From ae19c8ca2b69263aaa59b40da06b521fec3d3afb Mon Sep 17 00:00:00 2001 From: Aleix Lafita Date: Thu, 29 Jun 2017 16:03:42 -0700 Subject: [PATCH 001/821] Organize the MMTF tests --- .../io/mmtf/MmtfStructureReader.java | 2 + .../io/mmtf/MmtfStructureWriter.java | 5 +- .../structure/io/mmtf/TestBondFinding.java | 24 +- .../io/mmtf/TestMmtfPerformance.java | 19 +- .../structure/io/mmtf/TestMmtfRoundTrip.java | 21 +- .../io/mmtf/TestMmtfStructureReader.java | 65 + ...Mmtf.java => TestMmtfStructureWriter.java} | 55 +- .../nbio/structure/io/mmtf/TestMmtfUtils.java | 6 +- .../biojava/nbio/structure/io/mmtf/4CUP.cif | 3305 +++++++++++++++++ 9 files changed, 3449 insertions(+), 53 deletions(-) create mode 100644 biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java rename biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/{TestBasicMmtf.java => TestMmtfStructureWriter.java} (67%) create mode 100644 biojava-structure/src/test/resources/org/biojava/nbio/structure/io/mmtf/4CUP.cif diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java index 961a5a483f..7eb07e806a 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java @@ -47,6 +47,8 @@ * Should be ported to biojava code. * * @author Anthony Bradley + * @since 5.0 + * */ public class MmtfStructureReader implements StructureAdapterInterface, Serializable { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java index f8a2d13672..b47b2b1dcb 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java @@ -19,14 +19,15 @@ import org.rcsb.mmtf.dataholders.MmtfStructure; /** - * Class to take Biojava structure data and covert to the DataApi for encoding. + * Class to take Biojava structure data and covert to the DataApi for encoding. * Must implement all the functions in {@link StructureAdapterInterface}. + * * @author Anthony Bradley + * @since 5.0 * */ public class MmtfStructureWriter { - private StructureAdapterInterface mmtfDecoderInterface; /** diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java index 38ac99899b..e5580c4c94 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java @@ -21,37 +21,46 @@ /** * Test bond finding in BioJava + * * @author Anthony Bradley * */ public class TestBondFinding { /** - * Test that the bonds we are finding is consistenty. + * Test that the bonds we are finding are consistent. + * * @throws IOException * @throws StructureException */ @Test public void testInterGroupBonds() throws IOException, StructureException { + // Normal assertEquals(2236, getInterBonds("1QMZ")); + // Disulphide assertEquals(956, getInterBonds("2QWO")); + // Covalent ligand assertEquals(2294, getInterBonds("4QDV")); + // DNA assertEquals(22, getInterBonds("4XSN")); } /** - * Find all of the inter group bonds in a structure + * Find all of the inter group bonds in a structure. + * * @param pdbId the pdb id of the structure to determine * @return the number of inter group bonds (double counted) in a structure * @throws IOException * @throws StructureException */ - public int getInterBonds(String pdbId) throws IOException, StructureException{ + public int getInterBonds(String pdbId) throws IOException, StructureException { + + // Download parameters AtomCache cache = new AtomCache(); cache.setUseMmCif(true); cache.setFetchBehavior(FetchBehavior.FETCH_FILES); @@ -64,10 +73,13 @@ public int getInterBonds(String pdbId) throws IOException, StructureException{ dcc.checkDoFirstInstall(); cache.setFileParsingParams(params); StructureIO.setAtomCache(cache); - int counter =0; - // Now get the structure + + // Get the structure Structure newStruc = StructureIO.getStructure(pdbId); - // Now loop through the atoms + + int counter =0; + + // Loop through the atoms and count the bonds for(Chain c: newStruc.getChains()){ for(Group g: c.getAtomGroups()){ List theseAtoms = g.getAtoms(); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfPerformance.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfPerformance.java index 2f7b9cbe65..823ff20236 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfPerformance.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfPerformance.java @@ -1,31 +1,23 @@ package org.biojava.nbio.structure.io.mmtf; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.StructureIO; -import org.biojava.nbio.structure.TestStructureCrossReferences; import org.biojava.nbio.structure.io.PDBFileParser; -import org.biojava.nbio.structure.io.mmcif.AllChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.ChemCompProvider; import org.junit.Test; -import org.rcsb.mmtf.dataholders.MmtfStructure; -import org.rcsb.mmtf.decoder.ReaderUtils; import org.slf4j.Logger; import org.slf4j.LoggerFactory; import java.io.*; import java.net.URL; -import java.nio.file.Files; -import java.nio.file.Path; -import java.nio.file.Paths; import java.util.zip.GZIPInputStream; -import static org.junit.Assert.assertEquals; -import static org.junit.Assert.assertNotNull; import static org.junit.Assert.assertTrue; /** - * Created by andreas on 1/9/17. + * Test the performance of MMTF format in BioJava. + * + * @author Andreas Prlic + * on 1/9/17. + * */ public class TestMmtfPerformance { @@ -35,6 +27,7 @@ public class TestMmtfPerformance { // Returns the contents of the file in a byte array. public static byte[] getBytesFromFile(File file) throws IOException { + // Get the size of the file long length = file.length(); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java index e3ef070731..d22fae960d 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java @@ -24,6 +24,7 @@ /** * Tests to see if roundtripping of MMTF can be done. + * * @author Anthony Bradley * */ @@ -31,22 +32,29 @@ public class TestMmtfRoundTrip { /** * Test that we can round trip a simple structure. + * * @throws IOException an error reading the file * @throws StructureException an error parsing the structure */ @Test public void testRoundTrip() throws IOException, StructureException { + + // Load a structure in MMCIF format AtomCache cache = new AtomCache(); cache.setUseMmCif(true); ChemCompGroupFactory.setChemCompProvider(new DownloadChemCompProvider()); - StructureIO.setAtomCache(cache); Structure structure = StructureIO.getStructure("4CUP"); + + // Write the structure to a MMTF encoding AdapterToStructureData writerToEncoder = new AdapterToStructureData(); new MmtfStructureWriter(structure, writerToEncoder); + + // Load back the structure from the MMTF encoding MmtfStructureReader mmtfStructureReader = new MmtfStructureReader(); new StructureDataToAdapter(writerToEncoder, mmtfStructureReader); + assertTrue(checkIfAtomsSame(structure,mmtfStructureReader.getStructure())); } @@ -58,18 +66,23 @@ public void testRoundTrip() throws IOException, StructureException { * @return */ private boolean checkIfAtomsSame(Structure structOne, Structure structTwo) { + + // Check the same number of models int numModels = structOne.nrModels(); if(numModels!=structTwo.nrModels()){ System.out.println("Error - diff number models: "+structOne.getPDBCode()); return false; } + for(int i=0;i chainsOne = structOne.getChains(i); List chainsTwo = structTwo.getChains(i); if(chainsOne.size()!=chainsTwo.size()){ System.out.println("Error - diff number chains: "+structOne.getPDBCode()); return false; } + // Now make sure they're sorted in the right order sortChains(chainsOne, chainsTwo); // Check that each one has the same number of poly, non-poly and water chains @@ -182,8 +195,9 @@ else if(atomOne.getBonds().size()!=atomTwo.getBonds().size()){ } return true; } + /** - * Check both structures have the same number of poly,non-poly and water chains + * Check both structures have the same number of poly, non-poly and water chains * @param structOne the first structure * @param structTwo the second structure * @param i the model index @@ -193,8 +207,10 @@ private void checkDiffChains(Structure structOne, Structure structTwo, int i) { assertEquals(structOne.getNonPolyChains(i).size(), structTwo.getNonPolyChains(i).size()); assertEquals(structOne.getWaterChains(i).size(), structTwo.getWaterChains(i).size()); } + /** * Sort the atom based on PDB serial id + * * @param atomsOne the first list * @param atomsTwo the second list */ @@ -227,6 +243,7 @@ public int compare(Atom o1, Atom o2) { /** * Sort the chains based on chain id. + * * @param chainsOne the first list of chains * @param chainsTwo the second list of chains */ diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java new file mode 100644 index 0000000000..0f797bc55a --- /dev/null +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java @@ -0,0 +1,65 @@ +package org.biojava.nbio.structure.io.mmtf; + +import static org.junit.Assert.assertEquals; + +import java.io.IOException; +import java.nio.file.Paths; +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureIO; +import org.junit.Test; + +/** + * Test the Biojava MMTF reader. + * + * @author Anthony Bradley + * @author Aleix Lafita + * + */ +public class TestMmtfStructureReader { + + /** + * Test reading an MMTF file into a BioJava structure. + */ + @Test + public void testRead() throws IOException { + + // Get the MMTF file from the resources folder + ClassLoader classLoader = getClass().getClassLoader(); + String resource = "org/biojava/nbio/structure/io/mmtf/4CUP.mmtf"; + + // Load the structure into memory + Structure structure = MmtfActions.readFromFile(( + Paths.get(classLoader.getResource(resource).getPath()))); + + // Check header properties of the structure + assertEquals(structure.getPDBCode(), "4CUP"); + assertEquals(MmtfUtils.dateToIsoString(structure.getPDBHeader().getDepDate()), + "2014-03-21"); + + assertEquals(structure.getChains().size(), 6); + } + + /** + * Compare structures loaded from MMCIF and MMTF files. + */ + @Test + public void compareMmcif() throws IOException, StructureException { + + // Get the MMTF and MMCIF files from the resources folder + ClassLoader classLoader = getClass().getClassLoader(); + String resource = "org/biojava/nbio/structure/io/mmtf/4CUP"; + + // Load the structures into memory + Structure mmtf = StructureIO.getStructure(classLoader.getResource(resource).getPath() + ".mmtf"); + Structure mmcif = StructureIO.getStructure(classLoader.getResource(resource).getPath() + ".mmcif"); + + // Compare the SEQRES + assertEquals(mmcif.getChain("A").getSeqResSequence(), + mmtf.getChain("A").getSeqResSequence()); + + + + } + +} diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBasicMmtf.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureWriter.java similarity index 67% rename from biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBasicMmtf.java rename to biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureWriter.java index 5e91ff195e..0f7178abc4 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBasicMmtf.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureWriter.java @@ -1,10 +1,7 @@ package org.biojava.nbio.structure.io.mmtf; -import static org.junit.Assert.assertEquals; - import java.io.File; import java.io.IOException; -import java.nio.file.Paths; import java.util.ArrayList; import org.biojava.nbio.structure.AminoAcidImpl; @@ -25,63 +22,65 @@ import org.junit.rules.TemporaryFolder; /** - * Test that Biojava can read and write MMTF data. + * Test the Biojava MMTF writer. + * * @author Anthony Bradley + * @author Aleix Lafita * */ -public class TestBasicMmtf { +public class TestMmtfStructureWriter { - /** - * A test folder for testing writing files. - */ - @Rule - public TemporaryFolder testFolder = new TemporaryFolder(); - - - /** - * Test that Biojava can read a file from the file system. - * @throws IOException - */ - @Test - public void testRead() throws IOException { - ClassLoader classLoader = getClass().getClassLoader(); - Structure structure = MmtfActions.readFromFile((Paths.get(classLoader.getResource("org/biojava/nbio/structure/io/mmtf/4CUP.mmtf").getPath()))); - assertEquals(structure.getPDBCode(),"4CUP"); - assertEquals(structure.getChains().size(),6); - } + @Rule + public TemporaryFolder testFolder = new TemporaryFolder(); /** * Test the writing of Structure objects to a file. - * @throws IOException + * + * @throws IOException */ @Test public void testWrite() throws IOException { + + // Create a structure Structure structure = new StructureImpl(); + + // Add some header information PDBHeader pdbHeader = new PDBHeader(); pdbHeader.setExperimentalTechnique("X-RAY DIFFRACTION"); - structure.setEntityInfos(new ArrayList()); structure.setPDBHeader(pdbHeader); + + // Create one chain + structure.setEntityInfos(new ArrayList()); Chain chain = new ChainImpl(); chain.setId("A"); chain.setName("A"); - Group group = new AminoAcidImpl(); + + // Create one group + Group group = new AminoAcidImpl(); group.setPDBName("FKF"); ChemComp chemComp = new ChemComp(); chemComp.setType("TYPfdl"); chemComp.setOne_letter_code("A"); group.setChemComp(chemComp); + + // Create one Atom Atom atom = new AtomImpl(); atom.setName("A"); atom.setElement(Element.Ag); - atom.setCoords(new double[] {1.0,2.0,3.0}); + atom.setCoords(new double[] { 1.0, 2.0, 3.0 }); + + // Link together the objects chain.addGroup(group); group.addAtom(atom); + ResidueNumber residueNumber = new ResidueNumber(); residueNumber.setInsCode('A'); residueNumber.setSeqNum(100); group.setResidueNumber(residueNumber); + structure.addChain(chain); + File tempFile = testFolder.newFile("tmpfile"); - MmtfActions.writeToFile(structure, tempFile.toPath()); + MmtfActions.writeToFile(structure, tempFile.toPath()); } } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfUtils.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfUtils.java index af0db75615..3e5e2021df 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfUtils.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfUtils.java @@ -1,6 +1,5 @@ package org.biojava.nbio.structure.io.mmtf; - import org.junit.Test; import static org.junit.Assert.*; @@ -38,8 +37,10 @@ import org.biojava.nbio.structure.xtal.BravaisLattice; import org.biojava.nbio.structure.xtal.CrystalCell; import org.biojava.nbio.structure.xtal.SpaceGroup; + /** - * Test the MMTF utils class + * Test the MMTF utils class. + * * @author Anthony Bradley * */ @@ -47,6 +48,7 @@ public class TestMmtfUtils { /** * Integration test to see that the microheterogenity is being dealt with correctly. + * * @throws IOException * @throws StructureException */ diff --git a/biojava-structure/src/test/resources/org/biojava/nbio/structure/io/mmtf/4CUP.cif b/biojava-structure/src/test/resources/org/biojava/nbio/structure/io/mmtf/4CUP.cif new file mode 100644 index 0000000000..3f88049aa2 --- /dev/null +++ b/biojava-structure/src/test/resources/org/biojava/nbio/structure/io/mmtf/4CUP.cif @@ -0,0 +1,3305 @@ +data_4CUP +# +_entry.id 4CUP +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 4.040 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +PDB 4CUP +PDBE EBI-60082 +# +_database_PDB_rev.num 1 +_database_PDB_rev.date 2014-04-02 +_database_PDB_rev.date_original 2014-03-21 +_database_PDB_rev.status ? +_database_PDB_rev.replaces 4CUP +_database_PDB_rev.mod_type 0 +# +loop_ +_pdbx_database_related.db_name +_pdbx_database_related.db_id +_pdbx_database_related.content_type +_pdbx_database_related.details +PDB 4CUQ unspecified 'CRYSTAL STRUCTURE OF HUMAN BAZ2B IN COMPLEX WITH FRAGMENT-2 N09594' +PDB 4CUR unspecified 'CRYSTAL STRUCTURE OF HUMAN BAZ2B IN COMPLEX WITH FRAGMENT-3 N09555' +PDB 4CUS unspecified 'CRYSTAL STRUCTURE OF HUMAN BAZ2B IN COMPLEX WITH FRAGMENT-4 N09496' +PDB 4CUT unspecified 'CRYSTAL STRUCTURE OF HUMAN BAZ2B IN COMPLEX WITH FRAGMENT-5 N09428' +PDB 4CUU unspecified 'CRYSTAL STRUCTURE OF HUMAN BAZ2B IN COMPLEX WITH FRAGMENT-6 N09645' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 4CUP +_pdbx_database_status.deposit_site PDBE +_pdbx_database_status.process_site PDBE +_pdbx_database_status.SG_entry . +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Bradley, A.R.' 1 +'Liu, Y.' 2 +'Krojer, T.' 3 +'Bountra, C.' 4 +'Arrowsmith, C.H.' 5 +'Edwards, A.' 6 +'Knapp, S.' 7 +'von Delft, F.' 8 +# +_citation.id primary +_citation.title 'Crystal Structure of Human Baz2B in Complex with Fragment-1 N09421' +_citation.journal_abbrev 'To be Published' +_citation.journal_volume ? +_citation.page_first ? +_citation.page_last ? +_citation.year ? +_citation.journal_id_ASTM ? +_citation.country ? +_citation.journal_id_ISSN ? +_citation.journal_id_CSD 0353 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed ? +_citation.pdbx_database_id_DOI ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'R Bradley, A.' 1 +primary 'Liu, Y.' 2 +primary 'Krojer, T.' 3 +primary 'Bountra, C.' 4 +primary 'Arrowsmith, C.H.' 5 +primary 'Edwards, A.' 6 +primary 'Knapp, S.' 7 +primary 'Von Delft, F.' 8 +# +_cell.entry_id 4CUP +_cell.length_a 80.370 +_cell.length_b 96.120 +_cell.length_c 57.670 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 8 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 4CUP +_symmetry.space_group_name_H-M 'C 2 2 21' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.details +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +1 polymer man 'BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B' 13618.761 1 ? ? 'BROMODOMAIN, RESIDUES 1858-1972' ? +2 non-polymer syn 4-FLUOROBENZAMIDOXIME 154.144 1 ? ? ? ? +3 non-polymer syn METHANOL 32.042 3 ? ? ? ? +4 water nat water 18.015 146 ? ? ? ? +# +loop_ +_entity_keywords.entity_id +_entity_keywords.text +1 ? +2 ? +3 ? +4 ? +# +loop_ +_entity_name_com.entity_id +_entity_name_com.name +1 'HWALP4, BAZ2B' +2 ? +3 ? +4 ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVIKKPMDFSTIREKLSSGQYPNLETFALDVRL +VFDNCETFNEDDSDIGRAGHNMRKYFEKKWTDTFKVS +; +_entity_poly.pdbx_seq_one_letter_code_can +;SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVIKKPMDFSTIREKLSSGQYPNLETFALDVRL +VFDNCETFNEDDSDIGRAGHNMRKYFEKKWTDTFKVS +; +_entity_poly.pdbx_strand_id A +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 SER n +1 2 MET n +1 3 SER n +1 4 VAL n +1 5 LYS n +1 6 LYS n +1 7 PRO n +1 8 LYS n +1 9 ARG n +1 10 ASP n +1 11 ASP n +1 12 SER n +1 13 LYS n +1 14 ASP n +1 15 LEU n +1 16 ALA n +1 17 LEU n +1 18 CYS n +1 19 SER n +1 20 MET n +1 21 ILE n +1 22 LEU n +1 23 THR n +1 24 GLU n +1 25 MET n +1 26 GLU n +1 27 THR n +1 28 HIS n +1 29 GLU n +1 30 ASP n +1 31 ALA n +1 32 TRP n +1 33 PRO n +1 34 PHE n +1 35 LEU n +1 36 LEU n +1 37 PRO n +1 38 VAL n +1 39 ASN n +1 40 LEU n +1 41 LYS n +1 42 LEU n +1 43 VAL n +1 44 PRO n +1 45 GLY n +1 46 TYR n +1 47 LYS n +1 48 LYS n +1 49 VAL n +1 50 ILE n +1 51 LYS n +1 52 LYS n +1 53 PRO n +1 54 MET n +1 55 ASP n +1 56 PHE n +1 57 SER n +1 58 THR n +1 59 ILE n +1 60 ARG n +1 61 GLU n +1 62 LYS n +1 63 LEU n +1 64 SER n +1 65 SER n +1 66 GLY n +1 67 GLN n +1 68 TYR n +1 69 PRO n +1 70 ASN n +1 71 LEU n +1 72 GLU n +1 73 THR n +1 74 PHE n +1 75 ALA n +1 76 LEU n +1 77 ASP n +1 78 VAL n +1 79 ARG n +1 80 LEU n +1 81 VAL n +1 82 PHE n +1 83 ASP n +1 84 ASN n +1 85 CYS n +1 86 GLU n +1 87 THR n +1 88 PHE n +1 89 ASN n +1 90 GLU n +1 91 ASP n +1 92 ASP n +1 93 SER n +1 94 ASP n +1 95 ILE n +1 96 GLY n +1 97 ARG n +1 98 ALA n +1 99 GLY n +1 100 HIS n +1 101 ASN n +1 102 MET n +1 103 ARG n +1 104 LYS n +1 105 TYR n +1 106 PHE n +1 107 GLU n +1 108 LYS n +1 109 LYS n +1 110 TRP n +1 111 THR n +1 112 ASP n +1 113 THR n +1 114 PHE n +1 115 LYS n +1 116 VAL n +1 117 SER n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.gene_src_common_name HUMAN +_entity_src_gen.gene_src_genus ? +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'HOMO SAPIENS' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'ESCHERICHIA COLI' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 +_entity_src_gen.host_org_genus ? +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain 'BL21(DE3)' +_entity_src_gen.pdbx_host_org_variant R3 +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type PLASMID +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.plasmid_name PNIC28-BSA4 +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code BAZ2B_HUMAN +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code ? +_struct_ref.pdbx_align_begin ? +_struct_ref.biol_id . +_struct_ref.pdbx_db_accession Q9UIF8 +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 4CUP +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 3 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 117 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession Q9UIF8 +_struct_ref_seq.db_align_beg 1858 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 1972 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1858 +_struct_ref_seq.pdbx_auth_seq_align_end 1972 +# +loop_ +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_pdb_ins_code +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +_struct_ref_seq_dif.pdbx_ordinal +1 4CUP SER A 1 ? UNP Q9UIF8 ? ? 'EXPRESSION TAG' 1856 1 +1 4CUP MET A 2 ? UNP Q9UIF8 ? ? 'EXPRESSION TAG' 1857 2 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.207 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.147 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.197 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.132 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.210 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.104 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.174 +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.094 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.154 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.174 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.120 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.130 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.164 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.228 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.191 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 +GLY 'PEPTIDE LINKING' y GLYCINE ? 'C2 H5 N O2' 75.067 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 +ZYB NON-POLYMER . 4-FLUOROBENZAMIDOXIME ? 'C7 H7 F N2 O' 154.144 +MOH NON-POLYMER . METHANOL ? 'C H4 O' 32.042 +HOH NON-POLYMER . WATER ? 'H2 O' 18.015 +# +_exptl.entry_id 4CUP +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 4.3 +_exptl_crystal.density_percent_sol 70 +_exptl_crystal.description NONE +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method ? +_exptl_crystal_grow.temp ? +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 6.4 +_exptl_crystal_grow.pdbx_pH_range ? +_exptl_crystal_grow.pdbx_details '34% PEG SMEAR LOW, 0.1M MES PH 6.4' +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector 'PIXEL (PILATUS)' +_diffrn_detector.type DECTRIS +_diffrn_detector.pdbx_collection_date 2012-04-29 +_diffrn_detector.details ? +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.97 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'DIAMOND BEAMLINE I04' +_diffrn_source.pdbx_synchrotron_site DIAMOND +_diffrn_source.pdbx_synchrotron_beamline I04 +_diffrn_source.pdbx_wavelength 0.97 +_diffrn_source.pdbx_wavelength_list ? +# +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.entry_id 4CUP +_reflns.observed_criterion_sigma_I -3.0 +_reflns.observed_criterion_sigma_F ? +_reflns.d_resolution_low 32.97 +_reflns.d_resolution_high 1.88 +_reflns.number_obs 18470 +_reflns.number_all ? +_reflns.percent_possible_obs 99.5 +_reflns.pdbx_Rmerge_I_obs 0.06 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 16.20 +_reflns.B_iso_Wilson_estimate 26.58 +_reflns.pdbx_redundancy 5.4 +# +_reflns_shell.pdbx_diffrn_id 1 +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.d_res_high 1.88 +_reflns_shell.d_res_low 1.93 +_reflns_shell.percent_possible_all 98.6 +_reflns_shell.Rmerge_I_obs 0.74 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.meanI_over_sigI_obs 1.90 +_reflns_shell.pdbx_redundancy 4.8 +# +_computing.entry_id 4CUP +_computing.pdbx_data_reduction_ii XDS +_computing.pdbx_data_reduction_ds AIMLESS +_computing.data_collection ? +_computing.structure_solution ? +_computing.structure_refinement 'PHENIX (PHENIX.REFINE)' +_computing.pdbx_structure_refinement_method ? +# +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.entry_id 4CUP +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.ls_number_reflns_obs 18429 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 1.90 +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 18.538 +_refine.ls_d_res_high 1.880 +_refine.ls_percent_reflns_obs 99.44 +_refine.ls_R_factor_obs 0.1779 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.1763 +_refine.ls_R_factor_R_free 0.2078 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free 5.1 +_refine.ls_number_reflns_R_free 940 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[3][3] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][3] ? +_refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_solvent_vdw_probe_radii 1.11 +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii 0.90 +_refine.pdbx_ls_cross_valid_method ? +_refine.details ? +_refine.pdbx_starting_model ? +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_stereochemistry_target_values ML +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML 0.20 +_refine.pdbx_overall_phase_error 25.38 +_refine.overall_SU_B ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 924 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 17 +_refine_hist.number_atoms_solvent 146 +_refine_hist.number_atoms_total 1087 +_refine_hist.d_res_high 1.880 +_refine_hist.d_res_low 18.538 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +f_bond_d 0.006 ? ? 973 'X-RAY DIFFRACTION' ? +f_angle_d 0.898 ? ? 1309 'X-RAY DIFFRACTION' ? +f_dihedral_angle_d 12.740 ? ? 365 'X-RAY DIFFRACTION' ? +f_chiral_restr 0.034 ? ? 141 'X-RAY DIFFRACTION' ? +f_plane_restr 0.005 ? ? 168 'X-RAY DIFFRACTION' ? +# +loop_ +_refine_ls_shell.pdbx_refine_id +_refine_ls_shell.pdbx_total_number_of_bins_used +_refine_ls_shell.d_res_high +_refine_ls_shell.d_res_low +_refine_ls_shell.number_reflns_R_work +_refine_ls_shell.R_factor_R_work +_refine_ls_shell.percent_reflns_obs +_refine_ls_shell.R_factor_R_free +_refine_ls_shell.R_factor_R_free_error +_refine_ls_shell.percent_reflns_R_free +_refine_ls_shell.number_reflns_R_free +_refine_ls_shell.number_reflns_all +_refine_ls_shell.R_factor_all +'X-RAY DIFFRACTION' ? 1.8800 1.9790 2458 0.3152 99.00 0.3338 ? ? 133 ? ? +'X-RAY DIFFRACTION' ? 1.9790 2.1029 2430 0.2368 99.00 0.2971 ? ? 139 ? ? +'X-RAY DIFFRACTION' ? 2.1029 2.2650 2453 0.1915 99.00 0.2154 ? ? 138 ? ? +'X-RAY DIFFRACTION' ? 2.2650 2.4924 2496 0.1683 100.00 0.2131 ? ? 137 ? ? +'X-RAY DIFFRACTION' ? 2.4924 2.8519 2493 0.1662 100.00 0.2138 ? ? 138 ? ? +'X-RAY DIFFRACTION' ? 2.8519 3.5889 2505 0.1669 100.00 0.1748 ? ? 143 ? ? +'X-RAY DIFFRACTION' ? 3.5889 18.5386 2654 0.1558 100.00 0.1894 ? ? 112 ? ? +# +_struct.entry_id 4CUP +_struct.title 'Crystal structure of human BAZ2B in complex with fragment-1 N09421' +_struct.pdbx_descriptor 'BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 4CUP +_struct_keywords.pdbx_keywords TRANSCRIPTION +_struct_keywords.text TRANSCRIPTION +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 3 ? +E N N 3 ? +F N N 4 ? +# +_struct_biol.id 1 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 LYS A 13 ? HIS A 28 ? LYS A 1868 HIS A 1883 1 ? 16 +HELX_P HELX_P2 2 ALA A 31 ? LEU A 35 ? ALA A 1886 LEU A 1890 5 ? 5 +HELX_P HELX_P3 3 GLY A 45 ? ILE A 50 ? GLY A 1900 ILE A 1905 1 ? 6 +HELX_P HELX_P4 4 ASP A 55 ? SER A 65 ? ASP A 1910 SER A 1920 1 ? 11 +HELX_P HELX_P5 5 ASN A 70 ? ASN A 89 ? ASN A 1925 ASN A 1944 1 ? 20 +HELX_P HELX_P6 6 SER A 93 ? LYS A 115 ? SER A 1948 LYS A 1970 1 ? 23 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +_struct_site.id AC1 +_struct_site.details 'BINDING SITE FOR RESIDUE ZYB A 2971' +_struct_site.pdbx_evidence_code SOFTWARE +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 6 VAL A 43 ? VAL A 1898 . . 1_555 ? +2 AC1 6 PRO A 44 ? PRO A 1899 . . 4_566 ? +3 AC1 6 ASN A 89 ? ASN A 1944 . . 1_555 ? +4 AC1 6 ILE A 95 ? ILE A 1950 . . 1_555 ? +5 AC1 6 HOH F . ? HOH A 2072 . . 4_566 ? +6 AC1 6 HOH F . ? HOH A 2124 . . 1_555 ? +# +_database_PDB_matrix.entry_id 4CUP +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_atom_sites.entry_id 4CUP +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 0.012442 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.010404 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.017340 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +F +H +N +O +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x_esd +_atom_site.Cartn_y_esd +_atom_site.Cartn_z_esd +_atom_site.occupancy_esd +_atom_site.B_iso_or_equiv_esd +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . SER A 1 1 ? 50.346 19.287 17.288 1.00 32.02 ? ? ? ? ? ? 1856 SER A N 1 +ATOM 2 C CA . SER A 1 1 ? 50.745 19.964 16.058 1.00 34.08 ? ? ? ? ? ? 1856 SER A CA 1 +ATOM 3 C C . SER A 1 1 ? 50.691 18.998 14.887 1.00 35.85 ? ? ? ? ? ? 1856 SER A C 1 +ATOM 4 O O . SER A 1 1 ? 50.070 17.937 14.987 1.00 33.26 ? ? ? ? ? ? 1856 SER A O 1 +ATOM 5 C CB . SER A 1 1 ? 52.146 20.564 16.199 1.00 30.82 ? ? ? ? ? ? 1856 SER A CB 1 +ATOM 6 O OG . SER A 1 1 ? 53.116 19.545 16.371 1.00 32.50 ? ? ? ? ? ? 1856 SER A OG 1 +ATOM 7 N N . MET A 1 2 ? 51.330 19.363 13.776 1.00 35.47 ? ? ? ? ? ? 1857 MET A N 1 +ATOM 8 C CA . MET A 1 2 ? 51.310 18.508 12.593 1.00 36.62 ? ? ? ? ? ? 1857 MET A CA 1 +ATOM 9 C C . MET A 1 2 ? 51.837 17.105 12.904 1.00 32.24 ? ? ? ? ? ? 1857 MET A C 1 +ATOM 10 O O . MET A 1 2 ? 52.974 16.947 13.359 1.00 34.35 ? ? ? ? ? ? 1857 MET A O 1 +ATOM 11 C CB . MET A 1 2 ? 52.123 19.127 11.456 1.00 36.12 ? ? ? ? ? ? 1857 MET A CB 1 +ATOM 12 C CG . MET A 1 2 ? 51.875 18.454 10.119 1.00 37.34 ? ? ? ? ? ? 1857 MET A CG 1 +ATOM 13 S SD . MET A 1 2 ? 52.981 18.997 8.800 1.00 39.70 ? ? ? ? ? ? 1857 MET A SD 1 +ATOM 14 C CE . MET A 1 2 ? 52.932 20.770 8.993 1.00 36.58 ? ? ? ? ? ? 1857 MET A CE 1 +ATOM 15 N N . SER A 1 3 ? 50.992 16.104 12.654 1.00 35.27 ? ? ? ? ? ? 1858 SER A N 1 +ATOM 16 C CA . SER A 1 3 ? 51.276 14.687 12.929 1.00 35.35 ? ? ? ? ? ? 1858 SER A CA 1 +ATOM 17 C C . SER A 1 3 ? 51.511 14.388 14.413 1.00 36.48 ? ? ? ? ? ? 1858 SER A C 1 +ATOM 18 O O . SER A 1 3 ? 52.097 13.363 14.762 1.00 33.72 ? ? ? ? ? ? 1858 SER A O 1 +ATOM 19 C CB . SER A 1 3 ? 52.482 14.212 12.114 1.00 35.21 ? ? ? ? ? ? 1858 SER A CB 1 +ATOM 20 O OG . SER A 1 3 ? 52.279 14.436 10.727 1.00 35.86 ? ? ? ? ? ? 1858 SER A OG 1 +ATOM 21 N N . VAL A 1 4 ? 51.048 15.277 15.285 1.00 30.95 ? ? ? ? ? ? 1859 VAL A N 1 +ATOM 22 C CA . VAL A 1 4 ? 51.130 15.041 16.731 1.00 31.15 ? ? ? ? ? ? 1859 VAL A CA 1 +ATOM 23 C C . VAL A 1 4 ? 49.768 15.284 17.370 1.00 35.24 ? ? ? ? ? ? 1859 VAL A C 1 +ATOM 24 O O . VAL A 1 4 ? 49.410 16.424 17.672 1.00 36.46 ? ? ? ? ? ? 1859 VAL A O 1 +ATOM 25 C CB . VAL A 1 4 ? 52.177 15.945 17.413 1.00 31.83 ? ? ? ? ? ? 1859 VAL A CB 1 +ATOM 26 C CG1 . VAL A 1 4 ? 52.253 15.637 18.914 1.00 31.15 ? ? ? ? ? ? 1859 VAL A CG1 1 +ATOM 27 C CG2 . VAL A 1 4 ? 53.546 15.779 16.764 1.00 33.39 ? ? ? ? ? ? 1859 VAL A CG2 1 +ATOM 28 N N . LYS A 1 5 ? 49.005 14.214 17.571 1.00 42.36 ? ? ? ? ? ? 1860 LYS A N 1 +ATOM 29 C CA . LYS A 1 5 ? 47.636 14.345 18.058 1.00 45.72 ? ? ? ? ? ? 1860 LYS A CA 1 +ATOM 30 C C . LYS A 1 5 ? 47.418 13.675 19.410 1.00 44.41 ? ? ? ? ? ? 1860 LYS A C 1 +ATOM 31 O O . LYS A 1 5 ? 47.998 12.625 19.688 1.00 45.19 ? ? ? ? ? ? 1860 LYS A O 1 +ATOM 32 C CB . LYS A 1 5 ? 46.661 13.761 17.032 1.00 46.44 ? ? ? ? ? ? 1860 LYS A CB 1 +ATOM 33 C CG . LYS A 1 5 ? 46.603 14.552 15.731 1.00 61.31 ? ? ? ? ? ? 1860 LYS A CG 1 +ATOM 34 C CD . LYS A 1 5 ? 45.784 15.830 15.892 1.00 65.67 ? ? ? ? ? ? 1860 LYS A CD 1 +ATOM 35 C CE . LYS A 1 5 ? 46.118 16.850 14.820 1.00 68.56 ? ? ? ? ? ? 1860 LYS A CE 1 +ATOM 36 N NZ . LYS A 1 5 ? 47.383 17.565 15.134 1.00 71.00 ? ? ? ? ? ? 1860 LYS A NZ 1 +ATOM 37 N N . LYS A 1 6 ? 46.582 14.292 20.245 1.00 47.64 ? ? ? ? ? ? 1861 LYS A N 1 +ATOM 38 C CA . LYS A 1 6 ? 46.107 13.653 21.467 1.00 58.98 ? ? ? ? ? ? 1861 LYS A CA 1 +ATOM 39 C C . LYS A 1 6 ? 45.212 12.495 21.075 1.00 56.13 ? ? ? ? ? ? 1861 LYS A C 1 +ATOM 40 O O . LYS A 1 6 ? 44.629 12.513 19.990 1.00 58.78 ? ? ? ? ? ? 1861 LYS A O 1 +ATOM 41 C CB . LYS A 1 6 ? 45.323 14.628 22.354 1.00 69.74 ? ? ? ? ? ? 1861 LYS A CB 1 +ATOM 42 C CG . LYS A 1 6 ? 46.129 15.745 22.995 1.00 73.06 ? ? ? ? ? ? 1861 LYS A CG 1 +ATOM 43 C CD . LYS A 1 6 ? 45.315 16.398 24.110 1.00 76.41 ? ? ? ? ? ? 1861 LYS A CD 1 +ATOM 44 C CE . LYS A 1 6 ? 45.913 17.721 24.569 1.00 77.31 ? ? ? ? ? ? 1861 LYS A CE 1 +ATOM 45 N NZ . LYS A 1 6 ? 45.777 18.787 23.539 1.00 76.95 ? ? ? ? ? ? 1861 LYS A NZ 1 +ATOM 46 N N . PRO A 1 7 ? 45.102 11.484 21.949 1.00 56.20 ? ? ? ? ? ? 1862 PRO A N 1 +ATOM 47 C CA . PRO A 1 7 ? 44.136 10.405 21.727 1.00 60.79 ? ? ? ? ? ? 1862 PRO A CA 1 +ATOM 48 C C . PRO A 1 7 ? 42.751 10.956 21.409 1.00 65.14 ? ? ? ? ? ? 1862 PRO A C 1 +ATOM 49 O O . PRO A 1 7 ? 42.303 11.920 22.036 1.00 61.93 ? ? ? ? ? ? 1862 PRO A O 1 +ATOM 50 C CB . PRO A 1 7 ? 44.149 9.652 23.055 1.00 62.28 ? ? ? ? ? ? 1862 PRO A CB 1 +ATOM 51 C CG . PRO A 1 7 ? 45.547 9.829 23.540 1.00 62.61 ? ? ? ? ? ? 1862 PRO A CG 1 +ATOM 52 C CD . PRO A 1 7 ? 45.950 11.224 23.125 1.00 57.35 ? ? ? ? ? ? 1862 PRO A CD 1 +ATOM 53 N N . LYS A 1 8 ? 42.100 10.360 20.416 1.00 68.79 ? ? ? ? ? ? 1863 LYS A N 1 +ATOM 54 C CA . LYS A 1 8 ? 40.836 10.879 19.914 1.00 73.53 ? ? ? ? ? ? 1863 LYS A CA 1 +ATOM 55 C C . LYS A 1 8 ? 39.701 10.620 20.892 1.00 72.50 ? ? ? ? ? ? 1863 LYS A C 1 +ATOM 56 O O . LYS A 1 8 ? 39.396 9.473 21.215 1.00 73.78 ? ? ? ? ? ? 1863 LYS A O 1 +ATOM 57 C CB . LYS A 1 8 ? 40.507 10.266 18.550 1.00 73.63 ? ? ? ? ? ? 1863 LYS A CB 1 +ATOM 58 N N . ARG A 1 9 ? 39.091 11.698 21.369 1.00 70.21 ? ? ? ? ? ? 1864 ARG A N 1 +ATOM 59 C CA . ARG A 1 9 ? 37.895 11.604 22.190 1.00 69.66 ? ? ? ? ? ? 1864 ARG A CA 1 +ATOM 60 C C . ARG A 1 9 ? 36.694 11.259 21.314 1.00 70.65 ? ? ? ? ? ? 1864 ARG A C 1 +ATOM 61 O O . ARG A 1 9 ? 36.517 11.839 20.241 1.00 70.51 ? ? ? ? ? ? 1864 ARG A O 1 +ATOM 62 C CB . ARG A 1 9 ? 37.651 12.914 22.938 1.00 67.41 ? ? ? ? ? ? 1864 ARG A CB 1 +ATOM 63 C CG . ARG A 1 9 ? 36.356 12.937 23.721 1.00 64.44 ? ? ? ? ? ? 1864 ARG A CG 1 +ATOM 64 C CD . ARG A 1 9 ? 35.997 14.337 24.184 1.00 62.86 ? ? ? ? ? ? 1864 ARG A CD 1 +ATOM 65 N NE . ARG A 1 9 ? 34.678 14.349 24.805 1.00 62.84 ? ? ? ? ? ? 1864 ARG A NE 1 +ATOM 66 C CZ . ARG A 1 9 ? 33.550 14.599 24.151 1.00 65.98 ? ? ? ? ? ? 1864 ARG A CZ 1 +ATOM 67 N NH1 . ARG A 1 9 ? 33.579 14.880 22.855 1.00 71.46 ? ? ? ? ? ? 1864 ARG A NH1 1 +ATOM 68 N NH2 . ARG A 1 9 ? 32.392 14.578 24.795 1.00 67.66 ? ? ? ? ? ? 1864 ARG A NH2 1 +ATOM 69 N N . ASP A 1 10 ? 35.876 10.311 21.763 1.00 71.15 ? ? ? ? ? ? 1865 ASP A N 1 +ATOM 70 C CA . ASP A 1 10 ? 34.693 9.915 21.008 1.00 66.70 ? ? ? ? ? ? 1865 ASP A CA 1 +ATOM 71 C C . ASP A 1 10 ? 33.597 10.965 21.142 1.00 60.95 ? ? ? ? ? ? 1865 ASP A C 1 +ATOM 72 O O . ASP A 1 10 ? 32.969 11.089 22.191 1.00 62.37 ? ? ? ? ? ? 1865 ASP A O 1 +ATOM 73 C CB . ASP A 1 10 ? 34.183 8.548 21.472 1.00 71.14 ? ? ? ? ? ? 1865 ASP A CB 1 +ATOM 74 C CG . ASP A 1 10 ? 32.882 8.151 20.796 1.00 72.95 ? ? ? ? ? ? 1865 ASP A CG 1 +ATOM 75 O OD1 . ASP A 1 10 ? 32.567 8.705 19.717 1.00 65.36 ? ? ? ? ? ? 1865 ASP A OD1 1 +ATOM 76 O OD2 . ASP A 1 10 ? 32.173 7.280 21.343 1.00 74.36 ? ? ? ? ? ? 1865 ASP A OD2 1 +ATOM 77 N N . ASP A 1 11 ? 33.361 11.711 20.068 1.00 48.20 ? ? ? ? ? ? 1866 ASP A N 1 +ATOM 78 C CA . ASP A 1 11 ? 32.406 12.813 20.113 1.00 43.93 ? ? ? ? ? ? 1866 ASP A CA 1 +ATOM 79 C C . ASP A 1 11 ? 31.081 12.473 19.431 1.00 40.69 ? ? ? ? ? ? 1866 ASP A C 1 +ATOM 80 O O . ASP A 1 11 ? 30.235 13.348 19.233 1.00 41.33 ? ? ? ? ? ? 1866 ASP A O 1 +ATOM 81 C CB . ASP A 1 11 ? 33.020 14.063 19.472 1.00 47.30 ? ? ? ? ? ? 1866 ASP A CB 1 +ATOM 82 C CG . ASP A 1 11 ? 33.442 13.838 18.029 1.00 58.18 ? ? ? ? ? ? 1866 ASP A CG 1 +ATOM 83 O OD1 . ASP A 1 11 ? 33.545 12.666 17.610 1.00 64.93 ? ? ? ? ? ? 1866 ASP A OD1 1 +ATOM 84 O OD2 . ASP A 1 11 ? 33.681 14.834 17.313 1.00 64.43 ? ? ? ? ? ? 1866 ASP A OD2 1 +ATOM 85 N N . SER A 1 12 ? 30.896 11.200 19.096 1.00 44.14 ? ? ? ? ? ? 1867 SER A N 1 +ATOM 86 C CA . SER A 1 12 ? 29.765 10.775 18.275 1.00 43.67 ? ? ? ? ? ? 1867 SER A CA 1 +ATOM 87 C C . SER A 1 12 ? 28.422 10.980 18.960 1.00 42.67 ? ? ? ? ? ? 1867 SER A C 1 +ATOM 88 O O . SER A 1 12 ? 27.394 11.083 18.291 1.00 43.89 ? ? ? ? ? ? 1867 SER A O 1 +ATOM 89 C CB . SER A 1 12 ? 29.917 9.303 17.883 1.00 49.00 ? ? ? ? ? ? 1867 SER A CB 1 +ATOM 90 O OG . SER A 1 12 ? 29.813 8.468 19.024 1.00 54.91 ? ? ? ? ? ? 1867 SER A OG 1 +ATOM 91 N N . LYS A 1 13 ? 28.430 11.041 20.289 1.00 40.18 ? ? ? ? ? ? 1868 LYS A N 1 +ATOM 92 C CA . LYS A 1 13 ? 27.201 11.234 21.060 1.00 34.76 ? ? ? ? ? ? 1868 LYS A CA 1 +ATOM 93 C C . LYS A 1 13 ? 26.971 12.672 21.532 1.00 34.13 ? ? ? ? ? ? 1868 LYS A C 1 +ATOM 94 O O . LYS A 1 13 ? 25.970 12.949 22.194 1.00 35.15 ? ? ? ? ? ? 1868 LYS A O 1 +ATOM 95 C CB . LYS A 1 13 ? 27.201 10.318 22.285 1.00 36.58 ? ? ? ? ? ? 1868 LYS A CB 1 +ATOM 96 C CG . LYS A 1 13 ? 27.235 8.825 21.961 1.00 41.60 ? ? ? ? ? ? 1868 LYS A CG 1 +ATOM 97 C CD . LYS A 1 13 ? 27.236 8.002 23.238 1.00 58.66 ? ? ? ? ? ? 1868 LYS A CD 1 +ATOM 98 N N . ASP A 1 14 ? 27.893 13.577 21.220 1.00 36.26 ? ? ? ? ? ? 1869 ASP A N 1 +ATOM 99 C CA . ASP A 1 14 ? 27.801 14.944 21.749 1.00 33.90 ? ? ? ? ? ? 1869 ASP A CA 1 +ATOM 100 C C . ASP A 1 14 ? 26.513 15.639 21.331 1.00 36.45 ? ? ? ? ? ? 1869 ASP A C 1 +ATOM 101 O O . ASP A 1 14 ? 25.872 16.309 22.140 1.00 36.50 ? ? ? ? ? ? 1869 ASP A O 1 +ATOM 102 C CB . ASP A 1 14 ? 28.997 15.789 21.307 1.00 31.90 ? ? ? ? ? ? 1869 ASP A CB 1 +ATOM 103 C CG . ASP A 1 14 ? 30.280 15.382 21.990 1.00 43.01 ? ? ? ? ? ? 1869 ASP A CG 1 +ATOM 104 O OD1 . ASP A 1 14 ? 30.229 14.494 22.871 1.00 40.83 ? ? ? ? ? ? 1869 ASP A OD1 1 +ATOM 105 O OD2 . ASP A 1 14 ? 31.334 15.964 21.664 1.00 39.80 ? ? ? ? ? ? 1869 ASP A OD2 1 +ATOM 106 N N . LEU A 1 15 ? 26.130 15.476 20.069 1.00 32.79 ? ? ? ? ? ? 1870 LEU A N 1 +ATOM 107 C CA . LEU A 1 15 ? 24.940 16.138 19.558 1.00 32.80 ? ? ? ? ? ? 1870 LEU A CA 1 +ATOM 108 C C . LEU A 1 15 ? 23.701 15.689 20.336 1.00 35.75 ? ? ? ? ? ? 1870 LEU A C 1 +ATOM 109 O O . LEU A 1 15 ? 22.925 16.521 20.806 1.00 36.32 ? ? ? ? ? ? 1870 LEU A O 1 +ATOM 110 C CB . LEU A 1 15 ? 24.776 15.869 18.056 1.00 33.83 ? ? ? ? ? ? 1870 LEU A CB 1 +ATOM 111 C CG . LEU A 1 15 ? 23.582 16.530 17.365 1.00 31.69 ? ? ? ? ? ? 1870 LEU A CG 1 +ATOM 112 C CD1 . LEU A 1 15 ? 23.636 18.058 17.479 1.00 32.12 ? ? ? ? ? ? 1870 LEU A CD1 1 +ATOM 113 C CD2 . LEU A 1 15 ? 23.507 16.090 15.894 1.00 33.01 ? ? ? ? ? ? 1870 LEU A CD2 1 +ATOM 114 N N . ALA A 1 16 ? 23.540 14.380 20.504 1.00 34.82 ? ? ? ? ? ? 1871 ALA A N 1 +ATOM 115 C CA . ALA A 1 16 ? 22.419 13.834 21.269 1.00 36.97 ? ? ? ? ? ? 1871 ALA A CA 1 +ATOM 116 C C . ALA A 1 16 ? 22.444 14.286 22.729 1.00 37.20 ? ? ? ? ? ? 1871 ALA A C 1 +ATOM 117 O O . ALA A 1 16 ? 21.403 14.588 23.312 1.00 36.24 ? ? ? ? ? ? 1871 ALA A O 1 +ATOM 118 C CB . ALA A 1 16 ? 22.418 12.303 21.195 1.00 38.32 ? ? ? ? ? ? 1871 ALA A CB 1 +ATOM 119 N N . LEU A 1 17 ? 23.634 14.325 23.320 1.00 35.33 ? ? ? ? ? ? 1872 LEU A N 1 +ATOM 120 C CA . LEU A 1 17 ? 23.770 14.709 24.723 1.00 34.07 ? ? ? ? ? ? 1872 LEU A CA 1 +ATOM 121 C C . LEU A 1 17 ? 23.462 16.196 24.942 1.00 34.96 ? ? ? ? ? ? 1872 LEU A C 1 +ATOM 122 O O . LEU A 1 17 ? 22.828 16.574 25.930 1.00 37.32 ? ? ? ? ? ? 1872 LEU A O 1 +ATOM 123 C CB . LEU A 1 17 ? 25.175 14.377 25.229 1.00 35.88 ? ? ? ? ? ? 1872 LEU A CB 1 +ATOM 124 C CG . LEU A 1 17 ? 25.474 12.879 25.339 1.00 39.51 ? ? ? ? ? ? 1872 LEU A CG 1 +ATOM 125 C CD1 . LEU A 1 17 ? 26.935 12.631 25.680 1.00 39.12 ? ? ? ? ? ? 1872 LEU A CD1 1 +ATOM 126 C CD2 . LEU A 1 17 ? 24.560 12.228 26.367 1.00 44.69 ? ? ? ? ? ? 1872 LEU A CD2 1 +ATOM 127 N N . CYS A 1 18 ? 23.908 17.042 24.019 1.00 34.73 ? ? ? ? ? ? 1873 CYS A N 1 +ATOM 128 C CA . CYS A 1 18 ? 23.589 18.466 24.098 1.00 33.93 ? ? ? ? ? ? 1873 CYS A CA 1 +ATOM 129 C C . CYS A 1 18 ? 22.087 18.706 23.956 1.00 35.83 ? ? ? ? ? ? 1873 CYS A C 1 +ATOM 130 O O . CYS A 1 18 ? 21.515 19.559 24.648 1.00 32.57 ? ? ? ? ? ? 1873 CYS A O 1 +ATOM 131 C CB . CYS A 1 18 ? 24.360 19.249 23.033 1.00 32.12 ? ? ? ? ? ? 1873 CYS A CB 1 +ATOM 132 S SG . CYS A 1 18 ? 26.096 19.489 23.460 1.00 34.87 ? ? ? ? ? ? 1873 CYS A SG 1 +ATOM 133 N N . SER A 1 19 ? 21.456 17.945 23.063 1.00 31.48 ? ? ? ? ? ? 1874 SER A N 1 +ATOM 134 C CA . SER A 1 19 ? 20.009 18.011 22.874 1.00 29.68 ? ? ? ? ? ? 1874 SER A CA 1 +ATOM 135 C C . SER A 1 19 ? 19.281 17.609 24.153 1.00 31.01 ? ? ? ? ? ? 1874 SER A C 1 +ATOM 136 O O . SER A 1 19 ? 18.287 18.229 24.550 1.00 32.67 ? ? ? ? ? ? 1874 SER A O 1 +ATOM 137 C CB . SER A 1 19 ? 19.573 17.102 21.720 1.00 29.36 ? ? ? ? ? ? 1874 SER A CB 1 +ATOM 138 O OG . SER A 1 19 ? 18.157 17.090 21.603 1.00 37.19 ? ? ? ? ? ? 1874 SER A OG 1 +ATOM 139 N N . MET A 1 20 ? 19.779 16.554 24.786 1.00 32.48 ? ? ? ? ? ? 1875 MET A N 1 +ATOM 140 C CA . MET A 1 20 ? 19.235 16.095 26.056 1.00 34.40 ? ? ? ? ? ? 1875 MET A CA 1 +ATOM 141 C C . MET A 1 20 ? 19.314 17.198 27.110 1.00 34.75 ? ? ? ? ? ? 1875 MET A C 1 +ATOM 142 O O . MET A 1 20 ? 18.325 17.506 27.775 1.00 34.20 ? ? ? ? ? ? 1875 MET A O 1 +ATOM 143 C CB . MET A 1 20 ? 19.985 14.857 26.541 1.00 36.76 ? ? ? ? ? ? 1875 MET A CB 1 +ATOM 144 C CG . MET A 1 20 ? 19.603 14.413 27.948 1.00 46.65 ? ? ? ? ? ? 1875 MET A CG 1 +ATOM 145 S SD . MET A 1 20 ? 20.818 13.270 28.644 1.00 70.07 ? ? ? ? ? ? 1875 MET A SD 1 +ATOM 146 C CE . MET A 1 20 ? 22.116 14.422 29.100 1.00 61.11 ? ? ? ? ? ? 1875 MET A CE 1 +ATOM 147 N N . ILE A 1 21 ? 20.500 17.774 27.263 1.00 33.13 ? ? ? ? ? ? 1876 ILE A N 1 +ATOM 148 C CA . ILE A 1 21 ? 20.703 18.842 28.243 1.00 34.10 ? ? ? ? ? ? 1876 ILE A CA 1 +ATOM 149 C C . ILE A 1 21 ? 19.798 20.028 27.926 1.00 36.98 ? ? ? ? ? ? 1876 ILE A C 1 +ATOM 150 O O . ILE A 1 21 ? 19.167 20.590 28.820 1.00 31.38 ? ? ? ? ? ? 1876 ILE A O 1 +ATOM 151 C CB . ILE A 1 21 ? 22.178 19.300 28.292 1.00 32.28 ? ? ? ? ? ? 1876 ILE A CB 1 +ATOM 152 C CG1 . ILE A 1 21 ? 23.049 18.201 28.905 1.00 35.04 ? ? ? ? ? ? 1876 ILE A CG1 1 +ATOM 153 C CG2 . ILE A 1 21 ? 22.324 20.616 29.088 1.00 32.40 ? ? ? ? ? ? 1876 ILE A CG2 1 +ATOM 154 C CD1 . ILE A 1 21 ? 24.534 18.477 28.796 1.00 37.95 ? ? ? ? ? ? 1876 ILE A CD1 1 +ATOM 155 N N . LEU A 1 22 ? 19.709 20.387 26.647 1.00 34.79 ? ? ? ? ? ? 1877 LEU A N 1 +ATOM 156 C CA . LEU A 1 22 ? 18.880 21.519 26.252 1.00 31.03 ? ? ? ? ? ? 1877 LEU A CA 1 +ATOM 157 C C . LEU A 1 22 ? 17.412 21.245 26.591 1.00 28.71 ? ? ? ? ? ? 1877 LEU A C 1 +ATOM 158 O O . LEU A 1 22 ? 16.713 22.127 27.087 1.00 29.96 ? ? ? ? ? ? 1877 LEU A O 1 +ATOM 159 C CB . LEU A 1 22 ? 19.060 21.827 24.757 1.00 26.02 ? ? ? ? ? ? 1877 LEU A CB 1 +ATOM 160 C CG . LEU A 1 22 ? 18.305 23.039 24.209 1.00 30.76 ? ? ? ? ? ? 1877 LEU A CG 1 +ATOM 161 C CD1 . LEU A 1 22 ? 18.668 24.315 24.969 1.00 32.05 ? ? ? ? ? ? 1877 LEU A CD1 1 +ATOM 162 C CD2 . LEU A 1 22 ? 18.606 23.191 22.724 1.00 29.86 ? ? ? ? ? ? 1877 LEU A CD2 1 +ATOM 163 N N . THR A 1 23 ? 16.960 20.010 26.365 1.00 29.80 ? ? ? ? ? ? 1878 THR A N 1 +ATOM 164 C CA . THR A 1 23 ? 15.604 19.615 26.744 1.00 30.76 ? ? ? ? ? ? 1878 THR A CA 1 +ATOM 165 C C . THR A 1 23 ? 15.344 19.795 28.249 1.00 36.26 ? ? ? ? ? ? 1878 THR A C 1 +ATOM 166 O O . THR A 1 23 ? 14.270 20.242 28.658 1.00 34.92 ? ? ? ? ? ? 1878 THR A O 1 +ATOM 167 C CB . THR A 1 23 ? 15.326 18.162 26.348 1.00 40.24 ? ? ? ? ? ? 1878 THR A CB 1 +ATOM 168 O OG1 . THR A 1 23 ? 15.391 18.058 24.921 1.00 37.15 ? ? ? ? ? ? 1878 THR A OG1 1 +ATOM 169 C CG2 . THR A 1 23 ? 13.950 17.736 26.815 1.00 39.79 ? ? ? ? ? ? 1878 THR A CG2 1 +ATOM 170 N N . GLU A 1 24 ? 16.334 19.469 29.069 1.00 34.69 ? ? ? ? ? ? 1879 GLU A N 1 +ATOM 171 C CA . GLU A 1 24 ? 16.199 19.640 30.517 1.00 38.00 ? ? ? ? ? ? 1879 GLU A CA 1 +ATOM 172 C C . GLU A 1 24 ? 16.114 21.121 30.904 1.00 31.79 ? ? ? ? ? ? 1879 GLU A C 1 +ATOM 173 O O . GLU A 1 24 ? 15.377 21.491 31.814 1.00 31.13 ? ? ? ? ? ? 1879 GLU A O 1 +ATOM 174 C CB . GLU A 1 24 ? 17.362 18.971 31.239 1.00 34.00 ? ? ? ? ? ? 1879 GLU A CB 1 +ATOM 175 C CG . GLU A 1 24 ? 17.390 17.463 31.079 1.00 42.64 ? ? ? ? ? ? 1879 GLU A CG 1 +ATOM 176 C CD . GLU A 1 24 ? 18.576 16.834 31.775 1.00 57.52 ? ? ? ? ? ? 1879 GLU A CD 1 +ATOM 177 O OE1 . GLU A 1 24 ? 19.720 17.088 31.343 1.00 59.47 ? ? ? ? ? ? 1879 GLU A OE1 1 +ATOM 178 O OE2 . GLU A 1 24 ? 18.365 16.095 32.759 1.00 68.87 ? ? ? ? ? ? 1879 GLU A OE2 1 +ATOM 179 N N A MET A 1 25 ? 16.894 21.946 30.214 0.50 29.83 ? ? ? ? ? ? 1880 MET A N 1 +ATOM 180 N N B MET A 1 25 ? 16.861 21.973 30.215 0.50 30.08 ? ? ? ? ? ? 1880 MET A N 1 +ATOM 181 C CA A MET A 1 25 ? 16.841 23.392 30.395 0.50 32.58 ? ? ? ? ? ? 1880 MET A CA 1 +ATOM 182 C CA B MET A 1 25 ? 16.776 23.400 30.498 0.50 33.02 ? ? ? ? ? ? 1880 MET A CA 1 +ATOM 183 C C A MET A 1 25 ? 15.470 23.918 30.013 0.50 35.67 ? ? ? ? ? ? 1880 MET A C 1 +ATOM 184 C C B MET A 1 25 ? 15.465 23.980 29.993 0.50 35.47 ? ? ? ? ? ? 1880 MET A C 1 +ATOM 185 O O A MET A 1 25 ? 14.851 24.668 30.763 0.50 33.66 ? ? ? ? ? ? 1880 MET A O 1 +ATOM 186 O O B MET A 1 25 ? 14.881 24.839 30.646 0.50 33.82 ? ? ? ? ? ? 1880 MET A O 1 +ATOM 187 C CB A MET A 1 25 ? 17.914 24.079 29.553 0.50 27.06 ? ? ? ? ? ? 1880 MET A CB 1 +ATOM 188 C CB B MET A 1 25 ? 17.952 24.144 29.886 0.50 29.17 ? ? ? ? ? ? 1880 MET A CB 1 +ATOM 189 C CG A MET A 1 25 ? 19.311 23.593 29.839 0.50 35.88 ? ? ? ? ? ? 1880 MET A CG 1 +ATOM 190 C CG B MET A 1 25 ? 19.275 23.710 30.456 0.50 37.28 ? ? ? ? ? ? 1880 MET A CG 1 +ATOM 191 S SD A MET A 1 25 ? 19.882 24.127 31.457 0.50 28.14 ? ? ? ? ? ? 1880 MET A SD 1 +ATOM 192 S SD B MET A 1 25 ? 20.611 24.675 29.769 0.50 50.99 ? ? ? ? ? ? 1880 MET A SD 1 +ATOM 193 C CE A MET A 1 25 ? 20.137 25.867 31.121 0.50 39.07 ? ? ? ? ? ? 1880 MET A CE 1 +ATOM 194 C CE B MET A 1 25 ? 20.256 26.231 30.541 0.50 42.98 ? ? ? ? ? ? 1880 MET A CE 1 +ATOM 195 N N . GLU A 1 26 ? 15.004 23.503 28.839 1.00 31.13 ? ? ? ? ? ? 1881 GLU A N 1 +ATOM 196 C CA . GLU A 1 26 ? 13.712 23.922 28.308 1.00 29.36 ? ? ? ? ? ? 1881 GLU A CA 1 +ATOM 197 C C . GLU A 1 26 ? 12.547 23.576 29.227 1.00 34.55 ? ? ? ? ? ? 1881 GLU A C 1 +ATOM 198 O O . GLU A 1 26 ? 11.561 24.305 29.284 1.00 32.96 ? ? ? ? ? ? 1881 GLU A O 1 +ATOM 199 C CB . GLU A 1 26 ? 13.474 23.286 26.935 1.00 32.30 ? ? ? ? ? ? 1881 GLU A CB 1 +ATOM 200 C CG . GLU A 1 26 ? 14.297 23.903 25.821 1.00 33.09 ? ? ? ? ? ? 1881 GLU A CG 1 +ATOM 201 C CD . GLU A 1 26 ? 14.350 23.025 24.574 1.00 38.42 ? ? ? ? ? ? 1881 GLU A CD 1 +ATOM 202 O OE1 . GLU A 1 26 ? 13.998 21.829 24.664 1.00 39.73 ? ? ? ? ? ? 1881 GLU A OE1 1 +ATOM 203 O OE2 . GLU A 1 26 ? 14.760 23.530 23.510 1.00 45.56 ? ? ? ? ? ? 1881 GLU A OE2 1 +ATOM 204 N N . THR A 1 27 ? 12.651 22.460 29.945 1.00 25.47 ? ? ? ? ? ? 1882 THR A N 1 +ATOM 205 C CA . THR A 1 27 ? 11.531 22.002 30.761 1.00 30.27 ? ? ? ? ? ? 1882 THR A CA 1 +ATOM 206 C C . THR A 1 27 ? 11.632 22.451 32.232 1.00 31.67 ? ? ? ? ? ? 1882 THR A C 1 +ATOM 207 O O . THR A 1 27 ? 10.696 22.263 33.008 1.00 34.96 ? ? ? ? ? ? 1882 THR A O 1 +ATOM 208 C CB . THR A 1 27 ? 11.394 20.460 30.692 1.00 33.67 ? ? ? ? ? ? 1882 THR A CB 1 +ATOM 209 O OG1 . THR A 1 27 ? 12.640 19.855 31.035 1.00 38.66 ? ? ? ? ? ? 1882 THR A OG1 1 +ATOM 210 C CG2 . THR A 1 27 ? 11.036 20.041 29.285 1.00 37.00 ? ? ? ? ? ? 1882 THR A CG2 1 +ATOM 211 N N . HIS A 1 28 ? 12.760 23.047 32.605 1.00 29.70 ? ? ? ? ? ? 1883 HIS A N 1 +ATOM 212 C CA . HIS A 1 28 ? 12.923 23.639 33.936 1.00 32.25 ? ? ? ? ? ? 1883 HIS A CA 1 +ATOM 213 C C . HIS A 1 28 ? 11.846 24.700 34.183 1.00 36.99 ? ? ? ? ? ? 1883 HIS A C 1 +ATOM 214 O O . HIS A 1 28 ? 11.529 25.487 33.293 1.00 30.64 ? ? ? ? ? ? 1883 HIS A O 1 +ATOM 215 C CB . HIS A 1 28 ? 14.320 24.251 34.061 1.00 30.48 ? ? ? ? ? ? 1883 HIS A CB 1 +ATOM 216 C CG . HIS A 1 28 ? 14.718 24.603 35.462 1.00 33.35 ? ? ? ? ? ? 1883 HIS A CG 1 +ATOM 217 N ND1 . HIS A 1 28 ? 14.036 25.526 36.223 1.00 36.28 ? ? ? ? ? ? 1883 HIS A ND1 1 +ATOM 218 C CD2 . HIS A 1 28 ? 15.757 24.182 36.222 1.00 30.70 ? ? ? ? ? ? 1883 HIS A CD2 1 +ATOM 219 C CE1 . HIS A 1 28 ? 14.626 25.647 37.401 1.00 34.92 ? ? ? ? ? ? 1883 HIS A CE1 1 +ATOM 220 N NE2 . HIS A 1 28 ? 15.672 24.843 37.425 1.00 39.78 ? ? ? ? ? ? 1883 HIS A NE2 1 +ATOM 221 N N . GLU A 1 29 ? 11.278 24.738 35.385 1.00 34.00 ? ? ? ? ? ? 1884 GLU A N 1 +ATOM 222 C CA . GLU A 1 29 ? 10.160 25.645 35.622 1.00 35.82 ? ? ? ? ? ? 1884 GLU A CA 1 +ATOM 223 C C . GLU A 1 29 ? 10.586 27.122 35.551 1.00 34.04 ? ? ? ? ? ? 1884 GLU A C 1 +ATOM 224 O O . GLU A 1 29 ? 9.746 28.004 35.369 1.00 36.46 ? ? ? ? ? ? 1884 GLU A O 1 +ATOM 225 C CB . GLU A 1 29 ? 9.483 25.343 36.969 1.00 49.90 ? ? ? ? ? ? 1884 GLU A CB 1 +ATOM 226 C CG . GLU A 1 29 ? 10.188 25.869 38.208 1.00 53.04 ? ? ? ? ? ? 1884 GLU A CG 1 +ATOM 227 C CD . GLU A 1 29 ? 9.307 25.790 39.459 1.00 68.03 ? ? ? ? ? ? 1884 GLU A CD 1 +ATOM 228 O OE1 . GLU A 1 29 ? 8.420 26.658 39.624 1.00 64.96 ? ? ? ? ? ? 1884 GLU A OE1 1 +ATOM 229 O OE2 . GLU A 1 29 ? 9.501 24.864 40.281 1.00 72.50 ? ? ? ? ? ? 1884 GLU A OE2 1 +ATOM 230 N N . ASP A 1 30 ? 11.882 27.391 35.668 1.00 30.65 ? ? ? ? ? ? 1885 ASP A N 1 +ATOM 231 C CA . ASP A 1 30 ? 12.369 28.766 35.569 1.00 33.88 ? ? ? ? ? ? 1885 ASP A CA 1 +ATOM 232 C C . ASP A 1 30 ? 12.913 29.088 34.175 1.00 33.81 ? ? ? ? ? ? 1885 ASP A C 1 +ATOM 233 O O . ASP A 1 30 ? 13.650 30.056 34.003 1.00 27.56 ? ? ? ? ? ? 1885 ASP A O 1 +ATOM 234 C CB . ASP A 1 30 ? 13.463 29.036 36.605 1.00 28.96 ? ? ? ? ? ? 1885 ASP A CB 1 +ATOM 235 C CG . ASP A 1 30 ? 12.966 28.918 38.042 1.00 31.94 ? ? ? ? ? ? 1885 ASP A CG 1 +ATOM 236 O OD1 . ASP A 1 30 ? 11.742 28.962 38.296 1.00 35.25 ? ? ? ? ? ? 1885 ASP A OD1 1 +ATOM 237 O OD2 . ASP A 1 30 ? 13.827 28.805 38.927 1.00 32.07 ? ? ? ? ? ? 1885 ASP A OD2 1 +ATOM 238 N N . ALA A 1 31 ? 12.558 28.279 33.181 1.00 29.61 ? ? ? ? ? ? 1886 ALA A N 1 +ATOM 239 C CA . ALA A 1 31 ? 13.059 28.492 31.823 1.00 28.61 ? ? ? ? ? ? 1886 ALA A CA 1 +ATOM 240 C C . ALA A 1 31 ? 12.324 29.611 31.095 1.00 26.63 ? ? ? ? ? ? 1886 ALA A C 1 +ATOM 241 O O . ALA A 1 31 ? 12.806 30.122 30.092 1.00 31.44 ? ? ? ? ? ? 1886 ALA A O 1 +ATOM 242 C CB . ALA A 1 31 ? 12.955 27.206 31.015 1.00 29.69 ? ? ? ? ? ? 1886 ALA A CB 1 +ATOM 243 N N . TRP A 1 32 ? 11.158 29.990 31.607 1.00 29.05 ? ? ? ? ? ? 1887 TRP A N 1 +ATOM 244 C CA . TRP A 1 32 ? 10.261 30.870 30.869 1.00 32.31 ? ? ? ? ? ? 1887 TRP A CA 1 +ATOM 245 C C . TRP A 1 32 ? 10.870 32.201 30.396 1.00 33.67 ? ? ? ? ? ? 1887 TRP A C 1 +ATOM 246 O O . TRP A 1 32 ? 10.483 32.682 29.337 1.00 34.21 ? ? ? ? ? ? 1887 TRP A O 1 +ATOM 247 C CB . TRP A 1 32 ? 8.996 31.146 31.691 1.00 34.38 ? ? ? ? ? ? 1887 TRP A CB 1 +ATOM 248 C CG . TRP A 1 32 ? 9.226 31.762 33.047 1.00 33.00 ? ? ? ? ? ? 1887 TRP A CG 1 +ATOM 249 C CD1 . TRP A 1 32 ? 9.416 31.096 34.231 1.00 28.53 ? ? ? ? ? ? 1887 TRP A CD1 1 +ATOM 250 C CD2 . TRP A 1 32 ? 9.259 33.161 33.360 1.00 34.53 ? ? ? ? ? ? 1887 TRP A CD2 1 +ATOM 251 N NE1 . TRP A 1 32 ? 9.578 32.000 35.257 1.00 30.56 ? ? ? ? ? ? 1887 TRP A NE1 1 +ATOM 252 C CE2 . TRP A 1 32 ? 9.492 33.273 34.749 1.00 35.49 ? ? ? ? ? ? 1887 TRP A CE2 1 +ATOM 253 C CE3 . TRP A 1 32 ? 9.139 34.330 32.600 1.00 33.60 ? ? ? ? ? ? 1887 TRP A CE3 1 +ATOM 254 C CZ2 . TRP A 1 32 ? 9.594 34.509 35.394 1.00 35.74 ? ? ? ? ? ? 1887 TRP A CZ2 1 +ATOM 255 C CZ3 . TRP A 1 32 ? 9.239 35.559 33.242 1.00 34.23 ? ? ? ? ? ? 1887 TRP A CZ3 1 +ATOM 256 C CH2 . TRP A 1 32 ? 9.463 35.638 34.625 1.00 35.07 ? ? ? ? ? ? 1887 TRP A CH2 1 +ATOM 257 N N . PRO A 1 33 ? 11.829 32.792 31.146 1.00 28.38 ? ? ? ? ? ? 1888 PRO A N 1 +ATOM 258 C CA . PRO A 1 33 ? 12.350 34.041 30.578 1.00 27.50 ? ? ? ? ? ? 1888 PRO A CA 1 +ATOM 259 C C . PRO A 1 33 ? 13.239 33.826 29.347 1.00 26.54 ? ? ? ? ? ? 1888 PRO A C 1 +ATOM 260 O O . PRO A 1 33 ? 13.584 34.806 28.679 1.00 27.61 ? ? ? ? ? ? 1888 PRO A O 1 +ATOM 261 C CB . PRO A 1 33 ? 13.180 34.638 31.733 1.00 28.19 ? ? ? ? ? ? 1888 PRO A CB 1 +ATOM 262 C CG . PRO A 1 33 ? 12.712 33.929 32.972 1.00 28.71 ? ? ? ? ? ? 1888 PRO A CG 1 +ATOM 263 C CD . PRO A 1 33 ? 12.373 32.550 32.496 1.00 25.46 ? ? ? ? ? ? 1888 PRO A CD 1 +ATOM 264 N N . PHE A 1 34 ? 13.588 32.572 29.062 1.00 28.06 ? ? ? ? ? ? 1889 PHE A N 1 +ATOM 265 C CA . PHE A 1 34 ? 14.655 32.264 28.111 1.00 27.14 ? ? ? ? ? ? 1889 PHE A CA 1 +ATOM 266 C C . PHE A 1 34 ? 14.199 31.419 26.939 1.00 26.62 ? ? ? ? ? ? 1889 PHE A C 1 +ATOM 267 O O . PHE A 1 34 ? 15.010 31.052 26.090 1.00 27.89 ? ? ? ? ? ? 1889 PHE A O 1 +ATOM 268 C CB . PHE A 1 34 ? 15.799 31.547 28.835 1.00 30.41 ? ? ? ? ? ? 1889 PHE A CB 1 +ATOM 269 C CG . PHE A 1 34 ? 16.170 32.186 30.136 1.00 29.02 ? ? ? ? ? ? 1889 PHE A CG 1 +ATOM 270 C CD1 . PHE A 1 34 ? 16.737 33.452 30.154 1.00 28.32 ? ? ? ? ? ? 1889 PHE A CD1 1 +ATOM 271 C CD2 . PHE A 1 34 ? 15.933 31.541 31.339 1.00 26.75 ? ? ? ? ? ? 1889 PHE A CD2 1 +ATOM 272 C CE1 . PHE A 1 34 ? 17.069 34.073 31.359 1.00 27.87 ? ? ? ? ? ? 1889 PHE A CE1 1 +ATOM 273 C CE2 . PHE A 1 34 ? 16.267 32.147 32.548 1.00 28.96 ? ? ? ? ? ? 1889 PHE A CE2 1 +ATOM 274 C CZ . PHE A 1 34 ? 16.840 33.419 32.556 1.00 30.62 ? ? ? ? ? ? 1889 PHE A CZ 1 +ATOM 275 N N . LEU A 1 35 ? 12.913 31.083 26.901 1.00 27.89 ? ? ? ? ? ? 1890 LEU A N 1 +ATOM 276 C CA . LEU A 1 35 ? 12.435 30.097 25.937 1.00 31.41 ? ? ? ? ? ? 1890 LEU A CA 1 +ATOM 277 C C . LEU A 1 35 ? 12.409 30.654 24.523 1.00 36.61 ? ? ? ? ? ? 1890 LEU A C 1 +ATOM 278 O O . LEU A 1 35 ? 12.694 29.937 23.567 1.00 29.63 ? ? ? ? ? ? 1890 LEU A O 1 +ATOM 279 C CB . LEU A 1 35 ? 11.042 29.594 26.326 1.00 29.84 ? ? ? ? ? ? 1890 LEU A CB 1 +ATOM 280 C CG . LEU A 1 35 ? 11.004 28.701 27.566 1.00 32.90 ? ? ? ? ? ? 1890 LEU A CG 1 +ATOM 281 C CD1 . LEU A 1 35 ? 9.569 28.385 27.953 1.00 34.21 ? ? ? ? ? ? 1890 LEU A CD1 1 +ATOM 282 C CD2 . LEU A 1 35 ? 11.793 27.421 27.314 1.00 39.56 ? ? ? ? ? ? 1890 LEU A CD2 1 +ATOM 283 N N . LEU A 1 36 ? 12.075 31.934 24.407 1.00 28.94 ? ? ? ? ? ? 1891 LEU A N 1 +ATOM 284 C CA . LEU A 1 36 ? 11.895 32.575 23.112 1.00 30.89 ? ? ? ? ? ? 1891 LEU A CA 1 +ATOM 285 C C . LEU A 1 36 ? 12.724 33.845 23.030 1.00 33.60 ? ? ? ? ? ? 1891 LEU A C 1 +ATOM 286 O O . LEU A 1 36 ? 13.086 34.417 24.064 1.00 29.30 ? ? ? ? ? ? 1891 LEU A O 1 +ATOM 287 C CB . LEU A 1 36 ? 10.419 32.893 22.884 1.00 35.28 ? ? ? ? ? ? 1891 LEU A CB 1 +ATOM 288 C CG . LEU A 1 36 ? 9.467 31.700 22.830 1.00 35.57 ? ? ? ? ? ? 1891 LEU A CG 1 +ATOM 289 C CD1 . LEU A 1 36 ? 8.034 32.196 22.731 1.00 39.91 ? ? ? ? ? ? 1891 LEU A CD1 1 +ATOM 290 C CD2 . LEU A 1 36 ? 9.805 30.796 21.657 1.00 41.14 ? ? ? ? ? ? 1891 LEU A CD2 1 +ATOM 291 N N . PRO A 1 37 ? 13.034 34.296 21.801 1.00 29.55 ? ? ? ? ? ? 1892 PRO A N 1 +ATOM 292 C CA . PRO A 1 37 ? 13.814 35.533 21.691 1.00 27.16 ? ? ? ? ? ? 1892 PRO A CA 1 +ATOM 293 C C . PRO A 1 37 ? 13.045 36.734 22.242 1.00 25.28 ? ? ? ? ? ? 1892 PRO A C 1 +ATOM 294 O O . PRO A 1 37 ? 11.820 36.781 22.132 1.00 30.03 ? ? ? ? ? ? 1892 PRO A O 1 +ATOM 295 C CB . PRO A 1 37 ? 14.056 35.674 20.176 1.00 31.06 ? ? ? ? ? ? 1892 PRO A CB 1 +ATOM 296 C CG . PRO A 1 37 ? 13.058 34.797 19.530 1.00 30.15 ? ? ? ? ? ? 1892 PRO A CG 1 +ATOM 297 C CD . PRO A 1 37 ? 12.741 33.696 20.481 1.00 27.23 ? ? ? ? ? ? 1892 PRO A CD 1 +ATOM 298 N N . VAL A 1 38 ? 13.758 37.666 22.864 1.00 29.36 ? ? ? ? ? ? 1893 VAL A N 1 +ATOM 299 C CA . VAL A 1 38 ? 13.161 38.932 23.290 1.00 31.65 ? ? ? ? ? ? 1893 VAL A CA 1 +ATOM 300 C C . VAL A 1 38 ? 12.647 39.692 22.076 1.00 39.03 ? ? ? ? ? ? 1893 VAL A C 1 +ATOM 301 O O . VAL A 1 38 ? 13.336 39.764 21.056 1.00 37.18 ? ? ? ? ? ? 1893 VAL A O 1 +ATOM 302 C CB . VAL A 1 38 ? 14.175 39.803 24.058 1.00 35.58 ? ? ? ? ? ? 1893 VAL A CB 1 +ATOM 303 C CG1 . VAL A 1 38 ? 13.634 41.215 24.274 1.00 37.63 ? ? ? ? ? ? 1893 VAL A CG1 1 +ATOM 304 C CG2 . VAL A 1 38 ? 14.528 39.150 25.388 1.00 34.79 ? ? ? ? ? ? 1893 VAL A CG2 1 +ATOM 305 N N . ASN A 1 39 ? 11.425 40.216 22.168 1.00 39.34 ? ? ? ? ? ? 1894 ASN A N 1 +ATOM 306 C CA . ASN A 1 39 ? 10.860 41.038 21.102 1.00 47.30 ? ? ? ? ? ? 1894 ASN A CA 1 +ATOM 307 C C . ASN A 1 39 ? 11.486 42.426 21.145 1.00 43.68 ? ? ? ? ? ? 1894 ASN A C 1 +ATOM 308 O O . ASN A 1 39 ? 11.179 43.228 22.023 1.00 43.55 ? ? ? ? ? ? 1894 ASN A O 1 +ATOM 309 C CB . ASN A 1 39 ? 9.335 41.130 21.229 1.00 47.40 ? ? ? ? ? ? 1894 ASN A CB 1 +ATOM 310 C CG . ASN A 1 39 ? 8.686 41.844 20.053 1.00 50.62 ? ? ? ? ? ? 1894 ASN A CG 1 +ATOM 311 O OD1 . ASN A 1 39 ? 9.260 42.764 19.468 1.00 51.95 ? ? ? ? ? ? 1894 ASN A OD1 1 +ATOM 312 N ND2 . ASN A 1 39 ? 7.479 41.424 19.705 1.00 48.95 ? ? ? ? ? ? 1894 ASN A ND2 1 +ATOM 313 N N . LEU A 1 40 ? 12.356 42.701 20.179 1.00 42.52 ? ? ? ? ? ? 1895 LEU A N 1 +ATOM 314 C CA . LEU A 1 40 ? 13.168 43.910 20.186 1.00 40.45 ? ? ? ? ? ? 1895 LEU A CA 1 +ATOM 315 C C . LEU A 1 40 ? 12.364 45.167 19.869 1.00 41.59 ? ? ? ? ? ? 1895 LEU A C 1 +ATOM 316 O O . LEU A 1 40 ? 12.845 46.289 20.060 1.00 40.45 ? ? ? ? ? ? 1895 LEU A O 1 +ATOM 317 C CB . LEU A 1 40 ? 14.322 43.760 19.193 1.00 42.57 ? ? ? ? ? ? 1895 LEU A CB 1 +ATOM 318 C CG . LEU A 1 40 ? 15.246 42.566 19.440 1.00 44.45 ? ? ? ? ? ? 1895 LEU A CG 1 +ATOM 319 C CD1 . LEU A 1 40 ? 16.345 42.506 18.379 1.00 48.93 ? ? ? ? ? ? 1895 LEU A CD1 1 +ATOM 320 C CD2 . LEU A 1 40 ? 15.835 42.620 20.854 1.00 40.29 ? ? ? ? ? ? 1895 LEU A CD2 1 +ATOM 321 N N . LYS A 1 41 ? 11.138 44.982 19.391 1.00 49.11 ? ? ? ? ? ? 1896 LYS A N 1 +ATOM 322 C CA . LYS A 1 41 ? 10.271 46.113 19.099 1.00 57.85 ? ? ? ? ? ? 1896 LYS A CA 1 +ATOM 323 C C . LYS A 1 41 ? 9.396 46.467 20.298 1.00 58.57 ? ? ? ? ? ? 1896 LYS A C 1 +ATOM 324 O O . LYS A 1 41 ? 8.780 47.529 20.324 1.00 58.04 ? ? ? ? ? ? 1896 LYS A O 1 +ATOM 325 C CB . LYS A 1 41 ? 9.395 45.822 17.876 1.00 61.41 ? ? ? ? ? ? 1896 LYS A CB 1 +ATOM 326 C CG . LYS A 1 41 ? 10.183 45.455 16.627 1.00 66.66 ? ? ? ? ? ? 1896 LYS A CG 1 +ATOM 327 C CD . LYS A 1 41 ? 9.506 45.982 15.364 1.00 80.59 ? ? ? ? ? ? 1896 LYS A CD 1 +ATOM 328 C CE . LYS A 1 41 ? 8.207 45.248 15.057 1.00 89.11 ? ? ? ? ? ? 1896 LYS A CE 1 +ATOM 329 N NZ . LYS A 1 41 ? 8.440 43.883 14.504 1.00 90.85 ? ? ? ? ? ? 1896 LYS A NZ 1 +ATOM 330 N N . LEU A 1 42 ? 9.344 45.589 21.296 1.00 51.72 ? ? ? ? ? ? 1897 LEU A N 1 +ATOM 331 C CA . LEU A 1 42 ? 8.461 45.825 22.437 1.00 56.54 ? ? ? ? ? ? 1897 LEU A CA 1 +ATOM 332 C C . LEU A 1 42 ? 9.205 46.067 23.744 1.00 55.52 ? ? ? ? ? ? 1897 LEU A C 1 +ATOM 333 O O . LEU A 1 42 ? 8.626 46.570 24.704 1.00 60.78 ? ? ? ? ? ? 1897 LEU A O 1 +ATOM 334 C CB . LEU A 1 42 ? 7.495 44.656 22.615 1.00 52.50 ? ? ? ? ? ? 1897 LEU A CB 1 +ATOM 335 C CG . LEU A 1 42 ? 6.563 44.373 21.433 1.00 64.69 ? ? ? ? ? ? 1897 LEU A CG 1 +ATOM 336 C CD1 . LEU A 1 42 ? 5.508 43.344 21.818 1.00 69.25 ? ? ? ? ? ? 1897 LEU A CD1 1 +ATOM 337 C CD2 . LEU A 1 42 ? 5.915 45.651 20.923 1.00 68.57 ? ? ? ? ? ? 1897 LEU A CD2 1 +ATOM 338 N N . VAL A 1 43 ? 10.484 45.716 23.784 1.00 45.98 ? ? ? ? ? ? 1898 VAL A N 1 +ATOM 339 C CA . VAL A 1 43 ? 11.266 45.878 25.004 1.00 42.42 ? ? ? ? ? ? 1898 VAL A CA 1 +ATOM 340 C C . VAL A 1 43 ? 12.303 46.989 24.850 1.00 41.98 ? ? ? ? ? ? 1898 VAL A C 1 +ATOM 341 O O . VAL A 1 43 ? 13.318 46.808 24.174 1.00 39.52 ? ? ? ? ? ? 1898 VAL A O 1 +ATOM 342 C CB . VAL A 1 43 ? 11.976 44.571 25.396 1.00 42.66 ? ? ? ? ? ? 1898 VAL A CB 1 +ATOM 343 C CG1 . VAL A 1 43 ? 12.746 44.759 26.696 1.00 42.08 ? ? ? ? ? ? 1898 VAL A CG1 1 +ATOM 344 C CG2 . VAL A 1 43 ? 10.965 43.431 25.515 1.00 40.06 ? ? ? ? ? ? 1898 VAL A CG2 1 +ATOM 345 N N . PRO A 1 44 ? 12.045 48.151 25.476 1.00 40.07 ? ? ? ? ? ? 1899 PRO A N 1 +ATOM 346 C CA . PRO A 1 44 ? 12.974 49.281 25.405 1.00 40.44 ? ? ? ? ? ? 1899 PRO A CA 1 +ATOM 347 C C . PRO A 1 44 ? 14.377 48.914 25.877 1.00 41.94 ? ? ? ? ? ? 1899 PRO A C 1 +ATOM 348 O O . PRO A 1 44 ? 14.525 48.134 26.821 1.00 38.75 ? ? ? ? ? ? 1899 PRO A O 1 +ATOM 349 C CB . PRO A 1 44 ? 12.337 50.325 26.338 1.00 47.77 ? ? ? ? ? ? 1899 PRO A CB 1 +ATOM 350 C CG . PRO A 1 44 ? 10.892 49.974 26.362 1.00 50.19 ? ? ? ? ? ? 1899 PRO A CG 1 +ATOM 351 C CD . PRO A 1 44 ? 10.840 48.473 26.260 1.00 42.99 ? ? ? ? ? ? 1899 PRO A CD 1 +ATOM 352 N N . GLY A 1 45 ? 15.389 49.449 25.202 1.00 33.46 ? ? ? ? ? ? 1900 GLY A N 1 +ATOM 353 C CA . GLY A 1 45 ? 16.771 49.217 25.580 1.00 32.23 ? ? ? ? ? ? 1900 GLY A CA 1 +ATOM 354 C C . GLY A 1 45 ? 17.421 47.944 25.066 1.00 33.36 ? ? ? ? ? ? 1900 GLY A C 1 +ATOM 355 O O . GLY A 1 45 ? 18.625 47.926 24.815 1.00 35.28 ? ? ? ? ? ? 1900 GLY A O 1 +ATOM 356 N N . TYR A 1 46 ? 16.646 46.876 24.903 1.00 32.27 ? ? ? ? ? ? 1901 TYR A N 1 +ATOM 357 C CA . TYR A 1 46 ? 17.257 45.557 24.700 1.00 30.42 ? ? ? ? ? ? 1901 TYR A CA 1 +ATOM 358 C C . TYR A 1 46 ? 18.127 45.468 23.444 1.00 36.14 ? ? ? ? ? ? 1901 TYR A C 1 +ATOM 359 O O . TYR A 1 46 ? 19.244 44.943 23.500 1.00 30.38 ? ? ? ? ? ? 1901 TYR A O 1 +ATOM 360 C CB . TYR A 1 46 ? 16.198 44.459 24.660 1.00 34.29 ? ? ? ? ? ? 1901 TYR A CB 1 +ATOM 361 C CG . TYR A 1 46 ? 16.781 43.117 25.064 1.00 35.59 ? ? ? ? ? ? 1901 TYR A CG 1 +ATOM 362 C CD1 . TYR A 1 46 ? 17.358 42.268 24.123 1.00 30.79 ? ? ? ? ? ? 1901 TYR A CD1 1 +ATOM 363 C CD2 . TYR A 1 46 ? 16.801 42.728 26.401 1.00 30.40 ? ? ? ? ? ? 1901 TYR A CD2 1 +ATOM 364 C CE1 . TYR A 1 46 ? 17.915 41.043 24.505 1.00 31.12 ? ? ? ? ? ? 1901 TYR A CE1 1 +ATOM 365 C CE2 . TYR A 1 46 ? 17.353 41.512 26.791 1.00 34.55 ? ? ? ? ? ? 1901 TYR A CE2 1 +ATOM 366 C CZ . TYR A 1 46 ? 17.909 40.678 25.843 1.00 36.23 ? ? ? ? ? ? 1901 TYR A CZ 1 +ATOM 367 O OH . TYR A 1 46 ? 18.459 39.483 26.247 1.00 32.02 ? ? ? ? ? ? 1901 TYR A OH 1 +ATOM 368 N N . LYS A 1 47 ? 17.634 45.987 22.322 1.00 37.30 ? ? ? ? ? ? 1902 LYS A N 1 +ATOM 369 C CA . LYS A 1 47 ? 18.369 45.871 21.066 1.00 37.06 ? ? ? ? ? ? 1902 LYS A CA 1 +ATOM 370 C C . LYS A 1 47 ? 19.692 46.641 21.093 1.00 32.98 ? ? ? ? ? ? 1902 LYS A C 1 +ATOM 371 O O . LYS A 1 47 ? 20.710 46.152 20.601 1.00 38.46 ? ? ? ? ? ? 1902 LYS A O 1 +ATOM 372 C CB . LYS A 1 47 ? 17.509 46.348 19.890 1.00 37.99 ? ? ? ? ? ? 1902 LYS A CB 1 +ATOM 373 C CG . LYS A 1 47 ? 18.141 46.051 18.527 1.00 40.43 ? ? ? ? ? ? 1902 LYS A CG 1 +ATOM 374 C CD . LYS A 1 47 ? 17.258 46.494 17.371 1.00 42.73 ? ? ? ? ? ? 1902 LYS A CD 1 +ATOM 375 C CE . LYS A 1 47 ? 17.951 46.245 16.036 1.00 50.85 ? ? ? ? ? ? 1902 LYS A CE 1 +ATOM 376 N NZ . LYS A 1 47 ? 17.207 46.890 14.923 1.00 57.37 ? ? ? ? ? ? 1902 LYS A NZ 1 +ATOM 377 N N . LYS A 1 48 ? 19.683 47.838 21.673 1.00 32.27 ? ? ? ? ? ? 1903 LYS A N 1 +ATOM 378 C CA . LYS A 1 48 ? 20.895 48.649 21.746 1.00 32.40 ? ? ? ? ? ? 1903 LYS A CA 1 +ATOM 379 C C . LYS A 1 48 ? 21.882 48.107 22.787 1.00 35.38 ? ? ? ? ? ? 1903 LYS A C 1 +ATOM 380 O O . LYS A 1 48 ? 23.098 48.167 22.607 1.00 36.08 ? ? ? ? ? ? 1903 LYS A O 1 +ATOM 381 C CB . LYS A 1 48 ? 20.543 50.111 22.073 1.00 33.13 ? ? ? ? ? ? 1903 LYS A CB 1 +ATOM 382 C CG . LYS A 1 48 ? 21.739 51.039 22.110 1.00 34.50 ? ? ? ? ? ? 1903 LYS A CG 1 +ATOM 383 C CD . LYS A 1 48 ? 22.399 51.137 20.737 1.00 39.54 ? ? ? ? ? ? 1903 LYS A CD 1 +ATOM 384 C CE . LYS A 1 48 ? 23.422 52.266 20.683 1.00 37.79 ? ? ? ? ? ? 1903 LYS A CE 1 +ATOM 385 N NZ . LYS A 1 48 ? 22.789 53.615 20.601 1.00 37.62 ? ? ? ? ? ? 1903 LYS A NZ 1 +ATOM 386 N N . VAL A 1 49 ? 21.351 47.577 23.880 1.00 30.58 ? ? ? ? ? ? 1904 VAL A N 1 +ATOM 387 C CA . VAL A 1 49 ? 22.188 47.139 24.992 1.00 32.15 ? ? ? ? ? ? 1904 VAL A CA 1 +ATOM 388 C C . VAL A 1 49 ? 22.761 45.735 24.761 1.00 34.56 ? ? ? ? ? ? 1904 VAL A C 1 +ATOM 389 O O . VAL A 1 49 ? 23.956 45.509 24.950 1.00 33.83 ? ? ? ? ? ? 1904 VAL A O 1 +ATOM 390 C CB . VAL A 1 49 ? 21.398 47.184 26.317 1.00 30.41 ? ? ? ? ? ? 1904 VAL A CB 1 +ATOM 391 C CG1 . VAL A 1 49 ? 22.159 46.483 27.445 1.00 31.36 ? ? ? ? ? ? 1904 VAL A CG1 1 +ATOM 392 C CG2 . VAL A 1 49 ? 21.081 48.650 26.706 1.00 30.57 ? ? ? ? ? ? 1904 VAL A CG2 1 +ATOM 393 N N . ILE A 1 50 ? 21.920 44.799 24.336 1.00 30.97 ? ? ? ? ? ? 1905 ILE A N 1 +ATOM 394 C CA . ILE A 1 50 ? 22.343 43.402 24.225 1.00 32.63 ? ? ? ? ? ? 1905 ILE A CA 1 +ATOM 395 C C . ILE A 1 50 ? 22.824 43.113 22.811 1.00 36.52 ? ? ? ? ? ? 1905 ILE A C 1 +ATOM 396 O O . ILE A 1 50 ? 22.019 42.933 21.902 1.00 33.48 ? ? ? ? ? ? 1905 ILE A O 1 +ATOM 397 C CB . ILE A 1 50 ? 21.203 42.441 24.604 1.00 31.55 ? ? ? ? ? ? 1905 ILE A CB 1 +ATOM 398 C CG1 . ILE A 1 50 ? 20.724 42.736 26.029 1.00 35.63 ? ? ? ? ? ? 1905 ILE A CG1 1 +ATOM 399 C CG2 . ILE A 1 50 ? 21.638 40.961 24.450 1.00 25.75 ? ? ? ? ? ? 1905 ILE A CG2 1 +ATOM 400 C CD1 . ILE A 1 50 ? 21.817 42.611 27.087 1.00 30.40 ? ? ? ? ? ? 1905 ILE A CD1 1 +ATOM 401 N N . LYS A 1 51 ? 24.140 43.070 22.635 1.00 32.04 ? ? ? ? ? ? 1906 LYS A N 1 +ATOM 402 C CA . LYS A 1 51 ? 24.726 43.008 21.302 1.00 37.03 ? ? ? ? ? ? 1906 LYS A CA 1 +ATOM 403 C C . LYS A 1 51 ? 24.508 41.665 20.624 1.00 42.60 ? ? ? ? ? ? 1906 LYS A C 1 +ATOM 404 O O . LYS A 1 51 ? 24.452 41.591 19.401 1.00 36.95 ? ? ? ? ? ? 1906 LYS A O 1 +ATOM 405 C CB . LYS A 1 51 ? 26.222 43.317 21.366 1.00 43.52 ? ? ? ? ? ? 1906 LYS A CB 1 +ATOM 406 C CG . LYS A 1 51 ? 26.531 44.687 21.956 1.00 51.77 ? ? ? ? ? ? 1906 LYS A CG 1 +ATOM 407 C CD . LYS A 1 51 ? 25.713 45.780 21.283 1.00 56.04 ? ? ? ? ? ? 1906 LYS A CD 1 +ATOM 408 C CE . LYS A 1 51 ? 26.063 47.155 21.843 1.00 60.15 ? ? ? ? ? ? 1906 LYS A CE 1 +ATOM 409 N NZ . LYS A 1 51 ? 25.459 48.252 21.038 1.00 68.25 ? ? ? ? ? ? 1906 LYS A NZ 1 +ATOM 410 N N . LYS A 1 52 ? 24.400 40.606 21.421 1.00 32.40 ? ? ? ? ? ? 1907 LYS A N 1 +ATOM 411 C CA . LYS A 1 52 ? 24.177 39.271 20.878 1.00 38.26 ? ? ? ? ? ? 1907 LYS A CA 1 +ATOM 412 C C . LYS A 1 52 ? 23.059 38.573 21.636 1.00 32.50 ? ? ? ? ? ? 1907 LYS A C 1 +ATOM 413 O O . LYS A 1 52 ? 23.324 37.822 22.566 1.00 32.01 ? ? ? ? ? ? 1907 LYS A O 1 +ATOM 414 C CB . LYS A 1 52 ? 25.451 38.425 20.954 1.00 40.79 ? ? ? ? ? ? 1907 LYS A CB 1 +ATOM 415 C CG . LYS A 1 52 ? 26.658 38.995 20.226 1.00 52.88 ? ? ? ? ? ? 1907 LYS A CG 1 +ATOM 416 C CD . LYS A 1 52 ? 27.825 38.022 20.317 1.00 64.25 ? ? ? ? ? ? 1907 LYS A CD 1 +ATOM 417 C CE . LYS A 1 52 ? 29.103 38.594 19.730 1.00 70.75 ? ? ? ? ? ? 1907 LYS A CE 1 +ATOM 418 N NZ . LYS A 1 52 ? 30.235 37.639 19.894 1.00 74.50 ? ? ? ? ? ? 1907 LYS A NZ 1 +ATOM 419 N N . PRO A 1 53 ? 21.805 38.835 21.249 1.00 34.48 ? ? ? ? ? ? 1908 PRO A N 1 +ATOM 420 C CA . PRO A 1 53 ? 20.656 38.155 21.850 1.00 35.95 ? ? ? ? ? ? 1908 PRO A CA 1 +ATOM 421 C C . PRO A 1 53 ? 20.735 36.641 21.643 1.00 32.19 ? ? ? ? ? ? 1908 PRO A C 1 +ATOM 422 O O . PRO A 1 53 ? 21.178 36.187 20.593 1.00 29.35 ? ? ? ? ? ? 1908 PRO A O 1 +ATOM 423 C CB . PRO A 1 53 ? 19.462 38.744 21.090 1.00 32.29 ? ? ? ? ? ? 1908 PRO A CB 1 +ATOM 424 C CG . PRO A 1 53 ? 19.952 40.057 20.564 1.00 35.82 ? ? ? ? ? ? 1908 PRO A CG 1 +ATOM 425 C CD . PRO A 1 53 ? 21.391 39.810 20.226 1.00 40.19 ? ? ? ? ? ? 1908 PRO A CD 1 +ATOM 426 N N . MET A 1 54 ? 20.317 35.874 22.638 1.00 31.14 ? ? ? ? ? ? 1909 MET A N 1 +ATOM 427 C CA . MET A 1 54 ? 20.273 34.420 22.502 1.00 31.21 ? ? ? ? ? ? 1909 MET A CA 1 +ATOM 428 C C . MET A 1 54 ? 19.186 33.889 23.421 1.00 36.10 ? ? ? ? ? ? 1909 MET A C 1 +ATOM 429 O O . MET A 1 54 ? 18.899 34.476 24.464 1.00 32.24 ? ? ? ? ? ? 1909 MET A O 1 +ATOM 430 C CB . MET A 1 54 ? 21.632 33.786 22.821 1.00 27.46 ? ? ? ? ? ? 1909 MET A CB 1 +ATOM 431 C CG . MET A 1 54 ? 21.703 32.276 22.560 1.00 30.39 ? ? ? ? ? ? 1909 MET A CG 1 +ATOM 432 S SD . MET A 1 54 ? 21.231 31.849 20.860 1.00 31.61 ? ? ? ? ? ? 1909 MET A SD 1 +ATOM 433 C CE . MET A 1 54 ? 22.413 32.841 19.935 1.00 31.97 ? ? ? ? ? ? 1909 MET A CE 1 +ATOM 434 N N . ASP A 1 55 ? 18.559 32.797 23.006 1.00 28.10 ? ? ? ? ? ? 1910 ASP A N 1 +ATOM 435 C CA . ASP A 1 55 ? 17.488 32.167 23.764 1.00 26.44 ? ? ? ? ? ? 1910 ASP A CA 1 +ATOM 436 C C . ASP A 1 55 ? 17.478 30.676 23.438 1.00 27.11 ? ? ? ? ? ? 1910 ASP A C 1 +ATOM 437 O O . ASP A 1 55 ? 18.103 30.252 22.462 1.00 28.75 ? ? ? ? ? ? 1910 ASP A O 1 +ATOM 438 C CB . ASP A 1 55 ? 16.142 32.797 23.420 1.00 30.13 ? ? ? ? ? ? 1910 ASP A CB 1 +ATOM 439 C CG . ASP A 1 55 ? 15.704 32.466 22.000 1.00 36.62 ? ? ? ? ? ? 1910 ASP A CG 1 +ATOM 440 O OD1 . ASP A 1 55 ? 16.234 33.093 21.063 1.00 31.77 ? ? ? ? ? ? 1910 ASP A OD1 1 +ATOM 441 O OD2 . ASP A 1 55 ? 14.859 31.562 21.821 1.00 31.86 ? ? ? ? ? ? 1910 ASP A OD2 1 +ATOM 442 N N . PHE A 1 56 ? 16.754 29.888 24.235 1.00 24.97 ? ? ? ? ? ? 1911 PHE A N 1 +ATOM 443 C CA . PHE A 1 56 ? 16.744 28.437 24.077 1.00 27.50 ? ? ? ? ? ? 1911 PHE A CA 1 +ATOM 444 C C . PHE A 1 56 ? 16.227 27.982 22.709 1.00 26.99 ? ? ? ? ? ? 1911 PHE A C 1 +ATOM 445 O O . PHE A 1 56 ? 16.751 27.029 22.142 1.00 25.02 ? ? ? ? ? ? 1911 PHE A O 1 +ATOM 446 C CB . PHE A 1 56 ? 15.903 27.769 25.174 1.00 27.27 ? ? ? ? ? ? 1911 PHE A CB 1 +ATOM 447 C CG . PHE A 1 56 ? 16.472 27.918 26.573 1.00 31.18 ? ? ? ? ? ? 1911 PHE A CG 1 +ATOM 448 C CD1 . PHE A 1 56 ? 17.757 28.402 26.783 1.00 26.63 ? ? ? ? ? ? 1911 PHE A CD1 1 +ATOM 449 C CD2 . PHE A 1 56 ? 15.715 27.551 27.681 1.00 27.78 ? ? ? ? ? ? 1911 PHE A CD2 1 +ATOM 450 C CE1 . PHE A 1 56 ? 18.268 28.534 28.077 1.00 27.00 ? ? ? ? ? ? 1911 PHE A CE1 1 +ATOM 451 C CE2 . PHE A 1 56 ? 16.224 27.670 28.970 1.00 28.79 ? ? ? ? ? ? 1911 PHE A CE2 1 +ATOM 452 C CZ . PHE A 1 56 ? 17.500 28.165 29.165 1.00 30.35 ? ? ? ? ? ? 1911 PHE A CZ 1 +ATOM 453 N N . SER A 1 57 ? 15.190 28.633 22.191 1.00 26.47 ? ? ? ? ? ? 1912 SER A N 1 +ATOM 454 C CA . SER A 1 57 ? 14.603 28.194 20.930 1.00 33.83 ? ? ? ? ? ? 1912 SER A CA 1 +ATOM 455 C C . SER A 1 57 ? 15.586 28.418 19.779 1.00 34.95 ? ? ? ? ? ? 1912 SER A C 1 +ATOM 456 O O . SER A 1 57 ? 15.630 27.642 18.820 1.00 28.99 ? ? ? ? ? ? 1912 SER A O 1 +ATOM 457 C CB . SER A 1 57 ? 13.281 28.913 20.652 1.00 33.80 ? ? ? ? ? ? 1912 SER A CB 1 +ATOM 458 O OG . SER A 1 57 ? 13.496 30.242 20.197 1.00 38.46 ? ? ? ? ? ? 1912 SER A OG 1 +ATOM 459 N N . THR A 1 58 ? 16.388 29.471 19.885 1.00 31.25 ? ? ? ? ? ? 1913 THR A N 1 +ATOM 460 C CA . THR A 1 58 ? 17.395 29.745 18.866 1.00 31.67 ? ? ? ? ? ? 1913 THR A CA 1 +ATOM 461 C C . THR A 1 58 ? 18.520 28.719 18.986 1.00 29.55 ? ? ? ? ? ? 1913 THR A C 1 +ATOM 462 O O . THR A 1 58 ? 19.008 28.205 17.984 1.00 34.32 ? ? ? ? ? ? 1913 THR A O 1 +ATOM 463 C CB . THR A 1 58 ? 17.940 31.187 18.983 1.00 30.13 ? ? ? ? ? ? 1913 THR A CB 1 +ATOM 464 O OG1 . THR A 1 58 ? 16.860 32.105 18.780 1.00 29.32 ? ? ? ? ? ? 1913 THR A OG1 1 +ATOM 465 C CG2 . THR A 1 58 ? 19.016 31.461 17.927 1.00 31.08 ? ? ? ? ? ? 1913 THR A CG2 1 +ATOM 466 N N . ILE A 1 59 ? 18.918 28.414 20.218 1.00 25.28 ? ? ? ? ? ? 1914 ILE A N 1 +ATOM 467 C CA . ILE A 1 59 ? 19.932 27.393 20.446 1.00 26.38 ? ? ? ? ? ? 1914 ILE A CA 1 +ATOM 468 C C . ILE A 1 59 ? 19.460 26.062 19.866 1.00 30.29 ? ? ? ? ? ? 1914 ILE A C 1 +ATOM 469 O O . ILE A 1 59 ? 20.231 25.338 19.228 1.00 30.05 ? ? ? ? ? ? 1914 ILE A O 1 +ATOM 470 C CB . ILE A 1 59 ? 20.247 27.240 21.947 1.00 26.58 ? ? ? ? ? ? 1914 ILE A CB 1 +ATOM 471 C CG1 . ILE A 1 59 ? 20.925 28.510 22.466 1.00 26.62 ? ? ? ? ? ? 1914 ILE A CG1 1 +ATOM 472 C CG2 . ILE A 1 59 ? 21.136 26.013 22.205 1.00 21.45 ? ? ? ? ? ? 1914 ILE A CG2 1 +ATOM 473 C CD1 . ILE A 1 59 ? 21.130 28.533 23.994 1.00 24.52 ? ? ? ? ? ? 1914 ILE A CD1 1 +ATOM 474 N N . ARG A 1 60 ? 18.183 25.757 20.077 1.00 29.81 ? ? ? ? ? ? 1915 ARG A N 1 +ATOM 475 C CA . ARG A 1 60 ? 17.607 24.512 19.602 1.00 30.33 ? ? ? ? ? ? 1915 ARG A CA 1 +ATOM 476 C C . ARG A 1 60 ? 17.611 24.470 18.072 1.00 35.06 ? ? ? ? ? ? 1915 ARG A C 1 +ATOM 477 O O . ARG A 1 60 ? 17.918 23.437 17.476 1.00 31.40 ? ? ? ? ? ? 1915 ARG A O 1 +ATOM 478 C CB . ARG A 1 60 ? 16.188 24.338 20.151 1.00 28.64 ? ? ? ? ? ? 1915 ARG A CB 1 +ATOM 479 C CG . ARG A 1 60 ? 15.384 23.225 19.497 1.00 29.90 ? ? ? ? ? ? 1915 ARG A CG 1 +ATOM 480 C CD . ARG A 1 60 ? 15.922 21.873 19.869 1.00 33.14 ? ? ? ? ? ? 1915 ARG A CD 1 +ATOM 481 N NE . ARG A 1 60 ? 15.700 21.544 21.276 1.00 35.58 ? ? ? ? ? ? 1915 ARG A NE 1 +ATOM 482 C CZ . ARG A 1 60 ? 16.197 20.459 21.861 1.00 40.70 ? ? ? ? ? ? 1915 ARG A CZ 1 +ATOM 483 N NH1 . ARG A 1 60 ? 16.937 19.615 21.157 1.00 35.66 ? ? ? ? ? ? 1915 ARG A NH1 1 +ATOM 484 N NH2 . ARG A 1 60 ? 15.958 20.219 23.141 1.00 37.90 ? ? ? ? ? ? 1915 ARG A NH2 1 +ATOM 485 N N . GLU A 1 61 ? 17.295 25.596 17.435 1.00 29.84 ? ? ? ? ? ? 1916 GLU A N 1 +ATOM 486 C CA . GLU A 1 61 ? 17.260 25.633 15.973 1.00 30.91 ? ? ? ? ? ? 1916 GLU A CA 1 +ATOM 487 C C . GLU A 1 61 ? 18.666 25.472 15.398 1.00 29.06 ? ? ? ? ? ? 1916 GLU A C 1 +ATOM 488 O O . GLU A 1 61 ? 18.861 24.764 14.401 1.00 31.85 ? ? ? ? ? ? 1916 GLU A O 1 +ATOM 489 C CB . GLU A 1 61 ? 16.612 26.929 15.467 1.00 28.90 ? ? ? ? ? ? 1916 GLU A CB 1 +ATOM 490 C CG . GLU A 1 61 ? 16.574 27.044 13.930 1.00 37.82 ? ? ? ? ? ? 1916 GLU A CG 1 +ATOM 491 C CD . GLU A 1 61 ? 15.696 25.986 13.251 1.00 49.56 ? ? ? ? ? ? 1916 GLU A CD 1 +ATOM 492 O OE1 . GLU A 1 61 ? 14.669 25.588 13.839 1.00 50.88 ? ? ? ? ? ? 1916 GLU A OE1 1 +ATOM 493 O OE2 . GLU A 1 61 ? 16.030 25.555 12.118 1.00 51.91 ? ? ? ? ? ? 1916 GLU A OE2 1 +ATOM 494 N N . LYS A 1 62 ? 19.642 26.112 16.042 1.00 29.56 ? ? ? ? ? ? 1917 LYS A N 1 +ATOM 495 C CA . LYS A 1 62 ? 21.041 25.972 15.641 1.00 29.59 ? ? ? ? ? ? 1917 LYS A CA 1 +ATOM 496 C C . LYS A 1 62 ? 21.544 24.535 15.813 1.00 30.33 ? ? ? ? ? ? 1917 LYS A C 1 +ATOM 497 O O . LYS A 1 62 ? 22.188 23.971 14.913 1.00 30.89 ? ? ? ? ? ? 1917 LYS A O 1 +ATOM 498 C CB . LYS A 1 62 ? 21.919 26.939 16.441 1.00 25.57 ? ? ? ? ? ? 1917 LYS A CB 1 +ATOM 499 C CG . LYS A 1 62 ? 21.718 28.409 16.027 1.00 30.26 ? ? ? ? ? ? 1917 LYS A CG 1 +ATOM 500 C CD . LYS A 1 62 ? 22.485 29.397 16.918 1.00 35.48 ? ? ? ? ? ? 1917 LYS A CD 1 +ATOM 501 C CE . LYS A 1 62 ? 23.988 29.313 16.704 1.00 33.84 ? ? ? ? ? ? 1917 LYS A CE 1 +ATOM 502 N NZ . LYS A 1 62 ? 24.696 30.465 17.350 1.00 36.79 ? ? ? ? ? ? 1917 LYS A NZ 1 +ATOM 503 N N . LEU A 1 63 ? 21.248 23.952 16.968 1.00 29.86 ? ? ? ? ? ? 1918 LEU A N 1 +ATOM 504 C CA . LEU A 1 63 ? 21.651 22.587 17.267 1.00 34.49 ? ? ? ? ? ? 1918 LEU A CA 1 +ATOM 505 C C . LEU A 1 63 ? 21.065 21.617 16.240 1.00 31.75 ? ? ? ? ? ? 1918 LEU A C 1 +ATOM 506 O O . LEU A 1 63 ? 21.771 20.739 15.735 1.00 38.05 ? ? ? ? ? ? 1918 LEU A O 1 +ATOM 507 C CB . LEU A 1 63 ? 21.216 22.199 18.685 1.00 35.71 ? ? ? ? ? ? 1918 LEU A CB 1 +ATOM 508 C CG . LEU A 1 63 ? 21.814 20.910 19.261 1.00 32.32 ? ? ? ? ? ? 1918 LEU A CG 1 +ATOM 509 C CD1 . LEU A 1 63 ? 23.322 21.051 19.401 1.00 33.35 ? ? ? ? ? ? 1918 LEU A CD1 1 +ATOM 510 C CD2 . LEU A 1 63 ? 21.179 20.541 20.603 1.00 30.86 ? ? ? ? ? ? 1918 LEU A CD2 1 +ATOM 511 N N . SER A 1 64 ? 19.782 21.797 15.925 1.00 31.49 ? ? ? ? ? ? 1919 SER A N 1 +ATOM 512 C CA . SER A 1 64 ? 19.055 20.898 15.026 1.00 35.20 ? ? ? ? ? ? 1919 SER A CA 1 +ATOM 513 C C . SER A 1 64 ? 19.457 21.063 13.567 1.00 34.05 ? ? ? ? ? ? 1919 SER A C 1 +ATOM 514 O O . SER A 1 64 ? 19.078 20.255 12.728 1.00 38.36 ? ? ? ? ? ? 1919 SER A O 1 +ATOM 515 C CB . SER A 1 64 ? 17.540 21.109 15.152 1.00 40.18 ? ? ? ? ? ? 1919 SER A CB 1 +ATOM 516 O OG . SER A 1 64 ? 17.080 20.795 16.459 1.00 47.92 ? ? ? ? ? ? 1919 SER A OG 1 +ATOM 517 N N . SER A 1 65 ? 20.219 22.102 13.260 1.00 33.75 ? ? ? ? ? ? 1920 SER A N 1 +ATOM 518 C CA . SER A 1 65 ? 20.567 22.378 11.861 1.00 36.24 ? ? ? ? ? ? 1920 SER A CA 1 +ATOM 519 C C . SER A 1 65 ? 22.078 22.408 11.653 1.00 34.46 ? ? ? ? ? ? 1920 SER A C 1 +ATOM 520 O O . SER A 1 65 ? 22.570 23.001 10.691 1.00 36.07 ? ? ? ? ? ? 1920 SER A O 1 +ATOM 521 C CB . SER A 1 65 ? 19.938 23.697 11.403 1.00 34.42 ? ? ? ? ? ? 1920 SER A CB 1 +ATOM 522 O OG . SER A 1 65 ? 20.338 24.791 12.220 1.00 34.45 ? ? ? ? ? ? 1920 SER A OG 1 +ATOM 523 N N . GLY A 1 66 ? 22.803 21.767 12.573 1.00 33.82 ? ? ? ? ? ? 1921 GLY A N 1 +ATOM 524 C CA . GLY A 1 66 ? 24.244 21.625 12.461 1.00 34.38 ? ? ? ? ? ? 1921 GLY A CA 1 +ATOM 525 C C . GLY A 1 66 ? 25.022 22.927 12.495 1.00 34.51 ? ? ? ? ? ? 1921 GLY A C 1 +ATOM 526 O O . GLY A 1 66 ? 26.042 23.067 11.830 1.00 36.20 ? ? ? ? ? ? 1921 GLY A O 1 +ATOM 527 N N . GLN A 1 67 ? 24.560 23.889 13.281 1.00 33.26 ? ? ? ? ? ? 1922 GLN A N 1 +ATOM 528 C CA . GLN A 1 67 ? 25.256 25.167 13.328 1.00 35.41 ? ? ? ? ? ? 1922 GLN A CA 1 +ATOM 529 C C . GLN A 1 67 ? 26.207 25.285 14.528 1.00 35.45 ? ? ? ? ? ? 1922 GLN A C 1 +ATOM 530 O O . GLN A 1 67 ? 26.852 26.311 14.701 1.00 34.29 ? ? ? ? ? ? 1922 GLN A O 1 +ATOM 531 C CB . GLN A 1 67 ? 24.244 26.316 13.318 1.00 34.27 ? ? ? ? ? ? 1922 GLN A CB 1 +ATOM 532 C CG . GLN A 1 67 ? 23.422 26.361 12.032 1.00 37.66 ? ? ? ? ? ? 1922 GLN A CG 1 +ATOM 533 C CD . GLN A 1 67 ? 22.535 27.579 11.947 1.00 43.12 ? ? ? ? ? ? 1922 GLN A CD 1 +ATOM 534 O OE1 . GLN A 1 67 ? 22.998 28.706 12.094 1.00 51.92 ? ? ? ? ? ? 1922 GLN A OE1 1 +ATOM 535 N NE2 . GLN A 1 67 ? 21.250 27.359 11.707 1.00 46.61 ? ? ? ? ? ? 1922 GLN A NE2 1 +ATOM 536 N N . TYR A 1 68 ? 26.305 24.235 15.345 1.00 31.80 ? ? ? ? ? ? 1923 TYR A N 1 +ATOM 537 C CA . TYR A 1 68 ? 27.362 24.153 16.358 1.00 31.75 ? ? ? ? ? ? 1923 TYR A CA 1 +ATOM 538 C C . TYR A 1 68 ? 28.434 23.185 15.879 1.00 40.06 ? ? ? ? ? ? 1923 TYR A C 1 +ATOM 539 O O . TYR A 1 68 ? 28.165 21.999 15.682 1.00 36.46 ? ? ? ? ? ? 1923 TYR A O 1 +ATOM 540 C CB . TYR A 1 68 ? 26.816 23.710 17.730 1.00 31.01 ? ? ? ? ? ? 1923 TYR A CB 1 +ATOM 541 C CG . TYR A 1 68 ? 25.900 24.749 18.330 1.00 32.47 ? ? ? ? ? ? 1923 TYR A CG 1 +ATOM 542 C CD1 . TYR A 1 68 ? 26.367 26.024 18.612 1.00 30.54 ? ? ? ? ? ? 1923 TYR A CD1 1 +ATOM 543 C CD2 . TYR A 1 68 ? 24.566 24.466 18.585 1.00 30.01 ? ? ? ? ? ? 1923 TYR A CD2 1 +ATOM 544 C CE1 . TYR A 1 68 ? 25.529 26.993 19.136 1.00 30.27 ? ? ? ? ? ? 1923 TYR A CE1 1 +ATOM 545 C CE2 . TYR A 1 68 ? 23.718 25.429 19.107 1.00 31.24 ? ? ? ? ? ? 1923 TYR A CE2 1 +ATOM 546 C CZ . TYR A 1 68 ? 24.209 26.686 19.383 1.00 30.03 ? ? ? ? ? ? 1923 TYR A CZ 1 +ATOM 547 O OH . TYR A 1 68 ? 23.366 27.644 19.882 1.00 30.30 ? ? ? ? ? ? 1923 TYR A OH 1 +ATOM 548 N N . PRO A 1 69 ? 29.652 23.694 15.669 1.00 33.86 ? ? ? ? ? ? 1924 PRO A N 1 +ATOM 549 C CA . PRO A 1 69 ? 30.730 22.832 15.181 1.00 35.51 ? ? ? ? ? ? 1924 PRO A CA 1 +ATOM 550 C C . PRO A 1 69 ? 31.306 21.926 16.269 1.00 43.48 ? ? ? ? ? ? 1924 PRO A C 1 +ATOM 551 O O . PRO A 1 69 ? 31.987 20.958 15.941 1.00 40.53 ? ? ? ? ? ? 1924 PRO A O 1 +ATOM 552 C CB . PRO A 1 69 ? 31.780 23.828 14.676 1.00 40.57 ? ? ? ? ? ? 1924 PRO A CB 1 +ATOM 553 C CG . PRO A 1 69 ? 31.490 25.101 15.394 1.00 43.85 ? ? ? ? ? ? 1924 PRO A CG 1 +ATOM 554 C CD . PRO A 1 69 ? 30.013 25.123 15.648 1.00 42.71 ? ? ? ? ? ? 1924 PRO A CD 1 +ATOM 555 N N . ASN A 1 70 ? 31.026 22.226 17.535 1.00 35.69 ? ? ? ? ? ? 1925 ASN A N 1 +ATOM 556 C CA . ASN A 1 70 ? 31.537 21.419 18.646 1.00 38.09 ? ? ? ? ? ? 1925 ASN A CA 1 +ATOM 557 C C . ASN A 1 70 ? 30.831 21.743 19.965 1.00 38.90 ? ? ? ? ? ? 1925 ASN A C 1 +ATOM 558 O O . ASN A 1 70 ? 30.026 22.675 20.019 1.00 34.01 ? ? ? ? ? ? 1925 ASN A O 1 +ATOM 559 C CB . ASN A 1 70 ? 33.051 21.620 18.797 1.00 38.20 ? ? ? ? ? ? 1925 ASN A CB 1 +ATOM 560 C CG . ASN A 1 70 ? 33.436 23.076 19.015 1.00 43.89 ? ? ? ? ? ? 1925 ASN A CG 1 +ATOM 561 O OD1 . ASN A 1 70 ? 32.795 23.801 19.779 1.00 43.39 ? ? ? ? ? ? 1925 ASN A OD1 1 +ATOM 562 N ND2 . ASN A 1 70 ? 34.491 23.511 18.340 1.00 44.29 ? ? ? ? ? ? 1925 ASN A ND2 1 +ATOM 563 N N . LEU A 1 71 ? 31.143 20.972 21.013 1.00 34.25 ? ? ? ? ? ? 1926 LEU A N 1 +ATOM 564 C CA . LEU A 1 71 ? 30.608 21.194 22.363 1.00 35.00 ? ? ? ? ? ? 1926 LEU A CA 1 +ATOM 565 C C . LEU A 1 71 ? 30.763 22.617 22.868 1.00 35.07 ? ? ? ? ? ? 1926 LEU A C 1 +ATOM 566 O O . LEU A 1 71 ? 29.817 23.223 23.386 1.00 37.04 ? ? ? ? ? ? 1926 LEU A O 1 +ATOM 567 C CB . LEU A 1 71 ? 31.307 20.275 23.368 1.00 44.18 ? ? ? ? ? ? 1926 LEU A CB 1 +ATOM 568 C CG . LEU A 1 71 ? 30.919 18.812 23.382 1.00 49.79 ? ? ? ? ? ? 1926 LEU A CG 1 +ATOM 569 C CD1 . LEU A 1 71 ? 31.581 18.126 24.560 1.00 55.29 ? ? ? ? ? ? 1926 LEU A CD1 1 +ATOM 570 C CD2 . LEU A 1 71 ? 29.425 18.712 23.477 1.00 55.89 ? ? ? ? ? ? 1926 LEU A CD2 1 +ATOM 571 N N . GLU A 1 72 ? 31.987 23.118 22.749 1.00 39.82 ? ? ? ? ? ? 1927 GLU A N 1 +ATOM 572 C CA . GLU A 1 72 ? 32.363 24.426 23.263 1.00 40.34 ? ? ? ? ? ? 1927 GLU A CA 1 +ATOM 573 C C . GLU A 1 72 ? 31.459 25.539 22.733 1.00 39.22 ? ? ? ? ? ? 1927 GLU A C 1 +ATOM 574 O O . GLU A 1 72 ? 31.051 26.423 23.486 1.00 35.73 ? ? ? ? ? ? 1927 GLU A O 1 +ATOM 575 C CB . GLU A 1 72 ? 33.826 24.715 22.911 1.00 46.91 ? ? ? ? ? ? 1927 GLU A CB 1 +ATOM 576 C CG . GLU A 1 72 ? 34.325 26.079 23.362 1.00 63.97 ? ? ? ? ? ? 1927 GLU A CG 1 +ATOM 577 N N . THR A 1 73 ? 31.130 25.494 21.443 1.00 38.59 ? ? ? ? ? ? 1928 THR A N 1 +ATOM 578 C CA . THR A 1 73 ? 30.324 26.561 20.860 1.00 33.76 ? ? ? ? ? ? 1928 THR A CA 1 +ATOM 579 C C . THR A 1 73 ? 28.870 26.490 21.323 1.00 33.70 ? ? ? ? ? ? 1928 THR A C 1 +ATOM 580 O O . THR A 1 73 ? 28.206 27.518 21.432 1.00 32.64 ? ? ? ? ? ? 1928 THR A O 1 +ATOM 581 C CB . THR A 1 73 ? 30.384 26.548 19.317 1.00 30.44 ? ? ? ? ? ? 1928 THR A CB 1 +ATOM 582 O OG1 . THR A 1 73 ? 29.892 25.298 18.816 1.00 37.12 ? ? ? ? ? ? 1928 THR A OG1 1 +ATOM 583 C CG2 . THR A 1 73 ? 31.808 26.752 18.857 1.00 31.73 ? ? ? ? ? ? 1928 THR A CG2 1 +ATOM 584 N N . PHE A 1 74 ? 28.378 25.285 21.603 1.00 30.48 ? ? ? ? ? ? 1929 PHE A N 1 +ATOM 585 C CA . PHE A 1 74 ? 27.052 25.116 22.203 1.00 29.85 ? ? ? ? ? ? 1929 PHE A CA 1 +ATOM 586 C C . PHE A 1 74 ? 26.994 25.742 23.606 1.00 35.95 ? ? ? ? ? ? 1929 PHE A C 1 +ATOM 587 O O . PHE A 1 74 ? 26.075 26.511 23.937 1.00 30.77 ? ? ? ? ? ? 1929 PHE A O 1 +ATOM 588 C CB . PHE A 1 74 ? 26.688 23.621 22.265 1.00 32.02 ? ? ? ? ? ? 1929 PHE A CB 1 +ATOM 589 C CG . PHE A 1 74 ? 25.453 23.323 23.078 1.00 28.04 ? ? ? ? ? ? 1929 PHE A CG 1 +ATOM 590 C CD1 . PHE A 1 74 ? 24.185 23.520 22.541 1.00 28.81 ? ? ? ? ? ? 1929 PHE A CD1 1 +ATOM 591 C CD2 . PHE A 1 74 ? 25.557 22.827 24.376 1.00 24.98 ? ? ? ? ? ? 1929 PHE A CD2 1 +ATOM 592 C CE1 . PHE A 1 74 ? 23.043 23.240 23.284 1.00 26.80 ? ? ? ? ? ? 1929 PHE A CE1 1 +ATOM 593 C CE2 . PHE A 1 74 ? 24.417 22.552 25.128 1.00 28.74 ? ? ? ? ? ? 1929 PHE A CE2 1 +ATOM 594 C CZ . PHE A 1 74 ? 23.161 22.754 24.580 1.00 30.78 ? ? ? ? ? ? 1929 PHE A CZ 1 +ATOM 595 N N . ALA A 1 75 ? 27.985 25.416 24.432 1.00 31.73 ? ? ? ? ? ? 1930 ALA A N 1 +ATOM 596 C CA . ALA A 1 75 ? 28.056 25.955 25.784 1.00 31.43 ? ? ? ? ? ? 1930 ALA A CA 1 +ATOM 597 C C . ALA A 1 75 ? 28.166 27.482 25.772 1.00 30.25 ? ? ? ? ? ? 1930 ALA A C 1 +ATOM 598 O O . ALA A 1 75 ? 27.612 28.159 26.642 1.00 31.91 ? ? ? ? ? ? 1930 ALA A O 1 +ATOM 599 C CB . ALA A 1 75 ? 29.230 25.350 26.533 1.00 31.56 ? ? ? ? ? ? 1930 ALA A CB 1 +ATOM 600 N N . LEU A 1 76 ? 28.887 28.019 24.796 1.00 34.82 ? ? ? ? ? ? 1931 LEU A N 1 +ATOM 601 C CA . LEU A 1 76 ? 29.039 29.467 24.685 1.00 35.94 ? ? ? ? ? ? 1931 LEU A CA 1 +ATOM 602 C C . LEU A 1 76 ? 27.695 30.170 24.500 1.00 35.82 ? ? ? ? ? ? 1931 LEU A C 1 +ATOM 603 O O . LEU A 1 76 ? 27.444 31.208 25.118 1.00 32.68 ? ? ? ? ? ? 1931 LEU A O 1 +ATOM 604 C CB . LEU A 1 76 ? 29.978 29.824 23.535 1.00 41.45 ? ? ? ? ? ? 1931 LEU A CB 1 +ATOM 605 C CG . LEU A 1 76 ? 31.462 29.590 23.818 1.00 53.37 ? ? ? ? ? ? 1931 LEU A CG 1 +ATOM 606 C CD1 . LEU A 1 76 ? 32.308 29.881 22.586 1.00 57.14 ? ? ? ? ? ? 1931 LEU A CD1 1 +ATOM 607 C CD2 . LEU A 1 76 ? 31.915 30.436 24.997 1.00 60.29 ? ? ? ? ? ? 1931 LEU A CD2 1 +ATOM 608 N N . ASP A 1 77 ? 26.839 29.614 23.647 1.00 31.25 ? ? ? ? ? ? 1932 ASP A N 1 +ATOM 609 C CA . ASP A 1 77 ? 25.517 30.203 23.423 1.00 32.01 ? ? ? ? ? ? 1932 ASP A CA 1 +ATOM 610 C C . ASP A 1 77 ? 24.640 30.072 24.670 1.00 28.29 ? ? ? ? ? ? 1932 ASP A C 1 +ATOM 611 O O . ASP A 1 77 ? 23.914 31.002 25.032 1.00 27.78 ? ? ? ? ? ? 1932 ASP A O 1 +ATOM 612 C CB . ASP A 1 77 ? 24.827 29.556 22.215 1.00 30.42 ? ? ? ? ? ? 1932 ASP A CB 1 +ATOM 613 C CG . ASP A 1 77 ? 25.064 30.328 20.924 1.00 32.46 ? ? ? ? ? ? 1932 ASP A CG 1 +ATOM 614 O OD1 . ASP A 1 77 ? 25.721 31.397 20.973 1.00 38.41 ? ? ? ? ? ? 1932 ASP A OD1 1 +ATOM 615 O OD2 . ASP A 1 77 ? 24.573 29.882 19.862 1.00 32.64 ? ? ? ? ? ? 1932 ASP A OD2 1 +ATOM 616 N N . VAL A 1 78 ? 24.706 28.921 25.333 1.00 26.03 ? ? ? ? ? ? 1933 VAL A N 1 +ATOM 617 C CA . VAL A 1 78 ? 23.919 28.735 26.541 1.00 25.19 ? ? ? ? ? ? 1933 VAL A CA 1 +ATOM 618 C C . VAL A 1 78 ? 24.327 29.778 27.596 1.00 28.73 ? ? ? ? ? ? 1933 VAL A C 1 +ATOM 619 O O . VAL A 1 78 ? 23.479 30.393 28.248 1.00 29.59 ? ? ? ? ? ? 1933 VAL A O 1 +ATOM 620 C CB . VAL A 1 78 ? 24.076 27.309 27.118 1.00 25.85 ? ? ? ? ? ? 1933 VAL A CB 1 +ATOM 621 C CG1 . VAL A 1 78 ? 23.425 27.208 28.497 1.00 28.07 ? ? ? ? ? ? 1933 VAL A CG1 1 +ATOM 622 C CG2 . VAL A 1 78 ? 23.477 26.268 26.154 1.00 25.40 ? ? ? ? ? ? 1933 VAL A CG2 1 +ATOM 623 N N . ARG A 1 79 ? 25.629 29.982 27.754 1.00 28.03 ? ? ? ? ? ? 1934 ARG A N 1 +ATOM 624 C CA . ARG A 1 79 ? 26.113 30.895 28.785 1.00 27.43 ? ? ? ? ? ? 1934 ARG A CA 1 +ATOM 625 C C . ARG A 1 79 ? 25.792 32.332 28.400 1.00 30.65 ? ? ? ? ? ? 1934 ARG A C 1 +ATOM 626 O O . ARG A 1 79 ? 25.539 33.181 29.265 1.00 30.65 ? ? ? ? ? ? 1934 ARG A O 1 +ATOM 627 C CB . ARG A 1 79 ? 27.614 30.708 29.006 1.00 27.29 ? ? ? ? ? ? 1934 ARG A CB 1 +ATOM 628 C CG . ARG A 1 79 ? 27.941 29.384 29.669 1.00 33.20 ? ? ? ? ? ? 1934 ARG A CG 1 +ATOM 629 C CD . ARG A 1 79 ? 29.412 29.028 29.597 1.00 34.94 ? ? ? ? ? ? 1934 ARG A CD 1 +ATOM 630 N NE . ARG A 1 79 ? 29.644 27.736 30.235 1.00 38.04 ? ? ? ? ? ? 1934 ARG A NE 1 +ATOM 631 C CZ . ARG A 1 79 ? 30.617 26.893 29.905 1.00 42.83 ? ? ? ? ? ? 1934 ARG A CZ 1 +ATOM 632 N NH1 . ARG A 1 79 ? 31.468 27.197 28.933 1.00 38.09 ? ? ? ? ? ? 1934 ARG A NH1 1 +ATOM 633 N NH2 . ARG A 1 79 ? 30.735 25.740 30.552 1.00 42.69 ? ? ? ? ? ? 1934 ARG A NH2 1 +ATOM 634 N N . LEU A 1 80 ? 25.786 32.588 27.096 1.00 26.99 ? ? ? ? ? ? 1935 LEU A N 1 +ATOM 635 C CA . LEU A 1 80 ? 25.410 33.889 26.561 1.00 29.07 ? ? ? ? ? ? 1935 LEU A CA 1 +ATOM 636 C C . LEU A 1 80 ? 23.992 34.253 26.989 1.00 32.51 ? ? ? ? ? ? 1935 LEU A C 1 +ATOM 637 O O . LEU A 1 80 ? 23.719 35.411 27.317 1.00 27.66 ? ? ? ? ? ? 1935 LEU A O 1 +ATOM 638 C CB . LEU A 1 80 ? 25.530 33.892 25.028 1.00 28.32 ? ? ? ? ? ? 1935 LEU A CB 1 +ATOM 639 C CG . LEU A 1 80 ? 25.028 35.120 24.273 1.00 27.58 ? ? ? ? ? ? 1935 LEU A CG 1 +ATOM 640 C CD1 . LEU A 1 80 ? 25.833 36.375 24.639 1.00 30.42 ? ? ? ? ? ? 1935 LEU A CD1 1 +ATOM 641 C CD2 . LEU A 1 80 ? 25.068 34.867 22.757 1.00 27.70 ? ? ? ? ? ? 1935 LEU A CD2 1 +ATOM 642 N N . VAL A 1 81 ? 23.095 33.266 27.008 1.00 26.26 ? ? ? ? ? ? 1936 VAL A N 1 +ATOM 643 C CA . VAL A 1 81 ? 21.736 33.512 27.486 1.00 27.50 ? ? ? ? ? ? 1936 VAL A CA 1 +ATOM 644 C C . VAL A 1 81 ? 21.759 34.102 28.905 1.00 32.28 ? ? ? ? ? ? 1936 VAL A C 1 +ATOM 645 O O . VAL A 1 81 ? 21.052 35.067 29.211 1.00 27.70 ? ? ? ? ? ? 1936 VAL A O 1 +ATOM 646 C CB . VAL A 1 81 ? 20.885 32.224 27.497 1.00 28.63 ? ? ? ? ? ? 1936 VAL A CB 1 +ATOM 647 C CG1 . VAL A 1 81 ? 19.557 32.467 28.211 1.00 24.40 ? ? ? ? ? ? 1936 VAL A CG1 1 +ATOM 648 C CG2 . VAL A 1 81 ? 20.660 31.681 26.065 1.00 24.09 ? ? ? ? ? ? 1936 VAL A CG2 1 +ATOM 649 N N . PHE A 1 82 ? 22.587 33.533 29.774 1.00 27.41 ? ? ? ? ? ? 1937 PHE A N 1 +ATOM 650 C CA . PHE A 1 82 ? 22.579 33.975 31.170 1.00 26.33 ? ? ? ? ? ? 1937 PHE A CA 1 +ATOM 651 C C . PHE A 1 82 ? 23.418 35.227 31.406 1.00 29.45 ? ? ? ? ? ? 1937 PHE A C 1 +ATOM 652 O O . PHE A 1 82 ? 23.106 36.028 32.290 1.00 29.67 ? ? ? ? ? ? 1937 PHE A O 1 +ATOM 653 C CB . PHE A 1 82 ? 23.025 32.819 32.060 1.00 25.80 ? ? ? ? ? ? 1937 PHE A CB 1 +ATOM 654 C CG . PHE A 1 82 ? 22.212 31.597 31.840 1.00 30.27 ? ? ? ? ? ? 1937 PHE A CG 1 +ATOM 655 C CD1 . PHE A 1 82 ? 20.830 31.686 31.834 1.00 28.31 ? ? ? ? ? ? 1937 PHE A CD1 1 +ATOM 656 C CD2 . PHE A 1 82 ? 22.806 30.386 31.555 1.00 30.22 ? ? ? ? ? ? 1937 PHE A CD2 1 +ATOM 657 C CE1 . PHE A 1 82 ? 20.059 30.577 31.586 1.00 31.20 ? ? ? ? ? ? 1937 PHE A CE1 1 +ATOM 658 C CE2 . PHE A 1 82 ? 22.031 29.260 31.311 1.00 35.06 ? ? ? ? ? ? 1937 PHE A CE2 1 +ATOM 659 C CZ . PHE A 1 82 ? 20.657 29.367 31.319 1.00 32.47 ? ? ? ? ? ? 1937 PHE A CZ 1 +ATOM 660 N N . ASP A 1 83 ? 24.467 35.402 30.611 1.00 29.08 ? ? ? ? ? ? 1938 ASP A N 1 +ATOM 661 C CA . ASP A 1 83 ? 25.234 36.642 30.618 1.00 32.04 ? ? ? ? ? ? 1938 ASP A CA 1 +ATOM 662 C C . ASP A 1 83 ? 24.380 37.831 30.187 1.00 34.86 ? ? ? ? ? ? 1938 ASP A C 1 +ATOM 663 O O . ASP A 1 83 ? 24.466 38.909 30.780 1.00 29.17 ? ? ? ? ? ? 1938 ASP A O 1 +ATOM 664 C CB . ASP A 1 83 ? 26.452 36.528 29.706 1.00 32.61 ? ? ? ? ? ? 1938 ASP A CB 1 +ATOM 665 C CG . ASP A 1 83 ? 27.500 35.589 30.256 1.00 38.89 ? ? ? ? ? ? 1938 ASP A CG 1 +ATOM 666 O OD1 . ASP A 1 83 ? 27.415 35.232 31.456 1.00 32.48 ? ? ? ? ? ? 1938 ASP A OD1 1 +ATOM 667 O OD2 . ASP A 1 83 ? 28.418 35.218 29.494 1.00 35.36 ? ? ? ? ? ? 1938 ASP A OD2 1 +ATOM 668 N N . ASN A 1 84 ? 23.574 37.640 29.145 1.00 30.48 ? ? ? ? ? ? 1939 ASN A N 1 +ATOM 669 C CA . ASN A 1 84 ? 22.634 38.674 28.723 1.00 33.26 ? ? ? ? ? ? 1939 ASN A CA 1 +ATOM 670 C C . ASN A 1 84 ? 21.654 38.984 29.840 1.00 32.30 ? ? ? ? ? ? 1939 ASN A C 1 +ATOM 671 O O . ASN A 1 84 ? 21.332 40.146 30.095 1.00 30.36 ? ? ? ? ? ? 1939 ASN A O 1 +ATOM 672 C CB . ASN A 1 84 ? 21.857 38.255 27.472 1.00 25.18 ? ? ? ? ? ? 1939 ASN A CB 1 +ATOM 673 C CG . ASN A 1 84 ? 22.709 38.251 26.215 1.00 29.97 ? ? ? ? ? ? 1939 ASN A CG 1 +ATOM 674 O OD1 . ASN A 1 84 ? 23.794 38.836 26.176 1.00 28.27 ? ? ? ? ? ? 1939 ASN A OD1 1 +ATOM 675 N ND2 . ASN A 1 84 ? 22.198 37.612 25.159 1.00 26.96 ? ? ? ? ? ? 1939 ASN A ND2 1 +ATOM 676 N N . CYS A 1 85 ? 21.179 37.932 30.501 1.00 31.32 ? ? ? ? ? ? 1940 CYS A N 1 +ATOM 677 C CA . CYS A 1 85 ? 20.194 38.085 31.560 1.00 29.13 ? ? ? ? ? ? 1940 CYS A CA 1 +ATOM 678 C C . CYS A 1 85 ? 20.763 38.940 32.694 1.00 31.24 ? ? ? ? ? ? 1940 CYS A C 1 +ATOM 679 O O . CYS A 1 85 ? 20.077 39.811 33.227 1.00 31.83 ? ? ? ? ? ? 1940 CYS A O 1 +ATOM 680 C CB . CYS A 1 85 ? 19.749 36.707 32.085 1.00 28.82 ? ? ? ? ? ? 1940 CYS A CB 1 +ATOM 681 S SG . CYS A 1 85 ? 18.470 36.758 33.375 1.00 29.95 ? ? ? ? ? ? 1940 CYS A SG 1 +ATOM 682 N N . GLU A 1 86 ? 22.023 38.697 33.051 1.00 28.43 ? ? ? ? ? ? 1941 GLU A N 1 +ATOM 683 C CA . GLU A 1 86 ? 22.669 39.493 34.090 1.00 31.75 ? ? ? ? ? ? 1941 GLU A CA 1 +ATOM 684 C C . GLU A 1 86 ? 22.862 40.940 33.655 1.00 34.58 ? ? ? ? ? ? 1941 GLU A C 1 +ATOM 685 O O . GLU A 1 86 ? 22.776 41.856 34.470 1.00 31.05 ? ? ? ? ? ? 1941 GLU A O 1 +ATOM 686 C CB . GLU A 1 86 ? 24.024 38.904 34.476 1.00 36.13 ? ? ? ? ? ? 1941 GLU A CB 1 +ATOM 687 C CG . GLU A 1 86 ? 23.948 37.594 35.232 1.00 35.39 ? ? ? ? ? ? 1941 GLU A CG 1 +ATOM 688 C CD . GLU A 1 86 ? 25.213 37.326 36.023 1.00 38.45 ? ? ? ? ? ? 1941 GLU A CD 1 +ATOM 689 O OE1 . GLU A 1 86 ? 25.676 38.250 36.725 1.00 39.90 ? ? ? ? ? ? 1941 GLU A OE1 1 +ATOM 690 O OE2 . GLU A 1 86 ? 25.743 36.198 35.947 1.00 43.60 ? ? ? ? ? ? 1941 GLU A OE2 1 +ATOM 691 N N . THR A 1 87 ? 23.148 41.144 32.376 1.00 31.32 ? ? ? ? ? ? 1942 THR A N 1 +ATOM 692 C CA . THR A 1 87 ? 23.340 42.498 31.854 1.00 28.96 ? ? ? ? ? ? 1942 THR A CA 1 +ATOM 693 C C . THR A 1 87 ? 22.060 43.335 31.958 1.00 32.76 ? ? ? ? ? ? 1942 THR A C 1 +ATOM 694 O O . THR A 1 87 ? 22.109 44.534 32.235 1.00 30.32 ? ? ? ? ? ? 1942 THR A O 1 +ATOM 695 C CB . THR A 1 87 ? 23.816 42.460 30.385 1.00 28.57 ? ? ? ? ? ? 1942 THR A CB 1 +ATOM 696 O OG1 . THR A 1 87 ? 25.111 41.849 30.326 1.00 32.82 ? ? ? ? ? ? 1942 THR A OG1 1 +ATOM 697 C CG2 . THR A 1 87 ? 23.904 43.872 29.800 1.00 30.17 ? ? ? ? ? ? 1942 THR A CG2 1 +ATOM 698 N N . PHE A 1 88 ? 20.914 42.692 31.755 1.00 29.35 ? ? ? ? ? ? 1943 PHE A N 1 +ATOM 699 C CA . PHE A 1 88 ? 19.650 43.410 31.635 1.00 34.04 ? ? ? ? ? ? 1943 PHE A CA 1 +ATOM 700 C C . PHE A 1 88 ? 18.744 43.304 32.858 1.00 34.49 ? ? ? ? ? ? 1943 PHE A C 1 +ATOM 701 O O . PHE A 1 88 ? 17.689 43.949 32.896 1.00 35.90 ? ? ? ? ? ? 1943 PHE A O 1 +ATOM 702 C CB . PHE A 1 88 ? 18.888 42.912 30.401 1.00 29.33 ? ? ? ? ? ? 1943 PHE A CB 1 +ATOM 703 C CG . PHE A 1 88 ? 17.982 43.944 29.782 1.00 32.47 ? ? ? ? ? ? 1943 PHE A CG 1 +ATOM 704 C CD1 . PHE A 1 88 ? 18.507 44.976 29.017 1.00 31.42 ? ? ? ? ? ? 1943 PHE A CD1 1 +ATOM 705 C CD2 . PHE A 1 88 ? 16.609 43.874 29.952 1.00 29.77 ? ? ? ? ? ? 1943 PHE A CD2 1 +ATOM 706 C CE1 . PHE A 1 88 ? 17.679 45.928 28.434 1.00 36.08 ? ? ? ? ? ? 1943 PHE A CE1 1 +ATOM 707 C CE2 . PHE A 1 88 ? 15.778 44.822 29.377 1.00 31.01 ? ? ? ? ? ? 1943 PHE A CE2 1 +ATOM 708 C CZ . PHE A 1 88 ? 16.314 45.852 28.617 1.00 37.00 ? ? ? ? ? ? 1943 PHE A CZ 1 +ATOM 709 N N . ASN A 1 89 ? 19.137 42.505 33.854 1.00 28.83 ? ? ? ? ? ? 1944 ASN A N 1 +ATOM 710 C CA . ASN A 1 89 ? 18.284 42.300 35.022 1.00 30.73 ? ? ? ? ? ? 1944 ASN A CA 1 +ATOM 711 C C . ASN A 1 89 ? 19.016 42.414 36.354 1.00 32.65 ? ? ? ? ? ? 1944 ASN A C 1 +ATOM 712 O O . ASN A 1 89 ? 20.125 41.898 36.507 1.00 31.45 ? ? ? ? ? ? 1944 ASN A O 1 +ATOM 713 C CB . ASN A 1 89 ? 17.611 40.927 34.943 1.00 34.61 ? ? ? ? ? ? 1944 ASN A CB 1 +ATOM 714 C CG . ASN A 1 89 ? 16.723 40.785 33.727 1.00 32.63 ? ? ? ? ? ? 1944 ASN A CG 1 +ATOM 715 O OD1 . ASN A 1 89 ? 15.546 41.142 33.760 1.00 35.63 ? ? ? ? ? ? 1944 ASN A OD1 1 +ATOM 716 N ND2 . ASN A 1 89 ? 17.280 40.252 32.646 1.00 27.99 ? ? ? ? ? ? 1944 ASN A ND2 1 +ATOM 717 N N . GLU A 1 90 ? 18.386 43.090 37.313 1.00 32.24 ? ? ? ? ? ? 1945 GLU A N 1 +ATOM 718 C CA . GLU A 1 90 ? 18.886 43.108 38.677 1.00 33.29 ? ? ? ? ? ? 1945 GLU A CA 1 +ATOM 719 C C . GLU A 1 90 ? 18.905 41.679 39.231 1.00 32.47 ? ? ? ? ? ? 1945 GLU A C 1 +ATOM 720 O O . GLU A 1 90 ? 17.983 40.909 38.976 1.00 31.39 ? ? ? ? ? ? 1945 GLU A O 1 +ATOM 721 C CB A GLU A 1 90 ? 18.011 43.988 39.579 0.38 35.34 ? ? ? ? ? ? 1945 GLU A CB 1 +ATOM 722 C CB B GLU A 1 90 ? 18.042 44.036 39.556 0.62 35.37 ? ? ? ? ? ? 1945 GLU A CB 1 +ATOM 723 C CG A GLU A 1 90 ? 17.770 45.411 39.096 0.38 42.01 ? ? ? ? ? ? 1945 GLU A CG 1 +ATOM 724 C CG B GLU A 1 90 ? 18.309 45.531 39.315 0.62 37.27 ? ? ? ? ? ? 1945 GLU A CG 1 +ATOM 725 C CD A GLU A 1 90 ? 16.688 46.118 39.901 0.38 54.23 ? ? ? ? ? ? 1945 GLU A CD 1 +ATOM 726 C CD B GLU A 1 90 ? 19.695 45.965 39.774 0.62 40.34 ? ? ? ? ? ? 1945 GLU A CD 1 +ATOM 727 O OE1 A GLU A 1 90 ? 16.878 46.321 41.121 0.38 56.59 ? ? ? ? ? ? 1945 GLU A OE1 1 +ATOM 728 O OE1 B GLU A 1 90 ? 20.288 45.277 40.633 0.62 46.18 ? ? ? ? ? ? 1945 GLU A OE1 1 +ATOM 729 O OE2 A GLU A 1 90 ? 15.643 46.466 39.312 0.38 62.75 ? ? ? ? ? ? 1945 GLU A OE2 1 +ATOM 730 O OE2 B GLU A 1 90 ? 20.196 46.993 39.282 0.62 44.10 ? ? ? ? ? ? 1945 GLU A OE2 1 +ATOM 731 N N . ASP A 1 91 ? 19.954 41.340 39.975 1.00 35.86 ? ? ? ? ? ? 1946 ASP A N 1 +ATOM 732 C CA . ASP A 1 91 ? 20.018 40.057 40.675 1.00 36.39 ? ? ? ? ? ? 1946 ASP A CA 1 +ATOM 733 C C . ASP A 1 91 ? 18.778 39.863 41.539 1.00 42.48 ? ? ? ? ? ? 1946 ASP A C 1 +ATOM 734 O O . ASP A 1 91 ? 18.210 38.773 41.594 1.00 40.19 ? ? ? ? ? ? 1946 ASP A O 1 +ATOM 735 C CB . ASP A 1 91 ? 21.269 39.965 41.550 1.00 36.05 ? ? ? ? ? ? 1946 ASP A CB 1 +ATOM 736 C CG . ASP A 1 91 ? 22.543 39.886 40.746 1.00 42.27 ? ? ? ? ? ? 1946 ASP A CG 1 +ATOM 737 O OD1 . ASP A 1 91 ? 22.476 39.556 39.545 1.00 37.88 ? ? ? ? ? ? 1946 ASP A OD1 1 +ATOM 738 O OD2 . ASP A 1 91 ? 23.617 40.146 41.324 1.00 46.40 ? ? ? ? ? ? 1946 ASP A OD2 1 +ATOM 739 N N . ASP A 1 92 ? 18.365 40.934 42.211 1.00 38.15 ? ? ? ? ? ? 1947 ASP A N 1 +ATOM 740 C CA . ASP A 1 92 ? 17.180 40.900 43.061 1.00 43.91 ? ? ? ? ? ? 1947 ASP A CA 1 +ATOM 741 C C . ASP A 1 92 ? 15.919 41.183 42.245 1.00 39.14 ? ? ? ? ? ? 1947 ASP A C 1 +ATOM 742 O O . ASP A 1 92 ? 15.275 42.227 42.401 1.00 40.30 ? ? ? ? ? ? 1947 ASP A O 1 +ATOM 743 C CB . ASP A 1 92 ? 17.310 41.904 44.215 1.00 43.31 ? ? ? ? ? ? 1947 ASP A CB 1 +ATOM 744 C CG . ASP A 1 92 ? 16.215 41.745 45.255 1.00 52.31 ? ? ? ? ? ? 1947 ASP A CG 1 +ATOM 745 O OD1 . ASP A 1 92 ? 15.443 40.763 45.171 1.00 47.68 ? ? ? ? ? ? 1947 ASP A OD1 1 +ATOM 746 O OD2 . ASP A 1 92 ? 16.137 42.597 46.168 1.00 56.72 ? ? ? ? ? ? 1947 ASP A OD2 1 +ATOM 747 N N . SER A 1 93 ? 15.588 40.239 41.371 1.00 38.75 ? ? ? ? ? ? 1948 SER A N 1 +ATOM 748 C CA . SER A 1 93 ? 14.357 40.264 40.593 1.00 39.48 ? ? ? ? ? ? 1948 SER A CA 1 +ATOM 749 C C . SER A 1 93 ? 14.030 38.826 40.217 1.00 33.30 ? ? ? ? ? ? 1948 SER A C 1 +ATOM 750 O O . SER A 1 93 ? 14.900 37.955 40.303 1.00 35.25 ? ? ? ? ? ? 1948 SER A O 1 +ATOM 751 C CB . SER A 1 93 ? 14.493 41.151 39.343 1.00 38.54 ? ? ? ? ? ? 1948 SER A CB 1 +ATOM 752 O OG . SER A 1 93 ? 15.382 40.592 38.385 1.00 32.01 ? ? ? ? ? ? 1948 SER A OG 1 +ATOM 753 N N . ASP A 1 94 ? 12.791 38.561 39.811 1.00 35.44 ? ? ? ? ? ? 1949 ASP A N 1 +ATOM 754 C CA . ASP A 1 94 ? 12.407 37.194 39.422 1.00 33.10 ? ? ? ? ? ? 1949 ASP A CA 1 +ATOM 755 C C . ASP A 1 94 ? 13.248 36.653 38.260 1.00 33.47 ? ? ? ? ? ? 1949 ASP A C 1 +ATOM 756 O O . ASP A 1 94 ? 13.710 35.506 38.288 1.00 32.07 ? ? ? ? ? ? 1949 ASP A O 1 +ATOM 757 C CB . ASP A 1 94 ? 10.920 37.138 39.050 1.00 37.99 ? ? ? ? ? ? 1949 ASP A CB 1 +ATOM 758 C CG . ASP A 1 94 ? 10.005 37.337 40.253 1.00 48.36 ? ? ? ? ? ? 1949 ASP A CG 1 +ATOM 759 O OD1 . ASP A 1 94 ? 9.739 36.355 40.978 1.00 41.29 ? ? ? ? ? ? 1949 ASP A OD1 1 +ATOM 760 O OD2 . ASP A 1 94 ? 9.538 38.475 40.467 1.00 56.01 ? ? ? ? ? ? 1949 ASP A OD2 1 +ATOM 761 N N . ILE A 1 95 ? 13.445 37.481 37.241 1.00 30.24 ? ? ? ? ? ? 1950 ILE A N 1 +ATOM 762 C CA . ILE A 1 95 ? 14.180 37.055 36.048 1.00 30.04 ? ? ? ? ? ? 1950 ILE A CA 1 +ATOM 763 C C . ILE A 1 95 ? 15.668 36.953 36.371 1.00 32.86 ? ? ? ? ? ? 1950 ILE A C 1 +ATOM 764 O O . ILE A 1 95 ? 16.347 36.033 35.916 1.00 30.59 ? ? ? ? ? ? 1950 ILE A O 1 +ATOM 765 C CB . ILE A 1 95 ? 13.927 38.029 34.871 1.00 33.92 ? ? ? ? ? ? 1950 ILE A CB 1 +ATOM 766 C CG1 . ILE A 1 95 ? 12.476 37.904 34.411 1.00 33.14 ? ? ? ? ? ? 1950 ILE A CG1 1 +ATOM 767 C CG2 . ILE A 1 95 ? 14.886 37.780 33.705 1.00 35.56 ? ? ? ? ? ? 1950 ILE A CG2 1 +ATOM 768 C CD1 . ILE A 1 95 ? 12.095 38.915 33.365 1.00 36.92 ? ? ? ? ? ? 1950 ILE A CD1 1 +ATOM 769 N N . GLY A 1 96 ? 16.165 37.891 37.176 1.00 32.60 ? ? ? ? ? ? 1951 GLY A N 1 +ATOM 770 C CA . GLY A 1 96 ? 17.537 37.839 37.656 1.00 30.59 ? ? ? ? ? ? 1951 GLY A CA 1 +ATOM 771 C C . GLY A 1 96 ? 17.839 36.536 38.387 1.00 36.77 ? ? ? ? ? ? 1951 GLY A C 1 +ATOM 772 O O . GLY A 1 96 ? 18.833 35.861 38.109 1.00 33.48 ? ? ? ? ? ? 1951 GLY A O 1 +ATOM 773 N N . ARG A 1 97 ? 16.970 36.171 39.320 1.00 32.93 ? ? ? ? ? ? 1952 ARG A N 1 +ATOM 774 C CA . ARG A 1 97 ? 17.131 34.922 40.052 1.00 34.35 ? ? ? ? ? ? 1952 ARG A CA 1 +ATOM 775 C C . ARG A 1 97 ? 17.006 33.712 39.120 1.00 31.54 ? ? ? ? ? ? 1952 ARG A C 1 +ATOM 776 O O . ARG A 1 97 ? 17.763 32.749 39.248 1.00 33.69 ? ? ? ? ? ? 1952 ARG A O 1 +ATOM 777 C CB . ARG A 1 97 ? 16.112 34.837 41.185 1.00 33.09 ? ? ? ? ? ? 1952 ARG A CB 1 +ATOM 778 C CG . ARG A 1 97 ? 16.488 35.691 42.396 1.00 41.69 ? ? ? ? ? ? 1952 ARG A CG 1 +ATOM 779 C CD . ARG A 1 97 ? 15.514 35.495 43.543 1.00 42.50 ? ? ? ? ? ? 1952 ARG A CD 1 +ATOM 780 N NE . ARG A 1 97 ? 14.232 36.143 43.284 1.00 40.68 ? ? ? ? ? ? 1952 ARG A NE 1 +ATOM 781 C CZ . ARG A 1 97 ? 13.961 37.411 43.575 1.00 44.47 ? ? ? ? ? ? 1952 ARG A CZ 1 +ATOM 782 N NH1 . ARG A 1 97 ? 14.885 38.184 44.134 1.00 45.51 ? ? ? ? ? ? 1952 ARG A NH1 1 +ATOM 783 N NH2 . ARG A 1 97 ? 12.762 37.903 43.307 1.00 51.23 ? ? ? ? ? ? 1952 ARG A NH2 1 +ATOM 784 N N . ALA A 1 98 ? 16.050 33.766 38.198 1.00 29.50 ? ? ? ? ? ? 1953 ALA A N 1 +ATOM 785 C CA . ALA A 1 98 ? 15.882 32.690 37.213 1.00 32.25 ? ? ? ? ? ? 1953 ALA A CA 1 +ATOM 786 C C . ALA A 1 98 ? 17.183 32.411 36.472 1.00 29.92 ? ? ? ? ? ? 1953 ALA A C 1 +ATOM 787 O O . ALA A 1 98 ? 17.586 31.248 36.300 1.00 29.24 ? ? ? ? ? ? 1953 ALA A O 1 +ATOM 788 C CB . ALA A 1 98 ? 14.781 33.040 36.220 1.00 29.72 ? ? ? ? ? ? 1953 ALA A CB 1 +ATOM 789 N N . GLY A 1 99 ? 17.839 33.482 36.029 1.00 30.97 ? ? ? ? ? ? 1954 GLY A N 1 +ATOM 790 C CA . GLY A 1 99 ? 19.076 33.351 35.278 1.00 28.98 ? ? ? ? ? ? 1954 GLY A CA 1 +ATOM 791 C C . GLY A 1 99 ? 20.159 32.670 36.087 1.00 30.72 ? ? ? ? ? ? 1954 GLY A C 1 +ATOM 792 O O . GLY A 1 99 ? 20.821 31.744 35.612 1.00 29.33 ? ? ? ? ? ? 1954 GLY A O 1 +ATOM 793 N N . HIS A 1 100 ? 20.339 33.125 37.321 1.00 31.19 ? ? ? ? ? ? 1955 HIS A N 1 +ATOM 794 C CA . HIS A 1 100 ? 21.316 32.505 38.198 1.00 31.81 ? ? ? ? ? ? 1955 HIS A CA 1 +ATOM 795 C C . HIS A 1 100 ? 20.991 31.031 38.433 1.00 33.17 ? ? ? ? ? ? 1955 HIS A C 1 +ATOM 796 O O . HIS A 1 100 ? 21.888 30.188 38.375 1.00 35.31 ? ? ? ? ? ? 1955 HIS A O 1 +ATOM 797 C CB . HIS A 1 100 ? 21.399 33.264 39.529 1.00 35.90 ? ? ? ? ? ? 1955 HIS A CB 1 +ATOM 798 C CG . HIS A 1 100 ? 22.066 34.600 39.410 1.00 40.36 ? ? ? ? ? ? 1955 HIS A CG 1 +ATOM 799 N ND1 . HIS A 1 100 ? 23.424 34.739 39.225 1.00 40.84 ? ? ? ? ? ? 1955 HIS A ND1 1 +ATOM 800 C CD2 . HIS A 1 100 ? 21.559 35.856 39.439 1.00 38.62 ? ? ? ? ? ? 1955 HIS A CD2 1 +ATOM 801 C CE1 . HIS A 1 100 ? 23.726 36.025 39.146 1.00 39.21 ? ? ? ? ? ? 1955 HIS A CE1 1 +ATOM 802 N NE2 . HIS A 1 100 ? 22.613 36.722 39.273 1.00 36.18 ? ? ? ? ? ? 1955 HIS A NE2 1 +ATOM 803 N N . ASN A 1 101 ? 19.722 30.719 38.694 1.00 32.99 ? ? ? ? ? ? 1956 ASN A N 1 +ATOM 804 C CA . ASN A 1 101 ? 19.299 29.326 38.903 1.00 34.70 ? ? ? ? ? ? 1956 ASN A CA 1 +ATOM 805 C C . ASN A 1 101 ? 19.578 28.459 37.676 1.00 34.43 ? ? ? ? ? ? 1956 ASN A C 1 +ATOM 806 O O . ASN A 1 101 ? 20.085 27.343 37.789 1.00 36.59 ? ? ? ? ? ? 1956 ASN A O 1 +ATOM 807 C CB . ASN A 1 101 ? 17.807 29.250 39.229 1.00 34.70 ? ? ? ? ? ? 1956 ASN A CB 1 +ATOM 808 C CG . ASN A 1 101 ? 17.483 29.711 40.637 1.00 40.79 ? ? ? ? ? ? 1956 ASN A CG 1 +ATOM 809 O OD1 . ASN A 1 101 ? 18.375 30.019 41.430 1.00 43.96 ? ? ? ? ? ? 1956 ASN A OD1 1 +ATOM 810 N ND2 . ASN A 1 101 ? 16.191 29.769 40.951 1.00 38.39 ? ? ? ? ? ? 1956 ASN A ND2 1 +ATOM 811 N N . MET A 1 102 ? 19.234 28.985 36.500 1.00 28.43 ? ? ? ? ? ? 1957 MET A N 1 +ATOM 812 C CA . MET A 1 102 ? 19.356 28.207 35.265 1.00 28.51 ? ? ? ? ? ? 1957 MET A CA 1 +ATOM 813 C C . MET A 1 102 ? 20.816 28.021 34.891 1.00 32.93 ? ? ? ? ? ? 1957 MET A C 1 +ATOM 814 O O . MET A 1 102 ? 21.192 26.987 34.350 1.00 30.25 ? ? ? ? ? ? 1957 MET A O 1 +ATOM 815 C CB . MET A 1 102 ? 18.604 28.871 34.114 1.00 27.47 ? ? ? ? ? ? 1957 MET A CB 1 +ATOM 816 C CG . MET A 1 102 ? 17.097 28.897 34.268 1.00 39.52 ? ? ? ? ? ? 1957 MET A CG 1 +ATOM 817 S SD . MET A 1 102 ? 16.345 27.268 34.380 1.00 49.64 ? ? ? ? ? ? 1957 MET A SD 1 +ATOM 818 C CE . MET A 1 102 ? 16.875 26.538 32.833 1.00 45.28 ? ? ? ? ? ? 1957 MET A CE 1 +ATOM 819 N N . ARG A 1 103 ? 21.646 29.016 35.189 1.00 29.70 ? ? ? ? ? ? 1958 ARG A N 1 +ATOM 820 C CA . ARG A 1 103 ? 23.072 28.885 34.919 1.00 32.76 ? ? ? ? ? ? 1958 ARG A CA 1 +ATOM 821 C C . ARG A 1 103 ? 23.687 27.764 35.757 1.00 32.90 ? ? ? ? ? ? 1958 ARG A C 1 +ATOM 822 O O . ARG A 1 103 ? 24.428 26.919 35.246 1.00 33.36 ? ? ? ? ? ? 1958 ARG A O 1 +ATOM 823 C CB . ARG A 1 103 ? 23.808 30.197 35.193 1.00 31.20 ? ? ? ? ? ? 1958 ARG A CB 1 +ATOM 824 C CG . ARG A 1 103 ? 25.253 30.163 34.725 1.00 32.68 ? ? ? ? ? ? 1958 ARG A CG 1 +ATOM 825 C CD . ARG A 1 103 ? 26.096 31.232 35.384 1.00 31.57 ? ? ? ? ? ? 1958 ARG A CD 1 +ATOM 826 N NE . ARG A 1 103 ? 25.736 32.575 34.924 1.00 31.75 ? ? ? ? ? ? 1958 ARG A NE 1 +ATOM 827 C CZ . ARG A 1 103 ? 26.204 33.146 33.817 1.00 35.48 ? ? ? ? ? ? 1958 ARG A CZ 1 +ATOM 828 N NH1 . ARG A 1 103 ? 27.050 32.489 33.024 1.00 32.53 ? ? ? ? ? ? 1958 ARG A NH1 1 +ATOM 829 N NH2 . ARG A 1 103 ? 25.819 34.378 33.499 1.00 30.07 ? ? ? ? ? ? 1958 ARG A NH2 1 +ATOM 830 N N . LYS A 1 104 ? 23.374 27.766 37.048 1.00 32.49 ? ? ? ? ? ? 1959 LYS A N 1 +ATOM 831 C CA . LYS A 1 104 ? 23.852 26.728 37.954 1.00 32.19 ? ? ? ? ? ? 1959 LYS A CA 1 +ATOM 832 C C . LYS A 1 104 ? 23.352 25.369 37.481 1.00 35.33 ? ? ? ? ? ? 1959 LYS A C 1 +ATOM 833 O O . LYS A 1 104 ? 24.099 24.389 37.459 1.00 36.31 ? ? ? ? ? ? 1959 LYS A O 1 +ATOM 834 C CB . LYS A 1 104 ? 23.385 27.010 39.384 1.00 33.87 ? ? ? ? ? ? 1959 LYS A CB 1 +ATOM 835 C CG . LYS A 1 104 ? 23.866 25.994 40.405 1.00 43.97 ? ? ? ? ? ? 1959 LYS A CG 1 +ATOM 836 C CD . LYS A 1 104 ? 25.302 26.262 40.817 1.00 51.40 ? ? ? ? ? ? 1959 LYS A CD 1 +ATOM 837 N N . TYR A 1 105 ? 22.082 25.329 37.093 1.00 32.80 ? ? ? ? ? ? 1960 TYR A N 1 +ATOM 838 C CA . TYR A 1 105 ? 21.460 24.112 36.601 1.00 36.37 ? ? ? ? ? ? 1960 TYR A CA 1 +ATOM 839 C C . TYR A 1 105 ? 22.227 23.581 35.389 1.00 37.71 ? ? ? ? ? ? 1960 TYR A C 1 +ATOM 840 O O . TYR A 1 105 ? 22.574 22.398 35.340 1.00 33.30 ? ? ? ? ? ? 1960 TYR A O 1 +ATOM 841 C CB . TYR A 1 105 ? 19.992 24.369 36.251 1.00 30.23 ? ? ? ? ? ? 1960 TYR A CB 1 +ATOM 842 C CG . TYR A 1 105 ? 19.191 23.115 35.960 1.00 40.26 ? ? ? ? ? ? 1960 TYR A CG 1 +ATOM 843 C CD1 . TYR A 1 105 ? 18.833 22.234 36.984 1.00 41.13 ? ? ? ? ? ? 1960 TYR A CD1 1 +ATOM 844 C CD2 . TYR A 1 105 ? 18.783 22.816 34.664 1.00 33.74 ? ? ? ? ? ? 1960 TYR A CD2 1 +ATOM 845 C CE1 . TYR A 1 105 ? 18.095 21.083 36.716 1.00 41.13 ? ? ? ? ? ? 1960 TYR A CE1 1 +ATOM 846 C CE2 . TYR A 1 105 ? 18.042 21.678 34.393 1.00 33.48 ? ? ? ? ? ? 1960 TYR A CE2 1 +ATOM 847 C CZ . TYR A 1 105 ? 17.705 20.817 35.416 1.00 36.28 ? ? ? ? ? ? 1960 TYR A CZ 1 +ATOM 848 O OH . TYR A 1 105 ? 16.972 19.687 35.128 1.00 45.03 ? ? ? ? ? ? 1960 TYR A OH 1 +ATOM 849 N N . PHE A 1 106 ? 22.513 24.465 34.437 1.00 31.27 ? ? ? ? ? ? 1961 PHE A N 1 +ATOM 850 C CA . PHE A 1 106 ? 23.262 24.083 33.235 1.00 31.21 ? ? ? ? ? ? 1961 PHE A CA 1 +ATOM 851 C C . PHE A 1 106 ? 24.652 23.563 33.541 1.00 32.40 ? ? ? ? ? ? 1961 PHE A C 1 +ATOM 852 O O . PHE A 1 106 ? 25.042 22.504 33.063 1.00 32.91 ? ? ? ? ? ? 1961 PHE A O 1 +ATOM 853 C CB . PHE A 1 106 ? 23.419 25.254 32.274 1.00 28.14 ? ? ? ? ? ? 1961 PHE A CB 1 +ATOM 854 C CG . PHE A 1 106 ? 24.362 24.954 31.127 1.00 30.53 ? ? ? ? ? ? 1961 PHE A CG 1 +ATOM 855 C CD1 . PHE A 1 106 ? 23.998 24.060 30.134 1.00 30.88 ? ? ? ? ? ? 1961 PHE A CD1 1 +ATOM 856 C CD2 . PHE A 1 106 ? 25.617 25.546 31.060 1.00 32.26 ? ? ? ? ? ? 1961 PHE A CD2 1 +ATOM 857 C CE1 . PHE A 1 106 ? 24.857 23.772 29.081 1.00 29.70 ? ? ? ? ? ? 1961 PHE A CE1 1 +ATOM 858 C CE2 . PHE A 1 106 ? 26.484 25.258 30.005 1.00 32.55 ? ? ? ? ? ? 1961 PHE A CE2 1 +ATOM 859 C CZ . PHE A 1 106 ? 26.105 24.372 29.023 1.00 28.34 ? ? ? ? ? ? 1961 PHE A CZ 1 +ATOM 860 N N . GLU A 1 107 ? 25.406 24.328 34.324 1.00 33.72 ? ? ? ? ? ? 1962 GLU A N 1 +ATOM 861 C CA . GLU A 1 107 ? 26.809 24.010 34.550 1.00 37.64 ? ? ? ? ? ? 1962 GLU A CA 1 +ATOM 862 C C . GLU A 1 107 ? 26.988 22.655 35.226 1.00 39.50 ? ? ? ? ? ? 1962 GLU A C 1 +ATOM 863 O O . GLU A 1 107 ? 27.959 21.952 34.954 1.00 36.63 ? ? ? ? ? ? 1962 GLU A O 1 +ATOM 864 C CB . GLU A 1 107 ? 27.486 25.111 35.371 1.00 39.16 ? ? ? ? ? ? 1962 GLU A CB 1 +ATOM 865 C CG . GLU A 1 107 ? 27.549 26.475 34.649 1.00 39.91 ? ? ? ? ? ? 1962 GLU A CG 1 +ATOM 866 C CD . GLU A 1 107 ? 28.307 26.437 33.316 1.00 47.97 ? ? ? ? ? ? 1962 GLU A CD 1 +ATOM 867 O OE1 . GLU A 1 107 ? 29.002 25.435 33.020 1.00 42.54 ? ? ? ? ? ? 1962 GLU A OE1 1 +ATOM 868 O OE2 . GLU A 1 107 ? 28.208 27.428 32.558 1.00 37.48 ? ? ? ? ? ? 1962 GLU A OE2 1 +ATOM 869 N N . LYS A 1 108 ? 26.050 22.276 36.088 1.00 37.04 ? ? ? ? ? ? 1963 LYS A N 1 +ATOM 870 C CA . LYS A 1 108 ? 26.137 20.954 36.716 1.00 41.72 ? ? ? ? ? ? 1963 LYS A CA 1 +ATOM 871 C C . LYS A 1 108 ? 25.835 19.846 35.711 1.00 40.43 ? ? ? ? ? ? 1963 LYS A C 1 +ATOM 872 O O . LYS A 1 108 ? 26.542 18.836 35.675 1.00 42.16 ? ? ? ? ? ? 1963 LYS A O 1 +ATOM 873 C CB . LYS A 1 108 ? 25.191 20.833 37.909 1.00 40.30 ? ? ? ? ? ? 1963 LYS A CB 1 +ATOM 874 C CG . LYS A 1 108 ? 25.520 19.621 38.793 1.00 50.69 ? ? ? ? ? ? 1963 LYS A CG 1 +ATOM 875 C CD . LYS A 1 108 ? 24.282 19.018 39.423 1.00 58.23 ? ? ? ? ? ? 1963 LYS A CD 1 +ATOM 876 C CE . LYS A 1 108 ? 24.642 18.038 40.538 1.00 62.27 ? ? ? ? ? ? 1963 LYS A CE 1 +ATOM 877 N NZ . LYS A 1 108 ? 25.690 17.053 40.151 1.00 55.24 ? ? ? ? ? ? 1963 LYS A NZ 1 +ATOM 878 N N . LYS A 1 109 ? 24.778 20.027 34.918 1.00 36.41 ? ? ? ? ? ? 1964 LYS A N 1 +ATOM 879 C CA . LYS A 1 109 ? 24.452 19.070 33.856 1.00 38.89 ? ? ? ? ? ? 1964 LYS A CA 1 +ATOM 880 C C . LYS A 1 109 ? 25.639 18.936 32.918 1.00 36.92 ? ? ? ? ? ? 1964 LYS A C 1 +ATOM 881 O O . LYS A 1 109 ? 25.984 17.839 32.483 1.00 39.37 ? ? ? ? ? ? 1964 LYS A O 1 +ATOM 882 C CB . LYS A 1 109 ? 23.215 19.508 33.061 1.00 38.49 ? ? ? ? ? ? 1964 LYS A CB 1 +ATOM 883 C CG . LYS A 1 109 ? 21.915 19.561 33.850 1.00 47.19 ? ? ? ? ? ? 1964 LYS A CG 1 +ATOM 884 C CD . LYS A 1 109 ? 21.390 18.172 34.161 1.00 56.84 ? ? ? ? ? ? 1964 LYS A CD 1 +ATOM 885 C CE . LYS A 1 109 ? 20.048 18.232 34.877 1.00 57.29 ? ? ? ? ? ? 1964 LYS A CE 1 +ATOM 886 N N . TRP A 1 110 ? 26.267 20.068 32.617 1.00 35.24 ? ? ? ? ? ? 1965 TRP A N 1 +ATOM 887 C CA . TRP A 1 110 ? 27.410 20.094 31.715 1.00 36.43 ? ? ? ? ? ? 1965 TRP A CA 1 +ATOM 888 C C . TRP A 1 110 ? 28.555 19.268 32.286 1.00 41.14 ? ? ? ? ? ? 1965 TRP A C 1 +ATOM 889 O O . TRP A 1 110 ? 29.107 18.407 31.610 1.00 39.79 ? ? ? ? ? ? 1965 TRP A O 1 +ATOM 890 C CB . TRP A 1 110 ? 27.853 21.538 31.459 1.00 34.92 ? ? ? ? ? ? 1965 TRP A CB 1 +ATOM 891 C CG . TRP A 1 110 ? 28.814 21.688 30.316 1.00 34.06 ? ? ? ? ? ? 1965 TRP A CG 1 +ATOM 892 C CD1 . TRP A 1 110 ? 30.143 21.986 30.396 1.00 39.20 ? ? ? ? ? ? 1965 TRP A CD1 1 +ATOM 893 C CD2 . TRP A 1 110 ? 28.524 21.526 28.921 1.00 29.86 ? ? ? ? ? ? 1965 TRP A CD2 1 +ATOM 894 N NE1 . TRP A 1 110 ? 30.694 22.033 29.140 1.00 39.13 ? ? ? ? ? ? 1965 TRP A NE1 1 +ATOM 895 C CE2 . TRP A 1 110 ? 29.722 21.749 28.217 1.00 29.67 ? ? ? ? ? ? 1965 TRP A CE2 1 +ATOM 896 C CE3 . TRP A 1 110 ? 27.366 21.222 28.200 1.00 24.15 ? ? ? ? ? ? 1965 TRP A CE3 1 +ATOM 897 C CZ2 . TRP A 1 110 ? 29.797 21.679 26.824 1.00 27.82 ? ? ? ? ? ? 1965 TRP A CZ2 1 +ATOM 898 C CZ3 . TRP A 1 110 ? 27.443 21.156 26.814 1.00 28.78 ? ? ? ? ? ? 1965 TRP A CZ3 1 +ATOM 899 C CH2 . TRP A 1 110 ? 28.649 21.385 26.146 1.00 26.52 ? ? ? ? ? ? 1965 TRP A CH2 1 +ATOM 900 N N . THR A 1 111 ? 28.891 19.519 33.546 1.00 36.20 ? ? ? ? ? ? 1966 THR A N 1 +ATOM 901 C CA . THR A 1 111 ? 29.960 18.784 34.204 1.00 48.09 ? ? ? ? ? ? 1966 THR A CA 1 +ATOM 902 C C . THR A 1 111 ? 29.626 17.299 34.329 1.00 47.68 ? ? ? ? ? ? 1966 THR A C 1 +ATOM 903 O O . THR A 1 111 ? 30.461 16.443 34.032 1.00 52.24 ? ? ? ? ? ? 1966 THR A O 1 +ATOM 904 C CB . THR A 1 111 ? 30.254 19.363 35.599 1.00 51.62 ? ? ? ? ? ? 1966 THR A CB 1 +ATOM 905 O OG1 . THR A 1 111 ? 30.772 20.692 35.456 1.00 59.18 ? ? ? ? ? ? 1966 THR A OG1 1 +ATOM 906 C CG2 . THR A 1 111 ? 31.273 18.511 36.327 1.00 60.31 ? ? ? ? ? ? 1966 THR A CG2 1 +ATOM 907 N N . ASP A 1 112 ? 28.404 16.993 34.760 1.00 48.06 ? ? ? ? ? ? 1967 ASP A N 1 +ATOM 908 C CA . ASP A 1 112 ? 27.997 15.601 34.957 1.00 49.92 ? ? ? ? ? ? 1967 ASP A CA 1 +ATOM 909 C C . ASP A 1 112 ? 27.962 14.815 33.654 1.00 48.00 ? ? ? ? ? ? 1967 ASP A C 1 +ATOM 910 O O . ASP A 1 112 ? 28.092 13.594 33.655 1.00 50.67 ? ? ? ? ? ? 1967 ASP A O 1 +ATOM 911 C CB . ASP A 1 112 ? 26.623 15.528 35.618 1.00 50.79 ? ? ? ? ? ? 1967 ASP A CB 1 +ATOM 912 C CG . ASP A 1 112 ? 26.642 16.003 37.056 1.00 58.55 ? ? ? ? ? ? 1967 ASP A CG 1 +ATOM 913 O OD1 . ASP A 1 112 ? 27.745 16.187 37.615 1.00 55.68 ? ? ? ? ? ? 1967 ASP A OD1 1 +ATOM 914 O OD2 . ASP A 1 112 ? 25.548 16.185 37.626 1.00 54.57 ? ? ? ? ? ? 1967 ASP A OD2 1 +ATOM 915 N N . THR A 1 113 ? 27.772 15.514 32.541 1.00 44.16 ? ? ? ? ? ? 1968 THR A N 1 +ATOM 916 C CA . THR A 1 113 ? 27.627 14.831 31.264 1.00 42.40 ? ? ? ? ? ? 1968 THR A CA 1 +ATOM 917 C C . THR A 1 113 ? 28.976 14.606 30.593 1.00 43.79 ? ? ? ? ? ? 1968 THR A C 1 +ATOM 918 O O . THR A 1 113 ? 29.202 13.558 30.000 1.00 53.58 ? ? ? ? ? ? 1968 THR A O 1 +ATOM 919 C CB . THR A 1 113 ? 26.695 15.613 30.321 1.00 43.22 ? ? ? ? ? ? 1968 THR A CB 1 +ATOM 920 O OG1 . THR A 1 113 ? 25.412 15.759 30.945 1.00 39.24 ? ? ? ? ? ? 1968 THR A OG1 1 +ATOM 921 C CG2 . THR A 1 113 ? 26.532 14.884 28.984 1.00 39.18 ? ? ? ? ? ? 1968 THR A CG2 1 +ATOM 922 N N . PHE A 1 114 ? 29.887 15.566 30.708 1.00 54.37 ? ? ? ? ? ? 1969 PHE A N 1 +ATOM 923 C CA . PHE A 1 114 ? 31.148 15.467 29.980 1.00 58.67 ? ? ? ? ? ? 1969 PHE A CA 1 +ATOM 924 C C . PHE A 1 114 ? 32.385 15.400 30.880 1.00 71.55 ? ? ? ? ? ? 1969 PHE A C 1 +ATOM 925 O O . PHE A 1 114 ? 33.348 14.706 30.558 1.00 82.08 ? ? ? ? ? ? 1969 PHE A O 1 +ATOM 926 C CB . PHE A 1 114 ? 31.266 16.638 29.001 1.00 54.23 ? ? ? ? ? ? 1969 PHE A CB 1 +ATOM 927 C CG . PHE A 1 114 ? 30.148 16.694 27.995 1.00 45.53 ? ? ? ? ? ? 1969 PHE A CG 1 +ATOM 928 C CD1 . PHE A 1 114 ? 30.067 15.757 26.973 1.00 49.90 ? ? ? ? ? ? 1969 PHE A CD1 1 +ATOM 929 C CD2 . PHE A 1 114 ? 29.175 17.676 28.077 1.00 41.75 ? ? ? ? ? ? 1969 PHE A CD2 1 +ATOM 930 C CE1 . PHE A 1 114 ? 29.033 15.804 26.049 1.00 45.03 ? ? ? ? ? ? 1969 PHE A CE1 1 +ATOM 931 C CE2 . PHE A 1 114 ? 28.143 17.733 27.160 1.00 39.17 ? ? ? ? ? ? 1969 PHE A CE2 1 +ATOM 932 C CZ . PHE A 1 114 ? 28.068 16.800 26.145 1.00 40.53 ? ? ? ? ? ? 1969 PHE A CZ 1 +ATOM 933 N N . LYS A 1 115 ? 32.363 16.107 32.004 1.00 77.87 ? ? ? ? ? ? 1970 LYS A N 1 +ATOM 934 C CA . LYS A 1 115 ? 33.495 16.083 32.929 1.00 84.68 ? ? ? ? ? ? 1970 LYS A CA 1 +ATOM 935 C C . LYS A 1 115 ? 33.430 14.872 33.857 1.00 86.35 ? ? ? ? ? ? 1970 LYS A C 1 +ATOM 936 O O . LYS A 1 115 ? 33.662 13.738 33.432 1.00 87.69 ? ? ? ? ? ? 1970 LYS A O 1 +ATOM 937 C CB . LYS A 1 115 ? 33.549 17.374 33.750 1.00 80.81 ? ? ? ? ? ? 1970 LYS A CB 1 +HETATM 938 F F . ZYB B 2 . ? 13.101 41.429 28.043 1.00 57.66 ? ? ? ? ? ? 2971 ZYB A F 1 +HETATM 939 C C2 . ZYB B 2 . ? 12.706 41.725 29.252 1.00 56.97 ? ? ? ? ? ? 2971 ZYB A C2 1 +HETATM 940 C C1 . ZYB B 2 . ? 13.585 41.632 30.293 1.00 55.75 ? ? ? ? ? ? 2971 ZYB A C1 1 +HETATM 941 C C3 . ZYB B 2 . ? 11.420 42.125 29.483 1.00 52.80 ? ? ? ? ? ? 2971 ZYB A C3 1 +HETATM 942 C C4 . ZYB B 2 . ? 11.019 42.445 30.749 1.00 44.44 ? ? ? ? ? ? 2971 ZYB A C4 1 +HETATM 943 C C5 . ZYB B 2 . ? 11.884 42.352 31.805 1.00 44.59 ? ? ? ? ? ? 2971 ZYB A C5 1 +HETATM 944 C C . ZYB B 2 . ? 13.173 41.955 31.565 1.00 45.42 ? ? ? ? ? ? 2971 ZYB A C 1 +HETATM 945 C C6 . ZYB B 2 . ? 11.464 42.703 33.214 1.00 53.45 ? ? ? ? ? ? 2971 ZYB A C6 1 +HETATM 946 N N . ZYB B 2 . ? 12.323 43.272 34.165 1.00 56.95 ? ? ? ? ? ? 2971 ZYB A N 1 +HETATM 947 N N1 . ZYB B 2 . ? 10.288 42.524 33.655 1.00 62.80 ? ? ? ? ? ? 2971 ZYB A N1 1 +HETATM 948 O O . ZYB B 2 . ? 9.346 41.983 32.897 1.00 74.37 ? ? ? ? ? ? 2971 ZYB A O 1 +HETATM 949 H H1 . ZYB B 2 . ? 14.499 41.347 30.130 1.00 66.90 ? ? ? ? ? ? 2971 ZYB A H1 1 +HETATM 950 H H3 . ZYB B 2 . ? 10.792 42.194 28.744 1.00 63.37 ? ? ? ? ? ? 2971 ZYB A H3 1 +HETATM 951 H H . ZYB B 2 . ? 13.802 41.889 32.302 1.00 54.51 ? ? ? ? ? ? 2971 ZYB A H 1 +HETATM 952 H H4 . ZYB B 2 . ? 10.105 42.732 30.881 1.00 53.33 ? ? ? ? ? ? 2971 ZYB A H4 1 +HETATM 953 H HN1 . ZYB B 2 . ? 12.007 43.463 34.999 1.00 68.34 ? ? ? ? ? ? 2971 ZYB A HN1 1 +HETATM 954 H HN2 . ZYB B 2 . ? 13.192 43.451 33.952 1.00 68.34 ? ? ? ? ? ? 2971 ZYB A HN2 1 +HETATM 955 H HB . ZYB B 2 . ? 9.117 42.563 32.266 1.00 89.25 ? ? ? ? ? ? 2971 ZYB A HB 1 +HETATM 956 C C . MOH C 3 . ? 14.843 38.427 29.938 1.00 20.02 ? ? ? ? ? ? 2972 MOH A C 1 +HETATM 957 O O . MOH C 3 . ? 15.883 39.362 30.110 1.00 23.93 ? ? ? ? ? ? 2972 MOH A O 1 +HETATM 958 C C . MOH D 3 . ? 19.997 17.491 15.480 1.00 47.26 ? ? ? ? ? ? 2973 MOH A C 1 +HETATM 959 O O . MOH D 3 . ? 19.916 17.750 16.873 1.00 51.18 ? ? ? ? ? ? 2973 MOH A O 1 +HETATM 960 C C . MOH E 3 . ? 20.262 13.641 17.581 1.00 65.59 ? ? ? ? ? ? 2974 MOH A C 1 +HETATM 961 O O . MOH E 3 . ? 19.727 14.187 18.770 1.00 65.24 ? ? ? ? ? ? 2974 MOH A O 1 +HETATM 962 O O . HOH F 4 . ? 10.022 21.482 25.696 1.00 72.06 ? ? ? ? ? ? 2001 HOH A O 1 +HETATM 963 O O . HOH F 4 . ? 9.855 23.456 23.774 1.00 66.16 ? ? ? ? ? ? 2002 HOH A O 1 +HETATM 964 O O . HOH F 4 . ? 49.309 8.719 21.892 1.00 45.11 ? ? ? ? ? ? 2003 HOH A O 1 +HETATM 965 O O . HOH F 4 . ? 13.719 20.834 37.413 1.00 62.79 ? ? ? ? ? ? 2004 HOH A O 1 +HETATM 966 O O . HOH F 4 . ? 4.983 33.736 30.894 1.00 67.99 ? ? ? ? ? ? 2005 HOH A O 1 +HETATM 967 O O . HOH F 4 . ? 6.459 35.205 30.033 1.00 61.90 ? ? ? ? ? ? 2006 HOH A O 1 +HETATM 968 O O . HOH F 4 . ? 7.918 32.035 26.603 1.00 61.36 ? ? ? ? ? ? 2007 HOH A O 1 +HETATM 969 O O . HOH F 4 . ? 10.497 38.082 29.860 1.00 67.61 ? ? ? ? ? ? 2008 HOH A O 1 +HETATM 970 O O . HOH F 4 . ? 9.999 27.064 20.875 1.00 70.16 ? ? ? ? ? ? 2009 HOH A O 1 +HETATM 971 O O . HOH F 4 . ? 16.743 38.611 18.320 1.00 33.23 ? ? ? ? ? ? 2010 HOH A O 1 +HETATM 972 O O . HOH F 4 . ? 14.593 38.990 16.988 1.00 75.27 ? ? ? ? ? ? 2011 HOH A O 1 +HETATM 973 O O . HOH F 4 . ? 12.283 49.752 21.320 1.00 55.93 ? ? ? ? ? ? 2012 HOH A O 1 +HETATM 974 O O . HOH F 4 . ? 20.363 42.495 17.546 1.00 39.08 ? ? ? ? ? ? 2013 HOH A O 1 +HETATM 975 O O . HOH F 4 . ? 13.381 45.493 15.888 1.00 49.69 ? ? ? ? ? ? 2014 HOH A O 1 +HETATM 976 O O . HOH F 4 . ? 27.826 39.234 23.817 1.00 37.96 ? ? ? ? ? ? 2015 HOH A O 1 +HETATM 977 O O . HOH F 4 . ? 21.090 38.507 16.588 1.00 45.63 ? ? ? ? ? ? 2016 HOH A O 1 +HETATM 978 O O . HOH F 4 . ? 29.397 34.268 22.742 1.00 55.62 ? ? ? ? ? ? 2017 HOH A O 1 +HETATM 979 O O . HOH F 4 . ? 31.710 37.827 23.339 1.00 72.95 ? ? ? ? ? ? 2018 HOH A O 1 +HETATM 980 O O . HOH F 4 . ? 17.743 36.110 18.353 1.00 30.04 ? ? ? ? ? ? 2019 HOH A O 1 +HETATM 981 O O . HOH F 4 . ? 12.010 25.049 19.917 1.00 41.58 ? ? ? ? ? ? 2020 HOH A O 1 +HETATM 982 O O . HOH F 4 . ? 15.066 30.157 15.335 1.00 56.83 ? ? ? ? ? ? 2021 HOH A O 1 +HETATM 983 O O . HOH F 4 . ? 28.488 34.280 19.639 1.00 77.03 ? ? ? ? ? ? 2022 HOH A O 1 +HETATM 984 O O . HOH F 4 . ? 13.795 19.144 14.680 1.00 66.35 ? ? ? ? ? ? 2023 HOH A O 1 +HETATM 985 O O . HOH F 4 . ? 20.388 31.994 14.337 1.00 52.47 ? ? ? ? ? ? 2024 HOH A O 1 +HETATM 986 O O . HOH F 4 . ? 17.099 30.537 14.683 1.00 46.13 ? ? ? ? ? ? 2025 HOH A O 1 +HETATM 987 O O . HOH F 4 . ? 19.150 30.128 14.146 1.00 55.85 ? ? ? ? ? ? 2026 HOH A O 1 +HETATM 988 O O . HOH F 4 . ? 30.873 32.142 27.922 1.00 43.66 ? ? ? ? ? ? 2027 HOH A O 1 +HETATM 989 O O . HOH F 4 . ? 28.359 38.272 26.378 1.00 36.65 ? ? ? ? ? ? 2028 HOH A O 1 +HETATM 990 O O . HOH F 4 . ? 26.162 44.602 34.444 1.00 76.95 ? ? ? ? ? ? 2029 HOH A O 1 +HETATM 991 O O . HOH F 4 . ? 20.950 34.480 42.959 1.00 54.47 ? ? ? ? ? ? 2030 HOH A O 1 +HETATM 992 O O . HOH F 4 . ? 23.798 36.496 43.163 1.00 55.30 ? ? ? ? ? ? 2031 HOH A O 1 +HETATM 993 O O . HOH F 4 . ? 28.782 29.253 36.276 1.00 58.23 ? ? ? ? ? ? 2032 HOH A O 1 +HETATM 994 O O . HOH F 4 . ? 32.622 23.373 33.061 1.00 57.54 ? ? ? ? ? ? 2033 HOH A O 1 +HETATM 995 O O . HOH F 4 . ? 7.889 28.220 23.936 1.00 66.20 ? ? ? ? ? ? 2034 HOH A O 1 +HETATM 996 O O . HOH F 4 . ? 18.062 36.986 14.008 1.00 64.39 ? ? ? ? ? ? 2035 HOH A O 1 +HETATM 997 O O . HOH F 4 . ? 6.759 29.564 25.379 1.00 61.49 ? ? ? ? ? ? 2036 HOH A O 1 +HETATM 998 O O . HOH F 4 . ? 18.877 40.002 17.035 1.00 41.58 ? ? ? ? ? ? 2037 HOH A O 1 +HETATM 999 O O . HOH F 4 . ? 17.947 40.034 14.360 1.00 71.33 ? ? ? ? ? ? 2038 HOH A O 1 +HETATM 1000 O O . HOH F 4 . ? 49.700 17.754 20.028 1.00 33.75 ? ? ? ? ? ? 2039 HOH A O 1 +HETATM 1001 O O . HOH F 4 . ? 54.699 18.951 14.314 1.00 36.13 ? ? ? ? ? ? 2040 HOH A O 1 +HETATM 1002 O O . HOH F 4 . ? 48.417 16.913 11.414 1.00 44.68 ? ? ? ? ? ? 2041 HOH A O 1 +HETATM 1003 O O . HOH F 4 . ? 47.833 9.932 20.324 1.00 44.46 ? ? ? ? ? ? 2042 HOH A O 1 +HETATM 1004 O O . HOH F 4 . ? 47.016 20.600 15.420 1.00 56.49 ? ? ? ? ? ? 2043 HOH A O 1 +HETATM 1005 O O . HOH F 4 . ? 36.084 8.857 24.173 1.00 64.01 ? ? ? ? ? ? 2044 HOH A O 1 +HETATM 1006 O O . HOH F 4 . ? 30.306 11.616 22.382 1.00 41.64 ? ? ? ? ? ? 2045 HOH A O 1 +HETATM 1007 O O . HOH F 4 . ? 24.872 12.423 18.724 1.00 31.83 ? ? ? ? ? ? 2046 HOH A O 1 +HETATM 1008 O O . HOH F 4 . ? 32.113 18.160 20.044 1.00 43.06 ? ? ? ? ? ? 2047 HOH A O 1 +HETATM 1009 O O . HOH F 4 . ? 18.823 13.311 22.917 1.00 51.53 ? ? ? ? ? ? 2048 HOH A O 1 +HETATM 1010 O O . HOH F 4 . ? 16.161 15.671 23.834 1.00 53.90 ? ? ? ? ? ? 2049 HOH A O 1 +HETATM 1011 O O . HOH F 4 . ? 16.474 15.356 28.505 1.00 49.39 ? ? ? ? ? ? 2050 HOH A O 1 +HETATM 1012 O O . HOH F 4 . ? 19.716 11.870 25.898 1.00 55.67 ? ? ? ? ? ? 2051 HOH A O 1 +HETATM 1013 O O . HOH F 4 . ? 14.190 20.080 33.755 1.00 40.86 ? ? ? ? ? ? 2052 HOH A O 1 +HETATM 1014 O O . HOH F 4 . ? 16.006 16.626 33.801 1.00 63.70 ? ? ? ? ? ? 2053 HOH A O 1 +HETATM 1015 O O . HOH F 4 . ? 9.820 25.253 31.112 1.00 38.19 ? ? ? ? ? ? 2054 HOH A O 1 +HETATM 1016 O O . HOH F 4 . ? 9.286 23.840 26.837 1.00 71.54 ? ? ? ? ? ? 2055 HOH A O 1 +HETATM 1017 O O . HOH F 4 . ? 11.813 22.481 37.237 1.00 40.67 ? ? ? ? ? ? 2056 HOH A O 1 +HETATM 1018 O O . HOH F 4 . ? 8.637 27.688 31.635 1.00 50.11 ? ? ? ? ? ? 2057 HOH A O 1 +HETATM 1019 O O . HOH F 4 . ? 7.209 33.128 28.724 1.00 71.36 ? ? ? ? ? ? 2058 HOH A O 1 +HETATM 1020 O O . HOH F 4 . ? 10.592 33.431 26.632 1.00 31.26 ? ? ? ? ? ? 2059 HOH A O 1 +HETATM 1021 O O . HOH F 4 . ? 11.235 37.314 27.829 1.00 50.09 ? ? ? ? ? ? 2060 HOH A O 1 +HETATM 1022 O O . HOH F 4 . ? 14.805 35.285 26.097 1.00 28.85 ? ? ? ? ? ? 2061 HOH A O 1 +HETATM 1023 O O . HOH F 4 . ? 12.020 27.287 23.727 1.00 39.16 ? ? ? ? ? ? 2062 HOH A O 1 +HETATM 1024 O O . HOH F 4 . ? 10.652 36.085 25.723 1.00 45.42 ? ? ? ? ? ? 2063 HOH A O 1 +HETATM 1025 O O . HOH F 4 . ? 9.631 36.738 20.608 1.00 68.57 ? ? ? ? ? ? 2064 HOH A O 1 +HETATM 1026 O O . HOH F 4 . ? 15.877 39.137 20.800 1.00 31.10 ? ? ? ? ? ? 2065 HOH A O 1 +HETATM 1027 O O . HOH F 4 . ? 16.548 37.288 22.780 1.00 27.50 ? ? ? ? ? ? 2066 HOH A O 1 +HETATM 1028 O O . HOH F 4 . ? 9.739 39.897 24.415 1.00 38.01 ? ? ? ? ? ? 2067 HOH A O 1 +HETATM 1029 O O . HOH F 4 . ? 12.396 41.088 17.671 1.00 54.61 ? ? ? ? ? ? 2068 HOH A O 1 +HETATM 1030 O O . HOH F 4 . ? 14.917 46.883 22.021 1.00 34.11 ? ? ? ? ? ? 2069 HOH A O 1 +HETATM 1031 O O . HOH F 4 . ? 10.354 49.867 22.445 1.00 54.04 ? ? ? ? ? ? 2070 HOH A O 1 +HETATM 1032 O O . HOH F 4 . ? 17.013 49.205 22.232 1.00 35.94 ? ? ? ? ? ? 2071 HOH A O 1 +HETATM 1033 O O . HOH F 4 . ? 15.002 51.840 23.760 1.00 38.50 ? ? ? ? ? ? 2072 HOH A O 1 +HETATM 1034 O O . HOH F 4 . ? 18.929 37.372 24.878 1.00 26.24 ? ? ? ? ? ? 2073 HOH A O 1 +HETATM 1035 O O . HOH F 4 . ? 18.365 38.934 28.770 1.00 27.93 ? ? ? ? ? ? 2074 HOH A O 1 +HETATM 1036 O O . HOH F 4 . ? 20.711 43.703 19.713 1.00 38.04 ? ? ? ? ? ? 2075 HOH A O 1 +HETATM 1037 O O . HOH F 4 . ? 15.285 43.920 14.949 1.00 62.80 ? ? ? ? ? ? 2076 HOH A O 1 +HETATM 1038 O O . HOH F 4 . ? 24.523 55.530 19.752 1.00 41.19 ? ? ? ? ? ? 2077 HOH A O 1 +HETATM 1039 O O . HOH F 4 . ? 25.819 42.790 24.965 1.00 41.83 ? ? ? ? ? ? 2078 HOH A O 1 +HETATM 1040 O O . HOH F 4 . ? 25.262 40.180 24.148 1.00 32.73 ? ? ? ? ? ? 2079 HOH A O 1 +HETATM 1041 O O . HOH F 4 . ? 23.236 40.295 16.935 1.00 65.81 ? ? ? ? ? ? 2080 HOH A O 1 +HETATM 1042 O O . HOH F 4 . ? 23.693 44.108 18.054 1.00 51.91 ? ? ? ? ? ? 2081 HOH A O 1 +HETATM 1043 O O . HOH F 4 . ? 24.530 49.151 18.245 1.00 68.10 ? ? ? ? ? ? 2082 HOH A O 1 +HETATM 1044 O O . HOH F 4 . ? 29.757 36.549 22.673 1.00 59.13 ? ? ? ? ? ? 2083 HOH A O 1 +HETATM 1045 O O . HOH F 4 . ? 17.620 35.461 21.013 1.00 26.30 ? ? ? ? ? ? 2084 HOH A O 1 +HETATM 1046 O O . HOH F 4 . ? 20.282 36.066 18.152 1.00 47.27 ? ? ? ? ? ? 2085 HOH A O 1 +HETATM 1047 O O . HOH F 4 . ? 17.191 35.183 26.434 1.00 31.45 ? ? ? ? ? ? 2086 HOH A O 1 +HETATM 1048 O O . HOH F 4 . ? 13.631 26.057 18.018 1.00 31.32 ? ? ? ? ? ? 2087 HOH A O 1 +HETATM 1049 O O . HOH F 4 . ? 13.876 31.159 17.942 1.00 48.99 ? ? ? ? ? ? 2088 HOH A O 1 +HETATM 1050 O O . HOH F 4 . ? 16.769 34.148 16.880 1.00 37.84 ? ? ? ? ? ? 2089 HOH A O 1 +HETATM 1051 O O . HOH F 4 . ? 18.148 19.502 18.580 1.00 41.24 ? ? ? ? ? ? 2090 HOH A O 1 +HETATM 1052 O O . HOH F 4 . ? 13.480 17.462 21.017 1.00 63.97 ? ? ? ? ? ? 2091 HOH A O 1 +HETATM 1053 O O . HOH F 4 . ? 14.246 24.172 16.064 1.00 40.37 ? ? ? ? ? ? 2092 HOH A O 1 +HETATM 1054 O O . HOH F 4 . ? 13.807 24.254 10.402 1.00 53.41 ? ? ? ? ? ? 2093 HOH A O 1 +HETATM 1055 O O . HOH F 4 . ? 18.290 26.528 10.971 1.00 37.65 ? ? ? ? ? ? 2094 HOH A O 1 +HETATM 1056 O O . HOH F 4 . ? 23.456 32.819 16.199 1.00 41.64 ? ? ? ? ? ? 2095 HOH A O 1 +HETATM 1057 O O . HOH F 4 . ? 27.413 30.028 17.492 1.00 49.77 ? ? ? ? ? ? 2096 HOH A O 1 +HETATM 1058 O O . HOH F 4 . ? 26.076 32.886 18.780 1.00 39.46 ? ? ? ? ? ? 2097 HOH A O 1 +HETATM 1059 O O . HOH F 4 . ? 24.839 21.430 15.660 1.00 26.90 ? ? ? ? ? ? 2098 HOH A O 1 +HETATM 1060 O O . HOH F 4 . ? 17.451 17.851 12.901 1.00 47.85 ? ? ? ? ? ? 2099 HOH A O 1 +HETATM 1061 O O . HOH F 4 . ? 14.075 21.548 16.258 1.00 52.21 ? ? ? ? ? ? 2100 HOH A O 1 +HETATM 1062 O O . HOH F 4 . ? 28.093 28.077 16.234 1.00 53.38 ? ? ? ? ? ? 2101 HOH A O 1 +HETATM 1063 O O . HOH F 4 . ? 22.331 30.655 10.032 1.00 57.12 ? ? ? ? ? ? 2102 HOH A O 1 +HETATM 1064 O O . HOH F 4 . ? 22.795 31.536 13.460 1.00 58.79 ? ? ? ? ? ? 2103 HOH A O 1 +HETATM 1065 O O . HOH F 4 . ? 25.878 30.199 13.548 1.00 62.49 ? ? ? ? ? ? 2104 HOH A O 1 +HETATM 1066 O O . HOH F 4 . ? 18.842 29.119 12.218 1.00 43.86 ? ? ? ? ? ? 2105 HOH A O 1 +HETATM 1067 O O . HOH F 4 . ? 36.270 22.341 16.173 1.00 63.22 ? ? ? ? ? ? 2106 HOH A O 1 +HETATM 1068 O O . HOH F 4 . ? 35.040 21.758 21.898 1.00 58.36 ? ? ? ? ? ? 2107 HOH A O 1 +HETATM 1069 O O . HOH F 4 . ? 28.536 29.888 20.202 1.00 41.22 ? ? ? ? ? ? 2108 HOH A O 1 +HETATM 1070 O O . HOH F 4 . ? 29.358 32.925 25.925 1.00 31.19 ? ? ? ? ? ? 2109 HOH A O 1 +HETATM 1071 O O . HOH F 4 . ? 32.517 29.815 28.520 1.00 49.95 ? ? ? ? ? ? 2110 HOH A O 1 +HETATM 1072 O O . HOH F 4 . ? 18.672 36.149 28.506 1.00 26.69 ? ? ? ? ? ? 2111 HOH A O 1 +HETATM 1073 O O . HOH F 4 . ? 21.697 35.070 34.500 1.00 23.79 ? ? ? ? ? ? 2112 HOH A O 1 +HETATM 1074 O O . HOH F 4 . ? 27.482 39.559 32.373 1.00 56.82 ? ? ? ? ? ? 2113 HOH A O 1 +HETATM 1075 O O . HOH F 4 . ? 29.646 35.212 33.130 1.00 50.55 ? ? ? ? ? ? 2114 HOH A O 1 +HETATM 1076 O O . HOH F 4 . ? 28.416 35.532 26.914 1.00 38.68 ? ? ? ? ? ? 2115 HOH A O 1 +HETATM 1077 O O . HOH F 4 . ? 30.252 33.192 30.122 1.00 38.14 ? ? ? ? ? ? 2116 HOH A O 1 +HETATM 1078 O O . HOH F 4 . ? 26.307 39.198 27.582 1.00 37.97 ? ? ? ? ? ? 2117 HOH A O 1 +HETATM 1079 O O . HOH F 4 . ? 20.619 36.858 36.208 1.00 26.65 ? ? ? ? ? ? 2118 HOH A O 1 +HETATM 1080 O O . HOH F 4 . ? 23.667 34.037 36.165 1.00 31.26 ? ? ? ? ? ? 2119 HOH A O 1 +HETATM 1081 O O . HOH F 4 . ? 27.237 34.635 37.381 1.00 53.65 ? ? ? ? ? ? 2120 HOH A O 1 +HETATM 1082 O O . HOH F 4 . ? 26.758 41.946 35.152 1.00 68.46 ? ? ? ? ? ? 2121 HOH A O 1 +HETATM 1083 O O . HOH F 4 . ? 24.279 45.804 32.838 1.00 31.87 ? ? ? ? ? ? 2122 HOH A O 1 +HETATM 1084 O O . HOH F 4 . ? 21.112 39.380 37.230 1.00 27.53 ? ? ? ? ? ? 2123 HOH A O 1 +HETATM 1085 O O . HOH F 4 . ? 14.000 41.650 36.058 1.00 40.53 ? ? ? ? ? ? 2124 HOH A O 1 +HETATM 1086 O O . HOH F 4 . ? 16.010 44.370 36.642 1.00 31.64 ? ? ? ? ? ? 2125 HOH A O 1 +HETATM 1087 O O . HOH F 4 . ? 22.159 43.235 40.031 1.00 35.31 ? ? ? ? ? ? 2126 HOH A O 1 +HETATM 1088 O O . HOH F 4 . ? 19.831 43.489 42.462 1.00 29.68 ? ? ? ? ? ? 2127 HOH A O 1 +HETATM 1089 O O . HOH F 4 . ? 22.549 48.439 39.132 1.00 55.22 ? ? ? ? ? ? 2128 HOH A O 1 +HETATM 1090 O O . HOH F 4 . ? 13.893 48.371 41.323 1.00 71.57 ? ? ? ? ? ? 2129 HOH A O 1 +HETATM 1091 O O . HOH F 4 . ? 18.115 38.151 45.161 1.00 56.51 ? ? ? ? ? ? 2130 HOH A O 1 +HETATM 1092 O O . HOH F 4 . ? 19.704 36.599 42.356 1.00 48.79 ? ? ? ? ? ? 2131 HOH A O 1 +HETATM 1093 O O . HOH F 4 . ? 12.235 40.880 43.778 1.00 50.38 ? ? ? ? ? ? 2132 HOH A O 1 +HETATM 1094 O O . HOH F 4 . ? 14.322 39.623 47.341 1.00 56.25 ? ? ? ? ? ? 2133 HOH A O 1 +HETATM 1095 O O . HOH F 4 . ? 11.799 40.005 36.902 1.00 32.82 ? ? ? ? ? ? 2134 HOH A O 1 +HETATM 1096 O O . HOH F 4 . ? 10.801 40.634 39.586 1.00 45.53 ? ? ? ? ? ? 2135 HOH A O 1 +HETATM 1097 O O . HOH F 4 . ? 18.804 32.671 41.946 1.00 50.79 ? ? ? ? ? ? 2136 HOH A O 1 +HETATM 1098 O O . HOH F 4 . ? 23.623 34.350 42.820 1.00 62.35 ? ? ? ? ? ? 2137 HOH A O 1 +HETATM 1099 O O . HOH F 4 . ? 25.654 32.960 38.818 1.00 38.93 ? ? ? ? ? ? 2138 HOH A O 1 +HETATM 1100 O O . HOH F 4 . ? 24.552 30.490 39.019 1.00 37.91 ? ? ? ? ? ? 2139 HOH A O 1 +HETATM 1101 O O . HOH F 4 . ? 28.619 30.000 33.367 1.00 34.88 ? ? ? ? ? ? 2140 HOH A O 1 +HETATM 1102 O O . HOH F 4 . ? 30.386 31.617 32.147 1.00 45.65 ? ? ? ? ? ? 2141 HOH A O 1 +HETATM 1103 O O . HOH F 4 . ? 26.947 28.741 37.897 1.00 44.53 ? ? ? ? ? ? 2142 HOH A O 1 +HETATM 1104 O O . HOH F 4 . ? 21.982 20.442 37.227 1.00 34.13 ? ? ? ? ? ? 2143 HOH A O 1 +HETATM 1105 O O . HOH F 4 . ? 30.213 23.289 34.002 1.00 38.74 ? ? ? ? ? ? 2144 HOH A O 1 +HETATM 1106 O O . HOH F 4 . ? 32.249 27.856 33.935 1.00 59.39 ? ? ? ? ? ? 2145 HOH A O 1 +HETATM 1107 O O . HOH F 4 . ? 6.377 28.531 21.462 1.00 71.01 ? ? ? ? ? ? 2146 HOH A O 1 +# +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.U[1][1] +_atom_site_anisotrop.U[2][2] +_atom_site_anisotrop.U[3][3] +_atom_site_anisotrop.U[1][2] +_atom_site_anisotrop.U[1][3] +_atom_site_anisotrop.U[2][3] +_atom_site_anisotrop.U[1][1]_esd +_atom_site_anisotrop.U[2][2]_esd +_atom_site_anisotrop.U[3][3]_esd +_atom_site_anisotrop.U[1][2]_esd +_atom_site_anisotrop.U[1][3]_esd +_atom_site_anisotrop.U[2][3]_esd +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_atom_id +1 N N . SER A 1 0.4738 0.4524 0.2904 -0.0309 -0.0231 0.0036 ? ? ? ? ? ? 1856 SER A N +2 C CA . SER A 1 0.5262 0.4447 0.3239 -0.0195 -0.0197 0.0010 ? ? ? ? ? ? 1856 SER A CA +3 C C . SER A 1 0.5639 0.4532 0.3452 -0.0370 -0.0113 0.0088 ? ? ? ? ? ? 1856 SER A C +4 O O . SER A 1 0.5214 0.4379 0.3045 -0.0533 -0.0125 0.0141 ? ? ? ? ? ? 1856 SER A O +5 C CB . SER A 1 0.4971 0.3714 0.3023 -0.0165 -0.0119 0.0024 ? ? ? ? ? ? 1856 SER A CB +6 O OG . SER A 1 0.5159 0.3779 0.3411 -0.0339 0.0002 0.0133 ? ? ? ? ? ? 1856 SER A OG +7 N N . MET A 2 0.5837 0.4186 0.3455 -0.0378 -0.0030 0.0086 ? ? ? ? ? ? 1857 MET A N +8 C CA . MET A 2 0.6137 0.4220 0.3555 -0.0563 0.0075 0.0102 ? ? ? ? ? ? 1857 MET A CA +9 C C . MET A 2 0.5509 0.3572 0.3169 -0.0727 0.0190 0.0130 ? ? ? ? ? ? 1857 MET A C +10 O O . MET A 2 0.5733 0.3648 0.3670 -0.0718 0.0282 0.0138 ? ? ? ? ? ? 1857 MET A O +11 C CB . MET A 2 0.6333 0.3897 0.3494 -0.0611 0.0183 0.0080 ? ? ? ? ? ? 1857 MET A CB +12 C CG . MET A 2 0.6662 0.4019 0.3504 -0.0816 0.0276 0.0051 ? ? ? ? ? ? 1857 MET A CG +13 S SD . MET A 2 0.7242 0.4097 0.3748 -0.0992 0.0465 0.0007 ? ? ? ? ? ? 1857 MET A SD +14 C CE . MET A 2 0.6967 0.3644 0.3288 -0.0833 0.0238 0.0119 ? ? ? ? ? ? 1857 MET A CE +15 N N . SER A 3 0.5878 0.4076 0.3446 -0.0878 0.0151 0.0151 ? ? ? ? ? ? 1858 SER A N +16 C CA . SER A 3 0.5857 0.3954 0.3621 -0.1048 0.0183 0.0192 ? ? ? ? ? ? 1858 SER A CA +17 C C . SER A 3 0.5798 0.4172 0.3892 -0.1053 0.0073 0.0323 ? ? ? ? ? ? 1858 SER A C +18 O O . SER A 3 0.5438 0.3604 0.3770 -0.1155 0.0058 0.0394 ? ? ? ? ? ? 1858 SER A O +19 C CB . SER A 3 0.5979 0.3558 0.3839 -0.1078 0.0384 0.0078 ? ? ? ? ? ? 1858 SER A CB +20 O OG . SER A 3 0.6262 0.3621 0.3742 -0.1152 0.0497 -0.0044 ? ? ? ? ? ? 1858 SER A OG +21 N N . VAL A 4 0.4939 0.3776 0.3045 -0.0949 -0.0024 0.0344 ? ? ? ? ? ? 1859 VAL A N +22 C CA . VAL A 4 0.4767 0.3977 0.3092 -0.1020 -0.0135 0.0465 ? ? ? ? ? ? 1859 VAL A CA +23 C C . VAL A 4 0.5088 0.5015 0.3286 -0.1077 -0.0251 0.0451 ? ? ? ? ? ? 1859 VAL A C +24 O O . VAL A 4 0.5134 0.5399 0.3319 -0.0881 -0.0267 0.0318 ? ? ? ? ? ? 1859 VAL A O +25 C CB . VAL A 4 0.4800 0.3967 0.3327 -0.0859 -0.0107 0.0446 ? ? ? ? ? ? 1859 VAL A CB +26 C CG1 . VAL A 4 0.4519 0.4100 0.3216 -0.0993 -0.0239 0.0587 ? ? ? ? ? ? 1859 VAL A CG1 +27 C CG2 . VAL A 4 0.5126 0.3724 0.3835 -0.0805 0.0028 0.0427 ? ? ? ? ? ? 1859 VAL A CG2 +28 N N . LYS A 5 0.4184 0.6083 0.5828 -0.0988 -0.1528 0.2685 ? ? ? ? ? ? 1860 LYS A N +29 C CA . LYS A 5 0.4552 0.6496 0.6325 -0.0654 -0.1521 0.2879 ? ? ? ? ? ? 1860 LYS A CA +30 C C . LYS A 5 0.4328 0.6577 0.5968 -0.0092 -0.1309 0.2755 ? ? ? ? ? ? 1860 LYS A C +31 O O . LYS A 5 0.4454 0.6901 0.5816 0.0006 -0.1073 0.2704 ? ? ? ? ? ? 1860 LYS A O +32 C CB . LYS A 5 0.4611 0.6595 0.6439 -0.0955 -0.1461 0.3268 ? ? ? ? ? ? 1860 LYS A CB +33 C CG . LYS A 5 0.6581 0.8246 0.8468 -0.1371 -0.1692 0.3453 ? ? ? ? ? ? 1860 LYS A CG +34 C CD . LYS A 5 0.7149 0.8580 0.9223 -0.1116 -0.1903 0.3526 ? ? ? ? ? ? 1860 LYS A CD +35 C CE . LYS A 5 0.7720 0.8624 0.9706 -0.1413 -0.2066 0.3626 ? ? ? ? ? ? 1860 LYS A CE +36 N NZ . LYS A 5 0.8178 0.8686 1.0113 -0.1511 -0.2051 0.3295 ? ? ? ? ? ? 1860 LYS A NZ +37 N N . LYS A 6 0.4692 0.6928 0.6480 0.0313 -0.1362 0.2725 ? ? ? ? ? ? 1861 LYS A N +38 C CA . LYS A 6 0.6114 0.8554 0.7743 0.0867 -0.1112 0.2684 ? ? ? ? ? ? 1861 LYS A CA +39 C C . LYS A 6 0.5733 0.8254 0.7342 0.0749 -0.0786 0.2996 ? ? ? ? ? ? 1861 LYS A C +40 O O . LYS A 6 0.5994 0.8503 0.7837 0.0317 -0.0861 0.3218 ? ? ? ? ? ? 1861 LYS A O +41 C CB . LYS A 6 0.7434 0.9802 0.9261 0.1278 -0.1232 0.2597 ? ? ? ? ? ? 1861 LYS A CB +42 C CG . LYS A 6 0.7862 1.0176 0.9719 0.1455 -0.1467 0.2195 ? ? ? ? ? ? 1861 LYS A CG +43 C CD . LYS A 6 0.8266 1.0544 1.0221 0.1964 -0.1476 0.2103 ? ? ? ? ? ? 1861 LYS A CD +44 C CE . LYS A 6 0.8375 1.0530 1.0469 0.2029 -0.1703 0.1696 ? ? ? ? ? ? 1861 LYS A CE +45 N NZ . LYS A 6 0.8385 1.0090 1.0763 0.1584 -0.1875 0.1810 ? ? ? ? ? ? 1861 LYS A NZ +46 N N . PRO A 7 0.5816 0.8418 0.7121 0.1142 -0.0387 0.2989 ? ? ? ? ? ? 1862 PRO A N +47 C CA . PRO A 7 0.6381 0.9005 0.7711 0.1039 0.0042 0.3218 ? ? ? ? ? ? 1862 PRO A CA +48 C C . PRO A 7 0.6730 0.9453 0.8566 0.0916 -0.0078 0.3341 ? ? ? ? ? ? 1862 PRO A C +49 O O . PRO A 7 0.6273 0.8969 0.8289 0.1239 -0.0295 0.3269 ? ? ? ? ? ? 1862 PRO A O +50 C CB . PRO A 7 0.6742 0.9288 0.7631 0.1672 0.0488 0.3153 ? ? ? ? ? ? 1862 PRO A CB +51 C CG . PRO A 7 0.6893 0.9500 0.7394 0.1956 0.0316 0.2926 ? ? ? ? ? ? 1862 PRO A CG +52 C CD . PRO A 7 0.6081 0.8758 0.6951 0.1702 -0.0265 0.2749 ? ? ? ? ? ? 1862 PRO A CD +53 N N . LYS A 8 0.7059 0.9950 0.9129 0.0455 0.0055 0.3496 ? ? ? ? ? ? 1863 LYS A N +54 C CA . LYS A 8 0.7398 1.0556 0.9985 0.0313 -0.0125 0.3585 ? ? ? ? ? ? 1863 LYS A CA +55 C C . LYS A 8 0.7165 1.0435 0.9948 0.0696 0.0212 0.3536 ? ? ? ? ? ? 1863 LYS A C +56 O O . LYS A 8 0.7360 1.0631 1.0042 0.0701 0.0769 0.3512 ? ? ? ? ? ? 1863 LYS A O +57 C CB . LYS A 8 0.7246 1.0699 1.0032 -0.0290 -0.0092 0.3690 ? ? ? ? ? ? 1863 LYS A CB +58 N N . ARG A 9 0.6778 1.0076 0.9823 0.1019 -0.0072 0.3517 ? ? ? ? ? ? 1864 ARG A N +59 C CA . ARG A 9 0.6566 1.0008 0.9892 0.1352 0.0201 0.3470 ? ? ? ? ? ? 1864 ARG A CA +60 C C . ARG A 9 0.6321 1.0311 1.0213 0.0983 0.0267 0.3499 ? ? ? ? ? ? 1864 ARG A C +61 O O . ARG A 9 0.6122 1.0401 1.0269 0.0699 -0.0162 0.3588 ? ? ? ? ? ? 1864 ARG A O +62 C CB . ARG A 9 0.6292 0.9594 0.9727 0.1807 -0.0134 0.3432 ? ? ? ? ? ? 1864 ARG A CB +63 C CG . ARG A 9 0.5745 0.9213 0.9527 0.2143 0.0111 0.3389 ? ? ? ? ? ? 1864 ARG A CG +64 C CD . ARG A 9 0.5640 0.8839 0.9405 0.2369 -0.0241 0.3215 ? ? ? ? ? ? 1864 ARG A CD +65 N NE . ARG A 9 0.5445 0.8849 0.9583 0.2629 -0.0026 0.3175 ? ? ? ? ? ? 1864 ARG A NE +66 C CZ . ARG A 9 0.5468 0.9388 1.0212 0.2529 -0.0155 0.3255 ? ? ? ? ? ? 1864 ARG A CZ +67 N NH1 . ARG A 9 0.5996 1.0224 1.0932 0.2187 -0.0514 0.3384 ? ? ? ? ? ? 1864 ARG A NH1 +68 N NH2 . ARG A 9 0.5486 0.9622 1.0598 0.2776 0.0076 0.3169 ? ? ? ? ? ? 1864 ARG A NH2 +69 N N . ASP A 10 0.7256 0.8417 1.1362 0.2683 0.2421 0.2356 ? ? ? ? ? ? 1865 ASP A N +70 C CA . ASP A 10 0.7403 0.7329 1.0610 0.2483 0.2581 0.1826 ? ? ? ? ? ? 1865 ASP A CA +71 C C . ASP A 10 0.7015 0.6912 0.9233 0.1950 0.2095 0.1579 ? ? ? ? ? ? 1865 ASP A C +72 O O . ASP A 10 0.7150 0.7259 0.9290 0.1788 0.1645 0.1822 ? ? ? ? ? ? 1865 ASP A O +73 C CB . ASP A 10 0.8165 0.7280 1.1585 0.2739 0.2703 0.1987 ? ? ? ? ? ? 1865 ASP A CB +74 C CG . ASP A 10 0.9099 0.7057 1.1560 0.2439 0.2842 0.1412 ? ? ? ? ? ? 1865 ASP A CG +75 O OD1 . ASP A 10 0.8455 0.6158 1.0222 0.2174 0.2979 0.0871 ? ? ? ? ? ? 1865 ASP A OD1 +76 O OD2 . ASP A 10 0.9524 0.6845 1.1886 0.2439 0.2813 0.1501 ? ? ? ? ? ? 1865 ASP A OD2 +77 N N . ASP A 11 0.5749 0.5367 0.7198 0.1683 0.2192 0.1089 ? ? ? ? ? ? 1866 ASP A N +78 C CA . ASP A 11 0.5516 0.5121 0.6054 0.1256 0.1724 0.0859 ? ? ? ? ? ? 1866 ASP A CA +79 C C . ASP A 11 0.5709 0.4370 0.5379 0.1077 0.1738 0.0332 ? ? ? ? ? ? 1866 ASP A C +80 O O . ASP A 11 0.6087 0.4659 0.4959 0.0785 0.1386 0.0055 ? ? ? ? ? ? 1866 ASP A O +81 C CB . ASP A 11 0.5950 0.5917 0.6105 0.1051 0.1720 0.0736 ? ? ? ? ? ? 1866 ASP A CB +82 C CG . ASP A 11 0.7604 0.7038 0.7461 0.1085 0.2261 0.0337 ? ? ? ? ? ? 1866 ASP A CG +83 O OD1 . ASP A 11 0.8501 0.7459 0.8712 0.1342 0.2704 0.0215 ? ? ? ? ? ? 1866 ASP A OD1 +84 O OD2 . ASP A 11 0.8603 0.8046 0.7830 0.0829 0.2267 0.0138 ? ? ? ? ? ? 1866 ASP A OD2 +85 N N . SER A 12 0.6320 0.4296 0.6157 0.1257 0.2142 0.0188 ? ? ? ? ? ? 1867 SER A N +86 C CA . SER A 12 0.6814 0.3936 0.5843 0.1053 0.2269 -0.0379 ? ? ? ? ? ? 1867 SER A CA +87 C C . SER A 12 0.6849 0.3969 0.5396 0.0775 0.1768 -0.0499 ? ? ? ? ? ? 1867 SER A C +88 O O . SER A 12 0.7401 0.4117 0.5161 0.0534 0.1698 -0.1005 ? ? ? ? ? ? 1867 SER A O +89 C CB . SER A 12 0.7634 0.3993 0.6992 0.1274 0.2868 -0.0499 ? ? ? ? ? ? 1867 SER A CB +90 O OG . SER A 12 0.8212 0.4518 0.8132 0.1438 0.2792 -0.0100 ? ? ? ? ? ? 1867 SER A OG +91 N N . LYS A 13 0.6196 0.3847 0.5225 0.0791 0.1420 -0.0056 ? ? ? ? ? ? 1868 LYS A N +92 C CA . LYS A 13 0.5594 0.3358 0.4255 0.0498 0.0964 -0.0178 ? ? ? ? ? ? 1868 LYS A CA +93 C C . LYS A 13 0.5357 0.3838 0.3774 0.0305 0.0412 -0.0137 ? ? ? ? ? ? 1868 LYS A C +94 O O . LYS A 13 0.5501 0.4187 0.3667 0.0066 0.0025 -0.0278 ? ? ? ? ? ? 1868 LYS A O +95 C CB . LYS A 13 0.5625 0.3427 0.4848 0.0549 0.0937 0.0244 ? ? ? ? ? ? 1868 LYS A CB +96 C CG . LYS A 13 0.6511 0.3411 0.5886 0.0718 0.1468 0.0197 ? ? ? ? ? ? 1868 LYS A CG +97 C CD . LYS A 13 0.8535 0.5396 0.8356 0.0757 0.1386 0.0691 ? ? ? ? ? ? 1868 LYS A CD +98 N N . ASP A 14 0.5792 0.3303 0.4684 0.0423 -0.0386 -0.0023 ? ? ? ? ? ? 1869 ASP A N +99 C CA . ASP A 14 0.5678 0.3073 0.4127 0.0349 -0.0492 0.0045 ? ? ? ? ? ? 1869 ASP A CA +100 C C . ASP A 14 0.6101 0.3378 0.4371 0.0335 -0.0449 -0.0058 ? ? ? ? ? ? 1869 ASP A C +101 O O . ASP A 14 0.6273 0.3336 0.4261 0.0321 -0.0465 -0.0005 ? ? ? ? ? ? 1869 ASP A O +102 C CB . ASP A 14 0.5388 0.2972 0.3760 0.0245 -0.0586 0.0021 ? ? ? ? ? ? 1869 ASP A CB +103 C CG . ASP A 14 0.6681 0.4483 0.5179 0.0278 -0.0681 0.0065 ? ? ? ? ? ? 1869 ASP A CG +104 O OD1 . ASP A 14 0.6410 0.4160 0.4944 0.0440 -0.0684 0.0185 ? ? ? ? ? ? 1869 ASP A OD1 +105 O OD2 . ASP A 14 0.6181 0.4211 0.4730 0.0164 -0.0729 -0.0030 ? ? ? ? ? ? 1869 ASP A OD2 +106 N N . LEU A 15 0.5514 0.2997 0.3946 0.0377 -0.0407 -0.0232 ? ? ? ? ? ? 1870 LEU A N +107 C CA . LEU A 15 0.5578 0.3070 0.3816 0.0456 -0.0398 -0.0364 ? ? ? ? ? ? 1870 LEU A CA +108 C C . LEU A 15 0.5951 0.3328 0.4304 0.0472 -0.0318 -0.0464 ? ? ? ? ? ? 1870 LEU A C +109 O O . LEU A 15 0.6180 0.3389 0.4232 0.0491 -0.0348 -0.0454 ? ? ? ? ? ? 1870 LEU A O +110 C CB . LEU A 15 0.5520 0.3412 0.3925 0.0574 -0.0381 -0.0580 ? ? ? ? ? ? 1870 LEU A CB +111 C CG . LEU A 15 0.5274 0.3326 0.3440 0.0770 -0.0402 -0.0750 ? ? ? ? ? ? 1870 LEU A CG +112 C CD1 . LEU A 15 0.5653 0.3347 0.3204 0.0821 -0.0437 -0.0515 ? ? ? ? ? ? 1870 LEU A CD1 +113 C CD2 . LEU A 15 0.5195 0.3802 0.3546 0.0945 -0.0401 -0.1006 ? ? ? ? ? ? 1870 LEU A CD2 +114 N N . ALA A 16 0.5666 0.3090 0.4473 0.0454 -0.0173 -0.0565 ? ? ? ? ? ? 1871 ALA A N +115 C CA . ALA A 16 0.5937 0.3192 0.4919 0.0431 0.0005 -0.0671 ? ? ? ? ? ? 1871 ALA A CA +116 C C . ALA A 16 0.6230 0.3085 0.4819 0.0398 -0.0006 -0.0384 ? ? ? ? ? ? 1871 ALA A C +117 O O . ALA A 16 0.6187 0.2914 0.4668 0.0380 0.0061 -0.0458 ? ? ? ? ? ? 1871 ALA A O +118 C CB . ALA A 16 0.5909 0.3165 0.5484 0.0402 0.0262 -0.0798 ? ? ? ? ? ? 1871 ALA A CB +119 N N . LEU A 17 0.6095 0.2840 0.4489 0.0408 -0.0096 -0.0104 ? ? ? ? ? ? 1872 LEU A N +120 C CA . LEU A 17 0.6141 0.2645 0.4157 0.0425 -0.0130 0.0129 ? ? ? ? ? ? 1872 LEU A CA +121 C C . LEU A 17 0.6387 0.2879 0.4016 0.0364 -0.0290 0.0099 ? ? ? ? ? ? 1872 LEU A C +122 O O . LEU A 17 0.6820 0.3146 0.4212 0.0357 -0.0266 0.0142 ? ? ? ? ? ? 1872 LEU A O +123 C CB . LEU A 17 0.6376 0.2941 0.4317 0.0510 -0.0222 0.0350 ? ? ? ? ? ? 1872 LEU A CB +124 C CG . LEU A 17 0.6777 0.3222 0.5014 0.0641 -0.0023 0.0464 ? ? ? ? ? ? 1872 LEU A CG +125 C CD1 . LEU A 17 0.6695 0.3318 0.4852 0.0791 -0.0171 0.0641 ? ? ? ? ? ? 1872 LEU A CD1 +126 C CD2 . LEU A 17 0.7596 0.3640 0.5745 0.0715 0.0256 0.0601 ? ? ? ? ? ? 1872 LEU A CD2 +127 N N . CYS A 18 0.6335 0.2966 0.3896 0.0327 -0.0413 0.0031 ? ? ? ? ? ? 1873 CYS A N +128 C CA . CYS A 18 0.6385 0.2901 0.3607 0.0287 -0.0491 0.0007 ? ? ? ? ? ? 1873 CYS A CA +129 C C . CYS A 18 0.6661 0.3114 0.3836 0.0353 -0.0438 -0.0149 ? ? ? ? ? ? 1873 CYS A C +130 O O . CYS A 18 0.6390 0.2677 0.3309 0.0337 -0.0463 -0.0152 ? ? ? ? ? ? 1873 CYS A O +131 C CB . CYS A 18 0.6163 0.2733 0.3310 0.0261 -0.0529 0.0002 ? ? ? ? ? ? 1873 CYS A CB +132 S SG . CYS A 18 0.6459 0.3141 0.3649 0.0123 -0.0590 0.0080 ? ? ? ? ? ? 1873 CYS A SG +133 N N . SER A 19 0.4692 0.2749 0.4520 0.0232 -0.0131 -0.0129 ? ? ? ? ? ? 1874 SER A N +134 C CA . SER A 19 0.4433 0.2640 0.4204 0.0160 0.0026 -0.0235 ? ? ? ? ? ? 1874 SER A CA +135 C C . SER A 19 0.4728 0.2763 0.4291 0.0073 0.0096 -0.0021 ? ? ? ? ? ? 1874 SER A C +136 O O . SER A 19 0.4994 0.3140 0.4279 0.0031 0.0179 -0.0038 ? ? ? ? ? ? 1874 SER A O +137 C CB . SER A 19 0.4195 0.2523 0.4438 0.0114 0.0132 -0.0454 ? ? ? ? ? ? 1874 SER A CB +138 O OG . SER A 19 0.5132 0.3642 0.5358 0.0042 0.0279 -0.0576 ? ? ? ? ? ? 1874 SER A OG +139 N N . MET A 20 0.4965 0.2714 0.4660 0.0050 0.0070 0.0177 ? ? ? ? ? ? 1875 MET A N +140 C CA . MET A 20 0.5371 0.2878 0.4822 -0.0030 0.0140 0.0415 ? ? ? ? ? ? 1875 MET A CA +141 C C . MET A 20 0.5594 0.3103 0.4507 -0.0003 0.0056 0.0568 ? ? ? ? ? ? 1875 MET A C +142 O O . MET A 20 0.5613 0.3137 0.4244 -0.0089 0.0169 0.0608 ? ? ? ? ? ? 1875 MET A O +143 C CB . MET A 20 0.5730 0.2878 0.5358 -0.0011 0.0095 0.0633 ? ? ? ? ? ? 1875 MET A CB +144 C CG . MET A 20 0.7207 0.4031 0.6487 -0.0073 0.0151 0.0928 ? ? ? ? ? ? 1875 MET A CG +145 S SD . MET A 20 1.0298 0.6680 0.9644 0.0036 0.0012 0.1240 ? ? ? ? ? ? 1875 MET A SD +146 C CE . MET A 20 0.9212 0.5748 0.8259 0.0201 -0.0290 0.1319 ? ? ? ? ? ? 1875 MET A CE +147 N N . ILE A 21 0.5427 0.2937 0.4223 0.0106 -0.0132 0.0630 ? ? ? ? ? ? 1876 ILE A N +148 C CA . ILE A 21 0.5705 0.3237 0.4014 0.0129 -0.0217 0.0749 ? ? ? ? ? ? 1876 ILE A CA +149 C C . ILE A 21 0.6057 0.3842 0.4153 0.0099 -0.0116 0.0570 ? ? ? ? ? ? 1876 ILE A C +150 O O . ILE A 21 0.5472 0.3256 0.3194 0.0044 -0.0063 0.0655 ? ? ? ? ? ? 1876 ILE A O +151 C CB . ILE A 21 0.5472 0.3026 0.3767 0.0245 -0.0426 0.0774 ? ? ? ? ? ? 1876 ILE A CB +152 C CG1 . ILE A 21 0.5864 0.3165 0.4286 0.0304 -0.0556 0.0995 ? ? ? ? ? ? 1876 ILE A CG1 +153 C CG2 . ILE A 21 0.5611 0.3267 0.3433 0.0253 -0.0485 0.0811 ? ? ? ? ? ? 1876 ILE A CG2 +154 C CD1 . ILE A 21 0.6169 0.3542 0.4709 0.0427 -0.0766 0.0967 ? ? ? ? ? ? 1876 ILE A CD1 +155 N N . LEU A 22 0.5634 0.3626 0.3959 0.0142 -0.0085 0.0322 ? ? ? ? ? ? 1877 LEU A N +156 C CA . LEU A 22 0.5152 0.3367 0.3271 0.0153 -0.0002 0.0153 ? ? ? ? ? ? 1877 LEU A CA +157 C C . LEU A 22 0.4851 0.3129 0.2929 0.0055 0.0161 0.0133 ? ? ? ? ? ? 1877 LEU A C +158 O O . LEU A 22 0.5084 0.3455 0.2844 0.0040 0.0218 0.0122 ? ? ? ? ? ? 1877 LEU A O +159 C CB . LEU A 22 0.4378 0.2772 0.2735 0.0233 0.0001 -0.0096 ? ? ? ? ? ? 1877 LEU A CB +160 C CG . LEU A 22 0.4987 0.3588 0.3113 0.0293 0.0069 -0.0269 ? ? ? ? ? ? 1877 LEU A CG +161 C CD1 . LEU A 22 0.5316 0.3867 0.2995 0.0326 0.0031 -0.0185 ? ? ? ? ? ? 1877 LEU A CD1 +162 C CD2 . LEU A 22 0.4763 0.3487 0.3097 0.0379 0.0063 -0.0487 ? ? ? ? ? ? 1877 LEU A CD2 +163 N N . THR A 23 0.4987 0.2395 0.3943 -0.0643 0.0641 -0.0004 ? ? ? ? ? ? 1878 THR A N +164 C CA . THR A 23 0.5130 0.2464 0.4093 -0.0903 0.0735 -0.0121 ? ? ? ? ? ? 1878 THR A CA +165 C C . THR A 23 0.5878 0.3106 0.4792 -0.0858 0.0744 0.0106 ? ? ? ? ? ? 1878 THR A C +166 O O . THR A 23 0.5609 0.3074 0.4583 -0.1021 0.0705 0.0066 ? ? ? ? ? ? 1878 THR A O +167 C CB . THR A 23 0.6509 0.3353 0.5429 -0.1052 0.0979 -0.0297 ? ? ? ? ? ? 1878 THR A CB +168 O OG1 . THR A 23 0.6050 0.3057 0.5009 -0.1095 0.0946 -0.0550 ? ? ? ? ? ? 1878 THR A OG1 +169 C CG2 . THR A 23 0.6457 0.3212 0.5451 -0.1335 0.1108 -0.0417 ? ? ? ? ? ? 1878 THR A CG2 +170 N N . GLU A 24 0.5832 0.2725 0.4624 -0.0610 0.0787 0.0336 ? ? ? ? ? ? 1879 GLU A N +171 C CA . GLU A 24 0.6323 0.3103 0.5013 -0.0498 0.0787 0.0562 ? ? ? ? ? ? 1879 GLU A CA +172 C C . GLU A 24 0.5307 0.2659 0.4114 -0.0414 0.0512 0.0642 ? ? ? ? ? ? 1879 GLU A C +173 O O . GLU A 24 0.5199 0.2654 0.3975 -0.0452 0.0485 0.0721 ? ? ? ? ? ? 1879 GLU A O +174 C CB . GLU A 24 0.6036 0.2341 0.4541 -0.0195 0.0867 0.0765 ? ? ? ? ? ? 1879 GLU A CB +175 C CG . GLU A 24 0.7399 0.3054 0.5748 -0.0257 0.1156 0.0721 ? ? ? ? ? ? 1879 GLU A CG +176 C CD . GLU A 24 0.9405 0.4824 0.7625 0.0080 0.1157 0.0874 ? ? ? ? ? ? 1879 GLU A CD +177 O OE1 . GLU A 24 0.9598 0.5124 0.7875 0.0285 0.1035 0.0880 ? ? ? ? ? ? 1879 GLU A OE1 +178 O OE2 . GLU A 24 1.0959 0.6160 0.9048 0.0138 0.1270 0.0965 ? ? ? ? ? ? 1879 GLU A OE2 +179 N N A MET A 25 0.4896 0.2596 0.3842 -0.0295 0.0326 0.0624 ? ? ? ? ? ? 1880 MET A N +180 N N B MET A 25 0.4922 0.2635 0.3871 -0.0300 0.0322 0.0622 ? ? ? ? ? ? 1880 MET A N +181 C CA A MET A 25 0.5014 0.3253 0.4112 -0.0233 0.0067 0.0674 ? ? ? ? ? ? 1880 MET A CA +182 C CA B MET A 25 0.5072 0.3309 0.4163 -0.0235 0.0066 0.0682 ? ? ? ? ? ? 1880 MET A CA +183 C C A MET A 25 0.5271 0.3859 0.4424 -0.0500 0.0013 0.0514 ? ? ? ? ? ? 1880 MET A C +184 C C B MET A 25 0.5234 0.3847 0.4395 -0.0499 0.0002 0.0512 ? ? ? ? ? ? 1880 MET A C +185 O O A MET A 25 0.4920 0.3769 0.4102 -0.0510 -0.0112 0.0572 ? ? ? ? ? ? 1880 MET A O +186 O O B MET A 25 0.4908 0.3827 0.4114 -0.0507 -0.0144 0.0563 ? ? ? ? ? ? 1880 MET A O +187 C CB A MET A 25 0.4174 0.2671 0.3436 -0.0091 -0.0063 0.0669 ? ? ? ? ? ? 1880 MET A CB +188 C CB B MET A 25 0.4446 0.2934 0.3704 -0.0051 -0.0083 0.0712 ? ? ? ? ? ? 1880 MET A CB +189 C CG A MET A 25 0.5384 0.3600 0.4647 0.0177 -0.0023 0.0787 ? ? ? ? ? ? 1880 MET A CG +190 C CG B MET A 25 0.5571 0.3777 0.4816 0.0238 -0.0061 0.0856 ? ? ? ? ? ? 1880 MET A CG +191 S SD A MET A 25 0.4384 0.2633 0.3676 0.0476 -0.0187 0.1000 ? ? ? ? ? ? 1880 MET A SD +192 S SD B MET A 25 0.7091 0.5653 0.6630 0.0426 -0.0219 0.0873 ? ? ? ? ? ? 1880 MET A SD +193 C CE A MET A 25 0.5438 0.4337 0.5069 0.0512 -0.0466 0.0994 ? ? ? ? ? ? 1880 MET A CE +194 C CE B MET A 25 0.5847 0.4907 0.5578 0.0472 -0.0494 0.0952 ? ? ? ? ? ? 1880 MET A CE +195 N N . GLU A 26 0.4688 0.3289 0.3853 -0.0694 0.0098 0.0293 ? ? ? ? ? ? 1881 GLU A N +196 C CA . GLU A 26 0.4328 0.3275 0.3552 -0.0933 0.0039 0.0084 ? ? ? ? ? ? 1881 GLU A CA +197 C C . GLU A 26 0.5013 0.3887 0.4226 -0.1109 0.0135 0.0064 ? ? ? ? ? ? 1881 GLU A C +198 O O . GLU A 26 0.4657 0.3921 0.3945 -0.1232 0.0015 -0.0031 ? ? ? ? ? ? 1881 GLU A O +199 C CB . GLU A 26 0.4718 0.3617 0.3937 -0.1077 0.0134 -0.0180 ? ? ? ? ? ? 1881 GLU A CB +200 C CG . GLU A 26 0.4743 0.3864 0.3965 -0.0935 0.0023 -0.0201 ? ? ? ? ? ? 1881 GLU A CG +201 C CD . GLU A 26 0.5494 0.4448 0.4654 -0.1002 0.0150 -0.0430 ? ? ? ? ? ? 1881 GLU A CD +202 O OE1 . GLU A 26 0.5788 0.4376 0.4930 -0.1134 0.0333 -0.0546 ? ? ? ? ? ? 1881 GLU A OE1 +203 O OE2 . GLU A 26 0.6336 0.5510 0.5463 -0.0910 0.0076 -0.0490 ? ? ? ? ? ? 1881 GLU A OE2 +204 N N . THR A 27 0.2402 0.3235 0.4042 -0.0194 -0.0022 -0.0112 ? ? ? ? ? ? 1882 THR A N +205 C CA . THR A 27 0.3182 0.3588 0.4732 -0.0398 0.0500 -0.0119 ? ? ? ? ? ? 1882 THR A CA +206 C C . THR A 27 0.3855 0.3624 0.4554 -0.0377 0.0727 0.0009 ? ? ? ? ? ? 1882 THR A C +207 O O . THR A 27 0.4394 0.3924 0.4964 -0.0600 0.1185 -0.0031 ? ? ? ? ? ? 1882 THR A O +208 C CB . THR A 27 0.3803 0.3746 0.5246 -0.0550 0.0624 -0.0094 ? ? ? ? ? ? 1882 THR A CB +209 O OG1 . THR A 27 0.4878 0.4203 0.5607 -0.0382 0.0311 0.0041 ? ? ? ? ? ? 1882 THR A OG1 +210 C CG2 . THR A 27 0.3676 0.4327 0.6056 -0.0613 0.0499 -0.0273 ? ? ? ? ? ? 1882 THR A CG2 +211 N N . HIS A 28 0.3870 0.3427 0.3988 -0.0141 0.0416 0.0139 ? ? ? ? ? ? 1883 HIS A N +212 C CA . HIS A 28 0.4622 0.3668 0.3965 -0.0103 0.0588 0.0246 ? ? ? ? ? ? 1883 HIS A CA +213 C C . HIS A 28 0.4888 0.4423 0.4743 -0.0171 0.0865 0.0043 ? ? ? ? ? ? 1883 HIS A C +214 O O . HIS A 28 0.3572 0.3818 0.4250 -0.0094 0.0654 -0.0107 ? ? ? ? ? ? 1883 HIS A O +215 C CB . HIS A 28 0.4623 0.3528 0.3430 0.0190 0.0143 0.0388 ? ? ? ? ? ? 1883 HIS A CB +216 C CG . HIS A 28 0.5530 0.3756 0.3384 0.0239 0.0274 0.0542 ? ? ? ? ? ? 1883 HIS A CG +217 N ND1 . HIS A 28 0.5869 0.4207 0.3710 0.0187 0.0566 0.0450 ? ? ? ? ? ? 1883 HIS A ND1 +218 C CD2 . HIS A 28 0.5765 0.3224 0.2674 0.0340 0.0117 0.0754 ? ? ? ? ? ? 1883 HIS A CD2 +219 C CE1 . HIS A 28 0.6232 0.3919 0.3118 0.0226 0.0623 0.0614 ? ? ? ? ? ? 1883 HIS A CE1 +220 N NE2 . HIS A 28 0.7239 0.4349 0.3526 0.0314 0.0344 0.0824 ? ? ? ? ? ? 1883 HIS A NE2 +221 N N . GLU A 29 0.4781 0.3963 0.4174 -0.0336 0.1303 0.0009 ? ? ? ? ? ? 1884 GLU A N +222 C CA . GLU A 29 0.4619 0.4358 0.4632 -0.0404 0.1589 -0.0302 ? ? ? ? ? ? 1884 GLU A CA +223 C C . GLU A 29 0.4199 0.4289 0.4447 -0.0098 0.1221 -0.0376 ? ? ? ? ? ? 1884 GLU A C +224 O O . GLU A 29 0.4045 0.4713 0.5094 -0.0067 0.1245 -0.0677 ? ? ? ? ? ? 1884 GLU A O +225 C CB . GLU A 29 0.6711 0.6107 0.6143 -0.0708 0.2167 -0.0383 ? ? ? ? ? ? 1884 GLU A CB +226 C CG . GLU A 29 0.7593 0.6500 0.6061 -0.0636 0.2190 -0.0261 ? ? ? ? ? ? 1884 GLU A CG +227 C CD . GLU A 29 0.9640 0.8494 0.7713 -0.1009 0.2798 -0.0453 ? ? ? ? ? ? 1884 GLU A CD +228 O OE1 . GLU A 29 0.8792 0.8338 0.7551 -0.1012 0.3025 -0.0873 ? ? ? ? ? ? 1884 GLU A OE1 +229 O OE2 . GLU A 29 1.0775 0.8914 0.7858 -0.1326 0.3019 -0.0207 ? ? ? ? ? ? 1884 GLU A OE2 +230 N N . ASP A 30 0.4104 0.3844 0.3698 0.0125 0.0836 -0.0120 ? ? ? ? ? ? 1885 ASP A N +231 C CA . ASP A 30 0.4370 0.4388 0.4115 0.0387 0.0429 -0.0143 ? ? ? ? ? ? 1885 ASP A CA +232 C C . ASP A 30 0.4027 0.4518 0.4300 0.0494 -0.0144 -0.0062 ? ? ? ? ? ? 1885 ASP A C +233 O O . ASP A 30 0.3230 0.3838 0.3405 0.0670 -0.0590 0.0028 ? ? ? ? ? ? 1885 ASP A O +234 C CB . ASP A 30 0.4306 0.3711 0.2986 0.0543 0.0346 0.0074 ? ? ? ? ? ? 1885 ASP A CB +235 C CG . ASP A 30 0.5016 0.4015 0.3106 0.0388 0.0876 -0.0010 ? ? ? ? ? ? 1885 ASP A CG +236 O OD1 . ASP A 30 0.5150 0.4494 0.3749 0.0192 0.1290 -0.0315 ? ? ? ? ? ? 1885 ASP A OD1 +237 O OD2 . ASP A 30 0.5570 0.3944 0.2672 0.0440 0.0866 0.0212 ? ? ? ? ? ? 1885 ASP A OD2 +238 N N . ALA A 31 0.5429 0.3202 0.2619 0.0479 0.0596 0.0166 ? ? ? ? ? ? 1886 ALA A N +239 C CA . ALA A 31 0.5369 0.2954 0.2548 0.0415 0.0479 0.0104 ? ? ? ? ? ? 1886 ALA A CA +240 C C . ALA A 31 0.5010 0.2677 0.2430 0.0312 0.0353 0.0001 ? ? ? ? ? ? 1886 ALA A C +241 O O . ALA A 31 0.5622 0.3256 0.3069 0.0279 0.0240 -0.0042 ? ? ? ? ? ? 1886 ALA A O +242 C CB . ALA A 31 0.5662 0.2889 0.2730 0.0342 0.0536 0.0170 ? ? ? ? ? ? 1886 ALA A CB +243 N N . TRP A 32 0.5200 0.3015 0.2822 0.0284 0.0393 0.0001 ? ? ? ? ? ? 1887 TRP A N +244 C CA . TRP A 32 0.5482 0.3397 0.3399 0.0195 0.0311 -0.0021 ? ? ? ? ? ? 1887 TRP A CA +245 C C . TRP A 32 0.5598 0.3574 0.3622 0.0233 0.0199 -0.0117 ? ? ? ? ? ? 1887 TRP A C +246 O O . TRP A 32 0.5578 0.3604 0.3818 0.0146 0.0105 -0.0084 ? ? ? ? ? ? 1887 TRP A O +247 C CB . TRP A 32 0.5603 0.3720 0.3738 0.0225 0.0417 0.0033 ? ? ? ? ? ? 1887 TRP A CB +248 C CG . TRP A 32 0.5422 0.3659 0.3460 0.0399 0.0524 -0.0059 ? ? ? ? ? ? 1887 TRP A CG +249 C CD1 . TRP A 32 0.4903 0.3211 0.2727 0.0488 0.0644 -0.0026 ? ? ? ? ? ? 1887 TRP A CD1 +250 C CD2 . TRP A 32 0.5567 0.3858 0.3695 0.0493 0.0526 -0.0205 ? ? ? ? ? ? 1887 TRP A CD2 +251 N NE1 . TRP A 32 0.5152 0.3586 0.2874 0.0620 0.0707 -0.0167 ? ? ? ? ? ? 1887 TRP A NE1 +252 C CE2 . TRP A 32 0.5742 0.4112 0.3632 0.0621 0.0640 -0.0300 ? ? ? ? ? ? 1887 TRP A CE2 +253 C CE3 . TRP A 32 0.5374 0.3638 0.3755 0.0480 0.0448 -0.0259 ? ? ? ? ? ? 1887 TRP A CE3 +254 C CZ2 . TRP A 32 0.5794 0.4147 0.3637 0.0717 0.0679 -0.0500 ? ? ? ? ? ? 1887 TRP A CZ2 +255 C CZ3 . TRP A 32 0.5462 0.3684 0.3861 0.0592 0.0501 -0.0425 ? ? ? ? ? ? 1887 TRP A CZ3 +256 C CH2 . TRP A 32 0.5663 0.3894 0.3766 0.0701 0.0614 -0.0571 ? ? ? ? ? ? 1887 TRP A CH2 +257 N N . PRO A 33 0.4964 0.2964 0.2854 0.0340 0.0197 -0.0215 ? ? ? ? ? ? 1888 PRO A N +258 C CA . PRO A 33 0.4793 0.2814 0.2840 0.0334 0.0076 -0.0282 ? ? ? ? ? ? 1888 PRO A CA +259 C C . PRO A 33 0.4698 0.2681 0.2705 0.0281 -0.0046 -0.0213 ? ? ? ? ? ? 1888 PRO A C +260 O O . PRO A 33 0.4749 0.2791 0.2950 0.0260 -0.0154 -0.0212 ? ? ? ? ? ? 1888 PRO A O +261 C CB . PRO A 33 0.4932 0.2978 0.2801 0.0408 0.0082 -0.0412 ? ? ? ? ? ? 1888 PRO A CB +262 C CG . PRO A 33 0.5042 0.3148 0.2718 0.0477 0.0233 -0.0419 ? ? ? ? ? ? 1888 PRO A CG +263 C CD . PRO A 33 0.4659 0.2716 0.2299 0.0441 0.0282 -0.0257 ? ? ? ? ? ? 1888 PRO A CD +264 N N . PHE A 34 0.5008 0.2881 0.2774 0.0275 -0.0008 -0.0145 ? ? ? ? ? ? 1889 PHE A N +265 C CA . PHE A 34 0.4953 0.2777 0.2581 0.0288 -0.0071 -0.0086 ? ? ? ? ? ? 1889 PHE A CA +266 C C . PHE A 34 0.4966 0.2639 0.2509 0.0196 -0.0070 -0.0054 ? ? ? ? ? ? 1889 PHE A C +267 O O . PHE A 34 0.5209 0.2808 0.2579 0.0227 -0.0087 -0.0018 ? ? ? ? ? ? 1889 PHE A O +268 C CB . PHE A 34 0.5467 0.3266 0.2821 0.0406 0.0004 -0.0031 ? ? ? ? ? ? 1889 PHE A CB +269 C CG . PHE A 34 0.5233 0.3207 0.2584 0.0453 -0.0002 -0.0077 ? ? ? ? ? ? 1889 PHE A CG +270 C CD1 . PHE A 34 0.5053 0.3167 0.2541 0.0424 -0.0134 -0.0131 ? ? ? ? ? ? 1889 PHE A CD1 +271 C CD2 . PHE A 34 0.4986 0.2987 0.2189 0.0506 0.0120 -0.0067 ? ? ? ? ? ? 1889 PHE A CD2 +272 C CE1 . PHE A 34 0.4978 0.3212 0.2398 0.0423 -0.0155 -0.0222 ? ? ? ? ? ? 1889 PHE A CE1 +273 C CE2 . PHE A 34 0.5225 0.3422 0.2357 0.0531 0.0107 -0.0133 ? ? ? ? ? ? 1889 PHE A CE2 +274 C CZ . PHE A 34 0.5377 0.3668 0.2589 0.0477 -0.0037 -0.0234 ? ? ? ? ? ? 1889 PHE A CZ +275 N N . LEU A 35 0.5106 0.2744 0.2746 0.0076 -0.0047 -0.0061 ? ? ? ? ? ? 1890 LEU A N +276 C CA . LEU A 35 0.5668 0.3116 0.3150 -0.0067 -0.0053 -0.0059 ? ? ? ? ? ? 1890 LEU A CA +277 C C . LEU A 35 0.6253 0.3845 0.3814 -0.0165 -0.0192 -0.0045 ? ? ? ? ? ? 1890 LEU A C +278 O O . LEU A 35 0.5520 0.2934 0.2803 -0.0226 -0.0203 -0.0080 ? ? ? ? ? ? 1890 LEU A O +279 C CB . LEU A 35 0.5433 0.2871 0.3036 -0.0213 -0.0015 -0.0030 ? ? ? ? ? ? 1890 LEU A CB +280 C CG . LEU A 35 0.5914 0.3192 0.3395 -0.0139 0.0140 -0.0005 ? ? ? ? ? ? 1890 LEU A CG +281 C CD1 . LEU A 35 0.5980 0.3350 0.3669 -0.0283 0.0165 0.0073 ? ? ? ? ? ? 1890 LEU A CD1 +282 C CD2 . LEU A 35 0.7012 0.3891 0.4128 -0.0109 0.0232 -0.0021 ? ? ? ? ? ? 1890 LEU A CD2 +283 N N . LEU A 36 0.5053 0.2959 0.2984 -0.0166 -0.0283 0.0009 ? ? ? ? ? ? 1891 LEU A N +284 C CA . LEU A 36 0.5160 0.3313 0.3262 -0.0259 -0.0416 0.0085 ? ? ? ? ? ? 1891 LEU A CA +285 C C . LEU A 36 0.5357 0.3707 0.3704 -0.0133 -0.0477 0.0144 ? ? ? ? ? ? 1891 LEU A C +286 O O . LEU A 36 0.4790 0.3102 0.3240 -0.0021 -0.0433 0.0104 ? ? ? ? ? ? 1891 LEU A O +287 C CB . LEU A 36 0.5523 0.3927 0.3955 -0.0419 -0.0467 0.0180 ? ? ? ? ? ? 1891 LEU A CB +288 C CG . LEU A 36 0.5662 0.3936 0.3917 -0.0618 -0.0452 0.0161 ? ? ? ? ? ? 1891 LEU A CG +289 C CD1 . LEU A 36 0.5943 0.4596 0.4625 -0.0756 -0.0505 0.0328 ? ? ? ? ? ? 1891 LEU A CD1 +290 C CD2 . LEU A 36 0.6564 0.4658 0.4411 -0.0766 -0.0517 0.0082 ? ? ? ? ? ? 1891 LEU A CD2 +291 N N . PRO A 37 0.4743 0.3312 0.3174 -0.0168 -0.0584 0.0242 ? ? ? ? ? ? 1892 PRO A N +292 C CA . PRO A 37 0.4277 0.3040 0.3004 -0.0069 -0.0650 0.0338 ? ? ? ? ? ? 1892 PRO A CA +293 C C . PRO A 37 0.3838 0.2721 0.3049 -0.0062 -0.0651 0.0384 ? ? ? ? ? ? 1892 PRO A C +294 O O . PRO A 37 0.4330 0.3337 0.3745 -0.0141 -0.0637 0.0441 ? ? ? ? ? ? 1892 PRO A O +295 C CB . PRO A 37 0.4672 0.3713 0.3415 -0.0121 -0.0753 0.0476 ? ? ? ? ? ? 1892 PRO A CB +296 C CG . PRO A 37 0.4622 0.3670 0.3164 -0.0290 -0.0766 0.0441 ? ? ? ? ? ? 1892 PRO A CG +297 C CD . PRO A 37 0.4485 0.3141 0.2719 -0.0309 -0.0652 0.0271 ? ? ? ? ? ? 1892 PRO A CD +298 N N . VAL A 38 0.4942 0.2174 0.4040 -0.0429 -0.0705 -0.0274 ? ? ? ? ? ? 1893 VAL A N +299 C CA . VAL A 38 0.5101 0.2401 0.4522 -0.0415 -0.0589 -0.0233 ? ? ? ? ? ? 1893 VAL A CA +300 C C . VAL A 38 0.6208 0.3203 0.5418 -0.0191 -0.0972 -0.0229 ? ? ? ? ? ? 1893 VAL A C +301 O O . VAL A 38 0.6349 0.3025 0.4751 -0.0082 -0.1142 -0.0213 ? ? ? ? ? ? 1893 VAL A O +302 C CB . VAL A 38 0.5722 0.3104 0.4694 -0.0539 -0.0107 -0.0162 ? ? ? ? ? ? 1893 VAL A CB +303 C CG1 . VAL A 38 0.5924 0.3232 0.5140 -0.0520 0.0058 -0.0148 ? ? ? ? ? ? 1893 VAL A CG1 +304 C CG2 . VAL A 38 0.5375 0.3218 0.4626 -0.0733 0.0259 -0.0133 ? ? ? ? ? ? 1893 VAL A CG2 +305 N N . ASN A 39 0.5962 0.3081 0.5906 -0.0103 -0.1108 -0.0228 ? ? ? ? ? ? 1894 ASN A N +306 C CA . ASN A 39 0.7082 0.4000 0.6889 0.0171 -0.1454 -0.0153 ? ? ? ? ? ? 1894 ASN A CA +307 C C . ASN A 39 0.6909 0.3501 0.6187 0.0239 -0.1094 0.0009 ? ? ? ? ? ? 1894 ASN A C +308 O O . ASN A 39 0.6708 0.3376 0.6462 0.0168 -0.0721 0.0048 ? ? ? ? ? ? 1894 ASN A O +309 C CB . ASN A 39 0.6637 0.3873 0.7499 0.0268 -0.1699 -0.0190 ? ? ? ? ? ? 1894 ASN A CB +310 C CG . ASN A 39 0.7107 0.4265 0.7861 0.0614 -0.2133 -0.0075 ? ? ? ? ? ? 1894 ASN A CG +311 O OD1 . ASN A 39 0.7650 0.4428 0.7660 0.0796 -0.2058 0.0114 ? ? ? ? ? ? 1894 ASN A OD1 +312 N ND2 . ASN A 39 0.6513 0.4064 0.8020 0.0715 -0.2574 -0.0182 ? ? ? ? ? ? 1894 ASN A ND2 +313 N N . LEU A 40 0.7217 0.3417 0.5522 0.0360 -0.1167 0.0078 ? ? ? ? ? ? 1895 LEU A N +314 C CA . LEU A 40 0.7282 0.3101 0.4985 0.0379 -0.0740 0.0191 ? ? ? ? ? ? 1895 LEU A CA +315 C C . LEU A 40 0.7414 0.3010 0.5376 0.0647 -0.0710 0.0382 ? ? ? ? ? ? 1895 LEU A C +316 O O . LEU A 40 0.7475 0.2734 0.5160 0.0642 -0.0234 0.0464 ? ? ? ? ? ? 1895 LEU A O +317 C CB . LEU A 40 0.8050 0.3479 0.4644 0.0432 -0.0811 0.0203 ? ? ? ? ? ? 1895 LEU A CB +318 C CG . LEU A 40 0.8330 0.3932 0.4627 0.0206 -0.0785 0.0049 ? ? ? ? ? ? 1895 LEU A CG +319 C CD1 . LEU A 40 0.9397 0.4571 0.4622 0.0274 -0.0839 0.0056 ? ? ? ? ? ? 1895 LEU A CD1 +320 C CD2 . LEU A 40 0.7600 0.3540 0.4168 -0.0086 -0.0259 -0.0022 ? ? ? ? ? ? 1895 LEU A CD2 +321 N N . LYS A 41 0.8106 0.3912 0.6642 0.0883 -0.1186 0.0446 ? ? ? ? ? ? 1896 LYS A N +322 C CA . LYS A 41 0.9136 0.4811 0.8033 0.1201 -0.1185 0.0679 ? ? ? ? ? ? 1896 LYS A CA +323 C C . LYS A 41 0.8753 0.4727 0.8774 0.1078 -0.0881 0.0635 ? ? ? ? ? ? 1896 LYS A C +324 O O . LYS A 41 0.8602 0.4429 0.9022 0.1295 -0.0693 0.0825 ? ? ? ? ? ? 1896 LYS A O +325 C CB . LYS A 41 0.9521 0.5374 0.8438 0.1567 -0.1889 0.0790 ? ? ? ? ? ? 1896 LYS A CB +326 C CG . LYS A 41 1.0659 0.6232 0.8438 0.1684 -0.2207 0.0816 ? ? ? ? ? ? 1896 LYS A CG +327 C CD . LYS A 41 1.2516 0.8070 1.0034 0.2164 -0.2675 0.1087 ? ? ? ? ? ? 1896 LYS A CD +328 C CE . LYS A 41 1.3088 0.9363 1.1407 0.2276 -0.3328 0.0968 ? ? ? ? ? ? 1896 LYS A CE +329 N NZ . LYS A 41 1.3332 0.9864 1.1324 0.2074 -0.3768 0.0645 ? ? ? ? ? ? 1896 LYS A NZ +330 N N . LEU A 42 0.7870 0.4509 0.7273 0.0312 -0.1080 -0.0253 ? ? ? ? ? ? 1897 LEU A N +331 C CA . LEU A 42 0.8228 0.4968 0.8288 0.0409 -0.0926 -0.0355 ? ? ? ? ? ? 1897 LEU A CA +332 C C . LEU A 42 0.8150 0.4832 0.8113 0.0431 -0.0578 -0.0448 ? ? ? ? ? ? 1897 LEU A C +333 O O . LEU A 42 0.8639 0.5385 0.9069 0.0475 -0.0412 -0.0552 ? ? ? ? ? ? 1897 LEU A O +334 C CB . LEU A 42 0.7542 0.4467 0.7937 0.0369 -0.0892 -0.0497 ? ? ? ? ? ? 1897 LEU A CB +335 C CG . LEU A 42 0.8972 0.6045 0.9562 0.0315 -0.1249 -0.0450 ? ? ? ? ? ? 1897 LEU A CG +336 C CD1 . LEU A 42 0.9322 0.6597 1.0393 0.0270 -0.1166 -0.0629 ? ? ? ? ? ? 1897 LEU A CD1 +337 C CD2 . LEU A 42 0.9307 0.6422 1.0324 0.0407 -0.1561 -0.0264 ? ? ? ? ? ? 1897 LEU A CD2 +338 N N . VAL A 43 0.7164 0.3760 0.6545 0.0378 -0.0464 -0.0427 ? ? ? ? ? ? 1898 VAL A N +339 C CA . VAL A 43 0.6759 0.3364 0.5996 0.0366 -0.0184 -0.0490 ? ? ? ? ? ? 1898 VAL A CA +340 C C . VAL A 43 0.6844 0.3320 0.5787 0.0359 -0.0189 -0.0422 ? ? ? ? ? ? 1898 VAL A C +341 O O . VAL A 43 0.6706 0.3116 0.5195 0.0317 -0.0242 -0.0346 ? ? ? ? ? ? 1898 VAL A O +342 C CB . VAL A 43 0.6877 0.3532 0.5800 0.0319 -0.0038 -0.0500 ? ? ? ? ? ? 1898 VAL A CB +343 C CG1 . VAL A 43 0.6832 0.3562 0.5596 0.0283 0.0191 -0.0516 ? ? ? ? ? ? 1898 VAL A CG1 +344 C CG2 . VAL A 43 0.6423 0.3156 0.5644 0.0302 -0.0012 -0.0562 ? ? ? ? ? ? 1898 VAL A CG2 +345 N N . PRO A 44 0.6511 0.2951 0.5762 0.0382 -0.0101 -0.0481 ? ? ? ? ? ? 1899 PRO A N +346 C CA . PRO A 44 0.6676 0.2970 0.5720 0.0353 -0.0076 -0.0441 ? ? ? ? ? ? 1899 PRO A CA +347 C C . PRO A 44 0.7014 0.3382 0.5539 0.0266 0.0075 -0.0463 ? ? ? ? ? ? 1899 PRO A C +348 O O . PRO A 44 0.6574 0.3121 0.5029 0.0230 0.0232 -0.0539 ? ? ? ? ? ? 1899 PRO A O +349 C CB . PRO A 44 0.7434 0.3713 0.7005 0.0371 0.0094 -0.0600 ? ? ? ? ? ? 1899 PRO A CB +350 C CG . PRO A 44 0.7513 0.3891 0.7666 0.0450 0.0042 -0.0651 ? ? ? ? ? ? 1899 PRO A CG +351 C CD . PRO A 44 0.6642 0.3172 0.6518 0.0420 0.0012 -0.0625 ? ? ? ? ? ? 1899 PRO A CD +352 N N . GLY A 45 0.6092 0.2342 0.4281 0.0223 0.0015 -0.0373 ? ? ? ? ? ? 1900 GLY A N +353 C CA . GLY A 45 0.6028 0.2388 0.3828 0.0144 0.0140 -0.0395 ? ? ? ? ? ? 1900 GLY A CA +354 C C . GLY A 45 0.6235 0.2690 0.3750 0.0147 0.0107 -0.0339 ? ? ? ? ? ? 1900 GLY A C +355 O O . GLY A 45 0.6555 0.3054 0.3797 0.0093 0.0149 -0.0321 ? ? ? ? ? ? 1900 GLY A O +356 N N . TYR A 46 0.6042 0.2531 0.3687 0.0201 0.0058 -0.0337 ? ? ? ? ? ? 1901 TYR A N +357 C CA . TYR A 46 0.5828 0.2402 0.3329 0.0208 0.0096 -0.0327 ? ? ? ? ? ? 1901 TYR A CA +358 C C . TYR A 46 0.6679 0.3178 0.3875 0.0156 0.0049 -0.0316 ? ? ? ? ? ? 1901 TYR A C +359 O O . TYR A 46 0.5951 0.2549 0.3044 0.0146 0.0153 -0.0333 ? ? ? ? ? ? 1901 TYR A O +360 C CB . TYR A 46 0.6239 0.2817 0.3972 0.0249 0.0068 -0.0352 ? ? ? ? ? ? 1901 TYR A CB +361 C CG . TYR A 46 0.6372 0.3033 0.4118 0.0271 0.0180 -0.0335 ? ? ? ? ? ? 1901 TYR A CG +362 C CD1 . TYR A 46 0.5813 0.2418 0.3469 0.0266 0.0184 -0.0373 ? ? ? ? ? ? 1901 TYR A CD1 +363 C CD2 . TYR A 46 0.5632 0.2425 0.3495 0.0280 0.0293 -0.0275 ? ? ? ? ? ? 1901 TYR A CD2 +364 C CE1 . TYR A 46 0.5788 0.2437 0.3597 0.0312 0.0298 -0.0347 ? ? ? ? ? ? 1901 TYR A CE1 +365 C CE2 . TYR A 46 0.6115 0.2962 0.4050 0.0312 0.0364 -0.0186 ? ? ? ? ? ? 1901 TYR A CE2 +366 C CZ . TYR A 46 0.6346 0.3105 0.4313 0.0350 0.0366 -0.0218 ? ? ? ? ? ? 1901 TYR A CZ +367 O OH . TYR A 46 0.5736 0.2519 0.3909 0.0407 0.0444 -0.0117 ? ? ? ? ? ? 1901 TYR A OH +368 N N . LYS A 47 0.6918 0.3268 0.3987 0.0107 -0.0107 -0.0280 ? ? ? ? ? ? 1902 LYS A N +369 C CA . LYS A 47 0.7033 0.3323 0.3724 -0.0004 -0.0130 -0.0287 ? ? ? ? ? ? 1902 LYS A CA +370 C C . LYS A 47 0.6587 0.2887 0.3056 -0.0071 -0.0017 -0.0271 ? ? ? ? ? ? 1902 LYS A C +371 O O . LYS A 47 0.7321 0.3688 0.3603 -0.0139 0.0101 -0.0346 ? ? ? ? ? ? 1902 LYS A O +372 C CB . LYS A 47 0.7250 0.3406 0.3780 -0.0085 -0.0366 -0.0195 ? ? ? ? ? ? 1902 LYS A CB +373 C CG . LYS A 47 0.7732 0.3857 0.3771 -0.0266 -0.0375 -0.0231 ? ? ? ? ? ? 1902 LYS A CG +374 C CD . LYS A 47 0.8132 0.4170 0.3935 -0.0389 -0.0662 -0.0090 ? ? ? ? ? ? 1902 LYS A CD +375 C CE . LYS A 47 0.9365 0.5396 0.4558 -0.0639 -0.0637 -0.0146 ? ? ? ? ? ? 1902 LYS A CE +376 N NZ . LYS A 47 1.0326 0.6289 0.5181 -0.0802 -0.0963 0.0076 ? ? ? ? ? ? 1902 LYS A NZ +377 N N . LYS A 48 0.6491 0.2731 0.3038 -0.0066 -0.0025 -0.0205 ? ? ? ? ? ? 1903 LYS A N +378 C CA . LYS A 48 0.6562 0.2814 0.2935 -0.0157 0.0087 -0.0206 ? ? ? ? ? ? 1903 LYS A CA +379 C C . LYS A 48 0.6806 0.3332 0.3304 -0.0124 0.0250 -0.0299 ? ? ? ? ? ? 1903 LYS A C +380 O O . LYS A 48 0.6895 0.3536 0.3276 -0.0198 0.0355 -0.0338 ? ? ? ? ? ? 1903 LYS A O +381 C CB . LYS A 48 0.6675 0.2751 0.3163 -0.0176 0.0047 -0.0136 ? ? ? ? ? ? 1903 LYS A CB +382 C CG . LYS A 48 0.6908 0.2965 0.3235 -0.0304 0.0169 -0.0149 ? ? ? ? ? ? 1903 LYS A CG +383 C CD . LYS A 48 0.7722 0.3665 0.3637 -0.0450 0.0154 -0.0066 ? ? ? ? ? ? 1903 LYS A CD +384 C CE . LYS A 48 0.7570 0.3431 0.3358 -0.0604 0.0273 -0.0053 ? ? ? ? ? ? 1903 LYS A CE +385 N NZ . LYS A 48 0.7623 0.3145 0.3525 -0.0627 0.0181 0.0098 ? ? ? ? ? ? 1903 LYS A NZ +386 N N . VAL A 49 0.6071 0.2725 0.2823 -0.0027 0.0263 -0.0316 ? ? ? ? ? ? 1904 VAL A N +387 C CA . VAL A 49 0.6139 0.3080 0.2997 -0.0013 0.0358 -0.0334 ? ? ? ? ? ? 1904 VAL A CA +388 C C . VAL A 49 0.6367 0.3441 0.3324 0.0058 0.0394 -0.0319 ? ? ? ? ? ? 1904 VAL A C +389 O O . VAL A 49 0.6181 0.3471 0.3202 0.0048 0.0458 -0.0319 ? ? ? ? ? ? 1904 VAL A O +390 C CB . VAL A 49 0.5833 0.2866 0.2856 0.0009 0.0371 -0.0337 ? ? ? ? ? ? 1904 VAL A CB +391 C CG1 . VAL A 49 0.5827 0.3186 0.2901 0.0005 0.0414 -0.0284 ? ? ? ? ? ? 1904 VAL A CG1 +392 C CG2 . VAL A 49 0.5884 0.2817 0.2912 -0.0077 0.0405 -0.0419 ? ? ? ? ? ? 1904 VAL A CG2 +393 N N . ILE A 50 0.4941 0.2495 0.4330 -0.0620 0.0377 -0.0105 ? ? ? ? ? ? 1905 ILE A N +394 C CA . ILE A 50 0.5233 0.2878 0.4288 -0.0397 0.0202 -0.0219 ? ? ? ? ? ? 1905 ILE A CA +395 C C . ILE A 50 0.6079 0.3288 0.4510 -0.0237 0.0572 -0.0068 ? ? ? ? ? ? 1905 ILE A C +396 O O . ILE A 50 0.6180 0.2819 0.3724 -0.0104 0.0506 0.0152 ? ? ? ? ? ? 1905 ILE A O +397 C CB . ILE A 50 0.5374 0.2784 0.3829 -0.0299 -0.0330 -0.0197 ? ? ? ? ? ? 1905 ILE A CB +398 C CG1 . ILE A 50 0.5576 0.3358 0.4604 -0.0433 -0.0664 -0.0325 ? ? ? ? ? ? 1905 ILE A CG1 +399 C CG2 . ILE A 50 0.4791 0.2158 0.2834 -0.0058 -0.0413 -0.0304 ? ? ? ? ? ? 1905 ILE A CG2 +400 C CD1 . ILE A 50 0.4390 0.2914 0.4247 -0.0372 -0.0651 -0.0614 ? ? ? ? ? ? 1905 ILE A CD1 +401 N N . LYS A 51 0.5238 0.2778 0.4156 -0.0226 0.0954 -0.0232 ? ? ? ? ? ? 1906 LYS A N +402 C CA . LYS A 51 0.6171 0.3291 0.4608 -0.0105 0.1416 -0.0086 ? ? ? ? ? ? 1906 LYS A CA +403 C C . LYS A 51 0.7278 0.4092 0.4817 0.0168 0.1177 -0.0013 ? ? ? ? ? ? 1906 LYS A C +404 O O . LYS A 51 0.6980 0.3273 0.3786 0.0325 0.1413 0.0192 ? ? ? ? ? ? 1906 LYS A O +405 C CB . LYS A 51 0.6524 0.4157 0.5855 -0.0205 0.1915 -0.0364 ? ? ? ? ? ? 1906 LYS A CB +406 C CG . LYS A 51 0.7122 0.5083 0.7466 -0.0522 0.2272 -0.0529 ? ? ? ? ? ? 1906 LYS A CG +407 C CD . LYS A 51 0.8099 0.5256 0.7937 -0.0600 0.2585 -0.0147 ? ? ? ? ? ? 1906 LYS A CD +408 C CE . LYS A 51 0.8195 0.5591 0.9067 -0.0943 0.3051 -0.0324 ? ? ? ? ? ? 1906 LYS A CE +409 N NZ . LYS A 51 0.9728 0.6195 1.0008 -0.0948 0.3537 0.0080 ? ? ? ? ? ? 1906 LYS A NZ +410 N N . LYS A 52 0.5879 0.2982 0.3450 0.0253 0.0754 -0.0191 ? ? ? ? ? ? 1907 LYS A N +411 C CA . LYS A 52 0.6989 0.3774 0.3772 0.0480 0.0573 -0.0172 ? ? ? ? ? ? 1907 LYS A CA +412 C C . LYS A 52 0.6391 0.3058 0.2900 0.0484 0.0091 -0.0231 ? ? ? ? ? ? 1907 LYS A C +413 O O . LYS A 52 0.6176 0.3087 0.2900 0.0571 -0.0078 -0.0395 ? ? ? ? ? ? 1907 LYS A O +414 C CB . LYS A 52 0.7118 0.4252 0.4130 0.0647 0.0722 -0.0359 ? ? ? ? ? ? 1907 LYS A CB +415 C CG . LYS A 52 0.8474 0.5770 0.5846 0.0623 0.1248 -0.0384 ? ? ? ? ? ? 1907 LYS A CG +416 C CD . LYS A 52 0.9725 0.7418 0.7268 0.0833 0.1319 -0.0612 ? ? ? ? ? ? 1907 LYS A CD +417 C CE . LYS A 52 1.0273 0.8250 0.8360 0.0769 0.1867 -0.0737 ? ? ? ? ? ? 1907 LYS A CE +418 N NZ . LYS A 52 1.0514 0.8989 0.8805 0.1009 0.1886 -0.1013 ? ? ? ? ? ? 1907 LYS A NZ +419 N N . PRO A 53 0.6932 0.3217 0.2950 0.0424 -0.0097 -0.0120 ? ? ? ? ? ? 1908 PRO A N +420 C CA . PRO A 53 0.7254 0.3382 0.3023 0.0385 -0.0490 -0.0236 ? ? ? ? ? ? 1908 PRO A CA +421 C C . PRO A 53 0.6770 0.2942 0.2517 0.0520 -0.0476 -0.0281 ? ? ? ? ? ? 1908 PRO A C +422 O O . PRO A 53 0.6607 0.2598 0.1947 0.0657 -0.0305 -0.0268 ? ? ? ? ? ? 1908 PRO A O +423 C CB . PRO A 53 0.6863 0.2893 0.2512 0.0342 -0.0567 -0.0117 ? ? ? ? ? ? 1908 PRO A CB +424 C CG . PRO A 53 0.7441 0.3295 0.2874 0.0351 -0.0296 0.0079 ? ? ? ? ? ? 1908 PRO A CG +425 C CD . PRO A 53 0.7881 0.3860 0.3528 0.0432 0.0085 0.0092 ? ? ? ? ? ? 1908 PRO A CD +426 N N . MET A 54 0.6788 0.1783 0.3262 -0.0349 0.0269 0.0263 ? ? ? ? ? ? 1909 MET A N +427 C CA . MET A 54 0.6402 0.2193 0.3265 -0.0283 0.0067 0.0252 ? ? ? ? ? ? 1909 MET A CA +428 C C . MET A 54 0.6941 0.2935 0.3841 -0.0051 -0.0057 0.0194 ? ? ? ? ? ? 1909 MET A C +429 O O . MET A 54 0.6652 0.2273 0.3323 -0.0035 -0.0021 0.0097 ? ? ? ? ? ? 1909 MET A O +430 C CB . MET A 54 0.5640 0.1894 0.2901 -0.0623 -0.0022 0.0126 ? ? ? ? ? ? 1909 MET A CB +431 C CG . MET A 54 0.5663 0.2609 0.3274 -0.0513 -0.0153 0.0136 ? ? ? ? ? ? 1909 MET A CG +432 S SD . MET A 54 0.5831 0.2862 0.3319 -0.0286 -0.0069 0.0294 ? ? ? ? ? ? 1909 MET A SD +433 C CE . MET A 54 0.6009 0.2745 0.3392 -0.0503 0.0200 0.0413 ? ? ? ? ? ? 1909 MET A CE +434 N N . ASP A 55 0.5662 0.2199 0.2815 0.0114 -0.0168 0.0244 ? ? ? ? ? ? 1910 ASP A N +435 C CA . ASP A 55 0.5309 0.2124 0.2611 0.0291 -0.0233 0.0222 ? ? ? ? ? ? 1910 ASP A CA +436 C C . ASP A 55 0.5085 0.2463 0.2753 0.0239 -0.0353 0.0193 ? ? ? ? ? ? 1910 ASP A C +437 O O . ASP A 55 0.5231 0.2743 0.2951 0.0155 -0.0381 0.0194 ? ? ? ? ? ? 1910 ASP A O +438 C CB . ASP A 55 0.5837 0.2584 0.3028 0.0628 -0.0171 0.0355 ? ? ? ? ? ? 1910 ASP A CB +439 C CG . ASP A 55 0.6507 0.3621 0.3787 0.0756 -0.0271 0.0464 ? ? ? ? ? ? 1910 ASP A CG +440 O OD1 . ASP A 55 0.6092 0.2904 0.3076 0.0765 -0.0212 0.0558 ? ? ? ? ? ? 1910 ASP A OD1 +441 O OD2 . ASP A 55 0.5599 0.3291 0.3216 0.0817 -0.0404 0.0444 ? ? ? ? ? ? 1910 ASP A OD2 +442 N N . PHE A 56 0.4664 0.2287 0.2538 0.0294 -0.0371 0.0170 ? ? ? ? ? ? 1911 PHE A N +443 C CA . PHE A 56 0.4768 0.2738 0.2943 0.0209 -0.0427 0.0130 ? ? ? ? ? ? 1911 PHE A CA +444 C C . PHE A 56 0.4579 0.2806 0.2870 0.0218 -0.0513 0.0112 ? ? ? ? ? ? 1911 PHE A C +445 O O . PHE A 56 0.4288 0.2582 0.2639 0.0108 -0.0542 0.0034 ? ? ? ? ? ? 1911 PHE A O +446 C CB . PHE A 56 0.4637 0.2736 0.2991 0.0253 -0.0355 0.0149 ? ? ? ? ? ? 1911 PHE A CB +447 C CG . PHE A 56 0.5287 0.3153 0.3407 0.0264 -0.0295 0.0151 ? ? ? ? ? ? 1911 PHE A CG +448 C CD1 . PHE A 56 0.4840 0.2535 0.2741 0.0168 -0.0373 0.0093 ? ? ? ? ? ? 1911 PHE A CD1 +449 C CD2 . PHE A 56 0.4854 0.2729 0.2974 0.0359 -0.0163 0.0209 ? ? ? ? ? ? 1911 PHE A CD2 +450 C CE1 . PHE A 56 0.5018 0.2587 0.2656 0.0169 -0.0395 0.0057 ? ? ? ? ? ? 1911 PHE A CE1 +451 C CE2 . PHE A 56 0.5176 0.2826 0.2935 0.0407 -0.0129 0.0207 ? ? ? ? ? ? 1911 PHE A CE2 +452 C CZ . PHE A 56 0.5508 0.3021 0.3003 0.0313 -0.0284 0.0113 ? ? ? ? ? ? 1911 PHE A CZ +453 N N . SER A 57 0.4467 0.2843 0.2749 0.0380 -0.0561 0.0175 ? ? ? ? ? ? 1912 SER A N +454 C CA . SER A 57 0.5260 0.3987 0.3608 0.0393 -0.0719 0.0131 ? ? ? ? ? ? 1912 SER A CA +455 C C . SER A 57 0.5609 0.4103 0.3569 0.0381 -0.0730 0.0130 ? ? ? ? ? ? 1912 SER A C +456 O O . SER A 57 0.4827 0.3472 0.2718 0.0311 -0.0831 0.0014 ? ? ? ? ? ? 1912 SER A O +457 C CB . SER A 57 0.5103 0.4187 0.3554 0.0643 -0.0804 0.0240 ? ? ? ? ? ? 1912 SER A CB +458 O OG . SER A 57 0.5952 0.4688 0.3972 0.0892 -0.0748 0.0406 ? ? ? ? ? ? 1912 SER A OG +459 N N . THR A 58 0.5369 0.3454 0.3051 0.0425 -0.0594 0.0243 ? ? ? ? ? ? 1913 THR A N +460 C CA . THR A 58 0.5605 0.3464 0.2963 0.0393 -0.0513 0.0285 ? ? ? ? ? ? 1913 THR A CA +461 C C . THR A 58 0.5263 0.3176 0.2791 0.0193 -0.0453 0.0164 ? ? ? ? ? ? 1913 THR A C +462 O O . THR A 58 0.5915 0.3852 0.3275 0.0189 -0.0419 0.0122 ? ? ? ? ? ? 1913 THR A O +463 C CB . THR A 58 0.5669 0.3029 0.2749 0.0423 -0.0330 0.0443 ? ? ? ? ? ? 1913 THR A CB +464 O OG1 . THR A 58 0.5684 0.2917 0.2538 0.0712 -0.0345 0.0593 ? ? ? ? ? ? 1913 THR A OG1 +465 C CG2 . THR A 58 0.5953 0.3099 0.2755 0.0353 -0.0167 0.0525 ? ? ? ? ? ? 1913 THR A CG2 +466 N N . ILE A 59 0.4623 0.2553 0.2430 0.0084 -0.0430 0.0122 ? ? ? ? ? ? 1914 ILE A N +467 C CA . ILE A 59 0.4660 0.2702 0.2661 -0.0010 -0.0380 0.0054 ? ? ? ? ? ? 1914 ILE A CA +468 C C . ILE A 59 0.5118 0.3249 0.3142 0.0011 -0.0420 -0.0067 ? ? ? ? ? ? 1914 ILE A C +469 O O . ILE A 59 0.5119 0.3217 0.3080 0.0018 -0.0328 -0.0122 ? ? ? ? ? ? 1914 ILE A O +470 C CB . ILE A 59 0.4598 0.2687 0.2813 -0.0060 -0.0399 0.0055 ? ? ? ? ? ? 1914 ILE A CB +471 C CG1 . ILE A 59 0.4667 0.2629 0.2816 -0.0165 -0.0378 0.0090 ? ? ? ? ? ? 1914 ILE A CG1 +472 C CG2 . ILE A 59 0.3829 0.2078 0.2243 -0.0046 -0.0359 0.0035 ? ? ? ? ? ? 1914 ILE A CG2 +473 C CD1 . ILE A 59 0.4373 0.2369 0.2574 -0.0205 -0.0456 0.0052 ? ? ? ? ? ? 1914 ILE A CD1 +474 N N . ARG A 60 0.4991 0.3222 0.3113 0.0007 -0.0533 -0.0122 ? ? ? ? ? ? 1915 ARG A N +475 C CA . ARG A 60 0.5024 0.3297 0.3203 -0.0075 -0.0583 -0.0290 ? ? ? ? ? ? 1915 ARG A CA +476 C C . ARG A 60 0.5748 0.4014 0.3559 -0.0050 -0.0656 -0.0400 ? ? ? ? ? ? 1915 ARG A C +477 O O . ARG A 60 0.5393 0.3486 0.3053 -0.0110 -0.0611 -0.0573 ? ? ? ? ? ? 1915 ARG A O +478 C CB . ARG A 60 0.4626 0.3145 0.3111 -0.0143 -0.0680 -0.0316 ? ? ? ? ? ? 1915 ARG A CB +479 C CG . ARG A 60 0.4714 0.3342 0.3307 -0.0331 -0.0779 -0.0537 ? ? ? ? ? ? 1915 ARG A CG +480 C CD . ARG A 60 0.5246 0.3473 0.3874 -0.0457 -0.0601 -0.0633 ? ? ? ? ? ? 1915 ARG A CD +481 N NE . ARG A 60 0.5476 0.3633 0.4408 -0.0478 -0.0445 -0.0494 ? ? ? ? ? ? 1915 ARG A NE +482 C CZ . ARG A 60 0.6266 0.4007 0.5192 -0.0500 -0.0241 -0.0476 ? ? ? ? ? ? 1915 ARG A CZ +483 N NH1 . ARG A 60 0.5839 0.3193 0.4518 -0.0495 -0.0158 -0.0607 ? ? ? ? ? ? 1915 ARG A NH1 +484 N NH2 . ARG A 60 0.5880 0.3542 0.4977 -0.0475 -0.0086 -0.0306 ? ? ? ? ? ? 1915 ARG A NH2 +485 N N . GLU A 61 0.5132 0.3504 0.2703 0.0075 -0.0742 -0.0293 ? ? ? ? ? ? 1916 GLU A N +486 C CA . GLU A 61 0.5432 0.3798 0.2513 0.0156 -0.0820 -0.0362 ? ? ? ? ? ? 1916 GLU A CA +487 C C . GLU A 61 0.5402 0.3460 0.2179 0.0191 -0.0573 -0.0345 ? ? ? ? ? ? 1916 GLU A C +488 O O . GLU A 61 0.5927 0.3860 0.2315 0.0207 -0.0556 -0.0512 ? ? ? ? ? ? 1916 GLU A O +489 C CB . GLU A 61 0.5218 0.3720 0.2045 0.0369 -0.0933 -0.0171 ? ? ? ? ? ? 1916 GLU A CB +490 C CG . GLU A 61 0.6569 0.5061 0.2740 0.0520 -0.1024 -0.0193 ? ? ? ? ? ? 1916 GLU A CG +491 C CD . GLU A 61 0.7974 0.6794 0.4062 0.0410 -0.1329 -0.0506 ? ? ? ? ? ? 1916 GLU A CD +492 O OE1 . GLU A 61 0.7831 0.7062 0.4440 0.0271 -0.1533 -0.0618 ? ? ? ? ? ? 1916 GLU A OE1 +493 O OE2 . GLU A 61 0.8505 0.7186 0.4033 0.0434 -0.1338 -0.0651 ? ? ? ? ? ? 1916 GLU A OE2 +494 N N . LYS A 62 0.5433 0.3400 0.2401 0.0192 -0.0375 -0.0163 ? ? ? ? ? ? 1917 LYS A N +495 C CA . LYS A 62 0.5498 0.3354 0.2389 0.0211 -0.0107 -0.0115 ? ? ? ? ? ? 1917 LYS A CA +496 C C . LYS A 62 0.5556 0.3371 0.2598 0.0205 -0.0018 -0.0280 ? ? ? ? ? ? 1917 LYS A C +497 O O . LYS A 62 0.5774 0.3446 0.2515 0.0301 0.0165 -0.0353 ? ? ? ? ? ? 1917 LYS A O +498 C CB . LYS A 62 0.4864 0.2769 0.2081 0.0129 0.0030 0.0075 ? ? ? ? ? ? 1917 LYS A CB +499 C CG . LYS A 62 0.5621 0.3325 0.2550 0.0149 0.0082 0.0261 ? ? ? ? ? ? 1917 LYS A CG +500 C CD . LYS A 62 0.6198 0.3843 0.3440 -0.0033 0.0199 0.0374 ? ? ? ? ? ? 1917 LYS A CD +501 C CE . LYS A 62 0.5837 0.3673 0.3347 -0.0164 0.0452 0.0426 ? ? ? ? ? ? 1917 LYS A CE +502 N NZ . LYS A 62 0.6141 0.3918 0.3921 -0.0432 0.0554 0.0509 ? ? ? ? ? ? 1917 LYS A NZ +503 N N . LEU A 63 0.5349 0.3214 0.2784 0.0134 -0.0100 -0.0318 ? ? ? ? ? ? 1918 LEU A N +504 C CA . LEU A 63 0.5952 0.3654 0.3499 0.0174 0.0017 -0.0423 ? ? ? ? ? ? 1918 LEU A CA +505 C C . LEU A 63 0.5855 0.3229 0.2981 0.0147 0.0003 -0.0692 ? ? ? ? ? ? 1918 LEU A C +506 O O . LEU A 63 0.6824 0.3902 0.3730 0.0263 0.0218 -0.0793 ? ? ? ? ? ? 1918 LEU A O +507 C CB . LEU A 63 0.5970 0.3703 0.3895 0.0116 -0.0059 -0.0375 ? ? ? ? ? ? 1918 LEU A CB +508 C CG . LEU A 63 0.5575 0.3084 0.3620 0.0234 0.0114 -0.0370 ? ? ? ? ? ? 1918 LEU A CG +509 C CD1 . LEU A 63 0.5559 0.3328 0.3783 0.0433 0.0270 -0.0205 ? ? ? ? ? ? 1918 LEU A CD1 +510 C CD2 . LEU A 63 0.5330 0.2787 0.3608 0.0185 0.0062 -0.0292 ? ? ? ? ? ? 1918 LEU A CD2 +511 N N . SER A 64 0.6048 0.2953 0.2965 -0.0049 -0.0686 -0.0288 ? ? ? ? ? ? 1919 SER A N +512 C CA . SER A 64 0.6727 0.3168 0.3479 -0.0024 -0.0860 -0.0300 ? ? ? ? ? ? 1919 SER A CA +513 C C . SER A 64 0.6920 0.2863 0.3155 0.0038 -0.0916 -0.0344 ? ? ? ? ? ? 1919 SER A C +514 O O . SER A 64 0.7697 0.3206 0.3674 0.0072 -0.1051 -0.0379 ? ? ? ? ? ? 1919 SER A O +515 C CB . SER A 64 0.7247 0.3685 0.4334 -0.0112 -0.1066 -0.0350 ? ? ? ? ? ? 1919 SER A CB +516 O OG . SER A 64 0.7923 0.4832 0.5450 -0.0180 -0.0986 -0.0304 ? ? ? ? ? ? 1919 SER A OG +517 N N . SER A 65 0.6918 0.2921 0.2983 0.0041 -0.0819 -0.0341 ? ? ? ? ? ? 1920 SER A N +518 C CA . SER A 65 0.7556 0.3128 0.3086 0.0068 -0.0858 -0.0354 ? ? ? ? ? ? 1920 SER A CA +519 C C . SER A 65 0.7375 0.3060 0.2659 0.0143 -0.0581 -0.0301 ? ? ? ? ? ? 1920 SER A C +520 O O . SER A 65 0.7771 0.3266 0.2667 0.0135 -0.0540 -0.0277 ? ? ? ? ? ? 1920 SER A O +521 C CB . SER A 65 0.7356 0.2817 0.2904 -0.0028 -0.1050 -0.0357 ? ? ? ? ? ? 1920 SER A CB +522 O OG . SER A 65 0.7107 0.2974 0.3008 -0.0073 -0.0956 -0.0335 ? ? ? ? ? ? 1920 SER A OG +523 N N . GLY A 66 0.7095 0.3116 0.2639 0.0204 -0.0396 -0.0259 ? ? ? ? ? ? 1921 GLY A N +524 C CA . GLY A 66 0.7151 0.3324 0.2590 0.0291 -0.0134 -0.0203 ? ? ? ? ? ? 1921 GLY A CA +525 C C . GLY A 66 0.7065 0.3495 0.2552 0.0227 -0.0028 -0.0128 ? ? ? ? ? ? 1921 GLY A C +526 O O . GLY A 66 0.7360 0.3778 0.2617 0.0273 0.0159 -0.0080 ? ? ? ? ? ? 1921 GLY A O +527 N N . GLN A 67 0.6714 0.3391 0.2531 0.0118 -0.0138 -0.0124 ? ? ? ? ? ? 1922 GLN A N +528 C CA . GLN A 67 0.6889 0.3767 0.2801 0.0043 -0.0083 -0.0059 ? ? ? ? ? ? 1922 GLN A CA +529 C C . GLN A 67 0.6599 0.3978 0.2894 0.0036 0.0056 -0.0003 ? ? ? ? ? ? 1922 GLN A C +530 O O . GLN A 67 0.6337 0.3912 0.2781 -0.0034 0.0085 0.0049 ? ? ? ? ? ? 1922 GLN A O +531 C CB . GLN A 67 0.6730 0.3512 0.2779 -0.0067 -0.0316 -0.0115 ? ? ? ? ? ? 1922 GLN A CB +532 C CG . GLN A 67 0.7456 0.3732 0.3120 -0.0084 -0.0498 -0.0126 ? ? ? ? ? ? 1922 GLN A CG +533 C CD . GLN A 67 0.8112 0.4286 0.3987 -0.0186 -0.0750 -0.0150 ? ? ? ? ? ? 1922 GLN A CD +534 O OE1 . GLN A 67 0.9121 0.5429 0.5178 -0.0256 -0.0755 -0.0099 ? ? ? ? ? ? 1922 GLN A OE1 +535 N NE2 . GLN A 67 0.8624 0.4550 0.4537 -0.0196 -0.0981 -0.0226 ? ? ? ? ? ? 1922 GLN A NE2 +536 N N . TYR A 68 0.6017 0.3588 0.2477 0.0094 0.0111 0.0006 ? ? ? ? ? ? 1923 TYR A N +537 C CA . TYR A 68 0.5763 0.3777 0.2522 0.0094 0.0228 0.0097 ? ? ? ? ? ? 1923 TYR A CA +538 C C . TYR A 68 0.6847 0.4835 0.3540 0.0227 0.0415 0.0188 ? ? ? ? ? ? 1923 TYR A C +539 O O . TYR A 68 0.6485 0.4277 0.3092 0.0326 0.0420 0.0169 ? ? ? ? ? ? 1923 TYR A O +540 C CB . TYR A 68 0.5486 0.3791 0.2506 0.0044 0.0148 0.0084 ? ? ? ? ? ? 1923 TYR A CB +541 C CG . TYR A 68 0.5586 0.4012 0.2739 -0.0073 0.0018 -0.0043 ? ? ? ? ? ? 1923 TYR A CG +542 C CD1 . TYR A 68 0.5235 0.3843 0.2524 -0.0149 0.0002 -0.0082 ? ? ? ? ? ? 1923 TYR A CD1 +543 C CD2 . TYR A 68 0.5285 0.3640 0.2479 -0.0101 -0.0090 -0.0135 ? ? ? ? ? ? 1923 TYR A CD2 +544 C CE1 . TYR A 68 0.5120 0.3811 0.2571 -0.0232 -0.0117 -0.0244 ? ? ? ? ? ? 1923 TYR A CE1 +545 C CE2 . TYR A 68 0.5335 0.3823 0.2713 -0.0183 -0.0181 -0.0284 ? ? ? ? ? ? 1923 TYR A CE2 +546 C CZ . TYR A 68 0.5088 0.3732 0.2589 -0.0238 -0.0192 -0.0355 ? ? ? ? ? ? 1923 TYR A CZ +547 O OH . TYR A 68 0.5013 0.3762 0.2737 -0.0296 -0.0284 -0.0544 ? ? ? ? ? ? 1923 TYR A OH +548 N N . PRO A 69 0.5966 0.4150 0.2749 0.0234 0.0567 0.0281 ? ? ? ? ? ? 1924 PRO A N +549 C CA . PRO A 69 0.6162 0.4369 0.2961 0.0381 0.0781 0.0349 ? ? ? ? ? ? 1924 PRO A CA +550 C C . PRO A 69 0.6932 0.5453 0.4134 0.0438 0.0789 0.0442 ? ? ? ? ? ? 1924 PRO A C +551 O O . PRO A 69 0.6541 0.5031 0.3828 0.0591 0.0928 0.0472 ? ? ? ? ? ? 1924 PRO A O +552 C CB . PRO A 69 0.6727 0.5111 0.3575 0.0336 0.0934 0.0445 ? ? ? ? ? ? 1924 PRO A CB +553 C CG . PRO A 69 0.7023 0.5588 0.4051 0.0160 0.0761 0.0457 ? ? ? ? ? ? 1924 PRO A CG +554 C CD . PRO A 69 0.7009 0.5339 0.3881 0.0111 0.0546 0.0317 ? ? ? ? ? ? 1924 PRO A CD +555 N N . ASN A 70 0.4315 0.4773 0.4474 -0.0358 0.0433 -0.0702 ? ? ? ? ? ? 1925 ASN A N +556 C CA . ASN A 70 0.4714 0.4996 0.4763 0.0139 0.0064 -0.0819 ? ? ? ? ? ? 1925 ASN A CA +557 C C . ASN A 70 0.5267 0.4946 0.4568 0.0472 -0.0018 -0.0448 ? ? ? ? ? ? 1925 ASN A C +558 O O . ASN A 70 0.4838 0.4307 0.3776 0.0312 0.0198 -0.0159 ? ? ? ? ? ? 1925 ASN A O +559 C CB . ASN A 70 0.4381 0.5189 0.4946 0.0198 -0.0205 -0.1458 ? ? ? ? ? ? 1925 ASN A CB +560 C CG . ASN A 70 0.5050 0.6016 0.5610 -0.0002 -0.0158 -0.1643 ? ? ? ? ? ? 1925 ASN A CG +561 O OD1 . ASN A 70 0.5318 0.5851 0.5317 0.0105 -0.0139 -0.1350 ? ? ? ? ? ? 1925 ASN A OD1 +562 N ND2 . ASN A 70 0.4676 0.6274 0.5879 -0.0300 -0.0136 -0.2145 ? ? ? ? ? ? 1925 ASN A ND2 +563 N N . LEU A 71 0.4852 0.4256 0.3905 0.0947 -0.0338 -0.0468 ? ? ? ? ? ? 1926 LEU A N +564 C CA . LEU A 71 0.5380 0.4234 0.3683 0.1321 -0.0447 -0.0156 ? ? ? ? ? ? 1926 LEU A CA +565 C C . LEU A 71 0.5436 0.4346 0.3544 0.1281 -0.0453 -0.0276 ? ? ? ? ? ? 1926 LEU A C +566 O O . LEU A 71 0.5993 0.4542 0.3537 0.1323 -0.0308 0.0098 ? ? ? ? ? ? 1926 LEU A O +567 C CB . LEU A 71 0.6675 0.5310 0.4802 0.1844 -0.0862 -0.0315 ? ? ? ? ? ? 1926 LEU A CB +568 C CG . LEU A 71 0.7550 0.5819 0.5549 0.2042 -0.0922 -0.0045 ? ? ? ? ? ? 1926 LEU A CG +569 C CD1 . LEU A 71 0.8475 0.6409 0.6123 0.2603 -0.1361 -0.0174 ? ? ? ? ? ? 1926 LEU A CD1 +570 C CD2 . LEU A 71 0.8658 0.6447 0.6129 0.1951 -0.0593 0.0605 ? ? ? ? ? ? 1926 LEU A CD2 +571 N N . GLU A 72 0.5715 0.5093 0.4320 0.1217 -0.0641 -0.0830 ? ? ? ? ? ? 1927 GLU A N +572 C CA . GLU A 72 0.5779 0.5240 0.4307 0.1197 -0.0720 -0.1047 ? ? ? ? ? ? 1927 GLU A CA +573 C C . GLU A 72 0.5730 0.5093 0.4077 0.0802 -0.0371 -0.0756 ? ? ? ? ? ? 1927 GLU A C +574 O O . GLU A 72 0.5537 0.4621 0.3419 0.0926 -0.0399 -0.0625 ? ? ? ? ? ? 1927 GLU A O +575 C CB . GLU A 72 0.6153 0.6239 0.5431 0.1064 -0.0911 -0.1718 ? ? ? ? ? ? 1927 GLU A CB +576 C CG . GLU A 72 0.8258 0.8469 0.7580 0.0993 -0.1005 -0.2004 ? ? ? ? ? ? 1927 GLU A CG +577 N N . THR A 73 0.5470 0.5041 0.4151 0.0354 -0.0062 -0.0664 ? ? ? ? ? ? 1928 THR A N +578 C CA . THR A 73 0.4955 0.4412 0.3461 -0.0018 0.0240 -0.0418 ? ? ? ? ? ? 1928 THR A CA +579 C C . THR A 73 0.5349 0.4277 0.3179 0.0150 0.0389 0.0147 ? ? ? ? ? ? 1928 THR A C +580 O O . THR A 73 0.5398 0.4114 0.2889 0.0049 0.0508 0.0327 ? ? ? ? ? ? 1928 THR A O +581 C CB . THR A 73 0.4250 0.4065 0.3250 -0.0531 0.0524 -0.0485 ? ? ? ? ? ? 1928 THR A CB +582 O OG1 . THR A 73 0.5080 0.4871 0.4154 -0.0486 0.0618 -0.0272 ? ? ? ? ? ? 1928 THR A OG1 +583 C CG2 . THR A 73 0.3993 0.4391 0.3670 -0.0741 0.0425 -0.1057 ? ? ? ? ? ? 1928 THR A CG2 +584 N N . PHE A 74 0.5646 0.3316 0.2618 -0.0301 0.0485 -0.0061 ? ? ? ? ? ? 1929 PHE A N +585 C CA . PHE A 74 0.5491 0.3251 0.2601 -0.0229 0.0348 -0.0180 ? ? ? ? ? ? 1929 PHE A CA +586 C C . PHE A 74 0.6157 0.4065 0.3437 -0.0182 0.0268 -0.0127 ? ? ? ? ? ? 1929 PHE A C +587 O O . PHE A 74 0.5543 0.3386 0.2761 -0.0130 0.0104 -0.0174 ? ? ? ? ? ? 1929 PHE A O +588 C CB . PHE A 74 0.5645 0.3486 0.3036 -0.0227 0.0548 -0.0283 ? ? ? ? ? ? 1929 PHE A CB +589 C CG . PHE A 74 0.4998 0.2935 0.2719 -0.0189 0.0558 -0.0403 ? ? ? ? ? ? 1929 PHE A CG +590 C CD1 . PHE A 74 0.5029 0.3076 0.2841 -0.0216 0.0370 -0.0672 ? ? ? ? ? ? 1929 PHE A CD1 +591 C CD2 . PHE A 74 0.4529 0.2497 0.2464 -0.0064 0.0787 -0.0252 ? ? ? ? ? ? 1929 PHE A CD2 +592 C CE1 . PHE A 74 0.4579 0.2769 0.2836 -0.0213 0.0436 -0.0812 ? ? ? ? ? ? 1929 PHE A CE1 +593 C CE2 . PHE A 74 0.4903 0.2868 0.3147 -0.0010 0.0906 -0.0325 ? ? ? ? ? ? 1929 PHE A CE2 +594 C CZ . PHE A 74 0.5045 0.3123 0.3525 -0.0132 0.0747 -0.0618 ? ? ? ? ? ? 1929 PHE A CZ +595 N N . ALA A 75 0.5479 0.3644 0.2934 -0.0140 0.0373 -0.0050 ? ? ? ? ? ? 1930 ALA A N +596 C CA . ALA A 75 0.5326 0.3743 0.2874 -0.0025 0.0267 -0.0066 ? ? ? ? ? ? 1930 ALA A CA +597 C C . ALA A 75 0.5248 0.3534 0.2712 -0.0180 0.0099 -0.0174 ? ? ? ? ? ? 1930 ALA A C +598 O O . ALA A 75 0.5468 0.3755 0.2903 -0.0108 -0.0030 -0.0243 ? ? ? ? ? ? 1930 ALA A O +599 C CB . ALA A 75 0.5136 0.4026 0.2828 0.0147 0.0364 -0.0018 ? ? ? ? ? ? 1930 ALA A CB +600 N N . LEU A 76 0.5911 0.3997 0.3323 -0.0377 0.0184 -0.0181 ? ? ? ? ? ? 1931 LEU A N +601 C CA . LEU A 76 0.6182 0.3946 0.3528 -0.0541 0.0200 -0.0270 ? ? ? ? ? ? 1931 LEU A CA +602 C C . LEU A 76 0.6446 0.3746 0.3419 -0.0414 0.0111 -0.0210 ? ? ? ? ? ? 1931 LEU A C +603 O O . LEU A 76 0.6124 0.3233 0.3062 -0.0438 0.0082 -0.0297 ? ? ? ? ? ? 1931 LEU A O +604 C CB . LEU A 76 0.6987 0.4455 0.4305 -0.0728 0.0463 -0.0220 ? ? ? ? ? ? 1931 LEU A CB +605 C CG . LEU A 76 0.8144 0.6146 0.5990 -0.0911 0.0578 -0.0364 ? ? ? ? ? ? 1931 LEU A CG +606 C CD1 . LEU A 76 0.8747 0.6378 0.6587 -0.1087 0.0935 -0.0274 ? ? ? ? ? ? 1931 LEU A CD1 +607 C CD2 . LEU A 76 0.8739 0.7145 0.7025 -0.1062 0.0478 -0.0702 ? ? ? ? ? ? 1931 LEU A CD2 +608 N N . ASP A 77 0.5992 0.3174 0.2707 -0.0258 0.0065 -0.0110 ? ? ? ? ? ? 1932 ASP A N +609 C CA . ASP A 77 0.6270 0.3221 0.2671 -0.0051 -0.0063 -0.0086 ? ? ? ? ? ? 1932 ASP A CA +610 C C . ASP A 77 0.5628 0.2847 0.2273 0.0035 -0.0213 -0.0160 ? ? ? ? ? ? 1932 ASP A C +611 O O . ASP A 77 0.5691 0.2700 0.2162 0.0157 -0.0277 -0.0151 ? ? ? ? ? ? 1932 ASP A O +612 C CB . ASP A 77 0.6125 0.3143 0.2290 0.0122 -0.0140 -0.0097 ? ? ? ? ? ? 1932 ASP A CB +613 C CG . ASP A 77 0.6747 0.3288 0.2298 0.0290 -0.0012 0.0045 ? ? ? ? ? ? 1932 ASP A CG +614 O OD1 . ASP A 77 0.7730 0.3761 0.3102 0.0225 0.0230 0.0180 ? ? ? ? ? ? 1932 ASP A OD1 +615 O OD2 . ASP A 77 0.6836 0.3495 0.2072 0.0517 -0.0112 -0.0005 ? ? ? ? ? ? 1932 ASP A OD2 +616 N N . VAL A 78 0.4379 0.3036 0.2476 0.0313 -0.0191 0.0152 ? ? ? ? ? ? 1933 VAL A N +617 C CA . VAL A 78 0.4338 0.2859 0.2373 0.0247 -0.0186 0.0129 ? ? ? ? ? ? 1933 VAL A CA +618 C C . VAL A 78 0.4840 0.3284 0.2793 0.0198 -0.0215 0.0172 ? ? ? ? ? ? 1933 VAL A C +619 O O . VAL A 78 0.5009 0.3348 0.2884 0.0149 -0.0170 0.0160 ? ? ? ? ? ? 1933 VAL A O +620 C CB . VAL A 78 0.4509 0.2860 0.2452 0.0258 -0.0167 0.0125 ? ? ? ? ? ? 1933 VAL A CB +621 C CG1 . VAL A 78 0.4988 0.2992 0.2683 0.0210 -0.0062 0.0136 ? ? ? ? ? ? 1933 VAL A CG1 +622 C CG2 . VAL A 78 0.4373 0.2800 0.2479 0.0279 -0.0118 0.0030 ? ? ? ? ? ? 1933 VAL A CG2 +623 N N . ARG A 79 0.4693 0.3215 0.2741 0.0217 -0.0294 0.0172 ? ? ? ? ? ? 1934 ARG A N +624 C CA . ARG A 79 0.4629 0.3113 0.2681 0.0196 -0.0377 0.0133 ? ? ? ? ? ? 1934 ARG A CA +625 C C . ARG A 79 0.4983 0.3517 0.3146 0.0114 -0.0269 0.0147 ? ? ? ? ? ? 1934 ARG A C +626 O O . ARG A 79 0.5035 0.3481 0.3130 0.0075 -0.0297 0.0123 ? ? ? ? ? ? 1934 ARG A O +627 C CB . ARG A 79 0.4473 0.3108 0.2786 0.0259 -0.0529 0.0017 ? ? ? ? ? ? 1934 ARG A CB +628 C CG . ARG A 79 0.5368 0.3831 0.3417 0.0417 -0.0697 -0.0004 ? ? ? ? ? ? 1934 ARG A CG +629 C CD . ARG A 79 0.5386 0.4082 0.3808 0.0528 -0.0886 -0.0175 ? ? ? ? ? ? 1934 ARG A CD +630 N NE . ARG A 79 0.6002 0.4425 0.4026 0.0746 -0.1070 -0.0180 ? ? ? ? ? ? 1934 ARG A NE +631 C CZ . ARG A 79 0.6484 0.5052 0.4737 0.0878 -0.1203 -0.0287 ? ? ? ? ? ? 1934 ARG A CZ +632 N NH1 . ARG A 79 0.5504 0.4519 0.4452 0.0782 -0.1132 -0.0412 ? ? ? ? ? ? 1934 ARG A NH1 +633 N NH2 . ARG A 79 0.6762 0.4951 0.4505 0.1119 -0.1365 -0.0270 ? ? ? ? ? ? 1934 ARG A NH2 +634 N N . LEU A 80 0.4479 0.3065 0.2710 0.0121 -0.0136 0.0189 ? ? ? ? ? ? 1935 LEU A N +635 C CA . LEU A 80 0.4804 0.3277 0.2965 0.0107 0.0002 0.0230 ? ? ? ? ? ? 1935 LEU A CA +636 C C . LEU A 80 0.5333 0.3719 0.3301 0.0129 -0.0049 0.0233 ? ? ? ? ? ? 1935 LEU A C +637 O O . LEU A 80 0.4765 0.3051 0.2692 0.0096 -0.0004 0.0240 ? ? ? ? ? ? 1935 LEU A O +638 C CB . LEU A 80 0.4799 0.3155 0.2807 0.0208 0.0158 0.0290 ? ? ? ? ? ? 1935 LEU A CB +639 C CG . LEU A 80 0.4921 0.2961 0.2597 0.0299 0.0312 0.0360 ? ? ? ? ? ? 1935 LEU A CG +640 C CD1 . LEU A 80 0.5264 0.3171 0.3122 0.0159 0.0528 0.0363 ? ? ? ? ? ? 1935 LEU A CD1 +641 C CD2 . LEU A 80 0.5157 0.2933 0.2436 0.0496 0.0433 0.0418 ? ? ? ? ? ? 1935 LEU A CD2 +642 N N . VAL A 81 0.4541 0.2968 0.2469 0.0170 -0.0113 0.0191 ? ? ? ? ? ? 1936 VAL A N +643 C CA . VAL A 81 0.4711 0.3103 0.2635 0.0165 -0.0117 0.0117 ? ? ? ? ? ? 1936 VAL A CA +644 C C . VAL A 81 0.5379 0.3649 0.3239 0.0062 -0.0090 0.0131 ? ? ? ? ? ? 1936 VAL A C +645 O O . VAL A 81 0.4820 0.3036 0.2667 0.0050 -0.0061 0.0103 ? ? ? ? ? ? 1936 VAL A O +646 C CB . VAL A 81 0.4790 0.3237 0.2852 0.0166 -0.0106 0.0003 ? ? ? ? ? ? 1936 VAL A CB +647 C CG1 . VAL A 81 0.4216 0.2627 0.2428 0.0110 -0.0022 -0.0131 ? ? ? ? ? ? 1936 VAL A CG1 +648 C CG2 . VAL A 81 0.4144 0.2728 0.2280 0.0310 -0.0190 -0.0082 ? ? ? ? ? ? 1936 VAL A CG2 +649 N N . PHE A 82 0.4821 0.3009 0.2584 0.0033 -0.0131 0.0155 ? ? ? ? ? ? 1937 PHE A N +650 C CA . PHE A 82 0.4827 0.2802 0.2376 0.0007 -0.0145 0.0142 ? ? ? ? ? ? 1937 PHE A CA +651 C C . PHE A 82 0.5163 0.3206 0.2818 -0.0016 -0.0229 0.0113 ? ? ? ? ? ? 1937 PHE A C +652 O O . PHE A 82 0.5282 0.3185 0.2808 -0.0039 -0.0231 0.0080 ? ? ? ? ? ? 1937 PHE A O +653 C CB . PHE A 82 0.4952 0.2670 0.2182 0.0080 -0.0189 0.0151 ? ? ? ? ? ? 1937 PHE A CB +654 C CG . PHE A 82 0.5580 0.3163 0.2756 0.0067 -0.0019 0.0162 ? ? ? ? ? ? 1937 PHE A CG +655 C CD1 . PHE A 82 0.5301 0.2841 0.2612 -0.0021 0.0192 0.0098 ? ? ? ? ? ? 1937 PHE A CD1 +656 C CD2 . PHE A 82 0.5609 0.3150 0.2723 0.0136 -0.0058 0.0186 ? ? ? ? ? ? 1937 PHE A CD2 +657 C CE1 . PHE A 82 0.5648 0.3109 0.3099 -0.0064 0.0386 0.0026 ? ? ? ? ? ? 1937 PHE A CE1 +658 C CE2 . PHE A 82 0.6261 0.3662 0.3400 0.0100 0.0140 0.0164 ? ? ? ? ? ? 1937 PHE A CE2 +659 C CZ . PHE A 82 0.5869 0.3244 0.3222 -0.0014 0.0373 0.0067 ? ? ? ? ? ? 1937 PHE A CZ +660 N N . ASP A 83 0.4960 0.3194 0.2894 -0.0024 -0.0253 0.0098 ? ? ? ? ? ? 1938 ASP A N +661 C CA . ASP A 83 0.5226 0.3523 0.3427 -0.0091 -0.0228 0.0024 ? ? ? ? ? ? 1938 ASP A CA +662 C C . ASP A 83 0.5649 0.3822 0.3775 -0.0129 -0.0067 0.0090 ? ? ? ? ? ? 1938 ASP A C +663 O O . ASP A 83 0.4929 0.3032 0.3121 -0.0188 -0.0051 0.0030 ? ? ? ? ? ? 1938 ASP A O +664 C CB . ASP A 83 0.5111 0.3582 0.3697 -0.0119 -0.0154 -0.0028 ? ? ? ? ? ? 1938 ASP A CB +665 C CG . ASP A 83 0.5785 0.4424 0.4568 -0.0053 -0.0371 -0.0172 ? ? ? ? ? ? 1938 ASP A CG +666 O OD1 . ASP A 83 0.5093 0.3629 0.3618 0.0047 -0.0602 -0.0236 ? ? ? ? ? ? 1938 ASP A OD1 +667 O OD2 . ASP A 83 0.5160 0.3973 0.4301 -0.0065 -0.0304 -0.0234 ? ? ? ? ? ? 1938 ASP A OD2 +668 N N . ASN A 84 0.5161 0.3285 0.3133 -0.0057 0.0018 0.0183 ? ? ? ? ? ? 1939 ASN A N +669 C CA . ASN A 84 0.5625 0.3581 0.3431 0.0000 0.0100 0.0220 ? ? ? ? ? ? 1939 ASN A CA +670 C C . ASN A 84 0.5528 0.3461 0.3285 -0.0030 0.0039 0.0162 ? ? ? ? ? ? 1939 ASN A C +671 O O . ASN A 84 0.5340 0.3143 0.3054 -0.0040 0.0089 0.0154 ? ? ? ? ? ? 1939 ASN A O +672 C CB . ASN A 84 0.4680 0.2594 0.2293 0.0178 0.0087 0.0249 ? ? ? ? ? ? 1939 ASN A CB +673 C CG . ASN A 84 0.5388 0.3144 0.2857 0.0256 0.0224 0.0333 ? ? ? ? ? ? 1939 ASN A CG +674 O OD1 . ASN A 84 0.5172 0.2816 0.2753 0.0149 0.0415 0.0365 ? ? ? ? ? ? 1939 ASN A OD1 +675 N ND2 . ASN A 84 0.5097 0.2812 0.2335 0.0452 0.0154 0.0330 ? ? ? ? ? ? 1939 ASN A ND2 +676 N N . CYS A 85 0.5390 0.3383 0.3127 -0.0044 -0.0016 0.0121 ? ? ? ? ? ? 1940 CYS A N +677 C CA . CYS A 85 0.5175 0.3059 0.2835 -0.0079 0.0027 0.0058 ? ? ? ? ? ? 1940 CYS A CA +678 C C . CYS A 85 0.5534 0.3270 0.3065 -0.0135 -0.0001 0.0044 ? ? ? ? ? ? 1940 CYS A C +679 O O . CYS A 85 0.5661 0.3289 0.3143 -0.0154 0.0055 0.0006 ? ? ? ? ? ? 1940 CYS A O +680 C CB . CYS A 85 0.5181 0.2995 0.2774 -0.0097 0.0093 0.0025 ? ? ? ? ? ? 1940 CYS A CB +681 S SG . CYS A 85 0.5454 0.2995 0.2930 -0.0160 0.0312 -0.0066 ? ? ? ? ? ? 1940 CYS A SG +682 N N . GLU A 86 0.5174 0.2928 0.2700 -0.0138 -0.0118 0.0027 ? ? ? ? ? ? 1941 GLU A N +683 C CA . GLU A 86 0.5642 0.3302 0.3120 -0.0150 -0.0224 -0.0074 ? ? ? ? ? ? 1941 GLU A CA +684 C C . GLU A 86 0.5890 0.3603 0.3647 -0.0230 -0.0145 -0.0106 ? ? ? ? ? ? 1941 GLU A C +685 O O . GLU A 86 0.5495 0.3093 0.3208 -0.0255 -0.0168 -0.0190 ? ? ? ? ? ? 1941 GLU A O +686 C CB . GLU A 86 0.6149 0.3886 0.3693 -0.0082 -0.0440 -0.0184 ? ? ? ? ? ? 1941 GLU A CB +687 C CG . GLU A 86 0.6297 0.3788 0.3361 0.0060 -0.0536 -0.0160 ? ? ? ? ? ? 1941 GLU A CG +688 C CD . GLU A 86 0.6721 0.4182 0.3706 0.0230 -0.0860 -0.0345 ? ? ? ? ? ? 1941 GLU A CD +689 O OE1 . GLU A 86 0.6873 0.4342 0.3944 0.0264 -0.1028 -0.0532 ? ? ? ? ? ? 1941 GLU A OE1 +690 O OE2 . GLU A 86 0.7424 0.4857 0.4286 0.0357 -0.0977 -0.0343 ? ? ? ? ? ? 1941 GLU A OE2 +691 N N . THR A 87 0.5378 0.3175 0.3348 -0.0252 -0.0020 -0.0038 ? ? ? ? ? ? 1942 THR A N +692 C CA . THR A 87 0.5072 0.2743 0.3188 -0.0310 0.0155 -0.0037 ? ? ? ? ? ? 1942 THR A CA +693 C C . THR A 87 0.5701 0.3178 0.3566 -0.0258 0.0214 0.0017 ? ? ? ? ? ? 1942 THR A C +694 O O . THR A 87 0.5430 0.2747 0.3343 -0.0308 0.0302 -0.0025 ? ? ? ? ? ? 1942 THR A O +695 C CB . THR A 87 0.5028 0.2629 0.3198 -0.0289 0.0356 0.0061 ? ? ? ? ? ? 1942 THR A CB +696 O OG1 . THR A 87 0.5373 0.3181 0.3918 -0.0363 0.0342 -0.0041 ? ? ? ? ? ? 1942 THR A OG1 +697 C CG2 . THR A 87 0.5361 0.2612 0.3491 -0.0314 0.0639 0.0102 ? ? ? ? ? ? 1942 THR A CG2 +698 N N . PHE A 88 0.5319 0.2831 0.3002 -0.0156 0.0168 0.0065 ? ? ? ? ? ? 1943 PHE A N +699 C CA . PHE A 88 0.5991 0.3386 0.3556 -0.0061 0.0199 0.0056 ? ? ? ? ? ? 1943 PHE A CA +700 C C . PHE A 88 0.6044 0.3460 0.3602 -0.0102 0.0179 -0.0040 ? ? ? ? ? ? 1943 PHE A C +701 O O . PHE A 88 0.6236 0.3597 0.3806 -0.0035 0.0210 -0.0100 ? ? ? ? ? ? 1943 PHE A O +702 C CB . PHE A 88 0.5408 0.2840 0.2897 0.0127 0.0155 0.0074 ? ? ? ? ? ? 1943 PHE A CB +703 C CG . PHE A 88 0.5934 0.3157 0.3247 0.0330 0.0145 0.0053 ? ? ? ? ? ? 1943 PHE A CG +704 C CD1 . PHE A 88 0.6036 0.2865 0.3035 0.0426 0.0272 0.0172 ? ? ? ? ? ? 1943 PHE A CD1 +705 C CD2 . PHE A 88 0.5494 0.2859 0.2958 0.0447 0.0035 -0.0113 ? ? ? ? ? ? 1943 PHE A CD2 +706 C CE1 . PHE A 88 0.6842 0.3348 0.3517 0.0689 0.0245 0.0164 ? ? ? ? ? ? 1943 PHE A CE1 +707 C CE2 . PHE A 88 0.5767 0.2944 0.3069 0.0702 -0.0045 -0.0179 ? ? ? ? ? ? 1943 PHE A CE2 +708 C CZ . PHE A 88 0.6842 0.3551 0.3667 0.0851 0.0036 -0.0021 ? ? ? ? ? ? 1943 PHE A CZ +709 N N . ASN A 89 0.5350 0.2771 0.2832 -0.0179 0.0148 -0.0067 ? ? ? ? ? ? 1944 ASN A N +710 C CA . ASN A 89 0.5694 0.2966 0.3016 -0.0202 0.0230 -0.0138 ? ? ? ? ? ? 1944 ASN A CA +711 C C . ASN A 89 0.6123 0.3161 0.3121 -0.0220 0.0167 -0.0173 ? ? ? ? ? ? 1944 ASN A C +712 O O . ASN A 89 0.5993 0.3047 0.2910 -0.0194 0.0015 -0.0175 ? ? ? ? ? ? 1944 ASN A O +713 C CB . ASN A 89 0.6164 0.3469 0.3517 -0.0198 0.0329 -0.0158 ? ? ? ? ? ? 1944 ASN A CB +714 C CG . ASN A 89 0.5703 0.3266 0.3427 -0.0130 0.0326 -0.0227 ? ? ? ? ? ? 1944 ASN A CG +715 O OD1 . ASN A 89 0.5987 0.3603 0.3947 -0.0103 0.0404 -0.0371 ? ? ? ? ? ? 1944 ASN A OD1 +716 N ND2 . ASN A 89 0.5041 0.2763 0.2830 -0.0071 0.0213 -0.0166 ? ? ? ? ? ? 1944 ASN A ND2 +717 N N . GLU A 90 0.6617 0.2709 0.2922 -0.0009 -0.0431 -0.0189 ? ? ? ? ? ? 1945 GLU A N +718 C CA . GLU A 90 0.6969 0.2833 0.2846 -0.0021 -0.0453 -0.0373 ? ? ? ? ? ? 1945 GLU A CA +719 C C . GLU A 90 0.6842 0.2900 0.2597 0.0095 -0.0515 -0.0338 ? ? ? ? ? ? 1945 GLU A C +720 O O . GLU A 90 0.6618 0.2758 0.2550 0.0213 -0.0391 -0.0205 ? ? ? ? ? ? 1945 GLU A O +721 C CB A GLU A 90 0.7491 0.2830 0.3105 0.0061 -0.0212 -0.0437 ? ? ? ? ? ? 1945 GLU A CB +722 C CB B GLU A 90 0.7496 0.2831 0.3113 0.0053 -0.0215 -0.0440 ? ? ? ? ? ? 1945 GLU A CB +723 C CG A GLU A 90 0.8407 0.3404 0.4150 0.0013 -0.0078 -0.0433 ? ? ? ? ? ? 1945 GLU A CG +724 C CG B GLU A 90 0.7861 0.2833 0.3468 -0.0078 -0.0140 -0.0528 ? ? ? ? ? ? 1945 GLU A CG +725 C CD A GLU A 90 1.0169 0.4661 0.5775 0.0165 0.0229 -0.0479 ? ? ? ? ? ? 1945 GLU A CD +726 C CD B GLU A 90 0.8351 0.3297 0.3681 -0.0336 -0.0307 -0.0781 ? ? ? ? ? ? 1945 GLU A CD +727 O OE1 A GLU A 90 1.0741 0.4898 0.5862 0.0113 0.0317 -0.0701 ? ? ? ? ? ? 1945 GLU A OE1 +728 O OE1 B GLU A 90 0.9127 0.4252 0.4165 -0.0358 -0.0473 -0.0906 ? ? ? ? ? ? 1945 GLU A OE1 +729 O OE2 A GLU A 90 1.1134 0.5589 0.7121 0.0342 0.0383 -0.0298 ? ? ? ? ? ? 1945 GLU A OE2 +730 O OE2 B GLU A 90 0.8864 0.3619 0.4274 -0.0522 -0.0275 -0.0848 ? ? ? ? ? ? 1945 GLU A OE2 +731 N N . ASP A 91 0.7341 0.3474 0.2809 0.0059 -0.0707 -0.0454 ? ? ? ? ? ? 1946 ASP A N +732 C CA . ASP A 91 0.7468 0.3653 0.2707 0.0211 -0.0762 -0.0384 ? ? ? ? ? ? 1946 ASP A CA +733 C C . ASP A 91 0.8490 0.4263 0.3389 0.0340 -0.0490 -0.0321 ? ? ? ? ? ? 1946 ASP A C +734 O O . ASP A 91 0.8195 0.3961 0.3115 0.0457 -0.0373 -0.0186 ? ? ? ? ? ? 1946 ASP A O +735 C CB . ASP A 91 0.7500 0.3796 0.2401 0.0189 -0.1045 -0.0505 ? ? ? ? ? ? 1946 ASP A CB +736 C CG . ASP A 91 0.7965 0.4780 0.3315 0.0084 -0.1292 -0.0571 ? ? ? ? ? ? 1946 ASP A CG +737 O OD1 . ASP A 91 0.7169 0.4222 0.3003 0.0060 -0.1226 -0.0493 ? ? ? ? ? ? 1946 ASP A OD1 +738 O OD2 . ASP A 91 0.8463 0.5483 0.3685 0.0011 -0.1548 -0.0722 ? ? ? ? ? ? 1946 ASP A OD2 +739 N N . ASP A 92 0.8167 0.3564 0.2763 0.0298 -0.0345 -0.0444 ? ? ? ? ? ? 1947 ASP A N +740 C CA . ASP A 92 0.9132 0.4127 0.3425 0.0403 -0.0021 -0.0427 ? ? ? ? ? ? 1947 ASP A CA +741 C C . ASP A 92 0.8321 0.3366 0.3186 0.0465 0.0237 -0.0331 ? ? ? ? ? ? 1947 ASP A C +742 O O . ASP A 92 0.8541 0.3316 0.3453 0.0484 0.0445 -0.0403 ? ? ? ? ? ? 1947 ASP A O +743 C CB . ASP A 92 0.9411 0.3954 0.3089 0.0328 0.0058 -0.0644 ? ? ? ? ? ? 1947 ASP A CB +744 C CG . ASP A 92 1.0843 0.4946 0.4086 0.0425 0.0428 -0.0653 ? ? ? ? ? ? 1947 ASP A CG +745 O OD1 . ASP A 92 1.0182 0.4348 0.3585 0.0540 0.0603 -0.0481 ? ? ? ? ? ? 1947 ASP A OD1 +746 O OD2 . ASP A 92 1.1634 0.5412 0.4503 0.0350 0.0566 -0.0822 ? ? ? ? ? ? 1947 ASP A OD2 +747 N N . SER A 93 0.7999 0.3407 0.3316 0.0502 0.0215 -0.0178 ? ? ? ? ? ? 1948 SER A N +748 C CA . SER A 93 0.7836 0.3439 0.3725 0.0559 0.0399 -0.0079 ? ? ? ? ? ? 1948 SER A CA +749 C C . SER A 93 0.6889 0.2767 0.2998 0.0558 0.0427 0.0019 ? ? ? ? ? ? 1948 SER A C +750 O O . SER A 93 0.7197 0.3107 0.3088 0.0533 0.0277 0.0033 ? ? ? ? ? ? 1948 SER A O +751 C CB . SER A 93 0.7489 0.3332 0.3822 0.0514 0.0248 -0.0029 ? ? ? ? ? ? 1948 SER A CB +752 O OG . SER A 93 0.6493 0.2695 0.2976 0.0404 -0.0007 0.0011 ? ? ? ? ? ? 1948 SER A OG +753 N N . ASP A 94 0.6936 0.3018 0.3511 0.0586 0.0627 0.0073 ? ? ? ? ? ? 1949 ASP A N +754 C CA . ASP A 94 0.6483 0.2801 0.3294 0.0526 0.0697 0.0119 ? ? ? ? ? ? 1949 ASP A CA +755 C C . ASP A 94 0.6349 0.3011 0.3356 0.0423 0.0423 0.0138 ? ? ? ? ? ? 1949 ASP A C +756 O O . ASP A 94 0.6226 0.2847 0.3112 0.0388 0.0422 0.0141 ? ? ? ? ? ? 1949 ASP A O +757 C CB . ASP A 94 0.6801 0.3424 0.4208 0.0527 0.0921 0.0131 ? ? ? ? ? ? 1949 ASP A CB +758 C CG . ASP A 94 0.8270 0.4565 0.5538 0.0611 0.1303 0.0087 ? ? ? ? ? ? 1949 ASP A CG +759 O OD1 . ASP A 94 0.7538 0.3596 0.4553 0.0565 0.1554 0.0079 ? ? ? ? ? ? 1949 ASP A OD1 +760 O OD2 . ASP A 94 0.9217 0.5447 0.6619 0.0722 0.1393 0.0060 ? ? ? ? ? ? 1949 ASP A OD2 +761 N N . ILE A 95 0.5754 0.2699 0.3035 0.0382 0.0226 0.0157 ? ? ? ? ? ? 1950 ILE A N +762 C CA . ILE A 95 0.5564 0.2841 0.3011 0.0256 0.0014 0.0155 ? ? ? ? ? ? 1950 ILE A CA +763 C C . ILE A 95 0.6088 0.3209 0.3189 0.0247 -0.0143 0.0103 ? ? ? ? ? ? 1950 ILE A C +764 O O . ILE A 95 0.5735 0.3000 0.2888 0.0191 -0.0207 0.0072 ? ? ? ? ? ? 1950 ILE A O +765 C CB . ILE A 95 0.5855 0.3434 0.3599 0.0211 -0.0133 0.0226 ? ? ? ? ? ? 1950 ILE A CB +766 C CG1 . ILE A 95 0.5492 0.3409 0.3691 0.0230 -0.0048 0.0281 ? ? ? ? ? ? 1950 ILE A CG1 +767 C CG2 . ILE A 95 0.5971 0.3807 0.3732 0.0053 -0.0325 0.0207 ? ? ? ? ? ? 1950 ILE A CG2 +768 C CD1 . ILE A 95 0.5795 0.3987 0.4246 0.0255 -0.0219 0.0414 ? ? ? ? ? ? 1950 ILE A CD1 +769 N N . GLY A 96 0.6252 0.3097 0.3037 0.0299 -0.0193 0.0071 ? ? ? ? ? ? 1951 GLY A N +770 C CA . GLY A 96 0.6116 0.2894 0.2611 0.0290 -0.0371 -0.0001 ? ? ? ? ? ? 1951 GLY A CA +771 C C . GLY A 96 0.7012 0.3677 0.3282 0.0394 -0.0348 0.0026 ? ? ? ? ? ? 1951 GLY A C +772 O O . GLY A 96 0.6510 0.3354 0.2856 0.0403 -0.0491 0.0011 ? ? ? ? ? ? 1951 GLY A O +773 N N . ARG A 97 0.6723 0.3063 0.2726 0.0486 -0.0137 0.0077 ? ? ? ? ? ? 1952 ARG A N +774 C CA . ARG A 97 0.7080 0.3186 0.2785 0.0598 -0.0067 0.0157 ? ? ? ? ? ? 1952 ARG A CA +775 C C . ARG A 97 0.6532 0.2819 0.2632 0.0559 0.0016 0.0190 ? ? ? ? ? ? 1952 ARG A C +776 O O . ARG A 97 0.6859 0.3071 0.2872 0.0654 -0.0040 0.0240 ? ? ? ? ? ? 1952 ARG A O +777 C CB . ARG A 97 0.7201 0.2869 0.2501 0.0660 0.0221 0.0206 ? ? ? ? ? ? 1952 ARG A CB +778 C CG . ARG A 97 0.8602 0.3962 0.3279 0.0712 0.0148 0.0155 ? ? ? ? ? ? 1952 ARG A CG +779 C CD . ARG A 97 0.9027 0.3907 0.3213 0.0760 0.0489 0.0196 ? ? ? ? ? ? 1952 ARG A CD +780 N NE . ARG A 97 0.8657 0.3574 0.3226 0.0700 0.0787 0.0127 ? ? ? ? ? ? 1952 ARG A NE +781 C CZ . ARG A 97 0.9191 0.4007 0.3699 0.0686 0.0845 0.0005 ? ? ? ? ? ? 1952 ARG A CZ +782 N NH1 . ARG A 97 0.9534 0.4189 0.3569 0.0669 0.0633 -0.0099 ? ? ? ? ? ? 1952 ARG A NH1 +783 N NH2 . ARG A 97 0.9872 0.4760 0.4833 0.0689 0.1122 -0.0028 ? ? ? ? ? ? 1952 ARG A NH2 +784 N N . ALA A 98 0.6050 0.2574 0.2584 0.0426 0.0147 0.0153 ? ? ? ? ? ? 1953 ALA A N +785 C CA . ALA A 98 0.6213 0.2933 0.3109 0.0320 0.0231 0.0120 ? ? ? ? ? ? 1953 ALA A CA +786 C C . ALA A 98 0.5805 0.2741 0.2824 0.0309 0.0029 0.0067 ? ? ? ? ? ? 1953 ALA A C +787 O O . ALA A 98 0.5731 0.2573 0.2806 0.0340 0.0110 0.0057 ? ? ? ? ? ? 1953 ALA A O +788 C CB . ALA A 98 0.5618 0.2712 0.2961 0.0154 0.0291 0.0066 ? ? ? ? ? ? 1953 ALA A CB +789 N N . GLY A 99 0.5830 0.3023 0.2914 0.0262 -0.0190 0.0024 ? ? ? ? ? ? 1954 GLY A N +790 C CA . GLY A 99 0.5429 0.2889 0.2692 0.0219 -0.0342 -0.0053 ? ? ? ? ? ? 1954 GLY A CA +791 C C . GLY A 99 0.5743 0.3068 0.2859 0.0415 -0.0428 -0.0026 ? ? ? ? ? ? 1954 GLY A C +792 O O . GLY A 99 0.5464 0.2882 0.2800 0.0454 -0.0400 -0.0067 ? ? ? ? ? ? 1954 GLY A O +793 N N . HIS A 100 0.6004 0.3108 0.2738 0.0550 -0.0536 0.0042 ? ? ? ? ? ? 1955 HIS A N +794 C CA . HIS A 100 0.6181 0.3190 0.2715 0.0772 -0.0682 0.0110 ? ? ? ? ? ? 1955 HIS A CA +795 C C . HIS A 100 0.6493 0.3154 0.2956 0.0930 -0.0475 0.0236 ? ? ? ? ? ? 1955 HIS A C +796 O O . HIS A 100 0.6697 0.3404 0.3316 0.1100 -0.0540 0.0273 ? ? ? ? ? ? 1955 HIS A O +797 C CB . HIS A 100 0.6945 0.3748 0.2946 0.0853 -0.0832 0.0149 ? ? ? ? ? ? 1955 HIS A CB +798 C CG . HIS A 100 0.7385 0.4490 0.3460 0.0705 -0.1052 -0.0004 ? ? ? ? ? ? 1955 HIS A CG +799 N ND1 . HIS A 100 0.7218 0.4744 0.3556 0.0704 -0.1313 -0.0099 ? ? ? ? ? ? 1955 HIS A ND1 +800 C CD2 . HIS A 100 0.7230 0.4251 0.3191 0.0544 -0.1013 -0.0088 ? ? ? ? ? ? 1955 HIS A CD2 +801 C CE1 . HIS A 100 0.6958 0.4631 0.3311 0.0505 -0.1417 -0.0249 ? ? ? ? ? ? 1955 HIS A CE1 +802 N NE2 . HIS A 100 0.6775 0.4098 0.2875 0.0418 -0.1234 -0.0235 ? ? ? ? ? ? 1955 HIS A NE2 +803 N N . ASN A 101 0.6652 0.2957 0.2925 0.0876 -0.0200 0.0298 ? ? ? ? ? ? 1956 ASN A N +804 C CA . ASN A 101 0.7039 0.2917 0.3228 0.0966 0.0072 0.0406 ? ? ? ? ? ? 1956 ASN A CA +805 C C . ASN A 101 0.6778 0.2829 0.3474 0.0883 0.0186 0.0290 ? ? ? ? ? ? 1956 ASN A C +806 O O . ASN A 101 0.7138 0.2916 0.3849 0.1057 0.0279 0.0365 ? ? ? ? ? ? 1956 ASN A O +807 C CB . ASN A 101 0.7194 0.2767 0.3225 0.0834 0.0394 0.0430 ? ? ? ? ? ? 1956 ASN A CB +808 C CG . ASN A 101 0.8299 0.3496 0.3703 0.0948 0.0414 0.0560 ? ? ? ? ? ? 1956 ASN A CG +809 O OD1 . ASN A 101 0.8855 0.3989 0.3860 0.1126 0.0157 0.0641 ? ? ? ? ? ? 1956 ASN A OD1 +810 N ND2 . ASN A 101 0.8093 0.3078 0.3418 0.0827 0.0727 0.0555 ? ? ? ? ? ? 1956 ASN A ND2 +811 N N . MET A 102 0.5470 0.2688 0.2644 0.0023 0.0138 0.0050 ? ? ? ? ? ? 1957 MET A N +812 C CA . MET A 102 0.5273 0.2765 0.2795 0.0003 0.0000 0.0099 ? ? ? ? ? ? 1957 MET A CA +813 C C . MET A 102 0.5890 0.3390 0.3233 0.0050 -0.0262 0.0155 ? ? ? ? ? ? 1957 MET A C +814 O O . MET A 102 0.5523 0.3040 0.2933 0.0031 -0.0288 0.0191 ? ? ? ? ? ? 1957 MET A O +815 C CB . MET A 102 0.4798 0.2734 0.2908 0.0000 -0.0063 0.0075 ? ? ? ? ? ? 1957 MET A CB +816 C CG . MET A 102 0.6127 0.4222 0.4668 -0.0037 0.0165 0.0017 ? ? ? ? ? ? 1957 MET A CG +817 S SD . MET A 102 0.7378 0.5435 0.6050 -0.0199 0.0399 -0.0088 ? ? ? ? ? ? 1957 MET A SD +818 C CE . MET A 102 0.6630 0.5093 0.5480 -0.0285 0.0121 -0.0150 ? ? ? ? ? ? 1957 MET A CE +819 N N . ARG A 103 0.5532 0.3017 0.2736 0.0092 -0.0411 0.0124 ? ? ? ? ? ? 1958 ARG A N +820 C CA . ARG A 103 0.5915 0.3459 0.3073 0.0129 -0.0644 0.0150 ? ? ? ? ? ? 1958 ARG A CA +821 C C . ARG A 103 0.6116 0.3478 0.2906 0.0199 -0.0693 0.0265 ? ? ? ? ? ? 1958 ARG A C +822 O O . ARG A 103 0.6111 0.3510 0.3056 0.0247 -0.0768 0.0352 ? ? ? ? ? ? 1958 ARG A O +823 C CB . ARG A 103 0.5698 0.3285 0.2873 0.0118 -0.0755 0.0030 ? ? ? ? ? ? 1958 ARG A CB +824 C CG . ARG A 103 0.5778 0.3516 0.3121 0.0134 -0.0970 0.0022 ? ? ? ? ? ? 1958 ARG A CG +825 C CD . ARG A 103 0.5623 0.3408 0.2962 0.0079 -0.1080 -0.0171 ? ? ? ? ? ? 1958 ARG A CD +826 N NE . ARG A 103 0.5556 0.3292 0.3215 0.0018 -0.0900 -0.0273 ? ? ? ? ? ? 1958 ARG A NE +827 C CZ . ARG A 103 0.5862 0.3670 0.3949 0.0016 -0.0853 -0.0233 ? ? ? ? ? ? 1958 ARG A CZ +828 N NH1 . ARG A 103 0.5390 0.3340 0.3631 0.0039 -0.0963 -0.0151 ? ? ? ? ? ? 1958 ARG A NH1 +829 N NH2 . ARG A 103 0.5120 0.2812 0.3494 0.0003 -0.0635 -0.0254 ? ? ? ? ? ? 1958 ARG A NH2 +830 N N . LYS A 104 0.6302 0.3448 0.2594 0.0220 -0.0618 0.0287 ? ? ? ? ? ? 1959 LYS A N +831 C CA . LYS A 104 0.6481 0.3436 0.2313 0.0341 -0.0652 0.0496 ? ? ? ? ? ? 1959 LYS A CA +832 C C . LYS A 104 0.6873 0.3628 0.2922 0.0364 -0.0403 0.0657 ? ? ? ? ? ? 1959 LYS A C +833 O O . LYS A 104 0.7014 0.3684 0.3097 0.0491 -0.0444 0.0856 ? ? ? ? ? ? 1959 LYS A O +834 C CB . LYS A 104 0.7007 0.3735 0.2126 0.0337 -0.0543 0.0494 ? ? ? ? ? ? 1959 LYS A CB +835 C CG . LYS A 104 0.8488 0.5102 0.3116 0.0497 -0.0575 0.0780 ? ? ? ? ? ? 1959 LYS A CG +836 C CD . LYS A 104 0.9248 0.6347 0.3935 0.0573 -0.0990 0.0775 ? ? ? ? ? ? 1959 LYS A CD +837 N N . TYR A 105 0.6488 0.3193 0.2783 0.0236 -0.0122 0.0545 ? ? ? ? ? ? 1960 TYR A N +838 C CA . TYR A 105 0.6885 0.3442 0.3491 0.0176 0.0165 0.0576 ? ? ? ? ? ? 1960 TYR A CA +839 C C . TYR A 105 0.6848 0.3589 0.3893 0.0160 0.0049 0.0531 ? ? ? ? ? ? 1960 TYR A C +840 O O . TYR A 105 0.6336 0.2832 0.3486 0.0206 0.0217 0.0647 ? ? ? ? ? ? 1960 TYR A O +841 C CB . TYR A 105 0.5946 0.2630 0.2911 0.0007 0.0400 0.0378 ? ? ? ? ? ? 1960 TYR A CB +842 C CG . TYR A 105 0.7147 0.3684 0.4467 -0.0118 0.0761 0.0324 ? ? ? ? ? ? 1960 TYR A CG +843 C CD1 . TYR A 105 0.7521 0.3543 0.4563 -0.0085 0.1148 0.0494 ? ? ? ? ? ? 1960 TYR A CD1 +844 C CD2 . TYR A 105 0.5998 0.2911 0.3913 -0.0290 0.0745 0.0084 ? ? ? ? ? ? 1960 TYR A CD2 +845 C CE1 . TYR A 105 0.7438 0.3271 0.4918 -0.0235 0.1565 0.0405 ? ? ? ? ? ? 1960 TYR A CE1 +846 C CE2 . TYR A 105 0.5860 0.2680 0.4182 -0.0469 0.1098 -0.0069 ? ? ? ? ? ? 1960 TYR A CE2 +847 C CZ . TYR A 105 0.6454 0.2710 0.4622 -0.0449 0.1533 0.0080 ? ? ? ? ? ? 1960 TYR A CZ +848 O OH . TYR A 105 0.7435 0.3555 0.6120 -0.0661 0.1962 -0.0113 ? ? ? ? ? ? 1960 TYR A OH +849 N N . PHE A 106 0.5825 0.2940 0.3116 0.0102 -0.0181 0.0378 ? ? ? ? ? ? 1961 PHE A N +850 C CA . PHE A 106 0.5650 0.2935 0.3274 0.0062 -0.0252 0.0303 ? ? ? ? ? ? 1961 PHE A CA +851 C C . PHE A 106 0.5854 0.2997 0.3458 0.0224 -0.0348 0.0469 ? ? ? ? ? ? 1961 PHE A C +852 O O . PHE A 106 0.5875 0.2884 0.3746 0.0225 -0.0181 0.0481 ? ? ? ? ? ? 1961 PHE A O +853 C CB . PHE A 106 0.5090 0.2744 0.2855 0.0010 -0.0455 0.0188 ? ? ? ? ? ? 1961 PHE A CB +854 C CG . PHE A 106 0.5280 0.3059 0.3262 -0.0026 -0.0492 0.0122 ? ? ? ? ? ? 1961 PHE A CG +855 C CD1 . PHE A 106 0.5238 0.3091 0.3405 -0.0181 -0.0322 -0.0043 ? ? ? ? ? ? 1961 PHE A CD1 +856 C CD2 . PHE A 106 0.5468 0.3292 0.3498 0.0061 -0.0654 0.0173 ? ? ? ? ? ? 1961 PHE A CD2 +857 C CE1 . PHE A 106 0.5019 0.2942 0.3322 -0.0241 -0.0284 -0.0146 ? ? ? ? ? ? 1961 PHE A CE1 +858 C CE2 . PHE A 106 0.5402 0.3303 0.3663 0.0018 -0.0606 0.0100 ? ? ? ? ? ? 1961 PHE A CE2 +859 C CZ . PHE A 106 0.4832 0.2755 0.3182 -0.0128 -0.0408 -0.0052 ? ? ? ? ? ? 1961 PHE A CZ +860 N N . GLU A 107 0.6308 0.3621 0.2885 0.0459 0.0259 0.0233 ? ? ? ? ? ? 1962 GLU A N +861 C CA . GLU A 107 0.6750 0.4314 0.3239 0.0624 -0.0334 0.0085 ? ? ? ? ? ? 1962 GLU A CA +862 C C . GLU A 107 0.7379 0.4337 0.3291 0.0886 -0.0551 0.0185 ? ? ? ? ? ? 1962 GLU A C +863 O O . GLU A 107 0.6771 0.4122 0.3023 0.1097 -0.0960 0.0118 ? ? ? ? ? ? 1962 GLU A O +864 C CB . GLU A 107 0.7188 0.4540 0.3153 0.0495 -0.0596 -0.0018 ? ? ? ? ? ? 1962 GLU A CB +865 C CG . GLU A 107 0.6809 0.4838 0.3519 0.0234 -0.0513 -0.0105 ? ? ? ? ? ? 1962 GLU A CG +866 C CD . GLU A 107 0.6981 0.6326 0.4920 0.0238 -0.0736 -0.0132 ? ? ? ? ? ? 1962 GLU A CD +867 O OE1 . GLU A 107 0.6091 0.5814 0.4258 0.0483 -0.1007 -0.0151 ? ? ? ? ? ? 1962 GLU A OE1 +868 O OE2 . GLU A 107 0.5176 0.5195 0.3870 0.0009 -0.0619 -0.0120 ? ? ? ? ? ? 1962 GLU A OE2 +869 N N . LYS A 108 0.7637 0.3681 0.2755 0.0890 -0.0262 0.0387 ? ? ? ? ? ? 1963 LYS A N +870 C CA . LYS A 108 0.8576 0.4050 0.3225 0.1110 -0.0475 0.0562 ? ? ? ? ? ? 1963 LYS A CA +871 C C . LYS A 108 0.8072 0.3802 0.3489 0.1231 -0.0448 0.0589 ? ? ? ? ? ? 1963 LYS A C +872 O O . LYS A 108 0.8247 0.3966 0.3806 0.1477 -0.0827 0.0566 ? ? ? ? ? ? 1963 LYS A O +873 C CB . LYS A 108 0.8793 0.3647 0.2872 0.1003 -0.0129 0.0707 ? ? ? ? ? ? 1963 LYS A CB +874 C CG . LYS A 108 1.0339 0.4843 0.4077 0.1140 -0.0424 0.0856 ? ? ? ? ? ? 1963 LYS A CG +875 C CD . LYS A 108 1.1386 0.5653 0.5087 0.1061 -0.0046 0.1074 ? ? ? ? ? ? 1963 LYS A CD +876 C CE . LYS A 108 1.2177 0.6085 0.5398 0.1146 -0.0333 0.1280 ? ? ? ? ? ? 1963 LYS A CE +877 N NZ . LYS A 108 1.1147 0.5149 0.4693 0.1335 -0.0849 0.1300 ? ? ? ? ? ? 1963 LYS A NZ +878 N N . LYS A 109 0.7345 0.3249 0.3241 0.1054 -0.0020 0.0649 ? ? ? ? ? ? 1964 LYS A N +879 C CA . LYS A 109 0.7366 0.3481 0.3932 0.1098 -0.0029 0.0626 ? ? ? ? ? ? 1964 LYS A CA +880 C C . LYS A 109 0.6631 0.3560 0.3838 0.1276 -0.0372 0.0276 ? ? ? ? ? ? 1964 LYS A C +881 O O . LYS A 109 0.6881 0.3753 0.4324 0.1508 -0.0595 0.0165 ? ? ? ? ? ? 1964 LYS A O +882 C CB . LYS A 109 0.7077 0.3419 0.4127 0.0798 0.0426 0.0765 ? ? ? ? ? ? 1964 LYS A CB +883 C CG . LYS A 109 0.8109 0.4535 0.5288 0.0552 0.0724 0.0930 ? ? ? ? ? ? 1964 LYS A CG +884 C CD . LYS A 109 0.9384 0.5568 0.6646 0.0563 0.0582 0.1092 ? ? ? ? ? ? 1964 LYS A CD +885 C CE . LYS A 109 0.9305 0.5681 0.6782 0.0378 0.0791 0.1298 ? ? ? ? ? ? 1964 LYS A CE +886 N N . TRP A 110 0.6067 0.3747 0.3576 0.1180 -0.0401 0.0118 ? ? ? ? ? ? 1965 TRP A N +887 C CA . TRP A 110 0.5672 0.4306 0.3863 0.1342 -0.0668 -0.0144 ? ? ? ? ? ? 1965 TRP A CA +888 C C . TRP A 110 0.6376 0.4849 0.4406 0.1710 -0.1118 -0.0185 ? ? ? ? ? ? 1965 TRP A C +889 O O . TRP A 110 0.5958 0.4730 0.4432 0.2002 -0.1264 -0.0350 ? ? ? ? ? ? 1965 TRP A O +890 C CB . TRP A 110 0.5090 0.4529 0.3647 0.1124 -0.0655 -0.0193 ? ? ? ? ? ? 1965 TRP A CB +891 C CG . TRP A 110 0.4299 0.4932 0.3713 0.1227 -0.0812 -0.0377 ? ? ? ? ? ? 1965 TRP A CG +892 C CD1 . TRP A 110 0.4626 0.5917 0.4352 0.1381 -0.1179 -0.0416 ? ? ? ? ? ? 1965 TRP A CD1 +893 C CD2 . TRP A 110 0.3311 0.4671 0.3365 0.1183 -0.0603 -0.0504 ? ? ? ? ? ? 1965 TRP A CD2 +894 N NE1 . TRP A 110 0.3967 0.6381 0.4519 0.1457 -0.1142 -0.0540 ? ? ? ? ? ? 1965 TRP A NE1 +895 C CE2 . TRP A 110 0.2699 0.5174 0.3399 0.1351 -0.0800 -0.0630 ? ? ? ? ? ? 1965 TRP A CE2 +896 C CE3 . TRP A 110 0.2616 0.3817 0.2745 0.0992 -0.0287 -0.0488 ? ? ? ? ? ? 1965 TRP A CE3 +897 C CZ2 . TRP A 110 0.2137 0.5192 0.3242 0.1221 -0.0570 -0.0726 ? ? ? ? ? ? 1965 TRP A CZ2 +898 C CZ3 . TRP A 110 0.2713 0.4802 0.3421 0.0956 -0.0201 -0.0650 ? ? ? ? ? ? 1965 TRP A CZ3 +899 C CH2 . TRP A 110 0.1983 0.4980 0.3112 0.1087 -0.0338 -0.0781 ? ? ? ? ? ? 1965 TRP A CH2 +900 N N . THR A 111 0.6141 0.4106 0.3506 0.1700 -0.1335 -0.0024 ? ? ? ? ? ? 1966 THR A N +901 C CA . THR A 111 0.7745 0.5557 0.4969 0.2002 -0.1809 0.0040 ? ? ? ? ? ? 1966 THR A CA +902 C C . THR A 111 0.7963 0.5077 0.5076 0.2262 -0.1854 0.0125 ? ? ? ? ? ? 1966 THR A C +903 O O . THR A 111 0.8314 0.5646 0.5891 0.2604 -0.2120 0.0047 ? ? ? ? ? ? 1966 THR A O +904 C CB . THR A 111 0.8654 0.5951 0.5009 0.1857 -0.2059 0.0229 ? ? ? ? ? ? 1966 THR A CB +905 O OG1 . THR A 111 0.9338 0.7260 0.5887 0.1634 -0.2144 0.0128 ? ? ? ? ? ? 1966 THR A OG1 +906 C CG2 . THR A 111 0.9783 0.6988 0.6144 0.2047 -0.2481 0.0362 ? ? ? ? ? ? 1966 THR A CG2 +907 N N . ASP A 112 0.8599 0.5261 0.4400 0.2514 0.0300 -0.0040 ? ? ? ? ? ? 1967 ASP A N +908 C CA . ASP A 112 0.9086 0.5111 0.4771 0.2866 0.0345 0.0318 ? ? ? ? ? ? 1967 ASP A CA +909 C C . ASP A 112 0.8628 0.4610 0.5001 0.2906 0.0369 0.0277 ? ? ? ? ? ? 1967 ASP A C +910 O O . ASP A 112 0.9063 0.4738 0.5450 0.3262 0.0298 0.0473 ? ? ? ? ? ? 1967 ASP A O +911 C CB . ASP A 112 0.9629 0.4778 0.4889 0.2765 0.0715 0.0643 ? ? ? ? ? ? 1967 ASP A CB +912 C CG . ASP A 112 1.0945 0.5950 0.5351 0.2767 0.0733 0.0728 ? ? ? ? ? ? 1967 ASP A CG +913 O OD1 . ASP A 112 1.0520 0.6041 0.4594 0.2898 0.0390 0.0611 ? ? ? ? ? ? 1967 ASP A OD1 +914 O OD2 . ASP A 112 1.0768 0.5131 0.4834 0.2611 0.1101 0.0912 ? ? ? ? ? ? 1967 ASP A OD2 +915 N N . THR A 113 0.7881 0.4116 0.4783 0.2510 0.0470 0.0026 ? ? ? ? ? ? 1968 THR A N +916 C CA . THR A 113 0.7523 0.3614 0.4972 0.2435 0.0533 -0.0016 ? ? ? ? ? ? 1968 THR A CA +917 C C . THR A 113 0.7321 0.4150 0.5166 0.2569 0.0290 -0.0364 ? ? ? ? ? ? 1968 THR A C +918 O O . THR A 113 0.8527 0.5188 0.6642 0.2772 0.0298 -0.0353 ? ? ? ? ? ? 1968 THR A O +919 C CB . THR A 113 0.7564 0.3480 0.5379 0.1882 0.0740 -0.0069 ? ? ? ? ? ? 1968 THR A CB +920 O OG1 . THR A 113 0.7213 0.2767 0.4928 0.1671 0.0942 0.0252 ? ? ? ? ? ? 1968 THR A OG1 +921 C CG2 . THR A 113 0.6879 0.2779 0.5231 0.1644 0.0753 -0.0096 ? ? ? ? ? ? 1968 THR A CG2 +922 N N . PHE A 114 0.8377 0.6014 0.6268 0.2459 0.0096 -0.0682 ? ? ? ? ? ? 1969 PHE A N +923 C CA . PHE A 114 0.8504 0.6915 0.6875 0.2521 -0.0093 -0.1052 ? ? ? ? ? ? 1969 PHE A CA +924 C C . PHE A 114 0.9949 0.9019 0.8218 0.2921 -0.0423 -0.1117 ? ? ? ? ? ? 1969 PHE A C +925 O O . PHE A 114 1.0997 1.0486 0.9703 0.3222 -0.0567 -0.1259 ? ? ? ? ? ? 1969 PHE A O +926 C CB . PHE A 114 0.7676 0.6575 0.6352 0.1956 -0.0062 -0.1422 ? ? ? ? ? ? 1969 PHE A CB +927 C CG . PHE A 114 0.6713 0.5018 0.5569 0.1514 0.0187 -0.1346 ? ? ? ? ? ? 1969 PHE A CG +928 C CD1 . PHE A 114 0.7263 0.5269 0.6430 0.1485 0.0302 -0.1373 ? ? ? ? ? ? 1969 PHE A CD1 +929 C CD2 . PHE A 114 0.6371 0.4390 0.5103 0.1115 0.0299 -0.1237 ? ? ? ? ? ? 1969 PHE A CD2 +930 C CE1 . PHE A 114 0.6797 0.4232 0.6082 0.1024 0.0483 -0.1265 ? ? ? ? ? ? 1969 PHE A CE1 +931 C CE2 . PHE A 114 0.6139 0.3633 0.5112 0.0694 0.0469 -0.1117 ? ? ? ? ? ? 1969 PHE A CE2 +932 C CZ . PHE A 114 0.6327 0.3528 0.5544 0.0627 0.0540 -0.1117 ? ? ? ? ? ? 1969 PHE A CZ +933 N N . LYS A 115 1.0908 1.0054 0.8625 0.2910 -0.0540 -0.1009 ? ? ? ? ? ? 1970 LYS A N +934 C CA . LYS A 115 1.1633 1.1367 0.9175 0.3230 -0.0907 -0.1015 ? ? ? ? ? ? 1970 LYS A CA +935 C C . LYS A 115 1.2127 1.1336 0.9346 0.3736 -0.1031 -0.0597 ? ? ? ? ? ? 1970 LYS A C +936 O O . LYS A 115 1.2202 1.1268 0.9847 0.4077 -0.1050 -0.0523 ? ? ? ? ? ? 1970 LYS A O +937 C CB . LYS A 115 1.1242 1.1240 0.8221 0.2942 -0.0995 -0.1088 ? ? ? ? ? ? 1970 LYS A CB +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 SER 1 1856 1856 SER SER A . n +A 1 2 MET 2 1857 1857 MET MET A . n +A 1 3 SER 3 1858 1858 SER SER A . n +A 1 4 VAL 4 1859 1859 VAL VAL A . n +A 1 5 LYS 5 1860 1860 LYS LYS A . n +A 1 6 LYS 6 1861 1861 LYS LYS A . n +A 1 7 PRO 7 1862 1862 PRO PRO A . n +A 1 8 LYS 8 1863 1863 LYS LYS A . n +A 1 9 ARG 9 1864 1864 ARG ARG A . n +A 1 10 ASP 10 1865 1865 ASP ASP A . n +A 1 11 ASP 11 1866 1866 ASP ASP A . n +A 1 12 SER 12 1867 1867 SER SER A . n +A 1 13 LYS 13 1868 1868 LYS LYS A . n +A 1 14 ASP 14 1869 1869 ASP ASP A . n +A 1 15 LEU 15 1870 1870 LEU LEU A . n +A 1 16 ALA 16 1871 1871 ALA ALA A . n +A 1 17 LEU 17 1872 1872 LEU LEU A . n +A 1 18 CYS 18 1873 1873 CYS CYS A . n +A 1 19 SER 19 1874 1874 SER SER A . n +A 1 20 MET 20 1875 1875 MET MET A . n +A 1 21 ILE 21 1876 1876 ILE ILE A . n +A 1 22 LEU 22 1877 1877 LEU LEU A . n +A 1 23 THR 23 1878 1878 THR THR A . n +A 1 24 GLU 24 1879 1879 GLU GLU A . n +A 1 25 MET 25 1880 1880 MET MET A . n +A 1 26 GLU 26 1881 1881 GLU GLU A . n +A 1 27 THR 27 1882 1882 THR THR A . n +A 1 28 HIS 28 1883 1883 HIS HIS A . n +A 1 29 GLU 29 1884 1884 GLU GLU A . n +A 1 30 ASP 30 1885 1885 ASP ASP A . n +A 1 31 ALA 31 1886 1886 ALA ALA A . n +A 1 32 TRP 32 1887 1887 TRP TRP A . n +A 1 33 PRO 33 1888 1888 PRO PRO A . n +A 1 34 PHE 34 1889 1889 PHE PHE A . n +A 1 35 LEU 35 1890 1890 LEU LEU A . n +A 1 36 LEU 36 1891 1891 LEU LEU A . n +A 1 37 PRO 37 1892 1892 PRO PRO A . n +A 1 38 VAL 38 1893 1893 VAL VAL A . n +A 1 39 ASN 39 1894 1894 ASN ASN A . n +A 1 40 LEU 40 1895 1895 LEU LEU A . n +A 1 41 LYS 41 1896 1896 LYS LYS A . n +A 1 42 LEU 42 1897 1897 LEU LEU A . n +A 1 43 VAL 43 1898 1898 VAL VAL A . n +A 1 44 PRO 44 1899 1899 PRO PRO A . n +A 1 45 GLY 45 1900 1900 GLY GLY A . n +A 1 46 TYR 46 1901 1901 TYR TYR A . n +A 1 47 LYS 47 1902 1902 LYS LYS A . n +A 1 48 LYS 48 1903 1903 LYS LYS A . n +A 1 49 VAL 49 1904 1904 VAL VAL A . n +A 1 50 ILE 50 1905 1905 ILE ILE A . n +A 1 51 LYS 51 1906 1906 LYS LYS A . n +A 1 52 LYS 52 1907 1907 LYS LYS A . n +A 1 53 PRO 53 1908 1908 PRO PRO A . n +A 1 54 MET 54 1909 1909 MET MET A . n +A 1 55 ASP 55 1910 1910 ASP ASP A . n +A 1 56 PHE 56 1911 1911 PHE PHE A . n +A 1 57 SER 57 1912 1912 SER SER A . n +A 1 58 THR 58 1913 1913 THR THR A . n +A 1 59 ILE 59 1914 1914 ILE ILE A . n +A 1 60 ARG 60 1915 1915 ARG ARG A . n +A 1 61 GLU 61 1916 1916 GLU GLU A . n +A 1 62 LYS 62 1917 1917 LYS LYS A . n +A 1 63 LEU 63 1918 1918 LEU LEU A . n +A 1 64 SER 64 1919 1919 SER SER A . n +A 1 65 SER 65 1920 1920 SER SER A . n +A 1 66 GLY 66 1921 1921 GLY GLY A . n +A 1 67 GLN 67 1922 1922 GLN GLN A . n +A 1 68 TYR 68 1923 1923 TYR TYR A . n +A 1 69 PRO 69 1924 1924 PRO PRO A . n +A 1 70 ASN 70 1925 1925 ASN ASN A . n +A 1 71 LEU 71 1926 1926 LEU LEU A . n +A 1 72 GLU 72 1927 1927 GLU GLU A . n +A 1 73 THR 73 1928 1928 THR THR A . n +A 1 74 PHE 74 1929 1929 PHE PHE A . n +A 1 75 ALA 75 1930 1930 ALA ALA A . n +A 1 76 LEU 76 1931 1931 LEU LEU A . n +A 1 77 ASP 77 1932 1932 ASP ASP A . n +A 1 78 VAL 78 1933 1933 VAL VAL A . n +A 1 79 ARG 79 1934 1934 ARG ARG A . n +A 1 80 LEU 80 1935 1935 LEU LEU A . n +A 1 81 VAL 81 1936 1936 VAL VAL A . n +A 1 82 PHE 82 1937 1937 PHE PHE A . n +A 1 83 ASP 83 1938 1938 ASP ASP A . n +A 1 84 ASN 84 1939 1939 ASN ASN A . n +A 1 85 CYS 85 1940 1940 CYS CYS A . n +A 1 86 GLU 86 1941 1941 GLU GLU A . n +A 1 87 THR 87 1942 1942 THR THR A . n +A 1 88 PHE 88 1943 1943 PHE PHE A . n +A 1 89 ASN 89 1944 1944 ASN ASN A . n +A 1 90 GLU 90 1945 1945 GLU GLU A . n +A 1 91 ASP 91 1946 1946 ASP ASP A . n +A 1 92 ASP 92 1947 1947 ASP ASP A . n +A 1 93 SER 93 1948 1948 SER SER A . n +A 1 94 ASP 94 1949 1949 ASP ASP A . n +A 1 95 ILE 95 1950 1950 ILE ILE A . n +A 1 96 GLY 96 1951 1951 GLY GLY A . n +A 1 97 ARG 97 1952 1952 ARG ARG A . n +A 1 98 ALA 98 1953 1953 ALA ALA A . n +A 1 99 GLY 99 1954 1954 GLY GLY A . n +A 1 100 HIS 100 1955 1955 HIS HIS A . n +A 1 101 ASN 101 1956 1956 ASN ASN A . n +A 1 102 MET 102 1957 1957 MET MET A . n +A 1 103 ARG 103 1958 1958 ARG ARG A . n +A 1 104 LYS 104 1959 1959 LYS LYS A . n +A 1 105 TYR 105 1960 1960 TYR TYR A . n +A 1 106 PHE 106 1961 1961 PHE PHE A . n +A 1 107 GLU 107 1962 1962 GLU GLU A . n +A 1 108 LYS 108 1963 1963 LYS LYS A . n +A 1 109 LYS 109 1964 1964 LYS LYS A . n +A 1 110 TRP 110 1965 1965 TRP TRP A . n +A 1 111 THR 111 1966 1966 THR THR A . n +A 1 112 ASP 112 1967 1967 ASP ASP A . n +A 1 113 THR 113 1968 1968 THR THR A . n +A 1 114 PHE 114 1969 1969 PHE PHE A . n +A 1 115 LYS 115 1970 1970 LYS LYS A . n +A 1 116 VAL 116 1971 ? ? ? A . n +A 1 117 SER 117 1972 ? ? ? A . n +# +loop_ +_pdbx_refine_tls.pdbx_refine_id +_pdbx_refine_tls.id +_pdbx_refine_tls.details +_pdbx_refine_tls.method +_pdbx_refine_tls.origin_x +_pdbx_refine_tls.origin_y +_pdbx_refine_tls.origin_z +_pdbx_refine_tls.T[1][1] +_pdbx_refine_tls.T[2][2] +_pdbx_refine_tls.T[3][3] +_pdbx_refine_tls.T[1][2] +_pdbx_refine_tls.T[1][3] +_pdbx_refine_tls.T[2][3] +_pdbx_refine_tls.L[1][1] +_pdbx_refine_tls.L[2][2] +_pdbx_refine_tls.L[3][3] +_pdbx_refine_tls.L[1][2] +_pdbx_refine_tls.L[1][3] +_pdbx_refine_tls.L[2][3] +_pdbx_refine_tls.S[1][1] +_pdbx_refine_tls.S[1][2] +_pdbx_refine_tls.S[1][3] +_pdbx_refine_tls.S[2][1] +_pdbx_refine_tls.S[2][2] +_pdbx_refine_tls.S[2][3] +_pdbx_refine_tls.S[3][1] +_pdbx_refine_tls.S[3][2] +_pdbx_refine_tls.S[3][3] +'X-RAY DIFFRACTION' 1 ? refined 51.7028 17.1821 14.0205 0.5031 0.3420 0.2895 -0.0671 0.0101 0.0176 5.7992 3.5258 6.0477 3.2401 +2.5199 1.0981 -0.1168 -0.2207 -0.2330 -0.5495 0.0610 -0.3682 0.0226 -0.7649 0.0478 +'X-RAY DIFFRACTION' 2 ? refined 42.4520 13.1926 21.0656 0.4230 0.6859 0.6532 0.0898 -0.0825 0.3308 4.0626 3.8144 6.1364 -2.3137 +-4.9969 3.1409 -1.3114 -0.2286 0.6970 0.3171 0.9615 0.6816 -0.3104 -0.3295 0.3944 +'X-RAY DIFFRACTION' 3 ? refined 30.9297 10.9717 20.1215 0.6035 0.4343 0.6338 0.1338 0.1929 0.0564 4.8720 3.6220 8.1344 3.1681 +-1.7368 2.2974 -0.5739 -0.1423 -2.0455 -1.0255 -0.4365 -1.5901 1.2374 1.0387 1.0343 +'X-RAY DIFFRACTION' 4 ? refined 24.9736 15.8473 22.3096 0.5504 0.2498 0.3584 0.0361 -0.0383 -0.0065 7.0249 3.3900 5.0728 -2.8125 +-3.8763 4.1012 -0.1369 0.1165 -0.6617 0.3502 -0.1947 0.0007 -0.1270 0.1826 0.2831 +'X-RAY DIFFRACTION' 5 ? refined 19.8248 18.4657 26.3083 0.5076 0.2863 0.3932 0.0095 -0.0044 0.0375 2.1489 2.1690 2.2850 -0.0077 +-1.3098 1.8074 -0.0188 -0.3145 -1.0586 0.7185 -0.1463 -0.1241 0.3930 -0.1897 0.1294 +'X-RAY DIFFRACTION' 6 ? refined 16.5283 22.0022 29.2251 0.4324 0.2186 0.3336 -0.0452 0.0328 0.0454 2.4656 2.5873 2.0098 -2.1360 +-0.4599 1.4935 -0.4931 0.1661 -0.8137 0.1552 -0.0212 -0.0001 1.0938 -0.2369 0.5633 +'X-RAY DIFFRACTION' 7 ? refined 12.0584 25.3550 35.2106 0.4467 0.3712 0.3756 -0.0106 0.0959 0.0082 4.7862 2.5992 3.6907 3.4538 +4.1960 2.9932 -0.1064 -0.4934 -0.2901 1.7150 -0.4447 1.3036 0.9397 -0.7725 0.5716 +'X-RAY DIFFRACTION' 8 ? refined 12.2558 32.3038 28.3473 0.4360 0.2224 0.2301 0.0152 -0.0008 -0.0103 5.3004 2.4000 4.3745 0.1590 +-1.0980 -3.1474 -0.2325 -0.1494 0.1781 0.1259 0.1722 0.4258 0.3504 -0.1263 0.1180 +'X-RAY DIFFRACTION' 9 ? refined 11.5957 42.8738 20.2128 0.6552 0.2868 0.5332 0.0442 -0.1285 0.0101 6.0673 3.4729 3.8865 0.1395 +-4.5955 1.0862 0.7227 0.6985 0.2798 -1.2197 -0.3470 1.8211 -0.5498 -0.5622 -0.3211 +'X-RAY DIFFRACTION' 10 ? refined 16.3571 46.5450 23.5539 0.6036 0.2413 0.3569 0.0195 -0.0108 -0.0286 6.9735 5.2432 2.7354 3.1230 +-1.1141 0.6592 -0.1130 0.1813 0.2376 -0.4285 0.0510 0.6625 -0.2049 0.0641 0.0605 +'X-RAY DIFFRACTION' 11 ? refined 23.6802 41.1211 21.8391 0.5657 0.2720 0.3311 0.0137 0.0586 -0.0140 4.1251 4.0476 5.3170 -4.0621 +-4.6203 4.6329 0.5135 0.3499 0.8601 -1.4383 0.0666 -1.1686 0.0655 0.8293 -0.6056 +'X-RAY DIFFRACTION' 12 ? refined 18.4353 27.5606 20.0883 0.3986 0.2077 0.1894 0.0090 -0.0497 0.0046 6.0865 7.5463 9.7191 -1.8657 +-3.0431 -0.7044 0.1115 0.5094 -0.0441 -0.4900 -0.0858 0.0693 -0.3356 -0.2682 -0.0162 +'X-RAY DIFFRACTION' 13 ? refined 24.4900 23.9184 14.6960 0.6220 0.3324 0.2481 0.0078 -0.0132 -0.0121 5.1692 4.8504 2.0828 0.9603 +1.6702 -0.5802 -0.0147 -0.0525 -0.0270 -0.8332 -0.1793 0.0751 0.1942 0.3749 0.1700 +'X-RAY DIFFRACTION' 14 ? refined 31.2758 23.4917 21.2425 0.4733 0.4321 0.3634 0.0615 -0.0186 -0.0631 2.8833 3.2327 3.2546 -1.1102 +1.3483 2.1959 -0.4924 -0.2820 -0.2985 1.0556 1.4267 -1.0819 0.1691 0.9400 -0.9175 +'X-RAY DIFFRACTION' 15 ? refined 26.8945 27.5460 23.7543 0.4822 0.2508 0.1870 -0.0216 0.0094 -0.0124 8.0179 7.1898 8.3202 -5.8089 +-6.6000 3.1255 -0.1503 0.0185 0.1006 -0.5472 -0.0187 -0.1842 -0.5116 0.1461 0.1819 +'X-RAY DIFFRACTION' 16 ? refined 22.7495 36.5039 30.4054 0.4434 0.2548 0.2240 -0.0050 -0.0107 0.0143 2.6955 9.8561 3.7702 -3.5102 +-2.0328 4.8267 0.1136 -0.0208 0.1876 0.2430 -0.0417 -0.2487 -0.0826 0.1457 -0.0535 +'X-RAY DIFFRACTION' 17 ? refined 17.2344 37.4881 39.5019 0.6457 0.2743 0.2348 0.0444 -0.0230 -0.0001 5.3185 6.4588 5.7668 1.0649 +-2.5329 1.0621 -0.1798 -0.3139 0.0723 1.0978 0.2017 0.2587 -0.1173 0.2469 -0.1121 +'X-RAY DIFFRACTION' 18 ? refined 22.2045 26.2103 34.8182 0.5133 0.2435 0.2278 0.0105 -0.0345 0.0298 9.3593 8.2893 4.5231 0.5053 +-4.8951 1.0187 -0.2980 -0.3294 -0.3719 0.9189 0.0026 0.2408 0.3713 0.0019 0.3063 +'X-RAY DIFFRACTION' 19 ? refined 27.2243 20.7729 33.5863 0.5648 0.3303 0.2710 0.1217 -0.0692 0.0099 7.3775 6.7995 4.6886 0.9350 +1.6224 -4.7865 0.1544 -0.1645 -0.6502 1.8910 0.2371 -0.4276 0.7722 1.0419 -0.1655 +'X-RAY DIFFRACTION' 20 ? refined 29.3472 15.6284 31.7260 0.7479 0.4722 0.4878 0.2564 0.0149 -0.0419 2.6405 5.7804 2.6468 3.8115 +0.0362 -0.6806 -0.3472 -0.9397 -0.9159 1.2543 0.7286 -0.3107 0.8458 1.6357 -0.4624 +# +loop_ +_pdbx_refine_tls_group.pdbx_refine_id +_pdbx_refine_tls_group.id +_pdbx_refine_tls_group.refine_tls_id +_pdbx_refine_tls_group.beg_auth_asym_id +_pdbx_refine_tls_group.beg_auth_seq_id +_pdbx_refine_tls_group.beg_label_asym_id +_pdbx_refine_tls_group.beg_label_seq_id +_pdbx_refine_tls_group.end_auth_asym_id +_pdbx_refine_tls_group.end_auth_seq_id +_pdbx_refine_tls_group.end_label_asym_id +_pdbx_refine_tls_group.end_label_seq_id +_pdbx_refine_tls_group.selection +_pdbx_refine_tls_group.selection_details +'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1856:1859)' +'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1860:1864)' +'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1865:1868)' +'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1869:1873)' +'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1874:1877)' +'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1878:1881)' +'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1882:1885)' +'X-RAY DIFFRACTION' 8 8 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1886:1892)' +'X-RAY DIFFRACTION' 9 9 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1893:1896)' +'X-RAY DIFFRACTION' 10 10 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1897:1904)' +'X-RAY DIFFRACTION' 11 11 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1905:1908)' +'X-RAY DIFFRACTION' 12 12 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1909:1918)' +'X-RAY DIFFRACTION' 13 13 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1919:1924)' +'X-RAY DIFFRACTION' 14 14 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1925:1928)' +'X-RAY DIFFRACTION' 15 15 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1929:1932)' +'X-RAY DIFFRACTION' 16 16 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1933:1944)' +'X-RAY DIFFRACTION' 17 17 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1945:1956)' +'X-RAY DIFFRACTION' 18 18 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1957:1961)' +'X-RAY DIFFRACTION' 19 19 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1962:1966)' +'X-RAY DIFFRACTION' 20 20 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 1967:1970)' +# +_software.name PHENIX +_software.classification refinement +_software.version '(PHENIX.REFINE)' +_software.citation_id ? +_software.pdbx_ordinal 1 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +1 Y 1 1 A VAL 1971 ? +2 Y 1 1 A SER 1972 ? +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +1 Y 1 1 A LYS 1863 ? CG ? +2 Y 1 1 A LYS 1863 ? CD ? +3 Y 1 1 A LYS 1863 ? CE ? +4 Y 1 1 A LYS 1863 ? NZ ? +5 Y 1 1 A LYS 1868 ? CE ? +6 Y 1 1 A LYS 1868 ? NZ ? +7 Y 1 1 A GLU 1927 ? CD ? +8 Y 1 1 A GLU 1927 ? OE1 ? +9 Y 1 1 A GLU 1927 ? OE2 ? +10 Y 1 1 A LYS 1959 ? CE ? +11 Y 1 1 A LYS 1959 ? NZ ? +12 Y 1 1 A LYS 1964 ? NZ ? +13 Y 1 1 A LYS 1970 ? CG ? +14 Y 1 1 A LYS 1970 ? CD ? +15 Y 1 1 A LYS 1970 ? CE ? +16 Y 1 1 A LYS 1970 ? NZ ? +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.method_details PISA +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 2050 ? +1 'SSA (A^2)' 14260 ? +1 MORE -16.8 ? +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +2 'crystal symmetry operation' 3_655 -x+1,y,-z+1/2 -1.0000000000 0.0000000000 0.0000000000 80.3700000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 28.8350000000 +# +_pdbx_version.entry_id 4CUP +_pdbx_version.revision_date 2014-04-02 +_pdbx_version.major_version 4 +_pdbx_version.minor_version 0000 +_pdbx_version.revision_type 'Initial release' +_pdbx_version.details 'Entry released' +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 ZYB 1 2971 2971 ZYB ZYB A . +C 3 MOH 1 2972 2972 MOH MOH A . +D 3 MOH 1 2973 2973 MOH MOH A . +E 3 MOH 1 2974 2974 MOH MOH A . +F 4 HOH 1 2001 2001 HOH HOH A . +F 4 HOH 2 2002 2002 HOH HOH A . +F 4 HOH 3 2003 2003 HOH HOH A . +F 4 HOH 4 2004 2004 HOH HOH A . +F 4 HOH 5 2005 2005 HOH HOH A . +F 4 HOH 6 2006 2006 HOH HOH A . +F 4 HOH 7 2007 2007 HOH HOH A . +F 4 HOH 8 2008 2008 HOH HOH A . +F 4 HOH 9 2009 2009 HOH HOH A . +F 4 HOH 10 2010 2010 HOH HOH A . +F 4 HOH 11 2011 2011 HOH HOH A . +F 4 HOH 12 2012 2012 HOH HOH A . +F 4 HOH 13 2013 2013 HOH HOH A . +F 4 HOH 14 2014 2014 HOH HOH A . +F 4 HOH 15 2015 2015 HOH HOH A . +F 4 HOH 16 2016 2016 HOH HOH A . +F 4 HOH 17 2017 2017 HOH HOH A . +F 4 HOH 18 2018 2018 HOH HOH A . +F 4 HOH 19 2019 2019 HOH HOH A . +F 4 HOH 20 2020 2020 HOH HOH A . +F 4 HOH 21 2021 2021 HOH HOH A . +F 4 HOH 22 2022 2022 HOH HOH A . +F 4 HOH 23 2023 2023 HOH HOH A . +F 4 HOH 24 2024 2024 HOH HOH A . +F 4 HOH 25 2025 2025 HOH HOH A . +F 4 HOH 26 2026 2026 HOH HOH A . +F 4 HOH 27 2027 2027 HOH HOH A . +F 4 HOH 28 2028 2028 HOH HOH A . +F 4 HOH 29 2029 2029 HOH HOH A . +F 4 HOH 30 2030 2030 HOH HOH A . +F 4 HOH 31 2031 2031 HOH HOH A . +F 4 HOH 32 2032 2032 HOH HOH A . +F 4 HOH 33 2033 2033 HOH HOH A . +F 4 HOH 34 2034 2034 HOH HOH A . +F 4 HOH 35 2035 2035 HOH HOH A . +F 4 HOH 36 2036 2036 HOH HOH A . +F 4 HOH 37 2037 2037 HOH HOH A . +F 4 HOH 38 2038 2038 HOH HOH A . +F 4 HOH 39 2039 2039 HOH HOH A . +F 4 HOH 40 2040 2040 HOH HOH A . +F 4 HOH 41 2041 2041 HOH HOH A . +F 4 HOH 42 2042 2042 HOH HOH A . +F 4 HOH 43 2043 2043 HOH HOH A . +F 4 HOH 44 2044 2044 HOH HOH A . +F 4 HOH 45 2045 2045 HOH HOH A . +F 4 HOH 46 2046 2046 HOH HOH A . +F 4 HOH 47 2047 2047 HOH HOH A . +F 4 HOH 48 2048 2048 HOH HOH A . +F 4 HOH 49 2049 2049 HOH HOH A . +F 4 HOH 50 2050 2050 HOH HOH A . +F 4 HOH 51 2051 2051 HOH HOH A . +F 4 HOH 52 2052 2052 HOH HOH A . +F 4 HOH 53 2053 2053 HOH HOH A . +F 4 HOH 54 2054 2054 HOH HOH A . +F 4 HOH 55 2055 2055 HOH HOH A . +F 4 HOH 56 2056 2056 HOH HOH A . +F 4 HOH 57 2057 2057 HOH HOH A . +F 4 HOH 58 2058 2058 HOH HOH A . +F 4 HOH 59 2059 2059 HOH HOH A . +F 4 HOH 60 2060 2060 HOH HOH A . +F 4 HOH 61 2061 2061 HOH HOH A . +F 4 HOH 62 2062 2062 HOH HOH A . +F 4 HOH 63 2063 2063 HOH HOH A . +F 4 HOH 64 2064 2064 HOH HOH A . +F 4 HOH 65 2065 2065 HOH HOH A . +F 4 HOH 66 2066 2066 HOH HOH A . +F 4 HOH 67 2067 2067 HOH HOH A . +F 4 HOH 68 2068 2068 HOH HOH A . +F 4 HOH 69 2069 2069 HOH HOH A . +F 4 HOH 70 2070 2070 HOH HOH A . +F 4 HOH 71 2071 2071 HOH HOH A . +F 4 HOH 72 2072 2072 HOH HOH A . +F 4 HOH 73 2073 2073 HOH HOH A . +F 4 HOH 74 2074 2074 HOH HOH A . +F 4 HOH 75 2075 2075 HOH HOH A . +F 4 HOH 76 2076 2076 HOH HOH A . +F 4 HOH 77 2077 2077 HOH HOH A . +F 4 HOH 78 2078 2078 HOH HOH A . +F 4 HOH 79 2079 2079 HOH HOH A . +F 4 HOH 80 2080 2080 HOH HOH A . +F 4 HOH 81 2081 2081 HOH HOH A . +F 4 HOH 82 2082 2082 HOH HOH A . +F 4 HOH 83 2083 2083 HOH HOH A . +F 4 HOH 84 2084 2084 HOH HOH A . +F 4 HOH 85 2085 2085 HOH HOH A . +F 4 HOH 86 2086 2086 HOH HOH A . +F 4 HOH 87 2087 2087 HOH HOH A . +F 4 HOH 88 2088 2088 HOH HOH A . +F 4 HOH 89 2089 2089 HOH HOH A . +F 4 HOH 90 2090 2090 HOH HOH A . +F 4 HOH 91 2091 2091 HOH HOH A . +F 4 HOH 92 2092 2092 HOH HOH A . +F 4 HOH 93 2093 2093 HOH HOH A . +F 4 HOH 94 2094 2094 HOH HOH A . +F 4 HOH 95 2095 2095 HOH HOH A . +F 4 HOH 96 2096 2096 HOH HOH A . +F 4 HOH 97 2097 2097 HOH HOH A . +F 4 HOH 98 2098 2098 HOH HOH A . +F 4 HOH 99 2099 2099 HOH HOH A . +F 4 HOH 100 2100 2100 HOH HOH A . +F 4 HOH 101 2101 2101 HOH HOH A . +F 4 HOH 102 2102 2102 HOH HOH A . +F 4 HOH 103 2103 2103 HOH HOH A . +F 4 HOH 104 2104 2104 HOH HOH A . +F 4 HOH 105 2105 2105 HOH HOH A . +F 4 HOH 106 2106 2106 HOH HOH A . +F 4 HOH 107 2107 2107 HOH HOH A . +F 4 HOH 108 2108 2108 HOH HOH A . +F 4 HOH 109 2109 2109 HOH HOH A . +F 4 HOH 110 2110 2110 HOH HOH A . +F 4 HOH 111 2111 2111 HOH HOH A . +F 4 HOH 112 2112 2112 HOH HOH A . +F 4 HOH 113 2113 2113 HOH HOH A . +F 4 HOH 114 2114 2114 HOH HOH A . +F 4 HOH 115 2115 2115 HOH HOH A . +F 4 HOH 116 2116 2116 HOH HOH A . +F 4 HOH 117 2117 2117 HOH HOH A . +F 4 HOH 118 2118 2118 HOH HOH A . +F 4 HOH 119 2119 2119 HOH HOH A . +F 4 HOH 120 2120 2120 HOH HOH A . +F 4 HOH 121 2121 2121 HOH HOH A . +F 4 HOH 122 2122 2122 HOH HOH A . +F 4 HOH 123 2123 2123 HOH HOH A . +F 4 HOH 124 2124 2124 HOH HOH A . +F 4 HOH 125 2125 2125 HOH HOH A . +F 4 HOH 126 2126 2126 HOH HOH A . +F 4 HOH 127 2127 2127 HOH HOH A . +F 4 HOH 128 2128 2128 HOH HOH A . +F 4 HOH 129 2129 2129 HOH HOH A . +F 4 HOH 130 2130 2130 HOH HOH A . +F 4 HOH 131 2131 2131 HOH HOH A . +F 4 HOH 132 2132 2132 HOH HOH A . +F 4 HOH 133 2133 2133 HOH HOH A . +F 4 HOH 134 2134 2134 HOH HOH A . +F 4 HOH 135 2135 2135 HOH HOH A . +F 4 HOH 136 2136 2136 HOH HOH A . +F 4 HOH 137 2137 2137 HOH HOH A . +F 4 HOH 138 2138 2138 HOH HOH A . +F 4 HOH 139 2139 2139 HOH HOH A . +F 4 HOH 140 2140 2140 HOH HOH A . +F 4 HOH 141 2141 2141 HOH HOH A . +F 4 HOH 142 2142 2142 HOH HOH A . +F 4 HOH 143 2143 2143 HOH HOH A . +F 4 HOH 144 2144 2144 HOH HOH A . +F 4 HOH 145 2145 2145 HOH HOH A . +F 4 HOH 146 2146 2146 HOH HOH A . +# +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.PDB_model_num +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.PDB_ins_code_1 +_pdbx_validate_close_contact.label_alt_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.PDB_ins_code_2 +_pdbx_validate_close_contact.label_alt_id_2 +_pdbx_validate_close_contact.dist +1 1 O A HOH 2025 ? ? O A HOH 2026 ? ? 2.16 +2 1 O A HOH 2021 ? ? O A HOH 2025 ? ? 2.17 +3 1 O A HOH 2031 ? ? O A HOH 2137 ? ? 2.18 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 4-FLUOROBENZAMIDOXIME ZYB +3 METHANOL MOH +4 water HOH +# From d3fcbc1e66d0dda0363196e5072066c2b400ec14 Mon Sep 17 00:00:00 2001 From: Aleix Lafita Date: Fri, 30 Jun 2017 12:02:28 -0700 Subject: [PATCH 002/821] Remove the warnings in MMTF reader --- .../io/mmtf/MmtfStructureReader.java | 23 ++++++++++--------- 1 file changed, 12 insertions(+), 11 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java index 7eb07e806a..8b74ea3993 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java @@ -304,14 +304,15 @@ public void setAtomInfo(String atomName, * face#setGroupBonds(int, int, int) */ @Override - public void setGroupBond(int indOne, - int indTwo, int bondOrder) { - // Get the atom + public void setGroupBond(int indOne, int indTwo, int bondOrder) { + + // Get the atoms Atom atomOne = atomsInGroup.get(indOne); Atom atomTwo = atomsInGroup.get(indTwo); + // set the new bond - @SuppressWarnings("unused") - BondImpl bond = new BondImpl(atomOne, atomTwo, bondOrder); + new BondImpl(atomOne, atomTwo, bondOrder); + } /* (non-Javadoc) @@ -319,14 +320,14 @@ public void setGroupBond(int indOne, * Interface#setInterGroupBonds(int, int, int) */ @Override - public void setInterGroupBond(int indOne, - int indTwo, int bondOrder) { - // Get the atom + public void setInterGroupBond(int indOne, int indTwo, int bondOrder) { + + // Get the atoms Atom atomOne = allAtoms[indOne]; Atom atomTwo = allAtoms[indTwo]; - // set the new bond - @SuppressWarnings("unused") - BondImpl bond = new BondImpl(atomOne, atomTwo, bondOrder); + + // set the new bond (this + new BondImpl(atomOne, atomTwo, bondOrder); } From c6dddfd9b3c228ea7b8c4f8dfd36b0b09a48384c Mon Sep 17 00:00:00 2001 From: Aleix Lafita Date: Thu, 6 Jul 2017 15:09:13 +0100 Subject: [PATCH 003/821] Fix path bug in mmtf test --- .../nbio/structure/io/mmtf/MmtfUtils.java | 4 ++++ .../io/mmtf/TestMmtfStructureReader.java | 22 ++++++++++++++----- 2 files changed, 21 insertions(+), 5 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index 929a5db4b8..8e14f7d1db 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -479,9 +479,12 @@ public static void insertSeqResGroup(Chain chain, Group group, int sequenceIndex * @param sequence the sequence of the construct */ public static void addSeqRes(Chain modelChain, String sequence) { + List seqResGroups = modelChain.getSeqResGroups(); GroupType chainType = getChainType(modelChain.getAtomGroups()); + for(int i=0; i Date: Fri, 12 Apr 2019 03:43:15 -0400 Subject: [PATCH 004/821] Update UniprotProxySequenceReader.java 2 fixes: 1. Full Uniprot downloads contain spaces in some sequences, which cause a crash in setContents because space isn't a valid compound. I added a replaceAll to strip out the whitespace. 2. Apparently a shortName element can be repeated. In both cases where we can encounter a shortName element, get the list (perhaps of length 0 or 1) and iterate over each shortName instead of just grabbing the first one. --- .../loader/UniprotProxySequenceReader.java | 26 +++++++++++-------- 1 file changed, 15 insertions(+), 11 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java index 2562898bf1..2f6e60b1b9 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java @@ -114,7 +114,7 @@ public UniprotProxySequenceReader(String accession, CompoundSet compoundSet) public UniprotProxySequenceReader(Document document, CompoundSet compoundSet) throws CompoundNotFoundException { setCompoundSet(compoundSet); uniprotDoc = document; - String seq = this.getSequence(uniprotDoc); + String seq = this.getSequence(uniprotDoc).replaceAll("\\s",""); setContents(seq); } /** @@ -385,11 +385,13 @@ public ArrayList getProteinAliases() throws XPathExpressionException { for (Element element : keyWordElementList) { Element fullNameElement = XMLHelper.selectSingleElement(element, "fullName"); aliasList.add(fullNameElement.getTextContent()); - Element shortNameElement = XMLHelper.selectSingleElement(element, "shortName"); - if(null != shortNameElement) { - String shortName = shortNameElement.getTextContent(); - if(null != shortName && !shortName.trim().isEmpty()) { - aliasList.add(shortName); + ArrayList shortNameElements = XMLHelper.selectElements(element, "shortName"); + for(Element shortNameElement : shortNameElements) { + if(null != shortNameElement) { + String shortName = shortNameElement.getTextContent(); + if(null != shortName && !shortName.trim().isEmpty()) { + aliasList.add(shortName); + } } } } @@ -397,11 +399,13 @@ public ArrayList getProteinAliases() throws XPathExpressionException { for (Element element : keyWordElementList) { Element fullNameElement = XMLHelper.selectSingleElement(element, "fullName"); aliasList.add(fullNameElement.getTextContent()); - Element shortNameElement = XMLHelper.selectSingleElement(element, "shortName"); - if(null != shortNameElement) { - String shortName = shortNameElement.getTextContent(); - if(null != shortName && !shortName.trim().isEmpty()) { - aliasList.add(shortName); + ArrayList shortNameElements = XMLHelper.selectElements(element, "shortName"); + for(Element shortNameElement : shortNameElements) { + if(null != shortNameElement) { + String shortName = shortNameElement.getTextContent(); + if(null != shortName && !shortName.trim().isEmpty()) { + aliasList.add(shortName); + } } } } From 2cc65e1f498ed3d16a52279e6909abdb883af500 Mon Sep 17 00:00:00 2001 From: emckee2006 Date: Fri, 12 Apr 2019 23:49:09 -0400 Subject: [PATCH 005/821] Update UniprotProxySequenceReader.java Added some comments to document the changes --- .../core/sequence/loader/UniprotProxySequenceReader.java | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java index 2f6e60b1b9..777bd612d1 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java @@ -106,6 +106,8 @@ public UniprotProxySequenceReader(String accession, CompoundSet compoundSet) /** * The xml is passed in as a DOM object so we know everything about the protein. + * Some uniprot records contain white space in the sequence. We must strip it out so setContents doesn't fail. + * TODO add simmilar logic to the other constructors * If an error occurs throw an exception. We could have a bad uniprot id * @param document * @param compoundSet @@ -149,6 +151,7 @@ public void setCompoundSet(CompoundSet compoundSet) { public void setContents(String sequence) throws CompoundNotFoundException { // Horrendously inefficient - pretty much the way the old BJ did things. // TODO Should be optimised. + // NOTE This chokes on whitespace in the sequence, so whitespace is stripped by the caller this.sequence = sequence; this.parsedCompounds.clear(); for (int i = 0; i < sequence.length();) { @@ -381,6 +384,7 @@ public ArrayList getProteinAliases() throws XPathExpressionException { Element uniprotElement = uniprotDoc.getDocumentElement(); Element entryElement = XMLHelper.selectSingleElement(uniprotElement, "entry"); Element proteinElement = XMLHelper.selectSingleElement(entryElement, "protein"); + // An alternativeName can contain multiple fullNames and multiple shortNames, so we are careful to catch them all ArrayList keyWordElementList = XMLHelper.selectElements(proteinElement, "alternativeName"); for (Element element : keyWordElementList) { Element fullNameElement = XMLHelper.selectSingleElement(element, "fullName"); @@ -395,6 +399,7 @@ public ArrayList getProteinAliases() throws XPathExpressionException { } } } + // recommendedName seems to allow only one fullName, to be on the safe side, we double check for multiple shortNames for the recommendedName keyWordElementList = XMLHelper.selectElements(proteinElement, "recommendedName"); for (Element element : keyWordElementList) { Element fullNameElement = XMLHelper.selectSingleElement(element, "fullName"); From c1f2b86083c003949ab2d8e28100025528d7130f Mon Sep 17 00:00:00 2001 From: James Morris Date: Tue, 16 Apr 2019 12:19:49 +0100 Subject: [PATCH 006/821] Update GenbankSequenceParser.java Relaxed the locus line pattern to allow lowercase units, strands, and topology. Also removed a requirement for whitespace characters after the molecule type allowing for shorter locus lines containing just " ". These changes make the genbank parser behave in the same way a the legacy genbank parser solving issue #833 --- .../nbio/core/sequence/io/GenbankSequenceParser.java | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 86bfae9001..2b79efdbef 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -109,7 +109,7 @@ public class GenbankSequenceParser, C extends Comp protected static final String START_SEQUENCE_TAG = "ORIGIN"; protected static final String END_SEQUENCE_TAG = "//"; // locus line - protected static final Pattern lp = Pattern.compile("^(\\S+)\\s+\\d+\\s+(bp|aa)\\s{1,4}(([dms]s-)?(\\S+))?\\s+(circular|linear)?\\s*(\\S+)?\\s*(\\S+)?$"); + protected static final Pattern lp = Pattern.compile("^(\\S+)\\s+\\d+\\s+(bp|BP|aa|AA)\\s{0,4}(([dmsDMS][sS]-)?(\\S+))?\\s*(circular|CIRCULAR|linear|LINEAR)?\\s*(\\S+)?\\s*(\\S+)?$"); // version line protected static final Pattern vp = Pattern.compile("^(\\S*?)(\\.(\\d+))?(\\s+GI:(\\S+))?$"); // reference line @@ -164,9 +164,9 @@ private String parse(BufferedReader bufferedReader) { String lengthUnits = m.group(2); String type = m.group(5); - if (lengthUnits.equals("aa")) { + if (lengthUnits..equalsIgnoreCase("aa")) { compoundType = AminoAcidCompoundSet.getAminoAcidCompoundSet(); - } else if (lengthUnits.equals("bp")) { + } else if (lengthUnits..equalsIgnoreCase("bp")) { if (type != null) { if (type.contains("RNA")) { compoundType = RNACompoundSet.getRNACompoundSet(); From 6acd1e975330c7aaa38258fecaa969333f305592 Mon Sep 17 00:00:00 2001 From: James Morris Date: Tue, 16 Apr 2019 12:27:34 +0100 Subject: [PATCH 007/821] Add files via upload Test genbank files for issue #833, these files all contain uppercase elements that would get successfully parsed by the legacy genbank parser but fail with the genbank parser in biojava 5 --- biojava-core/src/test/resources/uppercase_locus0.gb | 8 ++++++++ biojava-core/src/test/resources/uppercase_locus1.gb | 8 ++++++++ biojava-core/src/test/resources/uppercase_locus2.gb | 1 + biojava-core/src/test/resources/uppercase_locus3.gb | 6 ++++++ biojava-core/src/test/resources/uppercase_locus4.gb | 6 ++++++ biojava-core/src/test/resources/uppercase_locus5.gb | 8 ++++++++ biojava-core/src/test/resources/uppercase_locus6.gb | 8 ++++++++ biojava-core/src/test/resources/uppercase_locus7.gb | 1 + 8 files changed, 46 insertions(+) create mode 100644 biojava-core/src/test/resources/uppercase_locus0.gb create mode 100644 biojava-core/src/test/resources/uppercase_locus1.gb create mode 100644 biojava-core/src/test/resources/uppercase_locus2.gb create mode 100644 biojava-core/src/test/resources/uppercase_locus3.gb create mode 100644 biojava-core/src/test/resources/uppercase_locus4.gb create mode 100644 biojava-core/src/test/resources/uppercase_locus5.gb create mode 100644 biojava-core/src/test/resources/uppercase_locus6.gb create mode 100644 biojava-core/src/test/resources/uppercase_locus7.gb diff --git a/biojava-core/src/test/resources/uppercase_locus0.gb b/biojava-core/src/test/resources/uppercase_locus0.gb new file mode 100644 index 0000000000..0229ff8b94 --- /dev/null +++ b/biojava-core/src/test/resources/uppercase_locus0.gb @@ -0,0 +1,8 @@ +LOCUS ABC12.3_DE 7071 BP DS-DNA CIRCULAR SYN 22-JUL-1994 +DEFINITION - +ACCESSION - +KEYWORDS - +SOURCE - +FEATURES Location/Qualifiers +ORIGIN +// diff --git a/biojava-core/src/test/resources/uppercase_locus1.gb b/biojava-core/src/test/resources/uppercase_locus1.gb new file mode 100644 index 0000000000..82a1e96241 --- /dev/null +++ b/biojava-core/src/test/resources/uppercase_locus1.gb @@ -0,0 +1,8 @@ +LOCUS ABC12.3_DE 7071 BP SS-DNA CIRCULAR SYN 13-JUL-1994 +DEFINITION - +ACCESSION - +KEYWORDS - +SOURCE - +FEATURES Location/Qualifiers +ORIGIN +// diff --git a/biojava-core/src/test/resources/uppercase_locus2.gb b/biojava-core/src/test/resources/uppercase_locus2.gb new file mode 100644 index 0000000000..610a9b3bb5 --- /dev/null +++ b/biojava-core/src/test/resources/uppercase_locus2.gb @@ -0,0 +1 @@ +LOCUS ABC12.3_DE 7071 BP MS-DNA CIRCULAR SYN 13-JUL-1994 DEFINITION - ACCESSION - KEYWORDS - SOURCE - FEATURES Location/Qualifiers ORIGIN // \ No newline at end of file diff --git a/biojava-core/src/test/resources/uppercase_locus3.gb b/biojava-core/src/test/resources/uppercase_locus3.gb new file mode 100644 index 0000000000..d4f8e2d83a --- /dev/null +++ b/biojava-core/src/test/resources/uppercase_locus3.gb @@ -0,0 +1,6 @@ +LOCUS ABC12.3_DE 7071 BP DNA LINEAR SYN 22-JUL-1994 +DEFINITION - +TITLE - +FEATURES Location/Qualifiers +ORIGIN +// diff --git a/biojava-core/src/test/resources/uppercase_locus4.gb b/biojava-core/src/test/resources/uppercase_locus4.gb new file mode 100644 index 0000000000..19c913c309 --- /dev/null +++ b/biojava-core/src/test/resources/uppercase_locus4.gb @@ -0,0 +1,6 @@ +LOCUS ABC12.3_DE 7071 BP DNA SYN 13-JUL-1994 +DEFINITION - +TITLE - +FEATURES Location/Qualifiers +ORIGIN +// diff --git a/biojava-core/src/test/resources/uppercase_locus5.gb b/biojava-core/src/test/resources/uppercase_locus5.gb new file mode 100644 index 0000000000..072f3e0210 --- /dev/null +++ b/biojava-core/src/test/resources/uppercase_locus5.gb @@ -0,0 +1,8 @@ +LOCUS ABC12.3_DE 7071 BP DNA +DEFINITION - +ACCESSION - +KEYWORDS - +SOURCE - +FEATURES Location/Qualifiers +ORIGIN +// diff --git a/biojava-core/src/test/resources/uppercase_locus6.gb b/biojava-core/src/test/resources/uppercase_locus6.gb new file mode 100644 index 0000000000..1c66dfb255 --- /dev/null +++ b/biojava-core/src/test/resources/uppercase_locus6.gb @@ -0,0 +1,8 @@ +LOCUS ABC12.3_DE 7071 BP +DEFINITION - +ACCESSION - +KEYWORDS - +SOURCE - +FEATURES Location/Qualifiers +ORIGIN +// diff --git a/biojava-core/src/test/resources/uppercase_locus7.gb b/biojava-core/src/test/resources/uppercase_locus7.gb new file mode 100644 index 0000000000..0b33925758 --- /dev/null +++ b/biojava-core/src/test/resources/uppercase_locus7.gb @@ -0,0 +1 @@ +LOCUS ABC12.3_DE 7071 AA Protein DEFINITION - ACCESSION - KEYWORDS - SOURCE - FEATURES Location/Qualifiers ORIGIN // \ No newline at end of file From 4abcc138d4101e8d10c8bc8b4260ae4cdba9f73b Mon Sep 17 00:00:00 2001 From: James Morris Date: Tue, 16 Apr 2019 12:30:48 +0100 Subject: [PATCH 008/821] Update GenbankReaderTest.java Added a test for the updates to the locus pattern in GenBankSequenceParser that allow uppercase units, strand and topology. --- .../core/sequence/io/GenbankReaderTest.java | 64 +++++++++++++++++++ 1 file changed, 64 insertions(+) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 4845da4cb1..0c3ac37ce0 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -255,6 +255,33 @@ private DNASequence readGenbankResource(final String resource) throws Exception } return sequence; } + + private ProteinSequence readGenbankProteinResource(final String resource) throws Exception { + ProteinSequence sequence = null; + InputStream inputStream = null; + try { + inputStream = getClass().getResourceAsStream(resource); + + GenbankReader genbankProtein + = new GenbankReader<>( + inputStream, + new GenericGenbankHeaderParser<>(), + new ProteinSequenceCreator(AminoAcidCompoundSet.getAminoAcidCompoundSet()) + ); + + LinkedHashMap proteinSequences = genbankProtein.process(); + sequence = proteinSequences.values().iterator().next(); + } + finally { + try { + inputStream.close(); + } + catch (Exception e) { + // ignore + } + } + return sequence; + } @Test public void testNcbiExpandedAccessionFormats() throws Exception { @@ -267,6 +294,43 @@ public void testNcbiExpandedAccessionFormats() throws Exception { DNASequence header2 = readGenbankResource("/empty_header2.gb"); assertEquals("AZZZAA02123456789 10000000000 bp DNA linear PRI 15-OCT-2018", header2.getOriginalHeader()); } + + @Test + public void testLegacyLocusCompatable() throws Exception { + + // Testing opening a genbank file with uppercase units, strand and topology + DNASequence header0 = readGenbankResource("/uppercase_locus0.gb"); + assertEquals("ABC12.3_DE 7071 BP DS-DNA CIRCULAR SYN 22-JUL-1994", header0.getOriginalHeader()); + + // Testing uppercase SS strand + DNASequence header1 = readGenbankResource("/uppercase_locus1.gb"); + assertEquals("ABC12.3_DE 7071 BP SS-DNA CIRCULAR SYN 13-JUL-1994", header1.getOriginalHeader()); + + // Testing uppercase MS strand + DNASequence header2 = readGenbankResource("/uppercase_locus2.gb"); + assertEquals("ABC12.3_DE 7071 BP MS-DNA CIRCULAR SYN 13-JUL-1994", header2.getOriginalHeader()); + + // Testing uppercase LINEAR topology + DNASequence header3 = readGenbankResource("/uppercase_locus3.gb"); + assertEquals("ABC12.3_DE 7071 BP DNA LINEAR SYN 22-JUL-1994", header3.getOriginalHeader()); + + // Testing uppercase units with no strand or topology + DNASequence header4 = readGenbankResource("/uppercase_locus4.gb"); + assertEquals("ABC12.3_DE 7071 BP DNA SYN 13-JUL-1994", header4.getOriginalHeader()); + + // Testing uppercase units with no strand, topology, division or date + DNASequence header5 = readGenbankResource("/uppercase_locus5.gb"); + assertEquals("ABC12.3_DE 7071 BP DNA", header5.getOriginalHeader()); + + // Testing uppercase units with no strand, molecule type, topology, division or date + DNASequence header6 = readGenbankResource("/uppercase_locus6.gb"); + assertEquals("ABC12.3_DE 7071 BP", header6.getOriginalHeader()); + + // Testing uppercase protein units + ProteinSequence header7 = readGenbankProteinResource("/uppercase_locus7.gb"); + assertEquals("ABC12.3_DE 7071 AA Protein", header7.getOriginalHeader()); + + } /** * Helper class to be able to verify the closed state of the input stream. From 2357d39d6c23454a5818b0730c7011545ddc6dc5 Mon Sep 17 00:00:00 2001 From: James Morris Date: Tue, 16 Apr 2019 13:42:33 +0100 Subject: [PATCH 009/821] Update GenbankSequenceParser.java --- .../biojava/nbio/core/sequence/io/GenbankSequenceParser.java | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 2b79efdbef..9641a38894 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -164,9 +164,9 @@ private String parse(BufferedReader bufferedReader) { String lengthUnits = m.group(2); String type = m.group(5); - if (lengthUnits..equalsIgnoreCase("aa")) { + if (lengthUnits.equalsIgnoreCase("aa")) { compoundType = AminoAcidCompoundSet.getAminoAcidCompoundSet(); - } else if (lengthUnits..equalsIgnoreCase("bp")) { + } else if (lengthUnits.equalsIgnoreCase("bp")) { if (type != null) { if (type.contains("RNA")) { compoundType = RNACompoundSet.getRNACompoundSet(); From 468c44d0512a2bd0f21a74b4874bce8b3b521d36 Mon Sep 17 00:00:00 2001 From: emckee2006 Date: Tue, 16 Apr 2019 13:39:53 -0400 Subject: [PATCH 010/821] Update UniprotProxySequenceReader.java --- .../core/sequence/loader/UniprotProxySequenceReader.java | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java index 777bd612d1..fbb9856a2a 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java @@ -106,8 +106,6 @@ public UniprotProxySequenceReader(String accession, CompoundSet compoundSet) /** * The xml is passed in as a DOM object so we know everything about the protein. - * Some uniprot records contain white space in the sequence. We must strip it out so setContents doesn't fail. - * TODO add simmilar logic to the other constructors * If an error occurs throw an exception. We could have a bad uniprot id * @param document * @param compoundSet @@ -116,7 +114,7 @@ public UniprotProxySequenceReader(String accession, CompoundSet compoundSet) public UniprotProxySequenceReader(Document document, CompoundSet compoundSet) throws CompoundNotFoundException { setCompoundSet(compoundSet); uniprotDoc = document; - String seq = this.getSequence(uniprotDoc).replaceAll("\\s",""); + String seq = this.getSequence(uniprotDoc); setContents(seq); } /** @@ -144,6 +142,7 @@ public void setCompoundSet(CompoundSet compoundSet) { /** * Once the sequence is retrieved set the contents and make sure everything this is valid + * Some uniprot records contain white space in the sequence. We must strip it out so setContents doesn't fail. * @param sequence * @throws CompoundNotFoundException */ @@ -151,8 +150,8 @@ public void setCompoundSet(CompoundSet compoundSet) { public void setContents(String sequence) throws CompoundNotFoundException { // Horrendously inefficient - pretty much the way the old BJ did things. // TODO Should be optimised. - // NOTE This chokes on whitespace in the sequence, so whitespace is stripped by the caller - this.sequence = sequence; + // NOTE This chokes on whitespace in the sequence, so whitespace is stripped + this.sequence = sequence.replaceAll("\\s",""); this.parsedCompounds.clear(); for (int i = 0; i < sequence.length();) { String compoundStr = null; From f66ea3c99d6c35c8c1d482b657fe5cd757090c7f Mon Sep 17 00:00:00 2001 From: James Morris Date: Wed, 17 Apr 2019 12:07:20 +0100 Subject: [PATCH 011/821] Update uppercase_locus7.gb Removed ACCESSION line from header so that locus line ID will be set as accession and can be tested --- biojava-core/src/test/resources/uppercase_locus7.gb | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/biojava-core/src/test/resources/uppercase_locus7.gb b/biojava-core/src/test/resources/uppercase_locus7.gb index 0b33925758..24b1df284f 100644 --- a/biojava-core/src/test/resources/uppercase_locus7.gb +++ b/biojava-core/src/test/resources/uppercase_locus7.gb @@ -1 +1,7 @@ -LOCUS ABC12.3_DE 7071 AA Protein DEFINITION - ACCESSION - KEYWORDS - SOURCE - FEATURES Location/Qualifiers ORIGIN // \ No newline at end of file +LOCUS ABC12.3_DE 7071 AA Protein +DEFINITION - +KEYWORDS - +SOURCE - +FEATURES Location/Qualifiers +ORIGIN +// From 0254e79eef195ed3707364361eecdfc87819330b Mon Sep 17 00:00:00 2001 From: James Morris Date: Wed, 17 Apr 2019 12:07:39 +0100 Subject: [PATCH 012/821] Update uppercase_locus6.gb Removed ACCESSION line from header so that locus line ID will be set as accession and can be tested --- biojava-core/src/test/resources/uppercase_locus6.gb | 1 - 1 file changed, 1 deletion(-) diff --git a/biojava-core/src/test/resources/uppercase_locus6.gb b/biojava-core/src/test/resources/uppercase_locus6.gb index 1c66dfb255..788073e27f 100644 --- a/biojava-core/src/test/resources/uppercase_locus6.gb +++ b/biojava-core/src/test/resources/uppercase_locus6.gb @@ -1,6 +1,5 @@ LOCUS ABC12.3_DE 7071 BP DEFINITION - -ACCESSION - KEYWORDS - SOURCE - FEATURES Location/Qualifiers From 0d8298e05c563d25b66c90117a97761adda389e1 Mon Sep 17 00:00:00 2001 From: James Morris Date: Wed, 17 Apr 2019 12:07:55 +0100 Subject: [PATCH 013/821] Update uppercase_locus5.gb Removed ACCESSION line from header so that locus line ID will be set as accession and can be tested --- biojava-core/src/test/resources/uppercase_locus5.gb | 1 - 1 file changed, 1 deletion(-) diff --git a/biojava-core/src/test/resources/uppercase_locus5.gb b/biojava-core/src/test/resources/uppercase_locus5.gb index 072f3e0210..aeae81fd6d 100644 --- a/biojava-core/src/test/resources/uppercase_locus5.gb +++ b/biojava-core/src/test/resources/uppercase_locus5.gb @@ -1,6 +1,5 @@ LOCUS ABC12.3_DE 7071 BP DNA DEFINITION - -ACCESSION - KEYWORDS - SOURCE - FEATURES Location/Qualifiers From db5d1443415ae69d6f365f7baf778f861bb7cced Mon Sep 17 00:00:00 2001 From: James Morris Date: Wed, 17 Apr 2019 12:08:25 +0100 Subject: [PATCH 014/821] Update uppercase_locus2.gb Removed ACCESSION line from header so that locus line ID will be set as accession and can be tested --- biojava-core/src/test/resources/uppercase_locus2.gb | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/biojava-core/src/test/resources/uppercase_locus2.gb b/biojava-core/src/test/resources/uppercase_locus2.gb index 610a9b3bb5..fdf61de3b5 100644 --- a/biojava-core/src/test/resources/uppercase_locus2.gb +++ b/biojava-core/src/test/resources/uppercase_locus2.gb @@ -1 +1,7 @@ -LOCUS ABC12.3_DE 7071 BP MS-DNA CIRCULAR SYN 13-JUL-1994 DEFINITION - ACCESSION - KEYWORDS - SOURCE - FEATURES Location/Qualifiers ORIGIN // \ No newline at end of file +LOCUS ABC12.3_DE 7071 BP MS-DNA CIRCULAR SYN 13-JUL-1994 +DEFINITION - +KEYWORDS - +SOURCE - +FEATURES Location/Qualifiers +ORIGIN +// From 56accd8d6f047cf065557e277b61bed37f2c7574 Mon Sep 17 00:00:00 2001 From: James Morris Date: Wed, 17 Apr 2019 12:08:48 +0100 Subject: [PATCH 015/821] Update uppercase_locus1.gb Removed ACCESSION line from header so that locus line ID will be set as accession and can be tested --- biojava-core/src/test/resources/uppercase_locus1.gb | 1 - 1 file changed, 1 deletion(-) diff --git a/biojava-core/src/test/resources/uppercase_locus1.gb b/biojava-core/src/test/resources/uppercase_locus1.gb index 82a1e96241..fa8e641526 100644 --- a/biojava-core/src/test/resources/uppercase_locus1.gb +++ b/biojava-core/src/test/resources/uppercase_locus1.gb @@ -1,6 +1,5 @@ LOCUS ABC12.3_DE 7071 BP SS-DNA CIRCULAR SYN 13-JUL-1994 DEFINITION - -ACCESSION - KEYWORDS - SOURCE - FEATURES Location/Qualifiers From b7ea72b521dd4998c593d9170ae2c78ee38d7d8e Mon Sep 17 00:00:00 2001 From: James Morris Date: Wed, 17 Apr 2019 12:09:08 +0100 Subject: [PATCH 016/821] Update uppercase_locus0.gb Removed ACCESSION line from header so that locus line ID will be set as accession and can be tested --- biojava-core/src/test/resources/uppercase_locus0.gb | 1 - 1 file changed, 1 deletion(-) diff --git a/biojava-core/src/test/resources/uppercase_locus0.gb b/biojava-core/src/test/resources/uppercase_locus0.gb index 0229ff8b94..8f0229f443 100644 --- a/biojava-core/src/test/resources/uppercase_locus0.gb +++ b/biojava-core/src/test/resources/uppercase_locus0.gb @@ -1,6 +1,5 @@ LOCUS ABC12.3_DE 7071 BP DS-DNA CIRCULAR SYN 22-JUL-1994 DEFINITION - -ACCESSION - KEYWORDS - SOURCE - FEATURES Location/Qualifiers From 572210a8a1f31e80ddcfa6d53f71eca909ecefaa Mon Sep 17 00:00:00 2001 From: James Morris Date: Wed, 17 Apr 2019 12:14:27 +0100 Subject: [PATCH 017/821] Update GenbankReaderTest.java Added assertions for each uppercase_locus test file to check that the ID field is successfully pulled out using the updated locus line Pattern --- .../biojava/nbio/core/sequence/io/GenbankReaderTest.java | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 0c3ac37ce0..10e5e0714c 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -301,34 +301,42 @@ public void testLegacyLocusCompatable() throws Exception { // Testing opening a genbank file with uppercase units, strand and topology DNASequence header0 = readGenbankResource("/uppercase_locus0.gb"); assertEquals("ABC12.3_DE 7071 BP DS-DNA CIRCULAR SYN 22-JUL-1994", header0.getOriginalHeader()); + assertEquals("ABC12.3_DE", header0.getAccession().getID()); // Testing uppercase SS strand DNASequence header1 = readGenbankResource("/uppercase_locus1.gb"); assertEquals("ABC12.3_DE 7071 BP SS-DNA CIRCULAR SYN 13-JUL-1994", header1.getOriginalHeader()); + assertEquals("ABC12.3_DE", header1.getAccession().getID()); // Testing uppercase MS strand DNASequence header2 = readGenbankResource("/uppercase_locus2.gb"); assertEquals("ABC12.3_DE 7071 BP MS-DNA CIRCULAR SYN 13-JUL-1994", header2.getOriginalHeader()); + assertEquals("ABC12.3_DE", header2.getAccession().getID()); // Testing uppercase LINEAR topology DNASequence header3 = readGenbankResource("/uppercase_locus3.gb"); assertEquals("ABC12.3_DE 7071 BP DNA LINEAR SYN 22-JUL-1994", header3.getOriginalHeader()); + assertEquals("ABC12.3_DE", header3.getAccession().getID()); // Testing uppercase units with no strand or topology DNASequence header4 = readGenbankResource("/uppercase_locus4.gb"); assertEquals("ABC12.3_DE 7071 BP DNA SYN 13-JUL-1994", header4.getOriginalHeader()); + assertEquals("ABC12.3_DE", header4.getAccession().getID()); // Testing uppercase units with no strand, topology, division or date DNASequence header5 = readGenbankResource("/uppercase_locus5.gb"); assertEquals("ABC12.3_DE 7071 BP DNA", header5.getOriginalHeader()); + assertEquals("ABC12.3_DE", header5.getAccession().getID()); // Testing uppercase units with no strand, molecule type, topology, division or date DNASequence header6 = readGenbankResource("/uppercase_locus6.gb"); assertEquals("ABC12.3_DE 7071 BP", header6.getOriginalHeader()); + assertEquals("ABC12.3_DE", header6.getAccession().getID()); // Testing uppercase protein units ProteinSequence header7 = readGenbankProteinResource("/uppercase_locus7.gb"); assertEquals("ABC12.3_DE 7071 AA Protein", header7.getOriginalHeader()); + assertEquals("ABC12.3_DE", header7.getAccession().getID()); } From 59e77ddaeb8c2d0bc7cd0643d7a6ce8cab0fb11f Mon Sep 17 00:00:00 2001 From: James Morris Date: Thu, 18 Apr 2019 16:21:47 +0100 Subject: [PATCH 018/821] Update uppercase_locus4.gb Changed molecule type to RNA --- biojava-core/src/test/resources/uppercase_locus4.gb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/test/resources/uppercase_locus4.gb b/biojava-core/src/test/resources/uppercase_locus4.gb index 19c913c309..faf86ce6eb 100644 --- a/biojava-core/src/test/resources/uppercase_locus4.gb +++ b/biojava-core/src/test/resources/uppercase_locus4.gb @@ -1,4 +1,4 @@ -LOCUS ABC12.3_DE 7071 BP DNA SYN 13-JUL-1994 +LOCUS ABC12.3_DE 7071 BP RNA SYN 13-JUL-1994 DEFINITION - TITLE - FEATURES Location/Qualifiers From f270620a3b18fd5648ddbe9e91a3704d6e1a7d29 Mon Sep 17 00:00:00 2001 From: James Morris Date: Thu, 18 Apr 2019 16:29:21 +0100 Subject: [PATCH 019/821] Update GenbankReaderTest.java Added assertions for checking that the compound type in the GenbankSequenceParser is set correctly from the locus line Pattern. To do this I added another method for reading a genbank file into an AbstractSequence object so that its CompoundSet is defined by the genbank file header. --- .../core/sequence/io/GenbankReaderTest.java | 79 ++++++++++++++++--- 1 file changed, 70 insertions(+), 9 deletions(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 10e5e0714c..6e7d419a02 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -256,6 +256,32 @@ private DNASequence readGenbankResource(final String resource) throws Exception return sequence; } + private RNASequence readGenbankRNAResource(final String resource) throws Exception { + RNASequence sequence = null; + InputStream inputStream = null; + try { + inputStream = getClass().getResourceAsStream(resource); + + GenbankReader genbankRNA + = new GenbankReader<>( + inputStream, + new GenericGenbankHeaderParser<>(), + new RNASequenceCreator(RNACompoundSet.getRNACompoundSet()) + ); + LinkedHashMap rnaSequences = genbankRNA.process(); + sequence = rnaSequences.values().iterator().next(); + } + finally { + try { + inputStream.close(); + } + catch (Exception e) { + // ignore + } + } + return sequence; + } + private ProteinSequence readGenbankProteinResource(final String resource) throws Exception { ProteinSequence sequence = null; InputStream inputStream = null; @@ -282,6 +308,34 @@ private ProteinSequence readGenbankProteinResource(final String resource) throws } return sequence; } + + private AbstractSequence readUnknownGenbankResource(final String resource) throws Exception { + InputStream inputStream = null; + + try { + inputStream = getClass().getResourceAsStream(resource); + GenbankSequenceParser genbankParser = new GenbankSequenceParser(); + BufferedReader bufferedReader = new BufferedReader(new InputStreamReader(inputStream)); + String seqString = genbankParser.getSequence(bufferedReader, 0); + String compoundSet = genbankParser.getCompoundType().getClass().getSimpleName(); + + if (compoundSet.equals("AminoAcidCompoundSet")) { + return readGenbankProteinResource(resource); + } else if (compoundSet.equals("RNACompoundSet")) { + return readGenbankRNAResource(resource); + } else { + return readGenbankResource(resource); + } + } + finally { + try { + inputStream.close(); + } + catch (Exception e) { + // ignore + } + } + } @Test public void testNcbiExpandedAccessionFormats() throws Exception { @@ -299,44 +353,51 @@ public void testNcbiExpandedAccessionFormats() throws Exception { public void testLegacyLocusCompatable() throws Exception { // Testing opening a genbank file with uppercase units, strand and topology - DNASequence header0 = readGenbankResource("/uppercase_locus0.gb"); + AbstractSequence header0 = readUnknownGenbankResource("/uppercase_locus0.gb"); assertEquals("ABC12.3_DE 7071 BP DS-DNA CIRCULAR SYN 22-JUL-1994", header0.getOriginalHeader()); assertEquals("ABC12.3_DE", header0.getAccession().getID()); + assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase SS strand - DNASequence header1 = readGenbankResource("/uppercase_locus1.gb"); + AbstractSequence header1 = readUnknownGenbankResource("/uppercase_locus1.gb"); assertEquals("ABC12.3_DE 7071 BP SS-DNA CIRCULAR SYN 13-JUL-1994", header1.getOriginalHeader()); assertEquals("ABC12.3_DE", header1.getAccession().getID()); + assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase MS strand - DNASequence header2 = readGenbankResource("/uppercase_locus2.gb"); + AbstractSequence header2 = readUnknownGenbankResource("/uppercase_locus2.gb"); assertEquals("ABC12.3_DE 7071 BP MS-DNA CIRCULAR SYN 13-JUL-1994", header2.getOriginalHeader()); assertEquals("ABC12.3_DE", header2.getAccession().getID()); + assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase LINEAR topology - DNASequence header3 = readGenbankResource("/uppercase_locus3.gb"); + AbstractSequence header3 = readUnknownGenbankResource("/uppercase_locus3.gb"); assertEquals("ABC12.3_DE 7071 BP DNA LINEAR SYN 22-JUL-1994", header3.getOriginalHeader()); assertEquals("ABC12.3_DE", header3.getAccession().getID()); + assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase units with no strand or topology - DNASequence header4 = readGenbankResource("/uppercase_locus4.gb"); - assertEquals("ABC12.3_DE 7071 BP DNA SYN 13-JUL-1994", header4.getOriginalHeader()); + AbstractSequence header4 = readUnknownGenbankResource("/uppercase_locus4.gb"); + assertEquals("ABC12.3_DE 7071 BP RNA SYN 13-JUL-1994", header4.getOriginalHeader()); assertEquals("ABC12.3_DE", header4.getAccession().getID()); + assertEquals("RNACompoundSet", header4.getCompoundSet().getClass().getSimpleName()); // Testing uppercase units with no strand, topology, division or date - DNASequence header5 = readGenbankResource("/uppercase_locus5.gb"); + AbstractSequence header5 = readUnknownGenbankResource("/uppercase_locus5.gb"); assertEquals("ABC12.3_DE 7071 BP DNA", header5.getOriginalHeader()); assertEquals("ABC12.3_DE", header5.getAccession().getID()); // Testing uppercase units with no strand, molecule type, topology, division or date - DNASequence header6 = readGenbankResource("/uppercase_locus6.gb"); + AbstractSequence header6 = readUnknownGenbankResource("/uppercase_locus6.gb"); assertEquals("ABC12.3_DE 7071 BP", header6.getOriginalHeader()); assertEquals("ABC12.3_DE", header6.getAccession().getID()); + assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase protein units - ProteinSequence header7 = readGenbankProteinResource("/uppercase_locus7.gb"); + AbstractSequence header7 = readUnknownGenbankResource("/uppercase_locus7.gb"); assertEquals("ABC12.3_DE 7071 AA Protein", header7.getOriginalHeader()); assertEquals("ABC12.3_DE", header7.getAccession().getID()); + assertEquals("AminoAcidCompoundSet", header7.getCompoundSet().getClass().getSimpleName()); } From d4317aee512df4961b2085f1a063b695ddd31a37 Mon Sep 17 00:00:00 2001 From: James Morris Date: Thu, 18 Apr 2019 16:31:46 +0100 Subject: [PATCH 020/821] Update GenbankReaderTest.java Added imports for RNASequence and RNACompoundSet; --- .../org/biojava/nbio/core/sequence/io/GenbankReaderTest.java | 2 ++ 1 file changed, 2 insertions(+) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 6e7d419a02..40af2a5fdc 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -22,10 +22,12 @@ import org.biojava.nbio.core.exceptions.CompoundNotFoundException; import org.biojava.nbio.core.sequence.DNASequence; +import org.biojava.nbio.core.sequence.RNASequence; import org.biojava.nbio.core.sequence.ProteinSequence; import org.biojava.nbio.core.sequence.compound.AminoAcidCompound; import org.biojava.nbio.core.sequence.compound.AminoAcidCompoundSet; import org.biojava.nbio.core.sequence.compound.DNACompoundSet; +import org.biojava.nbio.core.sequence.compound.RNACompoundSet; import org.biojava.nbio.core.sequence.compound.NucleotideCompound; import org.biojava.nbio.core.sequence.features.FeatureInterface; import org.biojava.nbio.core.sequence.features.Qualifier; From 3ab604208c92f6bd40167b20fbceeb9af645d622 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Fri, 19 Apr 2019 10:38:50 -0700 Subject: [PATCH 021/821] implements a unified CIF and BinaryCIF parser --- biojava-structure/pom.xml | 6 +- .../nbio/structure/io/CIFFileReader.java | 123 + .../structure/io/cif/CifFileConsumer.java | 133 + .../structure/io/cif/CifFileConsumerImpl.java | 1833 + .../io/cif/CifFileConsumerImplTest.java | 211 + .../src/test/resources/1a4w.bcif | Bin 0 -> 217266 bytes biojava-structure/src/test/resources/1a4w.cif | 4429 +++ biojava-structure/src/test/resources/1a4w.pdb | 3148 ++ .../src/test/resources/1fdo.bcif | Bin 0 -> 245648 bytes biojava-structure/src/test/resources/1fdo.cif | 8396 ++++ biojava-structure/src/test/resources/1fdo.pdb | 6448 +++ .../src/test/resources/1j59.bcif | Bin 0 -> 257648 bytes biojava-structure/src/test/resources/1j59.cif | 6976 ++++ biojava-structure/src/test/resources/1j59.pdb | 5307 +++ .../src/test/resources/2kc9.bcif | Bin 0 -> 407266 bytes biojava-structure/src/test/resources/2kc9.cif | 32912 ++++++++++++++++ biojava-structure/src/test/resources/2kc9.pdb | 32297 +++++++++++++++ .../src/test/resources/5pti.bcif | Bin 0 -> 156146 bytes biojava-structure/src/test/resources/5pti.cif | 2005 + biojava-structure/src/test/resources/5pti.pdb | 1486 + 20 files changed, 105709 insertions(+), 1 deletion(-) create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/CIFFileReader.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java create mode 100644 biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java create mode 100644 biojava-structure/src/test/resources/1a4w.bcif create mode 100644 biojava-structure/src/test/resources/1a4w.cif create mode 100644 biojava-structure/src/test/resources/1a4w.pdb create mode 100644 biojava-structure/src/test/resources/1fdo.bcif create mode 100644 biojava-structure/src/test/resources/1fdo.cif create mode 100644 biojava-structure/src/test/resources/1fdo.pdb create mode 100644 biojava-structure/src/test/resources/1j59.bcif create mode 100644 biojava-structure/src/test/resources/1j59.cif create mode 100644 biojava-structure/src/test/resources/1j59.pdb create mode 100644 biojava-structure/src/test/resources/2kc9.bcif create mode 100644 biojava-structure/src/test/resources/2kc9.cif create mode 100644 biojava-structure/src/test/resources/2kc9.pdb create mode 100644 biojava-structure/src/test/resources/5pti.bcif create mode 100644 biojava-structure/src/test/resources/5pti.cif create mode 100644 biojava-structure/src/test/resources/5pti.pdb diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index 429400a460..a65c401069 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -18,7 +18,11 @@ - + + org.rcsb + ciftools-java + 1.0-SNAPSHOT + org.rcsb mmtf-api diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CIFFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CIFFileReader.java new file mode 100644 index 0000000000..593176d9bc --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CIFFileReader.java @@ -0,0 +1,123 @@ +package org.biojava.nbio.structure.io; + +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.io.cif.CifFileConsumer; +import org.biojava.nbio.structure.io.cif.CifFileConsumerImpl; +import org.rcsb.cif.CifReader; +import org.rcsb.cif.model.Block; +import org.rcsb.cif.model.CifFile; + +import java.io.IOException; +import java.io.InputStream; + +public class CIFFileReader extends LocalPDBDirectory { + // TODO paths are meaningless for now + public static final String[] BCIF_SPLIT_DIR = new String[] { "data", "structures", "divided", "bcif" }; + public static final String[] BCIF_OBSOLETE_DIR = new String[] { "data", "structures", "obsolete", "bcif" }; + + public CIFFileReader() { + this(null); + } + + public CIFFileReader(String path) { + super(path); + // TODO + addExtension(".cif"); + addExtension(".cif.gz"); + addExtension(".bcif"); + addExtension(".bcif.gz"); + } + + @Override + public Structure getStructure(InputStream inStream) throws IOException { + return read(inStream); + } + + @Override + protected String getFilename(String pdbId) { + // TODO + return pdbId.toLowerCase() + ".bcif.gz"; + } + + @Override + protected String[] getSplitDirPath() { + // TODO + return BCIF_SPLIT_DIR; + } + + @Override + protected String[] getObsoleteDirPath() { + // TODO + return BCIF_OBSOLETE_DIR; + } + + private Structure read(InputStream inputStream) throws IOException { + // TODO allow to switch dynamically between text and binary? + // obtain the decoded, flat representation of the input + return read(CifReader.parseBinary(inputStream)); + } + + private Structure read(CifFile cifFile) { + // initialize consumer + CifFileConsumer consumer = new CifFileConsumerImpl(getFileParsingParameters()); + + // init structure + consumer.prepare(); + + // feed individual categories to consumer + Block cifBlock = cifFile.getBlocks().get(0); + + // TODO maybe integrate rogue categories into Cif schema + // TODO rethink way to access missing categories + consumer.consumeAuditAuthor(cifBlock.getCategory("audit_author")); + consumer.consumeAtomSite(cifBlock.getAtomSite()); + consumer.consumeAtomSites(cifBlock.getAtomSites()); + consumer.consumeCell(cifBlock.getCell()); + consumer.consumeChemComp(cifBlock.getChemComp()); + consumer.consumeChemCompBond(cifBlock.getChemCompBond()); + consumer.consumeDatabasePDBremark(cifBlock.getCategory("database_PDB_remark")); + consumer.consumeDatabasePDBrev(cifBlock.getCategory("database_PDB_rev")); + consumer.consumeDatabasePDBrevRecord(cifBlock.getCategory("database_PDB_rev_record")); + consumer.consumeEntity(cifBlock.getEntity()); + consumer.consumeEntityPoly(cifBlock.getEntityPoly()); + consumer.consumeEntitySrcGen(cifBlock.getCategory("entity_src_gen")); + consumer.consumeEntitySrcNat(cifBlock.getCategory("entity_src_nat")); + consumer.consumeEntitySrcSyn(cifBlock.getCategory("entity_src_syn")); + consumer.consumeEntityPolySeq(cifBlock.getEntityPolySeq()); + consumer.consumeExptl(cifBlock.getExptl()); + consumer.consumePdbxAuditRevisionHistory(cifBlock.getCategory("pdbx_audit_revision_history")); + consumer.consumePdbxChemCompIdentifier(cifBlock.getPdbxChemCompIdentifier()); + consumer.consumePdbxDatabaseStatus(cifBlock.getCategory("pdbx_database_status")); + consumer.consumePdbxEntityDescriptor(cifBlock.getPdbxEntityDescriptor()); + consumer.consumePdbxMolecule(cifBlock.getPdbxMolecule()); + consumer.consumePdbxMoleculeFeatures(cifBlock.getPdbxMoleculeFeatures()); + consumer.consumePdbxNonpolyScheme(cifBlock.getPdbxNonpolyScheme()); + consumer.consumePdbxReferenceEntityLink(cifBlock.getPdbxReferenceEntityLink()); + consumer.consumePdbxReferenceEntityList(cifBlock.getPdbxReferenceEntityList()); + consumer.consumePdbxReferenceEntityPolyLink(cifBlock.getPdbxReferenceEntityPolyLink()); + consumer.consumePdbxStructAssembly(cifBlock.getPdbxStructAssembly()); + consumer.consumePdbxStructAssemblyGen(cifBlock.getPdbxStructAssemblyGen()); + consumer.consumePdbxStructModResidue(cifBlock.getPdbxStructModResidue()); + consumer.consumePdbxStructOperList(cifBlock.getPdbxStructOperList()); + consumer.consumeRefine(cifBlock.getCategory("refine")); + consumer.consumeStruct(cifBlock.getStruct()); + consumer.consumeStructAsym(cifBlock.getStructAsym()); + consumer.consumeStructConf(cifBlock.getStructConf()); + consumer.consumeStructConn(cifBlock.getStructConn()); + consumer.consumeStructConnType(cifBlock.getStructConnType()); + consumer.consumeStructKeywords(cifBlock.getStructKeywords()); + consumer.consumeStructNcsOper(cifBlock.getStructNcsOper()); + consumer.consumeStructRef(cifBlock.getCategory("struct_ref")); + consumer.consumeStructRefSeq(cifBlock.getCategory("struct_ref_seq")); + consumer.consumeStructRefSeqDif(cifBlock.getCategory("struct_ref_seq_dif")); + consumer.consumeStructSheetRange(cifBlock.getStructSheetRange()); + consumer.consumeStructSite(cifBlock.getStructSite()); + consumer.consumeStructSiteGen(cifBlock.getStructSiteGen()); + consumer.consumeSymmetry(cifBlock.getSymmetry()); + + // prepare structure to be retrieved + consumer.finish(); + + return consumer.getContainer(); + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java new file mode 100644 index 0000000000..fd24111f48 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java @@ -0,0 +1,133 @@ +package org.biojava.nbio.structure.io.cif; + +import org.rcsb.cif.model.Category; +import org.rcsb.cif.model.atomsite.AtomSite; +import org.rcsb.cif.model.atomsites.AtomSites; +import org.rcsb.cif.model.cell.Cell; +import org.rcsb.cif.model.chemcomp.ChemComp; +import org.rcsb.cif.model.chemcompbond.ChemCompBond; +import org.rcsb.cif.model.entity.Entity; +import org.rcsb.cif.model.entitypoly.EntityPoly; +import org.rcsb.cif.model.entitypolyseq.EntityPolySeq; +import org.rcsb.cif.model.exptl.Exptl; +import org.rcsb.cif.model.pdbxchemcompidentifier.PdbxChemCompIdentifier; +import org.rcsb.cif.model.pdbxentitydescriptor.PdbxEntityDescriptor; +import org.rcsb.cif.model.pdbxmolecule.PdbxMolecule; +import org.rcsb.cif.model.pdbxmoleculefeatures.PdbxMoleculeFeatures; +import org.rcsb.cif.model.pdbxnonpolyscheme.PdbxNonpolyScheme; +import org.rcsb.cif.model.pdbxreferenceentitylink.PdbxReferenceEntityLink; +import org.rcsb.cif.model.pdbxreferenceentitylist.PdbxReferenceEntityList; +import org.rcsb.cif.model.pdbxreferenceentitypolylink.PdbxReferenceEntityPolyLink; +import org.rcsb.cif.model.pdbxstructassembly.PdbxStructAssembly; +import org.rcsb.cif.model.pdbxstructassemblygen.PdbxStructAssemblyGen; +import org.rcsb.cif.model.pdbxstructmodresidue.PdbxStructModResidue; +import org.rcsb.cif.model.pdbxstructoperlist.PdbxStructOperList; +import org.rcsb.cif.model.struct.Struct; +import org.rcsb.cif.model.structasym.StructAsym; +import org.rcsb.cif.model.structconf.StructConf; +import org.rcsb.cif.model.structconn.StructConn; +import org.rcsb.cif.model.structconntype.StructConnType; +import org.rcsb.cif.model.structkeywords.StructKeywords; +import org.rcsb.cif.model.structncsoper.StructNcsOper; +import org.rcsb.cif.model.structsheetrange.StructSheetRange; +import org.rcsb.cif.model.structsite.StructSite; +import org.rcsb.cif.model.structsitegen.StructSiteGen; +import org.rcsb.cif.model.symmetry.Symmetry; + +public interface CifFileConsumer { + void prepare(); + + void consumeAtomSite(AtomSite atomSite); + + void consumeAtomSites(AtomSites atomSites); + + void consumeAuditAuthor(Category auditAuthor); + + void consumeCell(Cell cell); + + void consumeChemComp(ChemComp chemComp); + + void consumeChemCompBond(ChemCompBond chemCompBond); + + void consumeDatabasePDBremark(Category databasePDBremark); + + void consumeDatabasePDBrev(Category databasePDBrev); + + void consumeDatabasePDBrevRecord(Category databasePDBrevRecord); + + void consumeEntity(Entity e); + + void consumeEntityPoly(EntityPoly entityPoly); + + void consumeEntitySrcGen(Category entitySrcGen); + + void consumeEntitySrcNat(Category entitySrcNat); + + void consumeEntitySrcSyn(Category entitySrcSyn); + + void consumeEntityPolySeq(EntityPolySeq entityPolySeq); + + void consumeExptl(Exptl exptl); + + void consumePdbxAuditRevisionHistory(Category pdbxAuditRevisionHistory); + + void consumePdbxChemCompIdentifier(PdbxChemCompIdentifier pdbxChemCompIdentifier); + + void consumePdbxDatabaseStatus(Category pdbxDatabaseStatus); + + void consumePdbxEntityDescriptor(PdbxEntityDescriptor pdbxEntityDescriptor); + + void consumePdbxMolecule(PdbxMolecule pdbxMolecule); + + void consumePdbxMoleculeFeatures(PdbxMoleculeFeatures pdbxMoleculeFeatures); + + void consumePdbxNonpolyScheme(PdbxNonpolyScheme pdbxNonpolyScheme); + + void consumePdbxReferenceEntityLink(PdbxReferenceEntityLink pdbxReferenceEntityLink); + + void consumePdbxReferenceEntityList(PdbxReferenceEntityList pdbxReferenceEntityList); + + void consumePdbxReferenceEntityPolyLink(PdbxReferenceEntityPolyLink pdbxReferenceEntityPolyLink); + + void consumePdbxStructAssembly(PdbxStructAssembly pdbxStructAssembly); + + void consumePdbxStructAssemblyGen(PdbxStructAssemblyGen pdbxStructAssemblyGen); + + void consumePdbxStructModResidue(PdbxStructModResidue pdbxStructModResidue); + + void consumePdbxStructOperList(PdbxStructOperList pdbxStructOperList); + + void consumeRefine(Category refine); + + void consumeStruct(Struct struct); + + void consumeStructAsym(StructAsym structAsym); + + void consumeStructConf(StructConf structConf); + + void consumeStructConn(StructConn structConn); + + void consumeStructConnType(StructConnType structConnType); + + void consumeStructKeywords(StructKeywords structKeywords); + + void consumeStructNcsOper(StructNcsOper structNcsOper); + + void consumeStructRef(Category structRef); + + void consumeStructRefSeq(Category structRefSeq); + + void consumeStructRefSeqDif(Category structRefSeqDif); + + void consumeStructSheetRange(StructSheetRange structSheetRange); + + void consumeStructSite(StructSite structSite); + + void consumeStructSiteGen(StructSiteGen structSiteGen); + + void consumeSymmetry(Symmetry symmetry); + + void finish(); + + S getContainer(); +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java new file mode 100644 index 0000000000..69619b38cf --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -0,0 +1,1833 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.*; +import org.biojava.nbio.structure.io.*; +import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; +import org.biojava.nbio.structure.io.mmcif.model.DatabasePdbrevRecord; +import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; +import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; +import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; +import org.biojava.nbio.structure.xtal.CrystalCell; +import org.biojava.nbio.structure.xtal.SpaceGroup; +import org.biojava.nbio.structure.xtal.SymoplibParser; +import org.rcsb.cif.model.Category; +import org.rcsb.cif.model.Column; +import org.rcsb.cif.model.atomsite.*; +import org.rcsb.cif.model.atomsites.AtomSites; +import org.rcsb.cif.model.cell.Cell; +import org.rcsb.cif.model.chemcomp.ChemComp; +import org.rcsb.cif.model.chemcompbond.ChemCompBond; +import org.rcsb.cif.model.entity.Entity; +import org.rcsb.cif.model.entitypoly.EntityPoly; +import org.rcsb.cif.model.entitypolyseq.EntityPolySeq; +import org.rcsb.cif.model.exptl.Exptl; +import org.rcsb.cif.model.pdbxchemcompidentifier.PdbxChemCompIdentifier; +import org.rcsb.cif.model.pdbxentitydescriptor.PdbxEntityDescriptor; +import org.rcsb.cif.model.pdbxmolecule.PdbxMolecule; +import org.rcsb.cif.model.pdbxmoleculefeatures.PdbxMoleculeFeatures; +import org.rcsb.cif.model.pdbxnonpolyscheme.PdbxNonpolyScheme; +import org.rcsb.cif.model.pdbxreferenceentitylink.PdbxReferenceEntityLink; +import org.rcsb.cif.model.pdbxreferenceentitylist.PdbxReferenceEntityList; +import org.rcsb.cif.model.pdbxreferenceentitypolylink.PdbxReferenceEntityPolyLink; +import org.rcsb.cif.model.pdbxstructassembly.PdbxStructAssembly; +import org.rcsb.cif.model.pdbxstructassemblygen.PdbxStructAssemblyGen; +import org.rcsb.cif.model.pdbxstructmodresidue.PdbxStructModResidue; +import org.rcsb.cif.model.pdbxstructoperlist.PdbxStructOperList; +import org.rcsb.cif.model.struct.Struct; +import org.rcsb.cif.model.structasym.StructAsym; +import org.rcsb.cif.model.structconf.StructConf; +import org.rcsb.cif.model.structconn.StructConn; +import org.rcsb.cif.model.structconntype.StructConnType; +import org.rcsb.cif.model.structkeywords.PdbxKeywords; +import org.rcsb.cif.model.structkeywords.StructKeywords; +import org.rcsb.cif.model.structncsoper.StructNcsOper; +import org.rcsb.cif.model.structsheetrange.StructSheetRange; +import org.rcsb.cif.model.structsite.StructSite; +import org.rcsb.cif.model.structsitegen.StructSiteGen; +import org.rcsb.cif.model.symmetry.Symmetry; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +import javax.vecmath.Matrix4d; +import java.text.ParseException; +import java.text.SimpleDateFormat; +import java.util.*; +import java.util.stream.Collectors; +import java.util.stream.IntStream; + +public class CifFileConsumerImpl implements CifFileConsumer { + private static final Logger logger = LoggerFactory.getLogger(CifFileConsumerImpl.class); + private static final SimpleDateFormat DATE_FORMAT = new SimpleDateFormat("yyyy-MM-dd", Locale.US); + + private Structure structure; + private Chain currentChain; + private Group currentGroup; + private List> allModels; + private List currentModel; + private PDBHeader pdbHeader; + private String currentNmrModelNumber; + private List entityChains; + + private Entity entity; + private EntityPoly entityPoly; + private Category entitySrcGen; + private Category entitySrcNat; + private Category entitySrcSyn; + private List seqResChains; + private PdbxStructAssembly structAssembly; + private PdbxStructAssemblyGen structAssemblyGen; + private StructAsym structAsym; + private StructConn structConn; + private StructNcsOper structNcsOper; + private PdbxStructOperList structOpers; + private Category structRef; + private Category structRefSeqDif; + private StructSiteGen structSiteGen; + + private Map asymId2entityId; + private Map asymId2authorId; + private Matrix4d parsedScaleMatrix; + + private FileParsingParameters params; + + public CifFileConsumerImpl(FileParsingParameters params) { + this.params = params; + } + + @Override + public void prepare() { + this.structure = new StructureImpl(); + this.pdbHeader = new PDBHeader(); + structure.setPDBHeader(pdbHeader); + + this.allModels = new ArrayList<>(); + this.currentModel = new ArrayList<>(); + + this.seqResChains = new ArrayList<>(); + this.asymId2entityId = new HashMap<>(); + this.asymId2authorId = new HashMap<>(); + + this.entityChains = new ArrayList<>(); + } + + @Override + public void consumeAtomSite(AtomSite atomSite) { + if (params.isHeaderOnly()) { + return; + } + + LabelAsymId labelAsymId = atomSite.getLabelAsymId(); + AuthAsymId authAsymId = atomSite.getAuthAsymId(); + + GroupPDB groupPDB = atomSite.getGroupPDB(); + AuthSeqId authSeqId = atomSite.getAuthSeqId(); + + LabelCompId labelCompId = atomSite.getLabelCompId(); + + Id id = atomSite.getId(); + LabelAtomId labelAtomId = atomSite.getLabelAtomId(); + + CartnX cartnX = atomSite.getCartnX(); + CartnY cartnY = atomSite.getCartnY(); + CartnZ cartnZ = atomSite.getCartnZ(); + + Occupancy occupancy = atomSite.getOccupancy(); + BIsoOrEquiv bIsoOrEquiv = atomSite.getBIsoOrEquiv(); + + LabelAltId labelAltId = atomSite.getLabelAltId(); + TypeSymbol typeSymbol = atomSite.getTypeSymbol(); + + PdbxPDBInsCode pdbxPDBInsCode = atomSite.getPdbxPDBInsCode(); + LabelSeqId labelSeqId = atomSite.getLabelSeqId(); + PdbxPDBModelNum pdbx_pdb_model_num = atomSite.getPdbxPDBModelNum(); + + for (int atomIndex = 0; atomIndex < atomSite.getRowCount(); atomIndex++) { + boolean startOfNewChain = false; + Character oneLetterCode = StructureTools.get1LetterCodeAmino(labelCompId.get(atomIndex)); + + boolean isHetAtmInFile = false; + if (!"ATOM".equals(groupPDB.get(atomIndex))) { + if (oneLetterCode != null && oneLetterCode.equals(StructureTools.UNKNOWN_GROUP_LABEL)) { + oneLetterCode = null; + } + + isHetAtmInFile = true; + } + + String insCodeString = pdbxPDBInsCode.get(atomIndex); + Character insCode = null; + if (insCodeString != null && !insCodeString.isEmpty() && !"?".equals(insCodeString)) { + insCode = insCodeString.charAt(0); + } + + // non polymer chains (ligands and small molecules) will have a label_seq_id set to '.' + long seqId = labelSeqId.get(atomIndex); + + String nmrModelNumber = pdbx_pdb_model_num.getStringData(atomIndex); + + if (currentNmrModelNumber == null) { + currentNmrModelNumber = nmrModelNumber; + } + if (!currentNmrModelNumber.equals(nmrModelNumber)) { + currentNmrModelNumber = nmrModelNumber; + + if (currentChain != null) { + currentChain.addGroup(currentGroup); + currentGroup.trimToSize(); + } + + allModels.add(currentModel); + currentModel = new ArrayList<>(); + currentChain = null; + currentGroup = null; + } + + String asymId = labelAsymId.get(atomIndex); + String authId = authAsymId.get(atomIndex); + if (currentChain == null) { + currentChain = new ChainImpl(); + currentChain.setName(authId); + currentChain.setId(asymId); + currentModel.add(currentChain); + startOfNewChain = true; + } + + if (!asymId.equals(currentChain.getId())) { + startOfNewChain = true; + + currentChain.addGroup(currentGroup); + + Optional testChain = currentModel.stream() + .filter(chain -> chain.getId().equals(asymId)) + .findFirst(); + + if (testChain.isPresent()) { + currentChain = testChain.get(); + } else { + currentChain = new ChainImpl(); + currentChain.setName(authId); + currentChain.setId(asymId); + } + + if (!currentModel.contains(currentChain)) { + currentModel.add(currentChain); + } + } + + ResidueNumber residueNumber = new ResidueNumber(authId, authSeqId.get(atomIndex), insCode); + + String recordName = groupPDB.get(atomIndex); + String compId = labelCompId.get(atomIndex); + if (currentGroup == null) { + currentGroup = createGroup(recordName, oneLetterCode, compId, seqId); + currentGroup.setResidueNumber(residueNumber); + currentGroup.setPDBName(compId); + currentGroup.setHetAtomInFile(isHetAtmInFile); + } + + Group altGroup = null; + String altLocation = labelAltId.get(atomIndex); + + if (startOfNewChain) { + currentGroup = createGroup(recordName, oneLetterCode, compId, seqId); + currentGroup.setResidueNumber(residueNumber); + currentGroup.setPDBName(compId); + currentGroup.setHetAtomInFile(isHetAtmInFile); + } else { + if (!residueNumber.equals(currentGroup.getResidueNumber())) { + currentChain.addGroup(currentGroup); + currentGroup.trimToSize(); + currentGroup = createGroup(recordName, oneLetterCode, compId, seqId); + currentGroup.setPDBName(compId); + currentGroup.setResidueNumber(residueNumber); + currentGroup.setHetAtomInFile(isHetAtmInFile); + } else { + if (altLocation != null && !altLocation.isEmpty() && !altLocation.equals(".")) { + altGroup = getAltLocGroup(recordName, altLocation.charAt(0), oneLetterCode, compId, seqId); + if (altGroup.getChain() == null) { + altGroup.setChain(currentChain); + } + } + } + } + + if (params.isParseCAOnly()) { + if (!labelAtomId.get(atomIndex).equals(StructureTools.CA_ATOM_NAME) && "C".equals(typeSymbol.get(atomIndex))) { + continue; + } + } + + Atom atom = new AtomImpl(); + + atom.setPDBserial(id.get(atomIndex)); + atom.setName(labelAtomId.get(atomIndex)); + + atom.setX(cartnX.get(atomIndex)); + atom.setY(cartnY.get(atomIndex)); + atom.setZ(cartnZ.get(atomIndex)); + + atom.setOccupancy((float) occupancy.get(atomIndex)); + atom.setTempFactor((float) bIsoOrEquiv.get(atomIndex)); + + if (altLocation == null || altLocation.isEmpty() || altLocation.equals(".")) { + atom.setAltLoc(' '); + } else { + atom.setAltLoc(altLocation.charAt(0)); + } + + String ts = typeSymbol.get(atomIndex); + try { + Element element = Element.valueOfIgnoreCase(ts); + atom.setElement(element); + } catch (IllegalArgumentException e) { + logger.info("Element {} was not recognised as a BioJava-known element, the element will be " + + "represented as the generic element {}", typeSymbol, Element.R.name()); + atom.setElement(Element.R); + } + + if (altGroup != null) { + altGroup.addAtom(atom); + } else { + currentGroup.addAtom(atom); + } + + String atomName = atom.getName(); + if (!currentGroup.hasAtom(atomName)) { + if (currentGroup.getPDBName().equals(atom.getGroup().getPDBName())) { + if (!StructureTools.hasNonDeuteratedEquiv(atom, currentGroup)) { + currentGroup.addAtom(atom); + } + } + } + } + } + + private Group getAltLocGroup(String recordName, Character altLoc, Character oneLetterCode, String threeLetterCode, + long seqId) { + List atoms = currentGroup.getAtoms(); + if (atoms.size() > 0) { + if (atoms.get(0).getAltLoc().equals(altLoc)) { + return currentGroup; + } + } + + List altLocs = currentGroup.getAltLocs(); + for (Group altLocGroup : altLocs) { + atoms = altLocGroup.getAtoms(); + if (atoms.size() > 0) { + for (Atom a1 : atoms) { + if (a1.getAltLoc().equals(altLoc)) { + return altLocGroup; + } + } + } + } + + if (threeLetterCode.equals(currentGroup.getPDBName())) { + if (currentGroup.getAtoms().isEmpty()) { + return currentGroup; + } + + Group altLocGroup = (Group) currentGroup.clone(); + altLocGroup.setAtoms(new ArrayList<>()); + altLocGroup.getAltLocs().clear(); + currentGroup.addAltLoc(altLocGroup); + return altLocGroup; + } + + Group altLocGroup = createGroup(recordName, oneLetterCode, threeLetterCode, seqId); + altLocGroup.setResidueNumber(currentGroup.getResidueNumber()); + currentGroup.addAltLoc(altLocGroup); + return altLocGroup; + } + + private Group createGroup(String record, Character oneLetterCode, String threeLetterCode, long seqId) { + Group group = ChemCompGroupFactory.getGroupFromChemCompDictionary(threeLetterCode); + if (group != null && !group.getChemComp().isEmpty()) { + if (group instanceof AminoAcidImpl) { + AminoAcidImpl aminoAcid = (AminoAcidImpl) group; + aminoAcid.setId(seqId); + } else if (group instanceof NucleotideImpl) { + NucleotideImpl nucleotide = (NucleotideImpl) group; + nucleotide.setId(seqId); + } else if (group instanceof HetatomImpl) { + HetatomImpl hetatom = (HetatomImpl) group; + hetatom.setId(seqId); + } + return group; + } + + if ("ATOM".equals(record)) { + if (StructureTools.isNucleotide(threeLetterCode)) { + NucleotideImpl nucleotide = new NucleotideImpl(); + group = nucleotide; + nucleotide.setId(seqId); + } else if (oneLetterCode == null || oneLetterCode == StructureTools.UNKNOWN_GROUP_LABEL) { + HetatomImpl hetatom = new HetatomImpl(); + group = hetatom; + hetatom.setId(seqId); + } else { + AminoAcidImpl aminoAcid = new AminoAcidImpl(); + group = aminoAcid; + aminoAcid.setAminoType(oneLetterCode); + aminoAcid.setId(seqId); + } + } else { + if (StructureTools.isNucleotide(threeLetterCode)) { + NucleotideImpl nucleotide = new NucleotideImpl(); + group = nucleotide; + nucleotide.setId(seqId); + } else if (oneLetterCode != null) { + AminoAcidImpl aminoAcid = new AminoAcidImpl(); + group = aminoAcid; + aminoAcid.setAminoType(oneLetterCode); + aminoAcid.setId(seqId); + } else { + HetatomImpl hetatom = new HetatomImpl(); + hetatom.setId(seqId); + group = hetatom; + } + } + return group; + } + + @Override + public void consumeAtomSites(AtomSites atomSites) { + try { + parsedScaleMatrix = new Matrix4d( + Double.parseDouble(atomSites.getColumn("fract_transf_matrix[1][1]").getStringData(0)), + Double.parseDouble(atomSites.getColumn("fract_transf_matrix[1][2]").getStringData(0)), + Double.parseDouble(atomSites.getColumn("fract_transf_matrix[1][3]").getStringData(0)), + Double.parseDouble(atomSites.getColumn("fract_transf_vector[1]").getStringData(0)), + + Double.parseDouble(atomSites.getColumn("fract_transf_matrix[2][1]").getStringData(0)), + Double.parseDouble(atomSites.getColumn("fract_transf_matrix[2][2]").getStringData(0)), + Double.parseDouble(atomSites.getColumn("fract_transf_matrix[2][3]").getStringData(0)), + Double.parseDouble(atomSites.getColumn("fract_transf_vector[2]").getStringData(0)), + + Double.parseDouble(atomSites.getColumn("fract_transf_matrix[3][1]").getStringData(0)), + Double.parseDouble(atomSites.getColumn("fract_transf_matrix[3][2]").getStringData(0)), + Double.parseDouble(atomSites.getColumn("fract_transf_matrix[3][3]").getStringData(0)), + Double.parseDouble(atomSites.getColumn("fract_transf_vector[3]").getStringData(0)), + + 0, + 0, + 0, + 1 + ); + } catch (NumberFormatException e) { + logger.warn("Some values in _atom_sites.fract_transf_matrix or _atom_sites.fract_transf_vector could not " + + "be parsed as numbers. Can't check whether coordinate frame convention is correct! Error: {}", + e.getMessage()); + structure.getPDBHeader().getCrystallographicInfo().setNonStandardCoordFrameConvention(false); + } + } + + @Override + public void consumeAuditAuthor(Category auditAuthor) { + for (int rowIndex = 0; rowIndex < auditAuthor.getRowCount(); rowIndex++) { + String name = auditAuthor.getColumn("name").getStringData(rowIndex); + + StringBuffer last = new StringBuffer(); + StringBuffer initials = new StringBuffer(); + boolean afterComma = false; + for (char c : name.toCharArray()) { + if (c == ' ') { + continue; + } + if (c == ',') { + afterComma = true; + continue; + } + + if (afterComma) { + initials.append(c); + } else { + last.append(c); + } + } + + StringBuilder newaa = new StringBuilder(); + newaa.append(initials); + newaa.append(last); + + String auth = pdbHeader.getAuthors(); + if (auth == null) { + pdbHeader.setAuthors(newaa.toString()); + } else { + auth += "," + newaa.toString(); + pdbHeader.setAuthors(auth); + } + } + } + + @Override + public void consumeCell(Cell cell) { + if (!cell.isDefined()) { + return; + } + + try { + float a = (float) cell.getLengthA().get(); + float b = (float) cell.getLengthB().get(); + float c = (float) cell.getLengthC().get(); + float alpha = (float) cell.getAngleAlpha().get(); + float beta = (float) cell.getAngleBeta().get(); + float gamma = (float) cell.getAngleGamma().get(); + + CrystalCell crystalCell = new CrystalCell(); + crystalCell.setA(a); + crystalCell.setB(b); + crystalCell.setC(c); + crystalCell.setAlpha(alpha); + crystalCell.setBeta(beta); + crystalCell.setGamma(gamma); + + if (!crystalCell.isCellReasonable()) { + // If the entry describes a structure determined by a technique other than X-ray crystallography, + // cell is (sometimes!) a = b = c = 1.0, alpha = beta = gamma = 90 degrees + // if so we don't add and CrystalCell will be null + logger.debug("The crystal cell read from file does not have reasonable dimensions (at least one " + + "dimension is below {}), discarding it.", CrystalCell.MIN_VALID_CELL_SIZE); + return; + } + + structure.getPDBHeader() + .getCrystallographicInfo() + .setCrystalCell(crystalCell); + + } catch (NumberFormatException e){ + structure.getPDBHeader() + .getCrystallographicInfo() + .setCrystalCell(null); + logger.info("could not parse some cell parameters ({}), ignoring _cell", e.getMessage()); + } + } + + @Override + public void consumeChemComp(ChemComp chemComp) { + // TODO not impled in ref + } + + @Override + public void consumeChemCompBond(ChemCompBond chemCompBond) { + // TODO not impled in ref + } + + @Override + public void consumeDatabasePDBremark(Category databasePDBremark) { + for (int rowIndex = 0; rowIndex < databasePDBremark.getRowCount(); rowIndex++) { + String id = databasePDBremark.getColumn("id").getStringData(rowIndex); + if ("2".equals(id)) { + String line = databasePDBremark.getColumn("text").getStringData(rowIndex); + int i = line.indexOf("ANGSTROM"); + + if (i > 5) { + // line contains ANGSTROM info... + String resolution = line.substring(i - 5, i).trim(); + // convert string to float + float res = 99; + try { + res = Float.parseFloat(resolution); + } catch (NumberFormatException e) { + logger.info("could not parse resolution from line and ignoring it {}", line); + return; + } + + pdbHeader.setResolution(res); + } + } + } + } + + @Override + public void consumeDatabasePDBrev(Category databasePDBrev) { + logger.debug("got a database revision:" + databasePDBrev); + + for (int rowIndex = 0; rowIndex < databasePDBrev.getRowCount(); rowIndex++) { + if ("1".equals(databasePDBrev.getColumn("num").getStringData(rowIndex))) { + String dateOriginal = databasePDBrev.getColumn("date_original").getStringData(rowIndex); + try { + Date dep = DATE_FORMAT.parse(dateOriginal); + pdbHeader.setDepDate(dep); + } catch (ParseException e){ + logger.warn("Could not parse date string '{}', deposition date will be unavailable", + dateOriginal); + } + + String date = databasePDBrev.getColumn("date").getStringData(rowIndex); + try { + Date rel = DATE_FORMAT.parse(date); + pdbHeader.setRelDate(rel); + } catch (ParseException e){ + logger.warn("Could not parse date string '{}', modification date will be unavailable", date); + } + } else { + String dbrev = databasePDBrev.getColumn("date").getStringData(rowIndex); + try { + Date mod = DATE_FORMAT.parse(dbrev); + pdbHeader.setModDate(mod); + } catch (ParseException e){ + logger.warn("Could not parse date string '{}', modification date will be unavailable", dbrev); + } + } + } + } + + @Override + public void consumeDatabasePDBrevRecord(Category databasePDBrevRecord) { + List revRecords = pdbHeader.getRevisionRecords(); + if (revRecords == null) { + revRecords = new ArrayList<>(); + pdbHeader.setRevisionRecords(revRecords); + } + + revRecords.addAll(convert(databasePDBrevRecord)); + } + + private List convert(Category databasePDBrevRecord) { + List revRecords = new ArrayList<>(); + for (int rowIndex = 0; rowIndex < databasePDBrevRecord.getRowCount(); rowIndex++) { + DatabasePdbrevRecord revRecord = new DatabasePdbrevRecord(); + revRecord.setDetails(databasePDBrevRecord.getColumn("details").getStringData(rowIndex)); + revRecord.setRev_num(databasePDBrevRecord.getColumn("rev_num").getStringData(rowIndex)); + revRecord.setType(databasePDBrevRecord.getColumn("type").getStringData(rowIndex)); + revRecords.add(revRecord); + } + return revRecords; + } + + @Override + public void consumeEntity(Entity entity) { + this.entity = entity; + } + + @Override + public void consumeEntityPoly(EntityPoly entityPoly) { + this.entityPoly = entityPoly; + } + + @Override + public void consumeEntitySrcGen(Category entitySrcGen) { + this.entitySrcGen = entitySrcGen; + } + + @Override + public void consumeEntitySrcNat(Category entitySrcNat) { + this.entitySrcNat = entitySrcNat; + } + + @Override + public void consumeEntitySrcSyn(Category entitySrcSyn) { + this.entitySrcSyn = entitySrcSyn; + } + + @Override + public void consumeEntityPolySeq(EntityPolySeq entityPolySeq) { + for (int rowIndex = 0; rowIndex < entityPolySeq.getRowCount(); rowIndex++) { + Chain entityChain = getEntityChain(entityPolySeq.getEntityId().get(rowIndex)); + + // first we check through the chemcomp provider, if it fails we do some heuristics to guess the type of group + // TODO some of this code is analogous to getNewGroup() and we should try to unify them - JD 2016-03-08 + + Group g = ChemCompGroupFactory.getGroupFromChemCompDictionary(entityPolySeq.getMonId().get(rowIndex)); + //int seqId = Integer.parseInt(entityPolySeq.getNum()); + if (g != null && !g.getChemComp().isEmpty()) { + if (g instanceof AminoAcidImpl) { + AminoAcidImpl aa = (AminoAcidImpl) g; + aa.setRecordType(AminoAcid.SEQRESRECORD); + } + } else { + if (entityPolySeq.getMonId().get(rowIndex).length() == 3 && + StructureTools.get1LetterCodeAmino(entityPolySeq.getMonId().get(rowIndex)) != null) { + AminoAcidImpl a = new AminoAcidImpl(); + a.setRecordType(AminoAcid.SEQRESRECORD); + Character code1 = StructureTools.get1LetterCodeAmino(entityPolySeq.getMonId().get(rowIndex)); + a.setAminoType(code1); + g = a; + + } else if (StructureTools.isNucleotide(entityPolySeq.getMonId().get(rowIndex))) { + // the group is actually a nucleotide group... + g = new NucleotideImpl(); + } else { + logger.debug("Residue {} {} is not a standard aminoacid or nucleotide, will create a het group " + + "for it", entityPolySeq.getNum().get(rowIndex), entityPolySeq.getMonId().get(rowIndex)); + g = new HetatomImpl(); + } + } + // at this stage we don't know about author residue numbers (insertion codes) + // we abuse now the ResidueNumber field setting the internal residue numbers (label_seq_id, strictly + // sequential and follow the seqres sequence 1 to n) + // later the actual ResidueNumbers (author residue numbers) have to be corrected in alignSeqRes() + g.setResidueNumber(ResidueNumber.fromString(entityPolySeq.getNum().getStringData(rowIndex))); + g.setPDBName(entityPolySeq.getMonId().get(rowIndex)); + entityChain.addGroup(g); + } + } + + private Chain getEntityChain(String entityId) { + for (Chain chain : entityChains) { + if (chain.getId().equals(entityId)) { + return chain; + } + } + + // does not exist yet, so create... + Chain chain = new ChainImpl(); + chain.setId(entityId); + entityChains.add(chain); + + return chain; + } + + @Override + public void consumeExptl(Exptl exptl) { + for (int rowIndex = 0; rowIndex < exptl.getRowCount(); rowIndex++) { + pdbHeader.setExperimentalTechnique(exptl.getMethod().get(rowIndex)); + } + } + + @Override + public void consumePdbxAuditRevisionHistory(Category pdbxAuditRevisionHistory) { + for (int rowIndex = 0; rowIndex < pdbxAuditRevisionHistory.getRowCount(); rowIndex++) { + // first entry in revision history is the release date + if ("1".equals(pdbxAuditRevisionHistory.getColumn("ordinal").getStringData(rowIndex))) { + String release = pdbxAuditRevisionHistory.getColumn("revision_date").getStringData(rowIndex); + try { + Date releaseDate = DATE_FORMAT.parse(release); + pdbHeader.setRelDate(releaseDate); + } catch (ParseException e){ + logger.warn("Could not parse date string '{}', release date will be unavailable", release); + } + } else { + // all other dates are revision dates; + // since this method may be called multiple times, + // the last revision date will "stick" + String revision = pdbxAuditRevisionHistory.getColumn("revision_date").getStringData(rowIndex); + try { + Date revisionDate = DATE_FORMAT.parse(revision); + pdbHeader.setModDate(revisionDate); + } catch (ParseException e){ + logger.warn("Could not parse date string '{}', revision date will be unavailable", revision); + } + } + } + } + + @Override + public void consumePdbxChemCompIdentifier(PdbxChemCompIdentifier pdbxChemCompIdentifier) { + // TODO not impled in ref + } + + @Override + public void consumePdbxDatabaseStatus(Category pdbxDatabaseStatus) { + for (int rowIndex = 0; rowIndex < pdbxDatabaseStatus.getRowCount(); rowIndex++) { + // the deposition date field is only available in mmCIF 5.0 + Column col = pdbxDatabaseStatus.getColumn("recvd_initial_deposition_date"); + if (col.isDefined()) { + String deposition = col.getStringData(rowIndex); + + try { + Date depositionDate = DATE_FORMAT.parse(deposition); + pdbHeader.setDepDate(depositionDate); + } catch (ParseException e) { + logger.warn("Could not parse date string '{}', deposition date will be unavailable", deposition); + } + } + } + } + + @Override + public void consumePdbxEntityDescriptor(PdbxEntityDescriptor pdbxEntityDescriptor) { + // TODO not considered in ref + } + + @Override + public void consumePdbxMolecule(PdbxMolecule pdbxMolecule) { + // TODO not considered in ref + } + + @Override + public void consumePdbxMoleculeFeatures(PdbxMoleculeFeatures pdbxMoleculeFeatures) { + // TODO not considered in ref + } + + @Override + public void consumePdbxNonpolyScheme(PdbxNonpolyScheme pdbxNonpolyScheme) { + // TODO not impled in ref + } + + @Override + public void consumePdbxReferenceEntityLink(PdbxReferenceEntityLink pdbxReferenceEntityLink) { + // TODO not considered in ref + } + + @Override + public void consumePdbxReferenceEntityList(PdbxReferenceEntityList pdbxReferenceEntityList) { + // TODO not considered in ref + } + + @Override + public void consumePdbxReferenceEntityPolyLink(PdbxReferenceEntityPolyLink pdbxReferenceEntityPolyLink) { + // TODO not considered in ref + } + + @Override + public void consumePdbxStructAssembly(PdbxStructAssembly pdbxStructAssembly) { + this.structAssembly = pdbxStructAssembly; + } + + @Override + public void consumePdbxStructAssemblyGen(PdbxStructAssemblyGen pdbxStructAssemblyGen) { + this.structAssemblyGen = pdbxStructAssemblyGen; + } + + @Override + public void consumePdbxStructModResidue(PdbxStructModResidue pdbxStructModResidue) { + // TODO not considered in ref + } + + @Override + public void consumePdbxStructOperList(PdbxStructOperList pdbxStructOperList) { + this.structOpers = pdbxStructOperList; + } + + @Override + public void consumeRefine(Category refine) { + for (int rowIndex = 0; rowIndex < refine.getRowCount(); rowIndex++) { + // RESOLUTION + // in very rare cases (for instance hybrid methods x-ray + neutron diffraction, e.g. 3ins, 4n9m) + // there are 2 resolution values, one for each method + // we take the last one found so that behaviour is like in PDB file parsing + String lsDResHigh = refine.getColumn("ls_d_res_high").getStringData(rowIndex); + if (pdbHeader.getResolution() != PDBHeader.DEFAULT_RESOLUTION) { + logger.warn("More than 1 resolution value present, will use last one {} and discard previous {}", + lsDResHigh, String.format("%4.2f",pdbHeader.getResolution())); + } + try { + pdbHeader.setResolution(Float.parseFloat(lsDResHigh)); + } catch (NumberFormatException e) { + logger.info("Could not parse resolution from {} {}", lsDResHigh, e.getMessage()); + } + + String lsRFactorRFree = refine.getColumn("ls_R_factor_R_free").getStringData(rowIndex); + // RFREE + if (pdbHeader.getRfree() != PDBHeader.DEFAULT_RFREE) { + logger.warn("More than 1 Rfree value present, will use last one {} and discard previous {}", + lsRFactorRFree, String.format("%4.2f",pdbHeader.getRfree())); + } + if (lsRFactorRFree.isEmpty()) { + // some entries like 2ifo haven't got this field at all + logger.info("_refine.ls_R_factor_R_free not present, not parsing Rfree value"); + } else { + try { + pdbHeader.setRfree(Float.parseFloat(lsRFactorRFree)); + } catch (NumberFormatException e) { + // no rfree present ('?') is very usual, that's why we set it to debug + logger.debug("Could not parse Rfree from string '{}'", lsRFactorRFree); + } + } + + // RWORK + String lsRFactorRWork = refine.getColumn("ls_R_factor_R_work").getStringData(rowIndex); + if(pdbHeader.getRwork() != PDBHeader.DEFAULT_RFREE) { + logger.warn("More than 1 R work value present, will use last one {} and discard previous {} ", + lsRFactorRWork, String.format("%4.2f",pdbHeader.getRwork())); + } + if (lsRFactorRWork.isEmpty()) { + logger.info("_refine.ls_R_factor_R_work not present, not parsing R-work value"); + } else { + try { + pdbHeader.setRwork(Float.parseFloat(lsRFactorRWork)); + } catch (NumberFormatException e) { + logger.debug("Could not parse R-work from string '{}'", lsRFactorRWork); + } + } + } + } + + @Override + public void consumeStruct(Struct struct) { + pdbHeader.setTitle(struct.getTitle().get()); + pdbHeader.setIdCode(struct.getEntryId().get()); + } + + @Override + public void consumeStructAsym(StructAsym structAsym) { + this.structAsym = structAsym; + } + + @Override + public void consumeStructConf(StructConf structConf) { + // TODO not considered in ref + } + + @Override + public void consumeStructConn(StructConn structConn) { + this.structConn = structConn; + } + + @Override + public void consumeStructConnType(StructConnType structConnType) { + // TODO not considered in ref + } + + @Override + public void consumeStructKeywords(StructKeywords structKeywords) { + PdbxKeywords pdbxKeywords = structKeywords.getPdbxKeywords(); + pdbHeader.setDescription(pdbxKeywords.values().collect(Collectors.joining(", "))); + pdbHeader.setClassification(pdbxKeywords.values().collect(Collectors.joining(", "))); + } + + @Override + public void consumeStructNcsOper(StructNcsOper structNcsOper) { + this.structNcsOper = structNcsOper; + } + + @Override + public void consumeStructRef(Category structRef) { + this.structRef = structRef; + } + + @Override + public void consumeStructRefSeq(Category structRefSeq) { + for (int rowIndex = 0; rowIndex < structRefSeq.getRowCount(); rowIndex++) { + String refId = structRefSeq.getColumn("ref_id").getStringData(rowIndex); + + DBRef dbRef = new DBRef(); + + dbRef.setIdCode(structRefSeq.getColumn("pdbx_PDB_id_code").getStringData(rowIndex)); + dbRef.setDbAccession(structRefSeq.getColumn("pdbx_db_accession").getStringData(rowIndex)); + dbRef.setDbIdCode(structRefSeq.getColumn("pdbx_db_accession").getStringData(rowIndex)); + dbRef.setChainName(structRefSeq.getColumn("pdbx_strand_id").getStringData(rowIndex)); + + OptionalInt structRefRowIndex = IntStream.range(0, structRef.getRowCount()) + .filter(i -> structRef.getColumn("id").getStringData(i).equals(refId)) + .findFirst(); + + if (structRefRowIndex.isPresent()) { + dbRef.setDatabase(structRef.getColumn("db_name").getStringData(structRefRowIndex.getAsInt())); + dbRef.setDbIdCode(structRef.getColumn("db_code").getStringData(structRefRowIndex.getAsInt())); + } else { + logger.info("could not find StructRef `{} for StructRefSeq {}", refId, rowIndex); + } + + int seqBegin; + int seqEnd; + + try { + seqBegin = Integer.parseInt(structRefSeq.getColumn("pdbx_auth_seq_align_beg").getStringData(rowIndex)); + seqEnd = Integer.parseInt(structRefSeq.getColumn("pdbx_auth_seq_align_end").getStringData(rowIndex)); + } catch (NumberFormatException e) { + // this happens in a few entries, annotation error? e.g. 6eoj + logger.warn("Couldn't parse pdbx_auth_seq_align_beg/end in _struct_ref_seq. Will not store dbref " + + "alignment info for accession {}. Error: {}", dbRef.getDbAccession(), e.getMessage()); + return; + } + + Character beginInsCode = ' '; + String pdbxSeqAlignBegInsCode = structRefSeq.getColumn("pdbx_seq_align_beg_ins_code").getStringData(rowIndex); + if (pdbxSeqAlignBegInsCode.length() > 0) { + beginInsCode = pdbxSeqAlignBegInsCode.charAt(0); + } + + Character endInsCode = ' '; + String pdbxSeqAlignEndInsCode = structRefSeq.getColumn("pdbx_seq_align_end_ins_code").getStringData(rowIndex); + if (pdbxSeqAlignEndInsCode.length() > 0) { + endInsCode = pdbxSeqAlignEndInsCode.charAt(0); + } + + if (beginInsCode == '?') { + beginInsCode = ' '; + } + if (endInsCode == '?') { + endInsCode = ' '; + } + + dbRef.setSeqBegin(seqBegin); + dbRef.setInsertBegin(beginInsCode); + dbRef.setSeqEnd(seqEnd); + dbRef.setInsertEnd(endInsCode); + + int dbSeqBegin = Integer.parseInt(structRefSeq.getColumn("db_align_beg").getStringData(rowIndex)); + int dbSeqEnd = Integer.parseInt(structRefSeq.getColumn("db_align_end").getStringData(rowIndex)); + + Character dbBeginInsCode = ' '; + Column pdbxDbAlignBegInsCodeCol = structRefSeq.getColumn("pdbx_db_align_beg_ins_code"); + if (pdbxDbAlignBegInsCodeCol.isDefined()) { + String pdbxDbAlignBegInsCode = pdbxDbAlignBegInsCodeCol.getStringData(rowIndex); + if (pdbxDbAlignBegInsCode.length() > 0) { + dbBeginInsCode = pdbxDbAlignBegInsCode.charAt(0); + } + } + + Character dbEndInsCode = ' '; + Column pdbxDbAlignEndInsCodeCol = structRefSeq.getColumn("pdbx_db_align_end_ins_code"); + if (pdbxDbAlignEndInsCodeCol.isDefined()) { + String pdbxDbAlignEndInsCode = pdbxDbAlignEndInsCodeCol.getStringData(rowIndex); + if (pdbxDbAlignEndInsCode.length() > 0) { + dbEndInsCode = pdbxDbAlignEndInsCode.charAt(0); + } + } + + if (dbBeginInsCode == '?') { + dbBeginInsCode = ' '; + } + if (dbEndInsCode == '?') { + dbEndInsCode = ' '; + } + + dbRef.setDbSeqBegin(dbSeqBegin); + dbRef.setIdbnsBegin(dbBeginInsCode); + dbRef.setDbSeqEnd(dbSeqEnd); + dbRef.setIdbnsEnd(dbEndInsCode); + + List dbrefs = structure.getDBRefs(); + if (dbrefs == null) { + dbrefs = new ArrayList<>(); + } + dbrefs.add(dbRef); + + logger.debug(dbRef.toPDB()); + + structure.setDBRefs(dbrefs); + } + } + + @Override + public void consumeStructRefSeqDif(Category structRefSeqDif) { + this.structRefSeqDif = structRefSeqDif; + } + + @Override + public void consumeStructSheetRange(StructSheetRange structSheetRange) { + // TODO not considered in ref + } + + @Override + public void consumeStructSite(StructSite structSite) { + if (params.isHeaderOnly()) { + return; + } + + List sites = structure.getSites(); + if (sites == null) { + sites = new ArrayList<>(); + } + + for (int rowIndex = 0; rowIndex < structSite.getRowCount(); rowIndex++) { + Site site = null; + for (Site asite : sites) { + if (asite.getSiteID().equals(structSite.getId().get(rowIndex))) { + site = asite; // prevent duplicate siteIds + } + } + + boolean addSite = false; + if (site == null) { + site = new Site(); + addSite = true; + } + + site.setSiteID(structSite.getId().get(rowIndex)); + site.setDescription(structSite.getDetails().get(rowIndex)); + site.setEvCode(structSite.getPdbxEvidenceCode().get(rowIndex)); + + if (addSite) { + sites.add(site); + } + } + + structure.setSites(sites); + } + + @Override + public void consumeStructSiteGen(StructSiteGen structSiteGen) { + this.structSiteGen = structSiteGen; + } + + @Override + public void consumeSymmetry(Symmetry symmetry) { + for (int rowIndex = 0; rowIndex < symmetry.getRowCount(); rowIndex++) { + String spaceGroupString = symmetry.getSpaceGroupNameH_M().get(rowIndex); + SpaceGroup spaceGroup = SymoplibParser.getSpaceGroup(spaceGroupString); + if (spaceGroup == null) { + logger.warn("Space group '{}' not recognised as a standard space group", spaceGroupString); + structure.getPDBHeader() + .getCrystallographicInfo() + .setNonStandardSg(true); + } else { + structure.getPDBHeader() + .getCrystallographicInfo() + .setSpaceGroup(spaceGroup); + structure.getPDBHeader() + .getCrystallographicInfo() + .setNonStandardSg(false); + } + } + } + + @Override + public void finish() { + if (currentChain != null) { + currentChain.addGroup(currentGroup); + + Optional testChain = currentModel.stream() + .filter(chain -> chain.getId().equals(currentChain.getId())) + .findFirst(); + + if (!testChain.isPresent()) { + currentModel.add(currentChain); + } + } else if (!params.isHeaderOnly()) { + logger.warn("current chain is null at end of document."); + } + + allModels.add(currentModel); + + initMaps(); + + for (int rowIndex = 0; rowIndex < structAsym.getRowCount(); rowIndex++) { + String id = structAsym.getId().get(rowIndex); + String entityId = structAsym.getEntityId().get(rowIndex); + logger.debug("Entity {} matches asym_id: {}", entityId, id); + + Chain chain = getEntityChain(entityId); + Chain seqRes = (Chain) chain.clone(); + // to solve issue #160 (e.g. 3u7t) + seqRes = removeSeqResHeterogeneity(seqRes); + seqRes.setId(id); + seqRes.setName(asymId2authorId.getOrDefault(id, id)); + + EntityType type = EntityType.entityTypeFromString(getEntityType(entityId)); + if (type == null || type == EntityType.POLYMER) { + seqResChains.add(seqRes); + } + + logger.debug(" seqres: {} {}<", id, seqRes); + addEntity(rowIndex, entityId, getEntityDescription(entityId), getEntityType(entityId)); + } + + if (!structAsym.isDefined() || structAsym.getRowCount() == 0) { + logger.warn("No _struct_asym category in file, no SEQRES groups will be added."); + } + + // entities + // In addEntities above we created the entities if they were present in the file + // Now we need to make sure that they are linked to chains and also that if they are not present in the file we + // need to add them now + linkEntities(); + + // now that we know the entities, we can add all chains to structure so that they are stored + // properly as polymer/nonpolymer/water chains inside structure + allModels.forEach(structure::addModel); + + // Only align if requested (default) and not when headerOnly mode with no Atoms. + // Otherwise, we store the empty SeqRes Groups unchanged in the right chains. + if (params.isAlignSeqRes() && !params.isHeaderOnly()){ + logger.debug("Parsing mode align_seqres, will parse SEQRES and align to ATOM sequence"); + alignSeqRes(); + } else { + logger.debug("Parsing mode unalign_seqres, will parse SEQRES but not align it to ATOM sequence"); + SeqRes2AtomAligner.storeUnAlignedSeqRes(structure, seqResChains, params.isHeaderOnly()); + } + + // Now make sure all altlocgroups have all the atoms in all the groups + StructureTools.cleanUpAltLocs(structure); + + // NOTE bonds and charges can only be done at this point that the chain id mapping is properly sorted out + if (!params.isHeaderOnly()) { + if (params.shouldCreateAtomBonds()) { + addBonds(); + } + + if (params.shouldCreateAtomCharges()) { + addCharges(); + } + } + + if (!params.isHeaderOnly()) { + addSites(); + } + + // set the oligomeric state info in the header... + if (params.isParseBioAssembly()) { + // the more detailed mapping of chains to rotation operations happens in StructureIO... + + Map bioAssemblies = new LinkedHashMap<>(); + List structAssemblies = convert(structAssembly); + List structAssemblyGens = convert(structAssemblyGen); + + for (org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssembly pdbxStructAssembly : structAssemblies) { + List pdbxStructAssemblyGens = structAssemblyGens.stream() + .filter(sag -> sag.getAssembly_id().equals(pdbxStructAssembly.getId())) + .collect(Collectors.toList()); + + BiologicalAssemblyBuilder builder = new BiologicalAssemblyBuilder(); + + // these are the transformations that need to be applied to our model + List transformations = builder.getBioUnitTransformationList(pdbxStructAssembly, + pdbxStructAssemblyGens, convert(structOpers)); + + int bioAssemblyId = -1; + try { + bioAssemblyId = Integer.parseInt(pdbxStructAssembly.getId()); + } catch (NumberFormatException e) { + logger.info("Could not parse a numerical bio assembly id from '{}'", pdbxStructAssembly.getId()); + } + + // if bioassembly id is not numerical we throw it away + // this happens usually for viral capsid entries, like 1ei7 + // see issue #230 in github + if (bioAssemblyId != -1) { + int mmSize = 0; + // note that the transforms contain asym ids of both polymers and non-polymers + // For the mmsize, we are only interested in the polymers + for (BiologicalAssemblyTransformation transf : transformations) { + Chain c = structure.getChain(transf.getChainId()); + if (c == null) { + logger.info("Could not find asym id {} specified in struct_assembly_gen", transf.getChainId()); + continue; + } + if (c.getEntityType() == EntityType.POLYMER && + // for entries like 4kro, sugars are annotated as polymers but we + // don't want them in the macromolecularSize count + !c.getEntityInfo().getDescription().contains("SUGAR")) { + mmSize++; + } + } + + BioAssemblyInfo bioAssembly = new BioAssemblyInfo(); + bioAssembly.setId(bioAssemblyId); + bioAssembly.setMacromolecularSize(mmSize); + bioAssembly.setTransforms(transformations); + bioAssemblies.put(bioAssemblyId, bioAssembly); + } + + } + structure.getPDBHeader() + .setBioAssemblies(bioAssemblies); + } + + setStructNcsOps(); + setCrystallographicInfoMetadata(); + + Map> misMatchMap = new HashMap<>(); + for (int rowIndex = 0; rowIndex < structRefSeqDif.getRowCount(); rowIndex++) { + SeqMisMatch seqMisMatch = new SeqMisMatchImpl(); + seqMisMatch.setDetails(structRefSeqDif.getColumn("details").getStringData(rowIndex)); + + String insCode = structRefSeqDif.getColumn("pdbx_pdb_ins_code").getStringData(rowIndex); + if (insCode != null && insCode.equals("?")) { + insCode = null; + } + seqMisMatch.setInsCode(insCode); + seqMisMatch.setOrigGroup(structRefSeqDif.getColumn("db_mon_id").getStringData(rowIndex)); + seqMisMatch.setPdbGroup(structRefSeqDif.getColumn("mon_id").getStringData(rowIndex)); + seqMisMatch.setPdbResNum(structRefSeqDif.getColumn("pdbx_auth_seq_num").getStringData(rowIndex)); + seqMisMatch.setUniProtId(structRefSeqDif.getColumn("pdbx_seq_db_accession_code").getStringData(rowIndex)); + seqMisMatch.setSeqNum(Integer.parseInt(structRefSeqDif.getColumn("seq_num").getStringData(rowIndex))); + + String strandId = structRefSeqDif.getColumn("pdbx_pdb_strand_id").getStringData(rowIndex); + List seqMisMatches = misMatchMap.computeIfAbsent(strandId, k -> new ArrayList<>()); + seqMisMatches.add(seqMisMatch); + } + + for (String chainId : misMatchMap.keySet()){ + Chain chain = structure.getPolyChainByPDB(chainId); + if (chain == null) { + logger.warn("Could not set mismatches for chain with author id {}", chainId); + continue; + } + + chain.setSeqMisMatches(misMatchMap.get(chainId)); + } + } + + private String getEntityType(String entityId) { + return IntStream.range(0, entity.getRowCount()) + .filter(i -> entity.getId().get(i).equals(entityId)) + .mapToObj(i -> entity.getType().get(i)) + .findFirst() + .get(); + } + + private String getEntityDescription(String entityId) { + return IntStream.range(0, entity.getRowCount()) + .filter(i -> entity.getId().get(i).equals(entityId)) + .mapToObj(i -> entity.getPdbxDescription().get(i)) + .findFirst() + .get(); + } + + private void addEntity(int asymRowIndex, String entityId, String pdbxDescription, String type) { + int eId = 0; + try { + eId = Integer.parseInt(entityId); + } catch (NumberFormatException e) { + logger.warn("Could not parse mol_id from string {}. Will use 0 for creating Entity", entityId); + } + + int entityRowIndex = IntStream.range(0, entity.getRowCount()) + .filter(i -> entity.getId().get(i).equals(entityId)) + .findFirst() + .orElse(-1); + + EntityInfo entityInfo = structure.getEntityById(eId); + + if (entityInfo == null) { + entityInfo = new EntityInfo(); + entityInfo.setMolId(eId); + // we only add the compound if a polymeric one (to match what the PDB parser does) + if (entityRowIndex != -1) { + entityInfo.setDescription(pdbxDescription); + + EntityType eType = EntityType.entityTypeFromString(type); + if (eType != null) { + entityInfo.setType(eType); + } else { + logger.warn("Type '{}' is not recognised as a valid entity type for entity {}", type, eId); + } + addAncilliaryEntityData(asymRowIndex, entityInfo); + structure.addEntityInfo(entityInfo); + logger.debug("Adding Entity with entity id {} from _entity, with name: {}", eId, + entityInfo.getDescription()); + } + } + } + + private void addAncilliaryEntityData(int asymRowIndex, EntityInfo entityInfo) { + // Loop through each of the entity types and add the corresponding data + // We're assuming if data is duplicated between sources it is consistent + // This is a potentially huge assumption... + + for (int rowIndex = 0; rowIndex < entitySrcGen.getRowCount(); rowIndex++) { + if (entitySrcGen.getColumn("entity_id").getStringData(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { + continue; + } + + addInformationFromEntitySrcGen(rowIndex, entityInfo); + } + + for (int rowIndex = 0; rowIndex < entitySrcNat.getRowCount(); rowIndex++) { + if (entitySrcNat.getColumn("entity_id").getStringData(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { + continue; + } + + addInformationFromEntitySrcNat(rowIndex, entityInfo); + } + + for (int rowIndex = 0; rowIndex < entitySrcSyn.getRowCount(); rowIndex++) { + if (entitySrcSyn.getColumn("entity_id").getStringData(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { + continue; + } + + addInformationFromEntitySrcSyn(rowIndex, entityInfo); + } + } + + private void addInformationFromEntitySrcSyn(int rowIndex, EntityInfo entityInfo) { + entityInfo.setOrganismCommon(entitySrcSyn.getColumn("organism_common_name").getStringData(rowIndex)); + entityInfo.setOrganismScientific(entitySrcSyn.getColumn("organism_scientific").getStringData(rowIndex)); + entityInfo.setOrganismTaxId(entitySrcSyn.getColumn("ncbi_taxonomy_id").getStringData(rowIndex)); + } + + private void addInformationFromEntitySrcNat(int rowIndex, EntityInfo entityInfo) { + entityInfo.setAtcc(entitySrcNat.getColumn("pdbx_atcc").getStringData(rowIndex)); + entityInfo.setCell(entitySrcNat.getColumn("pdbx_cell").getStringData(rowIndex)); + entityInfo.setOrganismCommon(entitySrcNat.getColumn("common_name").getStringData(rowIndex)); + entityInfo.setOrganismScientific(entitySrcNat.getColumn("pdbx_organism_scientific").getStringData(rowIndex)); + entityInfo.setOrganismTaxId(entitySrcNat.getColumn("pdbx_ncbi_taxonomy_id").getStringData(rowIndex)); + } + + private void addInformationFromEntitySrcGen(int rowIndex, EntityInfo entityInfo) { + entityInfo.setAtcc(entitySrcGen.getColumn("pdbx_gene_src_atcc").getStringData(rowIndex)); + entityInfo.setCell(entitySrcGen.getColumn("pdbx_gene_src_cell").getStringData(rowIndex)); + entityInfo.setOrganismCommon(entitySrcGen.getColumn("gene_src_common_name").getStringData(rowIndex)); + entityInfo.setOrganismScientific(entitySrcGen.getColumn("pdbx_gene_src_scientific_name").getStringData(rowIndex)); + entityInfo.setOrganismTaxId(entitySrcGen.getColumn("pdbx_gene_src_ncbi_taxonomy_id").getStringData(rowIndex)); + entityInfo.setExpressionSystemTaxId(entitySrcGen.getColumn("pdbx_host_org_ncbi_taxonomy_id").getStringData(rowIndex)); + entityInfo.setExpressionSystem(entitySrcGen.getColumn("pdbx_host_org_scientific_name").getStringData(rowIndex)); + } + + private void setStructNcsOps() { + List ncsOperators = new ArrayList<>(); + + for (int rowIndex = 0; rowIndex < structNcsOper.getRowCount(); rowIndex++) { + if (!"generate".equals(structNcsOper.getCode().get(rowIndex))) { + continue; + } + + try { + Matrix4d operator = new Matrix4d(); + + operator.setElement(0, 0, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9))); + operator.setElement(0, 1, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 1))); + operator.setElement(0, 2, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 2))); + + operator.setElement(1, 0, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 3))); + operator.setElement(1, 1, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 4))); + operator.setElement(1, 2, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 5))); + + operator.setElement(2, 0, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 6))); + operator.setElement(2, 1, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 7))); + operator.setElement(2, 2, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 8))); + + operator.setElement(3, 0, 0); + operator.setElement(3, 1, 0); + operator.setElement(3, 2, 0); + operator.setElement(3, 3, 1); + + ncsOperators.add(operator); + } catch (NumberFormatException e) { + logger.warn("Error parsing doubles in NCS operator list, skipping operator {}", rowIndex + 1); + } + } + + if (ncsOperators.size() > 0) { + structure.getCrystallographicInfo() + .setNcsOperators(ncsOperators.toArray(new Matrix4d[0])); + } + } + + private List convert(PdbxStructOperList structOpers) { + List re = new ArrayList<>(); + for (int rowIndex = 0; rowIndex < structOpers.getRowCount(); rowIndex++) { + org.biojava.nbio.structure.io.mmcif.model.PdbxStructOperList pdbxStructOperList = + new org.biojava.nbio.structure.io.mmcif.model.PdbxStructOperList(); + + pdbxStructOperList.setId(structOpers.getId().get(rowIndex)); + pdbxStructOperList.setName(structOpers.getName().get(rowIndex)); + pdbxStructOperList.setSymmetry_operation(structOpers.getSymmetryOperation().get(rowIndex)); + pdbxStructOperList.setType(structOpers.getType().get(rowIndex)); + + pdbxStructOperList.setMatrix11(structOpers.getMatrix().get(rowIndex * 9)); + pdbxStructOperList.setMatrix12(structOpers.getMatrix().get(rowIndex * 9 + 1)); + pdbxStructOperList.setMatrix13(structOpers.getMatrix().get(rowIndex * 9 + 2)); + pdbxStructOperList.setMatrix21(structOpers.getMatrix().get(rowIndex * 9 + 3)); + pdbxStructOperList.setMatrix22(structOpers.getMatrix().get(rowIndex * 9 + 4)); + pdbxStructOperList.setMatrix23(structOpers.getMatrix().get(rowIndex * 9 + 5)); + pdbxStructOperList.setMatrix31(structOpers.getMatrix().get(rowIndex * 9 + 6)); + pdbxStructOperList.setMatrix32(structOpers.getMatrix().get(rowIndex * 9 + 7)); + pdbxStructOperList.setMatrix33(structOpers.getMatrix().get(rowIndex * 9 + 8)); + + pdbxStructOperList.setVector1(structOpers.getVector().get(rowIndex * 3)); + pdbxStructOperList.setVector2(structOpers.getVector().get(rowIndex * 3 + 1)); + pdbxStructOperList.setVector3(structOpers.getVector().get(rowIndex * 3 + 2)); + // TODO function to convert Matrix into Matrix + + re.add(pdbxStructOperList); + } + return re; + } + + private List convert(PdbxStructAssemblyGen structAssemblyGen) { + List re = new ArrayList<>(); + for (int rowIndex = 0; rowIndex < structAssemblyGen.getRowCount(); rowIndex++) { + org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssemblyGen pdbxStructAssemblyGen = + new org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssemblyGen(); + + pdbxStructAssemblyGen.setAssembly_id(structAssemblyGen.getAssemblyId().get(rowIndex)); + pdbxStructAssemblyGen.setAsym_id_list(structAssemblyGen.getAsymIdList().get(rowIndex)); + pdbxStructAssemblyGen.setOper_expression(structAssemblyGen.getOperExpression().get(rowIndex)); + + re.add(pdbxStructAssemblyGen); + } + return re; + } + + private List convert(PdbxStructAssembly structAssembly) { + List re = new ArrayList<>(); + for (int rowIndex = 0; rowIndex < structAssembly.getRowCount(); rowIndex++) { + org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssembly pdbxStructAssembly = + new org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssembly(); + + pdbxStructAssembly.setDetails(structAssembly.getDetails().get(rowIndex)); + pdbxStructAssembly.setId(structAssembly.getId().get(rowIndex)); + pdbxStructAssembly.setMethod_details(structAssembly.getMethodDetails().get(rowIndex)); + pdbxStructAssembly.setOligomeric_count(structAssembly.getOligomericCount().getStringData(rowIndex)); + pdbxStructAssembly.setOligomeric_details(structAssembly.getOligomericDetails().get(rowIndex)); + + re.add(pdbxStructAssembly); + } + return re; + } + + private void setCrystallographicInfoMetadata() { + if (parsedScaleMatrix != null) { + PDBCrystallographicInfo crystalInfo = structure.getCrystallographicInfo(); + boolean nonStd = false; + if (crystalInfo.getCrystalCell() != null && !crystalInfo.getCrystalCell().checkScaleMatrix(parsedScaleMatrix)) { + nonStd = true; + } + + crystalInfo.setNonStandardCoordFrameConvention(nonStd); + } + } + + private void addSites() { + List sites = structure.getSites(); + if (sites == null) sites = new ArrayList<>(); + + for (int rowIndex = 0; rowIndex < structSiteGen.getRowCount(); rowIndex++) { + // For each StructSiteGen, find the residues involved, if they exist then + String site_id = structSiteGen.getSiteId().get(rowIndex); // multiple could be in same site. + if (site_id == null) { + site_id = ""; + } + String comp_id = structSiteGen.getLabelCompId().get(rowIndex); // PDBName + + // Assumption: the author chain ID and residue number for the site is consistent with the original + // author chain id and residue numbers. + + String asymId = structSiteGen.getLabelAsymId().get(rowIndex); // chain name + String authId = structSiteGen.getAuthAsymId().get(rowIndex); // chain Id + String auth_seq_id = structSiteGen.getAuthSeqId().get(rowIndex); // Res num + + String insCode = structSiteGen.getPdbxAuthInsCode().get(rowIndex); + if (insCode != null && insCode.equals("?")) { + insCode = null; + } + + // Look for asymID = chainID and seqID = seq_ID. Check that comp_id matches the resname. + Group g = null; + try { + Chain chain = structure.getChain(asymId); + + if (null != chain) { + try { + Character insChar = null; + if (null != insCode && insCode.length() > 0) { + insChar = insCode.charAt(0); + } + g = chain.getGroupByPDB(new ResidueNumber(null, Integer.parseInt(auth_seq_id), insChar)); + } catch (NumberFormatException e) { + logger.warn("Could not lookup residue : {}{}", authId, auth_seq_id); + } + } + } catch (StructureException e) { + logger.warn("Problem finding residue in site entry {} - {}", + structSiteGen.getSiteId().get(rowIndex), e.getMessage(), e.getMessage()); + } + + if (g != null) { + // 2. find the site_id, if not existing, create anew. + Site site = null; + for (Site asite : sites) { + if (site_id.equals(asite.getSiteID())) { + site = asite; + } + } + + boolean addSite = false; + + // 3. add this residue to the site. + if (site == null) { + addSite = true; + site = new Site(); + site.setSiteID(site_id); + } + + List groups = site.getGroups(); + if (groups == null) { + groups = new ArrayList<>(); + } + + // Check the self-consistency of the residue reference from auth_seq_id and chain_id + if (!comp_id.equals(g.getPDBName())) { + logger.warn("comp_id doesn't match the residue at {} {} - skipping", authId, auth_seq_id); + } else { + groups.add(g); + site.setGroups(groups); + } + if (addSite) { + sites.add(site); + } + } + } + structure.setSites(sites); + } + + private void addCharges() { + ChargeAdder.addCharges(structure); + } + + /** + * The method will return a new reference to a Chain with any consecutive groups + * having same residue numbers removed. + * This is necessary to solve the microheterogeneity issue in entries like 3u7t (see github issue #160) + */ + private static Chain removeSeqResHeterogeneity(Chain c) { + Chain trimmedChain = new ChainImpl(); + ResidueNumber lastResNum = null; + + for (Group g : c.getAtomGroups()) { + // note we have to deep copy this, otherwise they stay linked and would get altered in addGroup(g) + ResidueNumber currentResNum = new ResidueNumber( + g.getResidueNumber().getChainName(), + g.getResidueNumber().getSeqNum(), + g.getResidueNumber().getInsCode()); + + if (lastResNum == null || !lastResNum.equals(currentResNum)) { + trimmedChain.addGroup(g); + } else { + logger.debug("Removing seqres group because it seems to be repeated in entity_poly_seq, most likely " + + "has hetero='y': {}", g); + } + lastResNum = currentResNum; + + } + return trimmedChain; + } + + private void addBonds() { + BondMaker maker = new BondMaker(structure, params); + maker.makeBonds(); + maker.formBondsFromStructConn(convert(structConn)); + } + + private List convert(StructConn structConn) { + return IntStream.range(0, structConn.getRowCount()) + .mapToObj(rowIndex -> { + org.biojava.nbio.structure.io.mmcif.model.StructConn sc = + new org.biojava.nbio.structure.io.mmcif.model.StructConn(); + + sc.setPdbx_ptnr1_PDB_ins_code(structConn.getPdbxPtnr1PDBInsCode().get(rowIndex)); + sc.setPdbx_ptnr2_PDB_ins_code(structConn.getPdbxPtnr2PDBInsCode().get(rowIndex)); + sc.setPtnr1_auth_seq_id(structConn.getPtnr1AuthSeqId().getStringData(rowIndex)); + sc.setPtnr2_auth_seq_id(structConn.getPtnr2AuthSeqId().getStringData(rowIndex)); + sc.setPtnr1_label_comp_id(structConn.getPtnr1LabelCompId().get(rowIndex)); + sc.setPtnr2_label_comp_id(structConn.getPtnr2LabelCompId().get(rowIndex)); + sc.setPtnr1_label_atom_id(structConn.getPtnr1LabelAtomId().get(rowIndex)); + sc.setPtnr2_label_atom_id(structConn.getPtnr2LabelAtomId().get(rowIndex)); + sc.setPdbx_ptnr1_label_alt_id(structConn.getPdbxPtnr1LabelAltId().get(rowIndex)); + sc.setPdbx_ptnr2_label_alt_id(structConn.getPdbxPtnr2LabelAltId().get(rowIndex)); + sc.setPtnr1_symmetry(structConn.getPtnr1Symmetry().get(rowIndex)); + sc.setPtnr2_symmetry(structConn.getPtnr2Symmetry().get(rowIndex)); + sc.setConn_type_id(structConn.getConnTypeId().get(rowIndex)); + + return sc; + }) + .collect(Collectors.toList()); + } + + private void alignSeqRes() { + logger.debug("Parsing mode align_seqres, will align to ATOM to SEQRES sequence"); + + // fix SEQRES residue numbering for all models + + for (int model = 0; model < structure.nrModels(); model++) { + List atomList = structure.getModel(model); + + for (Chain seqResChain : seqResChains){ + + // this extracts the matching atom chain from atomList + Chain atomChain = SeqRes2AtomAligner.getMatchingAtomRes(seqResChain, atomList, true); + + if (atomChain == null) { + // most likely there's no observed residues at all for the seqres chain: can't map + // e.g. 3zyb: chains with asym_id L,M,N,O,P have no observed residues + logger.info("Could not map SEQRES chain with asym_id={} to any ATOM chain. Most likely there's " + + "no observed residues in the chain.", seqResChain.getId()); + continue; + } + + //map the atoms to the seqres... + + // we need to first clone the seqres so that they stay independent for different models + List seqResGroups = new ArrayList<>(); + for (int i = 0; i < seqResChain.getAtomGroups().size(); i++) { + seqResGroups.add((Group)seqResChain.getAtomGroups().get(i).clone()); + } + + for (int seqResPos = 0 ; seqResPos < seqResGroups.size(); seqResPos++) { + Group seqresG = seqResGroups.get(seqResPos); + boolean found = false; + for (Group atomG : atomChain.getAtomGroups()) { + + int internalNr = getInternalNr(atomG); + + if (seqresG.getResidueNumber().getSeqNum() == internalNr) { + seqResGroups.set(seqResPos, atomG); + found = true; + break; + } + } + + if (!found) + // so far the residue number has tracked internal numbering. + // however there are no atom records, as such this can't be a PDB residue number... + seqresG.setResidueNumber(null); + } + atomChain.setSeqResGroups(seqResGroups); + } + } + } + + private int getInternalNr(Group atomG) { + if (atomG.getType().equals(GroupType.AMINOACID)) { + AminoAcidImpl aa = (AminoAcidImpl) atomG; + return (int) aa.getId(); + } else if (atomG.getType().equals(GroupType.NUCLEOTIDE)) { + NucleotideImpl nu = (NucleotideImpl) atomG; + return (int) nu.getId(); + } else { + HetatomImpl he = (HetatomImpl) atomG; + return (int) he.getId(); + } + } + + private void linkEntities() { + for (List allModel : allModels) { + for (Chain chain : allModel) { + //logger.info("linking entities for " + chain.getId() + " " + chain.getName()); + String entityId = asymId2entityId.get(chain.getId()); + + if (entityId == null) { + // this can happen for instance if the cif file didn't have _struct_asym category at all + // and thus we have no asymId2entityId mapping at all + logger.info("No entity id could be found for chain {}", chain.getId()); + continue; + } + + int eId = Integer.parseInt(entityId); + + // Entities are not added for non-polymeric entities, if a chain is non-polymeric its entity won't be found. + // TODO: add all entities and unique compounds and add methods to directly get polymer or non-polymer + // asyms (chains). Either create a unique StructureImpl or modify existing for a better representation of the + // mmCIF internal data structures but is compatible with Structure interface. + // Some examples of PDB entries with this kind of problem: + // - 2uub: asym_id X, chainName Z, entity_id 24: fully non-polymeric but still with its own chainName + // - 3o6j: asym_id K, chainName Z, entity_id 6 : a single water molecule + // - 1dz9: asym_id K, chainName K, entity_id 6 : a potassium ion alone + + EntityInfo entityInfo = structure.getEntityById(eId); + if (entityInfo == null) { + // Supports the case where the only chain members were from non-polymeric entity that is missing. + // Solved by creating a new Compound(entity) to which this chain will belong. + logger.info("Could not find an Entity for entity_id {}, for chain id {}, creating a new Entity.", + eId, chain.getId()); + entityInfo = new EntityInfo(); + entityInfo.setMolId(eId); + entityInfo.addChain(chain); + if (chain.isWaterOnly()) { + entityInfo.setType(EntityType.WATER); + } else { + entityInfo.setType(EntityType.NONPOLYMER); + } + chain.setEntityInfo(entityInfo); + structure.addEntityInfo(entityInfo); + } else { + logger.debug("Adding chain with chain id {} (auth id {}) to Entity with entity_id {}", + chain.getId(), chain.getName(), eId); + entityInfo.addChain(chain); + chain.setEntityInfo(entityInfo); + } + + } + + } + + // if no entity information was present in file we then go and find the entities heuristically with EntityFinder + List entityInfos = structure.getEntityInfos(); + if (entityInfos == null || entityInfos.isEmpty()) { + List> polyModels = new ArrayList<>(); + List> nonPolyModels = new ArrayList<>(); + List> waterModels = new ArrayList<>(); + + for (List model : allModels) { + List polyChains = new ArrayList<>(); + List nonPolyChains = new ArrayList<>(); + List waterChains = new ArrayList<>(); + + polyModels.add(polyChains); + nonPolyModels.add(nonPolyChains); + waterModels.add(waterChains); + + for (Chain chain : model) { + // we only have entities for polymeric chains, all others are ignored for assigning entities + if (chain.isWaterOnly()) { + waterChains.add(chain); + } else if (chain.isPureNonPolymer()) { + nonPolyChains.add(chain); + } else { + polyChains.add(chain); + } + } + } + + entityInfos = EntityFinder.findPolyEntities(polyModels); + EntityFinder.createPurelyNonPolyEntities(nonPolyModels, waterModels, entityInfos); + + structure.setEntityInfos(entityInfos); + } + + // final sanity check: it can happen that from the annotated entities some are not linked to any chains + // e.g. 3s26: a sugar entity does not have any chains associated to it (it seems to be happening with many sugar compounds) + // we simply log it, this can sign some other problems if the entities are used down the line + for (EntityInfo e : entityInfos) { + if (e.getChains().isEmpty()) { + logger.info("Entity {} '{}' has no chains associated to it", + e.getMolId() < 0 ? "with no entity id" : e.getMolId(), e.getDescription()); + } + } + } + + private void initMaps() { + if (structAsym == null || !structAsym.isDefined() || structAsym.getRowCount() == 0) { + logger.info("No _struct_asym category found in file. No asym id to entity_id mapping will be available"); + return; + } + + Map> entityId2asymId = new HashMap<>(); + for (int rowIndex = 0; rowIndex < structAsym.getRowCount(); rowIndex++) { + String id = structAsym.getId().get(rowIndex); + String entityId = structAsym.getEntityId().get(rowIndex); + + logger.debug("Entity {} matches asym_id: {}", entityId, id); + + asymId2entityId.put(id, entityId); + + if (entityId2asymId.containsKey(entityId)) { + List asymIds = entityId2asymId.get(entityId); + asymIds.add(id); + } else { + List asymIds = new ArrayList<>(); + asymIds.add(id); + entityId2asymId.put(entityId, asymIds); + } + } + + if (entityPoly == null || !entityPoly.isDefined() || entityPoly.getRowCount() == 0) { + logger.info("No _entity_poly category found in file. No asym id to author id mapping will be available " + + "for header only parsing"); + return; + } + + for (int rowIndex = 0; rowIndex < entityPoly.getRowCount(); rowIndex++) { + if (!entityPoly.getPdbxStrandId().isDefined()) { + logger.info("_entity_poly.pdbx_strand_id is null for entity {}. Won't be able to map asym ids to " + + "author ids for this entity.", entityPoly.getEntityId().get(rowIndex)); + break; + } + + String[] chainNames = entityPoly.getPdbxStrandId().get(rowIndex).split(","); + List asymIds = entityId2asymId.get(entityPoly.getEntityId().get(rowIndex)); + if (chainNames.length != asymIds.size()) { + logger.warn("The list of asym ids (from _struct_asym) and the list of author ids (from _entity_poly) " + + "for entity {} have different lengths! Can't provide a mapping from asym ids to author chain " + + "ids", entityPoly.getEntityId().get(rowIndex)); + break; + } + + for (int i = 0; i < chainNames.length; i++) { + asymId2authorId.put(asymIds.get(i), chainNames[i]); + } + } + } + + @Override + public Structure getContainer() { + return structure; + } +} diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java new file mode 100644 index 0000000000..f486be0b46 --- /dev/null +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java @@ -0,0 +1,211 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.*; +import org.biojava.nbio.structure.io.CIFFileReader; +import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.PDBFileParser; +import org.junit.Test; + +import java.io.IOException; +import java.io.InputStream; +import java.util.List; + +import static org.junit.Assert.*; + +public class CifFileConsumerImplTest { + // TODO use test resources provided by integration-test module + + private static boolean headerOnly; + private static boolean binary; + + @Test + public void testLoad() throws IOException { + headerOnly = false; + doTestLoad(); + } + + @Test + public void testLoadHeaderOnly() throws IOException { + headerOnly = true; + doTestLoad(); + } + + @Test + public void testLoadBinary() throws IOException { + headerOnly = false; + binary = true; + doTestLoad(); + } + + @Test + public void testLoadHeaderOnlyBinary() throws IOException { + headerOnly = true; + binary = true; + doTestLoad(); + } + + private void doTestLoad() throws IOException { + // test a simple protein + comparePDB2cif("5pti","A"); + + // test a protein with modified residues + comparePDB2cif("1a4w","L"); + comparePDB2cif("1a4w","H"); + comparePDB2cif("1a4w","I"); + + //non-standard encoded amino acid + comparePDB2cif("1fdo","A"); + + // test a DNA binding protein + comparePDB2cif("1j59","A"); + comparePDB2cif("1j59","E"); + + // test a NMR protein + comparePDB2cif("2kc9","A"); + } + + private void comparePDB2cif(String id, String chainId) throws IOException { + String fileName = binary ? "/" + id + ".bcif" : "/" + id + ".cif"; + System.out.println(fileName); + InputStream inStream = this.getClass().getResourceAsStream(fileName); + assertNotNull("Could not find file " + fileName + ". Config problem?" , inStream); + + CIFFileReader reader = new CIFFileReader(); + + FileParsingParameters params = new FileParsingParameters(); + params.setHeaderOnly(headerOnly); + reader.setFileParsingParameters(params); + + Structure cifStructure = reader.getStructure(inStream); + assertNotNull(cifStructure); + + // load the PDB file via the PDB parser + Structure pdbStructure; + InputStream pinStream = this.getClass().getResourceAsStream("/" + id + ".pdb"); + assertNotNull(inStream); + + PDBFileParser pdbParser = new PDBFileParser(); + pdbParser.setFileParsingParameters(params); + + pdbStructure = pdbParser.parsePDBFile(pinStream); + + assertNotNull(pdbStructure); + + // check NMR data + assertEquals(id + ": the isNMR flag is not the same!", + pdbStructure.isNmr(), + cifStructure.isNmr()); + + if ( pdbStructure.isNmr()){ + assertEquals(id + ": the nr of NMR models is not the same!", + pdbStructure.nrModels(), + pdbStructure.nrModels()); + checkNMR(pdbStructure); + checkNMR(cifStructure); + } + + Chain a_pdb = pdbStructure.getPolyChainByPDB(chainId); + Chain a_cif = cifStructure.getPolyChainByPDB(chainId); + + String pdb_SEQseq = a_pdb.getSeqResSequence(); + String cif_SEQseq = a_cif.getSeqResSequence(); + + assertEquals(id + ": the SEQRES sequences don't match!", + pdb_SEQseq, + cif_SEQseq); + + assertEquals(id + ": The nr of ATOM groups does not match!", + a_pdb.getAtomGroups(GroupType.AMINOACID).size(), + a_cif.getAtomGroups(GroupType.AMINOACID).size()); + + // actually this check not necessarily works, since there can be waters in PDB that we don;t deal with yet in cif... + for (int i = 0 ; i < a_pdb.getAtomGroups(GroupType.AMINOACID).size(); i++){ + Group gp = a_pdb.getAtomGroups(GroupType.AMINOACID).get(i); + List cifGroups = a_cif.getAtomGroups(GroupType.AMINOACID); + Group gc = cifGroups.get(i); + checkGroups(gp, gc); + } + + String pdb_seq = a_pdb.getAtomSequence(); + String cif_seq = a_cif.getAtomSequence(); + + assertEquals("the sequences obtained from PDB and mmCif don't match!", pdb_seq, cif_seq); + + List pdb_dbrefs= pdbStructure.getDBRefs(); + List cif_dbrefs= cifStructure.getDBRefs(); + + assertEquals("nr of DBrefs found does not match!", pdb_dbrefs.size(), cif_dbrefs.size()); + + DBRef p = pdb_dbrefs.get(0); + DBRef c = cif_dbrefs.get(0); + + String pdb_dbref = p.toPDB(); + String cif_dbref = c.toPDB(); + assertEquals("DBRef is not equal", pdb_dbref, cif_dbref); + + PDBHeader h1 = pdbStructure.getPDBHeader(); + PDBHeader h2 = cifStructure.getPDBHeader(); + + if (!h1.toPDB().toUpperCase().equals(h2.toPDB().toUpperCase())) { + System.err.println(h1.toPDB()); + System.err.println(h2.toPDB()); + assertEquals(h1.toPDB(), h2.toPDB()); + } + assertEquals("the PDBHeader.toPDB representation is not equivalent", + h1.toPDB().toUpperCase(), + h2.toPDB().toUpperCase()); + } + + private void checkGroups(Group g1, Group g2){ + String pdbId1 = g1.getChain().getStructure().getPDBCode(); + String pdbId2 = g1.getChain().getStructure().getPDBCode(); + assertEquals(pdbId1, pdbId2); + + assertEquals(g1.getType(), g2.getType()); + assertEquals(g1.getResidueNumber().getSeqNum(), g2.getResidueNumber().getSeqNum()); + assertEquals(g1.getResidueNumber().getInsCode(), g2.getResidueNumber().getInsCode()); + assertEquals(g1.getPDBName(), g2.getPDBName()); + assertEquals(g1.has3D(), g2.has3D()); + + assertEquals(g1.hasAltLoc(), g2.hasAltLoc()); + assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":"+ g2, g1.getAltLocs().size(), g2.getAltLocs().size()); + assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":"+ g2, g1.getAtoms().size(), g2.getAtoms().size()); + + if (g1.has3D()){ + Atom a1 = g1.getAtom(0); + Atom a2 = g2.getAtom(0); + if ( a1 == null) + fail("could not get atom for group " + g1); + if (a2 == null) + fail("could not get atom for group " + g2); + assertEquals(a1.getX(),a2.getX(), 0.0001); + assertEquals(a1.getOccupancy(), a2.getOccupancy(), 0.0001); + assertEquals(a1.getTempFactor(), a2.getTempFactor(), 0.0001); + assertEquals(a1.getName(), a2.getName()); + } + } + + private void checkNMR(Structure s){ + assertTrue(s.isNmr()); + int models = s.nrModels(); + assertTrue(models > 0); + List model0 = s.getModel(0); + + // compare with all others + for (int i = 1 ; i < models; i++){ + List modelX = s.getModel(i); + assertEquals(model0.size(),modelX.size()); + + // compare lengths: + for (int j=0 ; j< model0.size(); j++){ + Chain c1 = model0.get(j); + Chain cx = modelX.get(j); + assertEquals(c1.getAtomLength(), cx.getAtomLength()); + assertEquals(c1.getAtomSequence(), cx.getAtomSequence()); + assertEquals(c1.getAtomGroups(GroupType.AMINOACID).size(), cx.getAtomGroups(GroupType.AMINOACID).size()); + assertEquals(c1.getAtomGroups(GroupType.NUCLEOTIDE).size(), cx.getAtomGroups(GroupType.NUCLEOTIDE).size()); + assertEquals(c1.getAtomGroups(GroupType.HETATM).size(), cx.getAtomGroups(GroupType.HETATM).size()); + } + } + } +} \ No newline at end of file diff --git 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z5Bk{86nK+tiI^~_Cn=E2&N_mLcCM)!`#Z3BaCTSmjc(~<7B_jxbs9S=Yep=ZGj>~MNqdOGvje3VN(ph3|O5J&?$z3FbpA}?tl{X+& z11X$%CJrea7(b9o_d@;#aybSI*=7Ew)kDglHZ;!P5PVv|4#!{XGJ4EX3xRca)c-?H z!$O5RA|?U3GtOnuGL;4nwCD=q5pc7sf(G> z{dZRNb9d#pTB%6BT$t)FP8CLq!$VZ-^3Q-2LUc${_g`)0v8GaaU-a6so7c|1fB8I1 zPo;?|kCyQu?dvjTGM}FRWv~y;-~MRZ;_sgwTUt<;L9K(RdM;lZ`YXl;3dQ{3Dg1q6 zbf8Gfn&#D)n<4gjeC{qbY^`DqGm9~QL(?csaWLaBZ1}Bt*67B&b4S{rT2_KhWmL^2 zQ2j7%$e`=JzZ3hy7%c>5m{0A20(T#PsbfQf)T9D}m=$9ddixV6)|r61h*jJ%&wjR> zQIp;KLVnWp^-FIF{m!GDl!v>I<|wS3X=n)wtj7WjeM3qW_@qv#vK%V5<{jX5Z}Jb zZvIhK$2Q4O9*W0U+^Y8f>ZTX_);jM$B#HgfMGZI>!d7ssWDkwt3vMK*;FA~v3Xq(u zQcsPNPHXh?t$q6b&g8iXfX9c?ES;Io!x(fI9&`PD0Dzn9JRZ*;F&4RQn5v>~n=I`V zFy9w2q-bQoD{-G+*R+9ub0Dajf>aG=l=X^lLZ=Z6W0<@{XgDWO?&C%m@ix_W=LD+D z&4uLN-$}zc=@}lK9=J3{daqFJ?Z|Vo#|Zm^{(AL>7&WM)QL>|XgZtQ)3v`V8$XunOT{zEY*K*? z%BB;Y@kF|3H%v?DJ&{qK@9FM(C)tfaaO>oxbez7ST7iL FOR THE DATA SET : 12.0000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.00 +REMARK 200 COMPLETENESS FOR SHELL (%) : 48.0 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.16500 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 2.610 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: PREVIOUS STRUCTURE +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: PDB ENTRY 1FPC +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 51.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.40 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M SODIUM PHOSPHATE BUFFER AT PH +REMARK 280 7.3, 27-28% PEG 8000; HANGING DROPS WITH MACROSEEDING, VAPOR +REMARK 280 DIFFUSION - HANGING DROP AND MACROSEEDING +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y,-Z +REMARK 290 3555 X+1/2,Y+1/2,Z +REMARK 290 4555 -X+1/2,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 35.73500 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 36.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 35.73500 +REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 36.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: L, H, I +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 400 +REMARK 400 COMPOUND +REMARK 400 +REMARK 400 THROMBIN IS CLEAVED BETWEEN RESIDUES 15 AND 16. CHAIN +REMARK 400 IDENTIFIER *L* IS USED FOR RESIDUES 1H - 15 AND CHAIN +REMARK 400 IDENTIFIER *H* IS USED FOR RESIDUES 16 - 247. CHAIN +REMARK 400 IDENTIFIER *I* IS USED FOR HIRUGEN, THE CARBOXYL. +REMARK 400 RESIDUES DAN R 373, ARG R 350, PIP R 375, AND TZL R 377 +REMARK 400 CONSTITUTE THE ACTIVE SITE INHIBITOR. +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 THR L 1H +REMARK 465 PHE L 1G +REMARK 465 GLY L 1F +REMARK 465 SER L 1E +REMARK 465 GLY L 1D +REMARK 465 GLU L 1C +REMARK 465 ALA L 1B +REMARK 465 ASP L 14L +REMARK 465 GLY L 14M +REMARK 465 ARG L 14N +REMARK 465 THR H 146A +REMARK 465 TRP H 146B +REMARK 465 THR H 146C +REMARK 465 ALA H 146D +REMARK 465 ASN H 146E +REMARK 465 VAL H 146F +REMARK 465 GLY H 146G +REMARK 465 LYS H 146H +REMARK 465 PHE H 245 +REMARK 465 GLY H 246 +REMARK 465 GLU H 247 +REMARK 465 ASN I 353 +REMARK 465 GLY I 354 +REMARK 465 LEU I 364 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 LYS L 14A CG CD CE NZ +REMARK 470 ARG L 14D CG CD NE CZ NH1 NH2 +REMARK 470 ILE L 14K CB CG1 CG2 CD1 +REMARK 470 ASN H 62 CB CG OD1 ND2 +REMARK 470 ARG H 75 CB CG CD NE CZ NH1 NH2 +REMARK 470 ARG H 77A CB CG CD NE CZ NH1 NH2 +REMARK 470 LYS H 110 CG CD CE NZ +REMARK 470 ASP H 125 CG OD1 OD2 +REMARK 470 LYS H 145 CG CD CE NZ +REMARK 470 ASP H 186A CB CG OD1 OD2 +REMARK 470 LYS H 240 CD CE NZ +REMARK 470 GLN H 244 CB CG CD OE1 NE2 +REMARK 470 ASP I 355 CB CG OD1 OD2 +REMARK 470 GLU I 358 CB CG CD OE1 OE2 +REMARK 470 GLU I 361 CG CD OE1 OE2 +REMARK 470 GLU I 362 CG CD OE1 OE2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 NH1 ARG H 50 O LEU H 108 1.96 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ASP L 1A CB - CG - OD1 ANGL. DEV. = -8.5 DEGREES +REMARK 500 ARG L 4 NE - CZ - NH2 ANGL. DEV. = 5.5 DEGREES +REMARK 500 SER L 11 N - CA - CB ANGL. DEV. = 16.1 DEGREES +REMARK 500 LEU L 14G CB - CG - CD1 ANGL. DEV. = 11.0 DEGREES +REMARK 500 ASP H 21 CB - CG - OD1 ANGL. DEV. = 5.4 DEGREES +REMARK 500 ASP H 21 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES +REMARK 500 ARG H 35 NH1 - CZ - NH2 ANGL. DEV. = 8.3 DEGREES +REMARK 500 ARG H 35 NE - CZ - NH2 ANGL. DEV. = -8.4 DEGREES +REMARK 500 ASP H 49 CB - CG - OD2 ANGL. DEV. = 5.5 DEGREES +REMARK 500 ARG H 50 NE - CZ - NH1 ANGL. DEV. = 4.8 DEGREES +REMARK 500 ARG H 50 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES +REMARK 500 TYR H 60A CB - CG - CD1 ANGL. DEV. = -4.6 DEGREES +REMARK 500 LYS H 60F CA - CB - CG ANGL. DEV. = 17.9 DEGREES +REMARK 500 LEU H 64 CB - CG - CD2 ANGL. DEV. = -10.5 DEGREES +REMARK 500 ARG H 73 NE - CZ - NH1 ANGL. DEV. = 5.5 DEGREES +REMARK 500 ARG H 73 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES +REMARK 500 THR H 74 N - CA - CB ANGL. DEV. = -17.7 DEGREES +REMARK 500 THR H 74 OG1 - CB - CG2 ANGL. DEV. = 18.9 DEGREES +REMARK 500 SER H 83 N - CA - CB ANGL. DEV. = 9.2 DEGREES +REMARK 500 ARG H 93 CD - NE - CZ ANGL. DEV. = 20.6 DEGREES +REMARK 500 ARG H 93 NE - CZ - NH1 ANGL. DEV. = 8.4 DEGREES +REMARK 500 ARG H 93 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES +REMARK 500 TYR H 94 CB - CG - CD2 ANGL. DEV. = -4.6 DEGREES +REMARK 500 ASP H 100 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES +REMARK 500 ARG H 101 NE - CZ - NH1 ANGL. DEV. = 7.2 DEGREES +REMARK 500 ARG H 101 NE - CZ - NH2 ANGL. DEV. = -8.5 DEGREES +REMARK 500 ASP H 102 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES +REMARK 500 ARG H 137 NE - CZ - NH1 ANGL. DEV. = 6.3 DEGREES +REMARK 500 VAL H 138 O - C - N ANGL. DEV. = 11.8 DEGREES +REMARK 500 VAL H 154 CA - CB - CG1 ANGL. DEV. = 11.1 DEGREES +REMARK 500 ARG H 165 CD - NE - CZ ANGL. DEV. = 13.2 DEGREES +REMARK 500 ARG H 165 NE - CZ - NH1 ANGL. DEV. = 9.7 DEGREES +REMARK 500 ARG H 165 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES +REMARK 500 ASP H 170 CB - CG - OD2 ANGL. DEV. = -8.1 DEGREES +REMARK 500 ARG H 173 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES +REMARK 500 TYR H 184A CB - CG - CD1 ANGL. DEV. = -6.2 DEGREES +REMARK 500 GLU H 186B CG - CD - OE1 ANGL. DEV. = 14.4 DEGREES +REMARK 500 ARG H 206 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES +REMARK 500 TYR H 208 CB - CG - CD1 ANGL. DEV. = -4.1 DEGREES +REMARK 500 TYR H 228 CB - CG - CD2 ANGL. DEV. = -3.8 DEGREES +REMARK 500 PHE H 232 CB - CG - CD1 ANGL. DEV. = -4.6 DEGREES +REMARK 500 ARG H 233 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES +REMARK 500 ARG H 233 NE - CZ - NH2 ANGL. DEV. = -9.4 DEGREES +REMARK 500 VAL H 241 CA - CB - CG1 ANGL. DEV. = 12.4 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 PHE L 7 -78.63 -128.28 +REMARK 500 SER H 36A 117.15 -163.62 +REMARK 500 ALA H 44 -175.78 -171.19 +REMARK 500 TYR H 60A 79.88 -154.74 +REMARK 500 ASN H 60G 83.28 -160.79 +REMARK 500 HIS H 71 -56.01 -134.72 +REMARK 500 ASN H 78 -0.86 71.84 +REMARK 500 GLU H 97A -63.15 -131.02 +REMARK 500 LYS H 186D 143.14 179.93 +REMARK 500 SER H 214 -98.33 -112.77 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 ARG H 73 0.12 SIDE_CHAIN +REMARK 500 PHE H 232 0.08 SIDE_CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY +REMARK 500 +REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY +REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER +REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 500 I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI ANGLE +REMARK 500 SER H 20 11.04 +REMARK 500 GLN H 151 10.60 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 525 +REMARK 525 SOLVENT +REMARK 525 +REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT +REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST +REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT +REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE +REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; +REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE +REMARK 525 NUMBER; I=INSERTION CODE): +REMARK 525 +REMARK 525 M RES CSSEQI +REMARK 525 HOH H 537 DISTANCE = 5.46 ANGSTROMS +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA H 541 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 LYS H 224 O +REMARK 620 2 HOH H 497 O 92.4 +REMARK 620 3 ARG H 221A O 95.7 104.9 +REMARK 620 4 HOH H 464 O 165.3 87.9 98.3 +REMARK 620 5 HOH H 460 O 71.0 89.9 160.8 94.3 +REMARK 620 6 HOH H 403 O 90.7 167.3 87.1 86.0 79.4 +REMARK 620 N 1 2 3 4 5 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA H 542 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 LYS H 169 O +REMARK 620 2 THR H 172 O 85.2 +REMARK 620 3 HOH H 518 O 84.9 166.5 +REMARK 620 4 HOH H 467 O 171.9 94.2 96.9 +REMARK 620 5 PHE H 204A O 97.8 93.6 78.7 90.3 +REMARK 620 6 HOH H 515 O 74.9 84.0 102.2 97.0 172.5 +REMARK 620 N 1 2 3 4 5 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: CAT +REMARK 800 EVIDENCE_CODE: UNKNOWN +REMARK 800 SITE_DESCRIPTION: ACTIVE SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA H 541 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA H 542 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ANS H 373 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DAR H 350 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 2EP H 375 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE KTH H 377 +DBREF 1A4W L 1H 14N UNP P00734 THRB_HUMAN 328 363 +DBREF 1A4W H 16 247 UNP P00734 THRB_HUMAN 364 622 +DBREF 1A4W I 353 364 UNP P09945 ITH3_HIRME 60 71 +SEQADV 1A4W TYS I 363 UNP P09945 TYR 70 CONFLICT +SEQRES 1 L 36 THR PHE GLY SER GLY GLU ALA ASP CYS GLY LEU ARG PRO +SEQRES 2 L 36 LEU PHE GLU LYS LYS SER LEU GLU ASP LYS THR GLU ARG +SEQRES 3 L 36 GLU LEU LEU GLU SER TYR ILE ASP GLY ARG +SEQRES 1 H 259 ILE VAL GLU GLY SER ASP ALA GLU ILE GLY MET SER PRO +SEQRES 2 H 259 TRP GLN VAL MET LEU PHE ARG LYS SER PRO GLN GLU LEU +SEQRES 3 H 259 LEU CYS GLY ALA SER LEU ILE SER ASP ARG TRP VAL LEU +SEQRES 4 H 259 THR ALA ALA HIS CYS LEU LEU TYR PRO PRO TRP ASP LYS +SEQRES 5 H 259 ASN PHE THR GLU ASN ASP LEU LEU VAL ARG ILE GLY LYS +SEQRES 6 H 259 HIS SER ARG THR ARG TYR GLU ARG ASN ILE GLU LYS ILE +SEQRES 7 H 259 SER MET LEU GLU LYS ILE TYR ILE HIS PRO ARG TYR ASN +SEQRES 8 H 259 TRP ARG GLU ASN LEU ASP ARG ASP ILE ALA LEU MET LYS +SEQRES 9 H 259 LEU LYS LYS PRO VAL ALA PHE SER ASP TYR ILE HIS PRO +SEQRES 10 H 259 VAL CYS LEU PRO ASP ARG GLU THR ALA ALA SER LEU LEU +SEQRES 11 H 259 GLN ALA GLY TYR LYS GLY ARG VAL THR GLY TRP GLY ASN +SEQRES 12 H 259 LEU LYS GLU THR TRP THR ALA ASN VAL GLY LYS GLY GLN +SEQRES 13 H 259 PRO SER VAL LEU GLN VAL VAL ASN LEU PRO ILE VAL GLU +SEQRES 14 H 259 ARG PRO VAL CYS LYS ASP SER THR ARG ILE ARG ILE THR +SEQRES 15 H 259 ASP ASN MET PHE CYS ALA GLY TYR LYS PRO ASP GLU GLY +SEQRES 16 H 259 LYS ARG GLY ASP ALA CYS GLU GLY ASP SER GLY GLY PRO +SEQRES 17 H 259 PHE VAL MET LYS SER PRO PHE ASN ASN ARG TRP TYR GLN +SEQRES 18 H 259 MET GLY ILE VAL SER TRP GLY GLU GLY CYS ASP ARG ASP +SEQRES 19 H 259 GLY LYS TYR GLY PHE TYR THR HIS VAL PHE ARG LEU LYS +SEQRES 20 H 259 LYS TRP ILE GLN LYS VAL ILE ASP GLN PHE GLY GLU +SEQRES 1 I 12 ASN GLY ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU +MODRES 1A4W TYS I 363 TYR O-SULFO-L-TYROSINE +HET TYS I 363 16 +HET NA H 541 1 +HET NA H 542 1 +HET ANS H 373 16 +HET DAR H 350 11 +HET 2EP H 375 8 +HET KTH H 377 7 +HETNAM TYS O-SULFO-L-TYROSINE +HETNAM NA SODIUM ION +HETNAM ANS 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL +HETNAM 2 ANS ACID) +HETNAM DAR D-ARGININE +HETNAM 2EP 2-ETHYLPIPERIDINE +HETNAM KTH 2-KETOTHIAZOLE +HETSYN ANS DANSYL ACID +FORMUL 3 TYS C9 H11 N O6 S +FORMUL 4 NA 2(NA 1+) +FORMUL 6 ANS C12 H13 N O3 S +FORMUL 6 DAR C6 H15 N4 O2 1+ +FORMUL 6 2EP C7 H15 N +FORMUL 7 KTH C4 H3 N O S +FORMUL 8 HOH *157(H2 O) +HELIX 1 H1 ALA H 55 LEU H 60 1 6 +HELIX 2 H2 GLU H 164 SER H 171 1 8 +HELIX 3 H3 ASP H 125 LEU H 129C 1 8 +HELIX 4 H4 VAL H 231 GLN H 244 1 14 +SHEET 1 B1 7 PRO H 28 ARG H 35 0 +SHEET 2 B1 7 CYS H 42 ASP H 49 -1 +SHEET 3 B1 7 ARG H 50 ALA H 56 -1 +SHEET 4 B1 7 ARG H 101 LYS H 110 -1 +SHEET 5 B1 7 LYS H 81 PRO H 92 -1 +SHEET 6 B1 7 ASP H 63 GLY H 69 -1 +SHEET 7 B1 7 PRO H 28 ARG H 35 -1 +SHEET 1 B2 7 GLY H 133 TRP H 141 0 +SHEET 2 B2 7 LEU H 155 ILE H 162 -1 +SHEET 3 B2 7 ASN H 179 PRO H 186 -1 +SHEET 4 B2 7 GLY H 223 THR H 229 -1 +SHEET 5 B2 7 ILE H 212 GLU H 217 -1 +SHEET 6 B2 7 GLY H 193 MET H 201 -1 +SHEET 7 B2 7 GLY H 133 TRP H 141 -1 +SSBOND 1 CYS L 1 CYS H 122 1555 1555 1.97 +SSBOND 2 CYS H 42 CYS H 58 1555 1555 2.06 +SSBOND 3 CYS H 168 CYS H 182 1555 1555 2.06 +SSBOND 4 CYS H 191 CYS H 220 1555 1555 2.09 +LINK N TYS I 363 C GLU I 362 1555 1555 1.33 +LINK S ANS H 373 N DAR H 350 1555 1555 1.91 +LINK N1 2EP H 375 C DAR H 350 1555 1555 1.42 +LINK C2' 2EP H 375 C2' KTH H 377 1555 1555 1.48 +LINK NA NA H 541 O LYS H 224 1555 1555 2.32 +LINK NA NA H 542 O LYS H 169 1555 1555 2.36 +LINK NA NA H 542 O THR H 172 1555 1555 2.33 +LINK NA NA H 541 O HOH H 497 1555 1555 2.21 +LINK NA NA H 541 O ARG H 221A 1555 1555 2.44 +LINK NA NA H 541 O HOH H 464 1555 1555 2.37 +LINK NA NA H 541 O HOH H 460 1555 1555 2.41 +LINK NA NA H 542 O HOH H 518 1555 1555 2.54 +LINK NA NA H 542 O HOH H 467 1555 1555 2.39 +LINK NA NA H 542 O PHE H 204A 1555 4546 2.43 +LINK NA NA H 541 O HOH H 403 1555 1555 2.91 +LINK NA NA H 542 O HOH H 515 1555 1555 2.84 +CISPEP 1 SER H 36A PRO H 37 0 -2.26 +SITE 1 CAT 3 HIS H 57 ASP H 102 SER H 195 +SITE 1 AC1 6 ARG H 221A LYS H 224 HOH H 403 HOH H 460 +SITE 2 AC1 6 HOH H 464 HOH H 497 +SITE 1 AC2 6 LYS H 169 THR H 172 PHE H 204A HOH H 467 +SITE 2 AC2 6 HOH H 515 HOH H 518 +SITE 1 AC3 8 TYR H 60A GLU H 97A LEU H 99 TRP H 215 +SITE 2 AC3 8 GLY H 216 GLY H 219 DAR H 350 HOH H 448 +SITE 1 AC4 8 ASP H 189 ALA H 190 TRP H 215 GLY H 216 +SITE 2 AC4 8 GLY H 219 ANS H 373 2EP H 375 HOH H 471 +SITE 1 AC5 4 TRP H 60D LEU H 99 DAR H 350 KTH H 377 +SITE 1 AC6 5 HIS H 57 TRP H 60D LYS H 60F 2EP H 375 +SITE 2 AC6 5 HOH H 532 +CRYST1 71.470 72.000 73.390 90.00 101.13 90.00 C 1 2 1 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.013992 0.000000 0.002753 0.00000 +SCALE2 0.000000 0.013889 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.013887 0.00000 +ATOM 1 N ASP L 1A 11.095 19.341 20.188 1.00 30.14 N +ATOM 2 CA ASP L 1A 10.070 18.634 19.379 1.00 28.34 C +ATOM 3 C ASP L 1A 9.846 17.102 19.503 1.00 26.08 C +ATOM 4 O ASP L 1A 8.744 16.584 19.162 1.00 23.47 O +ATOM 5 CB ASP L 1A 10.255 18.858 17.853 1.00 37.55 C +ATOM 6 CG ASP L 1A 8.836 19.264 17.401 1.00 42.76 C +ATOM 7 OD1 ASP L 1A 8.058 19.292 18.400 1.00 44.03 O +ATOM 8 OD2 ASP L 1A 8.616 19.668 16.244 1.00 46.88 O +ATOM 9 N CYS L 1 10.835 16.440 20.113 1.00 23.72 N +ATOM 10 CA CYS L 1 10.769 14.970 20.210 1.00 20.89 C +ATOM 11 C CYS L 1 9.580 14.524 21.006 1.00 18.64 C +ATOM 12 O CYS L 1 9.110 15.220 21.912 1.00 19.03 O +ATOM 13 CB CYS L 1 12.117 14.468 20.771 1.00 21.77 C +ATOM 14 SG CYS L 1 12.247 14.885 22.538 1.00 20.55 S +ATOM 15 N GLY L 2 9.089 13.336 20.667 1.00 17.86 N +ATOM 16 CA GLY L 2 8.063 12.669 21.474 1.00 16.86 C +ATOM 17 C GLY L 2 6.676 13.272 21.469 1.00 17.77 C +ATOM 18 O GLY L 2 5.817 12.697 22.177 1.00 18.41 O +ATOM 19 N LEU L 3 6.402 14.258 20.605 1.00 17.18 N +ATOM 20 CA LEU L 3 5.020 14.820 20.506 1.00 17.45 C +ATOM 21 C LEU L 3 4.475 14.399 19.121 1.00 18.01 C +ATOM 22 O LEU L 3 5.050 14.872 18.152 1.00 17.71 O +ATOM 23 CB LEU L 3 5.153 16.362 20.592 1.00 18.74 C +ATOM 24 CG LEU L 3 5.596 16.876 21.959 1.00 19.10 C +ATOM 25 CD1 LEU L 3 5.857 18.363 21.889 1.00 24.28 C +ATOM 26 CD2 LEU L 3 4.508 16.554 22.974 1.00 18.04 C +ATOM 27 N ARG L 4 3.440 13.556 19.122 1.00 18.12 N +ATOM 28 CA ARG L 4 3.071 12.990 17.788 1.00 17.89 C +ATOM 29 C ARG L 4 2.134 13.988 17.068 1.00 17.92 C +ATOM 30 O ARG L 4 1.174 14.450 17.660 1.00 17.08 O +ATOM 31 CB ARG L 4 2.467 11.627 18.029 1.00 16.85 C +ATOM 32 CG ARG L 4 3.367 10.563 18.782 1.00 16.70 C +ATOM 33 CD ARG L 4 2.419 9.446 19.142 1.00 13.02 C +ATOM 34 NE ARG L 4 1.484 9.747 20.203 1.00 15.17 N +ATOM 35 CZ ARG L 4 0.562 8.963 20.751 1.00 13.48 C +ATOM 36 NH1 ARG L 4 0.443 7.685 20.335 1.00 17.03 N +ATOM 37 NH2 ARG L 4 -0.275 9.310 21.731 1.00 13.89 N +ATOM 38 N PRO L 5 2.364 14.134 15.770 1.00 18.55 N +ATOM 39 CA PRO L 5 1.539 15.061 14.927 1.00 19.37 C +ATOM 40 C PRO L 5 0.083 14.714 14.917 1.00 20.23 C +ATOM 41 O PRO L 5 -0.823 15.558 15.077 1.00 22.67 O +ATOM 42 CB PRO L 5 2.174 15.030 13.563 1.00 18.78 C +ATOM 43 CG PRO L 5 3.508 14.382 13.705 1.00 20.38 C +ATOM 44 CD PRO L 5 3.525 13.664 15.054 1.00 18.50 C +ATOM 45 N LEU L 6 -0.219 13.406 15.013 1.00 20.42 N +ATOM 46 CA LEU L 6 -1.617 12.995 14.949 1.00 19.27 C +ATOM 47 C LEU L 6 -2.214 12.854 16.308 1.00 19.13 C +ATOM 48 O LEU L 6 -3.421 12.472 16.320 1.00 18.99 O +ATOM 49 CB LEU L 6 -1.771 11.753 14.052 1.00 16.88 C +ATOM 50 CG LEU L 6 -1.303 11.960 12.608 1.00 20.87 C +ATOM 51 CD1 LEU L 6 -1.485 10.637 11.829 1.00 18.53 C +ATOM 52 CD2 LEU L 6 -2.202 13.079 12.077 1.00 23.77 C +ATOM 53 N PHE L 7 -1.435 13.030 17.371 1.00 18.39 N +ATOM 54 CA PHE L 7 -2.108 12.832 18.688 1.00 19.38 C +ATOM 55 C PHE L 7 -1.848 14.061 19.592 1.00 19.71 C +ATOM 56 O PHE L 7 -2.605 15.044 19.526 1.00 21.49 O +ATOM 57 CB PHE L 7 -1.595 11.495 19.287 1.00 19.65 C +ATOM 58 CG PHE L 7 -2.202 10.288 18.617 1.00 19.95 C +ATOM 59 CD1 PHE L 7 -3.522 9.915 18.973 1.00 19.04 C +ATOM 60 CD2 PHE L 7 -1.516 9.686 17.561 1.00 17.87 C +ATOM 61 CE1 PHE L 7 -4.109 8.849 18.260 1.00 17.67 C +ATOM 62 CE2 PHE L 7 -2.101 8.627 16.834 1.00 16.67 C +ATOM 63 CZ PHE L 7 -3.367 8.222 17.221 1.00 16.37 C +ATOM 64 N GLU L 8 -0.649 14.133 20.195 1.00 18.01 N +ATOM 65 CA GLU L 8 -0.356 15.200 21.140 1.00 16.75 C +ATOM 66 C GLU L 8 -0.499 16.586 20.484 1.00 17.59 C +ATOM 67 O GLU L 8 -1.173 17.450 21.090 1.00 17.01 O +ATOM 68 CB GLU L 8 1.118 15.113 21.640 1.00 17.14 C +ATOM 69 CG GLU L 8 1.159 14.046 22.770 1.00 15.66 C +ATOM 70 CD GLU L 8 1.202 12.632 22.265 1.00 15.06 C +ATOM 71 OE1 GLU L 8 1.728 12.484 21.134 1.00 17.16 O +ATOM 72 OE2 GLU L 8 0.840 11.717 23.033 1.00 19.50 O +ATOM 73 N LYS L 9 -0.044 16.610 19.273 1.00 18.40 N +ATOM 74 CA LYS L 9 -0.065 17.898 18.545 1.00 20.91 C +ATOM 75 C LYS L 9 -1.500 18.323 18.259 1.00 21.80 C +ATOM 76 O LYS L 9 -1.601 19.532 18.107 1.00 21.53 O +ATOM 77 CB LYS L 9 0.767 17.946 17.282 1.00 24.39 C +ATOM 78 CG LYS L 9 2.260 17.710 17.521 1.00 29.43 C +ATOM 79 CD LYS L 9 2.957 18.892 18.149 1.00 35.29 C +ATOM 80 CE LYS L 9 4.341 19.214 17.604 1.00 38.83 C +ATOM 81 NZ LYS L 9 4.724 20.558 18.197 1.00 41.45 N +ATOM 82 N LYS L 10 -2.499 17.479 18.376 1.00 21.52 N +ATOM 83 CA LYS L 10 -3.896 17.811 18.056 1.00 23.02 C +ATOM 84 C LYS L 10 -4.754 17.625 19.273 1.00 22.04 C +ATOM 85 O LYS L 10 -5.984 17.776 19.242 1.00 22.20 O +ATOM 86 CB LYS L 10 -4.470 16.864 16.955 1.00 24.25 C +ATOM 87 CG LYS L 10 -3.944 17.220 15.567 1.00 28.75 C +ATOM 88 CD LYS L 10 -3.842 16.029 14.632 1.00 33.60 C +ATOM 89 CE LYS L 10 -4.561 16.212 13.305 1.00 36.09 C +ATOM 90 NZ LYS L 10 -6.027 16.109 13.685 1.00 38.97 N +ATOM 91 N SER L 11 -4.027 17.312 20.349 1.00 22.33 N +ATOM 92 CA SER L 11 -4.667 16.965 21.604 1.00 22.03 C +ATOM 93 C SER L 11 -5.592 15.760 21.359 1.00 22.61 C +ATOM 94 O SER L 11 -6.532 15.724 22.174 1.00 24.34 O +ATOM 95 CB SER L 11 -5.458 17.901 22.510 1.00 25.62 C +ATOM 96 OG SER L 11 -5.424 19.222 22.024 1.00 35.68 O +ATOM 97 N LEU L 12 -5.210 14.737 20.606 1.00 21.81 N +ATOM 98 CA LEU L 12 -6.064 13.530 20.587 1.00 21.97 C +ATOM 99 C LEU L 12 -5.275 12.448 21.363 1.00 22.30 C +ATOM 100 O LEU L 12 -4.034 12.473 21.307 1.00 21.13 O +ATOM 101 CB LEU L 12 -6.209 13.152 19.106 1.00 19.02 C +ATOM 102 CG LEU L 12 -6.935 14.257 18.307 1.00 23.88 C +ATOM 103 CD1 LEU L 12 -6.996 13.845 16.861 1.00 23.12 C +ATOM 104 CD2 LEU L 12 -8.339 14.345 18.891 1.00 22.97 C +ATOM 105 N GLU L 13 -5.997 11.588 22.006 1.00 22.34 N +ATOM 106 CA GLU L 13 -5.303 10.472 22.709 1.00 24.14 C +ATOM 107 C GLU L 13 -5.380 9.199 21.913 1.00 23.81 C +ATOM 108 O GLU L 13 -6.470 8.998 21.302 1.00 25.39 O +ATOM 109 CB GLU L 13 -6.150 10.222 23.967 1.00 26.06 C +ATOM 110 CG GLU L 13 -5.978 11.320 24.994 1.00 36.69 C +ATOM 111 CD GLU L 13 -6.421 11.003 26.391 1.00 42.27 C +ATOM 112 OE1 GLU L 13 -6.995 9.892 26.528 1.00 46.63 O +ATOM 113 OE2 GLU L 13 -6.208 11.780 27.305 1.00 46.31 O +ATOM 114 N ASP L 14 -4.407 8.330 21.972 1.00 22.45 N +ATOM 115 CA ASP L 14 -4.526 6.972 21.347 1.00 21.73 C +ATOM 116 C ASP L 14 -5.408 6.153 22.306 1.00 20.49 C +ATOM 117 O ASP L 14 -5.818 6.528 23.416 1.00 19.90 O +ATOM 118 CB ASP L 14 -3.184 6.429 20.919 1.00 20.07 C +ATOM 119 CG ASP L 14 -2.229 6.045 22.052 1.00 17.98 C +ATOM 120 OD1 ASP L 14 -2.698 5.227 22.871 1.00 21.20 O +ATOM 121 OD2 ASP L 14 -1.046 6.434 21.950 1.00 20.58 O +ATOM 122 N LYS L 14A -5.864 5.031 21.805 1.00 21.06 N +ATOM 123 CA LYS L 14A -6.839 4.178 22.443 1.00 21.93 C +ATOM 124 C LYS L 14A -6.366 3.509 23.720 1.00 23.19 C +ATOM 125 O LYS L 14A -7.278 3.215 24.547 1.00 24.43 O +ATOM 126 CB LYS L 14A -7.402 3.138 21.440 1.00 26.01 C +ATOM 127 N THR L 14B -5.057 3.419 23.938 1.00 22.46 N +ATOM 128 CA THR L 14B -4.630 2.812 25.224 1.00 22.68 C +ATOM 129 C THR L 14B -3.665 3.661 26.015 1.00 22.44 C +ATOM 130 O THR L 14B -3.189 3.038 27.011 1.00 23.82 O +ATOM 131 CB THR L 14B -3.981 1.384 25.060 1.00 21.88 C +ATOM 132 OG1 THR L 14B -2.778 1.473 24.244 1.00 20.69 O +ATOM 133 CG2 THR L 14B -4.993 0.404 24.463 1.00 24.38 C +ATOM 134 N GLU L 14C -3.262 4.834 25.632 1.00 21.92 N +ATOM 135 CA GLU L 14C -2.281 5.549 26.481 1.00 22.63 C +ATOM 136 C GLU L 14C -2.784 5.838 27.885 1.00 24.40 C +ATOM 137 O GLU L 14C -1.920 5.853 28.810 1.00 24.63 O +ATOM 138 CB GLU L 14C -1.728 6.812 25.841 1.00 21.93 C +ATOM 139 CG GLU L 14C -2.887 7.759 25.512 1.00 20.89 C +ATOM 140 CD GLU L 14C -2.373 9.016 24.883 1.00 22.13 C +ATOM 141 OE1 GLU L 14C -2.275 9.186 23.690 1.00 23.94 O +ATOM 142 OE2 GLU L 14C -2.186 9.887 25.756 1.00 23.30 O +ATOM 143 N ARG L 14D -4.072 5.948 28.168 1.00 24.26 N +ATOM 144 CA ARG L 14D -4.641 6.122 29.488 1.00 25.80 C +ATOM 145 C ARG L 14D -4.150 5.006 30.459 1.00 25.99 C +ATOM 146 O ARG L 14D -4.045 5.215 31.686 1.00 25.42 O +ATOM 147 CB ARG L 14D -6.179 5.984 29.466 1.00 31.17 C +ATOM 148 N GLU L 14E -4.103 3.807 29.891 1.00 26.36 N +ATOM 149 CA GLU L 14E -3.631 2.631 30.658 1.00 26.18 C +ATOM 150 C GLU L 14E -2.226 2.906 31.156 1.00 25.41 C +ATOM 151 O GLU L 14E -1.892 2.470 32.261 1.00 26.18 O +ATOM 152 CB GLU L 14E -3.681 1.336 29.867 1.00 28.05 C +ATOM 153 CG GLU L 14E -3.070 0.083 30.459 1.00 33.29 C +ATOM 154 CD GLU L 14E -2.969 -1.192 29.667 1.00 34.03 C +ATOM 155 OE1 GLU L 14E -3.332 -1.074 28.479 1.00 34.13 O +ATOM 156 OE2 GLU L 14E -2.630 -2.275 30.156 1.00 35.06 O +ATOM 157 N LEU L 14F -1.348 3.524 30.386 1.00 24.50 N +ATOM 158 CA LEU L 14F -0.006 3.833 30.879 1.00 23.99 C +ATOM 159 C LEU L 14F -0.091 4.854 32.041 1.00 24.26 C +ATOM 160 O LEU L 14F 0.422 4.617 33.153 1.00 22.84 O +ATOM 161 CB LEU L 14F 0.781 4.375 29.700 1.00 21.42 C +ATOM 162 CG LEU L 14F 1.475 3.337 28.808 1.00 23.24 C +ATOM 163 CD1 LEU L 14F 0.628 2.112 28.674 1.00 22.76 C +ATOM 164 CD2 LEU L 14F 1.842 4.008 27.493 1.00 21.79 C +ATOM 165 N LEU L 14G -0.729 5.971 31.715 1.00 23.55 N +ATOM 166 CA LEU L 14G -0.851 7.043 32.726 1.00 23.72 C +ATOM 167 C LEU L 14G -1.432 6.536 34.017 1.00 23.57 C +ATOM 168 O LEU L 14G -1.013 6.946 35.128 1.00 23.28 O +ATOM 169 CB LEU L 14G -1.556 8.261 32.130 1.00 25.86 C +ATOM 170 CG LEU L 14G -0.858 9.125 31.096 1.00 28.42 C +ATOM 171 CD1 LEU L 14G 0.556 9.649 31.304 1.00 25.61 C +ATOM 172 CD2 LEU L 14G -0.874 8.435 29.722 1.00 31.26 C +ATOM 173 N GLU L 14H -2.424 5.694 33.935 1.00 24.11 N +ATOM 174 CA GLU L 14H -3.043 5.235 35.174 1.00 25.85 C +ATOM 175 C GLU L 14H -2.074 4.373 35.958 1.00 26.07 C +ATOM 176 O GLU L 14H -2.451 4.176 37.131 1.00 26.57 O +ATOM 177 CB GLU L 14H -4.323 4.401 35.011 1.00 27.91 C +ATOM 178 CG GLU L 14H -5.419 5.211 34.318 1.00 35.96 C +ATOM 179 CD GLU L 14H -6.718 4.479 34.136 1.00 39.04 C +ATOM 180 OE1 GLU L 14H -6.593 3.234 34.231 1.00 42.07 O +ATOM 181 OE2 GLU L 14H -7.734 5.163 33.995 1.00 43.42 O +ATOM 182 N SER L 14I -1.012 3.894 35.412 1.00 26.64 N +ATOM 183 CA SER L 14I -0.118 2.994 36.205 1.00 28.38 C +ATOM 184 C SER L 14I 0.953 3.784 36.970 1.00 29.21 C +ATOM 185 O SER L 14I 1.685 3.205 37.785 1.00 30.32 O +ATOM 186 CB SER L 14I 0.546 1.995 35.273 1.00 26.76 C +ATOM 187 OG SER L 14I 1.527 2.626 34.440 1.00 26.27 O +ATOM 188 N TYR L 14J 1.134 5.021 36.595 1.00 29.71 N +ATOM 189 CA TYR L 14J 2.164 5.937 37.054 1.00 31.38 C +ATOM 190 C TYR L 14J 1.671 6.599 38.322 1.00 34.51 C +ATOM 191 O TYR L 14J 1.146 7.709 38.192 1.00 35.41 O +ATOM 192 CB TYR L 14J 2.497 6.986 35.993 1.00 26.63 C +ATOM 193 CG TYR L 14J 2.996 6.541 34.653 1.00 27.22 C +ATOM 194 CD1 TYR L 14J 3.543 5.261 34.480 1.00 25.01 C +ATOM 195 CD2 TYR L 14J 2.930 7.388 33.520 1.00 26.08 C +ATOM 196 CE1 TYR L 14J 3.866 4.827 33.193 1.00 27.70 C +ATOM 197 CE2 TYR L 14J 3.412 6.992 32.279 1.00 24.84 C +ATOM 198 CZ TYR L 14J 3.856 5.702 32.087 1.00 27.55 C +ATOM 199 OH TYR L 14J 4.260 5.239 30.842 1.00 24.38 O +ATOM 200 N ILE L 14K 1.794 5.927 39.444 1.00 36.84 N +ATOM 201 CA ILE L 14K 1.345 6.506 40.743 1.00 39.69 C +ATOM 202 C ILE L 14K 0.014 5.755 41.031 1.00 41.10 C +ATOM 203 O ILE L 14K 0.229 4.528 41.260 1.00 43.24 O +TER 204 ILE L 14K +ATOM 205 N ILE H 16 5.006 -9.272 18.209 1.00 18.00 N +ATOM 206 CA ILE H 16 4.289 -8.948 19.452 1.00 18.46 C +ATOM 207 C ILE H 16 3.264 -10.040 19.684 1.00 21.62 C +ATOM 208 O ILE H 16 2.401 -10.298 18.813 1.00 22.36 O +ATOM 209 CB ILE H 16 3.649 -7.510 19.422 1.00 20.13 C +ATOM 210 CG1 ILE H 16 4.598 -6.342 19.038 1.00 16.87 C +ATOM 211 CG2 ILE H 16 2.823 -7.212 20.706 1.00 17.00 C +ATOM 212 CD1 ILE H 16 5.740 -6.135 20.083 1.00 17.05 C +ATOM 213 N VAL H 17 3.196 -10.623 20.870 1.00 22.67 N +ATOM 214 CA VAL H 17 2.251 -11.640 21.335 1.00 24.14 C +ATOM 215 C VAL H 17 1.213 -11.007 22.252 1.00 25.33 C +ATOM 216 O VAL H 17 1.390 -10.263 23.236 1.00 26.75 O +ATOM 217 CB VAL H 17 2.941 -12.886 21.985 1.00 22.11 C +ATOM 218 CG1 VAL H 17 1.887 -13.875 22.432 1.00 21.21 C +ATOM 219 CG2 VAL H 17 4.016 -13.485 21.128 1.00 18.47 C +ATOM 220 N GLU H 18 -0.064 -11.226 21.872 1.00 26.46 N +ATOM 221 CA GLU H 18 -1.235 -10.713 22.558 1.00 25.57 C +ATOM 222 C GLU H 18 -1.369 -9.196 22.525 1.00 25.17 C +ATOM 223 O GLU H 18 -1.849 -8.686 23.568 1.00 25.14 O +ATOM 224 CB GLU H 18 -1.302 -11.052 24.049 1.00 31.69 C +ATOM 225 CG GLU H 18 -1.463 -12.554 24.287 1.00 41.45 C +ATOM 226 CD GLU H 18 -2.891 -13.036 24.336 1.00 46.71 C +ATOM 227 OE1 GLU H 18 -3.557 -12.394 25.199 1.00 50.00 O +ATOM 228 OE2 GLU H 18 -3.297 -13.991 23.683 1.00 50.00 O +ATOM 229 N GLY H 19 -0.915 -8.626 21.436 1.00 25.00 N +ATOM 230 CA GLY H 19 -0.948 -7.187 21.202 1.00 24.77 C +ATOM 231 C GLY H 19 -2.218 -6.886 20.368 1.00 26.81 C +ATOM 232 O GLY H 19 -3.161 -7.694 20.297 1.00 26.00 O +ATOM 233 N SER H 20 -2.192 -5.666 19.818 1.00 26.26 N +ATOM 234 CA SER H 20 -3.365 -5.232 19.010 1.00 25.89 C +ATOM 235 C SER H 20 -2.775 -4.289 17.987 1.00 24.83 C +ATOM 236 O SER H 20 -1.557 -4.036 17.966 1.00 23.59 O +ATOM 237 CB SER H 20 -4.468 -4.736 19.894 1.00 29.18 C +ATOM 238 OG SER H 20 -4.155 -3.462 20.424 1.00 33.92 O +ATOM 239 N ASP H 21 -3.574 -4.169 16.917 1.00 24.63 N +ATOM 240 CA ASP H 21 -3.168 -3.338 15.769 1.00 24.12 C +ATOM 241 C ASP H 21 -2.978 -1.886 16.253 1.00 23.22 C +ATOM 242 O ASP H 21 -3.817 -1.383 17.002 1.00 23.09 O +ATOM 243 CB ASP H 21 -4.275 -3.390 14.720 1.00 26.77 C +ATOM 244 CG ASP H 21 -4.272 -4.691 13.931 1.00 31.32 C +ATOM 245 OD1 ASP H 21 -3.741 -5.715 14.319 1.00 29.36 O +ATOM 246 OD2 ASP H 21 -4.773 -4.559 12.770 1.00 38.88 O +ATOM 247 N ALA H 22 -1.871 -1.345 15.828 1.00 23.52 N +ATOM 248 CA ALA H 22 -1.634 0.072 16.185 1.00 23.33 C +ATOM 249 C ALA H 22 -2.573 0.943 15.325 1.00 24.24 C +ATOM 250 O ALA H 22 -3.031 0.541 14.231 1.00 24.34 O +ATOM 251 CB ALA H 22 -0.197 0.344 15.841 1.00 20.32 C +ATOM 252 N GLU H 23 -2.837 2.123 15.860 1.00 23.82 N +ATOM 253 CA GLU H 23 -3.546 3.191 15.143 1.00 22.74 C +ATOM 254 C GLU H 23 -2.580 3.859 14.204 1.00 21.74 C +ATOM 255 O GLU H 23 -1.354 3.888 14.437 1.00 20.95 O +ATOM 256 CB GLU H 23 -4.019 4.278 16.112 1.00 19.49 C +ATOM 257 CG GLU H 23 -5.054 3.759 17.092 1.00 24.35 C +ATOM 258 CD GLU H 23 -5.538 4.709 18.159 1.00 28.76 C +ATOM 259 OE1 GLU H 23 -6.316 5.609 17.843 1.00 31.88 O +ATOM 260 OE2 GLU H 23 -5.321 4.329 19.331 1.00 29.89 O +ATOM 261 N ILE H 24 -3.091 4.510 13.166 1.00 21.43 N +ATOM 262 CA ILE H 24 -2.175 5.193 12.217 1.00 20.74 C +ATOM 263 C ILE H 24 -1.479 6.323 13.016 1.00 20.50 C +ATOM 264 O ILE H 24 -2.195 6.988 13.751 1.00 20.47 O +ATOM 265 CB ILE H 24 -2.992 5.702 10.974 1.00 19.53 C +ATOM 266 CG1 ILE H 24 -3.661 4.500 10.253 1.00 21.84 C +ATOM 267 CG2 ILE H 24 -2.017 6.422 9.995 1.00 19.12 C +ATOM 268 CD1 ILE H 24 -2.567 3.569 9.692 1.00 24.10 C +ATOM 269 N GLY H 25 -0.222 6.519 12.778 1.00 20.93 N +ATOM 270 CA GLY H 25 0.658 7.487 13.409 1.00 21.31 C +ATOM 271 C GLY H 25 0.824 7.287 14.920 1.00 20.95 C +ATOM 272 O GLY H 25 1.237 8.274 15.562 1.00 20.35 O +ATOM 273 N MET H 26 0.477 6.146 15.493 1.00 20.22 N +ATOM 274 CA MET H 26 0.601 5.994 16.965 1.00 19.41 C +ATOM 275 C MET H 26 2.089 5.890 17.386 1.00 18.39 C +ATOM 276 O MET H 26 2.394 6.251 18.531 1.00 19.23 O +ATOM 277 CB MET H 26 -0.143 4.752 17.354 1.00 20.64 C +ATOM 278 CG MET H 26 -0.656 4.594 18.745 1.00 23.70 C +ATOM 279 SD MET H 26 -0.862 2.768 18.926 1.00 28.83 S +ATOM 280 CE MET H 26 -1.963 2.717 20.331 1.00 26.00 C +ATOM 281 N SER H 27 2.933 5.415 16.530 1.00 16.27 N +ATOM 282 CA SER H 27 4.368 5.208 16.862 1.00 17.12 C +ATOM 283 C SER H 27 5.246 5.619 15.738 1.00 14.64 C +ATOM 284 O SER H 27 5.898 4.930 14.957 1.00 14.70 O +ATOM 285 CB SER H 27 4.464 3.761 17.397 1.00 20.90 C +ATOM 286 OG SER H 27 5.868 3.496 17.419 1.00 24.38 O +ATOM 287 N PRO H 28 5.380 6.961 15.577 1.00 15.97 N +ATOM 288 CA PRO H 28 5.996 7.545 14.389 1.00 16.31 C +ATOM 289 C PRO H 28 7.486 7.457 14.331 1.00 16.18 C +ATOM 290 O PRO H 28 8.106 7.817 13.320 1.00 14.94 O +ATOM 291 CB PRO H 28 5.573 9.028 14.357 1.00 16.23 C +ATOM 292 CG PRO H 28 5.164 9.263 15.766 1.00 15.06 C +ATOM 293 CD PRO H 28 4.752 7.993 16.418 1.00 13.91 C +ATOM 294 N TRP H 29 8.049 7.046 15.479 1.00 15.48 N +ATOM 295 CA TRP H 29 9.529 6.822 15.480 1.00 14.57 C +ATOM 296 C TRP H 29 9.834 5.360 15.196 1.00 15.24 C +ATOM 297 O TRP H 29 11.002 5.014 15.053 1.00 15.39 O +ATOM 298 CB TRP H 29 10.044 7.135 16.922 1.00 15.71 C +ATOM 299 CG TRP H 29 9.029 6.737 17.951 1.00 13.03 C +ATOM 300 CD1 TRP H 29 8.765 5.476 18.449 1.00 13.65 C +ATOM 301 CD2 TRP H 29 8.067 7.597 18.558 1.00 12.63 C +ATOM 302 NE1 TRP H 29 7.741 5.512 19.328 1.00 12.17 N +ATOM 303 CE2 TRP H 29 7.305 6.800 19.421 1.00 12.32 C +ATOM 304 CE3 TRP H 29 7.861 8.969 18.511 1.00 14.75 C +ATOM 305 CZ2 TRP H 29 6.252 7.333 20.172 1.00 15.46 C +ATOM 306 CZ3 TRP H 29 6.857 9.524 19.290 1.00 14.88 C +ATOM 307 CH2 TRP H 29 6.113 8.700 20.109 1.00 15.02 C +ATOM 308 N GLN H 30 8.838 4.531 14.959 1.00 17.28 N +ATOM 309 CA GLN H 30 9.059 3.110 14.641 1.00 17.51 C +ATOM 310 C GLN H 30 9.750 2.951 13.310 1.00 19.03 C +ATOM 311 O GLN H 30 9.366 3.598 12.280 1.00 20.01 O +ATOM 312 CB GLN H 30 7.790 2.299 14.699 1.00 19.34 C +ATOM 313 CG GLN H 30 7.929 0.823 14.436 1.00 17.15 C +ATOM 314 CD GLN H 30 8.558 0.046 15.569 1.00 17.30 C +ATOM 315 OE1 GLN H 30 8.098 0.299 16.654 1.00 20.69 O +ATOM 316 NE2 GLN H 30 9.402 -0.904 15.198 1.00 21.27 N +ATOM 317 N VAL H 31 10.838 2.190 13.332 1.00 16.74 N +ATOM 318 CA VAL H 31 11.625 1.974 12.153 1.00 17.96 C +ATOM 319 C VAL H 31 11.613 0.492 11.772 1.00 19.31 C +ATOM 320 O VAL H 31 11.628 -0.360 12.711 1.00 19.16 O +ATOM 321 CB VAL H 31 13.047 2.568 12.238 1.00 17.69 C +ATOM 322 CG1 VAL H 31 13.856 2.179 10.994 1.00 17.76 C +ATOM 323 CG2 VAL H 31 13.089 4.053 12.490 1.00 15.35 C +ATOM 324 N MET H 32 11.777 0.162 10.493 1.00 18.34 N +ATOM 325 CA MET H 32 11.830 -1.295 10.156 1.00 19.33 C +ATOM 326 C MET H 32 13.214 -1.480 9.544 1.00 19.74 C +ATOM 327 O MET H 32 13.590 -0.693 8.659 1.00 18.74 O +ATOM 328 CB MET H 32 10.746 -1.763 9.147 1.00 21.17 C +ATOM 329 CG MET H 32 11.035 -3.165 8.612 1.00 20.84 C +ATOM 330 SD MET H 32 9.755 -3.574 7.310 1.00 22.36 S +ATOM 331 CE MET H 32 8.275 -3.732 8.209 1.00 17.40 C +ATOM 332 N LEU H 33 13.971 -2.440 10.065 1.00 19.91 N +ATOM 333 CA LEU H 33 15.236 -2.888 9.516 1.00 22.36 C +ATOM 334 C LEU H 33 14.889 -3.997 8.495 1.00 22.11 C +ATOM 335 O LEU H 33 14.346 -5.055 8.835 1.00 23.62 O +ATOM 336 CB LEU H 33 16.173 -3.438 10.651 1.00 24.80 C +ATOM 337 CG LEU H 33 17.397 -2.585 10.944 1.00 25.86 C +ATOM 338 CD1 LEU H 33 16.966 -1.179 11.274 1.00 25.67 C +ATOM 339 CD2 LEU H 33 18.120 -3.179 12.150 1.00 23.89 C +ATOM 340 N PHE H 34 15.306 -3.741 7.298 1.00 23.99 N +ATOM 341 CA PHE H 34 14.858 -4.571 6.127 1.00 26.50 C +ATOM 342 C PHE H 34 16.054 -5.035 5.318 1.00 28.00 C +ATOM 343 O PHE H 34 16.911 -4.248 4.865 1.00 28.42 O +ATOM 344 CB PHE H 34 13.897 -3.679 5.287 1.00 28.04 C +ATOM 345 CG PHE H 34 13.153 -4.439 4.209 1.00 27.44 C +ATOM 346 CD1 PHE H 34 12.124 -5.321 4.595 1.00 28.85 C +ATOM 347 CD2 PHE H 34 13.656 -4.438 2.907 1.00 26.68 C +ATOM 348 CE1 PHE H 34 11.480 -6.100 3.643 1.00 28.99 C +ATOM 349 CE2 PHE H 34 13.019 -5.231 1.934 1.00 28.27 C +ATOM 350 CZ PHE H 34 11.948 -6.041 2.331 1.00 27.55 C +ATOM 351 N ARG H 35 16.132 -6.363 5.206 1.00 29.69 N +ATOM 352 CA ARG H 35 17.246 -6.951 4.425 1.00 32.22 C +ATOM 353 C ARG H 35 17.046 -6.751 2.929 1.00 34.40 C +ATOM 354 O ARG H 35 15.909 -6.820 2.402 1.00 34.90 O +ATOM 355 CB ARG H 35 17.325 -8.429 4.813 1.00 32.94 C +ATOM 356 CG ARG H 35 18.671 -8.974 4.354 1.00 35.87 C +ATOM 357 CD ARG H 35 18.821 -10.362 4.882 1.00 38.70 C +ATOM 358 NE ARG H 35 20.147 -10.783 4.379 1.00 42.64 N +ATOM 359 CZ ARG H 35 20.538 -12.024 4.740 1.00 43.83 C +ATOM 360 NH1 ARG H 35 19.755 -12.779 5.516 1.00 41.38 N +ATOM 361 NH2 ARG H 35 21.753 -12.318 4.276 1.00 45.03 N +ATOM 362 N LYS H 36 18.113 -6.415 2.214 1.00 36.59 N +ATOM 363 CA LYS H 36 18.016 -6.175 0.756 1.00 38.46 C +ATOM 364 C LYS H 36 17.787 -7.471 -0.021 1.00 39.84 C +ATOM 365 O LYS H 36 16.886 -7.496 -0.881 1.00 41.46 O +ATOM 366 CB LYS H 36 19.214 -5.526 0.144 1.00 36.13 C +ATOM 367 CG LYS H 36 19.455 -4.069 0.535 1.00 36.91 C +ATOM 368 CD LYS H 36 20.724 -3.628 -0.182 1.00 37.63 C +ATOM 369 CE LYS H 36 20.894 -2.136 -0.127 1.00 40.58 C +ATOM 370 NZ LYS H 36 22.321 -1.755 -0.335 1.00 42.58 N +ATOM 371 N SER H 36A 18.449 -8.537 0.358 1.00 40.23 N +ATOM 372 CA SER H 36A 18.338 -9.784 -0.413 1.00 41.21 C +ATOM 373 C SER H 36A 18.842 -10.957 0.405 1.00 41.02 C +ATOM 374 O SER H 36A 20.065 -10.944 0.652 1.00 41.56 O +ATOM 375 CB SER H 36A 19.280 -9.642 -1.630 1.00 43.76 C +ATOM 376 OG SER H 36A 18.866 -10.532 -2.670 1.00 48.38 O +ATOM 377 N PRO H 37 18.000 -11.921 0.721 1.00 41.12 N +ATOM 378 CA PRO H 37 16.581 -11.965 0.399 1.00 40.74 C +ATOM 379 C PRO H 37 15.901 -10.756 1.039 1.00 40.99 C +ATOM 380 O PRO H 37 16.391 -10.347 2.106 1.00 41.62 O +ATOM 381 CB PRO H 37 16.058 -13.217 1.096 1.00 41.20 C +ATOM 382 CG PRO H 37 17.164 -13.785 1.921 1.00 41.23 C +ATOM 383 CD PRO H 37 18.438 -13.046 1.549 1.00 41.39 C +ATOM 384 N GLN H 38 14.739 -10.399 0.566 1.00 40.36 N +ATOM 385 CA GLN H 38 13.980 -9.281 1.159 1.00 39.71 C +ATOM 386 C GLN H 38 13.354 -9.835 2.413 1.00 38.89 C +ATOM 387 O GLN H 38 12.957 -11.019 2.380 1.00 39.57 O +ATOM 388 CB GLN H 38 12.963 -8.714 0.157 1.00 42.47 C +ATOM 389 CG GLN H 38 13.756 -8.069 -0.954 1.00 45.27 C +ATOM 390 CD GLN H 38 13.197 -6.911 -1.709 1.00 47.96 C +ATOM 391 OE1 GLN H 38 11.991 -6.686 -1.839 1.00 50.00 O +ATOM 392 NE2 GLN H 38 14.167 -6.186 -2.280 1.00 49.60 N +ATOM 393 N GLU H 39 13.496 -9.154 3.532 1.00 36.68 N +ATOM 394 CA GLU H 39 12.870 -9.726 4.756 1.00 34.95 C +ATOM 395 C GLU H 39 13.035 -8.704 5.898 1.00 32.15 C +ATOM 396 O GLU H 39 13.972 -7.900 5.781 1.00 30.37 O +ATOM 397 CB GLU H 39 13.447 -11.049 5.207 1.00 37.70 C +ATOM 398 CG GLU H 39 14.956 -11.147 5.293 1.00 42.87 C +ATOM 399 CD GLU H 39 15.514 -12.507 5.569 1.00 48.14 C +ATOM 400 OE1 GLU H 39 14.690 -13.443 5.675 1.00 50.00 O +ATOM 401 OE2 GLU H 39 16.712 -12.751 5.645 1.00 50.00 O +ATOM 402 N LEU H 40 12.111 -8.792 6.838 1.00 30.57 N +ATOM 403 CA LEU H 40 12.188 -7.859 7.969 1.00 29.13 C +ATOM 404 C LEU H 40 13.332 -8.389 8.864 1.00 29.71 C +ATOM 405 O LEU H 40 13.295 -9.589 9.187 1.00 29.88 O +ATOM 406 CB LEU H 40 10.857 -7.843 8.688 1.00 26.80 C +ATOM 407 CG LEU H 40 10.955 -7.485 10.170 1.00 28.52 C +ATOM 408 CD1 LEU H 40 11.108 -5.995 10.413 1.00 29.36 C +ATOM 409 CD2 LEU H 40 9.793 -8.088 10.940 1.00 28.12 C +ATOM 410 N LEU H 41 14.318 -7.547 9.151 1.00 28.75 N +ATOM 411 CA LEU H 41 15.434 -7.946 10.037 1.00 26.25 C +ATOM 412 C LEU H 41 15.101 -7.684 11.507 1.00 25.73 C +ATOM 413 O LEU H 41 15.315 -8.573 12.364 1.00 26.99 O +ATOM 414 CB LEU H 41 16.656 -7.147 9.591 1.00 28.79 C +ATOM 415 CG LEU H 41 17.653 -7.903 8.764 1.00 33.93 C +ATOM 416 CD1 LEU H 41 17.043 -9.161 8.127 1.00 33.56 C +ATOM 417 CD2 LEU H 41 18.228 -6.980 7.685 1.00 34.08 C +ATOM 418 N CYS H 42 14.505 -6.556 11.854 1.00 22.26 N +ATOM 419 CA CYS H 42 14.291 -6.157 13.258 1.00 19.84 C +ATOM 420 C CYS H 42 13.519 -4.833 13.217 1.00 18.48 C +ATOM 421 O CYS H 42 13.524 -4.222 12.129 1.00 18.86 O +ATOM 422 CB CYS H 42 15.710 -5.792 13.767 1.00 17.14 C +ATOM 423 SG CYS H 42 16.580 -7.094 14.674 1.00 18.77 S +ATOM 424 N GLY H 43 13.139 -4.424 14.418 1.00 17.48 N +ATOM 425 CA GLY H 43 12.582 -3.058 14.648 1.00 15.52 C +ATOM 426 C GLY H 43 13.804 -2.153 14.920 1.00 16.79 C +ATOM 427 O GLY H 43 14.965 -2.607 15.198 1.00 16.83 O +ATOM 428 N ALA H 44 13.456 -0.897 15.122 1.00 15.56 N +ATOM 429 CA ALA H 44 14.448 0.147 15.456 1.00 15.65 C +ATOM 430 C ALA H 44 13.648 1.393 15.828 1.00 15.49 C +ATOM 431 O ALA H 44 12.389 1.273 15.712 1.00 16.57 O +ATOM 432 CB ALA H 44 15.436 0.291 14.339 1.00 12.77 C +ATOM 433 N SER H 45 14.348 2.486 16.082 1.00 15.03 N +ATOM 434 CA SER H 45 13.691 3.747 16.425 1.00 16.24 C +ATOM 435 C SER H 45 14.420 4.994 15.935 1.00 16.84 C +ATOM 436 O SER H 45 15.616 5.060 15.743 1.00 18.12 O +ATOM 437 CB SER H 45 13.272 3.925 17.881 1.00 18.08 C +ATOM 438 OG SER H 45 14.529 4.146 18.543 1.00 24.46 O +ATOM 439 N LEU H 46 13.628 6.034 15.630 1.00 16.51 N +ATOM 440 CA LEU H 46 14.167 7.260 15.045 1.00 17.23 C +ATOM 441 C LEU H 46 14.341 8.260 16.174 1.00 16.52 C +ATOM 442 O LEU H 46 13.321 8.621 16.798 1.00 16.69 O +ATOM 443 CB LEU H 46 13.121 7.786 14.018 1.00 19.25 C +ATOM 444 CG LEU H 46 13.662 9.013 13.261 1.00 20.25 C +ATOM 445 CD1 LEU H 46 14.748 8.574 12.323 1.00 20.05 C +ATOM 446 CD2 LEU H 46 12.536 9.729 12.494 1.00 21.48 C +ATOM 447 N ILE H 47 15.586 8.638 16.492 1.00 17.90 N +ATOM 448 CA ILE H 47 15.769 9.610 17.600 1.00 18.60 C +ATOM 449 C ILE H 47 16.187 10.986 17.050 1.00 21.47 C +ATOM 450 O ILE H 47 16.057 11.952 17.788 1.00 21.59 O +ATOM 451 CB ILE H 47 16.815 9.044 18.664 1.00 20.50 C +ATOM 452 CG1 ILE H 47 18.161 8.886 17.981 1.00 20.29 C +ATOM 453 CG2 ILE H 47 16.224 7.705 19.240 1.00 18.48 C +ATOM 454 CD1 ILE H 47 19.438 8.357 18.681 1.00 22.54 C +ATOM 455 N SER H 48 16.476 11.080 15.763 1.00 22.71 N +ATOM 456 CA SER H 48 16.740 12.392 15.126 1.00 24.52 C +ATOM 457 C SER H 48 16.489 12.224 13.626 1.00 25.99 C +ATOM 458 O SER H 48 16.110 11.102 13.199 1.00 25.53 O +ATOM 459 CB SER H 48 18.119 12.887 15.461 1.00 21.79 C +ATOM 460 OG SER H 48 19.015 12.662 14.395 1.00 28.25 O +ATOM 461 N ASP H 49 16.772 13.282 12.829 1.00 26.69 N +ATOM 462 CA ASP H 49 16.527 13.124 11.377 1.00 27.60 C +ATOM 463 C ASP H 49 17.542 12.278 10.649 1.00 27.19 C +ATOM 464 O ASP H 49 17.349 11.784 9.511 1.00 27.46 O +ATOM 465 CB ASP H 49 16.364 14.542 10.786 1.00 33.35 C +ATOM 466 CG ASP H 49 17.664 15.282 10.895 1.00 33.02 C +ATOM 467 OD1 ASP H 49 18.370 15.035 11.894 1.00 41.99 O +ATOM 468 OD2 ASP H 49 18.082 16.050 10.043 1.00 38.10 O +ATOM 469 N ARG H 50 18.647 12.004 11.317 1.00 26.18 N +ATOM 470 CA ARG H 50 19.777 11.240 10.786 1.00 25.40 C +ATOM 471 C ARG H 50 20.224 10.007 11.600 1.00 24.43 C +ATOM 472 O ARG H 50 21.215 9.392 11.187 1.00 22.77 O +ATOM 473 CB ARG H 50 20.987 12.216 11.008 1.00 31.65 C +ATOM 474 CG ARG H 50 21.553 12.767 9.727 1.00 38.26 C +ATOM 475 CD ARG H 50 22.011 11.655 8.821 1.00 42.32 C +ATOM 476 NE ARG H 50 22.960 12.237 7.877 1.00 46.40 N +ATOM 477 CZ ARG H 50 24.031 11.697 7.323 1.00 48.36 C +ATOM 478 NH1 ARG H 50 24.428 10.440 7.495 1.00 50.00 N +ATOM 479 NH2 ARG H 50 24.854 12.526 6.667 1.00 50.00 N +ATOM 480 N TRP H 51 19.653 9.755 12.747 1.00 23.76 N +ATOM 481 CA TRP H 51 20.099 8.648 13.643 1.00 21.81 C +ATOM 482 C TRP H 51 18.966 7.695 13.991 1.00 20.37 C +ATOM 483 O TRP H 51 17.910 8.122 14.443 1.00 17.92 O +ATOM 484 CB TRP H 51 20.728 9.196 14.941 1.00 22.04 C +ATOM 485 CG TRP H 51 22.075 9.800 14.769 1.00 24.98 C +ATOM 486 CD1 TRP H 51 22.259 11.161 14.555 1.00 26.73 C +ATOM 487 CD2 TRP H 51 23.352 9.206 14.572 1.00 25.82 C +ATOM 488 NE1 TRP H 51 23.566 11.402 14.232 1.00 26.90 N +ATOM 489 CE2 TRP H 51 24.289 10.255 14.342 1.00 26.54 C +ATOM 490 CE3 TRP H 51 23.831 7.906 14.693 1.00 26.67 C +ATOM 491 CZ2 TRP H 51 25.669 10.080 14.278 1.00 26.08 C +ATOM 492 CZ3 TRP H 51 25.195 7.705 14.504 1.00 28.24 C +ATOM 493 CH2 TRP H 51 26.109 8.747 14.313 1.00 28.71 C +ATOM 494 N VAL H 52 19.347 6.397 13.937 1.00 20.44 N +ATOM 495 CA VAL H 52 18.437 5.304 14.254 1.00 20.42 C +ATOM 496 C VAL H 52 18.959 4.423 15.394 1.00 20.78 C +ATOM 497 O VAL H 52 20.092 3.969 15.337 1.00 22.05 O +ATOM 498 CB VAL H 52 18.152 4.484 12.954 1.00 20.35 C +ATOM 499 CG1 VAL H 52 17.338 3.237 13.308 1.00 20.36 C +ATOM 500 CG2 VAL H 52 17.296 5.334 11.966 1.00 23.61 C +ATOM 501 N LEU H 53 18.165 4.114 16.390 1.00 20.77 N +ATOM 502 CA LEU H 53 18.652 3.279 17.532 1.00 19.40 C +ATOM 503 C LEU H 53 18.099 1.870 17.380 1.00 18.81 C +ATOM 504 O LEU H 53 16.916 1.748 17.034 1.00 18.11 O +ATOM 505 CB LEU H 53 18.117 3.957 18.785 1.00 17.99 C +ATOM 506 CG LEU H 53 18.586 3.372 20.118 1.00 20.69 C +ATOM 507 CD1 LEU H 53 20.099 3.486 20.228 1.00 17.27 C +ATOM 508 CD2 LEU H 53 17.920 4.273 21.160 1.00 18.56 C +ATOM 509 N THR H 54 18.911 0.867 17.681 1.00 17.28 N +ATOM 510 CA THR H 54 18.416 -0.522 17.625 1.00 17.59 C +ATOM 511 C THR H 54 19.298 -1.366 18.550 1.00 18.16 C +ATOM 512 O THR H 54 20.161 -0.795 19.243 1.00 17.74 O +ATOM 513 CB THR H 54 18.533 -1.028 16.116 1.00 17.17 C +ATOM 514 OG1 THR H 54 17.676 -2.192 16.012 1.00 17.60 O +ATOM 515 CG2 THR H 54 19.921 -1.292 15.540 1.00 20.69 C +ATOM 516 N ALA H 55 19.031 -2.626 18.564 1.00 18.32 N +ATOM 517 CA ALA H 55 19.768 -3.647 19.363 1.00 17.96 C +ATOM 518 C ALA H 55 20.908 -4.155 18.569 1.00 18.13 C +ATOM 519 O ALA H 55 20.924 -4.325 17.307 1.00 18.81 O +ATOM 520 CB ALA H 55 18.765 -4.711 19.828 1.00 16.64 C +ATOM 521 N ALA H 56 22.089 -4.174 19.248 1.00 18.21 N +ATOM 522 CA ALA H 56 23.286 -4.708 18.542 1.00 17.97 C +ATOM 523 C ALA H 56 23.073 -6.114 17.980 1.00 15.89 C +ATOM 524 O ALA H 56 23.730 -6.521 16.979 1.00 17.41 O +ATOM 525 CB ALA H 56 24.521 -4.631 19.483 1.00 19.87 C +ATOM 526 N HIS H 57 22.315 -6.938 18.666 1.00 16.60 N +ATOM 527 CA HIS H 57 22.144 -8.330 18.204 1.00 18.56 C +ATOM 528 C HIS H 57 21.362 -8.452 16.877 1.00 20.21 C +ATOM 529 O HIS H 57 21.313 -9.544 16.287 1.00 19.81 O +ATOM 530 CB HIS H 57 21.493 -9.273 19.243 1.00 16.75 C +ATOM 531 CG HIS H 57 20.015 -9.106 19.397 1.00 19.81 C +ATOM 532 ND1 HIS H 57 19.370 -8.408 20.380 1.00 15.09 N +ATOM 533 CD2 HIS H 57 19.013 -9.566 18.543 1.00 18.23 C +ATOM 534 CE1 HIS H 57 18.046 -8.488 20.194 1.00 20.84 C +ATOM 535 NE2 HIS H 57 17.829 -9.193 19.088 1.00 20.06 N +ATOM 536 N CYS H 58 20.778 -7.339 16.446 1.00 21.35 N +ATOM 537 CA CYS H 58 20.070 -7.265 15.140 1.00 22.36 C +ATOM 538 C CYS H 58 21.086 -7.265 14.022 1.00 23.91 C +ATOM 539 O CYS H 58 20.880 -7.806 12.925 1.00 24.88 O +ATOM 540 CB CYS H 58 19.285 -5.933 15.067 1.00 18.43 C +ATOM 541 SG CYS H 58 17.769 -6.025 15.970 1.00 18.50 S +ATOM 542 N LEU H 59 22.256 -6.710 14.378 1.00 23.34 N +ATOM 543 CA LEU H 59 23.373 -6.606 13.470 1.00 23.36 C +ATOM 544 C LEU H 59 24.450 -7.659 13.605 1.00 23.14 C +ATOM 545 O LEU H 59 24.970 -8.111 12.592 1.00 23.61 O +ATOM 546 CB LEU H 59 23.945 -5.184 13.669 1.00 25.81 C +ATOM 547 CG LEU H 59 23.448 -4.065 12.795 1.00 29.28 C +ATOM 548 CD1 LEU H 59 22.057 -4.292 12.163 1.00 30.50 C +ATOM 549 CD2 LEU H 59 23.441 -2.793 13.625 1.00 30.55 C +ATOM 550 N LEU H 60 24.813 -7.994 14.824 1.00 23.49 N +ATOM 551 CA LEU H 60 25.975 -8.856 15.112 1.00 22.56 C +ATOM 552 C LEU H 60 25.640 -9.878 16.168 1.00 22.70 C +ATOM 553 O LEU H 60 25.215 -9.545 17.305 1.00 23.26 O +ATOM 554 CB LEU H 60 27.153 -7.935 15.495 1.00 25.32 C +ATOM 555 CG LEU H 60 28.434 -8.664 15.934 1.00 26.29 C +ATOM 556 CD1 LEU H 60 29.183 -9.208 14.715 1.00 26.53 C +ATOM 557 CD2 LEU H 60 29.315 -7.743 16.758 1.00 25.15 C +ATOM 558 N TYR H 60A 25.730 -11.125 15.721 1.00 22.81 N +ATOM 559 CA TYR H 60A 25.442 -12.288 16.592 1.00 23.06 C +ATOM 560 C TYR H 60A 26.225 -13.484 16.018 1.00 23.11 C +ATOM 561 O TYR H 60A 25.687 -14.404 15.423 1.00 22.30 O +ATOM 562 CB TYR H 60A 23.957 -12.567 16.769 1.00 24.44 C +ATOM 563 CG TYR H 60A 23.671 -13.512 17.908 1.00 26.24 C +ATOM 564 CD1 TYR H 60A 24.119 -13.113 19.175 1.00 26.53 C +ATOM 565 CD2 TYR H 60A 23.162 -14.810 17.753 1.00 24.85 C +ATOM 566 CE1 TYR H 60A 23.930 -13.964 20.276 1.00 27.61 C +ATOM 567 CE2 TYR H 60A 23.010 -15.665 18.840 1.00 27.80 C +ATOM 568 CZ TYR H 60A 23.436 -15.248 20.105 1.00 28.70 C +ATOM 569 OH TYR H 60A 23.374 -16.099 21.170 1.00 28.28 O +ATOM 570 N PRO H 60B 27.528 -13.485 16.360 1.00 23.70 N +ATOM 571 CA PRO H 60B 28.442 -14.512 15.839 1.00 24.70 C +ATOM 572 C PRO H 60B 28.050 -15.960 15.962 1.00 24.74 C +ATOM 573 O PRO H 60B 28.264 -16.795 15.042 1.00 26.22 O +ATOM 574 CB PRO H 60B 29.840 -14.073 16.355 1.00 24.94 C +ATOM 575 CG PRO H 60B 29.695 -12.664 16.861 1.00 24.13 C +ATOM 576 CD PRO H 60B 28.211 -12.401 17.075 1.00 22.89 C +ATOM 577 N PRO H 60C 27.460 -16.362 17.067 1.00 25.13 N +ATOM 578 CA PRO H 60C 27.035 -17.727 17.278 1.00 26.17 C +ATOM 579 C PRO H 60C 26.123 -18.224 16.162 1.00 28.45 C +ATOM 580 O PRO H 60C 26.083 -19.457 15.983 1.00 29.25 O +ATOM 581 CB PRO H 60C 26.419 -17.763 18.662 1.00 25.01 C +ATOM 582 CG PRO H 60C 26.728 -16.458 19.322 1.00 25.19 C +ATOM 583 CD PRO H 60C 27.226 -15.518 18.269 1.00 25.01 C +ATOM 584 N TRP H 60D 25.302 -17.341 15.619 1.00 28.18 N +ATOM 585 CA TRP H 60D 24.366 -17.711 14.547 1.00 28.91 C +ATOM 586 C TRP H 60D 24.984 -17.261 13.237 1.00 30.56 C +ATOM 587 O TRP H 60D 24.276 -17.107 12.217 1.00 32.58 O +ATOM 588 CB TRP H 60D 22.987 -17.183 14.832 1.00 26.50 C +ATOM 589 CG TRP H 60D 22.135 -17.817 15.872 1.00 28.04 C +ATOM 590 CD1 TRP H 60D 22.432 -18.771 16.801 1.00 27.06 C +ATOM 591 CD2 TRP H 60D 20.729 -17.510 16.123 1.00 29.74 C +ATOM 592 NE1 TRP H 60D 21.366 -19.041 17.645 1.00 29.84 N +ATOM 593 CE2 TRP H 60D 20.293 -18.305 17.205 1.00 29.57 C +ATOM 594 CE3 TRP H 60D 19.849 -16.609 15.538 1.00 31.67 C +ATOM 595 CZ2 TRP H 60D 18.995 -18.306 17.675 1.00 31.38 C +ATOM 596 CZ3 TRP H 60D 18.548 -16.606 16.010 1.00 34.11 C +ATOM 597 CH2 TRP H 60D 18.118 -17.417 17.071 1.00 32.21 C +ATOM 598 N ASP H 60E 26.250 -16.881 13.220 1.00 30.12 N +ATOM 599 CA ASP H 60E 26.839 -16.417 11.977 1.00 30.71 C +ATOM 600 C ASP H 60E 26.234 -15.139 11.401 1.00 29.45 C +ATOM 601 O ASP H 60E 26.414 -14.928 10.191 1.00 29.25 O +ATOM 602 CB ASP H 60E 26.837 -17.590 10.979 1.00 36.21 C +ATOM 603 CG ASP H 60E 27.876 -18.632 11.392 1.00 41.03 C +ATOM 604 OD1 ASP H 60E 29.081 -18.327 11.200 1.00 42.45 O +ATOM 605 OD2 ASP H 60E 27.512 -19.688 11.944 1.00 45.64 O +ATOM 606 N LYS H 60F 25.735 -14.238 12.187 1.00 28.77 N +ATOM 607 CA LYS H 60F 25.215 -12.920 11.783 1.00 28.80 C +ATOM 608 C LYS H 60F 26.223 -11.798 12.006 1.00 29.74 C +ATOM 609 O LYS H 60F 26.730 -11.602 13.135 1.00 28.72 O +ATOM 610 CB LYS H 60F 23.937 -12.618 12.497 1.00 30.64 C +ATOM 611 CG LYS H 60F 23.015 -11.397 12.444 1.00 31.59 C +ATOM 612 CD LYS H 60F 21.796 -11.779 13.326 1.00 31.47 C +ATOM 613 CE LYS H 60F 20.754 -10.743 13.523 1.00 29.40 C +ATOM 614 NZ LYS H 60F 19.715 -11.194 14.500 1.00 30.69 N +ATOM 615 N ASN H 60G 26.375 -11.009 10.954 1.00 29.68 N +ATOM 616 CA ASN H 60G 27.208 -9.794 10.945 1.00 31.34 C +ATOM 617 C ASN H 60G 26.774 -8.904 9.767 1.00 31.10 C +ATOM 618 O ASN H 60G 27.375 -9.017 8.684 1.00 31.32 O +ATOM 619 CB ASN H 60G 28.697 -10.124 10.958 1.00 35.48 C +ATOM 620 CG ASN H 60G 29.670 -8.970 11.047 1.00 40.04 C +ATOM 621 OD1 ASN H 60G 29.330 -7.772 11.151 1.00 42.99 O +ATOM 622 ND2 ASN H 60G 30.969 -9.302 11.075 1.00 41.20 N +ATOM 623 N PHE H 60H 25.750 -8.102 9.908 1.00 30.41 N +ATOM 624 CA PHE H 60H 25.327 -7.204 8.819 1.00 31.24 C +ATOM 625 C PHE H 60H 26.182 -5.942 8.807 1.00 32.13 C +ATOM 626 O PHE H 60H 26.624 -5.470 9.842 1.00 31.75 O +ATOM 627 CB PHE H 60H 23.878 -6.791 8.980 1.00 29.82 C +ATOM 628 CG PHE H 60H 23.046 -8.032 8.898 1.00 27.00 C +ATOM 629 CD1 PHE H 60H 23.009 -8.701 7.682 1.00 29.85 C +ATOM 630 CD2 PHE H 60H 22.252 -8.455 9.944 1.00 29.91 C +ATOM 631 CE1 PHE H 60H 22.260 -9.851 7.508 1.00 26.47 C +ATOM 632 CE2 PHE H 60H 21.425 -9.580 9.782 1.00 27.49 C +ATOM 633 CZ PHE H 60H 21.510 -10.282 8.587 1.00 27.50 C +ATOM 634 N THR H 60I 26.422 -5.481 7.600 1.00 33.09 N +ATOM 635 CA THR H 60I 27.134 -4.259 7.259 1.00 33.54 C +ATOM 636 C THR H 60I 26.083 -3.342 6.593 1.00 33.20 C +ATOM 637 O THR H 60I 24.943 -3.754 6.370 1.00 32.72 O +ATOM 638 CB THR H 60I 28.379 -4.471 6.330 1.00 37.20 C +ATOM 639 OG1 THR H 60I 27.966 -4.542 4.918 1.00 40.39 O +ATOM 640 CG2 THR H 60I 29.221 -5.679 6.765 1.00 37.68 C +ATOM 641 N GLU H 61 26.507 -2.118 6.521 1.00 33.93 N +ATOM 642 CA GLU H 61 25.803 -0.969 5.974 1.00 35.50 C +ATOM 643 C GLU H 61 25.140 -1.305 4.650 1.00 36.11 C +ATOM 644 O GLU H 61 23.920 -1.088 4.476 1.00 37.83 O +ATOM 645 CB GLU H 61 26.757 0.223 5.769 1.00 35.54 C +ATOM 646 CG GLU H 61 27.260 0.931 7.034 1.00 37.21 C +ATOM 647 CD GLU H 61 28.422 0.253 7.739 1.00 39.56 C +ATOM 648 OE1 GLU H 61 29.037 -0.707 7.273 1.00 39.97 O +ATOM 649 OE2 GLU H 61 28.769 0.781 8.817 1.00 38.18 O +ATOM 650 N ASN H 62 25.858 -1.965 3.778 1.00 35.94 N +ATOM 651 CA ASN H 62 25.421 -2.322 2.416 1.00 35.36 C +ATOM 652 C ASN H 62 24.325 -3.383 2.418 1.00 34.34 C +ATOM 653 O ASN H 62 23.711 -3.630 1.357 1.00 33.36 O +ATOM 654 N ASP H 63 24.182 -4.072 3.531 1.00 32.97 N +ATOM 655 CA ASP H 63 23.244 -5.188 3.610 1.00 32.06 C +ATOM 656 C ASP H 63 21.809 -4.756 3.803 1.00 31.25 C +ATOM 657 O ASP H 63 20.924 -5.632 3.654 1.00 32.12 O +ATOM 658 CB ASP H 63 23.626 -6.138 4.757 1.00 37.89 C +ATOM 659 CG ASP H 63 24.933 -6.852 4.490 1.00 43.16 C +ATOM 660 OD1 ASP H 63 25.040 -7.325 3.330 1.00 45.23 O +ATOM 661 OD2 ASP H 63 25.838 -6.932 5.330 1.00 44.80 O +ATOM 662 N LEU H 64 21.623 -3.569 4.324 1.00 29.76 N +ATOM 663 CA LEU H 64 20.300 -3.168 4.791 1.00 29.52 C +ATOM 664 C LEU H 64 19.758 -1.845 4.244 1.00 28.52 C +ATOM 665 O LEU H 64 20.521 -0.981 3.826 1.00 29.88 O +ATOM 666 CB LEU H 64 20.427 -2.884 6.332 1.00 32.89 C +ATOM 667 CG LEU H 64 21.413 -3.710 7.114 1.00 34.43 C +ATOM 668 CD1 LEU H 64 22.074 -3.071 8.316 1.00 34.52 C +ATOM 669 CD2 LEU H 64 20.528 -4.901 7.510 1.00 37.48 C +ATOM 670 N LEU H 65 18.483 -1.746 4.574 1.00 27.32 N +ATOM 671 CA LEU H 65 17.723 -0.524 4.375 1.00 27.73 C +ATOM 672 C LEU H 65 16.924 -0.292 5.679 1.00 25.71 C +ATOM 673 O LEU H 65 16.450 -1.198 6.301 1.00 26.16 O +ATOM 674 CB LEU H 65 16.789 -0.620 3.171 1.00 29.77 C +ATOM 675 CG LEU H 65 17.474 -0.845 1.813 1.00 32.95 C +ATOM 676 CD1 LEU H 65 16.380 -1.069 0.769 1.00 31.45 C +ATOM 677 CD2 LEU H 65 18.327 0.363 1.477 1.00 32.80 C +ATOM 678 N VAL H 66 16.679 0.962 5.926 1.00 24.84 N +ATOM 679 CA VAL H 66 15.820 1.499 6.967 1.00 24.29 C +ATOM 680 C VAL H 66 14.517 1.957 6.235 1.00 23.02 C +ATOM 681 O VAL H 66 14.595 2.801 5.328 1.00 24.76 O +ATOM 682 CB VAL H 66 16.669 2.607 7.642 1.00 24.40 C +ATOM 683 CG1 VAL H 66 15.866 3.722 8.227 1.00 22.27 C +ATOM 684 CG2 VAL H 66 17.570 1.890 8.693 1.00 25.13 C +ATOM 685 N ARG H 67 13.392 1.489 6.648 1.00 20.88 N +ATOM 686 CA ARG H 67 12.056 1.861 6.218 1.00 19.86 C +ATOM 687 C ARG H 67 11.359 2.548 7.377 1.00 19.78 C +ATOM 688 O ARG H 67 10.957 1.951 8.411 1.00 20.15 O +ATOM 689 CB ARG H 67 11.378 0.642 5.632 1.00 20.97 C +ATOM 690 CG ARG H 67 12.231 -0.030 4.498 1.00 18.28 C +ATOM 691 CD ARG H 67 11.430 -1.234 4.174 1.00 20.43 C +ATOM 692 NE ARG H 67 10.179 -0.900 3.491 1.00 24.08 N +ATOM 693 CZ ARG H 67 9.442 -1.770 2.793 1.00 23.49 C +ATOM 694 NH1 ARG H 67 9.818 -3.052 2.677 1.00 25.98 N +ATOM 695 NH2 ARG H 67 8.267 -1.395 2.243 1.00 21.69 N +ATOM 696 N ILE H 68 11.055 3.829 7.175 1.00 19.41 N +ATOM 697 CA ILE H 68 10.418 4.704 8.160 1.00 20.28 C +ATOM 698 C ILE H 68 9.016 5.151 7.785 1.00 19.80 C +ATOM 699 O ILE H 68 8.764 5.375 6.583 1.00 20.05 O +ATOM 700 CB ILE H 68 11.336 5.985 8.378 1.00 21.74 C +ATOM 701 CG1 ILE H 68 12.812 5.519 8.354 1.00 23.60 C +ATOM 702 CG2 ILE H 68 11.013 6.761 9.685 1.00 22.99 C +ATOM 703 CD1 ILE H 68 13.828 6.639 8.737 1.00 25.40 C +ATOM 704 N GLY H 69 8.149 5.308 8.722 1.00 18.68 N +ATOM 705 CA GLY H 69 6.797 5.790 8.492 1.00 19.76 C +ATOM 706 C GLY H 69 5.827 4.682 8.101 1.00 19.52 C +ATOM 707 O GLY H 69 4.733 4.997 7.635 1.00 18.00 O +ATOM 708 N LYS H 70 6.236 3.417 8.285 1.00 20.02 N +ATOM 709 CA LYS H 70 5.338 2.305 7.952 1.00 19.58 C +ATOM 710 C LYS H 70 4.249 1.934 8.921 1.00 20.42 C +ATOM 711 O LYS H 70 4.225 2.102 10.167 1.00 20.56 O +ATOM 712 CB LYS H 70 6.122 0.997 7.661 1.00 19.78 C +ATOM 713 CG LYS H 70 7.130 1.039 6.545 1.00 18.66 C +ATOM 714 CD LYS H 70 7.613 -0.364 6.180 1.00 19.51 C +ATOM 715 CE LYS H 70 6.434 -1.303 5.913 1.00 20.17 C +ATOM 716 NZ LYS H 70 5.789 -0.835 4.612 1.00 18.62 N +ATOM 717 N HIS H 71 3.300 1.177 8.341 1.00 20.41 N +ATOM 718 CA HIS H 71 2.136 0.681 9.103 1.00 19.68 C +ATOM 719 C HIS H 71 1.947 -0.767 8.759 1.00 21.04 C +ATOM 720 O HIS H 71 2.071 -1.728 9.537 1.00 21.70 O +ATOM 721 CB HIS H 71 0.872 1.563 8.895 1.00 19.22 C +ATOM 722 CG HIS H 71 -0.245 1.071 9.756 1.00 16.63 C +ATOM 723 ND1 HIS H 71 -0.352 1.172 11.116 1.00 17.63 N +ATOM 724 CD2 HIS H 71 -1.382 0.431 9.369 1.00 19.28 C +ATOM 725 CE1 HIS H 71 -1.476 0.658 11.554 1.00 17.24 C +ATOM 726 NE2 HIS H 71 -2.126 0.201 10.498 1.00 17.15 N +ATOM 727 N SER H 72 1.804 -1.005 7.448 1.00 22.12 N +ATOM 728 CA SER H 72 1.681 -2.358 6.898 1.00 21.73 C +ATOM 729 C SER H 72 3.082 -2.997 6.996 1.00 21.83 C +ATOM 730 O SER H 72 4.078 -2.351 6.624 1.00 22.20 O +ATOM 731 CB SER H 72 1.290 -2.241 5.397 1.00 21.48 C +ATOM 732 OG SER H 72 1.429 -3.570 4.865 1.00 24.06 O +ATOM 733 N ARG H 73 3.105 -4.268 7.381 1.00 22.78 N +ATOM 734 CA ARG H 73 4.388 -5.012 7.389 1.00 24.33 C +ATOM 735 C ARG H 73 5.034 -5.246 6.037 1.00 24.58 C +ATOM 736 O ARG H 73 6.173 -4.892 5.681 1.00 24.00 O +ATOM 737 CB ARG H 73 4.079 -6.394 8.033 1.00 25.85 C +ATOM 738 CG ARG H 73 5.335 -7.301 8.063 1.00 27.88 C +ATOM 739 CD ARG H 73 5.139 -8.463 8.967 1.00 28.55 C +ATOM 740 NE ARG H 73 4.163 -9.453 8.540 1.00 35.27 N +ATOM 741 CZ ARG H 73 4.361 -10.397 7.591 1.00 34.65 C +ATOM 742 NH1 ARG H 73 5.512 -10.657 6.984 1.00 35.07 N +ATOM 743 NH2 ARG H 73 3.270 -10.851 6.932 1.00 35.43 N +ATOM 744 N THR H 74 4.179 -5.613 5.063 1.00 25.07 N +ATOM 745 CA THR H 74 4.732 -6.081 3.750 1.00 26.83 C +ATOM 746 C THR H 74 4.559 -5.256 2.505 1.00 27.30 C +ATOM 747 O THR H 74 5.415 -5.238 1.586 1.00 28.12 O +ATOM 748 CB THR H 74 3.941 -7.458 3.824 1.00 29.60 C +ATOM 749 OG1 THR H 74 4.902 -8.494 3.935 1.00 36.18 O +ATOM 750 CG2 THR H 74 2.700 -7.422 3.013 1.00 27.17 C +ATOM 751 N ARG H 75 3.644 -4.297 2.524 1.00 27.62 N +ATOM 752 CA ARG H 75 3.349 -3.405 1.391 1.00 27.72 C +ATOM 753 C ARG H 75 4.378 -2.288 1.292 1.00 27.83 C +ATOM 754 O ARG H 75 4.938 -1.855 2.323 1.00 27.52 O +ATOM 755 N TYR H 76 4.666 -1.883 0.079 1.00 26.66 N +ATOM 756 CA TYR H 76 5.531 -0.712 -0.149 1.00 26.34 C +ATOM 757 C TYR H 76 4.520 0.426 -0.026 1.00 26.29 C +ATOM 758 O TYR H 76 3.535 0.388 -0.813 1.00 28.15 O +ATOM 759 CB TYR H 76 6.259 -0.763 -1.480 1.00 28.27 C +ATOM 760 CG TYR H 76 6.950 0.551 -1.746 1.00 29.56 C +ATOM 761 CD1 TYR H 76 7.933 1.064 -0.901 1.00 31.74 C +ATOM 762 CD2 TYR H 76 6.507 1.372 -2.796 1.00 31.82 C +ATOM 763 CE1 TYR H 76 8.502 2.324 -1.057 1.00 30.59 C +ATOM 764 CE2 TYR H 76 7.060 2.641 -2.964 1.00 30.44 C +ATOM 765 CZ TYR H 76 7.974 3.137 -2.065 1.00 32.07 C +ATOM 766 OH TYR H 76 8.535 4.340 -2.367 1.00 34.13 O +ATOM 767 N GLU H 77 4.537 1.235 1.001 1.00 24.30 N +ATOM 768 CA GLU H 77 3.552 2.267 1.302 1.00 23.49 C +ATOM 769 C GLU H 77 3.914 3.576 0.634 1.00 23.54 C +ATOM 770 O GLU H 77 4.310 4.559 1.246 1.00 23.92 O +ATOM 771 CB GLU H 77 3.401 2.406 2.826 1.00 22.81 C +ATOM 772 CG GLU H 77 2.859 1.140 3.445 1.00 22.66 C +ATOM 773 CD GLU H 77 2.802 1.023 4.944 1.00 24.66 C +ATOM 774 OE1 GLU H 77 3.891 0.770 5.532 1.00 22.83 O +ATOM 775 OE2 GLU H 77 1.686 1.033 5.433 1.00 18.55 O +ATOM 776 N ARG H 77A 3.627 3.593 -0.689 1.00 22.74 N +ATOM 777 CA ARG H 77A 3.939 4.685 -1.592 1.00 21.83 C +ATOM 778 C ARG H 77A 3.347 6.004 -1.066 1.00 20.49 C +ATOM 779 O ARG H 77A 2.202 6.137 -0.683 1.00 19.46 O +ATOM 780 N ASN H 78 4.260 6.965 -1.132 1.00 20.42 N +ATOM 781 CA ASN H 78 3.974 8.319 -0.647 1.00 22.95 C +ATOM 782 C ASN H 78 3.902 8.388 0.886 1.00 22.49 C +ATOM 783 O ASN H 78 3.506 9.469 1.355 1.00 22.99 O +ATOM 784 CB ASN H 78 2.658 8.816 -1.269 1.00 23.18 C +ATOM 785 CG ASN H 78 2.701 9.010 -2.766 1.00 24.08 C +ATOM 786 OD1 ASN H 78 3.578 8.490 -3.440 1.00 24.98 O +ATOM 787 ND2 ASN H 78 1.578 9.509 -3.268 1.00 26.44 N +ATOM 788 N ILE H 79 4.070 7.311 1.609 1.00 22.84 N +ATOM 789 CA ILE H 79 3.914 7.402 3.113 1.00 21.81 C +ATOM 790 C ILE H 79 5.283 7.162 3.783 1.00 22.15 C +ATOM 791 O ILE H 79 5.903 8.120 4.319 1.00 21.86 O +ATOM 792 CB ILE H 79 2.802 6.476 3.612 1.00 21.32 C +ATOM 793 CG1 ILE H 79 1.520 6.880 2.831 1.00 23.76 C +ATOM 794 CG2 ILE H 79 2.567 6.484 5.153 1.00 19.46 C +ATOM 795 CD1 ILE H 79 0.196 6.744 3.553 1.00 24.43 C +ATOM 796 N GLU H 80 5.786 6.004 3.410 1.00 21.60 N +ATOM 797 CA GLU H 80 7.085 5.539 3.953 1.00 21.95 C +ATOM 798 C GLU H 80 8.216 6.129 3.185 1.00 23.64 C +ATOM 799 O GLU H 80 8.138 6.517 1.994 1.00 22.73 O +ATOM 800 CB GLU H 80 7.209 4.032 3.897 1.00 23.56 C +ATOM 801 CG GLU H 80 7.619 3.292 2.632 1.00 24.29 C +ATOM 802 CD GLU H 80 7.718 1.789 2.801 1.00 24.93 C +ATOM 803 OE1 GLU H 80 6.738 1.043 2.729 1.00 21.82 O +ATOM 804 OE2 GLU H 80 8.906 1.523 3.186 1.00 22.90 O +ATOM 805 N LYS H 81 9.337 6.232 3.875 1.00 23.70 N +ATOM 806 CA LYS H 81 10.598 6.718 3.277 1.00 25.07 C +ATOM 807 C LYS H 81 11.619 5.615 3.537 1.00 26.58 C +ATOM 808 O LYS H 81 11.637 5.031 4.675 1.00 26.65 O +ATOM 809 CB LYS H 81 10.968 7.996 3.991 1.00 29.28 C +ATOM 810 CG LYS H 81 10.557 9.264 3.241 1.00 37.72 C +ATOM 811 CD LYS H 81 9.605 8.980 2.084 1.00 43.57 C +ATOM 812 CE LYS H 81 8.731 10.179 1.748 1.00 45.51 C +ATOM 813 NZ LYS H 81 7.276 9.855 1.734 1.00 47.21 N +ATOM 814 N ILE H 82 12.470 5.347 2.594 1.00 26.29 N +ATOM 815 CA ILE H 82 13.469 4.280 2.675 1.00 27.11 C +ATOM 816 C ILE H 82 14.833 4.941 2.661 1.00 28.75 C +ATOM 817 O ILE H 82 15.031 5.913 1.904 1.00 29.83 O +ATOM 818 CB ILE H 82 13.288 3.207 1.554 1.00 27.85 C +ATOM 819 CG1 ILE H 82 11.844 2.665 1.614 1.00 28.08 C +ATOM 820 CG2 ILE H 82 14.391 2.123 1.667 1.00 25.99 C +ATOM 821 CD1 ILE H 82 11.343 1.535 0.664 1.00 25.97 C +ATOM 822 N SER H 83 15.716 4.559 3.577 1.00 29.26 N +ATOM 823 CA SER H 83 17.038 5.193 3.597 1.00 30.09 C +ATOM 824 C SER H 83 18.097 4.063 3.669 1.00 30.67 C +ATOM 825 O SER H 83 17.845 2.929 4.050 1.00 30.46 O +ATOM 826 CB SER H 83 17.365 6.192 4.660 1.00 30.99 C +ATOM 827 OG SER H 83 16.308 6.959 5.165 1.00 35.97 O +ATOM 828 N MET H 84 19.233 4.510 3.236 1.00 30.81 N +ATOM 829 CA MET H 84 20.508 3.831 3.158 1.00 32.42 C +ATOM 830 C MET H 84 21.290 4.283 4.403 1.00 32.00 C +ATOM 831 O MET H 84 21.093 5.416 4.908 1.00 32.07 O +ATOM 832 CB MET H 84 21.199 4.183 1.843 1.00 35.70 C +ATOM 833 CG MET H 84 20.333 3.634 0.705 1.00 42.75 C +ATOM 834 SD MET H 84 21.334 3.552 -0.851 1.00 49.95 S +ATOM 835 CE MET H 84 22.011 5.234 -0.817 1.00 45.68 C +ATOM 836 N LEU H 85 22.134 3.368 4.850 1.00 32.15 N +ATOM 837 CA LEU H 85 22.975 3.629 6.036 1.00 31.76 C +ATOM 838 C LEU H 85 24.322 4.129 5.557 1.00 31.08 C +ATOM 839 O LEU H 85 24.834 3.583 4.576 1.00 31.46 O +ATOM 840 CB LEU H 85 23.176 2.357 6.877 1.00 32.76 C +ATOM 841 CG LEU H 85 21.853 1.767 7.372 1.00 35.15 C +ATOM 842 CD1 LEU H 85 22.121 0.389 7.938 1.00 36.40 C +ATOM 843 CD2 LEU H 85 21.293 2.773 8.382 1.00 35.15 C +ATOM 844 N GLU H 86 24.794 5.074 6.329 1.00 31.37 N +ATOM 845 CA GLU H 86 26.130 5.621 6.103 1.00 31.18 C +ATOM 846 C GLU H 86 27.147 4.883 6.992 1.00 31.71 C +ATOM 847 O GLU H 86 28.265 4.558 6.542 1.00 31.05 O +ATOM 848 CB GLU H 86 26.186 7.095 6.445 1.00 32.83 C +ATOM 849 CG GLU H 86 27.477 7.793 6.013 1.00 40.06 C +ATOM 850 CD GLU H 86 27.421 9.246 6.394 1.00 45.51 C +ATOM 851 OE1 GLU H 86 26.380 9.901 6.443 1.00 49.79 O +ATOM 852 OE2 GLU H 86 28.524 9.691 6.771 1.00 49.52 O +ATOM 853 N LYS H 87 26.683 4.578 8.212 1.00 31.42 N +ATOM 854 CA LYS H 87 27.585 3.977 9.208 1.00 30.36 C +ATOM 855 C LYS H 87 26.794 3.313 10.306 1.00 29.06 C +ATOM 856 O LYS H 87 25.779 3.809 10.763 1.00 28.73 O +ATOM 857 CB LYS H 87 28.358 5.159 9.811 1.00 33.97 C +ATOM 858 CG LYS H 87 29.841 4.913 10.102 1.00 36.58 C +ATOM 859 CD LYS H 87 29.978 3.483 10.604 1.00 41.62 C +ATOM 860 CE LYS H 87 31.416 3.083 10.882 1.00 45.14 C +ATOM 861 NZ LYS H 87 32.118 2.815 9.592 1.00 49.09 N +ATOM 862 N ILE H 88 27.275 2.179 10.758 1.00 28.27 N +ATOM 863 CA ILE H 88 26.745 1.457 11.923 1.00 26.01 C +ATOM 864 C ILE H 88 27.769 1.509 13.082 1.00 24.48 C +ATOM 865 O ILE H 88 28.894 1.120 12.856 1.00 23.97 O +ATOM 866 CB ILE H 88 26.509 -0.026 11.500 1.00 27.65 C +ATOM 867 CG1 ILE H 88 25.245 -0.098 10.614 1.00 29.13 C +ATOM 868 CG2 ILE H 88 26.399 -0.971 12.749 1.00 30.16 C +ATOM 869 CD1 ILE H 88 25.141 -1.523 9.965 1.00 31.55 C +ATOM 870 N TYR H 89 27.340 1.736 14.279 1.00 23.67 N +ATOM 871 CA TYR H 89 28.209 1.736 15.457 1.00 24.16 C +ATOM 872 C TYR H 89 27.572 0.810 16.481 1.00 23.10 C +ATOM 873 O TYR H 89 26.471 1.094 16.951 1.00 24.23 O +ATOM 874 CB TYR H 89 28.180 3.147 16.090 1.00 29.25 C +ATOM 875 CG TYR H 89 28.681 4.186 15.095 1.00 33.78 C +ATOM 876 CD1 TYR H 89 30.046 4.431 14.934 1.00 33.63 C +ATOM 877 CD2 TYR H 89 27.751 4.889 14.314 1.00 33.85 C +ATOM 878 CE1 TYR H 89 30.469 5.353 13.977 1.00 38.41 C +ATOM 879 CE2 TYR H 89 28.179 5.847 13.410 1.00 37.35 C +ATOM 880 CZ TYR H 89 29.534 6.084 13.252 1.00 37.77 C +ATOM 881 OH TYR H 89 29.990 6.899 12.247 1.00 41.56 O +ATOM 882 N ILE H 90 28.303 -0.188 16.869 1.00 22.38 N +ATOM 883 CA ILE H 90 27.953 -1.150 17.913 1.00 21.39 C +ATOM 884 C ILE H 90 28.690 -0.801 19.225 1.00 20.41 C +ATOM 885 O ILE H 90 29.900 -0.544 19.121 1.00 18.90 O +ATOM 886 CB ILE H 90 28.287 -2.603 17.422 1.00 21.09 C +ATOM 887 CG1 ILE H 90 27.416 -2.837 16.155 1.00 25.14 C +ATOM 888 CG2 ILE H 90 28.009 -3.720 18.481 1.00 21.71 C +ATOM 889 CD1 ILE H 90 27.419 -4.310 15.679 1.00 25.97 C +ATOM 890 N HIS H 91 28.035 -1.034 20.342 1.00 20.34 N +ATOM 891 CA HIS H 91 28.754 -0.706 21.619 1.00 22.61 C +ATOM 892 C HIS H 91 30.035 -1.515 21.671 1.00 23.30 C +ATOM 893 O HIS H 91 29.918 -2.726 21.437 1.00 21.37 O +ATOM 894 CB HIS H 91 27.817 -0.909 22.824 1.00 22.43 C +ATOM 895 CG HIS H 91 28.390 -0.300 24.075 1.00 26.72 C +ATOM 896 ND1 HIS H 91 29.518 -0.825 24.697 1.00 24.28 N +ATOM 897 CD2 HIS H 91 27.970 0.763 24.819 1.00 25.99 C +ATOM 898 CE1 HIS H 91 29.768 -0.056 25.767 1.00 25.48 C +ATOM 899 NE2 HIS H 91 28.839 0.866 25.893 1.00 24.65 N +ATOM 900 N PRO H 92 31.221 -0.895 21.893 1.00 25.02 N +ATOM 901 CA PRO H 92 32.501 -1.592 22.029 1.00 24.65 C +ATOM 902 C PRO H 92 32.487 -2.727 23.062 1.00 25.05 C +ATOM 903 O PRO H 92 33.173 -3.758 22.856 1.00 25.92 O +ATOM 904 CB PRO H 92 33.521 -0.558 22.430 1.00 25.45 C +ATOM 905 CG PRO H 92 32.753 0.674 22.795 1.00 26.33 C +ATOM 906 CD PRO H 92 31.358 0.521 22.236 1.00 25.81 C +ATOM 907 N ARG H 93 31.654 -2.639 24.079 1.00 23.77 N +ATOM 908 CA ARG H 93 31.518 -3.680 25.100 1.00 23.61 C +ATOM 909 C ARG H 93 30.259 -4.505 25.073 1.00 22.64 C +ATOM 910 O ARG H 93 29.915 -5.175 26.100 1.00 21.66 O +ATOM 911 CB ARG H 93 31.772 -3.083 26.497 1.00 23.05 C +ATOM 912 CG ARG H 93 33.108 -2.319 26.465 1.00 27.38 C +ATOM 913 CD ARG H 93 33.906 -2.966 27.573 1.00 35.00 C +ATOM 914 NE ARG H 93 33.542 -2.392 28.821 1.00 37.51 N +ATOM 915 CZ ARG H 93 33.516 -2.593 30.113 1.00 39.98 C +ATOM 916 NH1 ARG H 93 33.920 -3.662 30.797 1.00 41.69 N +ATOM 917 NH2 ARG H 93 32.886 -1.667 30.868 1.00 40.89 N +ATOM 918 N TYR H 94 29.555 -4.523 23.921 1.00 21.51 N +ATOM 919 CA TYR H 94 28.387 -5.449 23.786 1.00 20.27 C +ATOM 920 C TYR H 94 28.871 -6.896 24.014 1.00 20.02 C +ATOM 921 O TYR H 94 29.791 -7.341 23.332 1.00 19.77 O +ATOM 922 CB TYR H 94 27.841 -5.304 22.361 1.00 22.41 C +ATOM 923 CG TYR H 94 27.009 -6.420 21.759 1.00 19.52 C +ATOM 924 CD1 TYR H 94 25.867 -6.894 22.366 1.00 17.80 C +ATOM 925 CD2 TYR H 94 27.415 -6.893 20.480 1.00 21.39 C +ATOM 926 CE1 TYR H 94 25.170 -7.925 21.743 1.00 19.03 C +ATOM 927 CE2 TYR H 94 26.693 -7.913 19.838 1.00 20.06 C +ATOM 928 CZ TYR H 94 25.533 -8.324 20.468 1.00 18.18 C +ATOM 929 OH TYR H 94 24.817 -9.319 19.847 1.00 20.75 O +ATOM 930 N ASN H 95 28.208 -7.607 24.894 1.00 20.87 N +ATOM 931 CA ASN H 95 28.657 -8.946 25.325 1.00 22.47 C +ATOM 932 C ASN H 95 27.788 -10.020 24.684 1.00 21.64 C +ATOM 933 O ASN H 95 26.824 -10.430 25.314 1.00 23.09 O +ATOM 934 CB ASN H 95 28.771 -8.982 26.854 1.00 24.68 C +ATOM 935 CG ASN H 95 29.244 -10.368 27.357 1.00 27.84 C +ATOM 936 OD1 ASN H 95 29.491 -11.329 26.600 1.00 24.44 O +ATOM 937 ND2 ASN H 95 29.187 -10.557 28.671 1.00 27.07 N +ATOM 938 N TRP H 96 28.146 -10.380 23.456 1.00 22.84 N +ATOM 939 CA TRP H 96 27.369 -11.370 22.701 1.00 24.11 C +ATOM 940 C TRP H 96 27.781 -12.799 23.141 1.00 26.26 C +ATOM 941 O TRP H 96 26.975 -13.729 22.880 1.00 26.46 O +ATOM 942 CB TRP H 96 27.489 -11.320 21.181 1.00 19.91 C +ATOM 943 CG TRP H 96 28.888 -11.303 20.708 1.00 18.12 C +ATOM 944 CD1 TRP H 96 29.644 -10.198 20.495 1.00 17.78 C +ATOM 945 CD2 TRP H 96 29.757 -12.438 20.542 1.00 20.43 C +ATOM 946 NE1 TRP H 96 30.867 -10.549 20.036 1.00 19.69 N +ATOM 947 CE2 TRP H 96 30.977 -11.925 20.064 1.00 21.61 C +ATOM 948 CE3 TRP H 96 29.555 -13.816 20.606 1.00 19.28 C +ATOM 949 CZ2 TRP H 96 32.031 -12.764 19.665 1.00 24.37 C +ATOM 950 CZ3 TRP H 96 30.610 -14.657 20.245 1.00 20.56 C +ATOM 951 CH2 TRP H 96 31.830 -14.137 19.868 1.00 21.27 C +ATOM 952 N ARG H 97 28.953 -12.842 23.778 1.00 25.70 N +ATOM 953 CA ARG H 97 29.431 -14.158 24.210 1.00 27.01 C +ATOM 954 C ARG H 97 28.637 -14.698 25.373 1.00 26.90 C +ATOM 955 O ARG H 97 28.616 -15.924 25.514 1.00 27.64 O +ATOM 956 CB ARG H 97 30.912 -14.214 24.630 1.00 27.02 C +ATOM 957 CG ARG H 97 31.886 -13.827 23.539 1.00 28.45 C +ATOM 958 CD ARG H 97 33.331 -13.982 23.885 1.00 30.28 C +ATOM 959 NE ARG H 97 34.146 -13.826 22.659 1.00 36.99 N +ATOM 960 CZ ARG H 97 34.550 -14.954 22.030 1.00 37.50 C +ATOM 961 NH1 ARG H 97 34.346 -16.163 22.554 1.00 38.85 N +ATOM 962 NH2 ARG H 97 34.957 -14.886 20.778 1.00 40.56 N +ATOM 963 N GLU H 97A 28.004 -13.867 26.181 1.00 27.26 N +ATOM 964 CA GLU H 97A 27.350 -14.373 27.375 1.00 26.52 C +ATOM 965 C GLU H 97A 25.934 -13.945 27.631 1.00 25.81 C +ATOM 966 O GLU H 97A 25.073 -14.839 27.797 1.00 27.53 O +ATOM 967 CB GLU H 97A 28.246 -13.894 28.548 1.00 27.62 C +ATOM 968 CG GLU H 97A 27.899 -14.348 29.916 1.00 29.94 C +ATOM 969 CD GLU H 97A 28.408 -13.483 31.044 1.00 34.65 C +ATOM 970 OE1 GLU H 97A 29.303 -12.648 30.953 1.00 36.30 O +ATOM 971 OE2 GLU H 97A 27.729 -13.664 32.093 1.00 36.76 O +ATOM 972 N ASN H 98 25.661 -12.650 27.839 1.00 23.82 N +ATOM 973 CA ASN H 98 24.299 -12.269 28.213 1.00 21.29 C +ATOM 974 C ASN H 98 23.713 -11.109 27.403 1.00 19.71 C +ATOM 975 O ASN H 98 22.669 -10.626 27.889 1.00 21.63 O +ATOM 976 CB ASN H 98 24.267 -12.045 29.744 1.00 16.75 C +ATOM 977 CG ASN H 98 25.290 -10.943 30.083 1.00 16.52 C +ATOM 978 OD1 ASN H 98 25.422 -10.551 31.244 1.00 22.73 O +ATOM 979 ND2 ASN H 98 26.023 -10.438 29.127 1.00 15.69 N +ATOM 980 N LEU H 99 24.239 -10.722 26.286 1.00 20.05 N +ATOM 981 CA LEU H 99 23.820 -9.558 25.510 1.00 20.00 C +ATOM 982 C LEU H 99 23.837 -8.272 26.333 1.00 20.05 C +ATOM 983 O LEU H 99 22.964 -7.383 26.227 1.00 19.08 O +ATOM 984 CB LEU H 99 22.410 -9.904 24.942 1.00 22.46 C +ATOM 985 CG LEU H 99 22.330 -10.179 23.452 1.00 23.43 C +ATOM 986 CD1 LEU H 99 23.350 -11.169 22.960 1.00 22.19 C +ATOM 987 CD2 LEU H 99 20.890 -10.726 23.225 1.00 23.12 C +ATOM 988 N ASP H 100 24.763 -8.171 27.308 1.00 18.66 N +ATOM 989 CA ASP H 100 24.884 -6.905 28.079 1.00 18.12 C +ATOM 990 C ASP H 100 25.302 -5.804 27.090 1.00 16.17 C +ATOM 991 O ASP H 100 26.184 -6.052 26.239 1.00 16.79 O +ATOM 992 CB ASP H 100 25.980 -7.148 29.148 1.00 18.69 C +ATOM 993 CG ASP H 100 26.040 -5.985 30.126 1.00 19.54 C +ATOM 994 OD1 ASP H 100 25.052 -5.279 30.413 1.00 22.84 O +ATOM 995 OD2 ASP H 100 27.164 -5.817 30.600 1.00 21.98 O +ATOM 996 N ARG H 101 24.812 -4.590 27.324 1.00 14.88 N +ATOM 997 CA ARG H 101 25.098 -3.515 26.356 1.00 16.33 C +ATOM 998 C ARG H 101 24.596 -3.811 24.914 1.00 14.00 C +ATOM 999 O ARG H 101 25.356 -3.627 23.993 1.00 15.49 O +ATOM 1000 CB ARG H 101 26.563 -3.099 26.336 1.00 18.13 C +ATOM 1001 CG ARG H 101 27.031 -2.883 27.801 1.00 24.82 C +ATOM 1002 CD ARG H 101 28.440 -2.345 27.802 1.00 27.63 C +ATOM 1003 NE ARG H 101 28.996 -2.407 29.154 1.00 34.47 N +ATOM 1004 CZ ARG H 101 29.616 -3.516 29.622 1.00 33.71 C +ATOM 1005 NH1 ARG H 101 29.868 -4.652 28.957 1.00 33.95 N +ATOM 1006 NH2 ARG H 101 29.848 -3.437 30.921 1.00 35.74 N +ATOM 1007 N ASP H 102 23.420 -4.319 24.778 1.00 15.43 N +ATOM 1008 CA ASP H 102 22.821 -4.730 23.452 1.00 15.33 C +ATOM 1009 C ASP H 102 22.310 -3.429 22.779 1.00 14.15 C +ATOM 1010 O ASP H 102 21.117 -3.139 22.933 1.00 14.62 O +ATOM 1011 CB ASP H 102 21.675 -5.716 23.790 1.00 14.53 C +ATOM 1012 CG ASP H 102 21.138 -6.356 22.462 1.00 13.94 C +ATOM 1013 OD1 ASP H 102 21.779 -6.186 21.433 1.00 16.31 O +ATOM 1014 OD2 ASP H 102 20.082 -6.964 22.657 1.00 18.08 O +ATOM 1015 N ILE H 103 23.165 -2.669 22.196 1.00 13.94 N +ATOM 1016 CA ILE H 103 22.733 -1.391 21.622 1.00 16.82 C +ATOM 1017 C ILE H 103 23.567 -1.037 20.422 1.00 17.85 C +ATOM 1018 O ILE H 103 24.803 -1.330 20.449 1.00 20.13 O +ATOM 1019 CB ILE H 103 22.792 -0.276 22.728 1.00 15.88 C +ATOM 1020 CG1 ILE H 103 22.266 1.064 22.194 1.00 15.95 C +ATOM 1021 CG2 ILE H 103 24.300 -0.104 23.090 1.00 18.44 C +ATOM 1022 CD1 ILE H 103 21.874 2.099 23.293 1.00 17.28 C +ATOM 1023 N ALA H 104 22.984 -0.426 19.379 1.00 17.63 N +ATOM 1024 CA ALA H 104 23.749 0.013 18.214 1.00 17.83 C +ATOM 1025 C ALA H 104 23.130 1.284 17.635 1.00 19.68 C +ATOM 1026 O ALA H 104 21.886 1.407 17.818 1.00 19.84 O +ATOM 1027 CB ALA H 104 23.832 -1.106 17.159 1.00 18.81 C +ATOM 1028 N LEU H 105 23.937 2.160 17.078 1.00 20.61 N +ATOM 1029 CA LEU H 105 23.484 3.386 16.393 1.00 22.25 C +ATOM 1030 C LEU H 105 23.746 3.240 14.886 1.00 23.63 C +ATOM 1031 O LEU H 105 24.729 2.583 14.508 1.00 24.34 O +ATOM 1032 CB LEU H 105 24.149 4.653 16.911 1.00 22.30 C +ATOM 1033 CG LEU H 105 23.576 5.174 18.204 1.00 24.32 C +ATOM 1034 CD1 LEU H 105 24.643 6.087 18.817 1.00 27.08 C +ATOM 1035 CD2 LEU H 105 22.275 5.964 18.015 1.00 25.13 C +ATOM 1036 N MET H 106 22.846 3.824 14.095 1.00 23.96 N +ATOM 1037 CA MET H 106 22.922 3.780 12.630 1.00 24.06 C +ATOM 1038 C MET H 106 22.648 5.226 12.178 1.00 23.97 C +ATOM 1039 O MET H 106 21.679 5.805 12.640 1.00 23.67 O +ATOM 1040 CB MET H 106 21.941 2.810 11.974 1.00 22.57 C +ATOM 1041 CG MET H 106 22.174 1.438 12.570 1.00 24.53 C +ATOM 1042 SD MET H 106 21.012 0.304 11.771 1.00 31.87 S +ATOM 1043 CE MET H 106 19.469 0.914 12.401 1.00 28.05 C +ATOM 1044 N LYS H 107 23.547 5.710 11.397 1.00 25.42 N +ATOM 1045 CA LYS H 107 23.578 7.038 10.762 1.00 25.27 C +ATOM 1046 C LYS H 107 23.031 6.900 9.319 1.00 24.71 C +ATOM 1047 O LYS H 107 23.600 6.148 8.514 1.00 23.10 O +ATOM 1048 CB LYS H 107 24.992 7.592 10.617 1.00 24.77 C +ATOM 1049 CG LYS H 107 24.954 9.120 10.442 1.00 26.17 C +ATOM 1050 CD LYS H 107 26.291 9.653 9.974 1.00 28.67 C +ATOM 1051 CE LYS H 107 26.317 11.169 10.203 1.00 33.16 C +ATOM 1052 NZ LYS H 107 27.441 11.786 9.448 1.00 36.62 N +ATOM 1053 N LEU H 108 21.996 7.682 9.106 1.00 25.18 N +ATOM 1054 CA LEU H 108 21.334 7.672 7.776 1.00 27.65 C +ATOM 1055 C LEU H 108 22.206 8.386 6.760 1.00 28.35 C +ATOM 1056 O LEU H 108 22.818 9.377 7.139 1.00 28.95 O +ATOM 1057 CB LEU H 108 19.940 8.257 7.982 1.00 28.04 C +ATOM 1058 CG LEU H 108 18.932 7.556 8.885 1.00 26.43 C +ATOM 1059 CD1 LEU H 108 17.518 8.004 8.601 1.00 24.76 C +ATOM 1060 CD2 LEU H 108 19.054 6.046 8.662 1.00 27.63 C +ATOM 1061 N LYS H 109 22.188 7.939 5.518 1.00 30.80 N +ATOM 1062 CA LYS H 109 22.993 8.615 4.468 1.00 32.22 C +ATOM 1063 C LYS H 109 22.532 10.050 4.265 1.00 32.65 C +ATOM 1064 O LYS H 109 23.362 10.957 4.135 1.00 31.99 O +ATOM 1065 CB LYS H 109 22.996 7.821 3.186 1.00 37.23 C +ATOM 1066 CG LYS H 109 24.344 7.164 2.884 1.00 40.97 C +ATOM 1067 CD LYS H 109 24.186 6.070 1.829 1.00 46.72 C +ATOM 1068 CE LYS H 109 25.378 6.005 0.908 1.00 50.00 C +ATOM 1069 NZ LYS H 109 26.641 6.405 1.648 1.00 50.00 N +ATOM 1070 N LYS H 110 21.234 10.290 4.406 1.00 33.39 N +ATOM 1071 CA LYS H 110 20.643 11.640 4.345 1.00 33.34 C +ATOM 1072 C LYS H 110 19.540 11.727 5.410 1.00 32.67 C +ATOM 1073 O LYS H 110 18.874 10.723 5.630 1.00 32.96 O +ATOM 1074 CB LYS H 110 20.032 11.981 2.992 1.00 33.39 C +ATOM 1075 N PRO H 111 19.386 12.934 5.914 1.00 32.59 N +ATOM 1076 CA PRO H 111 18.350 13.255 6.877 1.00 32.87 C +ATOM 1077 C PRO H 111 16.983 12.949 6.272 1.00 33.45 C +ATOM 1078 O PRO H 111 16.709 13.157 5.043 1.00 34.42 O +ATOM 1079 CB PRO H 111 18.484 14.730 7.178 1.00 32.49 C +ATOM 1080 CG PRO H 111 19.605 15.247 6.358 1.00 32.73 C +ATOM 1081 CD PRO H 111 20.193 14.103 5.577 1.00 32.79 C +ATOM 1082 N VAL H 112 16.141 12.465 7.170 1.00 31.86 N +ATOM 1083 CA VAL H 112 14.762 12.133 6.688 1.00 31.23 C +ATOM 1084 C VAL H 112 13.959 13.379 7.108 1.00 30.82 C +ATOM 1085 O VAL H 112 14.244 14.067 8.113 1.00 30.56 O +ATOM 1086 CB VAL H 112 14.254 10.806 7.274 1.00 32.21 C +ATOM 1087 CG1 VAL H 112 14.135 10.913 8.803 1.00 32.49 C +ATOM 1088 CG2 VAL H 112 12.910 10.297 6.743 1.00 32.21 C +ATOM 1089 N ALA H 113 12.947 13.620 6.295 1.00 30.59 N +ATOM 1090 CA ALA H 113 11.993 14.712 6.545 1.00 29.38 C +ATOM 1091 C ALA H 113 10.858 14.123 7.382 1.00 27.80 C +ATOM 1092 O ALA H 113 10.380 13.024 7.055 1.00 28.97 O +ATOM 1093 CB ALA H 113 11.461 15.133 5.149 1.00 32.40 C +ATOM 1094 N PHE H 114 10.486 14.828 8.400 1.00 25.90 N +ATOM 1095 CA PHE H 114 9.402 14.520 9.331 1.00 24.51 C +ATOM 1096 C PHE H 114 8.066 14.804 8.635 1.00 24.75 C +ATOM 1097 O PHE H 114 8.017 15.612 7.684 1.00 24.88 O +ATOM 1098 CB PHE H 114 9.537 15.225 10.679 1.00 23.07 C +ATOM 1099 CG PHE H 114 10.857 14.981 11.344 1.00 21.96 C +ATOM 1100 CD1 PHE H 114 11.619 13.876 10.992 1.00 24.01 C +ATOM 1101 CD2 PHE H 114 11.325 15.834 12.340 1.00 23.49 C +ATOM 1102 CE1 PHE H 114 12.875 13.605 11.543 1.00 24.96 C +ATOM 1103 CE2 PHE H 114 12.585 15.581 12.930 1.00 23.80 C +ATOM 1104 CZ PHE H 114 13.361 14.480 12.502 1.00 23.09 C +ATOM 1105 N SER H 115 7.035 14.137 9.113 1.00 24.07 N +ATOM 1106 CA SER H 115 5.671 14.160 8.516 1.00 23.40 C +ATOM 1107 C SER H 115 4.738 13.726 9.648 1.00 23.06 C +ATOM 1108 O SER H 115 5.222 13.555 10.783 1.00 23.18 O +ATOM 1109 CB SER H 115 5.537 13.213 7.349 1.00 23.88 C +ATOM 1110 OG SER H 115 5.458 11.842 7.710 1.00 21.80 O +ATOM 1111 N ASP H 116 3.497 13.520 9.314 1.00 21.28 N +ATOM 1112 CA ASP H 116 2.536 13.079 10.294 1.00 20.82 C +ATOM 1113 C ASP H 116 2.902 11.633 10.655 1.00 19.71 C +ATOM 1114 O ASP H 116 2.306 11.222 11.669 1.00 21.24 O +ATOM 1115 CB ASP H 116 1.140 13.027 9.667 1.00 25.31 C +ATOM 1116 CG ASP H 116 0.393 14.340 9.510 1.00 30.97 C +ATOM 1117 OD1 ASP H 116 0.798 15.338 10.121 1.00 28.80 O +ATOM 1118 OD2 ASP H 116 -0.693 14.391 8.859 1.00 33.89 O +ATOM 1119 N TYR H 117 3.634 10.935 9.826 1.00 18.68 N +ATOM 1120 CA TYR H 117 3.893 9.534 10.125 1.00 19.42 C +ATOM 1121 C TYR H 117 5.337 9.229 10.613 1.00 19.77 C +ATOM 1122 O TYR H 117 5.576 8.038 10.874 1.00 19.07 O +ATOM 1123 CB TYR H 117 3.624 8.665 8.864 1.00 20.83 C +ATOM 1124 CG TYR H 117 2.283 9.049 8.240 1.00 21.06 C +ATOM 1125 CD1 TYR H 117 1.093 8.611 8.780 1.00 19.71 C +ATOM 1126 CD2 TYR H 117 2.280 9.857 7.085 1.00 24.07 C +ATOM 1127 CE1 TYR H 117 -0.138 9.012 8.241 1.00 22.17 C +ATOM 1128 CE2 TYR H 117 1.053 10.234 6.495 1.00 23.15 C +ATOM 1129 CZ TYR H 117 -0.125 9.797 7.087 1.00 22.96 C +ATOM 1130 OH TYR H 117 -1.369 10.220 6.654 1.00 28.07 O +ATOM 1131 N ILE H 118 6.159 10.239 10.522 1.00 20.05 N +ATOM 1132 CA ILE H 118 7.616 10.188 10.760 1.00 20.03 C +ATOM 1133 C ILE H 118 8.001 11.269 11.763 1.00 19.34 C +ATOM 1134 O ILE H 118 8.029 12.442 11.358 1.00 19.39 O +ATOM 1135 CB ILE H 118 8.423 10.296 9.418 1.00 20.16 C +ATOM 1136 CG1 ILE H 118 7.954 9.159 8.457 1.00 18.17 C +ATOM 1137 CG2 ILE H 118 9.961 10.236 9.697 1.00 19.35 C +ATOM 1138 CD1 ILE H 118 8.654 9.077 7.104 1.00 16.74 C +ATOM 1139 N HIS H 119 8.347 10.917 13.005 1.00 18.46 N +ATOM 1140 CA HIS H 119 8.668 11.907 14.039 1.00 17.63 C +ATOM 1141 C HIS H 119 9.611 11.221 15.066 1.00 18.35 C +ATOM 1142 O HIS H 119 9.321 10.052 15.382 1.00 18.75 O +ATOM 1143 CB HIS H 119 7.306 12.333 14.656 1.00 18.78 C +ATOM 1144 CG HIS H 119 7.461 13.666 15.322 1.00 22.56 C +ATOM 1145 ND1 HIS H 119 7.645 14.841 14.623 1.00 21.67 N +ATOM 1146 CD2 HIS H 119 7.672 13.987 16.631 1.00 23.51 C +ATOM 1147 CE1 HIS H 119 7.894 15.829 15.468 1.00 22.39 C +ATOM 1148 NE2 HIS H 119 7.930 15.322 16.684 1.00 21.87 N +ATOM 1149 N PRO H 120 10.647 11.881 15.609 1.00 18.18 N +ATOM 1150 CA PRO H 120 11.596 11.246 16.529 1.00 17.38 C +ATOM 1151 C PRO H 120 11.028 11.148 17.948 1.00 17.97 C +ATOM 1152 O PRO H 120 10.170 11.955 18.368 1.00 18.12 O +ATOM 1153 CB PRO H 120 12.808 12.183 16.506 1.00 17.95 C +ATOM 1154 CG PRO H 120 12.333 13.501 15.960 1.00 18.14 C +ATOM 1155 CD PRO H 120 10.964 13.285 15.346 1.00 17.72 C +ATOM 1156 N VAL H 121 11.454 10.105 18.694 1.00 17.09 N +ATOM 1157 CA VAL H 121 11.026 9.922 20.119 1.00 17.32 C +ATOM 1158 C VAL H 121 12.118 10.653 20.942 1.00 16.51 C +ATOM 1159 O VAL H 121 13.205 10.744 20.377 1.00 15.43 O +ATOM 1160 CB VAL H 121 10.966 8.408 20.476 1.00 15.51 C +ATOM 1161 CG1 VAL H 121 12.321 7.730 20.366 1.00 12.71 C +ATOM 1162 CG2 VAL H 121 10.208 8.088 21.750 1.00 16.23 C +ATOM 1163 N CYS H 122 11.876 10.999 22.179 1.00 17.06 N +ATOM 1164 CA CYS H 122 12.934 11.602 23.010 1.00 18.12 C +ATOM 1165 C CYS H 122 13.793 10.523 23.710 1.00 17.69 C +ATOM 1166 O CYS H 122 13.278 9.475 24.085 1.00 18.59 O +ATOM 1167 CB CYS H 122 12.267 12.401 24.154 1.00 17.89 C +ATOM 1168 SG CYS H 122 11.085 13.678 23.572 1.00 18.27 S +ATOM 1169 N LEU H 123 15.006 10.896 24.078 1.00 19.79 N +ATOM 1170 CA LEU H 123 15.925 10.014 24.897 1.00 19.66 C +ATOM 1171 C LEU H 123 15.781 10.520 26.329 1.00 20.84 C +ATOM 1172 O LEU H 123 15.589 11.724 26.587 1.00 20.41 O +ATOM 1173 CB LEU H 123 17.326 10.099 24.362 1.00 21.57 C +ATOM 1174 CG LEU H 123 17.748 9.497 23.047 1.00 25.20 C +ATOM 1175 CD1 LEU H 123 19.252 9.537 22.962 1.00 25.79 C +ATOM 1176 CD2 LEU H 123 17.241 8.059 22.943 1.00 28.21 C +ATOM 1177 N PRO H 124 15.648 9.602 27.300 1.00 21.50 N +ATOM 1178 CA PRO H 124 15.382 10.049 28.663 1.00 22.67 C +ATOM 1179 C PRO H 124 16.577 10.827 29.265 1.00 23.90 C +ATOM 1180 O PRO H 124 17.752 10.539 28.970 1.00 23.74 O +ATOM 1181 CB PRO H 124 15.221 8.700 29.397 1.00 21.96 C +ATOM 1182 CG PRO H 124 15.775 7.640 28.530 1.00 21.68 C +ATOM 1183 CD PRO H 124 15.970 8.181 27.140 1.00 21.05 C +ATOM 1184 N ASP H 125 16.245 11.708 30.181 1.00 25.37 N +ATOM 1185 CA ASP H 125 17.169 12.432 31.081 1.00 27.26 C +ATOM 1186 C ASP H 125 17.210 11.577 32.370 1.00 27.80 C +ATOM 1187 O ASP H 125 16.333 10.743 32.698 1.00 26.25 O +ATOM 1188 CB ASP H 125 16.609 13.849 31.392 1.00 27.82 C +ATOM 1189 N ARG H 126 18.258 11.866 33.160 1.00 29.59 N +ATOM 1190 CA ARG H 126 18.423 11.172 34.454 1.00 29.43 C +ATOM 1191 C ARG H 126 17.172 11.251 35.274 1.00 28.83 C +ATOM 1192 O ARG H 126 16.785 10.286 35.943 1.00 30.28 O +ATOM 1193 CB ARG H 126 19.609 11.744 35.270 1.00 34.98 C +ATOM 1194 CG ARG H 126 19.871 10.964 36.555 1.00 42.07 C +ATOM 1195 CD ARG H 126 21.004 11.460 37.401 1.00 47.24 C +ATOM 1196 NE ARG H 126 20.887 12.863 37.852 1.00 50.00 N +ATOM 1197 CZ ARG H 126 21.244 13.864 37.006 1.00 50.00 C +ATOM 1198 NH1 ARG H 126 21.749 13.571 35.795 1.00 50.00 N +ATOM 1199 NH2 ARG H 126 20.956 15.151 37.261 1.00 50.00 N +ATOM 1200 N GLU H 127 16.496 12.374 35.343 1.00 28.78 N +ATOM 1201 CA GLU H 127 15.324 12.505 36.231 1.00 29.13 C +ATOM 1202 C GLU H 127 14.065 11.870 35.651 1.00 29.43 C +ATOM 1203 O GLU H 127 13.138 11.342 36.352 1.00 28.03 O +ATOM 1204 CB GLU H 127 15.203 13.962 36.639 1.00 35.85 C +ATOM 1205 CG GLU H 127 15.924 15.065 35.877 1.00 39.65 C +ATOM 1206 CD GLU H 127 17.415 15.122 35.746 1.00 41.98 C +ATOM 1207 OE1 GLU H 127 18.189 15.075 36.702 1.00 42.77 O +ATOM 1208 OE2 GLU H 127 17.804 15.186 34.543 1.00 40.86 O +ATOM 1209 N THR H 128 14.080 11.827 34.296 1.00 28.20 N +ATOM 1210 CA THR H 128 12.932 11.165 33.634 1.00 29.29 C +ATOM 1211 C THR H 128 13.019 9.651 33.939 1.00 27.54 C +ATOM 1212 O THR H 128 12.035 9.022 34.354 1.00 28.95 O +ATOM 1213 CB THR H 128 12.870 11.426 32.075 1.00 31.77 C +ATOM 1214 OG1 THR H 128 12.476 12.846 31.915 1.00 32.48 O +ATOM 1215 CG2 THR H 128 11.850 10.465 31.433 1.00 30.01 C +ATOM 1216 N ALA H 129 14.210 9.127 33.799 1.00 26.93 N +ATOM 1217 CA ALA H 129 14.515 7.717 34.081 1.00 27.08 C +ATOM 1218 C ALA H 129 14.169 7.421 35.532 1.00 28.22 C +ATOM 1219 O ALA H 129 13.325 6.581 35.913 1.00 28.27 O +ATOM 1220 CB ALA H 129 15.942 7.447 33.602 1.00 23.72 C +ATOM 1221 N ALA H 129A 14.660 8.300 36.414 1.00 28.32 N +ATOM 1222 CA ALA H 129A 14.449 8.118 37.861 1.00 28.08 C +ATOM 1223 C ALA H 129A 12.982 7.949 38.147 1.00 27.96 C +ATOM 1224 O ALA H 129A 12.449 7.079 38.829 1.00 28.66 O +ATOM 1225 CB ALA H 129A 15.082 9.286 38.626 1.00 27.35 C +ATOM 1226 N SER H 129B 12.255 8.937 37.657 1.00 27.51 N +ATOM 1227 CA SER H 129B 10.823 9.015 37.816 1.00 27.74 C +ATOM 1228 C SER H 129B 9.975 7.892 37.207 1.00 27.30 C +ATOM 1229 O SER H 129B 9.043 7.430 37.883 1.00 26.74 O +ATOM 1230 CB SER H 129B 10.494 10.332 37.047 1.00 32.01 C +ATOM 1231 OG SER H 129B 9.464 10.911 37.831 1.00 38.41 O +ATOM 1232 N LEU H 129C 10.312 7.452 36.001 1.00 25.36 N +ATOM 1233 CA LEU H 129C 9.396 6.516 35.308 1.00 25.04 C +ATOM 1234 C LEU H 129C 9.778 5.066 35.411 1.00 23.70 C +ATOM 1235 O LEU H 129C 8.923 4.193 35.288 1.00 23.76 O +ATOM 1236 CB LEU H 129C 9.343 7.032 33.837 1.00 24.65 C +ATOM 1237 CG LEU H 129C 8.504 8.297 33.614 1.00 28.40 C +ATOM 1238 CD1 LEU H 129C 7.980 8.271 32.170 1.00 29.95 C +ATOM 1239 CD2 LEU H 129C 7.296 8.294 34.515 1.00 27.13 C +ATOM 1240 N LEU H 130 11.056 4.786 35.520 1.00 24.52 N +ATOM 1241 CA LEU H 130 11.550 3.406 35.563 1.00 26.51 C +ATOM 1242 C LEU H 130 11.400 2.767 36.947 1.00 28.33 C +ATOM 1243 O LEU H 130 12.418 2.531 37.620 1.00 29.12 O +ATOM 1244 CB LEU H 130 12.982 3.454 35.059 1.00 28.13 C +ATOM 1245 CG LEU H 130 13.331 2.768 33.785 1.00 33.37 C +ATOM 1246 CD1 LEU H 130 14.811 2.348 33.793 1.00 33.92 C +ATOM 1247 CD2 LEU H 130 12.480 1.510 33.593 1.00 31.91 C +ATOM 1248 N GLN H 131 10.207 2.393 37.319 1.00 28.07 N +ATOM 1249 CA GLN H 131 9.697 1.847 38.561 1.00 27.51 C +ATOM 1250 C GLN H 131 8.771 0.652 38.309 1.00 27.25 C +ATOM 1251 O GLN H 131 7.908 0.678 37.407 1.00 25.88 O +ATOM 1252 CB GLN H 131 8.846 2.920 39.251 1.00 27.91 C +ATOM 1253 CG GLN H 131 9.660 4.148 39.612 1.00 36.24 C +ATOM 1254 CD GLN H 131 8.987 4.795 40.806 1.00 42.97 C +ATOM 1255 OE1 GLN H 131 8.387 4.156 41.696 1.00 46.73 O +ATOM 1256 NE2 GLN H 131 9.003 6.131 40.769 1.00 47.12 N +ATOM 1257 N ALA H 132 8.919 -0.376 39.153 1.00 25.92 N +ATOM 1258 CA ALA H 132 8.168 -1.620 39.056 1.00 25.33 C +ATOM 1259 C ALA H 132 6.686 -1.306 39.043 1.00 25.05 C +ATOM 1260 O ALA H 132 6.348 -0.472 39.915 1.00 26.45 O +ATOM 1261 CB ALA H 132 8.500 -2.532 40.243 1.00 24.10 C +ATOM 1262 N GLY H 133 5.910 -1.919 38.168 1.00 23.79 N +ATOM 1263 CA GLY H 133 4.471 -1.704 38.135 1.00 23.70 C +ATOM 1264 C GLY H 133 4.053 -0.653 37.109 1.00 23.60 C +ATOM 1265 O GLY H 133 2.929 -0.661 36.586 1.00 25.02 O +ATOM 1266 N TYR H 134 4.918 0.304 36.838 1.00 23.21 N +ATOM 1267 CA TYR H 134 4.631 1.324 35.823 1.00 21.71 C +ATOM 1268 C TYR H 134 4.668 0.610 34.458 1.00 21.72 C +ATOM 1269 O TYR H 134 5.619 -0.136 34.167 1.00 20.24 O +ATOM 1270 CB TYR H 134 5.647 2.467 35.816 1.00 22.38 C +ATOM 1271 CG TYR H 134 5.551 3.413 37.009 1.00 21.60 C +ATOM 1272 CD1 TYR H 134 4.884 3.065 38.171 1.00 22.91 C +ATOM 1273 CD2 TYR H 134 6.158 4.666 36.908 1.00 24.53 C +ATOM 1274 CE1 TYR H 134 4.792 3.969 39.238 1.00 24.97 C +ATOM 1275 CE2 TYR H 134 6.069 5.608 37.918 1.00 24.28 C +ATOM 1276 CZ TYR H 134 5.403 5.216 39.069 1.00 27.21 C +ATOM 1277 OH TYR H 134 5.320 6.162 40.071 1.00 30.87 O +ATOM 1278 N LYS H 135 3.780 1.117 33.590 1.00 21.79 N +ATOM 1279 CA LYS H 135 3.661 0.501 32.236 1.00 21.27 C +ATOM 1280 C LYS H 135 4.321 1.318 31.131 1.00 20.70 C +ATOM 1281 O LYS H 135 4.256 2.551 31.132 1.00 20.44 O +ATOM 1282 CB LYS H 135 2.192 0.195 31.842 1.00 20.87 C +ATOM 1283 CG LYS H 135 1.598 -0.931 32.706 1.00 21.30 C +ATOM 1284 CD LYS H 135 0.112 -1.085 32.456 1.00 25.12 C +ATOM 1285 CE LYS H 135 -0.458 -2.162 33.373 1.00 27.61 C +ATOM 1286 NZ LYS H 135 -1.940 -2.214 33.138 1.00 29.85 N +ATOM 1287 N GLY H 136 4.944 0.556 30.234 1.00 18.14 N +ATOM 1288 CA GLY H 136 5.567 1.068 29.023 1.00 17.28 C +ATOM 1289 C GLY H 136 4.880 0.384 27.805 1.00 17.51 C +ATOM 1290 O GLY H 136 4.110 -0.580 27.975 1.00 18.99 O +ATOM 1291 N ARG H 137 5.367 0.706 26.624 1.00 16.86 N +ATOM 1292 CA ARG H 137 4.694 0.159 25.400 1.00 15.85 C +ATOM 1293 C ARG H 137 5.758 -0.325 24.470 1.00 15.07 C +ATOM 1294 O ARG H 137 6.791 0.313 24.258 1.00 14.99 O +ATOM 1295 CB ARG H 137 3.778 1.255 24.805 1.00 16.42 C +ATOM 1296 CG ARG H 137 3.284 0.969 23.365 1.00 12.14 C +ATOM 1297 CD ARG H 137 2.511 2.162 22.871 1.00 14.34 C +ATOM 1298 NE ARG H 137 1.270 2.414 23.516 1.00 17.22 N +ATOM 1299 CZ ARG H 137 0.422 3.437 23.266 1.00 18.42 C +ATOM 1300 NH1 ARG H 137 0.649 4.476 22.477 1.00 16.25 N +ATOM 1301 NH2 ARG H 137 -0.758 3.440 23.845 1.00 15.23 N +ATOM 1302 N VAL H 138 5.459 -1.464 23.806 1.00 15.11 N +ATOM 1303 CA VAL H 138 6.363 -2.063 22.853 1.00 15.65 C +ATOM 1304 C VAL H 138 5.602 -2.181 21.518 1.00 15.24 C +ATOM 1305 O VAL H 138 4.441 -2.593 21.649 1.00 16.91 O +ATOM 1306 CB VAL H 138 6.882 -3.440 23.354 1.00 19.15 C +ATOM 1307 CG1 VAL H 138 8.034 -3.932 22.499 1.00 15.72 C +ATOM 1308 CG2 VAL H 138 7.273 -3.247 24.827 1.00 19.13 C +ATOM 1309 N THR H 139 6.380 -1.979 20.512 1.00 15.75 N +ATOM 1310 CA THR H 139 5.766 -2.039 19.162 1.00 16.81 C +ATOM 1311 C THR H 139 6.597 -2.878 18.222 1.00 16.16 C +ATOM 1312 O THR H 139 7.848 -2.757 18.300 1.00 15.55 O +ATOM 1313 CB THR H 139 5.424 -0.617 18.540 1.00 14.81 C +ATOM 1314 OG1 THR H 139 6.633 0.196 18.671 1.00 18.43 O +ATOM 1315 CG2 THR H 139 4.231 0.020 19.201 1.00 14.31 C +ATOM 1316 N GLY H 140 5.940 -3.513 17.226 1.00 15.42 N +ATOM 1317 CA GLY H 140 6.707 -4.213 16.218 1.00 14.25 C +ATOM 1318 C GLY H 140 5.873 -5.114 15.303 1.00 15.79 C +ATOM 1319 O GLY H 140 4.682 -5.317 15.503 1.00 16.47 O +ATOM 1320 N TRP H 141 6.520 -5.525 14.241 1.00 17.92 N +ATOM 1321 CA TRP H 141 5.911 -6.416 13.214 1.00 19.75 C +ATOM 1322 C TRP H 141 6.274 -7.883 13.448 1.00 21.50 C +ATOM 1323 O TRP H 141 6.218 -8.595 12.435 1.00 21.30 O +ATOM 1324 CB TRP H 141 6.436 -5.912 11.861 1.00 19.14 C +ATOM 1325 CG TRP H 141 5.881 -4.589 11.393 1.00 20.39 C +ATOM 1326 CD1 TRP H 141 4.595 -4.345 10.940 1.00 19.34 C +ATOM 1327 CD2 TRP H 141 6.545 -3.327 11.486 1.00 18.20 C +ATOM 1328 NE1 TRP H 141 4.470 -2.976 10.746 1.00 18.92 N +ATOM 1329 CE2 TRP H 141 5.653 -2.355 11.002 1.00 20.13 C +ATOM 1330 CE3 TRP H 141 7.840 -2.933 11.902 1.00 21.56 C +ATOM 1331 CZ2 TRP H 141 6.058 -1.019 10.880 1.00 20.63 C +ATOM 1332 CZ3 TRP H 141 8.269 -1.615 11.744 1.00 19.90 C +ATOM 1333 CH2 TRP H 141 7.354 -0.676 11.198 1.00 22.27 C +ATOM 1334 N GLY H 142 6.902 -8.258 14.562 1.00 22.22 N +ATOM 1335 CA GLY H 142 7.356 -9.604 14.861 1.00 22.71 C +ATOM 1336 C GLY H 142 6.232 -10.620 15.020 1.00 24.80 C +ATOM 1337 O GLY H 142 5.028 -10.300 14.925 1.00 24.93 O +ATOM 1338 N ASN H 143 6.653 -11.876 15.255 1.00 25.27 N +ATOM 1339 CA ASN H 143 5.749 -12.995 15.373 1.00 25.73 C +ATOM 1340 C ASN H 143 4.703 -12.730 16.430 1.00 25.82 C +ATOM 1341 O ASN H 143 5.001 -12.170 17.503 1.00 25.05 O +ATOM 1342 CB ASN H 143 6.448 -14.323 15.645 1.00 30.61 C +ATOM 1343 CG ASN H 143 7.259 -14.724 14.415 1.00 34.00 C +ATOM 1344 OD1 ASN H 143 7.388 -13.992 13.436 1.00 33.70 O +ATOM 1345 ND2 ASN H 143 7.773 -15.939 14.618 1.00 39.24 N +ATOM 1346 N LEU H 144 3.524 -13.281 16.078 1.00 25.38 N +ATOM 1347 CA LEU H 144 2.379 -13.172 16.982 1.00 25.51 C +ATOM 1348 C LEU H 144 2.347 -14.245 18.054 1.00 26.64 C +ATOM 1349 O LEU H 144 1.478 -14.297 18.943 1.00 28.05 O +ATOM 1350 CB LEU H 144 1.144 -13.196 16.062 1.00 28.20 C +ATOM 1351 CG LEU H 144 1.035 -12.032 15.072 1.00 30.12 C +ATOM 1352 CD1 LEU H 144 -0.084 -12.343 14.065 1.00 31.27 C +ATOM 1353 CD2 LEU H 144 0.645 -10.774 15.877 1.00 29.18 C +ATOM 1354 N LYS H 145 3.174 -15.232 17.870 1.00 27.53 N +ATOM 1355 CA LYS H 145 3.168 -16.390 18.797 1.00 29.71 C +ATOM 1356 C LYS H 145 4.573 -16.977 18.686 1.00 29.78 C +ATOM 1357 O LYS H 145 5.284 -16.725 17.690 1.00 29.79 O +ATOM 1358 CB LYS H 145 2.067 -17.374 18.387 1.00 32.15 C +ATOM 1359 N GLU H 146 4.920 -17.725 19.723 1.00 30.75 N +ATOM 1360 CA GLU H 146 6.273 -18.306 19.796 1.00 31.79 C +ATOM 1361 C GLU H 146 6.423 -19.417 18.737 1.00 32.51 C +ATOM 1362 O GLU H 146 7.441 -19.310 17.987 1.00 33.69 O +ATOM 1363 CB GLU H 146 6.583 -18.903 21.167 1.00 29.38 C +ATOM 1364 CG GLU H 146 8.054 -19.211 21.327 1.00 32.52 C +ATOM 1365 CD GLU H 146 8.552 -19.978 22.516 1.00 31.28 C +ATOM 1366 OE1 GLU H 146 7.978 -19.812 23.604 1.00 29.02 O +ATOM 1367 OE2 GLU H 146 9.544 -20.687 22.283 1.00 37.96 O +ATOM 1368 N GLY H 150 1.283 -16.237 12.059 1.00 43.55 N +ATOM 1369 CA GLY H 150 1.694 -15.474 13.241 1.00 42.54 C +ATOM 1370 C GLY H 150 2.697 -14.437 12.735 1.00 41.97 C +ATOM 1371 O GLY H 150 3.827 -14.432 13.219 1.00 42.77 O +ATOM 1372 N GLN H 151 2.266 -13.724 11.728 1.00 41.06 N +ATOM 1373 CA GLN H 151 2.937 -12.543 11.129 1.00 39.75 C +ATOM 1374 C GLN H 151 1.778 -11.571 10.886 1.00 38.19 C +ATOM 1375 O GLN H 151 0.725 -12.016 10.367 1.00 39.48 O +ATOM 1376 CB GLN H 151 3.756 -12.951 9.939 1.00 42.78 C +ATOM 1377 CG GLN H 151 4.220 -14.390 10.253 1.00 49.54 C +ATOM 1378 CD GLN H 151 5.365 -14.714 9.316 1.00 50.00 C +ATOM 1379 OE1 GLN H 151 5.111 -15.255 8.229 1.00 50.00 O +ATOM 1380 NE2 GLN H 151 6.568 -14.264 9.698 1.00 50.00 N +ATOM 1381 N PRO H 152 1.839 -10.447 11.611 1.00 34.62 N +ATOM 1382 CA PRO H 152 0.723 -9.486 11.594 1.00 31.81 C +ATOM 1383 C PRO H 152 0.680 -8.832 10.208 1.00 29.14 C +ATOM 1384 O PRO H 152 1.705 -8.785 9.500 1.00 28.71 O +ATOM 1385 CB PRO H 152 1.132 -8.406 12.619 1.00 31.24 C +ATOM 1386 CG PRO H 152 2.617 -8.545 12.777 1.00 31.82 C +ATOM 1387 CD PRO H 152 3.055 -9.913 12.243 1.00 32.89 C +ATOM 1388 N SER H 153 -0.435 -8.167 9.924 1.00 27.49 N +ATOM 1389 CA SER H 153 -0.393 -7.483 8.596 1.00 26.61 C +ATOM 1390 C SER H 153 0.002 -6.029 8.822 1.00 24.81 C +ATOM 1391 O SER H 153 0.714 -5.514 7.934 1.00 25.91 O +ATOM 1392 CB SER H 153 -1.699 -7.645 7.837 1.00 29.20 C +ATOM 1393 OG SER H 153 -2.738 -7.141 8.643 1.00 34.43 O +ATOM 1394 N VAL H 154 -0.289 -5.595 10.042 1.00 24.08 N +ATOM 1395 CA VAL H 154 0.005 -4.178 10.413 1.00 23.13 C +ATOM 1396 C VAL H 154 0.799 -4.138 11.747 1.00 21.39 C +ATOM 1397 O VAL H 154 0.760 -5.103 12.518 1.00 20.00 O +ATOM 1398 CB VAL H 154 -1.411 -3.596 10.426 1.00 25.57 C +ATOM 1399 CG1 VAL H 154 -2.074 -3.153 11.693 1.00 28.34 C +ATOM 1400 CG2 VAL H 154 -1.757 -2.758 9.192 1.00 25.96 C +ATOM 1401 N LEU H 155 1.409 -2.975 11.984 1.00 20.77 N +ATOM 1402 CA LEU H 155 2.134 -2.784 13.257 1.00 19.70 C +ATOM 1403 C LEU H 155 1.275 -3.173 14.440 1.00 18.83 C +ATOM 1404 O LEU H 155 0.099 -2.783 14.636 1.00 21.33 O +ATOM 1405 CB LEU H 155 2.747 -1.371 13.284 1.00 19.68 C +ATOM 1406 CG LEU H 155 3.650 -1.112 14.532 1.00 21.41 C +ATOM 1407 CD1 LEU H 155 5.047 -1.679 14.307 1.00 19.93 C +ATOM 1408 CD2 LEU H 155 3.653 0.427 14.731 1.00 20.00 C +ATOM 1409 N GLN H 156 1.883 -3.922 15.398 1.00 18.13 N +ATOM 1410 CA GLN H 156 1.280 -4.356 16.652 1.00 17.15 C +ATOM 1411 C GLN H 156 1.797 -3.522 17.877 1.00 18.80 C +ATOM 1412 O GLN H 156 2.993 -3.097 17.866 1.00 18.59 O +ATOM 1413 CB GLN H 156 1.442 -5.835 17.023 1.00 18.70 C +ATOM 1414 CG GLN H 156 0.896 -6.836 16.019 1.00 21.26 C +ATOM 1415 CD GLN H 156 -0.581 -6.667 15.736 1.00 21.74 C +ATOM 1416 OE1 GLN H 156 -1.047 -5.985 14.781 1.00 24.00 O +ATOM 1417 NE2 GLN H 156 -1.316 -7.221 16.703 1.00 17.61 N +ATOM 1418 N VAL H 157 0.937 -3.466 18.840 1.00 19.37 N +ATOM 1419 CA VAL H 157 1.299 -2.739 20.095 1.00 20.16 C +ATOM 1420 C VAL H 157 0.835 -3.574 21.265 1.00 19.07 C +ATOM 1421 O VAL H 157 -0.279 -4.116 21.274 1.00 21.61 O +ATOM 1422 CB VAL H 157 0.731 -1.300 20.088 1.00 22.64 C +ATOM 1423 CG1 VAL H 157 -0.778 -1.279 19.972 1.00 23.05 C +ATOM 1424 CG2 VAL H 157 1.044 -0.513 21.391 1.00 20.85 C +ATOM 1425 N VAL H 158 1.536 -3.497 22.384 1.00 17.83 N +ATOM 1426 CA VAL H 158 1.117 -4.028 23.696 1.00 18.00 C +ATOM 1427 C VAL H 158 1.772 -3.125 24.797 1.00 17.71 C +ATOM 1428 O VAL H 158 2.918 -2.633 24.617 1.00 18.46 O +ATOM 1429 CB VAL H 158 1.608 -5.493 23.857 1.00 17.36 C +ATOM 1430 CG1 VAL H 158 3.117 -5.573 24.045 1.00 18.20 C +ATOM 1431 CG2 VAL H 158 0.872 -6.177 24.989 1.00 19.45 C +ATOM 1432 N ASN H 159 1.128 -2.996 25.902 1.00 19.23 N +ATOM 1433 CA ASN H 159 1.557 -2.213 27.074 1.00 20.61 C +ATOM 1434 C ASN H 159 1.961 -3.220 28.183 1.00 20.95 C +ATOM 1435 O ASN H 159 1.157 -4.127 28.403 1.00 21.26 O +ATOM 1436 CB ASN H 159 0.388 -1.350 27.500 1.00 21.45 C +ATOM 1437 CG ASN H 159 0.023 -0.334 26.408 1.00 22.88 C +ATOM 1438 OD1 ASN H 159 0.885 0.040 25.615 1.00 21.00 O +ATOM 1439 ND2 ASN H 159 -1.198 0.172 26.580 1.00 26.28 N +ATOM 1440 N LEU H 160 3.120 -3.090 28.766 1.00 20.90 N +ATOM 1441 CA LEU H 160 3.560 -4.074 29.798 1.00 20.95 C +ATOM 1442 C LEU H 160 4.094 -3.262 31.005 1.00 20.95 C +ATOM 1443 O LEU H 160 4.861 -2.297 30.776 1.00 19.86 O +ATOM 1444 CB LEU H 160 4.658 -4.876 29.094 1.00 21.72 C +ATOM 1445 CG LEU H 160 4.295 -5.733 27.884 1.00 22.38 C +ATOM 1446 CD1 LEU H 160 5.516 -6.256 27.158 1.00 22.42 C +ATOM 1447 CD2 LEU H 160 3.359 -6.858 28.327 1.00 21.07 C +ATOM 1448 N PRO H 161 3.952 -3.847 32.169 1.00 20.45 N +ATOM 1449 CA PRO H 161 4.459 -3.268 33.392 1.00 20.51 C +ATOM 1450 C PRO H 161 5.925 -3.669 33.611 1.00 20.42 C +ATOM 1451 O PRO H 161 6.324 -4.821 33.327 1.00 20.06 O +ATOM 1452 CB PRO H 161 3.670 -3.995 34.497 1.00 21.27 C +ATOM 1453 CG PRO H 161 3.107 -5.248 33.884 1.00 21.36 C +ATOM 1454 CD PRO H 161 3.181 -5.093 32.392 1.00 21.50 C +ATOM 1455 N ILE H 162 6.713 -2.753 34.087 1.00 19.44 N +ATOM 1456 CA ILE H 162 8.096 -3.070 34.472 1.00 19.71 C +ATOM 1457 C ILE H 162 7.981 -3.970 35.750 1.00 20.25 C +ATOM 1458 O ILE H 162 7.135 -3.760 36.640 1.00 21.27 O +ATOM 1459 CB ILE H 162 8.790 -1.701 34.787 1.00 19.94 C +ATOM 1460 CG1 ILE H 162 8.851 -0.879 33.457 1.00 19.45 C +ATOM 1461 CG2 ILE H 162 10.220 -1.907 35.367 1.00 18.10 C +ATOM 1462 CD1 ILE H 162 9.520 0.497 33.652 1.00 22.11 C +ATOM 1463 N VAL H 163 8.904 -4.895 35.823 1.00 20.32 N +ATOM 1464 CA VAL H 163 9.011 -5.930 36.849 1.00 21.09 C +ATOM 1465 C VAL H 163 10.237 -5.652 37.749 1.00 20.50 C +ATOM 1466 O VAL H 163 11.306 -5.208 37.337 1.00 19.75 O +ATOM 1467 CB VAL H 163 9.063 -7.346 36.190 1.00 20.32 C +ATOM 1468 CG1 VAL H 163 9.211 -8.501 37.179 1.00 19.06 C +ATOM 1469 CG2 VAL H 163 7.822 -7.609 35.354 1.00 21.76 C +ATOM 1470 N GLU H 164 10.009 -5.950 39.029 1.00 22.03 N +ATOM 1471 CA GLU H 164 11.062 -5.825 40.071 1.00 23.13 C +ATOM 1472 C GLU H 164 12.335 -6.573 39.708 1.00 22.31 C +ATOM 1473 O GLU H 164 12.208 -7.749 39.319 1.00 22.69 O +ATOM 1474 CB GLU H 164 10.551 -6.484 41.377 1.00 27.11 C +ATOM 1475 CG GLU H 164 9.245 -5.971 41.935 1.00 32.68 C +ATOM 1476 CD GLU H 164 7.964 -6.448 41.331 1.00 36.44 C +ATOM 1477 OE1 GLU H 164 7.853 -6.866 40.167 1.00 34.50 O +ATOM 1478 OE2 GLU H 164 6.954 -6.374 42.044 1.00 44.35 O +ATOM 1479 N ARG H 165 13.512 -6.006 39.945 1.00 21.65 N +ATOM 1480 CA ARG H 165 14.770 -6.654 39.600 1.00 22.15 C +ATOM 1481 C ARG H 165 14.864 -8.111 40.102 1.00 22.35 C +ATOM 1482 O ARG H 165 15.361 -8.947 39.338 1.00 21.32 O +ATOM 1483 CB ARG H 165 16.042 -5.941 39.940 1.00 26.29 C +ATOM 1484 CG ARG H 165 16.445 -4.661 39.246 1.00 36.34 C +ATOM 1485 CD ARG H 165 17.933 -4.519 39.115 1.00 38.12 C +ATOM 1486 NE ARG H 165 18.335 -4.011 37.827 1.00 43.23 N +ATOM 1487 CZ ARG H 165 18.744 -4.518 36.674 1.00 41.83 C +ATOM 1488 NH1 ARG H 165 19.004 -5.775 36.340 1.00 42.08 N +ATOM 1489 NH2 ARG H 165 19.075 -3.623 35.732 1.00 47.34 N +ATOM 1490 N PRO H 166 14.584 -8.340 41.384 1.00 23.66 N +ATOM 1491 CA PRO H 166 14.666 -9.675 41.993 1.00 23.09 C +ATOM 1492 C PRO H 166 13.771 -10.651 41.235 1.00 22.82 C +ATOM 1493 O PRO H 166 14.276 -11.764 41.036 1.00 22.83 O +ATOM 1494 CB PRO H 166 14.219 -9.558 43.462 1.00 23.25 C +ATOM 1495 CG PRO H 166 14.061 -8.099 43.709 1.00 23.84 C +ATOM 1496 CD PRO H 166 14.145 -7.362 42.390 1.00 23.34 C +ATOM 1497 N VAL H 167 12.565 -10.266 40.845 1.00 21.32 N +ATOM 1498 CA VAL H 167 11.679 -11.142 40.074 1.00 20.88 C +ATOM 1499 C VAL H 167 12.291 -11.411 38.718 1.00 21.47 C +ATOM 1500 O VAL H 167 12.220 -12.557 38.210 1.00 21.77 O +ATOM 1501 CB VAL H 167 10.253 -10.563 39.985 1.00 21.34 C +ATOM 1502 CG1 VAL H 167 9.369 -11.386 39.074 1.00 20.21 C +ATOM 1503 CG2 VAL H 167 9.636 -10.289 41.356 1.00 24.54 C +ATOM 1504 N CYS H 168 12.919 -10.356 38.126 1.00 21.84 N +ATOM 1505 CA CYS H 168 13.625 -10.600 36.871 1.00 21.63 C +ATOM 1506 C CYS H 168 14.702 -11.673 37.073 1.00 22.68 C +ATOM 1507 O CYS H 168 14.859 -12.593 36.226 1.00 21.38 O +ATOM 1508 CB CYS H 168 14.293 -9.348 36.242 1.00 22.86 C +ATOM 1509 SG CYS H 168 13.019 -8.060 35.919 1.00 21.27 S +ATOM 1510 N LYS H 169 15.562 -11.382 38.066 1.00 23.02 N +ATOM 1511 CA LYS H 169 16.705 -12.299 38.299 1.00 23.61 C +ATOM 1512 C LYS H 169 16.298 -13.743 38.593 1.00 21.80 C +ATOM 1513 O LYS H 169 16.944 -14.663 38.080 1.00 21.77 O +ATOM 1514 CB LYS H 169 17.494 -11.807 39.523 1.00 29.26 C +ATOM 1515 CG LYS H 169 18.443 -10.681 39.090 1.00 39.70 C +ATOM 1516 CD LYS H 169 19.651 -10.572 40.019 1.00 44.15 C +ATOM 1517 CE LYS H 169 20.503 -11.846 39.926 1.00 48.60 C +ATOM 1518 NZ LYS H 169 20.714 -12.490 41.269 1.00 49.66 N +ATOM 1519 N ASP H 170 15.241 -13.912 39.358 1.00 21.62 N +ATOM 1520 CA ASP H 170 14.775 -15.260 39.710 1.00 22.42 C +ATOM 1521 C ASP H 170 13.966 -16.000 38.668 1.00 22.41 C +ATOM 1522 O ASP H 170 13.595 -17.161 38.956 1.00 22.93 O +ATOM 1523 CB ASP H 170 13.993 -15.243 41.020 1.00 20.19 C +ATOM 1524 CG ASP H 170 14.927 -14.950 42.185 1.00 23.85 C +ATOM 1525 OD1 ASP H 170 16.142 -15.218 42.126 1.00 25.84 O +ATOM 1526 OD2 ASP H 170 14.278 -14.639 43.181 1.00 27.81 O +ATOM 1527 N SER H 171 13.801 -15.399 37.481 1.00 22.23 N +ATOM 1528 CA SER H 171 13.045 -16.081 36.416 1.00 21.31 C +ATOM 1529 C SER H 171 14.035 -16.783 35.495 1.00 21.23 C +ATOM 1530 O SER H 171 13.606 -17.560 34.634 1.00 22.82 O +ATOM 1531 CB SER H 171 12.165 -15.105 35.594 1.00 20.45 C +ATOM 1532 OG SER H 171 13.031 -14.164 34.926 1.00 18.76 O +ATOM 1533 N THR H 172 15.331 -16.590 35.633 1.00 19.71 N +ATOM 1534 CA THR H 172 16.208 -17.148 34.590 1.00 20.61 C +ATOM 1535 C THR H 172 17.533 -17.605 35.208 1.00 21.42 C +ATOM 1536 O THR H 172 17.757 -17.198 36.353 1.00 21.86 O +ATOM 1537 CB THR H 172 16.478 -15.961 33.552 1.00 18.03 C +ATOM 1538 OG1 THR H 172 17.344 -16.412 32.496 1.00 18.37 O +ATOM 1539 CG2 THR H 172 16.951 -14.653 34.188 1.00 17.52 C +ATOM 1540 N ARG H 173 18.332 -18.271 34.401 1.00 21.59 N +ATOM 1541 CA ARG H 173 19.665 -18.655 34.829 1.00 23.08 C +ATOM 1542 C ARG H 173 20.617 -17.646 34.226 1.00 22.97 C +ATOM 1543 O ARG H 173 21.779 -17.783 34.616 1.00 23.40 O +ATOM 1544 CB ARG H 173 20.131 -20.053 34.394 1.00 27.48 C +ATOM 1545 CG ARG H 173 19.278 -21.155 34.994 1.00 34.70 C +ATOM 1546 CD ARG H 173 19.333 -22.451 34.259 1.00 38.57 C +ATOM 1547 NE ARG H 173 20.517 -23.217 34.654 1.00 42.78 N +ATOM 1548 CZ ARG H 173 20.501 -24.558 34.594 1.00 44.01 C +ATOM 1549 NH1 ARG H 173 19.456 -25.237 34.130 1.00 44.42 N +ATOM 1550 NH2 ARG H 173 21.489 -25.177 35.234 1.00 47.09 N +ATOM 1551 N ILE H 174 20.213 -16.773 33.309 1.00 23.08 N +ATOM 1552 CA ILE H 174 21.147 -15.822 32.666 1.00 22.43 C +ATOM 1553 C ILE H 174 21.531 -14.737 33.717 1.00 21.43 C +ATOM 1554 O ILE H 174 20.718 -14.356 34.550 1.00 21.17 O +ATOM 1555 CB ILE H 174 20.641 -15.177 31.327 1.00 25.42 C +ATOM 1556 CG1 ILE H 174 20.612 -16.284 30.228 1.00 28.86 C +ATOM 1557 CG2 ILE H 174 21.430 -14.000 30.769 1.00 23.32 C +ATOM 1558 CD1 ILE H 174 19.179 -16.893 30.171 1.00 33.99 C +ATOM 1559 N ARG H 175 22.804 -14.394 33.621 1.00 21.38 N +ATOM 1560 CA ARG H 175 23.313 -13.370 34.546 1.00 23.17 C +ATOM 1561 C ARG H 175 22.727 -12.018 34.090 1.00 23.16 C +ATOM 1562 O ARG H 175 23.085 -11.559 32.994 1.00 24.80 O +ATOM 1563 CB ARG H 175 24.842 -13.270 34.498 1.00 23.04 C +ATOM 1564 CG ARG H 175 25.397 -12.254 35.505 1.00 28.23 C +ATOM 1565 CD ARG H 175 26.886 -12.221 35.595 1.00 24.46 C +ATOM 1566 NE ARG H 175 27.467 -11.922 34.284 1.00 27.82 N +ATOM 1567 CZ ARG H 175 27.814 -10.694 33.883 1.00 25.66 C +ATOM 1568 NH1 ARG H 175 27.575 -9.638 34.644 1.00 28.03 N +ATOM 1569 NH2 ARG H 175 28.344 -10.460 32.690 1.00 30.78 N +ATOM 1570 N ILE H 176 21.856 -11.413 34.885 1.00 23.64 N +ATOM 1571 CA ILE H 176 21.374 -10.066 34.498 1.00 24.63 C +ATOM 1572 C ILE H 176 22.221 -8.930 35.075 1.00 25.36 C +ATOM 1573 O ILE H 176 22.885 -9.069 36.145 1.00 26.10 O +ATOM 1574 CB ILE H 176 19.827 -9.989 34.560 1.00 26.65 C +ATOM 1575 CG1 ILE H 176 19.323 -9.879 35.986 1.00 28.15 C +ATOM 1576 CG2 ILE H 176 19.153 -11.172 33.819 1.00 23.07 C +ATOM 1577 CD1 ILE H 176 18.134 -8.850 36.057 1.00 33.54 C +ATOM 1578 N THR H 177 22.425 -7.881 34.278 1.00 23.36 N +ATOM 1579 CA THR H 177 23.208 -6.697 34.609 1.00 21.68 C +ATOM 1580 C THR H 177 22.360 -5.429 34.807 1.00 19.95 C +ATOM 1581 O THR H 177 21.124 -5.403 34.655 1.00 20.10 O +ATOM 1582 CB THR H 177 24.322 -6.441 33.549 1.00 20.24 C +ATOM 1583 OG1 THR H 177 23.591 -5.739 32.445 1.00 23.27 O +ATOM 1584 CG2 THR H 177 24.982 -7.712 33.033 1.00 19.13 C +ATOM 1585 N ASP H 178 23.047 -4.393 35.264 1.00 17.51 N +ATOM 1586 CA ASP H 178 22.379 -3.118 35.504 1.00 18.10 C +ATOM 1587 C ASP H 178 21.990 -2.454 34.141 1.00 17.26 C +ATOM 1588 O ASP H 178 21.295 -1.436 34.193 1.00 17.38 O +ATOM 1589 CB ASP H 178 23.257 -2.144 36.302 1.00 21.49 C +ATOM 1590 CG ASP H 178 23.422 -2.602 37.754 1.00 24.79 C +ATOM 1591 OD1 ASP H 178 22.534 -3.260 38.290 1.00 27.12 O +ATOM 1592 OD2 ASP H 178 24.449 -2.157 38.309 1.00 27.95 O +ATOM 1593 N ASN H 179 22.582 -2.921 33.059 1.00 16.38 N +ATOM 1594 CA ASN H 179 22.202 -2.384 31.729 1.00 17.60 C +ATOM 1595 C ASN H 179 20.947 -3.068 31.151 1.00 17.30 C +ATOM 1596 O ASN H 179 20.768 -2.813 29.955 1.00 18.13 O +ATOM 1597 CB ASN H 179 23.362 -2.533 30.785 1.00 17.23 C +ATOM 1598 CG ASN H 179 24.628 -1.952 31.422 1.00 22.07 C +ATOM 1599 OD1 ASN H 179 24.624 -0.792 31.843 1.00 20.43 O +ATOM 1600 ND2 ASN H 179 25.711 -2.720 31.357 1.00 22.67 N +ATOM 1601 N MET H 180 20.152 -3.762 31.874 1.00 17.34 N +ATOM 1602 CA MET H 180 18.975 -4.515 31.478 1.00 18.71 C +ATOM 1603 C MET H 180 17.853 -4.249 32.444 1.00 18.44 C +ATOM 1604 O MET H 180 18.238 -4.009 33.594 1.00 19.49 O +ATOM 1605 CB MET H 180 19.152 -6.078 31.569 1.00 19.53 C +ATOM 1606 CG MET H 180 20.384 -6.446 30.811 1.00 20.10 C +ATOM 1607 SD MET H 180 20.533 -8.264 31.053 1.00 18.86 S +ATOM 1608 CE MET H 180 22.072 -8.470 30.229 1.00 16.98 C +ATOM 1609 N PHE H 181 16.599 -4.391 32.048 1.00 16.44 N +ATOM 1610 CA PHE H 181 15.431 -4.332 32.890 1.00 16.88 C +ATOM 1611 C PHE H 181 14.443 -5.383 32.262 1.00 17.30 C +ATOM 1612 O PHE H 181 14.663 -5.683 31.076 1.00 17.88 O +ATOM 1613 CB PHE H 181 14.834 -2.975 33.177 1.00 17.97 C +ATOM 1614 CG PHE H 181 14.168 -2.292 31.968 1.00 17.09 C +ATOM 1615 CD1 PHE H 181 12.804 -2.510 31.742 1.00 17.36 C +ATOM 1616 CD2 PHE H 181 14.902 -1.432 31.158 1.00 18.98 C +ATOM 1617 CE1 PHE H 181 12.190 -1.918 30.645 1.00 20.33 C +ATOM 1618 CE2 PHE H 181 14.270 -0.717 30.115 1.00 15.85 C +ATOM 1619 CZ PHE H 181 12.898 -0.954 29.908 1.00 15.99 C +ATOM 1620 N CYS H 182 13.539 -5.945 33.040 1.00 19.02 N +ATOM 1621 CA CYS H 182 12.571 -6.912 32.421 1.00 19.11 C +ATOM 1622 C CYS H 182 11.196 -6.311 32.545 1.00 18.80 C +ATOM 1623 O CYS H 182 10.991 -5.418 33.382 1.00 18.70 O +ATOM 1624 CB CYS H 182 12.763 -8.338 32.918 1.00 20.24 C +ATOM 1625 SG CYS H 182 11.887 -8.845 34.390 1.00 23.15 S +ATOM 1626 N ALA H 183 10.255 -6.799 31.767 1.00 19.47 N +ATOM 1627 CA ALA H 183 8.870 -6.269 31.730 1.00 20.19 C +ATOM 1628 C ALA H 183 7.930 -7.399 31.280 1.00 19.67 C +ATOM 1629 O ALA H 183 8.330 -8.315 30.540 1.00 20.56 O +ATOM 1630 CB ALA H 183 8.726 -5.067 30.793 1.00 18.40 C +ATOM 1631 N GLY H 184 6.759 -7.418 31.864 1.00 20.51 N +ATOM 1632 CA GLY H 184 5.769 -8.460 31.480 1.00 22.14 C +ATOM 1633 C GLY H 184 4.893 -8.705 32.680 1.00 23.29 C +ATOM 1634 O GLY H 184 5.198 -8.273 33.803 1.00 23.64 O +ATOM 1635 N TYR H 184A 3.726 -9.292 32.439 1.00 24.46 N +ATOM 1636 CA TYR H 184A 2.858 -9.627 33.591 1.00 26.20 C +ATOM 1637 C TYR H 184A 3.394 -10.957 34.197 1.00 28.30 C +ATOM 1638 O TYR H 184A 4.080 -11.760 33.534 1.00 28.00 O +ATOM 1639 CB TYR H 184A 1.440 -9.885 33.067 1.00 25.46 C +ATOM 1640 CG TYR H 184A 0.856 -8.610 32.520 1.00 25.34 C +ATOM 1641 CD1 TYR H 184A 0.320 -7.754 33.480 1.00 25.57 C +ATOM 1642 CD2 TYR H 184A 0.904 -8.253 31.167 1.00 27.21 C +ATOM 1643 CE1 TYR H 184A -0.181 -6.512 33.101 1.00 27.10 C +ATOM 1644 CE2 TYR H 184A 0.317 -7.024 30.772 1.00 27.14 C +ATOM 1645 CZ TYR H 184A -0.182 -6.161 31.753 1.00 28.62 C +ATOM 1646 OH TYR H 184A -0.775 -4.946 31.506 1.00 28.70 O +ATOM 1647 N LYS H 185 2.948 -11.166 35.410 1.00 29.91 N +ATOM 1648 CA LYS H 185 3.186 -12.352 36.242 1.00 32.76 C +ATOM 1649 C LYS H 185 2.118 -13.400 35.955 1.00 35.15 C +ATOM 1650 O LYS H 185 1.051 -12.983 35.451 1.00 35.72 O +ATOM 1651 CB LYS H 185 2.995 -11.910 37.712 1.00 32.10 C +ATOM 1652 CG LYS H 185 4.298 -11.181 38.032 1.00 33.82 C +ATOM 1653 CD LYS H 185 4.230 -10.368 39.285 1.00 35.69 C +ATOM 1654 CE LYS H 185 5.600 -9.690 39.399 1.00 35.45 C +ATOM 1655 NZ LYS H 185 5.413 -8.727 40.513 1.00 41.59 N +ATOM 1656 N PRO H 186 2.421 -14.658 36.290 1.00 36.59 N +ATOM 1657 CA PRO H 186 1.470 -15.730 35.973 1.00 37.86 C +ATOM 1658 C PRO H 186 0.144 -15.549 36.683 1.00 38.40 C +ATOM 1659 O PRO H 186 -0.930 -15.819 36.093 1.00 38.99 O +ATOM 1660 CB PRO H 186 2.249 -17.027 36.094 1.00 37.44 C +ATOM 1661 CG PRO H 186 3.672 -16.666 36.377 1.00 37.14 C +ATOM 1662 CD PRO H 186 3.731 -15.187 36.665 1.00 36.80 C +ATOM 1663 N ASP H 186A 0.183 -14.899 37.820 1.00 39.74 N +ATOM 1664 CA ASP H 186A -0.983 -14.690 38.695 1.00 41.73 C +ATOM 1665 C ASP H 186A -1.905 -13.573 38.212 1.00 42.55 C +ATOM 1666 O ASP H 186A -3.103 -13.501 38.544 1.00 42.73 O +ATOM 1667 N GLU H 186B -1.284 -12.715 37.420 1.00 42.97 N +ATOM 1668 CA GLU H 186B -1.772 -11.483 36.872 1.00 42.55 C +ATOM 1669 C GLU H 186B -2.929 -11.480 35.936 1.00 42.69 C +ATOM 1670 O GLU H 186B -3.593 -10.412 35.892 1.00 44.08 O +ATOM 1671 CB GLU H 186B -0.629 -10.626 36.303 1.00 43.64 C +ATOM 1672 CG GLU H 186B -0.160 -9.598 37.334 1.00 43.58 C +ATOM 1673 CD GLU H 186B 1.108 -8.866 37.085 1.00 44.16 C +ATOM 1674 OE1 GLU H 186B 2.068 -9.103 36.391 1.00 45.38 O +ATOM 1675 OE2 GLU H 186B 1.166 -7.846 37.804 1.00 47.94 O +ATOM 1676 N GLY H 186C -3.225 -12.489 35.165 1.00 42.25 N +ATOM 1677 CA GLY H 186C -4.442 -12.344 34.338 1.00 42.42 C +ATOM 1678 C GLY H 186C -4.251 -11.298 33.257 1.00 42.26 C +ATOM 1679 O GLY H 186C -5.054 -10.366 33.050 1.00 44.04 O +ATOM 1680 N LYS H 186D -3.181 -11.455 32.512 1.00 40.71 N +ATOM 1681 CA LYS H 186D -2.875 -10.583 31.359 1.00 37.22 C +ATOM 1682 C LYS H 186D -1.564 -11.136 30.819 1.00 35.44 C +ATOM 1683 O LYS H 186D -0.746 -11.598 31.635 1.00 36.03 O +ATOM 1684 CB LYS H 186D -2.802 -9.145 31.806 1.00 38.16 C +ATOM 1685 CG LYS H 186D -4.124 -8.445 31.896 1.00 39.72 C +ATOM 1686 CD LYS H 186D -4.036 -6.935 31.818 1.00 43.25 C +ATOM 1687 CE LYS H 186D -4.046 -6.337 33.215 1.00 46.76 C +ATOM 1688 NZ LYS H 186D -4.964 -7.109 34.111 1.00 49.05 N +ATOM 1689 N ARG H 187 -1.393 -11.139 29.526 1.00 33.09 N +ATOM 1690 CA ARG H 187 -0.244 -11.651 28.803 1.00 30.40 C +ATOM 1691 C ARG H 187 0.316 -10.569 27.871 1.00 28.83 C +ATOM 1692 O ARG H 187 -0.250 -9.468 27.761 1.00 29.14 O +ATOM 1693 CB ARG H 187 -0.705 -12.833 27.925 1.00 29.94 C +ATOM 1694 CG ARG H 187 -1.479 -13.876 28.716 1.00 31.46 C +ATOM 1695 CD ARG H 187 -1.570 -15.110 27.863 1.00 32.77 C +ATOM 1696 NE ARG H 187 -0.193 -15.602 27.685 1.00 33.18 N +ATOM 1697 CZ ARG H 187 0.344 -16.321 28.701 1.00 35.31 C +ATOM 1698 NH1 ARG H 187 -0.378 -16.608 29.795 1.00 33.30 N +ATOM 1699 NH2 ARG H 187 1.615 -16.747 28.615 1.00 34.99 N +ATOM 1700 N GLY H 188 1.271 -10.952 27.068 1.00 27.17 N +ATOM 1701 CA GLY H 188 1.912 -10.058 26.110 1.00 24.81 C +ATOM 1702 C GLY H 188 3.421 -10.171 26.247 1.00 24.77 C +ATOM 1703 O GLY H 188 4.010 -10.381 27.346 1.00 25.43 O +ATOM 1704 N ASP H 189 4.054 -9.967 25.102 1.00 23.55 N +ATOM 1705 CA ASP H 189 5.531 -10.002 25.047 1.00 21.43 C +ATOM 1706 C ASP H 189 5.938 -9.577 23.633 1.00 21.27 C +ATOM 1707 O ASP H 189 5.071 -9.618 22.731 1.00 20.93 O +ATOM 1708 CB ASP H 189 6.037 -11.385 25.433 1.00 18.15 C +ATOM 1709 CG ASP H 189 7.521 -11.445 25.768 1.00 21.95 C +ATOM 1710 OD1 ASP H 189 8.234 -10.417 25.818 1.00 19.21 O +ATOM 1711 OD2 ASP H 189 8.062 -12.573 25.804 1.00 20.77 O +ATOM 1712 N ALA H 190 7.199 -9.232 23.505 1.00 19.10 N +ATOM 1713 CA ALA H 190 7.870 -9.061 22.232 1.00 18.83 C +ATOM 1714 C ALA H 190 8.115 -10.519 21.743 1.00 20.33 C +ATOM 1715 O ALA H 190 8.095 -11.470 22.539 1.00 19.52 O +ATOM 1716 CB ALA H 190 9.200 -8.324 22.313 1.00 13.42 C +ATOM 1717 N CYS H 191 8.462 -10.665 20.484 1.00 20.79 N +ATOM 1718 CA CYS H 191 8.767 -12.003 19.923 1.00 21.98 C +ATOM 1719 C CYS H 191 9.768 -11.790 18.829 1.00 22.85 C +ATOM 1720 O CYS H 191 10.228 -10.644 18.613 1.00 22.22 O +ATOM 1721 CB CYS H 191 7.496 -12.747 19.499 1.00 24.03 C +ATOM 1722 SG CYS H 191 7.616 -14.536 19.358 1.00 24.96 S +ATOM 1723 N GLU H 192 10.126 -12.892 18.128 1.00 24.16 N +ATOM 1724 CA GLU H 192 11.124 -12.728 17.067 1.00 24.34 C +ATOM 1725 C GLU H 192 10.630 -11.701 16.030 1.00 22.75 C +ATOM 1726 O GLU H 192 9.444 -11.802 15.714 1.00 22.09 O +ATOM 1727 CB GLU H 192 11.456 -14.006 16.280 1.00 33.61 C +ATOM 1728 CG GLU H 192 10.436 -15.106 16.228 1.00 43.64 C +ATOM 1729 CD GLU H 192 10.555 -16.258 17.185 1.00 50.00 C +ATOM 1730 OE1 GLU H 192 11.447 -16.068 18.073 1.00 50.00 O +ATOM 1731 OE2 GLU H 192 9.789 -17.243 17.134 1.00 50.00 O +ATOM 1732 N GLY H 193 11.500 -10.881 15.498 1.00 21.68 N +ATOM 1733 CA GLY H 193 11.111 -9.884 14.473 1.00 20.31 C +ATOM 1734 C GLY H 193 10.867 -8.588 15.260 1.00 19.47 C +ATOM 1735 O GLY H 193 11.129 -7.572 14.605 1.00 20.88 O +ATOM 1736 N ASP H 194 10.618 -8.644 16.536 1.00 19.06 N +ATOM 1737 CA ASP H 194 10.494 -7.422 17.384 1.00 18.59 C +ATOM 1738 C ASP H 194 11.841 -6.870 17.911 1.00 18.96 C +ATOM 1739 O ASP H 194 11.899 -5.652 18.341 1.00 18.38 O +ATOM 1740 CB ASP H 194 9.528 -7.683 18.550 1.00 17.72 C +ATOM 1741 CG ASP H 194 8.097 -7.949 18.057 1.00 22.03 C +ATOM 1742 OD1 ASP H 194 7.729 -7.275 17.063 1.00 19.48 O +ATOM 1743 OD2 ASP H 194 7.389 -8.756 18.686 1.00 18.00 O +ATOM 1744 N SER H 195 12.900 -7.672 17.905 1.00 18.29 N +ATOM 1745 CA SER H 195 14.253 -7.236 18.352 1.00 18.29 C +ATOM 1746 C SER H 195 14.588 -5.849 17.860 1.00 18.29 C +ATOM 1747 O SER H 195 14.352 -5.570 16.651 1.00 17.74 O +ATOM 1748 CB SER H 195 15.344 -8.176 17.808 1.00 17.07 C +ATOM 1749 OG SER H 195 15.258 -9.367 18.561 1.00 17.71 O +ATOM 1750 N GLY H 196 15.226 -5.062 18.746 1.00 16.11 N +ATOM 1751 CA GLY H 196 15.648 -3.705 18.350 1.00 14.02 C +ATOM 1752 C GLY H 196 14.562 -2.654 18.404 1.00 13.56 C +ATOM 1753 O GLY H 196 14.933 -1.460 18.394 1.00 14.18 O +ATOM 1754 N GLY H 197 13.295 -2.970 18.601 1.00 14.59 N +ATOM 1755 CA GLY H 197 12.260 -1.947 18.678 1.00 14.19 C +ATOM 1756 C GLY H 197 12.356 -1.204 20.014 1.00 16.21 C +ATOM 1757 O GLY H 197 12.874 -1.667 21.073 1.00 14.66 O +ATOM 1758 N PRO H 198 11.505 -0.172 20.090 1.00 17.01 N +ATOM 1759 CA PRO H 198 11.463 0.711 21.275 1.00 16.09 C +ATOM 1760 C PRO H 198 10.543 0.271 22.331 1.00 15.65 C +ATOM 1761 O PRO H 198 9.344 -0.098 22.087 1.00 17.31 O +ATOM 1762 CB PRO H 198 10.961 2.085 20.760 1.00 16.61 C +ATOM 1763 CG PRO H 198 10.258 1.741 19.463 1.00 17.16 C +ATOM 1764 CD PRO H 198 10.846 0.472 18.916 1.00 17.08 C +ATOM 1765 N PHE H 199 10.958 0.442 23.586 1.00 14.16 N +ATOM 1766 CA PHE H 199 10.079 0.297 24.767 1.00 12.84 C +ATOM 1767 C PHE H 199 9.866 1.767 25.220 1.00 13.93 C +ATOM 1768 O PHE H 199 10.843 2.455 25.588 1.00 12.85 O +ATOM 1769 CB PHE H 199 10.599 -0.689 25.831 1.00 12.14 C +ATOM 1770 CG PHE H 199 9.905 -0.735 27.125 1.00 13.41 C +ATOM 1771 CD1 PHE H 199 9.962 0.374 27.993 1.00 14.41 C +ATOM 1772 CD2 PHE H 199 9.056 -1.781 27.532 1.00 14.18 C +ATOM 1773 CE1 PHE H 199 9.254 0.471 29.189 1.00 15.19 C +ATOM 1774 CE2 PHE H 199 8.368 -1.767 28.727 1.00 15.80 C +ATOM 1775 CZ PHE H 199 8.470 -0.655 29.595 1.00 15.06 C +ATOM 1776 N VAL H 200 8.643 2.289 25.080 1.00 14.06 N +ATOM 1777 CA VAL H 200 8.403 3.739 25.392 1.00 13.54 C +ATOM 1778 C VAL H 200 7.474 3.902 26.536 1.00 13.21 C +ATOM 1779 O VAL H 200 6.587 3.087 26.872 1.00 14.74 O +ATOM 1780 CB VAL H 200 7.954 4.529 24.135 1.00 16.58 C +ATOM 1781 CG1 VAL H 200 8.843 4.496 22.925 1.00 17.04 C +ATOM 1782 CG2 VAL H 200 6.514 4.110 23.750 1.00 12.57 C +ATOM 1783 N MET H 201 7.559 5.120 27.104 1.00 14.33 N +ATOM 1784 CA MET H 201 6.742 5.606 28.181 1.00 15.31 C +ATOM 1785 C MET H 201 6.333 7.056 27.914 1.00 16.28 C +ATOM 1786 O MET H 201 7.098 7.826 27.367 1.00 16.87 O +ATOM 1787 CB MET H 201 7.445 5.437 29.553 1.00 16.28 C +ATOM 1788 CG MET H 201 7.592 3.969 29.901 1.00 19.43 C +ATOM 1789 SD MET H 201 8.619 3.804 31.455 1.00 20.66 S +ATOM 1790 CE MET H 201 7.214 3.618 32.543 1.00 17.74 C +ATOM 1791 N LYS H 202 5.189 7.466 28.391 1.00 17.95 N +ATOM 1792 CA LYS H 202 4.713 8.852 28.188 1.00 18.85 C +ATOM 1793 C LYS H 202 4.822 9.620 29.522 1.00 17.99 C +ATOM 1794 O LYS H 202 4.256 9.177 30.524 1.00 18.68 O +ATOM 1795 CB LYS H 202 3.259 8.895 27.743 1.00 17.01 C +ATOM 1796 CG LYS H 202 2.758 10.345 27.593 1.00 19.79 C +ATOM 1797 CD LYS H 202 1.591 10.319 26.593 1.00 19.51 C +ATOM 1798 CE LYS H 202 1.106 11.756 26.519 1.00 20.83 C +ATOM 1799 NZ LYS H 202 -0.114 11.894 25.697 1.00 21.59 N +ATOM 1800 N SER H 203 5.599 10.678 29.497 1.00 18.56 N +ATOM 1801 CA SER H 203 5.799 11.502 30.715 1.00 19.65 C +ATOM 1802 C SER H 203 4.519 12.205 31.101 1.00 21.09 C +ATOM 1803 O SER H 203 3.967 12.942 30.245 1.00 21.74 O +ATOM 1804 CB SER H 203 7.011 12.451 30.569 1.00 21.74 C +ATOM 1805 OG SER H 203 7.000 13.324 31.734 1.00 23.15 O +ATOM 1806 N PRO H 204 4.118 12.002 32.352 1.00 21.10 N +ATOM 1807 CA PRO H 204 2.926 12.644 32.926 1.00 21.31 C +ATOM 1808 C PRO H 204 3.216 14.134 33.225 1.00 21.80 C +ATOM 1809 O PRO H 204 2.222 14.902 33.355 1.00 22.45 O +ATOM 1810 CB PRO H 204 2.653 11.896 34.228 1.00 22.27 C +ATOM 1811 CG PRO H 204 3.895 11.118 34.545 1.00 21.36 C +ATOM 1812 CD PRO H 204 4.801 11.165 33.344 1.00 21.02 C +ATOM 1813 N PHE H 204A 4.450 14.564 33.171 1.00 21.39 N +ATOM 1814 CA PHE H 204A 4.927 15.915 33.461 1.00 21.72 C +ATOM 1815 C PHE H 204A 4.954 16.845 32.251 1.00 21.80 C +ATOM 1816 O PHE H 204A 4.723 18.070 32.396 1.00 20.38 O +ATOM 1817 CB PHE H 204A 6.355 15.917 34.096 1.00 23.29 C +ATOM 1818 CG PHE H 204A 6.498 14.960 35.232 1.00 25.53 C +ATOM 1819 CD1 PHE H 204A 5.972 15.215 36.488 1.00 25.57 C +ATOM 1820 CD2 PHE H 204A 7.175 13.753 35.036 1.00 29.03 C +ATOM 1821 CE1 PHE H 204A 6.078 14.351 37.566 1.00 26.51 C +ATOM 1822 CE2 PHE H 204A 7.286 12.815 36.090 1.00 26.64 C +ATOM 1823 CZ PHE H 204A 6.706 13.116 37.329 1.00 27.07 C +ATOM 1824 N ASN H 204B 5.385 16.261 31.119 1.00 21.40 N +ATOM 1825 CA ASN H 204B 5.509 17.085 29.913 1.00 21.04 C +ATOM 1826 C ASN H 204B 4.790 16.490 28.691 1.00 21.76 C +ATOM 1827 O ASN H 204B 5.009 17.055 27.612 1.00 20.28 O +ATOM 1828 CB ASN H 204B 6.951 17.475 29.655 1.00 20.76 C +ATOM 1829 CG ASN H 204B 7.814 16.336 29.178 1.00 22.59 C +ATOM 1830 OD1 ASN H 204B 9.033 16.528 29.017 1.00 23.88 O +ATOM 1831 ND2 ASN H 204B 7.222 15.157 29.061 1.00 17.69 N +ATOM 1832 N ASN H 205 4.084 15.406 28.888 1.00 21.58 N +ATOM 1833 CA ASN H 205 3.289 14.725 27.870 1.00 22.18 C +ATOM 1834 C ASN H 205 4.065 14.294 26.646 1.00 20.86 C +ATOM 1835 O ASN H 205 3.489 13.983 25.605 1.00 20.50 O +ATOM 1836 CB ASN H 205 2.049 15.612 27.605 1.00 32.85 C +ATOM 1837 CG ASN H 205 1.339 15.930 28.920 1.00 40.30 C +ATOM 1838 OD1 ASN H 205 0.444 15.198 29.421 1.00 46.03 O +ATOM 1839 ND2 ASN H 205 1.742 17.000 29.648 1.00 45.85 N +ATOM 1840 N ARG H 206 5.362 14.093 26.798 1.00 18.26 N +ATOM 1841 CA ARG H 206 6.266 13.630 25.799 1.00 17.75 C +ATOM 1842 C ARG H 206 6.546 12.115 25.892 1.00 15.99 C +ATOM 1843 O ARG H 206 6.569 11.608 27.014 1.00 15.23 O +ATOM 1844 CB ARG H 206 7.602 14.343 25.856 1.00 17.83 C +ATOM 1845 CG ARG H 206 7.487 15.786 25.360 1.00 21.76 C +ATOM 1846 CD ARG H 206 8.877 16.247 25.091 1.00 23.08 C +ATOM 1847 NE ARG H 206 8.851 17.695 25.020 1.00 26.17 N +ATOM 1848 CZ ARG H 206 9.286 18.406 23.989 1.00 26.86 C +ATOM 1849 NH1 ARG H 206 9.743 17.823 22.894 1.00 23.80 N +ATOM 1850 NH2 ARG H 206 9.143 19.739 24.074 1.00 27.35 N +ATOM 1851 N TRP H 207 6.797 11.497 24.738 1.00 14.22 N +ATOM 1852 CA TRP H 207 7.148 10.056 24.721 1.00 14.96 C +ATOM 1853 C TRP H 207 8.659 9.894 24.815 1.00 13.46 C +ATOM 1854 O TRP H 207 9.406 10.495 24.016 1.00 15.32 O +ATOM 1855 CB TRP H 207 6.614 9.303 23.471 1.00 12.13 C +ATOM 1856 CG TRP H 207 5.144 9.099 23.529 1.00 15.65 C +ATOM 1857 CD1 TRP H 207 4.234 10.020 23.029 1.00 13.74 C +ATOM 1858 CD2 TRP H 207 4.377 8.008 24.059 1.00 16.47 C +ATOM 1859 NE1 TRP H 207 2.982 9.552 23.275 1.00 17.14 N +ATOM 1860 CE2 TRP H 207 3.006 8.302 23.820 1.00 16.49 C +ATOM 1861 CE3 TRP H 207 4.702 6.808 24.665 1.00 15.16 C +ATOM 1862 CZ2 TRP H 207 1.959 7.507 24.262 1.00 14.33 C +ATOM 1863 CZ3 TRP H 207 3.674 5.925 24.984 1.00 16.11 C +ATOM 1864 CH2 TRP H 207 2.321 6.298 24.792 1.00 16.83 C +ATOM 1865 N TYR H 208 9.086 9.033 25.741 1.00 13.30 N +ATOM 1866 CA TYR H 208 10.559 8.747 25.886 1.00 14.13 C +ATOM 1867 C TYR H 208 10.887 7.286 25.614 1.00 15.30 C +ATOM 1868 O TYR H 208 10.094 6.396 26.014 1.00 18.65 O +ATOM 1869 CB TYR H 208 10.850 8.988 27.391 1.00 15.38 C +ATOM 1870 CG TYR H 208 10.892 10.501 27.643 1.00 14.76 C +ATOM 1871 CD1 TYR H 208 12.129 11.139 27.471 1.00 12.98 C +ATOM 1872 CD2 TYR H 208 9.763 11.179 28.087 1.00 16.89 C +ATOM 1873 CE1 TYR H 208 12.285 12.515 27.670 1.00 16.79 C +ATOM 1874 CE2 TYR H 208 9.877 12.579 28.296 1.00 20.70 C +ATOM 1875 CZ TYR H 208 11.131 13.186 28.081 1.00 20.33 C +ATOM 1876 OH TYR H 208 11.238 14.544 28.302 1.00 25.15 O +ATOM 1877 N GLN H 209 12.006 7.003 24.995 1.00 15.70 N +ATOM 1878 CA GLN H 209 12.394 5.605 24.736 1.00 14.88 C +ATOM 1879 C GLN H 209 13.198 5.123 25.979 1.00 14.89 C +ATOM 1880 O GLN H 209 14.335 5.610 26.103 1.00 16.54 O +ATOM 1881 CB GLN H 209 13.287 5.503 23.502 1.00 12.27 C +ATOM 1882 CG GLN H 209 13.667 4.000 23.353 1.00 13.46 C +ATOM 1883 CD GLN H 209 14.019 3.647 21.937 1.00 14.93 C +ATOM 1884 OE1 GLN H 209 14.070 4.501 21.026 1.00 15.78 O +ATOM 1885 NE2 GLN H 209 14.484 2.419 21.827 1.00 14.59 N +ATOM 1886 N MET H 210 12.585 4.324 26.856 1.00 14.58 N +ATOM 1887 CA MET H 210 13.315 3.845 28.050 1.00 15.49 C +ATOM 1888 C MET H 210 14.131 2.602 27.748 1.00 15.94 C +ATOM 1889 O MET H 210 15.045 2.243 28.541 1.00 16.34 O +ATOM 1890 CB MET H 210 12.391 3.592 29.199 1.00 16.85 C +ATOM 1891 CG MET H 210 11.362 4.674 29.494 1.00 23.27 C +ATOM 1892 SD MET H 210 12.266 6.226 29.699 1.00 27.90 S +ATOM 1893 CE MET H 210 13.236 5.922 31.162 1.00 28.22 C +ATOM 1894 N GLY H 211 13.611 1.796 26.800 1.00 15.07 N +ATOM 1895 CA GLY H 211 14.237 0.442 26.510 1.00 13.15 C +ATOM 1896 C GLY H 211 14.308 0.104 25.077 1.00 13.45 C +ATOM 1897 O GLY H 211 13.704 0.776 24.154 1.00 13.55 O +ATOM 1898 N ILE H 212 15.090 -0.921 24.746 1.00 14.64 N +ATOM 1899 CA ILE H 212 15.277 -1.525 23.425 1.00 14.12 C +ATOM 1900 C ILE H 212 14.935 -3.015 23.593 1.00 15.95 C +ATOM 1901 O ILE H 212 15.480 -3.644 24.522 1.00 13.70 O +ATOM 1902 CB ILE H 212 16.686 -1.368 22.823 1.00 16.36 C +ATOM 1903 CG1 ILE H 212 17.072 0.127 22.640 1.00 14.66 C +ATOM 1904 CG2 ILE H 212 17.034 -2.170 21.544 1.00 16.13 C +ATOM 1905 CD1 ILE H 212 18.572 0.332 22.447 1.00 15.22 C +ATOM 1906 N VAL H 213 14.011 -3.535 22.777 1.00 15.67 N +ATOM 1907 CA VAL H 213 13.686 -4.975 22.804 1.00 15.34 C +ATOM 1908 C VAL H 213 14.986 -5.768 22.680 1.00 13.98 C +ATOM 1909 O VAL H 213 15.723 -5.678 21.661 1.00 13.73 O +ATOM 1910 CB VAL H 213 12.665 -5.348 21.687 1.00 15.73 C +ATOM 1911 CG1 VAL H 213 12.298 -6.865 21.793 1.00 16.34 C +ATOM 1912 CG2 VAL H 213 11.394 -4.538 21.805 1.00 15.61 C +ATOM 1913 N SER H 214 15.321 -6.522 23.721 1.00 15.92 N +ATOM 1914 CA SER H 214 16.606 -7.244 23.739 1.00 17.29 C +ATOM 1915 C SER H 214 16.370 -8.739 23.677 1.00 20.27 C +ATOM 1916 O SER H 214 15.971 -9.239 22.611 1.00 23.50 O +ATOM 1917 CB SER H 214 17.489 -6.809 24.936 1.00 17.97 C +ATOM 1918 OG SER H 214 18.771 -7.411 24.826 1.00 15.12 O +ATOM 1919 N TRP H 215 16.373 -9.530 24.718 1.00 21.61 N +ATOM 1920 CA TRP H 215 16.308 -11.000 24.665 1.00 21.41 C +ATOM 1921 C TRP H 215 15.187 -11.477 25.530 1.00 20.47 C +ATOM 1922 O TRP H 215 14.602 -10.741 26.337 1.00 21.24 O +ATOM 1923 CB TRP H 215 17.699 -11.587 24.986 1.00 22.92 C +ATOM 1924 CG TRP H 215 18.199 -11.273 26.362 1.00 23.45 C +ATOM 1925 CD1 TRP H 215 19.074 -10.274 26.711 1.00 22.58 C +ATOM 1926 CD2 TRP H 215 17.851 -11.927 27.598 1.00 25.62 C +ATOM 1927 NE1 TRP H 215 19.342 -10.299 28.048 1.00 22.18 N +ATOM 1928 CE2 TRP H 215 18.640 -11.318 28.619 1.00 24.65 C +ATOM 1929 CE3 TRP H 215 17.105 -13.065 27.931 1.00 22.87 C +ATOM 1930 CZ2 TRP H 215 18.556 -11.747 29.951 1.00 24.53 C +ATOM 1931 CZ3 TRP H 215 17.065 -13.526 29.224 1.00 21.64 C +ATOM 1932 CH2 TRP H 215 17.766 -12.853 30.252 1.00 23.18 C +ATOM 1933 N GLY H 216 14.785 -12.720 25.303 1.00 21.06 N +ATOM 1934 CA GLY H 216 13.751 -13.323 26.187 1.00 21.45 C +ATOM 1935 C GLY H 216 13.869 -14.830 25.859 1.00 21.97 C +ATOM 1936 O GLY H 216 14.414 -15.179 24.801 1.00 22.20 O +ATOM 1937 N GLU H 217 13.353 -15.568 26.809 1.00 23.37 N +ATOM 1938 CA GLU H 217 13.368 -17.060 26.659 1.00 23.96 C +ATOM 1939 C GLU H 217 11.988 -17.415 26.095 1.00 23.43 C +ATOM 1940 O GLU H 217 10.965 -17.422 26.763 1.00 24.41 O +ATOM 1941 CB GLU H 217 13.615 -17.665 28.015 1.00 27.58 C +ATOM 1942 CG GLU H 217 15.029 -17.356 28.590 1.00 31.78 C +ATOM 1943 CD GLU H 217 15.128 -17.712 30.050 1.00 36.19 C +ATOM 1944 OE1 GLU H 217 14.903 -18.805 30.542 1.00 40.44 O +ATOM 1945 OE2 GLU H 217 15.149 -16.711 30.792 1.00 41.12 O +ATOM 1946 N GLY H 219 12.014 -17.482 24.786 1.00 24.03 N +ATOM 1947 CA GLY H 219 10.776 -17.729 24.010 1.00 24.34 C +ATOM 1948 C GLY H 219 10.003 -16.403 23.954 1.00 24.72 C +ATOM 1949 O GLY H 219 10.623 -15.314 24.083 1.00 22.87 O +ATOM 1950 N CYS H 220 8.679 -16.582 23.893 1.00 23.95 N +ATOM 1951 CA CYS H 220 7.786 -15.425 23.780 1.00 25.50 C +ATOM 1952 C CYS H 220 6.563 -15.668 24.609 1.00 25.92 C +ATOM 1953 O CYS H 220 5.913 -16.678 24.241 1.00 28.14 O +ATOM 1954 CB CYS H 220 7.384 -15.102 22.325 1.00 21.07 C +ATOM 1955 SG CYS H 220 8.613 -15.216 21.059 1.00 26.06 S +ATOM 1956 N ASP H 221 6.170 -14.852 25.540 1.00 25.60 N +ATOM 1957 CA ASP H 221 4.976 -14.957 26.322 1.00 26.54 C +ATOM 1958 C ASP H 221 4.846 -16.216 27.182 1.00 28.22 C +ATOM 1959 O ASP H 221 3.694 -16.718 27.380 1.00 29.09 O +ATOM 1960 CB ASP H 221 3.743 -14.758 25.416 1.00 26.11 C +ATOM 1961 CG ASP H 221 2.528 -14.280 26.194 1.00 26.53 C +ATOM 1962 OD1 ASP H 221 2.656 -13.422 27.083 1.00 26.96 O +ATOM 1963 OD2 ASP H 221 1.405 -14.833 25.996 1.00 29.46 O +ATOM 1964 N ARG H 221A 5.963 -16.715 27.669 1.00 28.59 N +ATOM 1965 CA ARG H 221A 5.953 -17.936 28.522 1.00 28.59 C +ATOM 1966 C ARG H 221A 5.498 -17.610 29.917 1.00 28.58 C +ATOM 1967 O ARG H 221A 6.009 -16.543 30.324 1.00 27.18 O +ATOM 1968 CB ARG H 221A 7.412 -18.400 28.644 1.00 30.21 C +ATOM 1969 CG ARG H 221A 8.072 -18.747 27.335 1.00 32.69 C +ATOM 1970 CD ARG H 221A 7.996 -20.194 27.078 1.00 34.73 C +ATOM 1971 NE ARG H 221A 8.860 -20.645 26.016 1.00 36.26 N +ATOM 1972 CZ ARG H 221A 10.178 -20.730 25.995 1.00 38.23 C +ATOM 1973 NH1 ARG H 221A 10.941 -20.348 27.021 1.00 41.22 N +ATOM 1974 NH2 ARG H 221A 10.779 -21.190 24.894 1.00 37.73 N +ATOM 1975 N ASP H 222 4.704 -18.372 30.668 1.00 30.00 N +ATOM 1976 CA ASP H 222 4.402 -18.026 32.075 1.00 30.15 C +ATOM 1977 C ASP H 222 5.687 -18.059 32.907 1.00 30.39 C +ATOM 1978 O ASP H 222 6.544 -18.925 32.650 1.00 30.96 O +ATOM 1979 CB ASP H 222 3.328 -18.864 32.739 1.00 37.81 C +ATOM 1980 CG ASP H 222 1.955 -18.485 32.154 1.00 42.97 C +ATOM 1981 OD1 ASP H 222 1.933 -17.562 31.316 1.00 44.41 O +ATOM 1982 OD2 ASP H 222 0.973 -19.161 32.511 1.00 47.70 O +ATOM 1983 N GLY H 223 5.756 -17.145 33.856 1.00 29.24 N +ATOM 1984 CA GLY H 223 6.965 -17.012 34.664 1.00 28.19 C +ATOM 1985 C GLY H 223 8.226 -16.554 33.987 1.00 28.00 C +ATOM 1986 O GLY H 223 9.314 -16.472 34.627 1.00 28.96 O +ATOM 1987 N LYS H 224 8.221 -16.215 32.697 1.00 26.23 N +ATOM 1988 CA LYS H 224 9.406 -15.671 32.047 1.00 23.04 C +ATOM 1989 C LYS H 224 9.079 -14.196 31.718 1.00 23.64 C +ATOM 1990 O LYS H 224 7.889 -13.854 31.634 1.00 22.97 O +ATOM 1991 CB LYS H 224 9.752 -16.456 30.829 1.00 26.56 C +ATOM 1992 CG LYS H 224 10.074 -17.956 31.031 1.00 28.42 C +ATOM 1993 CD LYS H 224 11.380 -18.050 31.810 1.00 29.20 C +ATOM 1994 CE LYS H 224 11.998 -19.410 31.889 1.00 30.57 C +ATOM 1995 NZ LYS H 224 13.405 -19.291 32.379 1.00 33.38 N +ATOM 1996 N TYR H 225 10.070 -13.371 31.434 1.00 22.24 N +ATOM 1997 CA TYR H 225 9.903 -11.954 31.154 1.00 21.70 C +ATOM 1998 C TYR H 225 10.780 -11.490 30.008 1.00 20.33 C +ATOM 1999 O TYR H 225 11.925 -11.940 29.746 1.00 22.01 O +ATOM 2000 CB TYR H 225 10.284 -11.085 32.410 1.00 21.47 C +ATOM 2001 CG TYR H 225 9.429 -11.477 33.591 1.00 24.02 C +ATOM 2002 CD1 TYR H 225 8.161 -10.945 33.764 1.00 22.65 C +ATOM 2003 CD2 TYR H 225 9.867 -12.513 34.455 1.00 23.64 C +ATOM 2004 CE1 TYR H 225 7.354 -11.355 34.819 1.00 24.57 C +ATOM 2005 CE2 TYR H 225 9.043 -12.967 35.451 1.00 23.55 C +ATOM 2006 CZ TYR H 225 7.806 -12.393 35.627 1.00 24.15 C +ATOM 2007 OH TYR H 225 6.972 -12.783 36.636 1.00 28.51 O +ATOM 2008 N GLY H 226 10.261 -10.462 29.292 1.00 19.77 N +ATOM 2009 CA GLY H 226 11.081 -9.903 28.175 1.00 18.41 C +ATOM 2010 C GLY H 226 12.167 -8.985 28.809 1.00 17.40 C +ATOM 2011 O GLY H 226 11.864 -8.312 29.790 1.00 16.35 O +ATOM 2012 N PHE H 227 13.333 -9.084 28.215 1.00 19.27 N +ATOM 2013 CA PHE H 227 14.485 -8.240 28.627 1.00 19.23 C +ATOM 2014 C PHE H 227 14.693 -7.115 27.600 1.00 18.29 C +ATOM 2015 O PHE H 227 14.626 -7.328 26.379 1.00 17.68 O +ATOM 2016 CB PHE H 227 15.789 -9.006 28.918 1.00 20.21 C +ATOM 2017 CG PHE H 227 15.671 -9.703 30.269 1.00 20.91 C +ATOM 2018 CD1 PHE H 227 14.890 -10.839 30.404 1.00 21.16 C +ATOM 2019 CD2 PHE H 227 16.318 -9.175 31.412 1.00 22.49 C +ATOM 2020 CE1 PHE H 227 14.715 -11.452 31.649 1.00 22.50 C +ATOM 2021 CE2 PHE H 227 16.201 -9.843 32.664 1.00 19.50 C +ATOM 2022 CZ PHE H 227 15.380 -10.952 32.784 1.00 19.05 C +ATOM 2023 N TYR H 228 15.092 -5.955 28.139 1.00 17.30 N +ATOM 2024 CA TYR H 228 15.278 -4.713 27.387 1.00 15.93 C +ATOM 2025 C TYR H 228 16.570 -4.016 27.778 1.00 16.35 C +ATOM 2026 O TYR H 228 16.918 -3.937 28.965 1.00 15.57 O +ATOM 2027 CB TYR H 228 14.125 -3.749 27.770 1.00 16.02 C +ATOM 2028 CG TYR H 228 12.770 -4.336 27.409 1.00 15.42 C +ATOM 2029 CD1 TYR H 228 12.094 -5.209 28.237 1.00 15.44 C +ATOM 2030 CD2 TYR H 228 12.310 -4.145 26.066 1.00 16.40 C +ATOM 2031 CE1 TYR H 228 10.918 -5.826 27.846 1.00 18.24 C +ATOM 2032 CE2 TYR H 228 11.090 -4.684 25.734 1.00 17.72 C +ATOM 2033 CZ TYR H 228 10.525 -5.651 26.508 1.00 17.58 C +ATOM 2034 OH TYR H 228 9.382 -6.268 26.033 1.00 19.27 O +ATOM 2035 N THR H 229 17.204 -3.456 26.788 1.00 16.21 N +ATOM 2036 CA THR H 229 18.379 -2.605 27.001 1.00 17.99 C +ATOM 2037 C THR H 229 17.927 -1.373 27.795 1.00 18.40 C +ATOM 2038 O THR H 229 16.942 -0.701 27.435 1.00 17.48 O +ATOM 2039 CB THR H 229 19.120 -2.217 25.696 1.00 17.72 C +ATOM 2040 OG1 THR H 229 19.351 -3.490 25.005 1.00 19.01 O +ATOM 2041 CG2 THR H 229 20.470 -1.488 25.935 1.00 18.37 C +ATOM 2042 N HIS H 230 18.788 -0.999 28.758 1.00 18.44 N +ATOM 2043 CA HIS H 230 18.433 0.202 29.608 1.00 18.69 C +ATOM 2044 C HIS H 230 19.066 1.410 28.948 1.00 19.04 C +ATOM 2045 O HIS H 230 20.296 1.633 29.007 1.00 20.71 O +ATOM 2046 CB HIS H 230 19.095 0.073 30.990 1.00 16.82 C +ATOM 2047 CG HIS H 230 18.507 0.939 32.012 1.00 16.75 C +ATOM 2048 ND1 HIS H 230 18.577 2.312 31.982 1.00 19.00 N +ATOM 2049 CD2 HIS H 230 18.071 0.555 33.244 1.00 19.97 C +ATOM 2050 CE1 HIS H 230 18.132 2.763 33.160 1.00 17.82 C +ATOM 2051 NE2 HIS H 230 17.738 1.736 33.896 1.00 18.17 N +ATOM 2052 N VAL H 231 18.211 2.167 28.284 1.00 17.94 N +ATOM 2053 CA VAL H 231 18.756 3.225 27.392 1.00 17.76 C +ATOM 2054 C VAL H 231 19.478 4.290 28.230 1.00 16.78 C +ATOM 2055 O VAL H 231 20.466 4.804 27.702 1.00 16.46 O +ATOM 2056 CB VAL H 231 17.610 3.753 26.442 1.00 14.85 C +ATOM 2057 CG1 VAL H 231 18.145 4.934 25.657 1.00 16.57 C +ATOM 2058 CG2 VAL H 231 17.231 2.612 25.493 1.00 13.66 C +ATOM 2059 N PHE H 232 18.840 4.722 29.296 1.00 18.24 N +ATOM 2060 CA PHE H 232 19.428 5.808 30.098 1.00 19.11 C +ATOM 2061 C PHE H 232 20.842 5.441 30.530 1.00 20.35 C +ATOM 2062 O PHE H 232 21.780 6.247 30.425 1.00 21.42 O +ATOM 2063 CB PHE H 232 18.504 6.185 31.271 1.00 21.76 C +ATOM 2064 CG PHE H 232 19.189 7.338 32.038 1.00 25.25 C +ATOM 2065 CD1 PHE H 232 19.493 8.487 31.289 1.00 26.71 C +ATOM 2066 CD2 PHE H 232 19.814 7.109 33.260 1.00 24.71 C +ATOM 2067 CE1 PHE H 232 20.372 9.451 31.777 1.00 29.08 C +ATOM 2068 CE2 PHE H 232 20.701 8.096 33.775 1.00 26.67 C +ATOM 2069 CZ PHE H 232 20.870 9.305 33.072 1.00 27.66 C +ATOM 2070 N ARG H 233 21.080 4.253 31.029 1.00 21.46 N +ATOM 2071 CA ARG H 233 22.455 3.864 31.445 1.00 22.63 C +ATOM 2072 C ARG H 233 23.455 3.962 30.319 1.00 24.00 C +ATOM 2073 O ARG H 233 24.683 3.908 30.601 1.00 24.83 O +ATOM 2074 CB ARG H 233 22.536 2.386 31.817 1.00 26.80 C +ATOM 2075 CG ARG H 233 21.602 2.102 32.977 1.00 31.43 C +ATOM 2076 CD ARG H 233 22.298 1.106 33.854 1.00 39.44 C +ATOM 2077 NE ARG H 233 23.023 1.841 34.843 1.00 44.21 N +ATOM 2078 CZ ARG H 233 24.240 1.600 35.361 1.00 46.27 C +ATOM 2079 NH1 ARG H 233 25.063 0.637 34.944 1.00 45.00 N +ATOM 2080 NH2 ARG H 233 24.428 2.304 36.492 1.00 46.61 N +ATOM 2081 N LEU H 234 23.073 3.788 29.066 1.00 23.29 N +ATOM 2082 CA LEU H 234 24.046 3.851 27.964 1.00 23.68 C +ATOM 2083 C LEU H 234 24.018 5.171 27.239 1.00 23.98 C +ATOM 2084 O LEU H 234 24.509 5.281 26.110 1.00 26.02 O +ATOM 2085 CB LEU H 234 23.797 2.636 27.041 1.00 24.51 C +ATOM 2086 CG LEU H 234 23.908 1.295 27.764 1.00 25.18 C +ATOM 2087 CD1 LEU H 234 23.276 0.178 26.942 1.00 27.29 C +ATOM 2088 CD2 LEU H 234 25.397 1.026 27.852 1.00 28.04 C +ATOM 2089 N LYS H 235 23.302 6.118 27.762 1.00 25.54 N +ATOM 2090 CA LYS H 235 23.039 7.463 27.216 1.00 27.14 C +ATOM 2091 C LYS H 235 24.346 8.210 26.969 1.00 28.38 C +ATOM 2092 O LYS H 235 24.494 8.948 25.948 1.00 28.59 O +ATOM 2093 CB LYS H 235 22.048 8.129 28.128 1.00 27.97 C +ATOM 2094 CG LYS H 235 21.566 9.565 27.994 1.00 34.05 C +ATOM 2095 CD LYS H 235 21.240 9.920 26.560 1.00 33.87 C +ATOM 2096 CE LYS H 235 20.053 10.843 26.471 1.00 35.56 C +ATOM 2097 NZ LYS H 235 20.077 11.883 27.522 1.00 34.84 N +ATOM 2098 N LYS H 236 25.338 7.972 27.828 1.00 28.43 N +ATOM 2099 CA LYS H 236 26.609 8.661 27.621 1.00 29.39 C +ATOM 2100 C LYS H 236 27.294 8.131 26.381 1.00 28.78 C +ATOM 2101 O LYS H 236 27.843 8.964 25.615 1.00 29.42 O +ATOM 2102 CB LYS H 236 27.488 8.755 28.835 1.00 36.70 C +ATOM 2103 CG LYS H 236 27.062 9.814 29.845 1.00 44.54 C +ATOM 2104 CD LYS H 236 26.357 9.339 31.095 1.00 49.94 C +ATOM 2105 CE LYS H 236 24.954 8.761 30.966 1.00 50.00 C +ATOM 2106 NZ LYS H 236 23.879 9.805 30.971 1.00 50.00 N +ATOM 2107 N TRP H 237 27.279 6.834 26.140 1.00 27.50 N +ATOM 2108 CA TRP H 237 27.853 6.262 24.899 1.00 27.00 C +ATOM 2109 C TRP H 237 27.170 6.860 23.653 1.00 26.78 C +ATOM 2110 O TRP H 237 27.843 7.154 22.643 1.00 27.80 O +ATOM 2111 CB TRP H 237 27.685 4.720 24.902 1.00 25.21 C +ATOM 2112 CG TRP H 237 28.157 4.119 23.614 1.00 25.89 C +ATOM 2113 CD1 TRP H 237 29.444 4.098 23.141 1.00 23.70 C +ATOM 2114 CD2 TRP H 237 27.341 3.601 22.545 1.00 25.64 C +ATOM 2115 NE1 TRP H 237 29.505 3.527 21.904 1.00 25.80 N +ATOM 2116 CE2 TRP H 237 28.230 3.228 21.499 1.00 24.71 C +ATOM 2117 CE3 TRP H 237 25.958 3.475 22.390 1.00 23.90 C +ATOM 2118 CZ2 TRP H 237 27.810 2.721 20.276 1.00 23.56 C +ATOM 2119 CZ3 TRP H 237 25.546 2.987 21.163 1.00 21.47 C +ATOM 2120 CH2 TRP H 237 26.424 2.600 20.159 1.00 23.81 C +ATOM 2121 N ILE H 238 25.843 6.904 23.678 1.00 27.04 N +ATOM 2122 CA ILE H 238 25.022 7.476 22.575 1.00 27.13 C +ATOM 2123 C ILE H 238 25.518 8.870 22.196 1.00 27.57 C +ATOM 2124 O ILE H 238 25.970 9.191 21.090 1.00 27.64 O +ATOM 2125 CB ILE H 238 23.513 7.487 23.012 1.00 23.82 C +ATOM 2126 CG1 ILE H 238 22.933 6.052 22.959 1.00 23.24 C +ATOM 2127 CG2 ILE H 238 22.678 8.459 22.104 1.00 26.70 C +ATOM 2128 CD1 ILE H 238 21.632 5.969 23.762 1.00 24.69 C +ATOM 2129 N GLN H 239 25.455 9.759 23.165 1.00 30.12 N +ATOM 2130 CA GLN H 239 25.921 11.150 23.065 1.00 31.99 C +ATOM 2131 C GLN H 239 27.296 11.275 22.450 1.00 32.31 C +ATOM 2132 O GLN H 239 27.544 12.030 21.522 1.00 32.04 O +ATOM 2133 CB GLN H 239 26.025 11.806 24.444 1.00 35.28 C +ATOM 2134 CG GLN H 239 24.770 12.622 24.647 1.00 42.04 C +ATOM 2135 CD GLN H 239 24.490 12.986 26.084 1.00 46.44 C +ATOM 2136 OE1 GLN H 239 23.428 13.584 26.295 1.00 48.42 O +ATOM 2137 NE2 GLN H 239 25.367 12.702 27.063 1.00 48.82 N +ATOM 2138 N LYS H 240 28.191 10.559 23.100 1.00 33.25 N +ATOM 2139 CA LYS H 240 29.596 10.420 22.676 1.00 33.60 C +ATOM 2140 C LYS H 240 29.731 10.112 21.195 1.00 34.00 C +ATOM 2141 O LYS H 240 30.583 10.732 20.513 1.00 34.53 O +ATOM 2142 CB LYS H 240 30.217 9.269 23.476 1.00 34.31 C +ATOM 2143 CG LYS H 240 31.742 9.249 23.508 1.00 37.90 C +ATOM 2144 N VAL H 241 28.926 9.153 20.709 1.00 33.64 N +ATOM 2145 CA VAL H 241 28.999 8.741 19.324 1.00 33.05 C +ATOM 2146 C VAL H 241 28.359 9.804 18.418 1.00 33.53 C +ATOM 2147 O VAL H 241 28.896 10.054 17.322 1.00 33.11 O +ATOM 2148 CB VAL H 241 28.648 7.315 18.956 1.00 33.29 C +ATOM 2149 CG1 VAL H 241 28.289 6.268 19.969 1.00 33.67 C +ATOM 2150 CG2 VAL H 241 27.639 7.334 17.799 1.00 34.60 C +ATOM 2151 N ILE H 242 27.310 10.456 18.818 1.00 35.14 N +ATOM 2152 CA ILE H 242 26.679 11.539 18.001 1.00 37.27 C +ATOM 2153 C ILE H 242 27.553 12.797 18.055 1.00 39.35 C +ATOM 2154 O ILE H 242 27.797 13.445 17.005 1.00 40.00 O +ATOM 2155 CB ILE H 242 25.194 11.697 18.447 1.00 34.52 C +ATOM 2156 CG1 ILE H 242 24.400 10.420 18.058 1.00 33.64 C +ATOM 2157 CG2 ILE H 242 24.484 12.977 17.951 1.00 32.97 C +ATOM 2158 CD1 ILE H 242 23.062 10.262 18.853 1.00 32.31 C +ATOM 2159 N ASP H 243 28.138 13.146 19.196 1.00 41.05 N +ATOM 2160 CA ASP H 243 29.080 14.267 19.258 1.00 43.27 C +ATOM 2161 C ASP H 243 30.286 13.950 18.365 1.00 44.57 C +ATOM 2162 O ASP H 243 30.659 14.831 17.559 1.00 45.86 O +ATOM 2163 CB ASP H 243 29.624 14.621 20.630 1.00 47.72 C +ATOM 2164 CG ASP H 243 28.530 15.146 21.552 1.00 50.00 C +ATOM 2165 OD1 ASP H 243 27.399 15.313 21.003 1.00 50.00 O +ATOM 2166 OD2 ASP H 243 28.795 15.258 22.776 1.00 50.00 O +ATOM 2167 N GLN H 244 30.861 12.781 18.536 1.00 44.73 N +ATOM 2168 CA GLN H 244 32.085 12.372 17.843 1.00 45.43 C +ATOM 2169 C GLN H 244 31.893 11.457 16.657 1.00 46.22 C +ATOM 2170 O GLN H 244 31.622 11.923 15.525 1.00 46.88 O +TER 2171 GLN H 244 +ATOM 2172 N ASP I 355 5.927 -12.350 2.503 1.00 43.25 N +ATOM 2173 CA ASP I 355 5.591 -11.903 1.133 1.00 41.60 C +ATOM 2174 C ASP I 355 5.597 -10.379 1.037 1.00 40.34 C +ATOM 2175 O ASP I 355 4.603 -9.664 0.921 1.00 40.14 O +ATOM 2176 N PHE I 356 6.791 -9.868 0.966 1.00 39.71 N +ATOM 2177 CA PHE I 356 7.082 -8.454 0.828 1.00 39.82 C +ATOM 2178 C PHE I 356 6.772 -7.973 -0.592 1.00 40.48 C +ATOM 2179 O PHE I 356 7.266 -8.489 -1.617 1.00 40.62 O +ATOM 2180 CB PHE I 356 8.537 -8.206 1.283 1.00 39.04 C +ATOM 2181 CG PHE I 356 8.581 -8.166 2.793 1.00 39.60 C +ATOM 2182 CD1 PHE I 356 8.716 -9.333 3.523 1.00 39.08 C +ATOM 2183 CD2 PHE I 356 8.334 -6.961 3.468 1.00 39.51 C +ATOM 2184 CE1 PHE I 356 8.626 -9.361 4.910 1.00 38.55 C +ATOM 2185 CE2 PHE I 356 8.281 -6.966 4.870 1.00 40.91 C +ATOM 2186 CZ PHE I 356 8.395 -8.175 5.594 1.00 36.84 C +ATOM 2187 N GLU I 357 6.086 -6.846 -0.632 1.00 40.43 N +ATOM 2188 CA GLU I 357 5.814 -6.112 -1.877 1.00 41.12 C +ATOM 2189 C GLU I 357 7.139 -5.467 -2.281 1.00 41.45 C +ATOM 2190 O GLU I 357 7.971 -5.002 -1.496 1.00 41.97 O +ATOM 2191 CB GLU I 357 4.752 -5.053 -1.745 1.00 42.96 C +ATOM 2192 CG GLU I 357 3.774 -4.690 -2.826 1.00 44.81 C +ATOM 2193 CD GLU I 357 3.513 -3.238 -3.102 1.00 46.56 C +ATOM 2194 OE1 GLU I 357 3.364 -2.632 -2.025 1.00 45.88 O +ATOM 2195 OE2 GLU I 357 3.416 -2.667 -4.193 1.00 47.58 O +ATOM 2196 N GLU I 358 7.434 -5.615 -3.547 1.00 41.89 N +ATOM 2197 CA GLU I 358 8.623 -5.111 -4.219 1.00 42.70 C +ATOM 2198 C GLU I 358 8.738 -3.592 -3.978 1.00 42.96 C +ATOM 2199 O GLU I 358 7.803 -2.806 -4.186 1.00 42.67 O +ATOM 2200 N ILE I 359 9.977 -3.259 -3.615 1.00 43.18 N +ATOM 2201 CA ILE I 359 10.346 -1.867 -3.363 1.00 43.32 C +ATOM 2202 C ILE I 359 11.064 -1.324 -4.580 1.00 44.14 C +ATOM 2203 O ILE I 359 11.676 -2.092 -5.332 1.00 44.53 O +ATOM 2204 CB ILE I 359 11.067 -1.723 -1.986 1.00 41.92 C +ATOM 2205 CG1 ILE I 359 12.497 -2.300 -1.998 1.00 41.57 C +ATOM 2206 CG2 ILE I 359 10.222 -2.298 -0.823 1.00 42.21 C +ATOM 2207 CD1 ILE I 359 13.559 -1.163 -2.131 1.00 43.09 C +ATOM 2208 N PRO I 360 10.985 -0.014 -4.775 1.00 45.10 N +ATOM 2209 CA PRO I 360 11.658 0.659 -5.880 1.00 44.86 C +ATOM 2210 C PRO I 360 13.165 0.420 -5.931 1.00 45.08 C +ATOM 2211 O PRO I 360 13.998 0.516 -5.005 1.00 44.61 O +ATOM 2212 CB PRO I 360 11.274 2.123 -5.755 1.00 45.05 C +ATOM 2213 CG PRO I 360 10.338 2.256 -4.597 1.00 45.46 C +ATOM 2214 CD PRO I 360 10.204 0.915 -3.936 1.00 44.98 C +ATOM 2215 N GLU I 361 13.537 0.175 -7.196 1.00 44.77 N +ATOM 2216 CA GLU I 361 14.921 -0.125 -7.592 1.00 44.32 C +ATOM 2217 C GLU I 361 15.814 1.037 -7.161 1.00 43.90 C +ATOM 2218 O GLU I 361 16.963 0.824 -6.758 1.00 43.26 O +ATOM 2219 CB GLU I 361 14.914 -0.432 -9.091 1.00 45.26 C +ATOM 2220 N GLU I 362 15.227 2.220 -7.265 1.00 43.67 N +ATOM 2221 CA GLU I 362 15.848 3.489 -6.866 1.00 44.27 C +ATOM 2222 C GLU I 362 16.526 3.246 -5.518 1.00 45.26 C +ATOM 2223 O GLU I 362 17.547 3.893 -5.212 1.00 46.91 O +ATOM 2224 CB GLU I 362 14.847 4.613 -6.620 1.00 42.51 C +HETATM 2225 N TYS I 363 15.901 2.361 -4.748 1.00 44.75 N +HETATM 2226 CA TYS I 363 16.482 2.005 -3.448 1.00 44.52 C +HETATM 2227 CB TYS I 363 15.434 1.805 -2.340 1.00 42.26 C +HETATM 2228 CG TYS I 363 14.580 3.049 -2.234 1.00 39.78 C +HETATM 2229 CD1 TYS I 363 15.156 4.304 -2.015 1.00 37.81 C +HETATM 2230 CD2 TYS I 363 13.219 2.924 -2.545 1.00 40.71 C +HETATM 2231 CE1 TYS I 363 14.343 5.432 -2.005 1.00 38.74 C +HETATM 2232 CE2 TYS I 363 12.411 4.063 -2.563 1.00 40.45 C +HETATM 2233 CZ TYS I 363 12.986 5.299 -2.287 1.00 39.69 C +HETATM 2234 OH TYS I 363 12.107 6.361 -2.265 1.00 42.68 O +HETATM 2235 S TYS I 363 11.153 6.571 -0.919 1.00 44.01 S +HETATM 2236 O1 TYS I 363 10.528 5.299 -0.666 1.00 41.40 O +HETATM 2237 O2 TYS I 363 12.111 7.170 -0.043 1.00 42.83 O +HETATM 2238 O3 TYS I 363 10.170 7.609 -1.318 1.00 44.90 O +HETATM 2239 C TYS I 363 17.330 0.734 -3.630 1.00 44.39 C +HETATM 2240 O TYS I 363 18.126 0.587 -2.682 1.00 44.82 O +TER 2241 TYS I 363 +HETATM 2242 NA NA H 541 5.845 -14.122 30.560 0.88 23.48 NA +HETATM 2243 NA NA H 542 18.411 -16.475 38.464 0.88 24.77 NA +HETATM 2244 C1 ANS H 373 17.735 -17.178 22.612 1.00 26.29 C +HETATM 2245 C2 ANS H 373 18.543 -17.350 21.462 1.00 26.22 C +HETATM 2246 C3 ANS H 373 19.877 -17.046 21.558 1.00 26.06 C +HETATM 2247 C4 ANS H 373 20.401 -16.566 22.766 1.00 26.60 C +HETATM 2248 C4A ANS H 373 19.613 -16.358 23.893 1.00 27.46 C +HETATM 2249 C5 ANS H 373 20.084 -15.791 25.046 1.00 28.32 C +HETATM 2250 C6 ANS H 373 19.241 -15.568 26.114 1.00 27.47 C +HETATM 2251 C7 ANS H 373 17.893 -15.971 26.028 1.00 27.79 C +HETATM 2252 C8 ANS H 373 17.370 -16.510 24.879 1.00 26.51 C +HETATM 2253 C8A ANS H 373 18.205 -16.689 23.809 1.00 26.70 C +HETATM 2254 N ANS H 373 21.383 -15.285 25.104 1.00 29.72 N +HETATM 2255 CM1 ANS H 373 21.898 -14.217 24.214 1.00 30.75 C +HETATM 2256 CM2 ANS H 373 22.635 -16.213 25.496 1.00 31.28 C +HETATM 2257 S ANS H 373 15.909 -17.581 22.417 1.00 26.82 S +HETATM 2258 O1S ANS H 373 15.988 -18.013 21.010 1.00 27.08 O +HETATM 2259 O2S ANS H 373 14.998 -18.191 23.402 1.00 25.52 O +HETATM 2260 N DAR H 350 14.893 -15.970 22.485 1.00 26.45 N +HETATM 2261 CA DAR H 350 15.193 -15.114 21.296 1.00 26.19 C +HETATM 2262 CB DAR H 350 13.942 -14.354 20.879 1.00 23.76 C +HETATM 2263 CG DAR H 350 13.232 -13.686 22.058 1.00 25.01 C +HETATM 2264 CD DAR H 350 11.892 -13.133 21.595 1.00 23.01 C +HETATM 2265 NE DAR H 350 11.218 -12.647 22.780 1.00 21.45 N +HETATM 2266 CZ DAR H 350 11.457 -11.554 23.483 1.00 20.16 C +HETATM 2267 NH1 DAR H 350 12.359 -10.674 23.045 1.00 20.04 N +HETATM 2268 NH2 DAR H 350 10.723 -11.336 24.566 1.00 20.85 N +HETATM 2269 C DAR H 350 16.307 -14.167 21.752 1.00 26.27 C +HETATM 2270 O DAR H 350 16.212 -13.781 22.914 1.00 24.70 O +HETATM 2271 N1 2EP H 375 17.280 -13.692 20.830 1.00 27.91 N +HETATM 2272 C2 2EP H 375 17.043 -14.033 19.327 1.00 30.31 C +HETATM 2273 C3 2EP H 375 18.421 -14.472 18.809 1.00 29.73 C +HETATM 2274 C4 2EP H 375 19.610 -13.417 19.194 1.00 29.33 C +HETATM 2275 C5 2EP H 375 19.696 -13.083 20.765 1.00 28.57 C +HETATM 2276 C6 2EP H 375 18.351 -12.680 21.310 1.00 28.50 C +HETATM 2277 C1' 2EP H 375 16.593 -13.014 18.550 1.00 33.08 C +HETATM 2278 C2' 2EP H 375 15.941 -13.425 17.179 1.00 37.01 C +HETATM 2279 S1 KTH H 377 15.783 -14.904 14.458 1.00 43.62 S +HETATM 2280 O2 KTH H 377 17.488 -11.922 16.287 1.00 41.38 O +HETATM 2281 C5 KTH H 377 17.059 -15.583 13.508 1.00 43.74 C +HETATM 2282 C2 KTH H 377 16.864 -13.556 14.739 1.00 42.63 C +HETATM 2283 C2' KTH H 377 16.825 -12.903 16.107 1.00 40.59 C +HETATM 2284 C4 KTH H 377 18.146 -14.734 13.451 1.00 43.96 C +HETATM 2285 N3 KTH H 377 18.049 -13.554 14.106 1.00 43.46 N +HETATM 2286 O HOH L 382 -2.186 12.007 23.167 0.90 17.26 O +HETATM 2287 O HOH L 391 -6.499 6.251 26.260 0.86 24.38 O +HETATM 2288 O HOH L 408 -2.832 0.680 34.246 0.94 22.88 O +HETATM 2289 O HOH L 415 -0.735 17.659 13.256 0.76 29.50 O +HETATM 2290 O HOH L 462 -5.346 10.830 15.123 0.84 22.60 O +HETATM 2291 O HOH L 473 -7.752 10.467 18.879 0.76 33.07 O +HETATM 2292 O HOH L 477 -9.147 11.575 21.805 0.68 32.97 O +HETATM 2293 O HOH L 499 13.747 17.928 20.285 0.79 31.55 O +HETATM 2294 O HOH L 502 -6.368 12.885 13.346 0.66 31.96 O +HETATM 2295 O HOH L 505 -2.657 14.587 24.146 0.67 34.53 O +HETATM 2296 O HOH L 522 10.181 19.049 14.680 0.84 34.64 O +HETATM 2297 O HOH L 538 2.002 20.039 21.193 0.68 36.00 O +HETATM 2298 O HOH L 540 -2.339 21.587 16.215 0.55 35.61 O +HETATM 2299 O HOH H 380 1.813 10.969 14.408 0.94 20.02 O +HETATM 2300 O HOH H 381 16.385 3.824 30.360 0.95 13.91 O +HETATM 2301 O HOH H 383 3.814 -7.977 16.028 0.86 18.54 O +HETATM 2302 O HOH H 384 1.093 2.746 12.499 0.87 25.44 O +HETATM 2303 O HOH H 385 14.939 1.085 19.284 0.93 13.44 O +HETATM 2304 O HOH H 386 8.362 -8.386 27.504 0.96 14.38 O +HETATM 2305 O HOH H 387 8.401 2.254 9.841 0.92 16.62 O +HETATM 2306 O HOH H 389 10.023 -3.869 16.939 0.92 13.76 O +HETATM 2307 O HOH H 390 9.616 -5.258 14.317 0.88 13.63 O +HETATM 2308 O HOH H 392 20.594 -6.523 27.140 0.88 21.14 O +HETATM 2309 O HOH H 393 7.650 -4.255 0.933 0.93 21.25 O +HETATM 2310 O HOH H 394 21.881 -4.320 27.824 0.90 21.37 O +HETATM 2311 O HOH H 395 12.132 -8.387 25.245 0.98 17.25 O +HETATM 2312 O HOH H 396 3.090 4.988 21.070 0.98 20.42 O +HETATM 2313 O HOH H 397 5.777 10.505 5.262 0.93 20.70 O +HETATM 2314 O HOH H 398 16.303 16.088 14.395 0.79 28.25 O +HETATM 2315 O HOH H 399 -2.351 -7.412 11.758 0.84 29.96 O +HETATM 2316 O HOH H 400 12.925 -14.576 32.221 0.93 19.89 O +HETATM 2317 O HOH H 401 15.812 -6.714 35.759 0.84 32.50 O +HETATM 2318 O HOH H 402 15.205 12.447 20.261 0.90 25.06 O +HETATM 2319 O HOH H 403 4.529 -14.608 33.114 0.97 20.98 O +HETATM 2320 O HOH H 404 25.181 -15.834 23.184 0.92 26.81 O +HETATM 2321 O HOH H 405 0.074 -13.559 33.119 0.90 27.79 O +HETATM 2322 O HOH H 406 4.211 -7.518 36.488 0.87 23.37 O +HETATM 2323 O HOH H 407 3.187 7.670 -6.324 0.80 23.95 O +HETATM 2324 O HOH H 409 14.544 -10.660 20.770 0.91 22.30 O +HETATM 2325 O HOH H 410 8.914 -15.553 27.347 0.94 23.52 O +HETATM 2326 O HOH H 411 0.689 -10.424 6.785 0.68 36.20 O +HETATM 2327 O HOH H 412 21.620 -12.234 37.726 0.85 25.31 O +HETATM 2328 O HOH H 413 15.367 -10.611 14.133 0.90 26.14 O +HETATM 2329 O HOH H 414 7.623 5.524 11.550 0.88 20.63 O +HETATM 2330 O HOH H 416 -1.607 -4.544 29.147 0.75 32.72 O +HETATM 2331 O HOH H 417 24.945 -15.533 32.068 0.82 27.47 O +HETATM 2332 O HOH H 418 14.160 -10.783 16.489 0.82 30.17 O +HETATM 2333 O HOH H 420 -4.575 8.264 13.761 0.85 25.62 O +HETATM 2334 O HOH H 421 -6.064 4.365 12.894 0.74 27.63 O +HETATM 2335 O HOH H 422 19.857 0.208 36.472 0.70 34.94 O +HETATM 2336 O HOH H 423 3.131 16.501 10.377 0.66 33.10 O +HETATM 2337 O HOH H 424 32.607 -7.961 10.226 0.78 32.76 O +HETATM 2338 O HOH H 425 26.817 5.390 28.841 0.74 31.70 O +HETATM 2339 O HOH H 426 6.669 1.429 21.293 0.95 18.31 O +HETATM 2340 O HOH H 427 1.063 -7.061 5.588 0.72 34.75 O +HETATM 2341 O HOH H 428 -0.949 -18.241 33.801 0.64 36.40 O +HETATM 2342 O HOH H 429 2.796 4.090 13.967 0.93 20.86 O +HETATM 2343 O HOH H 430 29.999 -16.412 13.515 0.68 33.87 O +HETATM 2344 O HOH H 431 5.409 3.833 11.980 0.85 18.73 O +HETATM 2345 O HOH H 432 7.370 7.389 -0.375 0.82 27.42 O +HETATM 2346 O HOH H 434 27.903 -6.211 12.365 0.84 31.83 O +HETATM 2347 O HOH H 436 1.996 -15.245 32.139 0.93 27.12 O +HETATM 2348 O HOH H 438 6.265 -10.722 28.912 0.94 20.72 O +HETATM 2349 O HOH H 439 16.113 13.324 22.882 0.88 22.43 O +HETATM 2350 O HOH H 440 24.651 -17.148 29.004 0.64 39.96 O +HETATM 2351 O HOH H 441 28.911 12.251 13.580 0.87 32.05 O +HETATM 2352 O HOH H 442 5.559 3.579 20.467 0.90 22.54 O +HETATM 2353 O HOH H 443 1.815 5.253 8.116 0.87 20.87 O +HETATM 2354 O HOH H 444 21.422 -5.982 37.960 0.82 26.02 O +HETATM 2355 O HOH H 445 29.292 -7.973 30.599 0.81 29.45 O +HETATM 2356 O HOH H 446 -7.715 7.082 19.406 0.82 27.11 O +HETATM 2357 O HOH H 447 14.062 -11.105 -1.969 0.67 34.94 O +HETATM 2358 O HOH H 448 15.277 -19.664 25.648 0.65 37.50 O +HETATM 2359 O HOH H 449 -0.853 1.030 4.269 0.70 27.95 O +HETATM 2360 O HOH H 450 32.888 -10.346 14.131 0.82 35.98 O +HETATM 2361 O HOH H 451 0.950 10.152 1.699 0.73 37.79 O +HETATM 2362 O HOH H 452 19.166 7.145 1.282 0.62 30.72 O +HETATM 2363 O HOH H 453 17.180 9.503 4.255 0.66 31.93 O +HETATM 2364 O HOH H 454 3.642 6.483 11.661 0.92 19.48 O +HETATM 2365 O HOH H 455 24.301 1.596 2.325 0.70 35.33 O +HETATM 2366 O HOH H 457 7.596 -10.828 8.942 0.80 31.14 O +HETATM 2367 O HOH H 458 10.899 -14.831 39.191 0.83 23.63 O +HETATM 2368 O HOH H 459 22.571 -13.676 8.906 0.73 34.74 O +HETATM 2369 O HOH H 460 5.936 -11.920 31.531 0.88 20.50 O +HETATM 2370 O HOH H 461 5.340 -5.328 37.799 0.94 25.05 O +HETATM 2371 O HOH H 463 -2.383 -10.736 18.729 0.80 28.69 O +HETATM 2372 O HOH H 464 3.664 -13.838 29.679 0.89 22.25 O +HETATM 2373 O HOH H 465 17.256 -19.618 32.257 0.80 24.79 O +HETATM 2374 O HOH H 466 6.501 15.500 12.333 0.86 21.77 O +HETATM 2375 O HOH H 467 20.123 -18.121 38.688 0.88 24.92 O +HETATM 2376 O HOH H 468 13.249 -4.700 35.811 0.85 26.09 O +HETATM 2377 O HOH H 469 6.391 19.482 26.474 0.78 27.79 O +HETATM 2378 O HOH H 470 -3.777 -10.485 27.771 0.83 30.96 O +HETATM 2379 O HOH H 471 10.193 -13.387 26.529 0.85 26.96 O +HETATM 2380 O HOH H 472 4.857 20.515 24.462 0.63 35.16 O +HETATM 2381 O HOH H 474 31.836 9.263 14.470 0.74 36.70 O +HETATM 2382 O HOH H 475 5.370 -19.740 24.501 0.77 29.99 O +HETATM 2383 O HOH H 478 1.589 5.204 10.753 0.83 24.27 O +HETATM 2384 O HOH H 479 -3.518 15.224 9.901 0.69 37.14 O +HETATM 2385 O HOH H 480 31.959 3.699 20.190 0.67 34.44 O +HETATM 2386 O HOH H 481 14.716 -2.310 36.800 0.73 30.39 O +HETATM 2387 O HOH H 482 -2.907 -3.597 22.983 0.72 32.83 O +HETATM 2388 O HOH H 484 19.505 13.761 24.244 0.65 36.65 O +HETATM 2389 O HOH H 485 14.623 16.232 8.745 0.68 36.32 O +HETATM 2390 O HOH H 486 3.387 11.876 3.915 0.67 33.95 O +HETATM 2391 O HOH H 487 14.677 16.851 34.263 0.78 36.21 O +HETATM 2392 O HOH H 488 -1.633 -4.110 25.675 0.76 28.36 O +HETATM 2393 O HOH H 489 22.492 -19.194 37.077 0.75 34.87 O +HETATM 2394 O HOH H 490 3.114 -10.859 29.999 0.85 20.94 O +HETATM 2395 O HOH H 491 30.955 -0.799 15.385 0.67 29.37 O +HETATM 2396 O HOH H 492 14.544 16.387 17.240 0.81 33.68 O +HETATM 2397 O HOH H 493 30.946 -13.280 29.808 0.77 32.40 O +HETATM 2398 O HOH H 494 0.858 -2.123 36.544 0.75 32.41 O +HETATM 2399 O HOH H 495 11.872 -19.085 38.908 0.64 33.49 O +HETATM 2400 O HOH H 496 11.256 -0.334 41.111 0.64 32.86 O +HETATM 2401 O HOH H 497 6.630 -13.314 28.665 0.79 26.15 O +HETATM 2402 O HOH H 498 6.971 -14.847 38.245 0.81 29.40 O +HETATM 2403 O HOH H 500 9.471 14.045 32.146 0.75 28.72 O +HETATM 2404 O HOH H 501 28.642 2.886 28.015 0.69 28.92 O +HETATM 2405 O HOH H 503 25.817 -11.568 39.190 0.74 32.96 O +HETATM 2406 O HOH H 506 3.607 -17.230 22.507 0.73 32.98 O +HETATM 2407 O HOH H 507 -0.663 4.541 6.295 1.00 24.17 O +HETATM 2408 O HOH H 508 24.714 -11.941 8.382 0.70 30.24 O +HETATM 2409 O HOH H 509 -0.350 -9.147 18.833 0.83 25.18 O +HETATM 2410 O HOH H 510 16.970 -11.972 43.163 0.68 31.98 O +HETATM 2411 O HOH H 511 -5.488 0.294 12.786 0.72 31.61 O +HETATM 2412 O HOH H 512 20.354 13.385 32.573 0.78 27.89 O +HETATM 2413 O HOH H 513 26.864 -20.659 13.622 0.83 28.13 O +HETATM 2414 O HOH H 514 7.226 -10.990 11.150 0.81 27.39 O +HETATM 2415 O HOH H 515 19.942 -14.579 37.013 0.86 26.54 O +HETATM 2416 O HOH H 516 -6.376 6.686 15.420 0.69 34.01 O +HETATM 2417 O HOH H 517 0.178 14.623 33.848 0.75 31.63 O +HETATM 2418 O HOH H 518 18.542 -15.573 40.829 0.68 27.94 O +HETATM 2419 O HOH H 519 26.740 -8.931 36.434 0.70 30.49 O +HETATM 2420 O HOH H 520 -6.460 -5.537 17.066 0.64 32.12 O +HETATM 2421 O HOH H 521 27.922 -4.921 33.042 0.64 25.94 O +HETATM 2422 O HOH H 523 2.630 14.339 6.548 0.58 32.73 O +HETATM 2423 O HOH H 524 24.336 14.702 14.426 0.70 34.63 O +HETATM 2424 O HOH H 525 11.647 -13.025 43.134 0.71 31.92 O +HETATM 2425 O HOH H 526 7.115 8.602 39.737 0.65 37.74 O +HETATM 2426 O HOH H 527 25.865 3.874 33.265 0.75 34.33 O +HETATM 2427 O HOH H 528 15.344 14.431 25.091 0.70 35.78 O +HETATM 2428 O HOH H 529 6.543 -14.164 40.573 0.65 36.55 O +HETATM 2429 O HOH H 530 25.575 -4.781 36.429 0.72 30.08 O +HETATM 2430 O HOH H 532 14.122 -13.457 12.458 0.64 35.74 O +HETATM 2431 O HOH H 533 24.351 5.437 34.700 0.64 36.55 O +HETATM 2432 O HOH H 534 -0.686 -13.240 19.682 0.86 28.78 O +HETATM 2433 O HOH H 535 -1.206 -4.591 5.649 0.78 28.79 O +HETATM 2434 O HOH H 536 13.206 -14.279 29.407 0.71 30.80 O +HETATM 2435 O HOH H 537 -2.598 4.392 5.799 0.75 31.14 O +HETATM 2436 O HOH H 539 -3.831 -8.311 16.748 0.54 35.52 O +HETATM 2437 O HOH I 419 6.088 -6.742 -5.945 0.69 36.27 O +HETATM 2438 O HOH I 435 19.465 -0.591 -4.485 0.86 32.34 O +HETATM 2439 O HOH I 476 17.363 -2.130 -4.218 0.81 33.83 O +HETATM 2440 O HOH I 483 3.412 -7.820 -4.837 0.71 33.73 O +HETATM 2441 O HOH I 504 2.248 -0.438 -3.180 0.72 30.61 O +HETATM 2442 O HOH I 531 18.375 0.274 -9.656 0.67 37.49 O +CONECT 14 1168 +CONECT 423 541 +CONECT 541 423 +CONECT 1168 14 +CONECT 1509 1625 +CONECT 1513 2243 +CONECT 1536 2243 +CONECT 1625 1509 +CONECT 1722 1955 +CONECT 1955 1722 +CONECT 1967 2242 +CONECT 1990 2242 +CONECT 2222 2225 +CONECT 2225 2222 2226 +CONECT 2226 2225 2227 2239 +CONECT 2227 2226 2228 +CONECT 2228 2227 2229 2230 +CONECT 2229 2228 2231 +CONECT 2230 2228 2232 +CONECT 2231 2229 2233 +CONECT 2232 2230 2233 +CONECT 2233 2231 2232 2234 +CONECT 2234 2233 2235 +CONECT 2235 2234 2236 2237 2238 +CONECT 2236 2235 +CONECT 2237 2235 +CONECT 2238 2235 +CONECT 2239 2226 2240 +CONECT 2240 2239 +CONECT 2242 1967 1990 2319 2369 +CONECT 2242 2372 2401 +CONECT 2243 1513 1536 2375 2415 +CONECT 2243 2418 +CONECT 2244 2245 2253 2257 +CONECT 2245 2244 2246 +CONECT 2246 2245 2247 +CONECT 2247 2246 2248 +CONECT 2248 2247 2249 2253 +CONECT 2249 2248 2250 2254 +CONECT 2250 2249 2251 +CONECT 2251 2250 2252 +CONECT 2252 2251 2253 +CONECT 2253 2244 2248 2252 +CONECT 2254 2249 2255 2256 +CONECT 2255 2254 +CONECT 2256 2254 +CONECT 2257 2244 2258 2259 2260 +CONECT 2258 2257 +CONECT 2259 2257 +CONECT 2260 2257 2261 +CONECT 2261 2260 2262 2269 +CONECT 2262 2261 2263 +CONECT 2263 2262 2264 +CONECT 2264 2263 2265 +CONECT 2265 2264 2266 +CONECT 2266 2265 2267 2268 +CONECT 2267 2266 +CONECT 2268 2266 +CONECT 2269 2261 2270 2271 +CONECT 2270 2269 +CONECT 2271 2269 2272 2276 +CONECT 2272 2271 2273 2277 +CONECT 2273 2272 2274 +CONECT 2274 2273 2275 +CONECT 2275 2274 2276 +CONECT 2276 2271 2275 +CONECT 2277 2272 2278 +CONECT 2278 2277 2283 +CONECT 2279 2281 2282 +CONECT 2280 2283 +CONECT 2281 2279 2284 +CONECT 2282 2279 2283 2285 +CONECT 2283 2278 2280 2282 +CONECT 2284 2281 2285 +CONECT 2285 2282 2284 +CONECT 2319 2242 +CONECT 2369 2242 +CONECT 2372 2242 +CONECT 2375 2243 +CONECT 2401 2242 +CONECT 2415 2243 +CONECT 2418 2243 +MASTER 471 0 7 4 14 0 12 6 2439 3 82 24 +END diff --git a/biojava-structure/src/test/resources/1fdo.bcif b/biojava-structure/src/test/resources/1fdo.bcif new file mode 100644 index 0000000000000000000000000000000000000000..366f252d305e51c205a39f70c0bc38e4935aaf81 GIT binary patch literal 245648 zcmeEv31Az=x$vISO0pf3gp?aWX@L@l$j;dos3OU>h%Gsi?O=GIDz=iS*p@5HA%V6~ z+R}?2@OsjdD>n&8XrVw`3O#5^U*GE)O8a`f0&RaN4*Av(-#8;$pOqv>D^?O3$v4LnJ)E^sOABzuB+yJl`V>1*M~+1)@@z{ zwNwGJ8YUr&AYr$R1cmK%c=#M4>dw~a=Ey)-EIORnx<1^Wh{gBwFH+i`V?g-*!bS9R zNu+0uNl#k9Dzqlx-zS3)A`(u3*y!M&KC2&CwlR?ydHcl|%k*3X^js8+Z@3s&3e|8vva{6e(Vh?F_yZ^wibpn4F8Kn%)ZN2lLpuBz^#km*lmUM%Wxz8mOH@CB2tzYf zk{N+Ky{@YO$eJ$nyN;DBmp3h5(bT-SdGX?vO^chGnwOBf7PzapbO^>sRXbOKv0AM} zKJ+NQ52H9ldie05j{Lj?yX&TfCF z%kT5Jx+|_IiuZb=U{Z0KXIN|-h$O<%!C9jKX1CVW%j3iHz$zz{qz9zJ_<6$iyU1G@ 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z|GZz=cRnKFUA}m})8#k2ckiF}=Ot&ab!_`_7T@N;^1Ykc7hP}tzPLmB;1A1R;J-i2 zs0Ye*w5_nFqt16@X#*>)nVg?hm|IeBR1?bB1frUT_#iH%Up0&k#{^BrJeG(hNGO{W zw4f1%W)ZBsK}9hm@87v~5Y^`EmLXQD5rKr_Z6E?^MBZBQ1;-dh$z0sYoKU2v)%8)n z8rG>fu8Y#V0*4^E{F{NpF0S9PnlpBFUdiynlDr9pxjFR-p6+@$CeLnz*B*ap5Txu) zBC9r)X;x8z&g4K;5PA}UX-3V((4M4o9BL?3o$h{@<402#LOJ{d^I?NN&#uElnS#RG z1*IWNE1WQ6W)qOr8G{oNGrfc22d6Xx(`v2JW!M8N0x+gR8Q;3;%S&V$pS+m?0LVvI zIH~Wusv!O2j!Piw&0PdV0u5PdqVYwd4w!8svFDM&>8UB*GlnM*9G>3Zn>-xzqtaud zef_MyB VY{(?Ne}c`;_j5TLRV@R+|1Us;qBZ~k literal 0 HcmV?d00001 diff --git a/biojava-structure/src/test/resources/1fdo.cif b/biojava-structure/src/test/resources/1fdo.cif new file mode 100644 index 0000000000..482ec6555a --- /dev/null +++ b/biojava-structure/src/test/resources/1fdo.cif @@ -0,0 +1,8396 @@ +data_1FDO +# +_entry.id 1FDO +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 1.0670 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +_database_2.database_id PDB +_database_2.database_code 1FDO +# +loop_ +_database_PDB_rev.num +_database_PDB_rev.date +_database_PDB_rev.date_original +_database_PDB_rev.status +_database_PDB_rev.replaces +_database_PDB_rev.mod_type +1 1997-08-20 1997-01-27 ? 1FDO 0 +2 2009-02-24 ? ? 1FDO 1 +3 2009-03-24 ? ? 1FDO 1 +# +loop_ +_database_PDB_rev_record.rev_num +_database_PDB_rev_record.type +_database_PDB_rev_record.details +2 VERSN ? +3 ATOM ? +3 CONECT ? +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1FDO +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site ? +_pdbx_database_status.SG_entry ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Sun, P.D.' 1 +'Boyington, J.C.' 2 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary +'Crystal structure of formate dehydrogenase H: catalysis involving Mo, molybdopterin, selenocysteine, and an Fe4S4 cluster.' +Science 275 1305 1308 1997 SCIEAS US 0036-8075 0038 ? 9036855 10.1126/science.275.5304.1305 +1 +;Characterization of Crystalline Formate Dehydrogenase H from Escherichia Coli. Stabilization, Epr Spectroscopy, and Preliminary Crystallographic Analysis +; +J.Biol.Chem. 271 8095 ? 1996 JBCHA3 US 0021-9258 0071 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Boyington, J.C.' 1 +primary 'Gladyshev, V.N.' 2 +primary 'Khangulov, S.V.' 3 +primary 'Stadtman, T.C.' 4 +primary 'Sun, P.D.' 5 +1 'Gladyshev, V.N.' 6 +1 'Boyington, J.C.' 7 +1 'Khangulov, S.V.' 8 +1 'Grahame, D.A.' 9 +1 'Stadtman, T.C.' 10 +1 'Sun, P.D.' 11 +# +_cell.entry_id 1FDO +_cell.length_a 146.600 +_cell.length_b 146.600 +_cell.length_c 81.100 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 8 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1FDO +_symmetry.space_group_name_H-M 'P 41 21 2' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.details +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +1 polymer man 'FORMATE DEHYDROGENASE H' +79466.344 1 'OXIDIZED FORM (MO(VI),FE4S4(OX)) OF FDH-H' ? ? 1.2.1.2 +2 non-polymer syn 'IRON/SULFUR CLUSTER' +351.628 1 ? ? ? ? +3 non-polymer syn +'2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE' 740.552 2 +? ? ? ? +4 non-polymer syn 'MOLYBDENUM(VI) ION' +95.940 1 ? ? ? ? +5 water nat water +18.015 64 ? ? ? ? +# +loop_ +_entity_keywords.entity_id +_entity_keywords.text +1 ? +2 ? +3 ? +4 ? +5 ? +# +loop_ +_entity_name_com.entity_id +_entity_name_com.name +1 FDH-H +2 ? +3 ? +4 ? +5 ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer yes +_entity_poly.pdbx_seq_one_letter_code +;MKKVVTVCPYCASGCKINLVVDNGKIVRAEAAQGKTNQGTLCLKGYYGWDFINDTQILTPRLKTPMIRRQRGGKLEPVSW +DEALNYVAERLSAIKEKYGPDAIQTTGSSRGTGNETNYVMQKFARAVIGTNNVDCCARV(CSE)HGPSVAGLHQSVGNGA +MSNAINEIDNTDLVFVFGYNPADSHPIVANHVINAKRNGAKIIVCDPRKIETARIADMHIALKNGSNIALLNAMGHVIIE +ENLYDKAFVASRTEGFEEYRKIVEGYTPESVEDITGVSASEIRQAARMYAQAKSAAILWGMGVTQFYQGVETVRSLTSLA +MLTGNLGKPHAGVNPVRGQNNVQGACDMGALPDTYPGYQYVKDPANREKFAKAWGVESLPAHTGYRISELPHRAAHGEVR +AAYIMGEDPLQTDAELSAVRKAFEDLELVIVQDIFMTKTASAADVILPSTSWGEHEGVFTAADRGFQRFFKAVEPKWDLK +TDWQIISEIATRMGYPMHYNNTQEIWDELRHLCPDFYGATYEKMGELGFIQWPCRDTSDADQGTSYLFKEKFDTPNGLAQ +FFTCDWVAPIDKLTDEYPMVLSTVREVGHYSCRSMTGNCAALAALADEPGYAQINTEDAKRLGIEDEALVWVHSRKGKII +TRAQVSDRPNKGAIYMTYQWWIGACNELVTENLSPITKTPEYKYCAVRVEPIADQRAAEQYVIDEYNKLKTRLREAALA +; +_entity_poly.pdbx_seq_one_letter_code_can +;MKKVVTVCPYCASGCKINLVVDNGKIVRAEAAQGKTNQGTLCLKGYYGWDFINDTQILTPRLKTPMIRRQRGGKLEPVSW +DEALNYVAERLSAIKEKYGPDAIQTTGSSRGTGNETNYVMQKFARAVIGTNNVDCCARVCHGPSVAGLHQSVGNGAMSNA +INEIDNTDLVFVFGYNPADSHPIVANHVINAKRNGAKIIVCDPRKIETARIADMHIALKNGSNIALLNAMGHVIIEENLY +DKAFVASRTEGFEEYRKIVEGYTPESVEDITGVSASEIRQAARMYAQAKSAAILWGMGVTQFYQGVETVRSLTSLAMLTG +NLGKPHAGVNPVRGQNNVQGACDMGALPDTYPGYQYVKDPANREKFAKAWGVESLPAHTGYRISELPHRAAHGEVRAAYI +MGEDPLQTDAELSAVRKAFEDLELVIVQDIFMTKTASAADVILPSTSWGEHEGVFTAADRGFQRFFKAVEPKWDLKTDWQ +IISEIATRMGYPMHYNNTQEIWDELRHLCPDFYGATYEKMGELGFIQWPCRDTSDADQGTSYLFKEKFDTPNGLAQFFTC +DWVAPIDKLTDEYPMVLSTVREVGHYSCRSMTGNCAALAALADEPGYAQINTEDAKRLGIEDEALVWVHSRKGKIITRAQ +VSDRPNKGAIYMTYQWWIGACNELVTENLSPITKTPEYKYCAVRVEPIADQRAAEQYVIDEYNKLKTRLREAALA +; +_entity_poly.pdbx_strand_id A +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 MET n +1 2 LYS n +1 3 LYS n +1 4 VAL n +1 5 VAL n +1 6 THR n +1 7 VAL n +1 8 CYS n +1 9 PRO n +1 10 TYR n +1 11 CYS n +1 12 ALA n +1 13 SER n +1 14 GLY n +1 15 CYS n +1 16 LYS n +1 17 ILE n +1 18 ASN n +1 19 LEU n +1 20 VAL n +1 21 VAL n +1 22 ASP n +1 23 ASN n +1 24 GLY n +1 25 LYS n +1 26 ILE n +1 27 VAL n +1 28 ARG n +1 29 ALA n +1 30 GLU n +1 31 ALA n +1 32 ALA n +1 33 GLN n +1 34 GLY n +1 35 LYS n +1 36 THR n +1 37 ASN n +1 38 GLN n +1 39 GLY n +1 40 THR n +1 41 LEU n +1 42 CYS n +1 43 LEU n +1 44 LYS n +1 45 GLY n +1 46 TYR n +1 47 TYR n +1 48 GLY n +1 49 TRP n +1 50 ASP n +1 51 PHE n +1 52 ILE n +1 53 ASN n +1 54 ASP n +1 55 THR n +1 56 GLN n +1 57 ILE n +1 58 LEU n +1 59 THR n +1 60 PRO n +1 61 ARG n +1 62 LEU n +1 63 LYS n +1 64 THR n +1 65 PRO n +1 66 MET n +1 67 ILE n +1 68 ARG n +1 69 ARG n +1 70 GLN n +1 71 ARG n +1 72 GLY n +1 73 GLY n +1 74 LYS n +1 75 LEU n +1 76 GLU n +1 77 PRO n +1 78 VAL n +1 79 SER n +1 80 TRP n +1 81 ASP n +1 82 GLU n +1 83 ALA n +1 84 LEU n +1 85 ASN n +1 86 TYR n +1 87 VAL n +1 88 ALA n +1 89 GLU n +1 90 ARG n +1 91 LEU n +1 92 SER n +1 93 ALA n +1 94 ILE n +1 95 LYS n +1 96 GLU n +1 97 LYS n +1 98 TYR n +1 99 GLY n +1 100 PRO n +1 101 ASP n +1 102 ALA n +1 103 ILE n +1 104 GLN n +1 105 THR n +1 106 THR n +1 107 GLY n +1 108 SER n +1 109 SER n +1 110 ARG n +1 111 GLY n +1 112 THR n +1 113 GLY n +1 114 ASN n +1 115 GLU n +1 116 THR n +1 117 ASN n +1 118 TYR n +1 119 VAL n +1 120 MET n +1 121 GLN n +1 122 LYS n +1 123 PHE n +1 124 ALA n +1 125 ARG n +1 126 ALA n +1 127 VAL n +1 128 ILE n +1 129 GLY n +1 130 THR n +1 131 ASN n +1 132 ASN n +1 133 VAL n +1 134 ASP n +1 135 CYS n +1 136 CYS n +1 137 ALA n +1 138 ARG n +1 139 VAL n +1 140 CSE n +1 141 HIS n +1 142 GLY n +1 143 PRO n +1 144 SER n +1 145 VAL n +1 146 ALA n +1 147 GLY n +1 148 LEU n +1 149 HIS n +1 150 GLN n +1 151 SER n +1 152 VAL n +1 153 GLY n +1 154 ASN n +1 155 GLY n +1 156 ALA n +1 157 MET n +1 158 SER n +1 159 ASN n +1 160 ALA n +1 161 ILE n +1 162 ASN n +1 163 GLU n +1 164 ILE n +1 165 ASP n +1 166 ASN n +1 167 THR n +1 168 ASP n +1 169 LEU n +1 170 VAL n +1 171 PHE n +1 172 VAL n +1 173 PHE n +1 174 GLY n +1 175 TYR n +1 176 ASN n +1 177 PRO n +1 178 ALA n +1 179 ASP n +1 180 SER n +1 181 HIS n +1 182 PRO n +1 183 ILE n +1 184 VAL n +1 185 ALA n +1 186 ASN n +1 187 HIS n +1 188 VAL n +1 189 ILE n +1 190 ASN n +1 191 ALA n +1 192 LYS n +1 193 ARG n +1 194 ASN n +1 195 GLY n +1 196 ALA n +1 197 LYS n +1 198 ILE n +1 199 ILE n +1 200 VAL n +1 201 CYS n +1 202 ASP n +1 203 PRO n +1 204 ARG n +1 205 LYS n +1 206 ILE n +1 207 GLU n +1 208 THR n +1 209 ALA n +1 210 ARG n +1 211 ILE n +1 212 ALA n +1 213 ASP n +1 214 MET n +1 215 HIS n +1 216 ILE n +1 217 ALA n +1 218 LEU n +1 219 LYS n +1 220 ASN n +1 221 GLY n +1 222 SER n +1 223 ASN n +1 224 ILE n +1 225 ALA n +1 226 LEU n +1 227 LEU n +1 228 ASN n +1 229 ALA n +1 230 MET n +1 231 GLY n +1 232 HIS n +1 233 VAL n +1 234 ILE n +1 235 ILE n +1 236 GLU n +1 237 GLU n +1 238 ASN n +1 239 LEU n +1 240 TYR n +1 241 ASP n +1 242 LYS n +1 243 ALA n +1 244 PHE n +1 245 VAL n +1 246 ALA n +1 247 SER n +1 248 ARG n +1 249 THR n +1 250 GLU n +1 251 GLY n +1 252 PHE n +1 253 GLU n +1 254 GLU n +1 255 TYR n +1 256 ARG n +1 257 LYS n +1 258 ILE n +1 259 VAL n +1 260 GLU n +1 261 GLY n +1 262 TYR n +1 263 THR n +1 264 PRO n +1 265 GLU n +1 266 SER n +1 267 VAL n +1 268 GLU n +1 269 ASP n +1 270 ILE n +1 271 THR n +1 272 GLY n +1 273 VAL n +1 274 SER n +1 275 ALA n +1 276 SER n +1 277 GLU n +1 278 ILE n +1 279 ARG n +1 280 GLN n +1 281 ALA n +1 282 ALA n +1 283 ARG n +1 284 MET n +1 285 TYR n +1 286 ALA n +1 287 GLN n +1 288 ALA n +1 289 LYS n +1 290 SER n +1 291 ALA n +1 292 ALA n +1 293 ILE n +1 294 LEU n +1 295 TRP n +1 296 GLY n +1 297 MET n +1 298 GLY n +1 299 VAL n +1 300 THR n +1 301 GLN n +1 302 PHE n +1 303 TYR n +1 304 GLN n +1 305 GLY n +1 306 VAL n +1 307 GLU n +1 308 THR n +1 309 VAL n +1 310 ARG n +1 311 SER n +1 312 LEU n +1 313 THR n +1 314 SER n +1 315 LEU n +1 316 ALA n +1 317 MET n +1 318 LEU n +1 319 THR n +1 320 GLY n +1 321 ASN n +1 322 LEU n +1 323 GLY n +1 324 LYS n +1 325 PRO n +1 326 HIS n +1 327 ALA n +1 328 GLY n +1 329 VAL n +1 330 ASN n +1 331 PRO n +1 332 VAL n +1 333 ARG n +1 334 GLY n +1 335 GLN n +1 336 ASN n +1 337 ASN n +1 338 VAL n +1 339 GLN n +1 340 GLY n +1 341 ALA n +1 342 CYS n +1 343 ASP n +1 344 MET n +1 345 GLY n +1 346 ALA n +1 347 LEU n +1 348 PRO n +1 349 ASP n +1 350 THR n +1 351 TYR n +1 352 PRO n +1 353 GLY n +1 354 TYR n +1 355 GLN n +1 356 TYR n +1 357 VAL n +1 358 LYS n +1 359 ASP n +1 360 PRO n +1 361 ALA n +1 362 ASN n +1 363 ARG n +1 364 GLU n +1 365 LYS n +1 366 PHE n +1 367 ALA n +1 368 LYS n +1 369 ALA n +1 370 TRP n +1 371 GLY n +1 372 VAL n +1 373 GLU n +1 374 SER n +1 375 LEU n +1 376 PRO n +1 377 ALA n +1 378 HIS n +1 379 THR n +1 380 GLY n +1 381 TYR n +1 382 ARG n +1 383 ILE n +1 384 SER n +1 385 GLU n +1 386 LEU n +1 387 PRO n +1 388 HIS n +1 389 ARG n +1 390 ALA n +1 391 ALA n +1 392 HIS n +1 393 GLY n +1 394 GLU n +1 395 VAL n +1 396 ARG n +1 397 ALA n +1 398 ALA n +1 399 TYR n +1 400 ILE n +1 401 MET n +1 402 GLY n +1 403 GLU n +1 404 ASP n +1 405 PRO n +1 406 LEU n +1 407 GLN n +1 408 THR n +1 409 ASP n +1 410 ALA n +1 411 GLU n +1 412 LEU n +1 413 SER n +1 414 ALA n +1 415 VAL n +1 416 ARG n +1 417 LYS n +1 418 ALA n +1 419 PHE n +1 420 GLU n +1 421 ASP n +1 422 LEU n +1 423 GLU n +1 424 LEU n +1 425 VAL n +1 426 ILE n +1 427 VAL n +1 428 GLN n +1 429 ASP n +1 430 ILE n +1 431 PHE n +1 432 MET n +1 433 THR n +1 434 LYS n +1 435 THR n +1 436 ALA n +1 437 SER n +1 438 ALA n +1 439 ALA n +1 440 ASP n +1 441 VAL n +1 442 ILE n +1 443 LEU n +1 444 PRO n +1 445 SER n +1 446 THR n +1 447 SER n +1 448 TRP n +1 449 GLY n +1 450 GLU n +1 451 HIS n +1 452 GLU n +1 453 GLY n +1 454 VAL n +1 455 PHE n +1 456 THR n +1 457 ALA n +1 458 ALA n +1 459 ASP n +1 460 ARG n +1 461 GLY n +1 462 PHE n +1 463 GLN n +1 464 ARG n +1 465 PHE n +1 466 PHE n +1 467 LYS n +1 468 ALA n +1 469 VAL n +1 470 GLU n +1 471 PRO n +1 472 LYS n +1 473 TRP n +1 474 ASP n +1 475 LEU n +1 476 LYS n +1 477 THR n +1 478 ASP n +1 479 TRP n +1 480 GLN n +1 481 ILE n +1 482 ILE n +1 483 SER n +1 484 GLU n +1 485 ILE n +1 486 ALA n +1 487 THR n +1 488 ARG n +1 489 MET n +1 490 GLY n +1 491 TYR n +1 492 PRO n +1 493 MET n +1 494 HIS n +1 495 TYR n +1 496 ASN n +1 497 ASN n +1 498 THR n +1 499 GLN n +1 500 GLU n +1 501 ILE n +1 502 TRP n +1 503 ASP n +1 504 GLU n +1 505 LEU n +1 506 ARG n +1 507 HIS n +1 508 LEU n +1 509 CYS n +1 510 PRO n +1 511 ASP n +1 512 PHE n +1 513 TYR n +1 514 GLY n +1 515 ALA n +1 516 THR n +1 517 TYR n +1 518 GLU n +1 519 LYS n +1 520 MET n +1 521 GLY n +1 522 GLU n +1 523 LEU n +1 524 GLY n +1 525 PHE n +1 526 ILE n +1 527 GLN n +1 528 TRP n +1 529 PRO n +1 530 CYS n +1 531 ARG n +1 532 ASP n +1 533 THR n +1 534 SER n +1 535 ASP n +1 536 ALA n +1 537 ASP n +1 538 GLN n +1 539 GLY n +1 540 THR n +1 541 SER n +1 542 TYR n +1 543 LEU n +1 544 PHE n +1 545 LYS n +1 546 GLU n +1 547 LYS n +1 548 PHE n +1 549 ASP n +1 550 THR n +1 551 PRO n +1 552 ASN n +1 553 GLY n +1 554 LEU n +1 555 ALA n +1 556 GLN n +1 557 PHE n +1 558 PHE n +1 559 THR n +1 560 CYS n +1 561 ASP n +1 562 TRP n +1 563 VAL n +1 564 ALA n +1 565 PRO n +1 566 ILE n +1 567 ASP n +1 568 LYS n +1 569 LEU n +1 570 THR n +1 571 ASP n +1 572 GLU n +1 573 TYR n +1 574 PRO n +1 575 MET n +1 576 VAL n +1 577 LEU n +1 578 SER n +1 579 THR n +1 580 VAL n +1 581 ARG n +1 582 GLU n +1 583 VAL n +1 584 GLY n +1 585 HIS n +1 586 TYR n +1 587 SER n +1 588 CYS n +1 589 ARG n +1 590 SER n +1 591 MET n +1 592 THR n +1 593 GLY n +1 594 ASN n +1 595 CYS n +1 596 ALA n +1 597 ALA n +1 598 LEU n +1 599 ALA n +1 600 ALA n +1 601 LEU n +1 602 ALA n +1 603 ASP n +1 604 GLU n +1 605 PRO n +1 606 GLY n +1 607 TYR n +1 608 ALA n +1 609 GLN n +1 610 ILE n +1 611 ASN n +1 612 THR n +1 613 GLU n +1 614 ASP n +1 615 ALA n +1 616 LYS n +1 617 ARG n +1 618 LEU n +1 619 GLY n +1 620 ILE n +1 621 GLU n +1 622 ASP n +1 623 GLU n +1 624 ALA n +1 625 LEU n +1 626 VAL n +1 627 TRP n +1 628 VAL n +1 629 HIS n +1 630 SER n +1 631 ARG n +1 632 LYS n +1 633 GLY n +1 634 LYS n +1 635 ILE n +1 636 ILE n +1 637 THR n +1 638 ARG n +1 639 ALA n +1 640 GLN n +1 641 VAL n +1 642 SER n +1 643 ASP n +1 644 ARG n +1 645 PRO n +1 646 ASN n +1 647 LYS n +1 648 GLY n +1 649 ALA n +1 650 ILE n +1 651 TYR n +1 652 MET n +1 653 THR n +1 654 TYR n +1 655 GLN n +1 656 TRP n +1 657 TRP n +1 658 ILE n +1 659 GLY n +1 660 ALA n +1 661 CYS n +1 662 ASN n +1 663 GLU n +1 664 LEU n +1 665 VAL n +1 666 THR n +1 667 GLU n +1 668 ASN n +1 669 LEU n +1 670 SER n +1 671 PRO n +1 672 ILE n +1 673 THR n +1 674 LYS n +1 675 THR n +1 676 PRO n +1 677 GLU n +1 678 TYR n +1 679 LYS n +1 680 TYR n +1 681 CYS n +1 682 ALA n +1 683 VAL n +1 684 ARG n +1 685 VAL n +1 686 GLU n +1 687 PRO n +1 688 ILE n +1 689 ALA n +1 690 ASP n +1 691 GLN n +1 692 ARG n +1 693 ALA n +1 694 ALA n +1 695 GLU n +1 696 GLN n +1 697 TYR n +1 698 VAL n +1 699 ILE n +1 700 ASP n +1 701 GLU n +1 702 TYR n +1 703 ASN n +1 704 LYS n +1 705 LEU n +1 706 LYS n +1 707 THR n +1 708 ARG n +1 709 LEU n +1 710 ARG n +1 711 GLU n +1 712 ALA n +1 713 ALA n +1 714 LEU n +1 715 ALA n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.gene_src_common_name ? +_entity_src_gen.gene_src_genus Escherichia +_entity_src_gen.pdbx_gene_src_gene FDHF +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain FM911 +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Escherichia coli' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 562 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 +_entity_src_gen.host_org_genus Escherichia +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain ? +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type ? +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.plasmid_name PFM20 +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description 'FDH-H WAS EXPRESSED ANAEROBICALLY' +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code FDHF_ECOLI +_struct_ref.entity_id 1 +_struct_ref.pdbx_db_accession P07658 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_seq_one_letter_code +;MKKVVTVCPYCASGCKINLVVDNGKIVRAEAAQGKTNQGTLCLKGYYGWDFINDTQILTPRLKTPMIRRQRGGKLEPVSW +DEALNYVAERLSAIKEKYGPDAIQTTGSSRGTGNETNYVMQKFARAVIGTNNVDCCARVCHGPSVAGLHQSVGNGAMSNA +INEIDNTDLVFVFGYNPADSHPIVANHVINAKRNGAKIIVCDPRKIETARIADMHIALKNGSNIALLNAMGHVIIEENLY +DKAFVASRTEGFEEYRKIVEGYTPESVEDITGVSASEIRQAARMYAQAKSAAILWGMGVTQFYQGVETVRSLTSLAMLTG +NLGKPHAGVNPVRGQNNVQGACDMGALPDTYPGYQYVKDPANREKFAKAWGVESLPAHTGYRISELPHRAAHGEVRAAYI +MGEDPLQTDAELSAVRKAFEDLELVIVQDIFMTKTASAADVILPSTSWGEHEGVFTAADRGFQRFFKAVEPKWDLKTDWQ +IISEIATRMGYPMHYNNTQEIWDELRHLCPDFYGATYEKMGELGFIQWPCRDTSDADQGTSYLFKEKFDTPNGLAQFFTC +DWVAPIDKLTDEYPMVLSTVREVGHYSCRSMTGNCAALAALADEPGYAQINTEDAKRLGIEDEALVWVHSRKGKIITRAQ +VSDRPNKGAIYMTYQWWIGACNELVTENLSPITKTPEYKYCAVRVEPIADQRAAEQYVIDEYNKLKTRLREAALA +; +_struct_ref.biol_id . +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1FDO +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 715 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P07658 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 715 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 715 +# +_struct_ref_seq_dif.align_id 1 +_struct_ref_seq_dif.pdbx_pdb_id_code 1FDO +_struct_ref_seq_dif.mon_id CSE +_struct_ref_seq_dif.pdbx_pdb_strand_id A +_struct_ref_seq_dif.seq_num 140 +_struct_ref_seq_dif.pdbx_pdb_ins_code ? +_struct_ref_seq_dif.pdbx_seq_db_name UNP +_struct_ref_seq_dif.pdbx_seq_db_accession_code P07658 +_struct_ref_seq_dif.db_mon_id CYS +_struct_ref_seq_dif.pdbx_seq_db_seq_num 140 +_struct_ref_seq_dif.details 'MODIFIED RESIDUE' +_struct_ref_seq_dif.pdbx_auth_seq_num 140 +_struct_ref_seq_dif.pdbx_ordinal 1 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +MET 'L-peptide linking' y METHIONINE +? 'C5 H11 N O2 S' 149.207 +LYS 'L-peptide linking' y LYSINE +? 'C6 H15 N2 O2 1' 147.197 +VAL 'L-peptide linking' y VALINE +? 'C5 H11 N O2' 117.147 +THR 'L-peptide linking' y THREONINE +? 'C4 H9 N O3' 119.120 +CYS 'L-peptide linking' y CYSTEINE +? 'C3 H7 N O2 S' 121.154 +PRO 'L-peptide linking' y PROLINE +? 'C5 H9 N O2' 115.132 +TYR 'L-peptide linking' y TYROSINE +? 'C9 H11 N O3' 181.191 +ALA 'L-peptide linking' y ALANINE +? 'C3 H7 N O2' 89.094 +SER 'L-peptide linking' y SERINE +? 'C3 H7 N O3' 105.093 +GLY 'peptide linking' y GLYCINE +? 'C2 H5 N O2' 75.067 +ILE 'L-peptide linking' y ISOLEUCINE +? 'C6 H13 N O2' 131.174 +ASN 'L-peptide linking' y ASPARAGINE +? 'C4 H8 N2 O3' 132.119 +LEU 'L-peptide linking' y LEUCINE +? 'C6 H13 N O2' 131.174 +ASP 'L-peptide linking' y 'ASPARTIC ACID' +? 'C4 H7 N O4' 133.104 +ARG 'L-peptide linking' y ARGININE +? 'C6 H15 N4 O2 1' 175.210 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' +? 'C5 H9 N O4' 147.130 +GLN 'L-peptide linking' y GLUTAMINE +? 'C5 H10 N2 O3' 146.146 +TRP 'L-peptide linking' y TRYPTOPHAN +? 'C11 H12 N2 O2' 204.228 +PHE 'L-peptide linking' y PHENYLALANINE +? 'C9 H11 N O2' 165.191 +CSE 'L-peptide linking' n SELENOCYSTEINE +? 'C3 H7 N O2 SE' 168.054 +HIS 'L-peptide linking' y HISTIDINE +? 'C6 H10 N3 O2 1' 156.164 +SF4 non-polymer . 'IRON/SULFUR CLUSTER' +? 'FE4 S4' 351.628 +MGD non-polymer . +'2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE' +'MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE' 'C20 H26 N10 O13 P2 S2' 740.552 +6MO non-polymer . 'MOLYBDENUM(VI) ION' +? 'MO 6' 95.940 +HOH non-polymer . WATER +? 'H2 O' 18.015 +# +_exptl.entry_id 1FDO +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.7 +_exptl_crystal.density_percent_sol 55. +_exptl_crystal.description ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'vapor diffusion - hanging drop in anaerobic atmosphere' +_exptl_crystal_grow.temp ? +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 7.5 +_exptl_crystal_grow.pdbx_pH_range ? +_exptl_crystal_grow.pdbx_details +;FDH-H WAS CRYSTALLIZED BY HANGING DROP VAPOR DIFFUSION IN AN ANAEROBIC ATMOSPHERE IN THE PRESENCE OF 1.5 M AMMONIUM SULFATE, 1% PEG 400, 20 MM SODIUM FORMATE AND 100 MM HEPES/NAOH AT PH 7.5. PRIOR TO FREEZING IN LIQUID NITROGEN, CRYSTALS WERE OXIDIZED BY SOAKING IN 10 MM BENZYL VIOLOGEN FOR 30 MINUTES., vapor diffusion - hanging drop in anaerobic atmosphere +; +# +_diffrn.id 1 +_diffrn.ambient_temp 93 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector 'IMAGE PLATE' +_diffrn_detector.type 'RIGAKU RAXIS' +_diffrn_detector.pdbx_collection_date 1995-10 +_diffrn_detector.details MIRRORS +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator 'NI FILTER' +_diffrn_radiation.pdbx_diffrn_protocol ? +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 1.5418 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source 'ROTATING ANODE' +_diffrn_source.type 'RIGAKU RUH2R' +_diffrn_source.pdbx_synchrotron_site ? +_diffrn_source.pdbx_synchrotron_beamline ? +_diffrn_source.pdbx_wavelength 1.5418 +_diffrn_source.pdbx_wavelength_list ? +# +_reflns.entry_id 1FDO +_reflns.observed_criterion_sigma_I 1.0 +_reflns.observed_criterion_sigma_F ? +_reflns.d_resolution_low 50.0 +_reflns.d_resolution_high 2.8 +_reflns.number_obs 20861 +_reflns.number_all ? +_reflns.percent_possible_obs 93.4 +_reflns.pdbx_Rmerge_I_obs 0.079 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 22.1 +_reflns.B_iso_Wilson_estimate ? +_reflns.pdbx_redundancy 4.0 +# +_reflns_shell.d_res_high 2.8 +_reflns_shell.d_res_low 2.9 +_reflns_shell.percent_possible_all 91.4 +_reflns_shell.Rmerge_I_obs 0.2 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.meanI_over_sigI_obs 8.4 +_reflns_shell.pdbx_redundancy ? +# +_computing.entry_id 1FDO +_computing.pdbx_data_reduction_ii DENZO +_computing.pdbx_data_reduction_ds SCALEPACK +_computing.data_collection ? +_computing.structure_solution 'X-PLOR 3.1' +_computing.structure_refinement 'X-PLOR 3.1' +_computing.pdbx_structure_refinement_method ? +# +_refine.entry_id 1FDO +_refine.ls_number_reflns_obs 18013 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 2.0 +_refine.pdbx_data_cutoff_high_absF 100000.0 +_refine.pdbx_data_cutoff_low_absF 0.1 +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 6.0 +_refine.ls_d_res_high 2.8 +_refine.ls_percent_reflns_obs 90. +_refine.ls_R_factor_obs 0.192 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.192 +_refine.ls_R_factor_R_free 0.281 +_refine.ls_R_factor_R_free_error 0.010 +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free 4.7 +_refine.ls_number_reflns_R_free 849 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.B_iso_mean 23.5 +_refine.aniso_B[1][1] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[3][3] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][3] ? +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details ? +_refine.pdbx_starting_model ? +_refine.pdbx_method_to_determine_struct +'DIFFERENCE FOURIER ANALYSIS USING PHASES FROM THE STRUCTURE OF REDUCED FDH-H (PDB ENTRY 1AA6)' +_refine.pdbx_isotropic_thermal_model RESTRAINED +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 5566 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 103 +_refine_hist.number_atoms_solvent 64 +_refine_hist.number_atoms_total 5733 +_refine_hist.d_res_high 2.8 +_refine_hist.d_res_low 6.0 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +x_bond_d 0.013 ? ? ? 'X-RAY DIFFRACTION' +x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' +x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' +x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' +x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' +x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' +x_angle_deg 1.85 ? ? ? 'X-RAY DIFFRACTION' +x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' +x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' +x_dihedral_angle_d 24.7 ? ? ? 'X-RAY DIFFRACTION' +x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' +x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' +x_improper_angle_d 1.54 ? ? ? 'X-RAY DIFFRACTION' +x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' +x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' +x_mcbond_it ? 1.5 ? ? 'X-RAY DIFFRACTION' +x_mcangle_it ? 2.0 ? ? 'X-RAY DIFFRACTION' +x_scbond_it ? 2.5 ? ? 'X-RAY DIFFRACTION' +x_scangle_it ? 2.5 ? ? 'X-RAY DIFFRACTION' +# +_refine_ls_shell.pdbx_total_number_of_bins_used 10 +_refine_ls_shell.d_res_high 2.80 +_refine_ls_shell.d_res_low 2.89 +_refine_ls_shell.number_reflns_R_work 1518 +_refine_ls_shell.R_factor_R_work 0.231 +_refine_ls_shell.percent_reflns_obs 77.2 +_refine_ls_shell.R_factor_R_free 0.33 +_refine_ls_shell.R_factor_R_free_error 0.039 +_refine_ls_shell.percent_reflns_R_free 4.3 +_refine_ls_shell.number_reflns_R_free 69 +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +# +loop_ +_pdbx_xplor_file.serial_no +_pdbx_xplor_file.param_file +_pdbx_xplor_file.topol_file +_pdbx_xplor_file.pdbx_refine_id +1 PARHCSDX.PRO TOPHCSDX.PRO 'X-RAY DIFFRACTION' +2 ? ? 'X-RAY DIFFRACTION' +# +_struct.entry_id 1FDO +_struct.title 'OXIDIZED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI' +_struct.pdbx_descriptor +;FORMATE DEHYDROGENASE H, IRON/SULFUR CLUSTER, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, MOLYBDENUM(VI) ION +; +_struct.pdbx_model_details ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1FDO +_struct_keywords.pdbx_keywords OXIDOREDUCTASE +_struct_keywords.text +;OXIDOREDUCTASE, SELENIUM, SELENOCYSTEINE, SECYS, MOLYBDENUM, MOLYBDOPTERIN, MPT, MOLYBDOPTERIN GUANINE DINUCLEOTIDE, MGD, IRON SULFUR CLUSTER, FE4S4, FORMATE, DEHYDROGENASE, ANAEROBIC +; +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 3 ? +E N N 4 ? +F N N 5 ? +# +_struct_biol.id 1 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 H1 LEU A 43 ? TYR A 47 ? LEU A 43 TYR A 47 1 ? 5 +HELX_P HELX_P2 G1 ASP A 50 ? ASN A 53 ? ASP A 50 ASN A 53 5 ? 4 +HELX_P HELX_P3 H2 TRP A 80 ? TYR A 98 ? TRP A 80 TYR A 98 1 ? 19 +HELX_P HELX_P4 H3 ASN A 114 ? ILE A 128 ? ASN A 114 ILE A 128 1 ? 15 +HELX_P HELX_P5 G2 CYS A 136 ? VAL A 139 ? CYS A 136 VAL A 139 5 ? 4 +HELX_P HELX_P6 H4 GLY A 142 ? VAL A 152 ? GLY A 142 VAL A 152 1 ? 11 +HELX_P HELX_P7 G3 ILE A 161 ? ASN A 166 ? ILE A 161 ASN A 166 5 ? 6 +HELX_P HELX_P8 H5 PRO A 177 ? SER A 180 ? PRO A 177 SER A 180 1 ? 4 +HELX_P HELX_P9 H6 PRO A 182 ? ARG A 193 ? PRO A 182 ARG A 193 1 ? 12 +HELX_P HELX_P10 G4 GLU A 207 ? ILE A 211 ? GLU A 207 ILE A 211 5 ? 5 +HELX_P HELX_P11 H7 ASN A 223 ? GLU A 236 ? ASN A 223 GLU A 236 1 ? 14 +HELX_P HELX_P12 H8 LYS A 242 ? ARG A 248 ? LYS A 242 ARG A 248 1 ? 7 +HELX_P HELX_P13 H9 PHE A 252 ? VAL A 259 ? PHE A 252 VAL A 259 1 ? 8 +HELX_P HELX_P14 H10 PRO A 264 ? THR A 271 ? PRO A 264 THR A 271 1 ? 8 +HELX_P HELX_P15 H11 ALA A 275 ? GLN A 287 ? ALA A 275 GLN A 287 1 ? 13 +HELX_P HELX_P16 H12 MET A 297 ? THR A 300 ? MET A 297 THR A 300 1 ? 4 +HELX_P HELX_P17 H13 GLY A 305 ? THR A 319 ? GLY A 305 THR A 319 1 ? 15 +HELX_P HELX_P18 H14 VAL A 338 ? ASP A 343 ? VAL A 338 ASP A 343 1 ? 6 +HELX_P HELX_P19 H15 PRO A 360 ? ALA A 369 ? PRO A 360 ALA A 369 1 ? 10 +HELX_P HELX_P20 H16 LEU A 386 ? ALA A 391 ? LEU A 386 ALA A 391 1 ? 6 +HELX_P HELX_P21 H17 PRO A 405 ? THR A 408 ? PRO A 405 THR A 408 1 ? 4 +HELX_P HELX_P22 H18 LEU A 412 ? ASP A 421 ? LEU A 412 ASP A 421 1 ? 10 +HELX_P HELX_P23 H19 LYS A 434 ? SER A 437 ? LYS A 434 SER A 437 1 ? 4 +HELX_P HELX_P24 H20 ASP A 478 ? ARG A 488 ? ASP A 478 ARG A 488 1 ? 11 +HELX_P HELX_P25 H21 THR A 498 ? LEU A 508 ? THR A 498 LEU A 508 1 ? 11 +HELX_P HELX_P26 H22 TYR A 517 ? MET A 520 ? TYR A 517 MET A 520 1 ? 4 +HELX_P HELX_P27 H23 MET A 591 ? ASN A 594 ? MET A 591 ASN A 594 1 ? 4 +HELX_P HELX_P28 H24 ALA A 596 ? LEU A 601 ? ALA A 596 LEU A 601 1 ? 6 +HELX_P HELX_P29 H25 THR A 612 ? LEU A 618 ? THR A 612 LEU A 618 1 ? 7 +HELX_P HELX_P30 G5 CYS A 661 ? LEU A 664 ? CYS A 661 LEU A 664 5 ? 4 +HELX_P HELX_P31 H26 GLN A 691 ? ALA A 715 ? GLN A 691 ALA A 715 1 ? 25 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +covale1 covale ? A CSE 140 N ? ? ? 1_555 A VAL 139 C ? ? A CSE 140 A VAL 139 1_555 ? ? ? ? ? ? ? 1.328 +covale2 covale ? A CSE 140 C ? ? ? 1_555 A HIS 141 N ? ? A CSE 140 A HIS 141 1_555 ? ? ? ? ? ? ? 1.327 +metalc1 metalc ? A CYS 8 SG ? ? ? 1_555 B SF4 . FE2 ? ? A CYS 8 A SF4 800 1_555 ? ? ? ? ? ? ? 2.331 +metalc2 metalc ? A CYS 11 SG ? ? ? 1_555 B SF4 . FE4 ? ? A CYS 11 A SF4 800 1_555 ? ? ? ? ? ? ? 2.346 +metalc3 metalc ? A CYS 15 SG ? ? ? 1_555 B SF4 . FE3 ? ? A CYS 15 A SF4 800 1_555 ? ? ? ? ? ? ? 2.244 +metalc4 metalc ? A CYS 42 SG ? ? ? 1_555 B SF4 . FE1 ? ? A CYS 42 A SF4 800 1_555 ? ? ? ? ? ? ? 2.371 +metalc5 metalc ? C MGD . S12 ? ? ? 1_555 E 6MO . MO ? ? A MGD 801 A 6MO 803 1_555 ? ? ? ? ? ? ? 2.490 +metalc6 metalc ? C MGD . S13 ? ? ? 1_555 E 6MO . MO ? ? A MGD 801 A 6MO 803 1_555 ? ? ? ? ? ? ? 2.347 +metalc7 metalc ? D MGD . S12 ? ? ? 1_555 E 6MO . MO ? ? A MGD 802 A 6MO 803 1_555 ? ? ? ? ? ? ? 2.374 +metalc8 metalc ? D MGD . S13 ? ? ? 1_555 E 6MO . MO ? ? A MGD 802 A 6MO 803 1_555 ? ? ? ? ? ? ? 2.443 +metalc9 metalc ? E 6MO . MO ? ? ? 1_555 F HOH . O ? ? A 6MO 803 A HOH 861 1_555 ? ? ? ? ? ? ? 2.140 +metalc10 metalc ? A CSE 140 SE ? ? ? 1_555 E 6MO . MO ? ? A CSE 140 A 6MO 803 1_555 ? ? ? ? ? ? ? 2.597 +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +covale ? ? +metalc ? ? +# +loop_ +_struct_mon_prot_cis.pdbx_id +_struct_mon_prot_cis.label_comp_id +_struct_mon_prot_cis.label_seq_id +_struct_mon_prot_cis.label_asym_id +_struct_mon_prot_cis.label_alt_id +_struct_mon_prot_cis.pdbx_PDB_ins_code +_struct_mon_prot_cis.auth_comp_id +_struct_mon_prot_cis.auth_seq_id +_struct_mon_prot_cis.auth_asym_id +_struct_mon_prot_cis.pdbx_label_comp_id_2 +_struct_mon_prot_cis.pdbx_label_seq_id_2 +_struct_mon_prot_cis.pdbx_label_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 +_struct_mon_prot_cis.pdbx_auth_comp_id_2 +_struct_mon_prot_cis.pdbx_auth_seq_id_2 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_model_num +_struct_mon_prot_cis.pdbx_omega_angle +1 TRP 528 A . ? TRP 528 A PRO 529 A ? PRO 529 A 1 -0.01 +2 GLU 604 A . ? GLU 604 A PRO 605 A ? PRO 605 A 1 0.01 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 3 ? +B ? 6 ? +C ? 5 ? +D ? 3 ? +E ? 7 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? anti-parallel +A 2 3 ? anti-parallel +B 1 2 ? anti-parallel +B 2 3 ? parallel +B 3 4 ? parallel +B 4 5 ? parallel +B 5 6 ? parallel +C 1 2 ? parallel +C 2 3 ? parallel +C 3 4 ? parallel +C 4 5 ? parallel +D 1 2 ? anti-parallel +D 2 3 ? anti-parallel +E 1 2 ? parallel +E 2 3 ? anti-parallel +E 3 4 ? parallel +E 4 5 ? anti-parallel +E 5 6 ? anti-parallel +E 6 7 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.symmetry +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 LYS A 2 ? VAL A 7 ? ? LYS A 2 VAL A 7 +A 2 LYS A 16 ? VAL A 21 ? ? LYS A 16 VAL A 21 +A 3 ILE A 26 ? ALA A 31 ? ? ILE A 26 ALA A 31 +B 1 MET A 66 ? ARG A 68 ? ? MET A 66 ARG A 68 +B 2 VAL A 441 ? PRO A 444 ? ? VAL A 441 PRO A 444 +B 3 LEU A 424 ? ASP A 429 ? ? LEU A 424 ASP A 429 +B 4 ALA A 397 ? MET A 401 ? ? ALA A 397 MET A 401 +B 5 ILE A 103 ? THR A 106 ? ? ILE A 103 THR A 106 +B 6 VAL A 133 ? ASP A 134 ? ? VAL A 133 ASP A 134 +C 1 MET A 214 ? ILE A 216 ? ? MET A 214 ILE A 216 +C 2 LYS A 197 ? CYS A 201 ? ? LYS A 197 CYS A 201 +C 3 LEU A 169 ? PHE A 173 ? ? LEU A 169 PHE A 173 +C 4 ALA A 291 ? TRP A 295 ? ? ALA A 291 TRP A 295 +C 5 VAL A 329 ? PRO A 331 ? ? VAL A 329 PRO A 331 +D 1 GLY A 453 ? THR A 456 ? ? GLY A 453 THR A 456 +D 2 GLY A 461 ? PHE A 465 ? ? GLY A 461 PHE A 465 +D 3 ILE A 526 ? GLN A 527 ? ? ILE A 526 GLN A 527 +E 1 MET A 575 ? THR A 579 ? ? MET A 575 THR A 579 +E 2 ALA A 649 ? MET A 652 ? ? ALA A 649 MET A 652 +E 3 TYR A 607 ? ASN A 611 ? ? TYR A 607 ASN A 611 +E 4 LYS A 634 ? SER A 642 ? ? LYS A 634 SER A 642 +E 5 LEU A 625 ? HIS A 629 ? ? LEU A 625 HIS A 629 +E 6 TYR A 680 ? PRO A 687 ? ? TYR A 680 PRO A 687 +E 7 MET A 575 ? THR A 579 ? ? MET A 575 THR A 579 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O THR A 6 ? O THR A 6 N ILE A 17 ? N ILE A 17 +A 2 3 O ASN A 18 ? O ASN A 18 N GLU A 30 ? N GLU A 30 +B 1 2 O MET A 66 ? O MET A 66 N ILE A 442 ? N ILE A 442 +B 2 3 N LEU A 443 ? N LEU A 443 O VAL A 427 ? O VAL A 427 +B 3 4 N ILE A 426 ? N ILE A 426 O ALA A 398 ? O ALA A 398 +B 4 5 N TYR A 399 ? N TYR A 399 O GLN A 104 ? O GLN A 104 +B 5 6 O THR A 105 ? O THR A 105 N ASP A 134 ? N ASP A 134 +C 1 2 N ILE A 216 ? N ILE A 216 O VAL A 200 ? O VAL A 200 +C 2 3 N ILE A 199 ? N ILE A 199 O VAL A 170 ? O VAL A 170 +C 3 4 O PHE A 171 ? O PHE A 171 N LEU A 294 ? N LEU A 294 +C 4 5 O ILE A 293 ? O ILE A 293 N ASN A 330 ? N ASN A 330 +D 1 2 O PHE A 455 ? O PHE A 455 N GLN A 463 ? N GLN A 463 +D 2 3 N PHE A 462 ? N PHE A 462 O ILE A 526 ? O ILE A 526 +E 1 2 N SER A 578 ? N SER A 578 O ILE A 650 ? O ILE A 650 +E 2 3 N TYR A 651 ? N TYR A 651 O GLN A 609 ? O GLN A 609 +E 3 4 O ALA A 608 ? O ALA A 608 N GLN A 640 ? N GLN A 640 +E 4 5 O ILE A 635 ? O ILE A 635 N VAL A 628 ? N VAL A 628 +E 5 6 O TRP A 627 ? O TRP A 627 N GLU A 686 ? N GLU A 686 +E 6 7 N VAL A 683 ? N VAL A 683 O MET A 575 ? O MET A 575 +# +loop_ +_struct_site.id +_struct_site.details +_struct_site.pdbx_evidence_code +MO4 +;THE MOLYBDENUM ATOM IS COORDINATED TO THE SELENIUM ATOM OF SEC 140, THE OXYGEN ATOM OF A HYDROXYL ION (HOH 63) AND THE FOUR SULFUR ATOMS OF MGD 801 AND MGD 802. +; +UNKNOWN +FS4 'THE IRON SULFUR CLUSTER IS COORDINATED TO THE SULFUR ATOMS OF CYS 8, CYS 11, CYS 15, AND CYS 42.' +UNKNOWN +AC1 'BINDING SITE FOR RESIDUE SF4 A 800' +SOFTWARE +AC2 'BINDING SITE FOR RESIDUE MGD A 801' +SOFTWARE +AC3 'BINDING SITE FOR RESIDUE MGD A 802' +SOFTWARE +AC4 'BINDING SITE FOR RESIDUE 6MO A 803' +SOFTWARE +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 MO4 5 CSE A 140 ? CSE A 140 . . 1_555 ? +2 MO4 5 MGD C . ? MGD A 801 . . 1_555 ? +3 MO4 5 MGD D . ? MGD A 802 . . 1_555 ? +4 MO4 5 LYS A 63 ? LYS A 63 . . 1_555 ? +5 MO4 5 6MO E . ? 6MO A 803 . . 1_555 ? +6 FS4 5 SF4 B . ? SF4 A 800 . . 1_555 ? +7 FS4 5 CYS A 8 ? CYS A 8 . . 1_555 ? +8 FS4 5 CYS A 11 ? CYS A 11 . . 1_555 ? +9 FS4 5 CYS A 15 ? CYS A 15 . . 1_555 ? +10 FS4 5 CYS A 42 ? CYS A 42 . . 1_555 ? +11 AC1 10 CYS A 8 ? CYS A 8 . . 1_555 ? +12 AC1 10 TYR A 10 ? TYR A 10 . . 1_555 ? +13 AC1 10 CYS A 11 ? CYS A 11 . . 1_555 ? +14 AC1 10 SER A 13 ? SER A 13 . . 1_555 ? +15 AC1 10 CYS A 15 ? CYS A 15 . . 1_555 ? +16 AC1 10 LEU A 41 ? LEU A 41 . . 1_555 ? +17 AC1 10 CYS A 42 ? CYS A 42 . . 1_555 ? +18 AC1 10 LYS A 44 ? LYS A 44 . . 1_555 ? +19 AC1 10 GLY A 45 ? GLY A 45 . . 1_555 ? +20 AC1 10 PRO A 182 ? PRO A 182 . . 1_555 ? +21 AC2 36 ARG A 110 ? ARG A 110 . . 1_555 ? +22 AC2 36 GLY A 111 ? GLY A 111 . . 1_555 ? +23 AC2 36 THR A 112 ? THR A 112 . . 1_555 ? +24 AC2 36 VAL A 139 ? VAL A 139 . . 1_555 ? +25 AC2 36 CSE A 140 ? CSE A 140 . . 1_555 ? +26 AC2 36 MET A 297 ? MET A 297 . . 1_555 ? +27 AC2 36 GLN A 301 ? GLN A 301 . . 1_555 ? +28 AC2 36 GLN A 335 ? GLN A 335 . . 1_555 ? +29 AC2 36 GLY A 402 ? GLY A 402 . . 1_555 ? +30 AC2 36 GLU A 403 ? GLU A 403 . . 1_555 ? +31 AC2 36 ASP A 404 ? ASP A 404 . . 1_555 ? +32 AC2 36 THR A 408 ? THR A 408 . . 1_555 ? +33 AC2 36 GLN A 428 ? GLN A 428 . . 1_555 ? +34 AC2 36 ASP A 429 ? ASP A 429 . . 1_555 ? +35 AC2 36 ILE A 430 ? ILE A 430 . . 1_555 ? +36 AC2 36 PHE A 431 ? PHE A 431 . . 1_555 ? +37 AC2 36 THR A 433 ? THR A 433 . . 1_555 ? +38 AC2 36 SER A 445 ? SER A 445 . . 1_555 ? +39 AC2 36 THR A 446 ? THR A 446 . . 1_555 ? +40 AC2 36 HIS A 451 ? HIS A 451 . . 1_555 ? +41 AC2 36 ASP A 478 ? ASP A 478 . . 1_555 ? +42 AC2 36 THR A 579 ? THR A 579 . . 1_555 ? +43 AC2 36 ARG A 581 ? ARG A 581 . . 1_555 ? +44 AC2 36 SER A 587 ? SER A 587 . . 1_555 ? +45 AC2 36 CYS A 588 ? CYS A 588 . . 1_555 ? +46 AC2 36 SER A 590 ? SER A 590 . . 1_555 ? +47 AC2 36 TYR A 654 ? TYR A 654 . . 1_555 ? +48 AC2 36 CYS A 661 ? CYS A 661 . . 1_555 ? +49 AC2 36 ASN A 662 ? ASN A 662 . . 1_555 ? +50 AC2 36 TYR A 678 ? TYR A 678 . . 1_555 ? +51 AC2 36 LYS A 679 ? LYS A 679 . . 1_555 ? +52 AC2 36 MGD D . ? MGD A 802 . . 1_555 ? +53 AC2 36 6MO E . ? 6MO A 803 . . 1_555 ? +54 AC2 36 HOH F . ? HOH A 814 . . 1_555 ? +55 AC2 36 HOH F . ? HOH A 828 . . 1_555 ? +56 AC2 36 HOH F . ? HOH A 849 . . 1_555 ? +57 AC3 34 LYS A 44 ? LYS A 44 . . 1_555 ? +58 AC3 34 CSE A 140 ? CSE A 140 . . 1_555 ? +59 AC3 34 PHE A 173 ? PHE A 173 . . 1_555 ? +60 AC3 34 GLY A 174 ? GLY A 174 . . 1_555 ? +61 AC3 34 TYR A 175 ? TYR A 175 . . 1_555 ? +62 AC3 34 ASN A 176 ? ASN A 176 . . 1_555 ? +63 AC3 34 ASP A 179 ? ASP A 179 . . 1_555 ? +64 AC3 34 SER A 180 ? SER A 180 . . 1_555 ? +65 AC3 34 CYS A 201 ? CYS A 201 . . 1_555 ? +66 AC3 34 ASP A 202 ? ASP A 202 . . 1_555 ? +67 AC3 34 PRO A 203 ? PRO A 203 . . 1_555 ? +68 AC3 34 ARG A 204 ? ARG A 204 . . 1_555 ? +69 AC3 34 ILE A 206 ? ILE A 206 . . 1_555 ? +70 AC3 34 GLY A 221 ? GLY A 221 . . 1_555 ? +71 AC3 34 ASN A 223 ? ASN A 223 . . 1_555 ? +72 AC3 34 GLY A 296 ? GLY A 296 . . 1_555 ? +73 AC3 34 MET A 297 ? MET A 297 . . 1_555 ? +74 AC3 34 GLY A 298 ? GLY A 298 . . 1_555 ? +75 AC3 34 PHE A 302 ? PHE A 302 . . 1_555 ? +76 AC3 34 GLY A 334 ? GLY A 334 . . 1_555 ? +77 AC3 34 GLN A 335 ? GLN A 335 . . 1_555 ? +78 AC3 34 SER A 578 ? SER A 578 . . 1_555 ? +79 AC3 34 VAL A 580 ? VAL A 580 . . 1_555 ? +80 AC3 34 ARG A 581 ? ARG A 581 . . 1_555 ? +81 AC3 34 GLU A 582 ? GLU A 582 . . 1_555 ? +82 AC3 34 VAL A 583 ? VAL A 583 . . 1_555 ? +83 AC3 34 HIS A 585 ? HIS A 585 . . 1_555 ? +84 AC3 34 TYR A 586 ? TYR A 586 . . 1_555 ? +85 AC3 34 SER A 587 ? SER A 587 . . 1_555 ? +86 AC3 34 TYR A 654 ? TYR A 654 . . 1_555 ? +87 AC3 34 LYS A 679 ? LYS A 679 . . 1_555 ? +88 AC3 34 MGD C . ? MGD A 801 . . 1_555 ? +89 AC3 34 6MO E . ? 6MO A 803 . . 1_555 ? +90 AC3 34 HOH F . ? HOH A 804 . . 1_555 ? +91 AC4 4 CSE A 140 ? CSE A 140 . . 1_555 ? +92 AC4 4 MGD C . ? MGD A 801 . . 1_555 ? +93 AC4 4 MGD D . ? MGD A 802 . . 1_555 ? +94 AC4 4 HOH F . ? HOH A 861 . . 1_555 ? +# +_database_PDB_matrix.entry_id 1FDO +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_atom_sites.entry_id 1FDO +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 0.006821 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.006821 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.012330 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +N +C +O +S +SE +FE +P +MO +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x_esd +_atom_site.Cartn_y_esd +_atom_site.Cartn_z_esd +_atom_site.occupancy_esd +_atom_site.B_iso_or_equiv_esd +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . MET A 1 1 ? 69.175 1.588 30.187 1.00 30.48 ? ? ? ? ? ? 1 MET A N 1 +ATOM 2 C CA . MET A 1 1 ? 68.972 3.049 30.346 1.00 29.76 ? ? ? ? ? ? 1 MET A CA 1 +ATOM 3 C C . MET A 1 1 ? 70.121 3.387 31.249 1.00 30.39 ? ? ? ? ? ? 1 MET A C 1 +ATOM 4 O O . MET A 1 1 ? 70.396 2.622 32.169 1.00 32.08 ? ? ? ? ? ? 1 MET A O 1 +ATOM 5 C CB . MET A 1 1 ? 67.664 3.327 31.064 1.00 27.72 ? ? ? ? ? ? 1 MET A CB 1 +ATOM 6 C CG . MET A 1 1 ? 67.326 4.768 31.102 1.00 26.60 ? ? ? ? ? ? 1 MET A CG 1 +ATOM 7 S SD . MET A 1 1 ? 65.765 5.092 30.256 1.00 29.83 ? ? ? ? ? ? 1 MET A SD 1 +ATOM 8 C CE . MET A 1 1 ? 65.067 6.265 31.401 1.00 27.19 ? ? ? ? ? ? 1 MET A CE 1 +ATOM 9 N N . LYS A 1 2 ? 70.824 4.476 30.971 1.00 29.60 ? ? ? ? ? ? 2 LYS A N 1 +ATOM 10 C CA . LYS A 1 2 ? 71.962 4.841 31.790 1.00 28.27 ? ? ? ? ? ? 2 LYS A CA 1 +ATOM 11 C C . LYS A 1 2 ? 72.069 6.339 31.955 1.00 27.25 ? ? ? ? ? ? 2 LYS A C 1 +ATOM 12 O O . LYS A 1 2 ? 71.306 7.089 31.365 1.00 27.09 ? ? ? ? ? ? 2 LYS A O 1 +ATOM 13 C CB . LYS A 1 2 ? 73.259 4.300 31.185 1.00 28.17 ? ? ? ? ? ? 2 LYS A CB 1 +ATOM 14 C CG . LYS A 1 2 ? 73.572 4.849 29.807 1.00 30.42 ? ? ? ? ? ? 2 LYS A CG 1 +ATOM 15 C CD . LYS A 1 2 ? 75.031 4.619 29.479 1.00 33.82 ? ? ? ? ? ? 2 LYS A CD 1 +ATOM 16 C CE . LYS A 1 2 ? 75.476 5.391 28.238 1.00 35.40 ? ? ? ? ? ? 2 LYS A CE 1 +ATOM 17 N NZ . LYS A 1 2 ? 76.972 5.606 28.239 1.00 37.26 ? ? ? ? ? ? 2 LYS A NZ 1 +ATOM 18 N N . LYS A 1 3 ? 73.021 6.750 32.783 1.00 26.03 ? ? ? ? ? ? 3 LYS A N 1 +ATOM 19 C CA . LYS A 1 3 ? 73.286 8.143 33.052 1.00 25.07 ? ? ? ? ? ? 3 LYS A CA 1 +ATOM 20 C C . LYS A 1 3 ? 74.744 8.422 32.751 1.00 24.40 ? ? ? ? ? ? 3 LYS A C 1 +ATOM 21 O O . LYS A 1 3 ? 75.623 7.628 33.103 1.00 23.94 ? ? ? ? ? ? 3 LYS A O 1 +ATOM 22 C CB . LYS A 1 3 ? 72.942 8.490 34.497 1.00 25.34 ? ? ? ? ? ? 3 LYS A CB 1 +ATOM 23 C CG . LYS A 1 3 ? 71.494 8.911 34.622 1.00 28.94 ? ? ? ? ? ? 3 LYS A CG 1 +ATOM 24 C CD . LYS A 1 3 ? 71.097 9.284 36.036 1.00 32.47 ? ? ? ? ? ? 3 LYS A CD 1 +ATOM 25 C CE . LYS A 1 3 ? 69.576 9.295 36.165 1.00 34.47 ? ? ? ? ? ? 3 LYS A CE 1 +ATOM 26 N NZ . LYS A 1 3 ? 69.101 9.160 37.590 1.00 37.49 ? ? ? ? ? ? 3 LYS A NZ 1 +ATOM 27 N N . VAL A 1 4 ? 74.986 9.534 32.061 1.00 23.14 ? ? ? ? ? ? 4 VAL A N 1 +ATOM 28 C CA . VAL A 1 4 ? 76.326 9.955 31.669 1.00 21.10 ? ? ? ? ? ? 4 VAL A CA 1 +ATOM 29 C C . VAL A 1 4 ? 76.545 11.304 32.324 1.00 19.90 ? ? ? ? ? ? 4 VAL A C 1 +ATOM 30 O O . VAL A 1 4 ? 75.723 12.193 32.189 1.00 20.26 ? ? ? ? ? ? 4 VAL A O 1 +ATOM 31 C CB . VAL A 1 4 ? 76.439 10.086 30.116 1.00 20.76 ? ? ? ? ? ? 4 VAL A CB 1 +ATOM 32 C CG1 . VAL A 1 4 ? 77.835 10.449 29.695 1.00 19.06 ? ? ? ? ? ? 4 VAL A CG1 1 +ATOM 33 C CG2 . VAL A 1 4 ? 76.035 8.793 29.453 1.00 19.98 ? ? ? ? ? ? 4 VAL A CG2 1 +ATOM 34 N N . VAL A 1 5 ? 77.617 11.419 33.093 1.00 19.46 ? ? ? ? ? ? 5 VAL A N 1 +ATOM 35 C CA . VAL A 1 5 ? 77.959 12.651 33.788 1.00 18.42 ? ? ? ? ? ? 5 VAL A CA 1 +ATOM 36 C C . VAL A 1 5 ? 78.576 13.677 32.847 1.00 19.01 ? ? ? ? ? ? 5 VAL A C 1 +ATOM 37 O O . VAL A 1 5 ? 79.347 13.331 31.953 1.00 19.75 ? ? ? ? ? ? 5 VAL A O 1 +ATOM 38 C CB . VAL A 1 5 ? 78.954 12.357 34.894 1.00 18.09 ? ? ? ? ? ? 5 VAL A CB 1 +ATOM 39 C CG1 . VAL A 1 5 ? 79.429 13.643 35.535 1.00 20.21 ? ? ? ? ? ? 5 VAL A CG1 1 +ATOM 40 C CG2 . VAL A 1 5 ? 78.302 11.467 35.914 1.00 18.68 ? ? ? ? ? ? 5 VAL A CG2 1 +ATOM 41 N N . THR A 1 6 ? 78.228 14.942 33.029 1.00 18.60 ? ? ? ? ? ? 6 THR A N 1 +ATOM 42 C CA . THR A 1 6 ? 78.783 15.978 32.184 1.00 18.12 ? ? ? ? ? ? 6 THR A CA 1 +ATOM 43 C C . THR A 1 6 ? 78.759 17.269 32.969 1.00 17.46 ? ? ? ? ? ? 6 THR A C 1 +ATOM 44 O O . THR A 1 6 ? 78.338 17.293 34.124 1.00 18.94 ? ? ? ? ? ? 6 THR A O 1 +ATOM 45 C CB . THR A 1 6 ? 78.004 16.110 30.850 1.00 19.10 ? ? ? ? ? ? 6 THR A CB 1 +ATOM 46 O OG1 . THR A 1 6 ? 78.747 16.933 29.934 1.00 21.25 ? ? ? ? ? ? 6 THR A OG1 1 +ATOM 47 C CG2 . THR A 1 6 ? 76.630 16.712 31.074 1.00 17.41 ? ? ? ? ? ? 6 THR A CG2 1 +ATOM 48 N N . VAL A 1 7 ? 79.294 18.317 32.370 1.00 15.57 ? ? ? ? ? ? 7 VAL A N 1 +ATOM 49 C CA . VAL A 1 7 ? 79.340 19.631 32.978 1.00 14.73 ? ? ? ? ? ? 7 VAL A CA 1 +ATOM 50 C C . VAL A 1 7 ? 78.497 20.471 32.025 1.00 14.89 ? ? ? ? ? ? 7 VAL A C 1 +ATOM 51 O O . VAL A 1 7 ? 78.452 20.170 30.829 1.00 16.08 ? ? ? ? ? ? 7 VAL A O 1 +ATOM 52 C CB . VAL A 1 7 ? 80.799 20.147 33.018 1.00 13.81 ? ? ? ? ? ? 7 VAL A CB 1 +ATOM 53 C CG1 . VAL A 1 7 ? 80.837 21.626 33.302 1.00 17.03 ? ? ? ? ? ? 7 VAL A CG1 1 +ATOM 54 C CG2 . VAL A 1 7 ? 81.573 19.419 34.070 1.00 11.22 ? ? ? ? ? ? 7 VAL A CG2 1 +ATOM 55 N N . CYS A 1 8 ? 77.788 21.478 32.530 1.00 13.78 ? ? ? ? ? ? 8 CYS A N 1 +ATOM 56 C CA . CYS A 1 8 ? 76.968 22.293 31.644 1.00 13.63 ? ? ? ? ? ? 8 CYS A CA 1 +ATOM 57 C C . CYS A 1 8 ? 77.798 23.194 30.714 1.00 13.28 ? ? ? ? ? ? 8 CYS A C 1 +ATOM 58 O O . CYS A 1 8 ? 78.718 23.883 31.161 1.00 12.55 ? ? ? ? ? ? 8 CYS A O 1 +ATOM 59 C CB . CYS A 1 8 ? 75.963 23.114 32.439 1.00 13.13 ? ? ? ? ? ? 8 CYS A CB 1 +ATOM 60 S SG . CYS A 1 8 ? 74.930 24.219 31.417 1.00 15.41 ? ? ? ? ? ? 8 CYS A SG 1 +ATOM 61 N N . PRO A 1 9 ? 77.489 23.170 29.398 1.00 13.31 ? ? ? ? ? ? 9 PRO A N 1 +ATOM 62 C CA . PRO A 1 9 ? 78.121 23.928 28.303 1.00 13.31 ? ? ? ? ? ? 9 PRO A CA 1 +ATOM 63 C C . PRO A 1 9 ? 77.683 25.396 28.174 1.00 12.18 ? ? ? ? ? ? 9 PRO A C 1 +ATOM 64 O O . PRO A 1 9 ? 78.071 26.084 27.233 1.00 12.95 ? ? ? ? ? ? 9 PRO A O 1 +ATOM 65 C CB . PRO A 1 9 ? 77.677 23.153 27.065 1.00 13.41 ? ? ? ? ? ? 9 PRO A CB 1 +ATOM 66 C CG . PRO A 1 9 ? 76.300 22.754 27.427 1.00 14.24 ? ? ? ? ? ? 9 PRO A CG 1 +ATOM 67 C CD . PRO A 1 9 ? 76.493 22.235 28.846 1.00 13.78 ? ? ? ? ? ? 9 PRO A CD 1 +ATOM 68 N N . TYR A 1 10 ? 76.897 25.879 29.120 1.00 10.40 ? ? ? ? ? ? 10 TYR A N 1 +ATOM 69 C CA . TYR A 1 10 ? 76.413 27.227 29.037 1.00 8.25 ? ? ? ? ? ? 10 TYR A CA 1 +ATOM 70 C C . TYR A 1 10 ? 77.295 28.130 29.828 1.00 8.66 ? ? ? ? ? ? 10 TYR A C 1 +ATOM 71 O O . TYR A 1 10 ? 78.385 28.434 29.350 1.00 10.76 ? ? ? ? ? ? 10 TYR A O 1 +ATOM 72 C CB . TYR A 1 10 ? 74.929 27.289 29.411 1.00 9.08 ? ? ? ? ? ? 10 TYR A CB 1 +ATOM 73 C CG . TYR A 1 10 ? 74.098 26.652 28.329 1.00 7.64 ? ? ? ? ? ? 10 TYR A CG 1 +ATOM 74 C CD1 . TYR A 1 10 ? 74.054 27.215 27.072 1.00 9.52 ? ? ? ? ? ? 10 TYR A CD1 1 +ATOM 75 C CD2 . TYR A 1 10 ? 73.451 25.435 28.523 1.00 10.91 ? ? ? ? ? ? 10 TYR A CD2 1 +ATOM 76 C CE1 . TYR A 1 10 ? 73.395 26.592 26.021 1.00 12.65 ? ? ? ? ? ? 10 TYR A CE1 1 +ATOM 77 C CE2 . TYR A 1 10 ? 72.782 24.784 27.464 1.00 10.79 ? ? ? ? ? ? 10 TYR A CE2 1 +ATOM 78 C CZ . TYR A 1 10 ? 72.768 25.382 26.220 1.00 11.54 ? ? ? ? ? ? 10 TYR A CZ 1 +ATOM 79 O OH . TYR A 1 10 ? 72.141 24.821 25.142 1.00 13.39 ? ? ? ? ? ? 10 TYR A OH 1 +ATOM 80 N N . CYS A 1 11 ? 76.910 28.525 31.040 1.00 7.48 ? ? ? ? ? ? 11 CYS A N 1 +ATOM 81 C CA . CYS A 1 11 ? 77.786 29.413 31.787 1.00 6.57 ? ? ? ? ? ? 11 CYS A CA 1 +ATOM 82 C C . CYS A 1 11 ? 78.971 28.767 32.537 1.00 5.85 ? ? ? ? ? ? 11 CYS A C 1 +ATOM 83 O O . CYS A 1 11 ? 79.159 27.562 32.502 1.00 4.79 ? ? ? ? ? ? 11 CYS A O 1 +ATOM 84 C CB . CYS A 1 11 ? 76.971 30.376 32.643 1.00 8.81 ? ? ? ? ? ? 11 CYS A CB 1 +ATOM 85 S SG . CYS A 1 11 ? 76.427 29.839 34.281 1.00 10.67 ? ? ? ? ? ? 11 CYS A SG 1 +ATOM 86 N N . ALA A 1 12 ? 79.852 29.581 33.108 1.00 7.23 ? ? ? ? ? ? 12 ALA A N 1 +ATOM 87 C CA . ALA A 1 12 ? 81.016 29.064 33.830 1.00 6.10 ? ? ? ? ? ? 12 ALA A CA 1 +ATOM 88 C C . ALA A 1 12 ? 80.757 28.635 35.267 1.00 6.03 ? ? ? ? ? ? 12 ALA A C 1 +ATOM 89 O O . ALA A 1 12 ? 81.692 28.497 36.046 1.00 5.99 ? ? ? ? ? ? 12 ALA A O 1 +ATOM 90 C CB . ALA A 1 12 ? 82.144 30.068 33.796 1.00 4.76 ? ? ? ? ? ? 12 ALA A CB 1 +ATOM 91 N N . SER A 1 13 ? 79.502 28.401 35.626 1.00 6.35 ? ? ? ? ? ? 13 SER A N 1 +ATOM 92 C CA . SER A 1 13 ? 79.202 27.978 36.984 1.00 7.00 ? ? ? ? ? ? 13 SER A CA 1 +ATOM 93 C C . SER A 1 13 ? 79.780 26.585 37.170 1.00 7.90 ? ? ? ? ? ? 13 SER A C 1 +ATOM 94 O O . SER A 1 13 ? 80.098 26.192 38.284 1.00 8.69 ? ? ? ? ? ? 13 SER A O 1 +ATOM 95 C CB . SER A 1 13 ? 77.700 27.983 37.226 1.00 8.25 ? ? ? ? ? ? 13 SER A CB 1 +ATOM 96 O OG . SER A 1 13 ? 77.152 29.275 36.993 1.00 11.86 ? ? ? ? ? ? 13 SER A OG 1 +ATOM 97 N N . GLY A 1 14 ? 79.891 25.842 36.070 1.00 8.07 ? ? ? ? ? ? 14 GLY A N 1 +ATOM 98 C CA . GLY A 1 14 ? 80.464 24.512 36.113 1.00 9.24 ? ? ? ? ? ? 14 GLY A CA 1 +ATOM 99 C C . GLY A 1 14 ? 79.571 23.473 36.743 1.00 11.39 ? ? ? ? ? ? 14 GLY A C 1 +ATOM 100 O O . GLY A 1 14 ? 80.049 22.531 37.412 1.00 11.36 ? ? ? ? ? ? 14 GLY A O 1 +ATOM 101 N N . CYS A 1 15 ? 78.268 23.639 36.532 1.00 11.42 ? ? ? ? ? ? 15 CYS A N 1 +ATOM 102 C CA . CYS A 1 15 ? 77.285 22.701 37.069 1.00 11.89 ? ? ? ? ? ? 15 CYS A CA 1 +ATOM 103 C C . CYS A 1 15 ? 77.440 21.306 36.452 1.00 11.67 ? ? ? ? ? ? 15 CYS A C 1 +ATOM 104 O O . CYS A 1 15 ? 77.611 21.180 35.242 1.00 11.28 ? ? ? ? ? ? 15 CYS A O 1 +ATOM 105 C CB . CYS A 1 15 ? 75.861 23.224 36.841 1.00 10.52 ? ? ? ? ? ? 15 CYS A CB 1 +ATOM 106 S SG . CYS A 1 15 ? 75.444 24.758 37.739 1.00 9.64 ? ? ? ? ? ? 15 CYS A SG 1 +ATOM 107 N N . LYS A 1 16 ? 77.469 20.287 37.313 1.00 12.41 ? ? ? ? ? ? 16 LYS A N 1 +ATOM 108 C CA . LYS A 1 16 ? 77.566 18.881 36.909 1.00 12.04 ? ? ? ? ? ? 16 LYS A CA 1 +ATOM 109 C C . LYS A 1 16 ? 76.156 18.340 36.606 1.00 13.46 ? ? ? ? ? ? 16 LYS A C 1 +ATOM 110 O O . LYS A 1 16 ? 75.238 18.457 37.434 1.00 13.62 ? ? ? ? ? ? 16 LYS A O 1 +ATOM 111 C CB . LYS A 1 16 ? 78.175 18.061 38.039 1.00 10.56 ? ? ? ? ? ? 16 LYS A CB 1 +ATOM 112 C CG . LYS A 1 16 ? 79.676 18.151 38.177 1.00 10.85 ? ? ? ? ? ? 16 LYS A CG 1 +ATOM 113 C CD . LYS A 1 16 ? 80.418 17.345 37.122 1.00 8.91 ? ? ? ? ? ? 16 LYS A CD 1 +ATOM 114 C CE . LYS A 1 16 ? 81.911 17.339 37.446 1.00 10.25 ? ? ? ? ? ? 16 LYS A CE 1 +ATOM 115 N NZ . LYS A 1 16 ? 82.818 16.677 36.464 1.00 10.07 ? ? ? ? ? ? 16 LYS A NZ 1 +ATOM 116 N N . ILE A 1 17 ? 76.010 17.702 35.451 1.00 14.25 ? ? ? ? ? ? 17 ILE A N 1 +ATOM 117 C CA . ILE A 1 17 ? 74.744 17.146 34.977 1.00 16.36 ? ? ? ? ? ? 17 ILE A CA 1 +ATOM 118 C C . ILE A 1 17 ? 74.831 15.635 34.742 1.00 18.80 ? ? ? ? ? ? 17 ILE A C 1 +ATOM 119 O O . ILE A 1 17 ? 75.912 15.111 34.413 1.00 20.85 ? ? ? ? ? ? 17 ILE A O 1 +ATOM 120 C CB . ILE A 1 17 ? 74.376 17.777 33.600 1.00 15.80 ? ? ? ? ? ? 17 ILE A CB 1 +ATOM 121 C CG1 . ILE A 1 17 ? 73.906 19.213 33.766 1.00 16.74 ? ? ? ? ? ? 17 ILE A CG1 1 +ATOM 122 C CG2 . ILE A 1 17 ? 73.318 16.949 32.842 1.00 15.52 ? ? ? ? ? ? 17 ILE A CG2 1 +ATOM 123 C CD1 . ILE A 1 17 ? 73.472 19.804 32.445 1.00 20.20 ? ? ? ? ? ? 17 ILE A CD1 1 +ATOM 124 N N . ASN A 1 18 ? 73.693 14.952 34.911 1.00 18.64 ? ? ? ? ? ? 18 ASN A N 1 +ATOM 125 C CA . ASN A 1 18 ? 73.557 13.523 34.638 1.00 16.77 ? ? ? ? ? ? 18 ASN A CA 1 +ATOM 126 C C . ASN A 1 18 ? 72.631 13.541 33.442 1.00 18.04 ? ? ? ? ? ? 18 ASN A C 1 +ATOM 127 O O . ASN A 1 18 ? 71.503 14.040 33.538 1.00 18.74 ? ? ? ? ? ? 18 ASN A O 1 +ATOM 128 C CB . ASN A 1 18 ? 72.826 12.788 35.748 1.00 15.99 ? ? ? ? ? ? 18 ASN A CB 1 +ATOM 129 C CG . ASN A 1 18 ? 73.702 12.476 36.907 1.00 17.06 ? ? ? ? ? ? 18 ASN A CG 1 +ATOM 130 O OD1 . ASN A 1 18 ? 74.921 12.513 36.804 1.00 18.00 ? ? ? ? ? ? 18 ASN A OD1 1 +ATOM 131 N ND2 . ASN A 1 18 ? 73.090 12.180 38.039 1.00 16.10 ? ? ? ? ? ? 18 ASN A ND2 1 +ATOM 132 N N . LEU A 1 19 ? 73.133 13.123 32.290 1.00 18.11 ? ? ? ? ? ? 19 LEU A N 1 +ATOM 133 C CA . LEU A 1 19 ? 72.331 13.062 31.083 1.00 17.38 ? ? ? ? ? ? 19 LEU A CA 1 +ATOM 134 C C . LEU A 1 19 ? 71.880 11.621 31.039 1.00 17.17 ? ? ? ? ? ? 19 LEU A C 1 +ATOM 135 O O . LEU A 1 19 ? 72.720 10.732 31.045 1.00 17.68 ? ? ? ? ? ? 19 LEU A O 1 +ATOM 136 C CB . LEU A 1 19 ? 73.187 13.353 29.842 1.00 17.95 ? ? ? ? ? ? 19 LEU A CB 1 +ATOM 137 C CG . LEU A 1 19 ? 73.656 14.775 29.498 1.00 17.39 ? ? ? ? ? ? 19 LEU A CG 1 +ATOM 138 C CD1 . LEU A 1 19 ? 74.857 14.749 28.543 1.00 14.48 ? ? ? ? ? ? 19 LEU A CD1 1 +ATOM 139 C CD2 . LEU A 1 19 ? 72.505 15.522 28.874 1.00 17.68 ? ? ? ? ? ? 19 LEU A CD2 1 +ATOM 140 N N . VAL A 1 20 ? 70.574 11.386 31.055 1.00 17.12 ? ? ? ? ? ? 20 VAL A N 1 +ATOM 141 C CA . VAL A 1 20 ? 70.040 10.030 31.003 1.00 18.56 ? ? ? ? ? ? 20 VAL A CA 1 +ATOM 142 C C . VAL A 1 20 ? 69.995 9.631 29.532 1.00 20.83 ? ? ? ? ? ? 20 VAL A C 1 +ATOM 143 O O . VAL A 1 20 ? 69.382 10.338 28.735 1.00 23.67 ? ? ? ? ? ? 20 VAL A O 1 +ATOM 144 C CB . VAL A 1 20 ? 68.582 9.964 31.543 1.00 17.48 ? ? ? ? ? ? 20 VAL A CB 1 +ATOM 145 C CG1 . VAL A 1 20 ? 68.120 8.533 31.649 1.00 12.38 ? ? ? ? ? ? 20 VAL A CG1 1 +ATOM 146 C CG2 . VAL A 1 20 ? 68.463 10.682 32.873 1.00 17.16 ? ? ? ? ? ? 20 VAL A CG2 1 +ATOM 147 N N . VAL A 1 21 ? 70.684 8.562 29.151 1.00 22.11 ? ? ? ? ? ? 21 VAL A N 1 +ATOM 148 C CA . VAL A 1 21 ? 70.653 8.109 27.772 1.00 24.31 ? ? ? ? ? ? 21 VAL A CA 1 +ATOM 149 C C . VAL A 1 21 ? 69.834 6.843 27.758 1.00 27.10 ? ? ? ? ? ? 21 VAL A C 1 +ATOM 150 O O . VAL A 1 21 ? 69.899 6.050 28.696 1.00 27.74 ? ? ? ? ? ? 21 VAL A O 1 +ATOM 151 C CB . VAL A 1 21 ? 72.059 7.791 27.202 1.00 23.79 ? ? ? ? ? ? 21 VAL A CB 1 +ATOM 152 C CG1 . VAL A 1 21 ? 71.943 7.200 25.788 1.00 22.56 ? ? ? ? ? ? 21 VAL A CG1 1 +ATOM 153 C CG2 . VAL A 1 21 ? 72.896 9.044 27.159 1.00 24.60 ? ? ? ? ? ? 21 VAL A CG2 1 +ATOM 154 N N . ASP A 1 22 ? 69.020 6.688 26.722 1.00 30.44 ? ? ? ? ? ? 22 ASP A N 1 +ATOM 155 C CA . ASP A 1 22 ? 68.190 5.514 26.558 1.00 33.28 ? ? ? ? ? ? 22 ASP A CA 1 +ATOM 156 C C . ASP A 1 22 ? 68.269 5.143 25.086 1.00 35.17 ? ? ? ? ? ? 22 ASP A C 1 +ATOM 157 O O . ASP A 1 22 ? 67.928 5.948 24.199 1.00 34.57 ? ? ? ? ? ? 22 ASP A O 1 +ATOM 158 C CB . ASP A 1 22 ? 66.750 5.771 26.995 1.00 34.31 ? ? ? ? ? ? 22 ASP A CB 1 +ATOM 159 C CG . ASP A 1 22 ? 65.880 4.525 26.867 1.00 37.37 ? ? ? ? ? ? 22 ASP A CG 1 +ATOM 160 O OD1 . ASP A 1 22 ? 66.424 3.385 26.868 1.00 35.25 ? ? ? ? ? ? 22 ASP A OD1 1 +ATOM 161 O OD2 . ASP A 1 22 ? 64.646 4.693 26.746 1.00 39.28 ? ? ? ? ? ? 22 ASP A OD2 1 +ATOM 162 N N . ASN A 1 23 ? 68.702 3.902 24.853 1.00 37.39 ? ? ? ? ? ? 23 ASN A N 1 +ATOM 163 C CA . ASN A 1 23 ? 68.935 3.355 23.519 1.00 38.31 ? ? ? ? ? ? 23 ASN A CA 1 +ATOM 164 C C . ASN A 1 23 ? 70.160 4.116 23.043 1.00 37.74 ? ? ? ? ? ? 23 ASN A C 1 +ATOM 165 O O . ASN A 1 23 ? 71.205 4.040 23.699 1.00 40.79 ? ? ? ? ? ? 23 ASN A O 1 +ATOM 166 C CB . ASN A 1 23 ? 67.723 3.522 22.601 1.00 41.10 ? ? ? ? ? ? 23 ASN A CB 1 +ATOM 167 C CG . ASN A 1 23 ? 66.849 2.277 22.582 1.00 44.24 ? ? ? ? ? ? 23 ASN A CG 1 +ATOM 168 O OD1 . ASN A 1 23 ? 65.925 2.122 23.399 1.00 46.90 ? ? ? ? ? ? 23 ASN A OD1 1 +ATOM 169 N ND2 . ASN A 1 23 ? 67.167 1.356 21.679 1.00 44.81 ? ? ? ? ? ? 23 ASN A ND2 1 +ATOM 170 N N . GLY A 1 24 ? 70.064 4.887 21.974 1.00 35.04 ? ? ? ? ? ? 24 GLY A N 1 +ATOM 171 C CA . GLY A 1 24 ? 71.244 5.631 21.576 1.00 32.94 ? ? ? ? ? ? 24 GLY A CA 1 +ATOM 172 C C . GLY A 1 24 ? 70.944 7.109 21.542 1.00 30.17 ? ? ? ? ? ? 24 GLY A C 1 +ATOM 173 O O . GLY A 1 24 ? 71.494 7.839 20.727 1.00 28.38 ? ? ? ? ? ? 24 GLY A O 1 +ATOM 174 N N . LYS A 1 25 ? 70.091 7.553 22.455 1.00 29.74 ? ? ? ? ? ? 25 LYS A N 1 +ATOM 175 C CA . LYS A 1 25 ? 69.668 8.940 22.474 1.00 28.86 ? ? ? ? ? ? 25 LYS A CA 1 +ATOM 176 C C . LYS A 1 25 ? 69.648 9.561 23.865 1.00 28.27 ? ? ? ? ? ? 25 LYS A C 1 +ATOM 177 O O . LYS A 1 25 ? 69.442 8.860 24.858 1.00 26.35 ? ? ? ? ? ? 25 LYS A O 1 +ATOM 178 C CB . LYS A 1 25 ? 68.262 9.017 21.887 1.00 28.61 ? ? ? ? ? ? 25 LYS A CB 1 +ATOM 179 C CG . LYS A 1 25 ? 68.107 8.356 20.541 1.00 30.81 ? ? ? ? ? ? 25 LYS A CG 1 +ATOM 180 C CD . LYS A 1 25 ? 66.767 7.658 20.426 1.00 33.37 ? ? ? ? ? ? 25 LYS A CD 1 +ATOM 181 C CE . LYS A 1 25 ? 66.268 7.674 18.993 1.00 36.38 ? ? ? ? ? ? 25 LYS A CE 1 +ATOM 182 N NZ . LYS A 1 25 ? 66.075 9.080 18.470 1.00 39.20 ? ? ? ? ? ? 25 LYS A NZ 1 +ATOM 183 N N . ILE A 1 26 ? 69.897 10.872 23.930 1.00 27.96 ? ? ? ? ? ? 26 ILE A N 1 +ATOM 184 C CA . ILE A 1 26 ? 69.837 11.583 25.203 1.00 28.22 ? ? ? ? ? ? 26 ILE A CA 1 +ATOM 185 C C . ILE A 1 26 ? 68.356 11.793 25.443 1.00 27.82 ? ? ? ? ? ? 26 ILE A C 1 +ATOM 186 O O . ILE A 1 26 ? 67.631 12.316 24.587 1.00 26.95 ? ? ? ? ? ? 26 ILE A O 1 +ATOM 187 C CB . ILE A 1 26 ? 70.541 12.944 25.191 1.00 28.64 ? ? ? ? ? ? 26 ILE A CB 1 +ATOM 188 C CG1 . ILE A 1 26 ? 72.064 12.746 25.233 1.00 26.91 ? ? ? ? ? ? 26 ILE A CG1 1 +ATOM 189 C CG2 . ILE A 1 26 ? 70.061 13.766 26.407 1.00 28.85 ? ? ? ? ? ? 26 ILE A CG2 1 +ATOM 190 C CD1 . ILE A 1 26 ? 72.854 13.918 24.737 1.00 23.69 ? ? ? ? ? ? 26 ILE A CD1 1 +ATOM 191 N N . VAL A 1 27 ? 67.936 11.400 26.633 1.00 27.14 ? ? ? ? ? ? 27 VAL A N 1 +ATOM 192 C CA . VAL A 1 27 ? 66.545 11.431 27.020 1.00 26.20 ? ? ? ? ? ? 27 VAL A CA 1 +ATOM 193 C C . VAL A 1 27 ? 66.134 12.561 27.959 1.00 25.99 ? ? ? ? ? ? 27 VAL A C 1 +ATOM 194 O O . VAL A 1 27 ? 65.068 13.167 27.802 1.00 26.17 ? ? ? ? ? ? 27 VAL A O 1 +ATOM 195 C CB . VAL A 1 27 ? 66.202 10.050 27.602 1.00 24.53 ? ? ? ? ? ? 27 VAL A CB 1 +ATOM 196 C CG1 . VAL A 1 27 ? 65.574 10.143 28.959 1.00 23.95 ? ? ? ? ? ? 27 VAL A CG1 1 +ATOM 197 C CG2 . VAL A 1 27 ? 65.352 9.315 26.648 1.00 23.76 ? ? ? ? ? ? 27 VAL A CG2 1 +ATOM 198 N N . ARG A 1 28 ? 67.014 12.889 28.890 1.00 25.70 ? ? ? ? ? ? 28 ARG A N 1 +ATOM 199 C CA . ARG A 1 28 ? 66.715 13.911 29.872 1.00 24.59 ? ? ? ? ? ? 28 ARG A CA 1 +ATOM 200 C C . ARG A 1 28 ? 68.023 14.310 30.550 1.00 25.29 ? ? ? ? ? ? 28 ARG A C 1 +ATOM 201 O O . ARG A 1 28 ? 69.039 13.598 30.418 1.00 24.61 ? ? ? ? ? ? 28 ARG A O 1 +ATOM 202 C CB . ARG A 1 28 ? 65.703 13.333 30.869 1.00 22.94 ? ? ? ? ? ? 28 ARG A CB 1 +ATOM 203 C CG . ARG A 1 28 ? 65.704 13.903 32.251 1.00 21.95 ? ? ? ? ? ? 28 ARG A CG 1 +ATOM 204 C CD . ARG A 1 28 ? 64.547 13.339 33.037 1.00 22.69 ? ? ? ? ? ? 28 ARG A CD 1 +ATOM 205 N NE . ARG A 1 28 ? 64.655 11.891 33.149 1.00 23.43 ? ? ? ? ? ? 28 ARG A NE 1 +ATOM 206 C CZ . ARG A 1 28 ? 65.354 11.261 34.094 1.00 25.30 ? ? ? ? ? ? 28 ARG A CZ 1 +ATOM 207 N NH1 . ARG A 1 28 ? 66.010 11.954 35.024 1.00 23.59 ? ? ? ? ? ? 28 ARG A NH1 1 +ATOM 208 N NH2 . ARG A 1 28 ? 65.405 9.927 34.101 1.00 25.43 ? ? ? ? ? ? 28 ARG A NH2 1 +ATOM 209 N N . ALA A 1 29 ? 67.998 15.479 31.197 1.00 24.08 ? ? ? ? ? ? 29 ALA A N 1 +ATOM 210 C CA . ALA A 1 29 ? 69.130 16.050 31.904 1.00 22.52 ? ? ? ? ? ? 29 ALA A CA 1 +ATOM 211 C C . ALA A 1 29 ? 68.695 16.284 33.326 1.00 22.90 ? ? ? ? ? ? 29 ALA A C 1 +ATOM 212 O O . ALA A 1 29 ? 67.579 16.712 33.570 1.00 25.45 ? ? ? ? ? ? 29 ALA A O 1 +ATOM 213 C CB . ALA A 1 29 ? 69.499 17.370 31.281 1.00 22.58 ? ? ? ? ? ? 29 ALA A CB 1 +ATOM 214 N N . GLU A 1 30 ? 69.561 16.006 34.278 1.00 22.86 ? ? ? ? ? ? 30 GLU A N 1 +ATOM 215 C CA . GLU A 1 30 ? 69.221 16.226 35.673 1.00 21.56 ? ? ? ? ? ? 30 GLU A CA 1 +ATOM 216 C C . GLU A 1 30 ? 70.471 16.611 36.441 1.00 20.13 ? ? ? ? ? ? 30 GLU A C 1 +ATOM 217 O O . GLU A 1 30 ? 71.563 16.104 36.169 1.00 20.50 ? ? ? ? ? ? 30 GLU A O 1 +ATOM 218 C CB . GLU A 1 30 ? 68.578 14.977 36.280 1.00 23.78 ? ? ? ? ? ? 30 GLU A CB 1 +ATOM 219 C CG . GLU A 1 30 ? 69.339 13.684 36.038 1.00 26.26 ? ? ? ? ? ? 30 GLU A CG 1 +ATOM 220 C CD . GLU A 1 30 ? 68.968 12.610 37.039 1.00 27.37 ? ? ? ? ? ? 30 GLU A CD 1 +ATOM 221 O OE1 . GLU A 1 30 ? 67.856 12.050 36.930 1.00 28.22 ? ? ? ? ? ? 30 GLU A OE1 1 +ATOM 222 O OE2 . GLU A 1 30 ? 69.786 12.339 37.946 1.00 28.01 ? ? ? ? ? ? 30 GLU A OE2 1 +ATOM 223 N N . ALA A 1 31 ? 70.325 17.540 37.370 1.00 17.77 ? ? ? ? ? ? 31 ALA A N 1 +ATOM 224 C CA . ALA A 1 31 ? 71.468 17.974 38.151 1.00 17.33 ? ? ? ? ? ? 31 ALA A CA 1 +ATOM 225 C C . ALA A 1 31 ? 72.205 16.805 38.793 1.00 16.15 ? ? ? ? ? ? 31 ALA A C 1 +ATOM 226 O O . ALA A 1 31 ? 71.605 15.806 39.122 1.00 16.80 ? ? ? ? ? ? 31 ALA A O 1 +ATOM 227 C CB . ALA A 1 31 ? 71.027 18.946 39.209 1.00 16.48 ? ? ? ? ? ? 31 ALA A CB 1 +ATOM 228 N N . ALA A 1 32 ? 73.519 16.928 38.904 1.00 15.93 ? ? ? ? ? ? 32 ALA A N 1 +ATOM 229 C CA . ALA A 1 32 ? 74.367 15.927 39.528 1.00 14.39 ? ? ? ? ? ? 32 ALA A CA 1 +ATOM 230 C C . ALA A 1 32 ? 74.911 16.629 40.767 1.00 13.10 ? ? ? ? ? ? 32 ALA A C 1 +ATOM 231 O O . ALA A 1 32 ? 74.755 17.834 40.893 1.00 12.71 ? ? ? ? ? ? 32 ALA A O 1 +ATOM 232 C CB . ALA A 1 32 ? 75.496 15.545 38.596 1.00 14.67 ? ? ? ? ? ? 32 ALA A CB 1 +ATOM 233 N N . GLN A 1 33 ? 75.510 15.900 41.701 1.00 13.31 ? ? ? ? ? ? 33 GLN A N 1 +ATOM 234 C CA . GLN A 1 33 ? 76.040 16.547 42.894 1.00 13.40 ? ? ? ? ? ? 33 GLN A CA 1 +ATOM 235 C C . GLN A 1 33 ? 77.446 17.115 42.644 1.00 14.79 ? ? ? ? ? ? 33 GLN A C 1 +ATOM 236 O O . GLN A 1 33 ? 78.435 16.646 43.216 1.00 16.50 ? ? ? ? ? ? 33 GLN A O 1 +ATOM 237 C CB . GLN A 1 33 ? 76.054 15.594 44.088 1.00 12.32 ? ? ? ? ? ? 33 GLN A CB 1 +ATOM 238 C CG . GLN A 1 33 ? 74.691 15.079 44.522 1.00 13.95 ? ? ? ? ? ? 33 GLN A CG 1 +ATOM 239 C CD . GLN A 1 33 ? 73.664 16.186 44.741 1.00 15.02 ? ? ? ? ? ? 33 GLN A CD 1 +ATOM 240 O OE1 . GLN A 1 33 ? 73.928 17.157 45.450 1.00 12.94 ? ? ? ? ? ? 33 GLN A OE1 1 +ATOM 241 N NE2 . GLN A 1 33 ? 72.480 16.038 44.124 1.00 12.69 ? ? ? ? ? ? 33 GLN A NE2 1 +ATOM 242 N N . GLY A 1 34 ? 77.529 18.089 41.746 1.00 14.99 ? ? ? ? ? ? 34 GLY A N 1 +ATOM 243 C CA . GLY A 1 34 ? 78.791 18.729 41.452 1.00 15.83 ? ? ? ? ? ? 34 GLY A CA 1 +ATOM 244 C C . GLY A 1 34 ? 79.191 19.597 42.646 1.00 18.04 ? ? ? ? ? ? 34 GLY A C 1 +ATOM 245 O O . GLY A 1 34 ? 78.383 19.821 43.561 1.00 18.01 ? ? ? ? ? ? 34 GLY A O 1 +ATOM 246 N N . LYS A 1 35 ? 80.400 20.156 42.586 1.00 17.09 ? ? ? ? ? ? 35 LYS A N 1 +ATOM 247 C CA . LYS A 1 35 ? 80.960 20.968 43.650 1.00 16.62 ? ? ? ? ? ? 35 LYS A CA 1 +ATOM 248 C C . LYS A 1 35 ? 80.288 22.328 43.782 1.00 17.22 ? ? ? ? ? ? 35 LYS A C 1 +ATOM 249 O O . LYS A 1 35 ? 80.038 22.795 44.890 1.00 17.76 ? ? ? ? ? ? 35 LYS A O 1 +ATOM 250 C CB . LYS A 1 35 ? 82.476 21.107 43.418 1.00 17.15 ? ? ? ? ? ? 35 LYS A CB 1 +ATOM 251 C CG . LYS A 1 35 ? 83.247 22.003 44.380 1.00 14.86 ? ? ? ? ? ? 35 LYS A CG 1 +ATOM 252 C CD . LYS A 1 35 ? 83.118 21.528 45.779 1.00 14.22 ? ? ? ? ? ? 35 LYS A CD 1 +ATOM 253 C CE . LYS A 1 35 ? 84.001 22.310 46.707 1.00 15.92 ? ? ? ? ? ? 35 LYS A CE 1 +ATOM 254 N NZ . LYS A 1 35 ? 85.272 21.582 46.986 1.00 20.82 ? ? ? ? ? ? 35 LYS A NZ 1 +ATOM 255 N N . THR A 1 36 ? 79.971 22.948 42.651 1.00 17.56 ? ? ? ? ? ? 36 THR A N 1 +ATOM 256 C CA . THR A 1 36 ? 79.333 24.264 42.653 1.00 16.86 ? ? ? ? ? ? 36 THR A CA 1 +ATOM 257 C C . THR A 1 36 ? 77.816 24.218 42.796 1.00 17.27 ? ? ? ? ? ? 36 THR A C 1 +ATOM 258 O O . THR A 1 36 ? 77.241 24.885 43.656 1.00 17.88 ? ? ? ? ? ? 36 THR A O 1 +ATOM 259 C CB . THR A 1 36 ? 79.633 25.048 41.361 1.00 14.42 ? ? ? ? ? ? 36 THR A CB 1 +ATOM 260 O OG1 . THR A 1 36 ? 79.196 24.288 40.232 1.00 13.09 ? ? ? ? ? ? 36 THR A OG1 1 +ATOM 261 C CG2 . THR A 1 36 ? 81.104 25.308 41.236 1.00 14.28 ? ? ? ? ? ? 36 THR A CG2 1 +ATOM 262 N N . ASN A 1 37 ? 77.179 23.432 41.939 1.00 17.64 ? ? ? ? ? ? 37 ASN A N 1 +ATOM 263 C CA . ASN A 1 37 ? 75.726 23.327 41.901 1.00 17.40 ? ? ? ? ? ? 37 ASN A CA 1 +ATOM 264 C C . ASN A 1 37 ? 75.061 22.392 42.882 1.00 16.75 ? ? ? ? ? ? 37 ASN A C 1 +ATOM 265 O O . ASN A 1 37 ? 73.877 22.550 43.135 1.00 17.67 ? ? ? ? ? ? 37 ASN A O 1 +ATOM 266 C CB . ASN A 1 37 ? 75.266 22.923 40.506 1.00 17.55 ? ? ? ? ? ? 37 ASN A CB 1 +ATOM 267 C CG . ASN A 1 37 ? 75.624 21.514 40.193 1.00 16.61 ? ? ? ? ? ? 37 ASN A CG 1 +ATOM 268 O OD1 . ASN A 1 37 ? 76.700 21.061 40.569 1.00 17.72 ? ? ? ? ? ? 37 ASN A OD1 1 +ATOM 269 N ND2 . ASN A 1 37 ? 74.727 20.791 39.542 1.00 17.21 ? ? ? ? ? ? 37 ASN A ND2 1 +ATOM 270 N N . GLN A 1 38 ? 75.742 21.328 43.286 1.00 15.92 ? ? ? ? ? ? 38 GLN A N 1 +ATOM 271 C CA . GLN A 1 38 ? 75.163 20.397 44.245 1.00 15.60 ? ? ? ? ? ? 38 GLN A CA 1 +ATOM 272 C C . GLN A 1 38 ? 73.682 20.066 44.033 1.00 15.30 ? ? ? ? ? ? 38 GLN A C 1 +ATOM 273 O O . GLN A 1 38 ? 72.819 20.510 44.792 1.00 14.38 ? ? ? ? ? ? 38 GLN A O 1 +ATOM 274 C CB . GLN A 1 38 ? 75.341 20.926 45.650 1.00 16.29 ? ? ? ? ? ? 38 GLN A CB 1 +ATOM 275 C CG . GLN A 1 38 ? 76.746 20.819 46.168 1.00 24.24 ? ? ? ? ? ? 38 GLN A CG 1 +ATOM 276 C CD . GLN A 1 38 ? 76.917 21.586 47.464 1.00 29.20 ? ? ? ? ? ? 38 GLN A CD 1 +ATOM 277 O OE1 . GLN A 1 38 ? 76.454 21.142 48.534 1.00 33.05 ? ? ? ? ? ? 38 GLN A OE1 1 +ATOM 278 N NE2 . GLN A 1 38 ? 77.545 22.768 47.381 1.00 28.18 ? ? ? ? ? ? 38 GLN A NE2 1 +ATOM 279 N N . GLY A 1 39 ? 73.380 19.354 42.956 1.00 14.46 ? ? ? ? ? ? 39 GLY A N 1 +ATOM 280 C CA . GLY A 1 39 ? 72.007 18.966 42.723 1.00 13.89 ? ? ? ? ? ? 39 GLY A CA 1 +ATOM 281 C C . GLY A 1 39 ? 71.076 19.991 42.115 1.00 13.33 ? ? ? ? ? ? 39 GLY A C 1 +ATOM 282 O O . GLY A 1 39 ? 69.898 19.705 41.897 1.00 12.93 ? ? ? ? ? ? 39 GLY A O 1 +ATOM 283 N N . THR A 1 40 ? 71.566 21.186 41.834 1.00 13.08 ? ? ? ? ? ? 40 THR A N 1 +ATOM 284 C CA . THR A 1 40 ? 70.697 22.154 41.209 1.00 10.91 ? ? ? ? ? ? 40 THR A CA 1 +ATOM 285 C C . THR A 1 40 ? 71.202 22.519 39.832 1.00 10.46 ? ? ? ? ? ? 40 THR A C 1 +ATOM 286 O O . THR A 1 40 ? 72.355 22.296 39.504 1.00 9.46 ? ? ? ? ? ? 40 THR A O 1 +ATOM 287 C CB . THR A 1 40 ? 70.602 23.414 42.016 1.00 10.09 ? ? ? ? ? ? 40 THR A CB 1 +ATOM 288 O OG1 . THR A 1 40 ? 71.827 24.150 41.905 1.00 11.23 ? ? ? ? ? ? 40 THR A OG1 1 +ATOM 289 C CG2 . THR A 1 40 ? 70.330 23.082 43.436 1.00 8.32 ? ? ? ? ? ? 40 THR A CG2 1 +ATOM 290 N N . LEU A 1 41 ? 70.310 23.092 39.041 1.00 11.29 ? ? ? ? ? ? 41 LEU A N 1 +ATOM 291 C CA . LEU A 1 41 ? 70.588 23.558 37.693 1.00 12.10 ? ? ? ? ? ? 41 LEU A CA 1 +ATOM 292 C C . LEU A 1 41 ? 69.552 24.641 37.450 1.00 11.96 ? ? ? ? ? ? 41 LEU A C 1 +ATOM 293 O O . LEU A 1 41 ? 68.568 24.759 38.191 1.00 11.19 ? ? ? ? ? ? 41 LEU A O 1 +ATOM 294 C CB . LEU A 1 41 ? 70.367 22.452 36.663 1.00 11.55 ? ? ? ? ? ? 41 LEU A CB 1 +ATOM 295 C CG . LEU A 1 41 ? 71.291 21.243 36.576 1.00 12.62 ? ? ? ? ? ? 41 LEU A CG 1 +ATOM 296 C CD1 . LEU A 1 41 ? 70.675 20.239 35.615 1.00 10.19 ? ? ? ? ? ? 41 LEU A CD1 1 +ATOM 297 C CD2 . LEU A 1 41 ? 72.693 21.657 36.114 1.00 12.93 ? ? ? ? ? ? 41 LEU A CD2 1 +ATOM 298 N N . CYS A 1 42 ? 69.757 25.414 36.396 1.00 12.27 ? ? ? ? ? ? 42 CYS A N 1 +ATOM 299 C CA . CYS A 1 42 ? 68.810 26.452 36.047 1.00 13.24 ? ? ? ? ? ? 42 CYS A CA 1 +ATOM 300 C C . CYS A 1 42 ? 68.144 25.974 34.771 1.00 13.08 ? ? ? ? ? ? 42 CYS A C 1 +ATOM 301 O O . CYS A 1 42 ? 68.565 24.975 34.203 1.00 14.16 ? ? ? ? ? ? 42 CYS A O 1 +ATOM 302 C CB . CYS A 1 42 ? 69.528 27.781 35.828 1.00 12.84 ? ? ? ? ? ? 42 CYS A CB 1 +ATOM 303 S SG . CYS A 1 42 ? 70.439 27.856 34.274 1.00 15.29 ? ? ? ? ? ? 42 CYS A SG 1 +ATOM 304 N N . LEU A 1 43 ? 67.103 26.674 34.343 1.00 14.36 ? ? ? ? ? ? 43 LEU A N 1 +ATOM 305 C CA . LEU A 1 43 ? 66.343 26.350 33.134 1.00 15.67 ? ? ? ? ? ? 43 LEU A CA 1 +ATOM 306 C C . LEU A 1 43 ? 67.197 25.872 31.956 1.00 15.88 ? ? ? ? ? ? 43 LEU A C 1 +ATOM 307 O O . LEU A 1 43 ? 66.896 24.856 31.354 1.00 16.88 ? ? ? ? ? ? 43 LEU A O 1 +ATOM 308 C CB . LEU A 1 43 ? 65.541 27.578 32.688 1.00 17.89 ? ? ? ? ? ? 43 LEU A CB 1 +ATOM 309 C CG . LEU A 1 43 ? 64.199 27.435 31.955 1.00 18.38 ? ? ? ? ? ? 43 LEU A CG 1 +ATOM 310 C CD1 . LEU A 1 43 ? 63.104 27.263 32.970 1.00 15.49 ? ? ? ? ? ? 43 LEU A CD1 1 +ATOM 311 C CD2 . LEU A 1 43 ? 63.941 28.697 31.124 1.00 17.35 ? ? ? ? ? ? 43 LEU A CD2 1 +ATOM 312 N N . LYS A 1 44 ? 68.261 26.591 31.626 1.00 17.06 ? ? ? ? ? ? 44 LYS A N 1 +ATOM 313 C CA . LYS A 1 44 ? 69.124 26.199 30.503 1.00 17.96 ? ? ? ? ? ? 44 LYS A CA 1 +ATOM 314 C C . LYS A 1 44 ? 69.827 24.856 30.698 1.00 18.35 ? ? ? ? ? ? 44 LYS A C 1 +ATOM 315 O O . LYS A 1 44 ? 69.846 24.021 29.801 1.00 19.59 ? ? ? ? ? ? 44 LYS A O 1 +ATOM 316 C CB . LYS A 1 44 ? 70.167 27.282 30.224 1.00 18.72 ? ? ? ? ? ? 44 LYS A CB 1 +ATOM 317 C CG . LYS A 1 44 ? 69.623 28.569 29.616 1.00 19.97 ? ? ? ? ? ? 44 LYS A CG 1 +ATOM 318 C CD . LYS A 1 44 ? 70.686 29.636 29.613 1.00 19.74 ? ? ? ? ? ? 44 LYS A CD 1 +ATOM 319 C CE . LYS A 1 44 ? 71.226 29.781 31.015 1.00 20.56 ? ? ? ? ? ? 44 LYS A CE 1 +ATOM 320 N NZ . LYS A 1 44 ? 72.208 30.870 31.121 1.00 22.37 ? ? ? ? ? ? 44 LYS A NZ 1 +ATOM 321 N N . GLY A 1 45 ? 70.432 24.651 31.859 1.00 18.84 ? ? ? ? ? ? 45 GLY A N 1 +ATOM 322 C CA . GLY A 1 45 ? 71.110 23.395 32.088 1.00 18.22 ? ? ? ? ? ? 45 GLY A CA 1 +ATOM 323 C C . GLY A 1 45 ? 70.110 22.272 31.946 1.00 18.95 ? ? ? ? ? ? 45 GLY A C 1 +ATOM 324 O O . GLY A 1 45 ? 70.395 21.276 31.286 1.00 19.14 ? ? ? ? ? ? 45 GLY A O 1 +ATOM 325 N N . TYR A 1 46 ? 68.912 22.488 32.494 1.00 19.15 ? ? ? ? ? ? 46 TYR A N 1 +ATOM 326 C CA . TYR A 1 46 ? 67.804 21.519 32.497 1.00 19.11 ? ? ? ? ? ? 46 TYR A CA 1 +ATOM 327 C C . TYR A 1 46 ? 67.153 21.269 31.149 1.00 18.38 ? ? ? ? ? ? 46 TYR A C 1 +ATOM 328 O O . TYR A 1 46 ? 66.897 20.132 30.790 1.00 19.29 ? ? ? ? ? ? 46 TYR A O 1 +ATOM 329 C CB . TYR A 1 46 ? 66.711 22.004 33.456 1.00 20.77 ? ? ? ? ? ? 46 TYR A CB 1 +ATOM 330 C CG . TYR A 1 46 ? 65.889 20.920 34.139 1.00 23.55 ? ? ? ? ? ? 46 TYR A CG 1 +ATOM 331 C CD1 . TYR A 1 46 ? 64.733 20.380 33.530 1.00 24.59 ? ? ? ? ? ? 46 TYR A CD1 1 +ATOM 332 C CD2 . TYR A 1 46 ? 66.231 20.479 35.430 1.00 23.89 ? ? ? ? ? ? 46 TYR A CD2 1 +ATOM 333 C CE1 . TYR A 1 46 ? 63.930 19.423 34.199 1.00 25.08 ? ? ? ? ? ? 46 TYR A CE1 1 +ATOM 334 C CE2 . TYR A 1 46 ? 65.452 19.538 36.104 1.00 25.62 ? ? ? ? ? ? 46 TYR A CE2 1 +ATOM 335 C CZ . TYR A 1 46 ? 64.298 19.012 35.494 1.00 26.61 ? ? ? ? ? ? 46 TYR A CZ 1 +ATOM 336 O OH . TYR A 1 46 ? 63.523 18.110 36.207 1.00 24.75 ? ? ? ? ? ? 46 TYR A OH 1 +ATOM 337 N N . TYR A 1 47 ? 66.878 22.335 30.410 1.00 18.17 ? ? ? ? ? ? 47 TYR A N 1 +ATOM 338 C CA . TYR A 1 47 ? 66.198 22.243 29.122 1.00 17.80 ? ? ? ? ? ? 47 TYR A CA 1 +ATOM 339 C C . TYR A 1 47 ? 67.057 22.414 27.863 1.00 19.12 ? ? ? ? ? ? 47 TYR A C 1 +ATOM 340 O O . TYR A 1 47 ? 66.672 21.965 26.775 1.00 21.30 ? ? ? ? ? ? 47 TYR A O 1 +ATOM 341 C CB . TYR A 1 47 ? 65.084 23.292 29.071 1.00 16.49 ? ? ? ? ? ? 47 TYR A CB 1 +ATOM 342 C CG . TYR A 1 47 ? 63.902 23.024 29.970 1.00 15.44 ? ? ? ? ? ? 47 TYR A CG 1 +ATOM 343 C CD1 . TYR A 1 47 ? 63.071 21.940 29.735 1.00 14.23 ? ? ? ? ? ? 47 TYR A CD1 1 +ATOM 344 C CD2 . TYR A 1 47 ? 63.579 23.882 31.021 1.00 15.04 ? ? ? ? ? ? 47 TYR A CD2 1 +ATOM 345 C CE1 . TYR A 1 47 ? 61.955 21.708 30.496 1.00 12.46 ? ? ? ? ? ? 47 TYR A CE1 1 +ATOM 346 C CE2 . TYR A 1 47 ? 62.449 23.651 31.797 1.00 14.57 ? ? ? ? ? ? 47 TYR A CE2 1 +ATOM 347 C CZ . TYR A 1 47 ? 61.641 22.555 31.517 1.00 13.18 ? ? ? ? ? ? 47 TYR A CZ 1 +ATOM 348 O OH . TYR A 1 47 ? 60.493 22.301 32.227 1.00 13.02 ? ? ? ? ? ? 47 TYR A OH 1 +ATOM 349 N N . GLY A 1 48 ? 68.201 23.067 27.986 1.00 18.07 ? ? ? ? ? ? 48 GLY A N 1 +ATOM 350 C CA . GLY A 1 48 ? 69.019 23.300 26.814 1.00 18.70 ? ? ? ? ? ? 48 GLY A CA 1 +ATOM 351 C C . GLY A 1 48 ? 69.928 22.223 26.245 1.00 19.78 ? ? ? ? ? ? 48 GLY A C 1 +ATOM 352 O O . GLY A 1 48 ? 71.067 22.543 25.937 1.00 21.42 ? ? ? ? ? ? 48 GLY A O 1 +ATOM 353 N N . TRP A 1 49 ? 69.464 20.983 26.057 1.00 20.09 ? ? ? ? ? ? 49 TRP A N 1 +ATOM 354 C CA . TRP A 1 49 ? 70.319 19.910 25.489 1.00 17.78 ? ? ? ? ? ? 49 TRP A CA 1 +ATOM 355 C C . TRP A 1 49 ? 69.773 19.249 24.222 1.00 17.20 ? ? ? ? ? ? 49 TRP A C 1 +ATOM 356 O O . TRP A 1 49 ? 70.481 18.508 23.536 1.00 15.05 ? ? ? ? ? ? 49 TRP A O 1 +ATOM 357 C CB . TRP A 1 49 ? 70.591 18.811 26.517 1.00 16.15 ? ? ? ? ? ? 49 TRP A CB 1 +ATOM 358 C CG . TRP A 1 49 ? 69.350 18.222 27.114 1.00 16.64 ? ? ? ? ? ? 49 TRP A CG 1 +ATOM 359 C CD1 . TRP A 1 49 ? 68.805 18.548 28.311 1.00 16.31 ? ? ? ? ? ? 49 TRP A CD1 1 +ATOM 360 C CD2 . TRP A 1 49 ? 68.462 17.257 26.520 1.00 15.36 ? ? ? ? ? ? 49 TRP A CD2 1 +ATOM 361 N NE1 . TRP A 1 49 ? 67.631 17.874 28.499 1.00 16.38 ? ? ? ? ? ? 49 TRP A NE1 1 +ATOM 362 C CE2 . TRP A 1 49 ? 67.394 17.069 27.419 1.00 14.49 ? ? ? ? ? ? 49 TRP A CE2 1 +ATOM 363 C CE3 . TRP A 1 49 ? 68.465 16.543 25.312 1.00 15.74 ? ? ? ? ? ? 49 TRP A CE3 1 +ATOM 364 C CZ2 . TRP A 1 49 ? 66.331 16.201 27.158 1.00 13.13 ? ? ? ? ? ? 49 TRP A CZ2 1 +ATOM 365 C CZ3 . TRP A 1 49 ? 67.408 15.680 25.040 1.00 15.65 ? ? ? ? ? ? 49 TRP A CZ3 1 +ATOM 366 C CH2 . TRP A 1 49 ? 66.349 15.517 25.968 1.00 15.62 ? ? ? ? ? ? 49 TRP A CH2 1 +ATOM 367 N N . ASP A 1 50 ? 68.519 19.502 23.888 1.00 18.13 ? ? ? ? ? ? 50 ASP A N 1 +ATOM 368 C CA . ASP A 1 50 ? 67.986 18.842 22.710 1.00 19.49 ? ? ? ? ? ? 50 ASP A CA 1 +ATOM 369 C C . ASP A 1 50 ? 68.447 19.433 21.384 1.00 19.59 ? ? ? ? ? ? 50 ASP A C 1 +ATOM 370 O O . ASP A 1 50 ? 67.909 19.083 20.345 1.00 20.99 ? ? ? ? ? ? 50 ASP A O 1 +ATOM 371 C CB . ASP A 1 50 ? 66.460 18.695 22.791 1.00 19.41 ? ? ? ? ? ? 50 ASP A CB 1 +ATOM 372 C CG . ASP A 1 50 ? 65.748 20.002 22.679 1.00 21.12 ? ? ? ? ? ? 50 ASP A CG 1 +ATOM 373 O OD1 . ASP A 1 50 ? 66.222 20.950 23.333 1.00 23.69 ? ? ? ? ? ? 50 ASP A OD1 1 +ATOM 374 O OD2 . ASP A 1 50 ? 64.721 20.090 21.946 1.00 22.79 ? ? ? ? ? ? 50 ASP A OD2 1 +ATOM 375 N N . PHE A 1 51 ? 69.466 20.300 21.418 1.00 19.87 ? ? ? ? ? ? 51 PHE A N 1 +ATOM 376 C CA . PHE A 1 51 ? 70.019 20.919 20.191 1.00 17.00 ? ? ? ? ? ? 51 PHE A CA 1 +ATOM 377 C C . PHE A 1 51 ? 70.992 19.939 19.524 1.00 16.51 ? ? ? ? ? ? 51 PHE A C 1 +ATOM 378 O O . PHE A 1 51 ? 71.439 20.169 18.413 1.00 14.74 ? ? ? ? ? ? 51 PHE A O 1 +ATOM 379 C CB . PHE A 1 51 ? 70.765 22.213 20.522 1.00 14.82 ? ? ? ? ? ? 51 PHE A CB 1 +ATOM 380 C CG . PHE A 1 51 ? 71.947 22.004 21.419 1.00 12.30 ? ? ? ? ? ? 51 PHE A CG 1 +ATOM 381 C CD1 . PHE A 1 51 ? 73.153 21.529 20.903 1.00 12.17 ? ? ? ? ? ? 51 PHE A CD1 1 +ATOM 382 C CD2 . PHE A 1 51 ? 71.830 22.193 22.786 1.00 11.26 ? ? ? ? ? ? 51 PHE A CD2 1 +ATOM 383 C CE1 . PHE A 1 51 ? 74.212 21.235 21.720 1.00 10.43 ? ? ? ? ? ? 51 PHE A CE1 1 +ATOM 384 C CE2 . PHE A 1 51 ? 72.889 21.900 23.626 1.00 12.56 ? ? ? ? ? ? 51 PHE A CE2 1 +ATOM 385 C CZ . PHE A 1 51 ? 74.084 21.415 23.089 1.00 12.89 ? ? ? ? ? ? 51 PHE A CZ 1 +ATOM 386 N N . ILE A 1 52 ? 71.397 18.912 20.269 1.00 17.09 ? ? ? ? ? ? 52 ILE A N 1 +ATOM 387 C CA . ILE A 1 52 ? 72.295 17.874 19.757 1.00 18.28 ? ? ? ? ? ? 52 ILE A CA 1 +ATOM 388 C C . ILE A 1 52 ? 71.536 17.090 18.694 1.00 18.18 ? ? ? ? ? ? 52 ILE A C 1 +ATOM 389 O O . ILE A 1 52 ? 72.127 16.622 17.719 1.00 18.15 ? ? ? ? ? ? 52 ILE A O 1 +ATOM 390 C CB . ILE A 1 52 ? 72.701 16.841 20.872 1.00 18.25 ? ? ? ? ? ? 52 ILE A CB 1 +ATOM 391 C CG1 . ILE A 1 52 ? 73.443 17.525 22.007 1.00 18.27 ? ? ? ? ? ? 52 ILE A CG1 1 +ATOM 392 C CG2 . ILE A 1 52 ? 73.607 15.765 20.314 1.00 18.30 ? ? ? ? ? ? 52 ILE A CG2 1 +ATOM 393 C CD1 . ILE A 1 52 ? 73.808 16.582 23.095 1.00 17.03 ? ? ? ? ? ? 52 ILE A CD1 1 +ATOM 394 N N . ASN A 1 53 ? 70.219 16.993 18.880 1.00 17.97 ? ? ? ? ? ? 53 ASN A N 1 +ATOM 395 C CA . ASN A 1 53 ? 69.355 16.241 17.974 1.00 18.57 ? ? ? ? ? ? 53 ASN A CA 1 +ATOM 396 C C . ASN A 1 53 ? 68.846 16.883 16.676 1.00 17.29 ? ? ? ? ? ? 53 ASN A C 1 +ATOM 397 O O . ASN A 1 53 ? 67.931 16.360 16.035 1.00 16.67 ? ? ? ? ? ? 53 ASN A O 1 +ATOM 398 C CB . ASN A 1 53 ? 68.228 15.588 18.764 1.00 20.13 ? ? ? ? ? ? 53 ASN A CB 1 +ATOM 399 C CG . ASN A 1 53 ? 68.745 14.524 19.702 1.00 22.32 ? ? ? ? ? ? 53 ASN A CG 1 +ATOM 400 O OD1 . ASN A 1 53 ? 69.364 13.549 19.263 1.00 24.72 ? ? ? ? ? ? 53 ASN A OD1 1 +ATOM 401 N ND2 . ASN A 1 53 ? 68.540 14.717 21.003 1.00 23.82 ? ? ? ? ? ? 53 ASN A ND2 1 +ATOM 402 N N . ASP A 1 54 ? 69.421 18.022 16.310 1.00 16.20 ? ? ? ? ? ? 54 ASP A N 1 +ATOM 403 C CA . ASP A 1 54 ? 69.095 18.691 15.056 1.00 16.01 ? ? ? ? ? ? 54 ASP A CA 1 +ATOM 404 C C . ASP A 1 54 ? 67.616 19.047 14.920 1.00 16.17 ? ? ? ? ? ? 54 ASP A C 1 +ATOM 405 O O . ASP A 1 54 ? 66.955 18.718 13.929 1.00 16.01 ? ? ? ? ? ? 54 ASP A O 1 +ATOM 406 C CB . ASP A 1 54 ? 69.574 17.809 13.884 1.00 16.63 ? ? ? ? ? ? 54 ASP A CB 1 +ATOM 407 C CG . ASP A 1 54 ? 69.627 18.545 12.548 1.00 17.90 ? ? ? ? ? ? 54 ASP A CG 1 +ATOM 408 O OD1 . ASP A 1 54 ? 69.579 19.789 12.539 1.00 20.97 ? ? ? ? ? ? 54 ASP A OD1 1 +ATOM 409 O OD2 . ASP A 1 54 ? 69.725 17.865 11.500 1.00 16.12 ? ? ? ? ? ? 54 ASP A OD2 1 +ATOM 410 N N . THR A 1 55 ? 67.101 19.763 15.906 1.00 15.16 ? ? ? ? ? ? 55 THR A N 1 +ATOM 411 C CA . THR A 1 55 ? 65.710 20.183 15.862 1.00 13.19 ? ? ? ? ? ? 55 THR A CA 1 +ATOM 412 C C . THR A 1 55 ? 65.426 21.000 14.592 1.00 13.97 ? ? ? ? ? ? 55 THR A C 1 +ATOM 413 O O . THR A 1 55 ? 64.381 20.851 13.958 1.00 15.32 ? ? ? ? ? ? 55 THR A O 1 +ATOM 414 C CB . THR A 1 55 ? 65.375 21.027 17.074 1.00 10.58 ? ? ? ? ? ? 55 THR A CB 1 +ATOM 415 O OG1 . THR A 1 55 ? 65.915 22.339 16.890 1.00 10.48 ? ? ? ? ? ? 55 THR A OG1 1 +ATOM 416 C CG2 . THR A 1 55 ? 65.976 20.393 18.324 1.00 7.29 ? ? ? ? ? ? 55 THR A CG2 1 +ATOM 417 N N . GLN A 1 56 ? 66.371 21.860 14.226 1.00 14.03 ? ? ? ? ? ? 56 GLN A N 1 +ATOM 418 C CA . GLN A 1 56 ? 66.249 22.710 13.048 1.00 14.53 ? ? ? ? ? ? 56 GLN A CA 1 +ATOM 419 C C . GLN A 1 56 ? 65.264 23.847 13.289 1.00 15.09 ? ? ? ? ? ? 56 GLN A C 1 +ATOM 420 O O . GLN A 1 56 ? 64.812 24.523 12.353 1.00 15.71 ? ? ? ? ? ? 56 GLN A O 1 +ATOM 421 C CB . GLN A 1 56 ? 65.845 21.894 11.823 1.00 14.93 ? ? ? ? ? ? 56 GLN A CB 1 +ATOM 422 C CG . GLN A 1 56 ? 66.844 20.803 11.493 1.00 17.31 ? ? ? ? ? ? 56 GLN A CG 1 +ATOM 423 C CD . GLN A 1 56 ? 66.837 20.397 10.040 1.00 18.10 ? ? ? ? ? ? 56 GLN A CD 1 +ATOM 424 O OE1 . GLN A 1 56 ? 66.170 21.004 9.207 1.00 19.26 ? ? ? ? ? ? 56 GLN A OE1 1 +ATOM 425 N NE2 . GLN A 1 56 ? 67.614 19.382 9.720 1.00 19.36 ? ? ? ? ? ? 56 GLN A NE2 1 +ATOM 426 N N . ILE A 1 57 ? 64.983 24.090 14.564 1.00 13.62 ? ? ? ? ? ? 57 ILE A N 1 +ATOM 427 C CA . ILE A 1 57 ? 64.075 25.138 14.960 1.00 12.14 ? ? ? ? ? ? 57 ILE A CA 1 +ATOM 428 C C . ILE A 1 57 ? 64.621 26.441 14.446 1.00 13.23 ? ? ? ? ? ? 57 ILE A C 1 +ATOM 429 O O . ILE A 1 57 ? 63.899 27.155 13.758 1.00 14.08 ? ? ? ? ? ? 57 ILE A O 1 +ATOM 430 C CB . ILE A 1 57 ? 63.915 25.177 16.490 1.00 12.75 ? ? ? ? ? ? 57 ILE A CB 1 +ATOM 431 C CG1 . ILE A 1 57 ? 63.059 23.983 16.967 1.00 12.62 ? ? ? ? ? ? 57 ILE A CG1 1 +ATOM 432 C CG2 . ILE A 1 57 ? 63.323 26.484 16.924 1.00 11.13 ? ? ? ? ? ? 57 ILE A CG2 1 +ATOM 433 C CD1 . ILE A 1 57 ? 62.983 23.817 18.481 1.00 12.45 ? ? ? ? ? ? 57 ILE A CD1 1 +ATOM 434 N N . LEU A 1 58 ? 65.918 26.680 14.706 1.00 14.04 ? ? ? ? ? ? 58 LEU A N 1 +ATOM 435 C CA . LEU A 1 58 ? 66.657 27.896 14.310 1.00 12.42 ? ? ? ? ? ? 58 LEU A CA 1 +ATOM 436 C C . LEU A 1 58 ? 67.629 27.654 13.158 1.00 13.97 ? ? ? ? ? ? 58 LEU A C 1 +ATOM 437 O O . LEU A 1 58 ? 67.676 28.437 12.203 1.00 14.80 ? ? ? ? ? ? 58 LEU A O 1 +ATOM 438 C CB . LEU A 1 58 ? 67.449 28.454 15.502 1.00 11.00 ? ? ? ? ? ? 58 LEU A CB 1 +ATOM 439 C CG . LEU A 1 58 ? 68.055 29.862 15.383 1.00 10.24 ? ? ? ? ? ? 58 LEU A CG 1 +ATOM 440 C CD1 . LEU A 1 58 ? 66.942 30.900 15.433 1.00 9.88 ? ? ? ? ? ? 58 LEU A CD1 1 +ATOM 441 C CD2 . LEU A 1 58 ? 69.077 30.149 16.473 1.00 7.24 ? ? ? ? ? ? 58 LEU A CD2 1 +ATOM 442 N N . THR A 1 59 ? 68.489 26.642 13.291 1.00 16.15 ? ? ? ? ? ? 59 THR A N 1 +ATOM 443 C CA . THR A 1 59 ? 69.459 26.309 12.232 1.00 15.87 ? ? ? ? ? ? 59 THR A CA 1 +ATOM 444 C C . THR A 1 59 ? 69.738 24.845 12.186 1.00 16.90 ? ? ? ? ? ? 59 THR A C 1 +ATOM 445 O O . THR A 1 59 ? 69.868 24.199 13.230 1.00 18.25 ? ? ? ? ? ? 59 THR A O 1 +ATOM 446 C CB . THR A 1 59 ? 70.858 26.880 12.420 1.00 15.28 ? ? ? ? ? ? 59 THR A CB 1 +ATOM 447 O OG1 . THR A 1 59 ? 70.874 27.896 13.420 1.00 17.97 ? ? ? ? ? ? 59 THR A OG1 1 +ATOM 448 C CG2 . THR A 1 59 ? 71.336 27.427 11.114 1.00 15.90 ? ? ? ? ? ? 59 THR A CG2 1 +ATOM 449 N N . PRO A 1 60 ? 69.862 24.289 10.976 1.00 17.19 ? ? ? ? ? ? 60 PRO A N 1 +ATOM 450 C CA . PRO A 1 60 ? 70.143 22.865 10.944 1.00 17.46 ? ? ? ? ? ? 60 PRO A CA 1 +ATOM 451 C C . PRO A 1 60 ? 71.592 22.680 11.308 1.00 16.89 ? ? ? ? ? ? 60 PRO A C 1 +ATOM 452 O O . PRO A 1 60 ? 72.431 23.522 11.005 1.00 16.81 ? ? ? ? ? ? 60 PRO A O 1 +ATOM 453 C CB . PRO A 1 60 ? 69.863 22.497 9.485 1.00 17.82 ? ? ? ? ? ? 60 PRO A CB 1 +ATOM 454 C CG . PRO A 1 60 ? 70.180 23.711 8.772 1.00 17.11 ? ? ? ? ? ? 60 PRO A CG 1 +ATOM 455 C CD . PRO A 1 60 ? 69.583 24.787 9.621 1.00 17.57 ? ? ? ? ? ? 60 PRO A CD 1 +ATOM 456 N N . ARG A 1 61 ? 71.846 21.605 12.034 1.00 16.81 ? ? ? ? ? ? 61 ARG A N 1 +ATOM 457 C CA . ARG A 1 61 ? 73.174 21.227 12.467 1.00 15.23 ? ? ? ? ? ? 61 ARG A CA 1 +ATOM 458 C C . ARG A 1 61 ? 74.045 20.903 11.233 1.00 15.05 ? ? ? ? ? ? 61 ARG A C 1 +ATOM 459 O O . ARG A 1 61 ? 73.542 20.448 10.207 1.00 13.96 ? ? ? ? ? ? 61 ARG A O 1 +ATOM 460 C CB . ARG A 1 61 ? 73.048 19.990 13.357 1.00 12.40 ? ? ? ? ? ? 61 ARG A CB 1 +ATOM 461 C CG . ARG A 1 61 ? 74.260 19.742 14.169 1.00 13.33 ? ? ? ? ? ? 61 ARG A CG 1 +ATOM 462 C CD . ARG A 1 61 ? 74.123 20.188 15.596 1.00 11.55 ? ? ? ? ? ? 61 ARG A CD 1 +ATOM 463 N NE . ARG A 1 61 ? 74.047 19.010 16.434 1.00 11.52 ? ? ? ? ? ? 61 ARG A NE 1 +ATOM 464 C CZ . ARG A 1 61 ? 75.065 18.178 16.625 1.00 14.52 ? ? ? ? ? ? 61 ARG A CZ 1 +ATOM 465 N NH1 . ARG A 1 61 ? 76.246 18.404 16.056 1.00 15.03 ? ? ? ? ? ? 61 ARG A NH1 1 +ATOM 466 N NH2 . ARG A 1 61 ? 74.881 17.060 17.313 1.00 16.68 ? ? ? ? ? ? 61 ARG A NH2 1 +ATOM 467 N N . LEU A 1 62 ? 75.343 21.176 11.336 1.00 16.10 ? ? ? ? ? ? 62 LEU A N 1 +ATOM 468 C CA . LEU A 1 62 ? 76.300 20.897 10.261 1.00 16.97 ? ? ? ? ? ? 62 LEU A CA 1 +ATOM 469 C C . LEU A 1 62 ? 76.535 19.367 10.080 1.00 18.19 ? ? ? ? ? ? 62 LEU A C 1 +ATOM 470 O O . LEU A 1 62 ? 77.043 18.682 10.986 1.00 17.35 ? ? ? ? ? ? 62 LEU A O 1 +ATOM 471 C CB . LEU A 1 62 ? 77.615 21.637 10.543 1.00 15.13 ? ? ? ? ? ? 62 LEU A CB 1 +ATOM 472 C CG . LEU A 1 62 ? 77.479 23.155 10.388 1.00 14.09 ? ? ? ? ? ? 62 LEU A CG 1 +ATOM 473 C CD1 . LEU A 1 62 ? 78.702 23.897 10.904 1.00 11.94 ? ? ? ? ? ? 62 LEU A CD1 1 +ATOM 474 C CD2 . LEU A 1 62 ? 77.228 23.461 8.924 1.00 13.82 ? ? ? ? ? ? 62 LEU A CD2 1 +ATOM 475 N N . LYS A 1 63 ? 76.151 18.864 8.901 1.00 18.91 ? ? ? ? ? ? 63 LYS A N 1 +ATOM 476 C CA . LYS A 1 63 ? 76.240 17.452 8.536 1.00 19.56 ? ? ? ? ? ? 63 LYS A CA 1 +ATOM 477 C C . LYS A 1 63 ? 77.392 17.089 7.599 1.00 21.08 ? ? ? ? ? ? 63 LYS A C 1 +ATOM 478 O O . LYS A 1 63 ? 77.954 15.993 7.718 1.00 22.90 ? ? ? ? ? ? 63 LYS A O 1 +ATOM 479 C CB . LYS A 1 63 ? 74.927 16.990 7.899 1.00 20.19 ? ? ? ? ? ? 63 LYS A CB 1 +ATOM 480 C CG . LYS A 1 63 ? 73.662 17.219 8.748 1.00 22.71 ? ? ? ? ? ? 63 LYS A CG 1 +ATOM 481 C CD . LYS A 1 63 ? 72.380 17.171 7.878 1.00 22.48 ? ? ? ? ? ? 63 LYS A CD 1 +ATOM 482 C CE . LYS A 1 63 ? 71.079 17.480 8.672 1.00 22.09 ? ? ? ? ? ? 63 LYS A CE 1 +ATOM 483 N NZ . LYS A 1 63 ? 70.941 18.884 9.210 1.00 20.81 ? ? ? ? ? ? 63 LYS A NZ 1 +ATOM 484 N N . THR A 1 64 ? 77.720 17.941 6.627 1.00 20.75 ? ? ? ? ? ? 64 THR A N 1 +ATOM 485 C CA . THR A 1 64 ? 78.823 17.604 5.726 1.00 20.62 ? ? ? ? ? ? 64 THR A CA 1 +ATOM 486 C C . THR A 1 64 ? 79.801 18.734 5.595 1.00 22.06 ? ? ? ? ? ? 64 THR A C 1 +ATOM 487 O O . THR A 1 64 ? 79.440 19.887 5.821 1.00 23.52 ? ? ? ? ? ? 64 THR A O 1 +ATOM 488 C CB . THR A 1 64 ? 78.377 17.275 4.279 1.00 19.80 ? ? ? ? ? ? 64 THR A CB 1 +ATOM 489 O OG1 . THR A 1 64 ? 78.248 18.479 3.515 1.00 17.35 ? ? ? ? ? ? 64 THR A OG1 1 +ATOM 490 C CG2 . THR A 1 64 ? 77.072 16.516 4.263 1.00 22.36 ? ? ? ? ? ? 64 THR A CG2 1 +ATOM 491 N N . PRO A 1 65 ? 81.069 18.421 5.251 1.00 22.50 ? ? ? ? ? ? 65 PRO A N 1 +ATOM 492 C CA . PRO A 1 65 ? 82.057 19.484 5.093 1.00 21.75 ? ? ? ? ? ? 65 PRO A CA 1 +ATOM 493 C C . PRO A 1 65 ? 81.612 20.167 3.805 1.00 20.83 ? ? ? ? ? ? 65 PRO A C 1 +ATOM 494 O O . PRO A 1 65 ? 80.933 19.538 2.994 1.00 20.60 ? ? ? ? ? ? 65 PRO A O 1 +ATOM 495 C CB . PRO A 1 65 ? 83.360 18.707 4.884 1.00 21.76 ? ? ? ? ? ? 65 PRO A CB 1 +ATOM 496 C CG . PRO A 1 65 ? 83.103 17.387 5.513 1.00 22.79 ? ? ? ? ? ? 65 PRO A CG 1 +ATOM 497 C CD . PRO A 1 65 ? 81.705 17.107 5.060 1.00 22.19 ? ? ? ? ? ? 65 PRO A CD 1 +ATOM 498 N N . MET A 1 66 ? 81.924 21.447 3.637 1.00 19.77 ? ? ? ? ? ? 66 MET A N 1 +ATOM 499 C CA . MET A 1 66 ? 81.518 22.157 2.436 1.00 18.47 ? ? ? ? ? ? 66 MET A CA 1 +ATOM 500 C C . MET A 1 66 ? 82.615 23.081 1.954 1.00 19.94 ? ? ? ? ? ? 66 MET A C 1 +ATOM 501 O O . MET A 1 66 ? 83.499 23.462 2.726 1.00 20.32 ? ? ? ? ? ? 66 MET A O 1 +ATOM 502 C CB . MET A 1 66 ? 80.262 22.969 2.699 1.00 15.21 ? ? ? ? ? ? 66 MET A CB 1 +ATOM 503 C CG . MET A 1 66 ? 79.123 22.170 3.225 1.00 13.32 ? ? ? ? ? ? 66 MET A CG 1 +ATOM 504 S SD . MET A 1 66 ? 77.601 23.105 3.193 1.00 17.14 ? ? ? ? ? ? 66 MET A SD 1 +ATOM 505 C CE . MET A 1 66 ? 77.046 22.813 4.861 1.00 17.19 ? ? ? ? ? ? 66 MET A CE 1 +ATOM 506 N N . ILE A 1 67 ? 82.566 23.426 0.674 1.00 20.92 ? ? ? ? ? ? 67 ILE A N 1 +ATOM 507 C CA . ILE A 1 67 ? 83.542 24.325 0.075 1.00 22.75 ? ? ? ? ? ? 67 ILE A CA 1 +ATOM 508 C C . ILE A 1 67 ? 82.807 25.263 -0.880 1.00 24.98 ? ? ? ? ? ? 67 ILE A C 1 +ATOM 509 O O . ILE A 1 67 ? 81.846 24.858 -1.553 1.00 23.89 ? ? ? ? ? ? 67 ILE A O 1 +ATOM 510 C CB . ILE A 1 67 ? 84.665 23.528 -0.701 1.00 21.73 ? ? ? ? ? ? 67 ILE A CB 1 +ATOM 511 C CG1 . ILE A 1 67 ? 85.613 22.838 0.284 1.00 22.32 ? ? ? ? ? ? 67 ILE A CG1 1 +ATOM 512 C CG2 . ILE A 1 67 ? 85.466 24.444 -1.621 1.00 18.10 ? ? ? ? ? ? 67 ILE A CG2 1 +ATOM 513 C CD1 . ILE A 1 67 ? 86.623 21.897 -0.367 1.00 21.62 ? ? ? ? ? ? 67 ILE A CD1 1 +ATOM 514 N N . ARG A 1 68 ? 83.217 26.526 -0.896 1.00 27.72 ? ? ? ? ? ? 68 ARG A N 1 +ATOM 515 C CA . ARG A 1 68 ? 82.625 27.500 -1.800 1.00 31.69 ? ? ? ? ? ? 68 ARG A CA 1 +ATOM 516 C C . ARG A 1 68 ? 83.746 27.872 -2.772 1.00 35.16 ? ? ? ? ? ? 68 ARG A C 1 +ATOM 517 O O . ARG A 1 68 ? 84.558 28.753 -2.479 1.00 37.45 ? ? ? ? ? ? 68 ARG A O 1 +ATOM 518 C CB . ARG A 1 68 ? 82.155 28.739 -1.048 1.00 28.80 ? ? ? ? ? ? 68 ARG A CB 1 +ATOM 519 C CG . ARG A 1 68 ? 81.121 29.504 -1.854 1.00 29.04 ? ? ? ? ? ? 68 ARG A CG 1 +ATOM 520 C CD . ARG A 1 68 ? 80.937 30.941 -1.411 1.00 25.72 ? ? ? ? ? ? 68 ARG A CD 1 +ATOM 521 N NE . ARG A 1 68 ? 80.789 31.028 0.034 1.00 24.29 ? ? ? ? ? ? 68 ARG A NE 1 +ATOM 522 C CZ . ARG A 1 68 ? 79.643 30.872 0.681 1.00 23.19 ? ? ? ? ? ? 68 ARG A CZ 1 +ATOM 523 N NH1 . ARG A 1 68 ? 78.522 30.616 0.016 1.00 23.94 ? ? ? ? ? ? 68 ARG A NH1 1 +ATOM 524 N NH2 . ARG A 1 68 ? 79.619 31.008 1.994 1.00 22.30 ? ? ? ? ? ? 68 ARG A NH2 1 +ATOM 525 N N . ARG A 1 69 ? 83.814 27.180 -3.909 1.00 38.09 ? ? ? ? ? ? 69 ARG A N 1 +ATOM 526 C CA . ARG A 1 69 ? 84.871 27.416 -4.900 1.00 40.20 ? ? ? ? ? ? 69 ARG A CA 1 +ATOM 527 C C . ARG A 1 69 ? 84.841 28.747 -5.648 1.00 41.56 ? ? ? ? ? ? 69 ARG A C 1 +ATOM 528 O O . ARG A 1 69 ? 85.853 29.169 -6.211 1.00 42.49 ? ? ? ? ? ? 69 ARG A O 1 +ATOM 529 C CB . ARG A 1 69 ? 84.950 26.253 -5.894 1.00 40.89 ? ? ? ? ? ? 69 ARG A CB 1 +ATOM 530 C CG . ARG A 1 69 ? 85.540 24.979 -5.311 1.00 42.09 ? ? ? ? ? ? 69 ARG A CG 1 +ATOM 531 C CD . ARG A 1 69 ? 85.705 23.904 -6.381 1.00 43.51 ? ? ? ? ? ? 69 ARG A CD 1 +ATOM 532 N NE . ARG A 1 69 ? 86.248 22.653 -5.849 1.00 44.18 ? ? ? ? ? ? 69 ARG A NE 1 +ATOM 533 C CZ . ARG A 1 69 ? 87.502 22.491 -5.426 1.00 44.60 ? ? ? ? ? ? 69 ARG A CZ 1 +ATOM 534 N NH1 . ARG A 1 69 ? 88.367 23.495 -5.462 1.00 43.65 ? ? ? ? ? ? 69 ARG A NH1 1 +ATOM 535 N NH2 . ARG A 1 69 ? 87.898 21.308 -4.975 1.00 46.14 ? ? ? ? ? ? 69 ARG A NH2 1 +ATOM 536 N N . GLN A 1 70 ? 83.689 29.403 -5.673 1.00 42.99 ? ? ? ? ? ? 70 GLN A N 1 +ATOM 537 C CA . GLN A 1 70 ? 83.574 30.695 -6.344 1.00 44.57 ? ? ? ? ? ? 70 GLN A CA 1 +ATOM 538 C C . GLN A 1 70 ? 83.028 31.704 -5.330 1.00 45.42 ? ? ? ? ? ? 70 GLN A C 1 +ATOM 539 O O . GLN A 1 70 ? 82.015 31.451 -4.669 1.00 46.65 ? ? ? ? ? ? 70 GLN A O 1 +ATOM 540 C CB . GLN A 1 70 ? 82.617 30.589 -7.538 1.00 45.60 ? ? ? ? ? ? 70 GLN A CB 1 +ATOM 541 C CG . GLN A 1 70 ? 82.490 31.882 -8.350 1.00 47.50 ? ? ? ? ? ? 70 GLN A CG 1 +ATOM 542 C CD . GLN A 1 70 ? 81.197 31.957 -9.169 1.00 48.45 ? ? ? ? ? ? 70 GLN A CD 1 +ATOM 543 O OE1 . GLN A 1 70 ? 80.159 32.402 -8.670 1.00 48.64 ? ? ? ? ? ? 70 GLN A OE1 1 +ATOM 544 N NE2 . GLN A 1 70 ? 81.267 31.551 -10.435 1.00 48.14 ? ? ? ? ? ? 70 GLN A NE2 1 +ATOM 545 N N . ARG A 1 71 ? 83.679 32.850 -5.192 1.00 45.07 ? ? ? ? ? ? 71 ARG A N 1 +ATOM 546 C CA . ARG A 1 71 ? 83.200 33.853 -4.258 1.00 45.37 ? ? ? ? ? ? 71 ARG A CA 1 +ATOM 547 C C . ARG A 1 71 ? 81.762 34.269 -4.591 1.00 46.45 ? ? ? ? ? ? 71 ARG A C 1 +ATOM 548 O O . ARG A 1 71 ? 81.004 34.681 -3.708 1.00 46.99 ? ? ? ? ? ? 71 ARG A O 1 +ATOM 549 C CB . ARG A 1 71 ? 84.121 35.073 -4.236 1.00 44.92 ? ? ? ? ? ? 71 ARG A CB 1 +ATOM 550 C CG . ARG A 1 71 ? 85.343 34.921 -3.326 1.00 43.34 ? ? ? ? ? ? 71 ARG A CG 1 +ATOM 551 C CD . ARG A 1 71 ? 84.957 34.902 -1.857 1.00 40.33 ? ? ? ? ? ? 71 ARG A CD 1 +ATOM 552 N NE . ARG A 1 71 ? 86.095 34.625 -0.982 1.00 37.34 ? ? ? ? ? ? 71 ARG A NE 1 +ATOM 553 C CZ . ARG A 1 71 ? 86.272 35.187 0.209 1.00 35.90 ? ? ? ? ? ? 71 ARG A CZ 1 +ATOM 554 N NH1 . ARG A 1 71 ? 85.403 36.059 0.678 1.00 35.35 ? ? ? ? ? ? 71 ARG A NH1 1 +ATOM 555 N NH2 . ARG A 1 71 ? 87.294 34.832 0.957 1.00 36.16 ? ? ? ? ? ? 71 ARG A NH2 1 +ATOM 556 N N . GLY A 1 72 ? 81.393 34.134 -5.865 1.00 46.51 ? ? ? ? ? ? 72 GLY A N 1 +ATOM 557 C CA . GLY A 1 72 ? 80.050 34.482 -6.296 1.00 46.64 ? ? ? ? ? ? 72 GLY A CA 1 +ATOM 558 C C . GLY A 1 72 ? 78.978 33.734 -5.513 1.00 47.16 ? ? ? ? ? ? 72 GLY A C 1 +ATOM 559 O O . GLY A 1 72 ? 77.791 34.061 -5.593 1.00 47.54 ? ? ? ? ? ? 72 GLY A O 1 +ATOM 560 N N . GLY A 1 73 ? 79.397 32.681 -4.811 1.00 46.82 ? ? ? ? ? ? 73 GLY A N 1 +ATOM 561 C CA . GLY A 1 73 ? 78.456 31.932 -4.002 1.00 45.82 ? ? ? ? ? ? 73 GLY A CA 1 +ATOM 562 C C . GLY A 1 73 ? 78.377 30.452 -4.290 1.00 44.29 ? ? ? ? ? ? 73 GLY A C 1 +ATOM 563 O O . GLY A 1 73 ? 79.042 29.942 -5.201 1.00 43.88 ? ? ? ? ? ? 73 GLY A O 1 +ATOM 564 N N . LYS A 1 74 ? 77.534 29.793 -3.494 1.00 42.70 ? ? ? ? ? ? 74 LYS A N 1 +ATOM 565 C CA . LYS A 1 74 ? 77.253 28.359 -3.543 1.00 41.71 ? ? ? ? ? ? 74 LYS A CA 1 +ATOM 566 C C . LYS A 1 74 ? 78.214 27.501 -2.702 1.00 39.73 ? ? ? ? ? ? 74 LYS A C 1 +ATOM 567 O O . LYS A 1 74 ? 79.307 27.115 -3.124 1.00 39.36 ? ? ? ? ? ? 74 LYS A O 1 +ATOM 568 C CB . LYS A 1 74 ? 77.151 27.837 -4.983 1.00 43.62 ? ? ? ? ? ? 74 LYS A CB 1 +ATOM 569 C CG . LYS A 1 74 ? 76.457 26.483 -5.098 1.00 45.67 ? ? ? ? ? ? 74 LYS A CG 1 +ATOM 570 C CD . LYS A 1 74 ? 77.129 25.614 -6.149 1.00 48.76 ? ? ? ? ? ? 74 LYS A CD 1 +ATOM 571 C CE . LYS A 1 74 ? 77.071 26.242 -7.537 1.00 51.74 ? ? ? ? ? ? 74 LYS A CE 1 +ATOM 572 N NZ . LYS A 1 74 ? 75.669 26.336 -8.097 1.00 54.68 ? ? ? ? ? ? 74 LYS A NZ 1 +ATOM 573 N N . LEU A 1 75 ? 77.763 27.202 -1.494 1.00 37.19 ? ? ? ? ? ? 75 LEU A N 1 +ATOM 574 C CA . LEU A 1 75 ? 78.505 26.393 -0.548 1.00 34.77 ? ? ? ? ? ? 75 LEU A CA 1 +ATOM 575 C C . LEU A 1 75 ? 78.007 24.941 -0.730 1.00 32.88 ? ? ? ? ? ? 75 LEU A C 1 +ATOM 576 O O . LEU A 1 75 ? 77.001 24.546 -0.143 1.00 32.91 ? ? ? ? ? ? 75 LEU A O 1 +ATOM 577 C CB . LEU A 1 75 ? 78.206 26.950 0.858 1.00 34.46 ? ? ? ? ? ? 75 LEU A CB 1 +ATOM 578 C CG . LEU A 1 75 ? 79.023 26.798 2.149 1.00 33.18 ? ? ? ? ? ? 75 LEU A CG 1 +ATOM 579 C CD1 . LEU A 1 75 ? 80.511 26.800 1.896 1.00 32.11 ? ? ? ? ? ? 75 LEU A CD1 1 +ATOM 580 C CD2 . LEU A 1 75 ? 78.634 27.941 3.072 1.00 31.88 ? ? ? ? ? ? 75 LEU A CD2 1 +ATOM 581 N N . GLU A 1 76 ? 78.672 24.190 -1.612 1.00 31.56 ? ? ? ? ? ? 76 GLU A N 1 +ATOM 582 C CA . GLU A 1 76 ? 78.325 22.783 -1.910 1.00 29.62 ? ? ? ? ? ? 76 GLU A CA 1 +ATOM 583 C C . GLU A 1 76 ? 79.081 21.781 -1.059 1.00 25.97 ? ? ? ? ? ? 76 GLU A C 1 +ATOM 584 O O . GLU A 1 76 ? 80.261 21.949 -0.789 1.00 25.72 ? ? ? ? ? ? 76 GLU A O 1 +ATOM 585 C CB . GLU A 1 76 ? 78.594 22.436 -3.387 1.00 31.66 ? ? ? ? ? ? 76 GLU A CB 1 +ATOM 586 C CG . GLU A 1 76 ? 77.503 22.877 -4.378 1.00 35.77 ? ? ? ? ? ? 76 GLU A CG 1 +ATOM 587 C CD . GLU A 1 76 ? 76.223 22.013 -4.322 1.00 38.08 ? ? ? ? ? ? 76 GLU A CD 1 +ATOM 588 O OE1 . GLU A 1 76 ? 76.297 20.778 -4.557 1.00 39.47 ? ? ? ? ? ? 76 GLU A OE1 1 +ATOM 589 O OE2 . GLU A 1 76 ? 75.138 22.581 -4.069 1.00 37.96 ? ? ? ? ? ? 76 GLU A OE2 1 +ATOM 590 N N . PRO A 1 77 ? 78.404 20.717 -0.625 1.00 23.90 ? ? ? ? ? ? 77 PRO A N 1 +ATOM 591 C CA . PRO A 1 77 ? 78.998 19.664 0.200 1.00 21.70 ? ? ? ? ? ? 77 PRO A CA 1 +ATOM 592 C C . PRO A 1 77 ? 80.189 19.040 -0.484 1.00 20.84 ? ? ? ? ? ? 77 PRO A C 1 +ATOM 593 O O . PRO A 1 77 ? 80.256 18.956 -1.709 1.00 23.02 ? ? ? ? ? ? 77 PRO A O 1 +ATOM 594 C CB . PRO A 1 77 ? 77.863 18.676 0.366 1.00 20.67 ? ? ? ? ? ? 77 PRO A CB 1 +ATOM 595 C CG . PRO A 1 77 ? 76.982 18.954 -0.817 1.00 22.50 ? ? ? ? ? ? 77 PRO A CG 1 +ATOM 596 C CD . PRO A 1 77 ? 76.987 20.440 -0.867 1.00 22.85 ? ? ? ? ? ? 77 PRO A CD 1 +ATOM 597 N N . VAL A 1 78 ? 81.118 18.562 0.324 1.00 19.50 ? ? ? ? ? ? 78 VAL A N 1 +ATOM 598 C CA . VAL A 1 78 ? 82.345 17.990 -0.168 1.00 15.46 ? ? ? ? ? ? 78 VAL A CA 1 +ATOM 599 C C . VAL A 1 78 ? 82.812 17.020 0.898 1.00 14.34 ? ? ? ? ? ? 78 VAL A C 1 +ATOM 600 O O . VAL A 1 78 ? 82.499 17.198 2.069 1.00 13.52 ? ? ? ? ? ? 78 VAL A O 1 +ATOM 601 C CB . VAL A 1 78 ? 83.341 19.132 -0.369 1.00 14.58 ? ? ? ? ? ? 78 VAL A CB 1 +ATOM 602 C CG1 . VAL A 1 78 ? 84.689 18.796 0.187 1.00 15.54 ? ? ? ? ? ? 78 VAL A CG1 1 +ATOM 603 C CG2 . VAL A 1 78 ? 83.406 19.498 -1.822 1.00 14.16 ? ? ? ? ? ? 78 VAL A CG2 1 +ATOM 604 N N . SER A 1 79 ? 83.545 15.991 0.488 1.00 14.76 ? ? ? ? ? ? 79 SER A N 1 +ATOM 605 C CA . SER A 1 79 ? 84.052 14.977 1.410 1.00 14.58 ? ? ? ? ? ? 79 SER A CA 1 +ATOM 606 C C . SER A 1 79 ? 85.153 15.489 2.314 1.00 14.87 ? ? ? ? ? ? 79 SER A C 1 +ATOM 607 O O . SER A 1 79 ? 85.735 16.549 2.084 1.00 14.60 ? ? ? ? ? ? 79 SER A O 1 +ATOM 608 C CB . SER A 1 79 ? 84.604 13.799 0.626 1.00 15.79 ? ? ? ? ? ? 79 SER A CB 1 +ATOM 609 O OG . SER A 1 79 ? 85.740 14.196 -0.126 1.00 18.32 ? ? ? ? ? ? 79 SER A OG 1 +ATOM 610 N N . TRP A 1 80 ? 85.503 14.683 3.300 1.00 16.06 ? ? ? ? ? ? 80 TRP A N 1 +ATOM 611 C CA . TRP A 1 80 ? 86.557 15.074 4.204 1.00 18.76 ? ? ? ? ? ? 80 TRP A CA 1 +ATOM 612 C C . TRP A 1 80 ? 87.877 15.218 3.481 1.00 19.73 ? ? ? ? ? ? 80 TRP A C 1 +ATOM 613 O O . TRP A 1 80 ? 88.502 16.251 3.557 1.00 21.37 ? ? ? ? ? ? 80 TRP A O 1 +ATOM 614 C CB . TRP A 1 80 ? 86.661 14.113 5.387 1.00 20.74 ? ? ? ? ? ? 80 TRP A CB 1 +ATOM 615 C CG . TRP A 1 80 ? 85.664 14.438 6.482 1.00 21.38 ? ? ? ? ? ? 80 TRP A CG 1 +ATOM 616 C CD1 . TRP A 1 80 ? 84.535 13.736 6.818 1.00 21.60 ? ? ? ? ? ? 80 TRP A CD1 1 +ATOM 617 C CD2 . TRP A 1 80 ? 85.712 15.560 7.359 1.00 21.79 ? ? ? ? ? ? 80 TRP A CD2 1 +ATOM 618 N NE1 . TRP A 1 80 ? 83.883 14.357 7.849 1.00 20.97 ? ? ? ? ? ? 80 TRP A NE1 1 +ATOM 619 C CE2 . TRP A 1 80 ? 84.580 15.482 8.197 1.00 21.50 ? ? ? ? ? ? 80 TRP A CE2 1 +ATOM 620 C CE3 . TRP A 1 80 ? 86.605 16.631 7.514 1.00 21.80 ? ? ? ? ? ? 80 TRP A CE3 1 +ATOM 621 C CZ2 . TRP A 1 80 ? 84.319 16.424 9.176 1.00 22.89 ? ? ? ? ? ? 80 TRP A CZ2 1 +ATOM 622 C CZ3 . TRP A 1 80 ? 86.354 17.562 8.483 1.00 21.94 ? ? ? ? ? ? 80 TRP A CZ3 1 +ATOM 623 C CH2 . TRP A 1 80 ? 85.214 17.459 9.303 1.00 24.30 ? ? ? ? ? ? 80 TRP A CH2 1 +ATOM 624 N N . ASP A 1 81 ? 88.255 14.235 2.687 1.00 22.63 ? ? ? ? ? ? 81 ASP A N 1 +ATOM 625 C CA . ASP A 1 81 ? 89.519 14.321 1.963 1.00 22.85 ? ? ? ? ? ? 81 ASP A CA 1 +ATOM 626 C C . ASP A 1 81 ? 89.602 15.636 1.220 1.00 21.74 ? ? ? ? ? ? 81 ASP A C 1 +ATOM 627 O O . ASP A 1 81 ? 90.547 16.391 1.409 1.00 22.47 ? ? ? ? ? ? 81 ASP A O 1 +ATOM 628 C CB . ASP A 1 81 ? 89.658 13.172 0.958 1.00 25.76 ? ? ? ? ? ? 81 ASP A CB 1 +ATOM 629 C CG . ASP A 1 81 ? 91.100 12.942 0.531 1.00 29.56 ? ? ? ? ? ? 81 ASP A CG 1 +ATOM 630 O OD1 . ASP A 1 81 ? 91.808 12.218 1.267 1.00 32.61 ? ? ? ? ? ? 81 ASP A OD1 1 +ATOM 631 O OD2 . ASP A 1 81 ? 91.529 13.477 -0.524 1.00 30.31 ? ? ? ? ? ? 81 ASP A OD2 1 +ATOM 632 N N . GLU A 1 82 ? 88.577 15.943 0.432 1.00 21.59 ? ? ? ? ? ? 82 GLU A N 1 +ATOM 633 C CA . GLU A 1 82 ? 88.579 17.173 -0.363 1.00 21.82 ? ? ? ? ? ? 82 GLU A CA 1 +ATOM 634 C C . GLU A 1 82 ? 88.650 18.426 0.467 1.00 21.21 ? ? ? ? ? ? 82 GLU A C 1 +ATOM 635 O O . GLU A 1 82 ? 89.315 19.380 0.081 1.00 21.60 ? ? ? ? ? ? 82 GLU A O 1 +ATOM 636 C CB . GLU A 1 82 ? 87.366 17.264 -1.291 1.00 22.24 ? ? ? ? ? ? 82 GLU A CB 1 +ATOM 637 C CG . GLU A 1 82 ? 87.441 18.477 -2.237 1.00 23.05 ? ? ? ? ? ? 82 GLU A CG 1 +ATOM 638 C CD . GLU A 1 82 ? 86.240 18.605 -3.167 1.00 23.60 ? ? ? ? ? ? 82 GLU A CD 1 +ATOM 639 O OE1 . GLU A 1 82 ? 85.534 17.596 -3.380 1.00 24.18 ? ? ? ? ? ? 82 GLU A OE1 1 +ATOM 640 O OE2 . GLU A 1 82 ? 85.985 19.723 -3.672 1.00 23.61 ? ? ? ? ? ? 82 GLU A OE2 1 +ATOM 641 N N . ALA A 1 83 ? 87.948 18.439 1.594 1.00 20.69 ? ? ? ? ? ? 83 ALA A N 1 +ATOM 642 C CA . ALA A 1 83 ? 87.961 19.614 2.441 1.00 19.21 ? ? ? ? ? ? 83 ALA A CA 1 +ATOM 643 C C . ALA A 1 83 ? 89.315 19.705 3.124 1.00 17.99 ? ? ? ? ? ? 83 ALA A C 1 +ATOM 644 O O . ALA A 1 83 ? 90.028 20.701 2.994 1.00 19.56 ? ? ? ? ? ? 83 ALA A O 1 +ATOM 645 C CB . ALA A 1 83 ? 86.848 19.542 3.462 1.00 18.70 ? ? ? ? ? ? 83 ALA A CB 1 +ATOM 646 N N . LEU A 1 84 ? 89.717 18.618 3.758 1.00 15.43 ? ? ? ? ? ? 84 LEU A N 1 +ATOM 647 C CA . LEU A 1 84 ? 90.968 18.583 4.489 1.00 13.78 ? ? ? ? ? ? 84 LEU A CA 1 +ATOM 648 C C . LEU A 1 84 ? 92.237 18.847 3.677 1.00 14.38 ? ? ? ? ? ? 84 LEU A C 1 +ATOM 649 O O . LEU A 1 84 ? 93.192 19.409 4.200 1.00 15.12 ? ? ? ? ? ? 84 LEU A O 1 +ATOM 650 C CB . LEU A 1 84 ? 91.047 17.309 5.333 1.00 9.83 ? ? ? ? ? ? 84 LEU A CB 1 +ATOM 651 C CG . LEU A 1 84 ? 89.988 17.244 6.446 1.00 4.61 ? ? ? ? ? ? 84 LEU A CG 1 +ATOM 652 C CD1 . LEU A 1 84 ? 89.983 15.883 7.037 1.00 5.06 ? ? ? ? ? ? 84 LEU A CD1 1 +ATOM 653 C CD2 . LEU A 1 84 ? 90.214 18.279 7.513 1.00 2.73 ? ? ? ? ? ? 84 LEU A CD2 1 +ATOM 654 N N . ASN A 1 85 ? 92.245 18.467 2.406 1.00 16.28 ? ? ? ? ? ? 85 ASN A N 1 +ATOM 655 C CA . ASN A 1 85 ? 93.399 18.720 1.534 1.00 17.63 ? ? ? ? ? ? 85 ASN A CA 1 +ATOM 656 C C . ASN A 1 85 ? 93.325 20.179 1.067 1.00 16.61 ? ? ? ? ? ? 85 ASN A C 1 +ATOM 657 O O . ASN A 1 85 ? 94.336 20.848 0.867 1.00 15.41 ? ? ? ? ? ? 85 ASN A O 1 +ATOM 658 C CB . ASN A 1 85 ? 93.388 17.764 0.315 1.00 19.08 ? ? ? ? ? ? 85 ASN A CB 1 +ATOM 659 C CG . ASN A 1 85 ? 94.328 18.217 -0.820 1.00 20.67 ? ? ? ? ? ? 85 ASN A CG 1 +ATOM 660 O OD1 . ASN A 1 85 ? 93.888 18.627 -1.891 1.00 22.11 ? ? ? ? ? ? 85 ASN A OD1 1 +ATOM 661 N ND2 . ASN A 1 85 ? 95.616 18.139 -0.581 1.00 24.67 ? ? ? ? ? ? 85 ASN A ND2 1 +ATOM 662 N N . TYR A 1 86 ? 92.106 20.669 0.912 1.00 17.71 ? ? ? ? ? ? 86 TYR A N 1 +ATOM 663 C CA . TYR A 1 86 ? 91.894 22.035 0.452 1.00 18.55 ? ? ? ? ? ? 86 TYR A CA 1 +ATOM 664 C C . TYR A 1 86 ? 92.435 23.007 1.481 1.00 18.11 ? ? ? ? ? ? 86 TYR A C 1 +ATOM 665 O O . TYR A 1 86 ? 93.127 23.948 1.138 1.00 17.76 ? ? ? ? ? ? 86 TYR A O 1 +ATOM 666 C CB . TYR A 1 86 ? 90.419 22.289 0.195 1.00 17.87 ? ? ? ? ? ? 86 TYR A CB 1 +ATOM 667 C CG . TYR A 1 86 ? 90.183 23.550 -0.562 1.00 20.13 ? ? ? ? ? ? 86 TYR A CG 1 +ATOM 668 C CD1 . TYR A 1 86 ? 90.116 24.767 0.096 1.00 22.86 ? ? ? ? ? ? 86 TYR A CD1 1 +ATOM 669 C CD2 . TYR A 1 86 ? 90.007 23.532 -1.937 1.00 20.54 ? ? ? ? ? ? 86 TYR A CD2 1 +ATOM 670 C CE1 . TYR A 1 86 ? 89.882 25.938 -0.597 1.00 24.63 ? ? ? ? ? ? 86 TYR A CE1 1 +ATOM 671 C CE2 . TYR A 1 86 ? 89.765 24.688 -2.636 1.00 21.49 ? ? ? ? ? ? 86 TYR A CE2 1 +ATOM 672 C CZ . TYR A 1 86 ? 89.707 25.892 -1.963 1.00 24.11 ? ? ? ? ? ? 86 TYR A CZ 1 +ATOM 673 O OH . TYR A 1 86 ? 89.501 27.065 -2.644 1.00 26.09 ? ? ? ? ? ? 86 TYR A OH 1 +ATOM 674 N N . VAL A 1 87 ? 92.085 22.785 2.742 1.00 18.10 ? ? ? ? ? ? 87 VAL A N 1 +ATOM 675 C CA . VAL A 1 87 ? 92.589 23.609 3.828 1.00 16.46 ? ? ? ? ? ? 87 VAL A CA 1 +ATOM 676 C C . VAL A 1 87 ? 94.115 23.434 3.919 1.00 16.21 ? ? ? ? ? ? 87 VAL A C 1 +ATOM 677 O O . VAL A 1 87 ? 94.859 24.392 3.778 1.00 16.88 ? ? ? ? ? ? 87 VAL A O 1 +ATOM 678 C CB . VAL A 1 87 ? 91.961 23.204 5.154 1.00 14.99 ? ? ? ? ? ? 87 VAL A CB 1 +ATOM 679 C CG1 . VAL A 1 87 ? 92.603 23.961 6.297 1.00 13.36 ? ? ? ? ? ? 87 VAL A CG1 1 +ATOM 680 C CG2 . VAL A 1 87 ? 90.453 23.426 5.095 1.00 14.49 ? ? ? ? ? ? 87 VAL A CG2 1 +ATOM 681 N N . ALA A 1 88 ? 94.579 22.203 4.074 1.00 15.68 ? ? ? ? ? ? 88 ALA A N 1 +ATOM 682 C CA . ALA A 1 88 ? 96.012 21.938 4.185 1.00 16.57 ? ? ? ? ? ? 88 ALA A CA 1 +ATOM 683 C C . ALA A 1 88 ? 96.837 22.575 3.067 1.00 17.07 ? ? ? ? ? ? 88 ALA A C 1 +ATOM 684 O O . ALA A 1 88 ? 97.895 23.151 3.313 1.00 15.86 ? ? ? ? ? ? 88 ALA A O 1 +ATOM 685 C CB . ALA A 1 88 ? 96.263 20.435 4.254 1.00 16.34 ? ? ? ? ? ? 88 ALA A CB 1 +ATOM 686 N N . GLU A 1 89 ? 96.306 22.496 1.850 1.00 19.78 ? ? ? ? ? ? 89 GLU A N 1 +ATOM 687 C CA . GLU A 1 89 ? 96.923 23.051 0.639 1.00 20.54 ? ? ? ? ? ? 89 GLU A CA 1 +ATOM 688 C C . GLU A 1 89 ? 96.941 24.585 0.746 1.00 18.80 ? ? ? ? ? ? 89 GLU A C 1 +ATOM 689 O O . GLU A 1 89 ? 97.998 25.196 0.727 1.00 16.66 ? ? ? ? ? ? 89 GLU A O 1 +ATOM 690 C CB . GLU A 1 89 ? 96.095 22.618 -0.597 1.00 23.73 ? ? ? ? ? ? 89 GLU A CB 1 +ATOM 691 C CG . GLU A 1 89 ? 96.878 22.389 -1.916 1.00 29.60 ? ? ? ? ? ? 89 GLU A CG 1 +ATOM 692 C CD . GLU A 1 89 ? 96.777 20.927 -2.410 1.00 33.52 ? ? ? ? ? ? 89 GLU A CD 1 +ATOM 693 O OE1 . GLU A 1 89 ? 95.745 20.583 -3.048 1.00 32.76 ? ? ? ? ? ? 89 GLU A OE1 1 +ATOM 694 O OE2 . GLU A 1 89 ? 97.720 20.126 -2.143 1.00 33.37 ? ? ? ? ? ? 89 GLU A OE2 1 +ATOM 695 N N . ARG A 1 90 ? 95.756 25.173 0.918 1.00 18.47 ? ? ? ? ? ? 90 ARG A N 1 +ATOM 696 C CA . ARG A 1 90 ? 95.569 26.607 1.022 1.00 17.75 ? ? ? ? ? ? 90 ARG A CA 1 +ATOM 697 C C . ARG A 1 90 ? 96.420 27.258 2.084 1.00 18.04 ? ? ? ? ? ? 90 ARG A C 1 +ATOM 698 O O . ARG A 1 90 ? 97.078 28.267 1.807 1.00 18.89 ? ? ? ? ? ? 90 ARG A O 1 +ATOM 699 C CB . ARG A 1 90 ? 94.109 26.943 1.292 1.00 19.08 ? ? ? ? ? ? 90 ARG A CB 1 +ATOM 700 C CG . ARG A 1 90 ? 93.196 26.640 0.159 1.00 22.72 ? ? ? ? ? ? 90 ARG A CG 1 +ATOM 701 C CD . ARG A 1 90 ? 93.726 27.212 -1.118 1.00 26.58 ? ? ? ? ? ? 90 ARG A CD 1 +ATOM 702 N NE . ARG A 1 90 ? 92.869 26.878 -2.251 1.00 32.64 ? ? ? ? ? ? 90 ARG A NE 1 +ATOM 703 C CZ . ARG A 1 90 ? 92.747 25.658 -2.770 1.00 34.69 ? ? ? ? ? ? 90 ARG A CZ 1 +ATOM 704 N NH1 . ARG A 1 90 ? 93.417 24.636 -2.252 1.00 36.91 ? ? ? ? ? ? 90 ARG A NH1 1 +ATOM 705 N NH2 . ARG A 1 90 ? 92.016 25.475 -3.861 1.00 33.99 ? ? ? ? ? ? 90 ARG A NH2 1 +ATOM 706 N N . LEU A 1 91 ? 96.359 26.726 3.306 1.00 17.01 ? ? ? ? ? ? 91 LEU A N 1 +ATOM 707 C CA . LEU A 1 91 ? 97.139 27.257 4.420 1.00 14.91 ? ? ? ? ? ? 91 LEU A CA 1 +ATOM 708 C C . LEU A 1 91 ? 98.624 27.136 4.119 1.00 15.21 ? ? ? ? ? ? 91 LEU A C 1 +ATOM 709 O O . LEU A 1 91 ? 99.357 28.112 4.265 1.00 15.92 ? ? ? ? ? ? 91 LEU A O 1 +ATOM 710 C CB . LEU A 1 91 ? 96.822 26.539 5.735 1.00 11.61 ? ? ? ? ? ? 91 LEU A CB 1 +ATOM 711 C CG . LEU A 1 91 ? 95.444 26.677 6.388 1.00 8.89 ? ? ? ? ? ? 91 LEU A CG 1 +ATOM 712 C CD1 . LEU A 1 91 ? 95.521 25.961 7.716 1.00 7.72 ? ? ? ? ? ? 91 LEU A CD1 1 +ATOM 713 C CD2 . LEU A 1 91 ? 95.030 28.131 6.597 1.00 5.23 ? ? ? ? ? ? 91 LEU A CD2 1 +ATOM 714 N N . SER A 1 92 ? 99.066 25.964 3.661 1.00 15.78 ? ? ? ? ? ? 92 SER A N 1 +ATOM 715 C CA . SER A 1 92 ? 100.488 25.770 3.342 1.00 16.29 ? ? ? ? ? ? 92 SER A CA 1 +ATOM 716 C C . SER A 1 92 ? 100.930 26.776 2.299 1.00 16.66 ? ? ? ? ? ? 92 SER A C 1 +ATOM 717 O O . SER A 1 92 ? 101.969 27.423 2.450 1.00 17.65 ? ? ? ? ? ? 92 SER A O 1 +ATOM 718 C CB . SER A 1 92 ? 100.770 24.356 2.823 1.00 14.74 ? ? ? ? ? ? 92 SER A CB 1 +ATOM 719 O OG . SER A 1 92 ? 101.443 23.564 3.798 1.00 16.41 ? ? ? ? ? ? 92 SER A OG 1 +ATOM 720 N N . ALA A 1 93 ? 100.117 26.911 1.260 1.00 16.76 ? ? ? ? ? ? 93 ALA A N 1 +ATOM 721 C CA . ALA A 1 93 ? 100.368 27.824 0.164 1.00 17.35 ? ? ? ? ? ? 93 ALA A CA 1 +ATOM 722 C C . ALA A 1 93 ? 100.498 29.241 0.699 1.00 19.42 ? ? ? ? ? ? 93 ALA A C 1 +ATOM 723 O O . ALA A 1 93 ? 101.514 29.899 0.479 1.00 21.20 ? ? ? ? ? ? 93 ALA A O 1 +ATOM 724 C CB . ALA A 1 93 ? 99.239 27.740 -0.851 1.00 16.38 ? ? ? ? ? ? 93 ALA A CB 1 +ATOM 725 N N . ILE A 1 94 ? 99.490 29.706 1.427 1.00 20.59 ? ? ? ? ? ? 94 ILE A N 1 +ATOM 726 C CA . ILE A 1 94 ? 99.522 31.047 1.989 1.00 21.36 ? ? ? ? ? ? 94 ILE A CA 1 +ATOM 727 C C . ILE A 1 94 ? 100.669 31.223 2.982 1.00 23.24 ? ? ? ? ? ? 94 ILE A C 1 +ATOM 728 O O . ILE A 1 94 ? 101.274 32.291 3.063 1.00 26.13 ? ? ? ? ? ? 94 ILE A O 1 +ATOM 729 C CB . ILE A 1 94 ? 98.185 31.395 2.650 1.00 19.84 ? ? ? ? ? ? 94 ILE A CB 1 +ATOM 730 C CG1 . ILE A 1 94 ? 97.156 31.681 1.561 1.00 22.43 ? ? ? ? ? ? 94 ILE A CG1 1 +ATOM 731 C CG2 . ILE A 1 94 ? 98.325 32.598 3.530 1.00 21.42 ? ? ? ? ? ? 94 ILE A CG2 1 +ATOM 732 C CD1 . ILE A 1 94 ? 95.726 31.822 2.045 1.00 22.96 ? ? ? ? ? ? 94 ILE A CD1 1 +ATOM 733 N N . LYS A 1 95 ? 101.022 30.168 3.693 1.00 22.89 ? ? ? ? ? ? 95 LYS A N 1 +ATOM 734 C CA . LYS A 1 95 ? 102.099 30.273 4.656 1.00 23.98 ? ? ? ? ? ? 95 LYS A CA 1 +ATOM 735 C C . LYS A 1 95 ? 103.434 30.503 3.966 1.00 26.05 ? ? ? ? ? ? 95 LYS A C 1 +ATOM 736 O O . LYS A 1 95 ? 104.284 31.211 4.468 1.00 25.90 ? ? ? ? ? ? 95 LYS A O 1 +ATOM 737 C CB . LYS A 1 95 ? 102.178 28.998 5.508 1.00 22.29 ? ? ? ? ? ? 95 LYS A CB 1 +ATOM 738 C CG . LYS A 1 95 ? 103.466 28.863 6.312 1.00 17.79 ? ? ? ? ? ? 95 LYS A CG 1 +ATOM 739 C CD . LYS A 1 95 ? 103.489 27.619 7.154 1.00 13.87 ? ? ? ? ? ? 95 LYS A CD 1 +ATOM 740 C CE . LYS A 1 95 ? 104.870 27.414 7.673 1.00 11.39 ? ? ? ? ? ? 95 LYS A CE 1 +ATOM 741 N NZ . LYS A 1 95 ? 104.918 26.319 8.659 1.00 13.24 ? ? ? ? ? ? 95 LYS A NZ 1 +ATOM 742 N N . GLU A 1 96 ? 103.628 29.868 2.826 1.00 29.95 ? ? ? ? ? ? 96 GLU A N 1 +ATOM 743 C CA . GLU A 1 96 ? 104.893 30.003 2.127 1.00 33.80 ? ? ? ? ? ? 96 GLU A CA 1 +ATOM 744 C C . GLU A 1 96 ? 104.979 31.372 1.501 1.00 33.61 ? ? ? ? ? ? 96 GLU A C 1 +ATOM 745 O O . GLU A 1 96 ? 105.905 32.128 1.769 1.00 37.23 ? ? ? ? ? ? 96 GLU A O 1 +ATOM 746 C CB . GLU A 1 96 ? 105.036 28.931 1.041 1.00 37.35 ? ? ? ? ? ? 96 GLU A CB 1 +ATOM 747 C CG . GLU A 1 96 ? 105.110 27.492 1.580 1.00 44.27 ? ? ? ? ? ? 96 GLU A CG 1 +ATOM 748 C CD . GLU A 1 96 ? 106.541 27.022 1.837 1.00 48.56 ? ? ? ? ? ? 96 GLU A CD 1 +ATOM 749 O OE1 . GLU A 1 96 ? 107.050 27.253 2.964 1.00 49.98 ? ? ? ? ? ? 96 GLU A OE1 1 +ATOM 750 O OE2 . GLU A 1 96 ? 107.151 26.426 0.905 1.00 50.00 ? ? ? ? ? ? 96 GLU A OE2 1 +ATOM 751 N N . LYS A 1 97 ? 103.959 31.725 0.738 1.00 30.92 ? ? ? ? ? ? 97 LYS A N 1 +ATOM 752 C CA . LYS A 1 97 ? 103.955 32.987 0.040 1.00 28.36 ? ? ? ? ? ? 97 LYS A CA 1 +ATOM 753 C C . LYS A 1 97 ? 103.987 34.213 0.937 1.00 28.66 ? ? ? ? ? ? 97 LYS A C 1 +ATOM 754 O O . LYS A 1 97 ? 104.618 35.213 0.577 1.00 31.22 ? ? ? ? ? ? 97 LYS A O 1 +ATOM 755 C CB . LYS A 1 97 ? 102.765 33.031 -0.906 1.00 28.37 ? ? ? ? ? ? 97 LYS A CB 1 +ATOM 756 C CG . LYS A 1 97 ? 102.718 34.221 -1.817 1.00 29.48 ? ? ? ? ? ? 97 LYS A CG 1 +ATOM 757 C CD . LYS A 1 97 ? 101.734 33.980 -2.917 1.00 31.71 ? ? ? ? ? ? 97 LYS A CD 1 +ATOM 758 C CE . LYS A 1 97 ? 102.434 33.598 -4.230 1.00 35.24 ? ? ? ? ? ? 97 LYS A CE 1 +ATOM 759 N NZ . LYS A 1 97 ? 103.324 32.383 -4.235 1.00 34.45 ? ? ? ? ? ? 97 LYS A NZ 1 +ATOM 760 N N . TYR A 1 98 ? 103.383 34.146 2.120 1.00 25.75 ? ? ? ? ? ? 98 TYR A N 1 +ATOM 761 C CA . TYR A 1 98 ? 103.368 35.317 2.987 1.00 21.95 ? ? ? ? ? ? 98 TYR A CA 1 +ATOM 762 C C . TYR A 1 98 ? 103.856 35.165 4.438 1.00 19.62 ? ? ? ? ? ? 98 TYR A C 1 +ATOM 763 O O . TYR A 1 98 ? 103.804 36.109 5.219 1.00 18.98 ? ? ? ? ? ? 98 TYR A O 1 +ATOM 764 C CB . TYR A 1 98 ? 101.974 35.882 3.001 1.00 23.82 ? ? ? ? ? ? 98 TYR A CB 1 +ATOM 765 C CG . TYR A 1 98 ? 101.354 35.967 1.648 1.00 27.41 ? ? ? ? ? ? 98 TYR A CG 1 +ATOM 766 C CD1 . TYR A 1 98 ? 101.696 36.982 0.766 1.00 29.27 ? ? ? ? ? ? 98 TYR A CD1 1 +ATOM 767 C CD2 . TYR A 1 98 ? 100.396 35.052 1.251 1.00 29.96 ? ? ? ? ? ? 98 TYR A CD2 1 +ATOM 768 C CE1 . TYR A 1 98 ? 101.089 37.085 -0.486 1.00 31.07 ? ? ? ? ? ? 98 TYR A CE1 1 +ATOM 769 C CE2 . TYR A 1 98 ? 99.783 35.141 0.002 1.00 31.73 ? ? ? ? ? ? 98 TYR A CE2 1 +ATOM 770 C CZ . TYR A 1 98 ? 100.134 36.157 -0.857 1.00 31.78 ? ? ? ? ? ? 98 TYR A CZ 1 +ATOM 771 O OH . TYR A 1 98 ? 99.534 36.230 -2.092 1.00 33.46 ? ? ? ? ? ? 98 TYR A OH 1 +ATOM 772 N N . GLY A 1 99 ? 104.341 33.987 4.791 1.00 17.24 ? ? ? ? ? ? 99 GLY A N 1 +ATOM 773 C CA . GLY A 1 99 ? 104.815 33.769 6.146 1.00 15.44 ? ? ? ? ? ? 99 GLY A CA 1 +ATOM 774 C C . GLY A 1 99 ? 103.702 33.246 7.024 1.00 14.64 ? ? ? ? ? ? 99 GLY A C 1 +ATOM 775 O O . GLY A 1 99 ? 102.528 33.530 6.762 1.00 15.03 ? ? ? ? ? ? 99 GLY A O 1 +ATOM 776 N N . PRO A 1 100 ? 104.033 32.511 8.100 1.00 13.22 ? ? ? ? ? ? 100 PRO A N 1 +ATOM 777 C CA . PRO A 1 100 ? 103.041 31.956 9.019 1.00 12.63 ? ? ? ? ? ? 100 PRO A CA 1 +ATOM 778 C C . PRO A 1 100 ? 102.042 32.930 9.630 1.00 11.52 ? ? ? ? ? ? 100 PRO A C 1 +ATOM 779 O O . PRO A 1 100 ? 100.896 32.582 9.785 1.00 13.70 ? ? ? ? ? ? 100 PRO A O 1 +ATOM 780 C CB . PRO A 1 100 ? 103.901 31.226 10.067 1.00 11.49 ? ? ? ? ? ? 100 PRO A CB 1 +ATOM 781 C CG . PRO A 1 100 ? 105.231 31.871 9.975 1.00 11.36 ? ? ? ? ? ? 100 PRO A CG 1 +ATOM 782 C CD . PRO A 1 100 ? 105.375 32.044 8.475 1.00 13.33 ? ? ? ? ? ? 100 PRO A CD 1 +ATOM 783 N N . ASP A 1 101 ? 102.451 34.156 9.917 1.00 11.79 ? ? ? ? ? ? 101 ASP A N 1 +ATOM 784 C CA . ASP A 1 101 ? 101.557 35.167 10.509 1.00 10.69 ? ? ? ? ? ? 101 ASP A CA 1 +ATOM 785 C C . ASP A 1 101 ? 100.431 35.650 9.613 1.00 10.79 ? ? ? ? ? ? 101 ASP A C 1 +ATOM 786 O O . ASP A 1 101 ? 99.626 36.484 10.034 1.00 11.72 ? ? ? ? ? ? 101 ASP A O 1 +ATOM 787 C CB . ASP A 1 101 ? 102.323 36.409 10.937 1.00 10.42 ? ? ? ? ? ? 101 ASP A CB 1 +ATOM 788 C CG . ASP A 1 101 ? 103.188 36.181 12.148 1.00 10.85 ? ? ? ? ? ? 101 ASP A CG 1 +ATOM 789 O OD1 . ASP A 1 101 ? 103.510 35.017 12.460 1.00 8.84 ? ? ? ? ? ? 101 ASP A OD1 1 +ATOM 790 O OD2 . ASP A 1 101 ? 103.562 37.197 12.774 1.00 14.05 ? ? ? ? ? ? 101 ASP A OD2 1 +ATOM 791 N N . ALA A 1 102 ? 100.400 35.210 8.360 1.00 9.46 ? ? ? ? ? ? 102 ALA A N 1 +ATOM 792 C CA . ALA A 1 102 ? 99.323 35.631 7.482 1.00 7.69 ? ? ? ? ? ? 102 ALA A CA 1 +ATOM 793 C C . ALA A 1 102 ? 98.065 34.831 7.791 1.00 7.73 ? ? ? ? ? ? 102 ALA A C 1 +ATOM 794 O O . ALA A 1 102 ? 97.039 35.061 7.173 1.00 7.40 ? ? ? ? ? ? 102 ALA A O 1 +ATOM 795 C CB . ALA A 1 102 ? 99.710 35.420 6.068 1.00 8.68 ? ? ? ? ? ? 102 ALA A CB 1 +ATOM 796 N N . ILE A 1 103 ? 98.163 33.873 8.719 1.00 7.63 ? ? ? ? ? ? 103 ILE A N 1 +ATOM 797 C CA . ILE A 1 103 ? 97.053 32.998 9.119 1.00 7.20 ? ? ? ? ? ? 103 ILE A CA 1 +ATOM 798 C C . ILE A 1 103 ? 96.660 33.299 10.555 1.00 8.32 ? ? ? ? ? ? 103 ILE A C 1 +ATOM 799 O O . ILE A 1 103 ? 97.539 33.471 11.391 1.00 9.25 ? ? ? ? ? ? 103 ILE A O 1 +ATOM 800 C CB . ILE A 1 103 ? 97.478 31.533 9.067 1.00 5.34 ? ? ? ? ? ? 103 ILE A CB 1 +ATOM 801 C CG1 . ILE A 1 103 ? 97.666 31.103 7.619 1.00 5.62 ? ? ? ? ? ? 103 ILE A CG1 1 +ATOM 802 C CG2 . ILE A 1 103 ? 96.502 30.657 9.811 1.00 3.79 ? ? ? ? ? ? 103 ILE A CG2 1 +ATOM 803 C CD1 . ILE A 1 103 ? 99.038 30.547 7.362 1.00 7.09 ? ? ? ? ? ? 103 ILE A CD1 1 +ATOM 804 N N . GLN A 1 104 ? 95.355 33.360 10.841 1.00 7.14 ? ? ? ? ? ? 104 GLN A N 1 +ATOM 805 C CA . GLN A 1 104 ? 94.879 33.636 12.187 1.00 6.92 ? ? ? ? ? ? 104 GLN A CA 1 +ATOM 806 C C . GLN A 1 104 ? 93.976 32.482 12.579 1.00 7.22 ? ? ? ? ? ? 104 GLN A C 1 +ATOM 807 O O . GLN A 1 104 ? 93.143 32.080 11.776 1.00 8.70 ? ? ? ? ? ? 104 GLN A O 1 +ATOM 808 C CB . GLN A 1 104 ? 94.072 34.934 12.197 1.00 8.55 ? ? ? ? ? ? 104 GLN A CB 1 +ATOM 809 C CG . GLN A 1 104 ? 93.316 35.234 13.508 1.00 9.03 ? ? ? ? ? ? 104 GLN A CG 1 +ATOM 810 C CD . GLN A 1 104 ? 94.238 35.621 14.653 1.00 8.09 ? ? ? ? ? ? 104 GLN A CD 1 +ATOM 811 O OE1 . GLN A 1 104 ? 95.207 36.327 14.454 1.00 12.51 ? ? ? ? ? ? 104 GLN A OE1 1 +ATOM 812 N NE2 . GLN A 1 104 ? 93.934 35.166 15.845 1.00 7.05 ? ? ? ? ? ? 104 GLN A NE2 1 +ATOM 813 N N . THR A 1 105 ? 94.132 31.958 13.797 1.00 5.04 ? ? ? ? ? ? 105 THR A N 1 +ATOM 814 C CA . THR A 1 105 ? 93.326 30.849 14.277 1.00 4.79 ? ? ? ? ? ? 105 THR A CA 1 +ATOM 815 C C . THR A 1 105 ? 92.652 31.277 15.587 1.00 7.05 ? ? ? ? ? ? 105 THR A C 1 +ATOM 816 O O . THR A 1 105 ? 93.084 32.254 16.206 1.00 6.59 ? ? ? ? ? ? 105 THR A O 1 +ATOM 817 C CB . THR A 1 105 ? 94.193 29.558 14.524 1.00 4.59 ? ? ? ? ? ? 105 THR A CB 1 +ATOM 818 O OG1 . THR A 1 105 ? 95.060 29.727 15.658 1.00 2.00 ? ? ? ? ? ? 105 THR A OG1 1 +ATOM 819 C CG2 . THR A 1 105 ? 95.048 29.237 13.298 1.00 4.72 ? ? ? ? ? ? 105 THR A CG2 1 +ATOM 820 N N . THR A 1 106 ? 91.555 30.619 15.970 1.00 6.98 ? ? ? ? ? ? 106 THR A N 1 +ATOM 821 C CA . THR A 1 106 ? 90.899 30.956 17.224 1.00 9.02 ? ? ? ? ? ? 106 THR A CA 1 +ATOM 822 C C . THR A 1 106 ? 90.622 29.649 17.936 1.00 10.21 ? ? ? ? ? ? 106 THR A C 1 +ATOM 823 O O . THR A 1 106 ? 90.561 28.608 17.297 1.00 11.73 ? ? ? ? ? ? 106 THR A O 1 +ATOM 824 C CB . THR A 1 106 ? 89.535 31.691 17.042 1.00 9.82 ? ? ? ? ? ? 106 THR A CB 1 +ATOM 825 O OG1 . THR A 1 106 ? 88.503 30.744 16.734 1.00 10.13 ? ? ? ? ? ? 106 THR A OG1 1 +ATOM 826 C CG2 . THR A 1 106 ? 89.607 32.718 15.923 1.00 11.71 ? ? ? ? ? ? 106 THR A CG2 1 +ATOM 827 N N . GLY A 1 107 ? 90.563 29.693 19.263 1.00 10.03 ? ? ? ? ? ? 107 GLY A N 1 +ATOM 828 C CA . GLY A 1 107 ? 90.227 28.508 20.018 1.00 9.25 ? ? ? ? ? ? 107 GLY A CA 1 +ATOM 829 C C . GLY A 1 107 ? 88.719 28.621 20.205 1.00 9.84 ? ? ? ? ? ? 107 GLY A C 1 +ATOM 830 O O . GLY A 1 107 ? 88.062 29.390 19.495 1.00 9.20 ? ? ? ? ? ? 107 GLY A O 1 +ATOM 831 N N . SER A 1 108 ? 88.153 27.874 21.146 1.00 10.71 ? ? ? ? ? ? 108 SER A N 1 +ATOM 832 C CA . SER A 1 108 ? 86.715 27.937 21.403 1.00 10.57 ? ? ? ? ? ? 108 SER A CA 1 +ATOM 833 C C . SER A 1 108 ? 86.431 27.641 22.872 1.00 11.02 ? ? ? ? ? ? 108 SER A C 1 +ATOM 834 O O . SER A 1 108 ? 86.894 26.654 23.441 1.00 11.29 ? ? ? ? ? ? 108 SER A O 1 +ATOM 835 C CB . SER A 1 108 ? 85.937 26.981 20.494 1.00 10.03 ? ? ? ? ? ? 108 SER A CB 1 +ATOM 836 O OG . SER A 1 108 ? 84.542 27.165 20.666 1.00 9.79 ? ? ? ? ? ? 108 SER A OG 1 +ATOM 837 N N . SER A 1 109 ? 85.682 28.528 23.489 1.00 12.53 ? ? ? ? ? ? 109 SER A N 1 +ATOM 838 C CA . SER A 1 109 ? 85.341 28.399 24.884 1.00 15.34 ? ? ? ? ? ? 109 SER A CA 1 +ATOM 839 C C . SER A 1 109 ? 84.069 27.605 25.152 1.00 16.79 ? ? ? ? ? ? 109 SER A C 1 +ATOM 840 O O . SER A 1 109 ? 83.606 27.589 26.296 1.00 17.42 ? ? ? ? ? ? 109 SER A O 1 +ATOM 841 C CB . SER A 1 109 ? 85.181 29.788 25.457 1.00 16.20 ? ? ? ? ? ? 109 SER A CB 1 +ATOM 842 O OG . SER A 1 109 ? 86.128 30.653 24.862 1.00 19.07 ? ? ? ? ? ? 109 SER A OG 1 +ATOM 843 N N . ARG A 1 110 ? 83.474 26.996 24.118 1.00 16.85 ? ? ? ? ? ? 110 ARG A N 1 +ATOM 844 C CA . ARG A 1 110 ? 82.248 26.222 24.321 1.00 17.04 ? ? ? ? ? ? 110 ARG A CA 1 +ATOM 845 C C . ARG A 1 110 ? 82.444 24.725 24.436 1.00 17.08 ? ? ? ? ? ? 110 ARG A C 1 +ATOM 846 O O . ARG A 1 110 ? 83.478 24.276 24.924 1.00 19.93 ? ? ? ? ? ? 110 ARG A O 1 +ATOM 847 C CB . ARG A 1 110 ? 81.190 26.564 23.286 1.00 15.32 ? ? ? ? ? ? 110 ARG A CB 1 +ATOM 848 C CG . ARG A 1 110 ? 80.830 28.033 23.303 1.00 16.74 ? ? ? ? ? ? 110 ARG A CG 1 +ATOM 849 C CD . ARG A 1 110 ? 80.354 28.522 24.661 1.00 15.46 ? ? ? ? ? ? 110 ARG A CD 1 +ATOM 850 N NE . ARG A 1 110 ? 78.938 28.840 24.610 1.00 17.98 ? ? ? ? ? ? 110 ARG A NE 1 +ATOM 851 C CZ . ARG A 1 110 ? 77.970 27.928 24.641 1.00 19.46 ? ? ? ? ? ? 110 ARG A CZ 1 +ATOM 852 N NH1 . ARG A 1 110 ? 78.256 26.644 24.742 1.00 21.83 ? ? ? ? ? ? 110 ARG A NH1 1 +ATOM 853 N NH2 . ARG A 1 110 ? 76.713 28.283 24.469 1.00 21.23 ? ? ? ? ? ? 110 ARG A NH2 1 +ATOM 854 N N . GLY A 1 111 ? 81.475 23.950 23.973 1.00 15.71 ? ? ? ? ? ? 111 GLY A N 1 +ATOM 855 C CA . GLY A 1 111 ? 81.561 22.505 24.086 1.00 15.06 ? ? ? ? ? ? 111 GLY A CA 1 +ATOM 856 C C . GLY A 1 111 ? 82.799 21.669 23.743 1.00 14.50 ? ? ? ? ? ? 111 GLY A C 1 +ATOM 857 O O . GLY A 1 111 ? 82.781 20.483 24.048 1.00 16.34 ? ? ? ? ? ? 111 GLY A O 1 +ATOM 858 N N . THR A 1 112 ? 83.853 22.206 23.132 1.00 13.42 ? ? ? ? ? ? 112 THR A N 1 +ATOM 859 C CA . THR A 1 112 ? 85.011 21.367 22.783 1.00 12.22 ? ? ? ? ? ? 112 THR A CA 1 +ATOM 860 C C . THR A 1 112 ? 85.831 20.781 23.910 1.00 12.28 ? ? ? ? ? ? 112 THR A C 1 +ATOM 861 O O . THR A 1 112 ? 86.222 19.619 23.863 1.00 12.90 ? ? ? ? ? ? 112 THR A O 1 +ATOM 862 C CB . THR A 1 112 ? 86.020 22.051 21.865 1.00 13.08 ? ? ? ? ? ? 112 THR A CB 1 +ATOM 863 O OG1 . THR A 1 112 ? 85.861 23.481 21.885 1.00 15.49 ? ? ? ? ? ? 112 THR A OG1 1 +ATOM 864 C CG2 . THR A 1 112 ? 85.905 21.513 20.502 1.00 7.69 ? ? ? ? ? ? 112 THR A CG2 1 +ATOM 865 N N . GLY A 1 113 ? 86.136 21.582 24.908 1.00 11.49 ? ? ? ? ? ? 113 GLY A N 1 +ATOM 866 C CA . GLY A 1 113 ? 86.933 21.070 25.993 1.00 10.63 ? ? ? ? ? ? 113 GLY A CA 1 +ATOM 867 C C . GLY A 1 113 ? 88.280 21.742 25.932 1.00 12.01 ? ? ? ? ? ? 113 GLY A C 1 +ATOM 868 O O . GLY A 1 113 ? 88.593 22.486 24.992 1.00 12.02 ? ? ? ? ? ? 113 GLY A O 1 +ATOM 869 N N . ASN A 1 114 ? 89.068 21.501 26.969 1.00 12.55 ? ? ? ? ? ? 114 ASN A N 1 +ATOM 870 C CA . ASN A 1 114 ? 90.401 22.047 27.093 1.00 10.97 ? ? ? ? ? ? 114 ASN A CA 1 +ATOM 871 C C . ASN A 1 114 ? 91.354 21.367 26.148 1.00 12.80 ? ? ? ? ? ? 114 ASN A C 1 +ATOM 872 O O . ASN A 1 114 ? 92.232 22.011 25.579 1.00 15.77 ? ? ? ? ? ? 114 ASN A O 1 +ATOM 873 C CB . ASN A 1 114 ? 90.892 21.865 28.516 1.00 7.94 ? ? ? ? ? ? 114 ASN A CB 1 +ATOM 874 C CG . ASN A 1 114 ? 90.408 22.936 29.411 1.00 4.67 ? ? ? ? ? ? 114 ASN A CG 1 +ATOM 875 O OD1 . ASN A 1 114 ? 89.868 23.914 28.953 1.00 3.27 ? ? ? ? ? ? 114 ASN A OD1 1 +ATOM 876 N ND2 . ASN A 1 114 ? 90.613 22.778 30.693 1.00 8.00 ? ? ? ? ? ? 114 ASN A ND2 1 +ATOM 877 N N . GLU A 1 115 ? 91.144 20.076 25.933 1.00 13.44 ? ? ? ? ? ? 115 GLU A N 1 +ATOM 878 C CA . GLU A 1 115 ? 92.005 19.283 25.052 1.00 14.31 ? ? ? ? ? ? 115 GLU A CA 1 +ATOM 879 C C . GLU A 1 115 ? 92.182 19.872 23.653 1.00 14.02 ? ? ? ? ? ? 115 GLU A C 1 +ATOM 880 O O . GLU A 1 115 ? 93.311 19.990 23.154 1.00 14.75 ? ? ? ? ? ? 115 GLU A O 1 +ATOM 881 C CB . GLU A 1 115 ? 91.489 17.843 24.938 1.00 13.99 ? ? ? ? ? ? 115 GLU A CB 1 +ATOM 882 C CG . GLU A 1 115 ? 91.585 17.021 26.231 1.00 14.40 ? ? ? ? ? ? 115 GLU A CG 1 +ATOM 883 C CD . GLU A 1 115 ? 90.485 17.307 27.226 1.00 14.61 ? ? ? ? ? ? 115 GLU A CD 1 +ATOM 884 O OE1 . GLU A 1 115 ? 89.570 18.082 26.923 1.00 17.30 ? ? ? ? ? ? 115 GLU A OE1 1 +ATOM 885 O OE2 . GLU A 1 115 ? 90.523 16.760 28.337 1.00 16.42 ? ? ? ? ? ? 115 GLU A OE2 1 +ATOM 886 N N . THR A 1 116 ? 91.082 20.306 23.048 1.00 13.32 ? ? ? ? ? ? 116 THR A N 1 +ATOM 887 C CA . THR A 1 116 ? 91.172 20.818 21.705 1.00 13.92 ? ? ? ? ? ? 116 THR A CA 1 +ATOM 888 C C . THR A 1 116 ? 91.687 22.232 21.617 1.00 14.69 ? ? ? ? ? ? 116 THR A C 1 +ATOM 889 O O . THR A 1 116 ? 92.264 22.616 20.591 1.00 16.29 ? ? ? ? ? ? 116 THR A O 1 +ATOM 890 C CB . THR A 1 116 ? 89.884 20.573 20.879 1.00 14.93 ? ? ? ? ? ? 116 THR A CB 1 +ATOM 891 O OG1 . THR A 1 116 ? 89.440 21.783 20.256 1.00 17.96 ? ? ? ? ? ? 116 THR A OG1 1 +ATOM 892 C CG2 . THR A 1 116 ? 88.794 20.003 21.728 1.00 15.50 ? ? ? ? ? ? 116 THR A CG2 1 +ATOM 893 N N . ASN A 1 117 ? 91.508 23.025 22.674 1.00 12.85 ? ? ? ? ? ? 117 ASN A N 1 +ATOM 894 C CA . ASN A 1 117 ? 92.052 24.381 22.636 1.00 9.63 ? ? ? ? ? ? 117 ASN A CA 1 +ATOM 895 C C . ASN A 1 117 ? 93.603 24.227 22.637 1.00 9.33 ? ? ? ? ? ? 117 ASN A C 1 +ATOM 896 O O . ASN A 1 117 ? 94.342 24.871 21.856 1.00 5.29 ? ? ? ? ? ? 117 ASN A O 1 +ATOM 897 C CB . ASN A 1 117 ? 91.501 25.211 23.795 1.00 6.61 ? ? ? ? ? ? 117 ASN A CB 1 +ATOM 898 C CG . ASN A 1 117 ? 90.113 25.809 23.476 1.00 7.06 ? ? ? ? ? ? 117 ASN A CG 1 +ATOM 899 O OD1 . ASN A 1 117 ? 90.003 26.827 22.791 1.00 6.14 ? ? ? ? ? ? 117 ASN A OD1 1 +ATOM 900 N ND2 . ASN A 1 117 ? 89.060 25.175 23.968 1.00 4.75 ? ? ? ? ? ? 117 ASN A ND2 1 +ATOM 901 N N . TYR A 1 118 ? 94.060 23.253 23.420 1.00 10.56 ? ? ? ? ? ? 118 TYR A N 1 +ATOM 902 C CA . TYR A 1 118 ? 95.471 22.929 23.510 1.00 10.82 ? ? ? ? ? ? 118 TYR A CA 1 +ATOM 903 C C . TYR A 1 118 ? 95.920 22.517 22.118 1.00 11.86 ? ? ? ? ? ? 118 TYR A C 1 +ATOM 904 O O . TYR A 1 118 ? 96.880 23.063 21.591 1.00 13.93 ? ? ? ? ? ? 118 TYR A O 1 +ATOM 905 C CB . TYR A 1 118 ? 95.724 21.796 24.510 1.00 8.60 ? ? ? ? ? ? 118 TYR A CB 1 +ATOM 906 C CG . TYR A 1 118 ? 97.141 21.263 24.424 1.00 9.40 ? ? ? ? ? ? 118 TYR A CG 1 +ATOM 907 C CD1 . TYR A 1 118 ? 98.219 21.984 24.944 1.00 7.34 ? ? ? ? ? ? 118 TYR A CD1 1 +ATOM 908 C CD2 . TYR A 1 118 ? 97.414 20.070 23.744 1.00 9.86 ? ? ? ? ? ? 118 TYR A CD2 1 +ATOM 909 C CE1 . TYR A 1 118 ? 99.529 21.527 24.780 1.00 7.10 ? ? ? ? ? ? 118 TYR A CE1 1 +ATOM 910 C CE2 . TYR A 1 118 ? 98.717 19.612 23.571 1.00 7.79 ? ? ? ? ? ? 118 TYR A CE2 1 +ATOM 911 C CZ . TYR A 1 118 ? 99.768 20.336 24.087 1.00 7.15 ? ? ? ? ? ? 118 TYR A CZ 1 +ATOM 912 O OH . TYR A 1 118 ? 101.049 19.851 23.910 1.00 5.14 ? ? ? ? ? ? 118 TYR A OH 1 +ATOM 913 N N . VAL A 1 119 ? 95.234 21.560 21.513 1.00 12.94 ? ? ? ? ? ? 119 VAL A N 1 +ATOM 914 C CA . VAL A 1 119 ? 95.606 21.137 20.160 1.00 14.95 ? ? ? ? ? ? 119 VAL A CA 1 +ATOM 915 C C . VAL A 1 119 ? 95.635 22.325 19.162 1.00 15.86 ? ? ? ? ? ? 119 VAL A C 1 +ATOM 916 O O . VAL A 1 119 ? 96.545 22.423 18.327 1.00 17.16 ? ? ? ? ? ? 119 VAL A O 1 +ATOM 917 C CB . VAL A 1 119 ? 94.628 20.058 19.606 1.00 16.02 ? ? ? ? ? ? 119 VAL A CB 1 +ATOM 918 C CG1 . VAL A 1 119 ? 94.940 19.757 18.146 1.00 15.43 ? ? ? ? ? ? 119 VAL A CG1 1 +ATOM 919 C CG2 . VAL A 1 119 ? 94.682 18.776 20.448 1.00 15.00 ? ? ? ? ? ? 119 VAL A CG2 1 +ATOM 920 N N . MET A 1 120 ? 94.671 23.242 19.258 1.00 15.49 ? ? ? ? ? ? 120 MET A N 1 +ATOM 921 C CA . MET A 1 120 ? 94.641 24.363 18.325 1.00 15.31 ? ? ? ? ? ? 120 MET A CA 1 +ATOM 922 C C . MET A 1 120 ? 95.855 25.260 18.427 1.00 15.30 ? ? ? ? ? ? 120 MET A C 1 +ATOM 923 O O . MET A 1 120 ? 96.455 25.582 17.408 1.00 14.43 ? ? ? ? ? ? 120 MET A O 1 +ATOM 924 C CB . MET A 1 120 ? 93.365 25.189 18.453 1.00 15.35 ? ? ? ? ? ? 120 MET A CB 1 +ATOM 925 C CG . MET A 1 120 ? 93.304 26.372 17.467 1.00 15.15 ? ? ? ? ? ? 120 MET A CG 1 +ATOM 926 S SD . MET A 1 120 ? 93.368 25.949 15.699 1.00 14.37 ? ? ? ? ? ? 120 MET A SD 1 +ATOM 927 C CE . MET A 1 120 ? 91.657 26.218 15.210 1.00 12.51 ? ? ? ? ? ? 120 MET A CE 1 +ATOM 928 N N . GLN A 1 121 ? 96.240 25.648 19.642 1.00 15.67 ? ? ? ? ? ? 121 GLN A N 1 +ATOM 929 C CA . GLN A 1 121 ? 97.410 26.499 19.779 1.00 15.96 ? ? ? ? ? ? 121 GLN A CA 1 +ATOM 930 C C . GLN A 1 121 ? 98.606 25.730 19.272 1.00 16.34 ? ? ? ? ? ? 121 GLN A C 1 +ATOM 931 O O . GLN A 1 121 ? 99.374 26.245 18.481 1.00 18.25 ? ? ? ? ? ? 121 GLN A O 1 +ATOM 932 C CB . GLN A 1 121 ? 97.611 26.997 21.219 1.00 18.45 ? ? ? ? ? ? 121 GLN A CB 1 +ATOM 933 C CG . GLN A 1 121 ? 97.845 25.958 22.301 1.00 20.38 ? ? ? ? ? ? 121 GLN A CG 1 +ATOM 934 C CD . GLN A 1 121 ? 99.320 25.674 22.577 1.00 21.93 ? ? ? ? ? ? 121 GLN A CD 1 +ATOM 935 O OE1 . GLN A 1 121 ? 100.222 26.416 22.150 1.00 22.30 ? ? ? ? ? ? 121 GLN A OE1 1 +ATOM 936 N NE2 . GLN A 1 121 ? 99.572 24.591 23.305 1.00 20.54 ? ? ? ? ? ? 121 GLN A NE2 1 +ATOM 937 N N . LYS A 1 122 ? 98.683 24.450 19.615 1.00 16.06 ? ? ? ? ? ? 122 LYS A N 1 +ATOM 938 C CA . LYS A 1 122 ? 99.781 23.597 19.160 1.00 15.55 ? ? ? ? ? ? 122 LYS A CA 1 +ATOM 939 C C . LYS A 1 122 ? 99.954 23.604 17.637 1.00 15.82 ? ? ? ? ? ? 122 LYS A C 1 +ATOM 940 O O . LYS A 1 122 ? 101.078 23.628 17.124 1.00 15.88 ? ? ? ? ? ? 122 LYS A O 1 +ATOM 941 C CB . LYS A 1 122 ? 99.576 22.145 19.625 1.00 13.58 ? ? ? ? ? ? 122 LYS A CB 1 +ATOM 942 C CG . LYS A 1 122 ? 100.432 21.143 18.890 1.00 9.05 ? ? ? ? ? ? 122 LYS A CG 1 +ATOM 943 C CD . LYS A 1 122 ? 100.685 19.926 19.718 1.00 7.92 ? ? ? ? ? ? 122 LYS A CD 1 +ATOM 944 C CE . LYS A 1 122 ? 101.577 18.983 18.941 1.00 8.05 ? ? ? ? ? ? 122 LYS A CE 1 +ATOM 945 N NZ . LYS A 1 122 ? 101.857 17.705 19.653 1.00 7.90 ? ? ? ? ? ? 122 LYS A NZ 1 +ATOM 946 N N . PHE A 1 123 ? 98.848 23.569 16.916 1.00 14.89 ? ? ? ? ? ? 123 PHE A N 1 +ATOM 947 C CA . PHE A 1 123 ? 98.927 23.533 15.466 1.00 15.87 ? ? ? ? ? ? 123 PHE A CA 1 +ATOM 948 C C . PHE A 1 123 ? 99.361 24.885 14.899 1.00 16.36 ? ? ? ? ? ? 123 PHE A C 1 +ATOM 949 O O . PHE A 1 123 ? 100.129 24.950 13.931 1.00 18.46 ? ? ? ? ? ? 123 PHE A O 1 +ATOM 950 C CB . PHE A 1 123 ? 97.579 23.039 14.884 1.00 14.60 ? ? ? ? ? ? 123 PHE A CB 1 +ATOM 951 C CG . PHE A 1 123 ? 97.267 23.549 13.495 1.00 11.74 ? ? ? ? ? ? 123 PHE A CG 1 +ATOM 952 C CD1 . PHE A 1 123 ? 97.735 22.879 12.368 1.00 11.17 ? ? ? ? ? ? 123 PHE A CD1 1 +ATOM 953 C CD2 . PHE A 1 123 ? 96.466 24.671 13.320 1.00 8.72 ? ? ? ? ? ? 123 PHE A CD2 1 +ATOM 954 C CE1 . PHE A 1 123 ? 97.408 23.316 11.101 1.00 8.56 ? ? ? ? ? ? 123 PHE A CE1 1 +ATOM 955 C CE2 . PHE A 1 123 ? 96.135 25.113 12.053 1.00 9.82 ? ? ? ? ? ? 123 PHE A CE2 1 +ATOM 956 C CZ . PHE A 1 123 ? 96.607 24.435 10.940 1.00 8.57 ? ? ? ? ? ? 123 PHE A CZ 1 +ATOM 957 N N . ALA A 1 124 ? 98.930 25.963 15.531 1.00 15.20 ? ? ? ? ? ? 124 ALA A N 1 +ATOM 958 C CA . ALA A 1 124 ? 99.282 27.273 15.028 1.00 15.19 ? ? ? ? ? ? 124 ALA A CA 1 +ATOM 959 C C . ALA A 1 124 ? 100.782 27.502 15.210 1.00 15.47 ? ? ? ? ? ? 124 ALA A C 1 +ATOM 960 O O . ALA A 1 124 ? 101.483 27.927 14.280 1.00 15.96 ? ? ? ? ? ? 124 ALA A O 1 +ATOM 961 C CB . ALA A 1 124 ? 98.465 28.364 15.750 1.00 14.36 ? ? ? ? ? ? 124 ALA A CB 1 +ATOM 962 N N . ARG A 1 125 ? 101.283 27.124 16.380 1.00 14.69 ? ? ? ? ? ? 125 ARG A N 1 +ATOM 963 C CA . ARG A 1 125 ? 102.684 27.323 16.736 1.00 13.58 ? ? ? ? ? ? 125 ARG A CA 1 +ATOM 964 C C . ARG A 1 125 ? 103.708 26.345 16.190 1.00 14.03 ? ? ? ? ? ? 125 ARG A C 1 +ATOM 965 O O . ARG A 1 125 ? 104.800 26.754 15.811 1.00 15.17 ? ? ? ? ? ? 125 ARG A O 1 +ATOM 966 C CB . ARG A 1 125 ? 102.803 27.425 18.248 1.00 10.72 ? ? ? ? ? ? 125 ARG A CB 1 +ATOM 967 C CG . ARG A 1 125 ? 102.319 28.762 18.763 1.00 9.91 ? ? ? ? ? ? 125 ARG A CG 1 +ATOM 968 C CD . ARG A 1 125 ? 101.729 28.639 20.127 1.00 9.04 ? ? ? ? ? ? 125 ARG A CD 1 +ATOM 969 N NE . ARG A 1 125 ? 101.444 29.944 20.699 1.00 9.78 ? ? ? ? ? ? 125 ARG A NE 1 +ATOM 970 C CZ . ARG A 1 125 ? 100.581 30.142 21.684 1.00 10.44 ? ? ? ? ? ? 125 ARG A CZ 1 +ATOM 971 N NH1 . ARG A 1 125 ? 99.911 29.116 22.183 1.00 13.44 ? ? ? ? ? ? 125 ARG A NH1 1 +ATOM 972 N NH2 . ARG A 1 125 ? 100.447 31.342 22.229 1.00 10.44 ? ? ? ? ? ? 125 ARG A NH2 1 +ATOM 973 N N . ALA A 1 126 ? 103.364 25.060 16.178 1.00 13.74 ? ? ? ? ? ? 126 ALA A N 1 +ATOM 974 C CA . ALA A 1 126 ? 104.250 24.017 15.699 1.00 10.55 ? ? ? ? ? ? 126 ALA A CA 1 +ATOM 975 C C . ALA A 1 126 ? 104.066 23.738 14.231 1.00 10.93 ? ? ? ? ? ? 126 ALA A C 1 +ATOM 976 O O . ALA A 1 126 ? 105.035 23.466 13.534 1.00 13.25 ? ? ? ? ? ? 126 ALA A O 1 +ATOM 977 C CB . ALA A 1 126 ? 104.031 22.767 16.471 1.00 9.20 ? ? ? ? ? ? 126 ALA A CB 1 +ATOM 978 N N . VAL A 1 127 ? 102.834 23.776 13.746 1.00 9.87 ? ? ? ? ? ? 127 VAL A N 1 +ATOM 979 C CA . VAL A 1 127 ? 102.613 23.479 12.348 1.00 9.08 ? ? ? ? ? ? 127 VAL A CA 1 +ATOM 980 C C . VAL A 1 127 ? 102.711 24.729 11.493 1.00 11.01 ? ? ? ? ? ? 127 VAL A C 1 +ATOM 981 O O . VAL A 1 127 ? 103.525 24.790 10.574 1.00 12.25 ? ? ? ? ? ? 127 VAL A O 1 +ATOM 982 C CB . VAL A 1 127 ? 101.282 22.731 12.110 1.00 8.67 ? ? ? ? ? ? 127 VAL A CB 1 +ATOM 983 C CG1 . VAL A 1 127 ? 101.149 22.339 10.607 1.00 7.50 ? ? ? ? ? ? 127 VAL A CG1 1 +ATOM 984 C CG2 . VAL A 1 127 ? 101.212 21.476 13.006 1.00 6.50 ? ? ? ? ? ? 127 VAL A CG2 1 +ATOM 985 N N . ILE A 1 128 ? 101.902 25.735 11.794 1.00 11.74 ? ? ? ? ? ? 128 ILE A N 1 +ATOM 986 C CA . ILE A 1 128 ? 101.935 26.984 11.030 1.00 12.20 ? ? ? ? ? ? 128 ILE A CA 1 +ATOM 987 C C . ILE A 1 128 ? 103.177 27.820 11.393 1.00 13.04 ? ? ? ? ? ? 128 ILE A C 1 +ATOM 988 O O . ILE A 1 128 ? 103.831 28.388 10.513 1.00 12.44 ? ? ? ? ? ? 128 ILE A O 1 +ATOM 989 C CB . ILE A 1 128 ? 100.690 27.854 11.312 1.00 11.73 ? ? ? ? ? ? 128 ILE A CB 1 +ATOM 990 C CG1 . ILE A 1 128 ? 99.429 26.990 11.412 1.00 8.77 ? ? ? ? ? ? 128 ILE A CG1 1 +ATOM 991 C CG2 . ILE A 1 128 ? 100.529 28.893 10.189 1.00 14.51 ? ? ? ? ? ? 128 ILE A CG2 1 +ATOM 992 C CD1 . ILE A 1 128 ? 98.635 26.950 10.165 1.00 6.38 ? ? ? ? ? ? 128 ILE A CD1 1 +ATOM 993 N N . GLY A 1 129 ? 103.493 27.874 12.692 1.00 14.58 ? ? ? ? ? ? 129 GLY A N 1 +ATOM 994 C CA . GLY A 1 129 ? 104.630 28.643 13.194 1.00 13.93 ? ? ? ? ? ? 129 GLY A CA 1 +ATOM 995 C C . GLY A 1 129 ? 104.237 30.084 13.510 1.00 14.29 ? ? ? ? ? ? 129 GLY A C 1 +ATOM 996 O O . GLY A 1 129 ? 105.033 31.021 13.319 1.00 13.87 ? ? ? ? ? ? 129 GLY A O 1 +ATOM 997 N N . THR A 1 130 ? 103.019 30.255 14.020 1.00 13.24 ? ? ? ? ? ? 130 THR A N 1 +ATOM 998 C CA . THR A 1 130 ? 102.476 31.565 14.341 1.00 13.40 ? ? ? ? ? ? 130 THR A CA 1 +ATOM 999 C C . THR A 1 130 ? 101.980 31.541 15.769 1.00 13.59 ? ? ? ? ? ? 130 THR A C 1 +ATOM 1000 O O . THR A 1 130 ? 101.669 30.481 16.308 1.00 15.06 ? ? ? ? ? ? 130 THR A O 1 +ATOM 1001 C CB . THR A 1 130 ? 101.225 31.859 13.494 1.00 15.27 ? ? ? ? ? ? 130 THR A CB 1 +ATOM 1002 O OG1 . THR A 1 130 ? 101.286 31.144 12.263 1.00 17.32 ? ? ? ? ? ? 130 THR A OG1 1 +ATOM 1003 C CG2 . THR A 1 130 ? 101.110 33.302 13.183 1.00 17.40 ? ? ? ? ? ? 130 THR A CG2 1 +ATOM 1004 N N . ASN A 1 131 ? 101.883 32.708 16.381 1.00 14.05 ? ? ? ? ? ? 131 ASN A N 1 +ATOM 1005 C CA . ASN A 1 131 ? 101.350 32.811 17.736 1.00 13.96 ? ? ? ? ? ? 131 ASN A CA 1 +ATOM 1006 C C . ASN A 1 131 ? 99.934 33.375 17.608 1.00 14.16 ? ? ? ? ? ? 131 ASN A C 1 +ATOM 1007 O O . ASN A 1 131 ? 99.294 33.677 18.606 1.00 15.41 ? ? ? ? ? ? 131 ASN A O 1 +ATOM 1008 C CB . ASN A 1 131 ? 102.224 33.703 18.626 1.00 13.91 ? ? ? ? ? ? 131 ASN A CB 1 +ATOM 1009 C CG . ASN A 1 131 ? 103.463 32.983 19.151 1.00 15.03 ? ? ? ? ? ? 131 ASN A CG 1 +ATOM 1010 O OD1 . ASN A 1 131 ? 103.563 31.767 19.076 1.00 16.29 ? ? ? ? ? ? 131 ASN A OD1 1 +ATOM 1011 N ND2 . ASN A 1 131 ? 104.411 33.742 19.689 1.00 15.28 ? ? ? ? ? ? 131 ASN A ND2 1 +ATOM 1012 N N . ASN A 1 132 ? 99.466 33.526 16.364 1.00 15.02 ? ? ? ? ? ? 132 ASN A N 1 +ATOM 1013 C CA . ASN A 1 132 ? 98.108 34.015 16.042 1.00 16.42 ? ? ? ? ? ? 132 ASN A CA 1 +ATOM 1014 C C . ASN A 1 132 ? 97.012 33.037 16.541 1.00 17.22 ? ? ? ? ? ? 132 ASN A C 1 +ATOM 1015 O O . ASN A 1 132 ? 96.367 32.364 15.727 1.00 16.38 ? ? ? ? ? ? 132 ASN A O 1 +ATOM 1016 C CB . ASN A 1 132 ? 97.930 34.138 14.518 1.00 15.13 ? ? ? ? ? ? 132 ASN A CB 1 +ATOM 1017 C CG . ASN A 1 132 ? 98.521 35.396 13.947 1.00 13.43 ? ? ? ? ? ? 132 ASN A CG 1 +ATOM 1018 O OD1 . ASN A 1 132 ? 99.220 36.122 14.621 1.00 15.73 ? ? ? ? ? ? 132 ASN A OD1 1 +ATOM 1019 N ND2 . ASN A 1 132 ? 98.219 35.670 12.694 1.00 13.26 ? ? ? ? ? ? 132 ASN A ND2 1 +ATOM 1020 N N . VAL A 1 133 ? 96.842 32.927 17.859 1.00 18.24 ? ? ? ? ? ? 133 VAL A N 1 +ATOM 1021 C CA . VAL A 1 133 ? 95.833 32.048 18.454 1.00 19.18 ? ? ? ? ? ? 133 VAL A CA 1 +ATOM 1022 C C . VAL A 1 133 ? 95.183 32.848 19.546 1.00 21.02 ? ? ? ? ? ? 133 VAL A C 1 +ATOM 1023 O O . VAL A 1 133 ? 95.846 33.200 20.517 1.00 22.40 ? ? ? ? ? ? 133 VAL A O 1 +ATOM 1024 C CB . VAL A 1 133 ? 96.420 30.802 19.164 1.00 18.15 ? ? ? ? ? ? 133 VAL A CB 1 +ATOM 1025 C CG1 . VAL A 1 133 ? 95.796 29.544 18.585 1.00 15.92 ? ? ? ? ? ? 133 VAL A CG1 1 +ATOM 1026 C CG2 . VAL A 1 133 ? 97.954 30.798 19.140 1.00 15.87 ? ? ? ? ? ? 133 VAL A CG2 1 +ATOM 1027 N N . ASP A 1 134 ? 93.878 33.046 19.455 1.00 21.27 ? ? ? ? ? ? 134 ASP A N 1 +ATOM 1028 C CA . ASP A 1 134 ? 93.188 33.837 20.450 1.00 21.86 ? ? ? ? ? ? 134 ASP A CA 1 +ATOM 1029 C C . ASP A 1 134 ? 91.796 33.258 20.642 1.00 23.67 ? ? ? ? ? ? 134 ASP A C 1 +ATOM 1030 O O . ASP A 1 134 ? 91.362 32.389 19.876 1.00 24.01 ? ? ? ? ? ? 134 ASP A O 1 +ATOM 1031 C CB . ASP A 1 134 ? 93.125 35.287 19.940 1.00 21.31 ? ? ? ? ? ? 134 ASP A CB 1 +ATOM 1032 C CG . ASP A 1 134 ? 92.791 36.295 21.031 1.00 22.51 ? ? ? ? ? ? 134 ASP A CG 1 +ATOM 1033 O OD1 . ASP A 1 134 ? 92.807 35.961 22.241 1.00 22.84 ? ? ? ? ? ? 134 ASP A OD1 1 +ATOM 1034 O OD2 . ASP A 1 134 ? 92.517 37.454 20.660 1.00 19.76 ? ? ? ? ? ? 134 ASP A OD2 1 +ATOM 1035 N N . CYS A 1 135 ? 91.113 33.699 21.691 1.00 25.58 ? ? ? ? ? ? 135 CYS A N 1 +ATOM 1036 C CA . CYS A 1 135 ? 89.763 33.236 21.970 1.00 26.70 ? ? ? ? ? ? 135 CYS A CA 1 +ATOM 1037 C C . CYS A 1 135 ? 88.992 34.410 22.548 1.00 27.70 ? ? ? ? ? ? 135 CYS A C 1 +ATOM 1038 O O . CYS A 1 135 ? 89.582 35.472 22.769 1.00 27.42 ? ? ? ? ? ? 135 CYS A O 1 +ATOM 1039 C CB . CYS A 1 135 ? 89.770 32.030 22.918 1.00 26.46 ? ? ? ? ? ? 135 CYS A CB 1 +ATOM 1040 S SG . CYS A 1 135 ? 90.088 32.391 24.622 1.00 24.77 ? ? ? ? ? ? 135 CYS A SG 1 +ATOM 1041 N N . CYS A 1 136 ? 87.703 34.197 22.844 1.00 29.45 ? ? ? ? ? ? 136 CYS A N 1 +ATOM 1042 C CA . CYS A 1 136 ? 86.795 35.244 23.341 1.00 30.48 ? ? ? ? ? ? 136 CYS A CA 1 +ATOM 1043 C C . CYS A 1 136 ? 87.148 35.973 24.631 1.00 30.67 ? ? ? ? ? ? 136 CYS A C 1 +ATOM 1044 O O . CYS A 1 136 ? 86.430 36.883 25.060 1.00 29.00 ? ? ? ? ? ? 136 CYS A O 1 +ATOM 1045 C CB . CYS A 1 136 ? 85.358 34.740 23.394 1.00 31.38 ? ? ? ? ? ? 136 CYS A CB 1 +ATOM 1046 S SG . CYS A 1 136 ? 85.092 33.450 24.564 1.00 37.02 ? ? ? ? ? ? 136 CYS A SG 1 +ATOM 1047 N N . ALA A 1 137 ? 88.268 35.596 25.237 1.00 31.54 ? ? ? ? ? ? 137 ALA A N 1 +ATOM 1048 C CA . ALA A 1 137 ? 88.736 36.271 26.429 1.00 32.32 ? ? ? ? ? ? 137 ALA A CA 1 +ATOM 1049 C C . ALA A 1 137 ? 88.877 37.714 25.943 1.00 32.66 ? ? ? ? ? ? 137 ALA A C 1 +ATOM 1050 O O . ALA A 1 137 ? 88.540 38.661 26.641 1.00 33.54 ? ? ? ? ? ? 137 ALA A O 1 +ATOM 1051 C CB . ALA A 1 137 ? 90.086 35.717 26.832 1.00 31.85 ? ? ? ? ? ? 137 ALA A CB 1 +ATOM 1052 N N . ARG A 1 138 ? 89.280 37.827 24.683 1.00 32.36 ? ? ? ? ? ? 138 ARG A N 1 +ATOM 1053 C CA . ARG A 1 138 ? 89.475 39.078 23.957 1.00 32.73 ? ? ? ? ? ? 138 ARG A CA 1 +ATOM 1054 C C . ARG A 1 138 ? 88.312 40.055 24.096 1.00 31.57 ? ? ? ? ? ? 138 ARG A C 1 +ATOM 1055 O O . ARG A 1 138 ? 88.482 41.255 24.299 1.00 31.54 ? ? ? ? ? ? 138 ARG A O 1 +ATOM 1056 C CB . ARG A 1 138 ? 89.610 38.737 22.466 1.00 32.92 ? ? ? ? ? ? 138 ARG A CB 1 +ATOM 1057 C CG . ARG A 1 138 ? 90.109 39.861 21.582 1.00 33.56 ? ? ? ? ? ? 138 ARG A CG 1 +ATOM 1058 C CD . ARG A 1 138 ? 91.613 40.012 21.707 1.00 33.08 ? ? ? ? ? ? 138 ARG A CD 1 +ATOM 1059 N NE . ARG A 1 138 ? 92.044 40.363 23.054 1.00 33.33 ? ? ? ? ? ? 138 ARG A NE 1 +ATOM 1060 C CZ . ARG A 1 138 ? 92.958 39.700 23.754 1.00 34.07 ? ? ? ? ? ? 138 ARG A CZ 1 +ATOM 1061 N NH1 . ARG A 1 138 ? 93.545 38.626 23.257 1.00 35.74 ? ? ? ? ? ? 138 ARG A NH1 1 +ATOM 1062 N NH2 . ARG A 1 138 ? 93.333 40.150 24.942 1.00 36.08 ? ? ? ? ? ? 138 ARG A NH2 1 +ATOM 1063 N N . VAL A 1 139 ? 87.124 39.504 23.990 1.00 31.00 ? ? ? ? ? ? 139 VAL A N 1 +ATOM 1064 C CA . VAL A 1 139 ? 85.895 40.268 24.029 1.00 31.35 ? ? ? ? ? ? 139 VAL A CA 1 +ATOM 1065 C C . VAL A 1 139 ? 85.147 40.204 25.387 1.00 30.23 ? ? ? ? ? ? 139 VAL A C 1 +ATOM 1066 O O . VAL A 1 139 ? 84.184 40.948 25.636 1.00 29.30 ? ? ? ? ? ? 139 VAL A O 1 +ATOM 1067 C CB . VAL A 1 139 ? 85.047 39.771 22.817 1.00 31.77 ? ? ? ? ? ? 139 VAL A CB 1 +ATOM 1068 C CG1 . VAL A 1 139 ? 83.591 39.840 23.083 1.00 33.06 ? ? ? ? ? ? 139 VAL A CG1 1 +ATOM 1069 C CG2 . VAL A 1 139 ? 85.435 40.559 21.555 1.00 31.43 ? ? ? ? ? ? 139 VAL A CG2 1 +ATOM 1070 N N . CSE A 1 140 ? 85.635 39.346 26.276 1.00 29.32 ? ? ? ? ? ? 140 CSE A N 1 +ATOM 1071 C CA . CSE A 1 140 ? 85.027 39.153 27.583 1.00 27.91 ? ? ? ? ? ? 140 CSE A CA 1 +ATOM 1072 C CB . CSE A 1 140 ? 84.806 37.647 27.807 1.00 28.63 ? ? ? ? ? ? 140 CSE A CB 1 +ATOM 1073 SE SE . CSE A 1 140 ? 83.815 37.108 29.258 1.00 30.97 ? ? ? ? ? ? 140 CSE A SE 1 +ATOM 1074 C C . CSE A 1 140 ? 85.865 39.758 28.724 1.00 27.29 ? ? ? ? ? ? 140 CSE A C 1 +ATOM 1075 O O . CSE A 1 140 ? 85.777 40.961 29.041 1.00 25.08 ? ? ? ? ? ? 140 CSE A O 1 +ATOM 1076 N N . HIS A 1 141 ? 86.687 38.916 29.337 1.00 25.49 ? ? ? ? ? ? 141 HIS A N 1 +ATOM 1077 C CA . HIS A 1 141 ? 87.510 39.346 30.433 1.00 23.81 ? ? ? ? ? ? 141 HIS A CA 1 +ATOM 1078 C C . HIS A 1 141 ? 88.980 39.524 30.088 1.00 23.46 ? ? ? ? ? ? 141 HIS A C 1 +ATOM 1079 O O . HIS A 1 141 ? 89.854 39.314 30.942 1.00 24.21 ? ? ? ? ? ? 141 HIS A O 1 +ATOM 1080 C CB . HIS A 1 141 ? 87.337 38.385 31.599 1.00 23.63 ? ? ? ? ? ? 141 HIS A CB 1 +ATOM 1081 C CG . HIS A 1 141 ? 86.109 38.648 32.399 1.00 23.74 ? ? ? ? ? ? 141 HIS A CG 1 +ATOM 1082 N ND1 . HIS A 1 141 ? 86.159 39.040 33.723 1.00 23.16 ? ? ? ? ? ? 141 HIS A ND1 1 +ATOM 1083 C CD2 . HIS A 1 141 ? 84.800 38.615 32.064 1.00 25.72 ? ? ? ? ? ? 141 HIS A CD2 1 +ATOM 1084 C CE1 . HIS A 1 141 ? 84.932 39.234 34.166 1.00 25.42 ? ? ? ? ? ? 141 HIS A CE1 1 +ATOM 1085 N NE2 . HIS A 1 141 ? 84.086 38.985 33.180 1.00 27.60 ? ? ? ? ? ? 141 HIS A NE2 1 +ATOM 1086 N N . GLY A 1 142 ? 89.262 39.874 28.838 1.00 21.74 ? ? ? ? ? ? 142 GLY A N 1 +ATOM 1087 C CA . GLY A 1 142 ? 90.632 40.118 28.438 1.00 21.47 ? ? ? ? ? ? 142 GLY A CA 1 +ATOM 1088 C C . GLY A 1 142 ? 91.168 41.226 29.338 1.00 21.39 ? ? ? ? ? ? 142 GLY A C 1 +ATOM 1089 O O . GLY A 1 142 ? 92.278 41.122 29.894 1.00 20.56 ? ? ? ? ? ? 142 GLY A O 1 +ATOM 1090 N N . PRO A 1 143 ? 90.382 42.309 29.517 1.00 20.27 ? ? ? ? ? ? 143 PRO A N 1 +ATOM 1091 C CA . PRO A 1 143 ? 90.823 43.408 30.375 1.00 19.86 ? ? ? ? ? ? 143 PRO A CA 1 +ATOM 1092 C C . PRO A 1 143 ? 91.130 42.914 31.783 1.00 20.45 ? ? ? ? ? ? 143 PRO A C 1 +ATOM 1093 O O . PRO A 1 143 ? 92.142 43.308 32.358 1.00 19.15 ? ? ? ? ? ? 143 PRO A O 1 +ATOM 1094 C CB . PRO A 1 143 ? 89.611 44.345 30.365 1.00 19.57 ? ? ? ? ? ? 143 PRO A CB 1 +ATOM 1095 C CG . PRO A 1 143 ? 89.076 44.162 28.989 1.00 19.49 ? ? ? ? ? ? 143 PRO A CG 1 +ATOM 1096 C CD . PRO A 1 143 ? 89.137 42.664 28.812 1.00 18.89 ? ? ? ? ? ? 143 PRO A CD 1 +ATOM 1097 N N . SER A 1 144 ? 90.266 42.030 32.311 1.00 21.50 ? ? ? ? ? ? 144 SER A N 1 +ATOM 1098 C CA . SER A 1 144 ? 90.420 41.472 33.664 1.00 21.74 ? ? ? ? ? ? 144 SER A CA 1 +ATOM 1099 C C . SER A 1 144 ? 91.782 40.837 33.855 1.00 22.19 ? ? ? ? ? ? 144 SER A C 1 +ATOM 1100 O O . SER A 1 144 ? 92.451 41.106 34.855 1.00 22.68 ? ? ? ? ? ? 144 SER A O 1 +ATOM 1101 C CB . SER A 1 144 ? 89.350 40.423 33.995 1.00 20.33 ? ? ? ? ? ? 144 SER A CB 1 +ATOM 1102 O OG . SER A 1 144 ? 88.084 41.016 34.245 1.00 20.27 ? ? ? ? ? ? 144 SER A OG 1 +ATOM 1103 N N . VAL A 1 145 ? 92.199 40.020 32.887 1.00 21.78 ? ? ? ? ? ? 145 VAL A N 1 +ATOM 1104 C CA . VAL A 1 145 ? 93.491 39.347 32.978 1.00 20.98 ? ? ? ? ? ? 145 VAL A CA 1 +ATOM 1105 C C . VAL A 1 145 ? 94.633 40.346 33.000 1.00 20.95 ? ? ? ? ? ? 145 VAL A C 1 +ATOM 1106 O O . VAL A 1 145 ? 95.569 40.172 33.767 1.00 20.21 ? ? ? ? ? ? 145 VAL A O 1 +ATOM 1107 C CB . VAL A 1 145 ? 93.760 38.380 31.808 1.00 20.97 ? ? ? ? ? ? 145 VAL A CB 1 +ATOM 1108 C CG1 . VAL A 1 145 ? 95.106 37.719 32.018 1.00 20.95 ? ? ? ? ? ? 145 VAL A CG1 1 +ATOM 1109 C CG2 . VAL A 1 145 ? 92.659 37.338 31.680 1.00 20.19 ? ? ? ? ? ? 145 VAL A CG2 1 +ATOM 1110 N N . ALA A 1 146 ? 94.577 41.364 32.140 1.00 19.94 ? ? ? ? ? ? 146 ALA A N 1 +ATOM 1111 C CA . ALA A 1 146 ? 95.645 42.350 32.095 1.00 19.16 ? ? ? ? ? ? 146 ALA A CA 1 +ATOM 1112 C C . ALA A 1 146 ? 95.729 43.096 33.408 1.00 19.40 ? ? ? ? ? ? 146 ALA A C 1 +ATOM 1113 O O . ALA A 1 146 ? 96.694 42.921 34.156 1.00 20.34 ? ? ? ? ? ? 146 ALA A O 1 +ATOM 1114 C CB . ALA A 1 146 ? 95.453 43.308 30.957 1.00 19.00 ? ? ? ? ? ? 146 ALA A CB 1 +ATOM 1115 N N . GLY A 1 147 ? 94.709 43.893 33.702 1.00 19.22 ? ? ? ? ? ? 147 GLY A N 1 +ATOM 1116 C CA . GLY A 1 147 ? 94.676 44.657 34.937 1.00 19.79 ? ? ? ? ? ? 147 GLY A CA 1 +ATOM 1117 C C . GLY A 1 147 ? 95.122 43.841 36.121 1.00 21.04 ? ? ? ? ? ? 147 GLY A C 1 +ATOM 1118 O O . GLY A 1 147 ? 96.034 44.238 36.848 1.00 21.53 ? ? ? ? ? ? 147 GLY A O 1 +ATOM 1119 N N . LEU A 1 148 ? 94.525 42.663 36.272 1.00 22.41 ? ? ? ? ? ? 148 LEU A N 1 +ATOM 1120 C CA . LEU A 1 148 ? 94.863 41.754 37.362 1.00 22.87 ? ? ? ? ? ? 148 LEU A CA 1 +ATOM 1121 C C . LEU A 1 148 ? 96.258 41.202 37.231 1.00 22.47 ? ? ? ? ? ? 148 LEU A C 1 +ATOM 1122 O O . LEU A 1 148 ? 96.921 40.993 38.233 1.00 25.34 ? ? ? ? ? ? 148 LEU A O 1 +ATOM 1123 C CB . LEU A 1 148 ? 93.898 40.570 37.422 1.00 22.80 ? ? ? ? ? ? 148 LEU A CB 1 +ATOM 1124 C CG . LEU A 1 148 ? 92.675 40.723 38.304 1.00 22.83 ? ? ? ? ? ? 148 LEU A CG 1 +ATOM 1125 C CD1 . LEU A 1 148 ? 91.812 39.493 38.210 1.00 21.23 ? ? ? ? ? ? 148 LEU A CD1 1 +ATOM 1126 C CD2 . LEU A 1 148 ? 93.162 40.942 39.717 1.00 23.35 ? ? ? ? ? ? 148 LEU A CD2 1 +ATOM 1127 N N . HIS A 1 149 ? 96.710 40.936 36.016 1.00 21.79 ? ? ? ? ? ? 149 HIS A N 1 +ATOM 1128 C CA . HIS A 1 149 ? 98.041 40.384 35.867 1.00 22.67 ? ? ? ? ? ? 149 HIS A CA 1 +ATOM 1129 C C . HIS A 1 149 ? 99.082 41.303 36.451 1.00 23.19 ? ? ? ? ? ? 149 HIS A C 1 +ATOM 1130 O O . HIS A 1 149 ? 100.025 40.841 37.091 1.00 24.15 ? ? ? ? ? ? 149 HIS A O 1 +ATOM 1131 C CB . HIS A 1 149 ? 98.408 40.099 34.425 1.00 23.64 ? ? ? ? ? ? 149 HIS A CB 1 +ATOM 1132 C CG . HIS A 1 149 ? 99.817 39.640 34.277 1.00 25.97 ? ? ? ? ? ? 149 HIS A CG 1 +ATOM 1133 N ND1 . HIS A 1 149 ? 100.268 38.468 34.846 1.00 26.59 ? ? ? ? ? ? 149 HIS A ND1 1 +ATOM 1134 C CD2 . HIS A 1 149 ? 100.911 40.262 33.774 1.00 27.03 ? ? ? ? ? ? 149 HIS A CD2 1 +ATOM 1135 C CE1 . HIS A 1 149 ? 101.582 38.395 34.713 1.00 27.49 ? ? ? ? ? ? 149 HIS A CE1 1 +ATOM 1136 N NE2 . HIS A 1 149 ? 101.996 39.472 34.065 1.00 27.42 ? ? ? ? ? ? 149 HIS A NE2 1 +ATOM 1137 N N . GLN A 1 150 ? 98.927 42.593 36.176 1.00 23.04 ? ? ? ? ? ? 150 GLN A N 1 +ATOM 1138 C CA . GLN A 1 150 ? 99.829 43.622 36.667 1.00 22.87 ? ? ? ? ? ? 150 GLN A CA 1 +ATOM 1139 C C . GLN A 1 150 ? 99.662 43.868 38.151 1.00 23.60 ? ? ? ? ? ? 150 GLN A C 1 +ATOM 1140 O O . GLN A 1 150 ? 100.648 43.862 38.882 1.00 26.58 ? ? ? ? ? ? 150 GLN A O 1 +ATOM 1141 C CB . GLN A 1 150 ? 99.574 44.941 35.943 1.00 23.34 ? ? ? ? ? ? 150 GLN A CB 1 +ATOM 1142 C CG . GLN A 1 150 ? 100.499 45.209 34.775 1.00 24.52 ? ? ? ? ? ? 150 GLN A CG 1 +ATOM 1143 C CD . GLN A 1 150 ? 101.910 45.534 35.211 1.00 24.55 ? ? ? ? ? ? 150 GLN A CD 1 +ATOM 1144 O OE1 . GLN A 1 150 ? 102.126 46.334 36.137 1.00 22.93 ? ? ? ? ? ? 150 GLN A OE1 1 +ATOM 1145 N NE2 . GLN A 1 150 ? 102.888 44.930 34.534 1.00 23.67 ? ? ? ? ? ? 150 GLN A NE2 1 +ATOM 1146 N N . SER A 1 151 ? 98.416 44.034 38.599 1.00 23.28 ? ? ? ? ? ? 151 SER A N 1 +ATOM 1147 C CA . SER A 1 151 ? 98.121 44.345 40.000 1.00 22.06 ? ? ? ? ? ? 151 SER A CA 1 +ATOM 1148 C C . SER A 1 151 ? 98.512 43.287 40.992 1.00 22.19 ? ? ? ? ? ? 151 SER A C 1 +ATOM 1149 O O . SER A 1 151 ? 99.144 43.551 42.015 1.00 22.82 ? ? ? ? ? ? 151 SER A O 1 +ATOM 1150 C CB . SER A 1 151 ? 96.618 44.539 40.229 1.00 21.51 ? ? ? ? ? ? 151 SER A CB 1 +ATOM 1151 O OG . SER A 1 151 ? 95.995 45.373 39.293 1.00 20.06 ? ? ? ? ? ? 151 SER A OG 1 +ATOM 1152 N N . VAL A 1 152 ? 98.116 42.072 40.677 1.00 21.46 ? ? ? ? ? ? 152 VAL A N 1 +ATOM 1153 C CA . VAL A 1 152 ? 98.281 40.998 41.602 1.00 20.38 ? ? ? ? ? ? 152 VAL A CA 1 +ATOM 1154 C C . VAL A 1 152 ? 98.991 39.770 41.051 1.00 20.04 ? ? ? ? ? ? 152 VAL A C 1 +ATOM 1155 O O . VAL A 1 152 ? 99.155 38.790 41.762 1.00 19.76 ? ? ? ? ? ? 152 VAL A O 1 +ATOM 1156 C CB . VAL A 1 152 ? 96.864 40.689 42.162 1.00 20.80 ? ? ? ? ? ? 152 VAL A CB 1 +ATOM 1157 C CG1 . VAL A 1 152 ? 96.079 39.767 41.236 1.00 19.97 ? ? ? ? ? ? 152 VAL A CG1 1 +ATOM 1158 C CG2 . VAL A 1 152 ? 96.935 40.199 43.555 1.00 22.94 ? ? ? ? ? ? 152 VAL A CG2 1 +ATOM 1159 N N . GLY A 1 153 ? 99.385 39.804 39.783 1.00 19.03 ? ? ? ? ? ? 153 GLY A N 1 +ATOM 1160 C CA . GLY A 1 153 ? 100.106 38.674 39.231 1.00 20.02 ? ? ? ? ? ? 153 GLY A CA 1 +ATOM 1161 C C . GLY A 1 153 ? 99.333 37.513 38.631 1.00 20.65 ? ? ? ? ? ? 153 GLY A C 1 +ATOM 1162 O O . GLY A 1 153 ? 99.931 36.593 38.076 1.00 19.73 ? ? ? ? ? ? 153 GLY A O 1 +ATOM 1163 N N . ASN A 1 154 ? 98.012 37.514 38.746 1.00 22.28 ? ? ? ? ? ? 154 ASN A N 1 +ATOM 1164 C CA . ASN A 1 154 ? 97.238 36.426 38.162 1.00 22.86 ? ? ? ? ? ? 154 ASN A CA 1 +ATOM 1165 C C . ASN A 1 154 ? 95.848 36.905 37.793 1.00 23.34 ? ? ? ? ? ? 154 ASN A C 1 +ATOM 1166 O O . ASN A 1 154 ? 95.183 37.585 38.577 1.00 24.88 ? ? ? ? ? ? 154 ASN A O 1 +ATOM 1167 C CB . ASN A 1 154 ? 97.161 35.239 39.104 1.00 23.90 ? ? ? ? ? ? 154 ASN A CB 1 +ATOM 1168 C CG . ASN A 1 154 ? 96.780 33.984 38.383 1.00 25.83 ? ? ? ? ? ? 154 ASN A CG 1 +ATOM 1169 O OD1 . ASN A 1 154 ? 95.951 34.026 37.479 1.00 29.67 ? ? ? ? ? ? 154 ASN A OD1 1 +ATOM 1170 N ND2 . ASN A 1 154 ? 97.408 32.864 38.729 1.00 26.12 ? ? ? ? ? ? 154 ASN A ND2 1 +ATOM 1171 N N . GLY A 1 155 ? 95.403 36.547 36.599 1.00 23.46 ? ? ? ? ? ? 155 GLY A N 1 +ATOM 1172 C CA . GLY A 1 155 ? 94.100 37.000 36.142 1.00 24.49 ? ? ? ? ? ? 155 GLY A CA 1 +ATOM 1173 C C . GLY A 1 155 ? 92.848 36.206 36.493 1.00 24.54 ? ? ? ? ? ? 155 GLY A C 1 +ATOM 1174 O O . GLY A 1 155 ? 91.752 36.630 36.123 1.00 26.97 ? ? ? ? ? ? 155 GLY A O 1 +ATOM 1175 N N . ALA A 1 156 ? 92.986 35.059 37.156 1.00 22.80 ? ? ? ? ? ? 156 ALA A N 1 +ATOM 1176 C CA . ALA A 1 156 ? 91.830 34.234 37.528 1.00 20.07 ? ? ? ? ? ? 156 ALA A CA 1 +ATOM 1177 C C . ALA A 1 156 ? 91.138 34.758 38.766 1.00 19.13 ? ? ? ? ? ? 156 ALA A C 1 +ATOM 1178 O O . ALA A 1 156 ? 91.638 35.690 39.411 1.00 20.17 ? ? ? ? ? ? 156 ALA A O 1 +ATOM 1179 C CB . ALA A 1 156 ? 92.273 32.832 37.787 1.00 20.97 ? ? ? ? ? ? 156 ALA A CB 1 +ATOM 1180 N N . MET A 1 157 ? 89.986 34.177 39.093 1.00 16.42 ? ? ? ? ? ? 157 MET A N 1 +ATOM 1181 C CA . MET A 1 157 ? 89.261 34.552 40.306 1.00 14.55 ? ? ? ? ? ? 157 MET A CA 1 +ATOM 1182 C C . MET A 1 157 ? 90.279 34.283 41.401 1.00 13.29 ? ? ? ? ? ? 157 MET A C 1 +ATOM 1183 O O . MET A 1 157 ? 90.885 33.214 41.422 1.00 14.02 ? ? ? ? ? ? 157 MET A O 1 +ATOM 1184 C CB . MET A 1 157 ? 88.037 33.637 40.544 1.00 15.67 ? ? ? ? ? ? 157 MET A CB 1 +ATOM 1185 C CG . MET A 1 157 ? 86.776 33.959 39.718 1.00 16.37 ? ? ? ? ? ? 157 MET A CG 1 +ATOM 1186 S SD . MET A 1 157 ? 85.300 33.026 40.172 1.00 15.12 ? ? ? ? ? ? 157 MET A SD 1 +ATOM 1187 C CE . MET A 1 157 ? 84.960 33.671 41.769 1.00 10.86 ? ? ? ? ? ? 157 MET A CE 1 +ATOM 1188 N N . SER A 1 158 ? 90.499 35.233 42.294 1.00 11.57 ? ? ? ? ? ? 158 SER A N 1 +ATOM 1189 C CA . SER A 1 158 ? 91.483 35.009 43.330 1.00 11.40 ? ? ? ? ? ? 158 SER A CA 1 +ATOM 1190 C C . SER A 1 158 ? 91.032 33.916 44.248 1.00 12.35 ? ? ? ? ? ? 158 SER A C 1 +ATOM 1191 O O . SER A 1 158 ? 91.826 33.087 44.683 1.00 13.08 ? ? ? ? ? ? 158 SER A O 1 +ATOM 1192 C CB . SER A 1 158 ? 91.731 36.277 44.130 1.00 11.66 ? ? ? ? ? ? 158 SER A CB 1 +ATOM 1193 O OG . SER A 1 158 ? 90.548 36.730 44.733 1.00 12.47 ? ? ? ? ? ? 158 SER A OG 1 +ATOM 1194 N N . ASN A 1 159 ? 89.737 33.910 44.526 1.00 13.43 ? ? ? ? ? ? 159 ASN A N 1 +ATOM 1195 C CA . ASN A 1 159 ? 89.141 32.938 45.421 1.00 13.39 ? ? ? ? ? ? 159 ASN A CA 1 +ATOM 1196 C C . ASN A 1 159 ? 88.108 32.078 44.681 1.00 14.17 ? ? ? ? ? ? 159 ASN A C 1 +ATOM 1197 O O . ASN A 1 159 ? 87.736 32.359 43.538 1.00 14.01 ? ? ? ? ? ? 159 ASN A O 1 +ATOM 1198 C CB . ASN A 1 159 ? 88.535 33.671 46.623 1.00 14.14 ? ? ? ? ? ? 159 ASN A CB 1 +ATOM 1199 C CG . ASN A 1 159 ? 89.584 34.449 47.447 1.00 16.01 ? ? ? ? ? ? 159 ASN A CG 1 +ATOM 1200 O OD1 . ASN A 1 159 ? 90.433 35.168 46.908 1.00 16.94 ? ? ? ? ? ? 159 ASN A OD1 1 +ATOM 1201 N ND2 . ASN A 1 159 ? 89.516 34.306 48.765 1.00 17.12 ? ? ? ? ? ? 159 ASN A ND2 1 +ATOM 1202 N N . ALA A 1 160 ? 87.626 31.036 45.342 1.00 15.61 ? ? ? ? ? ? 160 ALA A N 1 +ATOM 1203 C CA . ALA A 1 160 ? 86.689 30.110 44.725 1.00 16.24 ? ? ? ? ? ? 160 ALA A CA 1 +ATOM 1204 C C . ALA A 1 160 ? 85.206 30.457 44.787 1.00 16.82 ? ? ? ? ? ? 160 ALA A C 1 +ATOM 1205 O O . ALA A 1 160 ? 84.766 31.188 45.681 1.00 16.61 ? ? ? ? ? ? 160 ALA A O 1 +ATOM 1206 C CB . ALA A 1 160 ? 86.919 28.732 45.307 1.00 17.13 ? ? ? ? ? ? 160 ALA A CB 1 +ATOM 1207 N N . ILE A 1 161 ? 84.445 29.879 43.848 1.00 16.79 ? ? ? ? ? ? 161 ILE A N 1 +ATOM 1208 C CA . ILE A 1 161 ? 82.980 30.024 43.749 1.00 16.09 ? ? ? ? ? ? 161 ILE A CA 1 +ATOM 1209 C C . ILE A 1 161 ? 82.396 29.519 45.063 1.00 17.02 ? ? ? ? ? ? 161 ILE A C 1 +ATOM 1210 O O . ILE A 1 161 ? 81.464 30.092 45.605 1.00 19.52 ? ? ? ? ? ? 161 ILE A O 1 +ATOM 1211 C CB . ILE A 1 161 ? 82.387 29.105 42.614 1.00 15.67 ? ? ? ? ? ? 161 ILE A CB 1 +ATOM 1212 C CG1 . ILE A 1 161 ? 82.706 29.659 41.224 1.00 14.07 ? ? ? ? ? ? 161 ILE A CG1 1 +ATOM 1213 C CG2 . ILE A 1 161 ? 80.889 28.885 42.788 1.00 13.74 ? ? ? ? ? ? 161 ILE A CG2 1 +ATOM 1214 C CD1 . ILE A 1 161 ? 82.076 28.855 40.126 1.00 9.22 ? ? ? ? ? ? 161 ILE A CD1 1 +ATOM 1215 N N . ASN A 1 162 ? 82.940 28.423 45.567 1.00 18.05 ? ? ? ? ? ? 162 ASN A N 1 +ATOM 1216 C CA . ASN A 1 162 ? 82.459 27.854 46.809 1.00 18.49 ? ? ? ? ? ? 162 ASN A CA 1 +ATOM 1217 C C . ASN A 1 162 ? 82.949 28.570 48.056 1.00 19.18 ? ? ? ? ? ? 162 ASN A C 1 +ATOM 1218 O O . ASN A 1 162 ? 82.641 28.160 49.164 1.00 21.20 ? ? ? ? ? ? 162 ASN A O 1 +ATOM 1219 C CB . ASN A 1 162 ? 82.790 26.372 46.881 1.00 18.29 ? ? ? ? ? ? 162 ASN A CB 1 +ATOM 1220 C CG . ASN A 1 162 ? 81.910 25.534 45.961 1.00 21.29 ? ? ? ? ? ? 162 ASN A CG 1 +ATOM 1221 O OD1 . ASN A 1 162 ? 82.010 25.602 44.729 1.00 21.76 ? ? ? ? ? ? 162 ASN A OD1 1 +ATOM 1222 N ND2 . ASN A 1 162 ? 81.060 24.715 46.559 1.00 23.79 ? ? ? ? ? ? 162 ASN A ND2 1 +ATOM 1223 N N . GLU A 1 163 ? 83.680 29.665 47.894 1.00 19.52 ? ? ? ? ? ? 163 GLU A N 1 +ATOM 1224 C CA . GLU A 1 163 ? 84.178 30.420 49.054 1.00 18.08 ? ? ? ? ? ? 163 GLU A CA 1 +ATOM 1225 C C . GLU A 1 163 ? 83.249 31.592 49.384 1.00 17.15 ? ? ? ? ? ? 163 GLU A C 1 +ATOM 1226 O O . GLU A 1 163 ? 83.270 32.129 50.504 1.00 15.99 ? ? ? ? ? ? 163 GLU A O 1 +ATOM 1227 C CB . GLU A 1 163 ? 85.565 30.971 48.762 1.00 17.26 ? ? ? ? ? ? 163 GLU A CB 1 +ATOM 1228 C CG . GLU A 1 163 ? 86.696 30.253 49.405 1.00 16.69 ? ? ? ? ? ? 163 GLU A CG 1 +ATOM 1229 C CD . GLU A 1 163 ? 88.018 30.740 48.865 1.00 17.62 ? ? ? ? ? ? 163 GLU A CD 1 +ATOM 1230 O OE1 . GLU A 1 163 ? 88.528 31.769 49.362 1.00 15.80 ? ? ? ? ? ? 163 GLU A OE1 1 +ATOM 1231 O OE2 . GLU A 1 163 ? 88.528 30.112 47.914 1.00 18.87 ? ? ? ? ? ? 163 GLU A OE2 1 +ATOM 1232 N N . ILE A 1 164 ? 82.430 31.966 48.403 1.00 15.63 ? ? ? ? ? ? 164 ILE A N 1 +ATOM 1233 C CA . ILE A 1 164 ? 81.519 33.088 48.545 1.00 15.81 ? ? ? ? ? ? 164 ILE A CA 1 +ATOM 1234 C C . ILE A 1 164 ? 80.591 32.974 49.750 1.00 16.42 ? ? ? ? ? ? 164 ILE A C 1 +ATOM 1235 O O . ILE A 1 164 ? 80.408 33.933 50.511 1.00 16.21 ? ? ? ? ? ? 164 ILE A O 1 +ATOM 1236 C CB . ILE A 1 164 ? 80.693 33.285 47.262 1.00 14.18 ? ? ? ? ? ? 164 ILE A CB 1 +ATOM 1237 C CG1 . ILE A 1 164 ? 81.632 33.368 46.061 1.00 13.47 ? ? ? ? ? ? 164 ILE A CG1 1 +ATOM 1238 C CG2 . ILE A 1 164 ? 79.890 34.578 47.355 1.00 14.98 ? ? ? ? ? ? 164 ILE A CG2 1 +ATOM 1239 C CD1 . ILE A 1 164 ? 80.950 33.728 44.757 1.00 14.66 ? ? ? ? ? ? 164 ILE A CD1 1 +ATOM 1240 N N . ASP A 1 165 ? 80.124 31.756 49.979 1.00 17.31 ? ? ? ? ? ? 165 ASP A N 1 +ATOM 1241 C CA . ASP A 1 165 ? 79.190 31.447 51.041 1.00 18.91 ? ? ? ? ? ? 165 ASP A CA 1 +ATOM 1242 C C . ASP A 1 165 ? 79.659 31.816 52.447 1.00 20.15 ? ? ? ? ? ? 165 ASP A C 1 +ATOM 1243 O O . ASP A 1 165 ? 78.933 31.593 53.417 1.00 20.79 ? ? ? ? ? ? 165 ASP A O 1 +ATOM 1244 C CB . ASP A 1 165 ? 78.819 29.961 51.006 1.00 20.55 ? ? ? ? ? ? 165 ASP A CB 1 +ATOM 1245 C CG . ASP A 1 165 ? 78.373 29.482 49.627 1.00 21.90 ? ? ? ? ? ? 165 ASP A CG 1 +ATOM 1246 O OD1 . ASP A 1 165 ? 79.005 29.855 48.614 1.00 22.55 ? ? ? ? ? ? 165 ASP A OD1 1 +ATOM 1247 O OD2 . ASP A 1 165 ? 77.426 28.670 49.563 1.00 22.49 ? ? ? ? ? ? 165 ASP A OD2 1 +ATOM 1248 N N . ASN A 1 166 ? 80.868 32.346 52.579 1.00 20.41 ? ? ? ? ? ? 166 ASN A N 1 +ATOM 1249 C CA . ASN A 1 166 ? 81.356 32.715 53.899 1.00 19.98 ? ? ? ? ? ? 166 ASN A CA 1 +ATOM 1250 C C . ASN A 1 166 ? 82.052 34.076 54.016 1.00 20.67 ? ? ? ? ? ? 166 ASN A C 1 +ATOM 1251 O O . ASN A 1 166 ? 82.791 34.330 54.976 1.00 20.76 ? ? ? ? ? ? 166 ASN A O 1 +ATOM 1252 C CB . ASN A 1 166 ? 82.209 31.604 54.458 1.00 20.78 ? ? ? ? ? ? 166 ASN A CB 1 +ATOM 1253 C CG . ASN A 1 166 ? 81.389 30.396 54.824 1.00 24.99 ? ? ? ? ? ? 166 ASN A CG 1 +ATOM 1254 O OD1 . ASN A 1 166 ? 80.870 30.307 55.937 1.00 28.45 ? ? ? ? ? ? 166 ASN A OD1 1 +ATOM 1255 N ND2 . ASN A 1 166 ? 81.223 29.471 53.878 1.00 25.03 ? ? ? ? ? ? 166 ASN A ND2 1 +ATOM 1256 N N . THR A 1 167 ? 81.841 34.939 53.023 1.00 19.70 ? ? ? ? ? ? 167 THR A N 1 +ATOM 1257 C CA . THR A 1 167 ? 82.395 36.279 53.066 1.00 18.75 ? ? ? ? ? ? 167 THR A CA 1 +ATOM 1258 C C . THR A 1 167 ? 81.508 37.051 54.021 1.00 18.28 ? ? ? ? ? ? 167 THR A C 1 +ATOM 1259 O O . THR A 1 167 ? 80.423 36.601 54.385 1.00 18.36 ? ? ? ? ? ? 167 THR A O 1 +ATOM 1260 C CB . THR A 1 167 ? 82.269 36.990 51.737 1.00 19.01 ? ? ? ? ? ? 167 THR A CB 1 +ATOM 1261 O OG1 . THR A 1 167 ? 80.959 36.773 51.199 1.00 20.27 ? ? ? ? ? ? 167 THR A OG1 1 +ATOM 1262 C CG2 . THR A 1 167 ? 83.294 36.503 50.783 1.00 20.41 ? ? ? ? ? ? 167 THR A CG2 1 +ATOM 1263 N N . ASP A 1 168 ? 81.968 38.212 54.442 1.00 17.94 ? ? ? ? ? ? 168 ASP A N 1 +ATOM 1264 C CA . ASP A 1 168 ? 81.164 39.019 55.321 1.00 16.86 ? ? ? ? ? ? 168 ASP A CA 1 +ATOM 1265 C C . ASP A 1 168 ? 80.475 40.099 54.499 1.00 15.75 ? ? ? ? ? ? 168 ASP A C 1 +ATOM 1266 O O . ASP A 1 168 ? 79.573 40.791 54.971 1.00 17.13 ? ? ? ? ? ? 168 ASP A O 1 +ATOM 1267 C CB . ASP A 1 168 ? 82.039 39.586 56.406 1.00 18.22 ? ? ? ? ? ? 168 ASP A CB 1 +ATOM 1268 C CG . ASP A 1 168 ? 82.594 38.505 57.295 1.00 21.42 ? ? ? ? ? ? 168 ASP A CG 1 +ATOM 1269 O OD1 . ASP A 1 168 ? 81.790 37.933 58.065 1.00 22.88 ? ? ? ? ? ? 168 ASP A OD1 1 +ATOM 1270 O OD2 . ASP A 1 168 ? 83.812 38.207 57.208 1.00 22.60 ? ? ? ? ? ? 168 ASP A OD2 1 +ATOM 1271 N N . LEU A 1 169 ? 80.859 40.193 53.241 1.00 12.97 ? ? ? ? ? ? 169 LEU A N 1 +ATOM 1272 C CA . LEU A 1 169 ? 80.273 41.173 52.368 1.00 13.41 ? ? ? ? ? ? 169 LEU A CA 1 +ATOM 1273 C C . LEU A 1 169 ? 80.600 40.780 50.921 1.00 14.12 ? ? ? ? ? ? 169 LEU A C 1 +ATOM 1274 O O . LEU A 1 169 ? 81.742 40.441 50.578 1.00 13.60 ? ? ? ? ? ? 169 LEU A O 1 +ATOM 1275 C CB . LEU A 1 169 ? 80.790 42.577 52.734 1.00 12.10 ? ? ? ? ? ? 169 LEU A CB 1 +ATOM 1276 C CG . LEU A 1 169 ? 80.156 43.848 52.160 1.00 10.55 ? ? ? ? ? ? 169 LEU A CG 1 +ATOM 1277 C CD1 . LEU A 1 169 ? 80.418 45.009 53.080 1.00 10.55 ? ? ? ? ? ? 169 LEU A CD1 1 +ATOM 1278 C CD2 . LEU A 1 169 ? 80.719 44.158 50.793 1.00 10.51 ? ? ? ? ? ? 169 LEU A CD2 1 +ATOM 1279 N N . VAL A 1 170 ? 79.564 40.781 50.096 1.00 13.61 ? ? ? ? ? ? 170 VAL A N 1 +ATOM 1280 C CA . VAL A 1 170 ? 79.695 40.425 48.710 1.00 13.50 ? ? ? ? ? ? 170 VAL A CA 1 +ATOM 1281 C C . VAL A 1 170 ? 79.552 41.676 47.891 1.00 12.68 ? ? ? ? ? ? 170 VAL A C 1 +ATOM 1282 O O . VAL A 1 170 ? 78.449 42.104 47.607 1.00 14.03 ? ? ? ? ? ? 170 VAL A O 1 +ATOM 1283 C CB . VAL A 1 170 ? 78.588 39.432 48.309 1.00 14.60 ? ? ? ? ? ? 170 VAL A CB 1 +ATOM 1284 C CG1 . VAL A 1 170 ? 78.842 38.895 46.891 1.00 13.81 ? ? ? ? ? ? 170 VAL A CG1 1 +ATOM 1285 C CG2 . VAL A 1 170 ? 78.495 38.312 49.347 1.00 13.18 ? ? ? ? ? ? 170 VAL A CG2 1 +ATOM 1286 N N . PHE A 1 171 ? 80.670 42.279 47.535 1.00 14.00 ? ? ? ? ? ? 171 PHE A N 1 +ATOM 1287 C CA . PHE A 1 171 ? 80.662 43.496 46.731 1.00 14.84 ? ? ? ? ? ? 171 PHE A CA 1 +ATOM 1288 C C . PHE A 1 171 ? 80.434 43.151 45.238 1.00 14.80 ? ? ? ? ? ? 171 PHE A C 1 +ATOM 1289 O O . PHE A 1 171 ? 81.393 42.790 44.526 1.00 14.03 ? ? ? ? ? ? 171 PHE A O 1 +ATOM 1290 C CB . PHE A 1 171 ? 82.003 44.210 46.921 1.00 16.51 ? ? ? ? ? ? 171 PHE A CB 1 +ATOM 1291 C CG . PHE A 1 171 ? 82.018 45.632 46.433 1.00 17.89 ? ? ? ? ? ? 171 PHE A CG 1 +ATOM 1292 C CD1 . PHE A 1 171 ? 81.055 46.528 46.843 1.00 17.77 ? ? ? ? ? ? 171 PHE A CD1 1 +ATOM 1293 C CD2 . PHE A 1 171 ? 83.023 46.077 45.597 1.00 19.79 ? ? ? ? ? ? 171 PHE A CD2 1 +ATOM 1294 C CE1 . PHE A 1 171 ? 81.093 47.837 46.435 1.00 20.06 ? ? ? ? ? ? 171 PHE A CE1 1 +ATOM 1295 C CE2 . PHE A 1 171 ? 83.072 47.402 45.176 1.00 21.88 ? ? ? ? ? ? 171 PHE A CE2 1 +ATOM 1296 C CZ . PHE A 1 171 ? 82.108 48.281 45.594 1.00 21.52 ? ? ? ? ? ? 171 PHE A CZ 1 +ATOM 1297 N N . VAL A 1 172 ? 79.176 43.193 44.785 1.00 13.06 ? ? ? ? ? ? 172 VAL A N 1 +ATOM 1298 C CA . VAL A 1 172 ? 78.860 42.887 43.385 1.00 12.64 ? ? ? ? ? ? 172 VAL A CA 1 +ATOM 1299 C C . VAL A 1 172 ? 79.012 44.189 42.605 1.00 13.27 ? ? ? ? ? ? 172 VAL A C 1 +ATOM 1300 O O . VAL A 1 172 ? 78.394 45.198 42.961 1.00 13.80 ? ? ? ? ? ? 172 VAL A O 1 +ATOM 1301 C CB . VAL A 1 172 ? 77.418 42.317 43.227 1.00 12.01 ? ? ? ? ? ? 172 VAL A CB 1 +ATOM 1302 C CG1 . VAL A 1 172 ? 77.162 41.853 41.792 1.00 10.18 ? ? ? ? ? ? 172 VAL A CG1 1 +ATOM 1303 C CG2 . VAL A 1 172 ? 77.204 41.174 44.199 1.00 9.82 ? ? ? ? ? ? 172 VAL A CG2 1 +ATOM 1304 N N . PHE A 1 173 ? 79.843 44.187 41.562 1.00 13.66 ? ? ? ? ? ? 173 PHE A N 1 +ATOM 1305 C CA . PHE A 1 173 ? 80.089 45.405 40.787 1.00 14.27 ? ? ? ? ? ? 173 PHE A CA 1 +ATOM 1306 C C . PHE A 1 173 ? 79.975 45.192 39.280 1.00 15.18 ? ? ? ? ? ? 173 PHE A C 1 +ATOM 1307 O O . PHE A 1 173 ? 80.768 44.442 38.692 1.00 15.81 ? ? ? ? ? ? 173 PHE A O 1 +ATOM 1308 C CB . PHE A 1 173 ? 81.487 45.938 41.123 1.00 14.97 ? ? ? ? ? ? 173 PHE A CB 1 +ATOM 1309 C CG . PHE A 1 173 ? 81.740 47.334 40.646 1.00 15.77 ? ? ? ? ? ? 173 PHE A CG 1 +ATOM 1310 C CD1 . PHE A 1 173 ? 81.990 47.591 39.312 1.00 16.36 ? ? ? ? ? ? 173 PHE A CD1 1 +ATOM 1311 C CD2 . PHE A 1 173 ? 81.718 48.399 41.538 1.00 16.65 ? ? ? ? ? ? 173 PHE A CD2 1 +ATOM 1312 C CE1 . PHE A 1 173 ? 82.212 48.892 38.865 1.00 17.58 ? ? ? ? ? ? 173 PHE A CE1 1 +ATOM 1313 C CE2 . PHE A 1 173 ? 81.941 49.706 41.099 1.00 17.51 ? ? ? ? ? ? 173 PHE A CE2 1 +ATOM 1314 C CZ . PHE A 1 173 ? 82.187 49.953 39.762 1.00 16.12 ? ? ? ? ? ? 173 PHE A CZ 1 +ATOM 1315 N N . GLY A 1 174 ? 79.010 45.873 38.655 1.00 14.96 ? ? ? ? ? ? 174 GLY A N 1 +ATOM 1316 C CA . GLY A 1 174 ? 78.805 45.757 37.217 1.00 13.87 ? ? ? ? ? ? 174 GLY A CA 1 +ATOM 1317 C C . GLY A 1 174 ? 78.828 44.302 36.853 1.00 14.16 ? ? ? ? ? ? 174 GLY A C 1 +ATOM 1318 O O . GLY A 1 174 ? 79.744 43.839 36.189 1.00 14.95 ? ? ? ? ? ? 174 GLY A O 1 +ATOM 1319 N N . TYR A 1 175 ? 77.824 43.575 37.321 1.00 15.36 ? ? ? ? ? ? 175 TYR A N 1 +ATOM 1320 C CA . TYR A 1 175 ? 77.742 42.139 37.114 1.00 16.28 ? ? ? ? ? ? 175 TYR A CA 1 +ATOM 1321 C C . TYR A 1 175 ? 76.407 41.669 37.668 1.00 17.06 ? ? ? ? ? ? 175 TYR A C 1 +ATOM 1322 O O . TYR A 1 175 ? 76.066 42.006 38.807 1.00 17.08 ? ? ? ? ? ? 175 TYR A O 1 +ATOM 1323 C CB . TYR A 1 175 ? 78.878 41.487 37.904 1.00 15.92 ? ? ? ? ? ? 175 TYR A CB 1 +ATOM 1324 C CG . TYR A 1 175 ? 78.834 39.987 38.014 1.00 14.34 ? ? ? ? ? ? 175 TYR A CG 1 +ATOM 1325 C CD1 . TYR A 1 175 ? 78.669 39.183 36.884 1.00 12.78 ? ? ? ? ? ? 175 TYR A CD1 1 +ATOM 1326 C CD2 . TYR A 1 175 ? 79.016 39.375 39.248 1.00 13.26 ? ? ? ? ? ? 175 TYR A CD2 1 +ATOM 1327 C CE1 . TYR A 1 175 ? 78.692 37.798 36.982 1.00 14.47 ? ? ? ? ? ? 175 TYR A CE1 1 +ATOM 1328 C CE2 . TYR A 1 175 ? 79.045 38.005 39.361 1.00 15.67 ? ? ? ? ? ? 175 TYR A CE2 1 +ATOM 1329 C CZ . TYR A 1 175 ? 78.883 37.208 38.230 1.00 15.40 ? ? ? ? ? ? 175 TYR A CZ 1 +ATOM 1330 O OH . TYR A 1 175 ? 78.924 35.828 38.371 1.00 14.48 ? ? ? ? ? ? 175 TYR A OH 1 +ATOM 1331 N N . ASN A 1 176 ? 75.692 40.847 36.892 1.00 17.23 ? ? ? ? ? ? 176 ASN A N 1 +ATOM 1332 C CA . ASN A 1 176 ? 74.386 40.334 37.294 1.00 17.19 ? ? ? ? ? ? 176 ASN A CA 1 +ATOM 1333 C C . ASN A 1 176 ? 74.441 38.815 37.483 1.00 17.93 ? ? ? ? ? ? 176 ASN A C 1 +ATOM 1334 O O . ASN A 1 176 ? 73.940 38.061 36.640 1.00 19.32 ? ? ? ? ? ? 176 ASN A O 1 +ATOM 1335 C CB . ASN A 1 176 ? 73.355 40.704 36.224 1.00 17.22 ? ? ? ? ? ? 176 ASN A CB 1 +ATOM 1336 C CG . ASN A 1 176 ? 71.920 40.553 36.711 1.00 19.54 ? ? ? ? ? ? 176 ASN A CG 1 +ATOM 1337 O OD1 . ASN A 1 176 ? 71.652 40.514 37.916 1.00 21.56 ? ? ? ? ? ? 176 ASN A OD1 1 +ATOM 1338 N ND2 . ASN A 1 176 ? 70.985 40.457 35.773 1.00 21.90 ? ? ? ? ? ? 176 ASN A ND2 1 +ATOM 1339 N N . PRO A 1 177 ? 74.933 38.341 38.650 1.00 18.02 ? ? ? ? ? ? 177 PRO A N 1 +ATOM 1340 C CA . PRO A 1 177 ? 75.015 36.882 38.863 1.00 17.44 ? ? ? ? ? ? 177 PRO A CA 1 +ATOM 1341 C C . PRO A 1 177 ? 73.668 36.170 38.733 1.00 17.97 ? ? ? ? ? ? 177 PRO A C 1 +ATOM 1342 O O . PRO A 1 177 ? 73.599 35.011 38.359 1.00 16.41 ? ? ? ? ? ? 177 PRO A O 1 +ATOM 1343 C CB . PRO A 1 177 ? 75.545 36.749 40.298 1.00 15.69 ? ? ? ? ? ? 177 PRO A CB 1 +ATOM 1344 C CG . PRO A 1 177 ? 75.813 38.137 40.779 1.00 16.28 ? ? ? ? ? ? 177 PRO A CG 1 +ATOM 1345 C CD . PRO A 1 177 ? 75.007 39.068 39.929 1.00 17.20 ? ? ? ? ? ? 177 PRO A CD 1 +ATOM 1346 N N . ALA A 1 178 ? 72.597 36.894 39.018 1.00 20.45 ? ? ? ? ? ? 178 ALA A N 1 +ATOM 1347 C CA . ALA A 1 178 ? 71.251 36.337 38.972 1.00 22.30 ? ? ? ? ? ? 178 ALA A CA 1 +ATOM 1348 C C . ALA A 1 178 ? 70.823 35.828 37.597 1.00 22.85 ? ? ? ? ? ? 178 ALA A C 1 +ATOM 1349 O O . ALA A 1 178 ? 69.990 34.936 37.507 1.00 24.93 ? ? ? ? ? ? 178 ALA A O 1 +ATOM 1350 C CB . ALA A 1 178 ? 70.246 37.373 39.478 1.00 22.00 ? ? ? ? ? ? 178 ALA A CB 1 +ATOM 1351 N N . ASP A 1 179 ? 71.385 36.382 36.531 1.00 21.21 ? ? ? ? ? ? 179 ASP A N 1 +ATOM 1352 C CA . ASP A 1 179 ? 70.991 35.964 35.194 1.00 20.92 ? ? ? ? ? ? 179 ASP A CA 1 +ATOM 1353 C C . ASP A 1 179 ? 72.115 35.338 34.385 1.00 20.42 ? ? ? ? ? ? 179 ASP A C 1 +ATOM 1354 O O . ASP A 1 179 ? 71.890 34.701 33.343 1.00 19.02 ? ? ? ? ? ? 179 ASP A O 1 +ATOM 1355 C CB . ASP A 1 179 ? 70.494 37.187 34.423 1.00 23.01 ? ? ? ? ? ? 179 ASP A CB 1 +ATOM 1356 C CG . ASP A 1 179 ? 69.156 37.688 34.905 1.00 22.14 ? ? ? ? ? ? 179 ASP A CG 1 +ATOM 1357 O OD1 . ASP A 1 179 ? 68.682 37.264 35.974 1.00 23.33 ? ? ? ? ? ? 179 ASP A OD1 1 +ATOM 1358 O OD2 . ASP A 1 179 ? 68.566 38.503 34.187 1.00 22.11 ? ? ? ? ? ? 179 ASP A OD2 1 +ATOM 1359 N N . SER A 1 180 ? 73.329 35.644 34.817 1.00 20.19 ? ? ? ? ? ? 180 SER A N 1 +ATOM 1360 C CA . SER A 1 180 ? 74.546 35.207 34.173 1.00 18.16 ? ? ? ? ? ? 180 SER A CA 1 +ATOM 1361 C C . SER A 1 180 ? 75.104 33.912 34.706 1.00 17.98 ? ? ? ? ? ? 180 SER A C 1 +ATOM 1362 O O . SER A 1 180 ? 75.678 33.135 33.959 1.00 19.47 ? ? ? ? ? ? 180 SER A O 1 +ATOM 1363 C CB . SER A 1 180 ? 75.574 36.298 34.361 1.00 18.04 ? ? ? ? ? ? 180 SER A CB 1 +ATOM 1364 O OG . SER A 1 180 ? 74.932 37.547 34.296 1.00 17.71 ? ? ? ? ? ? 180 SER A OG 1 +ATOM 1365 N N . HIS A 1 181 ? 75.076 33.748 36.019 1.00 17.27 ? ? ? ? ? ? 181 HIS A N 1 +ATOM 1366 C CA . HIS A 1 181 ? 75.576 32.536 36.638 1.00 16.80 ? ? ? ? ? ? 181 HIS A CA 1 +ATOM 1367 C C . HIS A 1 181 ? 74.642 32.281 37.819 1.00 16.97 ? ? ? ? ? ? 181 HIS A C 1 +ATOM 1368 O O . HIS A 1 181 ? 74.934 32.689 38.946 1.00 19.82 ? ? ? ? ? ? 181 HIS A O 1 +ATOM 1369 C CB . HIS A 1 181 ? 77.020 32.711 37.143 1.00 16.16 ? ? ? ? ? ? 181 HIS A CB 1 +ATOM 1370 C CG . HIS A 1 181 ? 77.989 33.221 36.112 1.00 16.43 ? ? ? ? ? ? 181 HIS A CG 1 +ATOM 1371 N ND1 . HIS A 1 181 ? 78.308 34.558 35.984 1.00 14.77 ? ? ? ? ? ? 181 HIS A ND1 1 +ATOM 1372 C CD2 . HIS A 1 181 ? 78.744 32.570 35.197 1.00 16.30 ? ? ? ? ? ? 181 HIS A CD2 1 +ATOM 1373 C CE1 . HIS A 1 181 ? 79.212 34.708 35.035 1.00 14.36 ? ? ? ? ? ? 181 HIS A CE1 1 +ATOM 1374 N NE2 . HIS A 1 181 ? 79.495 33.518 34.542 1.00 15.49 ? ? ? ? ? ? 181 HIS A NE2 1 +ATOM 1375 N N . PRO A 1 182 ? 73.480 31.660 37.570 1.00 14.73 ? ? ? ? ? ? 182 PRO A N 1 +ATOM 1376 C CA . PRO A 1 182 ? 72.479 31.342 38.582 1.00 13.15 ? ? ? ? ? ? 182 PRO A CA 1 +ATOM 1377 C C . PRO A 1 182 ? 72.970 30.558 39.785 1.00 14.13 ? ? ? ? ? ? 182 PRO A C 1 +ATOM 1378 O O . PRO A 1 182 ? 72.460 30.758 40.893 1.00 14.02 ? ? ? ? ? ? 182 PRO A O 1 +ATOM 1379 C CB . PRO A 1 182 ? 71.449 30.577 37.780 1.00 13.12 ? ? ? ? ? ? 182 PRO A CB 1 +ATOM 1380 C CG . PRO A 1 182 ? 71.428 31.358 36.543 1.00 13.74 ? ? ? ? ? ? 182 PRO A CG 1 +ATOM 1381 C CD . PRO A 1 182 ? 72.907 31.466 36.231 1.00 14.28 ? ? ? ? ? ? 182 PRO A CD 1 +ATOM 1382 N N . ILE A 1 183 ? 73.931 29.653 39.566 1.00 13.97 ? ? ? ? ? ? 183 ILE A N 1 +ATOM 1383 C CA . ILE A 1 183 ? 74.515 28.855 40.653 1.00 13.20 ? ? ? ? ? ? 183 ILE A CA 1 +ATOM 1384 C C . ILE A 1 183 ? 75.497 29.720 41.433 1.00 13.54 ? ? ? ? ? ? 183 ILE A C 1 +ATOM 1385 O O . ILE A 1 183 ? 75.721 29.508 42.621 1.00 13.35 ? ? ? ? ? ? 183 ILE A O 1 +ATOM 1386 C CB . ILE A 1 183 ? 75.161 27.523 40.122 1.00 14.27 ? ? ? ? ? ? 183 ILE A CB 1 +ATOM 1387 C CG1 . ILE A 1 183 ? 74.161 26.355 40.257 1.00 13.51 ? ? ? ? ? ? 183 ILE A CG1 1 +ATOM 1388 C CG2 . ILE A 1 183 ? 76.462 27.189 40.840 1.00 11.66 ? ? ? ? ? ? 183 ILE A CG2 1 +ATOM 1389 C CD1 . ILE A 1 183 ? 72.803 26.557 39.541 1.00 11.26 ? ? ? ? ? ? 183 ILE A CD1 1 +ATOM 1390 N N . VAL A 1 184 ? 76.048 30.735 40.774 1.00 14.82 ? ? ? ? ? ? 184 VAL A N 1 +ATOM 1391 C CA . VAL A 1 184 ? 76.955 31.671 41.450 1.00 16.35 ? ? ? ? ? ? 184 VAL A CA 1 +ATOM 1392 C C . VAL A 1 184 ? 76.021 32.626 42.220 1.00 18.27 ? ? ? ? ? ? 184 VAL A C 1 +ATOM 1393 O O . VAL A 1 184 ? 76.341 33.073 43.343 1.00 19.93 ? ? ? ? ? ? 184 VAL A O 1 +ATOM 1394 C CB . VAL A 1 184 ? 77.910 32.439 40.453 1.00 14.59 ? ? ? ? ? ? 184 VAL A CB 1 +ATOM 1395 C CG1 . VAL A 1 184 ? 78.550 33.655 41.124 1.00 13.72 ? ? ? ? ? ? 184 VAL A CG1 1 +ATOM 1396 C CG2 . VAL A 1 184 ? 79.025 31.513 39.979 1.00 11.04 ? ? ? ? ? ? 184 VAL A CG2 1 +ATOM 1397 N N . ALA A 1 185 ? 74.832 32.866 41.665 1.00 17.21 ? ? ? ? ? ? 185 ALA A N 1 +ATOM 1398 C CA . ALA A 1 185 ? 73.870 33.712 42.348 1.00 17.77 ? ? ? ? ? ? 185 ALA A CA 1 +ATOM 1399 C C . ALA A 1 185 ? 73.520 32.965 43.619 1.00 19.04 ? ? ? ? ? ? 185 ALA A C 1 +ATOM 1400 O O . ALA A 1 185 ? 73.654 33.490 44.725 1.00 20.95 ? ? ? ? ? ? 185 ALA A O 1 +ATOM 1401 C CB . ALA A 1 185 ? 72.641 33.905 41.518 1.00 15.98 ? ? ? ? ? ? 185 ALA A CB 1 +ATOM 1402 N N . ASN A 1 186 ? 73.179 31.695 43.476 1.00 19.07 ? ? ? ? ? ? 186 ASN A N 1 +ATOM 1403 C CA . ASN A 1 186 ? 72.814 30.903 44.638 1.00 19.23 ? ? ? ? ? ? 186 ASN A CA 1 +ATOM 1404 C C . ASN A 1 186 ? 73.909 30.784 45.688 1.00 19.89 ? ? ? ? ? ? 186 ASN A C 1 +ATOM 1405 O O . ASN A 1 186 ? 73.653 30.372 46.816 1.00 21.73 ? ? ? ? ? ? 186 ASN A O 1 +ATOM 1406 C CB . ASN A 1 186 ? 72.299 29.542 44.200 1.00 18.21 ? ? ? ? ? ? 186 ASN A CB 1 +ATOM 1407 C CG . ASN A 1 186 ? 71.143 29.654 43.241 1.00 18.83 ? ? ? ? ? ? 186 ASN A CG 1 +ATOM 1408 O OD1 . ASN A 1 186 ? 70.694 30.745 42.913 1.00 19.77 ? ? ? ? ? ? 186 ASN A OD1 1 +ATOM 1409 N ND2 . ASN A 1 186 ? 70.685 28.527 42.741 1.00 22.84 ? ? ? ? ? ? 186 ASN A ND2 1 +ATOM 1410 N N . HIS A 1 187 ? 75.139 31.127 45.334 1.00 19.77 ? ? ? ? ? ? 187 HIS A N 1 +ATOM 1411 C CA . HIS A 1 187 ? 76.203 31.076 46.325 1.00 18.58 ? ? ? ? ? ? 187 HIS A CA 1 +ATOM 1412 C C . HIS A 1 187 ? 76.224 32.430 47.039 1.00 18.64 ? ? ? ? ? ? 187 HIS A C 1 +ATOM 1413 O O . HIS A 1 187 ? 76.552 32.506 48.235 1.00 19.44 ? ? ? ? ? ? 187 HIS A O 1 +ATOM 1414 C CB . HIS A 1 187 ? 77.545 30.754 45.672 1.00 18.20 ? ? ? ? ? ? 187 HIS A CB 1 +ATOM 1415 C CG . HIS A 1 187 ? 77.765 29.295 45.432 1.00 15.45 ? ? ? ? ? ? 187 HIS A CG 1 +ATOM 1416 N ND1 . HIS A 1 187 ? 78.278 28.452 46.391 1.00 14.75 ? ? ? ? ? ? 187 HIS A ND1 1 +ATOM 1417 C CD2 . HIS A 1 187 ? 77.557 28.527 44.337 1.00 17.08 ? ? ? ? ? ? 187 HIS A CD2 1 +ATOM 1418 C CE1 . HIS A 1 187 ? 78.379 27.230 45.899 1.00 15.93 ? ? ? ? ? ? 187 HIS A CE1 1 +ATOM 1419 N NE2 . HIS A 1 187 ? 77.948 27.247 44.652 1.00 14.38 ? ? ? ? ? ? 187 HIS A NE2 1 +ATOM 1420 N N . VAL A 1 188 ? 75.847 33.483 46.302 1.00 18.72 ? ? ? ? ? ? 188 VAL A N 1 +ATOM 1421 C CA . VAL A 1 188 ? 75.755 34.864 46.809 1.00 17.36 ? ? ? ? ? ? 188 VAL A CA 1 +ATOM 1422 C C . VAL A 1 188 ? 74.649 34.905 47.839 1.00 16.86 ? ? ? ? ? ? 188 VAL A C 1 +ATOM 1423 O O . VAL A 1 188 ? 74.853 35.367 48.963 1.00 18.79 ? ? ? ? ? ? 188 VAL A O 1 +ATOM 1424 C CB . VAL A 1 188 ? 75.372 35.867 45.670 1.00 18.08 ? ? ? ? ? ? 188 VAL A CB 1 +ATOM 1425 C CG1 . VAL A 1 188 ? 74.762 37.137 46.236 1.00 17.46 ? ? ? ? ? ? 188 VAL A CG1 1 +ATOM 1426 C CG2 . VAL A 1 188 ? 76.590 36.192 44.795 1.00 18.75 ? ? ? ? ? ? 188 VAL A CG2 1 +ATOM 1427 N N . ILE A 1 189 ? 73.473 34.418 47.449 1.00 16.18 ? ? ? ? ? ? 189 ILE A N 1 +ATOM 1428 C CA . ILE A 1 189 ? 72.293 34.379 48.323 1.00 15.80 ? ? ? ? ? ? 189 ILE A CA 1 +ATOM 1429 C C . ILE A 1 189 ? 72.612 33.636 49.631 1.00 17.36 ? ? ? ? ? ? 189 ILE A C 1 +ATOM 1430 O O . ILE A 1 189 ? 72.177 34.044 50.719 1.00 16.67 ? ? ? ? ? ? 189 ILE A O 1 +ATOM 1431 C CB . ILE A 1 189 ? 71.097 33.726 47.562 1.00 14.63 ? ? ? ? ? ? 189 ILE A CB 1 +ATOM 1432 C CG1 . ILE A 1 189 ? 70.449 34.743 46.637 1.00 10.03 ? ? ? ? ? ? 189 ILE A CG1 1 +ATOM 1433 C CG2 . ILE A 1 189 ? 70.062 33.124 48.501 1.00 12.46 ? ? ? ? ? ? 189 ILE A CG2 1 +ATOM 1434 C CD1 . ILE A 1 189 ? 69.585 34.093 45.639 1.00 7.93 ? ? ? ? ? ? 189 ILE A CD1 1 +ATOM 1435 N N . ASN A 1 190 ? 73.406 32.570 49.506 1.00 19.07 ? ? ? ? ? ? 190 ASN A N 1 +ATOM 1436 C CA . ASN A 1 190 ? 73.840 31.749 50.628 1.00 20.16 ? ? ? ? ? ? 190 ASN A CA 1 +ATOM 1437 C C . ASN A 1 190 ? 74.566 32.606 51.623 1.00 21.21 ? ? ? ? ? ? 190 ASN A C 1 +ATOM 1438 O O . ASN A 1 190 ? 74.257 32.545 52.807 1.00 20.96 ? ? ? ? ? ? 190 ASN A O 1 +ATOM 1439 C CB . ASN A 1 190 ? 74.784 30.664 50.155 1.00 22.34 ? ? ? ? ? ? 190 ASN A CB 1 +ATOM 1440 C CG . ASN A 1 190 ? 74.277 29.294 50.470 1.00 25.99 ? ? ? ? ? ? 190 ASN A CG 1 +ATOM 1441 O OD1 . ASN A 1 190 ? 74.539 28.336 49.737 1.00 28.09 ? ? ? ? ? ? 190 ASN A OD1 1 +ATOM 1442 N ND2 . ASN A 1 190 ? 73.539 29.174 51.570 1.00 27.58 ? ? ? ? ? ? 190 ASN A ND2 1 +ATOM 1443 N N . ALA A 1 191 ? 75.554 33.372 51.141 1.00 22.47 ? ? ? ? ? ? 191 ALA A N 1 +ATOM 1444 C CA . ALA A 1 191 ? 76.336 34.300 51.975 1.00 24.09 ? ? ? ? ? ? 191 ALA A CA 1 +ATOM 1445 C C . ALA A 1 191 ? 75.375 35.216 52.720 1.00 25.24 ? ? ? ? ? ? 191 ALA A C 1 +ATOM 1446 O O . ALA A 1 191 ? 75.469 35.349 53.937 1.00 25.95 ? ? ? ? ? ? 191 ALA A O 1 +ATOM 1447 C CB . ALA A 1 191 ? 77.303 35.151 51.117 1.00 23.33 ? ? ? ? ? ? 191 ALA A CB 1 +ATOM 1448 N N . LYS A 1 192 ? 74.447 35.840 51.994 1.00 26.39 ? ? ? ? ? ? 192 LYS A N 1 +ATOM 1449 C CA . LYS A 1 192 ? 73.457 36.714 52.622 1.00 28.53 ? ? ? ? ? ? 192 LYS A CA 1 +ATOM 1450 C C . LYS A 1 192 ? 72.723 35.957 53.728 1.00 29.54 ? ? ? ? ? ? 192 LYS A C 1 +ATOM 1451 O O . LYS A 1 192 ? 72.587 36.453 54.852 1.00 28.63 ? ? ? ? ? ? 192 LYS A O 1 +ATOM 1452 C CB . LYS A 1 192 ? 72.467 37.223 51.576 1.00 29.65 ? ? ? ? ? ? 192 LYS A CB 1 +ATOM 1453 C CG . LYS A 1 192 ? 71.207 37.889 52.131 1.00 33.52 ? ? ? ? ? ? 192 LYS A CG 1 +ATOM 1454 C CD . LYS A 1 192 ? 71.483 38.910 53.235 1.00 35.98 ? ? ? ? ? ? 192 LYS A CD 1 +ATOM 1455 C CE . LYS A 1 192 ? 72.201 40.154 52.730 1.00 36.84 ? ? ? ? ? ? 192 LYS A CE 1 +ATOM 1456 N NZ . LYS A 1 192 ? 72.568 41.027 53.886 1.00 36.13 ? ? ? ? ? ? 192 LYS A NZ 1 +ATOM 1457 N N . ARG A 1 193 ? 72.292 34.737 53.406 1.00 31.61 ? ? ? ? ? ? 193 ARG A N 1 +ATOM 1458 C CA . ARG A 1 193 ? 71.584 33.863 54.347 1.00 33.20 ? ? ? ? ? ? 193 ARG A CA 1 +ATOM 1459 C C . ARG A 1 193 ? 72.434 33.687 55.600 1.00 31.72 ? ? ? ? ? ? 193 ARG A C 1 +ATOM 1460 O O . ARG A 1 193 ? 71.942 33.813 56.715 1.00 32.27 ? ? ? ? ? ? 193 ARG A O 1 +ATOM 1461 C CB . ARG A 1 193 ? 71.290 32.507 53.687 1.00 36.18 ? ? ? ? ? ? 193 ARG A CB 1 +ATOM 1462 C CG . ARG A 1 193 ? 70.466 31.540 54.530 1.00 40.53 ? ? ? ? ? ? 193 ARG A CG 1 +ATOM 1463 C CD . ARG A 1 193 ? 69.910 30.366 53.700 1.00 44.73 ? ? ? ? ? ? 193 ARG A CD 1 +ATOM 1464 N NE . ARG A 1 193 ? 69.115 29.442 54.521 1.00 48.09 ? ? ? ? ? ? 193 ARG A NE 1 +ATOM 1465 C CZ . ARG A 1 193 ? 67.807 29.223 54.366 1.00 50.62 ? ? ? ? ? ? 193 ARG A CZ 1 +ATOM 1466 N NH1 . ARG A 1 193 ? 67.117 29.854 53.413 1.00 49.85 ? ? ? ? ? ? 193 ARG A NH1 1 +ATOM 1467 N NH2 . ARG A 1 193 ? 67.177 28.388 55.191 1.00 51.26 ? ? ? ? ? ? 193 ARG A NH2 1 +ATOM 1468 N N . ASN A 1 194 ? 73.728 33.487 55.392 1.00 30.29 ? ? ? ? ? ? 194 ASN A N 1 +ATOM 1469 C CA . ASN A 1 194 ? 74.677 33.327 56.469 1.00 29.71 ? ? ? ? ? ? 194 ASN A CA 1 +ATOM 1470 C C . ASN A 1 194 ? 75.070 34.656 57.101 1.00 30.94 ? ? ? ? ? ? 194 ASN A C 1 +ATOM 1471 O O . ASN A 1 194 ? 76.064 34.732 57.820 1.00 31.57 ? ? ? ? ? ? 194 ASN A O 1 +ATOM 1472 C CB . ASN A 1 194 ? 75.908 32.601 55.962 1.00 29.22 ? ? ? ? ? ? 194 ASN A CB 1 +ATOM 1473 C CG . ASN A 1 194 ? 75.615 31.167 55.605 1.00 29.19 ? ? ? ? ? ? 194 ASN A CG 1 +ATOM 1474 O OD1 . ASN A 1 194 ? 74.649 30.591 56.105 1.00 31.40 ? ? ? ? ? ? 194 ASN A OD1 1 +ATOM 1475 N ND2 . ASN A 1 194 ? 76.440 30.573 54.743 1.00 27.19 ? ? ? ? ? ? 194 ASN A ND2 1 +ATOM 1476 N N . GLY A 1 195 ? 74.320 35.713 56.794 1.00 31.90 ? ? ? ? ? ? 195 GLY A N 1 +ATOM 1477 C CA . GLY A 1 195 ? 74.571 37.012 57.390 1.00 32.51 ? ? ? ? ? ? 195 GLY A CA 1 +ATOM 1478 C C . GLY A 1 195 ? 75.548 37.957 56.727 1.00 34.01 ? ? ? ? ? ? 195 GLY A C 1 +ATOM 1479 O O . GLY A 1 195 ? 75.912 38.986 57.303 1.00 35.65 ? ? ? ? ? ? 195 GLY A O 1 +ATOM 1480 N N . ALA A 1 196 ? 75.993 37.638 55.525 1.00 34.05 ? ? ? ? ? ? 196 ALA A N 1 +ATOM 1481 C CA . ALA A 1 196 ? 76.925 38.529 54.856 1.00 33.35 ? ? ? ? ? ? 196 ALA A CA 1 +ATOM 1482 C C . ALA A 1 196 ? 76.111 39.717 54.386 1.00 33.24 ? ? ? ? ? ? 196 ALA A C 1 +ATOM 1483 O O . ALA A 1 196 ? 74.885 39.625 54.303 1.00 35.03 ? ? ? ? ? ? 196 ALA A O 1 +ATOM 1484 C CB . ALA A 1 196 ? 77.544 37.836 53.663 1.00 32.67 ? ? ? ? ? ? 196 ALA A CB 1 +ATOM 1485 N N . LYS A 1 197 ? 76.769 40.851 54.171 1.00 31.96 ? ? ? ? ? ? 197 LYS A N 1 +ATOM 1486 C CA . LYS A 1 197 ? 76.098 42.026 53.636 1.00 29.98 ? ? ? ? ? ? 197 LYS A CA 1 +ATOM 1487 C C . LYS A 1 197 ? 76.222 41.906 52.097 1.00 28.36 ? ? ? ? ? ? 197 LYS A C 1 +ATOM 1488 O O . LYS A 1 197 ? 76.951 41.059 51.573 1.00 27.63 ? ? ? ? ? ? 197 LYS A O 1 +ATOM 1489 C CB . LYS A 1 197 ? 76.790 43.296 54.117 1.00 32.80 ? ? ? ? ? ? 197 LYS A CB 1 +ATOM 1490 C CG . LYS A 1 197 ? 76.805 43.483 55.624 1.00 36.21 ? ? ? ? ? ? 197 LYS A CG 1 +ATOM 1491 C CD . LYS A 1 197 ? 77.843 44.548 56.030 1.00 40.13 ? ? ? ? ? ? 197 LYS A CD 1 +ATOM 1492 C CE . LYS A 1 197 ? 79.289 43.979 56.065 1.00 41.95 ? ? ? ? ? ? 197 LYS A CE 1 +ATOM 1493 N NZ . LYS A 1 197 ? 80.349 45.040 56.254 1.00 40.91 ? ? ? ? ? ? 197 LYS A NZ 1 +ATOM 1494 N N . ILE A 1 198 ? 75.499 42.737 51.365 1.00 26.26 ? ? ? ? ? ? 198 ILE A N 1 +ATOM 1495 C CA . ILE A 1 198 ? 75.549 42.695 49.911 1.00 22.50 ? ? ? ? ? ? 198 ILE A CA 1 +ATOM 1496 C C . ILE A 1 198 ? 75.396 44.098 49.369 1.00 21.57 ? ? ? ? ? ? 198 ILE A C 1 +ATOM 1497 O O . ILE A 1 198 ? 74.528 44.866 49.831 1.00 21.05 ? ? ? ? ? ? 198 ILE A O 1 +ATOM 1498 C CB . ILE A 1 198 ? 74.439 41.811 49.322 1.00 20.96 ? ? ? ? ? ? 198 ILE A CB 1 +ATOM 1499 C CG1 . ILE A 1 198 ? 74.597 40.372 49.811 1.00 19.85 ? ? ? ? ? ? 198 ILE A CG1 1 +ATOM 1500 C CG2 . ILE A 1 198 ? 74.495 41.856 47.803 1.00 20.09 ? ? ? ? ? ? 198 ILE A CG2 1 +ATOM 1501 C CD1 . ILE A 1 198 ? 73.703 39.392 49.091 1.00 19.96 ? ? ? ? ? ? 198 ILE A CD1 1 +ATOM 1502 N N . ILE A 1 199 ? 76.282 44.442 48.438 1.00 20.26 ? ? ? ? ? ? 199 ILE A N 1 +ATOM 1503 C CA . ILE A 1 199 ? 76.293 45.752 47.788 1.00 19.35 ? ? ? ? ? ? 199 ILE A CA 1 +ATOM 1504 C C . ILE A 1 199 ? 76.338 45.503 46.285 1.00 20.14 ? ? ? ? ? ? 199 ILE A C 1 +ATOM 1505 O O . ILE A 1 199 ? 77.167 44.722 45.786 1.00 19.88 ? ? ? ? ? ? 199 ILE A O 1 +ATOM 1506 C CB . ILE A 1 199 ? 77.542 46.599 48.180 1.00 17.65 ? ? ? ? ? ? 199 ILE A CB 1 +ATOM 1507 C CG1 . ILE A 1 199 ? 77.714 46.657 49.702 1.00 15.09 ? ? ? ? ? ? 199 ILE A CG1 1 +ATOM 1508 C CG2 . ILE A 1 199 ? 77.435 47.998 47.588 1.00 15.96 ? ? ? ? ? ? 199 ILE A CG2 1 +ATOM 1509 C CD1 . ILE A 1 199 ? 78.824 47.568 50.135 1.00 13.75 ? ? ? ? ? ? 199 ILE A CD1 1 +ATOM 1510 N N . VAL A 1 200 ? 75.429 46.146 45.571 1.00 20.78 ? ? ? ? ? ? 200 VAL A N 1 +ATOM 1511 C CA . VAL A 1 200 ? 75.357 45.998 44.127 1.00 22.43 ? ? ? ? ? ? 200 VAL A CA 1 +ATOM 1512 C C . VAL A 1 200 ? 75.557 47.366 43.484 1.00 22.96 ? ? ? ? ? ? 200 VAL A C 1 +ATOM 1513 O O . VAL A 1 200 ? 74.868 48.332 43.832 1.00 23.15 ? ? ? ? ? ? 200 VAL A O 1 +ATOM 1514 C CB . VAL A 1 200 ? 73.997 45.376 43.715 1.00 24.12 ? ? ? ? ? ? 200 VAL A CB 1 +ATOM 1515 C CG1 . VAL A 1 200 ? 73.901 45.232 42.181 1.00 23.97 ? ? ? ? ? ? 200 VAL A CG1 1 +ATOM 1516 C CG2 . VAL A 1 200 ? 73.830 44.003 44.395 1.00 23.26 ? ? ? ? ? ? 200 VAL A CG2 1 +ATOM 1517 N N . CYS A 1 201 ? 76.552 47.467 42.612 1.00 23.54 ? ? ? ? ? ? 201 CYS A N 1 +ATOM 1518 C CA . CYS A 1 201 ? 76.850 48.725 41.935 1.00 25.67 ? ? ? ? ? ? 201 CYS A CA 1 +ATOM 1519 C C . CYS A 1 201 ? 76.551 48.559 40.468 1.00 24.82 ? ? ? ? ? ? 201 CYS A C 1 +ATOM 1520 O O . CYS A 1 201 ? 77.389 48.074 39.707 1.00 25.47 ? ? ? ? ? ? 201 CYS A O 1 +ATOM 1521 C CB . CYS A 1 201 ? 78.313 49.100 42.136 1.00 25.96 ? ? ? ? ? ? 201 CYS A CB 1 +ATOM 1522 S SG . CYS A 1 201 ? 78.755 49.149 43.877 1.00 33.24 ? ? ? ? ? ? 201 CYS A SG 1 +ATOM 1523 N N . ASP A 1 202 ? 75.367 49.005 40.070 1.00 24.47 ? ? ? ? ? ? 202 ASP A N 1 +ATOM 1524 C CA . ASP A 1 202 ? 74.911 48.876 38.695 1.00 23.09 ? ? ? ? ? ? 202 ASP A CA 1 +ATOM 1525 C C . ASP A 1 202 ? 73.863 49.943 38.464 1.00 23.79 ? ? ? ? ? ? 202 ASP A C 1 +ATOM 1526 O O . ASP A 1 202 ? 73.142 50.325 39.391 1.00 24.41 ? ? ? ? ? ? 202 ASP A O 1 +ATOM 1527 C CB . ASP A 1 202 ? 74.235 47.499 38.545 1.00 22.04 ? ? ? ? ? ? 202 ASP A CB 1 +ATOM 1528 C CG . ASP A 1 202 ? 74.001 47.076 37.095 1.00 20.99 ? ? ? ? ? ? 202 ASP A CG 1 +ATOM 1529 O OD1 . ASP A 1 202 ? 73.387 47.816 36.302 1.00 18.91 ? ? ? ? ? ? 202 ASP A OD1 1 +ATOM 1530 O OD2 . ASP A 1 202 ? 74.389 45.941 36.766 1.00 19.16 ? ? ? ? ? ? 202 ASP A OD2 1 +ATOM 1531 N N . PRO A 1 203 ? 73.876 50.557 37.282 1.00 23.62 ? ? ? ? ? ? 203 PRO A N 1 +ATOM 1532 C CA . PRO A 1 203 ? 72.876 51.574 36.970 1.00 24.44 ? ? ? ? ? ? 203 PRO A CA 1 +ATOM 1533 C C . PRO A 1 203 ? 71.454 50.973 37.122 1.00 25.16 ? ? ? ? ? ? 203 PRO A C 1 +ATOM 1534 O O . PRO A 1 203 ? 70.635 51.517 37.878 1.00 26.48 ? ? ? ? ? ? 203 PRO A O 1 +ATOM 1535 C CB . PRO A 1 203 ? 73.200 51.903 35.517 1.00 23.95 ? ? ? ? ? ? 203 PRO A CB 1 +ATOM 1536 C CG . PRO A 1 203 ? 74.676 51.871 35.519 1.00 22.86 ? ? ? ? ? ? 203 PRO A CG 1 +ATOM 1537 C CD . PRO A 1 203 ? 75.039 50.678 36.386 1.00 22.99 ? ? ? ? ? ? 203 PRO A CD 1 +ATOM 1538 N N . ARG A 1 204 ? 71.196 49.834 36.457 1.00 25.20 ? ? ? ? ? ? 204 ARG A N 1 +ATOM 1539 C CA . ARG A 1 204 ? 69.899 49.135 36.503 1.00 25.38 ? ? ? ? ? ? 204 ARG A CA 1 +ATOM 1540 C C . ARG A 1 204 ? 69.588 48.502 37.858 1.00 26.99 ? ? ? ? ? ? 204 ARG A C 1 +ATOM 1541 O O . ARG A 1 204 ? 70.486 48.131 38.623 1.00 26.31 ? ? ? ? ? ? 204 ARG A O 1 +ATOM 1542 C CB . ARG A 1 204 ? 69.836 47.957 35.521 1.00 25.75 ? ? ? ? ? ? 204 ARG A CB 1 +ATOM 1543 C CG . ARG A 1 204 ? 70.206 48.197 34.090 1.00 27.09 ? ? ? ? ? ? 204 ARG A CG 1 +ATOM 1544 C CD . ARG A 1 204 ? 70.885 46.935 33.511 1.00 27.83 ? ? ? ? ? ? 204 ARG A CD 1 +ATOM 1545 N NE . ARG A 1 204 ? 69.961 45.879 33.082 1.00 29.49 ? ? ? ? ? ? 204 ARG A NE 1 +ATOM 1546 C CZ . ARG A 1 204 ? 70.283 44.589 32.937 1.00 28.58 ? ? ? ? ? ? 204 ARG A CZ 1 +ATOM 1547 N NH1 . ARG A 1 204 ? 71.509 44.159 33.195 1.00 29.58 ? ? ? ? ? ? 204 ARG A NH1 1 +ATOM 1548 N NH2 . ARG A 1 204 ? 69.388 43.728 32.471 1.00 27.91 ? ? ? ? ? ? 204 ARG A NH2 1 +ATOM 1549 N N . LYS A 1 205 ? 68.296 48.252 38.070 1.00 29.23 ? ? ? ? ? ? 205 LYS A N 1 +ATOM 1550 C CA . LYS A 1 205 ? 67.790 47.600 39.273 1.00 30.54 ? ? ? ? ? ? 205 LYS A CA 1 +ATOM 1551 C C . LYS A 1 205 ? 67.668 46.126 38.892 1.00 30.81 ? ? ? ? ? ? 205 LYS A C 1 +ATOM 1552 O O . LYS A 1 205 ? 66.579 45.624 38.622 1.00 30.63 ? ? ? ? ? ? 205 LYS A O 1 +ATOM 1553 C CB . LYS A 1 205 ? 66.417 48.154 39.637 1.00 31.73 ? ? ? ? ? ? 205 LYS A CB 1 +ATOM 1554 C CG . LYS A 1 205 ? 66.140 49.513 39.035 1.00 35.48 ? ? ? ? ? ? 205 LYS A CG 1 +ATOM 1555 C CD . LYS A 1 205 ? 64.748 49.991 39.342 1.00 38.37 ? ? ? ? ? ? 205 LYS A CD 1 +ATOM 1556 C CE . LYS A 1 205 ? 64.571 50.318 40.808 1.00 41.83 ? ? ? ? ? ? 205 LYS A CE 1 +ATOM 1557 N NZ . LYS A 1 205 ? 63.136 50.661 41.078 1.00 45.10 ? ? ? ? ? ? 205 LYS A NZ 1 +ATOM 1558 N N . ILE A 1 206 ? 68.816 45.464 38.786 1.00 31.64 ? ? ? ? ? ? 206 ILE A N 1 +ATOM 1559 C CA . ILE A 1 206 ? 68.884 44.049 38.420 1.00 31.54 ? ? ? ? ? ? 206 ILE A CA 1 +ATOM 1560 C C . ILE A 1 206 ? 68.338 43.199 39.568 1.00 32.93 ? ? ? ? ? ? 206 ILE A C 1 +ATOM 1561 O O . ILE A 1 206 ? 68.300 43.654 40.712 1.00 34.15 ? ? ? ? ? ? 206 ILE A O 1 +ATOM 1562 C CB . ILE A 1 206 ? 70.359 43.632 38.127 1.00 30.96 ? ? ? ? ? ? 206 ILE A CB 1 +ATOM 1563 C CG1 . ILE A 1 206 ? 71.263 44.056 39.289 1.00 28.71 ? ? ? ? ? ? 206 ILE A CG1 1 +ATOM 1564 C CG2 . ILE A 1 206 ? 70.840 44.205 36.781 1.00 29.49 ? ? ? ? ? ? 206 ILE A CG2 1 +ATOM 1565 C CD1 . ILE A 1 206 ? 72.721 43.881 39.015 1.00 28.94 ? ? ? ? ? ? 206 ILE A CD1 1 +ATOM 1566 N N . GLU A 1 207 ? 67.966 41.955 39.282 1.00 33.75 ? ? ? ? ? ? 207 GLU A N 1 +ATOM 1567 C CA . GLU A 1 207 ? 67.431 41.062 40.312 1.00 34.43 ? ? ? ? ? ? 207 GLU A CA 1 +ATOM 1568 C C . GLU A 1 207 ? 68.233 41.093 41.598 1.00 33.84 ? ? ? ? ? ? 207 GLU A C 1 +ATOM 1569 O O . GLU A 1 207 ? 67.693 41.295 42.688 1.00 33.75 ? ? ? ? ? ? 207 GLU A O 1 +ATOM 1570 C CB . GLU A 1 207 ? 67.356 39.628 39.786 1.00 36.60 ? ? ? ? ? ? 207 GLU A CB 1 +ATOM 1571 C CG . GLU A 1 207 ? 65.954 39.183 39.379 1.00 39.16 ? ? ? ? ? ? 207 GLU A CG 1 +ATOM 1572 C CD . GLU A 1 207 ? 65.019 39.009 40.571 1.00 40.61 ? ? ? ? ? ? 207 GLU A CD 1 +ATOM 1573 O OE1 . GLU A 1 207 ? 65.238 38.076 41.383 1.00 40.62 ? ? ? ? ? ? 207 GLU A OE1 1 +ATOM 1574 O OE2 . GLU A 1 207 ? 64.058 39.804 40.682 1.00 43.30 ? ? ? ? ? ? 207 GLU A OE2 1 +ATOM 1575 N N . THR A 1 208 ? 69.540 40.962 41.449 1.00 34.89 ? ? ? ? ? ? 208 THR A N 1 +ATOM 1576 C CA . THR A 1 208 ? 70.460 40.953 42.576 1.00 36.12 ? ? ? ? ? ? 208 THR A CA 1 +ATOM 1577 C C . THR A 1 208 ? 70.197 42.083 43.586 1.00 38.01 ? ? ? ? ? ? 208 THR A C 1 +ATOM 1578 O O . THR A 1 208 ? 70.169 41.859 44.804 1.00 39.05 ? ? ? ? ? ? 208 THR A O 1 +ATOM 1579 C CB . THR A 1 208 ? 71.907 41.054 42.067 1.00 34.59 ? ? ? ? ? ? 208 THR A CB 1 +ATOM 1580 O OG1 . THR A 1 208 ? 71.989 40.494 40.750 1.00 33.04 ? ? ? ? ? ? 208 THR A OG1 1 +ATOM 1581 C CG2 . THR A 1 208 ? 72.833 40.287 42.980 1.00 34.93 ? ? ? ? ? ? 208 THR A CG2 1 +ATOM 1582 N N . ALA A 1 209 ? 69.952 43.279 43.065 1.00 38.91 ? ? ? ? ? ? 209 ALA A N 1 +ATOM 1583 C CA . ALA A 1 209 ? 69.710 44.461 43.884 1.00 40.67 ? ? ? ? ? ? 209 ALA A CA 1 +ATOM 1584 C C . ALA A 1 209 ? 68.613 44.343 44.956 1.00 41.86 ? ? ? ? ? ? 209 ALA A C 1 +ATOM 1585 O O . ALA A 1 209 ? 68.659 45.048 45.976 1.00 41.65 ? ? ? ? ? ? 209 ALA A O 1 +ATOM 1586 C CB . ALA A 1 209 ? 69.430 45.666 42.978 1.00 39.83 ? ? ? ? ? ? 209 ALA A CB 1 +ATOM 1587 N N . ARG A 1 210 ? 67.640 43.461 44.744 1.00 42.49 ? ? ? ? ? ? 210 ARG A N 1 +ATOM 1588 C CA . ARG A 1 210 ? 66.557 43.337 45.711 1.00 43.05 ? ? ? ? ? ? 210 ARG A CA 1 +ATOM 1589 C C . ARG A 1 210 ? 67.029 42.834 47.061 1.00 41.81 ? ? ? ? ? ? 210 ARG A C 1 +ATOM 1590 O O . ARG A 1 210 ? 66.524 43.258 48.096 1.00 41.14 ? ? ? ? ? ? 210 ARG A O 1 +ATOM 1591 C CB . ARG A 1 210 ? 65.443 42.433 45.188 1.00 46.32 ? ? ? ? ? ? 210 ARG A CB 1 +ATOM 1592 C CG . ARG A 1 210 ? 64.065 42.799 45.749 1.00 48.65 ? ? ? ? ? ? 210 ARG A CG 1 +ATOM 1593 C CD . ARG A 1 210 ? 63.791 44.265 45.460 1.00 51.19 ? ? ? ? ? ? 210 ARG A CD 1 +ATOM 1594 N NE . ARG A 1 210 ? 62.473 44.713 45.885 1.00 52.70 ? ? ? ? ? ? 210 ARG A NE 1 +ATOM 1595 C CZ . ARG A 1 210 ? 62.121 45.993 45.975 1.00 54.08 ? ? ? ? ? ? 210 ARG A CZ 1 +ATOM 1596 N NH1 . ARG A 1 210 ? 62.990 46.962 45.676 1.00 53.21 ? ? ? ? ? ? 210 ARG A NH1 1 +ATOM 1597 N NH2 . ARG A 1 210 ? 60.887 46.305 46.353 1.00 55.38 ? ? ? ? ? ? 210 ARG A NH2 1 +ATOM 1598 N N . ILE A 1 211 ? 67.994 41.922 47.038 1.00 40.51 ? ? ? ? ? ? 211 ILE A N 1 +ATOM 1599 C CA . ILE A 1 211 ? 68.543 41.346 48.263 1.00 39.62 ? ? ? ? ? ? 211 ILE A CA 1 +ATOM 1600 C C . ILE A 1 211 ? 69.725 42.158 48.802 1.00 38.37 ? ? ? ? ? ? 211 ILE A C 1 +ATOM 1601 O O . ILE A 1 211 ? 70.285 41.854 49.870 1.00 38.51 ? ? ? ? ? ? 211 ILE A O 1 +ATOM 1602 C CB . ILE A 1 211 ? 68.983 39.891 48.027 1.00 39.83 ? ? ? ? ? ? 211 ILE A CB 1 +ATOM 1603 C CG1 . ILE A 1 211 ? 69.949 39.815 46.850 1.00 40.20 ? ? ? ? ? ? 211 ILE A CG1 1 +ATOM 1604 C CG2 . ILE A 1 211 ? 67.769 39.029 47.746 1.00 40.26 ? ? ? ? ? ? 211 ILE A CG2 1 +ATOM 1605 C CD1 . ILE A 1 211 ? 70.472 38.417 46.584 1.00 42.64 ? ? ? ? ? ? 211 ILE A CD1 1 +ATOM 1606 N N . ALA A 1 212 ? 70.064 43.218 48.072 1.00 36.64 ? ? ? ? ? ? 212 ALA A N 1 +ATOM 1607 C CA . ALA A 1 212 ? 71.175 44.092 48.421 1.00 33.35 ? ? ? ? ? ? 212 ALA A CA 1 +ATOM 1608 C C . ALA A 1 212 ? 70.879 45.135 49.482 1.00 31.47 ? ? ? ? ? ? 212 ALA A C 1 +ATOM 1609 O O . ALA A 1 212 ? 69.932 45.921 49.382 1.00 31.46 ? ? ? ? ? ? 212 ALA A O 1 +ATOM 1610 C CB . ALA A 1 212 ? 71.715 44.772 47.169 1.00 32.76 ? ? ? ? ? ? 212 ALA A CB 1 +ATOM 1611 N N . ASP A 1 213 ? 71.746 45.176 50.477 1.00 29.64 ? ? ? ? ? ? 213 ASP A N 1 +ATOM 1612 C CA . ASP A 1 213 ? 71.636 46.148 51.540 1.00 28.18 ? ? ? ? ? ? 213 ASP A CA 1 +ATOM 1613 C C . ASP A 1 213 ? 71.794 47.537 50.925 1.00 27.37 ? ? ? ? ? ? 213 ASP A C 1 +ATOM 1614 O O . ASP A 1 213 ? 71.114 48.475 51.312 1.00 27.51 ? ? ? ? ? ? 213 ASP A O 1 +ATOM 1615 C CB . ASP A 1 213 ? 72.745 45.902 52.532 1.00 28.43 ? ? ? ? ? ? 213 ASP A CB 1 +ATOM 1616 C CG . ASP A 1 213 ? 72.739 44.505 53.027 1.00 28.98 ? ? ? ? ? ? 213 ASP A CG 1 +ATOM 1617 O OD1 . ASP A 1 213 ? 73.024 43.608 52.212 1.00 29.78 ? ? ? ? ? ? 213 ASP A OD1 1 +ATOM 1618 O OD2 . ASP A 1 213 ? 72.409 44.301 54.215 1.00 31.10 ? ? ? ? ? ? 213 ASP A OD2 1 +ATOM 1619 N N . MET A 1 214 ? 72.712 47.664 49.975 1.00 25.43 ? ? ? ? ? ? 214 MET A N 1 +ATOM 1620 C CA . MET A 1 214 ? 72.921 48.927 49.308 1.00 23.97 ? ? ? ? ? ? 214 MET A CA 1 +ATOM 1621 C C . MET A 1 214 ? 72.949 48.779 47.789 1.00 23.87 ? ? ? ? ? ? 214 MET A C 1 +ATOM 1622 O O . MET A 1 214 ? 73.674 47.931 47.261 1.00 25.39 ? ? ? ? ? ? 214 MET A O 1 +ATOM 1623 C CB . MET A 1 214 ? 74.253 49.550 49.757 1.00 23.93 ? ? ? ? ? ? 214 MET A CB 1 +ATOM 1624 C CG . MET A 1 214 ? 74.148 50.596 50.858 1.00 24.11 ? ? ? ? ? ? 214 MET A CG 1 +ATOM 1625 S SD . MET A 1 214 ? 75.689 51.467 51.170 1.00 21.86 ? ? ? ? ? ? 214 MET A SD 1 +ATOM 1626 C CE . MET A 1 214 ? 75.771 52.383 49.640 1.00 24.51 ? ? ? ? ? ? 214 MET A CE 1 +ATOM 1627 N N . HIS A 1 215 ? 72.107 49.520 47.084 1.00 21.96 ? ? ? ? ? ? 215 HIS A N 1 +ATOM 1628 C CA . HIS A 1 215 ? 72.196 49.506 45.632 1.00 22.76 ? ? ? ? ? ? 215 HIS A CA 1 +ATOM 1629 C C . HIS A 1 215 ? 72.783 50.890 45.263 1.00 23.86 ? ? ? ? ? ? 215 HIS A C 1 +ATOM 1630 O O . HIS A 1 215 ? 72.283 51.935 45.695 1.00 24.58 ? ? ? ? ? ? 215 HIS A O 1 +ATOM 1631 C CB . HIS A 1 215 ? 70.846 49.267 44.953 1.00 20.69 ? ? ? ? ? ? 215 HIS A CB 1 +ATOM 1632 C CG . HIS A 1 215 ? 70.895 49.388 43.452 1.00 19.24 ? ? ? ? ? ? 215 HIS A CG 1 +ATOM 1633 N ND1 . HIS A 1 215 ? 69.999 48.738 42.627 1.00 19.11 ? ? ? ? ? ? 215 HIS A ND1 1 +ATOM 1634 C CD2 . HIS A 1 215 ? 71.719 50.083 42.636 1.00 18.28 ? ? ? ? ? ? 215 HIS A CD2 1 +ATOM 1635 C CE1 . HIS A 1 215 ? 70.273 49.027 41.368 1.00 18.50 ? ? ? ? ? ? 215 HIS A CE1 1 +ATOM 1636 N NE2 . HIS A 1 215 ? 71.310 49.840 41.342 1.00 19.62 ? ? ? ? ? ? 215 HIS A NE2 1 +ATOM 1637 N N . ILE A 1 216 ? 73.877 50.881 44.507 1.00 24.76 ? ? ? ? ? ? 216 ILE A N 1 +ATOM 1638 C CA . ILE A 1 216 ? 74.562 52.105 44.102 1.00 24.32 ? ? ? ? ? ? 216 ILE A CA 1 +ATOM 1639 C C . ILE A 1 216 ? 74.422 52.285 42.604 1.00 23.73 ? ? ? ? ? ? 216 ILE A C 1 +ATOM 1640 O O . ILE A 1 216 ? 75.250 51.833 41.821 1.00 21.85 ? ? ? ? ? ? 216 ILE A O 1 +ATOM 1641 C CB . ILE A 1 216 ? 76.055 52.064 44.532 1.00 24.89 ? ? ? ? ? ? 216 ILE A CB 1 +ATOM 1642 C CG1 . ILE A 1 216 ? 76.156 52.157 46.055 1.00 24.78 ? ? ? ? ? ? 216 ILE A CG1 1 +ATOM 1643 C CG2 . ILE A 1 216 ? 76.851 53.188 43.894 1.00 23.84 ? ? ? ? ? ? 216 ILE A CG2 1 +ATOM 1644 C CD1 . ILE A 1 216 ? 77.473 51.624 46.585 1.00 26.99 ? ? ? ? ? ? 216 ILE A CD1 1 +ATOM 1645 N N . ALA A 1 217 ? 73.306 52.890 42.222 1.00 24.80 ? ? ? ? ? ? 217 ALA A N 1 +ATOM 1646 C CA . ALA A 1 217 ? 72.990 53.138 40.821 1.00 25.44 ? ? ? ? ? ? 217 ALA A CA 1 +ATOM 1647 C C . ALA A 1 217 ? 73.862 54.207 40.144 1.00 24.82 ? ? ? ? ? ? 217 ALA A C 1 +ATOM 1648 O O . ALA A 1 217 ? 73.356 55.270 39.756 1.00 24.62 ? ? ? ? ? ? 217 ALA A O 1 +ATOM 1649 C CB . ALA A 1 217 ? 71.506 53.487 40.681 1.00 24.41 ? ? ? ? ? ? 217 ALA A CB 1 +ATOM 1650 N N . LEU A 1 218 ? 75.152 53.906 39.976 1.00 24.27 ? ? ? ? ? ? 218 LEU A N 1 +ATOM 1651 C CA . LEU A 1 218 ? 76.081 54.840 39.331 1.00 24.79 ? ? ? ? ? ? 218 LEU A CA 1 +ATOM 1652 C C . LEU A 1 218 ? 75.724 55.078 37.847 1.00 24.50 ? ? ? ? ? ? 218 LEU A C 1 +ATOM 1653 O O . LEU A 1 218 ? 75.377 54.159 37.108 1.00 24.83 ? ? ? ? ? ? 218 LEU A O 1 +ATOM 1654 C CB . LEU A 1 218 ? 77.540 54.374 39.475 1.00 24.72 ? ? ? ? ? ? 218 LEU A CB 1 +ATOM 1655 C CG . LEU A 1 218 ? 78.088 53.297 38.535 1.00 25.30 ? ? ? ? ? ? 218 LEU A CG 1 +ATOM 1656 C CD1 . LEU A 1 218 ? 79.569 53.053 38.790 1.00 25.59 ? ? ? ? ? ? 218 LEU A CD1 1 +ATOM 1657 C CD2 . LEU A 1 218 ? 77.300 52.020 38.703 1.00 25.45 ? ? ? ? ? ? 218 LEU A CD2 1 +ATOM 1658 N N . LYS A 1 219 ? 75.784 56.328 37.422 1.00 24.67 ? ? ? ? ? ? 219 LYS A N 1 +ATOM 1659 C CA . LYS A 1 219 ? 75.451 56.670 36.065 1.00 23.54 ? ? ? ? ? ? 219 LYS A CA 1 +ATOM 1660 C C . LYS A 1 219 ? 76.344 55.895 35.145 1.00 22.47 ? ? ? ? ? ? 219 LYS A C 1 +ATOM 1661 O O . LYS A 1 219 ? 77.559 55.844 35.322 1.00 23.26 ? ? ? ? ? ? 219 LYS A O 1 +ATOM 1662 C CB . LYS A 1 219 ? 75.654 58.155 35.807 1.00 24.85 ? ? ? ? ? ? 219 LYS A CB 1 +ATOM 1663 C CG . LYS A 1 219 ? 74.735 59.048 36.574 1.00 27.17 ? ? ? ? ? ? 219 LYS A CG 1 +ATOM 1664 C CD . LYS A 1 219 ? 74.990 60.494 36.196 1.00 29.19 ? ? ? ? ? ? 219 LYS A CD 1 +ATOM 1665 C CE . LYS A 1 219 ? 73.820 61.380 36.555 1.00 29.62 ? ? ? ? ? ? 219 LYS A CE 1 +ATOM 1666 N NZ . LYS A 1 219 ? 74.202 62.802 36.464 1.00 30.34 ? ? ? ? ? ? 219 LYS A NZ 1 +ATOM 1667 N N . ASN A 1 220 ? 75.718 55.314 34.140 1.00 20.83 ? ? ? ? ? ? 220 ASN A N 1 +ATOM 1668 C CA . ASN A 1 220 ? 76.398 54.542 33.134 1.00 19.66 ? ? ? ? ? ? 220 ASN A CA 1 +ATOM 1669 C C . ASN A 1 220 ? 77.731 55.202 32.758 1.00 19.42 ? ? ? ? ? ? 220 ASN A C 1 +ATOM 1670 O O . ASN A 1 220 ? 77.796 56.401 32.526 1.00 19.18 ? ? ? ? ? ? 220 ASN A O 1 +ATOM 1671 C CB . ASN A 1 220 ? 75.481 54.391 31.905 1.00 18.55 ? ? ? ? ? ? 220 ASN A CB 1 +ATOM 1672 C CG . ASN A 1 220 ? 74.254 53.509 32.179 1.00 18.84 ? ? ? ? ? ? 220 ASN A CG 1 +ATOM 1673 O OD1 . ASN A 1 220 ? 73.892 52.661 31.371 1.00 19.84 ? ? ? ? ? ? 220 ASN A OD1 1 +ATOM 1674 N ND2 . ASN A 1 220 ? 73.616 53.707 33.318 1.00 17.56 ? ? ? ? ? ? 220 ASN A ND2 1 +ATOM 1675 N N . GLY A 1 221 ? 78.801 54.414 32.822 1.00 19.58 ? ? ? ? ? ? 221 GLY A N 1 +ATOM 1676 C CA . GLY A 1 221 ? 80.125 54.882 32.461 1.00 18.11 ? ? ? ? ? ? 221 GLY A CA 1 +ATOM 1677 C C . GLY A 1 221 ? 80.871 55.760 33.433 1.00 17.22 ? ? ? ? ? ? 221 GLY A C 1 +ATOM 1678 O O . GLY A 1 221 ? 81.820 56.407 33.020 1.00 17.38 ? ? ? ? ? ? 221 GLY A O 1 +ATOM 1679 N N . SER A 1 222 ? 80.496 55.753 34.709 1.00 16.47 ? ? ? ? ? ? 222 SER A N 1 +ATOM 1680 C CA . SER A 1 222 ? 81.153 56.582 35.731 1.00 14.81 ? ? ? ? ? ? 222 SER A CA 1 +ATOM 1681 C C . SER A 1 222 ? 81.909 55.786 36.802 1.00 14.21 ? ? ? ? ? ? 222 SER A C 1 +ATOM 1682 O O . SER A 1 222 ? 82.163 56.304 37.888 1.00 13.28 ? ? ? ? ? ? 222 SER A O 1 +ATOM 1683 C CB . SER A 1 222 ? 80.081 57.408 36.440 1.00 14.83 ? ? ? ? ? ? 222 SER A CB 1 +ATOM 1684 O OG . SER A 1 222 ? 79.205 56.563 37.171 1.00 15.05 ? ? ? ? ? ? 222 SER A OG 1 +ATOM 1685 N N . ASN A 1 223 ? 82.286 54.551 36.479 1.00 15.39 ? ? ? ? ? ? 223 ASN A N 1 +ATOM 1686 C CA . ASN A 1 223 ? 82.941 53.618 37.409 1.00 15.56 ? ? ? ? ? ? 223 ASN A CA 1 +ATOM 1687 C C . ASN A 1 223 ? 84.128 54.157 38.199 1.00 17.26 ? ? ? ? ? ? 223 ASN A C 1 +ATOM 1688 O O . ASN A 1 223 ? 84.139 54.099 39.427 1.00 17.12 ? ? ? ? ? ? 223 ASN A O 1 +ATOM 1689 C CB . ASN A 1 223 ? 83.355 52.318 36.688 1.00 15.74 ? ? ? ? ? ? 223 ASN A CB 1 +ATOM 1690 C CG . ASN A 1 223 ? 82.196 51.645 35.929 1.00 16.80 ? ? ? ? ? ? 223 ASN A CG 1 +ATOM 1691 O OD1 . ASN A 1 223 ? 81.751 50.544 36.285 1.00 13.20 ? ? ? ? ? ? 223 ASN A OD1 1 +ATOM 1692 N ND2 . ASN A 1 223 ? 81.748 52.287 34.832 1.00 17.14 ? ? ? ? ? ? 223 ASN A ND2 1 +ATOM 1693 N N . ILE A 1 224 ? 85.120 54.709 37.508 1.00 18.73 ? ? ? ? ? ? 224 ILE A N 1 +ATOM 1694 C CA . ILE A 1 224 ? 86.305 55.222 38.183 1.00 18.78 ? ? ? ? ? ? 224 ILE A CA 1 +ATOM 1695 C C . ILE A 1 224 ? 85.970 56.401 39.095 1.00 19.45 ? ? ? ? ? ? 224 ILE A C 1 +ATOM 1696 O O . ILE A 1 224 ? 86.621 56.625 40.111 1.00 19.74 ? ? ? ? ? ? 224 ILE A O 1 +ATOM 1697 C CB . ILE A 1 224 ? 87.379 55.637 37.171 1.00 19.25 ? ? ? ? ? ? 224 ILE A CB 1 +ATOM 1698 C CG1 . ILE A 1 224 ? 87.640 54.494 36.175 1.00 19.57 ? ? ? ? ? ? 224 ILE A CG1 1 +ATOM 1699 C CG2 . ILE A 1 224 ? 88.647 56.073 37.911 1.00 19.88 ? ? ? ? ? ? 224 ILE A CG2 1 +ATOM 1700 C CD1 . ILE A 1 224 ? 88.877 53.656 36.436 1.00 19.63 ? ? ? ? ? ? 224 ILE A CD1 1 +ATOM 1701 N N . ALA A 1 225 ? 84.961 57.168 38.711 1.00 19.93 ? ? ? ? ? ? 225 ALA A N 1 +ATOM 1702 C CA . ALA A 1 225 ? 84.551 58.308 39.502 1.00 19.48 ? ? ? ? ? ? 225 ALA A CA 1 +ATOM 1703 C C . ALA A 1 225 ? 84.096 57.749 40.829 1.00 19.40 ? ? ? ? ? ? 225 ALA A C 1 +ATOM 1704 O O . ALA A 1 225 ? 84.587 58.151 41.880 1.00 20.58 ? ? ? ? ? ? 225 ALA A O 1 +ATOM 1705 C CB . ALA A 1 225 ? 83.413 59.057 38.810 1.00 19.45 ? ? ? ? ? ? 225 ALA A CB 1 +ATOM 1706 N N . LEU A 1 226 ? 83.202 56.774 40.780 1.00 18.90 ? ? ? ? ? ? 226 LEU A N 1 +ATOM 1707 C CA . LEU A 1 226 ? 82.708 56.182 42.016 1.00 19.16 ? ? ? ? ? ? 226 LEU A CA 1 +ATOM 1708 C C . LEU A 1 226 ? 83.833 55.506 42.804 1.00 19.28 ? ? ? ? ? ? 226 LEU A C 1 +ATOM 1709 O O . LEU A 1 226 ? 83.928 55.656 44.032 1.00 21.54 ? ? ? ? ? ? 226 LEU A O 1 +ATOM 1710 C CB . LEU A 1 226 ? 81.606 55.152 41.742 1.00 17.51 ? ? ? ? ? ? 226 LEU A CB 1 +ATOM 1711 C CG . LEU A 1 226 ? 81.218 54.467 43.051 1.00 16.63 ? ? ? ? ? ? 226 LEU A CG 1 +ATOM 1712 C CD1 . LEU A 1 226 ? 80.606 55.506 43.942 1.00 14.93 ? ? ? ? ? ? 226 LEU A CD1 1 +ATOM 1713 C CD2 . LEU A 1 226 ? 80.294 53.276 42.844 1.00 17.19 ? ? ? ? ? ? 226 LEU A CD2 1 +ATOM 1714 N N . LEU A 1 227 ? 84.694 54.790 42.093 1.00 16.15 ? ? ? ? ? ? 227 LEU A N 1 +ATOM 1715 C CA . LEU A 1 227 ? 85.765 54.060 42.726 1.00 14.71 ? ? ? ? ? ? 227 LEU A CA 1 +ATOM 1716 C C . LEU A 1 227 ? 86.772 54.908 43.521 1.00 14.58 ? ? ? ? ? ? 227 LEU A C 1 +ATOM 1717 O O . LEU A 1 227 ? 86.994 54.681 44.720 1.00 14.47 ? ? ? ? ? ? 227 LEU A O 1 +ATOM 1718 C CB . LEU A 1 227 ? 86.446 53.194 41.674 1.00 15.05 ? ? ? ? ? ? 227 LEU A CB 1 +ATOM 1719 C CG . LEU A 1 227 ? 85.608 51.972 41.302 1.00 15.50 ? ? ? ? ? ? 227 LEU A CG 1 +ATOM 1720 C CD1 . LEU A 1 227 ? 86.117 51.362 40.009 1.00 17.05 ? ? ? ? ? ? 227 LEU A CD1 1 +ATOM 1721 C CD2 . LEU A 1 227 ? 85.648 50.964 42.450 1.00 13.52 ? ? ? ? ? ? 227 LEU A CD2 1 +ATOM 1722 N N . ASN A 1 228 ? 87.357 55.903 42.870 1.00 12.97 ? ? ? ? ? ? 228 ASN A N 1 +ATOM 1723 C CA . ASN A 1 228 ? 88.314 56.763 43.523 1.00 12.45 ? ? ? ? ? ? 228 ASN A CA 1 +ATOM 1724 C C . ASN A 1 228 ? 87.679 57.365 44.766 1.00 15.52 ? ? ? ? ? ? 228 ASN A C 1 +ATOM 1725 O O . ASN A 1 228 ? 88.308 57.435 45.830 1.00 17.46 ? ? ? ? ? ? 228 ASN A O 1 +ATOM 1726 C CB . ASN A 1 228 ? 88.764 57.846 42.566 1.00 9.62 ? ? ? ? ? ? 228 ASN A CB 1 +ATOM 1727 C CG . ASN A 1 228 ? 89.454 57.282 41.346 1.00 8.92 ? ? ? ? ? ? 228 ASN A CG 1 +ATOM 1728 O OD1 . ASN A 1 228 ? 89.950 56.159 41.359 1.00 7.32 ? ? ? ? ? ? 228 ASN A OD1 1 +ATOM 1729 N ND2 . ASN A 1 228 ? 89.500 58.061 40.286 1.00 9.39 ? ? ? ? ? ? 228 ASN A ND2 1 +ATOM 1730 N N . ALA A 1 229 ? 86.399 57.710 44.671 1.00 16.89 ? ? ? ? ? ? 229 ALA A N 1 +ATOM 1731 C CA . ALA A 1 229 ? 85.705 58.291 45.808 1.00 17.59 ? ? ? ? ? ? 229 ALA A CA 1 +ATOM 1732 C C . ALA A 1 229 ? 85.619 57.279 46.975 1.00 18.45 ? ? ? ? ? ? 229 ALA A C 1 +ATOM 1733 O O . ALA A 1 229 ? 85.695 57.664 48.150 1.00 17.65 ? ? ? ? ? ? 229 ALA A O 1 +ATOM 1734 C CB . ALA A 1 229 ? 84.332 58.787 45.384 1.00 15.82 ? ? ? ? ? ? 229 ALA A CB 1 +ATOM 1735 N N . MET A 1 230 ? 85.510 55.988 46.665 1.00 19.20 ? ? ? ? ? ? 230 MET A N 1 +ATOM 1736 C CA . MET A 1 230 ? 85.449 54.989 47.738 1.00 22.22 ? ? ? ? ? ? 230 MET A CA 1 +ATOM 1737 C C . MET A 1 230 ? 86.832 54.870 48.371 1.00 24.05 ? ? ? ? ? ? 230 MET A C 1 +ATOM 1738 O O . MET A 1 230 ? 86.969 54.763 49.609 1.00 23.16 ? ? ? ? ? ? 230 MET A O 1 +ATOM 1739 C CB . MET A 1 230 ? 84.972 53.626 47.220 1.00 21.80 ? ? ? ? ? ? 230 MET A CB 1 +ATOM 1740 C CG . MET A 1 230 ? 83.520 53.639 46.752 1.00 21.49 ? ? ? ? ? ? 230 MET A CG 1 +ATOM 1741 S SD . MET A 1 230 ? 82.912 52.043 46.190 1.00 20.85 ? ? ? ? ? ? 230 MET A SD 1 +ATOM 1742 C CE . MET A 1 230 ? 82.478 51.252 47.758 1.00 16.47 ? ? ? ? ? ? 230 MET A CE 1 +ATOM 1743 N N . GLY A 1 231 ? 87.850 54.909 47.503 1.00 25.52 ? ? ? ? ? ? 231 GLY A N 1 +ATOM 1744 C CA . GLY A 1 231 ? 89.232 54.841 47.942 1.00 25.19 ? ? ? ? ? ? 231 GLY A CA 1 +ATOM 1745 C C . GLY A 1 231 ? 89.537 56.080 48.759 1.00 24.92 ? ? ? ? ? ? 231 GLY A C 1 +ATOM 1746 O O . GLY A 1 231 ? 90.230 56.009 49.780 1.00 24.30 ? ? ? ? ? ? 231 GLY A O 1 +ATOM 1747 N N . HIS A 1 232 ? 88.949 57.204 48.348 1.00 24.68 ? ? ? ? ? ? 232 HIS A N 1 +ATOM 1748 C CA . HIS A 1 232 ? 89.129 58.480 49.042 1.00 25.12 ? ? ? ? ? ? 232 HIS A CA 1 +ATOM 1749 C C . HIS A 1 232 ? 88.669 58.332 50.479 1.00 24.46 ? ? ? ? ? ? 232 HIS A C 1 +ATOM 1750 O O . HIS A 1 232 ? 89.371 58.723 51.397 1.00 24.06 ? ? ? ? ? ? 232 HIS A O 1 +ATOM 1751 C CB . HIS A 1 232 ? 88.312 59.583 48.366 1.00 25.28 ? ? ? ? ? ? 232 HIS A CB 1 +ATOM 1752 C CG . HIS A 1 232 ? 88.343 60.898 49.089 1.00 24.69 ? ? ? ? ? ? 232 HIS A CG 1 +ATOM 1753 N ND1 . HIS A 1 232 ? 89.061 61.983 48.635 1.00 24.81 ? ? ? ? ? ? 232 HIS A ND1 1 +ATOM 1754 C CD2 . HIS A 1 232 ? 87.740 61.303 50.232 1.00 24.07 ? ? ? ? ? ? 232 HIS A CD2 1 +ATOM 1755 C CE1 . HIS A 1 232 ? 88.905 62.994 49.467 1.00 23.37 ? ? ? ? ? ? 232 HIS A CE1 1 +ATOM 1756 N NE2 . HIS A 1 232 ? 88.106 62.608 50.445 1.00 23.08 ? ? ? ? ? ? 232 HIS A NE2 1 +ATOM 1757 N N . VAL A 1 233 ? 87.474 57.781 50.654 1.00 24.98 ? ? ? ? ? ? 233 VAL A N 1 +ATOM 1758 C CA . VAL A 1 233 ? 86.895 57.564 51.974 1.00 24.95 ? ? ? ? ? ? 233 VAL A CA 1 +ATOM 1759 C C . VAL A 1 233 ? 87.698 56.578 52.813 1.00 25.47 ? ? ? ? ? ? 233 VAL A C 1 +ATOM 1760 O O . VAL A 1 233 ? 87.970 56.836 53.989 1.00 24.98 ? ? ? ? ? ? 233 VAL A O 1 +ATOM 1761 C CB . VAL A 1 233 ? 85.432 57.068 51.863 1.00 25.06 ? ? ? ? ? ? 233 VAL A CB 1 +ATOM 1762 C CG1 . VAL A 1 233 ? 84.910 56.632 53.237 1.00 24.67 ? ? ? ? ? ? 233 VAL A CG1 1 +ATOM 1763 C CG2 . VAL A 1 233 ? 84.541 58.175 51.265 1.00 23.33 ? ? ? ? ? ? 233 VAL A CG2 1 +ATOM 1764 N N . ILE A 1 234 ? 88.081 55.453 52.211 1.00 26.62 ? ? ? ? ? ? 234 ILE A N 1 +ATOM 1765 C CA . ILE A 1 234 ? 88.847 54.435 52.927 1.00 26.69 ? ? ? ? ? ? 234 ILE A CA 1 +ATOM 1766 C C . ILE A 1 234 ? 90.134 54.988 53.540 1.00 26.96 ? ? ? ? ? ? 234 ILE A C 1 +ATOM 1767 O O . ILE A 1 234 ? 90.491 54.624 54.664 1.00 26.20 ? ? ? ? ? ? 234 ILE A O 1 +ATOM 1768 C CB . ILE A 1 234 ? 89.104 53.185 52.037 1.00 26.26 ? ? ? ? ? ? 234 ILE A CB 1 +ATOM 1769 C CG1 . ILE A 1 234 ? 87.832 52.337 51.976 1.00 27.02 ? ? ? ? ? ? 234 ILE A CG1 1 +ATOM 1770 C CG2 . ILE A 1 234 ? 90.204 52.323 52.610 1.00 26.53 ? ? ? ? ? ? 234 ILE A CG2 1 +ATOM 1771 C CD1 . ILE A 1 234 ? 87.954 51.075 51.134 1.00 27.80 ? ? ? ? ? ? 234 ILE A CD1 1 +ATOM 1772 N N . ILE A 1 235 ? 90.815 55.874 52.812 1.00 27.73 ? ? ? ? ? ? 235 ILE A N 1 +ATOM 1773 C CA . ILE A 1 235 ? 92.047 56.494 53.297 1.00 27.92 ? ? ? ? ? ? 235 ILE A CA 1 +ATOM 1774 C C . ILE A 1 235 ? 91.723 57.666 54.218 1.00 29.55 ? ? ? ? ? ? 235 ILE A C 1 +ATOM 1775 O O . ILE A 1 235 ? 92.282 57.766 55.310 1.00 30.43 ? ? ? ? ? ? 235 ILE A O 1 +ATOM 1776 C CB . ILE A 1 235 ? 92.942 56.960 52.128 1.00 27.34 ? ? ? ? ? ? 235 ILE A CB 1 +ATOM 1777 C CG1 . ILE A 1 235 ? 93.570 55.732 51.437 1.00 28.86 ? ? ? ? ? ? 235 ILE A CG1 1 +ATOM 1778 C CG2 . ILE A 1 235 ? 94.001 57.921 52.617 1.00 23.91 ? ? ? ? ? ? 235 ILE A CG2 1 +ATOM 1779 C CD1 . ILE A 1 235 ? 94.315 56.015 50.126 1.00 26.15 ? ? ? ? ? ? 235 ILE A CD1 1 +ATOM 1780 N N . GLU A 1 236 ? 90.782 58.515 53.802 1.00 31.13 ? ? ? ? ? ? 236 GLU A N 1 +ATOM 1781 C CA . GLU A 1 236 ? 90.367 59.683 54.589 1.00 32.54 ? ? ? ? ? ? 236 GLU A CA 1 +ATOM 1782 C C . GLU A 1 236 ? 90.014 59.286 56.019 1.00 32.08 ? ? ? ? ? ? 236 GLU A C 1 +ATOM 1783 O O . GLU A 1 236 ? 90.481 59.897 56.971 1.00 33.35 ? ? ? ? ? ? 236 GLU A O 1 +ATOM 1784 C CB . GLU A 1 236 ? 89.152 60.379 53.957 1.00 34.82 ? ? ? ? ? ? 236 GLU A CB 1 +ATOM 1785 C CG . GLU A 1 236 ? 88.804 61.731 54.604 1.00 40.63 ? ? ? ? ? ? 236 GLU A CG 1 +ATOM 1786 C CD . GLU A 1 236 ? 87.488 62.337 54.098 1.00 43.51 ? ? ? ? ? ? 236 GLU A CD 1 +ATOM 1787 O OE1 . GLU A 1 236 ? 86.427 61.702 54.283 1.00 46.10 ? ? ? ? ? ? 236 GLU A OE1 1 +ATOM 1788 O OE2 . GLU A 1 236 ? 87.503 63.457 53.531 1.00 44.65 ? ? ? ? ? ? 236 GLU A OE2 1 +ATOM 1789 N N . GLU A 1 237 ? 89.203 58.246 56.162 1.00 31.59 ? ? ? ? ? ? 237 GLU A N 1 +ATOM 1790 C CA . GLU A 1 237 ? 88.778 57.770 57.477 1.00 29.79 ? ? ? ? ? ? 237 GLU A CA 1 +ATOM 1791 C C . GLU A 1 237 ? 89.689 56.732 58.135 1.00 29.41 ? ? ? ? ? ? 237 GLU A C 1 +ATOM 1792 O O . GLU A 1 237 ? 89.284 56.112 59.119 1.00 28.55 ? ? ? ? ? ? 237 GLU A O 1 +ATOM 1793 C CB . GLU A 1 237 ? 87.368 57.192 57.400 1.00 28.13 ? ? ? ? ? ? 237 GLU A CB 1 +ATOM 1794 C CG . GLU A 1 237 ? 86.355 58.106 56.764 1.00 22.96 ? ? ? ? ? ? 237 GLU A CG 1 +ATOM 1795 C CD . GLU A 1 237 ? 84.950 57.724 57.101 1.00 19.55 ? ? ? ? ? ? 237 GLU A CD 1 +ATOM 1796 O OE1 . GLU A 1 237 ? 84.737 56.643 57.676 1.00 16.11 ? ? ? ? ? ? 237 GLU A OE1 1 +ATOM 1797 O OE2 . GLU A 1 237 ? 84.052 58.527 56.802 1.00 18.30 ? ? ? ? ? ? 237 GLU A OE2 1 +ATOM 1798 N N . ASN A 1 238 ? 90.875 56.506 57.564 1.00 28.99 ? ? ? ? ? ? 238 ASN A N 1 +ATOM 1799 C CA . ASN A 1 238 ? 91.856 55.554 58.102 1.00 29.23 ? ? ? ? ? ? 238 ASN A CA 1 +ATOM 1800 C C . ASN A 1 238 ? 91.333 54.138 58.270 1.00 29.42 ? ? ? ? ? ? 238 ASN A C 1 +ATOM 1801 O O . ASN A 1 238 ? 91.766 53.412 59.162 1.00 29.36 ? ? ? ? ? ? 238 ASN A O 1 +ATOM 1802 C CB . ASN A 1 238 ? 92.395 56.046 59.447 1.00 30.40 ? ? ? ? ? ? 238 ASN A CB 1 +ATOM 1803 C CG . ASN A 1 238 ? 93.072 57.394 59.339 1.00 32.50 ? ? ? ? ? ? 238 ASN A CG 1 +ATOM 1804 O OD1 . ASN A 1 238 ? 93.882 57.623 58.435 1.00 33.29 ? ? ? ? ? ? 238 ASN A OD1 1 +ATOM 1805 N ND2 . ASN A 1 238 ? 92.725 58.308 60.242 1.00 32.31 ? ? ? ? ? ? 238 ASN A ND2 1 +ATOM 1806 N N . LEU A 1 239 ? 90.438 53.731 57.378 1.00 29.98 ? ? ? ? ? ? 239 LEU A N 1 +ATOM 1807 C CA . LEU A 1 239 ? 89.829 52.408 57.438 1.00 29.50 ? ? ? ? ? ? 239 LEU A CA 1 +ATOM 1808 C C . LEU A 1 239 ? 90.621 51.335 56.718 1.00 29.91 ? ? ? ? ? ? 239 LEU A C 1 +ATOM 1809 O O . LEU A 1 239 ? 90.277 50.150 56.787 1.00 29.59 ? ? ? ? ? ? 239 LEU A O 1 +ATOM 1810 C CB . LEU A 1 239 ? 88.419 52.472 56.867 1.00 29.20 ? ? ? ? ? ? 239 LEU A CB 1 +ATOM 1811 C CG . LEU A 1 239 ? 87.452 53.358 57.647 1.00 30.65 ? ? ? ? ? ? 239 LEU A CG 1 +ATOM 1812 C CD1 . LEU A 1 239 ? 86.188 53.574 56.831 1.00 31.67 ? ? ? ? ? ? 239 LEU A CD1 1 +ATOM 1813 C CD2 . LEU A 1 239 ? 87.125 52.729 58.998 1.00 30.71 ? ? ? ? ? ? 239 LEU A CD2 1 +ATOM 1814 N N . TYR A 1 240 ? 91.674 51.749 56.017 1.00 30.04 ? ? ? ? ? ? 240 TYR A N 1 +ATOM 1815 C CA . TYR A 1 240 ? 92.498 50.810 55.264 1.00 29.23 ? ? ? ? ? ? 240 TYR A CA 1 +ATOM 1816 C C . TYR A 1 240 ? 93.398 49.934 56.120 1.00 28.84 ? ? ? ? ? ? 240 TYR A C 1 +ATOM 1817 O O . TYR A 1 240 ? 93.596 50.194 57.313 1.00 28.11 ? ? ? ? ? ? 240 TYR A O 1 +ATOM 1818 C CB . TYR A 1 240 ? 93.320 51.522 54.185 1.00 28.93 ? ? ? ? ? ? 240 TYR A CB 1 +ATOM 1819 C CG . TYR A 1 240 ? 94.410 52.461 54.673 1.00 28.14 ? ? ? ? ? ? 240 TYR A CG 1 +ATOM 1820 C CD1 . TYR A 1 240 ? 94.125 53.781 55.008 1.00 27.55 ? ? ? ? ? ? 240 TYR A CD1 1 +ATOM 1821 C CD2 . TYR A 1 240 ? 95.741 52.056 54.697 1.00 28.80 ? ? ? ? ? ? 240 TYR A CD2 1 +ATOM 1822 C CE1 . TYR A 1 240 ? 95.131 54.666 55.340 1.00 26.17 ? ? ? ? ? ? 240 TYR A CE1 1 +ATOM 1823 C CE2 . TYR A 1 240 ? 96.757 52.942 55.024 1.00 27.31 ? ? ? ? ? ? 240 TYR A CE2 1 +ATOM 1824 C CZ . TYR A 1 240 ? 96.445 54.242 55.338 1.00 26.50 ? ? ? ? ? ? 240 TYR A CZ 1 +ATOM 1825 O OH . TYR A 1 240 ? 97.458 55.129 55.597 1.00 25.95 ? ? ? ? ? ? 240 TYR A OH 1 +ATOM 1826 N N . ASP A 1 241 ? 93.973 48.919 55.477 1.00 27.84 ? ? ? ? ? ? 241 ASP A N 1 +ATOM 1827 C CA . ASP A 1 241 ? 94.845 47.968 56.138 1.00 26.79 ? ? ? ? ? ? 241 ASP A CA 1 +ATOM 1828 C C . ASP A 1 241 ? 96.302 48.394 56.038 1.00 25.76 ? ? ? ? ? ? 241 ASP A C 1 +ATOM 1829 O O . ASP A 1 241 ? 97.016 47.985 55.133 1.00 25.11 ? ? ? ? ? ? 241 ASP A O 1 +ATOM 1830 C CB . ASP A 1 241 ? 94.655 46.583 55.530 1.00 26.92 ? ? ? ? ? ? 241 ASP A CB 1 +ATOM 1831 C CG . ASP A 1 241 ? 95.135 45.478 56.446 1.00 27.04 ? ? ? ? ? ? 241 ASP A CG 1 +ATOM 1832 O OD1 . ASP A 1 241 ? 96.124 45.674 57.173 1.00 27.84 ? ? ? ? ? ? 241 ASP A OD1 1 +ATOM 1833 O OD2 . ASP A 1 241 ? 94.523 44.397 56.441 1.00 28.94 ? ? ? ? ? ? 241 ASP A OD2 1 +ATOM 1834 N N . LYS A 1 242 ? 96.749 49.175 57.014 1.00 25.14 ? ? ? ? ? ? 242 LYS A N 1 +ATOM 1835 C CA . LYS A 1 242 ? 98.116 49.664 57.047 1.00 23.91 ? ? ? ? ? ? 242 LYS A CA 1 +ATOM 1836 C C . LYS A 1 242 ? 99.159 48.550 57.000 1.00 23.11 ? ? ? ? ? ? 242 LYS A C 1 +ATOM 1837 O O . LYS A 1 242 ? 99.945 48.486 56.067 1.00 22.67 ? ? ? ? ? ? 242 LYS A O 1 +ATOM 1838 C CB . LYS A 1 242 ? 98.288 50.589 58.240 1.00 23.25 ? ? ? ? ? ? 242 LYS A CB 1 +ATOM 1839 C CG . LYS A 1 242 ? 97.497 51.850 58.005 1.00 26.34 ? ? ? ? ? ? 242 LYS A CG 1 +ATOM 1840 C CD . LYS A 1 242 ? 97.012 52.549 59.261 1.00 29.46 ? ? ? ? ? ? 242 LYS A CD 1 +ATOM 1841 C CE . LYS A 1 242 ? 96.007 53.645 58.878 1.00 28.39 ? ? ? ? ? ? 242 LYS A CE 1 +ATOM 1842 N NZ . LYS A 1 242 ? 95.718 54.557 60.006 1.00 27.52 ? ? ? ? ? ? 242 LYS A NZ 1 +ATOM 1843 N N . ALA A 1 243 ? 99.114 47.629 57.953 1.00 22.35 ? ? ? ? ? ? 243 ALA A N 1 +ATOM 1844 C CA . ALA A 1 243 ? 100.056 46.524 57.970 1.00 20.11 ? ? ? ? ? ? 243 ALA A CA 1 +ATOM 1845 C C . ALA A 1 243 ? 100.069 45.803 56.619 1.00 19.95 ? ? ? ? ? ? 243 ALA A C 1 +ATOM 1846 O O . ALA A 1 243 ? 101.119 45.672 55.992 1.00 21.41 ? ? ? ? ? ? 243 ALA A O 1 +ATOM 1847 C CB . ALA A 1 243 ? 99.700 45.566 59.063 1.00 19.00 ? ? ? ? ? ? 243 ALA A CB 1 +ATOM 1848 N N . PHE A 1 244 ? 98.908 45.363 56.150 1.00 17.97 ? ? ? ? ? ? 244 PHE A N 1 +ATOM 1849 C CA . PHE A 1 244 ? 98.847 44.651 54.871 1.00 16.88 ? ? ? ? ? ? 244 PHE A CA 1 +ATOM 1850 C C . PHE A 1 244 ? 99.484 45.536 53.804 1.00 17.24 ? ? ? ? ? ? 244 PHE A C 1 +ATOM 1851 O O . PHE A 1 244 ? 100.489 45.171 53.190 1.00 17.25 ? ? ? ? ? ? 244 PHE A O 1 +ATOM 1852 C CB . PHE A 1 244 ? 97.394 44.310 54.510 1.00 15.54 ? ? ? ? ? ? 244 PHE A CB 1 +ATOM 1853 C CG . PHE A 1 244 ? 97.257 43.459 53.291 1.00 14.33 ? ? ? ? ? ? 244 PHE A CG 1 +ATOM 1854 C CD1 . PHE A 1 244 ? 97.555 42.112 53.336 1.00 12.42 ? ? ? ? ? ? 244 PHE A CD1 1 +ATOM 1855 C CD2 . PHE A 1 244 ? 96.862 44.018 52.076 1.00 15.64 ? ? ? ? ? ? 244 PHE A CD2 1 +ATOM 1856 C CE1 . PHE A 1 244 ? 97.473 41.333 52.197 1.00 13.56 ? ? ? ? ? ? 244 PHE A CE1 1 +ATOM 1857 C CE2 . PHE A 1 244 ? 96.776 43.240 50.918 1.00 14.37 ? ? ? ? ? ? 244 PHE A CE2 1 +ATOM 1858 C CZ . PHE A 1 244 ? 97.084 41.894 50.983 1.00 14.09 ? ? ? ? ? ? 244 PHE A CZ 1 +ATOM 1859 N N . VAL A 1 245 ? 98.937 46.736 53.659 1.00 17.49 ? ? ? ? ? ? 245 VAL A N 1 +ATOM 1860 C CA . VAL A 1 245 ? 99.430 47.710 52.698 1.00 17.35 ? ? ? ? ? ? 245 VAL A CA 1 +ATOM 1861 C C . VAL A 1 245 ? 100.949 47.818 52.731 1.00 16.30 ? ? ? ? ? ? 245 VAL A C 1 +ATOM 1862 O O . VAL A 1 245 ? 101.603 47.593 51.723 1.00 17.07 ? ? ? ? ? ? 245 VAL A O 1 +ATOM 1863 C CB . VAL A 1 245 ? 98.752 49.120 52.910 1.00 17.25 ? ? ? ? ? ? 245 VAL A CB 1 +ATOM 1864 C CG1 . VAL A 1 245 ? 99.519 50.222 52.188 1.00 14.61 ? ? ? ? ? ? 245 VAL A CG1 1 +ATOM 1865 C CG2 . VAL A 1 245 ? 97.321 49.088 52.370 1.00 15.47 ? ? ? ? ? ? 245 VAL A CG2 1 +ATOM 1866 N N . ALA A 1 246 ? 101.504 48.002 53.917 1.00 15.97 ? ? ? ? ? ? 246 ALA A N 1 +ATOM 1867 C CA . ALA A 1 246 ? 102.940 48.170 54.070 1.00 15.69 ? ? ? ? ? ? 246 ALA A CA 1 +ATOM 1868 C C . ALA A 1 246 ? 103.745 46.940 53.788 1.00 16.45 ? ? ? ? ? ? 246 ALA A C 1 +ATOM 1869 O O . ALA A 1 246 ? 104.807 47.029 53.185 1.00 17.66 ? ? ? ? ? ? 246 ALA A O 1 +ATOM 1870 C CB . ALA A 1 246 ? 103.263 48.676 55.456 1.00 14.48 ? ? ? ? ? ? 246 ALA A CB 1 +ATOM 1871 N N . SER A 1 247 ? 103.216 45.784 54.165 1.00 18.19 ? ? ? ? ? ? 247 SER A N 1 +ATOM 1872 C CA . SER A 1 247 ? 103.942 44.532 54.004 1.00 18.41 ? ? ? ? ? ? 247 SER A CA 1 +ATOM 1873 C C . SER A 1 247 ? 103.791 43.812 52.690 1.00 20.15 ? ? ? ? ? ? 247 SER A C 1 +ATOM 1874 O O . SER A 1 247 ? 104.724 43.110 52.269 1.00 23.49 ? ? ? ? ? ? 247 SER A O 1 +ATOM 1875 C CB . SER A 1 247 ? 103.578 43.558 55.125 1.00 17.05 ? ? ? ? ? ? 247 SER A CB 1 +ATOM 1876 O OG . SER A 1 247 ? 102.182 43.319 55.179 1.00 16.69 ? ? ? ? ? ? 247 SER A OG 1 +ATOM 1877 N N . ARG A 1 248 ? 102.648 43.986 52.035 1.00 18.03 ? ? ? ? ? ? 248 ARG A N 1 +ATOM 1878 C CA . ARG A 1 248 ? 102.394 43.268 50.808 1.00 17.40 ? ? ? ? ? ? 248 ARG A CA 1 +ATOM 1879 C C . ARG A 1 248 ? 102.032 44.094 49.589 1.00 18.86 ? ? ? ? ? ? 248 ARG A C 1 +ATOM 1880 O O . ARG A 1 248 ? 101.705 43.521 48.542 1.00 18.74 ? ? ? ? ? ? 248 ARG A O 1 +ATOM 1881 C CB . ARG A 1 248 ? 101.285 42.242 51.053 1.00 17.49 ? ? ? ? ? ? 248 ARG A CB 1 +ATOM 1882 C CG . ARG A 1 248 ? 101.672 40.958 51.767 1.00 14.23 ? ? ? ? ? ? 248 ARG A CG 1 +ATOM 1883 C CD . ARG A 1 248 ? 100.406 40.184 52.080 1.00 14.89 ? ? ? ? ? ? 248 ARG A CD 1 +ATOM 1884 N NE . ARG A 1 248 ? 100.438 38.764 51.724 1.00 14.88 ? ? ? ? ? ? 248 ARG A NE 1 +ATOM 1885 C CZ . ARG A 1 248 ? 100.042 38.262 50.554 1.00 16.42 ? ? ? ? ? ? 248 ARG A CZ 1 +ATOM 1886 N NH1 . ARG A 1 248 ? 99.590 39.055 49.595 1.00 15.88 ? ? ? ? ? ? 248 ARG A NH1 1 +ATOM 1887 N NH2 . ARG A 1 248 ? 100.047 36.949 50.354 1.00 15.88 ? ? ? ? ? ? 248 ARG A NH2 1 +ATOM 1888 N N . THR A 1 249 ? 102.041 45.421 49.699 1.00 20.23 ? ? ? ? ? ? 249 THR A N 1 +ATOM 1889 C CA . THR A 1 249 ? 101.693 46.245 48.541 1.00 20.33 ? ? ? ? ? ? 249 THR A CA 1 +ATOM 1890 C C . THR A 1 249 ? 102.815 47.182 48.098 1.00 20.93 ? ? ? ? ? ? 249 THR A C 1 +ATOM 1891 O O . THR A 1 249 ? 103.825 47.326 48.793 1.00 21.17 ? ? ? ? ? ? 249 THR A O 1 +ATOM 1892 C CB . THR A 1 249 ? 100.343 47.011 48.739 1.00 20.40 ? ? ? ? ? ? 249 THR A CB 1 +ATOM 1893 O OG1 . THR A 1 249 ? 100.553 48.261 49.409 1.00 19.53 ? ? ? ? ? ? 249 THR A OG1 1 +ATOM 1894 C CG2 . THR A 1 249 ? 99.361 46.158 49.538 1.00 18.82 ? ? ? ? ? ? 249 THR A CG2 1 +ATOM 1895 N N . GLU A 1 250 ? 102.663 47.738 46.892 1.00 21.60 ? ? ? ? ? ? 250 GLU A N 1 +ATOM 1896 C CA . GLU A 1 250 ? 103.628 48.664 46.275 1.00 20.86 ? ? ? ? ? ? 250 GLU A CA 1 +ATOM 1897 C C . GLU A 1 250 ? 102.791 49.759 45.592 1.00 21.38 ? ? ? ? ? ? 250 GLU A C 1 +ATOM 1898 O O . GLU A 1 250 ? 101.701 49.483 45.081 1.00 22.90 ? ? ? ? ? ? 250 GLU A O 1 +ATOM 1899 C CB . GLU A 1 250 ? 104.437 47.894 45.232 1.00 20.35 ? ? ? ? ? ? 250 GLU A CB 1 +ATOM 1900 C CG . GLU A 1 250 ? 105.579 48.609 44.569 1.00 21.64 ? ? ? ? ? ? 250 GLU A CG 1 +ATOM 1901 C CD . GLU A 1 250 ? 106.847 47.734 44.525 1.00 24.47 ? ? ? ? ? ? 250 GLU A CD 1 +ATOM 1902 O OE1 . GLU A 1 250 ? 106.754 46.554 44.129 1.00 24.53 ? ? ? ? ? ? 250 GLU A OE1 1 +ATOM 1903 O OE2 . GLU A 1 250 ? 107.941 48.211 44.915 1.00 25.92 ? ? ? ? ? ? 250 GLU A OE2 1 +ATOM 1904 N N . GLY A 1 251 ? 103.240 51.006 45.648 1.00 20.61 ? ? ? ? ? ? 251 GLY A N 1 +ATOM 1905 C CA . GLY A 1 251 ? 102.491 52.072 44.998 1.00 21.26 ? ? ? ? ? ? 251 GLY A CA 1 +ATOM 1906 C C . GLY A 1 251 ? 101.317 52.738 45.718 1.00 21.18 ? ? ? ? ? ? 251 GLY A C 1 +ATOM 1907 O O . GLY A 1 251 ? 100.477 53.385 45.083 1.00 20.30 ? ? ? ? ? ? 251 GLY A O 1 +ATOM 1908 N N . PHE A 1 252 ? 101.265 52.611 47.037 1.00 22.04 ? ? ? ? ? ? 252 PHE A N 1 +ATOM 1909 C CA . PHE A 1 252 ? 100.203 53.233 47.806 1.00 24.01 ? ? ? ? ? ? 252 PHE A CA 1 +ATOM 1910 C C . PHE A 1 252 ? 100.231 54.754 47.647 1.00 27.33 ? ? ? ? ? ? 252 PHE A C 1 +ATOM 1911 O O . PHE A 1 252 ? 99.256 55.349 47.192 1.00 29.40 ? ? ? ? ? ? 252 PHE A O 1 +ATOM 1912 C CB . PHE A 1 252 ? 100.333 52.873 49.284 1.00 22.43 ? ? ? ? ? ? 252 PHE A CB 1 +ATOM 1913 C CG . PHE A 1 252 ? 99.323 53.550 50.166 1.00 21.99 ? ? ? ? ? ? 252 PHE A CG 1 +ATOM 1914 C CD1 . PHE A 1 252 ? 97.969 53.258 50.045 1.00 21.93 ? ? ? ? ? ? 252 PHE A CD1 1 +ATOM 1915 C CD2 . PHE A 1 252 ? 99.727 54.474 51.128 1.00 23.55 ? ? ? ? ? ? 252 PHE A CD2 1 +ATOM 1916 C CE1 . PHE A 1 252 ? 97.021 53.867 50.869 1.00 23.19 ? ? ? ? ? ? 252 PHE A CE1 1 +ATOM 1917 C CE2 . PHE A 1 252 ? 98.789 55.097 51.966 1.00 24.79 ? ? ? ? ? ? 252 PHE A CE2 1 +ATOM 1918 C CZ . PHE A 1 252 ? 97.426 54.791 51.833 1.00 25.02 ? ? ? ? ? ? 252 PHE A CZ 1 +ATOM 1919 N N . GLU A 1 253 ? 101.352 55.380 48.002 1.00 28.84 ? ? ? ? ? ? 253 GLU A N 1 +ATOM 1920 C CA . GLU A 1 253 ? 101.476 56.828 47.914 1.00 30.78 ? ? ? ? ? ? 253 GLU A CA 1 +ATOM 1921 C C . GLU A 1 253 ? 100.919 57.441 46.636 1.00 31.46 ? ? ? ? ? ? 253 GLU A C 1 +ATOM 1922 O O . GLU A 1 253 ? 100.051 58.331 46.686 1.00 31.76 ? ? ? ? ? ? 253 GLU A O 1 +ATOM 1923 C CB . GLU A 1 253 ? 102.932 57.283 48.078 1.00 32.72 ? ? ? ? ? ? 253 GLU A CB 1 +ATOM 1924 C CG . GLU A 1 253 ? 103.610 56.861 49.379 1.00 37.76 ? ? ? ? ? ? 253 GLU A CG 1 +ATOM 1925 C CD . GLU A 1 253 ? 102.759 57.126 50.620 1.00 39.57 ? ? ? ? ? ? 253 GLU A CD 1 +ATOM 1926 O OE1 . GLU A 1 253 ? 102.169 58.224 50.735 1.00 39.71 ? ? ? ? ? ? 253 GLU A OE1 1 +ATOM 1927 O OE2 . GLU A 1 253 ? 102.690 56.225 51.487 1.00 41.03 ? ? ? ? ? ? 253 GLU A OE2 1 +ATOM 1928 N N . GLU A 1 254 ? 101.397 56.966 45.493 1.00 30.88 ? ? ? ? ? ? 254 GLU A N 1 +ATOM 1929 C CA . GLU A 1 254 ? 100.951 57.529 44.232 1.00 31.97 ? ? ? ? ? ? 254 GLU A CA 1 +ATOM 1930 C C . GLU A 1 254 ? 99.442 57.381 44.042 1.00 31.34 ? ? ? ? ? ? 254 GLU A C 1 +ATOM 1931 O O . GLU A 1 254 ? 98.796 58.247 43.441 1.00 31.01 ? ? ? ? ? ? 254 GLU A O 1 +ATOM 1932 C CB . GLU A 1 254 ? 101.779 56.974 43.054 1.00 34.67 ? ? ? ? ? ? 254 GLU A CB 1 +ATOM 1933 C CG . GLU A 1 254 ? 103.311 57.346 43.076 1.00 39.39 ? ? ? ? ? ? 254 GLU A CG 1 +ATOM 1934 C CD . GLU A 1 254 ? 103.638 58.849 42.722 1.00 43.39 ? ? ? ? ? ? 254 GLU A CD 1 +ATOM 1935 O OE1 . GLU A 1 254 ? 102.882 59.786 43.119 1.00 44.62 ? ? ? ? ? ? 254 GLU A OE1 1 +ATOM 1936 O OE2 . GLU A 1 254 ? 104.683 59.097 42.061 1.00 42.04 ? ? ? ? ? ? 254 GLU A OE2 1 +ATOM 1937 N N . TYR A 1 255 ? 98.874 56.329 44.627 1.00 31.44 ? ? ? ? ? ? 255 TYR A N 1 +ATOM 1938 C CA . TYR A 1 255 ? 97.434 56.070 44.549 1.00 31.14 ? ? ? ? ? ? 255 TYR A CA 1 +ATOM 1939 C C . TYR A 1 255 ? 96.728 57.047 45.473 1.00 32.01 ? ? ? ? ? ? 255 TYR A C 1 +ATOM 1940 O O . TYR A 1 255 ? 95.698 57.603 45.126 1.00 32.57 ? ? ? ? ? ? 255 TYR A O 1 +ATOM 1941 C CB . TYR A 1 255 ? 97.118 54.629 44.984 1.00 28.69 ? ? ? ? ? ? 255 TYR A CB 1 +ATOM 1942 C CG . TYR A 1 255 ? 95.638 54.310 45.124 1.00 27.03 ? ? ? ? ? ? 255 TYR A CG 1 +ATOM 1943 C CD1 . TYR A 1 255 ? 94.878 53.967 44.013 1.00 26.25 ? ? ? ? ? ? 255 TYR A CD1 1 +ATOM 1944 C CD2 . TYR A 1 255 ? 95.000 54.352 46.366 1.00 25.45 ? ? ? ? ? ? 255 TYR A CD2 1 +ATOM 1945 C CE1 . TYR A 1 255 ? 93.531 53.679 44.129 1.00 25.30 ? ? ? ? ? ? 255 TYR A CE1 1 +ATOM 1946 C CE2 . TYR A 1 255 ? 93.640 54.064 46.490 1.00 24.47 ? ? ? ? ? ? 255 TYR A CE2 1 +ATOM 1947 C CZ . TYR A 1 255 ? 92.911 53.731 45.364 1.00 24.89 ? ? ? ? ? ? 255 TYR A CZ 1 +ATOM 1948 O OH . TYR A 1 255 ? 91.559 53.457 45.438 1.00 25.02 ? ? ? ? ? ? 255 TYR A OH 1 +ATOM 1949 N N . ARG A 1 256 ? 97.312 57.252 46.647 1.00 34.04 ? ? ? ? ? ? 256 ARG A N 1 +ATOM 1950 C CA . ARG A 1 256 ? 96.789 58.153 47.672 1.00 35.46 ? ? ? ? ? ? 256 ARG A CA 1 +ATOM 1951 C C . ARG A 1 256 ? 96.515 59.531 47.057 1.00 35.71 ? ? ? ? ? ? 256 ARG A C 1 +ATOM 1952 O O . ARG A 1 256 ? 95.433 60.106 47.255 1.00 35.85 ? ? ? ? ? ? 256 ARG A O 1 +ATOM 1953 C CB . ARG A 1 256 ? 97.820 58.252 48.803 1.00 37.76 ? ? ? ? ? ? 256 ARG A CB 1 +ATOM 1954 C CG . ARG A 1 256 ? 97.385 58.948 50.077 1.00 40.57 ? ? ? ? ? ? 256 ARG A CG 1 +ATOM 1955 C CD . ARG A 1 256 ? 98.579 59.124 51.051 1.00 43.97 ? ? ? ? ? ? 256 ARG A CD 1 +ATOM 1956 N NE . ARG A 1 256 ? 99.422 60.303 50.781 1.00 46.83 ? ? ? ? ? ? 256 ARG A NE 1 +ATOM 1957 C CZ . ARG A 1 256 ? 100.371 60.386 49.842 1.00 47.79 ? ? ? ? ? ? 256 ARG A CZ 1 +ATOM 1958 N NH1 . ARG A 1 256 ? 100.628 59.361 49.042 1.00 46.84 ? ? ? ? ? ? 256 ARG A NH1 1 +ATOM 1959 N NH2 . ARG A 1 256 ? 101.089 61.498 49.715 1.00 47.58 ? ? ? ? ? ? 256 ARG A NH2 1 +ATOM 1960 N N . LYS A 1 257 ? 97.470 60.024 46.262 1.00 35.48 ? ? ? ? ? ? 257 LYS A N 1 +ATOM 1961 C CA . LYS A 1 257 ? 97.340 61.324 45.602 1.00 34.33 ? ? ? ? ? ? 257 LYS A CA 1 +ATOM 1962 C C . LYS A 1 257 ? 96.086 61.468 44.744 1.00 34.36 ? ? ? ? ? ? 257 LYS A C 1 +ATOM 1963 O O . LYS A 1 257 ? 95.316 62.419 44.930 1.00 35.57 ? ? ? ? ? ? 257 LYS A O 1 +ATOM 1964 C CB . LYS A 1 257 ? 98.549 61.623 44.719 1.00 33.54 ? ? ? ? ? ? 257 LYS A CB 1 +ATOM 1965 C CG . LYS A 1 257 ? 99.720 62.264 45.419 1.00 35.18 ? ? ? ? ? ? 257 LYS A CG 1 +ATOM 1966 C CD . LYS A 1 257 ? 100.578 61.249 46.172 1.00 37.36 ? ? ? ? ? ? 257 LYS A CD 1 +ATOM 1967 C CE . LYS A 1 257 ? 101.945 61.835 46.543 1.00 36.56 ? ? ? ? ? ? 257 LYS A CE 1 +ATOM 1968 N NZ . LYS A 1 257 ? 102.704 60.935 47.446 1.00 36.67 ? ? ? ? ? ? 257 LYS A NZ 1 +ATOM 1969 N N . ILE A 1 258 ? 95.872 60.534 43.815 1.00 32.58 ? ? ? ? ? ? 258 ILE A N 1 +ATOM 1970 C CA . ILE A 1 258 ? 94.719 60.623 42.920 1.00 31.23 ? ? ? ? ? ? 258 ILE A CA 1 +ATOM 1971 C C . ILE A 1 258 ? 93.363 60.492 43.598 1.00 30.54 ? ? ? ? ? ? 258 ILE A C 1 +ATOM 1972 O O . ILE A 1 258 ? 92.355 60.953 43.060 1.00 30.22 ? ? ? ? ? ? 258 ILE A O 1 +ATOM 1973 C CB . ILE A 1 258 ? 94.782 59.628 41.747 1.00 30.58 ? ? ? ? ? ? 258 ILE A CB 1 +ATOM 1974 C CG1 . ILE A 1 258 ? 96.188 59.553 41.193 1.00 30.04 ? ? ? ? ? ? 258 ILE A CG1 1 +ATOM 1975 C CG2 . ILE A 1 258 ? 93.929 60.138 40.602 1.00 30.09 ? ? ? ? ? ? 258 ILE A CG2 1 +ATOM 1976 C CD1 . ILE A 1 258 ? 96.269 58.733 39.941 1.00 32.91 ? ? ? ? ? ? 258 ILE A CD1 1 +ATOM 1977 N N . VAL A 1 259 ? 93.311 59.859 44.761 1.00 29.41 ? ? ? ? ? ? 259 VAL A N 1 +ATOM 1978 C CA . VAL A 1 259 ? 92.026 59.739 45.427 1.00 29.68 ? ? ? ? ? ? 259 VAL A CA 1 +ATOM 1979 C C . VAL A 1 259 ? 91.748 60.950 46.324 1.00 31.11 ? ? ? ? ? ? 259 VAL A C 1 +ATOM 1980 O O . VAL A 1 259 ? 90.586 61.338 46.538 1.00 30.19 ? ? ? ? ? ? 259 VAL A O 1 +ATOM 1981 C CB . VAL A 1 259 ? 91.856 58.389 46.182 1.00 26.70 ? ? ? ? ? ? 259 VAL A CB 1 +ATOM 1982 C CG1 . VAL A 1 259 ? 92.051 57.233 45.221 1.00 25.24 ? ? ? ? ? ? 259 VAL A CG1 1 +ATOM 1983 C CG2 . VAL A 1 259 ? 92.787 58.293 47.359 1.00 26.32 ? ? ? ? ? ? 259 VAL A CG2 1 +ATOM 1984 N N . GLU A 1 260 ? 92.817 61.593 46.793 1.00 32.73 ? ? ? ? ? ? 260 GLU A N 1 +ATOM 1985 C CA . GLU A 1 260 ? 92.673 62.761 47.668 1.00 33.37 ? ? ? ? ? ? 260 GLU A CA 1 +ATOM 1986 C C . GLU A 1 260 ? 91.786 63.765 46.962 1.00 32.00 ? ? ? ? ? ? 260 GLU A C 1 +ATOM 1987 O O . GLU A 1 260 ? 90.930 64.399 47.568 1.00 31.96 ? ? ? ? ? ? 260 GLU A O 1 +ATOM 1988 C CB . GLU A 1 260 ? 94.036 63.403 47.985 1.00 34.54 ? ? ? ? ? ? 260 GLU A CB 1 +ATOM 1989 C CG . GLU A 1 260 ? 93.990 64.230 49.274 1.00 37.56 ? ? ? ? ? ? 260 GLU A CG 1 +ATOM 1990 C CD . GLU A 1 260 ? 95.188 65.134 49.500 1.00 38.60 ? ? ? ? ? ? 260 GLU A CD 1 +ATOM 1991 O OE1 . GLU A 1 260 ? 96.134 65.120 48.684 1.00 40.54 ? ? ? ? ? ? 260 GLU A OE1 1 +ATOM 1992 O OE2 . GLU A 1 260 ? 95.170 65.870 50.507 1.00 38.75 ? ? ? ? ? ? 260 GLU A OE2 1 +ATOM 1993 N N . GLY A 1 261 ? 91.973 63.847 45.653 1.00 31.76 ? ? ? ? ? ? 261 GLY A N 1 +ATOM 1994 C CA . GLY A 1 261 ? 91.199 64.753 44.841 1.00 30.78 ? ? ? ? ? ? 261 GLY A CA 1 +ATOM 1995 C C . GLY A 1 261 ? 89.765 64.311 44.815 1.00 30.13 ? ? ? ? ? ? 261 GLY A C 1 +ATOM 1996 O O . GLY A 1 261 ? 88.895 65.041 45.262 1.00 31.91 ? ? ? ? ? ? 261 GLY A O 1 +ATOM 1997 N N . TYR A 1 262 ? 89.530 63.086 44.365 1.00 29.66 ? ? ? ? ? ? 262 TYR A N 1 +ATOM 1998 C CA . TYR A 1 262 ? 88.181 62.540 44.260 1.00 28.86 ? ? ? ? ? ? 262 TYR A CA 1 +ATOM 1999 C C . TYR A 1 262 ? 87.413 62.380 45.566 1.00 28.71 ? ? ? ? ? ? 262 TYR A C 1 +ATOM 2000 O O . TYR A 1 262 ? 87.249 61.273 46.062 1.00 30.30 ? ? ? ? ? ? 262 TYR A O 1 +ATOM 2001 C CB . TYR A 1 262 ? 88.212 61.203 43.531 1.00 27.27 ? ? ? ? ? ? 262 TYR A CB 1 +ATOM 2002 C CG . TYR A 1 262 ? 88.567 61.298 42.080 1.00 25.10 ? ? ? ? ? ? 262 TYR A CG 1 +ATOM 2003 C CD1 . TYR A 1 262 ? 89.870 61.557 41.677 1.00 25.01 ? ? ? ? ? ? 262 TYR A CD1 1 +ATOM 2004 C CD2 . TYR A 1 262 ? 87.608 61.073 41.103 1.00 23.85 ? ? ? ? ? ? 262 TYR A CD2 1 +ATOM 2005 C CE1 . TYR A 1 262 ? 90.215 61.580 40.320 1.00 25.67 ? ? ? ? ? ? 262 TYR A CE1 1 +ATOM 2006 C CE2 . TYR A 1 262 ? 87.935 61.096 39.752 1.00 23.68 ? ? ? ? ? ? 262 TYR A CE2 1 +ATOM 2007 C CZ . TYR A 1 262 ? 89.238 61.346 39.365 1.00 24.59 ? ? ? ? ? ? 262 TYR A CZ 1 +ATOM 2008 O OH . TYR A 1 262 ? 89.553 61.359 38.028 1.00 24.63 ? ? ? ? ? ? 262 TYR A OH 1 +ATOM 2009 N N . THR A 1 263 ? 86.934 63.485 46.113 1.00 28.84 ? ? ? ? ? ? 263 THR A N 1 +ATOM 2010 C CA . THR A 1 263 ? 86.154 63.466 47.342 1.00 29.42 ? ? ? ? ? ? 263 THR A CA 1 +ATOM 2011 C C . THR A 1 263 ? 84.729 63.016 46.971 1.00 29.53 ? ? ? ? ? ? 263 THR A C 1 +ATOM 2012 O O . THR A 1 263 ? 84.268 63.235 45.857 1.00 30.12 ? ? ? ? ? ? 263 THR A O 1 +ATOM 2013 C CB . THR A 1 263 ? 86.120 64.881 47.974 1.00 30.09 ? ? ? ? ? ? 263 THR A CB 1 +ATOM 2014 O OG1 . THR A 1 263 ? 85.338 65.765 47.158 1.00 32.06 ? ? ? ? ? ? 263 THR A OG1 1 +ATOM 2015 C CG2 . THR A 1 263 ? 87.524 65.452 48.050 1.00 29.74 ? ? ? ? ? ? 263 THR A CG2 1 +ATOM 2016 N N . PRO A 1 264 ? 84.001 62.413 47.905 1.00 29.77 ? ? ? ? ? ? 264 PRO A N 1 +ATOM 2017 C CA . PRO A 1 264 ? 82.640 61.967 47.594 1.00 30.60 ? ? ? ? ? ? 264 PRO A CA 1 +ATOM 2018 C C . PRO A 1 264 ? 81.844 63.050 46.875 1.00 30.50 ? ? ? ? ? ? 264 PRO A C 1 +ATOM 2019 O O . PRO A 1 264 ? 81.187 62.807 45.858 1.00 30.19 ? ? ? ? ? ? 264 PRO A O 1 +ATOM 2020 C CB . PRO A 1 264 ? 82.056 61.692 48.982 1.00 31.50 ? ? ? ? ? ? 264 PRO A CB 1 +ATOM 2021 C CG . PRO A 1 264 ? 83.243 61.207 49.743 1.00 32.40 ? ? ? ? ? ? 264 PRO A CG 1 +ATOM 2022 C CD . PRO A 1 264 ? 84.327 62.177 49.321 1.00 31.36 ? ? ? ? ? ? 264 PRO A CD 1 +ATOM 2023 N N . GLU A 1 265 ? 81.973 64.269 47.383 1.00 31.18 ? ? ? ? ? ? 265 GLU A N 1 +ATOM 2024 C CA . GLU A 1 265 ? 81.272 65.414 46.838 1.00 30.39 ? ? ? ? ? ? 265 GLU A CA 1 +ATOM 2025 C C . GLU A 1 265 ? 81.618 65.756 45.402 1.00 30.72 ? ? ? ? ? ? 265 GLU A C 1 +ATOM 2026 O O . GLU A 1 265 ? 80.722 65.978 44.604 1.00 31.30 ? ? ? ? ? ? 265 GLU A O 1 +ATOM 2027 C CB . GLU A 1 265 ? 81.467 66.618 47.734 1.00 29.48 ? ? ? ? ? ? 265 GLU A CB 1 +ATOM 2028 C CG . GLU A 1 265 ? 80.746 66.506 49.066 1.00 31.87 ? ? ? ? ? ? 265 GLU A CG 1 +ATOM 2029 C CD . GLU A 1 265 ? 81.424 65.572 50.078 1.00 33.16 ? ? ? ? ? ? 265 GLU A CD 1 +ATOM 2030 O OE1 . GLU A 1 265 ? 82.662 65.362 50.001 1.00 33.76 ? ? ? ? ? ? 265 GLU A OE1 1 +ATOM 2031 O OE2 . GLU A 1 265 ? 80.707 65.082 50.978 1.00 31.66 ? ? ? ? ? ? 265 GLU A OE2 1 +ATOM 2032 N N . SER A 1 266 ? 82.899 65.753 45.050 1.00 31.04 ? ? ? ? ? ? 266 SER A N 1 +ATOM 2033 C CA . SER A 1 266 ? 83.286 66.085 43.687 1.00 32.28 ? ? ? ? ? ? 266 SER A CA 1 +ATOM 2034 C C . SER A 1 266 ? 82.741 65.072 42.694 1.00 35.11 ? ? ? ? ? ? 266 SER A C 1 +ATOM 2035 O O . SER A 1 266 ? 82.713 65.327 41.484 1.00 36.35 ? ? ? ? ? ? 266 SER A O 1 +ATOM 2036 C CB . SER A 1 266 ? 84.806 66.181 43.558 1.00 31.48 ? ? ? ? ? ? 266 SER A CB 1 +ATOM 2037 O OG . SER A 1 266 ? 85.429 64.939 43.811 1.00 31.01 ? ? ? ? ? ? 266 SER A OG 1 +ATOM 2038 N N . VAL A 1 267 ? 82.244 63.948 43.210 1.00 37.47 ? ? ? ? ? ? 267 VAL A N 1 +ATOM 2039 C CA . VAL A 1 267 ? 81.716 62.889 42.357 1.00 38.58 ? ? ? ? ? ? 267 VAL A CA 1 +ATOM 2040 C C . VAL A 1 267 ? 80.198 62.918 42.146 1.00 38.70 ? ? ? ? ? ? 267 VAL A C 1 +ATOM 2041 O O . VAL A 1 267 ? 79.718 62.525 41.083 1.00 39.17 ? ? ? ? ? ? 267 VAL A O 1 +ATOM 2042 C CB . VAL A 1 267 ? 82.161 61.521 42.868 1.00 38.77 ? ? ? ? ? ? 267 VAL A CB 1 +ATOM 2043 C CG1 . VAL A 1 267 ? 82.100 60.525 41.763 1.00 40.07 ? ? ? ? ? ? 267 VAL A CG1 1 +ATOM 2044 C CG2 . VAL A 1 267 ? 83.580 61.598 43.368 1.00 40.39 ? ? ? ? ? ? 267 VAL A CG2 1 +ATOM 2045 N N . GLU A 1 268 ? 79.461 63.369 43.157 1.00 39.67 ? ? ? ? ? ? 268 GLU A N 1 +ATOM 2046 C CA . GLU A 1 268 ? 77.990 63.498 43.136 1.00 41.45 ? ? ? ? ? ? 268 GLU A CA 1 +ATOM 2047 C C . GLU A 1 268 ? 77.291 63.457 41.762 1.00 41.81 ? ? ? ? ? ? 268 GLU A C 1 +ATOM 2048 O O . GLU A 1 268 ? 76.488 62.582 41.481 1.00 42.19 ? ? ? ? ? ? 268 GLU A O 1 +ATOM 2049 C CB . GLU A 1 268 ? 77.591 64.827 43.795 1.00 42.23 ? ? ? ? ? ? 268 GLU A CB 1 +ATOM 2050 C CG . GLU A 1 268 ? 76.517 64.744 44.844 1.00 42.30 ? ? ? ? ? ? 268 GLU A CG 1 +ATOM 2051 C CD . GLU A 1 268 ? 77.087 64.574 46.227 1.00 43.21 ? ? ? ? ? ? 268 GLU A CD 1 +ATOM 2052 O OE1 . GLU A 1 268 ? 78.196 64.012 46.325 1.00 45.70 ? ? ? ? ? ? 268 GLU A OE1 1 +ATOM 2053 O OE2 . GLU A 1 268 ? 76.433 64.986 47.216 1.00 42.88 ? ? ? ? ? ? 268 GLU A OE2 1 +ATOM 2054 N N . ASP A 1 269 ? 77.590 64.432 40.917 1.00 42.25 ? ? ? ? ? ? 269 ASP A N 1 +ATOM 2055 C CA . ASP A 1 269 ? 76.959 64.527 39.610 1.00 42.45 ? ? ? ? ? ? 269 ASP A CA 1 +ATOM 2056 C C . ASP A 1 269 ? 77.390 63.497 38.568 1.00 41.95 ? ? ? ? ? ? 269 ASP A C 1 +ATOM 2057 O O . ASP A 1 269 ? 76.545 62.989 37.830 1.00 42.81 ? ? ? ? ? ? 269 ASP A O 1 +ATOM 2058 C CB . ASP A 1 269 ? 77.090 65.959 39.064 1.00 42.81 ? ? ? ? ? ? 269 ASP A CB 1 +ATOM 2059 C CG . ASP A 1 269 ? 76.425 66.993 39.975 1.00 44.37 ? ? ? ? ? ? 269 ASP A CG 1 +ATOM 2060 O OD1 . ASP A 1 269 ? 75.750 66.592 40.962 1.00 43.52 ? ? ? ? ? ? 269 ASP A OD1 1 +ATOM 2061 O OD2 . ASP A 1 269 ? 76.582 68.210 39.709 1.00 44.90 ? ? ? ? ? ? 269 ASP A OD2 1 +ATOM 2062 N N . ILE A 1 270 ? 78.689 63.207 38.475 1.00 40.35 ? ? ? ? ? ? 270 ILE A N 1 +ATOM 2063 C CA . ILE A 1 270 ? 79.158 62.231 37.495 1.00 38.06 ? ? ? ? ? ? 270 ILE A CA 1 +ATOM 2064 C C . ILE A 1 270 ? 78.607 60.855 37.838 1.00 37.00 ? ? ? ? ? ? 270 ILE A C 1 +ATOM 2065 O O . ILE A 1 270 ? 78.029 60.194 36.986 1.00 36.99 ? ? ? ? ? ? 270 ILE A O 1 +ATOM 2066 C CB . ILE A 1 270 ? 80.713 62.183 37.388 1.00 38.21 ? ? ? ? ? ? 270 ILE A CB 1 +ATOM 2067 C CG1 . ILE A 1 270 ? 81.237 63.416 36.641 1.00 37.43 ? ? ? ? ? ? 270 ILE A CG1 1 +ATOM 2068 C CG2 . ILE A 1 270 ? 81.171 60.913 36.656 1.00 37.71 ? ? ? ? ? ? 270 ILE A CG2 1 +ATOM 2069 C CD1 . ILE A 1 270 ? 82.738 63.364 36.333 1.00 35.11 ? ? ? ? ? ? 270 ILE A CD1 1 +ATOM 2070 N N . THR A 1 271 ? 78.770 60.427 39.083 1.00 35.63 ? ? ? ? ? ? 271 THR A N 1 +ATOM 2071 C CA . THR A 1 271 ? 78.255 59.119 39.465 1.00 35.37 ? ? ? ? ? ? 271 THR A CA 1 +ATOM 2072 C C . THR A 1 271 ? 76.752 59.106 39.573 1.00 33.56 ? ? ? ? ? ? 271 THR A C 1 +ATOM 2073 O O . THR A 1 271 ? 76.132 58.072 39.432 1.00 33.09 ? ? ? ? ? ? 271 THR A O 1 +ATOM 2074 C CB . THR A 1 271 ? 78.810 58.591 40.841 1.00 36.74 ? ? ? ? ? ? 271 THR A CB 1 +ATOM 2075 O OG1 . THR A 1 271 ? 78.607 59.551 41.896 1.00 35.56 ? ? ? ? ? ? 271 THR A OG1 1 +ATOM 2076 C CG2 . THR A 1 271 ? 80.266 58.216 40.723 1.00 37.11 ? ? ? ? ? ? 271 THR A CG2 1 +ATOM 2077 N N . GLY A 1 272 ? 76.169 60.255 39.856 1.00 33.25 ? ? ? ? ? ? 272 GLY A N 1 +ATOM 2078 C CA . GLY A 1 272 ? 74.737 60.302 40.049 1.00 32.70 ? ? ? ? ? ? 272 GLY A CA 1 +ATOM 2079 C C . GLY A 1 272 ? 74.438 59.657 41.401 1.00 32.40 ? ? ? ? ? ? 272 GLY A C 1 +ATOM 2080 O O . GLY A 1 272 ? 73.296 59.277 41.678 1.00 33.89 ? ? ? ? ? ? 272 GLY A O 1 +ATOM 2081 N N . VAL A 1 273 ? 75.465 59.498 42.234 1.00 30.22 ? ? ? ? ? ? 273 VAL A N 1 +ATOM 2082 C CA . VAL A 1 273 ? 75.289 58.910 43.558 1.00 30.57 ? ? ? ? ? ? 273 VAL A CA 1 +ATOM 2083 C C . VAL A 1 273 ? 75.691 59.957 44.600 1.00 31.12 ? ? ? ? ? ? 273 VAL A C 1 +ATOM 2084 O O . VAL A 1 273 ? 76.596 60.768 44.370 1.00 32.90 ? ? ? ? ? ? 273 VAL A O 1 +ATOM 2085 C CB . VAL A 1 273 ? 76.118 57.603 43.733 1.00 29.83 ? ? ? ? ? ? 273 VAL A CB 1 +ATOM 2086 C CG1 . VAL A 1 273 ? 75.880 57.001 45.104 1.00 28.06 ? ? ? ? ? ? 273 VAL A CG1 1 +ATOM 2087 C CG2 . VAL A 1 273 ? 75.735 56.592 42.661 1.00 29.69 ? ? ? ? ? ? 273 VAL A CG2 1 +ATOM 2088 N N . SER A 1 274 ? 75.028 59.947 45.748 1.00 30.47 ? ? ? ? ? ? 274 SER A N 1 +ATOM 2089 C CA . SER A 1 274 ? 75.314 60.937 46.772 1.00 30.10 ? ? ? ? ? ? 274 SER A CA 1 +ATOM 2090 C C . SER A 1 274 ? 76.518 60.617 47.628 1.00 30.14 ? ? ? ? ? ? 274 SER A C 1 +ATOM 2091 O O . SER A 1 274 ? 76.686 59.487 48.089 1.00 30.51 ? ? ? ? ? ? 274 SER A O 1 +ATOM 2092 C CB . SER A 1 274 ? 74.103 61.136 47.664 1.00 29.51 ? ? ? ? ? ? 274 SER A CB 1 +ATOM 2093 O OG . SER A 1 274 ? 73.823 59.941 48.357 1.00 31.37 ? ? ? ? ? ? 274 SER A OG 1 +ATOM 2094 N N . ALA A 1 275 ? 77.281 61.661 47.932 1.00 29.98 ? ? ? ? ? ? 275 ALA A N 1 +ATOM 2095 C CA . ALA A 1 275 ? 78.479 61.558 48.747 1.00 29.88 ? ? ? ? ? ? 275 ALA A CA 1 +ATOM 2096 C C . ALA A 1 275 ? 78.306 60.608 49.922 1.00 30.09 ? ? ? ? ? ? 275 ALA A C 1 +ATOM 2097 O O . ALA A 1 275 ? 79.223 59.850 50.249 1.00 30.90 ? ? ? ? ? ? 275 ALA A O 1 +ATOM 2098 C CB . ALA A 1 275 ? 78.891 62.926 49.230 1.00 28.95 ? ? ? ? ? ? 275 ALA A CB 1 +ATOM 2099 N N . SER A 1 276 ? 77.114 60.610 50.510 1.00 31.04 ? ? ? ? ? ? 276 SER A N 1 +ATOM 2100 C CA . SER A 1 276 ? 76.809 59.748 51.651 1.00 32.49 ? ? ? ? ? ? 276 SER A CA 1 +ATOM 2101 C C . SER A 1 276 ? 76.906 58.280 51.301 1.00 31.65 ? ? ? ? ? ? 276 SER A C 1 +ATOM 2102 O O . SER A 1 276 ? 77.662 57.545 51.938 1.00 31.71 ? ? ? ? ? ? 276 SER A O 1 +ATOM 2103 C CB . SER A 1 276 ? 75.415 60.033 52.220 1.00 33.99 ? ? ? ? ? ? 276 SER A CB 1 +ATOM 2104 O OG . SER A 1 276 ? 74.396 59.788 51.261 1.00 37.95 ? ? ? ? ? ? 276 SER A OG 1 +ATOM 2105 N N . GLU A 1 277 ? 76.128 57.849 50.312 1.00 31.20 ? ? ? ? ? ? 277 GLU A N 1 +ATOM 2106 C CA . GLU A 1 277 ? 76.153 56.453 49.894 1.00 31.58 ? ? ? ? ? ? 277 GLU A CA 1 +ATOM 2107 C C . GLU A 1 277 ? 77.605 56.042 49.666 1.00 30.71 ? ? ? ? ? ? 277 GLU A C 1 +ATOM 2108 O O . GLU A 1 277 ? 78.050 55.033 50.209 1.00 29.68 ? ? ? ? ? ? 277 GLU A O 1 +ATOM 2109 C CB . GLU A 1 277 ? 75.385 56.248 48.596 1.00 32.84 ? ? ? ? ? ? 277 GLU A CB 1 +ATOM 2110 C CG . GLU A 1 277 ? 73.907 56.461 48.659 1.00 34.26 ? ? ? ? ? ? 277 GLU A CG 1 +ATOM 2111 C CD . GLU A 1 277 ? 73.261 56.248 47.288 1.00 37.49 ? ? ? ? ? ? 277 GLU A CD 1 +ATOM 2112 O OE1 . GLU A 1 277 ? 73.231 55.080 46.810 1.00 38.46 ? ? ? ? ? ? 277 GLU A OE1 1 +ATOM 2113 O OE2 . GLU A 1 277 ? 72.816 57.253 46.676 1.00 37.08 ? ? ? ? ? ? 277 GLU A OE2 1 +ATOM 2114 N N . ILE A 1 278 ? 78.341 56.852 48.895 1.00 30.64 ? ? ? ? ? ? 278 ILE A N 1 +ATOM 2115 C CA . ILE A 1 278 ? 79.753 56.591 48.592 1.00 29.88 ? ? ? ? ? ? 278 ILE A CA 1 +ATOM 2116 C C . ILE A 1 278 ? 80.537 56.335 49.869 1.00 30.86 ? ? ? ? ? ? 278 ILE A C 1 +ATOM 2117 O O . ILE A 1 278 ? 81.337 55.390 49.923 1.00 29.10 ? ? ? ? ? ? 278 ILE A O 1 +ATOM 2118 C CB . ILE A 1 278 ? 80.413 57.750 47.833 1.00 28.18 ? ? ? ? ? ? 278 ILE A CB 1 +ATOM 2119 C CG1 . ILE A 1 278 ? 79.770 57.924 46.457 1.00 26.99 ? ? ? ? ? ? 278 ILE A CG1 1 +ATOM 2120 C CG2 . ILE A 1 278 ? 81.878 57.473 47.652 1.00 28.65 ? ? ? ? ? ? 278 ILE A CG2 1 +ATOM 2121 C CD1 . ILE A 1 278 ? 80.482 58.936 45.571 1.00 24.25 ? ? ? ? ? ? 278 ILE A CD1 1 +ATOM 2122 N N . ARG A 1 279 ? 80.261 57.154 50.892 1.00 32.68 ? ? ? ? ? ? 279 ARG A N 1 +ATOM 2123 C CA . ARG A 1 279 ? 80.890 57.047 52.217 1.00 34.97 ? ? ? ? ? ? 279 ARG A CA 1 +ATOM 2124 C C . ARG A 1 279 ? 80.475 55.775 52.952 1.00 35.56 ? ? ? ? ? ? 279 ARG A C 1 +ATOM 2125 O O . ARG A 1 279 ? 81.306 55.061 53.495 1.00 35.85 ? ? ? ? ? ? 279 ARG A O 1 +ATOM 2126 C CB . ARG A 1 279 ? 80.492 58.221 53.106 1.00 36.29 ? ? ? ? ? ? 279 ARG A CB 1 +ATOM 2127 C CG . ARG A 1 279 ? 81.235 59.513 52.883 1.00 38.75 ? ? ? ? ? ? 279 ARG A CG 1 +ATOM 2128 C CD . ARG A 1 279 ? 80.846 60.498 53.980 1.00 40.34 ? ? ? ? ? ? 279 ARG A CD 1 +ATOM 2129 N NE . ARG A 1 279 ? 80.904 61.886 53.530 1.00 43.42 ? ? ? ? ? ? 279 ARG A NE 1 +ATOM 2130 C CZ . ARG A 1 279 ? 81.989 62.470 53.023 1.00 44.95 ? ? ? ? ? ? 279 ARG A CZ 1 +ATOM 2131 N NH1 . ARG A 1 279 ? 83.131 61.798 52.887 1.00 44.52 ? ? ? ? ? ? 279 ARG A NH1 1 +ATOM 2132 N NH2 . ARG A 1 279 ? 81.935 63.744 52.665 1.00 45.91 ? ? ? ? ? ? 279 ARG A NH2 1 +ATOM 2133 N N . GLN A 1 280 ? 79.174 55.545 53.019 1.00 35.55 ? ? ? ? ? ? 280 GLN A N 1 +ATOM 2134 C CA . GLN A 1 280 ? 78.612 54.384 53.676 1.00 36.40 ? ? ? ? ? ? 280 GLN A CA 1 +ATOM 2135 C C . GLN A 1 280 ? 79.005 53.079 52.989 1.00 35.83 ? ? ? ? ? ? 280 GLN A C 1 +ATOM 2136 O O . GLN A 1 280 ? 79.072 52.033 53.636 1.00 36.39 ? ? ? ? ? ? 280 GLN A O 1 +ATOM 2137 C CB . GLN A 1 280 ? 77.087 54.521 53.699 1.00 39.76 ? ? ? ? ? ? 280 GLN A CB 1 +ATOM 2138 C CG . GLN A 1 280 ? 76.316 53.244 54.046 1.00 43.24 ? ? ? ? ? ? 280 GLN A CG 1 +ATOM 2139 C CD . GLN A 1 280 ? 74.808 53.434 54.002 1.00 44.86 ? ? ? ? ? ? 280 GLN A CD 1 +ATOM 2140 O OE1 . GLN A 1 280 ? 74.051 52.461 54.050 1.00 46.34 ? ? ? ? ? ? 280 GLN A OE1 1 +ATOM 2141 N NE2 . GLN A 1 280 ? 74.360 54.691 53.912 1.00 45.69 ? ? ? ? ? ? 280 GLN A NE2 1 +ATOM 2142 N N . ALA A 1 281 ? 79.249 53.135 51.682 1.00 34.63 ? ? ? ? ? ? 281 ALA A N 1 +ATOM 2143 C CA . ALA A 1 281 ? 79.616 51.943 50.915 1.00 32.95 ? ? ? ? ? ? 281 ALA A CA 1 +ATOM 2144 C C . ALA A 1 281 ? 81.079 51.595 51.144 1.00 31.72 ? ? ? ? ? ? 281 ALA A C 1 +ATOM 2145 O O . ALA A 1 281 ? 81.417 50.446 51.418 1.00 31.23 ? ? ? ? ? ? 281 ALA A O 1 +ATOM 2146 C CB . ALA A 1 281 ? 79.352 52.158 49.429 1.00 31.76 ? ? ? ? ? ? 281 ALA A CB 1 +ATOM 2147 N N . ALA A 1 282 ? 81.944 52.600 51.027 1.00 30.93 ? ? ? ? ? ? 282 ALA A N 1 +ATOM 2148 C CA . ALA A 1 282 ? 83.374 52.406 51.223 1.00 28.58 ? ? ? ? ? ? 282 ALA A CA 1 +ATOM 2149 C C . ALA A 1 282 ? 83.553 51.988 52.668 1.00 27.02 ? ? ? ? ? ? 282 ALA A C 1 +ATOM 2150 O O . ALA A 1 282 ? 84.248 51.020 52.961 1.00 26.90 ? ? ? ? ? ? 282 ALA A O 1 +ATOM 2151 C CB . ALA A 1 282 ? 84.124 53.694 50.928 1.00 28.75 ? ? ? ? ? ? 282 ALA A CB 1 +ATOM 2152 N N . ARG A 1 283 ? 82.864 52.696 53.556 1.00 25.79 ? ? ? ? ? ? 283 ARG A N 1 +ATOM 2153 C CA . ARG A 1 283 ? 82.887 52.415 54.984 1.00 25.16 ? ? ? ? ? ? 283 ARG A CA 1 +ATOM 2154 C C . ARG A 1 283 ? 82.455 50.972 55.216 1.00 24.74 ? ? ? ? ? ? 283 ARG A C 1 +ATOM 2155 O O . ARG A 1 283 ? 83.076 50.246 55.989 1.00 25.32 ? ? ? ? ? ? 283 ARG A O 1 +ATOM 2156 C CB . ARG A 1 283 ? 81.892 53.314 55.723 1.00 25.91 ? ? ? ? ? ? 283 ARG A CB 1 +ATOM 2157 C CG . ARG A 1 283 ? 82.345 54.715 56.075 1.00 26.93 ? ? ? ? ? ? 283 ARG A CG 1 +ATOM 2158 C CD . ARG A 1 283 ? 81.704 55.062 57.406 1.00 30.14 ? ? ? ? ? ? 283 ARG A CD 1 +ATOM 2159 N NE . ARG A 1 283 ? 81.870 56.442 57.831 1.00 31.57 ? ? ? ? ? ? 283 ARG A NE 1 +ATOM 2160 C CZ . ARG A 1 283 ? 81.368 57.487 57.187 1.00 34.22 ? ? ? ? ? ? 283 ARG A CZ 1 +ATOM 2161 N NH1 . ARG A 1 283 ? 80.676 57.324 56.068 1.00 34.70 ? ? ? ? ? ? 283 ARG A NH1 1 +ATOM 2162 N NH2 . ARG A 1 283 ? 81.506 58.700 57.705 1.00 36.45 ? ? ? ? ? ? 283 ARG A NH2 1 +ATOM 2163 N N . MET A 1 284 ? 81.375 50.571 54.556 1.00 23.43 ? ? ? ? ? ? 284 MET A N 1 +ATOM 2164 C CA . MET A 1 284 ? 80.860 49.226 54.707 1.00 23.90 ? ? ? ? ? ? 284 MET A CA 1 +ATOM 2165 C C . MET A 1 284 ? 81.887 48.202 54.236 1.00 23.90 ? ? ? ? ? ? 284 MET A C 1 +ATOM 2166 O O . MET A 1 284 ? 82.337 47.371 55.025 1.00 25.22 ? ? ? ? ? ? 284 MET A O 1 +ATOM 2167 C CB . MET A 1 284 ? 79.520 49.048 53.955 1.00 24.99 ? ? ? ? ? ? 284 MET A CB 1 +ATOM 2168 C CG . MET A 1 284 ? 78.466 48.217 54.733 1.00 27.34 ? ? ? ? ? ? 284 MET A CG 1 +ATOM 2169 S SD . MET A 1 284 ? 76.968 47.679 53.840 1.00 28.58 ? ? ? ? ? ? 284 MET A SD 1 +ATOM 2170 C CE . MET A 1 284 ? 75.864 49.048 54.217 1.00 28.21 ? ? ? ? ? ? 284 MET A CE 1 +ATOM 2171 N N . TYR A 1 285 ? 82.293 48.298 52.971 1.00 23.36 ? ? ? ? ? ? 285 TYR A N 1 +ATOM 2172 C CA . TYR A 1 285 ? 83.260 47.373 52.375 1.00 22.84 ? ? ? ? ? ? 285 TYR A CA 1 +ATOM 2173 C C . TYR A 1 285 ? 84.505 47.171 53.232 1.00 22.82 ? ? ? ? ? ? 285 TYR A C 1 +ATOM 2174 O O . TYR A 1 285 ? 84.869 46.042 53.549 1.00 21.44 ? ? ? ? ? ? 285 TYR A O 1 +ATOM 2175 C CB . TYR A 1 285 ? 83.651 47.845 50.970 1.00 21.62 ? ? ? ? ? ? 285 TYR A CB 1 +ATOM 2176 C CG . TYR A 1 285 ? 84.747 47.020 50.331 1.00 21.39 ? ? ? ? ? ? 285 TYR A CG 1 +ATOM 2177 C CD1 . TYR A 1 285 ? 84.492 45.736 49.846 1.00 20.54 ? ? ? ? ? ? 285 TYR A CD1 1 +ATOM 2178 C CD2 . TYR A 1 285 ? 86.052 47.514 50.247 1.00 22.33 ? ? ? ? ? ? 285 TYR A CD2 1 +ATOM 2179 C CE1 . TYR A 1 285 ? 85.510 44.962 49.300 1.00 22.17 ? ? ? ? ? ? 285 TYR A CE1 1 +ATOM 2180 C CE2 . TYR A 1 285 ? 87.083 46.749 49.703 1.00 23.00 ? ? ? ? ? ? 285 TYR A CE2 1 +ATOM 2181 C CZ . TYR A 1 285 ? 86.812 45.473 49.235 1.00 23.40 ? ? ? ? ? ? 285 TYR A CZ 1 +ATOM 2182 O OH . TYR A 1 285 ? 87.852 44.707 48.749 1.00 22.80 ? ? ? ? ? ? 285 TYR A OH 1 +ATOM 2183 N N . ALA A 1 286 ? 85.128 48.280 53.618 1.00 24.60 ? ? ? ? ? ? 286 ALA A N 1 +ATOM 2184 C CA . ALA A 1 286 ? 86.335 48.284 54.440 1.00 25.21 ? ? ? ? ? ? 286 ALA A CA 1 +ATOM 2185 C C . ALA A 1 286 ? 86.101 47.718 55.833 1.00 25.89 ? ? ? ? ? ? 286 ALA A C 1 +ATOM 2186 O O . ALA A 1 286 ? 87.048 47.301 56.502 1.00 27.07 ? ? ? ? ? ? 286 ALA A O 1 +ATOM 2187 C CB . ALA A 1 286 ? 86.872 49.697 54.559 1.00 25.02 ? ? ? ? ? ? 286 ALA A CB 1 +ATOM 2188 N N . GLN A 1 287 ? 84.853 47.718 56.288 1.00 25.20 ? ? ? ? ? ? 287 GLN A N 1 +ATOM 2189 C CA . GLN A 1 287 ? 84.567 47.216 57.615 1.00 23.95 ? ? ? ? ? ? 287 GLN A CA 1 +ATOM 2190 C C . GLN A 1 287 ? 84.361 45.706 57.720 1.00 22.83 ? ? ? ? ? ? 287 GLN A C 1 +ATOM 2191 O O . GLN A 1 287 ? 84.579 45.125 58.787 1.00 23.03 ? ? ? ? ? ? 287 GLN A O 1 +ATOM 2192 C CB . GLN A 1 287 ? 83.410 47.991 58.238 1.00 25.41 ? ? ? ? ? ? 287 GLN A CB 1 +ATOM 2193 C CG . GLN A 1 287 ? 83.825 48.892 59.413 1.00 30.79 ? ? ? ? ? ? 287 GLN A CG 1 +ATOM 2194 C CD . GLN A 1 287 ? 84.408 50.252 59.004 1.00 34.09 ? ? ? ? ? ? 287 GLN A CD 1 +ATOM 2195 O OE1 . GLN A 1 287 ? 83.884 51.316 59.389 1.00 33.40 ? ? ? ? ? ? 287 GLN A OE1 1 +ATOM 2196 N NE2 . GLN A 1 287 ? 85.521 50.226 58.265 1.00 35.30 ? ? ? ? ? ? 287 GLN A NE2 1 +ATOM 2197 N N . ALA A 1 288 ? 83.972 45.060 56.626 1.00 21.67 ? ? ? ? ? ? 288 ALA A N 1 +ATOM 2198 C CA . ALA A 1 288 ? 83.756 43.607 56.638 1.00 20.96 ? ? ? ? ? ? 288 ALA A CA 1 +ATOM 2199 C C . ALA A 1 288 ? 85.041 42.892 57.007 1.00 21.35 ? ? ? ? ? ? 288 ALA A C 1 +ATOM 2200 O O . ALA A 1 288 ? 86.087 43.238 56.467 1.00 22.56 ? ? ? ? ? ? 288 ALA A O 1 +ATOM 2201 C CB . ALA A 1 288 ? 83.312 43.141 55.285 1.00 20.72 ? ? ? ? ? ? 288 ALA A CB 1 +ATOM 2202 N N . LYS A 1 289 ? 84.982 41.910 57.915 1.00 20.95 ? ? ? ? ? ? 289 LYS A N 1 +ATOM 2203 C CA . LYS A 1 289 ? 86.192 41.169 58.292 1.00 19.68 ? ? ? ? ? ? 289 LYS A CA 1 +ATOM 2204 C C . LYS A 1 289 ? 86.792 40.574 57.016 1.00 19.10 ? ? ? ? ? ? 289 LYS A C 1 +ATOM 2205 O O . LYS A 1 289 ? 88.004 40.519 56.854 1.00 19.45 ? ? ? ? ? ? 289 LYS A O 1 +ATOM 2206 C CB . LYS A 1 289 ? 85.885 40.059 59.299 1.00 21.45 ? ? ? ? ? ? 289 LYS A CB 1 +ATOM 2207 C CG . LYS A 1 289 ? 85.333 40.522 60.642 1.00 26.93 ? ? ? ? ? ? 289 LYS A CG 1 +ATOM 2208 C CD . LYS A 1 289 ? 84.721 39.343 61.451 1.00 30.93 ? ? ? ? ? ? 289 LYS A CD 1 +ATOM 2209 C CE . LYS A 1 289 ? 84.111 39.771 62.810 1.00 33.75 ? ? ? ? ? ? 289 LYS A CE 1 +ATOM 2210 N NZ . LYS A 1 289 ? 85.075 39.866 63.981 1.00 34.73 ? ? ? ? ? ? 289 LYS A NZ 1 +ATOM 2211 N N . SER A 1 290 ? 85.923 40.125 56.119 1.00 17.94 ? ? ? ? ? ? 290 SER A N 1 +ATOM 2212 C CA . SER A 1 290 ? 86.316 39.569 54.838 1.00 16.95 ? ? ? ? ? ? 290 SER A CA 1 +ATOM 2213 C C . SER A 1 290 ? 85.266 40.061 53.879 1.00 17.90 ? ? ? ? ? ? 290 SER A C 1 +ATOM 2214 O O . SER A 1 290 ? 84.074 39.955 54.183 1.00 19.76 ? ? ? ? ? ? 290 SER A O 1 +ATOM 2215 C CB . SER A 1 290 ? 86.290 38.057 54.882 1.00 17.12 ? ? ? ? ? ? 290 SER A CB 1 +ATOM 2216 O OG . SER A 1 290 ? 87.420 37.580 55.587 1.00 21.01 ? ? ? ? ? ? 290 SER A OG 1 +ATOM 2217 N N . ALA A 1 291 ? 85.693 40.637 52.756 1.00 16.88 ? ? ? ? ? ? 291 ALA A N 1 +ATOM 2218 C CA . ALA A 1 291 ? 84.780 41.163 51.743 1.00 16.06 ? ? ? ? ? ? 291 ALA A CA 1 +ATOM 2219 C C . ALA A 1 291 ? 85.277 40.715 50.389 1.00 15.25 ? ? ? ? ? ? 291 ALA A C 1 +ATOM 2220 O O . ALA A 1 291 ? 86.470 40.794 50.127 1.00 18.00 ? ? ? ? ? ? 291 ALA A O 1 +ATOM 2221 C CB . ALA A 1 291 ? 84.760 42.681 51.814 1.00 17.69 ? ? ? ? ? ? 291 ALA A CB 1 +ATOM 2222 N N . ALA A 1 292 ? 84.398 40.232 49.527 1.00 14.24 ? ? ? ? ? ? 292 ALA A N 1 +ATOM 2223 C CA . ALA A 1 292 ? 84.837 39.767 48.219 1.00 13.66 ? ? ? ? ? ? 292 ALA A CA 1 +ATOM 2224 C C . ALA A 1 292 ? 84.226 40.560 47.091 1.00 13.61 ? ? ? ? ? ? 292 ALA A C 1 +ATOM 2225 O O . ALA A 1 292 ? 83.019 40.837 47.105 1.00 13.11 ? ? ? ? ? ? 292 ALA A O 1 +ATOM 2226 C CB . ALA A 1 292 ? 84.510 38.279 48.033 1.00 14.95 ? ? ? ? ? ? 292 ALA A CB 1 +ATOM 2227 N N . ILE A 1 293 ? 85.051 40.883 46.092 1.00 12.18 ? ? ? ? ? ? 293 ILE A N 1 +ATOM 2228 C CA . ILE A 1 293 ? 84.586 41.629 44.935 1.00 11.45 ? ? ? ? ? ? 293 ILE A CA 1 +ATOM 2229 C C . ILE A 1 293 ? 84.214 40.707 43.769 1.00 11.17 ? ? ? ? ? ? 293 ILE A C 1 +ATOM 2230 O O . ILE A 1 293 ? 85.070 39.970 43.278 1.00 11.56 ? ? ? ? ? ? 293 ILE A O 1 +ATOM 2231 C CB . ILE A 1 293 ? 85.645 42.660 44.465 1.00 10.14 ? ? ? ? ? ? 293 ILE A CB 1 +ATOM 2232 C CG1 . ILE A 1 293 ? 85.862 43.714 45.558 1.00 10.83 ? ? ? ? ? ? 293 ILE A CG1 1 +ATOM 2233 C CG2 . ILE A 1 293 ? 85.186 43.334 43.182 1.00 8.68 ? ? ? ? ? ? 293 ILE A CG2 1 +ATOM 2234 C CD1 . ILE A 1 293 ? 86.958 44.740 45.271 1.00 11.51 ? ? ? ? ? ? 293 ILE A CD1 1 +ATOM 2235 N N . LEU A 1 294 ? 82.937 40.676 43.388 1.00 9.09 ? ? ? ? ? ? 294 LEU A N 1 +ATOM 2236 C CA . LEU A 1 294 ? 82.531 39.876 42.241 1.00 9.51 ? ? ? ? ? ? 294 LEU A CA 1 +ATOM 2237 C C . LEU A 1 294 ? 82.194 40.903 41.177 1.00 10.70 ? ? ? ? ? ? 294 LEU A C 1 +ATOM 2238 O O . LEU A 1 294 ? 81.353 41.797 41.413 1.00 11.33 ? ? ? ? ? ? 294 LEU A O 1 +ATOM 2239 C CB . LEU A 1 294 ? 81.299 39.028 42.529 1.00 10.99 ? ? ? ? ? ? 294 LEU A CB 1 +ATOM 2240 C CG . LEU A 1 294 ? 81.241 38.175 43.800 1.00 12.77 ? ? ? ? ? ? 294 LEU A CG 1 +ATOM 2241 C CD1 . LEU A 1 294 ? 79.877 37.527 43.840 1.00 12.77 ? ? ? ? ? ? 294 LEU A CD1 1 +ATOM 2242 C CD2 . LEU A 1 294 ? 82.329 37.124 43.827 1.00 13.30 ? ? ? ? ? ? 294 LEU A CD2 1 +ATOM 2243 N N . TRP A 1 295 ? 82.850 40.809 40.019 1.00 10.09 ? ? ? ? ? ? 295 TRP A N 1 +ATOM 2244 C CA . TRP A 1 295 ? 82.596 41.772 38.942 1.00 10.78 ? ? ? ? ? ? 295 TRP A CA 1 +ATOM 2245 C C . TRP A 1 295 ? 82.512 41.100 37.581 1.00 10.60 ? ? ? ? ? ? 295 TRP A C 1 +ATOM 2246 O O . TRP A 1 295 ? 82.896 39.937 37.436 1.00 11.66 ? ? ? ? ? ? 295 TRP A O 1 +ATOM 2247 C CB . TRP A 1 295 ? 83.654 42.897 38.955 1.00 10.75 ? ? ? ? ? ? 295 TRP A CB 1 +ATOM 2248 C CG . TRP A 1 295 ? 84.993 42.577 38.331 1.00 9.80 ? ? ? ? ? ? 295 TRP A CG 1 +ATOM 2249 C CD1 . TRP A 1 295 ? 85.250 42.343 37.003 1.00 9.47 ? ? ? ? ? ? 295 TRP A CD1 1 +ATOM 2250 C CD2 . TRP A 1 295 ? 86.259 42.536 38.996 1.00 8.98 ? ? ? ? ? ? 295 TRP A CD2 1 +ATOM 2251 N NE1 . TRP A 1 295 ? 86.601 42.172 36.807 1.00 10.31 ? ? ? ? ? ? 295 TRP A NE1 1 +ATOM 2252 C CE2 . TRP A 1 295 ? 87.245 42.283 38.012 1.00 9.55 ? ? ? ? ? ? 295 TRP A CE2 1 +ATOM 2253 C CE3 . TRP A 1 295 ? 86.660 42.694 40.323 1.00 10.15 ? ? ? ? ? ? 295 TRP A CE3 1 +ATOM 2254 C CZ2 . TRP A 1 295 ? 88.608 42.187 38.317 1.00 8.66 ? ? ? ? ? ? 295 TRP A CZ2 1 +ATOM 2255 C CZ3 . TRP A 1 295 ? 88.027 42.599 40.627 1.00 10.43 ? ? ? ? ? ? 295 TRP A CZ3 1 +ATOM 2256 C CH2 . TRP A 1 295 ? 88.980 42.348 39.622 1.00 9.02 ? ? ? ? ? ? 295 TRP A CH2 1 +ATOM 2257 N N . GLY A 1 296 ? 82.041 41.837 36.582 1.00 11.23 ? ? ? ? ? ? 296 GLY A N 1 +ATOM 2258 C CA . GLY A 1 296 ? 81.909 41.259 35.251 1.00 13.08 ? ? ? ? ? ? 296 GLY A CA 1 +ATOM 2259 C C . GLY A 1 296 ? 82.094 42.195 34.063 1.00 13.69 ? ? ? ? ? ? 296 GLY A C 1 +ATOM 2260 O O . GLY A 1 296 ? 83.113 42.881 33.939 1.00 11.26 ? ? ? ? ? ? 296 GLY A O 1 +ATOM 2261 N N . MET A 1 297 ? 81.091 42.231 33.190 1.00 14.95 ? ? ? ? ? ? 297 MET A N 1 +ATOM 2262 C CA . MET A 1 297 ? 81.143 43.069 31.986 1.00 16.36 ? ? ? ? ? ? 297 MET A CA 1 +ATOM 2263 C C . MET A 1 297 ? 80.776 44.552 32.165 1.00 15.69 ? ? ? ? ? ? 297 MET A C 1 +ATOM 2264 O O . MET A 1 297 ? 81.013 45.365 31.275 1.00 16.13 ? ? ? ? ? ? 297 MET A O 1 +ATOM 2265 C CB . MET A 1 297 ? 80.302 42.446 30.866 1.00 17.96 ? ? ? ? ? ? 297 MET A CB 1 +ATOM 2266 C CG . MET A 1 297 ? 80.618 40.982 30.588 1.00 18.53 ? ? ? ? ? ? 297 MET A CG 1 +ATOM 2267 S SD . MET A 1 297 ? 82.411 40.607 30.457 1.00 20.12 ? ? ? ? ? ? 297 MET A SD 1 +ATOM 2268 C CE . MET A 1 297 ? 82.496 40.660 28.706 1.00 18.51 ? ? ? ? ? ? 297 MET A CE 1 +ATOM 2269 N N . GLY A 1 298 ? 80.222 44.909 33.316 1.00 15.30 ? ? ? ? ? ? 298 GLY A N 1 +ATOM 2270 C CA . GLY A 1 298 ? 79.885 46.292 33.562 1.00 14.75 ? ? ? ? ? ? 298 GLY A CA 1 +ATOM 2271 C C . GLY A 1 298 ? 81.185 47.026 33.797 1.00 16.41 ? ? ? ? ? ? 298 GLY A C 1 +ATOM 2272 O O . GLY A 1 298 ? 81.222 48.260 33.935 1.00 18.49 ? ? ? ? ? ? 298 GLY A O 1 +ATOM 2273 N N . VAL A 1 299 ? 82.261 46.248 33.876 1.00 15.84 ? ? ? ? ? ? 299 VAL A N 1 +ATOM 2274 C CA . VAL A 1 299 ? 83.600 46.769 34.088 1.00 14.06 ? ? ? ? ? ? 299 VAL A CA 1 +ATOM 2275 C C . VAL A 1 299 ? 84.431 46.655 32.807 1.00 15.54 ? ? ? ? ? ? 299 VAL A C 1 +ATOM 2276 O O . VAL A 1 299 ? 84.796 47.647 32.172 1.00 16.27 ? ? ? ? ? ? 299 VAL A O 1 +ATOM 2277 C CB . VAL A 1 299 ? 84.305 45.980 35.233 1.00 11.39 ? ? ? ? ? ? 299 VAL A CB 1 +ATOM 2278 C CG1 . VAL A 1 299 ? 85.780 46.332 35.326 1.00 11.32 ? ? ? ? ? ? 299 VAL A CG1 1 +ATOM 2279 C CG2 . VAL A 1 299 ? 83.626 46.262 36.549 1.00 10.66 ? ? ? ? ? ? 299 VAL A CG2 1 +ATOM 2280 N N . THR A 1 300 ? 84.651 45.425 32.392 1.00 16.80 ? ? ? ? ? ? 300 THR A N 1 +ATOM 2281 C CA . THR A 1 300 ? 85.489 45.151 31.256 1.00 19.29 ? ? ? ? ? ? 300 THR A CA 1 +ATOM 2282 C C . THR A 1 300 ? 85.115 45.726 29.904 1.00 22.11 ? ? ? ? ? ? 300 THR A C 1 +ATOM 2283 O O . THR A 1 300 ? 85.977 46.251 29.191 1.00 23.00 ? ? ? ? ? ? 300 THR A O 1 +ATOM 2284 C CB . THR A 1 300 ? 85.761 43.642 31.170 1.00 18.27 ? ? ? ? ? ? 300 THR A CB 1 +ATOM 2285 O OG1 . THR A 1 300 ? 84.515 42.926 31.177 1.00 20.68 ? ? ? ? ? ? 300 THR A OG1 1 +ATOM 2286 C CG2 . THR A 1 300 ? 86.595 43.202 32.365 1.00 14.87 ? ? ? ? ? ? 300 THR A CG2 1 +ATOM 2287 N N . GLN A 1 301 ? 83.838 45.680 29.559 1.00 25.80 ? ? ? ? ? ? 301 GLN A N 1 +ATOM 2288 C CA . GLN A 1 301 ? 83.400 46.172 28.248 1.00 29.70 ? ? ? ? ? ? 301 GLN A CA 1 +ATOM 2289 C C . GLN A 1 301 ? 83.249 47.681 28.059 1.00 30.69 ? ? ? ? ? ? 301 GLN A C 1 +ATOM 2290 O O . GLN A 1 301 ? 82.346 48.162 27.358 1.00 29.90 ? ? ? ? ? ? 301 GLN A O 1 +ATOM 2291 C CB . GLN A 1 301 ? 82.163 45.404 27.790 1.00 30.61 ? ? ? ? ? ? 301 GLN A CB 1 +ATOM 2292 C CG . GLN A 1 301 ? 82.530 43.963 27.501 1.00 31.60 ? ? ? ? ? ? 301 GLN A CG 1 +ATOM 2293 C CD . GLN A 1 301 ? 81.367 43.137 27.056 1.00 32.73 ? ? ? ? ? ? 301 GLN A CD 1 +ATOM 2294 O OE1 . GLN A 1 301 ? 80.215 43.428 27.400 1.00 32.27 ? ? ? ? ? ? 301 GLN A OE1 1 +ATOM 2295 N NE2 . GLN A 1 301 ? 81.655 42.084 26.288 1.00 31.63 ? ? ? ? ? ? 301 GLN A NE2 1 +ATOM 2296 N N . PHE A 1 302 ? 84.195 48.389 28.664 1.00 31.62 ? ? ? ? ? ? 302 PHE A N 1 +ATOM 2297 C CA . PHE A 1 302 ? 84.318 49.830 28.630 1.00 32.71 ? ? ? ? ? ? 302 PHE A CA 1 +ATOM 2298 C C . PHE A 1 302 ? 85.814 50.020 28.362 1.00 34.52 ? ? ? ? ? ? 302 PHE A C 1 +ATOM 2299 O O . PHE A 1 302 ? 86.633 49.426 29.065 1.00 36.53 ? ? ? ? ? ? 302 PHE A O 1 +ATOM 2300 C CB . PHE A 1 302 ? 83.981 50.409 30.001 1.00 32.05 ? ? ? ? ? ? 302 PHE A CB 1 +ATOM 2301 C CG . PHE A 1 302 ? 82.501 50.624 30.246 1.00 31.43 ? ? ? ? ? ? 302 PHE A CG 1 +ATOM 2302 C CD1 . PHE A 1 302 ? 81.801 51.615 29.555 1.00 30.67 ? ? ? ? ? ? 302 PHE A CD1 1 +ATOM 2303 C CD2 . PHE A 1 302 ? 81.840 49.922 31.248 1.00 28.61 ? ? ? ? ? ? 302 PHE A CD2 1 +ATOM 2304 C CE1 . PHE A 1 302 ? 80.482 51.905 29.866 1.00 28.50 ? ? ? ? ? ? 302 PHE A CE1 1 +ATOM 2305 C CE2 . PHE A 1 302 ? 80.530 50.210 31.560 1.00 27.41 ? ? ? ? ? ? 302 PHE A CE2 1 +ATOM 2306 C CZ . PHE A 1 302 ? 79.849 51.204 30.873 1.00 28.48 ? ? ? ? ? ? 302 PHE A CZ 1 +ATOM 2307 N N . TYR A 1 303 ? 86.183 50.850 27.383 1.00 34.72 ? ? ? ? ? ? 303 TYR A N 1 +ATOM 2308 C CA . TYR A 1 303 ? 87.596 51.061 27.053 1.00 32.97 ? ? ? ? ? ? 303 TYR A CA 1 +ATOM 2309 C C . TYR A 1 303 ? 88.486 51.478 28.238 1.00 30.58 ? ? ? ? ? ? 303 TYR A C 1 +ATOM 2310 O O . TYR A 1 303 ? 89.680 51.191 28.252 1.00 30.48 ? ? ? ? ? ? 303 TYR A O 1 +ATOM 2311 C CB . TYR A 1 303 ? 87.739 51.991 25.832 1.00 36.19 ? ? ? ? ? ? 303 TYR A CB 1 +ATOM 2312 C CG . TYR A 1 303 ? 88.149 53.410 26.121 1.00 39.19 ? ? ? ? ? ? 303 TYR A CG 1 +ATOM 2313 C CD1 . TYR A 1 303 ? 87.287 54.281 26.797 1.00 42.46 ? ? ? ? ? ? 303 TYR A CD1 1 +ATOM 2314 C CD2 . TYR A 1 303 ? 89.418 53.875 25.767 1.00 40.25 ? ? ? ? ? ? 303 TYR A CD2 1 +ATOM 2315 C CE1 . TYR A 1 303 ? 87.683 55.590 27.128 1.00 42.26 ? ? ? ? ? ? 303 TYR A CE1 1 +ATOM 2316 C CE2 . TYR A 1 303 ? 89.823 55.166 26.092 1.00 41.74 ? ? ? ? ? ? 303 TYR A CE2 1 +ATOM 2317 C CZ . TYR A 1 303 ? 88.947 56.016 26.778 1.00 42.87 ? ? ? ? ? ? 303 TYR A CZ 1 +ATOM 2318 O OH . TYR A 1 303 ? 89.344 57.277 27.152 1.00 45.82 ? ? ? ? ? ? 303 TYR A OH 1 +ATOM 2319 N N . GLN A 1 304 ? 87.892 52.089 29.259 1.00 28.40 ? ? ? ? ? ? 304 GLN A N 1 +ATOM 2320 C CA . GLN A 1 304 ? 88.632 52.490 30.459 1.00 25.92 ? ? ? ? ? ? 304 GLN A CA 1 +ATOM 2321 C C . GLN A 1 304 ? 88.559 51.314 31.467 1.00 23.69 ? ? ? ? ? ? 304 GLN A C 1 +ATOM 2322 O O . GLN A 1 304 ? 88.782 51.494 32.670 1.00 23.09 ? ? ? ? ? ? 304 GLN A O 1 +ATOM 2323 C CB . GLN A 1 304 ? 87.980 53.740 31.075 1.00 27.67 ? ? ? ? ? ? 304 GLN A CB 1 +ATOM 2324 C CG . GLN A 1 304 ? 88.933 54.869 31.494 1.00 29.64 ? ? ? ? ? ? 304 GLN A CG 1 +ATOM 2325 C CD . GLN A 1 304 ? 88.591 55.497 32.862 1.00 31.23 ? ? ? ? ? ? 304 GLN A CD 1 +ATOM 2326 O OE1 . GLN A 1 304 ? 87.433 55.798 33.173 1.00 32.05 ? ? ? ? ? ? 304 GLN A OE1 1 +ATOM 2327 N NE2 . GLN A 1 304 ? 89.615 55.714 33.671 1.00 33.84 ? ? ? ? ? ? 304 GLN A NE2 1 +ATOM 2328 N N . GLY A 1 305 ? 88.315 50.109 30.951 1.00 20.61 ? ? ? ? ? ? 305 GLY A N 1 +ATOM 2329 C CA . GLY A 1 305 ? 88.158 48.917 31.773 1.00 19.61 ? ? ? ? ? ? 305 GLY A CA 1 +ATOM 2330 C C . GLY A 1 305 ? 89.329 48.218 32.446 1.00 19.43 ? ? ? ? ? ? 305 GLY A C 1 +ATOM 2331 O O . GLY A 1 305 ? 89.122 47.503 33.414 1.00 18.83 ? ? ? ? ? ? 305 GLY A O 1 +ATOM 2332 N N . VAL A 1 306 ? 90.537 48.308 31.899 1.00 20.60 ? ? ? ? ? ? 306 VAL A N 1 +ATOM 2333 C CA . VAL A 1 306 ? 91.672 47.672 32.558 1.00 19.23 ? ? ? ? ? ? 306 VAL A CA 1 +ATOM 2334 C C . VAL A 1 306 ? 91.933 48.530 33.781 1.00 20.41 ? ? ? ? ? ? 306 VAL A C 1 +ATOM 2335 O O . VAL A 1 306 ? 92.308 48.021 34.837 1.00 20.35 ? ? ? ? ? ? 306 VAL A O 1 +ATOM 2336 C CB . VAL A 1 306 ? 92.935 47.632 31.687 1.00 17.58 ? ? ? ? ? ? 306 VAL A CB 1 +ATOM 2337 C CG1 . VAL A 1 306 ? 94.069 47.051 32.468 1.00 18.35 ? ? ? ? ? ? 306 VAL A CG1 1 +ATOM 2338 C CG2 . VAL A 1 306 ? 92.723 46.761 30.479 1.00 18.61 ? ? ? ? ? ? 306 VAL A CG2 1 +ATOM 2339 N N . GLU A 1 307 ? 91.651 49.828 33.650 1.00 21.41 ? ? ? ? ? ? 307 GLU A N 1 +ATOM 2340 C CA . GLU A 1 307 ? 91.844 50.781 34.743 1.00 22.38 ? ? ? ? ? ? 307 GLU A CA 1 +ATOM 2341 C C . GLU A 1 307 ? 90.836 50.523 35.843 1.00 22.68 ? ? ? ? ? ? 307 GLU A C 1 +ATOM 2342 O O . GLU A 1 307 ? 91.173 50.627 37.016 1.00 23.69 ? ? ? ? ? ? 307 GLU A O 1 +ATOM 2343 C CB . GLU A 1 307 ? 91.694 52.229 34.272 1.00 23.64 ? ? ? ? ? ? 307 GLU A CB 1 +ATOM 2344 C CG . GLU A 1 307 ? 92.825 52.746 33.405 1.00 26.27 ? ? ? ? ? ? 307 GLU A CG 1 +ATOM 2345 C CD . GLU A 1 307 ? 92.893 52.084 32.037 1.00 27.61 ? ? ? ? ? ? 307 GLU A CD 1 +ATOM 2346 O OE1 . GLU A 1 307 ? 91.872 51.548 31.561 1.00 26.03 ? ? ? ? ? ? 307 GLU A OE1 1 +ATOM 2347 O OE2 . GLU A 1 307 ? 93.984 52.115 31.428 1.00 29.77 ? ? ? ? ? ? 307 GLU A OE2 1 +ATOM 2348 N N . THR A 1 308 ? 89.603 50.177 35.470 1.00 21.84 ? ? ? ? ? ? 308 THR A N 1 +ATOM 2349 C CA . THR A 1 308 ? 88.560 49.910 36.463 1.00 20.72 ? ? ? ? ? ? 308 THR A CA 1 +ATOM 2350 C C . THR A 1 308 ? 88.849 48.648 37.277 1.00 19.56 ? ? ? ? ? ? 308 THR A C 1 +ATOM 2351 O O . THR A 1 308 ? 88.620 48.608 38.474 1.00 19.57 ? ? ? ? ? ? 308 THR A O 1 +ATOM 2352 C CB . THR A 1 308 ? 87.193 49.783 35.805 1.00 21.06 ? ? ? ? ? ? 308 THR A CB 1 +ATOM 2353 O OG1 . THR A 1 308 ? 87.015 50.862 34.873 1.00 22.51 ? ? ? ? ? ? 308 THR A OG1 1 +ATOM 2354 C CG2 . THR A 1 308 ? 86.113 49.869 36.867 1.00 21.82 ? ? ? ? ? ? 308 THR A CG2 1 +ATOM 2355 N N . VAL A 1 309 ? 89.347 47.621 36.600 1.00 19.28 ? ? ? ? ? ? 309 VAL A N 1 +ATOM 2356 C CA . VAL A 1 309 ? 89.714 46.350 37.201 1.00 17.51 ? ? ? ? ? ? 309 VAL A CA 1 +ATOM 2357 C C . VAL A 1 309 ? 90.870 46.624 38.176 1.00 17.40 ? ? ? ? ? ? 309 VAL A C 1 +ATOM 2358 O O . VAL A 1 309 ? 90.853 46.201 39.338 1.00 17.16 ? ? ? ? ? ? 309 VAL A O 1 +ATOM 2359 C CB . VAL A 1 309 ? 90.227 45.392 36.104 1.00 17.67 ? ? ? ? ? ? 309 VAL A CB 1 +ATOM 2360 C CG1 . VAL A 1 309 ? 90.655 44.064 36.709 1.00 19.49 ? ? ? ? ? ? 309 VAL A CG1 1 +ATOM 2361 C CG2 . VAL A 1 309 ? 89.186 45.198 35.036 1.00 16.83 ? ? ? ? ? ? 309 VAL A CG2 1 +ATOM 2362 N N . ARG A 1 310 ? 91.873 47.335 37.674 1.00 15.30 ? ? ? ? ? ? 310 ARG A N 1 +ATOM 2363 C CA . ARG A 1 310 ? 93.036 47.700 38.445 1.00 14.74 ? ? ? ? ? ? 310 ARG A CA 1 +ATOM 2364 C C . ARG A 1 310 ? 92.624 48.526 39.654 1.00 14.95 ? ? ? ? ? ? 310 ARG A C 1 +ATOM 2365 O O . ARG A 1 310 ? 93.169 48.378 40.747 1.00 16.67 ? ? ? ? ? ? 310 ARG A O 1 +ATOM 2366 C CB . ARG A 1 310 ? 93.966 48.521 37.565 1.00 16.03 ? ? ? ? ? ? 310 ARG A CB 1 +ATOM 2367 C CG . ARG A 1 310 ? 94.918 47.734 36.681 1.00 16.97 ? ? ? ? ? ? 310 ARG A CG 1 +ATOM 2368 C CD . ARG A 1 310 ? 96.154 47.393 37.454 1.00 17.89 ? ? ? ? ? ? 310 ARG A CD 1 +ATOM 2369 N NE . ARG A 1 310 ? 97.400 47.722 36.773 1.00 21.18 ? ? ? ? ? ? 310 ARG A NE 1 +ATOM 2370 C CZ . ARG A 1 310 ? 98.550 47.969 37.404 1.00 22.53 ? ? ? ? ? ? 310 ARG A CZ 1 +ATOM 2371 N NH1 . ARG A 1 310 ? 98.616 47.942 38.731 1.00 21.49 ? ? ? ? ? ? 310 ARG A NH1 1 +ATOM 2372 N NH2 . ARG A 1 310 ? 99.659 48.164 36.709 1.00 22.94 ? ? ? ? ? ? 310 ARG A NH2 1 +ATOM 2373 N N . SER A 1 311 ? 91.651 49.397 39.446 1.00 14.90 ? ? ? ? ? ? 311 SER A N 1 +ATOM 2374 C CA . SER A 1 311 ? 91.133 50.278 40.482 1.00 15.37 ? ? ? ? ? ? 311 SER A CA 1 +ATOM 2375 C C . SER A 1 311 ? 90.419 49.465 41.590 1.00 15.17 ? ? ? ? ? ? 311 SER A C 1 +ATOM 2376 O O . SER A 1 311 ? 90.633 49.699 42.784 1.00 15.02 ? ? ? ? ? ? 311 SER A O 1 +ATOM 2377 C CB . SER A 1 311 ? 90.178 51.278 39.811 1.00 17.35 ? ? ? ? ? ? 311 SER A CB 1 +ATOM 2378 O OG . SER A 1 311 ? 89.869 52.393 40.623 1.00 19.56 ? ? ? ? ? ? 311 SER A OG 1 +ATOM 2379 N N . LEU A 1 312 ? 89.579 48.510 41.188 1.00 14.97 ? ? ? ? ? ? 312 LEU A N 1 +ATOM 2380 C CA . LEU A 1 312 ? 88.839 47.644 42.114 1.00 14.06 ? ? ? ? ? ? 312 LEU A CA 1 +ATOM 2381 C C . LEU A 1 312 ? 89.812 46.812 42.940 1.00 14.67 ? ? ? ? ? ? 312 LEU A C 1 +ATOM 2382 O O . LEU A 1 312 ? 89.709 46.739 44.163 1.00 15.16 ? ? ? ? ? ? 312 LEU A O 1 +ATOM 2383 C CB . LEU A 1 312 ? 87.937 46.713 41.329 1.00 12.96 ? ? ? ? ? ? 312 LEU A CB 1 +ATOM 2384 C CG . LEU A 1 312 ? 86.610 47.301 40.931 1.00 13.32 ? ? ? ? ? ? 312 LEU A CG 1 +ATOM 2385 C CD1 . LEU A 1 312 ? 85.951 46.469 39.838 1.00 16.35 ? ? ? ? ? ? 312 LEU A CD1 1 +ATOM 2386 C CD2 . LEU A 1 312 ? 85.771 47.326 42.181 1.00 15.70 ? ? ? ? ? ? 312 LEU A CD2 1 +ATOM 2387 N N . THR A 1 313 ? 90.730 46.144 42.255 1.00 14.27 ? ? ? ? ? ? 313 THR A N 1 +ATOM 2388 C CA . THR A 1 313 ? 91.751 45.362 42.919 1.00 14.00 ? ? ? ? ? ? 313 THR A CA 1 +ATOM 2389 C C . THR A 1 313 ? 92.449 46.264 43.965 1.00 14.33 ? ? ? ? ? ? 313 THR A C 1 +ATOM 2390 O O . THR A 1 313 ? 92.804 45.786 45.050 1.00 15.91 ? ? ? ? ? ? 313 THR A O 1 +ATOM 2391 C CB . THR A 1 313 ? 92.767 44.807 41.880 1.00 12.98 ? ? ? ? ? ? 313 THR A CB 1 +ATOM 2392 O OG1 . THR A 1 313 ? 92.051 44.068 40.883 1.00 12.79 ? ? ? ? ? ? 313 THR A OG1 1 +ATOM 2393 C CG2 . THR A 1 313 ? 93.785 43.900 42.538 1.00 11.68 ? ? ? ? ? ? 313 THR A CG2 1 +ATOM 2394 N N . SER A 1 314 ? 92.632 47.551 43.658 1.00 12.97 ? ? ? ? ? ? 314 SER A N 1 +ATOM 2395 C CA . SER A 1 314 ? 93.249 48.450 44.616 1.00 13.03 ? ? ? ? ? ? 314 SER A CA 1 +ATOM 2396 C C . SER A 1 314 ? 92.465 48.466 45.911 1.00 13.67 ? ? ? ? ? ? 314 SER A C 1 +ATOM 2397 O O . SER A 1 314 ? 93.057 48.308 46.972 1.00 14.32 ? ? ? ? ? ? 314 SER A O 1 +ATOM 2398 C CB . SER A 1 314 ? 93.339 49.865 44.085 1.00 13.60 ? ? ? ? ? ? 314 SER A CB 1 +ATOM 2399 O OG . SER A 1 314 ? 94.438 50.021 43.224 1.00 14.58 ? ? ? ? ? ? 314 SER A OG 1 +ATOM 2400 N N . LEU A 1 315 ? 91.142 48.629 45.842 1.00 14.09 ? ? ? ? ? ? 315 LEU A N 1 +ATOM 2401 C CA . LEU A 1 315 ? 90.325 48.654 47.065 1.00 14.67 ? ? ? ? ? ? 315 LEU A CA 1 +ATOM 2402 C C . LEU A 1 315 ? 90.593 47.399 47.913 1.00 16.91 ? ? ? ? ? ? 315 LEU A C 1 +ATOM 2403 O O . LEU A 1 315 ? 90.910 47.484 49.103 1.00 18.42 ? ? ? ? ? ? 315 LEU A O 1 +ATOM 2404 C CB . LEU A 1 315 ? 88.836 48.767 46.730 1.00 13.07 ? ? ? ? ? ? 315 LEU A CB 1 +ATOM 2405 C CG . LEU A 1 315 ? 88.311 50.071 46.119 1.00 11.71 ? ? ? ? ? ? 315 LEU A CG 1 +ATOM 2406 C CD1 . LEU A 1 315 ? 86.831 49.946 45.839 1.00 12.44 ? ? ? ? ? ? 315 LEU A CD1 1 +ATOM 2407 C CD2 . LEU A 1 315 ? 88.564 51.259 47.063 1.00 13.08 ? ? ? ? ? ? 315 LEU A CD2 1 +ATOM 2408 N N . ALA A 1 316 ? 90.504 46.235 47.283 1.00 17.70 ? ? ? ? ? ? 316 ALA A N 1 +ATOM 2409 C CA . ALA A 1 316 ? 90.778 44.978 47.953 1.00 17.98 ? ? ? ? ? ? 316 ALA A CA 1 +ATOM 2410 C C . ALA A 1 316 ? 92.197 44.996 48.562 1.00 18.97 ? ? ? ? ? ? 316 ALA A C 1 +ATOM 2411 O O . ALA A 1 316 ? 92.410 44.512 49.678 1.00 20.54 ? ? ? ? ? ? 316 ALA A O 1 +ATOM 2412 C CB . ALA A 1 316 ? 90.633 43.823 46.956 1.00 17.60 ? ? ? ? ? ? 316 ALA A CB 1 +ATOM 2413 N N . MET A 1 317 ? 93.172 45.522 47.828 1.00 18.60 ? ? ? ? ? ? 317 MET A N 1 +ATOM 2414 C CA . MET A 1 317 ? 94.537 45.596 48.339 1.00 19.53 ? ? ? ? ? ? 317 MET A CA 1 +ATOM 2415 C C . MET A 1 317 ? 94.515 46.398 49.614 1.00 19.64 ? ? ? ? ? ? 317 MET A C 1 +ATOM 2416 O O . MET A 1 317 ? 94.933 45.934 50.674 1.00 20.85 ? ? ? ? ? ? 317 MET A O 1 +ATOM 2417 C CB . MET A 1 317 ? 95.439 46.354 47.377 1.00 21.55 ? ? ? ? ? ? 317 MET A CB 1 +ATOM 2418 C CG . MET A 1 317 ? 95.823 45.619 46.150 1.00 22.79 ? ? ? ? ? ? 317 MET A CG 1 +ATOM 2419 S SD . MET A 1 317 ? 97.275 46.379 45.450 1.00 26.82 ? ? ? ? ? ? 317 MET A SD 1 +ATOM 2420 C CE . MET A 1 317 ? 97.035 45.843 43.759 1.00 28.60 ? ? ? ? ? ? 317 MET A CE 1 +ATOM 2421 N N . LEU A 1 318 ? 94.002 47.614 49.479 1.00 18.74 ? ? ? ? ? ? 318 LEU A N 1 +ATOM 2422 C CA . LEU A 1 318 ? 93.883 48.584 50.557 1.00 17.86 ? ? ? ? ? ? 318 LEU A CA 1 +ATOM 2423 C C . LEU A 1 318 ? 93.194 48.035 51.815 1.00 17.27 ? ? ? ? ? ? 318 LEU A C 1 +ATOM 2424 O O . LEU A 1 318 ? 93.457 48.483 52.939 1.00 16.63 ? ? ? ? ? ? 318 LEU A O 1 +ATOM 2425 C CB . LEU A 1 318 ? 93.115 49.810 50.033 1.00 16.66 ? ? ? ? ? ? 318 LEU A CB 1 +ATOM 2426 C CG . LEU A 1 318 ? 93.220 51.110 50.831 1.00 15.76 ? ? ? ? ? ? 318 LEU A CG 1 +ATOM 2427 C CD1 . LEU A 1 318 ? 94.681 51.520 50.938 1.00 14.16 ? ? ? ? ? ? 318 LEU A CD1 1 +ATOM 2428 C CD2 . LEU A 1 318 ? 92.410 52.185 50.167 1.00 12.97 ? ? ? ? ? ? 318 LEU A CD2 1 +ATOM 2429 N N . THR A 1 319 ? 92.339 47.043 51.628 1.00 16.59 ? ? ? ? ? ? 319 THR A N 1 +ATOM 2430 C CA . THR A 1 319 ? 91.592 46.481 52.740 1.00 16.16 ? ? ? ? ? ? 319 THR A CA 1 +ATOM 2431 C C . THR A 1 319 ? 92.071 45.114 53.217 1.00 16.05 ? ? ? ? ? ? 319 THR A C 1 +ATOM 2432 O O . THR A 1 319 ? 91.493 44.531 54.141 1.00 16.55 ? ? ? ? ? ? 319 THR A O 1 +ATOM 2433 C CB . THR A 1 319 ? 90.092 46.452 52.378 1.00 15.97 ? ? ? ? ? ? 319 THR A CB 1 +ATOM 2434 O OG1 . THR A 1 319 ? 89.898 45.818 51.096 1.00 13.14 ? ? ? ? ? ? 319 THR A OG1 1 +ATOM 2435 C CG2 . THR A 1 319 ? 89.575 47.895 52.285 1.00 15.29 ? ? ? ? ? ? 319 THR A CG2 1 +ATOM 2436 N N . GLY A 1 320 ? 93.163 44.633 52.628 1.00 15.00 ? ? ? ? ? ? 320 GLY A N 1 +ATOM 2437 C CA . GLY A 1 320 ? 93.672 43.327 52.987 1.00 13.07 ? ? ? ? ? ? 320 GLY A CA 1 +ATOM 2438 C C . GLY A 1 320 ? 92.778 42.176 52.560 1.00 13.12 ? ? ? ? ? ? 320 GLY A C 1 +ATOM 2439 O O . GLY A 1 320 ? 92.951 41.052 53.048 1.00 13.99 ? ? ? ? ? ? 320 GLY A O 1 +ATOM 2440 N N . ASN A 1 321 ? 91.869 42.410 51.613 1.00 12.72 ? ? ? ? ? ? 321 ASN A N 1 +ATOM 2441 C CA . ASN A 1 321 ? 90.963 41.344 51.167 1.00 13.58 ? ? ? ? ? ? 321 ASN A CA 1 +ATOM 2442 C C . ASN A 1 321 ? 91.561 40.469 50.073 1.00 13.23 ? ? ? ? ? ? 321 ASN A C 1 +ATOM 2443 O O . ASN A 1 321 ? 90.944 40.238 49.036 1.00 12.71 ? ? ? ? ? ? 321 ASN A O 1 +ATOM 2444 C CB . ASN A 1 321 ? 89.605 41.895 50.721 1.00 13.20 ? ? ? ? ? ? 321 ASN A CB 1 +ATOM 2445 C CG . ASN A 1 321 ? 88.816 42.496 51.874 1.00 15.53 ? ? ? ? ? ? 321 ASN A CG 1 +ATOM 2446 O OD1 . ASN A 1 321 ? 88.586 41.844 52.891 1.00 12.89 ? ? ? ? ? ? 321 ASN A OD1 1 +ATOM 2447 N ND2 . ASN A 1 321 ? 88.396 43.752 51.716 1.00 18.49 ? ? ? ? ? ? 321 ASN A ND2 1 +ATOM 2448 N N . LEU A 1 322 ? 92.743 39.938 50.340 1.00 12.44 ? ? ? ? ? ? 322 LEU A N 1 +ATOM 2449 C CA . LEU A 1 322 ? 93.441 39.093 49.394 1.00 13.33 ? ? ? ? ? ? 322 LEU A CA 1 +ATOM 2450 C C . LEU A 1 322 ? 94.393 38.233 50.199 1.00 15.25 ? ? ? ? ? ? 322 LEU A C 1 +ATOM 2451 O O . LEU A 1 322 ? 94.950 38.691 51.203 1.00 16.51 ? ? ? ? ? ? 322 LEU A O 1 +ATOM 2452 C CB . LEU A 1 322 ? 94.244 39.952 48.402 1.00 12.84 ? ? ? ? ? ? 322 LEU A CB 1 +ATOM 2453 C CG . LEU A 1 322 ? 93.530 40.816 47.353 1.00 10.73 ? ? ? ? ? ? 322 LEU A CG 1 +ATOM 2454 C CD1 . LEU A 1 322 ? 94.467 41.881 46.861 1.00 9.96 ? ? ? ? ? ? 322 LEU A CD1 1 +ATOM 2455 C CD2 . LEU A 1 322 ? 93.033 39.981 46.196 1.00 10.59 ? ? ? ? ? ? 322 LEU A CD2 1 +ATOM 2456 N N . GLY A 1 323 ? 94.587 36.998 49.754 1.00 15.68 ? ? ? ? ? ? 323 GLY A N 1 +ATOM 2457 C CA . GLY A 1 323 ? 95.485 36.100 50.448 1.00 16.13 ? ? ? ? ? ? 323 GLY A CA 1 +ATOM 2458 C C . GLY A 1 323 ? 94.772 35.274 51.490 1.00 17.04 ? ? ? ? ? ? 323 GLY A C 1 +ATOM 2459 O O . GLY A 1 323 ? 95.371 34.415 52.132 1.00 18.51 ? ? ? ? ? ? 323 GLY A O 1 +ATOM 2460 N N . LYS A 1 324 ? 93.463 35.450 51.578 1.00 17.87 ? ? ? ? ? ? 324 LYS A N 1 +ATOM 2461 C CA . LYS A 1 324 ? 92.661 34.736 52.559 1.00 18.57 ? ? ? ? ? ? 324 LYS A CA 1 +ATOM 2462 C C . LYS A 1 324 ? 91.361 34.248 51.953 1.00 19.37 ? ? ? ? ? ? 324 LYS A C 1 +ATOM 2463 O O . LYS A 1 324 ? 90.848 34.857 51.008 1.00 19.02 ? ? ? ? ? ? 324 LYS A O 1 +ATOM 2464 C CB . LYS A 1 324 ? 92.322 35.700 53.695 1.00 20.03 ? ? ? ? ? ? 324 LYS A CB 1 +ATOM 2465 C CG . LYS A 1 324 ? 91.798 37.037 53.210 1.00 20.33 ? ? ? ? ? ? 324 LYS A CG 1 +ATOM 2466 C CD . LYS A 1 324 ? 90.949 37.720 54.262 1.00 21.61 ? ? ? ? ? ? 324 LYS A CD 1 +ATOM 2467 C CE . LYS A 1 324 ? 91.767 38.430 55.297 1.00 22.21 ? ? ? ? ? ? 324 LYS A CE 1 +ATOM 2468 N NZ . LYS A 1 324 ? 90.868 39.127 56.253 1.00 23.59 ? ? ? ? ? ? 324 LYS A NZ 1 +ATOM 2469 N N . PRO A 1 325 ? 90.771 33.177 52.525 1.00 20.61 ? ? ? ? ? ? 325 PRO A N 1 +ATOM 2470 C CA . PRO A 1 325 ? 89.499 32.607 52.041 1.00 20.99 ? ? ? ? ? ? 325 PRO A CA 1 +ATOM 2471 C C . PRO A 1 325 ? 88.311 33.571 52.173 1.00 19.78 ? ? ? ? ? ? 325 PRO A C 1 +ATOM 2472 O O . PRO A 1 325 ? 88.316 34.484 52.993 1.00 21.26 ? ? ? ? ? ? 325 PRO A O 1 +ATOM 2473 C CB . PRO A 1 325 ? 89.308 31.400 52.950 1.00 19.56 ? ? ? ? ? ? 325 PRO A CB 1 +ATOM 2474 C CG . PRO A 1 325 ? 89.926 31.862 54.227 1.00 19.28 ? ? ? ? ? ? 325 PRO A CG 1 +ATOM 2475 C CD . PRO A 1 325 ? 91.211 32.469 53.738 1.00 19.93 ? ? ? ? ? ? 325 PRO A CD 1 +ATOM 2476 N N . HIS A 1 326 ? 87.291 33.361 51.364 1.00 18.50 ? ? ? ? ? ? 326 HIS A N 1 +ATOM 2477 C CA . HIS A 1 326 ? 86.104 34.218 51.412 1.00 19.99 ? ? ? ? ? ? 326 HIS A CA 1 +ATOM 2478 C C . HIS A 1 326 ? 86.395 35.705 51.276 1.00 19.94 ? ? ? ? ? ? 326 HIS A C 1 +ATOM 2479 O O . HIS A 1 326 ? 85.799 36.535 51.970 1.00 21.88 ? ? ? ? ? ? 326 HIS A O 1 +ATOM 2480 C CB . HIS A 1 326 ? 85.328 33.973 52.707 1.00 19.48 ? ? ? ? ? ? 326 HIS A CB 1 +ATOM 2481 C CG . HIS A 1 326 ? 85.488 32.586 53.235 1.00 19.57 ? ? ? ? ? ? 326 HIS A CG 1 +ATOM 2482 N ND1 . HIS A 1 326 ? 85.030 31.480 52.561 1.00 18.49 ? ? ? ? ? ? 326 HIS A ND1 1 +ATOM 2483 C CD2 . HIS A 1 326 ? 86.156 32.121 54.315 1.00 19.08 ? ? ? ? ? ? 326 HIS A CD2 1 +ATOM 2484 C CE1 . HIS A 1 326 ? 85.418 30.392 53.194 1.00 19.80 ? ? ? ? ? ? 326 HIS A CE1 1 +ATOM 2485 N NE2 . HIS A 1 326 ? 86.104 30.750 54.263 1.00 18.43 ? ? ? ? ? ? 326 HIS A NE2 1 +ATOM 2486 N N . ALA A 1 327 ? 87.265 36.044 50.342 1.00 18.89 ? ? ? ? ? ? 327 ALA A N 1 +ATOM 2487 C CA . ALA A 1 327 ? 87.623 37.428 50.095 1.00 18.00 ? ? ? ? ? ? 327 ALA A CA 1 +ATOM 2488 C C . ALA A 1 327 ? 88.123 37.465 48.652 1.00 17.90 ? ? ? ? ? ? 327 ALA A C 1 +ATOM 2489 O O . ALA A 1 327 ? 87.564 36.796 47.773 1.00 19.18 ? ? ? ? ? ? 327 ALA A O 1 +ATOM 2490 C CB . ALA A 1 327 ? 88.713 37.856 51.070 1.00 17.33 ? ? ? ? ? ? 327 ALA A CB 1 +ATOM 2491 N N . GLY A 1 328 ? 89.132 38.278 48.388 1.00 16.28 ? ? ? ? ? ? 328 GLY A N 1 +ATOM 2492 C CA . GLY A 1 328 ? 89.674 38.310 47.054 1.00 13.40 ? ? ? ? ? ? 328 GLY A CA 1 +ATOM 2493 C C . GLY A 1 328 ? 88.987 39.175 46.036 1.00 12.50 ? ? ? ? ? ? 328 GLY A C 1 +ATOM 2494 O O . GLY A 1 328 ? 88.102 39.978 46.332 1.00 12.28 ? ? ? ? ? ? 328 GLY A O 1 +ATOM 2495 N N . VAL A 1 329 ? 89.463 39.007 44.814 1.00 13.02 ? ? ? ? ? ? 329 VAL A N 1 +ATOM 2496 C CA . VAL A 1 329 ? 89.018 39.719 43.626 1.00 12.42 ? ? ? ? ? ? 329 VAL A CA 1 +ATOM 2497 C C . VAL A 1 329 ? 88.518 38.631 42.637 1.00 11.73 ? ? ? ? ? ? 329 VAL A C 1 +ATOM 2498 O O . VAL A 1 329 ? 89.263 37.738 42.225 1.00 11.59 ? ? ? ? ? ? 329 VAL A O 1 +ATOM 2499 C CB . VAL A 1 329 ? 90.228 40.558 43.122 1.00 11.98 ? ? ? ? ? ? 329 VAL A CB 1 +ATOM 2500 C CG1 . VAL A 1 329 ? 90.601 40.225 41.716 1.00 13.67 ? ? ? ? ? ? 329 VAL A CG1 1 +ATOM 2501 C CG2 . VAL A 1 329 ? 89.964 42.023 43.339 1.00 11.95 ? ? ? ? ? ? 329 VAL A CG2 1 +ATOM 2502 N N . ASN A 1 330 ? 87.247 38.718 42.265 1.00 10.20 ? ? ? ? ? ? 330 ASN A N 1 +ATOM 2503 C CA . ASN A 1 330 ? 86.646 37.706 41.429 1.00 8.51 ? ? ? ? ? ? 330 ASN A CA 1 +ATOM 2504 C C . ASN A 1 330 ? 85.986 38.038 40.100 1.00 7.21 ? ? ? ? ? ? 330 ASN A C 1 +ATOM 2505 O O . ASN A 1 330 ? 84.800 38.379 40.032 1.00 6.76 ? ? ? ? ? ? 330 ASN A O 1 +ATOM 2506 C CB . ASN A 1 330 ? 85.672 36.923 42.281 1.00 9.99 ? ? ? ? ? ? 330 ASN A CB 1 +ATOM 2507 C CG . ASN A 1 330 ? 86.321 36.385 43.511 1.00 11.91 ? ? ? ? ? ? 330 ASN A CG 1 +ATOM 2508 O OD1 . ASN A 1 330 ? 86.955 35.343 43.478 1.00 11.89 ? ? ? ? ? ? 330 ASN A OD1 1 +ATOM 2509 N ND2 . ASN A 1 330 ? 86.215 37.123 44.604 1.00 14.97 ? ? ? ? ? ? 330 ASN A ND2 1 +ATOM 2510 N N . PRO A 1 331 ? 86.771 38.041 39.028 1.00 5.71 ? ? ? ? ? ? 331 PRO A N 1 +ATOM 2511 C CA . PRO A 1 331 ? 86.161 38.330 37.741 1.00 5.41 ? ? ? ? ? ? 331 PRO A CA 1 +ATOM 2512 C C . PRO A 1 331 ? 85.526 37.006 37.341 1.00 7.80 ? ? ? ? ? ? 331 PRO A C 1 +ATOM 2513 O O . PRO A 1 331 ? 86.228 36.032 37.011 1.00 8.22 ? ? ? ? ? ? 331 PRO A O 1 +ATOM 2514 C CB . PRO A 1 331 ? 87.367 38.708 36.887 1.00 2.85 ? ? ? ? ? ? 331 PRO A CB 1 +ATOM 2515 C CG . PRO A 1 331 ? 88.469 37.983 37.507 1.00 3.26 ? ? ? ? ? ? 331 PRO A CG 1 +ATOM 2516 C CD . PRO A 1 331 ? 88.231 38.181 38.955 1.00 4.12 ? ? ? ? ? ? 331 PRO A CD 1 +ATOM 2517 N N . VAL A 1 332 ? 84.207 36.919 37.483 1.00 9.78 ? ? ? ? ? ? 332 VAL A N 1 +ATOM 2518 C CA . VAL A 1 332 ? 83.512 35.678 37.161 1.00 11.40 ? ? ? ? ? ? 332 VAL A CA 1 +ATOM 2519 C C . VAL A 1 332 ? 83.503 35.576 35.644 1.00 13.50 ? ? ? ? ? ? 332 VAL A C 1 +ATOM 2520 O O . VAL A 1 332 ? 82.774 36.311 34.975 1.00 15.41 ? ? ? ? ? ? 332 VAL A O 1 +ATOM 2521 C CB . VAL A 1 332 ? 82.067 35.640 37.752 1.00 10.65 ? ? ? ? ? ? 332 VAL A CB 1 +ATOM 2522 C CG1 . VAL A 1 332 ? 81.449 34.277 37.544 1.00 12.13 ? ? ? ? ? ? 332 VAL A CG1 1 +ATOM 2523 C CG2 . VAL A 1 332 ? 82.084 35.932 39.237 1.00 9.66 ? ? ? ? ? ? 332 VAL A CG2 1 +ATOM 2524 N N . ARG A 1 333 ? 84.385 34.730 35.110 1.00 14.28 ? ? ? ? ? ? 333 ARG A N 1 +ATOM 2525 C CA . ARG A 1 333 ? 84.528 34.537 33.665 1.00 14.78 ? ? ? ? ? ? 333 ARG A CA 1 +ATOM 2526 C C . ARG A 1 333 ? 83.174 34.096 33.152 1.00 13.94 ? ? ? ? ? ? 333 ARG A C 1 +ATOM 2527 O O . ARG A 1 333 ? 82.425 33.460 33.879 1.00 15.18 ? ? ? ? ? ? 333 ARG A O 1 +ATOM 2528 C CB . ARG A 1 333 ? 85.607 33.477 33.371 1.00 17.66 ? ? ? ? ? ? 333 ARG A CB 1 +ATOM 2529 C CG . ARG A 1 333 ? 86.811 33.456 34.380 1.00 20.30 ? ? ? ? ? ? 333 ARG A CG 1 +ATOM 2530 C CD . ARG A 1 333 ? 87.683 34.714 34.335 1.00 24.01 ? ? ? ? ? ? 333 ARG A CD 1 +ATOM 2531 N NE . ARG A 1 333 ? 88.857 34.578 33.461 1.00 28.94 ? ? ? ? ? ? 333 ARG A NE 1 +ATOM 2532 C CZ . ARG A 1 333 ? 88.818 34.569 32.123 1.00 32.34 ? ? ? ? ? ? 333 ARG A CZ 1 +ATOM 2533 N NH1 . ARG A 1 333 ? 87.657 34.685 31.481 1.00 32.82 ? ? ? ? ? ? 333 ARG A NH1 1 +ATOM 2534 N NH2 . ARG A 1 333 ? 89.946 34.496 31.411 1.00 31.89 ? ? ? ? ? ? 333 ARG A NH2 1 +ATOM 2535 N N . GLY A 1 334 ? 82.851 34.432 31.912 1.00 13.31 ? ? ? ? ? ? 334 GLY A N 1 +ATOM 2536 C CA . GLY A 1 334 ? 81.547 34.089 31.378 1.00 11.92 ? ? ? ? ? ? 334 GLY A CA 1 +ATOM 2537 C C . GLY A 1 334 ? 81.191 32.718 30.825 1.00 12.13 ? ? ? ? ? ? 334 GLY A C 1 +ATOM 2538 O O . GLY A 1 334 ? 80.342 32.008 31.382 1.00 11.87 ? ? ? ? ? ? 334 GLY A O 1 +ATOM 2539 N N . GLN A 1 335 ? 81.788 32.366 29.698 1.00 11.90 ? ? ? ? ? ? 335 GLN A N 1 +ATOM 2540 C CA . GLN A 1 335 ? 81.467 31.123 29.031 1.00 12.04 ? ? ? ? ? ? 335 GLN A CA 1 +ATOM 2541 C C . GLN A 1 335 ? 81.977 29.876 29.714 1.00 13.02 ? ? ? ? ? ? 335 GLN A C 1 +ATOM 2542 O O . GLN A 1 335 ? 83.065 29.889 30.295 1.00 12.63 ? ? ? ? ? ? 335 GLN A O 1 +ATOM 2543 C CB . GLN A 1 335 ? 81.915 31.176 27.577 1.00 11.59 ? ? ? ? ? ? 335 GLN A CB 1 +ATOM 2544 C CG . GLN A 1 335 ? 81.389 32.375 26.869 1.00 13.16 ? ? ? ? ? ? 335 GLN A CG 1 +ATOM 2545 C CD . GLN A 1 335 ? 80.869 32.075 25.490 1.00 15.18 ? ? ? ? ? ? 335 GLN A CD 1 +ATOM 2546 O OE1 . GLN A 1 335 ? 81.477 31.325 24.747 1.00 17.74 ? ? ? ? ? ? 335 GLN A OE1 1 +ATOM 2547 N NE2 . GLN A 1 335 ? 79.743 32.686 25.126 1.00 16.69 ? ? ? ? ? ? 335 GLN A NE2 1 +ATOM 2548 N N . ASN A 1 336 ? 81.196 28.797 29.590 1.00 11.85 ? ? ? ? ? ? 336 ASN A N 1 +ATOM 2549 C CA . ASN A 1 336 ? 81.518 27.513 30.196 1.00 12.34 ? ? ? ? ? ? 336 ASN A CA 1 +ATOM 2550 C C . ASN A 1 336 ? 82.990 27.170 30.235 1.00 12.43 ? ? ? ? ? ? 336 ASN A C 1 +ATOM 2551 O O . ASN A 1 336 ? 83.526 26.805 31.289 1.00 11.97 ? ? ? ? ? ? 336 ASN A O 1 +ATOM 2552 C CB . ASN A 1 336 ? 80.748 26.361 29.541 1.00 12.10 ? ? ? ? ? ? 336 ASN A CB 1 +ATOM 2553 C CG . ASN A 1 336 ? 81.162 26.107 28.111 1.00 10.87 ? ? ? ? ? ? 336 ASN A CG 1 +ATOM 2554 O OD1 . ASN A 1 336 ? 81.851 25.137 27.816 1.00 9.68 ? ? ? ? ? ? 336 ASN A OD1 1 +ATOM 2555 N ND2 . ASN A 1 336 ? 80.664 26.927 27.207 1.00 10.88 ? ? ? ? ? ? 336 ASN A ND2 1 +ATOM 2556 N N . ASN A 1 337 ? 83.667 27.352 29.111 1.00 13.10 ? ? ? ? ? ? 337 ASN A N 1 +ATOM 2557 C CA . ASN A 1 337 ? 85.077 27.024 29.077 1.00 11.87 ? ? ? ? ? ? 337 ASN A CA 1 +ATOM 2558 C C . ASN A 1 337 ? 86.025 28.097 28.617 1.00 11.07 ? ? ? ? ? ? 337 ASN A C 1 +ATOM 2559 O O . ASN A 1 337 ? 87.094 27.770 28.167 1.00 11.43 ? ? ? ? ? ? 337 ASN A O 1 +ATOM 2560 C CB . ASN A 1 337 ? 85.310 25.774 28.250 1.00 11.65 ? ? ? ? ? ? 337 ASN A CB 1 +ATOM 2561 C CG . ASN A 1 337 ? 86.605 25.123 28.587 1.00 12.01 ? ? ? ? ? ? 337 ASN A CG 1 +ATOM 2562 O OD1 . ASN A 1 337 ? 87.110 25.297 29.698 1.00 12.48 ? ? ? ? ? ? 337 ASN A OD1 1 +ATOM 2563 N ND2 . ASN A 1 337 ? 87.158 24.358 27.651 1.00 10.64 ? ? ? ? ? ? 337 ASN A ND2 1 +ATOM 2564 N N . VAL A 1 338 ? 85.666 29.373 28.742 1.00 11.93 ? ? ? ? ? ? 338 VAL A N 1 +ATOM 2565 C CA . VAL A 1 338 ? 86.568 30.453 28.315 1.00 11.02 ? ? ? ? ? ? 338 VAL A CA 1 +ATOM 2566 C C . VAL A 1 338 ? 87.791 30.455 29.194 1.00 11.44 ? ? ? ? ? ? 338 VAL A C 1 +ATOM 2567 O O . VAL A 1 338 ? 88.892 30.813 28.752 1.00 12.49 ? ? ? ? ? ? 338 VAL A O 1 +ATOM 2568 C CB . VAL A 1 338 ? 85.939 31.844 28.428 1.00 10.15 ? ? ? ? ? ? 338 VAL A CB 1 +ATOM 2569 C CG1 . VAL A 1 338 ? 85.417 32.078 29.833 1.00 11.45 ? ? ? ? ? ? 338 VAL A CG1 1 +ATOM 2570 C CG2 . VAL A 1 338 ? 86.960 32.887 28.066 1.00 7.63 ? ? ? ? ? ? 338 VAL A CG2 1 +ATOM 2571 N N . GLN A 1 339 ? 87.576 30.102 30.460 1.00 10.59 ? ? ? ? ? ? 339 GLN A N 1 +ATOM 2572 C CA . GLN A 1 339 ? 88.649 30.039 31.429 1.00 9.30 ? ? ? ? ? ? 339 GLN A CA 1 +ATOM 2573 C C . GLN A 1 339 ? 89.572 28.943 30.882 1.00 10.19 ? ? ? ? ? ? 339 GLN A C 1 +ATOM 2574 O O . GLN A 1 339 ? 90.756 29.182 30.668 1.00 12.62 ? ? ? ? ? ? 339 GLN A O 1 +ATOM 2575 C CB . GLN A 1 339 ? 88.061 29.688 32.803 1.00 8.44 ? ? ? ? ? ? 339 GLN A CB 1 +ATOM 2576 C CG . GLN A 1 339 ? 89.048 29.331 33.902 1.00 8.49 ? ? ? ? ? ? 339 GLN A CG 1 +ATOM 2577 C CD . GLN A 1 339 ? 90.019 30.440 34.207 1.00 9.57 ? ? ? ? ? ? 339 GLN A CD 1 +ATOM 2578 O OE1 . GLN A 1 339 ? 91.217 30.278 34.036 1.00 10.94 ? ? ? ? ? ? 339 GLN A OE1 1 +ATOM 2579 N NE2 . GLN A 1 339 ? 89.509 31.576 34.670 1.00 8.64 ? ? ? ? ? ? 339 GLN A NE2 1 +ATOM 2580 N N . GLY A 1 340 ? 88.984 27.815 30.490 1.00 9.72 ? ? ? ? ? ? 340 GLY A N 1 +ATOM 2581 C CA . GLY A 1 340 ? 89.746 26.687 29.986 1.00 8.55 ? ? ? ? ? ? 340 GLY A CA 1 +ATOM 2582 C C . GLY A 1 340 ? 90.651 26.983 28.822 1.00 9.05 ? ? ? ? ? ? 340 GLY A C 1 +ATOM 2583 O O . GLY A 1 340 ? 91.855 26.739 28.905 1.00 10.74 ? ? ? ? ? ? 340 GLY A O 1 +ATOM 2584 N N . ALA A 1 341 ? 90.072 27.483 27.736 1.00 8.34 ? ? ? ? ? ? 341 ALA A N 1 +ATOM 2585 C CA . ALA A 1 341 ? 90.790 27.840 26.519 1.00 8.41 ? ? ? ? ? ? 341 ALA A CA 1 +ATOM 2586 C C . ALA A 1 341 ? 92.024 28.700 26.858 1.00 10.52 ? ? ? ? ? ? 341 ALA A C 1 +ATOM 2587 O O . ALA A 1 341 ? 93.108 28.552 26.254 1.00 10.42 ? ? ? ? ? ? 341 ALA A O 1 +ATOM 2588 C CB . ALA A 1 341 ? 89.857 28.602 25.600 1.00 8.32 ? ? ? ? ? ? 341 ALA A CB 1 +ATOM 2589 N N . CYS A 1 342 ? 91.858 29.618 27.804 1.00 10.60 ? ? ? ? ? ? 342 CYS A N 1 +ATOM 2590 C CA . CYS A 1 342 ? 92.979 30.445 28.233 1.00 12.48 ? ? ? ? ? ? 342 CYS A CA 1 +ATOM 2591 C C . CYS A 1 342 ? 94.038 29.542 28.851 1.00 11.95 ? ? ? ? ? ? 342 CYS A C 1 +ATOM 2592 O O . CYS A 1 342 ? 95.202 29.589 28.433 1.00 13.16 ? ? ? ? ? ? 342 CYS A O 1 +ATOM 2593 C CB . CYS A 1 342 ? 92.534 31.540 29.220 1.00 12.85 ? ? ? ? ? ? 342 CYS A CB 1 +ATOM 2594 S SG . CYS A 1 342 ? 91.517 32.769 28.391 1.00 12.86 ? ? ? ? ? ? 342 CYS A SG 1 +ATOM 2595 N N . ASP A 1 343 ? 93.629 28.682 29.785 1.00 11.34 ? ? ? ? ? ? 343 ASP A N 1 +ATOM 2596 C CA . ASP A 1 343 ? 94.559 27.745 30.437 1.00 12.62 ? ? ? ? ? ? 343 ASP A CA 1 +ATOM 2597 C C . ASP A 1 343 ? 95.321 26.939 29.377 1.00 11.17 ? ? ? ? ? ? 343 ASP A C 1 +ATOM 2598 O O . ASP A 1 343 ? 96.438 26.508 29.602 1.00 8.89 ? ? ? ? ? ? 343 ASP A O 1 +ATOM 2599 C CB . ASP A 1 343 ? 93.822 26.720 31.321 1.00 13.48 ? ? ? ? ? ? 343 ASP A CB 1 +ATOM 2600 C CG . ASP A 1 343 ? 93.068 27.342 32.478 1.00 14.77 ? ? ? ? ? ? 343 ASP A CG 1 +ATOM 2601 O OD1 . ASP A 1 343 ? 93.533 28.336 33.064 1.00 14.58 ? ? ? ? ? ? 343 ASP A OD1 1 +ATOM 2602 O OD2 . ASP A 1 343 ? 92.016 26.782 32.842 1.00 16.52 ? ? ? ? ? ? 343 ASP A OD2 1 +ATOM 2603 N N . MET A 1 344 ? 94.681 26.705 28.239 1.00 11.43 ? ? ? ? ? ? 344 MET A N 1 +ATOM 2604 C CA . MET A 1 344 ? 95.286 25.924 27.168 1.00 12.66 ? ? ? ? ? ? 344 MET A CA 1 +ATOM 2605 C C . MET A 1 344 ? 96.237 26.709 26.299 1.00 12.63 ? ? ? ? ? ? 344 MET A C 1 +ATOM 2606 O O . MET A 1 344 ? 97.081 26.125 25.631 1.00 13.00 ? ? ? ? ? ? 344 MET A O 1 +ATOM 2607 C CB . MET A 1 344 ? 94.204 25.256 26.322 1.00 14.23 ? ? ? ? ? ? 344 MET A CB 1 +ATOM 2608 C CG . MET A 1 344 ? 93.306 24.357 27.141 1.00 13.17 ? ? ? ? ? ? 344 MET A CG 1 +ATOM 2609 S SD . MET A 1 344 ? 94.272 23.054 27.832 1.00 15.27 ? ? ? ? ? ? 344 MET A SD 1 +ATOM 2610 C CE . MET A 1 344 ? 94.320 23.496 29.566 1.00 13.47 ? ? ? ? ? ? 344 MET A CE 1 +ATOM 2611 N N . GLY A 1 345 ? 96.119 28.032 26.310 1.00 12.27 ? ? ? ? ? ? 345 GLY A N 1 +ATOM 2612 C CA . GLY A 1 345 ? 97.039 28.834 25.522 1.00 11.16 ? ? ? ? ? ? 345 GLY A CA 1 +ATOM 2613 C C . GLY A 1 345 ? 96.443 29.355 24.240 1.00 10.55 ? ? ? ? ? ? 345 GLY A C 1 +ATOM 2614 O O . GLY A 1 345 ? 97.146 29.657 23.264 1.00 7.70 ? ? ? ? ? ? 345 GLY A O 1 +ATOM 2615 N N . ALA A 1 346 ? 95.119 29.449 24.255 1.00 10.63 ? ? ? ? ? ? 346 ALA A N 1 +ATOM 2616 C CA . ALA A 1 346 ? 94.382 29.971 23.131 1.00 10.95 ? ? ? ? ? ? 346 ALA A CA 1 +ATOM 2617 C C . ALA A 1 346 ? 94.406 31.510 23.305 1.00 12.56 ? ? ? ? ? ? 346 ALA A C 1 +ATOM 2618 O O . ALA A 1 346 ? 93.380 32.204 23.215 1.00 13.34 ? ? ? ? ? ? 346 ALA A O 1 +ATOM 2619 C CB . ALA A 1 346 ? 92.980 29.419 23.155 1.00 10.10 ? ? ? ? ? ? 346 ALA A CB 1 +ATOM 2620 N N . LEU A 1 347 ? 95.604 32.013 23.598 1.00 12.25 ? ? ? ? ? ? 347 LEU A N 1 +ATOM 2621 C CA . LEU A 1 347 ? 95.882 33.424 23.801 1.00 12.24 ? ? ? ? ? ? 347 LEU A CA 1 +ATOM 2622 C C . LEU A 1 347 ? 97.089 33.643 22.916 1.00 13.40 ? ? ? ? ? ? 347 LEU A C 1 +ATOM 2623 O O . LEU A 1 347 ? 97.989 32.806 22.888 1.00 15.78 ? ? ? ? ? ? 347 LEU A O 1 +ATOM 2624 C CB . LEU A 1 347 ? 96.235 33.670 25.251 1.00 10.33 ? ? ? ? ? ? 347 LEU A CB 1 +ATOM 2625 C CG . LEU A 1 347 ? 94.992 33.457 26.077 1.00 10.50 ? ? ? ? ? ? 347 LEU A CG 1 +ATOM 2626 C CD1 . LEU A 1 347 ? 95.315 33.518 27.540 1.00 12.99 ? ? ? ? ? ? 347 LEU A CD1 1 +ATOM 2627 C CD2 . LEU A 1 347 ? 93.979 34.497 25.701 1.00 10.22 ? ? ? ? ? ? 347 LEU A CD2 1 +ATOM 2628 N N . PRO A 1 348 ? 97.169 34.793 22.239 1.00 13.42 ? ? ? ? ? ? 348 PRO A N 1 +ATOM 2629 C CA . PRO A 1 348 ? 98.306 35.048 21.348 1.00 14.03 ? ? ? ? ? ? 348 PRO A CA 1 +ATOM 2630 C C . PRO A 1 348 ? 99.645 35.351 21.972 1.00 14.72 ? ? ? ? ? ? 348 PRO A C 1 +ATOM 2631 O O . PRO A 1 348 ? 100.571 35.730 21.271 1.00 12.36 ? ? ? ? ? ? 348 PRO A O 1 +ATOM 2632 C CB . PRO A 1 348 ? 97.812 36.202 20.504 1.00 14.83 ? ? ? ? ? ? 348 PRO A CB 1 +ATOM 2633 C CG . PRO A 1 348 ? 96.933 36.971 21.481 1.00 14.09 ? ? ? ? ? ? 348 PRO A CG 1 +ATOM 2634 C CD . PRO A 1 348 ? 96.180 35.880 22.178 1.00 13.63 ? ? ? ? ? ? 348 PRO A CD 1 +ATOM 2635 N N . ASP A 1 349 ? 99.757 35.137 23.281 1.00 16.74 ? ? ? ? ? ? 349 ASP A N 1 +ATOM 2636 C CA . ASP A 1 349 ? 100.989 35.414 24.011 1.00 16.78 ? ? ? ? ? ? 349 ASP A CA 1 +ATOM 2637 C C . ASP A 1 349 ? 101.390 34.372 25.056 1.00 17.96 ? ? ? ? ? ? 349 ASP A C 1 +ATOM 2638 O O . ASP A 1 349 ? 102.429 34.526 25.711 1.00 20.97 ? ? ? ? ? ? 349 ASP A O 1 +ATOM 2639 C CB . ASP A 1 349 ? 100.924 36.798 24.662 1.00 16.22 ? ? ? ? ? ? 349 ASP A CB 1 +ATOM 2640 C CG . ASP A 1 349 ? 99.865 36.907 25.768 1.00 17.99 ? ? ? ? ? ? 349 ASP A CG 1 +ATOM 2641 O OD1 . ASP A 1 349 ? 98.964 36.049 25.893 1.00 17.31 ? ? ? ? ? ? 349 ASP A OD1 1 +ATOM 2642 O OD2 . ASP A 1 349 ? 99.925 37.904 26.526 1.00 19.95 ? ? ? ? ? ? 349 ASP A OD2 1 +ATOM 2643 N N . THR A 1 350 ? 100.600 33.315 25.224 1.00 15.96 ? ? ? ? ? ? 350 THR A N 1 +ATOM 2644 C CA . THR A 1 350 ? 100.965 32.306 26.205 1.00 14.99 ? ? ? ? ? ? 350 THR A CA 1 +ATOM 2645 C C . THR A 1 350 ? 100.717 30.915 25.693 1.00 15.28 ? ? ? ? ? ? 350 THR A C 1 +ATOM 2646 O O . THR A 1 350 ? 99.831 30.691 24.865 1.00 13.91 ? ? ? ? ? ? 350 THR A O 1 +ATOM 2647 C CB . THR A 1 350 ? 100.138 32.396 27.507 1.00 14.85 ? ? ? ? ? ? 350 THR A CB 1 +ATOM 2648 O OG1 . THR A 1 350 ? 99.188 33.455 27.417 1.00 15.97 ? ? ? ? ? ? 350 THR A OG1 1 +ATOM 2649 C CG2 . THR A 1 350 ? 101.018 32.580 28.697 1.00 12.70 ? ? ? ? ? ? 350 THR A CG2 1 +ATOM 2650 N N . TYR A 1 351 ? 101.530 29.993 26.200 1.00 15.47 ? ? ? ? ? ? 351 TYR A N 1 +ATOM 2651 C CA . TYR A 1 351 ? 101.406 28.572 25.905 1.00 15.45 ? ? ? ? ? ? 351 TYR A CA 1 +ATOM 2652 C C . TYR A 1 351 ? 100.452 28.133 27.022 1.00 14.39 ? ? ? ? ? ? 351 TYR A C 1 +ATOM 2653 O O . TYR A 1 351 ? 100.042 28.968 27.853 1.00 14.91 ? ? ? ? ? ? 351 TYR A O 1 +ATOM 2654 C CB . TYR A 1 351 ? 102.758 27.884 26.098 1.00 15.78 ? ? ? ? ? ? 351 TYR A CB 1 +ATOM 2655 C CG . TYR A 1 351 ? 103.762 28.161 25.017 1.00 17.42 ? ? ? ? ? ? 351 TYR A CG 1 +ATOM 2656 C CD1 . TYR A 1 351 ? 103.456 27.917 23.682 1.00 18.43 ? ? ? ? ? ? 351 TYR A CD1 1 +ATOM 2657 C CD2 . TYR A 1 351 ? 105.041 28.626 25.329 1.00 18.54 ? ? ? ? ? ? 351 TYR A CD2 1 +ATOM 2658 C CE1 . TYR A 1 351 ? 104.404 28.119 22.671 1.00 20.07 ? ? ? ? ? ? 351 TYR A CE1 1 +ATOM 2659 C CE2 . TYR A 1 351 ? 105.997 28.835 24.334 1.00 19.74 ? ? ? ? ? ? 351 TYR A CE2 1 +ATOM 2660 C CZ . TYR A 1 351 ? 105.672 28.573 23.002 1.00 20.99 ? ? ? ? ? ? 351 TYR A CZ 1 +ATOM 2661 O OH . TYR A 1 351 ? 106.621 28.725 22.007 1.00 22.40 ? ? ? ? ? ? 351 TYR A OH 1 +ATOM 2662 N N . PRO A 1 352 ? 100.015 26.865 27.024 1.00 11.83 ? ? ? ? ? ? 352 PRO A N 1 +ATOM 2663 C CA . PRO A 1 352 ? 99.124 26.506 28.122 1.00 10.45 ? ? ? ? ? ? 352 PRO A CA 1 +ATOM 2664 C C . PRO A 1 352 ? 99.928 26.586 29.397 1.00 9.86 ? ? ? ? ? ? 352 PRO A C 1 +ATOM 2665 O O . PRO A 1 352 ? 101.146 26.629 29.349 1.00 9.39 ? ? ? ? ? ? 352 PRO A O 1 +ATOM 2666 C CB . PRO A 1 352 ? 98.710 25.076 27.789 1.00 11.73 ? ? ? ? ? ? 352 PRO A CB 1 +ATOM 2667 C CG . PRO A 1 352 ? 99.769 24.587 26.851 1.00 13.53 ? ? ? ? ? ? 352 PRO A CG 1 +ATOM 2668 C CD . PRO A 1 352 ? 100.082 25.796 26.022 1.00 12.51 ? ? ? ? ? ? 352 PRO A CD 1 +ATOM 2669 N N . GLY A 1 353 ? 99.252 26.639 30.535 1.00 11.58 ? ? ? ? ? ? 353 GLY A N 1 +ATOM 2670 C CA . GLY A 1 353 ? 99.930 26.731 31.817 1.00 12.69 ? ? ? ? ? ? 353 GLY A CA 1 +ATOM 2671 C C . GLY A 1 353 ? 100.377 28.155 32.091 1.00 14.29 ? ? ? ? ? ? 353 GLY A C 1 +ATOM 2672 O O . GLY A 1 353 ? 101.055 28.425 33.073 1.00 16.44 ? ? ? ? ? ? 353 GLY A O 1 +ATOM 2673 N N . TYR A 1 354 ? 99.979 29.080 31.232 1.00 13.75 ? ? ? ? ? ? 354 TYR A N 1 +ATOM 2674 C CA . TYR A 1 354 ? 100.351 30.475 31.386 1.00 14.02 ? ? ? ? ? ? 354 TYR A CA 1 +ATOM 2675 C C . TYR A 1 354 ? 101.852 30.697 31.352 1.00 14.25 ? ? ? ? ? ? 354 TYR A C 1 +ATOM 2676 O O . TYR A 1 354 ? 102.395 31.591 31.998 1.00 15.23 ? ? ? ? ? ? 354 TYR A O 1 +ATOM 2677 C CB . TYR A 1 354 ? 99.690 31.078 32.610 1.00 13.22 ? ? ? ? ? ? 354 TYR A CB 1 +ATOM 2678 C CG . TYR A 1 354 ? 98.177 30.989 32.524 1.00 14.81 ? ? ? ? ? ? 354 TYR A CG 1 +ATOM 2679 C CD1 . TYR A 1 354 ? 97.467 31.797 31.635 1.00 12.19 ? ? ? ? ? ? 354 TYR A CD1 1 +ATOM 2680 C CD2 . TYR A 1 354 ? 97.454 30.064 33.317 1.00 13.95 ? ? ? ? ? ? 354 TYR A CD2 1 +ATOM 2681 C CE1 . TYR A 1 354 ? 96.096 31.695 31.531 1.00 13.39 ? ? ? ? ? ? 354 TYR A CE1 1 +ATOM 2682 C CE2 . TYR A 1 354 ? 96.071 29.958 33.220 1.00 11.51 ? ? ? ? ? ? 354 TYR A CE2 1 +ATOM 2683 C CZ . TYR A 1 354 ? 95.399 30.772 32.326 1.00 14.57 ? ? ? ? ? ? 354 TYR A CZ 1 +ATOM 2684 O OH . TYR A 1 354 ? 94.026 30.671 32.188 1.00 17.43 ? ? ? ? ? ? 354 TYR A OH 1 +ATOM 2685 N N . GLN A 1 355 ? 102.480 29.938 30.462 1.00 14.72 ? ? ? ? ? ? 355 GLN A N 1 +ATOM 2686 C CA . GLN A 1 355 ? 103.908 29.983 30.201 1.00 16.00 ? ? ? ? ? ? 355 GLN A CA 1 +ATOM 2687 C C . GLN A 1 355 ? 104.097 30.731 28.872 1.00 17.79 ? ? ? ? ? ? 355 GLN A C 1 +ATOM 2688 O O . GLN A 1 355 ? 104.056 30.137 27.784 1.00 18.29 ? ? ? ? ? ? 355 GLN A O 1 +ATOM 2689 C CB . GLN A 1 355 ? 104.428 28.559 30.115 1.00 13.57 ? ? ? ? ? ? 355 GLN A CB 1 +ATOM 2690 C CG . GLN A 1 355 ? 104.108 27.777 31.346 1.00 11.11 ? ? ? ? ? ? 355 GLN A CG 1 +ATOM 2691 C CD . GLN A 1 355 ? 104.373 26.328 31.177 1.00 11.57 ? ? ? ? ? ? 355 GLN A CD 1 +ATOM 2692 O OE1 . GLN A 1 355 ? 105.312 25.802 31.750 1.00 13.88 ? ? ? ? ? ? 355 GLN A OE1 1 +ATOM 2693 N NE2 . GLN A 1 355 ? 103.554 25.661 30.383 1.00 11.80 ? ? ? ? ? ? 355 GLN A NE2 1 +ATOM 2694 N N . TYR A 1 356 ? 104.293 32.042 28.986 1.00 19.22 ? ? ? ? ? ? 356 TYR A N 1 +ATOM 2695 C CA . TYR A 1 356 ? 104.428 32.961 27.840 1.00 19.86 ? ? ? ? ? ? 356 TYR A CA 1 +ATOM 2696 C C . TYR A 1 356 ? 105.516 32.628 26.821 1.00 19.21 ? ? ? ? ? ? 356 TYR A C 1 +ATOM 2697 O O . TYR A 1 356 ? 106.614 32.206 27.189 1.00 19.20 ? ? ? ? ? ? 356 TYR A O 1 +ATOM 2698 C CB . TYR A 1 356 ? 104.585 34.419 28.349 1.00 20.63 ? ? ? ? ? ? 356 TYR A CB 1 +ATOM 2699 C CG . TYR A 1 356 ? 103.559 34.802 29.408 1.00 20.09 ? ? ? ? ? ? 356 TYR A CG 1 +ATOM 2700 C CD1 . TYR A 1 356 ? 103.673 34.325 30.726 1.00 19.13 ? ? ? ? ? ? 356 TYR A CD1 1 +ATOM 2701 C CD2 . TYR A 1 356 ? 102.429 35.552 29.076 1.00 19.98 ? ? ? ? ? ? 356 TYR A CD2 1 +ATOM 2702 C CE1 . TYR A 1 356 ? 102.690 34.575 31.677 1.00 18.99 ? ? ? ? ? ? 356 TYR A CE1 1 +ATOM 2703 C CE2 . TYR A 1 356 ? 101.423 35.807 30.039 1.00 20.05 ? ? ? ? ? ? 356 TYR A CE2 1 +ATOM 2704 C CZ . TYR A 1 356 ? 101.568 35.314 31.330 1.00 19.61 ? ? ? ? ? ? 356 TYR A CZ 1 +ATOM 2705 O OH . TYR A 1 356 ? 100.596 35.553 32.277 1.00 22.02 ? ? ? ? ? ? 356 TYR A OH 1 +ATOM 2706 N N . VAL A 1 357 ? 105.200 32.854 25.543 1.00 19.81 ? ? ? ? ? ? 357 VAL A N 1 +ATOM 2707 C CA . VAL A 1 357 ? 106.132 32.592 24.429 1.00 19.52 ? ? ? ? ? ? 357 VAL A CA 1 +ATOM 2708 C C . VAL A 1 357 ? 107.389 33.459 24.494 1.00 19.19 ? ? ? ? ? ? 357 VAL A C 1 +ATOM 2709 O O . VAL A 1 357 ? 108.463 33.043 24.086 1.00 18.57 ? ? ? ? ? ? 357 VAL A O 1 +ATOM 2710 C CB . VAL A 1 357 ? 105.456 32.745 23.006 1.00 18.29 ? ? ? ? ? ? 357 VAL A CB 1 +ATOM 2711 C CG1 . VAL A 1 357 ? 104.439 31.656 22.786 1.00 18.35 ? ? ? ? ? ? 357 VAL A CG1 1 +ATOM 2712 C CG2 . VAL A 1 357 ? 104.777 34.093 22.842 1.00 17.10 ? ? ? ? ? ? 357 VAL A CG2 1 +ATOM 2713 N N . LYS A 1 358 ? 107.259 34.647 25.065 1.00 20.17 ? ? ? ? ? ? 358 LYS A N 1 +ATOM 2714 C CA . LYS A 1 358 ? 108.389 35.557 25.172 1.00 21.15 ? ? ? ? ? ? 358 LYS A CA 1 +ATOM 2715 C C . LYS A 1 358 ? 109.556 34.923 25.928 1.00 20.85 ? ? ? ? ? ? 358 LYS A C 1 +ATOM 2716 O O . LYS A 1 358 ? 110.710 35.167 25.592 1.00 20.32 ? ? ? ? ? ? 358 LYS A O 1 +ATOM 2717 C CB . LYS A 1 358 ? 107.979 36.864 25.852 1.00 21.87 ? ? ? ? ? ? 358 LYS A CB 1 +ATOM 2718 C CG . LYS A 1 358 ? 108.068 36.842 27.362 1.00 23.26 ? ? ? ? ? ? 358 LYS A CG 1 +ATOM 2719 C CD . LYS A 1 358 ? 108.050 38.249 27.895 1.00 25.89 ? ? ? ? ? ? 358 LYS A CD 1 +ATOM 2720 C CE . LYS A 1 358 ? 106.634 38.737 28.061 1.00 31.15 ? ? ? ? ? ? 358 LYS A CE 1 +ATOM 2721 N NZ . LYS A 1 358 ? 105.765 38.518 26.852 1.00 34.86 ? ? ? ? ? ? 358 LYS A NZ 1 +ATOM 2722 N N . ASP A 1 359 ? 109.242 34.103 26.930 1.00 20.14 ? ? ? ? ? ? 359 ASP A N 1 +ATOM 2723 C CA . ASP A 1 359 ? 110.251 33.440 27.737 1.00 19.19 ? ? ? ? ? ? 359 ASP A CA 1 +ATOM 2724 C C . ASP A 1 359 ? 110.978 32.376 26.934 1.00 20.38 ? ? ? ? ? ? 359 ASP A C 1 +ATOM 2725 O O . ASP A 1 359 ? 110.397 31.342 26.602 1.00 23.19 ? ? ? ? ? ? 359 ASP A O 1 +ATOM 2726 C CB . ASP A 1 359 ? 109.603 32.789 28.949 1.00 17.11 ? ? ? ? ? ? 359 ASP A CB 1 +ATOM 2727 C CG . ASP A 1 359 ? 110.618 32.340 29.985 1.00 17.29 ? ? ? ? ? ? 359 ASP A CG 1 +ATOM 2728 O OD1 . ASP A 1 359 ? 111.695 31.831 29.616 1.00 16.63 ? ? ? ? ? ? 359 ASP A OD1 1 +ATOM 2729 O OD2 . ASP A 1 359 ? 110.344 32.507 31.194 1.00 18.37 ? ? ? ? ? ? 359 ASP A OD2 1 +ATOM 2730 N N . PRO A 1 360 ? 112.300 32.537 26.752 1.00 20.17 ? ? ? ? ? ? 360 PRO A N 1 +ATOM 2731 C CA . PRO A 1 360 ? 113.131 31.590 25.997 1.00 19.37 ? ? ? ? ? ? 360 PRO A CA 1 +ATOM 2732 C C . PRO A 1 360 ? 113.104 30.149 26.528 1.00 18.72 ? ? ? ? ? ? 360 PRO A C 1 +ATOM 2733 O O . PRO A 1 360 ? 113.095 29.199 25.747 1.00 19.28 ? ? ? ? ? ? 360 PRO A O 1 +ATOM 2734 C CB . PRO A 1 360 ? 114.518 32.209 26.119 1.00 19.16 ? ? ? ? ? ? 360 PRO A CB 1 +ATOM 2735 C CG . PRO A 1 360 ? 114.457 32.894 27.460 1.00 18.45 ? ? ? ? ? ? 360 PRO A CG 1 +ATOM 2736 C CD . PRO A 1 360 ? 113.140 33.569 27.385 1.00 18.28 ? ? ? ? ? ? 360 PRO A CD 1 +ATOM 2737 N N . ALA A 1 361 ? 113.090 29.992 27.849 1.00 18.39 ? ? ? ? ? ? 361 ALA A N 1 +ATOM 2738 C CA . ALA A 1 361 ? 113.069 28.671 28.487 1.00 18.80 ? ? ? ? ? ? 361 ALA A CA 1 +ATOM 2739 C C . ALA A 1 361 ? 111.811 27.879 28.159 1.00 19.81 ? ? ? ? ? ? 361 ALA A C 1 +ATOM 2740 O O . ALA A 1 361 ? 111.866 26.656 28.017 1.00 20.05 ? ? ? ? ? ? 361 ALA A O 1 +ATOM 2741 C CB . ALA A 1 361 ? 113.217 28.802 29.976 1.00 17.27 ? ? ? ? ? ? 361 ALA A CB 1 +ATOM 2742 N N . ASN A 1 362 ? 110.682 28.582 28.042 1.00 21.52 ? ? ? ? ? ? 362 ASN A N 1 +ATOM 2743 C CA . ASN A 1 362 ? 109.396 27.961 27.709 1.00 21.62 ? ? ? ? ? ? 362 ASN A CA 1 +ATOM 2744 C C . ASN A 1 362 ? 109.439 27.493 26.268 1.00 22.23 ? ? ? ? ? ? 362 ASN A C 1 +ATOM 2745 O O . ASN A 1 362 ? 109.057 26.363 25.960 1.00 22.09 ? ? ? ? ? ? 362 ASN A O 1 +ATOM 2746 C CB . ASN A 1 362 ? 108.248 28.944 27.874 1.00 20.78 ? ? ? ? ? ? 362 ASN A CB 1 +ATOM 2747 C CG . ASN A 1 362 ? 107.964 29.266 29.319 1.00 22.64 ? ? ? ? ? ? 362 ASN A CG 1 +ATOM 2748 O OD1 . ASN A 1 362 ? 108.220 28.459 30.219 1.00 22.68 ? ? ? ? ? ? 362 ASN A OD1 1 +ATOM 2749 N ND2 . ASN A 1 362 ? 107.422 30.458 29.557 1.00 24.06 ? ? ? ? ? ? 362 ASN A ND2 1 +ATOM 2750 N N . ARG A 1 363 ? 109.906 28.366 25.386 1.00 21.92 ? ? ? ? ? ? 363 ARG A N 1 +ATOM 2751 C CA . ARG A 1 363 ? 110.016 28.012 23.985 1.00 22.55 ? ? ? ? ? ? 363 ARG A CA 1 +ATOM 2752 C C . ARG A 1 363 ? 110.928 26.795 23.812 1.00 22.81 ? ? ? ? ? ? 363 ARG A C 1 +ATOM 2753 O O . ARG A 1 363 ? 110.612 25.895 23.040 1.00 23.05 ? ? ? ? ? ? 363 ARG A O 1 +ATOM 2754 C CB . ARG A 1 363 ? 110.536 29.197 23.174 1.00 22.19 ? ? ? ? ? ? 363 ARG A CB 1 +ATOM 2755 C CG . ARG A 1 363 ? 109.441 29.960 22.450 1.00 24.44 ? ? ? ? ? ? 363 ARG A CG 1 +ATOM 2756 C CD . ARG A 1 363 ? 109.986 31.216 21.816 1.00 25.57 ? ? ? ? ? ? 363 ARG A CD 1 +ATOM 2757 N NE . ARG A 1 363 ? 110.401 32.135 22.859 1.00 27.44 ? ? ? ? ? ? 363 ARG A NE 1 +ATOM 2758 C CZ . ARG A 1 363 ? 111.481 32.895 22.812 1.00 27.71 ? ? ? ? ? ? 363 ARG A CZ 1 +ATOM 2759 N NH1 . ARG A 1 363 ? 112.285 32.851 21.763 1.00 26.65 ? ? ? ? ? ? 363 ARG A NH1 1 +ATOM 2760 N NH2 . ARG A 1 363 ? 111.742 33.703 23.826 1.00 28.32 ? ? ? ? ? ? 363 ARG A NH2 1 +ATOM 2761 N N . GLU A 1 364 ? 112.046 26.753 24.540 1.00 22.87 ? ? ? ? ? ? 364 GLU A N 1 +ATOM 2762 C CA . GLU A 1 364 ? 112.962 25.620 24.422 1.00 22.39 ? ? ? ? ? ? 364 GLU A CA 1 +ATOM 2763 C C . GLU A 1 364 ? 112.201 24.356 24.803 1.00 18.58 ? ? ? ? ? ? 364 GLU A C 1 +ATOM 2764 O O . GLU A 1 364 ? 112.289 23.348 24.131 1.00 18.23 ? ? ? ? ? ? 364 GLU A O 1 +ATOM 2765 C CB . GLU A 1 364 ? 114.204 25.781 25.318 1.00 26.05 ? ? ? ? ? ? 364 GLU A CB 1 +ATOM 2766 C CG . GLU A 1 364 ? 115.387 24.907 24.861 1.00 32.89 ? ? ? ? ? ? 364 GLU A CG 1 +ATOM 2767 C CD . GLU A 1 364 ? 116.328 24.434 25.995 1.00 36.71 ? ? ? ? ? ? 364 GLU A CD 1 +ATOM 2768 O OE1 . GLU A 1 364 ? 117.280 25.172 26.366 1.00 39.34 ? ? ? ? ? ? 364 GLU A OE1 1 +ATOM 2769 O OE2 . GLU A 1 364 ? 116.144 23.288 26.475 1.00 38.69 ? ? ? ? ? ? 364 GLU A OE2 1 +ATOM 2770 N N . LYS A 1 365 ? 111.415 24.441 25.862 1.00 16.14 ? ? ? ? ? ? 365 LYS A N 1 +ATOM 2771 C CA . LYS A 1 365 ? 110.636 23.308 26.320 1.00 13.69 ? ? ? ? ? ? 365 LYS A CA 1 +ATOM 2772 C C . LYS A 1 365 ? 109.632 22.870 25.267 1.00 13.73 ? ? ? ? ? ? 365 LYS A C 1 +ATOM 2773 O O . LYS A 1 365 ? 109.697 21.760 24.753 1.00 14.07 ? ? ? ? ? ? 365 LYS A O 1 +ATOM 2774 C CB . LYS A 1 365 ? 109.905 23.648 27.621 1.00 9.97 ? ? ? ? ? ? 365 LYS A CB 1 +ATOM 2775 C CG . LYS A 1 365 ? 109.133 22.478 28.144 1.00 8.28 ? ? ? ? ? ? 365 LYS A CG 1 +ATOM 2776 C CD . LYS A 1 365 ? 108.724 22.673 29.562 1.00 7.79 ? ? ? ? ? ? 365 LYS A CD 1 +ATOM 2777 C CE . LYS A 1 365 ? 107.655 23.721 29.712 1.00 9.31 ? ? ? ? ? ? 365 LYS A CE 1 +ATOM 2778 N NZ . LYS A 1 365 ? 107.265 23.846 31.152 1.00 11.91 ? ? ? ? ? ? 365 LYS A NZ 1 +ATOM 2779 N N . PHE A 1 366 ? 108.710 23.759 24.930 1.00 14.07 ? ? ? ? ? ? 366 PHE A N 1 +ATOM 2780 C CA . PHE A 1 366 ? 107.698 23.440 23.955 1.00 14.60 ? ? ? ? ? ? 366 PHE A CA 1 +ATOM 2781 C C . PHE A 1 366 ? 108.256 22.998 22.593 1.00 16.86 ? ? ? ? ? ? 366 PHE A C 1 +ATOM 2782 O O . PHE A 1 366 ? 107.798 21.983 22.050 1.00 18.37 ? ? ? ? ? ? 366 PHE A O 1 +ATOM 2783 C CB . PHE A 1 366 ? 106.684 24.587 23.847 1.00 12.55 ? ? ? ? ? ? 366 PHE A CB 1 +ATOM 2784 C CG . PHE A 1 366 ? 105.736 24.666 25.027 1.00 11.12 ? ? ? ? ? ? 366 PHE A CG 1 +ATOM 2785 C CD1 . PHE A 1 366 ? 106.061 25.401 26.155 1.00 11.70 ? ? ? ? ? ? 366 PHE A CD1 1 +ATOM 2786 C CD2 . PHE A 1 366 ? 104.553 23.958 25.030 1.00 10.48 ? ? ? ? ? ? 366 PHE A CD2 1 +ATOM 2787 C CE1 . PHE A 1 366 ? 105.227 25.421 27.265 1.00 10.61 ? ? ? ? ? ? 366 PHE A CE1 1 +ATOM 2788 C CE2 . PHE A 1 366 ? 103.720 23.970 26.128 1.00 10.29 ? ? ? ? ? ? 366 PHE A CE2 1 +ATOM 2789 C CZ . PHE A 1 366 ? 104.060 24.707 27.251 1.00 10.48 ? ? ? ? ? ? 366 PHE A CZ 1 +ATOM 2790 N N . ALA A 1 367 ? 109.278 23.685 22.077 1.00 17.25 ? ? ? ? ? ? 367 ALA A N 1 +ATOM 2791 C CA . ALA A 1 367 ? 109.869 23.327 20.771 1.00 17.83 ? ? ? ? ? ? 367 ALA A CA 1 +ATOM 2792 C C . ALA A 1 367 ? 110.432 21.912 20.783 1.00 17.97 ? ? ? ? ? ? 367 ALA A C 1 +ATOM 2793 O O . ALA A 1 367 ? 110.206 21.125 19.858 1.00 18.28 ? ? ? ? ? ? 367 ALA A O 1 +ATOM 2794 C CB . ALA A 1 367 ? 110.972 24.318 20.372 1.00 16.38 ? ? ? ? ? ? 367 ALA A CB 1 +ATOM 2795 N N . LYS A 1 368 ? 111.158 21.591 21.850 1.00 17.40 ? ? ? ? ? ? 368 LYS A N 1 +ATOM 2796 C CA . LYS A 1 368 ? 111.753 20.282 22.004 1.00 15.10 ? ? ? ? ? ? 368 LYS A CA 1 +ATOM 2797 C C . LYS A 1 368 ? 110.642 19.270 21.942 1.00 14.63 ? ? ? ? ? ? 368 LYS A C 1 +ATOM 2798 O O . LYS A 1 368 ? 110.611 18.435 21.056 1.00 13.76 ? ? ? ? ? ? 368 LYS A O 1 +ATOM 2799 C CB . LYS A 1 368 ? 112.458 20.181 23.346 1.00 14.86 ? ? ? ? ? ? 368 LYS A CB 1 +ATOM 2800 C CG . LYS A 1 368 ? 113.088 18.832 23.576 1.00 17.03 ? ? ? ? ? ? 368 LYS A CG 1 +ATOM 2801 C CD . LYS A 1 368 ? 114.089 18.856 24.696 1.00 17.79 ? ? ? ? ? ? 368 LYS A CD 1 +ATOM 2802 C CE . LYS A 1 368 ? 114.809 17.538 24.732 1.00 21.58 ? ? ? ? ? ? 368 LYS A CE 1 +ATOM 2803 N NZ . LYS A 1 368 ? 113.856 16.405 25.004 1.00 25.66 ? ? ? ? ? ? 368 LYS A NZ 1 +ATOM 2804 N N . ALA A 1 369 ? 109.678 19.425 22.843 1.00 15.54 ? ? ? ? ? ? 369 ALA A N 1 +ATOM 2805 C CA . ALA A 1 369 ? 108.528 18.538 22.936 1.00 12.83 ? ? ? ? ? ? 369 ALA A CA 1 +ATOM 2806 C C . ALA A 1 369 ? 107.822 18.359 21.609 1.00 12.24 ? ? ? ? ? ? 369 ALA A C 1 +ATOM 2807 O O . ALA A 1 369 ? 107.604 17.244 21.178 1.00 13.35 ? ? ? ? ? ? 369 ALA A O 1 +ATOM 2808 C CB . ALA A 1 369 ? 107.569 19.058 23.967 1.00 11.92 ? ? ? ? ? ? 369 ALA A CB 1 +ATOM 2809 N N . TRP A 1 370 ? 107.484 19.449 20.940 1.00 12.29 ? ? ? ? ? ? 370 TRP A N 1 +ATOM 2810 C CA . TRP A 1 370 ? 106.782 19.347 19.660 1.00 13.57 ? ? ? ? ? ? 370 TRP A CA 1 +ATOM 2811 C C . TRP A 1 370 ? 107.718 18.926 18.536 1.00 14.64 ? ? ? ? ? ? 370 TRP A C 1 +ATOM 2812 O O . TRP A 1 370 ? 107.317 18.825 17.380 1.00 14.95 ? ? ? ? ? ? 370 TRP A O 1 +ATOM 2813 C CB . TRP A 1 370 ? 106.006 20.661 19.344 1.00 10.68 ? ? ? ? ? ? 370 TRP A CB 1 +ATOM 2814 C CG . TRP A 1 370 ? 105.028 20.947 20.428 1.00 8.59 ? ? ? ? ? ? 370 TRP A CG 1 +ATOM 2815 C CD1 . TRP A 1 370 ? 104.693 20.102 21.442 1.00 6.80 ? ? ? ? ? ? 370 TRP A CD1 1 +ATOM 2816 C CD2 . TRP A 1 370 ? 104.348 22.185 20.705 1.00 10.17 ? ? ? ? ? ? 370 TRP A CD2 1 +ATOM 2817 N NE1 . TRP A 1 370 ? 103.878 20.729 22.345 1.00 8.23 ? ? ? ? ? ? 370 TRP A NE1 1 +ATOM 2818 C CE2 . TRP A 1 370 ? 103.646 22.008 21.925 1.00 8.75 ? ? ? ? ? ? 370 TRP A CE2 1 +ATOM 2819 C CE3 . TRP A 1 370 ? 104.267 23.426 20.053 1.00 10.58 ? ? ? ? ? ? 370 TRP A CE3 1 +ATOM 2820 C CZ2 . TRP A 1 370 ? 102.877 23.026 22.504 1.00 5.96 ? ? ? ? ? ? 370 TRP A CZ2 1 +ATOM 2821 C CZ3 . TRP A 1 370 ? 103.489 24.450 20.643 1.00 7.13 ? ? ? ? ? ? 370 TRP A CZ3 1 +ATOM 2822 C CH2 . TRP A 1 370 ? 102.814 24.234 21.851 1.00 5.42 ? ? ? ? ? ? 370 TRP A CH2 1 +ATOM 2823 N N . GLY A 1 371 ? 108.972 18.683 18.890 1.00 16.58 ? ? ? ? ? ? 371 GLY A N 1 +ATOM 2824 C CA . GLY A 1 371 ? 109.957 18.266 17.916 1.00 19.54 ? ? ? ? ? ? 371 GLY A CA 1 +ATOM 2825 C C . GLY A 1 371 ? 110.119 19.303 16.838 1.00 22.09 ? ? ? ? ? ? 371 GLY A C 1 +ATOM 2826 O O . GLY A 1 371 ? 110.188 18.980 15.659 1.00 23.89 ? ? ? ? ? ? 371 GLY A O 1 +ATOM 2827 N N . VAL A 1 372 ? 110.138 20.562 17.242 1.00 24.36 ? ? ? ? ? ? 372 VAL A N 1 +ATOM 2828 C CA . VAL A 1 372 ? 110.288 21.670 16.313 1.00 26.05 ? ? ? ? ? ? 372 VAL A CA 1 +ATOM 2829 C C . VAL A 1 372 ? 111.535 22.494 16.710 1.00 26.67 ? ? ? ? ? ? 372 VAL A C 1 +ATOM 2830 O O . VAL A 1 372 ? 111.937 22.491 17.878 1.00 27.01 ? ? ? ? ? ? 372 VAL A O 1 +ATOM 2831 C CB . VAL A 1 372 ? 108.962 22.473 16.243 1.00 24.81 ? ? ? ? ? ? 372 VAL A CB 1 +ATOM 2832 C CG1 . VAL A 1 372 ? 109.197 23.953 16.449 1.00 25.11 ? ? ? ? ? ? 372 VAL A CG1 1 +ATOM 2833 C CG2 . VAL A 1 372 ? 108.278 22.196 14.909 1.00 23.31 ? ? ? ? ? ? 372 VAL A CG2 1 +ATOM 2834 N N . GLU A 1 373 ? 112.165 23.144 15.731 1.00 27.12 ? ? ? ? ? ? 373 GLU A N 1 +ATOM 2835 C CA . GLU A 1 373 ? 113.396 23.907 15.967 1.00 27.89 ? ? ? ? ? ? 373 GLU A CA 1 +ATOM 2836 C C . GLU A 1 373 ? 113.199 25.224 16.693 1.00 26.47 ? ? ? ? ? ? 373 GLU A C 1 +ATOM 2837 O O . GLU A 1 373 ? 113.948 25.548 17.614 1.00 26.18 ? ? ? ? ? ? 373 GLU A O 1 +ATOM 2838 C CB . GLU A 1 373 ? 114.176 24.119 14.661 1.00 30.13 ? ? ? ? ? ? 373 GLU A CB 1 +ATOM 2839 C CG . GLU A 1 373 ? 115.624 24.532 14.891 1.00 37.53 ? ? ? ? ? ? 373 GLU A CG 1 +ATOM 2840 C CD . GLU A 1 373 ? 116.575 24.204 13.726 1.00 40.79 ? ? ? ? ? ? 373 GLU A CD 1 +ATOM 2841 O OE1 . GLU A 1 373 ? 116.739 25.067 12.828 1.00 42.75 ? ? ? ? ? ? 373 GLU A OE1 1 +ATOM 2842 O OE2 . GLU A 1 373 ? 117.188 23.103 13.736 1.00 41.93 ? ? ? ? ? ? 373 GLU A OE2 1 +ATOM 2843 N N . SER A 1 374 ? 112.198 25.986 16.271 1.00 25.58 ? ? ? ? ? ? 374 SER A N 1 +ATOM 2844 C CA . SER A 1 374 ? 111.890 27.266 16.899 1.00 23.25 ? ? ? ? ? ? 374 SER A CA 1 +ATOM 2845 C C . SER A 1 374 ? 110.394 27.450 16.950 1.00 21.03 ? ? ? ? ? ? 374 SER A C 1 +ATOM 2846 O O . SER A 1 374 ? 109.675 27.070 16.013 1.00 21.53 ? ? ? ? ? ? 374 SER A O 1 +ATOM 2847 C CB . SER A 1 374 ? 112.462 28.447 16.101 1.00 23.07 ? ? ? ? ? ? 374 SER A CB 1 +ATOM 2848 O OG . SER A 1 374 ? 113.871 28.384 16.000 1.00 27.85 ? ? ? ? ? ? 374 SER A OG 1 +ATOM 2849 N N . LEU A 1 375 ? 109.922 27.969 18.072 1.00 17.32 ? ? ? ? ? ? 375 LEU A N 1 +ATOM 2850 C CA . LEU A 1 375 ? 108.516 28.287 18.208 1.00 15.41 ? ? ? ? ? ? 375 LEU A CA 1 +ATOM 2851 C C . LEU A 1 375 ? 108.554 29.820 18.149 1.00 15.61 ? ? ? ? ? ? 375 LEU A C 1 +ATOM 2852 O O . LEU A 1 375 ? 109.527 30.424 18.608 1.00 15.30 ? ? ? ? ? ? 375 LEU A O 1 +ATOM 2853 C CB . LEU A 1 375 ? 107.974 27.795 19.540 1.00 11.35 ? ? ? ? ? ? 375 LEU A CB 1 +ATOM 2854 C CG . LEU A 1 375 ? 107.865 26.281 19.591 1.00 7.63 ? ? ? ? ? ? 375 LEU A CG 1 +ATOM 2855 C CD1 . LEU A 1 375 ? 107.527 25.864 20.974 1.00 8.78 ? ? ? ? ? ? 375 LEU A CD1 1 +ATOM 2856 C CD2 . LEU A 1 375 ? 106.831 25.800 18.626 1.00 6.43 ? ? ? ? ? ? 375 LEU A CD2 1 +ATOM 2857 N N . PRO A 1 376 ? 107.606 30.452 17.428 1.00 15.01 ? ? ? ? ? ? 376 PRO A N 1 +ATOM 2858 C CA . PRO A 1 376 ? 107.623 31.909 17.360 1.00 14.38 ? ? ? ? ? ? 376 PRO A CA 1 +ATOM 2859 C C . PRO A 1 376 ? 107.685 32.539 18.744 1.00 14.47 ? ? ? ? ? ? 376 PRO A C 1 +ATOM 2860 O O . PRO A 1 376 ? 107.153 31.980 19.706 1.00 14.98 ? ? ? ? ? ? 376 PRO A O 1 +ATOM 2861 C CB . PRO A 1 376 ? 106.327 32.231 16.603 1.00 13.06 ? ? ? ? ? ? 376 PRO A CB 1 +ATOM 2862 C CG . PRO A 1 376 ? 105.505 31.028 16.750 1.00 13.90 ? ? ? ? ? ? 376 PRO A CG 1 +ATOM 2863 C CD . PRO A 1 376 ? 106.509 29.928 16.607 1.00 14.69 ? ? ? ? ? ? 376 PRO A CD 1 +ATOM 2864 N N . ALA A 1 377 ? 108.370 33.681 18.839 1.00 14.22 ? ? ? ? ? ? 377 ALA A N 1 +ATOM 2865 C CA . ALA A 1 377 ? 108.538 34.390 20.110 1.00 13.15 ? ? ? ? ? ? 377 ALA A CA 1 +ATOM 2866 C C . ALA A 1 377 ? 107.761 35.685 20.219 1.00 12.71 ? ? ? ? ? ? 377 ALA A C 1 +ATOM 2867 O O . ALA A 1 377 ? 107.549 36.213 21.308 1.00 13.19 ? ? ? ? ? ? 377 ALA A O 1 +ATOM 2868 C CB . ALA A 1 377 ? 109.978 34.644 20.361 1.00 13.48 ? ? ? ? ? ? 377 ALA A CB 1 +ATOM 2869 N N . HIS A 1 378 ? 107.336 36.211 19.088 1.00 12.72 ? ? ? ? ? ? 378 HIS A N 1 +ATOM 2870 C CA . HIS A 1 378 ? 106.570 37.436 19.108 1.00 13.18 ? ? ? ? ? ? 378 HIS A CA 1 +ATOM 2871 C C . HIS A 1 378 ? 105.072 37.105 19.198 1.00 15.73 ? ? ? ? ? ? 378 HIS A C 1 +ATOM 2872 O O . HIS A 1 378 ? 104.580 36.136 18.574 1.00 15.89 ? ? ? ? ? ? 378 HIS A O 1 +ATOM 2873 C CB . HIS A 1 378 ? 106.863 38.252 17.865 1.00 12.46 ? ? ? ? ? ? 378 HIS A CB 1 +ATOM 2874 C CG . HIS A 1 378 ? 106.498 37.556 16.602 1.00 13.88 ? ? ? ? ? ? 378 HIS A CG 1 +ATOM 2875 N ND1 . HIS A 1 378 ? 107.151 36.424 16.165 1.00 16.59 ? ? ? ? ? ? 378 HIS A ND1 1 +ATOM 2876 C CD2 . HIS A 1 378 ? 105.532 37.809 15.691 1.00 14.49 ? ? ? ? ? ? 378 HIS A CD2 1 +ATOM 2877 C CE1 . HIS A 1 378 ? 106.604 36.011 15.039 1.00 16.90 ? ? ? ? ? ? 378 HIS A CE1 1 +ATOM 2878 N NE2 . HIS A 1 378 ? 105.619 36.836 14.731 1.00 15.93 ? ? ? ? ? ? 378 HIS A NE2 1 +ATOM 2879 N N . THR A 1 379 ? 104.369 37.917 19.989 1.00 16.37 ? ? ? ? ? ? 379 THR A N 1 +ATOM 2880 C CA . THR A 1 379 ? 102.946 37.788 20.232 1.00 14.64 ? ? ? ? ? ? 379 THR A CA 1 +ATOM 2881 C C . THR A 1 379 ? 102.157 37.781 18.958 1.00 14.49 ? ? ? ? ? ? 379 THR A C 1 +ATOM 2882 O O . THR A 1 379 ? 102.463 38.498 18.022 1.00 13.42 ? ? ? ? ? ? 379 THR A O 1 +ATOM 2883 C CB . THR A 1 379 ? 102.467 38.910 21.129 1.00 14.28 ? ? ? ? ? ? 379 THR A CB 1 +ATOM 2884 O OG1 . THR A 1 379 ? 103.287 38.920 22.294 1.00 14.61 ? ? ? ? ? ? 379 THR A OG1 1 +ATOM 2885 C CG2 . THR A 1 379 ? 101.016 38.689 21.573 1.00 16.63 ? ? ? ? ? ? 379 THR A CG2 1 +ATOM 2886 N N . GLY A 1 380 ? 101.139 36.945 18.929 1.00 16.50 ? ? ? ? ? ? 380 GLY A N 1 +ATOM 2887 C CA . GLY A 1 380 ? 100.328 36.836 17.744 1.00 19.00 ? ? ? ? ? ? 380 GLY A CA 1 +ATOM 2888 C C . GLY A 1 380 ? 99.299 37.926 17.658 1.00 19.39 ? ? ? ? ? ? 380 GLY A C 1 +ATOM 2889 O O . GLY A 1 380 ? 99.252 38.815 18.504 1.00 18.79 ? ? ? ? ? ? 380 GLY A O 1 +ATOM 2890 N N . TYR A 1 381 ? 98.481 37.837 16.617 1.00 20.65 ? ? ? ? ? ? 381 TYR A N 1 +ATOM 2891 C CA . TYR A 1 381 ? 97.412 38.783 16.377 1.00 21.45 ? ? ? ? ? ? 381 TYR A CA 1 +ATOM 2892 C C . TYR A 1 381 ? 96.240 38.413 17.263 1.00 21.11 ? ? ? ? ? ? 381 TYR A C 1 +ATOM 2893 O O . TYR A 1 381 ? 96.016 37.245 17.566 1.00 22.48 ? ? ? ? ? ? 381 TYR A O 1 +ATOM 2894 C CB . TYR A 1 381 ? 96.983 38.742 14.907 1.00 21.14 ? ? ? ? ? ? 381 TYR A CB 1 +ATOM 2895 C CG . TYR A 1 381 ? 97.981 39.363 13.967 1.00 22.41 ? ? ? ? ? ? 381 TYR A CG 1 +ATOM 2896 C CD1 . TYR A 1 381 ? 98.665 40.522 14.314 1.00 21.13 ? ? ? ? ? ? 381 TYR A CD1 1 +ATOM 2897 C CD2 . TYR A 1 381 ? 98.245 38.785 12.726 1.00 23.85 ? ? ? ? ? ? 381 TYR A CD2 1 +ATOM 2898 C CE1 . TYR A 1 381 ? 99.583 41.082 13.456 1.00 22.88 ? ? ? ? ? ? 381 TYR A CE1 1 +ATOM 2899 C CE2 . TYR A 1 381 ? 99.161 39.338 11.854 1.00 22.62 ? ? ? ? ? ? 381 TYR A CE2 1 +ATOM 2900 C CZ . TYR A 1 381 ? 99.832 40.486 12.218 1.00 23.64 ? ? ? ? ? ? 381 TYR A CZ 1 +ATOM 2901 O OH . TYR A 1 381 ? 100.764 41.038 11.354 1.00 25.24 ? ? ? ? ? ? 381 TYR A OH 1 +ATOM 2902 N N . ARG A 1 382 ? 95.502 39.416 17.692 1.00 21.43 ? ? ? ? ? ? 382 ARG A N 1 +ATOM 2903 C CA . ARG A 1 382 ? 94.343 39.187 18.530 1.00 23.16 ? ? ? ? ? ? 382 ARG A CA 1 +ATOM 2904 C C . ARG A 1 382 ? 93.146 39.107 17.566 1.00 22.91 ? ? ? ? ? ? 382 ARG A C 1 +ATOM 2905 O O . ARG A 1 382 ? 93.035 39.917 16.644 1.00 23.20 ? ? ? ? ? ? 382 ARG A O 1 +ATOM 2906 C CB . ARG A 1 382 ? 94.194 40.352 19.513 1.00 23.68 ? ? ? ? ? ? 382 ARG A CB 1 +ATOM 2907 C CG . ARG A 1 382 ? 95.512 40.921 19.982 1.00 24.56 ? ? ? ? ? ? 382 ARG A CG 1 +ATOM 2908 C CD . ARG A 1 382 ? 95.853 40.509 21.373 1.00 27.73 ? ? ? ? ? ? 382 ARG A CD 1 +ATOM 2909 N NE . ARG A 1 382 ? 96.394 41.653 22.106 1.00 32.20 ? ? ? ? ? ? 382 ARG A NE 1 +ATOM 2910 C CZ . ARG A 1 382 ? 97.084 41.573 23.243 1.00 34.68 ? ? ? ? ? ? 382 ARG A CZ 1 +ATOM 2911 N NH1 . ARG A 1 382 ? 97.345 40.385 23.797 1.00 38.44 ? ? ? ? ? ? 382 ARG A NH1 1 +ATOM 2912 N NH2 . ARG A 1 382 ? 97.484 42.683 23.855 1.00 34.79 ? ? ? ? ? ? 382 ARG A NH2 1 +ATOM 2913 N N . ILE A 1 383 ? 92.253 38.146 17.772 1.00 21.99 ? ? ? ? ? ? 383 ILE A N 1 +ATOM 2914 C CA . ILE A 1 383 ? 91.111 37.995 16.884 1.00 20.95 ? ? ? ? ? ? 383 ILE A CA 1 +ATOM 2915 C C . ILE A 1 383 ? 90.260 39.267 16.725 1.00 21.15 ? ? ? ? ? ? 383 ILE A C 1 +ATOM 2916 O O . ILE A 1 383 ? 89.571 39.428 15.714 1.00 20.17 ? ? ? ? ? ? 383 ILE A O 1 +ATOM 2917 C CB . ILE A 1 383 ? 90.237 36.753 17.285 1.00 20.87 ? ? ? ? ? ? 383 ILE A CB 1 +ATOM 2918 C CG1 . ILE A 1 383 ? 89.161 36.464 16.234 1.00 20.01 ? ? ? ? ? ? 383 ILE A CG1 1 +ATOM 2919 C CG2 . ILE A 1 383 ? 89.598 36.964 18.626 1.00 19.31 ? ? ? ? ? ? 383 ILE A CG2 1 +ATOM 2920 C CD1 . ILE A 1 383 ? 89.708 36.078 14.888 1.00 18.53 ? ? ? ? ? ? 383 ILE A CD1 1 +ATOM 2921 N N . SER A 1 384 ? 90.296 40.171 17.706 1.00 21.95 ? ? ? ? ? ? 384 SER A N 1 +ATOM 2922 C CA . SER A 1 384 ? 89.517 41.417 17.601 1.00 21.90 ? ? ? ? ? ? 384 SER A CA 1 +ATOM 2923 C C . SER A 1 384 ? 90.120 42.400 16.586 1.00 22.68 ? ? ? ? ? ? 384 SER A C 1 +ATOM 2924 O O . SER A 1 384 ? 89.466 43.348 16.180 1.00 24.50 ? ? ? ? ? ? 384 SER A O 1 +ATOM 2925 C CB . SER A 1 384 ? 89.360 42.099 18.965 1.00 21.24 ? ? ? ? ? ? 384 SER A CB 1 +ATOM 2926 O OG . SER A 1 384 ? 90.596 42.568 19.468 1.00 20.36 ? ? ? ? ? ? 384 SER A OG 1 +ATOM 2927 N N . GLU A 1 385 ? 91.348 42.148 16.150 1.00 22.70 ? ? ? ? ? ? 385 GLU A N 1 +ATOM 2928 C CA . GLU A 1 385 ? 92.013 42.999 15.171 1.00 23.56 ? ? ? ? ? ? 385 GLU A CA 1 +ATOM 2929 C C . GLU A 1 385 ? 91.837 42.426 13.776 1.00 24.34 ? ? ? ? ? ? 385 GLU A C 1 +ATOM 2930 O O . GLU A 1 385 ? 92.342 43.009 12.804 1.00 25.88 ? ? ? ? ? ? 385 GLU A O 1 +ATOM 2931 C CB . GLU A 1 385 ? 93.523 43.041 15.422 1.00 24.62 ? ? ? ? ? ? 385 GLU A CB 1 +ATOM 2932 C CG . GLU A 1 385 ? 93.930 43.305 16.853 1.00 28.75 ? ? ? ? ? ? 385 GLU A CG 1 +ATOM 2933 C CD . GLU A 1 385 ? 95.422 43.096 17.093 1.00 30.84 ? ? ? ? ? ? 385 GLU A CD 1 +ATOM 2934 O OE1 . GLU A 1 385 ? 96.085 42.412 16.269 1.00 30.79 ? ? ? ? ? ? 385 GLU A OE1 1 +ATOM 2935 O OE2 . GLU A 1 385 ? 95.926 43.611 18.123 1.00 31.77 ? ? ? ? ? ? 385 GLU A OE2 1 +ATOM 2936 N N . LEU A 1 386 ? 91.164 41.276 13.666 1.00 23.56 ? ? ? ? ? ? 386 LEU A N 1 +ATOM 2937 C CA . LEU A 1 386 ? 91.004 40.594 12.372 1.00 21.39 ? ? ? ? ? ? 386 LEU A CA 1 +ATOM 2938 C C . LEU A 1 386 ? 90.614 41.517 11.238 1.00 20.54 ? ? ? ? ? ? 386 LEU A C 1 +ATOM 2939 O O . LEU A 1 386 ? 91.349 41.640 10.265 1.00 20.93 ? ? ? ? ? ? 386 LEU A O 1 +ATOM 2940 C CB . LEU A 1 386 ? 90.039 39.393 12.465 1.00 20.11 ? ? ? ? ? ? 386 LEU A CB 1 +ATOM 2941 C CG . LEU A 1 386 ? 89.857 38.463 11.242 1.00 18.69 ? ? ? ? ? ? 386 LEU A CG 1 +ATOM 2942 C CD1 . LEU A 1 386 ? 91.183 37.958 10.697 1.00 16.14 ? ? ? ? ? ? 386 LEU A CD1 1 +ATOM 2943 C CD2 . LEU A 1 386 ? 88.968 37.295 11.603 1.00 15.61 ? ? ? ? ? ? 386 LEU A CD2 1 +ATOM 2944 N N . PRO A 1 387 ? 89.518 42.266 11.397 1.00 19.51 ? ? ? ? ? ? 387 PRO A N 1 +ATOM 2945 C CA . PRO A 1 387 ? 89.087 43.175 10.331 1.00 19.37 ? ? ? ? ? ? 387 PRO A CA 1 +ATOM 2946 C C . PRO A 1 387 ? 90.165 44.173 9.914 1.00 19.17 ? ? ? ? ? ? 387 PRO A C 1 +ATOM 2947 O O . PRO A 1 387 ? 90.237 44.567 8.752 1.00 20.79 ? ? ? ? ? ? 387 PRO A O 1 +ATOM 2948 C CB . PRO A 1 387 ? 87.883 43.890 10.955 1.00 19.69 ? ? ? ? ? ? 387 PRO A CB 1 +ATOM 2949 C CG . PRO A 1 387 ? 87.362 42.918 11.978 1.00 19.36 ? ? ? ? ? ? 387 PRO A CG 1 +ATOM 2950 C CD . PRO A 1 387 ? 88.647 42.390 12.579 1.00 19.46 ? ? ? ? ? ? 387 PRO A CD 1 +ATOM 2951 N N . HIS A 1 388 ? 91.009 44.571 10.858 1.00 18.63 ? ? ? ? ? ? 388 HIS A N 1 +ATOM 2952 C CA . HIS A 1 388 ? 92.063 45.529 10.578 1.00 17.97 ? ? ? ? ? ? 388 HIS A CA 1 +ATOM 2953 C C . HIS A 1 388 ? 93.238 44.918 9.845 1.00 19.34 ? ? ? ? ? ? 388 HIS A C 1 +ATOM 2954 O O . HIS A 1 388 ? 93.843 45.574 8.991 1.00 18.29 ? ? ? ? ? ? 388 HIS A O 1 +ATOM 2955 C CB . HIS A 1 388 ? 92.581 46.165 11.854 1.00 16.39 ? ? ? ? ? ? 388 HIS A CB 1 +ATOM 2956 C CG . HIS A 1 388 ? 93.877 46.880 11.664 1.00 16.72 ? ? ? ? ? ? 388 HIS A CG 1 +ATOM 2957 N ND1 . HIS A 1 388 ? 93.952 48.132 11.090 1.00 17.75 ? ? ? ? ? ? 388 HIS A ND1 1 +ATOM 2958 C CD2 . HIS A 1 388 ? 95.153 46.495 11.905 1.00 16.32 ? ? ? ? ? ? 388 HIS A CD2 1 +ATOM 2959 C CE1 . HIS A 1 388 ? 95.221 48.486 10.982 1.00 19.42 ? ? ? ? ? ? 388 HIS A CE1 1 +ATOM 2960 N NE2 . HIS A 1 388 ? 95.969 47.509 11.468 1.00 18.61 ? ? ? ? ? ? 388 HIS A NE2 1 +ATOM 2961 N N . ARG A 1 389 ? 93.631 43.716 10.273 1.00 20.76 ? ? ? ? ? ? 389 ARG A N 1 +ATOM 2962 C CA . ARG A 1 389 ? 94.755 42.990 9.673 1.00 20.67 ? ? ? ? ? ? 389 ARG A CA 1 +ATOM 2963 C C . ARG A 1 389 ? 94.343 42.532 8.281 1.00 21.23 ? ? ? ? ? ? 389 ARG A C 1 +ATOM 2964 O O . ARG A 1 389 ? 95.110 42.607 7.319 1.00 20.82 ? ? ? ? ? ? 389 ARG A O 1 +ATOM 2965 C CB . ARG A 1 389 ? 95.065 41.744 10.494 1.00 21.73 ? ? ? ? ? ? 389 ARG A CB 1 +ATOM 2966 C CG . ARG A 1 389 ? 95.352 41.971 11.950 1.00 22.04 ? ? ? ? ? ? 389 ARG A CG 1 +ATOM 2967 C CD . ARG A 1 389 ? 96.709 42.528 12.159 1.00 21.52 ? ? ? ? ? ? 389 ARG A CD 1 +ATOM 2968 N NE . ARG A 1 389 ? 96.797 43.053 13.505 1.00 24.80 ? ? ? ? ? ? 389 ARG A NE 1 +ATOM 2969 C CZ . ARG A 1 389 ? 97.826 43.738 13.976 1.00 25.56 ? ? ? ? ? ? 389 ARG A CZ 1 +ATOM 2970 N NH1 . ARG A 1 389 ? 98.880 43.972 13.208 1.00 26.44 ? ? ? ? ? ? 389 ARG A NH1 1 +ATOM 2971 N NH2 . ARG A 1 389 ? 97.770 44.242 15.198 1.00 25.66 ? ? ? ? ? ? 389 ARG A NH2 1 +ATOM 2972 N N . ALA A 1 390 ? 93.111 42.052 8.206 1.00 20.85 ? ? ? ? ? ? 390 ALA A N 1 +ATOM 2973 C CA . ALA A 1 390 ? 92.525 41.558 6.992 1.00 20.62 ? ? ? ? ? ? 390 ALA A CA 1 +ATOM 2974 C C . ALA A 1 390 ? 92.489 42.648 5.952 1.00 21.48 ? ? ? ? ? ? 390 ALA A C 1 +ATOM 2975 O O . ALA A 1 390 ? 92.852 42.441 4.801 1.00 22.89 ? ? ? ? ? ? 390 ALA A O 1 +ATOM 2976 C CB . ALA A 1 390 ? 91.137 41.089 7.285 1.00 20.67 ? ? ? ? ? ? 390 ALA A CB 1 +ATOM 2977 N N . ALA A 1 391 ? 92.043 43.823 6.360 1.00 23.00 ? ? ? ? ? ? 391 ALA A N 1 +ATOM 2978 C CA . ALA A 1 391 ? 91.942 44.945 5.433 1.00 23.13 ? ? ? ? ? ? 391 ALA A CA 1 +ATOM 2979 C C . ALA A 1 391 ? 93.301 45.353 4.946 1.00 22.04 ? ? ? ? ? ? 391 ALA A C 1 +ATOM 2980 O O . ALA A 1 391 ? 93.472 45.684 3.790 1.00 24.54 ? ? ? ? ? ? 391 ALA A O 1 +ATOM 2981 C CB . ALA A 1 391 ? 91.262 46.124 6.103 1.00 22.99 ? ? ? ? ? ? 391 ALA A CB 1 +ATOM 2982 N N . HIS A 1 392 ? 94.279 45.295 5.835 1.00 20.97 ? ? ? ? ? ? 392 HIS A N 1 +ATOM 2983 C CA . HIS A 1 392 ? 95.622 45.697 5.495 1.00 20.21 ? ? ? ? ? ? 392 HIS A CA 1 +ATOM 2984 C C . HIS A 1 392 ? 96.401 44.640 4.744 1.00 20.85 ? ? ? ? ? ? 392 HIS A C 1 +ATOM 2985 O O . HIS A 1 392 ? 97.517 44.893 4.305 1.00 22.58 ? ? ? ? ? ? 392 HIS A O 1 +ATOM 2986 C CB . HIS A 1 392 ? 96.370 46.128 6.754 1.00 19.33 ? ? ? ? ? ? 392 HIS A CB 1 +ATOM 2987 C CG . HIS A 1 392 ? 96.039 47.516 7.206 1.00 20.81 ? ? ? ? ? ? 392 HIS A CG 1 +ATOM 2988 N ND1 . HIS A 1 392 ? 96.923 48.565 7.101 1.00 23.52 ? ? ? ? ? ? 392 HIS A ND1 1 +ATOM 2989 C CD2 . HIS A 1 392 ? 94.917 48.033 7.764 1.00 22.61 ? ? ? ? ? ? 392 HIS A CD2 1 +ATOM 2990 C CE1 . HIS A 1 392 ? 96.365 49.668 7.574 1.00 23.53 ? ? ? ? ? ? 392 HIS A CE1 1 +ATOM 2991 N NE2 . HIS A 1 392 ? 95.146 49.370 7.981 1.00 22.70 ? ? ? ? ? ? 392 HIS A NE2 1 +ATOM 2992 N N . GLY A 1 393 ? 95.821 43.456 4.588 1.00 21.10 ? ? ? ? ? ? 393 GLY A N 1 +ATOM 2993 C CA . GLY A 1 393 ? 96.516 42.385 3.890 1.00 20.38 ? ? ? ? ? ? 393 GLY A CA 1 +ATOM 2994 C C . GLY A 1 393 ? 97.604 41.837 4.787 1.00 20.62 ? ? ? ? ? ? 393 GLY A C 1 +ATOM 2995 O O . GLY A 1 393 ? 98.586 41.241 4.338 1.00 22.41 ? ? ? ? ? ? 393 GLY A O 1 +ATOM 2996 N N . GLU A 1 394 ? 97.424 42.064 6.076 1.00 19.26 ? ? ? ? ? ? 394 GLU A N 1 +ATOM 2997 C CA . GLU A 1 394 ? 98.357 41.620 7.079 1.00 19.22 ? ? ? ? ? ? 394 GLU A CA 1 +ATOM 2998 C C . GLU A 1 394 ? 98.035 40.188 7.434 1.00 17.83 ? ? ? ? ? ? 394 GLU A C 1 +ATOM 2999 O O . GLU A 1 394 ? 98.892 39.459 7.909 1.00 19.33 ? ? ? ? ? ? 394 GLU A O 1 +ATOM 3000 C CB . GLU A 1 394 ? 98.192 42.497 8.294 1.00 21.88 ? ? ? ? ? ? 394 GLU A CB 1 +ATOM 3001 C CG . GLU A 1 394 ? 99.414 42.651 9.119 1.00 25.12 ? ? ? ? ? ? 394 GLU A CG 1 +ATOM 3002 C CD . GLU A 1 394 ? 99.473 44.028 9.706 1.00 27.34 ? ? ? ? ? ? 394 GLU A CD 1 +ATOM 3003 O OE1 . GLU A 1 394 ? 98.588 44.373 10.517 1.00 28.09 ? ? ? ? ? ? 394 GLU A OE1 1 +ATOM 3004 O OE2 . GLU A 1 394 ? 100.376 44.785 9.308 1.00 31.60 ? ? ? ? ? ? 394 GLU A OE2 1 +ATOM 3005 N N . VAL A 1 395 ? 96.771 39.819 7.263 1.00 16.11 ? ? ? ? ? ? 395 VAL A N 1 +ATOM 3006 C CA . VAL A 1 395 ? 96.267 38.473 7.521 1.00 14.17 ? ? ? ? ? ? 395 VAL A CA 1 +ATOM 3007 C C . VAL A 1 395 ? 95.499 38.082 6.252 1.00 15.06 ? ? ? ? ? ? 395 VAL A C 1 +ATOM 3008 O O . VAL A 1 395 ? 94.864 38.929 5.630 1.00 14.66 ? ? ? ? ? ? 395 VAL A O 1 +ATOM 3009 C CB . VAL A 1 395 ? 95.375 38.447 8.760 1.00 12.17 ? ? ? ? ? ? 395 VAL A CB 1 +ATOM 3010 C CG1 . VAL A 1 395 ? 94.562 37.203 8.788 1.00 11.61 ? ? ? ? ? ? 395 VAL A CG1 1 +ATOM 3011 C CG2 . VAL A 1 395 ? 96.232 38.524 10.005 1.00 10.86 ? ? ? ? ? ? 395 VAL A CG2 1 +ATOM 3012 N N . ARG A 1 396 ? 95.591 36.820 5.844 1.00 16.75 ? ? ? ? ? ? 396 ARG A N 1 +ATOM 3013 C CA . ARG A 1 396 ? 94.965 36.354 4.606 1.00 18.92 ? ? ? ? ? ? 396 ARG A CA 1 +ATOM 3014 C C . ARG A 1 396 ? 94.026 35.145 4.664 1.00 18.41 ? ? ? ? ? ? 396 ARG A C 1 +ATOM 3015 O O . ARG A 1 396 ? 93.382 34.788 3.658 1.00 18.51 ? ? ? ? ? ? 396 ARG A O 1 +ATOM 3016 C CB . ARG A 1 396 ? 96.041 36.125 3.535 1.00 21.32 ? ? ? ? ? ? 396 ARG A CB 1 +ATOM 3017 C CG . ARG A 1 396 ? 96.583 37.441 2.986 1.00 23.69 ? ? ? ? ? ? 396 ARG A CG 1 +ATOM 3018 C CD . ARG A 1 396 ? 97.775 37.254 2.093 1.00 25.41 ? ? ? ? ? ? 396 ARG A CD 1 +ATOM 3019 N NE . ARG A 1 396 ? 98.411 38.549 1.931 1.00 29.67 ? ? ? ? ? ? 396 ARG A NE 1 +ATOM 3020 C CZ . ARG A 1 396 ? 98.706 39.132 0.770 1.00 31.35 ? ? ? ? ? ? 396 ARG A CZ 1 +ATOM 3021 N NH1 . ARG A 1 396 ? 98.448 38.541 -0.395 1.00 29.34 ? ? ? ? ? ? 396 ARG A NH1 1 +ATOM 3022 N NH2 . ARG A 1 396 ? 99.254 40.341 0.786 1.00 32.99 ? ? ? ? ? ? 396 ARG A NH2 1 +ATOM 3023 N N . ALA A 1 397 ? 93.915 34.557 5.846 1.00 15.67 ? ? ? ? ? ? 397 ALA A N 1 +ATOM 3024 C CA . ALA A 1 397 ? 93.066 33.408 6.035 1.00 14.37 ? ? ? ? ? ? 397 ALA A CA 1 +ATOM 3025 C C . ALA A 1 397 ? 92.801 33.302 7.513 1.00 14.80 ? ? ? ? ? ? 397 ALA A C 1 +ATOM 3026 O O . ALA A 1 397 ? 93.649 33.676 8.327 1.00 17.16 ? ? ? ? ? ? 397 ALA A O 1 +ATOM 3027 C CB . ALA A 1 397 ? 93.763 32.162 5.540 1.00 14.11 ? ? ? ? ? ? 397 ALA A CB 1 +ATOM 3028 N N . ALA A 1 398 ? 91.615 32.840 7.873 1.00 13.40 ? ? ? ? ? ? 398 ALA A N 1 +ATOM 3029 C CA . ALA A 1 398 ? 91.292 32.680 9.275 1.00 14.32 ? ? ? ? ? ? 398 ALA A CA 1 +ATOM 3030 C C . ALA A 1 398 ? 90.713 31.303 9.477 1.00 14.19 ? ? ? ? ? ? 398 ALA A C 1 +ATOM 3031 O O . ALA A 1 398 ? 89.873 30.851 8.693 1.00 17.26 ? ? ? ? ? ? 398 ALA A O 1 +ATOM 3032 C CB . ALA A 1 398 ? 90.299 33.742 9.742 1.00 13.85 ? ? ? ? ? ? 398 ALA A CB 1 +ATOM 3033 N N . TYR A 1 399 ? 91.175 30.631 10.516 1.00 11.92 ? ? ? ? ? ? 399 TYR A N 1 +ATOM 3034 C CA . TYR A 1 399 ? 90.685 29.312 10.830 1.00 10.66 ? ? ? ? ? ? 399 TYR A CA 1 +ATOM 3035 C C . TYR A 1 399 ? 89.814 29.549 12.053 1.00 10.08 ? ? ? ? ? ? 399 TYR A C 1 +ATOM 3036 O O . TYR A 1 399 ? 90.258 29.354 13.178 1.00 11.34 ? ? ? ? ? ? 399 TYR A O 1 +ATOM 3037 C CB . TYR A 1 399 ? 91.869 28.378 11.141 1.00 9.35 ? ? ? ? ? ? 399 TYR A CB 1 +ATOM 3038 C CG . TYR A 1 399 ? 91.515 26.915 11.270 1.00 6.74 ? ? ? ? ? ? 399 TYR A CG 1 +ATOM 3039 C CD1 . TYR A 1 399 ? 90.187 26.510 11.379 1.00 7.90 ? ? ? ? ? ? 399 TYR A CD1 1 +ATOM 3040 C CD2 . TYR A 1 399 ? 92.505 25.937 11.314 1.00 5.35 ? ? ? ? ? ? 399 TYR A CD2 1 +ATOM 3041 C CE1 . TYR A 1 399 ? 89.848 25.175 11.538 1.00 8.03 ? ? ? ? ? ? 399 TYR A CE1 1 +ATOM 3042 C CE2 . TYR A 1 399 ? 92.180 24.592 11.468 1.00 6.29 ? ? ? ? ? ? 399 TYR A CE2 1 +ATOM 3043 C CZ . TYR A 1 399 ? 90.845 24.229 11.587 1.00 8.45 ? ? ? ? ? ? 399 TYR A CZ 1 +ATOM 3044 O OH . TYR A 1 399 ? 90.490 22.934 11.836 1.00 10.76 ? ? ? ? ? ? 399 TYR A OH 1 +ATOM 3045 N N . ILE A 1 400 ? 88.603 30.050 11.825 1.00 9.05 ? ? ? ? ? ? 400 ILE A N 1 +ATOM 3046 C CA . ILE A 1 400 ? 87.649 30.334 12.892 1.00 6.73 ? ? ? ? ? ? 400 ILE A CA 1 +ATOM 3047 C C . ILE A 1 400 ? 86.973 29.063 13.381 1.00 8.12 ? ? ? ? ? ? 400 ILE A C 1 +ATOM 3048 O O . ILE A 1 400 ? 86.272 28.387 12.624 1.00 9.84 ? ? ? ? ? ? 400 ILE A O 1 +ATOM 3049 C CB . ILE A 1 400 ? 86.586 31.316 12.409 1.00 5.14 ? ? ? ? ? ? 400 ILE A CB 1 +ATOM 3050 C CG1 . ILE A 1 400 ? 87.216 32.700 12.230 1.00 4.09 ? ? ? ? ? ? 400 ILE A CG1 1 +ATOM 3051 C CG2 . ILE A 1 400 ? 85.399 31.332 13.359 1.00 4.53 ? ? ? ? ? ? 400 ILE A CG2 1 +ATOM 3052 C CD1 . ILE A 1 400 ? 86.875 33.348 10.933 1.00 3.81 ? ? ? ? ? ? 400 ILE A CD1 1 +ATOM 3053 N N . MET A 1 401 ? 87.203 28.718 14.641 1.00 8.26 ? ? ? ? ? ? 401 MET A N 1 +ATOM 3054 C CA . MET A 1 401 ? 86.610 27.527 15.209 1.00 9.87 ? ? ? ? ? ? 401 MET A CA 1 +ATOM 3055 C C . MET A 1 401 ? 85.667 27.908 16.349 1.00 12.15 ? ? ? ? ? ? 401 MET A C 1 +ATOM 3056 O O . MET A 1 401 ? 85.870 28.914 17.026 1.00 14.59 ? ? ? ? ? ? 401 MET A O 1 +ATOM 3057 C CB . MET A 1 401 ? 87.704 26.586 15.713 1.00 9.53 ? ? ? ? ? ? 401 MET A CB 1 +ATOM 3058 C CG . MET A 1 401 ? 87.193 25.376 16.510 1.00 9.40 ? ? ? ? ? ? 401 MET A CG 1 +ATOM 3059 S SD . MET A 1 401 ? 88.529 24.285 17.044 1.00 8.39 ? ? ? ? ? ? 401 MET A SD 1 +ATOM 3060 C CE . MET A 1 401 ? 89.008 25.066 18.606 1.00 7.37 ? ? ? ? ? ? 401 MET A CE 1 +ATOM 3061 N N . GLY A 1 402 ? 84.594 27.141 16.493 1.00 11.87 ? ? ? ? ? ? 402 GLY A N 1 +ATOM 3062 C CA . GLY A 1 402 ? 83.624 27.351 17.548 1.00 11.72 ? ? ? ? ? ? 402 GLY A CA 1 +ATOM 3063 C C . GLY A 1 402 ? 83.281 28.760 17.953 1.00 12.52 ? ? ? ? ? ? 402 GLY A C 1 +ATOM 3064 O O . GLY A 1 402 ? 83.252 29.079 19.156 1.00 11.60 ? ? ? ? ? ? 402 GLY A O 1 +ATOM 3065 N N . GLU A 1 403 ? 83.002 29.604 16.963 1.00 13.98 ? ? ? ? ? ? 403 GLU A N 1 +ATOM 3066 C CA . GLU A 1 403 ? 82.639 31.001 17.233 1.00 14.07 ? ? ? ? ? ? 403 GLU A CA 1 +ATOM 3067 C C . GLU A 1 403 ? 81.666 31.559 16.211 1.00 14.20 ? ? ? ? ? ? 403 GLU A C 1 +ATOM 3068 O O . GLU A 1 403 ? 81.621 31.097 15.073 1.00 13.09 ? ? ? ? ? ? 403 GLU A O 1 +ATOM 3069 C CB . GLU A 1 403 ? 83.863 31.888 17.202 1.00 12.91 ? ? ? ? ? ? 403 GLU A CB 1 +ATOM 3070 C CG . GLU A 1 403 ? 84.916 31.538 18.179 1.00 14.27 ? ? ? ? ? ? 403 GLU A CG 1 +ATOM 3071 C CD . GLU A 1 403 ? 85.936 32.634 18.298 1.00 17.75 ? ? ? ? ? ? 403 GLU A CD 1 +ATOM 3072 O OE1 . GLU A 1 403 ? 85.881 33.567 17.442 1.00 18.36 ? ? ? ? ? ? 403 GLU A OE1 1 +ATOM 3073 O OE2 . GLU A 1 403 ? 86.768 32.569 19.253 1.00 17.28 ? ? ? ? ? ? 403 GLU A OE2 1 +ATOM 3074 N N . ASP A 1 404 ? 80.929 32.592 16.609 1.00 15.10 ? ? ? ? ? ? 404 ASP A N 1 +ATOM 3075 C CA . ASP A 1 404 ? 79.995 33.234 15.704 1.00 15.95 ? ? ? ? ? ? 404 ASP A CA 1 +ATOM 3076 C C . ASP A 1 404 ? 80.224 34.731 15.629 1.00 17.63 ? ? ? ? ? ? 404 ASP A C 1 +ATOM 3077 O O . ASP A 1 404 ? 79.321 35.516 15.927 1.00 19.45 ? ? ? ? ? ? 404 ASP A O 1 +ATOM 3078 C CB . ASP A 1 404 ? 78.562 32.974 16.122 1.00 14.17 ? ? ? ? ? ? 404 ASP A CB 1 +ATOM 3079 C CG . ASP A 1 404 ? 77.599 33.208 15.002 1.00 14.29 ? ? ? ? ? ? 404 ASP A CG 1 +ATOM 3080 O OD1 . ASP A 1 404 ? 78.021 33.232 13.827 1.00 15.95 ? ? ? ? ? ? 404 ASP A OD1 1 +ATOM 3081 O OD2 . ASP A 1 404 ? 76.406 33.374 15.278 1.00 16.77 ? ? ? ? ? ? 404 ASP A OD2 1 +ATOM 3082 N N . PRO A 1 405 ? 81.403 35.153 15.142 1.00 18.78 ? ? ? ? ? ? 405 PRO A N 1 +ATOM 3083 C CA . PRO A 1 405 ? 81.704 36.584 15.043 1.00 18.73 ? ? ? ? ? ? 405 PRO A CA 1 +ATOM 3084 C C . PRO A 1 405 ? 80.647 37.419 14.327 1.00 18.93 ? ? ? ? ? ? 405 PRO A C 1 +ATOM 3085 O O . PRO A 1 405 ? 80.229 38.427 14.855 1.00 19.32 ? ? ? ? ? ? 405 PRO A O 1 +ATOM 3086 C CB . PRO A 1 405 ? 83.058 36.604 14.318 1.00 19.20 ? ? ? ? ? ? 405 PRO A CB 1 +ATOM 3087 C CG . PRO A 1 405 ? 83.044 35.352 13.508 1.00 18.88 ? ? ? ? ? ? 405 PRO A CG 1 +ATOM 3088 C CD . PRO A 1 405 ? 82.454 34.359 14.481 1.00 18.98 ? ? ? ? ? ? 405 PRO A CD 1 +ATOM 3089 N N . LEU A 1 406 ? 80.158 36.944 13.183 1.00 20.35 ? ? ? ? ? ? 406 LEU A N 1 +ATOM 3090 C CA . LEU A 1 406 ? 79.152 37.659 12.396 1.00 20.72 ? ? ? ? ? ? 406 LEU A CA 1 +ATOM 3091 C C . LEU A 1 406 ? 77.846 37.935 13.115 1.00 21.74 ? ? ? ? ? ? 406 LEU A C 1 +ATOM 3092 O O . LEU A 1 406 ? 76.890 38.393 12.506 1.00 24.87 ? ? ? ? ? ? 406 LEU A O 1 +ATOM 3093 C CB . LEU A 1 406 ? 78.835 36.930 11.090 1.00 19.86 ? ? ? ? ? ? 406 LEU A CB 1 +ATOM 3094 C CG . LEU A 1 406 ? 79.776 37.057 9.894 1.00 18.74 ? ? ? ? ? ? 406 LEU A CG 1 +ATOM 3095 C CD1 . LEU A 1 406 ? 79.154 36.357 8.735 1.00 19.43 ? ? ? ? ? ? 406 LEU A CD1 1 +ATOM 3096 C CD2 . LEU A 1 406 ? 79.994 38.483 9.522 1.00 19.16 ? ? ? ? ? ? 406 LEU A CD2 1 +ATOM 3097 N N . GLN A 1 407 ? 77.776 37.634 14.397 1.00 22.11 ? ? ? ? ? ? 407 GLN A N 1 +ATOM 3098 C CA . GLN A 1 407 ? 76.578 37.894 15.171 1.00 21.83 ? ? ? ? ? ? 407 GLN A CA 1 +ATOM 3099 C C . GLN A 1 407 ? 77.050 38.451 16.521 1.00 23.44 ? ? ? ? ? ? 407 GLN A C 1 +ATOM 3100 O O . GLN A 1 407 ? 76.409 39.340 17.079 1.00 24.56 ? ? ? ? ? ? 407 GLN A O 1 +ATOM 3101 C CB . GLN A 1 407 ? 75.782 36.596 15.313 1.00 20.46 ? ? ? ? ? ? 407 GLN A CB 1 +ATOM 3102 C CG . GLN A 1 407 ? 74.797 36.538 16.453 1.00 21.64 ? ? ? ? ? ? 407 GLN A CG 1 +ATOM 3103 C CD . GLN A 1 407 ? 73.629 37.482 16.282 1.00 24.98 ? ? ? ? ? ? 407 GLN A CD 1 +ATOM 3104 O OE1 . GLN A 1 407 ? 73.207 37.772 15.166 1.00 25.59 ? ? ? ? ? ? 407 GLN A OE1 1 +ATOM 3105 N NE2 . GLN A 1 407 ? 73.061 37.930 17.398 1.00 27.35 ? ? ? ? ? ? 407 GLN A NE2 1 +ATOM 3106 N N . THR A 1 408 ? 78.202 37.999 17.018 1.00 23.32 ? ? ? ? ? ? 408 THR A N 1 +ATOM 3107 C CA . THR A 1 408 ? 78.694 38.485 18.309 1.00 23.78 ? ? ? ? ? ? 408 THR A CA 1 +ATOM 3108 C C . THR A 1 408 ? 79.733 39.615 18.330 1.00 24.93 ? ? ? ? ? ? 408 THR A C 1 +ATOM 3109 O O . THR A 1 408 ? 79.883 40.308 19.354 1.00 24.83 ? ? ? ? ? ? 408 THR A O 1 +ATOM 3110 C CB . THR A 1 408 ? 79.226 37.352 19.151 1.00 22.53 ? ? ? ? ? ? 408 THR A CB 1 +ATOM 3111 O OG1 . THR A 1 408 ? 79.968 36.460 18.317 1.00 22.22 ? ? ? ? ? ? 408 THR A OG1 1 +ATOM 3112 C CG2 . THR A 1 408 ? 78.096 36.637 19.834 1.00 22.48 ? ? ? ? ? ? 408 THR A CG2 1 +ATOM 3113 N N . ASP A 1 409 ? 80.446 39.799 17.222 1.00 24.22 ? ? ? ? ? ? 409 ASP A N 1 +ATOM 3114 C CA . ASP A 1 409 ? 81.452 40.840 17.149 1.00 24.68 ? ? ? ? ? ? 409 ASP A CA 1 +ATOM 3115 C C . ASP A 1 409 ? 80.842 42.220 17.045 1.00 24.40 ? ? ? ? ? ? 409 ASP A C 1 +ATOM 3116 O O . ASP A 1 409 ? 79.802 42.396 16.426 1.00 24.23 ? ? ? ? ? ? 409 ASP A O 1 +ATOM 3117 C CB . ASP A 1 409 ? 82.385 40.587 15.982 1.00 27.55 ? ? ? ? ? ? 409 ASP A CB 1 +ATOM 3118 C CG . ASP A 1 409 ? 83.376 39.471 16.264 1.00 32.04 ? ? ? ? ? ? 409 ASP A CG 1 +ATOM 3119 O OD1 . ASP A 1 409 ? 83.061 38.567 17.080 1.00 35.66 ? ? ? ? ? ? 409 ASP A OD1 1 +ATOM 3120 O OD2 . ASP A 1 409 ? 84.479 39.499 15.680 1.00 34.22 ? ? ? ? ? ? 409 ASP A OD2 1 +ATOM 3121 N N . ALA A 1 410 ? 81.462 43.185 17.721 1.00 24.40 ? ? ? ? ? ? 410 ALA A N 1 +ATOM 3122 C CA . ALA A 1 410 ? 80.997 44.575 17.694 1.00 23.58 ? ? ? ? ? ? 410 ALA A CA 1 +ATOM 3123 C C . ALA A 1 410 ? 81.146 45.107 16.283 1.00 22.23 ? ? ? ? ? ? 410 ALA A C 1 +ATOM 3124 O O . ALA A 1 410 ? 82.099 44.770 15.595 1.00 22.61 ? ? ? ? ? ? 410 ALA A O 1 +ATOM 3125 C CB . ALA A 1 410 ? 81.803 45.428 18.669 1.00 22.96 ? ? ? ? ? ? 410 ALA A CB 1 +ATOM 3126 N N . GLU A 1 411 ? 80.164 45.868 15.825 1.00 23.14 ? ? ? ? ? ? 411 GLU A N 1 +ATOM 3127 C CA . GLU A 1 411 ? 80.223 46.439 14.478 1.00 24.82 ? ? ? ? ? ? 411 GLU A CA 1 +ATOM 3128 C C . GLU A 1 411 ? 80.209 45.366 13.364 1.00 25.12 ? ? ? ? ? ? 411 GLU A C 1 +ATOM 3129 O O . GLU A 1 411 ? 81.062 45.364 12.466 1.00 24.19 ? ? ? ? ? ? 411 GLU A O 1 +ATOM 3130 C CB . GLU A 1 411 ? 81.474 47.311 14.374 1.00 25.23 ? ? ? ? ? ? 411 GLU A CB 1 +ATOM 3131 C CG . GLU A 1 411 ? 81.534 48.194 13.165 1.00 26.95 ? ? ? ? ? ? 411 GLU A CG 1 +ATOM 3132 C CD . GLU A 1 411 ? 82.203 49.505 13.465 1.00 28.55 ? ? ? ? ? ? 411 GLU A CD 1 +ATOM 3133 O OE1 . GLU A 1 411 ? 82.554 49.752 14.647 1.00 29.63 ? ? ? ? ? ? 411 GLU A OE1 1 +ATOM 3134 O OE2 . GLU A 1 411 ? 82.353 50.303 12.518 1.00 28.78 ? ? ? ? ? ? 411 GLU A OE2 1 +ATOM 3135 N N . LEU A 1 412 ? 79.210 44.483 13.413 1.00 24.87 ? ? ? ? ? ? 412 LEU A N 1 +ATOM 3136 C CA . LEU A 1 412 ? 79.042 43.393 12.447 1.00 23.63 ? ? ? ? ? ? 412 LEU A CA 1 +ATOM 3137 C C . LEU A 1 412 ? 79.291 43.735 10.955 1.00 23.36 ? ? ? ? ? ? 412 LEU A C 1 +ATOM 3138 O O . LEU A 1 412 ? 79.684 42.866 10.166 1.00 20.58 ? ? ? ? ? ? 412 LEU A O 1 +ATOM 3139 C CB . LEU A 1 412 ? 77.664 42.753 12.643 1.00 22.40 ? ? ? ? ? ? 412 LEU A CB 1 +ATOM 3140 C CG . LEU A 1 412 ? 77.400 42.182 14.045 1.00 21.12 ? ? ? ? ? ? 412 LEU A CG 1 +ATOM 3141 C CD1 . LEU A 1 412 ? 76.019 41.557 14.113 1.00 20.00 ? ? ? ? ? ? 412 LEU A CD1 1 +ATOM 3142 C CD2 . LEU A 1 412 ? 78.445 41.140 14.367 1.00 20.60 ? ? ? ? ? ? 412 LEU A CD2 1 +ATOM 3143 N N . SER A 1 413 ? 79.094 44.998 10.585 1.00 24.62 ? ? ? ? ? ? 413 SER A N 1 +ATOM 3144 C CA . SER A 1 413 ? 79.333 45.424 9.205 1.00 26.60 ? ? ? ? ? ? 413 SER A CA 1 +ATOM 3145 C C . SER A 1 413 ? 80.820 45.310 8.920 1.00 27.56 ? ? ? ? ? ? 413 SER A C 1 +ATOM 3146 O O . SER A 1 413 ? 81.225 44.932 7.815 1.00 29.40 ? ? ? ? ? ? 413 SER A O 1 +ATOM 3147 C CB . SER A 1 413 ? 78.856 46.866 8.973 1.00 27.55 ? ? ? ? ? ? 413 SER A CB 1 +ATOM 3148 O OG . SER A 1 413 ? 79.484 47.790 9.847 1.00 28.83 ? ? ? ? ? ? 413 SER A OG 1 +ATOM 3149 N N . ALA A 1 414 ? 81.627 45.606 9.937 1.00 27.81 ? ? ? ? ? ? 414 ALA A N 1 +ATOM 3150 C CA . ALA A 1 414 ? 83.084 45.522 9.833 1.00 27.53 ? ? ? ? ? ? 414 ALA A CA 1 +ATOM 3151 C C . ALA A 1 414 ? 83.532 44.088 9.625 1.00 27.58 ? ? ? ? ? ? 414 ALA A C 1 +ATOM 3152 O O . ALA A 1 414 ? 84.352 43.815 8.754 1.00 28.01 ? ? ? ? ? ? 414 ALA A O 1 +ATOM 3153 C CB . ALA A 1 414 ? 83.738 46.089 11.080 1.00 27.08 ? ? ? ? ? ? 414 ALA A CB 1 +ATOM 3154 N N . VAL A 1 415 ? 82.976 43.166 10.405 1.00 28.64 ? ? ? ? ? ? 415 VAL A N 1 +ATOM 3155 C CA . VAL A 1 415 ? 83.343 41.756 10.301 1.00 30.02 ? ? ? ? ? ? 415 VAL A CA 1 +ATOM 3156 C C . VAL A 1 415 ? 82.935 41.158 8.964 1.00 30.61 ? ? ? ? ? ? 415 VAL A C 1 +ATOM 3157 O O . VAL A 1 415 ? 83.566 40.227 8.486 1.00 29.59 ? ? ? ? ? ? 415 VAL A O 1 +ATOM 3158 C CB . VAL A 1 415 ? 82.731 40.914 11.425 1.00 30.47 ? ? ? ? ? ? 415 VAL A CB 1 +ATOM 3159 C CG1 . VAL A 1 415 ? 83.314 39.504 11.398 1.00 31.16 ? ? ? ? ? ? 415 VAL A CG1 1 +ATOM 3160 C CG2 . VAL A 1 415 ? 82.989 41.570 12.763 1.00 31.68 ? ? ? ? ? ? 415 VAL A CG2 1 +ATOM 3161 N N . ARG A 1 416 ? 81.859 41.670 8.378 1.00 32.36 ? ? ? ? ? ? 416 ARG A N 1 +ATOM 3162 C CA . ARG A 1 416 ? 81.440 41.163 7.086 1.00 33.82 ? ? ? ? ? ? 416 ARG A CA 1 +ATOM 3163 C C . ARG A 1 416 ? 82.520 41.489 6.050 1.00 34.19 ? ? ? ? ? ? 416 ARG A C 1 +ATOM 3164 O O . ARG A 1 416 ? 83.064 40.580 5.431 1.00 35.06 ? ? ? ? ? ? 416 ARG A O 1 +ATOM 3165 C CB . ARG A 1 416 ? 80.072 41.715 6.700 1.00 34.53 ? ? ? ? ? ? 416 ARG A CB 1 +ATOM 3166 C CG . ARG A 1 416 ? 78.958 41.183 7.600 1.00 37.19 ? ? ? ? ? ? 416 ARG A CG 1 +ATOM 3167 C CD . ARG A 1 416 ? 77.615 41.811 7.301 1.00 39.03 ? ? ? ? ? ? 416 ARG A CD 1 +ATOM 3168 N NE . ARG A 1 416 ? 76.858 41.109 6.274 1.00 43.55 ? ? ? ? ? ? 416 ARG A NE 1 +ATOM 3169 C CZ . ARG A 1 416 ? 76.314 41.687 5.203 1.00 46.12 ? ? ? ? ? ? 416 ARG A CZ 1 +ATOM 3170 N NH1 . ARG A 1 416 ? 76.452 42.996 5.003 1.00 47.29 ? ? ? ? ? ? 416 ARG A NH1 1 +ATOM 3171 N NH2 . ARG A 1 416 ? 75.598 40.958 4.345 1.00 45.66 ? ? ? ? ? ? 416 ARG A NH2 1 +ATOM 3172 N N . LYS A 1 417 ? 82.892 42.763 5.922 1.00 33.52 ? ? ? ? ? ? 417 LYS A N 1 +ATOM 3173 C CA . LYS A 1 417 ? 83.933 43.160 4.968 1.00 32.11 ? ? ? ? ? ? 417 LYS A CA 1 +ATOM 3174 C C . LYS A 1 417 ? 85.194 42.371 5.284 1.00 31.03 ? ? ? ? ? ? 417 LYS A C 1 +ATOM 3175 O O . LYS A 1 417 ? 85.952 42.003 4.377 1.00 30.83 ? ? ? ? ? ? 417 LYS A O 1 +ATOM 3176 C CB . LYS A 1 417 ? 84.253 44.651 5.105 1.00 33.36 ? ? ? ? ? ? 417 LYS A CB 1 +ATOM 3177 C CG . LYS A 1 417 ? 85.126 45.214 3.995 1.00 35.54 ? ? ? ? ? ? 417 LYS A CG 1 +ATOM 3178 C CD . LYS A 1 417 ? 84.304 45.474 2.735 1.00 39.62 ? ? ? ? ? ? 417 LYS A CD 1 +ATOM 3179 C CE . LYS A 1 417 ? 85.030 46.410 1.737 1.00 42.48 ? ? ? ? ? ? 417 LYS A CE 1 +ATOM 3180 N NZ . LYS A 1 417 ? 84.127 47.030 0.696 1.00 40.95 ? ? ? ? ? ? 417 LYS A NZ 1 +ATOM 3181 N N . ALA A 1 418 ? 85.426 42.131 6.578 1.00 29.29 ? ? ? ? ? ? 418 ALA A N 1 +ATOM 3182 C CA . ALA A 1 418 ? 86.598 41.386 7.030 1.00 26.40 ? ? ? ? ? ? 418 ALA A CA 1 +ATOM 3183 C C . ALA A 1 418 ? 86.555 40.041 6.339 1.00 24.98 ? ? ? ? ? ? 418 ALA A C 1 +ATOM 3184 O O . ALA A 1 418 ? 87.502 39.665 5.643 1.00 25.06 ? ? ? ? ? ? 418 ALA A O 1 +ATOM 3185 C CB . ALA A 1 418 ? 86.593 41.217 8.552 1.00 24.14 ? ? ? ? ? ? 418 ALA A CB 1 +ATOM 3186 N N . PHE A 1 419 ? 85.415 39.367 6.463 1.00 23.54 ? ? ? ? ? ? 419 PHE A N 1 +ATOM 3187 C CA . PHE A 1 419 ? 85.205 38.068 5.837 1.00 23.49 ? ? ? ? ? ? 419 PHE A CA 1 +ATOM 3188 C C . PHE A 1 419 ? 85.366 38.173 4.326 1.00 22.97 ? ? ? ? ? ? 419 PHE A C 1 +ATOM 3189 O O . PHE A 1 419 ? 85.733 37.209 3.679 1.00 22.59 ? ? ? ? ? ? 419 PHE A O 1 +ATOM 3190 C CB . PHE A 1 419 ? 83.811 37.525 6.183 1.00 23.54 ? ? ? ? ? ? 419 PHE A CB 1 +ATOM 3191 C CG . PHE A 1 419 ? 83.799 36.557 7.351 1.00 23.71 ? ? ? ? ? ? 419 PHE A CG 1 +ATOM 3192 C CD1 . PHE A 1 419 ? 84.694 36.701 8.407 1.00 23.63 ? ? ? ? ? ? 419 PHE A CD1 1 +ATOM 3193 C CD2 . PHE A 1 419 ? 82.914 35.476 7.365 1.00 22.49 ? ? ? ? ? ? 419 PHE A CD2 1 +ATOM 3194 C CE1 . PHE A 1 419 ? 84.714 35.782 9.449 1.00 23.57 ? ? ? ? ? ? 419 PHE A CE1 1 +ATOM 3195 C CE2 . PHE A 1 419 ? 82.929 34.552 8.397 1.00 21.95 ? ? ? ? ? ? 419 PHE A CE2 1 +ATOM 3196 C CZ . PHE A 1 419 ? 83.826 34.701 9.441 1.00 23.75 ? ? ? ? ? ? 419 PHE A CZ 1 +ATOM 3197 N N . GLU A 1 420 ? 85.133 39.371 3.798 1.00 25.06 ? ? ? ? ? ? 420 GLU A N 1 +ATOM 3198 C CA . GLU A 1 420 ? 85.220 39.677 2.373 1.00 26.89 ? ? ? ? ? ? 420 GLU A CA 1 +ATOM 3199 C C . GLU A 1 420 ? 86.624 40.093 1.961 1.00 25.48 ? ? ? ? ? ? 420 GLU A C 1 +ATOM 3200 O O . GLU A 1 420 ? 86.941 40.076 0.781 1.00 26.50 ? ? ? ? ? ? 420 GLU A O 1 +ATOM 3201 C CB . GLU A 1 420 ? 84.197 40.773 1.995 1.00 31.93 ? ? ? ? ? ? 420 GLU A CB 1 +ATOM 3202 C CG . GLU A 1 420 ? 84.298 41.317 0.545 1.00 39.43 ? ? ? ? ? ? 420 GLU A CG 1 +ATOM 3203 C CD . GLU A 1 420 ? 84.218 42.871 0.445 1.00 43.98 ? ? ? ? ? ? 420 GLU A CD 1 +ATOM 3204 O OE1 . GLU A 1 420 ? 83.129 43.443 0.730 1.00 44.44 ? ? ? ? ? ? 420 GLU A OE1 1 +ATOM 3205 O OE2 . GLU A 1 420 ? 85.244 43.512 0.071 1.00 44.97 ? ? ? ? ? ? 420 GLU A OE2 1 +ATOM 3206 N N . ASP A 1 421 ? 87.463 40.478 2.918 1.00 24.55 ? ? ? ? ? ? 421 ASP A N 1 +ATOM 3207 C CA . ASP A 1 421 ? 88.833 40.869 2.597 1.00 24.29 ? ? ? ? ? ? 421 ASP A CA 1 +ATOM 3208 C C . ASP A 1 421 ? 89.841 39.733 2.755 1.00 25.04 ? ? ? ? ? ? 421 ASP A C 1 +ATOM 3209 O O . ASP A 1 421 ? 91.009 39.890 2.378 1.00 26.88 ? ? ? ? ? ? 421 ASP A O 1 +ATOM 3210 C CB . ASP A 1 421 ? 89.282 42.056 3.447 1.00 23.85 ? ? ? ? ? ? 421 ASP A CB 1 +ATOM 3211 C CG . ASP A 1 421 ? 88.623 43.372 3.038 1.00 24.55 ? ? ? ? ? ? 421 ASP A CG 1 +ATOM 3212 O OD1 . ASP A 1 421 ? 88.269 43.566 1.848 1.00 25.40 ? ? ? ? ? ? 421 ASP A OD1 1 +ATOM 3213 O OD2 . ASP A 1 421 ? 88.477 44.234 3.925 1.00 24.89 ? ? ? ? ? ? 421 ASP A OD2 1 +ATOM 3214 N N . LEU A 1 422 ? 89.412 38.613 3.348 1.00 24.46 ? ? ? ? ? ? 422 LEU A N 1 +ATOM 3215 C CA . LEU A 1 422 ? 90.284 37.450 3.567 1.00 22.19 ? ? ? ? ? ? 422 LEU A CA 1 +ATOM 3216 C C . LEU A 1 422 ? 90.268 36.548 2.345 1.00 21.65 ? ? ? ? ? ? 422 LEU A C 1 +ATOM 3217 O O . LEU A 1 422 ? 89.262 36.456 1.675 1.00 20.61 ? ? ? ? ? ? 422 LEU A O 1 +ATOM 3218 C CB . LEU A 1 422 ? 89.833 36.669 4.807 1.00 20.25 ? ? ? ? ? ? 422 LEU A CB 1 +ATOM 3219 C CG . LEU A 1 422 ? 89.999 37.367 6.164 1.00 19.06 ? ? ? ? ? ? 422 LEU A CG 1 +ATOM 3220 C CD1 . LEU A 1 422 ? 89.128 36.687 7.218 1.00 17.50 ? ? ? ? ? ? 422 LEU A CD1 1 +ATOM 3221 C CD2 . LEU A 1 422 ? 91.464 37.381 6.589 1.00 16.01 ? ? ? ? ? ? 422 LEU A CD2 1 +ATOM 3222 N N . GLU A 1 423 ? 91.399 35.922 2.032 1.00 23.18 ? ? ? ? ? ? 423 GLU A N 1 +ATOM 3223 C CA . GLU A 1 423 ? 91.490 35.031 0.873 1.00 23.12 ? ? ? ? ? ? 423 GLU A CA 1 +ATOM 3224 C C . GLU A 1 423 ? 90.620 33.832 1.144 1.00 24.07 ? ? ? ? ? ? 423 GLU A C 1 +ATOM 3225 O O . GLU A 1 423 ? 89.749 33.477 0.341 1.00 25.81 ? ? ? ? ? ? 423 GLU A O 1 +ATOM 3226 C CB . GLU A 1 423 ? 92.920 34.507 0.664 1.00 22.96 ? ? ? ? ? ? 423 GLU A CB 1 +ATOM 3227 C CG . GLU A 1 423 ? 93.939 35.488 0.096 1.00 26.88 ? ? ? ? ? ? 423 GLU A CG 1 +ATOM 3228 C CD . GLU A 1 423 ? 95.116 34.789 -0.611 1.00 29.98 ? ? ? ? ? ? 423 GLU A CD 1 +ATOM 3229 O OE1 . GLU A 1 423 ? 95.034 33.568 -0.898 1.00 32.59 ? ? ? ? ? ? 423 GLU A OE1 1 +ATOM 3230 O OE2 . GLU A 1 423 ? 96.119 35.466 -0.911 1.00 30.43 ? ? ? ? ? ? 423 GLU A OE2 1 +ATOM 3231 N N . LEU A 1 424 ? 90.888 33.211 2.293 1.00 23.46 ? ? ? ? ? ? 424 LEU A N 1 +ATOM 3232 C CA . LEU A 1 424 ? 90.214 32.004 2.740 1.00 21.25 ? ? ? ? ? ? 424 LEU A CA 1 +ATOM 3233 C C . LEU A 1 424 ? 89.680 32.172 4.152 1.00 21.17 ? ? ? ? ? ? 424 LEU A C 1 +ATOM 3234 O O . LEU A 1 424 ? 90.368 32.707 5.009 1.00 22.49 ? ? ? ? ? ? 424 LEU A O 1 +ATOM 3235 C CB . LEU A 1 424 ? 91.234 30.877 2.747 1.00 19.96 ? ? ? ? ? ? 424 LEU A CB 1 +ATOM 3236 C CG . LEU A 1 424 ? 90.807 29.538 3.315 1.00 19.72 ? ? ? ? ? ? 424 LEU A CG 1 +ATOM 3237 C CD1 . LEU A 1 424 ? 89.735 28.926 2.433 1.00 20.14 ? ? ? ? ? ? 424 LEU A CD1 1 +ATOM 3238 C CD2 . LEU A 1 424 ? 92.016 28.646 3.366 1.00 19.74 ? ? ? ? ? ? 424 LEU A CD2 1 +ATOM 3239 N N . VAL A 1 425 ? 88.474 31.675 4.403 1.00 20.09 ? ? ? ? ? ? 425 VAL A N 1 +ATOM 3240 C CA . VAL A 1 425 ? 87.847 31.745 5.721 1.00 17.38 ? ? ? ? ? ? 425 VAL A CA 1 +ATOM 3241 C C . VAL A 1 425 ? 87.282 30.356 6.045 1.00 17.21 ? ? ? ? ? ? 425 VAL A C 1 +ATOM 3242 O O . VAL A 1 425 ? 86.376 29.870 5.350 1.00 17.31 ? ? ? ? ? ? 425 VAL A O 1 +ATOM 3243 C CB . VAL A 1 425 ? 86.702 32.735 5.727 1.00 15.89 ? ? ? ? ? ? 425 VAL A CB 1 +ATOM 3244 C CG1 . VAL A 1 425 ? 85.944 32.649 7.055 1.00 15.93 ? ? ? ? ? ? 425 VAL A CG1 1 +ATOM 3245 C CG2 . VAL A 1 425 ? 87.228 34.128 5.476 1.00 15.42 ? ? ? ? ? ? 425 VAL A CG2 1 +ATOM 3246 N N . ILE A 1 426 ? 87.821 29.726 7.084 1.00 14.36 ? ? ? ? ? ? 426 ILE A N 1 +ATOM 3247 C CA . ILE A 1 426 ? 87.405 28.390 7.487 1.00 11.72 ? ? ? ? ? ? 426 ILE A CA 1 +ATOM 3248 C C . ILE A 1 426 ? 86.681 28.440 8.823 1.00 11.13 ? ? ? ? ? ? 426 ILE A C 1 +ATOM 3249 O O . ILE A 1 426 ? 87.213 28.957 9.814 1.00 10.41 ? ? ? ? ? ? 426 ILE A O 1 +ATOM 3250 C CB . ILE A 1 426 ? 88.628 27.475 7.644 1.00 11.31 ? ? ? ? ? ? 426 ILE A CB 1 +ATOM 3251 C CG1 . ILE A 1 426 ? 89.457 27.491 6.355 1.00 10.71 ? ? ? ? ? ? 426 ILE A CG1 1 +ATOM 3252 C CG2 . ILE A 1 426 ? 88.192 26.077 8.061 1.00 8.38 ? ? ? ? ? ? 426 ILE A CG2 1 +ATOM 3253 C CD1 . ILE A 1 426 ? 90.923 27.241 6.569 1.00 10.81 ? ? ? ? ? ? 426 ILE A CD1 1 +ATOM 3254 N N . VAL A 1 427 ? 85.480 27.879 8.849 1.00 8.58 ? ? ? ? ? ? 427 VAL A N 1 +ATOM 3255 C CA . VAL A 1 427 ? 84.694 27.860 10.056 1.00 6.23 ? ? ? ? ? ? 427 VAL A CA 1 +ATOM 3256 C C . VAL A 1 427 ? 84.491 26.439 10.468 1.00 5.34 ? ? ? ? ? ? 427 VAL A C 1 +ATOM 3257 O O . VAL A 1 427 ? 84.072 25.594 9.677 1.00 4.49 ? ? ? ? ? ? 427 VAL A O 1 +ATOM 3258 C CB . VAL A 1 427 ? 83.315 28.523 9.865 1.00 6.72 ? ? ? ? ? ? 427 VAL A CB 1 +ATOM 3259 C CG1 . VAL A 1 427 ? 82.455 28.340 11.120 1.00 7.65 ? ? ? ? ? ? 427 VAL A CG1 1 +ATOM 3260 C CG2 . VAL A 1 427 ? 83.484 29.997 9.558 1.00 6.71 ? ? ? ? ? ? 427 VAL A CG2 1 +ATOM 3261 N N . GLN A 1 428 ? 84.809 26.173 11.718 1.00 5.50 ? ? ? ? ? ? 428 GLN A N 1 +ATOM 3262 C CA . GLN A 1 428 ? 84.643 24.845 12.264 1.00 6.92 ? ? ? ? ? ? 428 GLN A CA 1 +ATOM 3263 C C . GLN A 1 428 ? 83.584 25.016 13.341 1.00 7.74 ? ? ? ? ? ? 428 GLN A C 1 +ATOM 3264 O O . GLN A 1 428 ? 83.827 25.608 14.406 1.00 5.56 ? ? ? ? ? ? 428 GLN A O 1 +ATOM 3265 C CB . GLN A 1 428 ? 85.960 24.340 12.845 1.00 7.28 ? ? ? ? ? ? 428 GLN A CB 1 +ATOM 3266 C CG . GLN A 1 428 ? 85.973 22.901 13.250 1.00 5.85 ? ? ? ? ? ? 428 GLN A CG 1 +ATOM 3267 C CD . GLN A 1 428 ? 87.360 22.369 13.191 1.00 9.28 ? ? ? ? ? ? 428 GLN A CD 1 +ATOM 3268 O OE1 . GLN A 1 428 ? 87.926 22.238 12.101 1.00 11.59 ? ? ? ? ? ? 428 GLN A OE1 1 +ATOM 3269 N NE2 . GLN A 1 428 ? 87.961 22.123 14.349 1.00 9.21 ? ? ? ? ? ? 428 GLN A NE2 1 +ATOM 3270 N N . ASP A 1 429 ? 82.393 24.529 13.035 1.00 7.95 ? ? ? ? ? ? 429 ASP A N 1 +ATOM 3271 C CA . ASP A 1 429 ? 81.301 24.659 13.944 1.00 9.28 ? ? ? ? ? ? 429 ASP A CA 1 +ATOM 3272 C C . ASP A 1 429 ? 80.447 23.399 13.939 1.00 11.16 ? ? ? ? ? ? 429 ASP A C 1 +ATOM 3273 O O . ASP A 1 429 ? 80.756 22.411 13.268 1.00 11.87 ? ? ? ? ? ? 429 ASP A O 1 +ATOM 3274 C CB . ASP A 1 429 ? 80.472 25.884 13.585 1.00 8.08 ? ? ? ? ? ? 429 ASP A CB 1 +ATOM 3275 C CG . ASP A 1 429 ? 79.801 26.493 14.781 1.00 9.58 ? ? ? ? ? ? 429 ASP A CG 1 +ATOM 3276 O OD1 . ASP A 1 429 ? 80.403 27.358 15.422 1.00 14.26 ? ? ? ? ? ? 429 ASP A OD1 1 +ATOM 3277 O OD2 . ASP A 1 429 ? 78.665 26.127 15.108 1.00 12.26 ? ? ? ? ? ? 429 ASP A OD2 1 +ATOM 3278 N N . ILE A 1 430 ? 79.355 23.487 14.688 1.00 10.56 ? ? ? ? ? ? 430 ILE A N 1 +ATOM 3279 C CA . ILE A 1 430 ? 78.407 22.444 14.924 1.00 8.04 ? ? ? ? ? ? 430 ILE A CA 1 +ATOM 3280 C C . ILE A 1 430 ? 77.012 22.886 14.413 1.00 9.17 ? ? ? ? ? ? 430 ILE A C 1 +ATOM 3281 O O . ILE A 1 430 ? 76.096 22.074 14.301 1.00 9.37 ? ? ? ? ? ? 430 ILE A O 1 +ATOM 3282 C CB . ILE A 1 430 ? 78.505 22.178 16.460 1.00 8.24 ? ? ? ? ? ? 430 ILE A CB 1 +ATOM 3283 C CG1 . ILE A 1 430 ? 78.969 20.775 16.725 1.00 10.89 ? ? ? ? ? ? 430 ILE A CG1 1 +ATOM 3284 C CG2 . ILE A 1 430 ? 77.287 22.569 17.251 1.00 10.17 ? ? ? ? ? ? 430 ILE A CG2 1 +ATOM 3285 C CD1 . ILE A 1 430 ? 80.310 20.737 17.339 1.00 12.70 ? ? ? ? ? ? 430 ILE A CD1 1 +ATOM 3286 N N . PHE A 1 431 ? 76.892 24.152 14.004 1.00 9.69 ? ? ? ? ? ? 431 PHE A N 1 +ATOM 3287 C CA . PHE A 1 431 ? 75.631 24.749 13.493 1.00 8.59 ? ? ? ? ? ? 431 PHE A CA 1 +ATOM 3288 C C . PHE A 1 431 ? 75.826 25.709 12.312 1.00 9.58 ? ? ? ? ? ? 431 PHE A C 1 +ATOM 3289 O O . PHE A 1 431 ? 76.852 26.396 12.203 1.00 7.42 ? ? ? ? ? ? 431 PHE A O 1 +ATOM 3290 C CB . PHE A 1 431 ? 74.942 25.550 14.579 1.00 4.79 ? ? ? ? ? ? 431 PHE A CB 1 +ATOM 3291 C CG . PHE A 1 431 ? 74.231 24.729 15.571 1.00 2.00 ? ? ? ? ? ? 431 PHE A CG 1 +ATOM 3292 C CD1 . PHE A 1 431 ? 73.135 23.991 15.209 1.00 3.92 ? ? ? ? ? ? 431 PHE A CD1 1 +ATOM 3293 C CD2 . PHE A 1 431 ? 74.612 24.741 16.882 1.00 2.00 ? ? ? ? ? ? 431 PHE A CD2 1 +ATOM 3294 C CE1 . PHE A 1 431 ? 72.424 23.275 16.163 1.00 4.48 ? ? ? ? ? ? 431 PHE A CE1 1 +ATOM 3295 C CE2 . PHE A 1 431 ? 73.916 24.038 17.834 1.00 2.00 ? ? ? ? ? ? 431 PHE A CE2 1 +ATOM 3296 C CZ . PHE A 1 431 ? 72.823 23.307 17.482 1.00 2.87 ? ? ? ? ? ? 431 PHE A CZ 1 +ATOM 3297 N N . MET A 1 432 ? 74.817 25.804 11.455 1.00 12.10 ? ? ? ? ? ? 432 MET A N 1 +ATOM 3298 C CA . MET A 1 432 ? 74.922 26.697 10.312 1.00 15.29 ? ? ? ? ? ? 432 MET A CA 1 +ATOM 3299 C C . MET A 1 432 ? 74.641 28.143 10.757 1.00 16.92 ? ? ? ? ? ? 432 MET A C 1 +ATOM 3300 O O . MET A 1 432 ? 73.579 28.721 10.499 1.00 18.14 ? ? ? ? ? ? 432 MET A O 1 +ATOM 3301 C CB . MET A 1 432 ? 73.987 26.254 9.196 1.00 15.74 ? ? ? ? ? ? 432 MET A CB 1 +ATOM 3302 C CG . MET A 1 432 ? 74.126 27.087 7.949 1.00 16.99 ? ? ? ? ? ? 432 MET A CG 1 +ATOM 3303 S SD . MET A 1 432 ? 75.817 27.152 7.401 1.00 20.81 ? ? ? ? ? ? 432 MET A SD 1 +ATOM 3304 C CE . MET A 1 432 ? 75.877 25.697 6.377 1.00 17.20 ? ? ? ? ? ? 432 MET A CE 1 +ATOM 3305 N N . THR A 1 433 ? 75.614 28.719 11.450 1.00 17.03 ? ? ? ? ? ? 433 THR A N 1 +ATOM 3306 C CA . THR A 1 433 ? 75.496 30.078 11.963 1.00 15.94 ? ? ? ? ? ? 433 THR A CA 1 +ATOM 3307 C C . THR A 1 433 ? 75.603 31.109 10.833 1.00 16.26 ? ? ? ? ? ? 433 THR A C 1 +ATOM 3308 O O . THR A 1 433 ? 75.862 30.763 9.672 1.00 15.76 ? ? ? ? ? ? 433 THR A O 1 +ATOM 3309 C CB . THR A 1 433 ? 76.656 30.368 12.952 1.00 14.22 ? ? ? ? ? ? 433 THR A CB 1 +ATOM 3310 O OG1 . THR A 1 433 ? 77.896 30.284 12.241 1.00 9.47 ? ? ? ? ? ? 433 THR A OG1 1 +ATOM 3311 C CG2 . THR A 1 433 ? 76.654 29.391 14.121 1.00 12.50 ? ? ? ? ? ? 433 THR A CG2 1 +ATOM 3312 N N . LYS A 1 434 ? 75.388 32.375 11.176 1.00 16.27 ? ? ? ? ? ? 434 LYS A N 1 +ATOM 3313 C CA . LYS A 1 434 ? 75.559 33.426 10.202 1.00 16.71 ? ? ? ? ? ? 434 LYS A CA 1 +ATOM 3314 C C . LYS A 1 434 ? 77.034 33.376 9.785 1.00 17.75 ? ? ? ? ? ? 434 LYS A C 1 +ATOM 3315 O O . LYS A 1 434 ? 77.353 33.589 8.607 1.00 19.51 ? ? ? ? ? ? 434 LYS A O 1 +ATOM 3316 C CB . LYS A 1 434 ? 75.290 34.794 10.809 1.00 17.54 ? ? ? ? ? ? 434 LYS A CB 1 +ATOM 3317 C CG . LYS A 1 434 ? 73.861 35.118 11.113 1.00 17.11 ? ? ? ? ? ? 434 LYS A CG 1 +ATOM 3318 C CD . LYS A 1 434 ? 73.795 36.543 11.652 1.00 16.39 ? ? ? ? ? ? 434 LYS A CD 1 +ATOM 3319 C CE . LYS A 1 434 ? 72.395 36.865 12.104 1.00 18.50 ? ? ? ? ? ? 434 LYS A CE 1 +ATOM 3320 N NZ . LYS A 1 434 ? 72.244 38.257 12.613 1.00 19.15 ? ? ? ? ? ? 434 LYS A NZ 1 +ATOM 3321 N N . THR A 1 435 ? 77.932 33.099 10.739 1.00 16.07 ? ? ? ? ? ? 435 THR A N 1 +ATOM 3322 C CA . THR A 1 435 ? 79.359 33.038 10.422 1.00 15.34 ? ? ? ? ? ? 435 THR A CA 1 +ATOM 3323 C C . THR A 1 435 ? 79.710 31.873 9.514 1.00 14.85 ? ? ? ? ? ? 435 THR A C 1 +ATOM 3324 O O . THR A 1 435 ? 80.486 32.029 8.589 1.00 13.50 ? ? ? ? ? ? 435 THR A O 1 +ATOM 3325 C CB . THR A 1 435 ? 80.223 32.923 11.676 1.00 16.92 ? ? ? ? ? ? 435 THR A CB 1 +ATOM 3326 O OG1 . THR A 1 435 ? 80.067 34.093 12.488 1.00 17.54 ? ? ? ? ? ? 435 THR A OG1 1 +ATOM 3327 C CG2 . THR A 1 435 ? 81.683 32.752 11.300 1.00 17.10 ? ? ? ? ? ? 435 THR A CG2 1 +ATOM 3328 N N . ALA A 1 436 ? 79.151 30.697 9.785 1.00 15.64 ? ? ? ? ? ? 436 ALA A N 1 +ATOM 3329 C CA . ALA A 1 436 ? 79.453 29.525 8.965 1.00 17.21 ? ? ? ? ? ? 436 ALA A CA 1 +ATOM 3330 C C . ALA A 1 436 ? 78.930 29.711 7.537 1.00 19.19 ? ? ? ? ? ? 436 ALA A C 1 +ATOM 3331 O O . ALA A 1 436 ? 79.579 29.282 6.560 1.00 21.33 ? ? ? ? ? ? 436 ALA A O 1 +ATOM 3332 C CB . ALA A 1 436 ? 78.884 28.252 9.595 1.00 14.96 ? ? ? ? ? ? 436 ALA A CB 1 +ATOM 3333 N N . SER A 1 437 ? 77.790 30.396 7.409 1.00 18.23 ? ? ? ? ? ? 437 SER A N 1 +ATOM 3334 C CA . SER A 1 437 ? 77.199 30.632 6.103 1.00 16.37 ? ? ? ? ? ? 437 SER A CA 1 +ATOM 3335 C C . SER A 1 437 ? 78.067 31.517 5.236 1.00 15.64 ? ? ? ? ? ? 437 SER A C 1 +ATOM 3336 O O . SER A 1 437 ? 78.060 31.370 4.027 1.00 17.88 ? ? ? ? ? ? 437 SER A O 1 +ATOM 3337 C CB . SER A 1 437 ? 75.819 31.226 6.242 1.00 15.56 ? ? ? ? ? ? 437 SER A CB 1 +ATOM 3338 O OG . SER A 1 437 ? 75.885 32.350 7.074 1.00 17.54 ? ? ? ? ? ? 437 SER A OG 1 +ATOM 3339 N N . ALA A 1 438 ? 78.837 32.412 5.833 1.00 13.78 ? ? ? ? ? ? 438 ALA A N 1 +ATOM 3340 C CA . ALA A 1 438 ? 79.701 33.275 5.046 1.00 12.43 ? ? ? ? ? ? 438 ALA A CA 1 +ATOM 3341 C C . ALA A 1 438 ? 81.080 32.685 4.991 1.00 13.37 ? ? ? ? ? ? 438 ALA A C 1 +ATOM 3342 O O . ALA A 1 438 ? 82.057 33.431 5.011 1.00 15.05 ? ? ? ? ? ? 438 ALA A O 1 +ATOM 3343 C CB . ALA A 1 438 ? 79.779 34.645 5.668 1.00 10.40 ? ? ? ? ? ? 438 ALA A CB 1 +ATOM 3344 N N . ALA A 1 439 ? 81.193 31.364 4.923 1.00 13.82 ? ? ? ? ? ? 439 ALA A N 1 +ATOM 3345 C CA . ALA A 1 439 ? 82.525 30.752 4.905 1.00 14.91 ? ? ? ? ? ? 439 ALA A CA 1 +ATOM 3346 C C . ALA A 1 439 ? 82.958 30.211 3.560 1.00 16.15 ? ? ? ? ? ? 439 ALA A C 1 +ATOM 3347 O O . ALA A 1 439 ? 82.136 29.942 2.687 1.00 17.00 ? ? ? ? ? ? 439 ALA A O 1 +ATOM 3348 C CB . ALA A 1 439 ? 82.622 29.649 5.953 1.00 14.03 ? ? ? ? ? ? 439 ALA A CB 1 +ATOM 3349 N N . ASP A 1 440 ? 84.267 30.100 3.378 1.00 17.35 ? ? ? ? ? ? 440 ASP A N 1 +ATOM 3350 C CA . ASP A 1 440 ? 84.805 29.546 2.144 1.00 17.43 ? ? ? ? ? ? 440 ASP A CA 1 +ATOM 3351 C C . ASP A 1 440 ? 84.772 28.033 2.267 1.00 16.71 ? ? ? ? ? ? 440 ASP A C 1 +ATOM 3352 O O . ASP A 1 440 ? 84.377 27.323 1.340 1.00 18.37 ? ? ? ? ? ? 440 ASP A O 1 +ATOM 3353 C CB . ASP A 1 440 ? 86.221 30.039 1.915 1.00 18.54 ? ? ? ? ? ? 440 ASP A CB 1 +ATOM 3354 C CG . ASP A 1 440 ? 86.256 31.492 1.591 1.00 20.06 ? ? ? ? ? ? 440 ASP A CG 1 +ATOM 3355 O OD1 . ASP A 1 440 ? 85.398 31.901 0.796 1.00 23.06 ? ? ? ? ? ? 440 ASP A OD1 1 +ATOM 3356 O OD2 . ASP A 1 440 ? 87.101 32.231 2.144 1.00 21.40 ? ? ? ? ? ? 440 ASP A OD2 1 +ATOM 3357 N N . VAL A 1 441 ? 85.174 27.537 3.420 1.00 14.12 ? ? ? ? ? ? 441 VAL A N 1 +ATOM 3358 C CA . VAL A 1 441 ? 85.135 26.112 3.645 1.00 13.29 ? ? ? ? ? ? 441 VAL A CA 1 +ATOM 3359 C C . VAL A 1 441 ? 84.651 25.811 5.077 1.00 11.38 ? ? ? ? ? ? 441 VAL A C 1 +ATOM 3360 O O . VAL A 1 441 ? 85.145 26.383 6.043 1.00 10.68 ? ? ? ? ? ? 441 VAL A O 1 +ATOM 3361 C CB . VAL A 1 441 ? 86.498 25.456 3.256 1.00 13.07 ? ? ? ? ? ? 441 VAL A CB 1 +ATOM 3362 C CG1 . VAL A 1 441 ? 87.638 26.306 3.689 1.00 13.87 ? ? ? ? ? ? 441 VAL A CG1 1 +ATOM 3363 C CG2 . VAL A 1 441 ? 86.637 24.083 3.851 1.00 15.13 ? ? ? ? ? ? 441 VAL A CG2 1 +ATOM 3364 N N . ILE A 1 442 ? 83.584 25.026 5.180 1.00 10.41 ? ? ? ? ? ? 442 ILE A N 1 +ATOM 3365 C CA . ILE A 1 442 ? 83.007 24.637 6.467 1.00 11.46 ? ? ? ? ? ? 442 ILE A CA 1 +ATOM 3366 C C . ILE A 1 442 ? 83.423 23.220 6.783 1.00 12.28 ? ? ? ? ? ? 442 ILE A C 1 +ATOM 3367 O O . ILE A 1 442 ? 83.426 22.367 5.891 1.00 13.76 ? ? ? ? ? ? 442 ILE A O 1 +ATOM 3368 C CB . ILE A 1 442 ? 81.458 24.661 6.439 1.00 11.06 ? ? ? ? ? ? 442 ILE A CB 1 +ATOM 3369 C CG1 . ILE A 1 442 ? 80.932 26.096 6.543 1.00 11.71 ? ? ? ? ? ? 442 ILE A CG1 1 +ATOM 3370 C CG2 . ILE A 1 442 ? 80.895 23.846 7.581 1.00 10.92 ? ? ? ? ? ? 442 ILE A CG2 1 +ATOM 3371 C CD1 . ILE A 1 442 ? 79.793 26.369 5.630 1.00 11.82 ? ? ? ? ? ? 442 ILE A CD1 1 +ATOM 3372 N N . LEU A 1 443 ? 83.721 22.964 8.055 1.00 11.77 ? ? ? ? ? ? 443 LEU A N 1 +ATOM 3373 C CA . LEU A 1 443 ? 84.136 21.642 8.528 1.00 10.62 ? ? ? ? ? ? 443 LEU A CA 1 +ATOM 3374 C C . LEU A 1 443 ? 83.342 21.387 9.814 1.00 11.94 ? ? ? ? ? ? 443 LEU A C 1 +ATOM 3375 O O . LEU A 1 443 ? 83.520 22.086 10.810 1.00 11.42 ? ? ? ? ? ? 443 LEU A O 1 +ATOM 3376 C CB . LEU A 1 443 ? 85.644 21.646 8.822 1.00 9.58 ? ? ? ? ? ? 443 LEU A CB 1 +ATOM 3377 C CG . LEU A 1 443 ? 86.580 22.078 7.682 1.00 8.41 ? ? ? ? ? ? 443 LEU A CG 1 +ATOM 3378 C CD1 . LEU A 1 443 ? 87.941 22.387 8.234 1.00 8.15 ? ? ? ? ? ? 443 LEU A CD1 1 +ATOM 3379 C CD2 . LEU A 1 443 ? 86.666 21.016 6.602 1.00 6.06 ? ? ? ? ? ? 443 LEU A CD2 1 +ATOM 3380 N N . PRO A 1 444 ? 82.467 20.367 9.818 1.00 13.93 ? ? ? ? ? ? 444 PRO A N 1 +ATOM 3381 C CA . PRO A 1 444 ? 81.663 20.074 11.012 1.00 14.45 ? ? ? ? ? ? 444 PRO A CA 1 +ATOM 3382 C C . PRO A 1 444 ? 82.365 19.236 12.056 1.00 14.17 ? ? ? ? ? ? 444 PRO A C 1 +ATOM 3383 O O . PRO A 1 444 ? 83.185 18.385 11.714 1.00 15.25 ? ? ? ? ? ? 444 PRO A O 1 +ATOM 3384 C CB . PRO A 1 444 ? 80.427 19.382 10.436 1.00 14.00 ? ? ? ? ? ? 444 PRO A CB 1 +ATOM 3385 C CG . PRO A 1 444 ? 80.925 18.736 9.131 1.00 16.02 ? ? ? ? ? ? 444 PRO A CG 1 +ATOM 3386 C CD . PRO A 1 444 ? 82.290 19.327 8.787 1.00 15.30 ? ? ? ? ? ? 444 PRO A CD 1 +ATOM 3387 N N . SER A 1 445 ? 82.010 19.447 13.321 1.00 12.99 ? ? ? ? ? ? 445 SER A N 1 +ATOM 3388 C CA . SER A 1 445 ? 82.629 18.720 14.426 1.00 13.17 ? ? ? ? ? ? 445 SER A CA 1 +ATOM 3389 C C . SER A 1 445 ? 81.629 18.121 15.412 1.00 13.57 ? ? ? ? ? ? 445 SER A C 1 +ATOM 3390 O O . SER A 1 445 ? 80.452 18.456 15.405 1.00 14.18 ? ? ? ? ? ? 445 SER A O 1 +ATOM 3391 C CB . SER A 1 445 ? 83.545 19.655 15.188 1.00 13.17 ? ? ? ? ? ? 445 SER A CB 1 +ATOM 3392 O OG . SER A 1 445 ? 82.775 20.568 15.957 1.00 12.89 ? ? ? ? ? ? 445 SER A OG 1 +ATOM 3393 N N . THR A 1 446 ? 82.097 17.257 16.296 1.00 14.38 ? ? ? ? ? ? 446 THR A N 1 +ATOM 3394 C CA . THR A 1 446 ? 81.187 16.659 17.255 1.00 15.32 ? ? ? ? ? ? 446 THR A CA 1 +ATOM 3395 C C . THR A 1 446 ? 80.795 17.666 18.330 1.00 16.03 ? ? ? ? ? ? 446 THR A C 1 +ATOM 3396 O O . THR A 1 446 ? 81.645 18.417 18.825 1.00 18.97 ? ? ? ? ? ? 446 THR A O 1 +ATOM 3397 C CB . THR A 1 446 ? 81.791 15.401 17.907 1.00 16.31 ? ? ? ? ? ? 446 THR A CB 1 +ATOM 3398 O OG1 . THR A 1 446 ? 82.952 15.748 18.681 1.00 14.44 ? ? ? ? ? ? 446 THR A OG1 1 +ATOM 3399 C CG2 . THR A 1 446 ? 82.163 14.369 16.836 1.00 15.43 ? ? ? ? ? ? 446 THR A CG2 1 +ATOM 3400 N N . SER A 1 447 ? 79.503 17.711 18.645 1.00 15.62 ? ? ? ? ? ? 447 SER A N 1 +ATOM 3401 C CA . SER A 1 447 ? 78.935 18.596 19.664 1.00 14.79 ? ? ? ? ? ? 447 SER A CA 1 +ATOM 3402 C C . SER A 1 447 ? 79.189 18.054 21.070 1.00 15.30 ? ? ? ? ? ? 447 SER A C 1 +ATOM 3403 O O . SER A 1 447 ? 79.645 16.909 21.244 1.00 14.34 ? ? ? ? ? ? 447 SER A O 1 +ATOM 3404 C CB . SER A 1 447 ? 77.431 18.753 19.416 1.00 15.35 ? ? ? ? ? ? 447 SER A CB 1 +ATOM 3405 O OG . SER A 1 447 ? 76.748 19.371 20.491 1.00 16.63 ? ? ? ? ? ? 447 SER A OG 1 +ATOM 3406 N N . TRP A 1 448 ? 78.832 18.859 22.064 1.00 15.06 ? ? ? ? ? ? 448 TRP A N 1 +ATOM 3407 C CA . TRP A 1 448 ? 79.024 18.524 23.471 1.00 15.70 ? ? ? ? ? ? 448 TRP A CA 1 +ATOM 3408 C C . TRP A 1 448 ? 78.665 17.120 23.929 1.00 17.98 ? ? ? ? ? ? 448 TRP A C 1 +ATOM 3409 O O . TRP A 1 448 ? 79.559 16.391 24.393 1.00 21.92 ? ? ? ? ? ? 448 TRP A O 1 +ATOM 3410 C CB . TRP A 1 448 ? 78.408 19.615 24.346 1.00 12.95 ? ? ? ? ? ? 448 TRP A CB 1 +ATOM 3411 C CG . TRP A 1 448 ? 77.988 19.295 25.754 1.00 9.27 ? ? ? ? ? ? 448 TRP A CG 1 +ATOM 3412 C CD1 . TRP A 1 448 ? 78.771 19.254 26.872 1.00 7.33 ? ? ? ? ? ? 448 TRP A CD1 1 +ATOM 3413 C CD2 . TRP A 1 448 ? 76.639 19.182 26.209 1.00 7.89 ? ? ? ? ? ? 448 TRP A CD2 1 +ATOM 3414 N NE1 . TRP A 1 448 ? 77.990 19.143 27.989 1.00 4.47 ? ? ? ? ? ? 448 TRP A NE1 1 +ATOM 3415 C CE2 . TRP A 1 448 ? 76.676 19.099 27.608 1.00 6.69 ? ? ? ? ? ? 448 TRP A CE2 1 +ATOM 3416 C CE3 . TRP A 1 448 ? 75.394 19.146 25.555 1.00 7.62 ? ? ? ? ? ? 448 TRP A CE3 1 +ATOM 3417 C CZ2 . TRP A 1 448 ? 75.511 18.991 28.377 1.00 8.90 ? ? ? ? ? ? 448 TRP A CZ2 1 +ATOM 3418 C CZ3 . TRP A 1 448 ? 74.249 19.035 26.306 1.00 7.31 ? ? ? ? ? ? 448 TRP A CZ3 1 +ATOM 3419 C CH2 . TRP A 1 448 ? 74.309 18.956 27.707 1.00 7.26 ? ? ? ? ? ? 448 TRP A CH2 1 +ATOM 3420 N N . GLY A 1 449 ? 77.418 16.689 23.771 1.00 16.72 ? ? ? ? ? ? 449 GLY A N 1 +ATOM 3421 C CA . GLY A 1 449 ? 77.094 15.332 24.212 1.00 15.00 ? ? ? ? ? ? 449 GLY A CA 1 +ATOM 3422 C C . GLY A 1 449 ? 77.686 14.192 23.367 1.00 14.29 ? ? ? ? ? ? 449 GLY A C 1 +ATOM 3423 O O . GLY A 1 449 ? 77.594 13.020 23.735 1.00 14.84 ? ? ? ? ? ? 449 GLY A O 1 +ATOM 3424 N N . GLU A 1 450 ? 78.335 14.533 22.257 1.00 12.86 ? ? ? ? ? ? 450 GLU A N 1 +ATOM 3425 C CA . GLU A 1 450 ? 78.894 13.547 21.343 1.00 10.89 ? ? ? ? ? ? 450 GLU A CA 1 +ATOM 3426 C C . GLU A 1 450 ? 80.407 13.317 21.516 1.00 9.86 ? ? ? ? ? ? 450 GLU A C 1 +ATOM 3427 O O . GLU A 1 450 ? 81.052 12.660 20.702 1.00 9.50 ? ? ? ? ? ? 450 GLU A O 1 +ATOM 3428 C CB . GLU A 1 450 ? 78.600 13.987 19.894 1.00 10.81 ? ? ? ? ? ? 450 GLU A CB 1 +ATOM 3429 C CG . GLU A 1 450 ? 77.457 14.987 19.718 1.00 8.51 ? ? ? ? ? ? 450 GLU A CG 1 +ATOM 3430 C CD . GLU A 1 450 ? 76.946 15.071 18.281 1.00 9.72 ? ? ? ? ? ? 450 GLU A CD 1 +ATOM 3431 O OE1 . GLU A 1 450 ? 76.106 14.225 17.931 1.00 13.03 ? ? ? ? ? ? 450 GLU A OE1 1 +ATOM 3432 O OE2 . GLU A 1 450 ? 77.334 15.978 17.498 1.00 7.14 ? ? ? ? ? ? 450 GLU A OE2 1 +ATOM 3433 N N . HIS A 1 451 ? 80.986 13.867 22.569 1.00 9.26 ? ? ? ? ? ? 451 HIS A N 1 +ATOM 3434 C CA . HIS A 1 451 ? 82.422 13.727 22.788 1.00 7.00 ? ? ? ? ? ? 451 HIS A CA 1 +ATOM 3435 C C . HIS A 1 451 ? 82.723 14.081 24.255 1.00 7.51 ? ? ? ? ? ? 451 HIS A C 1 +ATOM 3436 O O . HIS A 1 451 ? 81.795 14.436 24.993 1.00 8.50 ? ? ? ? ? ? 451 HIS A O 1 +ATOM 3437 C CB . HIS A 1 451 ? 83.188 14.621 21.796 1.00 5.31 ? ? ? ? ? ? 451 HIS A CB 1 +ATOM 3438 C CG . HIS A 1 451 ? 82.986 16.096 22.009 1.00 7.20 ? ? ? ? ? ? 451 HIS A CG 1 +ATOM 3439 N ND1 . HIS A 1 451 ? 82.823 16.989 20.969 1.00 4.31 ? ? ? ? ? ? 451 HIS A ND1 1 +ATOM 3440 C CD2 . HIS A 1 451 ? 82.916 16.830 23.149 1.00 7.05 ? ? ? ? ? ? 451 HIS A CD2 1 +ATOM 3441 C CE1 . HIS A 1 451 ? 82.654 18.201 21.461 1.00 5.94 ? ? ? ? ? ? 451 HIS A CE1 1 +ATOM 3442 N NE2 . HIS A 1 451 ? 82.708 18.134 22.780 1.00 6.00 ? ? ? ? ? ? 451 HIS A NE2 1 +ATOM 3443 N N . GLU A 1 452 ? 83.998 14.051 24.656 1.00 6.90 ? ? ? ? ? ? 452 GLU A N 1 +ATOM 3444 C CA . GLU A 1 452 ? 84.406 14.317 26.040 1.00 6.91 ? ? ? ? ? ? 452 GLU A CA 1 +ATOM 3445 C C . GLU A 1 452 ? 85.681 15.173 26.191 1.00 9.33 ? ? ? ? ? ? 452 GLU A C 1 +ATOM 3446 O O . GLU A 1 452 ? 86.335 15.576 25.197 1.00 8.75 ? ? ? ? ? ? 452 GLU A O 1 +ATOM 3447 C CB . GLU A 1 452 ? 84.691 13.002 26.746 1.00 4.68 ? ? ? ? ? ? 452 GLU A CB 1 +ATOM 3448 C CG . GLU A 1 452 ? 85.924 12.365 26.144 1.00 8.54 ? ? ? ? ? ? 452 GLU A CG 1 +ATOM 3449 C CD . GLU A 1 452 ? 86.515 11.219 26.936 1.00 10.75 ? ? ? ? ? ? 452 GLU A CD 1 +ATOM 3450 O OE1 . GLU A 1 452 ? 86.123 10.998 28.115 1.00 13.78 ? ? ? ? ? ? 452 GLU A OE1 1 +ATOM 3451 O OE2 . GLU A 1 452 ? 87.388 10.535 26.351 1.00 7.93 ? ? ? ? ? ? 452 GLU A OE2 1 +ATOM 3452 N N . GLY A 1 453 ? 86.075 15.347 27.455 1.00 9.29 ? ? ? ? ? ? 453 GLY A N 1 +ATOM 3453 C CA . GLY A 1 453 ? 87.250 16.111 27.781 1.00 8.79 ? ? ? ? ? ? 453 GLY A CA 1 +ATOM 3454 C C . GLY A 1 453 ? 87.101 16.769 29.140 1.00 10.60 ? ? ? ? ? ? 453 GLY A C 1 +ATOM 3455 O O . GLY A 1 453 ? 86.368 16.260 30.003 1.00 9.32 ? ? ? ? ? ? 453 GLY A O 1 +ATOM 3456 N N . VAL A 1 454 ? 87.769 17.920 29.304 1.00 10.68 ? ? ? ? ? ? 454 VAL A N 1 +ATOM 3457 C CA . VAL A 1 454 ? 87.778 18.704 30.546 1.00 10.54 ? ? ? ? ? ? 454 VAL A CA 1 +ATOM 3458 C C . VAL A 1 454 ? 87.360 20.158 30.222 1.00 11.26 ? ? ? ? ? ? 454 VAL A C 1 +ATOM 3459 O O . VAL A 1 454 ? 87.567 20.629 29.083 1.00 11.36 ? ? ? ? ? ? 454 VAL A O 1 +ATOM 3460 C CB . VAL A 1 454 ? 89.234 18.728 31.118 1.00 10.26 ? ? ? ? ? ? 454 VAL A CB 1 +ATOM 3461 C CG1 . VAL A 1 454 ? 89.312 19.415 32.472 1.00 9.74 ? ? ? ? ? ? 454 VAL A CG1 1 +ATOM 3462 C CG2 . VAL A 1 454 ? 89.771 17.327 31.220 1.00 10.22 ? ? ? ? ? ? 454 VAL A CG2 1 +ATOM 3463 N N . PHE A 1 455 ? 86.747 20.843 31.195 1.00 9.37 ? ? ? ? ? ? 455 PHE A N 1 +ATOM 3464 C CA . PHE A 1 455 ? 86.336 22.253 31.074 1.00 7.55 ? ? ? ? ? ? 455 PHE A CA 1 +ATOM 3465 C C . PHE A 1 455 ? 86.834 22.912 32.341 1.00 8.37 ? ? ? ? ? ? 455 PHE A C 1 +ATOM 3466 O O . PHE A 1 455 ? 86.954 22.233 33.367 1.00 9.92 ? ? ? ? ? ? 455 PHE A O 1 +ATOM 3467 C CB . PHE A 1 455 ? 84.826 22.389 31.121 1.00 7.34 ? ? ? ? ? ? 455 PHE A CB 1 +ATOM 3468 C CG . PHE A 1 455 ? 84.144 22.200 29.802 1.00 7.46 ? ? ? ? ? ? 455 PHE A CG 1 +ATOM 3469 C CD1 . PHE A 1 455 ? 84.873 22.144 28.621 1.00 7.10 ? ? ? ? ? ? 455 PHE A CD1 1 +ATOM 3470 C CD2 . PHE A 1 455 ? 82.759 22.087 29.749 1.00 5.30 ? ? ? ? ? ? 455 PHE A CD2 1 +ATOM 3471 C CE1 . PHE A 1 455 ? 84.234 21.977 27.416 1.00 5.55 ? ? ? ? ? ? 455 PHE A CE1 1 +ATOM 3472 C CE2 . PHE A 1 455 ? 82.126 21.924 28.563 1.00 4.77 ? ? ? ? ? ? 455 PHE A CE2 1 +ATOM 3473 C CZ . PHE A 1 455 ? 82.867 21.868 27.385 1.00 7.04 ? ? ? ? ? ? 455 PHE A CZ 1 +ATOM 3474 N N . THR A 1 456 ? 87.085 24.218 32.316 1.00 7.73 ? ? ? ? ? ? 456 THR A N 1 +ATOM 3475 C CA . THR A 1 456 ? 87.517 24.903 33.543 1.00 7.20 ? ? ? ? ? ? 456 THR A CA 1 +ATOM 3476 C C . THR A 1 456 ? 86.423 25.870 34.019 1.00 7.14 ? ? ? ? ? ? 456 THR A C 1 +ATOM 3477 O O . THR A 1 456 ? 86.033 26.765 33.278 1.00 6.89 ? ? ? ? ? ? 456 THR A O 1 +ATOM 3478 C CB . THR A 1 456 ? 88.862 25.641 33.338 1.00 5.60 ? ? ? ? ? ? 456 THR A CB 1 +ATOM 3479 O OG1 . THR A 1 456 ? 89.831 24.708 32.856 1.00 7.38 ? ? ? ? ? ? 456 THR A OG1 1 +ATOM 3480 C CG2 . THR A 1 456 ? 89.382 26.175 34.631 1.00 3.96 ? ? ? ? ? ? 456 THR A CG2 1 +ATOM 3481 N N . ALA A 1 457 ? 85.891 25.652 35.226 1.00 6.80 ? ? ? ? ? ? 457 ALA A N 1 +ATOM 3482 C CA . ALA A 1 457 ? 84.841 26.522 35.778 1.00 6.66 ? ? ? ? ? ? 457 ALA A CA 1 +ATOM 3483 C C . ALA A 1 457 ? 85.395 27.938 35.993 1.00 8.33 ? ? ? ? ? ? 457 ALA A C 1 +ATOM 3484 O O . ALA A 1 457 ? 86.622 28.140 36.001 1.00 7.53 ? ? ? ? ? ? 457 ALA A O 1 +ATOM 3485 C CB . ALA A 1 457 ? 84.302 25.953 37.097 1.00 3.37 ? ? ? ? ? ? 457 ALA A CB 1 +ATOM 3486 N N . ALA A 1 458 ? 84.497 28.898 36.227 1.00 9.23 ? ? ? ? ? ? 458 ALA A N 1 +ATOM 3487 C CA . ALA A 1 458 ? 84.873 30.303 36.414 1.00 10.43 ? ? ? ? ? ? 458 ALA A CA 1 +ATOM 3488 C C . ALA A 1 458 ? 86.090 30.536 37.296 1.00 12.10 ? ? ? ? ? ? 458 ALA A C 1 +ATOM 3489 O O . ALA A 1 458 ? 86.967 31.328 36.940 1.00 13.78 ? ? ? ? ? ? 458 ALA A O 1 +ATOM 3490 C CB . ALA A 1 458 ? 83.681 31.125 36.926 1.00 9.83 ? ? ? ? ? ? 458 ALA A CB 1 +ATOM 3491 N N . ASP A 1 459 ? 86.158 29.806 38.410 1.00 13.96 ? ? ? ? ? ? 459 ASP A N 1 +ATOM 3492 C CA . ASP A 1 459 ? 87.232 29.896 39.417 1.00 12.53 ? ? ? ? ? ? 459 ASP A CA 1 +ATOM 3493 C C . ASP A 1 459 ? 88.346 28.915 39.185 1.00 11.87 ? ? ? ? ? ? 459 ASP A C 1 +ATOM 3494 O O . ASP A 1 459 ? 88.748 28.242 40.111 1.00 13.69 ? ? ? ? ? ? 459 ASP A O 1 +ATOM 3495 C CB . ASP A 1 459 ? 86.653 29.571 40.794 1.00 14.26 ? ? ? ? ? ? 459 ASP A CB 1 +ATOM 3496 C CG . ASP A 1 459 ? 85.971 28.173 40.839 1.00 16.30 ? ? ? ? ? ? 459 ASP A CG 1 +ATOM 3497 O OD1 . ASP A 1 459 ? 85.861 27.497 39.794 1.00 15.84 ? ? ? ? ? ? 459 ASP A OD1 1 +ATOM 3498 O OD2 . ASP A 1 459 ? 85.527 27.744 41.924 1.00 17.93 ? ? ? ? ? ? 459 ASP A OD2 1 +ATOM 3499 N N . ARG A 1 460 ? 88.823 28.785 37.960 1.00 12.46 ? ? ? ? ? ? 460 ARG A N 1 +ATOM 3500 C CA . ARG A 1 460 ? 89.911 27.840 37.627 1.00 12.27 ? ? ? ? ? ? 460 ARG A CA 1 +ATOM 3501 C C . ARG A 1 460 ? 89.769 26.369 38.078 1.00 11.96 ? ? ? ? ? ? 460 ARG A C 1 +ATOM 3502 O O . ARG A 1 460 ? 90.761 25.630 38.153 1.00 11.53 ? ? ? ? ? ? 460 ARG A O 1 +ATOM 3503 C CB . ARG A 1 460 ? 91.289 28.422 38.007 1.00 11.67 ? ? ? ? ? ? 460 ARG A CB 1 +ATOM 3504 C CG . ARG A 1 460 ? 91.291 29.177 39.286 1.00 9.49 ? ? ? ? ? ? 460 ARG A CG 1 +ATOM 3505 C CD . ARG A 1 460 ? 92.575 29.861 39.646 1.00 9.72 ? ? ? ? ? ? 460 ARG A CD 1 +ATOM 3506 N NE . ARG A 1 460 ? 92.338 30.453 40.953 1.00 9.79 ? ? ? ? ? ? 460 ARG A NE 1 +ATOM 3507 C CZ . ARG A 1 460 ? 92.198 29.743 42.065 1.00 11.06 ? ? ? ? ? ? 460 ARG A CZ 1 +ATOM 3508 N NH1 . ARG A 1 460 ? 92.318 28.426 42.031 1.00 12.10 ? ? ? ? ? ? 460 ARG A NH1 1 +ATOM 3509 N NH2 . ARG A 1 460 ? 91.755 30.320 43.170 1.00 12.85 ? ? ? ? ? ? 460 ARG A NH2 1 +ATOM 3510 N N . GLY A 1 461 ? 88.525 25.924 38.279 1.00 11.58 ? ? ? ? ? ? 461 GLY A N 1 +ATOM 3511 C CA . GLY A 1 461 ? 88.272 24.553 38.702 1.00 10.23 ? ? ? ? ? ? 461 GLY A CA 1 +ATOM 3512 C C . GLY A 1 461 ? 88.080 23.524 37.592 1.00 9.24 ? ? ? ? ? ? 461 GLY A C 1 +ATOM 3513 O O . GLY A 1 461 ? 87.038 23.510 36.933 1.00 8.42 ? ? ? ? ? ? 461 GLY A O 1 +ATOM 3514 N N . PHE A 1 462 ? 89.086 22.673 37.376 1.00 8.47 ? ? ? ? ? ? 462 PHE A N 1 +ATOM 3515 C CA . PHE A 1 462 ? 89.029 21.622 36.359 1.00 8.14 ? ? ? ? ? ? 462 PHE A CA 1 +ATOM 3516 C C . PHE A 1 462 ? 87.912 20.618 36.639 1.00 9.04 ? ? ? ? ? ? 462 PHE A C 1 +ATOM 3517 O O . PHE A 1 462 ? 87.730 20.173 37.779 1.00 10.20 ? ? ? ? ? ? 462 PHE A O 1 +ATOM 3518 C CB . PHE A 1 462 ? 90.314 20.822 36.338 1.00 8.11 ? ? ? ? ? ? 462 PHE A CB 1 +ATOM 3519 C CG . PHE A 1 462 ? 91.461 21.528 35.750 1.00 10.18 ? ? ? ? ? ? 462 PHE A CG 1 +ATOM 3520 C CD1 . PHE A 1 462 ? 91.330 22.212 34.547 1.00 11.96 ? ? ? ? ? ? 462 PHE A CD1 1 +ATOM 3521 C CD2 . PHE A 1 462 ? 92.712 21.476 36.381 1.00 10.34 ? ? ? ? ? ? 462 PHE A CD2 1 +ATOM 3522 C CE1 . PHE A 1 462 ? 92.437 22.836 33.964 1.00 12.80 ? ? ? ? ? ? 462 PHE A CE1 1 +ATOM 3523 C CE2 . PHE A 1 462 ? 93.811 22.084 35.820 1.00 10.27 ? ? ? ? ? ? 462 PHE A CE2 1 +ATOM 3524 C CZ . PHE A 1 462 ? 93.680 22.770 34.606 1.00 12.84 ? ? ? ? ? ? 462 PHE A CZ 1 +ATOM 3525 N N . GLN A 1 463 ? 87.218 20.197 35.594 1.00 7.48 ? ? ? ? ? ? 463 GLN A N 1 +ATOM 3526 C CA . GLN A 1 463 ? 86.161 19.233 35.758 1.00 8.88 ? ? ? ? ? ? 463 GLN A CA 1 +ATOM 3527 C C . GLN A 1 463 ? 86.074 18.454 34.462 1.00 11.12 ? ? ? ? ? ? 463 GLN A C 1 +ATOM 3528 O O . GLN A 1 463 ? 86.277 19.019 33.368 1.00 11.95 ? ? ? ? ? ? 463 GLN A O 1 +ATOM 3529 C CB . GLN A 1 463 ? 84.819 19.912 36.050 1.00 8.94 ? ? ? ? ? ? 463 GLN A CB 1 +ATOM 3530 C CG . GLN A 1 463 ? 84.662 20.481 37.430 1.00 8.23 ? ? ? ? ? ? 463 GLN A CG 1 +ATOM 3531 C CD . GLN A 1 463 ? 83.219 20.822 37.713 1.00 11.11 ? ? ? ? ? ? 463 GLN A CD 1 +ATOM 3532 O OE1 . GLN A 1 463 ? 82.711 21.862 37.276 1.00 11.56 ? ? ? ? ? ? 463 GLN A OE1 1 +ATOM 3533 N NE2 . GLN A 1 463 ? 82.535 19.943 38.444 1.00 10.35 ? ? ? ? ? ? 463 GLN A NE2 1 +ATOM 3534 N N . ARG A 1 464 ? 85.730 17.172 34.598 1.00 10.65 ? ? ? ? ? ? 464 ARG A N 1 +ATOM 3535 C CA . ARG A 1 464 ? 85.616 16.252 33.488 1.00 9.61 ? ? ? ? ? ? 464 ARG A CA 1 +ATOM 3536 C C . ARG A 1 464 ? 84.190 16.169 32.960 1.00 10.39 ? ? ? ? ? ? 464 ARG A C 1 +ATOM 3537 O O . ARG A 1 464 ? 83.226 16.294 33.714 1.00 10.76 ? ? ? ? ? ? 464 ARG A O 1 +ATOM 3538 C CB . ARG A 1 464 ? 86.052 14.853 33.946 1.00 10.48 ? ? ? ? ? ? 464 ARG A CB 1 +ATOM 3539 C CG . ARG A 1 464 ? 87.561 14.591 33.995 1.00 9.52 ? ? ? ? ? ? 464 ARG A CG 1 +ATOM 3540 C CD . ARG A 1 464 ? 87.929 13.410 33.128 1.00 9.12 ? ? ? ? ? ? 464 ARG A CD 1 +ATOM 3541 N NE . ARG A 1 464 ? 87.600 13.667 31.728 1.00 11.36 ? ? ? ? ? ? 464 ARG A NE 1 +ATOM 3542 C CZ . ARG A 1 464 ? 87.240 12.740 30.833 1.00 12.88 ? ? ? ? ? ? 464 ARG A CZ 1 +ATOM 3543 N NH1 . ARG A 1 464 ? 87.162 11.454 31.164 1.00 12.27 ? ? ? ? ? ? 464 ARG A NH1 1 +ATOM 3544 N NH2 . ARG A 1 464 ? 86.906 13.120 29.605 1.00 13.39 ? ? ? ? ? ? 464 ARG A NH2 1 +ATOM 3545 N N . PHE A 1 465 ? 84.071 15.948 31.654 1.00 10.68 ? ? ? ? ? ? 465 PHE A N 1 +ATOM 3546 C CA . PHE A 1 465 ? 82.785 15.792 30.995 1.00 10.77 ? ? ? ? ? ? 465 PHE A CA 1 +ATOM 3547 C C . PHE A 1 465 ? 82.870 14.543 30.080 1.00 10.51 ? ? ? ? ? ? 465 PHE A C 1 +ATOM 3548 O O . PHE A 1 465 ? 83.885 14.311 29.427 1.00 11.40 ? ? ? ? ? ? 465 PHE A O 1 +ATOM 3549 C CB . PHE A 1 465 ? 82.308 17.118 30.333 1.00 9.62 ? ? ? ? ? ? 465 PHE A CB 1 +ATOM 3550 C CG . PHE A 1 465 ? 82.880 17.420 28.955 1.00 10.38 ? ? ? ? ? ? 465 PHE A CG 1 +ATOM 3551 C CD1 . PHE A 1 465 ? 82.185 17.043 27.800 1.00 11.79 ? ? ? ? ? ? 465 PHE A CD1 1 +ATOM 3552 C CD2 . PHE A 1 465 ? 84.006 18.213 28.805 1.00 9.73 ? ? ? ? ? ? 465 PHE A CD2 1 +ATOM 3553 C CE1 . PHE A 1 465 ? 82.589 17.458 26.522 1.00 10.73 ? ? ? ? ? ? 465 PHE A CE1 1 +ATOM 3554 C CE2 . PHE A 1 465 ? 84.419 18.631 27.534 1.00 10.49 ? ? ? ? ? ? 465 PHE A CE2 1 +ATOM 3555 C CZ . PHE A 1 465 ? 83.698 18.252 26.390 1.00 11.01 ? ? ? ? ? ? 465 PHE A CZ 1 +ATOM 3556 N N . PHE A 1 466 ? 81.823 13.725 30.088 1.00 10.26 ? ? ? ? ? ? 466 PHE A N 1 +ATOM 3557 C CA . PHE A 1 466 ? 81.807 12.459 29.365 1.00 10.90 ? ? ? ? ? ? 466 PHE A CA 1 +ATOM 3558 C C . PHE A 1 466 ? 80.937 12.330 28.117 1.00 12.38 ? ? ? ? ? ? 466 PHE A C 1 +ATOM 3559 O O . PHE A 1 466 ? 79.908 12.994 27.993 1.00 15.31 ? ? ? ? ? ? 466 PHE A O 1 +ATOM 3560 C CB . PHE A 1 466 ? 81.452 11.346 30.365 1.00 9.21 ? ? ? ? ? ? 466 PHE A CB 1 +ATOM 3561 C CG . PHE A 1 466 ? 82.390 11.278 31.564 1.00 8.55 ? ? ? ? ? ? 466 PHE A CG 1 +ATOM 3562 C CD1 . PHE A 1 466 ? 82.145 12.034 32.701 1.00 6.22 ? ? ? ? ? ? 466 PHE A CD1 1 +ATOM 3563 C CD2 . PHE A 1 466 ? 83.549 10.492 31.522 1.00 7.86 ? ? ? ? ? ? 466 PHE A CD2 1 +ATOM 3564 C CE1 . PHE A 1 466 ? 83.031 12.020 33.778 1.00 9.18 ? ? ? ? ? ? 466 PHE A CE1 1 +ATOM 3565 C CE2 . PHE A 1 466 ? 84.447 10.471 32.598 1.00 8.02 ? ? ? ? ? ? 466 PHE A CE2 1 +ATOM 3566 C CZ . PHE A 1 466 ? 84.188 11.239 33.727 1.00 7.50 ? ? ? ? ? ? 466 PHE A CZ 1 +ATOM 3567 N N . LYS A 1 467 ? 81.347 11.466 27.190 1.00 11.98 ? ? ? ? ? ? 467 LYS A N 1 +ATOM 3568 C CA . LYS A 1 467 ? 80.569 11.242 25.969 1.00 13.90 ? ? ? ? ? ? 467 LYS A CA 1 +ATOM 3569 C C . LYS A 1 467 ? 79.270 10.470 26.281 1.00 14.74 ? ? ? ? ? ? 467 LYS A C 1 +ATOM 3570 O O . LYS A 1 467 ? 79.322 9.384 26.873 1.00 16.04 ? ? ? ? ? ? 467 LYS A O 1 +ATOM 3571 C CB . LYS A 1 467 ? 81.375 10.430 24.943 1.00 13.58 ? ? ? ? ? ? 467 LYS A CB 1 +ATOM 3572 C CG . LYS A 1 467 ? 80.646 10.270 23.599 1.00 12.84 ? ? ? ? ? ? 467 LYS A CG 1 +ATOM 3573 C CD . LYS A 1 467 ? 81.187 9.141 22.734 1.00 11.41 ? ? ? ? ? ? 467 LYS A CD 1 +ATOM 3574 C CE . LYS A 1 467 ? 81.252 9.585 21.288 1.00 10.73 ? ? ? ? ? ? 467 LYS A CE 1 +ATOM 3575 N NZ . LYS A 1 467 ? 81.310 8.479 20.321 1.00 11.12 ? ? ? ? ? ? 467 LYS A NZ 1 +ATOM 3576 N N . ALA A 1 468 ? 78.122 10.998 25.856 1.00 13.83 ? ? ? ? ? ? 468 ALA A N 1 +ATOM 3577 C CA . ALA A 1 468 ? 76.856 10.323 26.115 1.00 13.30 ? ? ? ? ? ? 468 ALA A CA 1 +ATOM 3578 C C . ALA A 1 468 ? 76.299 9.605 24.912 1.00 14.73 ? ? ? ? ? ? 468 ALA A C 1 +ATOM 3579 O O . ALA A 1 468 ? 75.657 8.554 25.027 1.00 15.83 ? ? ? ? ? ? 468 ALA A O 1 +ATOM 3580 C CB . ALA A 1 468 ? 75.833 11.315 26.590 1.00 12.21 ? ? ? ? ? ? 468 ALA A CB 1 +ATOM 3581 N N . VAL A 1 469 ? 76.614 10.116 23.736 1.00 16.27 ? ? ? ? ? ? 469 VAL A N 1 +ATOM 3582 C CA . VAL A 1 469 ? 76.017 9.560 22.551 1.00 17.03 ? ? ? ? ? ? 469 VAL A CA 1 +ATOM 3583 C C . VAL A 1 469 ? 76.962 9.533 21.348 1.00 17.17 ? ? ? ? ? ? 469 VAL A C 1 +ATOM 3584 O O . VAL A 1 469 ? 78.118 9.879 21.476 1.00 19.32 ? ? ? ? ? ? 469 VAL A O 1 +ATOM 3585 C CB . VAL A 1 469 ? 74.719 10.371 22.307 1.00 17.13 ? ? ? ? ? ? 469 VAL A CB 1 +ATOM 3586 C CG1 . VAL A 1 469 ? 74.961 11.558 21.388 1.00 17.60 ? ? ? ? ? ? 469 VAL A CG1 1 +ATOM 3587 C CG2 . VAL A 1 469 ? 73.600 9.475 21.892 1.00 18.83 ? ? ? ? ? ? 469 VAL A CG2 1 +ATOM 3588 N N . GLU A 1 470 ? 76.489 9.069 20.198 1.00 18.07 ? ? ? ? ? ? 470 GLU A N 1 +ATOM 3589 C CA . GLU A 1 470 ? 77.314 9.000 19.000 1.00 18.26 ? ? ? ? ? ? 470 GLU A CA 1 +ATOM 3590 C C . GLU A 1 470 ? 76.755 9.985 18.016 1.00 18.37 ? ? ? ? ? ? 470 GLU A C 1 +ATOM 3591 O O . GLU A 1 470 ? 75.557 10.241 18.017 1.00 19.88 ? ? ? ? ? ? 470 GLU A O 1 +ATOM 3592 C CB . GLU A 1 470 ? 77.224 7.615 18.371 1.00 19.74 ? ? ? ? ? ? 470 GLU A CB 1 +ATOM 3593 C CG . GLU A 1 470 ? 77.680 6.481 19.265 1.00 23.78 ? ? ? ? ? ? 470 GLU A CG 1 +ATOM 3594 C CD . GLU A 1 470 ? 79.165 6.171 19.152 1.00 25.75 ? ? ? ? ? ? 470 GLU A CD 1 +ATOM 3595 O OE1 . GLU A 1 470 ? 79.842 6.692 18.228 1.00 26.27 ? ? ? ? ? ? 470 GLU A OE1 1 +ATOM 3596 O OE2 . GLU A 1 470 ? 79.650 5.378 19.992 1.00 27.84 ? ? ? ? ? ? 470 GLU A OE2 1 +ATOM 3597 N N . PRO A 1 471 ? 77.614 10.622 17.221 1.00 18.96 ? ? ? ? ? ? 471 PRO A N 1 +ATOM 3598 C CA . PRO A 1 471 ? 77.079 11.579 16.251 1.00 20.15 ? ? ? ? ? ? 471 PRO A CA 1 +ATOM 3599 C C . PRO A 1 471 ? 76.318 10.816 15.166 1.00 22.37 ? ? ? ? ? ? 471 PRO A C 1 +ATOM 3600 O O . PRO A 1 471 ? 76.693 9.699 14.831 1.00 23.30 ? ? ? ? ? ? 471 PRO A O 1 +ATOM 3601 C CB . PRO A 1 471 ? 78.338 12.271 15.722 1.00 18.72 ? ? ? ? ? ? 471 PRO A CB 1 +ATOM 3602 C CG . PRO A 1 471 ? 79.426 11.298 15.978 1.00 17.98 ? ? ? ? ? ? 471 PRO A CG 1 +ATOM 3603 C CD . PRO A 1 471 ? 79.081 10.690 17.290 1.00 18.28 ? ? ? ? ? ? 471 PRO A CD 1 +ATOM 3604 N N . LYS A 1 472 ? 75.202 11.358 14.684 1.00 23.36 ? ? ? ? ? ? 472 LYS A N 1 +ATOM 3605 C CA . LYS A 1 472 ? 74.450 10.657 13.650 1.00 24.59 ? ? ? ? ? ? 472 LYS A CA 1 +ATOM 3606 C C . LYS A 1 472 ? 75.083 10.852 12.284 1.00 24.79 ? ? ? ? ? ? 472 LYS A C 1 +ATOM 3607 O O . LYS A 1 472 ? 74.645 10.255 11.296 1.00 26.53 ? ? ? ? ? ? 472 LYS A O 1 +ATOM 3608 C CB . LYS A 1 472 ? 72.972 11.089 13.614 1.00 26.23 ? ? ? ? ? ? 472 LYS A CB 1 +ATOM 3609 C CG . LYS A 1 472 ? 72.194 10.733 14.882 1.00 30.60 ? ? ? ? ? ? 472 LYS A CG 1 +ATOM 3610 C CD . LYS A 1 472 ? 72.437 9.259 15.306 1.00 34.23 ? ? ? ? ? ? 472 LYS A CD 1 +ATOM 3611 C CE . LYS A 1 472 ? 72.161 8.995 16.810 1.00 33.67 ? ? ? ? ? ? 472 LYS A CE 1 +ATOM 3612 N NZ . LYS A 1 472 ? 73.377 8.493 17.532 1.00 30.46 ? ? ? ? ? ? 472 LYS A NZ 1 +ATOM 3613 N N . TRP A 1 473 ? 76.132 11.659 12.224 1.00 23.13 ? ? ? ? ? ? 473 TRP A N 1 +ATOM 3614 C CA . TRP A 1 473 ? 76.782 11.912 10.951 1.00 21.94 ? ? ? ? ? ? 473 TRP A CA 1 +ATOM 3615 C C . TRP A 1 473 ? 78.268 11.688 11.055 1.00 19.16 ? ? ? ? ? ? 473 TRP A C 1 +ATOM 3616 O O . TRP A 1 473 ? 78.800 11.509 12.137 1.00 17.33 ? ? ? ? ? ? 473 TRP A O 1 +ATOM 3617 C CB . TRP A 1 473 ? 76.516 13.341 10.487 1.00 24.16 ? ? ? ? ? ? 473 TRP A CB 1 +ATOM 3618 C CG . TRP A 1 473 ? 75.069 13.732 10.499 1.00 28.47 ? ? ? ? ? ? 473 TRP A CG 1 +ATOM 3619 C CD1 . TRP A 1 473 ? 74.131 13.423 9.561 1.00 29.83 ? ? ? ? ? ? 473 TRP A CD1 1 +ATOM 3620 C CD2 . TRP A 1 473 ? 74.410 14.555 11.468 1.00 30.12 ? ? ? ? ? ? 473 TRP A CD2 1 +ATOM 3621 N NE1 . TRP A 1 473 ? 72.933 14.012 9.879 1.00 30.94 ? ? ? ? ? ? 473 TRP A NE1 1 +ATOM 3622 C CE2 . TRP A 1 473 ? 73.078 14.713 11.045 1.00 31.04 ? ? ? ? ? ? 473 TRP A CE2 1 +ATOM 3623 C CE3 . TRP A 1 473 ? 74.819 15.170 12.658 1.00 31.73 ? ? ? ? ? ? 473 TRP A CE3 1 +ATOM 3624 C CZ2 . TRP A 1 473 ? 72.148 15.463 11.765 1.00 32.96 ? ? ? ? ? ? 473 TRP A CZ2 1 +ATOM 3625 C CZ3 . TRP A 1 473 ? 73.897 15.910 13.377 1.00 33.09 ? ? ? ? ? ? 473 TRP A CZ3 1 +ATOM 3626 C CH2 . TRP A 1 473 ? 72.575 16.051 12.929 1.00 34.11 ? ? ? ? ? ? 473 TRP A CH2 1 +ATOM 3627 N N . ASP A 1 474 ? 78.927 11.668 9.908 1.00 17.86 ? ? ? ? ? ? 474 ASP A N 1 +ATOM 3628 C CA . ASP A 1 474 ? 80.368 11.482 9.858 1.00 17.09 ? ? ? ? ? ? 474 ASP A CA 1 +ATOM 3629 C C . ASP A 1 474 ? 81.052 12.788 10.279 1.00 16.36 ? ? ? ? ? ? 474 ASP A C 1 +ATOM 3630 O O . ASP A 1 474 ? 81.430 13.618 9.450 1.00 16.74 ? ? ? ? ? ? 474 ASP A O 1 +ATOM 3631 C CB . ASP A 1 474 ? 80.805 11.035 8.457 1.00 16.05 ? ? ? ? ? ? 474 ASP A CB 1 +ATOM 3632 C CG . ASP A 1 474 ? 82.303 10.921 8.323 1.00 17.61 ? ? ? ? ? ? 474 ASP A CG 1 +ATOM 3633 O OD1 . ASP A 1 474 ? 83.002 10.922 9.371 1.00 18.99 ? ? ? ? ? ? 474 ASP A OD1 1 +ATOM 3634 O OD2 . ASP A 1 474 ? 82.786 10.836 7.169 1.00 16.99 ? ? ? ? ? ? 474 ASP A OD2 1 +ATOM 3635 N N . LEU A 1 475 ? 81.193 12.966 11.581 1.00 14.54 ? ? ? ? ? ? 475 LEU A N 1 +ATOM 3636 C CA . LEU A 1 475 ? 81.805 14.161 12.106 1.00 13.57 ? ? ? ? ? ? 475 LEU A CA 1 +ATOM 3637 C C . LEU A 1 475 ? 83.090 13.792 12.831 1.00 12.54 ? ? ? ? ? ? 475 LEU A C 1 +ATOM 3638 O O . LEU A 1 475 ? 83.276 12.642 13.220 1.00 12.85 ? ? ? ? ? ? 475 LEU A O 1 +ATOM 3639 C CB . LEU A 1 475 ? 80.842 14.821 13.095 1.00 15.35 ? ? ? ? ? ? 475 LEU A CB 1 +ATOM 3640 C CG . LEU A 1 475 ? 79.399 15.035 12.630 1.00 17.15 ? ? ? ? ? ? 475 LEU A CG 1 +ATOM 3641 C CD1 . LEU A 1 475 ? 78.565 15.617 13.759 1.00 14.87 ? ? ? ? ? ? 475 LEU A CD1 1 +ATOM 3642 C CD2 . LEU A 1 475 ? 79.354 15.912 11.370 1.00 16.84 ? ? ? ? ? ? 475 LEU A CD2 1 +ATOM 3643 N N . LYS A 1 476 ? 83.987 14.760 12.977 1.00 10.91 ? ? ? ? ? ? 476 LYS A N 1 +ATOM 3644 C CA . LYS A 1 476 ? 85.232 14.547 13.713 1.00 10.07 ? ? ? ? ? ? 476 LYS A CA 1 +ATOM 3645 C C . LYS A 1 476 ? 85.241 15.416 14.987 1.00 10.62 ? ? ? ? ? ? 476 LYS A C 1 +ATOM 3646 O O . LYS A 1 476 ? 84.440 16.359 15.134 1.00 10.96 ? ? ? ? ? ? 476 LYS A O 1 +ATOM 3647 C CB . LYS A 1 476 ? 86.429 14.874 12.835 1.00 6.15 ? ? ? ? ? ? 476 LYS A CB 1 +ATOM 3648 C CG . LYS A 1 476 ? 86.674 13.833 11.775 1.00 4.07 ? ? ? ? ? ? 476 LYS A CG 1 +ATOM 3649 C CD . LYS A 1 476 ? 86.958 14.448 10.428 1.00 2.00 ? ? ? ? ? ? 476 LYS A CD 1 +ATOM 3650 C CE . LYS A 1 476 ? 87.701 13.487 9.525 1.00 2.00 ? ? ? ? ? ? 476 LYS A CE 1 +ATOM 3651 N NZ . LYS A 1 476 ? 87.141 12.093 9.558 1.00 5.55 ? ? ? ? ? ? 476 LYS A NZ 1 +ATOM 3652 N N . THR A 1 477 ? 86.046 15.051 15.969 1.00 9.51 ? ? ? ? ? ? 477 THR A N 1 +ATOM 3653 C CA . THR A 1 477 ? 86.081 15.895 17.146 1.00 9.85 ? ? ? ? ? ? 477 THR A CA 1 +ATOM 3654 C C . THR A 1 477 ? 86.950 17.016 16.636 1.00 12.44 ? ? ? ? ? ? 477 THR A C 1 +ATOM 3655 O O . THR A 1 477 ? 87.729 16.790 15.698 1.00 15.20 ? ? ? ? ? ? 477 THR A O 1 +ATOM 3656 C CB . THR A 1 477 ? 86.744 15.210 18.309 1.00 6.79 ? ? ? ? ? ? 477 THR A CB 1 +ATOM 3657 O OG1 . THR A 1 477 ? 87.938 14.582 17.851 1.00 8.31 ? ? ? ? ? ? 477 THR A OG1 1 +ATOM 3658 C CG2 . THR A 1 477 ? 85.835 14.177 18.874 1.00 4.60 ? ? ? ? ? ? 477 THR A CG2 1 +ATOM 3659 N N . ASP A 1 478 ? 86.789 18.226 17.169 1.00 12.92 ? ? ? ? ? ? 478 ASP A N 1 +ATOM 3660 C CA . ASP A 1 478 ? 87.603 19.349 16.712 1.00 10.88 ? ? ? ? ? ? 478 ASP A CA 1 +ATOM 3661 C C . ASP A 1 478 ? 89.075 19.001 16.680 1.00 11.44 ? ? ? ? ? ? 478 ASP A C 1 +ATOM 3662 O O . ASP A 1 478 ? 89.756 19.308 15.698 1.00 12.64 ? ? ? ? ? ? 478 ASP A O 1 +ATOM 3663 C CB . ASP A 1 478 ? 87.361 20.593 17.551 1.00 10.89 ? ? ? ? ? ? 478 ASP A CB 1 +ATOM 3664 C CG . ASP A 1 478 ? 86.054 21.274 17.201 1.00 10.30 ? ? ? ? ? ? 478 ASP A CG 1 +ATOM 3665 O OD1 . ASP A 1 478 ? 85.957 21.982 16.182 1.00 9.35 ? ? ? ? ? ? 478 ASP A OD1 1 +ATOM 3666 O OD2 . ASP A 1 478 ? 85.095 21.074 17.938 1.00 12.13 ? ? ? ? ? ? 478 ASP A OD2 1 +ATOM 3667 N N . TRP A 1 479 ? 89.571 18.294 17.689 1.00 10.39 ? ? ? ? ? ? 479 TRP A N 1 +ATOM 3668 C CA . TRP A 1 479 ? 90.979 17.950 17.640 1.00 10.69 ? ? ? ? ? ? 479 TRP A CA 1 +ATOM 3669 C C . TRP A 1 479 ? 91.356 16.948 16.547 1.00 10.59 ? ? ? ? ? ? 479 TRP A C 1 +ATOM 3670 O O . TRP A 1 479 ? 92.482 16.960 16.070 1.00 11.34 ? ? ? ? ? ? 479 TRP A O 1 +ATOM 3671 C CB . TRP A 1 479 ? 91.522 17.550 19.006 1.00 10.52 ? ? ? ? ? ? 479 TRP A CB 1 +ATOM 3672 C CG . TRP A 1 479 ? 90.795 16.484 19.678 1.00 11.63 ? ? ? ? ? ? 479 TRP A CG 1 +ATOM 3673 C CD1 . TRP A 1 479 ? 89.897 16.630 20.693 1.00 12.97 ? ? ? ? ? ? 479 TRP A CD1 1 +ATOM 3674 C CD2 . TRP A 1 479 ? 90.924 15.075 19.447 1.00 12.63 ? ? ? ? ? ? 479 TRP A CD2 1 +ATOM 3675 N NE1 . TRP A 1 479 ? 89.458 15.394 21.117 1.00 14.98 ? ? ? ? ? ? 479 TRP A NE1 1 +ATOM 3676 C CE2 . TRP A 1 479 ? 90.069 14.421 20.364 1.00 14.46 ? ? ? ? ? ? 479 TRP A CE2 1 +ATOM 3677 C CE3 . TRP A 1 479 ? 91.673 14.301 18.554 1.00 12.69 ? ? ? ? ? ? 479 TRP A CE3 1 +ATOM 3678 C CZ2 . TRP A 1 479 ? 89.937 13.027 20.406 1.00 12.55 ? ? ? ? ? ? 479 TRP A CZ2 1 +ATOM 3679 C CZ3 . TRP A 1 479 ? 91.537 12.917 18.598 1.00 14.04 ? ? ? ? ? ? 479 TRP A CZ3 1 +ATOM 3680 C CH2 . TRP A 1 479 ? 90.672 12.298 19.518 1.00 13.84 ? ? ? ? ? ? 479 TRP A CH2 1 +ATOM 3681 N N . GLN A 1 480 ? 90.429 16.096 16.128 1.00 10.97 ? ? ? ? ? ? 480 GLN A N 1 +ATOM 3682 C CA . GLN A 1 480 ? 90.730 15.144 15.057 1.00 11.29 ? ? ? ? ? ? 480 GLN A CA 1 +ATOM 3683 C C . GLN A 1 480 ? 90.847 15.861 13.724 1.00 11.04 ? ? ? ? ? ? 480 GLN A C 1 +ATOM 3684 O O . GLN A 1 480 ? 91.677 15.505 12.896 1.00 13.74 ? ? ? ? ? ? 480 GLN A O 1 +ATOM 3685 C CB . GLN A 1 480 ? 89.662 14.063 14.953 1.00 12.59 ? ? ? ? ? ? 480 GLN A CB 1 +ATOM 3686 C CG . GLN A 1 480 ? 89.934 12.895 15.863 1.00 15.48 ? ? ? ? ? ? 480 GLN A CG 1 +ATOM 3687 C CD . GLN A 1 480 ? 88.718 12.059 16.135 1.00 16.33 ? ? ? ? ? ? 480 GLN A CD 1 +ATOM 3688 O OE1 . GLN A 1 480 ? 87.590 12.537 16.047 1.00 18.80 ? ? ? ? ? ? 480 GLN A OE1 1 +ATOM 3689 N NE2 . GLN A 1 480 ? 88.934 10.807 16.487 1.00 18.89 ? ? ? ? ? ? 480 GLN A NE2 1 +ATOM 3690 N N . ILE A 1 481 ? 90.053 16.898 13.522 1.00 9.54 ? ? ? ? ? ? 481 ILE A N 1 +ATOM 3691 C CA . ILE A 1 481 ? 90.122 17.621 12.270 1.00 9.27 ? ? ? ? ? ? 481 ILE A CA 1 +ATOM 3692 C C . ILE A 1 481 ? 91.446 18.348 12.181 1.00 9.88 ? ? ? ? ? ? 481 ILE A C 1 +ATOM 3693 O O . ILE A 1 481 ? 92.189 18.135 11.250 1.00 12.20 ? ? ? ? ? ? 481 ILE A O 1 +ATOM 3694 C CB . ILE A 1 481 ? 88.982 18.617 12.121 1.00 9.49 ? ? ? ? ? ? 481 ILE A CB 1 +ATOM 3695 C CG1 . ILE A 1 481 ? 87.626 17.907 12.289 1.00 7.35 ? ? ? ? ? ? 481 ILE A CG1 1 +ATOM 3696 C CG2 . ILE A 1 481 ? 89.100 19.281 10.770 1.00 10.60 ? ? ? ? ? ? 481 ILE A CG2 1 +ATOM 3697 C CD1 . ILE A 1 481 ? 86.426 18.762 12.030 1.00 3.24 ? ? ? ? ? ? 481 ILE A CD1 1 +ATOM 3698 N N . ILE A 1 482 ? 91.762 19.172 13.175 1.00 10.65 ? ? ? ? ? ? 482 ILE A N 1 +ATOM 3699 C CA . ILE A 1 482 ? 93.033 19.911 13.218 1.00 10.56 ? ? ? ? ? ? 482 ILE A CA 1 +ATOM 3700 C C . ILE A 1 482 ? 94.215 18.947 13.131 1.00 11.38 ? ? ? ? ? ? 482 ILE A C 1 +ATOM 3701 O O . ILE A 1 482 ? 95.217 19.258 12.493 1.00 12.13 ? ? ? ? ? ? 482 ILE A O 1 +ATOM 3702 C CB . ILE A 1 482 ? 93.199 20.706 14.537 1.00 10.07 ? ? ? ? ? ? 482 ILE A CB 1 +ATOM 3703 C CG1 . ILE A 1 482 ? 92.141 21.815 14.638 1.00 11.35 ? ? ? ? ? ? 482 ILE A CG1 1 +ATOM 3704 C CG2 . ILE A 1 482 ? 94.578 21.305 14.607 1.00 9.64 ? ? ? ? ? ? 482 ILE A CG2 1 +ATOM 3705 C CD1 . ILE A 1 482 ? 91.799 22.241 16.089 1.00 11.06 ? ? ? ? ? ? 482 ILE A CD1 1 +ATOM 3706 N N . SER A 1 483 ? 94.130 17.797 13.797 1.00 12.16 ? ? ? ? ? ? 483 SER A N 1 +ATOM 3707 C CA . SER A 1 483 ? 95.221 16.830 13.739 1.00 13.32 ? ? ? ? ? ? 483 SER A CA 1 +ATOM 3708 C C . SER A 1 483 ? 95.454 16.354 12.300 1.00 13.51 ? ? ? ? ? ? 483 SER A C 1 +ATOM 3709 O O . SER A 1 483 ? 96.594 16.282 11.828 1.00 13.47 ? ? ? ? ? ? 483 SER A O 1 +ATOM 3710 C CB . SER A 1 483 ? 94.954 15.632 14.659 1.00 14.20 ? ? ? ? ? ? 483 SER A CB 1 +ATOM 3711 O OG . SER A 1 483 ? 95.109 15.954 16.032 1.00 15.27 ? ? ? ? ? ? 483 SER A OG 1 +ATOM 3712 N N . GLU A 1 484 ? 94.373 16.113 11.571 1.00 13.23 ? ? ? ? ? ? 484 GLU A N 1 +ATOM 3713 C CA . GLU A 1 484 ? 94.510 15.635 10.206 1.00 13.48 ? ? ? ? ? ? 484 GLU A CA 1 +ATOM 3714 C C . GLU A 1 484 ? 95.081 16.668 9.244 1.00 11.78 ? ? ? ? ? ? 484 GLU A C 1 +ATOM 3715 O O . GLU A 1 484 ? 95.792 16.324 8.310 1.00 11.06 ? ? ? ? ? ? 484 GLU A O 1 +ATOM 3716 C CB . GLU A 1 484 ? 93.182 15.104 9.701 1.00 15.05 ? ? ? ? ? ? 484 GLU A CB 1 +ATOM 3717 C CG . GLU A 1 484 ? 93.312 14.307 8.421 1.00 18.88 ? ? ? ? ? ? 484 GLU A CG 1 +ATOM 3718 C CD . GLU A 1 484 ? 92.091 13.450 8.153 1.00 20.97 ? ? ? ? ? ? 484 GLU A CD 1 +ATOM 3719 O OE1 . GLU A 1 484 ? 91.416 13.062 9.138 1.00 23.05 ? ? ? ? ? ? 484 GLU A OE1 1 +ATOM 3720 O OE2 . GLU A 1 484 ? 91.813 13.161 6.966 1.00 22.07 ? ? ? ? ? ? 484 GLU A OE2 1 +ATOM 3721 N N . ILE A 1 485 ? 94.751 17.932 9.459 1.00 11.94 ? ? ? ? ? ? 485 ILE A N 1 +ATOM 3722 C CA . ILE A 1 485 ? 95.260 19.015 8.613 1.00 11.44 ? ? ? ? ? ? 485 ILE A CA 1 +ATOM 3723 C C . ILE A 1 485 ? 96.753 19.227 8.895 1.00 11.10 ? ? ? ? ? ? 485 ILE A C 1 +ATOM 3724 O O . ILE A 1 485 ? 97.545 19.420 7.965 1.00 10.59 ? ? ? ? ? ? 485 ILE A O 1 +ATOM 3725 C CB . ILE A 1 485 ? 94.488 20.316 8.831 1.00 9.38 ? ? ? ? ? ? 485 ILE A CB 1 +ATOM 3726 C CG1 . ILE A 1 485 ? 92.997 20.085 8.569 1.00 11.38 ? ? ? ? ? ? 485 ILE A CG1 1 +ATOM 3727 C CG2 . ILE A 1 485 ? 94.971 21.332 7.875 1.00 9.57 ? ? ? ? ? ? 485 ILE A CG2 1 +ATOM 3728 C CD1 . ILE A 1 485 ? 92.115 21.340 8.689 1.00 11.28 ? ? ? ? ? ? 485 ILE A CD1 1 +ATOM 3729 N N . ALA A 1 486 ? 97.120 19.126 10.174 1.00 10.44 ? ? ? ? ? ? 486 ALA A N 1 +ATOM 3730 C CA . ALA A 1 486 ? 98.493 19.247 10.625 1.00 10.11 ? ? ? ? ? ? 486 ALA A CA 1 +ATOM 3731 C C . ALA A 1 486 ? 99.281 18.170 9.889 1.00 11.09 ? ? ? ? ? ? 486 ALA A C 1 +ATOM 3732 O O . ALA A 1 486 ? 100.274 18.449 9.207 1.00 13.00 ? ? ? ? ? ? 486 ALA A O 1 +ATOM 3733 C CB . ALA A 1 486 ? 98.558 19.004 12.109 1.00 9.86 ? ? ? ? ? ? 486 ALA A CB 1 +ATOM 3734 N N . THR A 1 487 ? 98.798 16.939 9.978 1.00 10.98 ? ? ? ? ? ? 487 THR A N 1 +ATOM 3735 C CA . THR A 1 487 ? 99.435 15.825 9.306 1.00 10.29 ? ? ? ? ? ? 487 THR A CA 1 +ATOM 3736 C C . THR A 1 487 ? 99.541 16.071 7.802 1.00 10.65 ? ? ? ? ? ? 487 THR A C 1 +ATOM 3737 O O . THR A 1 487 ? 100.594 15.868 7.214 1.00 12.01 ? ? ? ? ? ? 487 THR A O 1 +ATOM 3738 C CB . THR A 1 487 ? 98.657 14.517 9.546 1.00 10.13 ? ? ? ? ? ? 487 THR A CB 1 +ATOM 3739 O OG1 . THR A 1 487 ? 98.457 14.321 10.956 1.00 10.69 ? ? ? ? ? ? 487 THR A OG1 1 +ATOM 3740 C CG2 . THR A 1 487 ? 99.436 13.331 8.982 1.00 10.10 ? ? ? ? ? ? 487 THR A CG2 1 +ATOM 3741 N N . ARG A 1 488 ? 98.463 16.529 7.173 1.00 11.54 ? ? ? ? ? ? 488 ARG A N 1 +ATOM 3742 C CA . ARG A 1 488 ? 98.491 16.769 5.733 1.00 13.01 ? ? ? ? ? ? 488 ARG A CA 1 +ATOM 3743 C C . ARG A 1 488 ? 99.466 17.872 5.344 1.00 14.43 ? ? ? ? ? ? 488 ARG A C 1 +ATOM 3744 O O . ARG A 1 488 ? 99.950 17.942 4.203 1.00 15.25 ? ? ? ? ? ? 488 ARG A O 1 +ATOM 3745 C CB . ARG A 1 488 ? 97.090 17.041 5.200 1.00 11.21 ? ? ? ? ? ? 488 ARG A CB 1 +ATOM 3746 C CG . ARG A 1 488 ? 96.196 15.818 5.316 1.00 11.54 ? ? ? ? ? ? 488 ARG A CG 1 +ATOM 3747 C CD . ARG A 1 488 ? 94.815 16.089 4.779 1.00 12.15 ? ? ? ? ? ? 488 ARG A CD 1 +ATOM 3748 N NE . ARG A 1 488 ? 93.970 14.913 4.874 1.00 11.42 ? ? ? ? ? ? 488 ARG A NE 1 +ATOM 3749 C CZ . ARG A 1 488 ? 93.434 14.303 3.825 1.00 12.18 ? ? ? ? ? ? 488 ARG A CZ 1 +ATOM 3750 N NH1 . ARG A 1 488 ? 93.646 14.747 2.591 1.00 9.83 ? ? ? ? ? ? 488 ARG A NH1 1 +ATOM 3751 N NH2 . ARG A 1 488 ? 92.679 13.240 4.016 1.00 13.82 ? ? ? ? ? ? 488 ARG A NH2 1 +ATOM 3752 N N . MET A 1 489 ? 99.786 18.706 6.322 1.00 14.64 ? ? ? ? ? ? 489 MET A N 1 +ATOM 3753 C CA . MET A 1 489 ? 100.716 19.783 6.121 1.00 13.02 ? ? ? ? ? ? 489 MET A CA 1 +ATOM 3754 C C . MET A 1 489 ? 102.121 19.333 6.472 1.00 12.30 ? ? ? ? ? ? 489 MET A C 1 +ATOM 3755 O O . MET A 1 489 ? 103.004 20.153 6.626 1.00 13.73 ? ? ? ? ? ? 489 MET A O 1 +ATOM 3756 C CB . MET A 1 489 ? 100.301 20.968 6.968 1.00 15.69 ? ? ? ? ? ? 489 MET A CB 1 +ATOM 3757 C CG . MET A 1 489 ? 98.977 21.612 6.523 1.00 17.43 ? ? ? ? ? ? 489 MET A CG 1 +ATOM 3758 S SD . MET A 1 489 ? 98.891 23.314 7.088 1.00 18.39 ? ? ? ? ? ? 489 MET A SD 1 +ATOM 3759 C CE . MET A 1 489 ? 97.442 23.260 8.017 1.00 17.31 ? ? ? ? ? ? 489 MET A CE 1 +ATOM 3760 N N . GLY A 1 490 ? 102.320 18.032 6.642 1.00 11.30 ? ? ? ? ? ? 490 GLY A N 1 +ATOM 3761 C CA . GLY A 1 490 ? 103.635 17.524 6.940 1.00 10.34 ? ? ? ? ? ? 490 GLY A CA 1 +ATOM 3762 C C . GLY A 1 490 ? 104.008 17.303 8.384 1.00 12.57 ? ? ? ? ? ? 490 GLY A C 1 +ATOM 3763 O O . GLY A 1 490 ? 105.006 16.625 8.653 1.00 13.92 ? ? ? ? ? ? 490 GLY A O 1 +ATOM 3764 N N . TYR A 1 491 ? 103.265 17.873 9.329 1.00 13.66 ? ? ? ? ? ? 491 TYR A N 1 +ATOM 3765 C CA . TYR A 1 491 ? 103.597 17.681 10.750 1.00 13.53 ? ? ? ? ? ? 491 TYR A CA 1 +ATOM 3766 C C . TYR A 1 491 ? 102.717 16.547 11.279 1.00 15.18 ? ? ? ? ? ? 491 TYR A C 1 +ATOM 3767 O O . TYR A 1 491 ? 101.498 16.678 11.370 1.00 16.62 ? ? ? ? ? ? 491 TYR A O 1 +ATOM 3768 C CB . TYR A 1 491 ? 103.365 18.974 11.528 1.00 10.60 ? ? ? ? ? ? 491 TYR A CB 1 +ATOM 3769 C CG . TYR A 1 491 ? 103.695 18.865 13.000 1.00 10.96 ? ? ? ? ? ? 491 TYR A CG 1 +ATOM 3770 C CD1 . TYR A 1 491 ? 102.777 18.327 13.907 1.00 10.43 ? ? ? ? ? ? 491 TYR A CD1 1 +ATOM 3771 C CD2 . TYR A 1 491 ? 104.926 19.283 13.491 1.00 10.76 ? ? ? ? ? ? 491 TYR A CD2 1 +ATOM 3772 C CE1 . TYR A 1 491 ? 103.073 18.204 15.232 1.00 8.66 ? ? ? ? ? ? 491 TYR A CE1 1 +ATOM 3773 C CE2 . TYR A 1 491 ? 105.234 19.160 14.839 1.00 10.10 ? ? ? ? ? ? 491 TYR A CE2 1 +ATOM 3774 C CZ . TYR A 1 491 ? 104.301 18.614 15.694 1.00 9.22 ? ? ? ? ? ? 491 TYR A CZ 1 +ATOM 3775 O OH . TYR A 1 491 ? 104.618 18.427 17.009 1.00 11.64 ? ? ? ? ? ? 491 TYR A OH 1 +ATOM 3776 N N . PRO A 1 492 ? 103.318 15.414 11.634 1.00 16.32 ? ? ? ? ? ? 492 PRO A N 1 +ATOM 3777 C CA . PRO A 1 492 ? 102.524 14.281 12.137 1.00 17.12 ? ? ? ? ? ? 492 PRO A CA 1 +ATOM 3778 C C . PRO A 1 492 ? 101.766 14.520 13.433 1.00 16.71 ? ? ? ? ? ? 492 PRO A C 1 +ATOM 3779 O O . PRO A 1 492 ? 102.366 14.910 14.421 1.00 18.58 ? ? ? ? ? ? 492 PRO A O 1 +ATOM 3780 C CB . PRO A 1 492 ? 103.573 13.185 12.308 1.00 17.33 ? ? ? ? ? ? 492 PRO A CB 1 +ATOM 3781 C CG . PRO A 1 492 ? 104.815 13.971 12.644 1.00 16.42 ? ? ? ? ? ? 492 PRO A CG 1 +ATOM 3782 C CD . PRO A 1 492 ? 104.758 15.108 11.652 1.00 16.16 ? ? ? ? ? ? 492 PRO A CD 1 +ATOM 3783 N N . MET A 1 493 ? 100.462 14.252 13.440 1.00 16.29 ? ? ? ? ? ? 493 MET A N 1 +ATOM 3784 C CA . MET A 1 493 ? 99.657 14.419 14.648 1.00 16.68 ? ? ? ? ? ? 493 MET A CA 1 +ATOM 3785 C C . MET A 1 493 ? 98.380 13.587 14.618 1.00 15.84 ? ? ? ? ? ? 493 MET A C 1 +ATOM 3786 O O . MET A 1 493 ? 97.627 13.617 13.652 1.00 16.58 ? ? ? ? ? ? 493 MET A O 1 +ATOM 3787 C CB . MET A 1 493 ? 99.309 15.900 14.864 1.00 19.74 ? ? ? ? ? ? 493 MET A CB 1 +ATOM 3788 C CG . MET A 1 493 ? 98.619 16.270 16.202 1.00 20.98 ? ? ? ? ? ? 493 MET A CG 1 +ATOM 3789 S SD . MET A 1 493 ? 98.754 18.105 16.584 1.00 24.84 ? ? ? ? ? ? 493 MET A SD 1 +ATOM 3790 C CE . MET A 1 493 ? 97.544 18.811 15.493 1.00 21.96 ? ? ? ? ? ? 493 MET A CE 1 +ATOM 3791 N N . HIS A 1 494 ? 98.182 12.788 15.655 1.00 13.73 ? ? ? ? ? ? 494 HIS A N 1 +ATOM 3792 C CA . HIS A 1 494 ? 96.982 11.983 15.787 1.00 13.47 ? ? ? ? ? ? 494 HIS A CA 1 +ATOM 3793 C C . HIS A 1 494 ? 96.855 11.556 17.260 1.00 12.83 ? ? ? ? ? ? 494 HIS A C 1 +ATOM 3794 O O . HIS A 1 494 ? 97.821 11.130 17.877 1.00 14.57 ? ? ? ? ? ? 494 HIS A O 1 +ATOM 3795 C CB . HIS A 1 494 ? 97.006 10.779 14.849 1.00 14.26 ? ? ? ? ? ? 494 HIS A CB 1 +ATOM 3796 C CG . HIS A 1 494 ? 97.211 9.472 15.548 1.00 17.29 ? ? ? ? ? ? 494 HIS A CG 1 +ATOM 3797 N ND1 . HIS A 1 494 ? 98.463 8.978 15.855 1.00 16.01 ? ? ? ? ? ? 494 HIS A ND1 1 +ATOM 3798 C CD2 . HIS A 1 494 ? 96.319 8.571 16.025 1.00 17.43 ? ? ? ? ? ? 494 HIS A CD2 1 +ATOM 3799 C CE1 . HIS A 1 494 ? 98.331 7.827 16.491 1.00 18.51 ? ? ? ? ? ? 494 HIS A CE1 1 +ATOM 3800 N NE2 . HIS A 1 494 ? 97.040 7.558 16.608 1.00 19.52 ? ? ? ? ? ? 494 HIS A NE2 1 +ATOM 3801 N N . TYR A 1 495 ? 95.676 11.728 17.834 1.00 11.62 ? ? ? ? ? ? 495 TYR A N 1 +ATOM 3802 C CA . TYR A 1 495 ? 95.432 11.378 19.215 1.00 9.77 ? ? ? ? ? ? 495 TYR A CA 1 +ATOM 3803 C C . TYR A 1 495 ? 94.314 10.355 19.268 1.00 10.36 ? ? ? ? ? ? 495 TYR A C 1 +ATOM 3804 O O . TYR A 1 495 ? 93.265 10.476 18.612 1.00 10.33 ? ? ? ? ? ? 495 TYR A O 1 +ATOM 3805 C CB . TYR A 1 495 ? 95.050 12.623 20.003 1.00 10.09 ? ? ? ? ? ? 495 TYR A CB 1 +ATOM 3806 C CG . TYR A 1 495 ? 96.161 13.655 20.116 1.00 9.80 ? ? ? ? ? ? 495 TYR A CG 1 +ATOM 3807 C CD1 . TYR A 1 495 ? 97.158 13.504 21.077 1.00 10.75 ? ? ? ? ? ? 495 TYR A CD1 1 +ATOM 3808 C CD2 . TYR A 1 495 ? 96.225 14.769 19.270 1.00 6.22 ? ? ? ? ? ? 495 TYR A CD2 1 +ATOM 3809 C CE1 . TYR A 1 495 ? 98.188 14.422 21.198 1.00 9.25 ? ? ? ? ? ? 495 TYR A CE1 1 +ATOM 3810 C CE2 . TYR A 1 495 ? 97.268 15.689 19.385 1.00 6.39 ? ? ? ? ? ? 495 TYR A CE2 1 +ATOM 3811 C CZ . TYR A 1 495 ? 98.247 15.499 20.355 1.00 6.91 ? ? ? ? ? ? 495 TYR A CZ 1 +ATOM 3812 O OH . TYR A 1 495 ? 99.344 16.314 20.495 1.00 7.37 ? ? ? ? ? ? 495 TYR A OH 1 +ATOM 3813 N N . ASN A 1 496 ? 94.602 9.279 19.967 1.00 9.54 ? ? ? ? ? ? 496 ASN A N 1 +ATOM 3814 C CA . ASN A 1 496 ? 93.653 8.204 20.118 1.00 9.63 ? ? ? ? ? ? 496 ASN A CA 1 +ATOM 3815 C C . ASN A 1 496 ? 92.464 8.649 20.950 1.00 10.59 ? ? ? ? ? ? 496 ASN A C 1 +ATOM 3816 O O . ASN A 1 496 ? 91.365 8.129 20.798 1.00 11.68 ? ? ? ? ? ? 496 ASN A O 1 +ATOM 3817 C CB . ASN A 1 496 ? 94.355 6.977 20.702 1.00 7.09 ? ? ? ? ? ? 496 ASN A CB 1 +ATOM 3818 C CG . ASN A 1 496 ? 95.526 6.532 19.838 1.00 7.45 ? ? ? ? ? ? 496 ASN A CG 1 +ATOM 3819 O OD1 . ASN A 1 496 ? 95.427 6.450 18.599 1.00 7.19 ? ? ? ? ? ? 496 ASN A OD1 1 +ATOM 3820 N ND2 . ASN A 1 496 ? 96.663 6.334 20.466 1.00 5.59 ? ? ? ? ? ? 496 ASN A ND2 1 +ATOM 3821 N N . ASN A 1 497 ? 92.666 9.651 21.793 1.00 12.00 ? ? ? ? ? ? 497 ASN A N 1 +ATOM 3822 C CA . ASN A 1 497 ? 91.593 10.162 22.626 1.00 12.87 ? ? ? ? ? ? 497 ASN A CA 1 +ATOM 3823 C C . ASN A 1 497 ? 92.012 11.424 23.357 1.00 13.97 ? ? ? ? ? ? 497 ASN A C 1 +ATOM 3824 O O . ASN A 1 497 ? 93.172 11.840 23.275 1.00 16.18 ? ? ? ? ? ? 497 ASN A O 1 +ATOM 3825 C CB . ASN A 1 497 ? 91.085 9.079 23.567 1.00 13.04 ? ? ? ? ? ? 497 ASN A CB 1 +ATOM 3826 C CG . ASN A 1 497 ? 92.191 8.281 24.192 1.00 15.88 ? ? ? ? ? ? 497 ASN A CG 1 +ATOM 3827 O OD1 . ASN A 1 497 ? 93.039 7.697 23.511 1.00 18.21 ? ? ? ? ? ? 497 ASN A OD1 1 +ATOM 3828 N ND2 . ASN A 1 497 ? 92.191 8.237 25.504 1.00 19.97 ? ? ? ? ? ? 497 ASN A ND2 1 +ATOM 3829 N N . THR A 1 498 ? 91.086 12.049 24.068 1.00 14.48 ? ? ? ? ? ? 498 THR A N 1 +ATOM 3830 C CA . THR A 1 498 ? 91.407 13.295 24.750 1.00 15.27 ? ? ? ? ? ? 498 THR A CA 1 +ATOM 3831 C C . THR A 1 498 ? 92.410 13.240 25.904 1.00 16.33 ? ? ? ? ? ? 498 THR A C 1 +ATOM 3832 O O . THR A 1 498 ? 93.225 14.154 26.050 1.00 18.47 ? ? ? ? ? ? 498 THR A O 1 +ATOM 3833 C CB . THR A 1 498 ? 90.142 14.061 25.176 1.00 14.96 ? ? ? ? ? ? 498 THR A CB 1 +ATOM 3834 O OG1 . THR A 1 498 ? 89.467 13.353 26.216 1.00 13.98 ? ? ? ? ? ? 498 THR A OG1 1 +ATOM 3835 C CG2 . THR A 1 498 ? 89.209 14.248 23.977 1.00 14.08 ? ? ? ? ? ? 498 THR A CG2 1 +ATOM 3836 N N . GLN A 1 499 ? 92.384 12.182 26.716 1.00 15.96 ? ? ? ? ? ? 499 GLN A N 1 +ATOM 3837 C CA . GLN A 1 499 ? 93.333 12.088 27.832 1.00 12.63 ? ? ? ? ? ? 499 GLN A CA 1 +ATOM 3838 C C . GLN A 1 499 ? 94.790 12.093 27.363 1.00 11.32 ? ? ? ? ? ? 499 GLN A C 1 +ATOM 3839 O O . GLN A 1 499 ? 95.694 12.523 28.086 1.00 11.53 ? ? ? ? ? ? 499 GLN A O 1 +ATOM 3840 C CB . GLN A 1 499 ? 93.076 10.841 28.662 1.00 11.62 ? ? ? ? ? ? 499 GLN A CB 1 +ATOM 3841 C CG . GLN A 1 499 ? 93.899 10.869 29.906 1.00 12.53 ? ? ? ? ? ? 499 GLN A CG 1 +ATOM 3842 C CD . GLN A 1 499 ? 93.882 9.587 30.688 1.00 13.06 ? ? ? ? ? ? 499 GLN A CD 1 +ATOM 3843 O OE1 . GLN A 1 499 ? 92.968 8.772 30.573 1.00 12.75 ? ? ? ? ? ? 499 GLN A OE1 1 +ATOM 3844 N NE2 . GLN A 1 499 ? 94.892 9.414 31.522 1.00 11.99 ? ? ? ? ? ? 499 GLN A NE2 1 +ATOM 3845 N N . GLU A 1 500 ? 95.010 11.575 26.163 1.00 9.88 ? ? ? ? ? ? 500 GLU A N 1 +ATOM 3846 C CA . GLU A 1 500 ? 96.329 11.525 25.578 1.00 9.61 ? ? ? ? ? ? 500 GLU A CA 1 +ATOM 3847 C C . GLU A 1 500 ? 96.812 12.954 25.454 1.00 10.62 ? ? ? ? ? ? 500 GLU A C 1 +ATOM 3848 O O . GLU A 1 500 ? 97.972 13.261 25.723 1.00 11.81 ? ? ? ? ? ? 500 GLU A O 1 +ATOM 3849 C CB . GLU A 1 500 ? 96.260 10.866 24.206 1.00 9.14 ? ? ? ? ? ? 500 GLU A CB 1 +ATOM 3850 C CG . GLU A 1 500 ? 96.962 9.529 24.173 1.00 11.97 ? ? ? ? ? ? 500 GLU A CG 1 +ATOM 3851 C CD . GLU A 1 500 ? 96.499 8.613 23.044 1.00 14.21 ? ? ? ? ? ? 500 GLU A CD 1 +ATOM 3852 O OE1 . GLU A 1 500 ? 96.144 9.137 21.980 1.00 13.34 ? ? ? ? ? ? 500 GLU A OE1 1 +ATOM 3853 O OE2 . GLU A 1 500 ? 96.484 7.365 23.233 1.00 17.53 ? ? ? ? ? ? 500 GLU A OE2 1 +ATOM 3854 N N . ILE A 1 501 ? 95.895 13.842 25.080 1.00 11.32 ? ? ? ? ? ? 501 ILE A N 1 +ATOM 3855 C CA . ILE A 1 501 ? 96.216 15.254 24.935 1.00 7.76 ? ? ? ? ? ? 501 ILE A CA 1 +ATOM 3856 C C . ILE A 1 501 ? 96.388 15.808 26.319 1.00 5.78 ? ? ? ? ? ? 501 ILE A C 1 +ATOM 3857 O O . ILE A 1 501 ? 97.363 16.466 26.599 1.00 5.60 ? ? ? ? ? ? 501 ILE A O 1 +ATOM 3858 C CB . ILE A 1 501 ? 95.099 16.016 24.259 1.00 8.09 ? ? ? ? ? ? 501 ILE A CB 1 +ATOM 3859 C CG1 . ILE A 1 501 ? 94.745 15.368 22.915 1.00 7.98 ? ? ? ? ? ? 501 ILE A CG1 1 +ATOM 3860 C CG2 . ILE A 1 501 ? 95.534 17.451 24.035 1.00 11.03 ? ? ? ? ? ? 501 ILE A CG2 1 +ATOM 3861 C CD1 . ILE A 1 501 ? 93.554 15.996 22.232 1.00 6.74 ? ? ? ? ? ? 501 ILE A CD1 1 +ATOM 3862 N N . TRP A 1 502 ? 95.492 15.458 27.222 1.00 5.54 ? ? ? ? ? ? 502 TRP A N 1 +ATOM 3863 C CA . TRP A 1 502 ? 95.605 15.965 28.577 1.00 8.20 ? ? ? ? ? ? 502 TRP A CA 1 +ATOM 3864 C C . TRP A 1 502 ? 96.911 15.599 29.289 1.00 11.12 ? ? ? ? ? ? 502 TRP A C 1 +ATOM 3865 O O . TRP A 1 502 ? 97.395 16.368 30.120 1.00 12.86 ? ? ? ? ? ? 502 TRP A O 1 +ATOM 3866 C CB . TRP A 1 502 ? 94.397 15.564 29.415 1.00 6.03 ? ? ? ? ? ? 502 TRP A CB 1 +ATOM 3867 C CG . TRP A 1 502 ? 94.328 16.269 30.748 1.00 3.75 ? ? ? ? ? ? 502 TRP A CG 1 +ATOM 3868 C CD1 . TRP A 1 502 ? 94.624 15.739 31.970 1.00 3.09 ? ? ? ? ? ? 502 TRP A CD1 1 +ATOM 3869 C CD2 . TRP A 1 502 ? 93.931 17.623 30.984 1.00 2.00 ? ? ? ? ? ? 502 TRP A CD2 1 +ATOM 3870 N NE1 . TRP A 1 502 ? 94.432 16.676 32.946 1.00 2.41 ? ? ? ? ? ? 502 TRP A NE1 1 +ATOM 3871 C CE2 . TRP A 1 502 ? 94.012 17.842 32.370 1.00 2.00 ? ? ? ? ? ? 502 TRP A CE2 1 +ATOM 3872 C CE3 . TRP A 1 502 ? 93.525 18.670 30.155 1.00 2.00 ? ? ? ? ? ? 502 TRP A CE3 1 +ATOM 3873 C CZ2 . TRP A 1 502 ? 93.710 19.074 32.952 1.00 2.00 ? ? ? ? ? ? 502 TRP A CZ2 1 +ATOM 3874 C CZ3 . TRP A 1 502 ? 93.222 19.898 30.728 1.00 2.96 ? ? ? ? ? ? 502 TRP A CZ3 1 +ATOM 3875 C CH2 . TRP A 1 502 ? 93.318 20.087 32.120 1.00 4.03 ? ? ? ? ? ? 502 TRP A CH2 1 +ATOM 3876 N N . ASP A 1 503 ? 97.525 14.476 28.934 1.00 14.06 ? ? ? ? ? ? 503 ASP A N 1 +ATOM 3877 C CA . ASP A 1 503 ? 98.775 14.083 29.590 1.00 16.16 ? ? ? ? ? ? 503 ASP A CA 1 +ATOM 3878 C C . ASP A 1 503 ? 100.015 14.777 29.028 1.00 15.78 ? ? ? ? ? ? 503 ASP A C 1 +ATOM 3879 O O . ASP A 1 503 ? 100.968 15.070 29.756 1.00 14.98 ? ? ? ? ? ? 503 ASP A O 1 +ATOM 3880 C CB . ASP A 1 503 ? 98.936 12.560 29.574 1.00 18.51 ? ? ? ? ? ? 503 ASP A CB 1 +ATOM 3881 C CG . ASP A 1 503 ? 97.821 11.848 30.337 1.00 19.74 ? ? ? ? ? ? 503 ASP A CG 1 +ATOM 3882 O OD1 . ASP A 1 503 ? 97.354 12.396 31.353 1.00 19.72 ? ? ? ? ? ? 503 ASP A OD1 1 +ATOM 3883 O OD2 . ASP A 1 503 ? 97.423 10.734 29.927 1.00 22.34 ? ? ? ? ? ? 503 ASP A OD2 1 +ATOM 3884 N N . GLU A 1 504 ? 100.002 15.028 27.729 1.00 15.86 ? ? ? ? ? ? 504 GLU A N 1 +ATOM 3885 C CA . GLU A 1 504 ? 101.106 15.709 27.047 1.00 16.34 ? ? ? ? ? ? 504 GLU A CA 1 +ATOM 3886 C C . GLU A 1 504 ? 101.133 17.086 27.685 1.00 17.94 ? ? ? ? ? ? 504 GLU A C 1 +ATOM 3887 O O . GLU A 1 504 ? 102.160 17.577 28.148 1.00 20.81 ? ? ? ? ? ? 504 GLU A O 1 +ATOM 3888 C CB . GLU A 1 504 ? 100.735 15.838 25.577 1.00 13.34 ? ? ? ? ? ? 504 GLU A CB 1 +ATOM 3889 C CG . GLU A 1 504 ? 101.800 16.277 24.657 1.00 12.15 ? ? ? ? ? ? 504 GLU A CG 1 +ATOM 3890 C CD . GLU A 1 504 ? 101.292 16.235 23.228 1.00 13.49 ? ? ? ? ? ? 504 GLU A CD 1 +ATOM 3891 O OE1 . GLU A 1 504 ? 100.769 15.166 22.842 1.00 15.76 ? ? ? ? ? ? 504 GLU A OE1 1 +ATOM 3892 O OE2 . GLU A 1 504 ? 101.375 17.252 22.503 1.00 10.76 ? ? ? ? ? ? 504 GLU A OE2 1 +ATOM 3893 N N . LEU A 1 505 ? 99.934 17.642 27.744 1.00 17.86 ? ? ? ? ? ? 505 LEU A N 1 +ATOM 3894 C CA . LEU A 1 505 ? 99.597 18.926 28.304 1.00 16.33 ? ? ? ? ? ? 505 LEU A CA 1 +ATOM 3895 C C . LEU A 1 505 ? 100.125 18.933 29.733 1.00 16.79 ? ? ? ? ? ? 505 LEU A C 1 +ATOM 3896 O O . LEU A 1 505 ? 100.996 19.731 30.082 1.00 17.92 ? ? ? ? ? ? 505 LEU A O 1 +ATOM 3897 C CB . LEU A 1 505 ? 98.059 18.989 28.280 1.00 16.76 ? ? ? ? ? ? 505 LEU A CB 1 +ATOM 3898 C CG . LEU A 1 505 ? 97.084 20.052 28.759 1.00 15.56 ? ? ? ? ? ? 505 LEU A CG 1 +ATOM 3899 C CD1 . LEU A 1 505 ? 97.238 20.308 30.266 1.00 15.78 ? ? ? ? ? ? 505 LEU A CD1 1 +ATOM 3900 C CD2 . LEU A 1 505 ? 97.278 21.290 27.939 1.00 16.34 ? ? ? ? ? ? 505 LEU A CD2 1 +ATOM 3901 N N . ARG A 1 506 ? 99.646 18.002 30.551 1.00 15.52 ? ? ? ? ? ? 506 ARG A N 1 +ATOM 3902 C CA . ARG A 1 506 ? 100.071 17.950 31.949 1.00 14.21 ? ? ? ? ? ? 506 ARG A CA 1 +ATOM 3903 C C . ARG A 1 506 ? 101.580 17.944 32.138 1.00 13.79 ? ? ? ? ? ? 506 ARG A C 1 +ATOM 3904 O O . ARG A 1 506 ? 102.071 18.423 33.158 1.00 14.73 ? ? ? ? ? ? 506 ARG A O 1 +ATOM 3905 C CB . ARG A 1 506 ? 99.477 16.735 32.665 1.00 12.84 ? ? ? ? ? ? 506 ARG A CB 1 +ATOM 3906 C CG . ARG A 1 506 ? 98.069 16.944 33.185 1.00 12.39 ? ? ? ? ? ? 506 ARG A CG 1 +ATOM 3907 C CD . ARG A 1 506 ? 97.735 15.899 34.232 1.00 11.29 ? ? ? ? ? ? 506 ARG A CD 1 +ATOM 3908 N NE . ARG A 1 506 ? 98.015 14.577 33.708 1.00 10.58 ? ? ? ? ? ? 506 ARG A NE 1 +ATOM 3909 C CZ . ARG A 1 506 ? 98.974 13.766 34.137 1.00 9.18 ? ? ? ? ? ? 506 ARG A CZ 1 +ATOM 3910 N NH1 . ARG A 1 506 ? 99.770 14.101 35.149 1.00 7.07 ? ? ? ? ? ? 506 ARG A NH1 1 +ATOM 3911 N NH2 . ARG A 1 506 ? 99.242 12.684 33.419 1.00 8.12 ? ? ? ? ? ? 506 ARG A NH2 1 +ATOM 3912 N N . HIS A 1 507 ? 102.301 17.370 31.169 1.00 12.49 ? ? ? ? ? ? 507 HIS A N 1 +ATOM 3913 C CA . HIS A 1 507 ? 103.756 17.264 31.211 1.00 9.71 ? ? ? ? ? ? 507 HIS A CA 1 +ATOM 3914 C C . HIS A 1 507 ? 104.500 18.531 30.749 1.00 10.82 ? ? ? ? ? ? 507 HIS A C 1 +ATOM 3915 O O . HIS A 1 507 ? 105.725 18.630 30.905 1.00 10.12 ? ? ? ? ? ? 507 HIS A O 1 +ATOM 3916 C CB . HIS A 1 507 ? 104.207 16.037 30.414 1.00 8.51 ? ? ? ? ? ? 507 HIS A CB 1 +ATOM 3917 C CG . HIS A 1 507 ? 104.069 14.758 31.170 1.00 8.40 ? ? ? ? ? ? 507 HIS A CG 1 +ATOM 3918 N ND1 . HIS A 1 507 ? 103.001 13.903 31.000 1.00 10.07 ? ? ? ? ? ? 507 HIS A ND1 1 +ATOM 3919 C CD2 . HIS A 1 507 ? 104.803 14.231 32.178 1.00 8.56 ? ? ? ? ? ? 507 HIS A CD2 1 +ATOM 3920 C CE1 . HIS A 1 507 ? 103.077 12.919 31.872 1.00 7.18 ? ? ? ? ? ? 507 HIS A CE1 1 +ATOM 3921 N NE2 . HIS A 1 507 ? 104.163 13.094 32.602 1.00 5.67 ? ? ? ? ? ? 507 HIS A NE2 1 +ATOM 3922 N N . LEU A 1 508 ? 103.748 19.494 30.212 1.00 10.60 ? ? ? ? ? ? 508 LEU A N 1 +ATOM 3923 C CA . LEU A 1 508 ? 104.273 20.775 29.744 1.00 10.47 ? ? ? ? ? ? 508 LEU A CA 1 +ATOM 3924 C C . LEU A 1 508 ? 103.796 21.907 30.653 1.00 11.43 ? ? ? ? ? ? 508 LEU A C 1 +ATOM 3925 O O . LEU A 1 508 ? 104.373 22.984 30.664 1.00 13.67 ? ? ? ? ? ? 508 LEU A O 1 +ATOM 3926 C CB . LEU A 1 508 ? 103.804 21.054 28.315 1.00 11.24 ? ? ? ? ? ? 508 LEU A CB 1 +ATOM 3927 C CG . LEU A 1 508 ? 104.216 19.998 27.293 1.00 12.46 ? ? ? ? ? ? 508 LEU A CG 1 +ATOM 3928 C CD1 . LEU A 1 508 ? 103.616 20.305 25.944 1.00 11.76 ? ? ? ? ? ? 508 LEU A CD1 1 +ATOM 3929 C CD2 . LEU A 1 508 ? 105.736 19.971 27.215 1.00 15.36 ? ? ? ? ? ? 508 LEU A CD2 1 +ATOM 3930 N N . CYS A 1 509 ? 102.740 21.678 31.418 1.00 10.84 ? ? ? ? ? ? 509 CYS A N 1 +ATOM 3931 C CA . CYS A 1 509 ? 102.239 22.706 32.314 1.00 10.58 ? ? ? ? ? ? 509 CYS A CA 1 +ATOM 3932 C C . CYS A 1 509 ? 102.374 22.293 33.776 1.00 12.31 ? ? ? ? ? ? 509 CYS A C 1 +ATOM 3933 O O . CYS A 1 509 ? 101.485 21.650 34.344 1.00 13.99 ? ? ? ? ? ? 509 CYS A O 1 +ATOM 3934 C CB . CYS A 1 509 ? 100.807 22.954 31.955 1.00 9.34 ? ? ? ? ? ? 509 CYS A CB 1 +ATOM 3935 S SG . CYS A 1 509 ? 100.712 23.188 30.203 1.00 13.53 ? ? ? ? ? ? 509 CYS A SG 1 +ATOM 3936 N N . PRO A 1 510 ? 103.504 22.631 34.415 1.00 13.57 ? ? ? ? ? ? 510 PRO A N 1 +ATOM 3937 C CA . PRO A 1 510 ? 103.748 22.277 35.824 1.00 14.65 ? ? ? ? ? ? 510 PRO A CA 1 +ATOM 3938 C C . PRO A 1 510 ? 102.662 22.571 36.849 1.00 15.00 ? ? ? ? ? ? 510 PRO A C 1 +ATOM 3939 O O . PRO A 1 510 ? 102.731 22.069 37.956 1.00 16.31 ? ? ? ? ? ? 510 PRO A O 1 +ATOM 3940 C CB . PRO A 1 510 ? 105.055 22.999 36.136 1.00 12.06 ? ? ? ? ? ? 510 PRO A CB 1 +ATOM 3941 C CG . PRO A 1 510 ? 105.792 22.802 34.881 1.00 13.64 ? ? ? ? ? ? 510 PRO A CG 1 +ATOM 3942 C CD . PRO A 1 510 ? 104.744 23.134 33.800 1.00 13.42 ? ? ? ? ? ? 510 PRO A CD 1 +ATOM 3943 N N . ASP A 1 511 ? 101.676 23.377 36.477 1.00 16.25 ? ? ? ? ? ? 511 ASP A N 1 +ATOM 3944 C CA . ASP A 1 511 ? 100.565 23.737 37.358 1.00 17.76 ? ? ? ? ? ? 511 ASP A CA 1 +ATOM 3945 C C . ASP A 1 511 ? 99.303 22.909 37.135 1.00 17.10 ? ? ? ? ? ? 511 ASP A C 1 +ATOM 3946 O O . ASP A 1 511 ? 98.314 23.096 37.845 1.00 17.17 ? ? ? ? ? ? 511 ASP A O 1 +ATOM 3947 C CB . ASP A 1 511 ? 100.183 25.198 37.128 1.00 20.79 ? ? ? ? ? ? 511 ASP A CB 1 +ATOM 3948 C CG . ASP A 1 511 ? 100.773 26.150 38.153 1.00 24.22 ? ? ? ? ? ? 511 ASP A CG 1 +ATOM 3949 O OD1 . ASP A 1 511 ? 101.527 25.744 39.080 1.00 25.84 ? ? ? ? ? ? 511 ASP A OD1 1 +ATOM 3950 O OD2 . ASP A 1 511 ? 100.445 27.345 38.017 1.00 27.38 ? ? ? ? ? ? 511 ASP A OD2 1 +ATOM 3951 N N . PHE A 1 512 ? 99.301 22.092 36.086 1.00 15.81 ? ? ? ? ? ? 512 PHE A N 1 +ATOM 3952 C CA . PHE A 1 512 ? 98.158 21.259 35.736 1.00 14.24 ? ? ? ? ? ? 512 PHE A CA 1 +ATOM 3953 C C . PHE A 1 512 ? 98.527 19.801 35.880 1.00 15.32 ? ? ? ? ? ? 512 PHE A C 1 +ATOM 3954 O O . PHE A 1 512 ? 97.669 18.922 35.777 1.00 15.35 ? ? ? ? ? ? 512 PHE A O 1 +ATOM 3955 C CB . PHE A 1 512 ? 97.747 21.484 34.286 1.00 11.35 ? ? ? ? ? ? 512 PHE A CB 1 +ATOM 3956 C CG . PHE A 1 512 ? 97.399 22.910 33.956 1.00 11.81 ? ? ? ? ? ? 512 PHE A CG 1 +ATOM 3957 C CD1 . PHE A 1 512 ? 97.228 23.864 34.955 1.00 8.77 ? ? ? ? ? ? 512 PHE A CD1 1 +ATOM 3958 C CD2 . PHE A 1 512 ? 97.264 23.306 32.624 1.00 10.94 ? ? ? ? ? ? 512 PHE A CD2 1 +ATOM 3959 C CE1 . PHE A 1 512 ? 96.930 25.177 34.630 1.00 8.38 ? ? ? ? ? ? 512 PHE A CE1 1 +ATOM 3960 C CE2 . PHE A 1 512 ? 96.968 24.615 32.304 1.00 9.89 ? ? ? ? ? ? 512 PHE A CE2 1 +ATOM 3961 C CZ . PHE A 1 512 ? 96.805 25.554 33.312 1.00 8.82 ? ? ? ? ? ? 512 PHE A CZ 1 +ATOM 3962 N N . TYR A 1 513 ? 99.811 19.546 36.119 1.00 15.99 ? ? ? ? ? ? 513 TYR A N 1 +ATOM 3963 C CA . TYR A 1 513 ? 100.321 18.183 36.255 1.00 14.66 ? ? ? ? ? ? 513 TYR A CA 1 +ATOM 3964 C C . TYR A 1 513 ? 99.544 17.288 37.214 1.00 15.18 ? ? ? ? ? ? 513 TYR A C 1 +ATOM 3965 O O . TYR A 1 513 ? 99.169 16.173 36.860 1.00 15.74 ? ? ? ? ? ? 513 TYR A O 1 +ATOM 3966 C CB . TYR A 1 513 ? 101.779 18.233 36.648 1.00 13.18 ? ? ? ? ? ? 513 TYR A CB 1 +ATOM 3967 C CG . TYR A 1 513 ? 102.434 16.894 36.695 1.00 12.10 ? ? ? ? ? ? 513 TYR A CG 1 +ATOM 3968 C CD1 . TYR A 1 513 ? 102.697 16.182 35.535 1.00 9.16 ? ? ? ? ? ? 513 TYR A CD1 1 +ATOM 3969 C CD2 . TYR A 1 513 ? 102.783 16.326 37.919 1.00 11.89 ? ? ? ? ? ? 513 TYR A CD2 1 +ATOM 3970 C CE1 . TYR A 1 513 ? 103.281 14.938 35.604 1.00 9.79 ? ? ? ? ? ? 513 TYR A CE1 1 +ATOM 3971 C CE2 . TYR A 1 513 ? 103.366 15.102 37.992 1.00 8.95 ? ? ? ? ? ? 513 TYR A CE2 1 +ATOM 3972 C CZ . TYR A 1 513 ? 103.612 14.403 36.846 1.00 9.18 ? ? ? ? ? ? 513 TYR A CZ 1 +ATOM 3973 O OH . TYR A 1 513 ? 104.170 13.147 36.968 1.00 10.57 ? ? ? ? ? ? 513 TYR A OH 1 +ATOM 3974 N N . GLY A 1 514 ? 99.262 17.786 38.411 1.00 15.88 ? ? ? ? ? ? 514 GLY A N 1 +ATOM 3975 C CA . GLY A 1 514 ? 98.527 16.987 39.375 1.00 16.02 ? ? ? ? ? ? 514 GLY A CA 1 +ATOM 3976 C C . GLY A 1 514 ? 97.046 16.810 39.094 1.00 16.54 ? ? ? ? ? ? 514 GLY A C 1 +ATOM 3977 O O . GLY A 1 514 ? 96.382 16.012 39.752 1.00 17.25 ? ? ? ? ? ? 514 GLY A O 1 +ATOM 3978 N N . ALA A 1 515 ? 96.505 17.554 38.137 1.00 16.56 ? ? ? ? ? ? 515 ALA A N 1 +ATOM 3979 C CA . ALA A 1 515 ? 95.090 17.423 37.826 1.00 15.26 ? ? ? ? ? ? 515 ALA A CA 1 +ATOM 3980 C C . ALA A 1 515 ? 94.917 16.273 36.869 1.00 16.07 ? ? ? ? ? ? 515 ALA A C 1 +ATOM 3981 O O . ALA A 1 515 ? 94.623 16.481 35.689 1.00 16.92 ? ? ? ? ? ? 515 ALA A O 1 +ATOM 3982 C CB . ALA A 1 515 ? 94.568 18.689 37.206 1.00 15.44 ? ? ? ? ? ? 515 ALA A CB 1 +ATOM 3983 N N . THR A 1 516 ? 95.144 15.057 37.346 1.00 15.48 ? ? ? ? ? ? 516 THR A N 1 +ATOM 3984 C CA . THR A 1 516 ? 94.985 13.906 36.471 1.00 16.44 ? ? ? ? ? ? 516 THR A CA 1 +ATOM 3985 C C . THR A 1 516 ? 93.504 13.605 36.219 1.00 17.24 ? ? ? ? ? ? 516 THR A C 1 +ATOM 3986 O O . THR A 1 516 ? 92.623 14.068 36.963 1.00 18.90 ? ? ? ? ? ? 516 THR A O 1 +ATOM 3987 C CB . THR A 1 516 ? 95.709 12.650 37.017 1.00 15.67 ? ? ? ? ? ? 516 THR A CB 1 +ATOM 3988 O OG1 . THR A 1 516 ? 95.297 12.382 38.362 1.00 16.43 ? ? ? ? ? ? 516 THR A OG1 1 +ATOM 3989 C CG2 . THR A 1 516 ? 97.201 12.849 36.982 1.00 15.57 ? ? ? ? ? ? 516 THR A CG2 1 +ATOM 3990 N N . TYR A 1 517 ? 93.236 12.890 35.126 1.00 17.02 ? ? ? ? ? ? 517 TYR A N 1 +ATOM 3991 C CA . TYR A 1 517 ? 91.882 12.495 34.748 1.00 16.34 ? ? ? ? ? ? 517 TYR A CA 1 +ATOM 3992 C C . TYR A 1 517 ? 91.282 11.708 35.923 1.00 18.59 ? ? ? ? ? ? 517 TYR A C 1 +ATOM 3993 O O . TYR A 1 517 ? 90.141 11.947 36.354 1.00 18.39 ? ? ? ? ? ? 517 TYR A O 1 +ATOM 3994 C CB . TYR A 1 517 ? 91.947 11.584 33.523 1.00 15.22 ? ? ? ? ? ? 517 TYR A CB 1 +ATOM 3995 C CG . TYR A 1 517 ? 91.558 12.232 32.231 1.00 13.63 ? ? ? ? ? ? 517 TYR A CG 1 +ATOM 3996 C CD1 . TYR A 1 517 ? 91.910 13.555 31.955 1.00 13.59 ? ? ? ? ? ? 517 TYR A CD1 1 +ATOM 3997 C CD2 . TYR A 1 517 ? 90.775 11.550 31.303 1.00 12.26 ? ? ? ? ? ? 517 TYR A CD2 1 +ATOM 3998 C CE1 . TYR A 1 517 ? 91.482 14.189 30.786 1.00 13.96 ? ? ? ? ? ? 517 TYR A CE1 1 +ATOM 3999 C CE2 . TYR A 1 517 ? 90.336 12.175 30.133 1.00 13.41 ? ? ? ? ? ? 517 TYR A CE2 1 +ATOM 4000 C CZ . TYR A 1 517 ? 90.695 13.498 29.883 1.00 13.90 ? ? ? ? ? ? 517 TYR A CZ 1 +ATOM 4001 O OH . TYR A 1 517 ? 90.272 14.116 28.731 1.00 14.01 ? ? ? ? ? ? 517 TYR A OH 1 +ATOM 4002 N N . GLU A 1 518 ? 92.087 10.798 36.467 1.00 18.96 ? ? ? ? ? ? 518 GLU A N 1 +ATOM 4003 C CA . GLU A 1 518 ? 91.657 9.975 37.578 1.00 19.55 ? ? ? ? ? ? 518 GLU A CA 1 +ATOM 4004 C C . GLU A 1 518 ? 91.217 10.858 38.720 1.00 17.55 ? ? ? ? ? ? 518 GLU A C 1 +ATOM 4005 O O . GLU A 1 518 ? 90.173 10.628 39.318 1.00 16.68 ? ? ? ? ? ? 518 GLU A O 1 +ATOM 4006 C CB . GLU A 1 518 ? 92.793 9.074 38.042 1.00 23.49 ? ? ? ? ? ? 518 GLU A CB 1 +ATOM 4007 C CG . GLU A 1 518 ? 92.360 8.031 39.071 1.00 31.08 ? ? ? ? ? ? 518 GLU A CG 1 +ATOM 4008 C CD . GLU A 1 518 ? 93.415 6.947 39.302 1.00 34.47 ? ? ? ? ? ? 518 GLU A CD 1 +ATOM 4009 O OE1 . GLU A 1 518 ? 93.857 6.322 38.303 1.00 35.85 ? ? ? ? ? ? 518 GLU A OE1 1 +ATOM 4010 O OE2 . GLU A 1 518 ? 93.801 6.731 40.482 1.00 36.66 ? ? ? ? ? ? 518 GLU A OE2 1 +ATOM 4011 N N . LYS A 1 519 ? 91.991 11.908 38.975 1.00 16.09 ? ? ? ? ? ? 519 LYS A N 1 +ATOM 4012 C CA . LYS A 1 519 ? 91.687 12.812 40.075 1.00 14.77 ? ? ? ? ? ? 519 LYS A CA 1 +ATOM 4013 C C . LYS A 1 519 ? 90.438 13.622 39.815 1.00 14.75 ? ? ? ? ? ? 519 LYS A C 1 +ATOM 4014 O O . LYS A 1 519 ? 89.543 13.665 40.658 1.00 15.59 ? ? ? ? ? ? 519 LYS A O 1 +ATOM 4015 C CB . LYS A 1 519 ? 92.883 13.724 40.405 1.00 13.08 ? ? ? ? ? ? 519 LYS A CB 1 +ATOM 4016 C CG . LYS A 1 519 ? 92.749 14.506 41.705 1.00 10.06 ? ? ? ? ? ? 519 LYS A CG 1 +ATOM 4017 C CD . LYS A 1 519 ? 93.924 15.444 41.922 1.00 10.62 ? ? ? ? ? ? 519 LYS A CD 1 +ATOM 4018 C CE . LYS A 1 519 ? 95.031 14.775 42.728 1.00 14.08 ? ? ? ? ? ? 519 LYS A CE 1 +ATOM 4019 N NZ . LYS A 1 519 ? 96.322 15.529 42.724 1.00 13.36 ? ? ? ? ? ? 519 LYS A NZ 1 +ATOM 4020 N N . MET A 1 520 ? 90.347 14.258 38.658 1.00 13.17 ? ? ? ? ? ? 520 MET A N 1 +ATOM 4021 C CA . MET A 1 520 ? 89.153 15.040 38.404 1.00 13.61 ? ? ? ? ? ? 520 MET A CA 1 +ATOM 4022 C C . MET A 1 520 ? 87.903 14.163 38.515 1.00 13.15 ? ? ? ? ? ? 520 MET A C 1 +ATOM 4023 O O . MET A 1 520 ? 86.856 14.634 38.932 1.00 13.56 ? ? ? ? ? ? 520 MET A O 1 +ATOM 4024 C CB . MET A 1 520 ? 89.224 15.718 37.039 1.00 13.91 ? ? ? ? ? ? 520 MET A CB 1 +ATOM 4025 C CG . MET A 1 520 ? 90.382 16.671 36.860 1.00 14.04 ? ? ? ? ? ? 520 MET A CG 1 +ATOM 4026 S SD . MET A 1 520 ? 90.390 17.358 35.192 1.00 16.26 ? ? ? ? ? ? 520 MET A SD 1 +ATOM 4027 C CE . MET A 1 520 ? 90.804 15.895 34.215 1.00 15.62 ? ? ? ? ? ? 520 MET A CE 1 +ATOM 4028 N N . GLY A 1 521 ? 88.037 12.890 38.149 1.00 13.79 ? ? ? ? ? ? 521 GLY A N 1 +ATOM 4029 C CA . GLY A 1 521 ? 86.941 11.938 38.201 1.00 13.70 ? ? ? ? ? ? 521 GLY A CA 1 +ATOM 4030 C C . GLY A 1 521 ? 85.612 12.369 37.603 1.00 14.25 ? ? ? ? ? ? 521 GLY A C 1 +ATOM 4031 O O . GLY A 1 521 ? 85.581 13.173 36.692 1.00 15.50 ? ? ? ? ? ? 521 GLY A O 1 +ATOM 4032 N N . GLU A 1 522 ? 84.514 11.819 38.117 1.00 15.48 ? ? ? ? ? ? 522 GLU A N 1 +ATOM 4033 C CA . GLU A 1 522 ? 83.181 12.155 37.643 1.00 16.68 ? ? ? ? ? ? 522 GLU A CA 1 +ATOM 4034 C C . GLU A 1 522 ? 82.629 13.385 38.340 1.00 17.00 ? ? ? ? ? ? 522 GLU A C 1 +ATOM 4035 O O . GLU A 1 522 ? 81.856 14.136 37.751 1.00 18.65 ? ? ? ? ? ? 522 GLU A O 1 +ATOM 4036 C CB . GLU A 1 522 ? 82.216 11.009 37.878 1.00 18.51 ? ? ? ? ? ? 522 GLU A CB 1 +ATOM 4037 C CG . GLU A 1 522 ? 82.659 9.678 37.294 1.00 23.33 ? ? ? ? ? ? 522 GLU A CG 1 +ATOM 4038 C CD . GLU A 1 522 ? 81.482 8.766 36.998 1.00 24.49 ? ? ? ? ? ? 522 GLU A CD 1 +ATOM 4039 O OE1 . GLU A 1 522 ? 80.489 8.802 37.762 1.00 26.47 ? ? ? ? ? ? 522 GLU A OE1 1 +ATOM 4040 O OE2 . GLU A 1 522 ? 81.538 8.045 35.986 1.00 25.78 ? ? ? ? ? ? 522 GLU A OE2 1 +ATOM 4041 N N . LEU A 1 523 ? 82.966 13.584 39.607 1.00 15.17 ? ? ? ? ? ? 523 LEU A N 1 +ATOM 4042 C CA . LEU A 1 523 ? 82.446 14.766 40.293 1.00 13.89 ? ? ? ? ? ? 523 LEU A CA 1 +ATOM 4043 C C . LEU A 1 523 ? 83.526 15.612 40.941 1.00 12.27 ? ? ? ? ? ? 523 LEU A C 1 +ATOM 4044 O O . LEU A 1 523 ? 83.234 16.427 41.811 1.00 11.80 ? ? ? ? ? ? 523 LEU A O 1 +ATOM 4045 C CB . LEU A 1 523 ? 81.429 14.363 41.345 1.00 13.55 ? ? ? ? ? ? 523 LEU A CB 1 +ATOM 4046 C CG . LEU A 1 523 ? 80.135 13.704 40.890 1.00 14.08 ? ? ? ? ? ? 523 LEU A CG 1 +ATOM 4047 C CD1 . LEU A 1 523 ? 79.465 13.123 42.127 1.00 14.84 ? ? ? ? ? ? 523 LEU A CD1 1 +ATOM 4048 C CD2 . LEU A 1 523 ? 79.231 14.709 40.183 1.00 13.16 ? ? ? ? ? ? 523 LEU A CD2 1 +ATOM 4049 N N . GLY A 1 524 ? 84.760 15.444 40.481 1.00 10.46 ? ? ? ? ? ? 524 GLY A N 1 +ATOM 4050 C CA . GLY A 1 524 ? 85.860 16.174 41.049 1.00 9.77 ? ? ? ? ? ? 524 GLY A CA 1 +ATOM 4051 C C . GLY A 1 524 ? 85.925 17.544 40.453 1.00 10.28 ? ? ? ? ? ? 524 GLY A C 1 +ATOM 4052 O O . GLY A 1 524 ? 85.581 17.702 39.299 1.00 9.83 ? ? ? ? ? ? 524 GLY A O 1 +ATOM 4053 N N . PHE A 1 525 ? 86.398 18.503 41.252 1.00 10.25 ? ? ? ? ? ? 525 PHE A N 1 +ATOM 4054 C CA . PHE A 1 525 ? 86.539 19.903 40.886 1.00 9.77 ? ? ? ? ? ? 525 PHE A CA 1 +ATOM 4055 C C . PHE A 1 525 ? 87.959 20.242 41.334 1.00 11.75 ? ? ? ? ? ? 525 PHE A C 1 +ATOM 4056 O O . PHE A 1 525 ? 88.195 20.505 42.520 1.00 13.73 ? ? ? ? ? ? 525 PHE A O 1 +ATOM 4057 C CB . PHE A 1 525 ? 85.545 20.724 41.701 1.00 7.13 ? ? ? ? ? ? 525 PHE A CB 1 +ATOM 4058 C CG . PHE A 1 525 ? 85.322 22.122 41.185 1.00 5.77 ? ? ? ? ? ? 525 PHE A CG 1 +ATOM 4059 C CD1 . PHE A 1 525 ? 84.367 22.368 40.209 1.00 2.41 ? ? ? ? ? ? 525 PHE A CD1 1 +ATOM 4060 C CD2 . PHE A 1 525 ? 86.000 23.202 41.739 1.00 4.71 ? ? ? ? ? ? 525 PHE A CD2 1 +ATOM 4061 C CE1 . PHE A 1 525 ? 84.088 23.655 39.803 1.00 2.88 ? ? ? ? ? ? 525 PHE A CE1 1 +ATOM 4062 C CE2 . PHE A 1 525 ? 85.721 24.506 41.332 1.00 2.68 ? ? ? ? ? ? 525 PHE A CE2 1 +ATOM 4063 C CZ . PHE A 1 525 ? 84.766 24.729 40.367 1.00 2.53 ? ? ? ? ? ? 525 PHE A CZ 1 +ATOM 4064 N N . ILE A 1 526 ? 88.909 20.210 40.406 1.00 11.63 ? ? ? ? ? ? 526 ILE A N 1 +ATOM 4065 C CA . ILE A 1 526 ? 90.297 20.477 40.759 1.00 11.82 ? ? ? ? ? ? 526 ILE A CA 1 +ATOM 4066 C C . ILE A 1 526 ? 90.797 21.806 40.229 1.00 13.75 ? ? ? ? ? ? 526 ILE A C 1 +ATOM 4067 O O . ILE A 1 526 ? 91.254 21.893 39.093 1.00 15.14 ? ? ? ? ? ? 526 ILE A O 1 +ATOM 4068 C CB . ILE A 1 526 ? 91.248 19.359 40.239 1.00 10.90 ? ? ? ? ? ? 526 ILE A CB 1 +ATOM 4069 C CG1 . ILE A 1 526 ? 90.747 17.961 40.649 1.00 8.25 ? ? ? ? ? ? 526 ILE A CG1 1 +ATOM 4070 C CG2 . ILE A 1 526 ? 92.658 19.602 40.760 1.00 9.85 ? ? ? ? ? ? 526 ILE A CG2 1 +ATOM 4071 C CD1 . ILE A 1 526 ? 90.872 17.628 42.136 1.00 4.74 ? ? ? ? ? ? 526 ILE A CD1 1 +ATOM 4072 N N . GLN A 1 527 ? 90.729 22.844 41.054 1.00 15.56 ? ? ? ? ? ? 527 GLN A N 1 +ATOM 4073 C CA . GLN A 1 527 ? 91.198 24.164 40.642 1.00 14.34 ? ? ? ? ? ? 527 GLN A CA 1 +ATOM 4074 C C . GLN A 1 527 ? 92.726 24.187 40.626 1.00 15.21 ? ? ? ? ? ? 527 GLN A C 1 +ATOM 4075 O O . GLN A 1 527 ? 93.358 23.886 41.646 1.00 14.90 ? ? ? ? ? ? 527 GLN A O 1 +ATOM 4076 C CB . GLN A 1 527 ? 90.766 25.225 41.649 1.00 12.67 ? ? ? ? ? ? 527 GLN A CB 1 +ATOM 4077 C CG . GLN A 1 527 ? 89.308 25.526 41.790 1.00 8.99 ? ? ? ? ? ? 527 GLN A CG 1 +ATOM 4078 C CD . GLN A 1 527 ? 89.035 26.094 43.165 1.00 9.11 ? ? ? ? ? ? 527 GLN A CD 1 +ATOM 4079 O OE1 . GLN A 1 527 ? 88.415 25.440 44.002 1.00 8.58 ? ? ? ? ? ? 527 GLN A OE1 1 +ATOM 4080 N NE2 . GLN A 1 527 ? 89.559 27.283 43.434 1.00 7.88 ? ? ? ? ? ? 527 GLN A NE2 1 +ATOM 4081 N N . TRP A 1 528 ? 93.310 24.574 39.498 1.00 14.48 ? ? ? ? ? ? 528 TRP A N 1 +ATOM 4082 C CA . TRP A 1 528 ? 94.753 24.690 39.404 1.00 15.40 ? ? ? ? ? ? 528 TRP A CA 1 +ATOM 4083 C C . TRP A 1 528 ? 95.197 25.901 40.252 1.00 17.30 ? ? ? ? ? ? 528 TRP A C 1 +ATOM 4084 O O . TRP A 1 528 ? 94.371 26.756 40.604 1.00 17.66 ? ? ? ? ? ? 528 TRP A O 1 +ATOM 4085 C CB . TRP A 1 528 ? 95.191 24.855 37.939 1.00 15.00 ? ? ? ? ? ? 528 TRP A CB 1 +ATOM 4086 C CG . TRP A 1 528 ? 94.631 26.049 37.200 1.00 15.93 ? ? ? ? ? ? 528 TRP A CG 1 +ATOM 4087 C CD1 . TRP A 1 528 ? 93.607 26.048 36.281 1.00 16.17 ? ? ? ? ? ? 528 TRP A CD1 1 +ATOM 4088 C CD2 . TRP A 1 528 ? 95.100 27.403 37.268 1.00 15.00 ? ? ? ? ? ? 528 TRP A CD2 1 +ATOM 4089 N NE1 . TRP A 1 528 ? 93.422 27.316 35.776 1.00 14.39 ? ? ? ? ? ? 528 TRP A NE1 1 +ATOM 4090 C CE2 . TRP A 1 528 ? 94.324 28.165 36.366 1.00 14.89 ? ? ? ? ? ? 528 TRP A CE2 1 +ATOM 4091 C CE3 . TRP A 1 528 ? 96.104 28.048 38.003 1.00 14.39 ? ? ? ? ? ? 528 TRP A CE3 1 +ATOM 4092 C CZ2 . TRP A 1 528 ? 94.522 29.538 36.182 1.00 14.48 ? ? ? ? ? ? 528 TRP A CZ2 1 +ATOM 4093 C CZ3 . TRP A 1 528 ? 96.298 29.420 37.815 1.00 14.04 ? ? ? ? ? ? 528 TRP A CZ3 1 +ATOM 4094 C CH2 . TRP A 1 528 ? 95.511 30.144 36.914 1.00 12.46 ? ? ? ? ? ? 528 TRP A CH2 1 +ATOM 4095 N N . PRO A 1 529 ? 96.485 25.957 40.657 1.00 18.63 ? ? ? ? ? ? 529 PRO A N 1 +ATOM 4096 C CA . PRO A 1 529 ? 97.554 24.985 40.388 1.00 17.54 ? ? ? ? ? ? 529 PRO A CA 1 +ATOM 4097 C C . PRO A 1 529 ? 97.325 23.677 41.129 1.00 17.00 ? ? ? ? ? ? 529 PRO A C 1 +ATOM 4098 O O . PRO A 1 529 ? 96.783 23.649 42.236 1.00 16.83 ? ? ? ? ? ? 529 PRO A O 1 +ATOM 4099 C CB . PRO A 1 529 ? 98.810 25.675 40.948 1.00 18.01 ? ? ? ? ? ? 529 PRO A CB 1 +ATOM 4100 C CG . PRO A 1 529 ? 98.442 27.149 41.006 1.00 18.94 ? ? ? ? ? ? 529 PRO A CG 1 +ATOM 4101 C CD . PRO A 1 529 ? 97.008 27.094 41.446 1.00 18.86 ? ? ? ? ? ? 529 PRO A CD 1 +ATOM 4102 N N . CYS A 1 530 ? 97.710 22.592 40.485 1.00 15.99 ? ? ? ? ? ? 530 CYS A N 1 +ATOM 4103 C CA . CYS A 1 530 ? 97.630 21.272 41.065 1.00 16.26 ? ? ? ? ? ? 530 CYS A CA 1 +ATOM 4104 C C . CYS A 1 530 ? 98.882 20.704 40.442 1.00 17.38 ? ? ? ? ? ? 530 CYS A C 1 +ATOM 4105 O O . CYS A 1 530 ? 98.935 20.432 39.234 1.00 17.73 ? ? ? ? ? ? 530 CYS A O 1 +ATOM 4106 C CB . CYS A 1 530 ? 96.394 20.515 40.603 1.00 15.12 ? ? ? ? ? ? 530 CYS A CB 1 +ATOM 4107 S SG . CYS A 1 530 ? 96.239 18.926 41.421 1.00 14.37 ? ? ? ? ? ? 530 CYS A SG 1 +ATOM 4108 N N . ARG A 1 531 ? 99.923 20.647 41.255 1.00 17.70 ? ? ? ? ? ? 531 ARG A N 1 +ATOM 4109 C CA . ARG A 1 531 ? 101.221 20.197 40.807 1.00 19.17 ? ? ? ? ? ? 531 ARG A CA 1 +ATOM 4110 C C . ARG A 1 531 ? 101.518 18.717 40.978 1.00 21.72 ? ? ? ? ? ? 531 ARG A C 1 +ATOM 4111 O O . ARG A 1 531 ? 101.998 18.056 40.046 1.00 23.02 ? ? ? ? ? ? 531 ARG A O 1 +ATOM 4112 C CB . ARG A 1 531 ? 102.293 21.053 41.476 1.00 16.72 ? ? ? ? ? ? 531 ARG A CB 1 +ATOM 4113 C CG . ARG A 1 531 ? 102.166 22.503 41.084 1.00 17.73 ? ? ? ? ? ? 531 ARG A CG 1 +ATOM 4114 C CD . ARG A 1 531 ? 103.185 23.394 41.736 1.00 18.45 ? ? ? ? ? ? 531 ARG A CD 1 +ATOM 4115 N NE . ARG A 1 531 ? 103.740 24.300 40.748 1.00 21.17 ? ? ? ? ? ? 531 ARG A NE 1 +ATOM 4116 C CZ . ARG A 1 531 ? 104.866 24.064 40.084 1.00 23.54 ? ? ? ? ? ? 531 ARG A CZ 1 +ATOM 4117 N NH1 . ARG A 1 531 ? 105.550 22.948 40.325 1.00 24.32 ? ? ? ? ? ? 531 ARG A NH1 1 +ATOM 4118 N NH2 . ARG A 1 531 ? 105.284 24.912 39.143 1.00 25.59 ? ? ? ? ? ? 531 ARG A NH2 1 +ATOM 4119 N N . ASP A 1 532 ? 101.212 18.177 42.146 1.00 22.86 ? ? ? ? ? ? 532 ASP A N 1 +ATOM 4120 C CA . ASP A 1 532 ? 101.500 16.780 42.379 1.00 25.73 ? ? ? ? ? ? 532 ASP A CA 1 +ATOM 4121 C C . ASP A 1 532 ? 100.335 15.874 42.061 1.00 25.47 ? ? ? ? ? ? 532 ASP A C 1 +ATOM 4122 O O . ASP A 1 532 ? 99.210 16.156 42.435 1.00 23.94 ? ? ? ? ? ? 532 ASP A O 1 +ATOM 4123 C CB . ASP A 1 532 ? 101.923 16.569 43.827 1.00 29.18 ? ? ? ? ? ? 532 ASP A CB 1 +ATOM 4124 C CG . ASP A 1 532 ? 102.996 17.548 44.274 1.00 32.28 ? ? ? ? ? ? 532 ASP A CG 1 +ATOM 4125 O OD1 . ASP A 1 532 ? 103.829 17.962 43.422 1.00 32.66 ? ? ? ? ? ? 532 ASP A OD1 1 +ATOM 4126 O OD2 . ASP A 1 532 ? 102.997 17.898 45.486 1.00 34.17 ? ? ? ? ? ? 532 ASP A OD2 1 +ATOM 4127 N N . THR A 1 533 ? 100.618 14.771 41.381 1.00 26.78 ? ? ? ? ? ? 533 THR A N 1 +ATOM 4128 C CA . THR A 1 533 ? 99.579 13.806 41.062 1.00 28.26 ? ? ? ? ? ? 533 THR A CA 1 +ATOM 4129 C C . THR A 1 533 ? 99.018 13.210 42.363 1.00 28.67 ? ? ? ? ? ? 533 THR A C 1 +ATOM 4130 O O . THR A 1 533 ? 97.878 12.711 42.406 1.00 28.57 ? ? ? ? ? ? 533 THR A O 1 +ATOM 4131 C CB . THR A 1 533 ? 100.113 12.737 40.117 1.00 27.70 ? ? ? ? ? ? 533 THR A CB 1 +ATOM 4132 O OG1 . THR A 1 533 ? 100.368 13.335 38.839 1.00 27.49 ? ? ? ? ? ? 533 THR A OG1 1 +ATOM 4133 C CG2 . THR A 1 533 ? 99.083 11.655 39.912 1.00 32.14 ? ? ? ? ? ? 533 THR A CG2 1 +ATOM 4134 N N . SER A 1 534 ? 99.826 13.302 43.422 1.00 29.18 ? ? ? ? ? ? 534 SER A N 1 +ATOM 4135 C CA . SER A 1 534 ? 99.465 12.848 44.764 1.00 29.57 ? ? ? ? ? ? 534 SER A CA 1 +ATOM 4136 C C . SER A 1 534 ? 98.041 13.272 45.131 1.00 30.47 ? ? ? ? ? ? 534 SER A C 1 +ATOM 4137 O O . SER A 1 534 ? 97.707 14.459 45.101 1.00 30.96 ? ? ? ? ? ? 534 SER A O 1 +ATOM 4138 C CB . SER A 1 534 ? 100.433 13.469 45.777 1.00 29.36 ? ? ? ? ? ? 534 SER A CB 1 +ATOM 4139 O OG . SER A 1 534 ? 99.877 13.498 47.088 1.00 29.66 ? ? ? ? ? ? 534 SER A OG 1 +ATOM 4140 N N . ASP A 1 535 ? 97.220 12.320 45.552 1.00 31.63 ? ? ? ? ? ? 535 ASP A N 1 +ATOM 4141 C CA . ASP A 1 535 ? 95.854 12.667 45.923 1.00 32.41 ? ? ? ? ? ? 535 ASP A CA 1 +ATOM 4142 C C . ASP A 1 535 ? 95.736 13.576 47.144 1.00 30.68 ? ? ? ? ? ? 535 ASP A C 1 +ATOM 4143 O O . ASP A 1 535 ? 94.645 13.965 47.527 1.00 29.87 ? ? ? ? ? ? 535 ASP A O 1 +ATOM 4144 C CB . ASP A 1 535 ? 94.949 11.429 46.021 1.00 33.95 ? ? ? ? ? ? 535 ASP A CB 1 +ATOM 4145 C CG . ASP A 1 535 ? 93.916 11.380 44.883 1.00 35.97 ? ? ? ? ? ? 535 ASP A CG 1 +ATOM 4146 O OD1 . ASP A 1 535 ? 93.123 12.340 44.755 1.00 35.90 ? ? ? ? ? ? 535 ASP A OD1 1 +ATOM 4147 O OD2 . ASP A 1 535 ? 93.912 10.410 44.094 1.00 36.89 ? ? ? ? ? ? 535 ASP A OD2 1 +ATOM 4148 N N . ALA A 1 536 ? 96.861 13.942 47.736 1.00 29.45 ? ? ? ? ? ? 536 ALA A N 1 +ATOM 4149 C CA . ALA A 1 536 ? 96.840 14.850 48.869 1.00 29.44 ? ? ? ? ? ? 536 ALA A CA 1 +ATOM 4150 C C . ALA A 1 536 ? 96.767 16.257 48.311 1.00 29.47 ? ? ? ? ? ? 536 ALA A C 1 +ATOM 4151 O O . ALA A 1 536 ? 96.458 17.203 49.026 1.00 31.17 ? ? ? ? ? ? 536 ALA A O 1 +ATOM 4152 C CB . ALA A 1 536 ? 98.099 14.710 49.664 1.00 30.27 ? ? ? ? ? ? 536 ALA A CB 1 +ATOM 4153 N N . ASP A 1 537 ? 97.101 16.383 47.035 1.00 28.39 ? ? ? ? ? ? 537 ASP A N 1 +ATOM 4154 C CA . ASP A 1 537 ? 97.113 17.654 46.334 1.00 27.39 ? ? ? ? ? ? 537 ASP A CA 1 +ATOM 4155 C C . ASP A 1 537 ? 95.763 17.804 45.621 1.00 27.24 ? ? ? ? ? ? 537 ASP A C 1 +ATOM 4156 O O . ASP A 1 537 ? 95.624 17.509 44.428 1.00 27.92 ? ? ? ? ? ? 537 ASP A O 1 +ATOM 4157 C CB . ASP A 1 537 ? 98.272 17.637 45.323 1.00 28.21 ? ? ? ? ? ? 537 ASP A CB 1 +ATOM 4158 C CG . ASP A 1 537 ? 98.567 18.997 44.719 1.00 27.57 ? ? ? ? ? ? 537 ASP A CG 1 +ATOM 4159 O OD1 . ASP A 1 537 ? 97.626 19.728 44.353 1.00 28.95 ? ? ? ? ? ? 537 ASP A OD1 1 +ATOM 4160 O OD2 . ASP A 1 537 ? 99.765 19.321 44.582 1.00 28.94 ? ? ? ? ? ? 537 ASP A OD2 1 +ATOM 4161 N N . GLN A 1 538 ? 94.764 18.285 46.343 1.00 25.04 ? ? ? ? ? ? 538 GLN A N 1 +ATOM 4162 C CA . GLN A 1 538 ? 93.458 18.449 45.735 1.00 22.65 ? ? ? ? ? ? 538 GLN A CA 1 +ATOM 4163 C C . GLN A 1 538 ? 93.243 19.744 44.942 1.00 21.09 ? ? ? ? ? ? 538 GLN A C 1 +ATOM 4164 O O . GLN A 1 538 ? 92.200 19.925 44.341 1.00 20.61 ? ? ? ? ? ? 538 GLN A O 1 +ATOM 4165 C CB . GLN A 1 538 ? 92.368 18.231 46.784 1.00 22.04 ? ? ? ? ? ? 538 GLN A CB 1 +ATOM 4166 C CG . GLN A 1 538 ? 92.194 16.773 47.155 1.00 21.97 ? ? ? ? ? ? 538 GLN A CG 1 +ATOM 4167 C CD . GLN A 1 538 ? 92.044 15.877 45.922 1.00 24.51 ? ? ? ? ? ? 538 GLN A CD 1 +ATOM 4168 O OE1 . GLN A 1 538 ? 91.584 16.323 44.870 1.00 28.00 ? ? ? ? ? ? 538 GLN A OE1 1 +ATOM 4169 N NE2 . GLN A 1 538 ? 92.458 14.624 46.040 1.00 22.57 ? ? ? ? ? ? 538 GLN A NE2 1 +ATOM 4170 N N . GLY A 1 539 ? 94.240 20.621 44.903 1.00 19.93 ? ? ? ? ? ? 539 GLY A N 1 +ATOM 4171 C CA . GLY A 1 539 ? 94.086 21.865 44.165 1.00 20.02 ? ? ? ? ? ? 539 GLY A CA 1 +ATOM 4172 C C . GLY A 1 539 ? 94.165 23.143 45.001 1.00 19.09 ? ? ? ? ? ? 539 GLY A C 1 +ATOM 4173 O O . GLY A 1 539 ? 94.103 23.109 46.236 1.00 20.09 ? ? ? ? ? ? 539 GLY A O 1 +ATOM 4174 N N . THR A 1 540 ? 94.207 24.285 44.327 1.00 17.24 ? ? ? ? ? ? 540 THR A N 1 +ATOM 4175 C CA . THR A 1 540 ? 94.342 25.565 44.998 1.00 16.59 ? ? ? ? ? ? 540 THR A CA 1 +ATOM 4176 C C . THR A 1 540 ? 93.017 26.316 45.064 1.00 17.15 ? ? ? ? ? ? 540 THR A C 1 +ATOM 4177 O O . THR A 1 540 ? 92.432 26.659 44.038 1.00 17.47 ? ? ? ? ? ? 540 THR A O 1 +ATOM 4178 C CB . THR A 1 540 ? 95.428 26.374 44.278 1.00 17.10 ? ? ? ? ? ? 540 THR A CB 1 +ATOM 4179 O OG1 . THR A 1 540 ? 96.670 25.667 44.364 1.00 18.79 ? ? ? ? ? ? 540 THR A OG1 1 +ATOM 4180 C CG2 . THR A 1 540 ? 95.610 27.723 44.878 1.00 19.58 ? ? ? ? ? ? 540 THR A CG2 1 +ATOM 4181 N N . SER A 1 541 ? 92.541 26.574 46.281 1.00 17.43 ? ? ? ? ? ? 541 SER A N 1 +ATOM 4182 C CA . SER A 1 541 ? 91.267 27.262 46.480 1.00 17.43 ? ? ? ? ? ? 541 SER A CA 1 +ATOM 4183 C C . SER A 1 541 ? 91.303 28.770 46.335 1.00 18.63 ? ? ? ? ? ? 541 SER A C 1 +ATOM 4184 O O . SER A 1 541 ? 90.328 29.372 45.879 1.00 20.66 ? ? ? ? ? ? 541 SER A O 1 +ATOM 4185 C CB . SER A 1 541 ? 90.680 26.943 47.836 1.00 15.38 ? ? ? ? ? ? 541 SER A CB 1 +ATOM 4186 O OG . SER A 1 541 ? 89.413 27.556 47.958 1.00 15.48 ? ? ? ? ? ? 541 SER A OG 1 +ATOM 4187 N N . TYR A 1 542 ? 92.342 29.397 46.858 1.00 17.46 ? ? ? ? ? ? 542 TYR A N 1 +ATOM 4188 C CA . TYR A 1 542 ? 92.451 30.836 46.737 1.00 17.99 ? ? ? ? ? ? 542 TYR A CA 1 +ATOM 4189 C C . TYR A 1 542 ? 93.917 31.119 46.470 1.00 19.49 ? ? ? ? ? ? 542 TYR A C 1 +ATOM 4190 O O . TYR A 1 542 ? 94.794 30.287 46.780 1.00 20.69 ? ? ? ? ? ? 542 TYR A O 1 +ATOM 4191 C CB . TYR A 1 542 ? 91.918 31.573 47.977 1.00 16.60 ? ? ? ? ? ? 542 TYR A CB 1 +ATOM 4192 C CG . TYR A 1 542 ? 92.720 31.419 49.257 1.00 17.14 ? ? ? ? ? ? 542 TYR A CG 1 +ATOM 4193 C CD1 . TYR A 1 542 ? 93.810 32.231 49.509 1.00 16.36 ? ? ? ? ? ? 542 TYR A CD1 1 +ATOM 4194 C CD2 . TYR A 1 542 ? 92.383 30.469 50.217 1.00 18.21 ? ? ? ? ? ? 542 TYR A CD2 1 +ATOM 4195 C CE1 . TYR A 1 542 ? 94.549 32.112 50.665 1.00 15.22 ? ? ? ? ? ? 542 TYR A CE1 1 +ATOM 4196 C CE2 . TYR A 1 542 ? 93.125 30.340 51.384 1.00 17.49 ? ? ? ? ? ? 542 TYR A CE2 1 +ATOM 4197 C CZ . TYR A 1 542 ? 94.213 31.172 51.592 1.00 17.18 ? ? ? ? ? ? 542 TYR A CZ 1 +ATOM 4198 O OH . TYR A 1 542 ? 94.996 31.047 52.713 1.00 19.01 ? ? ? ? ? ? 542 TYR A OH 1 +ATOM 4199 N N . LEU A 1 543 ? 94.187 32.259 45.845 1.00 17.92 ? ? ? ? ? ? 543 LEU A N 1 +ATOM 4200 C CA . LEU A 1 543 ? 95.542 32.604 45.503 1.00 15.81 ? ? ? ? ? ? 543 LEU A CA 1 +ATOM 4201 C C . LEU A 1 543 ? 96.157 33.628 46.428 1.00 15.56 ? ? ? ? ? ? 543 LEU A C 1 +ATOM 4202 O O . LEU A 1 543 ? 95.533 34.124 47.365 1.00 13.22 ? ? ? ? ? ? 543 LEU A O 1 +ATOM 4203 C CB . LEU A 1 543 ? 95.605 33.114 44.058 1.00 14.60 ? ? ? ? ? ? 543 LEU A CB 1 +ATOM 4204 C CG . LEU A 1 543 ? 95.051 32.205 42.950 1.00 13.25 ? ? ? ? ? ? 543 LEU A CG 1 +ATOM 4205 C CD1 . LEU A 1 543 ? 95.254 32.859 41.577 1.00 10.93 ? ? ? ? ? ? 543 LEU A CD1 1 +ATOM 4206 C CD2 . LEU A 1 543 ? 95.714 30.827 42.999 1.00 10.03 ? ? ? ? ? ? 543 LEU A CD2 1 +ATOM 4207 N N . PHE A 1 544 ? 97.435 33.868 46.182 1.00 16.37 ? ? ? ? ? ? 544 PHE A N 1 +ATOM 4208 C CA . PHE A 1 544 ? 98.206 34.858 46.908 1.00 15.87 ? ? ? ? ? ? 544 PHE A CA 1 +ATOM 4209 C C . PHE A 1 544 ? 98.218 34.685 48.414 1.00 17.91 ? ? ? ? ? ? 544 PHE A C 1 +ATOM 4210 O O . PHE A 1 544 ? 98.154 35.666 49.145 1.00 18.31 ? ? ? ? ? ? 544 PHE A O 1 +ATOM 4211 C CB . PHE A 1 544 ? 97.716 36.262 46.536 1.00 12.58 ? ? ? ? ? ? 544 PHE A CB 1 +ATOM 4212 C CG . PHE A 1 544 ? 97.231 36.386 45.110 1.00 8.78 ? ? ? ? ? ? 544 PHE A CG 1 +ATOM 4213 C CD1 . PHE A 1 544 ? 98.009 35.950 44.053 1.00 8.58 ? ? ? ? ? ? 544 PHE A CD1 1 +ATOM 4214 C CD2 . PHE A 1 544 ? 95.997 36.951 44.837 1.00 9.04 ? ? ? ? ? ? 544 PHE A CD2 1 +ATOM 4215 C CE1 . PHE A 1 544 ? 97.573 36.066 42.754 1.00 7.35 ? ? ? ? ? ? 544 PHE A CE1 1 +ATOM 4216 C CE2 . PHE A 1 544 ? 95.545 37.077 43.535 1.00 8.09 ? ? ? ? ? ? 544 PHE A CE2 1 +ATOM 4217 C CZ . PHE A 1 544 ? 96.339 36.635 42.494 1.00 9.18 ? ? ? ? ? ? 544 PHE A CZ 1 +ATOM 4218 N N . LYS A 1 545 ? 98.326 33.439 48.876 1.00 21.09 ? ? ? ? ? ? 545 LYS A N 1 +ATOM 4219 C CA . LYS A 1 545 ? 98.391 33.162 50.317 1.00 22.28 ? ? ? ? ? ? 545 LYS A CA 1 +ATOM 4220 C C . LYS A 1 545 ? 99.741 33.574 50.927 1.00 22.04 ? ? ? ? ? ? 545 LYS A C 1 +ATOM 4221 O O . LYS A 1 545 ? 99.796 34.113 52.031 1.00 20.58 ? ? ? ? ? ? 545 LYS A O 1 +ATOM 4222 C CB . LYS A 1 545 ? 98.133 31.684 50.622 1.00 22.60 ? ? ? ? ? ? 545 LYS A CB 1 +ATOM 4223 C CG . LYS A 1 545 ? 97.863 31.450 52.109 1.00 23.46 ? ? ? ? ? ? 545 LYS A CG 1 +ATOM 4224 C CD . LYS A 1 545 ? 97.881 30.002 52.484 1.00 25.21 ? ? ? ? ? ? 545 LYS A CD 1 +ATOM 4225 C CE . LYS A 1 545 ? 98.001 29.877 53.985 1.00 28.98 ? ? ? ? ? ? 545 LYS A CE 1 +ATOM 4226 N NZ . LYS A 1 545 ? 98.562 28.543 54.422 1.00 33.36 ? ? ? ? ? ? 545 LYS A NZ 1 +ATOM 4227 N N . GLU A 1 546 ? 100.828 33.305 50.215 1.00 23.83 ? ? ? ? ? ? 546 GLU A N 1 +ATOM 4228 C CA . GLU A 1 546 ? 102.154 33.666 50.716 1.00 26.14 ? ? ? ? ? ? 546 GLU A CA 1 +ATOM 4229 C C . GLU A 1 546 ? 102.744 34.881 49.986 1.00 25.26 ? ? ? ? ? ? 546 GLU A C 1 +ATOM 4230 O O . GLU A 1 546 ? 103.180 35.841 50.617 1.00 25.23 ? ? ? ? ? ? 546 GLU A O 1 +ATOM 4231 C CB . GLU A 1 546 ? 103.092 32.456 50.670 1.00 29.12 ? ? ? ? ? ? 546 GLU A CB 1 +ATOM 4232 C CG . GLU A 1 546 ? 102.651 31.281 51.589 1.00 33.84 ? ? ? ? ? ? 546 GLU A CG 1 +ATOM 4233 C CD . GLU A 1 546 ? 102.768 31.596 53.091 1.00 36.84 ? ? ? ? ? ? 546 GLU A CD 1 +ATOM 4234 O OE1 . GLU A 1 546 ? 103.897 31.881 53.561 1.00 39.16 ? ? ? ? ? ? 546 GLU A OE1 1 +ATOM 4235 O OE2 . GLU A 1 546 ? 101.740 31.539 53.807 1.00 38.95 ? ? ? ? ? ? 546 GLU A OE2 1 +ATOM 4236 N N . LYS A 1 547 ? 102.738 34.856 48.662 1.00 24.49 ? ? ? ? ? ? 547 LYS A N 1 +ATOM 4237 C CA . LYS A 1 547 ? 103.243 35.989 47.909 1.00 24.59 ? ? ? ? ? ? 547 LYS A CA 1 +ATOM 4238 C C . LYS A 1 547 ? 102.239 36.303 46.805 1.00 23.54 ? ? ? ? ? ? 547 LYS A C 1 +ATOM 4239 O O . LYS A 1 547 ? 101.279 35.561 46.634 1.00 22.83 ? ? ? ? ? ? 547 LYS A O 1 +ATOM 4240 C CB . LYS A 1 547 ? 104.643 35.719 47.349 1.00 26.55 ? ? ? ? ? ? 547 LYS A CB 1 +ATOM 4241 C CG . LYS A 1 547 ? 104.717 34.667 46.264 1.00 29.20 ? ? ? ? ? ? 547 LYS A CG 1 +ATOM 4242 C CD . LYS A 1 547 ? 106.154 34.480 45.785 1.00 31.07 ? ? ? ? ? ? 547 LYS A CD 1 +ATOM 4243 C CE . LYS A 1 547 ? 106.199 33.518 44.603 1.00 32.92 ? ? ? ? ? ? 547 LYS A CE 1 +ATOM 4244 N NZ . LYS A 1 547 ? 105.236 33.939 43.524 1.00 34.06 ? ? ? ? ? ? 547 LYS A NZ 1 +ATOM 4245 N N . PHE A 1 548 ? 102.475 37.380 46.052 1.00 22.27 ? ? ? ? ? ? 548 PHE A N 1 +ATOM 4246 C CA . PHE A 1 548 ? 101.561 37.813 45.004 1.00 20.69 ? ? ? ? ? ? 548 PHE A CA 1 +ATOM 4247 C C . PHE A 1 548 ? 101.836 37.445 43.547 1.00 22.03 ? ? ? ? ? ? 548 PHE A C 1 +ATOM 4248 O O . PHE A 1 548 ? 101.165 37.971 42.665 1.00 24.44 ? ? ? ? ? ? 548 PHE A O 1 +ATOM 4249 C CB . PHE A 1 548 ? 101.352 39.326 45.081 1.00 17.79 ? ? ? ? ? ? 548 PHE A CB 1 +ATOM 4250 C CG . PHE A 1 548 ? 100.208 39.751 45.964 1.00 18.14 ? ? ? ? ? ? 548 PHE A CG 1 +ATOM 4251 C CD1 . PHE A 1 548 ? 98.945 39.209 45.815 1.00 16.39 ? ? ? ? ? ? 548 PHE A CD1 1 +ATOM 4252 C CD2 . PHE A 1 548 ? 100.395 40.708 46.956 1.00 17.97 ? ? ? ? ? ? 548 PHE A CD2 1 +ATOM 4253 C CE1 . PHE A 1 548 ? 97.888 39.611 46.645 1.00 15.32 ? ? ? ? ? ? 548 PHE A CE1 1 +ATOM 4254 C CE2 . PHE A 1 548 ? 99.338 41.105 47.778 1.00 16.20 ? ? ? ? ? ? 548 PHE A CE2 1 +ATOM 4255 C CZ . PHE A 1 548 ? 98.088 40.554 47.620 1.00 14.35 ? ? ? ? ? ? 548 PHE A CZ 1 +ATOM 4256 N N . ASP A 1 549 ? 102.813 36.602 43.245 1.00 20.72 ? ? ? ? ? ? 549 ASP A N 1 +ATOM 4257 C CA . ASP A 1 549 ? 103.036 36.272 41.830 1.00 21.70 ? ? ? ? ? ? 549 ASP A CA 1 +ATOM 4258 C C . ASP A 1 549 ? 103.521 37.424 40.933 1.00 22.29 ? ? ? ? ? ? 549 ASP A C 1 +ATOM 4259 O O . ASP A 1 549 ? 103.677 37.243 39.716 1.00 21.99 ? ? ? ? ? ? 549 ASP A O 1 +ATOM 4260 C CB . ASP A 1 549 ? 101.771 35.697 41.197 1.00 21.26 ? ? ? ? ? ? 549 ASP A CB 1 +ATOM 4261 C CG . ASP A 1 549 ? 101.313 34.438 41.858 1.00 22.63 ? ? ? ? ? ? 549 ASP A CG 1 +ATOM 4262 O OD1 . ASP A 1 549 ? 101.826 34.095 42.953 1.00 20.84 ? ? ? ? ? ? 549 ASP A OD1 1 +ATOM 4263 O OD2 . ASP A 1 549 ? 100.425 33.788 41.265 1.00 25.27 ? ? ? ? ? ? 549 ASP A OD2 1 +ATOM 4264 N N . THR A 1 550 ? 103.652 38.623 41.496 1.00 21.83 ? ? ? ? ? ? 550 THR A N 1 +ATOM 4265 C CA . THR A 1 550 ? 104.170 39.752 40.734 1.00 20.40 ? ? ? ? ? ? 550 THR A CA 1 +ATOM 4266 C C . THR A 1 550 ? 105.673 39.461 40.687 1.00 21.06 ? ? ? ? ? ? 550 THR A C 1 +ATOM 4267 O O . THR A 1 550 ? 106.166 38.599 41.440 1.00 20.83 ? ? ? ? ? ? 550 THR A O 1 +ATOM 4268 C CB . THR A 1 550 ? 103.864 41.087 41.430 1.00 19.33 ? ? ? ? ? ? 550 THR A CB 1 +ATOM 4269 O OG1 . THR A 1 550 ? 104.047 40.945 42.845 1.00 19.02 ? ? ? ? ? ? 550 THR A OG1 1 +ATOM 4270 C CG2 . THR A 1 550 ? 102.437 41.522 41.134 1.00 15.56 ? ? ? ? ? ? 550 THR A CG2 1 +ATOM 4271 N N . PRO A 1 551 ? 106.422 40.137 39.809 1.00 21.28 ? ? ? ? ? ? 551 PRO A N 1 +ATOM 4272 C CA . PRO A 1 551 ? 107.862 39.851 39.752 1.00 22.10 ? ? ? ? ? ? 551 PRO A CA 1 +ATOM 4273 C C . PRO A 1 551 ? 108.574 39.937 41.082 1.00 22.04 ? ? ? ? ? ? 551 PRO A C 1 +ATOM 4274 O O . PRO A 1 551 ? 109.501 39.184 41.328 1.00 23.96 ? ? ? ? ? ? 551 PRO A O 1 +ATOM 4275 C CB . PRO A 1 551 ? 108.392 40.866 38.742 1.00 22.42 ? ? ? ? ? ? 551 PRO A CB 1 +ATOM 4276 C CG . PRO A 1 551 ? 107.314 41.962 38.730 1.00 24.48 ? ? ? ? ? ? 551 PRO A CG 1 +ATOM 4277 C CD . PRO A 1 551 ? 106.045 41.179 38.845 1.00 21.99 ? ? ? ? ? ? 551 PRO A CD 1 +ATOM 4278 N N . ASN A 1 552 ? 108.084 40.797 41.964 1.00 21.90 ? ? ? ? ? ? 552 ASN A N 1 +ATOM 4279 C CA . ASN A 1 552 ? 108.686 40.970 43.273 1.00 21.38 ? ? ? ? ? ? 552 ASN A CA 1 +ATOM 4280 C C . ASN A 1 552 ? 107.745 40.707 44.460 1.00 21.70 ? ? ? ? ? ? 552 ASN A C 1 +ATOM 4281 O O . ASN A 1 552 ? 107.947 41.262 45.533 1.00 23.16 ? ? ? ? ? ? 552 ASN A O 1 +ATOM 4282 C CB . ASN A 1 552 ? 109.293 42.370 43.382 1.00 22.16 ? ? ? ? ? ? 552 ASN A CB 1 +ATOM 4283 C CG . ASN A 1 552 ? 108.247 43.446 43.501 1.00 22.09 ? ? ? ? ? ? 552 ASN A CG 1 +ATOM 4284 O OD1 . ASN A 1 552 ? 107.304 43.510 42.708 1.00 23.05 ? ? ? ? ? ? 552 ASN A OD1 1 +ATOM 4285 N ND2 . ASN A 1 552 ? 108.403 44.302 44.493 1.00 23.52 ? ? ? ? ? ? 552 ASN A ND2 1 +ATOM 4286 N N . GLY A 1 553 ? 106.669 39.952 44.238 1.00 20.65 ? ? ? ? ? ? 553 GLY A N 1 +ATOM 4287 C CA . GLY A 1 553 ? 105.759 39.588 45.309 1.00 17.99 ? ? ? ? ? ? 553 GLY A CA 1 +ATOM 4288 C C . GLY A 1 553 ? 104.801 40.559 45.958 1.00 18.37 ? ? ? ? ? ? 553 GLY A C 1 +ATOM 4289 O O . GLY A 1 553 ? 104.041 40.165 46.845 1.00 17.45 ? ? ? ? ? ? 553 GLY A O 1 +ATOM 4290 N N . LEU A 1 554 ? 104.810 41.819 45.559 1.00 19.48 ? ? ? ? ? ? 554 LEU A N 1 +ATOM 4291 C CA . LEU A 1 554 ? 103.870 42.781 46.160 1.00 19.46 ? ? ? ? ? ? 554 LEU A CA 1 +ATOM 4292 C C . LEU A 1 554 ? 102.731 43.086 45.186 1.00 18.87 ? ? ? ? ? ? 554 LEU A C 1 +ATOM 4293 O O . LEU A 1 554 ? 102.920 43.002 43.972 1.00 19.74 ? ? ? ? ? ? 554 LEU A O 1 +ATOM 4294 C CB . LEU A 1 554 ? 104.595 44.094 46.482 1.00 18.07 ? ? ? ? ? ? 554 LEU A CB 1 +ATOM 4295 C CG . LEU A 1 554 ? 105.944 44.013 47.197 1.00 16.98 ? ? ? ? ? ? 554 LEU A CG 1 +ATOM 4296 C CD1 . LEU A 1 554 ? 106.512 45.399 47.398 1.00 17.17 ? ? ? ? ? ? 554 LEU A CD1 1 +ATOM 4297 C CD2 . LEU A 1 554 ? 105.769 43.328 48.521 1.00 17.13 ? ? ? ? ? ? 554 LEU A CD2 1 +ATOM 4298 N N . ALA A 1 555 ? 101.539 43.371 45.684 1.00 18.39 ? ? ? ? ? ? 555 ALA A N 1 +ATOM 4299 C CA . ALA A 1 555 ? 100.458 43.742 44.778 1.00 19.08 ? ? ? ? ? ? 555 ALA A CA 1 +ATOM 4300 C C . ALA A 1 555 ? 100.831 45.170 44.367 1.00 21.92 ? ? ? ? ? ? 555 ALA A C 1 +ATOM 4301 O O . ALA A 1 555 ? 101.543 45.867 45.121 1.00 23.78 ? ? ? ? ? ? 555 ALA A O 1 +ATOM 4302 C CB . ALA A 1 555 ? 99.160 43.749 45.494 1.00 18.32 ? ? ? ? ? ? 555 ALA A CB 1 +ATOM 4303 N N . GLN A 1 556 ? 100.400 45.603 43.181 1.00 21.89 ? ? ? ? ? ? 556 GLN A N 1 +ATOM 4304 C CA . GLN A 1 556 ? 100.706 46.948 42.702 1.00 20.51 ? ? ? ? ? ? 556 GLN A CA 1 +ATOM 4305 C C . GLN A 1 556 ? 99.478 47.838 42.663 1.00 20.14 ? ? ? ? ? ? 556 GLN A C 1 +ATOM 4306 O O . GLN A 1 556 ? 98.600 47.656 41.821 1.00 20.71 ? ? ? ? ? ? 556 GLN A O 1 +ATOM 4307 C CB . GLN A 1 556 ? 101.350 46.885 41.326 1.00 21.16 ? ? ? ? ? ? 556 GLN A CB 1 +ATOM 4308 C CG . GLN A 1 556 ? 102.874 47.084 41.331 1.00 25.44 ? ? ? ? ? ? 556 GLN A CG 1 +ATOM 4309 C CD . GLN A 1 556 ? 103.678 45.985 42.077 1.00 27.25 ? ? ? ? ? ? 556 GLN A CD 1 +ATOM 4310 O OE1 . GLN A 1 556 ? 104.789 46.239 42.555 1.00 25.75 ? ? ? ? ? ? 556 GLN A OE1 1 +ATOM 4311 N NE2 . GLN A 1 556 ? 103.137 44.774 42.140 1.00 25.38 ? ? ? ? ? ? 556 GLN A NE2 1 +ATOM 4312 N N . PHE A 1 557 ? 99.412 48.790 43.589 1.00 19.27 ? ? ? ? ? ? 557 PHE A N 1 +ATOM 4313 C CA . PHE A 1 557 ? 98.297 49.738 43.690 1.00 18.73 ? ? ? ? ? ? 557 PHE A CA 1 +ATOM 4314 C C . PHE A 1 557 ? 98.114 50.536 42.401 1.00 18.75 ? ? ? ? ? ? 557 PHE A C 1 +ATOM 4315 O O . PHE A 1 557 ? 99.097 50.910 41.769 1.00 19.61 ? ? ? ? ? ? 557 PHE A O 1 +ATOM 4316 C CB . PHE A 1 557 ? 98.585 50.727 44.809 1.00 17.53 ? ? ? ? ? ? 557 PHE A CB 1 +ATOM 4317 C CG . PHE A 1 557 ? 97.712 50.565 46.018 1.00 18.84 ? ? ? ? ? ? 557 PHE A CG 1 +ATOM 4318 C CD1 . PHE A 1 557 ? 96.390 51.021 46.006 1.00 18.81 ? ? ? ? ? ? 557 PHE A CD1 1 +ATOM 4319 C CD2 . PHE A 1 557 ? 98.228 50.029 47.198 1.00 17.10 ? ? ? ? ? ? 557 PHE A CD2 1 +ATOM 4320 C CE1 . PHE A 1 557 ? 95.602 50.954 47.156 1.00 18.93 ? ? ? ? ? ? 557 PHE A CE1 1 +ATOM 4321 C CE2 . PHE A 1 557 ? 97.446 49.959 48.344 1.00 18.66 ? ? ? ? ? ? 557 PHE A CE2 1 +ATOM 4322 C CZ . PHE A 1 557 ? 96.127 50.426 48.325 1.00 17.09 ? ? ? ? ? ? 557 PHE A CZ 1 +ATOM 4323 N N . PHE A 1 558 ? 96.873 50.871 42.050 1.00 19.16 ? ? ? ? ? ? 558 PHE A N 1 +ATOM 4324 C CA . PHE A 1 558 ? 96.634 51.642 40.833 1.00 18.43 ? ? ? ? ? ? 558 PHE A CA 1 +ATOM 4325 C C . PHE A 1 558 ? 95.247 52.233 40.557 1.00 18.69 ? ? ? ? ? ? 558 PHE A C 1 +ATOM 4326 O O . PHE A 1 558 ? 94.233 51.647 40.885 1.00 19.13 ? ? ? ? ? ? 558 PHE A O 1 +ATOM 4327 C CB . PHE A 1 558 ? 97.069 50.816 39.621 1.00 18.26 ? ? ? ? ? ? 558 PHE A CB 1 +ATOM 4328 C CG . PHE A 1 558 ? 96.833 51.499 38.312 1.00 19.11 ? ? ? ? ? ? 558 PHE A CG 1 +ATOM 4329 C CD1 . PHE A 1 558 ? 97.771 52.387 37.802 1.00 18.46 ? ? ? ? ? ? 558 PHE A CD1 1 +ATOM 4330 C CD2 . PHE A 1 558 ? 95.651 51.278 37.602 1.00 19.54 ? ? ? ? ? ? 558 PHE A CD2 1 +ATOM 4331 C CE1 . PHE A 1 558 ? 97.536 53.050 36.609 1.00 19.34 ? ? ? ? ? ? 558 PHE A CE1 1 +ATOM 4332 C CE2 . PHE A 1 558 ? 95.398 51.928 36.409 1.00 20.34 ? ? ? ? ? ? 558 PHE A CE2 1 +ATOM 4333 C CZ . PHE A 1 558 ? 96.345 52.823 35.905 1.00 20.99 ? ? ? ? ? ? 558 PHE A CZ 1 +ATOM 4334 N N . THR A 1 559 ? 95.249 53.426 39.971 1.00 21.22 ? ? ? ? ? ? 559 THR A N 1 +ATOM 4335 C CA . THR A 1 559 ? 94.065 54.160 39.495 1.00 24.03 ? ? ? ? ? ? 559 THR A CA 1 +ATOM 4336 C C . THR A 1 559 ? 94.510 55.224 38.505 1.00 24.88 ? ? ? ? ? ? 559 THR A C 1 +ATOM 4337 O O . THR A 1 559 ? 95.699 55.409 38.242 1.00 24.88 ? ? ? ? ? ? 559 THR A O 1 +ATOM 4338 C CB . THR A 1 559 ? 93.204 54.917 40.560 1.00 24.71 ? ? ? ? ? ? 559 THR A CB 1 +ATOM 4339 O OG1 . THR A 1 559 ? 94.020 55.562 41.552 1.00 25.75 ? ? ? ? ? ? 559 THR A OG1 1 +ATOM 4340 C CG2 . THR A 1 559 ? 92.170 54.026 41.136 1.00 24.80 ? ? ? ? ? ? 559 THR A CG2 1 +ATOM 4341 N N . CYS A 1 560 ? 93.532 55.967 38.016 1.00 26.27 ? ? ? ? ? ? 560 CYS A N 1 +ATOM 4342 C CA . CYS A 1 560 ? 93.765 57.034 37.073 1.00 27.43 ? ? ? ? ? ? 560 CYS A CA 1 +ATOM 4343 C C . CYS A 1 560 ? 92.536 57.913 37.167 1.00 27.70 ? ? ? ? ? ? 560 CYS A C 1 +ATOM 4344 O O . CYS A 1 560 ? 91.717 57.747 38.077 1.00 27.21 ? ? ? ? ? ? 560 CYS A O 1 +ATOM 4345 C CB . CYS A 1 560 ? 93.925 56.466 35.664 1.00 26.93 ? ? ? ? ? ? 560 CYS A CB 1 +ATOM 4346 S SG . CYS A 1 560 ? 92.521 55.536 35.077 1.00 29.10 ? ? ? ? ? ? 560 CYS A SG 1 +ATOM 4347 N N . ASP A 1 561 ? 92.432 58.879 36.269 1.00 28.58 ? ? ? ? ? ? 561 ASP A N 1 +ATOM 4348 C CA . ASP A 1 561 ? 91.279 59.758 36.270 1.00 29.48 ? ? ? ? ? ? 561 ASP A CA 1 +ATOM 4349 C C . ASP A 1 561 ? 90.162 59.164 35.421 1.00 29.81 ? ? ? ? ? ? 561 ASP A C 1 +ATOM 4350 O O . ASP A 1 561 ? 90.402 58.458 34.418 1.00 28.00 ? ? ? ? ? ? 561 ASP A O 1 +ATOM 4351 C CB . ASP A 1 561 ? 91.653 61.150 35.761 1.00 30.47 ? ? ? ? ? ? 561 ASP A CB 1 +ATOM 4352 C CG . ASP A 1 561 ? 92.504 61.917 36.749 1.00 32.23 ? ? ? ? ? ? 561 ASP A CG 1 +ATOM 4353 O OD1 . ASP A 1 561 ? 92.017 62.178 37.882 1.00 31.40 ? ? ? ? ? ? 561 ASP A OD1 1 +ATOM 4354 O OD2 . ASP A 1 561 ? 93.659 62.262 36.385 1.00 33.69 ? ? ? ? ? ? 561 ASP A OD2 1 +ATOM 4355 N N . TRP A 1 562 ? 88.937 59.393 35.872 1.00 29.46 ? ? ? ? ? ? 562 TRP A N 1 +ATOM 4356 C CA . TRP A 1 562 ? 87.786 58.896 35.153 1.00 29.70 ? ? ? ? ? ? 562 TRP A CA 1 +ATOM 4357 C C . TRP A 1 562 ? 87.795 59.515 33.745 1.00 29.34 ? ? ? ? ? ? 562 TRP A C 1 +ATOM 4358 O O . TRP A 1 562 ? 88.401 60.558 33.517 1.00 28.68 ? ? ? ? ? ? 562 TRP A O 1 +ATOM 4359 C CB . TRP A 1 562 ? 86.509 59.287 35.913 1.00 30.30 ? ? ? ? ? ? 562 TRP A CB 1 +ATOM 4360 C CG . TRP A 1 562 ? 85.273 58.993 35.144 1.00 31.58 ? ? ? ? ? ? 562 TRP A CG 1 +ATOM 4361 C CD1 . TRP A 1 562 ? 84.750 57.758 34.882 1.00 32.22 ? ? ? ? ? ? 562 TRP A CD1 1 +ATOM 4362 C CD2 . TRP A 1 562 ? 84.462 59.932 34.420 1.00 32.00 ? ? ? ? ? ? 562 TRP A CD2 1 +ATOM 4363 N NE1 . TRP A 1 562 ? 83.680 57.869 34.022 1.00 30.90 ? ? ? ? ? ? 562 TRP A NE1 1 +ATOM 4364 C CE2 . TRP A 1 562 ? 83.478 59.189 33.725 1.00 31.51 ? ? ? ? ? ? 562 TRP A CE2 1 +ATOM 4365 C CE3 . TRP A 1 562 ? 84.477 61.326 34.285 1.00 31.66 ? ? ? ? ? ? 562 TRP A CE3 1 +ATOM 4366 C CZ2 . TRP A 1 562 ? 82.520 59.791 32.907 1.00 31.20 ? ? ? ? ? ? 562 TRP A CZ2 1 +ATOM 4367 C CZ3 . TRP A 1 562 ? 83.522 61.926 33.467 1.00 31.84 ? ? ? ? ? ? 562 TRP A CZ3 1 +ATOM 4368 C CH2 . TRP A 1 562 ? 82.558 61.156 32.790 1.00 31.86 ? ? ? ? ? ? 562 TRP A CH2 1 +ATOM 4369 N N . VAL A 1 563 ? 87.205 58.820 32.787 1.00 28.99 ? ? ? ? ? ? 563 VAL A N 1 +ATOM 4370 C CA . VAL A 1 563 ? 87.084 59.331 31.430 1.00 29.01 ? ? ? ? ? ? 563 VAL A CA 1 +ATOM 4371 C C . VAL A 1 563 ? 85.785 58.711 30.932 1.00 30.65 ? ? ? ? ? ? 563 VAL A C 1 +ATOM 4372 O O . VAL A 1 563 ? 85.542 57.512 31.098 1.00 30.57 ? ? ? ? ? ? 563 VAL A O 1 +ATOM 4373 C CB . VAL A 1 563 ? 88.262 58.920 30.486 1.00 28.75 ? ? ? ? ? ? 563 VAL A CB 1 +ATOM 4374 C CG1 . VAL A 1 563 ? 88.034 59.473 29.082 1.00 26.35 ? ? ? ? ? ? 563 VAL A CG1 1 +ATOM 4375 C CG2 . VAL A 1 563 ? 89.588 59.419 31.019 1.00 26.11 ? ? ? ? ? ? 563 VAL A CG2 1 +ATOM 4376 N N . ALA A 1 564 ? 84.921 59.550 30.385 1.00 32.03 ? ? ? ? ? ? 564 ALA A N 1 +ATOM 4377 C CA . ALA A 1 564 ? 83.646 59.095 29.881 1.00 33.84 ? ? ? ? ? ? 564 ALA A CA 1 +ATOM 4378 C C . ALA A 1 564 ? 83.783 58.197 28.662 1.00 36.09 ? ? ? ? ? ? 564 ALA A C 1 +ATOM 4379 O O . ALA A 1 564 ? 84.808 58.210 27.973 1.00 35.93 ? ? ? ? ? ? 564 ALA A O 1 +ATOM 4380 C CB . ALA A 1 564 ? 82.787 60.278 29.553 1.00 34.67 ? ? ? ? ? ? 564 ALA A CB 1 +ATOM 4381 N N . PRO A 1 565 ? 82.764 57.355 28.409 1.00 38.25 ? ? ? ? ? ? 565 PRO A N 1 +ATOM 4382 C CA . PRO A 1 565 ? 82.833 56.475 27.246 1.00 40.20 ? ? ? ? ? ? 565 PRO A CA 1 +ATOM 4383 C C . PRO A 1 565 ? 82.941 57.359 26.009 1.00 42.68 ? ? ? ? ? ? 565 PRO A C 1 +ATOM 4384 O O . PRO A 1 565 ? 82.661 58.565 26.068 1.00 42.93 ? ? ? ? ? ? 565 PRO A O 1 +ATOM 4385 C CB . PRO A 1 565 ? 81.492 55.747 27.300 1.00 39.62 ? ? ? ? ? ? 565 PRO A CB 1 +ATOM 4386 C CG . PRO A 1 565 ? 81.186 55.720 28.770 1.00 38.73 ? ? ? ? ? ? 565 PRO A CG 1 +ATOM 4387 C CD . PRO A 1 565 ? 81.532 57.108 29.181 1.00 37.60 ? ? ? ? ? ? 565 PRO A CD 1 +ATOM 4388 N N . ILE A 1 566 ? 83.241 56.737 24.878 1.00 45.26 ? ? ? ? ? ? 566 ILE A N 1 +ATOM 4389 C CA . ILE A 1 566 ? 83.431 57.464 23.632 1.00 48.31 ? ? ? ? ? ? 566 ILE A CA 1 +ATOM 4390 C C . ILE A 1 566 ? 82.312 58.350 23.089 1.00 51.27 ? ? ? ? ? ? 566 ILE A C 1 +ATOM 4391 O O . ILE A 1 566 ? 82.429 59.571 23.160 1.00 53.11 ? ? ? ? ? ? 566 ILE A O 1 +ATOM 4392 C CB . ILE A 1 566 ? 83.991 56.530 22.575 1.00 47.45 ? ? ? ? ? ? 566 ILE A CB 1 +ATOM 4393 C CG1 . ILE A 1 566 ? 85.370 56.061 23.059 1.00 45.84 ? ? ? ? ? ? 566 ILE A CG1 1 +ATOM 4394 C CG2 . ILE A 1 566 ? 84.030 57.221 21.215 1.00 47.87 ? ? ? ? ? ? 566 ILE A CG2 1 +ATOM 4395 C CD1 . ILE A 1 566 ? 85.999 55.043 22.226 1.00 45.47 ? ? ? ? ? ? 566 ILE A CD1 1 +ATOM 4396 N N . ASP A 1 567 ? 81.248 57.757 22.548 1.00 53.60 ? ? ? ? ? ? 567 ASP A N 1 +ATOM 4397 C CA . ASP A 1 567 ? 80.119 58.518 21.986 1.00 56.21 ? ? ? ? ? ? 567 ASP A CA 1 +ATOM 4398 C C . ASP A 1 567 ? 79.575 59.571 22.969 1.00 58.46 ? ? ? ? ? ? 567 ASP A C 1 +ATOM 4399 O O . ASP A 1 567 ? 79.857 59.498 24.162 1.00 58.89 ? ? ? ? ? ? 567 ASP A O 1 +ATOM 4400 C CB . ASP A 1 567 ? 78.989 57.548 21.611 1.00 56.04 ? ? ? ? ? ? 567 ASP A CB 1 +ATOM 4401 C CG . ASP A 1 567 ? 79.468 56.356 20.772 1.00 56.42 ? ? ? ? ? ? 567 ASP A CG 1 +ATOM 4402 O OD1 . ASP A 1 567 ? 80.615 56.361 20.275 1.00 57.03 ? ? ? ? ? ? 567 ASP A OD1 1 +ATOM 4403 O OD2 . ASP A 1 567 ? 78.686 55.397 20.610 1.00 55.42 ? ? ? ? ? ? 567 ASP A OD2 1 +ATOM 4404 N N . LYS A 1 568 ? 78.812 60.554 22.488 1.00 60.98 ? ? ? ? ? ? 568 LYS A N 1 +ATOM 4405 C CA . LYS A 1 568 ? 78.250 61.541 23.413 1.00 64.18 ? ? ? ? ? ? 568 LYS A CA 1 +ATOM 4406 C C . LYS A 1 568 ? 76.744 61.729 23.269 1.00 65.15 ? ? ? ? ? ? 568 LYS A C 1 +ATOM 4407 O O . LYS A 1 568 ? 76.235 62.001 22.177 1.00 65.66 ? ? ? ? ? ? 568 LYS A O 1 +ATOM 4408 C CB . LYS A 1 568 ? 78.933 62.918 23.319 1.00 66.33 ? ? ? ? ? ? 568 LYS A CB 1 +ATOM 4409 C CG . LYS A 1 568 ? 78.261 63.972 24.263 1.00 67.62 ? ? ? ? ? ? 568 LYS A CG 1 +ATOM 4410 C CD . LYS A 1 568 ? 78.377 65.418 23.781 1.00 67.05 ? ? ? ? ? ? 568 LYS A CD 1 +ATOM 4411 C CE . LYS A 1 568 ? 79.777 65.949 23.969 1.00 67.33 ? ? ? ? ? ? 568 LYS A CE 1 +ATOM 4412 N NZ . LYS A 1 568 ? 79.896 67.351 23.483 1.00 67.77 ? ? ? ? ? ? 568 LYS A NZ 1 +ATOM 4413 N N . LEU A 1 569 ? 76.043 61.628 24.392 1.00 65.90 ? ? ? ? ? ? 569 LEU A N 1 +ATOM 4414 C CA . LEU A 1 569 ? 74.606 61.807 24.402 1.00 66.47 ? ? ? ? ? ? 569 LEU A CA 1 +ATOM 4415 C C . LEU A 1 569 ? 74.313 63.228 23.955 1.00 67.13 ? ? ? ? ? ? 569 LEU A C 1 +ATOM 4416 O O . LEU A 1 569 ? 74.732 64.194 24.607 1.00 67.78 ? ? ? ? ? ? 569 LEU A O 1 +ATOM 4417 C CB . LEU A 1 569 ? 74.044 61.589 25.806 1.00 65.79 ? ? ? ? ? ? 569 LEU A CB 1 +ATOM 4418 C CG . LEU A 1 569 ? 74.395 60.255 26.443 1.00 65.16 ? ? ? ? ? ? 569 LEU A CG 1 +ATOM 4419 C CD1 . LEU A 1 569 ? 73.645 60.139 27.749 1.00 65.25 ? ? ? ? ? ? 569 LEU A CD1 1 +ATOM 4420 C CD2 . LEU A 1 569 ? 74.051 59.108 25.496 1.00 65.25 ? ? ? ? ? ? 569 LEU A CD2 1 +ATOM 4421 N N . THR A 1 570 ? 73.672 63.346 22.798 1.00 67.09 ? ? ? ? ? ? 570 THR A N 1 +ATOM 4422 C CA . THR A 1 570 ? 73.307 64.649 22.262 1.00 67.04 ? ? ? ? ? ? 570 THR A CA 1 +ATOM 4423 C C . THR A 1 570 ? 71.925 65.053 22.828 1.00 67.84 ? ? ? ? ? ? 570 THR A C 1 +ATOM 4424 O O . THR A 1 570 ? 71.534 64.606 23.915 1.00 67.25 ? ? ? ? ? ? 570 THR A O 1 +ATOM 4425 C CB . THR A 1 570 ? 73.284 64.604 20.711 1.00 65.46 ? ? ? ? ? ? 570 THR A CB 1 +ATOM 4426 O OG1 . THR A 1 570 ? 72.106 63.929 20.266 1.00 63.32 ? ? ? ? ? ? 570 THR A OG1 1 +ATOM 4427 C CG2 . THR A 1 570 ? 74.504 63.850 20.180 1.00 63.81 ? ? ? ? ? ? 570 THR A CG2 1 +ATOM 4428 N N . ASP A 1 571 ? 71.214 65.935 22.125 1.00 68.51 ? ? ? ? ? ? 571 ASP A N 1 +ATOM 4429 C CA . ASP A 1 571 ? 69.875 66.332 22.551 1.00 69.20 ? ? ? ? ? ? 571 ASP A CA 1 +ATOM 4430 C C . ASP A 1 571 ? 68.898 65.402 21.823 1.00 69.67 ? ? ? ? ? ? 571 ASP A C 1 +ATOM 4431 O O . ASP A 1 571 ? 67.732 65.256 22.211 1.00 70.69 ? ? ? ? ? ? 571 ASP A O 1 +ATOM 4432 C CB . ASP A 1 571 ? 69.593 67.798 22.196 1.00 69.60 ? ? ? ? ? ? 571 ASP A CB 1 +ATOM 4433 C CG . ASP A 1 571 ? 69.364 68.017 20.710 1.00 69.58 ? ? ? ? ? ? 571 ASP A CG 1 +ATOM 4434 O OD1 . ASP A 1 571 ? 70.359 68.074 19.955 1.00 68.24 ? ? ? ? ? ? 571 ASP A OD1 1 +ATOM 4435 O OD2 . ASP A 1 571 ? 68.182 68.142 20.307 1.00 70.11 ? ? ? ? ? ? 571 ASP A OD2 1 +ATOM 4436 N N . GLU A 1 572 ? 69.398 64.784 20.755 1.00 68.92 ? ? ? ? ? ? 572 GLU A N 1 +ATOM 4437 C CA . GLU A 1 572 ? 68.622 63.856 19.950 1.00 68.05 ? ? ? ? ? ? 572 GLU A CA 1 +ATOM 4438 C C . GLU A 1 572 ? 68.717 62.425 20.483 1.00 67.00 ? ? ? ? ? ? 572 GLU A C 1 +ATOM 4439 O O . GLU A 1 572 ? 67.766 61.650 20.391 1.00 68.15 ? ? ? ? ? ? 572 GLU A O 1 +ATOM 4440 C CB . GLU A 1 572 ? 69.140 63.871 18.516 1.00 69.17 ? ? ? ? ? ? 572 GLU A CB 1 +ATOM 4441 C CG . GLU A 1 572 ? 68.667 65.038 17.699 1.00 74.00 ? ? ? ? ? ? 572 GLU A CG 1 +ATOM 4442 C CD . GLU A 1 572 ? 67.148 65.042 17.514 1.00 76.30 ? ? ? ? ? ? 572 GLU A CD 1 +ATOM 4443 O OE1 . GLU A 1 572 ? 66.601 64.058 16.947 1.00 75.58 ? ? ? ? ? ? 572 GLU A OE1 1 +ATOM 4444 O OE2 . GLU A 1 572 ? 66.509 66.037 17.939 1.00 77.57 ? ? ? ? ? ? 572 GLU A OE2 1 +ATOM 4445 N N . TYR A 1 573 ? 69.865 62.073 21.054 1.00 63.94 ? ? ? ? ? ? 573 TYR A N 1 +ATOM 4446 C CA . TYR A 1 573 ? 70.070 60.720 21.535 1.00 59.77 ? ? ? ? ? ? 573 TYR A CA 1 +ATOM 4447 C C . TYR A 1 573 ? 70.524 60.718 22.967 1.00 58.18 ? ? ? ? ? ? 573 TYR A C 1 +ATOM 4448 O O . TYR A 1 573 ? 71.576 60.171 23.277 1.00 58.30 ? ? ? ? ? ? 573 TYR A O 1 +ATOM 4449 C CB . TYR A 1 573 ? 71.127 60.007 20.675 1.00 59.09 ? ? ? ? ? ? 573 TYR A CB 1 +ATOM 4450 C CG . TYR A 1 573 ? 71.186 60.528 19.267 1.00 59.10 ? ? ? ? ? ? 573 TYR A CG 1 +ATOM 4451 C CD1 . TYR A 1 573 ? 70.153 60.282 18.377 1.00 59.17 ? ? ? ? ? ? 573 TYR A CD1 1 +ATOM 4452 C CD2 . TYR A 1 573 ? 72.188 61.408 18.877 1.00 60.50 ? ? ? ? ? ? 573 TYR A CD2 1 +ATOM 4453 C CE1 . TYR A 1 573 ? 70.098 60.909 17.144 1.00 59.76 ? ? ? ? ? ? 573 TYR A CE1 1 +ATOM 4454 C CE2 . TYR A 1 573 ? 72.144 62.050 17.642 1.00 60.81 ? ? ? ? ? ? 573 TYR A CE2 1 +ATOM 4455 C CZ . TYR A 1 573 ? 71.087 61.798 16.784 1.00 60.58 ? ? ? ? ? ? 573 TYR A CZ 1 +ATOM 4456 O OH . TYR A 1 573 ? 70.987 62.480 15.592 1.00 61.59 ? ? ? ? ? ? 573 TYR A OH 1 +ATOM 4457 N N . PRO A 1 574 ? 69.759 61.346 23.872 1.00 56.67 ? ? ? ? ? ? 574 PRO A N 1 +ATOM 4458 C CA . PRO A 1 574 ? 70.240 61.306 25.261 1.00 55.57 ? ? ? ? ? ? 574 PRO A CA 1 +ATOM 4459 C C . PRO A 1 574 ? 70.262 59.856 25.762 1.00 54.21 ? ? ? ? ? ? 574 PRO A C 1 +ATOM 4460 O O . PRO A 1 574 ? 70.726 59.563 26.870 1.00 53.36 ? ? ? ? ? ? 574 PRO A O 1 +ATOM 4461 C CB . PRO A 1 574 ? 69.215 62.175 26.011 1.00 55.72 ? ? ? ? ? ? 574 PRO A CB 1 +ATOM 4462 C CG . PRO A 1 574 ? 67.975 62.100 25.151 1.00 55.38 ? ? ? ? ? ? 574 PRO A CG 1 +ATOM 4463 C CD . PRO A 1 574 ? 68.533 62.155 23.752 1.00 55.81 ? ? ? ? ? ? 574 PRO A CD 1 +ATOM 4464 N N . MET A 1 575 ? 69.767 58.962 24.906 1.00 52.66 ? ? ? ? ? ? 575 MET A N 1 +ATOM 4465 C CA . MET A 1 575 ? 69.686 57.541 25.178 1.00 51.43 ? ? ? ? ? ? 575 MET A CA 1 +ATOM 4466 C C . MET A 1 575 ? 70.995 56.754 25.113 1.00 50.15 ? ? ? ? ? ? 575 MET A C 1 +ATOM 4467 O O . MET A 1 575 ? 71.717 56.790 24.115 1.00 51.44 ? ? ? ? ? ? 575 MET A O 1 +ATOM 4468 C CB . MET A 1 575 ? 68.629 56.912 24.271 1.00 50.76 ? ? ? ? ? ? 575 MET A CB 1 +ATOM 4469 C CG . MET A 1 575 ? 67.238 57.098 24.820 1.00 50.69 ? ? ? ? ? ? 575 MET A CG 1 +ATOM 4470 S SD . MET A 1 575 ? 67.238 56.561 26.545 1.00 50.46 ? ? ? ? ? ? 575 MET A SD 1 +ATOM 4471 C CE . MET A 1 575 ? 65.627 57.130 27.108 1.00 52.30 ? ? ? ? ? ? 575 MET A CE 1 +ATOM 4472 N N . VAL A 1 576 ? 71.285 56.042 26.197 1.00 47.35 ? ? ? ? ? ? 576 VAL A N 1 +ATOM 4473 C CA . VAL A 1 576 ? 72.480 55.218 26.308 1.00 45.04 ? ? ? ? ? ? 576 VAL A CA 1 +ATOM 4474 C C . VAL A 1 576 ? 72.089 53.756 26.063 1.00 42.89 ? ? ? ? ? ? 576 VAL A C 1 +ATOM 4475 O O . VAL A 1 576 ? 71.238 53.228 26.772 1.00 43.65 ? ? ? ? ? ? 576 VAL A O 1 +ATOM 4476 C CB . VAL A 1 576 ? 73.078 55.298 27.760 1.00 45.71 ? ? ? ? ? ? 576 VAL A CB 1 +ATOM 4477 C CG1 . VAL A 1 576 ? 74.246 54.325 27.923 1.00 44.30 ? ? ? ? ? ? 576 VAL A CG1 1 +ATOM 4478 C CG2 . VAL A 1 576 ? 73.514 56.711 28.096 1.00 44.58 ? ? ? ? ? ? 576 VAL A CG2 1 +ATOM 4479 N N . LEU A 1 577 ? 72.637 53.114 25.039 1.00 39.73 ? ? ? ? ? ? 577 LEU A N 1 +ATOM 4480 C CA . LEU A 1 577 ? 72.330 51.701 24.838 1.00 36.81 ? ? ? ? ? ? 577 LEU A CA 1 +ATOM 4481 C C . LEU A 1 577 ? 73.403 50.932 25.594 1.00 34.94 ? ? ? ? ? ? 577 LEU A C 1 +ATOM 4482 O O . LEU A 1 577 ? 74.602 51.172 25.414 1.00 35.10 ? ? ? ? ? ? 577 LEU A O 1 +ATOM 4483 C CB . LEU A 1 577 ? 72.363 51.294 23.355 1.00 36.40 ? ? ? ? ? ? 577 LEU A CB 1 +ATOM 4484 C CG . LEU A 1 577 ? 72.329 49.772 23.079 1.00 36.55 ? ? ? ? ? ? 577 LEU A CG 1 +ATOM 4485 C CD1 . LEU A 1 577 ? 70.963 49.211 23.439 1.00 37.81 ? ? ? ? ? ? 577 LEU A CD1 1 +ATOM 4486 C CD2 . LEU A 1 577 ? 72.678 49.420 21.629 1.00 34.20 ? ? ? ? ? ? 577 LEU A CD2 1 +ATOM 4487 N N . SER A 1 578 ? 72.988 50.056 26.487 1.00 32.61 ? ? ? ? ? ? 578 SER A N 1 +ATOM 4488 C CA . SER A 1 578 ? 73.955 49.262 27.218 1.00 31.91 ? ? ? ? ? ? 578 SER A CA 1 +ATOM 4489 C C . SER A 1 578 ? 73.573 47.822 26.942 1.00 31.19 ? ? ? ? ? ? 578 SER A C 1 +ATOM 4490 O O . SER A 1 578 ? 72.508 47.363 27.362 1.00 30.06 ? ? ? ? ? ? 578 SER A O 1 +ATOM 4491 C CB . SER A 1 578 ? 73.887 49.592 28.705 1.00 31.84 ? ? ? ? ? ? 578 SER A CB 1 +ATOM 4492 O OG . SER A 1 578 ? 74.759 48.785 29.465 1.00 32.21 ? ? ? ? ? ? 578 SER A OG 1 +ATOM 4493 N N . THR A 1 579 ? 74.366 47.151 26.114 1.00 31.35 ? ? ? ? ? ? 579 THR A N 1 +ATOM 4494 C CA . THR A 1 579 ? 74.061 45.773 25.784 1.00 31.33 ? ? ? ? ? ? 579 THR A CA 1 +ATOM 4495 C C . THR A 1 579 ? 74.479 44.839 26.902 1.00 32.45 ? ? ? ? ? ? 579 THR A C 1 +ATOM 4496 O O . THR A 1 579 ? 75.535 44.992 27.523 1.00 31.96 ? ? ? ? ? ? 579 THR A O 1 +ATOM 4497 C CB . THR A 1 579 ? 74.638 45.329 24.443 1.00 29.78 ? ? ? ? ? ? 579 THR A CB 1 +ATOM 4498 O OG1 . THR A 1 579 ? 76.059 45.163 24.542 1.00 30.20 ? ? ? ? ? ? 579 THR A OG1 1 +ATOM 4499 C CG2 . THR A 1 579 ? 74.296 46.353 23.385 1.00 28.40 ? ? ? ? ? ? 579 THR A CG2 1 +ATOM 4500 N N . VAL A 1 580 ? 73.608 43.868 27.134 1.00 33.43 ? ? ? ? ? ? 580 VAL A N 1 +ATOM 4501 C CA . VAL A 1 580 ? 73.735 42.886 28.185 1.00 33.40 ? ? ? ? ? ? 580 VAL A CA 1 +ATOM 4502 C C . VAL A 1 580 ? 73.388 41.526 27.547 1.00 32.97 ? ? ? ? ? ? 580 VAL A C 1 +ATOM 4503 O O . VAL A 1 580 ? 73.590 41.325 26.344 1.00 32.38 ? ? ? ? ? ? 580 VAL A O 1 +ATOM 4504 C CB . VAL A 1 580 ? 72.757 43.304 29.343 1.00 32.29 ? ? ? ? ? ? 580 VAL A CB 1 +ATOM 4505 C CG1 . VAL A 1 580 ? 71.311 43.293 28.864 1.00 31.45 ? ? ? ? ? ? 580 VAL A CG1 1 +ATOM 4506 C CG2 . VAL A 1 580 ? 72.952 42.455 30.573 1.00 34.30 ? ? ? ? ? ? 580 VAL A CG2 1 +ATOM 4507 N N . ARG A 1 581 ? 72.888 40.600 28.350 1.00 34.01 ? ? ? ? ? ? 581 ARG A N 1 +ATOM 4508 C CA . ARG A 1 581 ? 72.491 39.273 27.903 1.00 35.42 ? ? ? ? ? ? 581 ARG A CA 1 +ATOM 4509 C C . ARG A 1 581 ? 71.160 38.986 28.609 1.00 36.25 ? ? ? ? ? ? 581 ARG A C 1 +ATOM 4510 O O . ARG A 1 581 ? 70.704 39.793 29.427 1.00 36.73 ? ? ? ? ? ? 581 ARG A O 1 +ATOM 4511 C CB . ARG A 1 581 ? 73.557 38.234 28.301 1.00 35.41 ? ? ? ? ? ? 581 ARG A CB 1 +ATOM 4512 C CG . ARG A 1 581 ? 73.915 38.202 29.799 1.00 36.63 ? ? ? ? ? ? 581 ARG A CG 1 +ATOM 4513 C CD . ARG A 1 581 ? 75.421 37.976 30.029 1.00 37.12 ? ? ? ? ? ? 581 ARG A CD 1 +ATOM 4514 N NE . ARG A 1 581 ? 76.254 39.036 29.448 1.00 38.30 ? ? ? ? ? ? 581 ARG A NE 1 +ATOM 4515 C CZ . ARG A 1 581 ? 77.138 38.860 28.465 1.00 39.38 ? ? ? ? ? ? 581 ARG A CZ 1 +ATOM 4516 N NH1 . ARG A 1 581 ? 77.343 37.660 27.931 1.00 40.09 ? ? ? ? ? ? 581 ARG A NH1 1 +ATOM 4517 N NH2 . ARG A 1 581 ? 77.778 39.899 27.963 1.00 39.83 ? ? ? ? ? ? 581 ARG A NH2 1 +ATOM 4518 N N . GLU A 1 582 ? 70.498 37.894 28.247 1.00 36.96 ? ? ? ? ? ? 582 GLU A N 1 +ATOM 4519 C CA . GLU A 1 582 ? 69.241 37.538 28.900 1.00 36.49 ? ? ? ? ? ? 582 GLU A CA 1 +ATOM 4520 C C . GLU A 1 582 ? 69.332 36.093 29.373 1.00 35.03 ? ? ? ? ? ? 582 GLU A C 1 +ATOM 4521 O O . GLU A 1 582 ? 70.216 35.355 28.935 1.00 34.78 ? ? ? ? ? ? 582 GLU A O 1 +ATOM 4522 C CB . GLU A 1 582 ? 68.054 37.743 27.949 1.00 38.00 ? ? ? ? ? ? 582 GLU A CB 1 +ATOM 4523 C CG . GLU A 1 582 ? 67.662 36.546 27.106 1.00 41.14 ? ? ? ? ? ? 582 GLU A CG 1 +ATOM 4524 C CD . GLU A 1 582 ? 66.769 36.918 25.938 1.00 43.73 ? ? ? ? ? ? 582 GLU A CD 1 +ATOM 4525 O OE1 . GLU A 1 582 ? 66.949 38.017 25.364 1.00 44.32 ? ? ? ? ? ? 582 GLU A OE1 1 +ATOM 4526 O OE2 . GLU A 1 582 ? 65.883 36.106 25.589 1.00 45.09 ? ? ? ? ? ? 582 GLU A OE2 1 +ATOM 4527 N N . VAL A 1 583 ? 68.469 35.706 30.303 1.00 33.54 ? ? ? ? ? ? 583 VAL A N 1 +ATOM 4528 C CA . VAL A 1 583 ? 68.465 34.334 30.798 1.00 33.31 ? ? ? ? ? ? 583 VAL A CA 1 +ATOM 4529 C C . VAL A 1 583 ? 67.682 33.490 29.812 1.00 33.15 ? ? ? ? ? ? 583 VAL A C 1 +ATOM 4530 O O . VAL A 1 583 ? 67.032 34.025 28.919 1.00 35.91 ? ? ? ? ? ? 583 VAL A O 1 +ATOM 4531 C CB . VAL A 1 583 ? 67.754 34.209 32.134 1.00 34.00 ? ? ? ? ? ? 583 VAL A CB 1 +ATOM 4532 C CG1 . VAL A 1 583 ? 68.382 33.069 32.957 1.00 35.09 ? ? ? ? ? ? 583 VAL A CG1 1 +ATOM 4533 C CG2 . VAL A 1 583 ? 67.772 35.531 32.876 1.00 35.47 ? ? ? ? ? ? 583 VAL A CG2 1 +ATOM 4534 N N . GLY A 1 584 ? 67.761 32.173 29.928 1.00 32.23 ? ? ? ? ? ? 584 GLY A N 1 +ATOM 4535 C CA . GLY A 1 584 ? 66.998 31.337 29.014 1.00 30.66 ? ? ? ? ? ? 584 GLY A CA 1 +ATOM 4536 C C . GLY A 1 584 ? 67.561 31.302 27.613 1.00 30.10 ? ? ? ? ? ? 584 GLY A C 1 +ATOM 4537 O O . GLY A 1 584 ? 67.150 30.478 26.806 1.00 31.07 ? ? ? ? ? ? 584 GLY A O 1 +ATOM 4538 N N . HIS A 1 585 ? 68.443 32.239 27.291 1.00 29.43 ? ? ? ? ? ? 585 HIS A N 1 +ATOM 4539 C CA . HIS A 1 585 ? 69.089 32.270 25.994 1.00 30.00 ? ? ? ? ? ? 585 HIS A CA 1 +ATOM 4540 C C . HIS A 1 585 ? 70.561 32.580 26.213 1.00 29.33 ? ? ? ? ? ? 585 HIS A C 1 +ATOM 4541 O O . HIS A 1 585 ? 70.898 33.484 26.973 1.00 29.86 ? ? ? ? ? ? 585 HIS A O 1 +ATOM 4542 C CB . HIS A 1 585 ? 68.381 33.246 25.064 1.00 32.78 ? ? ? ? ? ? 585 HIS A CB 1 +ATOM 4543 C CG . HIS A 1 585 ? 67.044 32.744 24.619 1.00 36.62 ? ? ? ? ? ? 585 HIS A CG 1 +ATOM 4544 N ND1 . HIS A 1 585 ? 66.905 31.760 23.663 1.00 37.97 ? ? ? ? ? ? 585 HIS A ND1 1 +ATOM 4545 C CD2 . HIS A 1 585 ? 65.800 32.974 25.104 1.00 38.39 ? ? ? ? ? ? 585 HIS A CD2 1 +ATOM 4546 C CE1 . HIS A 1 585 ? 65.637 31.392 23.590 1.00 39.71 ? ? ? ? ? ? 585 HIS A CE1 1 +ATOM 4547 N NE2 . HIS A 1 585 ? 64.947 32.112 24.454 1.00 40.22 ? ? ? ? ? ? 585 HIS A NE2 1 +ATOM 4548 N N . TYR A 1 586 ? 71.442 31.800 25.594 1.00 28.38 ? ? ? ? ? ? 586 TYR A N 1 +ATOM 4549 C CA . TYR A 1 586 ? 72.876 31.981 25.813 1.00 28.48 ? ? ? ? ? ? 586 TYR A CA 1 +ATOM 4550 C C . TYR A 1 586 ? 73.736 32.371 24.598 1.00 29.02 ? ? ? ? ? ? 586 TYR A C 1 +ATOM 4551 O O . TYR A 1 586 ? 73.919 31.567 23.675 1.00 30.78 ? ? ? ? ? ? 586 TYR A O 1 +ATOM 4552 C CB . TYR A 1 586 ? 73.435 30.707 26.465 1.00 26.66 ? ? ? ? ? ? 586 TYR A CB 1 +ATOM 4553 C CG . TYR A 1 586 ? 74.836 30.863 26.957 1.00 26.27 ? ? ? ? ? ? 586 TYR A CG 1 +ATOM 4554 C CD1 . TYR A 1 586 ? 75.918 30.717 26.088 1.00 25.21 ? ? ? ? ? ? 586 TYR A CD1 1 +ATOM 4555 C CD2 . TYR A 1 586 ? 75.095 31.220 28.281 1.00 26.44 ? ? ? ? ? ? 586 TYR A CD2 1 +ATOM 4556 C CE1 . TYR A 1 586 ? 77.226 30.933 26.518 1.00 24.46 ? ? ? ? ? ? 586 TYR A CE1 1 +ATOM 4557 C CE2 . TYR A 1 586 ? 76.414 31.435 28.725 1.00 26.25 ? ? ? ? ? ? 586 TYR A CE2 1 +ATOM 4558 C CZ . TYR A 1 586 ? 77.464 31.292 27.825 1.00 25.11 ? ? ? ? ? ? 586 TYR A CZ 1 +ATOM 4559 O OH . TYR A 1 586 ? 78.748 31.549 28.220 1.00 27.61 ? ? ? ? ? ? 586 TYR A OH 1 +ATOM 4560 N N . SER A 1 587 ? 74.293 33.582 24.624 1.00 28.00 ? ? ? ? ? ? 587 SER A N 1 +ATOM 4561 C CA . SER A 1 587 ? 75.155 34.084 23.549 1.00 27.37 ? ? ? ? ? ? 587 SER A CA 1 +ATOM 4562 C C . SER A 1 587 ? 74.538 33.964 22.144 1.00 27.25 ? ? ? ? ? ? 587 SER A C 1 +ATOM 4563 O O . SER A 1 587 ? 73.486 34.519 21.868 1.00 27.86 ? ? ? ? ? ? 587 SER A O 1 +ATOM 4564 C CB . SER A 1 587 ? 76.516 33.375 23.599 1.00 25.80 ? ? ? ? ? ? 587 SER A CB 1 +ATOM 4565 O OG . SER A 1 587 ? 77.177 33.597 24.826 1.00 24.73 ? ? ? ? ? ? 587 SER A OG 1 +ATOM 4566 N N . CYS A 1 588 ? 75.236 33.261 21.262 1.00 28.37 ? ? ? ? ? ? 588 CYS A N 1 +ATOM 4567 C CA . CYS A 1 588 ? 74.833 32.994 19.883 1.00 29.47 ? ? ? ? ? ? 588 CYS A CA 1 +ATOM 4568 C C . CYS A 1 588 ? 73.381 32.522 19.742 1.00 28.46 ? ? ? ? ? ? 588 CYS A C 1 +ATOM 4569 O O . CYS A 1 588 ? 72.773 32.678 18.683 1.00 28.89 ? ? ? ? ? ? 588 CYS A O 1 +ATOM 4570 C CB . CYS A 1 588 ? 75.692 31.852 19.365 1.00 30.45 ? ? ? ? ? ? 588 CYS A CB 1 +ATOM 4571 S SG . CYS A 1 588 ? 76.302 32.016 17.750 1.00 35.11 ? ? ? ? ? ? 588 CYS A SG 1 +ATOM 4572 N N . ARG A 1 589 ? 72.892 31.819 20.755 1.00 26.18 ? ? ? ? ? ? 589 ARG A N 1 +ATOM 4573 C CA . ARG A 1 589 ? 71.545 31.286 20.730 1.00 25.85 ? ? ? ? ? ? 589 ARG A CA 1 +ATOM 4574 C C . ARG A 1 589 ? 71.448 30.203 19.648 1.00 25.79 ? ? ? ? ? ? 589 ARG A C 1 +ATOM 4575 O O . ARG A 1 589 ? 70.360 29.824 19.224 1.00 25.82 ? ? ? ? ? ? 589 ARG A O 1 +ATOM 4576 C CB . ARG A 1 589 ? 70.537 32.401 20.479 1.00 25.93 ? ? ? ? ? ? 589 ARG A CB 1 +ATOM 4577 C CG . ARG A 1 589 ? 69.155 32.120 21.040 1.00 26.63 ? ? ? ? ? ? 589 ARG A CG 1 +ATOM 4578 C CD . ARG A 1 589 ? 68.264 33.307 20.848 1.00 26.62 ? ? ? ? ? ? 589 ARG A CD 1 +ATOM 4579 N NE . ARG A 1 589 ? 68.327 33.740 19.461 1.00 27.02 ? ? ? ? ? ? 589 ARG A NE 1 +ATOM 4580 C CZ . ARG A 1 589 ? 67.430 33.429 18.540 1.00 29.18 ? ? ? ? ? ? 589 ARG A CZ 1 +ATOM 4581 N NH1 . ARG A 1 589 ? 66.377 32.673 18.846 1.00 30.08 ? ? ? ? ? ? 589 ARG A NH1 1 +ATOM 4582 N NH2 . ARG A 1 589 ? 67.587 33.890 17.307 1.00 31.63 ? ? ? ? ? ? 589 ARG A NH2 1 +ATOM 4583 N N . SER A 1 590 ? 72.608 29.659 19.287 1.00 25.46 ? ? ? ? ? ? 590 SER A N 1 +ATOM 4584 C CA . SER A 1 590 ? 72.776 28.614 18.278 1.00 24.52 ? ? ? ? ? ? 590 SER A CA 1 +ATOM 4585 C C . SER A 1 590 ? 72.372 27.264 18.874 1.00 24.38 ? ? ? ? ? ? 590 SER A C 1 +ATOM 4586 O O . SER A 1 590 ? 71.847 26.359 18.200 1.00 23.24 ? ? ? ? ? ? 590 SER A O 1 +ATOM 4587 C CB . SER A 1 590 ? 74.255 28.562 17.921 1.00 25.21 ? ? ? ? ? ? 590 SER A CB 1 +ATOM 4588 O OG . SER A 1 590 ? 74.458 28.204 16.575 1.00 29.39 ? ? ? ? ? ? 590 SER A OG 1 +ATOM 4589 N N . MET A 1 591 ? 72.707 27.113 20.146 1.00 23.45 ? ? ? ? ? ? 591 MET A N 1 +ATOM 4590 C CA . MET A 1 591 ? 72.402 25.907 20.868 1.00 21.93 ? ? ? ? ? ? 591 MET A CA 1 +ATOM 4591 C C . MET A 1 591 ? 71.060 26.173 21.487 1.00 22.34 ? ? ? ? ? ? 591 MET A C 1 +ATOM 4592 O O . MET A 1 591 ? 70.071 25.568 21.103 1.00 24.79 ? ? ? ? ? ? 591 MET A O 1 +ATOM 4593 C CB . MET A 1 591 ? 73.473 25.665 21.934 1.00 21.43 ? ? ? ? ? ? 591 MET A CB 1 +ATOM 4594 C CG . MET A 1 591 ? 74.819 25.217 21.349 1.00 19.26 ? ? ? ? ? ? 591 MET A CG 1 +ATOM 4595 S SD . MET A 1 591 ? 76.179 25.300 22.505 1.00 19.24 ? ? ? ? ? ? 591 MET A SD 1 +ATOM 4596 C CE . MET A 1 591 ? 76.143 23.711 23.241 1.00 19.16 ? ? ? ? ? ? 591 MET A CE 1 +ATOM 4597 N N . THR A 1 592 ? 71.009 27.215 22.304 1.00 21.90 ? ? ? ? ? ? 592 THR A N 1 +ATOM 4598 C CA . THR A 1 592 ? 69.801 27.610 23.013 1.00 20.43 ? ? ? ? ? ? 592 THR A CA 1 +ATOM 4599 C C . THR A 1 592 ? 68.586 27.849 22.125 1.00 18.88 ? ? ? ? ? ? 592 THR A C 1 +ATOM 4600 O O . THR A 1 592 ? 67.497 27.355 22.405 1.00 18.59 ? ? ? ? ? ? 592 THR A O 1 +ATOM 4601 C CB . THR A 1 592 ? 70.113 28.810 23.958 1.00 20.90 ? ? ? ? ? ? 592 THR A CB 1 +ATOM 4602 O OG1 . THR A 1 592 ? 70.294 28.331 25.297 1.00 22.20 ? ? ? ? ? ? 592 THR A OG1 1 +ATOM 4603 C CG2 . THR A 1 592 ? 69.015 29.799 23.965 1.00 22.26 ? ? ? ? ? ? 592 THR A CG2 1 +ATOM 4604 N N . GLY A 1 593 ? 68.774 28.568 21.034 1.00 18.51 ? ? ? ? ? ? 593 GLY A N 1 +ATOM 4605 C CA . GLY A 1 593 ? 67.659 28.824 20.148 1.00 19.12 ? ? ? ? ? ? 593 GLY A CA 1 +ATOM 4606 C C . GLY A 1 593 ? 67.161 27.566 19.458 1.00 19.98 ? ? ? ? ? ? 593 GLY A C 1 +ATOM 4607 O O . GLY A 1 593 ? 66.054 27.560 18.963 1.00 22.03 ? ? ? ? ? ? 593 GLY A O 1 +ATOM 4608 N N . ASN A 1 594 ? 67.971 26.509 19.396 1.00 20.49 ? ? ? ? ? ? 594 ASN A N 1 +ATOM 4609 C CA . ASN A 1 594 ? 67.558 25.261 18.746 1.00 19.20 ? ? ? ? ? ? 594 ASN A CA 1 +ATOM 4610 C C . ASN A 1 594 ? 67.014 24.284 19.789 1.00 18.58 ? ? ? ? ? ? 594 ASN A C 1 +ATOM 4611 O O . ASN A 1 594 ? 66.871 23.096 19.531 1.00 18.42 ? ? ? ? ? ? 594 ASN A O 1 +ATOM 4612 C CB . ASN A 1 594 ? 68.717 24.636 17.940 1.00 19.84 ? ? ? ? ? ? 594 ASN A CB 1 +ATOM 4613 C CG . ASN A 1 594 ? 68.910 25.284 16.546 1.00 21.19 ? ? ? ? ? ? 594 ASN A CG 1 +ATOM 4614 O OD1 . ASN A 1 594 ? 67.957 25.437 15.783 1.00 21.41 ? ? ? ? ? ? 594 ASN A OD1 1 +ATOM 4615 N ND2 . ASN A 1 594 ? 70.147 25.649 16.217 1.00 20.01 ? ? ? ? ? ? 594 ASN A ND2 1 +ATOM 4616 N N . CYS A 1 595 ? 66.707 24.799 20.975 1.00 18.27 ? ? ? ? ? ? 595 CYS A N 1 +ATOM 4617 C CA . CYS A 1 595 ? 66.145 23.989 22.052 1.00 16.53 ? ? ? ? ? ? 595 CYS A CA 1 +ATOM 4618 C C . CYS A 1 595 ? 64.654 24.299 22.239 1.00 18.19 ? ? ? ? ? ? 595 CYS A C 1 +ATOM 4619 O O . CYS A 1 595 ? 64.283 25.401 22.656 1.00 17.17 ? ? ? ? ? ? 595 CYS A O 1 +ATOM 4620 C CB . CYS A 1 595 ? 66.882 24.236 23.361 1.00 14.58 ? ? ? ? ? ? 595 CYS A CB 1 +ATOM 4621 S SG . CYS A 1 595 ? 68.403 23.336 23.525 1.00 9.76 ? ? ? ? ? ? 595 CYS A SG 1 +ATOM 4622 N N . ALA A 1 596 ? 63.820 23.294 21.955 1.00 19.96 ? ? ? ? ? ? 596 ALA A N 1 +ATOM 4623 C CA . ALA A 1 596 ? 62.362 23.350 22.052 1.00 18.88 ? ? ? ? ? ? 596 ALA A CA 1 +ATOM 4624 C C . ALA A 1 596 ? 61.800 24.178 23.208 1.00 20.02 ? ? ? ? ? ? 596 ALA A C 1 +ATOM 4625 O O . ALA A 1 596 ? 61.115 25.166 22.975 1.00 21.42 ? ? ? ? ? ? 596 ALA A O 1 +ATOM 4626 C CB . ALA A 1 596 ? 61.824 21.964 22.124 1.00 18.85 ? ? ? ? ? ? 596 ALA A CB 1 +ATOM 4627 N N . ALA A 1 597 ? 62.086 23.807 24.454 1.00 19.41 ? ? ? ? ? ? 597 ALA A N 1 +ATOM 4628 C CA . ALA A 1 597 ? 61.536 24.581 25.562 1.00 18.84 ? ? ? ? ? ? 597 ALA A CA 1 +ATOM 4629 C C . ALA A 1 597 ? 62.079 26.014 25.734 1.00 19.36 ? ? ? ? ? ? 597 ALA A C 1 +ATOM 4630 O O . ALA A 1 597 ? 61.318 26.915 26.068 1.00 21.52 ? ? ? ? ? ? 597 ALA A O 1 +ATOM 4631 C CB . ALA A 1 597 ? 61.628 23.808 26.846 1.00 18.61 ? ? ? ? ? ? 597 ALA A CB 1 +ATOM 4632 N N . LEU A 1 598 ? 63.363 26.251 25.486 1.00 18.19 ? ? ? ? ? ? 598 LEU A N 1 +ATOM 4633 C CA . LEU A 1 598 ? 63.904 27.608 25.641 1.00 18.18 ? ? ? ? ? ? 598 LEU A CA 1 +ATOM 4634 C C . LEU A 1 598 ? 63.460 28.514 24.485 1.00 18.50 ? ? ? ? ? ? 598 LEU A C 1 +ATOM 4635 O O . LEU A 1 598 ? 63.264 29.724 24.652 1.00 18.83 ? ? ? ? ? ? 598 LEU A O 1 +ATOM 4636 C CB . LEU A 1 598 ? 65.438 27.603 25.701 1.00 16.28 ? ? ? ? ? ? 598 LEU A CB 1 +ATOM 4637 C CG . LEU A 1 598 ? 66.181 26.743 26.713 1.00 15.70 ? ? ? ? ? ? 598 LEU A CG 1 +ATOM 4638 C CD1 . LEU A 1 598 ? 67.660 27.010 26.531 1.00 15.89 ? ? ? ? ? ? 598 LEU A CD1 1 +ATOM 4639 C CD2 . LEU A 1 598 ? 65.733 26.999 28.162 1.00 15.12 ? ? ? ? ? ? 598 LEU A CD2 1 +ATOM 4640 N N . ALA A 1 599 ? 63.353 27.922 23.302 1.00 18.29 ? ? ? ? ? ? 599 ALA A N 1 +ATOM 4641 C CA . ALA A 1 599 ? 62.944 28.634 22.108 1.00 17.94 ? ? ? ? ? ? 599 ALA A CA 1 +ATOM 4642 C C . ALA A 1 599 ? 61.537 29.187 22.349 1.00 19.74 ? ? ? ? ? ? 599 ALA A C 1 +ATOM 4643 O O . ALA A 1 599 ? 61.238 30.351 22.037 1.00 18.55 ? ? ? ? ? ? 599 ALA A O 1 +ATOM 4644 C CB . ALA A 1 599 ? 62.964 27.686 20.919 1.00 14.82 ? ? ? ? ? ? 599 ALA A CB 1 +ATOM 4645 N N . ALA A 1 600 ? 60.724 28.375 23.024 1.00 20.96 ? ? ? ? ? ? 600 ALA A N 1 +ATOM 4646 C CA . ALA A 1 600 ? 59.343 28.716 23.357 1.00 21.89 ? ? ? ? ? ? 600 ALA A CA 1 +ATOM 4647 C C . ALA A 1 600 ? 59.121 29.864 24.372 1.00 21.54 ? ? ? ? ? ? 600 ALA A C 1 +ATOM 4648 O O . ALA A 1 600 ? 57.985 30.267 24.580 1.00 20.90 ? ? ? ? ? ? 600 ALA A O 1 +ATOM 4649 C CB . ALA A 1 600 ? 58.602 27.455 23.820 1.00 22.57 ? ? ? ? ? ? 600 ALA A CB 1 +ATOM 4650 N N . LEU A 1 601 ? 60.170 30.355 25.032 1.00 20.85 ? ? ? ? ? ? 601 LEU A N 1 +ATOM 4651 C CA . LEU A 1 601 ? 60.004 31.462 25.989 1.00 20.78 ? ? ? ? ? ? 601 LEU A CA 1 +ATOM 4652 C C . LEU A 1 601 ? 60.483 32.783 25.379 1.00 21.19 ? ? ? ? ? ? 601 LEU A C 1 +ATOM 4653 O O . LEU A 1 601 ? 60.230 33.881 25.923 1.00 19.60 ? ? ? ? ? ? 601 LEU A O 1 +ATOM 4654 C CB . LEU A 1 601 ? 60.808 31.220 27.268 1.00 19.05 ? ? ? ? ? ? 601 LEU A CB 1 +ATOM 4655 C CG . LEU A 1 601 ? 60.635 29.951 28.079 1.00 18.58 ? ? ? ? ? ? 601 LEU A CG 1 +ATOM 4656 C CD1 . LEU A 1 601 ? 61.842 29.807 28.948 1.00 19.23 ? ? ? ? ? ? 601 LEU A CD1 1 +ATOM 4657 C CD2 . LEU A 1 601 ? 59.391 29.982 28.915 1.00 18.12 ? ? ? ? ? ? 601 LEU A CD2 1 +ATOM 4658 N N . ALA A 1 602 ? 61.228 32.669 24.281 1.00 21.72 ? ? ? ? ? ? 602 ALA A N 1 +ATOM 4659 C CA . ALA A 1 602 ? 61.756 33.846 23.620 1.00 21.48 ? ? ? ? ? ? 602 ALA A CA 1 +ATOM 4660 C C . ALA A 1 602 ? 62.314 33.612 22.225 1.00 22.46 ? ? ? ? ? ? 602 ALA A C 1 +ATOM 4661 O O . ALA A 1 602 ? 63.201 32.785 22.017 1.00 20.50 ? ? ? ? ? ? 602 ALA A O 1 +ATOM 4662 C CB . ALA A 1 602 ? 62.802 34.462 24.483 1.00 22.12 ? ? ? ? ? ? 602 ALA A CB 1 +ATOM 4663 N N . ASP A 1 603 ? 61.749 34.329 21.265 1.00 25.37 ? ? ? ? ? ? 603 ASP A N 1 +ATOM 4664 C CA . ASP A 1 603 ? 62.222 34.275 19.896 1.00 28.77 ? ? ? ? ? ? 603 ASP A CA 1 +ATOM 4665 C C . ASP A 1 603 ? 62.467 35.729 19.427 1.00 31.08 ? ? ? ? ? ? 603 ASP A C 1 +ATOM 4666 O O . ASP A 1 603 ? 62.545 36.664 20.256 1.00 31.08 ? ? ? ? ? ? 603 ASP A O 1 +ATOM 4667 C CB . ASP A 1 603 ? 61.248 33.534 18.980 1.00 30.09 ? ? ? ? ? ? 603 ASP A CB 1 +ATOM 4668 C CG . ASP A 1 603 ? 61.964 32.783 17.844 1.00 30.59 ? ? ? ? ? ? 603 ASP A CG 1 +ATOM 4669 O OD1 . ASP A 1 603 ? 63.040 33.250 17.404 1.00 30.26 ? ? ? ? ? ? 603 ASP A OD1 1 +ATOM 4670 O OD2 . ASP A 1 603 ? 61.464 31.719 17.407 1.00 30.16 ? ? ? ? ? ? 603 ASP A OD2 1 +ATOM 4671 N N . GLU A 1 604 ? 62.632 35.909 18.118 1.00 31.68 ? ? ? ? ? ? 604 GLU A N 1 +ATOM 4672 C CA . GLU A 1 604 ? 62.917 37.209 17.524 1.00 31.36 ? ? ? ? ? ? 604 GLU A CA 1 +ATOM 4673 C C . GLU A 1 604 ? 61.788 38.210 17.700 1.00 32.35 ? ? ? ? ? ? 604 GLU A C 1 +ATOM 4674 O O . GLU A 1 604 ? 60.616 37.808 17.792 1.00 33.43 ? ? ? ? ? ? 604 GLU A O 1 +ATOM 4675 C CB . GLU A 1 604 ? 63.226 37.015 16.056 1.00 30.42 ? ? ? ? ? ? 604 GLU A CB 1 +ATOM 4676 C CG . GLU A 1 604 ? 64.361 36.048 15.845 1.00 32.32 ? ? ? ? ? ? 604 GLU A CG 1 +ATOM 4677 C CD . GLU A 1 604 ? 65.717 36.624 16.202 1.00 33.77 ? ? ? ? ? ? 604 GLU A CD 1 +ATOM 4678 O OE1 . GLU A 1 604 ? 65.785 37.767 16.693 1.00 34.70 ? ? ? ? ? ? 604 GLU A OE1 1 +ATOM 4679 O OE2 . GLU A 1 604 ? 66.733 35.941 15.961 1.00 35.45 ? ? ? ? ? ? 604 GLU A OE2 1 +ATOM 4680 N N . PRO A 1 605 ? 62.112 39.525 17.681 1.00 31.80 ? ? ? ? ? ? 605 PRO A N 1 +ATOM 4681 C CA . PRO A 1 605 ? 63.435 40.151 17.510 1.00 31.71 ? ? ? ? ? ? 605 PRO A CA 1 +ATOM 4682 C C . PRO A 1 605 ? 64.261 40.373 18.786 1.00 31.49 ? ? ? ? ? ? 605 PRO A C 1 +ATOM 4683 O O . PRO A 1 605 ? 65.477 40.543 18.726 1.00 32.79 ? ? ? ? ? ? 605 PRO A O 1 +ATOM 4684 C CB . PRO A 1 605 ? 63.106 41.509 16.884 1.00 30.82 ? ? ? ? ? ? 605 PRO A CB 1 +ATOM 4685 C CG . PRO A 1 605 ? 61.581 41.529 16.742 1.00 31.17 ? ? ? ? ? ? 605 PRO A CG 1 +ATOM 4686 C CD . PRO A 1 605 ? 61.077 40.567 17.743 1.00 31.17 ? ? ? ? ? ? 605 PRO A CD 1 +ATOM 4687 N N . GLY A 1 606 ? 63.596 40.409 19.929 1.00 30.34 ? ? ? ? ? ? 606 GLY A N 1 +ATOM 4688 C CA . GLY A 1 606 ? 64.290 40.650 21.177 1.00 28.41 ? ? ? ? ? ? 606 GLY A CA 1 +ATOM 4689 C C . GLY A 1 606 ? 63.561 41.790 21.847 1.00 27.50 ? ? ? ? ? ? 606 GLY A C 1 +ATOM 4690 O O . GLY A 1 606 ? 62.586 42.285 21.289 1.00 28.31 ? ? ? ? ? ? 606 GLY A O 1 +ATOM 4691 N N . TYR A 1 607 ? 64.020 42.206 23.024 1.00 26.90 ? ? ? ? ? ? 607 TYR A N 1 +ATOM 4692 C CA . TYR A 1 607 ? 63.399 43.293 23.774 1.00 26.53 ? ? ? ? ? ? 607 TYR A CA 1 +ATOM 4693 C C . TYR A 1 607 ? 64.391 44.374 24.089 1.00 27.53 ? ? ? ? ? ? 607 TYR A C 1 +ATOM 4694 O O . TYR A 1 607 ? 65.563 44.099 24.321 1.00 27.24 ? ? ? ? ? ? 607 TYR A O 1 +ATOM 4695 C CB . TYR A 1 607 ? 62.857 42.805 25.117 1.00 25.64 ? ? ? ? ? ? 607 TYR A CB 1 +ATOM 4696 C CG . TYR A 1 607 ? 61.499 42.167 25.080 1.00 24.41 ? ? ? ? ? ? 607 TYR A CG 1 +ATOM 4697 C CD1 . TYR A 1 607 ? 60.347 42.950 25.087 1.00 25.14 ? ? ? ? ? ? 607 TYR A CD1 1 +ATOM 4698 C CD2 . TYR A 1 607 ? 61.359 40.788 25.119 1.00 21.21 ? ? ? ? ? ? 607 TYR A CD2 1 +ATOM 4699 C CE1 . TYR A 1 607 ? 59.088 42.372 25.145 1.00 24.16 ? ? ? ? ? ? 607 TYR A CE1 1 +ATOM 4700 C CE2 . TYR A 1 607 ? 60.118 40.205 25.176 1.00 20.85 ? ? ? ? ? ? 607 TYR A CE2 1 +ATOM 4701 C CZ . TYR A 1 607 ? 58.981 40.995 25.196 1.00 22.78 ? ? ? ? ? ? 607 TYR A CZ 1 +ATOM 4702 O OH . TYR A 1 607 ? 57.738 40.405 25.307 1.00 22.49 ? ? ? ? ? ? 607 TYR A OH 1 +ATOM 4703 N N . ALA A 1 608 ? 63.897 45.602 24.151 1.00 30.05 ? ? ? ? ? ? 608 ALA A N 1 +ATOM 4704 C CA . ALA A 1 608 ? 64.716 46.752 24.499 1.00 31.71 ? ? ? ? ? ? 608 ALA A CA 1 +ATOM 4705 C C . ALA A 1 608 ? 64.100 47.260 25.803 1.00 32.55 ? ? ? ? ? ? 608 ALA A C 1 +ATOM 4706 O O . ALA A 1 608 ? 62.908 47.596 25.843 1.00 32.54 ? ? ? ? ? ? 608 ALA A O 1 +ATOM 4707 C CB . ALA A 1 608 ? 64.644 47.817 23.403 1.00 31.78 ? ? ? ? ? ? 608 ALA A CB 1 +ATOM 4708 N N . GLN A 1 609 ? 64.880 47.192 26.881 1.00 33.33 ? ? ? ? ? ? 609 GLN A N 1 +ATOM 4709 C CA . GLN A 1 609 ? 64.443 47.635 28.203 1.00 33.96 ? ? ? ? ? ? 609 GLN A CA 1 +ATOM 4710 C C . GLN A 1 609 ? 64.344 49.151 28.235 1.00 34.35 ? ? ? ? ? ? 609 GLN A C 1 +ATOM 4711 O O . GLN A 1 609 ? 65.363 49.839 28.265 1.00 32.82 ? ? ? ? ? ? 609 GLN A O 1 +ATOM 4712 C CB . GLN A 1 609 ? 65.439 47.200 29.269 1.00 34.60 ? ? ? ? ? ? 609 GLN A CB 1 +ATOM 4713 C CG . GLN A 1 609 ? 65.460 45.734 29.583 1.00 35.10 ? ? ? ? ? ? 609 GLN A CG 1 +ATOM 4714 C CD . GLN A 1 609 ? 66.338 45.449 30.787 1.00 35.93 ? ? ? ? ? ? 609 GLN A CD 1 +ATOM 4715 O OE1 . GLN A 1 609 ? 67.456 44.963 30.648 1.00 38.38 ? ? ? ? ? ? 609 GLN A OE1 1 +ATOM 4716 N NE2 . GLN A 1 609 ? 65.848 45.784 31.976 1.00 35.34 ? ? ? ? ? ? 609 GLN A NE2 1 +ATOM 4717 N N . ILE A 1 610 ? 63.116 49.660 28.262 1.00 35.81 ? ? ? ? ? ? 610 ILE A N 1 +ATOM 4718 C CA . ILE A 1 610 ? 62.887 51.096 28.264 1.00 36.89 ? ? ? ? ? ? 610 ILE A CA 1 +ATOM 4719 C C . ILE A 1 610 ? 62.280 51.513 29.599 1.00 39.17 ? ? ? ? ? ? 610 ILE A C 1 +ATOM 4720 O O . ILE A 1 610 ? 61.476 50.784 30.186 1.00 39.30 ? ? ? ? ? ? 610 ILE A O 1 +ATOM 4721 C CB . ILE A 1 610 ? 62.027 51.539 27.029 1.00 35.53 ? ? ? ? ? ? 610 ILE A CB 1 +ATOM 4722 C CG1 . ILE A 1 610 ? 62.609 50.908 25.749 1.00 33.30 ? ? ? ? ? ? 610 ILE A CG1 1 +ATOM 4723 C CG2 . ILE A 1 610 ? 62.066 53.063 26.864 1.00 33.98 ? ? ? ? ? ? 610 ILE A CG2 1 +ATOM 4724 C CD1 . ILE A 1 610 ? 62.039 51.410 24.459 1.00 30.26 ? ? ? ? ? ? 610 ILE A CD1 1 +ATOM 4725 N N . ASN A 1 611 ? 62.736 52.653 30.107 1.00 41.11 ? ? ? ? ? ? 611 ASN A N 1 +ATOM 4726 C CA . ASN A 1 611 ? 62.296 53.171 31.389 1.00 44.58 ? ? ? ? ? ? 611 ASN A CA 1 +ATOM 4727 C C . ASN A 1 611 ? 60.859 53.663 31.432 1.00 48.53 ? ? ? ? ? ? 611 ASN A C 1 +ATOM 4728 O O . ASN A 1 611 ? 60.444 54.442 30.576 1.00 49.37 ? ? ? ? ? ? 611 ASN A O 1 +ATOM 4729 C CB . ASN A 1 611 ? 63.223 54.290 31.824 1.00 43.16 ? ? ? ? ? ? 611 ASN A CB 1 +ATOM 4730 C CG . ASN A 1 611 ? 62.737 54.983 33.059 1.00 42.25 ? ? ? ? ? ? 611 ASN A CG 1 +ATOM 4731 O OD1 . ASN A 1 611 ? 62.071 56.015 32.988 1.00 41.64 ? ? ? ? ? ? 611 ASN A OD1 1 +ATOM 4732 N ND2 . ASN A 1 611 ? 63.046 54.411 34.206 1.00 42.25 ? ? ? ? ? ? 611 ASN A ND2 1 +ATOM 4733 N N . THR A 1 612 ? 60.138 53.260 32.481 1.00 52.61 ? ? ? ? ? ? 612 THR A N 1 +ATOM 4734 C CA . THR A 1 612 ? 58.730 53.628 32.705 1.00 56.13 ? ? ? ? ? ? 612 THR A CA 1 +ATOM 4735 C C . THR A 1 612 ? 58.496 55.121 32.520 1.00 59.05 ? ? ? ? ? ? 612 THR A C 1 +ATOM 4736 O O . THR A 1 612 ? 58.033 55.583 31.465 1.00 58.31 ? ? ? ? ? ? 612 THR A O 1 +ATOM 4737 C CB . THR A 1 612 ? 58.297 53.316 34.167 1.00 55.86 ? ? ? ? ? ? 612 THR A CB 1 +ATOM 4738 O OG1 . THR A 1 612 ? 58.635 51.971 34.504 1.00 56.20 ? ? ? ? ? ? 612 THR A OG1 1 +ATOM 4739 C CG2 . THR A 1 612 ? 56.814 53.538 34.359 1.00 55.13 ? ? ? ? ? ? 612 THR A CG2 1 +ATOM 4740 N N . GLU A 1 613 ? 58.848 55.850 33.580 1.00 62.80 ? ? ? ? ? ? 613 GLU A N 1 +ATOM 4741 C CA . GLU A 1 613 ? 58.704 57.289 33.670 1.00 65.54 ? ? ? ? ? ? 613 GLU A CA 1 +ATOM 4742 C C . GLU A 1 613 ? 58.954 57.987 32.332 1.00 66.35 ? ? ? ? ? ? 613 GLU A C 1 +ATOM 4743 O O . GLU A 1 613 ? 58.044 58.625 31.801 1.00 67.26 ? ? ? ? ? ? 613 GLU A O 1 +ATOM 4744 C CB . GLU A 1 613 ? 59.614 57.847 34.792 1.00 67.09 ? ? ? ? ? ? 613 GLU A CB 1 +ATOM 4745 C CG . GLU A 1 613 ? 58.942 58.054 36.188 1.00 68.34 ? ? ? ? ? ? 613 GLU A CG 1 +ATOM 4746 C CD . GLU A 1 613 ? 59.831 58.815 37.222 1.00 68.53 ? ? ? ? ? ? 613 GLU A CD 1 +ATOM 4747 O OE1 . GLU A 1 613 ? 60.823 59.475 36.828 1.00 67.83 ? ? ? ? ? ? 613 GLU A OE1 1 +ATOM 4748 O OE2 . GLU A 1 613 ? 59.524 58.759 38.439 1.00 67.01 ? ? ? ? ? ? 613 GLU A OE2 1 +ATOM 4749 N N . ASP A 1 614 ? 60.121 57.774 31.728 1.00 66.83 ? ? ? ? ? ? 614 ASP A N 1 +ATOM 4750 C CA . ASP A 1 614 ? 60.418 58.446 30.466 1.00 67.82 ? ? ? ? ? ? 614 ASP A CA 1 +ATOM 4751 C C . ASP A 1 614 ? 59.851 57.831 29.197 1.00 68.37 ? ? ? ? ? ? 614 ASP A C 1 +ATOM 4752 O O . ASP A 1 614 ? 59.895 58.458 28.139 1.00 68.63 ? ? ? ? ? ? 614 ASP A O 1 +ATOM 4753 C CB . ASP A 1 614 ? 61.918 58.711 30.306 1.00 68.49 ? ? ? ? ? ? 614 ASP A CB 1 +ATOM 4754 C CG . ASP A 1 614 ? 62.664 57.565 29.644 1.00 69.29 ? ? ? ? ? ? 614 ASP A CG 1 +ATOM 4755 O OD1 . ASP A 1 614 ? 62.508 57.361 28.417 1.00 68.49 ? ? ? ? ? ? 614 ASP A OD1 1 +ATOM 4756 O OD2 . ASP A 1 614 ? 63.452 56.900 30.349 1.00 70.24 ? ? ? ? ? ? 614 ASP A OD2 1 +ATOM 4757 N N . ALA A 1 615 ? 59.383 56.593 29.264 1.00 68.88 ? ? ? ? ? ? 615 ALA A N 1 +ATOM 4758 C CA . ALA A 1 615 ? 58.805 55.974 28.075 1.00 69.13 ? ? ? ? ? ? 615 ALA A CA 1 +ATOM 4759 C C . ALA A 1 615 ? 57.445 56.628 27.819 1.00 69.12 ? ? ? ? ? ? 615 ALA A C 1 +ATOM 4760 O O . ALA A 1 615 ? 57.071 56.896 26.665 1.00 69.19 ? ? ? ? ? ? 615 ALA A O 1 +ATOM 4761 C CB . ALA A 1 615 ? 58.644 54.487 28.272 1.00 69.45 ? ? ? ? ? ? 615 ALA A CB 1 +ATOM 4762 N N . LYS A 1 616 ? 56.733 56.924 28.910 1.00 68.28 ? ? ? ? ? ? 616 LYS A N 1 +ATOM 4763 C CA . LYS A 1 616 ? 55.416 57.570 28.851 1.00 66.60 ? ? ? ? ? ? 616 LYS A CA 1 +ATOM 4764 C C . LYS A 1 616 ? 55.511 58.904 28.106 1.00 66.20 ? ? ? ? ? ? 616 LYS A C 1 +ATOM 4765 O O . LYS A 1 616 ? 54.506 59.432 27.628 1.00 66.39 ? ? ? ? ? ? 616 LYS A O 1 +ATOM 4766 C CB . LYS A 1 616 ? 54.873 57.842 30.266 1.00 64.54 ? ? ? ? ? ? 616 LYS A CB 1 +ATOM 4767 C CG . LYS A 1 616 ? 54.639 56.624 31.156 1.00 61.39 ? ? ? ? ? ? 616 LYS A CG 1 +ATOM 4768 C CD . LYS A 1 616 ? 54.348 57.100 32.580 1.00 59.35 ? ? ? ? ? ? 616 LYS A CD 1 +ATOM 4769 C CE . LYS A 1 616 ? 54.213 55.954 33.577 1.00 58.14 ? ? ? ? ? ? 616 LYS A CE 1 +ATOM 4770 N NZ . LYS A 1 616 ? 54.259 56.413 35.008 1.00 55.25 ? ? ? ? ? ? 616 LYS A NZ 1 +ATOM 4771 N N . ARG A 1 617 ? 56.723 59.432 27.993 1.00 65.56 ? ? ? ? ? ? 617 ARG A N 1 +ATOM 4772 C CA . ARG A 1 617 ? 56.949 60.710 27.335 1.00 65.66 ? ? ? ? ? ? 617 ARG A CA 1 +ATOM 4773 C C . ARG A 1 617 ? 57.792 60.518 26.062 1.00 64.16 ? ? ? ? ? ? 617 ARG A C 1 +ATOM 4774 O O . ARG A 1 617 ? 58.414 61.450 25.541 1.00 63.22 ? ? ? ? ? ? 617 ARG A O 1 +ATOM 4775 C CB . ARG A 1 617 ? 57.625 61.644 28.341 1.00 67.57 ? ? ? ? ? ? 617 ARG A CB 1 +ATOM 4776 C CG . ARG A 1 617 ? 57.766 63.082 27.905 1.00 71.38 ? ? ? ? ? ? 617 ARG A CG 1 +ATOM 4777 C CD . ARG A 1 617 ? 59.168 63.585 28.228 1.00 74.44 ? ? ? ? ? ? 617 ARG A CD 1 +ATOM 4778 N NE . ARG A 1 617 ? 60.198 62.636 27.797 1.00 75.88 ? ? ? ? ? ? 617 ARG A NE 1 +ATOM 4779 C CZ . ARG A 1 617 ? 60.838 61.808 28.620 1.00 77.20 ? ? ? ? ? ? 617 ARG A CZ 1 +ATOM 4780 N NH1 . ARG A 1 617 ? 60.556 61.806 29.924 1.00 77.39 ? ? ? ? ? ? 617 ARG A NH1 1 +ATOM 4781 N NH2 . ARG A 1 617 ? 61.783 61.004 28.146 1.00 77.72 ? ? ? ? ? ? 617 ARG A NH2 1 +ATOM 4782 N N . LEU A 1 618 ? 57.765 59.293 25.554 1.00 63.01 ? ? ? ? ? ? 618 LEU A N 1 +ATOM 4783 C CA . LEU A 1 618 ? 58.505 58.909 24.353 1.00 61.58 ? ? ? ? ? ? 618 LEU A CA 1 +ATOM 4784 C C . LEU A 1 618 ? 57.543 58.364 23.294 1.00 60.49 ? ? ? ? ? ? 618 LEU A C 1 +ATOM 4785 O O . LEU A 1 618 ? 57.851 58.345 22.094 1.00 59.64 ? ? ? ? ? ? 618 LEU A O 1 +ATOM 4786 C CB . LEU A 1 618 ? 59.547 57.839 24.714 1.00 61.71 ? ? ? ? ? ? 618 LEU A CB 1 +ATOM 4787 C CG . LEU A 1 618 ? 61.022 58.228 24.874 1.00 61.09 ? ? ? ? ? ? 618 LEU A CG 1 +ATOM 4788 C CD1 . LEU A 1 618 ? 61.785 58.131 23.543 1.00 59.97 ? ? ? ? ? ? 618 LEU A CD1 1 +ATOM 4789 C CD2 . LEU A 1 618 ? 61.109 59.616 25.465 1.00 61.67 ? ? ? ? ? ? 618 LEU A CD2 1 +ATOM 4790 N N . GLY A 1 619 ? 56.381 57.909 23.758 1.00 59.59 ? ? ? ? ? ? 619 GLY A N 1 +ATOM 4791 C CA . GLY A 1 619 ? 55.374 57.369 22.861 1.00 58.56 ? ? ? ? ? ? 619 GLY A CA 1 +ATOM 4792 C C . GLY A 1 619 ? 55.668 55.929 22.507 1.00 57.37 ? ? ? ? ? ? 619 GLY A C 1 +ATOM 4793 O O . GLY A 1 619 ? 55.488 55.507 21.362 1.00 58.06 ? ? ? ? ? ? 619 GLY A O 1 +ATOM 4794 N N . ILE A 1 620 ? 56.111 55.171 23.502 1.00 55.19 ? ? ? ? ? ? 620 ILE A N 1 +ATOM 4795 C CA . ILE A 1 620 ? 56.449 53.773 23.311 1.00 54.04 ? ? ? ? ? ? 620 ILE A CA 1 +ATOM 4796 C C . ILE A 1 620 ? 55.855 53.017 24.500 1.00 54.07 ? ? ? ? ? ? 620 ILE A C 1 +ATOM 4797 O O . ILE A 1 620 ? 55.955 53.486 25.639 1.00 54.86 ? ? ? ? ? ? 620 ILE A O 1 +ATOM 4798 C CB . ILE A 1 620 ? 57.999 53.597 23.309 1.00 54.28 ? ? ? ? ? ? 620 ILE A CB 1 +ATOM 4799 C CG1 . ILE A 1 620 ? 58.633 54.547 22.288 1.00 54.06 ? ? ? ? ? ? 620 ILE A CG1 1 +ATOM 4800 C CG2 . ILE A 1 620 ? 58.392 52.150 22.987 1.00 52.35 ? ? ? ? ? ? 620 ILE A CG2 1 +ATOM 4801 C CD1 . ILE A 1 620 ? 60.101 54.854 22.548 1.00 54.24 ? ? ? ? ? ? 620 ILE A CD1 1 +ATOM 4802 N N . GLU A 1 621 ? 55.181 51.895 24.240 1.00 52.81 ? ? ? ? ? ? 621 GLU A N 1 +ATOM 4803 C CA . GLU A 1 621 ? 54.610 51.090 25.325 1.00 50.84 ? ? ? ? ? ? 621 GLU A CA 1 +ATOM 4804 C C . GLU A 1 621 ? 55.050 49.644 25.186 1.00 48.40 ? ? ? ? ? ? 621 GLU A C 1 +ATOM 4805 O O . GLU A 1 621 ? 55.555 49.229 24.141 1.00 47.52 ? ? ? ? ? ? 621 GLU A O 1 +ATOM 4806 C CB . GLU A 1 621 ? 53.070 51.161 25.362 1.00 52.69 ? ? ? ? ? ? 621 GLU A CB 1 +ATOM 4807 C CG . GLU A 1 621 ? 52.445 51.786 26.658 1.00 53.48 ? ? ? ? ? ? 621 GLU A CG 1 +ATOM 4808 C CD . GLU A 1 621 ? 52.533 50.913 27.934 1.00 52.89 ? ? ? ? ? ? 621 GLU A CD 1 +ATOM 4809 O OE1 . GLU A 1 621 ? 53.653 50.565 28.367 1.00 53.28 ? ? ? ? ? ? 621 GLU A OE1 1 +ATOM 4810 O OE2 . GLU A 1 621 ? 51.474 50.615 28.534 1.00 51.74 ? ? ? ? ? ? 621 GLU A OE2 1 +ATOM 4811 N N . ASP A 1 622 ? 54.876 48.905 26.274 1.00 46.37 ? ? ? ? ? ? 622 ASP A N 1 +ATOM 4812 C CA . ASP A 1 622 ? 55.213 47.492 26.378 1.00 44.77 ? ? ? ? ? ? 622 ASP A CA 1 +ATOM 4813 C C . ASP A 1 622 ? 54.781 46.759 25.089 1.00 42.88 ? ? ? ? ? ? 622 ASP A C 1 +ATOM 4814 O O . ASP A 1 622 ? 53.788 47.128 24.468 1.00 42.55 ? ? ? ? ? ? 622 ASP A O 1 +ATOM 4815 C CB . ASP A 1 622 ? 54.463 46.920 27.603 1.00 45.41 ? ? ? ? ? ? 622 ASP A CB 1 +ATOM 4816 C CG . ASP A 1 622 ? 55.211 45.782 28.310 1.00 47.61 ? ? ? ? ? ? 622 ASP A CG 1 +ATOM 4817 O OD1 . ASP A 1 622 ? 56.273 45.328 27.831 1.00 48.61 ? ? ? ? ? ? 622 ASP A OD1 1 +ATOM 4818 O OD2 . ASP A 1 622 ? 54.721 45.332 29.372 1.00 47.77 ? ? ? ? ? ? 622 ASP A OD2 1 +ATOM 4819 N N . GLU A 1 623 ? 55.579 45.782 24.664 1.00 40.52 ? ? ? ? ? ? 623 GLU A N 1 +ATOM 4820 C CA . GLU A 1 623 ? 55.307 44.952 23.487 1.00 38.00 ? ? ? ? ? ? 623 GLU A CA 1 +ATOM 4821 C C . GLU A 1 623 ? 55.262 45.597 22.104 1.00 37.21 ? ? ? ? ? ? 623 GLU A C 1 +ATOM 4822 O O . GLU A 1 623 ? 54.965 44.931 21.115 1.00 37.21 ? ? ? ? ? ? 623 GLU A O 1 +ATOM 4823 C CB . GLU A 1 623 ? 54.041 44.134 23.707 1.00 37.07 ? ? ? ? ? ? 623 GLU A CB 1 +ATOM 4824 C CG . GLU A 1 623 ? 54.021 43.424 25.045 1.00 37.06 ? ? ? ? ? ? 623 GLU A CG 1 +ATOM 4825 C CD . GLU A 1 623 ? 55.313 42.719 25.343 1.00 36.37 ? ? ? ? ? ? 623 GLU A CD 1 +ATOM 4826 O OE1 . GLU A 1 623 ? 55.769 41.929 24.494 1.00 37.13 ? ? ? ? ? ? 623 GLU A OE1 1 +ATOM 4827 O OE2 . GLU A 1 623 ? 55.881 42.964 26.422 1.00 37.11 ? ? ? ? ? ? 623 GLU A OE2 1 +ATOM 4828 N N . ALA A 1 624 ? 55.629 46.862 22.012 1.00 35.99 ? ? ? ? ? ? 624 ALA A N 1 +ATOM 4829 C CA . ALA A 1 624 ? 55.596 47.535 20.732 1.00 34.23 ? ? ? ? ? ? 624 ALA A CA 1 +ATOM 4830 C C . ALA A 1 624 ? 56.920 47.448 19.996 1.00 34.28 ? ? ? ? ? ? 624 ALA A C 1 +ATOM 4831 O O . ALA A 1 624 ? 57.992 47.603 20.601 1.00 33.55 ? ? ? ? ? ? 624 ALA A O 1 +ATOM 4832 C CB . ALA A 1 624 ? 55.206 48.985 20.932 1.00 34.87 ? ? ? ? ? ? 624 ALA A CB 1 +ATOM 4833 N N . LEU A 1 625 ? 56.847 47.184 18.692 1.00 33.70 ? ? ? ? ? ? 625 LEU A N 1 +ATOM 4834 C CA . LEU A 1 625 ? 58.047 47.125 17.863 1.00 33.19 ? ? ? ? ? ? 625 LEU A CA 1 +ATOM 4835 C C . LEU A 1 625 ? 58.546 48.549 17.728 1.00 33.70 ? ? ? ? ? ? 625 LEU A C 1 +ATOM 4836 O O . LEU A 1 625 ? 57.767 49.467 17.479 1.00 35.82 ? ? ? ? ? ? 625 LEU A O 1 +ATOM 4837 C CB . LEU A 1 625 ? 57.744 46.503 16.506 1.00 32.45 ? ? ? ? ? ? 625 LEU A CB 1 +ATOM 4838 C CG . LEU A 1 625 ? 57.515 44.988 16.593 1.00 32.59 ? ? ? ? ? ? 625 LEU A CG 1 +ATOM 4839 C CD1 . LEU A 1 625 ? 57.312 44.405 15.214 1.00 32.06 ? ? ? ? ? ? 625 LEU A CD1 1 +ATOM 4840 C CD2 . LEU A 1 625 ? 58.705 44.324 17.274 1.00 31.81 ? ? ? ? ? ? 625 LEU A CD2 1 +ATOM 4841 N N . VAL A 1 626 ? 59.846 48.731 17.880 1.00 33.80 ? ? ? ? ? ? 626 VAL A N 1 +ATOM 4842 C CA . VAL A 1 626 ? 60.470 50.045 17.861 1.00 33.01 ? ? ? ? ? ? 626 VAL A CA 1 +ATOM 4843 C C . VAL A 1 626 ? 61.792 50.003 17.052 1.00 34.32 ? ? ? ? ? ? 626 VAL A C 1 +ATOM 4844 O O . VAL A 1 626 ? 62.288 48.927 16.687 1.00 34.44 ? ? ? ? ? ? 626 VAL A O 1 +ATOM 4845 C CB . VAL A 1 626 ? 60.686 50.477 19.362 1.00 30.48 ? ? ? ? ? ? 626 VAL A CB 1 +ATOM 4846 C CG1 . VAL A 1 626 ? 61.887 49.789 19.966 1.00 28.85 ? ? ? ? ? ? 626 VAL A CG1 1 +ATOM 4847 C CG2 . VAL A 1 626 ? 60.786 51.951 19.512 1.00 30.53 ? ? ? ? ? ? 626 VAL A CG2 1 +ATOM 4848 N N . TRP A 1 627 ? 62.318 51.164 16.691 1.00 36.57 ? ? ? ? ? ? 627 TRP A N 1 +ATOM 4849 C CA . TRP A 1 627 ? 63.576 51.219 15.945 1.00 39.36 ? ? ? ? ? ? 627 TRP A CA 1 +ATOM 4850 C C . TRP A 1 627 ? 64.723 51.798 16.784 1.00 39.29 ? ? ? ? ? ? 627 TRP A C 1 +ATOM 4851 O O . TRP A 1 627 ? 64.521 52.694 17.615 1.00 40.74 ? ? ? ? ? ? 627 TRP A O 1 +ATOM 4852 C CB . TRP A 1 627 ? 63.436 52.020 14.647 1.00 40.27 ? ? ? ? ? ? 627 TRP A CB 1 +ATOM 4853 C CG . TRP A 1 627 ? 62.754 51.271 13.559 1.00 42.07 ? ? ? ? ? ? 627 TRP A CG 1 +ATOM 4854 C CD1 . TRP A 1 627 ? 61.432 51.344 13.220 1.00 42.26 ? ? ? ? ? ? 627 TRP A CD1 1 +ATOM 4855 C CD2 . TRP A 1 627 ? 63.348 50.325 12.655 1.00 42.28 ? ? ? ? ? ? 627 TRP A CD2 1 +ATOM 4856 N NE1 . TRP A 1 627 ? 61.163 50.501 12.165 1.00 42.74 ? ? ? ? ? ? 627 TRP A NE1 1 +ATOM 4857 C CE2 . TRP A 1 627 ? 62.321 49.865 11.796 1.00 42.12 ? ? ? ? ? ? 627 TRP A CE2 1 +ATOM 4858 C CE3 . TRP A 1 627 ? 64.645 49.823 12.485 1.00 42.94 ? ? ? ? ? ? 627 TRP A CE3 1 +ATOM 4859 C CZ2 . TRP A 1 627 ? 62.551 48.929 10.786 1.00 41.62 ? ? ? ? ? ? 627 TRP A CZ2 1 +ATOM 4860 C CZ3 . TRP A 1 627 ? 64.875 48.884 11.470 1.00 42.23 ? ? ? ? ? ? 627 TRP A CZ3 1 +ATOM 4861 C CH2 . TRP A 1 627 ? 63.831 48.451 10.639 1.00 42.03 ? ? ? ? ? ? 627 TRP A CH2 1 +ATOM 4862 N N . VAL A 1 628 ? 65.927 51.306 16.526 1.00 38.53 ? ? ? ? ? ? 628 VAL A N 1 +ATOM 4863 C CA . VAL A 1 628 ? 67.109 51.756 17.250 1.00 36.83 ? ? ? ? ? ? 628 VAL A CA 1 +ATOM 4864 C C . VAL A 1 628 ? 68.099 52.163 16.180 1.00 35.81 ? ? ? ? ? ? 628 VAL A C 1 +ATOM 4865 O O . VAL A 1 628 ? 68.548 51.329 15.408 1.00 32.95 ? ? ? ? ? ? 628 VAL A O 1 +ATOM 4866 C CB . VAL A 1 628 ? 67.759 50.631 18.084 1.00 37.46 ? ? ? ? ? ? 628 VAL A CB 1 +ATOM 4867 C CG1 . VAL A 1 628 ? 68.558 51.239 19.243 1.00 37.48 ? ? ? ? ? ? 628 VAL A CG1 1 +ATOM 4868 C CG2 . VAL A 1 628 ? 66.717 49.679 18.597 1.00 36.72 ? ? ? ? ? ? 628 VAL A CG2 1 +ATOM 4869 N N . HIS A 1 629 ? 68.412 53.449 16.114 1.00 35.84 ? ? ? ? ? ? 629 HIS A N 1 +ATOM 4870 C CA . HIS A 1 629 ? 69.336 53.950 15.109 1.00 35.56 ? ? ? ? ? ? 629 HIS A CA 1 +ATOM 4871 C C . HIS A 1 629 ? 70.717 54.210 15.676 1.00 34.23 ? ? ? ? ? ? 629 HIS A C 1 +ATOM 4872 O O . HIS A 1 629 ? 70.860 54.423 16.888 1.00 33.37 ? ? ? ? ? ? 629 HIS A O 1 +ATOM 4873 C CB . HIS A 1 629 ? 68.760 55.206 14.468 1.00 37.75 ? ? ? ? ? ? 629 HIS A CB 1 +ATOM 4874 C CG . HIS A 1 629 ? 67.546 54.933 13.636 1.00 39.95 ? ? ? ? ? ? 629 HIS A CG 1 +ATOM 4875 N ND1 . HIS A 1 629 ? 66.447 54.252 14.118 1.00 41.05 ? ? ? ? ? ? 629 HIS A ND1 1 +ATOM 4876 C CD2 . HIS A 1 629 ? 67.271 55.226 12.344 1.00 40.42 ? ? ? ? ? ? 629 HIS A CD2 1 +ATOM 4877 C CE1 . HIS A 1 629 ? 65.553 54.126 13.148 1.00 39.84 ? ? ? ? ? ? 629 HIS A CE1 1 +ATOM 4878 N NE2 . HIS A 1 629 ? 66.029 54.710 12.067 1.00 40.76 ? ? ? ? ? ? 629 HIS A NE2 1 +ATOM 4879 N N . SER A 1 630 ? 71.707 54.270 14.785 1.00 32.64 ? ? ? ? ? ? 630 SER A N 1 +ATOM 4880 C CA . SER A 1 630 ? 73.100 54.484 15.181 1.00 32.73 ? ? ? ? ? ? 630 SER A CA 1 +ATOM 4881 C C . SER A 1 630 ? 74.050 54.739 13.997 1.00 31.70 ? ? ? ? ? ? 630 SER A C 1 +ATOM 4882 O O . SER A 1 630 ? 73.777 54.380 12.844 1.00 32.43 ? ? ? ? ? ? 630 SER A O 1 +ATOM 4883 C CB . SER A 1 630 ? 73.614 53.286 16.011 1.00 32.08 ? ? ? ? ? ? 630 SER A CB 1 +ATOM 4884 O OG . SER A 1 630 ? 74.826 52.739 15.498 1.00 30.28 ? ? ? ? ? ? 630 SER A OG 1 +ATOM 4885 N N . ARG A 1 631 ? 75.169 55.367 14.316 1.00 29.32 ? ? ? ? ? ? 631 ARG A N 1 +ATOM 4886 C CA . ARG A 1 631 ? 76.205 55.650 13.348 1.00 30.23 ? ? ? ? ? ? 631 ARG A CA 1 +ATOM 4887 C C . ARG A 1 631 ? 76.615 54.353 12.630 1.00 30.24 ? ? ? ? ? ? 631 ARG A C 1 +ATOM 4888 O O . ARG A 1 631 ? 77.055 54.371 11.473 1.00 30.83 ? ? ? ? ? ? 631 ARG A O 1 +ATOM 4889 C CB . ARG A 1 631 ? 77.385 56.274 14.099 1.00 31.35 ? ? ? ? ? ? 631 ARG A CB 1 +ATOM 4890 C CG . ARG A 1 631 ? 76.882 57.376 15.031 1.00 32.98 ? ? ? ? ? ? 631 ARG A CG 1 +ATOM 4891 C CD . ARG A 1 631 ? 77.917 58.068 15.871 1.00 34.57 ? ? ? ? ? ? 631 ARG A CD 1 +ATOM 4892 N NE . ARG A 1 631 ? 77.262 59.109 16.660 1.00 35.40 ? ? ? ? ? ? 631 ARG A NE 1 +ATOM 4893 C CZ . ARG A 1 631 ? 77.878 59.940 17.491 1.00 37.16 ? ? ? ? ? ? 631 ARG A CZ 1 +ATOM 4894 N NH1 . ARG A 1 631 ? 79.196 59.874 17.657 1.00 39.06 ? ? ? ? ? ? 631 ARG A NH1 1 +ATOM 4895 N NH2 . ARG A 1 631 ? 77.164 60.812 18.191 1.00 37.63 ? ? ? ? ? ? 631 ARG A NH2 1 +ATOM 4896 N N . LYS A 1 632 ? 76.480 53.235 13.334 1.00 30.05 ? ? ? ? ? ? 632 LYS A N 1 +ATOM 4897 C CA . LYS A 1 632 ? 76.822 51.922 12.786 1.00 29.43 ? ? ? ? ? ? 632 LYS A CA 1 +ATOM 4898 C C . LYS A 1 632 ? 75.613 51.235 12.165 1.00 28.57 ? ? ? ? ? ? 632 LYS A C 1 +ATOM 4899 O O . LYS A 1 632 ? 75.765 50.396 11.268 1.00 27.39 ? ? ? ? ? ? 632 LYS A O 1 +ATOM 4900 C CB . LYS A 1 632 ? 77.415 51.032 13.881 1.00 29.22 ? ? ? ? ? ? 632 LYS A CB 1 +ATOM 4901 C CG . LYS A 1 632 ? 78.632 51.633 14.519 1.00 27.69 ? ? ? ? ? ? 632 LYS A CG 1 +ATOM 4902 C CD . LYS A 1 632 ? 79.706 51.796 13.482 1.00 29.45 ? ? ? ? ? ? 632 LYS A CD 1 +ATOM 4903 C CE . LYS A 1 632 ? 80.381 53.138 13.558 1.00 29.99 ? ? ? ? ? ? 632 LYS A CE 1 +ATOM 4904 N NZ . LYS A 1 632 ? 81.646 53.073 12.776 1.00 28.84 ? ? ? ? ? ? 632 LYS A NZ 1 +ATOM 4905 N N . GLY A 1 633 ? 74.415 51.631 12.603 1.00 28.26 ? ? ? ? ? ? 633 GLY A N 1 +ATOM 4906 C CA . GLY A 1 633 ? 73.214 51.013 12.067 1.00 28.39 ? ? ? ? ? ? 633 GLY A CA 1 +ATOM 4907 C C . GLY A 1 633 ? 71.894 51.541 12.585 1.00 28.46 ? ? ? ? ? ? 633 GLY A C 1 +ATOM 4908 O O . GLY A 1 633 ? 71.784 52.665 13.078 1.00 28.42 ? ? ? ? ? ? 633 GLY A O 1 +ATOM 4909 N N . LYS A 1 634 ? 70.875 50.704 12.449 1.00 29.29 ? ? ? ? ? ? 634 LYS A N 1 +ATOM 4910 C CA . LYS A 1 634 ? 69.523 51.020 12.875 1.00 31.05 ? ? ? ? ? ? 634 LYS A CA 1 +ATOM 4911 C C . LYS A 1 634 ? 68.858 49.640 12.963 1.00 32.23 ? ? ? ? ? ? 634 LYS A C 1 +ATOM 4912 O O . LYS A 1 634 ? 68.717 48.931 11.952 1.00 32.89 ? ? ? ? ? ? 634 LYS A O 1 +ATOM 4913 C CB . LYS A 1 634 ? 68.843 51.936 11.840 1.00 31.84 ? ? ? ? ? ? 634 LYS A CB 1 +ATOM 4914 C CG . LYS A 1 634 ? 67.323 51.814 11.748 1.00 32.80 ? ? ? ? ? ? 634 LYS A CG 1 +ATOM 4915 C CD . LYS A 1 634 ? 66.785 52.443 10.473 1.00 32.56 ? ? ? ? ? ? 634 LYS A CD 1 +ATOM 4916 C CE . LYS A 1 634 ? 65.254 52.470 10.479 1.00 32.43 ? ? ? ? ? ? 634 LYS A CE 1 +ATOM 4917 N NZ . LYS A 1 634 ? 64.699 53.542 9.591 1.00 32.95 ? ? ? ? ? ? 634 LYS A NZ 1 +ATOM 4918 N N . ILE A 1 635 ? 68.630 49.200 14.201 1.00 32.64 ? ? ? ? ? ? 635 ILE A N 1 +ATOM 4919 C CA . ILE A 1 635 ? 68.044 47.897 14.494 1.00 30.92 ? ? ? ? ? ? 635 ILE A CA 1 +ATOM 4920 C C . ILE A 1 635 ? 66.553 47.971 14.886 1.00 30.81 ? ? ? ? ? ? 635 ILE A C 1 +ATOM 4921 O O . ILE A 1 635 ? 66.061 49.030 15.288 1.00 28.57 ? ? ? ? ? ? 635 ILE A O 1 +ATOM 4922 C CB . ILE A 1 635 ? 68.929 47.183 15.571 1.00 29.51 ? ? ? ? ? ? 635 ILE A CB 1 +ATOM 4923 C CG1 . ILE A 1 635 ? 70.004 46.371 14.878 1.00 29.98 ? ? ? ? ? ? 635 ILE A CG1 1 +ATOM 4924 C CG2 . ILE A 1 635 ? 68.124 46.335 16.526 1.00 28.89 ? ? ? ? ? ? 635 ILE A CG2 1 +ATOM 4925 C CD1 . ILE A 1 635 ? 69.453 45.453 13.817 1.00 31.30 ? ? ? ? ? ? 635 ILE A CD1 1 +ATOM 4926 N N . ILE A 1 636 ? 65.843 46.862 14.682 1.00 30.82 ? ? ? ? ? ? 636 ILE A N 1 +ATOM 4927 C CA . ILE A 1 636 ? 64.426 46.769 15.026 1.00 31.80 ? ? ? ? ? ? 636 ILE A CA 1 +ATOM 4928 C C . ILE A 1 636 ? 64.350 45.854 16.243 1.00 32.05 ? ? ? ? ? ? 636 ILE A C 1 +ATOM 4929 O O . ILE A 1 636 ? 65.105 44.876 16.312 1.00 30.59 ? ? ? ? ? ? 636 ILE A O 1 +ATOM 4930 C CB . ILE A 1 636 ? 63.601 46.165 13.839 1.00 31.81 ? ? ? ? ? ? 636 ILE A CB 1 +ATOM 4931 C CG1 . ILE A 1 636 ? 62.116 46.512 13.970 1.00 31.48 ? ? ? ? ? ? 636 ILE A CG1 1 +ATOM 4932 C CG2 . ILE A 1 636 ? 63.750 44.645 13.795 1.00 33.00 ? ? ? ? ? ? 636 ILE A CG2 1 +ATOM 4933 C CD1 . ILE A 1 636 ? 61.301 45.507 14.755 1.00 31.15 ? ? ? ? ? ? 636 ILE A CD1 1 +ATOM 4934 N N . THR A 1 637 ? 63.524 46.228 17.228 1.00 32.28 ? ? ? ? ? ? 637 THR A N 1 +ATOM 4935 C CA . THR A 1 637 ? 63.322 45.423 18.448 1.00 32.68 ? ? ? ? ? ? 637 THR A CA 1 +ATOM 4936 C C . THR A 1 637 ? 61.970 45.693 19.054 1.00 33.05 ? ? ? ? ? ? 637 THR A C 1 +ATOM 4937 O O . THR A 1 637 ? 61.275 46.604 18.633 1.00 32.70 ? ? ? ? ? ? 637 THR A O 1 +ATOM 4938 C CB . THR A 1 637 ? 64.307 45.745 19.560 1.00 31.42 ? ? ? ? ? ? 637 THR A CB 1 +ATOM 4939 O OG1 . THR A 1 637 ? 64.347 47.157 19.759 1.00 33.38 ? ? ? ? ? ? 637 THR A OG1 1 +ATOM 4940 C CG2 . THR A 1 637 ? 65.651 45.220 19.234 1.00 31.12 ? ? ? ? ? ? 637 THR A CG2 1 +ATOM 4941 N N . ARG A 1 638 ? 61.577 44.858 20.008 1.00 34.96 ? ? ? ? ? ? 638 ARG A N 1 +ATOM 4942 C CA . ARG A 1 638 ? 60.309 45.039 20.702 1.00 36.14 ? ? ? ? ? ? 638 ARG A CA 1 +ATOM 4943 C C . ARG A 1 638 ? 60.642 45.733 22.007 1.00 37.28 ? ? ? ? ? ? 638 ARG A C 1 +ATOM 4944 O O . ARG A 1 638 ? 61.638 45.412 22.657 1.00 37.74 ? ? ? ? ? ? 638 ARG A O 1 +ATOM 4945 C CB . ARG A 1 638 ? 59.632 43.699 20.977 1.00 35.95 ? ? ? ? ? ? 638 ARG A CB 1 +ATOM 4946 C CG . ARG A 1 638 ? 58.539 43.775 22.032 1.00 34.72 ? ? ? ? ? ? 638 ARG A CG 1 +ATOM 4947 C CD . ARG A 1 638 ? 57.520 42.677 21.855 1.00 34.34 ? ? ? ? ? ? 638 ARG A CD 1 +ATOM 4948 N NE . ARG A 1 638 ? 56.760 42.853 20.621 1.00 34.77 ? ? ? ? ? ? 638 ARG A NE 1 +ATOM 4949 C CZ . ARG A 1 638 ? 57.018 42.212 19.489 1.00 34.92 ? ? ? ? ? ? 638 ARG A CZ 1 +ATOM 4950 N NH1 . ARG A 1 638 ? 58.016 41.344 19.434 1.00 37.16 ? ? ? ? ? ? 638 ARG A NH1 1 +ATOM 4951 N NH2 . ARG A 1 638 ? 56.306 42.461 18.402 1.00 34.89 ? ? ? ? ? ? 638 ARG A NH2 1 +ATOM 4952 N N . ALA A 1 639 ? 59.842 46.723 22.363 1.00 37.68 ? ? ? ? ? ? 639 ALA A N 1 +ATOM 4953 C CA . ALA A 1 639 ? 60.076 47.460 23.587 1.00 37.67 ? ? ? ? ? ? 639 ALA A CA 1 +ATOM 4954 C C . ALA A 1 639 ? 59.567 46.676 24.786 1.00 38.44 ? ? ? ? ? ? 639 ALA A C 1 +ATOM 4955 O O . ALA A 1 639 ? 58.910 45.636 24.647 1.00 38.78 ? ? ? ? ? ? 639 ALA A O 1 +ATOM 4956 C CB . ALA A 1 639 ? 59.373 48.789 23.510 1.00 38.54 ? ? ? ? ? ? 639 ALA A CB 1 +ATOM 4957 N N . GLN A 1 640 ? 59.936 47.140 25.968 1.00 38.38 ? ? ? ? ? ? 640 GLN A N 1 +ATOM 4958 C CA . GLN A 1 640 ? 59.466 46.537 27.198 1.00 39.14 ? ? ? ? ? ? 640 GLN A CA 1 +ATOM 4959 C C . GLN A 1 640 ? 59.702 47.563 28.256 1.00 38.50 ? ? ? ? ? ? 640 GLN A C 1 +ATOM 4960 O O . GLN A 1 640 ? 60.781 47.641 28.852 1.00 37.93 ? ? ? ? ? ? 640 GLN A O 1 +ATOM 4961 C CB . GLN A 1 640 ? 60.147 45.213 27.555 1.00 41.08 ? ? ? ? ? ? 640 GLN A CB 1 +ATOM 4962 C CG . GLN A 1 640 ? 59.360 44.453 28.619 1.00 43.02 ? ? ? ? ? ? 640 GLN A CG 1 +ATOM 4963 C CD . GLN A 1 640 ? 59.856 43.046 28.836 1.00 46.83 ? ? ? ? ? ? 640 GLN A CD 1 +ATOM 4964 O OE1 . GLN A 1 640 ? 59.163 42.064 28.527 1.00 48.51 ? ? ? ? ? ? 640 GLN A OE1 1 +ATOM 4965 N NE2 . GLN A 1 640 ? 61.052 42.927 29.402 1.00 47.36 ? ? ? ? ? ? 640 GLN A NE2 1 +ATOM 4966 N N . VAL A 1 641 ? 58.707 48.432 28.382 1.00 38.67 ? ? ? ? ? ? 641 VAL A N 1 +ATOM 4967 C CA . VAL A 1 641 ? 58.737 49.517 29.341 1.00 37.07 ? ? ? ? ? ? 641 VAL A CA 1 +ATOM 4968 C C . VAL A 1 641 ? 58.566 48.933 30.735 1.00 36.50 ? ? ? ? ? ? 641 VAL A C 1 +ATOM 4969 O O . VAL A 1 641 ? 57.767 48.023 30.943 1.00 35.96 ? ? ? ? ? ? 641 VAL A O 1 +ATOM 4970 C CB . VAL A 1 641 ? 57.652 50.562 29.027 1.00 35.04 ? ? ? ? ? ? 641 VAL A CB 1 +ATOM 4971 C CG1 . VAL A 1 641 ? 57.792 51.731 29.957 1.00 35.62 ? ? ? ? ? ? 641 VAL A CG1 1 +ATOM 4972 C CG2 . VAL A 1 641 ? 57.792 51.039 27.592 1.00 34.45 ? ? ? ? ? ? 641 VAL A CG2 1 +ATOM 4973 N N . SER A 1 642 ? 59.400 49.399 31.656 1.00 36.49 ? ? ? ? ? ? 642 SER A N 1 +ATOM 4974 C CA . SER A 1 642 ? 59.372 48.945 33.032 1.00 36.92 ? ? ? ? ? ? 642 SER A CA 1 +ATOM 4975 C C . SER A 1 642 ? 60.189 49.914 33.846 1.00 37.01 ? ? ? ? ? ? 642 SER A C 1 +ATOM 4976 O O . SER A 1 642 ? 60.838 50.808 33.304 1.00 36.61 ? ? ? ? ? ? 642 SER A O 1 +ATOM 4977 C CB . SER A 1 642 ? 59.989 47.554 33.155 1.00 38.04 ? ? ? ? ? ? 642 SER A CB 1 +ATOM 4978 O OG . SER A 1 642 ? 61.392 47.587 32.922 1.00 39.87 ? ? ? ? ? ? 642 SER A OG 1 +ATOM 4979 N N . ASP A 1 643 ? 60.123 49.752 35.160 1.00 39.11 ? ? ? ? ? ? 643 ASP A N 1 +ATOM 4980 C CA . ASP A 1 643 ? 60.850 50.599 36.110 1.00 40.62 ? ? ? ? ? ? 643 ASP A CA 1 +ATOM 4981 C C . ASP A 1 643 ? 62.240 50.080 36.433 1.00 40.18 ? ? ? ? ? ? 643 ASP A C 1 +ATOM 4982 O O . ASP A 1 643 ? 62.873 50.569 37.362 1.00 41.01 ? ? ? ? ? ? 643 ASP A O 1 +ATOM 4983 C CB . ASP A 1 643 ? 60.071 50.715 37.425 1.00 41.38 ? ? ? ? ? ? 643 ASP A CB 1 +ATOM 4984 C CG . ASP A 1 643 ? 58.991 51.751 37.363 1.00 42.14 ? ? ? ? ? ? 643 ASP A CG 1 +ATOM 4985 O OD1 . ASP A 1 643 ? 59.322 52.948 37.357 1.00 44.88 ? ? ? ? ? ? 643 ASP A OD1 1 +ATOM 4986 O OD2 . ASP A 1 643 ? 57.808 51.380 37.300 1.00 45.47 ? ? ? ? ? ? 643 ASP A OD2 1 +ATOM 4987 N N . ARG A 1 644 ? 62.684 49.054 35.720 1.00 39.40 ? ? ? ? ? ? 644 ARG A N 1 +ATOM 4988 C CA . ARG A 1 644 ? 63.998 48.494 35.981 1.00 38.19 ? ? ? ? ? ? 644 ARG A CA 1 +ATOM 4989 C C . ARG A 1 644 ? 65.151 49.241 35.274 1.00 36.62 ? ? ? ? ? ? 644 ARG A C 1 +ATOM 4990 O O . ARG A 1 644 ? 66.147 49.606 35.913 1.00 35.67 ? ? ? ? ? ? 644 ARG A O 1 +ATOM 4991 C CB . ARG A 1 644 ? 63.973 46.987 35.736 1.00 38.48 ? ? ? ? ? ? 644 ARG A CB 1 +ATOM 4992 C CG . ARG A 1 644 ? 63.175 46.247 36.813 1.00 38.21 ? ? ? ? ? ? 644 ARG A CG 1 +ATOM 4993 C CD . ARG A 1 644 ? 63.101 44.756 36.553 1.00 41.39 ? ? ? ? ? ? 644 ARG A CD 1 +ATOM 4994 N NE . ARG A 1 644 ? 62.998 43.966 37.786 1.00 43.97 ? ? ? ? ? ? 644 ARG A NE 1 +ATOM 4995 C CZ . ARG A 1 644 ? 63.905 43.065 38.184 1.00 44.56 ? ? ? ? ? ? 644 ARG A CZ 1 +ATOM 4996 N NH1 . ARG A 1 644 ? 64.997 42.835 37.452 1.00 43.04 ? ? ? ? ? ? 644 ARG A NH1 1 +ATOM 4997 N NH2 . ARG A 1 644 ? 63.710 42.370 39.304 1.00 43.68 ? ? ? ? ? ? 644 ARG A NH2 1 +ATOM 4998 N N . PRO A 1 645 ? 65.039 49.483 33.957 1.00 34.58 ? ? ? ? ? ? 645 PRO A N 1 +ATOM 4999 C CA . PRO A 1 645 ? 66.142 50.207 33.331 1.00 33.90 ? ? ? ? ? ? 645 PRO A CA 1 +ATOM 5000 C C . PRO A 1 645 ? 66.172 51.617 33.911 1.00 33.94 ? ? ? ? ? ? 645 PRO A C 1 +ATOM 5001 O O . PRO A 1 645 ? 65.132 52.181 34.252 1.00 35.04 ? ? ? ? ? ? 645 PRO A O 1 +ATOM 5002 C CB . PRO A 1 645 ? 65.767 50.200 31.845 1.00 32.74 ? ? ? ? ? ? 645 PRO A CB 1 +ATOM 5003 C CG . PRO A 1 645 ? 64.315 50.127 31.864 1.00 33.97 ? ? ? ? ? ? 645 PRO A CG 1 +ATOM 5004 C CD . PRO A 1 645 ? 64.027 49.124 32.956 1.00 34.62 ? ? ? ? ? ? 645 PRO A CD 1 +ATOM 5005 N N . ASN A 1 646 ? 67.372 52.160 34.054 1.00 33.66 ? ? ? ? ? ? 646 ASN A N 1 +ATOM 5006 C CA . ASN A 1 646 ? 67.585 53.481 34.605 1.00 32.35 ? ? ? ? ? ? 646 ASN A CA 1 +ATOM 5007 C C . ASN A 1 646 ? 67.208 54.509 33.562 1.00 32.96 ? ? ? ? ? ? 646 ASN A C 1 +ATOM 5008 O O . ASN A 1 646 ? 67.709 54.480 32.432 1.00 32.85 ? ? ? ? ? ? 646 ASN A O 1 +ATOM 5009 C CB . ASN A 1 646 ? 69.051 53.648 34.939 1.00 32.71 ? ? ? ? ? ? 646 ASN A CB 1 +ATOM 5010 C CG . ASN A 1 646 ? 69.914 53.558 33.710 1.00 34.42 ? ? ? ? ? ? 646 ASN A CG 1 +ATOM 5011 O OD1 . ASN A 1 646 ? 69.942 52.524 33.051 1.00 36.03 ? ? ? ? ? ? 646 ASN A OD1 1 +ATOM 5012 N ND2 . ASN A 1 646 ? 70.548 54.663 33.338 1.00 32.78 ? ? ? ? ? ? 646 ASN A ND2 1 +ATOM 5013 N N . LYS A 1 647 ? 66.356 55.443 33.971 1.00 33.98 ? ? ? ? ? ? 647 LYS A N 1 +ATOM 5014 C CA . LYS A 1 647 ? 65.866 56.514 33.115 1.00 34.07 ? ? ? ? ? ? 647 LYS A CA 1 +ATOM 5015 C C . LYS A 1 647 ? 67.054 57.140 32.458 1.00 31.86 ? ? ? ? ? ? 647 LYS A C 1 +ATOM 5016 O O . LYS A 1 647 ? 67.961 57.564 33.144 1.00 32.14 ? ? ? ? ? ? 647 LYS A O 1 +ATOM 5017 C CB . LYS A 1 647 ? 65.124 57.547 33.968 1.00 37.74 ? ? ? ? ? ? 647 LYS A CB 1 +ATOM 5018 C CG . LYS A 1 647 ? 64.252 58.564 33.197 1.00 40.33 ? ? ? ? ? ? 647 LYS A CG 1 +ATOM 5019 C CD . LYS A 1 647 ? 63.075 59.020 34.067 1.00 40.85 ? ? ? ? ? ? 647 LYS A CD 1 +ATOM 5020 C CE . LYS A 1 647 ? 62.222 60.037 33.346 1.00 42.76 ? ? ? ? ? ? 647 LYS A CE 1 +ATOM 5021 N NZ . LYS A 1 647 ? 60.891 60.309 34.004 1.00 41.95 ? ? ? ? ? ? 647 LYS A NZ 1 +ATOM 5022 N N . GLY A 1 648 ? 67.080 57.114 31.130 1.00 31.19 ? ? ? ? ? ? 648 GLY A N 1 +ATOM 5023 C CA . GLY A 1 648 ? 68.199 57.684 30.397 1.00 30.20 ? ? ? ? ? ? 648 GLY A CA 1 +ATOM 5024 C C . GLY A 1 648 ? 68.933 56.661 29.550 1.00 30.33 ? ? ? ? ? ? 648 GLY A C 1 +ATOM 5025 O O . GLY A 1 648 ? 69.557 57.009 28.546 1.00 30.62 ? ? ? ? ? ? 648 GLY A O 1 +ATOM 5026 N N . ALA A 1 649 ? 68.860 55.392 29.949 1.00 30.49 ? ? ? ? ? ? 649 ALA A N 1 +ATOM 5027 C CA . ALA A 1 649 ? 69.514 54.321 29.214 1.00 28.91 ? ? ? ? ? ? 649 ALA A CA 1 +ATOM 5028 C C . ALA A 1 649 ? 68.522 53.237 28.852 1.00 28.72 ? ? ? ? ? ? 649 ALA A C 1 +ATOM 5029 O O . ALA A 1 649 ? 67.455 53.129 29.461 1.00 29.40 ? ? ? ? ? ? 649 ALA A O 1 +ATOM 5030 C CB . ALA A 1 649 ? 70.623 53.724 30.040 1.00 30.17 ? ? ? ? ? ? 649 ALA A CB 1 +ATOM 5031 N N . ILE A 1 650 ? 68.859 52.472 27.823 1.00 27.51 ? ? ? ? ? ? 650 ILE A N 1 +ATOM 5032 C CA . ILE A 1 650 ? 68.043 51.354 27.383 1.00 27.09 ? ? ? ? ? ? 650 ILE A CA 1 +ATOM 5033 C C . ILE A 1 650 ? 68.972 50.134 27.440 1.00 27.45 ? ? ? ? ? ? 650 ILE A C 1 +ATOM 5034 O O . ILE A 1 650 ? 70.190 50.285 27.658 1.00 28.36 ? ? ? ? ? ? 650 ILE A O 1 +ATOM 5035 C CB . ILE A 1 650 ? 67.465 51.547 25.955 1.00 26.06 ? ? ? ? ? ? 650 ILE A CB 1 +ATOM 5036 C CG1 . ILE A 1 650 ? 68.562 51.616 24.913 1.00 24.58 ? ? ? ? ? ? 650 ILE A CG1 1 +ATOM 5037 C CG2 . ILE A 1 650 ? 66.617 52.800 25.894 1.00 28.18 ? ? ? ? ? ? 650 ILE A CG2 1 +ATOM 5038 C CD1 . ILE A 1 650 ? 68.010 51.678 23.514 1.00 24.48 ? ? ? ? ? ? 650 ILE A CD1 1 +ATOM 5039 N N . TYR A 1 651 ? 68.413 48.935 27.296 1.00 25.48 ? ? ? ? ? ? 651 TYR A N 1 +ATOM 5040 C CA . TYR A 1 651 ? 69.207 47.717 27.362 1.00 23.36 ? ? ? ? ? ? 651 TYR A CA 1 +ATOM 5041 C C . TYR A 1 651 ? 68.794 46.723 26.309 1.00 23.65 ? ? ? ? ? ? 651 TYR A C 1 +ATOM 5042 O O . TYR A 1 651 ? 67.605 46.550 26.043 1.00 24.30 ? ? ? ? ? ? 651 TYR A O 1 +ATOM 5043 C CB . TYR A 1 651 ? 69.133 47.099 28.760 1.00 20.61 ? ? ? ? ? ? 651 TYR A CB 1 +ATOM 5044 C CG . TYR A 1 651 ? 69.775 47.990 29.786 1.00 19.76 ? ? ? ? ? ? 651 TYR A CG 1 +ATOM 5045 C CD1 . TYR A 1 651 ? 69.063 49.046 30.359 1.00 18.41 ? ? ? ? ? ? 651 TYR A CD1 1 +ATOM 5046 C CD2 . TYR A 1 651 ? 71.130 47.857 30.103 1.00 19.87 ? ? ? ? ? ? 651 TYR A CD2 1 +ATOM 5047 C CE1 . TYR A 1 651 ? 69.679 49.953 31.210 1.00 18.69 ? ? ? ? ? ? 651 TYR A CE1 1 +ATOM 5048 C CE2 . TYR A 1 651 ? 71.762 48.767 30.959 1.00 19.22 ? ? ? ? ? ? 651 TYR A CE2 1 +ATOM 5049 C CZ . TYR A 1 651 ? 71.028 49.815 31.505 1.00 19.89 ? ? ? ? ? ? 651 TYR A CZ 1 +ATOM 5050 O OH . TYR A 1 651 ? 71.641 50.740 32.323 1.00 20.31 ? ? ? ? ? ? 651 TYR A OH 1 +ATOM 5051 N N . MET A 1 652 ? 69.788 46.100 25.687 1.00 23.67 ? ? ? ? ? ? 652 MET A N 1 +ATOM 5052 C CA . MET A 1 652 ? 69.557 45.120 24.639 1.00 24.22 ? ? ? ? ? ? 652 MET A CA 1 +ATOM 5053 C C . MET A 1 652 ? 70.613 44.026 24.752 1.00 25.45 ? ? ? ? ? ? 652 MET A C 1 +ATOM 5054 O O . MET A 1 652 ? 71.661 44.247 25.356 1.00 25.35 ? ? ? ? ? ? 652 MET A O 1 +ATOM 5055 C CB . MET A 1 652 ? 69.635 45.807 23.286 1.00 23.75 ? ? ? ? ? ? 652 MET A CB 1 +ATOM 5056 C CG . MET A 1 652 ? 68.447 46.684 23.002 1.00 21.47 ? ? ? ? ? ? 652 MET A CG 1 +ATOM 5057 S SD . MET A 1 652 ? 68.792 47.668 21.587 1.00 23.63 ? ? ? ? ? ? 652 MET A SD 1 +ATOM 5058 C CE . MET A 1 652 ? 68.364 46.574 20.229 1.00 18.18 ? ? ? ? ? ? 652 MET A CE 1 +ATOM 5059 N N . THR A 1 653 ? 70.348 42.853 24.188 1.00 25.71 ? ? ? ? ? ? 653 THR A N 1 +ATOM 5060 C CA . THR A 1 653 ? 71.299 41.752 24.275 1.00 27.07 ? ? ? ? ? ? 653 THR A CA 1 +ATOM 5061 C C . THR A 1 653 ? 71.843 41.387 22.897 1.00 28.60 ? ? ? ? ? ? 653 THR A C 1 +ATOM 5062 O O . THR A 1 653 ? 71.362 41.899 21.882 1.00 29.59 ? ? ? ? ? ? 653 THR A O 1 +ATOM 5063 C CB . THR A 1 653 ? 70.636 40.524 24.896 1.00 27.34 ? ? ? ? ? ? 653 THR A CB 1 +ATOM 5064 O OG1 . THR A 1 653 ? 69.528 40.127 24.086 1.00 28.51 ? ? ? ? ? ? 653 THR A OG1 1 +ATOM 5065 C CG2 . THR A 1 653 ? 70.101 40.856 26.275 1.00 27.94 ? ? ? ? ? ? 653 THR A CG2 1 +ATOM 5066 N N . TYR A 1 654 ? 72.807 40.472 22.848 1.00 29.18 ? ? ? ? ? ? 654 TYR A N 1 +ATOM 5067 C CA . TYR A 1 654 ? 73.398 40.066 21.570 1.00 29.40 ? ? ? ? ? ? 654 TYR A CA 1 +ATOM 5068 C C . TYR A 1 654 ? 72.996 38.645 21.134 1.00 30.18 ? ? ? ? ? ? 654 TYR A C 1 +ATOM 5069 O O . TYR A 1 654 ? 73.582 38.077 20.209 1.00 30.31 ? ? ? ? ? ? 654 TYR A O 1 +ATOM 5070 C CB . TYR A 1 654 ? 74.930 40.224 21.609 1.00 27.21 ? ? ? ? ? ? 654 TYR A CB 1 +ATOM 5071 C CG . TYR A 1 654 ? 75.609 39.274 22.561 1.00 26.68 ? ? ? ? ? ? 654 TYR A CG 1 +ATOM 5072 C CD1 . TYR A 1 654 ? 75.249 39.231 23.916 1.00 25.83 ? ? ? ? ? ? 654 TYR A CD1 1 +ATOM 5073 C CD2 . TYR A 1 654 ? 76.532 38.333 22.091 1.00 25.07 ? ? ? ? ? ? 654 TYR A CD2 1 +ATOM 5074 C CE1 . TYR A 1 654 ? 75.779 38.261 24.767 1.00 24.83 ? ? ? ? ? ? 654 TYR A CE1 1 +ATOM 5075 C CE2 . TYR A 1 654 ? 77.064 37.364 22.934 1.00 22.66 ? ? ? ? ? ? 654 TYR A CE2 1 +ATOM 5076 C CZ . TYR A 1 654 ? 76.682 37.333 24.261 1.00 24.33 ? ? ? ? ? ? 654 TYR A CZ 1 +ATOM 5077 O OH . TYR A 1 654 ? 77.178 36.360 25.084 1.00 25.78 ? ? ? ? ? ? 654 TYR A OH 1 +ATOM 5078 N N . GLN A 1 655 ? 71.964 38.095 21.765 1.00 30.85 ? ? ? ? ? ? 655 GLN A N 1 +ATOM 5079 C CA . GLN A 1 655 ? 71.508 36.744 21.433 1.00 32.61 ? ? ? ? ? ? 655 GLN A CA 1 +ATOM 5080 C C . GLN A 1 655 ? 70.536 36.684 20.246 1.00 33.46 ? ? ? ? ? ? 655 GLN A C 1 +ATOM 5081 O O . GLN A 1 655 ? 70.173 35.598 19.788 1.00 33.56 ? ? ? ? ? ? 655 GLN A O 1 +ATOM 5082 C CB . GLN A 1 655 ? 70.844 36.094 22.656 1.00 32.28 ? ? ? ? ? ? 655 GLN A CB 1 +ATOM 5083 C CG . GLN A 1 655 ? 71.750 35.972 23.879 1.00 32.91 ? ? ? ? ? ? 655 GLN A CG 1 +ATOM 5084 C CD . GLN A 1 655 ? 71.166 36.649 25.106 1.00 34.03 ? ? ? ? ? ? 655 GLN A CD 1 +ATOM 5085 O OE1 . GLN A 1 655 ? 71.739 37.592 25.637 1.00 34.51 ? ? ? ? ? ? 655 GLN A OE1 1 +ATOM 5086 N NE2 . GLN A 1 655 ? 70.003 36.197 25.537 1.00 33.94 ? ? ? ? ? ? 655 GLN A NE2 1 +ATOM 5087 N N . TRP A 1 656 ? 70.163 37.844 19.708 1.00 33.59 ? ? ? ? ? ? 656 TRP A N 1 +ATOM 5088 C CA . TRP A 1 656 ? 69.185 37.888 18.621 1.00 31.96 ? ? ? ? ? ? 656 TRP A CA 1 +ATOM 5089 C C . TRP A 1 656 ? 69.707 38.134 17.213 1.00 30.95 ? ? ? ? ? ? 656 TRP A C 1 +ATOM 5090 O O . TRP A 1 656 ? 70.474 39.062 16.975 1.00 31.13 ? ? ? ? ? ? 656 TRP A O 1 +ATOM 5091 C CB . TRP A 1 656 ? 68.080 38.862 18.997 1.00 30.49 ? ? ? ? ? ? 656 TRP A CB 1 +ATOM 5092 C CG . TRP A 1 656 ? 67.532 38.490 20.321 1.00 28.34 ? ? ? ? ? ? 656 TRP A CG 1 +ATOM 5093 C CD1 . TRP A 1 656 ? 67.805 39.085 21.516 1.00 28.53 ? ? ? ? ? ? 656 TRP A CD1 1 +ATOM 5094 C CD2 . TRP A 1 656 ? 66.740 37.346 20.614 1.00 27.82 ? ? ? ? ? ? 656 TRP A CD2 1 +ATOM 5095 N NE1 . TRP A 1 656 ? 67.248 38.370 22.543 1.00 26.34 ? ? ? ? ? ? 656 TRP A NE1 1 +ATOM 5096 C CE2 . TRP A 1 656 ? 66.585 37.293 22.017 1.00 28.09 ? ? ? ? ? ? 656 TRP A CE2 1 +ATOM 5097 C CE3 . TRP A 1 656 ? 66.145 36.351 19.830 1.00 26.81 ? ? ? ? ? ? 656 TRP A CE3 1 +ATOM 5098 C CZ2 . TRP A 1 656 ? 65.861 36.281 22.649 1.00 27.51 ? ? ? ? ? ? 656 TRP A CZ2 1 +ATOM 5099 C CZ3 . TRP A 1 656 ? 65.433 35.354 20.456 1.00 25.70 ? ? ? ? ? ? 656 TRP A CZ3 1 +ATOM 5100 C CH2 . TRP A 1 656 ? 65.295 35.323 21.852 1.00 26.75 ? ? ? ? ? ? 656 TRP A CH2 1 +ATOM 5101 N N . TRP A 1 657 ? 69.258 37.292 16.285 1.00 29.61 ? ? ? ? ? ? 657 TRP A N 1 +ATOM 5102 C CA . TRP A 1 657 ? 69.695 37.365 14.900 1.00 27.54 ? ? ? ? ? ? 657 TRP A CA 1 +ATOM 5103 C C . TRP A 1 657 ? 69.025 38.467 14.129 1.00 27.43 ? ? ? ? ? ? 657 TRP A C 1 +ATOM 5104 O O . TRP A 1 657 ? 69.669 39.109 13.286 1.00 27.61 ? ? ? ? ? ? 657 TRP A O 1 +ATOM 5105 C CB . TRP A 1 657 ? 69.528 36.011 14.206 1.00 25.81 ? ? ? ? ? ? 657 TRP A CB 1 +ATOM 5106 C CG . TRP A 1 657 ? 70.405 34.952 14.808 1.00 24.77 ? ? ? ? ? ? 657 TRP A CG 1 +ATOM 5107 C CD1 . TRP A 1 657 ? 71.155 35.069 15.939 1.00 24.80 ? ? ? ? ? ? 657 TRP A CD1 1 +ATOM 5108 C CD2 . TRP A 1 657 ? 70.598 33.610 14.343 1.00 26.06 ? ? ? ? ? ? 657 TRP A CD2 1 +ATOM 5109 N NE1 . TRP A 1 657 ? 71.793 33.892 16.218 1.00 25.70 ? ? ? ? ? ? 657 TRP A NE1 1 +ATOM 5110 C CE2 . TRP A 1 657 ? 71.473 32.971 15.253 1.00 26.91 ? ? ? ? ? ? 657 TRP A CE2 1 +ATOM 5111 C CE3 . TRP A 1 657 ? 70.121 32.876 13.243 1.00 25.41 ? ? ? ? ? ? 657 TRP A CE3 1 +ATOM 5112 C CZ2 . TRP A 1 657 ? 71.879 31.633 15.108 1.00 27.42 ? ? ? ? ? ? 657 TRP A CZ2 1 +ATOM 5113 C CZ3 . TRP A 1 657 ? 70.529 31.543 13.098 1.00 24.94 ? ? ? ? ? ? 657 TRP A CZ3 1 +ATOM 5114 C CH2 . TRP A 1 657 ? 71.396 30.940 14.025 1.00 25.23 ? ? ? ? ? ? 657 TRP A CH2 1 +ATOM 5115 N N . ILE A 1 658 ? 67.750 38.723 14.447 1.00 26.99 ? ? ? ? ? ? 658 ILE A N 1 +ATOM 5116 C CA . ILE A 1 658 ? 66.985 39.783 13.776 1.00 24.25 ? ? ? ? ? ? 658 ILE A CA 1 +ATOM 5117 C C . ILE A 1 658 ? 67.303 41.153 14.308 1.00 22.49 ? ? ? ? ? ? 658 ILE A C 1 +ATOM 5118 O O . ILE A 1 658 ? 67.705 42.030 13.575 1.00 23.25 ? ? ? ? ? ? 658 ILE A O 1 +ATOM 5119 C CB . ILE A 1 658 ? 65.486 39.537 13.827 1.00 23.71 ? ? ? ? ? ? 658 ILE A CB 1 +ATOM 5120 C CG1 . ILE A 1 658 ? 65.165 38.315 12.973 1.00 23.90 ? ? ? ? ? ? 658 ILE A CG1 1 +ATOM 5121 C CG2 . ILE A 1 658 ? 64.722 40.750 13.321 1.00 24.11 ? ? ? ? ? ? 658 ILE A CG2 1 +ATOM 5122 C CD1 . ILE A 1 658 ? 65.965 38.244 11.681 1.00 22.88 ? ? ? ? ? ? 658 ILE A CD1 1 +ATOM 5123 N N . GLY A 1 659 ? 67.116 41.363 15.588 1.00 22.90 ? ? ? ? ? ? 659 GLY A N 1 +ATOM 5124 C CA . GLY A 1 659 ? 67.445 42.671 16.114 1.00 24.94 ? ? ? ? ? ? 659 GLY A CA 1 +ATOM 5125 C C . GLY A 1 659 ? 68.843 42.574 16.665 1.00 24.66 ? ? ? ? ? ? 659 GLY A C 1 +ATOM 5126 O O . GLY A 1 659 ? 69.018 42.668 17.879 1.00 25.34 ? ? ? ? ? ? 659 GLY A O 1 +ATOM 5127 N N . ALA A 1 660 ? 69.828 42.371 15.790 1.00 24.72 ? ? ? ? ? ? 660 ALA A N 1 +ATOM 5128 C CA . ALA A 1 660 ? 71.212 42.214 16.227 1.00 26.10 ? ? ? ? ? ? 660 ALA A CA 1 +ATOM 5129 C C . ALA A 1 660 ? 71.811 43.511 16.767 1.00 27.95 ? ? ? ? ? ? 660 ALA A C 1 +ATOM 5130 O O . ALA A 1 660 ? 72.316 44.344 15.997 1.00 25.78 ? ? ? ? ? ? 660 ALA A O 1 +ATOM 5131 C CB . ALA A 1 660 ? 72.078 41.634 15.101 1.00 24.35 ? ? ? ? ? ? 660 ALA A CB 1 +ATOM 5132 N N . CYS A 1 661 ? 71.816 43.637 18.098 1.00 29.28 ? ? ? ? ? ? 661 CYS A N 1 +ATOM 5133 C CA . CYS A 1 661 ? 72.328 44.828 18.754 1.00 31.74 ? ? ? ? ? ? 661 CYS A CA 1 +ATOM 5134 C C . CYS A 1 661 ? 73.734 45.164 18.279 1.00 34.03 ? ? ? ? ? ? 661 CYS A C 1 +ATOM 5135 O O . CYS A 1 661 ? 74.056 46.337 18.066 1.00 35.55 ? ? ? ? ? ? 661 CYS A O 1 +ATOM 5136 C CB . CYS A 1 661 ? 72.292 44.670 20.275 1.00 31.45 ? ? ? ? ? ? 661 CYS A CB 1 +ATOM 5137 S SG . CYS A 1 661 ? 73.631 43.692 20.983 1.00 31.20 ? ? ? ? ? ? 661 CYS A SG 1 +ATOM 5138 N N . ASN A 1 662 ? 74.545 44.133 18.039 1.00 35.98 ? ? ? ? ? ? 662 ASN A N 1 +ATOM 5139 C CA . ASN A 1 662 ? 75.928 44.312 17.576 1.00 36.68 ? ? ? ? ? ? 662 ASN A CA 1 +ATOM 5140 C C . ASN A 1 662 ? 76.029 44.996 16.217 1.00 36.84 ? ? ? ? ? ? 662 ASN A C 1 +ATOM 5141 O O . ASN A 1 662 ? 77.118 45.326 15.746 1.00 36.91 ? ? ? ? ? ? 662 ASN A O 1 +ATOM 5142 C CB . ASN A 1 662 ? 76.662 42.978 17.560 1.00 36.72 ? ? ? ? ? ? 662 ASN A CB 1 +ATOM 5143 C CG . ASN A 1 662 ? 77.190 42.609 18.921 1.00 37.62 ? ? ? ? ? ? 662 ASN A CG 1 +ATOM 5144 O OD1 . ASN A 1 662 ? 77.714 43.462 19.625 1.00 38.45 ? ? ? ? ? ? 662 ASN A OD1 1 +ATOM 5145 N ND2 . ASN A 1 662 ? 77.030 41.347 19.320 1.00 37.75 ? ? ? ? ? ? 662 ASN A ND2 1 +ATOM 5146 N N . GLU A 1 663 ? 74.875 45.181 15.588 1.00 36.32 ? ? ? ? ? ? 663 GLU A N 1 +ATOM 5147 C CA . GLU A 1 663 ? 74.774 45.846 14.299 1.00 35.91 ? ? ? ? ? ? 663 GLU A CA 1 +ATOM 5148 C C . GLU A 1 663 ? 75.074 47.319 14.521 1.00 34.60 ? ? ? ? ? ? 663 GLU A C 1 +ATOM 5149 O O . GLU A 1 663 ? 75.645 47.985 13.667 1.00 33.79 ? ? ? ? ? ? 663 GLU A O 1 +ATOM 5150 C CB . GLU A 1 663 ? 73.332 45.741 13.771 1.00 36.28 ? ? ? ? ? ? 663 GLU A CB 1 +ATOM 5151 C CG . GLU A 1 663 ? 73.159 44.904 12.520 1.00 35.65 ? ? ? ? ? ? 663 GLU A CG 1 +ATOM 5152 C CD . GLU A 1 663 ? 74.091 45.332 11.394 1.00 35.61 ? ? ? ? ? ? 663 GLU A CD 1 +ATOM 5153 O OE1 . GLU A 1 663 ? 74.373 46.553 11.243 1.00 34.67 ? ? ? ? ? ? 663 GLU A OE1 1 +ATOM 5154 O OE2 . GLU A 1 663 ? 74.535 44.426 10.663 1.00 32.89 ? ? ? ? ? ? 663 GLU A OE2 1 +ATOM 5155 N N . LEU A 1 664 ? 74.686 47.793 15.699 1.00 33.62 ? ? ? ? ? ? 664 LEU A N 1 +ATOM 5156 C CA . LEU A 1 664 ? 74.815 49.180 16.079 1.00 32.71 ? ? ? ? ? ? 664 LEU A CA 1 +ATOM 5157 C C . LEU A 1 664 ? 76.033 49.523 16.890 1.00 34.15 ? ? ? ? ? ? 664 LEU A C 1 +ATOM 5158 O O . LEU A 1 664 ? 76.358 50.703 17.029 1.00 35.43 ? ? ? ? ? ? 664 LEU A O 1 +ATOM 5159 C CB . LEU A 1 664 ? 73.616 49.593 16.931 1.00 30.52 ? ? ? ? ? ? 664 LEU A CB 1 +ATOM 5160 C CG . LEU A 1 664 ? 72.165 49.286 16.587 1.00 26.93 ? ? ? ? ? ? 664 LEU A CG 1 +ATOM 5161 C CD1 . LEU A 1 664 ? 71.339 50.409 17.172 1.00 25.58 ? ? ? ? ? ? 664 LEU A CD1 1 +ATOM 5162 C CD2 . LEU A 1 664 ? 71.953 49.224 15.107 1.00 25.83 ? ? ? ? ? ? 664 LEU A CD2 1 +ATOM 5163 N N . VAL A 1 665 ? 76.659 48.533 17.513 1.00 34.83 ? ? ? ? ? ? 665 VAL A N 1 +ATOM 5164 C CA . VAL A 1 665 ? 77.804 48.856 18.354 1.00 34.43 ? ? ? ? ? ? 665 VAL A CA 1 +ATOM 5165 C C . VAL A 1 665 ? 79.104 49.102 17.586 1.00 34.76 ? ? ? ? ? ? 665 VAL A C 1 +ATOM 5166 O O . VAL A 1 665 ? 79.427 48.385 16.640 1.00 33.13 ? ? ? ? ? ? 665 VAL A O 1 +ATOM 5167 C CB . VAL A 1 665 ? 77.976 47.836 19.547 1.00 33.47 ? ? ? ? ? ? 665 VAL A CB 1 +ATOM 5168 C CG1 . VAL A 1 665 ? 79.017 48.334 20.548 1.00 30.61 ? ? ? ? ? ? 665 VAL A CG1 1 +ATOM 5169 C CG2 . VAL A 1 665 ? 76.645 47.636 20.277 1.00 31.05 ? ? ? ? ? ? 665 VAL A CG2 1 +ATOM 5170 N N . THR A 1 666 ? 79.751 50.218 17.928 1.00 36.16 ? ? ? ? ? ? 666 THR A N 1 +ATOM 5171 C CA . THR A 1 666 ? 81.032 50.629 17.351 1.00 36.93 ? ? ? ? ? ? 666 THR A CA 1 +ATOM 5172 C C . THR A 1 666 ? 82.096 49.963 18.197 1.00 37.81 ? ? ? ? ? ? 666 THR A C 1 +ATOM 5173 O O . THR A 1 666 ? 82.053 50.061 19.430 1.00 39.00 ? ? ? ? ? ? 666 THR A O 1 +ATOM 5174 C CB . THR A 1 666 ? 81.293 52.147 17.528 1.00 36.55 ? ? ? ? ? ? 666 THR A CB 1 +ATOM 5175 O OG1 . THR A 1 666 ? 80.373 52.919 16.741 1.00 36.16 ? ? ? ? ? ? 666 THR A OG1 1 +ATOM 5176 C CG2 . THR A 1 666 ? 82.723 52.477 17.129 1.00 35.61 ? ? ? ? ? ? 666 THR A CG2 1 +ATOM 5177 N N . GLU A 1 667 ? 83.065 49.321 17.561 1.00 37.88 ? ? ? ? ? ? 667 GLU A N 1 +ATOM 5178 C CA . GLU A 1 667 ? 84.119 48.680 18.326 1.00 38.29 ? ? ? ? ? ? 667 GLU A CA 1 +ATOM 5179 C C . GLU A 1 667 ? 85.092 49.727 18.851 1.00 38.24 ? ? ? ? ? ? 667 GLU A C 1 +ATOM 5180 O O . GLU A 1 667 ? 85.803 50.385 18.094 1.00 39.36 ? ? ? ? ? ? 667 GLU A O 1 +ATOM 5181 C CB . GLU A 1 667 ? 84.848 47.624 17.495 1.00 39.22 ? ? ? ? ? ? 667 GLU A CB 1 +ATOM 5182 C CG . GLU A 1 667 ? 85.226 48.056 16.081 1.00 40.64 ? ? ? ? ? ? 667 GLU A CG 1 +ATOM 5183 C CD . GLU A 1 667 ? 86.081 47.024 15.379 1.00 41.61 ? ? ? ? ? ? 667 GLU A CD 1 +ATOM 5184 O OE1 . GLU A 1 667 ? 85.520 46.114 14.719 1.00 42.27 ? ? ? ? ? ? 667 GLU A OE1 1 +ATOM 5185 O OE2 . GLU A 1 667 ? 87.321 47.117 15.511 1.00 43.22 ? ? ? ? ? ? 667 GLU A OE2 1 +ATOM 5186 N N . ASN A 1 668 ? 85.062 49.947 20.151 1.00 37.82 ? ? ? ? ? ? 668 ASN A N 1 +ATOM 5187 C CA . ASN A 1 668 ? 85.963 50.916 20.745 1.00 37.37 ? ? ? ? ? ? 668 ASN A CA 1 +ATOM 5188 C C . ASN A 1 668 ? 86.914 50.034 21.498 1.00 37.51 ? ? ? ? ? ? 668 ASN A C 1 +ATOM 5189 O O . ASN A 1 668 ? 86.847 49.930 22.729 1.00 39.11 ? ? ? ? ? ? 668 ASN A O 1 +ATOM 5190 C CB . ASN A 1 668 ? 85.210 51.867 21.678 1.00 37.68 ? ? ? ? ? ? 668 ASN A CB 1 +ATOM 5191 C CG . ASN A 1 668 ? 84.198 52.727 20.932 1.00 37.79 ? ? ? ? ? ? 668 ASN A CG 1 +ATOM 5192 O OD1 . ASN A 1 668 ? 84.460 53.186 19.825 1.00 38.86 ? ? ? ? ? ? 668 ASN A OD1 1 +ATOM 5193 N ND2 . ASN A 1 668 ? 83.032 52.919 21.522 1.00 37.41 ? ? ? ? ? ? 668 ASN A ND2 1 +ATOM 5194 N N . LEU A 1 669 ? 87.688 49.281 20.716 1.00 36.21 ? ? ? ? ? ? 669 LEU A N 1 +ATOM 5195 C CA . LEU A 1 669 ? 88.670 48.343 21.233 1.00 34.94 ? ? ? ? ? ? 669 LEU A CA 1 +ATOM 5196 C C . LEU A 1 669 ? 89.566 49.045 22.215 1.00 34.79 ? ? ? ? ? ? 669 LEU A C 1 +ATOM 5197 O O . LEU A 1 669 ? 90.184 50.058 21.900 1.00 35.33 ? ? ? ? ? ? 669 LEU A O 1 +ATOM 5198 C CB . LEU A 1 669 ? 89.511 47.749 20.103 1.00 33.36 ? ? ? ? ? ? 669 LEU A CB 1 +ATOM 5199 C CG . LEU A 1 669 ? 88.732 47.104 18.961 1.00 31.88 ? ? ? ? ? ? 669 LEU A CG 1 +ATOM 5200 C CD1 . LEU A 1 669 ? 89.708 46.505 17.991 1.00 31.42 ? ? ? ? ? ? 669 LEU A CD1 1 +ATOM 5201 C CD2 . LEU A 1 669 ? 87.780 46.054 19.495 1.00 31.59 ? ? ? ? ? ? 669 LEU A CD2 1 +ATOM 5202 N N . SER A 1 670 ? 89.581 48.533 23.431 1.00 35.92 ? ? ? ? ? ? 670 SER A N 1 +ATOM 5203 C CA . SER A 1 670 ? 90.405 49.106 24.467 1.00 36.99 ? ? ? ? ? ? 670 SER A CA 1 +ATOM 5204 C C . SER A 1 670 ? 91.853 49.067 23.985 1.00 37.69 ? ? ? ? ? ? 670 SER A C 1 +ATOM 5205 O O . SER A 1 670 ? 92.309 48.082 23.401 1.00 37.55 ? ? ? ? ? ? 670 SER A O 1 +ATOM 5206 C CB . SER A 1 670 ? 90.208 48.338 25.786 1.00 37.12 ? ? ? ? ? ? 670 SER A CB 1 +ATOM 5207 O OG . SER A 1 670 ? 90.029 46.942 25.577 1.00 36.39 ? ? ? ? ? ? 670 SER A OG 1 +ATOM 5208 N N . PRO A 1 671 ? 92.583 50.161 24.187 1.00 38.14 ? ? ? ? ? ? 671 PRO A N 1 +ATOM 5209 C CA . PRO A 1 671 ? 93.979 50.203 23.752 1.00 38.37 ? ? ? ? ? ? 671 PRO A CA 1 +ATOM 5210 C C . PRO A 1 671 ? 94.840 49.093 24.337 1.00 38.19 ? ? ? ? ? ? 671 PRO A C 1 +ATOM 5211 O O . PRO A 1 671 ? 95.823 48.685 23.717 1.00 39.28 ? ? ? ? ? ? 671 PRO A O 1 +ATOM 5212 C CB . PRO A 1 671 ? 94.447 51.585 24.231 1.00 38.44 ? ? ? ? ? ? 671 PRO A CB 1 +ATOM 5213 C CG . PRO A 1 671 ? 93.543 51.880 25.407 1.00 39.43 ? ? ? ? ? ? 671 PRO A CG 1 +ATOM 5214 C CD . PRO A 1 671 ? 92.204 51.395 24.894 1.00 38.47 ? ? ? ? ? ? 671 PRO A CD 1 +ATOM 5215 N N . ILE A 1 672 ? 94.453 48.565 25.496 1.00 37.67 ? ? ? ? ? ? 672 ILE A N 1 +ATOM 5216 C CA . ILE A 1 672 ? 95.276 47.535 26.131 1.00 37.49 ? ? ? ? ? ? 672 ILE A CA 1 +ATOM 5217 C C . ILE A 1 672 ? 95.057 46.063 25.749 1.00 36.67 ? ? ? ? ? ? 672 ILE A C 1 +ATOM 5218 O O . ILE A 1 672 ? 95.997 45.390 25.326 1.00 35.87 ? ? ? ? ? ? 672 ILE A O 1 +ATOM 5219 C CB . ILE A 1 672 ? 95.305 47.708 27.665 1.00 36.97 ? ? ? ? ? ? 672 ILE A CB 1 +ATOM 5220 C CG1 . ILE A 1 672 ? 95.648 49.163 28.015 1.00 34.94 ? ? ? ? ? ? 672 ILE A CG1 1 +ATOM 5221 C CG2 . ILE A 1 672 ? 96.362 46.784 28.261 1.00 37.01 ? ? ? ? ? ? 672 ILE A CG2 1 +ATOM 5222 C CD1 . ILE A 1 672 ? 95.897 49.404 29.472 1.00 33.87 ? ? ? ? ? ? 672 ILE A CD1 1 +ATOM 5223 N N . THR A 1 673 ? 93.839 45.557 25.939 1.00 36.51 ? ? ? ? ? ? 673 THR A N 1 +ATOM 5224 C CA . THR A 1 673 ? 93.511 44.164 25.605 1.00 34.14 ? ? ? ? ? ? 673 THR A CA 1 +ATOM 5225 C C . THR A 1 673 ? 92.760 44.044 24.298 1.00 33.94 ? ? ? ? ? ? 673 THR A C 1 +ATOM 5226 O O . THR A 1 673 ? 92.437 42.947 23.873 1.00 34.40 ? ? ? ? ? ? 673 THR A O 1 +ATOM 5227 C CB . THR A 1 673 ? 92.617 43.541 26.656 1.00 32.41 ? ? ? ? ? ? 673 THR A CB 1 +ATOM 5228 O OG1 . THR A 1 673 ? 91.503 44.409 26.893 1.00 30.73 ? ? ? ? ? ? 673 THR A OG1 1 +ATOM 5229 C CG2 . THR A 1 673 ? 93.380 43.333 27.926 1.00 32.49 ? ? ? ? ? ? 673 THR A CG2 1 +ATOM 5230 N N . LYS A 1 674 ? 92.476 45.175 23.668 1.00 34.47 ? ? ? ? ? ? 674 LYS A N 1 +ATOM 5231 C CA . LYS A 1 674 ? 91.737 45.186 22.423 1.00 34.52 ? ? ? ? ? ? 674 LYS A CA 1 +ATOM 5232 C C . LYS A 1 674 ? 90.371 44.585 22.675 1.00 35.37 ? ? ? ? ? ? 674 LYS A C 1 +ATOM 5233 O O . LYS A 1 674 ? 90.019 43.545 22.099 1.00 36.38 ? ? ? ? ? ? 674 LYS A O 1 +ATOM 5234 C CB . LYS A 1 674 ? 92.485 44.397 21.355 1.00 34.53 ? ? ? ? ? ? 674 LYS A CB 1 +ATOM 5235 C CG . LYS A 1 674 ? 93.194 45.278 20.364 1.00 34.22 ? ? ? ? ? ? 674 LYS A CG 1 +ATOM 5236 C CD . LYS A 1 674 ? 94.133 46.214 21.053 1.00 34.85 ? ? ? ? ? ? 674 LYS A CD 1 +ATOM 5237 C CE . LYS A 1 674 ? 94.112 47.533 20.348 1.00 36.35 ? ? ? ? ? ? 674 LYS A CE 1 +ATOM 5238 N NZ . LYS A 1 674 ? 94.289 47.332 18.874 1.00 39.98 ? ? ? ? ? ? 674 LYS A NZ 1 +ATOM 5239 N N . THR A 1 675 ? 89.608 45.249 23.539 1.00 34.83 ? ? ? ? ? ? 675 THR A N 1 +ATOM 5240 C CA . THR A 1 675 ? 88.272 44.796 23.904 1.00 34.26 ? ? ? ? ? ? 675 THR A CA 1 +ATOM 5241 C C . THR A 1 675 ? 87.211 45.850 23.605 1.00 34.54 ? ? ? ? ? ? 675 THR A C 1 +ATOM 5242 O O . THR A 1 675 ? 87.349 47.023 23.966 1.00 34.10 ? ? ? ? ? ? 675 THR A O 1 +ATOM 5243 C CB . THR A 1 675 ? 88.202 44.435 25.389 1.00 33.76 ? ? ? ? ? ? 675 THR A CB 1 +ATOM 5244 O OG1 . THR A 1 675 ? 89.302 43.580 25.722 1.00 34.95 ? ? ? ? ? ? 675 THR A OG1 1 +ATOM 5245 C CG2 . THR A 1 675 ? 86.901 43.722 25.703 1.00 33.59 ? ? ? ? ? ? 675 THR A CG2 1 +ATOM 5246 N N . PRO A 1 676 ? 86.170 45.460 22.865 1.00 35.13 ? ? ? ? ? ? 676 PRO A N 1 +ATOM 5247 C CA . PRO A 1 676 ? 85.065 46.349 22.494 1.00 35.19 ? ? ? ? ? ? 676 PRO A CA 1 +ATOM 5248 C C . PRO A 1 676 ? 84.239 46.894 23.672 1.00 34.80 ? ? ? ? ? ? 676 PRO A C 1 +ATOM 5249 O O . PRO A 1 676 ? 84.010 46.195 24.669 1.00 31.65 ? ? ? ? ? ? 676 PRO A O 1 +ATOM 5250 C CB . PRO A 1 676 ? 84.233 45.480 21.550 1.00 35.26 ? ? ? ? ? ? 676 PRO A CB 1 +ATOM 5251 C CG . PRO A 1 676 ? 84.647 44.078 21.908 1.00 34.86 ? ? ? ? ? ? 676 PRO A CG 1 +ATOM 5252 C CD . PRO A 1 676 ? 86.090 44.191 22.126 1.00 34.66 ? ? ? ? ? ? 676 PRO A CD 1 +ATOM 5253 N N . GLU A 1 677 ? 83.794 48.150 23.529 1.00 35.21 ? ? ? ? ? ? 677 GLU A N 1 +ATOM 5254 C CA . GLU A 1 677 ? 82.993 48.835 24.551 1.00 35.06 ? ? ? ? ? ? 677 GLU A CA 1 +ATOM 5255 C C . GLU A 1 677 ? 81.489 48.586 24.368 1.00 34.67 ? ? ? ? ? ? 677 GLU A C 1 +ATOM 5256 O O . GLU A 1 677 ? 80.673 49.521 24.297 1.00 33.75 ? ? ? ? ? ? 677 GLU A O 1 +ATOM 5257 C CB . GLU A 1 677 ? 83.301 50.344 24.576 1.00 35.27 ? ? ? ? ? ? 677 GLU A CB 1 +ATOM 5258 C CG . GLU A 1 677 ? 82.781 51.038 25.841 1.00 34.49 ? ? ? ? ? ? 677 GLU A CG 1 +ATOM 5259 C CD . GLU A 1 677 ? 83.307 52.440 26.013 1.00 34.12 ? ? ? ? ? ? 677 GLU A CD 1 +ATOM 5260 O OE1 . GLU A 1 677 ? 82.988 53.277 25.147 1.00 35.83 ? ? ? ? ? ? 677 GLU A OE1 1 +ATOM 5261 O OE2 . GLU A 1 677 ? 84.011 52.718 27.018 1.00 32.51 ? ? ? ? ? ? 677 GLU A OE2 1 +ATOM 5262 N N . TYR A 1 678 ? 81.147 47.300 24.361 1.00 33.87 ? ? ? ? ? ? 678 TYR A N 1 +ATOM 5263 C CA . TYR A 1 678 ? 79.787 46.815 24.192 1.00 32.54 ? ? ? ? ? ? 678 TYR A CA 1 +ATOM 5264 C C . TYR A 1 678 ? 78.767 47.402 25.182 1.00 33.08 ? ? ? ? ? ? 678 TYR A C 1 +ATOM 5265 O O . TYR A 1 678 ? 77.565 47.302 24.943 1.00 32.93 ? ? ? ? ? ? 678 TYR A O 1 +ATOM 5266 C CB . TYR A 1 678 ? 79.767 45.296 24.367 1.00 31.33 ? ? ? ? ? ? 678 TYR A CB 1 +ATOM 5267 C CG . TYR A 1 678 ? 80.519 44.441 23.354 1.00 29.91 ? ? ? ? ? ? 678 TYR A CG 1 +ATOM 5268 C CD1 . TYR A 1 678 ? 80.068 44.306 22.029 1.00 28.72 ? ? ? ? ? ? 678 TYR A CD1 1 +ATOM 5269 C CD2 . TYR A 1 678 ? 81.571 43.629 23.773 1.00 28.98 ? ? ? ? ? ? 678 TYR A CD2 1 +ATOM 5270 C CE1 . TYR A 1 678 ? 80.630 43.373 21.162 1.00 27.83 ? ? ? ? ? ? 678 TYR A CE1 1 +ATOM 5271 C CE2 . TYR A 1 678 ? 82.141 42.691 22.926 1.00 29.08 ? ? ? ? ? ? 678 TYR A CE2 1 +ATOM 5272 C CZ . TYR A 1 678 ? 81.669 42.553 21.620 1.00 29.78 ? ? ? ? ? ? 678 TYR A CZ 1 +ATOM 5273 O OH . TYR A 1 678 ? 82.208 41.549 20.827 1.00 27.11 ? ? ? ? ? ? 678 TYR A OH 1 +ATOM 5274 N N . LYS A 1 679 ? 79.232 47.990 26.286 1.00 33.33 ? ? ? ? ? ? 679 LYS A N 1 +ATOM 5275 C CA . LYS A 1 679 ? 78.338 48.541 27.315 1.00 34.12 ? ? ? ? ? ? 679 LYS A CA 1 +ATOM 5276 C C . LYS A 1 679 ? 77.892 50.001 27.186 1.00 34.98 ? ? ? ? ? ? 679 LYS A C 1 +ATOM 5277 O O . LYS A 1 679 ? 77.162 50.507 28.048 1.00 35.37 ? ? ? ? ? ? 679 LYS A O 1 +ATOM 5278 C CB . LYS A 1 679 ? 78.948 48.348 28.712 1.00 34.32 ? ? ? ? ? ? 679 LYS A CB 1 +ATOM 5279 C CG . LYS A 1 679 ? 78.949 46.918 29.239 1.00 33.60 ? ? ? ? ? ? 679 LYS A CG 1 +ATOM 5280 C CD . LYS A 1 679 ? 77.603 46.527 29.798 1.00 33.47 ? ? ? ? ? ? 679 LYS A CD 1 +ATOM 5281 C CE . LYS A 1 679 ? 77.577 45.052 30.171 1.00 33.04 ? ? ? ? ? ? 679 LYS A CE 1 +ATOM 5282 N NZ . LYS A 1 679 ? 77.866 44.178 29.002 1.00 32.84 ? ? ? ? ? ? 679 LYS A NZ 1 +ATOM 5283 N N . TYR A 1 680 ? 78.325 50.691 26.140 1.00 35.76 ? ? ? ? ? ? 680 TYR A N 1 +ATOM 5284 C CA . TYR A 1 680 ? 77.942 52.087 25.974 1.00 35.16 ? ? ? ? ? ? 680 TYR A CA 1 +ATOM 5285 C C . TYR A 1 680 ? 77.836 52.388 24.490 1.00 35.33 ? ? ? ? ? ? 680 TYR A C 1 +ATOM 5286 O O . TYR A 1 680 ? 78.831 52.353 23.763 1.00 35.12 ? ? ? ? ? ? 680 TYR A O 1 +ATOM 5287 C CB . TYR A 1 680 ? 78.986 53.002 26.638 1.00 34.23 ? ? ? ? ? ? 680 TYR A CB 1 +ATOM 5288 C CG . TYR A 1 680 ? 78.462 54.360 27.070 1.00 34.99 ? ? ? ? ? ? 680 TYR A CG 1 +ATOM 5289 C CD1 . TYR A 1 680 ? 78.290 55.402 26.149 1.00 34.53 ? ? ? ? ? ? 680 TYR A CD1 1 +ATOM 5290 C CD2 . TYR A 1 680 ? 78.126 54.605 28.410 1.00 35.71 ? ? ? ? ? ? 680 TYR A CD2 1 +ATOM 5291 C CE1 . TYR A 1 680 ? 77.794 56.645 26.552 1.00 34.14 ? ? ? ? ? ? 680 TYR A CE1 1 +ATOM 5292 C CE2 . TYR A 1 680 ? 77.632 55.842 28.825 1.00 33.78 ? ? ? ? ? ? 680 TYR A CE2 1 +ATOM 5293 C CZ . TYR A 1 680 ? 77.465 56.852 27.890 1.00 35.25 ? ? ? ? ? ? 680 TYR A CZ 1 +ATOM 5294 O OH . TYR A 1 680 ? 76.931 58.058 28.294 1.00 38.23 ? ? ? ? ? ? 680 TYR A OH 1 +ATOM 5295 N N . CYS A 1 681 ? 76.618 52.613 24.020 1.00 34.88 ? ? ? ? ? ? 681 CYS A N 1 +ATOM 5296 C CA . CYS A 1 681 ? 76.419 52.939 22.620 1.00 34.47 ? ? ? ? ? ? 681 CYS A CA 1 +ATOM 5297 C C . CYS A 1 681 ? 75.308 53.967 22.473 1.00 33.49 ? ? ? ? ? ? 681 CYS A C 1 +ATOM 5298 O O . CYS A 1 681 ? 74.162 53.698 22.819 1.00 34.37 ? ? ? ? ? ? 681 CYS A O 1 +ATOM 5299 C CB . CYS A 1 681 ? 76.104 51.691 21.812 1.00 33.92 ? ? ? ? ? ? 681 CYS A CB 1 +ATOM 5300 S SG . CYS A 1 681 ? 75.702 52.052 20.082 1.00 35.78 ? ? ? ? ? ? 681 CYS A SG 1 +ATOM 5301 N N . ALA A 1 682 ? 75.671 55.164 22.019 1.00 32.62 ? ? ? ? ? ? 682 ALA A N 1 +ATOM 5302 C CA . ALA A 1 682 ? 74.735 56.268 21.825 1.00 30.98 ? ? ? ? ? ? 682 ALA A CA 1 +ATOM 5303 C C . ALA A 1 682 ? 73.727 55.887 20.752 1.00 30.38 ? ? ? ? ? ? 682 ALA A C 1 +ATOM 5304 O O . ALA A 1 682 ? 74.097 55.676 19.588 1.00 31.34 ? ? ? ? ? ? 682 ALA A O 1 +ATOM 5305 C CB . ALA A 1 682 ? 75.496 57.525 21.417 1.00 30.26 ? ? ? ? ? ? 682 ALA A CB 1 +ATOM 5306 N N . VAL A 1 683 ? 72.471 55.719 21.163 1.00 28.73 ? ? ? ? ? ? 683 VAL A N 1 +ATOM 5307 C CA . VAL A 1 683 ? 71.409 55.327 20.244 1.00 28.24 ? ? ? ? ? ? 683 VAL A CA 1 +ATOM 5308 C C . VAL A 1 683 ? 70.201 56.211 20.452 1.00 29.74 ? ? ? ? ? ? 683 VAL A C 1 +ATOM 5309 O O . VAL A 1 683 ? 70.055 56.868 21.493 1.00 29.42 ? ? ? ? ? ? 683 VAL A O 1 +ATOM 5310 C CB . VAL A 1 683 ? 70.926 53.853 20.429 1.00 25.00 ? ? ? ? ? ? 683 VAL A CB 1 +ATOM 5311 C CG1 . VAL A 1 683 ? 72.051 52.880 20.282 1.00 22.74 ? ? ? ? ? ? 683 VAL A CG1 1 +ATOM 5312 C CG2 . VAL A 1 683 ? 70.230 53.697 21.757 1.00 22.82 ? ? ? ? ? ? 683 VAL A CG2 1 +ATOM 5313 N N . ARG A 1 684 ? 69.269 56.076 19.515 1.00 30.88 ? ? ? ? ? ? 684 ARG A N 1 +ATOM 5314 C CA . ARG A 1 684 ? 68.049 56.845 19.498 1.00 32.25 ? ? ? ? ? ? 684 ARG A CA 1 +ATOM 5315 C C . ARG A 1 684 ? 66.860 55.927 19.228 1.00 33.40 ? ? ? ? ? ? 684 ARG A C 1 +ATOM 5316 O O . ARG A 1 684 ? 66.742 55.336 18.132 1.00 33.53 ? ? ? ? ? ? 684 ARG A O 1 +ATOM 5317 C CB . ARG A 1 684 ? 68.198 57.825 18.385 1.00 32.93 ? ? ? ? ? ? 684 ARG A CB 1 +ATOM 5318 C CG . ARG A 1 684 ? 67.002 58.592 18.018 1.00 37.77 ? ? ? ? ? ? 684 ARG A CG 1 +ATOM 5319 C CD . ARG A 1 684 ? 67.401 59.148 16.718 1.00 41.78 ? ? ? ? ? ? 684 ARG A CD 1 +ATOM 5320 N NE . ARG A 1 684 ? 66.604 60.279 16.310 1.00 45.62 ? ? ? ? ? ? 684 ARG A NE 1 +ATOM 5321 C CZ . ARG A 1 684 ? 66.391 60.555 15.036 1.00 49.41 ? ? ? ? ? ? 684 ARG A CZ 1 +ATOM 5322 N NH1 . ARG A 1 684 ? 66.925 59.756 14.113 1.00 48.61 ? ? ? ? ? ? 684 ARG A NH1 1 +ATOM 5323 N NH2 . ARG A 1 684 ? 65.670 61.638 14.706 1.00 52.02 ? ? ? ? ? ? 684 ARG A NH2 1 +ATOM 5324 N N . VAL A 1 685 ? 65.979 55.804 20.219 1.00 34.27 ? ? ? ? ? ? 685 VAL A N 1 +ATOM 5325 C CA . VAL A 1 685 ? 64.814 54.931 20.092 1.00 35.40 ? ? ? ? ? ? 685 VAL A CA 1 +ATOM 5326 C C . VAL A 1 685 ? 63.716 55.700 19.369 1.00 36.42 ? ? ? ? ? ? 685 VAL A C 1 +ATOM 5327 O O . VAL A 1 685 ? 63.432 56.851 19.700 1.00 37.98 ? ? ? ? ? ? 685 VAL A O 1 +ATOM 5328 C CB . VAL A 1 685 ? 64.284 54.475 21.457 1.00 35.58 ? ? ? ? ? ? 685 VAL A CB 1 +ATOM 5329 C CG1 . VAL A 1 685 ? 63.414 53.232 21.283 1.00 33.46 ? ? ? ? ? ? 685 VAL A CG1 1 +ATOM 5330 C CG2 . VAL A 1 685 ? 65.431 54.220 22.429 1.00 34.55 ? ? ? ? ? ? 685 VAL A CG2 1 +ATOM 5331 N N . GLU A 1 686 ? 63.050 55.041 18.428 1.00 36.64 ? ? ? ? ? ? 686 GLU A N 1 +ATOM 5332 C CA . GLU A 1 686 ? 61.998 55.705 17.680 1.00 36.10 ? ? ? ? ? ? 686 GLU A CA 1 +ATOM 5333 C C . GLU A 1 686 ? 60.782 54.818 17.582 1.00 34.75 ? ? ? ? ? ? 686 GLU A C 1 +ATOM 5334 O O . GLU A 1 686 ? 60.906 53.650 17.241 1.00 35.34 ? ? ? ? ? ? 686 GLU A O 1 +ATOM 5335 C CB . GLU A 1 686 ? 62.516 56.030 16.311 1.00 36.43 ? ? ? ? ? ? 686 GLU A CB 1 +ATOM 5336 C CG . GLU A 1 686 ? 63.853 56.686 16.385 1.00 39.35 ? ? ? ? ? ? 686 GLU A CG 1 +ATOM 5337 C CD . GLU A 1 686 ? 64.576 56.585 15.065 1.00 43.32 ? ? ? ? ? ? 686 GLU A CD 1 +ATOM 5338 O OE1 . GLU A 1 686 ? 63.921 56.132 14.089 1.00 44.86 ? ? ? ? ? ? 686 GLU A OE1 1 +ATOM 5339 O OE2 . GLU A 1 686 ? 65.777 56.944 15.024 1.00 45.16 ? ? ? ? ? ? 686 GLU A OE2 1 +ATOM 5340 N N . PRO A 1 687 ? 59.584 55.360 17.859 1.00 34.20 ? ? ? ? ? ? 687 PRO A N 1 +ATOM 5341 C CA . PRO A 1 687 ? 58.357 54.559 17.788 1.00 33.84 ? ? ? ? ? ? 687 PRO A CA 1 +ATOM 5342 C C . PRO A 1 687 ? 58.004 54.110 16.375 1.00 33.94 ? ? ? ? ? ? 687 PRO A C 1 +ATOM 5343 O O . PRO A 1 687 ? 58.628 54.516 15.392 1.00 34.73 ? ? ? ? ? ? 687 PRO A O 1 +ATOM 5344 C CB . PRO A 1 687 ? 57.318 55.488 18.394 1.00 33.20 ? ? ? ? ? ? 687 PRO A CB 1 +ATOM 5345 C CG . PRO A 1 687 ? 57.794 56.822 17.958 1.00 32.79 ? ? ? ? ? ? 687 PRO A CG 1 +ATOM 5346 C CD . PRO A 1 687 ? 59.269 56.736 18.271 1.00 33.98 ? ? ? ? ? ? 687 PRO A CD 1 +ATOM 5347 N N . ILE A 1 688 ? 57.006 53.249 16.287 1.00 34.57 ? ? ? ? ? ? 688 ILE A N 1 +ATOM 5348 C CA . ILE A 1 688 ? 56.549 52.718 15.011 1.00 34.95 ? ? ? ? ? ? 688 ILE A CA 1 +ATOM 5349 C C . ILE A 1 688 ? 55.023 52.706 15.068 1.00 36.00 ? ? ? ? ? ? 688 ILE A C 1 +ATOM 5350 O O . ILE A 1 688 ? 54.443 51.967 15.879 1.00 34.49 ? ? ? ? ? ? 688 ILE A O 1 +ATOM 5351 C CB . ILE A 1 688 ? 57.024 51.270 14.825 1.00 35.13 ? ? ? ? ? ? 688 ILE A CB 1 +ATOM 5352 C CG1 . ILE A 1 688 ? 58.549 51.214 14.724 1.00 33.66 ? ? ? ? ? ? 688 ILE A CG1 1 +ATOM 5353 C CG2 . ILE A 1 688 ? 56.323 50.619 13.625 1.00 35.68 ? ? ? ? ? ? 688 ILE A CG2 1 +ATOM 5354 C CD1 . ILE A 1 688 ? 59.066 49.800 14.579 1.00 35.08 ? ? ? ? ? ? 688 ILE A CD1 1 +ATOM 5355 N N . ALA A 1 689 ? 54.389 53.516 14.215 1.00 36.63 ? ? ? ? ? ? 689 ALA A N 1 +ATOM 5356 C CA . ALA A 1 689 ? 52.923 53.588 14.186 1.00 38.28 ? ? ? ? ? ? 689 ALA A CA 1 +ATOM 5357 C C . ALA A 1 689 ? 52.274 52.341 13.584 1.00 39.28 ? ? ? ? ? ? 689 ALA A C 1 +ATOM 5358 O O . ALA A 1 689 ? 51.443 51.691 14.237 1.00 38.85 ? ? ? ? ? ? 689 ALA A O 1 +ATOM 5359 C CB . ALA A 1 689 ? 52.473 54.821 13.451 1.00 38.60 ? ? ? ? ? ? 689 ALA A CB 1 +ATOM 5360 N N . ASP A 1 690 ? 52.642 51.990 12.350 1.00 40.22 ? ? ? ? ? ? 690 ASP A N 1 +ATOM 5361 C CA . ASP A 1 690 ? 52.049 50.814 11.721 1.00 41.25 ? ? ? ? ? ? 690 ASP A CA 1 +ATOM 5362 C C . ASP A 1 690 ? 52.600 49.480 12.249 1.00 41.22 ? ? ? ? ? ? 690 ASP A C 1 +ATOM 5363 O O . ASP A 1 690 ? 53.194 48.696 11.502 1.00 40.50 ? ? ? ? ? ? 690 ASP A O 1 +ATOM 5364 C CB . ASP A 1 690 ? 52.162 50.887 10.193 1.00 42.80 ? ? ? ? ? ? 690 ASP A CB 1 +ATOM 5365 C CG . ASP A 1 690 ? 51.232 49.887 9.480 1.00 46.11 ? ? ? ? ? ? 690 ASP A CG 1 +ATOM 5366 O OD1 . ASP A 1 690 ? 50.333 49.305 10.133 1.00 46.81 ? ? ? ? ? ? 690 ASP A OD1 1 +ATOM 5367 O OD2 . ASP A 1 690 ? 51.389 49.687 8.252 1.00 49.06 ? ? ? ? ? ? 690 ASP A OD2 1 +ATOM 5368 N N . GLN A 1 691 ? 52.330 49.194 13.521 1.00 41.79 ? ? ? ? ? ? 691 GLN A N 1 +ATOM 5369 C CA . GLN A 1 691 ? 52.794 47.959 14.157 1.00 43.11 ? ? ? ? ? ? 691 GLN A CA 1 +ATOM 5370 C C . GLN A 1 691 ? 52.554 46.718 13.296 1.00 44.39 ? ? ? ? ? ? 691 GLN A C 1 +ATOM 5371 O O . GLN A 1 691 ? 53.484 45.978 12.993 1.00 46.07 ? ? ? ? ? ? 691 GLN A O 1 +ATOM 5372 C CB . GLN A 1 691 ? 52.109 47.760 15.506 1.00 41.71 ? ? ? ? ? ? 691 GLN A CB 1 +ATOM 5373 C CG . GLN A 1 691 ? 52.504 48.751 16.568 1.00 42.32 ? ? ? ? ? ? 691 GLN A CG 1 +ATOM 5374 C CD . GLN A 1 691 ? 53.790 48.377 17.264 1.00 42.77 ? ? ? ? ? ? 691 GLN A CD 1 +ATOM 5375 O OE1 . GLN A 1 691 ? 54.023 47.206 17.571 1.00 41.86 ? ? ? ? ? ? 691 GLN A OE1 1 +ATOM 5376 N NE2 . GLN A 1 691 ? 54.639 49.374 17.519 1.00 43.29 ? ? ? ? ? ? 691 GLN A NE2 1 +ATOM 5377 N N . ARG A 1 692 ? 51.311 46.513 12.878 1.00 45.03 ? ? ? ? ? ? 692 ARG A N 1 +ATOM 5378 C CA . ARG A 1 692 ? 50.944 45.357 12.070 1.00 44.43 ? ? ? ? ? ? 692 ARG A CA 1 +ATOM 5379 C C . ARG A 1 692 ? 51.904 45.104 10.918 1.00 42.63 ? ? ? ? ? ? 692 ARG A C 1 +ATOM 5380 O O . ARG A 1 692 ? 52.250 43.959 10.647 1.00 42.60 ? ? ? ? ? ? 692 ARG A O 1 +ATOM 5381 C CB . ARG A 1 692 ? 49.489 45.486 11.592 1.00 47.50 ? ? ? ? ? ? 692 ARG A CB 1 +ATOM 5382 C CG . ARG A 1 692 ? 48.491 45.406 12.757 1.00 51.18 ? ? ? ? ? ? 692 ARG A CG 1 +ATOM 5383 C CD . ARG A 1 692 ? 47.082 45.868 12.422 1.00 54.81 ? ? ? ? ? ? 692 ARG A CD 1 +ATOM 5384 N NE . ARG A 1 692 ? 46.291 46.049 13.651 1.00 58.88 ? ? ? ? ? ? 692 ARG A NE 1 +ATOM 5385 C CZ . ARG A 1 692 ? 45.067 46.585 13.711 1.00 59.36 ? ? ? ? ? ? 692 ARG A CZ 1 +ATOM 5386 N NH1 . ARG A 1 692 ? 44.459 47.003 12.605 1.00 60.37 ? ? ? ? ? ? 692 ARG A NH1 1 +ATOM 5387 N NH2 . ARG A 1 692 ? 44.458 46.730 14.887 1.00 58.34 ? ? ? ? ? ? 692 ARG A NH2 1 +ATOM 5388 N N . ALA A 1 693 ? 52.404 46.172 10.304 1.00 40.71 ? ? ? ? ? ? 693 ALA A N 1 +ATOM 5389 C CA . ALA A 1 693 ? 53.341 46.037 9.189 1.00 39.55 ? ? ? ? ? ? 693 ALA A CA 1 +ATOM 5390 C C . ALA A 1 693 ? 54.741 45.673 9.678 1.00 38.62 ? ? ? ? ? ? 693 ALA A C 1 +ATOM 5391 O O . ALA A 1 693 ? 55.549 45.100 8.939 1.00 37.95 ? ? ? ? ? ? 693 ALA A O 1 +ATOM 5392 C CB . ALA A 1 693 ? 53.390 47.319 8.400 1.00 39.95 ? ? ? ? ? ? 693 ALA A CB 1 +ATOM 5393 N N . ALA A 1 694 ? 55.032 46.077 10.911 1.00 37.44 ? ? ? ? ? ? 694 ALA A N 1 +ATOM 5394 C CA . ALA A 1 694 ? 56.310 45.808 11.558 1.00 36.25 ? ? ? ? ? ? 694 ALA A CA 1 +ATOM 5395 C C . ALA A 1 694 ? 56.330 44.350 12.042 1.00 35.34 ? ? ? ? ? ? 694 ALA A C 1 +ATOM 5396 O O . ALA A 1 694 ? 57.343 43.646 11.955 1.00 33.97 ? ? ? ? ? ? 694 ALA A O 1 +ATOM 5397 C CB . ALA A 1 694 ? 56.501 46.767 12.738 1.00 35.29 ? ? ? ? ? ? 694 ALA A CB 1 +ATOM 5398 N N . GLU A 1 695 ? 55.179 43.898 12.511 1.00 34.59 ? ? ? ? ? ? 695 GLU A N 1 +ATOM 5399 C CA . GLU A 1 695 ? 55.033 42.552 13.012 1.00 35.50 ? ? ? ? ? ? 695 GLU A CA 1 +ATOM 5400 C C . GLU A 1 695 ? 55.262 41.522 11.903 1.00 35.94 ? ? ? ? ? ? 695 GLU A C 1 +ATOM 5401 O O . GLU A 1 695 ? 55.650 40.373 12.176 1.00 35.38 ? ? ? ? ? ? 695 GLU A O 1 +ATOM 5402 C CB . GLU A 1 695 ? 53.658 42.402 13.667 1.00 35.33 ? ? ? ? ? ? 695 GLU A CB 1 +ATOM 5403 C CG . GLU A 1 695 ? 53.453 43.254 14.934 1.00 34.99 ? ? ? ? ? ? 695 GLU A CG 1 +ATOM 5404 C CD . GLU A 1 695 ? 54.083 42.643 16.186 1.00 35.67 ? ? ? ? ? ? 695 GLU A CD 1 +ATOM 5405 O OE1 . GLU A 1 695 ? 55.041 41.858 16.046 1.00 36.30 ? ? ? ? ? ? 695 GLU A OE1 1 +ATOM 5406 O OE2 . GLU A 1 695 ? 53.625 42.942 17.315 1.00 35.16 ? ? ? ? ? ? 695 GLU A OE2 1 +ATOM 5407 N N . GLN A 1 696 ? 55.028 41.937 10.657 1.00 36.72 ? ? ? ? ? ? 696 GLN A N 1 +ATOM 5408 C CA . GLN A 1 696 ? 55.243 41.067 9.498 1.00 37.67 ? ? ? ? ? ? 696 GLN A CA 1 +ATOM 5409 C C . GLN A 1 696 ? 56.666 41.258 8.980 1.00 37.80 ? ? ? ? ? ? 696 GLN A C 1 +ATOM 5410 O O . GLN A 1 696 ? 57.167 40.424 8.214 1.00 37.45 ? ? ? ? ? ? 696 GLN A O 1 +ATOM 5411 C CB . GLN A 1 696 ? 54.262 41.370 8.369 1.00 38.44 ? ? ? ? ? ? 696 GLN A CB 1 +ATOM 5412 C CG . GLN A 1 696 ? 54.277 40.328 7.239 1.00 40.41 ? ? ? ? ? ? 696 GLN A CG 1 +ATOM 5413 C CD . GLN A 1 696 ? 53.510 39.043 7.570 1.00 41.67 ? ? ? ? ? ? 696 GLN A CD 1 +ATOM 5414 O OE1 . GLN A 1 696 ? 53.677 38.024 6.904 1.00 43.02 ? ? ? ? ? ? 696 GLN A OE1 1 +ATOM 5415 N NE2 . GLN A 1 696 ? 52.648 39.097 8.577 1.00 42.56 ? ? ? ? ? ? 696 GLN A NE2 1 +ATOM 5416 N N . TYR A 1 697 ? 57.293 42.371 9.371 1.00 36.50 ? ? ? ? ? ? 697 TYR A N 1 +ATOM 5417 C CA . TYR A 1 697 ? 58.671 42.659 8.973 1.00 35.98 ? ? ? ? ? ? 697 TYR A CA 1 +ATOM 5418 C C . TYR A 1 697 ? 59.586 41.694 9.737 1.00 34.80 ? ? ? ? ? ? 697 TYR A C 1 +ATOM 5419 O O . TYR A 1 697 ? 60.448 41.032 9.146 1.00 32.84 ? ? ? ? ? ? 697 TYR A O 1 +ATOM 5420 C CB . TYR A 1 697 ? 59.049 44.121 9.286 1.00 36.50 ? ? ? ? ? ? 697 TYR A CB 1 +ATOM 5421 C CG . TYR A 1 697 ? 60.446 44.509 8.827 1.00 35.66 ? ? ? ? ? ? 697 TYR A CG 1 +ATOM 5422 C CD1 . TYR A 1 697 ? 60.773 44.527 7.470 1.00 35.45 ? ? ? ? ? ? 697 TYR A CD1 1 +ATOM 5423 C CD2 . TYR A 1 697 ? 61.459 44.774 9.751 1.00 34.25 ? ? ? ? ? ? 697 TYR A CD2 1 +ATOM 5424 C CE1 . TYR A 1 697 ? 62.079 44.783 7.048 1.00 35.46 ? ? ? ? ? ? 697 TYR A CE1 1 +ATOM 5425 C CE2 . TYR A 1 697 ? 62.757 45.033 9.339 1.00 33.50 ? ? ? ? ? ? 697 TYR A CE2 1 +ATOM 5426 C CZ . TYR A 1 697 ? 63.062 45.027 7.988 1.00 34.18 ? ? ? ? ? ? 697 TYR A CZ 1 +ATOM 5427 O OH . TYR A 1 697 ? 64.359 45.202 7.576 1.00 34.81 ? ? ? ? ? ? 697 TYR A OH 1 +ATOM 5428 N N . VAL A 1 698 ? 59.383 41.618 11.051 1.00 33.48 ? ? ? ? ? ? 698 VAL A N 1 +ATOM 5429 C CA . VAL A 1 698 ? 60.162 40.721 11.888 1.00 32.78 ? ? ? ? ? ? 698 VAL A CA 1 +ATOM 5430 C C . VAL A 1 698 ? 60.007 39.315 11.321 1.00 34.15 ? ? ? ? ? ? 698 VAL A C 1 +ATOM 5431 O O . VAL A 1 698 ? 61.003 38.629 11.083 1.00 34.59 ? ? ? ? ? ? 698 VAL A O 1 +ATOM 5432 C CB . VAL A 1 698 ? 59.676 40.739 13.347 1.00 31.83 ? ? ? ? ? ? 698 VAL A CB 1 +ATOM 5433 C CG1 . VAL A 1 698 ? 60.347 39.643 14.136 1.00 31.24 ? ? ? ? ? ? 698 VAL A CG1 1 +ATOM 5434 C CG2 . VAL A 1 698 ? 59.970 42.075 13.976 1.00 31.52 ? ? ? ? ? ? 698 VAL A CG2 1 +ATOM 5435 N N . ILE A 1 699 ? 58.761 38.911 11.064 1.00 34.57 ? ? ? ? ? ? 699 ILE A N 1 +ATOM 5436 C CA . ILE A 1 699 ? 58.481 37.591 10.496 1.00 34.57 ? ? ? ? ? ? 699 ILE A CA 1 +ATOM 5437 C C . ILE A 1 699 ? 59.189 37.375 9.167 1.00 34.85 ? ? ? ? ? ? 699 ILE A C 1 +ATOM 5438 O O . ILE A 1 699 ? 60.044 36.504 9.052 1.00 35.49 ? ? ? ? ? ? 699 ILE A O 1 +ATOM 5439 C CB . ILE A 1 699 ? 56.974 37.345 10.299 1.00 34.14 ? ? ? ? ? ? 699 ILE A CB 1 +ATOM 5440 C CG1 . ILE A 1 699 ? 56.271 37.281 11.660 1.00 33.62 ? ? ? ? ? ? 699 ILE A CG1 1 +ATOM 5441 C CG2 . ILE A 1 699 ? 56.746 36.062 9.503 1.00 32.17 ? ? ? ? ? ? 699 ILE A CG2 1 +ATOM 5442 C CD1 . ILE A 1 699 ? 54.898 36.665 11.602 1.00 34.23 ? ? ? ? ? ? 699 ILE A CD1 1 +ATOM 5443 N N . ASP A 1 700 ? 58.872 38.186 8.172 1.00 35.66 ? ? ? ? ? ? 700 ASP A N 1 +ATOM 5444 C CA . ASP A 1 700 ? 59.515 38.035 6.874 1.00 38.03 ? ? ? ? ? ? 700 ASP A CA 1 +ATOM 5445 C C . ASP A 1 700 ? 61.038 37.993 6.976 1.00 38.88 ? ? ? ? ? ? 700 ASP A C 1 +ATOM 5446 O O . ASP A 1 700 ? 61.661 37.071 6.431 1.00 39.25 ? ? ? ? ? ? 700 ASP A O 1 +ATOM 5447 C CB . ASP A 1 700 ? 59.061 39.138 5.913 1.00 40.05 ? ? ? ? ? ? 700 ASP A CB 1 +ATOM 5448 C CG . ASP A 1 700 ? 57.581 39.059 5.600 1.00 40.49 ? ? ? ? ? ? 700 ASP A CG 1 +ATOM 5449 O OD1 . ASP A 1 700 ? 56.983 37.980 5.799 1.00 41.57 ? ? ? ? ? ? 700 ASP A OD1 1 +ATOM 5450 O OD2 . ASP A 1 700 ? 57.012 40.077 5.165 1.00 40.54 ? ? ? ? ? ? 700 ASP A OD2 1 +ATOM 5451 N N . GLU A 1 701 ? 61.615 38.953 7.713 1.00 39.42 ? ? ? ? ? ? 701 GLU A N 1 +ATOM 5452 C CA . GLU A 1 701 ? 63.069 39.060 7.935 1.00 38.84 ? ? ? ? ? ? 701 GLU A CA 1 +ATOM 5453 C C . GLU A 1 701 ? 63.683 37.870 8.663 1.00 38.67 ? ? ? ? ? ? 701 GLU A C 1 +ATOM 5454 O O . GLU A 1 701 ? 64.850 37.526 8.445 1.00 39.56 ? ? ? ? ? ? 701 GLU A O 1 +ATOM 5455 C CB . GLU A 1 701 ? 63.400 40.329 8.710 1.00 39.13 ? ? ? ? ? ? 701 GLU A CB 1 +ATOM 5456 C CG . GLU A 1 701 ? 63.301 41.602 7.878 1.00 41.79 ? ? ? ? ? ? 701 GLU A CG 1 +ATOM 5457 C CD . GLU A 1 701 ? 64.265 41.615 6.699 1.00 42.40 ? ? ? ? ? ? 701 GLU A CD 1 +ATOM 5458 O OE1 . GLU A 1 701 ? 65.491 41.691 6.935 1.00 44.01 ? ? ? ? ? ? 701 GLU A OE1 1 +ATOM 5459 O OE2 . GLU A 1 701 ? 63.800 41.538 5.540 1.00 41.51 ? ? ? ? ? ? 701 GLU A OE2 1 +ATOM 5460 N N . TYR A 1 702 ? 62.906 37.258 9.547 1.00 37.91 ? ? ? ? ? ? 702 TYR A N 1 +ATOM 5461 C CA . TYR A 1 702 ? 63.366 36.101 10.289 1.00 37.18 ? ? ? ? ? ? 702 TYR A CA 1 +ATOM 5462 C C . TYR A 1 702 ? 63.333 34.913 9.345 1.00 37.07 ? ? ? ? ? ? 702 TYR A C 1 +ATOM 5463 O O . TYR A 1 702 ? 64.329 34.188 9.194 1.00 36.41 ? ? ? ? ? ? 702 TYR A O 1 +ATOM 5464 C CB . TYR A 1 702 ? 62.427 35.838 11.454 1.00 37.32 ? ? ? ? ? ? 702 TYR A CB 1 +ATOM 5465 C CG . TYR A 1 702 ? 62.904 34.801 12.443 1.00 37.86 ? ? ? ? ? ? 702 TYR A CG 1 +ATOM 5466 C CD1 . TYR A 1 702 ? 64.261 34.481 12.577 1.00 37.11 ? ? ? ? ? ? 702 TYR A CD1 1 +ATOM 5467 C CD2 . TYR A 1 702 ? 61.997 34.185 13.296 1.00 37.73 ? ? ? ? ? ? 702 TYR A CD2 1 +ATOM 5468 C CE1 . TYR A 1 702 ? 64.682 33.578 13.546 1.00 37.67 ? ? ? ? ? ? 702 TYR A CE1 1 +ATOM 5469 C CE2 . TYR A 1 702 ? 62.404 33.289 14.257 1.00 37.19 ? ? ? ? ? ? 702 TYR A CE2 1 +ATOM 5470 C CZ . TYR A 1 702 ? 63.736 32.984 14.385 1.00 38.13 ? ? ? ? ? ? 702 TYR A CZ 1 +ATOM 5471 O OH . TYR A 1 702 ? 64.096 32.076 15.356 1.00 39.69 ? ? ? ? ? ? 702 TYR A OH 1 +ATOM 5472 N N . ASN A 1 703 ? 62.182 34.743 8.699 1.00 35.78 ? ? ? ? ? ? 703 ASN A N 1 +ATOM 5473 C CA . ASN A 1 703 ? 61.955 33.657 7.760 1.00 35.68 ? ? ? ? ? ? 703 ASN A CA 1 +ATOM 5474 C C . ASN A 1 703 ? 63.007 33.659 6.637 1.00 35.17 ? ? ? ? ? ? 703 ASN A C 1 +ATOM 5475 O O . ASN A 1 703 ? 63.477 32.596 6.199 1.00 34.16 ? ? ? ? ? ? 703 ASN A O 1 +ATOM 5476 C CB . ASN A 1 703 ? 60.525 33.745 7.191 1.00 36.53 ? ? ? ? ? ? 703 ASN A CB 1 +ATOM 5477 C CG . ASN A 1 703 ? 59.441 33.291 8.194 1.00 35.88 ? ? ? ? ? ? 703 ASN A CG 1 +ATOM 5478 O OD1 . ASN A 1 703 ? 59.351 33.789 9.317 1.00 35.35 ? ? ? ? ? ? 703 ASN A OD1 1 +ATOM 5479 N ND2 . ASN A 1 703 ? 58.614 32.352 7.773 1.00 35.38 ? ? ? ? ? ? 703 ASN A ND2 1 +ATOM 5480 N N . LYS A 1 704 ? 63.373 34.849 6.171 1.00 34.65 ? ? ? ? ? ? 704 LYS A N 1 +ATOM 5481 C CA . LYS A 1 704 ? 64.388 34.983 5.128 1.00 34.64 ? ? ? ? ? ? 704 LYS A CA 1 +ATOM 5482 C C . LYS A 1 704 ? 65.692 34.370 5.634 1.00 33.82 ? ? ? ? ? ? 704 LYS A C 1 +ATOM 5483 O O . LYS A 1 704 ? 66.224 33.448 5.025 1.00 33.27 ? ? ? ? ? ? 704 LYS A O 1 +ATOM 5484 C CB . LYS A 1 704 ? 64.604 36.468 4.759 1.00 35.13 ? ? ? ? ? ? 704 LYS A CB 1 +ATOM 5485 C CG . LYS A 1 704 ? 63.478 37.060 3.933 1.00 35.70 ? ? ? ? ? ? 704 LYS A CG 1 +ATOM 5486 C CD . LYS A 1 704 ? 63.416 38.569 4.042 1.00 37.15 ? ? ? ? ? ? 704 LYS A CD 1 +ATOM 5487 C CE . LYS A 1 704 ? 62.153 39.125 3.353 1.00 38.52 ? ? ? ? ? ? 704 LYS A CE 1 +ATOM 5488 N NZ . LYS A 1 704 ? 61.768 40.521 3.791 1.00 38.96 ? ? ? ? ? ? 704 LYS A NZ 1 +ATOM 5489 N N . LEU A 1 705 ? 66.166 34.851 6.782 1.00 33.04 ? ? ? ? ? ? 705 LEU A N 1 +ATOM 5490 C CA . LEU A 1 705 ? 67.405 34.355 7.379 1.00 32.23 ? ? ? ? ? ? 705 LEU A CA 1 +ATOM 5491 C C . LEU A 1 705 ? 67.345 32.866 7.674 1.00 31.74 ? ? ? ? ? ? 705 LEU A C 1 +ATOM 5492 O O . LEU A 1 705 ? 68.319 32.155 7.447 1.00 32.55 ? ? ? ? ? ? 705 LEU A O 1 +ATOM 5493 C CB . LEU A 1 705 ? 67.739 35.111 8.679 1.00 31.79 ? ? ? ? ? ? 705 LEU A CB 1 +ATOM 5494 C CG . LEU A 1 705 ? 68.964 34.610 9.462 1.00 29.27 ? ? ? ? ? ? 705 LEU A CG 1 +ATOM 5495 C CD1 . LEU A 1 705 ? 70.224 35.011 8.735 1.00 29.75 ? ? ? ? ? ? 705 LEU A CD1 1 +ATOM 5496 C CD2 . LEU A 1 705 ? 68.979 35.159 10.855 1.00 27.39 ? ? ? ? ? ? 705 LEU A CD2 1 +ATOM 5497 N N . LYS A 1 706 ? 66.218 32.398 8.198 1.00 30.91 ? ? ? ? ? ? 706 LYS A N 1 +ATOM 5498 C CA . LYS A 1 706 ? 66.085 30.987 8.526 1.00 30.42 ? ? ? ? ? ? 706 LYS A CA 1 +ATOM 5499 C C . LYS A 1 706 ? 66.140 30.089 7.304 1.00 29.22 ? ? ? ? ? ? 706 LYS A C 1 +ATOM 5500 O O . LYS A 1 706 ? 66.798 29.055 7.339 1.00 29.81 ? ? ? ? ? ? 706 LYS A O 1 +ATOM 5501 C CB . LYS A 1 706 ? 64.813 30.721 9.345 1.00 31.86 ? ? ? ? ? ? 706 LYS A CB 1 +ATOM 5502 C CG . LYS A 1 706 ? 64.887 31.165 10.795 1.00 32.97 ? ? ? ? ? ? 706 LYS A CG 1 +ATOM 5503 C CD . LYS A 1 706 ? 63.505 31.307 11.428 1.00 34.74 ? ? ? ? ? ? 706 LYS A CD 1 +ATOM 5504 C CE . LYS A 1 706 ? 63.092 30.059 12.187 1.00 37.61 ? ? ? ? ? ? 706 LYS A CE 1 +ATOM 5505 N NZ . LYS A 1 706 ? 61.954 30.293 13.133 1.00 37.46 ? ? ? ? ? ? 706 LYS A NZ 1 +ATOM 5506 N N . THR A 1 707 ? 65.473 30.476 6.219 1.00 29.10 ? ? ? ? ? ? 707 THR A N 1 +ATOM 5507 C CA . THR A 1 707 ? 65.480 29.651 5.005 1.00 29.36 ? ? ? ? ? ? 707 THR A CA 1 +ATOM 5508 C C . THR A 1 707 ? 66.842 29.748 4.360 1.00 27.99 ? ? ? ? ? ? 707 THR A C 1 +ATOM 5509 O O . THR A 1 707 ? 67.393 28.754 3.915 1.00 28.44 ? ? ? ? ? ? 707 THR A O 1 +ATOM 5510 C CB . THR A 1 707 ? 64.432 30.089 3.989 1.00 29.14 ? ? ? ? ? ? 707 THR A CB 1 +ATOM 5511 O OG1 . THR A 1 707 ? 64.679 31.442 3.638 1.00 33.66 ? ? ? ? ? ? 707 THR A OG1 1 +ATOM 5512 C CG2 . THR A 1 707 ? 63.042 29.993 4.572 1.00 30.19 ? ? ? ? ? ? 707 THR A CG2 1 +ATOM 5513 N N . ARG A 1 708 ? 67.382 30.959 4.349 1.00 27.48 ? ? ? ? ? ? 708 ARG A N 1 +ATOM 5514 C CA . ARG A 1 708 ? 68.704 31.245 3.806 1.00 27.89 ? ? ? ? ? ? 708 ARG A CA 1 +ATOM 5515 C C . ARG A 1 708 ? 69.719 30.251 4.369 1.00 28.43 ? ? ? ? ? ? 708 ARG A C 1 +ATOM 5516 O O . ARG A 1 708 ? 70.322 29.456 3.626 1.00 28.51 ? ? ? ? ? ? 708 ARG A O 1 +ATOM 5517 C CB . ARG A 1 708 ? 69.124 32.662 4.212 1.00 29.13 ? ? ? ? ? ? 708 ARG A CB 1 +ATOM 5518 C CG . ARG A 1 708 ? 70.517 33.036 3.758 1.00 30.33 ? ? ? ? ? ? 708 ARG A CG 1 +ATOM 5519 C CD . ARG A 1 708 ? 71.084 34.191 4.533 1.00 28.89 ? ? ? ? ? ? 708 ARG A CD 1 +ATOM 5520 N NE . ARG A 1 708 ? 72.501 33.943 4.789 1.00 28.37 ? ? ? ? ? ? 708 ARG A NE 1 +ATOM 5521 C CZ . ARG A 1 708 ? 73.149 34.419 5.839 1.00 29.08 ? ? ? ? ? ? 708 ARG A CZ 1 +ATOM 5522 N NH1 . ARG A 1 708 ? 72.498 35.166 6.725 1.00 31.41 ? ? ? ? ? ? 708 ARG A NH1 1 +ATOM 5523 N NH2 . ARG A 1 708 ? 74.441 34.173 5.999 1.00 28.68 ? ? ? ? ? ? 708 ARG A NH2 1 +ATOM 5524 N N . LEU A 1 709 ? 69.904 30.330 5.689 1.00 27.67 ? ? ? ? ? ? 709 LEU A N 1 +ATOM 5525 C CA . LEU A 1 709 ? 70.801 29.462 6.433 1.00 26.32 ? ? ? ? ? ? 709 LEU A CA 1 +ATOM 5526 C C . LEU A 1 709 ? 70.468 28.006 6.206 1.00 26.90 ? ? ? ? ? ? 709 LEU A C 1 +ATOM 5527 O O . LEU A 1 709 ? 71.366 27.168 6.143 1.00 27.76 ? ? ? ? ? ? 709 LEU A O 1 +ATOM 5528 C CB . LEU A 1 709 ? 70.688 29.755 7.927 1.00 24.75 ? ? ? ? ? ? 709 LEU A CB 1 +ATOM 5529 C CG . LEU A 1 709 ? 71.414 30.992 8.444 1.00 23.66 ? ? ? ? ? ? 709 LEU A CG 1 +ATOM 5530 C CD1 . LEU A 1 709 ? 71.019 31.272 9.882 1.00 20.77 ? ? ? ? ? ? 709 LEU A CD1 1 +ATOM 5531 C CD2 . LEU A 1 709 ? 72.926 30.813 8.286 1.00 21.46 ? ? ? ? ? ? 709 LEU A CD2 1 +ATOM 5532 N N . ARG A 1 710 ? 69.178 27.700 6.091 1.00 27.73 ? ? ? ? ? ? 710 ARG A N 1 +ATOM 5533 C CA . ARG A 1 710 ? 68.725 26.326 5.882 1.00 29.33 ? ? ? ? ? ? 710 ARG A CA 1 +ATOM 5534 C C . ARG A 1 710 ? 69.145 25.721 4.534 1.00 29.57 ? ? ? ? ? ? 710 ARG A C 1 +ATOM 5535 O O . ARG A 1 710 ? 69.599 24.578 4.450 1.00 28.16 ? ? ? ? ? ? 710 ARG A O 1 +ATOM 5536 C CB . ARG A 1 710 ? 67.222 26.266 6.031 1.00 30.18 ? ? ? ? ? ? 710 ARG A CB 1 +ATOM 5537 C CG . ARG A 1 710 ? 66.710 24.893 6.272 1.00 32.47 ? ? ? ? ? ? 710 ARG A CG 1 +ATOM 5538 C CD . ARG A 1 710 ? 65.232 24.918 6.504 1.00 34.82 ? ? ? ? ? ? 710 ARG A CD 1 +ATOM 5539 N NE . ARG A 1 710 ? 64.676 23.632 6.124 1.00 39.98 ? ? ? ? ? ? 710 ARG A NE 1 +ATOM 5540 C CZ . ARG A 1 710 ? 64.459 22.633 6.967 1.00 41.35 ? ? ? ? ? ? 710 ARG A CZ 1 +ATOM 5541 N NH1 . ARG A 1 710 ? 64.738 22.773 8.258 1.00 39.66 ? ? ? ? ? ? 710 ARG A NH1 1 +ATOM 5542 N NH2 . ARG A 1 710 ? 64.005 21.476 6.499 1.00 44.38 ? ? ? ? ? ? 710 ARG A NH2 1 +ATOM 5543 N N . GLU A 1 711 ? 69.011 26.508 3.483 1.00 30.70 ? ? ? ? ? ? 711 GLU A N 1 +ATOM 5544 C CA . GLU A 1 711 ? 69.390 26.070 2.163 1.00 32.09 ? ? ? ? ? ? 711 GLU A CA 1 +ATOM 5545 C C . GLU A 1 711 ? 70.884 25.786 2.118 1.00 31.49 ? ? ? ? ? ? 711 GLU A C 1 +ATOM 5546 O O . GLU A 1 711 ? 71.305 24.834 1.489 1.00 32.42 ? ? ? ? ? ? 711 GLU A O 1 +ATOM 5547 C CB . GLU A 1 711 ? 68.997 27.133 1.127 1.00 34.58 ? ? ? ? ? ? 711 GLU A CB 1 +ATOM 5548 C CG . GLU A 1 711 ? 67.482 27.307 0.974 1.00 38.45 ? ? ? ? ? ? 711 GLU A CG 1 +ATOM 5549 C CD . GLU A 1 711 ? 67.079 28.457 0.053 1.00 43.25 ? ? ? ? ? ? 711 GLU A CD 1 +ATOM 5550 O OE1 . GLU A 1 711 ? 67.932 29.313 -0.285 1.00 46.73 ? ? ? ? ? ? 711 GLU A OE1 1 +ATOM 5551 O OE2 . GLU A 1 711 ? 65.890 28.518 -0.332 1.00 45.23 ? ? ? ? ? ? 711 GLU A OE2 1 +ATOM 5552 N N . ALA A 1 712 ? 71.677 26.592 2.815 1.00 31.32 ? ? ? ? ? ? 712 ALA A N 1 +ATOM 5553 C CA . ALA A 1 712 ? 73.134 26.425 2.845 1.00 31.27 ? ? ? ? ? ? 712 ALA A CA 1 +ATOM 5554 C C . ALA A 1 712 ? 73.545 25.161 3.559 1.00 32.40 ? ? ? ? ? ? 712 ALA A C 1 +ATOM 5555 O O . ALA A 1 712 ? 74.538 24.528 3.211 1.00 33.38 ? ? ? ? ? ? 712 ALA A O 1 +ATOM 5556 C CB . ALA A 1 712 ? 73.780 27.603 3.530 1.00 30.73 ? ? ? ? ? ? 712 ALA A CB 1 +ATOM 5557 N N . ALA A 1 713 ? 72.812 24.824 4.607 1.00 33.09 ? ? ? ? ? ? 713 ALA A N 1 +ATOM 5558 C CA . ALA A 1 713 ? 73.148 23.650 5.365 1.00 33.51 ? ? ? ? ? ? 713 ALA A CA 1 +ATOM 5559 C C . ALA A 1 713 ? 72.687 22.379 4.698 1.00 33.61 ? ? ? ? ? ? 713 ALA A C 1 +ATOM 5560 O O . ALA A 1 713 ? 73.465 21.433 4.551 1.00 32.85 ? ? ? ? ? ? 713 ALA A O 1 +ATOM 5561 C CB . ALA A 1 713 ? 72.576 23.750 6.760 1.00 32.47 ? ? ? ? ? ? 713 ALA A CB 1 +ATOM 5562 N N . LEU A 1 714 ? 71.443 22.391 4.234 1.00 35.33 ? ? ? ? ? ? 714 LEU A N 1 +ATOM 5563 C CA . LEU A 1 714 ? 70.840 21.209 3.628 1.00 37.14 ? ? ? ? ? ? 714 LEU A CA 1 +ATOM 5564 C C . LEU A 1 714 ? 70.815 21.158 2.101 1.00 38.31 ? ? ? ? ? ? 714 LEU A C 1 +ATOM 5565 O O . LEU A 1 714 ? 69.831 20.673 1.533 1.00 39.07 ? ? ? ? ? ? 714 LEU A O 1 +ATOM 5566 C CB . LEU A 1 714 ? 69.412 21.013 4.186 1.00 36.51 ? ? ? ? ? ? 714 LEU A CB 1 +ATOM 5567 C CG . LEU A 1 714 ? 69.132 21.197 5.699 1.00 36.88 ? ? ? ? ? ? 714 LEU A CG 1 +ATOM 5568 C CD1 . LEU A 1 714 ? 67.673 20.831 5.999 1.00 37.67 ? ? ? ? ? ? 714 LEU A CD1 1 +ATOM 5569 C CD2 . LEU A 1 714 ? 70.053 20.351 6.569 1.00 35.44 ? ? ? ? ? ? 714 LEU A CD2 1 +ATOM 5570 N N . ALA A 1 715 ? 71.907 21.565 1.445 1.00 39.95 ? ? ? ? ? ? 715 ALA A N 1 +ATOM 5571 C CA . ALA A 1 715 ? 71.994 21.543 -0.020 1.00 41.84 ? ? ? ? ? ? 715 ALA A CA 1 +ATOM 5572 C C . ALA A 1 715 ? 73.346 20.992 -0.510 1.00 43.09 ? ? ? ? ? ? 715 ALA A C 1 +ATOM 5573 O O . ALA A 1 715 ? 73.399 20.392 -1.624 1.00 42.95 ? ? ? ? ? ? 715 ALA A O 1 +ATOM 5574 C CB . ALA A 1 715 ? 71.762 22.950 -0.589 1.00 40.98 ? ? ? ? ? ? 715 ALA A CB 1 +ATOM 5575 O OXT . ALA A 1 715 ? 74.332 21.146 0.246 1.00 44.19 ? ? ? ? ? ? 715 ALA A OXT 1 +HETATM 5576 FE FE1 . SF4 B 2 . ? 72.707 27.217 34.534 1.00 11.23 ? ? ? ? ? ? 800 SF4 A FE1 1 +HETATM 5577 FE FE2 . SF4 B 2 . ? 74.494 25.674 33.185 1.00 14.16 ? ? ? ? ? ? 800 SF4 A FE2 1 +HETATM 5578 FE FE3 . SF4 B 2 . ? 74.740 25.762 35.860 1.00 12.89 ? ? ? ? ? ? 800 SF4 A FE3 1 +HETATM 5579 FE FE4 . SF4 B 2 . ? 75.077 27.921 34.299 1.00 13.29 ? ? ? ? ? ? 800 SF4 A FE4 1 +HETATM 5580 S S1 . SF4 B 2 . ? 76.400 26.011 34.379 1.00 14.35 ? ? ? ? ? ? 800 SF4 A S1 1 +HETATM 5581 S S2 . SF4 B 2 . ? 73.999 27.980 36.255 1.00 13.87 ? ? ? ? ? ? 800 SF4 A S2 1 +HETATM 5582 S S3 . SF4 B 2 . ? 73.679 27.650 32.472 1.00 14.58 ? ? ? ? ? ? 800 SF4 A S3 1 +HETATM 5583 S S4 . SF4 B 2 . ? 72.941 24.932 34.687 1.00 14.86 ? ? ? ? ? ? 800 SF4 A S4 1 +HETATM 5584 P PB . MGD C 3 . ? 79.057 31.483 21.133 1.00 21.59 ? ? ? ? ? ? 801 MGD A PB 1 +HETATM 5585 O O1B . MGD C 3 . ? 77.921 32.301 20.718 1.00 21.03 ? ? ? ? ? ? 801 MGD A O1B 1 +HETATM 5586 O O2B . MGD C 3 . ? 78.885 30.532 22.269 1.00 22.72 ? ? ? ? ? ? 801 MGD A O2B 1 +HETATM 5587 O O3B . MGD C 3 . ? 80.167 32.586 21.396 1.00 23.23 ? ? ? ? ? ? 801 MGD A O3B 1 +HETATM 5588 O O3A . MGD C 3 . ? 80.794 35.057 21.501 1.00 25.18 ? ? ? ? ? ? 801 MGD A O3A 1 +HETATM 5589 P PA . MGD C 3 . ? 80.486 33.857 20.483 1.00 24.97 ? ? ? ? ? ? 801 MGD A PA 1 +HETATM 5590 O O1A . MGD C 3 . ? 81.715 33.611 19.686 1.00 26.53 ? ? ? ? ? ? 801 MGD A O1A 1 +HETATM 5591 O O2A . MGD C 3 . ? 79.280 34.152 19.732 1.00 26.68 ? ? ? ? ? ? 801 MGD A O2A 1 +HETATM 5592 O "O5'" . MGD C 3 . ? 79.648 30.698 19.862 1.00 18.92 ? ? ? ? ? ? 801 MGD A "O5'" 1 +HETATM 5593 C "C5'" . MGD C 3 . ? 79.940 29.302 19.954 1.00 16.40 ? ? ? ? ? ? 801 MGD A "C5'" 1 +HETATM 5594 C "C4'" . MGD C 3 . ? 79.979 28.727 18.548 1.00 17.67 ? ? ? ? ? ? 801 MGD A "C4'" 1 +HETATM 5595 O "O4'" . MGD C 3 . ? 80.630 27.467 18.576 1.00 18.71 ? ? ? ? ? ? 801 MGD A "O4'" 1 +HETATM 5596 C "C3'" . MGD C 3 . ? 78.574 28.495 17.969 1.00 18.04 ? ? ? ? ? ? 801 MGD A "C3'" 1 +HETATM 5597 O "O3'" . MGD C 3 . ? 78.580 28.593 16.537 1.00 12.85 ? ? ? ? ? ? 801 MGD A "O3'" 1 +HETATM 5598 C "C2'" . MGD C 3 . ? 78.317 27.039 18.394 1.00 19.03 ? ? ? ? ? ? 801 MGD A "C2'" 1 +HETATM 5599 O "O2'" . MGD C 3 . ? 77.345 26.442 17.515 1.00 19.79 ? ? ? ? ? ? 801 MGD A "O2'" 1 +HETATM 5600 C "C1'" . MGD C 3 . ? 79.714 26.455 18.189 1.00 18.79 ? ? ? ? ? ? 801 MGD A "C1'" 1 +HETATM 5601 N N9 . MGD C 3 . ? 80.018 25.253 18.960 1.00 19.05 ? ? ? ? ? ? 801 MGD A N9 1 +HETATM 5602 C C8 . MGD C 3 . ? 79.511 24.729 20.142 1.00 19.90 ? ? ? ? ? ? 801 MGD A C8 1 +HETATM 5603 N N7 . MGD C 3 . ? 80.119 23.628 20.555 1.00 18.57 ? ? ? ? ? ? 801 MGD A N7 1 +HETATM 5604 C C5 . MGD C 3 . ? 81.078 23.416 19.578 1.00 17.71 ? ? ? ? ? ? 801 MGD A C5 1 +HETATM 5605 C C6 . MGD C 3 . ? 82.033 22.405 19.430 1.00 16.94 ? ? ? ? ? ? 801 MGD A C6 1 +HETATM 5606 O O6 . MGD C 3 . ? 82.139 21.418 20.151 1.00 16.66 ? ? ? ? ? ? 801 MGD A O6 1 +HETATM 5607 N N1 . MGD C 3 . ? 82.803 22.558 18.307 1.00 17.07 ? ? ? ? ? ? 801 MGD A N1 1 +HETATM 5608 C C2 . MGD C 3 . ? 82.693 23.571 17.400 1.00 16.08 ? ? ? ? ? ? 801 MGD A C2 1 +HETATM 5609 N N2 . MGD C 3 . ? 83.511 23.523 16.371 1.00 16.58 ? ? ? ? ? ? 801 MGD A N2 1 +HETATM 5610 N N3 . MGD C 3 . ? 81.797 24.537 17.519 1.00 16.50 ? ? ? ? ? ? 801 MGD A N3 1 +HETATM 5611 C C4 . MGD C 3 . ? 81.024 24.406 18.612 1.00 18.49 ? ? ? ? ? ? 801 MGD A C4 1 +HETATM 5612 C C10 . MGD C 3 . ? 80.188 35.356 22.733 1.00 24.98 ? ? ? ? ? ? 801 MGD A C10 1 +HETATM 5613 C C11 . MGD C 3 . ? 80.685 36.788 23.001 1.00 25.14 ? ? ? ? ? ? 801 MGD A C11 1 +HETATM 5614 O O11 . MGD C 3 . ? 79.720 37.773 22.718 1.00 26.14 ? ? ? ? ? ? 801 MGD A O11 1 +HETATM 5615 C C12 . MGD C 3 . ? 81.136 36.989 24.427 1.00 24.90 ? ? ? ? ? ? 801 MGD A C12 1 +HETATM 5616 S S12 . MGD C 3 . ? 81.566 35.623 25.445 1.00 26.69 ? ? ? ? ? ? 801 MGD A S12 1 +HETATM 5617 C C13 . MGD C 3 . ? 81.116 38.256 24.997 1.00 24.47 ? ? ? ? ? ? 801 MGD A C13 1 +HETATM 5618 S S13 . MGD C 3 . ? 81.729 38.407 26.652 1.00 24.94 ? ? ? ? ? ? 801 MGD A S13 1 +HETATM 5619 C C14 . MGD C 3 . ? 80.617 39.460 24.219 1.00 23.46 ? ? ? ? ? ? 801 MGD A C14 1 +HETATM 5620 N N15 . MGD C 3 . ? 79.463 39.983 24.917 1.00 22.27 ? ? ? ? ? ? 801 MGD A N15 1 +HETATM 5621 C C16 . MGD C 3 . ? 78.720 40.882 24.201 1.00 23.80 ? ? ? ? ? ? 801 MGD A C16 1 +HETATM 5622 C C17 . MGD C 3 . ? 77.932 41.827 24.882 1.00 23.20 ? ? ? ? ? ? 801 MGD A C17 1 +HETATM 5623 O O17 . MGD C 3 . ? 77.936 41.898 26.105 1.00 21.06 ? ? ? ? ? ? 801 MGD A O17 1 +HETATM 5624 N N18 . MGD C 3 . ? 77.180 42.691 24.111 1.00 25.35 ? ? ? ? ? ? 801 MGD A N18 1 +HETATM 5625 C C19 . MGD C 3 . ? 77.175 42.665 22.742 1.00 24.50 ? ? ? ? ? ? 801 MGD A C19 1 +HETATM 5626 N N19 . MGD C 3 . ? 76.335 43.470 22.081 1.00 24.40 ? ? ? ? ? ? 801 MGD A N19 1 +HETATM 5627 N N20 . MGD C 3 . ? 77.931 41.777 22.110 1.00 24.56 ? ? ? ? ? ? 801 MGD A N20 1 +HETATM 5628 C C21 . MGD C 3 . ? 78.702 40.874 22.779 1.00 25.27 ? ? ? ? ? ? 801 MGD A C21 1 +HETATM 5629 N N22 . MGD C 3 . ? 79.445 39.989 22.050 1.00 25.15 ? ? ? ? ? ? 801 MGD A N22 1 +HETATM 5630 C C23 . MGD C 3 . ? 80.282 39.058 22.798 1.00 24.47 ? ? ? ? ? ? 801 MGD A C23 1 +HETATM 5631 P PB . MGD D 3 . ? 76.352 41.696 31.651 1.00 17.69 ? ? ? ? ? ? 802 MGD A PB 1 +HETATM 5632 O O1B . MGD D 3 . ? 75.056 41.170 32.039 1.00 17.72 ? ? ? ? ? ? 802 MGD A O1B 1 +HETATM 5633 O O2B . MGD D 3 . ? 76.663 41.892 30.210 1.00 19.38 ? ? ? ? ? ? 802 MGD A O2B 1 +HETATM 5634 O O3B . MGD D 3 . ? 77.460 40.710 32.197 1.00 19.05 ? ? ? ? ? ? 802 MGD A O3B 1 +HETATM 5635 O O3A . MGD D 3 . ? 77.610 38.347 32.758 1.00 18.16 ? ? ? ? ? ? 802 MGD A O3A 1 +HETATM 5636 P PA . MGD D 3 . ? 77.633 39.767 33.462 1.00 20.83 ? ? ? ? ? ? 802 MGD A PA 1 +HETATM 5637 O O1A . MGD D 3 . ? 78.998 40.069 33.994 1.00 22.61 ? ? ? ? ? ? 802 MGD A O1A 1 +HETATM 5638 O O2A . MGD D 3 . ? 76.457 39.952 34.347 1.00 19.45 ? ? ? ? ? ? 802 MGD A O2A 1 +HETATM 5639 O "O5'" . MGD D 3 . ? 76.609 43.044 32.452 1.00 19.14 ? ? ? ? ? ? 802 MGD A "O5'" 1 +HETATM 5640 C "C5'" . MGD D 3 . ? 76.720 43.061 33.863 1.00 18.38 ? ? ? ? ? ? 802 MGD A "C5'" 1 +HETATM 5641 C "C4'" . MGD D 3 . ? 76.171 44.346 34.422 1.00 19.01 ? ? ? ? ? ? 802 MGD A "C4'" 1 +HETATM 5642 O "O4'" . MGD D 3 . ? 77.000 45.456 34.195 1.00 19.84 ? ? ? ? ? ? 802 MGD A "O4'" 1 +HETATM 5643 C "C3'" . MGD D 3 . ? 74.841 44.686 33.771 1.00 19.56 ? ? ? ? ? ? 802 MGD A "C3'" 1 +HETATM 5644 O "O3'" . MGD D 3 . ? 73.841 44.494 34.758 1.00 18.21 ? ? ? ? ? ? 802 MGD A "O3'" 1 +HETATM 5645 C "C2'" . MGD D 3 . ? 74.989 46.165 33.374 1.00 22.18 ? ? ? ? ? ? 802 MGD A "C2'" 1 +HETATM 5646 O "O2'" . MGD D 3 . ? 73.848 46.980 33.699 1.00 24.31 ? ? ? ? ? ? 802 MGD A "O2'" 1 +HETATM 5647 C "C1'" . MGD D 3 . ? 76.129 46.571 34.261 1.00 22.71 ? ? ? ? ? ? 802 MGD A "C1'" 1 +HETATM 5648 N N9 . MGD D 3 . ? 76.695 47.885 33.835 1.00 24.53 ? ? ? ? ? ? 802 MGD A N9 1 +HETATM 5649 C C8 . MGD D 3 . ? 76.501 48.611 32.675 1.00 24.52 ? ? ? ? ? ? 802 MGD A C8 1 +HETATM 5650 N N7 . MGD D 3 . ? 77.144 49.758 32.686 1.00 25.46 ? ? ? ? ? ? 802 MGD A N7 1 +HETATM 5651 C C5 . MGD D 3 . ? 77.797 49.778 33.924 1.00 22.86 ? ? ? ? ? ? 802 MGD A C5 1 +HETATM 5652 C C6 . MGD D 3 . ? 78.643 50.735 34.532 1.00 23.67 ? ? ? ? ? ? 802 MGD A C6 1 +HETATM 5653 O O6 . MGD D 3 . ? 79.020 51.771 33.961 1.00 25.14 ? ? ? ? ? ? 802 MGD A O6 1 +HETATM 5654 N N1 . MGD D 3 . ? 79.079 50.398 35.798 1.00 22.07 ? ? ? ? ? ? 802 MGD A N1 1 +HETATM 5655 C C2 . MGD D 3 . ? 78.728 49.233 36.424 1.00 21.22 ? ? ? ? ? ? 802 MGD A C2 1 +HETATM 5656 N N2 . MGD D 3 . ? 79.173 48.973 37.656 1.00 20.70 ? ? ? ? ? ? 802 MGD A N2 1 +HETATM 5657 N N3 . MGD D 3 . ? 77.945 48.358 35.831 1.00 20.89 ? ? ? ? ? ? 802 MGD A N3 1 +HETATM 5658 C C4 . MGD D 3 . ? 77.516 48.661 34.614 1.00 21.99 ? ? ? ? ? ? 802 MGD A C4 1 +HETATM 5659 C C10 . MGD D 3 . ? 78.463 38.088 31.653 1.00 21.04 ? ? ? ? ? ? 802 MGD A C10 1 +HETATM 5660 C C11 . MGD D 3 . ? 78.548 36.588 31.399 1.00 24.97 ? ? ? ? ? ? 802 MGD A C11 1 +HETATM 5661 O O11 . MGD D 3 . ? 77.241 36.029 31.265 1.00 24.82 ? ? ? ? ? ? 802 MGD A O11 1 +HETATM 5662 C C12 . MGD D 3 . ? 79.376 36.268 30.158 1.00 26.24 ? ? ? ? ? ? 802 MGD A C12 1 +HETATM 5663 S S12 . MGD D 3 . ? 80.927 37.086 29.902 1.00 27.37 ? ? ? ? ? ? 802 MGD A S12 1 +HETATM 5664 C C13 . MGD D 3 . ? 78.937 35.257 29.269 1.00 25.56 ? ? ? ? ? ? 802 MGD A C13 1 +HETATM 5665 S S13 . MGD D 3 . ? 79.812 34.934 27.768 1.00 25.87 ? ? ? ? ? ? 802 MGD A S13 1 +HETATM 5666 C C14 . MGD D 3 . ? 77.665 34.484 29.564 1.00 25.24 ? ? ? ? ? ? 802 MGD A C14 1 +HETATM 5667 N N15 . MGD D 3 . ? 76.599 34.947 28.694 1.00 25.48 ? ? ? ? ? ? 802 MGD A N15 1 +HETATM 5668 C C16 . MGD D 3 . ? 75.327 34.585 29.088 1.00 25.30 ? ? ? ? ? ? 802 MGD A C16 1 +HETATM 5669 C C17 . MGD D 3 . ? 74.235 34.677 28.161 1.00 24.95 ? ? ? ? ? ? 802 MGD A C17 1 +HETATM 5670 O O17 . MGD D 3 . ? 74.401 34.871 26.952 1.00 22.56 ? ? ? ? ? ? 802 MGD A O17 1 +HETATM 5671 N N18 . MGD D 3 . ? 72.977 34.361 28.661 1.00 25.20 ? ? ? ? ? ? 802 MGD A N18 1 +HETATM 5672 C C19 . MGD D 3 . ? 72.792 33.964 29.960 1.00 24.86 ? ? ? ? ? ? 802 MGD A C19 1 +HETATM 5673 N N19 . MGD D 3 . ? 71.579 33.792 30.442 1.00 24.71 ? ? ? ? ? ? 802 MGD A N19 1 +HETATM 5674 N N20 . MGD D 3 . ? 73.819 33.856 30.785 1.00 25.71 ? ? ? ? ? ? 802 MGD A N20 1 +HETATM 5675 C C21 . MGD D 3 . ? 75.086 34.165 30.402 1.00 25.20 ? ? ? ? ? ? 802 MGD A C21 1 +HETATM 5676 N N22 . MGD D 3 . ? 76.093 34.017 31.309 1.00 24.42 ? ? ? ? ? ? 802 MGD A N22 1 +HETATM 5677 C C23 . MGD D 3 . ? 77.332 34.675 30.988 1.00 23.87 ? ? ? ? ? ? 802 MGD A C23 1 +HETATM 5678 MO MO . 6MO E 4 . ? 81.790 36.367 27.811 1.00 25.13 ? ? ? ? ? ? 803 6MO A MO 1 +HETATM 5679 O O . HOH F 5 . ? 81.358 38.259 34.297 1.00 24.12 ? ? ? ? ? ? 804 HOH A O 1 +HETATM 5680 O O . HOH F 5 . ? 80.409 21.561 39.837 1.00 12.20 ? ? ? ? ? ? 805 HOH A O 1 +HETATM 5681 O O . HOH F 5 . ? 80.037 14.428 6.768 1.00 20.21 ? ? ? ? ? ? 806 HOH A O 1 +HETATM 5682 O O . HOH F 5 . ? 95.810 16.515 1.749 1.00 14.32 ? ? ? ? ? ? 807 HOH A O 1 +HETATM 5683 O O . HOH F 5 . ? 84.522 59.799 54.567 1.00 42.64 ? ? ? ? ? ? 808 HOH A O 1 +HETATM 5684 O O . HOH F 5 . ? 87.359 45.090 54.214 1.00 27.25 ? ? ? ? ? ? 809 HOH A O 1 +HETATM 5685 O O . HOH F 5 . ? 87.324 41.864 47.800 1.00 21.09 ? ? ? ? ? ? 810 HOH A O 1 +HETATM 5686 O O . HOH F 5 . ? 84.945 29.168 31.957 1.00 4.52 ? ? ? ? ? ? 811 HOH A O 1 +HETATM 5687 O O . HOH F 5 . ? 105.599 29.979 19.702 1.00 2.74 ? ? ? ? ? ? 812 HOH A O 1 +HETATM 5688 O O . HOH F 5 . ? 94.045 40.256 3.432 1.00 2.00 ? ? ? ? ? ? 813 HOH A O 1 +HETATM 5689 O O . HOH F 5 . ? 80.072 29.504 14.018 1.00 17.24 ? ? ? ? ? ? 814 HOH A O 1 +HETATM 5690 O O . HOH F 5 . ? 84.836 18.132 19.331 1.00 49.70 ? ? ? ? ? ? 815 HOH A O 1 +HETATM 5691 O O . HOH F 5 . ? 79.214 15.100 26.489 1.00 19.99 ? ? ? ? ? ? 816 HOH A O 1 +HETATM 5692 O O . HOH F 5 . ? 85.303 16.223 37.244 1.00 8.62 ? ? ? ? ? ? 817 HOH A O 1 +HETATM 5693 O O . HOH F 5 . ? 93.303 13.363 13.527 1.00 67.43 ? ? ? ? ? ? 818 HOH A O 1 +HETATM 5694 O O . HOH F 5 . ? 73.450 13.032 18.238 1.00 11.85 ? ? ? ? ? ? 819 HOH A O 1 +HETATM 5695 O O . HOH F 5 . ? 84.144 22.916 34.781 1.00 14.44 ? ? ? ? ? ? 820 HOH A O 1 +HETATM 5696 O O . HOH F 5 . ? 80.161 25.175 32.892 1.00 11.56 ? ? ? ? ? ? 821 HOH A O 1 +HETATM 5697 O O . HOH F 5 . ? 83.181 25.080 33.483 1.00 22.54 ? ? ? ? ? ? 822 HOH A O 1 +HETATM 5698 O O . HOH F 5 . ? 61.014 34.591 30.958 1.00 43.61 ? ? ? ? ? ? 823 HOH A O 1 +HETATM 5699 O O . HOH F 5 . ? 76.138 20.713 6.701 1.00 38.77 ? ? ? ? ? ? 824 HOH A O 1 +HETATM 5700 O O . HOH F 5 . ? 89.195 32.135 37.198 1.00 19.28 ? ? ? ? ? ? 825 HOH A O 1 +HETATM 5701 O O . HOH F 5 . ? 96.026 47.595 41.456 1.00 19.60 ? ? ? ? ? ? 826 HOH A O 1 +HETATM 5702 O O . HOH F 5 . ? 71.793 20.954 28.676 1.00 54.73 ? ? ? ? ? ? 827 HOH A O 1 +HETATM 5703 O O . HOH F 5 . ? 78.456 21.815 22.410 1.00 21.87 ? ? ? ? ? ? 828 HOH A O 1 +HETATM 5704 O O . HOH F 5 . ? 81.931 18.796 40.832 1.00 16.07 ? ? ? ? ? ? 829 HOH A O 1 +HETATM 5705 O O . HOH F 5 . ? 66.609 29.986 36.766 1.00 8.38 ? ? ? ? ? ? 830 HOH A O 1 +HETATM 5706 O O . HOH F 5 . ? 73.469 31.792 33.224 1.00 19.68 ? ? ? ? ? ? 831 HOH A O 1 +HETATM 5707 O O . HOH F 5 . ? 69.227 21.216 17.131 1.00 20.12 ? ? ? ? ? ? 832 HOH A O 1 +HETATM 5708 O O . HOH F 5 . ? 69.221 22.034 14.334 1.00 16.58 ? ? ? ? ? ? 833 HOH A O 1 +HETATM 5709 O O . HOH F 5 . ? 84.183 15.210 -2.572 1.00 20.94 ? ? ? ? ? ? 834 HOH A O 1 +HETATM 5710 O O . HOH F 5 . ? 92.218 21.801 -4.426 1.00 40.82 ? ? ? ? ? ? 835 HOH A O 1 +HETATM 5711 O O . HOH F 5 . ? 103.031 18.676 1.949 1.00 26.69 ? ? ? ? ? ? 836 HOH A O 1 +HETATM 5712 O O . HOH F 5 . ? 86.353 24.497 24.797 1.00 3.06 ? ? ? ? ? ? 837 HOH A O 1 +HETATM 5713 O O . HOH F 5 . ? 83.312 25.051 21.182 1.00 5.33 ? ? ? ? ? ? 838 HOH A O 1 +HETATM 5714 O O . HOH F 5 . ? 93.413 37.027 41.122 1.00 30.46 ? ? ? ? ? ? 839 HOH A O 1 +HETATM 5715 O O . HOH F 5 . ? 82.906 29.098 51.494 1.00 23.32 ? ? ? ? ? ? 840 HOH A O 1 +HETATM 5716 O O . HOH F 5 . ? 84.229 53.557 33.137 1.00 27.47 ? ? ? ? ? ? 841 HOH A O 1 +HETATM 5717 O O . HOH F 5 . ? 98.424 38.024 53.239 1.00 23.51 ? ? ? ? ? ? 842 HOH A O 1 +HETATM 5718 O O . HOH F 5 . ? 95.864 38.614 54.007 1.00 13.64 ? ? ? ? ? ? 843 HOH A O 1 +HETATM 5719 O O . HOH F 5 . ? 102.563 40.068 48.952 1.00 18.31 ? ? ? ? ? ? 844 HOH A O 1 +HETATM 5720 O O . HOH F 5 . ? 100.493 59.810 41.470 1.00 25.58 ? ? ? ? ? ? 845 HOH A O 1 +HETATM 5721 O O . HOH F 5 . ? 102.373 32.398 34.442 1.00 14.12 ? ? ? ? ? ? 846 HOH A O 1 +HETATM 5722 O O . HOH F 5 . ? 108.842 20.842 34.381 1.00 33.23 ? ? ? ? ? ? 847 HOH A O 1 +HETATM 5723 O O . HOH F 5 . ? 110.752 19.771 26.373 1.00 16.13 ? ? ? ? ? ? 848 HOH A O 1 +HETATM 5724 O O . HOH F 5 . ? 82.603 36.078 18.419 1.00 52.97 ? ? ? ? ? ? 849 HOH A O 1 +HETATM 5725 O O . HOH F 5 . ? 76.248 29.368 20.638 1.00 17.52 ? ? ? ? ? ? 850 HOH A O 1 +HETATM 5726 O O . HOH F 5 . ? 87.890 44.598 7.256 1.00 35.03 ? ? ? ? ? ? 851 HOH A O 1 +HETATM 5727 O O . HOH F 5 . ? 88.009 11.374 24.095 1.00 24.34 ? ? ? ? ? ? 852 HOH A O 1 +HETATM 5728 O O . HOH F 5 . ? 84.724 26.415 44.249 1.00 10.17 ? ? ? ? ? ? 853 HOH A O 1 +HETATM 5729 O O . HOH F 5 . ? 93.615 11.982 16.039 1.00 10.89 ? ? ? ? ? ? 854 HOH A O 1 +HETATM 5730 O O . HOH F 5 . ? 105.002 16.305 27.044 1.00 35.98 ? ? ? ? ? ? 855 HOH A O 1 +HETATM 5731 O O . HOH F 5 . ? 102.070 26.920 41.837 1.00 23.46 ? ? ? ? ? ? 856 HOH A O 1 +HETATM 5732 O O . HOH F 5 . ? 76.515 12.953 40.386 1.00 43.93 ? ? ? ? ? ? 857 HOH A O 1 +HETATM 5733 O O . HOH F 5 . ? 98.601 26.980 45.477 1.00 20.58 ? ? ? ? ? ? 858 HOH A O 1 +HETATM 5734 O O . HOH F 5 . ? 73.624 29.438 22.395 1.00 2.00 ? ? ? ? ? ? 859 HOH A O 1 +HETATM 5735 O O . HOH F 5 . ? 55.504 54.390 11.739 1.00 47.62 ? ? ? ? ? ? 860 HOH A O 1 +HETATM 5736 O O . HOH F 5 . ? 83.386 35.012 28.255 1.00 13.46 ? ? ? ? ? ? 861 HOH A O 1 +HETATM 5737 O O . HOH F 5 . ? 86.697 36.010 29.572 1.00 8.53 ? ? ? ? ? ? 862 HOH A O 1 +HETATM 5738 O O . HOH F 5 . ? 97.405 36.021 33.634 1.00 17.70 ? ? ? ? ? ? 863 HOH A O 1 +HETATM 5739 O O . HOH F 5 . ? 92.794 33.636 32.756 1.00 27.01 ? ? ? ? ? ? 864 HOH A O 1 +HETATM 5740 O O . HOH F 5 . ? 86.782 38.941 14.152 1.00 30.04 ? ? ? ? ? ? 865 HOH A O 1 +HETATM 5741 O O . HOH F 5 . ? 77.273 45.666 5.691 1.00 12.44 ? ? ? ? ? ? 866 HOH A O 1 +HETATM 5742 O O . HOH F 5 . ? 76.141 43.649 8.825 1.00 17.25 ? ? ? ? ? ? 867 HOH A O 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 MET 1 1 1 MET MET A . n +A 1 2 LYS 2 2 2 LYS LYS A . n +A 1 3 LYS 3 3 3 LYS LYS A . n +A 1 4 VAL 4 4 4 VAL VAL A . n +A 1 5 VAL 5 5 5 VAL VAL A . n +A 1 6 THR 6 6 6 THR THR A . n +A 1 7 VAL 7 7 7 VAL VAL A . n +A 1 8 CYS 8 8 8 CYS CYS A . n +A 1 9 PRO 9 9 9 PRO PRO A . n +A 1 10 TYR 10 10 10 TYR TYR A . n +A 1 11 CYS 11 11 11 CYS CYS A . n +A 1 12 ALA 12 12 12 ALA ALA A . n +A 1 13 SER 13 13 13 SER SER A . n +A 1 14 GLY 14 14 14 GLY GLY A . n +A 1 15 CYS 15 15 15 CYS CYS A . n +A 1 16 LYS 16 16 16 LYS LYS A . n +A 1 17 ILE 17 17 17 ILE ILE A . n +A 1 18 ASN 18 18 18 ASN ASN A . n +A 1 19 LEU 19 19 19 LEU LEU A . n +A 1 20 VAL 20 20 20 VAL VAL A . n +A 1 21 VAL 21 21 21 VAL VAL A . n +A 1 22 ASP 22 22 22 ASP ASP A . n +A 1 23 ASN 23 23 23 ASN ASN A . n +A 1 24 GLY 24 24 24 GLY GLY A . n +A 1 25 LYS 25 25 25 LYS LYS A . n +A 1 26 ILE 26 26 26 ILE ILE A . n +A 1 27 VAL 27 27 27 VAL VAL A . n +A 1 28 ARG 28 28 28 ARG ARG A . n +A 1 29 ALA 29 29 29 ALA ALA A . n +A 1 30 GLU 30 30 30 GLU GLU A . n +A 1 31 ALA 31 31 31 ALA ALA A . n +A 1 32 ALA 32 32 32 ALA ALA A . n +A 1 33 GLN 33 33 33 GLN GLN A . n +A 1 34 GLY 34 34 34 GLY GLY A . n +A 1 35 LYS 35 35 35 LYS LYS A . n +A 1 36 THR 36 36 36 THR THR A . n +A 1 37 ASN 37 37 37 ASN ASN A . n +A 1 38 GLN 38 38 38 GLN GLN A . n +A 1 39 GLY 39 39 39 GLY GLY A . n +A 1 40 THR 40 40 40 THR THR A . n +A 1 41 LEU 41 41 41 LEU LEU A . n +A 1 42 CYS 42 42 42 CYS CYS A . n +A 1 43 LEU 43 43 43 LEU LEU A . n +A 1 44 LYS 44 44 44 LYS LYS A . n +A 1 45 GLY 45 45 45 GLY GLY A . n +A 1 46 TYR 46 46 46 TYR TYR A . n +A 1 47 TYR 47 47 47 TYR TYR A . n +A 1 48 GLY 48 48 48 GLY GLY A . n +A 1 49 TRP 49 49 49 TRP TRP A . n +A 1 50 ASP 50 50 50 ASP ASP A . n +A 1 51 PHE 51 51 51 PHE PHE A . n +A 1 52 ILE 52 52 52 ILE ILE A . n +A 1 53 ASN 53 53 53 ASN ASN A . n +A 1 54 ASP 54 54 54 ASP ASP A . n +A 1 55 THR 55 55 55 THR THR A . n +A 1 56 GLN 56 56 56 GLN GLN A . n +A 1 57 ILE 57 57 57 ILE ILE A . n +A 1 58 LEU 58 58 58 LEU LEU A . n +A 1 59 THR 59 59 59 THR THR A . n +A 1 60 PRO 60 60 60 PRO PRO A . n +A 1 61 ARG 61 61 61 ARG ARG A . n +A 1 62 LEU 62 62 62 LEU LEU A . n +A 1 63 LYS 63 63 63 LYS LYS A . n +A 1 64 THR 64 64 64 THR THR A . n +A 1 65 PRO 65 65 65 PRO PRO A . n +A 1 66 MET 66 66 66 MET MET A . n +A 1 67 ILE 67 67 67 ILE ILE A . n +A 1 68 ARG 68 68 68 ARG ARG A . n +A 1 69 ARG 69 69 69 ARG ARG A . n +A 1 70 GLN 70 70 70 GLN GLN A . n +A 1 71 ARG 71 71 71 ARG ARG A . n +A 1 72 GLY 72 72 72 GLY GLY A . n +A 1 73 GLY 73 73 73 GLY GLY A . n +A 1 74 LYS 74 74 74 LYS LYS A . n +A 1 75 LEU 75 75 75 LEU LEU A . n +A 1 76 GLU 76 76 76 GLU GLU A . n +A 1 77 PRO 77 77 77 PRO PRO A . n +A 1 78 VAL 78 78 78 VAL VAL A . n +A 1 79 SER 79 79 79 SER SER A . n +A 1 80 TRP 80 80 80 TRP TRP A . n +A 1 81 ASP 81 81 81 ASP ASP A . n +A 1 82 GLU 82 82 82 GLU GLU A . n +A 1 83 ALA 83 83 83 ALA ALA A . n +A 1 84 LEU 84 84 84 LEU LEU A . n +A 1 85 ASN 85 85 85 ASN ASN A . n +A 1 86 TYR 86 86 86 TYR TYR A . n +A 1 87 VAL 87 87 87 VAL VAL A . n +A 1 88 ALA 88 88 88 ALA ALA A . n +A 1 89 GLU 89 89 89 GLU GLU A . n +A 1 90 ARG 90 90 90 ARG ARG A . n +A 1 91 LEU 91 91 91 LEU LEU A . n +A 1 92 SER 92 92 92 SER SER A . n +A 1 93 ALA 93 93 93 ALA ALA A . n +A 1 94 ILE 94 94 94 ILE ILE A . n +A 1 95 LYS 95 95 95 LYS LYS A . n +A 1 96 GLU 96 96 96 GLU GLU A . n +A 1 97 LYS 97 97 97 LYS LYS A . n +A 1 98 TYR 98 98 98 TYR TYR A . n +A 1 99 GLY 99 99 99 GLY GLY A . n +A 1 100 PRO 100 100 100 PRO PRO A . n +A 1 101 ASP 101 101 101 ASP ASP A . n +A 1 102 ALA 102 102 102 ALA ALA A . n +A 1 103 ILE 103 103 103 ILE ILE A . n +A 1 104 GLN 104 104 104 GLN GLN A . n +A 1 105 THR 105 105 105 THR THR A . n +A 1 106 THR 106 106 106 THR THR A . n +A 1 107 GLY 107 107 107 GLY GLY A . n +A 1 108 SER 108 108 108 SER SER A . n +A 1 109 SER 109 109 109 SER SER A . n +A 1 110 ARG 110 110 110 ARG ARG A . n +A 1 111 GLY 111 111 111 GLY GLY A . n +A 1 112 THR 112 112 112 THR THR A . n +A 1 113 GLY 113 113 113 GLY GLY A . n +A 1 114 ASN 114 114 114 ASN ASN A . n +A 1 115 GLU 115 115 115 GLU GLU A . n +A 1 116 THR 116 116 116 THR THR A . n +A 1 117 ASN 117 117 117 ASN ASN A . n +A 1 118 TYR 118 118 118 TYR TYR A . n +A 1 119 VAL 119 119 119 VAL VAL A . n +A 1 120 MET 120 120 120 MET MET A . n +A 1 121 GLN 121 121 121 GLN GLN A . n +A 1 122 LYS 122 122 122 LYS LYS A . n +A 1 123 PHE 123 123 123 PHE PHE A . n +A 1 124 ALA 124 124 124 ALA ALA A . n +A 1 125 ARG 125 125 125 ARG ARG A . n +A 1 126 ALA 126 126 126 ALA ALA A . n +A 1 127 VAL 127 127 127 VAL VAL A . n +A 1 128 ILE 128 128 128 ILE ILE A . n +A 1 129 GLY 129 129 129 GLY GLY A . n +A 1 130 THR 130 130 130 THR THR A . n +A 1 131 ASN 131 131 131 ASN ASN A . n +A 1 132 ASN 132 132 132 ASN ASN A . n +A 1 133 VAL 133 133 133 VAL VAL A . n +A 1 134 ASP 134 134 134 ASP ASP A . n +A 1 135 CYS 135 135 135 CYS CYS A . n +A 1 136 CYS 136 136 136 CYS CYS A . n +A 1 137 ALA 137 137 137 ALA ALA A . n +A 1 138 ARG 138 138 138 ARG ARG A . n +A 1 139 VAL 139 139 139 VAL VAL A . n +A 1 140 CSE 140 140 140 CSE CSE A . n +A 1 141 HIS 141 141 141 HIS HIS A . n +A 1 142 GLY 142 142 142 GLY GLY A . n +A 1 143 PRO 143 143 143 PRO PRO A . n +A 1 144 SER 144 144 144 SER SER A . n +A 1 145 VAL 145 145 145 VAL VAL A . n +A 1 146 ALA 146 146 146 ALA ALA A . n +A 1 147 GLY 147 147 147 GLY GLY A . n +A 1 148 LEU 148 148 148 LEU LEU A . n +A 1 149 HIS 149 149 149 HIS HIS A . n +A 1 150 GLN 150 150 150 GLN GLN A . n +A 1 151 SER 151 151 151 SER SER A . n +A 1 152 VAL 152 152 152 VAL VAL A . n +A 1 153 GLY 153 153 153 GLY GLY A . n +A 1 154 ASN 154 154 154 ASN ASN A . n +A 1 155 GLY 155 155 155 GLY GLY A . n +A 1 156 ALA 156 156 156 ALA ALA A . n +A 1 157 MET 157 157 157 MET MET A . n +A 1 158 SER 158 158 158 SER SER A . n +A 1 159 ASN 159 159 159 ASN ASN A . n +A 1 160 ALA 160 160 160 ALA ALA A . n +A 1 161 ILE 161 161 161 ILE ILE A . n +A 1 162 ASN 162 162 162 ASN ASN A . n +A 1 163 GLU 163 163 163 GLU GLU A . n +A 1 164 ILE 164 164 164 ILE ILE A . n +A 1 165 ASP 165 165 165 ASP ASP A . n +A 1 166 ASN 166 166 166 ASN ASN A . n +A 1 167 THR 167 167 167 THR THR A . n +A 1 168 ASP 168 168 168 ASP ASP A . n +A 1 169 LEU 169 169 169 LEU LEU A . n +A 1 170 VAL 170 170 170 VAL VAL A . n +A 1 171 PHE 171 171 171 PHE PHE A . n +A 1 172 VAL 172 172 172 VAL VAL A . n +A 1 173 PHE 173 173 173 PHE PHE A . n +A 1 174 GLY 174 174 174 GLY GLY A . n +A 1 175 TYR 175 175 175 TYR TYR A . n +A 1 176 ASN 176 176 176 ASN ASN A . n +A 1 177 PRO 177 177 177 PRO PRO A . n +A 1 178 ALA 178 178 178 ALA ALA A . n +A 1 179 ASP 179 179 179 ASP ASP A . n +A 1 180 SER 180 180 180 SER SER A . n +A 1 181 HIS 181 181 181 HIS HIS A . n +A 1 182 PRO 182 182 182 PRO PRO A . n +A 1 183 ILE 183 183 183 ILE ILE A . n +A 1 184 VAL 184 184 184 VAL VAL A . n +A 1 185 ALA 185 185 185 ALA ALA A . n +A 1 186 ASN 186 186 186 ASN ASN A . n +A 1 187 HIS 187 187 187 HIS HIS A . n +A 1 188 VAL 188 188 188 VAL VAL A . n +A 1 189 ILE 189 189 189 ILE ILE A . n +A 1 190 ASN 190 190 190 ASN ASN A . n +A 1 191 ALA 191 191 191 ALA ALA A . n +A 1 192 LYS 192 192 192 LYS LYS A . n +A 1 193 ARG 193 193 193 ARG ARG A . n +A 1 194 ASN 194 194 194 ASN ASN A . n +A 1 195 GLY 195 195 195 GLY GLY A . n +A 1 196 ALA 196 196 196 ALA ALA A . n +A 1 197 LYS 197 197 197 LYS LYS A . n +A 1 198 ILE 198 198 198 ILE ILE A . n +A 1 199 ILE 199 199 199 ILE ILE A . n +A 1 200 VAL 200 200 200 VAL VAL A . n +A 1 201 CYS 201 201 201 CYS CYS A . n +A 1 202 ASP 202 202 202 ASP ASP A . n +A 1 203 PRO 203 203 203 PRO PRO A . n +A 1 204 ARG 204 204 204 ARG ARG A . n +A 1 205 LYS 205 205 205 LYS LYS A . n +A 1 206 ILE 206 206 206 ILE ILE A . n +A 1 207 GLU 207 207 207 GLU GLU A . n +A 1 208 THR 208 208 208 THR THR A . n +A 1 209 ALA 209 209 209 ALA ALA A . n +A 1 210 ARG 210 210 210 ARG ARG A . n +A 1 211 ILE 211 211 211 ILE ILE A . n +A 1 212 ALA 212 212 212 ALA ALA A . n +A 1 213 ASP 213 213 213 ASP ASP A . n +A 1 214 MET 214 214 214 MET MET A . n +A 1 215 HIS 215 215 215 HIS HIS A . n +A 1 216 ILE 216 216 216 ILE ILE A . n +A 1 217 ALA 217 217 217 ALA ALA A . n +A 1 218 LEU 218 218 218 LEU LEU A . n +A 1 219 LYS 219 219 219 LYS LYS A . n +A 1 220 ASN 220 220 220 ASN ASN A . n +A 1 221 GLY 221 221 221 GLY GLY A . n +A 1 222 SER 222 222 222 SER SER A . n +A 1 223 ASN 223 223 223 ASN ASN A . n +A 1 224 ILE 224 224 224 ILE ILE A . n +A 1 225 ALA 225 225 225 ALA ALA A . n +A 1 226 LEU 226 226 226 LEU LEU A . n +A 1 227 LEU 227 227 227 LEU LEU A . n +A 1 228 ASN 228 228 228 ASN ASN A . n +A 1 229 ALA 229 229 229 ALA ALA A . n +A 1 230 MET 230 230 230 MET MET A . n +A 1 231 GLY 231 231 231 GLY GLY A . n +A 1 232 HIS 232 232 232 HIS HIS A . n +A 1 233 VAL 233 233 233 VAL VAL A . n +A 1 234 ILE 234 234 234 ILE ILE A . n +A 1 235 ILE 235 235 235 ILE ILE A . n +A 1 236 GLU 236 236 236 GLU GLU A . n +A 1 237 GLU 237 237 237 GLU GLU A . n +A 1 238 ASN 238 238 238 ASN ASN A . n +A 1 239 LEU 239 239 239 LEU LEU A . n +A 1 240 TYR 240 240 240 TYR TYR A . n +A 1 241 ASP 241 241 241 ASP ASP A . n +A 1 242 LYS 242 242 242 LYS LYS A . n +A 1 243 ALA 243 243 243 ALA ALA A . n +A 1 244 PHE 244 244 244 PHE PHE A . n +A 1 245 VAL 245 245 245 VAL VAL A . n +A 1 246 ALA 246 246 246 ALA ALA A . n +A 1 247 SER 247 247 247 SER SER A . n +A 1 248 ARG 248 248 248 ARG ARG A . n +A 1 249 THR 249 249 249 THR THR A . n +A 1 250 GLU 250 250 250 GLU GLU A . n +A 1 251 GLY 251 251 251 GLY GLY A . n +A 1 252 PHE 252 252 252 PHE PHE A . n +A 1 253 GLU 253 253 253 GLU GLU A . n +A 1 254 GLU 254 254 254 GLU GLU A . n +A 1 255 TYR 255 255 255 TYR TYR A . n +A 1 256 ARG 256 256 256 ARG ARG A . n +A 1 257 LYS 257 257 257 LYS LYS A . n +A 1 258 ILE 258 258 258 ILE ILE A . n +A 1 259 VAL 259 259 259 VAL VAL A . n +A 1 260 GLU 260 260 260 GLU GLU A . n +A 1 261 GLY 261 261 261 GLY GLY A . n +A 1 262 TYR 262 262 262 TYR TYR A . n +A 1 263 THR 263 263 263 THR THR A . n +A 1 264 PRO 264 264 264 PRO PRO A . n +A 1 265 GLU 265 265 265 GLU GLU A . n +A 1 266 SER 266 266 266 SER SER A . n +A 1 267 VAL 267 267 267 VAL VAL A . n +A 1 268 GLU 268 268 268 GLU GLU A . n +A 1 269 ASP 269 269 269 ASP ASP A . n +A 1 270 ILE 270 270 270 ILE ILE A . n +A 1 271 THR 271 271 271 THR THR A . n +A 1 272 GLY 272 272 272 GLY GLY A . n +A 1 273 VAL 273 273 273 VAL VAL A . n +A 1 274 SER 274 274 274 SER SER A . n +A 1 275 ALA 275 275 275 ALA ALA A . n +A 1 276 SER 276 276 276 SER SER A . n +A 1 277 GLU 277 277 277 GLU GLU A . n +A 1 278 ILE 278 278 278 ILE ILE A . n +A 1 279 ARG 279 279 279 ARG ARG A . n +A 1 280 GLN 280 280 280 GLN GLN A . n +A 1 281 ALA 281 281 281 ALA ALA A . n +A 1 282 ALA 282 282 282 ALA ALA A . n +A 1 283 ARG 283 283 283 ARG ARG A . n +A 1 284 MET 284 284 284 MET MET A . n +A 1 285 TYR 285 285 285 TYR TYR A . n +A 1 286 ALA 286 286 286 ALA ALA A . n +A 1 287 GLN 287 287 287 GLN GLN A . n +A 1 288 ALA 288 288 288 ALA ALA A . n +A 1 289 LYS 289 289 289 LYS LYS A . n +A 1 290 SER 290 290 290 SER SER A . n +A 1 291 ALA 291 291 291 ALA ALA A . n +A 1 292 ALA 292 292 292 ALA ALA A . n +A 1 293 ILE 293 293 293 ILE ILE A . n +A 1 294 LEU 294 294 294 LEU LEU A . n +A 1 295 TRP 295 295 295 TRP TRP A . n +A 1 296 GLY 296 296 296 GLY GLY A . n +A 1 297 MET 297 297 297 MET MET A . n +A 1 298 GLY 298 298 298 GLY GLY A . n +A 1 299 VAL 299 299 299 VAL VAL A . n +A 1 300 THR 300 300 300 THR THR A . n +A 1 301 GLN 301 301 301 GLN GLN A . n +A 1 302 PHE 302 302 302 PHE PHE A . n +A 1 303 TYR 303 303 303 TYR TYR A . n +A 1 304 GLN 304 304 304 GLN GLN A . n +A 1 305 GLY 305 305 305 GLY GLY A . n +A 1 306 VAL 306 306 306 VAL VAL A . n +A 1 307 GLU 307 307 307 GLU GLU A . n +A 1 308 THR 308 308 308 THR THR A . n +A 1 309 VAL 309 309 309 VAL VAL A . n +A 1 310 ARG 310 310 310 ARG ARG A . n +A 1 311 SER 311 311 311 SER SER A . n +A 1 312 LEU 312 312 312 LEU LEU A . n +A 1 313 THR 313 313 313 THR THR A . n +A 1 314 SER 314 314 314 SER SER A . n +A 1 315 LEU 315 315 315 LEU LEU A . n +A 1 316 ALA 316 316 316 ALA ALA A . n +A 1 317 MET 317 317 317 MET MET A . n +A 1 318 LEU 318 318 318 LEU LEU A . n +A 1 319 THR 319 319 319 THR THR A . n +A 1 320 GLY 320 320 320 GLY GLY A . n +A 1 321 ASN 321 321 321 ASN ASN A . n +A 1 322 LEU 322 322 322 LEU LEU A . n +A 1 323 GLY 323 323 323 GLY GLY A . n +A 1 324 LYS 324 324 324 LYS LYS A . n +A 1 325 PRO 325 325 325 PRO PRO A . n +A 1 326 HIS 326 326 326 HIS HIS A . n +A 1 327 ALA 327 327 327 ALA ALA A . n +A 1 328 GLY 328 328 328 GLY GLY A . n +A 1 329 VAL 329 329 329 VAL VAL A . n +A 1 330 ASN 330 330 330 ASN ASN A . n +A 1 331 PRO 331 331 331 PRO PRO A . n +A 1 332 VAL 332 332 332 VAL VAL A . n +A 1 333 ARG 333 333 333 ARG ARG A . n +A 1 334 GLY 334 334 334 GLY GLY A . n +A 1 335 GLN 335 335 335 GLN GLN A . n +A 1 336 ASN 336 336 336 ASN ASN A . n +A 1 337 ASN 337 337 337 ASN ASN A . n +A 1 338 VAL 338 338 338 VAL VAL A . n +A 1 339 GLN 339 339 339 GLN GLN A . n +A 1 340 GLY 340 340 340 GLY GLY A . n +A 1 341 ALA 341 341 341 ALA ALA A . n +A 1 342 CYS 342 342 342 CYS CYS A . n +A 1 343 ASP 343 343 343 ASP ASP A . n +A 1 344 MET 344 344 344 MET MET A . n +A 1 345 GLY 345 345 345 GLY GLY A . n +A 1 346 ALA 346 346 346 ALA ALA A . n +A 1 347 LEU 347 347 347 LEU LEU A . n +A 1 348 PRO 348 348 348 PRO PRO A . n +A 1 349 ASP 349 349 349 ASP ASP A . n +A 1 350 THR 350 350 350 THR THR A . n +A 1 351 TYR 351 351 351 TYR TYR A . n +A 1 352 PRO 352 352 352 PRO PRO A . n +A 1 353 GLY 353 353 353 GLY GLY A . n +A 1 354 TYR 354 354 354 TYR TYR A . n +A 1 355 GLN 355 355 355 GLN GLN A . n +A 1 356 TYR 356 356 356 TYR TYR A . n +A 1 357 VAL 357 357 357 VAL VAL A . n +A 1 358 LYS 358 358 358 LYS LYS A . n +A 1 359 ASP 359 359 359 ASP ASP A . n +A 1 360 PRO 360 360 360 PRO PRO A . n +A 1 361 ALA 361 361 361 ALA ALA A . n +A 1 362 ASN 362 362 362 ASN ASN A . n +A 1 363 ARG 363 363 363 ARG ARG A . n +A 1 364 GLU 364 364 364 GLU GLU A . n +A 1 365 LYS 365 365 365 LYS LYS A . n +A 1 366 PHE 366 366 366 PHE PHE A . n +A 1 367 ALA 367 367 367 ALA ALA A . n +A 1 368 LYS 368 368 368 LYS LYS A . n +A 1 369 ALA 369 369 369 ALA ALA A . n +A 1 370 TRP 370 370 370 TRP TRP A . n +A 1 371 GLY 371 371 371 GLY GLY A . n +A 1 372 VAL 372 372 372 VAL VAL A . n +A 1 373 GLU 373 373 373 GLU GLU A . n +A 1 374 SER 374 374 374 SER SER A . n +A 1 375 LEU 375 375 375 LEU LEU A . n +A 1 376 PRO 376 376 376 PRO PRO A . n +A 1 377 ALA 377 377 377 ALA ALA A . n +A 1 378 HIS 378 378 378 HIS HIS A . n +A 1 379 THR 379 379 379 THR THR A . n +A 1 380 GLY 380 380 380 GLY GLY A . n +A 1 381 TYR 381 381 381 TYR TYR A . n +A 1 382 ARG 382 382 382 ARG ARG A . n +A 1 383 ILE 383 383 383 ILE ILE A . n +A 1 384 SER 384 384 384 SER SER A . n +A 1 385 GLU 385 385 385 GLU GLU A . n +A 1 386 LEU 386 386 386 LEU LEU A . n +A 1 387 PRO 387 387 387 PRO PRO A . n +A 1 388 HIS 388 388 388 HIS HIS A . n +A 1 389 ARG 389 389 389 ARG ARG A . n +A 1 390 ALA 390 390 390 ALA ALA A . n +A 1 391 ALA 391 391 391 ALA ALA A . n +A 1 392 HIS 392 392 392 HIS HIS A . n +A 1 393 GLY 393 393 393 GLY GLY A . n +A 1 394 GLU 394 394 394 GLU GLU A . n +A 1 395 VAL 395 395 395 VAL VAL A . n +A 1 396 ARG 396 396 396 ARG ARG A . n +A 1 397 ALA 397 397 397 ALA ALA A . n +A 1 398 ALA 398 398 398 ALA ALA A . n +A 1 399 TYR 399 399 399 TYR TYR A . n +A 1 400 ILE 400 400 400 ILE ILE A . n +A 1 401 MET 401 401 401 MET MET A . n +A 1 402 GLY 402 402 402 GLY GLY A . n +A 1 403 GLU 403 403 403 GLU GLU A . n +A 1 404 ASP 404 404 404 ASP ASP A . n +A 1 405 PRO 405 405 405 PRO PRO A . n +A 1 406 LEU 406 406 406 LEU LEU A . n +A 1 407 GLN 407 407 407 GLN GLN A . n +A 1 408 THR 408 408 408 THR THR A . n +A 1 409 ASP 409 409 409 ASP ASP A . n +A 1 410 ALA 410 410 410 ALA ALA A . n +A 1 411 GLU 411 411 411 GLU GLU A . n +A 1 412 LEU 412 412 412 LEU LEU A . n +A 1 413 SER 413 413 413 SER SER A . n +A 1 414 ALA 414 414 414 ALA ALA A . n +A 1 415 VAL 415 415 415 VAL VAL A . n +A 1 416 ARG 416 416 416 ARG ARG A . n +A 1 417 LYS 417 417 417 LYS LYS A . n +A 1 418 ALA 418 418 418 ALA ALA A . n +A 1 419 PHE 419 419 419 PHE PHE A . n +A 1 420 GLU 420 420 420 GLU GLU A . n +A 1 421 ASP 421 421 421 ASP ASP A . n +A 1 422 LEU 422 422 422 LEU LEU A . n +A 1 423 GLU 423 423 423 GLU GLU A . n +A 1 424 LEU 424 424 424 LEU LEU A . n +A 1 425 VAL 425 425 425 VAL VAL A . n +A 1 426 ILE 426 426 426 ILE ILE A . n +A 1 427 VAL 427 427 427 VAL VAL A . n +A 1 428 GLN 428 428 428 GLN GLN A . n +A 1 429 ASP 429 429 429 ASP ASP A . n +A 1 430 ILE 430 430 430 ILE ILE A . n +A 1 431 PHE 431 431 431 PHE PHE A . n +A 1 432 MET 432 432 432 MET MET A . n +A 1 433 THR 433 433 433 THR THR A . n +A 1 434 LYS 434 434 434 LYS LYS A . n +A 1 435 THR 435 435 435 THR THR A . n +A 1 436 ALA 436 436 436 ALA ALA A . n +A 1 437 SER 437 437 437 SER SER A . n +A 1 438 ALA 438 438 438 ALA ALA A . n +A 1 439 ALA 439 439 439 ALA ALA A . n +A 1 440 ASP 440 440 440 ASP ASP A . n +A 1 441 VAL 441 441 441 VAL VAL A . n +A 1 442 ILE 442 442 442 ILE ILE A . n +A 1 443 LEU 443 443 443 LEU LEU A . n +A 1 444 PRO 444 444 444 PRO PRO A . n +A 1 445 SER 445 445 445 SER SER A . n +A 1 446 THR 446 446 446 THR THR A . n +A 1 447 SER 447 447 447 SER SER A . n +A 1 448 TRP 448 448 448 TRP TRP A . n +A 1 449 GLY 449 449 449 GLY GLY A . n +A 1 450 GLU 450 450 450 GLU GLU A . n +A 1 451 HIS 451 451 451 HIS HIS A . n +A 1 452 GLU 452 452 452 GLU GLU A . n +A 1 453 GLY 453 453 453 GLY GLY A . n +A 1 454 VAL 454 454 454 VAL VAL A . n +A 1 455 PHE 455 455 455 PHE PHE A . n +A 1 456 THR 456 456 456 THR THR A . n +A 1 457 ALA 457 457 457 ALA ALA A . n +A 1 458 ALA 458 458 458 ALA ALA A . n +A 1 459 ASP 459 459 459 ASP ASP A . n +A 1 460 ARG 460 460 460 ARG ARG A . n +A 1 461 GLY 461 461 461 GLY GLY A . n +A 1 462 PHE 462 462 462 PHE PHE A . n +A 1 463 GLN 463 463 463 GLN GLN A . n +A 1 464 ARG 464 464 464 ARG ARG A . n +A 1 465 PHE 465 465 465 PHE PHE A . n +A 1 466 PHE 466 466 466 PHE PHE A . n +A 1 467 LYS 467 467 467 LYS LYS A . n +A 1 468 ALA 468 468 468 ALA ALA A . n +A 1 469 VAL 469 469 469 VAL VAL A . n +A 1 470 GLU 470 470 470 GLU GLU A . n +A 1 471 PRO 471 471 471 PRO PRO A . n +A 1 472 LYS 472 472 472 LYS LYS A . n +A 1 473 TRP 473 473 473 TRP TRP A . n +A 1 474 ASP 474 474 474 ASP ASP A . n +A 1 475 LEU 475 475 475 LEU LEU A . n +A 1 476 LYS 476 476 476 LYS LYS A . n +A 1 477 THR 477 477 477 THR THR A . n +A 1 478 ASP 478 478 478 ASP ASP A . n +A 1 479 TRP 479 479 479 TRP TRP A . n +A 1 480 GLN 480 480 480 GLN GLN A . n +A 1 481 ILE 481 481 481 ILE ILE A . n +A 1 482 ILE 482 482 482 ILE ILE A . n +A 1 483 SER 483 483 483 SER SER A . n +A 1 484 GLU 484 484 484 GLU GLU A . n +A 1 485 ILE 485 485 485 ILE ILE A . n +A 1 486 ALA 486 486 486 ALA ALA A . n +A 1 487 THR 487 487 487 THR THR A . n +A 1 488 ARG 488 488 488 ARG ARG A . n +A 1 489 MET 489 489 489 MET MET A . n +A 1 490 GLY 490 490 490 GLY GLY A . n +A 1 491 TYR 491 491 491 TYR TYR A . n +A 1 492 PRO 492 492 492 PRO PRO A . n +A 1 493 MET 493 493 493 MET MET A . n +A 1 494 HIS 494 494 494 HIS HIS A . n +A 1 495 TYR 495 495 495 TYR TYR A . n +A 1 496 ASN 496 496 496 ASN ASN A . n +A 1 497 ASN 497 497 497 ASN ASN A . n +A 1 498 THR 498 498 498 THR THR A . n +A 1 499 GLN 499 499 499 GLN GLN A . n +A 1 500 GLU 500 500 500 GLU GLU A . n +A 1 501 ILE 501 501 501 ILE ILE A . n +A 1 502 TRP 502 502 502 TRP TRP A . n +A 1 503 ASP 503 503 503 ASP ASP A . n +A 1 504 GLU 504 504 504 GLU GLU A . n +A 1 505 LEU 505 505 505 LEU LEU A . n +A 1 506 ARG 506 506 506 ARG ARG A . n +A 1 507 HIS 507 507 507 HIS HIS A . n +A 1 508 LEU 508 508 508 LEU LEU A . n +A 1 509 CYS 509 509 509 CYS CYS A . n +A 1 510 PRO 510 510 510 PRO PRO A . n +A 1 511 ASP 511 511 511 ASP ASP A . n +A 1 512 PHE 512 512 512 PHE PHE A . n +A 1 513 TYR 513 513 513 TYR TYR A . n +A 1 514 GLY 514 514 514 GLY GLY A . n +A 1 515 ALA 515 515 515 ALA ALA A . n +A 1 516 THR 516 516 516 THR THR A . n +A 1 517 TYR 517 517 517 TYR TYR A . n +A 1 518 GLU 518 518 518 GLU GLU A . n +A 1 519 LYS 519 519 519 LYS LYS A . n +A 1 520 MET 520 520 520 MET MET A . n +A 1 521 GLY 521 521 521 GLY GLY A . n +A 1 522 GLU 522 522 522 GLU GLU A . n +A 1 523 LEU 523 523 523 LEU LEU A . n +A 1 524 GLY 524 524 524 GLY GLY A . n +A 1 525 PHE 525 525 525 PHE PHE A . n +A 1 526 ILE 526 526 526 ILE ILE A . n +A 1 527 GLN 527 527 527 GLN GLN A . n +A 1 528 TRP 528 528 528 TRP TRP A . n +A 1 529 PRO 529 529 529 PRO PRO A . n +A 1 530 CYS 530 530 530 CYS CYS A . n +A 1 531 ARG 531 531 531 ARG ARG A . n +A 1 532 ASP 532 532 532 ASP ASP A . n +A 1 533 THR 533 533 533 THR THR A . n +A 1 534 SER 534 534 534 SER SER A . n +A 1 535 ASP 535 535 535 ASP ASP A . n +A 1 536 ALA 536 536 536 ALA ALA A . n +A 1 537 ASP 537 537 537 ASP ASP A . n +A 1 538 GLN 538 538 538 GLN GLN A . n +A 1 539 GLY 539 539 539 GLY GLY A . n +A 1 540 THR 540 540 540 THR THR A . n +A 1 541 SER 541 541 541 SER SER A . n +A 1 542 TYR 542 542 542 TYR TYR A . n +A 1 543 LEU 543 543 543 LEU LEU A . n +A 1 544 PHE 544 544 544 PHE PHE A . n +A 1 545 LYS 545 545 545 LYS LYS A . n +A 1 546 GLU 546 546 546 GLU GLU A . n +A 1 547 LYS 547 547 547 LYS LYS A . n +A 1 548 PHE 548 548 548 PHE PHE A . n +A 1 549 ASP 549 549 549 ASP ASP A . n +A 1 550 THR 550 550 550 THR THR A . n +A 1 551 PRO 551 551 551 PRO PRO A . n +A 1 552 ASN 552 552 552 ASN ASN A . n +A 1 553 GLY 553 553 553 GLY GLY A . n +A 1 554 LEU 554 554 554 LEU LEU A . n +A 1 555 ALA 555 555 555 ALA ALA A . n +A 1 556 GLN 556 556 556 GLN GLN A . n +A 1 557 PHE 557 557 557 PHE PHE A . n +A 1 558 PHE 558 558 558 PHE PHE A . n +A 1 559 THR 559 559 559 THR THR A . n +A 1 560 CYS 560 560 560 CYS CYS A . n +A 1 561 ASP 561 561 561 ASP ASP A . n +A 1 562 TRP 562 562 562 TRP TRP A . n +A 1 563 VAL 563 563 563 VAL VAL A . n +A 1 564 ALA 564 564 564 ALA ALA A . n +A 1 565 PRO 565 565 565 PRO PRO A . n +A 1 566 ILE 566 566 566 ILE ILE A . n +A 1 567 ASP 567 567 567 ASP ASP A . n +A 1 568 LYS 568 568 568 LYS LYS A . n +A 1 569 LEU 569 569 569 LEU LEU A . n +A 1 570 THR 570 570 570 THR THR A . n +A 1 571 ASP 571 571 571 ASP ASP A . n +A 1 572 GLU 572 572 572 GLU GLU A . n +A 1 573 TYR 573 573 573 TYR TYR A . n +A 1 574 PRO 574 574 574 PRO PRO A . n +A 1 575 MET 575 575 575 MET MET A . n +A 1 576 VAL 576 576 576 VAL VAL A . n +A 1 577 LEU 577 577 577 LEU LEU A . n +A 1 578 SER 578 578 578 SER SER A . n +A 1 579 THR 579 579 579 THR THR A . n +A 1 580 VAL 580 580 580 VAL VAL A . n +A 1 581 ARG 581 581 581 ARG ARG A . n +A 1 582 GLU 582 582 582 GLU GLU A . n +A 1 583 VAL 583 583 583 VAL VAL A . n +A 1 584 GLY 584 584 584 GLY GLY A . n +A 1 585 HIS 585 585 585 HIS HIS A . n +A 1 586 TYR 586 586 586 TYR TYR A . n +A 1 587 SER 587 587 587 SER SER A . n +A 1 588 CYS 588 588 588 CYS CYS A . n +A 1 589 ARG 589 589 589 ARG ARG A . n +A 1 590 SER 590 590 590 SER SER A . n +A 1 591 MET 591 591 591 MET MET A . n +A 1 592 THR 592 592 592 THR THR A . n +A 1 593 GLY 593 593 593 GLY GLY A . n +A 1 594 ASN 594 594 594 ASN ASN A . n +A 1 595 CYS 595 595 595 CYS CYS A . n +A 1 596 ALA 596 596 596 ALA ALA A . n +A 1 597 ALA 597 597 597 ALA ALA A . n +A 1 598 LEU 598 598 598 LEU LEU A . n +A 1 599 ALA 599 599 599 ALA ALA A . n +A 1 600 ALA 600 600 600 ALA ALA A . n +A 1 601 LEU 601 601 601 LEU LEU A . n +A 1 602 ALA 602 602 602 ALA ALA A . n +A 1 603 ASP 603 603 603 ASP ASP A . n +A 1 604 GLU 604 604 604 GLU GLU A . n +A 1 605 PRO 605 605 605 PRO PRO A . n +A 1 606 GLY 606 606 606 GLY GLY A . n +A 1 607 TYR 607 607 607 TYR TYR A . n +A 1 608 ALA 608 608 608 ALA ALA A . n +A 1 609 GLN 609 609 609 GLN GLN A . n +A 1 610 ILE 610 610 610 ILE ILE A . n +A 1 611 ASN 611 611 611 ASN ASN A . n +A 1 612 THR 612 612 612 THR THR A . n +A 1 613 GLU 613 613 613 GLU GLU A . n +A 1 614 ASP 614 614 614 ASP ASP A . n +A 1 615 ALA 615 615 615 ALA ALA A . n +A 1 616 LYS 616 616 616 LYS LYS A . n +A 1 617 ARG 617 617 617 ARG ARG A . n +A 1 618 LEU 618 618 618 LEU LEU A . n +A 1 619 GLY 619 619 619 GLY GLY A . n +A 1 620 ILE 620 620 620 ILE ILE A . n +A 1 621 GLU 621 621 621 GLU GLU A . n +A 1 622 ASP 622 622 622 ASP ASP A . n +A 1 623 GLU 623 623 623 GLU GLU A . n +A 1 624 ALA 624 624 624 ALA ALA A . n +A 1 625 LEU 625 625 625 LEU LEU A . n +A 1 626 VAL 626 626 626 VAL VAL A . n +A 1 627 TRP 627 627 627 TRP TRP A . n +A 1 628 VAL 628 628 628 VAL VAL A . n +A 1 629 HIS 629 629 629 HIS HIS A . n +A 1 630 SER 630 630 630 SER SER A . n +A 1 631 ARG 631 631 631 ARG ARG A . n +A 1 632 LYS 632 632 632 LYS LYS A . n +A 1 633 GLY 633 633 633 GLY GLY A . n +A 1 634 LYS 634 634 634 LYS LYS A . n +A 1 635 ILE 635 635 635 ILE ILE A . n +A 1 636 ILE 636 636 636 ILE ILE A . n +A 1 637 THR 637 637 637 THR THR A . n +A 1 638 ARG 638 638 638 ARG ARG A . n +A 1 639 ALA 639 639 639 ALA ALA A . n +A 1 640 GLN 640 640 640 GLN GLN A . n +A 1 641 VAL 641 641 641 VAL VAL A . n +A 1 642 SER 642 642 642 SER SER A . n +A 1 643 ASP 643 643 643 ASP ASP A . n +A 1 644 ARG 644 644 644 ARG ARG A . n +A 1 645 PRO 645 645 645 PRO PRO A . n +A 1 646 ASN 646 646 646 ASN ASN A . n +A 1 647 LYS 647 647 647 LYS LYS A . n +A 1 648 GLY 648 648 648 GLY GLY A . n +A 1 649 ALA 649 649 649 ALA ALA A . n +A 1 650 ILE 650 650 650 ILE ILE A . n +A 1 651 TYR 651 651 651 TYR TYR A . n +A 1 652 MET 652 652 652 MET MET A . n +A 1 653 THR 653 653 653 THR THR A . n +A 1 654 TYR 654 654 654 TYR TYR A . n +A 1 655 GLN 655 655 655 GLN GLN A . n +A 1 656 TRP 656 656 656 TRP TRP A . n +A 1 657 TRP 657 657 657 TRP TRP A . n +A 1 658 ILE 658 658 658 ILE ILE A . n +A 1 659 GLY 659 659 659 GLY GLY A . n +A 1 660 ALA 660 660 660 ALA ALA A . n +A 1 661 CYS 661 661 661 CYS CYS A . n +A 1 662 ASN 662 662 662 ASN ASN A . n +A 1 663 GLU 663 663 663 GLU GLU A . n +A 1 664 LEU 664 664 664 LEU LEU A . n +A 1 665 VAL 665 665 665 VAL VAL A . n +A 1 666 THR 666 666 666 THR THR A . n +A 1 667 GLU 667 667 667 GLU GLU A . n +A 1 668 ASN 668 668 668 ASN ASN A . n +A 1 669 LEU 669 669 669 LEU LEU A . n +A 1 670 SER 670 670 670 SER SER A . n +A 1 671 PRO 671 671 671 PRO PRO A . n +A 1 672 ILE 672 672 672 ILE ILE A . n +A 1 673 THR 673 673 673 THR THR A . n +A 1 674 LYS 674 674 674 LYS LYS A . n +A 1 675 THR 675 675 675 THR THR A . n +A 1 676 PRO 676 676 676 PRO PRO A . n +A 1 677 GLU 677 677 677 GLU GLU A . n +A 1 678 TYR 678 678 678 TYR TYR A . n +A 1 679 LYS 679 679 679 LYS LYS A . n +A 1 680 TYR 680 680 680 TYR TYR A . n +A 1 681 CYS 681 681 681 CYS CYS A . n +A 1 682 ALA 682 682 682 ALA ALA A . n +A 1 683 VAL 683 683 683 VAL VAL A . n +A 1 684 ARG 684 684 684 ARG ARG A . n +A 1 685 VAL 685 685 685 VAL VAL A . n +A 1 686 GLU 686 686 686 GLU GLU A . n +A 1 687 PRO 687 687 687 PRO PRO A . n +A 1 688 ILE 688 688 688 ILE ILE A . n +A 1 689 ALA 689 689 689 ALA ALA A . n +A 1 690 ASP 690 690 690 ASP ASP A . n +A 1 691 GLN 691 691 691 GLN GLN A . n +A 1 692 ARG 692 692 692 ARG ARG A . n +A 1 693 ALA 693 693 693 ALA ALA A . n +A 1 694 ALA 694 694 694 ALA ALA A . n +A 1 695 GLU 695 695 695 GLU GLU A . n +A 1 696 GLN 696 696 696 GLN GLN A . n +A 1 697 TYR 697 697 697 TYR TYR A . n +A 1 698 VAL 698 698 698 VAL VAL A . n +A 1 699 ILE 699 699 699 ILE ILE A . n +A 1 700 ASP 700 700 700 ASP ASP A . n +A 1 701 GLU 701 701 701 GLU GLU A . n +A 1 702 TYR 702 702 702 TYR TYR A . n +A 1 703 ASN 703 703 703 ASN ASN A . n +A 1 704 LYS 704 704 704 LYS LYS A . n +A 1 705 LEU 705 705 705 LEU LEU A . n +A 1 706 LYS 706 706 706 LYS LYS A . n +A 1 707 THR 707 707 707 THR THR A . n +A 1 708 ARG 708 708 708 ARG ARG A . n +A 1 709 LEU 709 709 709 LEU LEU A . n +A 1 710 ARG 710 710 710 ARG ARG A . n +A 1 711 GLU 711 711 711 GLU GLU A . n +A 1 712 ALA 712 712 712 ALA ALA A . n +A 1 713 ALA 713 713 713 ALA ALA A . n +A 1 714 LEU 714 714 714 LEU LEU A . n +A 1 715 ALA 715 715 715 ALA ALA A . n +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +X-PLOR 'model building' 3.1 ? 1 +X-PLOR refinement 3.1 ? 2 +# +loop_ +_pdbx_version.entry_id +_pdbx_version.revision_date +_pdbx_version.major_version +_pdbx_version.minor_version +_pdbx_version.details +1FDO 2007-03-17 3 100 ? +1FDO 2008-03-24 3 2 'compliance with PDB format V.3.15' +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 SF4 1 800 800 SF4 FS4 A . +C 3 MGD 1 801 801 MGD MGD A . +D 3 MGD 1 802 802 MGD MGD A . +E 4 6MO 1 803 803 6MO 6MO A . +F 5 HOH 1 804 1 HOH HOH A . +F 5 HOH 2 805 2 HOH HOH A . +F 5 HOH 3 806 3 HOH HOH A . +F 5 HOH 4 807 4 HOH HOH A . +F 5 HOH 5 808 5 HOH HOH A . +F 5 HOH 6 809 6 HOH HOH A . +F 5 HOH 7 810 7 HOH HOH A . +F 5 HOH 8 811 8 HOH HOH A . +F 5 HOH 9 812 9 HOH HOH A . +F 5 HOH 10 813 11 HOH HOH A . +F 5 HOH 11 814 12 HOH HOH A . +F 5 HOH 12 815 13 HOH HOH A . +F 5 HOH 13 816 14 HOH HOH A . +F 5 HOH 14 817 15 HOH HOH A . +F 5 HOH 15 818 16 HOH HOH A . +F 5 HOH 16 819 17 HOH HOH A . +F 5 HOH 17 820 18 HOH HOH A . +F 5 HOH 18 821 19 HOH HOH A . +F 5 HOH 19 822 20 HOH HOH A . +F 5 HOH 20 823 21 HOH HOH A . +F 5 HOH 21 824 22 HOH HOH A . +F 5 HOH 22 825 23 HOH HOH A . +F 5 HOH 23 826 25 HOH HOH A . +F 5 HOH 24 827 26 HOH HOH A . +F 5 HOH 25 828 27 HOH HOH A . +F 5 HOH 26 829 28 HOH HOH A . +F 5 HOH 27 830 29 HOH HOH A . +F 5 HOH 28 831 30 HOH HOH A . +F 5 HOH 29 832 31 HOH HOH A . +F 5 HOH 30 833 32 HOH HOH A . +F 5 HOH 31 834 33 HOH HOH A . +F 5 HOH 32 835 34 HOH HOH A . +F 5 HOH 33 836 35 HOH HOH A . +F 5 HOH 34 837 36 HOH HOH A . +F 5 HOH 35 838 37 HOH HOH A . +F 5 HOH 36 839 38 HOH HOH A . +F 5 HOH 37 840 39 HOH HOH A . +F 5 HOH 38 841 40 HOH HOH A . +F 5 HOH 39 842 41 HOH HOH A . +F 5 HOH 40 843 42 HOH HOH A . +F 5 HOH 41 844 43 HOH HOH A . +F 5 HOH 42 845 44 HOH HOH A . +F 5 HOH 43 846 47 HOH HOH A . +F 5 HOH 44 847 48 HOH HOH A . +F 5 HOH 45 848 49 HOH HOH A . +F 5 HOH 46 849 50 HOH HOH A . +F 5 HOH 47 850 51 HOH HOH A . +F 5 HOH 48 851 52 HOH HOH A . +F 5 HOH 49 852 53 HOH HOH A . +F 5 HOH 50 853 54 HOH HOH A . +F 5 HOH 51 854 55 HOH HOH A . +F 5 HOH 52 855 56 HOH HOH A . +F 5 HOH 53 856 57 HOH HOH A . +F 5 HOH 54 857 58 HOH HOH A . +F 5 HOH 55 858 59 HOH HOH A . +F 5 HOH 56 859 61 HOH HOH A . +F 5 HOH 57 860 62 HOH HOH A . +F 5 HOH 58 861 63 HOH HOH A . +F 5 HOH 59 862 64 HOH HOH A . +F 5 HOH 60 863 65 HOH HOH A . +F 5 HOH 61 864 66 HOH HOH A . +F 5 HOH 62 865 67 HOH HOH A . +F 5 HOH 63 866 70 HOH HOH A . +F 5 HOH 64 867 71 HOH HOH A . +# +_pdbx_struct_mod_residue.id 1 +_pdbx_struct_mod_residue.label_asym_id A +_pdbx_struct_mod_residue.label_seq_id 140 +_pdbx_struct_mod_residue.label_comp_id CSE +_pdbx_struct_mod_residue.auth_asym_id A +_pdbx_struct_mod_residue.auth_seq_id 140 +_pdbx_struct_mod_residue.auth_comp_id CSE +_pdbx_struct_mod_residue.PDB_ins_code ? +_pdbx_struct_mod_residue.parent_comp_id CYS +_pdbx_struct_mod_residue.details SELENOCYSTEINE +# +_pdbx_validate_rmsd_angle.id 1 +_pdbx_validate_rmsd_angle.PDB_model_num 1 +_pdbx_validate_rmsd_angle.auth_atom_id_1 CA +_pdbx_validate_rmsd_angle.auth_asym_id_1 A +_pdbx_validate_rmsd_angle.auth_comp_id_1 LEU +_pdbx_validate_rmsd_angle.auth_seq_id_1 505 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 ? +_pdbx_validate_rmsd_angle.label_alt_id_1 ? +_pdbx_validate_rmsd_angle.auth_atom_id_2 CB +_pdbx_validate_rmsd_angle.auth_asym_id_2 A +_pdbx_validate_rmsd_angle.auth_comp_id_2 LEU +_pdbx_validate_rmsd_angle.auth_seq_id_2 505 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 ? +_pdbx_validate_rmsd_angle.label_alt_id_2 ? +_pdbx_validate_rmsd_angle.auth_atom_id_3 CG +_pdbx_validate_rmsd_angle.auth_asym_id_3 A +_pdbx_validate_rmsd_angle.auth_comp_id_3 LEU +_pdbx_validate_rmsd_angle.auth_seq_id_3 505 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 ? +_pdbx_validate_rmsd_angle.label_alt_id_3 ? +_pdbx_validate_rmsd_angle.angle_deviation 16.4 +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 TYR A 10 ? -95.58 -101.04 +2 1 ASN A 23 ? 69.96 -117.91 +3 1 LYS A 74 ? 87.48 96.08 +4 1 ARG A 110 ? -98.74 -147.55 +5 1 ASN A 132 ? -64.51 68.99 +6 1 CYS A 136 ? -58.53 -0.64 +7 1 ASP A 165 ? -57.52 -1.60 +8 1 TYR A 175 ? -174.72 133.30 +9 1 ASN A 220 ? -39.43 127.37 +10 1 TYR A 262 ? -63.22 75.02 +11 1 GLU A 268 ? -16.37 -63.21 +12 1 VAL A 299 ? -107.91 -63.67 +13 1 GLN A 301 ? -78.86 38.87 +14 1 ALA A 327 ? -156.33 -143.26 +15 1 ALA A 346 ? -84.19 46.55 +16 1 TYR A 399 ? -106.42 78.57 +17 1 LEU A 406 ? -59.54 6.44 +18 1 GLN A 407 ? -138.11 -33.33 +19 1 ALA A 438 ? -95.97 36.39 +20 1 ASP A 459 ? -93.03 45.79 +21 1 PRO A 510 ? -48.86 -13.78 +22 1 ASP A 549 ? 66.11 -2.29 +23 1 ILE A 566 ? -57.42 -73.75 +24 1 THR A 570 ? -87.67 -156.58 +25 1 VAL A 580 ? -135.48 -152.21 +26 1 SER A 587 ? 51.61 -122.17 +27 1 ASP A 603 ? -128.21 -166.26 +28 1 THR A 612 ? -47.62 -80.26 +29 1 LYS A 634 ? -161.29 107.44 +30 1 GLN A 640 ? -161.71 86.49 +31 1 ALA A 660 ? -69.75 98.58 +32 1 ASN A 668 ? -109.23 67.60 +33 1 LYS A 674 ? 61.18 62.48 +34 1 LEU A 714 ? -99.73 41.72 +# +loop_ +_pdbx_validate_planes.id +_pdbx_validate_planes.PDB_model_num +_pdbx_validate_planes.auth_comp_id +_pdbx_validate_planes.auth_asym_id +_pdbx_validate_planes.auth_seq_id +_pdbx_validate_planes.PDB_ins_code +_pdbx_validate_planes.rmsd +_pdbx_validate_planes.type +1 1 TYR A 573 ? 0.068 SIDE_CHAIN +2 1 TYR A 678 ? 0.072 SIDE_CHAIN +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'IRON/SULFUR CLUSTER' SF4 +3 '2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE' MGD +4 'MOLYBDENUM(VI) ION' 6MO +5 water HOH +# diff --git a/biojava-structure/src/test/resources/1fdo.pdb b/biojava-structure/src/test/resources/1fdo.pdb new file mode 100644 index 0000000000..31b9ce3269 --- /dev/null +++ b/biojava-structure/src/test/resources/1fdo.pdb @@ -0,0 +1,6448 @@ +HEADER OXIDOREDUCTASE 27-JAN-97 1FDO +TITLE OXIDIZED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: FORMATE DEHYDROGENASE H; +COMPND 3 CHAIN: A; +COMPND 4 SYNONYM: FDH-H; +COMPND 5 EC: 1.2.1.2; +COMPND 6 ENGINEERED: YES; +COMPND 7 OTHER_DETAILS: OXIDIZED FORM (MO(VI),FE4S4(OX)) OF FDH-H +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; +SOURCE 3 ORGANISM_TAXID: 562; +SOURCE 4 STRAIN: FM911; +SOURCE 5 GENE: FDHF; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PFM20; +SOURCE 9 OTHER_DETAILS: FDH-H WAS EXPRESSED ANAEROBICALLY +KEYWDS OXIDOREDUCTASE, SELENIUM, SELENOCYSTEINE, SECYS, MOLYBDENUM, +KEYWDS 2 MOLYBDOPTERIN, MPT, MOLYBDOPTERIN GUANINE DINUCLEOTIDE, MGD, +KEYWDS 3 IRON SULFUR CLUSTER, FE4S4, FORMATE, DEHYDROGENASE, +KEYWDS 4 ANAEROBIC +EXPDTA X-RAY DIFFRACTION +AUTHOR P.D.SUN,J.C.BOYINGTON +REVDAT 3 24-MAR-09 1FDO 1 ATOM CONECT +REVDAT 2 24-FEB-09 1FDO 1 VERSN +REVDAT 1 20-AUG-97 1FDO 0 +JRNL AUTH J.C.BOYINGTON,V.N.GLADYSHEV,S.V.KHANGULOV, +JRNL AUTH 2 T.C.STADTMAN,P.D.SUN +JRNL TITL CRYSTAL STRUCTURE OF FORMATE DEHYDROGENASE H: +JRNL TITL 2 CATALYSIS INVOLVING MO, MOLYBDOPTERIN, +JRNL TITL 3 SELENOCYSTEINE, AND AN FE4S4 CLUSTER. +JRNL REF SCIENCE V. 275 1305 1997 +JRNL REFN ISSN 0036-8075 +JRNL PMID 9036855 +JRNL DOI 10.1126/SCIENCE.275.5304.1305 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH V.N.GLADYSHEV,J.C.BOYINGTON,S.V.KHANGULOV, +REMARK 1 AUTH 2 D.A.GRAHAME,T.C.STADTMAN,P.D.SUN +REMARK 1 TITL CHARACTERIZATION OF CRYSTALLINE FORMATE +REMARK 1 TITL 2 DEHYDROGENASE H FROM ESCHERICHIA COLI. +REMARK 1 TITL 3 STABILIZATION, EPR SPECTROSCOPY, AND PRELIMINARY +REMARK 1 TITL 4 CRYSTALLOGRAPHIC ANALYSIS +REMARK 1 REF J.BIOL.CHEM. V. 271 8095 1996 +REMARK 1 REFN ISSN 0021-9258 +REMARK 2 +REMARK 2 RESOLUTION. 2.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR 3.1 +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 100000.000 +REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.1000 +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 90.0 +REMARK 3 NUMBER OF REFLECTIONS : 18013 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.192 +REMARK 3 FREE R VALUE : 0.281 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700 +REMARK 3 FREE R VALUE TEST SET COUNT : 849 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 10 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.80 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.89 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 77.20 +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1518 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2310 +REMARK 3 BIN FREE R VALUE : 0.3300 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.30 +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 69 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.039 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 5566 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 103 +REMARK 3 SOLVENT ATOMS : 64 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.50 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.013 +REMARK 3 BOND ANGLES (DEGREES) : 1.85 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.70 +REMARK 3 IMPROPER ANGLES (DEGREES) : 1.54 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; 1.500 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; 2.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; 2.500 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; 2.500 +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO +REMARK 3 PARAMETER FILE 2 : NULL +REMARK 3 PARAMETER FILE 3 : NULL +REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO +REMARK 3 TOPOLOGY FILE 2 : NULL +REMARK 3 TOPOLOGY FILE 3 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1FDO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : OCT-95 +REMARK 200 TEMPERATURE (KELVIN) : 93 +REMARK 200 PH : 7.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : NI FILTER +REMARK 200 OPTICS : MIRRORS +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20861 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 93.4 +REMARK 200 DATA REDUNDANCY : 4.000 +REMARK 200 R MERGE (I) : 0.07900 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 22.1000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.90 +REMARK 200 COMPLETENESS FOR SHELL (%) : 91.4 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.20000 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 8.400 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER +REMARK 200 ANALYSIS USING PHASES FROM THE STRUCTURE OF REDUCED FDH-H (PDB +REMARK 200 ENTRY 1AA6) +REMARK 200 SOFTWARE USED: X-PLOR 3.1 +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 55.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.70 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: FDH-H WAS CRYSTALLIZED BY HANGING +REMARK 280 DROP VAPOR DIFFUSION IN AN ANAEROBIC ATMOSPHERE IN THE +REMARK 280 PRESENCE OF 1.5 M AMMONIUM SULFATE, 1% PEG 400, 20 MM SODIUM +REMARK 280 FORMATE AND 100 MM HEPES/NAOH AT PH 7.5. PRIOR TO FREEZING IN +REMARK 280 LIQUID NITROGEN, CRYSTALS WERE OXIDIZED BY SOAKING IN 10 MM +REMARK 280 BENZYL VIOLOGEN FOR 30 MINUTES., VAPOR DIFFUSION - HANGING +REMARK 280 DROP IN ANAEROBIC ATMOSPHERE +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 +REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 +REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 +REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 +REMARK 290 7555 Y,X,-Z +REMARK 290 8555 -Y,-X,-Z+1/2 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 40.55000 +REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 73.30000 +REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 73.30000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 20.27500 +REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 73.30000 +REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 73.30000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 60.82500 +REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 73.30000 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 73.30000 +REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 20.27500 +REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 73.30000 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 73.30000 +REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 60.82500 +REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 40.55000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 LEU A 505 CA - CB - CG ANGL. DEV. = 16.4 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 TYR A 10 -101.04 -95.58 +REMARK 500 ASN A 23 -117.91 69.96 +REMARK 500 LYS A 74 96.08 87.48 +REMARK 500 ARG A 110 -147.55 -98.74 +REMARK 500 ASN A 132 68.99 -64.51 +REMARK 500 CYS A 136 -0.64 -58.53 +REMARK 500 ASP A 165 -1.60 -57.52 +REMARK 500 TYR A 175 133.30 -174.72 +REMARK 500 ASN A 220 127.37 -39.43 +REMARK 500 TYR A 262 75.02 -63.22 +REMARK 500 GLU A 268 -63.21 -16.37 +REMARK 500 VAL A 299 -63.67 -107.91 +REMARK 500 GLN A 301 38.87 -78.86 +REMARK 500 ALA A 327 -143.26 -156.33 +REMARK 500 ALA A 346 46.55 -84.19 +REMARK 500 TYR A 399 78.57 -106.42 +REMARK 500 LEU A 406 6.44 -59.54 +REMARK 500 GLN A 407 -33.33 -138.11 +REMARK 500 ALA A 438 36.39 -95.97 +REMARK 500 ASP A 459 45.79 -93.03 +REMARK 500 PRO A 510 -13.78 -48.86 +REMARK 500 ASP A 549 -2.29 66.11 +REMARK 500 ILE A 566 -73.75 -57.42 +REMARK 500 THR A 570 -156.58 -87.67 +REMARK 500 VAL A 580 -152.21 -135.48 +REMARK 500 SER A 587 -122.17 51.61 +REMARK 500 ASP A 603 -166.26 -128.21 +REMARK 500 THR A 612 -80.26 -47.62 +REMARK 500 LYS A 634 107.44 -161.29 +REMARK 500 GLN A 640 86.49 -161.71 +REMARK 500 ALA A 660 98.58 -69.75 +REMARK 500 ASN A 668 67.60 -109.23 +REMARK 500 LYS A 674 62.48 61.18 +REMARK 500 LEU A 714 41.72 -99.73 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 TYR A 573 0.07 SIDE_CHAIN +REMARK 500 TYR A 678 0.07 SIDE_CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 525 +REMARK 525 SOLVENT +REMARK 525 +REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT +REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST +REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT +REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE +REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; +REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE +REMARK 525 NUMBER; I=INSERTION CODE): +REMARK 525 +REMARK 525 M RES CSSEQI +REMARK 525 HOH A 823 DISTANCE = 5.14 ANGSTROMS +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 6MO A 803 MO +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 MGD A 801 S12 +REMARK 620 2 MGD A 801 S13 77.8 +REMARK 620 3 MGD A 802 S12 153.5 99.3 +REMARK 620 4 MGD A 802 S13 74.6 118.7 84.2 +REMARK 620 5 HOH A 861 O 94.3 132.2 106.3 103.7 +REMARK 620 6 CSE A 140 SE 133.2 92.7 72.9 144.0 58.9 +REMARK 620 N 1 2 3 4 5 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: MO4 +REMARK 800 EVIDENCE_CODE: UNKNOWN +REMARK 800 SITE_DESCRIPTION: THE MOLYBDENUM ATOM IS COORDINATED TO THE +REMARK 800 SELENIUM ATOM OF SEC 140, THE OXYGEN ATOM OF A HYDROXYL ION +REMARK 800 (HOH 63) AND THE FOUR SULFUR ATOMS OF MGD 801 AND MGD 802. +REMARK 800 SITE_IDENTIFIER: FS4 +REMARK 800 EVIDENCE_CODE: UNKNOWN +REMARK 800 SITE_DESCRIPTION: THE IRON SULFUR CLUSTER IS COORDINATED TO THE +REMARK 800 SULFUR ATOMS OF CYS 8, CYS 11, CYS 15, AND CYS 42. +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 A 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MGD A 801 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MGD A 802 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 6MO A 803 +DBREF 1FDO A 1 715 UNP P07658 FDHF_ECOLI 1 715 +SEQADV 1FDO CSE A 140 UNP P07658 CYS 140 MODIFIED RESIDUE +SEQRES 1 A 715 MET LYS LYS VAL VAL THR VAL CYS PRO TYR CYS ALA SER +SEQRES 2 A 715 GLY CYS LYS ILE ASN LEU VAL VAL ASP ASN GLY LYS ILE +SEQRES 3 A 715 VAL ARG ALA GLU ALA ALA GLN GLY LYS THR ASN GLN GLY +SEQRES 4 A 715 THR LEU CYS LEU LYS GLY TYR TYR GLY TRP ASP PHE ILE +SEQRES 5 A 715 ASN ASP THR GLN ILE LEU THR PRO ARG LEU LYS THR PRO +SEQRES 6 A 715 MET ILE ARG ARG GLN ARG GLY GLY LYS LEU GLU PRO VAL +SEQRES 7 A 715 SER TRP ASP GLU ALA LEU ASN TYR VAL ALA GLU ARG LEU +SEQRES 8 A 715 SER ALA ILE LYS GLU LYS TYR GLY PRO ASP ALA ILE GLN +SEQRES 9 A 715 THR THR GLY SER SER ARG GLY THR GLY ASN GLU THR ASN +SEQRES 10 A 715 TYR VAL MET GLN LYS PHE ALA ARG ALA VAL ILE GLY THR +SEQRES 11 A 715 ASN ASN VAL ASP CYS CYS ALA ARG VAL CSE HIS GLY PRO +SEQRES 12 A 715 SER VAL ALA GLY LEU HIS GLN SER VAL GLY ASN GLY ALA +SEQRES 13 A 715 MET SER ASN ALA ILE ASN GLU ILE ASP ASN THR ASP LEU +SEQRES 14 A 715 VAL PHE VAL PHE GLY TYR ASN PRO ALA ASP SER HIS PRO +SEQRES 15 A 715 ILE VAL ALA ASN HIS VAL ILE ASN ALA LYS ARG ASN GLY +SEQRES 16 A 715 ALA LYS ILE ILE VAL CYS ASP PRO ARG LYS ILE GLU THR +SEQRES 17 A 715 ALA ARG ILE ALA ASP MET HIS ILE ALA LEU LYS ASN GLY +SEQRES 18 A 715 SER ASN ILE ALA LEU LEU ASN ALA MET GLY HIS VAL ILE +SEQRES 19 A 715 ILE GLU GLU ASN LEU TYR ASP LYS ALA PHE VAL ALA SER +SEQRES 20 A 715 ARG THR GLU GLY PHE GLU GLU TYR ARG LYS ILE VAL GLU +SEQRES 21 A 715 GLY TYR THR PRO GLU SER VAL GLU ASP ILE THR GLY VAL +SEQRES 22 A 715 SER ALA SER GLU ILE ARG GLN ALA ALA ARG MET TYR ALA +SEQRES 23 A 715 GLN ALA LYS SER ALA ALA ILE LEU TRP GLY MET GLY VAL +SEQRES 24 A 715 THR GLN PHE TYR GLN GLY VAL GLU THR VAL ARG SER LEU +SEQRES 25 A 715 THR SER LEU ALA MET LEU THR GLY ASN LEU GLY LYS PRO +SEQRES 26 A 715 HIS ALA GLY VAL ASN PRO VAL ARG GLY GLN ASN ASN VAL +SEQRES 27 A 715 GLN GLY ALA CYS ASP MET GLY ALA LEU PRO ASP THR TYR +SEQRES 28 A 715 PRO GLY TYR GLN TYR VAL LYS ASP PRO ALA ASN ARG GLU +SEQRES 29 A 715 LYS PHE ALA LYS ALA TRP GLY VAL GLU SER LEU PRO ALA +SEQRES 30 A 715 HIS THR GLY TYR ARG ILE SER GLU LEU PRO HIS ARG ALA +SEQRES 31 A 715 ALA HIS GLY GLU VAL ARG ALA ALA TYR ILE MET GLY GLU +SEQRES 32 A 715 ASP PRO LEU GLN THR ASP ALA GLU LEU SER ALA VAL ARG +SEQRES 33 A 715 LYS ALA PHE GLU ASP LEU GLU LEU VAL ILE VAL GLN ASP +SEQRES 34 A 715 ILE PHE MET THR LYS THR ALA SER ALA ALA ASP VAL ILE +SEQRES 35 A 715 LEU PRO SER THR SER TRP GLY GLU HIS GLU GLY VAL PHE +SEQRES 36 A 715 THR ALA ALA ASP ARG GLY PHE GLN ARG PHE PHE LYS ALA +SEQRES 37 A 715 VAL GLU PRO LYS TRP ASP LEU LYS THR ASP TRP GLN ILE +SEQRES 38 A 715 ILE SER GLU ILE ALA THR ARG MET GLY TYR PRO MET HIS +SEQRES 39 A 715 TYR ASN ASN THR GLN GLU ILE TRP ASP GLU LEU ARG HIS +SEQRES 40 A 715 LEU CYS PRO ASP PHE TYR GLY ALA THR TYR GLU LYS MET +SEQRES 41 A 715 GLY GLU LEU GLY PHE ILE GLN TRP PRO CYS ARG ASP THR +SEQRES 42 A 715 SER ASP ALA ASP GLN GLY THR SER TYR LEU PHE LYS GLU +SEQRES 43 A 715 LYS PHE ASP THR PRO ASN GLY LEU ALA GLN PHE PHE THR +SEQRES 44 A 715 CYS ASP TRP VAL ALA PRO ILE ASP LYS LEU THR ASP GLU +SEQRES 45 A 715 TYR PRO MET VAL LEU SER THR VAL ARG GLU VAL GLY HIS +SEQRES 46 A 715 TYR SER CYS ARG SER MET THR GLY ASN CYS ALA ALA LEU +SEQRES 47 A 715 ALA ALA LEU ALA ASP GLU PRO GLY TYR ALA GLN ILE ASN +SEQRES 48 A 715 THR GLU ASP ALA LYS ARG LEU GLY ILE GLU ASP GLU ALA +SEQRES 49 A 715 LEU VAL TRP VAL HIS SER ARG LYS GLY LYS ILE ILE THR +SEQRES 50 A 715 ARG ALA GLN VAL SER ASP ARG PRO ASN LYS GLY ALA ILE +SEQRES 51 A 715 TYR MET THR TYR GLN TRP TRP ILE GLY ALA CYS ASN GLU +SEQRES 52 A 715 LEU VAL THR GLU ASN LEU SER PRO ILE THR LYS THR PRO +SEQRES 53 A 715 GLU TYR LYS TYR CYS ALA VAL ARG VAL GLU PRO ILE ALA +SEQRES 54 A 715 ASP GLN ARG ALA ALA GLU GLN TYR VAL ILE ASP GLU TYR +SEQRES 55 A 715 ASN LYS LEU LYS THR ARG LEU ARG GLU ALA ALA LEU ALA +MODRES 1FDO CSE A 140 CYS SELENOCYSTEINE +HET CSE A 140 6 +HET SF4 A 800 8 +HET MGD A 801 47 +HET MGD A 802 47 +HET 6MO A 803 1 +HETNAM CSE SELENOCYSTEINE +HETNAM SF4 IRON/SULFUR CLUSTER +HETNAM MGD 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8- +HETNAM 2 MGD OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE +HETNAM 3 MGD DINUCLEOTIDE +HETNAM 6MO MOLYBDENUM(VI) ION +HETSYN MGD MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE +FORMUL 1 CSE C3 H7 N O2 SE +FORMUL 2 SF4 FE4 S4 +FORMUL 3 MGD 2(C20 H26 N10 O13 P2 S2) +FORMUL 5 6MO MO 6+ +FORMUL 6 HOH *64(H2 O) +HELIX 1 H1 LEU A 43 TYR A 47 1 5 +HELIX 2 G1 ASP A 50 ASN A 53 5 4 +HELIX 3 H2 TRP A 80 TYR A 98 1 19 +HELIX 4 H3 ASN A 114 ILE A 128 1 15 +HELIX 5 G2 CYS A 136 VAL A 139 5 4 +HELIX 6 H4 GLY A 142 VAL A 152 1 11 +HELIX 7 G3 ILE A 161 ASN A 166 5 6 +HELIX 8 H5 PRO A 177 SER A 180 1 4 +HELIX 9 H6 PRO A 182 ARG A 193 1 12 +HELIX 10 G4 GLU A 207 ILE A 211 5 5 +HELIX 11 H7 ASN A 223 GLU A 236 1 14 +HELIX 12 H8 LYS A 242 ARG A 248 1 7 +HELIX 13 H9 PHE A 252 VAL A 259 1 8 +HELIX 14 H10 PRO A 264 THR A 271 1 8 +HELIX 15 H11 ALA A 275 GLN A 287 1 13 +HELIX 16 H12 MET A 297 THR A 300 1 4 +HELIX 17 H13 GLY A 305 THR A 319 1 15 +HELIX 18 H14 VAL A 338 ASP A 343 1 6 +HELIX 19 H15 PRO A 360 ALA A 369 1 10 +HELIX 20 H16 LEU A 386 ALA A 391 1 6 +HELIX 21 H17 PRO A 405 THR A 408 1 4 +HELIX 22 H18 LEU A 412 ASP A 421 1 10 +HELIX 23 H19 LYS A 434 SER A 437 1 4 +HELIX 24 H20 ASP A 478 ARG A 488 1 11 +HELIX 25 H21 THR A 498 LEU A 508 1 11 +HELIX 26 H22 TYR A 517 MET A 520 1 4 +HELIX 27 H23 MET A 591 ASN A 594 1 4 +HELIX 28 H24 ALA A 596 LEU A 601 1 6 +HELIX 29 H25 THR A 612 LEU A 618 1 7 +HELIX 30 G5 CYS A 661 LEU A 664 5 4 +HELIX 31 H26 GLN A 691 ALA A 715 1 25 +SHEET 1 A 3 LYS A 2 VAL A 7 0 +SHEET 2 A 3 LYS A 16 VAL A 21 -1 N ILE A 17 O THR A 6 +SHEET 3 A 3 ILE A 26 ALA A 31 -1 N GLU A 30 O ASN A 18 +SHEET 1 B 6 MET A 66 ARG A 68 0 +SHEET 2 B 6 VAL A 441 PRO A 444 -1 N ILE A 442 O MET A 66 +SHEET 3 B 6 LEU A 424 ASP A 429 1 O VAL A 427 N LEU A 443 +SHEET 4 B 6 ALA A 397 MET A 401 1 O ALA A 398 N ILE A 426 +SHEET 5 B 6 ILE A 103 THR A 106 1 O GLN A 104 N TYR A 399 +SHEET 6 B 6 VAL A 133 ASP A 134 1 N ASP A 134 O THR A 105 +SHEET 1 C 5 MET A 214 ILE A 216 0 +SHEET 2 C 5 LYS A 197 CYS A 201 1 O VAL A 200 N ILE A 216 +SHEET 3 C 5 LEU A 169 PHE A 173 1 O VAL A 170 N ILE A 199 +SHEET 4 C 5 ALA A 291 TRP A 295 1 N LEU A 294 O PHE A 171 +SHEET 5 C 5 VAL A 329 PRO A 331 1 N ASN A 330 O ILE A 293 +SHEET 1 D 3 GLY A 453 THR A 456 0 +SHEET 2 D 3 GLY A 461 PHE A 465 -1 N GLN A 463 O PHE A 455 +SHEET 3 D 3 ILE A 526 GLN A 527 -1 O ILE A 526 N PHE A 462 +SHEET 1 E 7 MET A 575 THR A 579 0 +SHEET 2 E 7 ALA A 649 MET A 652 1 O ILE A 650 N SER A 578 +SHEET 3 E 7 TYR A 607 ASN A 611 -1 O GLN A 609 N TYR A 651 +SHEET 4 E 7 LYS A 634 SER A 642 1 N GLN A 640 O ALA A 608 +SHEET 5 E 7 LEU A 625 HIS A 629 -1 N VAL A 628 O ILE A 635 +SHEET 6 E 7 TYR A 680 PRO A 687 -1 N GLU A 686 O TRP A 627 +SHEET 7 E 7 MET A 575 THR A 579 -1 O MET A 575 N VAL A 683 +LINK N CSE A 140 C VAL A 139 1555 1555 1.33 +LINK C CSE A 140 N HIS A 141 1555 1555 1.33 +LINK SG CYS A 8 FE2 SF4 A 800 1555 1555 2.33 +LINK SG CYS A 11 FE4 SF4 A 800 1555 1555 2.35 +LINK SG CYS A 15 FE3 SF4 A 800 1555 1555 2.24 +LINK SG CYS A 42 FE1 SF4 A 800 1555 1555 2.37 +LINK S12 MGD A 801 MO 6MO A 803 1555 1555 2.49 +LINK S13 MGD A 801 MO 6MO A 803 1555 1555 2.35 +LINK S12 MGD A 802 MO 6MO A 803 1555 1555 2.37 +LINK S13 MGD A 802 MO 6MO A 803 1555 1555 2.44 +LINK MO 6MO A 803 O HOH A 861 1555 1555 2.14 +LINK SE CSE A 140 MO 6MO A 803 1555 1555 2.60 +CISPEP 1 TRP A 528 PRO A 529 0 -0.01 +CISPEP 2 GLU A 604 PRO A 605 0 0.01 +SITE 1 MO4 5 CSE A 140 MGD A 801 MGD A 802 LYS A 63 +SITE 2 MO4 5 6MO A 803 +SITE 1 FS4 5 SF4 A 800 CYS A 8 CYS A 11 CYS A 15 +SITE 2 FS4 5 CYS A 42 +SITE 1 AC1 10 CYS A 8 TYR A 10 CYS A 11 SER A 13 +SITE 2 AC1 10 CYS A 15 LEU A 41 CYS A 42 LYS A 44 +SITE 3 AC1 10 GLY A 45 PRO A 182 +SITE 1 AC2 36 ARG A 110 GLY A 111 THR A 112 VAL A 139 +SITE 2 AC2 36 CSE A 140 MET A 297 GLN A 301 GLN A 335 +SITE 3 AC2 36 GLY A 402 GLU A 403 ASP A 404 THR A 408 +SITE 4 AC2 36 GLN A 428 ASP A 429 ILE A 430 PHE A 431 +SITE 5 AC2 36 THR A 433 SER A 445 THR A 446 HIS A 451 +SITE 6 AC2 36 ASP A 478 THR A 579 ARG A 581 SER A 587 +SITE 7 AC2 36 CYS A 588 SER A 590 TYR A 654 CYS A 661 +SITE 8 AC2 36 ASN A 662 TYR A 678 LYS A 679 MGD A 802 +SITE 9 AC2 36 6MO A 803 HOH A 814 HOH A 828 HOH A 849 +SITE 1 AC3 34 LYS A 44 CSE A 140 PHE A 173 GLY A 174 +SITE 2 AC3 34 TYR A 175 ASN A 176 ASP A 179 SER A 180 +SITE 3 AC3 34 CYS A 201 ASP A 202 PRO A 203 ARG A 204 +SITE 4 AC3 34 ILE A 206 GLY A 221 ASN A 223 GLY A 296 +SITE 5 AC3 34 MET A 297 GLY A 298 PHE A 302 GLY A 334 +SITE 6 AC3 34 GLN A 335 SER A 578 VAL A 580 ARG A 581 +SITE 7 AC3 34 GLU A 582 VAL A 583 HIS A 585 TYR A 586 +SITE 8 AC3 34 SER A 587 TYR A 654 LYS A 679 MGD A 801 +SITE 9 AC3 34 6MO A 803 HOH A 804 +SITE 1 AC4 4 CSE A 140 MGD A 801 MGD A 802 HOH A 861 +CRYST1 146.600 146.600 81.100 90.00 90.00 90.00 P 41 21 2 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.006821 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.006821 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.012330 0.00000 +ATOM 1 N MET A 1 69.175 1.588 30.187 1.00 30.48 N +ATOM 2 CA MET A 1 68.972 3.049 30.346 1.00 29.76 C +ATOM 3 C MET A 1 70.121 3.387 31.249 1.00 30.39 C +ATOM 4 O MET A 1 70.396 2.622 32.169 1.00 32.08 O +ATOM 5 CB MET A 1 67.664 3.327 31.064 1.00 27.72 C +ATOM 6 CG MET A 1 67.326 4.768 31.102 1.00 26.60 C +ATOM 7 SD MET A 1 65.765 5.092 30.256 1.00 29.83 S +ATOM 8 CE MET A 1 65.067 6.265 31.401 1.00 27.19 C +ATOM 9 N LYS A 2 70.824 4.476 30.971 1.00 29.60 N +ATOM 10 CA LYS A 2 71.962 4.841 31.790 1.00 28.27 C +ATOM 11 C LYS A 2 72.069 6.339 31.955 1.00 27.25 C +ATOM 12 O LYS A 2 71.306 7.089 31.365 1.00 27.09 O +ATOM 13 CB LYS A 2 73.259 4.300 31.185 1.00 28.17 C +ATOM 14 CG LYS A 2 73.572 4.849 29.807 1.00 30.42 C +ATOM 15 CD LYS A 2 75.031 4.619 29.479 1.00 33.82 C +ATOM 16 CE LYS A 2 75.476 5.391 28.238 1.00 35.40 C +ATOM 17 NZ LYS A 2 76.972 5.606 28.239 1.00 37.26 N +ATOM 18 N LYS A 3 73.021 6.750 32.783 1.00 26.03 N +ATOM 19 CA LYS A 3 73.286 8.143 33.052 1.00 25.07 C +ATOM 20 C LYS A 3 74.744 8.422 32.751 1.00 24.40 C +ATOM 21 O LYS A 3 75.623 7.628 33.103 1.00 23.94 O +ATOM 22 CB LYS A 3 72.942 8.490 34.497 1.00 25.34 C +ATOM 23 CG LYS A 3 71.494 8.911 34.622 1.00 28.94 C +ATOM 24 CD LYS A 3 71.097 9.284 36.036 1.00 32.47 C +ATOM 25 CE LYS A 3 69.576 9.295 36.165 1.00 34.47 C +ATOM 26 NZ LYS A 3 69.101 9.160 37.590 1.00 37.49 N +ATOM 27 N VAL A 4 74.986 9.534 32.061 1.00 23.14 N +ATOM 28 CA VAL A 4 76.326 9.955 31.669 1.00 21.10 C +ATOM 29 C VAL A 4 76.545 11.304 32.324 1.00 19.90 C +ATOM 30 O VAL A 4 75.723 12.193 32.189 1.00 20.26 O +ATOM 31 CB VAL A 4 76.439 10.086 30.116 1.00 20.76 C +ATOM 32 CG1 VAL A 4 77.835 10.449 29.695 1.00 19.06 C +ATOM 33 CG2 VAL A 4 76.035 8.793 29.453 1.00 19.98 C +ATOM 34 N VAL A 5 77.617 11.419 33.093 1.00 19.46 N +ATOM 35 CA VAL A 5 77.959 12.651 33.788 1.00 18.42 C +ATOM 36 C VAL A 5 78.576 13.677 32.847 1.00 19.01 C +ATOM 37 O VAL A 5 79.347 13.331 31.953 1.00 19.75 O +ATOM 38 CB VAL A 5 78.954 12.357 34.894 1.00 18.09 C +ATOM 39 CG1 VAL A 5 79.429 13.643 35.535 1.00 20.21 C +ATOM 40 CG2 VAL A 5 78.302 11.467 35.914 1.00 18.68 C +ATOM 41 N THR A 6 78.228 14.942 33.029 1.00 18.60 N +ATOM 42 CA THR A 6 78.783 15.978 32.184 1.00 18.12 C +ATOM 43 C THR A 6 78.759 17.269 32.969 1.00 17.46 C +ATOM 44 O THR A 6 78.338 17.293 34.124 1.00 18.94 O +ATOM 45 CB THR A 6 78.004 16.110 30.850 1.00 19.10 C +ATOM 46 OG1 THR A 6 78.747 16.933 29.934 1.00 21.25 O +ATOM 47 CG2 THR A 6 76.630 16.712 31.074 1.00 17.41 C +ATOM 48 N VAL A 7 79.294 18.317 32.370 1.00 15.57 N +ATOM 49 CA VAL A 7 79.340 19.631 32.978 1.00 14.73 C +ATOM 50 C VAL A 7 78.497 20.471 32.025 1.00 14.89 C +ATOM 51 O VAL A 7 78.452 20.170 30.829 1.00 16.08 O +ATOM 52 CB VAL A 7 80.799 20.147 33.018 1.00 13.81 C +ATOM 53 CG1 VAL A 7 80.837 21.626 33.302 1.00 17.03 C +ATOM 54 CG2 VAL A 7 81.573 19.419 34.070 1.00 11.22 C +ATOM 55 N CYS A 8 77.788 21.478 32.530 1.00 13.78 N +ATOM 56 CA CYS A 8 76.968 22.293 31.644 1.00 13.63 C +ATOM 57 C CYS A 8 77.798 23.194 30.714 1.00 13.28 C +ATOM 58 O CYS A 8 78.718 23.883 31.161 1.00 12.55 O +ATOM 59 CB CYS A 8 75.963 23.114 32.439 1.00 13.13 C +ATOM 60 SG CYS A 8 74.930 24.219 31.417 1.00 15.41 S +ATOM 61 N PRO A 9 77.489 23.170 29.398 1.00 13.31 N +ATOM 62 CA PRO A 9 78.121 23.928 28.303 1.00 13.31 C +ATOM 63 C PRO A 9 77.683 25.396 28.174 1.00 12.18 C +ATOM 64 O PRO A 9 78.071 26.084 27.233 1.00 12.95 O +ATOM 65 CB PRO A 9 77.677 23.153 27.065 1.00 13.41 C +ATOM 66 CG PRO A 9 76.300 22.754 27.427 1.00 14.24 C +ATOM 67 CD PRO A 9 76.493 22.235 28.846 1.00 13.78 C +ATOM 68 N TYR A 10 76.897 25.879 29.120 1.00 10.40 N +ATOM 69 CA TYR A 10 76.413 27.227 29.037 1.00 8.25 C +ATOM 70 C TYR A 10 77.295 28.130 29.828 1.00 8.66 C +ATOM 71 O TYR A 10 78.385 28.434 29.350 1.00 10.76 O +ATOM 72 CB TYR A 10 74.929 27.289 29.411 1.00 9.08 C +ATOM 73 CG TYR A 10 74.098 26.652 28.329 1.00 7.64 C +ATOM 74 CD1 TYR A 10 74.054 27.215 27.072 1.00 9.52 C +ATOM 75 CD2 TYR A 10 73.451 25.435 28.523 1.00 10.91 C +ATOM 76 CE1 TYR A 10 73.395 26.592 26.021 1.00 12.65 C +ATOM 77 CE2 TYR A 10 72.782 24.784 27.464 1.00 10.79 C +ATOM 78 CZ TYR A 10 72.768 25.382 26.220 1.00 11.54 C +ATOM 79 OH TYR A 10 72.141 24.821 25.142 1.00 13.39 O +ATOM 80 N CYS A 11 76.910 28.525 31.040 1.00 7.48 N +ATOM 81 CA CYS A 11 77.786 29.413 31.787 1.00 6.57 C +ATOM 82 C CYS A 11 78.971 28.767 32.537 1.00 5.85 C +ATOM 83 O CYS A 11 79.159 27.562 32.502 1.00 4.79 O +ATOM 84 CB CYS A 11 76.971 30.376 32.643 1.00 8.81 C +ATOM 85 SG CYS A 11 76.427 29.839 34.281 1.00 10.67 S +ATOM 86 N ALA A 12 79.852 29.581 33.108 1.00 7.23 N +ATOM 87 CA ALA A 12 81.016 29.064 33.830 1.00 6.10 C +ATOM 88 C ALA A 12 80.757 28.635 35.267 1.00 6.03 C +ATOM 89 O ALA A 12 81.692 28.497 36.046 1.00 5.99 O +ATOM 90 CB ALA A 12 82.144 30.068 33.796 1.00 4.76 C +ATOM 91 N SER A 13 79.502 28.401 35.626 1.00 6.35 N +ATOM 92 CA SER A 13 79.202 27.978 36.984 1.00 7.00 C +ATOM 93 C SER A 13 79.780 26.585 37.170 1.00 7.90 C +ATOM 94 O SER A 13 80.098 26.192 38.284 1.00 8.69 O +ATOM 95 CB SER A 13 77.700 27.983 37.226 1.00 8.25 C +ATOM 96 OG SER A 13 77.152 29.275 36.993 1.00 11.86 O +ATOM 97 N GLY A 14 79.891 25.842 36.070 1.00 8.07 N +ATOM 98 CA GLY A 14 80.464 24.512 36.113 1.00 9.24 C +ATOM 99 C GLY A 14 79.571 23.473 36.743 1.00 11.39 C +ATOM 100 O GLY A 14 80.049 22.531 37.412 1.00 11.36 O +ATOM 101 N CYS A 15 78.268 23.639 36.532 1.00 11.42 N +ATOM 102 CA CYS A 15 77.285 22.701 37.069 1.00 11.89 C +ATOM 103 C CYS A 15 77.440 21.306 36.452 1.00 11.67 C +ATOM 104 O CYS A 15 77.611 21.180 35.242 1.00 11.28 O +ATOM 105 CB CYS A 15 75.861 23.224 36.841 1.00 10.52 C +ATOM 106 SG CYS A 15 75.444 24.758 37.739 1.00 9.64 S +ATOM 107 N LYS A 16 77.469 20.287 37.313 1.00 12.41 N +ATOM 108 CA LYS A 16 77.566 18.881 36.909 1.00 12.04 C +ATOM 109 C LYS A 16 76.156 18.340 36.606 1.00 13.46 C +ATOM 110 O LYS A 16 75.238 18.457 37.434 1.00 13.62 O +ATOM 111 CB LYS A 16 78.175 18.061 38.039 1.00 10.56 C +ATOM 112 CG LYS A 16 79.676 18.151 38.177 1.00 10.85 C +ATOM 113 CD LYS A 16 80.418 17.345 37.122 1.00 8.91 C +ATOM 114 CE LYS A 16 81.911 17.339 37.446 1.00 10.25 C +ATOM 115 NZ LYS A 16 82.818 16.677 36.464 1.00 10.07 N +ATOM 116 N ILE A 17 76.010 17.702 35.451 1.00 14.25 N +ATOM 117 CA ILE A 17 74.744 17.146 34.977 1.00 16.36 C +ATOM 118 C ILE A 17 74.831 15.635 34.742 1.00 18.80 C +ATOM 119 O ILE A 17 75.912 15.111 34.413 1.00 20.85 O +ATOM 120 CB ILE A 17 74.376 17.777 33.600 1.00 15.80 C +ATOM 121 CG1 ILE A 17 73.906 19.213 33.766 1.00 16.74 C +ATOM 122 CG2 ILE A 17 73.318 16.949 32.842 1.00 15.52 C +ATOM 123 CD1 ILE A 17 73.472 19.804 32.445 1.00 20.20 C +ATOM 124 N ASN A 18 73.693 14.952 34.911 1.00 18.64 N +ATOM 125 CA ASN A 18 73.557 13.523 34.638 1.00 16.77 C +ATOM 126 C ASN A 18 72.631 13.541 33.442 1.00 18.04 C +ATOM 127 O ASN A 18 71.503 14.040 33.538 1.00 18.74 O +ATOM 128 CB ASN A 18 72.826 12.788 35.748 1.00 15.99 C +ATOM 129 CG ASN A 18 73.702 12.476 36.907 1.00 17.06 C +ATOM 130 OD1 ASN A 18 74.921 12.513 36.804 1.00 18.00 O +ATOM 131 ND2 ASN A 18 73.090 12.180 38.039 1.00 16.10 N +ATOM 132 N LEU A 19 73.133 13.123 32.290 1.00 18.11 N +ATOM 133 CA LEU A 19 72.331 13.062 31.083 1.00 17.38 C +ATOM 134 C LEU A 19 71.880 11.621 31.039 1.00 17.17 C +ATOM 135 O LEU A 19 72.720 10.732 31.045 1.00 17.68 O +ATOM 136 CB LEU A 19 73.187 13.353 29.842 1.00 17.95 C +ATOM 137 CG LEU A 19 73.656 14.775 29.498 1.00 17.39 C +ATOM 138 CD1 LEU A 19 74.857 14.749 28.543 1.00 14.48 C +ATOM 139 CD2 LEU A 19 72.505 15.522 28.874 1.00 17.68 C +ATOM 140 N VAL A 20 70.574 11.386 31.055 1.00 17.12 N +ATOM 141 CA VAL A 20 70.040 10.030 31.003 1.00 18.56 C +ATOM 142 C VAL A 20 69.995 9.631 29.532 1.00 20.83 C +ATOM 143 O VAL A 20 69.382 10.338 28.735 1.00 23.67 O +ATOM 144 CB VAL A 20 68.582 9.964 31.543 1.00 17.48 C +ATOM 145 CG1 VAL A 20 68.120 8.533 31.649 1.00 12.38 C +ATOM 146 CG2 VAL A 20 68.463 10.682 32.873 1.00 17.16 C +ATOM 147 N VAL A 21 70.684 8.562 29.151 1.00 22.11 N +ATOM 148 CA VAL A 21 70.653 8.109 27.772 1.00 24.31 C +ATOM 149 C VAL A 21 69.834 6.843 27.758 1.00 27.10 C +ATOM 150 O VAL A 21 69.899 6.050 28.696 1.00 27.74 O +ATOM 151 CB VAL A 21 72.059 7.791 27.202 1.00 23.79 C +ATOM 152 CG1 VAL A 21 71.943 7.200 25.788 1.00 22.56 C +ATOM 153 CG2 VAL A 21 72.896 9.044 27.159 1.00 24.60 C +ATOM 154 N ASP A 22 69.020 6.688 26.722 1.00 30.44 N +ATOM 155 CA ASP A 22 68.190 5.514 26.558 1.00 33.28 C +ATOM 156 C ASP A 22 68.269 5.143 25.086 1.00 35.17 C +ATOM 157 O ASP A 22 67.928 5.948 24.199 1.00 34.57 O +ATOM 158 CB ASP A 22 66.750 5.771 26.995 1.00 34.31 C +ATOM 159 CG ASP A 22 65.880 4.525 26.867 1.00 37.37 C +ATOM 160 OD1 ASP A 22 66.424 3.385 26.868 1.00 35.25 O +ATOM 161 OD2 ASP A 22 64.646 4.693 26.746 1.00 39.28 O +ATOM 162 N ASN A 23 68.702 3.902 24.853 1.00 37.39 N +ATOM 163 CA ASN A 23 68.935 3.355 23.519 1.00 38.31 C +ATOM 164 C ASN A 23 70.160 4.116 23.043 1.00 37.74 C +ATOM 165 O ASN A 23 71.205 4.040 23.699 1.00 40.79 O +ATOM 166 CB ASN A 23 67.723 3.522 22.601 1.00 41.10 C +ATOM 167 CG ASN A 23 66.849 2.277 22.582 1.00 44.24 C +ATOM 168 OD1 ASN A 23 65.925 2.122 23.399 1.00 46.90 O +ATOM 169 ND2 ASN A 23 67.167 1.356 21.679 1.00 44.81 N +ATOM 170 N GLY A 24 70.064 4.887 21.974 1.00 35.04 N +ATOM 171 CA GLY A 24 71.244 5.631 21.576 1.00 32.94 C +ATOM 172 C GLY A 24 70.944 7.109 21.542 1.00 30.17 C +ATOM 173 O GLY A 24 71.494 7.839 20.727 1.00 28.38 O +ATOM 174 N LYS A 25 70.091 7.553 22.455 1.00 29.74 N +ATOM 175 CA LYS A 25 69.668 8.940 22.474 1.00 28.86 C +ATOM 176 C LYS A 25 69.648 9.561 23.865 1.00 28.27 C +ATOM 177 O LYS A 25 69.442 8.860 24.858 1.00 26.35 O +ATOM 178 CB LYS A 25 68.262 9.017 21.887 1.00 28.61 C +ATOM 179 CG LYS A 25 68.107 8.356 20.541 1.00 30.81 C +ATOM 180 CD LYS A 25 66.767 7.658 20.426 1.00 33.37 C +ATOM 181 CE LYS A 25 66.268 7.674 18.993 1.00 36.38 C +ATOM 182 NZ LYS A 25 66.075 9.080 18.470 1.00 39.20 N +ATOM 183 N ILE A 26 69.897 10.872 23.930 1.00 27.96 N +ATOM 184 CA ILE A 26 69.837 11.583 25.203 1.00 28.22 C +ATOM 185 C ILE A 26 68.356 11.793 25.443 1.00 27.82 C +ATOM 186 O ILE A 26 67.631 12.316 24.587 1.00 26.95 O +ATOM 187 CB ILE A 26 70.541 12.944 25.191 1.00 28.64 C +ATOM 188 CG1 ILE A 26 72.064 12.746 25.233 1.00 26.91 C +ATOM 189 CG2 ILE A 26 70.061 13.766 26.407 1.00 28.85 C +ATOM 190 CD1 ILE A 26 72.854 13.918 24.737 1.00 23.69 C +ATOM 191 N VAL A 27 67.936 11.400 26.633 1.00 27.14 N +ATOM 192 CA VAL A 27 66.545 11.431 27.020 1.00 26.20 C +ATOM 193 C VAL A 27 66.134 12.561 27.959 1.00 25.99 C +ATOM 194 O VAL A 27 65.068 13.167 27.802 1.00 26.17 O +ATOM 195 CB VAL A 27 66.202 10.050 27.602 1.00 24.53 C +ATOM 196 CG1 VAL A 27 65.574 10.143 28.959 1.00 23.95 C +ATOM 197 CG2 VAL A 27 65.352 9.315 26.648 1.00 23.76 C +ATOM 198 N ARG A 28 67.014 12.889 28.890 1.00 25.70 N +ATOM 199 CA ARG A 28 66.715 13.911 29.872 1.00 24.59 C +ATOM 200 C ARG A 28 68.023 14.310 30.550 1.00 25.29 C +ATOM 201 O ARG A 28 69.039 13.598 30.418 1.00 24.61 O +ATOM 202 CB ARG A 28 65.703 13.333 30.869 1.00 22.94 C +ATOM 203 CG ARG A 28 65.704 13.903 32.251 1.00 21.95 C +ATOM 204 CD ARG A 28 64.547 13.339 33.037 1.00 22.69 C +ATOM 205 NE ARG A 28 64.655 11.891 33.149 1.00 23.43 N +ATOM 206 CZ ARG A 28 65.354 11.261 34.094 1.00 25.30 C +ATOM 207 NH1 ARG A 28 66.010 11.954 35.024 1.00 23.59 N +ATOM 208 NH2 ARG A 28 65.405 9.927 34.101 1.00 25.43 N +ATOM 209 N ALA A 29 67.998 15.479 31.197 1.00 24.08 N +ATOM 210 CA ALA A 29 69.130 16.050 31.904 1.00 22.52 C +ATOM 211 C ALA A 29 68.695 16.284 33.326 1.00 22.90 C +ATOM 212 O ALA A 29 67.579 16.712 33.570 1.00 25.45 O +ATOM 213 CB ALA A 29 69.499 17.370 31.281 1.00 22.58 C +ATOM 214 N GLU A 30 69.561 16.006 34.278 1.00 22.86 N +ATOM 215 CA GLU A 30 69.221 16.226 35.673 1.00 21.56 C +ATOM 216 C GLU A 30 70.471 16.611 36.441 1.00 20.13 C +ATOM 217 O GLU A 30 71.563 16.104 36.169 1.00 20.50 O +ATOM 218 CB GLU A 30 68.578 14.977 36.280 1.00 23.78 C +ATOM 219 CG GLU A 30 69.339 13.684 36.038 1.00 26.26 C +ATOM 220 CD GLU A 30 68.968 12.610 37.039 1.00 27.37 C +ATOM 221 OE1 GLU A 30 67.856 12.050 36.930 1.00 28.22 O +ATOM 222 OE2 GLU A 30 69.786 12.339 37.946 1.00 28.01 O +ATOM 223 N ALA A 31 70.325 17.540 37.370 1.00 17.77 N +ATOM 224 CA ALA A 31 71.468 17.974 38.151 1.00 17.33 C +ATOM 225 C ALA A 31 72.205 16.805 38.793 1.00 16.15 C +ATOM 226 O ALA A 31 71.605 15.806 39.122 1.00 16.80 O +ATOM 227 CB ALA A 31 71.027 18.946 39.209 1.00 16.48 C +ATOM 228 N ALA A 32 73.519 16.928 38.904 1.00 15.93 N +ATOM 229 CA ALA A 32 74.367 15.927 39.528 1.00 14.39 C +ATOM 230 C ALA A 32 74.911 16.629 40.767 1.00 13.10 C +ATOM 231 O ALA A 32 74.755 17.834 40.893 1.00 12.71 O +ATOM 232 CB ALA A 32 75.496 15.545 38.596 1.00 14.67 C +ATOM 233 N GLN A 33 75.510 15.900 41.701 1.00 13.31 N +ATOM 234 CA GLN A 33 76.040 16.547 42.894 1.00 13.40 C +ATOM 235 C GLN A 33 77.446 17.115 42.644 1.00 14.79 C +ATOM 236 O GLN A 33 78.435 16.646 43.216 1.00 16.50 O +ATOM 237 CB GLN A 33 76.054 15.594 44.088 1.00 12.32 C +ATOM 238 CG GLN A 33 74.691 15.079 44.522 1.00 13.95 C +ATOM 239 CD GLN A 33 73.664 16.186 44.741 1.00 15.02 C +ATOM 240 OE1 GLN A 33 73.928 17.157 45.450 1.00 12.94 O +ATOM 241 NE2 GLN A 33 72.480 16.038 44.124 1.00 12.69 N +ATOM 242 N GLY A 34 77.529 18.089 41.746 1.00 14.99 N +ATOM 243 CA GLY A 34 78.791 18.729 41.452 1.00 15.83 C +ATOM 244 C GLY A 34 79.191 19.597 42.646 1.00 18.04 C +ATOM 245 O GLY A 34 78.383 19.821 43.561 1.00 18.01 O +ATOM 246 N LYS A 35 80.400 20.156 42.586 1.00 17.09 N +ATOM 247 CA LYS A 35 80.960 20.968 43.650 1.00 16.62 C +ATOM 248 C LYS A 35 80.288 22.328 43.782 1.00 17.22 C +ATOM 249 O LYS A 35 80.038 22.795 44.890 1.00 17.76 O +ATOM 250 CB LYS A 35 82.476 21.107 43.418 1.00 17.15 C +ATOM 251 CG LYS A 35 83.247 22.003 44.380 1.00 14.86 C +ATOM 252 CD LYS A 35 83.118 21.528 45.779 1.00 14.22 C +ATOM 253 CE LYS A 35 84.001 22.310 46.707 1.00 15.92 C +ATOM 254 NZ LYS A 35 85.272 21.582 46.986 1.00 20.82 N +ATOM 255 N THR A 36 79.971 22.948 42.651 1.00 17.56 N +ATOM 256 CA THR A 36 79.333 24.264 42.653 1.00 16.86 C +ATOM 257 C THR A 36 77.816 24.218 42.796 1.00 17.27 C +ATOM 258 O THR A 36 77.241 24.885 43.656 1.00 17.88 O +ATOM 259 CB THR A 36 79.633 25.048 41.361 1.00 14.42 C +ATOM 260 OG1 THR A 36 79.196 24.288 40.232 1.00 13.09 O +ATOM 261 CG2 THR A 36 81.104 25.308 41.236 1.00 14.28 C +ATOM 262 N ASN A 37 77.179 23.432 41.939 1.00 17.64 N +ATOM 263 CA ASN A 37 75.726 23.327 41.901 1.00 17.40 C +ATOM 264 C ASN A 37 75.061 22.392 42.882 1.00 16.75 C +ATOM 265 O ASN A 37 73.877 22.550 43.135 1.00 17.67 O +ATOM 266 CB ASN A 37 75.266 22.923 40.506 1.00 17.55 C +ATOM 267 CG ASN A 37 75.624 21.514 40.193 1.00 16.61 C +ATOM 268 OD1 ASN A 37 76.700 21.061 40.569 1.00 17.72 O +ATOM 269 ND2 ASN A 37 74.727 20.791 39.542 1.00 17.21 N +ATOM 270 N GLN A 38 75.742 21.328 43.286 1.00 15.92 N +ATOM 271 CA GLN A 38 75.163 20.397 44.245 1.00 15.60 C +ATOM 272 C GLN A 38 73.682 20.066 44.033 1.00 15.30 C +ATOM 273 O GLN A 38 72.819 20.510 44.792 1.00 14.38 O +ATOM 274 CB GLN A 38 75.341 20.926 45.650 1.00 16.29 C +ATOM 275 CG GLN A 38 76.746 20.819 46.168 1.00 24.24 C +ATOM 276 CD GLN A 38 76.917 21.586 47.464 1.00 29.20 C +ATOM 277 OE1 GLN A 38 76.454 21.142 48.534 1.00 33.05 O +ATOM 278 NE2 GLN A 38 77.545 22.768 47.381 1.00 28.18 N +ATOM 279 N GLY A 39 73.380 19.354 42.956 1.00 14.46 N +ATOM 280 CA GLY A 39 72.007 18.966 42.723 1.00 13.89 C +ATOM 281 C GLY A 39 71.076 19.991 42.115 1.00 13.33 C +ATOM 282 O GLY A 39 69.898 19.705 41.897 1.00 12.93 O +ATOM 283 N THR A 40 71.566 21.186 41.834 1.00 13.08 N +ATOM 284 CA THR A 40 70.697 22.154 41.209 1.00 10.91 C +ATOM 285 C THR A 40 71.202 22.519 39.832 1.00 10.46 C +ATOM 286 O THR A 40 72.355 22.296 39.504 1.00 9.46 O +ATOM 287 CB THR A 40 70.602 23.414 42.016 1.00 10.09 C +ATOM 288 OG1 THR A 40 71.827 24.150 41.905 1.00 11.23 O +ATOM 289 CG2 THR A 40 70.330 23.082 43.436 1.00 8.32 C +ATOM 290 N LEU A 41 70.310 23.092 39.041 1.00 11.29 N +ATOM 291 CA LEU A 41 70.588 23.558 37.693 1.00 12.10 C +ATOM 292 C LEU A 41 69.552 24.641 37.450 1.00 11.96 C +ATOM 293 O LEU A 41 68.568 24.759 38.191 1.00 11.19 O +ATOM 294 CB LEU A 41 70.367 22.452 36.663 1.00 11.55 C +ATOM 295 CG LEU A 41 71.291 21.243 36.576 1.00 12.62 C +ATOM 296 CD1 LEU A 41 70.675 20.239 35.615 1.00 10.19 C +ATOM 297 CD2 LEU A 41 72.693 21.657 36.114 1.00 12.93 C +ATOM 298 N CYS A 42 69.757 25.414 36.396 1.00 12.27 N +ATOM 299 CA CYS A 42 68.810 26.452 36.047 1.00 13.24 C +ATOM 300 C CYS A 42 68.144 25.974 34.771 1.00 13.08 C +ATOM 301 O CYS A 42 68.565 24.975 34.203 1.00 14.16 O +ATOM 302 CB CYS A 42 69.528 27.781 35.828 1.00 12.84 C +ATOM 303 SG CYS A 42 70.439 27.856 34.274 1.00 15.29 S +ATOM 304 N LEU A 43 67.103 26.674 34.343 1.00 14.36 N +ATOM 305 CA LEU A 43 66.343 26.350 33.134 1.00 15.67 C +ATOM 306 C LEU A 43 67.197 25.872 31.956 1.00 15.88 C +ATOM 307 O LEU A 43 66.896 24.856 31.354 1.00 16.88 O +ATOM 308 CB LEU A 43 65.541 27.578 32.688 1.00 17.89 C +ATOM 309 CG LEU A 43 64.199 27.435 31.955 1.00 18.38 C +ATOM 310 CD1 LEU A 43 63.104 27.263 32.970 1.00 15.49 C +ATOM 311 CD2 LEU A 43 63.941 28.697 31.124 1.00 17.35 C +ATOM 312 N LYS A 44 68.261 26.591 31.626 1.00 17.06 N +ATOM 313 CA LYS A 44 69.124 26.199 30.503 1.00 17.96 C +ATOM 314 C LYS A 44 69.827 24.856 30.698 1.00 18.35 C +ATOM 315 O LYS A 44 69.846 24.021 29.801 1.00 19.59 O +ATOM 316 CB LYS A 44 70.167 27.282 30.224 1.00 18.72 C +ATOM 317 CG LYS A 44 69.623 28.569 29.616 1.00 19.97 C +ATOM 318 CD LYS A 44 70.686 29.636 29.613 1.00 19.74 C +ATOM 319 CE LYS A 44 71.226 29.781 31.015 1.00 20.56 C +ATOM 320 NZ LYS A 44 72.208 30.870 31.121 1.00 22.37 N +ATOM 321 N GLY A 45 70.432 24.651 31.859 1.00 18.84 N +ATOM 322 CA GLY A 45 71.110 23.395 32.088 1.00 18.22 C +ATOM 323 C GLY A 45 70.110 22.272 31.946 1.00 18.95 C +ATOM 324 O GLY A 45 70.395 21.276 31.286 1.00 19.14 O +ATOM 325 N TYR A 46 68.912 22.488 32.494 1.00 19.15 N +ATOM 326 CA TYR A 46 67.804 21.519 32.497 1.00 19.11 C +ATOM 327 C TYR A 46 67.153 21.269 31.149 1.00 18.38 C +ATOM 328 O TYR A 46 66.897 20.132 30.790 1.00 19.29 O +ATOM 329 CB TYR A 46 66.711 22.004 33.456 1.00 20.77 C +ATOM 330 CG TYR A 46 65.889 20.920 34.139 1.00 23.55 C +ATOM 331 CD1 TYR A 46 64.733 20.380 33.530 1.00 24.59 C +ATOM 332 CD2 TYR A 46 66.231 20.479 35.430 1.00 23.89 C +ATOM 333 CE1 TYR A 46 63.930 19.423 34.199 1.00 25.08 C +ATOM 334 CE2 TYR A 46 65.452 19.538 36.104 1.00 25.62 C +ATOM 335 CZ TYR A 46 64.298 19.012 35.494 1.00 26.61 C +ATOM 336 OH TYR A 46 63.523 18.110 36.207 1.00 24.75 O +ATOM 337 N TYR A 47 66.878 22.335 30.410 1.00 18.17 N +ATOM 338 CA TYR A 47 66.198 22.243 29.122 1.00 17.80 C +ATOM 339 C TYR A 47 67.057 22.414 27.863 1.00 19.12 C +ATOM 340 O TYR A 47 66.672 21.965 26.775 1.00 21.30 O +ATOM 341 CB TYR A 47 65.084 23.292 29.071 1.00 16.49 C +ATOM 342 CG TYR A 47 63.902 23.024 29.970 1.00 15.44 C +ATOM 343 CD1 TYR A 47 63.071 21.940 29.735 1.00 14.23 C +ATOM 344 CD2 TYR A 47 63.579 23.882 31.021 1.00 15.04 C +ATOM 345 CE1 TYR A 47 61.955 21.708 30.496 1.00 12.46 C +ATOM 346 CE2 TYR A 47 62.449 23.651 31.797 1.00 14.57 C +ATOM 347 CZ TYR A 47 61.641 22.555 31.517 1.00 13.18 C +ATOM 348 OH TYR A 47 60.493 22.301 32.227 1.00 13.02 O +ATOM 349 N GLY A 48 68.201 23.067 27.986 1.00 18.07 N +ATOM 350 CA GLY A 48 69.019 23.300 26.814 1.00 18.70 C +ATOM 351 C GLY A 48 69.928 22.223 26.245 1.00 19.78 C +ATOM 352 O GLY A 48 71.067 22.543 25.937 1.00 21.42 O +ATOM 353 N TRP A 49 69.464 20.983 26.057 1.00 20.09 N +ATOM 354 CA TRP A 49 70.319 19.910 25.489 1.00 17.78 C +ATOM 355 C TRP A 49 69.773 19.249 24.222 1.00 17.20 C +ATOM 356 O TRP A 49 70.481 18.508 23.536 1.00 15.05 O +ATOM 357 CB TRP A 49 70.591 18.811 26.517 1.00 16.15 C +ATOM 358 CG TRP A 49 69.350 18.222 27.114 1.00 16.64 C +ATOM 359 CD1 TRP A 49 68.805 18.548 28.311 1.00 16.31 C +ATOM 360 CD2 TRP A 49 68.462 17.257 26.520 1.00 15.36 C +ATOM 361 NE1 TRP A 49 67.631 17.874 28.499 1.00 16.38 N +ATOM 362 CE2 TRP A 49 67.394 17.069 27.419 1.00 14.49 C +ATOM 363 CE3 TRP A 49 68.465 16.543 25.312 1.00 15.74 C +ATOM 364 CZ2 TRP A 49 66.331 16.201 27.158 1.00 13.13 C +ATOM 365 CZ3 TRP A 49 67.408 15.680 25.040 1.00 15.65 C +ATOM 366 CH2 TRP A 49 66.349 15.517 25.968 1.00 15.62 C +ATOM 367 N ASP A 50 68.519 19.502 23.888 1.00 18.13 N +ATOM 368 CA ASP A 50 67.986 18.842 22.710 1.00 19.49 C +ATOM 369 C ASP A 50 68.447 19.433 21.384 1.00 19.59 C +ATOM 370 O ASP A 50 67.909 19.083 20.345 1.00 20.99 O +ATOM 371 CB ASP A 50 66.460 18.695 22.791 1.00 19.41 C +ATOM 372 CG ASP A 50 65.748 20.002 22.679 1.00 21.12 C +ATOM 373 OD1 ASP A 50 66.222 20.950 23.333 1.00 23.69 O +ATOM 374 OD2 ASP A 50 64.721 20.090 21.946 1.00 22.79 O +ATOM 375 N PHE A 51 69.466 20.300 21.418 1.00 19.87 N +ATOM 376 CA PHE A 51 70.019 20.919 20.191 1.00 17.00 C +ATOM 377 C PHE A 51 70.992 19.939 19.524 1.00 16.51 C +ATOM 378 O PHE A 51 71.439 20.169 18.413 1.00 14.74 O +ATOM 379 CB PHE A 51 70.765 22.213 20.522 1.00 14.82 C +ATOM 380 CG PHE A 51 71.947 22.004 21.419 1.00 12.30 C +ATOM 381 CD1 PHE A 51 73.153 21.529 20.903 1.00 12.17 C +ATOM 382 CD2 PHE A 51 71.830 22.193 22.786 1.00 11.26 C +ATOM 383 CE1 PHE A 51 74.212 21.235 21.720 1.00 10.43 C +ATOM 384 CE2 PHE A 51 72.889 21.900 23.626 1.00 12.56 C +ATOM 385 CZ PHE A 51 74.084 21.415 23.089 1.00 12.89 C +ATOM 386 N ILE A 52 71.397 18.912 20.269 1.00 17.09 N +ATOM 387 CA ILE A 52 72.295 17.874 19.757 1.00 18.28 C +ATOM 388 C ILE A 52 71.536 17.090 18.694 1.00 18.18 C +ATOM 389 O ILE A 52 72.127 16.622 17.719 1.00 18.15 O +ATOM 390 CB ILE A 52 72.701 16.841 20.872 1.00 18.25 C +ATOM 391 CG1 ILE A 52 73.443 17.525 22.007 1.00 18.27 C +ATOM 392 CG2 ILE A 52 73.607 15.765 20.314 1.00 18.30 C +ATOM 393 CD1 ILE A 52 73.808 16.582 23.095 1.00 17.03 C +ATOM 394 N ASN A 53 70.219 16.993 18.880 1.00 17.97 N +ATOM 395 CA ASN A 53 69.355 16.241 17.974 1.00 18.57 C +ATOM 396 C ASN A 53 68.846 16.883 16.676 1.00 17.29 C +ATOM 397 O ASN A 53 67.931 16.360 16.035 1.00 16.67 O +ATOM 398 CB ASN A 53 68.228 15.588 18.764 1.00 20.13 C +ATOM 399 CG ASN A 53 68.745 14.524 19.702 1.00 22.32 C +ATOM 400 OD1 ASN A 53 69.364 13.549 19.263 1.00 24.72 O +ATOM 401 ND2 ASN A 53 68.540 14.717 21.003 1.00 23.82 N +ATOM 402 N ASP A 54 69.421 18.022 16.310 1.00 16.20 N +ATOM 403 CA ASP A 54 69.095 18.691 15.056 1.00 16.01 C +ATOM 404 C ASP A 54 67.616 19.047 14.920 1.00 16.17 C +ATOM 405 O ASP A 54 66.955 18.718 13.929 1.00 16.01 O +ATOM 406 CB ASP A 54 69.574 17.809 13.884 1.00 16.63 C +ATOM 407 CG ASP A 54 69.627 18.545 12.548 1.00 17.90 C +ATOM 408 OD1 ASP A 54 69.579 19.789 12.539 1.00 20.97 O +ATOM 409 OD2 ASP A 54 69.725 17.865 11.500 1.00 16.12 O +ATOM 410 N THR A 55 67.101 19.763 15.906 1.00 15.16 N +ATOM 411 CA THR A 55 65.710 20.183 15.862 1.00 13.19 C +ATOM 412 C THR A 55 65.426 21.000 14.592 1.00 13.97 C +ATOM 413 O THR A 55 64.381 20.851 13.958 1.00 15.32 O +ATOM 414 CB THR A 55 65.375 21.027 17.074 1.00 10.58 C +ATOM 415 OG1 THR A 55 65.915 22.339 16.890 1.00 10.48 O +ATOM 416 CG2 THR A 55 65.976 20.393 18.324 1.00 7.29 C +ATOM 417 N GLN A 56 66.371 21.860 14.226 1.00 14.03 N +ATOM 418 CA GLN A 56 66.249 22.710 13.048 1.00 14.53 C +ATOM 419 C GLN A 56 65.264 23.847 13.289 1.00 15.09 C +ATOM 420 O GLN A 56 64.812 24.523 12.353 1.00 15.71 O +ATOM 421 CB GLN A 56 65.845 21.894 11.823 1.00 14.93 C +ATOM 422 CG GLN A 56 66.844 20.803 11.493 1.00 17.31 C +ATOM 423 CD GLN A 56 66.837 20.397 10.040 1.00 18.10 C +ATOM 424 OE1 GLN A 56 66.170 21.004 9.207 1.00 19.26 O +ATOM 425 NE2 GLN A 56 67.614 19.382 9.720 1.00 19.36 N +ATOM 426 N ILE A 57 64.983 24.090 14.564 1.00 13.62 N +ATOM 427 CA ILE A 57 64.075 25.138 14.960 1.00 12.14 C +ATOM 428 C ILE A 57 64.621 26.441 14.446 1.00 13.23 C +ATOM 429 O ILE A 57 63.899 27.155 13.758 1.00 14.08 O +ATOM 430 CB ILE A 57 63.915 25.177 16.490 1.00 12.75 C +ATOM 431 CG1 ILE A 57 63.059 23.983 16.967 1.00 12.62 C +ATOM 432 CG2 ILE A 57 63.323 26.484 16.924 1.00 11.13 C +ATOM 433 CD1 ILE A 57 62.983 23.817 18.481 1.00 12.45 C +ATOM 434 N LEU A 58 65.918 26.680 14.706 1.00 14.04 N +ATOM 435 CA LEU A 58 66.657 27.896 14.310 1.00 12.42 C +ATOM 436 C LEU A 58 67.629 27.654 13.158 1.00 13.97 C +ATOM 437 O LEU A 58 67.676 28.437 12.203 1.00 14.80 O +ATOM 438 CB LEU A 58 67.449 28.454 15.502 1.00 11.00 C +ATOM 439 CG LEU A 58 68.055 29.862 15.383 1.00 10.24 C +ATOM 440 CD1 LEU A 58 66.942 30.900 15.433 1.00 9.88 C +ATOM 441 CD2 LEU A 58 69.077 30.149 16.473 1.00 7.24 C +ATOM 442 N THR A 59 68.489 26.642 13.291 1.00 16.15 N +ATOM 443 CA THR A 59 69.459 26.309 12.232 1.00 15.87 C +ATOM 444 C THR A 59 69.738 24.845 12.186 1.00 16.90 C +ATOM 445 O THR A 59 69.868 24.199 13.230 1.00 18.25 O +ATOM 446 CB THR A 59 70.858 26.880 12.420 1.00 15.28 C +ATOM 447 OG1 THR A 59 70.874 27.896 13.420 1.00 17.97 O +ATOM 448 CG2 THR A 59 71.336 27.427 11.114 1.00 15.90 C +ATOM 449 N PRO A 60 69.862 24.289 10.976 1.00 17.19 N +ATOM 450 CA PRO A 60 70.143 22.865 10.944 1.00 17.46 C +ATOM 451 C PRO A 60 71.592 22.680 11.308 1.00 16.89 C +ATOM 452 O PRO A 60 72.431 23.522 11.005 1.00 16.81 O +ATOM 453 CB PRO A 60 69.863 22.497 9.485 1.00 17.82 C +ATOM 454 CG PRO A 60 70.180 23.711 8.772 1.00 17.11 C +ATOM 455 CD PRO A 60 69.583 24.787 9.621 1.00 17.57 C +ATOM 456 N ARG A 61 71.846 21.605 12.034 1.00 16.81 N +ATOM 457 CA ARG A 61 73.174 21.227 12.467 1.00 15.23 C +ATOM 458 C ARG A 61 74.045 20.903 11.233 1.00 15.05 C +ATOM 459 O ARG A 61 73.542 20.448 10.207 1.00 13.96 O +ATOM 460 CB ARG A 61 73.048 19.990 13.357 1.00 12.40 C +ATOM 461 CG ARG A 61 74.260 19.742 14.169 1.00 13.33 C +ATOM 462 CD ARG A 61 74.123 20.188 15.596 1.00 11.55 C +ATOM 463 NE ARG A 61 74.047 19.010 16.434 1.00 11.52 N +ATOM 464 CZ ARG A 61 75.065 18.178 16.625 1.00 14.52 C +ATOM 465 NH1 ARG A 61 76.246 18.404 16.056 1.00 15.03 N +ATOM 466 NH2 ARG A 61 74.881 17.060 17.313 1.00 16.68 N +ATOM 467 N LEU A 62 75.343 21.176 11.336 1.00 16.10 N +ATOM 468 CA LEU A 62 76.300 20.897 10.261 1.00 16.97 C +ATOM 469 C LEU A 62 76.535 19.367 10.080 1.00 18.19 C +ATOM 470 O LEU A 62 77.043 18.682 10.986 1.00 17.35 O +ATOM 471 CB LEU A 62 77.615 21.637 10.543 1.00 15.13 C +ATOM 472 CG LEU A 62 77.479 23.155 10.388 1.00 14.09 C +ATOM 473 CD1 LEU A 62 78.702 23.897 10.904 1.00 11.94 C +ATOM 474 CD2 LEU A 62 77.228 23.461 8.924 1.00 13.82 C +ATOM 475 N LYS A 63 76.151 18.864 8.901 1.00 18.91 N +ATOM 476 CA LYS A 63 76.240 17.452 8.536 1.00 19.56 C +ATOM 477 C LYS A 63 77.392 17.089 7.599 1.00 21.08 C +ATOM 478 O LYS A 63 77.954 15.993 7.718 1.00 22.90 O +ATOM 479 CB LYS A 63 74.927 16.990 7.899 1.00 20.19 C +ATOM 480 CG LYS A 63 73.662 17.219 8.748 1.00 22.71 C +ATOM 481 CD LYS A 63 72.380 17.171 7.878 1.00 22.48 C +ATOM 482 CE LYS A 63 71.079 17.480 8.672 1.00 22.09 C +ATOM 483 NZ LYS A 63 70.941 18.884 9.210 1.00 20.81 N +ATOM 484 N THR A 64 77.720 17.941 6.627 1.00 20.75 N +ATOM 485 CA THR A 64 78.823 17.604 5.726 1.00 20.62 C +ATOM 486 C THR A 64 79.801 18.734 5.595 1.00 22.06 C +ATOM 487 O THR A 64 79.440 19.887 5.821 1.00 23.52 O +ATOM 488 CB THR A 64 78.377 17.275 4.279 1.00 19.80 C +ATOM 489 OG1 THR A 64 78.248 18.479 3.515 1.00 17.35 O +ATOM 490 CG2 THR A 64 77.072 16.516 4.263 1.00 22.36 C +ATOM 491 N PRO A 65 81.069 18.421 5.251 1.00 22.50 N +ATOM 492 CA PRO A 65 82.057 19.484 5.093 1.00 21.75 C +ATOM 493 C PRO A 65 81.612 20.167 3.805 1.00 20.83 C +ATOM 494 O PRO A 65 80.933 19.538 2.994 1.00 20.60 O +ATOM 495 CB PRO A 65 83.360 18.707 4.884 1.00 21.76 C +ATOM 496 CG PRO A 65 83.103 17.387 5.513 1.00 22.79 C +ATOM 497 CD PRO A 65 81.705 17.107 5.060 1.00 22.19 C +ATOM 498 N MET A 66 81.924 21.447 3.637 1.00 19.77 N +ATOM 499 CA MET A 66 81.518 22.157 2.436 1.00 18.47 C +ATOM 500 C MET A 66 82.615 23.081 1.954 1.00 19.94 C +ATOM 501 O MET A 66 83.499 23.462 2.726 1.00 20.32 O +ATOM 502 CB MET A 66 80.262 22.969 2.699 1.00 15.21 C +ATOM 503 CG MET A 66 79.123 22.170 3.225 1.00 13.32 C +ATOM 504 SD MET A 66 77.601 23.105 3.193 1.00 17.14 S +ATOM 505 CE MET A 66 77.046 22.813 4.861 1.00 17.19 C +ATOM 506 N ILE A 67 82.566 23.426 0.674 1.00 20.92 N +ATOM 507 CA ILE A 67 83.542 24.325 0.075 1.00 22.75 C +ATOM 508 C ILE A 67 82.807 25.263 -0.880 1.00 24.98 C +ATOM 509 O ILE A 67 81.846 24.858 -1.553 1.00 23.89 O +ATOM 510 CB ILE A 67 84.665 23.528 -0.701 1.00 21.73 C +ATOM 511 CG1 ILE A 67 85.613 22.838 0.284 1.00 22.32 C +ATOM 512 CG2 ILE A 67 85.466 24.444 -1.621 1.00 18.10 C +ATOM 513 CD1 ILE A 67 86.623 21.897 -0.367 1.00 21.62 C +ATOM 514 N ARG A 68 83.217 26.526 -0.896 1.00 27.72 N +ATOM 515 CA ARG A 68 82.625 27.500 -1.800 1.00 31.69 C +ATOM 516 C ARG A 68 83.746 27.872 -2.772 1.00 35.16 C +ATOM 517 O ARG A 68 84.558 28.753 -2.479 1.00 37.45 O +ATOM 518 CB ARG A 68 82.155 28.739 -1.048 1.00 28.80 C +ATOM 519 CG ARG A 68 81.121 29.504 -1.854 1.00 29.04 C +ATOM 520 CD ARG A 68 80.937 30.941 -1.411 1.00 25.72 C +ATOM 521 NE ARG A 68 80.789 31.028 0.034 1.00 24.29 N +ATOM 522 CZ ARG A 68 79.643 30.872 0.681 1.00 23.19 C +ATOM 523 NH1 ARG A 68 78.522 30.616 0.016 1.00 23.94 N +ATOM 524 NH2 ARG A 68 79.619 31.008 1.994 1.00 22.30 N +ATOM 525 N ARG A 69 83.814 27.180 -3.909 1.00 38.09 N +ATOM 526 CA ARG A 69 84.871 27.416 -4.900 1.00 40.20 C +ATOM 527 C ARG A 69 84.841 28.747 -5.648 1.00 41.56 C +ATOM 528 O ARG A 69 85.853 29.169 -6.211 1.00 42.49 O +ATOM 529 CB ARG A 69 84.950 26.253 -5.894 1.00 40.89 C +ATOM 530 CG ARG A 69 85.540 24.979 -5.311 1.00 42.09 C +ATOM 531 CD ARG A 69 85.705 23.904 -6.381 1.00 43.51 C +ATOM 532 NE ARG A 69 86.248 22.653 -5.849 1.00 44.18 N +ATOM 533 CZ ARG A 69 87.502 22.491 -5.426 1.00 44.60 C +ATOM 534 NH1 ARG A 69 88.367 23.495 -5.462 1.00 43.65 N +ATOM 535 NH2 ARG A 69 87.898 21.308 -4.975 1.00 46.14 N +ATOM 536 N GLN A 70 83.689 29.403 -5.673 1.00 42.99 N +ATOM 537 CA GLN A 70 83.574 30.695 -6.344 1.00 44.57 C +ATOM 538 C GLN A 70 83.028 31.704 -5.330 1.00 45.42 C +ATOM 539 O GLN A 70 82.015 31.451 -4.669 1.00 46.65 O +ATOM 540 CB GLN A 70 82.617 30.589 -7.538 1.00 45.60 C +ATOM 541 CG GLN A 70 82.490 31.882 -8.350 1.00 47.50 C +ATOM 542 CD GLN A 70 81.197 31.957 -9.169 1.00 48.45 C +ATOM 543 OE1 GLN A 70 80.159 32.402 -8.670 1.00 48.64 O +ATOM 544 NE2 GLN A 70 81.267 31.551 -10.435 1.00 48.14 N +ATOM 545 N ARG A 71 83.679 32.850 -5.192 1.00 45.07 N +ATOM 546 CA ARG A 71 83.200 33.853 -4.258 1.00 45.37 C +ATOM 547 C ARG A 71 81.762 34.269 -4.591 1.00 46.45 C +ATOM 548 O ARG A 71 81.004 34.681 -3.708 1.00 46.99 O +ATOM 549 CB ARG A 71 84.121 35.073 -4.236 1.00 44.92 C +ATOM 550 CG ARG A 71 85.343 34.921 -3.326 1.00 43.34 C +ATOM 551 CD ARG A 71 84.957 34.902 -1.857 1.00 40.33 C +ATOM 552 NE ARG A 71 86.095 34.625 -0.982 1.00 37.34 N +ATOM 553 CZ ARG A 71 86.272 35.187 0.209 1.00 35.90 C +ATOM 554 NH1 ARG A 71 85.403 36.059 0.678 1.00 35.35 N +ATOM 555 NH2 ARG A 71 87.294 34.832 0.957 1.00 36.16 N +ATOM 556 N GLY A 72 81.393 34.134 -5.865 1.00 46.51 N +ATOM 557 CA GLY A 72 80.050 34.482 -6.296 1.00 46.64 C +ATOM 558 C GLY A 72 78.978 33.734 -5.513 1.00 47.16 C +ATOM 559 O GLY A 72 77.791 34.061 -5.593 1.00 47.54 O +ATOM 560 N GLY A 73 79.397 32.681 -4.811 1.00 46.82 N +ATOM 561 CA GLY A 73 78.456 31.932 -4.002 1.00 45.82 C +ATOM 562 C GLY A 73 78.377 30.452 -4.290 1.00 44.29 C +ATOM 563 O GLY A 73 79.042 29.942 -5.201 1.00 43.88 O +ATOM 564 N LYS A 74 77.534 29.793 -3.494 1.00 42.70 N +ATOM 565 CA LYS A 74 77.253 28.359 -3.543 1.00 41.71 C +ATOM 566 C LYS A 74 78.214 27.501 -2.702 1.00 39.73 C +ATOM 567 O LYS A 74 79.307 27.115 -3.124 1.00 39.36 O +ATOM 568 CB LYS A 74 77.151 27.837 -4.983 1.00 43.62 C +ATOM 569 CG LYS A 74 76.457 26.483 -5.098 1.00 45.67 C +ATOM 570 CD LYS A 74 77.129 25.614 -6.149 1.00 48.76 C +ATOM 571 CE LYS A 74 77.071 26.242 -7.537 1.00 51.74 C +ATOM 572 NZ LYS A 74 75.669 26.336 -8.097 1.00 54.68 N +ATOM 573 N LEU A 75 77.763 27.202 -1.494 1.00 37.19 N +ATOM 574 CA LEU A 75 78.505 26.393 -0.548 1.00 34.77 C +ATOM 575 C LEU A 75 78.007 24.941 -0.730 1.00 32.88 C +ATOM 576 O LEU A 75 77.001 24.546 -0.143 1.00 32.91 O +ATOM 577 CB LEU A 75 78.206 26.950 0.858 1.00 34.46 C +ATOM 578 CG LEU A 75 79.023 26.798 2.149 1.00 33.18 C +ATOM 579 CD1 LEU A 75 80.511 26.800 1.896 1.00 32.11 C +ATOM 580 CD2 LEU A 75 78.634 27.941 3.072 1.00 31.88 C +ATOM 581 N GLU A 76 78.672 24.190 -1.612 1.00 31.56 N +ATOM 582 CA GLU A 76 78.325 22.783 -1.910 1.00 29.62 C +ATOM 583 C GLU A 76 79.081 21.781 -1.059 1.00 25.97 C +ATOM 584 O GLU A 76 80.261 21.949 -0.789 1.00 25.72 O +ATOM 585 CB GLU A 76 78.594 22.436 -3.387 1.00 31.66 C +ATOM 586 CG GLU A 76 77.503 22.877 -4.378 1.00 35.77 C +ATOM 587 CD GLU A 76 76.223 22.013 -4.322 1.00 38.08 C +ATOM 588 OE1 GLU A 76 76.297 20.778 -4.557 1.00 39.47 O +ATOM 589 OE2 GLU A 76 75.138 22.581 -4.069 1.00 37.96 O +ATOM 590 N PRO A 77 78.404 20.717 -0.625 1.00 23.90 N +ATOM 591 CA PRO A 77 78.998 19.664 0.200 1.00 21.70 C +ATOM 592 C PRO A 77 80.189 19.040 -0.484 1.00 20.84 C +ATOM 593 O PRO A 77 80.256 18.956 -1.709 1.00 23.02 O +ATOM 594 CB PRO A 77 77.863 18.676 0.366 1.00 20.67 C +ATOM 595 CG PRO A 77 76.982 18.954 -0.817 1.00 22.50 C +ATOM 596 CD PRO A 77 76.987 20.440 -0.867 1.00 22.85 C +ATOM 597 N VAL A 78 81.118 18.562 0.324 1.00 19.50 N +ATOM 598 CA VAL A 78 82.345 17.990 -0.168 1.00 15.46 C +ATOM 599 C VAL A 78 82.812 17.020 0.898 1.00 14.34 C +ATOM 600 O VAL A 78 82.499 17.198 2.069 1.00 13.52 O +ATOM 601 CB VAL A 78 83.341 19.132 -0.369 1.00 14.58 C +ATOM 602 CG1 VAL A 78 84.689 18.796 0.187 1.00 15.54 C +ATOM 603 CG2 VAL A 78 83.406 19.498 -1.822 1.00 14.16 C +ATOM 604 N SER A 79 83.545 15.991 0.488 1.00 14.76 N +ATOM 605 CA SER A 79 84.052 14.977 1.410 1.00 14.58 C +ATOM 606 C SER A 79 85.153 15.489 2.314 1.00 14.87 C +ATOM 607 O SER A 79 85.735 16.549 2.084 1.00 14.60 O +ATOM 608 CB SER A 79 84.604 13.799 0.626 1.00 15.79 C +ATOM 609 OG SER A 79 85.740 14.196 -0.126 1.00 18.32 O +ATOM 610 N TRP A 80 85.503 14.683 3.300 1.00 16.06 N +ATOM 611 CA TRP A 80 86.557 15.074 4.204 1.00 18.76 C +ATOM 612 C TRP A 80 87.877 15.218 3.481 1.00 19.73 C +ATOM 613 O TRP A 80 88.502 16.251 3.557 1.00 21.37 O +ATOM 614 CB TRP A 80 86.661 14.113 5.387 1.00 20.74 C +ATOM 615 CG TRP A 80 85.664 14.438 6.482 1.00 21.38 C +ATOM 616 CD1 TRP A 80 84.535 13.736 6.818 1.00 21.60 C +ATOM 617 CD2 TRP A 80 85.712 15.560 7.359 1.00 21.79 C +ATOM 618 NE1 TRP A 80 83.883 14.357 7.849 1.00 20.97 N +ATOM 619 CE2 TRP A 80 84.580 15.482 8.197 1.00 21.50 C +ATOM 620 CE3 TRP A 80 86.605 16.631 7.514 1.00 21.80 C +ATOM 621 CZ2 TRP A 80 84.319 16.424 9.176 1.00 22.89 C +ATOM 622 CZ3 TRP A 80 86.354 17.562 8.483 1.00 21.94 C +ATOM 623 CH2 TRP A 80 85.214 17.459 9.303 1.00 24.30 C +ATOM 624 N ASP A 81 88.255 14.235 2.687 1.00 22.63 N +ATOM 625 CA ASP A 81 89.519 14.321 1.963 1.00 22.85 C +ATOM 626 C ASP A 81 89.602 15.636 1.220 1.00 21.74 C +ATOM 627 O ASP A 81 90.547 16.391 1.409 1.00 22.47 O +ATOM 628 CB ASP A 81 89.658 13.172 0.958 1.00 25.76 C +ATOM 629 CG ASP A 81 91.100 12.942 0.531 1.00 29.56 C +ATOM 630 OD1 ASP A 81 91.808 12.218 1.267 1.00 32.61 O +ATOM 631 OD2 ASP A 81 91.529 13.477 -0.524 1.00 30.31 O +ATOM 632 N GLU A 82 88.577 15.943 0.432 1.00 21.59 N +ATOM 633 CA GLU A 82 88.579 17.173 -0.363 1.00 21.82 C +ATOM 634 C GLU A 82 88.650 18.426 0.467 1.00 21.21 C +ATOM 635 O GLU A 82 89.315 19.380 0.081 1.00 21.60 O +ATOM 636 CB GLU A 82 87.366 17.264 -1.291 1.00 22.24 C +ATOM 637 CG GLU A 82 87.441 18.477 -2.237 1.00 23.05 C +ATOM 638 CD GLU A 82 86.240 18.605 -3.167 1.00 23.60 C +ATOM 639 OE1 GLU A 82 85.534 17.596 -3.380 1.00 24.18 O +ATOM 640 OE2 GLU A 82 85.985 19.723 -3.672 1.00 23.61 O +ATOM 641 N ALA A 83 87.948 18.439 1.594 1.00 20.69 N +ATOM 642 CA ALA A 83 87.961 19.614 2.441 1.00 19.21 C +ATOM 643 C ALA A 83 89.315 19.705 3.124 1.00 17.99 C +ATOM 644 O ALA A 83 90.028 20.701 2.994 1.00 19.56 O +ATOM 645 CB ALA A 83 86.848 19.542 3.462 1.00 18.70 C +ATOM 646 N LEU A 84 89.717 18.618 3.758 1.00 15.43 N +ATOM 647 CA LEU A 84 90.968 18.583 4.489 1.00 13.78 C +ATOM 648 C LEU A 84 92.237 18.847 3.677 1.00 14.38 C +ATOM 649 O LEU A 84 93.192 19.409 4.200 1.00 15.12 O +ATOM 650 CB LEU A 84 91.047 17.309 5.333 1.00 9.83 C +ATOM 651 CG LEU A 84 89.988 17.244 6.446 1.00 4.61 C +ATOM 652 CD1 LEU A 84 89.983 15.883 7.037 1.00 5.06 C +ATOM 653 CD2 LEU A 84 90.214 18.279 7.513 1.00 2.73 C +ATOM 654 N ASN A 85 92.245 18.467 2.406 1.00 16.28 N +ATOM 655 CA ASN A 85 93.399 18.720 1.534 1.00 17.63 C +ATOM 656 C ASN A 85 93.325 20.179 1.067 1.00 16.61 C +ATOM 657 O ASN A 85 94.336 20.848 0.867 1.00 15.41 O +ATOM 658 CB ASN A 85 93.388 17.764 0.315 1.00 19.08 C +ATOM 659 CG ASN A 85 94.328 18.217 -0.820 1.00 20.67 C +ATOM 660 OD1 ASN A 85 93.888 18.627 -1.891 1.00 22.11 O +ATOM 661 ND2 ASN A 85 95.616 18.139 -0.581 1.00 24.67 N +ATOM 662 N TYR A 86 92.106 20.669 0.912 1.00 17.71 N +ATOM 663 CA TYR A 86 91.894 22.035 0.452 1.00 18.55 C +ATOM 664 C TYR A 86 92.435 23.007 1.481 1.00 18.11 C +ATOM 665 O TYR A 86 93.127 23.948 1.138 1.00 17.76 O +ATOM 666 CB TYR A 86 90.419 22.289 0.195 1.00 17.87 C +ATOM 667 CG TYR A 86 90.183 23.550 -0.562 1.00 20.13 C +ATOM 668 CD1 TYR A 86 90.116 24.767 0.096 1.00 22.86 C +ATOM 669 CD2 TYR A 86 90.007 23.532 -1.937 1.00 20.54 C +ATOM 670 CE1 TYR A 86 89.882 25.938 -0.597 1.00 24.63 C +ATOM 671 CE2 TYR A 86 89.765 24.688 -2.636 1.00 21.49 C +ATOM 672 CZ TYR A 86 89.707 25.892 -1.963 1.00 24.11 C +ATOM 673 OH TYR A 86 89.501 27.065 -2.644 1.00 26.09 O +ATOM 674 N VAL A 87 92.085 22.785 2.742 1.00 18.10 N +ATOM 675 CA VAL A 87 92.589 23.609 3.828 1.00 16.46 C +ATOM 676 C VAL A 87 94.115 23.434 3.919 1.00 16.21 C +ATOM 677 O VAL A 87 94.859 24.392 3.778 1.00 16.88 O +ATOM 678 CB VAL A 87 91.961 23.204 5.154 1.00 14.99 C +ATOM 679 CG1 VAL A 87 92.603 23.961 6.297 1.00 13.36 C +ATOM 680 CG2 VAL A 87 90.453 23.426 5.095 1.00 14.49 C +ATOM 681 N ALA A 88 94.579 22.203 4.074 1.00 15.68 N +ATOM 682 CA ALA A 88 96.012 21.938 4.185 1.00 16.57 C +ATOM 683 C ALA A 88 96.837 22.575 3.067 1.00 17.07 C +ATOM 684 O ALA A 88 97.895 23.151 3.313 1.00 15.86 O +ATOM 685 CB ALA A 88 96.263 20.435 4.254 1.00 16.34 C +ATOM 686 N GLU A 89 96.306 22.496 1.850 1.00 19.78 N +ATOM 687 CA GLU A 89 96.923 23.051 0.639 1.00 20.54 C +ATOM 688 C GLU A 89 96.941 24.585 0.746 1.00 18.80 C +ATOM 689 O GLU A 89 97.998 25.196 0.727 1.00 16.66 O +ATOM 690 CB GLU A 89 96.095 22.618 -0.597 1.00 23.73 C +ATOM 691 CG GLU A 89 96.878 22.389 -1.916 1.00 29.60 C +ATOM 692 CD GLU A 89 96.777 20.927 -2.410 1.00 33.52 C +ATOM 693 OE1 GLU A 89 95.745 20.583 -3.048 1.00 32.76 O +ATOM 694 OE2 GLU A 89 97.720 20.126 -2.143 1.00 33.37 O +ATOM 695 N ARG A 90 95.756 25.173 0.918 1.00 18.47 N +ATOM 696 CA ARG A 90 95.569 26.607 1.022 1.00 17.75 C +ATOM 697 C ARG A 90 96.420 27.258 2.084 1.00 18.04 C +ATOM 698 O ARG A 90 97.078 28.267 1.807 1.00 18.89 O +ATOM 699 CB ARG A 90 94.109 26.943 1.292 1.00 19.08 C +ATOM 700 CG ARG A 90 93.196 26.640 0.159 1.00 22.72 C +ATOM 701 CD ARG A 90 93.726 27.212 -1.118 1.00 26.58 C +ATOM 702 NE ARG A 90 92.869 26.878 -2.251 1.00 32.64 N +ATOM 703 CZ ARG A 90 92.747 25.658 -2.770 1.00 34.69 C +ATOM 704 NH1 ARG A 90 93.417 24.636 -2.252 1.00 36.91 N +ATOM 705 NH2 ARG A 90 92.016 25.475 -3.861 1.00 33.99 N +ATOM 706 N LEU A 91 96.359 26.726 3.306 1.00 17.01 N +ATOM 707 CA LEU A 91 97.139 27.257 4.420 1.00 14.91 C +ATOM 708 C LEU A 91 98.624 27.136 4.119 1.00 15.21 C +ATOM 709 O LEU A 91 99.357 28.112 4.265 1.00 15.92 O +ATOM 710 CB LEU A 91 96.822 26.539 5.735 1.00 11.61 C +ATOM 711 CG LEU A 91 95.444 26.677 6.388 1.00 8.89 C +ATOM 712 CD1 LEU A 91 95.521 25.961 7.716 1.00 7.72 C +ATOM 713 CD2 LEU A 91 95.030 28.131 6.597 1.00 5.23 C +ATOM 714 N SER A 92 99.066 25.964 3.661 1.00 15.78 N +ATOM 715 CA SER A 92 100.488 25.770 3.342 1.00 16.29 C +ATOM 716 C SER A 92 100.930 26.776 2.299 1.00 16.66 C +ATOM 717 O SER A 92 101.969 27.423 2.450 1.00 17.65 O +ATOM 718 CB SER A 92 100.770 24.356 2.823 1.00 14.74 C +ATOM 719 OG SER A 92 101.443 23.564 3.798 1.00 16.41 O +ATOM 720 N ALA A 93 100.117 26.911 1.260 1.00 16.76 N +ATOM 721 CA ALA A 93 100.368 27.824 0.164 1.00 17.35 C +ATOM 722 C ALA A 93 100.498 29.241 0.699 1.00 19.42 C +ATOM 723 O ALA A 93 101.514 29.899 0.479 1.00 21.20 O +ATOM 724 CB ALA A 93 99.239 27.740 -0.851 1.00 16.38 C +ATOM 725 N ILE A 94 99.490 29.706 1.427 1.00 20.59 N +ATOM 726 CA ILE A 94 99.522 31.047 1.989 1.00 21.36 C +ATOM 727 C ILE A 94 100.669 31.223 2.982 1.00 23.24 C +ATOM 728 O ILE A 94 101.274 32.291 3.063 1.00 26.13 O +ATOM 729 CB ILE A 94 98.185 31.395 2.650 1.00 19.84 C +ATOM 730 CG1 ILE A 94 97.156 31.681 1.561 1.00 22.43 C +ATOM 731 CG2 ILE A 94 98.325 32.598 3.530 1.00 21.42 C +ATOM 732 CD1 ILE A 94 95.726 31.822 2.045 1.00 22.96 C +ATOM 733 N LYS A 95 101.022 30.168 3.693 1.00 22.89 N +ATOM 734 CA LYS A 95 102.099 30.273 4.656 1.00 23.98 C +ATOM 735 C LYS A 95 103.434 30.503 3.966 1.00 26.05 C +ATOM 736 O LYS A 95 104.284 31.211 4.468 1.00 25.90 O +ATOM 737 CB LYS A 95 102.178 28.998 5.508 1.00 22.29 C +ATOM 738 CG LYS A 95 103.466 28.863 6.312 1.00 17.79 C +ATOM 739 CD LYS A 95 103.489 27.619 7.154 1.00 13.87 C +ATOM 740 CE LYS A 95 104.870 27.414 7.673 1.00 11.39 C +ATOM 741 NZ LYS A 95 104.918 26.319 8.659 1.00 13.24 N +ATOM 742 N GLU A 96 103.628 29.868 2.826 1.00 29.95 N +ATOM 743 CA GLU A 96 104.893 30.003 2.127 1.00 33.80 C +ATOM 744 C GLU A 96 104.979 31.372 1.501 1.00 33.61 C +ATOM 745 O GLU A 96 105.905 32.128 1.769 1.00 37.23 O +ATOM 746 CB GLU A 96 105.036 28.931 1.041 1.00 37.35 C +ATOM 747 CG GLU A 96 105.110 27.492 1.580 1.00 44.27 C +ATOM 748 CD GLU A 96 106.541 27.022 1.837 1.00 48.56 C +ATOM 749 OE1 GLU A 96 107.050 27.253 2.964 1.00 49.98 O +ATOM 750 OE2 GLU A 96 107.151 26.426 0.905 1.00 50.00 O +ATOM 751 N LYS A 97 103.959 31.725 0.738 1.00 30.92 N +ATOM 752 CA LYS A 97 103.955 32.987 0.040 1.00 28.36 C +ATOM 753 C LYS A 97 103.987 34.213 0.937 1.00 28.66 C +ATOM 754 O LYS A 97 104.618 35.213 0.577 1.00 31.22 O +ATOM 755 CB LYS A 97 102.765 33.031 -0.906 1.00 28.37 C +ATOM 756 CG LYS A 97 102.718 34.221 -1.817 1.00 29.48 C +ATOM 757 CD LYS A 97 101.734 33.980 -2.917 1.00 31.71 C +ATOM 758 CE LYS A 97 102.434 33.598 -4.230 1.00 35.24 C +ATOM 759 NZ LYS A 97 103.324 32.383 -4.235 1.00 34.45 N +ATOM 760 N TYR A 98 103.383 34.146 2.120 1.00 25.75 N +ATOM 761 CA TYR A 98 103.368 35.317 2.987 1.00 21.95 C +ATOM 762 C TYR A 98 103.856 35.165 4.438 1.00 19.62 C +ATOM 763 O TYR A 98 103.804 36.109 5.219 1.00 18.98 O +ATOM 764 CB TYR A 98 101.974 35.882 3.001 1.00 23.82 C +ATOM 765 CG TYR A 98 101.354 35.967 1.648 1.00 27.41 C +ATOM 766 CD1 TYR A 98 101.696 36.982 0.766 1.00 29.27 C +ATOM 767 CD2 TYR A 98 100.396 35.052 1.251 1.00 29.96 C +ATOM 768 CE1 TYR A 98 101.089 37.085 -0.486 1.00 31.07 C +ATOM 769 CE2 TYR A 98 99.783 35.141 0.002 1.00 31.73 C +ATOM 770 CZ TYR A 98 100.134 36.157 -0.857 1.00 31.78 C +ATOM 771 OH TYR A 98 99.534 36.230 -2.092 1.00 33.46 O +ATOM 772 N GLY A 99 104.341 33.987 4.791 1.00 17.24 N +ATOM 773 CA GLY A 99 104.815 33.769 6.146 1.00 15.44 C +ATOM 774 C GLY A 99 103.702 33.246 7.024 1.00 14.64 C +ATOM 775 O GLY A 99 102.528 33.530 6.762 1.00 15.03 O +ATOM 776 N PRO A 100 104.033 32.511 8.100 1.00 13.22 N +ATOM 777 CA PRO A 100 103.041 31.956 9.019 1.00 12.63 C +ATOM 778 C PRO A 100 102.042 32.930 9.630 1.00 11.52 C +ATOM 779 O PRO A 100 100.896 32.582 9.785 1.00 13.70 O +ATOM 780 CB PRO A 100 103.901 31.226 10.067 1.00 11.49 C +ATOM 781 CG PRO A 100 105.231 31.871 9.975 1.00 11.36 C +ATOM 782 CD PRO A 100 105.375 32.044 8.475 1.00 13.33 C +ATOM 783 N ASP A 101 102.451 34.156 9.917 1.00 11.79 N +ATOM 784 CA ASP A 101 101.557 35.167 10.509 1.00 10.69 C +ATOM 785 C ASP A 101 100.431 35.650 9.613 1.00 10.79 C +ATOM 786 O ASP A 101 99.626 36.484 10.034 1.00 11.72 O +ATOM 787 CB ASP A 101 102.323 36.409 10.937 1.00 10.42 C +ATOM 788 CG ASP A 101 103.188 36.181 12.148 1.00 10.85 C +ATOM 789 OD1 ASP A 101 103.510 35.017 12.460 1.00 8.84 O +ATOM 790 OD2 ASP A 101 103.562 37.197 12.774 1.00 14.05 O +ATOM 791 N ALA A 102 100.400 35.210 8.360 1.00 9.46 N +ATOM 792 CA ALA A 102 99.323 35.631 7.482 1.00 7.69 C +ATOM 793 C ALA A 102 98.065 34.831 7.791 1.00 7.73 C +ATOM 794 O ALA A 102 97.039 35.061 7.173 1.00 7.40 O +ATOM 795 CB ALA A 102 99.710 35.420 6.068 1.00 8.68 C +ATOM 796 N ILE A 103 98.163 33.873 8.719 1.00 7.63 N +ATOM 797 CA ILE A 103 97.053 32.998 9.119 1.00 7.20 C +ATOM 798 C ILE A 103 96.660 33.299 10.555 1.00 8.32 C +ATOM 799 O ILE A 103 97.539 33.471 11.391 1.00 9.25 O +ATOM 800 CB ILE A 103 97.478 31.533 9.067 1.00 5.34 C +ATOM 801 CG1 ILE A 103 97.666 31.103 7.619 1.00 5.62 C +ATOM 802 CG2 ILE A 103 96.502 30.657 9.811 1.00 3.79 C +ATOM 803 CD1 ILE A 103 99.038 30.547 7.362 1.00 7.09 C +ATOM 804 N GLN A 104 95.355 33.360 10.841 1.00 7.14 N +ATOM 805 CA GLN A 104 94.879 33.636 12.187 1.00 6.92 C +ATOM 806 C GLN A 104 93.976 32.482 12.579 1.00 7.22 C +ATOM 807 O GLN A 104 93.143 32.080 11.776 1.00 8.70 O +ATOM 808 CB GLN A 104 94.072 34.934 12.197 1.00 8.55 C +ATOM 809 CG GLN A 104 93.316 35.234 13.508 1.00 9.03 C +ATOM 810 CD GLN A 104 94.238 35.621 14.653 1.00 8.09 C +ATOM 811 OE1 GLN A 104 95.207 36.327 14.454 1.00 12.51 O +ATOM 812 NE2 GLN A 104 93.934 35.166 15.845 1.00 7.05 N +ATOM 813 N THR A 105 94.132 31.958 13.797 1.00 5.04 N +ATOM 814 CA THR A 105 93.326 30.849 14.277 1.00 4.79 C +ATOM 815 C THR A 105 92.652 31.277 15.587 1.00 7.05 C +ATOM 816 O THR A 105 93.084 32.254 16.206 1.00 6.59 O +ATOM 817 CB THR A 105 94.193 29.558 14.524 1.00 4.59 C +ATOM 818 OG1 THR A 105 95.060 29.727 15.658 1.00 2.00 O +ATOM 819 CG2 THR A 105 95.048 29.237 13.298 1.00 4.72 C +ATOM 820 N THR A 106 91.555 30.619 15.970 1.00 6.98 N +ATOM 821 CA THR A 106 90.899 30.956 17.224 1.00 9.02 C +ATOM 822 C THR A 106 90.622 29.649 17.936 1.00 10.21 C +ATOM 823 O THR A 106 90.561 28.608 17.297 1.00 11.73 O +ATOM 824 CB THR A 106 89.535 31.691 17.042 1.00 9.82 C +ATOM 825 OG1 THR A 106 88.503 30.744 16.734 1.00 10.13 O +ATOM 826 CG2 THR A 106 89.607 32.718 15.923 1.00 11.71 C +ATOM 827 N GLY A 107 90.563 29.693 19.263 1.00 10.03 N +ATOM 828 CA GLY A 107 90.227 28.508 20.018 1.00 9.25 C +ATOM 829 C GLY A 107 88.719 28.621 20.205 1.00 9.84 C +ATOM 830 O GLY A 107 88.062 29.390 19.495 1.00 9.20 O +ATOM 831 N SER A 108 88.153 27.874 21.146 1.00 10.71 N +ATOM 832 CA SER A 108 86.715 27.937 21.403 1.00 10.57 C +ATOM 833 C SER A 108 86.431 27.641 22.872 1.00 11.02 C +ATOM 834 O SER A 108 86.894 26.654 23.441 1.00 11.29 O +ATOM 835 CB SER A 108 85.937 26.981 20.494 1.00 10.03 C +ATOM 836 OG SER A 108 84.542 27.165 20.666 1.00 9.79 O +ATOM 837 N SER A 109 85.682 28.528 23.489 1.00 12.53 N +ATOM 838 CA SER A 109 85.341 28.399 24.884 1.00 15.34 C +ATOM 839 C SER A 109 84.069 27.605 25.152 1.00 16.79 C +ATOM 840 O SER A 109 83.606 27.589 26.296 1.00 17.42 O +ATOM 841 CB SER A 109 85.181 29.788 25.457 1.00 16.20 C +ATOM 842 OG SER A 109 86.128 30.653 24.862 1.00 19.07 O +ATOM 843 N ARG A 110 83.474 26.996 24.118 1.00 16.85 N +ATOM 844 CA ARG A 110 82.248 26.222 24.321 1.00 17.04 C +ATOM 845 C ARG A 110 82.444 24.725 24.436 1.00 17.08 C +ATOM 846 O ARG A 110 83.478 24.276 24.924 1.00 19.93 O +ATOM 847 CB ARG A 110 81.190 26.564 23.286 1.00 15.32 C +ATOM 848 CG ARG A 110 80.830 28.033 23.303 1.00 16.74 C +ATOM 849 CD ARG A 110 80.354 28.522 24.661 1.00 15.46 C +ATOM 850 NE ARG A 110 78.938 28.840 24.610 1.00 17.98 N +ATOM 851 CZ ARG A 110 77.970 27.928 24.641 1.00 19.46 C +ATOM 852 NH1 ARG A 110 78.256 26.644 24.742 1.00 21.83 N +ATOM 853 NH2 ARG A 110 76.713 28.283 24.469 1.00 21.23 N +ATOM 854 N GLY A 111 81.475 23.950 23.973 1.00 15.71 N +ATOM 855 CA GLY A 111 81.561 22.505 24.086 1.00 15.06 C +ATOM 856 C GLY A 111 82.799 21.669 23.743 1.00 14.50 C +ATOM 857 O GLY A 111 82.781 20.483 24.048 1.00 16.34 O +ATOM 858 N THR A 112 83.853 22.206 23.132 1.00 13.42 N +ATOM 859 CA THR A 112 85.011 21.367 22.783 1.00 12.22 C +ATOM 860 C THR A 112 85.831 20.781 23.910 1.00 12.28 C +ATOM 861 O THR A 112 86.222 19.619 23.863 1.00 12.90 O +ATOM 862 CB THR A 112 86.020 22.051 21.865 1.00 13.08 C +ATOM 863 OG1 THR A 112 85.861 23.481 21.885 1.00 15.49 O +ATOM 864 CG2 THR A 112 85.905 21.513 20.502 1.00 7.69 C +ATOM 865 N GLY A 113 86.136 21.582 24.908 1.00 11.49 N +ATOM 866 CA GLY A 113 86.933 21.070 25.993 1.00 10.63 C +ATOM 867 C GLY A 113 88.280 21.742 25.932 1.00 12.01 C +ATOM 868 O GLY A 113 88.593 22.486 24.992 1.00 12.02 O +ATOM 869 N ASN A 114 89.068 21.501 26.969 1.00 12.55 N +ATOM 870 CA ASN A 114 90.401 22.047 27.093 1.00 10.97 C +ATOM 871 C ASN A 114 91.354 21.367 26.148 1.00 12.80 C +ATOM 872 O ASN A 114 92.232 22.011 25.579 1.00 15.77 O +ATOM 873 CB ASN A 114 90.892 21.865 28.516 1.00 7.94 C +ATOM 874 CG ASN A 114 90.408 22.936 29.411 1.00 4.67 C +ATOM 875 OD1 ASN A 114 89.868 23.914 28.953 1.00 3.27 O +ATOM 876 ND2 ASN A 114 90.613 22.778 30.693 1.00 8.00 N +ATOM 877 N GLU A 115 91.144 20.076 25.933 1.00 13.44 N +ATOM 878 CA GLU A 115 92.005 19.283 25.052 1.00 14.31 C +ATOM 879 C GLU A 115 92.182 19.872 23.653 1.00 14.02 C +ATOM 880 O GLU A 115 93.311 19.990 23.154 1.00 14.75 O +ATOM 881 CB GLU A 115 91.489 17.843 24.938 1.00 13.99 C +ATOM 882 CG GLU A 115 91.585 17.021 26.231 1.00 14.40 C +ATOM 883 CD GLU A 115 90.485 17.307 27.226 1.00 14.61 C +ATOM 884 OE1 GLU A 115 89.570 18.082 26.923 1.00 17.30 O +ATOM 885 OE2 GLU A 115 90.523 16.760 28.337 1.00 16.42 O +ATOM 886 N THR A 116 91.082 20.306 23.048 1.00 13.32 N +ATOM 887 CA THR A 116 91.172 20.818 21.705 1.00 13.92 C +ATOM 888 C THR A 116 91.687 22.232 21.617 1.00 14.69 C +ATOM 889 O THR A 116 92.264 22.616 20.591 1.00 16.29 O +ATOM 890 CB THR A 116 89.884 20.573 20.879 1.00 14.93 C +ATOM 891 OG1 THR A 116 89.440 21.783 20.256 1.00 17.96 O +ATOM 892 CG2 THR A 116 88.794 20.003 21.728 1.00 15.50 C +ATOM 893 N ASN A 117 91.508 23.025 22.674 1.00 12.85 N +ATOM 894 CA ASN A 117 92.052 24.381 22.636 1.00 9.63 C +ATOM 895 C ASN A 117 93.603 24.227 22.637 1.00 9.33 C +ATOM 896 O ASN A 117 94.342 24.871 21.856 1.00 5.29 O +ATOM 897 CB ASN A 117 91.501 25.211 23.795 1.00 6.61 C +ATOM 898 CG ASN A 117 90.113 25.809 23.476 1.00 7.06 C +ATOM 899 OD1 ASN A 117 90.003 26.827 22.791 1.00 6.14 O +ATOM 900 ND2 ASN A 117 89.060 25.175 23.968 1.00 4.75 N +ATOM 901 N TYR A 118 94.060 23.253 23.420 1.00 10.56 N +ATOM 902 CA TYR A 118 95.471 22.929 23.510 1.00 10.82 C +ATOM 903 C TYR A 118 95.920 22.517 22.118 1.00 11.86 C +ATOM 904 O TYR A 118 96.880 23.063 21.591 1.00 13.93 O +ATOM 905 CB TYR A 118 95.724 21.796 24.510 1.00 8.60 C +ATOM 906 CG TYR A 118 97.141 21.263 24.424 1.00 9.40 C +ATOM 907 CD1 TYR A 118 98.219 21.984 24.944 1.00 7.34 C +ATOM 908 CD2 TYR A 118 97.414 20.070 23.744 1.00 9.86 C +ATOM 909 CE1 TYR A 118 99.529 21.527 24.780 1.00 7.10 C +ATOM 910 CE2 TYR A 118 98.717 19.612 23.571 1.00 7.79 C +ATOM 911 CZ TYR A 118 99.768 20.336 24.087 1.00 7.15 C +ATOM 912 OH TYR A 118 101.049 19.851 23.910 1.00 5.14 O +ATOM 913 N VAL A 119 95.234 21.560 21.513 1.00 12.94 N +ATOM 914 CA VAL A 119 95.606 21.137 20.160 1.00 14.95 C +ATOM 915 C VAL A 119 95.635 22.325 19.162 1.00 15.86 C +ATOM 916 O VAL A 119 96.545 22.423 18.327 1.00 17.16 O +ATOM 917 CB VAL A 119 94.628 20.058 19.606 1.00 16.02 C +ATOM 918 CG1 VAL A 119 94.940 19.757 18.146 1.00 15.43 C +ATOM 919 CG2 VAL A 119 94.682 18.776 20.448 1.00 15.00 C +ATOM 920 N MET A 120 94.671 23.242 19.258 1.00 15.49 N +ATOM 921 CA MET A 120 94.641 24.363 18.325 1.00 15.31 C +ATOM 922 C MET A 120 95.855 25.260 18.427 1.00 15.30 C +ATOM 923 O MET A 120 96.455 25.582 17.408 1.00 14.43 O +ATOM 924 CB MET A 120 93.365 25.189 18.453 1.00 15.35 C +ATOM 925 CG MET A 120 93.304 26.372 17.467 1.00 15.15 C +ATOM 926 SD MET A 120 93.368 25.949 15.699 1.00 14.37 S +ATOM 927 CE MET A 120 91.657 26.218 15.210 1.00 12.51 C +ATOM 928 N GLN A 121 96.240 25.648 19.642 1.00 15.67 N +ATOM 929 CA GLN A 121 97.410 26.499 19.779 1.00 15.96 C +ATOM 930 C GLN A 121 98.606 25.730 19.272 1.00 16.34 C +ATOM 931 O GLN A 121 99.374 26.245 18.481 1.00 18.25 O +ATOM 932 CB GLN A 121 97.611 26.997 21.219 1.00 18.45 C +ATOM 933 CG GLN A 121 97.845 25.958 22.301 1.00 20.38 C +ATOM 934 CD GLN A 121 99.320 25.674 22.577 1.00 21.93 C +ATOM 935 OE1 GLN A 121 100.222 26.416 22.150 1.00 22.30 O +ATOM 936 NE2 GLN A 121 99.572 24.591 23.305 1.00 20.54 N +ATOM 937 N LYS A 122 98.683 24.450 19.615 1.00 16.06 N +ATOM 938 CA LYS A 122 99.781 23.597 19.160 1.00 15.55 C +ATOM 939 C LYS A 122 99.954 23.604 17.637 1.00 15.82 C +ATOM 940 O LYS A 122 101.078 23.628 17.124 1.00 15.88 O +ATOM 941 CB LYS A 122 99.576 22.145 19.625 1.00 13.58 C +ATOM 942 CG LYS A 122 100.432 21.143 18.890 1.00 9.05 C +ATOM 943 CD LYS A 122 100.685 19.926 19.718 1.00 7.92 C +ATOM 944 CE LYS A 122 101.577 18.983 18.941 1.00 8.05 C +ATOM 945 NZ LYS A 122 101.857 17.705 19.653 1.00 7.90 N +ATOM 946 N PHE A 123 98.848 23.569 16.916 1.00 14.89 N +ATOM 947 CA PHE A 123 98.927 23.533 15.466 1.00 15.87 C +ATOM 948 C PHE A 123 99.361 24.885 14.899 1.00 16.36 C +ATOM 949 O PHE A 123 100.129 24.950 13.931 1.00 18.46 O +ATOM 950 CB PHE A 123 97.579 23.039 14.884 1.00 14.60 C +ATOM 951 CG PHE A 123 97.267 23.549 13.495 1.00 11.74 C +ATOM 952 CD1 PHE A 123 97.735 22.879 12.368 1.00 11.17 C +ATOM 953 CD2 PHE A 123 96.466 24.671 13.320 1.00 8.72 C +ATOM 954 CE1 PHE A 123 97.408 23.316 11.101 1.00 8.56 C +ATOM 955 CE2 PHE A 123 96.135 25.113 12.053 1.00 9.82 C +ATOM 956 CZ PHE A 123 96.607 24.435 10.940 1.00 8.57 C +ATOM 957 N ALA A 124 98.930 25.963 15.531 1.00 15.20 N +ATOM 958 CA ALA A 124 99.282 27.273 15.028 1.00 15.19 C +ATOM 959 C ALA A 124 100.782 27.502 15.210 1.00 15.47 C +ATOM 960 O ALA A 124 101.483 27.927 14.280 1.00 15.96 O +ATOM 961 CB ALA A 124 98.465 28.364 15.750 1.00 14.36 C +ATOM 962 N ARG A 125 101.283 27.124 16.380 1.00 14.69 N +ATOM 963 CA ARG A 125 102.684 27.323 16.736 1.00 13.58 C +ATOM 964 C ARG A 125 103.708 26.345 16.190 1.00 14.03 C +ATOM 965 O ARG A 125 104.800 26.754 15.811 1.00 15.17 O +ATOM 966 CB ARG A 125 102.803 27.425 18.248 1.00 10.72 C +ATOM 967 CG ARG A 125 102.319 28.762 18.763 1.00 9.91 C +ATOM 968 CD ARG A 125 101.729 28.639 20.127 1.00 9.04 C +ATOM 969 NE ARG A 125 101.444 29.944 20.699 1.00 9.78 N +ATOM 970 CZ ARG A 125 100.581 30.142 21.684 1.00 10.44 C +ATOM 971 NH1 ARG A 125 99.911 29.116 22.183 1.00 13.44 N +ATOM 972 NH2 ARG A 125 100.447 31.342 22.229 1.00 10.44 N +ATOM 973 N ALA A 126 103.364 25.060 16.178 1.00 13.74 N +ATOM 974 CA ALA A 126 104.250 24.017 15.699 1.00 10.55 C +ATOM 975 C ALA A 126 104.066 23.738 14.231 1.00 10.93 C +ATOM 976 O ALA A 126 105.035 23.466 13.534 1.00 13.25 O +ATOM 977 CB ALA A 126 104.031 22.767 16.471 1.00 9.20 C +ATOM 978 N VAL A 127 102.834 23.776 13.746 1.00 9.87 N +ATOM 979 CA VAL A 127 102.613 23.479 12.348 1.00 9.08 C +ATOM 980 C VAL A 127 102.711 24.729 11.493 1.00 11.01 C +ATOM 981 O VAL A 127 103.525 24.790 10.574 1.00 12.25 O +ATOM 982 CB VAL A 127 101.282 22.731 12.110 1.00 8.67 C +ATOM 983 CG1 VAL A 127 101.149 22.339 10.607 1.00 7.50 C +ATOM 984 CG2 VAL A 127 101.212 21.476 13.006 1.00 6.50 C +ATOM 985 N ILE A 128 101.902 25.735 11.794 1.00 11.74 N +ATOM 986 CA ILE A 128 101.935 26.984 11.030 1.00 12.20 C +ATOM 987 C ILE A 128 103.177 27.820 11.393 1.00 13.04 C +ATOM 988 O ILE A 128 103.831 28.388 10.513 1.00 12.44 O +ATOM 989 CB ILE A 128 100.690 27.854 11.312 1.00 11.73 C +ATOM 990 CG1 ILE A 128 99.429 26.990 11.412 1.00 8.77 C +ATOM 991 CG2 ILE A 128 100.529 28.893 10.189 1.00 14.51 C +ATOM 992 CD1 ILE A 128 98.635 26.950 10.165 1.00 6.38 C +ATOM 993 N GLY A 129 103.493 27.874 12.692 1.00 14.58 N +ATOM 994 CA GLY A 129 104.630 28.643 13.194 1.00 13.93 C +ATOM 995 C GLY A 129 104.237 30.084 13.510 1.00 14.29 C +ATOM 996 O GLY A 129 105.033 31.021 13.319 1.00 13.87 O +ATOM 997 N THR A 130 103.019 30.255 14.020 1.00 13.24 N +ATOM 998 CA THR A 130 102.476 31.565 14.341 1.00 13.40 C +ATOM 999 C THR A 130 101.980 31.541 15.769 1.00 13.59 C +ATOM 1000 O THR A 130 101.669 30.481 16.308 1.00 15.06 O +ATOM 1001 CB THR A 130 101.225 31.859 13.494 1.00 15.27 C +ATOM 1002 OG1 THR A 130 101.286 31.144 12.263 1.00 17.32 O +ATOM 1003 CG2 THR A 130 101.110 33.302 13.183 1.00 17.40 C +ATOM 1004 N ASN A 131 101.883 32.708 16.381 1.00 14.05 N +ATOM 1005 CA ASN A 131 101.350 32.811 17.736 1.00 13.96 C +ATOM 1006 C ASN A 131 99.934 33.375 17.608 1.00 14.16 C +ATOM 1007 O ASN A 131 99.294 33.677 18.606 1.00 15.41 O +ATOM 1008 CB ASN A 131 102.224 33.703 18.626 1.00 13.91 C +ATOM 1009 CG ASN A 131 103.463 32.983 19.151 1.00 15.03 C +ATOM 1010 OD1 ASN A 131 103.563 31.767 19.076 1.00 16.29 O +ATOM 1011 ND2 ASN A 131 104.411 33.742 19.689 1.00 15.28 N +ATOM 1012 N ASN A 132 99.466 33.526 16.364 1.00 15.02 N +ATOM 1013 CA ASN A 132 98.108 34.015 16.042 1.00 16.42 C +ATOM 1014 C ASN A 132 97.012 33.037 16.541 1.00 17.22 C +ATOM 1015 O ASN A 132 96.367 32.364 15.727 1.00 16.38 O +ATOM 1016 CB ASN A 132 97.930 34.138 14.518 1.00 15.13 C +ATOM 1017 CG ASN A 132 98.521 35.396 13.947 1.00 13.43 C +ATOM 1018 OD1 ASN A 132 99.220 36.122 14.621 1.00 15.73 O +ATOM 1019 ND2 ASN A 132 98.219 35.670 12.694 1.00 13.26 N +ATOM 1020 N VAL A 133 96.842 32.927 17.859 1.00 18.24 N +ATOM 1021 CA VAL A 133 95.833 32.048 18.454 1.00 19.18 C +ATOM 1022 C VAL A 133 95.183 32.848 19.546 1.00 21.02 C +ATOM 1023 O VAL A 133 95.846 33.200 20.517 1.00 22.40 O +ATOM 1024 CB VAL A 133 96.420 30.802 19.164 1.00 18.15 C +ATOM 1025 CG1 VAL A 133 95.796 29.544 18.585 1.00 15.92 C +ATOM 1026 CG2 VAL A 133 97.954 30.798 19.140 1.00 15.87 C +ATOM 1027 N ASP A 134 93.878 33.046 19.455 1.00 21.27 N +ATOM 1028 CA ASP A 134 93.188 33.837 20.450 1.00 21.86 C +ATOM 1029 C ASP A 134 91.796 33.258 20.642 1.00 23.67 C +ATOM 1030 O ASP A 134 91.362 32.389 19.876 1.00 24.01 O +ATOM 1031 CB ASP A 134 93.125 35.287 19.940 1.00 21.31 C +ATOM 1032 CG ASP A 134 92.791 36.295 21.031 1.00 22.51 C +ATOM 1033 OD1 ASP A 134 92.807 35.961 22.241 1.00 22.84 O +ATOM 1034 OD2 ASP A 134 92.517 37.454 20.660 1.00 19.76 O +ATOM 1035 N CYS A 135 91.113 33.699 21.691 1.00 25.58 N +ATOM 1036 CA CYS A 135 89.763 33.236 21.970 1.00 26.70 C +ATOM 1037 C CYS A 135 88.992 34.410 22.548 1.00 27.70 C +ATOM 1038 O CYS A 135 89.582 35.472 22.769 1.00 27.42 O +ATOM 1039 CB CYS A 135 89.770 32.030 22.918 1.00 26.46 C +ATOM 1040 SG CYS A 135 90.088 32.391 24.622 1.00 24.77 S +ATOM 1041 N CYS A 136 87.703 34.197 22.844 1.00 29.45 N +ATOM 1042 CA CYS A 136 86.795 35.244 23.341 1.00 30.48 C +ATOM 1043 C CYS A 136 87.148 35.973 24.631 1.00 30.67 C +ATOM 1044 O CYS A 136 86.430 36.883 25.060 1.00 29.00 O +ATOM 1045 CB CYS A 136 85.358 34.740 23.394 1.00 31.38 C +ATOM 1046 SG CYS A 136 85.092 33.450 24.564 1.00 37.02 S +ATOM 1047 N ALA A 137 88.268 35.596 25.237 1.00 31.54 N +ATOM 1048 CA ALA A 137 88.736 36.271 26.429 1.00 32.32 C +ATOM 1049 C ALA A 137 88.877 37.714 25.943 1.00 32.66 C +ATOM 1050 O ALA A 137 88.540 38.661 26.641 1.00 33.54 O +ATOM 1051 CB ALA A 137 90.086 35.717 26.832 1.00 31.85 C +ATOM 1052 N ARG A 138 89.280 37.827 24.683 1.00 32.36 N +ATOM 1053 CA ARG A 138 89.475 39.078 23.957 1.00 32.73 C +ATOM 1054 C ARG A 138 88.312 40.055 24.096 1.00 31.57 C +ATOM 1055 O ARG A 138 88.482 41.255 24.299 1.00 31.54 O +ATOM 1056 CB ARG A 138 89.610 38.737 22.466 1.00 32.92 C +ATOM 1057 CG ARG A 138 90.109 39.861 21.582 1.00 33.56 C +ATOM 1058 CD ARG A 138 91.613 40.012 21.707 1.00 33.08 C +ATOM 1059 NE ARG A 138 92.044 40.363 23.054 1.00 33.33 N +ATOM 1060 CZ ARG A 138 92.958 39.700 23.754 1.00 34.07 C +ATOM 1061 NH1 ARG A 138 93.545 38.626 23.257 1.00 35.74 N +ATOM 1062 NH2 ARG A 138 93.333 40.150 24.942 1.00 36.08 N +ATOM 1063 N VAL A 139 87.124 39.504 23.990 1.00 31.00 N +ATOM 1064 CA VAL A 139 85.895 40.268 24.029 1.00 31.35 C +ATOM 1065 C VAL A 139 85.147 40.204 25.387 1.00 30.23 C +ATOM 1066 O VAL A 139 84.184 40.948 25.636 1.00 29.30 O +ATOM 1067 CB VAL A 139 85.047 39.771 22.817 1.00 31.77 C +ATOM 1068 CG1 VAL A 139 83.591 39.840 23.083 1.00 33.06 C +ATOM 1069 CG2 VAL A 139 85.435 40.559 21.555 1.00 31.43 C +HETATM 1070 N CSE A 140 85.635 39.346 26.276 1.00 29.32 N +HETATM 1071 CA CSE A 140 85.027 39.153 27.583 1.00 27.91 C +HETATM 1072 CB CSE A 140 84.806 37.647 27.807 1.00 28.63 C +HETATM 1073 SE CSE A 140 83.815 37.108 29.258 1.00 30.97 SE +HETATM 1074 C CSE A 140 85.865 39.758 28.724 1.00 27.29 C +HETATM 1075 O CSE A 140 85.777 40.961 29.041 1.00 25.08 O +ATOM 1076 N HIS A 141 86.687 38.916 29.337 1.00 25.49 N +ATOM 1077 CA HIS A 141 87.510 39.346 30.433 1.00 23.81 C +ATOM 1078 C HIS A 141 88.980 39.524 30.088 1.00 23.46 C +ATOM 1079 O HIS A 141 89.854 39.314 30.942 1.00 24.21 O +ATOM 1080 CB HIS A 141 87.337 38.385 31.599 1.00 23.63 C +ATOM 1081 CG HIS A 141 86.109 38.648 32.399 1.00 23.74 C +ATOM 1082 ND1 HIS A 141 86.159 39.040 33.723 1.00 23.16 N +ATOM 1083 CD2 HIS A 141 84.800 38.615 32.064 1.00 25.72 C +ATOM 1084 CE1 HIS A 141 84.932 39.234 34.166 1.00 25.42 C +ATOM 1085 NE2 HIS A 141 84.086 38.985 33.180 1.00 27.60 N +ATOM 1086 N GLY A 142 89.262 39.874 28.838 1.00 21.74 N +ATOM 1087 CA GLY A 142 90.632 40.118 28.438 1.00 21.47 C +ATOM 1088 C GLY A 142 91.168 41.226 29.338 1.00 21.39 C +ATOM 1089 O GLY A 142 92.278 41.122 29.894 1.00 20.56 O +ATOM 1090 N PRO A 143 90.382 42.309 29.517 1.00 20.27 N +ATOM 1091 CA PRO A 143 90.823 43.408 30.375 1.00 19.86 C +ATOM 1092 C PRO A 143 91.130 42.914 31.783 1.00 20.45 C +ATOM 1093 O PRO A 143 92.142 43.308 32.358 1.00 19.15 O +ATOM 1094 CB PRO A 143 89.611 44.345 30.365 1.00 19.57 C +ATOM 1095 CG PRO A 143 89.076 44.162 28.989 1.00 19.49 C +ATOM 1096 CD PRO A 143 89.137 42.664 28.812 1.00 18.89 C +ATOM 1097 N SER A 144 90.266 42.030 32.311 1.00 21.50 N +ATOM 1098 CA SER A 144 90.420 41.472 33.664 1.00 21.74 C +ATOM 1099 C SER A 144 91.782 40.837 33.855 1.00 22.19 C +ATOM 1100 O SER A 144 92.451 41.106 34.855 1.00 22.68 O +ATOM 1101 CB SER A 144 89.350 40.423 33.995 1.00 20.33 C +ATOM 1102 OG SER A 144 88.084 41.016 34.245 1.00 20.27 O +ATOM 1103 N VAL A 145 92.199 40.020 32.887 1.00 21.78 N +ATOM 1104 CA VAL A 145 93.491 39.347 32.978 1.00 20.98 C +ATOM 1105 C VAL A 145 94.633 40.346 33.000 1.00 20.95 C +ATOM 1106 O VAL A 145 95.569 40.172 33.767 1.00 20.21 O +ATOM 1107 CB VAL A 145 93.760 38.380 31.808 1.00 20.97 C +ATOM 1108 CG1 VAL A 145 95.106 37.719 32.018 1.00 20.95 C +ATOM 1109 CG2 VAL A 145 92.659 37.338 31.680 1.00 20.19 C +ATOM 1110 N ALA A 146 94.577 41.364 32.140 1.00 19.94 N +ATOM 1111 CA ALA A 146 95.645 42.350 32.095 1.00 19.16 C +ATOM 1112 C ALA A 146 95.729 43.096 33.408 1.00 19.40 C +ATOM 1113 O ALA A 146 96.694 42.921 34.156 1.00 20.34 O +ATOM 1114 CB ALA A 146 95.453 43.308 30.957 1.00 19.00 C +ATOM 1115 N GLY A 147 94.709 43.893 33.702 1.00 19.22 N +ATOM 1116 CA GLY A 147 94.676 44.657 34.937 1.00 19.79 C +ATOM 1117 C GLY A 147 95.122 43.841 36.121 1.00 21.04 C +ATOM 1118 O GLY A 147 96.034 44.238 36.848 1.00 21.53 O +ATOM 1119 N LEU A 148 94.525 42.663 36.272 1.00 22.41 N +ATOM 1120 CA LEU A 148 94.863 41.754 37.362 1.00 22.87 C +ATOM 1121 C LEU A 148 96.258 41.202 37.231 1.00 22.47 C +ATOM 1122 O LEU A 148 96.921 40.993 38.233 1.00 25.34 O +ATOM 1123 CB LEU A 148 93.898 40.570 37.422 1.00 22.80 C +ATOM 1124 CG LEU A 148 92.675 40.723 38.304 1.00 22.83 C +ATOM 1125 CD1 LEU A 148 91.812 39.493 38.210 1.00 21.23 C +ATOM 1126 CD2 LEU A 148 93.162 40.942 39.717 1.00 23.35 C +ATOM 1127 N HIS A 149 96.710 40.936 36.016 1.00 21.79 N +ATOM 1128 CA HIS A 149 98.041 40.384 35.867 1.00 22.67 C +ATOM 1129 C HIS A 149 99.082 41.303 36.451 1.00 23.19 C +ATOM 1130 O HIS A 149 100.025 40.841 37.091 1.00 24.15 O +ATOM 1131 CB HIS A 149 98.408 40.099 34.425 1.00 23.64 C +ATOM 1132 CG HIS A 149 99.817 39.640 34.277 1.00 25.97 C +ATOM 1133 ND1 HIS A 149 100.268 38.468 34.846 1.00 26.59 N +ATOM 1134 CD2 HIS A 149 100.911 40.262 33.774 1.00 27.03 C +ATOM 1135 CE1 HIS A 149 101.582 38.395 34.713 1.00 27.49 C +ATOM 1136 NE2 HIS A 149 101.996 39.472 34.065 1.00 27.42 N +ATOM 1137 N GLN A 150 98.927 42.593 36.176 1.00 23.04 N +ATOM 1138 CA GLN A 150 99.829 43.622 36.667 1.00 22.87 C +ATOM 1139 C GLN A 150 99.662 43.868 38.151 1.00 23.60 C +ATOM 1140 O GLN A 150 100.648 43.862 38.882 1.00 26.58 O +ATOM 1141 CB GLN A 150 99.574 44.941 35.943 1.00 23.34 C +ATOM 1142 CG GLN A 150 100.499 45.209 34.775 1.00 24.52 C +ATOM 1143 CD GLN A 150 101.910 45.534 35.211 1.00 24.55 C +ATOM 1144 OE1 GLN A 150 102.126 46.334 36.137 1.00 22.93 O +ATOM 1145 NE2 GLN A 150 102.888 44.930 34.534 1.00 23.67 N +ATOM 1146 N SER A 151 98.416 44.034 38.599 1.00 23.28 N +ATOM 1147 CA SER A 151 98.121 44.345 40.000 1.00 22.06 C +ATOM 1148 C SER A 151 98.512 43.287 40.992 1.00 22.19 C +ATOM 1149 O SER A 151 99.144 43.551 42.015 1.00 22.82 O +ATOM 1150 CB SER A 151 96.618 44.539 40.229 1.00 21.51 C +ATOM 1151 OG SER A 151 95.995 45.373 39.293 1.00 20.06 O +ATOM 1152 N VAL A 152 98.116 42.072 40.677 1.00 21.46 N +ATOM 1153 CA VAL A 152 98.281 40.998 41.602 1.00 20.38 C +ATOM 1154 C VAL A 152 98.991 39.770 41.051 1.00 20.04 C +ATOM 1155 O VAL A 152 99.155 38.790 41.762 1.00 19.76 O +ATOM 1156 CB VAL A 152 96.864 40.689 42.162 1.00 20.80 C +ATOM 1157 CG1 VAL A 152 96.079 39.767 41.236 1.00 19.97 C +ATOM 1158 CG2 VAL A 152 96.935 40.199 43.555 1.00 22.94 C +ATOM 1159 N GLY A 153 99.385 39.804 39.783 1.00 19.03 N +ATOM 1160 CA GLY A 153 100.106 38.674 39.231 1.00 20.02 C +ATOM 1161 C GLY A 153 99.333 37.513 38.631 1.00 20.65 C +ATOM 1162 O GLY A 153 99.931 36.593 38.076 1.00 19.73 O +ATOM 1163 N ASN A 154 98.012 37.514 38.746 1.00 22.28 N +ATOM 1164 CA ASN A 154 97.238 36.426 38.162 1.00 22.86 C +ATOM 1165 C ASN A 154 95.848 36.905 37.793 1.00 23.34 C +ATOM 1166 O ASN A 154 95.183 37.585 38.577 1.00 24.88 O +ATOM 1167 CB ASN A 154 97.161 35.239 39.104 1.00 23.90 C +ATOM 1168 CG ASN A 154 96.780 33.984 38.383 1.00 25.83 C +ATOM 1169 OD1 ASN A 154 95.951 34.026 37.479 1.00 29.67 O +ATOM 1170 ND2 ASN A 154 97.408 32.864 38.729 1.00 26.12 N +ATOM 1171 N GLY A 155 95.403 36.547 36.599 1.00 23.46 N +ATOM 1172 CA GLY A 155 94.100 37.000 36.142 1.00 24.49 C +ATOM 1173 C GLY A 155 92.848 36.206 36.493 1.00 24.54 C +ATOM 1174 O GLY A 155 91.752 36.630 36.123 1.00 26.97 O +ATOM 1175 N ALA A 156 92.986 35.059 37.156 1.00 22.80 N +ATOM 1176 CA ALA A 156 91.830 34.234 37.528 1.00 20.07 C +ATOM 1177 C ALA A 156 91.138 34.758 38.766 1.00 19.13 C +ATOM 1178 O ALA A 156 91.638 35.690 39.411 1.00 20.17 O +ATOM 1179 CB ALA A 156 92.273 32.832 37.787 1.00 20.97 C +ATOM 1180 N MET A 157 89.986 34.177 39.093 1.00 16.42 N +ATOM 1181 CA MET A 157 89.261 34.552 40.306 1.00 14.55 C +ATOM 1182 C MET A 157 90.279 34.283 41.401 1.00 13.29 C +ATOM 1183 O MET A 157 90.885 33.214 41.422 1.00 14.02 O +ATOM 1184 CB MET A 157 88.037 33.637 40.544 1.00 15.67 C +ATOM 1185 CG MET A 157 86.776 33.959 39.718 1.00 16.37 C +ATOM 1186 SD MET A 157 85.300 33.026 40.172 1.00 15.12 S +ATOM 1187 CE MET A 157 84.960 33.671 41.769 1.00 10.86 C +ATOM 1188 N SER A 158 90.499 35.233 42.294 1.00 11.57 N +ATOM 1189 CA SER A 158 91.483 35.009 43.330 1.00 11.40 C +ATOM 1190 C SER A 158 91.032 33.916 44.248 1.00 12.35 C +ATOM 1191 O SER A 158 91.826 33.087 44.683 1.00 13.08 O +ATOM 1192 CB SER A 158 91.731 36.277 44.130 1.00 11.66 C +ATOM 1193 OG SER A 158 90.548 36.730 44.733 1.00 12.47 O +ATOM 1194 N ASN A 159 89.737 33.910 44.526 1.00 13.43 N +ATOM 1195 CA ASN A 159 89.141 32.938 45.421 1.00 13.39 C +ATOM 1196 C ASN A 159 88.108 32.078 44.681 1.00 14.17 C +ATOM 1197 O ASN A 159 87.736 32.359 43.538 1.00 14.01 O +ATOM 1198 CB ASN A 159 88.535 33.671 46.623 1.00 14.14 C +ATOM 1199 CG ASN A 159 89.584 34.449 47.447 1.00 16.01 C +ATOM 1200 OD1 ASN A 159 90.433 35.168 46.908 1.00 16.94 O +ATOM 1201 ND2 ASN A 159 89.516 34.306 48.765 1.00 17.12 N +ATOM 1202 N ALA A 160 87.626 31.036 45.342 1.00 15.61 N +ATOM 1203 CA ALA A 160 86.689 30.110 44.725 1.00 16.24 C +ATOM 1204 C ALA A 160 85.206 30.457 44.787 1.00 16.82 C +ATOM 1205 O ALA A 160 84.766 31.188 45.681 1.00 16.61 O +ATOM 1206 CB ALA A 160 86.919 28.732 45.307 1.00 17.13 C +ATOM 1207 N ILE A 161 84.445 29.879 43.848 1.00 16.79 N +ATOM 1208 CA ILE A 161 82.980 30.024 43.749 1.00 16.09 C +ATOM 1209 C ILE A 161 82.396 29.519 45.063 1.00 17.02 C +ATOM 1210 O ILE A 161 81.464 30.092 45.605 1.00 19.52 O +ATOM 1211 CB ILE A 161 82.387 29.105 42.614 1.00 15.67 C +ATOM 1212 CG1 ILE A 161 82.706 29.659 41.224 1.00 14.07 C +ATOM 1213 CG2 ILE A 161 80.889 28.885 42.788 1.00 13.74 C +ATOM 1214 CD1 ILE A 161 82.076 28.855 40.126 1.00 9.22 C +ATOM 1215 N ASN A 162 82.940 28.423 45.567 1.00 18.05 N +ATOM 1216 CA ASN A 162 82.459 27.854 46.809 1.00 18.49 C +ATOM 1217 C ASN A 162 82.949 28.570 48.056 1.00 19.18 C +ATOM 1218 O ASN A 162 82.641 28.160 49.164 1.00 21.20 O +ATOM 1219 CB ASN A 162 82.790 26.372 46.881 1.00 18.29 C +ATOM 1220 CG ASN A 162 81.910 25.534 45.961 1.00 21.29 C +ATOM 1221 OD1 ASN A 162 82.010 25.602 44.729 1.00 21.76 O +ATOM 1222 ND2 ASN A 162 81.060 24.715 46.559 1.00 23.79 N +ATOM 1223 N GLU A 163 83.680 29.665 47.894 1.00 19.52 N +ATOM 1224 CA GLU A 163 84.178 30.420 49.054 1.00 18.08 C +ATOM 1225 C GLU A 163 83.249 31.592 49.384 1.00 17.15 C +ATOM 1226 O GLU A 163 83.270 32.129 50.504 1.00 15.99 O +ATOM 1227 CB GLU A 163 85.565 30.971 48.762 1.00 17.26 C +ATOM 1228 CG GLU A 163 86.696 30.253 49.405 1.00 16.69 C +ATOM 1229 CD GLU A 163 88.018 30.740 48.865 1.00 17.62 C +ATOM 1230 OE1 GLU A 163 88.528 31.769 49.362 1.00 15.80 O +ATOM 1231 OE2 GLU A 163 88.528 30.112 47.914 1.00 18.87 O +ATOM 1232 N ILE A 164 82.430 31.966 48.403 1.00 15.63 N +ATOM 1233 CA ILE A 164 81.519 33.088 48.545 1.00 15.81 C +ATOM 1234 C ILE A 164 80.591 32.974 49.750 1.00 16.42 C +ATOM 1235 O ILE A 164 80.408 33.933 50.511 1.00 16.21 O +ATOM 1236 CB ILE A 164 80.693 33.285 47.262 1.00 14.18 C +ATOM 1237 CG1 ILE A 164 81.632 33.368 46.061 1.00 13.47 C +ATOM 1238 CG2 ILE A 164 79.890 34.578 47.355 1.00 14.98 C +ATOM 1239 CD1 ILE A 164 80.950 33.728 44.757 1.00 14.66 C +ATOM 1240 N ASP A 165 80.124 31.756 49.979 1.00 17.31 N +ATOM 1241 CA ASP A 165 79.190 31.447 51.041 1.00 18.91 C +ATOM 1242 C ASP A 165 79.659 31.816 52.447 1.00 20.15 C +ATOM 1243 O ASP A 165 78.933 31.593 53.417 1.00 20.79 O +ATOM 1244 CB ASP A 165 78.819 29.961 51.006 1.00 20.55 C +ATOM 1245 CG ASP A 165 78.373 29.482 49.627 1.00 21.90 C +ATOM 1246 OD1 ASP A 165 79.005 29.855 48.614 1.00 22.55 O +ATOM 1247 OD2 ASP A 165 77.426 28.670 49.563 1.00 22.49 O +ATOM 1248 N ASN A 166 80.868 32.346 52.579 1.00 20.41 N +ATOM 1249 CA ASN A 166 81.356 32.715 53.899 1.00 19.98 C +ATOM 1250 C ASN A 166 82.052 34.076 54.016 1.00 20.67 C +ATOM 1251 O ASN A 166 82.791 34.330 54.976 1.00 20.76 O +ATOM 1252 CB ASN A 166 82.209 31.604 54.458 1.00 20.78 C +ATOM 1253 CG ASN A 166 81.389 30.396 54.824 1.00 24.99 C +ATOM 1254 OD1 ASN A 166 80.870 30.307 55.937 1.00 28.45 O +ATOM 1255 ND2 ASN A 166 81.223 29.471 53.878 1.00 25.03 N +ATOM 1256 N THR A 167 81.841 34.939 53.023 1.00 19.70 N +ATOM 1257 CA THR A 167 82.395 36.279 53.066 1.00 18.75 C +ATOM 1258 C THR A 167 81.508 37.051 54.021 1.00 18.28 C +ATOM 1259 O THR A 167 80.423 36.601 54.385 1.00 18.36 O +ATOM 1260 CB THR A 167 82.269 36.990 51.737 1.00 19.01 C +ATOM 1261 OG1 THR A 167 80.959 36.773 51.199 1.00 20.27 O +ATOM 1262 CG2 THR A 167 83.294 36.503 50.783 1.00 20.41 C +ATOM 1263 N ASP A 168 81.968 38.212 54.442 1.00 17.94 N +ATOM 1264 CA ASP A 168 81.164 39.019 55.321 1.00 16.86 C +ATOM 1265 C ASP A 168 80.475 40.099 54.499 1.00 15.75 C +ATOM 1266 O ASP A 168 79.573 40.791 54.971 1.00 17.13 O +ATOM 1267 CB ASP A 168 82.039 39.586 56.406 1.00 18.22 C +ATOM 1268 CG ASP A 168 82.594 38.505 57.295 1.00 21.42 C +ATOM 1269 OD1 ASP A 168 81.790 37.933 58.065 1.00 22.88 O +ATOM 1270 OD2 ASP A 168 83.812 38.207 57.208 1.00 22.60 O +ATOM 1271 N LEU A 169 80.859 40.193 53.241 1.00 12.97 N +ATOM 1272 CA LEU A 169 80.273 41.173 52.368 1.00 13.41 C +ATOM 1273 C LEU A 169 80.600 40.780 50.921 1.00 14.12 C +ATOM 1274 O LEU A 169 81.742 40.441 50.578 1.00 13.60 O +ATOM 1275 CB LEU A 169 80.790 42.577 52.734 1.00 12.10 C +ATOM 1276 CG LEU A 169 80.156 43.848 52.160 1.00 10.55 C +ATOM 1277 CD1 LEU A 169 80.418 45.009 53.080 1.00 10.55 C +ATOM 1278 CD2 LEU A 169 80.719 44.158 50.793 1.00 10.51 C +ATOM 1279 N VAL A 170 79.564 40.781 50.096 1.00 13.61 N +ATOM 1280 CA VAL A 170 79.695 40.425 48.710 1.00 13.50 C +ATOM 1281 C VAL A 170 79.552 41.676 47.891 1.00 12.68 C +ATOM 1282 O VAL A 170 78.449 42.104 47.607 1.00 14.03 O +ATOM 1283 CB VAL A 170 78.588 39.432 48.309 1.00 14.60 C +ATOM 1284 CG1 VAL A 170 78.842 38.895 46.891 1.00 13.81 C +ATOM 1285 CG2 VAL A 170 78.495 38.312 49.347 1.00 13.18 C +ATOM 1286 N PHE A 171 80.670 42.279 47.535 1.00 14.00 N +ATOM 1287 CA PHE A 171 80.662 43.496 46.731 1.00 14.84 C +ATOM 1288 C PHE A 171 80.434 43.151 45.238 1.00 14.80 C +ATOM 1289 O PHE A 171 81.393 42.790 44.526 1.00 14.03 O +ATOM 1290 CB PHE A 171 82.003 44.210 46.921 1.00 16.51 C +ATOM 1291 CG PHE A 171 82.018 45.632 46.433 1.00 17.89 C +ATOM 1292 CD1 PHE A 171 81.055 46.528 46.843 1.00 17.77 C +ATOM 1293 CD2 PHE A 171 83.023 46.077 45.597 1.00 19.79 C +ATOM 1294 CE1 PHE A 171 81.093 47.837 46.435 1.00 20.06 C +ATOM 1295 CE2 PHE A 171 83.072 47.402 45.176 1.00 21.88 C +ATOM 1296 CZ PHE A 171 82.108 48.281 45.594 1.00 21.52 C +ATOM 1297 N VAL A 172 79.176 43.193 44.785 1.00 13.06 N +ATOM 1298 CA VAL A 172 78.860 42.887 43.385 1.00 12.64 C +ATOM 1299 C VAL A 172 79.012 44.189 42.605 1.00 13.27 C +ATOM 1300 O VAL A 172 78.394 45.198 42.961 1.00 13.80 O +ATOM 1301 CB VAL A 172 77.418 42.317 43.227 1.00 12.01 C +ATOM 1302 CG1 VAL A 172 77.162 41.853 41.792 1.00 10.18 C +ATOM 1303 CG2 VAL A 172 77.204 41.174 44.199 1.00 9.82 C +ATOM 1304 N PHE A 173 79.843 44.187 41.562 1.00 13.66 N +ATOM 1305 CA PHE A 173 80.089 45.405 40.787 1.00 14.27 C +ATOM 1306 C PHE A 173 79.975 45.192 39.280 1.00 15.18 C +ATOM 1307 O PHE A 173 80.768 44.442 38.692 1.00 15.81 O +ATOM 1308 CB PHE A 173 81.487 45.938 41.123 1.00 14.97 C +ATOM 1309 CG PHE A 173 81.740 47.334 40.646 1.00 15.77 C +ATOM 1310 CD1 PHE A 173 81.990 47.591 39.312 1.00 16.36 C +ATOM 1311 CD2 PHE A 173 81.718 48.399 41.538 1.00 16.65 C +ATOM 1312 CE1 PHE A 173 82.212 48.892 38.865 1.00 17.58 C +ATOM 1313 CE2 PHE A 173 81.941 49.706 41.099 1.00 17.51 C +ATOM 1314 CZ PHE A 173 82.187 49.953 39.762 1.00 16.12 C +ATOM 1315 N GLY A 174 79.010 45.873 38.655 1.00 14.96 N +ATOM 1316 CA GLY A 174 78.805 45.757 37.217 1.00 13.87 C +ATOM 1317 C GLY A 174 78.828 44.302 36.853 1.00 14.16 C +ATOM 1318 O GLY A 174 79.744 43.839 36.189 1.00 14.95 O +ATOM 1319 N TYR A 175 77.824 43.575 37.321 1.00 15.36 N +ATOM 1320 CA TYR A 175 77.742 42.139 37.114 1.00 16.28 C +ATOM 1321 C TYR A 175 76.407 41.669 37.668 1.00 17.06 C +ATOM 1322 O TYR A 175 76.066 42.006 38.807 1.00 17.08 O +ATOM 1323 CB TYR A 175 78.878 41.487 37.904 1.00 15.92 C +ATOM 1324 CG TYR A 175 78.834 39.987 38.014 1.00 14.34 C +ATOM 1325 CD1 TYR A 175 78.669 39.183 36.884 1.00 12.78 C +ATOM 1326 CD2 TYR A 175 79.016 39.375 39.248 1.00 13.26 C +ATOM 1327 CE1 TYR A 175 78.692 37.798 36.982 1.00 14.47 C +ATOM 1328 CE2 TYR A 175 79.045 38.005 39.361 1.00 15.67 C +ATOM 1329 CZ TYR A 175 78.883 37.208 38.230 1.00 15.40 C +ATOM 1330 OH TYR A 175 78.924 35.828 38.371 1.00 14.48 O +ATOM 1331 N ASN A 176 75.692 40.847 36.892 1.00 17.23 N +ATOM 1332 CA ASN A 176 74.386 40.334 37.294 1.00 17.19 C +ATOM 1333 C ASN A 176 74.441 38.815 37.483 1.00 17.93 C +ATOM 1334 O ASN A 176 73.940 38.061 36.640 1.00 19.32 O +ATOM 1335 CB ASN A 176 73.355 40.704 36.224 1.00 17.22 C +ATOM 1336 CG ASN A 176 71.920 40.553 36.711 1.00 19.54 C +ATOM 1337 OD1 ASN A 176 71.652 40.514 37.916 1.00 21.56 O +ATOM 1338 ND2 ASN A 176 70.985 40.457 35.773 1.00 21.90 N +ATOM 1339 N PRO A 177 74.933 38.341 38.650 1.00 18.02 N +ATOM 1340 CA PRO A 177 75.015 36.882 38.863 1.00 17.44 C +ATOM 1341 C PRO A 177 73.668 36.170 38.733 1.00 17.97 C +ATOM 1342 O PRO A 177 73.599 35.011 38.359 1.00 16.41 O +ATOM 1343 CB PRO A 177 75.545 36.749 40.298 1.00 15.69 C +ATOM 1344 CG PRO A 177 75.813 38.137 40.779 1.00 16.28 C +ATOM 1345 CD PRO A 177 75.007 39.068 39.929 1.00 17.20 C +ATOM 1346 N ALA A 178 72.597 36.894 39.018 1.00 20.45 N +ATOM 1347 CA ALA A 178 71.251 36.337 38.972 1.00 22.30 C +ATOM 1348 C ALA A 178 70.823 35.828 37.597 1.00 22.85 C +ATOM 1349 O ALA A 178 69.990 34.936 37.507 1.00 24.93 O +ATOM 1350 CB ALA A 178 70.246 37.373 39.478 1.00 22.00 C +ATOM 1351 N ASP A 179 71.385 36.382 36.531 1.00 21.21 N +ATOM 1352 CA ASP A 179 70.991 35.964 35.194 1.00 20.92 C +ATOM 1353 C ASP A 179 72.115 35.338 34.385 1.00 20.42 C +ATOM 1354 O ASP A 179 71.890 34.701 33.343 1.00 19.02 O +ATOM 1355 CB ASP A 179 70.494 37.187 34.423 1.00 23.01 C +ATOM 1356 CG ASP A 179 69.156 37.688 34.905 1.00 22.14 C +ATOM 1357 OD1 ASP A 179 68.682 37.264 35.974 1.00 23.33 O +ATOM 1358 OD2 ASP A 179 68.566 38.503 34.187 1.00 22.11 O +ATOM 1359 N SER A 180 73.329 35.644 34.817 1.00 20.19 N +ATOM 1360 CA SER A 180 74.546 35.207 34.173 1.00 18.16 C +ATOM 1361 C SER A 180 75.104 33.912 34.706 1.00 17.98 C +ATOM 1362 O SER A 180 75.678 33.135 33.959 1.00 19.47 O +ATOM 1363 CB SER A 180 75.574 36.298 34.361 1.00 18.04 C +ATOM 1364 OG SER A 180 74.932 37.547 34.296 1.00 17.71 O +ATOM 1365 N HIS A 181 75.076 33.748 36.019 1.00 17.27 N +ATOM 1366 CA HIS A 181 75.576 32.536 36.638 1.00 16.80 C +ATOM 1367 C HIS A 181 74.642 32.281 37.819 1.00 16.97 C +ATOM 1368 O HIS A 181 74.934 32.689 38.946 1.00 19.82 O +ATOM 1369 CB HIS A 181 77.020 32.711 37.143 1.00 16.16 C +ATOM 1370 CG HIS A 181 77.989 33.221 36.112 1.00 16.43 C +ATOM 1371 ND1 HIS A 181 78.308 34.558 35.984 1.00 14.77 N +ATOM 1372 CD2 HIS A 181 78.744 32.570 35.197 1.00 16.30 C +ATOM 1373 CE1 HIS A 181 79.212 34.708 35.035 1.00 14.36 C +ATOM 1374 NE2 HIS A 181 79.495 33.518 34.542 1.00 15.49 N +ATOM 1375 N PRO A 182 73.480 31.660 37.570 1.00 14.73 N +ATOM 1376 CA PRO A 182 72.479 31.342 38.582 1.00 13.15 C +ATOM 1377 C PRO A 182 72.970 30.558 39.785 1.00 14.13 C +ATOM 1378 O PRO A 182 72.460 30.758 40.893 1.00 14.02 O +ATOM 1379 CB PRO A 182 71.449 30.577 37.780 1.00 13.12 C +ATOM 1380 CG PRO A 182 71.428 31.358 36.543 1.00 13.74 C +ATOM 1381 CD PRO A 182 72.907 31.466 36.231 1.00 14.28 C +ATOM 1382 N ILE A 183 73.931 29.653 39.566 1.00 13.97 N +ATOM 1383 CA ILE A 183 74.515 28.855 40.653 1.00 13.20 C +ATOM 1384 C ILE A 183 75.497 29.720 41.433 1.00 13.54 C +ATOM 1385 O ILE A 183 75.721 29.508 42.621 1.00 13.35 O +ATOM 1386 CB ILE A 183 75.161 27.523 40.122 1.00 14.27 C +ATOM 1387 CG1 ILE A 183 74.161 26.355 40.257 1.00 13.51 C +ATOM 1388 CG2 ILE A 183 76.462 27.189 40.840 1.00 11.66 C +ATOM 1389 CD1 ILE A 183 72.803 26.557 39.541 1.00 11.26 C +ATOM 1390 N VAL A 184 76.048 30.735 40.774 1.00 14.82 N +ATOM 1391 CA VAL A 184 76.955 31.671 41.450 1.00 16.35 C +ATOM 1392 C VAL A 184 76.021 32.626 42.220 1.00 18.27 C +ATOM 1393 O VAL A 184 76.341 33.073 43.343 1.00 19.93 O +ATOM 1394 CB VAL A 184 77.910 32.439 40.453 1.00 14.59 C +ATOM 1395 CG1 VAL A 184 78.550 33.655 41.124 1.00 13.72 C +ATOM 1396 CG2 VAL A 184 79.025 31.513 39.979 1.00 11.04 C +ATOM 1397 N ALA A 185 74.832 32.866 41.665 1.00 17.21 N +ATOM 1398 CA ALA A 185 73.870 33.712 42.348 1.00 17.77 C +ATOM 1399 C ALA A 185 73.520 32.965 43.619 1.00 19.04 C +ATOM 1400 O ALA A 185 73.654 33.490 44.725 1.00 20.95 O +ATOM 1401 CB ALA A 185 72.641 33.905 41.518 1.00 15.98 C +ATOM 1402 N ASN A 186 73.179 31.695 43.476 1.00 19.07 N +ATOM 1403 CA ASN A 186 72.814 30.903 44.638 1.00 19.23 C +ATOM 1404 C ASN A 186 73.909 30.784 45.688 1.00 19.89 C +ATOM 1405 O ASN A 186 73.653 30.372 46.816 1.00 21.73 O +ATOM 1406 CB ASN A 186 72.299 29.542 44.200 1.00 18.21 C +ATOM 1407 CG ASN A 186 71.143 29.654 43.241 1.00 18.83 C +ATOM 1408 OD1 ASN A 186 70.694 30.745 42.913 1.00 19.77 O +ATOM 1409 ND2 ASN A 186 70.685 28.527 42.741 1.00 22.84 N +ATOM 1410 N HIS A 187 75.139 31.127 45.334 1.00 19.77 N +ATOM 1411 CA HIS A 187 76.203 31.076 46.325 1.00 18.58 C +ATOM 1412 C HIS A 187 76.224 32.430 47.039 1.00 18.64 C +ATOM 1413 O HIS A 187 76.552 32.506 48.235 1.00 19.44 O +ATOM 1414 CB HIS A 187 77.545 30.754 45.672 1.00 18.20 C +ATOM 1415 CG HIS A 187 77.765 29.295 45.432 1.00 15.45 C +ATOM 1416 ND1 HIS A 187 78.278 28.452 46.391 1.00 14.75 N +ATOM 1417 CD2 HIS A 187 77.557 28.527 44.337 1.00 17.08 C +ATOM 1418 CE1 HIS A 187 78.379 27.230 45.899 1.00 15.93 C +ATOM 1419 NE2 HIS A 187 77.948 27.247 44.652 1.00 14.38 N +ATOM 1420 N VAL A 188 75.847 33.483 46.302 1.00 18.72 N +ATOM 1421 CA VAL A 188 75.755 34.864 46.809 1.00 17.36 C +ATOM 1422 C VAL A 188 74.649 34.905 47.839 1.00 16.86 C +ATOM 1423 O VAL A 188 74.853 35.367 48.963 1.00 18.79 O +ATOM 1424 CB VAL A 188 75.372 35.867 45.670 1.00 18.08 C +ATOM 1425 CG1 VAL A 188 74.762 37.137 46.236 1.00 17.46 C +ATOM 1426 CG2 VAL A 188 76.590 36.192 44.795 1.00 18.75 C +ATOM 1427 N ILE A 189 73.473 34.418 47.449 1.00 16.18 N +ATOM 1428 CA ILE A 189 72.293 34.379 48.323 1.00 15.80 C +ATOM 1429 C ILE A 189 72.612 33.636 49.631 1.00 17.36 C +ATOM 1430 O ILE A 189 72.177 34.044 50.719 1.00 16.67 O +ATOM 1431 CB ILE A 189 71.097 33.726 47.562 1.00 14.63 C +ATOM 1432 CG1 ILE A 189 70.449 34.743 46.637 1.00 10.03 C +ATOM 1433 CG2 ILE A 189 70.062 33.124 48.501 1.00 12.46 C +ATOM 1434 CD1 ILE A 189 69.585 34.093 45.639 1.00 7.93 C +ATOM 1435 N ASN A 190 73.406 32.570 49.506 1.00 19.07 N +ATOM 1436 CA ASN A 190 73.840 31.749 50.628 1.00 20.16 C +ATOM 1437 C ASN A 190 74.566 32.606 51.623 1.00 21.21 C +ATOM 1438 O ASN A 190 74.257 32.545 52.807 1.00 20.96 O +ATOM 1439 CB ASN A 190 74.784 30.664 50.155 1.00 22.34 C +ATOM 1440 CG ASN A 190 74.277 29.294 50.470 1.00 25.99 C +ATOM 1441 OD1 ASN A 190 74.539 28.336 49.737 1.00 28.09 O +ATOM 1442 ND2 ASN A 190 73.539 29.174 51.570 1.00 27.58 N +ATOM 1443 N ALA A 191 75.554 33.372 51.141 1.00 22.47 N +ATOM 1444 CA ALA A 191 76.336 34.300 51.975 1.00 24.09 C +ATOM 1445 C ALA A 191 75.375 35.216 52.720 1.00 25.24 C +ATOM 1446 O ALA A 191 75.469 35.349 53.937 1.00 25.95 O +ATOM 1447 CB ALA A 191 77.303 35.151 51.117 1.00 23.33 C +ATOM 1448 N LYS A 192 74.447 35.840 51.994 1.00 26.39 N +ATOM 1449 CA LYS A 192 73.457 36.714 52.622 1.00 28.53 C +ATOM 1450 C LYS A 192 72.723 35.957 53.728 1.00 29.54 C +ATOM 1451 O LYS A 192 72.587 36.453 54.852 1.00 28.63 O +ATOM 1452 CB LYS A 192 72.467 37.223 51.576 1.00 29.65 C +ATOM 1453 CG LYS A 192 71.207 37.889 52.131 1.00 33.52 C +ATOM 1454 CD LYS A 192 71.483 38.910 53.235 1.00 35.98 C +ATOM 1455 CE LYS A 192 72.201 40.154 52.730 1.00 36.84 C +ATOM 1456 NZ LYS A 192 72.568 41.027 53.886 1.00 36.13 N +ATOM 1457 N ARG A 193 72.292 34.737 53.406 1.00 31.61 N +ATOM 1458 CA ARG A 193 71.584 33.863 54.347 1.00 33.20 C +ATOM 1459 C ARG A 193 72.434 33.687 55.600 1.00 31.72 C +ATOM 1460 O ARG A 193 71.942 33.813 56.715 1.00 32.27 O +ATOM 1461 CB ARG A 193 71.290 32.507 53.687 1.00 36.18 C +ATOM 1462 CG ARG A 193 70.466 31.540 54.530 1.00 40.53 C +ATOM 1463 CD ARG A 193 69.910 30.366 53.700 1.00 44.73 C +ATOM 1464 NE ARG A 193 69.115 29.442 54.521 1.00 48.09 N +ATOM 1465 CZ ARG A 193 67.807 29.223 54.366 1.00 50.62 C +ATOM 1466 NH1 ARG A 193 67.117 29.854 53.413 1.00 49.85 N +ATOM 1467 NH2 ARG A 193 67.177 28.388 55.191 1.00 51.26 N +ATOM 1468 N ASN A 194 73.728 33.487 55.392 1.00 30.29 N +ATOM 1469 CA ASN A 194 74.677 33.327 56.469 1.00 29.71 C +ATOM 1470 C ASN A 194 75.070 34.656 57.101 1.00 30.94 C +ATOM 1471 O ASN A 194 76.064 34.732 57.820 1.00 31.57 O +ATOM 1472 CB ASN A 194 75.908 32.601 55.962 1.00 29.22 C +ATOM 1473 CG ASN A 194 75.615 31.167 55.605 1.00 29.19 C +ATOM 1474 OD1 ASN A 194 74.649 30.591 56.105 1.00 31.40 O +ATOM 1475 ND2 ASN A 194 76.440 30.573 54.743 1.00 27.19 N +ATOM 1476 N GLY A 195 74.320 35.713 56.794 1.00 31.90 N +ATOM 1477 CA GLY A 195 74.571 37.012 57.390 1.00 32.51 C +ATOM 1478 C GLY A 195 75.548 37.957 56.727 1.00 34.01 C +ATOM 1479 O GLY A 195 75.912 38.986 57.303 1.00 35.65 O +ATOM 1480 N ALA A 196 75.993 37.638 55.525 1.00 34.05 N +ATOM 1481 CA ALA A 196 76.925 38.529 54.856 1.00 33.35 C +ATOM 1482 C ALA A 196 76.111 39.717 54.386 1.00 33.24 C +ATOM 1483 O ALA A 196 74.885 39.625 54.303 1.00 35.03 O +ATOM 1484 CB ALA A 196 77.544 37.836 53.663 1.00 32.67 C +ATOM 1485 N LYS A 197 76.769 40.851 54.171 1.00 31.96 N +ATOM 1486 CA LYS A 197 76.098 42.026 53.636 1.00 29.98 C +ATOM 1487 C LYS A 197 76.222 41.906 52.097 1.00 28.36 C +ATOM 1488 O LYS A 197 76.951 41.059 51.573 1.00 27.63 O +ATOM 1489 CB LYS A 197 76.790 43.296 54.117 1.00 32.80 C +ATOM 1490 CG LYS A 197 76.805 43.483 55.624 1.00 36.21 C +ATOM 1491 CD LYS A 197 77.843 44.548 56.030 1.00 40.13 C +ATOM 1492 CE LYS A 197 79.289 43.979 56.065 1.00 41.95 C +ATOM 1493 NZ LYS A 197 80.349 45.040 56.254 1.00 40.91 N +ATOM 1494 N ILE A 198 75.499 42.737 51.365 1.00 26.26 N +ATOM 1495 CA ILE A 198 75.549 42.695 49.911 1.00 22.50 C +ATOM 1496 C ILE A 198 75.396 44.098 49.369 1.00 21.57 C +ATOM 1497 O ILE A 198 74.528 44.866 49.831 1.00 21.05 O +ATOM 1498 CB ILE A 198 74.439 41.811 49.322 1.00 20.96 C +ATOM 1499 CG1 ILE A 198 74.597 40.372 49.811 1.00 19.85 C +ATOM 1500 CG2 ILE A 198 74.495 41.856 47.803 1.00 20.09 C +ATOM 1501 CD1 ILE A 198 73.703 39.392 49.091 1.00 19.96 C +ATOM 1502 N ILE A 199 76.282 44.442 48.438 1.00 20.26 N +ATOM 1503 CA ILE A 199 76.293 45.752 47.788 1.00 19.35 C +ATOM 1504 C ILE A 199 76.338 45.503 46.285 1.00 20.14 C +ATOM 1505 O ILE A 199 77.167 44.722 45.786 1.00 19.88 O +ATOM 1506 CB ILE A 199 77.542 46.599 48.180 1.00 17.65 C +ATOM 1507 CG1 ILE A 199 77.714 46.657 49.702 1.00 15.09 C +ATOM 1508 CG2 ILE A 199 77.435 47.998 47.588 1.00 15.96 C +ATOM 1509 CD1 ILE A 199 78.824 47.568 50.135 1.00 13.75 C +ATOM 1510 N VAL A 200 75.429 46.146 45.571 1.00 20.78 N +ATOM 1511 CA VAL A 200 75.357 45.998 44.127 1.00 22.43 C +ATOM 1512 C VAL A 200 75.557 47.366 43.484 1.00 22.96 C +ATOM 1513 O VAL A 200 74.868 48.332 43.832 1.00 23.15 O +ATOM 1514 CB VAL A 200 73.997 45.376 43.715 1.00 24.12 C +ATOM 1515 CG1 VAL A 200 73.901 45.232 42.181 1.00 23.97 C +ATOM 1516 CG2 VAL A 200 73.830 44.003 44.395 1.00 23.26 C +ATOM 1517 N CYS A 201 76.552 47.467 42.612 1.00 23.54 N +ATOM 1518 CA CYS A 201 76.850 48.725 41.935 1.00 25.67 C +ATOM 1519 C CYS A 201 76.551 48.559 40.468 1.00 24.82 C +ATOM 1520 O CYS A 201 77.389 48.074 39.707 1.00 25.47 O +ATOM 1521 CB CYS A 201 78.313 49.100 42.136 1.00 25.96 C +ATOM 1522 SG CYS A 201 78.755 49.149 43.877 1.00 33.24 S +ATOM 1523 N ASP A 202 75.367 49.005 40.070 1.00 24.47 N +ATOM 1524 CA ASP A 202 74.911 48.876 38.695 1.00 23.09 C +ATOM 1525 C ASP A 202 73.863 49.943 38.464 1.00 23.79 C +ATOM 1526 O ASP A 202 73.142 50.325 39.391 1.00 24.41 O +ATOM 1527 CB ASP A 202 74.235 47.499 38.545 1.00 22.04 C +ATOM 1528 CG ASP A 202 74.001 47.076 37.095 1.00 20.99 C +ATOM 1529 OD1 ASP A 202 73.387 47.816 36.302 1.00 18.91 O +ATOM 1530 OD2 ASP A 202 74.389 45.941 36.766 1.00 19.16 O +ATOM 1531 N PRO A 203 73.876 50.557 37.282 1.00 23.62 N +ATOM 1532 CA PRO A 203 72.876 51.574 36.970 1.00 24.44 C +ATOM 1533 C PRO A 203 71.454 50.973 37.122 1.00 25.16 C +ATOM 1534 O PRO A 203 70.635 51.517 37.878 1.00 26.48 O +ATOM 1535 CB PRO A 203 73.200 51.903 35.517 1.00 23.95 C +ATOM 1536 CG PRO A 203 74.676 51.871 35.519 1.00 22.86 C +ATOM 1537 CD PRO A 203 75.039 50.678 36.386 1.00 22.99 C +ATOM 1538 N ARG A 204 71.196 49.834 36.457 1.00 25.20 N +ATOM 1539 CA ARG A 204 69.899 49.135 36.503 1.00 25.38 C +ATOM 1540 C ARG A 204 69.588 48.502 37.858 1.00 26.99 C +ATOM 1541 O ARG A 204 70.486 48.131 38.623 1.00 26.31 O +ATOM 1542 CB ARG A 204 69.836 47.957 35.521 1.00 25.75 C +ATOM 1543 CG ARG A 204 70.206 48.197 34.090 1.00 27.09 C +ATOM 1544 CD ARG A 204 70.885 46.935 33.511 1.00 27.83 C +ATOM 1545 NE ARG A 204 69.961 45.879 33.082 1.00 29.49 N +ATOM 1546 CZ ARG A 204 70.283 44.589 32.937 1.00 28.58 C +ATOM 1547 NH1 ARG A 204 71.509 44.159 33.195 1.00 29.58 N +ATOM 1548 NH2 ARG A 204 69.388 43.728 32.471 1.00 27.91 N +ATOM 1549 N LYS A 205 68.296 48.252 38.070 1.00 29.23 N +ATOM 1550 CA LYS A 205 67.790 47.600 39.273 1.00 30.54 C +ATOM 1551 C LYS A 205 67.668 46.126 38.892 1.00 30.81 C +ATOM 1552 O LYS A 205 66.579 45.624 38.622 1.00 30.63 O +ATOM 1553 CB LYS A 205 66.417 48.154 39.637 1.00 31.73 C +ATOM 1554 CG LYS A 205 66.140 49.513 39.035 1.00 35.48 C +ATOM 1555 CD LYS A 205 64.748 49.991 39.342 1.00 38.37 C +ATOM 1556 CE LYS A 205 64.571 50.318 40.808 1.00 41.83 C +ATOM 1557 NZ LYS A 205 63.136 50.661 41.078 1.00 45.10 N +ATOM 1558 N ILE A 206 68.816 45.464 38.786 1.00 31.64 N +ATOM 1559 CA ILE A 206 68.884 44.049 38.420 1.00 31.54 C +ATOM 1560 C ILE A 206 68.338 43.199 39.568 1.00 32.93 C +ATOM 1561 O ILE A 206 68.300 43.654 40.712 1.00 34.15 O +ATOM 1562 CB ILE A 206 70.359 43.632 38.127 1.00 30.96 C +ATOM 1563 CG1 ILE A 206 71.263 44.056 39.289 1.00 28.71 C +ATOM 1564 CG2 ILE A 206 70.840 44.205 36.781 1.00 29.49 C +ATOM 1565 CD1 ILE A 206 72.721 43.881 39.015 1.00 28.94 C +ATOM 1566 N GLU A 207 67.966 41.955 39.282 1.00 33.75 N +ATOM 1567 CA GLU A 207 67.431 41.062 40.312 1.00 34.43 C +ATOM 1568 C GLU A 207 68.233 41.093 41.598 1.00 33.84 C +ATOM 1569 O GLU A 207 67.693 41.295 42.688 1.00 33.75 O +ATOM 1570 CB GLU A 207 67.356 39.628 39.786 1.00 36.60 C +ATOM 1571 CG GLU A 207 65.954 39.183 39.379 1.00 39.16 C +ATOM 1572 CD GLU A 207 65.019 39.009 40.571 1.00 40.61 C +ATOM 1573 OE1 GLU A 207 65.238 38.076 41.383 1.00 40.62 O +ATOM 1574 OE2 GLU A 207 64.058 39.804 40.682 1.00 43.30 O +ATOM 1575 N THR A 208 69.540 40.962 41.449 1.00 34.89 N +ATOM 1576 CA THR A 208 70.460 40.953 42.576 1.00 36.12 C +ATOM 1577 C THR A 208 70.197 42.083 43.586 1.00 38.01 C +ATOM 1578 O THR A 208 70.169 41.859 44.804 1.00 39.05 O +ATOM 1579 CB THR A 208 71.907 41.054 42.067 1.00 34.59 C +ATOM 1580 OG1 THR A 208 71.989 40.494 40.750 1.00 33.04 O +ATOM 1581 CG2 THR A 208 72.833 40.287 42.980 1.00 34.93 C +ATOM 1582 N ALA A 209 69.952 43.279 43.065 1.00 38.91 N +ATOM 1583 CA ALA A 209 69.710 44.461 43.884 1.00 40.67 C +ATOM 1584 C ALA A 209 68.613 44.343 44.956 1.00 41.86 C +ATOM 1585 O ALA A 209 68.659 45.048 45.976 1.00 41.65 O +ATOM 1586 CB ALA A 209 69.430 45.666 42.978 1.00 39.83 C +ATOM 1587 N ARG A 210 67.640 43.461 44.744 1.00 42.49 N +ATOM 1588 CA ARG A 210 66.557 43.337 45.711 1.00 43.05 C +ATOM 1589 C ARG A 210 67.029 42.834 47.061 1.00 41.81 C +ATOM 1590 O ARG A 210 66.524 43.258 48.096 1.00 41.14 O +ATOM 1591 CB ARG A 210 65.443 42.433 45.188 1.00 46.32 C +ATOM 1592 CG ARG A 210 64.065 42.799 45.749 1.00 48.65 C +ATOM 1593 CD ARG A 210 63.791 44.265 45.460 1.00 51.19 C +ATOM 1594 NE ARG A 210 62.473 44.713 45.885 1.00 52.70 N +ATOM 1595 CZ ARG A 210 62.121 45.993 45.975 1.00 54.08 C +ATOM 1596 NH1 ARG A 210 62.990 46.962 45.676 1.00 53.21 N +ATOM 1597 NH2 ARG A 210 60.887 46.305 46.353 1.00 55.38 N +ATOM 1598 N ILE A 211 67.994 41.922 47.038 1.00 40.51 N +ATOM 1599 CA ILE A 211 68.543 41.346 48.263 1.00 39.62 C +ATOM 1600 C ILE A 211 69.725 42.158 48.802 1.00 38.37 C +ATOM 1601 O ILE A 211 70.285 41.854 49.870 1.00 38.51 O +ATOM 1602 CB ILE A 211 68.983 39.891 48.027 1.00 39.83 C +ATOM 1603 CG1 ILE A 211 69.949 39.815 46.850 1.00 40.20 C +ATOM 1604 CG2 ILE A 211 67.769 39.029 47.746 1.00 40.26 C +ATOM 1605 CD1 ILE A 211 70.472 38.417 46.584 1.00 42.64 C +ATOM 1606 N ALA A 212 70.064 43.218 48.072 1.00 36.64 N +ATOM 1607 CA ALA A 212 71.175 44.092 48.421 1.00 33.35 C +ATOM 1608 C ALA A 212 70.879 45.135 49.482 1.00 31.47 C +ATOM 1609 O ALA A 212 69.932 45.921 49.382 1.00 31.46 O +ATOM 1610 CB ALA A 212 71.715 44.772 47.169 1.00 32.76 C +ATOM 1611 N ASP A 213 71.746 45.176 50.477 1.00 29.64 N +ATOM 1612 CA ASP A 213 71.636 46.148 51.540 1.00 28.18 C +ATOM 1613 C ASP A 213 71.794 47.537 50.925 1.00 27.37 C +ATOM 1614 O ASP A 213 71.114 48.475 51.312 1.00 27.51 O +ATOM 1615 CB ASP A 213 72.745 45.902 52.532 1.00 28.43 C +ATOM 1616 CG ASP A 213 72.739 44.505 53.027 1.00 28.98 C +ATOM 1617 OD1 ASP A 213 73.024 43.608 52.212 1.00 29.78 O +ATOM 1618 OD2 ASP A 213 72.409 44.301 54.215 1.00 31.10 O +ATOM 1619 N MET A 214 72.712 47.664 49.975 1.00 25.43 N +ATOM 1620 CA MET A 214 72.921 48.927 49.308 1.00 23.97 C +ATOM 1621 C MET A 214 72.949 48.779 47.789 1.00 23.87 C +ATOM 1622 O MET A 214 73.674 47.931 47.261 1.00 25.39 O +ATOM 1623 CB MET A 214 74.253 49.550 49.757 1.00 23.93 C +ATOM 1624 CG MET A 214 74.148 50.596 50.858 1.00 24.11 C +ATOM 1625 SD MET A 214 75.689 51.467 51.170 1.00 21.86 S +ATOM 1626 CE MET A 214 75.771 52.383 49.640 1.00 24.51 C +ATOM 1627 N HIS A 215 72.107 49.520 47.084 1.00 21.96 N +ATOM 1628 CA HIS A 215 72.196 49.506 45.632 1.00 22.76 C +ATOM 1629 C HIS A 215 72.783 50.890 45.263 1.00 23.86 C +ATOM 1630 O HIS A 215 72.283 51.935 45.695 1.00 24.58 O +ATOM 1631 CB HIS A 215 70.846 49.267 44.953 1.00 20.69 C +ATOM 1632 CG HIS A 215 70.895 49.388 43.452 1.00 19.24 C +ATOM 1633 ND1 HIS A 215 69.999 48.738 42.627 1.00 19.11 N +ATOM 1634 CD2 HIS A 215 71.719 50.083 42.636 1.00 18.28 C +ATOM 1635 CE1 HIS A 215 70.273 49.027 41.368 1.00 18.50 C +ATOM 1636 NE2 HIS A 215 71.310 49.840 41.342 1.00 19.62 N +ATOM 1637 N ILE A 216 73.877 50.881 44.507 1.00 24.76 N +ATOM 1638 CA ILE A 216 74.562 52.105 44.102 1.00 24.32 C +ATOM 1639 C ILE A 216 74.422 52.285 42.604 1.00 23.73 C +ATOM 1640 O ILE A 216 75.250 51.833 41.821 1.00 21.85 O +ATOM 1641 CB ILE A 216 76.055 52.064 44.532 1.00 24.89 C +ATOM 1642 CG1 ILE A 216 76.156 52.157 46.055 1.00 24.78 C +ATOM 1643 CG2 ILE A 216 76.851 53.188 43.894 1.00 23.84 C +ATOM 1644 CD1 ILE A 216 77.473 51.624 46.585 1.00 26.99 C +ATOM 1645 N ALA A 217 73.306 52.890 42.222 1.00 24.80 N +ATOM 1646 CA ALA A 217 72.990 53.138 40.821 1.00 25.44 C +ATOM 1647 C ALA A 217 73.862 54.207 40.144 1.00 24.82 C +ATOM 1648 O ALA A 217 73.356 55.270 39.756 1.00 24.62 O +ATOM 1649 CB ALA A 217 71.506 53.487 40.681 1.00 24.41 C +ATOM 1650 N LEU A 218 75.152 53.906 39.976 1.00 24.27 N +ATOM 1651 CA LEU A 218 76.081 54.840 39.331 1.00 24.79 C +ATOM 1652 C LEU A 218 75.724 55.078 37.847 1.00 24.50 C +ATOM 1653 O LEU A 218 75.377 54.159 37.108 1.00 24.83 O +ATOM 1654 CB LEU A 218 77.540 54.374 39.475 1.00 24.72 C +ATOM 1655 CG LEU A 218 78.088 53.297 38.535 1.00 25.30 C +ATOM 1656 CD1 LEU A 218 79.569 53.053 38.790 1.00 25.59 C +ATOM 1657 CD2 LEU A 218 77.300 52.020 38.703 1.00 25.45 C +ATOM 1658 N LYS A 219 75.784 56.328 37.422 1.00 24.67 N +ATOM 1659 CA LYS A 219 75.451 56.670 36.065 1.00 23.54 C +ATOM 1660 C LYS A 219 76.344 55.895 35.145 1.00 22.47 C +ATOM 1661 O LYS A 219 77.559 55.844 35.322 1.00 23.26 O +ATOM 1662 CB LYS A 219 75.654 58.155 35.807 1.00 24.85 C +ATOM 1663 CG LYS A 219 74.735 59.048 36.574 1.00 27.17 C +ATOM 1664 CD LYS A 219 74.990 60.494 36.196 1.00 29.19 C +ATOM 1665 CE LYS A 219 73.820 61.380 36.555 1.00 29.62 C +ATOM 1666 NZ LYS A 219 74.202 62.802 36.464 1.00 30.34 N +ATOM 1667 N ASN A 220 75.718 55.314 34.140 1.00 20.83 N +ATOM 1668 CA ASN A 220 76.398 54.542 33.134 1.00 19.66 C +ATOM 1669 C ASN A 220 77.731 55.202 32.758 1.00 19.42 C +ATOM 1670 O ASN A 220 77.796 56.401 32.526 1.00 19.18 O +ATOM 1671 CB ASN A 220 75.481 54.391 31.905 1.00 18.55 C +ATOM 1672 CG ASN A 220 74.254 53.509 32.179 1.00 18.84 C +ATOM 1673 OD1 ASN A 220 73.892 52.661 31.371 1.00 19.84 O +ATOM 1674 ND2 ASN A 220 73.616 53.707 33.318 1.00 17.56 N +ATOM 1675 N GLY A 221 78.801 54.414 32.822 1.00 19.58 N +ATOM 1676 CA GLY A 221 80.125 54.882 32.461 1.00 18.11 C +ATOM 1677 C GLY A 221 80.871 55.760 33.433 1.00 17.22 C +ATOM 1678 O GLY A 221 81.820 56.407 33.020 1.00 17.38 O +ATOM 1679 N SER A 222 80.496 55.753 34.709 1.00 16.47 N +ATOM 1680 CA SER A 222 81.153 56.582 35.731 1.00 14.81 C +ATOM 1681 C SER A 222 81.909 55.786 36.802 1.00 14.21 C +ATOM 1682 O SER A 222 82.163 56.304 37.888 1.00 13.28 O +ATOM 1683 CB SER A 222 80.081 57.408 36.440 1.00 14.83 C +ATOM 1684 OG SER A 222 79.205 56.563 37.171 1.00 15.05 O +ATOM 1685 N ASN A 223 82.286 54.551 36.479 1.00 15.39 N +ATOM 1686 CA ASN A 223 82.941 53.618 37.409 1.00 15.56 C +ATOM 1687 C ASN A 223 84.128 54.157 38.199 1.00 17.26 C +ATOM 1688 O ASN A 223 84.139 54.099 39.427 1.00 17.12 O +ATOM 1689 CB ASN A 223 83.355 52.318 36.688 1.00 15.74 C +ATOM 1690 CG ASN A 223 82.196 51.645 35.929 1.00 16.80 C +ATOM 1691 OD1 ASN A 223 81.751 50.544 36.285 1.00 13.20 O +ATOM 1692 ND2 ASN A 223 81.748 52.287 34.832 1.00 17.14 N +ATOM 1693 N ILE A 224 85.120 54.709 37.508 1.00 18.73 N +ATOM 1694 CA ILE A 224 86.305 55.222 38.183 1.00 18.78 C +ATOM 1695 C ILE A 224 85.970 56.401 39.095 1.00 19.45 C +ATOM 1696 O ILE A 224 86.621 56.625 40.111 1.00 19.74 O +ATOM 1697 CB ILE A 224 87.379 55.637 37.171 1.00 19.25 C +ATOM 1698 CG1 ILE A 224 87.640 54.494 36.175 1.00 19.57 C +ATOM 1699 CG2 ILE A 224 88.647 56.073 37.911 1.00 19.88 C +ATOM 1700 CD1 ILE A 224 88.877 53.656 36.436 1.00 19.63 C +ATOM 1701 N ALA A 225 84.961 57.168 38.711 1.00 19.93 N +ATOM 1702 CA ALA A 225 84.551 58.308 39.502 1.00 19.48 C +ATOM 1703 C ALA A 225 84.096 57.749 40.829 1.00 19.40 C +ATOM 1704 O ALA A 225 84.587 58.151 41.880 1.00 20.58 O +ATOM 1705 CB ALA A 225 83.413 59.057 38.810 1.00 19.45 C +ATOM 1706 N LEU A 226 83.202 56.774 40.780 1.00 18.90 N +ATOM 1707 CA LEU A 226 82.708 56.182 42.016 1.00 19.16 C +ATOM 1708 C LEU A 226 83.833 55.506 42.804 1.00 19.28 C +ATOM 1709 O LEU A 226 83.928 55.656 44.032 1.00 21.54 O +ATOM 1710 CB LEU A 226 81.606 55.152 41.742 1.00 17.51 C +ATOM 1711 CG LEU A 226 81.218 54.467 43.051 1.00 16.63 C +ATOM 1712 CD1 LEU A 226 80.606 55.506 43.942 1.00 14.93 C +ATOM 1713 CD2 LEU A 226 80.294 53.276 42.844 1.00 17.19 C +ATOM 1714 N LEU A 227 84.694 54.790 42.093 1.00 16.15 N +ATOM 1715 CA LEU A 227 85.765 54.060 42.726 1.00 14.71 C +ATOM 1716 C LEU A 227 86.772 54.908 43.521 1.00 14.58 C +ATOM 1717 O LEU A 227 86.994 54.681 44.720 1.00 14.47 O +ATOM 1718 CB LEU A 227 86.446 53.194 41.674 1.00 15.05 C +ATOM 1719 CG LEU A 227 85.608 51.972 41.302 1.00 15.50 C +ATOM 1720 CD1 LEU A 227 86.117 51.362 40.009 1.00 17.05 C +ATOM 1721 CD2 LEU A 227 85.648 50.964 42.450 1.00 13.52 C +ATOM 1722 N ASN A 228 87.357 55.903 42.870 1.00 12.97 N +ATOM 1723 CA ASN A 228 88.314 56.763 43.523 1.00 12.45 C +ATOM 1724 C ASN A 228 87.679 57.365 44.766 1.00 15.52 C +ATOM 1725 O ASN A 228 88.308 57.435 45.830 1.00 17.46 O +ATOM 1726 CB ASN A 228 88.764 57.846 42.566 1.00 9.62 C +ATOM 1727 CG ASN A 228 89.454 57.282 41.346 1.00 8.92 C +ATOM 1728 OD1 ASN A 228 89.950 56.159 41.359 1.00 7.32 O +ATOM 1729 ND2 ASN A 228 89.500 58.061 40.286 1.00 9.39 N +ATOM 1730 N ALA A 229 86.399 57.710 44.671 1.00 16.89 N +ATOM 1731 CA ALA A 229 85.705 58.291 45.808 1.00 17.59 C +ATOM 1732 C ALA A 229 85.619 57.279 46.975 1.00 18.45 C +ATOM 1733 O ALA A 229 85.695 57.664 48.150 1.00 17.65 O +ATOM 1734 CB ALA A 229 84.332 58.787 45.384 1.00 15.82 C +ATOM 1735 N MET A 230 85.510 55.988 46.665 1.00 19.20 N +ATOM 1736 CA MET A 230 85.449 54.989 47.738 1.00 22.22 C +ATOM 1737 C MET A 230 86.832 54.870 48.371 1.00 24.05 C +ATOM 1738 O MET A 230 86.969 54.763 49.609 1.00 23.16 O +ATOM 1739 CB MET A 230 84.972 53.626 47.220 1.00 21.80 C +ATOM 1740 CG MET A 230 83.520 53.639 46.752 1.00 21.49 C +ATOM 1741 SD MET A 230 82.912 52.043 46.190 1.00 20.85 S +ATOM 1742 CE MET A 230 82.478 51.252 47.758 1.00 16.47 C +ATOM 1743 N GLY A 231 87.850 54.909 47.503 1.00 25.52 N +ATOM 1744 CA GLY A 231 89.232 54.841 47.942 1.00 25.19 C +ATOM 1745 C GLY A 231 89.537 56.080 48.759 1.00 24.92 C +ATOM 1746 O GLY A 231 90.230 56.009 49.780 1.00 24.30 O +ATOM 1747 N HIS A 232 88.949 57.204 48.348 1.00 24.68 N +ATOM 1748 CA HIS A 232 89.129 58.480 49.042 1.00 25.12 C +ATOM 1749 C HIS A 232 88.669 58.332 50.479 1.00 24.46 C +ATOM 1750 O HIS A 232 89.371 58.723 51.397 1.00 24.06 O +ATOM 1751 CB HIS A 232 88.312 59.583 48.366 1.00 25.28 C +ATOM 1752 CG HIS A 232 88.343 60.898 49.089 1.00 24.69 C +ATOM 1753 ND1 HIS A 232 89.061 61.983 48.635 1.00 24.81 N +ATOM 1754 CD2 HIS A 232 87.740 61.303 50.232 1.00 24.07 C +ATOM 1755 CE1 HIS A 232 88.905 62.994 49.467 1.00 23.37 C +ATOM 1756 NE2 HIS A 232 88.106 62.608 50.445 1.00 23.08 N +ATOM 1757 N VAL A 233 87.474 57.781 50.654 1.00 24.98 N +ATOM 1758 CA VAL A 233 86.895 57.564 51.974 1.00 24.95 C +ATOM 1759 C VAL A 233 87.698 56.578 52.813 1.00 25.47 C +ATOM 1760 O VAL A 233 87.970 56.836 53.989 1.00 24.98 O +ATOM 1761 CB VAL A 233 85.432 57.068 51.863 1.00 25.06 C +ATOM 1762 CG1 VAL A 233 84.910 56.632 53.237 1.00 24.67 C +ATOM 1763 CG2 VAL A 233 84.541 58.175 51.265 1.00 23.33 C +ATOM 1764 N ILE A 234 88.081 55.453 52.211 1.00 26.62 N +ATOM 1765 CA ILE A 234 88.847 54.435 52.927 1.00 26.69 C +ATOM 1766 C ILE A 234 90.134 54.988 53.540 1.00 26.96 C +ATOM 1767 O ILE A 234 90.491 54.624 54.664 1.00 26.20 O +ATOM 1768 CB ILE A 234 89.104 53.185 52.037 1.00 26.26 C +ATOM 1769 CG1 ILE A 234 87.832 52.337 51.976 1.00 27.02 C +ATOM 1770 CG2 ILE A 234 90.204 52.323 52.610 1.00 26.53 C +ATOM 1771 CD1 ILE A 234 87.954 51.075 51.134 1.00 27.80 C +ATOM 1772 N ILE A 235 90.815 55.874 52.812 1.00 27.73 N +ATOM 1773 CA ILE A 235 92.047 56.494 53.297 1.00 27.92 C +ATOM 1774 C ILE A 235 91.723 57.666 54.218 1.00 29.55 C +ATOM 1775 O ILE A 235 92.282 57.766 55.310 1.00 30.43 O +ATOM 1776 CB ILE A 235 92.942 56.960 52.128 1.00 27.34 C +ATOM 1777 CG1 ILE A 235 93.570 55.732 51.437 1.00 28.86 C +ATOM 1778 CG2 ILE A 235 94.001 57.921 52.617 1.00 23.91 C +ATOM 1779 CD1 ILE A 235 94.315 56.015 50.126 1.00 26.15 C +ATOM 1780 N GLU A 236 90.782 58.515 53.802 1.00 31.13 N +ATOM 1781 CA GLU A 236 90.367 59.683 54.589 1.00 32.54 C +ATOM 1782 C GLU A 236 90.014 59.286 56.019 1.00 32.08 C +ATOM 1783 O GLU A 236 90.481 59.897 56.971 1.00 33.35 O +ATOM 1784 CB GLU A 236 89.152 60.379 53.957 1.00 34.82 C +ATOM 1785 CG GLU A 236 88.804 61.731 54.604 1.00 40.63 C +ATOM 1786 CD GLU A 236 87.488 62.337 54.098 1.00 43.51 C +ATOM 1787 OE1 GLU A 236 86.427 61.702 54.283 1.00 46.10 O +ATOM 1788 OE2 GLU A 236 87.503 63.457 53.531 1.00 44.65 O +ATOM 1789 N GLU A 237 89.203 58.246 56.162 1.00 31.59 N +ATOM 1790 CA GLU A 237 88.778 57.770 57.477 1.00 29.79 C +ATOM 1791 C GLU A 237 89.689 56.732 58.135 1.00 29.41 C +ATOM 1792 O GLU A 237 89.284 56.112 59.119 1.00 28.55 O +ATOM 1793 CB GLU A 237 87.368 57.192 57.400 1.00 28.13 C +ATOM 1794 CG GLU A 237 86.355 58.106 56.764 1.00 22.96 C +ATOM 1795 CD GLU A 237 84.950 57.724 57.101 1.00 19.55 C +ATOM 1796 OE1 GLU A 237 84.737 56.643 57.676 1.00 16.11 O +ATOM 1797 OE2 GLU A 237 84.052 58.527 56.802 1.00 18.30 O +ATOM 1798 N ASN A 238 90.875 56.506 57.564 1.00 28.99 N +ATOM 1799 CA ASN A 238 91.856 55.554 58.102 1.00 29.23 C +ATOM 1800 C ASN A 238 91.333 54.138 58.270 1.00 29.42 C +ATOM 1801 O ASN A 238 91.766 53.412 59.162 1.00 29.36 O +ATOM 1802 CB ASN A 238 92.395 56.046 59.447 1.00 30.40 C +ATOM 1803 CG ASN A 238 93.072 57.394 59.339 1.00 32.50 C +ATOM 1804 OD1 ASN A 238 93.882 57.623 58.435 1.00 33.29 O +ATOM 1805 ND2 ASN A 238 92.725 58.308 60.242 1.00 32.31 N +ATOM 1806 N LEU A 239 90.438 53.731 57.378 1.00 29.98 N +ATOM 1807 CA LEU A 239 89.829 52.408 57.438 1.00 29.50 C +ATOM 1808 C LEU A 239 90.621 51.335 56.718 1.00 29.91 C +ATOM 1809 O LEU A 239 90.277 50.150 56.787 1.00 29.59 O +ATOM 1810 CB LEU A 239 88.419 52.472 56.867 1.00 29.20 C +ATOM 1811 CG LEU A 239 87.452 53.358 57.647 1.00 30.65 C +ATOM 1812 CD1 LEU A 239 86.188 53.574 56.831 1.00 31.67 C +ATOM 1813 CD2 LEU A 239 87.125 52.729 58.998 1.00 30.71 C +ATOM 1814 N TYR A 240 91.674 51.749 56.017 1.00 30.04 N +ATOM 1815 CA TYR A 240 92.498 50.810 55.264 1.00 29.23 C +ATOM 1816 C TYR A 240 93.398 49.934 56.120 1.00 28.84 C +ATOM 1817 O TYR A 240 93.596 50.194 57.313 1.00 28.11 O +ATOM 1818 CB TYR A 240 93.320 51.522 54.185 1.00 28.93 C +ATOM 1819 CG TYR A 240 94.410 52.461 54.673 1.00 28.14 C +ATOM 1820 CD1 TYR A 240 94.125 53.781 55.008 1.00 27.55 C +ATOM 1821 CD2 TYR A 240 95.741 52.056 54.697 1.00 28.80 C +ATOM 1822 CE1 TYR A 240 95.131 54.666 55.340 1.00 26.17 C +ATOM 1823 CE2 TYR A 240 96.757 52.942 55.024 1.00 27.31 C +ATOM 1824 CZ TYR A 240 96.445 54.242 55.338 1.00 26.50 C +ATOM 1825 OH TYR A 240 97.458 55.129 55.597 1.00 25.95 O +ATOM 1826 N ASP A 241 93.973 48.919 55.477 1.00 27.84 N +ATOM 1827 CA ASP A 241 94.845 47.968 56.138 1.00 26.79 C +ATOM 1828 C ASP A 241 96.302 48.394 56.038 1.00 25.76 C +ATOM 1829 O ASP A 241 97.016 47.985 55.133 1.00 25.11 O +ATOM 1830 CB ASP A 241 94.655 46.583 55.530 1.00 26.92 C +ATOM 1831 CG ASP A 241 95.135 45.478 56.446 1.00 27.04 C +ATOM 1832 OD1 ASP A 241 96.124 45.674 57.173 1.00 27.84 O +ATOM 1833 OD2 ASP A 241 94.523 44.397 56.441 1.00 28.94 O +ATOM 1834 N LYS A 242 96.749 49.175 57.014 1.00 25.14 N +ATOM 1835 CA LYS A 242 98.116 49.664 57.047 1.00 23.91 C +ATOM 1836 C LYS A 242 99.159 48.550 57.000 1.00 23.11 C +ATOM 1837 O LYS A 242 99.945 48.486 56.067 1.00 22.67 O +ATOM 1838 CB LYS A 242 98.288 50.589 58.240 1.00 23.25 C +ATOM 1839 CG LYS A 242 97.497 51.850 58.005 1.00 26.34 C +ATOM 1840 CD LYS A 242 97.012 52.549 59.261 1.00 29.46 C +ATOM 1841 CE LYS A 242 96.007 53.645 58.878 1.00 28.39 C +ATOM 1842 NZ LYS A 242 95.718 54.557 60.006 1.00 27.52 N +ATOM 1843 N ALA A 243 99.114 47.629 57.953 1.00 22.35 N +ATOM 1844 CA ALA A 243 100.056 46.524 57.970 1.00 20.11 C +ATOM 1845 C ALA A 243 100.069 45.803 56.619 1.00 19.95 C +ATOM 1846 O ALA A 243 101.119 45.672 55.992 1.00 21.41 O +ATOM 1847 CB ALA A 243 99.700 45.566 59.063 1.00 19.00 C +ATOM 1848 N PHE A 244 98.908 45.363 56.150 1.00 17.97 N +ATOM 1849 CA PHE A 244 98.847 44.651 54.871 1.00 16.88 C +ATOM 1850 C PHE A 244 99.484 45.536 53.804 1.00 17.24 C +ATOM 1851 O PHE A 244 100.489 45.171 53.190 1.00 17.25 O +ATOM 1852 CB PHE A 244 97.394 44.310 54.510 1.00 15.54 C +ATOM 1853 CG PHE A 244 97.257 43.459 53.291 1.00 14.33 C +ATOM 1854 CD1 PHE A 244 97.555 42.112 53.336 1.00 12.42 C +ATOM 1855 CD2 PHE A 244 96.862 44.018 52.076 1.00 15.64 C +ATOM 1856 CE1 PHE A 244 97.473 41.333 52.197 1.00 13.56 C +ATOM 1857 CE2 PHE A 244 96.776 43.240 50.918 1.00 14.37 C +ATOM 1858 CZ PHE A 244 97.084 41.894 50.983 1.00 14.09 C +ATOM 1859 N VAL A 245 98.937 46.736 53.659 1.00 17.49 N +ATOM 1860 CA VAL A 245 99.430 47.710 52.698 1.00 17.35 C +ATOM 1861 C VAL A 245 100.949 47.818 52.731 1.00 16.30 C +ATOM 1862 O VAL A 245 101.603 47.593 51.723 1.00 17.07 O +ATOM 1863 CB VAL A 245 98.752 49.120 52.910 1.00 17.25 C +ATOM 1864 CG1 VAL A 245 99.519 50.222 52.188 1.00 14.61 C +ATOM 1865 CG2 VAL A 245 97.321 49.088 52.370 1.00 15.47 C +ATOM 1866 N ALA A 246 101.504 48.002 53.917 1.00 15.97 N +ATOM 1867 CA ALA A 246 102.940 48.170 54.070 1.00 15.69 C +ATOM 1868 C ALA A 246 103.745 46.940 53.788 1.00 16.45 C +ATOM 1869 O ALA A 246 104.807 47.029 53.185 1.00 17.66 O +ATOM 1870 CB ALA A 246 103.263 48.676 55.456 1.00 14.48 C +ATOM 1871 N SER A 247 103.216 45.784 54.165 1.00 18.19 N +ATOM 1872 CA SER A 247 103.942 44.532 54.004 1.00 18.41 C +ATOM 1873 C SER A 247 103.791 43.812 52.690 1.00 20.15 C +ATOM 1874 O SER A 247 104.724 43.110 52.269 1.00 23.49 O +ATOM 1875 CB SER A 247 103.578 43.558 55.125 1.00 17.05 C +ATOM 1876 OG SER A 247 102.182 43.319 55.179 1.00 16.69 O +ATOM 1877 N ARG A 248 102.648 43.986 52.035 1.00 18.03 N +ATOM 1878 CA ARG A 248 102.394 43.268 50.808 1.00 17.40 C +ATOM 1879 C ARG A 248 102.032 44.094 49.589 1.00 18.86 C +ATOM 1880 O ARG A 248 101.705 43.521 48.542 1.00 18.74 O +ATOM 1881 CB ARG A 248 101.285 42.242 51.053 1.00 17.49 C +ATOM 1882 CG ARG A 248 101.672 40.958 51.767 1.00 14.23 C +ATOM 1883 CD ARG A 248 100.406 40.184 52.080 1.00 14.89 C +ATOM 1884 NE ARG A 248 100.438 38.764 51.724 1.00 14.88 N +ATOM 1885 CZ ARG A 248 100.042 38.262 50.554 1.00 16.42 C +ATOM 1886 NH1 ARG A 248 99.590 39.055 49.595 1.00 15.88 N +ATOM 1887 NH2 ARG A 248 100.047 36.949 50.354 1.00 15.88 N +ATOM 1888 N THR A 249 102.041 45.421 49.699 1.00 20.23 N +ATOM 1889 CA THR A 249 101.693 46.245 48.541 1.00 20.33 C +ATOM 1890 C THR A 249 102.815 47.182 48.098 1.00 20.93 C +ATOM 1891 O THR A 249 103.825 47.326 48.793 1.00 21.17 O +ATOM 1892 CB THR A 249 100.343 47.011 48.739 1.00 20.40 C +ATOM 1893 OG1 THR A 249 100.553 48.261 49.409 1.00 19.53 O +ATOM 1894 CG2 THR A 249 99.361 46.158 49.538 1.00 18.82 C +ATOM 1895 N GLU A 250 102.663 47.738 46.892 1.00 21.60 N +ATOM 1896 CA GLU A 250 103.628 48.664 46.275 1.00 20.86 C +ATOM 1897 C GLU A 250 102.791 49.759 45.592 1.00 21.38 C +ATOM 1898 O GLU A 250 101.701 49.483 45.081 1.00 22.90 O +ATOM 1899 CB GLU A 250 104.437 47.894 45.232 1.00 20.35 C +ATOM 1900 CG GLU A 250 105.579 48.609 44.569 1.00 21.64 C +ATOM 1901 CD GLU A 250 106.847 47.734 44.525 1.00 24.47 C +ATOM 1902 OE1 GLU A 250 106.754 46.554 44.129 1.00 24.53 O +ATOM 1903 OE2 GLU A 250 107.941 48.211 44.915 1.00 25.92 O +ATOM 1904 N GLY A 251 103.240 51.006 45.648 1.00 20.61 N +ATOM 1905 CA GLY A 251 102.491 52.072 44.998 1.00 21.26 C +ATOM 1906 C GLY A 251 101.317 52.738 45.718 1.00 21.18 C +ATOM 1907 O GLY A 251 100.477 53.385 45.083 1.00 20.30 O +ATOM 1908 N PHE A 252 101.265 52.611 47.037 1.00 22.04 N +ATOM 1909 CA PHE A 252 100.203 53.233 47.806 1.00 24.01 C +ATOM 1910 C PHE A 252 100.231 54.754 47.647 1.00 27.33 C +ATOM 1911 O PHE A 252 99.256 55.349 47.192 1.00 29.40 O +ATOM 1912 CB PHE A 252 100.333 52.873 49.284 1.00 22.43 C +ATOM 1913 CG PHE A 252 99.323 53.550 50.166 1.00 21.99 C +ATOM 1914 CD1 PHE A 252 97.969 53.258 50.045 1.00 21.93 C +ATOM 1915 CD2 PHE A 252 99.727 54.474 51.128 1.00 23.55 C +ATOM 1916 CE1 PHE A 252 97.021 53.867 50.869 1.00 23.19 C +ATOM 1917 CE2 PHE A 252 98.789 55.097 51.966 1.00 24.79 C +ATOM 1918 CZ PHE A 252 97.426 54.791 51.833 1.00 25.02 C +ATOM 1919 N GLU A 253 101.352 55.380 48.002 1.00 28.84 N +ATOM 1920 CA GLU A 253 101.476 56.828 47.914 1.00 30.78 C +ATOM 1921 C GLU A 253 100.919 57.441 46.636 1.00 31.46 C +ATOM 1922 O GLU A 253 100.051 58.331 46.686 1.00 31.76 O +ATOM 1923 CB GLU A 253 102.932 57.283 48.078 1.00 32.72 C +ATOM 1924 CG GLU A 253 103.610 56.861 49.379 1.00 37.76 C +ATOM 1925 CD GLU A 253 102.759 57.126 50.620 1.00 39.57 C +ATOM 1926 OE1 GLU A 253 102.169 58.224 50.735 1.00 39.71 O +ATOM 1927 OE2 GLU A 253 102.690 56.225 51.487 1.00 41.03 O +ATOM 1928 N GLU A 254 101.397 56.966 45.493 1.00 30.88 N +ATOM 1929 CA GLU A 254 100.951 57.529 44.232 1.00 31.97 C +ATOM 1930 C GLU A 254 99.442 57.381 44.042 1.00 31.34 C +ATOM 1931 O GLU A 254 98.796 58.247 43.441 1.00 31.01 O +ATOM 1932 CB GLU A 254 101.779 56.974 43.054 1.00 34.67 C +ATOM 1933 CG GLU A 254 103.311 57.346 43.076 1.00 39.39 C +ATOM 1934 CD GLU A 254 103.638 58.849 42.722 1.00 43.39 C +ATOM 1935 OE1 GLU A 254 102.882 59.786 43.119 1.00 44.62 O +ATOM 1936 OE2 GLU A 254 104.683 59.097 42.061 1.00 42.04 O +ATOM 1937 N TYR A 255 98.874 56.329 44.627 1.00 31.44 N +ATOM 1938 CA TYR A 255 97.434 56.070 44.549 1.00 31.14 C +ATOM 1939 C TYR A 255 96.728 57.047 45.473 1.00 32.01 C +ATOM 1940 O TYR A 255 95.698 57.603 45.126 1.00 32.57 O +ATOM 1941 CB TYR A 255 97.118 54.629 44.984 1.00 28.69 C +ATOM 1942 CG TYR A 255 95.638 54.310 45.124 1.00 27.03 C +ATOM 1943 CD1 TYR A 255 94.878 53.967 44.013 1.00 26.25 C +ATOM 1944 CD2 TYR A 255 95.000 54.352 46.366 1.00 25.45 C +ATOM 1945 CE1 TYR A 255 93.531 53.679 44.129 1.00 25.30 C +ATOM 1946 CE2 TYR A 255 93.640 54.064 46.490 1.00 24.47 C +ATOM 1947 CZ TYR A 255 92.911 53.731 45.364 1.00 24.89 C +ATOM 1948 OH TYR A 255 91.559 53.457 45.438 1.00 25.02 O +ATOM 1949 N ARG A 256 97.312 57.252 46.647 1.00 34.04 N +ATOM 1950 CA ARG A 256 96.789 58.153 47.672 1.00 35.46 C +ATOM 1951 C ARG A 256 96.515 59.531 47.057 1.00 35.71 C +ATOM 1952 O ARG A 256 95.433 60.106 47.255 1.00 35.85 O +ATOM 1953 CB ARG A 256 97.820 58.252 48.803 1.00 37.76 C +ATOM 1954 CG ARG A 256 97.385 58.948 50.077 1.00 40.57 C +ATOM 1955 CD ARG A 256 98.579 59.124 51.051 1.00 43.97 C +ATOM 1956 NE ARG A 256 99.422 60.303 50.781 1.00 46.83 N +ATOM 1957 CZ ARG A 256 100.371 60.386 49.842 1.00 47.79 C +ATOM 1958 NH1 ARG A 256 100.628 59.361 49.042 1.00 46.84 N +ATOM 1959 NH2 ARG A 256 101.089 61.498 49.715 1.00 47.58 N +ATOM 1960 N LYS A 257 97.470 60.024 46.262 1.00 35.48 N +ATOM 1961 CA LYS A 257 97.340 61.324 45.602 1.00 34.33 C +ATOM 1962 C LYS A 257 96.086 61.468 44.744 1.00 34.36 C +ATOM 1963 O LYS A 257 95.316 62.419 44.930 1.00 35.57 O +ATOM 1964 CB LYS A 257 98.549 61.623 44.719 1.00 33.54 C +ATOM 1965 CG LYS A 257 99.720 62.264 45.419 1.00 35.18 C +ATOM 1966 CD LYS A 257 100.578 61.249 46.172 1.00 37.36 C +ATOM 1967 CE LYS A 257 101.945 61.835 46.543 1.00 36.56 C +ATOM 1968 NZ LYS A 257 102.704 60.935 47.446 1.00 36.67 N +ATOM 1969 N ILE A 258 95.872 60.534 43.815 1.00 32.58 N +ATOM 1970 CA ILE A 258 94.719 60.623 42.920 1.00 31.23 C +ATOM 1971 C ILE A 258 93.363 60.492 43.598 1.00 30.54 C +ATOM 1972 O ILE A 258 92.355 60.953 43.060 1.00 30.22 O +ATOM 1973 CB ILE A 258 94.782 59.628 41.747 1.00 30.58 C +ATOM 1974 CG1 ILE A 258 96.188 59.553 41.193 1.00 30.04 C +ATOM 1975 CG2 ILE A 258 93.929 60.138 40.602 1.00 30.09 C +ATOM 1976 CD1 ILE A 258 96.269 58.733 39.941 1.00 32.91 C +ATOM 1977 N VAL A 259 93.311 59.859 44.761 1.00 29.41 N +ATOM 1978 CA VAL A 259 92.026 59.739 45.427 1.00 29.68 C +ATOM 1979 C VAL A 259 91.748 60.950 46.324 1.00 31.11 C +ATOM 1980 O VAL A 259 90.586 61.338 46.538 1.00 30.19 O +ATOM 1981 CB VAL A 259 91.856 58.389 46.182 1.00 26.70 C +ATOM 1982 CG1 VAL A 259 92.051 57.233 45.221 1.00 25.24 C +ATOM 1983 CG2 VAL A 259 92.787 58.293 47.359 1.00 26.32 C +ATOM 1984 N GLU A 260 92.817 61.593 46.793 1.00 32.73 N +ATOM 1985 CA GLU A 260 92.673 62.761 47.668 1.00 33.37 C +ATOM 1986 C GLU A 260 91.786 63.765 46.962 1.00 32.00 C +ATOM 1987 O GLU A 260 90.930 64.399 47.568 1.00 31.96 O +ATOM 1988 CB GLU A 260 94.036 63.403 47.985 1.00 34.54 C +ATOM 1989 CG GLU A 260 93.990 64.230 49.274 1.00 37.56 C +ATOM 1990 CD GLU A 260 95.188 65.134 49.500 1.00 38.60 C +ATOM 1991 OE1 GLU A 260 96.134 65.120 48.684 1.00 40.54 O +ATOM 1992 OE2 GLU A 260 95.170 65.870 50.507 1.00 38.75 O +ATOM 1993 N GLY A 261 91.973 63.847 45.653 1.00 31.76 N +ATOM 1994 CA GLY A 261 91.199 64.753 44.841 1.00 30.78 C +ATOM 1995 C GLY A 261 89.765 64.311 44.815 1.00 30.13 C +ATOM 1996 O GLY A 261 88.895 65.041 45.262 1.00 31.91 O +ATOM 1997 N TYR A 262 89.530 63.086 44.365 1.00 29.66 N +ATOM 1998 CA TYR A 262 88.181 62.540 44.260 1.00 28.86 C +ATOM 1999 C TYR A 262 87.413 62.380 45.566 1.00 28.71 C +ATOM 2000 O TYR A 262 87.249 61.273 46.062 1.00 30.30 O +ATOM 2001 CB TYR A 262 88.212 61.203 43.531 1.00 27.27 C +ATOM 2002 CG TYR A 262 88.567 61.298 42.080 1.00 25.10 C +ATOM 2003 CD1 TYR A 262 89.870 61.557 41.677 1.00 25.01 C +ATOM 2004 CD2 TYR A 262 87.608 61.073 41.103 1.00 23.85 C +ATOM 2005 CE1 TYR A 262 90.215 61.580 40.320 1.00 25.67 C +ATOM 2006 CE2 TYR A 262 87.935 61.096 39.752 1.00 23.68 C +ATOM 2007 CZ TYR A 262 89.238 61.346 39.365 1.00 24.59 C +ATOM 2008 OH TYR A 262 89.553 61.359 38.028 1.00 24.63 O +ATOM 2009 N THR A 263 86.934 63.485 46.113 1.00 28.84 N +ATOM 2010 CA THR A 263 86.154 63.466 47.342 1.00 29.42 C +ATOM 2011 C THR A 263 84.729 63.016 46.971 1.00 29.53 C +ATOM 2012 O THR A 263 84.268 63.235 45.857 1.00 30.12 O +ATOM 2013 CB THR A 263 86.120 64.881 47.974 1.00 30.09 C +ATOM 2014 OG1 THR A 263 85.338 65.765 47.158 1.00 32.06 O +ATOM 2015 CG2 THR A 263 87.524 65.452 48.050 1.00 29.74 C +ATOM 2016 N PRO A 264 84.001 62.413 47.905 1.00 29.77 N +ATOM 2017 CA PRO A 264 82.640 61.967 47.594 1.00 30.60 C +ATOM 2018 C PRO A 264 81.844 63.050 46.875 1.00 30.50 C +ATOM 2019 O PRO A 264 81.187 62.807 45.858 1.00 30.19 O +ATOM 2020 CB PRO A 264 82.056 61.692 48.982 1.00 31.50 C +ATOM 2021 CG PRO A 264 83.243 61.207 49.743 1.00 32.40 C +ATOM 2022 CD PRO A 264 84.327 62.177 49.321 1.00 31.36 C +ATOM 2023 N GLU A 265 81.973 64.269 47.383 1.00 31.18 N +ATOM 2024 CA GLU A 265 81.272 65.414 46.838 1.00 30.39 C +ATOM 2025 C GLU A 265 81.618 65.756 45.402 1.00 30.72 C +ATOM 2026 O GLU A 265 80.722 65.978 44.604 1.00 31.30 O +ATOM 2027 CB GLU A 265 81.467 66.618 47.734 1.00 29.48 C +ATOM 2028 CG GLU A 265 80.746 66.506 49.066 1.00 31.87 C +ATOM 2029 CD GLU A 265 81.424 65.572 50.078 1.00 33.16 C +ATOM 2030 OE1 GLU A 265 82.662 65.362 50.001 1.00 33.76 O +ATOM 2031 OE2 GLU A 265 80.707 65.082 50.978 1.00 31.66 O +ATOM 2032 N SER A 266 82.899 65.753 45.050 1.00 31.04 N +ATOM 2033 CA SER A 266 83.286 66.085 43.687 1.00 32.28 C +ATOM 2034 C SER A 266 82.741 65.072 42.694 1.00 35.11 C +ATOM 2035 O SER A 266 82.713 65.327 41.484 1.00 36.35 O +ATOM 2036 CB SER A 266 84.806 66.181 43.558 1.00 31.48 C +ATOM 2037 OG SER A 266 85.429 64.939 43.811 1.00 31.01 O +ATOM 2038 N VAL A 267 82.244 63.948 43.210 1.00 37.47 N +ATOM 2039 CA VAL A 267 81.716 62.889 42.357 1.00 38.58 C +ATOM 2040 C VAL A 267 80.198 62.918 42.146 1.00 38.70 C +ATOM 2041 O VAL A 267 79.718 62.525 41.083 1.00 39.17 O +ATOM 2042 CB VAL A 267 82.161 61.521 42.868 1.00 38.77 C +ATOM 2043 CG1 VAL A 267 82.100 60.525 41.763 1.00 40.07 C +ATOM 2044 CG2 VAL A 267 83.580 61.598 43.368 1.00 40.39 C +ATOM 2045 N GLU A 268 79.461 63.369 43.157 1.00 39.67 N +ATOM 2046 CA GLU A 268 77.990 63.498 43.136 1.00 41.45 C +ATOM 2047 C GLU A 268 77.291 63.457 41.762 1.00 41.81 C +ATOM 2048 O GLU A 268 76.488 62.582 41.481 1.00 42.19 O +ATOM 2049 CB GLU A 268 77.591 64.827 43.795 1.00 42.23 C +ATOM 2050 CG GLU A 268 76.517 64.744 44.844 1.00 42.30 C +ATOM 2051 CD GLU A 268 77.087 64.574 46.227 1.00 43.21 C +ATOM 2052 OE1 GLU A 268 78.196 64.012 46.325 1.00 45.70 O +ATOM 2053 OE2 GLU A 268 76.433 64.986 47.216 1.00 42.88 O +ATOM 2054 N ASP A 269 77.590 64.432 40.917 1.00 42.25 N +ATOM 2055 CA ASP A 269 76.959 64.527 39.610 1.00 42.45 C +ATOM 2056 C ASP A 269 77.390 63.497 38.568 1.00 41.95 C +ATOM 2057 O ASP A 269 76.545 62.989 37.830 1.00 42.81 O +ATOM 2058 CB ASP A 269 77.090 65.959 39.064 1.00 42.81 C +ATOM 2059 CG ASP A 269 76.425 66.993 39.975 1.00 44.37 C +ATOM 2060 OD1 ASP A 269 75.750 66.592 40.962 1.00 43.52 O +ATOM 2061 OD2 ASP A 269 76.582 68.210 39.709 1.00 44.90 O +ATOM 2062 N ILE A 270 78.689 63.207 38.475 1.00 40.35 N +ATOM 2063 CA ILE A 270 79.158 62.231 37.495 1.00 38.06 C +ATOM 2064 C ILE A 270 78.607 60.855 37.838 1.00 37.00 C +ATOM 2065 O ILE A 270 78.029 60.194 36.986 1.00 36.99 O +ATOM 2066 CB ILE A 270 80.713 62.183 37.388 1.00 38.21 C +ATOM 2067 CG1 ILE A 270 81.237 63.416 36.641 1.00 37.43 C +ATOM 2068 CG2 ILE A 270 81.171 60.913 36.656 1.00 37.71 C +ATOM 2069 CD1 ILE A 270 82.738 63.364 36.333 1.00 35.11 C +ATOM 2070 N THR A 271 78.770 60.427 39.083 1.00 35.63 N +ATOM 2071 CA THR A 271 78.255 59.119 39.465 1.00 35.37 C +ATOM 2072 C THR A 271 76.752 59.106 39.573 1.00 33.56 C +ATOM 2073 O THR A 271 76.132 58.072 39.432 1.00 33.09 O +ATOM 2074 CB THR A 271 78.810 58.591 40.841 1.00 36.74 C +ATOM 2075 OG1 THR A 271 78.607 59.551 41.896 1.00 35.56 O +ATOM 2076 CG2 THR A 271 80.266 58.216 40.723 1.00 37.11 C +ATOM 2077 N GLY A 272 76.169 60.255 39.856 1.00 33.25 N +ATOM 2078 CA GLY A 272 74.737 60.302 40.049 1.00 32.70 C +ATOM 2079 C GLY A 272 74.438 59.657 41.401 1.00 32.40 C +ATOM 2080 O GLY A 272 73.296 59.277 41.678 1.00 33.89 O +ATOM 2081 N VAL A 273 75.465 59.498 42.234 1.00 30.22 N +ATOM 2082 CA VAL A 273 75.289 58.910 43.558 1.00 30.57 C +ATOM 2083 C VAL A 273 75.691 59.957 44.600 1.00 31.12 C +ATOM 2084 O VAL A 273 76.596 60.768 44.370 1.00 32.90 O +ATOM 2085 CB VAL A 273 76.118 57.603 43.733 1.00 29.83 C +ATOM 2086 CG1 VAL A 273 75.880 57.001 45.104 1.00 28.06 C +ATOM 2087 CG2 VAL A 273 75.735 56.592 42.661 1.00 29.69 C +ATOM 2088 N SER A 274 75.028 59.947 45.748 1.00 30.47 N +ATOM 2089 CA SER A 274 75.314 60.937 46.772 1.00 30.10 C +ATOM 2090 C SER A 274 76.518 60.617 47.628 1.00 30.14 C +ATOM 2091 O SER A 274 76.686 59.487 48.089 1.00 30.51 O +ATOM 2092 CB SER A 274 74.103 61.136 47.664 1.00 29.51 C +ATOM 2093 OG SER A 274 73.823 59.941 48.357 1.00 31.37 O +ATOM 2094 N ALA A 275 77.281 61.661 47.932 1.00 29.98 N +ATOM 2095 CA ALA A 275 78.479 61.558 48.747 1.00 29.88 C +ATOM 2096 C ALA A 275 78.306 60.608 49.922 1.00 30.09 C +ATOM 2097 O ALA A 275 79.223 59.850 50.249 1.00 30.90 O +ATOM 2098 CB ALA A 275 78.891 62.926 49.230 1.00 28.95 C +ATOM 2099 N SER A 276 77.114 60.610 50.510 1.00 31.04 N +ATOM 2100 CA SER A 276 76.809 59.748 51.651 1.00 32.49 C +ATOM 2101 C SER A 276 76.906 58.280 51.301 1.00 31.65 C +ATOM 2102 O SER A 276 77.662 57.545 51.938 1.00 31.71 O +ATOM 2103 CB SER A 276 75.415 60.033 52.220 1.00 33.99 C +ATOM 2104 OG SER A 276 74.396 59.788 51.261 1.00 37.95 O +ATOM 2105 N GLU A 277 76.128 57.849 50.312 1.00 31.20 N +ATOM 2106 CA GLU A 277 76.153 56.453 49.894 1.00 31.58 C +ATOM 2107 C GLU A 277 77.605 56.042 49.666 1.00 30.71 C +ATOM 2108 O GLU A 277 78.050 55.033 50.209 1.00 29.68 O +ATOM 2109 CB GLU A 277 75.385 56.248 48.596 1.00 32.84 C +ATOM 2110 CG GLU A 277 73.907 56.461 48.659 1.00 34.26 C +ATOM 2111 CD GLU A 277 73.261 56.248 47.288 1.00 37.49 C +ATOM 2112 OE1 GLU A 277 73.231 55.080 46.810 1.00 38.46 O +ATOM 2113 OE2 GLU A 277 72.816 57.253 46.676 1.00 37.08 O +ATOM 2114 N ILE A 278 78.341 56.852 48.895 1.00 30.64 N +ATOM 2115 CA ILE A 278 79.753 56.591 48.592 1.00 29.88 C +ATOM 2116 C ILE A 278 80.537 56.335 49.869 1.00 30.86 C +ATOM 2117 O ILE A 278 81.337 55.390 49.923 1.00 29.10 O +ATOM 2118 CB ILE A 278 80.413 57.750 47.833 1.00 28.18 C +ATOM 2119 CG1 ILE A 278 79.770 57.924 46.457 1.00 26.99 C +ATOM 2120 CG2 ILE A 278 81.878 57.473 47.652 1.00 28.65 C +ATOM 2121 CD1 ILE A 278 80.482 58.936 45.571 1.00 24.25 C +ATOM 2122 N ARG A 279 80.261 57.154 50.892 1.00 32.68 N +ATOM 2123 CA ARG A 279 80.890 57.047 52.217 1.00 34.97 C +ATOM 2124 C ARG A 279 80.475 55.775 52.952 1.00 35.56 C +ATOM 2125 O ARG A 279 81.306 55.061 53.495 1.00 35.85 O +ATOM 2126 CB ARG A 279 80.492 58.221 53.106 1.00 36.29 C +ATOM 2127 CG ARG A 279 81.235 59.513 52.883 1.00 38.75 C +ATOM 2128 CD ARG A 279 80.846 60.498 53.980 1.00 40.34 C +ATOM 2129 NE ARG A 279 80.904 61.886 53.530 1.00 43.42 N +ATOM 2130 CZ ARG A 279 81.989 62.470 53.023 1.00 44.95 C +ATOM 2131 NH1 ARG A 279 83.131 61.798 52.887 1.00 44.52 N +ATOM 2132 NH2 ARG A 279 81.935 63.744 52.665 1.00 45.91 N +ATOM 2133 N GLN A 280 79.174 55.545 53.019 1.00 35.55 N +ATOM 2134 CA GLN A 280 78.612 54.384 53.676 1.00 36.40 C +ATOM 2135 C GLN A 280 79.005 53.079 52.989 1.00 35.83 C +ATOM 2136 O GLN A 280 79.072 52.033 53.636 1.00 36.39 O +ATOM 2137 CB GLN A 280 77.087 54.521 53.699 1.00 39.76 C +ATOM 2138 CG GLN A 280 76.316 53.244 54.046 1.00 43.24 C +ATOM 2139 CD GLN A 280 74.808 53.434 54.002 1.00 44.86 C +ATOM 2140 OE1 GLN A 280 74.051 52.461 54.050 1.00 46.34 O +ATOM 2141 NE2 GLN A 280 74.360 54.691 53.912 1.00 45.69 N +ATOM 2142 N ALA A 281 79.249 53.135 51.682 1.00 34.63 N +ATOM 2143 CA ALA A 281 79.616 51.943 50.915 1.00 32.95 C +ATOM 2144 C ALA A 281 81.079 51.595 51.144 1.00 31.72 C +ATOM 2145 O ALA A 281 81.417 50.446 51.418 1.00 31.23 O +ATOM 2146 CB ALA A 281 79.352 52.158 49.429 1.00 31.76 C +ATOM 2147 N ALA A 282 81.944 52.600 51.027 1.00 30.93 N +ATOM 2148 CA ALA A 282 83.374 52.406 51.223 1.00 28.58 C +ATOM 2149 C ALA A 282 83.553 51.988 52.668 1.00 27.02 C +ATOM 2150 O ALA A 282 84.248 51.020 52.961 1.00 26.90 O +ATOM 2151 CB ALA A 282 84.124 53.694 50.928 1.00 28.75 C +ATOM 2152 N ARG A 283 82.864 52.696 53.556 1.00 25.79 N +ATOM 2153 CA ARG A 283 82.887 52.415 54.984 1.00 25.16 C +ATOM 2154 C ARG A 283 82.455 50.972 55.216 1.00 24.74 C +ATOM 2155 O ARG A 283 83.076 50.246 55.989 1.00 25.32 O +ATOM 2156 CB ARG A 283 81.892 53.314 55.723 1.00 25.91 C +ATOM 2157 CG ARG A 283 82.345 54.715 56.075 1.00 26.93 C +ATOM 2158 CD ARG A 283 81.704 55.062 57.406 1.00 30.14 C +ATOM 2159 NE ARG A 283 81.870 56.442 57.831 1.00 31.57 N +ATOM 2160 CZ ARG A 283 81.368 57.487 57.187 1.00 34.22 C +ATOM 2161 NH1 ARG A 283 80.676 57.324 56.068 1.00 34.70 N +ATOM 2162 NH2 ARG A 283 81.506 58.700 57.705 1.00 36.45 N +ATOM 2163 N MET A 284 81.375 50.571 54.556 1.00 23.43 N +ATOM 2164 CA MET A 284 80.860 49.226 54.707 1.00 23.90 C +ATOM 2165 C MET A 284 81.887 48.202 54.236 1.00 23.90 C +ATOM 2166 O MET A 284 82.337 47.371 55.025 1.00 25.22 O +ATOM 2167 CB MET A 284 79.520 49.048 53.955 1.00 24.99 C +ATOM 2168 CG MET A 284 78.466 48.217 54.733 1.00 27.34 C +ATOM 2169 SD MET A 284 76.968 47.679 53.840 1.00 28.58 S +ATOM 2170 CE MET A 284 75.864 49.048 54.217 1.00 28.21 C +ATOM 2171 N TYR A 285 82.293 48.298 52.971 1.00 23.36 N +ATOM 2172 CA TYR A 285 83.260 47.373 52.375 1.00 22.84 C +ATOM 2173 C TYR A 285 84.505 47.171 53.232 1.00 22.82 C +ATOM 2174 O TYR A 285 84.869 46.042 53.549 1.00 21.44 O +ATOM 2175 CB TYR A 285 83.651 47.845 50.970 1.00 21.62 C +ATOM 2176 CG TYR A 285 84.747 47.020 50.331 1.00 21.39 C +ATOM 2177 CD1 TYR A 285 84.492 45.736 49.846 1.00 20.54 C +ATOM 2178 CD2 TYR A 285 86.052 47.514 50.247 1.00 22.33 C +ATOM 2179 CE1 TYR A 285 85.510 44.962 49.300 1.00 22.17 C +ATOM 2180 CE2 TYR A 285 87.083 46.749 49.703 1.00 23.00 C +ATOM 2181 CZ TYR A 285 86.812 45.473 49.235 1.00 23.40 C +ATOM 2182 OH TYR A 285 87.852 44.707 48.749 1.00 22.80 O +ATOM 2183 N ALA A 286 85.128 48.280 53.618 1.00 24.60 N +ATOM 2184 CA ALA A 286 86.335 48.284 54.440 1.00 25.21 C +ATOM 2185 C ALA A 286 86.101 47.718 55.833 1.00 25.89 C +ATOM 2186 O ALA A 286 87.048 47.301 56.502 1.00 27.07 O +ATOM 2187 CB ALA A 286 86.872 49.697 54.559 1.00 25.02 C +ATOM 2188 N GLN A 287 84.853 47.718 56.288 1.00 25.20 N +ATOM 2189 CA GLN A 287 84.567 47.216 57.615 1.00 23.95 C +ATOM 2190 C GLN A 287 84.361 45.706 57.720 1.00 22.83 C +ATOM 2191 O GLN A 287 84.579 45.125 58.787 1.00 23.03 O +ATOM 2192 CB GLN A 287 83.410 47.991 58.238 1.00 25.41 C +ATOM 2193 CG GLN A 287 83.825 48.892 59.413 1.00 30.79 C +ATOM 2194 CD GLN A 287 84.408 50.252 59.004 1.00 34.09 C +ATOM 2195 OE1 GLN A 287 83.884 51.316 59.389 1.00 33.40 O +ATOM 2196 NE2 GLN A 287 85.521 50.226 58.265 1.00 35.30 N +ATOM 2197 N ALA A 288 83.972 45.060 56.626 1.00 21.67 N +ATOM 2198 CA ALA A 288 83.756 43.607 56.638 1.00 20.96 C +ATOM 2199 C ALA A 288 85.041 42.892 57.007 1.00 21.35 C +ATOM 2200 O ALA A 288 86.087 43.238 56.467 1.00 22.56 O +ATOM 2201 CB ALA A 288 83.312 43.141 55.285 1.00 20.72 C +ATOM 2202 N LYS A 289 84.982 41.910 57.915 1.00 20.95 N +ATOM 2203 CA LYS A 289 86.192 41.169 58.292 1.00 19.68 C +ATOM 2204 C LYS A 289 86.792 40.574 57.016 1.00 19.10 C +ATOM 2205 O LYS A 289 88.004 40.519 56.854 1.00 19.45 O +ATOM 2206 CB LYS A 289 85.885 40.059 59.299 1.00 21.45 C +ATOM 2207 CG LYS A 289 85.333 40.522 60.642 1.00 26.93 C +ATOM 2208 CD LYS A 289 84.721 39.343 61.451 1.00 30.93 C +ATOM 2209 CE LYS A 289 84.111 39.771 62.810 1.00 33.75 C +ATOM 2210 NZ LYS A 289 85.075 39.866 63.981 1.00 34.73 N +ATOM 2211 N SER A 290 85.923 40.125 56.119 1.00 17.94 N +ATOM 2212 CA SER A 290 86.316 39.569 54.838 1.00 16.95 C +ATOM 2213 C SER A 290 85.266 40.061 53.879 1.00 17.90 C +ATOM 2214 O SER A 290 84.074 39.955 54.183 1.00 19.76 O +ATOM 2215 CB SER A 290 86.290 38.057 54.882 1.00 17.12 C +ATOM 2216 OG SER A 290 87.420 37.580 55.587 1.00 21.01 O +ATOM 2217 N ALA A 291 85.693 40.637 52.756 1.00 16.88 N +ATOM 2218 CA ALA A 291 84.780 41.163 51.743 1.00 16.06 C +ATOM 2219 C ALA A 291 85.277 40.715 50.389 1.00 15.25 C +ATOM 2220 O ALA A 291 86.470 40.794 50.127 1.00 18.00 O +ATOM 2221 CB ALA A 291 84.760 42.681 51.814 1.00 17.69 C +ATOM 2222 N ALA A 292 84.398 40.232 49.527 1.00 14.24 N +ATOM 2223 CA ALA A 292 84.837 39.767 48.219 1.00 13.66 C +ATOM 2224 C ALA A 292 84.226 40.560 47.091 1.00 13.61 C +ATOM 2225 O ALA A 292 83.019 40.837 47.105 1.00 13.11 O +ATOM 2226 CB ALA A 292 84.510 38.279 48.033 1.00 14.95 C +ATOM 2227 N ILE A 293 85.051 40.883 46.092 1.00 12.18 N +ATOM 2228 CA ILE A 293 84.586 41.629 44.935 1.00 11.45 C +ATOM 2229 C ILE A 293 84.214 40.707 43.769 1.00 11.17 C +ATOM 2230 O ILE A 293 85.070 39.970 43.278 1.00 11.56 O +ATOM 2231 CB ILE A 293 85.645 42.660 44.465 1.00 10.14 C +ATOM 2232 CG1 ILE A 293 85.862 43.714 45.558 1.00 10.83 C +ATOM 2233 CG2 ILE A 293 85.186 43.334 43.182 1.00 8.68 C +ATOM 2234 CD1 ILE A 293 86.958 44.740 45.271 1.00 11.51 C +ATOM 2235 N LEU A 294 82.937 40.676 43.388 1.00 9.09 N +ATOM 2236 CA LEU A 294 82.531 39.876 42.241 1.00 9.51 C +ATOM 2237 C LEU A 294 82.194 40.903 41.177 1.00 10.70 C +ATOM 2238 O LEU A 294 81.353 41.797 41.413 1.00 11.33 O +ATOM 2239 CB LEU A 294 81.299 39.028 42.529 1.00 10.99 C +ATOM 2240 CG LEU A 294 81.241 38.175 43.800 1.00 12.77 C +ATOM 2241 CD1 LEU A 294 79.877 37.527 43.840 1.00 12.77 C +ATOM 2242 CD2 LEU A 294 82.329 37.124 43.827 1.00 13.30 C +ATOM 2243 N TRP A 295 82.850 40.809 40.019 1.00 10.09 N +ATOM 2244 CA TRP A 295 82.596 41.772 38.942 1.00 10.78 C +ATOM 2245 C TRP A 295 82.512 41.100 37.581 1.00 10.60 C +ATOM 2246 O TRP A 295 82.896 39.937 37.436 1.00 11.66 O +ATOM 2247 CB TRP A 295 83.654 42.897 38.955 1.00 10.75 C +ATOM 2248 CG TRP A 295 84.993 42.577 38.331 1.00 9.80 C +ATOM 2249 CD1 TRP A 295 85.250 42.343 37.003 1.00 9.47 C +ATOM 2250 CD2 TRP A 295 86.259 42.536 38.996 1.00 8.98 C +ATOM 2251 NE1 TRP A 295 86.601 42.172 36.807 1.00 10.31 N +ATOM 2252 CE2 TRP A 295 87.245 42.283 38.012 1.00 9.55 C +ATOM 2253 CE3 TRP A 295 86.660 42.694 40.323 1.00 10.15 C +ATOM 2254 CZ2 TRP A 295 88.608 42.187 38.317 1.00 8.66 C +ATOM 2255 CZ3 TRP A 295 88.027 42.599 40.627 1.00 10.43 C +ATOM 2256 CH2 TRP A 295 88.980 42.348 39.622 1.00 9.02 C +ATOM 2257 N GLY A 296 82.041 41.837 36.582 1.00 11.23 N +ATOM 2258 CA GLY A 296 81.909 41.259 35.251 1.00 13.08 C +ATOM 2259 C GLY A 296 82.094 42.195 34.063 1.00 13.69 C +ATOM 2260 O GLY A 296 83.113 42.881 33.939 1.00 11.26 O +ATOM 2261 N MET A 297 81.091 42.231 33.190 1.00 14.95 N +ATOM 2262 CA MET A 297 81.143 43.069 31.986 1.00 16.36 C +ATOM 2263 C MET A 297 80.776 44.552 32.165 1.00 15.69 C +ATOM 2264 O MET A 297 81.013 45.365 31.275 1.00 16.13 O +ATOM 2265 CB MET A 297 80.302 42.446 30.866 1.00 17.96 C +ATOM 2266 CG MET A 297 80.618 40.982 30.588 1.00 18.53 C +ATOM 2267 SD MET A 297 82.411 40.607 30.457 1.00 20.12 S +ATOM 2268 CE MET A 297 82.496 40.660 28.706 1.00 18.51 C +ATOM 2269 N GLY A 298 80.222 44.909 33.316 1.00 15.30 N +ATOM 2270 CA GLY A 298 79.885 46.292 33.562 1.00 14.75 C +ATOM 2271 C GLY A 298 81.185 47.026 33.797 1.00 16.41 C +ATOM 2272 O GLY A 298 81.222 48.260 33.935 1.00 18.49 O +ATOM 2273 N VAL A 299 82.261 46.248 33.876 1.00 15.84 N +ATOM 2274 CA VAL A 299 83.600 46.769 34.088 1.00 14.06 C +ATOM 2275 C VAL A 299 84.431 46.655 32.807 1.00 15.54 C +ATOM 2276 O VAL A 299 84.796 47.647 32.172 1.00 16.27 O +ATOM 2277 CB VAL A 299 84.305 45.980 35.233 1.00 11.39 C +ATOM 2278 CG1 VAL A 299 85.780 46.332 35.326 1.00 11.32 C +ATOM 2279 CG2 VAL A 299 83.626 46.262 36.549 1.00 10.66 C +ATOM 2280 N THR A 300 84.651 45.425 32.392 1.00 16.80 N +ATOM 2281 CA THR A 300 85.489 45.151 31.256 1.00 19.29 C +ATOM 2282 C THR A 300 85.115 45.726 29.904 1.00 22.11 C +ATOM 2283 O THR A 300 85.977 46.251 29.191 1.00 23.00 O +ATOM 2284 CB THR A 300 85.761 43.642 31.170 1.00 18.27 C +ATOM 2285 OG1 THR A 300 84.515 42.926 31.177 1.00 20.68 O +ATOM 2286 CG2 THR A 300 86.595 43.202 32.365 1.00 14.87 C +ATOM 2287 N GLN A 301 83.838 45.680 29.559 1.00 25.80 N +ATOM 2288 CA GLN A 301 83.400 46.172 28.248 1.00 29.70 C +ATOM 2289 C GLN A 301 83.249 47.681 28.059 1.00 30.69 C +ATOM 2290 O GLN A 301 82.346 48.162 27.358 1.00 29.90 O +ATOM 2291 CB GLN A 301 82.163 45.404 27.790 1.00 30.61 C +ATOM 2292 CG GLN A 301 82.530 43.963 27.501 1.00 31.60 C +ATOM 2293 CD GLN A 301 81.367 43.137 27.056 1.00 32.73 C +ATOM 2294 OE1 GLN A 301 80.215 43.428 27.400 1.00 32.27 O +ATOM 2295 NE2 GLN A 301 81.655 42.084 26.288 1.00 31.63 N +ATOM 2296 N PHE A 302 84.195 48.389 28.664 1.00 31.62 N +ATOM 2297 CA PHE A 302 84.318 49.830 28.630 1.00 32.71 C +ATOM 2298 C PHE A 302 85.814 50.020 28.362 1.00 34.52 C +ATOM 2299 O PHE A 302 86.633 49.426 29.065 1.00 36.53 O +ATOM 2300 CB PHE A 302 83.981 50.409 30.001 1.00 32.05 C +ATOM 2301 CG PHE A 302 82.501 50.624 30.246 1.00 31.43 C +ATOM 2302 CD1 PHE A 302 81.801 51.615 29.555 1.00 30.67 C +ATOM 2303 CD2 PHE A 302 81.840 49.922 31.248 1.00 28.61 C +ATOM 2304 CE1 PHE A 302 80.482 51.905 29.866 1.00 28.50 C +ATOM 2305 CE2 PHE A 302 80.530 50.210 31.560 1.00 27.41 C +ATOM 2306 CZ PHE A 302 79.849 51.204 30.873 1.00 28.48 C +ATOM 2307 N TYR A 303 86.183 50.850 27.383 1.00 34.72 N +ATOM 2308 CA TYR A 303 87.596 51.061 27.053 1.00 32.97 C +ATOM 2309 C TYR A 303 88.486 51.478 28.238 1.00 30.58 C +ATOM 2310 O TYR A 303 89.680 51.191 28.252 1.00 30.48 O +ATOM 2311 CB TYR A 303 87.739 51.991 25.832 1.00 36.19 C +ATOM 2312 CG TYR A 303 88.149 53.410 26.121 1.00 39.19 C +ATOM 2313 CD1 TYR A 303 87.287 54.281 26.797 1.00 42.46 C +ATOM 2314 CD2 TYR A 303 89.418 53.875 25.767 1.00 40.25 C +ATOM 2315 CE1 TYR A 303 87.683 55.590 27.128 1.00 42.26 C +ATOM 2316 CE2 TYR A 303 89.823 55.166 26.092 1.00 41.74 C +ATOM 2317 CZ TYR A 303 88.947 56.016 26.778 1.00 42.87 C +ATOM 2318 OH TYR A 303 89.344 57.277 27.152 1.00 45.82 O +ATOM 2319 N GLN A 304 87.892 52.089 29.259 1.00 28.40 N +ATOM 2320 CA GLN A 304 88.632 52.490 30.459 1.00 25.92 C +ATOM 2321 C GLN A 304 88.559 51.314 31.467 1.00 23.69 C +ATOM 2322 O GLN A 304 88.782 51.494 32.670 1.00 23.09 O +ATOM 2323 CB GLN A 304 87.980 53.740 31.075 1.00 27.67 C +ATOM 2324 CG GLN A 304 88.933 54.869 31.494 1.00 29.64 C +ATOM 2325 CD GLN A 304 88.591 55.497 32.862 1.00 31.23 C +ATOM 2326 OE1 GLN A 304 87.433 55.798 33.173 1.00 32.05 O +ATOM 2327 NE2 GLN A 304 89.615 55.714 33.671 1.00 33.84 N +ATOM 2328 N GLY A 305 88.315 50.109 30.951 1.00 20.61 N +ATOM 2329 CA GLY A 305 88.158 48.917 31.773 1.00 19.61 C +ATOM 2330 C GLY A 305 89.329 48.218 32.446 1.00 19.43 C +ATOM 2331 O GLY A 305 89.122 47.503 33.414 1.00 18.83 O +ATOM 2332 N VAL A 306 90.537 48.308 31.899 1.00 20.60 N +ATOM 2333 CA VAL A 306 91.672 47.672 32.558 1.00 19.23 C +ATOM 2334 C VAL A 306 91.933 48.530 33.781 1.00 20.41 C +ATOM 2335 O VAL A 306 92.308 48.021 34.837 1.00 20.35 O +ATOM 2336 CB VAL A 306 92.935 47.632 31.687 1.00 17.58 C +ATOM 2337 CG1 VAL A 306 94.069 47.051 32.468 1.00 18.35 C +ATOM 2338 CG2 VAL A 306 92.723 46.761 30.479 1.00 18.61 C +ATOM 2339 N GLU A 307 91.651 49.828 33.650 1.00 21.41 N +ATOM 2340 CA GLU A 307 91.844 50.781 34.743 1.00 22.38 C +ATOM 2341 C GLU A 307 90.836 50.523 35.843 1.00 22.68 C +ATOM 2342 O GLU A 307 91.173 50.627 37.016 1.00 23.69 O +ATOM 2343 CB GLU A 307 91.694 52.229 34.272 1.00 23.64 C +ATOM 2344 CG GLU A 307 92.825 52.746 33.405 1.00 26.27 C +ATOM 2345 CD GLU A 307 92.893 52.084 32.037 1.00 27.61 C +ATOM 2346 OE1 GLU A 307 91.872 51.548 31.561 1.00 26.03 O +ATOM 2347 OE2 GLU A 307 93.984 52.115 31.428 1.00 29.77 O +ATOM 2348 N THR A 308 89.603 50.177 35.470 1.00 21.84 N +ATOM 2349 CA THR A 308 88.560 49.910 36.463 1.00 20.72 C +ATOM 2350 C THR A 308 88.849 48.648 37.277 1.00 19.56 C +ATOM 2351 O THR A 308 88.620 48.608 38.474 1.00 19.57 O +ATOM 2352 CB THR A 308 87.193 49.783 35.805 1.00 21.06 C +ATOM 2353 OG1 THR A 308 87.015 50.862 34.873 1.00 22.51 O +ATOM 2354 CG2 THR A 308 86.113 49.869 36.867 1.00 21.82 C +ATOM 2355 N VAL A 309 89.347 47.621 36.600 1.00 19.28 N +ATOM 2356 CA VAL A 309 89.714 46.350 37.201 1.00 17.51 C +ATOM 2357 C VAL A 309 90.870 46.624 38.176 1.00 17.40 C +ATOM 2358 O VAL A 309 90.853 46.201 39.338 1.00 17.16 O +ATOM 2359 CB VAL A 309 90.227 45.392 36.104 1.00 17.67 C +ATOM 2360 CG1 VAL A 309 90.655 44.064 36.709 1.00 19.49 C +ATOM 2361 CG2 VAL A 309 89.186 45.198 35.036 1.00 16.83 C +ATOM 2362 N ARG A 310 91.873 47.335 37.674 1.00 15.30 N +ATOM 2363 CA ARG A 310 93.036 47.700 38.445 1.00 14.74 C +ATOM 2364 C ARG A 310 92.624 48.526 39.654 1.00 14.95 C +ATOM 2365 O ARG A 310 93.169 48.378 40.747 1.00 16.67 O +ATOM 2366 CB ARG A 310 93.966 48.521 37.565 1.00 16.03 C +ATOM 2367 CG ARG A 310 94.918 47.734 36.681 1.00 16.97 C +ATOM 2368 CD ARG A 310 96.154 47.393 37.454 1.00 17.89 C +ATOM 2369 NE ARG A 310 97.400 47.722 36.773 1.00 21.18 N +ATOM 2370 CZ ARG A 310 98.550 47.969 37.404 1.00 22.53 C +ATOM 2371 NH1 ARG A 310 98.616 47.942 38.731 1.00 21.49 N +ATOM 2372 NH2 ARG A 310 99.659 48.164 36.709 1.00 22.94 N +ATOM 2373 N SER A 311 91.651 49.397 39.446 1.00 14.90 N +ATOM 2374 CA SER A 311 91.133 50.278 40.482 1.00 15.37 C +ATOM 2375 C SER A 311 90.419 49.465 41.590 1.00 15.17 C +ATOM 2376 O SER A 311 90.633 49.699 42.784 1.00 15.02 O +ATOM 2377 CB SER A 311 90.178 51.278 39.811 1.00 17.35 C +ATOM 2378 OG SER A 311 89.869 52.393 40.623 1.00 19.56 O +ATOM 2379 N LEU A 312 89.579 48.510 41.188 1.00 14.97 N +ATOM 2380 CA LEU A 312 88.839 47.644 42.114 1.00 14.06 C +ATOM 2381 C LEU A 312 89.812 46.812 42.940 1.00 14.67 C +ATOM 2382 O LEU A 312 89.709 46.739 44.163 1.00 15.16 O +ATOM 2383 CB LEU A 312 87.937 46.713 41.329 1.00 12.96 C +ATOM 2384 CG LEU A 312 86.610 47.301 40.931 1.00 13.32 C +ATOM 2385 CD1 LEU A 312 85.951 46.469 39.838 1.00 16.35 C +ATOM 2386 CD2 LEU A 312 85.771 47.326 42.181 1.00 15.70 C +ATOM 2387 N THR A 313 90.730 46.144 42.255 1.00 14.27 N +ATOM 2388 CA THR A 313 91.751 45.362 42.919 1.00 14.00 C +ATOM 2389 C THR A 313 92.449 46.264 43.965 1.00 14.33 C +ATOM 2390 O THR A 313 92.804 45.786 45.050 1.00 15.91 O +ATOM 2391 CB THR A 313 92.767 44.807 41.880 1.00 12.98 C +ATOM 2392 OG1 THR A 313 92.051 44.068 40.883 1.00 12.79 O +ATOM 2393 CG2 THR A 313 93.785 43.900 42.538 1.00 11.68 C +ATOM 2394 N SER A 314 92.632 47.551 43.658 1.00 12.97 N +ATOM 2395 CA SER A 314 93.249 48.450 44.616 1.00 13.03 C +ATOM 2396 C SER A 314 92.465 48.466 45.911 1.00 13.67 C +ATOM 2397 O SER A 314 93.057 48.308 46.972 1.00 14.32 O +ATOM 2398 CB SER A 314 93.339 49.865 44.085 1.00 13.60 C +ATOM 2399 OG SER A 314 94.438 50.021 43.224 1.00 14.58 O +ATOM 2400 N LEU A 315 91.142 48.629 45.842 1.00 14.09 N +ATOM 2401 CA LEU A 315 90.325 48.654 47.065 1.00 14.67 C +ATOM 2402 C LEU A 315 90.593 47.399 47.913 1.00 16.91 C +ATOM 2403 O LEU A 315 90.910 47.484 49.103 1.00 18.42 O +ATOM 2404 CB LEU A 315 88.836 48.767 46.730 1.00 13.07 C +ATOM 2405 CG LEU A 315 88.311 50.071 46.119 1.00 11.71 C +ATOM 2406 CD1 LEU A 315 86.831 49.946 45.839 1.00 12.44 C +ATOM 2407 CD2 LEU A 315 88.564 51.259 47.063 1.00 13.08 C +ATOM 2408 N ALA A 316 90.504 46.235 47.283 1.00 17.70 N +ATOM 2409 CA ALA A 316 90.778 44.978 47.953 1.00 17.98 C +ATOM 2410 C ALA A 316 92.197 44.996 48.562 1.00 18.97 C +ATOM 2411 O ALA A 316 92.410 44.512 49.678 1.00 20.54 O +ATOM 2412 CB ALA A 316 90.633 43.823 46.956 1.00 17.60 C +ATOM 2413 N MET A 317 93.172 45.522 47.828 1.00 18.60 N +ATOM 2414 CA MET A 317 94.537 45.596 48.339 1.00 19.53 C +ATOM 2415 C MET A 317 94.515 46.398 49.614 1.00 19.64 C +ATOM 2416 O MET A 317 94.933 45.934 50.674 1.00 20.85 O +ATOM 2417 CB MET A 317 95.439 46.354 47.377 1.00 21.55 C +ATOM 2418 CG MET A 317 95.823 45.619 46.150 1.00 22.79 C +ATOM 2419 SD MET A 317 97.275 46.379 45.450 1.00 26.82 S +ATOM 2420 CE MET A 317 97.035 45.843 43.759 1.00 28.60 C +ATOM 2421 N LEU A 318 94.002 47.614 49.479 1.00 18.74 N +ATOM 2422 CA LEU A 318 93.883 48.584 50.557 1.00 17.86 C +ATOM 2423 C LEU A 318 93.194 48.035 51.815 1.00 17.27 C +ATOM 2424 O LEU A 318 93.457 48.483 52.939 1.00 16.63 O +ATOM 2425 CB LEU A 318 93.115 49.810 50.033 1.00 16.66 C +ATOM 2426 CG LEU A 318 93.220 51.110 50.831 1.00 15.76 C +ATOM 2427 CD1 LEU A 318 94.681 51.520 50.938 1.00 14.16 C +ATOM 2428 CD2 LEU A 318 92.410 52.185 50.167 1.00 12.97 C +ATOM 2429 N THR A 319 92.339 47.043 51.628 1.00 16.59 N +ATOM 2430 CA THR A 319 91.592 46.481 52.740 1.00 16.16 C +ATOM 2431 C THR A 319 92.071 45.114 53.217 1.00 16.05 C +ATOM 2432 O THR A 319 91.493 44.531 54.141 1.00 16.55 O +ATOM 2433 CB THR A 319 90.092 46.452 52.378 1.00 15.97 C +ATOM 2434 OG1 THR A 319 89.898 45.818 51.096 1.00 13.14 O +ATOM 2435 CG2 THR A 319 89.575 47.895 52.285 1.00 15.29 C +ATOM 2436 N GLY A 320 93.163 44.633 52.628 1.00 15.00 N +ATOM 2437 CA GLY A 320 93.672 43.327 52.987 1.00 13.07 C +ATOM 2438 C GLY A 320 92.778 42.176 52.560 1.00 13.12 C +ATOM 2439 O GLY A 320 92.951 41.052 53.048 1.00 13.99 O +ATOM 2440 N ASN A 321 91.869 42.410 51.613 1.00 12.72 N +ATOM 2441 CA ASN A 321 90.963 41.344 51.167 1.00 13.58 C +ATOM 2442 C ASN A 321 91.561 40.469 50.073 1.00 13.23 C +ATOM 2443 O ASN A 321 90.944 40.238 49.036 1.00 12.71 O +ATOM 2444 CB ASN A 321 89.605 41.895 50.721 1.00 13.20 C +ATOM 2445 CG ASN A 321 88.816 42.496 51.874 1.00 15.53 C +ATOM 2446 OD1 ASN A 321 88.586 41.844 52.891 1.00 12.89 O +ATOM 2447 ND2 ASN A 321 88.396 43.752 51.716 1.00 18.49 N +ATOM 2448 N LEU A 322 92.743 39.938 50.340 1.00 12.44 N +ATOM 2449 CA LEU A 322 93.441 39.093 49.394 1.00 13.33 C +ATOM 2450 C LEU A 322 94.393 38.233 50.199 1.00 15.25 C +ATOM 2451 O LEU A 322 94.950 38.691 51.203 1.00 16.51 O +ATOM 2452 CB LEU A 322 94.244 39.952 48.402 1.00 12.84 C +ATOM 2453 CG LEU A 322 93.530 40.816 47.353 1.00 10.73 C +ATOM 2454 CD1 LEU A 322 94.467 41.881 46.861 1.00 9.96 C +ATOM 2455 CD2 LEU A 322 93.033 39.981 46.196 1.00 10.59 C +ATOM 2456 N GLY A 323 94.587 36.998 49.754 1.00 15.68 N +ATOM 2457 CA GLY A 323 95.485 36.100 50.448 1.00 16.13 C +ATOM 2458 C GLY A 323 94.772 35.274 51.490 1.00 17.04 C +ATOM 2459 O GLY A 323 95.371 34.415 52.132 1.00 18.51 O +ATOM 2460 N LYS A 324 93.463 35.450 51.578 1.00 17.87 N +ATOM 2461 CA LYS A 324 92.661 34.736 52.559 1.00 18.57 C +ATOM 2462 C LYS A 324 91.361 34.248 51.953 1.00 19.37 C +ATOM 2463 O LYS A 324 90.848 34.857 51.008 1.00 19.02 O +ATOM 2464 CB LYS A 324 92.322 35.700 53.695 1.00 20.03 C +ATOM 2465 CG LYS A 324 91.798 37.037 53.210 1.00 20.33 C +ATOM 2466 CD LYS A 324 90.949 37.720 54.262 1.00 21.61 C +ATOM 2467 CE LYS A 324 91.767 38.430 55.297 1.00 22.21 C +ATOM 2468 NZ LYS A 324 90.868 39.127 56.253 1.00 23.59 N +ATOM 2469 N PRO A 325 90.771 33.177 52.525 1.00 20.61 N +ATOM 2470 CA PRO A 325 89.499 32.607 52.041 1.00 20.99 C +ATOM 2471 C PRO A 325 88.311 33.571 52.173 1.00 19.78 C +ATOM 2472 O PRO A 325 88.316 34.484 52.993 1.00 21.26 O +ATOM 2473 CB PRO A 325 89.308 31.400 52.950 1.00 19.56 C +ATOM 2474 CG PRO A 325 89.926 31.862 54.227 1.00 19.28 C +ATOM 2475 CD PRO A 325 91.211 32.469 53.738 1.00 19.93 C +ATOM 2476 N HIS A 326 87.291 33.361 51.364 1.00 18.50 N +ATOM 2477 CA HIS A 326 86.104 34.218 51.412 1.00 19.99 C +ATOM 2478 C HIS A 326 86.395 35.705 51.276 1.00 19.94 C +ATOM 2479 O HIS A 326 85.799 36.535 51.970 1.00 21.88 O +ATOM 2480 CB HIS A 326 85.328 33.973 52.707 1.00 19.48 C +ATOM 2481 CG HIS A 326 85.488 32.586 53.235 1.00 19.57 C +ATOM 2482 ND1 HIS A 326 85.030 31.480 52.561 1.00 18.49 N +ATOM 2483 CD2 HIS A 326 86.156 32.121 54.315 1.00 19.08 C +ATOM 2484 CE1 HIS A 326 85.418 30.392 53.194 1.00 19.80 C +ATOM 2485 NE2 HIS A 326 86.104 30.750 54.263 1.00 18.43 N +ATOM 2486 N ALA A 327 87.265 36.044 50.342 1.00 18.89 N +ATOM 2487 CA ALA A 327 87.623 37.428 50.095 1.00 18.00 C +ATOM 2488 C ALA A 327 88.123 37.465 48.652 1.00 17.90 C +ATOM 2489 O ALA A 327 87.564 36.796 47.773 1.00 19.18 O +ATOM 2490 CB ALA A 327 88.713 37.856 51.070 1.00 17.33 C +ATOM 2491 N GLY A 328 89.132 38.278 48.388 1.00 16.28 N +ATOM 2492 CA GLY A 328 89.674 38.310 47.054 1.00 13.40 C +ATOM 2493 C GLY A 328 88.987 39.175 46.036 1.00 12.50 C +ATOM 2494 O GLY A 328 88.102 39.978 46.332 1.00 12.28 O +ATOM 2495 N VAL A 329 89.463 39.007 44.814 1.00 13.02 N +ATOM 2496 CA VAL A 329 89.018 39.719 43.626 1.00 12.42 C +ATOM 2497 C VAL A 329 88.518 38.631 42.637 1.00 11.73 C +ATOM 2498 O VAL A 329 89.263 37.738 42.225 1.00 11.59 O +ATOM 2499 CB VAL A 329 90.228 40.558 43.122 1.00 11.98 C +ATOM 2500 CG1 VAL A 329 90.601 40.225 41.716 1.00 13.67 C +ATOM 2501 CG2 VAL A 329 89.964 42.023 43.339 1.00 11.95 C +ATOM 2502 N ASN A 330 87.247 38.718 42.265 1.00 10.20 N +ATOM 2503 CA ASN A 330 86.646 37.706 41.429 1.00 8.51 C +ATOM 2504 C ASN A 330 85.986 38.038 40.100 1.00 7.21 C +ATOM 2505 O ASN A 330 84.800 38.379 40.032 1.00 6.76 O +ATOM 2506 CB ASN A 330 85.672 36.923 42.281 1.00 9.99 C +ATOM 2507 CG ASN A 330 86.321 36.385 43.511 1.00 11.91 C +ATOM 2508 OD1 ASN A 330 86.955 35.343 43.478 1.00 11.89 O +ATOM 2509 ND2 ASN A 330 86.215 37.123 44.604 1.00 14.97 N +ATOM 2510 N PRO A 331 86.771 38.041 39.028 1.00 5.71 N +ATOM 2511 CA PRO A 331 86.161 38.330 37.741 1.00 5.41 C +ATOM 2512 C PRO A 331 85.526 37.006 37.341 1.00 7.80 C +ATOM 2513 O PRO A 331 86.228 36.032 37.011 1.00 8.22 O +ATOM 2514 CB PRO A 331 87.367 38.708 36.887 1.00 2.85 C +ATOM 2515 CG PRO A 331 88.469 37.983 37.507 1.00 3.26 C +ATOM 2516 CD PRO A 331 88.231 38.181 38.955 1.00 4.12 C +ATOM 2517 N VAL A 332 84.207 36.919 37.483 1.00 9.78 N +ATOM 2518 CA VAL A 332 83.512 35.678 37.161 1.00 11.40 C +ATOM 2519 C VAL A 332 83.503 35.576 35.644 1.00 13.50 C +ATOM 2520 O VAL A 332 82.774 36.311 34.975 1.00 15.41 O +ATOM 2521 CB VAL A 332 82.067 35.640 37.752 1.00 10.65 C +ATOM 2522 CG1 VAL A 332 81.449 34.277 37.544 1.00 12.13 C +ATOM 2523 CG2 VAL A 332 82.084 35.932 39.237 1.00 9.66 C +ATOM 2524 N ARG A 333 84.385 34.730 35.110 1.00 14.28 N +ATOM 2525 CA ARG A 333 84.528 34.537 33.665 1.00 14.78 C +ATOM 2526 C ARG A 333 83.174 34.096 33.152 1.00 13.94 C +ATOM 2527 O ARG A 333 82.425 33.460 33.879 1.00 15.18 O +ATOM 2528 CB ARG A 333 85.607 33.477 33.371 1.00 17.66 C +ATOM 2529 CG ARG A 333 86.811 33.456 34.380 1.00 20.30 C +ATOM 2530 CD ARG A 333 87.683 34.714 34.335 1.00 24.01 C +ATOM 2531 NE ARG A 333 88.857 34.578 33.461 1.00 28.94 N +ATOM 2532 CZ ARG A 333 88.818 34.569 32.123 1.00 32.34 C +ATOM 2533 NH1 ARG A 333 87.657 34.685 31.481 1.00 32.82 N +ATOM 2534 NH2 ARG A 333 89.946 34.496 31.411 1.00 31.89 N +ATOM 2535 N GLY A 334 82.851 34.432 31.912 1.00 13.31 N +ATOM 2536 CA GLY A 334 81.547 34.089 31.378 1.00 11.92 C +ATOM 2537 C GLY A 334 81.191 32.718 30.825 1.00 12.13 C +ATOM 2538 O GLY A 334 80.342 32.008 31.382 1.00 11.87 O +ATOM 2539 N GLN A 335 81.788 32.366 29.698 1.00 11.90 N +ATOM 2540 CA GLN A 335 81.467 31.123 29.031 1.00 12.04 C +ATOM 2541 C GLN A 335 81.977 29.876 29.714 1.00 13.02 C +ATOM 2542 O GLN A 335 83.065 29.889 30.295 1.00 12.63 O +ATOM 2543 CB GLN A 335 81.915 31.176 27.577 1.00 11.59 C +ATOM 2544 CG GLN A 335 81.389 32.375 26.869 1.00 13.16 C +ATOM 2545 CD GLN A 335 80.869 32.075 25.490 1.00 15.18 C +ATOM 2546 OE1 GLN A 335 81.477 31.325 24.747 1.00 17.74 O +ATOM 2547 NE2 GLN A 335 79.743 32.686 25.126 1.00 16.69 N +ATOM 2548 N ASN A 336 81.196 28.797 29.590 1.00 11.85 N +ATOM 2549 CA ASN A 336 81.518 27.513 30.196 1.00 12.34 C +ATOM 2550 C ASN A 336 82.990 27.170 30.235 1.00 12.43 C +ATOM 2551 O ASN A 336 83.526 26.805 31.289 1.00 11.97 O +ATOM 2552 CB ASN A 336 80.748 26.361 29.541 1.00 12.10 C +ATOM 2553 CG ASN A 336 81.162 26.107 28.111 1.00 10.87 C +ATOM 2554 OD1 ASN A 336 81.851 25.137 27.816 1.00 9.68 O +ATOM 2555 ND2 ASN A 336 80.664 26.927 27.207 1.00 10.88 N +ATOM 2556 N ASN A 337 83.667 27.352 29.111 1.00 13.10 N +ATOM 2557 CA ASN A 337 85.077 27.024 29.077 1.00 11.87 C +ATOM 2558 C ASN A 337 86.025 28.097 28.617 1.00 11.07 C +ATOM 2559 O ASN A 337 87.094 27.770 28.167 1.00 11.43 O +ATOM 2560 CB ASN A 337 85.310 25.774 28.250 1.00 11.65 C +ATOM 2561 CG ASN A 337 86.605 25.123 28.587 1.00 12.01 C +ATOM 2562 OD1 ASN A 337 87.110 25.297 29.698 1.00 12.48 O +ATOM 2563 ND2 ASN A 337 87.158 24.358 27.651 1.00 10.64 N +ATOM 2564 N VAL A 338 85.666 29.373 28.742 1.00 11.93 N +ATOM 2565 CA VAL A 338 86.568 30.453 28.315 1.00 11.02 C +ATOM 2566 C VAL A 338 87.791 30.455 29.194 1.00 11.44 C +ATOM 2567 O VAL A 338 88.892 30.813 28.752 1.00 12.49 O +ATOM 2568 CB VAL A 338 85.939 31.844 28.428 1.00 10.15 C +ATOM 2569 CG1 VAL A 338 85.417 32.078 29.833 1.00 11.45 C +ATOM 2570 CG2 VAL A 338 86.960 32.887 28.066 1.00 7.63 C +ATOM 2571 N GLN A 339 87.576 30.102 30.460 1.00 10.59 N +ATOM 2572 CA GLN A 339 88.649 30.039 31.429 1.00 9.30 C +ATOM 2573 C GLN A 339 89.572 28.943 30.882 1.00 10.19 C +ATOM 2574 O GLN A 339 90.756 29.182 30.668 1.00 12.62 O +ATOM 2575 CB GLN A 339 88.061 29.688 32.803 1.00 8.44 C +ATOM 2576 CG GLN A 339 89.048 29.331 33.902 1.00 8.49 C +ATOM 2577 CD GLN A 339 90.019 30.440 34.207 1.00 9.57 C +ATOM 2578 OE1 GLN A 339 91.217 30.278 34.036 1.00 10.94 O +ATOM 2579 NE2 GLN A 339 89.509 31.576 34.670 1.00 8.64 N +ATOM 2580 N GLY A 340 88.984 27.815 30.490 1.00 9.72 N +ATOM 2581 CA GLY A 340 89.746 26.687 29.986 1.00 8.55 C +ATOM 2582 C GLY A 340 90.651 26.983 28.822 1.00 9.05 C +ATOM 2583 O GLY A 340 91.855 26.739 28.905 1.00 10.74 O +ATOM 2584 N ALA A 341 90.072 27.483 27.736 1.00 8.34 N +ATOM 2585 CA ALA A 341 90.790 27.840 26.519 1.00 8.41 C +ATOM 2586 C ALA A 341 92.024 28.700 26.858 1.00 10.52 C +ATOM 2587 O ALA A 341 93.108 28.552 26.254 1.00 10.42 O +ATOM 2588 CB ALA A 341 89.857 28.602 25.600 1.00 8.32 C +ATOM 2589 N CYS A 342 91.858 29.618 27.804 1.00 10.60 N +ATOM 2590 CA CYS A 342 92.979 30.445 28.233 1.00 12.48 C +ATOM 2591 C CYS A 342 94.038 29.542 28.851 1.00 11.95 C +ATOM 2592 O CYS A 342 95.202 29.589 28.433 1.00 13.16 O +ATOM 2593 CB CYS A 342 92.534 31.540 29.220 1.00 12.85 C +ATOM 2594 SG CYS A 342 91.517 32.769 28.391 1.00 12.86 S +ATOM 2595 N ASP A 343 93.629 28.682 29.785 1.00 11.34 N +ATOM 2596 CA ASP A 343 94.559 27.745 30.437 1.00 12.62 C +ATOM 2597 C ASP A 343 95.321 26.939 29.377 1.00 11.17 C +ATOM 2598 O ASP A 343 96.438 26.508 29.602 1.00 8.89 O +ATOM 2599 CB ASP A 343 93.822 26.720 31.321 1.00 13.48 C +ATOM 2600 CG ASP A 343 93.068 27.342 32.478 1.00 14.77 C +ATOM 2601 OD1 ASP A 343 93.533 28.336 33.064 1.00 14.58 O +ATOM 2602 OD2 ASP A 343 92.016 26.782 32.842 1.00 16.52 O +ATOM 2603 N MET A 344 94.681 26.705 28.239 1.00 11.43 N +ATOM 2604 CA MET A 344 95.286 25.924 27.168 1.00 12.66 C +ATOM 2605 C MET A 344 96.237 26.709 26.299 1.00 12.63 C +ATOM 2606 O MET A 344 97.081 26.125 25.631 1.00 13.00 O +ATOM 2607 CB MET A 344 94.204 25.256 26.322 1.00 14.23 C +ATOM 2608 CG MET A 344 93.306 24.357 27.141 1.00 13.17 C +ATOM 2609 SD MET A 344 94.272 23.054 27.832 1.00 15.27 S +ATOM 2610 CE MET A 344 94.320 23.496 29.566 1.00 13.47 C +ATOM 2611 N GLY A 345 96.119 28.032 26.310 1.00 12.27 N +ATOM 2612 CA GLY A 345 97.039 28.834 25.522 1.00 11.16 C +ATOM 2613 C GLY A 345 96.443 29.355 24.240 1.00 10.55 C +ATOM 2614 O GLY A 345 97.146 29.657 23.264 1.00 7.70 O +ATOM 2615 N ALA A 346 95.119 29.449 24.255 1.00 10.63 N +ATOM 2616 CA ALA A 346 94.382 29.971 23.131 1.00 10.95 C +ATOM 2617 C ALA A 346 94.406 31.510 23.305 1.00 12.56 C +ATOM 2618 O ALA A 346 93.380 32.204 23.215 1.00 13.34 O +ATOM 2619 CB ALA A 346 92.980 29.419 23.155 1.00 10.10 C +ATOM 2620 N LEU A 347 95.604 32.013 23.598 1.00 12.25 N +ATOM 2621 CA LEU A 347 95.882 33.424 23.801 1.00 12.24 C +ATOM 2622 C LEU A 347 97.089 33.643 22.916 1.00 13.40 C +ATOM 2623 O LEU A 347 97.989 32.806 22.888 1.00 15.78 O +ATOM 2624 CB LEU A 347 96.235 33.670 25.251 1.00 10.33 C +ATOM 2625 CG LEU A 347 94.992 33.457 26.077 1.00 10.50 C +ATOM 2626 CD1 LEU A 347 95.315 33.518 27.540 1.00 12.99 C +ATOM 2627 CD2 LEU A 347 93.979 34.497 25.701 1.00 10.22 C +ATOM 2628 N PRO A 348 97.169 34.793 22.239 1.00 13.42 N +ATOM 2629 CA PRO A 348 98.306 35.048 21.348 1.00 14.03 C +ATOM 2630 C PRO A 348 99.645 35.351 21.972 1.00 14.72 C +ATOM 2631 O PRO A 348 100.571 35.730 21.271 1.00 12.36 O +ATOM 2632 CB PRO A 348 97.812 36.202 20.504 1.00 14.83 C +ATOM 2633 CG PRO A 348 96.933 36.971 21.481 1.00 14.09 C +ATOM 2634 CD PRO A 348 96.180 35.880 22.178 1.00 13.63 C +ATOM 2635 N ASP A 349 99.757 35.137 23.281 1.00 16.74 N +ATOM 2636 CA ASP A 349 100.989 35.414 24.011 1.00 16.78 C +ATOM 2637 C ASP A 349 101.390 34.372 25.056 1.00 17.96 C +ATOM 2638 O ASP A 349 102.429 34.526 25.711 1.00 20.97 O +ATOM 2639 CB ASP A 349 100.924 36.798 24.662 1.00 16.22 C +ATOM 2640 CG ASP A 349 99.865 36.907 25.768 1.00 17.99 C +ATOM 2641 OD1 ASP A 349 98.964 36.049 25.893 1.00 17.31 O +ATOM 2642 OD2 ASP A 349 99.925 37.904 26.526 1.00 19.95 O +ATOM 2643 N THR A 350 100.600 33.315 25.224 1.00 15.96 N +ATOM 2644 CA THR A 350 100.965 32.306 26.205 1.00 14.99 C +ATOM 2645 C THR A 350 100.717 30.915 25.693 1.00 15.28 C +ATOM 2646 O THR A 350 99.831 30.691 24.865 1.00 13.91 O +ATOM 2647 CB THR A 350 100.138 32.396 27.507 1.00 14.85 C +ATOM 2648 OG1 THR A 350 99.188 33.455 27.417 1.00 15.97 O +ATOM 2649 CG2 THR A 350 101.018 32.580 28.697 1.00 12.70 C +ATOM 2650 N TYR A 351 101.530 29.993 26.200 1.00 15.47 N +ATOM 2651 CA TYR A 351 101.406 28.572 25.905 1.00 15.45 C +ATOM 2652 C TYR A 351 100.452 28.133 27.022 1.00 14.39 C +ATOM 2653 O TYR A 351 100.042 28.968 27.853 1.00 14.91 O +ATOM 2654 CB TYR A 351 102.758 27.884 26.098 1.00 15.78 C +ATOM 2655 CG TYR A 351 103.762 28.161 25.017 1.00 17.42 C +ATOM 2656 CD1 TYR A 351 103.456 27.917 23.682 1.00 18.43 C +ATOM 2657 CD2 TYR A 351 105.041 28.626 25.329 1.00 18.54 C +ATOM 2658 CE1 TYR A 351 104.404 28.119 22.671 1.00 20.07 C +ATOM 2659 CE2 TYR A 351 105.997 28.835 24.334 1.00 19.74 C +ATOM 2660 CZ TYR A 351 105.672 28.573 23.002 1.00 20.99 C +ATOM 2661 OH TYR A 351 106.621 28.725 22.007 1.00 22.40 O +ATOM 2662 N PRO A 352 100.015 26.865 27.024 1.00 11.83 N +ATOM 2663 CA PRO A 352 99.124 26.506 28.122 1.00 10.45 C +ATOM 2664 C PRO A 352 99.928 26.586 29.397 1.00 9.86 C +ATOM 2665 O PRO A 352 101.146 26.629 29.349 1.00 9.39 O +ATOM 2666 CB PRO A 352 98.710 25.076 27.789 1.00 11.73 C +ATOM 2667 CG PRO A 352 99.769 24.587 26.851 1.00 13.53 C +ATOM 2668 CD PRO A 352 100.082 25.796 26.022 1.00 12.51 C +ATOM 2669 N GLY A 353 99.252 26.639 30.535 1.00 11.58 N +ATOM 2670 CA GLY A 353 99.930 26.731 31.817 1.00 12.69 C +ATOM 2671 C GLY A 353 100.377 28.155 32.091 1.00 14.29 C +ATOM 2672 O GLY A 353 101.055 28.425 33.073 1.00 16.44 O +ATOM 2673 N TYR A 354 99.979 29.080 31.232 1.00 13.75 N +ATOM 2674 CA TYR A 354 100.351 30.475 31.386 1.00 14.02 C +ATOM 2675 C TYR A 354 101.852 30.697 31.352 1.00 14.25 C +ATOM 2676 O TYR A 354 102.395 31.591 31.998 1.00 15.23 O +ATOM 2677 CB TYR A 354 99.690 31.078 32.610 1.00 13.22 C +ATOM 2678 CG TYR A 354 98.177 30.989 32.524 1.00 14.81 C +ATOM 2679 CD1 TYR A 354 97.467 31.797 31.635 1.00 12.19 C +ATOM 2680 CD2 TYR A 354 97.454 30.064 33.317 1.00 13.95 C +ATOM 2681 CE1 TYR A 354 96.096 31.695 31.531 1.00 13.39 C +ATOM 2682 CE2 TYR A 354 96.071 29.958 33.220 1.00 11.51 C +ATOM 2683 CZ TYR A 354 95.399 30.772 32.326 1.00 14.57 C +ATOM 2684 OH TYR A 354 94.026 30.671 32.188 1.00 17.43 O +ATOM 2685 N GLN A 355 102.480 29.938 30.462 1.00 14.72 N +ATOM 2686 CA GLN A 355 103.908 29.983 30.201 1.00 16.00 C +ATOM 2687 C GLN A 355 104.097 30.731 28.872 1.00 17.79 C +ATOM 2688 O GLN A 355 104.056 30.137 27.784 1.00 18.29 O +ATOM 2689 CB GLN A 355 104.428 28.559 30.115 1.00 13.57 C +ATOM 2690 CG GLN A 355 104.108 27.777 31.346 1.00 11.11 C +ATOM 2691 CD GLN A 355 104.373 26.328 31.177 1.00 11.57 C +ATOM 2692 OE1 GLN A 355 105.312 25.802 31.750 1.00 13.88 O +ATOM 2693 NE2 GLN A 355 103.554 25.661 30.383 1.00 11.80 N +ATOM 2694 N TYR A 356 104.293 32.042 28.986 1.00 19.22 N +ATOM 2695 CA TYR A 356 104.428 32.961 27.840 1.00 19.86 C +ATOM 2696 C TYR A 356 105.516 32.628 26.821 1.00 19.21 C +ATOM 2697 O TYR A 356 106.614 32.206 27.189 1.00 19.20 O +ATOM 2698 CB TYR A 356 104.585 34.419 28.349 1.00 20.63 C +ATOM 2699 CG TYR A 356 103.559 34.802 29.408 1.00 20.09 C +ATOM 2700 CD1 TYR A 356 103.673 34.325 30.726 1.00 19.13 C +ATOM 2701 CD2 TYR A 356 102.429 35.552 29.076 1.00 19.98 C +ATOM 2702 CE1 TYR A 356 102.690 34.575 31.677 1.00 18.99 C +ATOM 2703 CE2 TYR A 356 101.423 35.807 30.039 1.00 20.05 C +ATOM 2704 CZ TYR A 356 101.568 35.314 31.330 1.00 19.61 C +ATOM 2705 OH TYR A 356 100.596 35.553 32.277 1.00 22.02 O +ATOM 2706 N VAL A 357 105.200 32.854 25.543 1.00 19.81 N +ATOM 2707 CA VAL A 357 106.132 32.592 24.429 1.00 19.52 C +ATOM 2708 C VAL A 357 107.389 33.459 24.494 1.00 19.19 C +ATOM 2709 O VAL A 357 108.463 33.043 24.086 1.00 18.57 O +ATOM 2710 CB VAL A 357 105.456 32.745 23.006 1.00 18.29 C +ATOM 2711 CG1 VAL A 357 104.439 31.656 22.786 1.00 18.35 C +ATOM 2712 CG2 VAL A 357 104.777 34.093 22.842 1.00 17.10 C +ATOM 2713 N LYS A 358 107.259 34.647 25.065 1.00 20.17 N +ATOM 2714 CA LYS A 358 108.389 35.557 25.172 1.00 21.15 C +ATOM 2715 C LYS A 358 109.556 34.923 25.928 1.00 20.85 C +ATOM 2716 O LYS A 358 110.710 35.167 25.592 1.00 20.32 O +ATOM 2717 CB LYS A 358 107.979 36.864 25.852 1.00 21.87 C +ATOM 2718 CG LYS A 358 108.068 36.842 27.362 1.00 23.26 C +ATOM 2719 CD LYS A 358 108.050 38.249 27.895 1.00 25.89 C +ATOM 2720 CE LYS A 358 106.634 38.737 28.061 1.00 31.15 C +ATOM 2721 NZ LYS A 358 105.765 38.518 26.852 1.00 34.86 N +ATOM 2722 N ASP A 359 109.242 34.103 26.930 1.00 20.14 N +ATOM 2723 CA ASP A 359 110.251 33.440 27.737 1.00 19.19 C +ATOM 2724 C ASP A 359 110.978 32.376 26.934 1.00 20.38 C +ATOM 2725 O ASP A 359 110.397 31.342 26.602 1.00 23.19 O +ATOM 2726 CB ASP A 359 109.603 32.789 28.949 1.00 17.11 C +ATOM 2727 CG ASP A 359 110.618 32.340 29.985 1.00 17.29 C +ATOM 2728 OD1 ASP A 359 111.695 31.831 29.616 1.00 16.63 O +ATOM 2729 OD2 ASP A 359 110.344 32.507 31.194 1.00 18.37 O +ATOM 2730 N PRO A 360 112.300 32.537 26.752 1.00 20.17 N +ATOM 2731 CA PRO A 360 113.131 31.590 25.997 1.00 19.37 C +ATOM 2732 C PRO A 360 113.104 30.149 26.528 1.00 18.72 C +ATOM 2733 O PRO A 360 113.095 29.199 25.747 1.00 19.28 O +ATOM 2734 CB PRO A 360 114.518 32.209 26.119 1.00 19.16 C +ATOM 2735 CG PRO A 360 114.457 32.894 27.460 1.00 18.45 C +ATOM 2736 CD PRO A 360 113.140 33.569 27.385 1.00 18.28 C +ATOM 2737 N ALA A 361 113.090 29.992 27.849 1.00 18.39 N +ATOM 2738 CA ALA A 361 113.069 28.671 28.487 1.00 18.80 C +ATOM 2739 C ALA A 361 111.811 27.879 28.159 1.00 19.81 C +ATOM 2740 O ALA A 361 111.866 26.656 28.017 1.00 20.05 O +ATOM 2741 CB ALA A 361 113.217 28.802 29.976 1.00 17.27 C +ATOM 2742 N ASN A 362 110.682 28.582 28.042 1.00 21.52 N +ATOM 2743 CA ASN A 362 109.396 27.961 27.709 1.00 21.62 C +ATOM 2744 C ASN A 362 109.439 27.493 26.268 1.00 22.23 C +ATOM 2745 O ASN A 362 109.057 26.363 25.960 1.00 22.09 O +ATOM 2746 CB ASN A 362 108.248 28.944 27.874 1.00 20.78 C +ATOM 2747 CG ASN A 362 107.964 29.266 29.319 1.00 22.64 C +ATOM 2748 OD1 ASN A 362 108.220 28.459 30.219 1.00 22.68 O +ATOM 2749 ND2 ASN A 362 107.422 30.458 29.557 1.00 24.06 N +ATOM 2750 N ARG A 363 109.906 28.366 25.386 1.00 21.92 N +ATOM 2751 CA ARG A 363 110.016 28.012 23.985 1.00 22.55 C +ATOM 2752 C ARG A 363 110.928 26.795 23.812 1.00 22.81 C +ATOM 2753 O ARG A 363 110.612 25.895 23.040 1.00 23.05 O +ATOM 2754 CB ARG A 363 110.536 29.197 23.174 1.00 22.19 C +ATOM 2755 CG ARG A 363 109.441 29.960 22.450 1.00 24.44 C +ATOM 2756 CD ARG A 363 109.986 31.216 21.816 1.00 25.57 C +ATOM 2757 NE ARG A 363 110.401 32.135 22.859 1.00 27.44 N +ATOM 2758 CZ ARG A 363 111.481 32.895 22.812 1.00 27.71 C +ATOM 2759 NH1 ARG A 363 112.285 32.851 21.763 1.00 26.65 N +ATOM 2760 NH2 ARG A 363 111.742 33.703 23.826 1.00 28.32 N +ATOM 2761 N GLU A 364 112.046 26.753 24.540 1.00 22.87 N +ATOM 2762 CA GLU A 364 112.962 25.620 24.422 1.00 22.39 C +ATOM 2763 C GLU A 364 112.201 24.356 24.803 1.00 18.58 C +ATOM 2764 O GLU A 364 112.289 23.348 24.131 1.00 18.23 O +ATOM 2765 CB GLU A 364 114.204 25.781 25.318 1.00 26.05 C +ATOM 2766 CG GLU A 364 115.387 24.907 24.861 1.00 32.89 C +ATOM 2767 CD GLU A 364 116.328 24.434 25.995 1.00 36.71 C +ATOM 2768 OE1 GLU A 364 117.280 25.172 26.366 1.00 39.34 O +ATOM 2769 OE2 GLU A 364 116.144 23.288 26.475 1.00 38.69 O +ATOM 2770 N LYS A 365 111.415 24.441 25.862 1.00 16.14 N +ATOM 2771 CA LYS A 365 110.636 23.308 26.320 1.00 13.69 C +ATOM 2772 C LYS A 365 109.632 22.870 25.267 1.00 13.73 C +ATOM 2773 O LYS A 365 109.697 21.760 24.753 1.00 14.07 O +ATOM 2774 CB LYS A 365 109.905 23.648 27.621 1.00 9.97 C +ATOM 2775 CG LYS A 365 109.133 22.478 28.144 1.00 8.28 C +ATOM 2776 CD LYS A 365 108.724 22.673 29.562 1.00 7.79 C +ATOM 2777 CE LYS A 365 107.655 23.721 29.712 1.00 9.31 C +ATOM 2778 NZ LYS A 365 107.265 23.846 31.152 1.00 11.91 N +ATOM 2779 N PHE A 366 108.710 23.759 24.930 1.00 14.07 N +ATOM 2780 CA PHE A 366 107.698 23.440 23.955 1.00 14.60 C +ATOM 2781 C PHE A 366 108.256 22.998 22.593 1.00 16.86 C +ATOM 2782 O PHE A 366 107.798 21.983 22.050 1.00 18.37 O +ATOM 2783 CB PHE A 366 106.684 24.587 23.847 1.00 12.55 C +ATOM 2784 CG PHE A 366 105.736 24.666 25.027 1.00 11.12 C +ATOM 2785 CD1 PHE A 366 106.061 25.401 26.155 1.00 11.70 C +ATOM 2786 CD2 PHE A 366 104.553 23.958 25.030 1.00 10.48 C +ATOM 2787 CE1 PHE A 366 105.227 25.421 27.265 1.00 10.61 C +ATOM 2788 CE2 PHE A 366 103.720 23.970 26.128 1.00 10.29 C +ATOM 2789 CZ PHE A 366 104.060 24.707 27.251 1.00 10.48 C +ATOM 2790 N ALA A 367 109.278 23.685 22.077 1.00 17.25 N +ATOM 2791 CA ALA A 367 109.869 23.327 20.771 1.00 17.83 C +ATOM 2792 C ALA A 367 110.432 21.912 20.783 1.00 17.97 C +ATOM 2793 O ALA A 367 110.206 21.125 19.858 1.00 18.28 O +ATOM 2794 CB ALA A 367 110.972 24.318 20.372 1.00 16.38 C +ATOM 2795 N LYS A 368 111.158 21.591 21.850 1.00 17.40 N +ATOM 2796 CA LYS A 368 111.753 20.282 22.004 1.00 15.10 C +ATOM 2797 C LYS A 368 110.642 19.270 21.942 1.00 14.63 C +ATOM 2798 O LYS A 368 110.611 18.435 21.056 1.00 13.76 O +ATOM 2799 CB LYS A 368 112.458 20.181 23.346 1.00 14.86 C +ATOM 2800 CG LYS A 368 113.088 18.832 23.576 1.00 17.03 C +ATOM 2801 CD LYS A 368 114.089 18.856 24.696 1.00 17.79 C +ATOM 2802 CE LYS A 368 114.809 17.538 24.732 1.00 21.58 C +ATOM 2803 NZ LYS A 368 113.856 16.405 25.004 1.00 25.66 N +ATOM 2804 N ALA A 369 109.678 19.425 22.843 1.00 15.54 N +ATOM 2805 CA ALA A 369 108.528 18.538 22.936 1.00 12.83 C +ATOM 2806 C ALA A 369 107.822 18.359 21.609 1.00 12.24 C +ATOM 2807 O ALA A 369 107.604 17.244 21.178 1.00 13.35 O +ATOM 2808 CB ALA A 369 107.569 19.058 23.967 1.00 11.92 C +ATOM 2809 N TRP A 370 107.484 19.449 20.940 1.00 12.29 N +ATOM 2810 CA TRP A 370 106.782 19.347 19.660 1.00 13.57 C +ATOM 2811 C TRP A 370 107.718 18.926 18.536 1.00 14.64 C +ATOM 2812 O TRP A 370 107.317 18.825 17.380 1.00 14.95 O +ATOM 2813 CB TRP A 370 106.006 20.661 19.344 1.00 10.68 C +ATOM 2814 CG TRP A 370 105.028 20.947 20.428 1.00 8.59 C +ATOM 2815 CD1 TRP A 370 104.693 20.102 21.442 1.00 6.80 C +ATOM 2816 CD2 TRP A 370 104.348 22.185 20.705 1.00 10.17 C +ATOM 2817 NE1 TRP A 370 103.878 20.729 22.345 1.00 8.23 N +ATOM 2818 CE2 TRP A 370 103.646 22.008 21.925 1.00 8.75 C +ATOM 2819 CE3 TRP A 370 104.267 23.426 20.053 1.00 10.58 C +ATOM 2820 CZ2 TRP A 370 102.877 23.026 22.504 1.00 5.96 C +ATOM 2821 CZ3 TRP A 370 103.489 24.450 20.643 1.00 7.13 C +ATOM 2822 CH2 TRP A 370 102.814 24.234 21.851 1.00 5.42 C +ATOM 2823 N GLY A 371 108.972 18.683 18.890 1.00 16.58 N +ATOM 2824 CA GLY A 371 109.957 18.266 17.916 1.00 19.54 C +ATOM 2825 C GLY A 371 110.119 19.303 16.838 1.00 22.09 C +ATOM 2826 O GLY A 371 110.188 18.980 15.659 1.00 23.89 O +ATOM 2827 N VAL A 372 110.138 20.562 17.242 1.00 24.36 N +ATOM 2828 CA VAL A 372 110.288 21.670 16.313 1.00 26.05 C +ATOM 2829 C VAL A 372 111.535 22.494 16.710 1.00 26.67 C +ATOM 2830 O VAL A 372 111.937 22.491 17.878 1.00 27.01 O +ATOM 2831 CB VAL A 372 108.962 22.473 16.243 1.00 24.81 C +ATOM 2832 CG1 VAL A 372 109.197 23.953 16.449 1.00 25.11 C +ATOM 2833 CG2 VAL A 372 108.278 22.196 14.909 1.00 23.31 C +ATOM 2834 N GLU A 373 112.165 23.144 15.731 1.00 27.12 N +ATOM 2835 CA GLU A 373 113.396 23.907 15.967 1.00 27.89 C +ATOM 2836 C GLU A 373 113.199 25.224 16.693 1.00 26.47 C +ATOM 2837 O GLU A 373 113.948 25.548 17.614 1.00 26.18 O +ATOM 2838 CB GLU A 373 114.176 24.119 14.661 1.00 30.13 C +ATOM 2839 CG GLU A 373 115.624 24.532 14.891 1.00 37.53 C +ATOM 2840 CD GLU A 373 116.575 24.204 13.726 1.00 40.79 C +ATOM 2841 OE1 GLU A 373 116.739 25.067 12.828 1.00 42.75 O +ATOM 2842 OE2 GLU A 373 117.188 23.103 13.736 1.00 41.93 O +ATOM 2843 N SER A 374 112.198 25.986 16.271 1.00 25.58 N +ATOM 2844 CA SER A 374 111.890 27.266 16.899 1.00 23.25 C +ATOM 2845 C SER A 374 110.394 27.450 16.950 1.00 21.03 C +ATOM 2846 O SER A 374 109.675 27.070 16.013 1.00 21.53 O +ATOM 2847 CB SER A 374 112.462 28.447 16.101 1.00 23.07 C +ATOM 2848 OG SER A 374 113.871 28.384 16.000 1.00 27.85 O +ATOM 2849 N LEU A 375 109.922 27.969 18.072 1.00 17.32 N +ATOM 2850 CA LEU A 375 108.516 28.287 18.208 1.00 15.41 C +ATOM 2851 C LEU A 375 108.554 29.820 18.149 1.00 15.61 C +ATOM 2852 O LEU A 375 109.527 30.424 18.608 1.00 15.30 O +ATOM 2853 CB LEU A 375 107.974 27.795 19.540 1.00 11.35 C +ATOM 2854 CG LEU A 375 107.865 26.281 19.591 1.00 7.63 C +ATOM 2855 CD1 LEU A 375 107.527 25.864 20.974 1.00 8.78 C +ATOM 2856 CD2 LEU A 375 106.831 25.800 18.626 1.00 6.43 C +ATOM 2857 N PRO A 376 107.606 30.452 17.428 1.00 15.01 N +ATOM 2858 CA PRO A 376 107.623 31.909 17.360 1.00 14.38 C +ATOM 2859 C PRO A 376 107.685 32.539 18.744 1.00 14.47 C +ATOM 2860 O PRO A 376 107.153 31.980 19.706 1.00 14.98 O +ATOM 2861 CB PRO A 376 106.327 32.231 16.603 1.00 13.06 C +ATOM 2862 CG PRO A 376 105.505 31.028 16.750 1.00 13.90 C +ATOM 2863 CD PRO A 376 106.509 29.928 16.607 1.00 14.69 C +ATOM 2864 N ALA A 377 108.370 33.681 18.839 1.00 14.22 N +ATOM 2865 CA ALA A 377 108.538 34.390 20.110 1.00 13.15 C +ATOM 2866 C ALA A 377 107.761 35.685 20.219 1.00 12.71 C +ATOM 2867 O ALA A 377 107.549 36.213 21.308 1.00 13.19 O +ATOM 2868 CB ALA A 377 109.978 34.644 20.361 1.00 13.48 C +ATOM 2869 N HIS A 378 107.336 36.211 19.088 1.00 12.72 N +ATOM 2870 CA HIS A 378 106.570 37.436 19.108 1.00 13.18 C +ATOM 2871 C HIS A 378 105.072 37.105 19.198 1.00 15.73 C +ATOM 2872 O HIS A 378 104.580 36.136 18.574 1.00 15.89 O +ATOM 2873 CB HIS A 378 106.863 38.252 17.865 1.00 12.46 C +ATOM 2874 CG HIS A 378 106.498 37.556 16.602 1.00 13.88 C +ATOM 2875 ND1 HIS A 378 107.151 36.424 16.165 1.00 16.59 N +ATOM 2876 CD2 HIS A 378 105.532 37.809 15.691 1.00 14.49 C +ATOM 2877 CE1 HIS A 378 106.604 36.011 15.039 1.00 16.90 C +ATOM 2878 NE2 HIS A 378 105.619 36.836 14.731 1.00 15.93 N +ATOM 2879 N THR A 379 104.369 37.917 19.989 1.00 16.37 N +ATOM 2880 CA THR A 379 102.946 37.788 20.232 1.00 14.64 C +ATOM 2881 C THR A 379 102.157 37.781 18.958 1.00 14.49 C +ATOM 2882 O THR A 379 102.463 38.498 18.022 1.00 13.42 O +ATOM 2883 CB THR A 379 102.467 38.910 21.129 1.00 14.28 C +ATOM 2884 OG1 THR A 379 103.287 38.920 22.294 1.00 14.61 O +ATOM 2885 CG2 THR A 379 101.016 38.689 21.573 1.00 16.63 C +ATOM 2886 N GLY A 380 101.139 36.945 18.929 1.00 16.50 N +ATOM 2887 CA GLY A 380 100.328 36.836 17.744 1.00 19.00 C +ATOM 2888 C GLY A 380 99.299 37.926 17.658 1.00 19.39 C +ATOM 2889 O GLY A 380 99.252 38.815 18.504 1.00 18.79 O +ATOM 2890 N TYR A 381 98.481 37.837 16.617 1.00 20.65 N +ATOM 2891 CA TYR A 381 97.412 38.783 16.377 1.00 21.45 C +ATOM 2892 C TYR A 381 96.240 38.413 17.263 1.00 21.11 C +ATOM 2893 O TYR A 381 96.016 37.245 17.566 1.00 22.48 O +ATOM 2894 CB TYR A 381 96.983 38.742 14.907 1.00 21.14 C +ATOM 2895 CG TYR A 381 97.981 39.363 13.967 1.00 22.41 C +ATOM 2896 CD1 TYR A 381 98.665 40.522 14.314 1.00 21.13 C +ATOM 2897 CD2 TYR A 381 98.245 38.785 12.726 1.00 23.85 C +ATOM 2898 CE1 TYR A 381 99.583 41.082 13.456 1.00 22.88 C +ATOM 2899 CE2 TYR A 381 99.161 39.338 11.854 1.00 22.62 C +ATOM 2900 CZ TYR A 381 99.832 40.486 12.218 1.00 23.64 C +ATOM 2901 OH TYR A 381 100.764 41.038 11.354 1.00 25.24 O +ATOM 2902 N ARG A 382 95.502 39.416 17.692 1.00 21.43 N +ATOM 2903 CA ARG A 382 94.343 39.187 18.530 1.00 23.16 C +ATOM 2904 C ARG A 382 93.146 39.107 17.566 1.00 22.91 C +ATOM 2905 O ARG A 382 93.035 39.917 16.644 1.00 23.20 O +ATOM 2906 CB ARG A 382 94.194 40.352 19.513 1.00 23.68 C +ATOM 2907 CG ARG A 382 95.512 40.921 19.982 1.00 24.56 C +ATOM 2908 CD ARG A 382 95.853 40.509 21.373 1.00 27.73 C +ATOM 2909 NE ARG A 382 96.394 41.653 22.106 1.00 32.20 N +ATOM 2910 CZ ARG A 382 97.084 41.573 23.243 1.00 34.68 C +ATOM 2911 NH1 ARG A 382 97.345 40.385 23.797 1.00 38.44 N +ATOM 2912 NH2 ARG A 382 97.484 42.683 23.855 1.00 34.79 N +ATOM 2913 N ILE A 383 92.253 38.146 17.772 1.00 21.99 N +ATOM 2914 CA ILE A 383 91.111 37.995 16.884 1.00 20.95 C +ATOM 2915 C ILE A 383 90.260 39.267 16.725 1.00 21.15 C +ATOM 2916 O ILE A 383 89.571 39.428 15.714 1.00 20.17 O +ATOM 2917 CB ILE A 383 90.237 36.753 17.285 1.00 20.87 C +ATOM 2918 CG1 ILE A 383 89.161 36.464 16.234 1.00 20.01 C +ATOM 2919 CG2 ILE A 383 89.598 36.964 18.626 1.00 19.31 C +ATOM 2920 CD1 ILE A 383 89.708 36.078 14.888 1.00 18.53 C +ATOM 2921 N SER A 384 90.296 40.171 17.706 1.00 21.95 N +ATOM 2922 CA SER A 384 89.517 41.417 17.601 1.00 21.90 C +ATOM 2923 C SER A 384 90.120 42.400 16.586 1.00 22.68 C +ATOM 2924 O SER A 384 89.466 43.348 16.180 1.00 24.50 O +ATOM 2925 CB SER A 384 89.360 42.099 18.965 1.00 21.24 C +ATOM 2926 OG SER A 384 90.596 42.568 19.468 1.00 20.36 O +ATOM 2927 N GLU A 385 91.348 42.148 16.150 1.00 22.70 N +ATOM 2928 CA GLU A 385 92.013 42.999 15.171 1.00 23.56 C +ATOM 2929 C GLU A 385 91.837 42.426 13.776 1.00 24.34 C +ATOM 2930 O GLU A 385 92.342 43.009 12.804 1.00 25.88 O +ATOM 2931 CB GLU A 385 93.523 43.041 15.422 1.00 24.62 C +ATOM 2932 CG GLU A 385 93.930 43.305 16.853 1.00 28.75 C +ATOM 2933 CD GLU A 385 95.422 43.096 17.093 1.00 30.84 C +ATOM 2934 OE1 GLU A 385 96.085 42.412 16.269 1.00 30.79 O +ATOM 2935 OE2 GLU A 385 95.926 43.611 18.123 1.00 31.77 O +ATOM 2936 N LEU A 386 91.164 41.276 13.666 1.00 23.56 N +ATOM 2937 CA LEU A 386 91.004 40.594 12.372 1.00 21.39 C +ATOM 2938 C LEU A 386 90.614 41.517 11.238 1.00 20.54 C +ATOM 2939 O LEU A 386 91.349 41.640 10.265 1.00 20.93 O +ATOM 2940 CB LEU A 386 90.039 39.393 12.465 1.00 20.11 C +ATOM 2941 CG LEU A 386 89.857 38.463 11.242 1.00 18.69 C +ATOM 2942 CD1 LEU A 386 91.183 37.958 10.697 1.00 16.14 C +ATOM 2943 CD2 LEU A 386 88.968 37.295 11.603 1.00 15.61 C +ATOM 2944 N PRO A 387 89.518 42.266 11.397 1.00 19.51 N +ATOM 2945 CA PRO A 387 89.087 43.175 10.331 1.00 19.37 C +ATOM 2946 C PRO A 387 90.165 44.173 9.914 1.00 19.17 C +ATOM 2947 O PRO A 387 90.237 44.567 8.752 1.00 20.79 O +ATOM 2948 CB PRO A 387 87.883 43.890 10.955 1.00 19.69 C +ATOM 2949 CG PRO A 387 87.362 42.918 11.978 1.00 19.36 C +ATOM 2950 CD PRO A 387 88.647 42.390 12.579 1.00 19.46 C +ATOM 2951 N HIS A 388 91.009 44.571 10.858 1.00 18.63 N +ATOM 2952 CA HIS A 388 92.063 45.529 10.578 1.00 17.97 C +ATOM 2953 C HIS A 388 93.238 44.918 9.845 1.00 19.34 C +ATOM 2954 O HIS A 388 93.843 45.574 8.991 1.00 18.29 O +ATOM 2955 CB HIS A 388 92.581 46.165 11.854 1.00 16.39 C +ATOM 2956 CG HIS A 388 93.877 46.880 11.664 1.00 16.72 C +ATOM 2957 ND1 HIS A 388 93.952 48.132 11.090 1.00 17.75 N +ATOM 2958 CD2 HIS A 388 95.153 46.495 11.905 1.00 16.32 C +ATOM 2959 CE1 HIS A 388 95.221 48.486 10.982 1.00 19.42 C +ATOM 2960 NE2 HIS A 388 95.969 47.509 11.468 1.00 18.61 N +ATOM 2961 N ARG A 389 93.631 43.716 10.273 1.00 20.76 N +ATOM 2962 CA ARG A 389 94.755 42.990 9.673 1.00 20.67 C +ATOM 2963 C ARG A 389 94.343 42.532 8.281 1.00 21.23 C +ATOM 2964 O ARG A 389 95.110 42.607 7.319 1.00 20.82 O +ATOM 2965 CB ARG A 389 95.065 41.744 10.494 1.00 21.73 C +ATOM 2966 CG ARG A 389 95.352 41.971 11.950 1.00 22.04 C +ATOM 2967 CD ARG A 389 96.709 42.528 12.159 1.00 21.52 C +ATOM 2968 NE ARG A 389 96.797 43.053 13.505 1.00 24.80 N +ATOM 2969 CZ ARG A 389 97.826 43.738 13.976 1.00 25.56 C +ATOM 2970 NH1 ARG A 389 98.880 43.972 13.208 1.00 26.44 N +ATOM 2971 NH2 ARG A 389 97.770 44.242 15.198 1.00 25.66 N +ATOM 2972 N ALA A 390 93.111 42.052 8.206 1.00 20.85 N +ATOM 2973 CA ALA A 390 92.525 41.558 6.992 1.00 20.62 C +ATOM 2974 C ALA A 390 92.489 42.648 5.952 1.00 21.48 C +ATOM 2975 O ALA A 390 92.852 42.441 4.801 1.00 22.89 O +ATOM 2976 CB ALA A 390 91.137 41.089 7.285 1.00 20.67 C +ATOM 2977 N ALA A 391 92.043 43.823 6.360 1.00 23.00 N +ATOM 2978 CA ALA A 391 91.942 44.945 5.433 1.00 23.13 C +ATOM 2979 C ALA A 391 93.301 45.353 4.946 1.00 22.04 C +ATOM 2980 O ALA A 391 93.472 45.684 3.790 1.00 24.54 O +ATOM 2981 CB ALA A 391 91.262 46.124 6.103 1.00 22.99 C +ATOM 2982 N HIS A 392 94.279 45.295 5.835 1.00 20.97 N +ATOM 2983 CA HIS A 392 95.622 45.697 5.495 1.00 20.21 C +ATOM 2984 C HIS A 392 96.401 44.640 4.744 1.00 20.85 C +ATOM 2985 O HIS A 392 97.517 44.893 4.305 1.00 22.58 O +ATOM 2986 CB HIS A 392 96.370 46.128 6.754 1.00 19.33 C +ATOM 2987 CG HIS A 392 96.039 47.516 7.206 1.00 20.81 C +ATOM 2988 ND1 HIS A 392 96.923 48.565 7.101 1.00 23.52 N +ATOM 2989 CD2 HIS A 392 94.917 48.033 7.764 1.00 22.61 C +ATOM 2990 CE1 HIS A 392 96.365 49.668 7.574 1.00 23.53 C +ATOM 2991 NE2 HIS A 392 95.146 49.370 7.981 1.00 22.70 N +ATOM 2992 N GLY A 393 95.821 43.456 4.588 1.00 21.10 N +ATOM 2993 CA GLY A 393 96.516 42.385 3.890 1.00 20.38 C +ATOM 2994 C GLY A 393 97.604 41.837 4.787 1.00 20.62 C +ATOM 2995 O GLY A 393 98.586 41.241 4.338 1.00 22.41 O +ATOM 2996 N GLU A 394 97.424 42.064 6.076 1.00 19.26 N +ATOM 2997 CA GLU A 394 98.357 41.620 7.079 1.00 19.22 C +ATOM 2998 C GLU A 394 98.035 40.188 7.434 1.00 17.83 C +ATOM 2999 O GLU A 394 98.892 39.459 7.909 1.00 19.33 O +ATOM 3000 CB GLU A 394 98.192 42.497 8.294 1.00 21.88 C +ATOM 3001 CG GLU A 394 99.414 42.651 9.119 1.00 25.12 C +ATOM 3002 CD GLU A 394 99.473 44.028 9.706 1.00 27.34 C +ATOM 3003 OE1 GLU A 394 98.588 44.373 10.517 1.00 28.09 O +ATOM 3004 OE2 GLU A 394 100.376 44.785 9.308 1.00 31.60 O +ATOM 3005 N VAL A 395 96.771 39.819 7.263 1.00 16.11 N +ATOM 3006 CA VAL A 395 96.267 38.473 7.521 1.00 14.17 C +ATOM 3007 C VAL A 395 95.499 38.082 6.252 1.00 15.06 C +ATOM 3008 O VAL A 395 94.864 38.929 5.630 1.00 14.66 O +ATOM 3009 CB VAL A 395 95.375 38.447 8.760 1.00 12.17 C +ATOM 3010 CG1 VAL A 395 94.562 37.203 8.788 1.00 11.61 C +ATOM 3011 CG2 VAL A 395 96.232 38.524 10.005 1.00 10.86 C +ATOM 3012 N ARG A 396 95.591 36.820 5.844 1.00 16.75 N +ATOM 3013 CA ARG A 396 94.965 36.354 4.606 1.00 18.92 C +ATOM 3014 C ARG A 396 94.026 35.145 4.664 1.00 18.41 C +ATOM 3015 O ARG A 396 93.382 34.788 3.658 1.00 18.51 O +ATOM 3016 CB ARG A 396 96.041 36.125 3.535 1.00 21.32 C +ATOM 3017 CG ARG A 396 96.583 37.441 2.986 1.00 23.69 C +ATOM 3018 CD ARG A 396 97.775 37.254 2.093 1.00 25.41 C +ATOM 3019 NE ARG A 396 98.411 38.549 1.931 1.00 29.67 N +ATOM 3020 CZ ARG A 396 98.706 39.132 0.770 1.00 31.35 C +ATOM 3021 NH1 ARG A 396 98.448 38.541 -0.395 1.00 29.34 N +ATOM 3022 NH2 ARG A 396 99.254 40.341 0.786 1.00 32.99 N +ATOM 3023 N ALA A 397 93.915 34.557 5.846 1.00 15.67 N +ATOM 3024 CA ALA A 397 93.066 33.408 6.035 1.00 14.37 C +ATOM 3025 C ALA A 397 92.801 33.302 7.513 1.00 14.80 C +ATOM 3026 O ALA A 397 93.649 33.676 8.327 1.00 17.16 O +ATOM 3027 CB ALA A 397 93.763 32.162 5.540 1.00 14.11 C +ATOM 3028 N ALA A 398 91.615 32.840 7.873 1.00 13.40 N +ATOM 3029 CA ALA A 398 91.292 32.680 9.275 1.00 14.32 C +ATOM 3030 C ALA A 398 90.713 31.303 9.477 1.00 14.19 C +ATOM 3031 O ALA A 398 89.873 30.851 8.693 1.00 17.26 O +ATOM 3032 CB ALA A 398 90.299 33.742 9.742 1.00 13.85 C +ATOM 3033 N TYR A 399 91.175 30.631 10.516 1.00 11.92 N +ATOM 3034 CA TYR A 399 90.685 29.312 10.830 1.00 10.66 C +ATOM 3035 C TYR A 399 89.814 29.549 12.053 1.00 10.08 C +ATOM 3036 O TYR A 399 90.258 29.354 13.178 1.00 11.34 O +ATOM 3037 CB TYR A 399 91.869 28.378 11.141 1.00 9.35 C +ATOM 3038 CG TYR A 399 91.515 26.915 11.270 1.00 6.74 C +ATOM 3039 CD1 TYR A 399 90.187 26.510 11.379 1.00 7.90 C +ATOM 3040 CD2 TYR A 399 92.505 25.937 11.314 1.00 5.35 C +ATOM 3041 CE1 TYR A 399 89.848 25.175 11.538 1.00 8.03 C +ATOM 3042 CE2 TYR A 399 92.180 24.592 11.468 1.00 6.29 C +ATOM 3043 CZ TYR A 399 90.845 24.229 11.587 1.00 8.45 C +ATOM 3044 OH TYR A 399 90.490 22.934 11.836 1.00 10.76 O +ATOM 3045 N ILE A 400 88.603 30.050 11.825 1.00 9.05 N +ATOM 3046 CA ILE A 400 87.649 30.334 12.892 1.00 6.73 C +ATOM 3047 C ILE A 400 86.973 29.063 13.381 1.00 8.12 C +ATOM 3048 O ILE A 400 86.272 28.387 12.624 1.00 9.84 O +ATOM 3049 CB ILE A 400 86.586 31.316 12.409 1.00 5.14 C +ATOM 3050 CG1 ILE A 400 87.216 32.700 12.230 1.00 4.09 C +ATOM 3051 CG2 ILE A 400 85.399 31.332 13.359 1.00 4.53 C +ATOM 3052 CD1 ILE A 400 86.875 33.348 10.933 1.00 3.81 C +ATOM 3053 N MET A 401 87.203 28.718 14.641 1.00 8.26 N +ATOM 3054 CA MET A 401 86.610 27.527 15.209 1.00 9.87 C +ATOM 3055 C MET A 401 85.667 27.908 16.349 1.00 12.15 C +ATOM 3056 O MET A 401 85.870 28.914 17.026 1.00 14.59 O +ATOM 3057 CB MET A 401 87.704 26.586 15.713 1.00 9.53 C +ATOM 3058 CG MET A 401 87.193 25.376 16.510 1.00 9.40 C +ATOM 3059 SD MET A 401 88.529 24.285 17.044 1.00 8.39 S +ATOM 3060 CE MET A 401 89.008 25.066 18.606 1.00 7.37 C +ATOM 3061 N GLY A 402 84.594 27.141 16.493 1.00 11.87 N +ATOM 3062 CA GLY A 402 83.624 27.351 17.548 1.00 11.72 C +ATOM 3063 C GLY A 402 83.281 28.760 17.953 1.00 12.52 C +ATOM 3064 O GLY A 402 83.252 29.079 19.156 1.00 11.60 O +ATOM 3065 N GLU A 403 83.002 29.604 16.963 1.00 13.98 N +ATOM 3066 CA GLU A 403 82.639 31.001 17.233 1.00 14.07 C +ATOM 3067 C GLU A 403 81.666 31.559 16.211 1.00 14.20 C +ATOM 3068 O GLU A 403 81.621 31.097 15.073 1.00 13.09 O +ATOM 3069 CB GLU A 403 83.863 31.888 17.202 1.00 12.91 C +ATOM 3070 CG GLU A 403 84.916 31.538 18.179 1.00 14.27 C +ATOM 3071 CD GLU A 403 85.936 32.634 18.298 1.00 17.75 C +ATOM 3072 OE1 GLU A 403 85.881 33.567 17.442 1.00 18.36 O +ATOM 3073 OE2 GLU A 403 86.768 32.569 19.253 1.00 17.28 O +ATOM 3074 N ASP A 404 80.929 32.592 16.609 1.00 15.10 N +ATOM 3075 CA ASP A 404 79.995 33.234 15.704 1.00 15.95 C +ATOM 3076 C ASP A 404 80.224 34.731 15.629 1.00 17.63 C +ATOM 3077 O ASP A 404 79.321 35.516 15.927 1.00 19.45 O +ATOM 3078 CB ASP A 404 78.562 32.974 16.122 1.00 14.17 C +ATOM 3079 CG ASP A 404 77.599 33.208 15.002 1.00 14.29 C +ATOM 3080 OD1 ASP A 404 78.021 33.232 13.827 1.00 15.95 O +ATOM 3081 OD2 ASP A 404 76.406 33.374 15.278 1.00 16.77 O +ATOM 3082 N PRO A 405 81.403 35.153 15.142 1.00 18.78 N +ATOM 3083 CA PRO A 405 81.704 36.584 15.043 1.00 18.73 C +ATOM 3084 C PRO A 405 80.647 37.419 14.327 1.00 18.93 C +ATOM 3085 O PRO A 405 80.229 38.427 14.855 1.00 19.32 O +ATOM 3086 CB PRO A 405 83.058 36.604 14.318 1.00 19.20 C +ATOM 3087 CG PRO A 405 83.044 35.352 13.508 1.00 18.88 C +ATOM 3088 CD PRO A 405 82.454 34.359 14.481 1.00 18.98 C +ATOM 3089 N LEU A 406 80.158 36.944 13.183 1.00 20.35 N +ATOM 3090 CA LEU A 406 79.152 37.659 12.396 1.00 20.72 C +ATOM 3091 C LEU A 406 77.846 37.935 13.115 1.00 21.74 C +ATOM 3092 O LEU A 406 76.890 38.393 12.506 1.00 24.87 O +ATOM 3093 CB LEU A 406 78.835 36.930 11.090 1.00 19.86 C +ATOM 3094 CG LEU A 406 79.776 37.057 9.894 1.00 18.74 C +ATOM 3095 CD1 LEU A 406 79.154 36.357 8.735 1.00 19.43 C +ATOM 3096 CD2 LEU A 406 79.994 38.483 9.522 1.00 19.16 C +ATOM 3097 N GLN A 407 77.776 37.634 14.397 1.00 22.11 N +ATOM 3098 CA GLN A 407 76.578 37.894 15.171 1.00 21.83 C +ATOM 3099 C GLN A 407 77.050 38.451 16.521 1.00 23.44 C +ATOM 3100 O GLN A 407 76.409 39.340 17.079 1.00 24.56 O +ATOM 3101 CB GLN A 407 75.782 36.596 15.313 1.00 20.46 C +ATOM 3102 CG GLN A 407 74.797 36.538 16.453 1.00 21.64 C +ATOM 3103 CD GLN A 407 73.629 37.482 16.282 1.00 24.98 C +ATOM 3104 OE1 GLN A 407 73.207 37.772 15.166 1.00 25.59 O +ATOM 3105 NE2 GLN A 407 73.061 37.930 17.398 1.00 27.35 N +ATOM 3106 N THR A 408 78.202 37.999 17.018 1.00 23.32 N +ATOM 3107 CA THR A 408 78.694 38.485 18.309 1.00 23.78 C +ATOM 3108 C THR A 408 79.733 39.615 18.330 1.00 24.93 C +ATOM 3109 O THR A 408 79.883 40.308 19.354 1.00 24.83 O +ATOM 3110 CB THR A 408 79.226 37.352 19.151 1.00 22.53 C +ATOM 3111 OG1 THR A 408 79.968 36.460 18.317 1.00 22.22 O +ATOM 3112 CG2 THR A 408 78.096 36.637 19.834 1.00 22.48 C +ATOM 3113 N ASP A 409 80.446 39.799 17.222 1.00 24.22 N +ATOM 3114 CA ASP A 409 81.452 40.840 17.149 1.00 24.68 C +ATOM 3115 C ASP A 409 80.842 42.220 17.045 1.00 24.40 C +ATOM 3116 O ASP A 409 79.802 42.396 16.426 1.00 24.23 O +ATOM 3117 CB ASP A 409 82.385 40.587 15.982 1.00 27.55 C +ATOM 3118 CG ASP A 409 83.376 39.471 16.264 1.00 32.04 C +ATOM 3119 OD1 ASP A 409 83.061 38.567 17.080 1.00 35.66 O +ATOM 3120 OD2 ASP A 409 84.479 39.499 15.680 1.00 34.22 O +ATOM 3121 N ALA A 410 81.462 43.185 17.721 1.00 24.40 N +ATOM 3122 CA ALA A 410 80.997 44.575 17.694 1.00 23.58 C +ATOM 3123 C ALA A 410 81.146 45.107 16.283 1.00 22.23 C +ATOM 3124 O ALA A 410 82.099 44.770 15.595 1.00 22.61 O +ATOM 3125 CB ALA A 410 81.803 45.428 18.669 1.00 22.96 C +ATOM 3126 N GLU A 411 80.164 45.868 15.825 1.00 23.14 N +ATOM 3127 CA GLU A 411 80.223 46.439 14.478 1.00 24.82 C +ATOM 3128 C GLU A 411 80.209 45.366 13.364 1.00 25.12 C +ATOM 3129 O GLU A 411 81.062 45.364 12.466 1.00 24.19 O +ATOM 3130 CB GLU A 411 81.474 47.311 14.374 1.00 25.23 C +ATOM 3131 CG GLU A 411 81.534 48.194 13.165 1.00 26.95 C +ATOM 3132 CD GLU A 411 82.203 49.505 13.465 1.00 28.55 C +ATOM 3133 OE1 GLU A 411 82.554 49.752 14.647 1.00 29.63 O +ATOM 3134 OE2 GLU A 411 82.353 50.303 12.518 1.00 28.78 O +ATOM 3135 N LEU A 412 79.210 44.483 13.413 1.00 24.87 N +ATOM 3136 CA LEU A 412 79.042 43.393 12.447 1.00 23.63 C +ATOM 3137 C LEU A 412 79.291 43.735 10.955 1.00 23.36 C +ATOM 3138 O LEU A 412 79.684 42.866 10.166 1.00 20.58 O +ATOM 3139 CB LEU A 412 77.664 42.753 12.643 1.00 22.40 C +ATOM 3140 CG LEU A 412 77.400 42.182 14.045 1.00 21.12 C +ATOM 3141 CD1 LEU A 412 76.019 41.557 14.113 1.00 20.00 C +ATOM 3142 CD2 LEU A 412 78.445 41.140 14.367 1.00 20.60 C +ATOM 3143 N SER A 413 79.094 44.998 10.585 1.00 24.62 N +ATOM 3144 CA SER A 413 79.333 45.424 9.205 1.00 26.60 C +ATOM 3145 C SER A 413 80.820 45.310 8.920 1.00 27.56 C +ATOM 3146 O SER A 413 81.225 44.932 7.815 1.00 29.40 O +ATOM 3147 CB SER A 413 78.856 46.866 8.973 1.00 27.55 C +ATOM 3148 OG SER A 413 79.484 47.790 9.847 1.00 28.83 O +ATOM 3149 N ALA A 414 81.627 45.606 9.937 1.00 27.81 N +ATOM 3150 CA ALA A 414 83.084 45.522 9.833 1.00 27.53 C +ATOM 3151 C ALA A 414 83.532 44.088 9.625 1.00 27.58 C +ATOM 3152 O ALA A 414 84.352 43.815 8.754 1.00 28.01 O +ATOM 3153 CB ALA A 414 83.738 46.089 11.080 1.00 27.08 C +ATOM 3154 N VAL A 415 82.976 43.166 10.405 1.00 28.64 N +ATOM 3155 CA VAL A 415 83.343 41.756 10.301 1.00 30.02 C +ATOM 3156 C VAL A 415 82.935 41.158 8.964 1.00 30.61 C +ATOM 3157 O VAL A 415 83.566 40.227 8.486 1.00 29.59 O +ATOM 3158 CB VAL A 415 82.731 40.914 11.425 1.00 30.47 C +ATOM 3159 CG1 VAL A 415 83.314 39.504 11.398 1.00 31.16 C +ATOM 3160 CG2 VAL A 415 82.989 41.570 12.763 1.00 31.68 C +ATOM 3161 N ARG A 416 81.859 41.670 8.378 1.00 32.36 N +ATOM 3162 CA ARG A 416 81.440 41.163 7.086 1.00 33.82 C +ATOM 3163 C ARG A 416 82.520 41.489 6.050 1.00 34.19 C +ATOM 3164 O ARG A 416 83.064 40.580 5.431 1.00 35.06 O +ATOM 3165 CB ARG A 416 80.072 41.715 6.700 1.00 34.53 C +ATOM 3166 CG ARG A 416 78.958 41.183 7.600 1.00 37.19 C +ATOM 3167 CD ARG A 416 77.615 41.811 7.301 1.00 39.03 C +ATOM 3168 NE ARG A 416 76.858 41.109 6.274 1.00 43.55 N +ATOM 3169 CZ ARG A 416 76.314 41.687 5.203 1.00 46.12 C +ATOM 3170 NH1 ARG A 416 76.452 42.996 5.003 1.00 47.29 N +ATOM 3171 NH2 ARG A 416 75.598 40.958 4.345 1.00 45.66 N +ATOM 3172 N LYS A 417 82.892 42.763 5.922 1.00 33.52 N +ATOM 3173 CA LYS A 417 83.933 43.160 4.968 1.00 32.11 C +ATOM 3174 C LYS A 417 85.194 42.371 5.284 1.00 31.03 C +ATOM 3175 O LYS A 417 85.952 42.003 4.377 1.00 30.83 O +ATOM 3176 CB LYS A 417 84.253 44.651 5.105 1.00 33.36 C +ATOM 3177 CG LYS A 417 85.126 45.214 3.995 1.00 35.54 C +ATOM 3178 CD LYS A 417 84.304 45.474 2.735 1.00 39.62 C +ATOM 3179 CE LYS A 417 85.030 46.410 1.737 1.00 42.48 C +ATOM 3180 NZ LYS A 417 84.127 47.030 0.696 1.00 40.95 N +ATOM 3181 N ALA A 418 85.426 42.131 6.578 1.00 29.29 N +ATOM 3182 CA ALA A 418 86.598 41.386 7.030 1.00 26.40 C +ATOM 3183 C ALA A 418 86.555 40.041 6.339 1.00 24.98 C +ATOM 3184 O ALA A 418 87.502 39.665 5.643 1.00 25.06 O +ATOM 3185 CB ALA A 418 86.593 41.217 8.552 1.00 24.14 C +ATOM 3186 N PHE A 419 85.415 39.367 6.463 1.00 23.54 N +ATOM 3187 CA PHE A 419 85.205 38.068 5.837 1.00 23.49 C +ATOM 3188 C PHE A 419 85.366 38.173 4.326 1.00 22.97 C +ATOM 3189 O PHE A 419 85.733 37.209 3.679 1.00 22.59 O +ATOM 3190 CB PHE A 419 83.811 37.525 6.183 1.00 23.54 C +ATOM 3191 CG PHE A 419 83.799 36.557 7.351 1.00 23.71 C +ATOM 3192 CD1 PHE A 419 84.694 36.701 8.407 1.00 23.63 C +ATOM 3193 CD2 PHE A 419 82.914 35.476 7.365 1.00 22.49 C +ATOM 3194 CE1 PHE A 419 84.714 35.782 9.449 1.00 23.57 C +ATOM 3195 CE2 PHE A 419 82.929 34.552 8.397 1.00 21.95 C +ATOM 3196 CZ PHE A 419 83.826 34.701 9.441 1.00 23.75 C +ATOM 3197 N GLU A 420 85.133 39.371 3.798 1.00 25.06 N +ATOM 3198 CA GLU A 420 85.220 39.677 2.373 1.00 26.89 C +ATOM 3199 C GLU A 420 86.624 40.093 1.961 1.00 25.48 C +ATOM 3200 O GLU A 420 86.941 40.076 0.781 1.00 26.50 O +ATOM 3201 CB GLU A 420 84.197 40.773 1.995 1.00 31.93 C +ATOM 3202 CG GLU A 420 84.298 41.317 0.545 1.00 39.43 C +ATOM 3203 CD GLU A 420 84.218 42.871 0.445 1.00 43.98 C +ATOM 3204 OE1 GLU A 420 83.129 43.443 0.730 1.00 44.44 O +ATOM 3205 OE2 GLU A 420 85.244 43.512 0.071 1.00 44.97 O +ATOM 3206 N ASP A 421 87.463 40.478 2.918 1.00 24.55 N +ATOM 3207 CA ASP A 421 88.833 40.869 2.597 1.00 24.29 C +ATOM 3208 C ASP A 421 89.841 39.733 2.755 1.00 25.04 C +ATOM 3209 O ASP A 421 91.009 39.890 2.378 1.00 26.88 O +ATOM 3210 CB ASP A 421 89.282 42.056 3.447 1.00 23.85 C +ATOM 3211 CG ASP A 421 88.623 43.372 3.038 1.00 24.55 C +ATOM 3212 OD1 ASP A 421 88.269 43.566 1.848 1.00 25.40 O +ATOM 3213 OD2 ASP A 421 88.477 44.234 3.925 1.00 24.89 O +ATOM 3214 N LEU A 422 89.412 38.613 3.348 1.00 24.46 N +ATOM 3215 CA LEU A 422 90.284 37.450 3.567 1.00 22.19 C +ATOM 3216 C LEU A 422 90.268 36.548 2.345 1.00 21.65 C +ATOM 3217 O LEU A 422 89.262 36.456 1.675 1.00 20.61 O +ATOM 3218 CB LEU A 422 89.833 36.669 4.807 1.00 20.25 C +ATOM 3219 CG LEU A 422 89.999 37.367 6.164 1.00 19.06 C +ATOM 3220 CD1 LEU A 422 89.128 36.687 7.218 1.00 17.50 C +ATOM 3221 CD2 LEU A 422 91.464 37.381 6.589 1.00 16.01 C +ATOM 3222 N GLU A 423 91.399 35.922 2.032 1.00 23.18 N +ATOM 3223 CA GLU A 423 91.490 35.031 0.873 1.00 23.12 C +ATOM 3224 C GLU A 423 90.620 33.832 1.144 1.00 24.07 C +ATOM 3225 O GLU A 423 89.749 33.477 0.341 1.00 25.81 O +ATOM 3226 CB GLU A 423 92.920 34.507 0.664 1.00 22.96 C +ATOM 3227 CG GLU A 423 93.939 35.488 0.096 1.00 26.88 C +ATOM 3228 CD GLU A 423 95.116 34.789 -0.611 1.00 29.98 C +ATOM 3229 OE1 GLU A 423 95.034 33.568 -0.898 1.00 32.59 O +ATOM 3230 OE2 GLU A 423 96.119 35.466 -0.911 1.00 30.43 O +ATOM 3231 N LEU A 424 90.888 33.211 2.293 1.00 23.46 N +ATOM 3232 CA LEU A 424 90.214 32.004 2.740 1.00 21.25 C +ATOM 3233 C LEU A 424 89.680 32.172 4.152 1.00 21.17 C +ATOM 3234 O LEU A 424 90.368 32.707 5.009 1.00 22.49 O +ATOM 3235 CB LEU A 424 91.234 30.877 2.747 1.00 19.96 C +ATOM 3236 CG LEU A 424 90.807 29.538 3.315 1.00 19.72 C +ATOM 3237 CD1 LEU A 424 89.735 28.926 2.433 1.00 20.14 C +ATOM 3238 CD2 LEU A 424 92.016 28.646 3.366 1.00 19.74 C +ATOM 3239 N VAL A 425 88.474 31.675 4.403 1.00 20.09 N +ATOM 3240 CA VAL A 425 87.847 31.745 5.721 1.00 17.38 C +ATOM 3241 C VAL A 425 87.282 30.356 6.045 1.00 17.21 C +ATOM 3242 O VAL A 425 86.376 29.870 5.350 1.00 17.31 O +ATOM 3243 CB VAL A 425 86.702 32.735 5.727 1.00 15.89 C +ATOM 3244 CG1 VAL A 425 85.944 32.649 7.055 1.00 15.93 C +ATOM 3245 CG2 VAL A 425 87.228 34.128 5.476 1.00 15.42 C +ATOM 3246 N ILE A 426 87.821 29.726 7.084 1.00 14.36 N +ATOM 3247 CA ILE A 426 87.405 28.390 7.487 1.00 11.72 C +ATOM 3248 C ILE A 426 86.681 28.440 8.823 1.00 11.13 C +ATOM 3249 O ILE A 426 87.213 28.957 9.814 1.00 10.41 O +ATOM 3250 CB ILE A 426 88.628 27.475 7.644 1.00 11.31 C +ATOM 3251 CG1 ILE A 426 89.457 27.491 6.355 1.00 10.71 C +ATOM 3252 CG2 ILE A 426 88.192 26.077 8.061 1.00 8.38 C +ATOM 3253 CD1 ILE A 426 90.923 27.241 6.569 1.00 10.81 C +ATOM 3254 N VAL A 427 85.480 27.879 8.849 1.00 8.58 N +ATOM 3255 CA VAL A 427 84.694 27.860 10.056 1.00 6.23 C +ATOM 3256 C VAL A 427 84.491 26.439 10.468 1.00 5.34 C +ATOM 3257 O VAL A 427 84.072 25.594 9.677 1.00 4.49 O +ATOM 3258 CB VAL A 427 83.315 28.523 9.865 1.00 6.72 C +ATOM 3259 CG1 VAL A 427 82.455 28.340 11.120 1.00 7.65 C +ATOM 3260 CG2 VAL A 427 83.484 29.997 9.558 1.00 6.71 C +ATOM 3261 N GLN A 428 84.809 26.173 11.718 1.00 5.50 N +ATOM 3262 CA GLN A 428 84.643 24.845 12.264 1.00 6.92 C +ATOM 3263 C GLN A 428 83.584 25.016 13.341 1.00 7.74 C +ATOM 3264 O GLN A 428 83.827 25.608 14.406 1.00 5.56 O +ATOM 3265 CB GLN A 428 85.960 24.340 12.845 1.00 7.28 C +ATOM 3266 CG GLN A 428 85.973 22.901 13.250 1.00 5.85 C +ATOM 3267 CD GLN A 428 87.360 22.369 13.191 1.00 9.28 C +ATOM 3268 OE1 GLN A 428 87.926 22.238 12.101 1.00 11.59 O +ATOM 3269 NE2 GLN A 428 87.961 22.123 14.349 1.00 9.21 N +ATOM 3270 N ASP A 429 82.393 24.529 13.035 1.00 7.95 N +ATOM 3271 CA ASP A 429 81.301 24.659 13.944 1.00 9.28 C +ATOM 3272 C ASP A 429 80.447 23.399 13.939 1.00 11.16 C +ATOM 3273 O ASP A 429 80.756 22.411 13.268 1.00 11.87 O +ATOM 3274 CB ASP A 429 80.472 25.884 13.585 1.00 8.08 C +ATOM 3275 CG ASP A 429 79.801 26.493 14.781 1.00 9.58 C +ATOM 3276 OD1 ASP A 429 80.403 27.358 15.422 1.00 14.26 O +ATOM 3277 OD2 ASP A 429 78.665 26.127 15.108 1.00 12.26 O +ATOM 3278 N ILE A 430 79.355 23.487 14.688 1.00 10.56 N +ATOM 3279 CA ILE A 430 78.407 22.444 14.924 1.00 8.04 C +ATOM 3280 C ILE A 430 77.012 22.886 14.413 1.00 9.17 C +ATOM 3281 O ILE A 430 76.096 22.074 14.301 1.00 9.37 O +ATOM 3282 CB ILE A 430 78.505 22.178 16.460 1.00 8.24 C +ATOM 3283 CG1 ILE A 430 78.969 20.775 16.725 1.00 10.89 C +ATOM 3284 CG2 ILE A 430 77.287 22.569 17.251 1.00 10.17 C +ATOM 3285 CD1 ILE A 430 80.310 20.737 17.339 1.00 12.70 C +ATOM 3286 N PHE A 431 76.892 24.152 14.004 1.00 9.69 N +ATOM 3287 CA PHE A 431 75.631 24.749 13.493 1.00 8.59 C +ATOM 3288 C PHE A 431 75.826 25.709 12.312 1.00 9.58 C +ATOM 3289 O PHE A 431 76.852 26.396 12.203 1.00 7.42 O +ATOM 3290 CB PHE A 431 74.942 25.550 14.579 1.00 4.79 C +ATOM 3291 CG PHE A 431 74.231 24.729 15.571 1.00 2.00 C +ATOM 3292 CD1 PHE A 431 73.135 23.991 15.209 1.00 3.92 C +ATOM 3293 CD2 PHE A 431 74.612 24.741 16.882 1.00 2.00 C +ATOM 3294 CE1 PHE A 431 72.424 23.275 16.163 1.00 4.48 C +ATOM 3295 CE2 PHE A 431 73.916 24.038 17.834 1.00 2.00 C +ATOM 3296 CZ PHE A 431 72.823 23.307 17.482 1.00 2.87 C +ATOM 3297 N MET A 432 74.817 25.804 11.455 1.00 12.10 N +ATOM 3298 CA MET A 432 74.922 26.697 10.312 1.00 15.29 C +ATOM 3299 C MET A 432 74.641 28.143 10.757 1.00 16.92 C +ATOM 3300 O MET A 432 73.579 28.721 10.499 1.00 18.14 O +ATOM 3301 CB MET A 432 73.987 26.254 9.196 1.00 15.74 C +ATOM 3302 CG MET A 432 74.126 27.087 7.949 1.00 16.99 C +ATOM 3303 SD MET A 432 75.817 27.152 7.401 1.00 20.81 S +ATOM 3304 CE MET A 432 75.877 25.697 6.377 1.00 17.20 C +ATOM 3305 N THR A 433 75.614 28.719 11.450 1.00 17.03 N +ATOM 3306 CA THR A 433 75.496 30.078 11.963 1.00 15.94 C +ATOM 3307 C THR A 433 75.603 31.109 10.833 1.00 16.26 C +ATOM 3308 O THR A 433 75.862 30.763 9.672 1.00 15.76 O +ATOM 3309 CB THR A 433 76.656 30.368 12.952 1.00 14.22 C +ATOM 3310 OG1 THR A 433 77.896 30.284 12.241 1.00 9.47 O +ATOM 3311 CG2 THR A 433 76.654 29.391 14.121 1.00 12.50 C +ATOM 3312 N LYS A 434 75.388 32.375 11.176 1.00 16.27 N +ATOM 3313 CA LYS A 434 75.559 33.426 10.202 1.00 16.71 C +ATOM 3314 C LYS A 434 77.034 33.376 9.785 1.00 17.75 C +ATOM 3315 O LYS A 434 77.353 33.589 8.607 1.00 19.51 O +ATOM 3316 CB LYS A 434 75.290 34.794 10.809 1.00 17.54 C +ATOM 3317 CG LYS A 434 73.861 35.118 11.113 1.00 17.11 C +ATOM 3318 CD LYS A 434 73.795 36.543 11.652 1.00 16.39 C +ATOM 3319 CE LYS A 434 72.395 36.865 12.104 1.00 18.50 C +ATOM 3320 NZ LYS A 434 72.244 38.257 12.613 1.00 19.15 N +ATOM 3321 N THR A 435 77.932 33.099 10.739 1.00 16.07 N +ATOM 3322 CA THR A 435 79.359 33.038 10.422 1.00 15.34 C +ATOM 3323 C THR A 435 79.710 31.873 9.514 1.00 14.85 C +ATOM 3324 O THR A 435 80.486 32.029 8.589 1.00 13.50 O +ATOM 3325 CB THR A 435 80.223 32.923 11.676 1.00 16.92 C +ATOM 3326 OG1 THR A 435 80.067 34.093 12.488 1.00 17.54 O +ATOM 3327 CG2 THR A 435 81.683 32.752 11.300 1.00 17.10 C +ATOM 3328 N ALA A 436 79.151 30.697 9.785 1.00 15.64 N +ATOM 3329 CA ALA A 436 79.453 29.525 8.965 1.00 17.21 C +ATOM 3330 C ALA A 436 78.930 29.711 7.537 1.00 19.19 C +ATOM 3331 O ALA A 436 79.579 29.282 6.560 1.00 21.33 O +ATOM 3332 CB ALA A 436 78.884 28.252 9.595 1.00 14.96 C +ATOM 3333 N SER A 437 77.790 30.396 7.409 1.00 18.23 N +ATOM 3334 CA SER A 437 77.199 30.632 6.103 1.00 16.37 C +ATOM 3335 C SER A 437 78.067 31.517 5.236 1.00 15.64 C +ATOM 3336 O SER A 437 78.060 31.370 4.027 1.00 17.88 O +ATOM 3337 CB SER A 437 75.819 31.226 6.242 1.00 15.56 C +ATOM 3338 OG SER A 437 75.885 32.350 7.074 1.00 17.54 O +ATOM 3339 N ALA A 438 78.837 32.412 5.833 1.00 13.78 N +ATOM 3340 CA ALA A 438 79.701 33.275 5.046 1.00 12.43 C +ATOM 3341 C ALA A 438 81.080 32.685 4.991 1.00 13.37 C +ATOM 3342 O ALA A 438 82.057 33.431 5.011 1.00 15.05 O +ATOM 3343 CB ALA A 438 79.779 34.645 5.668 1.00 10.40 C +ATOM 3344 N ALA A 439 81.193 31.364 4.923 1.00 13.82 N +ATOM 3345 CA ALA A 439 82.525 30.752 4.905 1.00 14.91 C +ATOM 3346 C ALA A 439 82.958 30.211 3.560 1.00 16.15 C +ATOM 3347 O ALA A 439 82.136 29.942 2.687 1.00 17.00 O +ATOM 3348 CB ALA A 439 82.622 29.649 5.953 1.00 14.03 C +ATOM 3349 N ASP A 440 84.267 30.100 3.378 1.00 17.35 N +ATOM 3350 CA ASP A 440 84.805 29.546 2.144 1.00 17.43 C +ATOM 3351 C ASP A 440 84.772 28.033 2.267 1.00 16.71 C +ATOM 3352 O ASP A 440 84.377 27.323 1.340 1.00 18.37 O +ATOM 3353 CB ASP A 440 86.221 30.039 1.915 1.00 18.54 C +ATOM 3354 CG ASP A 440 86.256 31.492 1.591 1.00 20.06 C +ATOM 3355 OD1 ASP A 440 85.398 31.901 0.796 1.00 23.06 O +ATOM 3356 OD2 ASP A 440 87.101 32.231 2.144 1.00 21.40 O +ATOM 3357 N VAL A 441 85.174 27.537 3.420 1.00 14.12 N +ATOM 3358 CA VAL A 441 85.135 26.112 3.645 1.00 13.29 C +ATOM 3359 C VAL A 441 84.651 25.811 5.077 1.00 11.38 C +ATOM 3360 O VAL A 441 85.145 26.383 6.043 1.00 10.68 O +ATOM 3361 CB VAL A 441 86.498 25.456 3.256 1.00 13.07 C +ATOM 3362 CG1 VAL A 441 87.638 26.306 3.689 1.00 13.87 C +ATOM 3363 CG2 VAL A 441 86.637 24.083 3.851 1.00 15.13 C +ATOM 3364 N ILE A 442 83.584 25.026 5.180 1.00 10.41 N +ATOM 3365 CA ILE A 442 83.007 24.637 6.467 1.00 11.46 C +ATOM 3366 C ILE A 442 83.423 23.220 6.783 1.00 12.28 C +ATOM 3367 O ILE A 442 83.426 22.367 5.891 1.00 13.76 O +ATOM 3368 CB ILE A 442 81.458 24.661 6.439 1.00 11.06 C +ATOM 3369 CG1 ILE A 442 80.932 26.096 6.543 1.00 11.71 C +ATOM 3370 CG2 ILE A 442 80.895 23.846 7.581 1.00 10.92 C +ATOM 3371 CD1 ILE A 442 79.793 26.369 5.630 1.00 11.82 C +ATOM 3372 N LEU A 443 83.721 22.964 8.055 1.00 11.77 N +ATOM 3373 CA LEU A 443 84.136 21.642 8.528 1.00 10.62 C +ATOM 3374 C LEU A 443 83.342 21.387 9.814 1.00 11.94 C +ATOM 3375 O LEU A 443 83.520 22.086 10.810 1.00 11.42 O +ATOM 3376 CB LEU A 443 85.644 21.646 8.822 1.00 9.58 C +ATOM 3377 CG LEU A 443 86.580 22.078 7.682 1.00 8.41 C +ATOM 3378 CD1 LEU A 443 87.941 22.387 8.234 1.00 8.15 C +ATOM 3379 CD2 LEU A 443 86.666 21.016 6.602 1.00 6.06 C +ATOM 3380 N PRO A 444 82.467 20.367 9.818 1.00 13.93 N +ATOM 3381 CA PRO A 444 81.663 20.074 11.012 1.00 14.45 C +ATOM 3382 C PRO A 444 82.365 19.236 12.056 1.00 14.17 C +ATOM 3383 O PRO A 444 83.185 18.385 11.714 1.00 15.25 O +ATOM 3384 CB PRO A 444 80.427 19.382 10.436 1.00 14.00 C +ATOM 3385 CG PRO A 444 80.925 18.736 9.131 1.00 16.02 C +ATOM 3386 CD PRO A 444 82.290 19.327 8.787 1.00 15.30 C +ATOM 3387 N SER A 445 82.010 19.447 13.321 1.00 12.99 N +ATOM 3388 CA SER A 445 82.629 18.720 14.426 1.00 13.17 C +ATOM 3389 C SER A 445 81.629 18.121 15.412 1.00 13.57 C +ATOM 3390 O SER A 445 80.452 18.456 15.405 1.00 14.18 O +ATOM 3391 CB SER A 445 83.545 19.655 15.188 1.00 13.17 C +ATOM 3392 OG SER A 445 82.775 20.568 15.957 1.00 12.89 O +ATOM 3393 N THR A 446 82.097 17.257 16.296 1.00 14.38 N +ATOM 3394 CA THR A 446 81.187 16.659 17.255 1.00 15.32 C +ATOM 3395 C THR A 446 80.795 17.666 18.330 1.00 16.03 C +ATOM 3396 O THR A 446 81.645 18.417 18.825 1.00 18.97 O +ATOM 3397 CB THR A 446 81.791 15.401 17.907 1.00 16.31 C +ATOM 3398 OG1 THR A 446 82.952 15.748 18.681 1.00 14.44 O +ATOM 3399 CG2 THR A 446 82.163 14.369 16.836 1.00 15.43 C +ATOM 3400 N SER A 447 79.503 17.711 18.645 1.00 15.62 N +ATOM 3401 CA SER A 447 78.935 18.596 19.664 1.00 14.79 C +ATOM 3402 C SER A 447 79.189 18.054 21.070 1.00 15.30 C +ATOM 3403 O SER A 447 79.645 16.909 21.244 1.00 14.34 O +ATOM 3404 CB SER A 447 77.431 18.753 19.416 1.00 15.35 C +ATOM 3405 OG SER A 447 76.748 19.371 20.491 1.00 16.63 O +ATOM 3406 N TRP A 448 78.832 18.859 22.064 1.00 15.06 N +ATOM 3407 CA TRP A 448 79.024 18.524 23.471 1.00 15.70 C +ATOM 3408 C TRP A 448 78.665 17.120 23.929 1.00 17.98 C +ATOM 3409 O TRP A 448 79.559 16.391 24.393 1.00 21.92 O +ATOM 3410 CB TRP A 448 78.408 19.615 24.346 1.00 12.95 C +ATOM 3411 CG TRP A 448 77.988 19.295 25.754 1.00 9.27 C +ATOM 3412 CD1 TRP A 448 78.771 19.254 26.872 1.00 7.33 C +ATOM 3413 CD2 TRP A 448 76.639 19.182 26.209 1.00 7.89 C +ATOM 3414 NE1 TRP A 448 77.990 19.143 27.989 1.00 4.47 N +ATOM 3415 CE2 TRP A 448 76.676 19.099 27.608 1.00 6.69 C +ATOM 3416 CE3 TRP A 448 75.394 19.146 25.555 1.00 7.62 C +ATOM 3417 CZ2 TRP A 448 75.511 18.991 28.377 1.00 8.90 C +ATOM 3418 CZ3 TRP A 448 74.249 19.035 26.306 1.00 7.31 C +ATOM 3419 CH2 TRP A 448 74.309 18.956 27.707 1.00 7.26 C +ATOM 3420 N GLY A 449 77.418 16.689 23.771 1.00 16.72 N +ATOM 3421 CA GLY A 449 77.094 15.332 24.212 1.00 15.00 C +ATOM 3422 C GLY A 449 77.686 14.192 23.367 1.00 14.29 C +ATOM 3423 O GLY A 449 77.594 13.020 23.735 1.00 14.84 O +ATOM 3424 N GLU A 450 78.335 14.533 22.257 1.00 12.86 N +ATOM 3425 CA GLU A 450 78.894 13.547 21.343 1.00 10.89 C +ATOM 3426 C GLU A 450 80.407 13.317 21.516 1.00 9.86 C +ATOM 3427 O GLU A 450 81.052 12.660 20.702 1.00 9.50 O +ATOM 3428 CB GLU A 450 78.600 13.987 19.894 1.00 10.81 C +ATOM 3429 CG GLU A 450 77.457 14.987 19.718 1.00 8.51 C +ATOM 3430 CD GLU A 450 76.946 15.071 18.281 1.00 9.72 C +ATOM 3431 OE1 GLU A 450 76.106 14.225 17.931 1.00 13.03 O +ATOM 3432 OE2 GLU A 450 77.334 15.978 17.498 1.00 7.14 O +ATOM 3433 N HIS A 451 80.986 13.867 22.569 1.00 9.26 N +ATOM 3434 CA HIS A 451 82.422 13.727 22.788 1.00 7.00 C +ATOM 3435 C HIS A 451 82.723 14.081 24.255 1.00 7.51 C +ATOM 3436 O HIS A 451 81.795 14.436 24.993 1.00 8.50 O +ATOM 3437 CB HIS A 451 83.188 14.621 21.796 1.00 5.31 C +ATOM 3438 CG HIS A 451 82.986 16.096 22.009 1.00 7.20 C +ATOM 3439 ND1 HIS A 451 82.823 16.989 20.969 1.00 4.31 N +ATOM 3440 CD2 HIS A 451 82.916 16.830 23.149 1.00 7.05 C +ATOM 3441 CE1 HIS A 451 82.654 18.201 21.461 1.00 5.94 C +ATOM 3442 NE2 HIS A 451 82.708 18.134 22.780 1.00 6.00 N +ATOM 3443 N GLU A 452 83.998 14.051 24.656 1.00 6.90 N +ATOM 3444 CA GLU A 452 84.406 14.317 26.040 1.00 6.91 C +ATOM 3445 C GLU A 452 85.681 15.173 26.191 1.00 9.33 C +ATOM 3446 O GLU A 452 86.335 15.576 25.197 1.00 8.75 O +ATOM 3447 CB GLU A 452 84.691 13.002 26.746 1.00 4.68 C +ATOM 3448 CG GLU A 452 85.924 12.365 26.144 1.00 8.54 C +ATOM 3449 CD GLU A 452 86.515 11.219 26.936 1.00 10.75 C +ATOM 3450 OE1 GLU A 452 86.123 10.998 28.115 1.00 13.78 O +ATOM 3451 OE2 GLU A 452 87.388 10.535 26.351 1.00 7.93 O +ATOM 3452 N GLY A 453 86.075 15.347 27.455 1.00 9.29 N +ATOM 3453 CA GLY A 453 87.250 16.111 27.781 1.00 8.79 C +ATOM 3454 C GLY A 453 87.101 16.769 29.140 1.00 10.60 C +ATOM 3455 O GLY A 453 86.368 16.260 30.003 1.00 9.32 O +ATOM 3456 N VAL A 454 87.769 17.920 29.304 1.00 10.68 N +ATOM 3457 CA VAL A 454 87.778 18.704 30.546 1.00 10.54 C +ATOM 3458 C VAL A 454 87.360 20.158 30.222 1.00 11.26 C +ATOM 3459 O VAL A 454 87.567 20.629 29.083 1.00 11.36 O +ATOM 3460 CB VAL A 454 89.234 18.728 31.118 1.00 10.26 C +ATOM 3461 CG1 VAL A 454 89.312 19.415 32.472 1.00 9.74 C +ATOM 3462 CG2 VAL A 454 89.771 17.327 31.220 1.00 10.22 C +ATOM 3463 N PHE A 455 86.747 20.843 31.195 1.00 9.37 N +ATOM 3464 CA PHE A 455 86.336 22.253 31.074 1.00 7.55 C +ATOM 3465 C PHE A 455 86.834 22.912 32.341 1.00 8.37 C +ATOM 3466 O PHE A 455 86.954 22.233 33.367 1.00 9.92 O +ATOM 3467 CB PHE A 455 84.826 22.389 31.121 1.00 7.34 C +ATOM 3468 CG PHE A 455 84.144 22.200 29.802 1.00 7.46 C +ATOM 3469 CD1 PHE A 455 84.873 22.144 28.621 1.00 7.10 C +ATOM 3470 CD2 PHE A 455 82.759 22.087 29.749 1.00 5.30 C +ATOM 3471 CE1 PHE A 455 84.234 21.977 27.416 1.00 5.55 C +ATOM 3472 CE2 PHE A 455 82.126 21.924 28.563 1.00 4.77 C +ATOM 3473 CZ PHE A 455 82.867 21.868 27.385 1.00 7.04 C +ATOM 3474 N THR A 456 87.085 24.218 32.316 1.00 7.73 N +ATOM 3475 CA THR A 456 87.517 24.903 33.543 1.00 7.20 C +ATOM 3476 C THR A 456 86.423 25.870 34.019 1.00 7.14 C +ATOM 3477 O THR A 456 86.033 26.765 33.278 1.00 6.89 O +ATOM 3478 CB THR A 456 88.862 25.641 33.338 1.00 5.60 C +ATOM 3479 OG1 THR A 456 89.831 24.708 32.856 1.00 7.38 O +ATOM 3480 CG2 THR A 456 89.382 26.175 34.631 1.00 3.96 C +ATOM 3481 N ALA A 457 85.891 25.652 35.226 1.00 6.80 N +ATOM 3482 CA ALA A 457 84.841 26.522 35.778 1.00 6.66 C +ATOM 3483 C ALA A 457 85.395 27.938 35.993 1.00 8.33 C +ATOM 3484 O ALA A 457 86.622 28.140 36.001 1.00 7.53 O +ATOM 3485 CB ALA A 457 84.302 25.953 37.097 1.00 3.37 C +ATOM 3486 N ALA A 458 84.497 28.898 36.227 1.00 9.23 N +ATOM 3487 CA ALA A 458 84.873 30.303 36.414 1.00 10.43 C +ATOM 3488 C ALA A 458 86.090 30.536 37.296 1.00 12.10 C +ATOM 3489 O ALA A 458 86.967 31.328 36.940 1.00 13.78 O +ATOM 3490 CB ALA A 458 83.681 31.125 36.926 1.00 9.83 C +ATOM 3491 N ASP A 459 86.158 29.806 38.410 1.00 13.96 N +ATOM 3492 CA ASP A 459 87.232 29.896 39.417 1.00 12.53 C +ATOM 3493 C ASP A 459 88.346 28.915 39.185 1.00 11.87 C +ATOM 3494 O ASP A 459 88.748 28.242 40.111 1.00 13.69 O +ATOM 3495 CB ASP A 459 86.653 29.571 40.794 1.00 14.26 C +ATOM 3496 CG ASP A 459 85.971 28.173 40.839 1.00 16.30 C +ATOM 3497 OD1 ASP A 459 85.861 27.497 39.794 1.00 15.84 O +ATOM 3498 OD2 ASP A 459 85.527 27.744 41.924 1.00 17.93 O +ATOM 3499 N ARG A 460 88.823 28.785 37.960 1.00 12.46 N +ATOM 3500 CA ARG A 460 89.911 27.840 37.627 1.00 12.27 C +ATOM 3501 C ARG A 460 89.769 26.369 38.078 1.00 11.96 C +ATOM 3502 O ARG A 460 90.761 25.630 38.153 1.00 11.53 O +ATOM 3503 CB ARG A 460 91.289 28.422 38.007 1.00 11.67 C +ATOM 3504 CG ARG A 460 91.291 29.177 39.286 1.00 9.49 C +ATOM 3505 CD ARG A 460 92.575 29.861 39.646 1.00 9.72 C +ATOM 3506 NE ARG A 460 92.338 30.453 40.953 1.00 9.79 N +ATOM 3507 CZ ARG A 460 92.198 29.743 42.065 1.00 11.06 C +ATOM 3508 NH1 ARG A 460 92.318 28.426 42.031 1.00 12.10 N +ATOM 3509 NH2 ARG A 460 91.755 30.320 43.170 1.00 12.85 N +ATOM 3510 N GLY A 461 88.525 25.924 38.279 1.00 11.58 N +ATOM 3511 CA GLY A 461 88.272 24.553 38.702 1.00 10.23 C +ATOM 3512 C GLY A 461 88.080 23.524 37.592 1.00 9.24 C +ATOM 3513 O GLY A 461 87.038 23.510 36.933 1.00 8.42 O +ATOM 3514 N PHE A 462 89.086 22.673 37.376 1.00 8.47 N +ATOM 3515 CA PHE A 462 89.029 21.622 36.359 1.00 8.14 C +ATOM 3516 C PHE A 462 87.912 20.618 36.639 1.00 9.04 C +ATOM 3517 O PHE A 462 87.730 20.173 37.779 1.00 10.20 O +ATOM 3518 CB PHE A 462 90.314 20.822 36.338 1.00 8.11 C +ATOM 3519 CG PHE A 462 91.461 21.528 35.750 1.00 10.18 C +ATOM 3520 CD1 PHE A 462 91.330 22.212 34.547 1.00 11.96 C +ATOM 3521 CD2 PHE A 462 92.712 21.476 36.381 1.00 10.34 C +ATOM 3522 CE1 PHE A 462 92.437 22.836 33.964 1.00 12.80 C +ATOM 3523 CE2 PHE A 462 93.811 22.084 35.820 1.00 10.27 C +ATOM 3524 CZ PHE A 462 93.680 22.770 34.606 1.00 12.84 C +ATOM 3525 N GLN A 463 87.218 20.197 35.594 1.00 7.48 N +ATOM 3526 CA GLN A 463 86.161 19.233 35.758 1.00 8.88 C +ATOM 3527 C GLN A 463 86.074 18.454 34.462 1.00 11.12 C +ATOM 3528 O GLN A 463 86.277 19.019 33.368 1.00 11.95 O +ATOM 3529 CB GLN A 463 84.819 19.912 36.050 1.00 8.94 C +ATOM 3530 CG GLN A 463 84.662 20.481 37.430 1.00 8.23 C +ATOM 3531 CD GLN A 463 83.219 20.822 37.713 1.00 11.11 C +ATOM 3532 OE1 GLN A 463 82.711 21.862 37.276 1.00 11.56 O +ATOM 3533 NE2 GLN A 463 82.535 19.943 38.444 1.00 10.35 N +ATOM 3534 N ARG A 464 85.730 17.172 34.598 1.00 10.65 N +ATOM 3535 CA ARG A 464 85.616 16.252 33.488 1.00 9.61 C +ATOM 3536 C ARG A 464 84.190 16.169 32.960 1.00 10.39 C +ATOM 3537 O ARG A 464 83.226 16.294 33.714 1.00 10.76 O +ATOM 3538 CB ARG A 464 86.052 14.853 33.946 1.00 10.48 C +ATOM 3539 CG ARG A 464 87.561 14.591 33.995 1.00 9.52 C +ATOM 3540 CD ARG A 464 87.929 13.410 33.128 1.00 9.12 C +ATOM 3541 NE ARG A 464 87.600 13.667 31.728 1.00 11.36 N +ATOM 3542 CZ ARG A 464 87.240 12.740 30.833 1.00 12.88 C +ATOM 3543 NH1 ARG A 464 87.162 11.454 31.164 1.00 12.27 N +ATOM 3544 NH2 ARG A 464 86.906 13.120 29.605 1.00 13.39 N +ATOM 3545 N PHE A 465 84.071 15.948 31.654 1.00 10.68 N +ATOM 3546 CA PHE A 465 82.785 15.792 30.995 1.00 10.77 C +ATOM 3547 C PHE A 465 82.870 14.543 30.080 1.00 10.51 C +ATOM 3548 O PHE A 465 83.885 14.311 29.427 1.00 11.40 O +ATOM 3549 CB PHE A 465 82.308 17.118 30.333 1.00 9.62 C +ATOM 3550 CG PHE A 465 82.880 17.420 28.955 1.00 10.38 C +ATOM 3551 CD1 PHE A 465 82.185 17.043 27.800 1.00 11.79 C +ATOM 3552 CD2 PHE A 465 84.006 18.213 28.805 1.00 9.73 C +ATOM 3553 CE1 PHE A 465 82.589 17.458 26.522 1.00 10.73 C +ATOM 3554 CE2 PHE A 465 84.419 18.631 27.534 1.00 10.49 C +ATOM 3555 CZ PHE A 465 83.698 18.252 26.390 1.00 11.01 C +ATOM 3556 N PHE A 466 81.823 13.725 30.088 1.00 10.26 N +ATOM 3557 CA PHE A 466 81.807 12.459 29.365 1.00 10.90 C +ATOM 3558 C PHE A 466 80.937 12.330 28.117 1.00 12.38 C +ATOM 3559 O PHE A 466 79.908 12.994 27.993 1.00 15.31 O +ATOM 3560 CB PHE A 466 81.452 11.346 30.365 1.00 9.21 C +ATOM 3561 CG PHE A 466 82.390 11.278 31.564 1.00 8.55 C +ATOM 3562 CD1 PHE A 466 82.145 12.034 32.701 1.00 6.22 C +ATOM 3563 CD2 PHE A 466 83.549 10.492 31.522 1.00 7.86 C +ATOM 3564 CE1 PHE A 466 83.031 12.020 33.778 1.00 9.18 C +ATOM 3565 CE2 PHE A 466 84.447 10.471 32.598 1.00 8.02 C +ATOM 3566 CZ PHE A 466 84.188 11.239 33.727 1.00 7.50 C +ATOM 3567 N LYS A 467 81.347 11.466 27.190 1.00 11.98 N +ATOM 3568 CA LYS A 467 80.569 11.242 25.969 1.00 13.90 C +ATOM 3569 C LYS A 467 79.270 10.470 26.281 1.00 14.74 C +ATOM 3570 O LYS A 467 79.322 9.384 26.873 1.00 16.04 O +ATOM 3571 CB LYS A 467 81.375 10.430 24.943 1.00 13.58 C +ATOM 3572 CG LYS A 467 80.646 10.270 23.599 1.00 12.84 C +ATOM 3573 CD LYS A 467 81.187 9.141 22.734 1.00 11.41 C +ATOM 3574 CE LYS A 467 81.252 9.585 21.288 1.00 10.73 C +ATOM 3575 NZ LYS A 467 81.310 8.479 20.321 1.00 11.12 N +ATOM 3576 N ALA A 468 78.122 10.998 25.856 1.00 13.83 N +ATOM 3577 CA ALA A 468 76.856 10.323 26.115 1.00 13.30 C +ATOM 3578 C ALA A 468 76.299 9.605 24.912 1.00 14.73 C +ATOM 3579 O ALA A 468 75.657 8.554 25.027 1.00 15.83 O +ATOM 3580 CB ALA A 468 75.833 11.315 26.590 1.00 12.21 C +ATOM 3581 N VAL A 469 76.614 10.116 23.736 1.00 16.27 N +ATOM 3582 CA VAL A 469 76.017 9.560 22.551 1.00 17.03 C +ATOM 3583 C VAL A 469 76.962 9.533 21.348 1.00 17.17 C +ATOM 3584 O VAL A 469 78.118 9.879 21.476 1.00 19.32 O +ATOM 3585 CB VAL A 469 74.719 10.371 22.307 1.00 17.13 C +ATOM 3586 CG1 VAL A 469 74.961 11.558 21.388 1.00 17.60 C +ATOM 3587 CG2 VAL A 469 73.600 9.475 21.892 1.00 18.83 C +ATOM 3588 N GLU A 470 76.489 9.069 20.198 1.00 18.07 N +ATOM 3589 CA GLU A 470 77.314 9.000 19.000 1.00 18.26 C +ATOM 3590 C GLU A 470 76.755 9.985 18.016 1.00 18.37 C +ATOM 3591 O GLU A 470 75.557 10.241 18.017 1.00 19.88 O +ATOM 3592 CB GLU A 470 77.224 7.615 18.371 1.00 19.74 C +ATOM 3593 CG GLU A 470 77.680 6.481 19.265 1.00 23.78 C +ATOM 3594 CD GLU A 470 79.165 6.171 19.152 1.00 25.75 C +ATOM 3595 OE1 GLU A 470 79.842 6.692 18.228 1.00 26.27 O +ATOM 3596 OE2 GLU A 470 79.650 5.378 19.992 1.00 27.84 O +ATOM 3597 N PRO A 471 77.614 10.622 17.221 1.00 18.96 N +ATOM 3598 CA PRO A 471 77.079 11.579 16.251 1.00 20.15 C +ATOM 3599 C PRO A 471 76.318 10.816 15.166 1.00 22.37 C +ATOM 3600 O PRO A 471 76.693 9.699 14.831 1.00 23.30 O +ATOM 3601 CB PRO A 471 78.338 12.271 15.722 1.00 18.72 C +ATOM 3602 CG PRO A 471 79.426 11.298 15.978 1.00 17.98 C +ATOM 3603 CD PRO A 471 79.081 10.690 17.290 1.00 18.28 C +ATOM 3604 N LYS A 472 75.202 11.358 14.684 1.00 23.36 N +ATOM 3605 CA LYS A 472 74.450 10.657 13.650 1.00 24.59 C +ATOM 3606 C LYS A 472 75.083 10.852 12.284 1.00 24.79 C +ATOM 3607 O LYS A 472 74.645 10.255 11.296 1.00 26.53 O +ATOM 3608 CB LYS A 472 72.972 11.089 13.614 1.00 26.23 C +ATOM 3609 CG LYS A 472 72.194 10.733 14.882 1.00 30.60 C +ATOM 3610 CD LYS A 472 72.437 9.259 15.306 1.00 34.23 C +ATOM 3611 CE LYS A 472 72.161 8.995 16.810 1.00 33.67 C +ATOM 3612 NZ LYS A 472 73.377 8.493 17.532 1.00 30.46 N +ATOM 3613 N TRP A 473 76.132 11.659 12.224 1.00 23.13 N +ATOM 3614 CA TRP A 473 76.782 11.912 10.951 1.00 21.94 C +ATOM 3615 C TRP A 473 78.268 11.688 11.055 1.00 19.16 C +ATOM 3616 O TRP A 473 78.800 11.509 12.137 1.00 17.33 O +ATOM 3617 CB TRP A 473 76.516 13.341 10.487 1.00 24.16 C +ATOM 3618 CG TRP A 473 75.069 13.732 10.499 1.00 28.47 C +ATOM 3619 CD1 TRP A 473 74.131 13.423 9.561 1.00 29.83 C +ATOM 3620 CD2 TRP A 473 74.410 14.555 11.468 1.00 30.12 C +ATOM 3621 NE1 TRP A 473 72.933 14.012 9.879 1.00 30.94 N +ATOM 3622 CE2 TRP A 473 73.078 14.713 11.045 1.00 31.04 C +ATOM 3623 CE3 TRP A 473 74.819 15.170 12.658 1.00 31.73 C +ATOM 3624 CZ2 TRP A 473 72.148 15.463 11.765 1.00 32.96 C +ATOM 3625 CZ3 TRP A 473 73.897 15.910 13.377 1.00 33.09 C +ATOM 3626 CH2 TRP A 473 72.575 16.051 12.929 1.00 34.11 C +ATOM 3627 N ASP A 474 78.927 11.668 9.908 1.00 17.86 N +ATOM 3628 CA ASP A 474 80.368 11.482 9.858 1.00 17.09 C +ATOM 3629 C ASP A 474 81.052 12.788 10.279 1.00 16.36 C +ATOM 3630 O ASP A 474 81.430 13.618 9.450 1.00 16.74 O +ATOM 3631 CB ASP A 474 80.805 11.035 8.457 1.00 16.05 C +ATOM 3632 CG ASP A 474 82.303 10.921 8.323 1.00 17.61 C +ATOM 3633 OD1 ASP A 474 83.002 10.922 9.371 1.00 18.99 O +ATOM 3634 OD2 ASP A 474 82.786 10.836 7.169 1.00 16.99 O +ATOM 3635 N LEU A 475 81.193 12.966 11.581 1.00 14.54 N +ATOM 3636 CA LEU A 475 81.805 14.161 12.106 1.00 13.57 C +ATOM 3637 C LEU A 475 83.090 13.792 12.831 1.00 12.54 C +ATOM 3638 O LEU A 475 83.276 12.642 13.220 1.00 12.85 O +ATOM 3639 CB LEU A 475 80.842 14.821 13.095 1.00 15.35 C +ATOM 3640 CG LEU A 475 79.399 15.035 12.630 1.00 17.15 C +ATOM 3641 CD1 LEU A 475 78.565 15.617 13.759 1.00 14.87 C +ATOM 3642 CD2 LEU A 475 79.354 15.912 11.370 1.00 16.84 C +ATOM 3643 N LYS A 476 83.987 14.760 12.977 1.00 10.91 N +ATOM 3644 CA LYS A 476 85.232 14.547 13.713 1.00 10.07 C +ATOM 3645 C LYS A 476 85.241 15.416 14.987 1.00 10.62 C +ATOM 3646 O LYS A 476 84.440 16.359 15.134 1.00 10.96 O +ATOM 3647 CB LYS A 476 86.429 14.874 12.835 1.00 6.15 C +ATOM 3648 CG LYS A 476 86.674 13.833 11.775 1.00 4.07 C +ATOM 3649 CD LYS A 476 86.958 14.448 10.428 1.00 2.00 C +ATOM 3650 CE LYS A 476 87.701 13.487 9.525 1.00 2.00 C +ATOM 3651 NZ LYS A 476 87.141 12.093 9.558 1.00 5.55 N +ATOM 3652 N THR A 477 86.046 15.051 15.969 1.00 9.51 N +ATOM 3653 CA THR A 477 86.081 15.895 17.146 1.00 9.85 C +ATOM 3654 C THR A 477 86.950 17.016 16.636 1.00 12.44 C +ATOM 3655 O THR A 477 87.729 16.790 15.698 1.00 15.20 O +ATOM 3656 CB THR A 477 86.744 15.210 18.309 1.00 6.79 C +ATOM 3657 OG1 THR A 477 87.938 14.582 17.851 1.00 8.31 O +ATOM 3658 CG2 THR A 477 85.835 14.177 18.874 1.00 4.60 C +ATOM 3659 N ASP A 478 86.789 18.226 17.169 1.00 12.92 N +ATOM 3660 CA ASP A 478 87.603 19.349 16.712 1.00 10.88 C +ATOM 3661 C ASP A 478 89.075 19.001 16.680 1.00 11.44 C +ATOM 3662 O ASP A 478 89.756 19.308 15.698 1.00 12.64 O +ATOM 3663 CB ASP A 478 87.361 20.593 17.551 1.00 10.89 C +ATOM 3664 CG ASP A 478 86.054 21.274 17.201 1.00 10.30 C +ATOM 3665 OD1 ASP A 478 85.957 21.982 16.182 1.00 9.35 O +ATOM 3666 OD2 ASP A 478 85.095 21.074 17.938 1.00 12.13 O +ATOM 3667 N TRP A 479 89.571 18.294 17.689 1.00 10.39 N +ATOM 3668 CA TRP A 479 90.979 17.950 17.640 1.00 10.69 C +ATOM 3669 C TRP A 479 91.356 16.948 16.547 1.00 10.59 C +ATOM 3670 O TRP A 479 92.482 16.960 16.070 1.00 11.34 O +ATOM 3671 CB TRP A 479 91.522 17.550 19.006 1.00 10.52 C +ATOM 3672 CG TRP A 479 90.795 16.484 19.678 1.00 11.63 C +ATOM 3673 CD1 TRP A 479 89.897 16.630 20.693 1.00 12.97 C +ATOM 3674 CD2 TRP A 479 90.924 15.075 19.447 1.00 12.63 C +ATOM 3675 NE1 TRP A 479 89.458 15.394 21.117 1.00 14.98 N +ATOM 3676 CE2 TRP A 479 90.069 14.421 20.364 1.00 14.46 C +ATOM 3677 CE3 TRP A 479 91.673 14.301 18.554 1.00 12.69 C +ATOM 3678 CZ2 TRP A 479 89.937 13.027 20.406 1.00 12.55 C +ATOM 3679 CZ3 TRP A 479 91.537 12.917 18.598 1.00 14.04 C +ATOM 3680 CH2 TRP A 479 90.672 12.298 19.518 1.00 13.84 C +ATOM 3681 N GLN A 480 90.429 16.096 16.128 1.00 10.97 N +ATOM 3682 CA GLN A 480 90.730 15.144 15.057 1.00 11.29 C +ATOM 3683 C GLN A 480 90.847 15.861 13.724 1.00 11.04 C +ATOM 3684 O GLN A 480 91.677 15.505 12.896 1.00 13.74 O +ATOM 3685 CB GLN A 480 89.662 14.063 14.953 1.00 12.59 C +ATOM 3686 CG GLN A 480 89.934 12.895 15.863 1.00 15.48 C +ATOM 3687 CD GLN A 480 88.718 12.059 16.135 1.00 16.33 C +ATOM 3688 OE1 GLN A 480 87.590 12.537 16.047 1.00 18.80 O +ATOM 3689 NE2 GLN A 480 88.934 10.807 16.487 1.00 18.89 N +ATOM 3690 N ILE A 481 90.053 16.898 13.522 1.00 9.54 N +ATOM 3691 CA ILE A 481 90.122 17.621 12.270 1.00 9.27 C +ATOM 3692 C ILE A 481 91.446 18.348 12.181 1.00 9.88 C +ATOM 3693 O ILE A 481 92.189 18.135 11.250 1.00 12.20 O +ATOM 3694 CB ILE A 481 88.982 18.617 12.121 1.00 9.49 C +ATOM 3695 CG1 ILE A 481 87.626 17.907 12.289 1.00 7.35 C +ATOM 3696 CG2 ILE A 481 89.100 19.281 10.770 1.00 10.60 C +ATOM 3697 CD1 ILE A 481 86.426 18.762 12.030 1.00 3.24 C +ATOM 3698 N ILE A 482 91.762 19.172 13.175 1.00 10.65 N +ATOM 3699 CA ILE A 482 93.033 19.911 13.218 1.00 10.56 C +ATOM 3700 C ILE A 482 94.215 18.947 13.131 1.00 11.38 C +ATOM 3701 O ILE A 482 95.217 19.258 12.493 1.00 12.13 O +ATOM 3702 CB ILE A 482 93.199 20.706 14.537 1.00 10.07 C +ATOM 3703 CG1 ILE A 482 92.141 21.815 14.638 1.00 11.35 C +ATOM 3704 CG2 ILE A 482 94.578 21.305 14.607 1.00 9.64 C +ATOM 3705 CD1 ILE A 482 91.799 22.241 16.089 1.00 11.06 C +ATOM 3706 N SER A 483 94.130 17.797 13.797 1.00 12.16 N +ATOM 3707 CA SER A 483 95.221 16.830 13.739 1.00 13.32 C +ATOM 3708 C SER A 483 95.454 16.354 12.300 1.00 13.51 C +ATOM 3709 O SER A 483 96.594 16.282 11.828 1.00 13.47 O +ATOM 3710 CB SER A 483 94.954 15.632 14.659 1.00 14.20 C +ATOM 3711 OG SER A 483 95.109 15.954 16.032 1.00 15.27 O +ATOM 3712 N GLU A 484 94.373 16.113 11.571 1.00 13.23 N +ATOM 3713 CA GLU A 484 94.510 15.635 10.206 1.00 13.48 C +ATOM 3714 C GLU A 484 95.081 16.668 9.244 1.00 11.78 C +ATOM 3715 O GLU A 484 95.792 16.324 8.310 1.00 11.06 O +ATOM 3716 CB GLU A 484 93.182 15.104 9.701 1.00 15.05 C +ATOM 3717 CG GLU A 484 93.312 14.307 8.421 1.00 18.88 C +ATOM 3718 CD GLU A 484 92.091 13.450 8.153 1.00 20.97 C +ATOM 3719 OE1 GLU A 484 91.416 13.062 9.138 1.00 23.05 O +ATOM 3720 OE2 GLU A 484 91.813 13.161 6.966 1.00 22.07 O +ATOM 3721 N ILE A 485 94.751 17.932 9.459 1.00 11.94 N +ATOM 3722 CA ILE A 485 95.260 19.015 8.613 1.00 11.44 C +ATOM 3723 C ILE A 485 96.753 19.227 8.895 1.00 11.10 C +ATOM 3724 O ILE A 485 97.545 19.420 7.965 1.00 10.59 O +ATOM 3725 CB ILE A 485 94.488 20.316 8.831 1.00 9.38 C +ATOM 3726 CG1 ILE A 485 92.997 20.085 8.569 1.00 11.38 C +ATOM 3727 CG2 ILE A 485 94.971 21.332 7.875 1.00 9.57 C +ATOM 3728 CD1 ILE A 485 92.115 21.340 8.689 1.00 11.28 C +ATOM 3729 N ALA A 486 97.120 19.126 10.174 1.00 10.44 N +ATOM 3730 CA ALA A 486 98.493 19.247 10.625 1.00 10.11 C +ATOM 3731 C ALA A 486 99.281 18.170 9.889 1.00 11.09 C +ATOM 3732 O ALA A 486 100.274 18.449 9.207 1.00 13.00 O +ATOM 3733 CB ALA A 486 98.558 19.004 12.109 1.00 9.86 C +ATOM 3734 N THR A 487 98.798 16.939 9.978 1.00 10.98 N +ATOM 3735 CA THR A 487 99.435 15.825 9.306 1.00 10.29 C +ATOM 3736 C THR A 487 99.541 16.071 7.802 1.00 10.65 C +ATOM 3737 O THR A 487 100.594 15.868 7.214 1.00 12.01 O +ATOM 3738 CB THR A 487 98.657 14.517 9.546 1.00 10.13 C +ATOM 3739 OG1 THR A 487 98.457 14.321 10.956 1.00 10.69 O +ATOM 3740 CG2 THR A 487 99.436 13.331 8.982 1.00 10.10 C +ATOM 3741 N ARG A 488 98.463 16.529 7.173 1.00 11.54 N +ATOM 3742 CA ARG A 488 98.491 16.769 5.733 1.00 13.01 C +ATOM 3743 C ARG A 488 99.466 17.872 5.344 1.00 14.43 C +ATOM 3744 O ARG A 488 99.950 17.942 4.203 1.00 15.25 O +ATOM 3745 CB ARG A 488 97.090 17.041 5.200 1.00 11.21 C +ATOM 3746 CG ARG A 488 96.196 15.818 5.316 1.00 11.54 C +ATOM 3747 CD ARG A 488 94.815 16.089 4.779 1.00 12.15 C +ATOM 3748 NE ARG A 488 93.970 14.913 4.874 1.00 11.42 N +ATOM 3749 CZ ARG A 488 93.434 14.303 3.825 1.00 12.18 C +ATOM 3750 NH1 ARG A 488 93.646 14.747 2.591 1.00 9.83 N +ATOM 3751 NH2 ARG A 488 92.679 13.240 4.016 1.00 13.82 N +ATOM 3752 N MET A 489 99.786 18.706 6.322 1.00 14.64 N +ATOM 3753 CA MET A 489 100.716 19.783 6.121 1.00 13.02 C +ATOM 3754 C MET A 489 102.121 19.333 6.472 1.00 12.30 C +ATOM 3755 O MET A 489 103.004 20.153 6.626 1.00 13.73 O +ATOM 3756 CB MET A 489 100.301 20.968 6.968 1.00 15.69 C +ATOM 3757 CG MET A 489 98.977 21.612 6.523 1.00 17.43 C +ATOM 3758 SD MET A 489 98.891 23.314 7.088 1.00 18.39 S +ATOM 3759 CE MET A 489 97.442 23.260 8.017 1.00 17.31 C +ATOM 3760 N GLY A 490 102.320 18.032 6.642 1.00 11.30 N +ATOM 3761 CA GLY A 490 103.635 17.524 6.940 1.00 10.34 C +ATOM 3762 C GLY A 490 104.008 17.303 8.384 1.00 12.57 C +ATOM 3763 O GLY A 490 105.006 16.625 8.653 1.00 13.92 O +ATOM 3764 N TYR A 491 103.265 17.873 9.329 1.00 13.66 N +ATOM 3765 CA TYR A 491 103.597 17.681 10.750 1.00 13.53 C +ATOM 3766 C TYR A 491 102.717 16.547 11.279 1.00 15.18 C +ATOM 3767 O TYR A 491 101.498 16.678 11.370 1.00 16.62 O +ATOM 3768 CB TYR A 491 103.365 18.974 11.528 1.00 10.60 C +ATOM 3769 CG TYR A 491 103.695 18.865 13.000 1.00 10.96 C +ATOM 3770 CD1 TYR A 491 102.777 18.327 13.907 1.00 10.43 C +ATOM 3771 CD2 TYR A 491 104.926 19.283 13.491 1.00 10.76 C +ATOM 3772 CE1 TYR A 491 103.073 18.204 15.232 1.00 8.66 C +ATOM 3773 CE2 TYR A 491 105.234 19.160 14.839 1.00 10.10 C +ATOM 3774 CZ TYR A 491 104.301 18.614 15.694 1.00 9.22 C +ATOM 3775 OH TYR A 491 104.618 18.427 17.009 1.00 11.64 O +ATOM 3776 N PRO A 492 103.318 15.414 11.634 1.00 16.32 N +ATOM 3777 CA PRO A 492 102.524 14.281 12.137 1.00 17.12 C +ATOM 3778 C PRO A 492 101.766 14.520 13.433 1.00 16.71 C +ATOM 3779 O PRO A 492 102.366 14.910 14.421 1.00 18.58 O +ATOM 3780 CB PRO A 492 103.573 13.185 12.308 1.00 17.33 C +ATOM 3781 CG PRO A 492 104.815 13.971 12.644 1.00 16.42 C +ATOM 3782 CD PRO A 492 104.758 15.108 11.652 1.00 16.16 C +ATOM 3783 N MET A 493 100.462 14.252 13.440 1.00 16.29 N +ATOM 3784 CA MET A 493 99.657 14.419 14.648 1.00 16.68 C +ATOM 3785 C MET A 493 98.380 13.587 14.618 1.00 15.84 C +ATOM 3786 O MET A 493 97.627 13.617 13.652 1.00 16.58 O +ATOM 3787 CB MET A 493 99.309 15.900 14.864 1.00 19.74 C +ATOM 3788 CG MET A 493 98.619 16.270 16.202 1.00 20.98 C +ATOM 3789 SD MET A 493 98.754 18.105 16.584 1.00 24.84 S +ATOM 3790 CE MET A 493 97.544 18.811 15.493 1.00 21.96 C +ATOM 3791 N HIS A 494 98.182 12.788 15.655 1.00 13.73 N +ATOM 3792 CA HIS A 494 96.982 11.983 15.787 1.00 13.47 C +ATOM 3793 C HIS A 494 96.855 11.556 17.260 1.00 12.83 C +ATOM 3794 O HIS A 494 97.821 11.130 17.877 1.00 14.57 O +ATOM 3795 CB HIS A 494 97.006 10.779 14.849 1.00 14.26 C +ATOM 3796 CG HIS A 494 97.211 9.472 15.548 1.00 17.29 C +ATOM 3797 ND1 HIS A 494 98.463 8.978 15.855 1.00 16.01 N +ATOM 3798 CD2 HIS A 494 96.319 8.571 16.025 1.00 17.43 C +ATOM 3799 CE1 HIS A 494 98.331 7.827 16.491 1.00 18.51 C +ATOM 3800 NE2 HIS A 494 97.040 7.558 16.608 1.00 19.52 N +ATOM 3801 N TYR A 495 95.676 11.728 17.834 1.00 11.62 N +ATOM 3802 CA TYR A 495 95.432 11.378 19.215 1.00 9.77 C +ATOM 3803 C TYR A 495 94.314 10.355 19.268 1.00 10.36 C +ATOM 3804 O TYR A 495 93.265 10.476 18.612 1.00 10.33 O +ATOM 3805 CB TYR A 495 95.050 12.623 20.003 1.00 10.09 C +ATOM 3806 CG TYR A 495 96.161 13.655 20.116 1.00 9.80 C +ATOM 3807 CD1 TYR A 495 97.158 13.504 21.077 1.00 10.75 C +ATOM 3808 CD2 TYR A 495 96.225 14.769 19.270 1.00 6.22 C +ATOM 3809 CE1 TYR A 495 98.188 14.422 21.198 1.00 9.25 C +ATOM 3810 CE2 TYR A 495 97.268 15.689 19.385 1.00 6.39 C +ATOM 3811 CZ TYR A 495 98.247 15.499 20.355 1.00 6.91 C +ATOM 3812 OH TYR A 495 99.344 16.314 20.495 1.00 7.37 O +ATOM 3813 N ASN A 496 94.602 9.279 19.967 1.00 9.54 N +ATOM 3814 CA ASN A 496 93.653 8.204 20.118 1.00 9.63 C +ATOM 3815 C ASN A 496 92.464 8.649 20.950 1.00 10.59 C +ATOM 3816 O ASN A 496 91.365 8.129 20.798 1.00 11.68 O +ATOM 3817 CB ASN A 496 94.355 6.977 20.702 1.00 7.09 C +ATOM 3818 CG ASN A 496 95.526 6.532 19.838 1.00 7.45 C +ATOM 3819 OD1 ASN A 496 95.427 6.450 18.599 1.00 7.19 O +ATOM 3820 ND2 ASN A 496 96.663 6.334 20.466 1.00 5.59 N +ATOM 3821 N ASN A 497 92.666 9.651 21.793 1.00 12.00 N +ATOM 3822 CA ASN A 497 91.593 10.162 22.626 1.00 12.87 C +ATOM 3823 C ASN A 497 92.012 11.424 23.357 1.00 13.97 C +ATOM 3824 O ASN A 497 93.172 11.840 23.275 1.00 16.18 O +ATOM 3825 CB ASN A 497 91.085 9.079 23.567 1.00 13.04 C +ATOM 3826 CG ASN A 497 92.191 8.281 24.192 1.00 15.88 C +ATOM 3827 OD1 ASN A 497 93.039 7.697 23.511 1.00 18.21 O +ATOM 3828 ND2 ASN A 497 92.191 8.237 25.504 1.00 19.97 N +ATOM 3829 N THR A 498 91.086 12.049 24.068 1.00 14.48 N +ATOM 3830 CA THR A 498 91.407 13.295 24.750 1.00 15.27 C +ATOM 3831 C THR A 498 92.410 13.240 25.904 1.00 16.33 C +ATOM 3832 O THR A 498 93.225 14.154 26.050 1.00 18.47 O +ATOM 3833 CB THR A 498 90.142 14.061 25.176 1.00 14.96 C +ATOM 3834 OG1 THR A 498 89.467 13.353 26.216 1.00 13.98 O +ATOM 3835 CG2 THR A 498 89.209 14.248 23.977 1.00 14.08 C +ATOM 3836 N GLN A 499 92.384 12.182 26.716 1.00 15.96 N +ATOM 3837 CA GLN A 499 93.333 12.088 27.832 1.00 12.63 C +ATOM 3838 C GLN A 499 94.790 12.093 27.363 1.00 11.32 C +ATOM 3839 O GLN A 499 95.694 12.523 28.086 1.00 11.53 O +ATOM 3840 CB GLN A 499 93.076 10.841 28.662 1.00 11.62 C +ATOM 3841 CG GLN A 499 93.899 10.869 29.906 1.00 12.53 C +ATOM 3842 CD GLN A 499 93.882 9.587 30.688 1.00 13.06 C +ATOM 3843 OE1 GLN A 499 92.968 8.772 30.573 1.00 12.75 O +ATOM 3844 NE2 GLN A 499 94.892 9.414 31.522 1.00 11.99 N +ATOM 3845 N GLU A 500 95.010 11.575 26.163 1.00 9.88 N +ATOM 3846 CA GLU A 500 96.329 11.525 25.578 1.00 9.61 C +ATOM 3847 C GLU A 500 96.812 12.954 25.454 1.00 10.62 C +ATOM 3848 O GLU A 500 97.972 13.261 25.723 1.00 11.81 O +ATOM 3849 CB GLU A 500 96.260 10.866 24.206 1.00 9.14 C +ATOM 3850 CG GLU A 500 96.962 9.529 24.173 1.00 11.97 C +ATOM 3851 CD GLU A 500 96.499 8.613 23.044 1.00 14.21 C +ATOM 3852 OE1 GLU A 500 96.144 9.137 21.980 1.00 13.34 O +ATOM 3853 OE2 GLU A 500 96.484 7.365 23.233 1.00 17.53 O +ATOM 3854 N ILE A 501 95.895 13.842 25.080 1.00 11.32 N +ATOM 3855 CA ILE A 501 96.216 15.254 24.935 1.00 7.76 C +ATOM 3856 C ILE A 501 96.388 15.808 26.319 1.00 5.78 C +ATOM 3857 O ILE A 501 97.363 16.466 26.599 1.00 5.60 O +ATOM 3858 CB ILE A 501 95.099 16.016 24.259 1.00 8.09 C +ATOM 3859 CG1 ILE A 501 94.745 15.368 22.915 1.00 7.98 C +ATOM 3860 CG2 ILE A 501 95.534 17.451 24.035 1.00 11.03 C +ATOM 3861 CD1 ILE A 501 93.554 15.996 22.232 1.00 6.74 C +ATOM 3862 N TRP A 502 95.492 15.458 27.222 1.00 5.54 N +ATOM 3863 CA TRP A 502 95.605 15.965 28.577 1.00 8.20 C +ATOM 3864 C TRP A 502 96.911 15.599 29.289 1.00 11.12 C +ATOM 3865 O TRP A 502 97.395 16.368 30.120 1.00 12.86 O +ATOM 3866 CB TRP A 502 94.397 15.564 29.415 1.00 6.03 C +ATOM 3867 CG TRP A 502 94.328 16.269 30.748 1.00 3.75 C +ATOM 3868 CD1 TRP A 502 94.624 15.739 31.970 1.00 3.09 C +ATOM 3869 CD2 TRP A 502 93.931 17.623 30.984 1.00 2.00 C +ATOM 3870 NE1 TRP A 502 94.432 16.676 32.946 1.00 2.41 N +ATOM 3871 CE2 TRP A 502 94.012 17.842 32.370 1.00 2.00 C +ATOM 3872 CE3 TRP A 502 93.525 18.670 30.155 1.00 2.00 C +ATOM 3873 CZ2 TRP A 502 93.710 19.074 32.952 1.00 2.00 C +ATOM 3874 CZ3 TRP A 502 93.222 19.898 30.728 1.00 2.96 C +ATOM 3875 CH2 TRP A 502 93.318 20.087 32.120 1.00 4.03 C +ATOM 3876 N ASP A 503 97.525 14.476 28.934 1.00 14.06 N +ATOM 3877 CA ASP A 503 98.775 14.083 29.590 1.00 16.16 C +ATOM 3878 C ASP A 503 100.015 14.777 29.028 1.00 15.78 C +ATOM 3879 O ASP A 503 100.968 15.070 29.756 1.00 14.98 O +ATOM 3880 CB ASP A 503 98.936 12.560 29.574 1.00 18.51 C +ATOM 3881 CG ASP A 503 97.821 11.848 30.337 1.00 19.74 C +ATOM 3882 OD1 ASP A 503 97.354 12.396 31.353 1.00 19.72 O +ATOM 3883 OD2 ASP A 503 97.423 10.734 29.927 1.00 22.34 O +ATOM 3884 N GLU A 504 100.002 15.028 27.729 1.00 15.86 N +ATOM 3885 CA GLU A 504 101.106 15.709 27.047 1.00 16.34 C +ATOM 3886 C GLU A 504 101.133 17.086 27.685 1.00 17.94 C +ATOM 3887 O GLU A 504 102.160 17.577 28.148 1.00 20.81 O +ATOM 3888 CB GLU A 504 100.735 15.838 25.577 1.00 13.34 C +ATOM 3889 CG GLU A 504 101.800 16.277 24.657 1.00 12.15 C +ATOM 3890 CD GLU A 504 101.292 16.235 23.228 1.00 13.49 C +ATOM 3891 OE1 GLU A 504 100.769 15.166 22.842 1.00 15.76 O +ATOM 3892 OE2 GLU A 504 101.375 17.252 22.503 1.00 10.76 O +ATOM 3893 N LEU A 505 99.934 17.642 27.744 1.00 17.86 N +ATOM 3894 CA LEU A 505 99.597 18.926 28.304 1.00 16.33 C +ATOM 3895 C LEU A 505 100.125 18.933 29.733 1.00 16.79 C +ATOM 3896 O LEU A 505 100.996 19.731 30.082 1.00 17.92 O +ATOM 3897 CB LEU A 505 98.059 18.989 28.280 1.00 16.76 C +ATOM 3898 CG LEU A 505 97.084 20.052 28.759 1.00 15.56 C +ATOM 3899 CD1 LEU A 505 97.238 20.308 30.266 1.00 15.78 C +ATOM 3900 CD2 LEU A 505 97.278 21.290 27.939 1.00 16.34 C +ATOM 3901 N ARG A 506 99.646 18.002 30.551 1.00 15.52 N +ATOM 3902 CA ARG A 506 100.071 17.950 31.949 1.00 14.21 C +ATOM 3903 C ARG A 506 101.580 17.944 32.138 1.00 13.79 C +ATOM 3904 O ARG A 506 102.071 18.423 33.158 1.00 14.73 O +ATOM 3905 CB ARG A 506 99.477 16.735 32.665 1.00 12.84 C +ATOM 3906 CG ARG A 506 98.069 16.944 33.185 1.00 12.39 C +ATOM 3907 CD ARG A 506 97.735 15.899 34.232 1.00 11.29 C +ATOM 3908 NE ARG A 506 98.015 14.577 33.708 1.00 10.58 N +ATOM 3909 CZ ARG A 506 98.974 13.766 34.137 1.00 9.18 C +ATOM 3910 NH1 ARG A 506 99.770 14.101 35.149 1.00 7.07 N +ATOM 3911 NH2 ARG A 506 99.242 12.684 33.419 1.00 8.12 N +ATOM 3912 N HIS A 507 102.301 17.370 31.169 1.00 12.49 N +ATOM 3913 CA HIS A 507 103.756 17.264 31.211 1.00 9.71 C +ATOM 3914 C HIS A 507 104.500 18.531 30.749 1.00 10.82 C +ATOM 3915 O HIS A 507 105.725 18.630 30.905 1.00 10.12 O +ATOM 3916 CB HIS A 507 104.207 16.037 30.414 1.00 8.51 C +ATOM 3917 CG HIS A 507 104.069 14.758 31.170 1.00 8.40 C +ATOM 3918 ND1 HIS A 507 103.001 13.903 31.000 1.00 10.07 N +ATOM 3919 CD2 HIS A 507 104.803 14.231 32.178 1.00 8.56 C +ATOM 3920 CE1 HIS A 507 103.077 12.919 31.872 1.00 7.18 C +ATOM 3921 NE2 HIS A 507 104.163 13.094 32.602 1.00 5.67 N +ATOM 3922 N LEU A 508 103.748 19.494 30.212 1.00 10.60 N +ATOM 3923 CA LEU A 508 104.273 20.775 29.744 1.00 10.47 C +ATOM 3924 C LEU A 508 103.796 21.907 30.653 1.00 11.43 C +ATOM 3925 O LEU A 508 104.373 22.984 30.664 1.00 13.67 O +ATOM 3926 CB LEU A 508 103.804 21.054 28.315 1.00 11.24 C +ATOM 3927 CG LEU A 508 104.216 19.998 27.293 1.00 12.46 C +ATOM 3928 CD1 LEU A 508 103.616 20.305 25.944 1.00 11.76 C +ATOM 3929 CD2 LEU A 508 105.736 19.971 27.215 1.00 15.36 C +ATOM 3930 N CYS A 509 102.740 21.678 31.418 1.00 10.84 N +ATOM 3931 CA CYS A 509 102.239 22.706 32.314 1.00 10.58 C +ATOM 3932 C CYS A 509 102.374 22.293 33.776 1.00 12.31 C +ATOM 3933 O CYS A 509 101.485 21.650 34.344 1.00 13.99 O +ATOM 3934 CB CYS A 509 100.807 22.954 31.955 1.00 9.34 C +ATOM 3935 SG CYS A 509 100.712 23.188 30.203 1.00 13.53 S +ATOM 3936 N PRO A 510 103.504 22.631 34.415 1.00 13.57 N +ATOM 3937 CA PRO A 510 103.748 22.277 35.824 1.00 14.65 C +ATOM 3938 C PRO A 510 102.662 22.571 36.849 1.00 15.00 C +ATOM 3939 O PRO A 510 102.731 22.069 37.956 1.00 16.31 O +ATOM 3940 CB PRO A 510 105.055 22.999 36.136 1.00 12.06 C +ATOM 3941 CG PRO A 510 105.792 22.802 34.881 1.00 13.64 C +ATOM 3942 CD PRO A 510 104.744 23.134 33.800 1.00 13.42 C +ATOM 3943 N ASP A 511 101.676 23.377 36.477 1.00 16.25 N +ATOM 3944 CA ASP A 511 100.565 23.737 37.358 1.00 17.76 C +ATOM 3945 C ASP A 511 99.303 22.909 37.135 1.00 17.10 C +ATOM 3946 O ASP A 511 98.314 23.096 37.845 1.00 17.17 O +ATOM 3947 CB ASP A 511 100.183 25.198 37.128 1.00 20.79 C +ATOM 3948 CG ASP A 511 100.773 26.150 38.153 1.00 24.22 C +ATOM 3949 OD1 ASP A 511 101.527 25.744 39.080 1.00 25.84 O +ATOM 3950 OD2 ASP A 511 100.445 27.345 38.017 1.00 27.38 O +ATOM 3951 N PHE A 512 99.301 22.092 36.086 1.00 15.81 N +ATOM 3952 CA PHE A 512 98.158 21.259 35.736 1.00 14.24 C +ATOM 3953 C PHE A 512 98.527 19.801 35.880 1.00 15.32 C +ATOM 3954 O PHE A 512 97.669 18.922 35.777 1.00 15.35 O +ATOM 3955 CB PHE A 512 97.747 21.484 34.286 1.00 11.35 C +ATOM 3956 CG PHE A 512 97.399 22.910 33.956 1.00 11.81 C +ATOM 3957 CD1 PHE A 512 97.228 23.864 34.955 1.00 8.77 C +ATOM 3958 CD2 PHE A 512 97.264 23.306 32.624 1.00 10.94 C +ATOM 3959 CE1 PHE A 512 96.930 25.177 34.630 1.00 8.38 C +ATOM 3960 CE2 PHE A 512 96.968 24.615 32.304 1.00 9.89 C +ATOM 3961 CZ PHE A 512 96.805 25.554 33.312 1.00 8.82 C +ATOM 3962 N TYR A 513 99.811 19.546 36.119 1.00 15.99 N +ATOM 3963 CA TYR A 513 100.321 18.183 36.255 1.00 14.66 C +ATOM 3964 C TYR A 513 99.544 17.288 37.214 1.00 15.18 C +ATOM 3965 O TYR A 513 99.169 16.173 36.860 1.00 15.74 O +ATOM 3966 CB TYR A 513 101.779 18.233 36.648 1.00 13.18 C +ATOM 3967 CG TYR A 513 102.434 16.894 36.695 1.00 12.10 C +ATOM 3968 CD1 TYR A 513 102.697 16.182 35.535 1.00 9.16 C +ATOM 3969 CD2 TYR A 513 102.783 16.326 37.919 1.00 11.89 C +ATOM 3970 CE1 TYR A 513 103.281 14.938 35.604 1.00 9.79 C +ATOM 3971 CE2 TYR A 513 103.366 15.102 37.992 1.00 8.95 C +ATOM 3972 CZ TYR A 513 103.612 14.403 36.846 1.00 9.18 C +ATOM 3973 OH TYR A 513 104.170 13.147 36.968 1.00 10.57 O +ATOM 3974 N GLY A 514 99.262 17.786 38.411 1.00 15.88 N +ATOM 3975 CA GLY A 514 98.527 16.987 39.375 1.00 16.02 C +ATOM 3976 C GLY A 514 97.046 16.810 39.094 1.00 16.54 C +ATOM 3977 O GLY A 514 96.382 16.012 39.752 1.00 17.25 O +ATOM 3978 N ALA A 515 96.505 17.554 38.137 1.00 16.56 N +ATOM 3979 CA ALA A 515 95.090 17.423 37.826 1.00 15.26 C +ATOM 3980 C ALA A 515 94.917 16.273 36.869 1.00 16.07 C +ATOM 3981 O ALA A 515 94.623 16.481 35.689 1.00 16.92 O +ATOM 3982 CB ALA A 515 94.568 18.689 37.206 1.00 15.44 C +ATOM 3983 N THR A 516 95.144 15.057 37.346 1.00 15.48 N +ATOM 3984 CA THR A 516 94.985 13.906 36.471 1.00 16.44 C +ATOM 3985 C THR A 516 93.504 13.605 36.219 1.00 17.24 C +ATOM 3986 O THR A 516 92.623 14.068 36.963 1.00 18.90 O +ATOM 3987 CB THR A 516 95.709 12.650 37.017 1.00 15.67 C +ATOM 3988 OG1 THR A 516 95.297 12.382 38.362 1.00 16.43 O +ATOM 3989 CG2 THR A 516 97.201 12.849 36.982 1.00 15.57 C +ATOM 3990 N TYR A 517 93.236 12.890 35.126 1.00 17.02 N +ATOM 3991 CA TYR A 517 91.882 12.495 34.748 1.00 16.34 C +ATOM 3992 C TYR A 517 91.282 11.708 35.923 1.00 18.59 C +ATOM 3993 O TYR A 517 90.141 11.947 36.354 1.00 18.39 O +ATOM 3994 CB TYR A 517 91.947 11.584 33.523 1.00 15.22 C +ATOM 3995 CG TYR A 517 91.558 12.232 32.231 1.00 13.63 C +ATOM 3996 CD1 TYR A 517 91.910 13.555 31.955 1.00 13.59 C +ATOM 3997 CD2 TYR A 517 90.775 11.550 31.303 1.00 12.26 C +ATOM 3998 CE1 TYR A 517 91.482 14.189 30.786 1.00 13.96 C +ATOM 3999 CE2 TYR A 517 90.336 12.175 30.133 1.00 13.41 C +ATOM 4000 CZ TYR A 517 90.695 13.498 29.883 1.00 13.90 C +ATOM 4001 OH TYR A 517 90.272 14.116 28.731 1.00 14.01 O +ATOM 4002 N GLU A 518 92.087 10.798 36.467 1.00 18.96 N +ATOM 4003 CA GLU A 518 91.657 9.975 37.578 1.00 19.55 C +ATOM 4004 C GLU A 518 91.217 10.858 38.720 1.00 17.55 C +ATOM 4005 O GLU A 518 90.173 10.628 39.318 1.00 16.68 O +ATOM 4006 CB GLU A 518 92.793 9.074 38.042 1.00 23.49 C +ATOM 4007 CG GLU A 518 92.360 8.031 39.071 1.00 31.08 C +ATOM 4008 CD GLU A 518 93.415 6.947 39.302 1.00 34.47 C +ATOM 4009 OE1 GLU A 518 93.857 6.322 38.303 1.00 35.85 O +ATOM 4010 OE2 GLU A 518 93.801 6.731 40.482 1.00 36.66 O +ATOM 4011 N LYS A 519 91.991 11.908 38.975 1.00 16.09 N +ATOM 4012 CA LYS A 519 91.687 12.812 40.075 1.00 14.77 C +ATOM 4013 C LYS A 519 90.438 13.622 39.815 1.00 14.75 C +ATOM 4014 O LYS A 519 89.543 13.665 40.658 1.00 15.59 O +ATOM 4015 CB LYS A 519 92.883 13.724 40.405 1.00 13.08 C +ATOM 4016 CG LYS A 519 92.749 14.506 41.705 1.00 10.06 C +ATOM 4017 CD LYS A 519 93.924 15.444 41.922 1.00 10.62 C +ATOM 4018 CE LYS A 519 95.031 14.775 42.728 1.00 14.08 C +ATOM 4019 NZ LYS A 519 96.322 15.529 42.724 1.00 13.36 N +ATOM 4020 N MET A 520 90.347 14.258 38.658 1.00 13.17 N +ATOM 4021 CA MET A 520 89.153 15.040 38.404 1.00 13.61 C +ATOM 4022 C MET A 520 87.903 14.163 38.515 1.00 13.15 C +ATOM 4023 O MET A 520 86.856 14.634 38.932 1.00 13.56 O +ATOM 4024 CB MET A 520 89.224 15.718 37.039 1.00 13.91 C +ATOM 4025 CG MET A 520 90.382 16.671 36.860 1.00 14.04 C +ATOM 4026 SD MET A 520 90.390 17.358 35.192 1.00 16.26 S +ATOM 4027 CE MET A 520 90.804 15.895 34.215 1.00 15.62 C +ATOM 4028 N GLY A 521 88.037 12.890 38.149 1.00 13.79 N +ATOM 4029 CA GLY A 521 86.941 11.938 38.201 1.00 13.70 C +ATOM 4030 C GLY A 521 85.612 12.369 37.603 1.00 14.25 C +ATOM 4031 O GLY A 521 85.581 13.173 36.692 1.00 15.50 O +ATOM 4032 N GLU A 522 84.514 11.819 38.117 1.00 15.48 N +ATOM 4033 CA GLU A 522 83.181 12.155 37.643 1.00 16.68 C +ATOM 4034 C GLU A 522 82.629 13.385 38.340 1.00 17.00 C +ATOM 4035 O GLU A 522 81.856 14.136 37.751 1.00 18.65 O +ATOM 4036 CB GLU A 522 82.216 11.009 37.878 1.00 18.51 C +ATOM 4037 CG GLU A 522 82.659 9.678 37.294 1.00 23.33 C +ATOM 4038 CD GLU A 522 81.482 8.766 36.998 1.00 24.49 C +ATOM 4039 OE1 GLU A 522 80.489 8.802 37.762 1.00 26.47 O +ATOM 4040 OE2 GLU A 522 81.538 8.045 35.986 1.00 25.78 O +ATOM 4041 N LEU A 523 82.966 13.584 39.607 1.00 15.17 N +ATOM 4042 CA LEU A 523 82.446 14.766 40.293 1.00 13.89 C +ATOM 4043 C LEU A 523 83.526 15.612 40.941 1.00 12.27 C +ATOM 4044 O LEU A 523 83.234 16.427 41.811 1.00 11.80 O +ATOM 4045 CB LEU A 523 81.429 14.363 41.345 1.00 13.55 C +ATOM 4046 CG LEU A 523 80.135 13.704 40.890 1.00 14.08 C +ATOM 4047 CD1 LEU A 523 79.465 13.123 42.127 1.00 14.84 C +ATOM 4048 CD2 LEU A 523 79.231 14.709 40.183 1.00 13.16 C +ATOM 4049 N GLY A 524 84.760 15.444 40.481 1.00 10.46 N +ATOM 4050 CA GLY A 524 85.860 16.174 41.049 1.00 9.77 C +ATOM 4051 C GLY A 524 85.925 17.544 40.453 1.00 10.28 C +ATOM 4052 O GLY A 524 85.581 17.702 39.299 1.00 9.83 O +ATOM 4053 N PHE A 525 86.398 18.503 41.252 1.00 10.25 N +ATOM 4054 CA PHE A 525 86.539 19.903 40.886 1.00 9.77 C +ATOM 4055 C PHE A 525 87.959 20.242 41.334 1.00 11.75 C +ATOM 4056 O PHE A 525 88.195 20.505 42.520 1.00 13.73 O +ATOM 4057 CB PHE A 525 85.545 20.724 41.701 1.00 7.13 C +ATOM 4058 CG PHE A 525 85.322 22.122 41.185 1.00 5.77 C +ATOM 4059 CD1 PHE A 525 84.367 22.368 40.209 1.00 2.41 C +ATOM 4060 CD2 PHE A 525 86.000 23.202 41.739 1.00 4.71 C +ATOM 4061 CE1 PHE A 525 84.088 23.655 39.803 1.00 2.88 C +ATOM 4062 CE2 PHE A 525 85.721 24.506 41.332 1.00 2.68 C +ATOM 4063 CZ PHE A 525 84.766 24.729 40.367 1.00 2.53 C +ATOM 4064 N ILE A 526 88.909 20.210 40.406 1.00 11.63 N +ATOM 4065 CA ILE A 526 90.297 20.477 40.759 1.00 11.82 C +ATOM 4066 C ILE A 526 90.797 21.806 40.229 1.00 13.75 C +ATOM 4067 O ILE A 526 91.254 21.893 39.093 1.00 15.14 O +ATOM 4068 CB ILE A 526 91.248 19.359 40.239 1.00 10.90 C +ATOM 4069 CG1 ILE A 526 90.747 17.961 40.649 1.00 8.25 C +ATOM 4070 CG2 ILE A 526 92.658 19.602 40.760 1.00 9.85 C +ATOM 4071 CD1 ILE A 526 90.872 17.628 42.136 1.00 4.74 C +ATOM 4072 N GLN A 527 90.729 22.844 41.054 1.00 15.56 N +ATOM 4073 CA GLN A 527 91.198 24.164 40.642 1.00 14.34 C +ATOM 4074 C GLN A 527 92.726 24.187 40.626 1.00 15.21 C +ATOM 4075 O GLN A 527 93.358 23.886 41.646 1.00 14.90 O +ATOM 4076 CB GLN A 527 90.766 25.225 41.649 1.00 12.67 C +ATOM 4077 CG GLN A 527 89.308 25.526 41.790 1.00 8.99 C +ATOM 4078 CD GLN A 527 89.035 26.094 43.165 1.00 9.11 C +ATOM 4079 OE1 GLN A 527 88.415 25.440 44.002 1.00 8.58 O +ATOM 4080 NE2 GLN A 527 89.559 27.283 43.434 1.00 7.88 N +ATOM 4081 N TRP A 528 93.310 24.574 39.498 1.00 14.48 N +ATOM 4082 CA TRP A 528 94.753 24.690 39.404 1.00 15.40 C +ATOM 4083 C TRP A 528 95.197 25.901 40.252 1.00 17.30 C +ATOM 4084 O TRP A 528 94.371 26.756 40.604 1.00 17.66 O +ATOM 4085 CB TRP A 528 95.191 24.855 37.939 1.00 15.00 C +ATOM 4086 CG TRP A 528 94.631 26.049 37.200 1.00 15.93 C +ATOM 4087 CD1 TRP A 528 93.607 26.048 36.281 1.00 16.17 C +ATOM 4088 CD2 TRP A 528 95.100 27.403 37.268 1.00 15.00 C +ATOM 4089 NE1 TRP A 528 93.422 27.316 35.776 1.00 14.39 N +ATOM 4090 CE2 TRP A 528 94.324 28.165 36.366 1.00 14.89 C +ATOM 4091 CE3 TRP A 528 96.104 28.048 38.003 1.00 14.39 C +ATOM 4092 CZ2 TRP A 528 94.522 29.538 36.182 1.00 14.48 C +ATOM 4093 CZ3 TRP A 528 96.298 29.420 37.815 1.00 14.04 C +ATOM 4094 CH2 TRP A 528 95.511 30.144 36.914 1.00 12.46 C +ATOM 4095 N PRO A 529 96.485 25.957 40.657 1.00 18.63 N +ATOM 4096 CA PRO A 529 97.554 24.985 40.388 1.00 17.54 C +ATOM 4097 C PRO A 529 97.325 23.677 41.129 1.00 17.00 C +ATOM 4098 O PRO A 529 96.783 23.649 42.236 1.00 16.83 O +ATOM 4099 CB PRO A 529 98.810 25.675 40.948 1.00 18.01 C +ATOM 4100 CG PRO A 529 98.442 27.149 41.006 1.00 18.94 C +ATOM 4101 CD PRO A 529 97.008 27.094 41.446 1.00 18.86 C +ATOM 4102 N CYS A 530 97.710 22.592 40.485 1.00 15.99 N +ATOM 4103 CA CYS A 530 97.630 21.272 41.065 1.00 16.26 C +ATOM 4104 C CYS A 530 98.882 20.704 40.442 1.00 17.38 C +ATOM 4105 O CYS A 530 98.935 20.432 39.234 1.00 17.73 O +ATOM 4106 CB CYS A 530 96.394 20.515 40.603 1.00 15.12 C +ATOM 4107 SG CYS A 530 96.239 18.926 41.421 1.00 14.37 S +ATOM 4108 N ARG A 531 99.923 20.647 41.255 1.00 17.70 N +ATOM 4109 CA ARG A 531 101.221 20.197 40.807 1.00 19.17 C +ATOM 4110 C ARG A 531 101.518 18.717 40.978 1.00 21.72 C +ATOM 4111 O ARG A 531 101.998 18.056 40.046 1.00 23.02 O +ATOM 4112 CB ARG A 531 102.293 21.053 41.476 1.00 16.72 C +ATOM 4113 CG ARG A 531 102.166 22.503 41.084 1.00 17.73 C +ATOM 4114 CD ARG A 531 103.185 23.394 41.736 1.00 18.45 C +ATOM 4115 NE ARG A 531 103.740 24.300 40.748 1.00 21.17 N +ATOM 4116 CZ ARG A 531 104.866 24.064 40.084 1.00 23.54 C +ATOM 4117 NH1 ARG A 531 105.550 22.948 40.325 1.00 24.32 N +ATOM 4118 NH2 ARG A 531 105.284 24.912 39.143 1.00 25.59 N +ATOM 4119 N ASP A 532 101.212 18.177 42.146 1.00 22.86 N +ATOM 4120 CA ASP A 532 101.500 16.780 42.379 1.00 25.73 C +ATOM 4121 C ASP A 532 100.335 15.874 42.061 1.00 25.47 C +ATOM 4122 O ASP A 532 99.210 16.156 42.435 1.00 23.94 O +ATOM 4123 CB ASP A 532 101.923 16.569 43.827 1.00 29.18 C +ATOM 4124 CG ASP A 532 102.996 17.548 44.274 1.00 32.28 C +ATOM 4125 OD1 ASP A 532 103.829 17.962 43.422 1.00 32.66 O +ATOM 4126 OD2 ASP A 532 102.997 17.898 45.486 1.00 34.17 O +ATOM 4127 N THR A 533 100.618 14.771 41.381 1.00 26.78 N +ATOM 4128 CA THR A 533 99.579 13.806 41.062 1.00 28.26 C +ATOM 4129 C THR A 533 99.018 13.210 42.363 1.00 28.67 C +ATOM 4130 O THR A 533 97.878 12.711 42.406 1.00 28.57 O +ATOM 4131 CB THR A 533 100.113 12.737 40.117 1.00 27.70 C +ATOM 4132 OG1 THR A 533 100.368 13.335 38.839 1.00 27.49 O +ATOM 4133 CG2 THR A 533 99.083 11.655 39.912 1.00 32.14 C +ATOM 4134 N SER A 534 99.826 13.302 43.422 1.00 29.18 N +ATOM 4135 CA SER A 534 99.465 12.848 44.764 1.00 29.57 C +ATOM 4136 C SER A 534 98.041 13.272 45.131 1.00 30.47 C +ATOM 4137 O SER A 534 97.707 14.459 45.101 1.00 30.96 O +ATOM 4138 CB SER A 534 100.433 13.469 45.777 1.00 29.36 C +ATOM 4139 OG SER A 534 99.877 13.498 47.088 1.00 29.66 O +ATOM 4140 N ASP A 535 97.220 12.320 45.552 1.00 31.63 N +ATOM 4141 CA ASP A 535 95.854 12.667 45.923 1.00 32.41 C +ATOM 4142 C ASP A 535 95.736 13.576 47.144 1.00 30.68 C +ATOM 4143 O ASP A 535 94.645 13.965 47.527 1.00 29.87 O +ATOM 4144 CB ASP A 535 94.949 11.429 46.021 1.00 33.95 C +ATOM 4145 CG ASP A 535 93.916 11.380 44.883 1.00 35.97 C +ATOM 4146 OD1 ASP A 535 93.123 12.340 44.755 1.00 35.90 O +ATOM 4147 OD2 ASP A 535 93.912 10.410 44.094 1.00 36.89 O +ATOM 4148 N ALA A 536 96.861 13.942 47.736 1.00 29.45 N +ATOM 4149 CA ALA A 536 96.840 14.850 48.869 1.00 29.44 C +ATOM 4150 C ALA A 536 96.767 16.257 48.311 1.00 29.47 C +ATOM 4151 O ALA A 536 96.458 17.203 49.026 1.00 31.17 O +ATOM 4152 CB ALA A 536 98.099 14.710 49.664 1.00 30.27 C +ATOM 4153 N ASP A 537 97.101 16.383 47.035 1.00 28.39 N +ATOM 4154 CA ASP A 537 97.113 17.654 46.334 1.00 27.39 C +ATOM 4155 C ASP A 537 95.763 17.804 45.621 1.00 27.24 C +ATOM 4156 O ASP A 537 95.624 17.509 44.428 1.00 27.92 O +ATOM 4157 CB ASP A 537 98.272 17.637 45.323 1.00 28.21 C +ATOM 4158 CG ASP A 537 98.567 18.997 44.719 1.00 27.57 C +ATOM 4159 OD1 ASP A 537 97.626 19.728 44.353 1.00 28.95 O +ATOM 4160 OD2 ASP A 537 99.765 19.321 44.582 1.00 28.94 O +ATOM 4161 N GLN A 538 94.764 18.285 46.343 1.00 25.04 N +ATOM 4162 CA GLN A 538 93.458 18.449 45.735 1.00 22.65 C +ATOM 4163 C GLN A 538 93.243 19.744 44.942 1.00 21.09 C +ATOM 4164 O GLN A 538 92.200 19.925 44.341 1.00 20.61 O +ATOM 4165 CB GLN A 538 92.368 18.231 46.784 1.00 22.04 C +ATOM 4166 CG GLN A 538 92.194 16.773 47.155 1.00 21.97 C +ATOM 4167 CD GLN A 538 92.044 15.877 45.922 1.00 24.51 C +ATOM 4168 OE1 GLN A 538 91.584 16.323 44.870 1.00 28.00 O +ATOM 4169 NE2 GLN A 538 92.458 14.624 46.040 1.00 22.57 N +ATOM 4170 N GLY A 539 94.240 20.621 44.903 1.00 19.93 N +ATOM 4171 CA GLY A 539 94.086 21.865 44.165 1.00 20.02 C +ATOM 4172 C GLY A 539 94.165 23.143 45.001 1.00 19.09 C +ATOM 4173 O GLY A 539 94.103 23.109 46.236 1.00 20.09 O +ATOM 4174 N THR A 540 94.207 24.285 44.327 1.00 17.24 N +ATOM 4175 CA THR A 540 94.342 25.565 44.998 1.00 16.59 C +ATOM 4176 C THR A 540 93.017 26.316 45.064 1.00 17.15 C +ATOM 4177 O THR A 540 92.432 26.659 44.038 1.00 17.47 O +ATOM 4178 CB THR A 540 95.428 26.374 44.278 1.00 17.10 C +ATOM 4179 OG1 THR A 540 96.670 25.667 44.364 1.00 18.79 O +ATOM 4180 CG2 THR A 540 95.610 27.723 44.878 1.00 19.58 C +ATOM 4181 N SER A 541 92.541 26.574 46.281 1.00 17.43 N +ATOM 4182 CA SER A 541 91.267 27.262 46.480 1.00 17.43 C +ATOM 4183 C SER A 541 91.303 28.770 46.335 1.00 18.63 C +ATOM 4184 O SER A 541 90.328 29.372 45.879 1.00 20.66 O +ATOM 4185 CB SER A 541 90.680 26.943 47.836 1.00 15.38 C +ATOM 4186 OG SER A 541 89.413 27.556 47.958 1.00 15.48 O +ATOM 4187 N TYR A 542 92.342 29.397 46.858 1.00 17.46 N +ATOM 4188 CA TYR A 542 92.451 30.836 46.737 1.00 17.99 C +ATOM 4189 C TYR A 542 93.917 31.119 46.470 1.00 19.49 C +ATOM 4190 O TYR A 542 94.794 30.287 46.780 1.00 20.69 O +ATOM 4191 CB TYR A 542 91.918 31.573 47.977 1.00 16.60 C +ATOM 4192 CG TYR A 542 92.720 31.419 49.257 1.00 17.14 C +ATOM 4193 CD1 TYR A 542 93.810 32.231 49.509 1.00 16.36 C +ATOM 4194 CD2 TYR A 542 92.383 30.469 50.217 1.00 18.21 C +ATOM 4195 CE1 TYR A 542 94.549 32.112 50.665 1.00 15.22 C +ATOM 4196 CE2 TYR A 542 93.125 30.340 51.384 1.00 17.49 C +ATOM 4197 CZ TYR A 542 94.213 31.172 51.592 1.00 17.18 C +ATOM 4198 OH TYR A 542 94.996 31.047 52.713 1.00 19.01 O +ATOM 4199 N LEU A 543 94.187 32.259 45.845 1.00 17.92 N +ATOM 4200 CA LEU A 543 95.542 32.604 45.503 1.00 15.81 C +ATOM 4201 C LEU A 543 96.157 33.628 46.428 1.00 15.56 C +ATOM 4202 O LEU A 543 95.533 34.124 47.365 1.00 13.22 O +ATOM 4203 CB LEU A 543 95.605 33.114 44.058 1.00 14.60 C +ATOM 4204 CG LEU A 543 95.051 32.205 42.950 1.00 13.25 C +ATOM 4205 CD1 LEU A 543 95.254 32.859 41.577 1.00 10.93 C +ATOM 4206 CD2 LEU A 543 95.714 30.827 42.999 1.00 10.03 C +ATOM 4207 N PHE A 544 97.435 33.868 46.182 1.00 16.37 N +ATOM 4208 CA PHE A 544 98.206 34.858 46.908 1.00 15.87 C +ATOM 4209 C PHE A 544 98.218 34.685 48.414 1.00 17.91 C +ATOM 4210 O PHE A 544 98.154 35.666 49.145 1.00 18.31 O +ATOM 4211 CB PHE A 544 97.716 36.262 46.536 1.00 12.58 C +ATOM 4212 CG PHE A 544 97.231 36.386 45.110 1.00 8.78 C +ATOM 4213 CD1 PHE A 544 98.009 35.950 44.053 1.00 8.58 C +ATOM 4214 CD2 PHE A 544 95.997 36.951 44.837 1.00 9.04 C +ATOM 4215 CE1 PHE A 544 97.573 36.066 42.754 1.00 7.35 C +ATOM 4216 CE2 PHE A 544 95.545 37.077 43.535 1.00 8.09 C +ATOM 4217 CZ PHE A 544 96.339 36.635 42.494 1.00 9.18 C +ATOM 4218 N LYS A 545 98.326 33.439 48.876 1.00 21.09 N +ATOM 4219 CA LYS A 545 98.391 33.162 50.317 1.00 22.28 C +ATOM 4220 C LYS A 545 99.741 33.574 50.927 1.00 22.04 C +ATOM 4221 O LYS A 545 99.796 34.113 52.031 1.00 20.58 O +ATOM 4222 CB LYS A 545 98.133 31.684 50.622 1.00 22.60 C +ATOM 4223 CG LYS A 545 97.863 31.450 52.109 1.00 23.46 C +ATOM 4224 CD LYS A 545 97.881 30.002 52.484 1.00 25.21 C +ATOM 4225 CE LYS A 545 98.001 29.877 53.985 1.00 28.98 C +ATOM 4226 NZ LYS A 545 98.562 28.543 54.422 1.00 33.36 N +ATOM 4227 N GLU A 546 100.828 33.305 50.215 1.00 23.83 N +ATOM 4228 CA GLU A 546 102.154 33.666 50.716 1.00 26.14 C +ATOM 4229 C GLU A 546 102.744 34.881 49.986 1.00 25.26 C +ATOM 4230 O GLU A 546 103.180 35.841 50.617 1.00 25.23 O +ATOM 4231 CB GLU A 546 103.092 32.456 50.670 1.00 29.12 C +ATOM 4232 CG GLU A 546 102.651 31.281 51.589 1.00 33.84 C +ATOM 4233 CD GLU A 546 102.768 31.596 53.091 1.00 36.84 C +ATOM 4234 OE1 GLU A 546 103.897 31.881 53.561 1.00 39.16 O +ATOM 4235 OE2 GLU A 546 101.740 31.539 53.807 1.00 38.95 O +ATOM 4236 N LYS A 547 102.738 34.856 48.662 1.00 24.49 N +ATOM 4237 CA LYS A 547 103.243 35.989 47.909 1.00 24.59 C +ATOM 4238 C LYS A 547 102.239 36.303 46.805 1.00 23.54 C +ATOM 4239 O LYS A 547 101.279 35.561 46.634 1.00 22.83 O +ATOM 4240 CB LYS A 547 104.643 35.719 47.349 1.00 26.55 C +ATOM 4241 CG LYS A 547 104.717 34.667 46.264 1.00 29.20 C +ATOM 4242 CD LYS A 547 106.154 34.480 45.785 1.00 31.07 C +ATOM 4243 CE LYS A 547 106.199 33.518 44.603 1.00 32.92 C +ATOM 4244 NZ LYS A 547 105.236 33.939 43.524 1.00 34.06 N +ATOM 4245 N PHE A 548 102.475 37.380 46.052 1.00 22.27 N +ATOM 4246 CA PHE A 548 101.561 37.813 45.004 1.00 20.69 C +ATOM 4247 C PHE A 548 101.836 37.445 43.547 1.00 22.03 C +ATOM 4248 O PHE A 548 101.165 37.971 42.665 1.00 24.44 O +ATOM 4249 CB PHE A 548 101.352 39.326 45.081 1.00 17.79 C +ATOM 4250 CG PHE A 548 100.208 39.751 45.964 1.00 18.14 C +ATOM 4251 CD1 PHE A 548 98.945 39.209 45.815 1.00 16.39 C +ATOM 4252 CD2 PHE A 548 100.395 40.708 46.956 1.00 17.97 C +ATOM 4253 CE1 PHE A 548 97.888 39.611 46.645 1.00 15.32 C +ATOM 4254 CE2 PHE A 548 99.338 41.105 47.778 1.00 16.20 C +ATOM 4255 CZ PHE A 548 98.088 40.554 47.620 1.00 14.35 C +ATOM 4256 N ASP A 549 102.813 36.602 43.245 1.00 20.72 N +ATOM 4257 CA ASP A 549 103.036 36.272 41.830 1.00 21.70 C +ATOM 4258 C ASP A 549 103.521 37.424 40.933 1.00 22.29 C +ATOM 4259 O ASP A 549 103.677 37.243 39.716 1.00 21.99 O +ATOM 4260 CB ASP A 549 101.771 35.697 41.197 1.00 21.26 C +ATOM 4261 CG ASP A 549 101.313 34.438 41.858 1.00 22.63 C +ATOM 4262 OD1 ASP A 549 101.826 34.095 42.953 1.00 20.84 O +ATOM 4263 OD2 ASP A 549 100.425 33.788 41.265 1.00 25.27 O +ATOM 4264 N THR A 550 103.652 38.623 41.496 1.00 21.83 N +ATOM 4265 CA THR A 550 104.170 39.752 40.734 1.00 20.40 C +ATOM 4266 C THR A 550 105.673 39.461 40.687 1.00 21.06 C +ATOM 4267 O THR A 550 106.166 38.599 41.440 1.00 20.83 O +ATOM 4268 CB THR A 550 103.864 41.087 41.430 1.00 19.33 C +ATOM 4269 OG1 THR A 550 104.047 40.945 42.845 1.00 19.02 O +ATOM 4270 CG2 THR A 550 102.437 41.522 41.134 1.00 15.56 C +ATOM 4271 N PRO A 551 106.422 40.137 39.809 1.00 21.28 N +ATOM 4272 CA PRO A 551 107.862 39.851 39.752 1.00 22.10 C +ATOM 4273 C PRO A 551 108.574 39.937 41.082 1.00 22.04 C +ATOM 4274 O PRO A 551 109.501 39.184 41.328 1.00 23.96 O +ATOM 4275 CB PRO A 551 108.392 40.866 38.742 1.00 22.42 C +ATOM 4276 CG PRO A 551 107.314 41.962 38.730 1.00 24.48 C +ATOM 4277 CD PRO A 551 106.045 41.179 38.845 1.00 21.99 C +ATOM 4278 N ASN A 552 108.084 40.797 41.964 1.00 21.90 N +ATOM 4279 CA ASN A 552 108.686 40.970 43.273 1.00 21.38 C +ATOM 4280 C ASN A 552 107.745 40.707 44.460 1.00 21.70 C +ATOM 4281 O ASN A 552 107.947 41.262 45.533 1.00 23.16 O +ATOM 4282 CB ASN A 552 109.293 42.370 43.382 1.00 22.16 C +ATOM 4283 CG ASN A 552 108.247 43.446 43.501 1.00 22.09 C +ATOM 4284 OD1 ASN A 552 107.304 43.510 42.708 1.00 23.05 O +ATOM 4285 ND2 ASN A 552 108.403 44.302 44.493 1.00 23.52 N +ATOM 4286 N GLY A 553 106.669 39.952 44.238 1.00 20.65 N +ATOM 4287 CA GLY A 553 105.759 39.588 45.309 1.00 17.99 C +ATOM 4288 C GLY A 553 104.801 40.559 45.958 1.00 18.37 C +ATOM 4289 O GLY A 553 104.041 40.165 46.845 1.00 17.45 O +ATOM 4290 N LEU A 554 104.810 41.819 45.559 1.00 19.48 N +ATOM 4291 CA LEU A 554 103.870 42.781 46.160 1.00 19.46 C +ATOM 4292 C LEU A 554 102.731 43.086 45.186 1.00 18.87 C +ATOM 4293 O LEU A 554 102.920 43.002 43.972 1.00 19.74 O +ATOM 4294 CB LEU A 554 104.595 44.094 46.482 1.00 18.07 C +ATOM 4295 CG LEU A 554 105.944 44.013 47.197 1.00 16.98 C +ATOM 4296 CD1 LEU A 554 106.512 45.399 47.398 1.00 17.17 C +ATOM 4297 CD2 LEU A 554 105.769 43.328 48.521 1.00 17.13 C +ATOM 4298 N ALA A 555 101.539 43.371 45.684 1.00 18.39 N +ATOM 4299 CA ALA A 555 100.458 43.742 44.778 1.00 19.08 C +ATOM 4300 C ALA A 555 100.831 45.170 44.367 1.00 21.92 C +ATOM 4301 O ALA A 555 101.543 45.867 45.121 1.00 23.78 O +ATOM 4302 CB ALA A 555 99.160 43.749 45.494 1.00 18.32 C +ATOM 4303 N GLN A 556 100.400 45.603 43.181 1.00 21.89 N +ATOM 4304 CA GLN A 556 100.706 46.948 42.702 1.00 20.51 C +ATOM 4305 C GLN A 556 99.478 47.838 42.663 1.00 20.14 C +ATOM 4306 O GLN A 556 98.600 47.656 41.821 1.00 20.71 O +ATOM 4307 CB GLN A 556 101.350 46.885 41.326 1.00 21.16 C +ATOM 4308 CG GLN A 556 102.874 47.084 41.331 1.00 25.44 C +ATOM 4309 CD GLN A 556 103.678 45.985 42.077 1.00 27.25 C +ATOM 4310 OE1 GLN A 556 104.789 46.239 42.555 1.00 25.75 O +ATOM 4311 NE2 GLN A 556 103.137 44.774 42.140 1.00 25.38 N +ATOM 4312 N PHE A 557 99.412 48.790 43.589 1.00 19.27 N +ATOM 4313 CA PHE A 557 98.297 49.738 43.690 1.00 18.73 C +ATOM 4314 C PHE A 557 98.114 50.536 42.401 1.00 18.75 C +ATOM 4315 O PHE A 557 99.097 50.910 41.769 1.00 19.61 O +ATOM 4316 CB PHE A 557 98.585 50.727 44.809 1.00 17.53 C +ATOM 4317 CG PHE A 557 97.712 50.565 46.018 1.00 18.84 C +ATOM 4318 CD1 PHE A 557 96.390 51.021 46.006 1.00 18.81 C +ATOM 4319 CD2 PHE A 557 98.228 50.029 47.198 1.00 17.10 C +ATOM 4320 CE1 PHE A 557 95.602 50.954 47.156 1.00 18.93 C +ATOM 4321 CE2 PHE A 557 97.446 49.959 48.344 1.00 18.66 C +ATOM 4322 CZ PHE A 557 96.127 50.426 48.325 1.00 17.09 C +ATOM 4323 N PHE A 558 96.873 50.871 42.050 1.00 19.16 N +ATOM 4324 CA PHE A 558 96.634 51.642 40.833 1.00 18.43 C +ATOM 4325 C PHE A 558 95.247 52.233 40.557 1.00 18.69 C +ATOM 4326 O PHE A 558 94.233 51.647 40.885 1.00 19.13 O +ATOM 4327 CB PHE A 558 97.069 50.816 39.621 1.00 18.26 C +ATOM 4328 CG PHE A 558 96.833 51.499 38.312 1.00 19.11 C +ATOM 4329 CD1 PHE A 558 97.771 52.387 37.802 1.00 18.46 C +ATOM 4330 CD2 PHE A 558 95.651 51.278 37.602 1.00 19.54 C +ATOM 4331 CE1 PHE A 558 97.536 53.050 36.609 1.00 19.34 C +ATOM 4332 CE2 PHE A 558 95.398 51.928 36.409 1.00 20.34 C +ATOM 4333 CZ PHE A 558 96.345 52.823 35.905 1.00 20.99 C +ATOM 4334 N THR A 559 95.249 53.426 39.971 1.00 21.22 N +ATOM 4335 CA THR A 559 94.065 54.160 39.495 1.00 24.03 C +ATOM 4336 C THR A 559 94.510 55.224 38.505 1.00 24.88 C +ATOM 4337 O THR A 559 95.699 55.409 38.242 1.00 24.88 O +ATOM 4338 CB THR A 559 93.204 54.917 40.560 1.00 24.71 C +ATOM 4339 OG1 THR A 559 94.020 55.562 41.552 1.00 25.75 O +ATOM 4340 CG2 THR A 559 92.170 54.026 41.136 1.00 24.80 C +ATOM 4341 N CYS A 560 93.532 55.967 38.016 1.00 26.27 N +ATOM 4342 CA CYS A 560 93.765 57.034 37.073 1.00 27.43 C +ATOM 4343 C CYS A 560 92.536 57.913 37.167 1.00 27.70 C +ATOM 4344 O CYS A 560 91.717 57.747 38.077 1.00 27.21 O +ATOM 4345 CB CYS A 560 93.925 56.466 35.664 1.00 26.93 C +ATOM 4346 SG CYS A 560 92.521 55.536 35.077 1.00 29.10 S +ATOM 4347 N ASP A 561 92.432 58.879 36.269 1.00 28.58 N +ATOM 4348 CA ASP A 561 91.279 59.758 36.270 1.00 29.48 C +ATOM 4349 C ASP A 561 90.162 59.164 35.421 1.00 29.81 C +ATOM 4350 O ASP A 561 90.402 58.458 34.418 1.00 28.00 O +ATOM 4351 CB ASP A 561 91.653 61.150 35.761 1.00 30.47 C +ATOM 4352 CG ASP A 561 92.504 61.917 36.749 1.00 32.23 C +ATOM 4353 OD1 ASP A 561 92.017 62.178 37.882 1.00 31.40 O +ATOM 4354 OD2 ASP A 561 93.659 62.262 36.385 1.00 33.69 O +ATOM 4355 N TRP A 562 88.937 59.393 35.872 1.00 29.46 N +ATOM 4356 CA TRP A 562 87.786 58.896 35.153 1.00 29.70 C +ATOM 4357 C TRP A 562 87.795 59.515 33.745 1.00 29.34 C +ATOM 4358 O TRP A 562 88.401 60.558 33.517 1.00 28.68 O +ATOM 4359 CB TRP A 562 86.509 59.287 35.913 1.00 30.30 C +ATOM 4360 CG TRP A 562 85.273 58.993 35.144 1.00 31.58 C +ATOM 4361 CD1 TRP A 562 84.750 57.758 34.882 1.00 32.22 C +ATOM 4362 CD2 TRP A 562 84.462 59.932 34.420 1.00 32.00 C +ATOM 4363 NE1 TRP A 562 83.680 57.869 34.022 1.00 30.90 N +ATOM 4364 CE2 TRP A 562 83.478 59.189 33.725 1.00 31.51 C +ATOM 4365 CE3 TRP A 562 84.477 61.326 34.285 1.00 31.66 C +ATOM 4366 CZ2 TRP A 562 82.520 59.791 32.907 1.00 31.20 C +ATOM 4367 CZ3 TRP A 562 83.522 61.926 33.467 1.00 31.84 C +ATOM 4368 CH2 TRP A 562 82.558 61.156 32.790 1.00 31.86 C +ATOM 4369 N VAL A 563 87.205 58.820 32.787 1.00 28.99 N +ATOM 4370 CA VAL A 563 87.084 59.331 31.430 1.00 29.01 C +ATOM 4371 C VAL A 563 85.785 58.711 30.932 1.00 30.65 C +ATOM 4372 O VAL A 563 85.542 57.512 31.098 1.00 30.57 O +ATOM 4373 CB VAL A 563 88.262 58.920 30.486 1.00 28.75 C +ATOM 4374 CG1 VAL A 563 88.034 59.473 29.082 1.00 26.35 C +ATOM 4375 CG2 VAL A 563 89.588 59.419 31.019 1.00 26.11 C +ATOM 4376 N ALA A 564 84.921 59.550 30.385 1.00 32.03 N +ATOM 4377 CA ALA A 564 83.646 59.095 29.881 1.00 33.84 C +ATOM 4378 C ALA A 564 83.783 58.197 28.662 1.00 36.09 C +ATOM 4379 O ALA A 564 84.808 58.210 27.973 1.00 35.93 O +ATOM 4380 CB ALA A 564 82.787 60.278 29.553 1.00 34.67 C +ATOM 4381 N PRO A 565 82.764 57.355 28.409 1.00 38.25 N +ATOM 4382 CA PRO A 565 82.833 56.475 27.246 1.00 40.20 C +ATOM 4383 C PRO A 565 82.941 57.359 26.009 1.00 42.68 C +ATOM 4384 O PRO A 565 82.661 58.565 26.068 1.00 42.93 O +ATOM 4385 CB PRO A 565 81.492 55.747 27.300 1.00 39.62 C +ATOM 4386 CG PRO A 565 81.186 55.720 28.770 1.00 38.73 C +ATOM 4387 CD PRO A 565 81.532 57.108 29.181 1.00 37.60 C +ATOM 4388 N ILE A 566 83.241 56.737 24.878 1.00 45.26 N +ATOM 4389 CA ILE A 566 83.431 57.464 23.632 1.00 48.31 C +ATOM 4390 C ILE A 566 82.312 58.350 23.089 1.00 51.27 C +ATOM 4391 O ILE A 566 82.429 59.571 23.160 1.00 53.11 O +ATOM 4392 CB ILE A 566 83.991 56.530 22.575 1.00 47.45 C +ATOM 4393 CG1 ILE A 566 85.370 56.061 23.059 1.00 45.84 C +ATOM 4394 CG2 ILE A 566 84.030 57.221 21.215 1.00 47.87 C +ATOM 4395 CD1 ILE A 566 85.999 55.043 22.226 1.00 45.47 C +ATOM 4396 N ASP A 567 81.248 57.757 22.548 1.00 53.60 N +ATOM 4397 CA ASP A 567 80.119 58.518 21.986 1.00 56.21 C +ATOM 4398 C ASP A 567 79.575 59.571 22.969 1.00 58.46 C +ATOM 4399 O ASP A 567 79.857 59.498 24.162 1.00 58.89 O +ATOM 4400 CB ASP A 567 78.989 57.548 21.611 1.00 56.04 C +ATOM 4401 CG ASP A 567 79.468 56.356 20.772 1.00 56.42 C +ATOM 4402 OD1 ASP A 567 80.615 56.361 20.275 1.00 57.03 O +ATOM 4403 OD2 ASP A 567 78.686 55.397 20.610 1.00 55.42 O +ATOM 4404 N LYS A 568 78.812 60.554 22.488 1.00 60.98 N +ATOM 4405 CA LYS A 568 78.250 61.541 23.413 1.00 64.18 C +ATOM 4406 C LYS A 568 76.744 61.729 23.269 1.00 65.15 C +ATOM 4407 O LYS A 568 76.235 62.001 22.177 1.00 65.66 O +ATOM 4408 CB LYS A 568 78.933 62.918 23.319 1.00 66.33 C +ATOM 4409 CG LYS A 568 78.261 63.972 24.263 1.00 67.62 C +ATOM 4410 CD LYS A 568 78.377 65.418 23.781 1.00 67.05 C +ATOM 4411 CE LYS A 568 79.777 65.949 23.969 1.00 67.33 C +ATOM 4412 NZ LYS A 568 79.896 67.351 23.483 1.00 67.77 N +ATOM 4413 N LEU A 569 76.043 61.628 24.392 1.00 65.90 N +ATOM 4414 CA LEU A 569 74.606 61.807 24.402 1.00 66.47 C +ATOM 4415 C LEU A 569 74.313 63.228 23.955 1.00 67.13 C +ATOM 4416 O LEU A 569 74.732 64.194 24.607 1.00 67.78 O +ATOM 4417 CB LEU A 569 74.044 61.589 25.806 1.00 65.79 C +ATOM 4418 CG LEU A 569 74.395 60.255 26.443 1.00 65.16 C +ATOM 4419 CD1 LEU A 569 73.645 60.139 27.749 1.00 65.25 C +ATOM 4420 CD2 LEU A 569 74.051 59.108 25.496 1.00 65.25 C +ATOM 4421 N THR A 570 73.672 63.346 22.798 1.00 67.09 N +ATOM 4422 CA THR A 570 73.307 64.649 22.262 1.00 67.04 C +ATOM 4423 C THR A 570 71.925 65.053 22.828 1.00 67.84 C +ATOM 4424 O THR A 570 71.534 64.606 23.915 1.00 67.25 O +ATOM 4425 CB THR A 570 73.284 64.604 20.711 1.00 65.46 C +ATOM 4426 OG1 THR A 570 72.106 63.929 20.266 1.00 63.32 O +ATOM 4427 CG2 THR A 570 74.504 63.850 20.180 1.00 63.81 C +ATOM 4428 N ASP A 571 71.214 65.935 22.125 1.00 68.51 N +ATOM 4429 CA ASP A 571 69.875 66.332 22.551 1.00 69.20 C +ATOM 4430 C ASP A 571 68.898 65.402 21.823 1.00 69.67 C +ATOM 4431 O ASP A 571 67.732 65.256 22.211 1.00 70.69 O +ATOM 4432 CB ASP A 571 69.593 67.798 22.196 1.00 69.60 C +ATOM 4433 CG ASP A 571 69.364 68.017 20.710 1.00 69.58 C +ATOM 4434 OD1 ASP A 571 70.359 68.074 19.955 1.00 68.24 O +ATOM 4435 OD2 ASP A 571 68.182 68.142 20.307 1.00 70.11 O +ATOM 4436 N GLU A 572 69.398 64.784 20.755 1.00 68.92 N +ATOM 4437 CA GLU A 572 68.622 63.856 19.950 1.00 68.05 C +ATOM 4438 C GLU A 572 68.717 62.425 20.483 1.00 67.00 C +ATOM 4439 O GLU A 572 67.766 61.650 20.391 1.00 68.15 O +ATOM 4440 CB GLU A 572 69.140 63.871 18.516 1.00 69.17 C +ATOM 4441 CG GLU A 572 68.667 65.038 17.699 1.00 74.00 C +ATOM 4442 CD GLU A 572 67.148 65.042 17.514 1.00 76.30 C +ATOM 4443 OE1 GLU A 572 66.601 64.058 16.947 1.00 75.58 O +ATOM 4444 OE2 GLU A 572 66.509 66.037 17.939 1.00 77.57 O +ATOM 4445 N TYR A 573 69.865 62.073 21.054 1.00 63.94 N +ATOM 4446 CA TYR A 573 70.070 60.720 21.535 1.00 59.77 C +ATOM 4447 C TYR A 573 70.524 60.718 22.967 1.00 58.18 C +ATOM 4448 O TYR A 573 71.576 60.171 23.277 1.00 58.30 O +ATOM 4449 CB TYR A 573 71.127 60.007 20.675 1.00 59.09 C +ATOM 4450 CG TYR A 573 71.186 60.528 19.267 1.00 59.10 C +ATOM 4451 CD1 TYR A 573 70.153 60.282 18.377 1.00 59.17 C +ATOM 4452 CD2 TYR A 573 72.188 61.408 18.877 1.00 60.50 C +ATOM 4453 CE1 TYR A 573 70.098 60.909 17.144 1.00 59.76 C +ATOM 4454 CE2 TYR A 573 72.144 62.050 17.642 1.00 60.81 C +ATOM 4455 CZ TYR A 573 71.087 61.798 16.784 1.00 60.58 C +ATOM 4456 OH TYR A 573 70.987 62.480 15.592 1.00 61.59 O +ATOM 4457 N PRO A 574 69.759 61.346 23.872 1.00 56.67 N +ATOM 4458 CA PRO A 574 70.240 61.306 25.261 1.00 55.57 C +ATOM 4459 C PRO A 574 70.262 59.856 25.762 1.00 54.21 C +ATOM 4460 O PRO A 574 70.726 59.563 26.870 1.00 53.36 O +ATOM 4461 CB PRO A 574 69.215 62.175 26.011 1.00 55.72 C +ATOM 4462 CG PRO A 574 67.975 62.100 25.151 1.00 55.38 C +ATOM 4463 CD PRO A 574 68.533 62.155 23.752 1.00 55.81 C +ATOM 4464 N MET A 575 69.767 58.962 24.906 1.00 52.66 N +ATOM 4465 CA MET A 575 69.686 57.541 25.178 1.00 51.43 C +ATOM 4466 C MET A 575 70.995 56.754 25.113 1.00 50.15 C +ATOM 4467 O MET A 575 71.717 56.790 24.115 1.00 51.44 O +ATOM 4468 CB MET A 575 68.629 56.912 24.271 1.00 50.76 C +ATOM 4469 CG MET A 575 67.238 57.098 24.820 1.00 50.69 C +ATOM 4470 SD MET A 575 67.238 56.561 26.545 1.00 50.46 S +ATOM 4471 CE MET A 575 65.627 57.130 27.108 1.00 52.30 C +ATOM 4472 N VAL A 576 71.285 56.042 26.197 1.00 47.35 N +ATOM 4473 CA VAL A 576 72.480 55.218 26.308 1.00 45.04 C +ATOM 4474 C VAL A 576 72.089 53.756 26.063 1.00 42.89 C +ATOM 4475 O VAL A 576 71.238 53.228 26.772 1.00 43.65 O +ATOM 4476 CB VAL A 576 73.078 55.298 27.760 1.00 45.71 C +ATOM 4477 CG1 VAL A 576 74.246 54.325 27.923 1.00 44.30 C +ATOM 4478 CG2 VAL A 576 73.514 56.711 28.096 1.00 44.58 C +ATOM 4479 N LEU A 577 72.637 53.114 25.039 1.00 39.73 N +ATOM 4480 CA LEU A 577 72.330 51.701 24.838 1.00 36.81 C +ATOM 4481 C LEU A 577 73.403 50.932 25.594 1.00 34.94 C +ATOM 4482 O LEU A 577 74.602 51.172 25.414 1.00 35.10 O +ATOM 4483 CB LEU A 577 72.363 51.294 23.355 1.00 36.40 C +ATOM 4484 CG LEU A 577 72.329 49.772 23.079 1.00 36.55 C +ATOM 4485 CD1 LEU A 577 70.963 49.211 23.439 1.00 37.81 C +ATOM 4486 CD2 LEU A 577 72.678 49.420 21.629 1.00 34.20 C +ATOM 4487 N SER A 578 72.988 50.056 26.487 1.00 32.61 N +ATOM 4488 CA SER A 578 73.955 49.262 27.218 1.00 31.91 C +ATOM 4489 C SER A 578 73.573 47.822 26.942 1.00 31.19 C +ATOM 4490 O SER A 578 72.508 47.363 27.362 1.00 30.06 O +ATOM 4491 CB SER A 578 73.887 49.592 28.705 1.00 31.84 C +ATOM 4492 OG SER A 578 74.759 48.785 29.465 1.00 32.21 O +ATOM 4493 N THR A 579 74.366 47.151 26.114 1.00 31.35 N +ATOM 4494 CA THR A 579 74.061 45.773 25.784 1.00 31.33 C +ATOM 4495 C THR A 579 74.479 44.839 26.902 1.00 32.45 C +ATOM 4496 O THR A 579 75.535 44.992 27.523 1.00 31.96 O +ATOM 4497 CB THR A 579 74.638 45.329 24.443 1.00 29.78 C +ATOM 4498 OG1 THR A 579 76.059 45.163 24.542 1.00 30.20 O +ATOM 4499 CG2 THR A 579 74.296 46.353 23.385 1.00 28.40 C +ATOM 4500 N VAL A 580 73.608 43.868 27.134 1.00 33.43 N +ATOM 4501 CA VAL A 580 73.735 42.886 28.185 1.00 33.40 C +ATOM 4502 C VAL A 580 73.388 41.526 27.547 1.00 32.97 C +ATOM 4503 O VAL A 580 73.590 41.325 26.344 1.00 32.38 O +ATOM 4504 CB VAL A 580 72.757 43.304 29.343 1.00 32.29 C +ATOM 4505 CG1 VAL A 580 71.311 43.293 28.864 1.00 31.45 C +ATOM 4506 CG2 VAL A 580 72.952 42.455 30.573 1.00 34.30 C +ATOM 4507 N ARG A 581 72.888 40.600 28.350 1.00 34.01 N +ATOM 4508 CA ARG A 581 72.491 39.273 27.903 1.00 35.42 C +ATOM 4509 C ARG A 581 71.160 38.986 28.609 1.00 36.25 C +ATOM 4510 O ARG A 581 70.704 39.793 29.427 1.00 36.73 O +ATOM 4511 CB ARG A 581 73.557 38.234 28.301 1.00 35.41 C +ATOM 4512 CG ARG A 581 73.915 38.202 29.799 1.00 36.63 C +ATOM 4513 CD ARG A 581 75.421 37.976 30.029 1.00 37.12 C +ATOM 4514 NE ARG A 581 76.254 39.036 29.448 1.00 38.30 N +ATOM 4515 CZ ARG A 581 77.138 38.860 28.465 1.00 39.38 C +ATOM 4516 NH1 ARG A 581 77.343 37.660 27.931 1.00 40.09 N +ATOM 4517 NH2 ARG A 581 77.778 39.899 27.963 1.00 39.83 N +ATOM 4518 N GLU A 582 70.498 37.894 28.247 1.00 36.96 N +ATOM 4519 CA GLU A 582 69.241 37.538 28.900 1.00 36.49 C +ATOM 4520 C GLU A 582 69.332 36.093 29.373 1.00 35.03 C +ATOM 4521 O GLU A 582 70.216 35.355 28.935 1.00 34.78 O +ATOM 4522 CB GLU A 582 68.054 37.743 27.949 1.00 38.00 C +ATOM 4523 CG GLU A 582 67.662 36.546 27.106 1.00 41.14 C +ATOM 4524 CD GLU A 582 66.769 36.918 25.938 1.00 43.73 C +ATOM 4525 OE1 GLU A 582 66.949 38.017 25.364 1.00 44.32 O +ATOM 4526 OE2 GLU A 582 65.883 36.106 25.589 1.00 45.09 O +ATOM 4527 N VAL A 583 68.469 35.706 30.303 1.00 33.54 N +ATOM 4528 CA VAL A 583 68.465 34.334 30.798 1.00 33.31 C +ATOM 4529 C VAL A 583 67.682 33.490 29.812 1.00 33.15 C +ATOM 4530 O VAL A 583 67.032 34.025 28.919 1.00 35.91 O +ATOM 4531 CB VAL A 583 67.754 34.209 32.134 1.00 34.00 C +ATOM 4532 CG1 VAL A 583 68.382 33.069 32.957 1.00 35.09 C +ATOM 4533 CG2 VAL A 583 67.772 35.531 32.876 1.00 35.47 C +ATOM 4534 N GLY A 584 67.761 32.173 29.928 1.00 32.23 N +ATOM 4535 CA GLY A 584 66.998 31.337 29.014 1.00 30.66 C +ATOM 4536 C GLY A 584 67.561 31.302 27.613 1.00 30.10 C +ATOM 4537 O GLY A 584 67.150 30.478 26.806 1.00 31.07 O +ATOM 4538 N HIS A 585 68.443 32.239 27.291 1.00 29.43 N +ATOM 4539 CA HIS A 585 69.089 32.270 25.994 1.00 30.00 C +ATOM 4540 C HIS A 585 70.561 32.580 26.213 1.00 29.33 C +ATOM 4541 O HIS A 585 70.898 33.484 26.973 1.00 29.86 O +ATOM 4542 CB HIS A 585 68.381 33.246 25.064 1.00 32.78 C +ATOM 4543 CG HIS A 585 67.044 32.744 24.619 1.00 36.62 C +ATOM 4544 ND1 HIS A 585 66.905 31.760 23.663 1.00 37.97 N +ATOM 4545 CD2 HIS A 585 65.800 32.974 25.104 1.00 38.39 C +ATOM 4546 CE1 HIS A 585 65.637 31.392 23.590 1.00 39.71 C +ATOM 4547 NE2 HIS A 585 64.947 32.112 24.454 1.00 40.22 N +ATOM 4548 N TYR A 586 71.442 31.800 25.594 1.00 28.38 N +ATOM 4549 CA TYR A 586 72.876 31.981 25.813 1.00 28.48 C +ATOM 4550 C TYR A 586 73.736 32.371 24.598 1.00 29.02 C +ATOM 4551 O TYR A 586 73.919 31.567 23.675 1.00 30.78 O +ATOM 4552 CB TYR A 586 73.435 30.707 26.465 1.00 26.66 C +ATOM 4553 CG TYR A 586 74.836 30.863 26.957 1.00 26.27 C +ATOM 4554 CD1 TYR A 586 75.918 30.717 26.088 1.00 25.21 C +ATOM 4555 CD2 TYR A 586 75.095 31.220 28.281 1.00 26.44 C +ATOM 4556 CE1 TYR A 586 77.226 30.933 26.518 1.00 24.46 C +ATOM 4557 CE2 TYR A 586 76.414 31.435 28.725 1.00 26.25 C +ATOM 4558 CZ TYR A 586 77.464 31.292 27.825 1.00 25.11 C +ATOM 4559 OH TYR A 586 78.748 31.549 28.220 1.00 27.61 O +ATOM 4560 N SER A 587 74.293 33.582 24.624 1.00 28.00 N +ATOM 4561 CA SER A 587 75.155 34.084 23.549 1.00 27.37 C +ATOM 4562 C SER A 587 74.538 33.964 22.144 1.00 27.25 C +ATOM 4563 O SER A 587 73.486 34.519 21.868 1.00 27.86 O +ATOM 4564 CB SER A 587 76.516 33.375 23.599 1.00 25.80 C +ATOM 4565 OG SER A 587 77.177 33.597 24.826 1.00 24.73 O +ATOM 4566 N CYS A 588 75.236 33.261 21.262 1.00 28.37 N +ATOM 4567 CA CYS A 588 74.833 32.994 19.883 1.00 29.47 C +ATOM 4568 C CYS A 588 73.381 32.522 19.742 1.00 28.46 C +ATOM 4569 O CYS A 588 72.773 32.678 18.683 1.00 28.89 O +ATOM 4570 CB CYS A 588 75.692 31.852 19.365 1.00 30.45 C +ATOM 4571 SG CYS A 588 76.302 32.016 17.750 1.00 35.11 S +ATOM 4572 N ARG A 589 72.892 31.819 20.755 1.00 26.18 N +ATOM 4573 CA ARG A 589 71.545 31.286 20.730 1.00 25.85 C +ATOM 4574 C ARG A 589 71.448 30.203 19.648 1.00 25.79 C +ATOM 4575 O ARG A 589 70.360 29.824 19.224 1.00 25.82 O +ATOM 4576 CB ARG A 589 70.537 32.401 20.479 1.00 25.93 C +ATOM 4577 CG ARG A 589 69.155 32.120 21.040 1.00 26.63 C +ATOM 4578 CD ARG A 589 68.264 33.307 20.848 1.00 26.62 C +ATOM 4579 NE ARG A 589 68.327 33.740 19.461 1.00 27.02 N +ATOM 4580 CZ ARG A 589 67.430 33.429 18.540 1.00 29.18 C +ATOM 4581 NH1 ARG A 589 66.377 32.673 18.846 1.00 30.08 N +ATOM 4582 NH2 ARG A 589 67.587 33.890 17.307 1.00 31.63 N +ATOM 4583 N SER A 590 72.608 29.659 19.287 1.00 25.46 N +ATOM 4584 CA SER A 590 72.776 28.614 18.278 1.00 24.52 C +ATOM 4585 C SER A 590 72.372 27.264 18.874 1.00 24.38 C +ATOM 4586 O SER A 590 71.847 26.359 18.200 1.00 23.24 O +ATOM 4587 CB SER A 590 74.255 28.562 17.921 1.00 25.21 C +ATOM 4588 OG SER A 590 74.458 28.204 16.575 1.00 29.39 O +ATOM 4589 N MET A 591 72.707 27.113 20.146 1.00 23.45 N +ATOM 4590 CA MET A 591 72.402 25.907 20.868 1.00 21.93 C +ATOM 4591 C MET A 591 71.060 26.173 21.487 1.00 22.34 C +ATOM 4592 O MET A 591 70.071 25.568 21.103 1.00 24.79 O +ATOM 4593 CB MET A 591 73.473 25.665 21.934 1.00 21.43 C +ATOM 4594 CG MET A 591 74.819 25.217 21.349 1.00 19.26 C +ATOM 4595 SD MET A 591 76.179 25.300 22.505 1.00 19.24 S +ATOM 4596 CE MET A 591 76.143 23.711 23.241 1.00 19.16 C +ATOM 4597 N THR A 592 71.009 27.215 22.304 1.00 21.90 N +ATOM 4598 CA THR A 592 69.801 27.610 23.013 1.00 20.43 C +ATOM 4599 C THR A 592 68.586 27.849 22.125 1.00 18.88 C +ATOM 4600 O THR A 592 67.497 27.355 22.405 1.00 18.59 O +ATOM 4601 CB THR A 592 70.113 28.810 23.958 1.00 20.90 C +ATOM 4602 OG1 THR A 592 70.294 28.331 25.297 1.00 22.20 O +ATOM 4603 CG2 THR A 592 69.015 29.799 23.965 1.00 22.26 C +ATOM 4604 N GLY A 593 68.774 28.568 21.034 1.00 18.51 N +ATOM 4605 CA GLY A 593 67.659 28.824 20.148 1.00 19.12 C +ATOM 4606 C GLY A 593 67.161 27.566 19.458 1.00 19.98 C +ATOM 4607 O GLY A 593 66.054 27.560 18.963 1.00 22.03 O +ATOM 4608 N ASN A 594 67.971 26.509 19.396 1.00 20.49 N +ATOM 4609 CA ASN A 594 67.558 25.261 18.746 1.00 19.20 C +ATOM 4610 C ASN A 594 67.014 24.284 19.789 1.00 18.58 C +ATOM 4611 O ASN A 594 66.871 23.096 19.531 1.00 18.42 O +ATOM 4612 CB ASN A 594 68.717 24.636 17.940 1.00 19.84 C +ATOM 4613 CG ASN A 594 68.910 25.284 16.546 1.00 21.19 C +ATOM 4614 OD1 ASN A 594 67.957 25.437 15.783 1.00 21.41 O +ATOM 4615 ND2 ASN A 594 70.147 25.649 16.217 1.00 20.01 N +ATOM 4616 N CYS A 595 66.707 24.799 20.975 1.00 18.27 N +ATOM 4617 CA CYS A 595 66.145 23.989 22.052 1.00 16.53 C +ATOM 4618 C CYS A 595 64.654 24.299 22.239 1.00 18.19 C +ATOM 4619 O CYS A 595 64.283 25.401 22.656 1.00 17.17 O +ATOM 4620 CB CYS A 595 66.882 24.236 23.361 1.00 14.58 C +ATOM 4621 SG CYS A 595 68.403 23.336 23.525 1.00 9.76 S +ATOM 4622 N ALA A 596 63.820 23.294 21.955 1.00 19.96 N +ATOM 4623 CA ALA A 596 62.362 23.350 22.052 1.00 18.88 C +ATOM 4624 C ALA A 596 61.800 24.178 23.208 1.00 20.02 C +ATOM 4625 O ALA A 596 61.115 25.166 22.975 1.00 21.42 O +ATOM 4626 CB ALA A 596 61.824 21.964 22.124 1.00 18.85 C +ATOM 4627 N ALA A 597 62.086 23.807 24.454 1.00 19.41 N +ATOM 4628 CA ALA A 597 61.536 24.581 25.562 1.00 18.84 C +ATOM 4629 C ALA A 597 62.079 26.014 25.734 1.00 19.36 C +ATOM 4630 O ALA A 597 61.318 26.915 26.068 1.00 21.52 O +ATOM 4631 CB ALA A 597 61.628 23.808 26.846 1.00 18.61 C +ATOM 4632 N LEU A 598 63.363 26.251 25.486 1.00 18.19 N +ATOM 4633 CA LEU A 598 63.904 27.608 25.641 1.00 18.18 C +ATOM 4634 C LEU A 598 63.460 28.514 24.485 1.00 18.50 C +ATOM 4635 O LEU A 598 63.264 29.724 24.652 1.00 18.83 O +ATOM 4636 CB LEU A 598 65.438 27.603 25.701 1.00 16.28 C +ATOM 4637 CG LEU A 598 66.181 26.743 26.713 1.00 15.70 C +ATOM 4638 CD1 LEU A 598 67.660 27.010 26.531 1.00 15.89 C +ATOM 4639 CD2 LEU A 598 65.733 26.999 28.162 1.00 15.12 C +ATOM 4640 N ALA A 599 63.353 27.922 23.302 1.00 18.29 N +ATOM 4641 CA ALA A 599 62.944 28.634 22.108 1.00 17.94 C +ATOM 4642 C ALA A 599 61.537 29.187 22.349 1.00 19.74 C +ATOM 4643 O ALA A 599 61.238 30.351 22.037 1.00 18.55 O +ATOM 4644 CB ALA A 599 62.964 27.686 20.919 1.00 14.82 C +ATOM 4645 N ALA A 600 60.724 28.375 23.024 1.00 20.96 N +ATOM 4646 CA ALA A 600 59.343 28.716 23.357 1.00 21.89 C +ATOM 4647 C ALA A 600 59.121 29.864 24.372 1.00 21.54 C +ATOM 4648 O ALA A 600 57.985 30.267 24.580 1.00 20.90 O +ATOM 4649 CB ALA A 600 58.602 27.455 23.820 1.00 22.57 C +ATOM 4650 N LEU A 601 60.170 30.355 25.032 1.00 20.85 N +ATOM 4651 CA LEU A 601 60.004 31.462 25.989 1.00 20.78 C +ATOM 4652 C LEU A 601 60.483 32.783 25.379 1.00 21.19 C +ATOM 4653 O LEU A 601 60.230 33.881 25.923 1.00 19.60 O +ATOM 4654 CB LEU A 601 60.808 31.220 27.268 1.00 19.05 C +ATOM 4655 CG LEU A 601 60.635 29.951 28.079 1.00 18.58 C +ATOM 4656 CD1 LEU A 601 61.842 29.807 28.948 1.00 19.23 C +ATOM 4657 CD2 LEU A 601 59.391 29.982 28.915 1.00 18.12 C +ATOM 4658 N ALA A 602 61.228 32.669 24.281 1.00 21.72 N +ATOM 4659 CA ALA A 602 61.756 33.846 23.620 1.00 21.48 C +ATOM 4660 C ALA A 602 62.314 33.612 22.225 1.00 22.46 C +ATOM 4661 O ALA A 602 63.201 32.785 22.017 1.00 20.50 O +ATOM 4662 CB ALA A 602 62.802 34.462 24.483 1.00 22.12 C +ATOM 4663 N ASP A 603 61.749 34.329 21.265 1.00 25.37 N +ATOM 4664 CA ASP A 603 62.222 34.275 19.896 1.00 28.77 C +ATOM 4665 C ASP A 603 62.467 35.729 19.427 1.00 31.08 C +ATOM 4666 O ASP A 603 62.545 36.664 20.256 1.00 31.08 O +ATOM 4667 CB ASP A 603 61.248 33.534 18.980 1.00 30.09 C +ATOM 4668 CG ASP A 603 61.964 32.783 17.844 1.00 30.59 C +ATOM 4669 OD1 ASP A 603 63.040 33.250 17.404 1.00 30.26 O +ATOM 4670 OD2 ASP A 603 61.464 31.719 17.407 1.00 30.16 O +ATOM 4671 N GLU A 604 62.632 35.909 18.118 1.00 31.68 N +ATOM 4672 CA GLU A 604 62.917 37.209 17.524 1.00 31.36 C +ATOM 4673 C GLU A 604 61.788 38.210 17.700 1.00 32.35 C +ATOM 4674 O GLU A 604 60.616 37.808 17.792 1.00 33.43 O +ATOM 4675 CB GLU A 604 63.226 37.015 16.056 1.00 30.42 C +ATOM 4676 CG GLU A 604 64.361 36.048 15.845 1.00 32.32 C +ATOM 4677 CD GLU A 604 65.717 36.624 16.202 1.00 33.77 C +ATOM 4678 OE1 GLU A 604 65.785 37.767 16.693 1.00 34.70 O +ATOM 4679 OE2 GLU A 604 66.733 35.941 15.961 1.00 35.45 O +ATOM 4680 N PRO A 605 62.112 39.525 17.681 1.00 31.80 N +ATOM 4681 CA PRO A 605 63.435 40.151 17.510 1.00 31.71 C +ATOM 4682 C PRO A 605 64.261 40.373 18.786 1.00 31.49 C +ATOM 4683 O PRO A 605 65.477 40.543 18.726 1.00 32.79 O +ATOM 4684 CB PRO A 605 63.106 41.509 16.884 1.00 30.82 C +ATOM 4685 CG PRO A 605 61.581 41.529 16.742 1.00 31.17 C +ATOM 4686 CD PRO A 605 61.077 40.567 17.743 1.00 31.17 C +ATOM 4687 N GLY A 606 63.596 40.409 19.929 1.00 30.34 N +ATOM 4688 CA GLY A 606 64.290 40.650 21.177 1.00 28.41 C +ATOM 4689 C GLY A 606 63.561 41.790 21.847 1.00 27.50 C +ATOM 4690 O GLY A 606 62.586 42.285 21.289 1.00 28.31 O +ATOM 4691 N TYR A 607 64.020 42.206 23.024 1.00 26.90 N +ATOM 4692 CA TYR A 607 63.399 43.293 23.774 1.00 26.53 C +ATOM 4693 C TYR A 607 64.391 44.374 24.089 1.00 27.53 C +ATOM 4694 O TYR A 607 65.563 44.099 24.321 1.00 27.24 O +ATOM 4695 CB TYR A 607 62.857 42.805 25.117 1.00 25.64 C +ATOM 4696 CG TYR A 607 61.499 42.167 25.080 1.00 24.41 C +ATOM 4697 CD1 TYR A 607 60.347 42.950 25.087 1.00 25.14 C +ATOM 4698 CD2 TYR A 607 61.359 40.788 25.119 1.00 21.21 C +ATOM 4699 CE1 TYR A 607 59.088 42.372 25.145 1.00 24.16 C +ATOM 4700 CE2 TYR A 607 60.118 40.205 25.176 1.00 20.85 C +ATOM 4701 CZ TYR A 607 58.981 40.995 25.196 1.00 22.78 C +ATOM 4702 OH TYR A 607 57.738 40.405 25.307 1.00 22.49 O +ATOM 4703 N ALA A 608 63.897 45.602 24.151 1.00 30.05 N +ATOM 4704 CA ALA A 608 64.716 46.752 24.499 1.00 31.71 C +ATOM 4705 C ALA A 608 64.100 47.260 25.803 1.00 32.55 C +ATOM 4706 O ALA A 608 62.908 47.596 25.843 1.00 32.54 O +ATOM 4707 CB ALA A 608 64.644 47.817 23.403 1.00 31.78 C +ATOM 4708 N GLN A 609 64.880 47.192 26.881 1.00 33.33 N +ATOM 4709 CA GLN A 609 64.443 47.635 28.203 1.00 33.96 C +ATOM 4710 C GLN A 609 64.344 49.151 28.235 1.00 34.35 C +ATOM 4711 O GLN A 609 65.363 49.839 28.265 1.00 32.82 O +ATOM 4712 CB GLN A 609 65.439 47.200 29.269 1.00 34.60 C +ATOM 4713 CG GLN A 609 65.460 45.734 29.583 1.00 35.10 C +ATOM 4714 CD GLN A 609 66.338 45.449 30.787 1.00 35.93 C +ATOM 4715 OE1 GLN A 609 67.456 44.963 30.648 1.00 38.38 O +ATOM 4716 NE2 GLN A 609 65.848 45.784 31.976 1.00 35.34 N +ATOM 4717 N ILE A 610 63.116 49.660 28.262 1.00 35.81 N +ATOM 4718 CA ILE A 610 62.887 51.096 28.264 1.00 36.89 C +ATOM 4719 C ILE A 610 62.280 51.513 29.599 1.00 39.17 C +ATOM 4720 O ILE A 610 61.476 50.784 30.186 1.00 39.30 O +ATOM 4721 CB ILE A 610 62.027 51.539 27.029 1.00 35.53 C +ATOM 4722 CG1 ILE A 610 62.609 50.908 25.749 1.00 33.30 C +ATOM 4723 CG2 ILE A 610 62.066 53.063 26.864 1.00 33.98 C +ATOM 4724 CD1 ILE A 610 62.039 51.410 24.459 1.00 30.26 C +ATOM 4725 N ASN A 611 62.736 52.653 30.107 1.00 41.11 N +ATOM 4726 CA ASN A 611 62.296 53.171 31.389 1.00 44.58 C +ATOM 4727 C ASN A 611 60.859 53.663 31.432 1.00 48.53 C +ATOM 4728 O ASN A 611 60.444 54.442 30.576 1.00 49.37 O +ATOM 4729 CB ASN A 611 63.223 54.290 31.824 1.00 43.16 C +ATOM 4730 CG ASN A 611 62.737 54.983 33.059 1.00 42.25 C +ATOM 4731 OD1 ASN A 611 62.071 56.015 32.988 1.00 41.64 O +ATOM 4732 ND2 ASN A 611 63.046 54.411 34.206 1.00 42.25 N +ATOM 4733 N THR A 612 60.138 53.260 32.481 1.00 52.61 N +ATOM 4734 CA THR A 612 58.730 53.628 32.705 1.00 56.13 C +ATOM 4735 C THR A 612 58.496 55.121 32.520 1.00 59.05 C +ATOM 4736 O THR A 612 58.033 55.583 31.465 1.00 58.31 O +ATOM 4737 CB THR A 612 58.297 53.316 34.167 1.00 55.86 C +ATOM 4738 OG1 THR A 612 58.635 51.971 34.504 1.00 56.20 O +ATOM 4739 CG2 THR A 612 56.814 53.538 34.359 1.00 55.13 C +ATOM 4740 N GLU A 613 58.848 55.850 33.580 1.00 62.80 N +ATOM 4741 CA GLU A 613 58.704 57.289 33.670 1.00 65.54 C +ATOM 4742 C GLU A 613 58.954 57.987 32.332 1.00 66.35 C +ATOM 4743 O GLU A 613 58.044 58.625 31.801 1.00 67.26 O +ATOM 4744 CB GLU A 613 59.614 57.847 34.792 1.00 67.09 C +ATOM 4745 CG GLU A 613 58.942 58.054 36.188 1.00 68.34 C +ATOM 4746 CD GLU A 613 59.831 58.815 37.222 1.00 68.53 C +ATOM 4747 OE1 GLU A 613 60.823 59.475 36.828 1.00 67.83 O +ATOM 4748 OE2 GLU A 613 59.524 58.759 38.439 1.00 67.01 O +ATOM 4749 N ASP A 614 60.121 57.774 31.728 1.00 66.83 N +ATOM 4750 CA ASP A 614 60.418 58.446 30.466 1.00 67.82 C +ATOM 4751 C ASP A 614 59.851 57.831 29.197 1.00 68.37 C +ATOM 4752 O ASP A 614 59.895 58.458 28.139 1.00 68.63 O +ATOM 4753 CB ASP A 614 61.918 58.711 30.306 1.00 68.49 C +ATOM 4754 CG ASP A 614 62.664 57.565 29.644 1.00 69.29 C +ATOM 4755 OD1 ASP A 614 62.508 57.361 28.417 1.00 68.49 O +ATOM 4756 OD2 ASP A 614 63.452 56.900 30.349 1.00 70.24 O +ATOM 4757 N ALA A 615 59.383 56.593 29.264 1.00 68.88 N +ATOM 4758 CA ALA A 615 58.805 55.974 28.075 1.00 69.13 C +ATOM 4759 C ALA A 615 57.445 56.628 27.819 1.00 69.12 C +ATOM 4760 O ALA A 615 57.071 56.896 26.665 1.00 69.19 O +ATOM 4761 CB ALA A 615 58.644 54.487 28.272 1.00 69.45 C +ATOM 4762 N LYS A 616 56.733 56.924 28.910 1.00 68.28 N +ATOM 4763 CA LYS A 616 55.416 57.570 28.851 1.00 66.60 C +ATOM 4764 C LYS A 616 55.511 58.904 28.106 1.00 66.20 C +ATOM 4765 O LYS A 616 54.506 59.432 27.628 1.00 66.39 O +ATOM 4766 CB LYS A 616 54.873 57.842 30.266 1.00 64.54 C +ATOM 4767 CG LYS A 616 54.639 56.624 31.156 1.00 61.39 C +ATOM 4768 CD LYS A 616 54.348 57.100 32.580 1.00 59.35 C +ATOM 4769 CE LYS A 616 54.213 55.954 33.577 1.00 58.14 C +ATOM 4770 NZ LYS A 616 54.259 56.413 35.008 1.00 55.25 N +ATOM 4771 N ARG A 617 56.723 59.432 27.993 1.00 65.56 N +ATOM 4772 CA ARG A 617 56.949 60.710 27.335 1.00 65.66 C +ATOM 4773 C ARG A 617 57.792 60.518 26.062 1.00 64.16 C +ATOM 4774 O ARG A 617 58.414 61.450 25.541 1.00 63.22 O +ATOM 4775 CB ARG A 617 57.625 61.644 28.341 1.00 67.57 C +ATOM 4776 CG ARG A 617 57.766 63.082 27.905 1.00 71.38 C +ATOM 4777 CD ARG A 617 59.168 63.585 28.228 1.00 74.44 C +ATOM 4778 NE ARG A 617 60.198 62.636 27.797 1.00 75.88 N +ATOM 4779 CZ ARG A 617 60.838 61.808 28.620 1.00 77.20 C +ATOM 4780 NH1 ARG A 617 60.556 61.806 29.924 1.00 77.39 N +ATOM 4781 NH2 ARG A 617 61.783 61.004 28.146 1.00 77.72 N +ATOM 4782 N LEU A 618 57.765 59.293 25.554 1.00 63.01 N +ATOM 4783 CA LEU A 618 58.505 58.909 24.353 1.00 61.58 C +ATOM 4784 C LEU A 618 57.543 58.364 23.294 1.00 60.49 C +ATOM 4785 O LEU A 618 57.851 58.345 22.094 1.00 59.64 O +ATOM 4786 CB LEU A 618 59.547 57.839 24.714 1.00 61.71 C +ATOM 4787 CG LEU A 618 61.022 58.228 24.874 1.00 61.09 C +ATOM 4788 CD1 LEU A 618 61.785 58.131 23.543 1.00 59.97 C +ATOM 4789 CD2 LEU A 618 61.109 59.616 25.465 1.00 61.67 C +ATOM 4790 N GLY A 619 56.381 57.909 23.758 1.00 59.59 N +ATOM 4791 CA GLY A 619 55.374 57.369 22.861 1.00 58.56 C +ATOM 4792 C GLY A 619 55.668 55.929 22.507 1.00 57.37 C +ATOM 4793 O GLY A 619 55.488 55.507 21.362 1.00 58.06 O +ATOM 4794 N ILE A 620 56.111 55.171 23.502 1.00 55.19 N +ATOM 4795 CA ILE A 620 56.449 53.773 23.311 1.00 54.04 C +ATOM 4796 C ILE A 620 55.855 53.017 24.500 1.00 54.07 C +ATOM 4797 O ILE A 620 55.955 53.486 25.639 1.00 54.86 O +ATOM 4798 CB ILE A 620 57.999 53.597 23.309 1.00 54.28 C +ATOM 4799 CG1 ILE A 620 58.633 54.547 22.288 1.00 54.06 C +ATOM 4800 CG2 ILE A 620 58.392 52.150 22.987 1.00 52.35 C +ATOM 4801 CD1 ILE A 620 60.101 54.854 22.548 1.00 54.24 C +ATOM 4802 N GLU A 621 55.181 51.895 24.240 1.00 52.81 N +ATOM 4803 CA GLU A 621 54.610 51.090 25.325 1.00 50.84 C +ATOM 4804 C GLU A 621 55.050 49.644 25.186 1.00 48.40 C +ATOM 4805 O GLU A 621 55.555 49.229 24.141 1.00 47.52 O +ATOM 4806 CB GLU A 621 53.070 51.161 25.362 1.00 52.69 C +ATOM 4807 CG GLU A 621 52.445 51.786 26.658 1.00 53.48 C +ATOM 4808 CD GLU A 621 52.533 50.913 27.934 1.00 52.89 C +ATOM 4809 OE1 GLU A 621 53.653 50.565 28.367 1.00 53.28 O +ATOM 4810 OE2 GLU A 621 51.474 50.615 28.534 1.00 51.74 O +ATOM 4811 N ASP A 622 54.876 48.905 26.274 1.00 46.37 N +ATOM 4812 CA ASP A 622 55.213 47.492 26.378 1.00 44.77 C +ATOM 4813 C ASP A 622 54.781 46.759 25.089 1.00 42.88 C +ATOM 4814 O ASP A 622 53.788 47.128 24.468 1.00 42.55 O +ATOM 4815 CB ASP A 622 54.463 46.920 27.603 1.00 45.41 C +ATOM 4816 CG ASP A 622 55.211 45.782 28.310 1.00 47.61 C +ATOM 4817 OD1 ASP A 622 56.273 45.328 27.831 1.00 48.61 O +ATOM 4818 OD2 ASP A 622 54.721 45.332 29.372 1.00 47.77 O +ATOM 4819 N GLU A 623 55.579 45.782 24.664 1.00 40.52 N +ATOM 4820 CA GLU A 623 55.307 44.952 23.487 1.00 38.00 C +ATOM 4821 C GLU A 623 55.262 45.597 22.104 1.00 37.21 C +ATOM 4822 O GLU A 623 54.965 44.931 21.115 1.00 37.21 O +ATOM 4823 CB GLU A 623 54.041 44.134 23.707 1.00 37.07 C +ATOM 4824 CG GLU A 623 54.021 43.424 25.045 1.00 37.06 C +ATOM 4825 CD GLU A 623 55.313 42.719 25.343 1.00 36.37 C +ATOM 4826 OE1 GLU A 623 55.769 41.929 24.494 1.00 37.13 O +ATOM 4827 OE2 GLU A 623 55.881 42.964 26.422 1.00 37.11 O +ATOM 4828 N ALA A 624 55.629 46.862 22.012 1.00 35.99 N +ATOM 4829 CA ALA A 624 55.596 47.535 20.732 1.00 34.23 C +ATOM 4830 C ALA A 624 56.920 47.448 19.996 1.00 34.28 C +ATOM 4831 O ALA A 624 57.992 47.603 20.601 1.00 33.55 O +ATOM 4832 CB ALA A 624 55.206 48.985 20.932 1.00 34.87 C +ATOM 4833 N LEU A 625 56.847 47.184 18.692 1.00 33.70 N +ATOM 4834 CA LEU A 625 58.047 47.125 17.863 1.00 33.19 C +ATOM 4835 C LEU A 625 58.546 48.549 17.728 1.00 33.70 C +ATOM 4836 O LEU A 625 57.767 49.467 17.479 1.00 35.82 O +ATOM 4837 CB LEU A 625 57.744 46.503 16.506 1.00 32.45 C +ATOM 4838 CG LEU A 625 57.515 44.988 16.593 1.00 32.59 C +ATOM 4839 CD1 LEU A 625 57.312 44.405 15.214 1.00 32.06 C +ATOM 4840 CD2 LEU A 625 58.705 44.324 17.274 1.00 31.81 C +ATOM 4841 N VAL A 626 59.846 48.731 17.880 1.00 33.80 N +ATOM 4842 CA VAL A 626 60.470 50.045 17.861 1.00 33.01 C +ATOM 4843 C VAL A 626 61.792 50.003 17.052 1.00 34.32 C +ATOM 4844 O VAL A 626 62.288 48.927 16.687 1.00 34.44 O +ATOM 4845 CB VAL A 626 60.686 50.477 19.362 1.00 30.48 C +ATOM 4846 CG1 VAL A 626 61.887 49.789 19.966 1.00 28.85 C +ATOM 4847 CG2 VAL A 626 60.786 51.951 19.512 1.00 30.53 C +ATOM 4848 N TRP A 627 62.318 51.164 16.691 1.00 36.57 N +ATOM 4849 CA TRP A 627 63.576 51.219 15.945 1.00 39.36 C +ATOM 4850 C TRP A 627 64.723 51.798 16.784 1.00 39.29 C +ATOM 4851 O TRP A 627 64.521 52.694 17.615 1.00 40.74 O +ATOM 4852 CB TRP A 627 63.436 52.020 14.647 1.00 40.27 C +ATOM 4853 CG TRP A 627 62.754 51.271 13.559 1.00 42.07 C +ATOM 4854 CD1 TRP A 627 61.432 51.344 13.220 1.00 42.26 C +ATOM 4855 CD2 TRP A 627 63.348 50.325 12.655 1.00 42.28 C +ATOM 4856 NE1 TRP A 627 61.163 50.501 12.165 1.00 42.74 N +ATOM 4857 CE2 TRP A 627 62.321 49.865 11.796 1.00 42.12 C +ATOM 4858 CE3 TRP A 627 64.645 49.823 12.485 1.00 42.94 C +ATOM 4859 CZ2 TRP A 627 62.551 48.929 10.786 1.00 41.62 C +ATOM 4860 CZ3 TRP A 627 64.875 48.884 11.470 1.00 42.23 C +ATOM 4861 CH2 TRP A 627 63.831 48.451 10.639 1.00 42.03 C +ATOM 4862 N VAL A 628 65.927 51.306 16.526 1.00 38.53 N +ATOM 4863 CA VAL A 628 67.109 51.756 17.250 1.00 36.83 C +ATOM 4864 C VAL A 628 68.099 52.163 16.180 1.00 35.81 C +ATOM 4865 O VAL A 628 68.548 51.329 15.408 1.00 32.95 O +ATOM 4866 CB VAL A 628 67.759 50.631 18.084 1.00 37.46 C +ATOM 4867 CG1 VAL A 628 68.558 51.239 19.243 1.00 37.48 C +ATOM 4868 CG2 VAL A 628 66.717 49.679 18.597 1.00 36.72 C +ATOM 4869 N HIS A 629 68.412 53.449 16.114 1.00 35.84 N +ATOM 4870 CA HIS A 629 69.336 53.950 15.109 1.00 35.56 C +ATOM 4871 C HIS A 629 70.717 54.210 15.676 1.00 34.23 C +ATOM 4872 O HIS A 629 70.860 54.423 16.888 1.00 33.37 O +ATOM 4873 CB HIS A 629 68.760 55.206 14.468 1.00 37.75 C +ATOM 4874 CG HIS A 629 67.546 54.933 13.636 1.00 39.95 C +ATOM 4875 ND1 HIS A 629 66.447 54.252 14.118 1.00 41.05 N +ATOM 4876 CD2 HIS A 629 67.271 55.226 12.344 1.00 40.42 C +ATOM 4877 CE1 HIS A 629 65.553 54.126 13.148 1.00 39.84 C +ATOM 4878 NE2 HIS A 629 66.029 54.710 12.067 1.00 40.76 N +ATOM 4879 N SER A 630 71.707 54.270 14.785 1.00 32.64 N +ATOM 4880 CA SER A 630 73.100 54.484 15.181 1.00 32.73 C +ATOM 4881 C SER A 630 74.050 54.739 13.997 1.00 31.70 C +ATOM 4882 O SER A 630 73.777 54.380 12.844 1.00 32.43 O +ATOM 4883 CB SER A 630 73.614 53.286 16.011 1.00 32.08 C +ATOM 4884 OG SER A 630 74.826 52.739 15.498 1.00 30.28 O +ATOM 4885 N ARG A 631 75.169 55.367 14.316 1.00 29.32 N +ATOM 4886 CA ARG A 631 76.205 55.650 13.348 1.00 30.23 C +ATOM 4887 C ARG A 631 76.615 54.353 12.630 1.00 30.24 C +ATOM 4888 O ARG A 631 77.055 54.371 11.473 1.00 30.83 O +ATOM 4889 CB ARG A 631 77.385 56.274 14.099 1.00 31.35 C +ATOM 4890 CG ARG A 631 76.882 57.376 15.031 1.00 32.98 C +ATOM 4891 CD ARG A 631 77.917 58.068 15.871 1.00 34.57 C +ATOM 4892 NE ARG A 631 77.262 59.109 16.660 1.00 35.40 N +ATOM 4893 CZ ARG A 631 77.878 59.940 17.491 1.00 37.16 C +ATOM 4894 NH1 ARG A 631 79.196 59.874 17.657 1.00 39.06 N +ATOM 4895 NH2 ARG A 631 77.164 60.812 18.191 1.00 37.63 N +ATOM 4896 N LYS A 632 76.480 53.235 13.334 1.00 30.05 N +ATOM 4897 CA LYS A 632 76.822 51.922 12.786 1.00 29.43 C +ATOM 4898 C LYS A 632 75.613 51.235 12.165 1.00 28.57 C +ATOM 4899 O LYS A 632 75.765 50.396 11.268 1.00 27.39 O +ATOM 4900 CB LYS A 632 77.415 51.032 13.881 1.00 29.22 C +ATOM 4901 CG LYS A 632 78.632 51.633 14.519 1.00 27.69 C +ATOM 4902 CD LYS A 632 79.706 51.796 13.482 1.00 29.45 C +ATOM 4903 CE LYS A 632 80.381 53.138 13.558 1.00 29.99 C +ATOM 4904 NZ LYS A 632 81.646 53.073 12.776 1.00 28.84 N +ATOM 4905 N GLY A 633 74.415 51.631 12.603 1.00 28.26 N +ATOM 4906 CA GLY A 633 73.214 51.013 12.067 1.00 28.39 C +ATOM 4907 C GLY A 633 71.894 51.541 12.585 1.00 28.46 C +ATOM 4908 O GLY A 633 71.784 52.665 13.078 1.00 28.42 O +ATOM 4909 N LYS A 634 70.875 50.704 12.449 1.00 29.29 N +ATOM 4910 CA LYS A 634 69.523 51.020 12.875 1.00 31.05 C +ATOM 4911 C LYS A 634 68.858 49.640 12.963 1.00 32.23 C +ATOM 4912 O LYS A 634 68.717 48.931 11.952 1.00 32.89 O +ATOM 4913 CB LYS A 634 68.843 51.936 11.840 1.00 31.84 C +ATOM 4914 CG LYS A 634 67.323 51.814 11.748 1.00 32.80 C +ATOM 4915 CD LYS A 634 66.785 52.443 10.473 1.00 32.56 C +ATOM 4916 CE LYS A 634 65.254 52.470 10.479 1.00 32.43 C +ATOM 4917 NZ LYS A 634 64.699 53.542 9.591 1.00 32.95 N +ATOM 4918 N ILE A 635 68.630 49.200 14.201 1.00 32.64 N +ATOM 4919 CA ILE A 635 68.044 47.897 14.494 1.00 30.92 C +ATOM 4920 C ILE A 635 66.553 47.971 14.886 1.00 30.81 C +ATOM 4921 O ILE A 635 66.061 49.030 15.288 1.00 28.57 O +ATOM 4922 CB ILE A 635 68.929 47.183 15.571 1.00 29.51 C +ATOM 4923 CG1 ILE A 635 70.004 46.371 14.878 1.00 29.98 C +ATOM 4924 CG2 ILE A 635 68.124 46.335 16.526 1.00 28.89 C +ATOM 4925 CD1 ILE A 635 69.453 45.453 13.817 1.00 31.30 C +ATOM 4926 N ILE A 636 65.843 46.862 14.682 1.00 30.82 N +ATOM 4927 CA ILE A 636 64.426 46.769 15.026 1.00 31.80 C +ATOM 4928 C ILE A 636 64.350 45.854 16.243 1.00 32.05 C +ATOM 4929 O ILE A 636 65.105 44.876 16.312 1.00 30.59 O +ATOM 4930 CB ILE A 636 63.601 46.165 13.839 1.00 31.81 C +ATOM 4931 CG1 ILE A 636 62.116 46.512 13.970 1.00 31.48 C +ATOM 4932 CG2 ILE A 636 63.750 44.645 13.795 1.00 33.00 C +ATOM 4933 CD1 ILE A 636 61.301 45.507 14.755 1.00 31.15 C +ATOM 4934 N THR A 637 63.524 46.228 17.228 1.00 32.28 N +ATOM 4935 CA THR A 637 63.322 45.423 18.448 1.00 32.68 C +ATOM 4936 C THR A 637 61.970 45.693 19.054 1.00 33.05 C +ATOM 4937 O THR A 637 61.275 46.604 18.633 1.00 32.70 O +ATOM 4938 CB THR A 637 64.307 45.745 19.560 1.00 31.42 C +ATOM 4939 OG1 THR A 637 64.347 47.157 19.759 1.00 33.38 O +ATOM 4940 CG2 THR A 637 65.651 45.220 19.234 1.00 31.12 C +ATOM 4941 N ARG A 638 61.577 44.858 20.008 1.00 34.96 N +ATOM 4942 CA ARG A 638 60.309 45.039 20.702 1.00 36.14 C +ATOM 4943 C ARG A 638 60.642 45.733 22.007 1.00 37.28 C +ATOM 4944 O ARG A 638 61.638 45.412 22.657 1.00 37.74 O +ATOM 4945 CB ARG A 638 59.632 43.699 20.977 1.00 35.95 C +ATOM 4946 CG ARG A 638 58.539 43.775 22.032 1.00 34.72 C +ATOM 4947 CD ARG A 638 57.520 42.677 21.855 1.00 34.34 C +ATOM 4948 NE ARG A 638 56.760 42.853 20.621 1.00 34.77 N +ATOM 4949 CZ ARG A 638 57.018 42.212 19.489 1.00 34.92 C +ATOM 4950 NH1 ARG A 638 58.016 41.344 19.434 1.00 37.16 N +ATOM 4951 NH2 ARG A 638 56.306 42.461 18.402 1.00 34.89 N +ATOM 4952 N ALA A 639 59.842 46.723 22.363 1.00 37.68 N +ATOM 4953 CA ALA A 639 60.076 47.460 23.587 1.00 37.67 C +ATOM 4954 C ALA A 639 59.567 46.676 24.786 1.00 38.44 C +ATOM 4955 O ALA A 639 58.910 45.636 24.647 1.00 38.78 O +ATOM 4956 CB ALA A 639 59.373 48.789 23.510 1.00 38.54 C +ATOM 4957 N GLN A 640 59.936 47.140 25.968 1.00 38.38 N +ATOM 4958 CA GLN A 640 59.466 46.537 27.198 1.00 39.14 C +ATOM 4959 C GLN A 640 59.702 47.563 28.256 1.00 38.50 C +ATOM 4960 O GLN A 640 60.781 47.641 28.852 1.00 37.93 O +ATOM 4961 CB GLN A 640 60.147 45.213 27.555 1.00 41.08 C +ATOM 4962 CG GLN A 640 59.360 44.453 28.619 1.00 43.02 C +ATOM 4963 CD GLN A 640 59.856 43.046 28.836 1.00 46.83 C +ATOM 4964 OE1 GLN A 640 59.163 42.064 28.527 1.00 48.51 O +ATOM 4965 NE2 GLN A 640 61.052 42.927 29.402 1.00 47.36 N +ATOM 4966 N VAL A 641 58.707 48.432 28.382 1.00 38.67 N +ATOM 4967 CA VAL A 641 58.737 49.517 29.341 1.00 37.07 C +ATOM 4968 C VAL A 641 58.566 48.933 30.735 1.00 36.50 C +ATOM 4969 O VAL A 641 57.767 48.023 30.943 1.00 35.96 O +ATOM 4970 CB VAL A 641 57.652 50.562 29.027 1.00 35.04 C +ATOM 4971 CG1 VAL A 641 57.792 51.731 29.957 1.00 35.62 C +ATOM 4972 CG2 VAL A 641 57.792 51.039 27.592 1.00 34.45 C +ATOM 4973 N SER A 642 59.400 49.399 31.656 1.00 36.49 N +ATOM 4974 CA SER A 642 59.372 48.945 33.032 1.00 36.92 C +ATOM 4975 C SER A 642 60.189 49.914 33.846 1.00 37.01 C +ATOM 4976 O SER A 642 60.838 50.808 33.304 1.00 36.61 O +ATOM 4977 CB SER A 642 59.989 47.554 33.155 1.00 38.04 C +ATOM 4978 OG SER A 642 61.392 47.587 32.922 1.00 39.87 O +ATOM 4979 N ASP A 643 60.123 49.752 35.160 1.00 39.11 N +ATOM 4980 CA ASP A 643 60.850 50.599 36.110 1.00 40.62 C +ATOM 4981 C ASP A 643 62.240 50.080 36.433 1.00 40.18 C +ATOM 4982 O ASP A 643 62.873 50.569 37.362 1.00 41.01 O +ATOM 4983 CB ASP A 643 60.071 50.715 37.425 1.00 41.38 C +ATOM 4984 CG ASP A 643 58.991 51.751 37.363 1.00 42.14 C +ATOM 4985 OD1 ASP A 643 59.322 52.948 37.357 1.00 44.88 O +ATOM 4986 OD2 ASP A 643 57.808 51.380 37.300 1.00 45.47 O +ATOM 4987 N ARG A 644 62.684 49.054 35.720 1.00 39.40 N +ATOM 4988 CA ARG A 644 63.998 48.494 35.981 1.00 38.19 C +ATOM 4989 C ARG A 644 65.151 49.241 35.274 1.00 36.62 C +ATOM 4990 O ARG A 644 66.147 49.606 35.913 1.00 35.67 O +ATOM 4991 CB ARG A 644 63.973 46.987 35.736 1.00 38.48 C +ATOM 4992 CG ARG A 644 63.175 46.247 36.813 1.00 38.21 C +ATOM 4993 CD ARG A 644 63.101 44.756 36.553 1.00 41.39 C +ATOM 4994 NE ARG A 644 62.998 43.966 37.786 1.00 43.97 N +ATOM 4995 CZ ARG A 644 63.905 43.065 38.184 1.00 44.56 C +ATOM 4996 NH1 ARG A 644 64.997 42.835 37.452 1.00 43.04 N +ATOM 4997 NH2 ARG A 644 63.710 42.370 39.304 1.00 43.68 N +ATOM 4998 N PRO A 645 65.039 49.483 33.957 1.00 34.58 N +ATOM 4999 CA PRO A 645 66.142 50.207 33.331 1.00 33.90 C +ATOM 5000 C PRO A 645 66.172 51.617 33.911 1.00 33.94 C +ATOM 5001 O PRO A 645 65.132 52.181 34.252 1.00 35.04 O +ATOM 5002 CB PRO A 645 65.767 50.200 31.845 1.00 32.74 C +ATOM 5003 CG PRO A 645 64.315 50.127 31.864 1.00 33.97 C +ATOM 5004 CD PRO A 645 64.027 49.124 32.956 1.00 34.62 C +ATOM 5005 N ASN A 646 67.372 52.160 34.054 1.00 33.66 N +ATOM 5006 CA ASN A 646 67.585 53.481 34.605 1.00 32.35 C +ATOM 5007 C ASN A 646 67.208 54.509 33.562 1.00 32.96 C +ATOM 5008 O ASN A 646 67.709 54.480 32.432 1.00 32.85 O +ATOM 5009 CB ASN A 646 69.051 53.648 34.939 1.00 32.71 C +ATOM 5010 CG ASN A 646 69.914 53.558 33.710 1.00 34.42 C +ATOM 5011 OD1 ASN A 646 69.942 52.524 33.051 1.00 36.03 O +ATOM 5012 ND2 ASN A 646 70.548 54.663 33.338 1.00 32.78 N +ATOM 5013 N LYS A 647 66.356 55.443 33.971 1.00 33.98 N +ATOM 5014 CA LYS A 647 65.866 56.514 33.115 1.00 34.07 C +ATOM 5015 C LYS A 647 67.054 57.140 32.458 1.00 31.86 C +ATOM 5016 O LYS A 647 67.961 57.564 33.144 1.00 32.14 O +ATOM 5017 CB LYS A 647 65.124 57.547 33.968 1.00 37.74 C +ATOM 5018 CG LYS A 647 64.252 58.564 33.197 1.00 40.33 C +ATOM 5019 CD LYS A 647 63.075 59.020 34.067 1.00 40.85 C +ATOM 5020 CE LYS A 647 62.222 60.037 33.346 1.00 42.76 C +ATOM 5021 NZ LYS A 647 60.891 60.309 34.004 1.00 41.95 N +ATOM 5022 N GLY A 648 67.080 57.114 31.130 1.00 31.19 N +ATOM 5023 CA GLY A 648 68.199 57.684 30.397 1.00 30.20 C +ATOM 5024 C GLY A 648 68.933 56.661 29.550 1.00 30.33 C +ATOM 5025 O GLY A 648 69.557 57.009 28.546 1.00 30.62 O +ATOM 5026 N ALA A 649 68.860 55.392 29.949 1.00 30.49 N +ATOM 5027 CA ALA A 649 69.514 54.321 29.214 1.00 28.91 C +ATOM 5028 C ALA A 649 68.522 53.237 28.852 1.00 28.72 C +ATOM 5029 O ALA A 649 67.455 53.129 29.461 1.00 29.40 O +ATOM 5030 CB ALA A 649 70.623 53.724 30.040 1.00 30.17 C +ATOM 5031 N ILE A 650 68.859 52.472 27.823 1.00 27.51 N +ATOM 5032 CA ILE A 650 68.043 51.354 27.383 1.00 27.09 C +ATOM 5033 C ILE A 650 68.972 50.134 27.440 1.00 27.45 C +ATOM 5034 O ILE A 650 70.190 50.285 27.658 1.00 28.36 O +ATOM 5035 CB ILE A 650 67.465 51.547 25.955 1.00 26.06 C +ATOM 5036 CG1 ILE A 650 68.562 51.616 24.913 1.00 24.58 C +ATOM 5037 CG2 ILE A 650 66.617 52.800 25.894 1.00 28.18 C +ATOM 5038 CD1 ILE A 650 68.010 51.678 23.514 1.00 24.48 C +ATOM 5039 N TYR A 651 68.413 48.935 27.296 1.00 25.48 N +ATOM 5040 CA TYR A 651 69.207 47.717 27.362 1.00 23.36 C +ATOM 5041 C TYR A 651 68.794 46.723 26.309 1.00 23.65 C +ATOM 5042 O TYR A 651 67.605 46.550 26.043 1.00 24.30 O +ATOM 5043 CB TYR A 651 69.133 47.099 28.760 1.00 20.61 C +ATOM 5044 CG TYR A 651 69.775 47.990 29.786 1.00 19.76 C +ATOM 5045 CD1 TYR A 651 69.063 49.046 30.359 1.00 18.41 C +ATOM 5046 CD2 TYR A 651 71.130 47.857 30.103 1.00 19.87 C +ATOM 5047 CE1 TYR A 651 69.679 49.953 31.210 1.00 18.69 C +ATOM 5048 CE2 TYR A 651 71.762 48.767 30.959 1.00 19.22 C +ATOM 5049 CZ TYR A 651 71.028 49.815 31.505 1.00 19.89 C +ATOM 5050 OH TYR A 651 71.641 50.740 32.323 1.00 20.31 O +ATOM 5051 N MET A 652 69.788 46.100 25.687 1.00 23.67 N +ATOM 5052 CA MET A 652 69.557 45.120 24.639 1.00 24.22 C +ATOM 5053 C MET A 652 70.613 44.026 24.752 1.00 25.45 C +ATOM 5054 O MET A 652 71.661 44.247 25.356 1.00 25.35 O +ATOM 5055 CB MET A 652 69.635 45.807 23.286 1.00 23.75 C +ATOM 5056 CG MET A 652 68.447 46.684 23.002 1.00 21.47 C +ATOM 5057 SD MET A 652 68.792 47.668 21.587 1.00 23.63 S +ATOM 5058 CE MET A 652 68.364 46.574 20.229 1.00 18.18 C +ATOM 5059 N THR A 653 70.348 42.853 24.188 1.00 25.71 N +ATOM 5060 CA THR A 653 71.299 41.752 24.275 1.00 27.07 C +ATOM 5061 C THR A 653 71.843 41.387 22.897 1.00 28.60 C +ATOM 5062 O THR A 653 71.362 41.899 21.882 1.00 29.59 O +ATOM 5063 CB THR A 653 70.636 40.524 24.896 1.00 27.34 C +ATOM 5064 OG1 THR A 653 69.528 40.127 24.086 1.00 28.51 O +ATOM 5065 CG2 THR A 653 70.101 40.856 26.275 1.00 27.94 C +ATOM 5066 N TYR A 654 72.807 40.472 22.848 1.00 29.18 N +ATOM 5067 CA TYR A 654 73.398 40.066 21.570 1.00 29.40 C +ATOM 5068 C TYR A 654 72.996 38.645 21.134 1.00 30.18 C +ATOM 5069 O TYR A 654 73.582 38.077 20.209 1.00 30.31 O +ATOM 5070 CB TYR A 654 74.930 40.224 21.609 1.00 27.21 C +ATOM 5071 CG TYR A 654 75.609 39.274 22.561 1.00 26.68 C +ATOM 5072 CD1 TYR A 654 75.249 39.231 23.916 1.00 25.83 C +ATOM 5073 CD2 TYR A 654 76.532 38.333 22.091 1.00 25.07 C +ATOM 5074 CE1 TYR A 654 75.779 38.261 24.767 1.00 24.83 C +ATOM 5075 CE2 TYR A 654 77.064 37.364 22.934 1.00 22.66 C +ATOM 5076 CZ TYR A 654 76.682 37.333 24.261 1.00 24.33 C +ATOM 5077 OH TYR A 654 77.178 36.360 25.084 1.00 25.78 O +ATOM 5078 N GLN A 655 71.964 38.095 21.765 1.00 30.85 N +ATOM 5079 CA GLN A 655 71.508 36.744 21.433 1.00 32.61 C +ATOM 5080 C GLN A 655 70.536 36.684 20.246 1.00 33.46 C +ATOM 5081 O GLN A 655 70.173 35.598 19.788 1.00 33.56 O +ATOM 5082 CB GLN A 655 70.844 36.094 22.656 1.00 32.28 C +ATOM 5083 CG GLN A 655 71.750 35.972 23.879 1.00 32.91 C +ATOM 5084 CD GLN A 655 71.166 36.649 25.106 1.00 34.03 C +ATOM 5085 OE1 GLN A 655 71.739 37.592 25.637 1.00 34.51 O +ATOM 5086 NE2 GLN A 655 70.003 36.197 25.537 1.00 33.94 N +ATOM 5087 N TRP A 656 70.163 37.844 19.708 1.00 33.59 N +ATOM 5088 CA TRP A 656 69.185 37.888 18.621 1.00 31.96 C +ATOM 5089 C TRP A 656 69.707 38.134 17.213 1.00 30.95 C +ATOM 5090 O TRP A 656 70.474 39.062 16.975 1.00 31.13 O +ATOM 5091 CB TRP A 656 68.080 38.862 18.997 1.00 30.49 C +ATOM 5092 CG TRP A 656 67.532 38.490 20.321 1.00 28.34 C +ATOM 5093 CD1 TRP A 656 67.805 39.085 21.516 1.00 28.53 C +ATOM 5094 CD2 TRP A 656 66.740 37.346 20.614 1.00 27.82 C +ATOM 5095 NE1 TRP A 656 67.248 38.370 22.543 1.00 26.34 N +ATOM 5096 CE2 TRP A 656 66.585 37.293 22.017 1.00 28.09 C +ATOM 5097 CE3 TRP A 656 66.145 36.351 19.830 1.00 26.81 C +ATOM 5098 CZ2 TRP A 656 65.861 36.281 22.649 1.00 27.51 C +ATOM 5099 CZ3 TRP A 656 65.433 35.354 20.456 1.00 25.70 C +ATOM 5100 CH2 TRP A 656 65.295 35.323 21.852 1.00 26.75 C +ATOM 5101 N TRP A 657 69.258 37.292 16.285 1.00 29.61 N +ATOM 5102 CA TRP A 657 69.695 37.365 14.900 1.00 27.54 C +ATOM 5103 C TRP A 657 69.025 38.467 14.129 1.00 27.43 C +ATOM 5104 O TRP A 657 69.669 39.109 13.286 1.00 27.61 O +ATOM 5105 CB TRP A 657 69.528 36.011 14.206 1.00 25.81 C +ATOM 5106 CG TRP A 657 70.405 34.952 14.808 1.00 24.77 C +ATOM 5107 CD1 TRP A 657 71.155 35.069 15.939 1.00 24.80 C +ATOM 5108 CD2 TRP A 657 70.598 33.610 14.343 1.00 26.06 C +ATOM 5109 NE1 TRP A 657 71.793 33.892 16.218 1.00 25.70 N +ATOM 5110 CE2 TRP A 657 71.473 32.971 15.253 1.00 26.91 C +ATOM 5111 CE3 TRP A 657 70.121 32.876 13.243 1.00 25.41 C +ATOM 5112 CZ2 TRP A 657 71.879 31.633 15.108 1.00 27.42 C +ATOM 5113 CZ3 TRP A 657 70.529 31.543 13.098 1.00 24.94 C +ATOM 5114 CH2 TRP A 657 71.396 30.940 14.025 1.00 25.23 C +ATOM 5115 N ILE A 658 67.750 38.723 14.447 1.00 26.99 N +ATOM 5116 CA ILE A 658 66.985 39.783 13.776 1.00 24.25 C +ATOM 5117 C ILE A 658 67.303 41.153 14.308 1.00 22.49 C +ATOM 5118 O ILE A 658 67.705 42.030 13.575 1.00 23.25 O +ATOM 5119 CB ILE A 658 65.486 39.537 13.827 1.00 23.71 C +ATOM 5120 CG1 ILE A 658 65.165 38.315 12.973 1.00 23.90 C +ATOM 5121 CG2 ILE A 658 64.722 40.750 13.321 1.00 24.11 C +ATOM 5122 CD1 ILE A 658 65.965 38.244 11.681 1.00 22.88 C +ATOM 5123 N GLY A 659 67.116 41.363 15.588 1.00 22.90 N +ATOM 5124 CA GLY A 659 67.445 42.671 16.114 1.00 24.94 C +ATOM 5125 C GLY A 659 68.843 42.574 16.665 1.00 24.66 C +ATOM 5126 O GLY A 659 69.018 42.668 17.879 1.00 25.34 O +ATOM 5127 N ALA A 660 69.828 42.371 15.790 1.00 24.72 N +ATOM 5128 CA ALA A 660 71.212 42.214 16.227 1.00 26.10 C +ATOM 5129 C ALA A 660 71.811 43.511 16.767 1.00 27.95 C +ATOM 5130 O ALA A 660 72.316 44.344 15.997 1.00 25.78 O +ATOM 5131 CB ALA A 660 72.078 41.634 15.101 1.00 24.35 C +ATOM 5132 N CYS A 661 71.816 43.637 18.098 1.00 29.28 N +ATOM 5133 CA CYS A 661 72.328 44.828 18.754 1.00 31.74 C +ATOM 5134 C CYS A 661 73.734 45.164 18.279 1.00 34.03 C +ATOM 5135 O CYS A 661 74.056 46.337 18.066 1.00 35.55 O +ATOM 5136 CB CYS A 661 72.292 44.670 20.275 1.00 31.45 C +ATOM 5137 SG CYS A 661 73.631 43.692 20.983 1.00 31.20 S +ATOM 5138 N ASN A 662 74.545 44.133 18.039 1.00 35.98 N +ATOM 5139 CA ASN A 662 75.928 44.312 17.576 1.00 36.68 C +ATOM 5140 C ASN A 662 76.029 44.996 16.217 1.00 36.84 C +ATOM 5141 O ASN A 662 77.118 45.326 15.746 1.00 36.91 O +ATOM 5142 CB ASN A 662 76.662 42.978 17.560 1.00 36.72 C +ATOM 5143 CG ASN A 662 77.190 42.609 18.921 1.00 37.62 C +ATOM 5144 OD1 ASN A 662 77.714 43.462 19.625 1.00 38.45 O +ATOM 5145 ND2 ASN A 662 77.030 41.347 19.320 1.00 37.75 N +ATOM 5146 N GLU A 663 74.875 45.181 15.588 1.00 36.32 N +ATOM 5147 CA GLU A 663 74.774 45.846 14.299 1.00 35.91 C +ATOM 5148 C GLU A 663 75.074 47.319 14.521 1.00 34.60 C +ATOM 5149 O GLU A 663 75.645 47.985 13.667 1.00 33.79 O +ATOM 5150 CB GLU A 663 73.332 45.741 13.771 1.00 36.28 C +ATOM 5151 CG GLU A 663 73.159 44.904 12.520 1.00 35.65 C +ATOM 5152 CD GLU A 663 74.091 45.332 11.394 1.00 35.61 C +ATOM 5153 OE1 GLU A 663 74.373 46.553 11.243 1.00 34.67 O +ATOM 5154 OE2 GLU A 663 74.535 44.426 10.663 1.00 32.89 O +ATOM 5155 N LEU A 664 74.686 47.793 15.699 1.00 33.62 N +ATOM 5156 CA LEU A 664 74.815 49.180 16.079 1.00 32.71 C +ATOM 5157 C LEU A 664 76.033 49.523 16.890 1.00 34.15 C +ATOM 5158 O LEU A 664 76.358 50.703 17.029 1.00 35.43 O +ATOM 5159 CB LEU A 664 73.616 49.593 16.931 1.00 30.52 C +ATOM 5160 CG LEU A 664 72.165 49.286 16.587 1.00 26.93 C +ATOM 5161 CD1 LEU A 664 71.339 50.409 17.172 1.00 25.58 C +ATOM 5162 CD2 LEU A 664 71.953 49.224 15.107 1.00 25.83 C +ATOM 5163 N VAL A 665 76.659 48.533 17.513 1.00 34.83 N +ATOM 5164 CA VAL A 665 77.804 48.856 18.354 1.00 34.43 C +ATOM 5165 C VAL A 665 79.104 49.102 17.586 1.00 34.76 C +ATOM 5166 O VAL A 665 79.427 48.385 16.640 1.00 33.13 O +ATOM 5167 CB VAL A 665 77.976 47.836 19.547 1.00 33.47 C +ATOM 5168 CG1 VAL A 665 79.017 48.334 20.548 1.00 30.61 C +ATOM 5169 CG2 VAL A 665 76.645 47.636 20.277 1.00 31.05 C +ATOM 5170 N THR A 666 79.751 50.218 17.928 1.00 36.16 N +ATOM 5171 CA THR A 666 81.032 50.629 17.351 1.00 36.93 C +ATOM 5172 C THR A 666 82.096 49.963 18.197 1.00 37.81 C +ATOM 5173 O THR A 666 82.053 50.061 19.430 1.00 39.00 O +ATOM 5174 CB THR A 666 81.293 52.147 17.528 1.00 36.55 C +ATOM 5175 OG1 THR A 666 80.373 52.919 16.741 1.00 36.16 O +ATOM 5176 CG2 THR A 666 82.723 52.477 17.129 1.00 35.61 C +ATOM 5177 N GLU A 667 83.065 49.321 17.561 1.00 37.88 N +ATOM 5178 CA GLU A 667 84.119 48.680 18.326 1.00 38.29 C +ATOM 5179 C GLU A 667 85.092 49.727 18.851 1.00 38.24 C +ATOM 5180 O GLU A 667 85.803 50.385 18.094 1.00 39.36 O +ATOM 5181 CB GLU A 667 84.848 47.624 17.495 1.00 39.22 C +ATOM 5182 CG GLU A 667 85.226 48.056 16.081 1.00 40.64 C +ATOM 5183 CD GLU A 667 86.081 47.024 15.379 1.00 41.61 C +ATOM 5184 OE1 GLU A 667 85.520 46.114 14.719 1.00 42.27 O +ATOM 5185 OE2 GLU A 667 87.321 47.117 15.511 1.00 43.22 O +ATOM 5186 N ASN A 668 85.062 49.947 20.151 1.00 37.82 N +ATOM 5187 CA ASN A 668 85.963 50.916 20.745 1.00 37.37 C +ATOM 5188 C ASN A 668 86.914 50.034 21.498 1.00 37.51 C +ATOM 5189 O ASN A 668 86.847 49.930 22.729 1.00 39.11 O +ATOM 5190 CB ASN A 668 85.210 51.867 21.678 1.00 37.68 C +ATOM 5191 CG ASN A 668 84.198 52.727 20.932 1.00 37.79 C +ATOM 5192 OD1 ASN A 668 84.460 53.186 19.825 1.00 38.86 O +ATOM 5193 ND2 ASN A 668 83.032 52.919 21.522 1.00 37.41 N +ATOM 5194 N LEU A 669 87.688 49.281 20.716 1.00 36.21 N +ATOM 5195 CA LEU A 669 88.670 48.343 21.233 1.00 34.94 C +ATOM 5196 C LEU A 669 89.566 49.045 22.215 1.00 34.79 C +ATOM 5197 O LEU A 669 90.184 50.058 21.900 1.00 35.33 O +ATOM 5198 CB LEU A 669 89.511 47.749 20.103 1.00 33.36 C +ATOM 5199 CG LEU A 669 88.732 47.104 18.961 1.00 31.88 C +ATOM 5200 CD1 LEU A 669 89.708 46.505 17.991 1.00 31.42 C +ATOM 5201 CD2 LEU A 669 87.780 46.054 19.495 1.00 31.59 C +ATOM 5202 N SER A 670 89.581 48.533 23.431 1.00 35.92 N +ATOM 5203 CA SER A 670 90.405 49.106 24.467 1.00 36.99 C +ATOM 5204 C SER A 670 91.853 49.067 23.985 1.00 37.69 C +ATOM 5205 O SER A 670 92.309 48.082 23.401 1.00 37.55 O +ATOM 5206 CB SER A 670 90.208 48.338 25.786 1.00 37.12 C +ATOM 5207 OG SER A 670 90.029 46.942 25.577 1.00 36.39 O +ATOM 5208 N PRO A 671 92.583 50.161 24.187 1.00 38.14 N +ATOM 5209 CA PRO A 671 93.979 50.203 23.752 1.00 38.37 C +ATOM 5210 C PRO A 671 94.840 49.093 24.337 1.00 38.19 C +ATOM 5211 O PRO A 671 95.823 48.685 23.717 1.00 39.28 O +ATOM 5212 CB PRO A 671 94.447 51.585 24.231 1.00 38.44 C +ATOM 5213 CG PRO A 671 93.543 51.880 25.407 1.00 39.43 C +ATOM 5214 CD PRO A 671 92.204 51.395 24.894 1.00 38.47 C +ATOM 5215 N ILE A 672 94.453 48.565 25.496 1.00 37.67 N +ATOM 5216 CA ILE A 672 95.276 47.535 26.131 1.00 37.49 C +ATOM 5217 C ILE A 672 95.057 46.063 25.749 1.00 36.67 C +ATOM 5218 O ILE A 672 95.997 45.390 25.326 1.00 35.87 O +ATOM 5219 CB ILE A 672 95.305 47.708 27.665 1.00 36.97 C +ATOM 5220 CG1 ILE A 672 95.648 49.163 28.015 1.00 34.94 C +ATOM 5221 CG2 ILE A 672 96.362 46.784 28.261 1.00 37.01 C +ATOM 5222 CD1 ILE A 672 95.897 49.404 29.472 1.00 33.87 C +ATOM 5223 N THR A 673 93.839 45.557 25.939 1.00 36.51 N +ATOM 5224 CA THR A 673 93.511 44.164 25.605 1.00 34.14 C +ATOM 5225 C THR A 673 92.760 44.044 24.298 1.00 33.94 C +ATOM 5226 O THR A 673 92.437 42.947 23.873 1.00 34.40 O +ATOM 5227 CB THR A 673 92.617 43.541 26.656 1.00 32.41 C +ATOM 5228 OG1 THR A 673 91.503 44.409 26.893 1.00 30.73 O +ATOM 5229 CG2 THR A 673 93.380 43.333 27.926 1.00 32.49 C +ATOM 5230 N LYS A 674 92.476 45.175 23.668 1.00 34.47 N +ATOM 5231 CA LYS A 674 91.737 45.186 22.423 1.00 34.52 C +ATOM 5232 C LYS A 674 90.371 44.585 22.675 1.00 35.37 C +ATOM 5233 O LYS A 674 90.019 43.545 22.099 1.00 36.38 O +ATOM 5234 CB LYS A 674 92.485 44.397 21.355 1.00 34.53 C +ATOM 5235 CG LYS A 674 93.194 45.278 20.364 1.00 34.22 C +ATOM 5236 CD LYS A 674 94.133 46.214 21.053 1.00 34.85 C +ATOM 5237 CE LYS A 674 94.112 47.533 20.348 1.00 36.35 C +ATOM 5238 NZ LYS A 674 94.289 47.332 18.874 1.00 39.98 N +ATOM 5239 N THR A 675 89.608 45.249 23.539 1.00 34.83 N +ATOM 5240 CA THR A 675 88.272 44.796 23.904 1.00 34.26 C +ATOM 5241 C THR A 675 87.211 45.850 23.605 1.00 34.54 C +ATOM 5242 O THR A 675 87.349 47.023 23.966 1.00 34.10 O +ATOM 5243 CB THR A 675 88.202 44.435 25.389 1.00 33.76 C +ATOM 5244 OG1 THR A 675 89.302 43.580 25.722 1.00 34.95 O +ATOM 5245 CG2 THR A 675 86.901 43.722 25.703 1.00 33.59 C +ATOM 5246 N PRO A 676 86.170 45.460 22.865 1.00 35.13 N +ATOM 5247 CA PRO A 676 85.065 46.349 22.494 1.00 35.19 C +ATOM 5248 C PRO A 676 84.239 46.894 23.672 1.00 34.80 C +ATOM 5249 O PRO A 676 84.010 46.195 24.669 1.00 31.65 O +ATOM 5250 CB PRO A 676 84.233 45.480 21.550 1.00 35.26 C +ATOM 5251 CG PRO A 676 84.647 44.078 21.908 1.00 34.86 C +ATOM 5252 CD PRO A 676 86.090 44.191 22.126 1.00 34.66 C +ATOM 5253 N GLU A 677 83.794 48.150 23.529 1.00 35.21 N +ATOM 5254 CA GLU A 677 82.993 48.835 24.551 1.00 35.06 C +ATOM 5255 C GLU A 677 81.489 48.586 24.368 1.00 34.67 C +ATOM 5256 O GLU A 677 80.673 49.521 24.297 1.00 33.75 O +ATOM 5257 CB GLU A 677 83.301 50.344 24.576 1.00 35.27 C +ATOM 5258 CG GLU A 677 82.781 51.038 25.841 1.00 34.49 C +ATOM 5259 CD GLU A 677 83.307 52.440 26.013 1.00 34.12 C +ATOM 5260 OE1 GLU A 677 82.988 53.277 25.147 1.00 35.83 O +ATOM 5261 OE2 GLU A 677 84.011 52.718 27.018 1.00 32.51 O +ATOM 5262 N TYR A 678 81.147 47.300 24.361 1.00 33.87 N +ATOM 5263 CA TYR A 678 79.787 46.815 24.192 1.00 32.54 C +ATOM 5264 C TYR A 678 78.767 47.402 25.182 1.00 33.08 C +ATOM 5265 O TYR A 678 77.565 47.302 24.943 1.00 32.93 O +ATOM 5266 CB TYR A 678 79.767 45.296 24.367 1.00 31.33 C +ATOM 5267 CG TYR A 678 80.519 44.441 23.354 1.00 29.91 C +ATOM 5268 CD1 TYR A 678 80.068 44.306 22.029 1.00 28.72 C +ATOM 5269 CD2 TYR A 678 81.571 43.629 23.773 1.00 28.98 C +ATOM 5270 CE1 TYR A 678 80.630 43.373 21.162 1.00 27.83 C +ATOM 5271 CE2 TYR A 678 82.141 42.691 22.926 1.00 29.08 C +ATOM 5272 CZ TYR A 678 81.669 42.553 21.620 1.00 29.78 C +ATOM 5273 OH TYR A 678 82.208 41.549 20.827 1.00 27.11 O +ATOM 5274 N LYS A 679 79.232 47.990 26.286 1.00 33.33 N +ATOM 5275 CA LYS A 679 78.338 48.541 27.315 1.00 34.12 C +ATOM 5276 C LYS A 679 77.892 50.001 27.186 1.00 34.98 C +ATOM 5277 O LYS A 679 77.162 50.507 28.048 1.00 35.37 O +ATOM 5278 CB LYS A 679 78.948 48.348 28.712 1.00 34.32 C +ATOM 5279 CG LYS A 679 78.949 46.918 29.239 1.00 33.60 C +ATOM 5280 CD LYS A 679 77.603 46.527 29.798 1.00 33.47 C +ATOM 5281 CE LYS A 679 77.577 45.052 30.171 1.00 33.04 C +ATOM 5282 NZ LYS A 679 77.866 44.178 29.002 1.00 32.84 N +ATOM 5283 N TYR A 680 78.325 50.691 26.140 1.00 35.76 N +ATOM 5284 CA TYR A 680 77.942 52.087 25.974 1.00 35.16 C +ATOM 5285 C TYR A 680 77.836 52.388 24.490 1.00 35.33 C +ATOM 5286 O TYR A 680 78.831 52.353 23.763 1.00 35.12 O +ATOM 5287 CB TYR A 680 78.986 53.002 26.638 1.00 34.23 C +ATOM 5288 CG TYR A 680 78.462 54.360 27.070 1.00 34.99 C +ATOM 5289 CD1 TYR A 680 78.290 55.402 26.149 1.00 34.53 C +ATOM 5290 CD2 TYR A 680 78.126 54.605 28.410 1.00 35.71 C +ATOM 5291 CE1 TYR A 680 77.794 56.645 26.552 1.00 34.14 C +ATOM 5292 CE2 TYR A 680 77.632 55.842 28.825 1.00 33.78 C +ATOM 5293 CZ TYR A 680 77.465 56.852 27.890 1.00 35.25 C +ATOM 5294 OH TYR A 680 76.931 58.058 28.294 1.00 38.23 O +ATOM 5295 N CYS A 681 76.618 52.613 24.020 1.00 34.88 N +ATOM 5296 CA CYS A 681 76.419 52.939 22.620 1.00 34.47 C +ATOM 5297 C CYS A 681 75.308 53.967 22.473 1.00 33.49 C +ATOM 5298 O CYS A 681 74.162 53.698 22.819 1.00 34.37 O +ATOM 5299 CB CYS A 681 76.104 51.691 21.812 1.00 33.92 C +ATOM 5300 SG CYS A 681 75.702 52.052 20.082 1.00 35.78 S +ATOM 5301 N ALA A 682 75.671 55.164 22.019 1.00 32.62 N +ATOM 5302 CA ALA A 682 74.735 56.268 21.825 1.00 30.98 C +ATOM 5303 C ALA A 682 73.727 55.887 20.752 1.00 30.38 C +ATOM 5304 O ALA A 682 74.097 55.676 19.588 1.00 31.34 O +ATOM 5305 CB ALA A 682 75.496 57.525 21.417 1.00 30.26 C +ATOM 5306 N VAL A 683 72.471 55.719 21.163 1.00 28.73 N +ATOM 5307 CA VAL A 683 71.409 55.327 20.244 1.00 28.24 C +ATOM 5308 C VAL A 683 70.201 56.211 20.452 1.00 29.74 C +ATOM 5309 O VAL A 683 70.055 56.868 21.493 1.00 29.42 O +ATOM 5310 CB VAL A 683 70.926 53.853 20.429 1.00 25.00 C +ATOM 5311 CG1 VAL A 683 72.051 52.880 20.282 1.00 22.74 C +ATOM 5312 CG2 VAL A 683 70.230 53.697 21.757 1.00 22.82 C +ATOM 5313 N ARG A 684 69.269 56.076 19.515 1.00 30.88 N +ATOM 5314 CA ARG A 684 68.049 56.845 19.498 1.00 32.25 C +ATOM 5315 C ARG A 684 66.860 55.927 19.228 1.00 33.40 C +ATOM 5316 O ARG A 684 66.742 55.336 18.132 1.00 33.53 O +ATOM 5317 CB ARG A 684 68.198 57.825 18.385 1.00 32.93 C +ATOM 5318 CG ARG A 684 67.002 58.592 18.018 1.00 37.77 C +ATOM 5319 CD ARG A 684 67.401 59.148 16.718 1.00 41.78 C +ATOM 5320 NE ARG A 684 66.604 60.279 16.310 1.00 45.62 N +ATOM 5321 CZ ARG A 684 66.391 60.555 15.036 1.00 49.41 C +ATOM 5322 NH1 ARG A 684 66.925 59.756 14.113 1.00 48.61 N +ATOM 5323 NH2 ARG A 684 65.670 61.638 14.706 1.00 52.02 N +ATOM 5324 N VAL A 685 65.979 55.804 20.219 1.00 34.27 N +ATOM 5325 CA VAL A 685 64.814 54.931 20.092 1.00 35.40 C +ATOM 5326 C VAL A 685 63.716 55.700 19.369 1.00 36.42 C +ATOM 5327 O VAL A 685 63.432 56.851 19.700 1.00 37.98 O +ATOM 5328 CB VAL A 685 64.284 54.475 21.457 1.00 35.58 C +ATOM 5329 CG1 VAL A 685 63.414 53.232 21.283 1.00 33.46 C +ATOM 5330 CG2 VAL A 685 65.431 54.220 22.429 1.00 34.55 C +ATOM 5331 N GLU A 686 63.050 55.041 18.428 1.00 36.64 N +ATOM 5332 CA GLU A 686 61.998 55.705 17.680 1.00 36.10 C +ATOM 5333 C GLU A 686 60.782 54.818 17.582 1.00 34.75 C +ATOM 5334 O GLU A 686 60.906 53.650 17.241 1.00 35.34 O +ATOM 5335 CB GLU A 686 62.516 56.030 16.311 1.00 36.43 C +ATOM 5336 CG GLU A 686 63.853 56.686 16.385 1.00 39.35 C +ATOM 5337 CD GLU A 686 64.576 56.585 15.065 1.00 43.32 C +ATOM 5338 OE1 GLU A 686 63.921 56.132 14.089 1.00 44.86 O +ATOM 5339 OE2 GLU A 686 65.777 56.944 15.024 1.00 45.16 O +ATOM 5340 N PRO A 687 59.584 55.360 17.859 1.00 34.20 N +ATOM 5341 CA PRO A 687 58.357 54.559 17.788 1.00 33.84 C +ATOM 5342 C PRO A 687 58.004 54.110 16.375 1.00 33.94 C +ATOM 5343 O PRO A 687 58.628 54.516 15.392 1.00 34.73 O +ATOM 5344 CB PRO A 687 57.318 55.488 18.394 1.00 33.20 C +ATOM 5345 CG PRO A 687 57.794 56.822 17.958 1.00 32.79 C +ATOM 5346 CD PRO A 687 59.269 56.736 18.271 1.00 33.98 C +ATOM 5347 N ILE A 688 57.006 53.249 16.287 1.00 34.57 N +ATOM 5348 CA ILE A 688 56.549 52.718 15.011 1.00 34.95 C +ATOM 5349 C ILE A 688 55.023 52.706 15.068 1.00 36.00 C +ATOM 5350 O ILE A 688 54.443 51.967 15.879 1.00 34.49 O +ATOM 5351 CB ILE A 688 57.024 51.270 14.825 1.00 35.13 C +ATOM 5352 CG1 ILE A 688 58.549 51.214 14.724 1.00 33.66 C +ATOM 5353 CG2 ILE A 688 56.323 50.619 13.625 1.00 35.68 C +ATOM 5354 CD1 ILE A 688 59.066 49.800 14.579 1.00 35.08 C +ATOM 5355 N ALA A 689 54.389 53.516 14.215 1.00 36.63 N +ATOM 5356 CA ALA A 689 52.923 53.588 14.186 1.00 38.28 C +ATOM 5357 C ALA A 689 52.274 52.341 13.584 1.00 39.28 C +ATOM 5358 O ALA A 689 51.443 51.691 14.237 1.00 38.85 O +ATOM 5359 CB ALA A 689 52.473 54.821 13.451 1.00 38.60 C +ATOM 5360 N ASP A 690 52.642 51.990 12.350 1.00 40.22 N +ATOM 5361 CA ASP A 690 52.049 50.814 11.721 1.00 41.25 C +ATOM 5362 C ASP A 690 52.600 49.480 12.249 1.00 41.22 C +ATOM 5363 O ASP A 690 53.194 48.696 11.502 1.00 40.50 O +ATOM 5364 CB ASP A 690 52.162 50.887 10.193 1.00 42.80 C +ATOM 5365 CG ASP A 690 51.232 49.887 9.480 1.00 46.11 C +ATOM 5366 OD1 ASP A 690 50.333 49.305 10.133 1.00 46.81 O +ATOM 5367 OD2 ASP A 690 51.389 49.687 8.252 1.00 49.06 O +ATOM 5368 N GLN A 691 52.330 49.194 13.521 1.00 41.79 N +ATOM 5369 CA GLN A 691 52.794 47.959 14.157 1.00 43.11 C +ATOM 5370 C GLN A 691 52.554 46.718 13.296 1.00 44.39 C +ATOM 5371 O GLN A 691 53.484 45.978 12.993 1.00 46.07 O +ATOM 5372 CB GLN A 691 52.109 47.760 15.506 1.00 41.71 C +ATOM 5373 CG GLN A 691 52.504 48.751 16.568 1.00 42.32 C +ATOM 5374 CD GLN A 691 53.790 48.377 17.264 1.00 42.77 C +ATOM 5375 OE1 GLN A 691 54.023 47.206 17.571 1.00 41.86 O +ATOM 5376 NE2 GLN A 691 54.639 49.374 17.519 1.00 43.29 N +ATOM 5377 N ARG A 692 51.311 46.513 12.878 1.00 45.03 N +ATOM 5378 CA ARG A 692 50.944 45.357 12.070 1.00 44.43 C +ATOM 5379 C ARG A 692 51.904 45.104 10.918 1.00 42.63 C +ATOM 5380 O ARG A 692 52.250 43.959 10.647 1.00 42.60 O +ATOM 5381 CB ARG A 692 49.489 45.486 11.592 1.00 47.50 C +ATOM 5382 CG ARG A 692 48.491 45.406 12.757 1.00 51.18 C +ATOM 5383 CD ARG A 692 47.082 45.868 12.422 1.00 54.81 C +ATOM 5384 NE ARG A 692 46.291 46.049 13.651 1.00 58.88 N +ATOM 5385 CZ ARG A 692 45.067 46.585 13.711 1.00 59.36 C +ATOM 5386 NH1 ARG A 692 44.459 47.003 12.605 1.00 60.37 N +ATOM 5387 NH2 ARG A 692 44.458 46.730 14.887 1.00 58.34 N +ATOM 5388 N ALA A 693 52.404 46.172 10.304 1.00 40.71 N +ATOM 5389 CA ALA A 693 53.341 46.037 9.189 1.00 39.55 C +ATOM 5390 C ALA A 693 54.741 45.673 9.678 1.00 38.62 C +ATOM 5391 O ALA A 693 55.549 45.100 8.939 1.00 37.95 O +ATOM 5392 CB ALA A 693 53.390 47.319 8.400 1.00 39.95 C +ATOM 5393 N ALA A 694 55.032 46.077 10.911 1.00 37.44 N +ATOM 5394 CA ALA A 694 56.310 45.808 11.558 1.00 36.25 C +ATOM 5395 C ALA A 694 56.330 44.350 12.042 1.00 35.34 C +ATOM 5396 O ALA A 694 57.343 43.646 11.955 1.00 33.97 O +ATOM 5397 CB ALA A 694 56.501 46.767 12.738 1.00 35.29 C +ATOM 5398 N GLU A 695 55.179 43.898 12.511 1.00 34.59 N +ATOM 5399 CA GLU A 695 55.033 42.552 13.012 1.00 35.50 C +ATOM 5400 C GLU A 695 55.262 41.522 11.903 1.00 35.94 C +ATOM 5401 O GLU A 695 55.650 40.373 12.176 1.00 35.38 O +ATOM 5402 CB GLU A 695 53.658 42.402 13.667 1.00 35.33 C +ATOM 5403 CG GLU A 695 53.453 43.254 14.934 1.00 34.99 C +ATOM 5404 CD GLU A 695 54.083 42.643 16.186 1.00 35.67 C +ATOM 5405 OE1 GLU A 695 55.041 41.858 16.046 1.00 36.30 O +ATOM 5406 OE2 GLU A 695 53.625 42.942 17.315 1.00 35.16 O +ATOM 5407 N GLN A 696 55.028 41.937 10.657 1.00 36.72 N +ATOM 5408 CA GLN A 696 55.243 41.067 9.498 1.00 37.67 C +ATOM 5409 C GLN A 696 56.666 41.258 8.980 1.00 37.80 C +ATOM 5410 O GLN A 696 57.167 40.424 8.214 1.00 37.45 O +ATOM 5411 CB GLN A 696 54.262 41.370 8.369 1.00 38.44 C +ATOM 5412 CG GLN A 696 54.277 40.328 7.239 1.00 40.41 C +ATOM 5413 CD GLN A 696 53.510 39.043 7.570 1.00 41.67 C +ATOM 5414 OE1 GLN A 696 53.677 38.024 6.904 1.00 43.02 O +ATOM 5415 NE2 GLN A 696 52.648 39.097 8.577 1.00 42.56 N +ATOM 5416 N TYR A 697 57.293 42.371 9.371 1.00 36.50 N +ATOM 5417 CA TYR A 697 58.671 42.659 8.973 1.00 35.98 C +ATOM 5418 C TYR A 697 59.586 41.694 9.737 1.00 34.80 C +ATOM 5419 O TYR A 697 60.448 41.032 9.146 1.00 32.84 O +ATOM 5420 CB TYR A 697 59.049 44.121 9.286 1.00 36.50 C +ATOM 5421 CG TYR A 697 60.446 44.509 8.827 1.00 35.66 C +ATOM 5422 CD1 TYR A 697 60.773 44.527 7.470 1.00 35.45 C +ATOM 5423 CD2 TYR A 697 61.459 44.774 9.751 1.00 34.25 C +ATOM 5424 CE1 TYR A 697 62.079 44.783 7.048 1.00 35.46 C +ATOM 5425 CE2 TYR A 697 62.757 45.033 9.339 1.00 33.50 C +ATOM 5426 CZ TYR A 697 63.062 45.027 7.988 1.00 34.18 C +ATOM 5427 OH TYR A 697 64.359 45.202 7.576 1.00 34.81 O +ATOM 5428 N VAL A 698 59.383 41.618 11.051 1.00 33.48 N +ATOM 5429 CA VAL A 698 60.162 40.721 11.888 1.00 32.78 C +ATOM 5430 C VAL A 698 60.007 39.315 11.321 1.00 34.15 C +ATOM 5431 O VAL A 698 61.003 38.629 11.083 1.00 34.59 O +ATOM 5432 CB VAL A 698 59.676 40.739 13.347 1.00 31.83 C +ATOM 5433 CG1 VAL A 698 60.347 39.643 14.136 1.00 31.24 C +ATOM 5434 CG2 VAL A 698 59.970 42.075 13.976 1.00 31.52 C +ATOM 5435 N ILE A 699 58.761 38.911 11.064 1.00 34.57 N +ATOM 5436 CA ILE A 699 58.481 37.591 10.496 1.00 34.57 C +ATOM 5437 C ILE A 699 59.189 37.375 9.167 1.00 34.85 C +ATOM 5438 O ILE A 699 60.044 36.504 9.052 1.00 35.49 O +ATOM 5439 CB ILE A 699 56.974 37.345 10.299 1.00 34.14 C +ATOM 5440 CG1 ILE A 699 56.271 37.281 11.660 1.00 33.62 C +ATOM 5441 CG2 ILE A 699 56.746 36.062 9.503 1.00 32.17 C +ATOM 5442 CD1 ILE A 699 54.898 36.665 11.602 1.00 34.23 C +ATOM 5443 N ASP A 700 58.872 38.186 8.172 1.00 35.66 N +ATOM 5444 CA ASP A 700 59.515 38.035 6.874 1.00 38.03 C +ATOM 5445 C ASP A 700 61.038 37.993 6.976 1.00 38.88 C +ATOM 5446 O ASP A 700 61.661 37.071 6.431 1.00 39.25 O +ATOM 5447 CB ASP A 700 59.061 39.138 5.913 1.00 40.05 C +ATOM 5448 CG ASP A 700 57.581 39.059 5.600 1.00 40.49 C +ATOM 5449 OD1 ASP A 700 56.983 37.980 5.799 1.00 41.57 O +ATOM 5450 OD2 ASP A 700 57.012 40.077 5.165 1.00 40.54 O +ATOM 5451 N GLU A 701 61.615 38.953 7.713 1.00 39.42 N +ATOM 5452 CA GLU A 701 63.069 39.060 7.935 1.00 38.84 C +ATOM 5453 C GLU A 701 63.683 37.870 8.663 1.00 38.67 C +ATOM 5454 O GLU A 701 64.850 37.526 8.445 1.00 39.56 O +ATOM 5455 CB GLU A 701 63.400 40.329 8.710 1.00 39.13 C +ATOM 5456 CG GLU A 701 63.301 41.602 7.878 1.00 41.79 C +ATOM 5457 CD GLU A 701 64.265 41.615 6.699 1.00 42.40 C +ATOM 5458 OE1 GLU A 701 65.491 41.691 6.935 1.00 44.01 O +ATOM 5459 OE2 GLU A 701 63.800 41.538 5.540 1.00 41.51 O +ATOM 5460 N TYR A 702 62.906 37.258 9.547 1.00 37.91 N +ATOM 5461 CA TYR A 702 63.366 36.101 10.289 1.00 37.18 C +ATOM 5462 C TYR A 702 63.333 34.913 9.345 1.00 37.07 C +ATOM 5463 O TYR A 702 64.329 34.188 9.194 1.00 36.41 O +ATOM 5464 CB TYR A 702 62.427 35.838 11.454 1.00 37.32 C +ATOM 5465 CG TYR A 702 62.904 34.801 12.443 1.00 37.86 C +ATOM 5466 CD1 TYR A 702 64.261 34.481 12.577 1.00 37.11 C +ATOM 5467 CD2 TYR A 702 61.997 34.185 13.296 1.00 37.73 C +ATOM 5468 CE1 TYR A 702 64.682 33.578 13.546 1.00 37.67 C +ATOM 5469 CE2 TYR A 702 62.404 33.289 14.257 1.00 37.19 C +ATOM 5470 CZ TYR A 702 63.736 32.984 14.385 1.00 38.13 C +ATOM 5471 OH TYR A 702 64.096 32.076 15.356 1.00 39.69 O +ATOM 5472 N ASN A 703 62.182 34.743 8.699 1.00 35.78 N +ATOM 5473 CA ASN A 703 61.955 33.657 7.760 1.00 35.68 C +ATOM 5474 C ASN A 703 63.007 33.659 6.637 1.00 35.17 C +ATOM 5475 O ASN A 703 63.477 32.596 6.199 1.00 34.16 O +ATOM 5476 CB ASN A 703 60.525 33.745 7.191 1.00 36.53 C +ATOM 5477 CG ASN A 703 59.441 33.291 8.194 1.00 35.88 C +ATOM 5478 OD1 ASN A 703 59.351 33.789 9.317 1.00 35.35 O +ATOM 5479 ND2 ASN A 703 58.614 32.352 7.773 1.00 35.38 N +ATOM 5480 N LYS A 704 63.373 34.849 6.171 1.00 34.65 N +ATOM 5481 CA LYS A 704 64.388 34.983 5.128 1.00 34.64 C +ATOM 5482 C LYS A 704 65.692 34.370 5.634 1.00 33.82 C +ATOM 5483 O LYS A 704 66.224 33.448 5.025 1.00 33.27 O +ATOM 5484 CB LYS A 704 64.604 36.468 4.759 1.00 35.13 C +ATOM 5485 CG LYS A 704 63.478 37.060 3.933 1.00 35.70 C +ATOM 5486 CD LYS A 704 63.416 38.569 4.042 1.00 37.15 C +ATOM 5487 CE LYS A 704 62.153 39.125 3.353 1.00 38.52 C +ATOM 5488 NZ LYS A 704 61.768 40.521 3.791 1.00 38.96 N +ATOM 5489 N LEU A 705 66.166 34.851 6.782 1.00 33.04 N +ATOM 5490 CA LEU A 705 67.405 34.355 7.379 1.00 32.23 C +ATOM 5491 C LEU A 705 67.345 32.866 7.674 1.00 31.74 C +ATOM 5492 O LEU A 705 68.319 32.155 7.447 1.00 32.55 O +ATOM 5493 CB LEU A 705 67.739 35.111 8.679 1.00 31.79 C +ATOM 5494 CG LEU A 705 68.964 34.610 9.462 1.00 29.27 C +ATOM 5495 CD1 LEU A 705 70.224 35.011 8.735 1.00 29.75 C +ATOM 5496 CD2 LEU A 705 68.979 35.159 10.855 1.00 27.39 C +ATOM 5497 N LYS A 706 66.218 32.398 8.198 1.00 30.91 N +ATOM 5498 CA LYS A 706 66.085 30.987 8.526 1.00 30.42 C +ATOM 5499 C LYS A 706 66.140 30.089 7.304 1.00 29.22 C +ATOM 5500 O LYS A 706 66.798 29.055 7.339 1.00 29.81 O +ATOM 5501 CB LYS A 706 64.813 30.721 9.345 1.00 31.86 C +ATOM 5502 CG LYS A 706 64.887 31.165 10.795 1.00 32.97 C +ATOM 5503 CD LYS A 706 63.505 31.307 11.428 1.00 34.74 C +ATOM 5504 CE LYS A 706 63.092 30.059 12.187 1.00 37.61 C +ATOM 5505 NZ LYS A 706 61.954 30.293 13.133 1.00 37.46 N +ATOM 5506 N THR A 707 65.473 30.476 6.219 1.00 29.10 N +ATOM 5507 CA THR A 707 65.480 29.651 5.005 1.00 29.36 C +ATOM 5508 C THR A 707 66.842 29.748 4.360 1.00 27.99 C +ATOM 5509 O THR A 707 67.393 28.754 3.915 1.00 28.44 O +ATOM 5510 CB THR A 707 64.432 30.089 3.989 1.00 29.14 C +ATOM 5511 OG1 THR A 707 64.679 31.442 3.638 1.00 33.66 O +ATOM 5512 CG2 THR A 707 63.042 29.993 4.572 1.00 30.19 C +ATOM 5513 N ARG A 708 67.382 30.959 4.349 1.00 27.48 N +ATOM 5514 CA ARG A 708 68.704 31.245 3.806 1.00 27.89 C +ATOM 5515 C ARG A 708 69.719 30.251 4.369 1.00 28.43 C +ATOM 5516 O ARG A 708 70.322 29.456 3.626 1.00 28.51 O +ATOM 5517 CB ARG A 708 69.124 32.662 4.212 1.00 29.13 C +ATOM 5518 CG ARG A 708 70.517 33.036 3.758 1.00 30.33 C +ATOM 5519 CD ARG A 708 71.084 34.191 4.533 1.00 28.89 C +ATOM 5520 NE ARG A 708 72.501 33.943 4.789 1.00 28.37 N +ATOM 5521 CZ ARG A 708 73.149 34.419 5.839 1.00 29.08 C +ATOM 5522 NH1 ARG A 708 72.498 35.166 6.725 1.00 31.41 N +ATOM 5523 NH2 ARG A 708 74.441 34.173 5.999 1.00 28.68 N +ATOM 5524 N LEU A 709 69.904 30.330 5.689 1.00 27.67 N +ATOM 5525 CA LEU A 709 70.801 29.462 6.433 1.00 26.32 C +ATOM 5526 C LEU A 709 70.468 28.006 6.206 1.00 26.90 C +ATOM 5527 O LEU A 709 71.366 27.168 6.143 1.00 27.76 O +ATOM 5528 CB LEU A 709 70.688 29.755 7.927 1.00 24.75 C +ATOM 5529 CG LEU A 709 71.414 30.992 8.444 1.00 23.66 C +ATOM 5530 CD1 LEU A 709 71.019 31.272 9.882 1.00 20.77 C +ATOM 5531 CD2 LEU A 709 72.926 30.813 8.286 1.00 21.46 C +ATOM 5532 N ARG A 710 69.178 27.700 6.091 1.00 27.73 N +ATOM 5533 CA ARG A 710 68.725 26.326 5.882 1.00 29.33 C +ATOM 5534 C ARG A 710 69.145 25.721 4.534 1.00 29.57 C +ATOM 5535 O ARG A 710 69.599 24.578 4.450 1.00 28.16 O +ATOM 5536 CB ARG A 710 67.222 26.266 6.031 1.00 30.18 C +ATOM 5537 CG ARG A 710 66.710 24.893 6.272 1.00 32.47 C +ATOM 5538 CD ARG A 710 65.232 24.918 6.504 1.00 34.82 C +ATOM 5539 NE ARG A 710 64.676 23.632 6.124 1.00 39.98 N +ATOM 5540 CZ ARG A 710 64.459 22.633 6.967 1.00 41.35 C +ATOM 5541 NH1 ARG A 710 64.738 22.773 8.258 1.00 39.66 N +ATOM 5542 NH2 ARG A 710 64.005 21.476 6.499 1.00 44.38 N +ATOM 5543 N GLU A 711 69.011 26.508 3.483 1.00 30.70 N +ATOM 5544 CA GLU A 711 69.390 26.070 2.163 1.00 32.09 C +ATOM 5545 C GLU A 711 70.884 25.786 2.118 1.00 31.49 C +ATOM 5546 O GLU A 711 71.305 24.834 1.489 1.00 32.42 O +ATOM 5547 CB GLU A 711 68.997 27.133 1.127 1.00 34.58 C +ATOM 5548 CG GLU A 711 67.482 27.307 0.974 1.00 38.45 C +ATOM 5549 CD GLU A 711 67.079 28.457 0.053 1.00 43.25 C +ATOM 5550 OE1 GLU A 711 67.932 29.313 -0.285 1.00 46.73 O +ATOM 5551 OE2 GLU A 711 65.890 28.518 -0.332 1.00 45.23 O +ATOM 5552 N ALA A 712 71.677 26.592 2.815 1.00 31.32 N +ATOM 5553 CA ALA A 712 73.134 26.425 2.845 1.00 31.27 C +ATOM 5554 C ALA A 712 73.545 25.161 3.559 1.00 32.40 C +ATOM 5555 O ALA A 712 74.538 24.528 3.211 1.00 33.38 O +ATOM 5556 CB ALA A 712 73.780 27.603 3.530 1.00 30.73 C +ATOM 5557 N ALA A 713 72.812 24.824 4.607 1.00 33.09 N +ATOM 5558 CA ALA A 713 73.148 23.650 5.365 1.00 33.51 C +ATOM 5559 C ALA A 713 72.687 22.379 4.698 1.00 33.61 C +ATOM 5560 O ALA A 713 73.465 21.433 4.551 1.00 32.85 O +ATOM 5561 CB ALA A 713 72.576 23.750 6.760 1.00 32.47 C +ATOM 5562 N LEU A 714 71.443 22.391 4.234 1.00 35.33 N +ATOM 5563 CA LEU A 714 70.840 21.209 3.628 1.00 37.14 C +ATOM 5564 C LEU A 714 70.815 21.158 2.101 1.00 38.31 C +ATOM 5565 O LEU A 714 69.831 20.673 1.533 1.00 39.07 O +ATOM 5566 CB LEU A 714 69.412 21.013 4.186 1.00 36.51 C +ATOM 5567 CG LEU A 714 69.132 21.197 5.699 1.00 36.88 C +ATOM 5568 CD1 LEU A 714 67.673 20.831 5.999 1.00 37.67 C +ATOM 5569 CD2 LEU A 714 70.053 20.351 6.569 1.00 35.44 C +ATOM 5570 N ALA A 715 71.907 21.565 1.445 1.00 39.95 N +ATOM 5571 CA ALA A 715 71.994 21.543 -0.020 1.00 41.84 C +ATOM 5572 C ALA A 715 73.346 20.992 -0.510 1.00 43.09 C +ATOM 5573 O ALA A 715 73.399 20.392 -1.624 1.00 42.95 O +ATOM 5574 CB ALA A 715 71.762 22.950 -0.589 1.00 40.98 C +ATOM 5575 OXT ALA A 715 74.332 21.146 0.246 1.00 44.19 O +TER 5576 ALA A 715 +HETATM 5577 FE1 SF4 A 800 72.707 27.217 34.534 1.00 11.23 FE +HETATM 5578 FE2 SF4 A 800 74.494 25.674 33.185 1.00 14.16 FE +HETATM 5579 FE3 SF4 A 800 74.740 25.762 35.860 1.00 12.89 FE +HETATM 5580 FE4 SF4 A 800 75.077 27.921 34.299 1.00 13.29 FE +HETATM 5581 S1 SF4 A 800 76.400 26.011 34.379 1.00 14.35 S +HETATM 5582 S2 SF4 A 800 73.999 27.980 36.255 1.00 13.87 S +HETATM 5583 S3 SF4 A 800 73.679 27.650 32.472 1.00 14.58 S +HETATM 5584 S4 SF4 A 800 72.941 24.932 34.687 1.00 14.86 S +HETATM 5585 PB MGD A 801 79.057 31.483 21.133 1.00 21.59 P +HETATM 5586 O1B MGD A 801 77.921 32.301 20.718 1.00 21.03 O +HETATM 5587 O2B MGD A 801 78.885 30.532 22.269 1.00 22.72 O +HETATM 5588 O3B MGD A 801 80.167 32.586 21.396 1.00 23.23 O +HETATM 5589 O3A MGD A 801 80.794 35.057 21.501 1.00 25.18 O +HETATM 5590 PA MGD A 801 80.486 33.857 20.483 1.00 24.97 P +HETATM 5591 O1A MGD A 801 81.715 33.611 19.686 1.00 26.53 O +HETATM 5592 O2A MGD A 801 79.280 34.152 19.732 1.00 26.68 O +HETATM 5593 O5' MGD A 801 79.648 30.698 19.862 1.00 18.92 O +HETATM 5594 C5' MGD A 801 79.940 29.302 19.954 1.00 16.40 C +HETATM 5595 C4' MGD A 801 79.979 28.727 18.548 1.00 17.67 C +HETATM 5596 O4' MGD A 801 80.630 27.467 18.576 1.00 18.71 O +HETATM 5597 C3' MGD A 801 78.574 28.495 17.969 1.00 18.04 C +HETATM 5598 O3' MGD A 801 78.580 28.593 16.537 1.00 12.85 O +HETATM 5599 C2' MGD A 801 78.317 27.039 18.394 1.00 19.03 C +HETATM 5600 O2' MGD A 801 77.345 26.442 17.515 1.00 19.79 O +HETATM 5601 C1' MGD A 801 79.714 26.455 18.189 1.00 18.79 C +HETATM 5602 N9 MGD A 801 80.018 25.253 18.960 1.00 19.05 N +HETATM 5603 C8 MGD A 801 79.511 24.729 20.142 1.00 19.90 C +HETATM 5604 N7 MGD A 801 80.119 23.628 20.555 1.00 18.57 N +HETATM 5605 C5 MGD A 801 81.078 23.416 19.578 1.00 17.71 C +HETATM 5606 C6 MGD A 801 82.033 22.405 19.430 1.00 16.94 C +HETATM 5607 O6 MGD A 801 82.139 21.418 20.151 1.00 16.66 O +HETATM 5608 N1 MGD A 801 82.803 22.558 18.307 1.00 17.07 N +HETATM 5609 C2 MGD A 801 82.693 23.571 17.400 1.00 16.08 C +HETATM 5610 N2 MGD A 801 83.511 23.523 16.371 1.00 16.58 N +HETATM 5611 N3 MGD A 801 81.797 24.537 17.519 1.00 16.50 N +HETATM 5612 C4 MGD A 801 81.024 24.406 18.612 1.00 18.49 C +HETATM 5613 C10 MGD A 801 80.188 35.356 22.733 1.00 24.98 C +HETATM 5614 C11 MGD A 801 80.685 36.788 23.001 1.00 25.14 C +HETATM 5615 O11 MGD A 801 79.720 37.773 22.718 1.00 26.14 O +HETATM 5616 C12 MGD A 801 81.136 36.989 24.427 1.00 24.90 C +HETATM 5617 S12 MGD A 801 81.566 35.623 25.445 1.00 26.69 S +HETATM 5618 C13 MGD A 801 81.116 38.256 24.997 1.00 24.47 C +HETATM 5619 S13 MGD A 801 81.729 38.407 26.652 1.00 24.94 S +HETATM 5620 C14 MGD A 801 80.617 39.460 24.219 1.00 23.46 C +HETATM 5621 N15 MGD A 801 79.463 39.983 24.917 1.00 22.27 N +HETATM 5622 C16 MGD A 801 78.720 40.882 24.201 1.00 23.80 C +HETATM 5623 C17 MGD A 801 77.932 41.827 24.882 1.00 23.20 C +HETATM 5624 O17 MGD A 801 77.936 41.898 26.105 1.00 21.06 O +HETATM 5625 N18 MGD A 801 77.180 42.691 24.111 1.00 25.35 N +HETATM 5626 C19 MGD A 801 77.175 42.665 22.742 1.00 24.50 C +HETATM 5627 N19 MGD A 801 76.335 43.470 22.081 1.00 24.40 N +HETATM 5628 N20 MGD A 801 77.931 41.777 22.110 1.00 24.56 N +HETATM 5629 C21 MGD A 801 78.702 40.874 22.779 1.00 25.27 C +HETATM 5630 N22 MGD A 801 79.445 39.989 22.050 1.00 25.15 N +HETATM 5631 C23 MGD A 801 80.282 39.058 22.798 1.00 24.47 C +HETATM 5632 PB MGD A 802 76.352 41.696 31.651 1.00 17.69 P +HETATM 5633 O1B MGD A 802 75.056 41.170 32.039 1.00 17.72 O +HETATM 5634 O2B MGD A 802 76.663 41.892 30.210 1.00 19.38 O +HETATM 5635 O3B MGD A 802 77.460 40.710 32.197 1.00 19.05 O +HETATM 5636 O3A MGD A 802 77.610 38.347 32.758 1.00 18.16 O +HETATM 5637 PA MGD A 802 77.633 39.767 33.462 1.00 20.83 P +HETATM 5638 O1A MGD A 802 78.998 40.069 33.994 1.00 22.61 O +HETATM 5639 O2A MGD A 802 76.457 39.952 34.347 1.00 19.45 O +HETATM 5640 O5' MGD A 802 76.609 43.044 32.452 1.00 19.14 O +HETATM 5641 C5' MGD A 802 76.720 43.061 33.863 1.00 18.38 C +HETATM 5642 C4' MGD A 802 76.171 44.346 34.422 1.00 19.01 C +HETATM 5643 O4' MGD A 802 77.000 45.456 34.195 1.00 19.84 O +HETATM 5644 C3' MGD A 802 74.841 44.686 33.771 1.00 19.56 C +HETATM 5645 O3' MGD A 802 73.841 44.494 34.758 1.00 18.21 O +HETATM 5646 C2' MGD A 802 74.989 46.165 33.374 1.00 22.18 C +HETATM 5647 O2' MGD A 802 73.848 46.980 33.699 1.00 24.31 O +HETATM 5648 C1' MGD A 802 76.129 46.571 34.261 1.00 22.71 C +HETATM 5649 N9 MGD A 802 76.695 47.885 33.835 1.00 24.53 N +HETATM 5650 C8 MGD A 802 76.501 48.611 32.675 1.00 24.52 C +HETATM 5651 N7 MGD A 802 77.144 49.758 32.686 1.00 25.46 N +HETATM 5652 C5 MGD A 802 77.797 49.778 33.924 1.00 22.86 C +HETATM 5653 C6 MGD A 802 78.643 50.735 34.532 1.00 23.67 C +HETATM 5654 O6 MGD A 802 79.020 51.771 33.961 1.00 25.14 O +HETATM 5655 N1 MGD A 802 79.079 50.398 35.798 1.00 22.07 N +HETATM 5656 C2 MGD A 802 78.728 49.233 36.424 1.00 21.22 C +HETATM 5657 N2 MGD A 802 79.173 48.973 37.656 1.00 20.70 N +HETATM 5658 N3 MGD A 802 77.945 48.358 35.831 1.00 20.89 N +HETATM 5659 C4 MGD A 802 77.516 48.661 34.614 1.00 21.99 C +HETATM 5660 C10 MGD A 802 78.463 38.088 31.653 1.00 21.04 C +HETATM 5661 C11 MGD A 802 78.548 36.588 31.399 1.00 24.97 C +HETATM 5662 O11 MGD A 802 77.241 36.029 31.265 1.00 24.82 O +HETATM 5663 C12 MGD A 802 79.376 36.268 30.158 1.00 26.24 C +HETATM 5664 S12 MGD A 802 80.927 37.086 29.902 1.00 27.37 S +HETATM 5665 C13 MGD A 802 78.937 35.257 29.269 1.00 25.56 C +HETATM 5666 S13 MGD A 802 79.812 34.934 27.768 1.00 25.87 S +HETATM 5667 C14 MGD A 802 77.665 34.484 29.564 1.00 25.24 C +HETATM 5668 N15 MGD A 802 76.599 34.947 28.694 1.00 25.48 N +HETATM 5669 C16 MGD A 802 75.327 34.585 29.088 1.00 25.30 C +HETATM 5670 C17 MGD A 802 74.235 34.677 28.161 1.00 24.95 C +HETATM 5671 O17 MGD A 802 74.401 34.871 26.952 1.00 22.56 O +HETATM 5672 N18 MGD A 802 72.977 34.361 28.661 1.00 25.20 N +HETATM 5673 C19 MGD A 802 72.792 33.964 29.960 1.00 24.86 C +HETATM 5674 N19 MGD A 802 71.579 33.792 30.442 1.00 24.71 N +HETATM 5675 N20 MGD A 802 73.819 33.856 30.785 1.00 25.71 N +HETATM 5676 C21 MGD A 802 75.086 34.165 30.402 1.00 25.20 C +HETATM 5677 N22 MGD A 802 76.093 34.017 31.309 1.00 24.42 N +HETATM 5678 C23 MGD A 802 77.332 34.675 30.988 1.00 23.87 C +HETATM 5679 MO 6MO A 803 81.790 36.367 27.811 1.00 25.13 MO +HETATM 5680 O HOH A 804 81.358 38.259 34.297 1.00 24.12 O +HETATM 5681 O HOH A 805 80.409 21.561 39.837 1.00 12.20 O +HETATM 5682 O HOH A 806 80.037 14.428 6.768 1.00 20.21 O +HETATM 5683 O HOH A 807 95.810 16.515 1.749 1.00 14.32 O +HETATM 5684 O HOH A 808 84.522 59.799 54.567 1.00 42.64 O +HETATM 5685 O HOH A 809 87.359 45.090 54.214 1.00 27.25 O +HETATM 5686 O HOH A 810 87.324 41.864 47.800 1.00 21.09 O +HETATM 5687 O HOH A 811 84.945 29.168 31.957 1.00 4.52 O +HETATM 5688 O HOH A 812 105.599 29.979 19.702 1.00 2.74 O +HETATM 5689 O HOH A 813 94.045 40.256 3.432 1.00 2.00 O +HETATM 5690 O HOH A 814 80.072 29.504 14.018 1.00 17.24 O +HETATM 5691 O HOH A 815 84.836 18.132 19.331 1.00 49.70 O +HETATM 5692 O HOH A 816 79.214 15.100 26.489 1.00 19.99 O +HETATM 5693 O HOH A 817 85.303 16.223 37.244 1.00 8.62 O +HETATM 5694 O HOH A 818 93.303 13.363 13.527 1.00 67.43 O +HETATM 5695 O HOH A 819 73.450 13.032 18.238 1.00 11.85 O +HETATM 5696 O HOH A 820 84.144 22.916 34.781 1.00 14.44 O +HETATM 5697 O HOH A 821 80.161 25.175 32.892 1.00 11.56 O +HETATM 5698 O HOH A 822 83.181 25.080 33.483 1.00 22.54 O +HETATM 5699 O HOH A 823 61.014 34.591 30.958 1.00 43.61 O +HETATM 5700 O HOH A 824 76.138 20.713 6.701 1.00 38.77 O +HETATM 5701 O HOH A 825 89.195 32.135 37.198 1.00 19.28 O +HETATM 5702 O HOH A 826 96.026 47.595 41.456 1.00 19.60 O +HETATM 5703 O HOH A 827 71.793 20.954 28.676 1.00 54.73 O +HETATM 5704 O HOH A 828 78.456 21.815 22.410 1.00 21.87 O +HETATM 5705 O HOH A 829 81.931 18.796 40.832 1.00 16.07 O +HETATM 5706 O HOH A 830 66.609 29.986 36.766 1.00 8.38 O +HETATM 5707 O HOH A 831 73.469 31.792 33.224 1.00 19.68 O +HETATM 5708 O HOH A 832 69.227 21.216 17.131 1.00 20.12 O +HETATM 5709 O HOH A 833 69.221 22.034 14.334 1.00 16.58 O +HETATM 5710 O HOH A 834 84.183 15.210 -2.572 1.00 20.94 O +HETATM 5711 O HOH A 835 92.218 21.801 -4.426 1.00 40.82 O +HETATM 5712 O HOH A 836 103.031 18.676 1.949 1.00 26.69 O +HETATM 5713 O HOH A 837 86.353 24.497 24.797 1.00 3.06 O +HETATM 5714 O HOH A 838 83.312 25.051 21.182 1.00 5.33 O +HETATM 5715 O HOH A 839 93.413 37.027 41.122 1.00 30.46 O +HETATM 5716 O HOH A 840 82.906 29.098 51.494 1.00 23.32 O +HETATM 5717 O HOH A 841 84.229 53.557 33.137 1.00 27.47 O +HETATM 5718 O HOH A 842 98.424 38.024 53.239 1.00 23.51 O +HETATM 5719 O HOH A 843 95.864 38.614 54.007 1.00 13.64 O +HETATM 5720 O HOH A 844 102.563 40.068 48.952 1.00 18.31 O +HETATM 5721 O HOH A 845 100.493 59.810 41.470 1.00 25.58 O +HETATM 5722 O HOH A 846 102.373 32.398 34.442 1.00 14.12 O +HETATM 5723 O HOH A 847 108.842 20.842 34.381 1.00 33.23 O +HETATM 5724 O HOH A 848 110.752 19.771 26.373 1.00 16.13 O +HETATM 5725 O HOH A 849 82.603 36.078 18.419 1.00 52.97 O +HETATM 5726 O HOH A 850 76.248 29.368 20.638 1.00 17.52 O +HETATM 5727 O HOH A 851 87.890 44.598 7.256 1.00 35.03 O +HETATM 5728 O HOH A 852 88.009 11.374 24.095 1.00 24.34 O +HETATM 5729 O HOH A 853 84.724 26.415 44.249 1.00 10.17 O +HETATM 5730 O HOH A 854 93.615 11.982 16.039 1.00 10.89 O +HETATM 5731 O HOH A 855 105.002 16.305 27.044 1.00 35.98 O +HETATM 5732 O HOH A 856 102.070 26.920 41.837 1.00 23.46 O +HETATM 5733 O HOH A 857 76.515 12.953 40.386 1.00 43.93 O +HETATM 5734 O HOH A 858 98.601 26.980 45.477 1.00 20.58 O +HETATM 5735 O HOH A 859 73.624 29.438 22.395 1.00 2.00 O +HETATM 5736 O HOH A 860 55.504 54.390 11.739 1.00 47.62 O +HETATM 5737 O HOH A 861 83.386 35.012 28.255 1.00 13.46 O +HETATM 5738 O HOH A 862 86.697 36.010 29.572 1.00 8.53 O +HETATM 5739 O HOH A 863 97.405 36.021 33.634 1.00 17.70 O +HETATM 5740 O HOH A 864 92.794 33.636 32.756 1.00 27.01 O +HETATM 5741 O HOH A 865 86.782 38.941 14.152 1.00 30.04 O +HETATM 5742 O HOH A 866 77.273 45.666 5.691 1.00 12.44 O +HETATM 5743 O HOH A 867 76.141 43.649 8.825 1.00 17.25 O +CONECT 60 5578 +CONECT 85 5580 +CONECT 106 5579 +CONECT 303 5577 +CONECT 1065 1070 +CONECT 1070 1065 1071 +CONECT 1071 1070 1072 1074 +CONECT 1072 1071 1073 +CONECT 1073 1072 5679 +CONECT 1074 1071 1075 1076 +CONECT 1075 1074 +CONECT 1076 1074 +CONECT 5577 303 5582 5583 5584 +CONECT 5578 60 5581 5583 5584 +CONECT 5579 106 5581 5582 5584 +CONECT 5580 85 5581 5582 5583 +CONECT 5581 5578 5579 5580 +CONECT 5582 5577 5579 5580 +CONECT 5583 5577 5578 5580 +CONECT 5584 5577 5578 5579 +CONECT 5585 5586 5587 5588 5593 +CONECT 5586 5585 +CONECT 5587 5585 +CONECT 5588 5585 5590 +CONECT 5589 5590 5613 +CONECT 5590 5588 5589 5591 5592 +CONECT 5591 5590 +CONECT 5592 5590 +CONECT 5593 5585 5594 +CONECT 5594 5593 5595 +CONECT 5595 5594 5596 5597 +CONECT 5596 5595 5601 +CONECT 5597 5595 5598 5599 +CONECT 5598 5597 +CONECT 5599 5597 5600 5601 +CONECT 5600 5599 +CONECT 5601 5596 5599 5602 +CONECT 5602 5601 5603 5612 +CONECT 5603 5602 5604 +CONECT 5604 5603 5605 +CONECT 5605 5604 5606 5612 +CONECT 5606 5605 5607 5608 +CONECT 5607 5606 +CONECT 5608 5606 5609 +CONECT 5609 5608 5610 5611 +CONECT 5610 5609 +CONECT 5611 5609 5612 +CONECT 5612 5602 5605 5611 +CONECT 5613 5589 5614 +CONECT 5614 5613 5615 5616 +CONECT 5615 5614 5631 +CONECT 5616 5614 5617 5618 +CONECT 5617 5616 5679 +CONECT 5618 5616 5619 5620 +CONECT 5619 5618 5679 +CONECT 5620 5618 5621 5631 +CONECT 5621 5620 5622 +CONECT 5622 5621 5623 5629 +CONECT 5623 5622 5624 5625 +CONECT 5624 5623 +CONECT 5625 5623 5626 +CONECT 5626 5625 5627 5628 +CONECT 5627 5626 +CONECT 5628 5626 5629 +CONECT 5629 5622 5628 5630 +CONECT 5630 5629 5631 +CONECT 5631 5615 5620 5630 +CONECT 5632 5633 5634 5635 5640 +CONECT 5633 5632 +CONECT 5634 5632 +CONECT 5635 5632 5637 +CONECT 5636 5637 5660 +CONECT 5637 5635 5636 5638 5639 +CONECT 5638 5637 +CONECT 5639 5637 +CONECT 5640 5632 5641 +CONECT 5641 5640 5642 +CONECT 5642 5641 5643 5644 +CONECT 5643 5642 5648 +CONECT 5644 5642 5645 5646 +CONECT 5645 5644 +CONECT 5646 5644 5647 5648 +CONECT 5647 5646 +CONECT 5648 5643 5646 5649 +CONECT 5649 5648 5650 5659 +CONECT 5650 5649 5651 +CONECT 5651 5650 5652 +CONECT 5652 5651 5653 5659 +CONECT 5653 5652 5654 5655 +CONECT 5654 5653 +CONECT 5655 5653 5656 +CONECT 5656 5655 5657 5658 +CONECT 5657 5656 +CONECT 5658 5656 5659 +CONECT 5659 5649 5652 5658 +CONECT 5660 5636 5661 +CONECT 5661 5660 5662 5663 +CONECT 5662 5661 5678 +CONECT 5663 5661 5664 5665 +CONECT 5664 5663 5679 +CONECT 5665 5663 5666 5667 +CONECT 5666 5665 5679 +CONECT 5667 5665 5668 5678 +CONECT 5668 5667 5669 +CONECT 5669 5668 5670 5676 +CONECT 5670 5669 5671 5672 +CONECT 5671 5670 +CONECT 5672 5670 5673 +CONECT 5673 5672 5674 5675 +CONECT 5674 5673 +CONECT 5675 5673 5676 +CONECT 5676 5669 5675 5677 +CONECT 5677 5676 5678 +CONECT 5678 5662 5667 5677 +CONECT 5679 1073 5617 5619 5664 +CONECT 5679 5666 5737 +CONECT 5737 5679 +MASTER 373 0 5 31 24 0 26 6 5742 1 117 55 +END diff --git a/biojava-structure/src/test/resources/1j59.bcif b/biojava-structure/src/test/resources/1j59.bcif new file mode 100644 index 0000000000000000000000000000000000000000..25522f75ba72ecd93542ca0c9077fe4c0af84d92 GIT binary patch literal 257648 zcmeD^2S8KT+UMMn#ZYkDmDaX)s1*=L?TP^bML-$@l*K`hbaiQPaf63k-6-9k2X{(cSnr=VuhA1!pSt5p z>8WLTp1PoWIrOa7>q9FV1J#w{!&gZc*BAMq*PcL`yBc~>yQ&J_;Pf~7f_SyJah9*q zTkG@Gyed9a;l0>H81{o&A-}hAD}g9!WLqf&KTGS~jSF5{8SpQZTa-t?-sNtp@djPh ze&0NQpk9RybXJ7esv2)~&?SEAaS*Mqudnvbb2ZddEgA!F=>@<_ZwD+H2x}!EC}tjx9C{dH3J zVTrhduxz6G-+ffyF@An9*l_YmCrR@;2Ig~&KTvy;_)>VCTU>xAxf`p!UipUJG~wgh zO?dR`SmP4ceU-b>}fg2-~q^v&K&v*9#y_nQSt4 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+ * Note this method will return only the atom in the default alternative location (be it '.' or a letter). * * @param name a trimmed String representing the atom's PDB name, e.g. "CA" * @return an Atom object or null if no such atom exists within this group */ public Atom getAtom(String name) ; - - + /** * Get at atom by position. * From 45f1d70ab3cc899355c34f5cfd2018a6c6adb642 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Thu, 12 Dec 2019 11:34:10 -0800 Subject: [PATCH 080/821] Logging, cleanups, cosmetics --- .../structure/cluster/SubunitCluster.java | 40 +++++++++---------- 1 file changed, 18 insertions(+), 22 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java index 03d8a97749..24bea508a1 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java @@ -71,11 +71,10 @@ */ public class SubunitCluster { - private static final Logger logger = LoggerFactory - .getLogger(SubunitCluster.class); + private static final Logger logger = LoggerFactory.getLogger(SubunitCluster.class); - private List subunits = new ArrayList(); - private List> subunitEQR = new ArrayList>(); + private List subunits = new ArrayList<>(); + private List> subunitEQR = new ArrayList<>(); private int representative = -1; private SubunitClustererMethod method = SubunitClustererMethod.SEQUENCE; @@ -119,7 +118,7 @@ public SubunitCluster(Subunit subunit) { subunits.add(subunit); - List identity = new ArrayList(); + List identity = new ArrayList<>(); for (int i = 0; i < subunit.size(); i++) identity.add(i); subunitEQR.add(identity); @@ -296,13 +295,15 @@ public boolean mergeSequence(SubunitCluster other, SubunitClustererParameters pa return false; } - logger.info(String.format("SubunitClusters are similar in sequence " - + "with %.2f sequence identity and %.2f coverage", sequenceIdentity, - sequenceCoverage)); + logger.info(String.format("SubunitClusters %s-%s are similar in sequence " + + "with %.2f sequence identity and %.2f coverage", + this.subunits.get(this.representative).getName(), + other.subunits.get(other.representative).getName(), + sequenceIdentity, sequenceCoverage)); // If coverage and sequence identity sufficient, merge other and this - List thisAligned = new ArrayList(); - List otherAligned = new ArrayList(); + List thisAligned = new ArrayList<>(); + List otherAligned = new ArrayList<>(); // Extract the aligned residues of both Subunit for (int p = 1; p < aligner.getPair().getLength() + 1; p++) { @@ -318,16 +319,15 @@ public boolean mergeSequence(SubunitCluster other, SubunitClustererParameters pa // Only consider residues that are part of the SubunitCluster if (this.subunitEQR.get(this.representative).contains(thisIndex) - && other.subunitEQR.get(other.representative).contains( - otherIndex)) { + && other.subunitEQR.get(other.representative).contains(otherIndex)) { thisAligned.add(thisIndex); otherAligned.add(otherIndex); } } // Do a List intersection to find out which EQR columns to remove - List thisRemove = new ArrayList(); - List otherRemove = new ArrayList(); + List thisRemove = new ArrayList<>(); + List otherRemove = new ArrayList<>(); for (int t = 0; t < this.subunitEQR.get(this.representative).size(); t++) { // If the index is aligned do nothing, otherwise mark as removing @@ -348,16 +348,14 @@ public boolean mergeSequence(SubunitCluster other, SubunitClustererParameters pa Collections.sort(otherRemove); Collections.reverse(otherRemove); - for (int t = 0; t < thisRemove.size(); t++) { + for (Integer column : thisRemove) { for (List eqr : this.subunitEQR) { - int column = thisRemove.get(t); eqr.remove(column); } } - for (int t = 0; t < otherRemove.size(); t++) { + for (Integer column : otherRemove) { for (List eqr : other.subunitEQR) { - int column = otherRemove.get(t); eqr.remove(column); } } @@ -493,16 +491,14 @@ public boolean mergeStructure(SubunitCluster other, SubunitClustererParameters p Collections.sort(otherRemove); Collections.reverse(otherRemove); - for (int t = 0; t < thisRemove.size(); t++) { + for (Integer column : thisRemove) { for (List eqr : this.subunitEQR) { - int column = thisRemove.get(t); eqr.remove(column); } } - for (int t = 0; t < otherRemove.size(); t++) { + for (Integer column : otherRemove) { for (List eqr : other.subunitEQR) { - int column = otherRemove.get(t); eqr.remove(column); } } From 568a8d400b19eef912c2b60757909b3c1fbf0e16 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Fri, 27 Dec 2019 09:44:11 -0800 Subject: [PATCH 081/821] Extracting duplicate code to a method. Some cleanups --- .../structure/cluster/SubunitCluster.java | 79 +++++-------------- .../structure/cluster/SubunitClusterer.java | 8 +- .../structure/cluster/TestSubunitCluster.java | 10 +-- 3 files changed, 26 insertions(+), 71 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java index 24bea508a1..4a5356b842 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java @@ -325,51 +325,9 @@ public boolean mergeSequence(SubunitCluster other, SubunitClustererParameters pa } } - // Do a List intersection to find out which EQR columns to remove - List thisRemove = new ArrayList<>(); - List otherRemove = new ArrayList<>(); - - for (int t = 0; t < this.subunitEQR.get(this.representative).size(); t++) { - // If the index is aligned do nothing, otherwise mark as removing - if (!thisAligned.contains(this.subunitEQR.get(this.representative) - .get(t))) - thisRemove.add(t); - } - - for (int t = 0; t < other.subunitEQR.get(other.representative).size(); t++) { - // If the index is aligned do nothing, otherwise mark as removing - if (!otherAligned.contains(other.subunitEQR.get( - other.representative).get(t))) - otherRemove.add(t); - } - // Now remove unaligned columns, from end to start - Collections.sort(thisRemove); - Collections.reverse(thisRemove); - Collections.sort(otherRemove); - Collections.reverse(otherRemove); - - for (Integer column : thisRemove) { - for (List eqr : this.subunitEQR) { - eqr.remove(column); - } - } - - for (Integer column : otherRemove) { - for (List eqr : other.subunitEQR) { - eqr.remove(column); - } - } - - // The representative is the longest sequence - if (this.subunits.get(this.representative).size() < other.subunits.get( - other.representative).size()) - this.representative = other.representative + subunits.size(); - - this.subunits.addAll(other.subunits); - this.subunitEQR.addAll(other.subunitEQR); + updateEquivResidues(other, thisAligned, otherAligned); this.method = SubunitClustererMethod.SEQUENCE; - pseudoStoichiometric = !params.isHighConfidenceScores(sequenceIdentity,sequenceCoverage); return true; @@ -443,8 +401,8 @@ public boolean mergeStructure(SubunitCluster other, SubunitClustererParameters p // Merge clusters List> alignedRes = msa.getBlock(0).getAlignRes(); - List thisAligned = new ArrayList(); - List otherAligned = new ArrayList(); + List thisAligned = new ArrayList<>(); + List otherAligned = new ArrayList<>(); // Extract the aligned residues of both Subunit for (int p = 0; p < msa.length(); p++) { @@ -467,24 +425,30 @@ public boolean mergeStructure(SubunitCluster other, SubunitClustererParameters p } } + updateEquivResidues(other, thisAligned, otherAligned); + + this.method = SubunitClustererMethod.STRUCTURE; + pseudoStoichiometric = true; + + return true; + } + + private void updateEquivResidues(SubunitCluster other, List thisAligned, List otherAligned) { // Do a List intersection to find out which EQR columns to remove - List thisRemove = new ArrayList(); - List otherRemove = new ArrayList(); + List thisRemove = new ArrayList<>(); + List otherRemove = new ArrayList<>(); for (int t = 0; t < this.subunitEQR.get(this.representative).size(); t++) { // If the index is aligned do nothing, otherwise mark as removing - if (!thisAligned.contains(this.subunitEQR.get(this.representative) - .get(t))) + if (!thisAligned.contains(this.subunitEQR.get(this.representative).get(t))) thisRemove.add(t); } for (int t = 0; t < other.subunitEQR.get(other.representative).size(); t++) { // If the index is aligned do nothing, otherwise mark as removing - if (!otherAligned.contains(other.subunitEQR.get( - other.representative).get(t))) + if (!otherAligned.contains(other.subunitEQR.get(other.representative).get(t))) otherRemove.add(t); } - // Now remove unaligned columns, from end to start Collections.sort(thisRemove); Collections.reverse(thisRemove); @@ -504,17 +468,12 @@ public boolean mergeStructure(SubunitCluster other, SubunitClustererParameters p } // The representative is the longest sequence - if (this.subunits.get(this.representative).size() < other.subunits.get( - other.representative).size()) + if (this.subunits.get(this.representative).size() < other.subunits.get(other.representative).size()) this.representative = other.representative + subunits.size(); this.subunits.addAll(other.subunits); this.subunitEQR.addAll(other.subunitEQR); - this.method = SubunitClustererMethod.STRUCTURE; - pseudoStoichiometric = true; - - return true; } /** @@ -564,9 +523,9 @@ public boolean divideInternally(SubunitClustererParameters clusterParams) List> alignedRes = result.getMultipleAlignment() .getBlock(0).getAlignRes(); - List> columns = new ArrayList>(); + List> columns = new ArrayList<>(); for (int s = 0; s < alignedRes.size(); s++) - columns.add(new ArrayList(alignedRes.get(s).size())); + columns.add(new ArrayList<>(alignedRes.get(s).size())); // Extract the aligned columns of each repeat in the Subunit for (int col = 0; col < alignedRes.get(0).size(); col++) { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java index 7c61472574..266b7a3f3e 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java @@ -56,12 +56,8 @@ public static Stoichiometry cluster(Structure structure, return cluster(subunits, params); } - public static Stoichiometry cluster(List subunits, - SubunitClustererParameters params) { - - // The collection of clusters to return - List clusters = new ArrayList(); - + public static Stoichiometry cluster(List subunits, SubunitClustererParameters params) { + List clusters = new ArrayList<>(); if (subunits.size() == 0) return new Stoichiometry(clusters); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java index a44309719e..52c7e305b7 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java @@ -52,8 +52,8 @@ public class TestSubunitCluster { @Test public void testMergeIdentical() { - // Create an Atom Array of ploy-alanine - List atoms = new ArrayList(10); + // Create an Atom Array of poly-alanine + List atoms = new ArrayList<>(10); for (int i = 0; i < 10; i++) { Group g = new AminoAcidImpl(); g.setPDBName("ALA"); @@ -79,7 +79,7 @@ public void testMergeIdentical() { assertEquals(sc1.length(), 10); // Create an Atom Array of poly-glycine - List atoms2 = new ArrayList(10); + List atoms2 = new ArrayList<>(10); for (int i = 0; i < 10; i++) { Group g = new AminoAcidImpl(); g.setPDBName("GLY"); @@ -112,7 +112,7 @@ public void testMergeIdentical() { public void testMergeSequence() throws CompoundNotFoundException { // Create an Atom Array of ploy-alanine - List atoms = new ArrayList(100); + List atoms = new ArrayList<>(100); for (int i = 0; i < 100; i++) { Group g = new AminoAcidImpl(); g.setPDBName("ALA"); @@ -163,7 +163,7 @@ public void testMergeSequence() throws CompoundNotFoundException { assertEquals(sc1.length(), 100); // Create an Atom Array of 9 glycine and 91 alanine - List atoms3 = new ArrayList(100); + List atoms3 = new ArrayList<>(100); for (int i = 0; i < 9; i++) { Group g = new AminoAcidImpl(); g.setPDBName("GLY"); From f3515a7e18c7ba6ca22590d8eae000897f602bf0 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sun, 5 Jan 2020 09:15:34 -0800 Subject: [PATCH 082/821] Introduced optimization: now if switch is provided subunit clustering uses entity id infor. Some tests are failing --- .../structure/cluster/SubunitCluster.java | 65 ++++++++++++++++++- .../structure/cluster/SubunitClusterer.java | 13 +++- .../cluster/SubunitClustererParameters.java | 18 +++++ 3 files changed, 94 insertions(+), 2 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java index 4a5356b842..ec051df33f 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java @@ -31,6 +31,8 @@ import org.biojava.nbio.core.sequence.ProteinSequence; import org.biojava.nbio.core.sequence.compound.AminoAcidCompound; import org.biojava.nbio.structure.Atom; +import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.align.StructureAlignment; import org.biojava.nbio.structure.align.StructureAlignmentFactory; @@ -45,6 +47,7 @@ import org.biojava.nbio.structure.align.multiple.MultipleAlignmentImpl; import org.biojava.nbio.structure.align.multiple.util.MultipleAlignmentScorer; import org.biojava.nbio.structure.align.multiple.util.ReferenceSuperimposer; +import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; import org.biojava.nbio.structure.symmetry.core.QuatSymmetrySubunits; import org.biojava.nbio.structure.symmetry.internal.CESymmParameters; import org.biojava.nbio.structure.symmetry.internal.CeSymm; @@ -178,6 +181,38 @@ public boolean isIdenticalTo(SubunitCluster other) { return thisSequence.equals(otherSequence); } + /** + * Tells whether the other SubunitCluster contains exactly the same Subunit. + * This is checked by equality of their entity identifiers if they are present. + * + * @param other + * SubunitCluster + * @return true if the SubunitClusters are identical, false otherwise + */ + public boolean isIdenticalByEntityIdTo(SubunitCluster other) { + Structure thisStruct = this.subunits.get(this.representative).getStructure(); + Structure otherStruct = other.subunits.get(other.representative).getStructure(); + String thisName = this.subunits.get(this.representative).getName(); + String otherName = other.subunits.get(this.representative).getName(); + Chain thisChain = thisStruct.getChain(thisName); + Chain otherChain = otherStruct.getChain(otherName); + if (thisChain == null || otherChain == null) { + logger.info("Can't determine entity ids of SubunitClusters {}-{}. Ignoring identity check by entity id", + this.subunits.get(this.representative).getName(), + other.subunits.get(other.representative).getName()); + return false; + } + if (thisChain.getEntityInfo() == null || otherChain.getEntityInfo() == null) { + logger.info("Can't determine entity ids of SubunitClusters {}-{}. Ignoring identity check by entity id", + this.subunits.get(this.representative).getName(), + other.subunits.get(other.representative).getName()); + return false; + } + int thisEntityId = thisChain.getEntityInfo().getMolId(); + int otherEntityId = otherChain.getEntityInfo().getMolId(); + return thisEntityId == otherEntityId; + } + /** * Merges the other SubunitCluster into this one if it contains exactly the * same Subunit. This is checked by {@link #isIdenticalTo(SubunitCluster)}. @@ -191,7 +226,35 @@ public boolean mergeIdentical(SubunitCluster other) { if (!isIdenticalTo(other)) return false; - logger.info("SubunitClusters are identical"); + logger.info("SubunitClusters {}-{} are identical in sequence", + this.subunits.get(this.representative).getName(), + other.subunits.get(other.representative).getName()); + + this.subunits.addAll(other.subunits); + this.subunitEQR.addAll(other.subunitEQR); + + return true; + } + + /** + * Merges the other SubunitCluster into this one if it contains exactly the + * same Subunit. This is checked by comparing the entity identifiers of the subunits + * if one can be found. + * Thus this only makes sense when the subunits are complete chains of a + * deposited PDB entry. I + * + * @param other + * SubunitCluster + * @return true if the SubunitClusters were merged, false otherwise + */ + public boolean mergeIdenticalByEntityId(SubunitCluster other) { + + if (!isIdenticalByEntityIdTo(other)) + return false; + + logger.info("SubunitClusters {}-{} belong to same entity. Assuming they are identical", + this.subunits.get(this.representative).getName(), + other.subunits.get(other.representative).getName()); this.subunits.addAll(other.subunits); this.subunitEQR.addAll(other.subunitEQR); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java index 266b7a3f3e..92e0c135c1 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java @@ -71,7 +71,18 @@ public static Stoichiometry cluster(List subunits, SubunitClustererPara for (int c1 = 0; c1 < clusters.size(); c1++) { for (int c2 = clusters.size() - 1; c2 > c1; c2--) { try { - if (clusters.get(c1).mergeSequence(clusters.get(c2), params)) { + if (params.isUseEntityIdForSeqIdentityDetermination() && + clusters.get(c1).mergeIdenticalByEntityId(clusters.get(c2))) { + // This we will only do if the switch is for entity id comparison is on. + // In some cases in can save enormous amounts of time, e.g. for clustering full + // chains of deposited PDB entries. For instance for 6NHJ: with pure alignments it + // takes ~ 6 hours, with entity id comparisons it takes 2 minutes. + clusters.remove(c2); + } else if (clusters.get(c1).mergeIdentical(clusters.get(c2))) { + // This always makes sense as an optimization: it's far cheaper to compare the sequence + // string than doing a full S-W alignment + clusters.remove(c2); + } else if (clusters.get(c1).mergeSequence(clusters.get(c2), params)) { clusters.remove(c2); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClustererParameters.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClustererParameters.java index 5704012494..f3abae6c3e 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClustererParameters.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClustererParameters.java @@ -45,6 +45,8 @@ public class SubunitClustererParameters implements Serializable { private double sequenceIdentityThreshold; private double sequenceCoverageThreshold = 0.75; + private boolean useEntityIdForSeqIdentityDetermination = false; + private double rmsdThreshold = 3.0; private double structureCoverageThreshold = 0.75; private double tmThreshold = 0.5; @@ -506,5 +508,21 @@ public boolean isHighConfidenceScores(double sequenceIdentity, double sequenceCo return sequenceIdentity>=hcSequenceIdentityLocal && sequenceCoverage >= hcSequenceCoverageLocal; } + /** + * Whether to use the entity id of subunits to infer that sequences are identical. + * Only applies if the {@link SubunitClustererMethod} is a sequence based one. + * @return + */ + public boolean isUseEntityIdForSeqIdentityDetermination() { + return useEntityIdForSeqIdentityDetermination; + } + /** + * Whether to use the entity id of subunits to infer that sequences are identical. + * Only applies if the {@link SubunitClustererMethod} is a sequence based one. + * @param useEntityIdForSeqIdentityDetermination the flag to be set + */ + public void setUseEntityIdForSeqIdentityDetermination(boolean useEntityIdForSeqIdentityDetermination) { + this.useEntityIdForSeqIdentityDetermination = useEntityIdForSeqIdentityDetermination; + } } From 47e4cfb039c06a9e92368c9af07b5d1d154d383b Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Tue, 7 Jan 2020 10:51:53 -0800 Subject: [PATCH 083/821] Reverted change that caused TestQsAlignExamples to fail --- .../org/biojava/nbio/structure/cluster/SubunitCluster.java | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java index ec051df33f..2ae2ccb83c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java @@ -518,14 +518,16 @@ private void updateEquivResidues(SubunitCluster other, List thisAligned Collections.sort(otherRemove); Collections.reverse(otherRemove); - for (Integer column : thisRemove) { + for (int t = 0; t < thisRemove.size(); t++) { for (List eqr : this.subunitEQR) { + int column = thisRemove.get(t); eqr.remove(column); } } - for (Integer column : otherRemove) { + for (int t = 0; t < otherRemove.size(); t++) { for (List eqr : other.subunitEQR) { + int column = otherRemove.get(t); eqr.remove(column); } } From 3b967b0da2d1eed31d6865da36e29f6cd85e2f88 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Tue, 7 Jan 2020 11:13:05 -0800 Subject: [PATCH 084/821] Using mergeIdentical breaks a test, reverting --- .../biojava/nbio/structure/cluster/SubunitClusterer.java | 6 +----- 1 file changed, 1 insertion(+), 5 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java index 92e0c135c1..6295f8fdf0 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClusterer.java @@ -74,14 +74,10 @@ public static Stoichiometry cluster(List subunits, SubunitClustererPara if (params.isUseEntityIdForSeqIdentityDetermination() && clusters.get(c1).mergeIdenticalByEntityId(clusters.get(c2))) { // This we will only do if the switch is for entity id comparison is on. - // In some cases in can save enormous amounts of time, e.g. for clustering full + // In some cases it can save enormous amounts of time, e.g. for clustering full // chains of deposited PDB entries. For instance for 6NHJ: with pure alignments it // takes ~ 6 hours, with entity id comparisons it takes 2 minutes. clusters.remove(c2); - } else if (clusters.get(c1).mergeIdentical(clusters.get(c2))) { - // This always makes sense as an optimization: it's far cheaper to compare the sequence - // string than doing a full S-W alignment - clusters.remove(c2); } else if (clusters.get(c1).mergeSequence(clusters.get(c2), params)) { clusters.remove(c2); } From ae2c3bdebefb616e005ce3b7d41c452bb1b4c066 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sun, 12 Jan 2020 10:20:57 -0800 Subject: [PATCH 085/821] Increasing the default num cells to explore in crystal reconstruction --- .../org/biojava/nbio/structure/xtal/CrystalBuilder.java | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/xtal/CrystalBuilder.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/xtal/CrystalBuilder.java index 5c8e2b2d7f..2bc6806b77 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/xtal/CrystalBuilder.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/xtal/CrystalBuilder.java @@ -59,8 +59,10 @@ public class CrystalBuilder { // is enormously long in comparison with the dimensions of the unit cell, some interfaces come at the 7th neighbor. // After a scan of the whole PDB (Oct 2013) using numCells=50, the highest one was 4jgc with // interfaces up to the 11th neighbor. Other high ones (9th neighbors) are 4jbm and 4k3t. - // We set the default value to 12 based on that (having not seen any difference in runtime) - public static final int DEF_NUM_CELLS = 12; + // We set the default value to 20 to be on the safe side. Runtime does not seem to be affected at all - JD 2020-01-12 + // Some good examples in this posting in CCP4: https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=CCP4BB;45b2755d.2001 + // in any case the 5m3h example in the posting seems to have contacts only up to the 11th neighbor. + public static final int DEF_NUM_CELLS = 20; /** * Default maximum distance between two chains to be considered an interface. From 6ac887746b1d7f7df93e7793e15d773557913961 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Mon, 20 Jan 2020 15:30:56 -0800 Subject: [PATCH 086/821] Extracting method in test --- .../structure/cluster/SubunitCluster.java | 2 +- .../structure/cluster/TestSubunitCluster.java | 97 ++++++++----------- 2 files changed, 39 insertions(+), 60 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java index 2ae2ccb83c..392a102e51 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java @@ -241,7 +241,7 @@ public boolean mergeIdentical(SubunitCluster other) { * same Subunit. This is checked by comparing the entity identifiers of the subunits * if one can be found. * Thus this only makes sense when the subunits are complete chains of a - * deposited PDB entry. I + * deposited PDB entry. * * @param other * SubunitCluster diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java index 52c7e305b7..c54085fbe8 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java @@ -53,16 +53,7 @@ public class TestSubunitCluster { public void testMergeIdentical() { // Create an Atom Array of poly-alanine - List atoms = new ArrayList<>(10); - for (int i = 0; i < 10; i++) { - Group g = new AminoAcidImpl(); - g.setPDBName("ALA"); - Atom a = new AtomImpl(); - a.setName(StructureTools.CA_ATOM_NAME); - g.addAtom(a); - atoms.add(a); - } - Atom[] reprAtoms = atoms.toArray(new Atom[atoms.size()]); + Atom[] reprAtoms = mockAtomArray(10, "ALA", -1, null); // Create two identical SubunitCluster SubunitCluster sc1 = new SubunitCluster(new Subunit(reprAtoms, @@ -79,16 +70,7 @@ public void testMergeIdentical() { assertEquals(sc1.length(), 10); // Create an Atom Array of poly-glycine - List atoms2 = new ArrayList<>(10); - for (int i = 0; i < 10; i++) { - Group g = new AminoAcidImpl(); - g.setPDBName("GLY"); - Atom a = new AtomImpl(); - a.setName(StructureTools.CA_ATOM_NAME); - g.addAtom(a); - atoms2.add(a); - } - Atom[] reprAtoms2 = atoms2.toArray(new Atom[atoms2.size()]); + Atom[] reprAtoms2 = mockAtomArray(10, "GLY", -1, null); SubunitCluster sc3 = new SubunitCluster(new Subunit(reprAtoms2, "subunit 1", null, null)); @@ -111,17 +93,8 @@ public void testMergeIdentical() { @Test public void testMergeSequence() throws CompoundNotFoundException { - // Create an Atom Array of ploy-alanine - List atoms = new ArrayList<>(100); - for (int i = 0; i < 100; i++) { - Group g = new AminoAcidImpl(); - g.setPDBName("ALA"); - Atom a = new AtomImpl(); - a.setName(StructureTools.CA_ATOM_NAME); - g.addAtom(a); - atoms.add(a); - } - Atom[] reprAtoms = atoms.toArray(new Atom[atoms.size()]); + // Create an Atom Array of poly-alanine + Atom[] reprAtoms = mockAtomArray(100, "ALA", -1, null); // Create two identical SubunitCluster SubunitCluster sc1 = new SubunitCluster(new Subunit(reprAtoms, @@ -140,16 +113,7 @@ public void testMergeSequence() throws CompoundNotFoundException { assertEquals(sc1.length(), 100); // Create an Atom Array of poly-glycine - List atoms2 = new ArrayList(100); - for (int i = 0; i < 100; i++) { - Group g = new AminoAcidImpl(); - g.setPDBName("GLY"); - Atom a = new AtomImpl(); - a.setName(StructureTools.CA_ATOM_NAME); - g.addAtom(a); - atoms2.add(a); - } - Atom[] reprAtoms2 = atoms2.toArray(new Atom[atoms2.size()]); + Atom[] reprAtoms2 = mockAtomArray(100, "GLY", -1, null); SubunitCluster sc3 = new SubunitCluster(new Subunit(reprAtoms2, "subunit 3", null, null)); @@ -163,24 +127,7 @@ public void testMergeSequence() throws CompoundNotFoundException { assertEquals(sc1.length(), 100); // Create an Atom Array of 9 glycine and 91 alanine - List atoms3 = new ArrayList<>(100); - for (int i = 0; i < 9; i++) { - Group g = new AminoAcidImpl(); - g.setPDBName("GLY"); - Atom a = new AtomImpl(); - a.setName(StructureTools.CA_ATOM_NAME); - g.addAtom(a); - atoms3.add(a); - } - for (int i = 0; i < 91; i++) { - Group g = new AminoAcidImpl(); - g.setPDBName("ALA"); - Atom a = new AtomImpl(); - a.setName(StructureTools.CA_ATOM_NAME); - g.addAtom(a); - atoms3.add(a); - } - Atom[] reprAtoms3 = atoms3.toArray(new Atom[atoms3.size()]); + Atom[] reprAtoms3 = mockAtomArray(9, "GLY", 91, "ALA"); SubunitCluster sc4 = new SubunitCluster(new Subunit(reprAtoms3, "subunit 4", null, null)); @@ -283,4 +230,36 @@ public void testDivideInternally() throws StructureException, IOException { assertEquals(sc1.getAlignedAtomsSubunit(0).length, sc1.getAlignedAtomsSubunit(1).length); } + + /** + * Create a mock atom array, with size1 residues of type1, followed by size2 residues of type2 + * @param size1 the number of residues of type1 to add + * @param type1 the 3 letter code of residue + * @param size2 the number of residues of type2 to add, if -1 none are added + * @param type2 the 3 letter code of residue, if null none are added + * @return the mock atom array + */ + private Atom[] mockAtomArray(int size1, String type1, int size2, String type2) { + List atoms = new ArrayList<>(size1 + size2); + for (int i = 0; i < size1; i++) { + Group g = new AminoAcidImpl(); + g.setPDBName(type1); + Atom a = new AtomImpl(); + a.setName(StructureTools.CA_ATOM_NAME); + g.addAtom(a); + atoms.add(a); + } + + if (size2 >= 0 && type2 !=null) { + for (int i = 0; i < size2; i++) { + Group g = new AminoAcidImpl(); + g.setPDBName(type2); + Atom a = new AtomImpl(); + a.setName(StructureTools.CA_ATOM_NAME); + g.addAtom(a); + atoms.add(a); + } + } + return atoms.toArray(new Atom[0]); + } } From d415e3c8ace1ef49db25429f60bd928fd5767124 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Mon, 20 Jan 2020 16:10:47 -0800 Subject: [PATCH 087/821] New test --- .../structure/cluster/TestSubunitCluster.java | 94 ++++++++++++++++++- 1 file changed, 93 insertions(+), 1 deletion(-) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java index c54085fbe8..3947372521 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java @@ -30,10 +30,14 @@ import org.biojava.nbio.structure.AminoAcidImpl; import org.biojava.nbio.structure.Atom; import org.biojava.nbio.structure.AtomImpl; +import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.ChainImpl; +import org.biojava.nbio.structure.EntityInfo; import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; +import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; import org.junit.Test; @@ -85,6 +89,47 @@ public void testMergeIdentical() { } + @Test + public void testMergeIdenticalByEntityId() { + + // Create 2 Atom Arrays, with same entity id + Atom[] reprAtoms1 = mockAtomArray("A", 1, 10, "ALA", -1, null); + Structure structure1 = reprAtoms1[0].getGroup().getChain().getStructure(); + + Atom[] reprAtoms2 = mockAtomArray("B", 1, 10, "PRO", -1, null); + Structure structure2 = reprAtoms2[0].getGroup().getChain().getStructure(); + + // Create two SubunitCluster with same entity id + SubunitCluster sc1 = new SubunitCluster(new Subunit(reprAtoms1, + "A", null, structure1)); + SubunitCluster sc2 = new SubunitCluster(new Subunit(reprAtoms2, + "B", null, structure2)); + + boolean merged = sc1.mergeIdenticalByEntityId(sc2); + + // Merged have to be true, and the merged SubunitCluster is sc1 + assertTrue(merged); + assertEquals(2, sc1.size()); + assertEquals(1, sc2.size()); + assertEquals(10, sc1.length()); + + // Create an Atom Array of poly-glycine with a different entity id + Atom[] reprAtoms3 = mockAtomArray("A", 2, 10, "GLY", -1, null); + Structure structure3 = reprAtoms2[0].getGroup().getChain().getStructure(); + + SubunitCluster sc3 = new SubunitCluster(new Subunit(reprAtoms3, + "A", null, structure3)); + + merged = sc1.mergeIdenticalByEntityId(sc3); + + // Merged have to be false, and Clusters result unmodified + assertFalse(merged); + assertEquals(2, sc1.size()); + assertEquals(1, sc2.size()); + assertEquals(10, sc1.length()); + + } + /** * Test {@link SubunitCluster#mergeSequence(SubunitCluster, SubunitClustererParameters)} * @@ -232,7 +277,8 @@ public void testDivideInternally() throws StructureException, IOException { } /** - * Create a mock atom array, with size1 residues of type1, followed by size2 residues of type2 + * Create a mock atom array, with size1 residues of type1, followed by size2 residues of type2. + * * @param size1 the number of residues of type1 to add * @param type1 the 3 letter code of residue * @param size2 the number of residues of type2 to add, if -1 none are added @@ -240,10 +286,55 @@ public void testDivideInternally() throws StructureException, IOException { * @return the mock atom array */ private Atom[] mockAtomArray(int size1, String type1, int size2, String type2) { + + List atoms = new ArrayList<>(size1 + size2); + for (int i = 0; i < size1; i++) { + Group g = new AminoAcidImpl(); + g.setPDBName(type1); + Atom a = new AtomImpl(); + a.setName(StructureTools.CA_ATOM_NAME); + g.addAtom(a); + atoms.add(a); + } + + if (size2 >= 0 && type2 !=null) { + for (int i = 0; i < size2; i++) { + Group g = new AminoAcidImpl(); + g.setPDBName(type2); + Atom a = new AtomImpl(); + a.setName(StructureTools.CA_ATOM_NAME); + g.addAtom(a); + atoms.add(a); + } + } + return atoms.toArray(new Atom[0]); + } + + /** + * Create a mock atom array, with size1 residues of type1, followed by size2 residues of type2. + * + * @param chainId a chain with this chain id will be set as parent of groups + * @param entityId an entity with this id will be set as parent of chain + * @param size1 the number of residues of type1 to add + * @param type1 the 3 letter code of residue + * @param size2 the number of residues of type2 to add, if -1 none are added + * @param type2 the 3 letter code of residue, if null none are added + * @return the mock atom array + */ + private Atom[] mockAtomArray(String chainId, int entityId, int size1, String type1, int size2, String type2) { + Chain chain = new ChainImpl(); + Structure structure = new StructureImpl(); + chain.setId(chainId); + structure.addChain(chain); + EntityInfo entityInfo = new EntityInfo(); + entityInfo.setMolId(entityId); + chain.setEntityInfo(entityInfo); + List atoms = new ArrayList<>(size1 + size2); for (int i = 0; i < size1; i++) { Group g = new AminoAcidImpl(); g.setPDBName(type1); + chain.addGroup(g); Atom a = new AtomImpl(); a.setName(StructureTools.CA_ATOM_NAME); g.addAtom(a); @@ -254,6 +345,7 @@ private Atom[] mockAtomArray(int size1, String type1, int size2, String type2) { for (int i = 0; i < size2; i++) { Group g = new AminoAcidImpl(); g.setPDBName(type2); + chain.addGroup(g); Atom a = new AtomImpl(); a.setName(StructureTools.CA_ATOM_NAME); g.addAtom(a); From 679f84081a8afe5f0b162fd9a9ac8c3ebb971de5 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Mon, 20 Jan 2020 16:18:09 -0800 Subject: [PATCH 088/821] Right order of params --- .../structure/cluster/TestSubunitCluster.java | 44 +++++++++---------- 1 file changed, 22 insertions(+), 22 deletions(-) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java index 3947372521..585c4f1d1c 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java @@ -69,9 +69,9 @@ public void testMergeIdentical() { // Merged have to be true, and the merged SubunitCluster is sc1 assertTrue(merged); - assertEquals(sc1.size(), 2); - assertEquals(sc2.size(), 1); - assertEquals(sc1.length(), 10); + assertEquals(2, sc1.size()); + assertEquals(1, sc2.size()); + assertEquals(10, sc1.length()); // Create an Atom Array of poly-glycine Atom[] reprAtoms2 = mockAtomArray(10, "GLY", -1, null); @@ -83,9 +83,9 @@ public void testMergeIdentical() { // Merged have to be false, and Clusters result inmodified assertFalse(merged); - assertEquals(sc1.size(), 2); - assertEquals(sc2.size(), 1); - assertEquals(sc1.length(), 10); + assertEquals(2, sc1.size()); + assertEquals(1, sc2.size()); + assertEquals(10, sc1.length()); } @@ -153,9 +153,9 @@ public void testMergeSequence() throws CompoundNotFoundException { // Merged have to be true, and the merged SubunitCluster is sc1 assertTrue(merged); - assertEquals(sc1.size(), 2); - assertEquals(sc2.size(), 1); - assertEquals(sc1.length(), 100); + assertEquals(2, sc1.size()); + assertEquals(1, sc2.size()); + assertEquals(100, sc1.length()); // Create an Atom Array of poly-glycine Atom[] reprAtoms2 = mockAtomArray(100, "GLY", -1, null); @@ -167,9 +167,9 @@ public void testMergeSequence() throws CompoundNotFoundException { // Merged have to be false, and Clusters result inmodified assertFalse(merged); - assertEquals(sc1.size(), 2); - assertEquals(sc2.size(), 1); - assertEquals(sc1.length(), 100); + assertEquals(2, sc1.size()); + assertEquals(1, sc2.size()); + assertEquals(100, sc1.length()); // Create an Atom Array of 9 glycine and 91 alanine Atom[] reprAtoms3 = mockAtomArray(9, "GLY", 91, "ALA"); @@ -181,9 +181,9 @@ public void testMergeSequence() throws CompoundNotFoundException { // Merged have to be true, and the merged SubunitCluster is sc1 assertTrue(merged); - assertEquals(sc1.size(), 3); - assertEquals(sc2.size(), 1); - assertEquals(sc1.length(), 91); + assertEquals(3, sc1.size()); + assertEquals(1, sc2.size()); + assertEquals(91, sc1.length()); } @@ -224,10 +224,10 @@ public void testMergeStructure() throws StructureException, IOException { // Merged have to be true, and the merged SubunitCluster is sc1 assertTrue(merged13); assertTrue(merged24); - assertEquals(sc1.size(), 2); - assertEquals(sc2.size(), 2); - assertEquals(sc1.length(), 141); - assertEquals(sc2.length(), 146); + assertEquals(2, sc1.size()); + assertEquals(2, sc2.size()); + assertEquals(141, sc1.length()); + assertEquals(146, sc2.length()); assertEquals(sc1.getAlignedAtomsSubunit(0).length, sc1.getAlignedAtomsSubunit(1).length); assertEquals(sc2.getAlignedAtomsSubunit(0).length, @@ -237,8 +237,8 @@ public void testMergeStructure() throws StructureException, IOException { boolean merged = sc1.mergeStructure(sc2, clustererParameters); assertTrue(merged); - assertEquals(sc1.size(), 4); - assertEquals(sc1.length(), 140, 2); + assertEquals(4, sc1.size()); + assertEquals(140, sc1.length(), 2); assertEquals(sc1.getAlignedAtomsSubunit(0).length, sc1.getAlignedAtomsSubunit(2).length); @@ -270,7 +270,7 @@ public void testDivideInternally() throws StructureException, IOException { // Divided has to be true, and Subunit length shorter than half assertTrue(divided); - assertEquals(sc1.size(), 2); + assertEquals(2, sc1.size()); assertTrue(sc1.length() < 178); assertEquals(sc1.getAlignedAtomsSubunit(0).length, sc1.getAlignedAtomsSubunit(1).length); From 4d6a504c95e173ad9cd56a8cd44689a8c0bf6884 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Tue, 21 Jan 2020 15:34:48 -0800 Subject: [PATCH 089/821] Now testing for subunit clustering with entity ids --- .../TestQuatSymmetryDetectorExamples.java | 24 ++++ .../structure/cluster/TestSubunitCluster.java | 108 +++++++++++------- 2 files changed, 89 insertions(+), 43 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java index 1b69ec3efc..5f3d0b4881 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java @@ -366,4 +366,28 @@ public void testPseudoIdentity95() throws IOException, StructureException { assertEquals(SubunitClustererMethod.SEQUENCE, symmetry.getSubunitClusters().get(0).getClustererMethod()); } + + @Test + public void testSymDetectionWithSubunitClusterByEntityId() throws IOException, StructureException { + Structure pdb = StructureIO.getStructure("BIO:1SMT:1"); + + SubunitClustererParameters cp = new SubunitClustererParameters(); +// cp.setOptimizeAlignment(false); +// cp.setSequenceIdentityThreshold(0.75); +// cp.setMinimumSequenceLength(3); +// cp.setAbsoluteMinimumSequenceLength(3); +// cp.setUseSequenceCoverage(false); +// cp.setUseStructureCoverage(false); +// cp.setUseRMSD(false); + cp.setUseEntityIdForSeqIdentityDetermination(true); + cp.setClustererMethod(SubunitClustererMethod.SEQUENCE); + QuatSymmetryParameters symmParams = new QuatSymmetryParameters(); +// symmParams.setOnTheFly(true); + QuatSymmetryResults symmetry = QuatSymmetryDetector.calcGlobalSymmetry( + pdb, symmParams, cp); + + // C2 symmetry, A2 stoichiometry + assertEquals("C2", symmetry.getSymmetry()); + assertEquals("A2", symmetry.getStoichiometry().toString()); + } } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java index 585c4f1d1c..4b6e55ee28 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/cluster/TestSubunitCluster.java @@ -34,6 +34,7 @@ import org.biojava.nbio.structure.ChainImpl; import org.biojava.nbio.structure.EntityInfo; import org.biojava.nbio.structure.Group; +import org.biojava.nbio.structure.ResidueNumber; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; @@ -93,17 +94,15 @@ public void testMergeIdentical() { public void testMergeIdenticalByEntityId() { // Create 2 Atom Arrays, with same entity id - Atom[] reprAtoms1 = mockAtomArray("A", 1, 10, "ALA", -1, null); - Structure structure1 = reprAtoms1[0].getGroup().getChain().getStructure(); - - Atom[] reprAtoms2 = mockAtomArray("B", 1, 10, "PRO", -1, null); - Structure structure2 = reprAtoms2[0].getGroup().getChain().getStructure(); + Structure structure = mockStructure(); + Atom[] reprAtoms1 = getAtomArray(structure.getChain("A")); + Atom[] reprAtoms2 = getAtomArray(structure.getChain("B")); // Create two SubunitCluster with same entity id SubunitCluster sc1 = new SubunitCluster(new Subunit(reprAtoms1, - "A", null, structure1)); + "A", null, structure)); SubunitCluster sc2 = new SubunitCluster(new Subunit(reprAtoms2, - "B", null, structure2)); + "B", null, structure)); boolean merged = sc1.mergeIdenticalByEntityId(sc2); @@ -111,14 +110,13 @@ public void testMergeIdenticalByEntityId() { assertTrue(merged); assertEquals(2, sc1.size()); assertEquals(1, sc2.size()); - assertEquals(10, sc1.length()); + assertEquals(9, sc1.length()); // Create an Atom Array of poly-glycine with a different entity id - Atom[] reprAtoms3 = mockAtomArray("A", 2, 10, "GLY", -1, null); - Structure structure3 = reprAtoms2[0].getGroup().getChain().getStructure(); + Atom[] reprAtoms3 = getAtomArray(structure.getChain("C")); SubunitCluster sc3 = new SubunitCluster(new Subunit(reprAtoms3, - "A", null, structure3)); + "C", null, structure)); merged = sc1.mergeIdenticalByEntityId(sc3); @@ -126,7 +124,7 @@ public void testMergeIdenticalByEntityId() { assertFalse(merged); assertEquals(2, sc1.size()); assertEquals(1, sc2.size()); - assertEquals(10, sc1.length()); + assertEquals(9, sc1.length()); } @@ -311,47 +309,71 @@ private Atom[] mockAtomArray(int size1, String type1, int size2, String type2) { } /** - * Create a mock atom array, with size1 residues of type1, followed by size2 residues of type2. - * - * @param chainId a chain with this chain id will be set as parent of groups - * @param entityId an entity with this id will be set as parent of chain - * @param size1 the number of residues of type1 to add - * @param type1 the 3 letter code of residue - * @param size2 the number of residues of type2 to add, if -1 none are added - * @param type2 the 3 letter code of residue, if null none are added - * @return the mock atom array + * Create a mock structure with 2 entities 1 (chains A, B) and 2 (chain C). + * @return a structure */ - private Atom[] mockAtomArray(String chainId, int entityId, int size1, String type1, int size2, String type2) { - Chain chain = new ChainImpl(); + private Structure mockStructure() { Structure structure = new StructureImpl(); - chain.setId(chainId); - structure.addChain(chain); - EntityInfo entityInfo = new EntityInfo(); - entityInfo.setMolId(entityId); - chain.setEntityInfo(entityInfo); + EntityInfo entity1 = new EntityInfo(); + entity1.setMolId(1); + EntityInfo entity2 = new EntityInfo(); + entity2.setMolId(2); + structure.addEntityInfo(entity1); + structure.addEntityInfo(entity2); + + Chain chainA = new ChainImpl(); + chainA.setId("A"); + Chain chainB = new ChainImpl(); + chainB.setId("B"); + entity1.addChain(chainA); + entity1.addChain(chainB); + Chain chainC = new ChainImpl(); + chainC.setId("C"); + entity2.addChain(chainC); + + structure.addChain(chainA); + structure.addChain(chainB); + structure.addChain(chainC); + + // entity 1: chain A 10 observed residues, chain B 9 observed residues (first unobserved) + List aGroups = getGroupList(10, "ALA", chainA); + chainA.setAtomGroups(new ArrayList<>(aGroups)); + chainA.setSeqResGroups(aGroups); + chainA.setEntityInfo(entity1); + + List bGroups = getGroupList(10, "ALA", chainB); + chainB.setAtomGroups(new ArrayList<>(bGroups.subList(1,10))); + chainB.setSeqResGroups(bGroups); + chainB.setEntityInfo(entity1); + + List cGroups = getGroupList(20, "GLY", chainC); + chainC.setAtomGroups(new ArrayList<>(cGroups)); + chainC.setSeqResGroups(cGroups); + chainC.setEntityInfo(entity2); + + return structure; + } - List atoms = new ArrayList<>(size1 + size2); - for (int i = 0; i < size1; i++) { + private List getGroupList(int size, String type, Chain chain) { + List list = new ArrayList<>(); + for (int i=0;i= 0 && type2 !=null) { - for (int i = 0; i < size2; i++) { - Group g = new AminoAcidImpl(); - g.setPDBName(type2); - chain.addGroup(g); - Atom a = new AtomImpl(); - a.setName(StructureTools.CA_ATOM_NAME); - g.addAtom(a); - atoms.add(a); - } + private Atom[] getAtomArray(Chain chain) { + Atom[] atoms = new Atom[chain.getAtomGroups().size()]; + for (int i = 0; i Date: Tue, 21 Jan 2020 15:37:36 -0800 Subject: [PATCH 090/821] Removing comments --- .../test/symmetry/TestQuatSymmetryDetectorExamples.java | 8 -------- 1 file changed, 8 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java index 5f3d0b4881..364a9e0b42 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java @@ -372,17 +372,9 @@ public void testSymDetectionWithSubunitClusterByEntityId() throws IOException, S Structure pdb = StructureIO.getStructure("BIO:1SMT:1"); SubunitClustererParameters cp = new SubunitClustererParameters(); -// cp.setOptimizeAlignment(false); -// cp.setSequenceIdentityThreshold(0.75); -// cp.setMinimumSequenceLength(3); -// cp.setAbsoluteMinimumSequenceLength(3); -// cp.setUseSequenceCoverage(false); -// cp.setUseStructureCoverage(false); -// cp.setUseRMSD(false); cp.setUseEntityIdForSeqIdentityDetermination(true); cp.setClustererMethod(SubunitClustererMethod.SEQUENCE); QuatSymmetryParameters symmParams = new QuatSymmetryParameters(); -// symmParams.setOnTheFly(true); QuatSymmetryResults symmetry = QuatSymmetryDetector.calcGlobalSymmetry( pdb, symmParams, cp); From fc543afa5a69309f4a08b9a109878ca4db000e34 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Tue, 21 Jan 2020 15:39:39 -0800 Subject: [PATCH 091/821] Fixing the cluster by entity id alignment issue. Now tests pass --- .../structure/cluster/SubunitCluster.java | 47 +++++++++++++++++-- 1 file changed, 43 insertions(+), 4 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java index 392a102e51..e270bcfe8a 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java @@ -32,6 +32,8 @@ import org.biojava.nbio.core.sequence.compound.AminoAcidCompound; import org.biojava.nbio.structure.Atom; import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.EntityInfo; +import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.align.StructureAlignment; @@ -252,12 +254,49 @@ public boolean mergeIdenticalByEntityId(SubunitCluster other) { if (!isIdenticalByEntityIdTo(other)) return false; + Subunit thisSub = this.subunits.get(this.representative); + Subunit otherSub = other.subunits.get(other.representative); logger.info("SubunitClusters {}-{} belong to same entity. Assuming they are identical", - this.subunits.get(this.representative).getName(), - other.subunits.get(other.representative).getName()); + thisSub.getName(), + otherSub.getName()); - this.subunits.addAll(other.subunits); - this.subunitEQR.addAll(other.subunitEQR); + List thisAligned = new ArrayList<>(); + List otherAligned = new ArrayList<>(); + + // we've merged by entity id, we can assume structure, chain and entity are available + Structure thisStruct = thisSub.getStructure(); + Structure otherStruct = otherSub.getStructure(); + String thisName = thisSub.getName(); + String otherName = otherSub.getName(); + Chain thisChain = thisStruct.getChain(thisName); + Chain otherChain = otherStruct.getChain(otherName); + EntityInfo entityInfo = thisChain.getEntityInfo(); + + // Extract the aligned residues of both Subunits + for (int thisIndex=0; thisIndex < thisSub.size(); thisIndex++) { + + Group g = thisSub.getRepresentativeAtoms()[thisIndex].getGroup(); + + int seqresIndex = entityInfo.getAlignedResIndex(g, thisChain); + + Group otherG = otherChain.getSeqResGroups().get(seqresIndex - 1); + + if (!otherChain.getAtomGroups().contains(otherG)) { + // skip residues that are unobserved in other sequence ("gaps" in the entity alignment) + continue; + } + + int otherIndex = otherChain.getAtomGroups().indexOf(otherG); + + // Only consider residues that are part of the SubunitCluster + if (this.subunitEQR.get(this.representative).contains(thisIndex) + && other.subunitEQR.get(other.representative).contains(otherIndex)) { + thisAligned.add(thisIndex); + otherAligned.add(otherIndex); + } + } + + updateEquivResidues(other, thisAligned, otherAligned); return true; } From 8b76e96a7af6b0118025b8a906b64de11b0d9693 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Tue, 21 Jan 2020 16:01:52 -0800 Subject: [PATCH 092/821] Some improvements --- .../biojava/nbio/structure/EntityInfo.java | 6 +-- .../structure/cluster/SubunitCluster.java | 40 +++++++++++++------ 2 files changed, 30 insertions(+), 16 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/EntityInfo.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/EntityInfo.java index b2438763f3..cc52262b12 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/EntityInfo.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/EntityInfo.java @@ -306,12 +306,12 @@ public List getChainIds() { * used and when all chains within the entity are numbered in the same way), but * in general they will be neither unique (because of insertion codes) nor aligned. *

- * @param g - * @param c + * @param g the group + * @param c the chain * @return the aligned residue index (1 to n), if no SEQRES groups are available at all then {@link ResidueNumber#getSeqNum()} * is returned as a fall-back, if the group is not found in the SEQRES groups then -1 is returned * for the given group and chain - * @throws IllegalArgumentException if the given Chain is not a member of this EnityInfo + * @throws IllegalArgumentException if the given Chain is not a member of this EntityInfo * @see Chain#getSeqResGroup(int) */ public int getAlignedResIndex(Group g, Chain c) { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java index e270bcfe8a..32235d0ab7 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java @@ -192,22 +192,35 @@ public boolean isIdenticalTo(SubunitCluster other) { * @return true if the SubunitClusters are identical, false otherwise */ public boolean isIdenticalByEntityIdTo(SubunitCluster other) { - Structure thisStruct = this.subunits.get(this.representative).getStructure(); - Structure otherStruct = other.subunits.get(other.representative).getStructure(); - String thisName = this.subunits.get(this.representative).getName(); - String otherName = other.subunits.get(this.representative).getName(); + Subunit thisSub = this.subunits.get(this.representative); + Subunit otherSub = other.subunits.get(other.representative); + String thisName = thisSub.getName(); + String otherName = otherSub.getName(); + + Structure thisStruct = thisSub.getStructure(); + Structure otherStruct = otherSub.getStructure(); + if (thisStruct == null || otherStruct == null) { + logger.info("SubunitClusters {}-{} have no referenced structures. Ignoring identity check by entity id", + thisName, + otherName); + return false; + } + if (thisStruct != otherStruct) { + // different object references: will not cluster even if entity id is same + return false; + } Chain thisChain = thisStruct.getChain(thisName); Chain otherChain = otherStruct.getChain(otherName); if (thisChain == null || otherChain == null) { logger.info("Can't determine entity ids of SubunitClusters {}-{}. Ignoring identity check by entity id", - this.subunits.get(this.representative).getName(), - other.subunits.get(other.representative).getName()); + thisName, + otherName); return false; } if (thisChain.getEntityInfo() == null || otherChain.getEntityInfo() == null) { logger.info("Can't determine entity ids of SubunitClusters {}-{}. Ignoring identity check by entity id", - this.subunits.get(this.representative).getName(), - other.subunits.get(other.representative).getName()); + thisName, + otherName); return false; } int thisEntityId = thisChain.getEntityInfo().getMolId(); @@ -256,18 +269,19 @@ public boolean mergeIdenticalByEntityId(SubunitCluster other) { Subunit thisSub = this.subunits.get(this.representative); Subunit otherSub = other.subunits.get(other.representative); + String thisName = thisSub.getName(); + String otherName = otherSub.getName(); + logger.info("SubunitClusters {}-{} belong to same entity. Assuming they are identical", - thisSub.getName(), - otherSub.getName()); + thisName, + otherName); List thisAligned = new ArrayList<>(); List otherAligned = new ArrayList<>(); - // we've merged by entity id, we can assume structure, chain and entity are available + // we've merged by entity id, we can assume structure, chain and entity are available (checked in isIdenticalByEntityIdTo()) Structure thisStruct = thisSub.getStructure(); Structure otherStruct = otherSub.getStructure(); - String thisName = thisSub.getName(); - String otherName = otherSub.getName(); Chain thisChain = thisStruct.getChain(thisName); Chain otherChain = otherStruct.getChain(otherName); EntityInfo entityInfo = thisChain.getEntityInfo(); From d851f6078b50e7fbe5ffde3ff23d7bf16d4a211a Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Tue, 21 Jan 2020 16:40:53 -0800 Subject: [PATCH 093/821] More checks and a warning in case no aligned atoms found. Also a few minor fixes --- .../TestQuatSymmetryDetectorExamples.java | 8 ++++++++ .../structure/cluster/SubunitCluster.java | 11 +++++++++- .../symmetry/core/C2RotationSolver.java | 7 +++---- .../symmetry/core/QuatSymmetrySubunits.java | 20 +++++++++---------- 4 files changed, 30 insertions(+), 16 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java index 364a9e0b42..550fb542a4 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java @@ -32,6 +32,7 @@ import org.biojava.nbio.structure.cluster.SubunitClusterer; import org.biojava.nbio.structure.cluster.SubunitClustererMethod; import org.biojava.nbio.structure.cluster.SubunitClustererParameters; +import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.symmetry.core.QuatSymmetryDetector; import org.biojava.nbio.structure.symmetry.core.QuatSymmetryParameters; import org.biojava.nbio.structure.symmetry.core.QuatSymmetryResults; @@ -369,6 +370,13 @@ public void testPseudoIdentity95() throws IOException, StructureException { @Test public void testSymDetectionWithSubunitClusterByEntityId() throws IOException, StructureException { + AtomCache cache = new AtomCache(); + cache.setUseMmtf(false); + cache.setUseMmCif(true); + FileParsingParameters params = new FileParsingParameters(); + params.setAlignSeqRes(true); + cache.setFileParsingParams(params); + StructureIO.setAtomCache(cache); Structure pdb = StructureIO.getStructure("BIO:1SMT:1"); SubunitClustererParameters cp = new SubunitClustererParameters(); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java index 32235d0ab7..986f092775 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java @@ -293,6 +293,11 @@ public boolean mergeIdenticalByEntityId(SubunitCluster other) { int seqresIndex = entityInfo.getAlignedResIndex(g, thisChain); + if (seqresIndex == -1) { + // this might mean that FileParsingParameters.setAlignSeqRes() wasn't set to true during parsing + continue; + } + Group otherG = otherChain.getSeqResGroups().get(seqresIndex - 1); if (!otherChain.getAtomGroups().contains(otherG)) { @@ -310,6 +315,10 @@ public boolean mergeIdenticalByEntityId(SubunitCluster other) { } } + if (thisAligned.size() == 0 && otherAligned.size() == 0) { + logger.warn("No equivalent aligned atoms found between SubunitClusters {}-{} via entity seqres alignment. Is FileParsingParameters.setAlignSeqRes() set?", thisName, otherName); + } + updateEquivResidues(other, thisAligned, otherAligned); return true; @@ -743,7 +752,7 @@ public SubunitClustererMethod getClustererMethod() { */ public List getAlignedAtomsSubunits() { - List alignedAtoms = Collections.emptyList(); + List alignedAtoms = new ArrayList<>(); // Loop through all subunits and add the aligned positions for (int s = 0; s < subunits.size(); s++) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/symmetry/core/C2RotationSolver.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/symmetry/core/C2RotationSolver.java index 0d81d4ce5b..90b3a3f6e1 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/symmetry/core/C2RotationSolver.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/symmetry/core/C2RotationSolver.java @@ -39,8 +39,8 @@ * @author Peter */ public class C2RotationSolver implements QuatSymmetrySolver { - private QuatSymmetrySubunits subunits = null; - private QuatSymmetryParameters parameters = null; + private QuatSymmetrySubunits subunits; + private QuatSymmetryParameters parameters; private Vector3d centroid = new Vector3d(); private Matrix4d centroidInverse = new Matrix4d(); @@ -132,7 +132,7 @@ private void solve() { } private void addEOperation() { - List permutation = Arrays.asList(new Integer[]{0,1}); + List permutation = Arrays.asList(0,1); Matrix4d transformation = new Matrix4d(); transformation.setIdentity(); combineWithTranslation(transformation); @@ -145,7 +145,6 @@ private void addEOperation() { /** * Adds translational component to rotation matrix - * @param rotTrans * @param rotation * @return */ diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/symmetry/core/QuatSymmetrySubunits.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/symmetry/core/QuatSymmetrySubunits.java index 92b2786e8c..27d16cd6fe 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/symmetry/core/QuatSymmetrySubunits.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/symmetry/core/QuatSymmetrySubunits.java @@ -21,6 +21,7 @@ package org.biojava.nbio.structure.symmetry.core; import org.biojava.nbio.structure.Atom; +import org.biojava.nbio.structure.Calc; import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.cluster.SubunitCluster; import org.biojava.nbio.structure.geometry.CalcPoint; @@ -34,7 +35,7 @@ import java.util.stream.Collectors; /** - * A bean to represent information about the set of {@link Subunit} being + * A bean to represent information about the set of {@link org.biojava.nbio.structure.cluster.Subunit}s being * considered for symmetry detection. This class is a helper for the * {@link QuatSymmetryDetector} algorithm, since it calculates and caches the * {@link MomentsOfInertia} and the centroids of each Subunit. @@ -45,13 +46,13 @@ */ public class QuatSymmetrySubunits { - private List caCoords = new ArrayList(); - private List originalCenters = new ArrayList(); - private List centers = new ArrayList(); - private List unitVectors = new ArrayList(); + private List caCoords = new ArrayList<>(); + private List originalCenters = new ArrayList<>(); + private List centers = new ArrayList<>(); + private List unitVectors = new ArrayList<>(); - private List folds = new ArrayList(); - private List clusterIds = new ArrayList(); + private List folds = new ArrayList<>(); + private List clusterIds = new ArrayList<>(); private List clusters; private Point3d centroid; @@ -75,10 +76,7 @@ public QuatSymmetrySubunits(List clusters) { clusterIds.add(c); Atom[] atoms = clusters.get(c).getAlignedAtomsSubunit(s); - // Convert atoms to points - Point3d[] points = new Point3d[atoms.length]; - for (int i = 0; i < atoms.length; i++) - points[i] = atoms[i].getCoordsAsPoint3d(); + Point3d[] points = Calc.atomsToPoints(atoms); caCoords.add(points); } From f54b62595cb799481a7e2aef3212388c74929335 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Tue, 21 Jan 2020 16:48:24 -0800 Subject: [PATCH 094/821] Small optimization --- .../biojava/nbio/structure/cluster/SubunitCluster.java | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java index 986f092775..d73d747cb6 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitCluster.java @@ -298,15 +298,15 @@ public boolean mergeIdenticalByEntityId(SubunitCluster other) { continue; } + // note the seqresindex is 1-based Group otherG = otherChain.getSeqResGroups().get(seqresIndex - 1); - if (!otherChain.getAtomGroups().contains(otherG)) { - // skip residues that are unobserved in other sequence ("gaps" in the entity alignment) + int otherIndex = otherChain.getAtomGroups().indexOf(otherG); + if (otherIndex == -1) { + // skip residues that are unobserved in other sequence ("gaps" in the entity SEQRES alignment) continue; } - int otherIndex = otherChain.getAtomGroups().indexOf(otherG); - // Only consider residues that are part of the SubunitCluster if (this.subunitEQR.get(this.representative).contains(thisIndex) && other.subunitEQR.get(other.representative).contains(otherIndex)) { @@ -316,7 +316,7 @@ public boolean mergeIdenticalByEntityId(SubunitCluster other) { } if (thisAligned.size() == 0 && otherAligned.size() == 0) { - logger.warn("No equivalent aligned atoms found between SubunitClusters {}-{} via entity seqres alignment. Is FileParsingParameters.setAlignSeqRes() set?", thisName, otherName); + logger.warn("No equivalent aligned atoms found between SubunitClusters {}-{} via entity SEQRES alignment. Is FileParsingParameters.setAlignSeqRes() set?", thisName, otherName); } updateEquivResidues(other, thisAligned, otherAligned); From ed322e387cd46344a7864ac58b60c38df7c37633 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Tue, 21 Jan 2020 17:12:29 -0800 Subject: [PATCH 095/821] Docs, a new StructureTools method and a new performance test (ignored) --- .../TestQuatSymmetryDetectorExamples.java | 41 ++++++++++++++++++- .../nbio/structure/StructureTools.java | 30 +++++++++++--- .../cluster/SubunitClustererParameters.java | 6 ++- 3 files changed, 70 insertions(+), 7 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java index 550fb542a4..0d094a059a 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java @@ -28,15 +28,19 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; +import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.cluster.SubunitClusterer; import org.biojava.nbio.structure.cluster.SubunitClustererMethod; import org.biojava.nbio.structure.cluster.SubunitClustererParameters; import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; +import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; import org.biojava.nbio.structure.symmetry.core.QuatSymmetryDetector; import org.biojava.nbio.structure.symmetry.core.QuatSymmetryParameters; import org.biojava.nbio.structure.symmetry.core.QuatSymmetryResults; import org.biojava.nbio.structure.symmetry.core.Stoichiometry; +import org.junit.Ignore; import org.junit.Test; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -369,7 +373,7 @@ public void testPseudoIdentity95() throws IOException, StructureException { } @Test - public void testSymDetectionWithSubunitClusterByEntityId() throws IOException, StructureException { + public void testSymDetectionWithClusteringByEntityId() throws IOException, StructureException { AtomCache cache = new AtomCache(); cache.setUseMmtf(false); cache.setUseMmCif(true); @@ -390,4 +394,39 @@ public void testSymDetectionWithSubunitClusterByEntityId() throws IOException, S assertEquals("C2", symmetry.getSymmetry()); assertEquals("A2", symmetry.getStoichiometry().toString()); } + + /** + * A performance test that demonstrates how the SubunitClustererParameters.setUseEntityIdForSeqIdentityDetermination() + * has a dramatic effect in runtime versus doing alignments. + * This takes minutes with the parameter on, but hours without the parameter. + */ + @Ignore("This is a performance test to be run manually") + @Test + public void testSymDetectionPerformanceLargeCapsid() throws IOException, StructureException { + AtomCache cache = new AtomCache(); + cache.setUseMmtf(false); + cache.setUseMmCif(true); + FileParsingParameters params = new FileParsingParameters(); + params.setAlignSeqRes(true); + params.setParseBioAssembly(true); + cache.setFileParsingParams(params); + StructureIO.setAtomCache(cache); + + // making sure we remove all atoms but representative before we expand, otherwise memory requirements are huge + Structure au = StructureIO.getStructure("6NHJ"); + StructureTools.reduceToRepresentativeAtoms(au); + BiologicalAssemblyBuilder builder = new BiologicalAssemblyBuilder(); + List transforms = au.getPDBHeader().getBioAssemblies().get(1).getTransforms(); + Structure pdb =builder.rebuildQuaternaryStructure(au, transforms, true, false); + + SubunitClustererParameters cp = new SubunitClustererParameters(); + cp.setUseEntityIdForSeqIdentityDetermination(true); // this is the parameter that makes this fast + cp.setClustererMethod(SubunitClustererMethod.SEQUENCE); + QuatSymmetryParameters symmParams = new QuatSymmetryParameters(); + QuatSymmetryResults symmetry = QuatSymmetryDetector.calcGlobalSymmetry( + pdb, symmParams, cp); + + assertEquals("I", symmetry.getSymmetry()); + assertEquals("A960B960C600D480E300", symmetry.getStoichiometry().toString()); + } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureTools.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureTools.java index c62180176c..9ba8170ab5 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureTools.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureTools.java @@ -1264,7 +1264,7 @@ public static final Character get1LetterCode(String groupCode3) { * 3-character code for a group. * */ - public static final boolean isNucleotide(String groupCode3) { + public static boolean isNucleotide(String groupCode3) { String code = groupCode3.trim(); return nucleotides30.containsKey(code) || nucleotides23.containsKey(code); @@ -1283,7 +1283,7 @@ public static final boolean isNucleotide(String groupCode3) { * @deprecated Use {@link StructureIdentifier#reduce(Structure)} instead (v. 4.2.0) */ @Deprecated - public static final Structure getReducedStructure(Structure s, + public static Structure getReducedStructure(Structure s, String chainId) throws StructureException { // since we deal here with structure alignments, // only use Model 1... @@ -1338,7 +1338,7 @@ public static final Structure getReducedStructure(Structure s, return newS; } - public static final String convertAtomsToSeq(Atom[] atoms) { + public static String convertAtomsToSeq(Atom[] atoms) { StringBuilder buf = new StringBuilder(); Group prevGroup = null; @@ -1374,7 +1374,7 @@ public static final String convertAtomsToSeq(Atom[] atoms) { * @throws StructureException * if the group cannot be found. */ - public static final Group getGroupByPDBResidueNumber(Structure struc, + public static Group getGroupByPDBResidueNumber(Structure struc, ResidueNumber pdbResNum) throws StructureException { if (struc == null || pdbResNum == null) { throw new IllegalArgumentException("Null argument(s)."); @@ -1447,7 +1447,7 @@ public static AtomContactSet getAtomsInContact(Chain chain, double cutoff) { * @param chain * @param cutoff * @return - * @see {@link #getRepresentativeAtomsInContact(Chain, double)} + * @see #getRepresentativeAtomsInContact(Chain, double) */ public static AtomContactSet getAtomsCAInContact(Chain chain, double cutoff) { Grid grid = new Grid(cutoff); @@ -1921,4 +1921,24 @@ private static String replaceFirstChar(String name, char c, char d) { return name; } + /** + * Remove all atoms but the representative atoms (C alphas or phosphates) from the given structure. + * @param structure the structure + * @since 5.4.0 + */ + public static void reduceToRepresentativeAtoms(Structure structure) { + for (int modelIdx = 0; modelIdx atoms = g.getAtoms(); + if (g.isAminoAcid()) { + atoms.removeIf(a->!a.getName().equals(CA_ATOM_NAME)); + } else if (g.isNucleotide()) { + atoms.removeIf(a->!a.getName().equals(NUCLEOTIDE_REPRESENTATIVE)); + } + // else we keep all other atoms. We are concerned only about aminoacids and nucleotides that make up the bulk of the structures + } + } + } + } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClustererParameters.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClustererParameters.java index f3abae6c3e..4224c76d0c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClustererParameters.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/cluster/SubunitClustererParameters.java @@ -511,7 +511,8 @@ public boolean isHighConfidenceScores(double sequenceIdentity, double sequenceCo /** * Whether to use the entity id of subunits to infer that sequences are identical. * Only applies if the {@link SubunitClustererMethod} is a sequence based one. - * @return + * @return the flag + * @since 5.4.0 */ public boolean isUseEntityIdForSeqIdentityDetermination() { return useEntityIdForSeqIdentityDetermination; @@ -520,7 +521,10 @@ public boolean isUseEntityIdForSeqIdentityDetermination() { /** * Whether to use the entity id of subunits to infer that sequences are identical. * Only applies if the {@link SubunitClustererMethod} is a sequence based one. + * Note this requires {@link org.biojava.nbio.structure.io.FileParsingParameters#setAlignSeqRes(boolean)} to be + * set to true. * @param useEntityIdForSeqIdentityDetermination the flag to be set + * @since 5.4.0 */ public void setUseEntityIdForSeqIdentityDetermination(boolean useEntityIdForSeqIdentityDetermination) { this.useEntityIdForSeqIdentityDetermination = useEntityIdForSeqIdentityDetermination; From f779dc3d32958ca5a717a40129f73c20acca47b7 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Thu, 23 Jan 2020 11:56:24 -0800 Subject: [PATCH 096/821] Docs --- .../symmetry/TestQuatSymmetryDetectorExamples.java | 11 ++++++++--- 1 file changed, 8 insertions(+), 3 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java index 0d094a059a..a5cd0a9fb4 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java @@ -398,7 +398,6 @@ public void testSymDetectionWithClusteringByEntityId() throws IOException, Struc /** * A performance test that demonstrates how the SubunitClustererParameters.setUseEntityIdForSeqIdentityDetermination() * has a dramatic effect in runtime versus doing alignments. - * This takes minutes with the parameter on, but hours without the parameter. */ @Ignore("This is a performance test to be run manually") @Test @@ -413,14 +412,20 @@ public void testSymDetectionPerformanceLargeCapsid() throws IOException, Structu StructureIO.setAtomCache(cache); // making sure we remove all atoms but representative before we expand, otherwise memory requirements are huge + // 6Q1F is another good example Structure au = StructureIO.getStructure("6NHJ"); StructureTools.reduceToRepresentativeAtoms(au); BiologicalAssemblyBuilder builder = new BiologicalAssemblyBuilder(); List transforms = au.getPDBHeader().getBioAssemblies().get(1).getTransforms(); - Structure pdb =builder.rebuildQuaternaryStructure(au, transforms, true, false); + Structure pdb = builder.rebuildQuaternaryStructure(au, transforms, true, false); SubunitClustererParameters cp = new SubunitClustererParameters(); - cp.setUseEntityIdForSeqIdentityDetermination(true); // this is the parameter that makes this fast + + // This is the parameter that makes this fast, set it to false to see the difference. + // As of git commit ed322e387cd46344a7864a, the difference in runtime is not that huge: + // 2 minutes with true, 10 minutes with false. I observed a much larger difference before, but can't reproduce anymore - JD 2020-01-23 + cp.setUseEntityIdForSeqIdentityDetermination(true); + cp.setClustererMethod(SubunitClustererMethod.SEQUENCE); QuatSymmetryParameters symmParams = new QuatSymmetryParameters(); QuatSymmetryResults symmetry = QuatSymmetryDetector.calcGlobalSymmetry( From 3747377ea45e5b66c97e5cbfcdf30183d871a33d Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sat, 25 Jan 2020 10:38:25 -0800 Subject: [PATCH 097/821] Initial implementation and tests --- .../test/contact/TestInterfaceFinder.java | 43 ++++++ .../nbio/structure/StructureTools.java | 14 +- .../structure/contact/InterfaceFinder.java | 59 +++++++++ .../contact/TestInterfaceFinder.java | 123 ++++++++++++++++++ 4 files changed, 232 insertions(+), 7 deletions(-) create mode 100644 biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java create mode 100644 biojava-structure/src/test/java/org/biojava/nbio/structure/contact/TestInterfaceFinder.java diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java new file mode 100644 index 0000000000..b7e346437b --- /dev/null +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java @@ -0,0 +1,43 @@ +package org.biojava.nbio.structure.test.contact; + +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureIO; +import org.biojava.nbio.structure.contact.AtomContact; +import org.biojava.nbio.structure.contact.AtomContactSet; +import org.biojava.nbio.structure.contact.InterfaceFinder; +import org.biojava.nbio.structure.contact.Pair; +import org.biojava.nbio.structure.contact.StructureInterface; +import org.biojava.nbio.structure.contact.StructureInterfaceList; +import org.junit.Test; + +import java.io.IOException; +import java.util.HashSet; +import java.util.Set; + +import static org.junit.Assert.assertEquals; + +public class TestInterfaceFinder { + + @Test + public void testGetAllInterfaces() throws StructureException, IOException { + Structure s = StructureIO.getStructure("3hbx"); + InterfaceFinder finder = new InterfaceFinder(s); + + StructureInterfaceList list = finder.getAllInterfaces(); + + assertEquals(12, list.size()); + + Set> unique = new HashSet<>(); + + for (StructureInterface interf : list) { + System.out.println("Interface " + interf.getMoleculeIds()); + AtomContactSet set = interf.getContacts(); + System.out.println("Number of contacts: " + set.size()); + + unique.add(interf.getMoleculeIds()); + + } + assertEquals(12, unique.size()); + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureTools.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureTools.java index c62180176c..1142602038 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureTools.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureTools.java @@ -474,7 +474,7 @@ public static List getUnalignedGroups(Atom[] ca) { * @see StructureTools#DEFAULT_LIGAND_PROXIMITY_CUTOFF */ public static List getLigandsByProximity(Collection target, Atom[] query, double cutoff) { - // Geometric hashing of the reduced structure + // Spatial hashing of the reduced structure Grid grid = new Grid(cutoff); grid.addAtoms(query); @@ -1387,7 +1387,7 @@ public static final Group getGroupByPDBResidueNumber(Structure struc, /** * Returns the set of intra-chain contacts for the given chain for given - * atom names, i.e. the contact map. Uses a geometric hashing algorithm that + * atom names, i.e. the contact map. Uses a spatial hashing algorithm that * speeds up the calculation without need of full distance matrix. The * parsing mode {@link FileParsingParameters#setAlignSeqRes(boolean)} needs * to be set to true for this to work. @@ -1422,7 +1422,7 @@ public static AtomContactSet getAtomsInContact(Chain chain, /** * Returns the set of intra-chain contacts for the given chain for all non-H - * atoms of non-hetatoms, i.e. the contact map. Uses a geometric hashing + * atoms of non-hetatoms, i.e. the contact map. Uses a spatial hashing * algorithm that speeds up the calculation without need of full distance * matrix. The parsing mode * {@link FileParsingParameters#setAlignSeqRes(boolean)} needs to be set to @@ -1439,7 +1439,7 @@ public static AtomContactSet getAtomsInContact(Chain chain, double cutoff) { /** * Returns the set of intra-chain contacts for the given chain for C-alpha * atoms (including non-standard aminoacids appearing as HETATM groups), - * i.e. the contact map. Uses a geometric hashing algorithm that speeds up + * i.e. the contact map. Uses a spatial hashing algorithm that speeds up * the calculation without need of full distance matrix. The parsing mode * {@link FileParsingParameters#setAlignSeqRes(boolean)} needs to be set to * true for this to work. @@ -1462,7 +1462,7 @@ public static AtomContactSet getAtomsCAInContact(Chain chain, double cutoff) { /** * Returns the set of intra-chain contacts for the given chain for C-alpha * or C3' atoms (including non-standard aminoacids appearing as HETATM - * groups), i.e. the contact map. Uses a geometric hashing algorithm that + * groups), i.e. the contact map. Uses a spatial hashing algorithm that * speeds up the calculation without need of full distance matrix. * * @param chain @@ -1483,7 +1483,7 @@ public static AtomContactSet getRepresentativeAtomsInContact(Chain chain, /** * Returns the set of inter-chain contacts between the two given chains for - * the given atom names. Uses a geometric hashing algorithm that speeds up + * the given atom names. Uses a spatial hashing algorithm that speeds up * the calculation without need of full distance matrix. The parsing mode * {@link FileParsingParameters#setAlignSeqRes(boolean)} needs to be set to * true for this to work. @@ -1518,7 +1518,7 @@ public static AtomContactSet getAtomsInContact(Chain chain1, Chain chain2, /** * Returns the set of inter-chain contacts between the two given chains for - * all non-H atoms. Uses a geometric hashing algorithm that speeds up the + * all non-H atoms. Uses a spatial hashing algorithm that speeds up the * calculation without need of full distance matrix. The parsing mode * {@link FileParsingParameters#setAlignSeqRes(boolean)} needs to be set to * true for this to work. diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java new file mode 100644 index 0000000000..4128e95902 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java @@ -0,0 +1,59 @@ +package org.biojava.nbio.structure.contact; + +import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.StructureTools; +import org.biojava.nbio.structure.xtal.CrystalTransform; +import org.biojava.nbio.structure.xtal.SpaceGroup; + +import java.util.List; + +public class InterfaceFinder { + + public static final double DEFAULT_CONTACT_CUTOFF = 6; + + private static final CrystalTransform IDENTITY_TRANSFORM = new CrystalTransform(SpaceGroup.parseSpaceGroup("P1")); + private static final boolean INCLUDE_HETATOMS = true; + + private Structure structure; + private double cutoff; + + public InterfaceFinder(Structure structure) { + this.structure = structure; + this.cutoff = DEFAULT_CONTACT_CUTOFF; + } + + public void setCutoff(double cutoff) { + this.cutoff = cutoff; + } + + public StructureInterfaceList getAllInterfaces() { + StructureInterfaceList list = new StructureInterfaceList(); + + List polyChains = structure.getPolyChains(); + for (int i = 0; i0) { + interf = new StructureInterface( + StructureTools.getAllAtomArray(chain1), StructureTools.getAllAtomArray(chain2), + chain1.getName(), chain2.getName(), + graph, + IDENTITY_TRANSFORM, IDENTITY_TRANSFORM); + } + + return interf; + } +} diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/contact/TestInterfaceFinder.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/contact/TestInterfaceFinder.java new file mode 100644 index 0000000000..7970b071fd --- /dev/null +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/contact/TestInterfaceFinder.java @@ -0,0 +1,123 @@ +package org.biojava.nbio.structure.contact; + +import org.biojava.nbio.structure.AminoAcidImpl; +import org.biojava.nbio.structure.Atom; +import org.biojava.nbio.structure.AtomImpl; +import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.ChainImpl; +import org.biojava.nbio.structure.EntityInfo; +import org.biojava.nbio.structure.Group; +import org.biojava.nbio.structure.ResidueNumber; +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.StructureImpl; +import org.biojava.nbio.structure.StructureTools; +import org.junit.Test; +import static org.junit.Assert.*; + +import javax.vecmath.Point3d; +import java.util.ArrayList; +import java.util.HashSet; +import java.util.List; +import java.util.Set; + +public class TestInterfaceFinder { + + @Test + public void testGetAllInterfaces() { + Structure s = mockStructure(); + InterfaceFinder finder = new InterfaceFinder(s); + + StructureInterfaceList list = finder.getAllInterfaces(); + + assertEquals(3, list.size()); + + Set> unique = new HashSet<>(); + + for (StructureInterface interf : list) { + System.out.println("Interface " + interf.getMoleculeIds()); + AtomContactSet set = interf.getContacts(); + for (AtomContact c : set) + System.out.println(c.getPair() +" - " + c.getDistance()); + + unique.add(interf.getMoleculeIds()); + + } + assertEquals(3, unique.size()); + } + + /** + * Create a mock structure with 2 entities 1 (chains A, B) and 2 (chain C). + * @return a structure + */ + private Structure mockStructure() { + Structure structure = new StructureImpl(); + EntityInfo entity1 = new EntityInfo(); + entity1.setMolId(1); + EntityInfo entity2 = new EntityInfo(); + entity2.setMolId(2); + structure.addEntityInfo(entity1); + structure.addEntityInfo(entity2); + + Chain chainA = new ChainImpl(); + chainA.setId("A"); + chainA.setName("A"); + Chain chainB = new ChainImpl(); + chainB.setId("B"); + chainB.setName("B"); + entity1.addChain(chainA); + entity1.addChain(chainB); + Chain chainC = new ChainImpl(); + chainC.setId("C"); + chainC.setName("C"); + entity2.addChain(chainC); + + structure.addChain(chainA); + structure.addChain(chainB); + structure.addChain(chainC); + + // entity 1: chain A 10 observed residues, chain B 9 observed residues (first unobserved) + List aGroups = getGroupList(10, "ALA", chainA, new Point3d(0,0,0)); + chainA.setAtomGroups(new ArrayList<>(aGroups)); + chainA.setSeqResGroups(aGroups); + chainA.setEntityInfo(entity1); + + List bGroups = getGroupList(10, "ALA", chainB, new Point3d(4, 0, 0)); + chainB.setAtomGroups(new ArrayList<>(bGroups.subList(1,10))); + chainB.setSeqResGroups(bGroups); + chainB.setEntityInfo(entity1); + + List cGroups = getGroupList(20, "GLY", chainC, new Point3d(0, 4, 0)); + chainC.setAtomGroups(new ArrayList<>(cGroups)); + chainC.setSeqResGroups(cGroups); + chainC.setEntityInfo(entity2); + + return structure; + } + + private List getGroupList(int size, String type, Chain chain, Point3d center) { + List list = new ArrayList<>(); + double offsetx = 0; + double offsety = 0; + double offsetz = 0; + for (int i=0;i Date: Sat, 25 Jan 2020 11:00:11 -0800 Subject: [PATCH 098/821] With bounding box optimization --- .../test/contact/TestInterfaceFinder.java | 1 + .../structure/contact/InterfaceFinder.java | 23 ++++++++++++++++++- 2 files changed, 23 insertions(+), 1 deletion(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java index b7e346437b..5d09406743 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java @@ -22,6 +22,7 @@ public class TestInterfaceFinder { @Test public void testGetAllInterfaces() throws StructureException, IOException { Structure s = StructureIO.getStructure("3hbx"); + InterfaceFinder finder = new InterfaceFinder(s); StructureInterfaceList list = finder.getAllInterfaces(); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java index 4128e95902..540c64f574 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java @@ -1,11 +1,14 @@ package org.biojava.nbio.structure.contact; +import org.biojava.nbio.structure.Atom; +import org.biojava.nbio.structure.Calc; import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.xtal.CrystalTransform; import org.biojava.nbio.structure.xtal.SpaceGroup; +import javax.vecmath.Point3d; import java.util.List; public class InterfaceFinder { @@ -18,6 +21,8 @@ public class InterfaceFinder { private Structure structure; private double cutoff; + private BoundingBox[] boundingBoxes; + public InterfaceFinder(Structure structure) { this.structure = structure; this.cutoff = DEFAULT_CONTACT_CUTOFF; @@ -28,11 +33,16 @@ public void setCutoff(double cutoff) { } public StructureInterfaceList getAllInterfaces() { + initBoundingBoxes(); + StructureInterfaceList list = new StructureInterfaceList(); List polyChains = structure.getPolyChains(); for (int i = 0; i polyChains = structure.getPolyChains(); + boundingBoxes = new BoundingBox[polyChains.size()]; + for (int i = 0; i0) { interf = new StructureInterface( - StructureTools.getAllAtomArray(chain1), StructureTools.getAllAtomArray(chain2), + StructureTools.getAllNonHAtomArray(chain1, INCLUDE_HETATOMS), StructureTools.getAllNonHAtomArray(chain2, INCLUDE_HETATOMS), chain1.getName(), chain2.getName(), graph, IDENTITY_TRANSFORM, IDENTITY_TRANSFORM); From d4dc3239b5fcae70e22e279465197c78740b2322 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sat, 25 Jan 2020 11:08:46 -0800 Subject: [PATCH 099/821] Docs --- .../test/contact/TestInterfaceFinder.java | 1 - .../nbio/structure/contact/InterfaceFinder.java | 15 +++++++++++++++ 2 files changed, 15 insertions(+), 1 deletion(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java index 5d09406743..e34bf5f355 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java @@ -3,7 +3,6 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; -import org.biojava.nbio.structure.contact.AtomContact; import org.biojava.nbio.structure.contact.AtomContactSet; import org.biojava.nbio.structure.contact.InterfaceFinder; import org.biojava.nbio.structure.contact.Pair; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java index 540c64f574..eae89db2c8 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java @@ -11,6 +11,11 @@ import javax.vecmath.Point3d; import java.util.List; +/** + * A class containing methods to find interfaces in a given structure. + * @author Jose Duarte + * @since 5.4.0 + */ public class InterfaceFinder { public static final double DEFAULT_CONTACT_CUTOFF = 6; @@ -28,10 +33,20 @@ public InterfaceFinder(Structure structure) { this.cutoff = DEFAULT_CONTACT_CUTOFF; } + /** + * Set the contact distance cutoff. + * @param cutoff the distance value in Angstroms + */ public void setCutoff(double cutoff) { this.cutoff = cutoff; } + /** + * Find all inter polymer-chain interfaces in the structure. + * Two chains will be considered in contact if at least a pair of atoms from each is within the + * contact cutoff. + * @return the list of all interfaces + */ public StructureInterfaceList getAllInterfaces() { initBoundingBoxes(); From e70f0ef8131897137cc2f6b201b2eca4ff9c662f Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sat, 25 Jan 2020 11:36:08 -0800 Subject: [PATCH 100/821] Fixes --- .../org/biojava/nbio/structure/contact/InterfaceFinder.java | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java index eae89db2c8..a7b01400f2 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/InterfaceFinder.java @@ -20,7 +20,7 @@ public class InterfaceFinder { public static final double DEFAULT_CONTACT_CUTOFF = 6; - private static final CrystalTransform IDENTITY_TRANSFORM = new CrystalTransform(SpaceGroup.parseSpaceGroup("P1")); + private static final CrystalTransform IDENTITY_TRANSFORM = new CrystalTransform((SpaceGroup) null); private static final boolean INCLUDE_HETATOMS = true; private Structure structure; @@ -43,7 +43,7 @@ public void setCutoff(double cutoff) { /** * Find all inter polymer-chain interfaces in the structure. - * Two chains will be considered in contact if at least a pair of atoms from each is within the + * Two chains will be considered in contact if at least a pair of atoms (one from each chain) is within the * contact cutoff. * @return the list of all interfaces */ From 2807d3d1cc76128599d79410717327696feb45ef Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sat, 25 Jan 2020 11:58:56 -0800 Subject: [PATCH 101/821] Cleanup --- .../test/contact/TestInterfaceFinder.java | 6 ++- .../structure/contact/StructureInterface.java | 40 +++++++++---------- .../contact/TestInterfaceFinder.java | 5 +++ 3 files changed, 30 insertions(+), 21 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java index e34bf5f355..7eb07e95f6 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact/TestInterfaceFinder.java @@ -22,10 +22,14 @@ public class TestInterfaceFinder { public void testGetAllInterfaces() throws StructureException, IOException { Structure s = StructureIO.getStructure("3hbx"); - InterfaceFinder finder = new InterfaceFinder(s); + long start = System.currentTimeMillis(); + InterfaceFinder finder = new InterfaceFinder(s); StructureInterfaceList list = finder.getAllInterfaces(); + long end = System.currentTimeMillis(); + System.out.println("Took " + (end-start) + " ms to calculate interfaces"); + assertEquals(12, list.size()); Set> unique = new HashSet<>(); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java index e9150fcfbe..3d039ad32b 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java @@ -304,7 +304,7 @@ protected Atom[] getAtomsForAsa(int cofactorSizeToUse) { * non-Hydrogen atoms are not included * @return */ - private static final Atom[] getAllNonHAtomArray(Atom[] m, int minSizeHetAtomToInclude) { + private static Atom[] getAllNonHAtomArray(Atom[] m, int minSizeHetAtomToInclude) { List atoms = new ArrayList<>(); for (Atom a:m){ @@ -348,7 +348,7 @@ private static boolean isInChain(Group g) { ChemComp chemComp = g.getChemComp(); if (chemComp==null) { - logger.warn("Warning: can't determine PolymerType for group "+g.getResidueNumber()+" ("+g.getPDBName()+"). Will consider it as non-nucleotide/non-protein type."); + logger.warn("Can't determine PolymerType for group "+g.getResidueNumber()+" ("+g.getPDBName()+"). Will consider it as non-nucleotide/non-protein type."); return false; } @@ -458,8 +458,8 @@ public GroupAsa getSecondGroupAsa(ResidueNumber resNum) { */ public Pair> getCoreResidues(double bsaToAsaCutoff, double minAsaForSurface) { - List core1 = new ArrayList(); - List core2 = new ArrayList(); + List core1 = new ArrayList<>(); + List core2 = new ArrayList<>(); for (GroupAsa groupAsa:groupAsas1.values()) { @@ -482,7 +482,7 @@ public Pair> getCoreResidues(double bsaToAsaCutoff, double minAsaFor } } - return new Pair>(core1, core2); + return new Pair<>(core1, core2); } /** @@ -494,8 +494,8 @@ public Pair> getCoreResidues(double bsaToAsaCutoff, double minAsaFor */ public Pair> getRimResidues(double bsaToAsaCutoff, double minAsaForSurface) { - List rim1 = new ArrayList(); - List rim2 = new ArrayList(); + List rim1 = new ArrayList<>(); + List rim2 = new ArrayList<>(); for (GroupAsa groupAsa:groupAsas1.values()) { @@ -529,8 +529,8 @@ public Pair> getRimResidues(double bsaToAsaCutoff, double minAsaForS */ public Pair> getInterfacingResidues(double minAsaForSurface) { - List interf1 = new ArrayList(); - List interf2 = new ArrayList(); + List interf1 = new ArrayList<>(); + List interf2 = new ArrayList<>(); for (GroupAsa groupAsa:groupAsas1.values()) { @@ -545,7 +545,7 @@ public Pair> getInterfacingResidues(double minAsaForSurface) { } } - return new Pair>(interf1, interf2); + return new Pair<>(interf1, interf2); } /** @@ -554,8 +554,8 @@ public Pair> getInterfacingResidues(double minAsaForSurface) { * @return */ public Pair> getSurfaceResidues(double minAsaForSurface) { - List surf1 = new ArrayList(); - List surf2 = new ArrayList(); + List surf1 = new ArrayList<>(); + List surf2 = new ArrayList<>(); for (GroupAsa groupAsa:groupAsas1.values()) { @@ -570,7 +570,7 @@ public Pair> getSurfaceResidues(double minAsaForSurface) { } } - return new Pair>(surf1, surf2); + return new Pair<>(surf1, surf2); } public StructureInterfaceCluster getCluster() { @@ -585,12 +585,12 @@ public void setCluster(StructureInterfaceCluster cluster) { * Calculates the contact overlap score between this StructureInterface and * the given one. * The two sides of the given StructureInterface need to match this StructureInterface - * in the sense that they must come from the same Compound (Entity), i.e. + * in the sense that they must come from the same Entity, i.e. * their residue numbers need to align with 100% identity, except for unobserved * density residues. The SEQRES indices obtained through {@link EntityInfo#getAlignedResIndex(Group, Chain)} are * used to match residues, thus if no SEQRES is present or if {@link FileParsingParameters#setAlignSeqRes(boolean)} * is not used, this calculation is not guaranteed to work properly. - * @param other + * @param other the interface to be compared to this one * @param invert if false the comparison will be done first-to-first and second-to-second, * if true the match will be first-to-second and second-to-first * @return the contact overlap score, range [0.0,1.0] @@ -668,7 +668,7 @@ public GroupContactSet getGroupContacts() { /** * Tell whether the interface is isologous, i.e. it is formed - * by the same patches of same Compound on both sides. + * by the same patches of same entity on both sides. * * @return true if isologous, false if heterologous */ @@ -691,11 +691,11 @@ public Pair getParentChains() { return null; } - return new Pair(firstMol[0].getGroup().getChain(), secondMol[0].getGroup().getChain()); + return new Pair<>(firstMol[0].getGroup().getChain(), secondMol[0].getGroup().getChain()); } /** - * Finds the parent compounds by looking up the references of first atom of each side of this interface + * Finds the parent entities by looking up the references of first atom of each side of this interface * @return */ public Pair getParentCompounds() { @@ -720,7 +720,7 @@ private Structure getParentStructure() { * Return a String representing the 2 molecules of this interface in PDB format. * If the molecule ids (i.e. chain ids) are the same for both molecules, then the second * one will be replaced by the next letter in alphabet (or A for Z) - * @return + * @return the PDB-formatted string */ public String toPDB() { @@ -758,7 +758,7 @@ public String toPDB() { * Return a String representing the 2 molecules of this interface in mmCIF format. * If the molecule ids (i.e. chain ids) are the same for both molecules, then the second * one will be written as chainId_operatorId (with operatorId taken from {@link #getTransforms()} - * @return + * @return the mmCIF-formatted string */ public String toMMCIF() { StringBuilder sb = new StringBuilder(); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/contact/TestInterfaceFinder.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/contact/TestInterfaceFinder.java index 7970b071fd..0ad1d6544e 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/contact/TestInterfaceFinder.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/contact/TestInterfaceFinder.java @@ -12,6 +12,9 @@ import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; import org.junit.Test; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + import static org.junit.Assert.*; import javax.vecmath.Point3d; @@ -22,6 +25,8 @@ public class TestInterfaceFinder { + private static final Logger logger = LoggerFactory.getLogger(TestInterfaceFinder.class); + @Test public void testGetAllInterfaces() { Structure s = mockStructure(); From 196f2e7091f197e25eab55bd4368d625369230de Mon Sep 17 00:00:00 2001 From: Didik Supriadi Date: Thu, 27 Feb 2020 21:37:19 +0700 Subject: [PATCH 102/821] Update release in Version badge --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index ccec106c71..9ff33d976b 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,6 @@ # Welcome to -[![Build Status](https://travis-ci.org/biojava/biojava.svg?branch=master)](https://travis-ci.org/biojava/biojava) [![Version](http://img.shields.io/badge/version-5.3.0-blue.svg?style=flat)](https://github.com/biojava/biojava/releases/tag/biojava-5.2.0) [![License](http://img.shields.io/badge/license-LGPL_2.1-blue.svg?style=flat)](https://github.com/biojava/biojava/blob/master/LICENSE) [![Join the chat at https://gitter.im/biojava/biojava](https://badges.gitter.im/biojava/biojava.svg)](https://gitter.im/biojava/biojava?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge) +[![Build Status](https://travis-ci.org/biojava/biojava.svg?branch=master)](https://travis-ci.org/biojava/biojava) [![Version](http://img.shields.io/badge/version-5.3.0-blue.svg?style=flat)](https://github.com/biojava/biojava/releases/tag/biojava-5.3.0) [![License](http://img.shields.io/badge/license-LGPL_2.1-blue.svg?style=flat)](https://github.com/biojava/biojava/blob/master/LICENSE) [![Join the chat at https://gitter.im/biojava/biojava](https://badges.gitter.im/biojava/biojava.svg)](https://gitter.im/biojava/biojava?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge) BioJava is an open-source project dedicated to providing a Java framework for **processing biological data**. It provides analytical and statistical routines, parsers for common file formats, reference implementations of popular algorithms, and allows the manipulation of sequences and 3D structures. The goal of the biojava project is to facilitate rapid application development for bioinformatics. From 41c36aef2fa755ca3ff9ffd91bd274939c1dfb6f Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sun, 12 Apr 2020 22:27:28 -0700 Subject: [PATCH 103/821] Now biojava can parse mmcif files with carbohydrates, though it ignores the carbohydrate chains --- .../biojava/nbio/structure/EntityType.java | 12 +++++++++ .../structure/io/TestNonDepositedFiles.java | 25 +++++++++++++++++++ 2 files changed, 37 insertions(+) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/EntityType.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/EntityType.java index 9abf52b423..de8b5ca4d1 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/EntityType.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/EntityType.java @@ -44,6 +44,18 @@ public enum EntityType { */ POLYMER("polymer"), + /** + * The 'branched' type use mainly to represent carbohydrates. + * The type was introduced in these versions of the mmcif dictionary: + * 5.101 2012-08-22 + * 5.291 2017-09-10 + * 5.304 2018-08-01 + * The type will only be used for PDB-deposited files from July 2020, as part of + * the carbohydrate remediation project. + * @since 5.4.0 + */ + BRANCHED("branched"), + /** * Non-polymeric entities: ligands, metal ions, buffer molecules, etc */ diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java index f5e8e5c27e..70e932bc01 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java @@ -27,6 +27,7 @@ import java.io.IOException; import java.io.InputStream; import java.io.InputStreamReader; +import java.net.URL; import java.util.List; import java.util.zip.GZIPInputStream; @@ -443,4 +444,28 @@ private static int[] countEntityTypes(List entities) { return counts; } + + @Test + public void testCarbohydrates() throws IOException { + // Example carbohydrate remediation file to be released in July 2020 + URL url = new URL("https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/examples/models/1B5F-carb.cif"); + InputStream inStream = url.openStream(); + + MMcifParser parser = new SimpleMMcifParser(); + + SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); + parser.addMMcifConsumer(consumer); + parser.parse(new BufferedReader(new InputStreamReader(inStream))); + + Structure structure = consumer.getStructure(); + + assertEquals(7, structure.getEntityInfos().size()); + + assertEquals(2, structure.getEntityById(1).getChains().size()); + assertEquals(2, structure.getEntityById(2).getChains().size()); + + assertEquals(0, structure.getNonPolyChains().size()); + assertEquals(4, structure.getPolyChains().size()); + + } } From ab76f927265dfea8a3ffb12073823672ca3dda97 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sun, 12 Apr 2020 23:39:43 -0700 Subject: [PATCH 104/821] Now considering branched entities as non-polymeric. Ends up in a more consistent state. Can be mmtf-encoded. --- .../org/biojava/nbio/structure/Model.java | 4 ++ .../io/mmtf/MmtfStructureWriter.java | 14 +++--- .../structure/io/TestNonDepositedFiles.java | 11 +++- .../structure/io/mmtf/TestMmtfRoundTrip.java | 50 +++++++++++++++++-- 4 files changed, 66 insertions(+), 13 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/Model.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/Model.java index 36cce008cb..7fe0abfed9 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/Model.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/Model.java @@ -110,6 +110,10 @@ public void addChain(Chain c) { logger.warn("Chain with asym id {} (author id {}) has entity type 'macrolide', considering it non-polymeric", c.getId(), c.getName()); nonPolyChains.add(c); + } else if (info.getType() == EntityType.BRANCHED) { + logger.warn("Chain with asym id {} (author id {}) has entity type 'branched', considering it non-polymeric", c.getId(), c.getName()); + nonPolyChains.add(c); + } else { logger.warn("Chain with asym id {} (author id {}) has unsupported entity type '{}'. Will not add it to the Structure.", c.getId(), c.getName(), info.getType().toString()); // ignore it diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java index dbc14ebbe4..47e4fb3d69 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java @@ -37,6 +37,8 @@ import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.rcsb.mmtf.api.StructureAdapterInterface; import org.rcsb.mmtf.dataholders.MmtfStructure; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; /** * Class to take Biojava structure data and covert to the DataApi for encoding. @@ -48,7 +50,9 @@ */ public class MmtfStructureWriter { - private StructureAdapterInterface mmtfDecoderInterface; + private static final Logger logger = LoggerFactory.getLogger(MmtfStructureWriter.class); + + private final StructureAdapterInterface mmtfDecoderInterface; /** * Pass data from Biojava structure to another generic output type. Loops through the data @@ -179,9 +183,8 @@ private void storeEntityInformation(List allChains, List enti List entityChains = entityInfo.getChains(); if (entityChains.isEmpty()){ // Error mapping chain to entity - System.err.println("ERROR MAPPING CHAIN TO ENTITY: "+description); + logger.error("ERROR MAPPING CHAIN TO ENTITY: "+description); mmtfDecoderInterface.setEntityInfo(new int[0], "", description, type); - continue; } else{ int[] chainIndices = new int[entityChains.size()]; @@ -194,7 +197,7 @@ private void storeEntityInformation(List allChains, List enti chainImpl = (ChainImpl) entityChains.get(0); } else{ - throw new RuntimeException(); + throw new RuntimeException("Encountered Chain of unexpected type"); } String sequence = chainImpl.getSeqResOneLetterSeq(); mmtfDecoderInterface.setEntityInfo(chainIndices, sequence, description, type); @@ -205,8 +208,7 @@ private void storeEntityInformation(List allChains, List enti /** * Generate the bioassembly information on in the desired form. - * @param bioJavaStruct the Biojava structure - * @param header the header + * */ private void storeBioassemblyInformation(Map chainIdToIndexMap, Map inputBioAss) { int bioAssemblyIndex = 0; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java index 70e932bc01..2e9ecc6140 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java @@ -446,7 +446,7 @@ private static int[] countEntityTypes(List entities) { } @Test - public void testCarbohydrates() throws IOException { + public void testStructureWithBranchedEntities() throws IOException { // Example carbohydrate remediation file to be released in July 2020 URL url = new URL("https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/examples/models/1B5F-carb.cif"); InputStream inStream = url.openStream(); @@ -464,8 +464,15 @@ public void testCarbohydrates() throws IOException { assertEquals(2, structure.getEntityById(1).getChains().size()); assertEquals(2, structure.getEntityById(2).getChains().size()); - assertEquals(0, structure.getNonPolyChains().size()); + // we consider the branched chains non-poly chains + assertEquals(4, structure.getNonPolyChains().size()); assertEquals(4, structure.getPolyChains().size()); + assertEquals(1, structure.getEntityById(3).getChains().size()); + + // chain asym_id="E" is from entity 3 + assertSame(structure.getNonPolyChain("E"), structure.getEntityById(3).getChains().get(0)); + + assertEquals(5, structure.getNonPolyChain("E").getAtomGroups().size()); } } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java index d9bdb05bc0..f787b1e908 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java @@ -20,12 +20,11 @@ */ package org.biojava.nbio.structure.io.mmtf; -import static org.junit.Assert.assertArrayEquals; -import static org.junit.Assert.assertEquals; -import static org.junit.Assert.assertNotNull; -import static org.junit.Assert.assertTrue; - +import java.io.BufferedReader; import java.io.IOException; +import java.io.InputStream; +import java.io.InputStreamReader; +import java.net.URL; import java.util.ArrayList; import java.util.Collections; import java.util.Comparator; @@ -43,12 +42,17 @@ import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; +import org.biojava.nbio.structure.io.mmcif.MMcifParser; +import org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer; +import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; import org.junit.Test; import org.rcsb.mmtf.decoder.StructureDataToAdapter; import org.rcsb.mmtf.encoder.AdapterToStructureData; +import static org.junit.Assert.*; + /** * Tests to see if roundtripping of MMTF can be done. * @@ -350,4 +354,40 @@ private void checkBioAssemblies1(Structure structOne, Structure structTwo) throw } } } + + @Test + public void testStructWithBranchedEntitiesRoundTrip() throws IOException { + // Example carbohydrate remediation file to be released in July 2020 + URL url = new URL("https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/examples/models/1B5F-carb.cif"); + InputStream inStream = url.openStream(); + + MMcifParser parser = new SimpleMMcifParser(); + + SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); + parser.addMMcifConsumer(consumer); + parser.parse(new BufferedReader(new InputStreamReader(inStream))); + + Structure structure = consumer.getStructure(); + + AdapterToStructureData writerToEncoder = new AdapterToStructureData(); + new MmtfStructureWriter(structure, writerToEncoder); + MmtfStructureReader mmtfStructureReader = new MmtfStructureReader(); + new StructureDataToAdapter(writerToEncoder, mmtfStructureReader); + Structure structure2 = mmtfStructureReader.getStructure(); + + assertEquals(7, structure2.getEntityInfos().size()); + + assertEquals(2, structure2.getEntityById(1).getChains().size()); + assertEquals(2, structure2.getEntityById(2).getChains().size()); + + assertEquals(4, structure2.getNonPolyChains().size()); + assertEquals(4, structure2.getPolyChains().size()); + + assertEquals(1, structure2.getEntityById(3).getChains().size()); + + // chain asym_id="E" is from entity 3 + assertSame(structure2.getNonPolyChain("E"), structure2.getEntityById(3).getChains().get(0)); + + assertEquals(5, structure2.getNonPolyChain("E").getAtomGroups().size()); + } } From 3ac8e06fdaeb2cfbfcf7d3c31e5bc2985280ed89 Mon Sep 17 00:00:00 2001 From: Sebastian Jaenicke Date: Mon, 13 Apr 2020 14:04:25 +0200 Subject: [PATCH 105/821] slf4j update 1.7.25 -> 1.7.30 log4j update 2.6.2 -> 2.13.1 --- pom.xml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/pom.xml b/pom.xml index 9ff4c461ee..8514858e84 100644 --- a/pom.xml +++ b/pom.xml @@ -41,8 +41,8 @@ UTF-8 512M 1.0.9 - 1.7.25 - 2.6.2 + 1.7.30 + 2.13.1 scm:git:git://github.com/biojava/biojava.git From 3a93e1c2329d6b0be960c68832db5c15fb411bf8 Mon Sep 17 00:00:00 2001 From: Aleix Lafita Date: Wed, 15 Apr 2020 19:43:56 +0100 Subject: [PATCH 106/821] Comment out 3R8R from localSymmetry test --- .../test/symmetry/TestQuatSymmetryDetectorExamples.java | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java index a5cd0a9fb4..b5a8a5a2e1 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java @@ -183,11 +183,12 @@ public void testLocal() throws IOException, StructureException { localSymmetries.put("A8","D2"); testLocalSymmetries.add(localSymmetries); + /* Bioassembly for 3R8R changed in January 2020 (PR #867) testIds.add("BIO:3R8R:1"); testStoichiometries.add("A12"); localSymmetries = new HashMap<>(); localSymmetries.put("A10","D5"); - testLocalSymmetries.add(localSymmetries); + testLocalSymmetries.add(localSymmetries);*/ testIds.add("BIO:1O18:1"); testStoichiometries.add("A14B6C5D5"); From 0570329da0e2756b603d7380c6c65fbbba109219 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sat, 25 Apr 2020 19:31:46 +0100 Subject: [PATCH 107/821] Added sequence file mentioned in #855 --- ...ture-spans-zero-point-circular-sequence.gb | 283 ++++++++++++++++++ 1 file changed, 283 insertions(+) create mode 100644 biojava-core/src/test/resources/feature-spans-zero-point-circular-sequence.gb diff --git a/biojava-core/src/test/resources/feature-spans-zero-point-circular-sequence.gb b/biojava-core/src/test/resources/feature-spans-zero-point-circular-sequence.gb new file mode 100644 index 0000000000..1fcc731c0d --- /dev/null +++ b/biojava-core/src/test/resources/feature-spans-zero-point-circular-sequence.gb @@ -0,0 +1,283 @@ +LOCUS Exported 7602 bp ds-DNA circular SYN 06-AUG-2018 +DEFINITION synthetic circular DNA +ACCESSION . +VERSION . +KEYWORDS E1b-GFP-Tol2 +SOURCE synthetic DNA construct + ORGANISM synthetic DNA construct +REFERENCE 1 (bases 1 to 7602) + AUTHORS Birnbaum RY, Clowney EJ, Agamy O, Kim MJ, Zhao J, Yamanaka T, + Pappalardo Z, Clarke SL, Wenger AM, Nguyen L, Gurrieri F, Everman + DB, Schwartz CE, Birk OS, Bejerano G, Lomvardas S, Ahituv N + TITLE Coding exons function as tissue-specific enhancers of nearby genes. + JOURNAL Genome Res. 2012 Jun;22(6):1059-68. Epub 2012 Mar 22. + PUBMED 22442009 +REFERENCE 2 (bases 1 to 7602) + AUTHORS . + TITLE Direct Submission + JOURNAL Exported Aug 6, 2018 from SnapGene Server 1.1.58 + http://www.snapgene.com +FEATURES Location/Qualifiers + source 1..7602 + /organism="synthetic DNA construct" + /mol_type="other DNA" + primer_bind 49..68 + /label=Amp-R + /note="Ampicillin resistance gene, reverse primer" + promoter complement(287..391) + /gene="bla" + /label=AmpR promoter + rep_origin complement(417..872) + /direction=LEFT + /label=f1 ori + /note="f1 bacteriophage origin of replication; arrow + indicates direction of (+) strand synthesis" + primer_bind complement(554..575) + /label=F1ori-F + /note="F1 origin, forward primer" + primer_bind 766..785 + /label=F1ori-R + /note="F1 origin, reverse primer" + primer_bind 999..1021 + /label=M13/pUC Forward + /note="In lacZ gene" + primer_bind 1013..1030 + /label=M13 Forward + /note="In lacZ gene. Also called M13-F20 or M13 (-21) + Forward" + primer_bind 1014..1030 + /label=M13 fwd + /note="common sequencing primer, one of multiple similar + variants" + primer_bind 1040..1059 + /label=T7 + /note="T7 promoter, forward primer" + promoter 1040..1058 + /label=T7 promoter + /note="promoter for bacteriophage T7 RNA polymerase" + intron 3555..4127 + /label=-beta-globin intron + /note="intron from rabbit beta-globin gene" + regulatory 4201..4210 + /regulatory_class="other" + /note="vertebrate consensus sequence for strong initiation + of translation (Kozak, 1987)" + CDS 4207..4926 + /codon_start=1 + /product="enhanced GFP" + /label=EGFP + /note="mammalian codon-optimized" + /translation="MVSKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTL + KFICTTGKLPVPWPTLVTTLTYGVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDD + GNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIK + VNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLL + EFVTAAGITLGMDELYK" + primer_bind complement(4252..4273) + /label=EGFP-N + /note="EGFP, reverse primer" + primer_bind complement(4513..4532) + /label=EXFP-R + /note="For distinguishing EGFP variants, reverse primer" + primer_bind 4860..4881 + /label=EGFP-C + /note="EGFP, forward primer" + polyA_signal 4971..5105 + /label=SV40 poly(A) signal + /note="SV40 polyadenylation signal" + primer_bind complement(4995..5014) + /label=EBV-rev + /note="SV40 polyA terminator, reverse primer" + primer_bind 5049..5068 + /label=SV40pA-R + /note="SV40 polyA, reverse primer" + primer_bind complement(5775..5791) + /label=SK primer + /note="common sequencing primer, one of multiple similar + variants" + primer_bind complement(5775..5791) + /label=pBluescriptSK + /note="For pBluescript vector" + primer_bind complement(5828..5848) + /label=T3 + /note="T3 promoter, forward primer" + promoter complement(5828..5846) + /label=T3 promoter + /note="promoter for bacteriophage T3 RNA polymerase" + primer_bind complement(5867..5883) + /label=M13 rev + /note="common sequencing primer, one of multiple similar + variants" + primer_bind complement(5867..5883) + /label=M13 Reverse + /note="In lacZ gene. Also called M13-rev" + primer_bind complement(5880..5902) + /label=M13/pUC Reverse + /note="In lacZ gene" + protein_bind 5891..5907 + /label=lac operator + /bound_moiety="lac repressor encoded by lacI" + /note="The lac repressor binds to the lac operator to + inhibit transcription in E. coli. This inhibition can be + relieved by adding lactose or + isopropyl-beta-D-thiogalactopyranoside (IPTG)." + promoter complement(5915..5945) + /label=lac promoter + /note="promoter for the E. coli lac operon" + protein_bind 5960..5981 + /label=CAP binding site + /bound_moiety="E. coli catabolite activator protein" + /note="CAP binding activates transcription in the presence + of cAMP." + primer_bind complement(6098..6115) + /label=L4440 + /note="L4440 vector, forward primer" + rep_origin complement(6269..6857) + /direction=LEFT + /label=ori + /note="high-copy-number ColE1/pMB1/pBR322/pUC origin of + replication" + primer_bind complement(6349..6368) + /label=pBR322ori-F + /note="pBR322 origin, forward primer" + CDS complement(7028..286) + /codon_start=1 + /gene="bla" + /product="beta-lactamase" + /label=AmpR + /note="confers resistance to ampicillin, carbenicillin, and + related antibiotics" + /translation="MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYI + ELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRIDAGQEQLGRRIHYSQNDLVEYS + PVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRW + EPELNEAIPNDERDTTMPVAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSA + LPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGAS + LIKHW" +ORIGIN + 1 aatagtgtat gcggcgaccg agttgctctt gcccggcgtc aatacgggat aataccgcgc + 61 cacatagcag aactttaaaa gtgctcatca ttggaaaacg ttcttcgggg cgaaaactct + 121 caaggatctt accgctgttg agatccagtt cgatgtaacc cactcgtgca cccaactgat + 181 cttcagcatc ttttactttc accagcgttt ctgggtgagc aaaaacagga aggcaaaatg + 241 ccgcaaaaaa gggaataagg gcgacacgga aatgttgaat actcatactc ttcctttttc + 301 aatattattg aagcatttat cagggttatt gtctcatgag cggatacata tttgaatgta + 361 tttagaaaaa taaacaaata ggggttccgc gcacatttcc ccgaaaagtg ccacctaaat + 421 tgtaagcgtt aatattttgt taaaattcgc gttaaatttt tgttaaatca gctcattttt + 481 taaccaatag gccgaaatcg gcaaaatccc ttataaatca aaagaataga ccgagatagg + 541 gttgagtgtt gttccagttt ggaacaagag tccactatta aagaacgtgg actccaacgt + 601 caaagggcga aaaaccgtct atcagggcga tggcccacta cgtgaaccat caccctaatc + 661 aagttttttg gggtcgaggt gccgtaaagc actaaatcgg aaccctaaag ggagcccccg + 721 atttagagct tgacggggaa agccggcgaa cgtggcgaga aaggaaggga agaaagcgaa + 781 aggagcgggc gctagggcgc tggcaagtgt agcggtcacg ctgcgcgtaa ccaccacacc + 841 cgccgcgctt aatgcgccgc tacagggcgc gtcccattcg ccattcaggc tgcgcaactg + 901 ttgggaaggg cgatcggtgc gggcctcttc gctattacgc cagctggcga aagggggatg + 961 tgctgcaagg cgattaagtt gggtaacgcc agggttttcc cagtcacgac gttgtaaaac + 1021 gacggccagt gagcgcgcgt aatacgactc actatagggc gaattgggta ccaaatagta + 1081 ggaattaccc acctgtacaa gtgctgaaaa cttggatgaa taagcccgtt tgccattttc + 1141 tactgctatt ttaaatcttt tctgtatttg tctgcatttg tctttaccct tgaataaatg + 1201 ttttagttgt tttttttcaa ttatgactgt gtttaacaga cattattaca ataatatgta + 1261 atagtagtac acactattat tatgtaatag tacttgttga ctgtatttga gaactggacc + 1321 gagtgagtgt tacgtcaccc attcaaaatg acttacttct ggctccaaca aaatgaagtt + 1381 aattcagttg ccatttttca ctgtatggac atcgccgtgt tggagctaga cgttgccaat + 1441 aagcaagaaa gagccgagat gcgtcgagtc tgagtcaccg ttcctatggc aacccctcta + 1501 accaatcaga agtaagcttg ttggaagtcc acagcctacc acttgaaagc gggctgcaca + 1561 aaatctgtca aacgttttga acgttggatg tgagagcaca tacttttatt aaggcatctg + 1621 gttggtcagt ttataatatc aacaacttgg gctacagaaa agaaaagtta ttacagaaat + 1681 tatgattaac aagtacatgt taaataaaga ttttaatatg aatgccacca ctggagcatt + 1741 catgccattt ggagcttctt cctgtttgga tcactagaag gaggaggtca ctcattacag + 1801 ttctcatata cagtcgttgg ttggttggtt ggttggtaga ttgattgatt gattgattga + 1861 ttgattgatt gattgattga ttgattgatt gattgattga ttgattgatt gattggtagt + 1921 caaaataaga aataatttcc acagattcat tacagaaatg attaaatgca tacataaaaa + 1981 actggggggg gggggataca acaacacact taagtcacat ttgcctacgt aaagaaaagt + 2041 aaagaaaatc aatagctata ttttacatct cctttttttg ctgtctttta attagccttg + 2101 ttttgctgtt atcttgattg aaactgtaac ttcttcacct gcttcttttc tttgtaggtt + 2161 ttgccagccc agaaacaggc atggctgtgc aaggccagag caccatgcac aatgcgctgc + 2221 atgtcttcat gaacggctca atgtcctcag tccagggctc agccaacgac cccatcttcc + 2281 tccttcacca tgctttcatt gacaggtaac aaacacgtca tgacattaga ctgcacagtt + 2341 tttgacaaag ttcatacaat ctgttgttta tagctgctac aattagtgaa gtttgtgaat + 2401 gtacttggat gagcagcgaa agatcaattg agatcaattg ttagagtttg gttgccctgc + 2461 agagcaaaga acaaaaaata atctggtggc tttactgcgt gaggttatta ttggtggaat + 2521 agaaacacaa aacataattg catttatttg tttaattttt tatcttatct taactttcat + 2581 cttgcatatt tgtttcttac atcatttcta gcatctttga gcgctggcta agaactcatc + 2641 agcctccccg gtccatctac ccacgtacca atgcaccaat tggccacaat gacggctact + 2701 acatggtgcc attccttcct ctttatagga atggagacta cctcctgtcc aacaatgctc + 2761 ttggatacga gtacgcctac ctgttggacc caggtcattg cacaacacca gaaatgccct + 2821 ctgatctgca aaagacgtga atatctgttc agacacccat atccactctg ttccacacag + 2881 gtcagaggtt tgtccaggag ttcttgacag aggtgtaaaa agtactcaaa aattttactc + 2941 aagtgaaagt acaagtactt agggaaaatt ttactcaatt aaaagtaaaa gtatctggct + 3001 agaatcttac ttgagtaaaa gtaaaaaagt actccattaa aattgtactt gagtattaag + 3061 gaagtaaaag taaaagcaag aaagaaaact agagattctt gtttaagctt ttaatctcaa + 3121 aaaacattaa atgaaatgca tacaaggttt tatcctgctt tagaactgtt tgtatttaat + 3181 tatcaaacta taagacagac aatctaatgc cagtacacgc tactcaaagt tgtaaaacct + 3241 cagatttaac ttcagtagaa gctgattctc aaaattgtta gtgtcaagcc tagctctttt + 3301 ggggctgaaa agcaatcctg cagtgctgaa aagcctctca caggcagccg atgcgggaag + 3361 aggtgtatta gtcttgatag agaggctgca aatagcagga aacgtgagca gagactccct + 3421 ggtgtctgaa acacaggcca gatgggccct cgagagatct ctcgactcta gagggtatat + 3481 aatggatccc atcgcgtctc agcctcactt tgagctcctc cacacgaatt tcgaccgatc + 3541 ctgagaactt cagggtgagt ttggggaccc ttgattgttc tttctttttc gctattgtaa + 3601 aattcatgtt atatggaggg ggcaaagttt tcagggtgtt gtttagaatg ggaagatgtc + 3661 ccttgtatca ccatggaccc tcatgataat tttgtttctt tcactttcta ctctgttgac + 3721 aaccattgtc tcctcttatt ttcttttcat tttctgtaac tttttcgtta aactttagct + 3781 tgcatttgta acgaattttt aaattcactt ttgtttattt gtcagattgt aagtactttc + 3841 tctaatcact tttttttcaa ggcaatcagg gtatattata ttgtacttca gcacagtttt + 3901 agagaacaat tgttataatt aaatgataag gtagaatatt tctgcatata aattctggct + 3961 ggcgtggaaa tattcttatt ggtagaaaca actacaccct ggtcatcatc ctgcctttct + 4021 ctttatggtt acaatgatat acactgtttg agatgaggat aaaatactct gagtccaaac + 4081 cgggcccctc tgctaaccat gttcatgcct tcttctcttt cctacagctc ctgggcaacg + 4141 tgctggttgt tgtgctgtct catcattttg gcaaagaatt cctcgacgga tccaccggtc + 4201 gccaccatgg tgagcaaggg cgaggagctg ttcaccgggg tggtgcccat cctggtcgag + 4261 ctggacggcg acgtaaacgg ccacaagttc agcgtgtccg gcgagggcga gggcgatgcc + 4321 acctacggca agctgaccct gaagttcatc tgcaccaccg gcaagctgcc cgtgccctgg + 4381 cccaccctcg tgaccaccct gacctacggc gtgcagtgct tcagccgcta ccccgaccac + 4441 atgaagcagc acgacttctt caagtccgcc atgcccgaag gctacgtcca ggagcgcacc + 4501 atcttcttca aggacgacgg caactacaag acccgcgccg aggtgaagtt cgagggcgac + 4561 accctggtga accgcatcga gctgaagggc atcgacttca aggaggacgg caacatcctg + 4621 gggcacaagc tggagtacaa ctacaacagc cacaacgtct atatcatggc cgacaagcag + 4681 aagaacggca tcaaggtgaa cttcaagatc cgccacaaca tcgaggacgg cagcgtgcag + 4741 ctcgccgacc actaccagca gaacaccccc atcggcgacg gccccgtgct gctgcccgac + 4801 aaccactacc tgagcaccca gtccgccctg agcaaagacc ccaacgagaa gcgcgatcac + 4861 atggtcctgc tggagttcgt gaccgccgcc gggatcactc tcggcatgga cgagctgtac + 4921 aagtaaagcg gccgccaccg cggtggagct cgaattaatt catcgatgat gatccagaca + 4981 tgataagata cattgatgag tttggacaaa ccacaactag aatgcagtga aaaaaatgct + 5041 ttatttgtga aatttgtgat gctattgctt tatttgtaac cattataagc tgcaataaac + 5101 aagttaacaa caacaattgc attcatttta tgtttcaggt tcagggggag gtgtgggagg + 5161 ttttttaaag caagtaaaac ctctacaaat gtggtatggc tgattatgat cctctagatc + 5221 agatccgaag atacggccac gggtgctctt gatcctgtgg ctgattttgg actgtgctgc + 5281 tcgcagctgc tgatgaatca catacttcct ccattttctt ccactgattg actgttataa + 5341 tttccctaat ttccaggtca aggtgctgtg cattgtggta atagatgtga catgacgtca + 5401 cttccaaagg accaatgaac atgtctgacc aatttcatat aatgtgaaaa cgattttcat + 5461 aggcagaata aataacattt aaattaaact gggcatcagc gcaattcaat tggtttggta + 5521 atagcaaggg aaaatagaat gaagtgatct ccaaaaaata agtacttttt gactgtaaat + 5581 aaaattgtaa ggagtaaaaa gtactttttt ttctaaaaaa atgtaattaa gtaaaagtaa + 5641 aagtattgat ttttaattgt actcaagtaa agtaaaaatc cccaaaaata atacttaagt + 5701 acagtaatca agtaaaatta ctcaagtact ttacacctct ggttcttgac cccctacctt + 5761 cagcaagccc agcagatcca ctagttctag agcggccgcc accgcggtgg agctccagct + 5821 tttgttccct ttagtgaggg ttaattgcgc gcttggcgta atcatggtca tagctgtttc + 5881 ctgtgtgaaa ttgttatccg ctcacaattc cacacaacat acgagccgga agcataaagt + 5941 gtaaagcctg gggtgcctaa tgagtgagct aactcacatt aattgcgttg cgctcactgc + 6001 ccgctttcca gtcgggaaac ctgtcgtgcc agctgcatta atgaatcggc caacgcgcgg + 6061 ggagaggcgg tttgcgtatt gggcgctctt ccgcttcctc gctcactgac tcgctgcgct + 6121 cggtcgttcg gctgcggcga gcggtatcag ctcactcaaa ggcggtaata cggttatcca + 6181 cagaatcagg ggataacgca ggaaagaaca tgtgagcaaa aggccagcaa aaggccagga + 6241 accgtaaaaa ggccgcgttg ctggcgtttt tccataggct ccgcccccct gacgagcatc + 6301 acaaaaatcg acgctcaagt cagaggtggc gaaacccgac aggactataa agataccagg + 6361 cgtttccccc tggaagctcc ctcgtgcgct ctcctgttcc gaccctgccg cttaccggat + 6421 acctgtccgc ctttctccct tcgggaagcg tggcgctttc tcatagctca cgctgtaggt + 6481 atctcagttc ggtgtaggtc gttcgctcca agctgggctg tgtgcacgaa ccccccgttc + 6541 agcccgaccg ctgcgcctta tccggtaact atcgtcttga gtccaacccg gtaagacacg + 6601 acttatcgcc actggcagca gccactggta acaggattag cagagcgagg tatgtaggcg + 6661 gtgctacaga gttcttgaag tggtggccta actacggcta cactagaaga acagtatttg + 6721 gtatctgcgc tctgctgaag ccagttacct tcggaaaaag agttggtagc tcttgatccg + 6781 gcaaacaaac caccgctggt agcggtggtt tttttgtttg caagcagcag attacgcgca + 6841 gaaaaaaagg atctcaagaa gatcctttga tcttttctac ggggtctgac gctcagtgga + 6901 acgaaaactc acgttaaggg attttggtca tgagattatc aaaaaggatc ttcacctaga + 6961 tccttttaaa ttaaaaatga agttttaaat caatctaaag tatatatgag taaacttggt + 7021 ctgacagtta ccaatgctta atcagtgagg cacctatctc agcgatctgt ctatttcgtt + 7081 catccatagt tgcctgactc cccgtcgtgt agataactac gatacgggag ggcttaccat + 7141 ctggccccag tgctgcaatg ataccgcgag acccacgctc accggctcca gatttatcag + 7201 caataaacca gccagccgga agggccgagc gcagaagtgg tcctgcaact ttatccgcct + 7261 ccatccagtc tattaattgt tgccgggaag ctagagtaag tagttcgcca gttaatagtt + 7321 tgcgcaacgt tgttgccatt gctacaggca tcgtggtgtc acgctcgtcg tttggtatgg + 7381 cttcattcag ctccggttcc caacgatcaa ggcgagttac atgatccccc atgttgtgca + 7441 aaaaagcggt tagctccttc ggtcctccga tcgttgtcag aagtaagttg gccgcagtgt + 7501 tatcactcat ggttatggca gcactgcata attctcttac tgtcatgcca tccgtaagat + 7561 gcttttctgt gactggtgag tactcaacca agtcattctg ag +// From e8be187268f0c720b21fbb25d7d9582a688ab37f Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sat, 25 Apr 2020 19:45:40 +0100 Subject: [PATCH 108/821] Added basic integration test to demonstrate the issue --- .../core/sequence/io/GenbankReaderTest.java | 35 +++++++------------ 1 file changed, 13 insertions(+), 22 deletions(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 5bcbecf672..42eca4a3a1 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -22,41 +22,24 @@ import org.biojava.nbio.core.exceptions.CompoundNotFoundException; import org.biojava.nbio.core.sequence.DNASequence; -import org.biojava.nbio.core.sequence.RNASequence; import org.biojava.nbio.core.sequence.ProteinSequence; -import org.biojava.nbio.core.sequence.compound.AminoAcidCompound; -import org.biojava.nbio.core.sequence.compound.AminoAcidCompoundSet; -import org.biojava.nbio.core.sequence.compound.DNACompoundSet; -import org.biojava.nbio.core.sequence.compound.RNACompoundSet; -import org.biojava.nbio.core.sequence.compound.NucleotideCompound; +import org.biojava.nbio.core.sequence.RNASequence; +import org.biojava.nbio.core.sequence.compound.*; import org.biojava.nbio.core.sequence.features.FeatureInterface; import org.biojava.nbio.core.sequence.features.Qualifier; import org.biojava.nbio.core.sequence.template.AbstractSequence; -import org.junit.After; -import org.junit.AfterClass; -import org.junit.Assert; -import org.junit.Before; -import org.junit.BeforeClass; -import org.junit.Test; +import org.junit.*; import org.slf4j.Logger; import org.slf4j.LoggerFactory; -import java.io.BufferedInputStream; -import java.io.BufferedReader; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; +import java.io.*; import java.util.ArrayList; import java.util.LinkedHashMap; import java.util.List; import java.util.Map; import static org.hamcrest.CoreMatchers.is; -import static org.junit.Assert.assertEquals; -import static org.junit.Assert.assertFalse; -import static org.junit.Assert.assertNotNull; -import static org.junit.Assert.assertThat; -import static org.junit.Assert.assertTrue; +import static org.junit.Assert.*; /** * @@ -350,6 +333,14 @@ public void testLegacyLocusCompatable() throws IOException, CompoundNotFoundExce } + @Test + public void readSequenceWithZeroSpanFeature() throws IOException, CompoundNotFoundException { + logger.info("make or read genbank file error when feature spans zero point of circular sequence (issue #855)"); + final DNASequence seq = readGenbankResource("/feature-spans-zero-point-circular-sequence.gb"); + + assertNotNull(seq); + } + /** * Helper class to be able to verify the closed state of the input stream. */ From 0a86883f271ac3856e805d84c6491272e79ea9a0 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sat, 25 Apr 2020 21:34:54 +0100 Subject: [PATCH 109/821] retrieve information of circular sequence --- .../biojava/nbio/core/sequence/io/GenbankSequenceParser.java | 3 +++ 1 file changed, 3 insertions(+) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 9641a38894..c818cadd43 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -67,6 +67,7 @@ public class GenbankSequenceParser, C extends Comp private GenericGenbankHeaderParser headerParser; private String header; private String accession; + private boolean isCircularSequence; public LinkedHashMap> mapDB; /** * this data structure collects list of features extracted from the @@ -178,6 +179,8 @@ private String parse(BufferedReader bufferedReader) { } } + isCircularSequence = m.group(6).equalsIgnoreCase("circular"); + log.debug("compound type: {}", compoundType.getClass().getSimpleName()); } else { From a74c0152cc192ae7e7a71c61403034ca8d61e641 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sat, 25 Apr 2020 22:09:00 +0100 Subject: [PATCH 110/821] Propagate down this bit of information --- .../sequence/io/GenbankSequenceParser.java | 2 +- .../core/sequence/location/InsdcParser.java | 44 +++++++++++-------- 2 files changed, 26 insertions(+), 20 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index c818cadd43..023497545d 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -283,7 +283,7 @@ private String parse(BufferedReader bufferedReader) { // new feature! gbFeature = new TextFeature(key, val, key, key); Location l = - locationParser.parse(val); + locationParser.parse(val, isCircularSequence); gbFeature.setLocation((AbstractLocation)l); if (!featureCollection.containsKey(key)) { diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java index 2e8217ea43..19ac38258c 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java @@ -135,40 +135,45 @@ public DataSource getDataSource() { * @return The parsed location * @throws ParserException thrown in the event of any error during parsing */ - public Location parse(String locationString) throws ParserException { + public Location parse(String locationString, boolean isSequenceCircular) throws ParserException { featureGlobalStart = Integer.MAX_VALUE; featureGlobalEnd = 1; Location l; - List ll = parseLocationString(locationString, 1); + List ll = parseLocationString(locationString, 1, isSequenceCircular); if (ll.size() == 1) { l = ll.get(0); } else { l = new SimpleLocation( - featureGlobalStart, - featureGlobalEnd, + new SimplePoint(featureGlobalStart), + new SimplePoint(featureGlobalEnd), Strand.UNDEFINED, + isSequenceCircular, ll); } return l; } - /** - * Reader based version of the parse methods. - * - * @param reader The source of the data; assumes that end of the reader - * stream is the end of the location string to parse - * @return The parsed location - * @throws IOException Thrown with any reader error - * @throws ParserException Thrown with any error with parsing locations - */ + public Location parse(String locationString) throws ParserException { + return parse(locationString, false); + } + + /** + * Reader based version of the parse methods. + * + * @param reader The source of the data; assumes that end of the reader + * stream is the end of the location string to parse + * @return The parsed location + * @throws IOException Thrown with any reader error + * @throws ParserException Thrown with any error with parsing locations + */ public List parse(Reader reader) throws IOException, ParserException { // use parse(String s) instead! return null; } - private List parseLocationString(String string, int versus) throws ParserException { + private List parseLocationString(String string, int versus, boolean isSequenceCircular) throws ParserException { Matcher m; List boundedLocationsCollection = new ArrayList(); @@ -186,7 +191,8 @@ private List parseLocationString(String string, int versus) throws Par if (!splitQualifier.isEmpty()) { //recursive case int localVersus = splitQualifier.equalsIgnoreCase("complement") ? -1 : 1; - List subLocations = parseLocationString(splitString, versus * localVersus); + List subLocations = parseLocationString( + splitString, versus * localVersus, isSequenceCircular); switch (complexFeaturesAppendMode) { case FLATTEN: @@ -228,8 +234,8 @@ private List parseLocationString(String string, int versus) throws Par String accession = m.group(1); Strand s = versus == 1 ? Strand.POSITIVE : Strand.NEGATIVE; - int start = Integer.parseInt(m.group(3)); - int end = m.group(6) == null ? start : new Integer(m.group(6)); + int start = Integer.valueOf(m.group(3)); + int end = m.group(6) == null ? start : Integer.valueOf(m.group(6)); if (featureGlobalStart > start) { featureGlobalStart = start; @@ -239,8 +245,8 @@ private List parseLocationString(String string, int versus) throws Par } AbstractLocation l = new SimpleLocation( - start, - end, + new SimplePoint(start), + new SimplePoint(end), s ); From 4fd3fdbe353ebe00a621c46ff0c2f2aeb9f4d83e Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sat, 25 Apr 2020 22:33:00 +0100 Subject: [PATCH 111/821] Need to extract also the sequence length to correctly create two locations spanning sequence end. --- .../nbio/core/sequence/io/GenbankSequenceParser.java | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 023497545d..eb0c5550fd 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -68,6 +68,7 @@ public class GenbankSequenceParser, C extends Comp private String header; private String accession; private boolean isCircularSequence; + private long sequenceLength; public LinkedHashMap> mapDB; /** * this data structure collects list of features extracted from the @@ -110,7 +111,7 @@ public class GenbankSequenceParser, C extends Comp protected static final String START_SEQUENCE_TAG = "ORIGIN"; protected static final String END_SEQUENCE_TAG = "//"; // locus line - protected static final Pattern lp = Pattern.compile("^(\\S+)\\s+\\d+\\s+(bp|BP|aa|AA)\\s{0,4}(([dmsDMS][sS]-)?(\\S+))?\\s*(circular|CIRCULAR|linear|LINEAR)?\\s*(\\S+)?\\s*(\\S+)?$"); + protected static final Pattern lp = Pattern.compile("^(\\S+)\\s+(\\d+)\\s+(bp|BP|aa|AA)\\s{0,4}(([dmsDMS][sS]-)?(\\S+))?\\s*(circular|CIRCULAR|linear|LINEAR)?\\s*(\\S+)?\\s*(\\S+)?$"); // version line protected static final Pattern vp = Pattern.compile("^(\\S*?)(\\.(\\d+))?(\\s+GI:(\\S+))?$"); // reference line @@ -161,9 +162,9 @@ private String parse(BufferedReader bufferedReader) { if (m.matches()) { headerParser.setName(m.group(1)); headerParser.setAccession(m.group(1)); // default if no accession found - - String lengthUnits = m.group(2); - String type = m.group(5); + sequenceLength = Long.valueOf(m.group(2)); + String lengthUnits = m.group(3); + String type = m.group(6); if (lengthUnits.equalsIgnoreCase("aa")) { compoundType = AminoAcidCompoundSet.getAminoAcidCompoundSet(); @@ -179,7 +180,7 @@ private String parse(BufferedReader bufferedReader) { } } - isCircularSequence = m.group(6).equalsIgnoreCase("circular"); + isCircularSequence = m.group(7).equalsIgnoreCase("circular"); log.debug("compound type: {}", compoundType.getClass().getSimpleName()); From d724aec7d36dd4fdc314d3e7d5fa0da6f70942e9 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sat, 25 Apr 2020 22:43:02 +0100 Subject: [PATCH 112/821] Need to propagate down also this bit of information. Since two parameters more may be less readable I changed strategy and configured parser class. --- .../sequence/io/GenbankSequenceParser.java | 6 ++++- .../core/sequence/location/InsdcParser.java | 23 +++++++++++-------- 2 files changed, 19 insertions(+), 10 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index eb0c5550fd..1953de60dc 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -182,6 +182,10 @@ private String parse(BufferedReader bufferedReader) { isCircularSequence = m.group(7).equalsIgnoreCase("circular"); + // configure location parser with needed information + locationParser.setSequenceLength(sequenceLength); + locationParser.setSequenceCircular(isCircularSequence); + log.debug("compound type: {}", compoundType.getClass().getSimpleName()); } else { @@ -284,7 +288,7 @@ private String parse(BufferedReader bufferedReader) { // new feature! gbFeature = new TextFeature(key, val, key, key); Location l = - locationParser.parse(val, isCircularSequence); + locationParser.parse(val); gbFeature.setLocation((AbstractLocation)l); if (!featureCollection.containsKey(key)) { diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java index 19ac38258c..b802e9f3cb 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java @@ -35,6 +35,7 @@ import java.io.IOException; import java.io.Reader; import java.util.ArrayList; +import java.util.Arrays; import java.util.List; import java.util.regex.Matcher; import java.util.regex.Pattern; @@ -49,6 +50,9 @@ */ public class InsdcParser , C extends Compound>{ + private boolean isSequenceCircular; + private long sequenceLength; + private final DataSource dataSource; /** @@ -80,7 +84,6 @@ public class InsdcParser , C extends Compound>{ * Not really sure that they are not declared obsolete but they are still in * several files. */ - //protected static final Pattern genbankSplitPattern = Pattern.compile("^\\s?(join|order|bond|complement|)\\(?([^\\)]+)\\)?"); protected static final Pattern genbankSplitPattern = Pattern.compile("^\\s?(join|order|bond|complement|)\\(?(.+)\\)?"); /** * designed to recursively split a location string in tokens. Valid tokens @@ -126,7 +129,13 @@ public DataSource getDataSource() { return dataSource; } + public void setSequenceCircular(boolean sequenceCircular) { + isSequenceCircular = sequenceCircular; + } + public void setSequenceLength(long sequenceLength) { + this.sequenceLength = sequenceLength; + } /** * Main method for parsing a location from a String instance @@ -135,12 +144,12 @@ public DataSource getDataSource() { * @return The parsed location * @throws ParserException thrown in the event of any error during parsing */ - public Location parse(String locationString, boolean isSequenceCircular) throws ParserException { + public Location parse(String locationString) throws ParserException { featureGlobalStart = Integer.MAX_VALUE; featureGlobalEnd = 1; Location l; - List ll = parseLocationString(locationString, 1, isSequenceCircular); + List ll = parseLocationString(locationString, 1); if (ll.size() == 1) { l = ll.get(0); @@ -155,10 +164,6 @@ public Location parse(String locationString, boolean isSequenceCircular) throws return l; } - public Location parse(String locationString) throws ParserException { - return parse(locationString, false); - } - /** * Reader based version of the parse methods. * @@ -173,7 +178,7 @@ public List parse(Reader reader) throws IOException, ParserExc return null; } - private List parseLocationString(String string, int versus, boolean isSequenceCircular) throws ParserException { + private List parseLocationString(String string, int versus) throws ParserException { Matcher m; List boundedLocationsCollection = new ArrayList(); @@ -192,7 +197,7 @@ private List parseLocationString(String string, int versus, boolean is //recursive case int localVersus = splitQualifier.equalsIgnoreCase("complement") ? -1 : 1; List subLocations = parseLocationString( - splitString, versus * localVersus, isSequenceCircular); + splitString, versus * localVersus); switch (complexFeaturesAppendMode) { case FLATTEN: From e49b69be3fc1f3734b871715ac73e34deeb72cc1 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sat, 25 Apr 2020 22:50:03 +0100 Subject: [PATCH 113/821] Implementation of exceptional complex location in case of location spanning the end point. Location contract wants sublocations --- .../sequence/io/GenbankSequenceParser.java | 4 +- .../core/sequence/location/InsdcParser.java | 37 +++++++++++++++---- 2 files changed, 32 insertions(+), 9 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 1953de60dc..cada9a3238 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -68,7 +68,7 @@ public class GenbankSequenceParser, C extends Comp private String header; private String accession; private boolean isCircularSequence; - private long sequenceLength; + private int sequenceLength; public LinkedHashMap> mapDB; /** * this data structure collects list of features extracted from the @@ -162,7 +162,7 @@ private String parse(BufferedReader bufferedReader) { if (m.matches()) { headerParser.setName(m.group(1)); headerParser.setAccession(m.group(1)); // default if no accession found - sequenceLength = Long.valueOf(m.group(2)); + sequenceLength = Integer.valueOf(m.group(2)); String lengthUnits = m.group(3); String type = m.group(6); diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java index b802e9f3cb..8d7fcf9ee8 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java @@ -51,7 +51,7 @@ public class InsdcParser , C extends Compound>{ private boolean isSequenceCircular; - private long sequenceLength; + private int sequenceLength; private final DataSource dataSource; @@ -133,7 +133,7 @@ public void setSequenceCircular(boolean sequenceCircular) { isSequenceCircular = sequenceCircular; } - public void setSequenceLength(long sequenceLength) { + public void setSequenceLength(int sequenceLength) { this.sequenceLength = sequenceLength; } @@ -249,11 +249,34 @@ private List parseLocationString(String string, int versus) throws Par featureGlobalEnd = end; } - AbstractLocation l = new SimpleLocation( - new SimplePoint(start), - new SimplePoint(end), - s - ); + AbstractLocation l; + if (start < end) { + l = new SimpleLocation( + new SimplePoint(start), + new SimplePoint(end), + s + ); + } else { + // in case of location spanning the end point, Location contract wants sublocations + AbstractLocation l5prime = new SimpleLocation( + new SimplePoint(1), + new SimplePoint(end), + Strand.POSITIVE + ); + AbstractLocation l3prime = new SimpleLocation( + new SimplePoint(start), + new SimplePoint(sequenceLength), + Strand.POSITIVE + ); + + l = new SimpleLocation( + new SimplePoint(start), + new SimplePoint(end), // seq length + s, + isSequenceCircular, + Arrays.asList(l5prime, l3prime) + ); + } if(m.group(4) != null && m.group(4).equals("^")) l.setBetweenCompounds(true); From 75c29b693f06ab50b2818f7d634e6de05cf550c8 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sat, 25 Apr 2020 22:53:01 +0100 Subject: [PATCH 114/821] Modified the exception to take in account this particular case --- .../core/sequence/location/template/AbstractLocation.java | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java index 10ee98d1e8..818554c395 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java @@ -128,9 +128,9 @@ protected void assertLocation() { int st = getStart().getPosition(); int e = getEnd().getPosition(); - if (st > e) { + if (st > e && ! circular) { throw new IllegalStateException( - String.format("Start (%d) is greater than end (%d); " + String.format("Start (%d) is greater than end (%d) in non circular sequence; " + "this is an incorrect format", st, e)); } From 5f4ab818e4bb8c6d3f030466eeef2a5f22336f1c Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sun, 26 Apr 2020 22:12:44 +0100 Subject: [PATCH 115/821] even better location management --- .../sequence/location/InsdcLocations.java | 4 +++ .../core/sequence/location/InsdcParser.java | 30 +++++++++---------- .../location/template/AbstractLocation.java | 2 +- 3 files changed, 20 insertions(+), 16 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java index 25b8925c22..5e998c7f99 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java @@ -147,6 +147,10 @@ public GroupLocation(Location... subLocations) { this(Arrays.asList(subLocations)); } + public GroupLocation(boolean isCircular, Location... subLocations) { + this(Arrays.asList(subLocations)); + } + public GroupLocation(Point start, Point end, Strand strand, boolean circular, Location... subLocations) { super(start, end, strand, circular, subLocations); diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java index 8d7fcf9ee8..c40c00b1c5 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java @@ -35,7 +35,6 @@ import java.io.IOException; import java.io.Reader; import java.util.ArrayList; -import java.util.Arrays; import java.util.List; import java.util.regex.Matcher; import java.util.regex.Pattern; @@ -250,32 +249,33 @@ private List parseLocationString(String string, int versus) throws Par } AbstractLocation l; - if (start < end) { + if (start <= end) { l = new SimpleLocation( - new SimplePoint(start), - new SimplePoint(end), + start, + end, s ); } else { // in case of location spanning the end point, Location contract wants sublocations AbstractLocation l5prime = new SimpleLocation( - new SimplePoint(1), - new SimplePoint(end), - Strand.POSITIVE - ); + 1, + end, + Strand.UNDEFINED + ); AbstractLocation l3prime = new SimpleLocation( - new SimplePoint(start), - new SimplePoint(sequenceLength), - Strand.POSITIVE - ); + start, + sequenceLength, + Strand.UNDEFINED + ); - l = new SimpleLocation( + l = new InsdcLocations.GroupLocation( new SimplePoint(start), - new SimplePoint(end), // seq length + new SimplePoint(end), s, isSequenceCircular, - Arrays.asList(l5prime, l3prime) + l5prime, l3prime ); + } if(m.group(4) != null && m.group(4).equals("^")) l.setBetweenCompounds(true); diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java index 818554c395..1b0c06bee1 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java @@ -128,7 +128,7 @@ protected void assertLocation() { int st = getStart().getPosition(); int e = getEnd().getPosition(); - if (st > e && ! circular) { + if (st > e && ! isCircular()) { throw new IllegalStateException( String.format("Start (%d) is greater than end (%d) in non circular sequence; " + "this is an incorrect format", From f014aefc4a6a50a89f6fbb9c5401ee7d6bf04620 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sun, 26 Apr 2020 23:24:26 +0100 Subject: [PATCH 116/821] Improved unit test --- .../nbio/core/sequence/io/GenbankReaderTest.java | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 42eca4a3a1..e8ac4cd8a7 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -24,9 +24,11 @@ import org.biojava.nbio.core.sequence.DNASequence; import org.biojava.nbio.core.sequence.ProteinSequence; import org.biojava.nbio.core.sequence.RNASequence; +import org.biojava.nbio.core.sequence.Strand; import org.biojava.nbio.core.sequence.compound.*; import org.biojava.nbio.core.sequence.features.FeatureInterface; import org.biojava.nbio.core.sequence.features.Qualifier; +import org.biojava.nbio.core.sequence.location.template.AbstractLocation; import org.biojava.nbio.core.sequence.template.AbstractSequence; import org.junit.*; import org.slf4j.Logger; @@ -339,6 +341,14 @@ public void readSequenceWithZeroSpanFeature() throws IOException, CompoundNotFou final DNASequence seq = readGenbankResource("/feature-spans-zero-point-circular-sequence.gb"); assertNotNull(seq); + + final FeatureInterface, NucleotideCompound> f = seq.getFeatures().get(33); + final AbstractLocation fLocation = f.getLocations(); + + assertEquals(true, fLocation.isCircular()); + assertEquals(7028, (int)fLocation.getStart().getPosition()); + assertEquals(286, (int)fLocation.getEnd().getPosition()); + assertEquals(Strand.NEGATIVE, fLocation.getStrand()); } /** From c1a6b157ac2ab74130487b62586ca49517f26172 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sun, 26 Apr 2020 23:39:38 +0100 Subject: [PATCH 117/821] Fixed failing unit test for sequence lengths not compatible with integer. This fix should be propagated to Location class and related. --- .../nbio/core/sequence/io/GenbankSequenceParser.java | 4 ++-- .../biojava/nbio/core/sequence/location/InsdcParser.java | 6 +++--- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index cada9a3238..1953de60dc 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -68,7 +68,7 @@ public class GenbankSequenceParser, C extends Comp private String header; private String accession; private boolean isCircularSequence; - private int sequenceLength; + private long sequenceLength; public LinkedHashMap> mapDB; /** * this data structure collects list of features extracted from the @@ -162,7 +162,7 @@ private String parse(BufferedReader bufferedReader) { if (m.matches()) { headerParser.setName(m.group(1)); headerParser.setAccession(m.group(1)); // default if no accession found - sequenceLength = Integer.valueOf(m.group(2)); + sequenceLength = Long.valueOf(m.group(2)); String lengthUnits = m.group(3); String type = m.group(6); diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java index c40c00b1c5..5972882072 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java @@ -50,7 +50,7 @@ public class InsdcParser , C extends Compound>{ private boolean isSequenceCircular; - private int sequenceLength; + private long sequenceLength; private final DataSource dataSource; @@ -132,7 +132,7 @@ public void setSequenceCircular(boolean sequenceCircular) { isSequenceCircular = sequenceCircular; } - public void setSequenceLength(int sequenceLength) { + public void setSequenceLength(long sequenceLength) { this.sequenceLength = sequenceLength; } @@ -264,7 +264,7 @@ private List parseLocationString(String string, int versus) throws Par ); AbstractLocation l3prime = new SimpleLocation( start, - sequenceLength, + (int) sequenceLength, Strand.UNDEFINED ); From e98bfb7ea6917912e7d75852f2a7969ce6ad2a5f Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Sun, 26 Apr 2020 23:48:33 +0100 Subject: [PATCH 118/821] fixed failing unit test --- .../biojava/nbio/core/sequence/io/GenbankSequenceParser.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 1953de60dc..01c3f4a147 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -180,7 +180,7 @@ private String parse(BufferedReader bufferedReader) { } } - isCircularSequence = m.group(7).equalsIgnoreCase("circular"); + if (m.group(7) != null) isCircularSequence = m.group(7).equalsIgnoreCase("circular"); // configure location parser with needed information locationParser.setSequenceLength(sequenceLength); From 092d9b1603414a89fdc5eed4e49432032ba98c90 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 12:18:05 +0100 Subject: [PATCH 119/821] Usually expected preceeds tested --- .../org/biojava/nbio/core/sequence/io/GenbankReaderTest.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index e8ac4cd8a7..8cdbe00f66 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -214,7 +214,7 @@ public void CDStest() throws Exception { Assert.assertNotNull(codedBy); Assert.assertTrue(!codedBy.isEmpty()); - assertEquals(codedBy, "NM_000266.2:503..904"); + assertEquals("NM_000266.2:503..904", codedBy); assertEquals(5, dbrefs.size()); } From 4ead4890a18b61cbf1d863d45bcf4e2661096fb3 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 20:18:49 +0100 Subject: [PATCH 120/821] deleted unneeded Exception --- .../org/biojava/nbio/core/sequence/io/GenbankReaderTest.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 8cdbe00f66..0bfdc80dd6 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -154,7 +154,7 @@ public void testProcess() throws Exception { * The underlying {@link InputStream} should remain open until the last call. */ @Test - public void testPartialProcess() throws IOException, CompoundNotFoundException, NoSuchFieldException { + public void testPartialProcess() throws IOException, CompoundNotFoundException { CheckableInputStream inStream = new CheckableInputStream(this.getClass().getResourceAsStream("/two-dnaseqs.gb")); GenbankReader genbankDNA From 87eeb7426d85b1fa5efe48931c91b0b89bc50ca0 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 20:21:22 +0100 Subject: [PATCH 121/821] assertion normalization --- .../biojava/nbio/core/sequence/io/GenbankReaderTest.java | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 0bfdc80dd6..b2ffdb32f2 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -202,7 +202,7 @@ public void CDStest() throws Exception { assertTrue(inStream.isclosed()); - Assert.assertTrue(proteinSequences.size() == 1); + Assert.assertEquals(1, proteinSequences.size()); logger.debug("protein sequences: {}", proteinSequences); ProteinSequence protein = new ArrayList<>(proteinSequences.values()).get(0); @@ -213,7 +213,7 @@ public void CDStest() throws Exception { List dbrefs = quals.get("db_xref"); Assert.assertNotNull(codedBy); - Assert.assertTrue(!codedBy.isEmpty()); + Assert.assertFalse(codedBy.isEmpty()); assertEquals("NM_000266.2:503..904", codedBy); assertEquals(5, dbrefs.size()); @@ -345,7 +345,7 @@ public void readSequenceWithZeroSpanFeature() throws IOException, CompoundNotFou final FeatureInterface, NucleotideCompound> f = seq.getFeatures().get(33); final AbstractLocation fLocation = f.getLocations(); - assertEquals(true, fLocation.isCircular()); + assertTrue(fLocation.isCircular()); assertEquals(7028, (int)fLocation.getStart().getPosition()); assertEquals(286, (int)fLocation.getEnd().getPosition()); assertEquals(Strand.NEGATIVE, fLocation.getStrand()); From 83152eddcd33406de7f1b23c6effbee3426e9586 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 20:25:55 +0100 Subject: [PATCH 122/821] deleted un needed methods --- .../core/sequence/io/GenbankReaderTest.java | 19 ------------------- 1 file changed, 19 deletions(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index b2ffdb32f2..0e88790db2 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -53,25 +53,6 @@ public class GenbankReaderTest { private final static Logger logger = LoggerFactory.getLogger(GenbankReaderTest.class); - public GenbankReaderTest() { - } - - @BeforeClass - public static void setUpClass() throws Exception { - } - - @AfterClass - public static void tearDownClass() throws Exception { - } - - @Before - public void setUp() { - } - - @After - public void tearDown() { - } - /** * Test of process method, of class GenbankReader. */ From 370304242e1e0d8eb9195e45c6fedaaae819d296 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 20:41:09 +0100 Subject: [PATCH 123/821] raw type checking fixes --- .../core/sequence/io/GenbankReaderTest.java | 20 ++++++++++--------- 1 file changed, 11 insertions(+), 9 deletions(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 0e88790db2..aa078c3710 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -30,6 +30,8 @@ import org.biojava.nbio.core.sequence.features.Qualifier; import org.biojava.nbio.core.sequence.location.template.AbstractLocation; import org.biojava.nbio.core.sequence.template.AbstractSequence; +import org.biojava.nbio.core.sequence.template.Compound; +import org.biojava.nbio.core.sequence.template.Sequence; import org.junit.*; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -238,7 +240,7 @@ private ProteinSequence readGenbankProteinResource(final String resource) throws private AbstractSequence readUnknownGenbankResource(final String resource) throws IOException, CompoundNotFoundException { InputStream inputStream = getClass().getResourceAsStream(resource); - GenbankSequenceParser genbankParser = new GenbankSequenceParser(); + GenbankSequenceParser, Compound> genbankParser = new GenbankSequenceParser<>(); BufferedReader bufferedReader = new BufferedReader(new InputStreamReader(inputStream)); String seqString = genbankParser.getSequence(bufferedReader, 0); String compoundSet = genbankParser.getCompoundType().getClass().getSimpleName(); @@ -268,48 +270,48 @@ public void testNcbiExpandedAccessionFormats() throws IOException, CompoundNotFo public void testLegacyLocusCompatable() throws IOException, CompoundNotFoundException { // Testing opening a genbank file with uppercase units, strand and topology - AbstractSequence header0 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io/uppercase_locus0.gb"); + AbstractSequence header0 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io/uppercase_locus0.gb"); assertEquals("ABC12.3_DE 7071 BP DS-DNA CIRCULAR SYN 22-JUL-1994", header0.getOriginalHeader()); assertEquals("ABC12.3_DE", header0.getAccession().getID()); assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase SS strand - AbstractSequence header1 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus1.gb"); + AbstractSequence header1 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus1.gb"); assertEquals("ABC12.3_DE 7071 BP SS-DNA CIRCULAR SYN 13-JUL-1994", header1.getOriginalHeader()); assertEquals("ABC12.3_DE", header1.getAccession().getID()); assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase MS strand - AbstractSequence header2 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus2.gb"); + AbstractSequence header2 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus2.gb"); assertEquals("ABC12.3_DE 7071 BP MS-DNA CIRCULAR SYN 13-JUL-1994", header2.getOriginalHeader()); assertEquals("ABC12.3_DE", header2.getAccession().getID()); assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase LINEAR topology - AbstractSequence header3 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus3.gb"); + AbstractSequence header3 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus3.gb"); assertEquals("ABC12.3_DE 7071 BP DNA LINEAR SYN 22-JUL-1994", header3.getOriginalHeader()); assertEquals("ABC12.3_DE", header3.getAccession().getID()); assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase units with no strand or topology - AbstractSequence header4 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus4.gb"); + AbstractSequence header4 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus4.gb"); assertEquals("ABC12.3_DE 7071 BP RNA SYN 13-JUL-1994", header4.getOriginalHeader()); assertEquals("ABC12.3_DE", header4.getAccession().getID()); assertEquals("RNACompoundSet", header4.getCompoundSet().getClass().getSimpleName()); // Testing uppercase units with no strand, topology, division or date - AbstractSequence header5 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus5.gb"); + AbstractSequence header5 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus5.gb"); assertEquals("ABC12.3_DE 7071 BP DNA", header5.getOriginalHeader()); assertEquals("ABC12.3_DE", header5.getAccession().getID()); // Testing uppercase units with no strand, molecule type, topology, division or date - AbstractSequence header6 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus6.gb"); + AbstractSequence header6 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus6.gb"); assertEquals("ABC12.3_DE 7071 BP", header6.getOriginalHeader()); assertEquals("ABC12.3_DE", header6.getAccession().getID()); assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase protein units - AbstractSequence header7 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus7.gb"); + AbstractSequence header7 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus7.gb"); assertEquals("ABC12.3_DE 7071 AA Protein", header7.getOriginalHeader()); assertEquals("ABC12.3_DE", header7.getAccession().getID()); assertEquals("AminoAcidCompoundSet", header7.getCompoundSet().getClass().getSimpleName()); From 4a0cc44e212b1b05531d70d9cfaa377047cc8715 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 20:44:39 +0100 Subject: [PATCH 124/821] this is not suppressing anything --- .../java/org/biojava/nbio/core/sequence/io/GenbankReader.java | 1 - 1 file changed, 1 deletion(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankReader.java index 951cce40c0..97cad4cf49 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankReader.java @@ -153,7 +153,6 @@ public LinkedHashMap process(final int max) throws IOException, Compou } LinkedHashMap sequences = new LinkedHashMap<>(); - @SuppressWarnings("unchecked") int i=0; while(true) { if(max>0 && i>=max) break; From 590b0b52988499f498f6587abab853bde36a6ecc Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 20:59:46 +0100 Subject: [PATCH 125/821] increased type checking --- .../nbio/core/sequence/io/GenbankSequenceParser.java | 8 +++----- .../nbio/core/sequence/location/InsdcLocations.java | 4 ++-- 2 files changed, 5 insertions(+), 7 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 01c3f4a147..71b1b22e88 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -37,10 +37,7 @@ import org.biojava.nbio.core.sequence.compound.AminoAcidCompoundSet; import org.biojava.nbio.core.sequence.compound.DNACompoundSet; import org.biojava.nbio.core.sequence.compound.RNACompoundSet; -import org.biojava.nbio.core.sequence.features.AbstractFeature; -import org.biojava.nbio.core.sequence.features.DBReferenceInfo; -import org.biojava.nbio.core.sequence.features.Qualifier; -import org.biojava.nbio.core.sequence.features.TextFeature; +import org.biojava.nbio.core.sequence.features.*; import org.biojava.nbio.core.sequence.io.template.SequenceParserInterface; import org.biojava.nbio.core.sequence.location.InsdcParser; import org.biojava.nbio.core.sequence.location.template.AbstractLocation; @@ -49,6 +46,7 @@ import org.biojava.nbio.core.sequence.template.AbstractSequence; import org.biojava.nbio.core.sequence.template.Compound; import org.biojava.nbio.core.sequence.template.CompoundSet; +import org.biojava.nbio.core.sequence.template.Sequence; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -292,7 +290,7 @@ private String parse(BufferedReader bufferedReader) { gbFeature.setLocation((AbstractLocation)l); if (!featureCollection.containsKey(key)) { - featureCollection.put(key, new ArrayList()); + featureCollection.put(key, new ArrayList<>()); } featureCollection.get(key).add(gbFeature); } diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java index 5e998c7f99..1aa27459ad 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java @@ -79,7 +79,7 @@ protected final void assertLocation() { * Used to describe a 5' to 3' ordering but no firm assurance it is correct */ public static class OrderLocation extends SimpleLocation { - public OrderLocation(List subLocations){ + public OrderLocation(List subLocations){ super( Location.Tools.getMin(subLocations).getStart(), Location.Tools.getMax(subLocations).getEnd() @@ -132,7 +132,7 @@ public OrderLocation(int start, int end, Strand strand, * locations */ public static class GroupLocation extends SimpleLocation { - public GroupLocation(List subLocations){ + public GroupLocation(List subLocations){ super( Location.Tools.getMin(subLocations).getStart(), Location.Tools.getMax(subLocations).getEnd() From e0e6ce4b248cd25bce4696a171437cc94d10bcba Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 21:02:06 +0100 Subject: [PATCH 126/821] this can be final --- .../biojava/nbio/core/sequence/io/GenbankSequenceParser.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 71b1b22e88..40f2f3ad60 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -75,7 +75,7 @@ public class GenbankSequenceParser, C extends Comp */ private HashMap> featureCollection; - private Logger log = LoggerFactory.getLogger(getClass()); + private final Logger log = LoggerFactory.getLogger(getClass()); // this is a compoundset parsed from header. private CompoundSet compoundType; From b342b92baa65f5c9e1e69b0ebccf34849732eba0 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 21:04:52 +0100 Subject: [PATCH 127/821] better management of not implemented methods --- .../org/biojava/nbio/core/sequence/location/InsdcParser.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java index 5972882072..d749a273da 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java @@ -174,7 +174,7 @@ public Location parse(String locationString) throws ParserException { */ public List parse(Reader reader) throws IOException, ParserException { // use parse(String s) instead! - return null; + throw new UnsupportedOperationException("Not implemented yet."); } private List parseLocationString(String string, int versus) throws ParserException { From d02c2d22cae8c5f17668d03d25b7e3b08555c7ab Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 21:05:41 +0100 Subject: [PATCH 128/821] maybe better to delete, can be recreated eventually needed --- .../nbio/core/sequence/location/InsdcParser.java | 14 -------------- 1 file changed, 14 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java index d749a273da..d3ccd68b45 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java @@ -163,20 +163,6 @@ public Location parse(String locationString) throws ParserException { return l; } - /** - * Reader based version of the parse methods. - * - * @param reader The source of the data; assumes that end of the reader - * stream is the end of the location string to parse - * @return The parsed location - * @throws IOException Thrown with any reader error - * @throws ParserException Thrown with any error with parsing locations - */ - public List parse(Reader reader) throws IOException, ParserException { - // use parse(String s) instead! - throw new UnsupportedOperationException("Not implemented yet."); - } - private List parseLocationString(String string, int versus) throws ParserException { Matcher m; List boundedLocationsCollection = new ArrayList(); From 496ecdcb5f515aa18298e151c4a6d9d19e8bb218 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 21:14:48 +0100 Subject: [PATCH 129/821] never thrown exception --- .../biojava/nbio/core/sequence/io/GenbankSequenceParser.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 40f2f3ad60..820f0b5062 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -400,7 +400,7 @@ private List readSection(BufferedReader bufferedReader) { } @Override - public String getSequence(BufferedReader bufferedReader, int sequenceLength) throws IOException { + public String getSequence(BufferedReader bufferedReader, int sequenceLength) { featureCollection = new HashMap>(); mapDB = new LinkedHashMap>(); headerParser = new GenericGenbankHeaderParser(); From 6307f77bf46ea207d5033ec50d1f96c42f27add4 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 21:17:09 +0100 Subject: [PATCH 130/821] unused --- .../org/biojava/nbio/core/sequence/io/GenbankReaderTest.java | 1 - 1 file changed, 1 deletion(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index aa078c3710..1bd3a04212 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -31,7 +31,6 @@ import org.biojava.nbio.core.sequence.location.template.AbstractLocation; import org.biojava.nbio.core.sequence.template.AbstractSequence; import org.biojava.nbio.core.sequence.template.Compound; -import org.biojava.nbio.core.sequence.template.Sequence; import org.junit.*; import org.slf4j.Logger; import org.slf4j.LoggerFactory; From c6d1475dc5231971f5f0825662f8638f7c7d44fb Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 21:18:30 +0100 Subject: [PATCH 131/821] static is better, wastes less memory --- .../org/biojava/nbio/core/sequence/io/GenbankReaderTest.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 1bd3a04212..f38070c710 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -336,7 +336,7 @@ public void readSequenceWithZeroSpanFeature() throws IOException, CompoundNotFou /** * Helper class to be able to verify the closed state of the input stream. */ - private class CheckableInputStream extends BufferedInputStream { + private static class CheckableInputStream extends BufferedInputStream { private boolean closed; From f013645fb02c86db1caf798d05b13876ed296097 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 21:27:34 +0100 Subject: [PATCH 132/821] Those are not used --- .../biojava/nbio/core/sequence/io/GenbankSequenceParser.java | 1 - .../org/biojava/nbio/core/sequence/location/InsdcParser.java | 2 -- 2 files changed, 3 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 820f0b5062..ad5a64ae1b 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -46,7 +46,6 @@ import org.biojava.nbio.core.sequence.template.AbstractSequence; import org.biojava.nbio.core.sequence.template.Compound; import org.biojava.nbio.core.sequence.template.CompoundSet; -import org.biojava.nbio.core.sequence.template.Sequence; import org.slf4j.Logger; import org.slf4j.LoggerFactory; diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java index d3ccd68b45..011eb71001 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java @@ -32,8 +32,6 @@ import org.biojava.nbio.core.sequence.template.AbstractSequence; import org.biojava.nbio.core.sequence.template.Compound; -import java.io.IOException; -import java.io.Reader; import java.util.ArrayList; import java.util.List; import java.util.regex.Matcher; From 23a02359bfb77ff72646cf2a69491ffe8dbc3b32 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 21:31:47 +0100 Subject: [PATCH 133/821] If read, a section exists. This is redundant --- .../sequence/io/GenbankSequenceParser.java | 21 +++++++++---------- 1 file changed, 10 insertions(+), 11 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index ad5a64ae1b..56ece5e08d 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -220,19 +220,18 @@ private String parse(BufferedReader bufferedReader) { } else if (sectionKey.equals(SOURCE_TAG)) { // ignore - can get all this from the first feature } else if (sectionKey.equals(REFERENCE_TAG)) { - if (!section.isEmpty()) { - GenbankReference genbankReference = new GenbankReference(); - for (String[] ref : section) { - if (ref[0].equals(AUTHORS_TAG)) { - genbankReference.setAuthors(ref[1]); - } else if (ref[0].equals(TITLE_TAG)) { - genbankReference.setTitle(ref[1]); - } else if (ref[0].equals(JOURNAL_TAG)) { - genbankReference.setJournal(ref[1]); - } + GenbankReference genbankReference = new GenbankReference(); + for (String[] ref : section) { + if (ref[0].equals(AUTHORS_TAG)) { + genbankReference.setAuthors(ref[1]); + } else if (ref[0].equals(TITLE_TAG)) { + genbankReference.setTitle(ref[1]); + } else if (ref[0].equals(JOURNAL_TAG)) { + genbankReference.setJournal(ref[1]); } - headerParser.addReference(genbankReference); } + headerParser.addReference(genbankReference); + } else if (sectionKey.equals(COMMENT_TAG)) { // Set up some comments headerParser.setComment(section.get(0)[1]); From e763320e72f3ba50469a1cbeee7424747cc0cafa Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 22:01:55 +0100 Subject: [PATCH 134/821] equals method must check the class of the object. --- .../nbio/core/sequence/location/template/AbstractLocation.java | 1 + 1 file changed, 1 insertion(+) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java index 1b0c06bee1..efe1cc6d6f 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/template/AbstractLocation.java @@ -260,6 +260,7 @@ private List getAllSubLocations(Location location) { @Override public boolean equals(Object obj) { + if (obj.getClass() != this.getClass()) return false; boolean equals = false; if (classEqual(this, obj)) { AbstractLocation l = (AbstractLocation) obj; From 97332ca9f2383101ea13d135a413d7900fc8d950 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 22:05:52 +0100 Subject: [PATCH 135/821] This is a bug --- .../biojava/nbio/core/sequence/io/GenbankSequenceParser.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 56ece5e08d..6021f68c17 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -145,7 +145,7 @@ private String parse(BufferedReader bufferedReader) { sectionKey = section.get(0)[0]; if (sectionKey == null) { //if we reach the end of the file, section contains empty strings - if(section.get(0)[1]==null || section.get(0)[1]=="" || + if(section.get(0)[1]==null || section.get(0)[1].equals("") || section.get(0)[1].length()==0) { throw new ParserException(Messages.ENDOFFILE); } From 869af59b2a94d119c214ae0a450bba92435e433a Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 22:06:40 +0100 Subject: [PATCH 136/821] deleted redundant stuff --- .../nbio/core/sequence/io/GenbankSequenceParser.java | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 6021f68c17..cabb8f4e1b 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -137,7 +137,7 @@ public class GenbankSequenceParser, C extends Comp private String parse(BufferedReader bufferedReader) { - String sectionKey = null; + String sectionKey; List section; // Get an ordered list of key->value pairs in array-tuples do { @@ -330,8 +330,8 @@ private String parse(BufferedReader bufferedReader) { // reads an indented section, combining split lines and creating a list of // key->value tuples private List readSection(BufferedReader bufferedReader) { - List section = new ArrayList(); - String line = ""; + List section = new ArrayList<>(); + String line; String currKey = null; StringBuffer currVal = new StringBuffer(); From 5cedab4bd60383eea7b75ecac466342d17ed1b93 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 22:12:55 +0100 Subject: [PATCH 137/821] Refactored this, no need explicit cast if DBReferenceInfo is needed --- .../nbio/core/sequence/io/GenbankSequenceParser.java | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index cabb8f4e1b..338a90a95e 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -257,11 +257,11 @@ private String parse(BufferedReader bufferedReader) { if (m.matches()) { String dbname = m.group(1); String raccession = m.group(2); - Qualifier xref = new DBReferenceInfo(dbname, raccession); + DBReferenceInfo xref = new DBReferenceInfo(dbname, raccession); gbFeature.addQualifier(key, xref); - ArrayList listDBEntry = new ArrayList(); - listDBEntry.add((DBReferenceInfo) xref); + ArrayList listDBEntry = new ArrayList<>(); + listDBEntry.add(xref); mapDB.put(key, listDBEntry); } else { throw new ParserException("Bad dbxref"); From d02ed45466670665c8d5a2adf01accc7534da63d Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 22:14:55 +0100 Subject: [PATCH 138/821] used more appropriate property comment --- .../core/sequence/io/GenbankSequenceParser.java | 17 ++++++++--------- 1 file changed, 8 insertions(+), 9 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 338a90a95e..08cfe216ad 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -118,12 +118,14 @@ public class GenbankSequenceParser, C extends Comp protected static final Pattern dbxp = Pattern.compile("^([^:]+):(\\S+)$"); protected static final InsdcParser locationParser = new InsdcParser(DataSource.GENBANK); - //sections start at a line and continue till the first line afterwards with a - //non-whitespace first character - //we want to match any of the following as a new section within a section - // \s{0,8} word \s{0,7} value - // \s{21} /word = value - // \s{21} /word + /** + * sections start at a line and continue till the first line afterwards with a + * non-whitespace first character + * we want to match any of the following as a new section within a section + * \s{0,8} word \s{0,7} value + * \s{21} /word = value + * \s{21} /word + */ protected static final Pattern sectp = Pattern.compile("^(\\s{0,8}(\\S+)\\s{0,7}(.*)|\\s{21}(/\\S+?)=(.*)|\\s{21}(/\\S+))$"); protected static final Pattern readableFiles = Pattern.compile(".*(g[bp]k*$|\\u002eg[bp].*)"); @@ -132,9 +134,6 @@ public class GenbankSequenceParser, C extends Comp private static final String PRIMARY = "PRIMARY"; private static final String DBLINK = "DBLINK"; -// private NCBITaxon tax = null; - - private String parse(BufferedReader bufferedReader) { String sectionKey; From 0809c3f8e82c8b49310f97b045aa38b3bc4839b2 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 23:42:32 +0100 Subject: [PATCH 139/821] reduced complexity of this monster --- .../sequence/io/GenbankSequenceParser.java | 333 +++++++++--------- 1 file changed, 175 insertions(+), 158 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 08cfe216ad..3263a47af3 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -106,6 +106,9 @@ public class GenbankSequenceParser, C extends Comp protected static final String BASE_COUNT_TAG = "BASE"; // "CONTIG" protected static final String START_SEQUENCE_TAG = "ORIGIN"; + protected static final String DBSOURCE = "DBSOURCE"; + protected static final String PRIMARY = "PRIMARY"; + protected static final String DBLINK = "DBLINK"; protected static final String END_SEQUENCE_TAG = "//"; // locus line protected static final Pattern lp = Pattern.compile("^(\\S+)\\s+(\\d+)\\s+(bp|BP|aa|AA)\\s{0,4}(([dmsDMS][sS]-)?(\\S+))?\\s*(circular|CIRCULAR|linear|LINEAR)?\\s*(\\S+)?\\s*(\\S+)?$"); @@ -130,9 +133,6 @@ public class GenbankSequenceParser, C extends Comp protected static final Pattern readableFiles = Pattern.compile(".*(g[bp]k*$|\\u002eg[bp].*)"); protected static final Pattern headerLine = Pattern.compile("^LOCUS.*"); - private static final String DBSOURCE = "DBSOURCE"; - private static final String PRIMARY = "PRIMARY"; - private static final String DBLINK = "DBLINK"; private String parse(BufferedReader bufferedReader) { @@ -151,175 +151,192 @@ private String parse(BufferedReader bufferedReader) { throw new ParserException(Messages.SECTIONKEYNULL); } // process section-by-section - if (sectionKey.equals(LOCUS_TAG)) { - String loc = section.get(0)[1]; - header = loc; - Matcher m = lp.matcher(loc); - if (m.matches()) { - headerParser.setName(m.group(1)); - headerParser.setAccession(m.group(1)); // default if no accession found - sequenceLength = Long.valueOf(m.group(2)); - String lengthUnits = m.group(3); - String type = m.group(6); - - if (lengthUnits.equalsIgnoreCase("aa")) { - compoundType = AminoAcidCompoundSet.getAminoAcidCompoundSet(); - } else if (lengthUnits.equalsIgnoreCase("bp")) { - if (type != null) { - if (type.contains("RNA")) { - compoundType = RNACompoundSet.getRNACompoundSet(); - } else { - compoundType = DNACompoundSet.getDNACompoundSet(); - } - } else { - compoundType = DNACompoundSet.getDNACompoundSet(); - } + switch (sectionKey) { + case LOCUS_TAG: parseLocusTag(section); break; + case DEFINITION_TAG: parseDefinitionTag(section); break; + case ACCESSION_TAG: parseAccessionTag(section); break; + case VERSION_TAG: parseVersionTag(section); break; + case KEYWORDS_TAG: break; // not implemented yet + case SOURCE_TAG: break; // ignore - can get all this from the first feature + case REFERENCE_TAG: parseReferenceTag(section); break; + case COMMENT_TAG: parseCommentTag(section); break; + case FEATURE_TAG: parseFeatureTag(section); break; + case BASE_COUNT_TAG: break; // ignore - can calculate from sequence content later if needed + case START_SEQUENCE_TAG: parseStartSequenceTag(section); break; + case DBSOURCE: break; // not implemented yet + case PRIMARY: break; // not implemented yet + case DBLINK: break; // not implemented yet + default: + if(!sectionKey.equals(END_SEQUENCE_TAG)) { + log.info("found unknown section key: "+sectionKey); } + } + } while (!sectionKey.equals(END_SEQUENCE_TAG)); + return seqData; + } - if (m.group(7) != null) isCircularSequence = m.group(7).equalsIgnoreCase("circular"); - - // configure location parser with needed information - locationParser.setSequenceLength(sequenceLength); - locationParser.setSequenceCircular(isCircularSequence); - - log.debug("compound type: {}", compoundType.getClass().getSimpleName()); + private void parseStartSequenceTag(List section) { + // our first line is ignorable as it is the ORIGIN tag + // the second line onwards conveniently have the number as + // the [0] tuple, and sequence string as [1] so all we have + // to do is concat the [1] parts and then strip out spaces, + // and replace '.' and '~' with '-' for our parser. + StringBuffer seq = new StringBuffer(); + for (int i = 1; i < section.size(); i++) { + seq.append(section.get(i)[1]); + } + seqData = seq.toString().replaceAll("\\s+", "").replaceAll("[\\.|~]", "-").toUpperCase(); + } - } else { - throw new ParserException("Bad locus line"); + private void parseFeatureTag(List section) { + // starting from second line of input, start a new feature whenever we come across + // a key that does not start with / + AbstractFeature gbFeature = null; + for (int i = 1; i < section.size(); i++) { + String key = section.get(i)[0]; + String val = section.get(i)[1]; + if (key.startsWith("/")) { + if (gbFeature == null) { + throw new ParserException("Malformed GenBank file: found a qualifier without feature."); } - } else if (sectionKey.equals(DEFINITION_TAG)) { - headerParser.setDescription(section.get(0)[1]); - } else if (sectionKey.equals(ACCESSION_TAG)) { - // if multiple accessions, store only first as accession, - // and store rest in annotation - String[] accs = section.get(0)[1].split("\\s+"); - accession = accs[0].trim(); - headerParser.setAccession(accession); - } else if (sectionKey.equals(VERSION_TAG)) { - String ver = section.get(0)[1]; - Matcher m = vp.matcher(ver); - if (m.matches()) { - String verAcc = m.group(1); - if (!accession.equals(verAcc)) { - // the version refers to a different accession! - // believe the version line, and store the original - // accession away in the additional accession set - accession = verAcc; - } - if (m.group(3) != null) { - headerParser.setVersion(Integer.parseInt(m.group(3))); - } - if (m.group(5) != null) { - headerParser.setIdentifier(m.group(5)); - } - } else { - throw new ParserException("Bad version line"); + key = key.substring(1); // strip leading slash + val = val.replaceAll("\\s*[\\n\\r]+\\s*", " ").trim(); + if (val.endsWith("\"")) { + val = val.substring(1, val.length() - 1); // strip quotes } - } else if (sectionKey.equals(KEYWORDS_TAG)) { - } else if (sectionKey.equals(SOURCE_TAG)) { - // ignore - can get all this from the first feature - } else if (sectionKey.equals(REFERENCE_TAG)) { - GenbankReference genbankReference = new GenbankReference(); - for (String[] ref : section) { - if (ref[0].equals(AUTHORS_TAG)) { - genbankReference.setAuthors(ref[1]); - } else if (ref[0].equals(TITLE_TAG)) { - genbankReference.setTitle(ref[1]); - } else if (ref[0].equals(JOURNAL_TAG)) { - genbankReference.setJournal(ref[1]); + // parameter on old feature + if (key.equals("db_xref")) { + Matcher m = dbxp.matcher(val); + if (m.matches()) { + String dbname = m.group(1); + String raccession = m.group(2); + DBReferenceInfo xref = new DBReferenceInfo(dbname, raccession); + gbFeature.addQualifier(key, xref); + + ArrayList listDBEntry = new ArrayList<>(); + listDBEntry.add(xref); + mapDB.put(key, listDBEntry); + } else { + throw new ParserException("Bad dbxref"); } - } - headerParser.addReference(genbankReference); - - } else if (sectionKey.equals(COMMENT_TAG)) { - // Set up some comments - headerParser.setComment(section.get(0)[1]); - } else if (sectionKey.equals(FEATURE_TAG)) { - // starting from second line of input, start a new feature whenever we come across - // a key that does not start with / - AbstractFeature gbFeature = null; - for (int i = 1; i < section.size(); i++) { - String key = section.get(i)[0]; - String val = section.get(i)[1]; - if (key.startsWith("/")) { - if (gbFeature == null) { - throw new ParserException("Malformed GenBank file: found a qualifier without feature."); - } - key = key.substring(1); // strip leading slash - val = val.replaceAll("\\s*[\\n\\r]+\\s*", " ").trim(); - if (val.endsWith("\"")) { - val = val.substring(1, val.length() - 1); // strip quotes - } - // parameter on old feature - if (key.equals("db_xref")) { - Matcher m = dbxp.matcher(val); - if (m.matches()) { - String dbname = m.group(1); - String raccession = m.group(2); - DBReferenceInfo xref = new DBReferenceInfo(dbname, raccession); - gbFeature.addQualifier(key, xref); - - ArrayList listDBEntry = new ArrayList<>(); - listDBEntry.add(xref); - mapDB.put(key, listDBEntry); - } else { - throw new ParserException("Bad dbxref"); - } - } else if (key.equalsIgnoreCase("organism")) { - Qualifier q = new Qualifier(key, val.replace('\n', ' ')); - gbFeature.addQualifier(key, q); - } else { - if (key.equalsIgnoreCase("translation")) { - // strip spaces from sequence - val = val.replaceAll("\\s+", ""); - Qualifier q = new Qualifier(key, val); - gbFeature.addQualifier(key, q); - } else { - Qualifier q = new Qualifier(key, val); - gbFeature.addQualifier(key, q); - } - } + } else if (key.equalsIgnoreCase("organism")) { + Qualifier q = new Qualifier(key, val.replace('\n', ' ')); + gbFeature.addQualifier(key, q); + } else { + if (key.equalsIgnoreCase("translation")) { + // strip spaces from sequence + val = val.replaceAll("\\s+", ""); + Qualifier q = new Qualifier(key, val); + gbFeature.addQualifier(key, q); } else { - // new feature! - gbFeature = new TextFeature(key, val, key, key); - Location l = - locationParser.parse(val); - gbFeature.setLocation((AbstractLocation)l); - - if (!featureCollection.containsKey(key)) { - featureCollection.put(key, new ArrayList<>()); - } - featureCollection.get(key).add(gbFeature); + Qualifier q = new Qualifier(key, val); + gbFeature.addQualifier(key, q); } } - } else if (sectionKey.equals(BASE_COUNT_TAG)) { - // ignore - can calculate from sequence content later if needed - } else if (sectionKey.equals(START_SEQUENCE_TAG)) { - // our first line is ignorable as it is the ORIGIN tag - // the second line onwards conveniently have the number as - // the [0] tuple, and sequence string as [1] so all we have - // to do is concat the [1] parts and then strip out spaces, - // and replace '.' and '~' with '-' for our parser. - StringBuffer seq = new StringBuffer(); - for (int i = 1; i < section.size(); i++) { - seq.append(section.get(i)[1]); - } - seqData = seq.toString().replaceAll("\\s+", "").replaceAll("[\\.|~]", "-").toUpperCase(); - } else if(sectionKey.equals(DBSOURCE)) { - //TODO - } else if(sectionKey.equals(PRIMARY)) { - //TODO - } else if(sectionKey.equals(DBLINK)) { - //TODO } else { - if(!sectionKey.equals(END_SEQUENCE_TAG)) { - log.info("found unknown section key: "+sectionKey); + // new feature! + gbFeature = new TextFeature(key, val, key, key); + Location l = + locationParser.parse(val); + gbFeature.setLocation((AbstractLocation)l); + + if (!featureCollection.containsKey(key)) { + featureCollection.put(key, new ArrayList<>()); } + featureCollection.get(key).add(gbFeature); } - } while (!sectionKey.equals(END_SEQUENCE_TAG)); - return seqData; + } } + private void parseCommentTag(List section) { + headerParser.setComment(section.get(0)[1]); + } + + private void parseReferenceTag(List section) { + GenbankReference genbankReference = new GenbankReference(); + for (String[] ref : section) { + if (ref[0].equals(AUTHORS_TAG)) { + genbankReference.setAuthors(ref[1]); + } else if (ref[0].equals(TITLE_TAG)) { + genbankReference.setTitle(ref[1]); + } else if (ref[0].equals(JOURNAL_TAG)) { + genbankReference.setJournal(ref[1]); + } + } + headerParser.addReference(genbankReference); + } + + private void parseVersionTag(List section) { + String ver = section.get(0)[1]; + Matcher m = vp.matcher(ver); + if (m.matches()) { + String verAcc = m.group(1); + if (!accession.equals(verAcc)) { + // the version refers to a different accession! + // believe the version line, and store the original + // accession away in the additional accession set + accession = verAcc; + } + if (m.group(3) != null) { + headerParser.setVersion(Integer.parseInt(m.group(3))); + } + if (m.group(5) != null) { + headerParser.setIdentifier(m.group(5)); + } + } else { + throw new ParserException("Bad version line"); + } + } + + private void parseAccessionTag(List section) { + // if multiple accessions, store only first as accession, + // and store rest in annotation + String[] accs = section.get(0)[1].split("\\s+"); + accession = accs[0].trim(); + headerParser.setAccession(accession); + } + + private void parseDefinitionTag(List section) { + headerParser.setDescription(section.get(0)[1]); + } + + private void parseLocusTag(List section) { + String loc = section.get(0)[1]; + header = loc; + Matcher m = lp.matcher(loc); + if (m.matches()) { + headerParser.setName(m.group(1)); + headerParser.setAccession(m.group(1)); // default if no accession found + sequenceLength = Long.valueOf(m.group(2)); + String lengthUnits = m.group(3); + String type = m.group(6); + + if (lengthUnits.equalsIgnoreCase("aa")) { + compoundType = AminoAcidCompoundSet.getAminoAcidCompoundSet(); + } else if (lengthUnits.equalsIgnoreCase("bp")) { + if (type != null) { + if (type.contains("RNA")) { + compoundType = RNACompoundSet.getRNACompoundSet(); + } else { + compoundType = DNACompoundSet.getDNACompoundSet(); + } + } else { + compoundType = DNACompoundSet.getDNACompoundSet(); + } + } + + if (m.group(7) != null) isCircularSequence = m.group(7).equalsIgnoreCase("circular"); + + // configure location parser with needed information + locationParser.setSequenceLength(sequenceLength); + locationParser.setSequenceCircular(isCircularSequence); + + log.debug("compound type: {}", compoundType.getClass().getSimpleName()); + + } else { + throw new ParserException("Bad locus line"); + } + } // reads an indented section, combining split lines and creating a list of From 56138e5c4c9e4e18672016c7c35f5f98f1ace5f5 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 23:44:23 +0100 Subject: [PATCH 140/821] deleted un needed --- .../nbio/core/sequence/io/GenbankSequenceParser.java | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 3263a47af3..93ee112d69 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -415,9 +415,9 @@ private List readSection(BufferedReader bufferedReader) { @Override public String getSequence(BufferedReader bufferedReader, int sequenceLength) { - featureCollection = new HashMap>(); - mapDB = new LinkedHashMap>(); - headerParser = new GenericGenbankHeaderParser(); + featureCollection = new HashMap<>(); + mapDB = new LinkedHashMap<>(); + headerParser = new GenericGenbankHeaderParser<>(); try { parse(bufferedReader); } catch (ParserException e) { @@ -441,7 +441,7 @@ public LinkedHashMap> getDatabaseReferences() } public ArrayList getKeyWords() { - return new ArrayList(featureCollection.keySet()); + return new ArrayList<>(featureCollection.keySet()); } public ArrayList getFeatures(String keyword) { From 9bb6610efcc63f02ea4aef77d006dd047170fc3d Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 23:48:55 +0100 Subject: [PATCH 141/821] better log management --- .../biojava/nbio/core/sequence/io/GenbankSequenceParser.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 93ee112d69..ddd5c3312e 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -168,7 +168,7 @@ private String parse(BufferedReader bufferedReader) { case DBLINK: break; // not implemented yet default: if(!sectionKey.equals(END_SEQUENCE_TAG)) { - log.info("found unknown section key: "+sectionKey); + log.info("found unknown section key: %", sectionKey); } } } while (!sectionKey.equals(END_SEQUENCE_TAG)); From 545c18d7252150c3cd27544ab344c42a187711b6 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 27 Apr 2020 23:52:37 +0100 Subject: [PATCH 142/821] replaced obsolete StringBuffer with StringBuilder. It is much faster. --- .../nbio/core/sequence/io/GenbankSequenceParser.java | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index ddd5c3312e..24579164b5 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -181,7 +181,7 @@ private void parseStartSequenceTag(List section) { // the [0] tuple, and sequence string as [1] so all we have // to do is concat the [1] parts and then strip out spaces, // and replace '.' and '~' with '-' for our parser. - StringBuffer seq = new StringBuffer(); + StringBuilder seq = new StringBuilder(); for (int i = 1; i < section.size(); i++) { seq.append(section.get(i)[1]); } @@ -350,7 +350,7 @@ private List readSection(BufferedReader bufferedReader) { String line; String currKey = null; - StringBuffer currVal = new StringBuffer(); + StringBuilder currVal = new StringBuilder(); boolean done = false; int linecount = 0; @@ -385,7 +385,7 @@ private List readSection(BufferedReader bufferedReader) { // not null currKey = m.group(2) == null ? (m.group(4) == null ? m .group(6) : m.group(4)) : m.group(2); - currVal = new StringBuffer(); + currVal = new StringBuilder(); // val = group(3) if group(2) not null, group(5) if // group(4) not null, "" otherwise, trimmed currVal.append((m.group(2) == null ? (m.group(4) == null ? "" From a22ed4153873b66be7b44bedaf634bc29f7ec11b Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Tue, 28 Apr 2020 00:17:22 +0100 Subject: [PATCH 143/821] formatting --- .../biojava/nbio/core/sequence/io/GenbankSequenceParser.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 24579164b5..e1da7416a3 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -386,7 +386,7 @@ private List readSection(BufferedReader bufferedReader) { currKey = m.group(2) == null ? (m.group(4) == null ? m .group(6) : m.group(4)) : m.group(2); currVal = new StringBuilder(); - // val = group(3) if group(2) not null, group(5) if + // val = group(3) if group(2) not null, group(5) if // group(4) not null, "" otherwise, trimmed currVal.append((m.group(2) == null ? (m.group(4) == null ? "" : m.group(5)) From 7070bc6f4cc95d69563e5ade6a5b2859afd3a2b8 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Tue, 28 Apr 2020 00:38:16 +0100 Subject: [PATCH 144/821] combined exceptions --- .../biojava/nbio/core/sequence/io/GenbankSequenceParser.java | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index e1da7416a3..1d61a51708 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -405,9 +405,7 @@ private List readSection(BufferedReader bufferedReader) { } } } - } catch (IOException e) { - throw new ParserException(e.getMessage()); - } catch (RuntimeException e) { + } catch (IOException | RuntimeException e) { throw new ParserException(e.getMessage()); } return section; From dd585c96724d778c39c664494ed7afbb364afb24 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Tue, 28 Apr 2020 00:46:21 +0100 Subject: [PATCH 145/821] using interfaces instead of implementations --- .../core/sequence/io/GenbankSequenceParser.java | 13 +++++-------- 1 file changed, 5 insertions(+), 8 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 1d61a51708..82f7df4af3 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -51,10 +51,7 @@ import java.io.BufferedReader; import java.io.IOException; -import java.util.ArrayList; -import java.util.HashMap; -import java.util.LinkedHashMap; -import java.util.List; +import java.util.*; import java.util.regex.Matcher; import java.util.regex.Pattern; @@ -434,18 +431,18 @@ public GenericGenbankHeaderParser getSequenceHeaderParser() { return headerParser; } - public LinkedHashMap> getDatabaseReferences() { + public Map> getDatabaseReferences() { return mapDB; } - public ArrayList getKeyWords() { + public List getKeyWords() { return new ArrayList<>(featureCollection.keySet()); } - public ArrayList getFeatures(String keyword) { + public List getFeatures(String keyword) { return featureCollection.get(keyword); } - public HashMap> getFeatures() { + public Map> getFeatures() { return featureCollection; } From b0ac102b880ebe32a184221e7b40d238aff76165 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Tue, 28 Apr 2020 00:48:42 +0100 Subject: [PATCH 146/821] again, substituted implementation with interface --- .../biojava/nbio/core/sequence/io/GenbankSequenceParser.java | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index 82f7df4af3..d2ccdbcf09 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -62,8 +62,7 @@ public class GenbankSequenceParser, C extends Comp private String header; private String accession; private boolean isCircularSequence; - private long sequenceLength; - public LinkedHashMap> mapDB; + public Map> mapDB; /** * this data structure collects list of features extracted from the * FEATURE_TAG section They are organized by list of the same type (i.e. @@ -304,7 +303,7 @@ private void parseLocusTag(List section) { if (m.matches()) { headerParser.setName(m.group(1)); headerParser.setAccession(m.group(1)); // default if no accession found - sequenceLength = Long.valueOf(m.group(2)); + long sequenceLength = Long.valueOf(m.group(2)); String lengthUnits = m.group(3); String type = m.group(6); From fc6352758ab5cfa3225c576d2806434eb376118b Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Tue, 28 Apr 2020 01:07:08 +0100 Subject: [PATCH 147/821] deep substitution of implementations with interfaces --- .../features/DatabaseReferenceInterface.java | 4 +++- .../core/sequence/features/FeatureRetriever.java | 7 ++++--- .../sequence/features/FeaturesKeyWordInterface.java | 4 ++-- .../nbio/core/sequence/io/GenbankReader.java | 2 +- .../core/sequence/io/GenbankSequenceParser.java | 8 ++++---- .../sequence/loader/GenbankProxySequenceReader.java | 12 +++++------- .../sequence/loader/UniprotProxySequenceReader.java | 13 +++++-------- .../core/sequence/template/AbstractSequence.java | 2 +- .../loader/GenbankProxySequenceReaderTest.java | 3 ++- 9 files changed, 27 insertions(+), 28 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/DatabaseReferenceInterface.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/DatabaseReferenceInterface.java index 0cb3ea5d8c..20c00034dd 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/DatabaseReferenceInterface.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/DatabaseReferenceInterface.java @@ -24,6 +24,8 @@ import java.util.ArrayList; import java.util.LinkedHashMap; +import java.util.List; +import java.util.Map; /** * If a SequenceProxyReader implements this interface then that external source @@ -32,5 +34,5 @@ */ public interface DatabaseReferenceInterface { - public LinkedHashMap> getDatabaseReferences(); + public Map> getDatabaseReferences(); } diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeatureRetriever.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeatureRetriever.java index bd2d48afee..3e2269f410 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeatureRetriever.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeatureRetriever.java @@ -22,13 +22,14 @@ package org.biojava.nbio.core.sequence.features; -import java.util.ArrayList; -import java.util.HashMap; +import java.util.List; +import java.util.Map; + /** * If a SequenceProxyReader implements this interface then that external source * has a list features * @author @author Paolo Pavan */ public interface FeatureRetriever { - HashMap> getFeatures(); + Map> getFeatures(); } diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeaturesKeyWordInterface.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeaturesKeyWordInterface.java index 9674d1abee..1b1acd994e 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeaturesKeyWordInterface.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeaturesKeyWordInterface.java @@ -22,7 +22,7 @@ package org.biojava.nbio.core.sequence.features; -import java.util.ArrayList; +import java.util.List; /** * Models the keywords that are annotated for a protein sequence at Uniprot. If a ProxySequenceReader @@ -36,5 +36,5 @@ public interface FeaturesKeyWordInterface { * * @return */ - public ArrayList getKeyWords() ; + public List getKeyWords() ; } diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankReader.java index 97cad4cf49..129c47a733 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankReader.java @@ -170,7 +170,7 @@ public LinkedHashMap process(final int max) throws IOException, Compou .forEach(sequence::addFeature); // add taxonomy ID to new sequence - ArrayList dbQualifier = genbankParser.getDatabaseReferences().get("db_xref"); + List dbQualifier = genbankParser.getDatabaseReferences().get("db_xref"); if (dbQualifier != null){ DBReferenceInfo q = dbQualifier.get(0); sequence.setTaxonomy(new TaxonomyID(q.getDatabase()+":"+q.getId(), DataSource.GENBANK)); diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index d2ccdbcf09..df2c31a985 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -62,13 +62,13 @@ public class GenbankSequenceParser, C extends Comp private String header; private String accession; private boolean isCircularSequence; - public Map> mapDB; + private Map> mapDB; /** * this data structure collects list of features extracted from the * FEATURE_TAG section They are organized by list of the same type (i.e. * same genbank Feature) and are provided with location */ - private HashMap> featureCollection; + private HashMap> featureCollection; private final Logger log = LoggerFactory.getLogger(getClass()); @@ -430,7 +430,7 @@ public GenericGenbankHeaderParser getSequenceHeaderParser() { return headerParser; } - public Map> getDatabaseReferences() { + public Map> getDatabaseReferences() { return mapDB; } @@ -441,7 +441,7 @@ public List getKeyWords() { public List getFeatures(String keyword) { return featureCollection.get(keyword); } - public Map> getFeatures() { + public Map> getFeatures() { return featureCollection; } diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReader.java index 2b74f9cacd..99f8d1b779 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReader.java @@ -55,9 +55,7 @@ import java.io.InputStreamReader; import java.net.URL; import java.net.URLConnection; -import java.util.ArrayList; -import java.util.HashMap; -import java.util.LinkedHashMap; +import java.util.*; /** * @author Karl Nicholas @@ -72,7 +70,7 @@ public class GenbankProxySequenceReader extends StringProxyS private GenbankSequenceParser, C> genbankParser; private GenericGenbankHeaderParser, C> headerParser; private String header; - private HashMap> features; + private Map> features; /** @@ -182,17 +180,17 @@ public GenericGenbankHeaderParser, C> getHeaderParser() { return headerParser; } @Override - public HashMap> getFeatures() { + public Map> getFeatures() { return features; } @Override - public LinkedHashMap> getDatabaseReferences() { + public Map> getDatabaseReferences() { return genbankParser.getDatabaseReferences(); } @Override - public ArrayList getKeyWords() { + public List getKeyWords() { return genbankParser.getKeyWords(); } diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java index f7f51d89bb..80c57649e0 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java @@ -50,10 +50,7 @@ import java.net.HttpURLConnection; import java.net.URL; import java.rmi.RemoteException; -import java.util.ArrayList; -import java.util.Iterator; -import java.util.LinkedHashMap; -import java.util.List; +import java.util.*; import java.util.regex.Pattern; /** @@ -816,8 +813,8 @@ public ArrayList getKeyWords() { * @return */ @Override - public LinkedHashMap> getDatabaseReferences() { - LinkedHashMap> databaseReferencesHashMap = new LinkedHashMap>(); + public Map> getDatabaseReferences() { + Map> databaseReferencesHashMap = new LinkedHashMap<>(); if (uniprotDoc == null) { return databaseReferencesHashMap; } @@ -829,7 +826,7 @@ public LinkedHashMap> getDatabaseReferences() for (Element element : dbreferenceElementList) { String type = element.getAttribute("type"); String id = element.getAttribute("id"); - ArrayList idlist = databaseReferencesHashMap.get(type); + List idlist = databaseReferencesHashMap.get(type); if (idlist == null) { idlist = new ArrayList(); databaseReferencesHashMap.put(type, idlist); @@ -846,7 +843,7 @@ public LinkedHashMap> getDatabaseReferences() } } catch (XPathExpressionException e) { logger.error("Problems while parsing db references in UniProt XML: {}. No db references will be available.",e.getMessage()); - return new LinkedHashMap>(); + return new LinkedHashMap<>(); } return databaseReferencesHashMap; diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractSequence.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractSequence.java index 7e0228a976..3a7da01d9e 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractSequence.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractSequence.java @@ -126,7 +126,7 @@ public void setProxySequenceReader(SequenceReader proxyLoader) { if (proxyLoader instanceof FeatureRetriever) { this.setFeatureRetriever((FeatureRetriever) sequenceStorage); - HashMap> ff = getFeatureRetriever().getFeatures(); + Map> ff = getFeatureRetriever().getFeatures(); for (String k: ff.keySet()){ for (AbstractFeature f: ff.get(k)){ this.addFeature(f); diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java index 647d86df4d..9ed0b4029b 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java @@ -45,6 +45,7 @@ import java.util.ArrayList; import java.util.Arrays; import java.util.Collection; +import java.util.List; /** * Testing example for issue #834 @@ -187,7 +188,7 @@ public void testProteinSequenceFactoring() throws Exception { ProteinSequence seq = new ProteinSequence(genbankReader); // if target protein contain CDS/coded_by than it should contain parent nucleotide seq - ArrayList CDSs = genbankReader.getFeatures().get("CDS"); + List CDSs = genbankReader.getFeatures().get("CDS"); if (CDSs != null) { if (CDSs.size() == 1) { From df609610758fa29112b2cc7e9b15d25ca34560a6 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Thu, 30 Apr 2020 09:42:29 +0100 Subject: [PATCH 148/821] deleted commented out old code --- .../nbio/core/sequence/location/InsdcParser.java | 13 +------------ 1 file changed, 1 insertion(+), 12 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java index 011eb71001..7071a4ce1b 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcParser.java @@ -23,14 +23,11 @@ import org.biojava.nbio.core.exceptions.ParserException; import org.biojava.nbio.core.sequence.AccessionID; -import org.biojava.nbio.core.sequence.DNASequence; import org.biojava.nbio.core.sequence.DataSource; import org.biojava.nbio.core.sequence.Strand; import org.biojava.nbio.core.sequence.location.template.AbstractLocation; import org.biojava.nbio.core.sequence.location.template.Location; import org.biojava.nbio.core.sequence.location.template.Point; -import org.biojava.nbio.core.sequence.template.AbstractSequence; -import org.biojava.nbio.core.sequence.template.Compound; import java.util.ArrayList; import java.util.List; @@ -45,7 +42,7 @@ * @author jgrzebyta * @author Paolo Pavan */ -public class InsdcParser , C extends Compound>{ +public class InsdcParser { private boolean isSequenceCircular; private long sequenceLength; @@ -56,10 +53,6 @@ public class InsdcParser , C extends Compound>{ * parse a location. if group(1) is null than the feature is on the positive * strand, group(2) start position, group(3) end position. */ - // why in the location the first character was ignored? - //protected static final Pattern singleLocationPattern = Pattern.compile("(?:[A-Z]([A-Za-z\\.0-9_]*?):)?(?)(\\d+)?(>?)?"); - - // fixed issue #254 protected static final Pattern singleLocationPattern = Pattern.compile("(?:([A-Za-z\\.0-9_]*?):)?(?)(\\d+)?(>?)?"); /** * Decodes a split pattern. Split patterns are a composition of multiple @@ -95,9 +88,6 @@ public class InsdcParser , C extends Compound>{ */ protected Integer featureGlobalStart, featureGlobalEnd; - //private S referenceSequence = new org.biojava.nbio.core.sequence.DNASequence(); - private AbstractSequence referenceSequence = new DNASequence(); - enum complexFeaturesAppendEnum { FLATTEN, HIERARCHICAL; @@ -165,7 +155,6 @@ private List parseLocationString(String string, int versus) throws Par Matcher m; List boundedLocationsCollection = new ArrayList(); - //String[] tokens = string.split(locationSplitPattern); List tokens = splitString(string); for (String t : tokens) { m = genbankSplitPattern.matcher(t); From 8040e3976f2f41a1e1671d8f347af12f3afa003e Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Thu, 30 Apr 2020 17:01:34 +0100 Subject: [PATCH 149/821] Fixed impact of refactoring on genome module --- .../genome/homology/GFF3FromUniprotBlastHits.java | 14 ++++++++------ 1 file changed, 8 insertions(+), 6 deletions(-) diff --git a/biojava-genome/src/main/java/org/biojava/nbio/genome/homology/GFF3FromUniprotBlastHits.java b/biojava-genome/src/main/java/org/biojava/nbio/genome/homology/GFF3FromUniprotBlastHits.java index 0910b6b68d..b9696f7aaf 100644 --- a/biojava-genome/src/main/java/org/biojava/nbio/genome/homology/GFF3FromUniprotBlastHits.java +++ b/biojava-genome/src/main/java/org/biojava/nbio/genome/homology/GFF3FromUniprotBlastHits.java @@ -41,6 +41,8 @@ import java.io.OutputStream; import java.util.ArrayList; import java.util.LinkedHashMap; +import java.util.List; +import java.util.Map; /** * @@ -160,7 +162,7 @@ PairwiseSequenceAlignerType.LOCAL, new SimpleGapPenalty(), FeaturesKeyWordInterface featureKeyWords = proteinSequence.getFeaturesKeyWord(); String notes = ""; if (featureKeyWords != null) { - ArrayList keyWords = featureKeyWords.getKeyWords(); + List keyWords = featureKeyWords.getKeyWords(); if (keyWords.size() > 0) { notes = ";Note="; for (String note : keyWords) { @@ -180,11 +182,11 @@ PairwiseSequenceAlignerType.LOCAL, new SimpleGapPenalty(), DatabaseReferenceInterface databaseReferences = proteinSequence.getDatabaseReferences(); if (databaseReferences != null) { - LinkedHashMap> databaseReferenceHashMap = databaseReferences.getDatabaseReferences(); - ArrayList pfamList = databaseReferenceHashMap.get("Pfam"); - ArrayList cazyList = databaseReferenceHashMap.get("CAZy"); - ArrayList goList = databaseReferenceHashMap.get("GO"); - ArrayList eccList = databaseReferenceHashMap.get("BRENDA"); + Map> databaseReferenceHashMap = databaseReferences.getDatabaseReferences(); + List pfamList = databaseReferenceHashMap.get("Pfam"); + List cazyList = databaseReferenceHashMap.get("CAZy"); + List goList = databaseReferenceHashMap.get("GO"); + List eccList = databaseReferenceHashMap.get("BRENDA"); if (pfamList != null && pfamList.size() > 0) { if (notes.length() == 0) { notes = ";Note="; From b6fe385d7a23c8ccbdbfaec4afa2f9ba4cbd3a2c Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Fri, 1 May 2020 18:58:17 +0100 Subject: [PATCH 150/821] added type checking --- .../nbio/core/sequence/io/GenbankSequenceParser.java | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index df2c31a985..d5c5415107 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -37,7 +37,10 @@ import org.biojava.nbio.core.sequence.compound.AminoAcidCompoundSet; import org.biojava.nbio.core.sequence.compound.DNACompoundSet; import org.biojava.nbio.core.sequence.compound.RNACompoundSet; -import org.biojava.nbio.core.sequence.features.*; +import org.biojava.nbio.core.sequence.features.AbstractFeature; +import org.biojava.nbio.core.sequence.features.DBReferenceInfo; +import org.biojava.nbio.core.sequence.features.Qualifier; +import org.biojava.nbio.core.sequence.features.TextFeature; import org.biojava.nbio.core.sequence.io.template.SequenceParserInterface; import org.biojava.nbio.core.sequence.location.InsdcParser; import org.biojava.nbio.core.sequence.location.template.AbstractLocation; @@ -447,7 +450,7 @@ public Map> getFeatures() { public void parseFeatures(AbstractSequence sequence) { for (String k: featureCollection.keySet()) - for (AbstractFeature f: featureCollection.get(k)) + for (AbstractFeature, C> f: featureCollection.get(k)) sequence.addFeature(f); } From caaba8683de392b3268314abe037fa73a94ef6e6 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Fri, 1 May 2020 18:58:59 +0100 Subject: [PATCH 151/821] this cast is legal --- .../nbio/core/sequence/loader/UniprotProxySequenceReader.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java index 80c57649e0..ae8c8207aa 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java @@ -238,7 +238,7 @@ public boolean equals(Object o){ if(! Equals.classEqual(this, o)) { return false; } - + @SuppressWarnings("unchecked") Sequence other = (Sequence)o; if ( other.getCompoundSet() != getCompoundSet()) return false; From 5b213325d1a88eb68bae8bcfc6312cfd8f1b1924 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Fri, 1 May 2020 19:19:56 +0100 Subject: [PATCH 152/821] better typing fix --- .../sequence/loader/GenbankProxySequenceReaderTest.java | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java index 9ed0b4029b..33a2b3919e 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java @@ -42,10 +42,10 @@ import java.io.InputStream; import java.nio.channels.Channels; import java.nio.channels.ReadableByteChannel; -import java.util.ArrayList; import java.util.Arrays; import java.util.Collection; import java.util.List; +import java.util.Map; /** * Testing example for issue #834 @@ -192,8 +192,9 @@ public void testProteinSequenceFactoring() throws Exception { if (CDSs != null) { if (CDSs.size() == 1) { - ArrayList qualifiers = (ArrayList)CDSs.get(0).getQualifiers().get("coded_by"); - Qualifier codedBy = qualifiers.get(0); + final Map> qualifiers = CDSs.get(0).getQualifiers(); + List codedByQualifiers = qualifiers.get("coded_by"); + Qualifier codedBy = codedByQualifiers.get(0); if (codedBy != null) { AbstractSequence parentSeq = seq.getParentSequence(); From e7407f98728560f73f45508c9224b4f54e1117df Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Fri, 1 May 2020 19:56:09 +0100 Subject: [PATCH 153/821] better typing fix --- .../sequence/features/FeatureRetriever.java | 7 ++++-- .../sequence/io/GenbankSequenceParser.java | 6 ++--- .../loader/GenbankProxySequenceReader.java | 22 +++++-------------- .../sequence/template/AbstractSequence.java | 2 +- .../GenbankProxySequenceReaderTest.java | 2 +- 5 files changed, 16 insertions(+), 23 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeatureRetriever.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeatureRetriever.java index 3e2269f410..039b707081 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeatureRetriever.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/features/FeatureRetriever.java @@ -22,6 +22,9 @@ package org.biojava.nbio.core.sequence.features; +import org.biojava.nbio.core.sequence.template.AbstractSequence; +import org.biojava.nbio.core.sequence.template.Compound; + import java.util.List; import java.util.Map; @@ -30,6 +33,6 @@ * has a list features * @author @author Paolo Pavan */ -public interface FeatureRetriever { - Map> getFeatures(); +public interface FeatureRetriever { + Map, C>>> getFeatures(); } diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java index d5c5415107..70462a9c0b 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/io/GenbankSequenceParser.java @@ -71,7 +71,7 @@ public class GenbankSequenceParser, C extends Comp * FEATURE_TAG section They are organized by list of the same type (i.e. * same genbank Feature) and are provided with location */ - private HashMap> featureCollection; + private Map, C>>> featureCollection; private final Logger log = LoggerFactory.getLogger(getClass()); @@ -441,10 +441,10 @@ public List getKeyWords() { return new ArrayList<>(featureCollection.keySet()); } - public List getFeatures(String keyword) { + public List, C>> getFeatures(String keyword) { return featureCollection.get(keyword); } - public Map> getFeatures() { + public Map, C>>> getFeatures() { return featureCollection; } diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReader.java index 99f8d1b779..3a22d91f19 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReader.java @@ -32,11 +32,7 @@ import org.biojava.nbio.core.sequence.compound.AminoAcidCompoundSet; import org.biojava.nbio.core.sequence.compound.DNACompoundSet; import org.biojava.nbio.core.sequence.compound.NucleotideCompound; -import org.biojava.nbio.core.sequence.features.AbstractFeature; -import org.biojava.nbio.core.sequence.features.DBReferenceInfo; -import org.biojava.nbio.core.sequence.features.DatabaseReferenceInterface; -import org.biojava.nbio.core.sequence.features.FeatureRetriever; -import org.biojava.nbio.core.sequence.features.FeaturesKeyWordInterface; +import org.biojava.nbio.core.sequence.features.*; import org.biojava.nbio.core.sequence.io.GenbankSequenceParser; import org.biojava.nbio.core.sequence.io.GenericGenbankHeaderParser; import org.biojava.nbio.core.sequence.template.AbstractSequence; @@ -45,17 +41,11 @@ import org.slf4j.Logger; import org.slf4j.LoggerFactory; -import java.io.BufferedInputStream; -import java.io.BufferedReader; -import java.io.File; -import java.io.FileInputStream; -import java.io.FileOutputStream; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; +import java.io.*; import java.net.URL; import java.net.URLConnection; -import java.util.*; +import java.util.List; +import java.util.Map; /** * @author Karl Nicholas @@ -70,7 +60,7 @@ public class GenbankProxySequenceReader extends StringProxyS private GenbankSequenceParser, C> genbankParser; private GenericGenbankHeaderParser, C> headerParser; private String header; - private Map> features; + private Map, C>>> features; /** @@ -180,7 +170,7 @@ public GenericGenbankHeaderParser, C> getHeaderParser() { return headerParser; } @Override - public Map> getFeatures() { + public Map, C>>> getFeatures() { return features; } diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractSequence.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractSequence.java index 3a7da01d9e..8f32033869 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractSequence.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractSequence.java @@ -126,7 +126,7 @@ public void setProxySequenceReader(SequenceReader proxyLoader) { if (proxyLoader instanceof FeatureRetriever) { this.setFeatureRetriever((FeatureRetriever) sequenceStorage); - Map> ff = getFeatureRetriever().getFeatures(); + Map, C>>> ff = getFeatureRetriever().getFeatures(); for (String k: ff.keySet()){ for (AbstractFeature f: ff.get(k)){ this.addFeature(f); diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java index 33a2b3919e..6883637a49 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java @@ -188,7 +188,7 @@ public void testProteinSequenceFactoring() throws Exception { ProteinSequence seq = new ProteinSequence(genbankReader); // if target protein contain CDS/coded_by than it should contain parent nucleotide seq - List CDSs = genbankReader.getFeatures().get("CDS"); + List, AminoAcidCompound>> CDSs = genbankReader.getFeatures().get("CDS"); if (CDSs != null) { if (CDSs.size() == 1) { From 052791be606a1676bc89d9e6ce83af5bcd7c4f2a Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Mon, 4 May 2020 18:10:07 +0100 Subject: [PATCH 154/821] wasn't aware of this and no other... --- pom.xml | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/pom.xml b/pom.xml index 8514858e84..c448f72feb 100644 --- a/pom.xml +++ b/pom.xml @@ -131,6 +131,10 @@ Michael Heuer + + paolopavan + Paolo Pavan + Peter Rose From d0f526b99237710b42c5879dde127d34fb45de85 Mon Sep 17 00:00:00 2001 From: Paolo Pavan Date: Fri, 8 May 2020 18:28:41 +0100 Subject: [PATCH 155/821] Forgot to forward the parameter. --- .../org/biojava/nbio/core/sequence/location/InsdcLocations.java | 1 + 1 file changed, 1 insertion(+) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java index 5e998c7f99..3e61105950 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/location/InsdcLocations.java @@ -149,6 +149,7 @@ public GroupLocation(Location... subLocations) { public GroupLocation(boolean isCircular, Location... subLocations) { this(Arrays.asList(subLocations)); + setCircular(isCircular); } public GroupLocation(Point start, Point end, Strand strand, From 8db52cb6ccf123a08b1f4b2d8f9859b80e371a9c Mon Sep 17 00:00:00 2001 From: Spencer Bliven Date: Mon, 18 May 2020 10:25:19 +0200 Subject: [PATCH 156/821] Fix compilation bug in ZipChemCompProvider With some JDKs (openjdk-11) there is an (undocumented?) `java.nio.file.FileSystems.newFileSystem(Path,Map)` method. This patch disambiguates which override to use for null. --- .../biojava/nbio/structure/io/mmcif/ZipChemCompProvider.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ZipChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ZipChemCompProvider.java index ef7c984946..9475a6d036 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ZipChemCompProvider.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ZipChemCompProvider.java @@ -236,7 +236,7 @@ private synchronized ChemComp getFromZip(String recordName) { final String filename = "chemcomp/" + recordName+".cif.gz"; // try with resources block to read from the filesystem. - try (FileSystem fs = FileSystems.newFileSystem(m_zipFile, null)) { + try (FileSystem fs = FileSystems.newFileSystem(m_zipFile, (ClassLoader) null)) { Path cif = fs.getPath(filename); if (Files.exists(cif)) { From afd98d40e8dde815679acc4121922813de04d783 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sat, 6 Jun 2020 23:22:21 -0700 Subject: [PATCH 157/821] Now possible to compare interfaces coming from different copies of same structure --- .../structure/contact/StructureInterface.java | 26 ++++++------------- .../contact/StructureInterfaceList.java | 6 ++++- 2 files changed, 13 insertions(+), 19 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java index 3d039ad32b..40953a1ee2 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java @@ -583,7 +583,8 @@ public void setCluster(StructureInterfaceCluster cluster) { /** * Calculates the contact overlap score between this StructureInterface and - * the given one. + * the given one. The calculation assumes that both interfaces come from the same structure. The ouput + * will not necessarily make sense if the two interfaces come from different structures. * The two sides of the given StructureInterface need to match this StructureInterface * in the sense that they must come from the same Entity, i.e. * their residue numbers need to align with 100% identity, except for unobserved @@ -597,17 +598,6 @@ public void setCluster(StructureInterfaceCluster cluster) { */ public double getContactOverlapScore(StructureInterface other, boolean invert) { - Structure thisStruct = getParentStructure(); - Structure otherStruct = other.getParentStructure(); - - if (thisStruct!=otherStruct) { - // in the current implementation, comparison between different structure doesn't make much sense - // and won't even work since the compounds of both will never match. We warn because it - // really is not what this is intended for at the moment - logger.warn("Comparing interfaces from different structures, contact overlap score will be 0"); - return 0; - } - Pair thisChains = getParentChains(); Pair otherChains = other.getParentChains(); @@ -622,10 +612,10 @@ public double getContactOverlapScore(StructureInterface other, boolean invert) { Pair thisCompounds = new Pair(thisChains.getFirst().getEntityInfo(), thisChains.getSecond().getEntityInfo()); Pair otherCompounds = new Pair(otherChains.getFirst().getEntityInfo(), otherChains.getSecond().getEntityInfo()); - if ( ( (thisCompounds.getFirst() == otherCompounds.getFirst()) && - (thisCompounds.getSecond() == otherCompounds.getSecond()) ) || - ( (thisCompounds.getFirst() == otherCompounds.getSecond()) && - (thisCompounds.getSecond() == otherCompounds.getFirst()) ) ) { + if ( ( (thisCompounds.getFirst().getMolId() == otherCompounds.getFirst().getMolId()) && + (thisCompounds.getSecond().getMolId() == otherCompounds.getSecond().getMolId()) ) || + ( (thisCompounds.getFirst().getMolId() == otherCompounds.getSecond().getMolId()) && + (thisCompounds.getSecond().getMolId() == otherCompounds.getFirst().getMolId()) ) ) { int common = 0; GroupContactSet thisContacts = getGroupContacts(); @@ -633,8 +623,8 @@ public double getContactOverlapScore(StructureInterface other, boolean invert) { for (GroupContact thisContact:thisContacts) { - ResidueIdentifier first = null; - ResidueIdentifier second = null; + ResidueIdentifier first; + ResidueIdentifier second; if (!invert) { first = new ResidueIdentifier(thisContact.getPair().getFirst()); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterfaceList.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterfaceList.java index 8bc0b627d0..09c90d6373 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterfaceList.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterfaceList.java @@ -74,7 +74,7 @@ public class StructureInterfaceList implements Serializable, Iterable list; + private final List list; private List clusters = null; private List clustersNcs = null; @@ -93,6 +93,10 @@ public int size() { return this.list.size(); } + public List getList() { + return list; + } + /** * Gets the interface corresponding to given id. * The ids go from 1 to n From a39bd7d8ab9e4cfacc0aa7f63ba45423f83c8872 Mon Sep 17 00:00:00 2001 From: balaji-s Date: Thu, 11 Jun 2020 21:39:09 +0530 Subject: [PATCH 158/821] refactored code to use java 8 streams --- .../org/biojava/nbio/aaproperties/CommandPrompt.java | 4 +--- .../biojava/nbio/aaproperties/PeptideProperties.java | 7 +++++-- .../template/AbstractNucleotideCompoundSet.java | 12 +++++------- 3 files changed, 11 insertions(+), 12 deletions(-) diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java index db9d1d7b69..4ebcec641f 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java @@ -327,9 +327,7 @@ private static void compute(PrintStream output, String header, String sequence, } } output.print(header.replace(delimiter, "_")); - for(int i = 0; i < dList.size(); i++){ - output.print(delimiter + Utils.roundToDecimals(dList.get(i), decimalPlace)); - } + dList.forEach(item -> System.out.print(delimiter + Utils.roundToDecimals(dList.get(item), decimalPlace))); output.println(); output.flush(); } diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java index b0918bf559..9d62a05c71 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java @@ -31,10 +31,12 @@ import javax.xml.bind.JAXBException; import java.io.File; import java.io.FileNotFoundException; +import java.util.Arrays; import java.util.HashMap; import java.util.HashSet; import java.util.Map; import java.util.Set; +import java.util.stream.Collectors; /** * This is an adaptor class which enable the ease of generating protein properties. @@ -64,8 +66,9 @@ public enum SingleLetterAACode { W, C, M, H, Y, F, Q, N, I, R, D, P, T, K, E, V, * To initialize the standardAASet */ static{ - standardAASet = new HashSet(); - for(SingleLetterAACode c:SingleLetterAACode.values()) standardAASet.add(c.toString().charAt(0)); + standardAASet = Arrays.stream(SingleLetterAACode.values()) + .map(singleLetterAACode -> singleLetterAACode.toString().charAt(0)) + . .collect(Collectors.toCollection(HashSet::new)); } /** diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractNucleotideCompoundSet.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractNucleotideCompoundSet.java index cb682ef347..af6a8768e3 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractNucleotideCompoundSet.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/template/AbstractNucleotideCompoundSet.java @@ -23,6 +23,7 @@ import org.biojava.nbio.core.sequence.compound.NucleotideCompound; import java.util.*; +import java.util.stream.Collectors; /** * @@ -66,13 +67,10 @@ protected void addNucleotideCompound(String base, String complement, String... e protected void calculateIndirectAmbiguities() { Map> equivalentsMap = new HashMap>(); - List ambiguousCompounds = new ArrayList(); - for(NucleotideCompound compound: getAllCompounds()) { - if (!compound.isAmbiguous()) { - continue; - } - ambiguousCompounds.add(compound); - } + List ambiguousCompounds = getAllCompounds().stream() + .filter(compound -> compound.isAmbiguous()) + .collect(Collectors.toCollection(ArrayList::new)); + for(NucleotideCompound sourceCompound: ambiguousCompounds) { Set compoundConstituents = sourceCompound.getConstituents(); From 8773045e35bb632c9ee352e4e9276673d8371658 Mon Sep 17 00:00:00 2001 From: balaji-s Date: Thu, 11 Jun 2020 21:57:17 +0530 Subject: [PATCH 159/821] refactored code to use java 8 streams --- .../main/java/org/biojava/nbio/aaproperties/CommandPrompt.java | 2 +- .../java/org/biojava/nbio/aaproperties/PeptideProperties.java | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java index 4ebcec641f..a8d3d64e21 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java @@ -327,7 +327,7 @@ private static void compute(PrintStream output, String header, String sequence, } } output.print(header.replace(delimiter, "_")); - dList.forEach(item -> System.out.print(delimiter + Utils.roundToDecimals(dList.get(item), decimalPlace))); + dList.stream().forEach(item -> System.out.print(delimiter + Utils.roundToDecimals(item, decimalPlace))); output.println(); output.flush(); } diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java index 9d62a05c71..ee6ab16355 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java @@ -68,7 +68,7 @@ public enum SingleLetterAACode { W, C, M, H, Y, F, Q, N, I, R, D, P, T, K, E, V, static{ standardAASet = Arrays.stream(SingleLetterAACode.values()) .map(singleLetterAACode -> singleLetterAACode.toString().charAt(0)) - . .collect(Collectors.toCollection(HashSet::new)); + .collect(Collectors.toCollection(HashSet::new)); } /** From 1dedc35b20a8dd64d3f2aae85441db43698e1682 Mon Sep 17 00:00:00 2001 From: balaji-s Date: Thu, 11 Jun 2020 22:13:57 +0530 Subject: [PATCH 160/821] refactored code to use java 8 streams --- .../main/java/org/biojava/nbio/aaproperties/CommandPrompt.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java index a8d3d64e21..7db641ade9 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/CommandPrompt.java @@ -327,7 +327,7 @@ private static void compute(PrintStream output, String header, String sequence, } } output.print(header.replace(delimiter, "_")); - dList.stream().forEach(item -> System.out.print(delimiter + Utils.roundToDecimals(item, decimalPlace))); + dList.stream().forEach(item -> output.print(delimiter + Utils.roundToDecimals(item, decimalPlace))); output.println(); output.flush(); } From 6f5f18b71e6a5b16e0e8bea4fe18e896650b87ef Mon Sep 17 00:00:00 2001 From: balaji-s Date: Thu, 11 Jun 2020 23:40:52 +0530 Subject: [PATCH 161/821] refactoring code for streams API --- .../org/biojava/nbio/aaproperties/PeptideProperties.java | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java index ee6ab16355..fdbfa2cc4e 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java @@ -37,6 +37,7 @@ import java.util.Map; import java.util.Set; import java.util.stream.Collectors; +import java.util.stream.Stream; /** * This is an adaptor class which enable the ease of generating protein properties. @@ -536,6 +537,10 @@ public static final Map getAACompositionString(String sequence){ for(AminoAcidCompound aaCompound:aa2Composition.keySet()){ aaString2Composition.put(aaCompound.getShortName(), aa2Composition.get(aaCompound)); } + aaString2Composition = aa2Composition.keySet() + .stream() + .collect(Collectors.toMap(aaCompound -> aaCompound.getShortName(), + aaCompound ->aa2Composition.get(aaCompound))); return aaString2Composition; } From 02fb4f07e256867e6785d522d48ce6b28c38e270 Mon Sep 17 00:00:00 2001 From: balaji-s Date: Fri, 12 Jun 2020 00:15:55 +0530 Subject: [PATCH 162/821] refactoring code java 8 streams api --- .../org/biojava/nbio/aaproperties/PeptideProperties.java | 3 --- .../src/main/java/org/biojava/nbio/ronn/Jronn.java | 7 ++++--- 2 files changed, 4 insertions(+), 6 deletions(-) diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java index fdbfa2cc4e..dc92e76d6a 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java @@ -534,9 +534,6 @@ public static final Map getAAComposition(String seque public static final Map getAACompositionString(String sequence){ Map aa2Composition = getAAComposition(sequence); Map aaString2Composition = new HashMap(); - for(AminoAcidCompound aaCompound:aa2Composition.keySet()){ - aaString2Composition.put(aaCompound.getShortName(), aa2Composition.get(aaCompound)); - } aaString2Composition = aa2Composition.keySet() .stream() .collect(Collectors.toMap(aaCompound -> aaCompound.getShortName(), diff --git a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java index 60b259aff2..8f8d7b0817 100644 --- a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java +++ b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java @@ -32,6 +32,7 @@ import java.util.List; import java.util.Map; import java.util.TreeMap; +import java.util.stream.Collectors; /** @@ -247,9 +248,7 @@ public static Range[] scoresToRanges(float[] scores, float probability) { */ public static Map getDisorderScores(List sequences) { Map results = new TreeMap(); - for(FastaSequence fsequence : sequences) { - results.put(fsequence, predictSerial(fsequence)); - } + results = sequences.stream().collect(Collectors.toMap(sequence -> sequence, sequence -> predictSerial(sequence))); return results; } @@ -262,6 +261,8 @@ public static Map getDisorderScores(List s */ public static Map getDisorder(List sequences) { Map disorderRanges = new TreeMap(); + disorderRanges = sequences.stream() + .collect(Collectors.toMap(sequence -> sequence, sequence -> getDisorder(sequence) )); for(FastaSequence fs: sequences) { disorderRanges.put(fs, getDisorder(fs)); } From 1461eeb38dc39d36753b020053faa079ae41c221 Mon Sep 17 00:00:00 2001 From: balaji-s Date: Fri, 12 Jun 2020 00:23:09 +0530 Subject: [PATCH 163/821] refactoring code java 8 streams api --- .../org/biojava/nbio/aaproperties/PeptideProperties.java | 5 ++--- .../src/main/java/org/biojava/nbio/ronn/Jronn.java | 6 +----- 2 files changed, 3 insertions(+), 8 deletions(-) diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java index dc92e76d6a..6b4fef7ed6 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java @@ -534,9 +534,8 @@ public static final Map getAAComposition(String seque public static final Map getAACompositionString(String sequence){ Map aa2Composition = getAAComposition(sequence); Map aaString2Composition = new HashMap(); - aaString2Composition = aa2Composition.keySet() - .stream() - .collect(Collectors.toMap(aaCompound -> aaCompound.getShortName(), + aaString2Composition = aa2Composition.keySet().stream() + .collect(Collectors.toMap(aaCompound -> aaCompound.getShortName(), aaCompound ->aa2Composition.get(aaCompound))); return aaString2Composition; } diff --git a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java index 8f8d7b0817..fd09653979 100644 --- a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java +++ b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java @@ -261,11 +261,7 @@ public static Map getDisorderScores(List s */ public static Map getDisorder(List sequences) { Map disorderRanges = new TreeMap(); - disorderRanges = sequences.stream() - .collect(Collectors.toMap(sequence -> sequence, sequence -> getDisorder(sequence) )); - for(FastaSequence fs: sequences) { - disorderRanges.put(fs, getDisorder(fs)); - } + disorderRanges = sequences.stream().collect(Collectors.toMap(sequence -> sequence, sequence -> getDisorder(sequence) )); return disorderRanges; } From 8a9ddbe9b4cf0aab2334fa231644abd41b5f4672 Mon Sep 17 00:00:00 2001 From: balaji-s Date: Fri, 12 Jun 2020 00:24:54 +0530 Subject: [PATCH 164/821] refactoring code java 8 streams api --- .../java/org/biojava/nbio/aaproperties/PeptideProperties.java | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java index 6b4fef7ed6..a46b857314 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/PeptideProperties.java @@ -534,9 +534,7 @@ public static final Map getAAComposition(String seque public static final Map getAACompositionString(String sequence){ Map aa2Composition = getAAComposition(sequence); Map aaString2Composition = new HashMap(); - aaString2Composition = aa2Composition.keySet().stream() - .collect(Collectors.toMap(aaCompound -> aaCompound.getShortName(), - aaCompound ->aa2Composition.get(aaCompound))); + aaString2Composition = aa2Composition.keySet().stream() .collect(Collectors.toMap(aaCompound -> aaCompound.getShortName(),aaCompound ->aa2Composition.get(aaCompound))); return aaString2Composition; } From 44d82b382e02184f5d1f1f4458e5be94112d7f0d Mon Sep 17 00:00:00 2001 From: balaji-s Date: Fri, 12 Jun 2020 00:29:19 +0530 Subject: [PATCH 165/821] refactoring code java 8 streams api --- .../src/main/java/org/biojava/nbio/ronn/Jronn.java | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java index fd09653979..8806395564 100644 --- a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java +++ b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java @@ -248,7 +248,7 @@ public static Range[] scoresToRanges(float[] scores, float probability) { */ public static Map getDisorderScores(List sequences) { Map results = new TreeMap(); - results = sequences.stream().collect(Collectors.toMap(sequence -> sequence, sequence -> predictSerial(sequence))); + results = sequences.stream().collect(Collectors.toMap(fastaSequence -> fastaSequence, fastaSequence -> predictSerial(fastaSequence))); return results; } @@ -261,7 +261,7 @@ public static Map getDisorderScores(List s */ public static Map getDisorder(List sequences) { Map disorderRanges = new TreeMap(); - disorderRanges = sequences.stream().collect(Collectors.toMap(sequence -> sequence, sequence -> getDisorder(sequence) )); + disorderRanges = sequences.stream().collect(Collectors.toMap(fastaSequence -> fastaSequence, fastaSequence -> getDisorder(fastaSequence) )); return disorderRanges; } From e1fdf30b5cc9dcea1002de2b14b9f7d17e6a89df Mon Sep 17 00:00:00 2001 From: balaji-s Date: Sat, 13 Jun 2020 21:00:03 +0530 Subject: [PATCH 166/821] refactor code to java 8 streams --- .../org/biojava/nbio/aaproperties/Utils.java | 22 ++++++++----------- .../profeat/ProfeatPropertiesImpl.java | 4 +--- .../profeat/convertor/Convertor.java | 8 +++---- .../java/org/biojava/nbio/ronn/Jronn.java | 6 ++--- 4 files changed, 15 insertions(+), 25 deletions(-) diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java index e69b083be7..43c5ef06c1 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java @@ -23,6 +23,7 @@ import org.slf4j.Logger; import org.slf4j.LoggerFactory; +import java.nio.CharBuffer; import java.util.HashSet; import java.util.Set; @@ -68,10 +69,10 @@ public final static double roundToDecimals(double d, int c) { * true if invalid characters are found, else return false. */ public final static boolean doesSequenceContainInvalidChar(String sequence, Set cSet){ - for(char c:sequence.toCharArray()){ - if(!cSet.contains(c)) return true; - } - return false; + boolean result = sequence.chars().filter(c -> !cSet.contains((char) c)) + .findFirst() + .isPresent(); + return result; } /** @@ -86,15 +87,10 @@ public final static boolean doesSequenceContainInvalidChar(String sequence, Set< * @return * the number of invalid characters in sequence. */ - public final static int getNumberOfInvalidChar(String sequence, Set cSet, boolean ignoreCase){ - int total = 0; - char[] cArray; - if(ignoreCase) cArray = sequence.toUpperCase().toCharArray(); - else cArray = sequence.toCharArray(); - if(cSet == null) cSet = PeptideProperties.standardAASet; - for(char c:cArray){ - if(!cSet.contains(c)) total++; - } + public final static int getNumberOfInvalidChar(String sequence, Set cSet, boolean ignoreCase){ + char[] cArray = ignoreCase ? sequence.toUpperCase().toCharArray(): sequence.toCharArray(); + final Set characterSet = cSet == null ? cSet : PeptideProperties.standardAASet; + int total = (int)CharBuffer.wrap(cArray).chars().filter(character -> !characterSet.contains((char)character)).count(); return total; } diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/profeat/ProfeatPropertiesImpl.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/profeat/ProfeatPropertiesImpl.java index 5408c127c5..75b0ff3064 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/profeat/ProfeatPropertiesImpl.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/profeat/ProfeatPropertiesImpl.java @@ -44,9 +44,7 @@ private int getTotalCount(String convertedSeq, GROUPING group) throws Exception{ default: throw new Exception("Unhandled Case: " + group); } int total = 0; - for(char c:convertedSeq.toCharArray()){ - if(c == g) total++; - } + total = (int)convertedSeq.chars().filter(c ->(char) c == g) .count(); return total; } diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/profeat/convertor/Convertor.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/profeat/convertor/Convertor.java index 0420bad8e3..a88d93add3 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/profeat/convertor/Convertor.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/profeat/convertor/Convertor.java @@ -20,6 +20,8 @@ */ package org.biojava.nbio.aaproperties.profeat.convertor; +import java.util.stream.Collectors; + import org.biojava.nbio.core.sequence.ProteinSequence; public abstract class Convertor { @@ -78,12 +80,8 @@ public abstract class Convertor { * @return the converted sequence */ public String convert(ProteinSequence sequence){ - String convertedSequence = ""; String uppercaseSequence = sequence.getSequenceAsString().toUpperCase(); - for(int x = 0; x < uppercaseSequence.length(); x++){ - convertedSequence += String.valueOf(convert(uppercaseSequence.charAt(x))); - } + String convertedSequence = uppercaseSequence.chars().mapToObj(upperCaseSeq -> String.valueOf(convert((char)(upperCaseSeq)))).collect(Collectors.joining()); return convertedSequence; } - } diff --git a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java index 8806395564..a91d7e9876 100644 --- a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java +++ b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/Jronn.java @@ -180,11 +180,9 @@ private static float[] predictSerial(FastaSequence fsequence) { try { ronn = new ORonn(fsequence, loader); disorder = ronn.call().getMeanScores(); - } catch (NumberFormatException e) { - throw new RuntimeException("Jronn fails to load models " + e.getLocalizedMessage(), e); - } catch (IOException e) { + } catch (NumberFormatException | IOException e) { throw new RuntimeException("Jronn fails to load models " + e.getLocalizedMessage(), e); - } + } return disorder; } From 8998cbcd3cdb4e63fedc0e922b567f9447aef68d Mon Sep 17 00:00:00 2001 From: balaji-s Date: Sat, 13 Jun 2020 22:17:24 +0530 Subject: [PATCH 167/821] refactor code to java 8 streams api --- .../org/biojava/nbio/phosphosite/Dataset.java | 26 +++++-------------- 1 file changed, 7 insertions(+), 19 deletions(-) diff --git a/biojava-modfinder/src/main/java/org/biojava/nbio/phosphosite/Dataset.java b/biojava-modfinder/src/main/java/org/biojava/nbio/phosphosite/Dataset.java index 71604d9bb3..38a91b511d 100644 --- a/biojava-modfinder/src/main/java/org/biojava/nbio/phosphosite/Dataset.java +++ b/biojava-modfinder/src/main/java/org/biojava/nbio/phosphosite/Dataset.java @@ -29,7 +29,10 @@ import java.nio.file.Files; import java.nio.file.StandardCopyOption; import java.util.ArrayList; +import java.util.Arrays; import java.util.List; +import java.util.stream.Collectors; +import java.util.stream.Stream; /** * Phosphosite is available under the PhosphoSitePlus® is licensed under Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Unported License and is freely available for non-commercial purposes from @@ -76,27 +79,12 @@ private String[] getRemoteFiles(){ } public File[] getLocalFiles(){ - String[] rfiles = getRemoteFiles(); - - File dir = getLocalDir(); - - List files = new ArrayList(); - for ( String f : rfiles) { - - - int slashIndex = f.lastIndexOf("/"); - - String fileName = f.substring(slashIndex); - - File localFile = new File(dir+"/" + fileName); - - if ( localFile.exists()){ - files.add(localFile); - } - - } + List files = Arrays.stream(rfiles).map(remoteFileName -> remoteFileName.substring(remoteFileName.lastIndexOf("/"))) + .map(localFile -> new File(dir+"/"+localFile)) + .filter(file -> file.exists()) + .collect(Collectors.toList()); return files.toArray(new File[files.size()]); } From 9a59362a2192817f79be71f2bd937bfc541d8aac Mon Sep 17 00:00:00 2001 From: balaji-s Date: Sat, 13 Jun 2020 22:35:06 +0530 Subject: [PATCH 168/821] refactor code to java 8 streams --- .../src/main/java/org/biojava/nbio/aaproperties/Utils.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java index 43c5ef06c1..c19918df4d 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java @@ -89,7 +89,7 @@ public final static boolean doesSequenceContainInvalidChar(String sequence, Set< */ public final static int getNumberOfInvalidChar(String sequence, Set cSet, boolean ignoreCase){ char[] cArray = ignoreCase ? sequence.toUpperCase().toCharArray(): sequence.toCharArray(); - final Set characterSet = cSet == null ? cSet : PeptideProperties.standardAASet; + final Set characterSet = cSet == null ?PeptideProperties.standardAASet: cSet ; int total = (int)CharBuffer.wrap(cArray).chars().filter(character -> !characterSet.contains((char)character)).count(); return total; } From d14b19cd7c66b9fe672fde2a56fbd1127b8338f6 Mon Sep 17 00:00:00 2001 From: balaji-s Date: Sat, 13 Jun 2020 23:24:43 +0530 Subject: [PATCH 169/821] refactor code to java 8 streams --- .../src/main/java/org/biojava/nbio/ronn/ORonn.java | 12 +++++------- 1 file changed, 5 insertions(+), 7 deletions(-) diff --git a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/ORonn.java b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/ORonn.java index 16dbcb72a1..f4ea7d0d42 100644 --- a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/ORonn.java +++ b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/ORonn.java @@ -39,6 +39,8 @@ import java.util.List; import java.util.Locale; import java.util.concurrent.*; +import java.util.stream.IntStream; +import java.util.stream.Stream; /** @@ -139,13 +141,9 @@ static boolean isValidSequence(final FastaSequence fsequence) { public ORonn call() throws NumberFormatException, IOException { final String seq = sequence.getSequence(); // Calculate for each model - for (int m = 0; m < ORonn.NUMBER_OF_MODELS; m++) { - final Model model = mloader.getModel(m); - final ORonnModel rmodel = new ORonnModel(seq, model, disorder); - final float[] scores = rmodel.detect(); - addScore(scores); - } - + Stream.iterate(0, n -> n +1).limit(10).map(modelNumber -> mloader.getModel(modelNumber)) + .map(rmodel -> new ORonnModel(seq, rmodel, disorder).detect()) + .forEach(score ->addScore(score)); final char[] ch = seq.toCharArray(); final float[] meanScores = getMeanScores(); assert meanScores.length == seq.length() : "Scores are not calculated for " From 91f4ad2dc34134637b09896d04556ce2dc9e8664 Mon Sep 17 00:00:00 2001 From: balaji-s Date: Sun, 14 Jun 2020 00:09:04 +0530 Subject: [PATCH 170/821] refactor code to java 8 streams --- .../align/ce/AbstractUserArgumentProcessor.java | 10 ++++------ 1 file changed, 4 insertions(+), 6 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java index 2ffdbae748..e7e36cb128 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java @@ -44,6 +44,7 @@ import java.util.ArrayList; import java.util.Iterator; import java.util.List; +import java.util.stream.Stream; /** @@ -796,12 +797,9 @@ public String printHelp() { Iterator helpIt = paramHelp.iterator(); buf.append("--- ").append(alg.getAlgorithmName()).append(" parameters: ---").append(newline); - for(int i = 0; i< size; i++) { - String name = namesIt.next(); - buf.append(" -").append(Introspector.decapitalize(name)); - buf.append(" ").append(helpIt.next()); - buf.append(newline); - } + Stream.iterate(0, n -> n + 1).limit(size) + .map(i -> namesIt.next()) + .forEach(name -> buf.append(" -").append(Introspector.decapitalize(name)).append(" ").append(helpIt.next()).append(newline)); } buf.append(newline); From c8197c8af0f0ad25be5779530a5582129de4eb5c Mon Sep 17 00:00:00 2001 From: balaji-s Date: Sat, 20 Jun 2020 21:12:56 +0530 Subject: [PATCH 171/821] reverting code and added Number of models --- .../main/java/org/biojava/nbio/aaproperties/Utils.java | 8 ++++---- .../src/main/java/org/biojava/nbio/ronn/ORonn.java | 2 +- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java index c19918df4d..b66e879d7a 100644 --- a/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java +++ b/biojava-aa-prop/src/main/java/org/biojava/nbio/aaproperties/Utils.java @@ -69,10 +69,10 @@ public final static double roundToDecimals(double d, int c) { * true if invalid characters are found, else return false. */ public final static boolean doesSequenceContainInvalidChar(String sequence, Set cSet){ - boolean result = sequence.chars().filter(c -> !cSet.contains((char) c)) - .findFirst() - .isPresent(); - return result; + for(char c:sequence.toCharArray()){ + if(!cSet.contains(c)) return true; + } + return false; } /** diff --git a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/ORonn.java b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/ORonn.java index f4ea7d0d42..f5c745aa20 100644 --- a/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/ORonn.java +++ b/biojava-protein-disorder/src/main/java/org/biojava/nbio/ronn/ORonn.java @@ -141,7 +141,7 @@ static boolean isValidSequence(final FastaSequence fsequence) { public ORonn call() throws NumberFormatException, IOException { final String seq = sequence.getSequence(); // Calculate for each model - Stream.iterate(0, n -> n +1).limit(10).map(modelNumber -> mloader.getModel(modelNumber)) + Stream.iterate(0, n -> n +1).limit(NUMBER_OF_MODELS).map(modelNumber -> mloader.getModel(modelNumber)) .map(rmodel -> new ORonnModel(seq, rmodel, disorder).detect()) .forEach(score ->addScore(score)); final char[] ch = seq.toCharArray(); From 4d1b30566978f55ff5073ecb4f9c51dbcbe6fe76 Mon Sep 17 00:00:00 2001 From: Yana Rose Date: Sat, 27 Jun 2020 15:49:39 -0700 Subject: [PATCH 172/821] case insensitive comparison of chem comp type --- .../org/biojava/nbio/structure/io/mmcif/chem/ResidueType.java | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/ResidueType.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/ResidueType.java index e1d7e55b25..d6f6b0a40a 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/ResidueType.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/ResidueType.java @@ -140,9 +140,9 @@ public static ResidueType getResidueTypeFromString(String chem_comp_type) { return rt; } - if ( rt.chem_comp_type.startsWith(chem_comp_type)) + if ( rt.chem_comp_type.toLowerCase().startsWith(chem_comp_type.toLowerCase())) return rt; - if ( chem_comp_type.startsWith(rt.chem_comp_type)) + if ( chem_comp_type.toLowerCase().startsWith(rt.chem_comp_type.toLowerCase())) return rt; } return null; From 222a8ae3f7b1d0441763c5165f8624b1d592f0a6 Mon Sep 17 00:00:00 2001 From: Yana Rose Date: Sat, 27 Jun 2020 15:50:04 -0700 Subject: [PATCH 173/821] throw exception if residue type cannot be resolved --- .../biojava/nbio/structure/io/mmtf/MmtfStructureReader.java | 3 +++ 1 file changed, 3 insertions(+) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java index 7c7c24e9ec..09d8ca58a8 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java @@ -214,6 +214,9 @@ public void setGroupInfo(String groupName, int groupNumber, char singleLetterCode, int sequenceIndexId, int secStructType) { // Get the polymer type ResidueType residueType = ResidueType.getResidueTypeFromString(chemCompType); + if (residueType == null) + throw new IllegalStateException("Couldn't resolve residue type for "+ chemCompType); + int polymerType = getGroupTypIndicator(residueType.polymerType); switch (polymerType) { case 1: From 0cea7d21241591aef9eacb3fefd1509fa10c7985 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Sat, 27 Jun 2020 21:55:14 -0700 Subject: [PATCH 174/821] Upgrading to newest java-8 compatible ciftools --- biojava-structure/pom.xml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index 688984e845..e8fb694c07 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -21,7 +21,7 @@ org.rcsb ciftools-java - 0.5.4 + 0.7.1 org.rcsb From 9dcddeb0072ecc29aca8d8b1d43c3b18a430ac30 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Sun, 28 Jun 2020 22:19:28 -0700 Subject: [PATCH 175/821] [maven-release-plugin] prepare release biojava-5.4.0 --- biojava-aa-prop/pom.xml | 6 +++--- biojava-alignment/pom.xml | 4 ++-- biojava-core/pom.xml | 2 +- biojava-genome/pom.xml | 6 +++--- biojava-integrationtest/pom.xml | 4 ++-- biojava-modfinder/pom.xml | 4 ++-- biojava-ontology/pom.xml | 2 +- biojava-protein-disorder/pom.xml | 4 ++-- biojava-structure-gui/pom.xml | 6 +++--- biojava-structure/pom.xml | 6 +++--- biojava-survival/pom.xml | 2 +- biojava-ws/pom.xml | 4 ++-- pom.xml | 4 ++-- 13 files changed, 27 insertions(+), 27 deletions(-) diff --git a/biojava-aa-prop/pom.xml b/biojava-aa-prop/pom.xml index c8da170664..8e1e35b52a 100644 --- a/biojava-aa-prop/pom.xml +++ b/biojava-aa-prop/pom.xml @@ -2,7 +2,7 @@ biojava org.biojava - 5.3.1-SNAPSHOT + 5.4.0 4.0.0 biojava-aa-prop @@ -70,12 +70,12 @@ org.biojava biojava-core - 5.3.1-SNAPSHOT + 5.4.0 org.biojava biojava-structure - 5.3.1-SNAPSHOT + 5.4.0 diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index 092dbc3d0b..f342cebeef 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.3.1-SNAPSHOT + 5.4.0 biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 5.3.1-SNAPSHOT + 5.4.0 compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index b465a40a36..4b417fa752 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.3.1-SNAPSHOT + 5.4.0 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index bd67b30190..d0bcc1563d 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.3.1-SNAPSHOT + 5.4.0 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 5.3.1-SNAPSHOT + 5.4.0 compile org.biojava biojava-alignment - 5.3.1-SNAPSHOT + 5.4.0 compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index 7367654c01..f2bb2663ab 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.3.1-SNAPSHOT + 5.4.0 biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 5.3.1-SNAPSHOT + 5.4.0 diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index 5367030867..b680992bd7 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.3.1-SNAPSHOT + 5.4.0 biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 5.3.1-SNAPSHOT + 5.4.0 jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index b6a4fa0967..3c32d3fa8e 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 5.3.1-SNAPSHOT + 5.4.0 biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index 982a4d170b..1a4d8f45a8 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.3.1-SNAPSHOT + 5.4.0 biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 5.3.1-SNAPSHOT + 5.4.0 diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index e6605344bc..d8c100dbb7 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.3.1-SNAPSHOT + 5.4.0 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 5.3.1-SNAPSHOT + 5.4.0 compile org.biojava biojava-core - 5.3.1-SNAPSHOT + 5.4.0 compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index e8fb694c07..f0746e6c25 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.3.1-SNAPSHOT + 5.4.0 biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 5.3.1-SNAPSHOT + 5.4.0 compile org.biojava biojava-core - 5.3.1-SNAPSHOT + 5.4.0 compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index 479b57276b..aec8a52ac1 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 5.3.1-SNAPSHOT + 5.4.0 biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index 8df54334cf..02072c46b2 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.3.1-SNAPSHOT + 5.4.0 biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 5.3.1-SNAPSHOT + 5.4.0 compile diff --git a/pom.xml b/pom.xml index 8514858e84..c68291d525 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 5.3.1-SNAPSHOT + 5.4.0 biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -49,7 +49,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - HEAD + biojava-5.4.0 diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index f342cebeef..e1080222d3 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.4.0 + 5.4.1-SNAPSHOT biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 5.4.0 + 5.4.1-SNAPSHOT compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 4b417fa752..71d3fd5794 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.4.0 + 5.4.1-SNAPSHOT 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index d0bcc1563d..03ff9b2c56 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.4.0 + 5.4.1-SNAPSHOT 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 5.4.0 + 5.4.1-SNAPSHOT compile org.biojava biojava-alignment - 5.4.0 + 5.4.1-SNAPSHOT compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index f2bb2663ab..60d537046d 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.4.0 + 5.4.1-SNAPSHOT biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 5.4.0 + 5.4.1-SNAPSHOT diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index b680992bd7..458ee4a2fe 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.4.0 + 5.4.1-SNAPSHOT biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 5.4.0 + 5.4.1-SNAPSHOT jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index 3c32d3fa8e..a50275e091 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 5.4.0 + 5.4.1-SNAPSHOT biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index 1a4d8f45a8..42ac69b916 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.4.0 + 5.4.1-SNAPSHOT biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 5.4.0 + 5.4.1-SNAPSHOT diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index d8c100dbb7..0b375b2a89 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.4.0 + 5.4.1-SNAPSHOT 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 5.4.0 + 5.4.1-SNAPSHOT compile org.biojava biojava-core - 5.4.0 + 5.4.1-SNAPSHOT compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index f0746e6c25..fc4584ce37 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.4.0 + 5.4.1-SNAPSHOT biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 5.4.0 + 5.4.1-SNAPSHOT compile org.biojava biojava-core - 5.4.0 + 5.4.1-SNAPSHOT compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index aec8a52ac1..62d4eb3667 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 5.4.0 + 5.4.1-SNAPSHOT biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index 02072c46b2..ff394e7444 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.4.0 + 5.4.1-SNAPSHOT biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 5.4.0 + 5.4.1-SNAPSHOT compile diff --git a/pom.xml b/pom.xml index c68291d525..85b3c182af 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 5.4.0 + 5.4.1-SNAPSHOT biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -49,7 +49,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - biojava-5.4.0 + HEAD

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zZc8xy_=~SCf$mr$$D^p7D{=G=krKv;ZA*;C5TU^wc=I1=1dGP4J(RYDF}M+rXju}O zhv-_aZuJi^0**=e2N?RB0f#7nO$kHwV0W6gCP*Kk0Jf+ZfE_nr83ydR{lPmxL1ws9 zyX+dlEebMYfUYTj7_=zRgLzQ5D9{~CWNAq4TshjJz&ScG8bgDxMX??{yM%M{44UKd zov}&6fHk517`30eJ+2!ih4nT!^FKg2V|Eqaw2V2F1N6@YJM;wL^_OO?J~b zz{54zH3+=fHPpv7)ZNDqcvYKYaDZd5pND5K@NPCBFCfT2#3RVpH3T@N0KBjbt&vLM z#12^lsW?&%yyF3!*kKlg#E>Gi@d`R2=P%3upTIE#M)vPqzd@%gG5q`aj~Qi%j0(2^ z;i)*uN`E-~iqsV!T-(i97R3eKDimBx3C*Cym^u9>bL(#wI|2zM0348IQX-4v2O_{Yt zHYrWqv+jQ#569EfZi`o~F@ANa-OBFV41+r|KO0PSKC`UjD|`4s&|YM(1SBWITQ9)H zMxc8ipr?XDPn?7v4hn0#0NY(4HH6NiMCs6iXQx6c3sMQiJl2!VapXs6^^basAvq`V zW9vI2) FOR THE DATA SET : 2.0000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 58.71 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.50 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.50 +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -X,Y,-Z+1/2 +REMARK 290 4555 X,-Y,-Z +REMARK 290 5555 X+1/2,Y+1/2,Z +REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 +REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 +REMARK 290 8555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 38.03000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 38.03000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 68.49500 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 76.40000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 68.49500 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 76.40000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 38.03000 +REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 68.49500 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 76.40000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 38.03000 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 68.49500 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 76.40000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, E, F, A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 VAL A 1 +REMARK 465 LEU A 2 +REMARK 465 GLY A 3 +REMARK 465 LYS A 4 +REMARK 465 PRO A 5 +REMARK 465 GLN A 6 +REMARK 465 THR A 7 +REMARK 465 ASP A 8 +REMARK 465 THR A 208 +REMARK 465 ARG A 209 +REMARK 465 VAL B 1 +REMARK 465 LEU B 2 +REMARK 465 GLY B 3 +REMARK 465 LYS B 4 +REMARK 465 PRO B 5 +REMARK 465 GLN B 6 +REMARK 465 THR B 7 +REMARK 465 ASP B 8 +REMARK 465 TYR B 206 +REMARK 465 GLY B 207 +REMARK 465 THR B 208 +REMARK 465 ARG B 209 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 N LYS A 166 O HOH A 720 1.97 +REMARK 500 CA GLY B 200 O HOH B 532 2.00 +REMARK 500 C ILE A 165 O HOH A 720 2.07 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 DG C 3 C6 DG C 3 O6 0.056 +REMARK 500 DT F 1 C4 DT F 1 C5 0.056 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 DG C 3 O3' - P - OP2 ANGL. DEV. = 7.2 DEGREES +REMARK 500 DT C 4 O5' - P - OP2 ANGL. DEV. = -5.5 DEGREES +REMARK 500 DT C 4 O3' - P - OP2 ANGL. DEV. = 8.2 DEGREES +REMARK 500 DG C 5 O3' - P - OP2 ANGL. DEV. = 9.8 DEGREES +REMARK 500 DG D 14 O3' - P - OP2 ANGL. DEV. = 6.9 DEGREES +REMARK 500 DT D 15 O3' - P - OP2 ANGL. DEV. = 8.9 DEGREES +REMARK 500 DT D 22 C5' - C4' - C3' ANGL. DEV. = 10.3 DEGREES +REMARK 500 DT D 23 O5' - P - OP1 ANGL. DEV. = -7.5 DEGREES +REMARK 500 DG E 25 N1 - C6 - O6 ANGL. DEV. = -6.7 DEGREES +REMARK 500 DG E 25 C5 - C6 - O6 ANGL. DEV. = 4.1 DEGREES +REMARK 500 DC E 14 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES +REMARK 500 DT F 10 N1 - C1' - C2' ANGL. DEV. = 9.8 DEGREES +REMARK 500 DT F 8 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES +REMARK 500 DC F 7 O4' - C1' - N1 ANGL. DEV. = 3.9 DEGREES +REMARK 500 DC F 7 O3' - P - OP2 ANGL. DEV. = 7.2 DEGREES +REMARK 500 DT F -1 O3' - P - OP2 ANGL. DEV. = 7.0 DEGREES +REMARK 500 DG F -4 C3' - C2' - C1' ANGL. DEV. = -5.9 DEGREES +REMARK 500 CYS A 178 CA - CB - SG ANGL. DEV. = 9.6 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 PHE A 14 -70.93 -58.75 +REMARK 500 SER A 25 158.81 -47.20 +REMARK 500 LYS A 26 0.62 54.93 +REMARK 500 GLU A 37 -11.27 -160.15 +REMARK 500 GLU A 54 -14.80 -49.09 +REMARK 500 LEU A 75 -17.85 -42.52 +REMARK 500 GLN A 107 1.71 -58.82 +REMARK 500 VAL A 108 -73.94 -110.31 +REMARK 500 ASP A 155 55.56 -99.58 +REMARK 500 ASN A 194 27.71 80.54 +REMARK 500 HIS A 199 35.92 164.21 +REMARK 500 VAL A 205 87.55 85.34 +REMARK 500 TYR A 206 176.37 39.50 +REMARK 500 HIS B 17 3.74 -67.14 +REMARK 500 LYS B 26 2.92 86.12 +REMARK 500 GLU B 55 34.90 -89.03 +REMARK 500 GLU B 77 -34.14 -147.36 +REMARK 500 GLU B 78 147.09 61.31 +REMARK 500 LEU B 148 -71.44 -79.97 +REMARK 500 ALA B 151 60.84 -66.67 +REMARK 500 LYS B 152 -54.58 -171.43 +REMARK 500 PRO B 154 95.25 -55.79 +REMARK 500 ASP B 155 -32.13 -173.31 +REMARK 500 THR B 158 92.27 -37.77 +REMARK 500 MET B 163 166.15 -48.19 +REMARK 500 CYS B 178 -159.04 -153.64 +REMARK 500 ARG B 180 -45.87 -24.50 +REMARK 500 ARG B 185 -33.20 -39.17 +REMARK 500 MET B 189 4.38 -55.14 +REMARK 500 ASP B 192 -73.80 -51.78 +REMARK 500 GLN B 193 -27.88 -40.00 +REMARK 500 ASN B 194 23.95 89.91 +REMARK 500 HIS B 199 87.28 176.66 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 525 +REMARK 525 SOLVENT +REMARK 525 +REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT +REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST +REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT +REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE +REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; +REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE +REMARK 525 NUMBER; I=INSERTION CODE): +REMARK 525 +REMARK 525 M RES CSSEQI +REMARK 525 HOH D 475 DISTANCE = 6.11 ANGSTROMS +REMARK 525 HOH B 638 DISTANCE = 6.20 ANGSTROMS +REMARK 525 HOH D 482 DISTANCE = 5.60 ANGSTROMS +REMARK 525 HOH D 524 DISTANCE = 5.44 ANGSTROMS +REMARK 525 HOH E 580 DISTANCE = 6.66 ANGSTROMS +REMARK 525 HOH F 559 DISTANCE = 5.09 ANGSTROMS +REMARK 525 HOH C 636 DISTANCE = 5.26 ANGSTROMS +REMARK 525 HOH D 642 DISTANCE = 5.23 ANGSTROMS +REMARK 525 HOH D 755 DISTANCE = 6.07 ANGSTROMS +REMARK 610 +REMARK 610 MISSING HETEROATOM +REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 610 I=INSERTION CODE): +REMARK 610 M RES C SSEQI +REMARK 610 CMP B 761 +REMARK 610 CMP A 762 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CMP B 761 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CMP A 762 +DBREF 1J59 A 1 209 UNP P0ACJ8 CRP_ECOLI 2 210 +DBREF 1J59 B 1 209 UNP P0ACJ8 CRP_ECOLI 2 210 +DBREF 1J59 C -5 9 PDB 1J59 1J59 -5 9 +DBREF 1J59 D 10 26 PDB 1J59 1J59 10 26 +DBREF 1J59 E 27 14 PDB 1J59 1J59 27 14 +DBREF 1J59 F 13 -4 PDB 1J59 1J59 13 -4 +SEQRES 1 C 14 DG DC DG DA DA DA DA DG DT DG DT DG DA +SEQRES 2 C 14 DC +SEQRES 1 D 17 DA DT DA DT DG DT DC DA DC DA DC DT DT +SEQRES 2 D 17 DT DT DC DG +SEQRES 1 E 14 DG DC DG DA DA DA DA DG DT DG DT DG DA +SEQRES 2 E 14 DC +SEQRES 1 F 17 DA DT DA DT DG DT DC DA DC DA DC DT DT +SEQRES 2 F 17 DT DT DC DG +SEQRES 1 A 209 VAL LEU GLY LYS PRO GLN THR ASP PRO THR LEU GLU TRP +SEQRES 2 A 209 PHE LEU SER HIS CYS HIS ILE HIS LYS TYR PRO SER LYS +SEQRES 3 A 209 SER THR LEU ILE HIS GLN GLY GLU LYS ALA GLU THR LEU +SEQRES 4 A 209 TYR TYR ILE VAL LYS GLY SER VAL ALA VAL LEU ILE LYS +SEQRES 5 A 209 ASP GLU GLU GLY LYS GLU MET ILE LEU SER TYR LEU ASN +SEQRES 6 A 209 GLN GLY ASP PHE ILE GLY GLU LEU GLY LEU PHE GLU GLU +SEQRES 7 A 209 GLY GLN GLU ARG SER ALA TRP VAL ARG ALA LYS THR ALA +SEQRES 8 A 209 CYS GLU VAL ALA GLU ILE SER TYR LYS LYS PHE ARG GLN +SEQRES 9 A 209 LEU ILE GLN VAL ASN PRO ASP ILE LEU MET ARG LEU SER +SEQRES 10 A 209 ALA GLN MET ALA ARG ARG LEU GLN VAL THR SER GLU LYS +SEQRES 11 A 209 VAL GLY ASN LEU ALA PHE LEU ASP VAL THR GLY ARG ILE +SEQRES 12 A 209 ALA GLN THR LEU LEU ASN LEU ALA LYS GLN PRO ASP ALA +SEQRES 13 A 209 MET THR HIS PRO ASP GLY MET GLN ILE LYS ILE THR ARG +SEQRES 14 A 209 GLN GLU ILE GLY GLN ILE VAL GLY CYS SER ARG GLU THR +SEQRES 15 A 209 VAL GLY ARG ILE LEU LYS MET LEU GLU ASP GLN ASN LEU +SEQRES 16 A 209 ILE SER ALA HIS GLY LYS THR ILE VAL VAL TYR GLY THR +SEQRES 17 A 209 ARG +SEQRES 1 B 209 VAL LEU GLY LYS PRO GLN THR ASP PRO THR LEU GLU TRP +SEQRES 2 B 209 PHE LEU SER HIS CYS HIS ILE HIS LYS TYR PRO SER LYS +SEQRES 3 B 209 SER THR LEU ILE HIS GLN GLY GLU LYS ALA GLU THR LEU +SEQRES 4 B 209 TYR TYR ILE VAL LYS GLY SER VAL ALA VAL LEU ILE LYS +SEQRES 5 B 209 ASP GLU GLU GLY LYS GLU MET ILE LEU SER TYR LEU ASN +SEQRES 6 B 209 GLN GLY ASP PHE ILE GLY GLU LEU GLY LEU PHE GLU GLU +SEQRES 7 B 209 GLY GLN GLU ARG SER ALA TRP VAL ARG ALA LYS THR ALA +SEQRES 8 B 209 CYS GLU VAL ALA GLU ILE SER TYR LYS LYS PHE ARG GLN +SEQRES 9 B 209 LEU ILE GLN VAL ASN PRO ASP ILE LEU MET ARG LEU SER +SEQRES 10 B 209 ALA GLN MET ALA ARG ARG LEU GLN VAL THR SER GLU LYS +SEQRES 11 B 209 VAL GLY ASN LEU ALA PHE LEU ASP VAL THR GLY ARG ILE +SEQRES 12 B 209 ALA GLN THR LEU LEU ASN LEU ALA LYS GLN PRO ASP ALA +SEQRES 13 B 209 MET THR HIS PRO ASP GLY MET GLN ILE LYS ILE THR ARG +SEQRES 14 B 209 GLN GLU ILE GLY GLN ILE VAL GLY CYS SER ARG GLU THR +SEQRES 15 B 209 VAL GLY ARG ILE LEU LYS MET LEU GLU ASP GLN ASN LEU +SEQRES 16 B 209 ILE SER ALA HIS GLY LYS THR ILE VAL VAL TYR GLY THR +SEQRES 17 B 209 ARG +HET CMP B 761 21 +HET CMP A 762 21 +HETNAM CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE +HETSYN CMP CYCLIC AMP; CAMP +FORMUL 7 CMP 2(C10 H12 N5 O6 P) +FORMUL 9 HOH *286(H2 O) +HELIX 1 1 THR A 10 HIS A 17 1 8 +HELIX 2 2 TYR A 99 ILE A 106 1 8 +HELIX 3 3 PRO A 110 PHE A 136 5 27 +HELIX 4 4 VAL A 139 LYS A 152 1 14 +HELIX 5 5 ARG A 169 VAL A 176 1 8 +HELIX 6 6 ARG A 180 ASP A 192 1 13 +HELIX 7 7 THR B 10 SER B 16 1 7 +HELIX 8 8 GLY B 74 PHE B 76 5 3 +HELIX 9 9 TYR B 99 VAL B 108 1 10 +HELIX 10 10 PRO B 110 PHE B 136 1 27 +HELIX 11 11 VAL B 139 LEU B 150 1 12 +HELIX 12 12 ARG B 169 VAL B 176 1 8 +HELIX 13 13 ARG B 180 GLU B 191 1 12 +SHEET 1 A 3 TRP A 85 ALA A 88 0 +SHEET 2 A 3 VAL A 47 LYS A 52 -1 N LEU A 50 O TRP A 85 +SHEET 3 A 3 GLU A 58 LEU A 64 -1 N LEU A 64 O VAL A 47 +SHEET 1 B 3 MET A 163 LYS A 166 0 +SHEET 2 B 3 LYS A 201 VAL A 204 -1 N VAL A 204 O MET A 163 +SHEET 3 B 3 ILE A 196 ALA A 198 -1 N SER A 197 O ILE A 203 +SHEET 1 C 3 HIS B 19 TYR B 23 0 +SHEET 2 C 3 CYS B 92 SER B 98 -1 N GLU B 96 O HIS B 19 +SHEET 3 C 3 THR B 38 LYS B 44 -1 N LYS B 44 O GLU B 93 +SHEET 1 D 3 TRP B 85 ALA B 88 0 +SHEET 2 D 3 SER B 46 LYS B 52 -1 N LEU B 50 O TRP B 85 +SHEET 3 D 3 GLU B 58 ASN B 65 -1 N LEU B 64 O VAL B 47 +SHEET 1 E 2 ILE B 196 HIS B 199 0 +SHEET 2 E 2 LYS B 201 VAL B 204 -1 N ILE B 203 O SER B 197 +SHEET 1 F 2 THR A 38 LYS A 44 0 +SHEET 2 F 2 GLU A 93 SER A 98 -1 N ILE A 97 O LEU A 39 +SITE 1 AC1 10 LEU A 124 SER A 128 VAL B 49 GLY B 71 +SITE 2 AC1 10 GLU B 72 LEU B 73 ARG B 82 SER B 83 +SITE 3 AC1 10 ALA B 84 THR B 127 +SITE 1 AC2 11 ILE A 30 VAL A 49 LEU A 61 GLY A 71 +SITE 2 AC2 11 GLU A 72 LEU A 73 ARG A 82 SER A 83 +SITE 3 AC2 11 THR A 127 LEU B 124 SER B 128 +CRYST1 136.990 152.800 76.060 90.00 90.00 90.00 C 2 2 21 16 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.007299 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.006544 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.013147 0.00000 +ATOM 1 O5' DG C -5 -5.513 61.883 -25.680 1.00 38.64 O +ATOM 2 C5' DG C -5 -4.320 62.508 -25.164 1.00 41.72 C +ATOM 3 C4' DG C -5 -4.328 63.985 -25.475 1.00 38.99 C +ATOM 4 O4' DG C -5 -4.443 64.782 -24.264 1.00 30.81 O +ATOM 5 C3' DG C -5 -3.102 64.474 -26.247 1.00 36.45 C +ATOM 6 O3' DG C -5 -3.629 65.218 -27.360 1.00 46.52 O +ATOM 7 C2' DG C -5 -2.320 65.297 -25.223 1.00 36.24 C +ATOM 8 C1' DG C -5 -3.319 65.650 -24.112 1.00 38.95 C +ATOM 9 N9 DG C -5 -2.861 65.541 -22.717 1.00 36.28 N +ATOM 10 C8 DG C -5 -2.739 64.397 -21.970 1.00 33.98 C +ATOM 11 N7 DG C -5 -2.338 64.624 -20.741 1.00 39.95 N +ATOM 12 C5 DG C -5 -2.185 66.002 -20.669 1.00 35.40 C +ATOM 13 C6 DG C -5 -1.775 66.862 -19.573 1.00 38.15 C +ATOM 14 O6 DG C -5 -1.507 66.565 -18.403 1.00 32.94 O +ATOM 15 N1 DG C -5 -1.712 68.193 -19.962 1.00 38.66 N +ATOM 16 C2 DG C -5 -2.019 68.662 -21.202 1.00 43.52 C +ATOM 17 N2 DG C -5 -1.892 69.982 -21.387 1.00 40.44 N +ATOM 18 N3 DG C -5 -2.423 67.893 -22.212 1.00 46.07 N +ATOM 19 C4 DG C -5 -2.482 66.586 -21.881 1.00 37.80 C +ATOM 20 P DC C -4 -2.672 65.800 -28.514 1.00 43.99 P +ATOM 21 OP1 DC C -4 -3.635 66.486 -29.432 1.00 41.89 O +ATOM 22 OP2 DC C -4 -1.774 64.742 -29.034 1.00 42.54 O +ATOM 23 O5' DC C -4 -1.839 66.949 -27.763 1.00 49.52 O +ATOM 24 C5' DC C -4 -2.502 68.023 -27.042 1.00 39.42 C +ATOM 25 C4' DC C -4 -2.448 69.314 -27.835 1.00 45.05 C +ATOM 26 O4' DC C -4 -2.052 70.421 -26.997 1.00 38.10 O +ATOM 27 C3' DC C -4 -1.383 69.287 -28.922 1.00 48.10 C +ATOM 28 O3' DC C -4 -1.717 70.209 -29.944 1.00 53.24 O +ATOM 29 C2' DC C -4 -0.129 69.756 -28.208 1.00 50.54 C +ATOM 30 C1' DC C -4 -0.629 70.414 -26.930 1.00 46.09 C +ATOM 31 N1 DC C -4 -0.270 69.624 -25.759 1.00 45.78 N +ATOM 32 C2 DC C -4 -0.169 70.270 -24.535 1.00 49.94 C +ATOM 33 O2 DC C -4 -0.365 71.498 -24.495 1.00 55.00 O +ATOM 34 N3 DC C -4 0.137 69.555 -23.425 1.00 45.26 N +ATOM 35 C4 DC C -4 0.342 68.242 -23.523 1.00 45.88 C +ATOM 36 N4 DC C -4 0.631 67.562 -22.396 1.00 39.63 N +ATOM 37 C5 DC C -4 0.257 67.561 -24.780 1.00 47.94 C +ATOM 38 C6 DC C -4 -0.046 68.283 -25.858 1.00 38.54 C +ATOM 39 P DG C -3 -1.047 70.066 -31.388 1.00 48.45 P +ATOM 40 OP1 DG C -3 -2.067 70.399 -32.445 1.00 50.01 O +ATOM 41 OP2 DG C -3 -0.415 68.728 -31.365 1.00 51.07 O +ATOM 42 O5' DG C -3 0.050 71.208 -31.389 1.00 45.60 O +ATOM 43 C5' DG C -3 1.345 70.968 -30.881 1.00 45.65 C +ATOM 44 C4' DG C -3 1.892 72.247 -30.307 1.00 48.82 C +ATOM 45 O4' DG C -3 2.096 72.061 -28.896 1.00 49.02 O +ATOM 46 C3' DG C -3 3.254 72.610 -30.848 1.00 49.88 C +ATOM 47 O3' DG C -3 3.435 74.032 -30.679 1.00 50.46 O +ATOM 48 C2' DG C -3 4.171 71.762 -29.973 1.00 48.77 C +ATOM 49 C1' DG C -3 3.481 71.831 -28.626 1.00 53.28 C +ATOM 50 N9 DG C -3 3.584 70.642 -27.768 1.00 54.83 N +ATOM 51 C8 DG C -3 3.540 69.321 -28.143 1.00 49.73 C +ATOM 52 N7 DG C -3 3.646 68.501 -27.130 1.00 48.47 N +ATOM 53 C5 DG C -3 3.773 69.325 -26.023 1.00 44.64 C +ATOM 54 C6 DG C -3 3.926 69.011 -24.665 1.00 40.91 C +ATOM 55 O6 DG C -3 4.003 67.922 -24.135 1.00 39.80 O +ATOM 56 N1 DG C -3 4.003 70.138 -23.890 1.00 45.45 N +ATOM 57 C2 DG C -3 3.958 71.419 -24.353 1.00 43.65 C +ATOM 58 N2 DG C -3 4.056 72.375 -23.425 1.00 47.81 N +ATOM 59 N3 DG C -3 3.827 71.741 -25.613 1.00 45.65 N +ATOM 60 C4 DG C -3 3.738 70.649 -26.393 1.00 49.55 C +ATOM 61 P DA C -2 4.300 74.860 -31.757 1.00 52.22 P +ATOM 62 OP1 DA C -2 3.369 75.612 -32.671 1.00 48.13 O +ATOM 63 OP2 DA C -2 5.338 73.940 -32.351 1.00 46.12 O +ATOM 64 O5' DA C -2 5.135 75.903 -30.884 1.00 51.19 O +ATOM 65 C5' DA C -2 4.504 76.780 -29.973 1.00 42.96 C +ATOM 66 C4' DA C -2 5.313 76.844 -28.701 1.00 51.90 C +ATOM 67 O4' DA C -2 5.377 75.524 -28.094 1.00 55.00 O +ATOM 68 C3' DA C -2 6.766 77.289 -28.867 1.00 49.76 C +ATOM 69 O3' DA C -2 7.103 78.034 -27.673 1.00 45.65 O +ATOM 70 C2' DA C -2 7.501 75.950 -28.920 1.00 50.32 C +ATOM 71 C1' DA C -2 6.726 75.133 -27.892 1.00 51.61 C +ATOM 72 N9 DA C -2 6.781 73.667 -28.011 1.00 54.31 N +ATOM 73 C8 DA C -2 6.819 72.889 -29.157 1.00 54.67 C +ATOM 74 N7 DA C -2 6.846 71.590 -28.921 1.00 47.83 N +ATOM 75 C5 DA C -2 6.833 71.505 -27.533 1.00 46.09 C +ATOM 76 C6 DA C -2 6.857 70.400 -26.641 1.00 40.88 C +ATOM 77 N6 DA C -2 6.890 69.123 -27.018 1.00 40.41 N +ATOM 78 N1 DA C -2 6.842 70.664 -25.328 1.00 42.95 N +ATOM 79 C2 DA C -2 6.801 71.942 -24.937 1.00 45.27 C +ATOM 80 N3 DA C -2 6.775 73.060 -25.664 1.00 40.58 N +ATOM 81 C4 DA C -2 6.794 72.775 -26.963 1.00 47.40 C +ATOM 82 P DA C -1 8.207 79.196 -27.713 1.00 46.03 P +ATOM 83 OP1 DA C -1 7.595 80.446 -27.189 1.00 40.78 O +ATOM 84 OP2 DA C -1 8.770 79.127 -29.092 1.00 45.36 O +ATOM 85 O5' DA C -1 9.336 78.745 -26.679 1.00 46.41 O +ATOM 86 C5' DA C -1 9.090 78.817 -25.270 1.00 52.50 C +ATOM 87 C4' DA C -1 9.985 77.875 -24.475 1.00 47.09 C +ATOM 88 O4' DA C -1 9.776 76.472 -24.743 1.00 51.83 O +ATOM 89 C3' DA C -1 11.483 78.094 -24.532 1.00 37.18 C +ATOM 90 O3' DA C -1 11.827 78.105 -23.191 1.00 39.85 O +ATOM 91 C2' DA C -1 12.035 76.871 -25.245 1.00 38.58 C +ATOM 92 C1' DA C -1 11.022 75.795 -24.899 1.00 48.80 C +ATOM 93 N9 DA C -1 10.780 74.723 -25.877 1.00 46.32 N +ATOM 94 C8 DA C -1 10.462 74.789 -27.210 1.00 51.01 C +ATOM 95 N7 DA C -1 10.279 73.613 -27.776 1.00 48.57 N +ATOM 96 C5 DA C -1 10.499 72.718 -26.751 1.00 48.85 C +ATOM 97 C6 DA C -1 10.431 71.323 -26.688 1.00 48.01 C +ATOM 98 N6 DA C -1 10.155 70.530 -27.723 1.00 53.37 N +ATOM 99 N1 DA C -1 10.668 70.748 -25.506 1.00 49.06 N +ATOM 100 C2 DA C -1 10.966 71.521 -24.456 1.00 51.75 C +ATOM 101 N3 DA C -1 11.071 72.840 -24.381 1.00 51.23 N +ATOM 102 C4 DA C -1 10.815 73.385 -25.577 1.00 50.45 C +ATOM 103 P DA C 1 13.350 78.050 -22.773 1.00 47.45 P +ATOM 104 OP1 DA C 1 13.469 78.954 -21.582 1.00 45.49 O +ATOM 105 OP2 DA C 1 14.274 78.193 -23.934 1.00 42.50 O +ATOM 106 O5' DA C 1 13.498 76.545 -22.326 1.00 48.52 O +ATOM 107 C5' DA C 1 12.567 75.958 -21.444 1.00 43.66 C +ATOM 108 C4' DA C 1 13.127 74.642 -20.987 1.00 45.75 C +ATOM 109 O4' DA C 1 13.034 73.740 -22.116 1.00 39.86 O +ATOM 110 C3' DA C 1 14.615 74.720 -20.604 1.00 45.30 C +ATOM 111 O3' DA C 1 14.788 74.066 -19.312 1.00 47.29 O +ATOM 112 C2' DA C 1 15.331 74.106 -21.803 1.00 40.69 C +ATOM 113 C1' DA C 1 14.294 73.152 -22.379 1.00 40.17 C +ATOM 114 N9 DA C 1 14.311 72.882 -23.814 1.00 43.03 N +ATOM 115 C8 DA C 1 14.560 73.738 -24.843 1.00 47.38 C +ATOM 116 N7 DA C 1 14.454 73.186 -26.030 1.00 46.14 N +ATOM 117 C5 DA C 1 14.118 71.871 -25.758 1.00 42.97 C +ATOM 118 C6 DA C 1 13.824 70.756 -26.604 1.00 47.73 C +ATOM 119 N6 DA C 1 13.851 70.790 -27.945 1.00 44.81 N +ATOM 120 N1 DA C 1 13.494 69.592 -26.006 1.00 51.72 N +ATOM 121 C2 DA C 1 13.464 69.553 -24.654 1.00 55.00 C +ATOM 122 N3 DA C 1 13.717 70.525 -23.768 1.00 45.64 N +ATOM 123 C4 DA C 1 14.039 71.668 -24.393 1.00 43.59 C +ATOM 124 P DA C 2 16.253 73.696 -18.748 1.00 45.80 P +ATOM 125 OP1 DA C 2 16.183 73.492 -17.271 1.00 44.06 O +ATOM 126 OP2 DA C 2 17.314 74.543 -19.344 1.00 42.72 O +ATOM 127 O5' DA C 2 16.478 72.240 -19.326 1.00 51.30 O +ATOM 128 C5' DA C 2 15.493 71.236 -19.112 1.00 47.61 C +ATOM 129 C4' DA C 2 15.922 69.943 -19.763 1.00 42.19 C +ATOM 130 O4' DA C 2 15.790 70.056 -21.196 1.00 39.05 O +ATOM 131 C3' DA C 2 17.371 69.560 -19.486 1.00 34.23 C +ATOM 132 O3' DA C 2 17.340 68.254 -18.878 1.00 29.13 O +ATOM 133 C2' DA C 2 18.022 69.640 -20.861 1.00 30.35 C +ATOM 134 C1' DA C 2 16.863 69.442 -21.807 1.00 30.17 C +ATOM 135 N9 DA C 2 17.041 70.086 -23.087 1.00 28.16 N +ATOM 136 C8 DA C 2 17.331 71.391 -23.351 1.00 37.58 C +ATOM 137 N7 DA C 2 17.451 71.662 -24.618 1.00 35.88 N +ATOM 138 C5 DA C 2 17.221 70.435 -25.233 1.00 39.40 C +ATOM 139 C6 DA C 2 17.271 70.012 -26.579 1.00 38.39 C +ATOM 140 N6 DA C 2 17.514 70.816 -27.604 1.00 42.42 N +ATOM 141 N1 DA C 2 17.058 68.710 -26.831 1.00 37.24 N +ATOM 142 C2 DA C 2 16.808 67.890 -25.803 1.00 38.70 C +ATOM 143 N3 DA C 2 16.734 68.161 -24.520 1.00 34.87 N +ATOM 144 C4 DA C 2 16.957 69.467 -24.293 1.00 34.26 C +ATOM 145 P DG C 3 18.711 67.431 -18.615 1.00 18.93 P +ATOM 146 OP1 DG C 3 18.258 66.503 -17.501 1.00 17.51 O +ATOM 147 OP2 DG C 3 19.981 68.214 -18.499 1.00 15.92 O +ATOM 148 O5' DG C 3 18.863 66.613 -19.967 1.00 22.62 O +ATOM 149 C5' DG C 3 17.817 65.715 -20.388 1.00 19.89 C +ATOM 150 C4' DG C 3 18.278 64.931 -21.585 1.00 10.77 C +ATOM 151 O4' DG C 3 18.382 65.896 -22.634 1.00 13.32 O +ATOM 152 C3' DG C 3 19.678 64.313 -21.451 1.00 12.75 C +ATOM 153 O3' DG C 3 19.583 62.928 -21.708 1.00 14.83 O +ATOM 154 C2' DG C 3 20.508 65.046 -22.477 1.00 6.00 C +ATOM 155 C1' DG C 3 19.427 65.526 -23.434 1.00 14.49 C +ATOM 156 N9 DG C 3 19.855 66.655 -24.243 1.00 21.27 N +ATOM 157 C8 DG C 3 20.562 67.748 -23.802 1.00 30.68 C +ATOM 158 N7 DG C 3 20.895 68.569 -24.760 1.00 31.53 N +ATOM 159 C5 DG C 3 20.359 67.993 -25.906 1.00 32.34 C +ATOM 160 C6 DG C 3 20.455 68.399 -27.280 1.00 31.35 C +ATOM 161 O6 DG C 3 21.035 69.435 -27.791 1.00 26.87 O +ATOM 162 N1 DG C 3 19.800 67.489 -28.115 1.00 33.43 N +ATOM 163 C2 DG C 3 19.146 66.362 -27.705 1.00 35.48 C +ATOM 164 N2 DG C 3 18.574 65.651 -28.702 1.00 34.59 N +ATOM 165 N3 DG C 3 19.058 65.967 -26.430 1.00 28.62 N +ATOM 166 C4 DG C 3 19.686 66.821 -25.596 1.00 23.64 C +ATOM 167 P DT C 4 20.899 62.044 -21.929 1.00 17.48 P +ATOM 168 OP1 DT C 4 20.504 60.642 -21.676 1.00 28.44 O +ATOM 169 OP2 DT C 4 22.214 62.555 -21.389 1.00 21.50 O +ATOM 170 O5' DT C 4 21.133 62.257 -23.491 1.00 28.24 O +ATOM 171 C5' DT C 4 20.299 61.671 -24.463 1.00 17.17 C +ATOM 172 C4' DT C 4 21.077 61.568 -25.744 1.00 21.82 C +ATOM 173 O4' DT C 4 21.197 62.933 -26.189 1.00 25.33 O +ATOM 174 C3' DT C 4 22.517 61.030 -25.571 1.00 24.78 C +ATOM 175 O3' DT C 4 22.744 59.961 -26.509 1.00 19.15 O +ATOM 176 C2' DT C 4 23.425 62.234 -25.783 1.00 22.80 C +ATOM 177 C1' DT C 4 22.531 63.164 -26.598 1.00 26.79 C +ATOM 178 N1 DT C 4 22.802 64.613 -26.484 1.00 27.98 N +ATOM 179 C2 DT C 4 22.857 65.297 -27.679 1.00 23.63 C +ATOM 180 O2 DT C 4 22.666 64.738 -28.745 1.00 29.11 O +ATOM 181 N3 DT C 4 23.139 66.653 -27.586 1.00 18.52 N +ATOM 182 C4 DT C 4 23.365 67.368 -26.418 1.00 26.60 C +ATOM 183 O4 DT C 4 23.613 68.594 -26.490 1.00 18.40 O +ATOM 184 C5 DT C 4 23.281 66.557 -25.168 1.00 15.09 C +ATOM 185 C7 DT C 4 23.523 67.217 -23.857 1.00 17.01 C +ATOM 186 C6 DT C 4 23.003 65.249 -25.272 1.00 21.89 C +ATOM 187 P DG C 5 24.220 59.323 -26.711 1.00 25.35 P +ATOM 188 OP1 DG C 5 23.806 57.932 -26.932 1.00 24.62 O +ATOM 189 OP2 DG C 5 25.315 59.649 -25.757 1.00 23.48 O +ATOM 190 O5' DG C 5 24.653 59.869 -28.138 1.00 32.80 O +ATOM 191 C5' DG C 5 23.752 59.614 -29.225 1.00 36.50 C +ATOM 192 C4' DG C 5 24.415 59.818 -30.556 1.00 25.94 C +ATOM 193 O4' DG C 5 24.753 61.197 -30.595 1.00 28.89 O +ATOM 194 C3' DG C 5 25.685 59.022 -30.785 1.00 34.63 C +ATOM 195 O3' DG C 5 25.620 58.394 -32.092 1.00 32.43 O +ATOM 196 C2' DG C 5 26.799 60.023 -30.503 1.00 33.78 C +ATOM 197 C1' DG C 5 26.143 61.394 -30.612 1.00 35.99 C +ATOM 198 N9 DG C 5 26.408 62.369 -29.558 1.00 40.06 N +ATOM 199 C8 DG C 5 26.645 62.115 -28.231 1.00 35.11 C +ATOM 200 N7 DG C 5 26.819 63.202 -27.521 1.00 33.83 N +ATOM 201 C5 DG C 5 26.690 64.246 -28.429 1.00 37.23 C +ATOM 202 C6 DG C 5 26.781 65.665 -28.231 1.00 33.12 C +ATOM 203 O6 DG C 5 26.979 66.277 -27.196 1.00 36.14 O +ATOM 204 N1 DG C 5 26.610 66.365 -29.415 1.00 35.63 N +ATOM 205 C2 DG C 5 26.384 65.789 -30.646 1.00 38.08 C +ATOM 206 N2 DG C 5 26.275 66.639 -31.649 1.00 35.21 N +ATOM 207 N3 DG C 5 26.281 64.466 -30.863 1.00 37.93 N +ATOM 208 C4 DG C 5 26.445 63.757 -29.704 1.00 41.91 C +ATOM 209 P DT C 6 26.965 58.071 -32.910 1.00 40.56 P +ATOM 210 OP1 DT C 6 26.564 57.966 -34.310 1.00 35.20 O +ATOM 211 OP2 DT C 6 27.790 56.985 -32.319 1.00 36.00 O +ATOM 212 O5' DT C 6 27.764 59.412 -32.739 1.00 33.05 O +ATOM 213 C5' DT C 6 27.400 60.519 -33.495 1.00 25.39 C +ATOM 214 C4' DT C 6 28.601 60.978 -34.243 1.00 33.42 C +ATOM 215 O4' DT C 6 29.078 62.130 -33.549 1.00 33.86 O +ATOM 216 C3' DT C 6 29.747 59.969 -34.226 1.00 43.29 C +ATOM 217 O3' DT C 6 30.483 60.179 -35.440 1.00 54.14 O +ATOM 218 C2' DT C 6 30.549 60.369 -32.992 1.00 37.21 C +ATOM 219 C1' DT C 6 30.302 61.878 -32.866 1.00 37.56 C +ATOM 220 N1 DT C 6 30.084 62.366 -31.495 1.00 38.76 N +ATOM 221 C2 DT C 6 29.879 63.727 -31.286 1.00 38.07 C +ATOM 222 O2 DT C 6 29.906 64.568 -32.164 1.00 37.79 O +ATOM 223 N3 DT C 6 29.643 64.073 -29.991 1.00 42.06 N +ATOM 224 C4 DT C 6 29.600 63.230 -28.901 1.00 43.79 C +ATOM 225 O4 DT C 6 29.371 63.699 -27.790 1.00 42.64 O +ATOM 226 C5 DT C 6 29.841 61.814 -29.195 1.00 42.21 C +ATOM 227 C7 DT C 6 29.822 60.814 -28.086 1.00 42.65 C +ATOM 228 C6 DT C 6 30.069 61.470 -30.457 1.00 37.01 C +ATOM 229 P DG C 7 31.343 59.002 -36.098 1.00 53.86 P +ATOM 230 OP1 DG C 7 31.126 59.181 -37.584 1.00 47.74 O +ATOM 231 OP2 DG C 7 31.029 57.678 -35.465 1.00 55.00 O +ATOM 232 O5' DG C 7 32.825 59.451 -35.688 1.00 52.23 O +ATOM 233 C5' DG C 7 33.372 60.676 -36.214 1.00 51.25 C +ATOM 234 C4' DG C 7 34.721 61.016 -35.603 1.00 50.70 C +ATOM 235 O4' DG C 7 34.534 61.717 -34.355 1.00 49.07 O +ATOM 236 C3' DG C 7 35.666 59.854 -35.291 1.00 53.77 C +ATOM 237 O3' DG C 7 37.034 60.280 -35.526 1.00 50.25 O +ATOM 238 C2' DG C 7 35.403 59.617 -33.808 1.00 54.16 C +ATOM 239 C1' DG C 7 35.221 61.043 -33.315 1.00 52.84 C +ATOM 240 N9 DG C 7 34.427 61.208 -32.107 1.00 49.18 N +ATOM 241 C8 DG C 7 33.357 60.460 -31.688 1.00 49.23 C +ATOM 242 N7 DG C 7 32.859 60.885 -30.559 1.00 49.36 N +ATOM 243 C5 DG C 7 33.658 61.972 -30.223 1.00 45.61 C +ATOM 244 C6 DG C 7 33.595 62.855 -29.120 1.00 43.93 C +ATOM 245 O6 DG C 7 32.817 62.849 -28.181 1.00 48.29 O +ATOM 246 N1 DG C 7 34.572 63.828 -29.184 1.00 48.24 N +ATOM 247 C2 DG C 7 35.501 63.943 -30.187 1.00 51.08 C +ATOM 248 N2 DG C 7 36.385 64.954 -30.084 1.00 48.89 N +ATOM 249 N3 DG C 7 35.566 63.129 -31.218 1.00 51.58 N +ATOM 250 C4 DG C 7 34.622 62.174 -31.171 1.00 45.71 C +ATOM 251 P DA C 8 38.033 59.370 -36.407 1.00 50.53 P +ATOM 252 OP1 DA C 8 37.594 59.400 -37.818 1.00 54.92 O +ATOM 253 OP2 DA C 8 38.282 58.052 -35.740 1.00 48.74 O +ATOM 254 O5' DA C 8 39.371 60.212 -36.338 1.00 53.18 O +ATOM 255 C5' DA C 8 39.365 61.593 -36.705 1.00 48.77 C +ATOM 256 C4' DA C 8 40.338 62.376 -35.849 1.00 50.89 C +ATOM 257 O4' DA C 8 39.680 62.759 -34.612 1.00 54.00 O +ATOM 258 C3' DA C 8 41.610 61.600 -35.469 1.00 49.06 C +ATOM 259 O3' DA C 8 42.807 62.293 -35.881 1.00 50.06 O +ATOM 260 C2' DA C 8 41.509 61.350 -33.967 1.00 49.82 C +ATOM 261 C1' DA C 8 40.409 62.289 -33.477 1.00 49.02 C +ATOM 262 N9 DA C 8 39.451 61.633 -32.614 1.00 42.96 N +ATOM 263 C8 DA C 8 38.713 60.510 -32.851 1.00 44.89 C +ATOM 264 N7 DA C 8 37.921 60.181 -31.860 1.00 46.16 N +ATOM 265 C5 DA C 8 38.160 61.165 -30.899 1.00 47.10 C +ATOM 266 C6 DA C 8 37.648 61.391 -29.589 1.00 41.87 C +ATOM 267 N6 DA C 8 36.742 60.623 -28.960 1.00 44.15 N +ATOM 268 N1 DA C 8 38.122 62.460 -28.929 1.00 47.70 N +ATOM 269 C2 DA C 8 39.055 63.243 -29.525 1.00 49.80 C +ATOM 270 N3 DA C 8 39.609 63.127 -30.722 1.00 43.83 N +ATOM 271 C4 DA C 8 39.109 62.061 -31.364 1.00 44.77 C +ATOM 272 P DC C 9 43.209 63.711 -35.215 1.00 55.00 P +ATOM 273 OP1 DC C 9 42.187 64.272 -34.220 1.00 45.38 O +ATOM 274 OP2 DC C 9 43.640 64.570 -36.356 1.00 55.00 O +ATOM 275 O5' DC C 9 44.591 63.333 -34.488 1.00 55.00 O +ATOM 276 C5' DC C 9 44.629 62.522 -33.292 1.00 55.00 C +ATOM 277 C4' DC C 9 44.806 63.399 -32.071 1.00 55.00 C +ATOM 278 O4' DC C 9 43.485 63.682 -31.530 1.00 55.00 O +ATOM 279 C3' DC C 9 45.575 62.759 -30.908 1.00 55.00 C +ATOM 280 O3' DC C 9 47.034 62.836 -30.939 1.00 51.34 O +ATOM 281 C2' DC C 9 45.014 63.518 -29.719 1.00 53.94 C +ATOM 282 C1' DC C 9 43.543 63.632 -30.101 1.00 55.00 C +ATOM 283 N1 DC C 9 42.749 62.473 -29.677 1.00 53.80 N +ATOM 284 C2 DC C 9 41.948 62.577 -28.531 1.00 55.00 C +ATOM 285 O2 DC C 9 41.933 63.659 -27.875 1.00 51.65 O +ATOM 286 N3 DC C 9 41.209 61.505 -28.160 1.00 55.00 N +ATOM 287 C4 DC C 9 41.251 60.373 -28.874 1.00 51.33 C +ATOM 288 N4 DC C 9 40.490 59.342 -28.467 1.00 50.82 N +ATOM 289 C5 DC C 9 42.063 60.246 -30.030 1.00 47.38 C +ATOM 290 C6 DC C 9 42.788 61.309 -30.393 1.00 50.58 C +TER 291 DC C 9 +ATOM 292 O5' DA D 10 47.624 63.612 -28.260 1.00 40.15 O +ATOM 293 C5' DA D 10 47.713 64.975 -27.773 1.00 41.23 C +ATOM 294 C4' DA D 10 46.511 65.414 -26.963 1.00 41.91 C +ATOM 295 O4' DA D 10 45.415 64.503 -27.278 1.00 34.07 O +ATOM 296 C3' DA D 10 46.730 65.371 -25.439 1.00 41.10 C +ATOM 297 O3' DA D 10 46.210 66.592 -24.792 1.00 47.10 O +ATOM 298 C2' DA D 10 45.982 64.101 -25.023 1.00 41.97 C +ATOM 299 C1' DA D 10 44.923 63.855 -26.101 1.00 38.41 C +ATOM 300 N9 DA D 10 44.675 62.435 -26.414 1.00 38.72 N +ATOM 301 C8 DA D 10 45.173 61.679 -27.472 1.00 40.02 C +ATOM 302 N7 DA D 10 44.754 60.422 -27.482 1.00 39.04 N +ATOM 303 C5 DA D 10 43.933 60.329 -26.356 1.00 40.81 C +ATOM 304 C6 DA D 10 43.157 59.246 -25.793 1.00 40.05 C +ATOM 305 N6 DA D 10 43.119 58.008 -26.271 1.00 40.66 N +ATOM 306 N1 DA D 10 42.421 59.506 -24.697 1.00 40.43 N +ATOM 307 C2 DA D 10 42.460 60.760 -24.175 1.00 41.52 C +ATOM 308 N3 DA D 10 43.150 61.851 -24.587 1.00 42.57 N +ATOM 309 C4 DA D 10 43.872 61.570 -25.689 1.00 42.70 C +ATOM 310 P DT D 11 46.893 67.211 -23.404 1.00 55.00 P +ATOM 311 OP1 DT D 11 46.017 68.337 -22.865 1.00 42.80 O +ATOM 312 OP2 DT D 11 48.380 67.461 -23.583 1.00 51.84 O +ATOM 313 O5' DT D 11 46.747 66.066 -22.299 1.00 53.94 O +ATOM 314 C5' DT D 11 45.460 65.552 -21.952 1.00 52.33 C +ATOM 315 C4' DT D 11 45.559 64.731 -20.697 1.00 44.09 C +ATOM 316 O4' DT D 11 45.421 63.329 -20.962 1.00 45.97 O +ATOM 317 C3' DT D 11 46.866 64.880 -19.959 1.00 46.39 C +ATOM 318 O3' DT D 11 46.407 64.961 -18.616 1.00 41.22 O +ATOM 319 C2' DT D 11 47.680 63.644 -20.388 1.00 40.78 C +ATOM 320 C1' DT D 11 46.633 62.582 -20.733 1.00 43.45 C +ATOM 321 N1 DT D 11 46.771 61.687 -21.943 1.00 38.73 N +ATOM 322 C2 DT D 11 45.775 60.732 -22.043 1.00 40.38 C +ATOM 323 O2 DT D 11 44.912 60.601 -21.210 1.00 45.18 O +ATOM 324 N3 DT D 11 45.812 59.921 -23.163 1.00 44.88 N +ATOM 325 C4 DT D 11 46.732 59.959 -24.189 1.00 48.90 C +ATOM 326 O4 DT D 11 46.609 59.153 -25.135 1.00 51.75 O +ATOM 327 C5 DT D 11 47.782 60.975 -24.031 1.00 50.82 C +ATOM 328 C7 DT D 11 48.832 61.097 -25.085 1.00 46.89 C +ATOM 329 C6 DT D 11 47.752 61.775 -22.920 1.00 48.86 C +ATOM 330 P DA D 12 47.427 65.166 -17.409 1.00 44.05 P +ATOM 331 OP1 DA D 12 46.773 66.296 -16.675 1.00 51.19 O +ATOM 332 OP2 DA D 12 48.846 65.290 -17.819 1.00 39.32 O +ATOM 333 O5' DA D 12 47.222 63.798 -16.631 1.00 41.66 O +ATOM 334 C5' DA D 12 45.897 63.395 -16.308 1.00 42.93 C +ATOM 335 C4' DA D 12 45.846 61.943 -15.907 1.00 40.30 C +ATOM 336 O4' DA D 12 46.015 61.104 -17.065 1.00 38.86 O +ATOM 337 C3' DA D 12 46.886 61.483 -14.878 1.00 36.09 C +ATOM 338 O3' DA D 12 46.159 60.565 -14.029 1.00 39.85 O +ATOM 339 C2' DA D 12 47.912 60.794 -15.755 1.00 29.38 C +ATOM 340 C1' DA D 12 46.982 60.146 -16.754 1.00 33.47 C +ATOM 341 N9 DA D 12 47.602 59.720 -17.989 1.00 37.85 N +ATOM 342 C8 DA D 12 48.522 60.341 -18.785 1.00 43.89 C +ATOM 343 N7 DA D 12 48.875 59.629 -19.823 1.00 41.94 N +ATOM 344 C5 DA D 12 48.122 58.462 -19.688 1.00 44.73 C +ATOM 345 C6 DA D 12 48.045 57.276 -20.442 1.00 50.44 C +ATOM 346 N6 DA D 12 48.771 57.045 -21.548 1.00 55.00 N +ATOM 347 N1 DA D 12 47.195 56.316 -20.021 1.00 43.24 N +ATOM 348 C2 DA D 12 46.503 56.525 -18.937 1.00 46.08 C +ATOM 349 N3 DA D 12 46.498 57.577 -18.141 1.00 48.18 N +ATOM 350 C4 DA D 12 47.339 58.519 -18.579 1.00 37.62 C +ATOM 351 P DT D 13 46.630 60.215 -12.517 1.00 37.63 P +ATOM 352 OP1 DT D 13 45.320 60.118 -11.796 1.00 40.97 O +ATOM 353 OP2 DT D 13 47.701 61.144 -11.966 1.00 22.15 O +ATOM 354 O5' DT D 13 47.057 58.681 -12.665 1.00 29.87 O +ATOM 355 C5' DT D 13 46.044 57.752 -13.089 1.00 23.04 C +ATOM 356 C4' DT D 13 46.589 56.352 -13.196 1.00 33.54 C +ATOM 357 O4' DT D 13 46.901 56.124 -14.582 1.00 27.11 O +ATOM 358 C3' DT D 13 47.851 56.097 -12.374 1.00 31.73 C +ATOM 359 O3' DT D 13 47.609 55.118 -11.307 1.00 32.77 O +ATOM 360 C2' DT D 13 48.917 55.748 -13.394 1.00 26.91 C +ATOM 361 C1' DT D 13 48.162 55.533 -14.709 1.00 37.09 C +ATOM 362 N1 DT D 13 48.866 56.080 -15.935 1.00 37.48 N +ATOM 363 C2 DT D 13 48.681 55.389 -17.089 1.00 36.31 C +ATOM 364 O2 DT D 13 47.917 54.437 -17.143 1.00 29.73 O +ATOM 365 N3 DT D 13 49.412 55.865 -18.187 1.00 39.84 N +ATOM 366 C4 DT D 13 50.278 56.982 -18.213 1.00 33.61 C +ATOM 367 O4 DT D 13 50.897 57.290 -19.284 1.00 29.75 O +ATOM 368 C5 DT D 13 50.371 57.686 -16.944 1.00 32.94 C +ATOM 369 C7 DT D 13 51.219 58.911 -16.841 1.00 30.73 C +ATOM 370 C6 DT D 13 49.678 57.204 -15.897 1.00 32.29 C +ATOM 371 P DG D 14 48.141 53.580 -11.406 1.00 34.52 P +ATOM 372 OP1 DG D 14 47.664 52.986 -10.144 1.00 43.03 O +ATOM 373 OP2 DG D 14 49.567 53.367 -11.832 1.00 34.75 O +ATOM 374 O5' DG D 14 47.186 52.961 -12.492 1.00 34.22 O +ATOM 375 C5' DG D 14 46.685 51.656 -12.361 1.00 20.60 C +ATOM 376 C4' DG D 14 47.259 50.790 -13.454 1.00 33.01 C +ATOM 377 O4' DG D 14 47.979 51.564 -14.462 1.00 35.41 O +ATOM 378 C3' DG D 14 48.234 49.764 -12.908 1.00 29.23 C +ATOM 379 O3' DG D 14 47.763 48.513 -13.393 1.00 35.76 O +ATOM 380 C2' DG D 14 49.564 50.178 -13.524 1.00 25.97 C +ATOM 381 C1' DG D 14 49.192 50.926 -14.789 1.00 28.17 C +ATOM 382 N9 DG D 14 50.184 51.952 -15.100 1.00 34.28 N +ATOM 383 C8 DG D 14 50.616 52.906 -14.226 1.00 34.34 C +ATOM 384 N7 DG D 14 51.520 53.693 -14.740 1.00 39.87 N +ATOM 385 C5 DG D 14 51.701 53.232 -16.042 1.00 35.52 C +ATOM 386 C6 DG D 14 52.591 53.677 -17.075 1.00 39.91 C +ATOM 387 O6 DG D 14 53.418 54.608 -17.053 1.00 55.00 O +ATOM 388 N1 DG D 14 52.481 52.928 -18.241 1.00 39.09 N +ATOM 389 C2 DG D 14 51.646 51.909 -18.417 1.00 44.38 C +ATOM 390 N2 DG D 14 51.727 51.366 -19.660 1.00 29.85 N +ATOM 391 N3 DG D 14 50.800 51.453 -17.458 1.00 45.72 N +ATOM 392 C4 DG D 14 50.888 52.170 -16.300 1.00 35.90 C +ATOM 393 P DT D 15 48.194 47.114 -12.700 1.00 35.88 P +ATOM 394 OP1 DT D 15 46.932 46.335 -12.890 1.00 37.64 O +ATOM 395 OP2 DT D 15 48.824 47.131 -11.354 1.00 25.79 O +ATOM 396 O5' DT D 15 49.325 46.567 -13.699 1.00 32.23 O +ATOM 397 C5' DT D 15 49.189 46.644 -15.134 1.00 31.46 C +ATOM 398 C4' DT D 15 50.328 45.904 -15.799 1.00 34.61 C +ATOM 399 O4' DT D 15 51.295 46.824 -16.398 1.00 25.68 O +ATOM 400 C3' DT D 15 51.103 45.072 -14.788 1.00 31.64 C +ATOM 401 O3' DT D 15 51.522 43.854 -15.422 1.00 40.68 O +ATOM 402 C2' DT D 15 52.257 45.992 -14.432 1.00 32.75 C +ATOM 403 C1' DT D 15 52.526 46.775 -15.722 1.00 28.85 C +ATOM 404 N1 DT D 15 53.037 48.171 -15.524 1.00 30.96 N +ATOM 405 C2 DT D 15 53.943 48.681 -16.421 1.00 32.87 C +ATOM 406 O2 DT D 15 54.319 48.061 -17.399 1.00 35.12 O +ATOM 407 N3 DT D 15 54.391 49.968 -16.132 1.00 30.06 N +ATOM 408 C4 DT D 15 54.000 50.779 -15.053 1.00 34.39 C +ATOM 409 O4 DT D 15 54.480 51.930 -14.885 1.00 32.34 O +ATOM 410 C5 DT D 15 53.046 50.202 -14.198 1.00 29.25 C +ATOM 411 C7 DT D 15 52.557 51.028 -13.072 1.00 23.55 C +ATOM 412 C6 DT D 15 52.619 48.941 -14.450 1.00 36.88 C +ATOM 413 P DC D 16 51.886 42.548 -14.537 1.00 47.56 P +ATOM 414 OP1 DC D 16 50.930 41.546 -15.049 1.00 52.01 O +ATOM 415 OP2 DC D 16 51.911 42.850 -13.066 1.00 39.57 O +ATOM 416 O5' DC D 16 53.354 42.173 -15.069 1.00 43.85 O +ATOM 417 C5' DC D 16 53.968 43.038 -16.048 1.00 45.50 C +ATOM 418 C4' DC D 16 55.329 42.566 -16.521 1.00 41.40 C +ATOM 419 O4' DC D 16 55.842 43.779 -17.142 1.00 40.11 O +ATOM 420 C3' DC D 16 56.379 42.159 -15.469 1.00 42.83 C +ATOM 421 O3' DC D 16 56.617 40.705 -15.443 1.00 50.50 O +ATOM 422 C2' DC D 16 57.626 42.945 -15.872 1.00 43.83 C +ATOM 423 C1' DC D 16 57.063 44.199 -16.542 1.00 43.62 C +ATOM 424 N1 DC D 16 56.781 45.377 -15.651 1.00 48.11 N +ATOM 425 C2 DC D 16 56.961 46.695 -16.157 1.00 49.75 C +ATOM 426 O2 DC D 16 57.343 46.843 -17.334 1.00 52.85 O +ATOM 427 N3 DC D 16 56.705 47.765 -15.344 1.00 47.43 N +ATOM 428 C4 DC D 16 56.288 47.569 -14.094 1.00 47.79 C +ATOM 429 N4 DC D 16 56.049 48.633 -13.353 1.00 48.62 N +ATOM 430 C5 DC D 16 56.097 46.262 -13.551 1.00 48.58 C +ATOM 431 C6 DC D 16 56.351 45.207 -14.352 1.00 47.19 C +ATOM 432 P DA D 17 57.265 39.990 -14.116 1.00 50.88 P +ATOM 433 OP1 DA D 17 57.140 38.503 -14.120 1.00 52.42 O +ATOM 434 OP2 DA D 17 56.800 40.755 -12.911 1.00 53.33 O +ATOM 435 O5' DA D 17 58.823 40.250 -14.254 1.00 47.97 O +ATOM 436 C5' DA D 17 59.486 40.108 -15.506 1.00 50.60 C +ATOM 437 C4' DA D 17 60.971 40.244 -15.279 1.00 54.94 C +ATOM 438 O4' DA D 17 61.309 41.644 -15.121 1.00 53.71 O +ATOM 439 C3' DA D 17 61.360 39.544 -13.981 1.00 51.07 C +ATOM 440 O3' DA D 17 62.073 38.361 -14.358 1.00 55.00 O +ATOM 441 C2' DA D 17 62.175 40.569 -13.204 1.00 47.55 C +ATOM 442 C1' DA D 17 61.807 41.915 -13.816 1.00 50.35 C +ATOM 443 N9 DA D 17 60.813 42.765 -13.133 1.00 53.31 N +ATOM 444 C8 DA D 17 59.602 42.451 -12.564 1.00 51.71 C +ATOM 445 N7 DA D 17 58.974 43.490 -12.051 1.00 48.20 N +ATOM 446 C5 DA D 17 59.828 44.558 -12.296 1.00 49.79 C +ATOM 447 C6 DA D 17 59.745 45.973 -12.026 1.00 48.14 C +ATOM 448 N6 DA D 17 58.717 46.617 -11.406 1.00 53.16 N +ATOM 449 N1 DA D 17 60.784 46.730 -12.432 1.00 50.75 N +ATOM 450 C2 DA D 17 61.818 46.140 -13.058 1.00 55.00 C +ATOM 451 N3 DA D 17 62.003 44.864 -13.366 1.00 55.00 N +ATOM 452 C4 DA D 17 60.967 44.120 -12.956 1.00 53.56 C +ATOM 453 P DC D 18 62.881 37.531 -13.257 1.00 55.00 P +ATOM 454 OP1 DC D 18 63.806 36.569 -13.918 1.00 55.00 O +ATOM 455 OP2 DC D 18 61.792 37.023 -12.363 1.00 55.00 O +ATOM 456 O5' DC D 18 63.725 38.668 -12.481 1.00 55.00 O +ATOM 457 C5' DC D 18 64.720 39.484 -13.160 1.00 55.00 C +ATOM 458 C4' DC D 18 65.301 40.571 -12.257 1.00 55.00 C +ATOM 459 O4' DC D 18 64.345 41.579 -11.831 1.00 55.00 O +ATOM 460 C3' DC D 18 66.076 40.169 -10.994 1.00 55.00 C +ATOM 461 O3' DC D 18 67.376 40.771 -11.129 1.00 55.00 O +ATOM 462 C2' DC D 18 65.303 40.845 -9.857 1.00 51.99 C +ATOM 463 C1' DC D 18 64.743 42.076 -10.550 1.00 55.00 C +ATOM 464 N1 DC D 18 63.562 42.707 -9.910 1.00 55.00 N +ATOM 465 C2 DC D 18 63.568 44.106 -9.608 1.00 51.80 C +ATOM 466 O2 DC D 18 64.563 44.800 -9.870 1.00 52.18 O +ATOM 467 N3 DC D 18 62.487 44.665 -9.035 1.00 49.03 N +ATOM 468 C4 DC D 18 61.425 43.911 -8.750 1.00 55.00 C +ATOM 469 N4 DC D 18 60.380 44.507 -8.169 1.00 55.00 N +ATOM 470 C5 DC D 18 61.388 42.509 -9.043 1.00 54.12 C +ATOM 471 C6 DC D 18 62.465 41.955 -9.613 1.00 53.62 C +ATOM 472 P DA D 19 68.687 40.114 -10.431 1.00 55.00 P +ATOM 473 OP1 DA D 19 69.500 39.617 -11.583 1.00 55.00 O +ATOM 474 OP2 DA D 19 68.295 39.146 -9.339 1.00 55.00 O +ATOM 475 O5' DA D 19 69.436 41.395 -9.753 1.00 55.00 O +ATOM 476 C5' DA D 19 70.018 42.508 -10.539 1.00 55.00 C +ATOM 477 C4' DA D 19 70.291 43.743 -9.682 1.00 51.18 C +ATOM 478 O4' DA D 19 69.052 44.281 -9.155 1.00 50.47 O +ATOM 479 C3' DA D 19 71.180 43.592 -8.442 1.00 53.79 C +ATOM 480 O3' DA D 19 71.855 44.860 -8.195 1.00 50.52 O +ATOM 481 C2' DA D 19 70.168 43.222 -7.356 1.00 45.35 C +ATOM 482 C1' DA D 19 68.963 44.086 -7.718 1.00 47.95 C +ATOM 483 N9 DA D 19 67.600 43.579 -7.403 1.00 47.99 N +ATOM 484 C8 DA D 19 67.112 42.280 -7.331 1.00 43.37 C +ATOM 485 N7 DA D 19 65.819 42.211 -7.053 1.00 42.86 N +ATOM 486 C5 DA D 19 65.434 43.543 -6.932 1.00 46.50 C +ATOM 487 C6 DA D 19 64.194 44.152 -6.688 1.00 43.94 C +ATOM 488 N6 DA D 19 63.060 43.485 -6.494 1.00 46.00 N +ATOM 489 N1 DA D 19 64.149 45.503 -6.651 1.00 47.67 N +ATOM 490 C2 DA D 19 65.282 46.199 -6.845 1.00 46.77 C +ATOM 491 N3 DA D 19 66.496 45.750 -7.088 1.00 55.00 N +ATOM 492 C4 DA D 19 66.513 44.396 -7.127 1.00 51.00 C +ATOM 493 P DC D 20 71.782 45.583 -6.725 1.00 55.00 P +ATOM 494 OP1 DC D 20 72.849 46.633 -6.709 1.00 50.91 O +ATOM 495 OP2 DC D 20 71.733 44.569 -5.607 1.00 54.46 O +ATOM 496 O5' DC D 20 70.374 46.362 -6.683 1.00 54.73 O +ATOM 497 C5' DC D 20 70.238 47.710 -7.197 1.00 54.18 C +ATOM 498 C4' DC D 20 69.470 48.622 -6.247 1.00 55.00 C +ATOM 499 O4' DC D 20 68.151 48.087 -5.925 1.00 55.00 O +ATOM 500 C3' DC D 20 70.163 48.947 -4.917 1.00 55.00 C +ATOM 501 O3' DC D 20 70.024 50.339 -4.587 1.00 55.00 O +ATOM 502 C2' DC D 20 69.410 48.117 -3.899 1.00 55.00 C +ATOM 503 C1' DC D 20 68.015 47.916 -4.509 1.00 55.00 C +ATOM 504 N1 DC D 20 67.541 46.535 -4.230 1.00 55.00 N +ATOM 505 C2 DC D 20 66.580 46.357 -3.257 1.00 54.91 C +ATOM 506 O2 DC D 20 66.142 47.354 -2.675 1.00 54.11 O +ATOM 507 N3 DC D 20 66.146 45.093 -2.962 1.00 53.87 N +ATOM 508 C4 DC D 20 66.654 44.033 -3.611 1.00 52.79 C +ATOM 509 N4 DC D 20 66.201 42.805 -3.284 1.00 46.47 N +ATOM 510 C5 DC D 20 67.639 44.185 -4.619 1.00 53.77 C +ATOM 511 C6 DC D 20 68.050 45.443 -4.900 1.00 55.00 C +ATOM 512 P DT D 21 71.349 51.237 -4.340 1.00 55.00 P +ATOM 513 OP1 DT D 21 71.080 52.675 -4.656 1.00 55.00 O +ATOM 514 OP2 DT D 21 72.436 50.523 -5.060 1.00 55.00 O +ATOM 515 O5' DT D 21 71.581 51.181 -2.754 1.00 55.00 O +ATOM 516 C5' DT D 21 70.648 50.509 -1.877 1.00 55.00 C +ATOM 517 C4' DT D 21 69.353 51.288 -1.725 1.00 53.47 C +ATOM 518 O4' DT D 21 68.269 50.356 -1.985 1.00 45.29 O +ATOM 519 C3' DT D 21 69.132 51.821 -0.294 1.00 50.57 C +ATOM 520 O3' DT D 21 68.418 53.056 -0.162 1.00 48.03 O +ATOM 521 C2' DT D 21 68.217 50.815 0.360 1.00 44.89 C +ATOM 522 C1' DT D 21 67.470 50.164 -0.793 1.00 52.73 C +ATOM 523 N1 DT D 21 67.497 48.771 -0.422 1.00 51.45 N +ATOM 524 C2 DT D 21 66.672 48.363 0.611 1.00 54.31 C +ATOM 525 O2 DT D 21 65.925 49.113 1.192 1.00 52.35 O +ATOM 526 N3 DT D 21 66.763 47.051 0.943 1.00 53.29 N +ATOM 527 C4 DT D 21 67.578 46.118 0.362 1.00 55.00 C +ATOM 528 O4 DT D 21 67.545 44.972 0.776 1.00 52.90 O +ATOM 529 C5 DT D 21 68.436 46.620 -0.742 1.00 55.00 C +ATOM 530 C7 DT D 21 69.384 45.692 -1.451 1.00 55.00 C +ATOM 531 C6 DT D 21 68.333 47.908 -1.067 1.00 55.00 C +ATOM 532 P DT D 22 68.253 53.679 1.316 1.00 49.59 P +ATOM 533 OP1 DT D 22 68.957 54.996 1.229 1.00 53.20 O +ATOM 534 OP2 DT D 22 68.737 52.641 2.294 1.00 52.51 O +ATOM 535 O5' DT D 22 66.702 53.944 1.661 1.00 45.11 O +ATOM 536 C5' DT D 22 65.685 52.982 1.408 1.00 43.34 C +ATOM 537 C4' DT D 22 65.109 52.358 2.669 1.00 37.37 C +ATOM 538 O4' DT D 22 65.516 50.978 2.621 1.00 47.19 O +ATOM 539 C3' DT D 22 65.387 52.816 4.118 1.00 36.43 C +ATOM 540 O3' DT D 22 64.163 52.776 4.859 1.00 28.16 O +ATOM 541 C2' DT D 22 66.218 51.675 4.691 1.00 41.19 C +ATOM 542 C1' DT D 22 65.635 50.506 3.941 1.00 46.69 C +ATOM 543 N1 DT D 22 66.456 49.288 3.912 1.00 47.59 N +ATOM 544 C2 DT D 22 65.896 48.140 4.438 1.00 45.60 C +ATOM 545 O2 DT D 22 64.774 48.110 4.905 1.00 41.73 O +ATOM 546 N3 DT D 22 66.697 47.032 4.397 1.00 41.54 N +ATOM 547 C4 DT D 22 67.978 46.954 3.893 1.00 44.41 C +ATOM 548 O4 DT D 22 68.587 45.869 3.937 1.00 37.35 O +ATOM 549 C5 DT D 22 68.506 48.214 3.342 1.00 49.96 C +ATOM 550 C7 DT D 22 69.886 48.243 2.759 1.00 44.67 C +ATOM 551 C6 DT D 22 67.723 49.298 3.384 1.00 46.06 C +ATOM 552 P DT D 23 64.136 53.102 6.438 1.00 30.14 P +ATOM 553 OP1 DT D 23 63.002 53.996 6.721 1.00 33.73 O +ATOM 554 OP2 DT D 23 65.479 53.374 7.043 1.00 26.43 O +ATOM 555 O5' DT D 23 63.574 51.803 7.119 1.00 32.66 O +ATOM 556 C5' DT D 23 62.265 51.408 6.852 1.00 27.71 C +ATOM 557 C4' DT D 23 62.073 50.019 7.381 1.00 29.70 C +ATOM 558 O4' DT D 23 63.121 49.183 6.843 1.00 27.87 O +ATOM 559 C3' DT D 23 62.231 49.961 8.896 1.00 29.01 C +ATOM 560 O3' DT D 23 61.095 49.263 9.374 1.00 28.89 O +ATOM 561 C2' DT D 23 63.515 49.178 9.113 1.00 25.76 C +ATOM 562 C1' DT D 23 63.553 48.330 7.869 1.00 28.79 C +ATOM 563 N1 DT D 23 64.885 47.842 7.529 1.00 23.69 N +ATOM 564 C2 DT D 23 65.082 46.487 7.441 1.00 25.02 C +ATOM 565 O2 DT D 23 64.187 45.652 7.618 1.00 21.80 O +ATOM 566 N3 DT D 23 66.342 46.121 7.152 1.00 13.78 N +ATOM 567 C4 DT D 23 67.397 46.933 6.966 1.00 25.71 C +ATOM 568 O4 DT D 23 68.498 46.449 6.756 1.00 21.25 O +ATOM 569 C5 DT D 23 67.123 48.343 7.050 1.00 29.34 C +ATOM 570 C7 DT D 23 68.238 49.322 6.829 1.00 27.25 C +ATOM 571 C6 DT D 23 65.889 48.719 7.324 1.00 27.44 C +ATOM 572 P DT D 24 60.906 48.976 10.950 1.00 45.19 P +ATOM 573 OP1 DT D 24 59.441 49.265 11.231 1.00 39.14 O +ATOM 574 OP2 DT D 24 61.973 49.682 11.755 1.00 35.46 O +ATOM 575 O5' DT D 24 61.155 47.400 11.043 1.00 41.50 O +ATOM 576 C5' DT D 24 60.261 46.509 10.396 1.00 47.88 C +ATOM 577 C4' DT D 24 60.825 45.111 10.372 1.00 47.86 C +ATOM 578 O4' DT D 24 62.109 45.167 9.716 1.00 52.37 O +ATOM 579 C3' DT D 24 61.119 44.541 11.751 1.00 46.21 C +ATOM 580 O3' DT D 24 59.989 43.851 12.280 1.00 40.45 O +ATOM 581 C2' DT D 24 62.247 43.566 11.481 1.00 48.38 C +ATOM 582 C1' DT D 24 62.933 44.136 10.258 1.00 48.35 C +ATOM 583 N1 DT D 24 64.276 44.682 10.479 1.00 44.35 N +ATOM 584 C2 DT D 24 65.343 43.799 10.361 1.00 46.14 C +ATOM 585 O2 DT D 24 65.233 42.588 10.132 1.00 43.07 O +ATOM 586 N3 DT D 24 66.555 44.381 10.526 1.00 49.95 N +ATOM 587 C4 DT D 24 66.807 45.733 10.814 1.00 42.83 C +ATOM 588 O4 DT D 24 67.958 46.144 10.939 1.00 37.01 O +ATOM 589 C5 DT D 24 65.681 46.569 10.948 1.00 50.44 C +ATOM 590 C7 DT D 24 65.917 48.008 11.275 1.00 46.54 C +ATOM 591 C6 DT D 24 64.472 46.018 10.774 1.00 55.00 C +ATOM 592 P DC D 25 59.823 43.757 13.862 1.00 45.23 P +ATOM 593 OP1 DC D 25 58.552 43.027 14.152 1.00 51.17 O +ATOM 594 OP2 DC D 25 60.052 45.094 14.466 1.00 55.00 O +ATOM 595 O5' DC D 25 61.082 42.915 14.316 1.00 43.40 O +ATOM 596 C5' DC D 25 61.259 41.597 13.863 1.00 44.90 C +ATOM 597 C4' DC D 25 62.596 41.073 14.327 1.00 48.98 C +ATOM 598 O4' DC D 25 63.644 41.993 13.944 1.00 49.36 O +ATOM 599 C3' DC D 25 62.752 40.851 15.838 1.00 55.00 C +ATOM 600 O3' DC D 25 63.248 39.495 16.003 1.00 55.00 O +ATOM 601 C2' DC D 25 63.778 41.910 16.252 1.00 49.00 C +ATOM 602 C1' DC D 25 64.600 42.047 14.978 1.00 48.81 C +ATOM 603 N1 DC D 25 65.363 43.291 14.797 1.00 48.40 N +ATOM 604 C2 DC D 25 66.620 43.227 14.136 1.00 46.96 C +ATOM 605 O2 DC D 25 67.067 42.118 13.721 1.00 41.01 O +ATOM 606 N3 DC D 25 67.318 44.357 13.966 1.00 45.61 N +ATOM 607 C4 DC D 25 66.806 45.518 14.418 1.00 45.62 C +ATOM 608 N4 DC D 25 67.531 46.619 14.210 1.00 40.43 N +ATOM 609 C5 DC D 25 65.551 45.599 15.087 1.00 45.76 C +ATOM 610 C6 DC D 25 64.873 44.484 15.253 1.00 42.16 C +ATOM 611 P DG D 26 62.654 38.505 17.163 1.00 49.77 P +ATOM 612 OP1 DG D 26 61.433 37.732 16.764 1.00 52.71 O +ATOM 613 OP2 DG D 26 62.610 39.303 18.437 1.00 55.00 O +ATOM 614 O5' DG D 26 63.794 37.398 17.153 1.00 47.44 O +ATOM 615 C5' DG D 26 64.187 36.792 15.925 1.00 42.09 C +ATOM 616 C4' DG D 26 65.614 36.362 16.046 1.00 43.60 C +ATOM 617 O4' DG D 26 66.473 37.546 16.005 1.00 51.40 O +ATOM 618 C3' DG D 26 65.827 35.763 17.424 1.00 43.50 C +ATOM 619 O3' DG D 26 66.828 34.741 17.320 1.00 52.09 O +ATOM 620 C2' DG D 26 66.255 36.976 18.265 1.00 47.87 C +ATOM 621 C1' DG D 26 67.109 37.773 17.286 1.00 48.54 C +ATOM 622 N9 DG D 26 67.250 39.228 17.427 1.00 38.12 N +ATOM 623 C8 DG D 26 66.246 40.140 17.640 1.00 43.80 C +ATOM 624 N7 DG D 26 66.661 41.380 17.642 1.00 36.92 N +ATOM 625 C5 DG D 26 68.033 41.284 17.435 1.00 41.01 C +ATOM 626 C6 DG D 26 69.063 42.328 17.270 1.00 44.75 C +ATOM 627 O6 DG D 26 68.950 43.573 17.314 1.00 47.53 O +ATOM 628 N1 DG D 26 70.312 41.778 17.032 1.00 43.50 N +ATOM 629 C2 DG D 26 70.570 40.445 16.958 1.00 42.91 C +ATOM 630 N2 DG D 26 71.853 40.155 16.729 1.00 53.81 N +ATOM 631 N3 DG D 26 69.652 39.471 17.097 1.00 35.37 N +ATOM 632 C4 DG D 26 68.418 39.958 17.325 1.00 36.11 C +TER 633 DG D 26 +ATOM 634 O5' DG E 27 76.815 50.937 20.413 1.00 52.03 O +ATOM 635 C5' DG E 27 76.054 50.947 19.139 1.00 53.94 C +ATOM 636 C4' DG E 27 75.889 49.574 18.513 1.00 51.38 C +ATOM 637 O4' DG E 27 74.911 48.814 19.274 1.00 46.86 O +ATOM 638 C3' DG E 27 75.394 49.567 17.056 1.00 51.37 C +ATOM 639 O3' DG E 27 75.926 48.411 16.350 1.00 50.51 O +ATOM 640 C2' DG E 27 73.899 49.383 17.243 1.00 43.52 C +ATOM 641 C1' DG E 27 73.922 48.381 18.380 1.00 44.32 C +ATOM 642 N9 DG E 27 72.671 48.258 19.097 1.00 45.59 N +ATOM 643 C8 DG E 27 71.886 49.247 19.620 1.00 44.53 C +ATOM 644 N7 DG E 27 70.800 48.789 20.181 1.00 42.86 N +ATOM 645 C5 DG E 27 70.888 47.416 20.018 1.00 44.90 C +ATOM 646 C6 DG E 27 69.997 46.398 20.364 1.00 40.74 C +ATOM 647 O6 DG E 27 68.912 46.488 20.927 1.00 37.40 O +ATOM 648 N1 DG E 27 70.472 45.144 19.975 1.00 48.90 N +ATOM 649 C2 DG E 27 71.645 44.910 19.330 1.00 43.29 C +ATOM 650 N2 DG E 27 71.934 43.644 19.044 1.00 46.92 N +ATOM 651 N3 DG E 27 72.481 45.855 18.991 1.00 48.53 N +ATOM 652 C4 DG E 27 72.041 47.079 19.362 1.00 48.50 C +ATOM 653 P DC E 26 77.243 48.546 15.372 1.00 55.00 P +ATOM 654 OP1 DC E 26 78.447 49.313 15.988 1.00 49.85 O +ATOM 655 OP2 DC E 26 76.668 48.997 14.044 1.00 51.68 O +ATOM 656 O5' DC E 26 77.710 47.015 15.131 1.00 55.00 O +ATOM 657 C5' DC E 26 77.827 46.054 16.232 1.00 55.00 C +ATOM 658 C4' DC E 26 77.505 44.639 15.778 1.00 51.81 C +ATOM 659 O4' DC E 26 76.285 44.147 16.368 1.00 51.44 O +ATOM 660 C3' DC E 26 77.301 44.546 14.290 1.00 49.35 C +ATOM 661 O3' DC E 26 78.538 44.108 13.821 1.00 54.36 O +ATOM 662 C2' DC E 26 76.171 43.547 14.091 1.00 48.19 C +ATOM 663 C1' DC E 26 75.409 43.551 15.403 1.00 49.02 C +ATOM 664 N1 DC E 26 74.121 44.276 15.515 1.00 51.88 N +ATOM 665 C2 DC E 26 73.000 43.598 16.103 1.00 53.04 C +ATOM 666 O2 DC E 26 73.110 42.407 16.459 1.00 47.84 O +ATOM 667 N3 DC E 26 71.828 44.278 16.261 1.00 52.98 N +ATOM 668 C4 DC E 26 71.730 45.558 15.859 1.00 51.67 C +ATOM 669 N4 DC E 26 70.567 46.165 16.047 1.00 43.98 N +ATOM 670 C5 DC E 26 72.830 46.257 15.249 1.00 49.23 C +ATOM 671 C6 DC E 26 73.993 45.583 15.094 1.00 50.39 C +ATOM 672 P DG E 25 79.173 44.843 12.573 1.00 55.00 P +ATOM 673 OP1 DG E 25 80.584 44.328 12.444 1.00 55.00 O +ATOM 674 OP2 DG E 25 78.966 46.306 12.897 1.00 55.00 O +ATOM 675 O5' DG E 25 78.196 44.364 11.359 1.00 55.00 O +ATOM 676 C5' DG E 25 78.478 43.209 10.495 1.00 52.26 C +ATOM 677 C4' DG E 25 77.452 42.082 10.656 1.00 54.91 C +ATOM 678 O4' DG E 25 76.352 42.332 11.592 1.00 52.47 O +ATOM 679 C3' DG E 25 76.787 41.631 9.357 1.00 52.97 C +ATOM 680 O3' DG E 25 76.872 40.204 9.195 1.00 55.00 O +ATOM 681 C2' DG E 25 75.325 42.029 9.526 1.00 46.88 C +ATOM 682 C1' DG E 25 75.059 42.062 11.019 1.00 45.56 C +ATOM 683 N9 DG E 25 74.155 43.181 11.354 1.00 49.90 N +ATOM 684 C8 DG E 25 74.374 44.512 10.982 1.00 48.23 C +ATOM 685 N7 DG E 25 73.428 45.341 11.395 1.00 54.11 N +ATOM 686 C5 DG E 25 72.508 44.523 12.092 1.00 53.48 C +ATOM 687 C6 DG E 25 71.237 44.842 12.755 1.00 51.42 C +ATOM 688 O6 DG E 25 70.631 45.910 12.948 1.00 54.79 O +ATOM 689 N1 DG E 25 70.590 43.717 13.342 1.00 51.03 N +ATOM 690 C2 DG E 25 71.130 42.430 13.246 1.00 48.33 C +ATOM 691 N2 DG E 25 70.361 41.479 13.843 1.00 51.08 N +ATOM 692 N3 DG E 25 72.305 42.100 12.630 1.00 55.00 N +ATOM 693 C4 DG E 25 72.933 43.175 12.079 1.00 55.00 C +ATOM 694 P DA E 24 75.959 39.437 8.054 1.00 55.00 P +ATOM 695 OP1 DA E 24 76.876 38.575 7.240 1.00 55.00 O +ATOM 696 OP2 DA E 24 74.999 40.347 7.343 1.00 55.00 O +ATOM 697 O5' DA E 24 74.998 38.491 8.907 1.00 55.00 O +ATOM 698 C5' DA E 24 74.545 37.267 8.371 1.00 49.21 C +ATOM 699 C4' DA E 24 73.080 37.354 8.023 1.00 53.41 C +ATOM 700 O4' DA E 24 72.543 38.610 8.503 1.00 55.00 O +ATOM 701 C3' DA E 24 72.777 37.314 6.525 1.00 53.84 C +ATOM 702 O3' DA E 24 72.005 36.138 6.223 1.00 55.00 O +ATOM 703 C2' DA E 24 71.991 38.601 6.269 1.00 51.21 C +ATOM 704 C1' DA E 24 71.495 39.001 7.641 1.00 53.09 C +ATOM 705 N9 DA E 24 71.258 40.434 7.851 1.00 51.31 N +ATOM 706 C8 DA E 24 71.943 41.479 7.286 1.00 50.95 C +ATOM 707 N7 DA E 24 71.514 42.663 7.669 1.00 50.11 N +ATOM 708 C5 DA E 24 70.476 42.382 8.549 1.00 49.64 C +ATOM 709 C6 DA E 24 69.595 43.218 9.293 1.00 46.44 C +ATOM 710 N6 DA E 24 69.656 44.541 9.291 1.00 45.03 N +ATOM 711 N1 DA E 24 68.649 42.627 10.048 1.00 45.59 N +ATOM 712 C2 DA E 24 68.590 41.290 10.062 1.00 47.74 C +ATOM 713 N3 DA E 24 69.356 40.395 9.419 1.00 50.88 N +ATOM 714 C4 DA E 24 70.296 41.013 8.669 1.00 52.45 C +ATOM 715 P DA E 23 71.714 35.715 4.677 1.00 54.54 P +ATOM 716 OP1 DA E 23 72.718 34.754 4.100 1.00 49.35 O +ATOM 717 OP2 DA E 23 71.403 36.956 3.919 1.00 55.00 O +ATOM 718 O5' DA E 23 70.316 34.963 4.838 1.00 55.00 O +ATOM 719 C5' DA E 23 69.127 35.548 4.284 1.00 55.00 C +ATOM 720 C4' DA E 23 68.169 35.984 5.370 1.00 55.00 C +ATOM 721 O4' DA E 23 68.656 37.171 6.062 1.00 55.00 O +ATOM 722 C3' DA E 23 66.821 36.393 4.764 1.00 55.00 C +ATOM 723 O3' DA E 23 65.731 36.062 5.641 1.00 53.81 O +ATOM 724 C2' DA E 23 66.940 37.894 4.704 1.00 51.47 C +ATOM 725 C1' DA E 23 67.585 38.100 6.055 1.00 55.00 C +ATOM 726 N9 DA E 23 68.118 39.441 6.145 1.00 52.72 N +ATOM 727 C8 DA E 23 69.365 39.874 5.813 1.00 54.03 C +ATOM 728 N7 DA E 23 69.536 41.161 5.982 1.00 53.57 N +ATOM 729 C5 DA E 23 68.306 41.601 6.463 1.00 54.44 C +ATOM 730 C6 DA E 23 67.842 42.879 6.823 1.00 53.98 C +ATOM 731 N6 DA E 23 68.618 43.955 6.763 1.00 45.51 N +ATOM 732 N1 DA E 23 66.557 43.000 7.249 1.00 53.50 N +ATOM 733 C2 DA E 23 65.801 41.870 7.314 1.00 50.02 C +ATOM 734 N3 DA E 23 66.139 40.608 7.005 1.00 47.55 N +ATOM 735 C4 DA E 23 67.423 40.547 6.576 1.00 51.14 C +ATOM 736 P DA E 22 64.302 35.689 5.007 1.00 53.92 P +ATOM 737 OP1 DA E 22 63.736 34.474 5.679 1.00 49.17 O +ATOM 738 OP2 DA E 22 64.476 35.720 3.504 1.00 51.84 O +ATOM 739 O5' DA E 22 63.365 36.935 5.359 1.00 55.00 O +ATOM 740 C5' DA E 22 63.127 37.367 6.715 1.00 46.95 C +ATOM 741 C4' DA E 22 62.418 38.710 6.735 1.00 45.04 C +ATOM 742 O4' DA E 22 63.347 39.798 6.439 1.00 47.43 O +ATOM 743 C3' DA E 22 61.279 38.817 5.729 1.00 38.46 C +ATOM 744 O3' DA E 22 60.065 39.212 6.372 1.00 38.57 O +ATOM 745 C2' DA E 22 61.767 39.813 4.677 1.00 47.54 C +ATOM 746 C1' DA E 22 62.889 40.611 5.347 1.00 47.32 C +ATOM 747 N9 DA E 22 64.064 40.975 4.511 1.00 44.09 N +ATOM 748 C8 DA E 22 64.814 40.206 3.639 1.00 43.81 C +ATOM 749 N7 DA E 22 65.809 40.852 3.078 1.00 34.03 N +ATOM 750 C5 DA E 22 65.714 42.126 3.599 1.00 35.70 C +ATOM 751 C6 DA E 22 66.490 43.303 3.408 1.00 42.53 C +ATOM 752 N6 DA E 22 67.561 43.378 2.626 1.00 31.47 N +ATOM 753 N1 DA E 22 66.115 44.416 4.078 1.00 45.66 N +ATOM 754 C2 DA E 22 65.041 44.339 4.896 1.00 49.43 C +ATOM 755 N3 DA E 22 64.248 43.300 5.167 1.00 41.35 N +ATOM 756 C4 DA E 22 64.640 42.221 4.480 1.00 42.45 C +ATOM 757 P DA E 21 58.670 39.179 5.549 1.00 44.62 P +ATOM 758 OP1 DA E 21 57.556 38.836 6.486 1.00 32.06 O +ATOM 759 OP2 DA E 21 58.857 38.382 4.286 1.00 46.37 O +ATOM 760 O5' DA E 21 58.475 40.712 5.107 1.00 42.28 O +ATOM 761 C5' DA E 21 59.597 41.523 4.708 1.00 38.93 C +ATOM 762 C4' DA E 21 59.318 42.993 4.955 1.00 41.83 C +ATOM 763 O4' DA E 21 60.555 43.697 4.734 1.00 32.73 O +ATOM 764 C3' DA E 21 58.295 43.629 3.997 1.00 41.75 C +ATOM 765 O3' DA E 21 57.548 44.734 4.575 1.00 39.58 O +ATOM 766 C2' DA E 21 59.157 44.133 2.869 1.00 39.30 C +ATOM 767 C1' DA E 21 60.468 44.469 3.546 1.00 39.63 C +ATOM 768 N9 DA E 21 61.565 44.068 2.695 1.00 38.52 N +ATOM 769 C8 DA E 21 61.926 42.789 2.346 1.00 38.92 C +ATOM 770 N7 DA E 21 62.978 42.730 1.564 1.00 43.30 N +ATOM 771 C5 DA E 21 63.326 44.063 1.383 1.00 38.01 C +ATOM 772 C6 DA E 21 64.335 44.671 0.640 1.00 38.24 C +ATOM 773 N6 DA E 21 65.220 43.983 -0.069 1.00 37.92 N +ATOM 774 N1 DA E 21 64.398 46.027 0.648 1.00 37.53 N +ATOM 775 C2 DA E 21 63.490 46.703 1.367 1.00 42.33 C +ATOM 776 N3 DA E 21 62.477 46.234 2.116 1.00 41.43 N +ATOM 777 C4 DA E 21 62.456 44.894 2.077 1.00 41.22 C +ATOM 778 P DG E 20 56.496 45.563 3.651 1.00 35.88 P +ATOM 779 OP1 DG E 20 55.614 46.437 4.478 1.00 31.43 O +ATOM 780 OP2 DG E 20 55.882 44.663 2.625 1.00 35.43 O +ATOM 781 O5' DG E 20 57.478 46.525 2.901 1.00 29.98 O +ATOM 782 C5' DG E 20 58.003 47.636 3.583 1.00 34.54 C +ATOM 783 C4' DG E 20 58.814 48.442 2.615 1.00 33.02 C +ATOM 784 O4' DG E 20 59.779 47.534 2.041 1.00 34.59 O +ATOM 785 C3' DG E 20 58.001 48.962 1.445 1.00 28.18 C +ATOM 786 O3' DG E 20 58.368 50.304 1.267 1.00 31.84 O +ATOM 787 C2' DG E 20 58.427 48.090 0.274 1.00 24.01 C +ATOM 788 C1' DG E 20 59.843 47.766 0.673 1.00 33.70 C +ATOM 789 N9 DG E 20 60.511 46.625 0.038 1.00 39.70 N +ATOM 790 C8 DG E 20 60.160 45.310 0.064 1.00 41.86 C +ATOM 791 N7 DG E 20 60.971 44.562 -0.622 1.00 40.21 N +ATOM 792 C5 DG E 20 61.912 45.439 -1.129 1.00 39.46 C +ATOM 793 C6 DG E 20 63.023 45.219 -1.978 1.00 42.77 C +ATOM 794 O6 DG E 20 63.435 44.136 -2.462 1.00 48.02 O +ATOM 795 N1 DG E 20 63.694 46.413 -2.267 1.00 47.66 N +ATOM 796 C2 DG E 20 63.346 47.647 -1.798 1.00 43.49 C +ATOM 797 N2 DG E 20 64.090 48.708 -2.155 1.00 41.39 N +ATOM 798 N3 DG E 20 62.322 47.846 -1.018 1.00 51.55 N +ATOM 799 C4 DG E 20 61.650 46.708 -0.727 1.00 43.30 C +ATOM 800 P DT E 19 57.518 51.213 0.287 1.00 37.34 P +ATOM 801 OP1 DT E 19 57.389 52.564 0.903 1.00 34.68 O +ATOM 802 OP2 DT E 19 56.285 50.421 -0.010 1.00 32.52 O +ATOM 803 O5' DT E 19 58.517 51.354 -0.946 1.00 35.58 O +ATOM 804 C5' DT E 19 59.918 51.272 -0.690 1.00 37.61 C +ATOM 805 C4' DT E 19 60.731 51.616 -1.914 1.00 36.56 C +ATOM 806 O4' DT E 19 61.488 50.495 -2.457 1.00 36.16 O +ATOM 807 C3' DT E 19 59.941 52.190 -3.054 1.00 31.27 C +ATOM 808 O3' DT E 19 60.782 53.199 -3.511 1.00 35.91 O +ATOM 809 C2' DT E 19 59.875 51.040 -4.044 1.00 32.28 C +ATOM 810 C1' DT E 19 61.204 50.309 -3.831 1.00 34.74 C +ATOM 811 N1 DT E 19 61.139 48.823 -4.108 1.00 39.24 N +ATOM 812 C2 DT E 19 62.056 48.231 -4.969 1.00 39.34 C +ATOM 813 O2 DT E 19 62.968 48.836 -5.511 1.00 33.32 O +ATOM 814 N3 DT E 19 61.864 46.875 -5.172 1.00 39.91 N +ATOM 815 C4 DT E 19 60.905 46.074 -4.622 1.00 37.40 C +ATOM 816 O4 DT E 19 60.866 44.887 -4.925 1.00 38.10 O +ATOM 817 C5 DT E 19 59.999 46.742 -3.713 1.00 35.96 C +ATOM 818 C7 DT E 19 58.931 45.956 -3.036 1.00 41.93 C +ATOM 819 C6 DT E 19 60.158 48.058 -3.510 1.00 34.58 C +ATOM 820 P DG E 18 60.270 54.206 -4.605 1.00 42.65 P +ATOM 821 OP1 DG E 18 60.467 55.571 -4.029 1.00 41.97 O +ATOM 822 OP2 DG E 18 58.901 53.746 -4.944 1.00 47.76 O +ATOM 823 O5' DG E 18 61.246 53.943 -5.856 1.00 38.01 O +ATOM 824 C5' DG E 18 62.638 54.190 -5.723 1.00 38.48 C +ATOM 825 C4' DG E 18 63.356 54.187 -7.058 1.00 46.55 C +ATOM 826 O4' DG E 18 63.450 52.866 -7.644 1.00 48.23 O +ATOM 827 C3' DG E 18 62.878 55.078 -8.196 1.00 45.63 C +ATOM 828 O3' DG E 18 64.092 55.339 -8.943 1.00 50.80 O +ATOM 829 C2' DG E 18 61.938 54.136 -8.937 1.00 49.45 C +ATOM 830 C1' DG E 18 62.673 52.795 -8.845 1.00 48.50 C +ATOM 831 N9 DG E 18 61.814 51.654 -8.633 1.00 44.58 N +ATOM 832 C8 DG E 18 60.501 51.661 -8.245 1.00 46.93 C +ATOM 833 N7 DG E 18 60.013 50.466 -8.078 1.00 48.45 N +ATOM 834 C5 DG E 18 61.073 49.631 -8.385 1.00 42.07 C +ATOM 835 C6 DG E 18 61.136 48.247 -8.372 1.00 44.13 C +ATOM 836 O6 DG E 18 60.232 47.444 -8.068 1.00 52.69 O +ATOM 837 N1 DG E 18 62.394 47.786 -8.759 1.00 44.83 N +ATOM 838 C2 DG E 18 63.453 48.598 -9.117 1.00 45.97 C +ATOM 839 N2 DG E 18 64.607 47.959 -9.477 1.00 51.61 N +ATOM 840 N3 DG E 18 63.390 49.917 -9.125 1.00 40.76 N +ATOM 841 C4 DG E 18 62.179 50.356 -8.746 1.00 39.81 C +ATOM 842 P DT E 17 64.052 55.714 -10.514 1.00 47.33 P +ATOM 843 OP1 DT E 17 65.460 55.897 -10.979 1.00 48.13 O +ATOM 844 OP2 DT E 17 63.021 56.776 -10.740 1.00 44.36 O +ATOM 845 O5' DT E 17 63.540 54.442 -11.307 1.00 48.33 O +ATOM 846 C5' DT E 17 63.404 54.526 -12.733 1.00 50.22 C +ATOM 847 C4' DT E 17 64.334 53.542 -13.396 1.00 46.62 C +ATOM 848 O4' DT E 17 64.194 52.341 -12.610 1.00 45.10 O +ATOM 849 C3' DT E 17 64.002 53.192 -14.862 1.00 49.85 C +ATOM 850 O3' DT E 17 65.184 53.012 -15.661 1.00 52.17 O +ATOM 851 C2' DT E 17 63.278 51.860 -14.784 1.00 45.71 C +ATOM 852 C1' DT E 17 63.541 51.335 -13.356 1.00 47.17 C +ATOM 853 N1 DT E 17 62.264 50.996 -12.698 1.00 47.14 N +ATOM 854 C2 DT E 17 62.100 49.681 -12.303 1.00 51.28 C +ATOM 855 O2 DT E 17 63.003 48.825 -12.412 1.00 48.33 O +ATOM 856 N3 DT E 17 60.846 49.399 -11.771 1.00 43.49 N +ATOM 857 C4 DT E 17 59.774 50.291 -11.592 1.00 46.51 C +ATOM 858 O4 DT E 17 58.658 49.863 -11.140 1.00 39.29 O +ATOM 859 C5 DT E 17 60.068 51.671 -11.981 1.00 42.35 C +ATOM 860 C7 DT E 17 59.032 52.728 -11.773 1.00 44.19 C +ATOM 861 C6 DT E 17 61.268 51.940 -12.510 1.00 40.37 C +ATOM 862 P DG E 16 66.107 54.281 -16.042 1.00 55.00 P +ATOM 863 OP1 DG E 16 67.342 53.808 -16.739 1.00 53.75 O +ATOM 864 OP2 DG E 16 66.211 55.250 -14.921 1.00 48.58 O +ATOM 865 O5' DG E 16 65.200 55.084 -17.037 1.00 49.31 O +ATOM 866 C5' DG E 16 63.824 54.899 -16.964 1.00 46.94 C +ATOM 867 C4' DG E 16 63.473 53.775 -17.889 1.00 47.78 C +ATOM 868 O4' DG E 16 62.696 52.796 -17.186 1.00 46.10 O +ATOM 869 C3' DG E 16 62.662 54.272 -19.081 1.00 47.58 C +ATOM 870 O3' DG E 16 63.271 53.787 -20.284 1.00 51.79 O +ATOM 871 C2' DG E 16 61.261 53.740 -18.844 1.00 38.47 C +ATOM 872 C1' DG E 16 61.452 52.636 -17.824 1.00 45.43 C +ATOM 873 N9 DG E 16 60.446 52.622 -16.785 1.00 42.31 N +ATOM 874 C8 DG E 16 59.905 53.658 -16.070 1.00 40.73 C +ATOM 875 N7 DG E 16 59.002 53.254 -15.207 1.00 48.69 N +ATOM 876 C5 DG E 16 58.967 51.862 -15.384 1.00 49.32 C +ATOM 877 C6 DG E 16 58.199 50.811 -14.717 1.00 48.44 C +ATOM 878 O6 DG E 16 57.352 50.905 -13.824 1.00 55.00 O +ATOM 879 N1 DG E 16 58.528 49.552 -15.211 1.00 42.76 N +ATOM 880 C2 DG E 16 59.468 49.308 -16.187 1.00 45.90 C +ATOM 881 N2 DG E 16 59.707 47.991 -16.545 1.00 48.70 N +ATOM 882 N3 DG E 16 60.156 50.259 -16.794 1.00 44.20 N +ATOM 883 C4 DG E 16 59.858 51.484 -16.350 1.00 46.58 C +ATOM 884 P DA E 15 63.219 54.667 -21.630 1.00 48.78 P +ATOM 885 OP1 DA E 15 64.491 54.334 -22.319 1.00 49.49 O +ATOM 886 OP2 DA E 15 62.900 56.072 -21.368 1.00 47.04 O +ATOM 887 O5' DA E 15 62.003 53.956 -22.388 1.00 50.35 O +ATOM 888 C5' DA E 15 62.193 52.587 -22.847 1.00 55.00 C +ATOM 889 C4' DA E 15 60.884 51.882 -23.146 1.00 54.07 C +ATOM 890 O4' DA E 15 60.057 51.856 -21.951 1.00 55.00 O +ATOM 891 C3' DA E 15 60.030 52.506 -24.249 1.00 55.00 C +ATOM 892 O3' DA E 15 59.366 51.441 -24.985 1.00 54.15 O +ATOM 893 C2' DA E 15 59.060 53.372 -23.439 1.00 55.00 C +ATOM 894 C1' DA E 15 58.828 52.537 -22.177 1.00 55.00 C +ATOM 895 N9 DA E 15 58.442 53.214 -20.916 1.00 55.00 N +ATOM 896 C8 DA E 15 58.819 54.415 -20.354 1.00 55.00 C +ATOM 897 N7 DA E 15 58.245 54.659 -19.183 1.00 55.00 N +ATOM 898 C5 DA E 15 57.441 53.549 -18.966 1.00 55.00 C +ATOM 899 C6 DA E 15 56.567 53.166 -17.897 1.00 55.00 C +ATOM 900 N6 DA E 15 56.336 53.876 -16.772 1.00 55.00 N +ATOM 901 N1 DA E 15 55.919 51.984 -18.024 1.00 51.06 N +ATOM 902 C2 DA E 15 56.134 51.243 -19.125 1.00 52.90 C +ATOM 903 N3 DA E 15 56.918 51.484 -20.170 1.00 54.93 N +ATOM 904 C4 DA E 15 57.548 52.658 -20.028 1.00 55.00 C +ATOM 905 P DC E 14 59.195 51.524 -26.604 1.00 55.00 P +ATOM 906 OP1 DC E 14 60.535 51.396 -27.248 1.00 55.00 O +ATOM 907 OP2 DC E 14 58.305 52.667 -26.991 1.00 47.13 O +ATOM 908 O5' DC E 14 58.337 50.217 -26.930 1.00 55.00 O +ATOM 909 C5' DC E 14 56.944 50.331 -27.221 1.00 55.00 C +ATOM 910 C4' DC E 14 56.087 49.951 -26.023 1.00 55.00 C +ATOM 911 O4' DC E 14 56.365 50.736 -24.811 1.00 55.00 O +ATOM 912 C3' DC E 14 54.592 50.189 -26.301 1.00 55.00 C +ATOM 913 O3' DC E 14 53.817 49.077 -26.830 1.00 55.00 O +ATOM 914 C2' DC E 14 54.029 50.720 -24.984 1.00 55.00 C +ATOM 915 C1' DC E 14 55.192 50.605 -23.992 1.00 55.00 C +ATOM 916 N1 DC E 14 55.148 51.659 -22.944 1.00 55.00 N +ATOM 917 C2 DC E 14 54.368 51.408 -21.780 1.00 52.47 C +ATOM 918 O2 DC E 14 53.796 50.317 -21.678 1.00 52.63 O +ATOM 919 N3 DC E 14 54.268 52.375 -20.795 1.00 55.00 N +ATOM 920 C4 DC E 14 54.927 53.543 -20.939 1.00 55.00 C +ATOM 921 N4 DC E 14 54.818 54.470 -19.936 1.00 54.40 N +ATOM 922 C5 DC E 14 55.733 53.817 -22.108 1.00 52.28 C +ATOM 923 C6 DC E 14 55.815 52.856 -23.074 1.00 51.39 C +TER 924 DC E 14 +ATOM 925 O5' DA F 13 52.196 46.541 -24.451 1.00 31.30 O +ATOM 926 C5' DA F 13 51.581 46.001 -23.228 1.00 41.30 C +ATOM 927 C4' DA F 13 50.321 46.697 -22.750 1.00 42.45 C +ATOM 928 O4' DA F 13 50.662 47.980 -22.131 1.00 45.17 O +ATOM 929 C3' DA F 13 49.321 47.004 -23.875 1.00 44.98 C +ATOM 930 O3' DA F 13 48.046 46.436 -23.524 1.00 46.35 O +ATOM 931 C2' DA F 13 49.338 48.533 -23.993 1.00 35.40 C +ATOM 932 C1' DA F 13 49.751 48.987 -22.598 1.00 38.85 C +ATOM 933 N9 DA F 13 50.387 50.318 -22.455 1.00 38.98 N +ATOM 934 C8 DA F 13 51.613 50.722 -22.895 1.00 40.38 C +ATOM 935 N7 DA F 13 51.899 51.977 -22.596 1.00 42.52 N +ATOM 936 C5 DA F 13 50.785 52.437 -21.920 1.00 40.69 C +ATOM 937 C6 DA F 13 50.474 53.682 -21.298 1.00 37.34 C +ATOM 938 N6 DA F 13 51.265 54.771 -21.281 1.00 31.64 N +ATOM 939 N1 DA F 13 49.295 53.785 -20.671 1.00 36.19 N +ATOM 940 C2 DA F 13 48.483 52.726 -20.664 1.00 31.26 C +ATOM 941 N3 DA F 13 48.648 51.525 -21.195 1.00 36.31 N +ATOM 942 C4 DA F 13 49.837 51.433 -21.821 1.00 42.68 C +ATOM 943 P DT F 12 46.728 46.691 -24.460 1.00 55.00 P +ATOM 944 OP1 DT F 12 45.971 45.420 -24.764 1.00 53.90 O +ATOM 945 OP2 DT F 12 47.107 47.604 -25.590 1.00 52.04 O +ATOM 946 O5' DT F 12 45.732 47.449 -23.461 1.00 55.00 O +ATOM 947 C5' DT F 12 46.145 47.837 -22.120 1.00 55.00 C +ATOM 948 C4' DT F 12 45.278 48.980 -21.632 1.00 52.68 C +ATOM 949 O4' DT F 12 46.029 50.159 -21.256 1.00 49.10 O +ATOM 950 C3' DT F 12 44.387 49.439 -22.765 1.00 51.10 C +ATOM 951 O3' DT F 12 43.335 48.484 -22.774 1.00 45.01 O +ATOM 952 C2' DT F 12 44.076 50.889 -22.424 1.00 46.07 C +ATOM 953 C1' DT F 12 45.256 51.319 -21.546 1.00 47.38 C +ATOM 954 N1 DT F 12 46.145 52.344 -22.134 1.00 52.18 N +ATOM 955 C2 DT F 12 46.130 53.608 -21.549 1.00 50.13 C +ATOM 956 O2 DT F 12 45.438 53.903 -20.582 1.00 51.28 O +ATOM 957 N3 DT F 12 46.956 54.519 -22.132 1.00 46.57 N +ATOM 958 C4 DT F 12 47.789 54.326 -23.192 1.00 55.00 C +ATOM 959 O4 DT F 12 48.458 55.256 -23.575 1.00 55.00 O +ATOM 960 C5 DT F 12 47.783 52.971 -23.769 1.00 55.00 C +ATOM 961 C7 DT F 12 48.680 52.654 -24.930 1.00 50.79 C +ATOM 962 C6 DT F 12 46.960 52.063 -23.214 1.00 54.47 C +ATOM 963 P DA F 11 41.836 48.933 -22.564 1.00 46.55 P +ATOM 964 OP1 DA F 11 41.275 47.776 -21.806 1.00 55.00 O +ATOM 965 OP2 DA F 11 41.274 49.315 -23.894 1.00 39.55 O +ATOM 966 O5' DA F 11 41.856 50.207 -21.604 1.00 48.88 O +ATOM 967 C5' DA F 11 41.417 50.113 -20.250 1.00 42.78 C +ATOM 968 C4' DA F 11 40.939 51.457 -19.738 1.00 35.19 C +ATOM 969 O4' DA F 11 41.801 52.552 -20.135 1.00 29.52 O +ATOM 970 C3' DA F 11 39.522 51.866 -20.110 1.00 23.23 C +ATOM 971 O3' DA F 11 39.007 52.433 -18.920 1.00 21.96 O +ATOM 972 C2' DA F 11 39.746 52.907 -21.207 1.00 33.06 C +ATOM 973 C1' DA F 11 41.085 53.558 -20.853 1.00 34.91 C +ATOM 974 N9 DA F 11 41.957 53.988 -21.964 1.00 40.51 N +ATOM 975 C8 DA F 11 42.041 53.474 -23.229 1.00 40.12 C +ATOM 976 N7 DA F 11 42.957 54.053 -23.979 1.00 33.10 N +ATOM 977 C5 DA F 11 43.511 55.022 -23.157 1.00 32.05 C +ATOM 978 C6 DA F 11 44.559 55.998 -23.355 1.00 30.22 C +ATOM 979 N6 DA F 11 45.285 56.170 -24.469 1.00 32.82 N +ATOM 980 N1 DA F 11 44.841 56.817 -22.320 1.00 37.16 N +ATOM 981 C2 DA F 11 44.136 56.665 -21.167 1.00 40.96 C +ATOM 982 N3 DA F 11 43.164 55.802 -20.872 1.00 38.91 N +ATOM 983 C4 DA F 11 42.894 55.004 -21.914 1.00 34.63 C +ATOM 984 P DT F 10 37.444 52.492 -18.639 1.00 25.31 P +ATOM 985 OP1 DT F 10 37.439 52.255 -17.212 1.00 21.49 O +ATOM 986 OP2 DT F 10 36.623 51.611 -19.507 1.00 24.13 O +ATOM 987 O5' DT F 10 37.177 54.041 -18.904 1.00 29.28 O +ATOM 988 C5' DT F 10 38.141 54.937 -18.368 1.00 27.46 C +ATOM 989 C4' DT F 10 37.919 56.362 -18.795 1.00 23.29 C +ATOM 990 O4' DT F 10 38.799 56.730 -19.866 1.00 30.99 O +ATOM 991 C3' DT F 10 36.546 56.885 -19.166 1.00 29.20 C +ATOM 992 O3' DT F 10 36.486 58.027 -18.260 1.00 28.19 O +ATOM 993 C2' DT F 10 36.656 57.130 -20.684 1.00 26.83 C +ATOM 994 C1' DT F 10 38.122 57.472 -20.906 1.00 27.54 C +ATOM 995 N1 DT F 10 38.894 57.151 -22.187 1.00 38.03 N +ATOM 996 C2 DT F 10 39.951 58.016 -22.554 1.00 41.72 C +ATOM 997 O2 DT F 10 40.216 59.054 -21.967 1.00 43.80 O +ATOM 998 N3 DT F 10 40.686 57.607 -23.641 1.00 38.13 N +ATOM 999 C4 DT F 10 40.495 56.485 -24.393 1.00 27.21 C +ATOM 1000 O4 DT F 10 41.268 56.252 -25.297 1.00 34.86 O +ATOM 1001 C5 DT F 10 39.364 55.656 -24.018 1.00 28.27 C +ATOM 1002 C7 DT F 10 39.060 54.429 -24.814 1.00 28.01 C +ATOM 1003 C6 DT F 10 38.624 56.027 -22.956 1.00 34.11 C +ATOM 1004 P DG F 9 35.672 59.367 -18.605 1.00 19.85 P +ATOM 1005 OP1 DG F 9 35.538 59.937 -17.258 1.00 29.14 O +ATOM 1006 OP2 DG F 9 34.423 59.200 -19.435 1.00 19.55 O +ATOM 1007 O5' DG F 9 36.811 60.228 -19.246 1.00 22.89 O +ATOM 1008 C5' DG F 9 37.757 60.811 -18.379 1.00 29.57 C +ATOM 1009 C4' DG F 9 38.074 62.225 -18.806 1.00 25.07 C +ATOM 1010 O4' DG F 9 38.736 62.193 -20.087 1.00 20.95 O +ATOM 1011 C3' DG F 9 36.879 63.148 -18.993 1.00 23.23 C +ATOM 1012 O3' DG F 9 37.364 64.488 -18.898 1.00 34.69 O +ATOM 1013 C2' DG F 9 36.502 62.869 -20.419 1.00 21.51 C +ATOM 1014 C1' DG F 9 37.871 62.686 -21.036 1.00 21.86 C +ATOM 1015 N9 DG F 9 37.826 61.772 -22.142 1.00 22.16 N +ATOM 1016 C8 DG F 9 37.060 60.675 -22.294 1.00 18.22 C +ATOM 1017 N7 DG F 9 37.229 60.095 -23.444 1.00 29.66 N +ATOM 1018 C5 DG F 9 38.179 60.875 -24.077 1.00 32.74 C +ATOM 1019 C6 DG F 9 38.746 60.773 -25.351 1.00 36.61 C +ATOM 1020 O6 DG F 9 38.503 59.939 -26.236 1.00 37.57 O +ATOM 1021 N1 DG F 9 39.686 61.780 -25.580 1.00 33.84 N +ATOM 1022 C2 DG F 9 40.027 62.770 -24.680 1.00 39.28 C +ATOM 1023 N2 DG F 9 40.984 63.670 -25.035 1.00 37.76 N +ATOM 1024 N3 DG F 9 39.474 62.877 -23.500 1.00 37.04 N +ATOM 1025 C4 DG F 9 38.566 61.899 -23.271 1.00 33.89 C +ATOM 1026 P DT F 8 36.400 65.721 -19.210 1.00 36.67 P +ATOM 1027 OP1 DT F 8 36.894 66.806 -18.292 1.00 36.61 O +ATOM 1028 OP2 DT F 8 34.989 65.228 -19.094 1.00 27.67 O +ATOM 1029 O5' DT F 8 36.698 66.089 -20.755 1.00 39.41 O +ATOM 1030 C5' DT F 8 38.050 66.099 -21.274 1.00 39.26 C +ATOM 1031 C4' DT F 8 38.192 67.018 -22.471 1.00 33.08 C +ATOM 1032 O4' DT F 8 38.414 66.244 -23.683 1.00 31.25 O +ATOM 1033 C3' DT F 8 36.968 67.883 -22.727 1.00 32.96 C +ATOM 1034 O3' DT F 8 37.319 69.115 -23.352 1.00 34.95 O +ATOM 1035 C2' DT F 8 36.193 67.060 -23.714 1.00 32.42 C +ATOM 1036 C1' DT F 8 37.288 66.371 -24.525 1.00 33.16 C +ATOM 1037 N1 DT F 8 36.805 65.033 -24.971 1.00 28.95 N +ATOM 1038 C2 DT F 8 37.477 64.342 -25.924 1.00 29.83 C +ATOM 1039 O2 DT F 8 38.498 64.732 -26.403 1.00 40.47 O +ATOM 1040 N3 DT F 8 36.910 63.171 -26.298 1.00 28.22 N +ATOM 1041 C4 DT F 8 35.758 62.623 -25.816 1.00 26.31 C +ATOM 1042 O4 DT F 8 35.362 61.579 -26.263 1.00 33.65 O +ATOM 1043 C5 DT F 8 35.100 63.369 -24.793 1.00 28.16 C +ATOM 1044 C7 DT F 8 33.830 62.824 -24.188 1.00 24.72 C +ATOM 1045 C6 DT F 8 35.652 64.527 -24.420 1.00 27.42 C +ATOM 1046 P DC F 7 36.433 70.448 -23.065 1.00 41.78 P +ATOM 1047 OP1 DC F 7 37.409 71.404 -22.521 1.00 42.03 O +ATOM 1048 OP2 DC F 7 35.115 70.273 -22.361 1.00 33.42 O +ATOM 1049 O5' DC F 7 36.070 70.940 -24.525 1.00 36.89 O +ATOM 1050 C5' DC F 7 37.074 71.156 -25.522 1.00 28.88 C +ATOM 1051 C4' DC F 7 36.363 71.298 -26.830 1.00 30.64 C +ATOM 1052 O4' DC F 7 36.028 69.937 -27.246 1.00 25.93 O +ATOM 1053 C3' DC F 7 35.039 72.004 -26.488 1.00 38.23 C +ATOM 1054 O3' DC F 7 34.697 73.146 -27.282 1.00 43.55 O +ATOM 1055 C2' DC F 7 33.981 70.932 -26.586 1.00 38.97 C +ATOM 1056 C1' DC F 7 34.618 69.853 -27.453 1.00 40.17 C +ATOM 1057 N1 DC F 7 34.074 68.496 -27.113 1.00 38.99 N +ATOM 1058 C2 DC F 7 34.634 67.312 -27.657 1.00 39.07 C +ATOM 1059 O2 DC F 7 35.623 67.386 -28.434 1.00 45.21 O +ATOM 1060 N3 DC F 7 34.066 66.115 -27.324 1.00 27.67 N +ATOM 1061 C4 DC F 7 33.017 66.081 -26.524 1.00 29.36 C +ATOM 1062 N4 DC F 7 32.503 64.931 -26.254 1.00 28.91 N +ATOM 1063 C5 DC F 7 32.447 67.243 -25.967 1.00 40.15 C +ATOM 1064 C6 DC F 7 32.994 68.410 -26.273 1.00 40.85 C +ATOM 1065 P DA F 6 33.414 74.059 -26.862 1.00 53.93 P +ATOM 1066 OP1 DA F 6 34.057 75.392 -26.618 1.00 55.00 O +ATOM 1067 OP2 DA F 6 32.496 73.443 -25.823 1.00 39.57 O +ATOM 1068 O5' DA F 6 32.554 74.101 -28.196 1.00 46.92 O +ATOM 1069 C5' DA F 6 33.167 73.698 -29.403 1.00 42.42 C +ATOM 1070 C4' DA F 6 32.126 73.396 -30.447 1.00 50.70 C +ATOM 1071 O4' DA F 6 31.749 72.009 -30.415 1.00 49.45 O +ATOM 1072 C3' DA F 6 30.829 74.166 -30.296 1.00 47.93 C +ATOM 1073 O3' DA F 6 30.318 74.255 -31.642 1.00 53.68 O +ATOM 1074 C2' DA F 6 30.033 73.228 -29.398 1.00 47.48 C +ATOM 1075 C1' DA F 6 30.399 71.884 -29.994 1.00 53.11 C +ATOM 1076 N9 DA F 6 30.361 70.722 -29.116 1.00 51.97 N +ATOM 1077 C8 DA F 6 30.682 70.603 -27.790 1.00 42.75 C +ATOM 1078 N7 DA F 6 30.560 69.386 -27.331 1.00 47.98 N +ATOM 1079 C5 DA F 6 30.124 68.657 -28.434 1.00 53.16 C +ATOM 1080 C6 DA F 6 29.817 67.295 -28.615 1.00 55.00 C +ATOM 1081 N6 DA F 6 29.913 66.396 -27.634 1.00 55.00 N +ATOM 1082 N1 DA F 6 29.407 66.886 -29.851 1.00 52.93 N +ATOM 1083 C2 DA F 6 29.322 67.794 -30.821 1.00 44.78 C +ATOM 1084 N3 DA F 6 29.590 69.102 -30.771 1.00 54.97 N +ATOM 1085 C4 DA F 6 29.990 69.469 -29.533 1.00 53.44 C +ATOM 1086 P DC F 5 29.468 75.536 -32.143 1.00 46.67 P +ATOM 1087 OP1 DC F 5 30.257 75.987 -33.325 1.00 50.45 O +ATOM 1088 OP2 DC F 5 29.119 76.521 -31.047 1.00 49.02 O +ATOM 1089 O5' DC F 5 28.130 74.833 -32.651 1.00 41.87 O +ATOM 1090 C5' DC F 5 28.210 73.631 -33.429 1.00 45.32 C +ATOM 1091 C4' DC F 5 26.855 72.979 -33.548 1.00 42.97 C +ATOM 1092 O4' DC F 5 26.819 71.829 -32.685 1.00 49.20 O +ATOM 1093 C3' DC F 5 25.672 73.850 -33.143 1.00 42.69 C +ATOM 1094 O3' DC F 5 24.552 73.544 -34.010 1.00 50.45 O +ATOM 1095 C2' DC F 5 25.412 73.420 -31.696 1.00 44.72 C +ATOM 1096 C1' DC F 5 25.736 71.926 -31.738 1.00 50.94 C +ATOM 1097 N1 DC F 5 26.172 71.245 -30.469 1.00 46.13 N +ATOM 1098 C2 DC F 5 26.309 69.818 -30.451 1.00 51.37 C +ATOM 1099 O2 DC F 5 26.042 69.165 -31.466 1.00 53.46 O +ATOM 1100 N3 DC F 5 26.727 69.192 -29.320 1.00 54.36 N +ATOM 1101 C4 DC F 5 27.000 69.907 -28.228 1.00 54.99 C +ATOM 1102 N4 DC F 5 27.414 69.243 -27.139 1.00 46.19 N +ATOM 1103 C5 DC F 5 26.863 71.338 -28.204 1.00 52.13 C +ATOM 1104 C6 DC F 5 26.449 71.958 -29.335 1.00 49.39 C +ATOM 1105 P DA F 4 24.433 74.190 -35.511 1.00 45.95 P +ATOM 1106 OP1 DA F 4 25.683 74.053 -36.303 1.00 34.48 O +ATOM 1107 OP2 DA F 4 23.812 75.534 -35.333 1.00 39.41 O +ATOM 1108 O5' DA F 4 23.388 73.213 -36.229 1.00 42.50 O +ATOM 1109 C5' DA F 4 23.835 72.267 -37.213 1.00 38.52 C +ATOM 1110 C4' DA F 4 23.231 70.892 -36.991 1.00 35.99 C +ATOM 1111 O4' DA F 4 23.530 70.482 -35.643 1.00 37.73 O +ATOM 1112 C3' DA F 4 21.723 70.673 -37.200 1.00 35.99 C +ATOM 1113 O3' DA F 4 21.567 69.482 -38.026 1.00 35.44 O +ATOM 1114 C2' DA F 4 21.180 70.516 -35.785 1.00 33.37 C +ATOM 1115 C1' DA F 4 22.375 70.004 -34.966 1.00 38.01 C +ATOM 1116 N9 DA F 4 22.524 70.426 -33.556 1.00 38.99 N +ATOM 1117 C8 DA F 4 22.369 71.682 -33.021 1.00 43.06 C +ATOM 1118 N7 DA F 4 22.607 71.748 -31.718 1.00 42.94 N +ATOM 1119 C5 DA F 4 22.936 70.456 -31.370 1.00 44.85 C +ATOM 1120 C6 DA F 4 23.314 69.859 -30.120 1.00 47.21 C +ATOM 1121 N6 DA F 4 23.425 70.512 -28.951 1.00 39.79 N +ATOM 1122 N1 DA F 4 23.580 68.533 -30.121 1.00 47.12 N +ATOM 1123 C2 DA F 4 23.469 67.861 -31.305 1.00 47.74 C +ATOM 1124 N3 DA F 4 23.130 68.307 -32.522 1.00 40.17 N +ATOM 1125 C4 DA F 4 22.878 69.620 -32.491 1.00 44.31 C +ATOM 1126 P DC F 3 20.095 68.958 -38.513 1.00 47.89 P +ATOM 1127 OP1 DC F 3 20.241 68.290 -39.818 1.00 36.78 O +ATOM 1128 OP2 DC F 3 19.014 69.985 -38.333 1.00 39.32 O +ATOM 1129 O5' DC F 3 19.816 67.764 -37.506 1.00 45.40 O +ATOM 1130 C5' DC F 3 20.904 67.079 -36.902 1.00 41.57 C +ATOM 1131 C4' DC F 3 20.377 66.265 -35.761 1.00 39.86 C +ATOM 1132 O4' DC F 3 20.571 67.009 -34.539 1.00 38.80 O +ATOM 1133 C3' DC F 3 18.867 66.061 -35.924 1.00 38.18 C +ATOM 1134 O3' DC F 3 18.538 64.677 -35.799 1.00 41.93 O +ATOM 1135 C2' DC F 3 18.252 66.909 -34.824 1.00 34.44 C +ATOM 1136 C1' DC F 3 19.360 66.955 -33.780 1.00 44.33 C +ATOM 1137 N1 DC F 3 19.335 68.103 -32.828 1.00 44.31 N +ATOM 1138 C2 DC F 3 19.130 67.874 -31.472 1.00 36.70 C +ATOM 1139 O2 DC F 3 18.968 66.738 -31.036 1.00 32.60 O +ATOM 1140 N3 DC F 3 19.122 68.905 -30.647 1.00 37.26 N +ATOM 1141 C4 DC F 3 19.315 70.137 -31.089 1.00 35.75 C +ATOM 1142 N4 DC F 3 19.324 71.093 -30.184 1.00 38.64 N +ATOM 1143 C5 DC F 3 19.512 70.419 -32.437 1.00 37.10 C +ATOM 1144 C6 DC F 3 19.516 69.381 -33.275 1.00 46.31 C +ATOM 1145 P DT F 2 16.998 64.236 -35.654 1.00 50.71 P +ATOM 1146 OP1 DT F 2 16.766 62.963 -36.394 1.00 53.39 O +ATOM 1147 OP2 DT F 2 16.169 65.423 -35.958 1.00 48.71 O +ATOM 1148 O5' DT F 2 16.793 63.922 -34.088 1.00 55.00 O +ATOM 1149 C5' DT F 2 17.625 62.959 -33.412 1.00 45.84 C +ATOM 1150 C4' DT F 2 17.117 62.673 -32.016 1.00 42.40 C +ATOM 1151 O4' DT F 2 17.342 63.812 -31.161 1.00 41.36 O +ATOM 1152 C3' DT F 2 15.640 62.293 -31.869 1.00 43.22 C +ATOM 1153 O3' DT F 2 15.595 61.140 -30.989 1.00 31.01 O +ATOM 1154 C2' DT F 2 15.006 63.560 -31.304 1.00 37.22 C +ATOM 1155 C1' DT F 2 16.144 64.164 -30.494 1.00 42.95 C +ATOM 1156 N1 DT F 2 16.141 65.626 -30.366 1.00 40.49 N +ATOM 1157 C2 DT F 2 16.151 66.163 -29.115 1.00 43.06 C +ATOM 1158 O2 DT F 2 16.173 65.484 -28.112 1.00 47.23 O +ATOM 1159 N3 DT F 2 16.142 67.531 -29.071 1.00 46.85 N +ATOM 1160 C4 DT F 2 16.132 68.391 -30.137 1.00 48.20 C +ATOM 1161 O4 DT F 2 16.113 69.595 -29.945 1.00 43.15 O +ATOM 1162 C5 DT F 2 16.141 67.755 -31.433 1.00 48.16 C +ATOM 1163 C7 DT F 2 16.164 68.603 -32.665 1.00 53.06 C +ATOM 1164 C6 DT F 2 16.134 66.420 -31.478 1.00 43.85 C +ATOM 1165 P DT F 1 14.211 60.367 -30.683 1.00 37.37 P +ATOM 1166 OP1 DT F 1 14.670 58.976 -30.506 1.00 37.79 O +ATOM 1167 OP2 DT F 1 13.087 60.673 -31.585 1.00 41.13 O +ATOM 1168 O5' DT F 1 13.816 60.894 -29.251 1.00 39.30 O +ATOM 1169 C5' DT F 1 14.780 60.741 -28.217 1.00 44.59 C +ATOM 1170 C4' DT F 1 14.428 61.566 -27.007 1.00 43.29 C +ATOM 1171 O4' DT F 1 14.473 62.950 -27.389 1.00 40.87 O +ATOM 1172 C3' DT F 1 13.051 61.303 -26.387 1.00 35.48 C +ATOM 1173 O3' DT F 1 13.270 60.727 -25.087 1.00 27.20 O +ATOM 1174 C2' DT F 1 12.371 62.674 -26.395 1.00 38.90 C +ATOM 1175 C1' DT F 1 13.505 63.655 -26.648 1.00 39.45 C +ATOM 1176 N1 DT F 1 13.227 64.908 -27.390 1.00 45.13 N +ATOM 1177 C2 DT F 1 12.983 66.063 -26.645 1.00 47.04 C +ATOM 1178 O2 DT F 1 12.954 66.077 -25.422 1.00 45.09 O +ATOM 1179 N3 DT F 1 12.777 67.215 -27.393 1.00 48.66 N +ATOM 1180 C4 DT F 1 12.788 67.338 -28.778 1.00 45.61 C +ATOM 1181 O4 DT F 1 12.612 68.462 -29.282 1.00 42.66 O +ATOM 1182 C5 DT F 1 13.029 66.055 -29.519 1.00 46.36 C +ATOM 1183 C7 DT F 1 13.038 66.047 -31.023 1.00 32.80 C +ATOM 1184 C6 DT F 1 13.230 64.933 -28.786 1.00 42.10 C +ATOM 1185 P DT F -1 12.041 60.373 -24.103 1.00 29.86 P +ATOM 1186 OP1 DT F -1 12.653 59.369 -23.228 1.00 32.32 O +ATOM 1187 OP2 DT F -1 10.742 60.052 -24.723 1.00 26.97 O +ATOM 1188 O5' DT F -1 11.836 61.724 -23.286 1.00 29.26 O +ATOM 1189 C5' DT F -1 12.940 62.296 -22.597 1.00 26.87 C +ATOM 1190 C4' DT F -1 12.530 63.513 -21.795 1.00 34.36 C +ATOM 1191 O4' DT F -1 12.483 64.727 -22.577 1.00 33.07 O +ATOM 1192 C3' DT F -1 11.238 63.454 -20.975 1.00 25.90 C +ATOM 1193 O3' DT F -1 11.638 63.910 -19.689 1.00 29.62 O +ATOM 1194 C2' DT F -1 10.336 64.462 -21.654 1.00 26.94 C +ATOM 1195 C1' DT F -1 11.327 65.492 -22.217 1.00 37.00 C +ATOM 1196 N1 DT F -1 10.823 66.158 -23.458 1.00 39.62 N +ATOM 1197 C2 DT F -1 10.977 67.524 -23.720 1.00 31.97 C +ATOM 1198 O2 DT F -1 11.529 68.329 -23.004 1.00 23.30 O +ATOM 1199 N3 DT F -1 10.440 67.908 -24.903 1.00 38.09 N +ATOM 1200 C4 DT F -1 9.791 67.126 -25.835 1.00 36.94 C +ATOM 1201 O4 DT F -1 9.379 67.645 -26.859 1.00 43.13 O +ATOM 1202 C5 DT F -1 9.666 65.742 -25.503 1.00 33.31 C +ATOM 1203 C7 DT F -1 8.969 64.811 -26.435 1.00 33.24 C +ATOM 1204 C6 DT F -1 10.180 65.338 -24.359 1.00 39.53 C +ATOM 1205 P DT F -2 10.635 63.887 -18.449 1.00 33.08 P +ATOM 1206 OP1 DT F -2 11.466 63.544 -17.268 1.00 35.70 O +ATOM 1207 OP2 DT F -2 9.448 63.059 -18.777 1.00 22.39 O +ATOM 1208 O5' DT F -2 10.324 65.440 -18.320 1.00 39.52 O +ATOM 1209 C5' DT F -2 11.407 66.369 -18.330 1.00 37.29 C +ATOM 1210 C4' DT F -2 10.894 67.779 -18.480 1.00 38.91 C +ATOM 1211 O4' DT F -2 10.477 68.026 -19.835 1.00 37.89 O +ATOM 1212 C3' DT F -2 9.705 68.158 -17.602 1.00 35.31 C +ATOM 1213 O3' DT F -2 10.103 69.353 -16.945 1.00 37.19 O +ATOM 1214 C2' DT F -2 8.556 68.387 -18.593 1.00 32.70 C +ATOM 1215 C1' DT F -2 9.260 68.790 -19.870 1.00 29.02 C +ATOM 1216 N1 DT F -2 8.613 68.484 -21.196 1.00 33.93 N +ATOM 1217 C2 DT F -2 8.593 69.436 -22.228 1.00 26.19 C +ATOM 1218 O2 DT F -2 9.008 70.557 -22.115 1.00 19.70 O +ATOM 1219 N3 DT F -2 8.041 68.994 -23.399 1.00 28.92 N +ATOM 1220 C4 DT F -2 7.494 67.749 -23.642 1.00 35.65 C +ATOM 1221 O4 DT F -2 7.040 67.503 -24.734 1.00 36.13 O +ATOM 1222 C5 DT F -2 7.518 66.826 -22.522 1.00 39.74 C +ATOM 1223 C7 DT F -2 6.937 65.459 -22.670 1.00 41.57 C +ATOM 1224 C6 DT F -2 8.067 67.234 -21.381 1.00 40.75 C +ATOM 1225 P DC F -3 9.409 69.808 -15.583 1.00 39.34 P +ATOM 1226 OP1 DC F -3 10.513 70.651 -15.056 1.00 35.77 O +ATOM 1227 OP2 DC F -3 8.834 68.721 -14.741 1.00 37.47 O +ATOM 1228 O5' DC F -3 8.205 70.704 -16.113 1.00 41.02 O +ATOM 1229 C5' DC F -3 8.456 71.848 -16.926 1.00 42.31 C +ATOM 1230 C4' DC F -3 7.165 72.565 -17.188 1.00 40.83 C +ATOM 1231 O4' DC F -3 6.615 71.941 -18.376 1.00 45.26 O +ATOM 1232 C3' DC F -3 6.163 72.309 -16.059 1.00 44.39 C +ATOM 1233 O3' DC F -3 5.201 73.377 -15.861 1.00 50.43 O +ATOM 1234 C2' DC F -3 5.394 71.111 -16.600 1.00 48.55 C +ATOM 1235 C1' DC F -3 5.306 71.474 -18.084 1.00 44.37 C +ATOM 1236 N1 DC F -3 4.941 70.361 -19.023 1.00 45.60 N +ATOM 1237 C2 DC F -3 4.582 70.630 -20.387 1.00 40.09 C +ATOM 1238 O2 DC F -3 4.556 71.800 -20.817 1.00 41.42 O +ATOM 1239 N3 DC F -3 4.266 69.590 -21.190 1.00 40.43 N +ATOM 1240 C4 DC F -3 4.284 68.349 -20.717 1.00 36.71 C +ATOM 1241 N4 DC F -3 3.971 67.366 -21.539 1.00 43.96 N +ATOM 1242 C5 DC F -3 4.626 68.055 -19.382 1.00 42.37 C +ATOM 1243 C6 DC F -3 4.945 69.071 -18.575 1.00 45.70 C +ATOM 1244 P DG F -4 5.671 74.894 -15.672 1.00 43.19 P +ATOM 1245 OP1 DG F -4 6.963 75.115 -16.350 1.00 40.81 O +ATOM 1246 OP2 DG F -4 5.511 75.198 -14.236 1.00 39.21 O +ATOM 1247 O5' DG F -4 4.607 75.755 -16.475 1.00 38.47 O +ATOM 1248 C5' DG F -4 5.040 76.541 -17.577 1.00 43.61 C +ATOM 1249 C4' DG F -4 3.874 76.885 -18.474 1.00 38.71 C +ATOM 1250 O4' DG F -4 3.402 75.699 -19.149 1.00 44.69 O +ATOM 1251 C3' DG F -4 2.662 77.369 -17.700 1.00 37.32 C +ATOM 1252 O3' DG F -4 1.877 77.912 -18.773 1.00 24.26 O +ATOM 1253 C2' DG F -4 2.082 76.041 -17.251 1.00 37.46 C +ATOM 1254 C1' DG F -4 2.116 75.375 -18.604 1.00 41.04 C +ATOM 1255 N9 DG F -4 1.925 73.926 -18.685 1.00 40.79 N +ATOM 1256 C8 DG F -4 2.100 72.965 -17.731 1.00 36.59 C +ATOM 1257 N7 DG F -4 1.858 71.766 -18.176 1.00 36.33 N +ATOM 1258 C5 DG F -4 1.494 71.953 -19.497 1.00 41.94 C +ATOM 1259 C6 DG F -4 1.145 71.023 -20.505 1.00 45.23 C +ATOM 1260 O6 DG F -4 1.038 69.800 -20.420 1.00 51.56 O +ATOM 1261 N1 DG F -4 0.898 71.652 -21.726 1.00 44.14 N +ATOM 1262 C2 DG F -4 0.961 73.005 -21.946 1.00 44.21 C +ATOM 1263 N2 DG F -4 0.703 73.449 -23.193 1.00 43.56 N +ATOM 1264 N3 DG F -4 1.263 73.871 -21.012 1.00 48.86 N +ATOM 1265 C4 DG F -4 1.523 73.279 -19.822 1.00 43.52 C +TER 1266 DG F -4 +ATOM 1267 N PRO A 9 2.133 51.592 15.835 1.00 51.36 N +ATOM 1268 CA PRO A 9 3.600 51.747 16.013 1.00 51.53 C +ATOM 1269 C PRO A 9 3.942 53.171 16.474 1.00 47.65 C +ATOM 1270 O PRO A 9 3.141 54.090 16.286 1.00 45.67 O +ATOM 1271 CB PRO A 9 4.208 51.395 14.660 1.00 53.62 C +ATOM 1272 CG PRO A 9 3.317 50.225 14.266 1.00 46.46 C +ATOM 1273 CD PRO A 9 1.908 50.764 14.615 1.00 51.33 C +ATOM 1274 N THR A 10 5.127 53.369 17.041 1.00 46.94 N +ATOM 1275 CA THR A 10 5.474 54.683 17.538 1.00 45.64 C +ATOM 1276 C THR A 10 6.099 55.589 16.500 1.00 47.57 C +ATOM 1277 O THR A 10 6.521 56.700 16.842 1.00 50.08 O +ATOM 1278 CB THR A 10 6.426 54.574 18.733 1.00 44.04 C +ATOM 1279 OG1 THR A 10 7.592 53.820 18.382 1.00 49.75 O +ATOM 1280 CG2 THR A 10 5.694 53.904 19.886 1.00 50.67 C +ATOM 1281 N LEU A 11 6.175 55.148 15.243 1.00 46.46 N +ATOM 1282 CA LEU A 11 6.693 56.060 14.236 1.00 45.92 C +ATOM 1283 C LEU A 11 5.674 57.172 14.210 1.00 48.19 C +ATOM 1284 O LEU A 11 6.018 58.334 14.108 1.00 53.63 O +ATOM 1285 CB LEU A 11 6.748 55.448 12.848 1.00 40.81 C +ATOM 1286 CG LEU A 11 7.149 53.988 12.770 1.00 49.49 C +ATOM 1287 CD1 LEU A 11 5.858 53.214 12.714 1.00 48.62 C +ATOM 1288 CD2 LEU A 11 7.965 53.656 11.529 1.00 41.29 C +ATOM 1289 N GLU A 12 4.400 56.798 14.329 1.00 50.85 N +ATOM 1290 CA GLU A 12 3.323 57.779 14.333 1.00 49.39 C +ATOM 1291 C GLU A 12 3.464 58.617 15.594 1.00 48.42 C +ATOM 1292 O GLU A 12 3.225 59.827 15.559 1.00 49.37 O +ATOM 1293 CB GLU A 12 1.938 57.119 14.341 1.00 45.68 C +ATOM 1294 CG GLU A 12 1.673 56.066 13.283 1.00 50.07 C +ATOM 1295 CD GLU A 12 2.090 54.670 13.730 1.00 53.41 C +ATOM 1296 OE1 GLU A 12 1.184 53.844 14.003 1.00 55.00 O +ATOM 1297 OE2 GLU A 12 3.310 54.397 13.809 1.00 44.63 O +ATOM 1298 N TRP A 13 3.839 57.968 16.704 1.00 45.38 N +ATOM 1299 CA TRP A 13 4.074 58.684 17.957 1.00 43.86 C +ATOM 1300 C TRP A 13 5.007 59.848 17.597 1.00 45.13 C +ATOM 1301 O TRP A 13 4.818 61.022 17.981 1.00 39.27 O +ATOM 1302 CB TRP A 13 4.753 57.763 18.998 1.00 39.96 C +ATOM 1303 CG TRP A 13 5.078 58.541 20.211 1.00 36.61 C +ATOM 1304 CD1 TRP A 13 4.186 59.088 21.082 1.00 29.86 C +ATOM 1305 CD2 TRP A 13 6.380 58.964 20.640 1.00 32.23 C +ATOM 1306 NE1 TRP A 13 4.851 59.837 22.007 1.00 36.47 N +ATOM 1307 CE2 TRP A 13 6.199 59.778 21.758 1.00 33.72 C +ATOM 1308 CE3 TRP A 13 7.681 58.740 20.173 1.00 36.93 C +ATOM 1309 CZ2 TRP A 13 7.274 60.372 22.430 1.00 38.16 C +ATOM 1310 CZ3 TRP A 13 8.750 59.329 20.837 1.00 34.21 C +ATOM 1311 CH2 TRP A 13 8.538 60.134 21.948 1.00 37.51 C +ATOM 1312 N PHE A 14 6.008 59.469 16.811 1.00 45.34 N +ATOM 1313 CA PHE A 14 7.007 60.371 16.256 1.00 46.89 C +ATOM 1314 C PHE A 14 6.349 61.489 15.381 1.00 43.87 C +ATOM 1315 O PHE A 14 6.315 62.645 15.809 1.00 42.96 O +ATOM 1316 CB PHE A 14 8.006 59.501 15.447 1.00 43.26 C +ATOM 1317 CG PHE A 14 8.946 60.270 14.577 1.00 37.28 C +ATOM 1318 CD1 PHE A 14 10.274 60.392 14.922 1.00 33.31 C +ATOM 1319 CD2 PHE A 14 8.497 60.868 13.413 1.00 34.21 C +ATOM 1320 CE1 PHE A 14 11.139 61.105 14.117 1.00 35.28 C +ATOM 1321 CE2 PHE A 14 9.363 61.582 12.610 1.00 36.36 C +ATOM 1322 CZ PHE A 14 10.688 61.701 12.967 1.00 28.58 C +ATOM 1323 N LEU A 15 5.818 61.161 14.197 1.00 36.46 N +ATOM 1324 CA LEU A 15 5.219 62.180 13.324 1.00 40.53 C +ATOM 1325 C LEU A 15 4.239 63.082 14.101 1.00 39.50 C +ATOM 1326 O LEU A 15 4.209 64.303 13.927 1.00 35.01 O +ATOM 1327 CB LEU A 15 4.453 61.535 12.142 1.00 38.33 C +ATOM 1328 CG LEU A 15 5.128 61.048 10.828 1.00 39.33 C +ATOM 1329 CD1 LEU A 15 6.073 59.848 11.004 1.00 34.09 C +ATOM 1330 CD2 LEU A 15 3.956 60.627 9.910 1.00 30.00 C +ATOM 1331 N SER A 16 3.448 62.505 14.987 1.00 39.44 N +ATOM 1332 CA SER A 16 2.518 63.328 15.727 1.00 41.31 C +ATOM 1333 C SER A 16 3.234 64.413 16.568 1.00 39.87 C +ATOM 1334 O SER A 16 2.585 65.272 17.150 1.00 45.16 O +ATOM 1335 CB SER A 16 1.662 62.395 16.601 1.00 46.58 C +ATOM 1336 OG SER A 16 2.422 61.481 17.397 1.00 49.64 O +ATOM 1337 N HIS A 17 4.567 64.357 16.612 1.00 39.83 N +ATOM 1338 CA HIS A 17 5.494 65.281 17.319 1.00 40.97 C +ATOM 1339 C HIS A 17 6.246 66.135 16.299 1.00 41.79 C +ATOM 1340 O HIS A 17 6.967 67.087 16.627 1.00 35.53 O +ATOM 1341 CB HIS A 17 6.595 64.549 18.101 1.00 50.69 C +ATOM 1342 CG HIS A 17 6.293 64.266 19.539 1.00 48.46 C +ATOM 1343 ND1 HIS A 17 6.935 64.927 20.565 1.00 44.43 N +ATOM 1344 CD2 HIS A 17 5.466 63.368 20.124 1.00 43.77 C +ATOM 1345 CE1 HIS A 17 6.520 64.445 21.724 1.00 51.84 C +ATOM 1346 NE2 HIS A 17 5.630 63.498 21.484 1.00 48.72 N +ATOM 1347 N CYS A 18 6.161 65.677 15.068 1.00 40.25 N +ATOM 1348 CA CYS A 18 6.811 66.297 13.953 1.00 42.07 C +ATOM 1349 C CYS A 18 5.923 67.302 13.279 1.00 45.28 C +ATOM 1350 O CYS A 18 4.756 67.489 13.635 1.00 47.68 O +ATOM 1351 CB CYS A 18 7.204 65.250 12.944 1.00 35.09 C +ATOM 1352 SG CYS A 18 8.937 65.027 12.939 1.00 43.22 S +ATOM 1353 N HIS A 19 6.508 67.928 12.268 1.00 48.59 N +ATOM 1354 CA HIS A 19 5.824 68.896 11.447 1.00 48.73 C +ATOM 1355 C HIS A 19 6.272 68.764 9.993 1.00 46.16 C +ATOM 1356 O HIS A 19 7.434 69.021 9.612 1.00 34.73 O +ATOM 1357 CB HIS A 19 6.095 70.312 11.978 1.00 50.30 C +ATOM 1358 CG HIS A 19 7.468 70.517 12.543 1.00 53.51 C +ATOM 1359 ND1 HIS A 19 8.552 70.886 11.773 1.00 55.00 N +ATOM 1360 CD2 HIS A 19 7.919 70.438 13.819 1.00 50.77 C +ATOM 1361 CE1 HIS A 19 9.611 71.032 12.556 1.00 52.85 C +ATOM 1362 NE2 HIS A 19 9.254 70.765 13.798 1.00 48.71 N +ATOM 1363 N ILE A 20 5.290 68.311 9.220 1.00 37.32 N +ATOM 1364 CA ILE A 20 5.394 68.061 7.795 1.00 39.29 C +ATOM 1365 C ILE A 20 5.763 69.335 7.001 1.00 41.39 C +ATOM 1366 O ILE A 20 5.781 70.441 7.549 1.00 37.73 O +ATOM 1367 CB ILE A 20 4.026 67.474 7.300 1.00 34.82 C +ATOM 1368 CG1 ILE A 20 3.897 66.043 7.802 1.00 31.81 C +ATOM 1369 CG2 ILE A 20 3.923 67.486 5.809 1.00 30.47 C +ATOM 1370 CD1 ILE A 20 3.842 65.955 9.295 1.00 34.02 C +ATOM 1371 N HIS A 21 6.095 69.137 5.726 1.00 43.94 N +ATOM 1372 CA HIS A 21 6.392 70.178 4.740 1.00 46.40 C +ATOM 1373 C HIS A 21 6.383 69.559 3.345 1.00 43.38 C +ATOM 1374 O HIS A 21 6.986 68.518 3.103 1.00 48.89 O +ATOM 1375 CB HIS A 21 7.764 70.824 4.993 1.00 41.60 C +ATOM 1376 CG HIS A 21 7.742 71.921 6.017 1.00 47.02 C +ATOM 1377 ND1 HIS A 21 6.572 72.492 6.475 1.00 55.00 N +ATOM 1378 CD2 HIS A 21 8.746 72.571 6.650 1.00 51.14 C +ATOM 1379 CE1 HIS A 21 6.854 73.448 7.342 1.00 53.19 C +ATOM 1380 NE2 HIS A 21 8.167 73.515 7.467 1.00 55.00 N +ATOM 1381 N LYS A 22 5.636 70.198 2.454 1.00 42.96 N +ATOM 1382 CA LYS A 22 5.471 69.786 1.065 1.00 41.60 C +ATOM 1383 C LYS A 22 6.516 70.492 0.188 1.00 40.47 C +ATOM 1384 O LYS A 22 6.629 71.729 0.228 1.00 39.52 O +ATOM 1385 CB LYS A 22 4.061 70.155 0.609 1.00 45.46 C +ATOM 1386 CG LYS A 22 3.714 69.847 -0.848 1.00 46.46 C +ATOM 1387 CD LYS A 22 2.393 70.536 -1.238 1.00 45.44 C +ATOM 1388 CE LYS A 22 2.526 72.064 -1.438 1.00 44.76 C +ATOM 1389 NZ LYS A 22 1.169 72.693 -1.504 1.00 48.13 N +ATOM 1390 N TYR A 23 7.281 69.698 -0.566 1.00 32.15 N +ATOM 1391 CA TYR A 23 8.305 70.188 -1.475 1.00 26.93 C +ATOM 1392 C TYR A 23 7.986 69.795 -2.898 1.00 29.40 C +ATOM 1393 O TYR A 23 7.261 68.849 -3.110 1.00 40.19 O +ATOM 1394 CB TYR A 23 9.636 69.600 -1.147 1.00 35.11 C +ATOM 1395 CG TYR A 23 10.246 70.141 0.081 1.00 46.49 C +ATOM 1396 CD1 TYR A 23 10.549 69.297 1.133 1.00 48.26 C +ATOM 1397 CD2 TYR A 23 10.575 71.487 0.178 1.00 41.35 C +ATOM 1398 CE1 TYR A 23 11.173 69.768 2.253 1.00 47.73 C +ATOM 1399 CE2 TYR A 23 11.198 71.970 1.293 1.00 45.86 C +ATOM 1400 CZ TYR A 23 11.499 71.100 2.328 1.00 45.09 C +ATOM 1401 OH TYR A 23 12.158 71.538 3.447 1.00 54.73 O +ATOM 1402 N PRO A 24 8.519 70.505 -3.892 1.00 28.77 N +ATOM 1403 CA PRO A 24 8.359 70.105 -5.284 1.00 32.12 C +ATOM 1404 C PRO A 24 9.661 69.524 -5.850 1.00 37.05 C +ATOM 1405 O PRO A 24 10.722 69.687 -5.251 1.00 35.29 O +ATOM 1406 CB PRO A 24 7.907 71.396 -5.955 1.00 29.14 C +ATOM 1407 CG PRO A 24 7.927 72.443 -4.811 1.00 25.38 C +ATOM 1408 CD PRO A 24 8.971 71.906 -3.896 1.00 34.82 C +ATOM 1409 N SER A 25 9.580 68.888 -7.023 1.00 35.44 N +ATOM 1410 CA SER A 25 10.746 68.289 -7.690 1.00 36.35 C +ATOM 1411 C SER A 25 11.931 69.226 -7.728 1.00 34.98 C +ATOM 1412 O SER A 25 11.780 70.419 -7.594 1.00 40.30 O +ATOM 1413 CB SER A 25 10.446 67.919 -9.149 1.00 36.05 C +ATOM 1414 OG SER A 25 9.524 66.849 -9.298 1.00 38.54 O +ATOM 1415 N LYS A 26 13.110 68.652 -7.898 1.00 38.91 N +ATOM 1416 CA LYS A 26 14.361 69.379 -8.066 1.00 43.40 C +ATOM 1417 C LYS A 26 14.684 70.381 -6.960 1.00 42.65 C +ATOM 1418 O LYS A 26 15.727 71.030 -7.032 1.00 44.39 O +ATOM 1419 CB LYS A 26 14.326 70.102 -9.419 1.00 48.32 C +ATOM 1420 CG LYS A 26 13.773 69.185 -10.538 1.00 55.00 C +ATOM 1421 CD LYS A 26 13.659 69.842 -11.912 1.00 55.00 C +ATOM 1422 CE LYS A 26 12.983 68.907 -12.927 1.00 52.54 C +ATOM 1423 NZ LYS A 26 11.515 68.689 -12.681 1.00 50.27 N +ATOM 1424 N SER A 27 13.842 70.518 -5.938 1.00 44.08 N +ATOM 1425 CA SER A 27 14.147 71.491 -4.890 1.00 45.04 C +ATOM 1426 C SER A 27 15.132 70.934 -3.855 1.00 42.88 C +ATOM 1427 O SER A 27 14.901 69.883 -3.271 1.00 48.86 O +ATOM 1428 CB SER A 27 12.841 71.941 -4.193 1.00 48.09 C +ATOM 1429 OG SER A 27 12.187 70.914 -3.474 1.00 50.03 O +ATOM 1430 N THR A 28 16.234 71.652 -3.646 1.00 38.52 N +ATOM 1431 CA THR A 28 17.302 71.277 -2.717 1.00 33.94 C +ATOM 1432 C THR A 28 16.951 71.447 -1.231 1.00 33.13 C +ATOM 1433 O THR A 28 17.212 72.513 -0.654 1.00 25.29 O +ATOM 1434 CB THR A 28 18.520 72.094 -3.033 1.00 24.84 C +ATOM 1435 OG1 THR A 28 18.094 73.307 -3.655 1.00 25.04 O +ATOM 1436 CG2 THR A 28 19.459 71.330 -3.988 1.00 36.26 C +ATOM 1437 N LEU A 29 16.406 70.376 -0.637 1.00 19.29 N +ATOM 1438 CA LEU A 29 15.966 70.320 0.747 1.00 13.31 C +ATOM 1439 C LEU A 29 17.042 70.645 1.806 1.00 14.48 C +ATOM 1440 O LEU A 29 16.647 71.213 2.819 1.00 17.20 O +ATOM 1441 CB LEU A 29 15.390 68.945 1.007 1.00 10.90 C +ATOM 1442 CG LEU A 29 14.463 68.503 -0.145 1.00 15.99 C +ATOM 1443 CD1 LEU A 29 13.659 67.337 0.302 1.00 16.93 C +ATOM 1444 CD2 LEU A 29 13.484 69.552 -0.501 1.00 21.70 C +ATOM 1445 N ILE A 30 18.350 70.363 1.580 1.00 6.40 N +ATOM 1446 CA ILE A 30 19.481 70.651 2.529 1.00 6.00 C +ATOM 1447 C ILE A 30 20.685 71.177 1.727 1.00 7.34 C +ATOM 1448 O ILE A 30 20.682 70.918 0.536 1.00 20.38 O +ATOM 1449 CB ILE A 30 19.889 69.335 3.292 1.00 7.78 C +ATOM 1450 CG1 ILE A 30 18.765 68.949 4.218 1.00 6.00 C +ATOM 1451 CG2 ILE A 30 21.148 69.512 4.092 1.00 6.00 C +ATOM 1452 CD1 ILE A 30 18.970 67.594 4.806 1.00 18.06 C +ATOM 1453 N HIS A 31 21.712 71.863 2.261 1.00 6.00 N +ATOM 1454 CA HIS A 31 22.828 72.336 1.367 1.00 6.00 C +ATOM 1455 C HIS A 31 24.172 72.194 2.035 1.00 7.49 C +ATOM 1456 O HIS A 31 24.260 72.538 3.182 1.00 26.83 O +ATOM 1457 CB HIS A 31 22.624 73.788 1.009 1.00 23.36 C +ATOM 1458 CG HIS A 31 21.309 74.073 0.361 1.00 28.04 C +ATOM 1459 ND1 HIS A 31 20.107 73.878 1.006 1.00 29.13 N +ATOM 1460 CD2 HIS A 31 21.007 74.543 -0.871 1.00 24.71 C +ATOM 1461 CE1 HIS A 31 19.116 74.215 0.199 1.00 32.34 C +ATOM 1462 NE2 HIS A 31 19.637 74.621 -0.947 1.00 33.23 N +ATOM 1463 N GLN A 32 25.231 71.811 1.329 1.00 17.63 N +ATOM 1464 CA GLN A 32 26.532 71.427 1.956 1.00 25.34 C +ATOM 1465 C GLN A 32 27.324 72.622 2.574 1.00 33.05 C +ATOM 1466 O GLN A 32 28.359 73.073 2.017 1.00 36.48 O +ATOM 1467 CB GLN A 32 27.485 70.752 0.948 1.00 22.58 C +ATOM 1468 CG GLN A 32 28.828 70.391 1.590 1.00 19.58 C +ATOM 1469 CD GLN A 32 29.864 69.858 0.642 1.00 33.40 C +ATOM 1470 OE1 GLN A 32 29.568 69.203 -0.371 1.00 30.23 O +ATOM 1471 NE2 GLN A 32 31.118 70.132 0.973 1.00 34.65 N +ATOM 1472 N GLY A 33 26.924 73.052 3.775 1.00 43.34 N +ATOM 1473 CA GLY A 33 27.665 74.087 4.511 1.00 40.74 C +ATOM 1474 C GLY A 33 26.950 74.577 5.773 1.00 36.94 C +ATOM 1475 O GLY A 33 27.582 74.917 6.789 1.00 38.11 O +ATOM 1476 N GLU A 34 25.622 74.583 5.685 1.00 30.01 N +ATOM 1477 CA GLU A 34 24.758 75.094 6.719 1.00 30.03 C +ATOM 1478 C GLU A 34 24.793 74.245 7.942 1.00 35.11 C +ATOM 1479 O GLU A 34 25.306 73.137 7.881 1.00 39.63 O +ATOM 1480 CB GLU A 34 23.369 75.199 6.143 1.00 28.77 C +ATOM 1481 CG GLU A 34 23.443 76.116 4.917 1.00 36.46 C +ATOM 1482 CD GLU A 34 22.106 76.575 4.396 1.00 42.77 C +ATOM 1483 OE1 GLU A 34 22.088 77.175 3.295 1.00 37.62 O +ATOM 1484 OE2 GLU A 34 21.089 76.341 5.091 1.00 43.20 O +ATOM 1485 N LYS A 35 24.295 74.786 9.056 1.00 26.70 N +ATOM 1486 CA LYS A 35 24.335 74.085 10.336 1.00 26.96 C +ATOM 1487 C LYS A 35 23.241 73.049 10.512 1.00 32.69 C +ATOM 1488 O LYS A 35 22.077 73.331 10.240 1.00 37.00 O +ATOM 1489 CB LYS A 35 24.244 75.089 11.485 1.00 42.35 C +ATOM 1490 CG LYS A 35 25.571 75.562 12.101 1.00 42.72 C +ATOM 1491 CD LYS A 35 26.516 76.176 11.096 1.00 46.67 C +ATOM 1492 CE LYS A 35 27.373 75.155 10.344 1.00 52.49 C +ATOM 1493 NZ LYS A 35 28.418 74.537 11.250 1.00 55.00 N +ATOM 1494 N ALA A 36 23.628 71.851 10.964 1.00 33.84 N +ATOM 1495 CA ALA A 36 22.678 70.757 11.186 1.00 27.47 C +ATOM 1496 C ALA A 36 22.014 70.968 12.555 1.00 24.01 C +ATOM 1497 O ALA A 36 22.718 71.151 13.551 1.00 6.55 O +ATOM 1498 CB ALA A 36 23.432 69.445 11.131 1.00 6.00 C +ATOM 1499 N GLU A 37 20.676 70.898 12.601 1.00 24.57 N +ATOM 1500 CA GLU A 37 19.877 71.172 13.806 1.00 27.42 C +ATOM 1501 C GLU A 37 18.461 70.570 13.745 1.00 31.32 C +ATOM 1502 O GLU A 37 17.750 70.582 14.751 1.00 37.00 O +ATOM 1503 CB GLU A 37 19.762 72.674 13.982 1.00 32.59 C +ATOM 1504 CG GLU A 37 18.775 73.254 12.954 1.00 36.79 C +ATOM 1505 CD GLU A 37 18.909 72.639 11.550 1.00 34.96 C +ATOM 1506 OE1 GLU A 37 20.009 72.580 10.957 1.00 34.45 O +ATOM 1507 OE2 GLU A 37 17.891 72.185 11.022 1.00 34.02 O +ATOM 1508 N THR A 38 18.061 70.099 12.561 1.00 31.87 N +ATOM 1509 CA THR A 38 16.763 69.450 12.254 1.00 27.46 C +ATOM 1510 C THR A 38 17.103 68.080 11.662 1.00 21.46 C +ATOM 1511 O THR A 38 18.174 67.900 11.109 1.00 20.91 O +ATOM 1512 CB THR A 38 15.916 70.235 11.170 1.00 33.31 C +ATOM 1513 OG1 THR A 38 15.691 71.560 11.632 1.00 36.18 O +ATOM 1514 CG2 THR A 38 14.556 69.610 10.933 1.00 39.15 C +ATOM 1515 N LEU A 39 16.175 67.149 11.736 1.00 14.76 N +ATOM 1516 CA LEU A 39 16.364 65.794 11.292 1.00 18.37 C +ATOM 1517 C LEU A 39 15.127 65.494 10.543 1.00 23.98 C +ATOM 1518 O LEU A 39 14.094 65.347 11.161 1.00 30.72 O +ATOM 1519 CB LEU A 39 16.504 64.852 12.500 1.00 24.33 C +ATOM 1520 CG LEU A 39 16.183 63.373 12.289 1.00 27.54 C +ATOM 1521 CD1 LEU A 39 17.306 62.675 11.568 1.00 32.63 C +ATOM 1522 CD2 LEU A 39 15.996 62.735 13.609 1.00 30.74 C +ATOM 1523 N TYR A 40 15.208 65.437 9.218 1.00 26.10 N +ATOM 1524 CA TYR A 40 14.026 65.199 8.385 1.00 26.88 C +ATOM 1525 C TYR A 40 13.616 63.740 8.387 1.00 25.83 C +ATOM 1526 O TYR A 40 14.320 62.856 8.866 1.00 35.53 O +ATOM 1527 CB TYR A 40 14.307 65.668 6.927 1.00 25.89 C +ATOM 1528 CG TYR A 40 14.768 67.120 6.856 1.00 31.74 C +ATOM 1529 CD1 TYR A 40 16.084 67.444 7.176 1.00 33.19 C +ATOM 1530 CD2 TYR A 40 13.894 68.166 6.501 1.00 23.12 C +ATOM 1531 CE1 TYR A 40 16.543 68.754 7.157 1.00 40.13 C +ATOM 1532 CE2 TYR A 40 14.347 69.497 6.481 1.00 30.05 C +ATOM 1533 CZ TYR A 40 15.688 69.784 6.814 1.00 39.57 C +ATOM 1534 OH TYR A 40 16.232 71.069 6.805 1.00 43.94 O +ATOM 1535 N TYR A 41 12.473 63.512 7.783 1.00 18.85 N +ATOM 1536 CA TYR A 41 11.884 62.195 7.647 1.00 17.23 C +ATOM 1537 C TYR A 41 11.000 62.260 6.388 1.00 20.33 C +ATOM 1538 O TYR A 41 10.108 63.108 6.332 1.00 29.73 O +ATOM 1539 CB TYR A 41 11.053 61.899 8.885 1.00 22.54 C +ATOM 1540 CG TYR A 41 10.404 60.566 8.775 1.00 23.25 C +ATOM 1541 CD1 TYR A 41 9.041 60.461 8.544 1.00 30.43 C +ATOM 1542 CD2 TYR A 41 11.149 59.405 8.846 1.00 28.35 C +ATOM 1543 CE1 TYR A 41 8.448 59.246 8.383 1.00 28.16 C +ATOM 1544 CE2 TYR A 41 10.558 58.182 8.685 1.00 26.29 C +ATOM 1545 CZ TYR A 41 9.214 58.115 8.451 1.00 26.78 C +ATOM 1546 OH TYR A 41 8.613 56.899 8.245 1.00 40.04 O +ATOM 1547 N ILE A 42 11.223 61.384 5.407 1.00 25.22 N +ATOM 1548 CA ILE A 42 10.508 61.418 4.113 1.00 29.55 C +ATOM 1549 C ILE A 42 9.097 60.766 4.072 1.00 30.50 C +ATOM 1550 O ILE A 42 8.937 59.570 3.787 1.00 33.70 O +ATOM 1551 CB ILE A 42 11.399 60.756 3.008 1.00 25.15 C +ATOM 1552 CG1 ILE A 42 12.791 61.393 2.982 1.00 27.91 C +ATOM 1553 CG2 ILE A 42 10.815 61.014 1.643 1.00 33.96 C +ATOM 1554 CD1 ILE A 42 13.620 60.983 1.766 1.00 21.39 C +ATOM 1555 N VAL A 43 8.067 61.573 4.305 1.00 25.63 N +ATOM 1556 CA VAL A 43 6.711 61.072 4.319 1.00 24.70 C +ATOM 1557 C VAL A 43 6.400 60.453 2.991 1.00 26.36 C +ATOM 1558 O VAL A 43 6.246 59.249 2.908 1.00 30.84 O +ATOM 1559 CB VAL A 43 5.727 62.168 4.555 1.00 25.96 C +ATOM 1560 CG1 VAL A 43 4.342 61.560 4.745 1.00 31.89 C +ATOM 1561 CG2 VAL A 43 6.151 62.972 5.763 1.00 37.01 C +ATOM 1562 N LYS A 44 6.334 61.276 1.948 1.00 30.92 N +ATOM 1563 CA LYS A 44 6.056 60.831 0.574 1.00 27.91 C +ATOM 1564 C LYS A 44 7.105 61.394 -0.353 1.00 31.55 C +ATOM 1565 O LYS A 44 7.423 62.577 -0.232 1.00 37.24 O +ATOM 1566 CB LYS A 44 4.689 61.324 0.116 1.00 33.10 C +ATOM 1567 CG LYS A 44 4.479 61.470 -1.403 1.00 39.56 C +ATOM 1568 CD LYS A 44 3.076 62.049 -1.709 1.00 43.20 C +ATOM 1569 CE LYS A 44 2.888 63.449 -1.052 1.00 51.21 C +ATOM 1570 NZ LYS A 44 1.512 64.075 -1.019 1.00 40.62 N +ATOM 1571 N GLY A 45 7.669 60.545 -1.225 1.00 33.47 N +ATOM 1572 CA GLY A 45 8.641 60.985 -2.223 1.00 33.84 C +ATOM 1573 C GLY A 45 10.026 60.354 -2.156 1.00 29.69 C +ATOM 1574 O GLY A 45 10.291 59.471 -1.346 1.00 32.11 O +ATOM 1575 N SER A 46 10.899 60.826 -3.043 1.00 16.92 N +ATOM 1576 CA SER A 46 12.294 60.422 -3.136 1.00 17.10 C +ATOM 1577 C SER A 46 13.149 61.689 -3.264 1.00 15.96 C +ATOM 1578 O SER A 46 12.738 62.687 -3.893 1.00 20.03 O +ATOM 1579 CB SER A 46 12.548 59.564 -4.373 1.00 21.99 C +ATOM 1580 OG SER A 46 11.518 58.611 -4.519 1.00 36.00 O +ATOM 1581 N VAL A 47 14.357 61.602 -2.742 1.00 7.03 N +ATOM 1582 CA VAL A 47 15.281 62.700 -2.706 1.00 6.00 C +ATOM 1583 C VAL A 47 16.665 62.189 -3.107 1.00 7.63 C +ATOM 1584 O VAL A 47 16.897 60.989 -3.058 1.00 23.70 O +ATOM 1585 CB VAL A 47 15.257 63.259 -1.282 1.00 17.01 C +ATOM 1586 CG1 VAL A 47 16.310 62.573 -0.442 1.00 18.43 C +ATOM 1587 CG2 VAL A 47 15.422 64.734 -1.334 1.00 27.34 C +ATOM 1588 N ALA A 48 17.598 63.039 -3.509 1.00 6.41 N +ATOM 1589 CA ALA A 48 18.915 62.499 -3.868 1.00 7.21 C +ATOM 1590 C ALA A 48 20.034 63.166 -3.057 1.00 7.10 C +ATOM 1591 O ALA A 48 20.008 64.340 -2.819 1.00 15.44 O +ATOM 1592 CB ALA A 48 19.162 62.704 -5.362 1.00 9.69 C +ATOM 1593 N VAL A 49 21.006 62.412 -2.592 1.00 7.28 N +ATOM 1594 CA VAL A 49 22.082 62.992 -1.825 1.00 6.00 C +ATOM 1595 C VAL A 49 23.231 63.077 -2.761 1.00 6.00 C +ATOM 1596 O VAL A 49 23.531 62.076 -3.408 1.00 15.08 O +ATOM 1597 CB VAL A 49 22.529 62.100 -0.605 1.00 6.00 C +ATOM 1598 CG1 VAL A 49 23.614 62.837 0.275 1.00 6.77 C +ATOM 1599 CG2 VAL A 49 21.350 61.778 0.210 1.00 6.00 C +ATOM 1600 N LEU A 50 23.882 64.231 -2.830 1.00 8.56 N +ATOM 1601 CA LEU A 50 25.047 64.424 -3.708 1.00 9.23 C +ATOM 1602 C LEU A 50 25.957 65.530 -3.153 1.00 9.79 C +ATOM 1603 O LEU A 50 25.537 66.375 -2.357 1.00 15.61 O +ATOM 1604 CB LEU A 50 24.551 64.786 -5.113 1.00 12.64 C +ATOM 1605 CG LEU A 50 23.551 65.951 -5.265 1.00 13.96 C +ATOM 1606 CD1 LEU A 50 24.253 67.224 -5.680 1.00 15.34 C +ATOM 1607 CD2 LEU A 50 22.586 65.625 -6.337 1.00 11.99 C +ATOM 1608 N ILE A 51 27.212 65.472 -3.537 1.00 6.00 N +ATOM 1609 CA ILE A 51 28.216 66.427 -3.141 1.00 11.11 C +ATOM 1610 C ILE A 51 28.655 67.136 -4.420 1.00 15.65 C +ATOM 1611 O ILE A 51 28.068 66.920 -5.475 1.00 15.27 O +ATOM 1612 CB ILE A 51 29.476 65.728 -2.475 1.00 17.15 C +ATOM 1613 CG1 ILE A 51 29.656 64.289 -3.023 1.00 14.36 C +ATOM 1614 CG2 ILE A 51 29.323 65.764 -0.992 1.00 23.73 C +ATOM 1615 CD1 ILE A 51 30.974 63.599 -2.695 1.00 6.00 C +ATOM 1616 N LYS A 52 29.693 67.959 -4.369 1.00 22.44 N +ATOM 1617 CA LYS A 52 30.108 68.628 -5.596 1.00 20.38 C +ATOM 1618 C LYS A 52 31.587 68.725 -5.688 1.00 22.43 C +ATOM 1619 O LYS A 52 32.302 68.658 -4.689 1.00 21.19 O +ATOM 1620 CB LYS A 52 29.522 70.046 -5.682 1.00 28.41 C +ATOM 1621 CG LYS A 52 28.058 70.080 -6.134 1.00 31.04 C +ATOM 1622 CD LYS A 52 27.343 71.403 -5.920 1.00 36.18 C +ATOM 1623 CE LYS A 52 27.987 72.582 -6.629 1.00 41.84 C +ATOM 1624 NZ LYS A 52 27.030 73.730 -6.488 1.00 41.22 N +ATOM 1625 N ASP A 53 32.008 68.837 -6.937 1.00 34.02 N +ATOM 1626 CA ASP A 53 33.384 69.003 -7.350 1.00 40.67 C +ATOM 1627 C ASP A 53 33.751 70.462 -7.129 1.00 41.31 C +ATOM 1628 O ASP A 53 32.881 71.326 -7.115 1.00 43.84 O +ATOM 1629 CB ASP A 53 33.477 68.581 -8.823 1.00 47.56 C +ATOM 1630 CG ASP A 53 34.229 69.556 -9.693 1.00 51.22 C +ATOM 1631 OD1 ASP A 53 35.353 69.966 -9.336 1.00 55.00 O +ATOM 1632 OD2 ASP A 53 33.685 69.900 -10.761 1.00 52.60 O +ATOM 1633 N GLU A 54 35.036 70.744 -7.006 1.00 39.04 N +ATOM 1634 CA GLU A 54 35.502 72.093 -6.731 1.00 43.86 C +ATOM 1635 C GLU A 54 34.884 73.156 -7.653 1.00 46.87 C +ATOM 1636 O GLU A 54 34.958 74.366 -7.361 1.00 47.75 O +ATOM 1637 CB GLU A 54 37.016 72.107 -6.852 1.00 45.27 C +ATOM 1638 CG GLU A 54 37.712 71.097 -5.923 1.00 50.95 C +ATOM 1639 CD GLU A 54 37.478 69.623 -6.307 1.00 51.54 C +ATOM 1640 OE1 GLU A 54 37.701 69.268 -7.490 1.00 48.23 O +ATOM 1641 OE2 GLU A 54 37.074 68.825 -5.427 1.00 54.62 O +ATOM 1642 N GLU A 55 34.269 72.694 -8.747 1.00 45.46 N +ATOM 1643 CA GLU A 55 33.633 73.572 -9.719 1.00 42.78 C +ATOM 1644 C GLU A 55 32.198 73.153 -10.124 1.00 37.52 C +ATOM 1645 O GLU A 55 31.670 73.617 -11.145 1.00 38.04 O +ATOM 1646 CB GLU A 55 34.511 73.651 -10.982 1.00 45.25 C +ATOM 1647 CG GLU A 55 35.959 74.135 -10.752 1.00 53.87 C +ATOM 1648 CD GLU A 55 36.046 75.472 -10.019 1.00 49.85 C +ATOM 1649 OE1 GLU A 55 35.313 76.426 -10.387 1.00 48.93 O +ATOM 1650 OE2 GLU A 55 36.857 75.546 -9.068 1.00 51.97 O +ATOM 1651 N GLY A 56 31.555 72.273 -9.375 1.00 24.83 N +ATOM 1652 CA GLY A 56 30.199 71.989 -9.762 1.00 24.43 C +ATOM 1653 C GLY A 56 29.922 70.586 -10.196 1.00 21.38 C +ATOM 1654 O GLY A 56 28.780 70.191 -10.114 1.00 35.28 O +ATOM 1655 N LYS A 57 30.884 69.822 -10.679 1.00 17.10 N +ATOM 1656 CA LYS A 57 30.536 68.465 -11.059 1.00 12.63 C +ATOM 1657 C LYS A 57 29.951 67.777 -9.837 1.00 13.37 C +ATOM 1658 O LYS A 57 30.558 67.721 -8.781 1.00 18.45 O +ATOM 1659 CB LYS A 57 31.775 67.708 -11.537 1.00 25.65 C +ATOM 1660 CG LYS A 57 31.671 66.192 -11.770 1.00 37.17 C +ATOM 1661 CD LYS A 57 30.701 65.785 -12.899 1.00 49.62 C +ATOM 1662 CE LYS A 57 30.905 64.308 -13.371 1.00 47.06 C +ATOM 1663 NZ LYS A 57 30.004 63.900 -14.522 1.00 39.56 N +ATOM 1664 N GLU A 58 28.727 67.311 -10.000 1.00 10.43 N +ATOM 1665 CA GLU A 58 28.072 66.576 -8.966 1.00 11.37 C +ATOM 1666 C GLU A 58 28.541 65.125 -9.032 1.00 14.73 C +ATOM 1667 O GLU A 58 29.151 64.735 -10.011 1.00 24.78 O +ATOM 1668 CB GLU A 58 26.559 66.683 -9.166 1.00 25.30 C +ATOM 1669 CG GLU A 58 26.072 68.127 -9.195 1.00 29.25 C +ATOM 1670 CD GLU A 58 24.557 68.268 -9.137 1.00 36.69 C +ATOM 1671 OE1 GLU A 58 24.073 69.418 -9.133 1.00 36.06 O +ATOM 1672 OE2 GLU A 58 23.838 67.245 -9.077 1.00 40.91 O +ATOM 1673 N MET A 59 28.250 64.365 -7.981 1.00 9.85 N +ATOM 1674 CA MET A 59 28.563 62.946 -7.777 1.00 6.00 C +ATOM 1675 C MET A 59 27.441 62.518 -6.871 1.00 7.80 C +ATOM 1676 O MET A 59 27.509 62.757 -5.683 1.00 27.55 O +ATOM 1677 CB MET A 59 29.885 62.741 -7.026 1.00 17.09 C +ATOM 1678 CG MET A 59 30.725 61.395 -7.180 1.00 24.34 C +ATOM 1679 SD MET A 59 29.955 59.781 -6.747 1.00 32.69 S +ATOM 1680 CE MET A 59 30.903 58.743 -7.804 1.00 24.75 C +ATOM 1681 N ILE A 60 26.345 61.996 -7.405 1.00 11.68 N +ATOM 1682 CA ILE A 60 25.287 61.537 -6.520 1.00 8.06 C +ATOM 1683 C ILE A 60 25.776 60.408 -5.584 1.00 12.64 C +ATOM 1684 O ILE A 60 26.314 59.405 -6.055 1.00 10.42 O +ATOM 1685 CB ILE A 60 24.162 60.992 -7.290 1.00 7.69 C +ATOM 1686 CG1 ILE A 60 23.555 62.080 -8.158 1.00 6.00 C +ATOM 1687 CG2 ILE A 60 23.200 60.391 -6.325 1.00 8.49 C +ATOM 1688 CD1 ILE A 60 22.294 61.637 -8.806 1.00 6.00 C +ATOM 1689 N LEU A 61 25.606 60.576 -4.274 1.00 17.04 N +ATOM 1690 CA LEU A 61 26.032 59.558 -3.287 1.00 14.85 C +ATOM 1691 C LEU A 61 25.047 58.442 -3.116 1.00 15.71 C +ATOM 1692 O LEU A 61 25.488 57.314 -2.943 1.00 13.65 O +ATOM 1693 CB LEU A 61 26.231 60.106 -1.869 1.00 7.01 C +ATOM 1694 CG LEU A 61 27.579 60.698 -1.564 1.00 9.87 C +ATOM 1695 CD1 LEU A 61 27.713 60.911 -0.077 1.00 6.62 C +ATOM 1696 CD2 LEU A 61 28.637 59.762 -2.054 1.00 11.64 C +ATOM 1697 N SER A 62 23.748 58.781 -3.081 1.00 13.52 N +ATOM 1698 CA SER A 62 22.621 57.837 -2.913 1.00 12.70 C +ATOM 1699 C SER A 62 21.274 58.536 -3.104 1.00 14.27 C +ATOM 1700 O SER A 62 21.203 59.749 -3.002 1.00 21.89 O +ATOM 1701 CB SER A 62 22.678 57.216 -1.495 1.00 18.25 C +ATOM 1702 OG SER A 62 21.555 56.392 -1.167 1.00 22.32 O +ATOM 1703 N TYR A 63 20.211 57.803 -3.427 1.00 16.66 N +ATOM 1704 CA TYR A 63 18.880 58.425 -3.463 1.00 17.17 C +ATOM 1705 C TYR A 63 18.262 57.974 -2.158 1.00 22.08 C +ATOM 1706 O TYR A 63 18.661 56.939 -1.620 1.00 26.67 O +ATOM 1707 CB TYR A 63 17.972 57.917 -4.611 1.00 25.46 C +ATOM 1708 CG TYR A 63 18.406 58.316 -6.006 1.00 26.60 C +ATOM 1709 CD1 TYR A 63 18.601 59.643 -6.354 1.00 27.88 C +ATOM 1710 CD2 TYR A 63 18.650 57.354 -6.977 1.00 29.79 C +ATOM 1711 CE1 TYR A 63 19.040 59.994 -7.643 1.00 30.60 C +ATOM 1712 CE2 TYR A 63 19.084 57.694 -8.262 1.00 30.50 C +ATOM 1713 CZ TYR A 63 19.280 59.008 -8.589 1.00 31.72 C +ATOM 1714 OH TYR A 63 19.732 59.312 -9.854 1.00 23.33 O +ATOM 1715 N LEU A 64 17.295 58.717 -1.641 1.00 27.35 N +ATOM 1716 CA LEU A 64 16.679 58.380 -0.365 1.00 26.74 C +ATOM 1717 C LEU A 64 15.184 58.367 -0.605 1.00 30.54 C +ATOM 1718 O LEU A 64 14.690 59.340 -1.158 1.00 25.17 O +ATOM 1719 CB LEU A 64 17.076 59.438 0.652 1.00 6.73 C +ATOM 1720 CG LEU A 64 17.895 59.013 1.845 1.00 6.00 C +ATOM 1721 CD1 LEU A 64 19.095 58.273 1.438 1.00 8.98 C +ATOM 1722 CD2 LEU A 64 18.322 60.189 2.555 1.00 6.00 C +ATOM 1723 N ASN A 65 14.477 57.292 -0.226 1.00 35.25 N +ATOM 1724 CA ASN A 65 13.029 57.160 -0.498 1.00 30.63 C +ATOM 1725 C ASN A 65 12.106 57.385 0.730 1.00 28.38 C +ATOM 1726 O ASN A 65 12.578 57.708 1.833 1.00 23.29 O +ATOM 1727 CB ASN A 65 12.768 55.764 -1.093 1.00 29.39 C +ATOM 1728 CG ASN A 65 13.589 55.492 -2.353 1.00 22.64 C +ATOM 1729 OD1 ASN A 65 14.793 55.230 -2.286 1.00 22.55 O +ATOM 1730 ND2 ASN A 65 12.927 55.540 -3.508 1.00 21.44 N +ATOM 1731 N GLN A 66 10.794 57.196 0.562 1.00 22.94 N +ATOM 1732 CA GLN A 66 9.914 57.467 1.680 1.00 22.12 C +ATOM 1733 C GLN A 66 10.164 56.488 2.766 1.00 27.93 C +ATOM 1734 O GLN A 66 10.397 55.305 2.536 1.00 35.38 O +ATOM 1735 CB GLN A 66 8.425 57.405 1.288 1.00 24.81 C +ATOM 1736 CG GLN A 66 7.767 56.099 0.817 1.00 23.84 C +ATOM 1737 CD GLN A 66 6.221 56.271 0.708 1.00 34.69 C +ATOM 1738 OE1 GLN A 66 5.548 55.659 -0.126 1.00 39.05 O +ATOM 1739 NE2 GLN A 66 5.667 57.121 1.563 1.00 31.00 N +ATOM 1740 N GLY A 67 10.133 56.997 3.977 1.00 28.63 N +ATOM 1741 CA GLY A 67 10.386 56.138 5.090 1.00 26.95 C +ATOM 1742 C GLY A 67 11.853 56.192 5.355 1.00 27.89 C +ATOM 1743 O GLY A 67 12.395 55.242 5.878 1.00 37.41 O +ATOM 1744 N ASP A 68 12.517 57.280 4.983 1.00 24.35 N +ATOM 1745 CA ASP A 68 13.945 57.400 5.301 1.00 26.61 C +ATOM 1746 C ASP A 68 14.165 58.634 6.184 1.00 23.54 C +ATOM 1747 O ASP A 68 13.338 59.517 6.172 1.00 26.06 O +ATOM 1748 CB ASP A 68 14.763 57.521 4.001 1.00 22.95 C +ATOM 1749 CG ASP A 68 15.496 56.224 3.626 1.00 24.75 C +ATOM 1750 OD1 ASP A 68 15.106 55.504 2.676 1.00 13.07 O +ATOM 1751 OD2 ASP A 68 16.500 55.935 4.305 1.00 30.67 O +ATOM 1752 N PHE A 69 15.213 58.681 6.998 1.00 20.68 N +ATOM 1753 CA PHE A 69 15.493 59.879 7.797 1.00 19.92 C +ATOM 1754 C PHE A 69 16.525 60.739 7.053 1.00 20.69 C +ATOM 1755 O PHE A 69 17.391 60.174 6.396 1.00 26.10 O +ATOM 1756 CB PHE A 69 16.095 59.522 9.149 1.00 28.80 C +ATOM 1757 CG PHE A 69 15.138 58.927 10.137 1.00 34.08 C +ATOM 1758 CD1 PHE A 69 14.123 59.702 10.695 1.00 28.93 C +ATOM 1759 CD2 PHE A 69 15.277 57.587 10.539 1.00 38.04 C +ATOM 1760 CE1 PHE A 69 13.255 59.150 11.641 1.00 32.17 C +ATOM 1761 CE2 PHE A 69 14.425 57.023 11.476 1.00 30.56 C +ATOM 1762 CZ PHE A 69 13.403 57.810 12.031 1.00 32.26 C +ATOM 1763 N ILE A 70 16.490 62.072 7.157 1.00 18.58 N +ATOM 1764 CA ILE A 70 17.498 62.892 6.454 1.00 26.28 C +ATOM 1765 C ILE A 70 18.234 63.861 7.380 1.00 30.93 C +ATOM 1766 O ILE A 70 17.638 64.501 8.238 1.00 43.35 O +ATOM 1767 CB ILE A 70 16.920 63.804 5.355 1.00 34.75 C +ATOM 1768 CG1 ILE A 70 16.022 63.039 4.387 1.00 38.94 C +ATOM 1769 CG2 ILE A 70 18.074 64.350 4.546 1.00 37.06 C +ATOM 1770 CD1 ILE A 70 15.300 63.970 3.381 1.00 44.51 C +ATOM 1771 N GLY A 71 19.535 64.015 7.178 1.00 33.69 N +ATOM 1772 CA GLY A 71 20.282 64.937 8.009 1.00 25.56 C +ATOM 1773 C GLY A 71 20.388 64.425 9.431 1.00 24.70 C +ATOM 1774 O GLY A 71 20.198 65.192 10.371 1.00 29.91 O +ATOM 1775 N GLU A 72 20.710 63.141 9.601 1.00 13.93 N +ATOM 1776 CA GLU A 72 20.832 62.623 10.936 1.00 12.48 C +ATOM 1777 C GLU A 72 22.274 62.670 11.391 1.00 11.30 C +ATOM 1778 O GLU A 72 22.589 62.200 12.474 1.00 17.78 O +ATOM 1779 CB GLU A 72 20.317 61.171 11.013 1.00 13.01 C +ATOM 1780 CG GLU A 72 21.236 60.065 10.399 1.00 18.25 C +ATOM 1781 CD GLU A 72 21.276 60.043 8.866 1.00 16.76 C +ATOM 1782 OE1 GLU A 72 20.306 60.513 8.239 1.00 11.12 O +ATOM 1783 OE2 GLU A 72 22.277 59.551 8.294 1.00 15.76 O +ATOM 1784 N LEU A 73 23.179 63.230 10.607 1.00 9.81 N +ATOM 1785 CA LEU A 73 24.587 63.222 11.057 1.00 13.82 C +ATOM 1786 C LEU A 73 24.964 64.320 12.050 1.00 17.22 C +ATOM 1787 O LEU A 73 26.076 64.349 12.539 1.00 14.89 O +ATOM 1788 CB LEU A 73 25.527 63.298 9.836 1.00 14.15 C +ATOM 1789 CG LEU A 73 25.782 61.937 9.125 1.00 14.99 C +ATOM 1790 CD1 LEU A 73 24.860 60.857 9.671 1.00 21.16 C +ATOM 1791 CD2 LEU A 73 25.495 62.078 7.629 1.00 8.97 C +ATOM 1792 N GLY A 74 24.038 65.217 12.375 1.00 30.27 N +ATOM 1793 CA GLY A 74 24.353 66.270 13.328 1.00 33.67 C +ATOM 1794 C GLY A 74 23.872 65.896 14.713 1.00 34.03 C +ATOM 1795 O GLY A 74 24.427 66.303 15.737 1.00 39.53 O +ATOM 1796 N LEU A 75 22.829 65.080 14.708 1.00 26.27 N +ATOM 1797 CA LEU A 75 22.162 64.571 15.881 1.00 23.17 C +ATOM 1798 C LEU A 75 23.062 64.115 17.022 1.00 25.64 C +ATOM 1799 O LEU A 75 22.563 63.981 18.131 1.00 34.35 O +ATOM 1800 CB LEU A 75 21.299 63.421 15.455 1.00 29.90 C +ATOM 1801 CG LEU A 75 20.410 62.799 16.499 1.00 40.14 C +ATOM 1802 CD1 LEU A 75 19.480 63.847 17.131 1.00 35.25 C +ATOM 1803 CD2 LEU A 75 19.632 61.691 15.802 1.00 46.55 C +ATOM 1804 N PHE A 76 24.351 63.863 16.776 1.00 29.39 N +ATOM 1805 CA PHE A 76 25.232 63.328 17.823 1.00 30.43 C +ATOM 1806 C PHE A 76 26.430 64.224 18.119 1.00 33.08 C +ATOM 1807 O PHE A 76 27.470 63.721 18.556 1.00 39.56 O +ATOM 1808 CB PHE A 76 25.825 61.946 17.450 1.00 36.92 C +ATOM 1809 CG PHE A 76 24.898 61.037 16.711 1.00 38.34 C +ATOM 1810 CD1 PHE A 76 24.024 60.212 17.377 1.00 39.90 C +ATOM 1811 CD2 PHE A 76 24.899 61.026 15.330 1.00 38.51 C +ATOM 1812 CE1 PHE A 76 23.163 59.392 16.668 1.00 39.12 C +ATOM 1813 CE2 PHE A 76 24.045 60.211 14.625 1.00 34.14 C +ATOM 1814 CZ PHE A 76 23.179 59.400 15.298 1.00 25.35 C +ATOM 1815 N GLU A 77 26.336 65.522 17.878 1.00 31.61 N +ATOM 1816 CA GLU A 77 27.451 66.404 18.189 1.00 33.42 C +ATOM 1817 C GLU A 77 26.985 67.802 17.924 1.00 35.76 C +ATOM 1818 O GLU A 77 25.972 67.976 17.278 1.00 46.52 O +ATOM 1819 CB GLU A 77 28.675 66.042 17.322 1.00 34.97 C +ATOM 1820 CG GLU A 77 29.904 66.925 17.598 1.00 51.06 C +ATOM 1821 CD GLU A 77 31.263 66.279 17.279 1.00 55.00 C +ATOM 1822 OE1 GLU A 77 31.515 65.160 17.790 1.00 55.00 O +ATOM 1823 OE2 GLU A 77 32.085 66.893 16.549 1.00 54.67 O +ATOM 1824 N GLU A 78 27.679 68.809 18.420 1.00 41.85 N +ATOM 1825 CA GLU A 78 27.189 70.174 18.243 1.00 44.81 C +ATOM 1826 C GLU A 78 27.858 70.930 17.107 1.00 45.88 C +ATOM 1827 O GLU A 78 29.008 70.645 16.770 1.00 47.34 O +ATOM 1828 CB GLU A 78 27.391 70.971 19.536 1.00 45.21 C +ATOM 1829 CG GLU A 78 26.689 70.419 20.792 1.00 45.88 C +ATOM 1830 CD GLU A 78 25.188 70.692 20.848 1.00 43.78 C +ATOM 1831 OE1 GLU A 78 24.748 71.674 20.201 1.00 43.55 O +ATOM 1832 OE2 GLU A 78 24.475 69.923 21.551 1.00 37.15 O +ATOM 1833 N GLY A 79 27.102 71.872 16.529 1.00 46.22 N +ATOM 1834 CA GLY A 79 27.586 72.776 15.489 1.00 48.69 C +ATOM 1835 C GLY A 79 28.298 72.166 14.276 1.00 42.68 C +ATOM 1836 O GLY A 79 29.325 72.698 13.778 1.00 30.47 O +ATOM 1837 N GLN A 80 27.772 71.053 13.783 1.00 45.11 N +ATOM 1838 CA GLN A 80 28.360 70.473 12.601 1.00 42.89 C +ATOM 1839 C GLN A 80 27.525 70.938 11.420 1.00 41.23 C +ATOM 1840 O GLN A 80 26.302 71.124 11.541 1.00 39.58 O +ATOM 1841 CB GLN A 80 28.359 68.940 12.715 1.00 46.42 C +ATOM 1842 CG GLN A 80 29.252 68.388 13.832 1.00 43.16 C +ATOM 1843 CD GLN A 80 29.474 66.891 13.706 1.00 48.16 C +ATOM 1844 OE1 GLN A 80 30.557 66.429 13.310 1.00 42.62 O +ATOM 1845 NE2 GLN A 80 28.443 66.121 14.028 1.00 46.28 N +ATOM 1846 N GLU A 81 28.186 71.163 10.293 1.00 36.87 N +ATOM 1847 CA GLU A 81 27.487 71.603 9.083 1.00 35.83 C +ATOM 1848 C GLU A 81 26.672 70.453 8.445 1.00 36.60 C +ATOM 1849 O GLU A 81 26.724 69.319 8.936 1.00 35.61 O +ATOM 1850 CB GLU A 81 28.524 72.129 8.107 1.00 41.66 C +ATOM 1851 CG GLU A 81 29.510 73.051 8.809 1.00 44.03 C +ATOM 1852 CD GLU A 81 30.367 73.852 7.879 1.00 49.44 C +ATOM 1853 OE1 GLU A 81 30.417 75.076 8.086 1.00 55.00 O +ATOM 1854 OE2 GLU A 81 30.989 73.283 6.958 1.00 48.69 O +ATOM 1855 N ARG A 82 25.895 70.748 7.396 1.00 27.15 N +ATOM 1856 CA ARG A 82 25.130 69.725 6.672 1.00 23.90 C +ATOM 1857 C ARG A 82 26.166 69.218 5.662 1.00 20.67 C +ATOM 1858 O ARG A 82 26.767 70.046 4.983 1.00 27.73 O +ATOM 1859 CB ARG A 82 23.936 70.359 5.960 1.00 20.29 C +ATOM 1860 CG ARG A 82 22.982 71.156 6.834 1.00 26.02 C +ATOM 1861 CD ARG A 82 21.699 70.447 7.165 1.00 18.92 C +ATOM 1862 NE ARG A 82 21.919 69.244 7.969 1.00 41.63 N +ATOM 1863 CZ ARG A 82 20.977 68.632 8.691 1.00 38.51 C +ATOM 1864 NH1 ARG A 82 19.715 69.089 8.731 1.00 33.68 N +ATOM 1865 NH2 ARG A 82 21.307 67.555 9.387 1.00 38.07 N +ATOM 1866 N SER A 83 26.376 67.905 5.537 1.00 10.76 N +ATOM 1867 CA SER A 83 27.491 67.424 4.701 1.00 11.30 C +ATOM 1868 C SER A 83 27.305 67.181 3.208 1.00 6.17 C +ATOM 1869 O SER A 83 28.297 66.884 2.547 1.00 8.10 O +ATOM 1870 CB SER A 83 28.080 66.115 5.275 1.00 6.00 C +ATOM 1871 OG SER A 83 27.145 65.043 5.227 1.00 10.48 O +ATOM 1872 N ALA A 84 26.112 67.312 2.666 1.00 6.00 N +ATOM 1873 CA ALA A 84 25.907 67.047 1.234 1.00 13.33 C +ATOM 1874 C ALA A 84 24.703 67.799 0.768 1.00 14.80 C +ATOM 1875 O ALA A 84 24.214 68.695 1.449 1.00 19.43 O +ATOM 1876 CB ALA A 84 25.678 65.541 0.972 1.00 22.03 C +ATOM 1877 N TRP A 85 24.214 67.430 -0.394 1.00 11.47 N +ATOM 1878 CA TRP A 85 23.019 68.068 -0.873 1.00 11.40 C +ATOM 1879 C TRP A 85 21.912 67.055 -1.014 1.00 10.37 C +ATOM 1880 O TRP A 85 22.139 65.862 -1.158 1.00 20.14 O +ATOM 1881 CB TRP A 85 23.300 68.713 -2.199 1.00 21.53 C +ATOM 1882 CG TRP A 85 23.682 70.120 -2.147 1.00 21.10 C +ATOM 1883 CD1 TRP A 85 22.833 71.166 -2.150 1.00 21.65 C +ATOM 1884 CD2 TRP A 85 24.991 70.665 -2.223 1.00 12.05 C +ATOM 1885 NE1 TRP A 85 23.526 72.342 -2.251 1.00 13.68 N +ATOM 1886 CE2 TRP A 85 24.856 72.063 -2.303 1.00 15.41 C +ATOM 1887 CE3 TRP A 85 26.257 70.115 -2.251 1.00 13.77 C +ATOM 1888 CZ2 TRP A 85 25.934 72.918 -2.411 1.00 6.21 C +ATOM 1889 CZ3 TRP A 85 27.344 70.964 -2.357 1.00 15.30 C +ATOM 1890 CH2 TRP A 85 27.172 72.349 -2.442 1.00 18.90 C +ATOM 1891 N VAL A 86 20.703 67.544 -1.041 1.00 6.00 N +ATOM 1892 CA VAL A 86 19.566 66.691 -1.097 1.00 6.00 C +ATOM 1893 C VAL A 86 18.480 67.505 -1.788 1.00 13.05 C +ATOM 1894 O VAL A 86 18.044 68.556 -1.278 1.00 19.10 O +ATOM 1895 CB VAL A 86 19.164 66.285 0.351 1.00 6.00 C +ATOM 1896 CG1 VAL A 86 17.905 65.475 0.357 1.00 7.70 C +ATOM 1897 CG2 VAL A 86 20.252 65.488 0.952 1.00 6.00 C +ATOM 1898 N ARG A 87 18.078 67.020 -2.960 1.00 17.12 N +ATOM 1899 CA ARG A 87 17.091 67.633 -3.828 1.00 19.39 C +ATOM 1900 C ARG A 87 15.949 66.657 -4.071 1.00 23.02 C +ATOM 1901 O ARG A 87 16.187 65.500 -4.343 1.00 27.12 O +ATOM 1902 CB ARG A 87 17.784 68.008 -5.140 1.00 14.28 C +ATOM 1903 CG ARG A 87 16.849 68.186 -6.314 1.00 29.50 C +ATOM 1904 CD ARG A 87 17.570 68.425 -7.657 1.00 30.53 C +ATOM 1905 NE ARG A 87 18.262 67.287 -8.268 1.00 37.35 N +ATOM 1906 CZ ARG A 87 19.565 67.275 -8.582 1.00 42.86 C +ATOM 1907 NH1 ARG A 87 20.323 68.349 -8.330 1.00 35.93 N +ATOM 1908 NH2 ARG A 87 20.115 66.203 -9.179 1.00 27.91 N +ATOM 1909 N ALA A 88 14.710 67.110 -3.974 1.00 30.45 N +ATOM 1910 CA ALA A 88 13.575 66.227 -4.192 1.00 32.40 C +ATOM 1911 C ALA A 88 13.623 65.688 -5.590 1.00 33.41 C +ATOM 1912 O ALA A 88 13.683 66.465 -6.532 1.00 42.77 O +ATOM 1913 CB ALA A 88 12.311 66.975 -4.006 1.00 31.17 C +ATOM 1914 N LYS A 89 13.631 64.370 -5.734 1.00 32.75 N +ATOM 1915 CA LYS A 89 13.653 63.750 -7.061 1.00 34.42 C +ATOM 1916 C LYS A 89 12.225 63.831 -7.615 1.00 30.90 C +ATOM 1917 O LYS A 89 11.980 63.888 -8.825 1.00 32.55 O +ATOM 1918 CB LYS A 89 14.120 62.293 -6.930 1.00 35.68 C +ATOM 1919 CG LYS A 89 14.923 61.824 -8.113 1.00 36.56 C +ATOM 1920 CD LYS A 89 15.513 60.411 -7.969 1.00 34.14 C +ATOM 1921 CE LYS A 89 14.535 59.261 -8.223 1.00 36.64 C +ATOM 1922 NZ LYS A 89 13.699 58.787 -7.090 1.00 31.48 N +ATOM 1923 N THR A 90 11.295 63.843 -6.665 1.00 30.89 N +ATOM 1924 CA THR A 90 9.860 63.965 -6.886 1.00 32.73 C +ATOM 1925 C THR A 90 9.328 64.859 -5.788 1.00 33.54 C +ATOM 1926 O THR A 90 10.102 65.461 -5.047 1.00 40.04 O +ATOM 1927 CB THR A 90 9.112 62.620 -6.779 1.00 34.98 C +ATOM 1928 OG1 THR A 90 9.450 62.011 -5.531 1.00 39.57 O +ATOM 1929 CG2 THR A 90 9.454 61.702 -7.948 1.00 40.12 C +ATOM 1930 N ALA A 91 8.018 64.961 -5.675 1.00 25.85 N +ATOM 1931 CA ALA A 91 7.469 65.797 -4.633 1.00 27.82 C +ATOM 1932 C ALA A 91 7.696 65.150 -3.272 1.00 33.09 C +ATOM 1933 O ALA A 91 7.710 63.934 -3.167 1.00 40.41 O +ATOM 1934 CB ALA A 91 6.001 65.988 -4.906 1.00 33.09 C +ATOM 1935 N CYS A 92 7.856 65.918 -2.207 1.00 36.14 N +ATOM 1936 CA CYS A 92 8.078 65.220 -0.961 1.00 44.77 C +ATOM 1937 C CYS A 92 7.499 65.844 0.302 1.00 51.16 C +ATOM 1938 O CYS A 92 7.872 66.968 0.679 1.00 55.00 O +ATOM 1939 CB CYS A 92 9.562 65.046 -0.727 1.00 45.43 C +ATOM 1940 SG CYS A 92 10.418 64.677 -2.190 1.00 41.87 S +ATOM 1941 N GLU A 93 6.573 65.131 0.942 1.00 45.15 N +ATOM 1942 CA GLU A 93 6.115 65.568 2.247 1.00 40.07 C +ATOM 1943 C GLU A 93 7.268 65.124 3.163 1.00 38.57 C +ATOM 1944 O GLU A 93 7.531 63.930 3.290 1.00 46.00 O +ATOM 1945 CB GLU A 93 4.852 64.846 2.683 1.00 40.37 C +ATOM 1946 CG GLU A 93 3.622 65.062 1.879 1.00 43.07 C +ATOM 1947 CD GLU A 93 2.458 64.267 2.448 1.00 46.73 C +ATOM 1948 OE1 GLU A 93 2.482 63.886 3.656 1.00 45.91 O +ATOM 1949 OE2 GLU A 93 1.512 64.026 1.669 1.00 50.53 O +ATOM 1950 N VAL A 94 7.953 66.063 3.784 1.00 25.26 N +ATOM 1951 CA VAL A 94 9.118 65.773 4.592 1.00 19.52 C +ATOM 1952 C VAL A 94 8.897 66.290 5.995 1.00 22.16 C +ATOM 1953 O VAL A 94 8.955 67.495 6.223 1.00 27.41 O +ATOM 1954 CB VAL A 94 10.345 66.451 3.948 1.00 27.22 C +ATOM 1955 CG1 VAL A 94 11.586 66.291 4.798 1.00 34.77 C +ATOM 1956 CG2 VAL A 94 10.571 65.836 2.611 1.00 34.72 C +ATOM 1957 N ALA A 95 8.633 65.384 6.932 1.00 21.55 N +ATOM 1958 CA ALA A 95 8.413 65.749 8.331 1.00 19.89 C +ATOM 1959 C ALA A 95 9.648 66.317 8.977 1.00 17.88 C +ATOM 1960 O ALA A 95 10.783 66.018 8.599 1.00 20.23 O +ATOM 1961 CB ALA A 95 7.982 64.536 9.155 1.00 23.50 C +ATOM 1962 N GLU A 96 9.410 67.107 10.005 1.00 25.98 N +ATOM 1963 CA GLU A 96 10.490 67.661 10.767 1.00 29.50 C +ATOM 1964 C GLU A 96 10.201 67.791 12.252 1.00 33.73 C +ATOM 1965 O GLU A 96 9.084 68.046 12.689 1.00 35.78 O +ATOM 1966 CB GLU A 96 10.866 69.051 10.274 1.00 27.63 C +ATOM 1967 CG GLU A 96 11.637 69.106 9.007 1.00 32.63 C +ATOM 1968 CD GLU A 96 10.858 69.759 7.912 1.00 44.18 C +ATOM 1969 OE1 GLU A 96 11.466 70.476 7.088 1.00 45.71 O +ATOM 1970 OE2 GLU A 96 9.629 69.551 7.882 1.00 53.20 O +ATOM 1971 N ILE A 97 11.291 67.564 12.971 1.00 36.22 N +ATOM 1972 CA ILE A 97 11.520 67.749 14.392 1.00 37.13 C +ATOM 1973 C ILE A 97 12.756 68.579 14.553 1.00 35.72 C +ATOM 1974 O ILE A 97 13.247 69.075 13.552 1.00 32.79 O +ATOM 1975 CB ILE A 97 11.823 66.431 15.203 1.00 36.02 C +ATOM 1976 CG1 ILE A 97 11.163 65.223 14.564 1.00 35.70 C +ATOM 1977 CG2 ILE A 97 11.213 66.545 16.624 1.00 24.59 C +ATOM 1978 CD1 ILE A 97 11.442 63.942 15.305 1.00 39.90 C +ATOM 1979 N SER A 98 13.287 68.758 15.749 1.00 40.49 N +ATOM 1980 CA SER A 98 14.551 69.491 15.807 1.00 43.85 C +ATOM 1981 C SER A 98 15.480 68.575 16.566 1.00 42.09 C +ATOM 1982 O SER A 98 15.022 67.554 17.113 1.00 41.20 O +ATOM 1983 CB SER A 98 14.391 70.858 16.548 1.00 42.58 C +ATOM 1984 OG SER A 98 14.027 70.740 17.910 1.00 44.95 O +ATOM 1985 N TYR A 99 16.764 68.873 16.614 1.00 35.58 N +ATOM 1986 CA TYR A 99 17.617 67.921 17.281 1.00 38.18 C +ATOM 1987 C TYR A 99 17.200 67.637 18.724 1.00 41.10 C +ATOM 1988 O TYR A 99 17.006 66.472 19.136 1.00 35.74 O +ATOM 1989 CB TYR A 99 19.056 68.436 17.217 1.00 32.98 C +ATOM 1990 CG TYR A 99 19.697 68.180 15.859 1.00 25.49 C +ATOM 1991 CD1 TYR A 99 18.969 67.607 14.814 1.00 29.95 C +ATOM 1992 CD2 TYR A 99 21.021 68.488 15.627 1.00 22.03 C +ATOM 1993 CE1 TYR A 99 19.544 67.349 13.585 1.00 23.04 C +ATOM 1994 CE2 TYR A 99 21.607 68.239 14.409 1.00 19.43 C +ATOM 1995 CZ TYR A 99 20.866 67.666 13.384 1.00 22.99 C +ATOM 1996 OH TYR A 99 21.449 67.402 12.167 1.00 22.80 O +ATOM 1997 N LYS A 100 16.998 68.708 19.480 1.00 45.21 N +ATOM 1998 CA LYS A 100 16.676 68.561 20.889 1.00 43.00 C +ATOM 1999 C LYS A 100 15.340 67.917 21.120 1.00 40.20 C +ATOM 2000 O LYS A 100 15.254 67.016 21.960 1.00 41.22 O +ATOM 2001 CB LYS A 100 16.724 69.934 21.591 1.00 35.73 C +ATOM 2002 CG LYS A 100 18.161 70.482 21.720 1.00 29.76 C +ATOM 2003 CD LYS A 100 18.414 71.768 20.923 1.00 33.34 C +ATOM 2004 CE LYS A 100 18.210 71.711 19.371 1.00 32.98 C +ATOM 2005 NZ LYS A 100 16.791 71.664 18.855 1.00 32.31 N +ATOM 2006 N LYS A 101 14.299 68.313 20.396 1.00 24.97 N +ATOM 2007 CA LYS A 101 13.056 67.660 20.732 1.00 29.84 C +ATOM 2008 C LYS A 101 13.182 66.176 20.428 1.00 37.14 C +ATOM 2009 O LYS A 101 12.539 65.330 21.077 1.00 41.51 O +ATOM 2010 CB LYS A 101 11.893 68.258 19.947 1.00 37.74 C +ATOM 2011 CG LYS A 101 10.519 67.818 20.523 1.00 43.67 C +ATOM 2012 CD LYS A 101 10.494 68.057 22.042 1.00 43.49 C +ATOM 2013 CE LYS A 101 9.179 67.691 22.696 1.00 50.32 C +ATOM 2014 NZ LYS A 101 9.374 67.623 24.180 1.00 43.61 N +ATOM 2015 N PHE A 102 14.044 65.860 19.463 1.00 45.97 N +ATOM 2016 CA PHE A 102 14.285 64.473 19.109 1.00 40.49 C +ATOM 2017 C PHE A 102 14.964 63.738 20.278 1.00 33.92 C +ATOM 2018 O PHE A 102 14.473 62.698 20.702 1.00 35.16 O +ATOM 2019 CB PHE A 102 15.173 64.382 17.859 1.00 30.78 C +ATOM 2020 CG PHE A 102 15.397 62.981 17.421 1.00 19.48 C +ATOM 2021 CD1 PHE A 102 14.377 62.268 16.870 1.00 21.14 C +ATOM 2022 CD2 PHE A 102 16.623 62.382 17.582 1.00 26.31 C +ATOM 2023 CE1 PHE A 102 14.565 60.979 16.484 1.00 25.78 C +ATOM 2024 CE2 PHE A 102 16.836 61.075 17.197 1.00 28.19 C +ATOM 2025 CZ PHE A 102 15.816 60.372 16.646 1.00 25.60 C +ATOM 2026 N ARG A 103 16.073 64.260 20.806 1.00 33.19 N +ATOM 2027 CA ARG A 103 16.729 63.605 21.947 1.00 37.05 C +ATOM 2028 C ARG A 103 15.728 63.449 23.119 1.00 43.35 C +ATOM 2029 O ARG A 103 15.731 62.435 23.839 1.00 43.03 O +ATOM 2030 CB ARG A 103 17.916 64.432 22.421 1.00 33.00 C +ATOM 2031 CG ARG A 103 18.814 64.818 21.332 1.00 24.18 C +ATOM 2032 CD ARG A 103 19.932 65.615 21.893 1.00 28.95 C +ATOM 2033 NE ARG A 103 20.518 66.415 20.820 1.00 35.23 N +ATOM 2034 CZ ARG A 103 21.816 66.637 20.659 1.00 29.70 C +ATOM 2035 NH1 ARG A 103 22.710 66.122 21.495 1.00 30.43 N +ATOM 2036 NH2 ARG A 103 22.221 67.395 19.658 1.00 38.48 N +ATOM 2037 N GLN A 104 14.892 64.474 23.302 1.00 36.81 N +ATOM 2038 CA GLN A 104 13.846 64.470 24.308 1.00 35.02 C +ATOM 2039 C GLN A 104 12.879 63.373 23.940 1.00 32.89 C +ATOM 2040 O GLN A 104 12.262 62.769 24.786 1.00 36.28 O +ATOM 2041 CB GLN A 104 13.140 65.842 24.331 1.00 45.28 C +ATOM 2042 CG GLN A 104 13.956 66.951 25.042 1.00 47.48 C +ATOM 2043 CD GLN A 104 13.487 68.386 24.755 1.00 53.21 C +ATOM 2044 OE1 GLN A 104 12.301 68.727 24.868 1.00 48.25 O +ATOM 2045 NE2 GLN A 104 14.444 69.236 24.383 1.00 52.30 N +ATOM 2046 N LEU A 105 12.758 63.127 22.649 1.00 33.82 N +ATOM 2047 CA LEU A 105 11.908 62.077 22.132 1.00 34.59 C +ATOM 2048 C LEU A 105 12.575 60.723 22.230 1.00 37.42 C +ATOM 2049 O LEU A 105 11.919 59.709 21.962 1.00 42.68 O +ATOM 2050 CB LEU A 105 11.579 62.342 20.677 1.00 45.85 C +ATOM 2051 CG LEU A 105 10.730 63.542 20.304 1.00 43.79 C +ATOM 2052 CD1 LEU A 105 10.920 63.884 18.835 1.00 50.06 C +ATOM 2053 CD2 LEU A 105 9.304 63.229 20.645 1.00 43.91 C +ATOM 2054 N ILE A 106 13.868 60.699 22.563 1.00 40.48 N +ATOM 2055 CA ILE A 106 14.614 59.434 22.677 1.00 42.64 C +ATOM 2056 C ILE A 106 14.595 58.810 24.083 1.00 47.81 C +ATOM 2057 O ILE A 106 14.244 57.625 24.228 1.00 51.24 O +ATOM 2058 CB ILE A 106 16.105 59.544 22.372 1.00 36.82 C +ATOM 2059 CG1 ILE A 106 16.359 60.281 21.078 1.00 41.93 C +ATOM 2060 CG2 ILE A 106 16.661 58.133 22.176 1.00 42.11 C +ATOM 2061 CD1 ILE A 106 17.837 60.397 20.805 1.00 39.03 C +ATOM 2062 N GLN A 107 15.003 59.590 25.098 1.00 47.45 N +ATOM 2063 CA GLN A 107 15.083 59.127 26.491 1.00 44.95 C +ATOM 2064 C GLN A 107 13.720 58.642 27.008 1.00 41.91 C +ATOM 2065 O GLN A 107 13.572 58.302 28.181 1.00 47.41 O +ATOM 2066 CB GLN A 107 15.637 60.284 27.346 1.00 52.08 C +ATOM 2067 CG GLN A 107 16.568 59.913 28.541 1.00 52.32 C +ATOM 2068 CD GLN A 107 15.862 59.661 29.885 1.00 55.00 C +ATOM 2069 OE1 GLN A 107 16.185 58.702 30.591 1.00 52.60 O +ATOM 2070 NE2 GLN A 107 14.917 60.537 30.251 1.00 52.61 N +ATOM 2071 N VAL A 108 12.712 58.676 26.142 1.00 38.72 N +ATOM 2072 CA VAL A 108 11.360 58.338 26.538 1.00 41.32 C +ATOM 2073 C VAL A 108 11.091 56.989 25.817 1.00 48.15 C +ATOM 2074 O VAL A 108 11.154 55.962 26.480 1.00 52.87 O +ATOM 2075 CB VAL A 108 10.315 59.411 26.071 1.00 47.46 C +ATOM 2076 CG1 VAL A 108 8.914 59.040 26.584 1.00 52.09 C +ATOM 2077 CG2 VAL A 108 10.692 60.777 26.618 1.00 50.35 C +ATOM 2078 N ASN A 109 10.869 56.931 24.496 1.00 51.35 N +ATOM 2079 CA ASN A 109 10.745 55.637 23.727 1.00 50.46 C +ATOM 2080 C ASN A 109 11.969 55.350 22.877 1.00 46.80 C +ATOM 2081 O ASN A 109 12.034 55.776 21.729 1.00 52.04 O +ATOM 2082 CB ASN A 109 9.546 55.532 22.769 1.00 54.74 C +ATOM 2083 CG ASN A 109 9.575 54.228 21.942 1.00 55.00 C +ATOM 2084 OD1 ASN A 109 10.471 53.395 22.102 1.00 50.39 O +ATOM 2085 ND2 ASN A 109 8.596 54.056 21.062 1.00 55.00 N +ATOM 2086 N PRO A 110 12.902 54.537 23.380 1.00 47.69 N +ATOM 2087 CA PRO A 110 14.184 54.312 22.696 1.00 45.67 C +ATOM 2088 C PRO A 110 14.043 53.766 21.261 1.00 43.39 C +ATOM 2089 O PRO A 110 14.993 53.821 20.470 1.00 38.25 O +ATOM 2090 CB PRO A 110 14.914 53.371 23.652 1.00 44.78 C +ATOM 2091 CG PRO A 110 13.754 52.501 24.152 1.00 43.86 C +ATOM 2092 CD PRO A 110 12.804 53.626 24.564 1.00 46.08 C +ATOM 2093 N ASP A 111 12.848 53.311 20.904 1.00 37.97 N +ATOM 2094 CA ASP A 111 12.653 52.671 19.625 1.00 39.63 C +ATOM 2095 C ASP A 111 13.221 53.406 18.418 1.00 44.48 C +ATOM 2096 O ASP A 111 14.062 52.808 17.717 1.00 39.40 O +ATOM 2097 CB ASP A 111 11.161 52.423 19.393 1.00 48.25 C +ATOM 2098 CG ASP A 111 10.895 51.126 18.591 1.00 48.08 C +ATOM 2099 OD1 ASP A 111 11.851 50.322 18.419 1.00 43.79 O +ATOM 2100 OD2 ASP A 111 9.738 50.901 18.145 1.00 47.39 O +ATOM 2101 N ILE A 112 12.816 54.667 18.167 1.00 48.35 N +ATOM 2102 CA ILE A 112 13.295 55.373 16.956 1.00 44.75 C +ATOM 2103 C ILE A 112 14.773 55.701 16.961 1.00 41.87 C +ATOM 2104 O ILE A 112 15.311 55.940 15.867 1.00 48.94 O +ATOM 2105 CB ILE A 112 12.531 56.748 16.647 1.00 36.77 C +ATOM 2106 CG1 ILE A 112 12.367 57.586 17.918 1.00 37.30 C +ATOM 2107 CG2 ILE A 112 11.223 56.426 15.958 1.00 34.08 C +ATOM 2108 CD1 ILE A 112 13.649 58.261 18.423 1.00 36.80 C +ATOM 2109 N LEU A 113 15.446 55.745 18.113 1.00 31.61 N +ATOM 2110 CA LEU A 113 16.881 55.939 17.971 1.00 27.12 C +ATOM 2111 C LEU A 113 17.323 54.705 17.234 1.00 27.97 C +ATOM 2112 O LEU A 113 18.153 54.775 16.328 1.00 25.44 O +ATOM 2113 CB LEU A 113 17.656 55.983 19.294 1.00 22.58 C +ATOM 2114 CG LEU A 113 19.141 56.235 18.988 1.00 18.06 C +ATOM 2115 CD1 LEU A 113 19.228 57.151 17.782 1.00 19.08 C +ATOM 2116 CD2 LEU A 113 19.853 56.889 20.172 1.00 20.10 C +ATOM 2117 N MET A 114 16.709 53.581 17.605 1.00 26.77 N +ATOM 2118 CA MET A 114 17.028 52.332 16.953 1.00 30.66 C +ATOM 2119 C MET A 114 16.657 52.385 15.517 1.00 32.97 C +ATOM 2120 O MET A 114 17.494 52.024 14.703 1.00 45.97 O +ATOM 2121 CB MET A 114 16.300 51.130 17.575 1.00 33.30 C +ATOM 2122 CG MET A 114 17.002 50.465 18.783 1.00 37.71 C +ATOM 2123 SD MET A 114 18.657 49.730 18.472 1.00 45.94 S +ATOM 2124 CE MET A 114 18.267 48.085 17.927 1.00 48.02 C +ATOM 2125 N ARG A 115 15.449 52.827 15.170 1.00 34.44 N +ATOM 2126 CA ARG A 115 15.096 52.839 13.735 1.00 34.05 C +ATOM 2127 C ARG A 115 15.974 53.780 12.918 1.00 25.98 C +ATOM 2128 O ARG A 115 16.183 53.550 11.743 1.00 28.70 O +ATOM 2129 CB ARG A 115 13.595 53.211 13.520 1.00 28.57 C +ATOM 2130 CG ARG A 115 12.626 51.996 13.837 1.00 24.98 C +ATOM 2131 CD ARG A 115 11.093 52.206 13.574 1.00 27.12 C +ATOM 2132 NE ARG A 115 10.280 51.531 14.598 1.00 28.89 N +ATOM 2133 CZ ARG A 115 8.998 51.138 14.498 1.00 35.35 C +ATOM 2134 NH1 ARG A 115 8.269 51.314 13.393 1.00 27.17 N +ATOM 2135 NH2 ARG A 115 8.405 50.582 15.559 1.00 34.01 N +ATOM 2136 N LEU A 116 16.528 54.815 13.517 1.00 25.40 N +ATOM 2137 CA LEU A 116 17.410 55.673 12.750 1.00 20.29 C +ATOM 2138 C LEU A 116 18.768 54.960 12.568 1.00 27.21 C +ATOM 2139 O LEU A 116 19.220 54.727 11.451 1.00 37.20 O +ATOM 2140 CB LEU A 116 17.569 56.990 13.497 1.00 24.72 C +ATOM 2141 CG LEU A 116 18.483 58.072 12.934 1.00 27.81 C +ATOM 2142 CD1 LEU A 116 17.667 59.205 12.381 1.00 33.13 C +ATOM 2143 CD2 LEU A 116 19.365 58.610 14.058 1.00 30.23 C +ATOM 2144 N SER A 117 19.415 54.578 13.662 1.00 38.07 N +ATOM 2145 CA SER A 117 20.719 53.884 13.625 1.00 36.79 C +ATOM 2146 C SER A 117 20.775 52.740 12.617 1.00 37.19 C +ATOM 2147 O SER A 117 21.813 52.478 11.992 1.00 42.34 O +ATOM 2148 CB SER A 117 21.069 53.295 14.996 1.00 38.67 C +ATOM 2149 OG SER A 117 21.440 54.306 15.913 1.00 36.02 O +ATOM 2150 N ALA A 118 19.663 52.040 12.476 1.00 22.60 N +ATOM 2151 CA ALA A 118 19.629 50.945 11.554 1.00 19.84 C +ATOM 2152 C ALA A 118 19.901 51.440 10.131 1.00 22.40 C +ATOM 2153 O ALA A 118 20.735 50.855 9.421 1.00 27.22 O +ATOM 2154 CB ALA A 118 18.265 50.268 11.648 1.00 24.15 C +ATOM 2155 N GLN A 119 19.221 52.526 9.727 1.00 28.22 N +ATOM 2156 CA GLN A 119 19.362 53.105 8.372 1.00 24.21 C +ATOM 2157 C GLN A 119 20.757 53.580 8.133 1.00 23.19 C +ATOM 2158 O GLN A 119 21.231 53.510 7.012 1.00 30.33 O +ATOM 2159 CB GLN A 119 18.427 54.288 8.166 1.00 18.30 C +ATOM 2160 CG GLN A 119 16.947 53.888 8.132 1.00 17.35 C +ATOM 2161 CD GLN A 119 16.015 55.084 8.034 1.00 14.29 C +ATOM 2162 OE1 GLN A 119 16.451 56.249 7.981 1.00 17.80 O +ATOM 2163 NE2 GLN A 119 14.723 54.806 7.998 1.00 7.09 N +ATOM 2164 N MET A 120 21.414 54.052 9.186 1.00 19.53 N +ATOM 2165 CA MET A 120 22.786 54.523 9.091 1.00 14.14 C +ATOM 2166 C MET A 120 23.732 53.344 9.010 1.00 14.33 C +ATOM 2167 O MET A 120 24.902 53.517 8.733 1.00 24.43 O +ATOM 2168 CB MET A 120 23.191 55.363 10.317 1.00 19.81 C +ATOM 2169 CG MET A 120 22.223 56.439 10.763 1.00 19.08 C +ATOM 2170 SD MET A 120 23.222 57.697 11.506 1.00 23.10 S +ATOM 2171 CE MET A 120 23.537 57.081 13.075 1.00 10.79 C +ATOM 2172 N ALA A 121 23.259 52.145 9.311 1.00 20.50 N +ATOM 2173 CA ALA A 121 24.121 50.970 9.204 1.00 18.62 C +ATOM 2174 C ALA A 121 24.156 50.560 7.731 1.00 18.96 C +ATOM 2175 O ALA A 121 25.211 50.337 7.152 1.00 15.12 O +ATOM 2176 CB ALA A 121 23.560 49.851 10.061 1.00 17.10 C +ATOM 2177 N ARG A 122 22.987 50.464 7.119 1.00 20.50 N +ATOM 2178 CA ARG A 122 22.920 50.153 5.698 1.00 18.16 C +ATOM 2179 C ARG A 122 23.799 51.131 4.940 1.00 21.10 C +ATOM 2180 O ARG A 122 24.712 50.739 4.200 1.00 27.08 O +ATOM 2181 CB ARG A 122 21.519 50.315 5.131 1.00 26.23 C +ATOM 2182 CG ARG A 122 20.632 49.118 4.997 1.00 32.55 C +ATOM 2183 CD ARG A 122 21.245 48.032 4.128 1.00 36.45 C +ATOM 2184 NE ARG A 122 22.133 47.193 4.924 1.00 29.17 N +ATOM 2185 CZ ARG A 122 21.705 46.407 5.904 1.00 31.31 C +ATOM 2186 NH1 ARG A 122 20.404 46.360 6.189 1.00 15.69 N +ATOM 2187 NH2 ARG A 122 22.574 45.687 6.608 1.00 34.39 N +ATOM 2188 N ARG A 123 23.537 52.422 5.137 1.00 13.99 N +ATOM 2189 CA ARG A 123 24.270 53.428 4.383 1.00 6.00 C +ATOM 2190 C ARG A 123 25.763 53.258 4.407 1.00 6.00 C +ATOM 2191 O ARG A 123 26.442 53.500 3.420 1.00 15.85 O +ATOM 2192 CB ARG A 123 23.933 54.805 4.895 1.00 6.00 C +ATOM 2193 CG ARG A 123 22.506 55.089 4.676 1.00 6.00 C +ATOM 2194 CD ARG A 123 22.106 56.403 5.197 1.00 10.26 C +ATOM 2195 NE ARG A 123 20.651 56.496 5.193 1.00 13.27 N +ATOM 2196 CZ ARG A 123 20.015 57.592 5.590 1.00 13.62 C +ATOM 2197 NH1 ARG A 123 20.722 58.637 6.011 1.00 14.69 N +ATOM 2198 NH2 ARG A 123 18.689 57.658 5.531 1.00 16.88 N +ATOM 2199 N LEU A 124 26.319 52.814 5.505 1.00 9.91 N +ATOM 2200 CA LEU A 124 27.761 52.718 5.489 1.00 11.28 C +ATOM 2201 C LEU A 124 28.113 51.476 4.713 1.00 10.41 C +ATOM 2202 O LEU A 124 29.233 51.355 4.194 1.00 16.33 O +ATOM 2203 CB LEU A 124 28.307 52.645 6.931 1.00 6.34 C +ATOM 2204 CG LEU A 124 29.815 52.737 7.161 1.00 12.65 C +ATOM 2205 CD1 LEU A 124 30.422 54.077 6.678 1.00 6.00 C +ATOM 2206 CD2 LEU A 124 30.005 52.537 8.664 1.00 16.00 C +ATOM 2207 N GLN A 125 27.190 50.518 4.660 1.00 7.92 N +ATOM 2208 CA GLN A 125 27.510 49.324 3.878 1.00 8.94 C +ATOM 2209 C GLN A 125 27.444 49.722 2.431 1.00 8.42 C +ATOM 2210 O GLN A 125 28.398 49.513 1.683 1.00 17.44 O +ATOM 2211 CB GLN A 125 26.517 48.203 4.105 1.00 15.87 C +ATOM 2212 CG GLN A 125 26.741 47.346 5.288 1.00 16.47 C +ATOM 2213 CD GLN A 125 25.516 46.564 5.541 1.00 15.39 C +ATOM 2214 OE1 GLN A 125 24.528 47.149 5.871 1.00 21.61 O +ATOM 2215 NE2 GLN A 125 25.545 45.247 5.346 1.00 28.19 N +ATOM 2216 N VAL A 126 26.347 50.346 2.042 1.00 6.00 N +ATOM 2217 CA VAL A 126 26.253 50.702 0.670 1.00 6.00 C +ATOM 2218 C VAL A 126 27.383 51.622 0.227 1.00 8.10 C +ATOM 2219 O VAL A 126 27.978 51.406 -0.846 1.00 17.67 O +ATOM 2220 CB VAL A 126 24.928 51.357 0.416 1.00 6.00 C +ATOM 2221 CG1 VAL A 126 24.803 51.780 -1.051 1.00 13.12 C +ATOM 2222 CG2 VAL A 126 23.849 50.360 0.749 1.00 7.74 C +ATOM 2223 N THR A 127 27.721 52.604 1.052 1.00 6.00 N +ATOM 2224 CA THR A 127 28.733 53.532 0.690 1.00 6.00 C +ATOM 2225 C THR A 127 30.055 52.911 0.657 1.00 6.00 C +ATOM 2226 O THR A 127 30.918 53.374 -0.087 1.00 13.11 O +ATOM 2227 CB THR A 127 28.745 54.701 1.657 1.00 11.39 C +ATOM 2228 OG1 THR A 127 27.427 55.255 1.683 1.00 13.01 O +ATOM 2229 CG2 THR A 127 29.694 55.832 1.192 1.00 6.00 C +ATOM 2230 N SER A 128 30.259 51.878 1.462 1.00 12.31 N +ATOM 2231 CA SER A 128 31.563 51.178 1.477 1.00 14.09 C +ATOM 2232 C SER A 128 31.762 50.427 0.187 1.00 10.53 C +ATOM 2233 O SER A 128 32.861 50.334 -0.308 1.00 6.00 O +ATOM 2234 CB SER A 128 31.655 50.170 2.631 1.00 10.98 C +ATOM 2235 OG SER A 128 31.974 50.830 3.844 1.00 14.25 O +ATOM 2236 N GLU A 129 30.650 49.883 -0.309 1.00 20.35 N +ATOM 2237 CA GLU A 129 30.589 49.141 -1.543 1.00 23.84 C +ATOM 2238 C GLU A 129 30.949 50.110 -2.668 1.00 22.94 C +ATOM 2239 O GLU A 129 31.856 49.806 -3.488 1.00 22.27 O +ATOM 2240 CB GLU A 129 29.173 48.588 -1.726 1.00 23.35 C +ATOM 2241 CG GLU A 129 28.958 47.628 -2.886 1.00 25.33 C +ATOM 2242 CD GLU A 129 27.500 47.672 -3.411 1.00 40.56 C +ATOM 2243 OE1 GLU A 129 26.597 48.146 -2.682 1.00 38.47 O +ATOM 2244 OE2 GLU A 129 27.238 47.256 -4.573 1.00 47.90 O +ATOM 2245 N LYS A 130 30.272 51.270 -2.686 1.00 9.38 N +ATOM 2246 CA LYS A 130 30.550 52.281 -3.708 1.00 7.04 C +ATOM 2247 C LYS A 130 32.003 52.608 -3.794 1.00 7.28 C +ATOM 2248 O LYS A 130 32.503 52.849 -4.882 1.00 13.23 O +ATOM 2249 CB LYS A 130 29.827 53.602 -3.455 1.00 8.63 C +ATOM 2250 CG LYS A 130 30.187 54.652 -4.516 1.00 12.81 C +ATOM 2251 CD LYS A 130 29.368 55.948 -4.450 1.00 16.18 C +ATOM 2252 CE LYS A 130 27.935 55.780 -4.926 1.00 12.95 C +ATOM 2253 NZ LYS A 130 27.781 56.616 -6.148 1.00 22.30 N +ATOM 2254 N VAL A 131 32.684 52.656 -2.652 1.00 8.09 N +ATOM 2255 CA VAL A 131 34.114 52.926 -2.690 1.00 7.49 C +ATOM 2256 C VAL A 131 34.848 51.662 -3.126 1.00 8.99 C +ATOM 2257 O VAL A 131 36.014 51.685 -3.466 1.00 19.06 O +ATOM 2258 CB VAL A 131 34.600 53.392 -1.305 1.00 6.00 C +ATOM 2259 CG1 VAL A 131 36.077 53.814 -1.366 1.00 6.00 C +ATOM 2260 CG2 VAL A 131 33.742 54.559 -0.858 1.00 6.00 C +ATOM 2261 N GLY A 132 34.178 50.519 -3.073 1.00 11.39 N +ATOM 2262 CA GLY A 132 34.810 49.342 -3.623 1.00 6.63 C +ATOM 2263 C GLY A 132 34.719 49.479 -5.150 1.00 13.79 C +ATOM 2264 O GLY A 132 35.727 49.433 -5.891 1.00 6.00 O +ATOM 2265 N ASN A 133 33.493 49.698 -5.632 1.00 13.46 N +ATOM 2266 CA ASN A 133 33.268 49.866 -7.061 1.00 15.82 C +ATOM 2267 C ASN A 133 34.171 50.944 -7.692 1.00 15.49 C +ATOM 2268 O ASN A 133 34.839 50.661 -8.681 1.00 23.40 O +ATOM 2269 CB ASN A 133 31.793 50.185 -7.281 1.00 16.61 C +ATOM 2270 CG ASN A 133 30.907 49.006 -6.889 1.00 28.00 C +ATOM 2271 OD1 ASN A 133 31.415 47.957 -6.479 1.00 32.39 O +ATOM 2272 ND2 ASN A 133 29.592 49.165 -7.004 1.00 21.42 N +ATOM 2273 N LEU A 134 34.261 52.142 -7.130 1.00 14.32 N +ATOM 2274 CA LEU A 134 35.111 53.170 -7.727 1.00 6.00 C +ATOM 2275 C LEU A 134 36.531 52.736 -7.784 1.00 6.00 C +ATOM 2276 O LEU A 134 37.214 52.973 -8.747 1.00 6.00 O +ATOM 2277 CB LEU A 134 35.015 54.456 -6.923 1.00 6.52 C +ATOM 2278 CG LEU A 134 33.641 55.101 -7.002 1.00 6.00 C +ATOM 2279 CD1 LEU A 134 33.357 56.084 -5.916 1.00 6.00 C +ATOM 2280 CD2 LEU A 134 33.643 55.812 -8.335 1.00 8.39 C +ATOM 2281 N ALA A 135 36.988 52.081 -6.744 1.00 6.00 N +ATOM 2282 CA ALA A 135 38.371 51.661 -6.713 1.00 7.49 C +ATOM 2283 C ALA A 135 38.695 50.369 -7.487 1.00 13.28 C +ATOM 2284 O ALA A 135 39.851 50.177 -7.925 1.00 10.07 O +ATOM 2285 CB ALA A 135 38.788 51.493 -5.287 1.00 8.22 C +ATOM 2286 N PHE A 136 37.733 49.463 -7.644 1.00 11.22 N +ATOM 2287 CA PHE A 136 38.050 48.207 -8.336 1.00 12.27 C +ATOM 2288 C PHE A 136 37.510 48.069 -9.758 1.00 18.15 C +ATOM 2289 O PHE A 136 38.240 47.615 -10.625 1.00 20.61 O +ATOM 2290 CB PHE A 136 37.527 47.002 -7.554 1.00 15.98 C +ATOM 2291 CG PHE A 136 38.115 46.833 -6.169 1.00 9.70 C +ATOM 2292 CD1 PHE A 136 39.408 47.235 -5.890 1.00 6.00 C +ATOM 2293 CD2 PHE A 136 37.351 46.237 -5.170 1.00 8.62 C +ATOM 2294 CE1 PHE A 136 39.936 47.057 -4.674 1.00 10.48 C +ATOM 2295 CE2 PHE A 136 37.867 46.050 -3.940 1.00 15.19 C +ATOM 2296 CZ PHE A 136 39.170 46.463 -3.679 1.00 7.26 C +ATOM 2297 N LEU A 137 36.246 48.412 -10.001 1.00 14.88 N +ATOM 2298 CA LEU A 137 35.623 48.245 -11.330 1.00 14.02 C +ATOM 2299 C LEU A 137 36.005 49.277 -12.358 1.00 16.69 C +ATOM 2300 O LEU A 137 36.425 50.377 -12.007 1.00 18.42 O +ATOM 2301 CB LEU A 137 34.095 48.285 -11.246 1.00 13.92 C +ATOM 2302 CG LEU A 137 33.285 46.992 -11.118 1.00 18.52 C +ATOM 2303 CD1 LEU A 137 34.235 45.819 -11.204 1.00 13.90 C +ATOM 2304 CD2 LEU A 137 32.528 46.974 -9.862 1.00 10.79 C +ATOM 2305 N ASP A 138 35.892 48.909 -13.638 1.00 18.47 N +ATOM 2306 CA ASP A 138 36.075 49.900 -14.701 1.00 20.43 C +ATOM 2307 C ASP A 138 34.683 50.375 -15.058 1.00 15.80 C +ATOM 2308 O ASP A 138 33.692 49.779 -14.642 1.00 21.43 O +ATOM 2309 CB ASP A 138 36.789 49.316 -15.979 1.00 24.22 C +ATOM 2310 CG ASP A 138 36.089 48.116 -16.621 1.00 26.66 C +ATOM 2311 OD1 ASP A 138 34.874 47.871 -16.389 1.00 28.12 O +ATOM 2312 OD2 ASP A 138 36.802 47.410 -17.380 1.00 19.30 O +ATOM 2313 N VAL A 139 34.597 51.415 -15.863 1.00 11.09 N +ATOM 2314 CA VAL A 139 33.297 51.997 -16.168 1.00 10.60 C +ATOM 2315 C VAL A 139 32.211 50.990 -16.565 1.00 8.76 C +ATOM 2316 O VAL A 139 31.141 50.991 -15.947 1.00 19.97 O +ATOM 2317 CB VAL A 139 33.421 53.060 -17.306 1.00 23.65 C +ATOM 2318 CG1 VAL A 139 32.126 53.838 -17.415 1.00 27.54 C +ATOM 2319 CG2 VAL A 139 34.571 54.013 -17.013 1.00 27.60 C +ATOM 2320 N THR A 140 32.412 50.135 -17.554 1.00 6.90 N +ATOM 2321 CA THR A 140 31.315 49.225 -17.879 1.00 6.00 C +ATOM 2322 C THR A 140 30.966 48.455 -16.624 1.00 6.00 C +ATOM 2323 O THR A 140 29.806 48.228 -16.340 1.00 11.30 O +ATOM 2324 CB THR A 140 31.727 48.261 -19.009 1.00 9.97 C +ATOM 2325 OG1 THR A 140 32.537 48.964 -19.966 1.00 14.22 O +ATOM 2326 CG2 THR A 140 30.481 47.773 -19.787 1.00 8.92 C +ATOM 2327 N GLY A 141 31.974 48.094 -15.842 1.00 6.00 N +ATOM 2328 CA GLY A 141 31.715 47.429 -14.582 1.00 6.00 C +ATOM 2329 C GLY A 141 30.776 48.280 -13.774 1.00 6.00 C +ATOM 2330 O GLY A 141 29.593 47.947 -13.632 1.00 6.00 O +ATOM 2331 N ARG A 142 31.269 49.410 -13.275 1.00 8.33 N +ATOM 2332 CA ARG A 142 30.418 50.321 -12.491 1.00 8.67 C +ATOM 2333 C ARG A 142 29.060 50.640 -13.185 1.00 14.33 C +ATOM 2334 O ARG A 142 28.063 50.771 -12.491 1.00 24.43 O +ATOM 2335 CB ARG A 142 31.098 51.673 -12.239 1.00 14.77 C +ATOM 2336 CG ARG A 142 32.577 51.727 -11.785 1.00 15.47 C +ATOM 2337 CD ARG A 142 32.890 53.245 -11.747 1.00 12.12 C +ATOM 2338 NE ARG A 142 34.264 53.647 -12.052 1.00 17.85 N +ATOM 2339 CZ ARG A 142 34.586 54.785 -12.682 1.00 28.81 C +ATOM 2340 NH1 ARG A 142 33.637 55.641 -13.081 1.00 17.92 N +ATOM 2341 NH2 ARG A 142 35.862 55.074 -12.932 1.00 30.01 N +ATOM 2342 N ILE A 143 28.963 50.798 -14.504 1.00 9.10 N +ATOM 2343 CA ILE A 143 27.638 51.093 -15.077 1.00 13.32 C +ATOM 2344 C ILE A 143 26.683 49.885 -15.028 1.00 9.08 C +ATOM 2345 O ILE A 143 25.474 50.048 -14.825 1.00 9.51 O +ATOM 2346 CB ILE A 143 27.719 51.531 -16.546 1.00 7.25 C +ATOM 2347 CG1 ILE A 143 28.510 52.823 -16.666 1.00 11.11 C +ATOM 2348 CG2 ILE A 143 26.347 51.820 -17.057 1.00 6.00 C +ATOM 2349 CD1 ILE A 143 28.858 53.219 -18.070 1.00 9.93 C +ATOM 2350 N ALA A 144 27.199 48.677 -15.211 1.00 16.00 N +ATOM 2351 CA ALA A 144 26.341 47.473 -15.131 1.00 18.20 C +ATOM 2352 C ALA A 144 25.727 47.342 -13.740 1.00 17.06 C +ATOM 2353 O ALA A 144 24.539 47.038 -13.595 1.00 6.15 O +ATOM 2354 CB ALA A 144 27.159 46.196 -15.427 1.00 6.00 C +ATOM 2355 N GLN A 145 26.591 47.540 -12.736 1.00 23.10 N +ATOM 2356 CA GLN A 145 26.270 47.467 -11.307 1.00 18.67 C +ATOM 2357 C GLN A 145 25.226 48.538 -10.963 1.00 21.12 C +ATOM 2358 O GLN A 145 24.215 48.214 -10.337 1.00 28.84 O +ATOM 2359 CB GLN A 145 27.546 47.684 -10.501 1.00 21.31 C +ATOM 2360 CG GLN A 145 27.602 47.047 -9.123 1.00 33.02 C +ATOM 2361 CD GLN A 145 27.873 45.537 -9.172 1.00 45.71 C +ATOM 2362 OE1 GLN A 145 28.954 45.073 -9.599 1.00 34.24 O +ATOM 2363 NE2 GLN A 145 26.888 44.761 -8.726 1.00 43.32 N +ATOM 2364 N THR A 146 25.450 49.793 -11.370 1.00 14.14 N +ATOM 2365 CA THR A 146 24.469 50.865 -11.143 1.00 9.07 C +ATOM 2366 C THR A 146 23.115 50.371 -11.656 1.00 8.49 C +ATOM 2367 O THR A 146 22.087 50.515 -10.993 1.00 7.65 O +ATOM 2368 CB THR A 146 24.770 52.174 -11.927 1.00 8.96 C +ATOM 2369 OG1 THR A 146 26.026 52.756 -11.558 1.00 6.00 O +ATOM 2370 CG2 THR A 146 23.716 53.151 -11.619 1.00 16.60 C +ATOM 2371 N LEU A 147 23.125 49.787 -12.849 1.00 13.20 N +ATOM 2372 CA LEU A 147 21.901 49.257 -13.455 1.00 17.02 C +ATOM 2373 C LEU A 147 21.290 48.048 -12.687 1.00 15.91 C +ATOM 2374 O LEU A 147 20.046 47.900 -12.646 1.00 10.13 O +ATOM 2375 CB LEU A 147 22.231 48.902 -14.895 1.00 13.49 C +ATOM 2376 CG LEU A 147 21.718 49.766 -16.043 1.00 12.52 C +ATOM 2377 CD1 LEU A 147 21.682 51.205 -15.746 1.00 13.58 C +ATOM 2378 CD2 LEU A 147 22.642 49.481 -17.183 1.00 16.72 C +ATOM 2379 N LEU A 148 22.136 47.188 -12.108 1.00 13.52 N +ATOM 2380 CA LEU A 148 21.672 46.093 -11.237 1.00 12.77 C +ATOM 2381 C LEU A 148 20.957 46.716 -10.029 1.00 9.33 C +ATOM 2382 O LEU A 148 19.821 46.363 -9.705 1.00 20.82 O +ATOM 2383 CB LEU A 148 22.859 45.255 -10.757 1.00 11.31 C +ATOM 2384 CG LEU A 148 23.119 43.965 -11.554 1.00 16.51 C +ATOM 2385 CD1 LEU A 148 22.838 44.243 -13.038 1.00 18.44 C +ATOM 2386 CD2 LEU A 148 24.571 43.473 -11.311 1.00 6.00 C +ATOM 2387 N ASN A 149 21.613 47.675 -9.387 1.00 12.17 N +ATOM 2388 CA ASN A 149 21.030 48.421 -8.256 1.00 15.27 C +ATOM 2389 C ASN A 149 19.686 49.181 -8.610 1.00 15.38 C +ATOM 2390 O ASN A 149 18.649 48.909 -7.995 1.00 24.01 O +ATOM 2391 CB ASN A 149 22.006 49.486 -7.725 1.00 20.01 C +ATOM 2392 CG ASN A 149 23.327 48.925 -7.208 1.00 31.03 C +ATOM 2393 OD1 ASN A 149 23.435 47.759 -6.833 1.00 28.47 O +ATOM 2394 ND2 ASN A 149 24.351 49.781 -7.180 1.00 21.92 N +ATOM 2395 N LEU A 150 19.669 50.091 -9.597 1.00 14.50 N +ATOM 2396 CA LEU A 150 18.467 50.916 -9.836 1.00 16.03 C +ATOM 2397 C LEU A 150 17.331 50.046 -10.313 1.00 17.72 C +ATOM 2398 O LEU A 150 16.128 50.367 -10.134 1.00 14.96 O +ATOM 2399 CB LEU A 150 18.674 52.014 -10.919 1.00 13.33 C +ATOM 2400 CG LEU A 150 19.932 52.906 -10.985 1.00 21.26 C +ATOM 2401 CD1 LEU A 150 19.700 53.854 -12.196 1.00 9.10 C +ATOM 2402 CD2 LEU A 150 20.161 53.729 -9.728 1.00 22.84 C +ATOM 2403 N ALA A 151 17.713 48.954 -10.969 1.00 23.61 N +ATOM 2404 CA ALA A 151 16.698 48.047 -11.455 1.00 28.38 C +ATOM 2405 C ALA A 151 15.988 47.598 -10.199 1.00 26.24 C +ATOM 2406 O ALA A 151 14.784 47.459 -10.219 1.00 31.44 O +ATOM 2407 CB ALA A 151 17.352 46.835 -12.232 1.00 14.51 C +ATOM 2408 N LYS A 152 16.765 47.445 -9.116 1.00 30.18 N +ATOM 2409 CA LYS A 152 16.331 47.036 -7.767 1.00 30.07 C +ATOM 2410 C LYS A 152 15.688 48.124 -6.893 1.00 30.25 C +ATOM 2411 O LYS A 152 15.044 47.825 -5.885 1.00 27.85 O +ATOM 2412 CB LYS A 152 17.525 46.454 -6.989 1.00 24.86 C +ATOM 2413 CG LYS A 152 17.171 46.071 -5.542 1.00 44.06 C +ATOM 2414 CD LYS A 152 17.858 44.767 -5.062 1.00 51.19 C +ATOM 2415 CE LYS A 152 17.170 44.156 -3.808 1.00 43.95 C +ATOM 2416 NZ LYS A 152 17.643 42.742 -3.588 1.00 33.99 N +ATOM 2417 N GLN A 153 15.851 49.388 -7.228 1.00 31.71 N +ATOM 2418 CA GLN A 153 15.254 50.417 -6.382 1.00 32.74 C +ATOM 2419 C GLN A 153 13.736 50.301 -6.292 1.00 33.60 C +ATOM 2420 O GLN A 153 13.156 49.477 -6.977 1.00 30.37 O +ATOM 2421 CB GLN A 153 15.621 51.804 -6.912 1.00 35.66 C +ATOM 2422 CG GLN A 153 16.853 52.369 -6.243 1.00 31.76 C +ATOM 2423 CD GLN A 153 16.565 53.664 -5.498 1.00 24.89 C +ATOM 2424 OE1 GLN A 153 15.467 54.219 -5.549 1.00 26.83 O +ATOM 2425 NE2 GLN A 153 17.564 54.154 -4.810 1.00 28.09 N +ATOM 2426 N PRO A 154 13.095 51.092 -5.396 1.00 33.92 N +ATOM 2427 CA PRO A 154 11.671 51.387 -5.229 1.00 29.65 C +ATOM 2428 C PRO A 154 11.008 52.117 -6.387 1.00 29.84 C +ATOM 2429 O PRO A 154 9.803 52.012 -6.542 1.00 33.82 O +ATOM 2430 CB PRO A 154 11.627 52.170 -3.918 1.00 29.58 C +ATOM 2431 CG PRO A 154 12.696 51.506 -3.145 1.00 30.55 C +ATOM 2432 CD PRO A 154 13.790 51.602 -4.181 1.00 32.15 C +ATOM 2433 N ASP A 155 11.743 52.894 -7.172 1.00 36.54 N +ATOM 2434 CA ASP A 155 11.108 53.607 -8.278 1.00 39.41 C +ATOM 2435 C ASP A 155 11.312 52.905 -9.594 1.00 44.65 C +ATOM 2436 O ASP A 155 11.794 53.532 -10.532 1.00 55.00 O +ATOM 2437 CB ASP A 155 11.651 55.057 -8.394 1.00 35.23 C +ATOM 2438 CG ASP A 155 13.199 55.157 -8.440 1.00 45.04 C +ATOM 2439 OD1 ASP A 155 13.799 55.325 -9.534 1.00 49.19 O +ATOM 2440 OD2 ASP A 155 13.836 55.108 -7.363 1.00 54.84 O +ATOM 2441 N ALA A 156 10.932 51.633 -9.698 1.00 41.20 N +ATOM 2442 CA ALA A 156 11.144 50.906 -10.952 1.00 33.19 C +ATOM 2443 C ALA A 156 9.897 50.144 -11.417 1.00 36.82 C +ATOM 2444 O ALA A 156 9.431 49.203 -10.750 1.00 32.92 O +ATOM 2445 CB ALA A 156 12.297 49.952 -10.765 1.00 33.34 C +ATOM 2446 N MET A 157 9.358 50.572 -12.569 1.00 41.66 N +ATOM 2447 CA MET A 157 8.133 50.009 -13.170 1.00 40.32 C +ATOM 2448 C MET A 157 8.401 48.578 -13.624 1.00 39.27 C +ATOM 2449 O MET A 157 9.527 48.197 -13.989 1.00 32.56 O +ATOM 2450 CB MET A 157 7.686 50.841 -14.392 1.00 42.76 C +ATOM 2451 CG MET A 157 7.654 52.369 -14.203 1.00 49.14 C +ATOM 2452 SD MET A 157 9.253 53.227 -13.703 1.00 55.00 S +ATOM 2453 CE MET A 157 10.081 53.570 -15.281 1.00 48.56 C +ATOM 2454 N THR A 158 7.368 47.763 -13.602 1.00 39.62 N +ATOM 2455 CA THR A 158 7.580 46.393 -14.006 1.00 39.36 C +ATOM 2456 C THR A 158 7.528 46.378 -15.523 1.00 40.49 C +ATOM 2457 O THR A 158 6.862 47.235 -16.122 1.00 36.16 O +ATOM 2458 CB THR A 158 6.476 45.490 -13.373 1.00 44.49 C +ATOM 2459 OG1 THR A 158 6.953 44.144 -13.317 1.00 51.36 O +ATOM 2460 CG2 THR A 158 5.173 45.534 -14.194 1.00 41.81 C +ATOM 2461 N HIS A 159 8.253 45.437 -16.127 1.00 42.96 N +ATOM 2462 CA HIS A 159 8.304 45.249 -17.589 1.00 48.59 C +ATOM 2463 C HIS A 159 8.278 43.738 -17.818 1.00 49.13 C +ATOM 2464 O HIS A 159 8.929 43.018 -17.059 1.00 50.14 O +ATOM 2465 CB HIS A 159 9.610 45.841 -18.175 1.00 46.54 C +ATOM 2466 CG HIS A 159 9.583 46.039 -19.665 1.00 46.42 C +ATOM 2467 ND1 HIS A 159 9.799 45.015 -20.563 1.00 46.94 N +ATOM 2468 CD2 HIS A 159 9.355 47.150 -20.409 1.00 48.30 C +ATOM 2469 CE1 HIS A 159 9.704 45.486 -21.797 1.00 46.22 C +ATOM 2470 NE2 HIS A 159 9.436 46.778 -21.731 1.00 43.60 N +ATOM 2471 N PRO A 160 7.556 43.235 -18.860 1.00 53.19 N +ATOM 2472 CA PRO A 160 7.371 41.790 -19.096 1.00 50.53 C +ATOM 2473 C PRO A 160 8.668 41.047 -18.814 1.00 51.69 C +ATOM 2474 O PRO A 160 8.765 40.152 -17.962 1.00 51.73 O +ATOM 2475 CB PRO A 160 6.896 41.746 -20.546 1.00 44.13 C +ATOM 2476 CG PRO A 160 7.443 43.047 -21.118 1.00 48.96 C +ATOM 2477 CD PRO A 160 6.998 43.964 -20.022 1.00 53.47 C +ATOM 2478 N ASP A 161 9.671 41.470 -19.554 1.00 48.49 N +ATOM 2479 CA ASP A 161 11.005 40.991 -19.361 1.00 45.43 C +ATOM 2480 C ASP A 161 11.787 42.201 -18.837 1.00 42.13 C +ATOM 2481 O ASP A 161 11.593 43.309 -19.356 1.00 48.74 O +ATOM 2482 CB ASP A 161 11.536 40.472 -20.705 1.00 48.50 C +ATOM 2483 CG ASP A 161 11.129 41.336 -21.885 1.00 48.94 C +ATOM 2484 OD1 ASP A 161 12.014 41.980 -22.472 1.00 42.36 O +ATOM 2485 OD2 ASP A 161 9.929 41.360 -22.224 1.00 41.52 O +ATOM 2486 N GLY A 162 12.581 41.987 -17.778 1.00 32.44 N +ATOM 2487 CA GLY A 162 13.418 43.000 -17.144 1.00 21.40 C +ATOM 2488 C GLY A 162 12.679 44.103 -16.395 1.00 25.06 C +ATOM 2489 O GLY A 162 11.441 44.187 -16.350 1.00 15.57 O +ATOM 2490 N MET A 163 13.472 44.972 -15.776 1.00 31.59 N +ATOM 2491 CA MET A 163 12.937 46.121 -15.049 1.00 34.03 C +ATOM 2492 C MET A 163 13.191 47.389 -15.817 1.00 35.97 C +ATOM 2493 O MET A 163 14.298 47.638 -16.326 1.00 40.80 O +ATOM 2494 CB MET A 163 13.581 46.312 -13.682 1.00 36.34 C +ATOM 2495 CG MET A 163 12.606 46.170 -12.539 1.00 42.75 C +ATOM 2496 SD MET A 163 11.898 44.511 -12.485 1.00 44.85 S +ATOM 2497 CE MET A 163 10.341 44.723 -13.380 1.00 44.59 C +ATOM 2498 N GLN A 164 12.135 48.191 -15.877 1.00 32.34 N +ATOM 2499 CA GLN A 164 12.163 49.466 -16.548 1.00 30.00 C +ATOM 2500 C GLN A 164 12.568 50.514 -15.541 1.00 30.25 C +ATOM 2501 O GLN A 164 11.862 50.836 -14.598 1.00 27.76 O +ATOM 2502 CB GLN A 164 10.777 49.784 -17.144 1.00 26.97 C +ATOM 2503 CG GLN A 164 10.654 51.089 -17.914 1.00 24.46 C +ATOM 2504 CD GLN A 164 9.316 51.223 -18.661 1.00 26.88 C +ATOM 2505 OE1 GLN A 164 9.285 51.679 -19.789 1.00 36.11 O +ATOM 2506 NE2 GLN A 164 8.218 50.827 -18.035 1.00 26.58 N +ATOM 2507 N ILE A 165 13.817 50.891 -15.707 1.00 33.93 N +ATOM 2508 CA ILE A 165 14.460 51.984 -15.027 1.00 30.01 C +ATOM 2509 C ILE A 165 14.209 53.253 -15.814 1.00 26.17 C +ATOM 2510 O ILE A 165 14.069 53.159 -17.027 1.00 30.02 O +ATOM 2511 CB ILE A 165 16.008 51.637 -14.897 1.00 16.21 C +ATOM 2512 CG1 ILE A 165 16.215 50.655 -13.739 1.00 17.72 C +ATOM 2513 CG2 ILE A 165 16.807 52.840 -14.690 1.00 25.39 C +ATOM 2514 CD1 ILE A 165 14.924 50.331 -12.907 1.00 23.56 C +ATOM 2515 N LYS A 166 14.064 54.407 -15.200 1.00 25.27 N +ATOM 2516 CA LYS A 166 13.856 55.574 -16.030 1.00 25.89 C +ATOM 2517 C LYS A 166 14.990 56.446 -15.713 1.00 25.73 C +ATOM 2518 O LYS A 166 15.130 56.806 -14.551 1.00 26.84 O +ATOM 2519 CB LYS A 166 12.573 56.348 -15.697 1.00 34.33 C +ATOM 2520 CG LYS A 166 12.441 57.678 -16.513 1.00 43.24 C +ATOM 2521 CD LYS A 166 11.118 58.451 -16.277 1.00 52.65 C +ATOM 2522 CE LYS A 166 10.915 59.594 -17.296 1.00 55.00 C +ATOM 2523 NZ LYS A 166 9.512 60.135 -17.322 1.00 51.57 N +ATOM 2524 N ILE A 167 15.814 56.785 -16.694 1.00 20.18 N +ATOM 2525 CA ILE A 167 16.939 57.579 -16.312 1.00 18.34 C +ATOM 2526 C ILE A 167 17.691 58.175 -17.487 1.00 20.70 C +ATOM 2527 O ILE A 167 17.674 57.689 -18.616 1.00 17.89 O +ATOM 2528 CB ILE A 167 17.896 56.712 -15.454 1.00 14.35 C +ATOM 2529 CG1 ILE A 167 18.695 57.618 -14.517 1.00 16.17 C +ATOM 2530 CG2 ILE A 167 18.846 55.904 -16.370 1.00 22.46 C +ATOM 2531 CD1 ILE A 167 19.575 56.889 -13.562 1.00 13.78 C +ATOM 2532 N THR A 168 18.331 59.265 -17.107 1.00 18.13 N +ATOM 2533 CA THR A 168 19.185 60.155 -17.833 1.00 13.26 C +ATOM 2534 C THR A 168 20.614 59.707 -17.835 1.00 14.87 C +ATOM 2535 O THR A 168 21.246 59.703 -16.796 1.00 23.81 O +ATOM 2536 CB THR A 168 19.086 61.540 -17.203 1.00 23.16 C +ATOM 2537 OG1 THR A 168 17.949 62.214 -17.762 1.00 38.01 O +ATOM 2538 CG2 THR A 168 20.348 62.314 -17.392 1.00 20.68 C +ATOM 2539 N ARG A 169 21.141 59.389 -19.008 1.00 21.98 N +ATOM 2540 CA ARG A 169 22.540 59.005 -19.140 1.00 18.04 C +ATOM 2541 C ARG A 169 23.434 60.011 -18.443 1.00 16.36 C +ATOM 2542 O ARG A 169 24.587 59.706 -18.117 1.00 14.61 O +ATOM 2543 CB ARG A 169 23.004 58.962 -20.595 1.00 8.74 C +ATOM 2544 CG ARG A 169 22.433 57.919 -21.479 1.00 6.00 C +ATOM 2545 CD ARG A 169 22.715 58.307 -22.951 1.00 6.00 C +ATOM 2546 NE ARG A 169 21.892 57.468 -23.816 1.00 7.77 N +ATOM 2547 CZ ARG A 169 20.588 57.338 -23.642 1.00 6.00 C +ATOM 2548 NH1 ARG A 169 20.031 58.007 -22.661 1.00 6.00 N +ATOM 2549 NH2 ARG A 169 19.859 56.504 -24.385 1.00 6.00 N +ATOM 2550 N GLN A 170 22.950 61.232 -18.271 1.00 18.66 N +ATOM 2551 CA GLN A 170 23.787 62.216 -17.617 1.00 19.32 C +ATOM 2552 C GLN A 170 23.887 61.825 -16.170 1.00 16.04 C +ATOM 2553 O GLN A 170 24.968 61.869 -15.605 1.00 7.96 O +ATOM 2554 CB GLN A 170 23.174 63.605 -17.785 1.00 17.52 C +ATOM 2555 CG GLN A 170 24.185 64.624 -18.259 1.00 26.55 C +ATOM 2556 CD GLN A 170 23.535 65.750 -19.049 1.00 26.12 C +ATOM 2557 OE1 GLN A 170 24.015 66.129 -20.120 1.00 36.57 O +ATOM 2558 NE2 GLN A 170 22.432 66.280 -18.539 1.00 26.93 N +ATOM 2559 N GLU A 171 22.761 61.372 -15.622 1.00 7.44 N +ATOM 2560 CA GLU A 171 22.693 60.893 -14.221 1.00 18.12 C +ATOM 2561 C GLU A 171 23.642 59.718 -13.941 1.00 12.67 C +ATOM 2562 O GLU A 171 24.474 59.795 -13.012 1.00 13.40 O +ATOM 2563 CB GLU A 171 21.271 60.455 -13.865 1.00 20.27 C +ATOM 2564 CG GLU A 171 20.401 61.583 -13.325 1.00 23.57 C +ATOM 2565 CD GLU A 171 19.830 61.251 -11.946 1.00 26.74 C +ATOM 2566 OE1 GLU A 171 20.507 61.484 -10.910 1.00 13.87 O +ATOM 2567 OE2 GLU A 171 18.688 60.746 -11.920 1.00 18.20 O +ATOM 2568 N ILE A 172 23.545 58.663 -14.761 1.00 12.53 N +ATOM 2569 CA ILE A 172 24.439 57.511 -14.631 1.00 8.09 C +ATOM 2570 C ILE A 172 25.876 58.025 -14.643 1.00 6.83 C +ATOM 2571 O ILE A 172 26.688 57.567 -13.846 1.00 12.67 O +ATOM 2572 CB ILE A 172 24.195 56.509 -15.807 1.00 10.79 C +ATOM 2573 CG1 ILE A 172 22.734 56.026 -15.754 1.00 7.15 C +ATOM 2574 CG2 ILE A 172 25.138 55.344 -15.714 1.00 9.56 C +ATOM 2575 CD1 ILE A 172 22.290 55.160 -16.904 1.00 13.88 C +ATOM 2576 N GLY A 173 26.196 58.987 -15.510 1.00 6.00 N +ATOM 2577 CA GLY A 173 27.541 59.524 -15.515 1.00 10.97 C +ATOM 2578 C GLY A 173 27.888 60.109 -14.136 1.00 19.70 C +ATOM 2579 O GLY A 173 29.047 60.044 -13.711 1.00 32.24 O +ATOM 2580 N GLN A 174 26.907 60.666 -13.418 1.00 22.34 N +ATOM 2581 CA GLN A 174 27.147 61.287 -12.097 1.00 21.92 C +ATOM 2582 C GLN A 174 27.317 60.271 -10.966 1.00 15.93 C +ATOM 2583 O GLN A 174 28.267 60.352 -10.178 1.00 14.99 O +ATOM 2584 CB GLN A 174 25.989 62.236 -11.786 1.00 24.14 C +ATOM 2585 CG GLN A 174 26.065 63.553 -12.562 1.00 13.84 C +ATOM 2586 CD GLN A 174 24.789 64.325 -12.500 1.00 15.12 C +ATOM 2587 OE1 GLN A 174 24.589 65.205 -13.309 1.00 15.50 O +ATOM 2588 NE2 GLN A 174 23.899 63.993 -11.546 1.00 15.00 N +ATOM 2589 N ILE A 175 26.350 59.371 -10.883 1.00 6.00 N +ATOM 2590 CA ILE A 175 26.363 58.226 -10.007 1.00 7.48 C +ATOM 2591 C ILE A 175 27.693 57.493 -10.048 1.00 9.42 C +ATOM 2592 O ILE A 175 28.284 57.182 -9.018 1.00 12.89 O +ATOM 2593 CB ILE A 175 25.309 57.227 -10.428 1.00 6.00 C +ATOM 2594 CG1 ILE A 175 23.966 57.855 -10.167 1.00 6.00 C +ATOM 2595 CG2 ILE A 175 25.572 55.894 -9.797 1.00 6.00 C +ATOM 2596 CD1 ILE A 175 22.901 56.851 -10.203 1.00 6.00 C +ATOM 2597 N VAL A 176 28.158 57.244 -11.274 1.00 12.72 N +ATOM 2598 CA VAL A 176 29.333 56.405 -11.608 1.00 6.00 C +ATOM 2599 C VAL A 176 30.667 57.046 -11.707 1.00 7.40 C +ATOM 2600 O VAL A 176 31.679 56.356 -11.648 1.00 6.81 O +ATOM 2601 CB VAL A 176 29.042 55.674 -12.925 1.00 10.22 C +ATOM 2602 CG1 VAL A 176 30.227 55.831 -13.922 1.00 6.14 C +ATOM 2603 CG2 VAL A 176 28.682 54.230 -12.573 1.00 6.00 C +ATOM 2604 N GLY A 177 30.711 58.337 -11.921 1.00 8.35 N +ATOM 2605 CA GLY A 177 32.028 58.929 -12.011 1.00 11.15 C +ATOM 2606 C GLY A 177 32.599 58.900 -13.408 1.00 6.33 C +ATOM 2607 O GLY A 177 33.790 58.760 -13.603 1.00 7.01 O +ATOM 2608 N CYS A 178 31.772 59.020 -14.412 1.00 8.26 N +ATOM 2609 CA CYS A 178 32.358 59.093 -15.751 1.00 15.38 C +ATOM 2610 C CYS A 178 31.576 60.203 -16.464 1.00 12.90 C +ATOM 2611 O CYS A 178 30.608 60.673 -15.900 1.00 6.00 O +ATOM 2612 CB CYS A 178 32.236 57.715 -16.523 1.00 6.00 C +ATOM 2613 SG CYS A 178 30.650 56.957 -16.996 1.00 19.10 S +ATOM 2614 N SER A 179 32.003 60.628 -17.648 1.00 8.00 N +ATOM 2615 CA SER A 179 31.352 61.671 -18.396 1.00 6.00 C +ATOM 2616 C SER A 179 30.185 61.112 -19.151 1.00 6.60 C +ATOM 2617 O SER A 179 30.175 59.918 -19.426 1.00 17.73 O +ATOM 2618 CB SER A 179 32.303 62.264 -19.390 1.00 18.18 C +ATOM 2619 OG SER A 179 32.516 61.277 -20.386 1.00 23.24 O +ATOM 2620 N ARG A 180 29.269 61.998 -19.557 1.00 13.27 N +ATOM 2621 CA ARG A 180 28.047 61.669 -20.303 1.00 15.09 C +ATOM 2622 C ARG A 180 28.262 60.753 -21.518 1.00 19.25 C +ATOM 2623 O ARG A 180 27.488 59.826 -21.723 1.00 16.65 O +ATOM 2624 CB ARG A 180 27.356 62.934 -20.844 1.00 19.50 C +ATOM 2625 CG ARG A 180 25.945 62.634 -21.470 1.00 32.19 C +ATOM 2626 CD ARG A 180 25.124 63.771 -22.233 1.00 14.42 C +ATOM 2627 NE ARG A 180 25.696 64.147 -23.519 1.00 15.89 N +ATOM 2628 CZ ARG A 180 26.712 64.998 -23.669 1.00 21.82 C +ATOM 2629 NH1 ARG A 180 27.274 65.576 -22.605 1.00 21.19 N +ATOM 2630 NH2 ARG A 180 27.198 65.242 -24.891 1.00 11.64 N +ATOM 2631 N GLU A 181 29.302 61.006 -22.316 1.00 12.92 N +ATOM 2632 CA GLU A 181 29.468 60.245 -23.554 1.00 19.53 C +ATOM 2633 C GLU A 181 29.836 58.822 -23.324 1.00 20.20 C +ATOM 2634 O GLU A 181 29.337 57.940 -24.058 1.00 15.29 O +ATOM 2635 CB GLU A 181 30.547 60.829 -24.466 1.00 7.71 C +ATOM 2636 CG GLU A 181 30.299 62.225 -24.954 1.00 19.11 C +ATOM 2637 CD GLU A 181 30.716 63.312 -23.973 1.00 19.51 C +ATOM 2638 OE1 GLU A 181 31.178 63.065 -22.842 1.00 18.05 O +ATOM 2639 OE2 GLU A 181 30.564 64.468 -24.373 1.00 15.90 O +ATOM 2640 N THR A 182 30.745 58.608 -22.368 1.00 16.75 N +ATOM 2641 CA THR A 182 31.155 57.277 -22.011 1.00 11.14 C +ATOM 2642 C THR A 182 29.892 56.470 -21.708 1.00 6.71 C +ATOM 2643 O THR A 182 29.692 55.371 -22.213 1.00 17.80 O +ATOM 2644 CB THR A 182 32.061 57.319 -20.783 1.00 20.51 C +ATOM 2645 OG1 THR A 182 33.305 57.900 -21.163 1.00 16.04 O +ATOM 2646 CG2 THR A 182 32.362 55.907 -20.251 1.00 20.78 C +ATOM 2647 N VAL A 183 28.990 56.996 -20.908 1.00 8.47 N +ATOM 2648 CA VAL A 183 27.783 56.212 -20.644 1.00 8.53 C +ATOM 2649 C VAL A 183 27.047 55.836 -21.945 1.00 12.75 C +ATOM 2650 O VAL A 183 26.710 54.681 -22.146 1.00 24.82 O +ATOM 2651 CB VAL A 183 26.863 57.027 -19.717 1.00 16.54 C +ATOM 2652 CG1 VAL A 183 25.521 56.350 -19.529 1.00 9.01 C +ATOM 2653 CG2 VAL A 183 27.594 57.204 -18.384 1.00 12.77 C +ATOM 2654 N GLY A 184 26.854 56.800 -22.840 1.00 10.94 N +ATOM 2655 CA GLY A 184 26.093 56.595 -24.060 1.00 12.64 C +ATOM 2656 C GLY A 184 26.602 55.435 -24.863 1.00 15.65 C +ATOM 2657 O GLY A 184 25.821 54.604 -25.353 1.00 21.22 O +ATOM 2658 N ARG A 185 27.924 55.399 -24.981 1.00 18.79 N +ATOM 2659 CA ARG A 185 28.606 54.355 -25.706 1.00 20.58 C +ATOM 2660 C ARG A 185 28.425 53.024 -25.095 1.00 20.32 C +ATOM 2661 O ARG A 185 28.023 52.119 -25.791 1.00 24.49 O +ATOM 2662 CB ARG A 185 30.093 54.642 -25.786 1.00 26.61 C +ATOM 2663 CG ARG A 185 30.390 55.638 -26.883 1.00 30.04 C +ATOM 2664 CD ARG A 185 31.542 56.448 -26.507 1.00 31.45 C +ATOM 2665 NE ARG A 185 31.848 57.444 -27.510 1.00 36.34 N +ATOM 2666 CZ ARG A 185 32.635 58.474 -27.234 1.00 36.77 C +ATOM 2667 NH1 ARG A 185 32.902 59.354 -28.179 1.00 38.70 N +ATOM 2668 NH2 ARG A 185 33.123 58.633 -25.998 1.00 33.17 N +ATOM 2669 N ILE A 186 28.725 52.916 -23.800 1.00 15.33 N +ATOM 2670 CA ILE A 186 28.659 51.645 -23.090 1.00 10.88 C +ATOM 2671 C ILE A 186 27.267 51.119 -23.198 1.00 7.58 C +ATOM 2672 O ILE A 186 27.046 49.959 -23.476 1.00 11.08 O +ATOM 2673 CB ILE A 186 28.965 51.761 -21.573 1.00 16.96 C +ATOM 2674 CG1 ILE A 186 30.354 52.376 -21.298 1.00 14.97 C +ATOM 2675 CG2 ILE A 186 28.878 50.371 -20.991 1.00 14.06 C +ATOM 2676 CD1 ILE A 186 31.581 51.511 -21.684 1.00 25.24 C +ATOM 2677 N LEU A 187 26.318 52.007 -22.979 1.00 8.42 N +ATOM 2678 CA LEU A 187 24.919 51.654 -23.011 1.00 11.91 C +ATOM 2679 C LEU A 187 24.584 51.006 -24.336 1.00 16.01 C +ATOM 2680 O LEU A 187 23.778 50.071 -24.383 1.00 19.51 O +ATOM 2681 CB LEU A 187 24.068 52.916 -22.807 1.00 15.79 C +ATOM 2682 CG LEU A 187 23.109 53.002 -21.630 1.00 13.01 C +ATOM 2683 CD1 LEU A 187 23.912 53.154 -20.395 1.00 11.11 C +ATOM 2684 CD2 LEU A 187 22.138 54.159 -21.812 1.00 7.64 C +ATOM 2685 N LYS A 188 25.187 51.543 -25.409 1.00 30.17 N +ATOM 2686 CA LYS A 188 25.034 51.061 -26.791 1.00 34.60 C +ATOM 2687 C LYS A 188 25.583 49.621 -26.887 1.00 33.97 C +ATOM 2688 O LYS A 188 24.856 48.695 -27.266 1.00 34.67 O +ATOM 2689 CB LYS A 188 25.810 51.985 -27.730 1.00 37.75 C +ATOM 2690 CG LYS A 188 25.101 52.351 -29.020 1.00 48.70 C +ATOM 2691 CD LYS A 188 25.928 53.400 -29.790 1.00 55.00 C +ATOM 2692 CE LYS A 188 26.118 54.709 -28.991 1.00 52.68 C +ATOM 2693 NZ LYS A 188 26.995 55.698 -29.680 1.00 47.03 N +ATOM 2694 N MET A 189 26.856 49.456 -26.522 1.00 22.90 N +ATOM 2695 CA MET A 189 27.534 48.157 -26.483 1.00 22.26 C +ATOM 2696 C MET A 189 26.643 47.093 -25.810 1.00 25.82 C +ATOM 2697 O MET A 189 26.380 46.045 -26.406 1.00 31.82 O +ATOM 2698 CB MET A 189 28.843 48.326 -25.720 1.00 18.51 C +ATOM 2699 CG MET A 189 30.031 47.529 -26.237 1.00 21.59 C +ATOM 2700 SD MET A 189 31.599 48.175 -25.520 1.00 32.16 S +ATOM 2701 CE MET A 189 32.785 47.038 -26.205 1.00 27.39 C +ATOM 2702 N LEU A 190 26.143 47.379 -24.604 1.00 22.69 N +ATOM 2703 CA LEU A 190 25.262 46.472 -23.852 1.00 18.50 C +ATOM 2704 C LEU A 190 24.003 46.110 -24.597 1.00 19.01 C +ATOM 2705 O LEU A 190 23.480 45.016 -24.464 1.00 20.28 O +ATOM 2706 CB LEU A 190 24.901 47.119 -22.522 1.00 12.97 C +ATOM 2707 CG LEU A 190 26.079 47.008 -21.562 1.00 14.05 C +ATOM 2708 CD1 LEU A 190 26.399 48.283 -20.799 1.00 11.88 C +ATOM 2709 CD2 LEU A 190 25.707 45.862 -20.684 1.00 19.02 C +ATOM 2710 N GLU A 191 23.485 47.040 -25.369 1.00 27.73 N +ATOM 2711 CA GLU A 191 22.298 46.729 -26.135 1.00 30.40 C +ATOM 2712 C GLU A 191 22.707 45.788 -27.271 1.00 28.65 C +ATOM 2713 O GLU A 191 22.086 44.765 -27.474 1.00 33.58 O +ATOM 2714 CB GLU A 191 21.686 48.020 -26.691 1.00 25.77 C +ATOM 2715 CG GLU A 191 20.186 47.905 -26.960 1.00 19.87 C +ATOM 2716 CD GLU A 191 19.535 49.247 -27.251 1.00 28.45 C +ATOM 2717 OE1 GLU A 191 18.290 49.252 -27.321 1.00 28.93 O +ATOM 2718 OE2 GLU A 191 20.251 50.279 -27.403 1.00 32.26 O +ATOM 2719 N ASP A 192 23.761 46.117 -27.999 1.00 15.74 N +ATOM 2720 CA ASP A 192 24.233 45.236 -29.046 1.00 15.17 C +ATOM 2721 C ASP A 192 24.372 43.808 -28.520 1.00 21.74 C +ATOM 2722 O ASP A 192 24.078 42.866 -29.249 1.00 30.73 O +ATOM 2723 CB ASP A 192 25.594 45.687 -29.566 1.00 24.25 C +ATOM 2724 CG ASP A 192 25.538 47.034 -30.254 1.00 36.14 C +ATOM 2725 OD1 ASP A 192 24.445 47.423 -30.713 1.00 36.88 O +ATOM 2726 OD2 ASP A 192 26.593 47.706 -30.346 1.00 44.01 O +ATOM 2727 N GLN A 193 24.844 43.632 -27.280 1.00 19.56 N +ATOM 2728 CA GLN A 193 24.984 42.279 -26.712 1.00 10.28 C +ATOM 2729 C GLN A 193 23.640 41.714 -26.327 1.00 11.96 C +ATOM 2730 O GLN A 193 23.527 40.537 -26.021 1.00 16.64 O +ATOM 2731 CB GLN A 193 25.870 42.284 -25.476 1.00 9.30 C +ATOM 2732 CG GLN A 193 27.345 42.580 -25.736 1.00 10.66 C +ATOM 2733 CD GLN A 193 28.131 42.582 -24.419 1.00 24.50 C +ATOM 2734 OE1 GLN A 193 28.675 43.604 -24.022 1.00 30.40 O +ATOM 2735 NE2 GLN A 193 28.181 41.446 -23.739 1.00 25.74 N +ATOM 2736 N ASN A 194 22.641 42.582 -26.326 1.00 6.00 N +ATOM 2737 CA ASN A 194 21.233 42.279 -26.054 1.00 13.25 C +ATOM 2738 C ASN A 194 20.955 42.179 -24.560 1.00 18.36 C +ATOM 2739 O ASN A 194 20.029 41.482 -24.131 1.00 32.17 O +ATOM 2740 CB ASN A 194 20.818 40.954 -26.727 1.00 27.73 C +ATOM 2741 CG ASN A 194 21.199 40.871 -28.230 1.00 44.19 C +ATOM 2742 OD1 ASN A 194 20.868 41.744 -29.030 1.00 50.76 O +ATOM 2743 ND2 ASN A 194 21.889 39.786 -28.609 1.00 55.00 N +ATOM 2744 N LEU A 195 21.744 42.887 -23.755 1.00 13.17 N +ATOM 2745 CA LEU A 195 21.591 42.850 -22.302 1.00 14.94 C +ATOM 2746 C LEU A 195 20.598 43.877 -21.746 1.00 18.36 C +ATOM 2747 O LEU A 195 20.198 43.770 -20.601 1.00 14.45 O +ATOM 2748 CB LEU A 195 22.973 43.045 -21.640 1.00 11.28 C +ATOM 2749 CG LEU A 195 23.847 41.776 -21.746 1.00 9.83 C +ATOM 2750 CD1 LEU A 195 25.158 42.059 -21.127 1.00 6.00 C +ATOM 2751 CD2 LEU A 195 23.211 40.584 -21.027 1.00 7.24 C +ATOM 2752 N ILE A 196 20.193 44.862 -22.543 1.00 31.48 N +ATOM 2753 CA ILE A 196 19.250 45.918 -22.120 1.00 27.12 C +ATOM 2754 C ILE A 196 18.582 46.506 -23.365 1.00 26.51 C +ATOM 2755 O ILE A 196 18.933 46.125 -24.472 1.00 20.22 O +ATOM 2756 CB ILE A 196 19.975 47.111 -21.381 1.00 19.68 C +ATOM 2757 CG1 ILE A 196 20.829 47.921 -22.363 1.00 13.37 C +ATOM 2758 CG2 ILE A 196 20.928 46.580 -20.332 1.00 18.05 C +ATOM 2759 CD1 ILE A 196 21.673 49.028 -21.682 1.00 11.77 C +ATOM 2760 N SER A 197 17.603 47.382 -23.206 1.00 24.29 N +ATOM 2761 CA SER A 197 17.077 48.100 -24.354 1.00 20.89 C +ATOM 2762 C SER A 197 16.804 49.468 -23.793 1.00 24.85 C +ATOM 2763 O SER A 197 16.241 49.606 -22.705 1.00 23.41 O +ATOM 2764 CB SER A 197 15.795 47.473 -24.885 1.00 12.72 C +ATOM 2765 OG SER A 197 14.734 47.643 -23.993 1.00 16.09 O +ATOM 2766 N ALA A 198 17.239 50.475 -24.526 1.00 31.93 N +ATOM 2767 CA ALA A 198 17.156 51.854 -24.072 1.00 30.93 C +ATOM 2768 C ALA A 198 16.503 52.786 -25.069 1.00 29.93 C +ATOM 2769 O ALA A 198 16.359 52.447 -26.216 1.00 33.61 O +ATOM 2770 CB ALA A 198 18.545 52.337 -23.776 1.00 30.54 C +ATOM 2771 N HIS A 199 16.159 53.990 -24.624 1.00 38.11 N +ATOM 2772 CA HIS A 199 15.483 55.008 -25.451 1.00 36.12 C +ATOM 2773 C HIS A 199 14.906 56.079 -24.477 1.00 35.84 C +ATOM 2774 O HIS A 199 13.855 56.647 -24.726 1.00 34.63 O +ATOM 2775 CB HIS A 199 14.393 54.274 -26.239 1.00 38.64 C +ATOM 2776 CG HIS A 199 13.387 55.160 -26.881 1.00 50.54 C +ATOM 2777 ND1 HIS A 199 12.048 55.106 -26.558 1.00 47.44 N +ATOM 2778 CD2 HIS A 199 13.516 56.141 -27.809 1.00 50.46 C +ATOM 2779 CE1 HIS A 199 11.387 56.013 -27.252 1.00 50.90 C +ATOM 2780 NE2 HIS A 199 12.257 56.653 -28.018 1.00 53.55 N +ATOM 2781 N GLY A 200 15.633 56.361 -23.393 1.00 40.60 N +ATOM 2782 CA GLY A 200 15.180 57.237 -22.306 1.00 38.26 C +ATOM 2783 C GLY A 200 14.804 56.313 -21.127 1.00 39.05 C +ATOM 2784 O GLY A 200 15.325 56.376 -19.982 1.00 22.50 O +ATOM 2785 N LYS A 201 13.834 55.449 -21.403 1.00 40.63 N +ATOM 2786 CA LYS A 201 13.513 54.431 -20.435 1.00 39.59 C +ATOM 2787 C LYS A 201 14.408 53.265 -20.819 1.00 36.65 C +ATOM 2788 O LYS A 201 14.655 53.040 -21.996 1.00 41.86 O +ATOM 2789 CB LYS A 201 12.014 54.072 -20.514 1.00 37.87 C +ATOM 2790 CG LYS A 201 11.402 53.850 -21.875 1.00 38.90 C +ATOM 2791 CD LYS A 201 11.902 52.585 -22.569 1.00 43.23 C +ATOM 2792 CE LYS A 201 11.087 52.226 -23.844 1.00 44.23 C +ATOM 2793 NZ LYS A 201 11.620 50.970 -24.482 1.00 41.29 N +ATOM 2794 N THR A 202 14.944 52.558 -19.840 1.00 28.72 N +ATOM 2795 CA THR A 202 15.822 51.453 -20.150 1.00 19.94 C +ATOM 2796 C THR A 202 15.253 50.205 -19.575 1.00 18.34 C +ATOM 2797 O THR A 202 14.516 50.265 -18.598 1.00 18.19 O +ATOM 2798 CB THR A 202 17.185 51.635 -19.551 1.00 18.10 C +ATOM 2799 OG1 THR A 202 17.719 52.896 -19.955 1.00 22.06 O +ATOM 2800 CG2 THR A 202 18.123 50.582 -20.051 1.00 16.92 C +ATOM 2801 N ILE A 203 15.571 49.082 -20.193 1.00 12.33 N +ATOM 2802 CA ILE A 203 15.131 47.801 -19.689 1.00 17.49 C +ATOM 2803 C ILE A 203 16.394 47.051 -19.385 1.00 20.87 C +ATOM 2804 O ILE A 203 17.320 47.026 -20.205 1.00 25.38 O +ATOM 2805 CB ILE A 203 14.324 46.957 -20.731 1.00 30.93 C +ATOM 2806 CG1 ILE A 203 12.945 47.573 -20.950 1.00 29.56 C +ATOM 2807 CG2 ILE A 203 14.214 45.513 -20.253 1.00 29.31 C +ATOM 2808 CD1 ILE A 203 12.963 48.788 -21.845 1.00 39.12 C +ATOM 2809 N VAL A 204 16.475 46.493 -18.189 1.00 22.88 N +ATOM 2810 CA VAL A 204 17.632 45.693 -17.845 1.00 19.38 C +ATOM 2811 C VAL A 204 17.099 44.261 -18.011 1.00 24.35 C +ATOM 2812 O VAL A 204 15.936 43.974 -17.640 1.00 14.54 O +ATOM 2813 CB VAL A 204 18.048 45.966 -16.394 1.00 18.13 C +ATOM 2814 CG1 VAL A 204 19.384 45.296 -16.098 1.00 21.20 C +ATOM 2815 CG2 VAL A 204 18.130 47.463 -16.174 1.00 29.06 C +ATOM 2816 N VAL A 205 17.949 43.395 -18.564 1.00 26.57 N +ATOM 2817 CA VAL A 205 17.664 41.974 -18.886 1.00 29.35 C +ATOM 2818 C VAL A 205 17.006 41.936 -20.263 1.00 30.49 C +ATOM 2819 O VAL A 205 15.794 42.006 -20.424 1.00 24.27 O +ATOM 2820 CB VAL A 205 16.729 41.301 -17.811 1.00 27.54 C +ATOM 2821 CG1 VAL A 205 16.268 39.902 -18.225 1.00 28.28 C +ATOM 2822 CG2 VAL A 205 17.522 41.095 -16.563 1.00 34.11 C +ATOM 2823 N TYR A 206 17.893 41.873 -21.254 1.00 37.63 N +ATOM 2824 CA TYR A 206 17.576 41.828 -22.675 1.00 43.47 C +ATOM 2825 C TYR A 206 16.423 42.716 -23.135 1.00 48.68 C +ATOM 2826 O TYR A 206 15.748 43.405 -22.345 1.00 48.78 O +ATOM 2827 CB TYR A 206 17.299 40.342 -23.109 1.00 55.00 C +ATOM 2828 CG TYR A 206 15.950 39.653 -22.778 1.00 55.00 C +ATOM 2829 CD1 TYR A 206 15.838 38.702 -21.750 1.00 55.00 C +ATOM 2830 CD2 TYR A 206 14.797 39.941 -23.516 1.00 55.00 C +ATOM 2831 CE1 TYR A 206 14.603 38.048 -21.479 1.00 54.50 C +ATOM 2832 CE2 TYR A 206 13.568 39.302 -23.258 1.00 55.00 C +ATOM 2833 CZ TYR A 206 13.467 38.360 -22.242 1.00 55.00 C +ATOM 2834 OH TYR A 206 12.219 37.750 -22.026 1.00 55.00 O +ATOM 2835 N GLY A 207 16.218 42.703 -24.439 1.00 50.28 N +ATOM 2836 CA GLY A 207 15.171 43.510 -25.023 1.00 48.38 C +ATOM 2837 C GLY A 207 15.777 44.266 -26.180 1.00 48.90 C +ATOM 2838 O GLY A 207 15.061 45.093 -26.801 1.00 48.99 O +TER 2839 GLY A 207 +ATOM 2840 N PRO B 9 32.458 55.919 32.757 1.00 37.76 N +ATOM 2841 CA PRO B 9 31.061 56.308 33.040 1.00 42.32 C +ATOM 2842 C PRO B 9 30.110 55.175 32.674 1.00 42.87 C +ATOM 2843 O PRO B 9 29.905 54.235 33.456 1.00 39.62 O +ATOM 2844 CB PRO B 9 30.821 57.571 32.223 1.00 40.69 C +ATOM 2845 CG PRO B 9 31.619 57.247 30.946 1.00 41.95 C +ATOM 2846 CD PRO B 9 32.907 56.647 31.525 1.00 43.10 C +ATOM 2847 N THR B 10 29.529 55.270 31.484 1.00 43.95 N +ATOM 2848 CA THR B 10 28.632 54.234 30.999 1.00 40.86 C +ATOM 2849 C THR B 10 29.481 53.006 30.641 1.00 36.55 C +ATOM 2850 O THR B 10 29.137 51.878 30.967 1.00 34.19 O +ATOM 2851 CB THR B 10 27.857 54.711 29.715 1.00 40.48 C +ATOM 2852 OG1 THR B 10 27.258 55.990 29.938 1.00 35.33 O +ATOM 2853 CG2 THR B 10 26.755 53.755 29.376 1.00 34.81 C +ATOM 2854 N LEU B 11 30.621 53.270 30.002 1.00 33.11 N +ATOM 2855 CA LEU B 11 31.501 52.225 29.469 1.00 36.38 C +ATOM 2856 C LEU B 11 31.904 51.108 30.418 1.00 38.94 C +ATOM 2857 O LEU B 11 32.097 49.996 29.943 1.00 33.94 O +ATOM 2858 CB LEU B 11 32.805 52.824 28.912 1.00 27.13 C +ATOM 2859 CG LEU B 11 32.748 53.835 27.772 1.00 23.02 C +ATOM 2860 CD1 LEU B 11 34.161 53.918 27.222 1.00 27.23 C +ATOM 2861 CD2 LEU B 11 31.807 53.430 26.663 1.00 6.56 C +ATOM 2862 N GLU B 12 32.042 51.370 31.723 1.00 44.43 N +ATOM 2863 CA GLU B 12 32.478 50.310 32.626 1.00 40.52 C +ATOM 2864 C GLU B 12 31.400 49.304 32.887 1.00 33.49 C +ATOM 2865 O GLU B 12 31.705 48.116 32.899 1.00 36.19 O +ATOM 2866 CB GLU B 12 32.976 50.894 33.965 1.00 46.70 C +ATOM 2867 CG GLU B 12 34.478 51.375 33.932 1.00 47.64 C +ATOM 2868 CD GLU B 12 35.526 50.240 33.665 1.00 51.36 C +ATOM 2869 OE1 GLU B 12 35.124 49.076 33.400 1.00 52.48 O +ATOM 2870 OE2 GLU B 12 36.759 50.496 33.726 1.00 50.54 O +ATOM 2871 N TRP B 13 30.156 49.725 33.083 1.00 25.07 N +ATOM 2872 CA TRP B 13 29.129 48.710 33.260 1.00 27.05 C +ATOM 2873 C TRP B 13 29.084 47.877 31.964 1.00 31.78 C +ATOM 2874 O TRP B 13 28.862 46.654 31.996 1.00 37.55 O +ATOM 2875 CB TRP B 13 27.762 49.348 33.511 1.00 26.56 C +ATOM 2876 CG TRP B 13 26.905 49.489 32.315 1.00 29.30 C +ATOM 2877 CD1 TRP B 13 27.130 50.276 31.229 1.00 27.96 C +ATOM 2878 CD2 TRP B 13 25.660 48.824 32.077 1.00 30.19 C +ATOM 2879 NE1 TRP B 13 26.103 50.154 30.317 1.00 27.93 N +ATOM 2880 CE2 TRP B 13 25.183 49.269 30.810 1.00 39.66 C +ATOM 2881 CE3 TRP B 13 24.896 47.899 32.806 1.00 27.46 C +ATOM 2882 CZ2 TRP B 13 23.972 48.819 30.253 1.00 42.68 C +ATOM 2883 CZ3 TRP B 13 23.690 47.449 32.256 1.00 35.10 C +ATOM 2884 CH2 TRP B 13 23.243 47.913 30.988 1.00 43.87 C +ATOM 2885 N PHE B 14 29.297 48.558 30.826 1.00 38.54 N +ATOM 2886 CA PHE B 14 29.356 47.941 29.480 1.00 28.83 C +ATOM 2887 C PHE B 14 30.544 47.004 29.408 1.00 27.84 C +ATOM 2888 O PHE B 14 30.401 45.804 29.175 1.00 28.90 O +ATOM 2889 CB PHE B 14 29.518 49.032 28.378 1.00 30.58 C +ATOM 2890 CG PHE B 14 29.981 48.524 26.987 1.00 19.41 C +ATOM 2891 CD1 PHE B 14 29.073 48.013 26.063 1.00 17.79 C +ATOM 2892 CD2 PHE B 14 31.321 48.543 26.652 1.00 13.08 C +ATOM 2893 CE1 PHE B 14 29.489 47.537 24.866 1.00 14.72 C +ATOM 2894 CE2 PHE B 14 31.736 48.073 25.472 1.00 13.06 C +ATOM 2895 CZ PHE B 14 30.811 47.558 24.566 1.00 16.63 C +ATOM 2896 N LEU B 15 31.710 47.570 29.681 1.00 17.39 N +ATOM 2897 CA LEU B 15 32.948 46.865 29.526 1.00 22.60 C +ATOM 2898 C LEU B 15 33.068 45.781 30.536 1.00 24.82 C +ATOM 2899 O LEU B 15 34.022 45.025 30.483 1.00 33.60 O +ATOM 2900 CB LEU B 15 34.126 47.861 29.642 1.00 39.70 C +ATOM 2901 CG LEU B 15 35.397 47.719 28.729 1.00 53.90 C +ATOM 2902 CD1 LEU B 15 36.286 48.993 28.907 1.00 50.82 C +ATOM 2903 CD2 LEU B 15 36.197 46.417 29.087 1.00 54.49 C +ATOM 2904 N SER B 16 32.118 45.699 31.465 1.00 37.79 N +ATOM 2905 CA SER B 16 32.175 44.635 32.463 1.00 39.52 C +ATOM 2906 C SER B 16 31.641 43.343 31.842 1.00 37.51 C +ATOM 2907 O SER B 16 32.288 42.302 31.899 1.00 39.32 O +ATOM 2908 CB SER B 16 31.343 45.027 33.740 1.00 41.54 C +ATOM 2909 OG SER B 16 29.903 45.029 33.661 1.00 27.56 O +ATOM 2910 N HIS B 17 30.493 43.437 31.192 1.00 34.03 N +ATOM 2911 CA HIS B 17 29.834 42.292 30.577 1.00 34.83 C +ATOM 2912 C HIS B 17 30.555 41.664 29.381 1.00 35.60 C +ATOM 2913 O HIS B 17 30.018 40.742 28.757 1.00 36.69 O +ATOM 2914 CB HIS B 17 28.434 42.704 30.129 1.00 37.55 C +ATOM 2915 CG HIS B 17 27.521 43.070 31.257 1.00 47.45 C +ATOM 2916 ND1 HIS B 17 27.926 43.843 32.328 1.00 41.72 N +ATOM 2917 CD2 HIS B 17 26.220 42.758 31.484 1.00 47.41 C +ATOM 2918 CE1 HIS B 17 26.913 43.988 33.165 1.00 44.66 C +ATOM 2919 NE2 HIS B 17 25.867 43.340 32.677 1.00 36.89 N +ATOM 2920 N CYS B 18 31.743 42.135 29.029 1.00 35.27 N +ATOM 2921 CA CYS B 18 32.412 41.573 27.848 1.00 41.77 C +ATOM 2922 C CYS B 18 33.527 40.563 28.133 1.00 36.56 C +ATOM 2923 O CYS B 18 34.124 40.568 29.207 1.00 37.26 O +ATOM 2924 CB CYS B 18 33.034 42.693 26.979 1.00 49.42 C +ATOM 2925 SG CYS B 18 31.923 43.822 26.055 1.00 41.66 S +ATOM 2926 N HIS B 19 33.803 39.694 27.162 1.00 25.23 N +ATOM 2927 CA HIS B 19 34.932 38.799 27.287 1.00 22.22 C +ATOM 2928 C HIS B 19 36.066 39.503 26.587 1.00 21.14 C +ATOM 2929 O HIS B 19 35.923 39.970 25.462 1.00 34.45 O +ATOM 2930 CB HIS B 19 34.524 37.484 26.671 1.00 16.66 C +ATOM 2931 CG HIS B 19 33.458 36.834 27.491 1.00 31.62 C +ATOM 2932 ND1 HIS B 19 32.145 37.253 27.463 1.00 34.38 N +ATOM 2933 CD2 HIS B 19 33.520 35.863 28.430 1.00 27.12 C +ATOM 2934 CE1 HIS B 19 31.444 36.573 28.356 1.00 27.90 C +ATOM 2935 NE2 HIS B 19 32.255 35.726 28.954 1.00 23.94 N +ATOM 2936 N ILE B 20 37.188 39.622 27.257 1.00 13.35 N +ATOM 2937 CA ILE B 20 38.245 40.424 26.695 1.00 10.09 C +ATOM 2938 C ILE B 20 39.350 39.611 26.046 1.00 15.22 C +ATOM 2939 O ILE B 20 39.764 38.631 26.663 1.00 20.27 O +ATOM 2940 CB ILE B 20 38.849 41.299 27.802 1.00 14.23 C +ATOM 2941 CG1 ILE B 20 37.699 41.896 28.659 1.00 16.48 C +ATOM 2942 CG2 ILE B 20 39.787 42.345 27.166 1.00 12.88 C +ATOM 2943 CD1 ILE B 20 36.555 42.638 27.965 1.00 16.05 C +ATOM 2944 N HIS B 21 39.869 40.024 24.862 1.00 14.39 N +ATOM 2945 CA HIS B 21 40.975 39.276 24.215 1.00 9.36 C +ATOM 2946 C HIS B 21 42.106 40.157 23.700 1.00 10.34 C +ATOM 2947 O HIS B 21 41.943 41.314 23.339 1.00 15.95 O +ATOM 2948 CB HIS B 21 40.477 38.436 23.008 1.00 22.76 C +ATOM 2949 CG HIS B 21 39.189 37.702 23.244 1.00 26.39 C +ATOM 2950 ND1 HIS B 21 37.955 38.266 22.981 1.00 33.20 N +ATOM 2951 CD2 HIS B 21 38.940 36.453 23.705 1.00 34.96 C +ATOM 2952 CE1 HIS B 21 37.003 37.395 23.264 1.00 32.45 C +ATOM 2953 NE2 HIS B 21 37.573 36.287 23.706 1.00 35.08 N +ATOM 2954 N LYS B 22 43.274 39.567 23.662 1.00 6.00 N +ATOM 2955 CA LYS B 22 44.432 40.253 23.210 1.00 14.86 C +ATOM 2956 C LYS B 22 44.866 39.660 21.838 1.00 22.98 C +ATOM 2957 O LYS B 22 45.241 38.490 21.754 1.00 38.29 O +ATOM 2958 CB LYS B 22 45.559 40.098 24.248 1.00 21.82 C +ATOM 2959 CG LYS B 22 45.213 40.498 25.686 1.00 34.06 C +ATOM 2960 CD LYS B 22 46.432 40.936 26.557 1.00 36.98 C +ATOM 2961 CE LYS B 22 47.552 39.891 26.815 1.00 43.07 C +ATOM 2962 NZ LYS B 22 48.615 39.675 25.751 1.00 44.52 N +ATOM 2963 N TYR B 23 44.788 40.435 20.760 1.00 18.00 N +ATOM 2964 CA TYR B 23 45.190 39.969 19.449 1.00 14.94 C +ATOM 2965 C TYR B 23 46.593 40.414 19.156 1.00 14.27 C +ATOM 2966 O TYR B 23 46.896 41.585 19.308 1.00 19.55 O +ATOM 2967 CB TYR B 23 44.263 40.534 18.400 1.00 21.04 C +ATOM 2968 CG TYR B 23 42.893 39.944 18.419 1.00 16.74 C +ATOM 2969 CD1 TYR B 23 42.608 38.779 17.694 1.00 21.43 C +ATOM 2970 CD2 TYR B 23 41.878 40.534 19.128 1.00 18.40 C +ATOM 2971 CE1 TYR B 23 41.326 38.222 17.683 1.00 14.61 C +ATOM 2972 CE2 TYR B 23 40.593 39.977 19.118 1.00 18.09 C +ATOM 2973 CZ TYR B 23 40.344 38.828 18.390 1.00 6.00 C +ATOM 2974 OH TYR B 23 39.087 38.327 18.342 1.00 14.48 O +ATOM 2975 N PRO B 24 47.478 39.502 18.755 1.00 6.77 N +ATOM 2976 CA PRO B 24 48.831 39.891 18.326 1.00 8.53 C +ATOM 2977 C PRO B 24 48.743 40.735 17.073 1.00 11.19 C +ATOM 2978 O PRO B 24 47.733 40.685 16.377 1.00 9.24 O +ATOM 2979 CB PRO B 24 49.538 38.553 18.130 1.00 6.00 C +ATOM 2980 CG PRO B 24 48.407 37.704 17.602 1.00 9.82 C +ATOM 2981 CD PRO B 24 47.328 38.035 18.651 1.00 8.28 C +ATOM 2982 N SER B 25 49.771 41.501 16.770 1.00 13.72 N +ATOM 2983 CA SER B 25 49.722 42.307 15.561 1.00 21.63 C +ATOM 2984 C SER B 25 49.718 41.439 14.294 1.00 17.59 C +ATOM 2985 O SER B 25 50.435 40.447 14.196 1.00 23.55 O +ATOM 2986 CB SER B 25 50.914 43.246 15.524 1.00 19.72 C +ATOM 2987 OG SER B 25 52.113 42.521 15.645 1.00 31.54 O +ATOM 2988 N LYS B 26 48.887 41.871 13.352 1.00 19.23 N +ATOM 2989 CA LYS B 26 48.616 41.300 12.024 1.00 20.75 C +ATOM 2990 C LYS B 26 47.551 40.231 12.078 1.00 16.14 C +ATOM 2991 O LYS B 26 47.210 39.642 11.055 1.00 18.18 O +ATOM 2992 CB LYS B 26 49.895 40.709 11.407 1.00 25.50 C +ATOM 2993 CG LYS B 26 49.710 39.829 10.156 1.00 40.29 C +ATOM 2994 CD LYS B 26 49.004 40.462 8.917 1.00 34.06 C +ATOM 2995 CE LYS B 26 49.688 41.738 8.396 1.00 33.90 C +ATOM 2996 NZ LYS B 26 51.180 41.653 8.255 1.00 31.77 N +ATOM 2997 N SER B 27 46.969 39.987 13.248 1.00 17.89 N +ATOM 2998 CA SER B 27 45.950 38.946 13.231 1.00 16.83 C +ATOM 2999 C SER B 27 44.657 39.424 12.561 1.00 19.61 C +ATOM 3000 O SER B 27 44.398 40.603 12.302 1.00 9.87 O +ATOM 3001 CB SER B 27 45.651 38.421 14.676 1.00 15.62 C +ATOM 3002 OG SER B 27 45.285 39.360 15.681 1.00 13.75 O +ATOM 3003 N THR B 28 43.825 38.462 12.260 1.00 21.25 N +ATOM 3004 CA THR B 28 42.620 38.758 11.555 1.00 20.93 C +ATOM 3005 C THR B 28 41.431 38.665 12.505 1.00 25.98 C +ATOM 3006 O THR B 28 40.951 37.562 12.795 1.00 31.52 O +ATOM 3007 CB THR B 28 42.567 37.767 10.385 1.00 15.71 C +ATOM 3008 OG1 THR B 28 43.717 37.982 9.540 1.00 13.94 O +ATOM 3009 CG2 THR B 28 41.322 37.932 9.610 1.00 9.93 C +ATOM 3010 N LEU B 29 40.975 39.817 13.011 1.00 18.06 N +ATOM 3011 CA LEU B 29 39.830 39.864 13.918 1.00 9.45 C +ATOM 3012 C LEU B 29 38.568 39.478 13.247 1.00 6.00 C +ATOM 3013 O LEU B 29 37.780 38.767 13.826 1.00 7.91 O +ATOM 3014 CB LEU B 29 39.578 41.250 14.484 1.00 10.97 C +ATOM 3015 CG LEU B 29 40.511 42.023 15.422 1.00 22.39 C +ATOM 3016 CD1 LEU B 29 39.795 42.264 16.788 1.00 13.40 C +ATOM 3017 CD2 LEU B 29 41.848 41.277 15.479 1.00 6.00 C +ATOM 3018 N ILE B 30 38.361 39.981 12.031 1.00 8.21 N +ATOM 3019 CA ILE B 30 37.118 39.760 11.280 1.00 6.64 C +ATOM 3020 C ILE B 30 37.375 39.366 9.802 1.00 14.50 C +ATOM 3021 O ILE B 30 38.346 39.835 9.198 1.00 8.89 O +ATOM 3022 CB ILE B 30 36.272 41.042 11.312 1.00 12.51 C +ATOM 3023 CG1 ILE B 30 35.933 41.408 12.752 1.00 12.57 C +ATOM 3024 CG2 ILE B 30 35.016 40.842 10.538 1.00 10.78 C +ATOM 3025 CD1 ILE B 30 34.920 42.511 12.843 1.00 6.00 C +ATOM 3026 N HIS B 31 36.509 38.514 9.235 1.00 7.83 N +ATOM 3027 CA HIS B 31 36.632 38.072 7.842 1.00 14.58 C +ATOM 3028 C HIS B 31 35.425 38.523 7.030 1.00 17.66 C +ATOM 3029 O HIS B 31 34.288 38.497 7.512 1.00 24.15 O +ATOM 3030 CB HIS B 31 36.697 36.523 7.700 1.00 31.78 C +ATOM 3031 CG HIS B 31 38.009 35.895 8.074 1.00 37.88 C +ATOM 3032 ND1 HIS B 31 38.341 35.561 9.372 1.00 39.86 N +ATOM 3033 CD2 HIS B 31 39.070 35.531 7.310 1.00 46.34 C +ATOM 3034 CE1 HIS B 31 39.549 35.021 9.390 1.00 41.14 C +ATOM 3035 NE2 HIS B 31 40.015 34.991 8.154 1.00 37.98 N +ATOM 3036 N GLN B 32 35.636 38.909 5.781 1.00 23.12 N +ATOM 3037 CA GLN B 32 34.471 39.302 5.006 1.00 27.47 C +ATOM 3038 C GLN B 32 33.542 38.136 4.834 1.00 27.10 C +ATOM 3039 O GLN B 32 34.002 37.025 4.604 1.00 38.08 O +ATOM 3040 CB GLN B 32 34.827 39.783 3.605 1.00 32.49 C +ATOM 3041 CG GLN B 32 35.245 41.228 3.504 1.00 39.62 C +ATOM 3042 CD GLN B 32 34.943 41.821 2.134 1.00 38.88 C +ATOM 3043 OE1 GLN B 32 33.786 41.847 1.705 1.00 35.87 O +ATOM 3044 NE2 GLN B 32 35.977 42.309 1.445 1.00 43.99 N +ATOM 3045 N GLY B 33 32.251 38.383 4.985 1.00 19.84 N +ATOM 3046 CA GLY B 33 31.256 37.359 4.727 1.00 14.69 C +ATOM 3047 C GLY B 33 30.890 36.465 5.891 1.00 18.41 C +ATOM 3048 O GLY B 33 29.826 35.823 5.820 1.00 21.70 O +ATOM 3049 N GLU B 34 31.728 36.395 6.927 1.00 11.40 N +ATOM 3050 CA GLU B 34 31.463 35.538 8.085 1.00 11.02 C +ATOM 3051 C GLU B 34 30.179 36.038 8.678 1.00 11.20 C +ATOM 3052 O GLU B 34 29.910 37.206 8.539 1.00 24.91 O +ATOM 3053 CB GLU B 34 32.698 35.651 9.006 1.00 20.14 C +ATOM 3054 CG GLU B 34 32.679 35.007 10.403 1.00 37.34 C +ATOM 3055 CD GLU B 34 32.150 35.977 11.461 1.00 41.39 C +ATOM 3056 OE1 GLU B 34 30.928 35.972 11.661 1.00 36.54 O +ATOM 3057 OE2 GLU B 34 32.944 36.754 12.073 1.00 37.97 O +ATOM 3058 N LYS B 35 29.359 35.184 9.294 1.00 29.11 N +ATOM 3059 CA LYS B 35 28.042 35.638 9.800 1.00 34.78 C +ATOM 3060 C LYS B 35 28.166 36.400 11.121 1.00 35.60 C +ATOM 3061 O LYS B 35 28.685 35.915 12.129 1.00 29.45 O +ATOM 3062 CB LYS B 35 27.069 34.423 9.962 1.00 33.41 C +ATOM 3063 CG LYS B 35 27.248 33.480 11.157 1.00 26.13 C +ATOM 3064 CD LYS B 35 28.690 32.949 11.277 1.00 41.93 C +ATOM 3065 CE LYS B 35 29.021 31.600 10.585 1.00 46.62 C +ATOM 3066 NZ LYS B 35 28.726 30.406 11.477 1.00 44.71 N +ATOM 3067 N ALA B 36 27.643 37.619 11.074 1.00 37.64 N +ATOM 3068 CA ALA B 36 27.747 38.576 12.148 1.00 33.60 C +ATOM 3069 C ALA B 36 26.949 38.271 13.383 1.00 29.25 C +ATOM 3070 O ALA B 36 25.741 38.420 13.363 1.00 26.96 O +ATOM 3071 CB ALA B 36 27.347 39.900 11.624 1.00 27.74 C +ATOM 3072 N GLU B 37 27.636 37.904 14.467 1.00 37.26 N +ATOM 3073 CA GLU B 37 26.992 37.622 15.753 1.00 37.40 C +ATOM 3074 C GLU B 37 27.598 38.398 16.951 1.00 35.41 C +ATOM 3075 O GLU B 37 26.900 38.592 17.954 1.00 34.05 O +ATOM 3076 CB GLU B 37 27.069 36.124 16.067 1.00 34.07 C +ATOM 3077 CG GLU B 37 25.950 35.680 16.987 1.00 44.03 C +ATOM 3078 CD GLU B 37 24.600 35.877 16.308 1.00 50.13 C +ATOM 3079 OE1 GLU B 37 24.542 35.590 15.087 1.00 53.63 O +ATOM 3080 OE2 GLU B 37 23.613 36.313 16.957 1.00 45.09 O +ATOM 3081 N THR B 38 28.856 38.842 16.861 1.00 27.87 N +ATOM 3082 CA THR B 38 29.537 39.546 17.968 1.00 26.76 C +ATOM 3083 C THR B 38 29.883 41.022 17.769 1.00 25.94 C +ATOM 3084 O THR B 38 30.399 41.380 16.714 1.00 25.29 O +ATOM 3085 CB THR B 38 30.837 38.899 18.285 1.00 29.73 C +ATOM 3086 OG1 THR B 38 31.516 38.660 17.043 1.00 36.73 O +ATOM 3087 CG2 THR B 38 30.638 37.596 19.036 1.00 46.43 C +ATOM 3088 N LEU B 39 29.636 41.875 18.766 1.00 20.30 N +ATOM 3089 CA LEU B 39 30.067 43.285 18.663 1.00 19.19 C +ATOM 3090 C LEU B 39 31.437 43.296 19.303 1.00 19.01 C +ATOM 3091 O LEU B 39 31.714 42.361 20.046 1.00 30.91 O +ATOM 3092 CB LEU B 39 29.139 44.271 19.445 1.00 18.04 C +ATOM 3093 CG LEU B 39 29.412 45.805 19.280 1.00 29.51 C +ATOM 3094 CD1 LEU B 39 29.040 46.325 17.857 1.00 18.65 C +ATOM 3095 CD2 LEU B 39 28.502 46.573 20.236 1.00 24.87 C +ATOM 3096 N TYR B 40 32.296 44.277 19.021 1.00 13.99 N +ATOM 3097 CA TYR B 40 33.615 44.346 19.666 1.00 12.21 C +ATOM 3098 C TYR B 40 33.865 45.747 20.132 1.00 18.07 C +ATOM 3099 O TYR B 40 33.082 46.648 19.864 1.00 23.15 O +ATOM 3100 CB TYR B 40 34.808 44.036 18.761 1.00 12.84 C +ATOM 3101 CG TYR B 40 34.866 42.655 18.160 1.00 25.14 C +ATOM 3102 CD1 TYR B 40 33.798 42.141 17.429 1.00 23.50 C +ATOM 3103 CD2 TYR B 40 36.007 41.873 18.281 1.00 21.33 C +ATOM 3104 CE1 TYR B 40 33.876 40.888 16.835 1.00 27.68 C +ATOM 3105 CE2 TYR B 40 36.095 40.638 17.696 1.00 17.24 C +ATOM 3106 CZ TYR B 40 35.035 40.148 16.974 1.00 25.99 C +ATOM 3107 OH TYR B 40 35.131 38.920 16.360 1.00 37.56 O +ATOM 3108 N TYR B 41 34.989 45.912 20.810 1.00 17.64 N +ATOM 3109 CA TYR B 41 35.390 47.188 21.323 1.00 18.09 C +ATOM 3110 C TYR B 41 36.905 47.137 21.464 1.00 19.55 C +ATOM 3111 O TYR B 41 37.493 46.182 21.980 1.00 20.17 O +ATOM 3112 CB TYR B 41 34.744 47.478 22.709 1.00 16.69 C +ATOM 3113 CG TYR B 41 34.989 48.923 23.223 1.00 21.47 C +ATOM 3114 CD1 TYR B 41 36.216 49.298 23.795 1.00 24.01 C +ATOM 3115 CD2 TYR B 41 34.019 49.924 23.067 1.00 24.72 C +ATOM 3116 CE1 TYR B 41 36.472 50.630 24.190 1.00 28.20 C +ATOM 3117 CE2 TYR B 41 34.257 51.251 23.454 1.00 18.88 C +ATOM 3118 CZ TYR B 41 35.489 51.603 24.008 1.00 26.14 C +ATOM 3119 OH TYR B 41 35.754 52.921 24.322 1.00 18.15 O +ATOM 3120 N ILE B 42 37.535 48.178 20.951 1.00 24.33 N +ATOM 3121 CA ILE B 42 38.950 48.292 21.024 1.00 15.99 C +ATOM 3122 C ILE B 42 39.316 48.925 22.347 1.00 24.16 C +ATOM 3123 O ILE B 42 39.129 50.143 22.565 1.00 13.38 O +ATOM 3124 CB ILE B 42 39.462 49.144 19.929 1.00 6.00 C +ATOM 3125 CG1 ILE B 42 39.118 48.519 18.601 1.00 8.63 C +ATOM 3126 CG2 ILE B 42 40.947 49.253 20.044 1.00 9.34 C +ATOM 3127 CD1 ILE B 42 39.994 49.009 17.549 1.00 6.00 C +ATOM 3128 N VAL B 43 39.803 48.083 23.245 1.00 23.12 N +ATOM 3129 CA VAL B 43 40.201 48.557 24.536 1.00 24.99 C +ATOM 3130 C VAL B 43 41.634 49.036 24.471 1.00 26.85 C +ATOM 3131 O VAL B 43 42.006 49.966 25.172 1.00 28.87 O +ATOM 3132 CB VAL B 43 40.041 47.448 25.551 1.00 27.06 C +ATOM 3133 CG1 VAL B 43 40.319 47.980 26.911 1.00 38.37 C +ATOM 3134 CG2 VAL B 43 38.607 46.937 25.538 1.00 32.14 C +ATOM 3135 N LYS B 44 42.458 48.413 23.640 1.00 22.08 N +ATOM 3136 CA LYS B 44 43.837 48.902 23.472 1.00 21.38 C +ATOM 3137 C LYS B 44 44.265 48.727 22.008 1.00 27.33 C +ATOM 3138 O LYS B 44 43.808 47.789 21.329 1.00 23.27 O +ATOM 3139 CB LYS B 44 44.825 48.125 24.338 1.00 25.14 C +ATOM 3140 CG LYS B 44 46.302 48.428 23.980 1.00 26.68 C +ATOM 3141 CD LYS B 44 47.344 47.413 24.540 1.00 38.05 C +ATOM 3142 CE LYS B 44 48.782 47.559 23.908 1.00 28.90 C +ATOM 3143 NZ LYS B 44 48.791 47.436 22.399 1.00 32.56 N +ATOM 3144 N GLY B 45 45.093 49.643 21.511 1.00 27.69 N +ATOM 3145 CA GLY B 45 45.607 49.486 20.163 1.00 28.58 C +ATOM 3146 C GLY B 45 44.734 49.986 19.007 1.00 31.40 C +ATOM 3147 O GLY B 45 43.730 50.707 19.200 1.00 26.30 O +ATOM 3148 N SER B 46 45.123 49.522 17.808 1.00 25.84 N +ATOM 3149 CA SER B 46 44.548 49.916 16.525 1.00 23.41 C +ATOM 3150 C SER B 46 44.401 48.786 15.488 1.00 23.30 C +ATOM 3151 O SER B 46 45.203 47.852 15.370 1.00 15.38 O +ATOM 3152 CB SER B 46 45.411 50.998 15.954 1.00 25.29 C +ATOM 3153 OG SER B 46 46.747 50.559 16.103 1.00 30.58 O +ATOM 3154 N VAL B 47 43.436 48.972 14.617 1.00 23.91 N +ATOM 3155 CA VAL B 47 43.111 47.928 13.707 1.00 18.40 C +ATOM 3156 C VAL B 47 42.934 48.530 12.282 1.00 21.50 C +ATOM 3157 O VAL B 47 42.908 49.768 12.099 1.00 12.27 O +ATOM 3158 CB VAL B 47 41.877 47.332 14.356 1.00 12.57 C +ATOM 3159 CG1 VAL B 47 40.662 48.133 13.908 1.00 6.00 C +ATOM 3160 CG2 VAL B 47 41.812 45.873 14.090 1.00 11.73 C +ATOM 3161 N ALA B 48 42.815 47.689 11.254 1.00 19.58 N +ATOM 3162 CA ALA B 48 42.620 48.224 9.889 1.00 18.16 C +ATOM 3163 C ALA B 48 41.416 47.591 9.235 1.00 12.82 C +ATOM 3164 O ALA B 48 41.222 46.393 9.357 1.00 18.01 O +ATOM 3165 CB ALA B 48 43.837 47.953 9.035 1.00 18.92 C +ATOM 3166 N VAL B 49 40.584 48.406 8.594 1.00 12.15 N +ATOM 3167 CA VAL B 49 39.412 47.930 7.854 1.00 13.55 C +ATOM 3168 C VAL B 49 39.791 48.031 6.377 1.00 11.33 C +ATOM 3169 O VAL B 49 40.300 49.070 5.937 1.00 13.71 O +ATOM 3170 CB VAL B 49 38.162 48.806 8.098 1.00 6.00 C +ATOM 3171 CG1 VAL B 49 36.940 48.068 7.601 1.00 11.71 C +ATOM 3172 CG2 VAL B 49 37.996 49.093 9.569 1.00 6.00 C +ATOM 3173 N LEU B 50 39.586 46.948 5.636 1.00 10.77 N +ATOM 3174 CA LEU B 50 39.945 46.858 4.214 1.00 6.94 C +ATOM 3175 C LEU B 50 39.058 45.828 3.537 1.00 11.14 C +ATOM 3176 O LEU B 50 38.560 44.909 4.166 1.00 9.61 O +ATOM 3177 CB LEU B 50 41.453 46.480 4.074 1.00 6.19 C +ATOM 3178 CG LEU B 50 42.077 45.452 5.035 1.00 6.38 C +ATOM 3179 CD1 LEU B 50 41.565 44.092 4.679 1.00 12.15 C +ATOM 3180 CD2 LEU B 50 43.557 45.502 4.971 1.00 6.00 C +ATOM 3181 N ILE B 51 38.791 46.027 2.256 1.00 11.74 N +ATOM 3182 CA ILE B 51 37.966 45.095 1.516 1.00 7.46 C +ATOM 3183 C ILE B 51 38.721 44.506 0.358 1.00 12.57 C +ATOM 3184 O ILE B 51 39.834 44.945 0.050 1.00 11.22 O +ATOM 3185 CB ILE B 51 36.791 45.783 1.017 1.00 13.08 C +ATOM 3186 CG1 ILE B 51 37.187 46.733 -0.105 1.00 18.13 C +ATOM 3187 CG2 ILE B 51 36.134 46.418 2.205 1.00 6.59 C +ATOM 3188 CD1 ILE B 51 36.053 47.630 -0.512 1.00 15.17 C +ATOM 3189 N LYS B 52 38.078 43.546 -0.310 1.00 19.11 N +ATOM 3190 CA LYS B 52 38.785 42.744 -1.317 1.00 19.34 C +ATOM 3191 C LYS B 52 37.980 42.220 -2.478 1.00 21.18 C +ATOM 3192 O LYS B 52 36.924 41.604 -2.316 1.00 21.23 O +ATOM 3193 CB LYS B 52 39.454 41.535 -0.634 1.00 19.36 C +ATOM 3194 CG LYS B 52 40.643 41.901 0.251 1.00 25.77 C +ATOM 3195 CD LYS B 52 41.416 40.680 0.788 1.00 37.87 C +ATOM 3196 CE LYS B 52 42.042 39.749 -0.291 1.00 40.35 C +ATOM 3197 NZ LYS B 52 41.070 38.875 -1.051 1.00 39.02 N +ATOM 3198 N ASP B 53 38.570 42.455 -3.640 1.00 26.20 N +ATOM 3199 CA ASP B 53 38.104 42.053 -4.959 1.00 30.19 C +ATOM 3200 C ASP B 53 38.496 40.589 -5.179 1.00 30.81 C +ATOM 3201 O ASP B 53 39.640 40.220 -4.873 1.00 27.23 O +ATOM 3202 CB ASP B 53 38.762 42.942 -6.005 1.00 25.68 C +ATOM 3203 CG ASP B 53 38.228 42.693 -7.384 1.00 36.79 C +ATOM 3204 OD1 ASP B 53 37.026 42.975 -7.605 1.00 42.51 O +ATOM 3205 OD2 ASP B 53 39.002 42.230 -8.249 1.00 45.65 O +ATOM 3206 N GLU B 54 37.597 39.776 -5.756 1.00 33.39 N +ATOM 3207 CA GLU B 54 37.875 38.341 -5.909 1.00 27.12 C +ATOM 3208 C GLU B 54 39.200 38.062 -6.520 1.00 23.49 C +ATOM 3209 O GLU B 54 39.760 37.039 -6.234 1.00 28.23 O +ATOM 3210 CB GLU B 54 36.845 37.643 -6.755 1.00 16.71 C +ATOM 3211 CG GLU B 54 35.473 37.551 -6.065 1.00 29.08 C +ATOM 3212 CD GLU B 54 34.559 38.772 -6.287 1.00 32.03 C +ATOM 3213 OE1 GLU B 54 35.049 39.793 -6.812 1.00 41.53 O +ATOM 3214 OE2 GLU B 54 33.345 38.709 -5.948 1.00 40.23 O +ATOM 3215 N GLU B 55 39.717 38.944 -7.357 1.00 29.88 N +ATOM 3216 CA GLU B 55 41.053 38.716 -7.898 1.00 27.36 C +ATOM 3217 C GLU B 55 42.194 39.327 -6.987 1.00 33.84 C +ATOM 3218 O GLU B 55 43.204 39.895 -7.454 1.00 34.61 O +ATOM 3219 CB GLU B 55 41.048 39.272 -9.365 1.00 31.87 C +ATOM 3220 CG GLU B 55 40.299 38.286 -10.351 1.00 34.09 C +ATOM 3221 CD GLU B 55 40.226 38.613 -11.906 1.00 22.81 C +ATOM 3222 OE1 GLU B 55 39.095 38.553 -12.481 1.00 11.57 O +ATOM 3223 OE2 GLU B 55 41.263 38.889 -12.549 1.00 20.61 O +ATOM 3224 N GLY B 56 41.924 39.262 -5.670 1.00 34.34 N +ATOM 3225 CA GLY B 56 42.846 39.548 -4.563 1.00 34.74 C +ATOM 3226 C GLY B 56 43.178 41.041 -4.316 1.00 32.65 C +ATOM 3227 O GLY B 56 43.756 41.264 -3.217 1.00 32.52 O +ATOM 3228 N LYS B 57 42.911 42.066 -5.137 1.00 26.26 N +ATOM 3229 CA LYS B 57 43.391 43.403 -4.706 1.00 25.49 C +ATOM 3230 C LYS B 57 42.632 43.931 -3.493 1.00 27.11 C +ATOM 3231 O LYS B 57 41.417 43.775 -3.419 1.00 35.63 O +ATOM 3232 CB LYS B 57 43.238 44.455 -5.817 1.00 34.40 C +ATOM 3233 CG LYS B 57 44.010 45.775 -5.492 1.00 45.06 C +ATOM 3234 CD LYS B 57 43.682 46.962 -6.443 1.00 49.96 C +ATOM 3235 CE LYS B 57 44.602 48.204 -6.222 1.00 50.30 C +ATOM 3236 NZ LYS B 57 44.754 48.758 -4.816 1.00 53.01 N +ATOM 3237 N GLU B 58 43.325 44.588 -2.573 1.00 19.02 N +ATOM 3238 CA GLU B 58 42.678 45.111 -1.361 1.00 23.13 C +ATOM 3239 C GLU B 58 42.848 46.653 -1.155 1.00 21.01 C +ATOM 3240 O GLU B 58 43.859 47.242 -1.523 1.00 27.24 O +ATOM 3241 CB GLU B 58 43.229 44.336 -0.119 1.00 19.43 C +ATOM 3242 CG GLU B 58 44.756 44.184 -0.022 1.00 25.10 C +ATOM 3243 CD GLU B 58 45.286 43.756 1.376 1.00 39.64 C +ATOM 3244 OE1 GLU B 58 46.506 43.430 1.495 1.00 27.81 O +ATOM 3245 OE2 GLU B 58 44.501 43.765 2.363 1.00 37.17 O +ATOM 3246 N MET B 59 41.838 47.291 -0.570 1.00 17.17 N +ATOM 3247 CA MET B 59 41.868 48.719 -0.284 1.00 22.52 C +ATOM 3248 C MET B 59 41.525 49.025 1.176 1.00 19.46 C +ATOM 3249 O MET B 59 40.489 48.568 1.669 1.00 25.81 O +ATOM 3250 CB MET B 59 40.865 49.486 -1.148 1.00 18.54 C +ATOM 3251 CG MET B 59 40.577 50.888 -0.552 1.00 16.58 C +ATOM 3252 SD MET B 59 39.765 51.973 -1.660 1.00 24.40 S +ATOM 3253 CE MET B 59 41.098 52.317 -2.718 1.00 12.75 C +ATOM 3254 N ILE B 60 42.371 49.780 1.869 1.00 7.29 N +ATOM 3255 CA ILE B 60 42.077 50.161 3.238 1.00 6.04 C +ATOM 3256 C ILE B 60 40.940 51.210 3.259 1.00 10.95 C +ATOM 3257 O ILE B 60 40.985 52.216 2.551 1.00 11.67 O +ATOM 3258 CB ILE B 60 43.300 50.794 3.925 1.00 13.66 C +ATOM 3259 CG1 ILE B 60 44.463 49.826 3.993 1.00 6.00 C +ATOM 3260 CG2 ILE B 60 42.930 51.157 5.355 1.00 21.06 C +ATOM 3261 CD1 ILE B 60 45.696 50.496 4.602 1.00 14.81 C +ATOM 3262 N LEU B 61 39.905 50.985 4.051 1.00 17.71 N +ATOM 3263 CA LEU B 61 38.808 51.955 4.198 1.00 20.92 C +ATOM 3264 C LEU B 61 39.023 52.858 5.400 1.00 19.76 C +ATOM 3265 O LEU B 61 38.563 53.996 5.423 1.00 12.83 O +ATOM 3266 CB LEU B 61 37.491 51.278 4.426 1.00 12.38 C +ATOM 3267 CG LEU B 61 36.887 50.646 3.219 1.00 16.00 C +ATOM 3268 CD1 LEU B 61 35.953 49.541 3.630 1.00 14.17 C +ATOM 3269 CD2 LEU B 61 36.229 51.734 2.433 1.00 16.33 C +ATOM 3270 N SER B 62 39.683 52.334 6.423 1.00 20.82 N +ATOM 3271 CA SER B 62 39.967 53.177 7.551 1.00 15.96 C +ATOM 3272 C SER B 62 40.767 52.466 8.610 1.00 15.64 C +ATOM 3273 O SER B 62 40.827 51.255 8.707 1.00 21.79 O +ATOM 3274 CB SER B 62 38.640 53.662 8.133 1.00 13.80 C +ATOM 3275 OG SER B 62 38.821 54.279 9.372 1.00 19.60 O +ATOM 3276 N TYR B 63 41.300 53.259 9.484 1.00 18.85 N +ATOM 3277 CA TYR B 63 42.024 52.806 10.627 1.00 12.36 C +ATOM 3278 C TYR B 63 41.054 53.069 11.788 1.00 16.68 C +ATOM 3279 O TYR B 63 40.289 54.038 11.792 1.00 9.24 O +ATOM 3280 CB TYR B 63 43.306 53.621 10.773 1.00 15.22 C +ATOM 3281 CG TYR B 63 44.355 53.374 9.706 1.00 13.93 C +ATOM 3282 CD1 TYR B 63 44.484 52.121 9.111 1.00 15.08 C +ATOM 3283 CD2 TYR B 63 45.236 54.372 9.312 1.00 7.17 C +ATOM 3284 CE1 TYR B 63 45.481 51.858 8.141 1.00 13.67 C +ATOM 3285 CE2 TYR B 63 46.240 54.119 8.340 1.00 17.99 C +ATOM 3286 CZ TYR B 63 46.348 52.845 7.765 1.00 13.74 C +ATOM 3287 OH TYR B 63 47.312 52.533 6.845 1.00 15.67 O +ATOM 3288 N LEU B 64 41.028 52.163 12.742 1.00 13.42 N +ATOM 3289 CA LEU B 64 40.173 52.321 13.871 1.00 6.00 C +ATOM 3290 C LEU B 64 41.118 52.302 15.015 1.00 10.53 C +ATOM 3291 O LEU B 64 42.287 51.868 14.834 1.00 6.00 O +ATOM 3292 CB LEU B 64 39.209 51.173 13.889 1.00 6.00 C +ATOM 3293 CG LEU B 64 37.769 51.605 13.688 1.00 9.40 C +ATOM 3294 CD1 LEU B 64 37.715 52.775 12.673 1.00 8.66 C +ATOM 3295 CD2 LEU B 64 36.961 50.387 13.297 1.00 11.27 C +ATOM 3296 N ASN B 65 40.662 52.750 16.179 1.00 11.14 N +ATOM 3297 CA ASN B 65 41.557 52.792 17.334 1.00 12.99 C +ATOM 3298 C ASN B 65 40.805 52.551 18.649 1.00 19.41 C +ATOM 3299 O ASN B 65 39.608 52.241 18.679 1.00 21.12 O +ATOM 3300 CB ASN B 65 42.266 54.163 17.454 1.00 18.04 C +ATOM 3301 CG ASN B 65 43.116 54.564 16.218 1.00 14.22 C +ATOM 3302 OD1 ASN B 65 43.085 55.713 15.797 1.00 23.86 O +ATOM 3303 ND2 ASN B 65 43.876 53.642 15.667 1.00 26.92 N +ATOM 3304 N GLN B 66 41.547 52.687 19.738 1.00 19.41 N +ATOM 3305 CA GLN B 66 41.035 52.575 21.099 1.00 15.88 C +ATOM 3306 C GLN B 66 39.910 53.540 21.254 1.00 14.70 C +ATOM 3307 O GLN B 66 40.063 54.732 20.977 1.00 18.83 O +ATOM 3308 CB GLN B 66 42.127 52.923 22.105 1.00 29.78 C +ATOM 3309 CG GLN B 66 41.669 53.195 23.527 1.00 40.62 C +ATOM 3310 CD GLN B 66 42.748 53.916 24.339 1.00 43.47 C +ATOM 3311 OE1 GLN B 66 42.450 54.856 25.083 1.00 42.58 O +ATOM 3312 NE2 GLN B 66 44.004 53.494 24.185 1.00 42.99 N +ATOM 3313 N GLY B 67 38.780 52.993 21.660 1.00 11.02 N +ATOM 3314 CA GLY B 67 37.603 53.792 21.904 1.00 14.29 C +ATOM 3315 C GLY B 67 36.479 53.484 20.960 1.00 14.28 C +ATOM 3316 O GLY B 67 35.299 53.633 21.313 1.00 10.03 O +ATOM 3317 N ASP B 68 36.848 53.059 19.756 1.00 21.48 N +ATOM 3318 CA ASP B 68 35.883 52.767 18.697 1.00 19.79 C +ATOM 3319 C ASP B 68 35.264 51.395 18.795 1.00 16.57 C +ATOM 3320 O ASP B 68 35.892 50.481 19.265 1.00 21.37 O +ATOM 3321 CB ASP B 68 36.560 52.898 17.338 1.00 21.73 C +ATOM 3322 CG ASP B 68 37.179 54.271 17.116 1.00 15.95 C +ATOM 3323 OD1 ASP B 68 36.657 55.276 17.697 1.00 16.67 O +ATOM 3324 OD2 ASP B 68 38.194 54.313 16.370 1.00 8.64 O +ATOM 3325 N PHE B 69 34.006 51.279 18.392 1.00 18.99 N +ATOM 3326 CA PHE B 69 33.328 50.003 18.322 1.00 17.82 C +ATOM 3327 C PHE B 69 33.670 49.310 17.016 1.00 14.78 C +ATOM 3328 O PHE B 69 34.076 49.972 16.079 1.00 19.91 O +ATOM 3329 CB PHE B 69 31.865 50.189 18.359 1.00 21.54 C +ATOM 3330 CG PHE B 69 31.352 50.638 19.671 1.00 29.64 C +ATOM 3331 CD1 PHE B 69 31.032 49.705 20.649 1.00 24.31 C +ATOM 3332 CD2 PHE B 69 31.111 51.981 19.910 1.00 26.55 C +ATOM 3333 CE1 PHE B 69 30.476 50.105 21.827 1.00 24.04 C +ATOM 3334 CE2 PHE B 69 30.554 52.381 21.087 1.00 22.61 C +ATOM 3335 CZ PHE B 69 30.237 51.439 22.042 1.00 27.87 C +ATOM 3336 N ILE B 70 33.499 47.992 16.947 1.00 19.16 N +ATOM 3337 CA ILE B 70 33.810 47.256 15.708 1.00 22.22 C +ATOM 3338 C ILE B 70 32.724 46.253 15.325 1.00 17.94 C +ATOM 3339 O ILE B 70 32.239 45.547 16.160 1.00 18.74 O +ATOM 3340 CB ILE B 70 35.102 46.405 15.792 1.00 19.54 C +ATOM 3341 CG1 ILE B 70 36.309 47.236 16.163 1.00 21.44 C +ATOM 3342 CG2 ILE B 70 35.435 45.881 14.435 1.00 22.71 C +ATOM 3343 CD1 ILE B 70 37.578 46.374 16.210 1.00 17.03 C +ATOM 3344 N GLY B 71 32.335 46.173 14.069 1.00 15.70 N +ATOM 3345 CA GLY B 71 31.372 45.153 13.719 1.00 12.90 C +ATOM 3346 C GLY B 71 29.995 45.481 14.195 1.00 15.55 C +ATOM 3347 O GLY B 71 29.247 44.609 14.638 1.00 9.66 O +ATOM 3348 N GLU B 72 29.643 46.753 14.061 1.00 13.06 N +ATOM 3349 CA GLU B 72 28.350 47.204 14.506 1.00 9.98 C +ATOM 3350 C GLU B 72 27.288 47.121 13.467 1.00 6.30 C +ATOM 3351 O GLU B 72 26.118 47.115 13.811 1.00 16.70 O +ATOM 3352 CB GLU B 72 28.465 48.640 15.004 1.00 6.29 C +ATOM 3353 CG GLU B 72 29.806 49.291 14.717 1.00 6.00 C +ATOM 3354 CD GLU B 72 29.892 49.878 13.370 1.00 6.00 C +ATOM 3355 OE1 GLU B 72 30.948 49.814 12.732 1.00 6.80 O +ATOM 3356 OE2 GLU B 72 28.878 50.440 12.944 1.00 14.92 O +ATOM 3357 N LEU B 73 27.671 47.043 12.199 1.00 8.80 N +ATOM 3358 CA LEU B 73 26.651 47.057 11.138 1.00 16.62 C +ATOM 3359 C LEU B 73 25.834 45.782 11.069 1.00 17.15 C +ATOM 3360 O LEU B 73 24.689 45.783 10.573 1.00 25.19 O +ATOM 3361 CB LEU B 73 27.292 47.302 9.757 1.00 14.65 C +ATOM 3362 CG LEU B 73 28.151 48.538 9.421 1.00 7.34 C +ATOM 3363 CD1 LEU B 73 27.485 49.810 9.909 1.00 6.00 C +ATOM 3364 CD2 LEU B 73 29.473 48.393 10.076 1.00 13.59 C +ATOM 3365 N GLY B 74 26.418 44.701 11.577 1.00 16.35 N +ATOM 3366 CA GLY B 74 25.738 43.418 11.601 1.00 10.26 C +ATOM 3367 C GLY B 74 24.648 43.451 12.624 1.00 11.49 C +ATOM 3368 O GLY B 74 23.621 42.826 12.444 1.00 17.33 O +ATOM 3369 N LEU B 75 24.875 44.229 13.674 1.00 14.11 N +ATOM 3370 CA LEU B 75 23.956 44.353 14.793 1.00 17.74 C +ATOM 3371 C LEU B 75 22.532 44.743 14.481 1.00 17.87 C +ATOM 3372 O LEU B 75 21.652 44.306 15.211 1.00 16.33 O +ATOM 3373 CB LEU B 75 24.467 45.374 15.804 1.00 21.90 C +ATOM 3374 CG LEU B 75 23.364 45.873 16.760 1.00 27.58 C +ATOM 3375 CD1 LEU B 75 23.023 44.804 17.822 1.00 30.23 C +ATOM 3376 CD2 LEU B 75 23.851 47.115 17.446 1.00 24.21 C +ATOM 3377 N PHE B 76 22.272 45.521 13.427 1.00 23.44 N +ATOM 3378 CA PHE B 76 20.908 46.065 13.230 1.00 26.31 C +ATOM 3379 C PHE B 76 19.887 45.271 12.385 1.00 29.24 C +ATOM 3380 O PHE B 76 18.776 45.758 12.248 1.00 20.81 O +ATOM 3381 CB PHE B 76 21.059 47.504 12.686 1.00 18.51 C +ATOM 3382 CG PHE B 76 21.648 48.459 13.718 1.00 14.62 C +ATOM 3383 CD1 PHE B 76 20.827 49.156 14.593 1.00 20.69 C +ATOM 3384 CD2 PHE B 76 23.022 48.612 13.871 1.00 17.96 C +ATOM 3385 CE1 PHE B 76 21.347 49.977 15.599 1.00 9.37 C +ATOM 3386 CE2 PHE B 76 23.531 49.425 14.871 1.00 16.67 C +ATOM 3387 CZ PHE B 76 22.685 50.103 15.732 1.00 15.64 C +ATOM 3388 N GLU B 77 20.173 44.074 11.868 1.00 36.81 N +ATOM 3389 CA GLU B 77 19.156 43.307 11.109 1.00 39.12 C +ATOM 3390 C GLU B 77 19.249 41.774 11.235 1.00 44.95 C +ATOM 3391 O GLU B 77 18.221 41.088 11.202 1.00 45.76 O +ATOM 3392 CB GLU B 77 19.208 43.612 9.612 1.00 48.64 C +ATOM 3393 CG GLU B 77 18.552 44.908 9.138 1.00 52.08 C +ATOM 3394 CD GLU B 77 18.171 44.831 7.671 1.00 54.09 C +ATOM 3395 OE1 GLU B 77 18.175 43.704 7.134 1.00 51.05 O +ATOM 3396 OE2 GLU B 77 17.857 45.877 7.054 1.00 55.00 O +ATOM 3397 N GLU B 78 20.466 41.241 11.354 1.00 50.83 N +ATOM 3398 CA GLU B 78 20.731 39.790 11.461 1.00 52.94 C +ATOM 3399 C GLU B 78 20.285 38.940 10.262 1.00 51.17 C +ATOM 3400 O GLU B 78 19.262 39.167 9.591 1.00 50.16 O +ATOM 3401 CB GLU B 78 20.077 39.189 12.722 1.00 54.64 C +ATOM 3402 CG GLU B 78 21.044 39.015 13.916 1.00 55.00 C +ATOM 3403 CD GLU B 78 22.232 38.065 13.635 1.00 55.00 C +ATOM 3404 OE1 GLU B 78 22.070 36.827 13.770 1.00 55.00 O +ATOM 3405 OE2 GLU B 78 23.330 38.561 13.283 1.00 55.00 O +ATOM 3406 N GLY B 79 21.100 37.907 10.074 1.00 45.38 N +ATOM 3407 CA GLY B 79 20.997 36.985 8.969 1.00 40.99 C +ATOM 3408 C GLY B 79 22.317 37.202 8.265 1.00 42.94 C +ATOM 3409 O GLY B 79 23.042 36.249 7.951 1.00 49.32 O +ATOM 3410 N GLN B 80 22.630 38.501 8.117 1.00 37.62 N +ATOM 3411 CA GLN B 80 23.809 39.075 7.439 1.00 31.92 C +ATOM 3412 C GLN B 80 25.230 38.745 7.967 1.00 30.12 C +ATOM 3413 O GLN B 80 25.429 38.091 9.007 1.00 32.62 O +ATOM 3414 CB GLN B 80 23.641 40.608 7.392 1.00 33.45 C +ATOM 3415 CG GLN B 80 23.357 41.336 8.725 1.00 31.32 C +ATOM 3416 CD GLN B 80 23.089 42.804 8.480 1.00 29.75 C +ATOM 3417 OE1 GLN B 80 23.831 43.469 7.764 1.00 35.74 O +ATOM 3418 NE2 GLN B 80 22.016 43.312 9.052 1.00 27.54 N +ATOM 3419 N GLU B 81 26.213 39.250 7.217 1.00 24.00 N +ATOM 3420 CA GLU B 81 27.633 39.014 7.458 1.00 22.61 C +ATOM 3421 C GLU B 81 28.568 40.252 7.533 1.00 21.19 C +ATOM 3422 O GLU B 81 28.246 41.355 7.136 1.00 27.65 O +ATOM 3423 CB GLU B 81 28.112 38.029 6.369 1.00 32.49 C +ATOM 3424 CG GLU B 81 27.521 38.217 4.937 1.00 43.60 C +ATOM 3425 CD GLU B 81 27.644 36.960 4.024 1.00 49.63 C +ATOM 3426 OE1 GLU B 81 28.283 37.044 2.934 1.00 51.23 O +ATOM 3427 OE2 GLU B 81 27.082 35.893 4.402 1.00 45.25 O +ATOM 3428 N ARG B 82 29.741 40.036 8.098 1.00 18.77 N +ATOM 3429 CA ARG B 82 30.745 41.051 8.269 1.00 20.60 C +ATOM 3430 C ARG B 82 30.862 41.707 6.932 1.00 20.92 C +ATOM 3431 O ARG B 82 31.053 41.004 5.944 1.00 27.79 O +ATOM 3432 CB ARG B 82 32.057 40.406 8.637 1.00 16.57 C +ATOM 3433 CG ARG B 82 31.906 39.311 9.680 1.00 23.83 C +ATOM 3434 CD ARG B 82 31.890 39.738 11.121 1.00 22.31 C +ATOM 3435 NE ARG B 82 30.875 40.691 11.544 1.00 17.44 N +ATOM 3436 CZ ARG B 82 30.657 40.952 12.833 1.00 21.56 C +ATOM 3437 NH1 ARG B 82 31.364 40.336 13.788 1.00 21.77 N +ATOM 3438 NH2 ARG B 82 29.746 41.829 13.185 1.00 9.90 N +ATOM 3439 N SER B 83 30.751 43.033 6.900 1.00 29.02 N +ATOM 3440 CA SER B 83 30.806 43.834 5.654 1.00 19.08 C +ATOM 3441 C SER B 83 32.229 44.037 5.112 1.00 12.88 C +ATOM 3442 O SER B 83 32.389 44.177 3.899 1.00 6.00 O +ATOM 3443 CB SER B 83 30.191 45.242 5.871 1.00 6.00 C +ATOM 3444 OG SER B 83 31.173 46.099 6.454 1.00 6.95 O +ATOM 3445 N ALA B 84 33.231 44.059 6.001 1.00 6.77 N +ATOM 3446 CA ALA B 84 34.635 44.348 5.639 1.00 6.00 C +ATOM 3447 C ALA B 84 35.613 43.398 6.270 1.00 6.00 C +ATOM 3448 O ALA B 84 35.260 42.407 6.800 1.00 7.62 O +ATOM 3449 CB ALA B 84 34.998 45.770 6.074 1.00 7.89 C +ATOM 3450 N TRP B 85 36.876 43.705 6.195 1.00 6.00 N +ATOM 3451 CA TRP B 85 37.862 42.896 6.861 1.00 6.00 C +ATOM 3452 C TRP B 85 38.463 43.731 8.020 1.00 10.46 C +ATOM 3453 O TRP B 85 38.644 44.935 7.870 1.00 23.59 O +ATOM 3454 CB TRP B 85 38.928 42.554 5.895 1.00 7.07 C +ATOM 3455 CG TRP B 85 39.386 41.157 5.945 1.00 24.14 C +ATOM 3456 CD1 TRP B 85 40.187 40.593 6.875 1.00 32.33 C +ATOM 3457 CD2 TRP B 85 39.087 40.142 4.986 1.00 29.73 C +ATOM 3458 NE1 TRP B 85 40.418 39.269 6.565 1.00 33.73 N +ATOM 3459 CE2 TRP B 85 39.747 38.963 5.412 1.00 37.12 C +ATOM 3460 CE3 TRP B 85 38.320 40.114 3.814 1.00 24.54 C +ATOM 3461 CZ2 TRP B 85 39.671 37.761 4.704 1.00 37.70 C +ATOM 3462 CZ3 TRP B 85 38.236 38.939 3.116 1.00 34.03 C +ATOM 3463 CH2 TRP B 85 38.914 37.769 3.561 1.00 36.54 C +ATOM 3464 N VAL B 86 38.770 43.133 9.171 1.00 16.12 N +ATOM 3465 CA VAL B 86 39.413 43.898 10.244 1.00 12.63 C +ATOM 3466 C VAL B 86 40.687 43.177 10.754 1.00 14.66 C +ATOM 3467 O VAL B 86 40.550 42.220 11.482 1.00 17.35 O +ATOM 3468 CB VAL B 86 38.485 44.080 11.462 1.00 7.66 C +ATOM 3469 CG1 VAL B 86 39.137 45.006 12.419 1.00 6.00 C +ATOM 3470 CG2 VAL B 86 37.178 44.615 11.065 1.00 6.00 C +ATOM 3471 N ARG B 87 41.887 43.616 10.364 1.00 6.92 N +ATOM 3472 CA ARG B 87 43.162 43.049 10.788 1.00 6.00 C +ATOM 3473 C ARG B 87 43.720 43.908 11.893 1.00 17.11 C +ATOM 3474 O ARG B 87 43.380 45.089 12.018 1.00 33.23 O +ATOM 3475 CB ARG B 87 44.243 43.046 9.714 1.00 16.01 C +ATOM 3476 CG ARG B 87 43.895 42.297 8.455 1.00 37.49 C +ATOM 3477 CD ARG B 87 45.080 42.197 7.480 1.00 49.03 C +ATOM 3478 NE ARG B 87 44.744 41.681 6.136 1.00 55.00 N +ATOM 3479 CZ ARG B 87 43.799 40.784 5.827 1.00 50.58 C +ATOM 3480 NH1 ARG B 87 43.028 40.251 6.777 1.00 42.50 N +ATOM 3481 NH2 ARG B 87 43.641 40.410 4.547 1.00 43.58 N +ATOM 3482 N ALA B 88 44.626 43.316 12.666 1.00 26.11 N +ATOM 3483 CA ALA B 88 45.247 43.954 13.798 1.00 20.18 C +ATOM 3484 C ALA B 88 46.468 44.676 13.343 1.00 16.68 C +ATOM 3485 O ALA B 88 47.427 44.031 12.974 1.00 9.84 O +ATOM 3486 CB ALA B 88 45.604 42.906 14.804 1.00 12.50 C +ATOM 3487 N LYS B 89 46.452 46.003 13.357 1.00 16.04 N +ATOM 3488 CA LYS B 89 47.628 46.791 12.938 1.00 17.40 C +ATOM 3489 C LYS B 89 48.736 46.569 13.968 1.00 20.68 C +ATOM 3490 O LYS B 89 49.912 46.681 13.658 1.00 28.02 O +ATOM 3491 CB LYS B 89 47.282 48.291 12.880 1.00 20.11 C +ATOM 3492 CG LYS B 89 47.987 49.149 11.791 1.00 21.48 C +ATOM 3493 CD LYS B 89 47.782 50.655 12.018 1.00 13.64 C +ATOM 3494 CE LYS B 89 46.440 50.993 12.682 1.00 21.46 C +ATOM 3495 NZ LYS B 89 45.174 50.561 12.029 1.00 19.98 N +ATOM 3496 N THR B 90 48.322 46.262 15.198 1.00 29.60 N +ATOM 3497 CA THR B 90 49.186 45.987 16.366 1.00 30.38 C +ATOM 3498 C THR B 90 48.403 45.244 17.506 1.00 30.23 C +ATOM 3499 O THR B 90 47.251 44.791 17.308 1.00 28.51 O +ATOM 3500 CB THR B 90 49.770 47.326 16.928 1.00 35.36 C +ATOM 3501 OG1 THR B 90 48.716 48.292 17.067 1.00 33.67 O +ATOM 3502 CG2 THR B 90 50.849 47.885 15.990 1.00 37.99 C +ATOM 3503 N ALA B 91 49.003 45.109 18.689 1.00 19.33 N +ATOM 3504 CA ALA B 91 48.317 44.408 19.764 1.00 12.40 C +ATOM 3505 C ALA B 91 47.097 45.133 20.262 1.00 13.58 C +ATOM 3506 O ALA B 91 47.061 46.351 20.409 1.00 20.36 O +ATOM 3507 CB ALA B 91 49.257 44.185 20.909 1.00 22.11 C +ATOM 3508 N CYS B 92 46.109 44.341 20.632 1.00 15.53 N +ATOM 3509 CA CYS B 92 44.858 44.917 21.019 1.00 17.95 C +ATOM 3510 C CYS B 92 44.111 44.123 22.055 1.00 23.53 C +ATOM 3511 O CYS B 92 44.165 42.919 22.105 1.00 26.59 O +ATOM 3512 CB CYS B 92 43.913 45.049 19.806 1.00 24.64 C +ATOM 3513 SG CYS B 92 44.491 45.838 18.270 1.00 30.34 S +ATOM 3514 N GLU B 93 43.400 44.823 22.902 1.00 22.27 N +ATOM 3515 CA GLU B 93 42.520 44.157 23.799 1.00 24.30 C +ATOM 3516 C GLU B 93 41.149 44.479 23.416 1.00 23.89 C +ATOM 3517 O GLU B 93 40.797 45.641 23.353 1.00 23.65 O +ATOM 3518 CB GLU B 93 42.816 44.560 25.282 1.00 35.19 C +ATOM 3519 CG GLU B 93 43.674 43.553 26.126 1.00 27.78 C +ATOM 3520 CD GLU B 93 44.121 44.067 27.531 1.00 39.91 C +ATOM 3521 OE1 GLU B 93 45.333 44.380 27.696 1.00 33.18 O +ATOM 3522 OE2 GLU B 93 43.273 44.161 28.461 1.00 40.19 O +ATOM 3523 N VAL B 94 40.409 43.438 23.128 1.00 20.98 N +ATOM 3524 CA VAL B 94 39.140 43.615 22.515 1.00 21.41 C +ATOM 3525 C VAL B 94 38.048 43.008 23.314 1.00 22.80 C +ATOM 3526 O VAL B 94 37.997 41.784 23.484 1.00 22.76 O +ATOM 3527 CB VAL B 94 39.199 42.997 21.107 1.00 15.89 C +ATOM 3528 CG1 VAL B 94 37.970 43.353 20.344 1.00 18.97 C +ATOM 3529 CG2 VAL B 94 40.448 43.490 20.400 1.00 15.61 C +ATOM 3530 N ALA B 95 37.167 43.864 23.809 1.00 18.25 N +ATOM 3531 CA ALA B 95 36.067 43.364 24.597 1.00 18.99 C +ATOM 3532 C ALA B 95 35.115 42.864 23.560 1.00 17.66 C +ATOM 3533 O ALA B 95 34.971 43.573 22.567 1.00 8.82 O +ATOM 3534 CB ALA B 95 35.441 44.497 25.437 1.00 21.84 C +ATOM 3535 N GLU B 96 34.514 41.679 23.789 1.00 13.83 N +ATOM 3536 CA GLU B 96 33.592 41.030 22.862 1.00 11.93 C +ATOM 3537 C GLU B 96 32.340 40.664 23.612 1.00 14.51 C +ATOM 3538 O GLU B 96 32.428 40.087 24.683 1.00 32.79 O +ATOM 3539 CB GLU B 96 34.254 39.766 22.265 1.00 20.40 C +ATOM 3540 CG GLU B 96 33.574 39.273 20.935 1.00 28.95 C +ATOM 3541 CD GLU B 96 34.422 38.319 20.052 1.00 35.80 C +ATOM 3542 OE1 GLU B 96 35.673 38.240 20.153 1.00 26.69 O +ATOM 3543 OE2 GLU B 96 33.818 37.634 19.215 1.00 40.51 O +ATOM 3544 N ILE B 97 31.188 41.012 23.039 1.00 27.77 N +ATOM 3545 CA ILE B 97 29.834 40.816 23.603 1.00 25.08 C +ATOM 3546 C ILE B 97 29.009 40.262 22.458 1.00 30.78 C +ATOM 3547 O ILE B 97 29.191 40.726 21.325 1.00 31.49 O +ATOM 3548 CB ILE B 97 29.055 42.101 23.952 1.00 21.23 C +ATOM 3549 CG1 ILE B 97 30.038 43.172 24.341 1.00 26.71 C +ATOM 3550 CG2 ILE B 97 28.044 41.845 25.067 1.00 11.21 C +ATOM 3551 CD1 ILE B 97 29.385 44.524 24.558 1.00 35.75 C +ATOM 3552 N SER B 98 28.094 39.328 22.711 1.00 26.24 N +ATOM 3553 CA SER B 98 27.290 38.872 21.596 1.00 21.67 C +ATOM 3554 C SER B 98 26.376 40.022 21.281 1.00 25.28 C +ATOM 3555 O SER B 98 26.097 40.903 22.118 1.00 21.48 O +ATOM 3556 CB SER B 98 26.394 37.638 21.928 1.00 22.74 C +ATOM 3557 OG SER B 98 25.116 37.952 22.500 1.00 14.02 O +ATOM 3558 N TYR B 99 25.888 40.018 20.065 1.00 34.58 N +ATOM 3559 CA TYR B 99 24.922 41.017 19.717 1.00 34.34 C +ATOM 3560 C TYR B 99 23.836 40.998 20.792 1.00 36.42 C +ATOM 3561 O TYR B 99 23.600 42.001 21.489 1.00 22.23 O +ATOM 3562 CB TYR B 99 24.379 40.672 18.338 1.00 24.78 C +ATOM 3563 CG TYR B 99 25.244 41.217 17.212 1.00 24.92 C +ATOM 3564 CD1 TYR B 99 26.309 42.092 17.472 1.00 22.72 C +ATOM 3565 CD2 TYR B 99 24.941 40.932 15.890 1.00 17.99 C +ATOM 3566 CE1 TYR B 99 27.018 42.660 16.435 1.00 20.29 C +ATOM 3567 CE2 TYR B 99 25.648 41.500 14.863 1.00 19.77 C +ATOM 3568 CZ TYR B 99 26.680 42.368 15.136 1.00 17.87 C +ATOM 3569 OH TYR B 99 27.328 42.983 14.086 1.00 17.59 O +ATOM 3570 N LYS B 100 23.298 39.789 20.971 1.00 41.39 N +ATOM 3571 CA LYS B 100 22.216 39.479 21.898 1.00 45.09 C +ATOM 3572 C LYS B 100 22.383 40.037 23.298 1.00 45.22 C +ATOM 3573 O LYS B 100 21.424 40.633 23.821 1.00 45.43 O +ATOM 3574 CB LYS B 100 22.038 37.963 21.978 1.00 52.10 C +ATOM 3575 CG LYS B 100 21.205 37.410 20.826 1.00 55.00 C +ATOM 3576 CD LYS B 100 21.606 35.999 20.449 1.00 46.03 C +ATOM 3577 CE LYS B 100 23.085 36.019 20.072 1.00 55.00 C +ATOM 3578 NZ LYS B 100 23.471 37.245 19.279 1.00 43.44 N +ATOM 3579 N LYS B 101 23.517 39.878 23.970 1.00 38.98 N +ATOM 3580 CA LYS B 101 23.527 40.494 25.269 1.00 43.30 C +ATOM 3581 C LYS B 101 23.475 42.005 25.053 1.00 43.04 C +ATOM 3582 O LYS B 101 22.738 42.702 25.760 1.00 39.45 O +ATOM 3583 CB LYS B 101 24.778 40.128 26.076 1.00 47.21 C +ATOM 3584 CG LYS B 101 24.420 39.340 27.371 1.00 49.39 C +ATOM 3585 CD LYS B 101 23.393 40.084 28.264 1.00 55.00 C +ATOM 3586 CE LYS B 101 22.842 39.294 29.487 1.00 47.16 C +ATOM 3587 NZ LYS B 101 23.739 39.142 30.656 1.00 42.69 N +ATOM 3588 N PHE B 102 24.178 42.516 24.041 1.00 41.40 N +ATOM 3589 CA PHE B 102 24.165 43.961 23.816 1.00 37.49 C +ATOM 3590 C PHE B 102 22.785 44.494 23.454 1.00 35.61 C +ATOM 3591 O PHE B 102 22.362 45.545 23.975 1.00 45.48 O +ATOM 3592 CB PHE B 102 25.098 44.356 22.707 1.00 33.29 C +ATOM 3593 CG PHE B 102 25.442 45.812 22.725 1.00 34.45 C +ATOM 3594 CD1 PHE B 102 26.388 46.300 23.636 1.00 37.00 C +ATOM 3595 CD2 PHE B 102 24.856 46.700 21.824 1.00 30.26 C +ATOM 3596 CE1 PHE B 102 26.752 47.666 23.641 1.00 30.37 C +ATOM 3597 CE2 PHE B 102 25.214 48.058 21.822 1.00 28.37 C +ATOM 3598 CZ PHE B 102 26.163 48.533 22.731 1.00 33.87 C +ATOM 3599 N ARG B 103 22.067 43.792 22.590 1.00 28.86 N +ATOM 3600 CA ARG B 103 20.728 44.225 22.227 1.00 29.67 C +ATOM 3601 C ARG B 103 19.947 44.491 23.519 1.00 32.28 C +ATOM 3602 O ARG B 103 19.036 45.314 23.560 1.00 37.56 O +ATOM 3603 CB ARG B 103 20.048 43.129 21.405 1.00 39.46 C +ATOM 3604 CG ARG B 103 18.956 43.610 20.426 1.00 43.95 C +ATOM 3605 CD ARG B 103 18.323 42.440 19.636 1.00 39.97 C +ATOM 3606 NE ARG B 103 19.280 41.520 19.018 1.00 31.23 N +ATOM 3607 CZ ARG B 103 20.363 41.891 18.344 1.00 39.74 C +ATOM 3608 NH1 ARG B 103 20.653 43.172 18.186 1.00 41.47 N +ATOM 3609 NH2 ARG B 103 21.161 40.977 17.818 1.00 40.06 N +ATOM 3610 N GLN B 104 20.319 43.766 24.571 1.00 36.68 N +ATOM 3611 CA GLN B 104 19.729 43.908 25.893 1.00 36.85 C +ATOM 3612 C GLN B 104 20.252 45.120 26.663 1.00 35.07 C +ATOM 3613 O GLN B 104 19.432 45.907 27.118 1.00 43.70 O +ATOM 3614 CB GLN B 104 19.995 42.667 26.764 1.00 45.84 C +ATOM 3615 CG GLN B 104 19.316 41.355 26.350 1.00 50.71 C +ATOM 3616 CD GLN B 104 19.618 40.226 27.322 1.00 45.87 C +ATOM 3617 OE1 GLN B 104 20.110 40.452 28.428 1.00 49.19 O +ATOM 3618 NE2 GLN B 104 19.331 39.005 26.910 1.00 45.34 N +ATOM 3619 N LEU B 105 21.579 45.271 26.824 1.00 21.55 N +ATOM 3620 CA LEU B 105 22.144 46.383 27.587 1.00 14.59 C +ATOM 3621 C LEU B 105 21.600 47.704 27.146 1.00 22.70 C +ATOM 3622 O LEU B 105 21.640 48.661 27.937 1.00 28.95 O +ATOM 3623 CB LEU B 105 23.653 46.479 27.457 1.00 19.00 C +ATOM 3624 CG LEU B 105 24.525 45.496 28.237 1.00 36.59 C +ATOM 3625 CD1 LEU B 105 24.304 44.076 27.746 1.00 35.92 C +ATOM 3626 CD2 LEU B 105 25.997 45.893 28.046 1.00 39.67 C +ATOM 3627 N ILE B 106 21.144 47.777 25.889 1.00 22.99 N +ATOM 3628 CA ILE B 106 20.510 48.992 25.342 1.00 24.41 C +ATOM 3629 C ILE B 106 19.124 49.295 25.961 1.00 27.47 C +ATOM 3630 O ILE B 106 18.757 50.464 26.118 1.00 32.60 O +ATOM 3631 CB ILE B 106 20.402 48.840 23.792 1.00 33.40 C +ATOM 3632 CG1 ILE B 106 21.645 49.494 23.169 1.00 26.21 C +ATOM 3633 CG2 ILE B 106 19.084 49.410 23.283 1.00 27.21 C +ATOM 3634 CD1 ILE B 106 21.859 49.167 21.723 1.00 25.88 C +ATOM 3635 N GLN B 107 18.363 48.250 26.292 1.00 36.21 N +ATOM 3636 CA GLN B 107 17.030 48.326 26.947 1.00 39.50 C +ATOM 3637 C GLN B 107 17.081 48.867 28.391 1.00 43.18 C +ATOM 3638 O GLN B 107 16.069 49.346 28.912 1.00 45.64 O +ATOM 3639 CB GLN B 107 16.393 46.950 27.015 1.00 36.51 C +ATOM 3640 CG GLN B 107 16.034 46.394 25.701 1.00 43.78 C +ATOM 3641 CD GLN B 107 14.899 47.152 25.144 1.00 49.10 C +ATOM 3642 OE1 GLN B 107 14.085 47.705 25.894 1.00 55.00 O +ATOM 3643 NE2 GLN B 107 14.819 47.205 23.826 1.00 52.69 N +ATOM 3644 N VAL B 108 18.239 48.686 29.035 1.00 45.91 N +ATOM 3645 CA VAL B 108 18.577 49.115 30.401 1.00 46.45 C +ATOM 3646 C VAL B 108 19.060 50.571 30.411 1.00 50.06 C +ATOM 3647 O VAL B 108 18.607 51.412 31.205 1.00 45.24 O +ATOM 3648 CB VAL B 108 19.693 48.194 30.968 1.00 48.78 C +ATOM 3649 CG1 VAL B 108 20.397 48.868 32.132 1.00 49.98 C +ATOM 3650 CG2 VAL B 108 19.072 46.866 31.399 1.00 51.07 C +ATOM 3651 N ASN B 109 20.003 50.854 29.516 1.00 51.18 N +ATOM 3652 CA ASN B 109 20.571 52.186 29.392 1.00 49.47 C +ATOM 3653 C ASN B 109 20.694 52.580 27.909 1.00 49.01 C +ATOM 3654 O ASN B 109 21.276 51.836 27.122 1.00 48.13 O +ATOM 3655 CB ASN B 109 21.939 52.195 30.066 1.00 42.66 C +ATOM 3656 CG ASN B 109 22.599 53.558 30.019 1.00 45.82 C +ATOM 3657 OD1 ASN B 109 23.819 53.670 29.919 1.00 43.90 O +ATOM 3658 ND2 ASN B 109 21.794 54.607 30.097 1.00 37.43 N +ATOM 3659 N PRO B 110 20.122 53.735 27.503 1.00 44.84 N +ATOM 3660 CA PRO B 110 20.150 54.196 26.114 1.00 44.29 C +ATOM 3661 C PRO B 110 21.492 54.798 25.689 1.00 43.42 C +ATOM 3662 O PRO B 110 21.763 54.932 24.499 1.00 45.40 O +ATOM 3663 CB PRO B 110 18.997 55.190 26.047 1.00 44.19 C +ATOM 3664 CG PRO B 110 18.143 54.789 27.174 1.00 44.57 C +ATOM 3665 CD PRO B 110 19.197 54.610 28.232 1.00 44.70 C +ATOM 3666 N ASP B 111 22.336 55.156 26.648 1.00 40.76 N +ATOM 3667 CA ASP B 111 23.606 55.808 26.337 1.00 35.04 C +ATOM 3668 C ASP B 111 24.596 54.980 25.517 1.00 34.58 C +ATOM 3669 O ASP B 111 25.265 55.548 24.647 1.00 35.88 O +ATOM 3670 CB ASP B 111 24.286 56.232 27.622 1.00 31.26 C +ATOM 3671 CG ASP B 111 25.304 57.279 27.390 1.00 27.36 C +ATOM 3672 OD1 ASP B 111 24.898 58.459 27.399 1.00 30.57 O +ATOM 3673 OD2 ASP B 111 26.490 56.929 27.196 1.00 34.17 O +ATOM 3674 N ILE B 112 24.743 53.675 25.755 1.00 35.40 N +ATOM 3675 CA ILE B 112 25.715 52.980 24.913 1.00 31.11 C +ATOM 3676 C ILE B 112 25.213 52.937 23.462 1.00 28.23 C +ATOM 3677 O ILE B 112 25.987 53.187 22.570 1.00 21.24 O +ATOM 3678 CB ILE B 112 26.015 51.495 25.352 1.00 18.78 C +ATOM 3679 CG1 ILE B 112 25.611 51.203 26.785 1.00 16.34 C +ATOM 3680 CG2 ILE B 112 27.530 51.316 25.428 1.00 12.73 C +ATOM 3681 CD1 ILE B 112 24.152 50.990 26.965 1.00 29.32 C +ATOM 3682 N LEU B 113 23.945 52.670 23.196 1.00 21.42 N +ATOM 3683 CA LEU B 113 23.496 52.700 21.790 1.00 35.44 C +ATOM 3684 C LEU B 113 23.784 54.058 21.087 1.00 39.01 C +ATOM 3685 O LEU B 113 23.894 54.134 19.858 1.00 44.54 O +ATOM 3686 CB LEU B 113 21.989 52.451 21.676 1.00 38.71 C +ATOM 3687 CG LEU B 113 21.427 52.726 20.270 1.00 37.54 C +ATOM 3688 CD1 LEU B 113 22.001 51.741 19.230 1.00 36.43 C +ATOM 3689 CD2 LEU B 113 19.912 52.617 20.358 1.00 43.65 C +ATOM 3690 N MET B 114 23.839 55.140 21.851 1.00 45.57 N +ATOM 3691 CA MET B 114 24.156 56.429 21.262 1.00 40.81 C +ATOM 3692 C MET B 114 25.621 56.408 20.972 1.00 39.44 C +ATOM 3693 O MET B 114 26.039 56.667 19.842 1.00 46.20 O +ATOM 3694 CB MET B 114 23.905 57.598 22.209 1.00 32.30 C +ATOM 3695 CG MET B 114 22.466 58.001 22.452 1.00 34.46 C +ATOM 3696 SD MET B 114 21.836 59.359 21.419 1.00 38.84 S +ATOM 3697 CE MET B 114 23.270 60.518 21.406 1.00 30.50 C +ATOM 3698 N ARG B 115 26.409 56.083 21.996 1.00 33.43 N +ATOM 3699 CA ARG B 115 27.864 56.080 21.820 1.00 35.32 C +ATOM 3700 C ARG B 115 28.296 55.268 20.603 1.00 31.00 C +ATOM 3701 O ARG B 115 29.396 55.449 20.102 1.00 26.39 O +ATOM 3702 CB ARG B 115 28.544 55.532 23.073 1.00 37.53 C +ATOM 3703 CG ARG B 115 28.287 56.438 24.238 1.00 34.45 C +ATOM 3704 CD ARG B 115 29.291 56.170 25.323 1.00 42.05 C +ATOM 3705 NE ARG B 115 29.150 57.092 26.448 1.00 39.24 N +ATOM 3706 CZ ARG B 115 30.170 57.471 27.199 1.00 37.47 C +ATOM 3707 NH1 ARG B 115 31.383 57.002 26.929 1.00 44.91 N +ATOM 3708 NH2 ARG B 115 29.984 58.311 28.205 1.00 39.68 N +ATOM 3709 N LEU B 116 27.437 54.360 20.156 1.00 26.33 N +ATOM 3710 CA LEU B 116 27.684 53.629 18.940 1.00 20.90 C +ATOM 3711 C LEU B 116 27.368 54.581 17.779 1.00 22.04 C +ATOM 3712 O LEU B 116 28.260 55.045 17.061 1.00 12.77 O +ATOM 3713 CB LEU B 116 26.770 52.418 18.855 1.00 24.96 C +ATOM 3714 CG LEU B 116 26.723 51.829 17.441 1.00 31.68 C +ATOM 3715 CD1 LEU B 116 27.954 50.994 17.288 1.00 33.91 C +ATOM 3716 CD2 LEU B 116 25.448 51.011 17.197 1.00 28.00 C +ATOM 3717 N SER B 117 26.078 54.882 17.631 1.00 6.00 N +ATOM 3718 CA SER B 117 25.613 55.751 16.564 1.00 9.49 C +ATOM 3719 C SER B 117 26.467 57.004 16.351 1.00 8.50 C +ATOM 3720 O SER B 117 26.702 57.362 15.229 1.00 16.84 O +ATOM 3721 CB SER B 117 24.186 56.160 16.840 1.00 14.50 C +ATOM 3722 OG SER B 117 23.439 54.978 17.029 1.00 27.72 O +ATOM 3723 N ALA B 118 26.946 57.680 17.373 1.00 18.16 N +ATOM 3724 CA ALA B 118 27.784 58.817 17.061 1.00 25.91 C +ATOM 3725 C ALA B 118 28.911 58.309 16.164 1.00 26.83 C +ATOM 3726 O ALA B 118 29.224 58.853 15.083 1.00 17.64 O +ATOM 3727 CB ALA B 118 28.364 59.392 18.321 1.00 24.51 C +ATOM 3728 N GLN B 119 29.495 57.208 16.625 1.00 31.09 N +ATOM 3729 CA GLN B 119 30.617 56.579 15.943 1.00 32.55 C +ATOM 3730 C GLN B 119 30.248 56.338 14.439 1.00 31.63 C +ATOM 3731 O GLN B 119 30.899 56.868 13.533 1.00 30.13 O +ATOM 3732 CB GLN B 119 30.941 55.266 16.710 1.00 22.88 C +ATOM 3733 CG GLN B 119 32.426 54.920 16.958 1.00 29.70 C +ATOM 3734 CD GLN B 119 32.907 54.979 18.422 1.00 20.53 C +ATOM 3735 OE1 GLN B 119 34.106 54.935 18.692 1.00 28.26 O +ATOM 3736 NE2 GLN B 119 31.989 55.071 19.352 1.00 29.92 N +ATOM 3737 N MET B 120 29.182 55.597 14.161 1.00 25.81 N +ATOM 3738 CA MET B 120 28.810 55.369 12.771 1.00 24.00 C +ATOM 3739 C MET B 120 28.535 56.670 12.010 1.00 22.19 C +ATOM 3740 O MET B 120 28.673 56.734 10.797 1.00 30.05 O +ATOM 3741 CB MET B 120 27.564 54.493 12.688 1.00 18.75 C +ATOM 3742 CG MET B 120 27.719 53.140 13.321 1.00 14.42 C +ATOM 3743 SD MET B 120 26.207 52.193 13.016 1.00 21.76 S +ATOM 3744 CE MET B 120 25.128 53.111 14.061 1.00 18.57 C +ATOM 3745 N ALA B 121 28.129 57.700 12.726 1.00 14.97 N +ATOM 3746 CA ALA B 121 27.829 58.977 12.127 1.00 13.16 C +ATOM 3747 C ALA B 121 29.076 59.622 11.592 1.00 15.04 C +ATOM 3748 O ALA B 121 29.053 60.120 10.470 1.00 25.68 O +ATOM 3749 CB ALA B 121 27.195 59.893 13.140 1.00 30.92 C +ATOM 3750 N ARG B 122 30.176 59.625 12.319 1.00 6.00 N +ATOM 3751 CA ARG B 122 31.260 60.284 11.666 1.00 12.43 C +ATOM 3752 C ARG B 122 31.847 59.419 10.595 1.00 21.97 C +ATOM 3753 O ARG B 122 32.390 59.942 9.596 1.00 32.36 O +ATOM 3754 CB ARG B 122 32.334 60.698 12.668 1.00 15.11 C +ATOM 3755 CG ARG B 122 31.812 61.893 13.549 1.00 32.79 C +ATOM 3756 CD ARG B 122 30.726 62.871 12.887 1.00 34.68 C +ATOM 3757 NE ARG B 122 31.056 63.570 11.623 1.00 40.65 N +ATOM 3758 CZ ARG B 122 30.204 64.329 10.910 1.00 35.47 C +ATOM 3759 NH1 ARG B 122 28.954 64.524 11.289 1.00 35.14 N +ATOM 3760 NH2 ARG B 122 30.587 64.922 9.795 1.00 36.21 N +ATOM 3761 N ARG B 123 31.721 58.102 10.752 1.00 31.72 N +ATOM 3762 CA ARG B 123 32.241 57.213 9.707 1.00 28.48 C +ATOM 3763 C ARG B 123 31.423 57.307 8.437 1.00 22.27 C +ATOM 3764 O ARG B 123 31.967 57.063 7.392 1.00 18.23 O +ATOM 3765 CB ARG B 123 32.245 55.759 10.162 1.00 22.47 C +ATOM 3766 CG ARG B 123 33.297 55.490 11.184 1.00 20.81 C +ATOM 3767 CD ARG B 123 32.973 54.200 11.837 1.00 20.58 C +ATOM 3768 NE ARG B 123 33.871 53.904 12.936 1.00 21.43 N +ATOM 3769 CZ ARG B 123 33.573 53.029 13.890 1.00 21.50 C +ATOM 3770 NH1 ARG B 123 32.408 52.379 13.885 1.00 17.90 N +ATOM 3771 NH2 ARG B 123 34.455 52.779 14.828 1.00 19.75 N +ATOM 3772 N LEU B 124 30.137 57.636 8.492 1.00 12.68 N +ATOM 3773 CA LEU B 124 29.429 57.745 7.231 1.00 9.16 C +ATOM 3774 C LEU B 124 29.859 59.048 6.586 1.00 14.29 C +ATOM 3775 O LEU B 124 29.702 59.226 5.394 1.00 20.26 O +ATOM 3776 CB LEU B 124 27.903 57.731 7.445 1.00 10.60 C +ATOM 3777 CG LEU B 124 26.979 57.641 6.209 1.00 20.56 C +ATOM 3778 CD1 LEU B 124 25.547 57.180 6.558 1.00 17.46 C +ATOM 3779 CD2 LEU B 124 26.898 59.032 5.612 1.00 28.61 C +ATOM 3780 N GLN B 125 30.432 59.970 7.360 1.00 18.57 N +ATOM 3781 CA GLN B 125 30.872 61.227 6.759 1.00 20.30 C +ATOM 3782 C GLN B 125 32.277 61.071 6.209 1.00 16.47 C +ATOM 3783 O GLN B 125 32.545 61.484 5.080 1.00 24.07 O +ATOM 3784 CB GLN B 125 30.843 62.376 7.787 1.00 19.67 C +ATOM 3785 CG GLN B 125 30.854 63.805 7.135 1.00 37.57 C +ATOM 3786 CD GLN B 125 32.149 64.214 6.380 1.00 39.27 C +ATOM 3787 OE1 GLN B 125 32.143 64.407 5.158 1.00 49.89 O +ATOM 3788 NE2 GLN B 125 33.246 64.361 7.114 1.00 35.42 N +ATOM 3789 N VAL B 126 33.175 60.504 7.000 1.00 6.00 N +ATOM 3790 CA VAL B 126 34.537 60.277 6.538 1.00 8.95 C +ATOM 3791 C VAL B 126 34.529 59.417 5.202 1.00 15.59 C +ATOM 3792 O VAL B 126 35.297 59.712 4.276 1.00 20.00 O +ATOM 3793 CB VAL B 126 35.380 59.550 7.721 1.00 8.30 C +ATOM 3794 CG1 VAL B 126 34.905 58.180 7.894 1.00 15.07 C +ATOM 3795 CG2 VAL B 126 36.873 59.493 7.417 1.00 7.72 C +ATOM 3796 N THR B 127 33.644 58.404 5.088 1.00 19.23 N +ATOM 3797 CA THR B 127 33.524 57.507 3.918 1.00 15.40 C +ATOM 3798 C THR B 127 32.979 58.201 2.645 1.00 16.94 C +ATOM 3799 O THR B 127 33.559 58.063 1.576 1.00 19.91 O +ATOM 3800 CB THR B 127 32.610 56.314 4.253 1.00 24.38 C +ATOM 3801 OG1 THR B 127 33.053 55.680 5.450 1.00 31.04 O +ATOM 3802 CG2 THR B 127 32.682 55.284 3.172 1.00 23.17 C +ATOM 3803 N SER B 128 31.845 58.894 2.750 1.00 10.80 N +ATOM 3804 CA SER B 128 31.315 59.674 1.655 1.00 7.58 C +ATOM 3805 C SER B 128 32.423 60.618 1.070 1.00 12.15 C +ATOM 3806 O SER B 128 32.607 60.720 -0.158 1.00 8.04 O +ATOM 3807 CB SER B 128 30.150 60.476 2.167 1.00 7.96 C +ATOM 3808 OG SER B 128 29.043 59.650 2.485 1.00 6.00 O +ATOM 3809 N GLU B 129 33.206 61.266 1.927 1.00 11.45 N +ATOM 3810 CA GLU B 129 34.292 62.120 1.433 1.00 11.66 C +ATOM 3811 C GLU B 129 35.148 61.257 0.502 1.00 11.95 C +ATOM 3812 O GLU B 129 35.290 61.536 -0.678 1.00 24.96 O +ATOM 3813 CB GLU B 129 35.167 62.635 2.591 1.00 6.00 C +ATOM 3814 CG GLU B 129 35.610 64.074 2.373 1.00 23.00 C +ATOM 3815 CD GLU B 129 36.908 64.446 3.091 1.00 20.21 C +ATOM 3816 OE1 GLU B 129 36.893 64.789 4.286 1.00 31.85 O +ATOM 3817 OE2 GLU B 129 37.975 64.394 2.452 1.00 27.65 O +ATOM 3818 N LYS B 130 35.689 60.177 1.048 1.00 16.14 N +ATOM 3819 CA LYS B 130 36.500 59.203 0.321 1.00 14.93 C +ATOM 3820 C LYS B 130 35.835 58.836 -1.036 1.00 14.28 C +ATOM 3821 O LYS B 130 36.557 58.632 -2.001 1.00 11.83 O +ATOM 3822 CB LYS B 130 36.679 57.962 1.231 1.00 16.37 C +ATOM 3823 CG LYS B 130 37.362 56.738 0.607 1.00 19.85 C +ATOM 3824 CD LYS B 130 38.604 56.245 1.372 1.00 21.79 C +ATOM 3825 CE LYS B 130 39.044 54.827 0.869 1.00 21.85 C +ATOM 3826 NZ LYS B 130 40.374 54.326 1.362 1.00 21.02 N +ATOM 3827 N VAL B 131 34.504 58.722 -1.147 1.00 6.00 N +ATOM 3828 CA VAL B 131 33.939 58.472 -2.470 1.00 11.08 C +ATOM 3829 C VAL B 131 34.271 59.690 -3.361 1.00 10.79 C +ATOM 3830 O VAL B 131 34.871 59.550 -4.417 1.00 20.71 O +ATOM 3831 CB VAL B 131 32.384 58.300 -2.432 1.00 16.43 C +ATOM 3832 CG1 VAL B 131 31.804 58.196 -3.843 1.00 6.00 C +ATOM 3833 CG2 VAL B 131 32.042 57.038 -1.676 1.00 22.52 C +ATOM 3834 N GLY B 132 33.937 60.888 -2.902 1.00 12.82 N +ATOM 3835 CA GLY B 132 34.188 62.114 -3.661 1.00 15.93 C +ATOM 3836 C GLY B 132 35.634 62.332 -4.073 1.00 17.35 C +ATOM 3837 O GLY B 132 35.883 62.873 -5.145 1.00 25.45 O +ATOM 3838 N ASN B 133 36.597 61.971 -3.240 1.00 6.00 N +ATOM 3839 CA ASN B 133 37.972 62.101 -3.636 1.00 6.00 C +ATOM 3840 C ASN B 133 38.319 61.114 -4.754 1.00 10.86 C +ATOM 3841 O ASN B 133 39.092 61.416 -5.648 1.00 26.23 O +ATOM 3842 CB ASN B 133 38.888 61.825 -2.467 1.00 15.42 C +ATOM 3843 CG ASN B 133 38.730 62.820 -1.357 1.00 25.45 C +ATOM 3844 OD1 ASN B 133 37.754 63.590 -1.328 1.00 34.73 O +ATOM 3845 ND2 ASN B 133 39.691 62.820 -0.424 1.00 20.65 N +ATOM 3846 N LEU B 134 37.789 59.904 -4.678 1.00 14.24 N +ATOM 3847 CA LEU B 134 38.072 58.891 -5.658 1.00 8.73 C +ATOM 3848 C LEU B 134 37.540 59.307 -6.984 1.00 15.86 C +ATOM 3849 O LEU B 134 38.081 58.944 -8.014 1.00 17.35 O +ATOM 3850 CB LEU B 134 37.429 57.578 -5.255 1.00 17.51 C +ATOM 3851 CG LEU B 134 38.083 56.840 -4.100 1.00 8.07 C +ATOM 3852 CD1 LEU B 134 37.243 55.649 -3.672 1.00 11.18 C +ATOM 3853 CD2 LEU B 134 39.427 56.402 -4.546 1.00 12.76 C +ATOM 3854 N ALA B 135 36.486 60.101 -6.965 1.00 6.03 N +ATOM 3855 CA ALA B 135 35.852 60.491 -8.198 1.00 12.61 C +ATOM 3856 C ALA B 135 36.146 61.897 -8.755 1.00 14.83 C +ATOM 3857 O ALA B 135 35.803 62.150 -9.922 1.00 11.33 O +ATOM 3858 CB ALA B 135 34.377 60.337 -8.022 1.00 12.38 C +ATOM 3859 N PHE B 136 36.716 62.801 -7.957 1.00 11.80 N +ATOM 3860 CA PHE B 136 36.961 64.184 -8.384 1.00 18.03 C +ATOM 3861 C PHE B 136 38.460 64.559 -8.507 1.00 20.12 C +ATOM 3862 O PHE B 136 38.845 65.383 -9.340 1.00 26.36 O +ATOM 3863 CB PHE B 136 36.297 65.172 -7.390 1.00 10.56 C +ATOM 3864 CG PHE B 136 34.769 65.186 -7.404 1.00 19.16 C +ATOM 3865 CD1 PHE B 136 34.038 64.808 -8.531 1.00 15.55 C +ATOM 3866 CD2 PHE B 136 34.069 65.603 -6.278 1.00 8.01 C +ATOM 3867 CE1 PHE B 136 32.633 64.847 -8.532 1.00 21.46 C +ATOM 3868 CE2 PHE B 136 32.700 65.641 -6.278 1.00 16.09 C +ATOM 3869 CZ PHE B 136 31.968 65.261 -7.416 1.00 15.36 C +ATOM 3870 N LEU B 137 39.276 63.989 -7.634 1.00 12.22 N +ATOM 3871 CA LEU B 137 40.702 64.241 -7.543 1.00 15.52 C +ATOM 3872 C LEU B 137 41.508 63.185 -8.305 1.00 18.41 C +ATOM 3873 O LEU B 137 41.146 62.006 -8.312 1.00 23.05 O +ATOM 3874 CB LEU B 137 41.104 64.244 -6.055 1.00 18.00 C +ATOM 3875 CG LEU B 137 40.643 65.305 -5.042 1.00 13.34 C +ATOM 3876 CD1 LEU B 137 39.145 65.354 -4.903 1.00 20.49 C +ATOM 3877 CD2 LEU B 137 41.215 64.948 -3.727 1.00 16.84 C +ATOM 3878 N ASP B 138 42.584 63.577 -8.970 1.00 22.68 N +ATOM 3879 CA ASP B 138 43.387 62.577 -9.636 1.00 22.09 C +ATOM 3880 C ASP B 138 44.246 61.970 -8.544 1.00 25.28 C +ATOM 3881 O ASP B 138 44.199 62.453 -7.414 1.00 36.18 O +ATOM 3882 CB ASP B 138 44.219 63.250 -10.731 1.00 28.70 C +ATOM 3883 CG ASP B 138 45.076 64.429 -10.232 1.00 37.04 C +ATOM 3884 OD1 ASP B 138 45.119 64.716 -8.994 1.00 34.49 O +ATOM 3885 OD2 ASP B 138 45.714 65.068 -11.122 1.00 29.88 O +ATOM 3886 N VAL B 139 45.057 60.958 -8.811 1.00 24.71 N +ATOM 3887 CA VAL B 139 45.800 60.372 -7.694 1.00 21.17 C +ATOM 3888 C VAL B 139 46.641 61.350 -6.907 1.00 19.93 C +ATOM 3889 O VAL B 139 46.610 61.356 -5.677 1.00 24.54 O +ATOM 3890 CB VAL B 139 46.744 59.261 -8.151 1.00 17.54 C +ATOM 3891 CG1 VAL B 139 47.612 59.765 -9.247 1.00 20.87 C +ATOM 3892 CG2 VAL B 139 47.635 58.818 -6.997 1.00 21.72 C +ATOM 3893 N THR B 140 47.378 62.182 -7.606 1.00 15.47 N +ATOM 3894 CA THR B 140 48.290 63.094 -6.948 1.00 23.09 C +ATOM 3895 C THR B 140 47.601 63.827 -5.830 1.00 23.55 C +ATOM 3896 O THR B 140 48.171 64.024 -4.763 1.00 32.52 O +ATOM 3897 CB THR B 140 48.830 64.122 -7.930 1.00 36.35 C +ATOM 3898 OG1 THR B 140 49.309 63.447 -9.099 1.00 49.26 O +ATOM 3899 CG2 THR B 140 49.975 64.901 -7.312 1.00 37.86 C +ATOM 3900 N GLY B 141 46.350 64.191 -6.075 1.00 28.77 N +ATOM 3901 CA GLY B 141 45.581 64.957 -5.103 1.00 31.58 C +ATOM 3902 C GLY B 141 45.141 64.130 -3.924 1.00 31.19 C +ATOM 3903 O GLY B 141 45.248 64.560 -2.763 1.00 37.76 O +ATOM 3904 N ARG B 142 44.603 62.956 -4.223 1.00 31.85 N +ATOM 3905 CA ARG B 142 44.211 62.081 -3.157 1.00 25.46 C +ATOM 3906 C ARG B 142 45.450 61.869 -2.261 1.00 25.68 C +ATOM 3907 O ARG B 142 45.363 62.027 -1.069 1.00 27.72 O +ATOM 3908 CB ARG B 142 43.722 60.763 -3.742 1.00 22.37 C +ATOM 3909 CG ARG B 142 42.500 60.883 -4.651 1.00 26.83 C +ATOM 3910 CD ARG B 142 41.977 59.512 -5.169 1.00 23.63 C +ATOM 3911 NE ARG B 142 42.940 58.803 -6.021 1.00 25.58 N +ATOM 3912 CZ ARG B 142 42.659 57.742 -6.776 1.00 26.34 C +ATOM 3913 NH1 ARG B 142 41.441 57.241 -6.792 1.00 34.31 N +ATOM 3914 NH2 ARG B 142 43.585 57.196 -7.543 1.00 19.41 N +ATOM 3915 N ILE B 143 46.626 61.591 -2.804 1.00 26.20 N +ATOM 3916 CA ILE B 143 47.767 61.371 -1.927 1.00 22.59 C +ATOM 3917 C ILE B 143 48.079 62.556 -1.008 1.00 26.27 C +ATOM 3918 O ILE B 143 48.538 62.353 0.115 1.00 26.91 O +ATOM 3919 CB ILE B 143 49.051 61.046 -2.743 1.00 22.51 C +ATOM 3920 CG1 ILE B 143 48.902 59.687 -3.421 1.00 15.96 C +ATOM 3921 CG2 ILE B 143 50.274 60.991 -1.812 1.00 22.73 C +ATOM 3922 CD1 ILE B 143 50.195 59.206 -4.005 1.00 22.99 C +ATOM 3923 N ALA B 144 47.855 63.789 -1.445 1.00 26.86 N +ATOM 3924 CA ALA B 144 48.167 64.906 -0.564 1.00 30.91 C +ATOM 3925 C ALA B 144 47.135 65.015 0.571 1.00 33.44 C +ATOM 3926 O ALA B 144 47.458 65.510 1.658 1.00 31.27 O +ATOM 3927 CB ALA B 144 48.207 66.195 -1.368 1.00 31.26 C +ATOM 3928 N GLN B 145 45.893 64.597 0.321 1.00 26.00 N +ATOM 3929 CA GLN B 145 44.905 64.565 1.390 1.00 28.49 C +ATOM 3930 C GLN B 145 45.285 63.446 2.373 1.00 32.20 C +ATOM 3931 O GLN B 145 45.200 63.601 3.600 1.00 35.21 O +ATOM 3932 CB GLN B 145 43.509 64.298 0.828 1.00 33.11 C +ATOM 3933 CG GLN B 145 42.873 65.530 0.117 1.00 39.62 C +ATOM 3934 CD GLN B 145 41.639 66.075 0.844 1.00 39.15 C +ATOM 3935 OE1 GLN B 145 41.691 66.411 2.036 1.00 35.62 O +ATOM 3936 NE2 GLN B 145 40.515 66.150 0.123 1.00 48.64 N +ATOM 3937 N THR B 146 45.706 62.307 1.838 1.00 31.18 N +ATOM 3938 CA THR B 146 46.137 61.186 2.663 1.00 25.08 C +ATOM 3939 C THR B 146 47.327 61.604 3.537 1.00 24.65 C +ATOM 3940 O THR B 146 47.277 61.392 4.750 1.00 22.06 O +ATOM 3941 CB THR B 146 46.500 60.021 1.735 1.00 16.96 C +ATOM 3942 OG1 THR B 146 45.279 59.522 1.188 1.00 14.17 O +ATOM 3943 CG2 THR B 146 47.273 58.931 2.452 1.00 24.20 C +ATOM 3944 N LEU B 147 48.358 62.221 2.936 1.00 21.29 N +ATOM 3945 CA LEU B 147 49.525 62.693 3.678 1.00 23.74 C +ATOM 3946 C LEU B 147 49.137 63.771 4.687 1.00 26.49 C +ATOM 3947 O LEU B 147 49.794 63.955 5.719 1.00 32.72 O +ATOM 3948 CB LEU B 147 50.582 63.227 2.706 1.00 30.23 C +ATOM 3949 CG LEU B 147 51.070 62.103 1.774 1.00 32.85 C +ATOM 3950 CD1 LEU B 147 52.528 62.339 1.401 1.00 25.47 C +ATOM 3951 CD2 LEU B 147 50.994 60.760 2.493 1.00 31.35 C +ATOM 3952 N LEU B 148 48.045 64.580 4.591 1.00 30.37 N +ATOM 3953 CA LEU B 148 47.562 65.608 5.485 1.00 33.47 C +ATOM 3954 C LEU B 148 46.823 64.850 6.610 1.00 30.49 C +ATOM 3955 O LEU B 148 47.376 64.706 7.697 1.00 29.91 O +ATOM 3956 CB LEU B 148 46.619 66.555 4.722 1.00 35.58 C +ATOM 3957 CG LEU B 148 47.059 68.031 4.696 1.00 43.84 C +ATOM 3958 CD1 LEU B 148 48.463 68.129 4.098 1.00 43.67 C +ATOM 3959 CD2 LEU B 148 46.048 68.862 3.895 1.00 37.67 C +ATOM 3960 N ASN B 149 45.649 64.280 6.298 1.00 29.34 N +ATOM 3961 CA ASN B 149 44.803 63.477 7.202 1.00 30.43 C +ATOM 3962 C ASN B 149 45.559 62.391 7.989 1.00 36.59 C +ATOM 3963 O ASN B 149 45.274 62.183 9.182 1.00 44.05 O +ATOM 3964 CB ASN B 149 43.657 62.803 6.404 1.00 43.77 C +ATOM 3965 CG ASN B 149 42.532 63.796 5.972 1.00 50.50 C +ATOM 3966 OD1 ASN B 149 41.773 64.313 6.807 1.00 54.81 O +ATOM 3967 ND2 ASN B 149 42.420 64.045 4.665 1.00 44.07 N +ATOM 3968 N LEU B 150 46.500 61.686 7.368 1.00 28.20 N +ATOM 3969 CA LEU B 150 47.252 60.701 8.124 1.00 29.00 C +ATOM 3970 C LEU B 150 48.101 61.383 9.160 1.00 30.94 C +ATOM 3971 O LEU B 150 48.020 61.119 10.362 1.00 33.30 O +ATOM 3972 CB LEU B 150 48.197 59.900 7.237 1.00 30.48 C +ATOM 3973 CG LEU B 150 47.712 58.822 6.268 1.00 32.55 C +ATOM 3974 CD1 LEU B 150 48.860 58.436 5.328 1.00 25.04 C +ATOM 3975 CD2 LEU B 150 47.206 57.619 7.068 1.00 33.40 C +ATOM 3976 N ALA B 151 48.945 62.260 8.640 1.00 35.89 N +ATOM 3977 CA ALA B 151 49.911 62.994 9.425 1.00 38.49 C +ATOM 3978 C ALA B 151 49.263 63.982 10.393 1.00 38.55 C +ATOM 3979 O ALA B 151 49.517 65.171 10.334 1.00 35.91 O +ATOM 3980 CB ALA B 151 50.849 63.716 8.469 1.00 37.11 C +ATOM 3981 N LYS B 152 48.456 63.474 11.311 1.00 39.55 N +ATOM 3982 CA LYS B 152 47.762 64.290 12.310 1.00 39.82 C +ATOM 3983 C LYS B 152 47.097 63.343 13.328 1.00 45.40 C +ATOM 3984 O LYS B 152 47.347 63.475 14.534 1.00 50.61 O +ATOM 3985 CB LYS B 152 46.696 65.171 11.637 1.00 44.12 C +ATOM 3986 CG LYS B 152 45.904 66.075 12.594 1.00 48.42 C +ATOM 3987 CD LYS B 152 44.689 66.680 11.891 1.00 51.82 C +ATOM 3988 CE LYS B 152 43.669 67.278 12.877 1.00 52.07 C +ATOM 3989 NZ LYS B 152 44.139 68.422 13.702 1.00 40.63 N +ATOM 3990 N GLN B 153 46.273 62.400 12.850 1.00 45.18 N +ATOM 3991 CA GLN B 153 45.621 61.377 13.690 1.00 44.36 C +ATOM 3992 C GLN B 153 46.688 60.682 14.582 1.00 46.16 C +ATOM 3993 O GLN B 153 47.806 60.444 14.116 1.00 51.06 O +ATOM 3994 CB GLN B 153 44.957 60.339 12.782 1.00 45.12 C +ATOM 3995 CG GLN B 153 44.263 59.139 13.463 1.00 44.46 C +ATOM 3996 CD GLN B 153 43.840 58.040 12.459 1.00 42.69 C +ATOM 3997 OE1 GLN B 153 44.689 57.485 11.756 1.00 36.97 O +ATOM 3998 NE2 GLN B 153 42.536 57.732 12.394 1.00 37.00 N +ATOM 3999 N PRO B 154 46.375 60.349 15.856 1.00 44.48 N +ATOM 4000 CA PRO B 154 47.330 59.796 16.833 1.00 45.29 C +ATOM 4001 C PRO B 154 48.086 58.512 16.433 1.00 48.40 C +ATOM 4002 O PRO B 154 47.643 57.383 16.624 1.00 51.99 O +ATOM 4003 CB PRO B 154 46.486 59.655 18.092 1.00 50.13 C +ATOM 4004 CG PRO B 154 45.624 60.875 18.000 1.00 55.00 C +ATOM 4005 CD PRO B 154 45.092 60.628 16.568 1.00 47.81 C +ATOM 4006 N ASP B 155 49.271 58.836 15.919 1.00 47.86 N +ATOM 4007 CA ASP B 155 50.307 57.924 15.422 1.00 48.66 C +ATOM 4008 C ASP B 155 51.511 58.767 15.104 1.00 49.94 C +ATOM 4009 O ASP B 155 52.688 58.380 15.158 1.00 45.02 O +ATOM 4010 CB ASP B 155 49.861 57.155 14.123 1.00 55.00 C +ATOM 4011 CG ASP B 155 50.571 57.591 12.799 1.00 54.97 C +ATOM 4012 OD1 ASP B 155 51.786 57.298 12.542 1.00 44.54 O +ATOM 4013 OD2 ASP B 155 49.881 58.230 11.960 1.00 44.54 O +ATOM 4014 N ALA B 156 51.065 59.955 14.702 1.00 54.47 N +ATOM 4015 CA ALA B 156 51.808 61.123 14.319 1.00 55.00 C +ATOM 4016 C ALA B 156 52.422 61.689 15.583 1.00 55.00 C +ATOM 4017 O ALA B 156 51.773 61.763 16.654 1.00 53.46 O +ATOM 4018 CB ALA B 156 50.866 62.140 13.676 1.00 51.25 C +ATOM 4019 N MET B 157 53.699 62.030 15.458 1.00 55.00 N +ATOM 4020 CA MET B 157 54.425 62.628 16.543 1.00 55.00 C +ATOM 4021 C MET B 157 55.127 63.893 16.017 1.00 55.00 C +ATOM 4022 O MET B 157 55.805 63.932 14.963 1.00 48.49 O +ATOM 4023 CB MET B 157 55.408 61.583 17.129 1.00 53.29 C +ATOM 4024 CG MET B 157 56.129 60.751 16.143 1.00 48.98 C +ATOM 4025 SD MET B 157 57.179 61.862 15.329 1.00 51.78 S +ATOM 4026 CE MET B 157 58.818 61.278 16.015 1.00 52.50 C +ATOM 4027 N THR B 158 54.837 64.933 16.804 1.00 55.00 N +ATOM 4028 CA THR B 158 55.202 66.330 16.660 1.00 53.39 C +ATOM 4029 C THR B 158 56.591 66.580 16.122 1.00 48.24 C +ATOM 4030 O THR B 158 57.573 66.618 16.859 1.00 49.13 O +ATOM 4031 CB THR B 158 55.025 67.036 18.043 1.00 50.88 C +ATOM 4032 OG1 THR B 158 55.915 66.474 19.026 1.00 55.00 O +ATOM 4033 CG2 THR B 158 53.585 66.830 18.536 1.00 53.52 C +ATOM 4034 N HIS B 159 56.673 66.718 14.810 1.00 44.88 N +ATOM 4035 CA HIS B 159 57.934 67.045 14.200 1.00 43.77 C +ATOM 4036 C HIS B 159 58.139 68.524 14.441 1.00 46.40 C +ATOM 4037 O HIS B 159 57.165 69.284 14.555 1.00 40.91 O +ATOM 4038 CB HIS B 159 57.866 66.743 12.726 1.00 46.27 C +ATOM 4039 CG HIS B 159 59.066 67.176 11.945 1.00 55.00 C +ATOM 4040 ND1 HIS B 159 59.009 68.169 10.989 1.00 53.65 N +ATOM 4041 CD2 HIS B 159 60.344 66.723 11.944 1.00 55.00 C +ATOM 4042 CE1 HIS B 159 60.197 68.309 10.429 1.00 54.98 C +ATOM 4043 NE2 HIS B 159 61.025 67.444 10.990 1.00 55.00 N +ATOM 4044 N PRO B 160 59.399 68.952 14.550 1.00 44.57 N +ATOM 4045 CA PRO B 160 59.632 70.383 14.673 1.00 46.27 C +ATOM 4046 C PRO B 160 58.796 71.180 13.693 1.00 47.62 C +ATOM 4047 O PRO B 160 57.881 71.903 14.096 1.00 42.67 O +ATOM 4048 CB PRO B 160 61.154 70.500 14.484 1.00 49.93 C +ATOM 4049 CG PRO B 160 61.561 69.150 13.850 1.00 44.48 C +ATOM 4050 CD PRO B 160 60.694 68.242 14.655 1.00 45.18 C +ATOM 4051 N ASP B 161 59.066 70.972 12.411 1.00 47.88 N +ATOM 4052 CA ASP B 161 58.380 71.698 11.349 1.00 51.76 C +ATOM 4053 C ASP B 161 57.628 70.797 10.384 1.00 48.81 C +ATOM 4054 O ASP B 161 58.151 70.392 9.354 1.00 50.04 O +ATOM 4055 CB ASP B 161 59.406 72.557 10.585 1.00 53.23 C +ATOM 4056 CG ASP B 161 60.731 71.835 10.313 1.00 54.50 C +ATOM 4057 OD1 ASP B 161 61.110 70.922 11.084 1.00 55.00 O +ATOM 4058 OD2 ASP B 161 61.413 72.204 9.327 1.00 46.76 O +ATOM 4059 N GLY B 162 56.383 70.510 10.753 1.00 51.92 N +ATOM 4060 CA GLY B 162 55.512 69.638 9.978 1.00 55.00 C +ATOM 4061 C GLY B 162 55.595 68.232 10.546 1.00 53.21 C +ATOM 4062 O GLY B 162 56.650 67.598 10.457 1.00 54.57 O +ATOM 4063 N MET B 163 54.503 67.717 11.099 1.00 49.86 N +ATOM 4064 CA MET B 163 54.551 66.403 11.744 1.00 52.68 C +ATOM 4065 C MET B 163 55.250 65.317 10.867 1.00 47.70 C +ATOM 4066 O MET B 163 55.523 65.524 9.678 1.00 48.63 O +ATOM 4067 CB MET B 163 53.094 66.005 12.107 1.00 55.00 C +ATOM 4068 CG MET B 163 52.847 65.613 13.614 1.00 55.00 C +ATOM 4069 SD MET B 163 51.658 66.625 14.644 1.00 55.00 S +ATOM 4070 CE MET B 163 50.143 65.568 14.809 1.00 46.43 C +ATOM 4071 N GLN B 164 55.587 64.186 11.483 1.00 45.05 N +ATOM 4072 CA GLN B 164 56.250 63.059 10.807 1.00 43.95 C +ATOM 4073 C GLN B 164 55.277 61.874 10.714 1.00 38.80 C +ATOM 4074 O GLN B 164 54.162 61.981 11.192 1.00 38.75 O +ATOM 4075 CB GLN B 164 57.496 62.639 11.615 1.00 48.68 C +ATOM 4076 CG GLN B 164 58.425 61.637 10.902 1.00 53.71 C +ATOM 4077 CD GLN B 164 59.448 60.940 11.809 1.00 55.00 C +ATOM 4078 OE1 GLN B 164 59.585 59.718 11.753 1.00 55.00 O +ATOM 4079 NE2 GLN B 164 60.168 61.701 12.630 1.00 54.88 N +ATOM 4080 N ILE B 165 55.668 60.766 10.087 1.00 39.47 N +ATOM 4081 CA ILE B 165 54.848 59.541 10.067 1.00 38.70 C +ATOM 4082 C ILE B 165 55.505 58.363 9.356 1.00 42.11 C +ATOM 4083 O ILE B 165 56.317 58.519 8.432 1.00 40.68 O +ATOM 4084 CB ILE B 165 53.459 59.695 9.359 1.00 37.04 C +ATOM 4085 CG1 ILE B 165 53.525 60.791 8.302 1.00 38.07 C +ATOM 4086 CG2 ILE B 165 52.397 59.929 10.390 1.00 31.08 C +ATOM 4087 CD1 ILE B 165 52.279 60.817 7.436 1.00 33.42 C +ATOM 4088 N LYS B 166 55.144 57.160 9.798 1.00 43.75 N +ATOM 4089 CA LYS B 166 55.686 55.965 9.170 1.00 47.50 C +ATOM 4090 C LYS B 166 54.650 55.228 8.317 1.00 44.84 C +ATOM 4091 O LYS B 166 53.716 54.611 8.843 1.00 50.95 O +ATOM 4092 CB LYS B 166 56.245 55.005 10.245 1.00 47.59 C +ATOM 4093 CG LYS B 166 57.686 55.344 10.697 1.00 49.51 C +ATOM 4094 CD LYS B 166 58.351 54.263 11.567 1.00 46.92 C +ATOM 4095 CE LYS B 166 59.844 54.562 11.843 1.00 45.09 C +ATOM 4096 NZ LYS B 166 60.114 55.861 12.545 1.00 42.81 N +ATOM 4097 N ILE B 167 54.787 55.324 6.996 1.00 42.84 N +ATOM 4098 CA ILE B 167 53.883 54.597 6.088 1.00 37.44 C +ATOM 4099 C ILE B 167 54.693 54.168 4.864 1.00 33.72 C +ATOM 4100 O ILE B 167 55.668 54.814 4.513 1.00 28.89 O +ATOM 4101 CB ILE B 167 52.654 55.497 5.634 1.00 28.54 C +ATOM 4102 CG1 ILE B 167 51.650 54.670 4.830 1.00 16.11 C +ATOM 4103 CG2 ILE B 167 53.118 56.624 4.818 1.00 23.25 C +ATOM 4104 CD1 ILE B 167 50.659 53.871 5.696 1.00 18.41 C +ATOM 4105 N THR B 168 54.336 53.032 4.283 1.00 30.38 N +ATOM 4106 CA THR B 168 55.007 52.518 3.096 1.00 29.20 C +ATOM 4107 C THR B 168 54.283 53.040 1.879 1.00 28.14 C +ATOM 4108 O THR B 168 53.057 53.222 1.946 1.00 29.74 O +ATOM 4109 CB THR B 168 54.975 50.942 3.031 1.00 34.90 C +ATOM 4110 OG1 THR B 168 53.696 50.484 3.520 1.00 38.08 O +ATOM 4111 CG2 THR B 168 56.127 50.314 3.840 1.00 31.41 C +ATOM 4112 N ARG B 169 54.996 53.268 0.773 1.00 18.87 N +ATOM 4113 CA ARG B 169 54.295 53.668 -0.445 1.00 15.33 C +ATOM 4114 C ARG B 169 53.244 52.570 -0.811 1.00 17.77 C +ATOM 4115 O ARG B 169 52.151 52.828 -1.386 1.00 16.18 O +ATOM 4116 CB ARG B 169 55.295 53.852 -1.577 1.00 16.77 C +ATOM 4117 CG ARG B 169 56.111 55.106 -1.384 1.00 29.63 C +ATOM 4118 CD ARG B 169 57.513 54.870 -0.805 1.00 36.28 C +ATOM 4119 NE ARG B 169 58.067 56.128 -0.303 1.00 41.15 N +ATOM 4120 CZ ARG B 169 59.200 56.238 0.379 1.00 44.31 C +ATOM 4121 NH1 ARG B 169 59.920 55.159 0.635 1.00 44.60 N +ATOM 4122 NH2 ARG B 169 59.588 57.419 0.850 1.00 43.74 N +ATOM 4123 N GLN B 170 53.574 51.340 -0.424 1.00 12.48 N +ATOM 4124 CA GLN B 170 52.676 50.217 -0.597 1.00 13.36 C +ATOM 4125 C GLN B 170 51.343 50.597 0.016 1.00 16.41 C +ATOM 4126 O GLN B 170 50.290 50.573 -0.660 1.00 29.23 O +ATOM 4127 CB GLN B 170 53.182 48.947 0.139 1.00 35.91 C +ATOM 4128 CG GLN B 170 54.393 48.133 -0.400 1.00 43.72 C +ATOM 4129 CD GLN B 170 54.011 47.032 -1.403 1.00 48.20 C +ATOM 4130 OE1 GLN B 170 52.829 46.673 -1.560 1.00 46.41 O +ATOM 4131 NE2 GLN B 170 55.022 46.490 -2.083 1.00 40.12 N +ATOM 4132 N GLU B 171 51.400 50.979 1.297 1.00 8.46 N +ATOM 4133 CA GLU B 171 50.146 51.217 2.005 1.00 15.86 C +ATOM 4134 C GLU B 171 49.494 52.503 1.589 1.00 13.80 C +ATOM 4135 O GLU B 171 48.265 52.550 1.483 1.00 13.97 O +ATOM 4136 CB GLU B 171 50.369 51.183 3.557 1.00 25.85 C +ATOM 4137 CG GLU B 171 49.887 49.804 4.204 1.00 28.28 C +ATOM 4138 CD GLU B 171 49.919 49.711 5.761 1.00 32.91 C +ATOM 4139 OE1 GLU B 171 51.027 49.557 6.313 1.00 29.09 O +ATOM 4140 OE2 GLU B 171 48.854 49.779 6.431 1.00 23.53 O +ATOM 4141 N ILE B 172 50.261 53.551 1.341 1.00 12.08 N +ATOM 4142 CA ILE B 172 49.581 54.722 0.807 1.00 20.67 C +ATOM 4143 C ILE B 172 48.809 54.228 -0.436 1.00 19.31 C +ATOM 4144 O ILE B 172 47.630 54.596 -0.614 1.00 15.43 O +ATOM 4145 CB ILE B 172 50.589 55.817 0.411 1.00 12.92 C +ATOM 4146 CG1 ILE B 172 51.058 56.553 1.663 1.00 6.00 C +ATOM 4147 CG2 ILE B 172 49.940 56.812 -0.497 1.00 6.00 C +ATOM 4148 CD1 ILE B 172 52.449 57.085 1.423 1.00 8.92 C +ATOM 4149 N GLY B 173 49.462 53.344 -1.213 1.00 11.07 N +ATOM 4150 CA GLY B 173 48.878 52.730 -2.393 1.00 9.77 C +ATOM 4151 C GLY B 173 47.495 52.089 -2.152 1.00 12.47 C +ATOM 4152 O GLY B 173 46.672 52.043 -3.081 1.00 21.44 O +ATOM 4153 N GLN B 174 47.186 51.591 -0.954 1.00 8.06 N +ATOM 4154 CA GLN B 174 45.877 50.963 -0.764 1.00 6.47 C +ATOM 4155 C GLN B 174 44.845 51.812 -0.097 1.00 9.09 C +ATOM 4156 O GLN B 174 43.764 51.343 0.153 1.00 20.74 O +ATOM 4157 CB GLN B 174 46.039 49.695 0.018 1.00 25.19 C +ATOM 4158 CG GLN B 174 46.862 48.735 -0.771 1.00 35.90 C +ATOM 4159 CD GLN B 174 47.447 47.651 0.075 1.00 39.18 C +ATOM 4160 OE1 GLN B 174 47.793 47.877 1.241 1.00 42.67 O +ATOM 4161 NE2 GLN B 174 47.576 46.461 -0.501 1.00 39.84 N +ATOM 4162 N ILE B 175 45.187 53.061 0.190 1.00 22.90 N +ATOM 4163 CA ILE B 175 44.270 54.054 0.761 1.00 23.85 C +ATOM 4164 C ILE B 175 43.796 54.894 -0.417 1.00 18.76 C +ATOM 4165 O ILE B 175 42.598 55.052 -0.649 1.00 21.28 O +ATOM 4166 CB ILE B 175 44.998 54.997 1.823 1.00 25.26 C +ATOM 4167 CG1 ILE B 175 45.595 54.171 2.949 1.00 19.72 C +ATOM 4168 CG2 ILE B 175 43.989 55.933 2.494 1.00 18.98 C +ATOM 4169 CD1 ILE B 175 46.489 54.943 3.821 1.00 22.33 C +ATOM 4170 N VAL B 176 44.777 55.441 -1.133 1.00 9.21 N +ATOM 4171 CA VAL B 176 44.559 56.259 -2.310 1.00 12.86 C +ATOM 4172 C VAL B 176 44.077 55.399 -3.489 1.00 18.75 C +ATOM 4173 O VAL B 176 43.288 55.872 -4.328 1.00 28.75 O +ATOM 4174 CB VAL B 176 45.888 57.017 -2.672 1.00 26.09 C +ATOM 4175 CG1 VAL B 176 45.826 57.599 -4.060 1.00 33.40 C +ATOM 4176 CG2 VAL B 176 46.070 58.211 -1.734 1.00 28.55 C +ATOM 4177 N GLY B 177 44.532 54.150 -3.573 1.00 21.80 N +ATOM 4178 CA GLY B 177 44.062 53.269 -4.640 1.00 20.39 C +ATOM 4179 C GLY B 177 44.802 53.414 -5.959 1.00 24.52 C +ATOM 4180 O GLY B 177 44.238 53.710 -7.033 1.00 28.43 O +ATOM 4181 N CYS B 178 46.100 53.196 -5.876 1.00 17.13 N +ATOM 4182 CA CYS B 178 46.941 53.247 -7.025 1.00 21.82 C +ATOM 4183 C CYS B 178 48.079 52.322 -6.611 1.00 25.70 C +ATOM 4184 O CYS B 178 47.865 51.536 -5.692 1.00 31.95 O +ATOM 4185 CB CYS B 178 47.374 54.700 -7.257 1.00 20.48 C +ATOM 4186 SG CYS B 178 48.599 55.276 -6.141 1.00 16.84 S +ATOM 4187 N SER B 179 49.274 52.375 -7.183 1.00 31.13 N +ATOM 4188 CA SER B 179 50.249 51.371 -6.769 1.00 30.74 C +ATOM 4189 C SER B 179 51.648 51.912 -6.408 1.00 31.06 C +ATOM 4190 O SER B 179 52.104 52.909 -6.958 1.00 33.30 O +ATOM 4191 CB SER B 179 50.335 50.352 -7.888 1.00 21.67 C +ATOM 4192 OG SER B 179 50.587 51.073 -9.080 1.00 22.31 O +ATOM 4193 N ARG B 180 52.311 51.200 -5.485 1.00 21.65 N +ATOM 4194 CA ARG B 180 53.624 51.517 -4.925 1.00 18.58 C +ATOM 4195 C ARG B 180 54.494 52.367 -5.803 1.00 19.51 C +ATOM 4196 O ARG B 180 55.089 53.320 -5.305 1.00 26.75 O +ATOM 4197 CB ARG B 180 54.391 50.229 -4.595 1.00 25.48 C +ATOM 4198 CG ARG B 180 55.896 50.358 -4.189 1.00 25.36 C +ATOM 4199 CD ARG B 180 56.785 49.704 -5.263 1.00 28.95 C +ATOM 4200 NE ARG B 180 56.224 48.398 -5.644 1.00 31.11 N +ATOM 4201 CZ ARG B 180 56.695 47.602 -6.603 1.00 36.39 C +ATOM 4202 NH1 ARG B 180 57.763 47.956 -7.321 1.00 34.17 N +ATOM 4203 NH2 ARG B 180 56.097 46.437 -6.831 1.00 26.47 N +ATOM 4204 N GLU B 181 54.588 52.048 -7.091 1.00 27.47 N +ATOM 4205 CA GLU B 181 55.482 52.837 -7.896 1.00 30.69 C +ATOM 4206 C GLU B 181 54.861 54.168 -8.350 1.00 33.28 C +ATOM 4207 O GLU B 181 55.584 55.175 -8.400 1.00 36.38 O +ATOM 4208 CB GLU B 181 55.959 51.984 -9.092 1.00 33.00 C +ATOM 4209 CG GLU B 181 54.976 51.468 -10.089 1.00 37.12 C +ATOM 4210 CD GLU B 181 54.299 50.183 -9.675 1.00 41.40 C +ATOM 4211 OE1 GLU B 181 54.664 49.109 -10.213 1.00 44.20 O +ATOM 4212 OE2 GLU B 181 53.381 50.262 -8.835 1.00 40.74 O +ATOM 4213 N THR B 182 53.557 54.207 -8.658 1.00 30.41 N +ATOM 4214 CA THR B 182 52.921 55.478 -9.041 1.00 32.58 C +ATOM 4215 C THR B 182 52.899 56.320 -7.775 1.00 34.76 C +ATOM 4216 O THR B 182 53.149 57.522 -7.789 1.00 33.62 O +ATOM 4217 CB THR B 182 51.432 55.359 -9.514 1.00 32.86 C +ATOM 4218 OG1 THR B 182 51.059 53.995 -9.756 1.00 35.48 O +ATOM 4219 CG2 THR B 182 51.263 56.138 -10.807 1.00 35.28 C +ATOM 4220 N VAL B 183 52.569 55.666 -6.669 1.00 41.32 N +ATOM 4221 CA VAL B 183 52.654 56.328 -5.382 1.00 43.36 C +ATOM 4222 C VAL B 183 54.082 56.882 -5.294 1.00 39.20 C +ATOM 4223 O VAL B 183 54.313 57.985 -4.802 1.00 41.26 O +ATOM 4224 CB VAL B 183 52.445 55.343 -4.219 1.00 43.44 C +ATOM 4225 CG1 VAL B 183 52.669 56.085 -2.891 1.00 41.92 C +ATOM 4226 CG2 VAL B 183 51.043 54.732 -4.303 1.00 33.99 C +ATOM 4227 N GLY B 184 55.011 56.073 -5.800 1.00 27.28 N +ATOM 4228 CA GLY B 184 56.416 56.413 -5.845 1.00 25.50 C +ATOM 4229 C GLY B 184 56.670 57.720 -6.566 1.00 31.25 C +ATOM 4230 O GLY B 184 56.583 58.783 -5.962 1.00 34.83 O +ATOM 4231 N ARG B 185 56.953 57.667 -7.858 1.00 34.77 N +ATOM 4232 CA ARG B 185 57.264 58.879 -8.613 1.00 36.70 C +ATOM 4233 C ARG B 185 56.417 60.106 -8.243 1.00 35.62 C +ATOM 4234 O ARG B 185 56.922 61.227 -8.269 1.00 34.08 O +ATOM 4235 CB ARG B 185 57.136 58.558 -10.107 1.00 36.55 C +ATOM 4236 CG ARG B 185 55.874 57.841 -10.518 1.00 35.00 C +ATOM 4237 CD ARG B 185 56.056 57.178 -11.868 1.00 39.34 C +ATOM 4238 NE ARG B 185 54.815 56.566 -12.324 1.00 40.91 N +ATOM 4239 CZ ARG B 185 54.744 55.464 -13.065 1.00 37.15 C +ATOM 4240 NH1 ARG B 185 55.856 54.831 -13.444 1.00 32.13 N +ATOM 4241 NH2 ARG B 185 53.546 55.006 -13.425 1.00 29.06 N +ATOM 4242 N ILE B 186 55.159 59.922 -7.867 1.00 38.86 N +ATOM 4243 CA ILE B 186 54.361 61.075 -7.451 1.00 40.99 C +ATOM 4244 C ILE B 186 54.889 61.692 -6.119 1.00 41.95 C +ATOM 4245 O ILE B 186 55.185 62.886 -6.071 1.00 42.20 O +ATOM 4246 CB ILE B 186 52.847 60.682 -7.244 1.00 47.45 C +ATOM 4247 CG1 ILE B 186 52.233 60.168 -8.561 1.00 40.40 C +ATOM 4248 CG2 ILE B 186 52.073 61.903 -6.740 1.00 49.60 C +ATOM 4249 CD1 ILE B 186 52.207 61.141 -9.731 1.00 47.64 C +ATOM 4250 N LEU B 187 55.038 60.882 -5.065 1.00 38.26 N +ATOM 4251 CA LEU B 187 55.463 61.351 -3.730 1.00 37.04 C +ATOM 4252 C LEU B 187 56.674 62.264 -3.852 1.00 36.26 C +ATOM 4253 O LEU B 187 56.738 63.355 -3.270 1.00 32.95 O +ATOM 4254 CB LEU B 187 55.833 60.151 -2.819 1.00 31.61 C +ATOM 4255 CG LEU B 187 56.004 60.245 -1.292 1.00 24.23 C +ATOM 4256 CD1 LEU B 187 54.754 59.812 -0.610 1.00 18.62 C +ATOM 4257 CD2 LEU B 187 57.038 59.274 -0.814 1.00 29.55 C +ATOM 4258 N LYS B 188 57.635 61.779 -4.625 1.00 35.43 N +ATOM 4259 CA LYS B 188 58.869 62.496 -4.868 1.00 41.66 C +ATOM 4260 C LYS B 188 58.475 63.858 -5.447 1.00 40.97 C +ATOM 4261 O LYS B 188 58.894 64.879 -4.910 1.00 37.09 O +ATOM 4262 CB LYS B 188 59.744 61.702 -5.867 1.00 43.86 C +ATOM 4263 CG LYS B 188 61.249 62.046 -5.919 1.00 40.33 C +ATOM 4264 CD LYS B 188 62.052 61.308 -4.862 1.00 37.47 C +ATOM 4265 CE LYS B 188 61.807 59.787 -4.998 1.00 47.66 C +ATOM 4266 NZ LYS B 188 61.869 59.230 -6.412 1.00 36.95 N +ATOM 4267 N MET B 189 57.638 63.877 -6.492 1.00 40.16 N +ATOM 4268 CA MET B 189 57.172 65.124 -7.106 1.00 38.35 C +ATOM 4269 C MET B 189 56.513 66.071 -6.091 1.00 39.66 C +ATOM 4270 O MET B 189 55.956 67.104 -6.468 1.00 43.90 O +ATOM 4271 CB MET B 189 56.161 64.831 -8.198 1.00 43.69 C +ATOM 4272 CG MET B 189 56.691 63.989 -9.317 1.00 43.93 C +ATOM 4273 SD MET B 189 55.268 63.547 -10.339 1.00 51.99 S +ATOM 4274 CE MET B 189 56.100 63.229 -11.881 1.00 46.57 C +ATOM 4275 N LEU B 190 56.539 65.681 -4.819 1.00 38.63 N +ATOM 4276 CA LEU B 190 56.041 66.456 -3.700 1.00 34.94 C +ATOM 4277 C LEU B 190 57.226 66.995 -2.959 1.00 33.73 C +ATOM 4278 O LEU B 190 57.230 68.144 -2.554 1.00 31.32 O +ATOM 4279 CB LEU B 190 55.235 65.581 -2.770 1.00 32.64 C +ATOM 4280 CG LEU B 190 54.063 65.045 -3.569 1.00 35.13 C +ATOM 4281 CD1 LEU B 190 53.464 63.856 -2.901 1.00 33.11 C +ATOM 4282 CD2 LEU B 190 53.072 66.154 -3.731 1.00 27.12 C +ATOM 4283 N GLU B 191 58.217 66.136 -2.755 1.00 38.97 N +ATOM 4284 CA GLU B 191 59.443 66.529 -2.076 1.00 45.76 C +ATOM 4285 C GLU B 191 60.012 67.655 -2.931 1.00 48.67 C +ATOM 4286 O GLU B 191 60.276 68.753 -2.437 1.00 49.59 O +ATOM 4287 CB GLU B 191 60.431 65.318 -1.992 1.00 50.13 C +ATOM 4288 CG GLU B 191 61.186 65.114 -0.604 1.00 53.77 C +ATOM 4289 CD GLU B 191 62.091 63.835 -0.466 1.00 54.77 C +ATOM 4290 OE1 GLU B 191 63.248 63.964 0.016 1.00 46.67 O +ATOM 4291 OE2 GLU B 191 61.648 62.703 -0.811 1.00 55.00 O +ATOM 4292 N ASP B 192 60.153 67.379 -4.231 1.00 50.03 N +ATOM 4293 CA ASP B 192 60.635 68.362 -5.212 1.00 47.15 C +ATOM 4294 C ASP B 192 59.772 69.611 -5.031 1.00 47.27 C +ATOM 4295 O ASP B 192 60.178 70.615 -4.428 1.00 38.77 O +ATOM 4296 CB ASP B 192 60.471 67.809 -6.650 1.00 38.43 C +ATOM 4297 CG ASP B 192 61.761 67.826 -7.448 1.00 38.49 C +ATOM 4298 OD1 ASP B 192 61.719 67.575 -8.669 1.00 43.61 O +ATOM 4299 OD2 ASP B 192 62.828 68.080 -6.851 1.00 52.10 O +ATOM 4300 N GLN B 193 58.535 69.493 -5.502 1.00 46.12 N +ATOM 4301 CA GLN B 193 57.569 70.559 -5.404 1.00 40.91 C +ATOM 4302 C GLN B 193 57.729 71.210 -4.028 1.00 41.74 C +ATOM 4303 O GLN B 193 57.405 72.373 -3.851 1.00 48.75 O +ATOM 4304 CB GLN B 193 56.195 69.958 -5.602 1.00 48.51 C +ATOM 4305 CG GLN B 193 55.114 70.958 -5.956 1.00 55.00 C +ATOM 4306 CD GLN B 193 53.752 70.303 -5.981 1.00 55.00 C +ATOM 4307 OE1 GLN B 193 52.772 70.876 -6.472 1.00 55.00 O +ATOM 4308 NE2 GLN B 193 53.684 69.081 -5.450 1.00 55.00 N +ATOM 4309 N ASN B 194 58.198 70.418 -3.059 1.00 43.98 N +ATOM 4310 CA ASN B 194 58.579 70.871 -1.718 1.00 47.59 C +ATOM 4311 C ASN B 194 57.457 70.854 -0.669 1.00 47.71 C +ATOM 4312 O ASN B 194 57.616 71.614 0.287 1.00 54.83 O +ATOM 4313 CB ASN B 194 59.143 72.282 -1.774 1.00 50.86 C +ATOM 4314 CG ASN B 194 60.604 72.282 -2.039 1.00 55.00 C +ATOM 4315 OD1 ASN B 194 61.114 72.928 -2.971 1.00 55.00 O +ATOM 4316 ND2 ASN B 194 61.313 71.540 -1.198 1.00 51.89 N +ATOM 4317 N LEU B 195 56.366 70.091 -0.707 1.00 49.01 N +ATOM 4318 CA LEU B 195 55.512 70.215 0.484 1.00 48.13 C +ATOM 4319 C LEU B 195 55.727 69.072 1.525 1.00 48.85 C +ATOM 4320 O LEU B 195 55.096 69.051 2.584 1.00 47.31 O +ATOM 4321 CB LEU B 195 54.031 70.276 0.061 1.00 46.71 C +ATOM 4322 CG LEU B 195 53.349 69.173 -0.748 1.00 50.73 C +ATOM 4323 CD1 LEU B 195 53.373 67.801 -0.054 1.00 55.00 C +ATOM 4324 CD2 LEU B 195 51.904 69.609 -0.895 1.00 46.79 C +ATOM 4325 N ILE B 196 56.634 68.141 1.229 1.00 49.61 N +ATOM 4326 CA ILE B 196 56.953 67.025 2.135 1.00 47.78 C +ATOM 4327 C ILE B 196 58.400 66.625 1.910 1.00 49.78 C +ATOM 4328 O ILE B 196 58.986 67.026 0.917 1.00 43.69 O +ATOM 4329 CB ILE B 196 56.091 65.742 1.865 1.00 46.51 C +ATOM 4330 CG1 ILE B 196 56.503 64.616 2.822 1.00 41.92 C +ATOM 4331 CG2 ILE B 196 56.347 65.223 0.446 1.00 43.91 C +ATOM 4332 CD1 ILE B 196 55.802 63.289 2.591 1.00 33.72 C +ATOM 4333 N SER B 197 58.957 65.851 2.837 1.00 48.99 N +ATOM 4334 CA SER B 197 60.305 65.270 2.742 1.00 48.63 C +ATOM 4335 C SER B 197 60.117 63.795 3.174 1.00 49.79 C +ATOM 4336 O SER B 197 59.284 63.550 4.059 1.00 53.36 O +ATOM 4337 CB SER B 197 61.279 66.010 3.697 1.00 50.39 C +ATOM 4338 OG SER B 197 61.608 67.334 3.256 1.00 48.61 O +ATOM 4339 N ALA B 198 60.828 62.825 2.575 1.00 43.28 N +ATOM 4340 CA ALA B 198 60.637 61.415 2.956 1.00 39.32 C +ATOM 4341 C ALA B 198 61.842 60.507 2.692 1.00 43.21 C +ATOM 4342 O ALA B 198 62.731 60.797 1.869 1.00 40.26 O +ATOM 4343 CB ALA B 198 59.431 60.851 2.225 1.00 29.81 C +ATOM 4344 N HIS B 199 61.817 59.379 3.408 1.00 49.57 N +ATOM 4345 CA HIS B 199 62.865 58.335 3.442 1.00 49.87 C +ATOM 4346 C HIS B 199 62.328 57.303 4.517 1.00 46.31 C +ATOM 4347 O HIS B 199 62.615 57.443 5.725 1.00 47.21 O +ATOM 4348 CB HIS B 199 64.201 59.055 3.858 1.00 49.82 C +ATOM 4349 CG HIS B 199 65.492 58.280 3.690 1.00 49.46 C +ATOM 4350 ND1 HIS B 199 66.223 57.792 4.761 1.00 47.28 N +ATOM 4351 CD2 HIS B 199 66.227 57.991 2.586 1.00 49.96 C +ATOM 4352 CE1 HIS B 199 67.346 57.247 4.328 1.00 42.58 C +ATOM 4353 NE2 HIS B 199 67.374 57.355 3.010 1.00 43.95 N +ATOM 4354 N GLY B 200 61.501 56.333 4.075 1.00 40.10 N +ATOM 4355 CA GLY B 200 60.906 55.308 4.941 1.00 27.33 C +ATOM 4356 C GLY B 200 59.804 55.903 5.808 1.00 34.99 C +ATOM 4357 O GLY B 200 58.694 55.374 5.952 1.00 36.63 O +ATOM 4358 N LYS B 201 60.166 56.999 6.460 1.00 42.07 N +ATOM 4359 CA LYS B 201 59.255 57.809 7.245 1.00 44.42 C +ATOM 4360 C LYS B 201 58.840 58.965 6.324 1.00 44.63 C +ATOM 4361 O LYS B 201 59.532 59.247 5.341 1.00 49.47 O +ATOM 4362 CB LYS B 201 59.985 58.344 8.479 1.00 48.26 C +ATOM 4363 CG LYS B 201 61.251 59.136 8.167 1.00 46.18 C +ATOM 4364 CD LYS B 201 61.700 59.966 9.380 1.00 50.97 C +ATOM 4365 CE LYS B 201 62.794 60.968 8.965 1.00 55.00 C +ATOM 4366 NZ LYS B 201 63.147 62.022 9.974 1.00 46.95 N +ATOM 4367 N THR B 202 57.756 59.658 6.623 1.00 42.59 N +ATOM 4368 CA THR B 202 57.340 60.779 5.784 1.00 45.69 C +ATOM 4369 C THR B 202 57.162 62.028 6.632 1.00 45.33 C +ATOM 4370 O THR B 202 56.354 62.056 7.567 1.00 48.13 O +ATOM 4371 CB THR B 202 56.002 60.461 5.045 1.00 45.90 C +ATOM 4372 OG1 THR B 202 55.101 59.797 5.945 1.00 47.06 O +ATOM 4373 CG2 THR B 202 56.269 59.591 3.815 1.00 45.47 C +ATOM 4374 N ILE B 203 57.964 63.045 6.337 1.00 38.83 N +ATOM 4375 CA ILE B 203 57.878 64.274 7.088 1.00 34.33 C +ATOM 4376 C ILE B 203 57.026 65.299 6.378 1.00 36.07 C +ATOM 4377 O ILE B 203 57.440 65.905 5.369 1.00 30.72 O +ATOM 4378 CB ILE B 203 59.219 64.928 7.304 1.00 39.32 C +ATOM 4379 CG1 ILE B 203 60.180 63.980 8.028 1.00 39.91 C +ATOM 4380 CG2 ILE B 203 58.985 66.201 8.105 1.00 37.86 C +ATOM 4381 CD1 ILE B 203 60.711 62.811 7.197 1.00 35.03 C +ATOM 4382 N VAL B 204 55.822 65.479 6.898 1.00 36.43 N +ATOM 4383 CA VAL B 204 54.939 66.465 6.325 1.00 44.34 C +ATOM 4384 C VAL B 204 55.540 67.795 6.706 1.00 47.25 C +ATOM 4385 O VAL B 204 56.210 67.871 7.742 1.00 53.56 O +ATOM 4386 CB VAL B 204 53.520 66.440 6.924 1.00 47.34 C +ATOM 4387 CG1 VAL B 204 53.528 67.148 8.292 1.00 38.40 C +ATOM 4388 CG2 VAL B 204 52.546 67.137 5.979 1.00 48.02 C +ATOM 4389 N VAL B 205 55.358 68.816 5.878 1.00 45.13 N +ATOM 4390 CA VAL B 205 55.792 70.158 6.279 1.00 44.73 C +ATOM 4391 C VAL B 205 54.468 70.987 6.231 1.00 44.05 C +ATOM 4392 O VAL B 205 53.372 70.375 6.486 1.00 31.19 O +ATOM 4393 CB VAL B 205 56.902 70.804 5.278 1.00 33.70 C +ATOM 4394 CG1 VAL B 205 57.437 72.095 5.886 1.00 36.67 C +ATOM 4395 CG2 VAL B 205 58.117 69.915 5.115 1.00 27.64 C +TER 4396 VAL B 205 +HETATM 4397 P CMP A 762 23.446 66.059 7.025 1.00 21.21 P +HETATM 4398 O1P CMP A 762 24.861 65.799 6.725 1.00 16.95 O +HETATM 4399 O2P CMP A 762 23.112 66.994 8.149 1.00 26.22 O +HETATM 4400 O5' CMP A 762 22.849 66.716 5.697 1.00 26.51 O +HETATM 4401 C5' CMP A 762 22.696 65.967 4.459 1.00 24.11 C +HETATM 4402 C4' CMP A 762 22.122 64.593 4.720 1.00 19.73 C +HETATM 4403 O4' CMP A 762 22.430 63.679 3.642 1.00 19.87 O +HETATM 4404 C3' CMP A 762 22.777 63.849 5.855 1.00 23.16 C +HETATM 4405 O3' CMP A 762 22.698 64.643 7.044 1.00 16.35 O +HETATM 4406 C2' CMP A 762 22.150 62.475 5.657 1.00 15.69 C +HETATM 4407 C1' CMP A 762 22.386 62.324 4.137 1.00 24.39 C +HETATM 4408 N9 CMP A 762 23.619 61.624 3.714 1.00 12.64 N +HETATM 4409 C8 CMP A 762 24.903 62.073 3.841 1.00 22.17 C +HETATM 4410 N7 CMP A 762 25.821 61.231 3.387 1.00 20.71 N +HETATM 4411 C5 CMP A 762 25.086 60.156 2.920 1.00 13.01 C +HETATM 4412 C6 CMP A 762 25.475 58.919 2.309 1.00 14.58 C +HETATM 4413 N6 CMP A 762 26.765 58.591 1.967 1.00 12.19 N +HETATM 4414 N1 CMP A 762 24.497 58.040 2.025 1.00 9.86 N +HETATM 4415 C2 CMP A 762 23.221 58.389 2.273 1.00 10.47 C +HETATM 4416 N3 CMP A 762 22.727 59.528 2.798 1.00 18.21 N +HETATM 4417 C4 CMP A 762 23.721 60.378 3.112 1.00 15.89 C +HETATM 4418 P CMP B 761 30.868 44.322 10.111 1.00 22.81 P +HETATM 4419 O1P CMP B 761 30.249 44.780 8.824 1.00 17.93 O +HETATM 4420 O2P CMP B 761 30.231 43.185 10.844 1.00 18.79 O +HETATM 4421 O5' CMP B 761 32.366 43.895 9.809 1.00 13.33 O +HETATM 4422 C5' CMP B 761 33.274 44.800 9.251 1.00 17.27 C +HETATM 4423 C4' CMP B 761 33.284 46.017 10.078 1.00 16.92 C +HETATM 4424 O4' CMP B 761 34.091 47.063 9.520 1.00 19.03 O +HETATM 4425 C3' CMP B 761 31.951 46.686 10.283 1.00 16.47 C +HETATM 4426 O3' CMP B 761 31.094 45.720 10.901 1.00 15.14 O +HETATM 4427 C2' CMP B 761 32.444 47.944 10.985 1.00 12.11 C +HETATM 4428 C1' CMP B 761 33.587 48.307 10.004 1.00 20.63 C +HETATM 4429 N9 CMP B 761 33.317 49.131 8.805 1.00 18.49 N +HETATM 4430 C8 CMP B 761 32.660 48.826 7.627 1.00 19.25 C +HETATM 4431 N7 CMP B 761 32.732 49.773 6.710 1.00 15.30 N +HETATM 4432 C5 CMP B 761 33.450 50.775 7.339 1.00 22.11 C +HETATM 4433 C6 CMP B 761 33.878 52.048 6.920 1.00 19.56 C +HETATM 4434 N6 CMP B 761 33.651 52.576 5.730 1.00 29.04 N +HETATM 4435 N1 CMP B 761 34.576 52.780 7.802 1.00 25.11 N +HETATM 4436 C2 CMP B 761 34.827 52.273 9.053 1.00 22.25 C +HETATM 4437 N3 CMP B 761 34.479 51.128 9.560 1.00 7.44 N +HETATM 4438 C4 CMP B 761 33.791 50.404 8.646 1.00 22.16 C +HETATM 4439 O HOH C 497 45.092 62.707 -38.052 1.00 40.55 O +HETATM 4440 O HOH C 498 34.545 54.424 -34.074 1.00 46.59 O +HETATM 4441 O HOH C 499 32.083 57.720 -40.155 1.00 25.70 O +HETATM 4442 O HOH C 500 26.669 65.133 -35.452 1.00 33.79 O +HETATM 4443 O HOH C 502 21.789 72.181 -22.980 1.00 47.12 O +HETATM 4444 O HOH C 505 15.248 65.765 -18.568 1.00 13.30 O +HETATM 4445 O HOH C 506 18.102 63.640 -26.184 1.00 10.55 O +HETATM 4446 O HOH C 511 38.134 67.177 -36.049 1.00 39.67 O +HETATM 4447 O HOH C 545 6.496 75.445 -24.344 1.00 34.06 O +HETATM 4448 O HOH C 546 5.915 78.120 -25.570 1.00 50.35 O +HETATM 4449 O HOH C 561 26.503 57.806 -38.215 1.00 49.33 O +HETATM 4450 O HOH C 562 34.543 63.954 -34.779 1.00 26.30 O +HETATM 4451 O HOH C 565 40.503 54.446 -28.868 1.00 44.04 O +HETATM 4452 O HOH C 568 -4.406 63.698 -17.231 1.00 41.56 O +HETATM 4453 O HOH C 569 -3.754 71.074 -24.645 1.00 26.72 O +HETATM 4454 O HOH C 572 9.518 75.455 -21.479 1.00 41.76 O +HETATM 4455 O HOH C 573 17.844 76.245 -23.110 1.00 54.25 O +HETATM 4456 O HOH C 574 10.529 81.336 -25.817 1.00 20.78 O +HETATM 4457 O HOH C 576 19.103 72.754 -21.738 1.00 37.97 O +HETATM 4458 O HOH C 593 37.142 57.678 -32.298 1.00 44.28 O +HETATM 4459 O HOH C 594 28.559 54.589 -35.786 1.00 33.76 O +HETATM 4460 O HOH C 595 24.818 56.110 -35.105 1.00 38.87 O +HETATM 4461 O HOH C 597 6.032 71.716 -33.977 1.00 28.94 O +HETATM 4462 O HOH C 598 6.701 81.328 -24.221 1.00 32.38 O +HETATM 4463 O HOH C 600 38.755 57.279 -27.498 1.00 23.05 O +HETATM 4464 O HOH C 609 15.304 73.759 -12.366 1.00 45.91 O +HETATM 4465 O HOH C 612 19.746 75.497 -20.941 1.00 24.75 O +HETATM 4466 O HOH C 631 33.850 55.583 -37.595 1.00 38.18 O +HETATM 4467 O HOH C 635 41.052 57.278 -30.411 1.00 54.37 O +HETATM 4468 O HOH C 636 23.329 62.494 -35.820 1.00 44.05 O +HETATM 4469 O HOH C 645 16.739 74.990 -27.635 1.00 34.45 O +HETATM 4470 O HOH C 652 -2.747 62.236 -18.959 1.00 51.72 O +HETATM 4471 O HOH C 655 21.437 58.130 -27.166 1.00 44.51 O +HETATM 4472 O HOH C 656 20.214 58.740 -36.056 1.00 47.44 O +HETATM 4473 O HOH C 659 15.915 66.391 -16.034 1.00 44.96 O +HETATM 4474 O HOH C 660 16.874 60.354 -21.901 1.00 39.78 O +HETATM 4475 O HOH C 672 -6.306 64.692 -18.758 1.00 14.12 O +HETATM 4476 O HOH C 677 21.194 62.919 -31.519 1.00 55.00 O +HETATM 4477 O HOH C 692 20.660 75.297 -23.813 1.00 41.23 O +HETATM 4478 O HOH C 699 -1.234 68.669 -34.146 1.00 48.42 O +HETATM 4479 O HOH C 700 -4.841 71.213 -27.538 1.00 47.07 O +HETATM 4480 O HOH C 701 -1.095 63.024 -23.484 1.00 43.34 O +HETATM 4481 O HOH C 702 16.283 79.208 -26.983 1.00 49.40 O +HETATM 4482 O HOH C 706 19.179 59.427 -27.503 1.00 47.32 O +HETATM 4483 O HOH C 707 22.551 57.921 -34.154 1.00 55.00 O +HETATM 4484 O HOH C 708 22.568 54.840 -35.215 1.00 28.25 O +HETATM 4485 O HOH C 709 37.110 60.913 -39.945 1.00 20.63 O +HETATM 4486 O HOH C 710 39.915 65.768 -33.913 1.00 55.00 O +HETATM 4487 O HOH C 715 30.547 58.805 -30.327 1.00 32.03 O +HETATM 4488 O HOH C 724 24.361 53.539 -32.522 1.00 43.87 O +HETATM 4489 O HOH D 475 70.347 58.185 -8.109 1.00 55.00 O +HETATM 4490 O HOH D 476 64.471 44.790 -17.048 1.00 46.14 O +HETATM 4491 O HOH D 477 51.769 43.366 -8.088 1.00 32.45 O +HETATM 4492 O HOH D 478 53.137 40.252 -11.712 1.00 55.00 O +HETATM 4493 O HOH D 479 60.531 36.463 -9.174 1.00 38.78 O +HETATM 4494 O HOH D 480 58.862 36.585 -19.509 1.00 54.25 O +HETATM 4495 O HOH D 481 66.890 46.517 -12.427 1.00 27.96 O +HETATM 4496 O HOH D 482 73.157 47.205 -13.109 1.00 53.02 O +HETATM 4497 O HOH D 485 65.406 39.582 13.133 1.00 28.43 O +HETATM 4498 O HOH D 486 62.621 47.039 14.604 1.00 52.46 O +HETATM 4499 O HOH D 489 65.155 39.397 -1.228 1.00 20.94 O +HETATM 4500 O HOH D 490 46.206 49.808 -17.576 1.00 35.36 O +HETATM 4501 O HOH D 493 42.855 63.733 -22.373 1.00 33.69 O +HETATM 4502 O HOH D 512 51.508 67.455 -17.121 1.00 37.41 O +HETATM 4503 O HOH D 517 55.844 44.029 14.113 1.00 40.33 O +HETATM 4504 O HOH D 518 57.886 44.135 10.476 1.00 41.36 O +HETATM 4505 O HOH D 524 51.555 62.372 -24.432 1.00 27.58 O +HETATM 4506 O HOH D 525 43.711 56.235 -28.355 1.00 26.56 O +HETATM 4507 O HOH D 529 60.736 42.023 8.755 1.00 40.46 O +HETATM 4508 O HOH D 530 56.046 49.978 8.883 1.00 27.41 O +HETATM 4509 O HOH D 533 70.091 40.615 -3.930 1.00 22.25 O +HETATM 4510 O HOH D 534 67.001 53.080 -8.644 1.00 42.15 O +HETATM 4511 O HOH D 535 70.597 45.672 7.197 1.00 19.93 O +HETATM 4512 O HOH D 538 56.990 37.442 -11.269 1.00 32.19 O +HETATM 4513 O HOH D 539 65.265 35.444 -10.170 1.00 34.93 O +HETATM 4514 O HOH D 540 62.109 37.199 -7.114 1.00 52.71 O +HETATM 4515 O HOH D 547 42.794 68.731 -22.407 1.00 35.15 O +HETATM 4516 O HOH D 548 46.123 70.632 -24.405 1.00 35.29 O +HETATM 4517 O HOH D 549 67.748 49.985 -8.437 1.00 10.22 O +HETATM 4518 O HOH D 550 74.545 45.447 -9.233 1.00 51.32 O +HETATM 4519 O HOH D 551 54.585 44.617 -19.064 1.00 26.70 O +HETATM 4520 O HOH D 552 53.794 42.969 -10.618 1.00 50.80 O +HETATM 4521 O HOH D 553 49.037 44.429 -18.075 1.00 37.42 O +HETATM 4522 O HOH D 554 48.762 48.216 -18.826 1.00 27.63 O +HETATM 4523 O HOH D 556 49.442 65.308 -24.106 1.00 24.91 O +HETATM 4524 O HOH D 557 49.882 70.093 -21.008 1.00 35.27 O +HETATM 4525 O HOH D 558 43.056 66.665 -27.299 1.00 47.52 O +HETATM 4526 O HOH D 567 60.509 38.551 -10.754 1.00 46.62 O +HETATM 4527 O HOH D 582 58.263 43.649 7.952 1.00 45.35 O +HETATM 4528 O HOH D 584 68.602 58.415 -1.102 1.00 26.82 O +HETATM 4529 O HOH D 585 62.961 41.331 -17.673 1.00 36.46 O +HETATM 4530 O HOH D 586 65.781 42.618 -14.654 1.00 33.90 O +HETATM 4531 O HOH D 587 57.291 38.952 -20.892 1.00 45.33 O +HETATM 4532 O HOH D 588 45.117 52.569 -17.172 1.00 30.91 O +HETATM 4533 O HOH D 591 53.289 60.935 -18.784 1.00 52.00 O +HETATM 4534 O HOH D 601 52.176 45.995 -18.770 1.00 38.67 O +HETATM 4535 O HOH D 607 46.868 43.275 -9.443 1.00 39.72 O +HETATM 4536 O HOH D 617 43.045 64.995 -15.789 1.00 49.25 O +HETATM 4537 O HOH D 621 67.269 32.001 17.229 1.00 48.15 O +HETATM 4538 O HOH D 622 62.211 36.743 13.534 1.00 46.51 O +HETATM 4539 O HOH D 624 71.630 38.512 -10.357 1.00 46.87 O +HETATM 4540 O HOH D 626 69.132 49.442 -10.591 1.00 38.27 O +HETATM 4541 O HOH D 633 42.251 68.919 -19.154 1.00 38.70 O +HETATM 4542 O HOH D 642 67.973 57.466 -6.149 1.00 33.81 O +HETATM 4543 O HOH D 643 50.302 66.708 -28.579 1.00 42.56 O +HETATM 4544 O HOH D 644 49.016 61.067 -28.672 1.00 53.81 O +HETATM 4545 O HOH D 666 55.217 38.453 -8.585 1.00 51.32 O +HETATM 4546 O HOH D 667 55.814 43.041 -8.509 1.00 19.14 O +HETATM 4547 O HOH D 668 62.561 34.808 -12.282 1.00 30.86 O +HETATM 4548 O HOH D 669 66.797 49.407 15.098 1.00 55.00 O +HETATM 4549 O HOH D 683 56.396 41.212 -19.750 1.00 52.13 O +HETATM 4550 O HOH D 695 50.283 38.631 -15.757 1.00 35.91 O +HETATM 4551 O HOH D 696 58.305 42.736 -8.090 1.00 44.09 O +HETATM 4552 O HOH D 697 61.189 39.930 -7.739 1.00 53.41 O +HETATM 4553 O HOH D 713 68.551 53.858 -6.671 1.00 43.38 O +HETATM 4554 O HOH D 714 66.847 51.437 8.723 1.00 43.84 O +HETATM 4555 O HOH D 742 65.905 52.520 14.043 1.00 53.80 O +HETATM 4556 O HOH D 749 69.799 45.512 1.693 1.00 51.26 O +HETATM 4557 O HOH D 752 63.835 52.551 11.873 1.00 41.86 O +HETATM 4558 O HOH D 753 61.683 51.699 14.595 1.00 39.64 O +HETATM 4559 O HOH D 755 70.864 48.989 -15.635 1.00 55.00 O +HETATM 4560 O HOH E 483 67.397 35.573 10.316 1.00 20.55 O +HETATM 4561 O HOH E 484 67.927 39.018 11.403 1.00 28.29 O +HETATM 4562 O HOH E 487 63.705 52.517 -0.832 1.00 36.53 O +HETATM 4563 O HOH E 488 65.354 49.889 -4.492 1.00 49.78 O +HETATM 4564 O HOH E 515 74.697 45.400 5.860 1.00 44.70 O +HETATM 4565 O HOH E 516 75.656 39.879 3.425 1.00 32.51 O +HETATM 4566 O HOH E 519 67.795 33.325 3.865 1.00 46.58 O +HETATM 4567 O HOH E 520 72.727 49.110 4.087 1.00 29.56 O +HETATM 4568 O HOH E 521 56.084 57.660 -19.059 1.00 22.64 O +HETATM 4569 O HOH E 531 76.028 51.424 12.000 1.00 34.44 O +HETATM 4570 O HOH E 536 72.935 51.041 11.055 1.00 31.90 O +HETATM 4571 O HOH E 537 72.141 46.460 4.120 1.00 52.00 O +HETATM 4572 O HOH E 543 57.218 36.663 5.877 1.00 21.30 O +HETATM 4573 O HOH E 544 65.310 39.550 9.706 1.00 33.24 O +HETATM 4574 O HOH E 566 69.997 37.575 10.818 1.00 55.00 O +HETATM 4575 O HOH E 570 75.565 35.395 7.040 1.00 33.90 O +HETATM 4576 O HOH E 571 70.867 49.370 11.889 1.00 35.98 O +HETATM 4577 O HOH E 577 69.335 38.156 1.355 1.00 38.59 O +HETATM 4578 O HOH E 578 73.936 49.676 13.646 1.00 47.86 O +HETATM 4579 O HOH E 579 73.413 46.396 8.669 1.00 43.69 O +HETATM 4580 O HOH E 580 81.229 50.580 8.324 1.00 37.52 O +HETATM 4581 O HOH E 581 81.781 42.290 10.185 1.00 25.63 O +HETATM 4582 O HOH E 583 63.154 49.753 0.787 1.00 20.16 O +HETATM 4583 O HOH E 590 52.394 48.873 -30.007 1.00 53.55 O +HETATM 4584 O HOH E 604 61.104 54.976 -26.847 1.00 47.94 O +HETATM 4585 O HOH E 605 57.666 55.211 -26.018 1.00 50.15 O +HETATM 4586 O HOH E 606 60.039 55.864 -23.590 1.00 55.00 O +HETATM 4587 O HOH E 618 60.100 41.365 -5.201 1.00 45.95 O +HETATM 4588 O HOH E 619 70.637 38.501 14.290 1.00 46.42 O +HETATM 4589 O HOH E 620 73.290 40.555 14.035 1.00 41.72 O +HETATM 4590 O HOH E 623 57.193 39.220 8.721 1.00 37.63 O +HETATM 4591 O HOH E 625 66.092 50.610 -10.399 1.00 23.91 O +HETATM 4592 O HOH E 639 77.611 47.325 18.440 1.00 35.78 O +HETATM 4593 O HOH E 640 71.268 40.221 1.712 1.00 47.00 O +HETATM 4594 O HOH E 641 64.841 55.304 -2.212 1.00 38.46 O +HETATM 4595 O HOH E 646 60.211 47.358 -24.602 1.00 44.79 O +HETATM 4596 O HOH E 647 57.361 49.302 -22.833 1.00 33.40 O +HETATM 4597 O HOH E 684 57.900 46.482 -21.158 1.00 49.78 O +HETATM 4598 O HOH E 685 57.827 43.936 -4.996 1.00 54.36 O +HETATM 4599 O HOH E 686 80.651 48.325 11.022 1.00 29.52 O +HETATM 4600 O HOH E 687 79.286 51.604 13.129 1.00 49.66 O +HETATM 4601 O HOH E 688 80.238 44.021 6.912 1.00 45.95 O +HETATM 4602 O HOH E 743 60.733 33.245 7.305 1.00 55.00 O +HETATM 4603 O HOH E 750 77.556 43.536 6.417 1.00 53.41 O +HETATM 4604 O HOH E 751 74.125 33.302 1.512 1.00 55.00 O +HETATM 4605 O HOH E 754 58.691 40.778 -0.272 1.00 53.41 O +HETATM 4606 O HOH E 756 65.062 57.859 -15.430 1.00 51.71 O +HETATM 4607 O HOH F 491 39.601 51.800 -14.163 1.00 48.63 O +HETATM 4608 O HOH F 492 42.338 57.424 -18.088 1.00 30.52 O +HETATM 4609 O HOH F 494 40.611 68.254 -26.386 1.00 43.31 O +HETATM 4610 O HOH F 495 36.111 75.412 -28.364 1.00 44.29 O +HETATM 4611 O HOH F 496 38.325 74.842 -20.690 1.00 29.66 O +HETATM 4612 O HOH F 501 28.870 71.233 -37.894 1.00 27.70 O +HETATM 4613 O HOH F 503 20.912 72.874 -29.010 1.00 44.34 O +HETATM 4614 O HOH F 504 13.937 66.994 -20.653 1.00 23.17 O +HETATM 4615 O HOH F 507 10.104 59.707 -27.834 1.00 40.20 O +HETATM 4616 O HOH F 508 8.864 68.297 -31.113 1.00 39.94 O +HETATM 4617 O HOH F 509 7.068 68.916 -33.354 1.00 47.65 O +HETATM 4618 O HOH F 510 11.412 69.749 -31.428 1.00 17.90 O +HETATM 4619 O HOH F 513 40.640 65.256 -22.789 1.00 23.04 O +HETATM 4620 O HOH F 514 35.254 72.551 -20.118 1.00 55.00 O +HETATM 4621 O HOH F 522 51.575 55.673 -25.930 1.00 33.99 O +HETATM 4622 O HOH F 523 41.795 46.087 -19.656 1.00 38.63 O +HETATM 4623 O HOH F 526 15.802 70.478 -35.327 1.00 35.20 O +HETATM 4624 O HOH F 527 6.392 61.612 -26.066 1.00 23.72 O +HETATM 4625 O HOH F 528 29.124 79.776 -34.852 1.00 32.63 O +HETATM 4626 O HOH F 541 37.883 51.549 -24.595 1.00 54.07 O +HETATM 4627 O HOH F 542 34.835 50.547 -20.628 1.00 30.94 O +HETATM 4628 O HOH F 559 31.162 76.662 -22.119 1.00 55.00 O +HETATM 4629 O HOH F 560 31.060 70.006 -34.200 1.00 16.86 O +HETATM 4630 O HOH F 563 16.542 71.808 -32.219 1.00 21.10 O +HETATM 4631 O HOH F 564 14.867 68.245 -36.351 1.00 34.11 O +HETATM 4632 O HOH F 575 18.549 64.506 -40.441 1.00 32.89 O +HETATM 4633 O HOH F 589 45.887 44.599 -27.592 1.00 37.29 O +HETATM 4634 O HOH F 592 35.632 50.257 -23.883 1.00 50.89 O +HETATM 4635 O HOH F 596 22.784 72.471 -27.076 1.00 42.58 O +HETATM 4636 O HOH F 599 7.194 58.282 -22.777 1.00 48.95 O +HETATM 4637 O HOH F 602 2.172 75.065 -25.769 1.00 29.07 O +HETATM 4638 O HOH F 603 6.522 79.928 -16.010 1.00 25.22 O +HETATM 4639 O HOH F 608 43.025 43.992 -21.855 1.00 29.25 O +HETATM 4640 O HOH F 610 7.478 77.422 -10.240 1.00 18.53 O +HETATM 4641 O HOH F 613 17.066 57.430 -29.734 1.00 29.65 O +HETATM 4642 O HOH F 614 27.442 72.109 -25.068 1.00 16.67 O +HETATM 4643 O HOH F 615 29.667 73.505 -25.820 1.00 28.54 O +HETATM 4644 O HOH F 616 34.311 76.445 -23.875 1.00 49.17 O +HETATM 4645 O HOH F 627 40.192 64.519 -16.676 1.00 55.00 O +HETATM 4646 O HOH F 628 4.897 63.696 -25.327 1.00 38.66 O +HETATM 4647 O HOH F 629 13.729 70.695 -32.590 1.00 37.63 O +HETATM 4648 O HOH F 630 40.317 69.089 -23.974 1.00 54.97 O +HETATM 4649 O HOH F 632 31.852 69.051 -22.413 1.00 36.54 O +HETATM 4650 O HOH F 634 37.512 63.501 -14.722 1.00 25.25 O +HETATM 4651 O HOH F 637 25.176 68.661 -35.141 1.00 49.11 O +HETATM 4652 O HOH F 648 4.653 68.424 -33.675 1.00 22.79 O +HETATM 4653 O HOH F 649 4.431 77.755 -22.149 1.00 41.86 O +HETATM 4654 O HOH F 650 7.296 75.601 -12.699 1.00 33.31 O +HETATM 4655 O HOH F 651 6.998 71.561 -11.947 1.00 37.29 O +HETATM 4656 O HOH F 653 7.933 58.041 -25.945 1.00 30.99 O +HETATM 4657 O HOH F 658 13.763 61.040 -18.030 1.00 47.96 O +HETATM 4658 O HOH F 661 33.756 72.777 -22.367 1.00 46.41 O +HETATM 4659 O HOH F 662 54.464 46.698 -24.996 1.00 46.73 O +HETATM 4660 O HOH F 663 36.668 53.614 -22.756 1.00 41.75 O +HETATM 4661 O HOH F 670 7.813 79.582 -18.457 1.00 37.60 O +HETATM 4662 O HOH F 671 8.196 65.636 -13.058 1.00 54.25 O +HETATM 4663 O HOH F 673 9.648 63.288 -15.403 1.00 38.99 O +HETATM 4664 O HOH F 674 8.696 62.103 -24.916 1.00 50.52 O +HETATM 4665 O HOH F 675 14.733 66.217 -23.050 1.00 35.25 O +HETATM 4666 O HOH F 676 11.389 72.474 -31.016 1.00 46.75 O +HETATM 4667 O HOH F 678 12.114 58.988 -34.210 1.00 53.56 O +HETATM 4668 O HOH F 679 35.294 69.551 -30.893 1.00 45.99 O +HETATM 4669 O HOH F 681 41.412 63.169 -19.944 1.00 43.35 O +HETATM 4670 O HOH F 682 43.289 54.324 -18.513 1.00 55.00 O +HETATM 4671 O HOH F 689 9.751 71.706 -11.911 1.00 32.94 O +HETATM 4672 O HOH F 690 7.616 61.298 -20.989 1.00 38.13 O +HETATM 4673 O HOH F 691 2.925 75.398 -8.790 1.00 51.05 O +HETATM 4674 O HOH F 693 25.480 73.849 -27.535 1.00 49.54 O +HETATM 4675 O HOH F 703 9.405 78.692 -15.849 1.00 48.02 O +HETATM 4676 O HOH F 704 3.752 75.722 -12.148 1.00 54.69 O +HETATM 4677 O HOH F 711 38.687 69.451 -28.246 1.00 49.88 O +HETATM 4678 O HOH F 712 37.106 67.659 -32.437 1.00 39.11 O +HETATM 4679 O HOH F 716 20.319 73.578 -33.478 1.00 45.67 O +HETATM 4680 O HOH F 718 6.360 63.920 -15.465 1.00 52.65 O +HETATM 4681 O HOH F 748 26.865 78.212 -29.056 1.00 55.00 O +HETATM 4682 O HOH A 611 10.284 72.559 -8.903 1.00 22.85 O +HETATM 4683 O HOH A 654 9.255 57.324 -28.987 1.00 55.00 O +HETATM 4684 O HOH A 657 21.678 54.651 -24.966 1.00 43.43 O +HETATM 4685 O HOH A 705 7.400 73.484 -9.214 1.00 47.11 O +HETATM 4686 O HOH A 717 17.557 61.852 -14.892 1.00 42.94 O +HETATM 4687 O HOH A 719 11.375 59.500 -14.354 1.00 52.68 O +HETATM 4688 O HOH A 720 12.614 53.284 -14.492 1.00 51.76 O +HETATM 4689 O HOH A 721 13.058 60.579 -10.316 1.00 49.73 O +HETATM 4690 O HOH A 722 28.816 53.412 -29.637 1.00 39.73 O +HETATM 4691 O HOH A 723 21.255 54.038 -29.711 1.00 41.83 O +HETATM 4692 O HOH A 725 38.936 47.409 -18.387 1.00 40.91 O +HETATM 4693 O HOH A 726 41.262 47.175 -17.411 1.00 38.05 O +HETATM 4694 O HOH A 734 12.478 74.038 6.484 1.00 49.67 O +HETATM 4695 O HOH A 735 18.509 73.301 5.314 1.00 43.09 O +HETATM 4696 O HOH A 736 19.750 65.654 -12.399 1.00 25.25 O +HETATM 4697 O HOH A 737 23.380 68.251 -12.222 1.00 25.18 O +HETATM 4698 O HOH A 738 14.892 62.388 -11.516 1.00 41.10 O +HETATM 4699 O HOH A 744 24.435 69.769 -18.274 1.00 48.14 O +HETATM 4700 O HOH A 745 25.815 69.476 -21.119 1.00 48.69 O +HETATM 4701 O HOH A 746 27.956 67.774 -19.811 1.00 55.00 O +HETATM 4702 O HOH A 747 26.553 66.389 -18.032 1.00 51.67 O +HETATM 4703 O HOH B 532 59.562 53.896 4.476 1.00 30.56 O +HETATM 4704 O HOH B 555 55.057 58.699 -15.558 1.00 44.05 O +HETATM 4705 O HOH B 638 59.004 61.481 -14.106 1.00 55.00 O +HETATM 4706 O HOH B 664 40.467 58.019 -13.975 1.00 51.91 O +HETATM 4707 O HOH B 665 43.433 63.243 -13.179 1.00 53.31 O +HETATM 4708 O HOH B 680 37.656 60.746 -12.566 1.00 55.00 O +HETATM 4709 O HOH B 694 27.051 28.112 9.958 1.00 40.96 O +HETATM 4710 O HOH B 698 66.350 59.431 7.530 1.00 46.96 O +HETATM 4711 O HOH B 727 50.447 47.743 -5.108 1.00 51.54 O +HETATM 4712 O HOH B 728 47.146 45.975 -3.411 1.00 42.22 O +HETATM 4713 O HOH B 729 46.157 49.437 -7.502 1.00 53.47 O +HETATM 4714 O HOH B 730 43.808 40.145 -13.034 1.00 30.09 O +HETATM 4715 O HOH B 731 36.050 55.545 6.786 1.00 37.49 O +HETATM 4716 O HOH B 732 38.361 59.270 3.275 1.00 53.62 O +HETATM 4717 O HOH B 733 40.217 64.375 2.797 1.00 44.11 O +HETATM 4718 O HOH B 739 41.541 53.966 -8.409 1.00 51.18 O +HETATM 4719 O HOH B 740 39.178 56.148 -9.152 1.00 32.47 O +HETATM 4720 O HOH B 741 40.084 58.973 -11.133 1.00 51.60 O +HETATM 4721 O HOH B 757 45.750 42.963 -13.260 1.00 55.00 O +HETATM 4722 O HOH B 758 53.894 43.192 17.506 1.00 50.14 O +HETATM 4723 O HOH B 759 51.308 41.624 18.445 1.00 44.78 O +HETATM 4724 O HOH B 760 51.831 41.946 22.916 1.00 43.08 O +CONECT 4397 4398 4399 4400 4405 +CONECT 4398 4397 +CONECT 4399 4397 +CONECT 4400 4397 4401 +CONECT 4401 4400 4402 +CONECT 4402 4401 4403 4404 +CONECT 4403 4402 4407 +CONECT 4404 4402 4405 4406 +CONECT 4405 4397 4404 +CONECT 4406 4404 4407 +CONECT 4407 4403 4406 4408 +CONECT 4408 4407 4409 4417 +CONECT 4409 4408 4410 +CONECT 4410 4409 4411 +CONECT 4411 4410 4412 4417 +CONECT 4412 4411 4413 4414 +CONECT 4413 4412 +CONECT 4414 4412 4415 +CONECT 4415 4414 4416 +CONECT 4416 4415 4417 +CONECT 4417 4408 4411 4416 +CONECT 4418 4419 4420 4421 4426 +CONECT 4419 4418 +CONECT 4420 4418 +CONECT 4421 4418 4422 +CONECT 4422 4421 4423 +CONECT 4423 4422 4424 4425 +CONECT 4424 4423 4428 +CONECT 4425 4423 4426 4427 +CONECT 4426 4418 4425 +CONECT 4427 4425 4428 +CONECT 4428 4424 4427 4429 +CONECT 4429 4428 4430 4438 +CONECT 4430 4429 4431 +CONECT 4431 4430 4432 +CONECT 4432 4431 4433 4438 +CONECT 4433 4432 4434 4435 +CONECT 4434 4433 +CONECT 4435 4433 4436 +CONECT 4436 4435 4437 +CONECT 4437 4436 4438 +CONECT 4438 4429 4432 4437 +MASTER 399 0 2 13 16 0 6 6 4718 6 42 42 +END diff --git a/biojava-structure/src/test/resources/2kc9.bcif b/biojava-structure/src/test/resources/2kc9.bcif new file mode 100644 index 0000000000000000000000000000000000000000..fe176e6a6d2b93c3bbcd3e2196137673056a5808 GIT binary patch literal 407266 zcmeEP2VfM%*WaC;-D_!7Q7ngDdIE^pFeD*CLK2dIfF)d#BRNSkcL9P5*riwy?21xD zFMV3Kxm3JiOHN7)x2v?8g?3x0DsG z$gx$TZ;6$ars|dA6)9pj#Pbh(&MzBOZ8Lk$F0xfun2F_9&-KaZN>3M7mya7~HQW4m z&3VLg*WzSziOsYG^{mKJhSgXr3v$JqAN8DEJ){iv+FY4sDnLCbT9%KVkW^k(X2X|T ztRu>-mZCCq;YZ?4IhM(0px6&s<9)7m2f(1`&2~Tx{VXaqS;uc%T3J5P+oJdFSLd0k z3N5z0g7UI)<&~v=+Mv#g6kAqkDX`^+uDU*+jO5)qRPiA_lV&z;q4uP?UQDsJr6%QK!m(RlVOuPo{%J`_F9Bnn_JleNHN z@m|oH2K@T40S}dq6?vlE=bNnNyac~!Jm)3riolshXJjMEK=G1t zX{EWM#8hCmhPHCfRBXMbnfJ|?SZyX-RrA01o2@`_Fwbbp%u$)mt;ileO@V^|kl|h` 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http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +PDB 2KC9 +RCSB RCSB100941 +# +_database_PDB_rev.num 1 +_database_PDB_rev.date 2009-03-17 +_database_PDB_rev.date_original 2008-12-17 +_database_PDB_rev.mod_type 0 +_database_PDB_rev.replaces 2KC9 +_database_PDB_rev.status ? +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 2KC8 +_pdbx_database_related.content_type unspecified +_pdbx_database_related.details +'Structure of E. coli toxin RelE (R81A/R83A) mutant in complex with antitoxin RelBc (K47-L79) peptide' +# +_pdbx_database_status.deposit_site BMRB +_pdbx_database_status.entry_id 2KC9 +_pdbx_database_status.process_site RCSB +_pdbx_database_status.SG_entry ? +_pdbx_database_status.status_code REL +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Li, G.' 1 +'Zhang, Y.' 2 +'Inouye, M.' 3 +'Ikura, M.' 4 +# +_citation.id primary +_citation.title 'RelE toxin is inhibited by antitoxin RelB through a helix displacement' +_citation.journal_abbrev 'To be Published' +_citation.journal_volume ? +_citation.page_first ? +_citation.page_last ? +_citation.year ? +_citation.journal_id_ASTM ? +_citation.country ? +_citation.journal_id_ISSN ? +_citation.journal_id_CSD 0353 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed ? +_citation.pdbx_database_id_DOI ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Li, G.' 1 +primary 'Zhang, Y.' 2 +primary 'Inouye, M.' 3 +primary 'Ikura, M.' 4 +# +_entity.id 1 +_entity.type polymer +_entity.src_method man +_entity.pdbx_description 'Toxin relE' +_entity.formula_weight 11356.394 +_entity.pdbx_number_of_molecules 1 +_entity.details ? +_entity.pdbx_mutation 'R81A, R83A' +_entity.pdbx_fragment ? +_entity.pdbx_ec ? +# +_entity_keywords.entity_id 1 +_entity_keywords.text ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;GSHMAYFLDFDERALKEWRKLGSTVREQLKKKLVEVLESPRIEANKLRGMPDCYKIKLRSSGYRLVYQVIDEKVVVFVIS +VGKAEASEVYSEAVKRIL +; +_entity_poly.pdbx_seq_one_letter_code_can +;GSHMAYFLDFDERALKEWRKLGSTVREQLKKKLVEVLESPRIEANKLRGMPDCYKIKLRSSGYRLVYQVIDEKVVVFVIS +VGKAEASEVYSEAVKRIL +; +_entity_poly.pdbx_strand_id A +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLY n +1 2 SER n +1 3 HIS n +1 4 MET n +1 5 ALA n +1 6 TYR n +1 7 PHE n +1 8 LEU n +1 9 ASP n +1 10 PHE n +1 11 ASP n +1 12 GLU n +1 13 ARG n +1 14 ALA n +1 15 LEU n +1 16 LYS n +1 17 GLU n +1 18 TRP n +1 19 ARG n +1 20 LYS n +1 21 LEU n +1 22 GLY n +1 23 SER n +1 24 THR n +1 25 VAL n +1 26 ARG n +1 27 GLU n +1 28 GLN n +1 29 LEU n +1 30 LYS n +1 31 LYS n +1 32 LYS n +1 33 LEU n +1 34 VAL n +1 35 GLU n +1 36 VAL n +1 37 LEU n +1 38 GLU n +1 39 SER n +1 40 PRO n +1 41 ARG n +1 42 ILE n +1 43 GLU n +1 44 ALA n +1 45 ASN n +1 46 LYS n +1 47 LEU n +1 48 ARG n +1 49 GLY n +1 50 MET n +1 51 PRO n +1 52 ASP n +1 53 CYS n +1 54 TYR n +1 55 LYS n +1 56 ILE n +1 57 LYS n +1 58 LEU n +1 59 ARG n +1 60 SER n +1 61 SER n +1 62 GLY n +1 63 TYR n +1 64 ARG n +1 65 LEU n +1 66 VAL n +1 67 TYR n +1 68 GLN n +1 69 VAL n +1 70 ILE n +1 71 ASP n +1 72 GLU n +1 73 LYS n +1 74 VAL n +1 75 VAL n +1 76 VAL n +1 77 PHE n +1 78 VAL n +1 79 ILE n +1 80 SER n +1 81 VAL n +1 82 GLY n +1 83 LYS n +1 84 ALA n +1 85 GLU n +1 86 ALA n +1 87 SER n +1 88 GLU n +1 89 VAL n +1 90 TYR n +1 91 SER n +1 92 GLU n +1 93 ALA n +1 94 VAL n +1 95 LYS n +1 96 ARG n +1 97 ILE n +1 98 LEU n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.gene_src_common_name ? +_entity_src_gen.gene_src_genus ? +_entity_src_gen.pdbx_gene_src_gene 'relE, b1563, JW1555' +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain K-12 +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Escherichia coli' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 83333 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 +_entity_src_gen.host_org_genus ? +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain BL21 +_entity_src_gen.pdbx_host_org_variant DE3 +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type ? +_entity_src_gen.pdbx_host_org_vector pET28a +_entity_src_gen.plasmid_name ? +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description +'RelE is expressed with his-tag fusion. The his-tag is removed by thrombin afterward' +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code RELE_ECOLI +_struct_ref.pdbx_db_accession P0C077 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code +;MAYFLDFDERALKEWRKLGSTVREQLKKKLVEVLESPRIEANKLRGMPDCYKIKLRSSGY +RLVYQVIDEKVVVFVISVGKRERSEVYSEAVKRIL +; +_struct_ref.pdbx_align_begin 1 +_struct_ref.biol_id . +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 2KC9 +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 4 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 98 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P0C077 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.db_align_end 95 +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 95 +# +loop_ +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_pdb_ins_code +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +_struct_ref_seq_dif.pdbx_ordinal +1 2KC9 GLY A 1 ? UNP P0C077 ? ? 'EXPRESSION TAG' -2 1 +1 2KC9 SER A 2 ? UNP P0C077 ? ? 'EXPRESSION TAG' -1 2 +1 2KC9 HIS A 3 ? UNP P0C077 ? ? 'EXPRESSION TAG' 0 3 +1 2KC9 ALA A 84 ? UNP P0C077 ARG 81 ENGINEERED 81 4 +1 2KC9 ALA A 86 ? UNP P0C077 ARG 83 ENGINEERED 83 5 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.207 +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.094 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.191 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.174 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.104 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.130 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.210 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.197 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.228 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.120 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.147 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.132 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.174 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.154 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.164 +# +loop_ +_pdbx_nmr_exptl.conditions_id +_pdbx_nmr_exptl.experiment_id +_pdbx_nmr_exptl.solution_id +_pdbx_nmr_exptl.type +1 1 1 '2D 1H-15N HSQC' +1 2 1 '3D HNCACB' +1 3 1 '3D C(CO)NH' +1 4 1 '3D HNCO' +1 5 1 '3D H(CCO)NH' +1 6 1 '3D 1H-15N NOESY' +1 7 2 '2D 1H-13C HSQC' +1 8 2 '3D HCCH-TOCSY' +1 9 2 '3D HCCH-COSY' +1 10 2 '3D 1H-13C NOESY' +# +_pdbx_nmr_exptl_sample_conditions.conditions_id 1 +_pdbx_nmr_exptl_sample_conditions.ionic_strength 0.5 +_pdbx_nmr_exptl_sample_conditions.pH 6.5 +_pdbx_nmr_exptl_sample_conditions.pressure ambient +_pdbx_nmr_exptl_sample_conditions.pressure_units ? +_pdbx_nmr_exptl_sample_conditions.temperature 296.5 +# +loop_ +_pdbx_nmr_sample_details.contents +_pdbx_nmr_sample_details.solution_id +_pdbx_nmr_sample_details.solvent_system +;0.5 mM [U-13C; U-15N] RelE-1, 25 mM sodium phosphate-2, 500 mM sodium chloride-3, 1 mM DTT-4, 0.5 mM sodium azide-5, 90% H2O/10% D2O +; +1 '90% H2O/10% D2O' +'0.5 mM [U-13C; U-15N] RelE-6, 25 mM sodium phosphate-7, 500 mM sodium chloride-8, 1 mM DTT-9, 0.5 mM sodium azide-10, 100% D2O' +2 '100% D2O' +# +loop_ +_pdbx_nmr_spectrometer.field_strength +_pdbx_nmr_spectrometer.manufacturer +_pdbx_nmr_spectrometer.model +_pdbx_nmr_spectrometer.spectrometer_id +_pdbx_nmr_spectrometer.type +500 Varian INOVA 1 'Varian INOVA' +800 Bruker Avance 2 'Bruker Avance' +# +_pdbx_nmr_refine.entry_id 2KC9 +_pdbx_nmr_refine.method 'torsion angle dynamics, simulated annealing' +_pdbx_nmr_refine.details ? +# +_pdbx_nmr_ensemble.average_constraint_violations_per_residue ? +_pdbx_nmr_ensemble.average_constraints_per_residue ? +_pdbx_nmr_ensemble.average_distance_constraint_violation ? +_pdbx_nmr_ensemble.average_torsion_angle_constraint_violation 3.099 +_pdbx_nmr_ensemble.conformer_selection_criteria 'structures with the lowest energy' +_pdbx_nmr_ensemble.conformers_calculated_total_number 100 +_pdbx_nmr_ensemble.conformers_submitted_total_number 20 +_pdbx_nmr_ensemble.distance_constraint_violation_method ? +_pdbx_nmr_ensemble.entry_id 2KC9 +_pdbx_nmr_ensemble.maximum_distance_constraint_violation ? +_pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ? +_pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation 3.839 +_pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation 0.248 +_pdbx_nmr_ensemble.torsion_angle_constraint_violation_method CNS +# +_pdbx_nmr_representative.conformer_id 1 +_pdbx_nmr_representative.entry_id 2KC9 +_pdbx_nmr_representative.selection_criteria 'lowest energy' +# +loop_ +_pdbx_nmr_software.authors +_pdbx_nmr_software.classification +_pdbx_nmr_software.name +_pdbx_nmr_software.version +_pdbx_nmr_software.ordinal +'Bruker Biospin' collection TOPSPIN 2.0 1 +'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' processing NMRPipe ? 2 +'Bartels et al.' 'data analysis' XEASY ? 3 +'Bartels et al.' 'peak picking' XEASY ? 4 +'Bartels et al.' 'chemical shift assignment' XEASY ? 5 +'Guntert, Mumenthaler and Wuthrich' 'structure solution' CYANA 2.1 6 +'Guntert, Mumenthaler and Wuthrich' 'automated noe peak assignments' CYANA 2.1 7 +'Brunger, Adams, Clore, Gros, Nilges and Read' 'structure solution' CNS 1.1 8 +'Brunger, Adams, Clore, Gros, Nilges and Read' refinement CNS 1.1 9 +'Koradi, Billeter and Wuthrich' 'structure analysis' Molmol ? 10 +'Laskowski and MacArthur' 'data analysis' ProcheckNMR ? 11 +Varian collection VNMR ? 12 +# +_exptl.absorpt_coefficient_mu ? +_exptl.absorpt_correction_T_max ? +_exptl.absorpt_correction_T_min ? +_exptl.absorpt_correction_type ? +_exptl.absorpt_process_details ? +_exptl.crystals_number ? +_exptl.details 'There is a related deposition of this protein in complex with a antitoxin peptide' +_exptl.entry_id 2KC9 +_exptl.method 'SOLUTION NMR' +_exptl.method_details ? +# +_struct.entry_id 2KC9 +_struct.title 'Structure of E. coli toxin RelE (R81A/R83A) mutant in the free state' +_struct.pdbx_descriptor 'Toxin relE' +_struct.pdbx_model_details ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 2KC9 +_struct_keywords.pdbx_keywords TOXIN +_struct_keywords.text 'RelE, Toxin, Repressor, Stress response, Transcription, Transcription regulation' +# +_struct_asym.id A +_struct_asym.pdbx_blank_PDB_chainid_flag N +_struct_asym.pdbx_modified N +_struct_asym.entity_id 1 +_struct_asym.details ? +# +_struct_biol.id 1 +_struct_biol.details ? +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 ASP A 11 ? LEU A 21 ? ASP A 8 LEU A 18 1 ? 11 +HELX_P HELX_P2 2 GLY A 22 ? LEU A 37 ? GLY A 19 LEU A 34 1 ? 16 +HELX_P HELX_P3 3 SER A 87 ? ILE A 97 ? SER A 84 ILE A 94 1 ? 11 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +_struct_sheet.id A +_struct_sheet.type ? +_struct_sheet.number_strands 4 +_struct_sheet.details ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? parallel +A 2 3 ? anti-parallel +A 3 4 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.symmetry +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 PHE A 7 ? PHE A 10 ? ? PHE A 4 PHE A 7 +A 2 VAL A 75 ? GLY A 82 ? ? VAL A 72 GLY A 79 +A 3 ARG A 64 ? ILE A 70 ? ? ARG A 61 ILE A 67 +A 4 CYS A 53 ? LYS A 57 ? ? CYS A 50 LYS A 54 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 N PHE A 7 ? N PHE A 4 O VAL A 76 ? O VAL A 73 +A 2 3 O PHE A 77 ? O PHE A 74 N GLN A 68 ? N GLN A 65 +A 3 4 O TYR A 67 ? O TYR A 64 N TYR A 54 ? N TYR A 51 +# +_atom_sites.entry_id 2KC9 +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 1.000000 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 1.000000 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 1.000000 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +N +C +O +S +H +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x_esd +_atom_site.Cartn_y_esd +_atom_site.Cartn_z_esd +_atom_site.occupancy_esd +_atom_site.B_iso_or_equiv_esd +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . MET A 1 4 ? 11.137 15.464 -2.009 1.00 0.00 ? ? ? ? ? ? 1 MET A N 1 +ATOM 2 C CA . MET A 1 4 ? 11.403 14.375 -2.926 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 1 +ATOM 3 C C . MET A 1 4 ? 10.155 13.550 -3.034 1.00 0.00 ? ? ? ? ? ? 1 MET A C 1 +ATOM 4 O O . MET A 1 4 ? 9.527 13.246 -2.029 1.00 0.00 ? ? ? ? ? ? 1 MET A O 1 +ATOM 5 C CB . MET A 1 4 ? 12.557 13.508 -2.413 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 1 +ATOM 6 C CG . MET A 1 4 ? 13.011 12.411 -3.371 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 1 +ATOM 7 S SD . MET A 1 4 ? 14.353 11.401 -2.691 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 1 +ATOM 8 C CE . MET A 1 4 ? 14.675 10.299 -4.073 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 1 +ATOM 9 H H . MET A 1 4 ? 10.888 15.083 -1.077 1.00 0.00 ? ? ? ? ? ? 1 MET A H 1 +ATOM 10 H HA . MET A 1 4 ? 11.654 14.796 -3.886 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 1 +ATOM 11 H HB2 . MET A 1 4 ? 13.398 14.146 -2.198 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 1 +ATOM 12 H HB3 . MET A 1 4 ? 12.216 13.039 -1.503 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 1 +ATOM 13 H HG2 . MET A 1 4 ? 12.174 11.767 -3.594 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 1 +ATOM 14 H HG3 . MET A 1 4 ? 13.359 12.873 -4.283 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 1 +ATOM 15 H HE1 . MET A 1 4 ? 14.960 10.881 -4.937 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 1 +ATOM 16 H HE2 . MET A 1 4 ? 13.785 9.731 -4.299 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 1 +ATOM 17 H HE3 . MET A 1 4 ? 15.476 9.622 -3.815 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 1 +ATOM 18 N N . ALA A 1 5 ? 9.800 13.200 -4.229 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 1 +ATOM 19 C CA . ALA A 1 5 ? 8.602 12.444 -4.471 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 1 +ATOM 20 C C . ALA A 1 5 ? 8.939 11.156 -5.172 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 1 +ATOM 21 O O . ALA A 1 5 ? 9.832 11.111 -6.038 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 1 +ATOM 22 C CB . ALA A 1 5 ? 7.608 13.252 -5.284 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 1 +ATOM 23 H H . ALA A 1 5 ? 10.390 13.433 -4.975 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 1 +ATOM 24 H HA . ALA A 1 5 ? 8.155 12.214 -3.514 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 1 +ATOM 25 H HB1 . ALA A 1 5 ? 8.021 13.450 -6.262 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 1 +ATOM 26 H HB2 . ALA A 1 5 ? 7.402 14.182 -4.776 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 1 +ATOM 27 H HB3 . ALA A 1 5 ? 6.695 12.683 -5.381 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 1 +ATOM 28 N N . TYR A 1 6 ? 8.260 10.125 -4.798 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 1 +ATOM 29 C CA . TYR A 1 6 ? 8.477 8.817 -5.359 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 1 +ATOM 30 C C . TYR A 1 6 ? 7.337 8.490 -6.282 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 1 +ATOM 31 O O . TYR A 1 6 ? 6.365 9.246 -6.360 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 1 +ATOM 32 C CB . TYR A 1 6 ? 8.588 7.757 -4.247 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 1 +ATOM 33 C CG . TYR A 1 6 ? 9.792 7.922 -3.337 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 1 +ATOM 34 C CD1 . TYR A 1 6 ? 9.931 9.044 -2.530 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 1 +ATOM 35 C CD2 . TYR A 1 6 ? 10.780 6.947 -3.273 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 1 +ATOM 36 C CE1 . TYR A 1 6 ? 11.004 9.196 -1.696 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 1 +ATOM 37 C CE2 . TYR A 1 6 ? 11.867 7.094 -2.433 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 1 +ATOM 38 C CZ . TYR A 1 6 ? 11.968 8.224 -1.646 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 1 +ATOM 39 O OH . TYR A 1 6 ? 13.035 8.380 -0.799 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 1 +ATOM 40 H H . TYR A 1 6 ? 7.555 10.235 -4.126 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 1 +ATOM 41 H HA . TYR A 1 6 ? 9.397 8.838 -5.922 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 1 +ATOM 42 H HB2 . TYR A 1 6 ? 7.704 7.796 -3.629 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 1 +ATOM 43 H HB3 . TYR A 1 6 ? 8.649 6.781 -4.706 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 1 +ATOM 44 H HD1 . TYR A 1 6 ? 9.171 9.810 -2.572 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 1 +ATOM 45 H HD2 . TYR A 1 6 ? 10.694 6.064 -3.891 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 1 +ATOM 46 H HE1 . TYR A 1 6 ? 11.084 10.081 -1.082 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 1 +ATOM 47 H HE2 . TYR A 1 6 ? 12.629 6.329 -2.392 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 1 +ATOM 48 H HH . TYR A 1 6 ? 13.840 8.250 -1.319 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 1 +ATOM 49 N N . PHE A 1 7 ? 7.457 7.410 -6.983 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 1 +ATOM 50 C CA . PHE A 1 7 ? 6.424 6.979 -7.893 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 1 +ATOM 51 C C . PHE A 1 7 ? 5.525 5.984 -7.183 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 1 +ATOM 52 O O . PHE A 1 7 ? 5.893 5.475 -6.129 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 1 +ATOM 53 C CB . PHE A 1 7 ? 7.064 6.366 -9.136 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 1 +ATOM 54 C CG . PHE A 1 7 ? 7.960 7.328 -9.863 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 1 +ATOM 55 C CD1 . PHE A 1 7 ? 7.443 8.486 -10.421 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 1 +ATOM 56 C CD2 . PHE A 1 7 ? 9.317 7.079 -9.982 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 1 +ATOM 57 C CE1 . PHE A 1 7 ? 8.262 9.376 -11.084 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 1 +ATOM 58 C CE2 . PHE A 1 7 ? 10.141 7.966 -10.644 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 1 +ATOM 59 C CZ . PHE A 1 7 ? 9.613 9.116 -11.195 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 1 +ATOM 60 H H . PHE A 1 7 ? 8.267 6.861 -6.890 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 1 +ATOM 61 H HA . PHE A 1 7 ? 5.842 7.843 -8.178 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 1 +ATOM 62 H HB2 . PHE A 1 7 ? 7.684 5.540 -8.816 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 1 +ATOM 63 H HB3 . PHE A 1 7 ? 6.309 6.006 -9.818 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 1 +ATOM 64 H HD1 . PHE A 1 7 ? 6.386 8.692 -10.334 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 1 +ATOM 65 H HD2 . PHE A 1 7 ? 9.732 6.181 -9.551 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 1 +ATOM 66 H HE1 . PHE A 1 7 ? 7.842 10.273 -11.514 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 1 +ATOM 67 H HE2 . PHE A 1 7 ? 11.197 7.760 -10.729 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 1 +ATOM 68 H HZ . PHE A 1 7 ? 10.255 9.811 -11.714 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 1 +ATOM 69 N N . LEU A 1 8 ? 4.369 5.711 -7.730 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 1 +ATOM 70 C CA . LEU A 1 8 ? 3.442 4.786 -7.100 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 1 +ATOM 71 C C . LEU A 1 8 ? 3.080 3.703 -8.126 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 1 +ATOM 72 O O . LEU A 1 8 ? 2.774 4.020 -9.273 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 1 +ATOM 73 C CB . LEU A 1 8 ? 2.170 5.560 -6.649 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 1 +ATOM 74 C CG . LEU A 1 8 ? 1.350 5.009 -5.441 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 1 +ATOM 75 C CD1 . LEU A 1 8 ? 0.895 3.577 -5.624 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 1 +ATOM 76 C CD2 . LEU A 1 8 ? 2.116 5.160 -4.145 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 1 +ATOM 77 H H . LEU A 1 8 ? 4.110 6.128 -8.583 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 1 +ATOM 78 H HA . LEU A 1 8 ? 3.922 4.337 -6.242 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 1 +ATOM 79 H HB2 . LEU A 1 8 ? 2.471 6.566 -6.400 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 1 +ATOM 80 H HB3 . LEU A 1 8 ? 1.508 5.617 -7.501 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 1 +ATOM 81 H HG . LEU A 1 8 ? 0.453 5.605 -5.355 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 1 +ATOM 82 H HD11 . LEU A 1 8 ? 0.196 3.516 -6.446 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 1 +ATOM 83 H HD12 . LEU A 1 8 ? 0.438 3.227 -4.711 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 1 +ATOM 84 H HD13 . LEU A 1 8 ? 1.756 2.963 -5.838 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 1 +ATOM 85 H HD21 . LEU A 1 8 ? 3.052 4.632 -4.228 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 1 +ATOM 86 H HD22 . LEU A 1 8 ? 1.539 4.734 -3.339 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 1 +ATOM 87 H HD23 . LEU A 1 8 ? 2.299 6.204 -3.946 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 1 +ATOM 88 N N . ASP A 1 9 ? 3.137 2.449 -7.721 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 1 +ATOM 89 C CA . ASP A 1 9 ? 2.788 1.322 -8.587 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 1 +ATOM 90 C C . ASP A 1 9 ? 1.920 0.333 -7.802 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 1 +ATOM 91 O O . ASP A 1 9 ? 1.926 0.347 -6.570 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 1 +ATOM 92 C CB . ASP A 1 9 ? 4.063 0.643 -9.123 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 1 +ATOM 93 C CG . ASP A 1 9 ? 3.808 -0.464 -10.138 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 1 +ATOM 94 O OD1 . ASP A 1 9 ? 2.728 -0.492 -10.767 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 1 +ATOM 95 O OD2 . ASP A 1 9 ? 4.702 -1.308 -10.336 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 1 +ATOM 96 H H . ASP A 1 9 ? 3.422 2.256 -6.797 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 1 +ATOM 97 H HA . ASP A 1 9 ? 2.207 1.708 -9.410 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 1 +ATOM 98 H HB2 . ASP A 1 9 ? 4.691 1.386 -9.590 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 1 +ATOM 99 H HB3 . ASP A 1 9 ? 4.591 0.217 -8.283 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 1 +ATOM 100 N N . PHE A 1 10 ? 1.201 -0.511 -8.496 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 1 +ATOM 101 C CA . PHE A 1 10 ? 0.257 -1.435 -7.881 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 1 +ATOM 102 C C . PHE A 1 10 ? 0.450 -2.836 -8.426 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 1 +ATOM 103 O O . PHE A 1 10 ? 0.719 -3.016 -9.625 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 1 +ATOM 104 C CB . PHE A 1 10 ? -1.194 -1.032 -8.184 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 1 +ATOM 105 C CG . PHE A 1 10 ? -1.659 0.290 -7.649 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 1 +ATOM 106 C CD1 . PHE A 1 10 ? -1.500 1.452 -8.387 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 1 +ATOM 107 C CD2 . PHE A 1 10 ? -2.288 0.365 -6.419 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 1 +ATOM 108 C CE1 . PHE A 1 10 ? -1.956 2.660 -7.907 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 1 +ATOM 109 C CE2 . PHE A 1 10 ? -2.742 1.570 -5.929 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 1 +ATOM 110 C CZ . PHE A 1 10 ? -2.577 2.718 -6.673 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 1 +ATOM 111 H H . PHE A 1 10 ? 1.362 -0.554 -9.467 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 1 +ATOM 112 H HA . PHE A 1 10 ? 0.401 -1.428 -6.811 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 1 +ATOM 113 H HB2 . PHE A 1 10 ? -1.322 -0.996 -9.256 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 1 +ATOM 114 H HB3 . PHE A 1 10 ? -1.847 -1.799 -7.792 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 1 +ATOM 115 H HD1 . PHE A 1 10 ? -1.012 1.405 -9.350 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 1 +ATOM 116 H HD2 . PHE A 1 10 ? -2.416 -0.535 -5.835 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 1 +ATOM 117 H HE1 . PHE A 1 10 ? -1.825 3.558 -8.492 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 1 +ATOM 118 H HE2 . PHE A 1 10 ? -3.229 1.614 -4.966 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 1 +ATOM 119 H HZ . PHE A 1 10 ? -2.936 3.662 -6.292 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 1 +ATOM 120 N N . ASP A 1 11 ? 0.320 -3.817 -7.569 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 1 +ATOM 121 C CA . ASP A 1 11 ? 0.336 -5.212 -7.993 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 1 +ATOM 122 C C . ASP A 1 11 ? -0.998 -5.573 -8.619 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 1 +ATOM 123 O O . ASP A 1 11 ? -2.021 -5.001 -8.253 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 1 +ATOM 124 C CB . ASP A 1 11 ? 0.604 -6.140 -6.820 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 1 +ATOM 125 C CG . ASP A 1 11 ? 0.528 -7.578 -7.237 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 1 +ATOM 126 O OD1 . ASP A 1 11 ? 1.272 -7.986 -8.144 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 1 +ATOM 127 O OD2 . ASP A 1 11 ? -0.300 -8.309 -6.717 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 1 +ATOM 128 H H . ASP A 1 11 ? 0.238 -3.621 -6.610 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 1 +ATOM 129 H HA . ASP A 1 11 ? 1.116 -5.331 -8.730 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 1 +ATOM 130 H HB2 . ASP A 1 11 ? 1.587 -5.944 -6.419 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 1 +ATOM 131 H HB3 . ASP A 1 11 ? -0.137 -5.967 -6.054 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 1 +ATOM 132 N N . GLU A 1 12 ? -0.996 -6.506 -9.557 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 1 +ATOM 133 C CA . GLU A 1 12 ? -2.209 -6.907 -10.226 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 1 +ATOM 134 C C . GLU A 1 12 ? -3.231 -7.560 -9.264 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 1 +ATOM 135 O O . GLU A 1 12 ? -4.435 -7.478 -9.495 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 1 +ATOM 136 C CB . GLU A 1 12 ? -1.933 -7.703 -11.529 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 1 +ATOM 137 C CG . GLU A 1 12 ? -1.366 -9.107 -11.382 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 1 +ATOM 138 C CD . GLU A 1 12 ? -2.442 -10.144 -11.194 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 1 +ATOM 139 O OE1 . GLU A 1 12 ? -3.191 -10.423 -12.158 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 1 +ATOM 140 O OE2 . GLU A 1 12 ? -2.573 -10.690 -10.102 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 1 +ATOM 141 H H . GLU A 1 12 ? -0.147 -6.952 -9.775 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 1 +ATOM 142 H HA . GLU A 1 12 ? -2.666 -5.964 -10.496 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 1 +ATOM 143 H HB2 . GLU A 1 12 ? -2.863 -7.793 -12.072 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 1 +ATOM 144 H HB3 . GLU A 1 12 ? -1.250 -7.123 -12.133 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 1 +ATOM 145 H HG2 . GLU A 1 12 ? -0.781 -9.357 -12.254 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 1 +ATOM 146 H HG3 . GLU A 1 12 ? -0.732 -9.122 -10.508 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 1 +ATOM 147 N N . ARG A 1 13 ? -2.753 -8.210 -8.189 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 1 +ATOM 148 C CA . ARG A 1 13 ? -3.660 -8.786 -7.192 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 1 +ATOM 149 C C . ARG A 1 13 ? -4.273 -7.647 -6.397 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 1 +ATOM 150 O O . ARG A 1 13 ? -5.485 -7.618 -6.143 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 1 +ATOM 151 C CB . ARG A 1 13 ? -2.936 -9.773 -6.249 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 1 +ATOM 152 C CG . ARG A 1 13 ? -2.276 -10.947 -6.960 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 1 +ATOM 153 C CD . ARG A 1 13 ? -1.513 -11.848 -5.997 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 1 +ATOM 154 N NE . ARG A 1 13 ? -0.791 -12.929 -6.701 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 1 +ATOM 155 C CZ . ARG A 1 13 ? 0.197 -13.687 -6.176 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 1 +ATOM 156 N NH1 . ARG A 1 13 ? 0.621 -13.487 -4.943 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 1 +ATOM 157 N NH2 . ARG A 1 13 ? 0.768 -14.641 -6.904 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 1 +ATOM 158 H H . ARG A 1 13 ? -1.783 -8.303 -8.039 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 1 +ATOM 159 H HA . ARG A 1 13 ? -4.445 -9.296 -7.729 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 1 +ATOM 160 H HB2 . ARG A 1 13 ? -2.172 -9.233 -5.708 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 1 +ATOM 161 H HB3 . ARG A 1 13 ? -3.651 -10.163 -5.539 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 1 +ATOM 162 H HG2 . ARG A 1 13 ? -3.035 -11.530 -7.459 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 1 +ATOM 163 H HG3 . ARG A 1 13 ? -1.589 -10.549 -7.692 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 1 +ATOM 164 H HD2 . ARG A 1 13 ? -0.799 -11.247 -5.451 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 1 +ATOM 165 H HD3 . ARG A 1 13 ? -2.214 -12.287 -5.303 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 1 +ATOM 166 H HE . ARG A 1 13 ? -1.082 -13.066 -7.631 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 1 +ATOM 167 H HH11 . ARG A 1 13 ? 0.234 -12.774 -4.335 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 1 +ATOM 168 H HH12 . ARG A 1 13 ? 1.363 -14.027 -4.545 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 1 +ATOM 169 H HH21 . ARG A 1 13 ? 0.484 -14.825 -7.848 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 1 +ATOM 170 H HH22 . ARG A 1 13 ? 1.518 -15.196 -6.538 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 1 +ATOM 171 N N . ALA A 1 14 ? -3.430 -6.671 -6.067 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 1 +ATOM 172 C CA . ALA A 1 14 ? -3.851 -5.485 -5.354 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 1 +ATOM 173 C C . ALA A 1 14 ? -4.865 -4.693 -6.175 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 1 +ATOM 174 O O . ALA A 1 14 ? -5.811 -4.172 -5.636 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 1 +ATOM 175 C CB . ALA A 1 14 ? -2.650 -4.612 -4.995 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 1 +ATOM 176 H H . ALA A 1 14 ? -2.484 -6.775 -6.309 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 1 +ATOM 177 H HA . ALA A 1 14 ? -4.327 -5.804 -4.438 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 1 +ATOM 178 H HB1 . ALA A 1 14 ? -2.979 -3.760 -4.419 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 1 +ATOM 179 H HB2 . ALA A 1 14 ? -2.169 -4.265 -5.899 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 1 +ATOM 180 H HB3 . ALA A 1 14 ? -1.945 -5.187 -4.412 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 1 +ATOM 181 N N . LEU A 1 15 ? -4.671 -4.651 -7.491 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 1 +ATOM 182 C CA . LEU A 1 15 ? -5.566 -3.944 -8.400 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 1 +ATOM 183 C C . LEU A 1 15 ? -6.966 -4.519 -8.392 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 1 +ATOM 184 O O . LEU A 1 15 ? -7.948 -3.776 -8.451 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 1 +ATOM 185 C CB . LEU A 1 15 ? -5.010 -3.934 -9.820 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 1 +ATOM 186 C CG . LEU A 1 15 ? -3.847 -2.981 -10.087 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 1 +ATOM 187 C CD1 . LEU A 1 15 ? -3.321 -3.175 -11.495 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 1 +ATOM 188 C CD2 . LEU A 1 15 ? -4.298 -1.538 -9.899 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 1 +ATOM 189 H H . LEU A 1 15 ? -3.886 -5.100 -7.875 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 1 +ATOM 190 H HA . LEU A 1 15 ? -5.625 -2.922 -8.055 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 1 +ATOM 191 H HB2 . LEU A 1 15 ? -4.681 -4.939 -10.047 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 1 +ATOM 192 H HB3 . LEU A 1 15 ? -5.820 -3.687 -10.486 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 1 +ATOM 193 H HG . LEU A 1 15 ? -3.047 -3.181 -9.390 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 1 +ATOM 194 H HD11 . LEU A 1 15 ? -4.112 -2.970 -12.200 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 1 +ATOM 195 H HD12 . LEU A 1 15 ? -2.984 -4.194 -11.623 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 1 +ATOM 196 H HD13 . LEU A 1 15 ? -2.499 -2.497 -11.669 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 1 +ATOM 197 H HD21 . LEU A 1 15 ? -5.132 -1.334 -10.553 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 1 +ATOM 198 H HD22 . LEU A 1 15 ? -3.483 -0.876 -10.151 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 1 +ATOM 199 H HD23 . LEU A 1 15 ? -4.589 -1.369 -8.873 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 1 +ATOM 200 N N . LYS A 1 16 ? -7.056 -5.826 -8.291 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 1 +ATOM 201 C CA . LYS A 1 16 ? -8.340 -6.498 -8.258 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 1 +ATOM 202 C C . LYS A 1 16 ? -9.090 -6.099 -7.006 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 1 +ATOM 203 O O . LYS A 1 16 ? -10.277 -5.762 -7.064 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 1 +ATOM 204 C CB . LYS A 1 16 ? -8.133 -8.006 -8.295 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 1 +ATOM 205 C CG . LYS A 1 16 ? -7.534 -8.490 -9.593 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 1 +ATOM 206 C CD . LYS A 1 16 ? -6.878 -9.840 -9.429 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 1 +ATOM 207 C CE . LYS A 1 16 ? -6.246 -10.316 -10.730 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 1 +ATOM 208 N NZ . LYS A 1 16 ? -5.469 -9.249 -11.393 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 1 +ATOM 209 H H . LYS A 1 16 ? -6.227 -6.348 -8.234 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 1 +ATOM 210 H HA . LYS A 1 16 ? -8.899 -6.194 -9.130 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 1 +ATOM 211 H HB2 . LYS A 1 16 ? -7.474 -8.285 -7.486 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 1 +ATOM 212 H HB3 . LYS A 1 16 ? -9.086 -8.494 -8.155 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 1 +ATOM 213 H HG2 . LYS A 1 16 ? -8.311 -8.564 -10.340 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 1 +ATOM 214 H HG3 . LYS A 1 16 ? -6.791 -7.776 -9.914 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 1 +ATOM 215 H HD2 . LYS A 1 16 ? -6.106 -9.739 -8.681 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 1 +ATOM 216 H HD3 . LYS A 1 16 ? -7.615 -10.557 -9.101 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 1 +ATOM 217 H HE2 . LYS A 1 16 ? -5.565 -11.124 -10.502 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 1 +ATOM 218 H HE3 . LYS A 1 16 ? -7.015 -10.670 -11.398 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 1 +ATOM 219 H HZ1 . LYS A 1 16 ? -4.991 -8.654 -10.684 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 1 +ATOM 220 H HZ2 . LYS A 1 16 ? -6.045 -8.637 -12.008 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 1 +ATOM 221 H HZ3 . LYS A 1 16 ? -4.714 -9.687 -11.968 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 1 +ATOM 222 N N . GLU A 1 17 ? -8.382 -6.085 -5.891 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 1 +ATOM 223 C CA . GLU A 1 17 ? -8.956 -5.685 -4.631 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 1 +ATOM 224 C C . GLU A 1 17 ? -9.261 -4.184 -4.614 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 1 +ATOM 225 O O . GLU A 1 17 ? -10.281 -3.769 -4.114 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 1 +ATOM 226 C CB . GLU A 1 17 ? -8.023 -6.056 -3.493 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 1 +ATOM 227 C CG . GLU A 1 17 ? -7.657 -7.533 -3.470 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 1 +ATOM 228 C CD . GLU A 1 17 ? -8.867 -8.442 -3.437 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 1 +ATOM 229 O OE1 . GLU A 1 17 ? -9.773 -8.240 -2.597 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 1 +ATOM 230 O OE2 . GLU A 1 17 ? -8.965 -9.352 -4.283 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 1 +ATOM 231 H H . GLU A 1 17 ? -7.444 -6.384 -5.893 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 1 +ATOM 232 H HA . GLU A 1 17 ? -9.881 -6.229 -4.510 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 1 +ATOM 233 H HB2 . GLU A 1 17 ? -7.113 -5.482 -3.590 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 1 +ATOM 234 H HB3 . GLU A 1 17 ? -8.499 -5.809 -2.557 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 1 +ATOM 235 H HG2 . GLU A 1 17 ? -7.099 -7.749 -4.368 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 1 +ATOM 236 H HG3 . GLU A 1 17 ? -7.033 -7.725 -2.612 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 1 +ATOM 237 N N . TRP A 1 18 ? -8.378 -3.405 -5.201 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 1 +ATOM 238 C CA . TRP A 1 18 ? -8.499 -1.949 -5.292 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 1 +ATOM 239 C C . TRP A 1 18 ? -9.762 -1.553 -6.050 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 1 +ATOM 240 O O . TRP A 1 18 ? -10.515 -0.691 -5.621 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 1 +ATOM 241 C CB . TRP A 1 18 ? -7.259 -1.403 -6.018 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 1 +ATOM 242 C CG . TRP A 1 18 ? -7.226 0.077 -6.223 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 1 +ATOM 243 C CD1 . TRP A 1 18 ? -7.652 0.762 -7.321 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 1 +ATOM 244 C CD2 . TRP A 1 18 ? -6.720 1.050 -5.319 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 1 +ATOM 245 N NE1 . TRP A 1 18 ? -7.444 2.099 -7.149 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 1 +ATOM 246 C CE2 . TRP A 1 18 ? -6.873 2.304 -5.929 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 1 +ATOM 247 C CE3 . TRP A 1 18 ? -6.155 0.985 -4.048 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 1 +ATOM 248 C CZ2 . TRP A 1 18 ? -6.478 3.476 -5.319 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 1 +ATOM 249 C CZ3 . TRP A 1 18 ? -5.764 2.154 -3.442 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 1 +ATOM 250 C CH2 . TRP A 1 18 ? -5.928 3.381 -4.075 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 1 +ATOM 251 H H . TRP A 1 18 ? -7.568 -3.825 -5.570 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 1 +ATOM 252 H HA . TRP A 1 18 ? -8.526 -1.536 -4.295 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 1 +ATOM 253 H HB2 . TRP A 1 18 ? -6.375 -1.671 -5.460 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 1 +ATOM 254 H HB3 . TRP A 1 18 ? -7.206 -1.873 -6.990 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 1 +ATOM 255 H HD1 . TRP A 1 18 ? -8.093 0.295 -8.190 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 1 +ATOM 256 H HE1 . TRP A 1 18 ? -7.662 2.813 -7.790 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 1 +ATOM 257 H HE3 . TRP A 1 18 ? -6.021 0.040 -3.544 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 1 +ATOM 258 H HZ2 . TRP A 1 18 ? -6.601 4.432 -5.805 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 1 +ATOM 259 H HZ3 . TRP A 1 18 ? -5.323 2.129 -2.458 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 1 +ATOM 260 H HH2 . TRP A 1 18 ? -5.605 4.271 -3.556 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 1 +ATOM 261 N N . ARG A 1 19 ? -9.983 -2.194 -7.173 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 1 +ATOM 262 C CA . ARG A 1 19 ? -11.146 -1.916 -8.002 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 1 +ATOM 263 C C . ARG A 1 19 ? -12.414 -2.504 -7.390 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 1 +ATOM 264 O O . ARG A 1 19 ? -13.534 -2.074 -7.705 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 1 +ATOM 265 C CB . ARG A 1 19 ? -10.911 -2.419 -9.417 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 1 +ATOM 266 C CG . ARG A 1 19 ? -9.779 -1.686 -10.114 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 1 +ATOM 267 C CD . ARG A 1 19 ? -9.490 -2.271 -11.469 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 1 +ATOM 268 N NE . ARG A 1 19 ? -8.440 -1.534 -12.178 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 1 +ATOM 269 C CZ . ARG A 1 19 ? -7.942 -1.880 -13.370 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 1 +ATOM 270 N NH1 . ARG A 1 19 ? -8.350 -3.003 -13.961 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 1 +ATOM 271 N NH2 . ARG A 1 19 ? -7.041 -1.100 -13.965 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 1 +ATOM 272 H H . ARG A 1 19 ? -9.331 -2.873 -7.465 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 1 +ATOM 273 H HA . ARG A 1 19 ? -11.261 -0.842 -8.030 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 1 +ATOM 274 H HB2 . ARG A 1 19 ? -10.667 -3.471 -9.378 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 1 +ATOM 275 H HB3 . ARG A 1 19 ? -11.811 -2.289 -10.000 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 1 +ATOM 276 H HG2 . ARG A 1 19 ? -10.049 -0.646 -10.234 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 1 +ATOM 277 H HG3 . ARG A 1 19 ? -8.892 -1.757 -9.502 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 1 +ATOM 278 H HD2 . ARG A 1 19 ? -9.179 -3.297 -11.343 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 1 +ATOM 279 H HD3 . ARG A 1 19 ? -10.395 -2.241 -12.056 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 1 +ATOM 280 H HE . ARG A 1 19 ? -8.127 -0.724 -11.711 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 1 +ATOM 281 H HH11 . ARG A 1 19 ? -9.030 -3.610 -13.542 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 1 +ATOM 282 H HH12 . ARG A 1 19 ? -8.014 -3.312 -14.853 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 1 +ATOM 283 H HH21 . ARG A 1 19 ? -6.724 -0.244 -13.543 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 1 +ATOM 284 H HH22 . ARG A 1 19 ? -6.639 -1.337 -14.854 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 1 +ATOM 285 N N . LYS A 1 20 ? -12.223 -3.481 -6.528 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 1 +ATOM 286 C CA . LYS A 1 20 ? -13.301 -4.115 -5.776 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 1 +ATOM 287 C C . LYS A 1 20 ? -13.719 -3.207 -4.629 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 1 +ATOM 288 O O . LYS A 1 20 ? -14.887 -3.146 -4.263 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 1 +ATOM 289 C CB . LYS A 1 20 ? -12.787 -5.433 -5.204 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 1 +ATOM 290 C CG . LYS A 1 20 ? -13.778 -6.223 -4.361 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 1 +ATOM 291 C CD . LYS A 1 20 ? -13.093 -7.399 -3.674 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 1 +ATOM 292 C CE . LYS A 1 20 ? -12.436 -8.325 -4.680 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 1 +ATOM 293 N NZ . LYS A 1 20 ? -11.766 -9.464 -4.032 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 1 +ATOM 294 H H . LYS A 1 20 ? -11.306 -3.804 -6.398 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 1 +ATOM 295 H HA . LYS A 1 20 ? -14.139 -4.311 -6.426 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 1 +ATOM 296 H HB2 . LYS A 1 20 ? -12.486 -6.057 -6.032 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 1 +ATOM 297 H HB3 . LYS A 1 20 ? -11.917 -5.222 -4.598 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 1 +ATOM 298 H HG2 . LYS A 1 20 ? -14.206 -5.572 -3.612 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 1 +ATOM 299 H HG3 . LYS A 1 20 ? -14.560 -6.599 -5.003 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 1 +ATOM 300 H HD2 . LYS A 1 20 ? -12.335 -7.022 -3.005 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 1 +ATOM 301 H HD3 . LYS A 1 20 ? -13.828 -7.954 -3.110 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 1 +ATOM 302 H HE2 . LYS A 1 20 ? -13.190 -8.689 -5.361 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 1 +ATOM 303 H HE3 . LYS A 1 20 ? -11.703 -7.749 -5.225 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 1 +ATOM 304 H HZ1 . LYS A 1 20 ? -11.013 -9.119 -3.394 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 1 +ATOM 305 H HZ2 . LYS A 1 20 ? -11.291 -10.058 -4.740 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 1 +ATOM 306 H HZ3 . LYS A 1 20 ? -12.422 -10.054 -3.480 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 1 +ATOM 307 N N . LEU A 1 21 ? -12.738 -2.518 -4.079 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 1 +ATOM 308 C CA . LEU A 1 21 ? -12.907 -1.629 -2.950 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 1 +ATOM 309 C C . LEU A 1 21 ? -13.926 -0.542 -3.228 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 1 +ATOM 310 O O . LEU A 1 21 ? -14.110 -0.112 -4.382 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 1 +ATOM 311 C CB . LEU A 1 21 ? -11.575 -0.975 -2.578 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 1 +ATOM 312 C CG . LEU A 1 21 ? -10.985 -1.312 -1.208 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 1 +ATOM 313 C CD1 . LEU A 1 21 ? -10.687 -2.791 -1.076 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 1 +ATOM 314 C CD2 . LEU A 1 21 ? -9.735 -0.501 -0.985 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 1 +ATOM 315 H H . LEU A 1 21 ? -11.834 -2.627 -4.444 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 1 +ATOM 316 H HA . LEU A 1 21 ? -13.219 -2.247 -2.124 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 1 +ATOM 317 H HB2 . LEU A 1 21 ? -10.848 -1.250 -3.327 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 1 +ATOM 318 H HB3 . LEU A 1 21 ? -11.717 0.094 -2.625 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 1 +ATOM 319 H HG . LEU A 1 21 ? -11.689 -1.048 -0.434 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 1 +ATOM 320 H HD11 . LEU A 1 21 ? -9.970 -3.085 -1.827 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 1 +ATOM 321 H HD12 . LEU A 1 21 ? -11.600 -3.353 -1.211 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 1 +ATOM 322 H HD13 . LEU A 1 21 ? -10.284 -2.988 -0.094 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 1 +ATOM 323 H HD21 . LEU A 1 21 ? -9.320 -0.735 -0.015 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 1 +ATOM 324 H HD22 . LEU A 1 21 ? -9.984 0.549 -1.026 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 1 +ATOM 325 H HD23 . LEU A 1 21 ? -9.012 -0.731 -1.752 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 1 +ATOM 326 N N . GLY A 1 22 ? -14.574 -0.102 -2.171 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 1 +ATOM 327 C CA . GLY A 1 22 ? -15.540 0.954 -2.260 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 1 +ATOM 328 C C . GLY A 1 22 ? -14.904 2.207 -2.792 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 1 +ATOM 329 O O . GLY A 1 22 ? -13.765 2.520 -2.433 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 1 +ATOM 330 H H . GLY A 1 22 ? -14.377 -0.521 -1.307 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 1 +ATOM 331 H HA2 . GLY A 1 22 ? -16.333 0.642 -2.925 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 1 +ATOM 332 H HA3 . GLY A 1 22 ? -15.948 1.152 -1.280 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 1 +ATOM 333 N N . SER A 1 23 ? -15.622 2.910 -3.639 1.00 0.00 ? ? ? ? ? ? 20 SER A N 1 +ATOM 334 C CA . SER A 1 23 ? -15.143 4.097 -4.326 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 1 +ATOM 335 C C . SER A 1 23 ? -14.503 5.108 -3.357 1.00 0.00 ? ? ? ? ? ? 20 SER A C 1 +ATOM 336 O O . SER A 1 23 ? -13.353 5.485 -3.520 1.00 0.00 ? ? ? ? ? ? 20 SER A O 1 +ATOM 337 C CB . SER A 1 23 ? -16.318 4.725 -5.067 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 1 +ATOM 338 O OG . SER A 1 23 ? -17.000 3.735 -5.846 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 1 +ATOM 339 H H . SER A 1 23 ? -16.539 2.615 -3.823 1.00 0.00 ? ? ? ? ? ? 20 SER A H 1 +ATOM 340 H HA . SER A 1 23 ? -14.407 3.792 -5.056 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 1 +ATOM 341 H HB2 . SER A 1 23 ? -17.010 5.150 -4.354 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 1 +ATOM 342 H HB3 . SER A 1 23 ? -15.953 5.497 -5.727 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 1 +ATOM 343 H HG . SER A 1 23 ? -16.683 3.829 -6.754 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 1 +ATOM 344 N N . THR A 1 24 ? -15.225 5.449 -2.323 1.00 0.00 ? ? ? ? ? ? 21 THR A N 1 +ATOM 345 C CA . THR A 1 24 ? -14.790 6.424 -1.342 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 1 +ATOM 346 C C . THR A 1 24 ? -13.608 5.882 -0.512 1.00 0.00 ? ? ? ? ? ? 21 THR A C 1 +ATOM 347 O O . THR A 1 24 ? -12.727 6.641 -0.073 1.00 0.00 ? ? ? ? ? ? 21 THR A O 1 +ATOM 348 C CB . THR A 1 24 ? -15.972 6.779 -0.420 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 1 +ATOM 349 O OG1 . THR A 1 24 ? -17.111 7.143 -1.237 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 1 +ATOM 350 C CG2 . THR A 1 24 ? -15.631 7.947 0.490 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 1 +ATOM 351 H H . THR A 1 24 ? -16.096 5.019 -2.209 1.00 0.00 ? ? ? ? ? ? 21 THR A H 1 +ATOM 352 H HA . THR A 1 24 ? -14.482 7.318 -1.866 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 1 +ATOM 353 H HB . THR A 1 24 ? -16.209 5.908 0.173 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 1 +ATOM 354 H HG1 . THR A 1 24 ? -17.673 6.359 -1.298 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 1 +ATOM 355 H HG21 . THR A 1 24 ? -14.778 7.692 1.101 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 1 +ATOM 356 H HG22 . THR A 1 24 ? -16.478 8.158 1.127 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 1 +ATOM 357 H HG23 . THR A 1 24 ? -15.402 8.817 -0.107 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 1 +ATOM 358 N N . VAL A 1 25 ? -13.578 4.575 -0.342 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 1 +ATOM 359 C CA . VAL A 1 25 ? -12.542 3.923 0.424 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 1 +ATOM 360 C C . VAL A 1 25 ? -11.234 3.950 -0.361 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 1 +ATOM 361 O O . VAL A 1 25 ? -10.197 4.398 0.140 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 1 +ATOM 362 C CB . VAL A 1 25 ? -12.946 2.447 0.702 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 1 +ATOM 363 C CG1 . VAL A 1 25 ? -11.859 1.691 1.433 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 1 +ATOM 364 C CG2 . VAL A 1 25 ? -14.243 2.388 1.486 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 1 +ATOM 365 H H . VAL A 1 25 ? -14.268 4.022 -0.764 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 1 +ATOM 366 H HA . VAL A 1 25 ? -12.416 4.435 1.366 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 1 +ATOM 367 H HB . VAL A 1 25 ? -13.117 1.972 -0.254 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 1 +ATOM 368 H HG11 . VAL A 1 25 ? -12.144 0.654 1.534 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 1 +ATOM 369 H HG12 . VAL A 1 25 ? -11.748 2.112 2.421 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 1 +ATOM 370 H HG13 . VAL A 1 25 ? -10.927 1.764 0.893 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 1 +ATOM 371 H HG21 . VAL A 1 25 ? -14.508 1.357 1.668 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 1 +ATOM 372 H HG22 . VAL A 1 25 ? -15.026 2.865 0.915 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 1 +ATOM 373 H HG23 . VAL A 1 25 ? -14.117 2.901 2.429 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 1 +ATOM 374 N N . ARG A 1 26 ? -11.305 3.555 -1.613 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 1 +ATOM 375 C CA . ARG A 1 26 ? -10.136 3.549 -2.451 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 1 +ATOM 376 C C . ARG A 1 26 ? -9.660 4.949 -2.767 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 1 +ATOM 377 O O . ARG A 1 26 ? -8.468 5.179 -2.897 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 1 +ATOM 378 C CB . ARG A 1 26 ? -10.282 2.701 -3.702 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 1 +ATOM 379 C CG . ARG A 1 26 ? -11.470 3.014 -4.579 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 1 +ATOM 380 C CD . ARG A 1 26 ? -11.195 2.497 -5.962 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 1 +ATOM 381 N NE . ARG A 1 26 ? -12.332 2.635 -6.884 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 1 +ATOM 382 C CZ . ARG A 1 26 ? -12.248 2.410 -8.208 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 1 +ATOM 383 N NH1 . ARG A 1 26 ? -11.070 2.146 -8.763 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 1 +ATOM 384 N NH2 . ARG A 1 26 ? -13.334 2.468 -8.974 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 1 +ATOM 385 H H . ARG A 1 26 ? -12.169 3.254 -1.973 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 1 +ATOM 386 H HA . ARG A 1 26 ? -9.362 3.114 -1.835 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 1 +ATOM 387 H HB2 . ARG A 1 26 ? -9.391 2.804 -4.302 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 1 +ATOM 388 H HB3 . ARG A 1 26 ? -10.365 1.669 -3.390 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 1 +ATOM 389 H HG2 . ARG A 1 26 ? -12.316 2.478 -4.170 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 1 +ATOM 390 H HG3 . ARG A 1 26 ? -11.698 4.071 -4.585 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 1 +ATOM 391 H HD2 . ARG A 1 26 ? -10.352 3.061 -6.336 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 1 +ATOM 392 H HD3 . ARG A 1 26 ? -10.915 1.455 -5.890 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 1 +ATOM 393 H HE . ARG A 1 26 ? -13.184 2.868 -6.461 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 1 +ATOM 394 H HH11 . ARG A 1 26 ? -10.222 2.113 -8.230 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 1 +ATOM 395 H HH12 . ARG A 1 26 ? -10.973 1.970 -9.748 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 1 +ATOM 396 H HH21 . ARG A 1 26 ? -14.248 2.677 -8.618 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 1 +ATOM 397 H HH22 . ARG A 1 26 ? -13.260 2.282 -9.959 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 1 +ATOM 398 N N . GLU A 1 27 ? -10.594 5.880 -2.919 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 1 +ATOM 399 C CA . GLU A 1 27 ? -10.256 7.279 -3.126 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 1 +ATOM 400 C C . GLU A 1 27 ? -9.402 7.809 -2.003 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 1 +ATOM 401 O O . GLU A 1 27 ? -8.368 8.407 -2.252 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 1 +ATOM 402 C CB . GLU A 1 27 ? -11.508 8.133 -3.294 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 1 +ATOM 403 C CG . GLU A 1 27 ? -12.076 8.118 -4.704 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 1 +ATOM 404 C CD . GLU A 1 27 ? -11.161 8.770 -5.726 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 1 +ATOM 405 O OE1 . GLU A 1 27 ? -10.267 8.078 -6.289 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 1 +ATOM 406 O OE2 . GLU A 1 27 ? -11.322 9.986 -5.995 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 1 +ATOM 407 H H . GLU A 1 27 ? -11.542 5.621 -2.915 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 1 +ATOM 408 H HA . GLU A 1 27 ? -9.679 7.338 -4.037 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 1 +ATOM 409 H HB2 . GLU A 1 27 ? -12.257 7.714 -2.637 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 1 +ATOM 410 H HB3 . GLU A 1 27 ? -11.322 9.147 -2.978 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 1 +ATOM 411 H HG2 . GLU A 1 27 ? -12.209 7.085 -4.994 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 1 +ATOM 412 H HG3 . GLU A 1 27 ? -13.028 8.624 -4.704 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 1 +ATOM 413 N N . GLN A 1 28 ? -9.789 7.534 -0.779 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 1 +ATOM 414 C CA . GLN A 1 28 ? -9.046 8.026 0.360 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 1 +ATOM 415 C C . GLN A 1 28 ? -7.706 7.332 0.500 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 1 +ATOM 416 O O . GLN A 1 28 ? -6.715 7.969 0.838 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 1 +ATOM 417 C CB . GLN A 1 28 ? -9.871 7.956 1.625 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 1 +ATOM 418 C CG . GLN A 1 28 ? -11.010 8.950 1.629 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 1 +ATOM 419 C CD . GLN A 1 28 ? -11.922 8.778 2.802 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 1 +ATOM 420 O OE1 . GLN A 1 28 ? -11.725 9.374 3.868 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 1 +ATOM 421 N NE2 . GLN A 1 28 ? -12.920 7.973 2.619 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 1 +ATOM 422 H H . GLN A 1 28 ? -10.581 6.972 -0.632 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 1 +ATOM 423 H HA . GLN A 1 28 ? -8.836 9.065 0.146 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 1 +ATOM 424 H HB2 . GLN A 1 28 ? -10.286 6.962 1.710 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 1 +ATOM 425 H HB3 . GLN A 1 28 ? -9.241 8.150 2.479 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 1 +ATOM 426 H HG2 . GLN A 1 28 ? -10.603 9.949 1.652 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 1 +ATOM 427 H HG3 . GLN A 1 28 ? -11.583 8.819 0.723 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 1 +ATOM 428 H HE21 . GLN A 1 28 ? -12.976 7.557 1.728 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 1 +ATOM 429 H HE22 . GLN A 1 28 ? -13.560 7.821 3.346 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 1 +ATOM 430 N N . LEU A 1 29 ? -7.666 6.042 0.202 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 1 +ATOM 431 C CA . LEU A 1 29 ? -6.408 5.307 0.204 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 1 +ATOM 432 C C . LEU A 1 29 ? -5.476 5.851 -0.865 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 1 +ATOM 433 O O . LEU A 1 29 ? -4.286 6.021 -0.627 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 1 +ATOM 434 C CB . LEU A 1 29 ? -6.634 3.812 0.001 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 1 +ATOM 435 C CG . LEU A 1 29 ? -7.276 3.061 1.176 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 1 +ATOM 436 C CD1 . LEU A 1 29 ? -7.546 1.626 0.800 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 1 +ATOM 437 C CD2 . LEU A 1 29 ? -6.373 3.111 2.403 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 1 +ATOM 438 H H . LEU A 1 29 ? -8.501 5.572 -0.010 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 1 +ATOM 439 H HA . LEU A 1 29 ? -5.942 5.469 1.164 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 1 +ATOM 440 H HB2 . LEU A 1 29 ? -7.259 3.707 -0.874 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 1 +ATOM 441 H HB3 . LEU A 1 29 ? -5.677 3.358 -0.213 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 1 +ATOM 442 H HG . LEU A 1 29 ? -8.223 3.514 1.432 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 1 +ATOM 443 H HD11 . LEU A 1 29 ? -8.010 1.116 1.630 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 1 +ATOM 444 H HD12 . LEU A 1 29 ? -6.613 1.139 0.551 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 1 +ATOM 445 H HD13 . LEU A 1 29 ? -8.205 1.597 -0.055 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 1 +ATOM 446 H HD21 . LEU A 1 29 ? -6.262 4.131 2.738 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 1 +ATOM 447 H HD22 . LEU A 1 29 ? -5.402 2.719 2.143 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 1 +ATOM 448 H HD23 . LEU A 1 29 ? -6.800 2.513 3.194 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 1 +ATOM 449 N N . LYS A 1 30 ? -6.036 6.150 -2.031 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 1 +ATOM 450 C CA . LYS A 1 30 ? -5.283 6.742 -3.124 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 1 +ATOM 451 C C . LYS A 1 30 ? -4.694 8.084 -2.701 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 1 +ATOM 452 O O . LYS A 1 30 ? -3.530 8.367 -2.955 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 1 +ATOM 453 C CB . LYS A 1 30 ? -6.203 6.967 -4.311 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 1 +ATOM 454 C CG . LYS A 1 30 ? -5.497 7.507 -5.536 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 1 +ATOM 455 C CD . LYS A 1 30 ? -6.480 7.940 -6.599 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 1 +ATOM 456 C CE . LYS A 1 30 ? -7.145 9.257 -6.225 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 1 +ATOM 457 N NZ . LYS A 1 30 ? -8.219 9.622 -7.170 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 1 +ATOM 458 H H . LYS A 1 30 ? -6.985 5.927 -2.184 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 1 +ATOM 459 H HA . LYS A 1 30 ? -4.489 6.072 -3.418 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 1 +ATOM 460 H HB2 . LYS A 1 30 ? -6.648 6.015 -4.562 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 1 +ATOM 461 H HB3 . LYS A 1 30 ? -6.994 7.638 -4.016 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 1 +ATOM 462 H HG2 . LYS A 1 30 ? -4.919 8.363 -5.221 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 1 +ATOM 463 H HG3 . LYS A 1 30 ? -4.840 6.747 -5.931 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 1 +ATOM 464 H HD2 . LYS A 1 30 ? -5.949 8.059 -7.531 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 1 +ATOM 465 H HD3 . LYS A 1 30 ? -7.237 7.179 -6.709 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 1 +ATOM 466 H HE2 . LYS A 1 30 ? -7.562 9.172 -5.233 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 1 +ATOM 467 H HE3 . LYS A 1 30 ? -6.394 10.036 -6.214 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 1 +ATOM 468 H HZ1 . LYS A 1 30 ? -9.050 9.005 -7.021 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 1 +ATOM 469 H HZ2 . LYS A 1 30 ? -7.905 9.523 -8.157 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 1 +ATOM 470 H HZ3 . LYS A 1 30 ? -8.514 10.608 -7.023 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 1 +ATOM 471 N N . LYS A 1 31 ? -5.504 8.887 -2.035 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 1 +ATOM 472 C CA . LYS A 1 31 ? -5.075 10.194 -1.546 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 1 +ATOM 473 C C . LYS A 1 31 ? -3.979 10.043 -0.508 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 1 +ATOM 474 O O . LYS A 1 31 ? -3.068 10.874 -0.433 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 1 +ATOM 475 C CB . LYS A 1 31 ? -6.249 10.965 -0.964 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 1 +ATOM 476 C CG . LYS A 1 31 ? -7.366 11.203 -1.954 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 1 +ATOM 477 C CD . LYS A 1 31 ? -8.545 11.865 -1.294 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 1 +ATOM 478 C CE . LYS A 1 31 ? -9.732 11.923 -2.223 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 1 +ATOM 479 N NZ . LYS A 1 31 ? -10.875 12.605 -1.602 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 1 +ATOM 480 H H . LYS A 1 31 ? -6.428 8.587 -1.892 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 1 +ATOM 481 H HA . LYS A 1 31 ? -4.678 10.741 -2.388 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 1 +ATOM 482 H HB2 . LYS A 1 31 ? -6.650 10.410 -0.128 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 1 +ATOM 483 H HB3 . LYS A 1 31 ? -5.897 11.924 -0.615 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 1 +ATOM 484 H HG2 . LYS A 1 31 ? -7.004 11.838 -2.748 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 1 +ATOM 485 H HG3 . LYS A 1 31 ? -7.676 10.252 -2.362 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 1 +ATOM 486 H HD2 . LYS A 1 31 ? -8.817 11.317 -0.405 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 1 +ATOM 487 H HD3 . LYS A 1 31 ? -8.260 12.873 -1.029 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 1 +ATOM 488 H HE2 . LYS A 1 31 ? -9.448 12.455 -3.119 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 1 +ATOM 489 H HE3 . LYS A 1 31 ? -10.020 10.915 -2.483 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 1 +ATOM 490 H HZ1 . LYS A 1 31 ? -11.694 12.609 -2.239 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 1 +ATOM 491 H HZ2 . LYS A 1 31 ? -10.645 13.601 -1.415 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 1 +ATOM 492 H HZ3 . LYS A 1 31 ? -11.166 12.151 -0.713 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 1 +ATOM 493 N N . LYS A 1 32 ? -4.077 8.988 0.293 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 1 +ATOM 494 C CA . LYS A 1 32 ? -3.057 8.658 1.261 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 1 +ATOM 495 C C . LYS A 1 32 ? -1.757 8.312 0.597 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 1 +ATOM 496 O O . LYS A 1 32 ? -0.700 8.705 1.070 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 1 +ATOM 497 C CB . LYS A 1 32 ? -3.505 7.557 2.223 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 1 +ATOM 498 C CG . LYS A 1 32 ? -4.563 7.996 3.222 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 1 +ATOM 499 C CD . LYS A 1 32 ? -4.022 9.110 4.088 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 1 +ATOM 500 C CE . LYS A 1 32 ? -5.016 9.585 5.112 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 1 +ATOM 501 N NZ . LYS A 1 32 ? -4.442 10.653 5.951 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 1 +ATOM 502 H H . LYS A 1 32 ? -4.883 8.429 0.262 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 1 +ATOM 503 H HA . LYS A 1 32 ? -2.864 9.552 1.821 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 1 +ATOM 504 H HB2 . LYS A 1 32 ? -3.901 6.731 1.651 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 1 +ATOM 505 H HB3 . LYS A 1 32 ? -2.639 7.220 2.772 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 1 +ATOM 506 H HG2 . LYS A 1 32 ? -5.430 8.353 2.684 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 1 +ATOM 507 H HG3 . LYS A 1 32 ? -4.837 7.160 3.847 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 1 +ATOM 508 H HD2 . LYS A 1 32 ? -3.127 8.777 4.590 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 1 +ATOM 509 H HD3 . LYS A 1 32 ? -3.783 9.937 3.437 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 1 +ATOM 510 H HE2 . LYS A 1 32 ? -5.891 9.964 4.605 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 1 +ATOM 511 H HE3 . LYS A 1 32 ? -5.293 8.752 5.743 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 1 +ATOM 512 H HZ1 . LYS A 1 32 ? -3.639 10.315 6.518 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 1 +ATOM 513 H HZ2 . LYS A 1 32 ? -5.154 11.052 6.598 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 1 +ATOM 514 H HZ3 . LYS A 1 32 ? -4.101 11.433 5.351 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 1 +ATOM 515 N N . LEU A 1 33 ? -1.841 7.602 -0.493 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 1 +ATOM 516 C CA . LEU A 1 33 ? -0.677 7.270 -1.279 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 1 +ATOM 517 C C . LEU A 1 33 ? -0.057 8.542 -1.832 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 1 +ATOM 518 O O . LEU A 1 33 ? 1.153 8.727 -1.790 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 1 +ATOM 519 C CB . LEU A 1 33 ? -1.061 6.336 -2.422 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 1 +ATOM 520 C CG . LEU A 1 33 ? -1.684 5.009 -2.011 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 1 +ATOM 521 C CD1 . LEU A 1 33 ? -2.063 4.198 -3.229 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 1 +ATOM 522 C CD2 . LEU A 1 33 ? -0.742 4.233 -1.104 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 1 +ATOM 523 H H . LEU A 1 33 ? -2.722 7.265 -0.766 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 1 +ATOM 524 H HA . LEU A 1 33 ? 0.034 6.771 -0.638 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 1 +ATOM 525 H HB2 . LEU A 1 33 ? -1.765 6.858 -3.055 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 1 +ATOM 526 H HB3 . LEU A 1 33 ? -0.172 6.128 -3.001 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 1 +ATOM 527 H HG . LEU A 1 33 ? -2.592 5.209 -1.460 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 1 +ATOM 528 H HD11 . LEU A 1 33 ? -1.184 4.017 -3.827 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 1 +ATOM 529 H HD12 . LEU A 1 33 ? -2.786 4.746 -3.815 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 1 +ATOM 530 H HD13 . LEU A 1 33 ? -2.490 3.256 -2.922 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 1 +ATOM 531 H HD21 . LEU A 1 33 ? -0.581 4.800 -0.198 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 1 +ATOM 532 H HD22 . LEU A 1 33 ? 0.203 4.081 -1.606 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 1 +ATOM 533 H HD23 . LEU A 1 33 ? -1.181 3.278 -0.859 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 1 +ATOM 534 N N . VAL A 1 34 ? -0.909 9.430 -2.309 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 1 +ATOM 535 C CA . VAL A 1 34 ? -0.472 10.691 -2.869 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 1 +ATOM 536 C C . VAL A 1 34 ? 0.228 11.571 -1.808 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 1 +ATOM 537 O O . VAL A 1 34 ? 1.312 12.112 -2.063 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 1 +ATOM 538 C CB . VAL A 1 34 ? -1.679 11.452 -3.512 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 1 +ATOM 539 C CG1 . VAL A 1 34 ? -1.285 12.846 -3.964 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 1 +ATOM 540 C CG2 . VAL A 1 34 ? -2.218 10.662 -4.690 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 1 +ATOM 541 H H . VAL A 1 34 ? -1.866 9.207 -2.287 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 1 +ATOM 542 H HA . VAL A 1 34 ? 0.240 10.468 -3.649 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 1 +ATOM 543 H HB . VAL A 1 34 ? -2.476 11.538 -2.786 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 1 +ATOM 544 H HG11 . VAL A 1 34 ? -0.489 12.780 -4.690 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 1 +ATOM 545 H HG12 . VAL A 1 34 ? -0.951 13.405 -3.102 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 1 +ATOM 546 H HG13 . VAL A 1 34 ? -2.143 13.335 -4.401 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 1 +ATOM 547 H HG21 . VAL A 1 34 ? -1.442 10.525 -5.428 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 1 +ATOM 548 H HG22 . VAL A 1 34 ? -3.054 11.188 -5.125 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 1 +ATOM 549 H HG23 . VAL A 1 34 ? -2.546 9.700 -4.323 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 1 +ATOM 550 N N . GLU A 1 35 ? -0.359 11.684 -0.624 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 1 +ATOM 551 C CA . GLU A 1 35 ? 0.258 12.465 0.442 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 1 +ATOM 552 C C . GLU A 1 35 ? 1.520 11.805 0.995 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 1 +ATOM 553 O O . GLU A 1 35 ? 2.512 12.474 1.243 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 1 +ATOM 554 C CB . GLU A 1 35 ? -0.734 12.841 1.559 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 1 +ATOM 555 C CG . GLU A 1 35 ? -1.409 11.667 2.224 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 1 +ATOM 556 C CD . GLU A 1 35 ? -2.359 12.063 3.327 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 1 +ATOM 557 O OE1 . GLU A 1 35 ? -3.429 12.624 3.032 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 1 +ATOM 558 O OE2 . GLU A 1 35 ? -2.059 11.796 4.515 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 1 +ATOM 559 H H . GLU A 1 35 ? -1.227 11.249 -0.466 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 1 +ATOM 560 H HA . GLU A 1 35 ? 0.586 13.374 -0.039 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 1 +ATOM 561 H HB2 . GLU A 1 35 ? -0.218 13.410 2.318 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 1 +ATOM 562 H HB3 . GLU A 1 35 ? -1.499 13.458 1.112 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 1 +ATOM 563 H HG2 . GLU A 1 35 ? -1.968 11.163 1.451 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 1 +ATOM 564 H HG3 . GLU A 1 35 ? -0.655 11.002 2.617 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 1 +ATOM 565 N N . VAL A 1 36 ? 1.488 10.481 1.131 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 1 +ATOM 566 C CA . VAL A 1 36 ? 2.596 9.739 1.705 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 1 +ATOM 567 C C . VAL A 1 36 ? 3.864 9.870 0.859 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 1 +ATOM 568 O O . VAL A 1 36 ? 4.941 9.832 1.378 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 1 +ATOM 569 C CB . VAL A 1 36 ? 2.268 8.247 2.038 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 1 +ATOM 570 C CG1 . VAL A 1 36 ? 2.363 7.322 0.832 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 1 +ATOM 571 C CG2 . VAL A 1 36 ? 3.115 7.754 3.199 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 1 +ATOM 572 H H . VAL A 1 36 ? 0.689 9.981 0.848 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 1 +ATOM 573 H HA . VAL A 1 36 ? 2.814 10.254 2.631 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 1 +ATOM 574 H HB . VAL A 1 36 ? 1.236 8.226 2.358 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 1 +ATOM 575 H HG11 . VAL A 1 36 ? 1.704 7.682 0.055 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 1 +ATOM 576 H HG12 . VAL A 1 36 ? 2.070 6.323 1.118 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 1 +ATOM 577 H HG13 . VAL A 1 36 ? 3.378 7.309 0.465 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 1 +ATOM 578 H HG21 . VAL A 1 36 ? 2.884 8.333 4.080 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 1 +ATOM 579 H HG22 . VAL A 1 36 ? 4.160 7.881 2.960 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 1 +ATOM 580 H HG23 . VAL A 1 36 ? 2.906 6.711 3.387 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 1 +ATOM 581 N N . LEU A 1 37 ? 3.703 10.046 -0.454 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 1 +ATOM 582 C CA . LEU A 1 37 ? 4.828 10.172 -1.398 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 1 +ATOM 583 C C . LEU A 1 37 ? 5.849 11.256 -1.016 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 1 +ATOM 584 O O . LEU A 1 37 ? 7.000 11.176 -1.451 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 1 +ATOM 585 C CB . LEU A 1 37 ? 4.337 10.395 -2.836 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 1 +ATOM 586 C CG . LEU A 1 37 ? 3.633 9.210 -3.507 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 1 +ATOM 587 C CD1 . LEU A 1 37 ? 3.132 9.594 -4.887 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 1 +ATOM 588 C CD2 . LEU A 1 37 ? 4.574 8.014 -3.602 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 1 +ATOM 589 H H . LEU A 1 37 ? 2.790 10.063 -0.809 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 1 +ATOM 590 H HA . LEU A 1 37 ? 5.361 9.234 -1.376 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 1 +ATOM 591 H HB2 . LEU A 1 37 ? 3.651 11.230 -2.828 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 1 +ATOM 592 H HB3 . LEU A 1 37 ? 5.190 10.665 -3.442 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 1 +ATOM 593 H HG . LEU A 1 37 ? 2.780 8.921 -2.911 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 1 +ATOM 594 H HD11 . LEU A 1 37 ? 2.437 10.417 -4.805 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 1 +ATOM 595 H HD12 . LEU A 1 37 ? 2.633 8.748 -5.337 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 1 +ATOM 596 H HD13 . LEU A 1 37 ? 3.970 9.888 -5.504 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 1 +ATOM 597 H HD21 . LEU A 1 37 ? 4.086 7.208 -4.130 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 1 +ATOM 598 H HD22 . LEU A 1 37 ? 4.836 7.676 -2.611 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 1 +ATOM 599 H HD23 . LEU A 1 37 ? 5.469 8.300 -4.134 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 1 +ATOM 600 N N . GLU A 1 38 ? 5.436 12.275 -0.239 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 1 +ATOM 601 C CA . GLU A 1 38 ? 6.380 13.316 0.207 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 1 +ATOM 602 C C . GLU A 1 38 ? 7.439 12.720 1.164 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 1 +ATOM 603 O O . GLU A 1 38 ? 8.559 13.222 1.267 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 1 +ATOM 604 C CB . GLU A 1 38 ? 5.663 14.490 0.901 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 1 +ATOM 605 C CG . GLU A 1 38 ? 4.966 14.124 2.204 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 1 +ATOM 606 C CD . GLU A 1 38 ? 4.438 15.321 2.944 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 1 +ATOM 607 O OE1 . GLU A 1 38 ? 5.211 15.951 3.701 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 1 +ATOM 608 O OE2 . GLU A 1 38 ? 3.247 15.652 2.810 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 1 +ATOM 609 H H . GLU A 1 38 ? 4.497 12.311 0.051 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 1 +ATOM 610 H HA . GLU A 1 38 ? 6.891 13.680 -0.673 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 1 +ATOM 611 H HB2 . GLU A 1 38 ? 6.388 15.261 1.117 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 1 +ATOM 612 H HB3 . GLU A 1 38 ? 4.923 14.888 0.224 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 1 +ATOM 613 H HG2 . GLU A 1 38 ? 4.138 13.467 1.985 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 1 +ATOM 614 H HG3 . GLU A 1 38 ? 5.672 13.607 2.838 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 1 +ATOM 615 N N . SER A 1 39 ? 7.071 11.665 1.851 1.00 0.00 ? ? ? ? ? ? 36 SER A N 1 +ATOM 616 C CA . SER A 1 39 ? 7.936 10.983 2.770 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 1 +ATOM 617 C C . SER A 1 39 ? 7.360 9.583 2.974 1.00 0.00 ? ? ? ? ? ? 36 SER A C 1 +ATOM 618 O O . SER A 1 39 ? 6.643 9.341 3.912 1.00 0.00 ? ? ? ? ? ? 36 SER A O 1 +ATOM 619 C CB . SER A 1 39 ? 8.024 11.760 4.114 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 1 +ATOM 620 O OG . SER A 1 39 ? 9.063 11.264 4.971 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 1 +ATOM 621 H H . SER A 1 39 ? 6.168 11.291 1.724 1.00 0.00 ? ? ? ? ? ? 36 SER A H 1 +ATOM 622 H HA . SER A 1 39 ? 8.917 10.889 2.333 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 1 +ATOM 623 H HB2 . SER A 1 39 ? 8.223 12.801 3.909 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 1 +ATOM 624 H HB3 . SER A 1 39 ? 7.079 11.675 4.630 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 1 +ATOM 625 H HG . SER A 1 39 ? 9.900 11.588 4.623 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 1 +ATOM 626 N N . PRO A 1 40 ? 7.573 8.662 2.009 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 1 +ATOM 627 C CA . PRO A 1 40 ? 6.995 7.318 2.078 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 1 +ATOM 628 C C . PRO A 1 40 ? 7.560 6.492 3.223 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 1 +ATOM 629 O O . PRO A 1 40 ? 6.898 5.596 3.747 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 1 +ATOM 630 C CB . PRO A 1 40 ? 7.349 6.704 0.723 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 1 +ATOM 631 C CG . PRO A 1 40 ? 8.533 7.470 0.268 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 1 +ATOM 632 C CD . PRO A 1 40 ? 8.319 8.868 0.759 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 1 +ATOM 633 H HA . PRO A 1 40 ? 5.922 7.365 2.183 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 1 +ATOM 634 H HB2 . PRO A 1 40 ? 7.573 5.655 0.843 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 1 +ATOM 635 H HB3 . PRO A 1 40 ? 6.518 6.829 0.043 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 1 +ATOM 636 H HG2 . PRO A 1 40 ? 9.428 7.050 0.704 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 1 +ATOM 637 H HG3 . PRO A 1 40 ? 8.595 7.454 -0.810 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 1 +ATOM 638 H HD2 . PRO A 1 40 ? 9.260 9.364 0.936 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 1 +ATOM 639 H HD3 . PRO A 1 40 ? 7.715 9.426 0.054 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 1 +ATOM 640 N N . ARG A 1 41 ? 8.760 6.823 3.634 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 1 +ATOM 641 C CA . ARG A 1 41 ? 9.419 6.118 4.695 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 1 +ATOM 642 C C . ARG A 1 41 ? 9.077 6.667 6.087 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 1 +ATOM 643 O O . ARG A 1 41 ? 9.923 7.161 6.821 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 1 +ATOM 644 C CB . ARG A 1 41 ? 10.936 5.931 4.417 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 1 +ATOM 645 C CG . ARG A 1 41 ? 11.679 7.153 3.862 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 1 +ATOM 646 C CD . ARG A 1 41 ? 11.901 8.247 4.889 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 1 +ATOM 647 N NE . ARG A 1 41 ? 12.620 9.384 4.316 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 1 +ATOM 648 C CZ . ARG A 1 41 ? 13.571 10.093 4.937 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 1 +ATOM 649 N NH1 . ARG A 1 41 ? 13.942 9.779 6.180 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 1 +ATOM 650 N NH2 . ARG A 1 41 ? 14.161 11.102 4.298 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 1 +ATOM 651 H H . ARG A 1 41 ? 9.196 7.590 3.209 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 1 +ATOM 652 H HA . ARG A 1 41 ? 8.958 5.140 4.671 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 1 +ATOM 653 H HB2 . ARG A 1 41 ? 11.415 5.654 5.344 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 1 +ATOM 654 H HB3 . ARG A 1 41 ? 11.055 5.116 3.718 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 1 +ATOM 655 H HG2 . ARG A 1 41 ? 12.637 6.840 3.479 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 1 +ATOM 656 H HG3 . ARG A 1 41 ? 11.097 7.555 3.046 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 1 +ATOM 657 H HD2 . ARG A 1 41 ? 10.943 8.582 5.257 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 1 +ATOM 658 H HD3 . ARG A 1 41 ? 12.481 7.838 5.701 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 1 +ATOM 659 H HE . ARG A 1 41 ? 12.363 9.592 3.389 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 1 +ATOM 660 H HH11 . ARG A 1 41 ? 13.523 9.016 6.680 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 1 +ATOM 661 H HH12 . ARG A 1 41 ? 14.672 10.260 6.677 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 1 +ATOM 662 H HH21 . ARG A 1 41 ? 13.897 11.345 3.359 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 1 +ATOM 663 H HH22 . ARG A 1 41 ? 14.908 11.648 4.687 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 1 +ATOM 664 N N . ILE A 1 42 ? 7.807 6.608 6.407 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 1 +ATOM 665 C CA . ILE A 1 42 ? 7.310 7.043 7.694 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 1 +ATOM 666 C C . ILE A 1 42 ? 7.328 5.882 8.664 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 1 +ATOM 667 O O . ILE A 1 42 ? 6.611 4.890 8.479 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 1 +ATOM 668 C CB . ILE A 1 42 ? 5.875 7.651 7.589 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 1 +ATOM 669 C CG1 . ILE A 1 42 ? 5.934 8.930 6.762 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 1 +ATOM 670 C CG2 . ILE A 1 42 ? 5.278 7.935 8.974 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 1 +ATOM 671 C CD1 . ILE A 1 42 ? 4.598 9.571 6.474 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 1 +ATOM 672 H H . ILE A 1 42 ? 7.192 6.248 5.732 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 1 +ATOM 673 H HA . ILE A 1 42 ? 7.986 7.803 8.057 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 1 +ATOM 674 H HB . ILE A 1 42 ? 5.240 6.942 7.082 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 1 +ATOM 675 H HG12 . ILE A 1 42 ? 6.528 9.658 7.294 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 1 +ATOM 676 H HG13 . ILE A 1 42 ? 6.412 8.714 5.818 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 1 +ATOM 677 H HG21 . ILE A 1 42 ? 5.222 7.012 9.533 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 1 +ATOM 678 H HG22 . ILE A 1 42 ? 4.287 8.348 8.861 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 1 +ATOM 679 H HG23 . ILE A 1 42 ? 5.900 8.640 9.503 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 1 +ATOM 680 H HD11 . ILE A 1 42 ? 4.770 10.441 5.855 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 1 +ATOM 681 H HD12 . ILE A 1 42 ? 4.127 9.865 7.401 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 1 +ATOM 682 H HD13 . ILE A 1 42 ? 3.967 8.873 5.944 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 1 +ATOM 683 N N . GLU A 1 43 ? 8.136 6.016 9.695 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 1 +ATOM 684 C CA . GLU A 1 43 ? 8.321 4.992 10.718 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 1 +ATOM 685 C C . GLU A 1 43 ? 6.999 4.572 11.374 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 1 +ATOM 686 O O . GLU A 1 43 ? 6.833 3.419 11.752 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 1 +ATOM 687 C CB . GLU A 1 43 ? 9.297 5.486 11.777 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 1 +ATOM 688 C CG . GLU A 1 43 ? 8.871 6.771 12.464 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 1 +ATOM 689 C CD . GLU A 1 43 ? 9.801 7.146 13.562 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 1 +ATOM 690 O OE1 . GLU A 1 43 ? 9.718 6.544 14.653 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 1 +ATOM 691 O OE2 . GLU A 1 43 ? 10.646 8.034 13.363 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 1 +ATOM 692 H H . GLU A 1 43 ? 8.665 6.842 9.771 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 1 +ATOM 693 H HA . GLU A 1 43 ? 8.756 4.128 10.237 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 1 +ATOM 694 H HB2 . GLU A 1 43 ? 9.408 4.726 12.536 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 1 +ATOM 695 H HB3 . GLU A 1 43 ? 10.256 5.657 11.311 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 1 +ATOM 696 H HG2 . GLU A 1 43 ? 8.856 7.568 11.734 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 1 +ATOM 697 H HG3 . GLU A 1 43 ? 7.879 6.642 12.871 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 1 +ATOM 698 N N . ALA A 1 44 ? 6.059 5.503 11.455 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 1 +ATOM 699 C CA . ALA A 1 44 ? 4.759 5.260 12.072 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 1 +ATOM 700 C C . ALA A 1 44 ? 3.873 4.387 11.189 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 1 +ATOM 701 O O . ALA A 1 44 ? 2.903 3.806 11.651 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 1 +ATOM 702 C CB . ALA A 1 44 ? 4.068 6.579 12.371 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 1 +ATOM 703 H H . ALA A 1 44 ? 6.269 6.388 11.094 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 1 +ATOM 704 H HA . ALA A 1 44 ? 4.930 4.748 13.008 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 1 +ATOM 705 H HB1 . ALA A 1 44 ? 3.865 7.095 11.444 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 1 +ATOM 706 H HB2 . ALA A 1 44 ? 4.711 7.188 12.988 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 1 +ATOM 707 H HB3 . ALA A 1 44 ? 3.140 6.390 12.890 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 1 +ATOM 708 N N . ASN A 1 45 ? 4.208 4.299 9.921 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 1 +ATOM 709 C CA . ASN A 1 45 ? 3.435 3.482 8.997 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 1 +ATOM 710 C C . ASN A 1 45 ? 4.160 2.191 8.715 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 1 +ATOM 711 O O . ASN A 1 45 ? 3.572 1.246 8.221 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 1 +ATOM 712 C CB . ASN A 1 45 ? 3.171 4.213 7.661 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 1 +ATOM 713 C CG . ASN A 1 45 ? 2.296 5.446 7.786 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 1 +ATOM 714 O OD1 . ASN A 1 45 ? 1.436 5.534 8.660 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 1 +ATOM 715 N ND2 . ASN A 1 45 ? 2.501 6.404 6.911 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 1 +ATOM 716 H H . ASN A 1 45 ? 5.000 4.775 9.591 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 1 +ATOM 717 H HA . ASN A 1 45 ? 2.488 3.258 9.464 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 1 +ATOM 718 H HB2 . ASN A 1 45 ? 4.114 4.524 7.240 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 1 +ATOM 719 H HB3 . ASN A 1 45 ? 2.694 3.524 6.977 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 1 +ATOM 720 H HD21 . ASN A 1 45 ? 3.191 6.280 6.225 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 1 +ATOM 721 H HD22 . ASN A 1 45 ? 1.949 7.212 6.976 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 1 +ATOM 722 N N . LYS A 1 46 ? 5.441 2.158 9.047 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 1 +ATOM 723 C CA . LYS A 1 46 ? 6.310 1.055 8.751 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 1 +ATOM 724 C C . LYS A 1 46 ? 5.883 -0.231 9.452 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 1 +ATOM 725 O O . LYS A 1 46 ? 5.309 -0.209 10.546 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 1 +ATOM 726 C CB . LYS A 1 46 ? 7.736 1.409 9.185 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 1 +ATOM 727 C CG . LYS A 1 46 ? 8.797 0.740 8.354 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 1 +ATOM 728 C CD . LYS A 1 46 ? 10.197 0.925 8.935 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 1 +ATOM 729 C CE . LYS A 1 46 ? 11.284 0.398 7.989 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 1 +ATOM 730 N NZ . LYS A 1 46 ? 11.506 1.294 6.827 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 1 +ATOM 731 H H . LYS A 1 46 ? 5.870 2.907 9.504 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 1 +ATOM 732 H HA . LYS A 1 46 ? 6.326 0.903 7.682 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 1 +ATOM 733 H HB2 . LYS A 1 46 ? 7.867 2.478 9.107 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 1 +ATOM 734 H HB3 . LYS A 1 46 ? 7.869 1.112 10.215 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 1 +ATOM 735 H HG2 . LYS A 1 46 ? 8.548 -0.307 8.272 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 1 +ATOM 736 H HG3 . LYS A 1 46 ? 8.727 1.222 7.391 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 1 +ATOM 737 H HD2 . LYS A 1 46 ? 10.370 1.977 9.110 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 1 +ATOM 738 H HD3 . LYS A 1 46 ? 10.260 0.390 9.872 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 1 +ATOM 739 H HE2 . LYS A 1 46 ? 12.211 0.304 8.534 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 1 +ATOM 740 H HE3 . LYS A 1 46 ? 10.985 -0.575 7.626 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 1 +ATOM 741 H HZ1 . LYS A 1 46 ? 11.976 2.174 7.126 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 1 +ATOM 742 H HZ2 . LYS A 1 46 ? 10.624 1.609 6.370 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 1 +ATOM 743 H HZ3 . LYS A 1 46 ? 12.103 0.863 6.088 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 1 +ATOM 744 N N . LEU A 1 47 ? 6.104 -1.318 8.778 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 1 +ATOM 745 C CA . LEU A 1 47 ? 5.974 -2.633 9.329 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 1 +ATOM 746 C C . LEU A 1 47 ? 7.358 -3.050 9.740 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 1 +ATOM 747 O O . LEU A 1 47 ? 8.274 -3.044 8.916 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 1 +ATOM 748 C CB . LEU A 1 47 ? 5.445 -3.613 8.282 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 1 +ATOM 749 C CG . LEU A 1 47 ? 4.001 -3.434 7.836 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 1 +ATOM 750 C CD1 . LEU A 1 47 ? 3.704 -4.361 6.697 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 1 +ATOM 751 C CD2 . LEU A 1 47 ? 3.063 -3.748 8.968 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 1 +ATOM 752 H H . LEU A 1 47 ? 6.386 -1.248 7.837 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 1 +ATOM 753 H HA . LEU A 1 47 ? 5.309 -2.597 10.179 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 1 +ATOM 754 H HB2 . LEU A 1 47 ? 6.070 -3.519 7.407 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 1 +ATOM 755 H HB3 . LEU A 1 47 ? 5.558 -4.613 8.672 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 1 +ATOM 756 H HG . LEU A 1 47 ? 3.827 -2.417 7.521 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 1 +ATOM 757 H HD11 . LEU A 1 47 ? 4.355 -4.129 5.868 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 1 +ATOM 758 H HD12 . LEU A 1 47 ? 2.671 -4.231 6.412 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 1 +ATOM 759 H HD13 . LEU A 1 47 ? 3.874 -5.375 7.026 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 1 +ATOM 760 H HD21 . LEU A 1 47 ? 3.242 -4.758 9.308 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 1 +ATOM 761 H HD22 . LEU A 1 47 ? 2.055 -3.676 8.589 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 1 +ATOM 762 H HD23 . LEU A 1 47 ? 3.214 -3.051 9.778 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 1 +ATOM 763 N N . ARG A 1 48 ? 7.527 -3.396 10.972 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 1 +ATOM 764 C CA . ARG A 1 48 ? 8.840 -3.713 11.463 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 1 +ATOM 765 C C . ARG A 1 48 ? 9.109 -5.186 11.205 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 1 +ATOM 766 O O . ARG A 1 48 ? 8.261 -6.026 11.474 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 1 +ATOM 767 C CB . ARG A 1 48 ? 8.967 -3.383 12.952 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 1 +ATOM 768 C CG . ARG A 1 48 ? 10.405 -3.179 13.412 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 1 +ATOM 769 C CD . ARG A 1 48 ? 11.002 -1.925 12.771 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 1 +ATOM 770 N NE . ARG A 1 48 ? 12.391 -1.688 13.170 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 1 +ATOM 771 C CZ . ARG A 1 48 ? 13.015 -0.495 13.106 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 1 +ATOM 772 N NH1 . ARG A 1 48 ? 12.357 0.593 12.703 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 1 +ATOM 773 N NH2 . ARG A 1 48 ? 14.285 -0.399 13.457 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 1 +ATOM 774 H H . ARG A 1 48 ? 6.734 -3.495 11.539 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 1 +ATOM 775 H HA . ARG A 1 48 ? 9.544 -3.124 10.898 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 1 +ATOM 776 H HB2 . ARG A 1 48 ? 8.412 -2.480 13.158 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 1 +ATOM 777 H HB3 . ARG A 1 48 ? 8.541 -4.193 13.525 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 1 +ATOM 778 H HG2 . ARG A 1 48 ? 10.421 -3.066 14.486 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 1 +ATOM 779 H HG3 . ARG A 1 48 ? 10.996 -4.036 13.126 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 1 +ATOM 780 H HD2 . ARG A 1 48 ? 10.978 -2.024 11.696 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 1 +ATOM 781 H HD3 . ARG A 1 48 ? 10.407 -1.074 13.065 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 1 +ATOM 782 H HE . ARG A 1 48 ? 12.872 -2.487 13.480 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 1 +ATOM 783 H HH11 . ARG A 1 48 ? 11.389 0.571 12.439 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 1 +ATOM 784 H HH12 . ARG A 1 48 ? 12.787 1.497 12.643 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 1 +ATOM 785 H HH21 . ARG A 1 48 ? 14.813 -1.189 13.776 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 1 +ATOM 786 H HH22 . ARG A 1 48 ? 14.783 0.472 13.430 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 1 +ATOM 787 N N . GLY A 1 49 ? 10.247 -5.480 10.636 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 1 +ATOM 788 C CA . GLY A 1 49 ? 10.580 -6.844 10.276 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 1 +ATOM 789 C C . GLY A 1 49 ? 10.477 -7.001 8.788 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 1 +ATOM 790 O O . GLY A 1 49 ? 11.245 -7.725 8.155 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 1 +ATOM 791 H H . GLY A 1 49 ? 10.880 -4.760 10.430 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 1 +ATOM 792 H HA2 . GLY A 1 49 ? 11.589 -7.062 10.590 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 1 +ATOM 793 H HA3 . GLY A 1 49 ? 9.893 -7.527 10.751 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 1 +ATOM 794 N N . MET A 1 50 ? 9.538 -6.284 8.235 1.00 0.00 ? ? ? ? ? ? 47 MET A N 1 +ATOM 795 C CA . MET A 1 50 ? 9.339 -6.221 6.815 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 1 +ATOM 796 C C . MET A 1 50 ? 10.259 -5.130 6.304 1.00 0.00 ? ? ? ? ? ? 47 MET A C 1 +ATOM 797 O O . MET A 1 50 ? 10.185 -4.011 6.814 1.00 0.00 ? ? ? ? ? ? 47 MET A O 1 +ATOM 798 C CB . MET A 1 50 ? 7.884 -5.863 6.508 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 1 +ATOM 799 C CG . MET A 1 50 ? 6.861 -6.885 6.993 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 1 +ATOM 800 S SD . MET A 1 50 ? 6.948 -8.463 6.112 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 1 +ATOM 801 C CE . MET A 1 50 ? 6.463 -7.961 4.458 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 1 +ATOM 802 H H . MET A 1 50 ? 8.969 -5.750 8.825 1.00 0.00 ? ? ? ? ? ? 47 MET A H 1 +ATOM 803 H HA . MET A 1 50 ? 9.590 -7.180 6.387 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 1 +ATOM 804 H HB2 . MET A 1 50 ? 7.663 -4.920 6.982 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 1 +ATOM 805 H HB3 . MET A 1 50 ? 7.774 -5.748 5.440 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 1 +ATOM 806 H HG2 . MET A 1 50 ? 7.030 -7.066 8.043 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 1 +ATOM 807 H HG3 . MET A 1 50 ? 5.872 -6.469 6.861 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 1 +ATOM 808 H HE1 . MET A 1 50 ? 5.476 -7.521 4.489 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 1 +ATOM 809 H HE2 . MET A 1 50 ? 6.437 -8.823 3.808 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 1 +ATOM 810 H HE3 . MET A 1 50 ? 7.163 -7.240 4.063 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 1 +ATOM 811 N N . PRO A 1 51 ? 11.138 -5.442 5.305 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 1 +ATOM 812 C CA . PRO A 1 51 ? 12.184 -4.536 4.792 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 1 +ATOM 813 C C . PRO A 1 51 ? 11.772 -3.071 4.756 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 1 +ATOM 814 O O . PRO A 1 51 ? 12.283 -2.253 5.521 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 1 +ATOM 815 C CB . PRO A 1 51 ? 12.459 -5.047 3.378 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 1 +ATOM 816 C CG . PRO A 1 51 ? 11.766 -6.369 3.258 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 1 +ATOM 817 C CD . PRO A 1 51 ? 11.177 -6.721 4.598 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 1 +ATOM 818 H HA . PRO A 1 51 ? 13.084 -4.618 5.380 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 1 +ATOM 819 H HB2 . PRO A 1 51 ? 12.073 -4.337 2.662 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 1 +ATOM 820 H HB3 . PRO A 1 51 ? 13.524 -5.151 3.235 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 1 +ATOM 821 H HG2 . PRO A 1 51 ? 10.978 -6.295 2.523 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 1 +ATOM 822 H HG3 . PRO A 1 51 ? 12.483 -7.120 2.956 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 1 +ATOM 823 H HD2 . PRO A 1 51 ? 10.181 -7.114 4.458 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 1 +ATOM 824 H HD3 . PRO A 1 51 ? 11.805 -7.433 5.113 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 1 +ATOM 825 N N . ASP A 1 52 ? 10.826 -2.760 3.921 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 1 +ATOM 826 C CA . ASP A 1 52 ? 10.318 -1.414 3.830 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 1 +ATOM 827 C C . ASP A 1 52 ? 8.878 -1.460 3.437 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 1 +ATOM 828 O O . ASP A 1 52 ? 8.473 -0.898 2.428 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 1 +ATOM 829 C CB . ASP A 1 52 ? 11.128 -0.558 2.845 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 1 +ATOM 830 C CG . ASP A 1 52 ? 11.706 0.683 3.508 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 1 +ATOM 831 O OD1 . ASP A 1 52 ? 12.605 0.542 4.375 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 1 +ATOM 832 O OD2 . ASP A 1 52 ? 11.314 1.819 3.169 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 1 +ATOM 833 H H . ASP A 1 52 ? 10.449 -3.460 3.349 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 1 +ATOM 834 H HA . ASP A 1 52 ? 10.389 -0.978 4.815 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 1 +ATOM 835 H HB2 . ASP A 1 52 ? 11.931 -1.151 2.432 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 1 +ATOM 836 H HB3 . ASP A 1 52 ? 10.477 -0.245 2.042 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 1 +ATOM 837 N N . CYS A 1 53 ? 8.108 -2.176 4.210 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 1 +ATOM 838 C CA . CYS A 1 53 ? 6.699 -2.277 3.964 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 1 +ATOM 839 C C . CYS A 1 53 ? 5.976 -1.402 4.964 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 1 +ATOM 840 O O . CYS A 1 53 ? 6.411 -1.281 6.107 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 1 +ATOM 841 C CB . CYS A 1 53 ? 6.262 -3.728 4.066 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 1 +ATOM 842 S SG . CYS A 1 53 ? 7.202 -4.831 2.979 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 1 +ATOM 843 H H . CYS A 1 53 ? 8.484 -2.633 4.991 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 1 +ATOM 844 H HA . CYS A 1 53 ? 6.502 -1.907 2.969 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 1 +ATOM 845 H HB2 . CYS A 1 53 ? 6.393 -4.067 5.082 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 1 +ATOM 846 H HB3 . CYS A 1 53 ? 5.220 -3.803 3.791 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 1 +ATOM 847 H HG . CYS A 1 53 ? 7.358 -4.181 1.835 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 1 +ATOM 848 N N . TYR A 1 54 ? 4.930 -0.762 4.528 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 1 +ATOM 849 C CA . TYR A 1 54 ? 4.200 0.188 5.339 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 1 +ATOM 850 C C . TYR A 1 54 ? 2.727 -0.072 5.180 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 1 +ATOM 851 O O . TYR A 1 54 ? 2.299 -0.588 4.137 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 1 +ATOM 852 C CB . TYR A 1 54 ? 4.512 1.640 4.884 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 1 +ATOM 853 C CG . TYR A 1 54 ? 5.979 2.035 4.958 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 1 +ATOM 854 C CD1 . TYR A 1 54 ? 6.898 1.521 4.065 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 1 +ATOM 855 C CD2 . TYR A 1 54 ? 6.445 2.879 5.937 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 1 +ATOM 856 C CE1 . TYR A 1 54 ? 8.223 1.830 4.146 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 1 +ATOM 857 C CE2 . TYR A 1 54 ? 7.785 3.187 6.027 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 1 +ATOM 858 C CZ . TYR A 1 54 ? 8.663 2.655 5.122 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 1 +ATOM 859 O OH . TYR A 1 54 ? 10.001 2.916 5.228 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 1 +ATOM 860 H H . TYR A 1 54 ? 4.617 -0.919 3.607 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 1 +ATOM 861 H HA . TYR A 1 54 ? 4.489 0.073 6.373 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 1 +ATOM 862 H HB2 . TYR A 1 54 ? 4.196 1.761 3.858 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 1 +ATOM 863 H HB3 . TYR A 1 54 ? 3.950 2.326 5.502 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 1 +ATOM 864 H HD1 . TYR A 1 54 ? 6.549 0.861 3.285 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 1 +ATOM 865 H HD2 . TYR A 1 54 ? 5.750 3.294 6.650 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 1 +ATOM 866 H HE1 . TYR A 1 54 ? 8.920 1.412 3.435 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 1 +ATOM 867 H HE2 . TYR A 1 54 ? 8.134 3.854 6.802 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 1 +ATOM 868 H HH . TYR A 1 54 ? 10.405 2.842 4.345 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 1 +ATOM 869 N N . LYS A 1 55 ? 1.958 0.257 6.188 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 1 +ATOM 870 C CA . LYS A 1 55 ? 0.536 0.079 6.123 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 1 +ATOM 871 C C . LYS A 1 55 ? -0.169 1.391 6.425 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 1 +ATOM 872 O O . LYS A 1 55 ? 0.260 2.163 7.300 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 1 +ATOM 873 C CB . LYS A 1 55 ? 0.015 -1.044 7.085 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 1 +ATOM 874 C CG . LYS A 1 55 ? 0.030 -0.736 8.606 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 1 +ATOM 875 C CD . LYS A 1 55 ? 1.427 -0.708 9.221 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 1 +ATOM 876 C CE . LYS A 1 55 ? 1.369 -0.353 10.703 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 1 +ATOM 877 N NZ . LYS A 1 55 ? 2.692 -0.441 11.384 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 1 +ATOM 878 H H . LYS A 1 55 ? 2.365 0.662 6.987 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 1 +ATOM 879 H HA . LYS A 1 55 ? 0.300 -0.201 5.107 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 1 +ATOM 880 H HB2 . LYS A 1 55 ? -1.005 -1.268 6.816 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 1 +ATOM 881 H HB3 . LYS A 1 55 ? 0.611 -1.929 6.916 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 1 +ATOM 882 H HG2 . LYS A 1 55 ? -0.424 0.231 8.766 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 1 +ATOM 883 H HG3 . LYS A 1 55 ? -0.563 -1.486 9.110 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 1 +ATOM 884 H HD2 . LYS A 1 55 ? 1.879 -1.680 9.108 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 1 +ATOM 885 H HD3 . LYS A 1 55 ? 2.025 0.029 8.707 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 1 +ATOM 886 H HE2 . LYS A 1 55 ? 1.014 0.662 10.774 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 1 +ATOM 887 H HE3 . LYS A 1 55 ? 0.667 -1.012 11.193 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 1 +ATOM 888 H HZ1 . LYS A 1 55 ? 2.610 -0.094 12.363 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 1 +ATOM 889 H HZ2 . LYS A 1 55 ? 3.454 0.087 10.911 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 1 +ATOM 890 H HZ3 . LYS A 1 55 ? 3.009 -1.428 11.453 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 1 +ATOM 891 N N . ILE A 1 56 ? -1.210 1.653 5.700 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 1 +ATOM 892 C CA . ILE A 1 56 ? -2.044 2.804 5.931 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 1 +ATOM 893 C C . ILE A 1 56 ? -3.458 2.320 6.160 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 1 +ATOM 894 O O . ILE A 1 56 ? -3.939 1.450 5.435 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 1 +ATOM 895 C CB . ILE A 1 56 ? -2.008 3.826 4.743 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 1 +ATOM 896 C CG1 . ILE A 1 56 ? -0.581 4.380 4.551 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 1 +ATOM 897 C CG2 . ILE A 1 56 ? -2.997 4.973 4.985 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 1 +ATOM 898 C CD1 . ILE A 1 56 ? -0.443 5.387 3.421 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 1 +ATOM 899 H H . ILE A 1 56 ? -1.433 1.040 4.963 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 1 +ATOM 900 H HA . ILE A 1 56 ? -1.694 3.287 6.831 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 1 +ATOM 901 H HB . ILE A 1 56 ? -2.308 3.309 3.843 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 1 +ATOM 902 H HG12 . ILE A 1 56 ? -0.276 4.876 5.459 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 1 +ATOM 903 H HG13 . ILE A 1 56 ? 0.091 3.558 4.355 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 1 +ATOM 904 H HG21 . ILE A 1 56 ? -2.964 5.659 4.151 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 1 +ATOM 905 H HG22 . ILE A 1 56 ? -2.727 5.496 5.890 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 1 +ATOM 906 H HG23 . ILE A 1 56 ? -3.995 4.573 5.086 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 1 +ATOM 907 H HD11 . ILE A 1 56 ? 0.592 5.682 3.326 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 1 +ATOM 908 H HD12 . ILE A 1 56 ? -1.038 6.258 3.651 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 1 +ATOM 909 H HD13 . ILE A 1 56 ? -0.785 4.950 2.495 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 1 +ATOM 910 N N . LYS A 1 57 ? -4.089 2.826 7.186 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 1 +ATOM 911 C CA . LYS A 1 57 ? -5.443 2.452 7.505 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 1 +ATOM 912 C C . LYS A 1 57 ? -6.412 3.613 7.325 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 1 +ATOM 913 O O . LYS A 1 57 ? -6.026 4.792 7.438 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 1 +ATOM 914 C CB . LYS A 1 57 ? -5.537 1.792 8.909 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 1 +ATOM 915 C CG . LYS A 1 57 ? -4.786 2.507 10.030 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 1 +ATOM 916 C CD . LYS A 1 57 ? -5.391 3.845 10.404 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 1 +ATOM 917 C CE . LYS A 1 57 ? -4.474 4.567 11.343 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 1 +ATOM 918 N NZ . LYS A 1 57 ? -5.005 5.868 11.785 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 1 +ATOM 919 H H . LYS A 1 57 ? -3.639 3.491 7.747 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 1 +ATOM 920 H HA . LYS A 1 57 ? -5.707 1.710 6.770 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 1 +ATOM 921 H HB2 . LYS A 1 57 ? -6.576 1.737 9.198 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 1 +ATOM 922 H HB3 . LYS A 1 57 ? -5.149 0.788 8.840 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 1 +ATOM 923 H HG2 . LYS A 1 57 ? -4.790 1.876 10.907 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 1 +ATOM 924 H HG3 . LYS A 1 57 ? -3.764 2.658 9.713 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 1 +ATOM 925 H HD2 . LYS A 1 57 ? -5.528 4.436 9.511 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 1 +ATOM 926 H HD3 . LYS A 1 57 ? -6.342 3.684 10.888 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 1 +ATOM 927 H HE2 . LYS A 1 57 ? -4.299 3.934 12.199 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 1 +ATOM 928 H HE3 . LYS A 1 57 ? -3.551 4.716 10.804 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 1 +ATOM 929 H HZ1 . LYS A 1 57 ? -5.888 5.756 12.323 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 1 +ATOM 930 H HZ2 . LYS A 1 57 ? -5.184 6.505 10.985 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 1 +ATOM 931 H HZ3 . LYS A 1 57 ? -4.312 6.329 12.409 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 1 +ATOM 932 N N . LEU A 1 58 ? -7.634 3.297 6.990 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 1 +ATOM 933 C CA . LEU A 1 58 ? -8.643 4.287 6.850 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 1 +ATOM 934 C C . LEU A 1 58 ? -9.467 4.487 8.086 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 1 +ATOM 935 O O . LEU A 1 58 ? -9.899 3.535 8.754 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 1 +ATOM 936 C CB . LEU A 1 58 ? -9.557 4.057 5.663 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 1 +ATOM 937 C CG . LEU A 1 58 ? -9.042 4.482 4.291 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 1 +ATOM 938 C CD1 . LEU A 1 58 ? -10.143 4.338 3.283 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 1 +ATOM 939 C CD2 . LEU A 1 58 ? -8.520 5.917 4.307 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 1 +ATOM 940 H H . LEU A 1 58 ? -7.854 2.359 6.795 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 1 +ATOM 941 H HA . LEU A 1 58 ? -8.119 5.210 6.672 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 1 +ATOM 942 H HB2 . LEU A 1 58 ? -9.773 2.999 5.623 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 1 +ATOM 943 H HB3 . LEU A 1 58 ? -10.481 4.574 5.862 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 1 +ATOM 944 H HG . LEU A 1 58 ? -8.244 3.830 3.971 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 1 +ATOM 945 H HD11 . LEU A 1 58 ? -9.796 4.662 2.313 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 1 +ATOM 946 H HD12 . LEU A 1 58 ? -10.993 4.934 3.580 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 1 +ATOM 947 H HD13 . LEU A 1 58 ? -10.425 3.299 3.232 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 1 +ATOM 948 H HD21 . LEU A 1 58 ? -8.247 6.202 3.301 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 1 +ATOM 949 H HD22 . LEU A 1 58 ? -7.640 5.981 4.928 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 1 +ATOM 950 H HD23 . LEU A 1 58 ? -9.283 6.585 4.677 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 1 +ATOM 951 N N . ARG A 1 59 ? -9.681 5.740 8.350 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 1 +ATOM 952 C CA . ARG A 1 59 ? -10.508 6.249 9.424 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 1 +ATOM 953 C C . ARG A 1 59 ? -11.977 5.809 9.262 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 1 +ATOM 954 O O . ARG A 1 59 ? -12.677 5.573 10.248 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 1 +ATOM 955 C CB . ARG A 1 59 ? -10.419 7.789 9.388 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 1 +ATOM 956 C CG . ARG A 1 59 ? -10.782 8.373 8.017 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 1 +ATOM 957 C CD . ARG A 1 59 ? -10.646 9.872 7.946 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 1 +ATOM 958 N NE . ARG A 1 59 ? -10.899 10.348 6.577 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 1 +ATOM 959 C CZ . ARG A 1 59 ? -10.672 11.582 6.123 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 1 +ATOM 960 N NH1 . ARG A 1 59 ? -10.241 12.532 6.937 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 1 +ATOM 961 N NH2 . ARG A 1 59 ? -10.906 11.854 4.853 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 1 +ATOM 962 H H . ARG A 1 59 ? -9.212 6.396 7.788 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 1 +ATOM 963 H HA . ARG A 1 59 ? -10.116 5.911 10.371 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 1 +ATOM 964 H HB2 . ARG A 1 59 ? -11.087 8.203 10.127 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 1 +ATOM 965 H HB3 . ARG A 1 59 ? -9.406 8.084 9.618 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 1 +ATOM 966 H HG2 . ARG A 1 59 ? -10.132 7.941 7.269 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 1 +ATOM 967 H HG3 . ARG A 1 59 ? -11.801 8.099 7.789 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 1 +ATOM 968 H HD2 . ARG A 1 59 ? -11.353 10.327 8.624 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 1 +ATOM 969 H HD3 . ARG A 1 59 ? -9.640 10.147 8.225 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 1 +ATOM 970 H HE . ARG A 1 59 ? -11.256 9.675 5.951 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 1 +ATOM 971 H HH11 . ARG A 1 59 ? -10.082 12.361 7.912 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 1 +ATOM 972 H HH12 . ARG A 1 59 ? -10.051 13.470 6.636 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 1 +ATOM 973 H HH21 . ARG A 1 59 ? -11.244 11.137 4.232 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 1 +ATOM 974 H HH22 . ARG A 1 59 ? -10.797 12.767 4.452 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 1 +ATOM 975 N N . SER A 1 60 ? -12.407 5.673 8.020 1.00 0.00 ? ? ? ? ? ? 57 SER A N 1 +ATOM 976 C CA . SER A 1 60 ? -13.779 5.400 7.690 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 1 +ATOM 977 C C . SER A 1 60 ? -14.226 3.956 8.041 1.00 0.00 ? ? ? ? ? ? 57 SER A C 1 +ATOM 978 O O . SER A 1 60 ? -14.740 3.707 9.128 1.00 0.00 ? ? ? ? ? ? 57 SER A O 1 +ATOM 979 C CB . SER A 1 60 ? -13.983 5.705 6.211 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 1 +ATOM 980 O OG . SER A 1 60 ? -13.369 6.946 5.882 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 1 +ATOM 981 H H . SER A 1 60 ? -11.787 5.807 7.275 1.00 0.00 ? ? ? ? ? ? 57 SER A H 1 +ATOM 982 H HA . SER A 1 60 ? -14.389 6.092 8.252 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 1 +ATOM 983 H HB2 . SER A 1 60 ? -13.539 4.925 5.611 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 1 +ATOM 984 H HB3 . SER A 1 60 ? -15.038 5.778 5.995 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 1 +ATOM 985 H HG . SER A 1 60 ? -14.073 7.566 5.650 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 1 +ATOM 986 N N . SER A 1 61 ? -13.995 3.021 7.152 1.00 0.00 ? ? ? ? ? ? 58 SER A N 1 +ATOM 987 C CA . SER A 1 61 ? -14.477 1.673 7.325 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 1 +ATOM 988 C C . SER A 1 61 ? -13.392 0.679 7.788 1.00 0.00 ? ? ? ? ? ? 58 SER A C 1 +ATOM 989 O O . SER A 1 61 ? -13.663 -0.518 7.962 1.00 0.00 ? ? ? ? ? ? 58 SER A O 1 +ATOM 990 C CB . SER A 1 61 ? -15.118 1.265 6.020 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 1 +ATOM 991 O OG . SER A 1 61 ? -14.368 1.816 4.935 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 1 +ATOM 992 H H . SER A 1 61 ? -13.541 3.196 6.300 1.00 0.00 ? ? ? ? ? ? 58 SER A H 1 +ATOM 993 H HA . SER A 1 61 ? -15.254 1.699 8.074 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 1 +ATOM 994 H HB2 . SER A 1 61 ? -15.123 0.188 5.945 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 1 +ATOM 995 H HB3 . SER A 1 61 ? -16.129 1.644 5.972 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 1 +ATOM 996 H HG . SER A 1 61 ? -14.906 1.712 4.144 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 1 +ATOM 997 N N . GLY A 1 62 ? -12.190 1.178 8.010 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 1 +ATOM 998 C CA . GLY A 1 62 ? -11.114 0.331 8.500 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 1 +ATOM 999 C C . GLY A 1 62 ? -10.474 -0.531 7.427 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 1 +ATOM 1000 O O . GLY A 1 62 ? -10.268 -1.730 7.610 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 1 +ATOM 1001 H H . GLY A 1 62 ? -12.042 2.135 7.871 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 1 +ATOM 1002 H HA2 . GLY A 1 62 ? -10.349 0.963 8.924 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 1 +ATOM 1003 H HA3 . GLY A 1 62 ? -11.500 -0.308 9.280 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 1 +ATOM 1004 N N . TYR A 1 63 ? -10.180 0.056 6.310 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 1 +ATOM 1005 C CA . TYR A 1 63 ? -9.462 -0.647 5.284 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 1 +ATOM 1006 C C . TYR A 1 63 ? -8.003 -0.302 5.381 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 1 +ATOM 1007 O O . TYR A 1 63 ? -7.654 0.811 5.774 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 1 +ATOM 1008 C CB . TYR A 1 63 ? -10.027 -0.369 3.890 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 1 +ATOM 1009 C CG . TYR A 1 63 ? -11.316 -1.117 3.605 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 1 +ATOM 1010 C CD1 . TYR A 1 63 ? -12.535 -0.667 4.081 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 1 +ATOM 1011 C CD2 . TYR A 1 63 ? -11.301 -2.283 2.857 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 1 +ATOM 1012 C CE1 . TYR A 1 63 ? -13.703 -1.360 3.818 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 1 +ATOM 1013 C CE2 . TYR A 1 63 ? -12.460 -2.979 2.592 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 1 +ATOM 1014 C CZ . TYR A 1 63 ? -13.657 -2.513 3.075 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 1 +ATOM 1015 O OH . TYR A 1 63 ? -14.821 -3.208 2.809 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 1 +ATOM 1016 H H . TYR A 1 63 ? -10.428 0.989 6.164 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 1 +ATOM 1017 H HA . TYR A 1 63 ? -9.563 -1.699 5.505 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 1 +ATOM 1018 H HB2 . TYR A 1 63 ? -10.227 0.688 3.794 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 1 +ATOM 1019 H HB3 . TYR A 1 63 ? -9.298 -0.660 3.149 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 1 +ATOM 1020 H HD1 . TYR A 1 63 ? -12.569 0.240 4.664 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 1 +ATOM 1021 H HD2 . TYR A 1 63 ? -10.357 -2.648 2.477 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 1 +ATOM 1022 H HE1 . TYR A 1 63 ? -14.646 -0.994 4.198 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 1 +ATOM 1023 H HE2 . TYR A 1 63 ? -12.424 -3.885 2.007 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 1 +ATOM 1024 H HH . TYR A 1 63 ? -15.490 -2.571 2.533 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 1 +ATOM 1025 N N . ARG A 1 64 ? -7.167 -1.254 5.083 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 1 +ATOM 1026 C CA . ARG A 1 64 ? -5.741 -1.091 5.181 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 1 +ATOM 1027 C C . ARG A 1 64 ? -5.123 -1.331 3.833 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 1 +ATOM 1028 O O . ARG A 1 64 ? -5.635 -2.122 3.030 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 1 +ATOM 1029 C CB . ARG A 1 64 ? -5.087 -2.079 6.172 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 1 +ATOM 1030 C CG . ARG A 1 64 ? -5.451 -1.962 7.658 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 1 +ATOM 1031 C CD . ARG A 1 64 ? -6.878 -2.389 7.964 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 1 +ATOM 1032 N NE . ARG A 1 64 ? -7.049 -2.712 9.384 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 1 +ATOM 1033 C CZ . ARG A 1 64 ? -8.034 -3.470 9.878 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 1 +ATOM 1034 N NH1 . ARG A 1 64 ? -9.137 -3.675 9.170 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 1 +ATOM 1035 N NH2 . ARG A 1 64 ? -7.946 -3.954 11.111 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 1 +ATOM 1036 H H . ARG A 1 64 ? -7.515 -2.097 4.717 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 1 +ATOM 1037 H HA . ARG A 1 64 ? -5.528 -0.083 5.502 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 1 +ATOM 1038 H HB2 . ARG A 1 64 ? -5.347 -3.080 5.862 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 1 +ATOM 1039 H HB3 . ARG A 1 64 ? -4.016 -1.974 6.078 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 1 +ATOM 1040 H HG2 . ARG A 1 64 ? -4.779 -2.584 8.231 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 1 +ATOM 1041 H HG3 . ARG A 1 64 ? -5.319 -0.933 7.956 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 1 +ATOM 1042 H HD2 . ARG A 1 64 ? -7.548 -1.584 7.701 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 1 +ATOM 1043 H HD3 . ARG A 1 64 ? -7.114 -3.263 7.375 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 1 +ATOM 1044 H HE . ARG A 1 64 ? -6.304 -2.401 9.952 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 1 +ATOM 1045 H HH11 . ARG A 1 64 ? -9.301 -3.254 8.273 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 1 +ATOM 1046 H HH12 . ARG A 1 64 ? -9.865 -4.307 9.483 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 1 +ATOM 1047 H HH21 . ARG A 1 64 ? -7.143 -3.779 11.690 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 1 +ATOM 1048 H HH22 . ARG A 1 64 ? -8.693 -4.488 11.514 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 1 +ATOM 1049 N N . LEU A 1 65 ? -4.049 -0.676 3.594 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 1 +ATOM 1050 C CA . LEU A 1 65 ? -3.304 -0.832 2.393 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 1 +ATOM 1051 C C . LEU A 1 65 ? -1.855 -1.058 2.798 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 1 +ATOM 1052 O O . LEU A 1 65 ? -1.335 -0.330 3.648 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 1 +ATOM 1053 C CB . LEU A 1 65 ? -3.502 0.431 1.528 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 1 +ATOM 1054 C CG . LEU A 1 65 ? -2.935 0.436 0.102 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 1 +ATOM 1055 C CD1 . LEU A 1 65 ? -3.585 1.544 -0.686 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 1 +ATOM 1056 C CD2 . LEU A 1 65 ? -1.445 0.664 0.109 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 1 +ATOM 1057 H H . LEU A 1 65 ? -3.735 -0.023 4.260 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 1 +ATOM 1058 H HA . LEU A 1 65 ? -3.673 -1.700 1.870 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 1 +ATOM 1059 H HB2 . LEU A 1 65 ? -4.564 0.612 1.458 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 1 +ATOM 1060 H HB3 . LEU A 1 65 ? -3.066 1.262 2.063 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 1 +ATOM 1061 H HG . LEU A 1 65 ? -3.143 -0.507 -0.383 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 1 +ATOM 1062 H HD11 . LEU A 1 65 ? -4.652 1.381 -0.693 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 1 +ATOM 1063 H HD12 . LEU A 1 65 ? -3.212 1.526 -1.699 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 1 +ATOM 1064 H HD13 . LEU A 1 65 ? -3.368 2.497 -0.228 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 1 +ATOM 1065 H HD21 . LEU A 1 65 ? -1.076 0.698 -0.904 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 1 +ATOM 1066 H HD22 . LEU A 1 65 ? -0.961 -0.135 0.653 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 1 +ATOM 1067 H HD23 . LEU A 1 65 ? -1.252 1.607 0.598 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 1 +ATOM 1068 N N . VAL A 1 66 ? -1.229 -2.080 2.239 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 1 +ATOM 1069 C CA . VAL A 1 66 ? 0.142 -2.418 2.574 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 1 +ATOM 1070 C C . VAL A 1 66 ? 1.005 -2.316 1.315 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 1 +ATOM 1071 O O . VAL A 1 66 ? 0.732 -2.976 0.288 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 1 +ATOM 1072 C CB . VAL A 1 66 ? 0.267 -3.851 3.190 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 1 +ATOM 1073 C CG1 . VAL A 1 66 ? 1.687 -4.117 3.686 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 1 +ATOM 1074 C CG2 . VAL A 1 66 ? -0.731 -4.049 4.328 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 1 +ATOM 1075 H H . VAL A 1 66 ? -1.681 -2.612 1.544 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 1 +ATOM 1076 H HA . VAL A 1 66 ? 0.487 -1.691 3.295 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 1 +ATOM 1077 H HB . VAL A 1 66 ? 0.047 -4.567 2.412 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 1 +ATOM 1078 H HG11 . VAL A 1 66 ? 1.934 -3.415 4.472 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 1 +ATOM 1079 H HG12 . VAL A 1 66 ? 2.389 -4.006 2.874 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 1 +ATOM 1080 H HG13 . VAL A 1 66 ? 1.752 -5.119 4.082 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 1 +ATOM 1081 H HG21 . VAL A 1 66 ? -1.735 -3.912 3.953 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 1 +ATOM 1082 H HG22 . VAL A 1 66 ? -0.540 -3.325 5.106 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 1 +ATOM 1083 H HG23 . VAL A 1 66 ? -0.628 -5.047 4.728 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 1 +ATOM 1084 N N . TYR A 1 67 ? 2.020 -1.505 1.384 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 1 +ATOM 1085 C CA . TYR A 1 67 ? 2.885 -1.250 0.255 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 1 +ATOM 1086 C C . TYR A 1 67 ? 4.331 -1.343 0.662 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 1 +ATOM 1087 O O . TYR A 1 67 ? 4.648 -1.262 1.846 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 1 +ATOM 1088 C CB . TYR A 1 67 ? 2.599 0.136 -0.364 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 1 +ATOM 1089 C CG . TYR A 1 67 ? 2.755 1.322 0.582 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 1 +ATOM 1090 C CD1 . TYR A 1 67 ? 4.005 1.822 0.924 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 1 +ATOM 1091 C CD2 . TYR A 1 67 ? 1.651 1.939 1.118 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 1 +ATOM 1092 C CE1 . TYR A 1 67 ? 4.137 2.894 1.771 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 1 +ATOM 1093 C CE2 . TYR A 1 67 ? 1.770 3.010 1.967 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 1 +ATOM 1094 C CZ . TYR A 1 67 ? 3.016 3.487 2.292 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 1 +ATOM 1095 O OH . TYR A 1 67 ? 3.145 4.546 3.159 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 1 +ATOM 1096 H H . TYR A 1 67 ? 2.214 -1.063 2.243 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 1 +ATOM 1097 H HA . TYR A 1 67 ? 2.688 -2.005 -0.492 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 1 +ATOM 1098 H HB2 . TYR A 1 67 ? 3.272 0.295 -1.192 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 1 +ATOM 1099 H HB3 . TYR A 1 67 ? 1.585 0.143 -0.737 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 1 +ATOM 1100 H HD1 . TYR A 1 67 ? 4.887 1.353 0.513 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 1 +ATOM 1101 H HD2 . TYR A 1 67 ? 0.673 1.560 0.863 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 1 +ATOM 1102 H HE1 . TYR A 1 67 ? 5.119 3.266 2.020 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 1 +ATOM 1103 H HE2 . TYR A 1 67 ? 0.877 3.472 2.359 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 1 +ATOM 1104 H HH . TYR A 1 67 ? 3.851 5.114 2.840 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 1 +ATOM 1105 N N . GLN A 1 68 ? 5.191 -1.548 -0.289 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 1 +ATOM 1106 C CA . GLN A 1 68 ? 6.597 -1.529 -0.033 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 1 +ATOM 1107 C C . GLN A 1 68 ? 7.205 -0.319 -0.708 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 1 +ATOM 1108 O O . GLN A 1 68 ? 6.823 0.040 -1.830 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 1 +ATOM 1109 C CB . GLN A 1 68 ? 7.305 -2.806 -0.508 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 1 +ATOM 1110 C CG . GLN A 1 68 ? 7.186 -3.086 -2.006 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 1 +ATOM 1111 C CD . GLN A 1 68 ? 8.112 -4.191 -2.494 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 1 +ATOM 1112 O OE1 . GLN A 1 68 ? 7.784 -4.921 -3.437 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 1 +ATOM 1113 N NE2 . GLN A 1 68 ? 9.293 -4.291 -1.912 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 1 +ATOM 1114 H H . GLN A 1 68 ? 4.874 -1.683 -1.212 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 1 +ATOM 1115 H HA . GLN A 1 68 ? 6.734 -1.419 1.032 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 1 +ATOM 1116 H HB2 . GLN A 1 68 ? 8.349 -2.711 -0.255 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 1 +ATOM 1117 H HB3 . GLN A 1 68 ? 6.896 -3.648 0.033 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 1 +ATOM 1118 H HG2 . GLN A 1 68 ? 6.170 -3.375 -2.225 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 1 +ATOM 1119 H HG3 . GLN A 1 68 ? 7.421 -2.177 -2.541 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 1 +ATOM 1120 H HE21 . GLN A 1 68 ? 9.542 -3.665 -1.198 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 1 +ATOM 1121 H HE22 . GLN A 1 68 ? 9.912 -4.988 -2.215 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 1 +ATOM 1122 N N . VAL A 1 69 ? 8.094 0.329 -0.036 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 1 +ATOM 1123 C CA . VAL A 1 69 ? 8.791 1.432 -0.620 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 1 +ATOM 1124 C C . VAL A 1 69 ? 10.073 0.901 -1.188 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 1 +ATOM 1125 O O . VAL A 1 69 ? 10.958 0.442 -0.448 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 1 +ATOM 1126 C CB . VAL A 1 69 ? 9.088 2.555 0.411 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 1 +ATOM 1127 C CG1 . VAL A 1 69 ? 9.883 3.696 -0.227 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 1 +ATOM 1128 C CG2 . VAL A 1 69 ? 7.792 3.085 0.988 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 1 +ATOM 1129 H H . VAL A 1 69 ? 8.307 0.041 0.881 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 1 +ATOM 1130 H HA . VAL A 1 69 ? 8.185 1.828 -1.422 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 1 +ATOM 1131 H HB . VAL A 1 69 ? 9.674 2.138 1.216 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 1 +ATOM 1132 H HG11 . VAL A 1 69 ? 10.819 3.315 -0.606 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 1 +ATOM 1133 H HG12 . VAL A 1 69 ? 10.076 4.457 0.513 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 1 +ATOM 1134 H HG13 . VAL A 1 69 ? 9.312 4.122 -1.040 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 1 +ATOM 1135 H HG21 . VAL A 1 69 ? 7.250 2.271 1.447 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 1 +ATOM 1136 H HG22 . VAL A 1 69 ? 7.190 3.521 0.204 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 1 +ATOM 1137 H HG23 . VAL A 1 69 ? 8.013 3.830 1.736 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 1 +ATOM 1138 N N . ILE A 1 70 ? 10.173 0.905 -2.478 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 1 +ATOM 1139 C CA . ILE A 1 70 ? 11.342 0.418 -3.111 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 1 +ATOM 1140 C C . ILE A 1 70 ? 12.235 1.600 -3.382 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 1 +ATOM 1141 O O . ILE A 1 70 ? 12.064 2.308 -4.377 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 1 +ATOM 1142 C CB . ILE A 1 70 ? 11.028 -0.312 -4.441 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 1 +ATOM 1143 C CG1 . ILE A 1 70 ? 9.925 -1.362 -4.235 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 1 +ATOM 1144 C CG2 . ILE A 1 70 ? 12.290 -0.983 -4.965 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 1 +ATOM 1145 C CD1 . ILE A 1 70 ? 9.479 -2.049 -5.513 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 1 +ATOM 1146 H H . ILE A 1 70 ? 9.448 1.260 -3.042 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 1 +ATOM 1147 H HA . ILE A 1 70 ? 11.839 -0.264 -2.436 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 1 +ATOM 1148 H HB . ILE A 1 70 ? 10.696 0.417 -5.165 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 1 +ATOM 1149 H HG12 . ILE A 1 70 ? 10.285 -2.126 -3.562 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 1 +ATOM 1150 H HG13 . ILE A 1 70 ? 9.063 -0.882 -3.797 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 1 +ATOM 1151 H HG21 . ILE A 1 70 ? 12.636 -1.719 -4.257 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 1 +ATOM 1152 H HG22 . ILE A 1 70 ? 13.057 -0.236 -5.103 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 1 +ATOM 1153 H HG23 . ILE A 1 70 ? 12.075 -1.462 -5.910 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 1 +ATOM 1154 H HD11 . ILE A 1 70 ? 9.102 -1.309 -6.205 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 1 +ATOM 1155 H HD12 . ILE A 1 70 ? 8.699 -2.760 -5.287 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 1 +ATOM 1156 H HD13 . ILE A 1 70 ? 10.318 -2.562 -5.959 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 1 +ATOM 1157 N N . ASP A 1 71 ? 13.159 1.827 -2.484 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 1 +ATOM 1158 C CA . ASP A 1 71 ? 14.094 2.943 -2.573 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 1 +ATOM 1159 C C . ASP A 1 71 ? 15.016 2.724 -3.750 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 1 +ATOM 1160 O O . ASP A 1 71 ? 15.427 3.663 -4.418 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 1 +ATOM 1161 C CB . ASP A 1 71 ? 14.905 3.047 -1.277 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 1 +ATOM 1162 C CG . ASP A 1 71 ? 15.829 4.236 -1.233 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 1 +ATOM 1163 O OD1 . ASP A 1 71 ? 16.972 4.141 -1.741 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 1 +ATOM 1164 O OD2 . ASP A 1 71 ? 15.444 5.279 -0.656 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 1 +ATOM 1165 H H . ASP A 1 71 ? 13.219 1.218 -1.715 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 1 +ATOM 1166 H HA . ASP A 1 71 ? 13.532 3.854 -2.719 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 1 +ATOM 1167 H HB2 . ASP A 1 71 ? 14.221 3.135 -0.447 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 1 +ATOM 1168 H HB3 . ASP A 1 71 ? 15.492 2.148 -1.158 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 1 +ATOM 1169 N N . GLU A 1 72 ? 15.269 1.448 -4.026 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 1 +ATOM 1170 C CA . GLU A 1 72 ? 16.118 1.003 -5.124 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 1 +ATOM 1171 C C . GLU A 1 72 ? 15.618 1.540 -6.470 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 1 +ATOM 1172 O O . GLU A 1 72 ? 16.407 1.964 -7.311 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 1 +ATOM 1173 C CB . GLU A 1 72 ? 16.107 -0.521 -5.178 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 1 +ATOM 1174 C CG . GLU A 1 72 ? 16.539 -1.193 -3.893 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 1 +ATOM 1175 C CD . GLU A 1 72 ? 16.424 -2.692 -3.959 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 1 +ATOM 1176 O OE1 . GLU A 1 72 ? 15.335 -3.240 -3.660 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 1 +ATOM 1177 O OE2 . GLU A 1 72 ? 17.413 -3.355 -4.300 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 1 +ATOM 1178 H H . GLU A 1 72 ? 14.872 0.780 -3.426 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 1 +ATOM 1179 H HA . GLU A 1 72 ? 17.130 1.331 -4.940 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 1 +ATOM 1180 H HB2 . GLU A 1 72 ? 15.105 -0.854 -5.410 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 1 +ATOM 1181 H HB3 . GLU A 1 72 ? 16.765 -0.845 -5.970 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 1 +ATOM 1182 H HG2 . GLU A 1 72 ? 17.570 -0.937 -3.697 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 1 +ATOM 1183 H HG3 . GLU A 1 72 ? 15.922 -0.829 -3.087 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 1 +ATOM 1184 N N . LYS A 1 73 ? 14.311 1.542 -6.647 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 1 +ATOM 1185 C CA . LYS A 1 73 ? 13.713 1.943 -7.915 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 1 +ATOM 1186 C C . LYS A 1 73 ? 13.034 3.320 -7.786 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 1 +ATOM 1187 O O . LYS A 1 73 ? 12.586 3.894 -8.777 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 1 +ATOM 1188 C CB . LYS A 1 73 ? 12.677 0.900 -8.340 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 1 +ATOM 1189 C CG . LYS A 1 73 ? 13.180 -0.538 -8.391 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 1 +ATOM 1190 C CD . LYS A 1 73 ? 12.039 -1.497 -8.729 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 1 +ATOM 1191 C CE . LYS A 1 73 ? 12.381 -2.945 -8.378 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 1 +ATOM 1192 N NZ . LYS A 1 73 ? 13.558 -3.451 -9.099 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 1 +ATOM 1193 H H . LYS A 1 73 ? 13.729 1.274 -5.906 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 1 +ATOM 1194 H HA . LYS A 1 73 ? 14.490 1.990 -8.663 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 1 +ATOM 1195 H HB2 . LYS A 1 73 ? 11.905 0.912 -7.588 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 1 +ATOM 1196 H HB3 . LYS A 1 73 ? 12.262 1.162 -9.301 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 1 +ATOM 1197 H HG2 . LYS A 1 73 ? 13.945 -0.615 -9.150 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 1 +ATOM 1198 H HG3 . LYS A 1 73 ? 13.594 -0.803 -7.429 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 1 +ATOM 1199 H HD2 . LYS A 1 73 ? 11.160 -1.204 -8.175 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 1 +ATOM 1200 H HD3 . LYS A 1 73 ? 11.833 -1.431 -9.786 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 1 +ATOM 1201 H HE2 . LYS A 1 73 ? 12.572 -3.004 -7.317 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 1 +ATOM 1202 H HE3 . LYS A 1 73 ? 11.528 -3.565 -8.609 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 1 +ATOM 1203 H HZ1 . LYS A 1 73 ? 13.369 -3.502 -10.119 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 1 +ATOM 1204 H HZ2 . LYS A 1 73 ? 13.799 -4.406 -8.771 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 1 +ATOM 1205 H HZ3 . LYS A 1 73 ? 14.396 -2.857 -8.950 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 1 +ATOM 1206 N N . VAL A 1 74 ? 12.976 3.841 -6.550 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 1 +ATOM 1207 C CA . VAL A 1 74 ? 12.331 5.142 -6.227 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 1 +ATOM 1208 C C . VAL A 1 74 ? 10.786 5.054 -6.480 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 1 +ATOM 1209 O O . VAL A 1 74 ? 10.098 6.037 -6.792 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 1 +ATOM 1210 C CB . VAL A 1 74 ? 13.009 6.345 -7.016 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 1 +ATOM 1211 C CG1 . VAL A 1 74 ? 12.491 7.714 -6.555 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 1 +ATOM 1212 C CG2 . VAL A 1 74 ? 14.532 6.300 -6.867 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 1 +ATOM 1213 H H . VAL A 1 74 ? 13.385 3.337 -5.816 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 1 +ATOM 1214 H HA . VAL A 1 74 ? 12.460 5.286 -5.163 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 1 +ATOM 1215 H HB . VAL A 1 74 ? 12.770 6.234 -8.064 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 1 +ATOM 1216 H HG11 . VAL A 1 74 ? 12.702 7.847 -5.504 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 1 +ATOM 1217 H HG12 . VAL A 1 74 ? 11.425 7.771 -6.715 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 1 +ATOM 1218 H HG13 . VAL A 1 74 ? 12.979 8.494 -7.122 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 1 +ATOM 1219 H HG21 . VAL A 1 74 ? 14.906 5.367 -7.262 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 1 +ATOM 1220 H HG22 . VAL A 1 74 ? 14.792 6.378 -5.823 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 1 +ATOM 1221 H HG23 . VAL A 1 74 ? 14.971 7.124 -7.409 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 1 +ATOM 1222 N N . VAL A 1 75 ? 10.239 3.882 -6.251 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 1 +ATOM 1223 C CA . VAL A 1 75 ? 8.824 3.656 -6.467 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 1 +ATOM 1224 C C . VAL A 1 75 ? 8.218 2.914 -5.280 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 1 +ATOM 1225 O O . VAL A 1 75 ? 8.850 2.043 -4.679 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 1 +ATOM 1226 C CB . VAL A 1 75 ? 8.534 2.891 -7.818 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 1 +ATOM 1227 C CG1 . VAL A 1 75 ? 9.142 1.510 -7.826 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 1 +ATOM 1228 C CG2 . VAL A 1 75 ? 7.044 2.810 -8.124 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 1 +ATOM 1229 H H . VAL A 1 75 ? 10.787 3.158 -5.881 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 1 +ATOM 1230 H HA . VAL A 1 75 ? 8.359 4.630 -6.517 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 1 +ATOM 1231 H HB . VAL A 1 75 ? 9.010 3.445 -8.612 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 1 +ATOM 1232 H HG11 . VAL A 1 75 ? 8.713 0.920 -7.031 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 1 +ATOM 1233 H HG12 . VAL A 1 75 ? 10.201 1.621 -7.666 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 1 +ATOM 1234 H HG13 . VAL A 1 75 ? 8.957 1.043 -8.782 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 1 +ATOM 1235 H HG21 . VAL A 1 75 ? 6.548 2.273 -7.328 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 1 +ATOM 1236 H HG22 . VAL A 1 75 ? 6.894 2.286 -9.056 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 1 +ATOM 1237 H HG23 . VAL A 1 75 ? 6.629 3.803 -8.197 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 1 +ATOM 1238 N N . VAL A 1 76 ? 7.045 3.309 -4.923 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 1 +ATOM 1239 C CA . VAL A 1 76 ? 6.286 2.703 -3.884 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 1 +ATOM 1240 C C . VAL A 1 76 ? 5.318 1.716 -4.534 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 1 +ATOM 1241 O O . VAL A 1 76 ? 4.475 2.103 -5.344 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 1 +ATOM 1242 C CB . VAL A 1 76 ? 5.515 3.786 -3.098 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 1 +ATOM 1243 C CG1 . VAL A 1 76 ? 4.643 3.175 -2.034 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 1 +ATOM 1244 C CG2 . VAL A 1 76 ? 6.482 4.788 -2.482 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 1 +ATOM 1245 H H . VAL A 1 76 ? 6.630 4.065 -5.395 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 1 +ATOM 1246 H HA . VAL A 1 76 ? 6.956 2.177 -3.220 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 1 +ATOM 1247 H HB . VAL A 1 76 ? 4.893 4.318 -3.802 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 1 +ATOM 1248 H HG11 . VAL A 1 76 ? 4.118 3.958 -1.506 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 1 +ATOM 1249 H HG12 . VAL A 1 76 ? 5.261 2.625 -1.339 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 1 +ATOM 1250 H HG13 . VAL A 1 76 ? 3.929 2.507 -2.490 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 1 +ATOM 1251 H HG21 . VAL A 1 76 ? 7.051 5.267 -3.265 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 1 +ATOM 1252 H HG22 . VAL A 1 76 ? 7.159 4.273 -1.816 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 1 +ATOM 1253 H HG23 . VAL A 1 76 ? 5.929 5.534 -1.931 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 1 +ATOM 1254 N N . PHE A 1 77 ? 5.461 0.470 -4.207 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 1 +ATOM 1255 C CA . PHE A 1 77 ? 4.691 -0.583 -4.823 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 1 +ATOM 1256 C C . PHE A 1 77 ? 3.664 -1.132 -3.847 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 1 +ATOM 1257 O O . PHE A 1 77 ? 4.020 -1.654 -2.788 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 1 +ATOM 1258 C CB . PHE A 1 77 ? 5.648 -1.693 -5.283 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 1 +ATOM 1259 C CG . PHE A 1 77 ? 4.995 -2.870 -5.954 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 1 +ATOM 1260 C CD1 . PHE A 1 77 ? 4.591 -2.794 -7.272 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 1 +ATOM 1261 C CD2 . PHE A 1 77 ? 4.809 -4.062 -5.268 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 1 +ATOM 1262 C CE1 . PHE A 1 77 ? 4.015 -3.878 -7.896 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 1 +ATOM 1263 C CE2 . PHE A 1 77 ? 4.230 -5.150 -5.886 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 1 +ATOM 1264 C CZ . PHE A 1 77 ? 3.835 -5.056 -7.204 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 1 +ATOM 1265 H H . PHE A 1 77 ? 6.093 0.235 -3.490 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 1 +ATOM 1266 H HA . PHE A 1 77 ? 4.188 -0.182 -5.690 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 1 +ATOM 1267 H HB2 . PHE A 1 77 ? 6.358 -1.273 -5.979 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 1 +ATOM 1268 H HB3 . PHE A 1 77 ? 6.189 -2.058 -4.423 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 1 +ATOM 1269 H HD1 . PHE A 1 77 ? 4.733 -1.872 -7.817 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 1 +ATOM 1270 H HD2 . PHE A 1 77 ? 5.120 -4.132 -4.236 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 1 +ATOM 1271 H HE1 . PHE A 1 77 ? 3.704 -3.802 -8.927 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 1 +ATOM 1272 H HE2 . PHE A 1 77 ? 4.090 -6.073 -5.344 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 1 +ATOM 1273 H HZ . PHE A 1 77 ? 3.383 -5.903 -7.697 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 1 +ATOM 1274 N N . VAL A 1 78 ? 2.402 -0.998 -4.188 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 1 +ATOM 1275 C CA . VAL A 1 78 ? 1.333 -1.529 -3.371 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 1 +ATOM 1276 C C . VAL A 1 78 ? 1.248 -3.023 -3.599 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 1 +ATOM 1277 O O . VAL A 1 78 ? 1.040 -3.475 -4.732 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 1 +ATOM 1278 C CB . VAL A 1 78 ? -0.034 -0.867 -3.708 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 1 +ATOM 1279 C CG1 . VAL A 1 78 ? -1.171 -1.466 -2.878 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 1 +ATOM 1280 C CG2 . VAL A 1 78 ? 0.041 0.639 -3.502 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 1 +ATOM 1281 H H . VAL A 1 78 ? 2.179 -0.532 -5.025 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 1 +ATOM 1282 H HA . VAL A 1 78 ? 1.576 -1.341 -2.335 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 1 +ATOM 1283 H HB . VAL A 1 78 ? -0.251 -1.055 -4.749 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 1 +ATOM 1284 H HG11 . VAL A 1 78 ? -1.265 -2.518 -3.106 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 1 +ATOM 1285 H HG12 . VAL A 1 78 ? -2.101 -0.966 -3.102 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 1 +ATOM 1286 H HG13 . VAL A 1 78 ? -0.948 -1.353 -1.827 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 1 +ATOM 1287 H HG21 . VAL A 1 78 ? 0.327 0.852 -2.483 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 1 +ATOM 1288 H HG22 . VAL A 1 78 ? -0.923 1.079 -3.706 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 1 +ATOM 1289 H HG23 . VAL A 1 78 ? 0.777 1.055 -4.175 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 1 +ATOM 1290 N N . ILE A 1 79 ? 1.406 -3.777 -2.534 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 1 +ATOM 1291 C CA . ILE A 1 79 ? 1.391 -5.218 -2.629 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 1 +ATOM 1292 C C . ILE A 1 79 ? -0.019 -5.717 -2.384 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 1 +ATOM 1293 O O . ILE A 1 79 ? -0.510 -6.616 -3.062 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 1 +ATOM 1294 C CB . ILE A 1 79 ? 2.330 -5.884 -1.572 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 1 +ATOM 1295 C CG1 . ILE A 1 79 ? 3.751 -5.287 -1.621 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 1 +ATOM 1296 C CG2 . ILE A 1 79 ? 2.391 -7.397 -1.812 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 1 +ATOM 1297 C CD1 . ILE A 1 79 ? 4.689 -5.824 -0.539 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 1 +ATOM 1298 H H . ILE A 1 79 ? 1.526 -3.355 -1.657 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 1 +ATOM 1299 H HA . ILE A 1 79 ? 1.716 -5.506 -3.618 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 1 +ATOM 1300 H HB . ILE A 1 79 ? 1.904 -5.715 -0.593 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 1 +ATOM 1301 H HG12 . ILE A 1 79 ? 4.192 -5.512 -2.580 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 1 +ATOM 1302 H HG13 . ILE A 1 79 ? 3.685 -4.215 -1.506 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 1 +ATOM 1303 H HG21 . ILE A 1 79 ? 3.063 -7.849 -1.099 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 1 +ATOM 1304 H HG22 . ILE A 1 79 ? 2.749 -7.589 -2.812 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 1 +ATOM 1305 H HG23 . ILE A 1 79 ? 1.403 -7.819 -1.696 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 1 +ATOM 1306 H HD11 . ILE A 1 79 ? 5.662 -5.366 -0.636 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 1 +ATOM 1307 H HD12 . ILE A 1 79 ? 4.790 -6.894 -0.638 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 1 +ATOM 1308 H HD13 . ILE A 1 79 ? 4.289 -5.604 0.440 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 1 +ATOM 1309 N N . SER A 1 80 ? -0.679 -5.132 -1.408 1.00 0.00 ? ? ? ? ? ? 77 SER A N 1 +ATOM 1310 C CA . SER A 1 80 ? -1.995 -5.568 -1.037 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 1 +ATOM 1311 C C . SER A 1 80 ? -2.823 -4.417 -0.518 1.00 0.00 ? ? ? ? ? ? 77 SER A C 1 +ATOM 1312 O O . SER A 1 80 ? -2.288 -3.428 0.002 1.00 0.00 ? ? ? ? ? ? 77 SER A O 1 +ATOM 1313 C CB . SER A 1 80 ? -1.889 -6.646 0.030 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 1 +ATOM 1314 O OG . SER A 1 80 ? -1.141 -7.735 -0.442 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 1 +ATOM 1315 H H . SER A 1 80 ? -0.289 -4.379 -0.911 1.00 0.00 ? ? ? ? ? ? 77 SER A H 1 +ATOM 1316 H HA . SER A 1 80 ? -2.473 -5.997 -1.904 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 1 +ATOM 1317 H HB2 . SER A 1 80 ? -1.389 -6.239 0.897 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 1 +ATOM 1318 H HB3 . SER A 1 80 ? -2.876 -6.988 0.301 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 1 +ATOM 1319 H HG . SER A 1 80 ? -0.940 -7.582 -1.375 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 1 +ATOM 1320 N N . VAL A 1 81 ? -4.111 -4.542 -0.662 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 1 +ATOM 1321 C CA . VAL A 1 81 ? -5.033 -3.566 -0.196 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 1 +ATOM 1322 C C . VAL A 1 81 ? -6.322 -4.283 0.196 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 1 +ATOM 1323 O O . VAL A 1 81 ? -6.723 -5.253 -0.459 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 1 +ATOM 1324 C CB . VAL A 1 81 ? -5.283 -2.462 -1.277 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 1 +ATOM 1325 C CG1 . VAL A 1 81 ? -5.882 -3.027 -2.553 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 1 +ATOM 1326 C CG2 . VAL A 1 81 ? -6.129 -1.336 -0.732 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 1 +ATOM 1327 H H . VAL A 1 81 ? -4.499 -5.333 -1.095 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 1 +ATOM 1328 H HA . VAL A 1 81 ? -4.609 -3.113 0.689 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 1 +ATOM 1329 H HB . VAL A 1 81 ? -4.317 -2.058 -1.540 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 1 +ATOM 1330 H HG11 . VAL A 1 81 ? -6.825 -3.502 -2.325 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 1 +ATOM 1331 H HG12 . VAL A 1 81 ? -5.208 -3.756 -2.977 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 1 +ATOM 1332 H HG13 . VAL A 1 81 ? -6.043 -2.228 -3.262 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 1 +ATOM 1333 H HG21 . VAL A 1 81 ? -5.622 -0.896 0.114 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 1 +ATOM 1334 H HG22 . VAL A 1 81 ? -7.091 -1.718 -0.423 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 1 +ATOM 1335 H HG23 . VAL A 1 81 ? -6.261 -0.586 -1.497 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 1 +ATOM 1336 N N . GLY A 1 82 ? -6.909 -3.880 1.284 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 1 +ATOM 1337 C CA . GLY A 1 82 ? -8.124 -4.485 1.727 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 1 +ATOM 1338 C C . GLY A 1 82 ? -8.277 -4.378 3.212 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 1 +ATOM 1339 O O . GLY A 1 82 ? -8.375 -3.293 3.747 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 1 +ATOM 1340 H H . GLY A 1 82 ? -6.512 -3.158 1.826 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 1 +ATOM 1341 H HA2 . GLY A 1 82 ? -8.953 -3.985 1.249 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 1 +ATOM 1342 H HA3 . GLY A 1 82 ? -8.132 -5.526 1.444 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 1 +ATOM 1343 N N . LYS A 1 83 ? -8.262 -5.486 3.886 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 1 +ATOM 1344 C CA . LYS A 1 83 ? -8.451 -5.514 5.320 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 1 +ATOM 1345 C C . LYS A 1 83 ? -7.310 -6.295 5.950 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 1 +ATOM 1346 O O . LYS A 1 83 ? -6.701 -7.128 5.281 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 1 +ATOM 1347 C CB . LYS A 1 83 ? -9.831 -6.088 5.632 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 1 +ATOM 1348 C CG . LYS A 1 83 ? -10.949 -5.197 5.095 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 1 +ATOM 1349 C CD . LYS A 1 83 ? -12.330 -5.798 5.229 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 1 +ATOM 1350 C CE . LYS A 1 83 ? -12.742 -6.005 6.669 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 1 +ATOM 1351 N NZ . LYS A 1 83 ? -14.142 -6.466 6.759 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 1 +ATOM 1352 H H . LYS A 1 83 ? -8.102 -6.340 3.432 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 1 +ATOM 1353 H HA . LYS A 1 83 ? -8.395 -4.493 5.669 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 1 +ATOM 1354 H HB2 . LYS A 1 83 ? -9.915 -7.066 5.180 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 1 +ATOM 1355 H HB3 . LYS A 1 83 ? -9.946 -6.174 6.702 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 1 +ATOM 1356 H HG2 . LYS A 1 83 ? -10.935 -4.264 5.636 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 1 +ATOM 1357 H HG3 . LYS A 1 83 ? -10.750 -4.998 4.051 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 1 +ATOM 1358 H HD2 . LYS A 1 83 ? -13.040 -5.133 4.761 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 1 +ATOM 1359 H HD3 . LYS A 1 83 ? -12.338 -6.747 4.715 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 1 +ATOM 1360 H HE2 . LYS A 1 83 ? -12.097 -6.750 7.110 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 1 +ATOM 1361 H HE3 . LYS A 1 83 ? -12.639 -5.075 7.207 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 1 +ATOM 1362 H HZ1 . LYS A 1 83 ? -14.413 -6.633 7.749 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 1 +ATOM 1363 H HZ2 . LYS A 1 83 ? -14.296 -7.339 6.219 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 1 +ATOM 1364 H HZ3 . LYS A 1 83 ? -14.778 -5.734 6.381 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 1 +ATOM 1365 N N . ALA A 1 84 ? -7.009 -6.044 7.214 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 1 +ATOM 1366 C CA . ALA A 1 84 ? -5.786 -6.593 7.797 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 1 +ATOM 1367 C C . ALA A 1 84 ? -5.992 -7.296 9.132 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 1 +ATOM 1368 O O . ALA A 1 84 ? -5.027 -7.747 9.747 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 1 +ATOM 1369 C CB . ALA A 1 84 ? -4.761 -5.486 7.949 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 1 +ATOM 1370 H H . ALA A 1 84 ? -7.625 -5.521 7.767 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 1 +ATOM 1371 H HA . ALA A 1 84 ? -5.378 -7.305 7.095 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 1 +ATOM 1372 H HB1 . ALA A 1 84 ? -3.831 -5.881 8.326 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 1 +ATOM 1373 H HB2 . ALA A 1 84 ? -5.139 -4.746 8.639 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 1 +ATOM 1374 H HB3 . ALA A 1 84 ? -4.592 -5.022 6.989 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 1 +ATOM 1375 N N . GLU A 1 85 ? -7.220 -7.448 9.558 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 1 +ATOM 1376 C CA . GLU A 1 85 ? -7.491 -8.071 10.849 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 1 +ATOM 1377 C C . GLU A 1 85 ? -7.386 -9.588 10.781 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 1 +ATOM 1378 O O . GLU A 1 85 ? -7.311 -10.258 11.804 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 1 +ATOM 1379 C CB . GLU A 1 85 ? -8.829 -7.612 11.497 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 1 +ATOM 1380 C CG . GLU A 1 85 ? -10.087 -7.785 10.653 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 1 +ATOM 1381 C CD . GLU A 1 85 ? -10.158 -6.817 9.506 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 1 +ATOM 1382 O OE1 . GLU A 1 85 ? -9.599 -7.110 8.448 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 1 +ATOM 1383 O OE2 . GLU A 1 85 ? -10.730 -5.733 9.664 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 1 +ATOM 1384 H H . GLU A 1 85 ? -7.988 -7.179 8.998 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 1 +ATOM 1385 H HA . GLU A 1 85 ? -6.679 -7.750 11.486 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 1 +ATOM 1386 H HB2 . GLU A 1 85 ? -8.974 -8.183 12.403 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 1 +ATOM 1387 H HB3 . GLU A 1 85 ? -8.738 -6.570 11.764 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 1 +ATOM 1388 H HG2 . GLU A 1 85 ? -10.079 -8.788 10.253 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 1 +ATOM 1389 H HG3 . GLU A 1 85 ? -10.954 -7.654 11.283 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 1 +ATOM 1390 N N . ALA A 1 86 ? -7.393 -10.126 9.579 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 1 +ATOM 1391 C CA . ALA A 1 86 ? -7.199 -11.553 9.391 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 1 +ATOM 1392 C C . ALA A 1 86 ? -5.763 -11.818 8.951 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 1 +ATOM 1393 O O . ALA A 1 86 ? -5.353 -12.953 8.776 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 1 +ATOM 1394 C CB . ALA A 1 86 ? -8.193 -12.098 8.376 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 1 +ATOM 1395 H H . ALA A 1 86 ? -7.549 -9.561 8.791 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 1 +ATOM 1396 H HA . ALA A 1 86 ? -7.365 -12.036 10.342 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 1 +ATOM 1397 H HB1 . ALA A 1 86 ? -8.044 -11.606 7.427 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 1 +ATOM 1398 H HB2 . ALA A 1 86 ? -9.200 -11.915 8.721 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 1 +ATOM 1399 H HB3 . ALA A 1 86 ? -8.040 -13.160 8.256 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 1 +ATOM 1400 N N . SER A 1 87 ? -5.015 -10.723 8.774 1.00 0.00 ? ? ? ? ? ? 84 SER A N 1 +ATOM 1401 C CA . SER A 1 87 ? -3.601 -10.728 8.383 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 1 +ATOM 1402 C C . SER A 1 87 ? -3.343 -11.324 6.976 1.00 0.00 ? ? ? ? ? ? 84 SER A C 1 +ATOM 1403 O O . SER A 1 87 ? -2.193 -11.560 6.586 1.00 0.00 ? ? ? ? ? ? 84 SER A O 1 +ATOM 1404 C CB . SER A 1 87 ? -2.745 -11.415 9.453 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 1 +ATOM 1405 O OG . SER A 1 87 ? -2.888 -10.747 10.702 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 1 +ATOM 1406 H H . SER A 1 87 ? -5.442 -9.859 8.940 1.00 0.00 ? ? ? ? ? ? 84 SER A H 1 +ATOM 1407 H HA . SER A 1 87 ? -3.328 -9.685 8.359 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 1 +ATOM 1408 H HB2 . SER A 1 87 ? -3.064 -12.442 9.563 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 1 +ATOM 1409 H HB3 . SER A 1 87 ? -1.707 -11.387 9.157 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 1 +ATOM 1410 H HG . SER A 1 87 ? -3.632 -11.163 11.159 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 1 +ATOM 1411 N N . GLU A 1 88 ? -4.394 -11.458 6.194 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 1 +ATOM 1412 C CA . GLU A 1 88 ? -4.331 -12.064 4.874 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 1 +ATOM 1413 C C . GLU A 1 88 ? -3.518 -11.224 3.891 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 1 +ATOM 1414 O O . GLU A 1 88 ? -2.911 -11.754 2.955 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 1 +ATOM 1415 C CB . GLU A 1 88 ? -5.733 -12.317 4.359 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 1 +ATOM 1416 C CG . GLU A 1 88 ? -6.543 -13.238 5.259 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 1 +ATOM 1417 C CD . GLU A 1 88 ? -5.926 -14.607 5.402 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 1 +ATOM 1418 O OE1 . GLU A 1 88 ? -5.020 -14.793 6.234 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 1 +ATOM 1419 O OE2 . GLU A 1 88 ? -6.340 -15.531 4.682 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 1 +ATOM 1420 H H . GLU A 1 88 ? -5.268 -11.152 6.518 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 1 +ATOM 1421 H HA . GLU A 1 88 ? -3.836 -13.017 4.988 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 1 +ATOM 1422 H HB2 . GLU A 1 88 ? -6.251 -11.373 4.272 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 1 +ATOM 1423 H HB3 . GLU A 1 88 ? -5.667 -12.769 3.384 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 1 +ATOM 1424 H HG2 . GLU A 1 88 ? -6.611 -12.793 6.240 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 1 +ATOM 1425 H HG3 . GLU A 1 88 ? -7.532 -13.341 4.840 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 1 +ATOM 1426 N N . VAL A 1 89 ? -3.498 -9.922 4.105 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 1 +ATOM 1427 C CA . VAL A 1 89 ? -2.710 -9.024 3.261 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 1 +ATOM 1428 C C . VAL A 1 89 ? -1.210 -9.167 3.544 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 1 +ATOM 1429 O O . VAL A 1 89 ? -0.374 -8.862 2.704 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 1 +ATOM 1430 C CB . VAL A 1 89 ? -3.146 -7.532 3.389 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 1 +ATOM 1431 C CG1 . VAL A 1 89 ? -4.545 -7.334 2.827 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 1 +ATOM 1432 C CG2 . VAL A 1 89 ? -3.094 -7.067 4.840 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 1 +ATOM 1433 H H . VAL A 1 89 ? -4.038 -9.569 4.843 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 1 +ATOM 1434 H HA . VAL A 1 89 ? -2.869 -9.342 2.241 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 1 +ATOM 1435 H HB . VAL A 1 89 ? -2.462 -6.924 2.811 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 1 +ATOM 1436 H HG11 . VAL A 1 89 ? -5.242 -7.950 3.376 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 1 +ATOM 1437 H HG12 . VAL A 1 89 ? -4.558 -7.619 1.786 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 1 +ATOM 1438 H HG13 . VAL A 1 89 ? -4.830 -6.296 2.920 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 1 +ATOM 1439 H HG21 . VAL A 1 89 ? -3.763 -7.673 5.433 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 1 +ATOM 1440 H HG22 . VAL A 1 89 ? -3.398 -6.032 4.899 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 1 +ATOM 1441 H HG23 . VAL A 1 89 ? -2.087 -7.171 5.215 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 1 +ATOM 1442 N N . TYR A 1 90 ? -0.875 -9.683 4.715 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 1 +ATOM 1443 C CA . TYR A 1 90 ? 0.521 -9.859 5.076 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 1 +ATOM 1444 C C . TYR A 1 90 ? 1.037 -11.123 4.443 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 1 +ATOM 1445 O O . TYR A 1 90 ? 2.222 -11.252 4.192 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 1 +ATOM 1446 C CB . TYR A 1 90 ? 0.725 -9.905 6.594 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 1 +ATOM 1447 C CG . TYR A 1 90 ? 0.258 -8.662 7.318 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 1 +ATOM 1448 C CD1 . TYR A 1 90 ? -1.071 -8.498 7.628 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 1 +ATOM 1449 C CD2 . TYR A 1 90 ? 1.143 -7.657 7.681 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 1 +ATOM 1450 C CE1 . TYR A 1 90 ? -1.526 -7.385 8.280 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 1 +ATOM 1451 C CE2 . TYR A 1 90 ? 0.697 -6.527 8.341 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 1 +ATOM 1452 C CZ . TYR A 1 90 ? -0.644 -6.399 8.639 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 1 +ATOM 1453 O OH . TYR A 1 90 ? -1.104 -5.274 9.284 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 1 +ATOM 1454 H H . TYR A 1 90 ? -1.572 -9.976 5.340 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 1 +ATOM 1455 H HA . TYR A 1 90 ? 1.067 -9.023 4.665 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 1 +ATOM 1456 H HB2 . TYR A 1 90 ? 0.189 -10.750 6.999 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 1 +ATOM 1457 H HB3 . TYR A 1 90 ? 1.778 -10.031 6.796 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 1 +ATOM 1458 H HD1 . TYR A 1 90 ? -1.756 -9.279 7.337 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 1 +ATOM 1459 H HD2 . TYR A 1 90 ? 2.193 -7.765 7.448 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 1 +ATOM 1460 H HE1 . TYR A 1 90 ? -2.575 -7.301 8.511 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 1 +ATOM 1461 H HE2 . TYR A 1 90 ? 1.394 -5.751 8.619 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 1 +ATOM 1462 H HH . TYR A 1 90 ? -0.558 -4.527 9.013 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 1 +ATOM 1463 N N . SER A 1 91 ? 0.120 -12.041 4.154 1.00 0.00 ? ? ? ? ? ? 88 SER A N 1 +ATOM 1464 C CA . SER A 1 91 ? 0.450 -13.285 3.494 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 1 +ATOM 1465 C C . SER A 1 91 ? 0.994 -13.002 2.079 1.00 0.00 ? ? ? ? ? ? 88 SER A C 1 +ATOM 1466 O O . SER A 1 91 ? 1.906 -13.680 1.603 1.00 0.00 ? ? ? ? ? ? 88 SER A O 1 +ATOM 1467 C CB . SER A 1 91 ? -0.789 -14.182 3.459 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 1 +ATOM 1468 O OG . SER A 1 91 ? -1.316 -14.346 4.782 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 1 +ATOM 1469 H H . SER A 1 91 ? -0.816 -11.889 4.404 1.00 0.00 ? ? ? ? ? ? 88 SER A H 1 +ATOM 1470 H HA . SER A 1 91 ? 1.224 -13.768 4.071 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 1 +ATOM 1471 H HB2 . SER A 1 91 ? -1.545 -13.727 2.834 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 1 +ATOM 1472 H HB3 . SER A 1 91 ? -0.523 -15.150 3.065 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 1 +ATOM 1473 H HG . SER A 1 91 ? -0.573 -14.629 5.333 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 1 +ATOM 1474 N N . GLU A 1 92 ? 0.447 -11.977 1.434 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 1 +ATOM 1475 C CA . GLU A 1 92 ? 0.956 -11.529 0.152 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 1 +ATOM 1476 C C . GLU A 1 92 ? 2.283 -10.837 0.333 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 1 +ATOM 1477 O O . GLU A 1 92 ? 3.262 -11.185 -0.310 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 1 +ATOM 1478 C CB . GLU A 1 92 ? -0.015 -10.578 -0.525 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 1 +ATOM 1479 C CG . GLU A 1 92 ? -1.191 -11.234 -1.201 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 1 +ATOM 1480 C CD . GLU A 1 92 ? -0.752 -12.080 -2.365 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 1 +ATOM 1481 O OE1 . GLU A 1 92 ? -0.017 -11.576 -3.240 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 1 +ATOM 1482 O OE2 . GLU A 1 92 ? -1.098 -13.286 -2.412 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 1 +ATOM 1483 H H . GLU A 1 92 ? -0.316 -11.508 1.832 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 1 +ATOM 1484 H HA . GLU A 1 92 ? 1.095 -12.395 -0.477 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 1 +ATOM 1485 H HB2 . GLU A 1 92 ? -0.396 -9.891 0.216 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 1 +ATOM 1486 H HB3 . GLU A 1 92 ? 0.528 -10.012 -1.268 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 1 +ATOM 1487 H HG2 . GLU A 1 92 ? -1.698 -11.863 -0.483 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 1 +ATOM 1488 H HG3 . GLU A 1 92 ? -1.866 -10.471 -1.559 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 1 +ATOM 1489 N N . ALA A 1 93 ? 2.311 -9.894 1.259 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 1 +ATOM 1490 C CA . ALA A 1 93 ? 3.485 -9.085 1.528 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 1 +ATOM 1491 C C . ALA A 1 93 ? 4.728 -9.920 1.848 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 1 +ATOM 1492 O O . ALA A 1 93 ? 5.768 -9.756 1.213 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 1 +ATOM 1493 C CB . ALA A 1 93 ? 3.194 -8.092 2.643 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 1 +ATOM 1494 H H . ALA A 1 93 ? 1.491 -9.723 1.769 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 1 +ATOM 1495 H HA . ALA A 1 93 ? 3.699 -8.517 0.636 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 1 +ATOM 1496 H HB1 . ALA A 1 93 ? 2.301 -7.533 2.402 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 1 +ATOM 1497 H HB2 . ALA A 1 93 ? 4.026 -7.411 2.744 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 1 +ATOM 1498 H HB3 . ALA A 1 93 ? 3.048 -8.625 3.571 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 1 +ATOM 1499 N N . VAL A 1 94 ? 4.604 -10.844 2.788 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 1 +ATOM 1500 C CA . VAL A 1 94 ? 5.745 -11.632 3.236 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 1 +ATOM 1501 C C . VAL A 1 94 ? 6.269 -12.575 2.122 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 1 +ATOM 1502 O O . VAL A 1 94 ? 7.483 -12.718 1.933 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 1 +ATOM 1503 C CB . VAL A 1 94 ? 5.431 -12.413 4.562 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 1 +ATOM 1504 C CG1 . VAL A 1 94 ? 4.418 -13.540 4.369 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 1 +ATOM 1505 C CG2 . VAL A 1 94 ? 6.698 -12.916 5.225 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 1 +ATOM 1506 H H . VAL A 1 94 ? 3.721 -10.994 3.196 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 1 +ATOM 1507 H HA . VAL A 1 94 ? 6.536 -10.924 3.438 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 1 +ATOM 1508 H HB . VAL A 1 94 ? 4.969 -11.701 5.230 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 1 +ATOM 1509 H HG11 . VAL A 1 94 ? 3.488 -13.128 4.004 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 1 +ATOM 1510 H HG12 . VAL A 1 94 ? 4.246 -14.039 5.312 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 1 +ATOM 1511 H HG13 . VAL A 1 94 ? 4.804 -14.249 3.650 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 1 +ATOM 1512 H HG21 . VAL A 1 94 ? 6.447 -13.455 6.127 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 1 +ATOM 1513 H HG22 . VAL A 1 94 ? 7.334 -12.078 5.469 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 1 +ATOM 1514 H HG23 . VAL A 1 94 ? 7.212 -13.573 4.542 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 1 +ATOM 1515 N N . LYS A 1 95 ? 5.355 -13.145 1.343 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 1 +ATOM 1516 C CA . LYS A 1 95 ? 5.719 -14.068 0.264 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 1 +ATOM 1517 C C . LYS A 1 95 ? 6.252 -13.333 -0.956 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 1 +ATOM 1518 O O . LYS A 1 95 ? 7.011 -13.901 -1.759 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 1 +ATOM 1519 C CB . LYS A 1 95 ? 4.523 -14.937 -0.140 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 1 +ATOM 1520 C CG . LYS A 1 95 ? 4.150 -16.035 0.850 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 1 +ATOM 1521 C CD . LYS A 1 95 ? 5.230 -17.109 0.918 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 1 +ATOM 1522 C CE . LYS A 1 95 ? 4.790 -18.297 1.761 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 1 +ATOM 1523 N NZ . LYS A 1 95 ? 4.597 -17.951 3.182 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 1 +ATOM 1524 H H . LYS A 1 95 ? 4.408 -12.938 1.490 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 1 +ATOM 1525 H HA . LYS A 1 95 ? 6.498 -14.714 0.641 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 1 +ATOM 1526 H HB2 . LYS A 1 95 ? 3.663 -14.295 -0.257 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 1 +ATOM 1527 H HB3 . LYS A 1 95 ? 4.742 -15.400 -1.092 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 1 +ATOM 1528 H HG2 . LYS A 1 95 ? 4.029 -15.597 1.829 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 1 +ATOM 1529 H HG3 . LYS A 1 95 ? 3.220 -16.489 0.540 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 1 +ATOM 1530 H HD2 . LYS A 1 95 ? 5.444 -17.453 -0.083 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 1 +ATOM 1531 H HD3 . LYS A 1 95 ? 6.122 -16.685 1.353 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 1 +ATOM 1532 H HE2 . LYS A 1 95 ? 3.852 -18.660 1.367 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 1 +ATOM 1533 H HE3 . LYS A 1 95 ? 5.529 -19.080 1.679 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 1 +ATOM 1534 H HZ1 . LYS A 1 95 ? 5.502 -17.670 3.612 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 1 +ATOM 1535 H HZ2 . LYS A 1 95 ? 4.227 -18.765 3.710 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 1 +ATOM 1536 H HZ3 . LYS A 1 95 ? 3.927 -17.166 3.293 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 1 +ATOM 1537 N N . ARG A 1 96 ? 5.867 -12.087 -1.098 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 1 +ATOM 1538 C CA . ARG A 1 96 ? 6.257 -11.306 -2.245 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 1 +ATOM 1539 C C . ARG A 1 96 ? 7.692 -10.824 -2.103 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 1 +ATOM 1540 O O . ARG A 1 96 ? 8.397 -10.624 -3.104 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 1 +ATOM 1541 C CB . ARG A 1 96 ? 5.336 -10.103 -2.411 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 1 +ATOM 1542 C CG . ARG A 1 96 ? 5.468 -9.415 -3.753 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 1 +ATOM 1543 C CD . ARG A 1 96 ? 4.921 -10.293 -4.872 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 1 +ATOM 1544 N NE . ARG A 1 96 ? 3.481 -10.522 -4.705 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 1 +ATOM 1545 C CZ . ARG A 1 96 ? 2.547 -9.988 -5.493 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 1 +ATOM 1546 N NH1 . ARG A 1 96 ? 2.905 -9.432 -6.652 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 1 +ATOM 1547 N NH2 . ARG A 1 96 ? 1.252 -10.068 -5.170 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 1 +ATOM 1548 H H . ARG A 1 96 ? 5.269 -11.684 -0.429 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 1 +ATOM 1549 H HA . ARG A 1 96 ? 6.173 -11.931 -3.121 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 1 +ATOM 1550 H HB2 . ARG A 1 96 ? 4.314 -10.431 -2.297 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 1 +ATOM 1551 H HB3 . ARG A 1 96 ? 5.564 -9.385 -1.637 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 1 +ATOM 1552 H HG2 . ARG A 1 96 ? 4.917 -8.486 -3.731 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 1 +ATOM 1553 H HG3 . ARG A 1 96 ? 6.512 -9.214 -3.943 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 1 +ATOM 1554 H HD2 . ARG A 1 96 ? 5.096 -9.799 -5.815 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 1 +ATOM 1555 H HD3 . ARG A 1 96 ? 5.431 -11.245 -4.869 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 1 +ATOM 1556 H HE . ARG A 1 96 ? 3.230 -11.060 -3.915 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 1 +ATOM 1557 H HH11 . ARG A 1 96 ? 3.848 -9.393 -6.986 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 1 +ATOM 1558 H HH12 . ARG A 1 96 ? 2.220 -8.996 -7.255 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 1 +ATOM 1559 H HH21 . ARG A 1 96 ? 0.898 -10.533 -4.343 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 1 +ATOM 1560 H HH22 . ARG A 1 96 ? 0.553 -9.614 -5.743 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 1 +ATOM 1561 N N . ILE A 1 97 ? 8.131 -10.649 -0.869 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 1 +ATOM 1562 C CA . ILE A 1 97 ? 9.458 -10.133 -0.617 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 1 +ATOM 1563 C C . ILE A 1 97 ? 10.526 -11.227 -0.748 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 1 +ATOM 1564 O O . ILE A 1 97 ? 10.917 -11.870 0.247 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 1 +ATOM 1565 C CB . ILE A 1 97 ? 9.588 -9.410 0.758 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 1 +ATOM 1566 C CG1 . ILE A 1 97 ? 8.513 -8.313 0.918 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 1 +ATOM 1567 C CG2 . ILE A 1 97 ? 10.974 -8.796 0.904 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 1 +ATOM 1568 C CD1 . ILE A 1 97 ? 8.543 -7.225 -0.142 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 1 +ATOM 1569 H H . ILE A 1 97 ? 7.544 -10.873 -0.116 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 1 +ATOM 1570 H HA . ILE A 1 97 ? 9.651 -9.412 -1.398 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 1 +ATOM 1571 H HB . ILE A 1 97 ? 9.457 -10.146 1.537 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 1 +ATOM 1572 H HG12 . ILE A 1 97 ? 7.535 -8.770 0.880 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 1 +ATOM 1573 H HG13 . ILE A 1 97 ? 8.639 -7.841 1.882 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 1 +ATOM 1574 H HG21 . ILE A 1 97 ? 11.110 -8.031 0.155 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 1 +ATOM 1575 H HG22 . ILE A 1 97 ? 11.715 -9.567 0.758 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 1 +ATOM 1576 H HG23 . ILE A 1 97 ? 11.081 -8.368 1.889 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 1 +ATOM 1577 H HD11 . ILE A 1 97 ? 8.365 -7.659 -1.114 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 1 +ATOM 1578 H HD12 . ILE A 1 97 ? 9.509 -6.743 -0.135 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 1 +ATOM 1579 H HD13 . ILE A 1 97 ? 7.775 -6.495 0.072 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 1 +ATOM 1580 N N . LEU A 1 98 ? 10.857 -11.500 -1.995 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 1 +ATOM 1581 C CA . LEU A 1 98 ? 11.906 -12.344 -2.461 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 1 +ATOM 1582 C C . LEU A 1 98 ? 11.616 -12.473 -3.945 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 1 +ATOM 1583 O O . LEU A 1 98 ? 11.999 -11.575 -4.708 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 1 +ATOM 1584 C CB . LEU A 1 98 ? 11.856 -13.720 -1.799 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 1 +ATOM 1585 C CG . LEU A 1 98 ? 13.144 -14.548 -1.779 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 1 +ATOM 1586 C CD1 . LEU A 1 98 ? 13.693 -14.876 -3.168 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 1 +ATOM 1587 C CD2 . LEU A 1 98 ? 14.209 -13.906 -0.901 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 1 +ATOM 1588 O OXT . LEU A 1 98 ? 10.887 -13.414 -4.333 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 1 +ATOM 1589 H H . LEU A 1 98 ? 10.319 -11.143 -2.727 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 1 +ATOM 1590 H HA . LEU A 1 98 ? 12.857 -11.856 -2.305 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 1 +ATOM 1591 H HB2 . LEU A 1 98 ? 11.554 -13.570 -0.772 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 1 +ATOM 1592 H HB3 . LEU A 1 98 ? 11.088 -14.294 -2.293 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 1 +ATOM 1593 H HG . LEU A 1 98 ? 12.829 -15.453 -1.297 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 1 +ATOM 1594 H HD11 . LEU A 1 98 ? 14.607 -15.441 -3.065 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 1 +ATOM 1595 H HD12 . LEU A 1 98 ? 13.896 -13.960 -3.702 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 1 +ATOM 1596 H HD13 . LEU A 1 98 ? 12.972 -15.461 -3.721 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 1 +ATOM 1597 H HD21 . LEU A 1 98 ? 14.444 -12.920 -1.275 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 1 +ATOM 1598 H HD22 . LEU A 1 98 ? 15.101 -14.515 -0.917 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 1 +ATOM 1599 H HD23 . LEU A 1 98 ? 13.843 -13.829 0.111 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 1 +ATOM 1600 N N . MET A 1 4 ? 10.726 15.915 -2.601 1.00 0.00 ? ? ? ? ? ? 1 MET A N 2 +ATOM 1601 C CA . MET A 1 4 ? 10.985 14.608 -3.191 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 2 +ATOM 1602 C C . MET A 1 4 ? 9.729 13.782 -3.156 1.00 0.00 ? ? ? ? ? ? 1 MET A C 2 +ATOM 1603 O O . MET A 1 4 ? 9.013 13.777 -2.164 1.00 0.00 ? ? ? ? ? ? 1 MET A O 2 +ATOM 1604 C CB . MET A 1 4 ? 12.117 13.889 -2.453 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 2 +ATOM 1605 C CG . MET A 1 4 ? 12.424 12.491 -2.970 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 2 +ATOM 1606 S SD . MET A 1 4 ? 12.894 12.483 -4.711 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 2 +ATOM 1607 C CE . MET A 1 4 ? 13.101 10.732 -4.985 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 2 +ATOM 1608 H H . MET A 1 4 ? 10.407 15.795 -1.620 1.00 0.00 ? ? ? ? ? ? 1 MET A H 2 +ATOM 1609 H HA . MET A 1 4 ? 11.269 14.755 -4.221 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 2 +ATOM 1610 H HB2 . MET A 1 4 ? 13.016 14.479 -2.543 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 2 +ATOM 1611 H HB3 . MET A 1 4 ? 11.835 13.807 -1.416 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 2 +ATOM 1612 H HG2 . MET A 1 4 ? 13.236 12.074 -2.392 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 2 +ATOM 1613 H HG3 . MET A 1 4 ? 11.547 11.874 -2.846 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 2 +ATOM 1614 H HE1 . MET A 1 4 ? 13.394 10.563 -6.011 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 2 +ATOM 1615 H HE2 . MET A 1 4 ? 12.168 10.226 -4.785 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 2 +ATOM 1616 H HE3 . MET A 1 4 ? 13.866 10.356 -4.324 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 2 +ATOM 1617 N N . ALA A 1 5 ? 9.466 13.101 -4.228 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 2 +ATOM 1618 C CA . ALA A 1 5 ? 8.300 12.265 -4.342 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 2 +ATOM 1619 C C . ALA A 1 5 ? 8.678 10.977 -5.035 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 2 +ATOM 1620 O O . ALA A 1 5 ? 9.739 10.887 -5.655 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 2 +ATOM 1621 C CB . ALA A 1 5 ? 7.195 12.981 -5.112 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 2 +ATOM 1622 H H . ALA A 1 5 ? 10.102 13.152 -4.974 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 2 +ATOM 1623 H HA . ALA A 1 5 ? 7.944 12.042 -3.348 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 2 +ATOM 1624 H HB1 . ALA A 1 5 ? 6.328 12.341 -5.174 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 2 +ATOM 1625 H HB2 . ALA A 1 5 ? 7.544 13.212 -6.107 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 2 +ATOM 1626 H HB3 . ALA A 1 5 ? 6.932 13.893 -4.597 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 2 +ATOM 1627 N N . TYR A 1 6 ? 7.841 9.995 -4.924 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 2 +ATOM 1628 C CA . TYR A 1 6 ? 8.077 8.704 -5.532 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 2 +ATOM 1629 C C . TYR A 1 6 ? 6.999 8.425 -6.558 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 2 +ATOM 1630 O O . TYR A 1 6 ? 6.035 9.205 -6.695 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 2 +ATOM 1631 C CB . TYR A 1 6 ? 8.037 7.587 -4.471 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 2 +ATOM 1632 C CG . TYR A 1 6 ? 9.170 7.559 -3.461 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 2 +ATOM 1633 C CD1 . TYR A 1 6 ? 9.398 8.614 -2.586 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 2 +ATOM 1634 C CD2 . TYR A 1 6 ? 9.999 6.451 -3.374 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 2 +ATOM 1635 C CE1 . TYR A 1 6 ? 10.418 8.563 -1.662 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 2 +ATOM 1636 C CE2 . TYR A 1 6 ? 11.013 6.390 -2.448 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 2 +ATOM 1637 C CZ . TYR A 1 6 ? 11.218 7.445 -1.595 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 2 +ATOM 1638 O OH . TYR A 1 6 ? 12.221 7.384 -0.662 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 2 +ATOM 1639 H H . TYR A 1 6 ? 7.009 10.129 -4.425 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 2 +ATOM 1640 H HA . TYR A 1 6 ? 9.048 8.706 -6.003 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 2 +ATOM 1641 H HB2 . TYR A 1 6 ? 7.121 7.681 -3.906 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 2 +ATOM 1642 H HB3 . TYR A 1 6 ? 8.026 6.636 -4.985 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 2 +ATOM 1643 H HD1 . TYR A 1 6 ? 8.767 9.489 -2.643 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 2 +ATOM 1644 H HD2 . TYR A 1 6 ? 9.839 5.622 -4.047 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 2 +ATOM 1645 H HE1 . TYR A 1 6 ? 10.581 9.392 -0.990 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 2 +ATOM 1646 H HE2 . TYR A 1 6 ? 11.647 5.519 -2.396 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 2 +ATOM 1647 H HH . TYR A 1 6 ? 12.972 6.876 -1.018 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 2 +ATOM 1648 N N . PHE A 1 7 ? 7.168 7.356 -7.287 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 2 +ATOM 1649 C CA . PHE A 1 7 ? 6.152 6.876 -8.193 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 2 +ATOM 1650 C C . PHE A 1 7 ? 5.248 5.944 -7.407 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 2 +ATOM 1651 O O . PHE A 1 7 ? 5.638 5.471 -6.347 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 2 +ATOM 1652 C CB . PHE A 1 7 ? 6.785 6.119 -9.373 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 2 +ATOM 1653 C CG . PHE A 1 7 ? 7.675 6.959 -10.247 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 2 +ATOM 1654 C CD1 . PHE A 1 7 ? 7.133 7.800 -11.203 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 2 +ATOM 1655 C CD2 . PHE A 1 7 ? 9.053 6.903 -10.115 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 2 +ATOM 1656 C CE1 . PHE A 1 7 ? 7.948 8.568 -12.010 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 2 +ATOM 1657 C CE2 . PHE A 1 7 ? 9.873 7.667 -10.918 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 2 +ATOM 1658 C CZ . PHE A 1 7 ? 9.320 8.500 -11.867 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 2 +ATOM 1659 H H . PHE A 1 7 ? 8.013 6.857 -7.208 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 2 +ATOM 1660 H HA . PHE A 1 7 ? 5.581 7.718 -8.556 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 2 +ATOM 1661 H HB2 . PHE A 1 7 ? 7.392 5.320 -8.975 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 2 +ATOM 1662 H HB3 . PHE A 1 7 ? 6.008 5.690 -9.987 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 2 +ATOM 1663 H HD1 . PHE A 1 7 ? 6.060 7.852 -11.313 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 2 +ATOM 1664 H HD2 . PHE A 1 7 ? 9.487 6.251 -9.371 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 2 +ATOM 1665 H HE1 . PHE A 1 7 ? 7.509 9.219 -12.751 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 2 +ATOM 1666 H HE2 . PHE A 1 7 ? 10.945 7.614 -10.804 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 2 +ATOM 1667 H HZ . PHE A 1 7 ? 9.961 9.098 -12.498 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 2 +ATOM 1668 N N . LEU A 1 8 ? 4.066 5.697 -7.886 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 2 +ATOM 1669 C CA . LEU A 1 8 ? 3.146 4.813 -7.193 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 2 +ATOM 1670 C C . LEU A 1 8 ? 2.690 3.735 -8.175 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 2 +ATOM 1671 O O . LEU A 1 8 ? 2.270 4.056 -9.301 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 2 +ATOM 1672 C CB . LEU A 1 8 ? 1.929 5.638 -6.676 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 2 +ATOM 1673 C CG . LEU A 1 8 ? 1.070 5.058 -5.511 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 2 +ATOM 1674 C CD1 . LEU A 1 8 ? 0.431 3.720 -5.837 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 2 +ATOM 1675 C CD2 . LEU A 1 8 ? 1.878 4.964 -4.237 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 2 +ATOM 1676 H H . LEU A 1 8 ? 3.787 6.102 -8.735 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 2 +ATOM 1677 H HA . LEU A 1 8 ? 3.658 4.359 -6.358 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 2 +ATOM 1678 H HB2 . LEU A 1 8 ? 2.300 6.601 -6.355 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 2 +ATOM 1679 H HB3 . LEU A 1 8 ? 1.276 5.803 -7.520 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 2 +ATOM 1680 H HG . LEU A 1 8 ? 0.258 5.747 -5.329 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 2 +ATOM 1681 H HD11 . LEU A 1 8 ? 1.203 3.026 -6.140 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 2 +ATOM 1682 H HD12 . LEU A 1 8 ? -0.299 3.832 -6.624 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 2 +ATOM 1683 H HD13 . LEU A 1 8 ? -0.048 3.337 -4.947 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 2 +ATOM 1684 H HD21 . LEU A 1 8 ? 2.741 4.338 -4.404 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 2 +ATOM 1685 H HD22 . LEU A 1 8 ? 1.269 4.524 -3.463 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 2 +ATOM 1686 H HD23 . LEU A 1 8 ? 2.194 5.949 -3.930 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 2 +ATOM 1687 N N . ASP A 1 9 ? 2.786 2.479 -7.793 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 2 +ATOM 1688 C CA . ASP A 1 9 ? 2.292 1.403 -8.646 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 2 +ATOM 1689 C C . ASP A 1 9 ? 1.664 0.323 -7.761 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 2 +ATOM 1690 O O . ASP A 1 9 ? 1.830 0.346 -6.536 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 2 +ATOM 1691 C CB . ASP A 1 9 ? 3.411 0.812 -9.532 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 2 +ATOM 1692 C CG . ASP A 1 9 ? 2.890 0.159 -10.818 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 2 +ATOM 1693 O OD1 . ASP A 1 9 ? 1.767 -0.375 -10.843 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 2 +ATOM 1694 O OD2 . ASP A 1 9 ? 3.571 0.240 -11.852 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 2 +ATOM 1695 H H . ASP A 1 9 ? 3.177 2.250 -6.917 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 2 +ATOM 1696 H HA . ASP A 1 9 ? 1.515 1.823 -9.268 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 2 +ATOM 1697 H HB2 . ASP A 1 9 ? 4.097 1.598 -9.808 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 2 +ATOM 1698 H HB3 . ASP A 1 9 ? 3.944 0.064 -8.965 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 2 +ATOM 1699 N N . PHE A 1 10 ? 0.976 -0.611 -8.365 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 2 +ATOM 1700 C CA . PHE A 1 10 ? 0.244 -1.634 -7.656 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 2 +ATOM 1701 C C . PHE A 1 10 ? 0.597 -3.009 -8.206 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 2 +ATOM 1702 O O . PHE A 1 10 ? 0.788 -3.176 -9.427 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 2 +ATOM 1703 C CB . PHE A 1 10 ? -1.277 -1.447 -7.837 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 2 +ATOM 1704 C CG . PHE A 1 10 ? -1.857 -0.131 -7.384 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 2 +ATOM 1705 C CD1 . PHE A 1 10 ? -1.907 0.956 -8.246 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 2 +ATOM 1706 C CD2 . PHE A 1 10 ? -2.376 0.010 -6.110 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 2 +ATOM 1707 C CE1 . PHE A 1 10 ? -2.456 2.156 -7.840 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 2 +ATOM 1708 C CE2 . PHE A 1 10 ? -2.930 1.208 -5.699 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 2 +ATOM 1709 C CZ . PHE A 1 10 ? -2.968 2.282 -6.566 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 2 +ATOM 1710 H H . PHE A 1 10 ? 1.007 -0.633 -9.350 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 2 +ATOM 1711 H HA . PHE A 1 10 ? 0.476 -1.579 -6.605 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 2 +ATOM 1712 H HB2 . PHE A 1 10 ? -1.511 -1.549 -8.886 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 2 +ATOM 1713 H HB3 . PHE A 1 10 ? -1.783 -2.237 -7.301 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 2 +ATOM 1714 H HD1 . PHE A 1 10 ? -1.505 0.858 -9.244 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 2 +ATOM 1715 H HD2 . PHE A 1 10 ? -2.344 -0.829 -5.431 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 2 +ATOM 1716 H HE1 . PHE A 1 10 ? -2.487 2.995 -8.520 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 2 +ATOM 1717 H HE2 . PHE A 1 10 ? -3.331 1.305 -4.701 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 2 +ATOM 1718 H HZ . PHE A 1 10 ? -3.400 3.219 -6.248 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 2 +ATOM 1719 N N . ASP A 1 11 ? 0.695 -3.968 -7.318 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 2 +ATOM 1720 C CA . ASP A 1 11 ? 0.857 -5.375 -7.670 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 2 +ATOM 1721 C C . ASP A 1 11 ? -0.480 -5.831 -8.236 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 2 +ATOM 1722 O O . ASP A 1 11 ? -1.518 -5.228 -7.912 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 2 +ATOM 1723 C CB . ASP A 1 11 ? 1.183 -6.198 -6.403 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 2 +ATOM 1724 C CG . ASP A 1 11 ? 1.618 -7.630 -6.686 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 2 +ATOM 1725 O OD1 . ASP A 1 11 ? 0.786 -8.455 -7.134 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 2 +ATOM 1726 O OD2 . ASP A 1 11 ? 2.809 -7.941 -6.471 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 2 +ATOM 1727 H H . ASP A 1 11 ? 0.677 -3.731 -6.363 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 2 +ATOM 1728 H HA . ASP A 1 11 ? 1.639 -5.483 -8.407 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 2 +ATOM 1729 H HB2 . ASP A 1 11 ? 1.983 -5.707 -5.869 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 2 +ATOM 1730 H HB3 . ASP A 1 11 ? 0.305 -6.223 -5.774 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 2 +ATOM 1731 N N . GLU A 1 12 ? -0.493 -6.852 -9.070 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 2 +ATOM 1732 C CA . GLU A 1 12 ? -1.744 -7.319 -9.649 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 2 +ATOM 1733 C C . GLU A 1 12 ? -2.705 -7.793 -8.550 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 2 +ATOM 1734 O O . GLU A 1 12 ? -3.927 -7.647 -8.680 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 2 +ATOM 1735 C CB . GLU A 1 12 ? -1.538 -8.448 -10.652 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 2 +ATOM 1736 C CG . GLU A 1 12 ? -0.951 -9.696 -10.043 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 2 +ATOM 1737 C CD . GLU A 1 12 ? -1.265 -10.907 -10.843 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 2 +ATOM 1738 O OE1 . GLU A 1 12 ? -2.412 -11.399 -10.741 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 2 +ATOM 1739 O OE2 . GLU A 1 12 ? -0.389 -11.402 -11.569 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 2 +ATOM 1740 H H . GLU A 1 12 ? 0.348 -7.319 -9.259 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 2 +ATOM 1741 H HA . GLU A 1 12 ? -2.196 -6.477 -10.151 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 2 +ATOM 1742 H HB2 . GLU A 1 12 ? -2.491 -8.702 -11.092 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 2 +ATOM 1743 H HB3 . GLU A 1 12 ? -0.874 -8.104 -11.432 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 2 +ATOM 1744 H HG2 . GLU A 1 12 ? 0.121 -9.580 -9.984 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 2 +ATOM 1745 H HG3 . GLU A 1 12 ? -1.357 -9.819 -9.050 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 2 +ATOM 1746 N N . ARG A 1 13 ? -2.139 -8.335 -7.454 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 2 +ATOM 1747 C CA . ARG A 1 13 ? -2.936 -8.809 -6.330 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 2 +ATOM 1748 C C . ARG A 1 13 ? -3.658 -7.630 -5.721 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 2 +ATOM 1749 O O . ARG A 1 13 ? -4.860 -7.687 -5.455 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 2 +ATOM 1750 C CB . ARG A 1 13 ? -2.051 -9.506 -5.275 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 2 +ATOM 1751 C CG . ARG A 1 13 ? -1.284 -10.700 -5.824 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 2 +ATOM 1752 C CD . ARG A 1 13 ? -0.405 -11.373 -4.774 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 2 +ATOM 1753 N NE . ARG A 1 13 ? 0.458 -12.407 -5.383 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 2 +ATOM 1754 C CZ . ARG A 1 13 ? 0.943 -13.505 -4.767 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 2 +ATOM 1755 N NH1 . ARG A 1 13 ? 0.550 -13.832 -3.534 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 2 +ATOM 1756 N NH2 . ARG A 1 13 ? 1.778 -14.313 -5.423 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 2 +ATOM 1757 H H . ARG A 1 13 ? -1.155 -8.412 -7.418 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 2 +ATOM 1758 H HA . ARG A 1 13 ? -3.666 -9.508 -6.709 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 2 +ATOM 1759 H HB2 . ARG A 1 13 ? -1.337 -8.790 -4.895 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 2 +ATOM 1760 H HB3 . ARG A 1 13 ? -2.675 -9.847 -4.461 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 2 +ATOM 1761 H HG2 . ARG A 1 13 ? -1.998 -11.427 -6.179 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 2 +ATOM 1762 H HG3 . ARG A 1 13 ? -0.670 -10.367 -6.646 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 2 +ATOM 1763 H HD2 . ARG A 1 13 ? 0.217 -10.624 -4.306 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 2 +ATOM 1764 H HD3 . ARG A 1 13 ? -1.034 -11.836 -4.029 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 2 +ATOM 1765 H HE . ARG A 1 13 ? 0.691 -12.203 -6.319 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 2 +ATOM 1766 H HH11 . ARG A 1 13 ? -0.128 -13.291 -3.010 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 2 +ATOM 1767 H HH12 . ARG A 1 13 ? 0.891 -14.634 -3.042 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 2 +ATOM 1768 H HH21 . ARG A 1 13 ? 2.051 -14.131 -6.373 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 2 +ATOM 1769 H HH22 . ARG A 1 13 ? 2.173 -15.133 -5.000 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 2 +ATOM 1770 N N . ALA A 1 14 ? -2.926 -6.532 -5.597 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 2 +ATOM 1771 C CA . ALA A 1 14 ? -3.449 -5.303 -5.056 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 2 +ATOM 1772 C C . ALA A 1 14 ? -4.496 -4.707 -5.980 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 2 +ATOM 1773 O O . ALA A 1 14 ? -5.477 -4.186 -5.516 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 2 +ATOM 1774 C CB . ALA A 1 14 ? -2.333 -4.303 -4.810 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 2 +ATOM 1775 H H . ALA A 1 14 ? -1.992 -6.558 -5.893 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 2 +ATOM 1776 H HA . ALA A 1 14 ? -3.913 -5.532 -4.108 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 2 +ATOM 1777 H HB1 . ALA A 1 14 ? -1.599 -4.735 -4.148 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 2 +ATOM 1778 H HB2 . ALA A 1 14 ? -2.742 -3.409 -4.362 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 2 +ATOM 1779 H HB3 . ALA A 1 14 ? -1.865 -4.051 -5.751 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 2 +ATOM 1780 N N . LEU A 1 15 ? -4.293 -4.831 -7.292 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 2 +ATOM 1781 C CA . LEU A 1 15 ? -5.225 -4.283 -8.272 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 2 +ATOM 1782 C C . LEU A 1 15 ? -6.573 -4.948 -8.178 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 2 +ATOM 1783 O O . LEU A 1 15 ? -7.602 -4.283 -8.216 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 2 +ATOM 1784 C CB . LEU A 1 15 ? -4.679 -4.412 -9.690 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 2 +ATOM 1785 C CG . LEU A 1 15 ? -3.566 -3.445 -10.090 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 2 +ATOM 1786 C CD1 . LEU A 1 15 ? -3.059 -3.787 -11.479 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 2 +ATOM 1787 C CD2 . LEU A 1 15 ? -4.082 -2.006 -10.065 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 2 +ATOM 1788 H H . LEU A 1 15 ? -3.499 -5.310 -7.615 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 2 +ATOM 1789 H HA . LEU A 1 15 ? -5.349 -3.236 -8.045 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 2 +ATOM 1790 H HB2 . LEU A 1 15 ? -4.307 -5.419 -9.809 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 2 +ATOM 1791 H HB3 . LEU A 1 15 ? -5.507 -4.279 -10.366 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 2 +ATOM 1792 H HG . LEU A 1 15 ? -2.747 -3.528 -9.390 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 2 +ATOM 1793 H HD11 . LEU A 1 15 ? -3.876 -3.723 -12.183 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 2 +ATOM 1794 H HD12 . LEU A 1 15 ? -2.655 -4.788 -11.484 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 2 +ATOM 1795 H HD13 . LEU A 1 15 ? -2.291 -3.082 -11.762 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 2 +ATOM 1796 H HD21 . LEU A 1 15 ? -3.294 -1.335 -10.369 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 2 +ATOM 1797 H HD22 . LEU A 1 15 ? -4.407 -1.745 -9.068 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 2 +ATOM 1798 H HD23 . LEU A 1 15 ? -4.915 -1.909 -10.745 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 2 +ATOM 1799 N N . LYS A 1 16 ? -6.558 -6.250 -8.036 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 2 +ATOM 1800 C CA . LYS A 1 16 ? -7.771 -7.031 -7.907 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 2 +ATOM 1801 C C . LYS A 1 16 ? -8.547 -6.606 -6.662 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 2 +ATOM 1802 O O . LYS A 1 16 ? -9.759 -6.394 -6.712 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 2 +ATOM 1803 C CB . LYS A 1 16 ? -7.404 -8.507 -7.845 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 2 +ATOM 1804 C CG . LYS A 1 16 ? -6.844 -9.049 -9.153 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 2 +ATOM 1805 C CD . LYS A 1 16 ? -6.184 -10.398 -8.952 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 2 +ATOM 1806 C CE . LYS A 1 16 ? -5.883 -11.096 -10.287 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 2 +ATOM 1807 N NZ . LYS A 1 16 ? -4.910 -10.375 -11.138 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 2 +ATOM 1808 H H . LYS A 1 16 ? -5.690 -6.709 -8.014 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 2 +ATOM 1809 H HA . LYS A 1 16 ? -8.380 -6.856 -8.782 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 2 +ATOM 1810 H HB2 . LYS A 1 16 ? -6.657 -8.641 -7.077 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 2 +ATOM 1811 H HB3 . LYS A 1 16 ? -8.282 -9.078 -7.585 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 2 +ATOM 1812 H HG2 . LYS A 1 16 ? -7.651 -9.153 -9.864 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 2 +ATOM 1813 H HG3 . LYS A 1 16 ? -6.112 -8.350 -9.530 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 2 +ATOM 1814 H HD2 . LYS A 1 16 ? -5.257 -10.199 -8.431 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 2 +ATOM 1815 H HD3 . LYS A 1 16 ? -6.820 -11.020 -8.339 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 2 +ATOM 1816 H HE2 . LYS A 1 16 ? -5.476 -12.074 -10.082 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 2 +ATOM 1817 H HE3 . LYS A 1 16 ? -6.810 -11.212 -10.828 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 2 +ATOM 1818 H HZ1 . LYS A 1 16 ? -4.960 -10.758 -12.104 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 2 +ATOM 1819 H HZ2 . LYS A 1 16 ? -3.932 -10.584 -10.832 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 2 +ATOM 1820 H HZ3 . LYS A 1 16 ? -5.083 -9.353 -11.177 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 2 +ATOM 1821 N N . GLU A 1 17 ? -7.827 -6.423 -5.575 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 2 +ATOM 1822 C CA . GLU A 1 17 ? -8.414 -5.993 -4.319 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 2 +ATOM 1823 C C . GLU A 1 17 ? -8.901 -4.530 -4.410 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 2 +ATOM 1824 O O . GLU A 1 17 ? -9.964 -4.187 -3.918 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 2 +ATOM 1825 C CB . GLU A 1 17 ? -7.384 -6.165 -3.204 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 2 +ATOM 1826 C CG . GLU A 1 17 ? -6.931 -7.609 -3.008 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 2 +ATOM 1827 C CD . GLU A 1 17 ? -8.020 -8.496 -2.460 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 2 +ATOM 1828 O OE1 . GLU A 1 17 ? -8.962 -8.840 -3.187 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 2 +ATOM 1829 O OE2 . GLU A 1 17 ? -7.987 -8.834 -1.263 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 2 +ATOM 1830 H H . GLU A 1 17 ? -6.859 -6.589 -5.604 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 2 +ATOM 1831 H HA . GLU A 1 17 ? -9.261 -6.632 -4.114 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 2 +ATOM 1832 H HB2 . GLU A 1 17 ? -6.516 -5.567 -3.440 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 2 +ATOM 1833 H HB3 . GLU A 1 17 ? -7.813 -5.815 -2.276 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 2 +ATOM 1834 H HG2 . GLU A 1 17 ? -6.642 -7.998 -3.974 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 2 +ATOM 1835 H HG3 . GLU A 1 17 ? -6.077 -7.641 -2.351 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 2 +ATOM 1836 N N . TRP A 1 18 ? -8.119 -3.709 -5.073 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 2 +ATOM 1837 C CA . TRP A 1 18 ? -8.393 -2.283 -5.279 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 2 +ATOM 1838 C C . TRP A 1 18 ? -9.681 -2.074 -6.090 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 2 +ATOM 1839 O O . TRP A 1 18 ? -10.498 -1.214 -5.767 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 2 +ATOM 1840 C CB . TRP A 1 18 ? -7.174 -1.669 -5.998 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 2 +ATOM 1841 C CG . TRP A 1 18 ? -7.245 -0.215 -6.344 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 2 +ATOM 1842 C CD1 . TRP A 1 18 ? -7.642 0.315 -7.531 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 2 +ATOM 1843 C CD2 . TRP A 1 18 ? -6.861 0.889 -5.517 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 2 +ATOM 1844 N NE1 . TRP A 1 18 ? -7.546 1.679 -7.495 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 2 +ATOM 1845 C CE2 . TRP A 1 18 ? -7.066 2.060 -6.270 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 2 +ATOM 1846 C CE3 . TRP A 1 18 ? -6.369 1.004 -4.212 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 2 +ATOM 1847 C CZ2 . TRP A 1 18 ? -6.794 3.330 -5.765 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 2 +ATOM 1848 C CZ3 . TRP A 1 18 ? -6.100 2.264 -3.713 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 2 +ATOM 1849 C CH2 . TRP A 1 18 ? -6.312 3.408 -4.487 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 2 +ATOM 1850 H H . TRP A 1 18 ? -7.276 -4.066 -5.436 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 2 +ATOM 1851 H HA . TRP A 1 18 ? -8.503 -1.808 -4.315 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 2 +ATOM 1852 H HB2 . TRP A 1 18 ? -6.303 -1.799 -5.375 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 2 +ATOM 1853 H HB3 . TRP A 1 18 ? -7.018 -2.221 -6.913 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 2 +ATOM 1854 H HD1 . TRP A 1 18 ? -7.986 -0.273 -8.370 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 2 +ATOM 1855 H HE1 . TRP A 1 18 ? -7.783 2.269 -8.246 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 2 +ATOM 1856 H HE3 . TRP A 1 18 ? -6.199 0.131 -3.600 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 2 +ATOM 1857 H HZ2 . TRP A 1 18 ? -6.954 4.224 -6.349 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 2 +ATOM 1858 H HZ3 . TRP A 1 18 ? -5.718 2.375 -2.709 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 2 +ATOM 1859 H HH2 . TRP A 1 18 ? -6.085 4.371 -4.054 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 2 +ATOM 1860 N N . ARG A 1 19 ? -9.849 -2.859 -7.143 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 2 +ATOM 1861 C CA . ARG A 1 19 ? -11.049 -2.770 -7.977 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 2 +ATOM 1862 C C . ARG A 1 19 ? -12.243 -3.414 -7.282 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 2 +ATOM 1863 O O . ARG A 1 19 ? -13.395 -3.164 -7.628 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 2 +ATOM 1864 C CB . ARG A 1 19 ? -10.817 -3.399 -9.341 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 2 +ATOM 1865 C CG . ARG A 1 19 ? -9.654 -2.781 -10.095 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 2 +ATOM 1866 C CD . ARG A 1 19 ? -9.485 -3.417 -11.448 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 2 +ATOM 1867 N NE . ARG A 1 19 ? -10.574 -3.053 -12.373 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 2 +ATOM 1868 C CZ . ARG A 1 19 ? -11.162 -3.887 -13.238 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 2 +ATOM 1869 N NH1 . ARG A 1 19 ? -10.936 -5.190 -13.167 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 2 +ATOM 1870 N NH2 . ARG A 1 19 ? -12.017 -3.406 -14.140 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 2 +ATOM 1871 H H . ARG A 1 19 ? -9.141 -3.504 -7.365 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 2 +ATOM 1872 H HA . ARG A 1 19 ? -11.266 -1.721 -8.106 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 2 +ATOM 1873 H HB2 . ARG A 1 19 ? -10.614 -4.451 -9.206 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 2 +ATOM 1874 H HB3 . ARG A 1 19 ? -11.708 -3.287 -9.939 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 2 +ATOM 1875 H HG2 . ARG A 1 19 ? -9.841 -1.726 -10.223 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 2 +ATOM 1876 H HG3 . ARG A 1 19 ? -8.751 -2.923 -9.519 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 2 +ATOM 1877 H HD2 . ARG A 1 19 ? -8.537 -3.109 -11.863 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 2 +ATOM 1878 H HD3 . ARG A 1 19 ? -9.490 -4.487 -11.301 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 2 +ATOM 1879 H HE . ARG A 1 19 ? -10.822 -2.099 -12.368 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 2 +ATOM 1880 H HH11 . ARG A 1 19 ? -10.333 -5.608 -12.481 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 2 +ATOM 1881 H HH12 . ARG A 1 19 ? -11.357 -5.859 -13.786 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 2 +ATOM 1882 H HH21 . ARG A 1 19 ? -12.227 -2.425 -14.169 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 2 +ATOM 1883 H HH22 . ARG A 1 19 ? -12.461 -3.984 -14.834 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 2 +ATOM 1884 N N . LYS A 1 20 ? -11.946 -4.276 -6.334 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 2 +ATOM 1885 C CA . LYS A 1 20 ? -12.956 -4.917 -5.502 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 2 +ATOM 1886 C C . LYS A 1 20 ? -13.491 -3.906 -4.480 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 2 +ATOM 1887 O O . LYS A 1 20 ? -14.671 -3.926 -4.118 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 2 +ATOM 1888 C CB . LYS A 1 20 ? -12.325 -6.102 -4.772 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 2 +ATOM 1889 C CG . LYS A 1 20 ? -13.274 -6.907 -3.906 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 2 +ATOM 1890 C CD . LYS A 1 20 ? -12.534 -7.976 -3.118 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 2 +ATOM 1891 C CE . LYS A 1 20 ? -11.647 -7.373 -2.032 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 2 +ATOM 1892 N NZ . LYS A 1 20 ? -10.881 -8.408 -1.319 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 2 +ATOM 1893 H H . LYS A 1 20 ? -11.002 -4.511 -6.214 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 2 +ATOM 1894 H HA . LYS A 1 20 ? -13.759 -5.267 -6.131 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 2 +ATOM 1895 H HB2 . LYS A 1 20 ? -11.893 -6.768 -5.505 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 2 +ATOM 1896 H HB3 . LYS A 1 20 ? -11.533 -5.717 -4.148 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 2 +ATOM 1897 H HG2 . LYS A 1 20 ? -13.771 -6.239 -3.218 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 2 +ATOM 1898 H HG3 . LYS A 1 20 ? -14.007 -7.379 -4.541 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 2 +ATOM 1899 H HD2 . LYS A 1 20 ? -13.249 -8.637 -2.654 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 2 +ATOM 1900 H HD3 . LYS A 1 20 ? -11.912 -8.532 -3.803 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 2 +ATOM 1901 H HE2 . LYS A 1 20 ? -10.950 -6.681 -2.480 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 2 +ATOM 1902 H HE3 . LYS A 1 20 ? -12.271 -6.846 -1.324 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 2 +ATOM 1903 H HZ1 . LYS A 1 20 ? -10.176 -8.829 -1.969 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 2 +ATOM 1904 H HZ2 . LYS A 1 20 ? -11.508 -9.163 -0.981 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 2 +ATOM 1905 H HZ3 . LYS A 1 20 ? -10.372 -8.007 -0.505 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 2 +ATOM 1906 N N . LEU A 1 21 ? -12.598 -3.050 -4.019 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 2 +ATOM 1907 C CA . LEU A 1 21 ? -12.904 -1.990 -3.062 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 2 +ATOM 1908 C C . LEU A 1 21 ? -13.895 -0.990 -3.609 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 2 +ATOM 1909 O O . LEU A 1 21 ? -14.033 -0.823 -4.832 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 2 +ATOM 1910 C CB . LEU A 1 21 ? -11.636 -1.230 -2.676 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 2 +ATOM 1911 C CG . LEU A 1 21 ? -11.061 -1.491 -1.292 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 2 +ATOM 1912 C CD1 . LEU A 1 21 ? -10.696 -2.949 -1.100 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 2 +ATOM 1913 C CD2 . LEU A 1 21 ? -9.862 -0.599 -1.064 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 2 +ATOM 1914 H H . LEU A 1 21 ? -11.675 -3.148 -4.337 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 2 +ATOM 1915 H HA . LEU A 1 21 ? -13.306 -2.439 -2.167 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 2 +ATOM 1916 H HB2 . LEU A 1 21 ? -10.873 -1.467 -3.402 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 2 +ATOM 1917 H HB3 . LEU A 1 21 ? -11.853 -0.175 -2.752 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 2 +ATOM 1918 H HG . LEU A 1 21 ? -11.804 -1.230 -0.555 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 2 +ATOM 1919 H HD11 . LEU A 1 21 ? -9.932 -3.231 -1.812 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 2 +ATOM 1920 H HD12 . LEU A 1 21 ? -11.577 -3.552 -1.263 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 2 +ATOM 1921 H HD13 . LEU A 1 21 ? -10.336 -3.102 -0.096 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 2 +ATOM 1922 H HD21 . LEU A 1 21 ? -10.188 0.431 -1.130 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 2 +ATOM 1923 H HD22 . LEU A 1 21 ? -9.115 -0.797 -1.819 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 2 +ATOM 1924 H HD23 . LEU A 1 21 ? -9.453 -0.782 -0.082 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 2 +ATOM 1925 N N . GLY A 1 22 ? -14.564 -0.315 -2.703 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 2 +ATOM 1926 C CA . GLY A 1 22 ? -15.476 0.721 -3.078 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 2 +ATOM 1927 C C . GLY A 1 22 ? -14.720 1.914 -3.610 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 2 +ATOM 1928 O O . GLY A 1 22 ? -13.582 2.168 -3.175 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 2 +ATOM 1929 H H . GLY A 1 22 ? -14.419 -0.521 -1.758 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 2 +ATOM 1930 H HA2 . GLY A 1 22 ? -16.139 0.345 -3.845 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 2 +ATOM 1931 H HA3 . GLY A 1 22 ? -16.051 1.025 -2.218 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 2 +ATOM 1932 N N . SER A 1 23 ? -15.338 2.646 -4.519 1.00 0.00 ? ? ? ? ? ? 20 SER A N 2 +ATOM 1933 C CA . SER A 1 23 ? -14.698 3.764 -5.189 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 2 +ATOM 1934 C C . SER A 1 23 ? -14.209 4.812 -4.199 1.00 0.00 ? ? ? ? ? ? 20 SER A C 2 +ATOM 1935 O O . SER A 1 23 ? -13.066 5.193 -4.230 1.00 0.00 ? ? ? ? ? ? 20 SER A O 2 +ATOM 1936 C CB . SER A 1 23 ? -15.644 4.397 -6.214 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 2 +ATOM 1937 O OG . SER A 1 23 ? -14.987 5.395 -6.991 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 2 +ATOM 1938 H H . SER A 1 23 ? -16.265 2.414 -4.739 1.00 0.00 ? ? ? ? ? ? 20 SER A H 2 +ATOM 1939 H HA . SER A 1 23 ? -13.842 3.371 -5.717 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 2 +ATOM 1940 H HB2 . SER A 1 23 ? -16.019 3.635 -6.879 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 2 +ATOM 1941 H HB3 . SER A 1 23 ? -16.473 4.853 -5.691 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 2 +ATOM 1942 H HG . SER A 1 23 ? -14.675 6.127 -6.431 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 2 +ATOM 1943 N N . THR A 1 24 ? -15.045 5.208 -3.297 1.00 0.00 ? ? ? ? ? ? 21 THR A N 2 +ATOM 1944 C CA . THR A 1 24 ? -14.707 6.245 -2.360 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 2 +ATOM 1945 C C . THR A 1 24 ? -13.630 5.743 -1.394 1.00 0.00 ? ? ? ? ? ? 21 THR A C 2 +ATOM 1946 O O . THR A 1 24 ? -12.677 6.454 -1.100 1.00 0.00 ? ? ? ? ? ? 21 THR A O 2 +ATOM 1947 C CB . THR A 1 24 ? -15.962 6.695 -1.601 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 2 +ATOM 1948 O OG1 . THR A 1 24 ? -17.009 6.931 -2.562 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 2 +ATOM 1949 C CG2 . THR A 1 24 ? -15.707 7.991 -0.846 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 2 +ATOM 1950 H H . THR A 1 24 ? -15.919 4.777 -3.225 1.00 0.00 ? ? ? ? ? ? 21 THR A H 2 +ATOM 1951 H HA . THR A 1 24 ? -14.314 7.081 -2.919 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 2 +ATOM 1952 H HB . THR A 1 24 ? -16.259 5.924 -0.906 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 2 +ATOM 1953 H HG1 . THR A 1 24 ? -17.384 7.791 -2.335 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 2 +ATOM 1954 H HG21 . THR A 1 24 ? -16.604 8.287 -0.323 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 2 +ATOM 1955 H HG22 . THR A 1 24 ? -15.427 8.766 -1.545 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 2 +ATOM 1956 H HG23 . THR A 1 24 ? -14.908 7.842 -0.135 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 2 +ATOM 1957 N N . VAL A 1 25 ? -13.740 4.474 -1.002 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 2 +ATOM 1958 C CA . VAL A 1 25 ? -12.785 3.859 -0.098 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 2 +ATOM 1959 C C . VAL A 1 25 ? -11.392 3.860 -0.720 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 2 +ATOM 1960 O O . VAL A 1 25 ? -10.412 4.273 -0.087 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 2 +ATOM 1961 C CB . VAL A 1 25 ? -13.214 2.414 0.258 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 2 +ATOM 1962 C CG1 . VAL A 1 25 ? -12.163 1.724 1.098 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 2 +ATOM 1963 C CG2 . VAL A 1 25 ? -14.534 2.431 0.998 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 2 +ATOM 1964 H H . VAL A 1 25 ? -14.484 3.932 -1.342 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 2 +ATOM 1965 H HA . VAL A 1 25 ? -12.761 4.449 0.808 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 2 +ATOM 1966 H HB . VAL A 1 25 ? -13.350 1.859 -0.658 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 2 +ATOM 1967 H HG11 . VAL A 1 25 ? -12.021 2.272 2.018 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 2 +ATOM 1968 H HG12 . VAL A 1 25 ? -11.231 1.692 0.555 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 2 +ATOM 1969 H HG13 . VAL A 1 25 ? -12.482 0.718 1.326 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 2 +ATOM 1970 H HG21 . VAL A 1 25 ? -14.425 3.007 1.905 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 2 +ATOM 1971 H HG22 . VAL A 1 25 ? -14.824 1.422 1.250 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 2 +ATOM 1972 H HG23 . VAL A 1 25 ? -15.290 2.885 0.376 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 2 +ATOM 1973 N N . ARG A 1 26 ? -11.314 3.450 -1.972 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 2 +ATOM 1974 C CA . ARG A 1 26 ? -10.052 3.456 -2.669 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 2 +ATOM 1975 C C . ARG A 1 26 ? -9.574 4.898 -2.895 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 2 +ATOM 1976 O O . ARG A 1 26 ? -8.389 5.170 -2.845 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 2 +ATOM 1977 C CB . ARG A 1 26 ? -10.089 2.669 -3.990 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 2 +ATOM 1978 C CG . ARG A 1 26 ? -11.070 3.196 -5.009 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 2 +ATOM 1979 C CD . ARG A 1 26 ? -10.738 2.737 -6.399 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 2 +ATOM 1980 N NE . ARG A 1 26 ? -11.555 3.423 -7.410 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 2 +ATOM 1981 C CZ . ARG A 1 26 ? -11.839 2.937 -8.622 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 2 +ATOM 1982 N NH1 . ARG A 1 26 ? -11.417 1.728 -8.969 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 2 +ATOM 1983 N NH2 . ARG A 1 26 ? -12.546 3.659 -9.474 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 2 +ATOM 1984 H H . ARG A 1 26 ? -12.133 3.132 -2.417 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 2 +ATOM 1985 H HA . ARG A 1 26 ? -9.343 2.992 -2.001 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 2 +ATOM 1986 H HB2 . ARG A 1 26 ? -9.103 2.680 -4.431 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 2 +ATOM 1987 H HB3 . ARG A 1 26 ? -10.358 1.647 -3.761 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 2 +ATOM 1988 H HG2 . ARG A 1 26 ? -12.027 2.770 -4.745 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 2 +ATOM 1989 H HG3 . ARG A 1 26 ? -11.165 4.271 -4.964 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 2 +ATOM 1990 H HD2 . ARG A 1 26 ? -9.696 2.961 -6.577 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 2 +ATOM 1991 H HD3 . ARG A 1 26 ? -10.900 1.673 -6.469 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 2 +ATOM 1992 H HE . ARG A 1 26 ? -11.887 4.316 -7.160 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 2 +ATOM 1993 H HH11 . ARG A 1 26 ? -10.890 1.155 -8.341 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 2 +ATOM 1994 H HH12 . ARG A 1 26 ? -11.619 1.334 -9.872 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 2 +ATOM 1995 H HH21 . ARG A 1 26 ? -12.878 4.577 -9.237 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 2 +ATOM 1996 H HH22 . ARG A 1 26 ? -12.799 3.328 -10.387 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 2 +ATOM 1997 N N . GLU A 1 27 ? -10.507 5.814 -3.137 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 2 +ATOM 1998 C CA . GLU A 1 27 ? -10.173 7.214 -3.340 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 2 +ATOM 1999 C C . GLU A 1 27 ? -9.545 7.851 -2.097 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 2 +ATOM 2000 O O . GLU A 1 27 ? -8.597 8.622 -2.228 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 2 +ATOM 2001 C CB . GLU A 1 27 ? -11.360 8.016 -3.876 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 2 +ATOM 2002 C CG . GLU A 1 27 ? -11.748 7.610 -5.295 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 2 +ATOM 2003 C CD . GLU A 1 27 ? -12.939 8.358 -5.837 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 2 +ATOM 2004 O OE1 . GLU A 1 27 ? -12.761 9.513 -6.301 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 2 +ATOM 2005 O OE2 . GLU A 1 27 ? -14.072 7.825 -5.820 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 2 +ATOM 2006 H H . GLU A 1 27 ? -11.451 5.543 -3.189 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 2 +ATOM 2007 H HA . GLU A 1 27 ? -9.399 7.209 -4.095 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 2 +ATOM 2008 H HB2 . GLU A 1 27 ? -12.209 7.862 -3.225 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 2 +ATOM 2009 H HB3 . GLU A 1 27 ? -11.102 9.065 -3.880 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 2 +ATOM 2010 H HG2 . GLU A 1 27 ? -10.906 7.789 -5.947 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 2 +ATOM 2011 H HG3 . GLU A 1 27 ? -11.973 6.553 -5.294 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 2 +ATOM 2012 N N . GLN A 1 28 ? -10.040 7.520 -0.896 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 2 +ATOM 2013 C CA . GLN A 1 28 ? -9.387 8.002 0.338 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 2 +ATOM 2014 C C . GLN A 1 28 ? -7.986 7.434 0.451 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 2 +ATOM 2015 O O . GLN A 1 28 ? -7.046 8.145 0.814 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 2 +ATOM 2016 C CB . GLN A 1 28 ? -10.162 7.692 1.630 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 2 +ATOM 2017 C CG . GLN A 1 28 ? -11.282 8.664 2.003 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 2 +ATOM 2018 C CD . GLN A 1 28 ? -12.477 8.612 1.096 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 2 +ATOM 2019 O OE1 . GLN A 1 28 ? -13.396 7.844 1.330 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 2 +ATOM 2020 N NE2 . GLN A 1 28 ? -12.508 9.457 0.105 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 2 +ATOM 2021 H H . GLN A 1 28 ? -10.854 6.966 -0.845 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 2 +ATOM 2022 H HA . GLN A 1 28 ? -9.291 9.072 0.229 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 2 +ATOM 2023 H HB2 . GLN A 1 28 ? -10.606 6.712 1.532 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 2 +ATOM 2024 H HB3 . GLN A 1 28 ? -9.456 7.663 2.447 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 2 +ATOM 2025 H HG2 . GLN A 1 28 ? -11.616 8.440 3.004 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 2 +ATOM 2026 H HG3 . GLN A 1 28 ? -10.878 9.666 1.989 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 2 +ATOM 2027 H HE21 . GLN A 1 28 ? -11.764 10.084 0.012 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 2 +ATOM 2028 H HE22 . GLN A 1 28 ? -13.272 9.440 -0.506 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 2 +ATOM 2029 N N . LEU A 1 29 ? -7.845 6.162 0.114 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 2 +ATOM 2030 C CA . LEU A 1 29 ? -6.550 5.501 0.132 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 2 +ATOM 2031 C C . LEU A 1 29 ? -5.603 6.160 -0.862 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 2 +ATOM 2032 O O . LEU A 1 29 ? -4.441 6.390 -0.560 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 2 +ATOM 2033 C CB . LEU A 1 29 ? -6.693 4.009 -0.160 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 2 +ATOM 2034 C CG . LEU A 1 29 ? -7.466 3.186 0.883 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 2 +ATOM 2035 C CD1 . LEU A 1 29 ? -7.572 1.750 0.446 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 2 +ATOM 2036 C CD2 . LEU A 1 29 ? -6.796 3.270 2.249 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 2 +ATOM 2037 H H . LEU A 1 29 ? -8.645 5.652 -0.141 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 2 +ATOM 2038 H HA . LEU A 1 29 ? -6.137 5.630 1.122 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 2 +ATOM 2039 H HB2 . LEU A 1 29 ? -7.197 3.914 -1.110 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 2 +ATOM 2040 H HB3 . LEU A 1 29 ? -5.703 3.592 -0.260 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 2 +ATOM 2041 H HG . LEU A 1 29 ? -8.474 3.563 0.973 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 2 +ATOM 2042 H HD11 . LEU A 1 29 ? -8.096 1.692 -0.496 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 2 +ATOM 2043 H HD12 . LEU A 1 29 ? -8.110 1.184 1.191 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 2 +ATOM 2044 H HD13 . LEU A 1 29 ? -6.582 1.335 0.328 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 2 +ATOM 2045 H HD21 . LEU A 1 29 ? -7.337 2.655 2.953 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 2 +ATOM 2046 H HD22 . LEU A 1 29 ? -6.807 4.294 2.594 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 2 +ATOM 2047 H HD23 . LEU A 1 29 ? -5.776 2.924 2.174 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 2 +ATOM 2048 N N . LYS A 1 30 ? -6.127 6.483 -2.037 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 2 +ATOM 2049 C CA . LYS A 1 30 ? -5.381 7.199 -3.064 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 2 +ATOM 2050 C C . LYS A 1 30 ? -4.900 8.556 -2.536 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 2 +ATOM 2051 O O . LYS A 1 30 ? -3.764 8.970 -2.791 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 2 +ATOM 2052 C CB . LYS A 1 30 ? -6.250 7.423 -4.292 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 2 +ATOM 2053 C CG . LYS A 1 30 ? -5.527 8.143 -5.418 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 2 +ATOM 2054 C CD . LYS A 1 30 ? -6.472 8.554 -6.524 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 2 +ATOM 2055 C CE . LYS A 1 30 ? -7.416 9.661 -6.065 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 2 +ATOM 2056 N NZ . LYS A 1 30 ? -8.356 10.054 -7.127 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 2 +ATOM 2057 H H . LYS A 1 30 ? -7.045 6.180 -2.225 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 2 +ATOM 2058 H HA . LYS A 1 30 ? -4.525 6.606 -3.343 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 2 +ATOM 2059 H HB2 . LYS A 1 30 ? -6.591 6.466 -4.656 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 2 +ATOM 2060 H HB3 . LYS A 1 30 ? -7.104 8.011 -3.993 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 2 +ATOM 2061 H HG2 . LYS A 1 30 ? -5.082 9.031 -4.995 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 2 +ATOM 2062 H HG3 . LYS A 1 30 ? -4.757 7.500 -5.815 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 2 +ATOM 2063 H HD2 . LYS A 1 30 ? -5.895 8.905 -7.366 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 2 +ATOM 2064 H HD3 . LYS A 1 30 ? -7.054 7.693 -6.819 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 2 +ATOM 2065 H HE2 . LYS A 1 30 ? -7.978 9.333 -5.204 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 2 +ATOM 2066 H HE3 . LYS A 1 30 ? -6.813 10.517 -5.794 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 2 +ATOM 2067 H HZ1 . LYS A 1 30 ? -8.910 9.247 -7.473 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 2 +ATOM 2068 H HZ2 . LYS A 1 30 ? -7.845 10.473 -7.930 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 2 +ATOM 2069 H HZ3 . LYS A 1 30 ? -9.018 10.776 -6.777 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 2 +ATOM 2070 N N . LYS A 1 31 ? -5.775 9.243 -1.813 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 2 +ATOM 2071 C CA . LYS A 1 31 ? -5.429 10.519 -1.193 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 2 +ATOM 2072 C C . LYS A 1 31 ? -4.270 10.350 -0.232 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 2 +ATOM 2073 O O . LYS A 1 31 ? -3.395 11.213 -0.137 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 2 +ATOM 2074 C CB . LYS A 1 31 ? -6.633 11.152 -0.500 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 2 +ATOM 2075 C CG . LYS A 1 31 ? -7.723 11.550 -1.467 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 2 +ATOM 2076 C CD . LYS A 1 31 ? -8.914 12.162 -0.765 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 2 +ATOM 2077 C CE . LYS A 1 31 ? -9.947 12.589 -1.782 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 2 +ATOM 2078 N NZ . LYS A 1 31 ? -11.126 13.241 -1.174 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 2 +ATOM 2079 H H . LYS A 1 31 ? -6.680 8.875 -1.714 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 2 +ATOM 2080 H HA . LYS A 1 31 ? -5.110 11.167 -1.997 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 2 +ATOM 2081 H HB2 . LYS A 1 31 ? -7.046 10.447 0.208 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 2 +ATOM 2082 H HB3 . LYS A 1 31 ? -6.309 12.036 0.029 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 2 +ATOM 2083 H HG2 . LYS A 1 31 ? -7.323 12.273 -2.162 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 2 +ATOM 2084 H HG3 . LYS A 1 31 ? -8.045 10.673 -2.009 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 2 +ATOM 2085 H HD2 . LYS A 1 31 ? -9.348 11.432 -0.097 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 2 +ATOM 2086 H HD3 . LYS A 1 31 ? -8.586 13.025 -0.206 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 2 +ATOM 2087 H HE2 . LYS A 1 31 ? -9.475 13.270 -2.475 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 2 +ATOM 2088 H HE3 . LYS A 1 31 ? -10.256 11.699 -2.309 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 2 +ATOM 2089 H HZ1 . LYS A 1 31 ? -10.858 14.062 -0.594 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 2 +ATOM 2090 H HZ2 . LYS A 1 31 ? -11.683 12.591 -0.585 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 2 +ATOM 2091 H HZ3 . LYS A 1 31 ? -11.756 13.587 -1.926 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 2 +ATOM 2092 N N . LYS A 1 32 ? -4.254 9.232 0.458 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 2 +ATOM 2093 C CA . LYS A 1 32 ? -3.137 8.905 1.321 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 2 +ATOM 2094 C C . LYS A 1 32 ? -1.881 8.600 0.542 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 2 +ATOM 2095 O O . LYS A 1 32 ? -0.800 8.981 0.950 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 2 +ATOM 2096 C CB . LYS A 1 32 ? -3.439 7.793 2.311 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 2 +ATOM 2097 C CG . LYS A 1 32 ? -4.046 8.267 3.618 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 2 +ATOM 2098 C CD . LYS A 1 32 ? -5.393 8.911 3.446 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 2 +ATOM 2099 C CE . LYS A 1 32 ? -5.863 9.478 4.754 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 2 +ATOM 2100 N NZ . LYS A 1 32 ? -4.984 10.586 5.219 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 2 +ATOM 2101 H H . LYS A 1 32 ? -5.031 8.637 0.379 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 2 +ATOM 2102 H HA . LYS A 1 32 ? -2.936 9.801 1.884 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 2 +ATOM 2103 H HB2 . LYS A 1 32 ? -4.111 7.081 1.858 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 2 +ATOM 2104 H HB3 . LYS A 1 32 ? -2.505 7.304 2.542 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 2 +ATOM 2105 H HG2 . LYS A 1 32 ? -4.161 7.419 4.276 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 2 +ATOM 2106 H HG3 . LYS A 1 32 ? -3.372 8.977 4.074 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 2 +ATOM 2107 H HD2 . LYS A 1 32 ? -5.316 9.706 2.720 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 2 +ATOM 2108 H HD3 . LYS A 1 32 ? -6.101 8.171 3.103 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 2 +ATOM 2109 H HE2 . LYS A 1 32 ? -6.883 9.818 4.657 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 2 +ATOM 2110 H HE3 . LYS A 1 32 ? -5.804 8.665 5.465 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 2 +ATOM 2111 H HZ1 . LYS A 1 32 ? -4.830 11.293 4.468 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 2 +ATOM 2112 H HZ2 . LYS A 1 32 ? -4.057 10.244 5.538 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 2 +ATOM 2113 H HZ3 . LYS A 1 32 ? -5.430 11.072 6.024 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 2 +ATOM 2114 N N . LEU A 1 33 ? -2.028 7.935 -0.578 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 2 +ATOM 2115 C CA . LEU A 1 33 ? -0.898 7.605 -1.434 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 2 +ATOM 2116 C C . LEU A 1 33 ? -0.232 8.872 -1.953 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 2 +ATOM 2117 O O . LEU A 1 33 ? 0.989 9.034 -1.856 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 2 +ATOM 2118 C CB . LEU A 1 33 ? -1.357 6.749 -2.624 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 2 +ATOM 2119 C CG . LEU A 1 33 ? -2.041 5.427 -2.282 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 2 +ATOM 2120 C CD1 . LEU A 1 33 ? -2.475 4.700 -3.540 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 2 +ATOM 2121 C CD2 . LEU A 1 33 ? -1.124 4.556 -1.449 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 2 +ATOM 2122 H H . LEU A 1 33 ? -2.926 7.629 -0.830 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 2 +ATOM 2123 H HA . LEU A 1 33 ? -0.186 7.039 -0.853 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 2 +ATOM 2124 H HB2 . LEU A 1 33 ? -2.047 7.337 -3.211 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 2 +ATOM 2125 H HB3 . LEU A 1 33 ? -0.493 6.532 -3.233 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 2 +ATOM 2126 H HG . LEU A 1 33 ? -2.927 5.634 -1.700 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 2 +ATOM 2127 H HD11 . LEU A 1 33 ? -3.155 5.321 -4.103 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 2 +ATOM 2128 H HD12 . LEU A 1 33 ? -2.971 3.778 -3.272 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 2 +ATOM 2129 H HD13 . LEU A 1 33 ? -1.607 4.483 -4.144 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 2 +ATOM 2130 H HD21 . LEU A 1 33 ? -1.612 3.617 -1.237 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 2 +ATOM 2131 H HD22 . LEU A 1 33 ? -0.922 5.072 -0.521 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 2 +ATOM 2132 H HD23 . LEU A 1 33 ? -0.198 4.381 -1.975 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 2 +ATOM 2133 N N . VAL A 1 34 ? -1.045 9.790 -2.446 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 2 +ATOM 2134 C CA . VAL A 1 34 ? -0.538 11.012 -3.023 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 2 +ATOM 2135 C C . VAL A 1 34 ? 0.161 11.889 -1.958 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 2 +ATOM 2136 O O . VAL A 1 34 ? 1.228 12.450 -2.227 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 2 +ATOM 2137 C CB . VAL A 1 34 ? -1.644 11.792 -3.833 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 2 +ATOM 2138 C CG1 . VAL A 1 34 ? -2.731 12.372 -2.955 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 2 +ATOM 2139 C CG2 . VAL A 1 34 ? -1.051 12.855 -4.739 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 2 +ATOM 2140 H H . VAL A 1 34 ? -2.014 9.614 -2.422 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 2 +ATOM 2141 H HA . VAL A 1 34 ? 0.236 10.703 -3.713 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 2 +ATOM 2142 H HB . VAL A 1 34 ? -2.128 11.058 -4.463 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 2 +ATOM 2143 H HG11 . VAL A 1 34 ? -3.188 11.577 -2.387 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 2 +ATOM 2144 H HG12 . VAL A 1 34 ? -3.476 12.854 -3.571 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 2 +ATOM 2145 H HG13 . VAL A 1 34 ? -2.300 13.095 -2.279 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 2 +ATOM 2146 H HG21 . VAL A 1 34 ? -1.863 13.329 -5.272 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 2 +ATOM 2147 H HG22 . VAL A 1 34 ? -0.377 12.393 -5.446 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 2 +ATOM 2148 H HG23 . VAL A 1 34 ? -0.528 13.589 -4.146 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 2 +ATOM 2149 N N . GLU A 1 35 ? -0.420 11.978 -0.750 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 2 +ATOM 2150 C CA . GLU A 1 35 ? 0.196 12.744 0.339 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 2 +ATOM 2151 C C . GLU A 1 35 ? 1.476 12.063 0.862 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 2 +ATOM 2152 O O . GLU A 1 35 ? 2.506 12.710 1.032 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 2 +ATOM 2153 C CB . GLU A 1 35 ? -0.797 13.036 1.505 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 2 +ATOM 2154 C CG . GLU A 1 35 ? -1.320 11.799 2.216 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 2 +ATOM 2155 C CD . GLU A 1 35 ? -2.277 12.080 3.359 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 2 +ATOM 2156 O OE1 . GLU A 1 35 ? -1.823 12.353 4.471 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 2 +ATOM 2157 O OE2 . GLU A 1 35 ? -3.515 11.996 3.173 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 2 +ATOM 2158 H H . GLU A 1 35 ? -1.278 11.524 -0.597 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 2 +ATOM 2159 H HA . GLU A 1 35 ? 0.495 13.684 -0.103 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 2 +ATOM 2160 H HB2 . GLU A 1 35 ? -0.304 13.659 2.236 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 2 +ATOM 2161 H HB3 . GLU A 1 35 ? -1.640 13.579 1.105 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 2 +ATOM 2162 H HG2 . GLU A 1 35 ? -1.826 11.216 1.464 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 2 +ATOM 2163 H HG3 . GLU A 1 35 ? -0.475 11.236 2.587 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 2 +ATOM 2164 N N . VAL A 1 36 ? 1.414 10.744 1.046 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 2 +ATOM 2165 C CA . VAL A 1 36 ? 2.489 9.975 1.665 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 2 +ATOM 2166 C C . VAL A 1 36 ? 3.786 10.027 0.858 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 2 +ATOM 2167 O O . VAL A 1 36 ? 4.850 9.965 1.420 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 2 +ATOM 2168 C CB . VAL A 1 36 ? 2.090 8.505 2.018 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 2 +ATOM 2169 C CG1 . VAL A 1 36 ? 2.104 7.571 0.811 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 2 +ATOM 2170 C CG2 . VAL A 1 36 ? 2.939 7.972 3.155 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 2 +ATOM 2171 H H . VAL A 1 36 ? 0.606 10.254 0.771 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 2 +ATOM 2172 H HA . VAL A 1 36 ? 2.699 10.495 2.589 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 2 +ATOM 2173 H HB . VAL A 1 36 ? 1.067 8.541 2.362 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 2 +ATOM 2174 H HG11 . VAL A 1 36 ? 1.790 6.582 1.108 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 2 +ATOM 2175 H HG12 . VAL A 1 36 ? 3.107 7.524 0.412 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 2 +ATOM 2176 H HG13 . VAL A 1 36 ? 1.436 7.956 0.056 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 2 +ATOM 2177 H HG21 . VAL A 1 36 ? 2.780 8.570 4.040 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 2 +ATOM 2178 H HG22 . VAL A 1 36 ? 3.976 8.035 2.862 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 2 +ATOM 2179 H HG23 . VAL A 1 36 ? 2.680 6.943 3.354 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 2 +ATOM 2180 N N . LEU A 1 37 ? 3.670 10.174 -0.460 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 2 +ATOM 2181 C CA . LEU A 1 37 ? 4.823 10.203 -1.376 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 2 +ATOM 2182 C C . LEU A 1 37 ? 5.903 11.238 -0.981 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 2 +ATOM 2183 O O . LEU A 1 37 ? 7.062 11.071 -1.360 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 2 +ATOM 2184 C CB . LEU A 1 37 ? 4.361 10.488 -2.815 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 2 +ATOM 2185 C CG . LEU A 1 37 ? 3.494 9.421 -3.486 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 2 +ATOM 2186 C CD1 . LEU A 1 37 ? 3.026 9.898 -4.846 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 2 +ATOM 2187 C CD2 . LEU A 1 37 ? 4.259 8.117 -3.629 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 2 +ATOM 2188 H H . LEU A 1 37 ? 2.763 10.218 -0.834 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 2 +ATOM 2189 H HA . LEU A 1 37 ? 5.273 9.224 -1.359 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 2 +ATOM 2190 H HB2 . LEU A 1 37 ? 3.801 11.411 -2.806 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 2 +ATOM 2191 H HB3 . LEU A 1 37 ? 5.240 10.637 -3.426 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 2 +ATOM 2192 H HG . LEU A 1 37 ? 2.620 9.238 -2.878 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 2 +ATOM 2193 H HD11 . LEU A 1 37 ? 3.887 10.098 -5.468 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 2 +ATOM 2194 H HD12 . LEU A 1 37 ? 2.447 10.803 -4.734 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 2 +ATOM 2195 H HD13 . LEU A 1 37 ? 2.420 9.133 -5.308 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 2 +ATOM 2196 H HD21 . LEU A 1 37 ? 3.639 7.389 -4.130 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 2 +ATOM 2197 H HD22 . LEU A 1 37 ? 4.532 7.743 -2.653 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 2 +ATOM 2198 H HD23 . LEU A 1 37 ? 5.148 8.292 -4.217 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 2 +ATOM 2199 N N . GLU A 1 38 ? 5.524 12.303 -0.254 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 2 +ATOM 2200 C CA . GLU A 1 38 ? 6.500 13.314 0.174 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 2 +ATOM 2201 C C . GLU A 1 38 ? 7.469 12.734 1.227 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 2 +ATOM 2202 O O . GLU A 1 38 ? 8.610 13.178 1.342 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 2 +ATOM 2203 C CB . GLU A 1 38 ? 5.806 14.592 0.707 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 2 +ATOM 2204 C CG . GLU A 1 38 ? 4.986 14.399 1.978 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 2 +ATOM 2205 C CD . GLU A 1 38 ? 4.232 15.645 2.391 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 2 +ATOM 2206 O OE1 . GLU A 1 38 ? 4.834 16.566 2.972 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 2 +ATOM 2207 O OE2 . GLU A 1 38 ? 3.009 15.720 2.149 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 2 +ATOM 2208 H H . GLU A 1 38 ? 4.584 12.409 0.013 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 2 +ATOM 2209 H HA . GLU A 1 38 ? 7.084 13.567 -0.698 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 2 +ATOM 2210 H HB2 . GLU A 1 38 ? 6.566 15.331 0.917 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 2 +ATOM 2211 H HB3 . GLU A 1 38 ? 5.155 14.980 -0.062 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 2 +ATOM 2212 H HG2 . GLU A 1 38 ? 4.270 13.609 1.811 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 2 +ATOM 2213 H HG3 . GLU A 1 38 ? 5.650 14.114 2.781 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 2 +ATOM 2214 N N . SER A 1 39 ? 7.006 11.732 1.967 1.00 0.00 ? ? ? ? ? ? 36 SER A N 2 +ATOM 2215 C CA . SER A 1 39 ? 7.796 11.066 2.980 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 2 +ATOM 2216 C C . SER A 1 39 ? 7.153 9.724 3.328 1.00 0.00 ? ? ? ? ? ? 36 SER A C 2 +ATOM 2217 O O . SER A 1 39 ? 6.399 9.625 4.272 1.00 0.00 ? ? ? ? ? ? 36 SER A O 2 +ATOM 2218 C CB . SER A 1 39 ? 7.965 11.948 4.243 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 2 +ATOM 2219 O OG . SER A 1 39 ? 8.823 11.337 5.217 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 2 +ATOM 2220 H H . SER A 1 39 ? 6.099 11.388 1.815 1.00 0.00 ? ? ? ? ? ? 36 SER A H 2 +ATOM 2221 H HA . SER A 1 39 ? 8.765 10.843 2.570 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 2 +ATOM 2222 H HB2 . SER A 1 39 ? 8.392 12.899 3.956 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 2 +ATOM 2223 H HB3 . SER A 1 39 ? 6.994 12.114 4.689 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 2 +ATOM 2224 H HG . SER A 1 39 ? 9.516 11.982 5.401 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 2 +ATOM 2225 N N . PRO A 1 40 ? 7.368 8.680 2.508 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 2 +ATOM 2226 C CA . PRO A 1 40 ? 6.805 7.354 2.771 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 2 +ATOM 2227 C C . PRO A 1 40 ? 7.644 6.543 3.761 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 2 +ATOM 2228 O O . PRO A 1 40 ? 7.352 5.393 4.038 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 2 +ATOM 2229 C CB . PRO A 1 40 ? 6.803 6.704 1.392 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 2 +ATOM 2230 C CG . PRO A 1 40 ? 7.974 7.309 0.702 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 2 +ATOM 2231 C CD . PRO A 1 40 ? 8.078 8.726 1.211 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 2 +ATOM 2232 H HA . PRO A 1 40 ? 5.796 7.417 3.148 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 2 +ATOM 2233 H HB2 . PRO A 1 40 ? 6.902 5.634 1.497 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 2 +ATOM 2234 H HB3 . PRO A 1 40 ? 5.881 6.938 0.880 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 2 +ATOM 2235 H HG2 . PRO A 1 40 ? 8.870 6.756 0.947 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 2 +ATOM 2236 H HG3 . PRO A 1 40 ? 7.815 7.305 -0.366 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 2 +ATOM 2237 H HD2 . PRO A 1 40 ? 9.108 9.024 1.337 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 2 +ATOM 2238 H HD3 . PRO A 1 40 ? 7.559 9.390 0.532 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 2 +ATOM 2239 N N . ARG A 1 41 ? 8.659 7.165 4.319 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 2 +ATOM 2240 C CA . ARG A 1 41 ? 9.546 6.514 5.273 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 2 +ATOM 2241 C C . ARG A 1 41 ? 9.046 6.684 6.720 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 2 +ATOM 2242 O O . ARG A 1 41 ? 9.830 6.713 7.669 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 2 +ATOM 2243 C CB . ARG A 1 41 ? 11.011 7.004 5.066 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 2 +ATOM 2244 C CG . ARG A 1 41 ? 11.238 8.533 4.987 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 2 +ATOM 2245 C CD . ARG A 1 41 ? 11.048 9.263 6.317 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 2 +ATOM 2246 N NE . ARG A 1 41 ? 11.967 8.789 7.371 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 2 +ATOM 2247 C CZ . ARG A 1 41 ? 12.036 9.293 8.618 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 2 +ATOM 2248 N NH1 . ARG A 1 41 ? 11.317 10.362 8.950 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 2 +ATOM 2249 N NH2 . ARG A 1 41 ? 12.840 8.737 9.518 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 2 +ATOM 2250 H H . ARG A 1 41 ? 8.803 8.103 4.073 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 2 +ATOM 2251 H HA . ARG A 1 41 ? 9.505 5.458 5.049 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 2 +ATOM 2252 H HB2 . ARG A 1 41 ? 11.608 6.633 5.885 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 2 +ATOM 2253 H HB3 . ARG A 1 41 ? 11.384 6.560 4.155 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 2 +ATOM 2254 H HG2 . ARG A 1 41 ? 12.238 8.718 4.631 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 2 +ATOM 2255 H HG3 . ARG A 1 41 ? 10.542 8.935 4.265 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 2 +ATOM 2256 H HD2 . ARG A 1 41 ? 11.220 10.316 6.158 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 2 +ATOM 2257 H HD3 . ARG A 1 41 ? 10.031 9.108 6.646 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 2 +ATOM 2258 H HE . ARG A 1 41 ? 12.532 8.024 7.119 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 2 +ATOM 2259 H HH11 . ARG A 1 41 ? 10.712 10.827 8.298 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 2 +ATOM 2260 H HH12 . ARG A 1 41 ? 11.340 10.745 9.878 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 2 +ATOM 2261 H HH21 . ARG A 1 41 ? 13.419 7.939 9.324 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 2 +ATOM 2262 H HH22 . ARG A 1 41 ? 12.902 9.093 10.456 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 2 +ATOM 2263 N N . ILE A 1 42 ? 7.734 6.658 6.875 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 2 +ATOM 2264 C CA . ILE A 1 42 ? 7.100 6.913 8.153 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 2 +ATOM 2265 C C . ILE A 1 42 ? 7.110 5.658 9.015 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 2 +ATOM 2266 O O . ILE A 1 42 ? 6.336 4.718 8.803 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 2 +ATOM 2267 C CB . ILE A 1 42 ? 5.651 7.454 7.971 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 2 +ATOM 2268 C CG1 . ILE A 1 42 ? 5.712 8.739 7.141 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 2 +ATOM 2269 C CG2 . ILE A 1 42 ? 4.994 7.723 9.332 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 2 +ATOM 2270 C CD1 . ILE A 1 42 ? 4.376 9.313 6.726 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 2 +ATOM 2271 H H . ILE A 1 42 ? 7.187 6.429 6.093 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 2 +ATOM 2272 H HA . ILE A 1 42 ? 7.692 7.670 8.642 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 2 +ATOM 2273 H HB . ILE A 1 42 ? 5.067 6.720 7.436 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 2 +ATOM 2274 H HG12 . ILE A 1 42 ? 6.206 9.498 7.726 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 2 +ATOM 2275 H HG13 . ILE A 1 42 ? 6.287 8.549 6.246 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 2 +ATOM 2276 H HG21 . ILE A 1 42 ? 4.954 6.806 9.900 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 2 +ATOM 2277 H HG22 . ILE A 1 42 ? 3.992 8.096 9.179 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 2 +ATOM 2278 H HG23 . ILE A 1 42 ? 5.573 8.458 9.870 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 2 +ATOM 2279 H HD11 . ILE A 1 42 ? 4.580 10.167 6.094 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 2 +ATOM 2280 H HD12 . ILE A 1 42 ? 3.814 9.617 7.596 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 2 +ATOM 2281 H HD13 . ILE A 1 42 ? 3.825 8.577 6.161 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 2 +ATOM 2282 N N . GLU A 1 43 ? 7.991 5.682 9.999 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 2 +ATOM 2283 C CA . GLU A 1 43 ? 8.275 4.559 10.894 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 2 +ATOM 2284 C C . GLU A 1 43 ? 7.031 4.008 11.615 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 2 +ATOM 2285 O O . GLU A 1 43 ? 6.941 2.804 11.866 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 2 +ATOM 2286 C CB . GLU A 1 43 ? 9.337 4.975 11.910 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 2 +ATOM 2287 C CG . GLU A 1 43 ? 8.955 6.202 12.727 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 2 +ATOM 2288 C CD . GLU A 1 43 ? 9.974 6.542 13.765 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 2 +ATOM 2289 O OE1 . GLU A 1 43 ? 10.098 5.790 14.748 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 2 +ATOM 2290 O OE2 . GLU A 1 43 ? 10.693 7.566 13.611 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 2 +ATOM 2291 H H . GLU A 1 43 ? 8.495 6.516 10.119 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 2 +ATOM 2292 H HA . GLU A 1 43 ? 8.693 3.767 10.291 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 2 +ATOM 2293 H HB2 . GLU A 1 43 ? 9.509 4.154 12.590 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 2 +ATOM 2294 H HB3 . GLU A 1 43 ? 10.254 5.194 11.383 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 2 +ATOM 2295 H HG2 . GLU A 1 43 ? 8.850 7.043 12.060 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 2 +ATOM 2296 H HG3 . GLU A 1 43 ? 8.009 6.011 13.212 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 2 +ATOM 2297 N N . ALA A 1 44 ? 6.072 4.876 11.908 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 2 +ATOM 2298 C CA . ALA A 1 44 ? 4.855 4.478 12.611 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 2 +ATOM 2299 C C . ALA A 1 44 ? 4.005 3.549 11.747 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 2 +ATOM 2300 O O . ALA A 1 44 ? 3.357 2.626 12.243 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 2 +ATOM 2301 C CB . ALA A 1 44 ? 4.057 5.708 13.019 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 2 +ATOM 2302 H H . ALA A 1 44 ? 6.202 5.810 11.647 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 2 +ATOM 2303 H HA . ALA A 1 44 ? 5.151 3.947 13.504 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 2 +ATOM 2304 H HB1 . ALA A 1 44 ? 4.675 6.350 13.629 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 2 +ATOM 2305 H HB2 . ALA A 1 44 ? 3.187 5.403 13.583 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 2 +ATOM 2306 H HB3 . ALA A 1 44 ? 3.744 6.243 12.134 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 2 +ATOM 2307 N N . ASN A 1 45 ? 4.067 3.755 10.452 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 2 +ATOM 2308 C CA . ASN A 1 45 ? 3.277 2.971 9.523 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 2 +ATOM 2309 C C . ASN A 1 45 ? 4.066 1.796 8.999 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 2 +ATOM 2310 O O . ASN A 1 45 ? 3.546 0.987 8.240 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 2 +ATOM 2311 C CB . ASN A 1 45 ? 2.782 3.825 8.343 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 2 +ATOM 2312 C CG . ASN A 1 45 ? 1.747 4.869 8.730 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 2 +ATOM 2313 O OD1 . ASN A 1 45 ? 0.987 4.698 9.686 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 2 +ATOM 2314 N ND2 . ASN A 1 45 ? 1.695 5.945 7.983 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 2 +ATOM 2315 H H . ASN A 1 45 ? 4.679 4.432 10.095 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 2 +ATOM 2316 H HA . ASN A 1 45 ? 2.417 2.598 10.058 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 2 +ATOM 2317 H HB2 . ASN A 1 45 ? 3.625 4.337 7.905 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 2 +ATOM 2318 H HB3 . ASN A 1 45 ? 2.348 3.171 7.601 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 2 +ATOM 2319 H HD21 . ASN A 1 45 ? 2.312 6.023 7.228 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 2 +ATOM 2320 H HD22 . ASN A 1 45 ? 1.020 6.627 8.197 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 2 +ATOM 2321 N N . LYS A 1 46 ? 5.313 1.692 9.403 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 2 +ATOM 2322 C CA . LYS A 1 46 ? 6.167 0.682 8.944 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 2 +ATOM 2323 C C . LYS A 1 46 ? 5.865 -0.616 9.652 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 2 +ATOM 2324 O O . LYS A 1 46 ? 5.605 -0.636 10.862 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 2 +ATOM 2325 C CB . LYS A 1 46 ? 7.589 1.125 9.170 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 2 +ATOM 2326 C CG . LYS A 1 46 ? 8.579 0.278 8.483 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 2 +ATOM 2327 C CD . LYS A 1 46 ? 9.912 0.986 8.373 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 2 +ATOM 2328 C CE . LYS A 1 46 ? 10.837 0.263 7.421 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 2 +ATOM 2329 N NZ . LYS A 1 46 ? 11.936 1.138 6.971 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 2 +ATOM 2330 H H . LYS A 1 46 ? 5.729 2.300 10.046 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 2 +ATOM 2331 H HA . LYS A 1 46 ? 6.013 0.559 7.882 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 2 +ATOM 2332 H HB2 . LYS A 1 46 ? 7.695 2.140 8.816 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 2 +ATOM 2333 H HB3 . LYS A 1 46 ? 7.787 1.095 10.230 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 2 +ATOM 2334 H HG2 . LYS A 1 46 ? 8.650 -0.627 9.062 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 2 +ATOM 2335 H HG3 . LYS A 1 46 ? 8.156 0.095 7.508 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 2 +ATOM 2336 H HD2 . LYS A 1 46 ? 9.751 1.987 8.002 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 2 +ATOM 2337 H HD3 . LYS A 1 46 ? 10.372 1.029 9.349 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 2 +ATOM 2338 H HE2 . LYS A 1 46 ? 11.250 -0.595 7.929 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 2 +ATOM 2339 H HE3 . LYS A 1 46 ? 10.262 -0.058 6.567 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 2 +ATOM 2340 H HZ1 . LYS A 1 46 ? 11.534 2.026 6.608 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 2 +ATOM 2341 H HZ2 . LYS A 1 46 ? 12.432 0.722 6.156 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 2 +ATOM 2342 H HZ3 . LYS A 1 46 ? 12.621 1.358 7.721 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 2 +ATOM 2343 N N . LEU A 1 47 ? 5.872 -1.674 8.903 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 2 +ATOM 2344 C CA . LEU A 1 47 ? 5.559 -2.981 9.417 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 2 +ATOM 2345 C C . LEU A 1 47 ? 6.789 -3.626 10.023 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 2 +ATOM 2346 O O . LEU A 1 47 ? 7.921 -3.284 9.661 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 2 +ATOM 2347 C CB . LEU A 1 47 ? 4.977 -3.861 8.314 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 2 +ATOM 2348 C CG . LEU A 1 47 ? 3.703 -3.339 7.654 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 2 +ATOM 2349 C CD1 . LEU A 1 47 ? 3.200 -4.307 6.622 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 2 +ATOM 2350 C CD2 . LEU A 1 47 ? 2.629 -3.079 8.677 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 2 +ATOM 2351 H H . LEU A 1 47 ? 6.120 -1.563 7.958 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 2 +ATOM 2352 H HA . LEU A 1 47 ? 4.814 -2.860 10.188 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 2 +ATOM 2353 H HB2 . LEU A 1 47 ? 5.727 -3.969 7.546 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 2 +ATOM 2354 H HB3 . LEU A 1 47 ? 4.766 -4.834 8.734 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 2 +ATOM 2355 H HG . LEU A 1 47 ? 3.922 -2.408 7.153 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 2 +ATOM 2356 H HD11 . LEU A 1 47 ? 3.022 -5.265 7.088 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 2 +ATOM 2357 H HD12 . LEU A 1 47 ? 3.917 -4.404 5.822 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 2 +ATOM 2358 H HD13 . LEU A 1 47 ? 2.264 -3.925 6.240 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 2 +ATOM 2359 H HD21 . LEU A 1 47 ? 2.425 -3.985 9.228 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 2 +ATOM 2360 H HD22 . LEU A 1 47 ? 1.742 -2.769 8.146 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 2 +ATOM 2361 H HD23 . LEU A 1 47 ? 2.948 -2.294 9.348 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 2 +ATOM 2362 N N . ARG A 1 48 ? 6.566 -4.541 10.931 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 2 +ATOM 2363 C CA . ARG A 1 48 ? 7.634 -5.210 11.630 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 2 +ATOM 2364 C C . ARG A 1 48 ? 8.083 -6.416 10.824 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 2 +ATOM 2365 O O . ARG A 1 48 ? 7.275 -7.272 10.482 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 2 +ATOM 2366 C CB . ARG A 1 48 ? 7.132 -5.618 13.044 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 2 +ATOM 2367 C CG . ARG A 1 48 ? 8.188 -6.146 14.048 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 2 +ATOM 2368 C CD . ARG A 1 48 ? 8.710 -7.536 13.706 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 2 +ATOM 2369 N NE . ARG A 1 48 ? 7.623 -8.521 13.662 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 2 +ATOM 2370 C CZ . ARG A 1 48 ? 7.582 -9.600 12.871 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 2 +ATOM 2371 N NH1 . ARG A 1 48 ? 8.586 -9.865 12.036 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 2 +ATOM 2372 N NH2 . ARG A 1 48 ? 6.535 -10.413 12.923 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 2 +ATOM 2373 H H . ARG A 1 48 ? 5.643 -4.798 11.143 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 2 +ATOM 2374 H HA . ARG A 1 48 ? 8.463 -4.527 11.737 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 2 +ATOM 2375 H HB2 . ARG A 1 48 ? 6.654 -4.759 13.491 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 2 +ATOM 2376 H HB3 . ARG A 1 48 ? 6.381 -6.384 12.919 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 2 +ATOM 2377 H HG2 . ARG A 1 48 ? 9.026 -5.467 14.065 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 2 +ATOM 2378 H HG3 . ARG A 1 48 ? 7.738 -6.172 15.029 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 2 +ATOM 2379 H HD2 . ARG A 1 48 ? 9.188 -7.499 12.738 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 2 +ATOM 2380 H HD3 . ARG A 1 48 ? 9.428 -7.836 14.455 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 2 +ATOM 2381 H HE . ARG A 1 48 ? 6.876 -8.340 14.281 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 2 +ATOM 2382 H HH11 . ARG A 1 48 ? 9.399 -9.279 11.981 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 2 +ATOM 2383 H HH12 . ARG A 1 48 ? 8.560 -10.649 11.407 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 2 +ATOM 2384 H HH21 . ARG A 1 48 ? 5.768 -10.231 13.545 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 2 +ATOM 2385 H HH22 . ARG A 1 48 ? 6.468 -11.240 12.355 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 2 +ATOM 2386 N N . GLY A 1 49 ? 9.356 -6.446 10.487 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 2 +ATOM 2387 C CA . GLY A 1 49 ? 9.943 -7.595 9.827 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 2 +ATOM 2388 C C . GLY A 1 49 ? 9.612 -7.682 8.366 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 2 +ATOM 2389 O O . GLY A 1 49 ? 9.841 -8.718 7.731 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 2 +ATOM 2390 H H . GLY A 1 49 ? 9.916 -5.658 10.664 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 2 +ATOM 2391 H HA2 . GLY A 1 49 ? 11.017 -7.547 9.931 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 2 +ATOM 2392 H HA3 . GLY A 1 49 ? 9.586 -8.488 10.317 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 2 +ATOM 2393 N N . MET A 1 50 ? 9.097 -6.623 7.831 1.00 0.00 ? ? ? ? ? ? 47 MET A N 2 +ATOM 2394 C CA . MET A 1 50 ? 8.730 -6.570 6.445 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 2 +ATOM 2395 C C . MET A 1 50 ? 9.674 -5.625 5.747 1.00 0.00 ? ? ? ? ? ? 47 MET A C 2 +ATOM 2396 O O . MET A 1 50 ? 9.917 -4.522 6.253 1.00 0.00 ? ? ? ? ? ? 47 MET A O 2 +ATOM 2397 C CB . MET A 1 50 ? 7.283 -6.098 6.294 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 2 +ATOM 2398 C CG . MET A 1 50 ? 6.244 -7.049 6.886 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 2 +ATOM 2399 S SD . MET A 1 50 ? 6.106 -8.615 5.993 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 2 +ATOM 2400 C CE . MET A 1 50 ? 5.442 -8.057 4.421 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 2 +ATOM 2401 H H . MET A 1 50 ? 8.984 -5.825 8.390 1.00 0.00 ? ? ? ? ? ? 47 MET A H 2 +ATOM 2402 H HA . MET A 1 50 ? 8.832 -7.563 6.034 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 2 +ATOM 2403 H HB2 . MET A 1 50 ? 7.192 -5.141 6.784 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 2 +ATOM 2404 H HB3 . MET A 1 50 ? 7.074 -5.968 5.242 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 2 +ATOM 2405 H HG2 . MET A 1 50 ? 6.520 -7.265 7.908 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 2 +ATOM 2406 H HG3 . MET A 1 50 ? 5.282 -6.559 6.878 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 2 +ATOM 2407 H HE1 . MET A 1 50 ? 6.138 -7.383 3.944 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 2 +ATOM 2408 H HE2 . MET A 1 50 ? 4.505 -7.548 4.592 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 2 +ATOM 2409 H HE3 . MET A 1 50 ? 5.269 -8.910 3.781 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 2 +ATOM 2410 N N . PRO A 1 51 ? 10.249 -6.037 4.602 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 2 +ATOM 2411 C CA . PRO A 1 51 ? 11.223 -5.227 3.867 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 2 +ATOM 2412 C C . PRO A 1 51 ? 10.622 -3.918 3.354 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 2 +ATOM 2413 O O . PRO A 1 51 ? 9.923 -3.894 2.323 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 2 +ATOM 2414 C CB . PRO A 1 51 ? 11.672 -6.130 2.711 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 2 +ATOM 2415 C CG . PRO A 1 51 ? 10.585 -7.138 2.562 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 2 +ATOM 2416 C CD . PRO A 1 51 ? 9.995 -7.329 3.931 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 2 +ATOM 2417 H HA . PRO A 1 51 ? 12.065 -4.993 4.501 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 2 +ATOM 2418 H HB2 . PRO A 1 51 ? 11.787 -5.536 1.816 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 2 +ATOM 2419 H HB3 . PRO A 1 51 ? 12.613 -6.601 2.957 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 2 +ATOM 2420 H HG2 . PRO A 1 51 ? 9.835 -6.763 1.881 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 2 +ATOM 2421 H HG3 . PRO A 1 51 ? 10.994 -8.068 2.196 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 2 +ATOM 2422 H HD2 . PRO A 1 51 ? 8.935 -7.521 3.856 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 2 +ATOM 2423 H HD3 . PRO A 1 51 ? 10.490 -8.138 4.448 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 2 +ATOM 2424 N N . ASP A 1 52 ? 10.819 -2.862 4.155 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 2 +ATOM 2425 C CA . ASP A 1 52 ? 10.338 -1.506 3.876 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 2 +ATOM 2426 C C . ASP A 1 52 ? 8.891 -1.450 3.465 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 2 +ATOM 2427 O O . ASP A 1 52 ? 8.521 -0.770 2.505 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 2 +ATOM 2428 C CB . ASP A 1 52 ? 11.257 -0.708 2.937 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 2 +ATOM 2429 C CG . ASP A 1 52 ? 12.341 0.014 3.704 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 2 +ATOM 2430 O OD1 . ASP A 1 52 ? 12.081 1.115 4.211 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 2 +ATOM 2431 O OD2 . ASP A 1 52 ? 13.465 -0.511 3.862 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 2 +ATOM 2432 H H . ASP A 1 52 ? 11.304 -3.024 4.992 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 2 +ATOM 2433 H HA . ASP A 1 52 ? 10.362 -1.021 4.841 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 2 +ATOM 2434 H HB2 . ASP A 1 52 ? 11.723 -1.384 2.235 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 2 +ATOM 2435 H HB3 . ASP A 1 52 ? 10.671 0.022 2.399 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 2 +ATOM 2436 N N . CYS A 1 53 ? 8.063 -2.160 4.198 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 2 +ATOM 2437 C CA . CYS A 1 53 ? 6.670 -2.158 3.922 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 2 +ATOM 2438 C C . CYS A 1 53 ? 5.976 -1.268 4.925 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 2 +ATOM 2439 O O . CYS A 1 53 ? 6.338 -1.245 6.118 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 2 +ATOM 2440 C CB . CYS A 1 53 ? 6.120 -3.579 3.967 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 2 +ATOM 2441 S SG . CYS A 1 53 ? 6.979 -4.727 2.858 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 2 +ATOM 2442 H H . CYS A 1 53 ? 8.395 -2.684 4.957 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 2 +ATOM 2443 H HA . CYS A 1 53 ? 6.519 -1.750 2.936 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 2 +ATOM 2444 H HB2 . CYS A 1 53 ? 6.211 -3.960 4.974 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 2 +ATOM 2445 H HB3 . CYS A 1 53 ? 5.079 -3.567 3.685 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 2 +ATOM 2446 H HG . CYS A 1 53 ? 8.149 -4.176 2.547 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 2 +ATOM 2447 N N . TYR A 1 54 ? 5.007 -0.549 4.457 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 2 +ATOM 2448 C CA . TYR A 1 54 ? 4.285 0.402 5.245 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 2 +ATOM 2449 C C . TYR A 1 54 ? 2.810 0.204 4.989 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 2 +ATOM 2450 O O . TYR A 1 54 ? 2.416 -0.255 3.906 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 2 +ATOM 2451 C CB . TYR A 1 54 ? 4.693 1.848 4.866 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 2 +ATOM 2452 C CG . TYR A 1 54 ? 6.166 2.194 5.078 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 2 +ATOM 2453 C CD1 . TYR A 1 54 ? 7.141 1.782 4.178 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 2 +ATOM 2454 C CD2 . TYR A 1 54 ? 6.573 2.925 6.175 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 2 +ATOM 2455 C CE1 . TYR A 1 54 ? 8.475 2.087 4.371 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 2 +ATOM 2456 C CE2 . TYR A 1 54 ? 7.906 3.233 6.375 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 2 +ATOM 2457 C CZ . TYR A 1 54 ? 8.850 2.812 5.470 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 2 +ATOM 2458 O OH . TYR A 1 54 ? 10.188 3.111 5.679 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 2 +ATOM 2459 H H . TYR A 1 54 ? 4.740 -0.661 3.515 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 2 +ATOM 2460 H HA . TYR A 1 54 ? 4.503 0.231 6.288 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 2 +ATOM 2461 H HB2 . TYR A 1 54 ? 4.477 2.006 3.821 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 2 +ATOM 2462 H HB3 . TYR A 1 54 ? 4.099 2.539 5.447 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 2 +ATOM 2463 H HD1 . TYR A 1 54 ? 6.843 1.209 3.312 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 2 +ATOM 2464 H HD2 . TYR A 1 54 ? 5.835 3.256 6.891 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 2 +ATOM 2465 H HE1 . TYR A 1 54 ? 9.213 1.753 3.657 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 2 +ATOM 2466 H HE2 . TYR A 1 54 ? 8.201 3.808 7.241 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 2 +ATOM 2467 H HH . TYR A 1 54 ? 10.549 3.386 4.827 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 2 +ATOM 2468 N N . LYS A 1 55 ? 2.013 0.514 5.963 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 2 +ATOM 2469 C CA . LYS A 1 55 ? 0.586 0.374 5.856 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 2 +ATOM 2470 C C . LYS A 1 55 ? -0.096 1.720 6.023 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 2 +ATOM 2471 O O . LYS A 1 55 ? 0.364 2.575 6.771 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 2 +ATOM 2472 C CB . LYS A 1 55 ? 0.043 -0.605 6.908 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 2 +ATOM 2473 C CG . LYS A 1 55 ? 0.380 -0.195 8.333 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 2 +ATOM 2474 C CD . LYS A 1 55 ? -0.327 -1.040 9.366 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 2 +ATOM 2475 C CE . LYS A 1 55 ? 0.088 -0.595 10.749 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 2 +ATOM 2476 N NZ . LYS A 1 55 ? -0.686 -1.240 11.823 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 2 +ATOM 2477 H H . LYS A 1 55 ? 2.399 0.863 6.798 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 2 +ATOM 2478 H HA . LYS A 1 55 ? 0.359 -0.015 4.876 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 2 +ATOM 2479 H HB2 . LYS A 1 55 ? -1.031 -0.656 6.815 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 2 +ATOM 2480 H HB3 . LYS A 1 55 ? 0.459 -1.585 6.728 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 2 +ATOM 2481 H HG2 . LYS A 1 55 ? 1.446 -0.289 8.480 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 2 +ATOM 2482 H HG3 . LYS A 1 55 ? 0.097 0.839 8.467 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 2 +ATOM 2483 H HD2 . LYS A 1 55 ? -1.394 -0.916 9.254 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 2 +ATOM 2484 H HD3 . LYS A 1 55 ? -0.060 -2.077 9.233 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 2 +ATOM 2485 H HE2 . LYS A 1 55 ? 1.133 -0.837 10.877 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 2 +ATOM 2486 H HE3 . LYS A 1 55 ? -0.032 0.475 10.797 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 2 +ATOM 2487 H HZ1 . LYS A 1 55 ? -0.527 -2.268 11.854 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 2 +ATOM 2488 H HZ2 . LYS A 1 55 ? -1.701 -1.063 11.682 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 2 +ATOM 2489 H HZ3 . LYS A 1 55 ? -0.415 -0.833 12.740 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 2 +ATOM 2490 N N . ILE A 1 56 ? -1.153 1.902 5.311 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 2 +ATOM 2491 C CA . ILE A 1 56 ? -1.975 3.068 5.435 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 2 +ATOM 2492 C C . ILE A 1 56 ? -3.279 2.679 6.077 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 2 +ATOM 2493 O O . ILE A 1 56 ? -3.877 1.668 5.712 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 2 +ATOM 2494 C CB . ILE A 1 56 ? -2.271 3.724 4.057 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 2 +ATOM 2495 C CG1 . ILE A 1 56 ? -0.990 4.280 3.440 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 2 +ATOM 2496 C CG2 . ILE A 1 56 ? -3.341 4.826 4.178 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 2 +ATOM 2497 C CD1 . ILE A 1 56 ? -1.185 4.839 2.052 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 2 +ATOM 2498 H H . ILE A 1 56 ? -1.389 1.210 4.653 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 2 +ATOM 2499 H HA . ILE A 1 56 ? -1.463 3.784 6.059 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 2 +ATOM 2500 H HB . ILE A 1 56 ? -2.666 2.956 3.409 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 2 +ATOM 2501 H HG12 . ILE A 1 56 ? -0.610 5.076 4.064 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 2 +ATOM 2502 H HG13 . ILE A 1 56 ? -0.258 3.488 3.385 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 2 +ATOM 2503 H HG21 . ILE A 1 56 ? -4.259 4.408 4.564 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 2 +ATOM 2504 H HG22 . ILE A 1 56 ? -3.536 5.261 3.209 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 2 +ATOM 2505 H HG23 . ILE A 1 56 ? -3.004 5.606 4.845 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 2 +ATOM 2506 H HD11 . ILE A 1 56 ? -0.299 5.365 1.728 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 2 +ATOM 2507 H HD12 . ILE A 1 56 ? -2.038 5.499 2.038 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 2 +ATOM 2508 H HD13 . ILE A 1 56 ? -1.374 4.021 1.374 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 2 +ATOM 2509 N N . LYS A 1 57 ? -3.672 3.444 7.043 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 2 +ATOM 2510 C CA . LYS A 1 57 ? -4.949 3.309 7.664 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 2 +ATOM 2511 C C . LYS A 1 57 ? -5.878 4.403 7.147 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 2 +ATOM 2512 O O . LYS A 1 57 ? -5.459 5.545 6.950 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 2 +ATOM 2513 C CB . LYS A 1 57 ? -4.837 3.274 9.217 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 2 +ATOM 2514 C CG . LYS A 1 57 ? -3.719 4.139 9.820 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 2 +ATOM 2515 C CD . LYS A 1 57 ? -3.911 5.626 9.586 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 2 +ATOM 2516 C CE . LYS A 1 57 ? -2.663 6.401 9.949 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 2 +ATOM 2517 N NZ . LYS A 1 57 ? -2.306 6.267 11.375 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 2 +ATOM 2518 H H . LYS A 1 57 ? -3.075 4.153 7.355 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 2 +ATOM 2519 H HA . LYS A 1 57 ? -5.336 2.364 7.317 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 2 +ATOM 2520 H HB2 . LYS A 1 57 ? -5.775 3.606 9.637 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 2 +ATOM 2521 H HB3 . LYS A 1 57 ? -4.673 2.250 9.520 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 2 +ATOM 2522 H HG2 . LYS A 1 57 ? -3.687 3.968 10.884 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 2 +ATOM 2523 H HG3 . LYS A 1 57 ? -2.780 3.832 9.382 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 2 +ATOM 2524 H HD2 . LYS A 1 57 ? -4.135 5.789 8.541 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 2 +ATOM 2525 H HD3 . LYS A 1 57 ? -4.736 5.974 10.190 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 2 +ATOM 2526 H HE2 . LYS A 1 57 ? -1.865 5.992 9.346 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 2 +ATOM 2527 H HE3 . LYS A 1 57 ? -2.817 7.440 9.700 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 2 +ATOM 2528 H HZ1 . LYS A 1 57 ? -2.105 5.281 11.643 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 2 +ATOM 2529 H HZ2 . LYS A 1 57 ? -3.072 6.606 11.989 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 2 +ATOM 2530 H HZ3 . LYS A 1 57 ? -1.469 6.837 11.610 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 2 +ATOM 2531 N N . LEU A 1 58 ? -7.101 4.044 6.869 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 2 +ATOM 2532 C CA . LEU A 1 58 ? -8.073 4.991 6.349 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 2 +ATOM 2533 C C . LEU A 1 58 ? -8.782 5.655 7.543 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 2 +ATOM 2534 O O . LEU A 1 58 ? -9.496 6.639 7.398 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 2 +ATOM 2535 C CB . LEU A 1 58 ? -9.055 4.236 5.406 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 2 +ATOM 2536 C CG . LEU A 1 58 ? -9.799 5.047 4.308 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 2 +ATOM 2537 C CD1 . LEU A 1 58 ? -10.425 4.103 3.307 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 2 +ATOM 2538 C CD2 . LEU A 1 58 ? -10.888 5.940 4.878 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 2 +ATOM 2539 H H . LEU A 1 58 ? -7.363 3.106 6.998 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 2 +ATOM 2540 H HA . LEU A 1 58 ? -7.537 5.747 5.792 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 2 +ATOM 2541 H HB2 . LEU A 1 58 ? -8.494 3.456 4.910 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 2 +ATOM 2542 H HB3 . LEU A 1 58 ? -9.797 3.757 6.027 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 2 +ATOM 2543 H HG . LEU A 1 58 ? -9.085 5.662 3.779 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 2 +ATOM 2544 H HD11 . LEU A 1 58 ? -10.935 4.673 2.546 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 2 +ATOM 2545 H HD12 . LEU A 1 58 ? -11.131 3.459 3.807 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 2 +ATOM 2546 H HD13 . LEU A 1 58 ? -9.656 3.502 2.845 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 2 +ATOM 2547 H HD21 . LEU A 1 58 ? -11.371 6.478 4.076 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 2 +ATOM 2548 H HD22 . LEU A 1 58 ? -10.450 6.641 5.573 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 2 +ATOM 2549 H HD23 . LEU A 1 58 ? -11.617 5.332 5.394 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 2 +ATOM 2550 N N . ARG A 1 59 ? -8.559 5.077 8.728 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 2 +ATOM 2551 C CA . ARG A 1 59 ? -9.080 5.550 10.022 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 2 +ATOM 2552 C C . ARG A 1 59 ? -10.572 5.247 10.164 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 2 +ATOM 2553 O O . ARG A 1 59 ? -10.981 4.490 11.032 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 2 +ATOM 2554 C CB . ARG A 1 59 ? -8.827 7.062 10.225 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 2 +ATOM 2555 C CG . ARG A 1 59 ? -9.207 7.596 11.600 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 2 +ATOM 2556 C CD . ARG A 1 59 ? -9.331 9.112 11.582 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 2 +ATOM 2557 N NE . ARG A 1 59 ? -8.140 9.787 11.046 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 2 +ATOM 2558 C CZ . ARG A 1 59 ? -8.167 10.965 10.387 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 2 +ATOM 2559 N NH1 . ARG A 1 59 ? -9.307 11.643 10.271 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 2 +ATOM 2560 N NH2 . ARG A 1 59 ? -7.053 11.464 9.867 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 2 +ATOM 2561 H H . ARG A 1 59 ? -8.022 4.257 8.725 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 2 +ATOM 2562 H HA . ARG A 1 59 ? -8.556 5.003 10.791 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 2 +ATOM 2563 H HB2 . ARG A 1 59 ? -7.779 7.262 10.065 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 2 +ATOM 2564 H HB3 . ARG A 1 59 ? -9.396 7.605 9.483 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 2 +ATOM 2565 H HG2 . ARG A 1 59 ? -10.155 7.168 11.890 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 2 +ATOM 2566 H HG3 . ARG A 1 59 ? -8.446 7.310 12.310 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 2 +ATOM 2567 H HD2 . ARG A 1 59 ? -10.174 9.376 10.963 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 2 +ATOM 2568 H HD3 . ARG A 1 59 ? -9.504 9.457 12.589 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 2 +ATOM 2569 H HE . ARG A 1 59 ? -7.293 9.305 11.187 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 2 +ATOM 2570 H HH11 . ARG A 1 59 ? -10.168 11.311 10.667 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 2 +ATOM 2571 H HH12 . ARG A 1 59 ? -9.374 12.515 9.777 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 2 +ATOM 2572 H HH21 . ARG A 1 59 ? -6.170 10.992 9.940 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 2 +ATOM 2573 H HH22 . ARG A 1 59 ? -7.039 12.339 9.373 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 2 +ATOM 2574 N N . SER A 1 60 ? -11.358 5.822 9.295 1.00 0.00 ? ? ? ? ? ? 57 SER A N 2 +ATOM 2575 C CA . SER A 1 60 ? -12.790 5.712 9.363 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 2 +ATOM 2576 C C . SER A 1 60 ? -13.301 4.335 8.889 1.00 0.00 ? ? ? ? ? ? 57 SER A C 2 +ATOM 2577 O O . SER A 1 60 ? -13.908 3.590 9.655 1.00 0.00 ? ? ? ? ? ? 57 SER A O 2 +ATOM 2578 C CB . SER A 1 60 ? -13.404 6.844 8.536 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 2 +ATOM 2579 O OG . SER A 1 60 ? -12.856 8.107 8.944 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 2 +ATOM 2580 H H . SER A 1 60 ? -10.946 6.359 8.580 1.00 0.00 ? ? ? ? ? ? 57 SER A H 2 +ATOM 2581 H HA . SER A 1 60 ? -13.084 5.855 10.391 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 2 +ATOM 2582 H HB2 . SER A 1 60 ? -13.182 6.682 7.492 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 2 +ATOM 2583 H HB3 . SER A 1 60 ? -14.473 6.863 8.684 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 2 +ATOM 2584 H HG . SER A 1 60 ? -12.968 8.156 9.903 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 2 +ATOM 2585 N N . SER A 1 61 ? -13.010 3.998 7.656 1.00 0.00 ? ? ? ? ? ? 58 SER A N 2 +ATOM 2586 C CA . SER A 1 61 ? -13.535 2.802 7.025 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 2 +ATOM 2587 C C . SER A 1 61 ? -12.981 1.488 7.615 1.00 0.00 ? ? ? ? ? ? 58 SER A C 2 +ATOM 2588 O O . SER A 1 61 ? -13.643 0.459 7.551 1.00 0.00 ? ? ? ? ? ? 58 SER A O 2 +ATOM 2589 C CB . SER A 1 61 ? -13.232 2.886 5.553 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 2 +ATOM 2590 O OG . SER A 1 61 ? -13.615 4.155 5.058 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 2 +ATOM 2591 H H . SER A 1 61 ? -12.454 4.579 7.098 1.00 0.00 ? ? ? ? ? ? 58 SER A H 2 +ATOM 2592 H HA . SER A 1 61 ? -14.608 2.811 7.136 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 2 +ATOM 2593 H HB2 . SER A 1 61 ? -12.171 2.749 5.407 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 2 +ATOM 2594 H HB3 . SER A 1 61 ? -13.775 2.118 5.022 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 2 +ATOM 2595 H HG . SER A 1 61 ? -14.429 4.042 4.551 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 2 +ATOM 2596 N N . GLY A 1 62 ? -11.792 1.522 8.193 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 2 +ATOM 2597 C CA . GLY A 1 62 ? -11.211 0.292 8.713 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 2 +ATOM 2598 C C . GLY A 1 62 ? -10.416 -0.433 7.645 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 2 +ATOM 2599 O O . GLY A 1 62 ? -10.155 -1.630 7.736 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 2 +ATOM 2600 H H . GLY A 1 62 ? -11.309 2.369 8.298 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 2 +ATOM 2601 H HA2 . GLY A 1 62 ? -10.565 0.527 9.546 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 2 +ATOM 2602 H HA3 . GLY A 1 62 ? -12.005 -0.355 9.054 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 2 +ATOM 2603 N N . TYR A 1 63 ? -10.028 0.296 6.637 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 2 +ATOM 2604 C CA . TYR A 1 63 ? -9.267 -0.259 5.547 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 2 +ATOM 2605 C C . TYR A 1 63 ? -7.797 0.027 5.719 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 2 +ATOM 2606 O O . TYR A 1 63 ? -7.413 1.028 6.341 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 2 +ATOM 2607 C CB . TYR A 1 63 ? -9.771 0.243 4.191 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 2 +ATOM 2608 C CG . TYR A 1 63 ? -11.049 -0.423 3.716 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 2 +ATOM 2609 C CD1 . TYR A 1 63 ? -12.272 -0.174 4.323 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 2 +ATOM 2610 C CD2 . TYR A 1 63 ? -11.028 -1.287 2.634 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 2 +ATOM 2611 C CE1 . TYR A 1 63 ? -13.433 -0.770 3.868 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 2 +ATOM 2612 C CE2 . TYR A 1 63 ? -12.179 -1.888 2.174 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 2 +ATOM 2613 C CZ . TYR A 1 63 ? -13.378 -1.628 2.791 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 2 +ATOM 2614 O OH . TYR A 1 63 ? -14.530 -2.221 2.321 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 2 +ATOM 2615 H H . TYR A 1 63 ? -10.235 1.251 6.642 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 2 +ATOM 2616 H HA . TYR A 1 63 ? -9.400 -1.330 5.586 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 2 +ATOM 2617 H HB2 . TYR A 1 63 ? -9.959 1.305 4.258 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 2 +ATOM 2618 H HB3 . TYR A 1 63 ? -9.007 0.070 3.448 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 2 +ATOM 2619 H HD1 . TYR A 1 63 ? -12.305 0.495 5.169 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 2 +ATOM 2620 H HD2 . TYR A 1 63 ? -10.085 -1.495 2.149 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 2 +ATOM 2621 H HE1 . TYR A 1 63 ? -14.375 -0.564 4.356 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 2 +ATOM 2622 H HE2 . TYR A 1 63 ? -12.135 -2.559 1.330 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 2 +ATOM 2623 H HH . TYR A 1 63 ? -14.292 -3.122 2.061 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 2 +ATOM 2624 N N . ARG A 1 64 ? -6.994 -0.874 5.226 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 2 +ATOM 2625 C CA . ARG A 1 64 ? -5.563 -0.785 5.290 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 2 +ATOM 2626 C C . ARG A 1 64 ? -4.995 -1.061 3.915 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 2 +ATOM 2627 O O . ARG A 1 64 ? -5.530 -1.883 3.162 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 2 +ATOM 2628 C CB . ARG A 1 64 ? -4.929 -1.788 6.296 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 2 +ATOM 2629 C CG . ARG A 1 64 ? -5.199 -1.562 7.794 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 2 +ATOM 2630 C CD . ARG A 1 64 ? -6.634 -1.870 8.199 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 2 +ATOM 2631 N NE . ARG A 1 64 ? -6.811 -1.837 9.654 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 2 +ATOM 2632 C CZ . ARG A 1 64 ? -7.733 -2.551 10.319 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 2 +ATOM 2633 N NH1 . ARG A 1 64 ? -8.747 -3.099 9.654 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 2 +ATOM 2634 N NH2 . ARG A 1 64 ? -7.694 -2.621 11.650 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 2 +ATOM 2635 H H . ARG A 1 64 ? -7.375 -1.638 4.736 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 2 +ATOM 2636 H HA . ARG A 1 64 ? -5.305 0.222 5.584 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 2 +ATOM 2637 H HB2 . ARG A 1 64 ? -5.289 -2.778 6.053 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 2 +ATOM 2638 H HB3 . ARG A 1 64 ? -3.860 -1.779 6.142 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 2 +ATOM 2639 H HG2 . ARG A 1 64 ? -4.544 -2.205 8.364 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 2 +ATOM 2640 H HG3 . ARG A 1 64 ? -4.977 -0.531 8.031 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 2 +ATOM 2641 H HD2 . ARG A 1 64 ? -7.286 -1.134 7.751 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 2 +ATOM 2642 H HD3 . ARG A 1 64 ? -6.899 -2.851 7.835 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 2 +ATOM 2643 H HE . ARG A 1 64 ? -6.146 -1.291 10.133 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 2 +ATOM 2644 H HH11 . ARG A 1 64 ? -8.873 -2.977 8.669 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 2 +ATOM 2645 H HH12 . ARG A 1 64 ? -9.448 -3.699 10.069 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 2 +ATOM 2646 H HH21 . ARG A 1 64 ? -6.994 -2.160 12.201 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 2 +ATOM 2647 H HH22 . ARG A 1 64 ? -8.378 -3.148 12.168 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 2 +ATOM 2648 N N . LEU A 1 65 ? -3.950 -0.384 3.593 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 2 +ATOM 2649 C CA . LEU A 1 65 ? -3.262 -0.565 2.340 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 2 +ATOM 2650 C C . LEU A 1 65 ? -1.798 -0.813 2.662 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 2 +ATOM 2651 O O . LEU A 1 65 ? -1.209 -0.057 3.410 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 2 +ATOM 2652 C CB . LEU A 1 65 ? -3.490 0.692 1.454 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 2 +ATOM 2653 C CG . LEU A 1 65 ? -2.908 0.700 0.027 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 2 +ATOM 2654 C CD1 . LEU A 1 65 ? -3.613 1.751 -0.805 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 2 +ATOM 2655 C CD2 . LEU A 1 65 ? -1.428 1.021 0.048 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 2 +ATOM 2656 H H . LEU A 1 65 ? -3.614 0.284 4.230 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 2 +ATOM 2657 H HA . LEU A 1 65 ? -3.670 -1.438 1.852 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 2 +ATOM 2658 H HB2 . LEU A 1 65 ? -4.555 0.850 1.376 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 2 +ATOM 2659 H HB3 . LEU A 1 65 ? -3.076 1.537 1.984 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 2 +ATOM 2660 H HG . LEU A 1 65 ? -3.047 -0.265 -0.435 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 2 +ATOM 2661 H HD11 . LEU A 1 65 ? -3.486 2.720 -0.346 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 2 +ATOM 2662 H HD12 . LEU A 1 65 ? -4.665 1.513 -0.864 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 2 +ATOM 2663 H HD13 . LEU A 1 65 ? -3.191 1.764 -1.799 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 2 +ATOM 2664 H HD21 . LEU A 1 65 ? -1.052 1.040 -0.963 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 2 +ATOM 2665 H HD22 . LEU A 1 65 ? -0.902 0.268 0.618 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 2 +ATOM 2666 H HD23 . LEU A 1 65 ? -1.284 1.988 0.505 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 2 +ATOM 2667 N N . VAL A 1 66 ? -1.234 -1.877 2.135 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 2 +ATOM 2668 C CA . VAL A 1 66 ? 0.137 -2.249 2.441 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 2 +ATOM 2669 C C . VAL A 1 66 ? 1.002 -2.131 1.189 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 2 +ATOM 2670 O O . VAL A 1 66 ? 0.716 -2.755 0.148 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 2 +ATOM 2671 C CB . VAL A 1 66 ? 0.228 -3.698 3.004 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 2 +ATOM 2672 C CG1 . VAL A 1 66 ? 1.657 -4.041 3.409 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 2 +ATOM 2673 C CG2 . VAL A 1 66 ? -0.715 -3.888 4.187 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 2 +ATOM 2674 H H . VAL A 1 66 ? -1.724 -2.431 1.484 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 2 +ATOM 2675 H HA . VAL A 1 66 ? 0.507 -1.560 3.186 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 2 +ATOM 2676 H HB . VAL A 1 66 ? -0.069 -4.378 2.218 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 2 +ATOM 2677 H HG11 . VAL A 1 66 ? 2.312 -3.945 2.555 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 2 +ATOM 2678 H HG12 . VAL A 1 66 ? 1.692 -5.053 3.782 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 2 +ATOM 2679 H HG13 . VAL A 1 66 ? 1.980 -3.366 4.190 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 2 +ATOM 2680 H HG21 . VAL A 1 66 ? -1.730 -3.697 3.872 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 2 +ATOM 2681 H HG22 . VAL A 1 66 ? -0.445 -3.200 4.975 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 2 +ATOM 2682 H HG23 . VAL A 1 66 ? -0.635 -4.900 4.553 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 2 +ATOM 2683 N N . TYR A 1 67 ? 2.039 -1.347 1.284 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 2 +ATOM 2684 C CA . TYR A 1 67 ? 2.928 -1.119 0.177 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 2 +ATOM 2685 C C . TYR A 1 67 ? 4.362 -1.235 0.620 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 2 +ATOM 2686 O O . TYR A 1 67 ? 4.649 -1.149 1.805 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 2 +ATOM 2687 C CB . TYR A 1 67 ? 2.683 0.258 -0.478 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 2 +ATOM 2688 C CG . TYR A 1 67 ? 2.884 1.481 0.414 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 2 +ATOM 2689 C CD1 . TYR A 1 67 ? 4.150 1.870 0.848 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 2 +ATOM 2690 C CD2 . TYR A 1 67 ? 1.812 2.254 0.789 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 2 +ATOM 2691 C CE1 . TYR A 1 67 ? 4.323 2.981 1.628 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 2 +ATOM 2692 C CE2 . TYR A 1 67 ? 1.981 3.368 1.568 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 2 +ATOM 2693 C CZ . TYR A 1 67 ? 3.239 3.727 1.985 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 2 +ATOM 2694 O OH . TYR A 1 67 ? 3.408 4.835 2.766 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 2 +ATOM 2695 H H . TYR A 1 67 ? 2.235 -0.911 2.146 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 2 +ATOM 2696 H HA . TYR A 1 67 ? 2.737 -1.886 -0.558 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 2 +ATOM 2697 H HB2 . TYR A 1 67 ? 3.344 0.372 -1.323 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 2 +ATOM 2698 H HB3 . TYR A 1 67 ? 1.662 0.281 -0.831 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 2 +ATOM 2699 H HD1 . TYR A 1 67 ? 5.006 1.277 0.561 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 2 +ATOM 2700 H HD2 . TYR A 1 67 ? 0.823 1.971 0.463 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 2 +ATOM 2701 H HE1 . TYR A 1 67 ? 5.312 3.264 1.958 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 2 +ATOM 2702 H HE2 . TYR A 1 67 ? 1.117 3.956 1.837 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 2 +ATOM 2703 H HH . TYR A 1 67 ? 2.745 4.825 3.461 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 2 +ATOM 2704 N N . GLN A 1 68 ? 5.238 -1.461 -0.308 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 2 +ATOM 2705 C CA . GLN A 1 68 ? 6.644 -1.467 -0.024 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 2 +ATOM 2706 C C . GLN A 1 68 ? 7.271 -0.270 -0.708 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 2 +ATOM 2707 O O . GLN A 1 68 ? 6.866 0.104 -1.826 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 2 +ATOM 2708 C CB . GLN A 1 68 ? 7.314 -2.761 -0.494 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 2 +ATOM 2709 C CG . GLN A 1 68 ? 7.275 -2.974 -2.001 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 2 +ATOM 2710 C CD . GLN A 1 68 ? 7.941 -4.254 -2.447 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 2 +ATOM 2711 O OE1 . GLN A 1 68 ? 7.557 -4.839 -3.462 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 2 +ATOM 2712 N NE2 . GLN A 1 68 ? 8.934 -4.700 -1.718 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 2 +ATOM 2713 H H . GLN A 1 68 ? 4.937 -1.599 -1.234 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 2 +ATOM 2714 H HA . GLN A 1 68 ? 6.774 -1.355 1.041 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 2 +ATOM 2715 H HB2 . GLN A 1 68 ? 8.349 -2.735 -0.185 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 2 +ATOM 2716 H HB3 . GLN A 1 68 ? 6.829 -3.599 -0.015 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 2 +ATOM 2717 H HG2 . GLN A 1 68 ? 6.243 -2.999 -2.319 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 2 +ATOM 2718 H HG3 . GLN A 1 68 ? 7.771 -2.139 -2.475 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 2 +ATOM 2719 H HE21 . GLN A 1 68 ? 9.208 -4.192 -0.926 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 2 +ATOM 2720 H HE22 . GLN A 1 68 ? 9.373 -5.538 -1.977 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 2 +ATOM 2721 N N . VAL A 1 69 ? 8.190 0.354 -0.060 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 2 +ATOM 2722 C CA . VAL A 1 69 ? 8.870 1.467 -0.649 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 2 +ATOM 2723 C C . VAL A 1 69 ? 10.149 0.977 -1.271 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 2 +ATOM 2724 O O . VAL A 1 69 ? 11.063 0.551 -0.573 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 2 +ATOM 2725 C CB . VAL A 1 69 ? 9.179 2.579 0.393 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 2 +ATOM 2726 C CG1 . VAL A 1 69 ? 9.967 3.723 -0.234 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 2 +ATOM 2727 C CG2 . VAL A 1 69 ? 7.895 3.109 0.992 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 2 +ATOM 2728 H H . VAL A 1 69 ? 8.443 0.049 0.843 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 2 +ATOM 2729 H HA . VAL A 1 69 ? 8.238 1.875 -1.424 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 2 +ATOM 2730 H HB . VAL A 1 69 ? 9.772 2.149 1.187 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 2 +ATOM 2731 H HG11 . VAL A 1 69 ? 9.391 4.165 -1.034 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 2 +ATOM 2732 H HG12 . VAL A 1 69 ? 10.897 3.341 -0.629 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 2 +ATOM 2733 H HG13 . VAL A 1 69 ? 10.175 4.469 0.518 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 2 +ATOM 2734 H HG21 . VAL A 1 69 ? 8.131 3.867 1.724 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 2 +ATOM 2735 H HG22 . VAL A 1 69 ? 7.364 2.299 1.469 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 2 +ATOM 2736 H HG23 . VAL A 1 69 ? 7.278 3.538 0.215 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 2 +ATOM 2737 N N . ILE A 1 70 ? 10.208 1.011 -2.573 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 2 +ATOM 2738 C CA . ILE A 1 70 ? 11.392 0.613 -3.248 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 2 +ATOM 2739 C C . ILE A 1 70 ? 12.147 1.875 -3.566 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 2 +ATOM 2740 O O . ILE A 1 70 ? 11.876 2.553 -4.573 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 2 +ATOM 2741 C CB . ILE A 1 70 ? 11.096 -0.164 -4.552 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 2 +ATOM 2742 C CG1 . ILE A 1 70 ? 10.089 -1.295 -4.281 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 2 +ATOM 2743 C CG2 . ILE A 1 70 ? 12.396 -0.743 -5.108 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 2 +ATOM 2744 C CD1 . ILE A 1 70 ? 9.649 -2.047 -5.524 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 2 +ATOM 2745 H H . ILE A 1 70 ? 9.447 1.336 -3.104 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 2 +ATOM 2746 H HA . ILE A 1 70 ? 11.981 0.001 -2.579 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 2 +ATOM 2747 H HB . ILE A 1 70 ? 10.678 0.518 -5.278 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 2 +ATOM 2748 H HG12 . ILE A 1 70 ? 10.535 -2.006 -3.602 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 2 +ATOM 2749 H HG13 . ILE A 1 70 ? 9.210 -0.873 -3.818 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 2 +ATOM 2750 H HG21 . ILE A 1 70 ? 12.832 -1.407 -4.375 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 2 +ATOM 2751 H HG22 . ILE A 1 70 ? 13.085 0.060 -5.322 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 2 +ATOM 2752 H HG23 . ILE A 1 70 ? 12.186 -1.294 -6.012 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 2 +ATOM 2753 H HD11 . ILE A 1 70 ? 10.509 -2.498 -5.997 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 2 +ATOM 2754 H HD12 . ILE A 1 70 ? 9.182 -1.358 -6.212 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 2 +ATOM 2755 H HD13 . ILE A 1 70 ? 8.942 -2.816 -5.250 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 2 +ATOM 2756 N N . ASP A 1 71 ? 13.062 2.204 -2.710 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 2 +ATOM 2757 C CA . ASP A 1 71 ? 13.812 3.438 -2.807 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 2 +ATOM 2758 C C . ASP A 1 71 ? 14.797 3.370 -3.961 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 2 +ATOM 2759 O O . ASP A 1 71 ? 15.095 4.387 -4.592 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 2 +ATOM 2760 C CB . ASP A 1 71 ? 14.503 3.758 -1.474 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 2 +ATOM 2761 C CG . ASP A 1 71 ? 15.158 5.119 -1.454 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 2 +ATOM 2762 O OD1 . ASP A 1 71 ? 14.447 6.135 -1.364 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 2 +ATOM 2763 O OD2 . ASP A 1 71 ? 16.397 5.200 -1.494 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 2 +ATOM 2764 H H . ASP A 1 71 ? 13.262 1.580 -1.975 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 2 +ATOM 2765 H HA . ASP A 1 71 ? 13.102 4.222 -3.030 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 2 +ATOM 2766 H HB2 . ASP A 1 71 ? 13.770 3.728 -0.681 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 2 +ATOM 2767 H HB3 . ASP A 1 71 ? 15.258 3.010 -1.283 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 2 +ATOM 2768 N N . GLU A 1 72 ? 15.258 2.147 -4.266 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 2 +ATOM 2769 C CA . GLU A 1 72 ? 16.149 1.901 -5.409 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 2 +ATOM 2770 C C . GLU A 1 72 ? 15.487 2.324 -6.716 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 2 +ATOM 2771 O O . GLU A 1 72 ? 16.112 2.922 -7.580 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 2 +ATOM 2772 C CB . GLU A 1 72 ? 16.490 0.411 -5.544 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 2 +ATOM 2773 C CG . GLU A 1 72 ? 17.358 -0.194 -4.457 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 2 +ATOM 2774 C CD . GLU A 1 72 ? 17.650 -1.651 -4.749 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 2 +ATOM 2775 O OE1 . GLU A 1 72 ? 18.376 -1.935 -5.730 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 2 +ATOM 2776 O OE2 . GLU A 1 72 ? 17.120 -2.538 -4.057 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 2 +ATOM 2777 H H . GLU A 1 72 ? 15.008 1.406 -3.670 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 2 +ATOM 2778 H HA . GLU A 1 72 ? 17.063 2.456 -5.264 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 2 +ATOM 2779 H HB2 . GLU A 1 72 ? 15.566 -0.145 -5.563 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 2 +ATOM 2780 H HB3 . GLU A 1 72 ? 16.984 0.265 -6.492 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 2 +ATOM 2781 H HG2 . GLU A 1 72 ? 18.291 0.348 -4.405 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 2 +ATOM 2782 H HG3 . GLU A 1 72 ? 16.842 -0.130 -3.512 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 2 +ATOM 2783 N N . LYS A 1 73 ? 14.210 2.036 -6.837 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 2 +ATOM 2784 C CA . LYS A 1 73 ? 13.501 2.302 -8.072 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 2 +ATOM 2785 C C . LYS A 1 73 ? 12.724 3.608 -7.994 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 2 +ATOM 2786 O O . LYS A 1 73 ? 12.198 4.090 -9.009 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 2 +ATOM 2787 C CB . LYS A 1 73 ? 12.571 1.131 -8.416 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 2 +ATOM 2788 C CG . LYS A 1 73 ? 13.291 -0.188 -8.671 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 2 +ATOM 2789 C CD . LYS A 1 73 ? 12.308 -1.315 -8.971 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 2 +ATOM 2790 C CE . LYS A 1 73 ? 13.015 -2.657 -9.164 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 2 +ATOM 2791 N NZ . LYS A 1 73 ? 13.933 -2.661 -10.330 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 2 +ATOM 2792 H H . LYS A 1 73 ? 13.739 1.645 -6.073 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 2 +ATOM 2793 H HA . LYS A 1 73 ? 14.243 2.389 -8.850 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 2 +ATOM 2794 H HB2 . LYS A 1 73 ? 11.912 0.975 -7.576 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 2 +ATOM 2795 H HB3 . LYS A 1 73 ? 11.987 1.380 -9.290 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 2 +ATOM 2796 H HG2 . LYS A 1 73 ? 13.946 -0.066 -9.520 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 2 +ATOM 2797 H HG3 . LYS A 1 73 ? 13.871 -0.444 -7.797 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 2 +ATOM 2798 H HD2 . LYS A 1 73 ? 11.610 -1.404 -8.153 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 2 +ATOM 2799 H HD3 . LYS A 1 73 ? 11.767 -1.071 -9.873 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 2 +ATOM 2800 H HE2 . LYS A 1 73 ? 13.586 -2.880 -8.274 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 2 +ATOM 2801 H HE3 . LYS A 1 73 ? 12.266 -3.423 -9.302 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 2 +ATOM 2802 H HZ1 . LYS A 1 73 ? 13.402 -2.456 -11.203 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 2 +ATOM 2803 H HZ2 . LYS A 1 73 ? 14.383 -3.589 -10.457 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 2 +ATOM 2804 H HZ3 . LYS A 1 73 ? 14.681 -1.945 -10.243 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 2 +ATOM 2805 N N . VAL A 1 74 ? 12.702 4.193 -6.788 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 2 +ATOM 2806 C CA . VAL A 1 74 ? 11.998 5.456 -6.498 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 2 +ATOM 2807 C C . VAL A 1 74 ? 10.466 5.243 -6.680 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 2 +ATOM 2808 O O . VAL A 1 74 ? 9.711 6.133 -7.077 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 2 +ATOM 2809 C CB . VAL A 1 74 ? 12.545 6.644 -7.395 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 2 +ATOM 2810 C CG1 . VAL A 1 74 ? 11.965 7.995 -6.980 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 2 +ATOM 2811 C CG2 . VAL A 1 74 ? 14.072 6.707 -7.340 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 2 +ATOM 2812 H H . VAL A 1 74 ? 13.183 3.756 -6.054 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 2 +ATOM 2813 H HA . VAL A 1 74 ? 12.177 5.675 -5.454 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 2 +ATOM 2814 H HB . VAL A 1 74 ? 12.254 6.454 -8.417 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 2 +ATOM 2815 H HG11 . VAL A 1 74 ? 12.365 8.770 -7.617 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 2 +ATOM 2816 H HG12 . VAL A 1 74 ? 12.232 8.200 -5.954 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 2 +ATOM 2817 H HG13 . VAL A 1 74 ? 10.890 7.969 -7.071 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 2 +ATOM 2818 H HG21 . VAL A 1 74 ? 14.481 5.778 -7.710 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 2 +ATOM 2819 H HG22 . VAL A 1 74 ? 14.392 6.862 -6.320 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 2 +ATOM 2820 H HG23 . VAL A 1 74 ? 14.421 7.523 -7.956 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 2 +ATOM 2821 N N . VAL A 1 75 ? 10.002 4.072 -6.308 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 2 +ATOM 2822 C CA . VAL A 1 75 ? 8.604 3.757 -6.469 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 2 +ATOM 2823 C C . VAL A 1 75 ? 8.040 3.110 -5.209 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 2 +ATOM 2824 O O . VAL A 1 75 ? 8.701 2.310 -4.541 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 2 +ATOM 2825 C CB . VAL A 1 75 ? 8.338 2.855 -7.737 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 2 +ATOM 2826 C CG1 . VAL A 1 75 ? 9.046 1.521 -7.640 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 2 +ATOM 2827 C CG2 . VAL A 1 75 ? 6.846 2.645 -7.993 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 2 +ATOM 2828 H H . VAL A 1 75 ? 10.593 3.415 -5.879 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 2 +ATOM 2829 H HA . VAL A 1 75 ? 8.089 4.696 -6.612 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 2 +ATOM 2830 H HB . VAL A 1 75 ? 8.756 3.373 -8.589 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 2 +ATOM 2831 H HG11 . VAL A 1 75 ? 10.105 1.702 -7.532 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 2 +ATOM 2832 H HG12 . VAL A 1 75 ? 8.861 0.953 -8.540 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 2 +ATOM 2833 H HG13 . VAL A 1 75 ? 8.679 0.978 -6.780 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 2 +ATOM 2834 H HG21 . VAL A 1 75 ? 6.710 2.036 -8.875 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 2 +ATOM 2835 H HG22 . VAL A 1 75 ? 6.360 3.599 -8.133 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 2 +ATOM 2836 H HG23 . VAL A 1 75 ? 6.405 2.145 -7.143 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 2 +ATOM 2837 N N . VAL A 1 76 ? 6.862 3.517 -4.875 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 2 +ATOM 2838 C CA . VAL A 1 76 ? 6.104 2.958 -3.814 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 2 +ATOM 2839 C C . VAL A 1 76 ? 5.181 1.934 -4.451 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 2 +ATOM 2840 O O . VAL A 1 76 ? 4.321 2.277 -5.283 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 2 +ATOM 2841 C CB . VAL A 1 76 ? 5.295 4.064 -3.092 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 2 +ATOM 2842 C CG1 . VAL A 1 76 ? 4.366 3.479 -2.065 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 2 +ATOM 2843 C CG2 . VAL A 1 76 ? 6.236 5.058 -2.431 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 2 +ATOM 2844 H H . VAL A 1 76 ? 6.442 4.240 -5.392 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 2 +ATOM 2845 H HA . VAL A 1 76 ? 6.773 2.472 -3.119 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 2 +ATOM 2846 H HB . VAL A 1 76 ? 4.714 4.599 -3.828 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 2 +ATOM 2847 H HG11 . VAL A 1 76 ? 3.674 2.805 -2.549 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 2 +ATOM 2848 H HG12 . VAL A 1 76 ? 3.817 4.273 -1.581 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 2 +ATOM 2849 H HG13 . VAL A 1 76 ? 4.940 2.935 -1.330 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 2 +ATOM 2850 H HG21 . VAL A 1 76 ? 6.866 5.513 -3.181 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 2 +ATOM 2851 H HG22 . VAL A 1 76 ? 6.853 4.541 -1.711 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 2 +ATOM 2852 H HG23 . VAL A 1 76 ? 5.661 5.823 -1.931 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 2 +ATOM 2853 N N . PHE A 1 77 ? 5.378 0.700 -4.110 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 2 +ATOM 2854 C CA . PHE A 1 77 ? 4.689 -0.371 -4.762 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 2 +ATOM 2855 C C . PHE A 1 77 ? 3.699 -1.020 -3.813 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 2 +ATOM 2856 O O . PHE A 1 77 ? 4.091 -1.630 -2.816 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 2 +ATOM 2857 C CB . PHE A 1 77 ? 5.720 -1.388 -5.258 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 2 +ATOM 2858 C CG . PHE A 1 77 ? 5.183 -2.391 -6.223 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 2 +ATOM 2859 C CD1 . PHE A 1 77 ? 4.951 -2.022 -7.527 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 2 +ATOM 2860 C CD2 . PHE A 1 77 ? 4.918 -3.693 -5.839 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 2 +ATOM 2861 C CE1 . PHE A 1 77 ? 4.463 -2.919 -8.438 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 2 +ATOM 2862 C CE2 . PHE A 1 77 ? 4.428 -4.603 -6.753 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 2 +ATOM 2863 C CZ . PHE A 1 77 ? 4.201 -4.214 -8.054 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 2 +ATOM 2864 H H . PHE A 1 77 ? 5.999 0.491 -3.374 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 2 +ATOM 2865 H HA . PHE A 1 77 ? 4.165 0.029 -5.618 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 2 +ATOM 2866 H HB2 . PHE A 1 77 ? 6.524 -0.862 -5.751 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 2 +ATOM 2867 H HB3 . PHE A 1 77 ? 6.121 -1.920 -4.407 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 2 +ATOM 2868 H HD1 . PHE A 1 77 ? 5.161 -1.005 -7.824 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 2 +ATOM 2869 H HD2 . PHE A 1 77 ? 5.096 -3.995 -4.817 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 2 +ATOM 2870 H HE1 . PHE A 1 77 ? 4.285 -2.604 -9.454 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 2 +ATOM 2871 H HE2 . PHE A 1 77 ? 4.220 -5.620 -6.455 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 2 +ATOM 2872 H HZ . PHE A 1 77 ? 3.819 -4.923 -8.775 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 2 +ATOM 2873 N N . VAL A 1 78 ? 2.433 -0.866 -4.107 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 2 +ATOM 2874 C CA . VAL A 1 78 ? 1.374 -1.432 -3.296 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 2 +ATOM 2875 C C . VAL A 1 78 ? 1.292 -2.925 -3.542 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 2 +ATOM 2876 O O . VAL A 1 78 ? 1.168 -3.359 -4.682 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 2 +ATOM 2877 C CB . VAL A 1 78 ? 0.007 -0.766 -3.602 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 2 +ATOM 2878 C CG1 . VAL A 1 78 ? -1.103 -1.335 -2.718 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 2 +ATOM 2879 C CG2 . VAL A 1 78 ? 0.102 0.746 -3.447 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 2 +ATOM 2880 H H . VAL A 1 78 ? 2.196 -0.358 -4.917 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 2 +ATOM 2881 H HA . VAL A 1 78 ? 1.623 -1.264 -2.258 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 2 +ATOM 2882 H HB . VAL A 1 78 ? -0.244 -0.985 -4.630 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 2 +ATOM 2883 H HG11 . VAL A 1 78 ? -0.850 -1.172 -1.681 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 2 +ATOM 2884 H HG12 . VAL A 1 78 ? -1.200 -2.395 -2.899 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 2 +ATOM 2885 H HG13 . VAL A 1 78 ? -2.037 -0.841 -2.942 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 2 +ATOM 2886 H HG21 . VAL A 1 78 ? 0.436 0.991 -2.450 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 2 +ATOM 2887 H HG22 . VAL A 1 78 ? -0.868 1.188 -3.618 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 2 +ATOM 2888 H HG23 . VAL A 1 78 ? 0.805 1.136 -4.167 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 2 +ATOM 2889 N N . ILE A 1 79 ? 1.379 -3.701 -2.486 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 2 +ATOM 2890 C CA . ILE A 1 79 ? 1.368 -5.145 -2.607 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 2 +ATOM 2891 C C . ILE A 1 79 ? -0.033 -5.683 -2.335 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 2 +ATOM 2892 O O . ILE A 1 79 ? -0.520 -6.581 -3.020 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 2 +ATOM 2893 C CB . ILE A 1 79 ? 2.351 -5.805 -1.599 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 2 +ATOM 2894 C CG1 . ILE A 1 79 ? 3.751 -5.181 -1.706 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 2 +ATOM 2895 C CG2 . ILE A 1 79 ? 2.433 -7.315 -1.853 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 2 +ATOM 2896 C CD1 . ILE A 1 79 ? 4.733 -5.710 -0.679 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 2 +ATOM 2897 H H . ILE A 1 79 ? 1.438 -3.292 -1.595 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 2 +ATOM 2898 H HA . ILE A 1 79 ? 1.672 -5.410 -3.609 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 2 +ATOM 2899 H HB . ILE A 1 79 ? 1.967 -5.649 -0.601 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 2 +ATOM 2900 H HG12 . ILE A 1 79 ? 4.156 -5.386 -2.686 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 2 +ATOM 2901 H HG13 . ILE A 1 79 ? 3.670 -4.112 -1.572 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 2 +ATOM 2902 H HG21 . ILE A 1 79 ? 2.777 -7.490 -2.863 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 2 +ATOM 2903 H HG22 . ILE A 1 79 ? 1.459 -7.762 -1.720 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 2 +ATOM 2904 H HG23 . ILE A 1 79 ? 3.133 -7.755 -1.158 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 2 +ATOM 2905 H HD11 . ILE A 1 79 ? 5.695 -5.240 -0.822 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 2 +ATOM 2906 H HD12 . ILE A 1 79 ? 4.830 -6.779 -0.800 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 2 +ATOM 2907 H HD13 . ILE A 1 79 ? 4.367 -5.494 0.314 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 2 +ATOM 2908 N N . SER A 1 80 ? -0.683 -5.135 -1.334 1.00 0.00 ? ? ? ? ? ? 77 SER A N 2 +ATOM 2909 C CA . SER A 1 80 ? -1.987 -5.603 -0.928 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 2 +ATOM 2910 C C . SER A 1 80 ? -2.815 -4.446 -0.380 1.00 0.00 ? ? ? ? ? ? 77 SER A C 2 +ATOM 2911 O O . SER A 1 80 ? -2.265 -3.467 0.125 1.00 0.00 ? ? ? ? ? ? 77 SER A O 2 +ATOM 2912 C CB . SER A 1 80 ? -1.821 -6.697 0.131 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 2 +ATOM 2913 O OG . SER A 1 80 ? -1.057 -7.776 -0.384 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 2 +ATOM 2914 H H . SER A 1 80 ? -0.298 -4.379 -0.839 1.00 0.00 ? ? ? ? ? ? 77 SER A H 2 +ATOM 2915 H HA . SER A 1 80 ? -2.483 -6.025 -1.790 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 2 +ATOM 2916 H HB2 . SER A 1 80 ? -1.295 -6.287 0.982 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 2 +ATOM 2917 H HB3 . SER A 1 80 ? -2.789 -7.063 0.438 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 2 +ATOM 2918 H HG . SER A 1 80 ? -0.868 -7.591 -1.312 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 2 +ATOM 2919 N N . VAL A 1 81 ? -4.115 -4.542 -0.509 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 2 +ATOM 2920 C CA . VAL A 1 81 ? -5.008 -3.515 -0.039 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 2 +ATOM 2921 C C . VAL A 1 81 ? -6.340 -4.152 0.382 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 2 +ATOM 2922 O O . VAL A 1 81 ? -6.723 -5.198 -0.152 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 2 +ATOM 2923 C CB . VAL A 1 81 ? -5.214 -2.413 -1.136 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 2 +ATOM 2924 C CG1 . VAL A 1 81 ? -5.805 -2.980 -2.411 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 2 +ATOM 2925 C CG2 . VAL A 1 81 ? -6.048 -1.257 -0.625 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 2 +ATOM 2926 H H . VAL A 1 81 ? -4.529 -5.333 -0.916 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 2 +ATOM 2927 H HA . VAL A 1 81 ? -4.554 -3.065 0.832 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 2 +ATOM 2928 H HB . VAL A 1 81 ? -4.233 -2.035 -1.386 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 2 +ATOM 2929 H HG11 . VAL A 1 81 ? -5.932 -2.187 -3.133 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 2 +ATOM 2930 H HG12 . VAL A 1 81 ? -6.762 -3.431 -2.195 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 2 +ATOM 2931 H HG13 . VAL A 1 81 ? -5.136 -3.727 -2.813 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 2 +ATOM 2932 H HG21 . VAL A 1 81 ? -7.021 -1.621 -0.328 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 2 +ATOM 2933 H HG22 . VAL A 1 81 ? -6.157 -0.516 -1.403 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 2 +ATOM 2934 H HG23 . VAL A 1 81 ? -5.555 -0.814 0.227 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 2 +ATOM 2935 N N . GLY A 1 82 ? -6.983 -3.584 1.373 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 2 +ATOM 2936 C CA . GLY A 1 82 ? -8.260 -4.072 1.806 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 2 +ATOM 2937 C C . GLY A 1 82 ? -8.431 -3.889 3.276 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 2 +ATOM 2938 O O . GLY A 1 82 ? -8.306 -2.786 3.784 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 2 +ATOM 2939 H H . GLY A 1 82 ? -6.582 -2.827 1.859 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 2 +ATOM 2940 H HA2 . GLY A 1 82 ? -9.033 -3.518 1.296 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 2 +ATOM 2941 H HA3 . GLY A 1 82 ? -8.352 -5.119 1.568 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 2 +ATOM 2942 N N . LYS A 1 83 ? -8.707 -4.944 3.964 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 2 +ATOM 2943 C CA . LYS A 1 83 ? -8.861 -4.897 5.387 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 2 +ATOM 2944 C C . LYS A 1 83 ? -7.894 -5.862 6.031 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 2 +ATOM 2945 O O . LYS A 1 83 ? -7.284 -6.676 5.348 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 2 +ATOM 2946 C CB . LYS A 1 83 ? -10.314 -5.156 5.804 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 2 +ATOM 2947 C CG . LYS A 1 83 ? -11.273 -4.055 5.350 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 2 +ATOM 2948 C CD . LYS A 1 83 ? -12.721 -4.333 5.729 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 2 +ATOM 2949 C CE . LYS A 1 83 ? -13.276 -5.549 5.004 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 2 +ATOM 2950 N NZ . LYS A 1 83 ? -14.691 -5.785 5.340 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 2 +ATOM 2951 H H . LYS A 1 83 ? -8.805 -5.815 3.520 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 2 +ATOM 2952 H HA . LYS A 1 83 ? -8.579 -3.900 5.692 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 2 +ATOM 2953 H HB2 . LYS A 1 83 ? -10.639 -6.098 5.390 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 2 +ATOM 2954 H HB3 . LYS A 1 83 ? -10.349 -5.207 6.883 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 2 +ATOM 2955 H HG2 . LYS A 1 83 ? -10.974 -3.126 5.810 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 2 +ATOM 2956 H HG3 . LYS A 1 83 ? -11.201 -3.957 4.276 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 2 +ATOM 2957 H HD2 . LYS A 1 83 ? -12.776 -4.510 6.793 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 2 +ATOM 2958 H HD3 . LYS A 1 83 ? -13.318 -3.468 5.479 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 2 +ATOM 2959 H HE2 . LYS A 1 83 ? -13.188 -5.396 3.939 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 2 +ATOM 2960 H HE3 . LYS A 1 83 ? -12.698 -6.414 5.293 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 2 +ATOM 2961 H HZ1 . LYS A 1 83 ? -14.800 -5.912 6.366 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 2 +ATOM 2962 H HZ2 . LYS A 1 83 ? -15.042 -6.656 4.893 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 2 +ATOM 2963 H HZ3 . LYS A 1 83 ? -15.297 -4.994 5.047 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 2 +ATOM 2964 N N . ALA A 1 84 ? -7.736 -5.759 7.320 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 2 +ATOM 2965 C CA . ALA A 1 84 ? -6.766 -6.560 8.029 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 2 +ATOM 2966 C C . ALA A 1 84 ? -7.459 -7.320 9.136 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 2 +ATOM 2967 O O . ALA A 1 84 ? -6.854 -7.673 10.153 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 2 +ATOM 2968 C CB . ALA A 1 84 ? -5.679 -5.656 8.586 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 2 +ATOM 2969 H H . ALA A 1 84 ? -8.310 -5.159 7.844 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 2 +ATOM 2970 H HA . ALA A 1 84 ? -6.321 -7.257 7.335 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 2 +ATOM 2971 H HB1 . ALA A 1 84 ? -5.207 -5.119 7.776 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 2 +ATOM 2972 H HB2 . ALA A 1 84 ? -4.940 -6.262 9.089 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 2 +ATOM 2973 H HB3 . ALA A 1 84 ? -6.111 -4.954 9.283 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 2 +ATOM 2974 N N . GLU A 1 85 ? -8.701 -7.654 8.872 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 2 +ATOM 2975 C CA . GLU A 1 85 ? -9.577 -8.296 9.835 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 2 +ATOM 2976 C C . GLU A 1 85 ? -9.058 -9.679 10.195 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 2 +ATOM 2977 O O . GLU A 1 85 ? -9.056 -10.076 11.361 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 2 +ATOM 2978 C CB . GLU A 1 85 ? -10.995 -8.413 9.271 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 2 +ATOM 2979 C CG . GLU A 1 85 ? -11.566 -7.107 8.740 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 2 +ATOM 2980 C CD . GLU A 1 85 ? -11.466 -5.973 9.730 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 2 +ATOM 2981 O OE1 . GLU A 1 85 ? -12.313 -5.878 10.639 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 2 +ATOM 2982 O OE2 . GLU A 1 85 ? -10.529 -5.160 9.617 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 2 +ATOM 2983 H H . GLU A 1 85 ? -9.025 -7.489 7.963 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 2 +ATOM 2984 H HA . GLU A 1 85 ? -9.608 -7.687 10.725 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 2 +ATOM 2985 H HB2 . GLU A 1 85 ? -10.986 -9.131 8.465 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 2 +ATOM 2986 H HB3 . GLU A 1 85 ? -11.642 -8.776 10.054 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 2 +ATOM 2987 H HG2 . GLU A 1 85 ? -11.028 -6.838 7.844 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 2 +ATOM 2988 H HG3 . GLU A 1 85 ? -12.607 -7.263 8.495 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 2 +ATOM 2989 N N . ALA A 1 86 ? -8.580 -10.386 9.205 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 2 +ATOM 2990 C CA . ALA A 1 86 ? -8.051 -11.718 9.394 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 2 +ATOM 2991 C C . ALA A 1 86 ? -6.576 -11.711 9.050 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 2 +ATOM 2992 O O . ALA A 1 86 ? -5.964 -12.759 8.861 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 2 +ATOM 2993 C CB . ALA A 1 86 ? -8.801 -12.710 8.514 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 2 +ATOM 2994 H H . ALA A 1 86 ? -8.552 -9.996 8.297 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 2 +ATOM 2995 H HA . ALA A 1 86 ? -8.180 -11.996 10.429 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 2 +ATOM 2996 H HB1 . ALA A 1 86 ? -8.679 -12.436 7.477 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 2 +ATOM 2997 H HB2 . ALA A 1 86 ? -9.850 -12.698 8.770 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 2 +ATOM 2998 H HB3 . ALA A 1 86 ? -8.405 -13.702 8.672 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 2 +ATOM 2999 N N . SER A 1 87 ? -6.020 -10.496 8.981 1.00 0.00 ? ? ? ? ? ? 84 SER A N 2 +ATOM 3000 C CA . SER A 1 87 ? -4.622 -10.243 8.633 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 2 +ATOM 3001 C C . SER A 1 87 ? -4.342 -10.643 7.172 1.00 0.00 ? ? ? ? ? ? 84 SER A C 2 +ATOM 3002 O O . SER A 1 87 ? -3.188 -10.803 6.776 1.00 0.00 ? ? ? ? ? ? 84 SER A O 2 +ATOM 3003 C CB . SER A 1 87 ? -3.678 -10.984 9.601 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 2 +ATOM 3004 O OG . SER A 1 87 ? -3.957 -10.624 10.949 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 2 +ATOM 3005 H H . SER A 1 87 ? -6.607 -9.734 9.168 1.00 0.00 ? ? ? ? ? ? 84 SER A H 2 +ATOM 3006 H HA . SER A 1 87 ? -4.461 -9.180 8.726 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 2 +ATOM 3007 H HB2 . SER A 1 87 ? -3.818 -12.049 9.488 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 2 +ATOM 3008 H HB3 . SER A 1 87 ? -2.653 -10.731 9.374 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 2 +ATOM 3009 H HG . SER A 1 87 ? -4.916 -10.602 11.058 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 2 +ATOM 3010 N N . GLU A 1 88 ? -5.404 -10.683 6.363 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 2 +ATOM 3011 C CA . GLU A 1 88 ? -5.357 -11.138 4.994 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 2 +ATOM 3012 C C . GLU A 1 88 ? -4.385 -10.325 4.135 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 2 +ATOM 3013 O O . GLU A 1 88 ? -3.610 -10.893 3.360 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 2 +ATOM 3014 C CB . GLU A 1 88 ? -6.772 -11.202 4.355 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 2 +ATOM 3015 C CG . GLU A 1 88 ? -7.621 -9.919 4.429 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 2 +ATOM 3016 C CD . GLU A 1 88 ? -8.351 -9.718 5.754 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 2 +ATOM 3017 O OE1 . GLU A 1 88 ? -7.701 -9.472 6.781 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 2 +ATOM 3018 O OE2 . GLU A 1 88 ? -9.598 -9.783 5.771 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 2 +ATOM 3019 H H . GLU A 1 88 ? -6.282 -10.362 6.685 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 2 +ATOM 3020 H HA . GLU A 1 88 ? -4.969 -12.144 5.033 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 2 +ATOM 3021 H HB2 . GLU A 1 88 ? -6.645 -11.442 3.314 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 2 +ATOM 3022 H HB3 . GLU A 1 88 ? -7.324 -12.002 4.826 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 2 +ATOM 3023 H HG2 . GLU A 1 88 ? -6.966 -9.074 4.276 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 2 +ATOM 3024 H HG3 . GLU A 1 88 ? -8.349 -9.949 3.632 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 2 +ATOM 3025 N N . VAL A 1 89 ? -4.378 -9.009 4.318 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 2 +ATOM 3026 C CA . VAL A 1 89 ? -3.464 -8.143 3.566 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 2 +ATOM 3027 C C . VAL A 1 89 ? -2.004 -8.381 3.946 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 2 +ATOM 3028 O O . VAL A 1 89 ? -1.102 -8.134 3.160 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 2 +ATOM 3029 C CB . VAL A 1 89 ? -3.803 -6.631 3.689 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 2 +ATOM 3030 C CG1 . VAL A 1 89 ? -5.135 -6.332 3.034 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 2 +ATOM 3031 C CG2 . VAL A 1 89 ? -3.810 -6.176 5.148 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 2 +ATOM 3032 H H . VAL A 1 89 ? -5.020 -8.621 4.949 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 2 +ATOM 3033 H HA . VAL A 1 89 ? -3.570 -8.431 2.529 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 2 +ATOM 3034 H HB . VAL A 1 89 ? -3.044 -6.075 3.159 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 2 +ATOM 3035 H HG11 . VAL A 1 89 ? -5.910 -6.905 3.519 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 2 +ATOM 3036 H HG12 . VAL A 1 89 ? -5.092 -6.595 1.987 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 2 +ATOM 3037 H HG13 . VAL A 1 89 ? -5.355 -5.279 3.130 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 2 +ATOM 3038 H HG21 . VAL A 1 89 ? -2.834 -6.342 5.580 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 2 +ATOM 3039 H HG22 . VAL A 1 89 ? -4.549 -6.740 5.696 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 2 +ATOM 3040 H HG23 . VAL A 1 89 ? -4.051 -5.125 5.196 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 2 +ATOM 3041 N N . TYR A 1 90 ? -1.779 -8.887 5.140 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 2 +ATOM 3042 C CA . TYR A 1 90 ? -0.433 -9.162 5.576 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 2 +ATOM 3043 C C . TYR A 1 90 ? -0.016 -10.496 5.033 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 2 +ATOM 3044 O O . TYR A 1 90 ? 1.091 -10.646 4.536 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 2 +ATOM 3045 C CB . TYR A 1 90 ? -0.310 -9.139 7.102 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 2 +ATOM 3046 C CG . TYR A 1 90 ? -0.693 -7.816 7.722 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 2 +ATOM 3047 C CD1 . TYR A 1 90 ? 0.022 -6.663 7.434 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 2 +ATOM 3048 C CD2 . TYR A 1 90 ? -1.764 -7.720 8.596 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 2 +ATOM 3049 C CE1 . TYR A 1 90 ? -0.321 -5.453 7.997 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 2 +ATOM 3050 C CE2 . TYR A 1 90 ? -2.112 -6.515 9.164 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 2 +ATOM 3051 C CZ . TYR A 1 90 ? -1.390 -5.386 8.860 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 2 +ATOM 3052 O OH . TYR A 1 90 ? -1.736 -4.183 9.425 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 2 +ATOM 3053 H H . TYR A 1 90 ? -2.536 -9.117 5.720 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 2 +ATOM 3054 H HA . TYR A 1 90 ? 0.208 -8.402 5.154 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 2 +ATOM 3055 H HB2 . TYR A 1 90 ? -0.953 -9.902 7.516 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 2 +ATOM 3056 H HB3 . TYR A 1 90 ? 0.711 -9.355 7.376 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 2 +ATOM 3057 H HD1 . TYR A 1 90 ? 0.859 -6.723 6.755 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 2 +ATOM 3058 H HD2 . TYR A 1 90 ? -2.329 -8.608 8.835 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 2 +ATOM 3059 H HE1 . TYR A 1 90 ? 0.249 -4.567 7.760 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 2 +ATOM 3060 H HE2 . TYR A 1 90 ? -2.949 -6.460 9.843 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 2 +ATOM 3061 H HH . TYR A 1 90 ? -1.781 -3.508 8.740 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 2 +ATOM 3062 N N . SER A 1 91 ? -0.943 -11.447 5.084 1.00 0.00 ? ? ? ? ? ? 88 SER A N 2 +ATOM 3063 C CA . SER A 1 91 ? -0.727 -12.789 4.590 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 2 +ATOM 3064 C C . SER A 1 91 ? -0.365 -12.770 3.103 1.00 0.00 ? ? ? ? ? ? 88 SER A C 2 +ATOM 3065 O O . SER A 1 91 ? 0.556 -13.470 2.663 1.00 0.00 ? ? ? ? ? ? 88 SER A O 2 +ATOM 3066 C CB . SER A 1 91 ? -2.000 -13.600 4.789 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 2 +ATOM 3067 O OG . SER A 1 91 ? -2.424 -13.556 6.146 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 2 +ATOM 3068 H H . SER A 1 91 ? -1.819 -11.246 5.481 1.00 0.00 ? ? ? ? ? ? 88 SER A H 2 +ATOM 3069 H HA . SER A 1 91 ? 0.067 -13.246 5.158 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 2 +ATOM 3070 H HB2 . SER A 1 91 ? -2.781 -13.188 4.167 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 2 +ATOM 3071 H HB3 . SER A 1 91 ? -1.819 -14.626 4.508 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 2 +ATOM 3072 H HG . SER A 1 91 ? -1.648 -13.451 6.712 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 2 +ATOM 3073 N N . GLU A 1 92 ? -1.084 -11.962 2.346 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 2 +ATOM 3074 C CA . GLU A 1 92 ? -0.871 -11.856 0.923 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 2 +ATOM 3075 C C . GLU A 1 92 ? 0.528 -11.289 0.646 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 2 +ATOM 3076 O O . GLU A 1 92 ? 1.319 -11.873 -0.112 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 2 +ATOM 3077 C CB . GLU A 1 92 ? -1.946 -10.952 0.314 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 2 +ATOM 3078 C CG . GLU A 1 92 ? -1.997 -10.989 -1.197 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 2 +ATOM 3079 C CD . GLU A 1 92 ? -2.365 -12.353 -1.703 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 2 +ATOM 3080 O OE1 . GLU A 1 92 ? -3.574 -12.648 -1.822 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 2 +ATOM 3081 O OE2 . GLU A 1 92 ? -1.473 -13.156 -1.978 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 2 +ATOM 3082 H H . GLU A 1 92 ? -1.799 -11.426 2.756 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 2 +ATOM 3083 H HA . GLU A 1 92 ? -0.950 -12.841 0.489 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 2 +ATOM 3084 H HB2 . GLU A 1 92 ? -2.910 -11.259 0.690 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 2 +ATOM 3085 H HB3 . GLU A 1 92 ? -1.759 -9.935 0.624 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 2 +ATOM 3086 H HG2 . GLU A 1 92 ? -2.729 -10.275 -1.544 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 2 +ATOM 3087 H HG3 . GLU A 1 92 ? -1.024 -10.728 -1.586 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 2 +ATOM 3088 N N . ALA A 1 93 ? 0.838 -10.189 1.313 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 2 +ATOM 3089 C CA . ALA A 1 93 ? 2.101 -9.499 1.145 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 2 +ATOM 3090 C C . ALA A 1 93 ? 3.293 -10.366 1.549 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 2 +ATOM 3091 O O . ALA A 1 93 ? 4.230 -10.553 0.762 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 2 +ATOM 3092 C CB . ALA A 1 93 ? 2.099 -8.193 1.928 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 2 +ATOM 3093 H H . ALA A 1 93 ? 0.177 -9.815 1.933 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 2 +ATOM 3094 H HA . ALA A 1 93 ? 2.196 -9.255 0.097 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 2 +ATOM 3095 H HB1 . ALA A 1 93 ? 2.037 -8.410 2.984 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 2 +ATOM 3096 H HB2 . ALA A 1 93 ? 1.247 -7.596 1.635 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 2 +ATOM 3097 H HB3 . ALA A 1 93 ? 3.008 -7.649 1.725 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 2 +ATOM 3098 N N . VAL A 1 94 ? 3.237 -10.941 2.747 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 2 +ATOM 3099 C CA . VAL A 1 94 ? 4.359 -11.711 3.266 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 2 +ATOM 3100 C C . VAL A 1 94 ? 4.599 -12.991 2.456 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 2 +ATOM 3101 O O . VAL A 1 94 ? 5.731 -13.407 2.285 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 2 +ATOM 3102 C CB . VAL A 1 94 ? 4.243 -12.020 4.807 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 2 +ATOM 3103 C CG1 . VAL A 1 94 ? 3.088 -12.959 5.132 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 2 +ATOM 3104 C CG2 . VAL A 1 94 ? 5.560 -12.554 5.368 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 2 +ATOM 3105 H H . VAL A 1 94 ? 2.424 -10.839 3.293 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 2 +ATOM 3106 H HA . VAL A 1 94 ? 5.230 -11.090 3.113 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 2 +ATOM 3107 H HB . VAL A 1 94 ? 4.028 -11.083 5.299 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 2 +ATOM 3108 H HG11 . VAL A 1 94 ? 3.062 -13.147 6.195 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 2 +ATOM 3109 H HG12 . VAL A 1 94 ? 3.216 -13.891 4.603 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 2 +ATOM 3110 H HG13 . VAL A 1 94 ? 2.159 -12.498 4.825 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 2 +ATOM 3111 H HG21 . VAL A 1 94 ? 6.339 -11.820 5.223 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 2 +ATOM 3112 H HG22 . VAL A 1 94 ? 5.826 -13.467 4.855 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 2 +ATOM 3113 H HG23 . VAL A 1 94 ? 5.446 -12.756 6.424 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 2 +ATOM 3114 N N . LYS A 1 95 ? 3.546 -13.586 1.918 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 2 +ATOM 3115 C CA . LYS A 1 95 ? 3.710 -14.806 1.135 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 2 +ATOM 3116 C C . LYS A 1 95 ? 4.231 -14.550 -0.261 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 2 +ATOM 3117 O O . LYS A 1 95 ? 4.677 -15.470 -0.935 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 2 +ATOM 3118 C CB . LYS A 1 95 ? 2.463 -15.686 1.116 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 2 +ATOM 3119 C CG . LYS A 1 95 ? 2.090 -16.345 2.460 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 2 +ATOM 3120 C CD . LYS A 1 95 ? 3.239 -17.169 3.049 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 2 +ATOM 3121 C CE . LYS A 1 95 ? 4.105 -16.354 4.006 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 2 +ATOM 3122 N NZ . LYS A 1 95 ? 5.346 -17.051 4.358 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 2 +ATOM 3123 H H . LYS A 1 95 ? 2.648 -13.207 2.043 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 2 +ATOM 3124 H HA . LYS A 1 95 ? 4.499 -15.359 1.622 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 2 +ATOM 3125 H HB2 . LYS A 1 95 ? 1.626 -15.079 0.804 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 2 +ATOM 3126 H HB3 . LYS A 1 95 ? 2.611 -16.468 0.387 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 2 +ATOM 3127 H HG2 . LYS A 1 95 ? 1.820 -15.576 3.168 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 2 +ATOM 3128 H HG3 . LYS A 1 95 ? 1.242 -16.992 2.295 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 2 +ATOM 3129 H HD2 . LYS A 1 95 ? 2.825 -18.006 3.591 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 2 +ATOM 3130 H HD3 . LYS A 1 95 ? 3.856 -17.535 2.242 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 2 +ATOM 3131 H HE2 . LYS A 1 95 ? 4.352 -15.401 3.563 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 2 +ATOM 3132 H HE3 . LYS A 1 95 ? 3.537 -16.181 4.908 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 2 +ATOM 3133 H HZ1 . LYS A 1 95 ? 5.846 -16.547 5.118 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 2 +ATOM 3134 H HZ2 . LYS A 1 95 ? 5.975 -17.083 3.523 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 2 +ATOM 3135 H HZ3 . LYS A 1 95 ? 5.164 -18.023 4.677 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 2 +ATOM 3136 N N . ARG A 1 96 ? 4.178 -13.315 -0.712 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 2 +ATOM 3137 C CA . ARG A 1 96 ? 4.762 -13.004 -1.999 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 2 +ATOM 3138 C C . ARG A 1 96 ? 6.270 -12.861 -1.808 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 2 +ATOM 3139 O O . ARG A 1 96 ? 7.077 -13.263 -2.652 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 2 +ATOM 3140 C CB . ARG A 1 96 ? 4.205 -11.702 -2.575 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 2 +ATOM 3141 C CG . ARG A 1 96 ? 4.525 -11.520 -4.055 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 2 +ATOM 3142 C CD . ARG A 1 96 ? 4.402 -10.075 -4.482 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 2 +ATOM 3143 N NE . ARG A 1 96 ? 5.469 -9.268 -3.883 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 2 +ATOM 3144 C CZ . ARG A 1 96 ? 5.647 -7.959 -4.044 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 2 +ATOM 3145 N NH1 . ARG A 1 96 ? 4.833 -7.252 -4.830 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 2 +ATOM 3146 N NH2 . ARG A 1 96 ? 6.669 -7.368 -3.437 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 2 +ATOM 3147 H H . ARG A 1 96 ? 3.724 -12.617 -0.188 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 2 +ATOM 3148 H HA . ARG A 1 96 ? 4.571 -13.822 -2.673 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 2 +ATOM 3149 H HB2 . ARG A 1 96 ? 3.133 -11.696 -2.453 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 2 +ATOM 3150 H HB3 . ARG A 1 96 ? 4.630 -10.871 -2.033 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 2 +ATOM 3151 H HG2 . ARG A 1 96 ? 5.538 -11.852 -4.234 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 2 +ATOM 3152 H HG3 . ARG A 1 96 ? 3.844 -12.122 -4.638 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 2 +ATOM 3153 H HD2 . ARG A 1 96 ? 4.476 -10.018 -5.557 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 2 +ATOM 3154 H HD3 . ARG A 1 96 ? 3.446 -9.691 -4.159 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 2 +ATOM 3155 H HE . ARG A 1 96 ? 6.108 -9.778 -3.333 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 2 +ATOM 3156 H HH11 . ARG A 1 96 ? 4.059 -7.667 -5.335 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 2 +ATOM 3157 H HH12 . ARG A 1 96 ? 4.945 -6.270 -4.973 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 2 +ATOM 3158 H HH21 . ARG A 1 96 ? 7.317 -7.876 -2.860 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 2 +ATOM 3159 H HH22 . ARG A 1 96 ? 6.870 -6.384 -3.520 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 2 +ATOM 3160 N N . ILE A 1 97 ? 6.627 -12.336 -0.664 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 2 +ATOM 3161 C CA . ILE A 1 97 ? 8.007 -12.049 -0.318 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 2 +ATOM 3162 C C . ILE A 1 97 ? 8.715 -13.305 0.224 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 2 +ATOM 3163 O O . ILE A 1 97 ? 9.914 -13.511 0.001 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 2 +ATOM 3164 C CB . ILE A 1 97 ? 8.046 -10.890 0.714 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 2 +ATOM 3165 C CG1 . ILE A 1 97 ? 7.313 -9.679 0.124 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 2 +ATOM 3166 C CG2 . ILE A 1 97 ? 9.484 -10.517 1.072 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 2 +ATOM 3167 C CD1 . ILE A 1 97 ? 7.130 -8.530 1.075 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 2 +ATOM 3168 H H . ILE A 1 97 ? 5.925 -12.123 -0.013 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 2 +ATOM 3169 H HA . ILE A 1 97 ? 8.516 -11.729 -1.214 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 2 +ATOM 3170 H HB . ILE A 1 97 ? 7.530 -11.199 1.611 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 2 +ATOM 3171 H HG12 . ILE A 1 97 ? 7.870 -9.311 -0.724 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 2 +ATOM 3172 H HG13 . ILE A 1 97 ? 6.335 -9.993 -0.214 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 2 +ATOM 3173 H HG21 . ILE A 1 97 ? 10.004 -10.196 0.182 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 2 +ATOM 3174 H HG22 . ILE A 1 97 ? 9.985 -11.376 1.494 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 2 +ATOM 3175 H HG23 . ILE A 1 97 ? 9.475 -9.714 1.795 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 2 +ATOM 3176 H HD11 . ILE A 1 97 ? 8.094 -8.188 1.420 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 2 +ATOM 3177 H HD12 . ILE A 1 97 ? 6.532 -8.869 1.908 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 2 +ATOM 3178 H HD13 . ILE A 1 97 ? 6.616 -7.732 0.561 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 2 +ATOM 3179 N N . LEU A 1 98 ? 7.989 -14.130 0.924 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 2 +ATOM 3180 C CA . LEU A 1 98 ? 8.524 -15.364 1.438 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 2 +ATOM 3181 C C . LEU A 1 98 ? 7.526 -16.482 1.181 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 2 +ATOM 3182 O O . LEU A 1 98 ? 6.797 -16.886 2.114 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 2 +ATOM 3183 C CB . LEU A 1 98 ? 8.824 -15.241 2.944 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 2 +ATOM 3184 C CG . LEU A 1 98 ? 9.450 -16.475 3.611 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 2 +ATOM 3185 C CD1 . LEU A 1 98 ? 10.827 -16.769 3.038 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 2 +ATOM 3186 C CD2 . LEU A 1 98 ? 9.509 -16.304 5.118 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 2 +ATOM 3187 O OXT . LEU A 1 98 ? 7.433 -16.946 0.031 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 2 +ATOM 3188 H H . LEU A 1 98 ? 7.049 -13.926 1.129 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 2 +ATOM 3189 H HA . LEU A 1 98 ? 9.440 -15.576 0.908 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 2 +ATOM 3190 H HB2 . LEU A 1 98 ? 9.494 -14.406 3.085 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 2 +ATOM 3191 H HB3 . LEU A 1 98 ? 7.898 -15.018 3.452 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 2 +ATOM 3192 H HG . LEU A 1 98 ? 8.825 -17.330 3.392 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 2 +ATOM 3193 H HD11 . LEU A 1 98 ? 11.251 -17.627 3.536 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 2 +ATOM 3194 H HD12 . LEU A 1 98 ? 11.467 -15.912 3.183 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 2 +ATOM 3195 H HD13 . LEU A 1 98 ? 10.739 -16.978 1.981 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 2 +ATOM 3196 H HD21 . LEU A 1 98 ? 9.978 -17.169 5.563 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 2 +ATOM 3197 H HD22 . LEU A 1 98 ? 8.506 -16.203 5.507 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 2 +ATOM 3198 H HD23 . LEU A 1 98 ? 10.079 -15.420 5.360 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 2 +ATOM 3199 N N . MET A 1 4 ? 12.213 14.189 -1.788 1.00 0.00 ? ? ? ? ? ? 1 MET A N 3 +ATOM 3200 C CA . MET A 1 4 ? 12.256 13.166 -2.817 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 3 +ATOM 3201 C C . MET A 1 4 ? 10.875 12.584 -2.947 1.00 0.00 ? ? ? ? ? ? 1 MET A C 3 +ATOM 3202 O O . MET A 1 4 ? 10.178 12.424 -1.950 1.00 0.00 ? ? ? ? ? ? 1 MET A O 3 +ATOM 3203 C CB . MET A 1 4 ? 13.246 12.058 -2.435 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 3 +ATOM 3204 C CG . MET A 1 4 ? 13.489 11.022 -3.528 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 3 +ATOM 3205 S SD . MET A 1 4 ? 14.595 9.691 -3.001 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 3 +ATOM 3206 C CE . MET A 1 4 ? 14.750 8.767 -4.530 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 3 +ATOM 3207 H H . MET A 1 4 ? 11.844 13.772 -0.913 1.00 0.00 ? ? ? ? ? ? 1 MET A H 3 +ATOM 3208 H HA . MET A 1 4 ? 12.549 13.614 -3.753 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 3 +ATOM 3209 H HB2 . MET A 1 4 ? 14.193 12.508 -2.181 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 3 +ATOM 3210 H HB3 . MET A 1 4 ? 12.850 11.548 -1.572 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 3 +ATOM 3211 H HG2 . MET A 1 4 ? 12.542 10.587 -3.814 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 3 +ATOM 3212 H HG3 . MET A 1 4 ? 13.928 11.519 -4.381 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 3 +ATOM 3213 H HE1 . MET A 1 4 ? 15.395 7.916 -4.374 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 3 +ATOM 3214 H HE2 . MET A 1 4 ? 15.170 9.401 -5.296 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 3 +ATOM 3215 H HE3 . MET A 1 4 ? 13.774 8.426 -4.843 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 3 +ATOM 3216 N N . ALA A 1 5 ? 10.477 12.297 -4.144 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 3 +ATOM 3217 C CA . ALA A 1 5 ? 9.206 11.670 -4.399 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 3 +ATOM 3218 C C . ALA A 1 5 ? 9.470 10.342 -5.055 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 3 +ATOM 3219 O O . ALA A 1 5 ? 10.590 10.084 -5.508 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 3 +ATOM 3220 C CB . ALA A 1 5 ? 8.319 12.536 -5.278 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 3 +ATOM 3221 H H . ALA A 1 5 ? 11.078 12.481 -4.900 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 3 +ATOM 3222 H HA . ALA A 1 5 ? 8.721 11.504 -3.448 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 3 +ATOM 3223 H HB1 . ALA A 1 5 ? 7.376 12.030 -5.424 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 3 +ATOM 3224 H HB2 . ALA A 1 5 ? 8.798 12.696 -6.232 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 3 +ATOM 3225 H HB3 . ALA A 1 5 ? 8.145 13.484 -4.789 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 3 +ATOM 3226 N N . TYR A 1 6 ? 8.485 9.503 -5.103 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 3 +ATOM 3227 C CA . TYR A 1 6 ? 8.647 8.178 -5.655 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 3 +ATOM 3228 C C . TYR A 1 6 ? 7.494 7.881 -6.569 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 3 +ATOM 3229 O O . TYR A 1 6 ? 6.500 8.620 -6.579 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 3 +ATOM 3230 C CB . TYR A 1 6 ? 8.692 7.122 -4.528 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 3 +ATOM 3231 C CG . TYR A 1 6 ? 9.844 7.280 -3.557 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 3 +ATOM 3232 C CD1 . TYR A 1 6 ? 9.771 8.185 -2.509 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 3 +ATOM 3233 C CD2 . TYR A 1 6 ? 11.008 6.538 -3.699 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 3 +ATOM 3234 C CE1 . TYR A 1 6 ? 10.814 8.349 -1.633 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 3 +ATOM 3235 C CE2 . TYR A 1 6 ? 12.064 6.699 -2.822 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 3 +ATOM 3236 C CZ . TYR A 1 6 ? 11.957 7.610 -1.790 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 3 +ATOM 3237 O OH . TYR A 1 6 ? 12.995 7.780 -0.907 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 3 +ATOM 3238 H H . TYR A 1 6 ? 7.597 9.768 -4.781 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 3 +ATOM 3239 H HA . TYR A 1 6 ? 9.575 8.142 -6.207 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 3 +ATOM 3240 H HB2 . TYR A 1 6 ? 7.779 7.188 -3.955 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 3 +ATOM 3241 H HB3 . TYR A 1 6 ? 8.757 6.139 -4.971 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 3 +ATOM 3242 H HD1 . TYR A 1 6 ? 8.870 8.767 -2.383 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 3 +ATOM 3243 H HD2 . TYR A 1 6 ? 11.079 5.826 -4.508 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 3 +ATOM 3244 H HE1 . TYR A 1 6 ? 10.733 9.061 -0.826 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 3 +ATOM 3245 H HE2 . TYR A 1 6 ? 12.963 6.115 -2.945 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 3 +ATOM 3246 H HH . TYR A 1 6 ? 13.798 7.953 -1.414 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 3 +ATOM 3247 N N . PHE A 1 7 ? 7.622 6.839 -7.338 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 3 +ATOM 3248 C CA . PHE A 1 7 ? 6.543 6.390 -8.176 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 3 +ATOM 3249 C C . PHE A 1 7 ? 5.601 5.570 -7.322 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 3 +ATOM 3250 O O . PHE A 1 7 ? 5.996 5.079 -6.278 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 3 +ATOM 3251 C CB . PHE A 1 7 ? 7.072 5.535 -9.336 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 3 +ATOM 3252 C CG . PHE A 1 7 ? 7.967 6.265 -10.290 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 3 +ATOM 3253 C CD1 . PHE A 1 7 ? 7.438 7.159 -11.203 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 3 +ATOM 3254 C CD2 . PHE A 1 7 ? 9.335 6.056 -10.276 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 3 +ATOM 3255 C CE1 . PHE A 1 7 ? 8.255 7.833 -12.083 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 3 +ATOM 3256 C CE2 . PHE A 1 7 ? 10.158 6.726 -11.155 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 3 +ATOM 3257 C CZ . PHE A 1 7 ? 9.617 7.615 -12.060 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 3 +ATOM 3258 H H . PHE A 1 7 ? 8.472 6.343 -7.336 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 3 +ATOM 3259 H HA . PHE A 1 7 ? 6.028 7.253 -8.564 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 3 +ATOM 3260 H HB2 . PHE A 1 7 ? 7.652 4.726 -8.919 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 3 +ATOM 3261 H HB3 . PHE A 1 7 ? 6.247 5.115 -9.892 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 3 +ATOM 3262 H HD1 . PHE A 1 7 ? 6.372 7.329 -11.220 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 3 +ATOM 3263 H HD2 . PHE A 1 7 ? 9.758 5.359 -9.567 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 3 +ATOM 3264 H HE1 . PHE A 1 7 ? 7.831 8.528 -12.793 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 3 +ATOM 3265 H HE2 . PHE A 1 7 ? 11.224 6.555 -11.134 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 3 +ATOM 3266 H HZ . PHE A 1 7 ? 10.258 8.140 -12.752 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 3 +ATOM 3267 N N . LEU A 1 8 ? 4.382 5.441 -7.729 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 3 +ATOM 3268 C CA . LEU A 1 8 ? 3.428 4.641 -6.991 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 3 +ATOM 3269 C C . LEU A 1 8 ? 2.851 3.635 -7.960 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 3 +ATOM 3270 O O . LEU A 1 8 ? 2.315 4.022 -9.003 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 3 +ATOM 3271 C CB . LEU A 1 8 ? 2.316 5.558 -6.403 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 3 +ATOM 3272 C CG . LEU A 1 8 ? 1.372 4.989 -5.293 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 3 +ATOM 3273 C CD1 . LEU A 1 8 ? 0.517 3.825 -5.761 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 3 +ATOM 3274 C CD2 . LEU A 1 8 ? 2.155 4.604 -4.053 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 3 +ATOM 3275 H H . LEU A 1 8 ? 4.089 5.886 -8.552 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 3 +ATOM 3276 H HA . LEU A 1 8 ? 3.946 4.129 -6.193 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 3 +ATOM 3277 H HB2 . LEU A 1 8 ? 2.807 6.426 -5.992 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 3 +ATOM 3278 H HB3 . LEU A 1 8 ? 1.700 5.887 -7.228 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 3 +ATOM 3279 H HG . LEU A 1 8 ? 0.689 5.777 -5.011 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 3 +ATOM 3280 H HD11 . LEU A 1 8 ? -0.155 4.154 -6.540 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 3 +ATOM 3281 H HD12 . LEU A 1 8 ? -0.041 3.432 -4.924 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 3 +ATOM 3282 H HD13 . LEU A 1 8 ? 1.163 3.049 -6.146 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 3 +ATOM 3283 H HD21 . LEU A 1 8 ? 2.893 3.857 -4.309 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 3 +ATOM 3284 H HD22 . LEU A 1 8 ? 1.479 4.197 -3.316 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 3 +ATOM 3285 H HD23 . LEU A 1 8 ? 2.647 5.474 -3.646 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 3 +ATOM 3286 N N . ASP A 1 9 ? 2.973 2.368 -7.658 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 3 +ATOM 3287 C CA . ASP A 1 9 ? 2.436 1.352 -8.533 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 3 +ATOM 3288 C C . ASP A 1 9 ? 1.814 0.241 -7.695 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 3 +ATOM 3289 O O . ASP A 1 9 ? 1.999 0.213 -6.479 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 3 +ATOM 3290 C CB . ASP A 1 9 ? 3.511 0.824 -9.492 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 3 +ATOM 3291 C CG . ASP A 1 9 ? 2.910 0.263 -10.757 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 3 +ATOM 3292 O OD1 . ASP A 1 9 ? 2.708 1.038 -11.730 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 3 +ATOM 3293 O OD2 . ASP A 1 9 ? 2.595 -0.925 -10.805 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 3 +ATOM 3294 H H . ASP A 1 9 ? 3.422 2.090 -6.824 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 3 +ATOM 3295 H HA . ASP A 1 9 ? 1.641 1.811 -9.100 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 3 +ATOM 3296 H HB2 . ASP A 1 9 ? 4.176 1.632 -9.758 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 3 +ATOM 3297 H HB3 . ASP A 1 9 ? 4.074 0.044 -9.000 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 3 +ATOM 3298 N N . PHE A 1 10 ? 1.092 -0.657 -8.317 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 3 +ATOM 3299 C CA . PHE A 1 10 ? 0.335 -1.675 -7.599 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 3 +ATOM 3300 C C . PHE A 1 10 ? 0.634 -3.044 -8.177 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 3 +ATOM 3301 O O . PHE A 1 10 ? 0.889 -3.164 -9.383 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 3 +ATOM 3302 C CB . PHE A 1 10 ? -1.187 -1.450 -7.778 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 3 +ATOM 3303 C CG . PHE A 1 10 ? -1.757 -0.123 -7.331 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 3 +ATOM 3304 C CD1 . PHE A 1 10 ? -1.661 1.001 -8.138 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 3 +ATOM 3305 C CD2 . PHE A 1 10 ? -2.422 -0.014 -6.124 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 3 +ATOM 3306 C CE1 . PHE A 1 10 ? -2.206 2.205 -7.746 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 3 +ATOM 3307 C CE2 . PHE A 1 10 ? -2.975 1.187 -5.726 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 3 +ATOM 3308 C CZ . PHE A 1 10 ? -2.867 2.296 -6.537 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 3 +ATOM 3309 H H . PHE A 1 10 ? 1.108 -0.693 -9.299 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 3 +ATOM 3310 H HA . PHE A 1 10 ? 0.571 -1.638 -6.548 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 3 +ATOM 3311 H HB2 . PHE A 1 10 ? -1.413 -1.538 -8.830 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 3 +ATOM 3312 H HB3 . PHE A 1 10 ? -1.711 -2.234 -7.253 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 3 +ATOM 3313 H HD1 . PHE A 1 10 ? -1.142 0.930 -9.084 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 3 +ATOM 3314 H HD2 . PHE A 1 10 ? -2.504 -0.881 -5.485 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 3 +ATOM 3315 H HE1 . PHE A 1 10 ? -2.119 3.072 -8.383 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 3 +ATOM 3316 H HE2 . PHE A 1 10 ? -3.492 1.257 -4.780 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 3 +ATOM 3317 H HZ . PHE A 1 10 ? -3.297 3.238 -6.228 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 3 +ATOM 3318 N N . ASP A 1 11 ? 0.604 -4.071 -7.342 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 3 +ATOM 3319 C CA . ASP A 1 11 ? 0.669 -5.450 -7.842 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 3 +ATOM 3320 C C . ASP A 1 11 ? -0.601 -5.708 -8.646 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 3 +ATOM 3321 O O . ASP A 1 11 ? -1.624 -5.042 -8.412 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 3 +ATOM 3322 C CB . ASP A 1 11 ? 0.770 -6.474 -6.684 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 3 +ATOM 3323 C CG . ASP A 1 11 ? 0.871 -7.915 -7.183 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 3 +ATOM 3324 O OD1 . ASP A 1 11 ? 2.003 -8.376 -7.498 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 3 +ATOM 3325 O OD2 . ASP A 1 11 ? -0.167 -8.593 -7.306 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 3 +ATOM 3326 H H . ASP A 1 11 ? 0.560 -3.913 -6.372 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 3 +ATOM 3327 H HA . ASP A 1 11 ? 1.529 -5.532 -8.491 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 3 +ATOM 3328 H HB2 . ASP A 1 11 ? 1.644 -6.258 -6.089 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 3 +ATOM 3329 H HB3 . ASP A 1 11 ? -0.109 -6.388 -6.063 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 3 +ATOM 3330 N N . GLU A 1 12 ? -0.558 -6.628 -9.585 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 3 +ATOM 3331 C CA . GLU A 1 12 ? -1.715 -6.902 -10.412 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 3 +ATOM 3332 C C . GLU A 1 12 ? -2.912 -7.394 -9.565 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 3 +ATOM 3333 O O . GLU A 1 12 ? -4.065 -7.069 -9.861 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 3 +ATOM 3334 C CB . GLU A 1 12 ? -1.347 -7.835 -11.584 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 3 +ATOM 3335 C CG . GLU A 1 12 ? -0.932 -9.256 -11.217 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 3 +ATOM 3336 C CD . GLU A 1 12 ? -2.051 -10.240 -11.442 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 3 +ATOM 3337 O OE1 . GLU A 1 12 ? -2.307 -10.590 -12.617 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 3 +ATOM 3338 O OE2 . GLU A 1 12 ? -2.692 -10.687 -10.479 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 3 +ATOM 3339 H H . GLU A 1 12 ? 0.271 -7.136 -9.720 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 3 +ATOM 3340 H HA . GLU A 1 12 ? -2.008 -5.941 -10.811 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 3 +ATOM 3341 H HB2 . GLU A 1 12 ? -2.200 -7.908 -12.241 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 3 +ATOM 3342 H HB3 . GLU A 1 12 ? -0.535 -7.378 -12.131 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 3 +ATOM 3343 H HG2 . GLU A 1 12 ? -0.086 -9.546 -11.821 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 3 +ATOM 3344 H HG3 . GLU A 1 12 ? -0.657 -9.274 -10.172 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 3 +ATOM 3345 N N . ARG A 1 13 ? -2.627 -8.114 -8.474 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 3 +ATOM 3346 C CA . ARG A 1 13 ? -3.675 -8.540 -7.560 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 3 +ATOM 3347 C C . ARG A 1 13 ? -4.192 -7.381 -6.754 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 3 +ATOM 3348 O O . ARG A 1 13 ? -5.383 -7.322 -6.424 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 3 +ATOM 3349 C CB . ARG A 1 13 ? -3.238 -9.661 -6.645 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 3 +ATOM 3350 C CG . ARG A 1 13 ? -3.105 -10.998 -7.326 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 3 +ATOM 3351 C CD . ARG A 1 13 ? -2.803 -12.074 -6.316 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 3 +ATOM 3352 N NE . ARG A 1 13 ? -3.888 -12.189 -5.326 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 3 +ATOM 3353 C CZ . ARG A 1 13 ? -3.706 -12.428 -4.030 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 3 +ATOM 3354 N NH1 . ARG A 1 13 ? -2.502 -12.720 -3.577 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 3 +ATOM 3355 N NH2 . ARG A 1 13 ? -4.735 -12.398 -3.191 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 3 +ATOM 3356 H H . ARG A 1 13 ? -1.688 -8.348 -8.272 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 3 +ATOM 3357 H HA . ARG A 1 13 ? -4.492 -8.888 -8.169 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 3 +ATOM 3358 H HB2 . ARG A 1 13 ? -2.274 -9.403 -6.231 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 3 +ATOM 3359 H HB3 . ARG A 1 13 ? -3.945 -9.756 -5.835 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 3 +ATOM 3360 H HG2 . ARG A 1 13 ? -4.034 -11.229 -7.826 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 3 +ATOM 3361 H HG3 . ARG A 1 13 ? -2.304 -10.943 -8.047 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 3 +ATOM 3362 H HD2 . ARG A 1 13 ? -2.663 -13.018 -6.822 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 3 +ATOM 3363 H HD3 . ARG A 1 13 ? -1.898 -11.783 -5.805 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 3 +ATOM 3364 H HE . ARG A 1 13 ? -4.789 -12.028 -5.689 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 3 +ATOM 3365 H HH11 . ARG A 1 13 ? -1.698 -12.786 -4.174 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 3 +ATOM 3366 H HH12 . ARG A 1 13 ? -2.329 -12.866 -2.591 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 3 +ATOM 3367 H HH21 . ARG A 1 13 ? -5.672 -12.207 -3.487 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 3 +ATOM 3368 H HH22 . ARG A 1 13 ? -4.593 -12.534 -2.197 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 3 +ATOM 3369 N N . ALA A 1 14 ? -3.302 -6.463 -6.437 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 3 +ATOM 3370 C CA . ALA A 1 14 ? -3.667 -5.266 -5.714 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 3 +ATOM 3371 C C . ALA A 1 14 ? -4.613 -4.407 -6.554 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 3 +ATOM 3372 O O . ALA A 1 14 ? -5.526 -3.813 -6.018 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 3 +ATOM 3373 C CB . ALA A 1 14 ? -2.432 -4.478 -5.288 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 3 +ATOM 3374 H H . ALA A 1 14 ? -2.370 -6.611 -6.707 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 3 +ATOM 3375 H HA . ALA A 1 14 ? -4.200 -5.583 -4.829 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 3 +ATOM 3376 H HB1 . ALA A 1 14 ? -1.887 -4.156 -6.162 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 3 +ATOM 3377 H HB2 . ALA A 1 14 ? -1.795 -5.101 -4.677 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 3 +ATOM 3378 H HB3 . ALA A 1 14 ? -2.733 -3.612 -4.716 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 3 +ATOM 3379 N N . LEU A 1 15 ? -4.414 -4.396 -7.879 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 3 +ATOM 3380 C CA . LEU A 1 15 ? -5.279 -3.648 -8.790 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 3 +ATOM 3381 C C . LEU A 1 15 ? -6.665 -4.238 -8.822 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 3 +ATOM 3382 O O . LEU A 1 15 ? -7.665 -3.512 -8.776 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 3 +ATOM 3383 C CB . LEU A 1 15 ? -4.709 -3.623 -10.204 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 3 +ATOM 3384 C CG . LEU A 1 15 ? -3.537 -2.688 -10.462 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 3 +ATOM 3385 C CD1 . LEU A 1 15 ? -3.027 -2.881 -11.879 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 3 +ATOM 3386 C CD2 . LEU A 1 15 ? -3.966 -1.233 -10.255 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 3 +ATOM 3387 H H . LEU A 1 15 ? -3.667 -4.906 -8.260 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 3 +ATOM 3388 H HA . LEU A 1 15 ? -5.345 -2.635 -8.425 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 3 +ATOM 3389 H HB2 . LEU A 1 15 ? -4.392 -4.626 -10.448 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 3 +ATOM 3390 H HB3 . LEU A 1 15 ? -5.512 -3.354 -10.870 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 3 +ATOM 3391 H HG . LEU A 1 15 ? -2.738 -2.911 -9.771 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 3 +ATOM 3392 H HD11 . LEU A 1 15 ? -2.681 -3.896 -12.003 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 3 +ATOM 3393 H HD12 . LEU A 1 15 ? -2.217 -2.193 -12.071 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 3 +ATOM 3394 H HD13 . LEU A 1 15 ? -3.830 -2.690 -12.576 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 3 +ATOM 3395 H HD21 . LEU A 1 15 ? -3.130 -0.580 -10.457 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 3 +ATOM 3396 H HD22 . LEU A 1 15 ? -4.294 -1.081 -9.237 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 3 +ATOM 3397 H HD23 . LEU A 1 15 ? -4.776 -0.992 -10.926 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 3 +ATOM 3398 N N . LYS A 1 16 ? -6.718 -5.554 -8.882 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 3 +ATOM 3399 C CA . LYS A 1 16 ? -7.974 -6.277 -8.903 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 3 +ATOM 3400 C C . LYS A 1 16 ? -8.781 -5.969 -7.649 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 3 +ATOM 3401 O O . LYS A 1 16 ? -9.978 -5.684 -7.732 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 3 +ATOM 3402 C CB . LYS A 1 16 ? -7.699 -7.771 -8.994 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 3 +ATOM 3403 C CG . LYS A 1 16 ? -7.041 -8.211 -10.290 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 3 +ATOM 3404 C CD . LYS A 1 16 ? -6.492 -9.612 -10.148 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 3 +ATOM 3405 C CE . LYS A 1 16 ? -5.889 -10.130 -11.435 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 3 +ATOM 3406 N NZ . LYS A 1 16 ? -5.170 -11.407 -11.223 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 3 +ATOM 3407 H H . LYS A 1 16 ? -5.872 -6.048 -8.930 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 3 +ATOM 3408 H HA . LYS A 1 16 ? -8.532 -5.970 -9.775 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 3 +ATOM 3409 H HB2 . LYS A 1 16 ? -7.053 -8.055 -8.176 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 3 +ATOM 3410 H HB3 . LYS A 1 16 ? -8.637 -8.297 -8.899 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 3 +ATOM 3411 H HG2 . LYS A 1 16 ? -7.771 -8.190 -11.085 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 3 +ATOM 3412 H HG3 . LYS A 1 16 ? -6.230 -7.534 -10.518 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 3 +ATOM 3413 H HD2 . LYS A 1 16 ? -5.719 -9.591 -9.396 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 3 +ATOM 3414 H HD3 . LYS A 1 16 ? -7.291 -10.268 -9.835 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 3 +ATOM 3415 H HE2 . LYS A 1 16 ? -6.678 -10.282 -12.156 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 3 +ATOM 3416 H HE3 . LYS A 1 16 ? -5.195 -9.392 -11.806 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 3 +ATOM 3417 H HZ1 . LYS A 1 16 ? -5.724 -12.090 -10.666 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 3 +ATOM 3418 H HZ2 . LYS A 1 16 ? -4.251 -11.236 -10.752 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 3 +ATOM 3419 H HZ3 . LYS A 1 16 ? -4.936 -11.851 -12.132 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 3 +ATOM 3420 N N . GLU A 1 17 ? -8.108 -5.979 -6.498 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 3 +ATOM 3421 C CA . GLU A 1 17 ? -8.731 -5.641 -5.242 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 3 +ATOM 3422 C C . GLU A 1 17 ? -9.083 -4.165 -5.150 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 3 +ATOM 3423 O O . GLU A 1 17 ? -10.113 -3.818 -4.636 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 3 +ATOM 3424 C CB . GLU A 1 17 ? -7.867 -6.078 -4.086 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 3 +ATOM 3425 C CG . GLU A 1 17 ? -7.751 -7.578 -4.005 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 3 +ATOM 3426 C CD . GLU A 1 17 ? -9.090 -8.242 -3.737 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 3 +ATOM 3427 O OE1 . GLU A 1 17 ? -9.470 -8.416 -2.552 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 3 +ATOM 3428 O OE2 . GLU A 1 17 ? -9.783 -8.605 -4.693 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 3 +ATOM 3429 H H . GLU A 1 17 ? -7.164 -6.254 -6.471 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 3 +ATOM 3430 H HA . GLU A 1 17 ? -9.644 -6.214 -5.207 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 3 +ATOM 3431 H HB2 . GLU A 1 17 ? -6.880 -5.658 -4.205 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 3 +ATOM 3432 H HB3 . GLU A 1 17 ? -8.303 -5.721 -3.165 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 3 +ATOM 3433 H HG2 . GLU A 1 17 ? -7.387 -7.917 -4.964 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 3 +ATOM 3434 H HG3 . GLU A 1 17 ? -7.035 -7.845 -3.248 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 3 +ATOM 3435 N N . TRP A 1 18 ? -8.236 -3.321 -5.679 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 3 +ATOM 3436 C CA . TRP A 1 18 ? -8.445 -1.870 -5.692 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 3 +ATOM 3437 C C . TRP A 1 18 ? -9.735 -1.527 -6.461 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 3 +ATOM 3438 O O . TRP A 1 18 ? -10.546 -0.690 -6.033 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 3 +ATOM 3439 C CB . TRP A 1 18 ? -7.212 -1.213 -6.338 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 3 +ATOM 3440 C CG . TRP A 1 18 ? -7.252 0.270 -6.474 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 3 +ATOM 3441 C CD1 . TRP A 1 18 ? -7.579 0.969 -7.590 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 3 +ATOM 3442 C CD2 . TRP A 1 18 ? -6.922 1.236 -5.476 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 3 +ATOM 3443 N NE1 . TRP A 1 18 ? -7.499 2.313 -7.347 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 3 +ATOM 3444 C CE2 . TRP A 1 18 ? -7.091 2.506 -6.057 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 3 +ATOM 3445 C CE3 . TRP A 1 18 ? -6.508 1.152 -4.148 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 3 +ATOM 3446 C CZ2 . TRP A 1 18 ? -6.857 3.679 -5.356 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 3 +ATOM 3447 C CZ3 . TRP A 1 18 ? -6.275 2.318 -3.456 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 3 +ATOM 3448 C CH2 . TRP A 1 18 ? -6.449 3.564 -4.058 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 3 +ATOM 3449 H H . TRP A 1 18 ? -7.404 -3.669 -6.071 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 3 +ATOM 3450 H HA . TRP A 1 18 ? -8.539 -1.529 -4.669 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 3 +ATOM 3451 H HB2 . TRP A 1 18 ? -6.342 -1.456 -5.745 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 3 +ATOM 3452 H HB3 . TRP A 1 18 ? -7.079 -1.636 -7.322 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 3 +ATOM 3453 H HD1 . TRP A 1 18 ? -7.869 0.506 -8.521 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 3 +ATOM 3454 H HE1 . TRP A 1 18 ? -7.699 3.015 -8.002 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 3 +ATOM 3455 H HE3 . TRP A 1 18 ? -6.367 0.196 -3.666 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 3 +ATOM 3456 H HZ2 . TRP A 1 18 ? -6.988 4.650 -5.811 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 3 +ATOM 3457 H HZ3 . TRP A 1 18 ? -5.952 2.278 -2.426 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 3 +ATOM 3458 H HH2 . TRP A 1 18 ? -6.252 4.451 -3.473 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 3 +ATOM 3459 N N . ARG A 1 19 ? -9.930 -2.193 -7.575 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 3 +ATOM 3460 C CA . ARG A 1 19 ? -11.129 -2.022 -8.380 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 3 +ATOM 3461 C C . ARG A 1 19 ? -12.335 -2.714 -7.729 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 3 +ATOM 3462 O O . ARG A 1 19 ? -13.479 -2.338 -7.956 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 3 +ATOM 3463 C CB . ARG A 1 19 ? -10.884 -2.526 -9.793 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 3 +ATOM 3464 C CG . ARG A 1 19 ? -9.849 -1.702 -10.536 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 3 +ATOM 3465 C CD . ARG A 1 19 ? -9.541 -2.269 -11.904 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 3 +ATOM 3466 N NE . ARG A 1 19 ? -8.609 -1.405 -12.643 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 3 +ATOM 3467 C CZ . ARG A 1 19 ? -8.074 -1.686 -13.832 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 3 +ATOM 3468 N NH1 . ARG A 1 19 ? -8.211 -2.894 -14.355 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 3 +ATOM 3469 N NH2 . ARG A 1 19 ? -7.347 -0.774 -14.469 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 3 +ATOM 3470 H H . ARG A 1 19 ? -9.225 -2.809 -7.877 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 3 +ATOM 3471 H HA . ARG A 1 19 ? -11.332 -0.962 -8.417 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 3 +ATOM 3472 H HB2 . ARG A 1 19 ? -10.543 -3.550 -9.747 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 3 +ATOM 3473 H HB3 . ARG A 1 19 ? -11.814 -2.484 -10.341 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 3 +ATOM 3474 H HG2 . ARG A 1 19 ? -10.223 -0.695 -10.656 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 3 +ATOM 3475 H HG3 . ARG A 1 19 ? -8.942 -1.677 -9.953 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 3 +ATOM 3476 H HD2 . ARG A 1 19 ? -9.093 -3.244 -11.781 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 3 +ATOM 3477 H HD3 . ARG A 1 19 ? -10.458 -2.359 -12.467 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 3 +ATOM 3478 H HE . ARG A 1 19 ? -8.425 -0.542 -12.201 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 3 +ATOM 3479 H HH11 . ARG A 1 19 ? -8.700 -3.630 -13.882 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 3 +ATOM 3480 H HH12 . ARG A 1 19 ? -7.828 -3.128 -15.252 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 3 +ATOM 3481 H HH21 . ARG A 1 19 ? -7.177 0.137 -14.083 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 3 +ATOM 3482 H HH22 . ARG A 1 19 ? -6.946 -0.976 -15.368 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 3 +ATOM 3483 N N . LYS A 1 20 ? -12.050 -3.698 -6.913 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 3 +ATOM 3484 C CA . LYS A 1 20 ? -13.043 -4.451 -6.150 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 3 +ATOM 3485 C C . LYS A 1 20 ? -13.512 -3.660 -4.914 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 3 +ATOM 3486 O O . LYS A 1 20 ? -14.655 -3.816 -4.455 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 3 +ATOM 3487 C CB . LYS A 1 20 ? -12.436 -5.854 -5.828 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 3 +ATOM 3488 C CG . LYS A 1 20 ? -12.958 -6.647 -4.625 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 3 +ATOM 3489 C CD . LYS A 1 20 ? -12.346 -6.156 -3.312 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 3 +ATOM 3490 C CE . LYS A 1 20 ? -12.753 -7.015 -2.133 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 3 +ATOM 3491 N NZ . LYS A 1 20 ? -12.271 -8.413 -2.263 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 3 +ATOM 3492 H H . LYS A 1 20 ? -11.105 -3.945 -6.818 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 3 +ATOM 3493 H HA . LYS A 1 20 ? -13.900 -4.586 -6.795 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 3 +ATOM 3494 H HB2 . LYS A 1 20 ? -12.570 -6.480 -6.695 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 3 +ATOM 3495 H HB3 . LYS A 1 20 ? -11.376 -5.703 -5.701 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 3 +ATOM 3496 H HG2 . LYS A 1 20 ? -14.030 -6.543 -4.573 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 3 +ATOM 3497 H HG3 . LYS A 1 20 ? -12.702 -7.686 -4.763 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 3 +ATOM 3498 H HD2 . LYS A 1 20 ? -11.270 -6.180 -3.397 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 3 +ATOM 3499 H HD3 . LYS A 1 20 ? -12.672 -5.140 -3.140 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 3 +ATOM 3500 H HE2 . LYS A 1 20 ? -12.343 -6.584 -1.232 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 3 +ATOM 3501 H HE3 . LYS A 1 20 ? -13.831 -7.017 -2.071 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 3 +ATOM 3502 H HZ1 . LYS A 1 20 ? -12.711 -8.876 -3.083 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 3 +ATOM 3503 H HZ2 . LYS A 1 20 ? -12.564 -8.957 -1.424 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 3 +ATOM 3504 H HZ3 . LYS A 1 20 ? -11.232 -8.452 -2.362 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 3 +ATOM 3505 N N . LEU A 1 21 ? -12.626 -2.830 -4.389 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 3 +ATOM 3506 C CA . LEU A 1 21 ? -12.909 -1.953 -3.258 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 3 +ATOM 3507 C C . LEU A 1 21 ? -13.977 -0.937 -3.603 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 3 +ATOM 3508 O O . LEU A 1 21 ? -14.245 -0.662 -4.786 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 3 +ATOM 3509 C CB . LEU A 1 21 ? -11.641 -1.206 -2.812 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 3 +ATOM 3510 C CG . LEU A 1 21 ? -10.944 -1.677 -1.525 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 3 +ATOM 3511 C CD1 . LEU A 1 21 ? -10.514 -3.128 -1.600 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 3 +ATOM 3512 C CD2 . LEU A 1 21 ? -9.760 -0.785 -1.239 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 3 +ATOM 3513 H H . LEU A 1 21 ? -11.720 -2.824 -4.770 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 3 +ATOM 3514 H HA . LEU A 1 21 ? -13.252 -2.561 -2.435 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 3 +ATOM 3515 H HB2 . LEU A 1 21 ? -10.926 -1.268 -3.617 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 3 +ATOM 3516 H HB3 . LEU A 1 21 ? -11.904 -0.166 -2.689 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 3 +ATOM 3517 H HG . LEU A 1 21 ? -11.621 -1.587 -0.691 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 3 +ATOM 3518 H HD11 . LEU A 1 21 ? -9.828 -3.257 -2.424 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 3 +ATOM 3519 H HD12 . LEU A 1 21 ? -11.386 -3.747 -1.750 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 3 +ATOM 3520 H HD13 . LEU A 1 21 ? -10.027 -3.404 -0.677 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 3 +ATOM 3521 H HD21 . LEU A 1 21 ? -9.268 -1.111 -0.335 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 3 +ATOM 3522 H HD22 . LEU A 1 21 ? -10.110 0.230 -1.116 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 3 +ATOM 3523 H HD23 . LEU A 1 21 ? -9.068 -0.827 -2.067 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 3 +ATOM 3524 N N . GLY A 1 22 ? -14.563 -0.379 -2.588 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 3 +ATOM 3525 C CA . GLY A 1 22 ? -15.569 0.609 -2.769 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 3 +ATOM 3526 C C . GLY A 1 22 ? -14.952 1.905 -3.185 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 3 +ATOM 3527 O O . GLY A 1 22 ? -13.842 2.237 -2.731 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 3 +ATOM 3528 H H . GLY A 1 22 ? -14.286 -0.627 -1.681 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 3 +ATOM 3529 H HA2 . GLY A 1 22 ? -16.260 0.279 -3.529 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 3 +ATOM 3530 H HA3 . GLY A 1 22 ? -16.093 0.755 -1.836 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 3 +ATOM 3531 N N . SER A 1 23 ? -15.655 2.635 -4.022 1.00 0.00 ? ? ? ? ? ? 20 SER A N 3 +ATOM 3532 C CA . SER A 1 23 ? -15.200 3.894 -4.587 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 3 +ATOM 3533 C C . SER A 1 23 ? -14.728 4.855 -3.494 1.00 0.00 ? ? ? ? ? ? 20 SER A C 3 +ATOM 3534 O O . SER A 1 23 ? -13.643 5.405 -3.567 1.00 0.00 ? ? ? ? ? ? 20 SER A O 3 +ATOM 3535 C CB . SER A 1 23 ? -16.360 4.506 -5.346 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 3 +ATOM 3536 O OG . SER A 1 23 ? -16.920 3.560 -6.252 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 3 +ATOM 3537 H H . SER A 1 23 ? -16.548 2.326 -4.291 1.00 0.00 ? ? ? ? ? ? 20 SER A H 3 +ATOM 3538 H HA . SER A 1 23 ? -14.399 3.698 -5.284 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 3 +ATOM 3539 H HB2 . SER A 1 23 ? -17.123 4.808 -4.642 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 3 +ATOM 3540 H HB3 . SER A 1 23 ? -16.025 5.369 -5.901 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 3 +ATOM 3541 H HG . SER A 1 23 ? -17.492 4.082 -6.830 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 3 +ATOM 3542 N N . THR A 1 24 ? -15.529 4.964 -2.466 1.00 0.00 ? ? ? ? ? ? 21 THR A N 3 +ATOM 3543 C CA . THR A 1 24 ? -15.292 5.842 -1.349 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 3 +ATOM 3544 C C . THR A 1 24 ? -13.997 5.440 -0.624 1.00 0.00 ? ? ? ? ? ? 21 THR A C 3 +ATOM 3545 O O . THR A 1 24 ? -13.126 6.269 -0.376 1.00 0.00 ? ? ? ? ? ? 21 THR A O 3 +ATOM 3546 C CB . THR A 1 24 ? -16.471 5.702 -0.376 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 3 +ATOM 3547 O OG1 . THR A 1 24 ? -17.697 5.680 -1.133 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 3 +ATOM 3548 C CG2 . THR A 1 24 ? -16.516 6.851 0.618 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 3 +ATOM 3549 H H . THR A 1 24 ? -16.338 4.416 -2.453 1.00 0.00 ? ? ? ? ? ? 21 THR A H 3 +ATOM 3550 H HA . THR A 1 24 ? -15.243 6.865 -1.687 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 3 +ATOM 3551 H HB . THR A 1 24 ? -16.353 4.768 0.152 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 3 +ATOM 3552 H HG1 . THR A 1 24 ? -17.991 6.591 -1.259 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 3 +ATOM 3553 H HG21 . THR A 1 24 ? -17.348 6.710 1.291 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 3 +ATOM 3554 H HG22 . THR A 1 24 ? -16.643 7.780 0.083 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 3 +ATOM 3555 H HG23 . THR A 1 24 ? -15.595 6.878 1.181 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 3 +ATOM 3556 N N . VAL A 1 25 ? -13.860 4.146 -0.378 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 3 +ATOM 3557 C CA . VAL A 1 25 ? -12.745 3.612 0.379 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 3 +ATOM 3558 C C . VAL A 1 25 ? -11.443 3.812 -0.371 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 3 +ATOM 3559 O O . VAL A 1 25 ? -10.464 4.322 0.187 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 3 +ATOM 3560 C CB . VAL A 1 25 ? -12.961 2.105 0.699 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 3 +ATOM 3561 C CG1 . VAL A 1 25 ? -11.753 1.507 1.403 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 3 +ATOM 3562 C CG2 . VAL A 1 25 ? -14.205 1.927 1.557 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 3 +ATOM 3563 H H . VAL A 1 25 ? -14.514 3.524 -0.756 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 3 +ATOM 3564 H HA . VAL A 1 25 ? -12.692 4.155 1.311 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 3 +ATOM 3565 H HB . VAL A 1 25 ? -13.115 1.577 -0.231 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 3 +ATOM 3566 H HG11 . VAL A 1 25 ? -11.585 2.029 2.333 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 3 +ATOM 3567 H HG12 . VAL A 1 25 ? -10.883 1.608 0.772 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 3 +ATOM 3568 H HG13 . VAL A 1 25 ? -11.931 0.461 1.605 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 3 +ATOM 3569 H HG21 . VAL A 1 25 ? -15.071 2.274 1.013 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 3 +ATOM 3570 H HG22 . VAL A 1 25 ? -14.095 2.503 2.463 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 3 +ATOM 3571 H HG23 . VAL A 1 25 ? -14.328 0.885 1.813 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 3 +ATOM 3572 N N . ARG A 1 26 ? -11.447 3.475 -1.644 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 3 +ATOM 3573 C CA . ARG A 1 26 ? -10.261 3.633 -2.448 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 3 +ATOM 3574 C C . ARG A 1 26 ? -9.896 5.096 -2.647 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 3 +ATOM 3575 O O . ARG A 1 26 ? -8.717 5.428 -2.704 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 3 +ATOM 3576 C CB . ARG A 1 26 ? -10.323 2.889 -3.767 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 3 +ATOM 3577 C CG . ARG A 1 26 ? -11.501 3.224 -4.633 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 3 +ATOM 3578 C CD . ARG A 1 26 ? -11.263 2.722 -6.026 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 3 +ATOM 3579 N NE . ARG A 1 26 ? -12.378 3.029 -6.917 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 3 +ATOM 3580 C CZ . ARG A 1 26 ? -13.075 2.115 -7.612 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 3 +ATOM 3581 N NH1 . ARG A 1 26 ? -12.842 0.803 -7.444 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 3 +ATOM 3582 N NH2 . ARG A 1 26 ? -14.013 2.516 -8.456 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 3 +ATOM 3583 H H . ARG A 1 26 ? -12.274 3.113 -2.033 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 3 +ATOM 3584 H HA . ARG A 1 26 ? -9.465 3.207 -1.854 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 3 +ATOM 3585 H HB2 . ARG A 1 26 ? -9.426 3.108 -4.327 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 3 +ATOM 3586 H HB3 . ARG A 1 26 ? -10.348 1.829 -3.559 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 3 +ATOM 3587 H HG2 . ARG A 1 26 ? -12.348 2.692 -4.222 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 3 +ATOM 3588 H HG3 . ARG A 1 26 ? -11.732 4.279 -4.629 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 3 +ATOM 3589 H HD2 . ARG A 1 26 ? -10.371 3.217 -6.382 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 3 +ATOM 3590 H HD3 . ARG A 1 26 ? -11.098 1.656 -5.994 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 3 +ATOM 3591 H HE . ARG A 1 26 ? -12.569 3.989 -7.008 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 3 +ATOM 3592 H HH11 . ARG A 1 26 ? -12.155 0.440 -6.807 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 3 +ATOM 3593 H HH12 . ARG A 1 26 ? -13.359 0.121 -7.974 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 3 +ATOM 3594 H HH21 . ARG A 1 26 ? -14.236 3.482 -8.613 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 3 +ATOM 3595 H HH22 . ARG A 1 26 ? -14.548 1.865 -8.999 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 3 +ATOM 3596 N N . GLU A 1 27 ? -10.900 5.973 -2.757 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 3 +ATOM 3597 C CA . GLU A 1 27 ? -10.629 7.391 -2.885 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 3 +ATOM 3598 C C . GLU A 1 27 ? -9.860 7.932 -1.700 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 3 +ATOM 3599 O O . GLU A 1 27 ? -8.947 8.727 -1.874 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 3 +ATOM 3600 C CB . GLU A 1 27 ? -11.874 8.221 -3.178 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 3 +ATOM 3601 C CG . GLU A 1 27 ? -12.331 8.116 -4.623 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 3 +ATOM 3602 C CD . GLU A 1 27 ? -13.490 9.022 -4.942 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 3 +ATOM 3603 O OE1 . GLU A 1 27 ? -13.266 10.237 -5.183 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 3 +ATOM 3604 O OE2 . GLU A 1 27 ? -14.646 8.545 -4.955 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 3 +ATOM 3605 H H . GLU A 1 27 ? -11.834 5.664 -2.761 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 3 +ATOM 3606 H HA . GLU A 1 27 ? -9.968 7.460 -3.737 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 3 +ATOM 3607 H HB2 . GLU A 1 27 ? -12.672 7.855 -2.545 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 3 +ATOM 3608 H HB3 . GLU A 1 27 ? -11.679 9.259 -2.952 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 3 +ATOM 3609 H HG2 . GLU A 1 27 ? -11.505 8.379 -5.267 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 3 +ATOM 3610 H HG3 . GLU A 1 27 ? -12.623 7.094 -4.814 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 3 +ATOM 3611 N N . GLN A 1 28 ? -10.181 7.476 -0.500 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 3 +ATOM 3612 C CA . GLN A 1 28 ? -9.422 7.912 0.655 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 3 +ATOM 3613 C C . GLN A 1 28 ? -8.015 7.344 0.622 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 3 +ATOM 3614 O O . GLN A 1 28 ? -7.046 8.039 0.926 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 3 +ATOM 3615 C CB . GLN A 1 28 ? -10.102 7.590 1.984 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 3 +ATOM 3616 C CG . GLN A 1 28 ? -11.125 8.618 2.461 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 3 +ATOM 3617 C CD . GLN A 1 28 ? -12.345 8.753 1.583 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 3 +ATOM 3618 O OE1 . GLN A 1 28 ? -12.375 9.535 0.631 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 3 +ATOM 3619 N NE2 . GLN A 1 28 ? -13.378 8.036 1.916 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 3 +ATOM 3620 H H . GLN A 1 28 ? -10.920 6.836 -0.395 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 3 +ATOM 3621 H HA . GLN A 1 28 ? -9.334 8.983 0.558 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 3 +ATOM 3622 H HB2 . GLN A 1 28 ? -10.607 6.640 1.886 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 3 +ATOM 3623 H HB3 . GLN A 1 28 ? -9.331 7.506 2.737 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 3 +ATOM 3624 H HG2 . GLN A 1 28 ? -11.458 8.322 3.444 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 3 +ATOM 3625 H HG3 . GLN A 1 28 ? -10.631 9.573 2.535 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 3 +ATOM 3626 H HE21 . GLN A 1 28 ? -13.318 7.453 2.704 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 3 +ATOM 3627 H HE22 . GLN A 1 28 ? -14.185 8.097 1.364 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 3 +ATOM 3628 N N . LEU A 1 29 ? -7.906 6.104 0.203 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 3 +ATOM 3629 C CA . LEU A 1 29 ? -6.625 5.436 0.115 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 3 +ATOM 3630 C C . LEU A 1 29 ? -5.698 6.121 -0.892 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 3 +ATOM 3631 O O . LEU A 1 29 ? -4.523 6.338 -0.601 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 3 +ATOM 3632 C CB . LEU A 1 29 ? -6.800 3.959 -0.237 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 3 +ATOM 3633 C CG . LEU A 1 29 ? -7.565 3.086 0.781 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 3 +ATOM 3634 C CD1 . LEU A 1 29 ? -7.600 1.647 0.322 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 3 +ATOM 3635 C CD2 . LEU A 1 29 ? -6.951 3.188 2.174 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 3 +ATOM 3636 H H . LEU A 1 29 ? -8.719 5.615 -0.047 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 3 +ATOM 3637 H HA . LEU A 1 29 ? -6.161 5.505 1.088 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 3 +ATOM 3638 H HB2 . LEU A 1 29 ? -7.334 3.917 -1.175 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 3 +ATOM 3639 H HB3 . LEU A 1 29 ? -5.819 3.539 -0.393 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 3 +ATOM 3640 H HG . LEU A 1 29 ? -8.595 3.410 0.835 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 3 +ATOM 3641 H HD11 . LEU A 1 29 ? -8.089 1.586 -0.639 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 3 +ATOM 3642 H HD12 . LEU A 1 29 ? -8.144 1.054 1.041 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 3 +ATOM 3643 H HD13 . LEU A 1 29 ? -6.591 1.271 0.234 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 3 +ATOM 3644 H HD21 . LEU A 1 29 ? -7.014 4.206 2.528 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 3 +ATOM 3645 H HD22 . LEU A 1 29 ? -5.915 2.884 2.131 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 3 +ATOM 3646 H HD23 . LEU A 1 29 ? -7.486 2.539 2.851 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 3 +ATOM 3647 N N . LYS A 1 30 ? -6.232 6.487 -2.055 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 3 +ATOM 3648 C CA . LYS A 1 30 ? -5.426 7.144 -3.090 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 3 +ATOM 3649 C C . LYS A 1 30 ? -4.915 8.504 -2.631 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 3 +ATOM 3650 O O . LYS A 1 30 ? -3.816 8.932 -3.025 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 3 +ATOM 3651 C CB . LYS A 1 30 ? -6.188 7.300 -4.387 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 3 +ATOM 3652 C CG . LYS A 1 30 ? -7.246 8.386 -4.389 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 3 +ATOM 3653 C CD . LYS A 1 30 ? -7.728 8.709 -5.785 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 3 +ATOM 3654 C CE . LYS A 1 30 ? -6.605 9.325 -6.607 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 3 +ATOM 3655 N NZ . LYS A 1 30 ? -7.055 9.712 -7.954 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 3 +ATOM 3656 H H . LYS A 1 30 ? -7.173 6.251 -2.230 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 3 +ATOM 3657 H HA . LYS A 1 30 ? -4.568 6.513 -3.265 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 3 +ATOM 3658 H HB2 . LYS A 1 30 ? -5.518 7.410 -5.223 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 3 +ATOM 3659 H HB3 . LYS A 1 30 ? -6.718 6.366 -4.453 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 3 +ATOM 3660 H HG2 . LYS A 1 30 ? -8.071 8.062 -3.775 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 3 +ATOM 3661 H HG3 . LYS A 1 30 ? -6.804 9.267 -3.947 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 3 +ATOM 3662 H HD2 . LYS A 1 30 ? -8.061 7.800 -6.263 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 3 +ATOM 3663 H HD3 . LYS A 1 30 ? -8.547 9.412 -5.722 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 3 +ATOM 3664 H HE2 . LYS A 1 30 ? -6.227 10.182 -6.069 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 3 +ATOM 3665 H HE3 . LYS A 1 30 ? -5.800 8.613 -6.690 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 3 +ATOM 3666 H HZ1 . LYS A 1 30 ? -7.420 8.883 -8.465 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 3 +ATOM 3667 H HZ2 . LYS A 1 30 ? -6.269 10.102 -8.509 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 3 +ATOM 3668 H HZ3 . LYS A 1 30 ? -7.815 10.422 -7.920 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 3 +ATOM 3669 N N . LYS A 1 31 ? -5.728 9.185 -1.829 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 3 +ATOM 3670 C CA . LYS A 1 31 ? -5.336 10.477 -1.225 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 3 +ATOM 3671 C C . LYS A 1 31 ? -4.097 10.272 -0.401 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 3 +ATOM 3672 O O . LYS A 1 31 ? -3.144 11.037 -0.477 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 3 +ATOM 3673 C CB . LYS A 1 31 ? -6.421 11.024 -0.304 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 3 +ATOM 3674 C CG . LYS A 1 31 ? -7.732 11.305 -0.964 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 3 +ATOM 3675 C CD . LYS A 1 31 ? -8.790 11.630 0.074 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 3 +ATOM 3676 C CE . LYS A 1 31 ? -10.178 11.672 -0.534 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 3 +ATOM 3677 N NZ . LYS A 1 31 ? -10.334 12.760 -1.511 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 3 +ATOM 3678 H H . LYS A 1 31 ? -6.617 8.780 -1.702 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 3 +ATOM 3679 H HA . LYS A 1 31 ? -5.137 11.185 -2.017 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 3 +ATOM 3680 H HB2 . LYS A 1 31 ? -6.601 10.306 0.484 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 3 +ATOM 3681 H HB3 . LYS A 1 31 ? -6.059 11.938 0.139 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 3 +ATOM 3682 H HG2 . LYS A 1 31 ? -7.598 12.145 -1.630 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 3 +ATOM 3683 H HG3 . LYS A 1 31 ? -8.029 10.433 -1.529 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 3 +ATOM 3684 H HD2 . LYS A 1 31 ? -8.764 10.887 0.857 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 3 +ATOM 3685 H HD3 . LYS A 1 31 ? -8.563 12.595 0.502 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 3 +ATOM 3686 H HE2 . LYS A 1 31 ? -10.343 10.730 -1.035 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 3 +ATOM 3687 H HE3 . LYS A 1 31 ? -10.899 11.788 0.261 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 3 +ATOM 3688 H HZ1 . LYS A 1 31 ? -9.629 12.663 -2.267 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 3 +ATOM 3689 H HZ2 . LYS A 1 31 ? -10.217 13.687 -1.056 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 3 +ATOM 3690 H HZ3 . LYS A 1 31 ? -11.277 12.726 -1.947 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 3 +ATOM 3691 N N . LYS A 1 32 ? -4.107 9.193 0.355 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 3 +ATOM 3692 C CA . LYS A 1 32 ? -2.992 8.858 1.212 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 3 +ATOM 3693 C C . LYS A 1 32 ? -1.768 8.511 0.422 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 3 +ATOM 3694 O O . LYS A 1 32 ? -0.666 8.838 0.826 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 3 +ATOM 3695 C CB . LYS A 1 32 ? -3.316 7.780 2.242 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 3 +ATOM 3696 C CG . LYS A 1 32 ? -3.939 8.295 3.540 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 3 +ATOM 3697 C CD . LYS A 1 32 ? -5.300 8.923 3.346 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 3 +ATOM 3698 C CE . LYS A 1 32 ? -5.838 9.452 4.657 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 3 +ATOM 3699 N NZ . LYS A 1 32 ? -4.994 10.540 5.192 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 3 +ATOM 3700 H H . LYS A 1 32 ? -4.895 8.610 0.284 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 3 +ATOM 3701 H HA . LYS A 1 32 ? -2.749 9.765 1.743 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 3 +ATOM 3702 H HB2 . LYS A 1 32 ? -4.004 7.075 1.800 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 3 +ATOM 3703 H HB3 . LYS A 1 32 ? -2.400 7.264 2.491 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 3 +ATOM 3704 H HG2 . LYS A 1 32 ? -4.044 7.475 4.234 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 3 +ATOM 3705 H HG3 . LYS A 1 32 ? -3.274 9.032 3.964 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 3 +ATOM 3706 H HD2 . LYS A 1 32 ? -5.216 9.737 2.640 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 3 +ATOM 3707 H HD3 . LYS A 1 32 ? -5.981 8.180 2.958 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 3 +ATOM 3708 H HE2 . LYS A 1 32 ? -6.847 9.806 4.514 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 3 +ATOM 3709 H HE3 . LYS A 1 32 ? -5.844 8.635 5.362 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 3 +ATOM 3710 H HZ1 . LYS A 1 32 ? -4.034 10.197 5.394 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 3 +ATOM 3711 H HZ2 . LYS A 1 32 ? -5.385 10.921 6.077 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 3 +ATOM 3712 H HZ3 . LYS A 1 32 ? -4.908 11.311 4.499 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 3 +ATOM 3713 N N . LEU A 1 33 ? -1.969 7.883 -0.718 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 3 +ATOM 3714 C CA . LEU A 1 33 ? -0.877 7.517 -1.596 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 3 +ATOM 3715 C C . LEU A 1 33 ? -0.141 8.759 -2.077 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 3 +ATOM 3716 O O . LEU A 1 33 ? 1.077 8.840 -1.974 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 3 +ATOM 3717 C CB . LEU A 1 33 ? -1.395 6.742 -2.815 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 3 +ATOM 3718 C CG . LEU A 1 33 ? -2.177 5.460 -2.533 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 3 +ATOM 3719 C CD1 . LEU A 1 33 ? -2.624 4.811 -3.827 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 3 +ATOM 3720 C CD2 . LEU A 1 33 ? -1.345 4.496 -1.718 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 3 +ATOM 3721 H H . LEU A 1 33 ? -2.891 7.647 -0.962 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 3 +ATOM 3722 H HA . LEU A 1 33 ? -0.193 6.885 -1.048 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 3 +ATOM 3723 H HB2 . LEU A 1 33 ? -2.041 7.403 -3.374 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 3 +ATOM 3724 H HB3 . LEU A 1 33 ? -0.547 6.490 -3.434 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 3 +ATOM 3725 H HG . LEU A 1 33 ? -3.063 5.710 -1.967 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 3 +ATOM 3726 H HD11 . LEU A 1 33 ? -1.759 4.554 -4.419 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 3 +ATOM 3727 H HD12 . LEU A 1 33 ? -3.240 5.499 -4.386 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 3 +ATOM 3728 H HD13 . LEU A 1 33 ? -3.185 3.915 -3.608 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 3 +ATOM 3729 H HD21 . LEU A 1 33 ? -1.904 3.587 -1.549 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 3 +ATOM 3730 H HD22 . LEU A 1 33 ? -1.122 4.962 -0.769 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 3 +ATOM 3731 H HD23 . LEU A 1 33 ? -0.425 4.275 -2.237 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 3 +ATOM 3732 N N . VAL A 1 34 ? -0.892 9.749 -2.537 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 3 +ATOM 3733 C CA . VAL A 1 34 ? -0.291 10.946 -3.092 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 3 +ATOM 3734 C C . VAL A 1 34 ? 0.411 11.798 -2.011 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 3 +ATOM 3735 O O . VAL A 1 34 ? 1.517 12.318 -2.238 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 3 +ATOM 3736 C CB . VAL A 1 34 ? -1.290 11.788 -3.967 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 3 +ATOM 3737 C CG1 . VAL A 1 34 ? -2.422 12.409 -3.165 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 3 +ATOM 3738 C CG2 . VAL A 1 34 ? -0.562 12.834 -4.790 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 3 +ATOM 3739 H H . VAL A 1 34 ? -1.871 9.668 -2.488 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 3 +ATOM 3740 H HA . VAL A 1 34 ? 0.499 10.582 -3.736 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 3 +ATOM 3741 H HB . VAL A 1 34 ? -1.759 11.100 -4.656 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 3 +ATOM 3742 H HG11 . VAL A 1 34 ? -3.069 12.966 -3.826 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 3 +ATOM 3743 H HG12 . VAL A 1 34 ? -2.009 13.071 -2.419 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 3 +ATOM 3744 H HG13 . VAL A 1 34 ? -2.989 11.628 -2.679 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 3 +ATOM 3745 H HG21 . VAL A 1 34 ? -1.283 13.389 -5.373 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 3 +ATOM 3746 H HG22 . VAL A 1 34 ? 0.141 12.350 -5.450 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 3 +ATOM 3747 H HG23 . VAL A 1 34 ? -0.035 13.508 -4.132 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 3 +ATOM 3748 N N . GLU A 1 35 ? -0.212 11.923 -0.838 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 3 +ATOM 3749 C CA . GLU A 1 35 ? 0.399 12.666 0.258 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 3 +ATOM 3750 C C . GLU A 1 35 ? 1.644 11.947 0.831 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 3 +ATOM 3751 O O . GLU A 1 35 ? 2.696 12.569 1.040 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 3 +ATOM 3752 C CB . GLU A 1 35 ? -0.642 13.030 1.356 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 3 +ATOM 3753 C CG . GLU A 1 35 ? -1.411 11.848 1.922 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 3 +ATOM 3754 C CD . GLU A 1 35 ? -2.517 12.232 2.899 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 3 +ATOM 3755 O OE1 . GLU A 1 35 ? -3.361 13.082 2.566 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 3 +ATOM 3756 O OE2 . GLU A 1 35 ? -2.599 11.636 4.008 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 3 +ATOM 3757 H H . GLU A 1 35 ? -1.108 11.533 -0.713 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 3 +ATOM 3758 H HA . GLU A 1 35 ? 0.758 13.583 -0.187 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 3 +ATOM 3759 H HB2 . GLU A 1 35 ? -0.144 13.533 2.171 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 3 +ATOM 3760 H HB3 . GLU A 1 35 ? -1.357 13.707 0.913 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 3 +ATOM 3761 H HG2 . GLU A 1 35 ? -1.861 11.343 1.081 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 3 +ATOM 3762 H HG3 . GLU A 1 35 ? -0.715 11.182 2.410 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 3 +ATOM 3763 N N . VAL A 1 36 ? 1.551 10.633 1.007 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 3 +ATOM 3764 C CA . VAL A 1 36 ? 2.633 9.873 1.616 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 3 +ATOM 3765 C C . VAL A 1 36 ? 3.896 9.864 0.740 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 3 +ATOM 3766 O O . VAL A 1 36 ? 4.993 9.838 1.254 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 3 +ATOM 3767 C CB . VAL A 1 36 ? 2.225 8.430 2.048 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 3 +ATOM 3768 C CG1 . VAL A 1 36 ? 2.142 7.452 0.876 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 3 +ATOM 3769 C CG2 . VAL A 1 36 ? 3.145 7.916 3.143 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 3 +ATOM 3770 H H . VAL A 1 36 ? 0.737 10.158 0.729 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 3 +ATOM 3771 H HA . VAL A 1 36 ? 2.898 10.430 2.503 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 3 +ATOM 3772 H HB . VAL A 1 36 ? 1.230 8.500 2.463 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 3 +ATOM 3773 H HG11 . VAL A 1 36 ? 1.407 7.807 0.168 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 3 +ATOM 3774 H HG12 . VAL A 1 36 ? 1.854 6.477 1.239 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 3 +ATOM 3775 H HG13 . VAL A 1 36 ? 3.106 7.388 0.392 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 3 +ATOM 3776 H HG21 . VAL A 1 36 ? 4.154 7.888 2.761 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 3 +ATOM 3777 H HG22 . VAL A 1 36 ? 2.841 6.922 3.435 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 3 +ATOM 3778 H HG23 . VAL A 1 36 ? 3.101 8.575 3.998 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 3 +ATOM 3779 N N . LEU A 1 37 ? 3.716 9.924 -0.578 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 3 +ATOM 3780 C CA . LEU A 1 37 ? 4.824 9.904 -1.547 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 3 +ATOM 3781 C C . LEU A 1 37 ? 5.874 10.978 -1.308 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 3 +ATOM 3782 O O . LEU A 1 37 ? 7.030 10.787 -1.685 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 3 +ATOM 3783 C CB . LEU A 1 37 ? 4.316 10.037 -2.982 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 3 +ATOM 3784 C CG . LEU A 1 37 ? 3.631 8.822 -3.590 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 3 +ATOM 3785 C CD1 . LEU A 1 37 ? 3.078 9.182 -4.952 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 3 +ATOM 3786 C CD2 . LEU A 1 37 ? 4.618 7.672 -3.717 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 3 +ATOM 3787 H H . LEU A 1 37 ? 2.799 9.968 -0.920 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 3 +ATOM 3788 H HA . LEU A 1 37 ? 5.310 8.945 -1.462 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 3 +ATOM 3789 H HB2 . LEU A 1 37 ? 3.616 10.858 -3.006 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 3 +ATOM 3790 H HB3 . LEU A 1 37 ? 5.159 10.299 -3.608 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 3 +ATOM 3791 H HG . LEU A 1 37 ? 2.814 8.507 -2.957 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 3 +ATOM 3792 H HD11 . LEU A 1 37 ? 2.397 10.013 -4.860 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 3 +ATOM 3793 H HD12 . LEU A 1 37 ? 2.552 8.337 -5.368 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 3 +ATOM 3794 H HD13 . LEU A 1 37 ? 3.895 9.461 -5.600 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 3 +ATOM 3795 H HD21 . LEU A 1 37 ? 4.144 6.836 -4.207 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 3 +ATOM 3796 H HD22 . LEU A 1 37 ? 4.949 7.367 -2.736 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 3 +ATOM 3797 H HD23 . LEU A 1 37 ? 5.467 7.997 -4.300 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 3 +ATOM 3798 N N . GLU A 1 38 ? 5.502 12.096 -0.686 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 3 +ATOM 3799 C CA . GLU A 1 38 ? 6.478 13.157 -0.496 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 3 +ATOM 3800 C C . GLU A 1 38 ? 7.412 12.857 0.684 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 3 +ATOM 3801 O O . GLU A 1 38 ? 8.483 13.461 0.816 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 3 +ATOM 3802 C CB . GLU A 1 38 ? 5.812 14.513 -0.304 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 3 +ATOM 3803 C CG . GLU A 1 38 ? 5.022 14.647 0.981 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 3 +ATOM 3804 C CD . GLU A 1 38 ? 4.522 16.033 1.173 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 3 +ATOM 3805 O OE1 . GLU A 1 38 ? 5.357 16.944 1.397 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 3 +ATOM 3806 O OE2 . GLU A 1 38 ? 3.297 16.267 1.061 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 3 +ATOM 3807 H H . GLU A 1 38 ? 4.583 12.197 -0.348 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 3 +ATOM 3808 H HA . GLU A 1 38 ? 7.077 13.188 -1.395 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 3 +ATOM 3809 H HB2 . GLU A 1 38 ? 6.575 15.278 -0.310 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 3 +ATOM 3810 H HB3 . GLU A 1 38 ? 5.142 14.689 -1.131 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 3 +ATOM 3811 H HG2 . GLU A 1 38 ? 4.179 13.973 0.949 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 3 +ATOM 3812 H HG3 . GLU A 1 38 ? 5.661 14.386 1.812 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 3 +ATOM 3813 N N . SER A 1 39 ? 6.994 11.959 1.552 1.00 0.00 ? ? ? ? ? ? 36 SER A N 3 +ATOM 3814 C CA . SER A 1 39 ? 7.765 11.567 2.719 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 3 +ATOM 3815 C C . SER A 1 39 ? 7.327 10.179 3.200 1.00 0.00 ? ? ? ? ? ? 36 SER A C 3 +ATOM 3816 O O . SER A 1 39 ? 6.746 10.049 4.260 1.00 0.00 ? ? ? ? ? ? 36 SER A O 3 +ATOM 3817 C CB . SER A 1 39 ? 7.589 12.600 3.849 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 3 +ATOM 3818 O OG . SER A 1 39 ? 8.035 13.908 3.444 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 3 +ATOM 3819 H H . SER A 1 39 ? 6.135 11.507 1.400 1.00 0.00 ? ? ? ? ? ? 36 SER A H 3 +ATOM 3820 H HA . SER A 1 39 ? 8.807 11.516 2.453 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 3 +ATOM 3821 H HB2 . SER A 1 39 ? 6.543 12.655 4.115 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 3 +ATOM 3822 H HB3 . SER A 1 39 ? 8.158 12.286 4.711 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 3 +ATOM 3823 H HG . SER A 1 39 ? 8.402 13.775 2.554 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 3 +ATOM 3824 N N . PRO A 1 40 ? 7.586 9.112 2.419 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 3 +ATOM 3825 C CA . PRO A 1 40 ? 7.122 7.764 2.762 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 3 +ATOM 3826 C C . PRO A 1 40 ? 7.924 7.089 3.874 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 3 +ATOM 3827 O O . PRO A 1 40 ? 7.603 5.993 4.277 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 3 +ATOM 3828 C CB . PRO A 1 40 ? 7.261 7.000 1.451 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 3 +ATOM 3829 C CG . PRO A 1 40 ? 8.392 7.665 0.763 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 3 +ATOM 3830 C CD . PRO A 1 40 ? 8.285 9.126 1.110 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 3 +ATOM 3831 H HA . PRO A 1 40 ? 6.084 7.779 3.055 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 3 +ATOM 3832 H HB2 . PRO A 1 40 ? 7.469 5.962 1.662 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 3 +ATOM 3833 H HB3 . PRO A 1 40 ? 6.348 7.082 0.880 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 3 +ATOM 3834 H HG2 . PRO A 1 40 ? 9.328 7.261 1.121 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 3 +ATOM 3835 H HG3 . PRO A 1 40 ? 8.307 7.527 -0.305 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 3 +ATOM 3836 H HD2 . PRO A 1 40 ? 9.260 9.583 1.190 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 3 +ATOM 3837 H HD3 . PRO A 1 40 ? 7.675 9.633 0.373 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 3 +ATOM 3838 N N . ARG A 1 41 ? 8.927 7.772 4.388 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 3 +ATOM 3839 C CA . ARG A 1 41 ? 9.799 7.246 5.452 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 3 +ATOM 3840 C C . ARG A 1 41 ? 9.172 7.305 6.858 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 3 +ATOM 3841 O O . ARG A 1 41 ? 9.892 7.299 7.856 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 3 +ATOM 3842 C CB . ARG A 1 41 ? 11.166 7.977 5.445 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 3 +ATOM 3843 C CG . ARG A 1 41 ? 11.148 9.519 5.261 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 3 +ATOM 3844 C CD . ARG A 1 41 ? 10.275 10.298 6.264 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 3 +ATOM 3845 N NE . ARG A 1 41 ? 10.544 9.990 7.684 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 3 +ATOM 3846 C CZ . ARG A 1 41 ? 10.419 10.860 8.690 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 3 +ATOM 3847 N NH1 . ARG A 1 41 ? 10.386 12.177 8.442 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 3 +ATOM 3848 N NH2 . ARG A 1 41 ? 10.362 10.422 9.943 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 3 +ATOM 3849 H H . ARG A 1 41 ? 9.090 8.666 4.029 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 3 +ATOM 3850 H HA . ARG A 1 41 ? 9.984 6.209 5.216 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 3 +ATOM 3851 H HB2 . ARG A 1 41 ? 11.646 7.780 6.391 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 3 +ATOM 3852 H HB3 . ARG A 1 41 ? 11.774 7.552 4.660 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 3 +ATOM 3853 H HG2 . ARG A 1 41 ? 12.158 9.887 5.334 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 3 +ATOM 3854 H HG3 . ARG A 1 41 ? 10.791 9.722 4.262 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 3 +ATOM 3855 H HD2 . ARG A 1 41 ? 10.446 11.353 6.114 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 3 +ATOM 3856 H HD3 . ARG A 1 41 ? 9.239 10.080 6.050 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 3 +ATOM 3857 H HE . ARG A 1 41 ? 10.717 9.038 7.892 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 3 +ATOM 3858 H HH11 . ARG A 1 41 ? 10.454 12.554 7.515 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 3 +ATOM 3859 H HH12 . ARG A 1 41 ? 10.300 12.845 9.186 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 3 +ATOM 3860 H HH21 . ARG A 1 41 ? 10.401 9.438 10.178 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 3 +ATOM 3861 H HH22 . ARG A 1 41 ? 10.261 11.040 10.727 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 3 +ATOM 3862 N N . ILE A 1 42 ? 7.875 7.294 6.936 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 3 +ATOM 3863 C CA . ILE A 1 42 ? 7.189 7.471 8.197 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 3 +ATOM 3864 C C . ILE A 1 42 ? 7.131 6.152 8.957 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 3 +ATOM 3865 O O . ILE A 1 42 ? 6.305 5.277 8.675 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 3 +ATOM 3866 C CB . ILE A 1 42 ? 5.772 8.072 7.968 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 3 +ATOM 3867 C CG1 . ILE A 1 42 ? 5.936 9.437 7.288 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 3 +ATOM 3868 C CG2 . ILE A 1 42 ? 5.003 8.214 9.287 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 3 +ATOM 3869 C CD1 . ILE A 1 42 ? 4.648 10.100 6.841 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 3 +ATOM 3870 H H . ILE A 1 42 ? 7.364 7.121 6.118 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 3 +ATOM 3871 H HA . ILE A 1 42 ? 7.769 8.171 8.781 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 3 +ATOM 3872 H HB . ILE A 1 42 ? 5.217 7.425 7.304 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 3 +ATOM 3873 H HG12 . ILE A 1 42 ? 6.419 10.097 7.993 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 3 +ATOM 3874 H HG13 . ILE A 1 42 ? 6.578 9.324 6.426 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 3 +ATOM 3875 H HG21 . ILE A 1 42 ? 4.013 8.595 9.082 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 3 +ATOM 3876 H HG22 . ILE A 1 42 ? 5.520 8.906 9.934 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 3 +ATOM 3877 H HG23 . ILE A 1 42 ? 4.930 7.250 9.767 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 3 +ATOM 3878 H HD11 . ILE A 1 42 ? 4.017 10.312 7.691 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 3 +ATOM 3879 H HD12 . ILE A 1 42 ? 4.136 9.441 6.154 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 3 +ATOM 3880 H HD13 . ILE A 1 42 ? 4.900 11.015 6.325 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 3 +ATOM 3881 N N . GLU A 1 43 ? 8.034 6.026 9.919 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 3 +ATOM 3882 C CA . GLU A 1 43 ? 8.204 4.821 10.720 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 3 +ATOM 3883 C C . GLU A 1 43 ? 6.954 4.428 11.509 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 3 +ATOM 3884 O O . GLU A 1 43 ? 6.804 3.272 11.895 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 3 +ATOM 3885 C CB . GLU A 1 43 ? 9.434 4.902 11.650 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 3 +ATOM 3886 C CG . GLU A 1 43 ? 9.547 6.175 12.484 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 3 +ATOM 3887 C CD . GLU A 1 43 ? 10.237 7.303 11.756 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 3 +ATOM 3888 O OE1 . GLU A 1 43 ? 9.585 8.017 10.988 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 3 +ATOM 3889 O OE2 . GLU A 1 43 ? 11.461 7.493 11.951 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 3 +ATOM 3890 H H . GLU A 1 43 ? 8.631 6.792 10.099 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 3 +ATOM 3891 H HA . GLU A 1 43 ? 8.386 4.028 10.011 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 3 +ATOM 3892 H HB2 . GLU A 1 43 ? 9.399 4.065 12.332 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 3 +ATOM 3893 H HB3 . GLU A 1 43 ? 10.324 4.814 11.045 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 3 +ATOM 3894 H HG2 . GLU A 1 43 ? 8.547 6.510 12.713 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 3 +ATOM 3895 H HG3 . GLU A 1 43 ? 10.081 5.966 13.400 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 3 +ATOM 3896 N N . ALA A 1 44 ? 6.056 5.368 11.724 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 3 +ATOM 3897 C CA . ALA A 1 44 ? 4.812 5.091 12.440 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 3 +ATOM 3898 C C . ALA A 1 44 ? 3.900 4.173 11.614 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 3 +ATOM 3899 O O . ALA A 1 44 ? 3.049 3.457 12.152 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 3 +ATOM 3900 C CB . ALA A 1 44 ? 4.100 6.389 12.771 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 3 +ATOM 3901 H H . ALA A 1 44 ? 6.247 6.276 11.405 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 3 +ATOM 3902 H HA . ALA A 1 44 ? 5.068 4.592 13.363 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 3 +ATOM 3903 H HB1 . ALA A 1 44 ? 4.754 7.022 13.351 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 3 +ATOM 3904 H HB2 . ALA A 1 44 ? 3.209 6.171 13.340 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 3 +ATOM 3905 H HB3 . ALA A 1 44 ? 3.826 6.894 11.857 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 3 +ATOM 3906 N N . ASN A 1 45 ? 4.112 4.169 10.316 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 3 +ATOM 3907 C CA . ASN A 1 45 ? 3.302 3.369 9.404 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 3 +ATOM 3908 C C . ASN A 1 45 ? 4.070 2.149 8.951 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 3 +ATOM 3909 O O . ASN A 1 45 ? 3.552 1.328 8.210 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 3 +ATOM 3910 C CB . ASN A 1 45 ? 2.921 4.188 8.157 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 3 +ATOM 3911 C CG . ASN A 1 45 ? 2.059 5.398 8.446 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 3 +ATOM 3912 O OD1 . ASN A 1 45 ? 1.256 5.403 9.370 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 3 +ATOM 3913 N ND2 . ASN A 1 45 ? 2.222 6.437 7.659 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 3 +ATOM 3914 H H . ASN A 1 45 ? 4.842 4.712 9.945 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 3 +ATOM 3915 H HA . ASN A 1 45 ? 2.398 3.068 9.910 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 3 +ATOM 3916 H HB2 . ASN A 1 45 ? 3.822 4.536 7.677 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 3 +ATOM 3917 H HB3 . ASN A 1 45 ? 2.389 3.544 7.470 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 3 +ATOM 3918 H HD21 . ASN A 1 45 ? 2.879 6.385 6.934 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 3 +ATOM 3919 H HD22 . ASN A 1 45 ? 1.673 7.232 7.836 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 3 +ATOM 3920 N N . LYS A 1 46 ? 5.294 2.028 9.411 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 3 +ATOM 3921 C CA . LYS A 1 46 ? 6.186 1.041 8.961 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 3 +ATOM 3922 C C . LYS A 1 46 ? 5.988 -0.278 9.686 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 3 +ATOM 3923 O O . LYS A 1 46 ? 5.764 -0.317 10.905 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 3 +ATOM 3924 C CB . LYS A 1 46 ? 7.577 1.580 9.162 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 3 +ATOM 3925 C CG . LYS A 1 46 ? 8.628 0.849 8.428 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 3 +ATOM 3926 C CD . LYS A 1 46 ? 9.910 1.667 8.387 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 3 +ATOM 3927 C CE . LYS A 1 46 ? 10.899 1.104 7.390 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 3 +ATOM 3928 N NZ . LYS A 1 46 ? 11.977 2.073 7.079 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 3 +ATOM 3929 H H . LYS A 1 46 ? 5.675 2.604 10.100 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 3 +ATOM 3930 H HA . LYS A 1 46 ? 6.041 0.900 7.901 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 3 +ATOM 3931 H HB2 . LYS A 1 46 ? 7.583 2.604 8.823 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 3 +ATOM 3932 H HB3 . LYS A 1 46 ? 7.802 1.547 10.218 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 3 +ATOM 3933 H HG2 . LYS A 1 46 ? 8.759 -0.088 8.945 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 3 +ATOM 3934 H HG3 . LYS A 1 46 ? 8.227 0.710 7.438 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 3 +ATOM 3935 H HD2 . LYS A 1 46 ? 9.672 2.680 8.103 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 3 +ATOM 3936 H HD3 . LYS A 1 46 ? 10.357 1.664 9.370 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 3 +ATOM 3937 H HE2 . LYS A 1 46 ? 11.338 0.203 7.792 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 3 +ATOM 3938 H HE3 . LYS A 1 46 ? 10.367 0.873 6.479 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 3 +ATOM 3939 H HZ1 . LYS A 1 46 ? 11.554 2.986 6.808 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 3 +ATOM 3940 H HZ2 . LYS A 1 46 ? 12.501 1.748 6.236 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 3 +ATOM 3941 H HZ3 . LYS A 1 46 ? 12.627 2.213 7.877 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 3 +ATOM 3942 N N . LEU A 1 47 ? 6.059 -1.333 8.928 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 3 +ATOM 3943 C CA . LEU A 1 47 ? 5.919 -2.673 9.432 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 3 +ATOM 3944 C C . LEU A 1 47 ? 7.290 -3.207 9.791 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 3 +ATOM 3945 O O . LEU A 1 47 ? 8.198 -3.239 8.948 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 3 +ATOM 3946 C CB . LEU A 1 47 ? 5.281 -3.581 8.383 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 3 +ATOM 3947 C CG . LEU A 1 47 ? 3.892 -3.202 7.868 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 3 +ATOM 3948 C CD1 . LEU A 1 47 ? 3.428 -4.216 6.846 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 3 +ATOM 3949 C CD2 . LEU A 1 47 ? 2.893 -3.121 8.998 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 3 +ATOM 3950 H H . LEU A 1 47 ? 6.234 -1.189 7.969 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 3 +ATOM 3951 H HA . LEU A 1 47 ? 5.293 -2.646 10.311 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 3 +ATOM 3952 H HB2 . LEU A 1 47 ? 5.941 -3.594 7.529 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 3 +ATOM 3953 H HB3 . LEU A 1 47 ? 5.230 -4.579 8.792 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 3 +ATOM 3954 H HG . LEU A 1 47 ? 3.946 -2.237 7.384 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 3 +ATOM 3955 H HD11 . LEU A 1 47 ? 2.445 -3.941 6.493 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 3 +ATOM 3956 H HD12 . LEU A 1 47 ? 3.385 -5.194 7.303 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 3 +ATOM 3957 H HD13 . LEU A 1 47 ? 4.117 -4.238 6.014 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 3 +ATOM 3958 H HD21 . LEU A 1 47 ? 3.184 -2.347 9.692 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 3 +ATOM 3959 H HD22 . LEU A 1 47 ? 2.850 -4.073 9.505 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 3 +ATOM 3960 H HD23 . LEU A 1 47 ? 1.926 -2.890 8.576 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 3 +ATOM 3961 N N . ARG A 1 48 ? 7.436 -3.633 11.004 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 3 +ATOM 3962 C CA . ARG A 1 48 ? 8.703 -4.098 11.500 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 3 +ATOM 3963 C C . ARG A 1 48 ? 8.871 -5.576 11.183 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 3 +ATOM 3964 O O . ARG A 1 48 ? 8.061 -6.403 11.590 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 3 +ATOM 3965 C CB . ARG A 1 48 ? 8.792 -3.833 13.000 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 3 +ATOM 3966 C CG . ARG A 1 48 ? 10.102 -4.244 13.652 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 3 +ATOM 3967 C CD . ARG A 1 48 ? 10.138 -3.784 15.096 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 3 +ATOM 3968 N NE . ARG A 1 48 ? 10.069 -2.323 15.187 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 3 +ATOM 3969 C CZ . ARG A 1 48 ? 9.327 -1.623 16.058 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 3 +ATOM 3970 N NH1 . ARG A 1 48 ? 8.514 -2.248 16.914 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 3 +ATOM 3971 N NH2 . ARG A 1 48 ? 9.377 -0.288 16.044 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 3 +ATOM 3972 H H . ARG A 1 48 ? 6.642 -3.672 11.580 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 3 +ATOM 3973 H HA . ARG A 1 48 ? 9.482 -3.541 10.999 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 3 +ATOM 3974 H HB2 . ARG A 1 48 ? 8.658 -2.775 13.168 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 3 +ATOM 3975 H HB3 . ARG A 1 48 ? 7.989 -4.367 13.488 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 3 +ATOM 3976 H HG2 . ARG A 1 48 ? 10.195 -5.319 13.619 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 3 +ATOM 3977 H HG3 . ARG A 1 48 ? 10.923 -3.791 13.116 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 3 +ATOM 3978 H HD2 . ARG A 1 48 ? 9.301 -4.216 15.621 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 3 +ATOM 3979 H HD3 . ARG A 1 48 ? 11.060 -4.118 15.548 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 3 +ATOM 3980 H HE . ARG A 1 48 ? 10.632 -1.844 14.533 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 3 +ATOM 3981 H HH11 . ARG A 1 48 ? 8.413 -3.245 16.953 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 3 +ATOM 3982 H HH12 . ARG A 1 48 ? 7.960 -1.723 17.566 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 3 +ATOM 3983 H HH21 . ARG A 1 48 ? 9.957 0.222 15.400 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 3 +ATOM 3984 H HH22 . ARG A 1 48 ? 8.828 0.288 16.658 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 3 +ATOM 3985 N N . GLY A 1 49 ? 9.904 -5.895 10.440 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 3 +ATOM 3986 C CA . GLY A 1 49 ? 10.140 -7.273 10.041 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 3 +ATOM 3987 C C . GLY A 1 49 ? 9.741 -7.476 8.602 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 3 +ATOM 3988 O O . GLY A 1 49 ? 9.864 -8.572 8.040 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 3 +ATOM 3989 H H . GLY A 1 49 ? 10.521 -5.190 10.141 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 3 +ATOM 3990 H HA2 . GLY A 1 49 ? 11.187 -7.506 10.165 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 3 +ATOM 3991 H HA3 . GLY A 1 49 ? 9.551 -7.929 10.663 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 3 +ATOM 3992 N N . MET A 1 50 ? 9.258 -6.413 8.018 1.00 0.00 ? ? ? ? ? ? 47 MET A N 3 +ATOM 3993 C CA . MET A 1 50 ? 8.837 -6.376 6.639 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 3 +ATOM 3994 C C . MET A 1 50 ? 9.728 -5.373 5.935 1.00 0.00 ? ? ? ? ? ? 47 MET A C 3 +ATOM 3995 O O . MET A 1 50 ? 9.915 -4.266 6.458 1.00 0.00 ? ? ? ? ? ? 47 MET A O 3 +ATOM 3996 C CB . MET A 1 50 ? 7.379 -5.922 6.577 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 3 +ATOM 3997 C CG . MET A 1 50 ? 6.412 -6.852 7.306 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 3 +ATOM 3998 S SD . MET A 1 50 ? 6.138 -8.418 6.457 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 3 +ATOM 3999 C CE . MET A 1 50 ? 5.111 -7.857 5.097 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 3 +ATOM 4000 H H . MET A 1 50 ? 9.200 -5.583 8.538 1.00 0.00 ? ? ? ? ? ? 47 MET A H 3 +ATOM 4001 H HA . MET A 1 50 ? 8.940 -7.361 6.208 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 3 +ATOM 4002 H HB2 . MET A 1 50 ? 7.329 -4.951 7.046 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 3 +ATOM 4003 H HB3 . MET A 1 50 ? 7.072 -5.826 5.545 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 3 +ATOM 4004 H HG2 . MET A 1 50 ? 6.810 -7.061 8.287 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 3 +ATOM 4005 H HG3 . MET A 1 50 ? 5.465 -6.343 7.408 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 3 +ATOM 4006 H HE1 . MET A 1 50 ? 4.837 -8.703 4.483 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 3 +ATOM 4007 H HE2 . MET A 1 50 ? 5.645 -7.140 4.492 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 3 +ATOM 4008 H HE3 . MET A 1 50 ? 4.214 -7.400 5.489 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 3 +ATOM 4009 N N . PRO A 1 51 ? 10.305 -5.728 4.771 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 3 +ATOM 4010 C CA . PRO A 1 51 ? 11.257 -4.862 4.057 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 3 +ATOM 4011 C C . PRO A 1 51 ? 10.633 -3.545 3.594 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 3 +ATOM 4012 O O . PRO A 1 51 ? 9.944 -3.494 2.560 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 3 +ATOM 4013 C CB . PRO A 1 51 ? 11.708 -5.705 2.858 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 3 +ATOM 4014 C CG . PRO A 1 51 ? 10.634 -6.723 2.680 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 3 +ATOM 4015 C CD . PRO A 1 51 ? 10.071 -6.993 4.048 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 3 +ATOM 4016 H HA . PRO A 1 51 ? 12.107 -4.638 4.684 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 3 +ATOM 4017 H HB2 . PRO A 1 51 ? 11.806 -5.070 1.989 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 3 +ATOM 4018 H HB3 . PRO A 1 51 ? 12.658 -6.166 3.079 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 3 +ATOM 4019 H HG2 . PRO A 1 51 ? 9.867 -6.326 2.032 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 3 +ATOM 4020 H HG3 . PRO A 1 51 ? 11.050 -7.628 2.260 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 3 +ATOM 4021 H HD2 . PRO A 1 51 ? 9.015 -7.210 3.987 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 3 +ATOM 4022 H HD3 . PRO A 1 51 ? 10.598 -7.810 4.517 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 3 +ATOM 4023 N N . ASP A 1 52 ? 10.803 -2.517 4.440 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 3 +ATOM 4024 C CA . ASP A 1 52 ? 10.326 -1.149 4.212 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 3 +ATOM 4025 C C . ASP A 1 52 ? 8.917 -1.083 3.714 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 3 +ATOM 4026 O O . ASP A 1 52 ? 8.608 -0.430 2.712 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 3 +ATOM 4027 C CB . ASP A 1 52 ? 11.307 -0.292 3.398 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 3 +ATOM 4028 C CG . ASP A 1 52 ? 12.429 0.236 4.268 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 3 +ATOM 4029 O OD1 . ASP A 1 52 ? 13.187 -0.564 4.854 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 3 +ATOM 4030 O OD2 . ASP A 1 52 ? 12.530 1.469 4.453 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 3 +ATOM 4031 H H . ASP A 1 52 ? 11.277 -2.722 5.275 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 3 +ATOM 4032 H HA . ASP A 1 52 ? 10.268 -0.719 5.201 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 3 +ATOM 4033 H HB2 . ASP A 1 52 ? 11.733 -0.891 2.607 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 3 +ATOM 4034 H HB3 . ASP A 1 52 ? 10.780 0.548 2.970 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 3 +ATOM 4035 N N . CYS A 1 53 ? 8.064 -1.784 4.413 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 3 +ATOM 4036 C CA . CYS A 1 53 ? 6.679 -1.810 4.099 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 3 +ATOM 4037 C C . CYS A 1 53 ? 5.959 -0.872 5.038 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 3 +ATOM 4038 O O . CYS A 1 53 ? 6.317 -0.770 6.219 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 3 +ATOM 4039 C CB . CYS A 1 53 ? 6.146 -3.229 4.237 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 3 +ATOM 4040 S SG . CYS A 1 53 ? 7.051 -4.449 3.253 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 3 +ATOM 4041 H H . CYS A 1 53 ? 8.387 -2.304 5.178 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 3 +ATOM 4042 H HA . CYS A 1 53 ? 6.547 -1.479 3.082 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 3 +ATOM 4043 H HB2 . CYS A 1 53 ? 6.208 -3.529 5.273 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 3 +ATOM 4044 H HB3 . CYS A 1 53 ? 5.113 -3.251 3.923 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 3 +ATOM 4045 H HG . CYS A 1 53 ? 8.180 -3.879 2.840 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 3 +ATOM 4046 N N . TYR A 1 54 ? 4.985 -0.187 4.527 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 3 +ATOM 4047 C CA . TYR A 1 54 ? 4.225 0.776 5.282 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 3 +ATOM 4048 C C . TYR A 1 54 ? 2.762 0.530 5.007 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 3 +ATOM 4049 O O . TYR A 1 54 ? 2.411 -0.032 3.953 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 3 +ATOM 4050 C CB . TYR A 1 54 ? 4.596 2.220 4.880 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 3 +ATOM 4051 C CG . TYR A 1 54 ? 6.068 2.594 5.034 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 3 +ATOM 4052 C CD1 . TYR A 1 54 ? 7.003 2.226 4.077 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 3 +ATOM 4053 C CD2 . TYR A 1 54 ? 6.515 3.314 6.127 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 3 +ATOM 4054 C CE1 . TYR A 1 54 ? 8.334 2.559 4.205 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 3 +ATOM 4055 C CE2 . TYR A 1 54 ? 7.852 3.654 6.259 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 3 +ATOM 4056 C CZ . TYR A 1 54 ? 8.755 3.271 5.292 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 3 +ATOM 4057 O OH . TYR A 1 54 ? 10.093 3.600 5.419 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 3 +ATOM 4058 H H . TYR A 1 54 ? 4.732 -0.340 3.587 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 3 +ATOM 4059 H HA . TYR A 1 54 ? 4.424 0.630 6.334 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 3 +ATOM 4060 H HB2 . TYR A 1 54 ? 4.334 2.368 3.842 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 3 +ATOM 4061 H HB3 . TYR A 1 54 ? 4.014 2.906 5.478 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 3 +ATOM 4062 H HD1 . TYR A 1 54 ? 6.671 1.664 3.216 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 3 +ATOM 4063 H HD2 . TYR A 1 54 ? 5.808 3.612 6.886 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 3 +ATOM 4064 H HE1 . TYR A 1 54 ? 9.040 2.257 3.446 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 3 +ATOM 4065 H HE2 . TYR A 1 54 ? 8.181 4.217 7.120 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 3 +ATOM 4066 H HH . TYR A 1 54 ? 10.408 3.898 4.555 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 3 +ATOM 4067 N N . LYS A 1 55 ? 1.920 0.918 5.922 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 3 +ATOM 4068 C CA . LYS A 1 55 ? 0.506 0.695 5.786 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 3 +ATOM 4069 C C . LYS A 1 55 ? -0.305 1.971 5.938 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 3 +ATOM 4070 O O . LYS A 1 55 ? 0.060 2.896 6.683 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 3 +ATOM 4071 C CB . LYS A 1 55 ? 0.014 -0.362 6.786 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 3 +ATOM 4072 C CG . LYS A 1 55 ? 0.386 -0.066 8.232 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 3 +ATOM 4073 C CD . LYS A 1 55 ? -0.240 -1.061 9.188 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 3 +ATOM 4074 C CE . LYS A 1 55 ? 0.316 -0.891 10.588 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 3 +ATOM 4075 N NZ . LYS A 1 55 ? -0.316 -1.805 11.549 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 3 +ATOM 4076 H H . LYS A 1 55 ? 2.261 1.366 6.727 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 3 +ATOM 4077 H HA . LYS A 1 55 ? 0.338 0.306 4.792 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 3 +ATOM 4078 H HB2 . LYS A 1 55 ? -1.063 -0.426 6.721 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 3 +ATOM 4079 H HB3 . LYS A 1 55 ? 0.441 -1.318 6.517 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 3 +ATOM 4080 H HG2 . LYS A 1 55 ? 1.460 -0.117 8.333 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 3 +ATOM 4081 H HG3 . LYS A 1 55 ? 0.046 0.929 8.482 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 3 +ATOM 4082 H HD2 . LYS A 1 55 ? -1.308 -0.892 9.214 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 3 +ATOM 4083 H HD3 . LYS A 1 55 ? -0.041 -2.066 8.846 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 3 +ATOM 4084 H HE2 . LYS A 1 55 ? 1.378 -1.087 10.566 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 3 +ATOM 4085 H HE3 . LYS A 1 55 ? 0.149 0.128 10.904 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 3 +ATOM 4086 H HZ1 . LYS A 1 55 ? -0.390 -2.773 11.167 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 3 +ATOM 4087 H HZ2 . LYS A 1 55 ? -1.273 -1.488 11.802 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 3 +ATOM 4088 H HZ3 . LYS A 1 55 ? 0.233 -1.861 12.430 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 3 +ATOM 4089 N N . ILE A 1 56 ? -1.386 2.007 5.222 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 3 +ATOM 4090 C CA . ILE A 1 56 ? -2.359 3.061 5.296 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 3 +ATOM 4091 C C . ILE A 1 56 ? -3.573 2.479 5.956 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 3 +ATOM 4092 O O . ILE A 1 56 ? -3.893 1.320 5.712 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 3 +ATOM 4093 C CB . ILE A 1 56 ? -2.745 3.577 3.888 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 3 +ATOM 4094 C CG1 . ILE A 1 56 ? -1.514 4.122 3.179 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 3 +ATOM 4095 C CG2 . ILE A 1 56 ? -3.839 4.648 3.971 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 3 +ATOM 4096 C CD1 . ILE A 1 56 ? -1.765 4.558 1.759 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 3 +ATOM 4097 H H . ILE A 1 56 ? -1.538 1.266 4.593 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 3 +ATOM 4098 H HA . ILE A 1 56 ? -1.965 3.870 5.890 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 3 +ATOM 4099 H HB . ILE A 1 56 ? -3.134 2.746 3.321 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 3 +ATOM 4100 H HG12 . ILE A 1 56 ? -1.137 4.973 3.727 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 3 +ATOM 4101 H HG13 . ILE A 1 56 ? -0.767 3.342 3.170 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 3 +ATOM 4102 H HG21 . ILE A 1 56 ? -3.487 5.476 4.568 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 3 +ATOM 4103 H HG22 . ILE A 1 56 ? -4.721 4.230 4.435 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 3 +ATOM 4104 H HG23 . ILE A 1 56 ? -4.082 4.996 2.977 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 3 +ATOM 4105 H HD11 . ILE A 1 56 ? -2.063 3.703 1.170 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 3 +ATOM 4106 H HD12 . ILE A 1 56 ? -0.870 4.998 1.345 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 3 +ATOM 4107 H HD13 . ILE A 1 56 ? -2.559 5.288 1.748 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 3 +ATOM 4108 N N . LYS A 1 57 ? -4.222 3.237 6.792 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 3 +ATOM 4109 C CA . LYS A 1 57 ? -5.375 2.755 7.480 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 3 +ATOM 4110 C C . LYS A 1 57 ? -6.464 3.801 7.474 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 3 +ATOM 4111 O O . LYS A 1 57 ? -6.184 4.995 7.616 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 3 +ATOM 4112 C CB . LYS A 1 57 ? -5.050 2.301 8.925 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 3 +ATOM 4113 C CG . LYS A 1 57 ? -4.547 3.388 9.872 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 3 +ATOM 4114 C CD . LYS A 1 57 ? -3.105 3.795 9.624 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 3 +ATOM 4115 C CE . LYS A 1 57 ? -2.755 4.933 10.537 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 3 +ATOM 4116 N NZ . LYS A 1 57 ? -1.357 5.388 10.399 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 3 +ATOM 4117 H H . LYS A 1 57 ? -3.952 4.169 6.936 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 3 +ATOM 4118 H HA . LYS A 1 57 ? -5.725 1.900 6.929 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 3 +ATOM 4119 H HB2 . LYS A 1 57 ? -5.941 1.873 9.357 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 3 +ATOM 4120 H HB3 . LYS A 1 57 ? -4.298 1.527 8.873 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 3 +ATOM 4121 H HG2 . LYS A 1 57 ? -5.168 4.262 9.744 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 3 +ATOM 4122 H HG3 . LYS A 1 57 ? -4.644 3.040 10.889 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 3 +ATOM 4123 H HD2 . LYS A 1 57 ? -2.458 2.956 9.829 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 3 +ATOM 4124 H HD3 . LYS A 1 57 ? -2.992 4.108 8.597 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 3 +ATOM 4125 H HE2 . LYS A 1 57 ? -3.428 5.730 10.260 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 3 +ATOM 4126 H HE3 . LYS A 1 57 ? -2.960 4.616 11.547 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 3 +ATOM 4127 H HZ1 . LYS A 1 57 ? -1.125 5.723 9.442 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 3 +ATOM 4128 H HZ2 . LYS A 1 57 ? -0.661 4.666 10.672 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 3 +ATOM 4129 H HZ3 . LYS A 1 57 ? -1.195 6.187 11.046 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 3 +ATOM 4130 N N . LEU A 1 58 ? -7.685 3.383 7.258 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 3 +ATOM 4131 C CA . LEU A 1 58 ? -8.798 4.294 7.322 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 3 +ATOM 4132 C C . LEU A 1 58 ? -9.206 4.553 8.747 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 3 +ATOM 4133 O O . LEU A 1 58 ? -8.838 3.818 9.649 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 3 +ATOM 4134 C CB . LEU A 1 58 ? -9.995 3.820 6.497 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 3 +ATOM 4135 C CG . LEU A 1 58 ? -10.003 4.196 5.019 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 3 +ATOM 4136 C CD1 . LEU A 1 58 ? -11.282 3.736 4.363 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 3 +ATOM 4137 C CD2 . LEU A 1 58 ? -9.886 5.683 4.883 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 3 +ATOM 4138 H H . LEU A 1 58 ? -7.841 2.435 7.047 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 3 +ATOM 4139 H HA . LEU A 1 58 ? -8.449 5.231 6.919 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 3 +ATOM 4140 H HB2 . LEU A 1 58 ? -10.035 2.743 6.567 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 3 +ATOM 4141 H HB3 . LEU A 1 58 ? -10.885 4.218 6.957 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 3 +ATOM 4142 H HG . LEU A 1 58 ? -9.174 3.746 4.492 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 3 +ATOM 4143 H HD11 . LEU A 1 58 ? -11.353 2.659 4.405 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 3 +ATOM 4144 H HD12 . LEU A 1 58 ? -11.295 4.082 3.339 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 3 +ATOM 4145 H HD13 . LEU A 1 58 ? -12.115 4.176 4.892 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 3 +ATOM 4146 H HD21 . LEU A 1 58 ? -8.919 6.018 5.224 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 3 +ATOM 4147 H HD22 . LEU A 1 58 ? -10.659 6.122 5.495 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 3 +ATOM 4148 H HD23 . LEU A 1 58 ? -10.034 5.949 3.850 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 3 +ATOM 4149 N N . ARG A 1 59 ? -9.937 5.611 8.958 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 3 +ATOM 4150 C CA . ARG A 1 59 ? -10.394 5.925 10.288 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 3 +ATOM 4151 C C . ARG A 1 59 ? -11.836 5.456 10.434 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 3 +ATOM 4152 O O . ARG A 1 59 ? -12.217 4.859 11.440 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 3 +ATOM 4153 C CB . ARG A 1 59 ? -10.320 7.436 10.556 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 3 +ATOM 4154 C CG . ARG A 1 59 ? -8.976 8.105 10.272 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 3 +ATOM 4155 C CD . ARG A 1 59 ? -7.825 7.469 11.030 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 3 +ATOM 4156 N NE . ARG A 1 59 ? -6.609 8.296 10.943 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 3 +ATOM 4157 C CZ . ARG A 1 59 ? -5.499 7.997 10.251 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 3 +ATOM 4158 N NH1 . ARG A 1 59 ? -5.472 6.951 9.439 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 3 +ATOM 4159 N NH2 . ARG A 1 59 ? -4.434 8.781 10.340 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 3 +ATOM 4160 H H . ARG A 1 59 ? -10.175 6.201 8.212 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 3 +ATOM 4161 H HA . ARG A 1 59 ? -9.772 5.402 10.998 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 3 +ATOM 4162 H HB2 . ARG A 1 59 ? -11.068 7.931 9.956 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 3 +ATOM 4163 H HB3 . ARG A 1 59 ? -10.560 7.602 11.596 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 3 +ATOM 4164 H HG2 . ARG A 1 59 ? -8.767 8.032 9.214 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 3 +ATOM 4165 H HG3 . ARG A 1 59 ? -9.041 9.148 10.546 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 3 +ATOM 4166 H HD2 . ARG A 1 59 ? -8.107 7.357 12.066 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 3 +ATOM 4167 H HD3 . ARG A 1 59 ? -7.620 6.498 10.606 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 3 +ATOM 4168 H HE . ARG A 1 59 ? -6.640 9.114 11.491 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 3 +ATOM 4169 H HH11 . ARG A 1 59 ? -6.245 6.328 9.296 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 3 +ATOM 4170 H HH12 . ARG A 1 59 ? -4.664 6.730 8.887 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 3 +ATOM 4171 H HH21 . ARG A 1 59 ? -4.446 9.606 10.914 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 3 +ATOM 4172 H HH22 . ARG A 1 59 ? -3.566 8.587 9.874 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 3 +ATOM 4173 N N . SER A 1 60 ? -12.609 5.678 9.384 1.00 0.00 ? ? ? ? ? ? 57 SER A N 3 +ATOM 4174 C CA . SER A 1 60 ? -14.029 5.377 9.358 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 3 +ATOM 4175 C C . SER A 1 60 ? -14.288 3.939 8.888 1.00 0.00 ? ? ? ? ? ? 57 SER A C 3 +ATOM 4176 O O . SER A 1 60 ? -15.437 3.497 8.785 1.00 0.00 ? ? ? ? ? ? 57 SER A O 3 +ATOM 4177 C CB . SER A 1 60 ? -14.733 6.389 8.437 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 3 +ATOM 4178 O OG . SER A 1 60 ? -16.144 6.251 8.448 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 3 +ATOM 4179 H H . SER A 1 60 ? -12.214 6.093 8.589 1.00 0.00 ? ? ? ? ? ? 57 SER A H 3 +ATOM 4180 H HA . SER A 1 60 ? -14.414 5.498 10.357 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 3 +ATOM 4181 H HB2 . SER A 1 60 ? -14.488 7.390 8.760 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 3 +ATOM 4182 H HB3 . SER A 1 60 ? -14.379 6.249 7.427 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 3 +ATOM 4183 H HG . SER A 1 60 ? -16.379 5.377 8.790 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 3 +ATOM 4184 N N . SER A 1 61 ? -13.238 3.228 8.598 1.00 0.00 ? ? ? ? ? ? 58 SER A N 3 +ATOM 4185 C CA . SER A 1 61 ? -13.327 1.865 8.155 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 3 +ATOM 4186 C C . SER A 1 61 ? -12.037 1.187 8.567 1.00 0.00 ? ? ? ? ? ? 58 SER A C 3 +ATOM 4187 O O . SER A 1 61 ? -11.065 1.876 8.868 1.00 0.00 ? ? ? ? ? ? 58 SER A O 3 +ATOM 4188 C CB . SER A 1 61 ? -13.501 1.813 6.624 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 3 +ATOM 4189 O OG . SER A 1 61 ? -14.609 2.606 6.192 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 3 +ATOM 4190 H H . SER A 1 61 ? -12.339 3.600 8.716 1.00 0.00 ? ? ? ? ? ? 58 SER A H 3 +ATOM 4191 H HA . SER A 1 61 ? -14.166 1.392 8.642 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 3 +ATOM 4192 H HB2 . SER A 1 61 ? -12.604 2.183 6.150 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 3 +ATOM 4193 H HB3 . SER A 1 61 ? -13.670 0.789 6.326 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 3 +ATOM 4194 H HG . SER A 1 61 ? -15.197 2.733 6.953 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 3 +ATOM 4195 N N . GLY A 1 62 ? -12.008 -0.117 8.568 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 3 +ATOM 4196 C CA . GLY A 1 62 ? -10.822 -0.828 8.965 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 3 +ATOM 4197 C C . GLY A 1 62 ? -10.005 -1.272 7.778 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 3 +ATOM 4198 O O . GLY A 1 62 ? -9.292 -2.288 7.840 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 3 +ATOM 4199 H H . GLY A 1 62 ? -12.800 -0.640 8.306 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 3 +ATOM 4200 H HA2 . GLY A 1 62 ? -10.220 -0.185 9.589 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 3 +ATOM 4201 H HA3 . GLY A 1 62 ? -11.111 -1.698 9.536 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 3 +ATOM 4202 N N . TYR A 1 63 ? -10.080 -0.513 6.708 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 3 +ATOM 4203 C CA . TYR A 1 63 ? -9.373 -0.849 5.507 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 3 +ATOM 4204 C C . TYR A 1 63 ? -7.947 -0.383 5.574 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 3 +ATOM 4205 O O . TYR A 1 63 ? -7.657 0.724 6.051 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 3 +ATOM 4206 C CB . TYR A 1 63 ? -10.087 -0.338 4.251 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 3 +ATOM 4207 C CG . TYR A 1 63 ? -11.230 -1.232 3.793 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 3 +ATOM 4208 C CD1 . TYR A 1 63 ? -12.426 -1.305 4.495 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 3 +ATOM 4209 C CD2 . TYR A 1 63 ? -11.093 -2.020 2.655 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 3 +ATOM 4210 C CE1 . TYR A 1 63 ? -13.450 -2.136 4.074 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 3 +ATOM 4211 C CE2 . TYR A 1 63 ? -12.108 -2.852 2.230 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 3 +ATOM 4212 C CZ . TYR A 1 63 ? -13.282 -2.907 2.939 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 3 +ATOM 4213 O OH . TYR A 1 63 ? -14.298 -3.742 2.516 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 3 +ATOM 4214 H H . TYR A 1 63 ? -10.582 0.328 6.742 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 3 +ATOM 4215 H HA . TYR A 1 63 ? -9.353 -1.927 5.469 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 3 +ATOM 4216 H HB2 . TYR A 1 63 ? -10.496 0.641 4.458 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 3 +ATOM 4217 H HB3 . TYR A 1 63 ? -9.373 -0.260 3.445 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 3 +ATOM 4218 H HD1 . TYR A 1 63 ? -12.550 -0.698 5.380 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 3 +ATOM 4219 H HD2 . TYR A 1 63 ? -10.170 -1.978 2.097 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 3 +ATOM 4220 H HE1 . TYR A 1 63 ? -14.374 -2.180 4.632 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 3 +ATOM 4221 H HE2 . TYR A 1 63 ? -11.977 -3.455 1.344 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 3 +ATOM 4222 H HH . TYR A 1 63 ? -15.111 -3.228 2.573 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 3 +ATOM 4223 N N . ARG A 1 64 ? -7.071 -1.244 5.140 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 3 +ATOM 4224 C CA . ARG A 1 64 ? -5.654 -1.015 5.146 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 3 +ATOM 4225 C C . ARG A 1 64 ? -5.082 -1.280 3.782 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 3 +ATOM 4226 O O . ARG A 1 64 ? -5.588 -2.120 3.025 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 3 +ATOM 4227 C CB . ARG A 1 64 ? -4.905 -1.901 6.167 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 3 +ATOM 4228 C CG . ARG A 1 64 ? -4.828 -1.399 7.615 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 3 +ATOM 4229 C CD . ARG A 1 64 ? -6.172 -1.305 8.299 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 3 +ATOM 4230 N NE . ARG A 1 64 ? -6.017 -1.047 9.732 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 3 +ATOM 4231 C CZ . ARG A 1 64 ? -6.848 -1.476 10.687 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 3 +ATOM 4232 N NH1 . ARG A 1 64 ? -7.970 -2.126 10.367 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 3 +ATOM 4233 N NH2 . ARG A 1 64 ? -6.566 -1.238 11.960 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 3 +ATOM 4234 H H . ARG A 1 64 ? -7.396 -2.080 4.730 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 3 +ATOM 4235 H HA . ARG A 1 64 ? -5.486 0.021 5.404 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 3 +ATOM 4236 H HB2 . ARG A 1 64 ? -5.389 -2.867 6.192 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 3 +ATOM 4237 H HB3 . ARG A 1 64 ? -3.896 -2.041 5.805 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 3 +ATOM 4238 H HG2 . ARG A 1 64 ? -4.207 -2.075 8.183 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 3 +ATOM 4239 H HG3 . ARG A 1 64 ? -4.365 -0.423 7.612 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 3 +ATOM 4240 H HD2 . ARG A 1 64 ? -6.733 -0.496 7.854 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 3 +ATOM 4241 H HD3 . ARG A 1 64 ? -6.706 -2.234 8.162 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 3 +ATOM 4242 H HE . ARG A 1 64 ? -5.213 -0.536 9.977 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 3 +ATOM 4243 H HH11 . ARG A 1 64 ? -8.230 -2.309 9.415 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 3 +ATOM 4244 H HH12 . ARG A 1 64 ? -8.602 -2.454 11.075 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 3 +ATOM 4245 H HH21 . ARG A 1 64 ? -5.748 -0.739 12.256 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 3 +ATOM 4246 H HH22 . ARG A 1 64 ? -7.162 -1.569 12.695 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 3 +ATOM 4247 N N . LEU A 1 65 ? -4.050 -0.579 3.478 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 3 +ATOM 4248 C CA . LEU A 1 65 ? -3.328 -0.745 2.256 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 3 +ATOM 4249 C C . LEU A 1 65 ? -1.868 -0.872 2.638 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 3 +ATOM 4250 O O . LEU A 1 65 ? -1.351 -0.023 3.355 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 3 +ATOM 4251 C CB . LEU A 1 65 ? -3.605 0.468 1.326 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 3 +ATOM 4252 C CG . LEU A 1 65 ? -3.020 0.446 -0.103 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 3 +ATOM 4253 C CD1 . LEU A 1 65 ? -3.717 1.484 -0.958 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 3 +ATOM 4254 C CD2 . LEU A 1 65 ? -1.541 0.755 -0.099 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 3 +ATOM 4255 H H . LEU A 1 65 ? -3.744 0.098 4.123 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 3 +ATOM 4256 H HA . LEU A 1 65 ? -3.660 -1.659 1.786 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 3 +ATOM 4257 H HB2 . LEU A 1 65 ? -4.676 0.575 1.237 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 3 +ATOM 4258 H HB3 . LEU A 1 65 ? -3.229 1.350 1.822 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 3 +ATOM 4259 H HG . LEU A 1 65 ? -3.173 -0.532 -0.536 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 3 +ATOM 4260 H HD11 . LEU A 1 65 ? -4.768 1.247 -1.019 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 3 +ATOM 4261 H HD12 . LEU A 1 65 ? -3.282 1.478 -1.946 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 3 +ATOM 4262 H HD13 . LEU A 1 65 ? -3.589 2.460 -0.515 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 3 +ATOM 4263 H HD21 . LEU A 1 65 ? -1.396 1.735 0.330 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 3 +ATOM 4264 H HD22 . LEU A 1 65 ? -1.173 0.749 -1.113 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 3 +ATOM 4265 H HD23 . LEU A 1 65 ? -1.014 0.020 0.490 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 3 +ATOM 4266 N N . VAL A 1 66 ? -1.228 -1.931 2.211 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 3 +ATOM 4267 C CA . VAL A 1 66 ? 0.151 -2.183 2.572 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 3 +ATOM 4268 C C . VAL A 1 66 ? 1.016 -2.122 1.321 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 3 +ATOM 4269 O O . VAL A 1 66 ? 0.722 -2.786 0.310 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 3 +ATOM 4270 C CB . VAL A 1 66 ? 0.321 -3.568 3.271 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 3 +ATOM 4271 C CG1 . VAL A 1 66 ? 1.754 -3.775 3.747 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 3 +ATOM 4272 C CG2 . VAL A 1 66 ? -0.641 -3.704 4.443 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 3 +ATOM 4273 H H . VAL A 1 66 ? -1.673 -2.562 1.600 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 3 +ATOM 4274 H HA . VAL A 1 66 ? 0.462 -1.403 3.251 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 3 +ATOM 4275 H HB . VAL A 1 66 ? 0.090 -4.339 2.552 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 3 +ATOM 4276 H HG11 . VAL A 1 66 ? 2.437 -3.705 2.912 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 3 +ATOM 4277 H HG12 . VAL A 1 66 ? 1.837 -4.747 4.208 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 3 +ATOM 4278 H HG13 . VAL A 1 66 ? 2.004 -3.027 4.486 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 3 +ATOM 4279 H HG21 . VAL A 1 66 ? -0.438 -2.927 5.165 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 3 +ATOM 4280 H HG22 . VAL A 1 66 ? -0.515 -4.670 4.909 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 3 +ATOM 4281 H HG23 . VAL A 1 66 ? -1.656 -3.604 4.088 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 3 +ATOM 4282 N N . TYR A 1 67 ? 2.050 -1.334 1.380 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 3 +ATOM 4283 C CA . TYR A 1 67 ? 2.935 -1.140 0.258 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 3 +ATOM 4284 C C . TYR A 1 67 ? 4.377 -1.178 0.715 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 3 +ATOM 4285 O O . TYR A 1 67 ? 4.654 -0.976 1.896 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 3 +ATOM 4286 C CB . TYR A 1 67 ? 2.633 0.206 -0.445 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 3 +ATOM 4287 C CG . TYR A 1 67 ? 2.719 1.442 0.442 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 3 +ATOM 4288 C CD1 . TYR A 1 67 ? 3.941 1.960 0.863 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 3 +ATOM 4289 C CD2 . TYR A 1 67 ? 1.576 2.090 0.846 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 3 +ATOM 4290 C CE1 . TYR A 1 67 ? 4.003 3.076 1.657 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 3 +ATOM 4291 C CE2 . TYR A 1 67 ? 1.633 3.205 1.641 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 3 +ATOM 4292 C CZ . TYR A 1 67 ? 2.845 3.693 2.044 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 3 +ATOM 4293 O OH . TYR A 1 67 ? 2.899 4.798 2.848 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 3 +ATOM 4294 H H . TYR A 1 67 ? 2.253 -0.869 2.223 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 3 +ATOM 4295 H HA . TYR A 1 67 ? 2.760 -1.940 -0.447 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 3 +ATOM 4296 H HB2 . TYR A 1 67 ? 3.318 0.349 -1.268 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 3 +ATOM 4297 H HB3 . TYR A 1 67 ? 1.628 0.160 -0.840 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 3 +ATOM 4298 H HD1 . TYR A 1 67 ? 4.853 1.469 0.555 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 3 +ATOM 4299 H HD2 . TYR A 1 67 ? 0.620 1.703 0.530 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 3 +ATOM 4300 H HE1 . TYR A 1 67 ? 4.961 3.462 1.974 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 3 +ATOM 4301 H HE2 . TYR A 1 67 ? 0.721 3.700 1.937 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 3 +ATOM 4302 H HH . TYR A 1 67 ? 3.598 5.371 2.522 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 3 +ATOM 4303 N N . GLN A 1 68 ? 5.273 -1.446 -0.190 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 3 +ATOM 4304 C CA . GLN A 1 68 ? 6.679 -1.400 0.117 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 3 +ATOM 4305 C C . GLN A 1 68 ? 7.315 -0.266 -0.635 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 3 +ATOM 4306 O O . GLN A 1 68 ? 6.970 0.003 -1.794 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 3 +ATOM 4307 C CB . GLN A 1 68 ? 7.405 -2.721 -0.196 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 3 +ATOM 4308 C CG . GLN A 1 68 ? 7.322 -3.171 -1.654 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 3 +ATOM 4309 C CD . GLN A 1 68 ? 8.093 -4.451 -1.941 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 3 +ATOM 4310 O OE1 . GLN A 1 68 ? 7.719 -5.227 -2.823 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 3 +ATOM 4311 N NE2 . GLN A 1 68 ? 9.180 -4.676 -1.233 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 3 +ATOM 4312 H H . GLN A 1 68 ? 4.985 -1.661 -1.107 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 3 +ATOM 4313 H HA . GLN A 1 68 ? 6.773 -1.186 1.170 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 3 +ATOM 4314 H HB2 . GLN A 1 68 ? 8.448 -2.585 0.047 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 3 +ATOM 4315 H HB3 . GLN A 1 68 ? 7.003 -3.496 0.436 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 3 +ATOM 4316 H HG2 . GLN A 1 68 ? 6.286 -3.335 -1.908 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 3 +ATOM 4317 H HG3 . GLN A 1 68 ? 7.716 -2.383 -2.279 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 3 +ATOM 4318 H HE21 . GLN A 1 68 ? 9.462 -4.026 -0.557 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 3 +ATOM 4319 H HE22 . GLN A 1 68 ? 9.674 -5.503 -1.420 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 3 +ATOM 4320 N N . VAL A 1 69 ? 8.195 0.419 0.009 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 3 +ATOM 4321 C CA . VAL A 1 69 ? 8.909 1.478 -0.622 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 3 +ATOM 4322 C C . VAL A 1 69 ? 10.196 0.916 -1.163 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 3 +ATOM 4323 O O . VAL A 1 69 ? 11.071 0.495 -0.405 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 3 +ATOM 4324 C CB . VAL A 1 69 ? 9.194 2.639 0.366 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 3 +ATOM 4325 C CG1 . VAL A 1 69 ? 10.077 3.707 -0.268 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 3 +ATOM 4326 C CG2 . VAL A 1 69 ? 7.888 3.259 0.823 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 3 +ATOM 4327 H H . VAL A 1 69 ? 8.393 0.191 0.946 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 3 +ATOM 4328 H HA . VAL A 1 69 ? 8.310 1.848 -1.442 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 3 +ATOM 4329 H HB . VAL A 1 69 ? 9.698 2.240 1.233 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 3 +ATOM 4330 H HG11 . VAL A 1 69 ? 11.015 3.256 -0.557 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 3 +ATOM 4331 H HG12 . VAL A 1 69 ? 10.262 4.483 0.461 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 3 +ATOM 4332 H HG13 . VAL A 1 69 ? 9.588 4.123 -1.135 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 3 +ATOM 4333 H HG21 . VAL A 1 69 ? 8.098 4.029 1.550 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 3 +ATOM 4334 H HG22 . VAL A 1 69 ? 7.264 2.497 1.268 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 3 +ATOM 4335 H HG23 . VAL A 1 69 ? 7.375 3.693 -0.023 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 3 +ATOM 4336 N N . ILE A 1 70 ? 10.303 0.864 -2.454 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 3 +ATOM 4337 C CA . ILE A 1 70 ? 11.485 0.363 -3.059 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 3 +ATOM 4338 C C . ILE A 1 70 ? 12.308 1.566 -3.445 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 3 +ATOM 4339 O O . ILE A 1 70 ? 12.098 2.174 -4.493 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 3 +ATOM 4340 C CB . ILE A 1 70 ? 11.169 -0.506 -4.310 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 3 +ATOM 4341 C CG1 . ILE A 1 70 ? 10.086 -1.546 -3.970 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 3 +ATOM 4342 C CG2 . ILE A 1 70 ? 12.434 -1.216 -4.781 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 3 +ATOM 4343 C CD1 . ILE A 1 70 ? 9.602 -2.352 -5.158 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 3 +ATOM 4344 H H . ILE A 1 70 ? 9.586 1.189 -3.044 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 3 +ATOM 4345 H HA . ILE A 1 70 ? 12.017 -0.226 -2.328 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 3 +ATOM 4346 H HB . ILE A 1 70 ? 10.808 0.134 -5.102 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 3 +ATOM 4347 H HG12 . ILE A 1 70 ? 10.481 -2.239 -3.242 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 3 +ATOM 4348 H HG13 . ILE A 1 70 ? 9.237 -1.033 -3.542 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 3 +ATOM 4349 H HG21 . ILE A 1 70 ? 12.795 -1.864 -3.997 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 3 +ATOM 4350 H HG22 . ILE A 1 70 ? 13.191 -0.484 -5.017 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 3 +ATOM 4351 H HG23 . ILE A 1 70 ? 12.210 -1.801 -5.659 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 3 +ATOM 4352 H HD11 . ILE A 1 70 ? 10.437 -2.863 -5.613 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 3 +ATOM 4353 H HD12 . ILE A 1 70 ? 9.145 -1.689 -5.879 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 3 +ATOM 4354 H HD13 . ILE A 1 70 ? 8.874 -3.077 -4.826 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 3 +ATOM 4355 N N . ASP A 1 71 ? 13.219 1.922 -2.582 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 3 +ATOM 4356 C CA . ASP A 1 71 ? 14.022 3.109 -2.723 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 3 +ATOM 4357 C C . ASP A 1 71 ? 15.039 2.948 -3.825 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 3 +ATOM 4358 O O . ASP A 1 71 ? 15.377 3.908 -4.518 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 3 +ATOM 4359 C CB . ASP A 1 71 ? 14.696 3.469 -1.385 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 3 +ATOM 4360 C CG . ASP A 1 71 ? 15.710 2.446 -0.884 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 3 +ATOM 4361 O OD1 . ASP A 1 71 ? 15.337 1.282 -0.644 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 3 +ATOM 4362 O OD2 . ASP A 1 71 ? 16.888 2.810 -0.675 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 3 +ATOM 4363 H H . ASP A 1 71 ? 13.398 1.358 -1.796 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 3 +ATOM 4364 H HA . ASP A 1 71 ? 13.358 3.916 -2.994 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 3 +ATOM 4365 H HB2 . ASP A 1 71 ? 15.214 4.403 -1.515 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 3 +ATOM 4366 H HB3 . ASP A 1 71 ? 13.930 3.590 -0.633 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 3 +ATOM 4367 N N . GLU A 1 72 ? 15.481 1.729 -4.021 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 3 +ATOM 4368 C CA . GLU A 1 72 ? 16.444 1.416 -5.053 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 3 +ATOM 4369 C C . GLU A 1 72 ? 15.825 1.551 -6.442 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 3 +ATOM 4370 O O . GLU A 1 72 ? 16.491 1.944 -7.388 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 3 +ATOM 4371 C CB . GLU A 1 72 ? 17.028 0.029 -4.839 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 3 +ATOM 4372 C CG . GLU A 1 72 ? 17.760 -0.114 -3.516 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 3 +ATOM 4373 C CD . GLU A 1 72 ? 18.354 -1.480 -3.311 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 3 +ATOM 4374 O OE1 . GLU A 1 72 ? 17.670 -2.370 -2.756 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 3 +ATOM 4375 O OE2 . GLU A 1 72 ? 19.540 -1.683 -3.682 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 3 +ATOM 4376 H H . GLU A 1 72 ? 15.156 1.014 -3.431 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 3 +ATOM 4377 H HA . GLU A 1 72 ? 17.237 2.144 -4.970 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 3 +ATOM 4378 H HB2 . GLU A 1 72 ? 16.225 -0.693 -4.864 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 3 +ATOM 4379 H HB3 . GLU A 1 72 ? 17.723 -0.185 -5.638 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 3 +ATOM 4380 H HG2 . GLU A 1 72 ? 18.560 0.610 -3.490 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 3 +ATOM 4381 H HG3 . GLU A 1 72 ? 17.069 0.093 -2.711 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 3 +ATOM 4382 N N . LYS A 1 73 ? 14.540 1.259 -6.549 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 3 +ATOM 4383 C CA . LYS A 1 73 ? 13.849 1.368 -7.833 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 3 +ATOM 4384 C C . LYS A 1 73 ? 13.052 2.662 -7.925 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 3 +ATOM 4385 O O . LYS A 1 73 ? 12.458 2.962 -8.960 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 3 +ATOM 4386 C CB . LYS A 1 73 ? 12.948 0.157 -8.100 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 3 +ATOM 4387 C CG . LYS A 1 73 ? 13.695 -1.157 -8.234 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 3 +ATOM 4388 C CD . LYS A 1 73 ? 12.748 -2.310 -8.528 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 3 +ATOM 4389 C CE . LYS A 1 73 ? 13.505 -3.616 -8.714 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 3 +ATOM 4390 N NZ . LYS A 1 73 ? 12.599 -4.740 -9.041 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 3 +ATOM 4391 H H . LYS A 1 73 ? 14.058 0.968 -5.748 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 3 +ATOM 4392 H HA . LYS A 1 73 ? 14.617 1.404 -8.591 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 3 +ATOM 4393 H HB2 . LYS A 1 73 ? 12.254 0.061 -7.280 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 3 +ATOM 4394 H HB3 . LYS A 1 73 ? 12.394 0.330 -9.012 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 3 +ATOM 4395 H HG2 . LYS A 1 73 ? 14.414 -1.076 -9.035 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 3 +ATOM 4396 H HG3 . LYS A 1 73 ? 14.210 -1.353 -7.305 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 3 +ATOM 4397 H HD2 . LYS A 1 73 ? 12.063 -2.420 -7.701 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 3 +ATOM 4398 H HD3 . LYS A 1 73 ? 12.189 -2.092 -9.425 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 3 +ATOM 4399 H HE2 . LYS A 1 73 ? 14.219 -3.496 -9.516 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 3 +ATOM 4400 H HE3 . LYS A 1 73 ? 14.033 -3.846 -7.801 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 3 +ATOM 4401 H HZ1 . LYS A 1 73 ? 12.082 -4.564 -9.925 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 3 +ATOM 4402 H HZ2 . LYS A 1 73 ? 11.905 -4.886 -8.281 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 3 +ATOM 4403 H HZ3 . LYS A 1 73 ? 13.156 -5.611 -9.158 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 3 +ATOM 4404 N N . VAL A 1 74 ? 13.060 3.425 -6.825 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 3 +ATOM 4405 C CA . VAL A 1 74 ? 12.385 4.737 -6.720 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 3 +ATOM 4406 C C . VAL A 1 74 ? 10.834 4.566 -6.860 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 3 +ATOM 4407 O O . VAL A 1 74 ? 10.092 5.498 -7.171 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 3 +ATOM 4408 C CB . VAL A 1 74 ? 12.968 5.765 -7.785 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 3 +ATOM 4409 C CG1 . VAL A 1 74 ? 12.447 7.186 -7.575 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 3 +ATOM 4410 C CG2 . VAL A 1 74 ? 14.495 5.774 -7.753 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 3 +ATOM 4411 H H . VAL A 1 74 ? 13.538 3.089 -6.041 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 3 +ATOM 4412 H HA . VAL A 1 74 ? 12.594 5.101 -5.724 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 3 +ATOM 4413 H HB . VAL A 1 74 ? 12.657 5.434 -8.765 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 3 +ATOM 4414 H HG11 . VAL A 1 74 ? 12.728 7.530 -6.590 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 3 +ATOM 4415 H HG12 . VAL A 1 74 ? 11.370 7.188 -7.666 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 3 +ATOM 4416 H HG13 . VAL A 1 74 ? 12.874 7.841 -8.321 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 3 +ATOM 4417 H HG21 . VAL A 1 74 ? 14.868 4.785 -7.976 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 3 +ATOM 4418 H HG22 . VAL A 1 74 ? 14.829 6.068 -6.768 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 3 +ATOM 4419 H HG23 . VAL A 1 74 ? 14.868 6.475 -8.485 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 3 +ATOM 4420 N N . VAL A 1 75 ? 10.347 3.398 -6.536 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 3 +ATOM 4421 C CA . VAL A 1 75 ? 8.939 3.120 -6.695 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 3 +ATOM 4422 C C . VAL A 1 75 ? 8.348 2.514 -5.427 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 3 +ATOM 4423 O O . VAL A 1 75 ? 8.979 1.717 -4.742 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 3 +ATOM 4424 C CB . VAL A 1 75 ? 8.659 2.205 -7.948 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 3 +ATOM 4425 C CG1 . VAL A 1 75 ? 9.358 0.862 -7.838 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 3 +ATOM 4426 C CG2 . VAL A 1 75 ? 7.162 2.008 -8.193 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 3 +ATOM 4427 H H . VAL A 1 75 ? 10.933 2.717 -6.141 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 3 +ATOM 4428 H HA . VAL A 1 75 ? 8.446 4.068 -6.857 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 3 +ATOM 4429 H HB . VAL A 1 75 ? 9.077 2.708 -8.809 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 3 +ATOM 4430 H HG11 . VAL A 1 75 ? 10.422 1.023 -7.775 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 3 +ATOM 4431 H HG12 . VAL A 1 75 ? 9.131 0.273 -8.715 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 3 +ATOM 4432 H HG13 . VAL A 1 75 ? 9.012 0.348 -6.953 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 3 +ATOM 4433 H HG21 . VAL A 1 75 ? 6.718 1.546 -7.324 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 3 +ATOM 4434 H HG22 . VAL A 1 75 ? 7.018 1.366 -9.049 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 3 +ATOM 4435 H HG23 . VAL A 1 75 ? 6.685 2.959 -8.374 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 3 +ATOM 4436 N N . VAL A 1 76 ? 7.182 2.951 -5.098 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 3 +ATOM 4437 C CA . VAL A 1 76 ? 6.426 2.439 -4.011 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 3 +ATOM 4438 C C . VAL A 1 76 ? 5.434 1.446 -4.590 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 3 +ATOM 4439 O O . VAL A 1 76 ? 4.583 1.804 -5.413 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 3 +ATOM 4440 C CB . VAL A 1 76 ? 5.687 3.573 -3.266 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 3 +ATOM 4441 C CG1 . VAL A 1 76 ? 4.867 3.022 -2.130 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 3 +ATOM 4442 C CG2 . VAL A 1 76 ? 6.676 4.601 -2.745 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 3 +ATOM 4443 H H . VAL A 1 76 ? 6.771 3.668 -5.628 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 3 +ATOM 4444 H HA . VAL A 1 76 ? 7.096 1.928 -3.333 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 3 +ATOM 4445 H HB . VAL A 1 76 ? 5.025 4.066 -3.961 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 3 +ATOM 4446 H HG11 . VAL A 1 76 ? 4.138 2.326 -2.516 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 3 +ATOM 4447 H HG12 . VAL A 1 76 ? 4.358 3.829 -1.624 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 3 +ATOM 4448 H HG13 . VAL A 1 76 ? 5.516 2.510 -1.435 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 3 +ATOM 4449 H HG21 . VAL A 1 76 ? 6.148 5.376 -2.210 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 3 +ATOM 4450 H HG22 . VAL A 1 76 ? 7.206 5.037 -3.579 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 3 +ATOM 4451 H HG23 . VAL A 1 76 ? 7.383 4.120 -2.087 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 3 +ATOM 4452 N N . PHE A 1 77 ? 5.566 0.226 -4.192 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 3 +ATOM 4453 C CA . PHE A 1 77 ? 4.804 -0.850 -4.753 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 3 +ATOM 4454 C C . PHE A 1 77 ? 3.751 -1.325 -3.763 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 3 +ATOM 4455 O O . PHE A 1 77 ? 4.086 -1.810 -2.679 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 3 +ATOM 4456 C CB . PHE A 1 77 ? 5.776 -1.984 -5.112 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 3 +ATOM 4457 C CG . PHE A 1 77 ? 5.172 -3.175 -5.795 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 3 +ATOM 4458 C CD1 . PHE A 1 77 ? 4.959 -3.167 -7.162 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 3 +ATOM 4459 C CD2 . PHE A 1 77 ? 4.849 -4.315 -5.077 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 3 +ATOM 4460 C CE1 . PHE A 1 77 ? 4.435 -4.269 -7.800 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 3 +ATOM 4461 C CE2 . PHE A 1 77 ? 4.319 -5.417 -5.708 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 3 +ATOM 4462 C CZ . PHE A 1 77 ? 4.114 -5.394 -7.073 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 3 +ATOM 4463 H H . PHE A 1 77 ? 6.194 0.034 -3.457 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 3 +ATOM 4464 H HA . PHE A 1 77 ? 4.330 -0.507 -5.659 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 3 +ATOM 4465 H HB2 . PHE A 1 77 ? 6.536 -1.591 -5.771 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 3 +ATOM 4466 H HB3 . PHE A 1 77 ? 6.254 -2.323 -4.205 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 3 +ATOM 4467 H HD1 . PHE A 1 77 ? 5.208 -2.282 -7.730 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 3 +ATOM 4468 H HD2 . PHE A 1 77 ? 5.011 -4.331 -4.009 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 3 +ATOM 4469 H HE1 . PHE A 1 77 ? 4.274 -4.252 -8.868 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 3 +ATOM 4470 H HE2 . PHE A 1 77 ? 4.068 -6.298 -5.136 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 3 +ATOM 4471 H HZ . PHE A 1 77 ? 3.701 -6.260 -7.570 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 3 +ATOM 4472 N N . VAL A 1 78 ? 2.493 -1.137 -4.111 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 3 +ATOM 4473 C CA . VAL A 1 78 ? 1.391 -1.616 -3.302 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 3 +ATOM 4474 C C . VAL A 1 78 ? 1.321 -3.120 -3.418 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 3 +ATOM 4475 O O . VAL A 1 78 ? 1.172 -3.668 -4.519 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 3 +ATOM 4476 C CB . VAL A 1 78 ? 0.036 -0.978 -3.714 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 3 +ATOM 4477 C CG1 . VAL A 1 78 ? -1.128 -1.546 -2.893 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 3 +ATOM 4478 C CG2 . VAL A 1 78 ? 0.104 0.539 -3.580 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 3 +ATOM 4479 H H . VAL A 1 78 ? 2.307 -0.654 -4.948 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 3 +ATOM 4480 H HA . VAL A 1 78 ? 1.610 -1.364 -2.275 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 3 +ATOM 4481 H HB . VAL A 1 78 ? -0.151 -1.217 -4.748 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 3 +ATOM 4482 H HG11 . VAL A 1 78 ? -0.942 -1.390 -1.841 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 3 +ATOM 4483 H HG12 . VAL A 1 78 ? -1.222 -2.604 -3.089 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 3 +ATOM 4484 H HG13 . VAL A 1 78 ? -2.048 -1.053 -3.173 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 3 +ATOM 4485 H HG21 . VAL A 1 78 ? -0.857 0.964 -3.830 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 3 +ATOM 4486 H HG22 . VAL A 1 78 ? 0.851 0.920 -4.261 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 3 +ATOM 4487 H HG23 . VAL A 1 78 ? 0.373 0.808 -2.570 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 3 +ATOM 4488 N N . ILE A 1 79 ? 1.425 -3.767 -2.295 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 3 +ATOM 4489 C CA . ILE A 1 79 ? 1.511 -5.200 -2.244 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 3 +ATOM 4490 C C . ILE A 1 79 ? 0.145 -5.802 -1.998 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 3 +ATOM 4491 O O . ILE A 1 79 ? -0.243 -6.790 -2.616 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 3 +ATOM 4492 C CB . ILE A 1 79 ? 2.421 -5.614 -1.068 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 3 +ATOM 4493 C CG1 . ILE A 1 79 ? 3.767 -4.910 -1.156 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 3 +ATOM 4494 C CG2 . ILE A 1 79 ? 2.619 -7.122 -1.045 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 3 +ATOM 4495 C CD1 . ILE A 1 79 ? 4.628 -5.135 0.052 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 3 +ATOM 4496 H H . ILE A 1 79 ? 1.437 -3.265 -1.450 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 3 +ATOM 4497 H HA . ILE A 1 79 ? 1.948 -5.579 -3.155 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 3 +ATOM 4498 H HB . ILE A 1 79 ? 1.937 -5.322 -0.147 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 3 +ATOM 4499 H HG12 . ILE A 1 79 ? 4.301 -5.283 -2.018 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 3 +ATOM 4500 H HG13 . ILE A 1 79 ? 3.610 -3.848 -1.267 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 3 +ATOM 4501 H HG21 . ILE A 1 79 ? 3.238 -7.392 -0.202 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 3 +ATOM 4502 H HG22 . ILE A 1 79 ? 3.103 -7.432 -1.960 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 3 +ATOM 4503 H HG23 . ILE A 1 79 ? 1.659 -7.611 -0.962 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 3 +ATOM 4504 H HD11 . ILE A 1 79 ? 5.587 -4.667 -0.103 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 3 +ATOM 4505 H HD12 . ILE A 1 79 ? 4.757 -6.198 0.193 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 3 +ATOM 4506 H HD13 . ILE A 1 79 ? 4.156 -4.715 0.927 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 3 +ATOM 4507 N N . SER A 1 80 ? -0.590 -5.206 -1.098 1.00 0.00 ? ? ? ? ? ? 77 SER A N 3 +ATOM 4508 C CA . SER A 1 80 ? -1.865 -5.737 -0.706 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 3 +ATOM 4509 C C . SER A 1 80 ? -2.784 -4.618 -0.277 1.00 0.00 ? ? ? ? ? ? 77 SER A C 3 +ATOM 4510 O O . SER A 1 80 ? -2.323 -3.575 0.209 1.00 0.00 ? ? ? ? ? ? 77 SER A O 3 +ATOM 4511 C CB . SER A 1 80 ? -1.667 -6.737 0.442 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 3 +ATOM 4512 O OG . SER A 1 80 ? -0.768 -7.766 0.056 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 3 +ATOM 4513 H H . SER A 1 80 ? -0.285 -4.374 -0.673 1.00 0.00 ? ? ? ? ? ? 77 SER A H 3 +ATOM 4514 H HA . SER A 1 80 ? -2.295 -6.260 -1.546 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 3 +ATOM 4515 H HB2 . SER A 1 80 ? -1.261 -6.222 1.300 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 3 +ATOM 4516 H HB3 . SER A 1 80 ? -2.617 -7.181 0.702 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 3 +ATOM 4517 H HG . SER A 1 80 ? -0.590 -7.663 -0.888 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 3 +ATOM 4518 N N . VAL A 1 81 ? -4.062 -4.816 -0.469 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 3 +ATOM 4519 C CA . VAL A 1 81 ? -5.044 -3.842 -0.103 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 3 +ATOM 4520 C C . VAL A 1 81 ? -6.335 -4.563 0.308 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 3 +ATOM 4521 O O . VAL A 1 81 ? -6.727 -5.572 -0.314 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 3 +ATOM 4522 C CB . VAL A 1 81 ? -5.282 -2.813 -1.263 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 3 +ATOM 4523 C CG1 . VAL A 1 81 ? -5.842 -3.464 -2.520 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 3 +ATOM 4524 C CG2 . VAL A 1 81 ? -6.146 -1.651 -0.815 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 3 +ATOM 4525 H H . VAL A 1 81 ? -4.392 -5.650 -0.866 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 3 +ATOM 4526 H HA . VAL A 1 81 ? -4.663 -3.318 0.762 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 3 +ATOM 4527 H HB . VAL A 1 81 ? -4.311 -2.422 -1.529 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 3 +ATOM 4528 H HG11 . VAL A 1 81 ? -6.788 -3.931 -2.287 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 3 +ATOM 4529 H HG12 . VAL A 1 81 ? -5.151 -4.212 -2.881 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 3 +ATOM 4530 H HG13 . VAL A 1 81 ? -5.989 -2.715 -3.283 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 3 +ATOM 4531 H HG21 . VAL A 1 81 ? -5.654 -1.142 0.001 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 3 +ATOM 4532 H HG22 . VAL A 1 81 ? -7.110 -2.014 -0.493 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 3 +ATOM 4533 H HG23 . VAL A 1 81 ? -6.264 -0.965 -1.641 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 3 +ATOM 4534 N N . GLY A 1 82 ? -6.935 -4.113 1.374 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 3 +ATOM 4535 C CA . GLY A 1 82 ? -8.142 -4.718 1.861 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 3 +ATOM 4536 C C . GLY A 1 82 ? -8.397 -4.344 3.293 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 3 +ATOM 4537 O O . GLY A 1 82 ? -8.298 -3.182 3.647 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 3 +ATOM 4538 H H . GLY A 1 82 ? -6.558 -3.349 1.872 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 3 +ATOM 4539 H HA2 . GLY A 1 82 ? -8.966 -4.368 1.257 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 3 +ATOM 4540 H HA3 . GLY A 1 82 ? -8.078 -5.791 1.779 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 3 +ATOM 4541 N N . LYS A 1 83 ? -8.670 -5.306 4.126 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 3 +ATOM 4542 C CA . LYS A 1 83 ? -9.012 -5.027 5.509 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 3 +ATOM 4543 C C . LYS A 1 83 ? -7.948 -5.549 6.446 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 3 +ATOM 4544 O O . LYS A 1 83 ? -7.096 -6.349 6.060 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 3 +ATOM 4545 C CB . LYS A 1 83 ? -10.335 -5.694 5.891 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 3 +ATOM 4546 C CG . LYS A 1 83 ? -11.500 -5.400 4.965 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 3 +ATOM 4547 C CD . LYS A 1 83 ? -12.814 -5.963 5.508 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 3 +ATOM 4548 C CE . LYS A 1 83 ? -12.750 -7.467 5.806 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 3 +ATOM 4549 N NZ . LYS A 1 83 ? -12.412 -8.282 4.617 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 3 +ATOM 4550 H H . LYS A 1 83 ? -8.611 -6.245 3.817 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 3 +ATOM 4551 H HA . LYS A 1 83 ? -9.118 -3.961 5.637 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 3 +ATOM 4552 H HB2 . LYS A 1 83 ? -10.181 -6.762 5.894 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 3 +ATOM 4553 H HB3 . LYS A 1 83 ? -10.608 -5.382 6.888 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 3 +ATOM 4554 H HG2 . LYS A 1 83 ? -11.596 -4.331 4.855 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 3 +ATOM 4555 H HG3 . LYS A 1 83 ? -11.300 -5.844 4.001 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 3 +ATOM 4556 H HD2 . LYS A 1 83 ? -13.057 -5.445 6.425 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 3 +ATOM 4557 H HD3 . LYS A 1 83 ? -13.594 -5.781 4.783 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 3 +ATOM 4558 H HE2 . LYS A 1 83 ? -11.997 -7.633 6.562 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 3 +ATOM 4559 H HE3 . LYS A 1 83 ? -13.711 -7.778 6.190 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 3 +ATOM 4560 H HZ1 . LYS A 1 83 ? -12.601 -9.282 4.819 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 3 +ATOM 4561 H HZ2 . LYS A 1 83 ? -11.389 -8.247 4.397 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 3 +ATOM 4562 H HZ3 . LYS A 1 83 ? -12.964 -7.999 3.784 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 3 +ATOM 4563 N N . ALA A 1 84 ? -8.005 -5.112 7.667 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 3 +ATOM 4564 C CA . ALA A 1 84 ? -7.157 -5.644 8.686 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 3 +ATOM 4565 C C . ALA A 1 84 ? -8.009 -6.022 9.855 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 3 +ATOM 4566 O O . ALA A 1 84 ? -8.067 -5.332 10.871 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 3 +ATOM 4567 C CB . ALA A 1 84 ? -6.031 -4.708 9.084 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 3 +ATOM 4568 H H . ALA A 1 84 ? -8.662 -4.419 7.902 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 3 +ATOM 4569 H HA . ALA A 1 84 ? -6.736 -6.556 8.286 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 3 +ATOM 4570 H HB1 . ALA A 1 84 ? -6.450 -3.813 9.519 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 3 +ATOM 4571 H HB2 . ALA A 1 84 ? -5.446 -4.450 8.214 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 3 +ATOM 4572 H HB3 . ALA A 1 84 ? -5.402 -5.199 9.813 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 3 +ATOM 4573 N N . GLU A 1 85 ? -8.761 -7.059 9.645 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 3 +ATOM 4574 C CA . GLU A 1 85 ? -9.643 -7.607 10.642 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 3 +ATOM 4575 C C . GLU A 1 85 ? -8.833 -8.335 11.699 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 3 +ATOM 4576 O O . GLU A 1 85 ? -9.090 -8.230 12.896 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 3 +ATOM 4577 C CB . GLU A 1 85 ? -10.732 -8.497 9.978 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 3 +ATOM 4578 C CG . GLU A 1 85 ? -10.329 -9.183 8.641 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 3 +ATOM 4579 C CD . GLU A 1 85 ? -9.157 -10.133 8.743 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 3 +ATOM 4580 O OE1 . GLU A 1 85 ? -7.993 -9.670 8.698 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 3 +ATOM 4581 O OE2 . GLU A 1 85 ? -9.377 -11.344 8.881 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 3 +ATOM 4582 H H . GLU A 1 85 ? -8.705 -7.507 8.775 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 3 +ATOM 4583 H HA . GLU A 1 85 ? -10.124 -6.767 11.123 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 3 +ATOM 4584 H HB2 . GLU A 1 85 ? -11.011 -9.272 10.674 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 3 +ATOM 4585 H HB3 . GLU A 1 85 ? -11.600 -7.882 9.787 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 3 +ATOM 4586 H HG2 . GLU A 1 85 ? -11.175 -9.749 8.281 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 3 +ATOM 4587 H HG3 . GLU A 1 85 ? -10.093 -8.417 7.917 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 3 +ATOM 4588 N N . ALA A 1 86 ? -7.846 -9.024 11.237 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 3 +ATOM 4589 C CA . ALA A 1 86 ? -6.903 -9.702 12.042 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 3 +ATOM 4590 C C . ALA A 1 86 ? -5.562 -9.619 11.346 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 3 +ATOM 4591 O O . ALA A 1 86 ? -4.673 -8.901 11.795 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 3 +ATOM 4592 C CB . ALA A 1 86 ? -7.318 -11.151 12.267 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 3 +ATOM 4593 H H . ALA A 1 86 ? -7.754 -9.097 10.256 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 3 +ATOM 4594 H HA . ALA A 1 86 ? -6.843 -9.197 12.995 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 3 +ATOM 4595 H HB1 . ALA A 1 86 ? -7.390 -11.657 11.315 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 3 +ATOM 4596 H HB2 . ALA A 1 86 ? -8.278 -11.178 12.762 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 3 +ATOM 4597 H HB3 . ALA A 1 86 ? -6.583 -11.647 12.883 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 3 +ATOM 4598 N N . SER A 1 87 ? -5.444 -10.278 10.198 1.00 0.00 ? ? ? ? ? ? 84 SER A N 3 +ATOM 4599 C CA . SER A 1 87 ? -4.180 -10.317 9.484 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 3 +ATOM 4600 C C . SER A 1 87 ? -4.384 -10.477 7.957 1.00 0.00 ? ? ? ? ? ? 84 SER A C 3 +ATOM 4601 O O . SER A 1 87 ? -3.460 -10.912 7.264 1.00 0.00 ? ? ? ? ? ? 84 SER A O 3 +ATOM 4602 C CB . SER A 1 87 ? -3.319 -11.489 10.019 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 3 +ATOM 4603 O OG . SER A 1 87 ? -3.117 -11.406 11.435 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 3 +ATOM 4604 H H . SER A 1 87 ? -6.219 -10.745 9.815 1.00 0.00 ? ? ? ? ? ? 84 SER A H 3 +ATOM 4605 H HA . SER A 1 87 ? -3.655 -9.396 9.685 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 3 +ATOM 4606 H HB2 . SER A 1 87 ? -3.811 -12.425 9.805 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 3 +ATOM 4607 H HB3 . SER A 1 87 ? -2.355 -11.475 9.531 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 3 +ATOM 4608 H HG . SER A 1 87 ? -2.752 -12.254 11.715 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 3 +ATOM 4609 N N . GLU A 1 88 ? -5.542 -10.029 7.424 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 3 +ATOM 4610 C CA . GLU A 1 88 ? -5.882 -10.216 5.987 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 3 +ATOM 4611 C C . GLU A 1 88 ? -4.811 -9.630 5.057 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 3 +ATOM 4612 O O . GLU A 1 88 ? -4.300 -10.324 4.169 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 3 +ATOM 4613 C CB . GLU A 1 88 ? -7.219 -9.530 5.661 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 3 +ATOM 4614 C CG . GLU A 1 88 ? -7.644 -9.665 4.207 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 3 +ATOM 4615 C CD . GLU A 1 88 ? -8.811 -8.789 3.836 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 3 +ATOM 4616 O OE1 . GLU A 1 88 ? -9.951 -9.087 4.221 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 3 +ATOM 4617 O OE2 . GLU A 1 88 ? -8.620 -7.811 3.096 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 3 +ATOM 4618 H H . GLU A 1 88 ? -6.228 -9.613 7.998 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 3 +ATOM 4619 H HA . GLU A 1 88 ? -5.984 -11.275 5.792 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 3 +ATOM 4620 H HB2 . GLU A 1 88 ? -7.993 -9.952 6.284 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 3 +ATOM 4621 H HB3 . GLU A 1 88 ? -7.128 -8.477 5.887 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 3 +ATOM 4622 H HG2 . GLU A 1 88 ? -6.808 -9.394 3.579 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 3 +ATOM 4623 H HG3 . GLU A 1 88 ? -7.909 -10.695 4.020 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 3 +ATOM 4624 N N . VAL A 1 89 ? -4.459 -8.379 5.278 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 3 +ATOM 4625 C CA . VAL A 1 89 ? -3.464 -7.720 4.440 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 3 +ATOM 4626 C C . VAL A 1 89 ? -2.042 -8.046 4.858 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 3 +ATOM 4627 O O . VAL A 1 89 ? -1.106 -7.750 4.143 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 3 +ATOM 4628 C CB . VAL A 1 89 ? -3.654 -6.182 4.384 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 3 +ATOM 4629 C CG1 . VAL A 1 89 ? -4.941 -5.832 3.667 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 3 +ATOM 4630 C CG2 . VAL A 1 89 ? -3.645 -5.575 5.784 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 3 +ATOM 4631 H H . VAL A 1 89 ? -4.910 -7.878 5.990 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 3 +ATOM 4632 H HA . VAL A 1 89 ? -3.604 -8.106 3.440 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 3 +ATOM 4633 H HB . VAL A 1 89 ? -2.831 -5.762 3.823 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 3 +ATOM 4634 H HG11 . VAL A 1 89 ? -5.776 -6.271 4.192 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 3 +ATOM 4635 H HG12 . VAL A 1 89 ? -4.910 -6.215 2.657 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 3 +ATOM 4636 H HG13 . VAL A 1 89 ? -5.059 -4.758 3.641 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 3 +ATOM 4637 H HG21 . VAL A 1 89 ? -4.457 -5.992 6.363 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 3 +ATOM 4638 H HG22 . VAL A 1 89 ? -3.762 -4.503 5.719 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 3 +ATOM 4639 H HG23 . VAL A 1 89 ? -2.707 -5.804 6.268 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 3 +ATOM 4640 N N . TYR A 1 90 ? -1.887 -8.681 5.994 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 3 +ATOM 4641 C CA . TYR A 1 90 ? -0.559 -8.978 6.502 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 3 +ATOM 4642 C C . TYR A 1 90 ? -0.030 -10.259 5.916 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 3 +ATOM 4643 O O . TYR A 1 90 ? 1.100 -10.300 5.417 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 3 +ATOM 4644 C CB . TYR A 1 90 ? -0.540 -9.032 8.024 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 3 +ATOM 4645 C CG . TYR A 1 90 ? -0.790 -7.699 8.686 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 3 +ATOM 4646 C CD1 . TYR A 1 90 ? -2.079 -7.235 8.901 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 3 +ATOM 4647 C CD2 . TYR A 1 90 ? 0.271 -6.907 9.103 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 3 +ATOM 4648 C CE1 . TYR A 1 90 ? -2.303 -6.023 9.513 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 3 +ATOM 4649 C CE2 . TYR A 1 90 ? 0.053 -5.692 9.714 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 3 +ATOM 4650 C CZ . TYR A 1 90 ? -1.236 -5.256 9.915 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 3 +ATOM 4651 O OH . TYR A 1 90 ? -1.462 -4.052 10.532 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 3 +ATOM 4652 H H . TYR A 1 90 ? -2.682 -8.982 6.481 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 3 +ATOM 4653 H HA . TYR A 1 90 ? 0.086 -8.175 6.178 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 3 +ATOM 4654 H HB2 . TYR A 1 90 ? -1.303 -9.718 8.360 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 3 +ATOM 4655 H HB3 . TYR A 1 90 ? 0.424 -9.393 8.353 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 3 +ATOM 4656 H HD1 . TYR A 1 90 ? -2.916 -7.835 8.580 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 3 +ATOM 4657 H HD2 . TYR A 1 90 ? 1.281 -7.255 8.943 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 3 +ATOM 4658 H HE1 . TYR A 1 90 ? -3.313 -5.678 9.673 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 3 +ATOM 4659 H HE2 . TYR A 1 90 ? 0.893 -5.089 10.027 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 3 +ATOM 4660 H HH . TYR A 1 90 ? -2.225 -4.175 11.111 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 3 +ATOM 4661 N N . SER A 1 91 ? -0.856 -11.291 5.927 1.00 0.00 ? ? ? ? ? ? 88 SER A N 3 +ATOM 4662 C CA . SER A 1 91 ? -0.466 -12.572 5.391 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 3 +ATOM 4663 C C . SER A 1 91 ? -0.273 -12.469 3.889 1.00 0.00 ? ? ? ? ? ? 88 SER A C 3 +ATOM 4664 O O . SER A 1 91 ? 0.645 -13.071 3.312 1.00 0.00 ? ? ? ? ? ? 88 SER A O 3 +ATOM 4665 C CB . SER A 1 91 ? -1.519 -13.621 5.739 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 3 +ATOM 4666 O OG . SER A 1 91 ? -2.811 -13.213 5.294 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 3 +ATOM 4667 H H . SER A 1 91 ? -1.760 -11.211 6.308 1.00 0.00 ? ? ? ? ? ? 88 SER A H 3 +ATOM 4668 H HA . SER A 1 91 ? 0.474 -12.852 5.839 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 3 +ATOM 4669 H HB2 . SER A 1 91 ? -1.267 -14.547 5.246 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 3 +ATOM 4670 H HB3 . SER A 1 91 ? -1.546 -13.771 6.808 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 3 +ATOM 4671 H HG . SER A 1 91 ? -2.885 -13.481 4.369 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 3 +ATOM 4672 N N . GLU A 1 92 ? -1.120 -11.664 3.279 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 3 +ATOM 4673 C CA . GLU A 1 92 ? -1.096 -11.446 1.865 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 3 +ATOM 4674 C C . GLU A 1 92 ? 0.206 -10.740 1.480 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 3 +ATOM 4675 O O . GLU A 1 92 ? 0.894 -11.147 0.534 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 3 +ATOM 4676 C CB . GLU A 1 92 ? -2.306 -10.603 1.464 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 3 +ATOM 4677 C CG . GLU A 1 92 ? -2.569 -10.570 -0.022 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 3 +ATOM 4678 C CD . GLU A 1 92 ? -2.915 -11.932 -0.558 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 3 +ATOM 4679 O OE1 . GLU A 1 92 ? -4.105 -12.289 -0.581 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 3 +ATOM 4680 O OE2 . GLU A 1 92 ? -2.015 -12.671 -0.987 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 3 +ATOM 4681 H H . GLU A 1 92 ? -1.795 -11.204 3.821 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 3 +ATOM 4682 H HA . GLU A 1 92 ? -1.150 -12.401 1.365 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 3 +ATOM 4683 H HB2 . GLU A 1 92 ? -3.183 -10.999 1.954 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 3 +ATOM 4684 H HB3 . GLU A 1 92 ? -2.144 -9.590 1.805 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 3 +ATOM 4685 H HG2 . GLU A 1 92 ? -3.392 -9.898 -0.219 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 3 +ATOM 4686 H HG3 . GLU A 1 92 ? -1.683 -10.214 -0.524 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 3 +ATOM 4687 N N . ALA A 1 93 ? 0.566 -9.728 2.258 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 3 +ATOM 4688 C CA . ALA A 1 93 ? 1.761 -8.955 2.012 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 3 +ATOM 4689 C C . ALA A 1 93 ? 3.013 -9.809 2.127 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 3 +ATOM 4690 O O . ALA A 1 93 ? 3.771 -9.929 1.168 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 3 +ATOM 4691 C CB . ALA A 1 93 ? 1.843 -7.759 2.945 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 3 +ATOM 4692 H H . ALA A 1 93 ? -0.008 -9.481 3.014 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 3 +ATOM 4693 H HA . ALA A 1 93 ? 1.696 -8.585 0.999 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 3 +ATOM 4694 H HB1 . ALA A 1 93 ? 1.940 -8.108 3.962 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 3 +ATOM 4695 H HB2 . ALA A 1 93 ? 0.944 -7.167 2.854 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 3 +ATOM 4696 H HB3 . ALA A 1 93 ? 2.702 -7.155 2.688 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 3 +ATOM 4697 N N . VAL A 1 94 ? 3.199 -10.459 3.271 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 3 +ATOM 4698 C CA . VAL A 1 94 ? 4.415 -11.235 3.507 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 3 +ATOM 4699 C C . VAL A 1 94 ? 4.594 -12.386 2.491 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 3 +ATOM 4700 O O . VAL A 1 94 ? 5.718 -12.656 2.042 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 3 +ATOM 4701 C CB . VAL A 1 94 ? 4.558 -11.716 4.994 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 3 +ATOM 4702 C CG1 . VAL A 1 94 ? 3.414 -12.610 5.422 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 3 +ATOM 4703 C CG2 . VAL A 1 94 ? 5.905 -12.394 5.238 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 3 +ATOM 4704 H H . VAL A 1 94 ? 2.500 -10.409 3.961 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 3 +ATOM 4705 H HA . VAL A 1 94 ? 5.221 -10.545 3.298 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 3 +ATOM 4706 H HB . VAL A 1 94 ? 4.514 -10.835 5.619 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 3 +ATOM 4707 H HG11 . VAL A 1 94 ? 3.382 -13.480 4.788 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 3 +ATOM 4708 H HG12 . VAL A 1 94 ? 2.484 -12.069 5.332 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 3 +ATOM 4709 H HG13 . VAL A 1 94 ? 3.561 -12.916 6.448 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 3 +ATOM 4710 H HG21 . VAL A 1 94 ? 5.973 -12.708 6.269 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 3 +ATOM 4711 H HG22 . VAL A 1 94 ? 6.704 -11.700 5.022 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 3 +ATOM 4712 H HG23 . VAL A 1 94 ? 5.992 -13.258 4.595 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 3 +ATOM 4713 N N . LYS A 1 95 ? 3.498 -13.017 2.072 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 3 +ATOM 4714 C CA . LYS A 1 95 ? 3.587 -14.079 1.069 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 3 +ATOM 4715 C C . LYS A 1 95 ? 3.794 -13.524 -0.339 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 3 +ATOM 4716 O O . LYS A 1 95 ? 4.166 -14.253 -1.253 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 3 +ATOM 4717 C CB . LYS A 1 95 ? 2.388 -15.048 1.099 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 3 +ATOM 4718 C CG . LYS A 1 95 ? 2.476 -16.194 2.127 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 3 +ATOM 4719 C CD . LYS A 1 95 ? 2.431 -15.733 3.568 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 3 +ATOM 4720 C CE . LYS A 1 95 ? 2.469 -16.920 4.519 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 3 +ATOM 4721 N NZ . LYS A 1 95 ? 2.226 -16.517 5.916 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 3 +ATOM 4722 H H . LYS A 1 95 ? 2.620 -12.768 2.437 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 3 +ATOM 4723 H HA . LYS A 1 95 ? 4.480 -14.637 1.306 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 3 +ATOM 4724 H HB2 . LYS A 1 95 ? 1.498 -14.480 1.320 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 3 +ATOM 4725 H HB3 . LYS A 1 95 ? 2.279 -15.482 0.117 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 3 +ATOM 4726 H HG2 . LYS A 1 95 ? 1.647 -16.866 1.972 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 3 +ATOM 4727 H HG3 . LYS A 1 95 ? 3.397 -16.733 1.959 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 3 +ATOM 4728 H HD2 . LYS A 1 95 ? 3.302 -15.121 3.743 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 3 +ATOM 4729 H HD3 . LYS A 1 95 ? 1.534 -15.159 3.741 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 3 +ATOM 4730 H HE2 . LYS A 1 95 ? 1.714 -17.633 4.223 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 3 +ATOM 4731 H HE3 . LYS A 1 95 ? 3.441 -17.386 4.451 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 3 +ATOM 4732 H HZ1 . LYS A 1 95 ? 2.921 -15.822 6.253 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 3 +ATOM 4733 H HZ2 . LYS A 1 95 ? 2.273 -17.337 6.552 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 3 +ATOM 4734 H HZ3 . LYS A 1 95 ? 1.278 -16.102 6.020 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 3 +ATOM 4735 N N . ARG A 1 96 ? 3.558 -12.241 -0.520 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 3 +ATOM 4736 C CA . ARG A 1 96 ? 3.753 -11.628 -1.819 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 3 +ATOM 4737 C C . ARG A 1 96 ? 5.179 -11.131 -1.956 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 3 +ATOM 4738 O O . ARG A 1 96 ? 5.734 -11.105 -3.055 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 3 +ATOM 4739 C CB . ARG A 1 96 ? 2.730 -10.503 -2.068 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 3 +ATOM 4740 C CG . ARG A 1 96 ? 2.786 -9.804 -3.447 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 3 +ATOM 4741 C CD . ARG A 1 96 ? 2.518 -10.753 -4.624 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 3 +ATOM 4742 N NE . ARG A 1 96 ? 3.631 -11.692 -4.874 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 3 +ATOM 4743 C CZ . ARG A 1 96 ? 3.555 -12.793 -5.641 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 3 +ATOM 4744 N NH1 . ARG A 1 96 ? 2.436 -13.074 -6.298 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 3 +ATOM 4745 N NH2 . ARG A 1 96 ? 4.607 -13.606 -5.761 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 3 +ATOM 4746 H H . ARG A 1 96 ? 3.242 -11.690 0.230 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 3 +ATOM 4747 H HA . ARG A 1 96 ? 3.620 -12.395 -2.560 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 3 +ATOM 4748 H HB2 . ARG A 1 96 ? 1.737 -10.909 -1.953 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 3 +ATOM 4749 H HB3 . ARG A 1 96 ? 2.876 -9.751 -1.306 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 3 +ATOM 4750 H HG2 . ARG A 1 96 ? 2.043 -9.022 -3.471 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 3 +ATOM 4751 H HG3 . ARG A 1 96 ? 3.766 -9.364 -3.566 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 3 +ATOM 4752 H HD2 . ARG A 1 96 ? 1.629 -11.326 -4.408 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 3 +ATOM 4753 H HD3 . ARG A 1 96 ? 2.351 -10.164 -5.513 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 3 +ATOM 4754 H HE . ARG A 1 96 ? 4.476 -11.460 -4.422 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 3 +ATOM 4755 H HH11 . ARG A 1 96 ? 1.612 -12.501 -6.263 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 3 +ATOM 4756 H HH12 . ARG A 1 96 ? 2.377 -13.902 -6.863 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 3 +ATOM 4757 H HH21 . ARG A 1 96 ? 5.492 -13.460 -5.305 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 3 +ATOM 4758 H HH22 . ARG A 1 96 ? 4.548 -14.429 -6.336 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 3 +ATOM 4759 N N . ILE A 1 97 ? 5.777 -10.792 -0.849 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 3 +ATOM 4760 C CA . ILE A 1 97 ? 7.134 -10.283 -0.841 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 3 +ATOM 4761 C C . ILE A 1 97 ? 8.143 -11.427 -0.882 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 3 +ATOM 4762 O O . ILE A 1 97 ? 9.046 -11.430 -1.722 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 3 +ATOM 4763 C CB . ILE A 1 97 ? 7.397 -9.428 0.405 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 3 +ATOM 4764 C CG1 . ILE A 1 97 ? 6.354 -8.341 0.511 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 3 +ATOM 4765 C CG2 . ILE A 1 97 ? 8.788 -8.798 0.331 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 3 +ATOM 4766 C CD1 . ILE A 1 97 ? 6.369 -7.650 1.833 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 3 +ATOM 4767 H H . ILE A 1 97 ? 5.279 -10.866 -0.005 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 3 +ATOM 4768 H HA . ILE A 1 97 ? 7.264 -9.666 -1.717 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 3 +ATOM 4769 H HB . ILE A 1 97 ? 7.333 -10.058 1.279 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 3 +ATOM 4770 H HG12 . ILE A 1 97 ? 6.538 -7.601 -0.254 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 3 +ATOM 4771 H HG13 . ILE A 1 97 ? 5.375 -8.772 0.365 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 3 +ATOM 4772 H HG21 . ILE A 1 97 ? 8.961 -8.213 1.223 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 3 +ATOM 4773 H HG22 . ILE A 1 97 ? 8.848 -8.158 -0.535 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 3 +ATOM 4774 H HG23 . ILE A 1 97 ? 9.536 -9.574 0.259 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 3 +ATOM 4775 H HD11 . ILE A 1 97 ? 6.197 -8.402 2.589 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 3 +ATOM 4776 H HD12 . ILE A 1 97 ? 5.574 -6.922 1.864 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 3 +ATOM 4777 H HD13 . ILE A 1 97 ? 7.326 -7.179 1.996 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 3 +ATOM 4778 N N . LEU A 1 98 ? 8.007 -12.382 0.014 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 3 +ATOM 4779 C CA . LEU A 1 98 ? 8.935 -13.496 0.047 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 3 +ATOM 4780 C C . LEU A 1 98 ? 8.250 -14.751 -0.472 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 3 +ATOM 4781 O O . LEU A 1 98 ? 7.860 -15.620 0.340 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 3 +ATOM 4782 C CB . LEU A 1 98 ? 9.525 -13.756 1.466 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 3 +ATOM 4783 C CG . LEU A 1 98 ? 10.389 -12.656 2.129 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 3 +ATOM 4784 C CD1 . LEU A 1 98 ? 9.547 -11.504 2.650 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 3 +ATOM 4785 C CD2 . LEU A 1 98 ? 11.235 -13.244 3.245 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 3 +ATOM 4786 O OXT . LEU A 1 98 ? 8.052 -14.858 -1.701 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 3 +ATOM 4787 H H . LEU A 1 98 ? 7.263 -12.368 0.654 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 3 +ATOM 4788 H HA . LEU A 1 98 ? 9.741 -13.254 -0.631 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 3 +ATOM 4789 H HB2 . LEU A 1 98 ? 8.704 -13.961 2.136 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 3 +ATOM 4790 H HB3 . LEU A 1 98 ? 10.127 -14.650 1.399 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 3 +ATOM 4791 H HG . LEU A 1 98 ? 11.059 -12.252 1.384 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 3 +ATOM 4792 H HD11 . LEU A 1 98 ? 8.851 -11.867 3.392 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 3 +ATOM 4793 H HD12 . LEU A 1 98 ? 9.000 -11.069 1.828 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 3 +ATOM 4794 H HD13 . LEU A 1 98 ? 10.191 -10.757 3.090 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 3 +ATOM 4795 H HD21 . LEU A 1 98 ? 10.594 -13.672 4.001 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 3 +ATOM 4796 H HD22 . LEU A 1 98 ? 11.836 -12.464 3.689 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 3 +ATOM 4797 H HD23 . LEU A 1 98 ? 11.881 -14.011 2.844 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 3 +ATOM 4798 N N . MET A 1 4 ? 11.419 14.430 -1.594 1.00 0.00 ? ? ? ? ? ? 1 MET A N 4 +ATOM 4799 C CA . MET A 1 4 ? 11.224 14.102 -3.010 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 4 +ATOM 4800 C C . MET A 1 4 ? 10.043 13.170 -3.120 1.00 0.00 ? ? ? ? ? ? 1 MET A C 4 +ATOM 4801 O O . MET A 1 4 ? 9.859 12.320 -2.260 1.00 0.00 ? ? ? ? ? ? 1 MET A O 4 +ATOM 4802 C CB . MET A 1 4 ? 12.479 13.426 -3.570 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 4 +ATOM 4803 C CG . MET A 1 4 ? 12.403 13.047 -5.044 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 4 +ATOM 4804 S SD . MET A 1 4 ? 13.925 12.281 -5.654 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 4 +ATOM 4805 C CE . MET A 1 4 ? 14.058 10.844 -4.582 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 4 +ATOM 4806 H H . MET A 1 4 ? 11.586 13.554 -1.061 1.00 0.00 ? ? ? ? ? ? 1 MET A H 4 +ATOM 4807 H HA . MET A 1 4 ? 11.017 15.010 -3.557 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 4 +ATOM 4808 H HB2 . MET A 1 4 ? 13.324 14.085 -3.437 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 4 +ATOM 4809 H HB3 . MET A 1 4 ? 12.635 12.522 -3.000 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 4 +ATOM 4810 H HG2 . MET A 1 4 ? 11.588 12.354 -5.183 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 4 +ATOM 4811 H HG3 . MET A 1 4 ? 12.212 13.941 -5.620 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 4 +ATOM 4812 H HE1 . MET A 1 4 ? 14.159 11.166 -3.557 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 4 +ATOM 4813 H HE2 . MET A 1 4 ? 14.922 10.262 -4.866 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 4 +ATOM 4814 H HE3 . MET A 1 4 ? 13.170 10.240 -4.683 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 4 +ATOM 4815 N N . ALA A 1 5 ? 9.257 13.316 -4.163 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 4 +ATOM 4816 C CA . ALA A 1 5 ? 8.072 12.503 -4.326 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 4 +ATOM 4817 C C . ALA A 1 5 ? 8.394 11.218 -5.056 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 4 +ATOM 4818 O O . ALA A 1 5 ? 9.142 11.212 -6.041 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 4 +ATOM 4819 C CB . ALA A 1 5 ? 6.969 13.263 -5.040 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 4 +ATOM 4820 H H . ALA A 1 5 ? 9.499 13.954 -4.869 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 4 +ATOM 4821 H HA . ALA A 1 5 ? 7.722 12.248 -3.336 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 4 +ATOM 4822 H HB1 . ALA A 1 5 ? 6.080 12.648 -5.062 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 4 +ATOM 4823 H HB2 . ALA A 1 5 ? 7.280 13.483 -6.051 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 4 +ATOM 4824 H HB3 . ALA A 1 5 ? 6.760 14.182 -4.513 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 4 +ATOM 4825 N N . TYR A 1 6 ? 7.865 10.146 -4.554 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 4 +ATOM 4826 C CA . TYR A 1 6 ? 8.059 8.836 -5.125 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 4 +ATOM 4827 C C . TYR A 1 6 ? 6.924 8.492 -6.080 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 4 +ATOM 4828 O O . TYR A 1 6 ? 5.919 9.218 -6.161 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 4 +ATOM 4829 C CB . TYR A 1 6 ? 8.169 7.774 -4.012 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 4 +ATOM 4830 C CG . TYR A 1 6 ? 9.459 7.826 -3.199 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 4 +ATOM 4831 C CD1 . TYR A 1 6 ? 9.867 8.984 -2.550 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 4 +ATOM 4832 C CD2 . TYR A 1 6 ? 10.259 6.700 -3.076 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 4 +ATOM 4833 C CE1 . TYR A 1 6 ? 11.028 9.019 -1.810 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 4 +ATOM 4834 C CE2 . TYR A 1 6 ? 11.423 6.726 -2.336 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 4 +ATOM 4835 C CZ . TYR A 1 6 ? 11.803 7.886 -1.707 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 4 +ATOM 4836 O OH . TYR A 1 6 ? 12.969 7.913 -0.966 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 4 +ATOM 4837 H H . TYR A 1 6 ? 7.320 10.240 -3.741 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 4 +ATOM 4838 H HA . TYR A 1 6 ? 8.987 8.851 -5.677 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 4 +ATOM 4839 H HB2 . TYR A 1 6 ? 7.347 7.902 -3.324 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 4 +ATOM 4840 H HB3 . TYR A 1 6 ? 8.097 6.795 -4.463 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 4 +ATOM 4841 H HD1 . TYR A 1 6 ? 9.258 9.872 -2.635 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 4 +ATOM 4842 H HD2 . TYR A 1 6 ? 9.960 5.788 -3.573 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 4 +ATOM 4843 H HE1 . TYR A 1 6 ? 11.320 9.933 -1.314 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 4 +ATOM 4844 H HE2 . TYR A 1 6 ? 12.031 5.838 -2.254 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 4 +ATOM 4845 H HH . TYR A 1 6 ? 13.645 7.493 -1.515 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 4 +ATOM 4846 N N . PHE A 1 7 ? 7.098 7.420 -6.811 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 4 +ATOM 4847 C CA . PHE A 1 7 ? 6.089 6.928 -7.735 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 4 +ATOM 4848 C C . PHE A 1 7 ? 5.226 5.902 -7.020 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 4 +ATOM 4849 O O . PHE A 1 7 ? 5.625 5.393 -5.986 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 4 +ATOM 4850 C CB . PHE A 1 7 ? 6.757 6.290 -8.961 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 4 +ATOM 4851 C CG . PHE A 1 7 ? 7.612 7.237 -9.750 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 4 +ATOM 4852 C CD1 . PHE A 1 7 ? 7.037 8.182 -10.577 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 4 +ATOM 4853 C CD2 . PHE A 1 7 ? 8.996 7.179 -9.665 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 4 +ATOM 4854 C CE1 . PHE A 1 7 ? 7.819 9.054 -11.304 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 4 +ATOM 4855 C CE2 . PHE A 1 7 ? 9.783 8.047 -10.390 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 4 +ATOM 4856 C CZ . PHE A 1 7 ? 9.194 8.986 -11.209 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 4 +ATOM 4857 H H . PHE A 1 7 ? 7.946 6.929 -6.727 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 4 +ATOM 4858 H HA . PHE A 1 7 ? 5.474 7.760 -8.049 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 4 +ATOM 4859 H HB2 . PHE A 1 7 ? 7.402 5.496 -8.615 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 4 +ATOM 4860 H HB3 . PHE A 1 7 ? 6.011 5.868 -9.616 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 4 +ATOM 4861 H HD1 . PHE A 1 7 ? 5.960 8.235 -10.649 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 4 +ATOM 4862 H HD2 . PHE A 1 7 ? 9.458 6.444 -9.022 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 4 +ATOM 4863 H HE1 . PHE A 1 7 ? 7.354 9.788 -11.946 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 4 +ATOM 4864 H HE2 . PHE A 1 7 ? 10.859 7.995 -10.316 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 4 +ATOM 4865 H HZ . PHE A 1 7 ? 9.810 9.668 -11.776 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 4 +ATOM 4866 N N . LEU A 1 8 ? 4.064 5.608 -7.545 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 4 +ATOM 4867 C CA . LEU A 1 8 ? 3.174 4.645 -6.918 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 4 +ATOM 4868 C C . LEU A 1 8 ? 2.793 3.581 -7.959 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 4 +ATOM 4869 O O . LEU A 1 8 ? 2.331 3.919 -9.047 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 4 +ATOM 4870 C CB . LEU A 1 8 ? 1.911 5.388 -6.394 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 4 +ATOM 4871 C CG . LEU A 1 8 ? 1.040 4.719 -5.285 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 4 +ATOM 4872 C CD1 . LEU A 1 8 ? 0.471 3.384 -5.694 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 4 +ATOM 4873 C CD2 . LEU A 1 8 ? 1.803 4.588 -3.984 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 4 +ATOM 4874 H H . LEU A 1 8 ? 3.781 6.030 -8.385 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 4 +ATOM 4875 H HA . LEU A 1 8 ? 3.691 4.181 -6.092 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 4 +ATOM 4876 H HB2 . LEU A 1 8 ? 2.240 6.342 -6.014 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 4 +ATOM 4877 H HB3 . LEU A 1 8 ? 1.277 5.576 -7.249 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 4 +ATOM 4878 H HG . LEU A 1 8 ? 0.195 5.366 -5.099 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 4 +ATOM 4879 H HD11 . LEU A 1 8 ? -0.079 2.975 -4.859 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 4 +ATOM 4880 H HD12 . LEU A 1 8 ? 1.276 2.714 -5.954 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 4 +ATOM 4881 H HD13 . LEU A 1 8 ? -0.195 3.511 -6.535 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 4 +ATOM 4882 H HD21 . LEU A 1 8 ? 2.084 5.564 -3.624 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 4 +ATOM 4883 H HD22 . LEU A 1 8 ? 2.686 3.988 -4.143 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 4 +ATOM 4884 H HD23 . LEU A 1 8 ? 1.172 4.104 -3.253 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 4 +ATOM 4885 N N . ASP A 1 9 ? 3.018 2.331 -7.648 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 4 +ATOM 4886 C CA . ASP A 1 9 ? 2.630 1.228 -8.528 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 4 +ATOM 4887 C C . ASP A 1 9 ? 1.875 0.213 -7.712 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 4 +ATOM 4888 O O . ASP A 1 9 ? 2.086 0.094 -6.503 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 4 +ATOM 4889 C CB . ASP A 1 9 ? 3.850 0.563 -9.186 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 4 +ATOM 4890 C CG . ASP A 1 9 ? 3.493 -0.532 -10.202 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 4 +ATOM 4891 O OD1 . ASP A 1 9 ? 2.747 -0.254 -11.172 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 4 +ATOM 4892 O OD2 . ASP A 1 9 ? 3.999 -1.674 -10.084 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 4 +ATOM 4893 H H . ASP A 1 9 ? 3.445 2.108 -6.788 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 4 +ATOM 4894 H HA . ASP A 1 9 ? 1.976 1.623 -9.291 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 4 +ATOM 4895 H HB2 . ASP A 1 9 ? 4.484 1.296 -9.660 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 4 +ATOM 4896 H HB3 . ASP A 1 9 ? 4.379 0.083 -8.379 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 4 +ATOM 4897 N N . PHE A 1 10 ? 1.008 -0.489 -8.343 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 4 +ATOM 4898 C CA . PHE A 1 10 ? 0.199 -1.479 -7.683 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 4 +ATOM 4899 C C . PHE A 1 10 ? 0.489 -2.819 -8.302 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 4 +ATOM 4900 O O . PHE A 1 10 ? 0.579 -2.921 -9.538 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 4 +ATOM 4901 C CB . PHE A 1 10 ? -1.300 -1.202 -7.887 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 4 +ATOM 4902 C CG . PHE A 1 10 ? -1.829 0.124 -7.402 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 4 +ATOM 4903 C CD1 . PHE A 1 10 ? -1.854 1.227 -8.247 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 4 +ATOM 4904 C CD2 . PHE A 1 10 ? -2.341 0.253 -6.126 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 4 +ATOM 4905 C CE1 . PHE A 1 10 ? -2.369 2.434 -7.818 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 4 +ATOM 4906 C CE2 . PHE A 1 10 ? -2.863 1.457 -5.693 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 4 +ATOM 4907 C CZ . PHE A 1 10 ? -2.877 2.549 -6.540 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 4 +ATOM 4908 H H . PHE A 1 10 ? 0.939 -0.366 -9.313 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 4 +ATOM 4909 H HA . PHE A 1 10 ? 0.420 -1.486 -6.628 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 4 +ATOM 4910 H HB2 . PHE A 1 10 ? -1.507 -1.251 -8.944 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 4 +ATOM 4911 H HB3 . PHE A 1 10 ? -1.858 -1.985 -7.393 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 4 +ATOM 4912 H HD1 . PHE A 1 10 ? -1.457 1.138 -9.246 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 4 +ATOM 4913 H HD2 . PHE A 1 10 ? -2.328 -0.597 -5.461 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 4 +ATOM 4914 H HE1 . PHE A 1 10 ? -2.379 3.285 -8.483 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 4 +ATOM 4915 H HE2 . PHE A 1 10 ? -3.261 1.546 -4.693 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 4 +ATOM 4916 H HZ . PHE A 1 10 ? -3.283 3.490 -6.201 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 4 +ATOM 4917 N N . ASP A 1 11 ? 0.655 -3.836 -7.482 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 4 +ATOM 4918 C CA . ASP A 1 11 ? 0.775 -5.187 -8.004 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 4 +ATOM 4919 C C . ASP A 1 11 ? -0.599 -5.578 -8.503 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 4 +ATOM 4920 O O . ASP A 1 11 ? -1.599 -5.036 -8.007 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 4 +ATOM 4921 C CB . ASP A 1 11 ? 1.232 -6.176 -6.921 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 4 +ATOM 4922 C CG . ASP A 1 11 ? 1.511 -7.561 -7.482 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 4 +ATOM 4923 O OD1 . ASP A 1 11 ? 0.597 -8.393 -7.540 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 4 +ATOM 4924 O OD2 . ASP A 1 11 ? 2.663 -7.834 -7.898 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 4 +ATOM 4925 H H . ASP A 1 11 ? 0.700 -3.684 -6.511 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 4 +ATOM 4926 H HA . ASP A 1 11 ? 1.474 -5.175 -8.826 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 4 +ATOM 4927 H HB2 . ASP A 1 11 ? 2.139 -5.806 -6.463 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 4 +ATOM 4928 H HB3 . ASP A 1 11 ? 0.462 -6.258 -6.168 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 4 +ATOM 4929 N N . GLU A 1 12 ? -0.683 -6.483 -9.454 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 4 +ATOM 4930 C CA . GLU A 1 12 ? -1.967 -6.852 -10.005 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 4 +ATOM 4931 C C . GLU A 1 12 ? -2.921 -7.395 -8.935 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 4 +ATOM 4932 O O . GLU A 1 12 ? -4.117 -7.157 -9.018 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 4 +ATOM 4933 C CB . GLU A 1 12 ? -1.843 -7.813 -11.171 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 4 +ATOM 4934 C CG . GLU A 1 12 ? -1.297 -9.162 -10.811 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 4 +ATOM 4935 C CD . GLU A 1 12 ? -1.283 -10.076 -11.980 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 4 +ATOM 4936 O OE1 . GLU A 1 12 ? -2.367 -10.558 -12.386 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 4 +ATOM 4937 O OE2 . GLU A 1 12 ? -0.192 -10.351 -12.501 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 4 +ATOM 4938 H H . GLU A 1 12 ? 0.135 -6.907 -9.794 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 4 +ATOM 4939 H HA . GLU A 1 12 ? -2.401 -5.931 -10.365 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 4 +ATOM 4940 H HB2 . GLU A 1 12 ? -2.820 -7.953 -11.608 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 4 +ATOM 4941 H HB3 . GLU A 1 12 ? -1.193 -7.369 -11.909 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 4 +ATOM 4942 H HG2 . GLU A 1 12 ? -0.287 -9.049 -10.447 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 4 +ATOM 4943 H HG3 . GLU A 1 12 ? -1.917 -9.592 -10.038 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 4 +ATOM 4944 N N . ARG A 1 13 ? -2.389 -8.079 -7.902 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 4 +ATOM 4945 C CA . ARG A 1 13 ? -3.248 -8.553 -6.811 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 4 +ATOM 4946 C C . ARG A 1 13 ? -3.885 -7.378 -6.099 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 4 +ATOM 4947 O O . ARG A 1 13 ? -5.070 -7.406 -5.776 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 4 +ATOM 4948 C CB . ARG A 1 13 ? -2.525 -9.468 -5.801 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 4 +ATOM 4949 C CG . ARG A 1 13 ? -1.219 -8.931 -5.245 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 4 +ATOM 4950 C CD . ARG A 1 13 ? -0.734 -9.750 -4.064 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 4 +ATOM 4951 N NE . ARG A 1 13 ? -1.427 -9.358 -2.832 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 4 +ATOM 4952 C CZ . ARG A 1 13 ? -2.151 -10.151 -2.032 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 4 +ATOM 4953 N NH1 . ARG A 1 13 ? -2.472 -11.396 -2.404 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 4 +ATOM 4954 N NH2 . ARG A 1 13 ? -2.583 -9.677 -0.868 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 4 +ATOM 4955 H H . ARG A 1 13 ? -1.417 -8.247 -7.891 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 4 +ATOM 4956 H HA . ARG A 1 13 ? -4.046 -9.106 -7.284 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 4 +ATOM 4957 H HB2 . ARG A 1 13 ? -3.184 -9.650 -4.965 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 4 +ATOM 4958 H HB3 . ARG A 1 13 ? -2.322 -10.412 -6.286 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 4 +ATOM 4959 H HG2 . ARG A 1 13 ? -0.469 -8.959 -6.021 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 4 +ATOM 4960 H HG3 . ARG A 1 13 ? -1.370 -7.910 -4.928 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 4 +ATOM 4961 H HD2 . ARG A 1 13 ? -0.913 -10.795 -4.260 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 4 +ATOM 4962 H HD3 . ARG A 1 13 ? 0.325 -9.585 -3.936 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 4 +ATOM 4963 H HE . ARG A 1 13 ? -1.275 -8.411 -2.589 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 4 +ATOM 4964 H HH11 . ARG A 1 13 ? -2.196 -11.796 -3.285 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 4 +ATOM 4965 H HH12 . ARG A 1 13 ? -3.020 -11.993 -1.812 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 4 +ATOM 4966 H HH21 . ARG A 1 13 ? -2.380 -8.741 -0.563 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 4 +ATOM 4967 H HH22 . ARG A 1 13 ? -3.123 -10.236 -0.216 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 4 +ATOM 4968 N N . ALA A 1 14 ? -3.106 -6.324 -5.929 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 4 +ATOM 4969 C CA . ALA A 1 14 ? -3.563 -5.126 -5.287 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 4 +ATOM 4970 C C . ALA A 1 14 ? -4.606 -4.441 -6.146 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 4 +ATOM 4971 O O . ALA A 1 14 ? -5.577 -3.959 -5.640 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 4 +ATOM 4972 C CB . ALA A 1 14 ? -2.404 -4.188 -4.991 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 4 +ATOM 4973 H H . ALA A 1 14 ? -2.194 -6.344 -6.286 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 4 +ATOM 4974 H HA . ALA A 1 14 ? -4.023 -5.410 -4.352 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 4 +ATOM 4975 H HB1 . ALA A 1 14 ? -1.683 -4.691 -4.364 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 4 +ATOM 4976 H HB2 . ALA A 1 14 ? -2.770 -3.307 -4.487 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 4 +ATOM 4977 H HB3 . ALA A 1 14 ? -1.932 -3.899 -5.918 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 4 +ATOM 4978 N N . LEU A 1 15 ? -4.404 -4.456 -7.464 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 4 +ATOM 4979 C CA . LEU A 1 15 ? -5.326 -3.833 -8.407 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 4 +ATOM 4980 C C . LEU A 1 15 ? -6.684 -4.486 -8.375 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 4 +ATOM 4981 O O . LEU A 1 15 ? -7.707 -3.808 -8.367 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 4 +ATOM 4982 C CB . LEU A 1 15 ? -4.767 -3.878 -9.822 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 4 +ATOM 4983 C CG . LEU A 1 15 ? -3.627 -2.922 -10.127 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 4 +ATOM 4984 C CD1 . LEU A 1 15 ? -3.083 -3.183 -11.521 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 4 +ATOM 4985 C CD2 . LEU A 1 15 ? -4.118 -1.479 -10.014 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 4 +ATOM 4986 H H . LEU A 1 15 ? -3.609 -4.906 -7.825 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 4 +ATOM 4987 H HA . LEU A 1 15 ? -5.439 -2.799 -8.118 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 4 +ATOM 4988 H HB2 . LEU A 1 15 ? -4.422 -4.885 -10.007 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 4 +ATOM 4989 H HB3 . LEU A 1 15 ? -5.579 -3.669 -10.499 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 4 +ATOM 4990 H HG . LEU A 1 15 ? -2.834 -3.068 -9.411 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 4 +ATOM 4991 H HD11 . LEU A 1 15 ? -2.744 -4.205 -11.595 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 4 +ATOM 4992 H HD12 . LEU A 1 15 ? -2.250 -2.520 -11.707 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 4 +ATOM 4993 H HD13 . LEU A 1 15 ? -3.856 -3.004 -12.253 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 4 +ATOM 4994 H HD21 . LEU A 1 15 ? -3.322 -0.802 -10.284 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 4 +ATOM 4995 H HD22 . LEU A 1 15 ? -4.423 -1.272 -8.997 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 4 +ATOM 4996 H HD23 . LEU A 1 15 ? -4.960 -1.325 -10.672 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 4 +ATOM 4997 N N . LYS A 1 16 ? -6.686 -5.794 -8.336 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 4 +ATOM 4998 C CA . LYS A 1 16 ? -7.912 -6.566 -8.309 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 4 +ATOM 4999 C C . LYS A 1 16 ? -8.697 -6.255 -7.036 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 4 +ATOM 5000 O O . LYS A 1 16 ? -9.907 -5.999 -7.086 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 4 +ATOM 5001 C CB . LYS A 1 16 ? -7.560 -8.048 -8.408 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 4 +ATOM 5002 C CG . LYS A 1 16 ? -6.830 -8.379 -9.701 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 4 +ATOM 5003 C CD . LYS A 1 16 ? -6.130 -9.722 -9.641 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 4 +ATOM 5004 C CE . LYS A 1 16 ? -5.298 -9.944 -10.898 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 4 +ATOM 5005 N NZ . LYS A 1 16 ? -4.546 -11.219 -10.880 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 4 +ATOM 5006 H H . LYS A 1 16 ? -5.822 -6.264 -8.331 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 4 +ATOM 5007 H HA . LYS A 1 16 ? -8.504 -6.285 -9.167 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 4 +ATOM 5008 H HB2 . LYS A 1 16 ? -6.930 -8.315 -7.573 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 4 +ATOM 5009 H HB3 . LYS A 1 16 ? -8.470 -8.628 -8.374 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 4 +ATOM 5010 H HG2 . LYS A 1 16 ? -7.542 -8.396 -10.513 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 4 +ATOM 5011 H HG3 . LYS A 1 16 ? -6.096 -7.609 -9.891 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 4 +ATOM 5012 H HD2 . LYS A 1 16 ? -5.474 -9.699 -8.782 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 4 +ATOM 5013 H HD3 . LYS A 1 16 ? -6.860 -10.511 -9.535 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 4 +ATOM 5014 H HE2 . LYS A 1 16 ? -5.953 -9.944 -11.755 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 4 +ATOM 5015 H HE3 . LYS A 1 16 ? -4.597 -9.127 -10.987 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 4 +ATOM 5016 H HZ1 . LYS A 1 16 ? -5.160 -12.047 -11.005 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 4 +ATOM 5017 H HZ2 . LYS A 1 16 ? -4.065 -11.338 -9.965 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 4 +ATOM 5018 H HZ3 . LYS A 1 16 ? -3.806 -11.217 -11.618 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 4 +ATOM 5019 N N . GLU A 1 17 ? -7.994 -6.200 -5.923 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 4 +ATOM 5020 C CA . GLU A 1 17 ? -8.584 -5.856 -4.646 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 4 +ATOM 5021 C C . GLU A 1 17 ? -9.001 -4.369 -4.610 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 4 +ATOM 5022 O O . GLU A 1 17 ? -10.019 -4.019 -4.059 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 4 +ATOM 5023 C CB . GLU A 1 17 ? -7.613 -6.186 -3.526 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 4 +ATOM 5024 C CG . GLU A 1 17 ? -7.234 -7.662 -3.468 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 4 +ATOM 5025 C CD . GLU A 1 17 ? -8.404 -8.565 -3.155 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 4 +ATOM 5026 O OE1 . GLU A 1 17 ? -8.816 -8.641 -1.982 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 4 +ATOM 5027 O OE2 . GLU A 1 17 ? -8.923 -9.234 -4.062 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 4 +ATOM 5028 H H . GLU A 1 17 ? -7.037 -6.421 -5.937 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 4 +ATOM 5029 H HA . GLU A 1 17 ? -9.468 -6.467 -4.534 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 4 +ATOM 5030 H HB2 . GLU A 1 17 ? -6.713 -5.608 -3.670 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 4 +ATOM 5031 H HB3 . GLU A 1 17 ? -8.060 -5.912 -2.582 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 4 +ATOM 5032 H HG2 . GLU A 1 17 ? -6.856 -7.936 -4.441 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 4 +ATOM 5033 H HG3 . GLU A 1 17 ? -6.453 -7.810 -2.739 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 4 +ATOM 5034 N N . TRP A 1 18 ? -8.203 -3.529 -5.224 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 4 +ATOM 5035 C CA . TRP A 1 18 ? -8.441 -2.080 -5.328 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 4 +ATOM 5036 C C . TRP A 1 18 ? -9.756 -1.811 -6.066 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 4 +ATOM 5037 O O . TRP A 1 18 ? -10.545 -0.971 -5.659 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 4 +ATOM 5038 C CB . TRP A 1 18 ? -7.247 -1.458 -6.080 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 4 +ATOM 5039 C CG . TRP A 1 18 ? -7.241 0.029 -6.274 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 4 +ATOM 5040 C CD1 . TRP A 1 18 ? -7.628 0.711 -7.392 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 4 +ATOM 5041 C CD2 . TRP A 1 18 ? -6.770 1.011 -5.348 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 4 +ATOM 5042 N NE1 . TRP A 1 18 ? -7.438 2.058 -7.210 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 4 +ATOM 5043 C CE2 . TRP A 1 18 ? -6.913 2.268 -5.965 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 4 +ATOM 5044 C CE3 . TRP A 1 18 ? -6.247 0.953 -4.055 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 4 +ATOM 5045 C CZ2 . TRP A 1 18 ? -6.549 3.452 -5.336 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 4 +ATOM 5046 C CZ3 . TRP A 1 18 ? -5.886 2.128 -3.432 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 4 +ATOM 5047 C CH2 . TRP A 1 18 ? -6.037 3.360 -4.072 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 4 +ATOM 5048 H H . TRP A 1 18 ? -7.372 -3.883 -5.614 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 4 +ATOM 5049 H HA . TRP A 1 18 ? -8.497 -1.660 -4.333 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 4 +ATOM 5050 H HB2 . TRP A 1 18 ? -6.341 -1.702 -5.544 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 4 +ATOM 5051 H HB3 . TRP A 1 18 ? -7.195 -1.924 -7.053 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 4 +ATOM 5052 H HD1 . TRP A 1 18 ? -8.024 0.241 -8.281 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 4 +ATOM 5053 H HE1 . TRP A 1 18 ? -7.638 2.756 -7.873 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 4 +ATOM 5054 H HE3 . TRP A 1 18 ? -6.123 0.008 -3.547 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 4 +ATOM 5055 H HZ2 . TRP A 1 18 ? -6.661 4.412 -5.816 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 4 +ATOM 5056 H HZ3 . TRP A 1 18 ? -5.476 2.105 -2.434 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 4 +ATOM 5057 H HH2 . TRP A 1 18 ? -5.741 4.254 -3.543 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 4 +ATOM 5058 N N . ARG A 1 19 ? -9.990 -2.551 -7.139 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 4 +ATOM 5059 C CA . ARG A 1 19 ? -11.223 -2.425 -7.932 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 4 +ATOM 5060 C C . ARG A 1 19 ? -12.399 -3.066 -7.187 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 4 +ATOM 5061 O O . ARG A 1 19 ? -13.561 -2.729 -7.403 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 4 +ATOM 5062 C CB . ARG A 1 19 ? -11.021 -3.072 -9.304 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 4 +ATOM 5063 C CG . ARG A 1 19 ? -9.879 -2.444 -10.083 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 4 +ATOM 5064 C CD . ARG A 1 19 ? -9.559 -3.208 -11.348 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 4 +ATOM 5065 N NE . ARG A 1 19 ? -8.358 -2.676 -12.009 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 4 +ATOM 5066 C CZ . ARG A 1 19 ? -7.612 -3.342 -12.903 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 4 +ATOM 5067 N NH1 . ARG A 1 19 ? -7.974 -4.547 -13.300 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 4 +ATOM 5068 N NH2 . ARG A 1 19 ? -6.510 -2.789 -13.405 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 4 +ATOM 5069 H H . ARG A 1 19 ? -9.294 -3.192 -7.411 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 4 +ATOM 5070 H HA . ARG A 1 19 ? -11.425 -1.371 -8.059 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 4 +ATOM 5071 H HB2 . ARG A 1 19 ? -10.805 -4.121 -9.167 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 4 +ATOM 5072 H HB3 . ARG A 1 19 ? -11.927 -2.969 -9.883 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 4 +ATOM 5073 H HG2 . ARG A 1 19 ? -10.149 -1.432 -10.343 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 4 +ATOM 5074 H HG3 . ARG A 1 19 ? -9.003 -2.426 -9.451 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 4 +ATOM 5075 H HD2 . ARG A 1 19 ? -9.387 -4.243 -11.090 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 4 +ATOM 5076 H HD3 . ARG A 1 19 ? -10.395 -3.138 -12.028 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 4 +ATOM 5077 H HE . ARG A 1 19 ? -8.117 -1.764 -11.730 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 4 +ATOM 5078 H HH11 . ARG A 1 19 ? -8.801 -5.000 -12.956 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 4 +ATOM 5079 H HH12 . ARG A 1 19 ? -7.443 -5.064 -13.975 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 4 +ATOM 5080 H HH21 . ARG A 1 19 ? -6.191 -1.873 -13.146 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 4 +ATOM 5081 H HH22 . ARG A 1 19 ? -5.943 -3.269 -14.083 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 4 +ATOM 5082 N N . LYS A 1 20 ? -12.062 -3.982 -6.310 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 4 +ATOM 5083 C CA . LYS A 1 20 ? -12.997 -4.689 -5.439 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 4 +ATOM 5084 C C . LYS A 1 20 ? -13.471 -3.751 -4.306 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 4 +ATOM 5085 O O . LYS A 1 20 ? -14.519 -3.966 -3.688 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 4 +ATOM 5086 C CB . LYS A 1 20 ? -12.242 -5.903 -4.896 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 4 +ATOM 5087 C CG . LYS A 1 20 ? -12.904 -6.772 -3.854 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 4 +ATOM 5088 C CD . LYS A 1 20 ? -11.909 -7.854 -3.476 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 4 +ATOM 5089 C CE . LYS A 1 20 ? -12.362 -8.739 -2.345 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 4 +ATOM 5090 N NZ . LYS A 1 20 ? -11.325 -9.747 -2.032 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 4 +ATOM 5091 H H . LYS A 1 20 ? -11.111 -4.216 -6.240 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 4 +ATOM 5092 H HA . LYS A 1 20 ? -13.841 -5.025 -6.024 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 4 +ATOM 5093 H HB2 . LYS A 1 20 ? -11.990 -6.547 -5.724 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 4 +ATOM 5094 H HB3 . LYS A 1 20 ? -11.318 -5.529 -4.479 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 4 +ATOM 5095 H HG2 . LYS A 1 20 ? -13.149 -6.170 -2.991 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 4 +ATOM 5096 H HG3 . LYS A 1 20 ? -13.790 -7.230 -4.267 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 4 +ATOM 5097 H HD2 . LYS A 1 20 ? -11.727 -8.480 -4.336 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 4 +ATOM 5098 H HD3 . LYS A 1 20 ? -10.980 -7.377 -3.195 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 4 +ATOM 5099 H HE2 . LYS A 1 20 ? -12.543 -8.123 -1.476 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 4 +ATOM 5100 H HE3 . LYS A 1 20 ? -13.274 -9.241 -2.630 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 4 +ATOM 5101 H HZ1 . LYS A 1 20 ? -11.212 -10.421 -2.814 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 4 +ATOM 5102 H HZ2 . LYS A 1 20 ? -11.532 -10.274 -1.161 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 4 +ATOM 5103 H HZ3 . LYS A 1 20 ? -10.396 -9.286 -1.895 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 4 +ATOM 5104 N N . LEU A 1 21 ? -12.687 -2.726 -4.043 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 4 +ATOM 5105 C CA . LEU A 1 21 ? -13.026 -1.695 -3.071 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 4 +ATOM 5106 C C . LEU A 1 21 ? -14.056 -0.725 -3.628 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 4 +ATOM 5107 O O . LEU A 1 21 ? -14.306 -0.676 -4.850 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 4 +ATOM 5108 C CB . LEU A 1 21 ? -11.777 -0.907 -2.656 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 4 +ATOM 5109 C CG . LEU A 1 21 ? -11.094 -1.295 -1.344 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 4 +ATOM 5110 C CD1 . LEU A 1 21 ? -10.711 -2.759 -1.303 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 4 +ATOM 5111 C CD2 . LEU A 1 21 ? -9.886 -0.419 -1.129 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 4 +ATOM 5112 H H . LEU A 1 21 ? -11.829 -2.669 -4.514 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 4 +ATOM 5113 H HA . LEU A 1 21 ? -13.433 -2.175 -2.195 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 4 +ATOM 5114 H HB2 . LEU A 1 21 ? -11.047 -1.007 -3.447 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 4 +ATOM 5115 H HB3 . LEU A 1 21 ? -12.059 0.134 -2.594 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 4 +ATOM 5116 H HG . LEU A 1 21 ? -11.774 -1.111 -0.529 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 4 +ATOM 5117 H HD11 . LEU A 1 21 ? -10.024 -2.977 -2.108 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 4 +ATOM 5118 H HD12 . LEU A 1 21 ? -11.603 -3.358 -1.419 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 4 +ATOM 5119 H HD13 . LEU A 1 21 ? -10.246 -2.981 -0.355 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 4 +ATOM 5120 H HD21 . LEU A 1 21 ? -9.179 -0.572 -1.931 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 4 +ATOM 5121 H HD22 . LEU A 1 21 ? -9.426 -0.650 -0.179 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 4 +ATOM 5122 H HD23 . LEU A 1 21 ? -10.215 0.610 -1.135 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 4 +ATOM 5123 N N . GLY A 1 22 ? -14.640 0.043 -2.744 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 4 +ATOM 5124 C CA . GLY A 1 22 ? -15.575 1.063 -3.147 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 4 +ATOM 5125 C C . GLY A 1 22 ? -14.828 2.268 -3.677 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 4 +ATOM 5126 O O . GLY A 1 22 ? -13.667 2.485 -3.292 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 4 +ATOM 5127 H H . GLY A 1 22 ? -14.428 -0.081 -1.792 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 4 +ATOM 5128 H HA2 . GLY A 1 22 ? -16.219 0.667 -3.919 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 4 +ATOM 5129 H HA3 . GLY A 1 22 ? -16.170 1.359 -2.297 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 4 +ATOM 5130 N N . SER A 1 23 ? -15.468 3.038 -4.541 1.00 0.00 ? ? ? ? ? ? 20 SER A N 4 +ATOM 5131 C CA . SER A 1 23 ? -14.864 4.195 -5.178 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 4 +ATOM 5132 C C . SER A 1 23 ? -14.297 5.202 -4.167 1.00 0.00 ? ? ? ? ? ? 20 SER A C 4 +ATOM 5133 O O . SER A 1 23 ? -13.166 5.658 -4.309 1.00 0.00 ? ? ? ? ? ? 20 SER A O 4 +ATOM 5134 C CB . SER A 1 23 ? -15.886 4.845 -6.107 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 4 +ATOM 5135 O OG . SER A 1 23 ? -17.133 5.023 -5.439 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 4 +ATOM 5136 H H . SER A 1 23 ? -16.396 2.841 -4.785 1.00 0.00 ? ? ? ? ? ? 20 SER A H 4 +ATOM 5137 H HA . SER A 1 23 ? -14.046 3.835 -5.786 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 4 +ATOM 5138 H HB2 . SER A 1 23 ? -15.518 5.810 -6.425 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 4 +ATOM 5139 H HB3 . SER A 1 23 ? -16.039 4.215 -6.970 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 4 +ATOM 5140 H HG . SER A 1 23 ? -17.555 5.781 -5.864 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 4 +ATOM 5141 N N . THR A 1 24 ? -15.066 5.520 -3.155 1.00 0.00 ? ? ? ? ? ? 21 THR A N 4 +ATOM 5142 C CA . THR A 1 24 ? -14.633 6.442 -2.139 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 4 +ATOM 5143 C C . THR A 1 24 ? -13.524 5.812 -1.295 1.00 0.00 ? ? ? ? ? ? 21 THR A C 4 +ATOM 5144 O O . THR A 1 24 ? -12.512 6.444 -1.026 1.00 0.00 ? ? ? ? ? ? 21 THR A O 4 +ATOM 5145 C CB . THR A 1 24 ? -15.810 6.860 -1.239 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 4 +ATOM 5146 O OG1 . THR A 1 24 ? -16.926 7.219 -2.076 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 4 +ATOM 5147 C CG2 . THR A 1 24 ? -15.429 8.064 -0.379 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 4 +ATOM 5148 H H . THR A 1 24 ? -15.953 5.110 -3.079 1.00 0.00 ? ? ? ? ? ? 21 THR A H 4 +ATOM 5149 H HA . THR A 1 24 ? -14.241 7.321 -2.632 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 4 +ATOM 5150 H HB . THR A 1 24 ? -16.082 6.034 -0.598 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 4 +ATOM 5151 H HG1 . THR A 1 24 ? -17.621 6.564 -1.919 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 4 +ATOM 5152 H HG21 . THR A 1 24 ? -14.588 7.808 0.249 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 4 +ATOM 5153 H HG22 . THR A 1 24 ? -16.269 8.344 0.238 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 4 +ATOM 5154 H HG23 . THR A 1 24 ? -15.163 8.894 -1.017 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 4 +ATOM 5155 N N . VAL A 1 25 ? -13.704 4.540 -0.953 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 4 +ATOM 5156 C CA . VAL A 1 25 ? -12.774 3.808 -0.088 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 4 +ATOM 5157 C C . VAL A 1 25 ? -11.387 3.725 -0.710 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 4 +ATOM 5158 O O . VAL A 1 25 ? -10.387 4.054 -0.056 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 4 +ATOM 5159 C CB . VAL A 1 25 ? -13.295 2.374 0.229 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 4 +ATOM 5160 C CG1 . VAL A 1 25 ? -12.250 1.567 0.970 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 4 +ATOM 5161 C CG2 . VAL A 1 25 ? -14.556 2.446 1.067 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 4 +ATOM 5162 H H . VAL A 1 25 ? -14.492 4.081 -1.316 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 4 +ATOM 5163 H HA . VAL A 1 25 ? -12.699 4.355 0.841 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 4 +ATOM 5164 H HB . VAL A 1 25 ? -13.532 1.874 -0.698 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 4 +ATOM 5165 H HG11 . VAL A 1 25 ? -11.355 1.503 0.369 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 4 +ATOM 5166 H HG12 . VAL A 1 25 ? -12.630 0.573 1.160 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 4 +ATOM 5167 H HG13 . VAL A 1 25 ? -12.019 2.051 1.908 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 4 +ATOM 5168 H HG21 . VAL A 1 25 ? -14.924 1.449 1.255 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 4 +ATOM 5169 H HG22 . VAL A 1 25 ? -15.305 3.024 0.549 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 4 +ATOM 5170 H HG23 . VAL A 1 25 ? -14.329 2.924 2.009 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 4 +ATOM 5171 N N . ARG A 1 26 ? -11.332 3.348 -1.984 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 4 +ATOM 5172 C CA . ARG A 1 26 ? -10.062 3.274 -2.685 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 4 +ATOM 5173 C C . ARG A 1 26 ? -9.452 4.672 -2.757 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 4 +ATOM 5174 O O . ARG A 1 26 ? -8.272 4.847 -2.546 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 4 +ATOM 5175 C CB . ARG A 1 26 ? -10.209 2.697 -4.122 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 4 +ATOM 5176 C CG . ARG A 1 26 ? -11.163 3.500 -4.976 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 4 +ATOM 5177 C CD . ARG A 1 26 ? -10.858 3.479 -6.450 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 4 +ATOM 5178 N NE . ARG A 1 26 ? -11.595 4.570 -7.104 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 4 +ATOM 5179 C CZ . ARG A 1 26 ? -11.717 4.773 -8.414 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 4 +ATOM 5180 N NH1 . ARG A 1 26 ? -11.325 3.846 -9.284 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 4 +ATOM 5181 N NH2 . ARG A 1 26 ? -12.274 5.904 -8.845 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 4 +ATOM 5182 H H . ARG A 1 26 ? -12.172 3.113 -2.443 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 4 +ATOM 5183 H HA . ARG A 1 26 ? -9.405 2.640 -2.109 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 4 +ATOM 5184 H HB2 . ARG A 1 26 ? -9.239 2.696 -4.599 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 4 +ATOM 5185 H HB3 . ARG A 1 26 ? -10.574 1.683 -4.057 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 4 +ATOM 5186 H HG2 . ARG A 1 26 ? -12.148 3.078 -4.843 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 4 +ATOM 5187 H HG3 . ARG A 1 26 ? -11.191 4.519 -4.622 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 4 +ATOM 5188 H HD2 . ARG A 1 26 ? -9.797 3.629 -6.592 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 4 +ATOM 5189 H HD3 . ARG A 1 26 ? -11.156 2.540 -6.888 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 4 +ATOM 5190 H HE . ARG A 1 26 ? -11.976 5.229 -6.479 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 4 +ATOM 5191 H HH11 . ARG A 1 26 ? -10.935 2.970 -8.988 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 4 +ATOM 5192 H HH12 . ARG A 1 26 ? -11.405 3.981 -10.275 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 4 +ATOM 5193 H HH21 . ARG A 1 26 ? -12.592 6.610 -8.194 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 4 +ATOM 5194 H HH22 . ARG A 1 26 ? -12.411 6.106 -9.819 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 4 +ATOM 5195 N N . GLU A 1 27 ? -10.285 5.659 -3.026 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 4 +ATOM 5196 C CA . GLU A 1 27 ? -9.836 7.004 -3.174 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 4 +ATOM 5197 C C . GLU A 1 27 ? -9.319 7.645 -1.894 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 4 +ATOM 5198 O O . GLU A 1 27 ? -8.388 8.419 -1.952 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 4 +ATOM 5199 C CB . GLU A 1 27 ? -10.786 7.845 -4.012 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 4 +ATOM 5200 C CG . GLU A 1 27 ? -10.711 7.416 -5.481 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 4 +ATOM 5201 C CD . GLU A 1 27 ? -11.566 8.205 -6.434 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 4 +ATOM 5202 O OE1 . GLU A 1 27 ? -11.120 9.274 -6.901 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 4 +ATOM 5203 O OE2 . GLU A 1 27 ? -12.663 7.732 -6.802 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 4 +ATOM 5204 H H . GLU A 1 27 ? -11.246 5.478 -3.105 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 4 +ATOM 5205 H HA . GLU A 1 27 ? -8.938 6.866 -3.759 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 4 +ATOM 5206 H HB2 . GLU A 1 27 ? -11.789 7.671 -3.642 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 4 +ATOM 5207 H HB3 . GLU A 1 27 ? -10.526 8.889 -3.935 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 4 +ATOM 5208 H HG2 . GLU A 1 27 ? -9.687 7.514 -5.810 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 4 +ATOM 5209 H HG3 . GLU A 1 27 ? -10.992 6.376 -5.542 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 4 +ATOM 5210 N N . GLN A 1 28 ? -9.897 7.293 -0.743 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 4 +ATOM 5211 C CA . GLN A 1 28 ? -9.375 7.726 0.553 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 4 +ATOM 5212 C C . GLN A 1 28 ? -7.948 7.211 0.710 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 4 +ATOM 5213 O O . GLN A 1 28 ? -7.043 7.942 1.117 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 4 +ATOM 5214 C CB . GLN A 1 28 ? -10.219 7.165 1.703 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 4 +ATOM 5215 C CG . GLN A 1 28 ? -11.688 7.550 1.705 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 4 +ATOM 5216 C CD . GLN A 1 28 ? -11.910 9.034 1.756 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 4 +ATOM 5217 O OE1 . GLN A 1 28 ? -11.989 9.624 2.827 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 4 +ATOM 5218 N NE2 . GLN A 1 28 ? -12.032 9.643 0.619 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 4 +ATOM 5219 H H . GLN A 1 28 ? -10.721 6.761 -0.753 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 4 +ATOM 5220 H HA . GLN A 1 28 ? -9.375 8.805 0.598 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 4 +ATOM 5221 H HB2 . GLN A 1 28 ? -10.182 6.090 1.635 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 4 +ATOM 5222 H HB3 . GLN A 1 28 ? -9.780 7.470 2.641 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 4 +ATOM 5223 H HG2 . GLN A 1 28 ? -12.143 7.173 0.801 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 4 +ATOM 5224 H HG3 . GLN A 1 28 ? -12.167 7.098 2.563 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 4 +ATOM 5225 H HE21 . GLN A 1 28 ? -11.978 9.128 -0.213 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 4 +ATOM 5226 H HE22 . GLN A 1 28 ? -12.182 10.611 0.629 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 4 +ATOM 5227 N N . LEU A 1 29 ? -7.756 5.950 0.350 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 4 +ATOM 5228 C CA . LEU A 1 29 ? -6.451 5.319 0.409 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 4 +ATOM 5229 C C . LEU A 1 29 ? -5.511 5.953 -0.606 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 4 +ATOM 5230 O O . LEU A 1 29 ? -4.360 6.214 -0.306 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 4 +ATOM 5231 C CB . LEU A 1 29 ? -6.576 3.813 0.184 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 4 +ATOM 5232 C CG . LEU A 1 29 ? -7.354 3.038 1.259 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 4 +ATOM 5233 C CD1 . LEU A 1 29 ? -7.493 1.584 0.874 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 4 +ATOM 5234 C CD2 . LEU A 1 29 ? -6.671 3.155 2.618 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 4 +ATOM 5235 H H . LEU A 1 29 ? -8.524 5.426 0.032 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 4 +ATOM 5236 H HA . LEU A 1 29 ? -6.051 5.496 1.396 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 4 +ATOM 5237 H HB2 . LEU A 1 29 ? -7.069 3.665 -0.766 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 4 +ATOM 5238 H HB3 . LEU A 1 29 ? -5.580 3.401 0.116 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 4 +ATOM 5239 H HG . LEU A 1 29 ? -8.347 3.454 1.342 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 4 +ATOM 5240 H HD11 . LEU A 1 29 ? -8.041 1.059 1.643 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 4 +ATOM 5241 H HD12 . LEU A 1 29 ? -6.511 1.147 0.767 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 4 +ATOM 5242 H HD13 . LEU A 1 29 ? -8.026 1.510 -0.062 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 4 +ATOM 5243 H HD21 . LEU A 1 29 ? -7.212 2.566 3.343 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 4 +ATOM 5244 H HD22 . LEU A 1 29 ? -6.666 4.187 2.937 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 4 +ATOM 5245 H HD23 . LEU A 1 29 ? -5.656 2.792 2.546 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 4 +ATOM 5246 N N . LYS A 1 30 ? -6.034 6.219 -1.791 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 4 +ATOM 5247 C CA . LYS A 1 30 ? -5.311 6.910 -2.863 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 4 +ATOM 5248 C C . LYS A 1 30 ? -4.823 8.273 -2.367 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 4 +ATOM 5249 O O . LYS A 1 30 ? -3.698 8.675 -2.633 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 4 +ATOM 5250 C CB . LYS A 1 30 ? -6.247 7.138 -4.041 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 4 +ATOM 5251 C CG . LYS A 1 30 ? -5.613 7.850 -5.225 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 4 +ATOM 5252 C CD . LYS A 1 30 ? -6.663 8.370 -6.192 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 4 +ATOM 5253 C CE . LYS A 1 30 ? -7.494 9.483 -5.551 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 4 +ATOM 5254 N NZ . LYS A 1 30 ? -8.497 10.041 -6.469 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 4 +ATOM 5255 H H . LYS A 1 30 ? -6.949 5.896 -1.958 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 4 +ATOM 5256 H HA . LYS A 1 30 ? -4.475 6.306 -3.183 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 4 +ATOM 5257 H HB2 . LYS A 1 30 ? -6.629 6.185 -4.375 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 4 +ATOM 5258 H HB3 . LYS A 1 30 ? -7.068 7.737 -3.678 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 4 +ATOM 5259 H HG2 . LYS A 1 30 ? -5.045 8.686 -4.845 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 4 +ATOM 5260 H HG3 . LYS A 1 30 ? -4.954 7.166 -5.741 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 4 +ATOM 5261 H HD2 . LYS A 1 30 ? -6.175 8.754 -7.075 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 4 +ATOM 5262 H HD3 . LYS A 1 30 ? -7.320 7.557 -6.464 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 4 +ATOM 5263 H HE2 . LYS A 1 30 ? -8.013 9.099 -4.687 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 4 +ATOM 5264 H HE3 . LYS A 1 30 ? -6.822 10.273 -5.244 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 4 +ATOM 5265 H HZ1 . LYS A 1 30 ? -9.175 9.329 -6.814 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 4 +ATOM 5266 H HZ2 . LYS A 1 30 ? -8.054 10.494 -7.291 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 4 +ATOM 5267 H HZ3 . LYS A 1 30 ? -9.053 10.766 -5.972 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 4 +ATOM 5268 N N . LYS A 1 31 ? -5.697 8.972 -1.661 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 4 +ATOM 5269 C CA . LYS A 1 31 ? -5.381 10.254 -1.059 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 4 +ATOM 5270 C C . LYS A 1 31 ? -4.216 10.117 -0.091 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 4 +ATOM 5271 O O . LYS A 1 31 ? -3.313 10.948 -0.083 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 4 +ATOM 5272 C CB . LYS A 1 31 ? -6.618 10.844 -0.383 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 4 +ATOM 5273 C CG . LYS A 1 31 ? -7.660 11.358 -1.380 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 4 +ATOM 5274 C CD . LYS A 1 31 ? -9.068 11.408 -0.787 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 4 +ATOM 5275 C CE . LYS A 1 31 ? -9.162 12.222 0.480 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 4 +ATOM 5276 N NZ . LYS A 1 31 ? -8.904 13.656 0.245 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 4 +ATOM 5277 H H . LYS A 1 31 ? -6.605 8.605 -1.565 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 4 +ATOM 5278 H HA . LYS A 1 31 ? -5.081 10.908 -1.863 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 4 +ATOM 5279 H HB2 . LYS A 1 31 ? -7.073 10.089 0.241 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 4 +ATOM 5280 H HB3 . LYS A 1 31 ? -6.306 11.674 0.235 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 4 +ATOM 5281 H HG2 . LYS A 1 31 ? -7.383 12.350 -1.702 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 4 +ATOM 5282 H HG3 . LYS A 1 31 ? -7.665 10.692 -2.232 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 4 +ATOM 5283 H HD2 . LYS A 1 31 ? -9.719 11.866 -1.516 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 4 +ATOM 5284 H HD3 . LYS A 1 31 ? -9.404 10.401 -0.596 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 4 +ATOM 5285 H HE2 . LYS A 1 31 ? -10.150 12.072 0.890 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 4 +ATOM 5286 H HE3 . LYS A 1 31 ? -8.430 11.821 1.165 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 4 +ATOM 5287 H HZ1 . LYS A 1 31 ? -9.604 14.031 -0.425 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 4 +ATOM 5288 H HZ2 . LYS A 1 31 ? -7.965 13.827 -0.168 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 4 +ATOM 5289 H HZ3 . LYS A 1 31 ? -8.991 14.201 1.125 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 4 +ATOM 5290 N N . LYS A 1 32 ? -4.219 9.052 0.692 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 4 +ATOM 5291 C CA . LYS A 1 32 ? -3.098 8.764 1.574 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 4 +ATOM 5292 C C . LYS A 1 32 ? -1.847 8.433 0.792 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 4 +ATOM 5293 O O . LYS A 1 32 ? -0.765 8.855 1.157 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 4 +ATOM 5294 C CB . LYS A 1 32 ? -3.408 7.667 2.593 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 4 +ATOM 5295 C CG . LYS A 1 32 ? -3.986 8.182 3.910 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 4 +ATOM 5296 C CD . LYS A 1 32 ? -5.345 8.824 3.757 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 4 +ATOM 5297 C CE . LYS A 1 32 ? -5.816 9.404 5.078 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 4 +ATOM 5298 N NZ . LYS A 1 32 ? -4.991 10.565 5.508 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 4 +ATOM 5299 H H . LYS A 1 32 ? -4.993 8.448 0.670 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 4 +ATOM 5300 H HA . LYS A 1 32 ? -2.873 9.670 2.115 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 4 +ATOM 5301 H HB2 . LYS A 1 32 ? -4.119 6.981 2.157 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 4 +ATOM 5302 H HB3 . LYS A 1 32 ? -2.493 7.135 2.806 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 4 +ATOM 5303 H HG2 . LYS A 1 32 ? -4.086 7.356 4.599 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 4 +ATOM 5304 H HG3 . LYS A 1 32 ? -3.299 8.908 4.321 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 4 +ATOM 5305 H HD2 . LYS A 1 32 ? -5.274 9.614 3.024 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 4 +ATOM 5306 H HD3 . LYS A 1 32 ? -6.054 8.081 3.424 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 4 +ATOM 5307 H HE2 . LYS A 1 32 ? -6.851 9.699 5.000 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 4 +ATOM 5308 H HE3 . LYS A 1 32 ? -5.717 8.616 5.812 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 4 +ATOM 5309 H HZ1 . LYS A 1 32 ? -5.385 10.971 6.383 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 4 +ATOM 5310 H HZ2 . LYS A 1 32 ? -4.976 11.306 4.780 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 4 +ATOM 5311 H HZ3 . LYS A 1 32 ? -4.015 10.267 5.703 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 4 +ATOM 5312 N N . LEU A 1 33 ? -2.007 7.717 -0.296 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 4 +ATOM 5313 C CA . LEU A 1 33 ? -0.889 7.348 -1.139 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 4 +ATOM 5314 C C . LEU A 1 33 ? -0.242 8.568 -1.773 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 4 +ATOM 5315 O O . LEU A 1 33 ? 0.966 8.729 -1.710 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 4 +ATOM 5316 C CB . LEU A 1 33 ? -1.321 6.361 -2.226 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 4 +ATOM 5317 C CG . LEU A 1 33 ? -1.884 5.029 -1.739 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 4 +ATOM 5318 C CD1 . LEU A 1 33 ? -2.260 4.148 -2.914 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 4 +ATOM 5319 C CD2 . LEU A 1 33 ? -0.895 4.323 -0.822 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 4 +ATOM 5320 H H . LEU A 1 33 ? -2.911 7.405 -0.525 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 4 +ATOM 5321 H HA . LEU A 1 33 ? -0.160 6.860 -0.510 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 4 +ATOM 5322 H HB2 . LEU A 1 33 ? -2.074 6.845 -2.828 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 4 +ATOM 5323 H HB3 . LEU A 1 33 ? -0.465 6.156 -2.852 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 4 +ATOM 5324 H HG . LEU A 1 33 ? -2.786 5.225 -1.177 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 4 +ATOM 5325 H HD11 . LEU A 1 33 ? -1.384 3.967 -3.518 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 4 +ATOM 5326 H HD12 . LEU A 1 33 ? -3.013 4.643 -3.510 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 4 +ATOM 5327 H HD13 . LEU A 1 33 ? -2.646 3.207 -2.552 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 4 +ATOM 5328 H HD21 . LEU A 1 33 ? -0.728 4.930 0.055 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 4 +ATOM 5329 H HD22 . LEU A 1 33 ? 0.041 4.179 -1.342 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 4 +ATOM 5330 H HD23 . LEU A 1 33 ? -1.298 3.366 -0.526 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 4 +ATOM 5331 N N . VAL A 1 34 ? -1.052 9.452 -2.333 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 4 +ATOM 5332 C CA . VAL A 1 34 ? -0.531 10.630 -3.004 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 4 +ATOM 5333 C C . VAL A 1 34 ? 0.197 11.565 -2.015 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 4 +ATOM 5334 O O . VAL A 1 34 ? 1.266 12.104 -2.338 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 4 +ATOM 5335 C CB . VAL A 1 34 ? -1.626 11.386 -3.851 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 4 +ATOM 5336 C CG1 . VAL A 1 34 ? -2.727 11.982 -2.998 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 4 +ATOM 5337 C CG2 . VAL A 1 34 ? -1.013 12.445 -4.751 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 4 +ATOM 5338 H H . VAL A 1 34 ? -2.022 9.288 -2.301 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 4 +ATOM 5339 H HA . VAL A 1 34 ? 0.228 10.259 -3.680 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 4 +ATOM 5340 H HB . VAL A 1 34 ? -2.093 10.647 -4.485 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 4 +ATOM 5341 H HG11 . VAL A 1 34 ? -3.466 12.454 -3.628 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 4 +ATOM 5342 H HG12 . VAL A 1 34 ? -2.301 12.716 -2.331 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 4 +ATOM 5343 H HG13 . VAL A 1 34 ? -3.188 11.195 -2.420 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 4 +ATOM 5344 H HG21 . VAL A 1 34 ? -0.320 11.977 -5.433 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 4 +ATOM 5345 H HG22 . VAL A 1 34 ? -0.499 13.180 -4.148 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 4 +ATOM 5346 H HG23 . VAL A 1 34 ? -1.806 12.921 -5.310 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 4 +ATOM 5347 N N . GLU A 1 35 ? -0.364 11.740 -0.811 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 4 +ATOM 5348 C CA . GLU A 1 35 ? 0.282 12.564 0.204 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 4 +ATOM 5349 C C . GLU A 1 35 ? 1.556 11.903 0.748 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 4 +ATOM 5350 O O . GLU A 1 35 ? 2.583 12.554 0.881 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 4 +ATOM 5351 C CB . GLU A 1 35 ? -0.680 12.983 1.341 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 4 +ATOM 5352 C CG . GLU A 1 35 ? -1.265 11.842 2.149 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 4 +ATOM 5353 C CD . GLU A 1 35 ? -2.181 12.306 3.251 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 4 +ATOM 5354 O OE1 . GLU A 1 35 ? -3.401 12.443 3.021 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 4 +ATOM 5355 O OE2 . GLU A 1 35 ? -1.706 12.532 4.377 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 4 +ATOM 5356 H H . GLU A 1 35 ? -1.221 11.304 -0.608 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 4 +ATOM 5357 H HA . GLU A 1 35 ? 0.608 13.452 -0.316 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 4 +ATOM 5358 H HB2 . GLU A 1 35 ? -0.151 13.632 2.022 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 4 +ATOM 5359 H HB3 . GLU A 1 35 ? -1.497 13.535 0.901 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 4 +ATOM 5360 H HG2 . GLU A 1 35 ? -1.825 11.215 1.471 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 4 +ATOM 5361 H HG3 . GLU A 1 35 ? -0.455 11.270 2.577 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 4 +ATOM 5362 N N . VAL A 1 36 ? 1.489 10.593 1.006 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 4 +ATOM 5363 C CA . VAL A 1 36 ? 2.602 9.854 1.590 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 4 +ATOM 5364 C C . VAL A 1 36 ? 3.817 9.856 0.659 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 4 +ATOM 5365 O O . VAL A 1 36 ? 4.942 9.841 1.113 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 4 +ATOM 5366 C CB . VAL A 1 36 ? 2.223 8.397 2.036 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 4 +ATOM 5367 C CG1 . VAL A 1 36 ? 2.193 7.398 0.887 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 4 +ATOM 5368 C CG2 . VAL A 1 36 ? 3.111 7.921 3.168 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 4 +ATOM 5369 H H . VAL A 1 36 ? 0.656 10.103 0.817 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 4 +ATOM 5370 H HA . VAL A 1 36 ? 2.888 10.419 2.467 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 4 +ATOM 5371 H HB . VAL A 1 36 ? 1.212 8.452 2.414 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 4 +ATOM 5372 H HG11 . VAL A 1 36 ? 1.510 7.753 0.131 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 4 +ATOM 5373 H HG12 . VAL A 1 36 ? 1.864 6.435 1.250 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 4 +ATOM 5374 H HG13 . VAL A 1 36 ? 3.182 7.306 0.462 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 4 +ATOM 5375 H HG21 . VAL A 1 36 ? 2.865 6.898 3.417 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 4 +ATOM 5376 H HG22 . VAL A 1 36 ? 2.937 8.546 4.030 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 4 +ATOM 5377 H HG23 . VAL A 1 36 ? 4.146 7.989 2.871 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 4 +ATOM 5378 N N . LEU A 1 37 ? 3.559 9.898 -0.648 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 4 +ATOM 5379 C CA . LEU A 1 37 ? 4.600 9.882 -1.685 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 4 +ATOM 5380 C C . LEU A 1 37 ? 5.650 10.969 -1.521 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 4 +ATOM 5381 O O . LEU A 1 37 ? 6.772 10.794 -1.993 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 4 +ATOM 5382 C CB . LEU A 1 37 ? 4.007 9.983 -3.088 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 4 +ATOM 5383 C CG . LEU A 1 37 ? 3.245 8.775 -3.614 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 4 +ATOM 5384 C CD1 . LEU A 1 37 ? 2.686 9.072 -4.990 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 4 +ATOM 5385 C CD2 . LEU A 1 37 ? 4.150 7.562 -3.665 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 4 +ATOM 5386 H H . LEU A 1 37 ? 2.617 9.927 -0.923 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 4 +ATOM 5387 H HA . LEU A 1 37 ? 5.107 8.931 -1.612 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 4 +ATOM 5388 H HB2 . LEU A 1 37 ? 3.327 10.821 -3.085 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 4 +ATOM 5389 H HB3 . LEU A 1 37 ? 4.811 10.204 -3.774 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 4 +ATOM 5390 H HG . LEU A 1 37 ? 2.417 8.556 -2.956 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 4 +ATOM 5391 H HD11 . LEU A 1 37 ? 2.110 8.230 -5.341 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 4 +ATOM 5392 H HD12 . LEU A 1 37 ? 3.506 9.262 -5.667 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 4 +ATOM 5393 H HD13 . LEU A 1 37 ? 2.057 9.948 -4.943 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 4 +ATOM 5394 H HD21 . LEU A 1 37 ? 4.440 7.276 -2.666 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 4 +ATOM 5395 H HD22 . LEU A 1 37 ? 5.035 7.812 -4.233 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 4 +ATOM 5396 H HD23 . LEU A 1 37 ? 3.641 6.742 -4.148 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 4 +ATOM 5397 N N . GLU A 1 38 ? 5.307 12.092 -0.882 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 4 +ATOM 5398 C CA . GLU A 1 38 ? 6.294 13.151 -0.703 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 4 +ATOM 5399 C C . GLU A 1 38 ? 7.403 12.700 0.251 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 4 +ATOM 5400 O O . GLU A 1 38 ? 8.527 13.178 0.171 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 4 +ATOM 5401 C CB . GLU A 1 38 ? 5.672 14.476 -0.226 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 4 +ATOM 5402 C CG . GLU A 1 38 ? 5.004 14.417 1.135 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 4 +ATOM 5403 C CD . GLU A 1 38 ? 4.542 15.767 1.607 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 4 +ATOM 5404 O OE1 . GLU A 1 38 ? 3.444 16.217 1.218 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 4 +ATOM 5405 O OE2 . GLU A 1 38 ? 5.269 16.411 2.394 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 4 +ATOM 5406 H H . GLU A 1 38 ? 4.400 12.192 -0.516 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 4 +ATOM 5407 H HA . GLU A 1 38 ? 6.751 13.304 -1.669 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 4 +ATOM 5408 H HB2 . GLU A 1 38 ? 6.447 15.226 -0.181 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 4 +ATOM 5409 H HB3 . GLU A 1 38 ? 4.934 14.787 -0.951 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 4 +ATOM 5410 H HG2 . GLU A 1 38 ? 4.148 13.762 1.077 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 4 +ATOM 5411 H HG3 . GLU A 1 38 ? 5.710 14.023 1.851 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 4 +ATOM 5412 N N . SER A 1 39 ? 7.076 11.777 1.135 1.00 0.00 ? ? ? ? ? ? 36 SER A N 4 +ATOM 5413 C CA . SER A 1 39 ? 8.018 11.233 2.073 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 4 +ATOM 5414 C C . SER A 1 39 ? 7.515 9.926 2.675 1.00 0.00 ? ? ? ? ? ? 36 SER A C 4 +ATOM 5415 O O . SER A 1 39 ? 7.038 9.898 3.791 1.00 0.00 ? ? ? ? ? ? 36 SER A O 4 +ATOM 5416 C CB . SER A 1 39 ? 8.386 12.263 3.144 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 4 +ATOM 5417 O OG . SER A 1 39 ? 7.231 12.920 3.656 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 4 +ATOM 5418 H H . SER A 1 39 ? 6.160 11.418 1.155 1.00 0.00 ? ? ? ? ? ? 36 SER A H 4 +ATOM 5419 H HA . SER A 1 39 ? 8.908 10.986 1.519 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 4 +ATOM 5420 H HB2 . SER A 1 39 ? 8.882 11.763 3.962 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 4 +ATOM 5421 H HB3 . SER A 1 39 ? 9.044 13.006 2.725 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 4 +ATOM 5422 H HG . SER A 1 39 ? 7.366 13.858 3.472 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 4 +ATOM 5423 N N . PRO A 1 40 ? 7.608 8.807 1.923 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 4 +ATOM 5424 C CA . PRO A 1 40 ? 7.097 7.502 2.367 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 4 +ATOM 5425 C C . PRO A 1 40 ? 7.989 6.817 3.408 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 4 +ATOM 5426 O O . PRO A 1 40 ? 7.793 5.668 3.730 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 4 +ATOM 5427 C CB . PRO A 1 40 ? 7.054 6.691 1.074 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 4 +ATOM 5428 C CG . PRO A 1 40 ? 8.154 7.260 0.257 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 4 +ATOM 5429 C CD . PRO A 1 40 ? 8.168 8.732 0.558 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 4 +ATOM 5430 H HA . PRO A 1 40 ? 6.101 7.587 2.772 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 4 +ATOM 5431 H HB2 . PRO A 1 40 ? 7.214 5.646 1.291 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 4 +ATOM 5432 H HB3 . PRO A 1 40 ? 6.098 6.823 0.590 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 4 +ATOM 5433 H HG2 . PRO A 1 40 ? 9.093 6.813 0.550 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 4 +ATOM 5434 H HG3 . PRO A 1 40 ? 7.966 7.091 -0.792 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 4 +ATOM 5435 H HD2 . PRO A 1 40 ? 9.176 9.118 0.526 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 4 +ATOM 5436 H HD3 . PRO A 1 40 ? 7.533 9.258 -0.140 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 4 +ATOM 5437 N N . ARG A 1 41 ? 8.930 7.561 3.945 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 4 +ATOM 5438 C CA . ARG A 1 41 ? 9.867 7.088 4.974 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 4 +ATOM 5439 C C . ARG A 1 41 ? 9.277 7.217 6.387 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 4 +ATOM 5440 O O . ARG A 1 41 ? 10.002 7.319 7.374 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 4 +ATOM 5441 C CB . ARG A 1 41 ? 11.218 7.848 4.855 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 4 +ATOM 5442 C CG . ARG A 1 41 ? 11.140 9.380 4.582 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 4 +ATOM 5443 C CD . ARG A 1 41 ? 10.391 10.191 5.652 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 4 +ATOM 5444 N NE . ARG A 1 41 ? 10.972 10.073 6.996 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 4 +ATOM 5445 C CZ . ARG A 1 41 ? 10.563 10.781 8.071 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 4 +ATOM 5446 N NH1 . ARG A 1 41 ? 9.660 11.756 7.934 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 4 +ATOM 5447 N NH2 . ARG A 1 41 ? 11.072 10.525 9.274 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 4 +ATOM 5448 H H . ARG A 1 41 ? 8.983 8.484 3.629 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 4 +ATOM 5449 H HA . ARG A 1 41 ? 10.046 6.040 4.783 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 4 +ATOM 5450 H HB2 . ARG A 1 41 ? 11.759 7.715 5.779 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 4 +ATOM 5451 H HB3 . ARG A 1 41 ? 11.792 7.396 4.060 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 4 +ATOM 5452 H HG2 . ARG A 1 41 ? 12.144 9.767 4.511 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 4 +ATOM 5453 H HG3 . ARG A 1 41 ? 10.650 9.522 3.629 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 4 +ATOM 5454 H HD2 . ARG A 1 41 ? 10.413 11.232 5.368 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 4 +ATOM 5455 H HD3 . ARG A 1 41 ? 9.365 9.855 5.682 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 4 +ATOM 5456 H HE . ARG A 1 41 ? 11.675 9.389 7.083 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 4 +ATOM 5457 H HH11 . ARG A 1 41 ? 9.255 12.010 7.050 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 4 +ATOM 5458 H HH12 . ARG A 1 41 ? 9.329 12.299 8.711 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 4 +ATOM 5459 H HH21 . ARG A 1 41 ? 11.762 9.814 9.441 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 4 +ATOM 5460 H HH22 . ARG A 1 41 ? 10.790 11.049 10.083 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 4 +ATOM 5461 N N . ILE A 1 42 ? 7.982 7.148 6.465 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 4 +ATOM 5462 C CA . ILE A 1 42 ? 7.260 7.353 7.693 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 4 +ATOM 5463 C C . ILE A 1 42 ? 7.245 6.070 8.512 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 4 +ATOM 5464 O O . ILE A 1 42 ? 6.407 5.181 8.315 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 4 +ATOM 5465 C CB . ILE A 1 42 ? 5.834 7.886 7.377 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 4 +ATOM 5466 C CG1 . ILE A 1 42 ? 5.999 9.223 6.647 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 4 +ATOM 5467 C CG2 . ILE A 1 42 ? 4.982 8.049 8.643 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 4 +ATOM 5468 C CD1 . ILE A 1 42 ? 4.748 9.810 6.052 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 4 +ATOM 5469 H H . ILE A 1 42 ? 7.494 6.909 5.650 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 4 +ATOM 5470 H HA . ILE A 1 42 ? 7.793 8.106 8.256 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 4 +ATOM 5471 H HB . ILE A 1 42 ? 5.340 7.198 6.707 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 4 +ATOM 5472 H HG12 . ILE A 1 42 ? 6.387 9.950 7.344 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 4 +ATOM 5473 H HG13 . ILE A 1 42 ? 6.716 9.090 5.850 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 4 +ATOM 5474 H HG21 . ILE A 1 42 ? 5.438 8.776 9.296 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 4 +ATOM 5475 H HG22 . ILE A 1 42 ? 4.917 7.100 9.156 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 4 +ATOM 5476 H HG23 . ILE A 1 42 ? 3.990 8.376 8.371 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 4 +ATOM 5477 H HD11 . ILE A 1 42 ? 5.049 10.685 5.490 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 4 +ATOM 5478 H HD12 . ILE A 1 42 ? 4.049 10.084 6.828 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 4 +ATOM 5479 H HD13 . ILE A 1 42 ? 4.311 9.094 5.373 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 4 +ATOM 5480 N N . GLU A 1 43 ? 8.217 5.985 9.411 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 4 +ATOM 5481 C CA . GLU A 1 43 ? 8.456 4.823 10.254 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 4 +ATOM 5482 C C . GLU A 1 43 ? 7.255 4.454 11.115 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 4 +ATOM 5483 O O . GLU A 1 43 ? 7.108 3.297 11.508 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 4 +ATOM 5484 C CB . GLU A 1 43 ? 9.707 5.016 11.114 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 4 +ATOM 5485 C CG . GLU A 1 43 ? 9.679 6.262 11.976 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 4 +ATOM 5486 C CD . GLU A 1 43 ? 10.865 6.369 12.886 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 4 +ATOM 5487 O OE1 . GLU A 1 43 ? 11.896 6.951 12.485 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 4 +ATOM 5488 O OE2 . GLU A 1 43 ? 10.789 5.896 14.042 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 4 +ATOM 5489 H H . GLU A 1 43 ? 8.814 6.759 9.499 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 4 +ATOM 5490 H HA . GLU A 1 43 ? 8.642 3.997 9.584 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 4 +ATOM 5491 H HB2 . GLU A 1 43 ? 9.826 4.160 11.761 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 4 +ATOM 5492 H HB3 . GLU A 1 43 ? 10.564 5.080 10.461 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 4 +ATOM 5493 H HG2 . GLU A 1 43 ? 9.667 7.127 11.330 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 4 +ATOM 5494 H HG3 . GLU A 1 43 ? 8.778 6.247 12.571 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 4 +ATOM 5495 N N . ALA A 1 44 ? 6.381 5.419 11.372 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 4 +ATOM 5496 C CA . ALA A 1 44 ? 5.170 5.178 12.151 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 4 +ATOM 5497 C C . ALA A 1 44 ? 4.229 4.219 11.411 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 4 +ATOM 5498 O O . ALA A 1 44 ? 3.360 3.588 12.014 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 4 +ATOM 5499 C CB . ALA A 1 44 ? 4.462 6.493 12.449 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 4 +ATOM 5500 H H . ALA A 1 44 ? 6.575 6.326 11.043 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 4 +ATOM 5501 H HA . ALA A 1 44 ? 5.462 4.723 13.086 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 4 +ATOM 5502 H HB1 . ALA A 1 44 ? 5.137 7.157 12.970 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 4 +ATOM 5503 H HB2 . ALA A 1 44 ? 3.597 6.304 13.068 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 4 +ATOM 5504 H HB3 . ALA A 1 44 ? 4.148 6.952 11.523 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 4 +ATOM 5505 N N . ASN A 1 45 ? 4.419 4.099 10.105 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 4 +ATOM 5506 C CA . ASN A 1 45 ? 3.607 3.214 9.282 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 4 +ATOM 5507 C C . ASN A 1 45 ? 4.374 1.965 8.893 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 4 +ATOM 5508 O O . ASN A 1 45 ? 3.801 1.039 8.334 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 4 +ATOM 5509 C CB . ASN A 1 45 ? 3.142 3.917 7.988 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 4 +ATOM 5510 C CG . ASN A 1 45 ? 2.136 5.029 8.202 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 4 +ATOM 5511 O OD1 . ASN A 1 45 ? 1.352 5.011 9.156 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 4 +ATOM 5512 N ND2 . ASN A 1 45 ? 2.130 5.993 7.312 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 4 +ATOM 5513 H H . ASN A 1 45 ? 5.134 4.618 9.673 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 4 +ATOM 5514 H HA . ASN A 1 45 ? 2.731 2.933 9.847 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 4 +ATOM 5515 H HB2 . ASN A 1 45 ? 4.002 4.347 7.500 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 4 +ATOM 5516 H HB3 . ASN A 1 45 ? 2.703 3.180 7.331 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 4 +ATOM 5517 H HD21 . ASN A 1 45 ? 2.764 5.948 6.566 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 4 +ATOM 5518 H HD22 . ASN A 1 45 ? 1.476 6.718 7.414 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 4 +ATOM 5519 N N . LYS A 1 46 ? 5.659 1.931 9.192 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 4 +ATOM 5520 C CA . LYS A 1 46 ? 6.511 0.890 8.742 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 4 +ATOM 5521 C C . LYS A 1 46 ? 6.315 -0.405 9.518 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 4 +ATOM 5522 O O . LYS A 1 46 ? 6.200 -0.409 10.750 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 4 +ATOM 5523 C CB . LYS A 1 46 ? 7.948 1.360 8.820 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 4 +ATOM 5524 C CG . LYS A 1 46 ? 8.832 0.618 7.891 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 4 +ATOM 5525 C CD . LYS A 1 46 ? 10.230 1.210 7.817 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 4 +ATOM 5526 C CE . LYS A 1 46 ? 11.014 0.572 6.680 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 4 +ATOM 5527 N NZ . LYS A 1 46 ? 12.339 1.184 6.465 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 4 +ATOM 5528 H H . LYS A 1 46 ? 6.102 2.610 9.735 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 4 +ATOM 5529 H HA . LYS A 1 46 ? 6.283 0.710 7.703 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 4 +ATOM 5530 H HB2 . LYS A 1 46 ? 7.982 2.405 8.552 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 4 +ATOM 5531 H HB3 . LYS A 1 46 ? 8.309 1.223 9.827 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 4 +ATOM 5532 H HG2 . LYS A 1 46 ? 8.847 -0.409 8.216 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 4 +ATOM 5533 H HG3 . LYS A 1 46 ? 8.332 0.714 6.941 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 4 +ATOM 5534 H HD2 . LYS A 1 46 ? 10.164 2.274 7.649 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 4 +ATOM 5535 H HD3 . LYS A 1 46 ? 10.739 1.013 8.748 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 4 +ATOM 5536 H HE2 . LYS A 1 46 ? 11.150 -0.477 6.882 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 4 +ATOM 5537 H HE3 . LYS A 1 46 ? 10.434 0.682 5.775 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 4 +ATOM 5538 H HZ1 . LYS A 1 46 ? 12.948 1.151 7.306 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 4 +ATOM 5539 H HZ2 . LYS A 1 46 ? 12.257 2.179 6.177 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 4 +ATOM 5540 H HZ3 . LYS A 1 46 ? 12.828 0.681 5.690 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 4 +ATOM 5541 N N . LEU A 1 47 ? 6.282 -1.482 8.781 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 4 +ATOM 5542 C CA . LEU A 1 47 ? 6.119 -2.810 9.308 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 4 +ATOM 5543 C C . LEU A 1 47 ? 7.440 -3.325 9.808 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 4 +ATOM 5544 O O . LEU A 1 47 ? 8.485 -3.116 9.172 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 4 +ATOM 5545 C CB . LEU A 1 47 ? 5.583 -3.750 8.236 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 4 +ATOM 5546 C CG . LEU A 1 47 ? 4.187 -3.454 7.713 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 4 +ATOM 5547 C CD1 . LEU A 1 47 ? 3.804 -4.434 6.635 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 4 +ATOM 5548 C CD2 . LEU A 1 47 ? 3.190 -3.530 8.826 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 4 +ATOM 5549 H H . LEU A 1 47 ? 6.397 -1.378 7.808 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 4 +ATOM 5550 H HA . LEU A 1 47 ? 5.411 -2.767 10.120 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 4 +ATOM 5551 H HB2 . LEU A 1 47 ? 6.259 -3.698 7.395 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 4 +ATOM 5552 H HB3 . LEU A 1 47 ? 5.595 -4.758 8.625 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 4 +ATOM 5553 H HG . LEU A 1 47 ? 4.156 -2.457 7.300 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 4 +ATOM 5554 H HD11 . LEU A 1 47 ? 4.493 -4.361 5.808 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 4 +ATOM 5555 H HD12 . LEU A 1 47 ? 2.803 -4.202 6.303 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 4 +ATOM 5556 H HD13 . LEU A 1 47 ? 3.824 -5.434 7.042 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 4 +ATOM 5557 H HD21 . LEU A 1 47 ? 3.374 -2.750 9.550 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 4 +ATOM 5558 H HD22 . LEU A 1 47 ? 3.258 -4.496 9.304 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 4 +ATOM 5559 H HD23 . LEU A 1 47 ? 2.211 -3.405 8.391 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 4 +ATOM 5560 N N . ARG A 1 48 ? 7.404 -3.988 10.918 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 4 +ATOM 5561 C CA . ARG A 1 48 ? 8.579 -4.502 11.527 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 4 +ATOM 5562 C C . ARG A 1 48 ? 8.814 -5.932 11.043 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 4 +ATOM 5563 O O . ARG A 1 48 ? 7.945 -6.802 11.185 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 4 +ATOM 5564 C CB . ARG A 1 48 ? 8.421 -4.474 13.047 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 4 +ATOM 5565 C CG . ARG A 1 48 ? 7.965 -3.129 13.635 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 4 +ATOM 5566 C CD . ARG A 1 48 ? 8.859 -1.957 13.224 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 4 +ATOM 5567 N NE . ARG A 1 48 ? 10.252 -2.144 13.622 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 4 +ATOM 5568 C CZ . ARG A 1 48 ? 11.051 -1.202 14.142 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 4 +ATOM 5569 N NH1 . ARG A 1 48 ? 10.587 0.018 14.428 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 4 +ATOM 5570 N NH2 . ARG A 1 48 ? 12.311 -1.485 14.371 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 4 +ATOM 5571 H H . ARG A 1 48 ? 6.546 -4.159 11.364 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 4 +ATOM 5572 H HA . ARG A 1 48 ? 9.411 -3.874 11.248 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 4 +ATOM 5573 H HB2 . ARG A 1 48 ? 7.697 -5.225 13.325 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 4 +ATOM 5574 H HB3 . ARG A 1 48 ? 9.368 -4.735 13.484 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 4 +ATOM 5575 H HG2 . ARG A 1 48 ? 6.960 -2.922 13.299 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 4 +ATOM 5576 H HG3 . ARG A 1 48 ? 7.966 -3.210 14.713 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 4 +ATOM 5577 H HD2 . ARG A 1 48 ? 8.819 -1.849 12.151 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 4 +ATOM 5578 H HD3 . ARG A 1 48 ? 8.482 -1.055 13.682 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 4 +ATOM 5579 H HE . ARG A 1 48 ? 10.617 -3.045 13.456 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 4 +ATOM 5580 H HH11 . ARG A 1 48 ? 9.638 0.298 14.264 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 4 +ATOM 5581 H HH12 . ARG A 1 48 ? 11.183 0.715 14.838 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 4 +ATOM 5582 H HH21 . ARG A 1 48 ? 12.687 -2.394 14.158 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 4 +ATOM 5583 H HH22 . ARG A 1 48 ? 12.957 -0.817 14.748 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 4 +ATOM 5584 N N . GLY A 1 49 ? 9.956 -6.169 10.437 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 4 +ATOM 5585 C CA . GLY A 1 49 ? 10.268 -7.500 9.946 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 4 +ATOM 5586 C C . GLY A 1 49 ? 9.775 -7.712 8.534 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 4 +ATOM 5587 O O . GLY A 1 49 ? 9.651 -8.838 8.068 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 4 +ATOM 5588 H H . GLY A 1 49 ? 10.606 -5.440 10.313 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 4 +ATOM 5589 H HA2 . GLY A 1 49 ? 11.338 -7.642 9.969 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 4 +ATOM 5590 H HA3 . GLY A 1 49 ? 9.803 -8.231 10.592 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 4 +ATOM 5591 N N . MET A 1 50 ? 9.470 -6.638 7.874 1.00 0.00 ? ? ? ? ? ? 47 MET A N 4 +ATOM 5592 C CA . MET A 1 50 ? 9.013 -6.664 6.506 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 4 +ATOM 5593 C C . MET A 1 50 ? 9.895 -5.743 5.709 1.00 0.00 ? ? ? ? ? ? 47 MET A C 4 +ATOM 5594 O O . MET A 1 50 ? 10.135 -4.614 6.152 1.00 0.00 ? ? ? ? ? ? 47 MET A O 4 +ATOM 5595 C CB . MET A 1 50 ? 7.555 -6.203 6.410 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 4 +ATOM 5596 C CG . MET A 1 50 ? 6.522 -7.198 6.929 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 4 +ATOM 5597 S SD . MET A 1 50 ? 6.318 -8.642 5.851 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 4 +ATOM 5598 C CE . MET A 1 50 ? 5.677 -7.871 4.351 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 4 +ATOM 5599 H H . MET A 1 50 ? 9.582 -5.766 8.306 1.00 0.00 ? ? ? ? ? ? 47 MET A H 4 +ATOM 5600 H HA . MET A 1 50 ? 9.101 -7.676 6.139 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 4 +ATOM 5601 H HB2 . MET A 1 50 ? 7.457 -5.295 6.984 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 4 +ATOM 5602 H HB3 . MET A 1 50 ? 7.334 -5.985 5.377 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 4 +ATOM 5603 H HG2 . MET A 1 50 ? 6.840 -7.541 7.902 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 4 +ATOM 5604 H HG3 . MET A 1 50 ? 5.571 -6.698 7.023 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 4 +ATOM 5605 H HE1 . MET A 1 50 ? 6.402 -7.179 3.950 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 4 +ATOM 5606 H HE2 . MET A 1 50 ? 4.768 -7.334 4.580 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 4 +ATOM 5607 H HE3 . MET A 1 50 ? 5.461 -8.629 3.612 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 4 +ATOM 5608 N N . PRO A 1 51 ? 10.413 -6.203 4.550 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 4 +ATOM 5609 C CA . PRO A 1 51 ? 11.320 -5.416 3.706 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 4 +ATOM 5610 C C . PRO A 1 51 ? 10.716 -4.085 3.237 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 4 +ATOM 5611 O O . PRO A 1 51 ? 9.986 -4.028 2.239 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 4 +ATOM 5612 C CB . PRO A 1 51 ? 11.635 -6.336 2.514 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 4 +ATOM 5613 C CG . PRO A 1 51 ? 10.576 -7.388 2.540 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 4 +ATOM 5614 C CD . PRO A 1 51 ? 10.164 -7.541 3.977 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 4 +ATOM 5615 H HA . PRO A 1 51 ? 12.232 -5.196 4.242 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 4 +ATOM 5616 H HB2 . PRO A 1 51 ? 11.607 -5.764 1.599 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 4 +ATOM 5617 H HB3 . PRO A 1 51 ? 12.618 -6.767 2.641 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 4 +ATOM 5618 H HG2 . PRO A 1 51 ? 9.732 -7.075 1.944 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 4 +ATOM 5619 H HG3 . PRO A 1 51 ? 10.974 -8.318 2.164 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 4 +ATOM 5620 H HD2 . PRO A 1 51 ? 9.118 -7.803 4.038 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 4 +ATOM 5621 H HD3 . PRO A 1 51 ? 10.770 -8.290 4.466 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 4 +ATOM 5622 N N . ASP A 1 52 ? 10.951 -3.057 4.054 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 4 +ATOM 5623 C CA . ASP A 1 52 ? 10.539 -1.665 3.828 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 4 +ATOM 5624 C C . ASP A 1 52 ? 9.082 -1.544 3.456 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 4 +ATOM 5625 O O . ASP A 1 52 ? 8.702 -0.784 2.562 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 4 +ATOM 5626 C CB . ASP A 1 52 ? 11.455 -0.941 2.834 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 4 +ATOM 5627 C CG . ASP A 1 52 ? 12.875 -0.810 3.350 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 4 +ATOM 5628 O OD1 . ASP A 1 52 ? 13.076 -0.602 4.582 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 4 +ATOM 5629 O OD2 . ASP A 1 52 ? 13.823 -0.893 2.541 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 4 +ATOM 5630 H H . ASP A 1 52 ? 11.423 -3.272 4.888 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 4 +ATOM 5631 H HA . ASP A 1 52 ? 10.636 -1.177 4.785 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 4 +ATOM 5632 H HB2 . ASP A 1 52 ? 11.480 -1.497 1.908 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 4 +ATOM 5633 H HB3 . ASP A 1 52 ? 11.063 0.047 2.646 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 4 +ATOM 5634 N N . CYS A 1 53 ? 8.263 -2.265 4.177 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 4 +ATOM 5635 C CA . CYS A 1 53 ? 6.849 -2.258 3.945 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 4 +ATOM 5636 C C . CYS A 1 53 ? 6.169 -1.351 4.958 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 4 +ATOM 5637 O O . CYS A 1 53 ? 6.593 -1.269 6.108 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 4 +ATOM 5638 C CB . CYS A 1 53 ? 6.304 -3.675 4.032 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 4 +ATOM 5639 S SG . CYS A 1 53 ? 7.117 -4.851 2.919 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 4 +ATOM 5640 H H . CYS A 1 53 ? 8.635 -2.819 4.896 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 4 +ATOM 5641 H HA . CYS A 1 53 ? 6.664 -1.868 2.959 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 4 +ATOM 5642 H HB2 . CYS A 1 53 ? 6.435 -4.036 5.041 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 4 +ATOM 5643 H HB3 . CYS A 1 53 ? 5.251 -3.666 3.790 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 4 +ATOM 5644 H HG . CYS A 1 53 ? 8.240 -4.288 2.482 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 4 +ATOM 5645 N N . TYR A 1 54 ? 5.162 -0.654 4.519 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 4 +ATOM 5646 C CA . TYR A 1 54 ? 4.433 0.285 5.335 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 4 +ATOM 5647 C C . TYR A 1 54 ? 2.948 -0.011 5.203 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 4 +ATOM 5648 O O . TYR A 1 54 ? 2.508 -0.556 4.180 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 4 +ATOM 5649 C CB . TYR A 1 54 ? 4.708 1.741 4.885 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 4 +ATOM 5650 C CG . TYR A 1 54 ? 6.163 2.204 4.963 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 4 +ATOM 5651 C CD1 . TYR A 1 54 ? 7.120 1.729 4.079 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 4 +ATOM 5652 C CD2 . TYR A 1 54 ? 6.570 3.116 5.918 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 4 +ATOM 5653 C CE1 . TYR A 1 54 ? 8.434 2.143 4.146 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 4 +ATOM 5654 C CE2 . TYR A 1 54 ? 7.887 3.538 5.992 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 4 +ATOM 5655 C CZ . TYR A 1 54 ? 8.812 3.045 5.100 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 4 +ATOM 5656 O OH . TYR A 1 54 ? 10.129 3.451 5.174 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 4 +ATOM 5657 H H . TYR A 1 54 ? 4.869 -0.775 3.588 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 4 +ATOM 5658 H HA . TYR A 1 54 ? 4.735 0.166 6.364 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 4 +ATOM 5659 H HB2 . TYR A 1 54 ? 4.392 1.850 3.859 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 4 +ATOM 5660 H HB3 . TYR A 1 54 ? 4.115 2.406 5.496 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 4 +ATOM 5661 H HD1 . TYR A 1 54 ? 6.822 1.016 3.324 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 4 +ATOM 5662 H HD2 . TYR A 1 54 ? 5.845 3.501 6.619 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 4 +ATOM 5663 H HE1 . TYR A 1 54 ? 9.160 1.756 3.447 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 4 +ATOM 5664 H HE2 . TYR A 1 54 ? 8.184 4.251 6.746 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 4 +ATOM 5665 H HH . TYR A 1 54 ? 10.460 3.620 4.285 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 4 +ATOM 5666 N N . LYS A 1 55 ? 2.201 0.325 6.221 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 4 +ATOM 5667 C CA . LYS A 1 55 ? 0.773 0.115 6.248 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 4 +ATOM 5668 C C . LYS A 1 55 ? 0.069 1.431 6.562 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 4 +ATOM 5669 O O . LYS A 1 55 ? 0.532 2.210 7.402 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 4 +ATOM 5670 C CB . LYS A 1 55 ? 0.412 -0.938 7.332 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 4 +ATOM 5671 C CG . LYS A 1 55 ? 0.843 -0.525 8.743 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 4 +ATOM 5672 C CD . LYS A 1 55 ? 0.552 -1.580 9.806 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 4 +ATOM 5673 C CE . LYS A 1 55 ? 1.232 -1.210 11.118 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 4 +ATOM 5674 N NZ . LYS A 1 55 ? 1.035 -2.228 12.172 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 4 +ATOM 5675 H H . LYS A 1 55 ? 2.625 0.745 7.002 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 4 +ATOM 5676 H HA . LYS A 1 55 ? 0.454 -0.252 5.284 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 4 +ATOM 5677 H HB2 . LYS A 1 55 ? -0.657 -1.092 7.329 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 4 +ATOM 5678 H HB3 . LYS A 1 55 ? 0.900 -1.870 7.090 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 4 +ATOM 5679 H HG2 . LYS A 1 55 ? 1.897 -0.295 8.747 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 4 +ATOM 5680 H HG3 . LYS A 1 55 ? 0.277 0.367 8.973 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 4 +ATOM 5681 H HD2 . LYS A 1 55 ? -0.514 -1.631 9.971 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 4 +ATOM 5682 H HD3 . LYS A 1 55 ? 0.905 -2.548 9.485 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 4 +ATOM 5683 H HE2 . LYS A 1 55 ? 2.292 -1.098 10.941 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 4 +ATOM 5684 H HE3 . LYS A 1 55 ? 0.827 -0.267 11.451 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 4 +ATOM 5685 H HZ1 . LYS A 1 55 ? 0.030 -2.345 12.403 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 4 +ATOM 5686 H HZ2 . LYS A 1 55 ? 1.512 -1.945 13.051 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 4 +ATOM 5687 H HZ3 . LYS A 1 55 ? 1.414 -3.155 11.891 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 4 +ATOM 5688 N N . ILE A 1 56 ? -1.016 1.679 5.907 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 4 +ATOM 5689 C CA . ILE A 1 56 ? -1.842 2.838 6.180 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 4 +ATOM 5690 C C . ILE A 1 56 ? -3.246 2.333 6.452 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 4 +ATOM 5691 O O . ILE A 1 56 ? -3.665 1.329 5.858 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 4 +ATOM 5692 C CB . ILE A 1 56 ? -1.865 3.861 4.981 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 4 +ATOM 5693 C CG1 . ILE A 1 56 ? -0.448 4.389 4.681 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 4 +ATOM 5694 C CG2 . ILE A 1 56 ? -2.810 5.038 5.271 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 4 +ATOM 5695 C CD1 . ILE A 1 56 ? -0.375 5.355 3.514 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 4 +ATOM 5696 H H . ILE A 1 56 ? -1.293 1.053 5.198 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 4 +ATOM 5697 H HA . ILE A 1 56 ? -1.462 3.322 7.069 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 4 +ATOM 5698 H HB . ILE A 1 56 ? -2.237 3.342 4.109 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 4 +ATOM 5699 H HG12 . ILE A 1 56 ? -0.094 4.932 5.544 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 4 +ATOM 5700 H HG13 . ILE A 1 56 ? 0.213 3.560 4.475 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 4 +ATOM 5701 H HG21 . ILE A 1 56 ? -2.809 5.714 4.429 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 4 +ATOM 5702 H HG22 . ILE A 1 56 ? -2.477 5.570 6.150 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 4 +ATOM 5703 H HG23 . ILE A 1 56 ? -3.814 4.676 5.437 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 4 +ATOM 5704 H HD11 . ILE A 1 56 ? 0.654 5.633 3.338 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 4 +ATOM 5705 H HD12 . ILE A 1 56 ? -0.941 6.240 3.759 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 4 +ATOM 5706 H HD13 . ILE A 1 56 ? -0.786 4.893 2.629 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 4 +ATOM 5707 N N . LYS A 1 57 ? -3.952 2.975 7.349 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 4 +ATOM 5708 C CA . LYS A 1 57 ? -5.298 2.574 7.645 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 4 +ATOM 5709 C C . LYS A 1 57 ? -6.243 3.743 7.432 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 4 +ATOM 5710 O O . LYS A 1 57 ? -5.903 4.899 7.733 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 4 +ATOM 5711 C CB . LYS A 1 57 ? -5.490 1.937 9.060 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 4 +ATOM 5712 C CG . LYS A 1 57 ? -5.288 2.863 10.254 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 4 +ATOM 5713 C CD . LYS A 1 57 ? -3.838 3.234 10.461 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 4 +ATOM 5714 C CE . LYS A 1 57 ? -3.722 4.307 11.492 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 4 +ATOM 5715 N NZ . LYS A 1 57 ? -2.328 4.755 11.684 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 4 +ATOM 5716 H H . LYS A 1 57 ? -3.587 3.777 7.777 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 4 +ATOM 5717 H HA . LYS A 1 57 ? -5.496 1.825 6.899 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 4 +ATOM 5718 H HB2 . LYS A 1 57 ? -6.498 1.553 9.122 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 4 +ATOM 5719 H HB3 . LYS A 1 57 ? -4.806 1.108 9.153 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 4 +ATOM 5720 H HG2 . LYS A 1 57 ? -5.854 3.766 10.085 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 4 +ATOM 5721 H HG3 . LYS A 1 57 ? -5.660 2.374 11.142 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 4 +ATOM 5722 H HD2 . LYS A 1 57 ? -3.300 2.363 10.803 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 4 +ATOM 5723 H HD3 . LYS A 1 57 ? -3.406 3.584 9.538 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 4 +ATOM 5724 H HE2 . LYS A 1 57 ? -4.320 5.124 11.119 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 4 +ATOM 5725 H HE3 . LYS A 1 57 ? -4.135 3.941 12.418 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 4 +ATOM 5726 H HZ1 . LYS A 1 57 ? -2.280 5.502 12.405 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 4 +ATOM 5727 H HZ2 . LYS A 1 57 ? -1.932 5.138 10.804 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 4 +ATOM 5728 H HZ3 . LYS A 1 57 ? -1.724 3.968 11.993 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 4 +ATOM 5729 N N . LEU A 1 58 ? -7.383 3.450 6.885 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 4 +ATOM 5730 C CA . LEU A 1 58 ? -8.404 4.425 6.603 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 4 +ATOM 5731 C C . LEU A 1 58 ? -9.197 4.632 7.912 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 4 +ATOM 5732 O O . LEU A 1 58 ? -9.481 3.662 8.625 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 4 +ATOM 5733 C CB . LEU A 1 58 ? -9.279 3.844 5.468 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 4 +ATOM 5734 C CG . LEU A 1 58 ? -10.052 4.796 4.538 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 4 +ATOM 5735 C CD1 . LEU A 1 58 ? -10.717 3.989 3.440 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 4 +ATOM 5736 C CD2 . LEU A 1 58 ? -11.101 5.602 5.269 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 4 +ATOM 5737 H H . LEU A 1 58 ? -7.563 2.510 6.652 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 4 +ATOM 5738 H HA . LEU A 1 58 ? -7.944 5.349 6.288 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 4 +ATOM 5739 H HB2 . LEU A 1 58 ? -8.639 3.242 4.840 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 4 +ATOM 5740 H HB3 . LEU A 1 58 ? -9.993 3.178 5.930 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 4 +ATOM 5741 H HG . LEU A 1 58 ? -9.349 5.470 4.070 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 4 +ATOM 5742 H HD11 . LEU A 1 58 ? -9.965 3.479 2.859 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 4 +ATOM 5743 H HD12 . LEU A 1 58 ? -11.288 4.645 2.800 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 4 +ATOM 5744 H HD13 . LEU A 1 58 ? -11.376 3.260 3.888 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 4 +ATOM 5745 H HD21 . LEU A 1 58 ? -11.829 4.936 5.706 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 4 +ATOM 5746 H HD22 . LEU A 1 58 ? -11.586 6.258 4.560 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 4 +ATOM 5747 H HD23 . LEU A 1 58 ? -10.625 6.186 6.042 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 4 +ATOM 5748 N N . ARG A 1 59 ? -9.515 5.882 8.241 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 4 +ATOM 5749 C CA . ARG A 1 59 ? -10.146 6.201 9.524 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 4 +ATOM 5750 C C . ARG A 1 59 ? -11.623 5.809 9.607 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 4 +ATOM 5751 O O . ARG A 1 59 ? -12.014 5.062 10.514 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 4 +ATOM 5752 C CB . ARG A 1 59 ? -9.977 7.684 9.885 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 4 +ATOM 5753 C CG . ARG A 1 59 ? -8.537 8.144 10.099 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 4 +ATOM 5754 C CD . ARG A 1 59 ? -7.821 7.328 11.165 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 4 +ATOM 5755 N NE . ARG A 1 59 ? -8.547 7.297 12.446 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 4 +ATOM 5756 C CZ . ARG A 1 59 ? -8.010 6.911 13.612 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 4 +ATOM 5757 N NH1 . ARG A 1 59 ? -6.698 6.700 13.709 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 4 +ATOM 5758 N NH2 . ARG A 1 59 ? -8.778 6.770 14.689 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 4 +ATOM 5759 H H . ARG A 1 59 ? -9.322 6.608 7.610 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 4 +ATOM 5760 H HA . ARG A 1 59 ? -9.625 5.622 10.272 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 4 +ATOM 5761 H HB2 . ARG A 1 59 ? -10.398 8.280 9.090 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 4 +ATOM 5762 H HB3 . ARG A 1 59 ? -10.535 7.886 10.785 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 4 +ATOM 5763 H HG2 . ARG A 1 59 ? -7.994 8.039 9.172 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 4 +ATOM 5764 H HG3 . ARG A 1 59 ? -8.546 9.182 10.396 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 4 +ATOM 5765 H HD2 . ARG A 1 59 ? -7.698 6.317 10.808 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 4 +ATOM 5766 H HD3 . ARG A 1 59 ? -6.846 7.760 11.328 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 4 +ATOM 5767 H HE . ARG A 1 59 ? -9.502 7.532 12.395 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 4 +ATOM 5768 H HH11 . ARG A 1 59 ? -6.071 6.821 12.937 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 4 +ATOM 5769 H HH12 . ARG A 1 59 ? -6.274 6.413 14.573 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 4 +ATOM 5770 H HH21 . ARG A 1 59 ? -9.769 6.940 14.685 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 4 +ATOM 5771 H HH22 . ARG A 1 59 ? -8.384 6.464 15.561 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 4 +ATOM 5772 N N . SER A 1 60 ? -12.425 6.331 8.690 1.00 0.00 ? ? ? ? ? ? 57 SER A N 4 +ATOM 5773 C CA . SER A 1 60 ? -13.865 6.116 8.678 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 4 +ATOM 5774 C C . SER A 1 60 ? -14.189 4.628 8.518 1.00 0.00 ? ? ? ? ? ? 57 SER A C 4 +ATOM 5775 O O . SER A 1 60 ? -14.773 4.004 9.407 1.00 0.00 ? ? ? ? ? ? 57 SER A O 4 +ATOM 5776 C CB . SER A 1 60 ? -14.496 6.949 7.543 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 4 +ATOM 5777 O OG . SER A 1 60 ? -15.911 6.876 7.550 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 4 +ATOM 5778 H H . SER A 1 60 ? -12.031 6.894 7.991 1.00 0.00 ? ? ? ? ? ? 57 SER A H 4 +ATOM 5779 H HA . SER A 1 60 ? -14.262 6.460 9.623 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 4 +ATOM 5780 H HB2 . SER A 1 60 ? -14.209 7.982 7.659 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 4 +ATOM 5781 H HB3 . SER A 1 60 ? -14.132 6.584 6.594 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 4 +ATOM 5782 H HG . SER A 1 60 ? -16.196 7.317 8.359 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 4 +ATOM 5783 N N . SER A 1 61 ? -13.816 4.083 7.405 1.00 0.00 ? ? ? ? ? ? 58 SER A N 4 +ATOM 5784 C CA . SER A 1 61 ? -13.986 2.696 7.149 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 4 +ATOM 5785 C C . SER A 1 61 ? -12.638 2.023 7.301 1.00 0.00 ? ? ? ? ? ? 58 SER A C 4 +ATOM 5786 O O . SER A 1 61 ? -11.685 2.420 6.635 1.00 0.00 ? ? ? ? ? ? 58 SER A O 4 +ATOM 5787 C CB . SER A 1 61 ? -14.571 2.533 5.751 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 4 +ATOM 5788 O OG . SER A 1 61 ? -13.913 3.407 4.828 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 4 +ATOM 5789 H H . SER A 1 61 ? -13.395 4.619 6.704 1.00 0.00 ? ? ? ? ? ? 58 SER A H 4 +ATOM 5790 H HA . SER A 1 61 ? -14.675 2.295 7.877 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 4 +ATOM 5791 H HB2 . SER A 1 61 ? -14.442 1.513 5.421 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 4 +ATOM 5792 H HB3 . SER A 1 61 ? -15.621 2.780 5.772 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 4 +ATOM 5793 H HG . SER A 1 61 ? -12.982 3.155 4.824 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 4 +ATOM 5794 N N . GLY A 1 62 ? -12.563 1.042 8.176 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 4 +ATOM 5795 C CA . GLY A 1 62 ? -11.318 0.391 8.518 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 4 +ATOM 5796 C C . GLY A 1 62 ? -10.756 -0.498 7.433 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 4 +ATOM 5797 O O . GLY A 1 62 ? -10.837 -1.726 7.513 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 4 +ATOM 5798 H H . GLY A 1 62 ? -13.391 0.725 8.596 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 4 +ATOM 5799 H HA2 . GLY A 1 62 ? -10.585 1.152 8.743 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 4 +ATOM 5800 H HA3 . GLY A 1 62 ? -11.473 -0.203 9.407 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 4 +ATOM 5801 N N . TYR A 1 63 ? -10.234 0.121 6.419 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 4 +ATOM 5802 C CA . TYR A 1 63 ? -9.534 -0.549 5.367 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 4 +ATOM 5803 C C . TYR A 1 63 ? -8.079 -0.227 5.500 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 4 +ATOM 5804 O O . TYR A 1 63 ? -7.716 0.879 5.914 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 4 +ATOM 5805 C CB . TYR A 1 63 ? -10.052 -0.147 3.990 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 4 +ATOM 5806 C CG . TYR A 1 63 ? -11.407 -0.715 3.665 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 4 +ATOM 5807 C CD1 . TYR A 1 63 ? -12.569 -0.033 3.986 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 4 +ATOM 5808 C CD2 . TYR A 1 63 ? -11.521 -1.941 3.030 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 4 +ATOM 5809 C CE1 . TYR A 1 63 ? -13.805 -0.557 3.680 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 4 +ATOM 5810 C CE2 . TYR A 1 63 ? -12.753 -2.472 2.723 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 4 +ATOM 5811 C CZ . TYR A 1 63 ? -13.889 -1.778 3.052 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 4 +ATOM 5812 O OH . TYR A 1 63 ? -15.124 -2.306 2.747 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 4 +ATOM 5813 H H . TYR A 1 63 ? -10.328 1.098 6.392 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 4 +ATOM 5814 H HA . TYR A 1 63 ? -9.679 -1.611 5.512 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 4 +ATOM 5815 H HB2 . TYR A 1 63 ? -10.121 0.930 3.944 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 4 +ATOM 5816 H HB3 . TYR A 1 63 ? -9.355 -0.487 3.238 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 4 +ATOM 5817 H HD1 . TYR A 1 63 ? -12.495 0.925 4.480 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 4 +ATOM 5818 H HD2 . TYR A 1 63 ? -10.624 -2.484 2.776 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 4 +ATOM 5819 H HE1 . TYR A 1 63 ? -14.704 -0.016 3.935 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 4 +ATOM 5820 H HE2 . TYR A 1 63 ? -12.819 -3.430 2.229 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 4 +ATOM 5821 H HH . TYR A 1 63 ? -15.582 -1.644 2.212 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 4 +ATOM 5822 N N . ARG A 1 64 ? -7.255 -1.166 5.192 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 4 +ATOM 5823 C CA . ARG A 1 64 ? -5.850 -1.025 5.368 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 4 +ATOM 5824 C C . ARG A 1 64 ? -5.150 -1.307 4.062 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 4 +ATOM 5825 O O . ARG A 1 64 ? -5.650 -2.074 3.227 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 4 +ATOM 5826 C CB . ARG A 1 64 ? -5.390 -2.004 6.437 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 4 +ATOM 5827 C CG . ARG A 1 64 ? -6.129 -1.839 7.758 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 4 +ATOM 5828 C CD . ARG A 1 64 ? -5.768 -2.922 8.727 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 4 +ATOM 5829 N NE . ARG A 1 64 ? -4.354 -2.886 9.075 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 4 +ATOM 5830 C CZ . ARG A 1 64 ? -3.690 -3.848 9.715 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 4 +ATOM 5831 N NH1 . ARG A 1 64 ? -4.335 -4.903 10.230 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 4 +ATOM 5832 N NH2 . ARG A 1 64 ? -2.394 -3.724 9.874 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 4 +ATOM 5833 H H . ARG A 1 64 ? -7.581 -2.009 4.806 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 4 +ATOM 5834 H HA . ARG A 1 64 ? -5.630 -0.021 5.699 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 4 +ATOM 5835 H HB2 . ARG A 1 64 ? -5.555 -3.009 6.079 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 4 +ATOM 5836 H HB3 . ARG A 1 64 ? -4.334 -1.861 6.616 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 4 +ATOM 5837 H HG2 . ARG A 1 64 ? -5.870 -0.882 8.188 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 4 +ATOM 5838 H HG3 . ARG A 1 64 ? -7.193 -1.874 7.568 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 4 +ATOM 5839 H HD2 . ARG A 1 64 ? -6.376 -2.820 9.612 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 4 +ATOM 5840 H HD3 . ARG A 1 64 ? -5.987 -3.864 8.249 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 4 +ATOM 5841 H HE . ARG A 1 64 ? -3.886 -2.075 8.770 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 4 +ATOM 5842 H HH11 . ARG A 1 64 ? -5.328 -5.004 10.158 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 4 +ATOM 5843 H HH12 . ARG A 1 64 ? -3.856 -5.647 10.711 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 4 +ATOM 5844 H HH21 . ARG A 1 64 ? -1.907 -2.920 9.533 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 4 +ATOM 5845 H HH22 . ARG A 1 64 ? -1.835 -4.433 10.331 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 4 +ATOM 5846 N N . LEU A 1 65 ? -4.033 -0.692 3.873 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 4 +ATOM 5847 C CA . LEU A 1 65 ? -3.272 -0.870 2.678 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 4 +ATOM 5848 C C . LEU A 1 65 ? -1.808 -1.062 3.062 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 4 +ATOM 5849 O O . LEU A 1 65 ? -1.287 -0.332 3.907 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 4 +ATOM 5850 C CB . LEU A 1 65 ? -3.514 0.349 1.749 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 4 +ATOM 5851 C CG . LEU A 1 65 ? -2.929 0.316 0.325 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 4 +ATOM 5852 C CD1 . LEU A 1 65 ? -3.629 1.344 -0.538 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 4 +ATOM 5853 C CD2 . LEU A 1 65 ? -1.453 0.630 0.341 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 4 +ATOM 5854 H H . LEU A 1 65 ? -3.696 -0.078 4.564 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 4 +ATOM 5855 H HA . LEU A 1 65 ? -3.624 -1.767 2.189 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 4 +ATOM 5856 H HB2 . LEU A 1 65 ? -4.583 0.475 1.661 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 4 +ATOM 5857 H HB3 . LEU A 1 65 ? -3.123 1.221 2.252 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 4 +ATOM 5858 H HG . LEU A 1 65 ? -3.072 -0.661 -0.112 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 4 +ATOM 5859 H HD11 . LEU A 1 65 ? -4.686 1.122 -0.578 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 4 +ATOM 5860 H HD12 . LEU A 1 65 ? -3.222 1.300 -1.537 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 4 +ATOM 5861 H HD13 . LEU A 1 65 ? -3.482 2.331 -0.124 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 4 +ATOM 5862 H HD21 . LEU A 1 65 ? -1.076 0.660 -0.669 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 4 +ATOM 5863 H HD22 . LEU A 1 65 ? -0.931 -0.134 0.899 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 4 +ATOM 5864 H HD23 . LEU A 1 65 ? -1.309 1.590 0.814 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 4 +ATOM 5865 N N . VAL A 1 66 ? -1.179 -2.062 2.473 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 4 +ATOM 5866 C CA . VAL A 1 66 ? 0.203 -2.405 2.752 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 4 +ATOM 5867 C C . VAL A 1 66 ? 1.019 -2.320 1.461 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 4 +ATOM 5868 O O . VAL A 1 66 ? 0.652 -2.929 0.427 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 4 +ATOM 5869 C CB . VAL A 1 66 ? 0.327 -3.843 3.351 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 4 +ATOM 5870 C CG1 . VAL A 1 66 ? 1.780 -4.191 3.654 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 4 +ATOM 5871 C CG2 . VAL A 1 66 ? -0.520 -3.987 4.611 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 4 +ATOM 5872 H H . VAL A 1 66 ? -1.655 -2.587 1.789 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 4 +ATOM 5873 H HA . VAL A 1 66 ? 0.589 -1.692 3.466 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 4 +ATOM 5874 H HB . VAL A 1 66 ? -0.034 -4.544 2.615 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 4 +ATOM 5875 H HG11 . VAL A 1 66 ? 2.177 -3.479 4.364 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 4 +ATOM 5876 H HG12 . VAL A 1 66 ? 2.359 -4.152 2.744 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 4 +ATOM 5877 H HG13 . VAL A 1 66 ? 1.834 -5.184 4.075 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 4 +ATOM 5878 H HG21 . VAL A 1 66 ? -0.184 -3.276 5.352 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 4 +ATOM 5879 H HG22 . VAL A 1 66 ? -0.421 -4.990 5.001 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 4 +ATOM 5880 H HG23 . VAL A 1 66 ? -1.554 -3.795 4.370 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 4 +ATOM 5881 N N . TYR A 1 67 ? 2.100 -1.590 1.510 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 4 +ATOM 5882 C CA . TYR A 1 67 ? 2.947 -1.393 0.358 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 4 +ATOM 5883 C C . TYR A 1 67 ? 4.404 -1.472 0.749 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 4 +ATOM 5884 O O . TYR A 1 67 ? 4.731 -1.304 1.910 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 4 +ATOM 5885 C CB . TYR A 1 67 ? 2.649 -0.035 -0.315 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 4 +ATOM 5886 C CG . TYR A 1 67 ? 2.792 1.205 0.566 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 4 +ATOM 5887 C CD1 . TYR A 1 67 ? 4.035 1.682 0.964 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 4 +ATOM 5888 C CD2 . TYR A 1 67 ? 1.678 1.905 0.969 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 4 +ATOM 5889 C CE1 . TYR A 1 67 ? 4.150 2.811 1.738 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 4 +ATOM 5890 C CE2 . TYR A 1 67 ? 1.783 3.035 1.740 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 4 +ATOM 5891 C CZ . TYR A 1 67 ? 3.024 3.486 2.123 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 4 +ATOM 5892 O OH . TYR A 1 67 ? 3.137 4.612 2.900 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 4 +ATOM 5893 H H . TYR A 1 67 ? 2.357 -1.175 2.366 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 4 +ATOM 5894 H HA . TYR A 1 67 ? 2.734 -2.179 -0.351 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 4 +ATOM 5895 H HB2 . TYR A 1 67 ? 3.315 0.095 -1.154 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 4 +ATOM 5896 H HB3 . TYR A 1 67 ? 1.633 -0.058 -0.680 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 4 +ATOM 5897 H HD1 . TYR A 1 67 ? 4.921 1.145 0.658 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 4 +ATOM 5898 H HD2 . TYR A 1 67 ? 0.704 1.549 0.668 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 4 +ATOM 5899 H HE1 . TYR A 1 67 ? 5.127 3.162 2.035 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 4 +ATOM 5900 H HE2 . TYR A 1 67 ? 0.887 3.561 2.030 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 4 +ATOM 5901 H HH . TYR A 1 67 ? 3.826 5.170 2.531 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 4 +ATOM 5902 N N . GLN A 1 68 ? 5.256 -1.740 -0.196 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 4 +ATOM 5903 C CA . GLN A 1 68 ? 6.676 -1.718 0.047 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 4 +ATOM 5904 C C . GLN A 1 68 ? 7.271 -0.526 -0.664 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 4 +ATOM 5905 O O . GLN A 1 68 ? 6.834 -0.163 -1.758 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 4 +ATOM 5906 C CB . GLN A 1 68 ? 7.379 -3.015 -0.383 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 4 +ATOM 5907 C CG . GLN A 1 68 ? 7.283 -3.338 -1.873 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 4 +ATOM 5908 C CD . GLN A 1 68 ? 8.138 -4.529 -2.289 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 4 +ATOM 5909 O OE1 . GLN A 1 68 ? 7.788 -5.271 -3.211 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 4 +ATOM 5910 N NE2 . GLN A 1 68 ? 9.288 -4.687 -1.677 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 4 +ATOM 5911 H H . GLN A 1 68 ? 4.930 -1.928 -1.105 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 4 +ATOM 5912 H HA . GLN A 1 68 ? 6.822 -1.561 1.105 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 4 +ATOM 5913 H HB2 . GLN A 1 68 ? 8.421 -2.930 -0.117 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 4 +ATOM 5914 H HB3 . GLN A 1 68 ? 6.951 -3.837 0.172 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 4 +ATOM 5915 H HG2 . GLN A 1 68 ? 6.252 -3.551 -2.116 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 4 +ATOM 5916 H HG3 . GLN A 1 68 ? 7.607 -2.470 -2.427 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 4 +ATOM 5917 H HE21 . GLN A 1 68 ? 9.554 -4.035 -0.989 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 4 +ATOM 5918 H HE22 . GLN A 1 68 ? 9.845 -5.448 -1.934 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 4 +ATOM 5919 N N . VAL A 1 69 ? 8.202 0.114 -0.049 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 4 +ATOM 5920 C CA . VAL A 1 69 ? 8.841 1.241 -0.658 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 4 +ATOM 5921 C C . VAL A 1 69 ? 10.159 0.817 -1.244 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 4 +ATOM 5922 O O . VAL A 1 69 ? 11.090 0.447 -0.518 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 4 +ATOM 5923 C CB . VAL A 1 69 ? 9.047 2.412 0.342 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 4 +ATOM 5924 C CG1 . VAL A 1 69 ? 9.820 3.560 -0.300 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 4 +ATOM 5925 C CG2 . VAL A 1 69 ? 7.707 2.913 0.840 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 4 +ATOM 5926 H H . VAL A 1 69 ? 8.491 -0.190 0.842 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 4 +ATOM 5927 H HA . VAL A 1 69 ? 8.206 1.581 -1.463 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 4 +ATOM 5928 H HB . VAL A 1 69 ? 9.609 2.047 1.190 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 4 +ATOM 5929 H HG11 . VAL A 1 69 ? 9.950 4.352 0.422 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 4 +ATOM 5930 H HG12 . VAL A 1 69 ? 9.277 3.930 -1.157 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 4 +ATOM 5931 H HG13 . VAL A 1 69 ? 10.787 3.197 -0.615 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 4 +ATOM 5932 H HG21 . VAL A 1 69 ? 7.868 3.706 1.554 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 4 +ATOM 5933 H HG22 . VAL A 1 69 ? 7.178 2.101 1.317 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 4 +ATOM 5934 H HG23 . VAL A 1 69 ? 7.124 3.285 0.012 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 4 +ATOM 5935 N N . ILE A 1 70 ? 10.241 0.838 -2.545 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 4 +ATOM 5936 C CA . ILE A 1 70 ? 11.462 0.516 -3.195 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 4 +ATOM 5937 C C . ILE A 1 70 ? 12.210 1.817 -3.350 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 4 +ATOM 5938 O O . ILE A 1 70 ? 11.988 2.584 -4.312 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 4 +ATOM 5939 C CB . ILE A 1 70 ? 11.223 -0.109 -4.592 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 4 +ATOM 5940 C CG1 . ILE A 1 70 ? 10.223 -1.273 -4.492 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 4 +ATOM 5941 C CG2 . ILE A 1 70 ? 12.548 -0.597 -5.182 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 4 +ATOM 5942 C CD1 . ILE A 1 70 ? 9.840 -1.866 -5.831 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 4 +ATOM 5943 H H . ILE A 1 70 ? 9.469 1.099 -3.096 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 4 +ATOM 5944 H HA . ILE A 1 70 ? 12.026 -0.165 -2.576 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 4 +ATOM 5945 H HB . ILE A 1 70 ? 10.815 0.651 -5.241 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 4 +ATOM 5946 H HG12 . ILE A 1 70 ? 10.652 -2.060 -3.890 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 4 +ATOM 5947 H HG13 . ILE A 1 70 ? 9.323 -0.916 -4.015 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 4 +ATOM 5948 H HG21 . ILE A 1 70 ? 13.225 0.238 -5.286 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 4 +ATOM 5949 H HG22 . ILE A 1 70 ? 12.369 -1.037 -6.151 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 4 +ATOM 5950 H HG23 . ILE A 1 70 ? 12.984 -1.337 -4.528 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 4 +ATOM 5951 H HD11 . ILE A 1 70 ? 9.147 -2.682 -5.682 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 4 +ATOM 5952 H HD12 . ILE A 1 70 ? 10.729 -2.225 -6.329 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 4 +ATOM 5953 H HD13 . ILE A 1 70 ? 9.376 -1.106 -6.442 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 4 +ATOM 5954 N N . ASP A 1 71 ? 13.076 2.089 -2.404 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 4 +ATOM 5955 C CA . ASP A 1 71 ? 13.799 3.333 -2.366 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 4 +ATOM 5956 C C . ASP A 1 71 ? 14.832 3.381 -3.465 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 4 +ATOM 5957 O O . ASP A 1 71 ? 15.182 4.454 -3.943 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 4 +ATOM 5958 C CB . ASP A 1 71 ? 14.440 3.551 -0.997 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 4 +ATOM 5959 C CG . ASP A 1 71 ? 15.609 2.638 -0.702 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 4 +ATOM 5960 O OD1 . ASP A 1 71 ? 15.388 1.455 -0.357 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 4 +ATOM 5961 O OD2 . ASP A 1 71 ? 16.760 3.097 -0.803 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 4 +ATOM 5962 H H . ASP A 1 71 ? 13.225 1.449 -1.673 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 4 +ATOM 5963 H HA . ASP A 1 71 ? 13.087 4.123 -2.543 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 4 +ATOM 5964 H HB2 . ASP A 1 71 ? 14.793 4.566 -0.949 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 4 +ATOM 5965 H HB3 . ASP A 1 71 ? 13.686 3.400 -0.239 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 4 +ATOM 5966 N N . GLU A 1 72 ? 15.261 2.202 -3.891 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 4 +ATOM 5967 C CA . GLU A 1 72 ? 16.244 2.032 -4.970 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 4 +ATOM 5968 C C . GLU A 1 72 ? 15.716 2.647 -6.264 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 4 +ATOM 5969 O O . GLU A 1 72 ? 16.436 3.320 -6.997 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 4 +ATOM 5970 C CB . GLU A 1 72 ? 16.408 0.545 -5.263 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 4 +ATOM 5971 C CG . GLU A 1 72 ? 16.648 -0.349 -4.071 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 4 +ATOM 5972 C CD . GLU A 1 72 ? 16.576 -1.797 -4.474 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 4 +ATOM 5973 O OE1 . GLU A 1 72 ? 15.474 -2.320 -4.627 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 4 +ATOM 5974 O OE2 . GLU A 1 72 ? 17.634 -2.427 -4.689 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 4 +ATOM 5975 H H . GLU A 1 72 ? 14.916 1.416 -3.418 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 4 +ATOM 5976 H HA . GLU A 1 72 ? 17.200 2.443 -4.689 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 4 +ATOM 5977 H HB2 . GLU A 1 72 ? 15.513 0.194 -5.753 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 4 +ATOM 5978 H HB3 . GLU A 1 72 ? 17.235 0.423 -5.947 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 4 +ATOM 5979 H HG2 . GLU A 1 72 ? 17.629 -0.143 -3.668 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 4 +ATOM 5980 H HG3 . GLU A 1 72 ? 15.895 -0.159 -3.321 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 4 +ATOM 5981 N N . LYS A 1 73 ? 14.437 2.426 -6.506 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 4 +ATOM 5982 C CA . LYS A 1 73 ? 13.803 2.819 -7.751 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 4 +ATOM 5983 C C . LYS A 1 73 ? 12.915 4.032 -7.581 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 4 +ATOM 5984 O O . LYS A 1 73 ? 12.348 4.530 -8.560 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 4 +ATOM 5985 C CB . LYS A 1 73 ? 13.006 1.645 -8.323 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 4 +ATOM 5986 C CG . LYS A 1 73 ? 13.865 0.477 -8.775 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 4 +ATOM 5987 C CD . LYS A 1 73 ? 13.014 -0.694 -9.237 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 4 +ATOM 5988 C CE . LYS A 1 73 ? 13.866 -1.823 -9.804 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 4 +ATOM 5989 N NZ . LYS A 1 73 ? 14.837 -2.353 -8.823 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 4 +ATOM 5990 H H . LYS A 1 73 ? 13.908 1.981 -5.811 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 4 +ATOM 5991 H HA . LYS A 1 73 ? 14.587 3.061 -8.451 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 4 +ATOM 5992 H HB2 . LYS A 1 73 ? 12.340 1.281 -7.557 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 4 +ATOM 5993 H HB3 . LYS A 1 73 ? 12.426 1.987 -9.168 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 4 +ATOM 5994 H HG2 . LYS A 1 73 ? 14.492 0.796 -9.594 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 4 +ATOM 5995 H HG3 . LYS A 1 73 ? 14.486 0.157 -7.951 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 4 +ATOM 5996 H HD2 . LYS A 1 73 ? 12.452 -1.074 -8.396 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 4 +ATOM 5997 H HD3 . LYS A 1 73 ? 12.331 -0.353 -10.002 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 4 +ATOM 5998 H HE2 . LYS A 1 73 ? 13.220 -2.628 -10.119 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 4 +ATOM 5999 H HE3 . LYS A 1 73 ? 14.406 -1.445 -10.660 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 4 +ATOM 6000 H HZ1 . LYS A 1 73 ? 14.370 -2.675 -7.952 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 4 +ATOM 6001 H HZ2 . LYS A 1 73 ? 15.573 -1.656 -8.591 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 4 +ATOM 6002 H HZ3 . LYS A 1 73 ? 15.335 -3.168 -9.233 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 4 +ATOM 6003 N N . VAL A 1 74 ? 12.794 4.499 -6.340 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 4 +ATOM 6004 C CA . VAL A 1 74 ? 11.997 5.689 -5.996 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 4 +ATOM 6005 C C . VAL A 1 74 ? 10.489 5.405 -6.283 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 4 +ATOM 6006 O O . VAL A 1 74 ? 9.701 6.285 -6.616 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 4 +ATOM 6007 C CB . VAL A 1 74 ? 12.527 6.977 -6.770 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 4 +ATOM 6008 C CG1 . VAL A 1 74 ? 11.845 8.264 -6.306 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 4 +ATOM 6009 C CG2 . VAL A 1 74 ? 14.043 7.117 -6.621 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 4 +ATOM 6010 H H . VAL A 1 74 ? 13.256 4.020 -5.620 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 4 +ATOM 6011 H HA . VAL A 1 74 ? 12.106 5.838 -4.931 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 4 +ATOM 6012 H HB . VAL A 1 74 ? 12.305 6.844 -7.820 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 4 +ATOM 6013 H HG11 . VAL A 1 74 ? 12.257 9.105 -6.842 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 4 +ATOM 6014 H HG12 . VAL A 1 74 ? 12.003 8.392 -5.245 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 4 +ATOM 6015 H HG13 . VAL A 1 74 ? 10.787 8.189 -6.507 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 4 +ATOM 6016 H HG21 . VAL A 1 74 ? 14.380 7.990 -7.159 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 4 +ATOM 6017 H HG22 . VAL A 1 74 ? 14.529 6.239 -7.018 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 4 +ATOM 6018 H HG23 . VAL A 1 74 ? 14.292 7.221 -5.576 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 4 +ATOM 6019 N N . VAL A 1 75 ? 10.085 4.174 -6.065 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 4 +ATOM 6020 C CA . VAL A 1 75 ? 8.716 3.790 -6.332 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 4 +ATOM 6021 C C . VAL A 1 75 ? 8.136 3.000 -5.160 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 4 +ATOM 6022 O O . VAL A 1 75 ? 8.819 2.194 -4.533 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 4 +ATOM 6023 C CB . VAL A 1 75 ? 8.571 3.005 -7.690 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 4 +ATOM 6024 C CG1 . VAL A 1 75 ? 9.387 1.731 -7.697 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 4 +ATOM 6025 C CG2 . VAL A 1 75 ? 7.109 2.701 -8.022 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 4 +ATOM 6026 H H . VAL A 1 75 ? 10.695 3.508 -5.679 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 4 +ATOM 6027 H HA . VAL A 1 75 ? 8.154 4.709 -6.407 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 4 +ATOM 6028 H HB . VAL A 1 75 ? 8.967 3.641 -8.469 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 4 +ATOM 6029 H HG11 . VAL A 1 75 ? 10.426 1.979 -7.539 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 4 +ATOM 6030 H HG12 . VAL A 1 75 ? 9.268 1.242 -8.652 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 4 +ATOM 6031 H HG13 . VAL A 1 75 ? 9.042 1.081 -6.907 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 4 +ATOM 6032 H HG21 . VAL A 1 75 ? 6.549 3.622 -8.092 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 4 +ATOM 6033 H HG22 . VAL A 1 75 ? 6.690 2.083 -7.242 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 4 +ATOM 6034 H HG23 . VAL A 1 75 ? 7.058 2.174 -8.964 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 4 +ATOM 6035 N N . VAL A 1 76 ? 6.918 3.293 -4.851 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 4 +ATOM 6036 C CA . VAL A 1 76 ? 6.179 2.652 -3.817 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 4 +ATOM 6037 C C . VAL A 1 76 ? 5.276 1.605 -4.464 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 4 +ATOM 6038 O O . VAL A 1 76 ? 4.475 1.924 -5.341 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 4 +ATOM 6039 C CB . VAL A 1 76 ? 5.342 3.699 -3.048 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 4 +ATOM 6040 C CG1 . VAL A 1 76 ? 4.489 3.053 -1.994 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 4 +ATOM 6041 C CG2 . VAL A 1 76 ? 6.249 4.750 -2.420 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 4 +ATOM 6042 H H . VAL A 1 76 ? 6.449 3.989 -5.363 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 4 +ATOM 6043 H HA . VAL A 1 76 ? 6.871 2.175 -3.139 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 4 +ATOM 6044 H HB . VAL A 1 76 ? 4.699 4.200 -3.757 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 4 +ATOM 6045 H HG11 . VAL A 1 76 ? 3.919 3.810 -1.477 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 4 +ATOM 6046 H HG12 . VAL A 1 76 ? 5.120 2.533 -1.288 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 4 +ATOM 6047 H HG13 . VAL A 1 76 ? 3.813 2.349 -2.456 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 4 +ATOM 6048 H HG21 . VAL A 1 76 ? 5.655 5.448 -1.849 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 4 +ATOM 6049 H HG22 . VAL A 1 76 ? 6.769 5.280 -3.205 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 4 +ATOM 6050 H HG23 . VAL A 1 76 ? 6.971 4.271 -1.777 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 4 +ATOM 6051 N N . PHE A 1 77 ? 5.422 0.389 -4.044 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 4 +ATOM 6052 C CA . PHE A 1 77 ? 4.743 -0.732 -4.640 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 4 +ATOM 6053 C C . PHE A 1 77 ? 3.679 -1.282 -3.682 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 4 +ATOM 6054 O O . PHE A 1 77 ? 4.006 -1.843 -2.639 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 4 +ATOM 6055 C CB . PHE A 1 77 ? 5.808 -1.793 -4.947 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 4 +ATOM 6056 C CG . PHE A 1 77 ? 5.340 -3.006 -5.678 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 4 +ATOM 6057 C CD1 . PHE A 1 77 ? 5.226 -2.986 -7.047 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 4 +ATOM 6058 C CD2 . PHE A 1 77 ? 5.044 -4.176 -5.000 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 4 +ATOM 6059 C CE1 . PHE A 1 77 ? 4.824 -4.101 -7.733 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 4 +ATOM 6060 C CE2 . PHE A 1 77 ? 4.643 -5.300 -5.683 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 4 +ATOM 6061 C CZ . PHE A 1 77 ? 4.533 -5.261 -7.054 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 4 +ATOM 6062 H H . PHE A 1 77 ? 6.007 0.215 -3.273 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 4 +ATOM 6063 H HA . PHE A 1 77 ? 4.287 -0.423 -5.568 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 4 +ATOM 6064 H HB2 . PHE A 1 77 ? 6.585 -1.342 -5.546 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 4 +ATOM 6065 H HB3 . PHE A 1 77 ? 6.240 -2.114 -4.011 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 4 +ATOM 6066 H HD1 . PHE A 1 77 ? 5.452 -2.077 -7.582 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 4 +ATOM 6067 H HD2 . PHE A 1 77 ? 5.130 -4.201 -3.924 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 4 +ATOM 6068 H HE1 . PHE A 1 77 ? 4.743 -4.060 -8.808 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 4 +ATOM 6069 H HE2 . PHE A 1 77 ? 4.415 -6.210 -5.146 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 4 +ATOM 6070 H HZ . PHE A 1 77 ? 4.220 -6.139 -7.599 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 4 +ATOM 6071 N N . VAL A 1 78 ? 2.422 -1.098 -4.029 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 4 +ATOM 6072 C CA . VAL A 1 78 ? 1.309 -1.588 -3.223 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 4 +ATOM 6073 C C . VAL A 1 78 ? 1.127 -3.076 -3.453 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 4 +ATOM 6074 O O . VAL A 1 78 ? 1.028 -3.528 -4.603 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 4 +ATOM 6075 C CB . VAL A 1 78 ? -0.012 -0.833 -3.541 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 4 +ATOM 6076 C CG1 . VAL A 1 78 ? -1.181 -1.373 -2.715 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 4 +ATOM 6077 C CG2 . VAL A 1 78 ? 0.160 0.659 -3.304 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 4 +ATOM 6078 H H . VAL A 1 78 ? 2.238 -0.621 -4.870 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 4 +ATOM 6079 H HA . VAL A 1 78 ? 1.562 -1.438 -2.185 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 4 +ATOM 6080 H HB . VAL A 1 78 ? -0.242 -0.985 -4.585 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 4 +ATOM 6081 H HG11 . VAL A 1 78 ? -1.330 -2.417 -2.950 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 4 +ATOM 6082 H HG12 . VAL A 1 78 ? -2.082 -0.822 -2.942 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 4 +ATOM 6083 H HG13 . VAL A 1 78 ? -0.954 -1.275 -1.664 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 4 +ATOM 6084 H HG21 . VAL A 1 78 ? -0.767 1.168 -3.524 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 4 +ATOM 6085 H HG22 . VAL A 1 78 ? 0.940 1.034 -3.950 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 4 +ATOM 6086 H HG23 . VAL A 1 78 ? 0.434 0.834 -2.275 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 4 +ATOM 6087 N N . ILE A 1 79 ? 1.090 -3.838 -2.375 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 4 +ATOM 6088 C CA . ILE A 1 79 ? 1.002 -5.278 -2.495 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 4 +ATOM 6089 C C . ILE A 1 79 ? -0.364 -5.784 -2.025 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 4 +ATOM 6090 O O . ILE A 1 79 ? -0.975 -6.639 -2.669 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 4 +ATOM 6091 C CB . ILE A 1 79 ? 2.084 -5.979 -1.640 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 4 +ATOM 6092 C CG1 . ILE A 1 79 ? 3.452 -5.313 -1.820 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 4 +ATOM 6093 C CG2 . ILE A 1 79 ? 2.174 -7.446 -2.046 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 4 +ATOM 6094 C CD1 . ILE A 1 79 ? 4.510 -5.833 -0.870 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 4 +ATOM 6095 H H . ILE A 1 79 ? 1.121 -3.422 -1.485 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 4 +ATOM 6096 H HA . ILE A 1 79 ? 1.155 -5.551 -3.529 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 4 +ATOM 6097 H HB . ILE A 1 79 ? 1.794 -5.927 -0.600 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 4 +ATOM 6098 H HG12 . ILE A 1 79 ? 3.796 -5.496 -2.827 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 4 +ATOM 6099 H HG13 . ILE A 1 79 ? 3.353 -4.248 -1.665 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 4 +ATOM 6100 H HG21 . ILE A 1 79 ? 1.255 -7.954 -1.791 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 4 +ATOM 6101 H HG22 . ILE A 1 79 ? 3.017 -7.905 -1.551 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 4 +ATOM 6102 H HG23 . ILE A 1 79 ? 2.327 -7.502 -3.114 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 4 +ATOM 6103 H HD11 . ILE A 1 79 ? 4.634 -6.895 -1.016 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 4 +ATOM 6104 H HD12 . ILE A 1 79 ? 4.204 -5.649 0.150 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 4 +ATOM 6105 H HD13 . ILE A 1 79 ? 5.449 -5.334 -1.057 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 4 +ATOM 6106 N N . SER A 1 80 ? -0.850 -5.245 -0.928 1.00 0.00 ? ? ? ? ? ? 77 SER A N 4 +ATOM 6107 C CA . SER A 1 80 ? -2.093 -5.706 -0.350 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 4 +ATOM 6108 C C . SER A 1 80 ? -2.973 -4.527 0.016 1.00 0.00 ? ? ? ? ? ? 77 SER A C 4 +ATOM 6109 O O . SER A 1 80 ? -2.478 -3.498 0.487 1.00 0.00 ? ? ? ? ? ? 77 SER A O 4 +ATOM 6110 C CB . SER A 1 80 ? -1.807 -6.563 0.890 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 4 +ATOM 6111 O OG . SER A 1 80 ? -0.994 -7.691 0.566 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 4 +ATOM 6112 H H . SER A 1 80 ? -0.387 -4.506 -0.479 1.00 0.00 ? ? ? ? ? ? 77 SER A H 4 +ATOM 6113 H HA . SER A 1 80 ? -2.600 -6.317 -1.083 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 4 +ATOM 6114 H HB2 . SER A 1 80 ? -1.286 -5.963 1.622 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 4 +ATOM 6115 H HB3 . SER A 1 80 ? -2.737 -6.913 1.310 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 4 +ATOM 6116 H HG . SER A 1 80 ? -0.520 -7.958 1.365 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 4 +ATOM 6117 N N . VAL A 1 81 ? -4.252 -4.662 -0.220 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 4 +ATOM 6118 C CA . VAL A 1 81 ? -5.204 -3.628 0.080 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 4 +ATOM 6119 C C . VAL A 1 81 ? -6.570 -4.250 0.425 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 4 +ATOM 6120 O O . VAL A 1 81 ? -7.003 -5.225 -0.212 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 4 +ATOM 6121 C CB . VAL A 1 81 ? -5.313 -2.592 -1.093 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 4 +ATOM 6122 C CG1 . VAL A 1 81 ? -5.763 -3.236 -2.391 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 4 +ATOM 6123 C CG2 . VAL A 1 81 ? -6.212 -1.429 -0.732 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 4 +ATOM 6124 H H . VAL A 1 81 ? -4.603 -5.502 -0.591 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 4 +ATOM 6125 H HA . VAL A 1 81 ? -4.843 -3.119 0.962 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 4 +ATOM 6126 H HB . VAL A 1 81 ? -4.318 -2.206 -1.268 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 4 +ATOM 6127 H HG11 . VAL A 1 81 ? -6.737 -3.681 -2.250 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 4 +ATOM 6128 H HG12 . VAL A 1 81 ? -5.058 -4.002 -2.675 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 4 +ATOM 6129 H HG13 . VAL A 1 81 ? -5.820 -2.488 -3.167 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 4 +ATOM 6130 H HG21 . VAL A 1 81 ? -5.818 -0.939 0.145 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 4 +ATOM 6131 H HG22 . VAL A 1 81 ? -7.211 -1.788 -0.536 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 4 +ATOM 6132 H HG23 . VAL A 1 81 ? -6.230 -0.729 -1.554 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 4 +ATOM 6133 N N . GLY A 1 82 ? -7.195 -3.749 1.460 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 4 +ATOM 6134 C CA . GLY A 1 82 ? -8.497 -4.225 1.840 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 4 +ATOM 6135 C C . GLY A 1 82 ? -8.594 -4.338 3.323 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 4 +ATOM 6136 O O . GLY A 1 82 ? -7.996 -3.544 4.038 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 4 +ATOM 6137 H H . GLY A 1 82 ? -6.762 -3.067 2.025 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 4 +ATOM 6138 H HA2 . GLY A 1 82 ? -9.247 -3.538 1.477 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 4 +ATOM 6139 H HA3 . GLY A 1 82 ? -8.658 -5.199 1.405 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 4 +ATOM 6140 N N . LYS A 1 83 ? -9.324 -5.290 3.803 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 4 +ATOM 6141 C CA . LYS A 1 83 ? -9.400 -5.496 5.222 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 4 +ATOM 6142 C C . LYS A 1 83 ? -8.402 -6.550 5.628 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 4 +ATOM 6143 O O . LYS A 1 83 ? -8.202 -7.542 4.907 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 4 +ATOM 6144 C CB . LYS A 1 83 ? -10.796 -5.922 5.670 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 4 +ATOM 6145 C CG . LYS A 1 83 ? -11.904 -4.924 5.375 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 4 +ATOM 6146 C CD . LYS A 1 83 ? -13.247 -5.418 5.906 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 4 +ATOM 6147 C CE . LYS A 1 83 ? -13.258 -5.490 7.432 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 4 +ATOM 6148 N NZ . LYS A 1 83 ? -14.504 -6.072 7.965 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 4 +ATOM 6149 H H . LYS A 1 83 ? -9.813 -5.881 3.191 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 4 +ATOM 6150 H HA . LYS A 1 83 ? -9.143 -4.564 5.704 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 4 +ATOM 6151 H HB2 . LYS A 1 83 ? -11.049 -6.854 5.189 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 4 +ATOM 6152 H HB3 . LYS A 1 83 ? -10.758 -6.081 6.737 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 4 +ATOM 6153 H HG2 . LYS A 1 83 ? -11.664 -3.981 5.844 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 4 +ATOM 6154 H HG3 . LYS A 1 83 ? -11.975 -4.786 4.306 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 4 +ATOM 6155 H HD2 . LYS A 1 83 ? -14.020 -4.741 5.578 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 4 +ATOM 6156 H HD3 . LYS A 1 83 ? -13.434 -6.403 5.504 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 4 +ATOM 6157 H HE2 . LYS A 1 83 ? -12.437 -6.104 7.770 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 4 +ATOM 6158 H HE3 . LYS A 1 83 ? -13.145 -4.490 7.822 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 4 +ATOM 6159 H HZ1 . LYS A 1 83 ? -15.339 -5.525 7.676 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 4 +ATOM 6160 H HZ2 . LYS A 1 83 ? -14.465 -6.087 9.004 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 4 +ATOM 6161 H HZ3 . LYS A 1 83 ? -14.614 -7.058 7.655 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 4 +ATOM 6162 N N . ALA A 1 84 ? -7.767 -6.332 6.742 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 4 +ATOM 6163 C CA . ALA A 1 84 ? -6.842 -7.281 7.285 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 4 +ATOM 6164 C C . ALA A 1 84 ? -7.453 -7.854 8.527 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 4 +ATOM 6165 O O . ALA A 1 84 ? -7.473 -7.195 9.581 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 4 +ATOM 6166 C CB . ALA A 1 84 ? -5.521 -6.618 7.607 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 4 +ATOM 6167 H H . ALA A 1 84 ? -7.936 -5.508 7.245 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 4 +ATOM 6168 H HA . ALA A 1 84 ? -6.683 -8.067 6.562 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 4 +ATOM 6169 H HB1 . ALA A 1 84 ? -4.826 -7.358 7.976 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 4 +ATOM 6170 H HB2 . ALA A 1 84 ? -5.676 -5.876 8.376 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 4 +ATOM 6171 H HB3 . ALA A 1 84 ? -5.118 -6.152 6.721 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 4 +ATOM 6172 N N . GLU A 1 85 ? -7.988 -9.024 8.429 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 4 +ATOM 6173 C CA . GLU A 1 85 ? -8.713 -9.581 9.539 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 4 +ATOM 6174 C C . GLU A 1 85 ? -8.005 -10.788 10.109 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 4 +ATOM 6175 O O . GLU A 1 85 ? -7.990 -10.995 11.315 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 4 +ATOM 6176 C CB . GLU A 1 85 ? -10.162 -9.878 9.141 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 4 +ATOM 6177 C CG . GLU A 1 85 ? -10.857 -8.650 8.557 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 4 +ATOM 6178 C CD . GLU A 1 85 ? -12.336 -8.814 8.355 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 4 +ATOM 6179 O OE1 . GLU A 1 85 ? -12.754 -9.331 7.315 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 4 +ATOM 6180 O OE2 . GLU A 1 85 ? -13.111 -8.373 9.231 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 4 +ATOM 6181 H H . GLU A 1 85 ? -7.868 -9.545 7.598 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 4 +ATOM 6182 H HA . GLU A 1 85 ? -8.722 -8.821 10.309 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 4 +ATOM 6183 H HB2 . GLU A 1 85 ? -10.168 -10.665 8.403 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 4 +ATOM 6184 H HB3 . GLU A 1 85 ? -10.714 -10.197 10.012 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 4 +ATOM 6185 H HG2 . GLU A 1 85 ? -10.691 -7.812 9.216 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 4 +ATOM 6186 H HG3 . GLU A 1 85 ? -10.400 -8.430 7.603 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 4 +ATOM 6187 N N . ALA A 1 86 ? -7.364 -11.541 9.256 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 4 +ATOM 6188 C CA . ALA A 1 86 ? -6.635 -12.717 9.676 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 4 +ATOM 6189 C C . ALA A 1 86 ? -5.130 -12.458 9.631 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 4 +ATOM 6190 O O . ALA A 1 86 ? -4.335 -13.386 9.785 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 4 +ATOM 6191 C CB . ALA A 1 86 ? -6.999 -13.898 8.785 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 4 +ATOM 6192 H H . ALA A 1 86 ? -7.380 -11.321 8.292 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 4 +ATOM 6193 H HA . ALA A 1 86 ? -6.929 -12.951 10.690 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 4 +ATOM 6194 H HB1 . ALA A 1 86 ? -6.486 -14.783 9.134 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 4 +ATOM 6195 H HB2 . ALA A 1 86 ? -6.699 -13.687 7.769 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 4 +ATOM 6196 H HB3 . ALA A 1 86 ? -8.065 -14.062 8.817 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 4 +ATOM 6197 N N . SER A 1 87 ? -4.753 -11.180 9.405 1.00 0.00 ? ? ? ? ? ? 84 SER A N 4 +ATOM 6198 C CA . SER A 1 87 ? -3.338 -10.748 9.291 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 4 +ATOM 6199 C C . SER A 1 87 ? -2.706 -11.359 8.031 1.00 0.00 ? ? ? ? ? ? 84 SER A C 4 +ATOM 6200 O O . SER A 1 87 ? -1.488 -11.451 7.869 1.00 0.00 ? ? ? ? ? ? 84 SER A O 4 +ATOM 6201 C CB . SER A 1 87 ? -2.563 -11.102 10.566 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 4 +ATOM 6202 O OG . SER A 1 87 ? -3.174 -10.481 11.708 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 4 +ATOM 6203 H H . SER A 1 87 ? -5.458 -10.508 9.300 1.00 0.00 ? ? ? ? ? ? 84 SER A H 4 +ATOM 6204 H HA . SER A 1 87 ? -3.353 -9.676 9.157 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 4 +ATOM 6205 H HB2 . SER A 1 87 ? -2.573 -12.173 10.701 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 4 +ATOM 6206 H HB3 . SER A 1 87 ? -1.543 -10.757 10.485 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 4 +ATOM 6207 H HG . SER A 1 87 ? -3.518 -11.206 12.247 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 4 +ATOM 6208 N N . GLU A 1 88 ? -3.582 -11.638 7.118 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 4 +ATOM 6209 C CA . GLU A 1 88 ? -3.329 -12.265 5.867 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 4 +ATOM 6210 C C . GLU A 1 88 ? -2.536 -11.341 4.949 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 4 +ATOM 6211 O O . GLU A 1 88 ? -1.614 -11.782 4.260 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 4 +ATOM 6212 C CB . GLU A 1 88 ? -4.682 -12.673 5.214 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 4 +ATOM 6213 C CG . GLU A 1 88 ? -5.676 -11.518 4.905 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 4 +ATOM 6214 C CD . GLU A 1 88 ? -6.217 -10.788 6.131 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 4 +ATOM 6215 O OE1 . GLU A 1 88 ? -5.523 -9.916 6.670 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 4 +ATOM 6216 O OE2 . GLU A 1 88 ? -7.323 -11.100 6.596 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 4 +ATOM 6217 H H . GLU A 1 88 ? -4.503 -11.342 7.294 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 4 +ATOM 6218 H HA . GLU A 1 88 ? -2.762 -13.164 6.040 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 4 +ATOM 6219 H HB2 . GLU A 1 88 ? -4.462 -13.172 4.283 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 4 +ATOM 6220 H HB3 . GLU A 1 88 ? -5.175 -13.375 5.869 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 4 +ATOM 6221 H HG2 . GLU A 1 88 ? -5.149 -10.797 4.298 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 4 +ATOM 6222 H HG3 . GLU A 1 88 ? -6.502 -11.929 4.346 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 4 +ATOM 6223 N N . VAL A 1 89 ? -2.851 -10.047 5.017 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 4 +ATOM 6224 C CA . VAL A 1 89 ? -2.239 -9.031 4.156 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 4 +ATOM 6225 C C . VAL A 1 89 ? -0.716 -8.967 4.288 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 4 +ATOM 6226 O O . VAL A 1 89 ? -0.033 -8.576 3.342 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 4 +ATOM 6227 C CB . VAL A 1 89 ? -2.836 -7.613 4.381 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 4 +ATOM 6228 C CG1 . VAL A 1 89 ? -4.327 -7.596 4.065 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 4 +ATOM 6229 C CG2 . VAL A 1 89 ? -2.577 -7.124 5.802 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 4 +ATOM 6230 H H . VAL A 1 89 ? -3.548 -9.787 5.663 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 4 +ATOM 6231 H HA . VAL A 1 89 ? -2.459 -9.323 3.139 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 4 +ATOM 6232 H HB . VAL A 1 89 ? -2.346 -6.938 3.693 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 4 +ATOM 6233 H HG11 . VAL A 1 89 ? -4.483 -7.872 3.032 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 4 +ATOM 6234 H HG12 . VAL A 1 89 ? -4.720 -6.605 4.235 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 4 +ATOM 6235 H HG13 . VAL A 1 89 ? -4.836 -8.300 4.706 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 4 +ATOM 6236 H HG21 . VAL A 1 89 ? -1.514 -7.090 5.984 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 4 +ATOM 6237 H HG22 . VAL A 1 89 ? -3.041 -7.800 6.505 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 4 +ATOM 6238 H HG23 . VAL A 1 89 ? -2.996 -6.135 5.925 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 4 +ATOM 6239 N N . TYR A 1 90 ? -0.194 -9.365 5.446 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 4 +ATOM 6240 C CA . TYR A 1 90 ? 1.243 -9.335 5.679 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 4 +ATOM 6241 C C . TYR A 1 90 ? 1.887 -10.513 4.976 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 4 +ATOM 6242 O O . TYR A 1 90 ? 2.844 -10.362 4.211 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 4 +ATOM 6243 C CB . TYR A 1 90 ? 1.570 -9.442 7.169 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 4 +ATOM 6244 C CG . TYR A 1 90 ? 0.930 -8.416 8.071 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 4 +ATOM 6245 C CD1 . TYR A 1 90 ? 1.311 -7.085 8.038 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 4 +ATOM 6246 C CD2 . TYR A 1 90 ? -0.027 -8.799 8.991 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 4 +ATOM 6247 C CE1 . TYR A 1 90 ? 0.750 -6.168 8.903 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 4 +ATOM 6248 C CE2 . TYR A 1 90 ? -0.597 -7.891 9.850 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 4 +ATOM 6249 C CZ . TYR A 1 90 ? -0.204 -6.579 9.806 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 4 +ATOM 6250 O OH . TYR A 1 90 ? -0.761 -5.672 10.682 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 4 +ATOM 6251 H H . TYR A 1 90 ? -0.797 -9.702 6.141 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 4 +ATOM 6252 H HA . TYR A 1 90 ? 1.643 -8.412 5.289 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 4 +ATOM 6253 H HB2 . TYR A 1 90 ? 1.250 -10.412 7.518 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 4 +ATOM 6254 H HB3 . TYR A 1 90 ? 2.641 -9.371 7.288 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 4 +ATOM 6255 H HD1 . TYR A 1 90 ? 2.057 -6.772 7.323 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 4 +ATOM 6256 H HD2 . TYR A 1 90 ? -0.332 -9.833 9.022 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 4 +ATOM 6257 H HE1 . TYR A 1 90 ? 1.055 -5.133 8.868 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 4 +ATOM 6258 H HE2 . TYR A 1 90 ? -1.344 -8.215 10.558 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 4 +ATOM 6259 H HH . TYR A 1 90 ? -0.777 -6.101 11.549 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 4 +ATOM 6260 N N . SER A 1 91 ? 1.327 -11.679 5.225 1.00 0.00 ? ? ? ? ? ? 88 SER A N 4 +ATOM 6261 C CA . SER A 1 91 ? 1.820 -12.926 4.701 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 4 +ATOM 6262 C C . SER A 1 91 ? 1.762 -12.948 3.174 1.00 0.00 ? ? ? ? ? ? 88 SER A C 4 +ATOM 6263 O O . SER A 1 91 ? 2.727 -13.349 2.517 1.00 0.00 ? ? ? ? ? ? 88 SER A O 4 +ATOM 6264 C CB . SER A 1 91 ? 1.003 -14.051 5.305 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 4 +ATOM 6265 O OG . SER A 1 91 ? 0.979 -13.906 6.719 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 4 +ATOM 6266 H H . SER A 1 91 ? 0.538 -11.732 5.805 1.00 0.00 ? ? ? ? ? ? 88 SER A H 4 +ATOM 6267 H HA . SER A 1 91 ? 2.846 -13.042 5.018 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 4 +ATOM 6268 H HB2 . SER A 1 91 ? -0.006 -14.010 4.922 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 4 +ATOM 6269 H HB3 . SER A 1 91 ? 1.451 -15.002 5.059 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 4 +ATOM 6270 H HG . SER A 1 91 ? 0.368 -14.563 7.074 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 4 +ATOM 6271 N N . GLU A 1 92 ? 0.661 -12.462 2.614 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 4 +ATOM 6272 C CA . GLU A 1 92 ? 0.506 -12.418 1.167 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 4 +ATOM 6273 C C . GLU A 1 92 ? 1.510 -11.449 0.555 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 4 +ATOM 6274 O O . GLU A 1 92 ? 1.978 -11.644 -0.565 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 4 +ATOM 6275 C CB . GLU A 1 92 ? -0.897 -11.988 0.773 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 4 +ATOM 6276 C CG . GLU A 1 92 ? -2.013 -12.844 1.329 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 4 +ATOM 6277 C CD . GLU A 1 92 ? -3.354 -12.427 0.790 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 4 +ATOM 6278 O OE1 . GLU A 1 92 ? -3.727 -11.254 0.924 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 4 +ATOM 6279 O OE2 . GLU A 1 92 ? -4.038 -13.261 0.173 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 4 +ATOM 6280 H H . GLU A 1 92 ? -0.073 -12.140 3.186 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 4 +ATOM 6281 H HA . GLU A 1 92 ? 0.695 -13.409 0.782 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 4 +ATOM 6282 H HB2 . GLU A 1 92 ? -1.055 -10.977 1.117 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 4 +ATOM 6283 H HB3 . GLU A 1 92 ? -0.968 -11.997 -0.304 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 4 +ATOM 6284 H HG2 . GLU A 1 92 ? -1.830 -13.874 1.060 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 4 +ATOM 6285 H HG3 . GLU A 1 92 ? -2.025 -12.749 2.405 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 4 +ATOM 6286 N N . ALA A 1 93 ? 1.858 -10.424 1.314 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 4 +ATOM 6287 C CA . ALA A 1 93 ? 2.780 -9.417 0.854 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 4 +ATOM 6288 C C . ALA A 1 93 ? 4.193 -9.965 0.791 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 4 +ATOM 6289 O O . ALA A 1 93 ? 4.834 -9.921 -0.261 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 4 +ATOM 6290 C CB . ALA A 1 93 ? 2.718 -8.172 1.727 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 4 +ATOM 6291 H H . ALA A 1 93 ? 1.485 -10.362 2.218 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 4 +ATOM 6292 H HA . ALA A 1 93 ? 2.469 -9.149 -0.144 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 4 +ATOM 6293 H HB1 . ALA A 1 93 ? 3.369 -7.411 1.323 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 4 +ATOM 6294 H HB2 . ALA A 1 93 ? 3.035 -8.421 2.729 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 4 +ATOM 6295 H HB3 . ALA A 1 93 ? 1.703 -7.803 1.754 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 4 +ATOM 6296 N N . VAL A 1 94 ? 4.661 -10.532 1.897 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 4 +ATOM 6297 C CA . VAL A 1 94 ? 6.022 -11.049 1.969 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 4 +ATOM 6298 C C . VAL A 1 94 ? 6.238 -12.205 0.973 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 4 +ATOM 6299 O O . VAL A 1 94 ? 7.276 -12.290 0.321 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 4 +ATOM 6300 C CB . VAL A 1 94 ? 6.436 -11.453 3.431 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 4 +ATOM 6301 C CG1 . VAL A 1 94 ? 5.597 -12.595 3.985 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 4 +ATOM 6302 C CG2 . VAL A 1 94 ? 7.923 -11.766 3.524 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 4 +ATOM 6303 H H . VAL A 1 94 ? 4.071 -10.594 2.682 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 4 +ATOM 6304 H HA . VAL A 1 94 ? 6.662 -10.241 1.643 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 4 +ATOM 6305 H HB . VAL A 1 94 ? 6.239 -10.596 4.059 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 4 +ATOM 6306 H HG11 . VAL A 1 94 ? 5.725 -13.471 3.364 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 4 +ATOM 6307 H HG12 . VAL A 1 94 ? 4.557 -12.306 3.981 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 4 +ATOM 6308 H HG13 . VAL A 1 94 ? 5.907 -12.820 4.996 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 4 +ATOM 6309 H HG21 . VAL A 1 94 ? 8.157 -12.585 2.861 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 4 +ATOM 6310 H HG22 . VAL A 1 94 ? 8.171 -12.043 4.538 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 4 +ATOM 6311 H HG23 . VAL A 1 94 ? 8.496 -10.896 3.238 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 4 +ATOM 6312 N N . LYS A 1 95 ? 5.216 -13.028 0.794 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 4 +ATOM 6313 C CA . LYS A 1 95 ? 5.288 -14.159 -0.124 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 4 +ATOM 6314 C C . LYS A 1 95 ? 5.160 -13.722 -1.585 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 4 +ATOM 6315 O O . LYS A 1 95 ? 5.349 -14.525 -2.505 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 4 +ATOM 6316 C CB . LYS A 1 95 ? 4.262 -15.239 0.236 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 4 +ATOM 6317 C CG . LYS A 1 95 ? 4.505 -15.902 1.599 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 4 +ATOM 6318 C CD . LYS A 1 95 ? 5.877 -16.586 1.678 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 4 +ATOM 6319 C CE . LYS A 1 95 ? 6.009 -17.746 0.692 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 4 +ATOM 6320 N NZ . LYS A 1 95 ? 5.048 -18.830 0.982 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 4 +ATOM 6321 H H . LYS A 1 95 ? 4.389 -12.882 1.306 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 4 +ATOM 6322 H HA . LYS A 1 95 ? 6.277 -14.576 -0.012 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 4 +ATOM 6323 H HB2 . LYS A 1 95 ? 3.283 -14.784 0.258 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 4 +ATOM 6324 H HB3 . LYS A 1 95 ? 4.273 -16.007 -0.523 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 4 +ATOM 6325 H HG2 . LYS A 1 95 ? 4.450 -15.146 2.368 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 4 +ATOM 6326 H HG3 . LYS A 1 95 ? 3.734 -16.639 1.770 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 4 +ATOM 6327 H HD2 . LYS A 1 95 ? 6.658 -15.867 1.484 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 4 +ATOM 6328 H HD3 . LYS A 1 95 ? 6.002 -16.969 2.680 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 4 +ATOM 6329 H HE2 . LYS A 1 95 ? 5.836 -17.382 -0.310 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 4 +ATOM 6330 H HE3 . LYS A 1 95 ? 7.013 -18.141 0.754 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 4 +ATOM 6331 H HZ1 . LYS A 1 95 ? 5.235 -19.249 1.915 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 4 +ATOM 6332 H HZ2 . LYS A 1 95 ? 5.129 -19.608 0.295 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 4 +ATOM 6333 H HZ3 . LYS A 1 95 ? 4.065 -18.494 0.976 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 4 +ATOM 6334 N N . ARG A 1 96 ? 4.789 -12.473 -1.790 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 4 +ATOM 6335 C CA . ARG A 1 96 ? 4.730 -11.903 -3.119 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 4 +ATOM 6336 C C . ARG A 1 96 ? 6.102 -11.362 -3.494 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 4 +ATOM 6337 O O . ARG A 1 96 ? 6.517 -11.410 -4.658 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 4 +ATOM 6338 C CB . ARG A 1 96 ? 3.654 -10.801 -3.198 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 4 +ATOM 6339 C CG . ARG A 1 96 ? 3.523 -10.113 -4.555 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 4 +ATOM 6340 C CD . ARG A 1 96 ? 3.171 -11.095 -5.663 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 4 +ATOM 6341 N NE . ARG A 1 96 ? 3.021 -10.418 -6.952 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 4 +ATOM 6342 C CZ . ARG A 1 96 ? 3.076 -10.997 -8.152 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 4 +ATOM 6343 N NH1 . ARG A 1 96 ? 3.332 -12.289 -8.269 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 4 +ATOM 6344 N NH2 . ARG A 1 96 ? 2.886 -10.256 -9.225 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 4 +ATOM 6345 H H . ARG A 1 96 ? 4.539 -11.917 -1.020 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 4 +ATOM 6346 H HA . ARG A 1 96 ? 4.485 -12.696 -3.804 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 4 +ATOM 6347 H HB2 . ARG A 1 96 ? 2.696 -11.237 -2.956 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 4 +ATOM 6348 H HB3 . ARG A 1 96 ? 3.885 -10.050 -2.456 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 4 +ATOM 6349 H HG2 . ARG A 1 96 ? 2.748 -9.364 -4.497 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 4 +ATOM 6350 H HG3 . ARG A 1 96 ? 4.463 -9.636 -4.794 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 4 +ATOM 6351 H HD2 . ARG A 1 96 ? 3.960 -11.826 -5.741 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 4 +ATOM 6352 H HD3 . ARG A 1 96 ? 2.242 -11.588 -5.414 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 4 +ATOM 6353 H HE . ARG A 1 96 ? 2.848 -9.443 -6.929 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 4 +ATOM 6354 H HH11 . ARG A 1 96 ? 3.498 -12.871 -7.469 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 4 +ATOM 6355 H HH12 . ARG A 1 96 ? 3.365 -12.754 -9.157 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 4 +ATOM 6356 H HH21 . ARG A 1 96 ? 2.702 -9.273 -9.105 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 4 +ATOM 6357 H HH22 . ARG A 1 96 ? 2.903 -10.599 -10.170 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 4 +ATOM 6358 N N . ILE A 1 97 ? 6.805 -10.890 -2.499 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 4 +ATOM 6359 C CA . ILE A 1 97 ? 8.131 -10.333 -2.673 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 4 +ATOM 6360 C C . ILE A 1 97 ? 9.150 -11.458 -2.811 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 4 +ATOM 6361 O O . ILE A 1 97 ? 9.963 -11.464 -3.744 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 4 +ATOM 6362 C CB . ILE A 1 97 ? 8.502 -9.454 -1.460 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 4 +ATOM 6363 C CG1 . ILE A 1 97 ? 7.438 -8.379 -1.271 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 4 +ATOM 6364 C CG2 . ILE A 1 97 ? 9.882 -8.815 -1.654 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 4 +ATOM 6365 C CD1 . ILE A 1 97 ? 7.547 -7.641 0.031 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 4 +ATOM 6366 H H . ILE A 1 97 ? 6.410 -10.910 -1.601 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 4 +ATOM 6367 H HA . ILE A 1 97 ? 8.140 -9.724 -3.564 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 4 +ATOM 6368 H HB . ILE A 1 97 ? 8.530 -10.076 -0.579 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 4 +ATOM 6369 H HG12 . ILE A 1 97 ? 7.522 -7.654 -2.066 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 4 +ATOM 6370 H HG13 . ILE A 1 97 ? 6.462 -8.841 -1.312 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 4 +ATOM 6371 H HG21 . ILE A 1 97 ? 10.121 -8.203 -0.797 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 4 +ATOM 6372 H HG22 . ILE A 1 97 ? 9.872 -8.201 -2.542 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 4 +ATOM 6373 H HG23 . ILE A 1 97 ? 10.626 -9.590 -1.762 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 4 +ATOM 6374 H HD11 . ILE A 1 97 ? 8.506 -7.151 0.093 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 4 +ATOM 6375 H HD12 . ILE A 1 97 ? 7.434 -8.362 0.827 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 4 +ATOM 6376 H HD13 . ILE A 1 97 ? 6.749 -6.917 0.086 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 4 +ATOM 6377 N N . LEU A 1 98 ? 9.083 -12.402 -1.895 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 4 +ATOM 6378 C CA . LEU A 1 98 ? 9.984 -13.536 -1.860 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 4 +ATOM 6379 C C . LEU A 1 98 ? 9.647 -14.512 -2.959 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 4 +ATOM 6380 O O . LEU A 1 98 ? 10.494 -14.752 -3.842 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 4 +ATOM 6381 C CB . LEU A 1 98 ? 9.938 -14.240 -0.504 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 4 +ATOM 6382 C CG . LEU A 1 98 ? 10.361 -13.418 0.714 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 4 +ATOM 6383 C CD1 . LEU A 1 98 ? 10.264 -14.260 1.972 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 4 +ATOM 6384 C CD2 . LEU A 1 98 ? 11.773 -12.877 0.541 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 4 +ATOM 6385 O OXT . LEU A 1 98 ? 8.511 -15.008 -2.988 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 4 +ATOM 6386 H H . LEU A 1 98 ? 8.380 -12.355 -1.209 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 4 +ATOM 6387 H HA . LEU A 1 98 ? 10.986 -13.167 -2.025 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 4 +ATOM 6388 H HB2 . LEU A 1 98 ? 8.926 -14.581 -0.340 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 4 +ATOM 6389 H HB3 . LEU A 1 98 ? 10.579 -15.106 -0.563 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 4 +ATOM 6390 H HG . LEU A 1 98 ? 9.686 -12.583 0.822 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 4 +ATOM 6391 H HD11 . LEU A 1 98 ? 10.911 -15.121 1.882 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 4 +ATOM 6392 H HD12 . LEU A 1 98 ? 9.245 -14.589 2.110 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 4 +ATOM 6393 H HD13 . LEU A 1 98 ? 10.568 -13.669 2.823 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 4 +ATOM 6394 H HD21 . LEU A 1 98 ? 12.056 -12.331 1.428 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 4 +ATOM 6395 H HD22 . LEU A 1 98 ? 11.802 -12.210 -0.309 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 4 +ATOM 6396 H HD23 . LEU A 1 98 ? 12.460 -13.695 0.383 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 4 +ATOM 6397 N N . MET A 1 4 ? 11.222 15.419 -2.426 1.00 0.00 ? ? ? ? ? ? 1 MET A N 5 +ATOM 6398 C CA . MET A 1 4 ? 11.152 14.569 -3.604 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 5 +ATOM 6399 C C . MET A 1 4 ? 10.014 13.597 -3.449 1.00 0.00 ? ? ? ? ? ? 1 MET A C 5 +ATOM 6400 O O . MET A 1 4 ? 9.766 13.091 -2.351 1.00 0.00 ? ? ? ? ? ? 1 MET A O 5 +ATOM 6401 C CB . MET A 1 4 ? 12.478 13.808 -3.855 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 5 +ATOM 6402 C CG . MET A 1 4 ? 12.874 12.805 -2.770 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 5 +ATOM 6403 S SD . MET A 1 4 ? 14.447 11.981 -3.114 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 5 +ATOM 6404 C CE . MET A 1 4 ? 14.080 11.130 -4.648 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 5 +ATOM 6405 H H . MET A 1 4 ? 11.985 16.119 -2.491 1.00 0.00 ? ? ? ? ? ? 1 MET A H 5 +ATOM 6406 H HA . MET A 1 4 ? 10.942 15.210 -4.446 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 5 +ATOM 6407 H HB2 . MET A 1 4 ? 12.383 13.265 -4.784 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 5 +ATOM 6408 H HB3 . MET A 1 4 ? 13.279 14.525 -3.961 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 5 +ATOM 6409 H HG2 . MET A 1 4 ? 12.953 13.321 -1.825 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 5 +ATOM 6410 H HG3 . MET A 1 4 ? 12.101 12.055 -2.699 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 5 +ATOM 6411 H HE1 . MET A 1 4 ? 14.941 10.556 -4.956 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 5 +ATOM 6412 H HE2 . MET A 1 4 ? 13.846 11.853 -5.417 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 5 +ATOM 6413 H HE3 . MET A 1 4 ? 13.239 10.469 -4.503 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 5 +ATOM 6414 N N . ALA A 1 5 ? 9.308 13.368 -4.517 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 5 +ATOM 6415 C CA . ALA A 1 5 ? 8.204 12.464 -4.511 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 5 +ATOM 6416 C C . ALA A 1 5 ? 8.650 11.125 -5.045 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 5 +ATOM 6417 O O . ALA A 1 5 ? 9.600 11.038 -5.839 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 5 +ATOM 6418 C CB . ALA A 1 5 ? 7.057 13.017 -5.343 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 5 +ATOM 6419 H H . ALA A 1 5 ? 9.541 13.815 -5.360 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 5 +ATOM 6420 H HA . ALA A 1 5 ? 7.864 12.347 -3.492 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 5 +ATOM 6421 H HB1 . ALA A 1 5 ? 7.384 13.136 -6.365 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 5 +ATOM 6422 H HB2 . ALA A 1 5 ? 6.755 13.976 -4.949 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 5 +ATOM 6423 H HB3 . ALA A 1 5 ? 6.222 12.333 -5.309 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 5 +ATOM 6424 N N . TYR A 1 6 ? 8.012 10.100 -4.592 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 5 +ATOM 6425 C CA . TYR A 1 6 ? 8.286 8.762 -5.038 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 5 +ATOM 6426 C C . TYR A 1 6 ? 7.191 8.360 -6.000 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 5 +ATOM 6427 O O . TYR A 1 6 ? 6.126 8.973 -6.009 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 5 +ATOM 6428 C CB . TYR A 1 6 ? 8.344 7.785 -3.844 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 5 +ATOM 6429 C CG . TYR A 1 6 ? 9.458 8.063 -2.831 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 5 +ATOM 6430 C CD1 . TYR A 1 6 ? 9.461 9.230 -2.078 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 5 +ATOM 6431 C CD2 . TYR A 1 6 ? 10.500 7.155 -2.628 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 5 +ATOM 6432 C CE1 . TYR A 1 6 ? 10.444 9.497 -1.160 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 5 +ATOM 6433 C CE2 . TYR A 1 6 ? 11.499 7.417 -1.694 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 5 +ATOM 6434 C CZ . TYR A 1 6 ? 11.460 8.596 -0.966 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 5 +ATOM 6435 O OH . TYR A 1 6 ? 12.432 8.872 -0.028 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 5 +ATOM 6436 H H . TYR A 1 6 ? 7.311 10.243 -3.919 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 5 +ATOM 6437 H HA . TYR A 1 6 ? 9.235 8.764 -5.552 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 5 +ATOM 6438 H HB2 . TYR A 1 6 ? 7.406 7.833 -3.310 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 5 +ATOM 6439 H HB3 . TYR A 1 6 ? 8.480 6.783 -4.222 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 5 +ATOM 6440 H HD1 . TYR A 1 6 ? 8.662 9.943 -2.224 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 5 +ATOM 6441 H HD2 . TYR A 1 6 ? 10.526 6.238 -3.200 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 5 +ATOM 6442 H HE1 . TYR A 1 6 ? 10.411 10.415 -0.594 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 5 +ATOM 6443 H HE2 . TYR A 1 6 ? 12.300 6.709 -1.545 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 5 +ATOM 6444 H HH . TYR A 1 6 ? 13.301 8.680 -0.410 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 5 +ATOM 6445 N N . PHE A 1 7 ? 7.449 7.380 -6.815 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 5 +ATOM 6446 C CA . PHE A 1 7 ? 6.464 6.893 -7.767 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 5 +ATOM 6447 C C . PHE A 1 7 ? 5.501 5.951 -7.077 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 5 +ATOM 6448 O O . PHE A 1 7 ? 5.800 5.448 -6.012 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 5 +ATOM 6449 C CB . PHE A 1 7 ? 7.158 6.187 -8.932 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 5 +ATOM 6450 C CG . PHE A 1 7 ? 7.948 7.104 -9.813 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 5 +ATOM 6451 C CD1 . PHE A 1 7 ? 7.320 7.809 -10.821 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 5 +ATOM 6452 C CD2 . PHE A 1 7 ? 9.312 7.260 -9.639 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 5 +ATOM 6453 C CE1 . PHE A 1 7 ? 8.031 8.653 -11.641 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 5 +ATOM 6454 C CE2 . PHE A 1 7 ? 10.030 8.104 -10.458 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 5 +ATOM 6455 C CZ . PHE A 1 7 ? 9.384 8.803 -11.460 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 5 +ATOM 6456 H H . PHE A 1 7 ? 8.332 6.946 -6.779 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 5 +ATOM 6457 H HA . PHE A 1 7 ? 5.916 7.744 -8.146 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 5 +ATOM 6458 H HB2 . PHE A 1 7 ? 7.847 5.462 -8.526 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 5 +ATOM 6459 H HB3 . PHE A 1 7 ? 6.428 5.671 -9.537 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 5 +ATOM 6460 H HD1 . PHE A 1 7 ? 6.256 7.694 -10.963 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 5 +ATOM 6461 H HD2 . PHE A 1 7 ? 9.815 6.713 -8.856 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 5 +ATOM 6462 H HE1 . PHE A 1 7 ? 7.527 9.197 -12.426 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 5 +ATOM 6463 H HE2 . PHE A 1 7 ? 11.093 8.221 -10.313 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 5 +ATOM 6464 H HZ . PHE A 1 7 ? 9.939 9.467 -12.107 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 5 +ATOM 6465 N N . LEU A 1 8 ? 4.354 5.732 -7.660 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 5 +ATOM 6466 C CA . LEU A 1 8 ? 3.374 4.823 -7.091 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 5 +ATOM 6467 C C . LEU A 1 8 ? 3.003 3.786 -8.153 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 5 +ATOM 6468 O O . LEU A 1 8 ? 2.673 4.147 -9.297 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 5 +ATOM 6469 C CB . LEU A 1 8 ? 2.117 5.625 -6.632 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 5 +ATOM 6470 C CG . LEU A 1 8 ? 1.144 4.972 -5.595 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 5 +ATOM 6471 C CD1 . LEU A 1 8 ? 0.483 3.706 -6.095 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 5 +ATOM 6472 C CD2 . LEU A 1 8 ? 1.843 4.704 -4.281 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 5 +ATOM 6473 H H . LEU A 1 8 ? 4.140 6.203 -8.495 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 5 +ATOM 6474 H HA . LEU A 1 8 ? 3.820 4.328 -6.241 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 5 +ATOM 6475 H HB2 . LEU A 1 8 ? 2.460 6.559 -6.214 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 5 +ATOM 6476 H HB3 . LEU A 1 8 ? 1.548 5.857 -7.521 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 5 +ATOM 6477 H HG . LEU A 1 8 ? 0.352 5.679 -5.398 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 5 +ATOM 6478 H HD11 . LEU A 1 8 ? -0.144 3.925 -6.946 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 5 +ATOM 6479 H HD12 . LEU A 1 8 ? -0.101 3.281 -5.292 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 5 +ATOM 6480 H HD13 . LEU A 1 8 ? 1.251 3.000 -6.379 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 5 +ATOM 6481 H HD21 . LEU A 1 8 ? 1.168 4.186 -3.619 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 5 +ATOM 6482 H HD22 . LEU A 1 8 ? 2.133 5.638 -3.823 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 5 +ATOM 6483 H HD23 . LEU A 1 8 ? 2.716 4.092 -4.451 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 5 +ATOM 6484 N N . ASP A 1 9 ? 3.087 2.524 -7.802 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 5 +ATOM 6485 C CA . ASP A 1 9 ? 2.708 1.455 -8.712 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 5 +ATOM 6486 C C . ASP A 1 9 ? 1.950 0.389 -7.944 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 5 +ATOM 6487 O O . ASP A 1 9 ? 2.107 0.266 -6.728 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 5 +ATOM 6488 C CB . ASP A 1 9 ? 3.938 0.854 -9.405 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 5 +ATOM 6489 C CG . ASP A 1 9 ? 3.577 -0.114 -10.516 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 5 +ATOM 6490 O OD1 . ASP A 1 9 ? 2.769 0.260 -11.410 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 5 +ATOM 6491 O OD2 . ASP A 1 9 ? 4.104 -1.227 -10.543 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 5 +ATOM 6492 H H . ASP A 1 9 ? 3.408 2.285 -6.901 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 5 +ATOM 6493 H HA . ASP A 1 9 ? 2.048 1.878 -9.453 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 5 +ATOM 6494 H HB2 . ASP A 1 9 ? 4.562 1.637 -9.810 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 5 +ATOM 6495 H HB3 . ASP A 1 9 ? 4.484 0.307 -8.653 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 5 +ATOM 6496 N N . PHE A 1 10 ? 1.130 -0.356 -8.626 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 5 +ATOM 6497 C CA . PHE A 1 10 ? 0.301 -1.371 -7.994 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 5 +ATOM 6498 C C . PHE A 1 10 ? 0.670 -2.752 -8.497 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 5 +ATOM 6499 O O . PHE A 1 10 ? 1.005 -2.929 -9.678 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 5 +ATOM 6500 C CB . PHE A 1 10 ? -1.190 -1.150 -8.305 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 5 +ATOM 6501 C CG . PHE A 1 10 ? -1.802 0.128 -7.795 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 5 +ATOM 6502 C CD1 . PHE A 1 10 ? -2.389 0.174 -6.543 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 5 +ATOM 6503 C CD2 . PHE A 1 10 ? -1.822 1.269 -8.582 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 5 +ATOM 6504 C CE1 . PHE A 1 10 ? -2.981 1.335 -6.083 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 5 +ATOM 6505 C CE2 . PHE A 1 10 ? -2.409 2.432 -8.127 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 5 +ATOM 6506 C CZ . PHE A 1 10 ? -2.990 2.465 -6.876 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 5 +ATOM 6507 H H . PHE A 1 10 ? 1.105 -0.238 -9.598 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 5 +ATOM 6508 H HA . PHE A 1 10 ? 0.441 -1.319 -6.926 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 5 +ATOM 6509 H HB2 . PHE A 1 10 ? -1.320 -1.155 -9.377 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 5 +ATOM 6510 H HB3 . PHE A 1 10 ? -1.747 -1.978 -7.892 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 5 +ATOM 6511 H HD1 . PHE A 1 10 ? -2.377 -0.708 -5.921 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 5 +ATOM 6512 H HD2 . PHE A 1 10 ? -1.367 1.244 -9.562 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 5 +ATOM 6513 H HE1 . PHE A 1 10 ? -3.436 1.358 -5.104 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 5 +ATOM 6514 H HE2 . PHE A 1 10 ? -2.413 3.315 -8.749 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 5 +ATOM 6515 H HZ . PHE A 1 10 ? -3.452 3.374 -6.520 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 5 +ATOM 6516 N N . ASP A 1 11 ? 0.623 -3.711 -7.616 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 5 +ATOM 6517 C CA . ASP A 1 11 ? 0.796 -5.110 -7.971 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 5 +ATOM 6518 C C . ASP A 1 11 ? -0.484 -5.627 -8.613 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 5 +ATOM 6519 O O . ASP A 1 11 ? -1.559 -5.050 -8.397 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 5 +ATOM 6520 C CB . ASP A 1 11 ? 1.140 -5.966 -6.747 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 5 +ATOM 6521 C CG . ASP A 1 11 ? 1.351 -7.415 -7.118 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 5 +ATOM 6522 O OD1 . ASP A 1 11 ? 2.413 -7.751 -7.692 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 5 +ATOM 6523 O OD2 . ASP A 1 11 ? 0.440 -8.224 -6.914 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 5 +ATOM 6524 H H . ASP A 1 11 ? 0.492 -3.491 -6.666 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 5 +ATOM 6525 H HA . ASP A 1 11 ? 1.596 -5.177 -8.694 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 5 +ATOM 6526 H HB2 . ASP A 1 11 ? 2.045 -5.593 -6.293 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 5 +ATOM 6527 H HB3 . ASP A 1 11 ? 0.329 -5.909 -6.036 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 5 +ATOM 6528 N N . GLU A 1 12 ? -0.372 -6.679 -9.414 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 5 +ATOM 6529 C CA . GLU A 1 12 ? -1.510 -7.290 -10.078 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 5 +ATOM 6530 C C . GLU A 1 12 ? -2.612 -7.652 -9.063 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 5 +ATOM 6531 O O . GLU A 1 12 ? -3.795 -7.481 -9.360 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 5 +ATOM 6532 C CB . GLU A 1 12 ? -1.077 -8.554 -10.841 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 5 +ATOM 6533 C CG . GLU A 1 12 ? -0.500 -9.642 -9.948 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 5 +ATOM 6534 C CD . GLU A 1 12 ? -0.182 -10.911 -10.674 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 5 +ATOM 6535 O OE1 . GLU A 1 12 ? -1.091 -11.727 -10.891 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 5 +ATOM 6536 O OE2 . GLU A 1 12 ? 0.987 -11.134 -11.020 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 5 +ATOM 6537 H H . GLU A 1 12 ? 0.519 -7.065 -9.546 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 5 +ATOM 6538 H HA . GLU A 1 12 ? -1.908 -6.577 -10.784 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 5 +ATOM 6539 H HB2 . GLU A 1 12 ? -1.937 -8.961 -11.352 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 5 +ATOM 6540 H HB3 . GLU A 1 12 ? -0.329 -8.281 -11.571 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 5 +ATOM 6541 H HG2 . GLU A 1 12 ? 0.410 -9.274 -9.497 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 5 +ATOM 6542 H HG3 . GLU A 1 12 ? -1.217 -9.855 -9.168 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 5 +ATOM 6543 N N . ARG A 1 13 ? -2.219 -8.106 -7.856 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 5 +ATOM 6544 C CA . ARG A 1 13 ? -3.186 -8.467 -6.822 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 5 +ATOM 6545 C C . ARG A 1 13 ? -3.844 -7.222 -6.300 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 5 +ATOM 6546 O O . ARG A 1 13 ? -5.064 -7.150 -6.177 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 5 +ATOM 6547 C CB . ARG A 1 13 ? -2.531 -9.186 -5.643 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 5 +ATOM 6548 C CG . ARG A 1 13 ? -1.811 -10.473 -5.976 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 5 +ATOM 6549 C CD . ARG A 1 13 ? -1.319 -11.128 -4.700 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 5 +ATOM 6550 N NE . ARG A 1 13 ? -0.534 -12.346 -4.940 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 5 +ATOM 6551 C CZ . ARG A 1 13 ? -0.351 -13.318 -4.033 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 5 +ATOM 6552 N NH1 . ARG A 1 13 ? -1.081 -13.343 -2.920 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 5 +ATOM 6553 N NH2 . ARG A 1 13 ? 0.508 -14.304 -4.275 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 5 +ATOM 6554 H H . ARG A 1 13 ? -1.255 -8.190 -7.653 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 5 +ATOM 6555 H HA . ARG A 1 13 ? -3.931 -9.113 -7.263 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 5 +ATOM 6556 H HB2 . ARG A 1 13 ? -1.812 -8.518 -5.193 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 5 +ATOM 6557 H HB3 . ARG A 1 13 ? -3.297 -9.403 -4.915 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 5 +ATOM 6558 H HG2 . ARG A 1 13 ? -2.495 -11.135 -6.485 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 5 +ATOM 6559 H HG3 . ARG A 1 13 ? -0.966 -10.254 -6.613 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 5 +ATOM 6560 H HD2 . ARG A 1 13 ? -0.706 -10.421 -4.160 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 5 +ATOM 6561 H HD3 . ARG A 1 13 ? -2.180 -11.381 -4.099 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 5 +ATOM 6562 H HE . ARG A 1 13 ? -0.094 -12.383 -5.821 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 5 +ATOM 6563 H HH11 . ARG A 1 13 ? -1.796 -12.660 -2.711 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 5 +ATOM 6564 H HH12 . ARG A 1 13 ? -0.947 -14.055 -2.226 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 5 +ATOM 6565 H HH21 . ARG A 1 13 ? 1.032 -14.361 -5.128 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 5 +ATOM 6566 H HH22 . ARG A 1 13 ? 0.693 -15.036 -3.610 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 5 +ATOM 6567 N N . ALA A 1 14 ? -3.020 -6.219 -6.053 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 5 +ATOM 6568 C CA . ALA A 1 14 ? -3.463 -4.950 -5.511 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 5 +ATOM 6569 C C . ALA A 1 14 ? -4.487 -4.285 -6.411 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 5 +ATOM 6570 O O . ALA A 1 14 ? -5.393 -3.644 -5.929 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 5 +ATOM 6571 C CB . ALA A 1 14 ? -2.283 -4.029 -5.278 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 5 +ATOM 6572 H H . ALA A 1 14 ? -2.068 -6.346 -6.248 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 5 +ATOM 6573 H HA . ALA A 1 14 ? -3.925 -5.153 -4.557 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 5 +ATOM 6574 H HB1 . ALA A 1 14 ? -1.567 -4.506 -4.626 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 5 +ATOM 6575 H HB2 . ALA A 1 14 ? -2.627 -3.109 -4.828 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 5 +ATOM 6576 H HB3 . ALA A 1 14 ? -1.812 -3.811 -6.226 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 5 +ATOM 6577 N N . LEU A 1 15 ? -4.360 -4.487 -7.716 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 5 +ATOM 6578 C CA . LEU A 1 15 ? -5.282 -3.900 -8.672 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 5 +ATOM 6579 C C . LEU A 1 15 ? -6.648 -4.535 -8.591 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 5 +ATOM 6580 O O . LEU A 1 15 ? -7.667 -3.854 -8.704 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 5 +ATOM 6581 C CB . LEU A 1 15 ? -4.735 -4.001 -10.083 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 5 +ATOM 6582 C CG . LEU A 1 15 ? -3.628 -3.021 -10.447 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 5 +ATOM 6583 C CD1 . LEU A 1 15 ? -3.077 -3.350 -11.820 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 5 +ATOM 6584 C CD2 . LEU A 1 15 ? -4.165 -1.589 -10.430 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 5 +ATOM 6585 H H . LEU A 1 15 ? -3.631 -5.058 -8.042 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 5 +ATOM 6586 H HA . LEU A 1 15 ? -5.385 -2.856 -8.418 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 5 +ATOM 6587 H HB2 . LEU A 1 15 ? -4.358 -5.004 -10.219 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 5 +ATOM 6588 H HB3 . LEU A 1 15 ? -5.561 -3.859 -10.759 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 5 +ATOM 6589 H HG . LEU A 1 15 ? -2.828 -3.092 -9.726 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 5 +ATOM 6590 H HD11 . LEU A 1 15 ? -2.673 -4.352 -11.815 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 5 +ATOM 6591 H HD12 . LEU A 1 15 ? -2.299 -2.646 -12.071 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 5 +ATOM 6592 H HD13 . LEU A 1 15 ? -3.873 -3.286 -12.546 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 5 +ATOM 6593 H HD21 . LEU A 1 15 ? -4.519 -1.331 -9.443 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 5 +ATOM 6594 H HD22 . LEU A 1 15 ? -4.989 -1.511 -11.125 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 5 +ATOM 6595 H HD23 . LEU A 1 15 ? -3.382 -0.907 -10.722 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 5 +ATOM 6596 N N . LYS A 1 16 ? -6.663 -5.824 -8.355 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 5 +ATOM 6597 C CA . LYS A 1 16 ? -7.902 -6.575 -8.258 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 5 +ATOM 6598 C C . LYS A 1 16 ? -8.634 -6.132 -7.009 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 5 +ATOM 6599 O O . LYS A 1 16 ? -9.838 -5.861 -7.035 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 5 +ATOM 6600 C CB . LYS A 1 16 ? -7.589 -8.061 -8.157 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 5 +ATOM 6601 C CG . LYS A 1 16 ? -6.722 -8.577 -9.279 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 5 +ATOM 6602 C CD . LYS A 1 16 ? -6.228 -9.971 -8.983 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 5 +ATOM 6603 C CE . LYS A 1 16 ? -5.241 -10.457 -10.033 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 5 +ATOM 6604 N NZ . LYS A 1 16 ? -5.808 -10.445 -11.400 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 5 +ATOM 6605 H H . LYS A 1 16 ? -5.810 -6.287 -8.225 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 5 +ATOM 6606 H HA . LYS A 1 16 ? -8.499 -6.385 -9.137 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 5 +ATOM 6607 H HB2 . LYS A 1 16 ? -7.082 -8.243 -7.222 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 5 +ATOM 6608 H HB3 . LYS A 1 16 ? -8.518 -8.613 -8.164 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 5 +ATOM 6609 H HG2 . LYS A 1 16 ? -7.296 -8.590 -10.193 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 5 +ATOM 6610 H HG3 . LYS A 1 16 ? -5.872 -7.920 -9.394 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 5 +ATOM 6611 H HD2 . LYS A 1 16 ? -5.710 -9.910 -8.036 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 5 +ATOM 6612 H HD3 . LYS A 1 16 ? -7.064 -10.651 -8.913 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 5 +ATOM 6613 H HE2 . LYS A 1 16 ? -4.375 -9.813 -10.018 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 5 +ATOM 6614 H HE3 . LYS A 1 16 ? -4.942 -11.463 -9.781 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 5 +ATOM 6615 H HZ1 . LYS A 1 16 ? -6.679 -11.010 -11.454 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 5 +ATOM 6616 H HZ2 . LYS A 1 16 ? -5.138 -10.850 -12.084 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 5 +ATOM 6617 H HZ3 . LYS A 1 16 ? -6.029 -9.482 -11.720 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 5 +ATOM 6618 N N . GLU A 1 17 ? -7.879 -6.000 -5.932 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 5 +ATOM 6619 C CA . GLU A 1 17 ? -8.413 -5.577 -4.671 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 5 +ATOM 6620 C C . GLU A 1 17 ? -8.870 -4.131 -4.738 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 5 +ATOM 6621 O O . GLU A 1 17 ? -9.900 -3.796 -4.211 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 5 +ATOM 6622 C CB . GLU A 1 17 ? -7.378 -5.768 -3.577 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 5 +ATOM 6623 C CG . GLU A 1 17 ? -6.887 -7.196 -3.465 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 5 +ATOM 6624 C CD . GLU A 1 17 ? -8.008 -8.166 -3.212 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 5 +ATOM 6625 O OE1 . GLU A 1 17 ? -8.409 -8.351 -2.052 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 5 +ATOM 6626 O OE2 . GLU A 1 17 ? -8.532 -8.746 -4.161 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 5 +ATOM 6627 H H . GLU A 1 17 ? -6.925 -6.227 -5.981 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 5 +ATOM 6628 H HA . GLU A 1 17 ? -9.264 -6.205 -4.452 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 5 +ATOM 6629 H HB2 . GLU A 1 17 ? -6.532 -5.130 -3.787 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 5 +ATOM 6630 H HB3 . GLU A 1 17 ? -7.810 -5.481 -2.631 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 5 +ATOM 6631 H HG2 . GLU A 1 17 ? -6.413 -7.459 -4.399 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 5 +ATOM 6632 H HG3 . GLU A 1 17 ? -6.164 -7.260 -2.669 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 5 +ATOM 6633 N N . TRP A 1 18 ? -8.105 -3.307 -5.426 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 5 +ATOM 6634 C CA . TRP A 1 18 ? -8.396 -1.884 -5.607 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 5 +ATOM 6635 C C . TRP A 1 18 ? -9.742 -1.710 -6.337 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 5 +ATOM 6636 O O . TRP A 1 18 ? -10.547 -0.828 -6.008 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 5 +ATOM 6637 C CB . TRP A 1 18 ? -7.238 -1.258 -6.402 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 5 +ATOM 6638 C CG . TRP A 1 18 ? -7.261 0.222 -6.558 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 5 +ATOM 6639 C CD1 . TRP A 1 18 ? -7.585 0.921 -7.679 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 5 +ATOM 6640 C CD2 . TRP A 1 18 ? -6.911 1.189 -5.565 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 5 +ATOM 6641 N NE1 . TRP A 1 18 ? -7.463 2.266 -7.442 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 5 +ATOM 6642 C CE2 . TRP A 1 18 ? -7.051 2.456 -6.151 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 5 +ATOM 6643 C CE3 . TRP A 1 18 ? -6.495 1.105 -4.232 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 5 +ATOM 6644 C CZ2 . TRP A 1 18 ? -6.788 3.630 -5.457 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 5 +ATOM 6645 C CZ3 . TRP A 1 18 ? -6.237 2.271 -3.547 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 5 +ATOM 6646 C CH2 . TRP A 1 18 ? -6.383 3.516 -4.159 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 5 +ATOM 6647 H H . TRP A 1 18 ? -7.276 -3.655 -5.824 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 5 +ATOM 6648 H HA . TRP A 1 18 ? -8.454 -1.417 -4.634 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 5 +ATOM 6649 H HB2 . TRP A 1 18 ? -6.313 -1.496 -5.895 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 5 +ATOM 6650 H HB3 . TRP A 1 18 ? -7.219 -1.703 -7.386 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 5 +ATOM 6651 H HD1 . TRP A 1 18 ? -7.887 0.462 -8.609 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 5 +ATOM 6652 H HE1 . TRP A 1 18 ? -7.641 2.980 -8.089 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 5 +ATOM 6653 H HE3 . TRP A 1 18 ? -6.377 0.149 -3.742 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 5 +ATOM 6654 H HZ2 . TRP A 1 18 ? -6.894 4.602 -5.913 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 5 +ATOM 6655 H HZ3 . TRP A 1 18 ? -5.913 2.230 -2.518 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 5 +ATOM 6656 H HH2 . TRP A 1 18 ? -6.168 4.402 -3.580 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 5 +ATOM 6657 N N . ARG A 1 19 ? -9.991 -2.578 -7.296 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 5 +ATOM 6658 C CA . ARG A 1 19 ? -11.247 -2.578 -8.026 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 5 +ATOM 6659 C C . ARG A 1 19 ? -12.376 -3.117 -7.154 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 5 +ATOM 6660 O O . ARG A 1 19 ? -13.491 -2.611 -7.189 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 5 +ATOM 6661 C CB . ARG A 1 19 ? -11.119 -3.417 -9.289 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 5 +ATOM 6662 C CG . ARG A 1 19 ? -10.232 -2.805 -10.355 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 5 +ATOM 6663 C CD . ARG A 1 19 ? -9.965 -3.784 -11.486 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 5 +ATOM 6664 N NE . ARG A 1 19 ? -11.199 -4.354 -12.049 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 5 +ATOM 6665 C CZ . ARG A 1 19 ? -11.573 -4.286 -13.335 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 5 +ATOM 6666 N NH1 . ARG A 1 19 ? -10.914 -3.502 -14.191 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 5 +ATOM 6667 N NH2 . ARG A 1 19 ? -12.631 -4.968 -13.753 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 5 +ATOM 6668 H H . ARG A 1 19 ? -9.295 -3.235 -7.523 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 5 +ATOM 6669 H HA . ARG A 1 19 ? -11.473 -1.559 -8.306 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 5 +ATOM 6670 H HB2 . ARG A 1 19 ? -10.703 -4.376 -9.017 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 5 +ATOM 6671 H HB3 . ARG A 1 19 ? -12.104 -3.566 -9.708 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 5 +ATOM 6672 H HG2 . ARG A 1 19 ? -10.722 -1.932 -10.760 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 5 +ATOM 6673 H HG3 . ARG A 1 19 ? -9.292 -2.519 -9.908 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 5 +ATOM 6674 H HD2 . ARG A 1 19 ? -9.421 -3.279 -12.269 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 5 +ATOM 6675 H HD3 . ARG A 1 19 ? -9.360 -4.589 -11.096 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 5 +ATOM 6676 H HE . ARG A 1 19 ? -11.729 -4.876 -11.399 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 5 +ATOM 6677 H HH11 . ARG A 1 19 ? -10.137 -2.941 -13.903 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 5 +ATOM 6678 H HH12 . ARG A 1 19 ? -11.164 -3.442 -15.162 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 5 +ATOM 6679 H HH21 . ARG A 1 19 ? -13.176 -5.539 -13.134 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 5 +ATOM 6680 H HH22 . ARG A 1 19 ? -12.929 -4.953 -14.710 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 5 +ATOM 6681 N N . LYS A 1 20 ? -12.061 -4.116 -6.359 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 5 +ATOM 6682 C CA . LYS A 1 20 ? -13.017 -4.769 -5.462 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 5 +ATOM 6683 C C . LYS A 1 20 ? -13.326 -3.878 -4.229 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 5 +ATOM 6684 O O . LYS A 1 20 ? -14.312 -4.089 -3.500 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 5 +ATOM 6685 C CB . LYS A 1 20 ? -12.457 -6.184 -5.109 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 5 +ATOM 6686 C CG . LYS A 1 20 ? -13.258 -7.066 -4.137 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 5 +ATOM 6687 C CD . LYS A 1 20 ? -12.938 -6.782 -2.665 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 5 +ATOM 6688 C CE . LYS A 1 20 ? -11.473 -7.084 -2.317 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 5 +ATOM 6689 N NZ . LYS A 1 20 ? -11.094 -8.496 -2.579 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 5 +ATOM 6690 H H . LYS A 1 20 ? -11.137 -4.452 -6.384 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 5 +ATOM 6691 H HA . LYS A 1 20 ? -13.938 -4.888 -6.015 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 5 +ATOM 6692 H HB2 . LYS A 1 20 ? -12.370 -6.735 -6.034 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 5 +ATOM 6693 H HB3 . LYS A 1 20 ? -11.461 -6.051 -4.714 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 5 +ATOM 6694 H HG2 . LYS A 1 20 ? -14.310 -6.883 -4.296 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 5 +ATOM 6695 H HG3 . LYS A 1 20 ? -13.045 -8.103 -4.351 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 5 +ATOM 6696 H HD2 . LYS A 1 20 ? -13.134 -5.737 -2.469 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 5 +ATOM 6697 H HD3 . LYS A 1 20 ? -13.585 -7.385 -2.046 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 5 +ATOM 6698 H HE2 . LYS A 1 20 ? -10.820 -6.435 -2.881 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 5 +ATOM 6699 H HE3 . LYS A 1 20 ? -11.328 -6.880 -1.266 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 5 +ATOM 6700 H HZ1 . LYS A 1 20 ? -11.639 -9.156 -1.988 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 5 +ATOM 6701 H HZ2 . LYS A 1 20 ? -10.075 -8.614 -2.369 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 5 +ATOM 6702 H HZ3 . LYS A 1 20 ? -11.222 -8.738 -3.584 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 5 +ATOM 6703 N N . LEU A 1 21 ? -12.485 -2.901 -4.007 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 5 +ATOM 6704 C CA . LEU A 1 21 ? -12.695 -1.939 -2.958 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 5 +ATOM 6705 C C . LEU A 1 21 ? -13.762 -0.957 -3.351 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 5 +ATOM 6706 O O . LEU A 1 21 ? -13.946 -0.661 -4.543 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 5 +ATOM 6707 C CB . LEU A 1 21 ? -11.416 -1.170 -2.616 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 5 +ATOM 6708 C CG . LEU A 1 21 ? -10.753 -1.485 -1.269 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 5 +ATOM 6709 C CD1 . LEU A 1 21 ? -11.724 -1.311 -0.125 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 5 +ATOM 6710 C CD2 . LEU A 1 21 ? -10.123 -2.865 -1.246 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 5 +ATOM 6711 H H . LEU A 1 21 ? -11.679 -2.838 -4.563 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 5 +ATOM 6712 H HA . LEU A 1 21 ? -13.017 -2.479 -2.083 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 5 +ATOM 6713 H HB2 . LEU A 1 21 ? -10.694 -1.362 -3.395 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 5 +ATOM 6714 H HB3 . LEU A 1 21 ? -11.656 -0.117 -2.633 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 5 +ATOM 6715 H HG . LEU A 1 21 ? -9.983 -0.748 -1.112 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 5 +ATOM 6716 H HD11 . LEU A 1 21 ? -11.210 -1.480 0.810 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 5 +ATOM 6717 H HD12 . LEU A 1 21 ? -12.527 -2.026 -0.212 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 5 +ATOM 6718 H HD13 . LEU A 1 21 ? -12.121 -0.308 -0.139 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 5 +ATOM 6719 H HD21 . LEU A 1 21 ? -9.374 -2.929 -2.022 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 5 +ATOM 6720 H HD22 . LEU A 1 21 ? -10.885 -3.609 -1.418 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 5 +ATOM 6721 H HD23 . LEU A 1 21 ? -9.661 -3.038 -0.287 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 5 +ATOM 6722 N N . GLY A 1 22 ? -14.463 -0.468 -2.357 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 5 +ATOM 6723 C CA . GLY A 1 22 ? -15.466 0.520 -2.561 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 5 +ATOM 6724 C C . GLY A 1 22 ? -14.859 1.792 -3.077 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 5 +ATOM 6725 O O . GLY A 1 22 ? -13.786 2.193 -2.601 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 5 +ATOM 6726 H H . GLY A 1 22 ? -14.294 -0.789 -1.447 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 5 +ATOM 6727 H HA2 . GLY A 1 22 ? -16.233 0.160 -3.230 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 5 +ATOM 6728 H HA3 . GLY A 1 22 ? -15.872 0.717 -1.582 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 5 +ATOM 6729 N N . SER A 1 23 ? -15.531 2.424 -4.025 1.00 0.00 ? ? ? ? ? ? 20 SER A N 5 +ATOM 6730 C CA . SER A 1 23 ? -15.070 3.642 -4.672 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 5 +ATOM 6731 C C . SER A 1 23 ? -14.671 4.699 -3.642 1.00 0.00 ? ? ? ? ? ? 20 SER A C 5 +ATOM 6732 O O . SER A 1 23 ? -13.592 5.251 -3.701 1.00 0.00 ? ? ? ? ? ? 20 SER A O 5 +ATOM 6733 C CB . SER A 1 23 ? -16.185 4.169 -5.564 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 5 +ATOM 6734 O OG . SER A 1 23 ? -16.644 3.142 -6.438 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 5 +ATOM 6735 H H . SER A 1 23 ? -16.391 2.060 -4.324 1.00 0.00 ? ? ? ? ? ? 20 SER A H 5 +ATOM 6736 H HA . SER A 1 23 ? -14.218 3.402 -5.291 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 5 +ATOM 6737 H HB2 . SER A 1 23 ? -17.008 4.502 -4.949 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 5 +ATOM 6738 H HB3 . SER A 1 23 ? -15.817 4.993 -6.157 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 5 +ATOM 6739 H HG . SER A 1 23 ? -16.499 3.470 -7.336 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 5 +ATOM 6740 N N . THR A 1 24 ? -15.514 4.881 -2.664 1.00 0.00 ? ? ? ? ? ? 21 THR A N 5 +ATOM 6741 C CA . THR A 1 24 ? -15.319 5.858 -1.617 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 5 +ATOM 6742 C C . THR A 1 24 ? -14.061 5.543 -0.796 1.00 0.00 ? ? ? ? ? ? 21 THR A C 5 +ATOM 6743 O O . THR A 1 24 ? -13.248 6.427 -0.512 1.00 0.00 ? ? ? ? ? ? 21 THR A O 5 +ATOM 6744 C CB . THR A 1 24 ? -16.547 5.849 -0.706 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 5 +ATOM 6745 O OG1 . THR A 1 24 ? -17.718 6.058 -1.520 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 5 +ATOM 6746 C CG2 . THR A 1 24 ? -16.453 6.929 0.357 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 5 +ATOM 6747 H H . THR A 1 24 ? -16.313 4.316 -2.649 1.00 0.00 ? ? ? ? ? ? 21 THR A H 5 +ATOM 6748 H HA . THR A 1 24 ? -15.232 6.836 -2.064 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 5 +ATOM 6749 H HB . THR A 1 24 ? -16.618 4.878 -0.237 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 5 +ATOM 6750 H HG1 . THR A 1 24 ? -17.422 6.476 -2.341 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 5 +ATOM 6751 H HG21 . THR A 1 24 ? -15.582 6.758 0.973 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 5 +ATOM 6752 H HG22 . THR A 1 24 ? -17.339 6.925 0.973 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 5 +ATOM 6753 H HG23 . THR A 1 24 ? -16.355 7.883 -0.138 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 5 +ATOM 6754 N N . VAL A 1 25 ? -13.895 4.274 -0.480 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 5 +ATOM 6755 C CA . VAL A 1 25 ? -12.786 3.811 0.328 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 5 +ATOM 6756 C C . VAL A 1 25 ? -11.492 3.966 -0.443 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 5 +ATOM 6757 O O . VAL A 1 25 ? -10.508 4.510 0.068 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 5 +ATOM 6758 C CB . VAL A 1 25 ? -12.970 2.329 0.722 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 5 +ATOM 6759 C CG1 . VAL A 1 25 ? -11.811 1.843 1.569 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 5 +ATOM 6760 C CG2 . VAL A 1 25 ? -14.281 2.129 1.457 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 5 +ATOM 6761 H H . VAL A 1 25 ? -14.533 3.617 -0.831 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 5 +ATOM 6762 H HA . VAL A 1 25 ? -12.745 4.410 1.227 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 5 +ATOM 6763 H HB . VAL A 1 25 ? -12.996 1.744 -0.185 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 5 +ATOM 6764 H HG11 . VAL A 1 25 ? -11.751 2.438 2.468 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 5 +ATOM 6765 H HG12 . VAL A 1 25 ? -10.891 1.938 1.011 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 5 +ATOM 6766 H HG13 . VAL A 1 25 ? -11.966 0.808 1.837 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 5 +ATOM 6767 H HG21 . VAL A 1 25 ? -14.387 1.088 1.726 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 5 +ATOM 6768 H HG22 . VAL A 1 25 ? -15.102 2.423 0.820 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 5 +ATOM 6769 H HG23 . VAL A 1 25 ? -14.286 2.733 2.353 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 5 +ATOM 6770 N N . ARG A 1 26 ? -11.509 3.529 -1.685 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 5 +ATOM 6771 C CA . ARG A 1 26 ? -10.351 3.629 -2.523 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 5 +ATOM 6772 C C . ARG A 1 26 ? -9.999 5.071 -2.837 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 5 +ATOM 6773 O O . ARG A 1 26 ? -8.854 5.373 -3.032 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 5 +ATOM 6774 C CB . ARG A 1 26 ? -10.404 2.764 -3.771 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 5 +ATOM 6775 C CG . ARG A 1 26 ? -11.552 3.037 -4.695 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 5 +ATOM 6776 C CD . ARG A 1 26 ? -11.316 2.364 -6.015 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 5 +ATOM 6777 N NE . ARG A 1 26 ? -12.366 2.666 -6.985 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 5 +ATOM 6778 C CZ . ARG A 1 26 ? -13.079 1.757 -7.663 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 5 +ATOM 6779 N NH1 . ARG A 1 26 ? -12.982 0.456 -7.371 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 5 +ATOM 6780 N NH2 . ARG A 1 26 ? -13.908 2.157 -8.613 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 5 +ATOM 6781 H H . ARG A 1 26 ? -12.334 3.124 -2.039 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 5 +ATOM 6782 H HA . ARG A 1 26 ? -9.545 3.271 -1.898 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 5 +ATOM 6783 H HB2 . ARG A 1 26 ? -9.489 2.904 -4.328 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 5 +ATOM 6784 H HB3 . ARG A 1 26 ? -10.459 1.730 -3.459 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 5 +ATOM 6785 H HG2 . ARG A 1 26 ? -12.426 2.594 -4.239 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 5 +ATOM 6786 H HG3 . ARG A 1 26 ? -11.726 4.097 -4.817 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 5 +ATOM 6787 H HD2 . ARG A 1 26 ? -10.368 2.743 -6.372 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 5 +ATOM 6788 H HD3 . ARG A 1 26 ? -11.248 1.298 -5.864 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 5 +ATOM 6789 H HE . ARG A 1 26 ? -12.491 3.628 -7.152 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 5 +ATOM 6790 H HH11 . ARG A 1 26 ? -12.381 0.108 -6.644 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 5 +ATOM 6791 H HH12 . ARG A 1 26 ? -13.522 -0.232 -7.866 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 5 +ATOM 6792 H HH21 . ARG A 1 26 ? -14.028 3.123 -8.857 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 5 +ATOM 6793 H HH22 . ARG A 1 26 ? -14.466 1.507 -9.138 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 5 +ATOM 6794 N N . GLU A 1 27 ? -10.993 5.945 -2.965 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 5 +ATOM 6795 C CA . GLU A 1 27 ? -10.721 7.372 -3.147 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 5 +ATOM 6796 C C . GLU A 1 27 ? -9.949 7.934 -1.974 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 5 +ATOM 6797 O O . GLU A 1 27 ? -9.013 8.709 -2.164 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 5 +ATOM 6798 C CB . GLU A 1 27 ? -11.993 8.179 -3.368 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 5 +ATOM 6799 C CG . GLU A 1 27 ? -12.632 7.939 -4.709 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 5 +ATOM 6800 C CD . GLU A 1 27 ? -11.710 8.284 -5.842 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 5 +ATOM 6801 O OE1 . GLU A 1 27 ? -11.603 9.471 -6.198 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 5 +ATOM 6802 O OE2 . GLU A 1 27 ? -11.058 7.380 -6.394 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 5 +ATOM 6803 H H . GLU A 1 27 ? -11.927 5.635 -2.963 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 5 +ATOM 6804 H HA . GLU A 1 27 ? -10.097 7.460 -4.025 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 5 +ATOM 6805 H HB2 . GLU A 1 27 ? -12.707 7.918 -2.600 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 5 +ATOM 6806 H HB3 . GLU A 1 27 ? -11.755 9.229 -3.284 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 5 +ATOM 6807 H HG2 . GLU A 1 27 ? -12.889 6.894 -4.779 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 5 +ATOM 6808 H HG3 . GLU A 1 27 ? -13.525 8.540 -4.787 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 5 +ATOM 6809 N N . GLN A 1 28 ? -10.318 7.522 -0.768 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 5 +ATOM 6810 C CA . GLN A 1 28 ? -9.626 7.976 0.432 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 5 +ATOM 6811 C C . GLN A 1 28 ? -8.198 7.443 0.416 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 5 +ATOM 6812 O O . GLN A 1 28 ? -7.246 8.180 0.645 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 5 +ATOM 6813 C CB . GLN A 1 28 ? -10.329 7.494 1.707 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 5 +ATOM 6814 C CG . GLN A 1 28 ? -11.779 7.847 1.835 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 5 +ATOM 6815 C CD . GLN A 1 28 ? -12.051 9.305 1.735 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 5 +ATOM 6816 O OE1 . GLN A 1 28 ? -11.230 10.160 2.112 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 5 +ATOM 6817 N NE2 . GLN A 1 28 ? -13.176 9.614 1.211 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 5 +ATOM 6818 H H . GLN A 1 28 ? -11.073 6.896 -0.695 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 5 +ATOM 6819 H HA . GLN A 1 28 ? -9.602 9.055 0.417 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 5 +ATOM 6820 H HB2 . GLN A 1 28 ? -10.344 6.421 1.664 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 5 +ATOM 6821 H HB3 . GLN A 1 28 ? -9.802 7.839 2.584 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 5 +ATOM 6822 H HG2 . GLN A 1 28 ? -12.328 7.350 1.049 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 5 +ATOM 6823 H HG3 . GLN A 1 28 ? -12.136 7.493 2.789 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 5 +ATOM 6824 H HE21 . GLN A 1 28 ? -13.785 8.907 0.908 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 5 +ATOM 6825 H HE22 . GLN A 1 28 ? -13.395 10.561 1.144 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 5 +ATOM 6826 N N . LEU A 1 29 ? -8.069 6.162 0.112 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 5 +ATOM 6827 C CA . LEU A 1 29 ? -6.773 5.495 0.021 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 5 +ATOM 6828 C C . LEU A 1 29 ? -5.908 6.123 -1.069 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 5 +ATOM 6829 O O . LEU A 1 29 ? -4.714 6.308 -0.888 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 5 +ATOM 6830 C CB . LEU A 1 29 ? -6.971 4.005 -0.245 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 5 +ATOM 6831 C CG . LEU A 1 29 ? -7.660 3.212 0.875 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 5 +ATOM 6832 C CD1 . LEU A 1 29 ? -7.969 1.801 0.419 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 5 +ATOM 6833 C CD2 . LEU A 1 29 ? -6.789 3.179 2.125 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 5 +ATOM 6834 H H . LEU A 1 29 ? -8.884 5.637 -0.046 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 5 +ATOM 6835 H HA . LEU A 1 29 ? -6.271 5.617 0.970 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 5 +ATOM 6836 H HB2 . LEU A 1 29 ? -7.561 3.916 -1.145 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 5 +ATOM 6837 H HB3 . LEU A 1 29 ? -6.003 3.569 -0.432 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 5 +ATOM 6838 H HG . LEU A 1 29 ? -8.593 3.694 1.124 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 5 +ATOM 6839 H HD11 . LEU A 1 29 ? -8.440 1.259 1.227 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 5 +ATOM 6840 H HD12 . LEU A 1 29 ? -7.053 1.305 0.136 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 5 +ATOM 6841 H HD13 . LEU A 1 29 ? -8.639 1.833 -0.428 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 5 +ATOM 6842 H HD21 . LEU A 1 29 ? -7.278 2.588 2.886 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 5 +ATOM 6843 H HD22 . LEU A 1 29 ? -6.642 4.183 2.494 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 5 +ATOM 6844 H HD23 . LEU A 1 29 ? -5.832 2.737 1.888 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 5 +ATOM 6845 N N . LYS A 1 30 ? -6.535 6.449 -2.190 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 5 +ATOM 6846 C CA . LYS A 1 30 ? -5.879 7.126 -3.304 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 5 +ATOM 6847 C C . LYS A 1 30 ? -5.272 8.442 -2.837 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 5 +ATOM 6848 O O . LYS A 1 30 ? -4.131 8.744 -3.161 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 5 +ATOM 6849 C CB . LYS A 1 30 ? -6.901 7.427 -4.395 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 5 +ATOM 6850 C CG . LYS A 1 30 ? -6.322 8.104 -5.627 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 5 +ATOM 6851 C CD . LYS A 1 30 ? -7.412 8.670 -6.525 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 5 +ATOM 6852 C CE . LYS A 1 30 ? -8.058 9.906 -5.896 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 5 +ATOM 6853 N NZ . LYS A 1 30 ? -9.157 10.446 -6.723 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 5 +ATOM 6854 H H . LYS A 1 30 ? -7.473 6.175 -2.292 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 5 +ATOM 6855 H HA . LYS A 1 30 ? -5.109 6.485 -3.709 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 5 +ATOM 6856 H HB2 . LYS A 1 30 ? -7.346 6.491 -4.702 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 5 +ATOM 6857 H HB3 . LYS A 1 30 ? -7.674 8.052 -3.975 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 5 +ATOM 6858 H HG2 . LYS A 1 30 ? -5.698 8.917 -5.285 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 5 +ATOM 6859 H HG3 . LYS A 1 30 ? -5.730 7.389 -6.179 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 5 +ATOM 6860 H HD2 . LYS A 1 30 ? -6.977 8.946 -7.473 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 5 +ATOM 6861 H HD3 . LYS A 1 30 ? -8.171 7.916 -6.679 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 5 +ATOM 6862 H HE2 . LYS A 1 30 ? -8.451 9.646 -4.925 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 5 +ATOM 6863 H HE3 . LYS A 1 30 ? -7.295 10.663 -5.770 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 5 +ATOM 6864 H HZ1 . LYS A 1 30 ? -9.450 11.385 -6.389 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 5 +ATOM 6865 H HZ2 . LYS A 1 30 ? -10.017 9.856 -6.650 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 5 +ATOM 6866 H HZ3 . LYS A 1 30 ? -8.891 10.525 -7.725 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 5 +ATOM 6867 N N . LYS A 1 31 ? -6.041 9.202 -2.046 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 5 +ATOM 6868 C CA . LYS A 1 31 ? -5.566 10.476 -1.485 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 5 +ATOM 6869 C C . LYS A 1 31 ? -4.319 10.226 -0.679 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 5 +ATOM 6870 O O . LYS A 1 31 ? -3.345 10.963 -0.776 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 5 +ATOM 6871 C CB . LYS A 1 31 ? -6.589 11.089 -0.535 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 5 +ATOM 6872 C CG . LYS A 1 31 ? -7.937 11.429 -1.115 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 5 +ATOM 6873 C CD . LYS A 1 31 ? -8.851 11.905 0.001 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 5 +ATOM 6874 C CE . LYS A 1 31 ? -10.248 12.209 -0.487 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 5 +ATOM 6875 N NZ . LYS A 1 31 ? -11.136 12.563 0.638 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 5 +ATOM 6876 H H . LYS A 1 31 ? -6.952 8.889 -1.857 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 5 +ATOM 6877 H HA . LYS A 1 31 ? -5.361 11.166 -2.289 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 5 +ATOM 6878 H HB2 . LYS A 1 31 ? -6.751 10.400 0.279 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 5 +ATOM 6879 H HB3 . LYS A 1 31 ? -6.158 11.994 -0.131 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 5 +ATOM 6880 H HG2 . LYS A 1 31 ? -7.822 12.212 -1.851 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 5 +ATOM 6881 H HG3 . LYS A 1 31 ? -8.364 10.548 -1.572 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 5 +ATOM 6882 H HD2 . LYS A 1 31 ? -8.911 11.139 0.760 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 5 +ATOM 6883 H HD3 . LYS A 1 31 ? -8.428 12.799 0.434 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 5 +ATOM 6884 H HE2 . LYS A 1 31 ? -10.205 13.039 -1.178 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 5 +ATOM 6885 H HE3 . LYS A 1 31 ? -10.642 11.338 -0.988 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 5 +ATOM 6886 H HZ1 . LYS A 1 31 ? -11.225 11.779 1.319 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 5 +ATOM 6887 H HZ2 . LYS A 1 31 ? -12.094 12.790 0.304 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 5 +ATOM 6888 H HZ3 . LYS A 1 31 ? -10.790 13.395 1.155 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 5 +ATOM 6889 N N . LYS A 1 32 ? -4.364 9.158 0.103 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 5 +ATOM 6890 C CA . LYS A 1 32 ? -3.260 8.773 0.945 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 5 +ATOM 6891 C C . LYS A 1 32 ? -2.033 8.440 0.168 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 5 +ATOM 6892 O O . LYS A 1 32 ? -0.950 8.822 0.557 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 5 +ATOM 6893 C CB . LYS A 1 32 ? -3.621 7.665 1.938 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 5 +ATOM 6894 C CG . LYS A 1 32 ? -4.178 8.161 3.262 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 5 +ATOM 6895 C CD . LYS A 1 32 ? -5.444 8.968 3.107 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 5 +ATOM 6896 C CE . LYS A 1 32 ? -5.872 9.546 4.431 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 5 +ATOM 6897 N NZ . LYS A 1 32 ? -4.858 10.477 4.975 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 5 +ATOM 6898 H H . LYS A 1 32 ? -5.181 8.612 0.104 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 5 +ATOM 6899 H HA . LYS A 1 32 ? -3.020 9.659 1.503 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 5 +ATOM 6900 H HB2 . LYS A 1 32 ? -4.362 7.027 1.481 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 5 +ATOM 6901 H HB3 . LYS A 1 32 ? -2.735 7.080 2.136 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 5 +ATOM 6902 H HG2 . LYS A 1 32 ? -4.398 7.313 3.893 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 5 +ATOM 6903 H HG3 . LYS A 1 32 ? -3.429 8.775 3.739 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 5 +ATOM 6904 H HD2 . LYS A 1 32 ? -5.261 9.774 2.413 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 5 +ATOM 6905 H HD3 . LYS A 1 32 ? -6.229 8.332 2.725 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 5 +ATOM 6906 H HE2 . LYS A 1 32 ? -6.814 10.062 4.316 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 5 +ATOM 6907 H HE3 . LYS A 1 32 ? -5.981 8.716 5.116 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 5 +ATOM 6908 H HZ1 . LYS A 1 32 ? -4.004 9.951 5.250 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 5 +ATOM 6909 H HZ2 . LYS A 1 32 ? -5.202 10.935 5.842 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 5 +ATOM 6910 H HZ3 . LYS A 1 32 ? -4.570 11.198 4.277 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 5 +ATOM 6911 N N . LEU A 1 33 ? -2.204 7.761 -0.929 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 5 +ATOM 6912 C CA . LEU A 1 33 ? -1.096 7.425 -1.785 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 5 +ATOM 6913 C C . LEU A 1 33 ? -0.465 8.692 -2.328 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 5 +ATOM 6914 O O . LEU A 1 33 ? 0.743 8.870 -2.264 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 5 +ATOM 6915 C CB . LEU A 1 33 ? -1.561 6.529 -2.930 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 5 +ATOM 6916 C CG . LEU A 1 33 ? -2.193 5.205 -2.512 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 5 +ATOM 6917 C CD1 . LEU A 1 33 ? -2.631 4.414 -3.727 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 5 +ATOM 6918 C CD2 . LEU A 1 33 ? -1.230 4.400 -1.653 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 5 +ATOM 6919 H H . LEU A 1 33 ? -3.112 7.465 -1.160 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 5 +ATOM 6920 H HA . LEU A 1 33 ? -0.367 6.890 -1.194 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 5 +ATOM 6921 H HB2 . LEU A 1 33 ? -2.283 7.080 -3.516 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 5 +ATOM 6922 H HB3 . LEU A 1 33 ? -0.711 6.312 -3.557 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 5 +ATOM 6923 H HG . LEU A 1 33 ? -3.075 5.414 -1.925 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 5 +ATOM 6924 H HD11 . LEU A 1 33 ? -1.778 4.222 -4.359 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 5 +ATOM 6925 H HD12 . LEU A 1 33 ? -3.366 4.978 -4.282 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 5 +ATOM 6926 H HD13 . LEU A 1 33 ? -3.064 3.477 -3.414 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 5 +ATOM 6927 H HD21 . LEU A 1 33 ? -0.307 4.236 -2.189 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 5 +ATOM 6928 H HD22 . LEU A 1 33 ? -1.677 3.445 -1.420 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 5 +ATOM 6929 H HD23 . LEU A 1 33 ? -1.028 4.935 -0.737 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 5 +ATOM 6930 N N . VAL A 1 34 ? -1.305 9.595 -2.783 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 5 +ATOM 6931 C CA . VAL A 1 34 ? -0.855 10.835 -3.371 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 5 +ATOM 6932 C C . VAL A 1 34 ? -0.122 11.710 -2.344 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 5 +ATOM 6933 O O . VAL A 1 34 ? 0.959 12.240 -2.634 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 5 +ATOM 6934 C CB . VAL A 1 34 ? -2.043 11.615 -4.000 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 5 +ATOM 6935 C CG1 . VAL A 1 34 ? -1.581 12.914 -4.618 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 5 +ATOM 6936 C CG2 . VAL A 1 34 ? -2.734 10.757 -5.036 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 5 +ATOM 6937 H H . VAL A 1 34 ? -2.270 9.415 -2.712 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 5 +ATOM 6938 H HA . VAL A 1 34 ? -0.157 10.588 -4.158 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 5 +ATOM 6939 H HB . VAL A 1 34 ? -2.765 11.844 -3.227 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 5 +ATOM 6940 H HG11 . VAL A 1 34 ? -2.421 13.416 -5.072 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 5 +ATOM 6941 H HG12 . VAL A 1 34 ? -0.822 12.716 -5.360 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 5 +ATOM 6942 H HG13 . VAL A 1 34 ? -1.174 13.536 -3.833 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 5 +ATOM 6943 H HG21 . VAL A 1 34 ? -2.039 10.492 -5.817 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 5 +ATOM 6944 H HG22 . VAL A 1 34 ? -3.576 11.295 -5.444 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 5 +ATOM 6945 H HG23 . VAL A 1 34 ? -3.080 9.864 -4.534 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 5 +ATOM 6946 N N . GLU A 1 35 ? -0.681 11.834 -1.147 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 5 +ATOM 6947 C CA . GLU A 1 35 ? -0.048 12.633 -0.106 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 5 +ATOM 6948 C C . GLU A 1 35 ? 1.252 11.979 0.400 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 5 +ATOM 6949 O O . GLU A 1 35 ? 2.306 12.642 0.491 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 5 +ATOM 6950 C CB . GLU A 1 35 ? -1.012 12.954 1.068 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 5 +ATOM 6951 C CG . GLU A 1 35 ? -1.586 11.742 1.774 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 5 +ATOM 6952 C CD . GLU A 1 35 ? -2.309 12.068 3.058 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 5 +ATOM 6953 O OE1 . GLU A 1 35 ? -1.630 12.295 4.085 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 5 +ATOM 6954 O OE2 . GLU A 1 35 ? -3.564 12.098 3.082 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 5 +ATOM 6955 H H . GLU A 1 35 ? -1.543 11.392 -0.967 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 5 +ATOM 6956 H HA . GLU A 1 35 ? 0.235 13.561 -0.583 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 5 +ATOM 6957 H HB2 . GLU A 1 35 ? -0.492 13.545 1.805 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 5 +ATOM 6958 H HB3 . GLU A 1 35 ? -1.835 13.534 0.677 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 5 +ATOM 6959 H HG2 . GLU A 1 35 ? -2.296 11.314 1.084 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 5 +ATOM 6960 H HG3 . GLU A 1 35 ? -0.793 11.034 1.969 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 5 +ATOM 6961 N N . VAL A 1 36 ? 1.195 10.663 0.622 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 5 +ATOM 6962 C CA . VAL A 1 36 ? 2.280 9.907 1.228 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 5 +ATOM 6963 C C . VAL A 1 36 ? 3.546 9.948 0.386 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 5 +ATOM 6964 O O . VAL A 1 36 ? 4.631 9.905 0.917 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 5 +ATOM 6965 C CB . VAL A 1 36 ? 1.901 8.435 1.597 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 5 +ATOM 6966 C CG1 . VAL A 1 36 ? 1.928 7.490 0.398 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 5 +ATOM 6967 C CG2 . VAL A 1 36 ? 2.768 7.927 2.724 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 5 +ATOM 6968 H H . VAL A 1 36 ? 0.380 10.170 0.372 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 5 +ATOM 6969 H HA . VAL A 1 36 ? 2.513 10.433 2.145 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 5 +ATOM 6970 H HB . VAL A 1 36 ? 0.881 8.458 1.951 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 5 +ATOM 6971 H HG11 . VAL A 1 36 ? 1.251 7.860 -0.358 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 5 +ATOM 6972 H HG12 . VAL A 1 36 ? 1.625 6.499 0.702 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 5 +ATOM 6973 H HG13 . VAL A 1 36 ? 2.928 7.454 -0.009 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 5 +ATOM 6974 H HG21 . VAL A 1 36 ? 3.795 8.023 2.413 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 5 +ATOM 6975 H HG22 . VAL A 1 36 ? 2.542 6.889 2.919 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 5 +ATOM 6976 H HG23 . VAL A 1 36 ? 2.602 8.511 3.615 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 5 +ATOM 6977 N N . LEU A 1 37 ? 3.384 10.070 -0.927 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 5 +ATOM 6978 C CA . LEU A 1 37 ? 4.495 10.063 -1.878 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 5 +ATOM 6979 C C . LEU A 1 37 ? 5.605 11.075 -1.562 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 5 +ATOM 6980 O O . LEU A 1 37 ? 6.740 10.865 -1.984 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 5 +ATOM 6981 C CB . LEU A 1 37 ? 3.999 10.269 -3.313 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 5 +ATOM 6982 C CG . LEU A 1 37 ? 3.160 9.140 -3.903 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 5 +ATOM 6983 C CD1 . LEU A 1 37 ? 2.696 9.488 -5.303 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 5 +ATOM 6984 C CD2 . LEU A 1 37 ? 3.940 7.832 -3.905 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 5 +ATOM 6985 H H . LEU A 1 37 ? 2.467 10.127 -1.274 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 5 +ATOM 6986 H HA . LEU A 1 37 ? 4.939 9.081 -1.827 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 5 +ATOM 6987 H HB2 . LEU A 1 37 ? 3.404 11.169 -3.330 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 5 +ATOM 6988 H HB3 . LEU A 1 37 ? 4.855 10.419 -3.954 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 5 +ATOM 6989 H HG . LEU A 1 37 ? 2.281 9.005 -3.290 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 5 +ATOM 6990 H HD11 . LEU A 1 37 ? 2.112 10.396 -5.272 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 5 +ATOM 6991 H HD12 . LEU A 1 37 ? 2.090 8.685 -5.692 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 5 +ATOM 6992 H HD13 . LEU A 1 37 ? 3.556 9.634 -5.938 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 5 +ATOM 6993 H HD21 . LEU A 1 37 ? 4.873 7.973 -4.427 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 5 +ATOM 6994 H HD22 . LEU A 1 37 ? 3.364 7.081 -4.424 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 5 +ATOM 6995 H HD23 . LEU A 1 37 ? 4.130 7.506 -2.893 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 5 +ATOM 6996 N N . GLU A 1 38 ? 5.305 12.172 -0.851 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 5 +ATOM 6997 C CA . GLU A 1 38 ? 6.378 13.111 -0.511 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 5 +ATOM 6998 C C . GLU A 1 38 ? 7.287 12.559 0.607 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 5 +ATOM 6999 O O . GLU A 1 38 ? 8.434 12.966 0.730 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 5 +ATOM 7000 C CB . GLU A 1 38 ? 5.863 14.519 -0.167 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 5 +ATOM 7001 C CG . GLU A 1 38 ? 4.977 14.622 1.064 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 5 +ATOM 7002 C CD . GLU A 1 38 ? 4.495 16.036 1.291 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 5 +ATOM 7003 O OE1 . GLU A 1 38 ? 5.216 16.832 1.928 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 5 +ATOM 7004 O OE2 . GLU A 1 38 ? 3.392 16.389 0.813 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 5 +ATOM 7005 H H . GLU A 1 38 ? 4.381 12.329 -0.555 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 5 +ATOM 7006 H HA . GLU A 1 38 ? 6.994 13.170 -1.397 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 5 +ATOM 7007 H HB2 . GLU A 1 38 ? 6.715 15.165 -0.012 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 5 +ATOM 7008 H HB3 . GLU A 1 38 ? 5.309 14.895 -1.014 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 5 +ATOM 7009 H HG2 . GLU A 1 38 ? 4.118 13.976 0.938 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 5 +ATOM 7010 H HG3 . GLU A 1 38 ? 5.543 14.307 1.929 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 5 +ATOM 7011 N N . SER A 1 39 ? 6.771 11.620 1.391 1.00 0.00 ? ? ? ? ? ? 36 SER A N 5 +ATOM 7012 C CA . SER A 1 39 ? 7.532 10.986 2.458 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 5 +ATOM 7013 C C . SER A 1 39 ? 6.850 9.691 2.954 1.00 0.00 ? ? ? ? ? ? 36 SER A C 5 +ATOM 7014 O O . SER A 1 39 ? 6.113 9.694 3.935 1.00 0.00 ? ? ? ? ? ? 36 SER A O 5 +ATOM 7015 C CB . SER A 1 39 ? 7.839 11.975 3.609 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 5 +ATOM 7016 O OG . SER A 1 39 ? 6.679 12.719 3.983 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 5 +ATOM 7017 H H . SER A 1 39 ? 5.858 11.293 1.224 1.00 0.00 ? ? ? ? ? ? 36 SER A H 5 +ATOM 7018 H HA . SER A 1 39 ? 8.466 10.680 2.008 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 5 +ATOM 7019 H HB2 . SER A 1 39 ? 8.185 11.426 4.472 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 5 +ATOM 7020 H HB3 . SER A 1 39 ? 8.608 12.665 3.293 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 5 +ATOM 7021 H HG . SER A 1 39 ? 6.076 12.690 3.234 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 5 +ATOM 7022 N N . PRO A 1 40 ? 7.005 8.580 2.200 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 5 +ATOM 7023 C CA . PRO A 1 40 ? 6.419 7.291 2.573 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 5 +ATOM 7024 C C . PRO A 1 40 ? 7.306 6.492 3.519 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 5 +ATOM 7025 O O . PRO A 1 40 ? 6.878 5.514 4.101 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 5 +ATOM 7026 C CB . PRO A 1 40 ? 6.284 6.579 1.230 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 5 +ATOM 7027 C CG . PRO A 1 40 ? 7.435 7.088 0.430 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 5 +ATOM 7028 C CD . PRO A 1 40 ? 7.668 8.512 0.877 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 5 +ATOM 7029 H HA . PRO A 1 40 ? 5.450 7.397 3.032 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 5 +ATOM 7030 H HB2 . PRO A 1 40 ? 6.339 5.509 1.378 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 5 +ATOM 7031 H HB3 . PRO A 1 40 ? 5.341 6.837 0.770 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 5 +ATOM 7032 H HG2 . PRO A 1 40 ? 8.309 6.486 0.630 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 5 +ATOM 7033 H HG3 . PRO A 1 40 ? 7.196 7.058 -0.623 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 5 +ATOM 7034 H HD2 . PRO A 1 40 ? 8.724 8.721 0.962 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 5 +ATOM 7035 H HD3 . PRO A 1 40 ? 7.196 9.195 0.186 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 5 +ATOM 7036 N N . ARG A 1 41 ? 8.524 6.953 3.708 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 5 +ATOM 7037 C CA . ARG A 1 41 ? 9.492 6.263 4.550 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 5 +ATOM 7038 C C . ARG A 1 41 ? 9.335 6.597 6.040 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 5 +ATOM 7039 O O . ARG A 1 41 ? 10.304 6.603 6.809 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 5 +ATOM 7040 C CB . ARG A 1 41 ? 10.933 6.474 4.013 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 5 +ATOM 7041 C CG . ARG A 1 41 ? 11.368 7.914 3.700 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 5 +ATOM 7042 C CD . ARG A 1 41 ? 11.609 8.762 4.938 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 5 +ATOM 7043 N NE . ARG A 1 41 ? 12.145 10.083 4.593 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 5 +ATOM 7044 C CZ . ARG A 1 41 ? 13.135 10.714 5.252 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 5 +ATOM 7045 N NH1 . ARG A 1 41 ? 13.750 10.124 6.275 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 5 +ATOM 7046 N NH2 . ARG A 1 41 ? 13.523 11.918 4.864 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 5 +ATOM 7047 H H . ARG A 1 41 ? 8.765 7.788 3.258 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 5 +ATOM 7048 H HA . ARG A 1 41 ? 9.253 5.214 4.454 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 5 +ATOM 7049 H HB2 . ARG A 1 41 ? 11.625 6.083 4.744 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 5 +ATOM 7050 H HB3 . ARG A 1 41 ? 11.035 5.889 3.111 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 5 +ATOM 7051 H HG2 . ARG A 1 41 ? 12.277 7.887 3.120 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 5 +ATOM 7052 H HG3 . ARG A 1 41 ? 10.594 8.375 3.105 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 5 +ATOM 7053 H HD2 . ARG A 1 41 ? 10.669 8.885 5.454 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 5 +ATOM 7054 H HD3 . ARG A 1 41 ? 12.305 8.250 5.583 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 5 +ATOM 7055 H HE . ARG A 1 41 ? 11.722 10.501 3.807 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 5 +ATOM 7056 H HH11 . ARG A 1 41 ? 13.509 9.202 6.592 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 5 +ATOM 7057 H HH12 . ARG A 1 41 ? 14.495 10.584 6.770 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 5 +ATOM 7058 H HH21 . ARG A 1 41 ? 13.110 12.395 4.086 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 5 +ATOM 7059 H HH22 . ARG A 1 41 ? 14.261 12.407 5.339 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 5 +ATOM 7060 N N . ILE A 1 42 ? 8.104 6.806 6.446 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 5 +ATOM 7061 C CA . ILE A 1 42 ? 7.790 7.106 7.814 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 5 +ATOM 7062 C C . ILE A 1 42 ? 7.698 5.810 8.600 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 5 +ATOM 7063 O O . ILE A 1 42 ? 6.763 5.018 8.443 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 5 +ATOM 7064 C CB . ILE A 1 42 ? 6.489 7.945 7.949 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 5 +ATOM 7065 C CG1 . ILE A 1 42 ? 6.687 9.291 7.236 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 5 +ATOM 7066 C CG2 . ILE A 1 42 ? 6.121 8.157 9.423 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 5 +ATOM 7067 C CD1 . ILE A 1 42 ? 5.480 10.200 7.260 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 5 +ATOM 7068 H H . ILE A 1 42 ? 7.380 6.704 5.793 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 5 +ATOM 7069 H HA . ILE A 1 42 ? 8.620 7.675 8.207 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 5 +ATOM 7070 H HB . ILE A 1 42 ? 5.683 7.412 7.465 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 5 +ATOM 7071 H HG12 . ILE A 1 42 ? 7.498 9.815 7.718 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 5 +ATOM 7072 H HG13 . ILE A 1 42 ? 6.952 9.107 6.206 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 5 +ATOM 7073 H HG21 . ILE A 1 42 ? 6.922 8.677 9.926 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 5 +ATOM 7074 H HG22 . ILE A 1 42 ? 5.964 7.197 9.895 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 5 +ATOM 7075 H HG23 . ILE A 1 42 ? 5.216 8.742 9.485 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 5 +ATOM 7076 H HD11 . ILE A 1 42 ? 5.702 11.106 6.717 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 5 +ATOM 7077 H HD12 . ILE A 1 42 ? 5.226 10.442 8.281 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 5 +ATOM 7078 H HD13 . ILE A 1 42 ? 4.649 9.695 6.792 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 5 +ATOM 7079 N N . GLU A 1 43 ? 8.665 5.643 9.454 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 5 +ATOM 7080 C CA . GLU A 1 43 ? 8.897 4.462 10.270 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 5 +ATOM 7081 C C . GLU A 1 43 ? 7.687 4.065 11.118 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 5 +ATOM 7082 O O . GLU A 1 43 ? 7.465 2.879 11.381 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 5 +ATOM 7083 C CB . GLU A 1 43 ? 10.157 4.652 11.153 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 5 +ATOM 7084 C CG . GLU A 1 43 ? 10.180 5.927 12.027 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 5 +ATOM 7085 C CD . GLU A 1 43 ? 10.334 7.222 11.238 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 5 +ATOM 7086 O OE1 . GLU A 1 43 ? 11.463 7.562 10.844 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 5 +ATOM 7087 O OE2 . GLU A 1 43 ? 9.318 7.897 10.971 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 5 +ATOM 7088 H H . GLU A 1 43 ? 9.278 6.404 9.561 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 5 +ATOM 7089 H HA . GLU A 1 43 ? 9.097 3.650 9.590 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 5 +ATOM 7090 H HB2 . GLU A 1 43 ? 10.241 3.803 11.815 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 5 +ATOM 7091 H HB3 . GLU A 1 43 ? 11.025 4.672 10.509 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 5 +ATOM 7092 H HG2 . GLU A 1 43 ? 9.235 5.975 12.548 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 5 +ATOM 7093 H HG3 . GLU A 1 43 ? 10.985 5.849 12.741 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 5 +ATOM 7094 N N . ALA A 1 44 ? 6.885 5.037 11.492 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 5 +ATOM 7095 C CA . ALA A 1 44 ? 5.689 4.795 12.287 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 5 +ATOM 7096 C C . ALA A 1 44 ? 4.619 4.050 11.482 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 5 +ATOM 7097 O O . ALA A 1 44 ? 3.650 3.524 12.037 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 5 +ATOM 7098 C CB . ALA A 1 44 ? 5.133 6.101 12.804 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 5 +ATOM 7099 H H . ALA A 1 44 ? 7.122 5.954 11.237 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 5 +ATOM 7100 H HA . ALA A 1 44 ? 5.975 4.187 13.133 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 5 +ATOM 7101 H HB1 . ALA A 1 44 ? 4.262 5.896 13.408 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 5 +ATOM 7102 H HB2 . ALA A 1 44 ? 4.859 6.734 11.973 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 5 +ATOM 7103 H HB3 . ALA A 1 44 ? 5.881 6.593 13.407 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 5 +ATOM 7104 N N . ASN A 1 45 ? 4.792 3.992 10.179 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 5 +ATOM 7105 C CA . ASN A 1 45 ? 3.841 3.319 9.326 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 5 +ATOM 7106 C C . ASN A 1 45 ? 4.423 2.071 8.730 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 5 +ATOM 7107 O O . ASN A 1 45 ? 3.796 1.444 7.906 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 5 +ATOM 7108 C CB . ASN A 1 45 ? 3.294 4.232 8.211 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 5 +ATOM 7109 C CG . ASN A 1 45 ? 2.456 5.376 8.735 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 5 +ATOM 7110 O OD1 . ASN A 1 45 ? 1.251 5.239 8.944 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 5 +ATOM 7111 N ND2 . ASN A 1 45 ? 3.064 6.519 8.914 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 5 +ATOM 7112 H H . ASN A 1 45 ? 5.585 4.407 9.769 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 5 +ATOM 7113 H HA . ASN A 1 45 ? 3.012 3.014 9.947 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 5 +ATOM 7114 H HB2 . ASN A 1 45 ? 4.124 4.650 7.662 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 5 +ATOM 7115 H HB3 . ASN A 1 45 ? 2.688 3.641 7.539 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 5 +ATOM 7116 H HD21 . ASN A 1 45 ? 4.017 6.589 8.701 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 5 +ATOM 7117 H HD22 . ASN A 1 45 ? 2.533 7.265 9.266 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 5 +ATOM 7118 N N . LYS A 1 46 ? 5.594 1.667 9.162 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 5 +ATOM 7119 C CA . LYS A 1 46 ? 6.164 0.467 8.609 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 5 +ATOM 7120 C C . LYS A 1 46 ? 5.740 -0.744 9.393 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 5 +ATOM 7121 O O . LYS A 1 46 ? 5.416 -0.642 10.581 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 5 +ATOM 7122 C CB . LYS A 1 46 ? 7.681 0.541 8.369 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 5 +ATOM 7123 C CG . LYS A 1 46 ? 8.589 0.417 9.567 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 5 +ATOM 7124 C CD . LYS A 1 46 ? 10.028 0.789 9.185 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 5 +ATOM 7125 C CE . LYS A 1 46 ? 10.562 -0.033 8.000 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 5 +ATOM 7126 N NZ . LYS A 1 46 ? 11.901 0.427 7.570 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 5 +ATOM 7127 H H . LYS A 1 46 ? 6.067 2.160 9.868 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 5 +ATOM 7128 H HA . LYS A 1 46 ? 5.673 0.365 7.655 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 5 +ATOM 7129 H HB2 . LYS A 1 46 ? 7.940 -0.256 7.690 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 5 +ATOM 7130 H HB3 . LYS A 1 46 ? 7.885 1.481 7.878 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 5 +ATOM 7131 H HG2 . LYS A 1 46 ? 8.237 1.063 10.358 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 5 +ATOM 7132 H HG3 . LYS A 1 46 ? 8.571 -0.615 9.883 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 5 +ATOM 7133 H HD2 . LYS A 1 46 ? 10.052 1.834 8.914 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 5 +ATOM 7134 H HD3 . LYS A 1 46 ? 10.665 0.630 10.042 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 5 +ATOM 7135 H HE2 . LYS A 1 46 ? 10.620 -1.073 8.280 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 5 +ATOM 7136 H HE3 . LYS A 1 46 ? 9.880 0.072 7.169 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 5 +ATOM 7137 H HZ1 . LYS A 1 46 ? 12.631 0.219 8.281 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 5 +ATOM 7138 H HZ2 . LYS A 1 46 ? 11.891 1.463 7.472 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 5 +ATOM 7139 H HZ3 . LYS A 1 46 ? 12.198 0.036 6.648 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 5 +ATOM 7140 N N . LEU A 1 47 ? 5.605 -1.842 8.706 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 5 +ATOM 7141 C CA . LEU A 1 47 ? 5.208 -3.095 9.306 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 5 +ATOM 7142 C C . LEU A 1 47 ? 6.322 -3.638 10.191 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 5 +ATOM 7143 O O . LEU A 1 47 ? 7.495 -3.312 9.989 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 5 +ATOM 7144 C CB . LEU A 1 47 ? 4.825 -4.100 8.225 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 5 +ATOM 7145 C CG . LEU A 1 47 ? 3.601 -3.736 7.376 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 5 +ATOM 7146 C CD1 . LEU A 1 47 ? 3.393 -4.750 6.289 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 5 +ATOM 7147 C CD2 . LEU A 1 47 ? 2.365 -3.678 8.229 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 5 +ATOM 7148 H H . LEU A 1 47 ? 5.811 -1.811 7.743 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 5 +ATOM 7149 H HA . LEU A 1 47 ? 4.346 -2.893 9.922 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 5 +ATOM 7150 H HB2 . LEU A 1 47 ? 5.672 -4.173 7.561 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 5 +ATOM 7151 H HB3 . LEU A 1 47 ? 4.654 -5.061 8.686 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 5 +ATOM 7152 H HG . LEU A 1 47 ? 3.743 -2.767 6.922 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 5 +ATOM 7153 H HD11 . LEU A 1 47 ? 4.250 -4.773 5.633 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 5 +ATOM 7154 H HD12 . LEU A 1 47 ? 2.508 -4.470 5.739 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 5 +ATOM 7155 H HD13 . LEU A 1 47 ? 3.240 -5.721 6.737 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 5 +ATOM 7156 H HD21 . LEU A 1 47 ? 2.502 -2.958 9.020 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 5 +ATOM 7157 H HD22 . LEU A 1 47 ? 2.176 -4.654 8.653 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 5 +ATOM 7158 H HD23 . LEU A 1 47 ? 1.527 -3.383 7.616 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 5 +ATOM 7159 N N . ARG A 1 48 ? 5.945 -4.457 11.150 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 5 +ATOM 7160 C CA . ARG A 1 48 ? 6.846 -4.977 12.153 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 5 +ATOM 7161 C C . ARG A 1 48 ? 8.024 -5.792 11.601 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 5 +ATOM 7162 O O . ARG A 1 48 ? 9.166 -5.460 11.871 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 5 +ATOM 7163 C CB . ARG A 1 48 ? 6.072 -5.729 13.245 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 5 +ATOM 7164 C CG . ARG A 1 48 ? 5.175 -6.862 12.759 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 5 +ATOM 7165 C CD . ARG A 1 48 ? 4.447 -7.514 13.920 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 5 +ATOM 7166 N NE . ARG A 1 48 ? 5.379 -8.129 14.874 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 5 +ATOM 7167 C CZ . ARG A 1 48 ? 5.162 -8.278 16.194 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 5 +ATOM 7168 N NH1 . ARG A 1 48 ? 4.054 -7.798 16.757 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 5 +ATOM 7169 N NH2 . ARG A 1 48 ? 6.064 -8.887 16.946 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 5 +ATOM 7170 H H . ARG A 1 48 ? 5.001 -4.714 11.206 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 5 +ATOM 7171 H HA . ARG A 1 48 ? 7.283 -4.108 12.621 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 5 +ATOM 7172 H HB2 . ARG A 1 48 ? 6.791 -6.153 13.926 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 5 +ATOM 7173 H HB3 . ARG A 1 48 ? 5.462 -5.020 13.786 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 5 +ATOM 7174 H HG2 . ARG A 1 48 ? 4.449 -6.473 12.060 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 5 +ATOM 7175 H HG3 . ARG A 1 48 ? 5.787 -7.603 12.266 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 5 +ATOM 7176 H HD2 . ARG A 1 48 ? 3.868 -6.760 14.433 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 5 +ATOM 7177 H HD3 . ARG A 1 48 ? 3.786 -8.275 13.534 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 5 +ATOM 7178 H HE . ARG A 1 48 ? 6.210 -8.470 14.468 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 5 +ATOM 7179 H HH11 . ARG A 1 48 ? 3.354 -7.311 16.233 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 5 +ATOM 7180 H HH12 . ARG A 1 48 ? 3.874 -7.922 17.739 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 5 +ATOM 7181 H HH21 . ARG A 1 48 ? 6.923 -9.252 16.577 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 5 +ATOM 7182 H HH22 . ARG A 1 48 ? 5.928 -9.029 17.929 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 5 +ATOM 7183 N N . GLY A 1 49 ? 7.768 -6.817 10.821 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 5 +ATOM 7184 C CA . GLY A 1 49 ? 8.866 -7.636 10.364 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 5 +ATOM 7185 C C . GLY A 1 49 ? 8.953 -7.719 8.868 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 5 +ATOM 7186 O O . GLY A 1 49 ? 9.547 -8.649 8.327 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 5 +ATOM 7187 H H . GLY A 1 49 ? 6.856 -7.048 10.545 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 5 +ATOM 7188 H HA2 . GLY A 1 49 ? 9.788 -7.217 10.740 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 5 +ATOM 7189 H HA3 . GLY A 1 49 ? 8.749 -8.631 10.766 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 5 +ATOM 7190 N N . MET A 1 50 ? 8.403 -6.749 8.191 1.00 0.00 ? ? ? ? ? ? 47 MET A N 5 +ATOM 7191 C CA . MET A 1 50 ? 8.387 -6.766 6.732 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 5 +ATOM 7192 C C . MET A 1 50 ? 9.448 -5.840 6.176 1.00 0.00 ? ? ? ? ? ? 47 MET A C 5 +ATOM 7193 O O . MET A 1 50 ? 9.547 -4.687 6.617 1.00 0.00 ? ? ? ? ? ? 47 MET A O 5 +ATOM 7194 C CB . MET A 1 50 ? 7.026 -6.356 6.190 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 5 +ATOM 7195 C CG . MET A 1 50 ? 5.900 -7.328 6.490 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 5 +ATOM 7196 S SD . MET A 1 50 ? 6.080 -8.914 5.648 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 5 +ATOM 7197 C CE . MET A 1 50 ? 5.958 -8.390 3.938 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 5 +ATOM 7198 H H . MET A 1 50 ? 8.042 -5.982 8.682 1.00 0.00 ? ? ? ? ? ? 47 MET A H 5 +ATOM 7199 H HA . MET A 1 50 ? 8.598 -7.778 6.421 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 5 +ATOM 7200 H HB2 . MET A 1 50 ? 6.788 -5.395 6.613 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 5 +ATOM 7201 H HB3 . MET A 1 50 ? 7.107 -6.243 5.120 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 5 +ATOM 7202 H HG2 . MET A 1 50 ? 5.876 -7.502 7.555 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 5 +ATOM 7203 H HG3 . MET A 1 50 ? 4.966 -6.879 6.185 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 5 +ATOM 7204 H HE1 . MET A 1 50 ? 6.765 -7.717 3.691 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 5 +ATOM 7205 H HE2 . MET A 1 50 ? 5.016 -7.883 3.792 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 5 +ATOM 7206 H HE3 . MET A 1 50 ? 5.999 -9.255 3.292 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 5 +ATOM 7207 N N . PRO A 1 51 ? 10.247 -6.324 5.194 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 5 +ATOM 7208 C CA . PRO A 1 51 ? 11.326 -5.544 4.576 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 5 +ATOM 7209 C C . PRO A 1 51 ? 10.818 -4.263 3.904 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 5 +ATOM 7210 O O . PRO A 1 51 ? 10.297 -4.289 2.776 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 5 +ATOM 7211 C CB . PRO A 1 51 ? 11.943 -6.501 3.540 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 5 +ATOM 7212 C CG . PRO A 1 51 ? 10.903 -7.547 3.316 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 5 +ATOM 7213 C CD . PRO A 1 51 ? 10.162 -7.680 4.613 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 5 +ATOM 7214 H HA . PRO A 1 51 ? 12.069 -5.279 5.313 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 5 +ATOM 7215 H HB2 . PRO A 1 51 ? 12.158 -5.954 2.633 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 5 +ATOM 7216 H HB3 . PRO A 1 51 ? 12.852 -6.926 3.936 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 5 +ATOM 7217 H HG2 . PRO A 1 51 ? 10.230 -7.229 2.533 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 5 +ATOM 7218 H HG3 . PRO A 1 51 ? 11.371 -8.484 3.052 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 5 +ATOM 7219 H HD2 . PRO A 1 51 ? 9.135 -7.960 4.426 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 5 +ATOM 7220 H HD3 . PRO A 1 51 ? 10.643 -8.404 5.254 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 5 +ATOM 7221 N N . ASP A 1 52 ? 10.897 -3.173 4.662 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 5 +ATOM 7222 C CA . ASP A 1 52 ? 10.501 -1.823 4.246 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 5 +ATOM 7223 C C . ASP A 1 52 ? 9.114 -1.771 3.655 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 5 +ATOM 7224 O O . ASP A 1 52 ? 8.882 -1.179 2.593 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 5 +ATOM 7225 C CB . ASP A 1 52 ? 11.535 -1.149 3.331 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 5 +ATOM 7226 C CG . ASP A 1 52 ? 12.824 -0.843 4.050 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 5 +ATOM 7227 O OD1 . ASP A 1 52 ? 12.794 -0.158 5.108 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 5 +ATOM 7228 O OD2 . ASP A 1 52 ? 13.900 -1.295 3.604 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 5 +ATOM 7229 H H . ASP A 1 52 ? 11.231 -3.311 5.575 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 5 +ATOM 7230 H HA . ASP A 1 52 ? 10.445 -1.248 5.159 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 5 +ATOM 7231 H HB2 . ASP A 1 52 ? 11.755 -1.803 2.500 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 5 +ATOM 7232 H HB3 . ASP A 1 52 ? 11.122 -0.225 2.953 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 5 +ATOM 7233 N N . CYS A 1 53 ? 8.189 -2.397 4.332 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 5 +ATOM 7234 C CA . CYS A 1 53 ? 6.834 -2.347 3.899 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 5 +ATOM 7235 C C . CYS A 1 53 ? 6.092 -1.440 4.846 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 5 +ATOM 7236 O O . CYS A 1 53 ? 6.336 -1.470 6.058 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 5 +ATOM 7237 C CB . CYS A 1 53 ? 6.231 -3.744 3.882 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 5 +ATOM 7238 S SG . CYS A 1 53 ? 7.163 -4.933 2.881 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 5 +ATOM 7239 H H . CYS A 1 53 ? 8.412 -2.876 5.158 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 5 +ATOM 7240 H HA . CYS A 1 53 ? 6.811 -1.923 2.908 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 5 +ATOM 7241 H HB2 . CYS A 1 53 ? 6.199 -4.118 4.892 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 5 +ATOM 7242 H HB3 . CYS A 1 53 ? 5.227 -3.693 3.488 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 5 +ATOM 7243 H HG . CYS A 1 53 ? 8.374 -4.426 2.678 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 5 +ATOM 7244 N N . TYR A 1 54 ? 5.208 -0.663 4.319 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 5 +ATOM 7245 C CA . TYR A 1 54 ? 4.501 0.324 5.075 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 5 +ATOM 7246 C C . TYR A 1 54 ? 3.034 0.164 4.835 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 5 +ATOM 7247 O O . TYR A 1 54 ? 2.622 -0.350 3.787 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 5 +ATOM 7248 C CB . TYR A 1 54 ? 4.957 1.750 4.688 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 5 +ATOM 7249 C CG . TYR A 1 54 ? 6.431 2.071 4.951 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 5 +ATOM 7250 C CD1 . TYR A 1 54 ? 7.438 1.556 4.144 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 5 +ATOM 7251 C CD2 . TYR A 1 54 ? 6.806 2.887 6.004 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 5 +ATOM 7252 C CE1 . TYR A 1 54 ? 8.767 1.843 4.381 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 5 +ATOM 7253 C CE2 . TYR A 1 54 ? 8.137 3.176 6.243 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 5 +ATOM 7254 C CZ . TYR A 1 54 ? 9.109 2.652 5.430 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 5 +ATOM 7255 O OH . TYR A 1 54 ? 10.434 2.934 5.678 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 5 +ATOM 7256 H H . TYR A 1 54 ? 4.978 -0.752 3.367 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 5 +ATOM 7257 H HA . TYR A 1 54 ? 4.690 0.165 6.122 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 5 +ATOM 7258 H HB2 . TYR A 1 54 ? 4.783 1.886 3.632 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 5 +ATOM 7259 H HB3 . TYR A 1 54 ? 4.356 2.461 5.234 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 5 +ATOM 7260 H HD1 . TYR A 1 54 ? 7.167 0.916 3.318 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 5 +ATOM 7261 H HD2 . TYR A 1 54 ? 6.047 3.300 6.651 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 5 +ATOM 7262 H HE1 . TYR A 1 54 ? 9.532 1.430 3.739 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 5 +ATOM 7263 H HE2 . TYR A 1 54 ? 8.408 3.814 7.072 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 5 +ATOM 7264 H HH . TYR A 1 54 ? 10.862 3.104 4.826 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 5 +ATOM 7265 N N . LYS A 1 55 ? 2.248 0.569 5.784 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 5 +ATOM 7266 C CA . LYS A 1 55 ? 0.837 0.455 5.660 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 5 +ATOM 7267 C C . LYS A 1 55 ? 0.174 1.727 6.117 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 5 +ATOM 7268 O O . LYS A 1 55 ? 0.589 2.346 7.102 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 5 +ATOM 7269 C CB . LYS A 1 55 ? 0.277 -0.782 6.435 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 5 +ATOM 7270 C CG . LYS A 1 55 ? 0.167 -0.693 7.987 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 5 +ATOM 7271 C CD . LYS A 1 55 ? 1.492 -0.409 8.698 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 5 +ATOM 7272 C CE . LYS A 1 55 ? 1.355 -0.585 10.206 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 5 +ATOM 7273 N NZ . LYS A 1 55 ? 2.583 -0.194 10.951 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 5 +ATOM 7274 H H . LYS A 1 55 ? 2.628 0.985 6.591 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 5 +ATOM 7275 H HA . LYS A 1 55 ? 0.621 0.321 4.609 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 5 +ATOM 7276 H HB2 . LYS A 1 55 ? -0.715 -0.988 6.062 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 5 +ATOM 7277 H HB3 . LYS A 1 55 ? 0.906 -1.626 6.192 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 5 +ATOM 7278 H HG2 . LYS A 1 55 ? -0.519 0.103 8.234 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 5 +ATOM 7279 H HG3 . LYS A 1 55 ? -0.238 -1.625 8.351 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 5 +ATOM 7280 H HD2 . LYS A 1 55 ? 2.253 -1.075 8.321 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 5 +ATOM 7281 H HD3 . LYS A 1 55 ? 1.785 0.610 8.489 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 5 +ATOM 7282 H HE2 . LYS A 1 55 ? 0.523 0.011 10.543 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 5 +ATOM 7283 H HE3 . LYS A 1 55 ? 1.143 -1.624 10.404 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 5 +ATOM 7284 H HZ1 . LYS A 1 55 ? 2.776 0.819 10.834 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 5 +ATOM 7285 H HZ2 . LYS A 1 55 ? 3.428 -0.731 10.667 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 5 +ATOM 7286 H HZ3 . LYS A 1 55 ? 2.454 -0.365 11.970 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 5 +ATOM 7287 N N . ILE A 1 56 ? -0.821 2.118 5.409 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 5 +ATOM 7288 C CA . ILE A 1 56 ? -1.603 3.256 5.776 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 5 +ATOM 7289 C C . ILE A 1 56 ? -2.940 2.735 6.195 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 5 +ATOM 7290 O O . ILE A 1 56 ? -3.522 1.898 5.501 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 5 +ATOM 7291 C CB . ILE A 1 56 ? -1.780 4.267 4.603 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 5 +ATOM 7292 C CG1 . ILE A 1 56 ? -0.408 4.750 4.105 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 5 +ATOM 7293 C CG2 . ILE A 1 56 ? -2.638 5.461 5.043 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 5 +ATOM 7294 C CD1 . ILE A 1 56 ? -0.475 5.710 2.934 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 5 +ATOM 7295 H H . ILE A 1 56 ? -1.054 1.601 4.604 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 5 +ATOM 7296 H HA . ILE A 1 56 ? -1.127 3.746 6.614 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 5 +ATOM 7297 H HB . ILE A 1 56 ? -2.289 3.760 3.797 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 5 +ATOM 7298 H HG12 . ILE A 1 56 ? 0.096 5.257 4.914 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 5 +ATOM 7299 H HG13 . ILE A 1 56 ? 0.178 3.894 3.806 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 5 +ATOM 7300 H HG21 . ILE A 1 56 ? -2.160 5.960 5.874 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 5 +ATOM 7301 H HG22 . ILE A 1 56 ? -3.622 5.128 5.343 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 5 +ATOM 7302 H HG23 . ILE A 1 56 ? -2.737 6.158 4.224 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 5 +ATOM 7303 H HD11 . ILE A 1 56 ? 0.526 5.965 2.620 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 5 +ATOM 7304 H HD12 . ILE A 1 56 ? -0.987 6.609 3.246 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 5 +ATOM 7305 H HD13 . ILE A 1 56 ? -1.011 5.253 2.116 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 5 +ATOM 7306 N N . LYS A 1 57 ? -3.413 3.173 7.317 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 5 +ATOM 7307 C CA . LYS A 1 57 ? -4.679 2.716 7.791 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 5 +ATOM 7308 C C . LYS A 1 57 ? -5.668 3.810 7.519 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 5 +ATOM 7309 O O . LYS A 1 57 ? -5.330 5.000 7.627 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 5 +ATOM 7310 C CB . LYS A 1 57 ? -4.638 2.297 9.299 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 5 +ATOM 7311 C CG . LYS A 1 57 ? -4.667 3.421 10.370 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 5 +ATOM 7312 C CD . LYS A 1 57 ? -3.538 4.447 10.256 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 5 +ATOM 7313 C CE . LYS A 1 57 ? -2.159 3.829 10.357 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 5 +ATOM 7314 N NZ . LYS A 1 57 ? -1.095 4.857 10.292 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 5 +ATOM 7315 H H . LYS A 1 57 ? -2.932 3.869 7.806 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 5 +ATOM 7316 H HA . LYS A 1 57 ? -4.950 1.864 7.184 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 5 +ATOM 7317 H HB2 . LYS A 1 57 ? -5.485 1.655 9.487 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 5 +ATOM 7318 H HB3 . LYS A 1 57 ? -3.744 1.711 9.451 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 5 +ATOM 7319 H HG2 . LYS A 1 57 ? -5.604 3.951 10.283 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 5 +ATOM 7320 H HG3 . LYS A 1 57 ? -4.624 2.957 11.345 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 5 +ATOM 7321 H HD2 . LYS A 1 57 ? -3.627 4.939 9.300 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 5 +ATOM 7322 H HD3 . LYS A 1 57 ? -3.662 5.173 11.046 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 5 +ATOM 7323 H HE2 . LYS A 1 57 ? -2.081 3.280 11.284 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 5 +ATOM 7324 H HE3 . LYS A 1 57 ? -2.050 3.156 9.519 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 5 +ATOM 7325 H HZ1 . LYS A 1 57 ? -1.159 5.521 11.088 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 5 +ATOM 7326 H HZ2 . LYS A 1 57 ? -1.166 5.419 9.421 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 5 +ATOM 7327 H HZ3 . LYS A 1 57 ? -0.145 4.431 10.300 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 5 +ATOM 7328 N N . LEU A 1 58 ? -6.834 3.451 7.123 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 5 +ATOM 7329 C CA . LEU A 1 58 ? -7.798 4.428 6.759 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 5 +ATOM 7330 C C . LEU A 1 58 ? -8.657 4.691 7.977 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 5 +ATOM 7331 O O . LEU A 1 58 ? -9.379 3.809 8.428 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 5 +ATOM 7332 C CB . LEU A 1 58 ? -8.663 3.903 5.599 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 5 +ATOM 7333 C CG . LEU A 1 58 ? -9.266 4.934 4.615 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 5 +ATOM 7334 C CD1 . LEU A 1 58 ? -10.237 4.258 3.679 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 5 +ATOM 7335 C CD2 . LEU A 1 58 ? -9.928 6.097 5.317 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 5 +ATOM 7336 H H . LEU A 1 58 ? -7.082 2.499 7.085 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 5 +ATOM 7337 H HA . LEU A 1 58 ? -7.271 5.319 6.453 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 5 +ATOM 7338 H HB2 . LEU A 1 58 ? -8.063 3.214 5.026 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 5 +ATOM 7339 H HB3 . LEU A 1 58 ? -9.479 3.347 6.037 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 5 +ATOM 7340 H HG . LEU A 1 58 ? -8.464 5.313 3.998 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 5 +ATOM 7341 H HD11 . LEU A 1 58 ? -11.014 3.783 4.259 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 5 +ATOM 7342 H HD12 . LEU A 1 58 ? -9.721 3.517 3.087 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 5 +ATOM 7343 H HD13 . LEU A 1 58 ? -10.684 4.995 3.030 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 5 +ATOM 7344 H HD21 . LEU A 1 58 ? -9.193 6.633 5.899 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 5 +ATOM 7345 H HD22 . LEU A 1 58 ? -10.688 5.710 5.980 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 5 +ATOM 7346 H HD23 . LEU A 1 58 ? -10.376 6.757 4.589 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 5 +ATOM 7347 N N . ARG A 1 59 ? -8.563 5.870 8.527 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 5 +ATOM 7348 C CA . ARG A 1 59 ? -9.362 6.211 9.678 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 5 +ATOM 7349 C C . ARG A 1 59 ? -10.785 6.555 9.242 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 5 +ATOM 7350 O O . ARG A 1 59 ? -11.118 7.725 9.003 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 5 +ATOM 7351 C CB . ARG A 1 59 ? -8.739 7.357 10.477 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 5 +ATOM 7352 C CG . ARG A 1 59 ? -7.371 7.060 11.079 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 5 +ATOM 7353 C CD . ARG A 1 59 ? -7.425 5.923 12.083 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 5 +ATOM 7354 N NE . ARG A 1 59 ? -6.121 5.700 12.731 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 5 +ATOM 7355 C CZ . ARG A 1 59 ? -5.870 4.751 13.646 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 5 +ATOM 7356 N NH1 . ARG A 1 59 ? -6.831 3.938 14.042 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 5 +ATOM 7357 N NH2 . ARG A 1 59 ? -4.656 4.619 14.151 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 5 +ATOM 7358 H H . ARG A 1 59 ? -7.944 6.531 8.143 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 5 +ATOM 7359 H HA . ARG A 1 59 ? -9.414 5.330 10.300 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 5 +ATOM 7360 H HB2 . ARG A 1 59 ? -8.628 8.205 9.819 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 5 +ATOM 7361 H HB3 . ARG A 1 59 ? -9.412 7.621 11.278 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 5 +ATOM 7362 H HG2 . ARG A 1 59 ? -6.695 6.781 10.283 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 5 +ATOM 7363 H HG3 . ARG A 1 59 ? -7.001 7.947 11.570 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 5 +ATOM 7364 H HD2 . ARG A 1 59 ? -8.162 6.149 12.840 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 5 +ATOM 7365 H HD3 . ARG A 1 59 ? -7.709 5.019 11.564 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 5 +ATOM 7366 H HE . ARG A 1 59 ? -5.405 6.308 12.437 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 5 +ATOM 7367 H HH11 . ARG A 1 59 ? -7.764 3.993 13.681 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 5 +ATOM 7368 H HH12 . ARG A 1 59 ? -6.671 3.217 14.726 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 5 +ATOM 7369 H HH21 . ARG A 1 59 ? -3.884 5.204 13.892 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 5 +ATOM 7370 H HH22 . ARG A 1 59 ? -4.458 3.888 14.814 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 5 +ATOM 7371 N N . SER A 1 60 ? -11.573 5.513 9.041 1.00 0.00 ? ? ? ? ? ? 57 SER A N 5 +ATOM 7372 C CA . SER A 1 60 ? -12.974 5.585 8.622 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 5 +ATOM 7373 C C . SER A 1 60 ? -13.632 4.229 8.844 1.00 0.00 ? ? ? ? ? ? 57 SER A C 5 +ATOM 7374 O O . SER A 1 60 ? -14.782 4.143 9.272 1.00 0.00 ? ? ? ? ? ? 57 SER A O 5 +ATOM 7375 C CB . SER A 1 60 ? -13.115 5.962 7.134 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 5 +ATOM 7376 O OG . SER A 1 60 ? -12.535 7.225 6.860 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 5 +ATOM 7377 H H . SER A 1 60 ? -11.180 4.629 9.214 1.00 0.00 ? ? ? ? ? ? 57 SER A H 5 +ATOM 7378 H HA . SER A 1 60 ? -13.463 6.329 9.233 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 5 +ATOM 7379 H HB2 . SER A 1 60 ? -12.638 5.212 6.522 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 5 +ATOM 7380 H HB3 . SER A 1 60 ? -14.165 6.004 6.886 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 5 +ATOM 7381 H HG . SER A 1 60 ? -12.109 7.504 7.684 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 5 +ATOM 7382 N N . SER A 1 61 ? -12.876 3.186 8.576 1.00 0.00 ? ? ? ? ? ? 58 SER A N 5 +ATOM 7383 C CA . SER A 1 61 ? -13.316 1.832 8.703 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 5 +ATOM 7384 C C . SER A 1 61 ? -12.047 0.989 8.766 1.00 0.00 ? ? ? ? ? ? 58 SER A C 5 +ATOM 7385 O O . SER A 1 61 ? -10.952 1.544 8.649 1.00 0.00 ? ? ? ? ? ? 58 SER A O 5 +ATOM 7386 C CB . SER A 1 61 ? -14.197 1.453 7.489 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 5 +ATOM 7387 O OG . SER A 1 61 ? -14.778 0.162 7.622 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 5 +ATOM 7388 H H . SER A 1 61 ? -11.941 3.283 8.296 1.00 0.00 ? ? ? ? ? ? 58 SER A H 5 +ATOM 7389 H HA . SER A 1 61 ? -13.873 1.731 9.622 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 5 +ATOM 7390 H HB2 . SER A 1 61 ? -14.987 2.182 7.388 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 5 +ATOM 7391 H HB3 . SER A 1 61 ? -13.594 1.478 6.594 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 5 +ATOM 7392 H HG . SER A 1 61 ? -15.666 0.292 7.980 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 5 +ATOM 7393 N N . GLY A 1 62 ? -12.167 -0.306 8.901 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 5 +ATOM 7394 C CA . GLY A 1 62 ? -10.999 -1.156 9.055 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 5 +ATOM 7395 C C . GLY A 1 62 ? -10.285 -1.477 7.761 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 5 +ATOM 7396 O O . GLY A 1 62 ? -10.013 -2.638 7.467 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 5 +ATOM 7397 H H . GLY A 1 62 ? -13.070 -0.695 8.896 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 5 +ATOM 7398 H HA2 . GLY A 1 62 ? -10.294 -0.643 9.690 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 5 +ATOM 7399 H HA3 . GLY A 1 62 ? -11.292 -2.080 9.528 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 5 +ATOM 7400 N N . TYR A 1 63 ? -9.964 -0.467 7.001 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 5 +ATOM 7401 C CA . TYR A 1 63 ? -9.244 -0.655 5.775 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 5 +ATOM 7402 C C . TYR A 1 63 ? -7.833 -0.157 5.933 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 5 +ATOM 7403 O O . TYR A 1 63 ? -7.578 0.800 6.663 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 5 +ATOM 7404 C CB . TYR A 1 63 ? -9.925 0.039 4.599 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 5 +ATOM 7405 C CG . TYR A 1 63 ? -11.275 -0.537 4.231 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 5 +ATOM 7406 C CD1 . TYR A 1 63 ? -11.376 -1.712 3.499 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 5 +ATOM 7407 C CD2 . TYR A 1 63 ? -12.444 0.101 4.601 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 5 +ATOM 7408 C CE1 . TYR A 1 63 ? -12.608 -2.232 3.147 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 5 +ATOM 7409 C CE2 . TYR A 1 63 ? -13.680 -0.407 4.250 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 5 +ATOM 7410 C CZ . TYR A 1 63 ? -13.755 -1.576 3.524 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 5 +ATOM 7411 O OH . TYR A 1 63 ? -14.986 -2.076 3.154 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 5 +ATOM 7412 H H . TYR A 1 63 ? -10.197 0.441 7.302 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 5 +ATOM 7413 H HA . TYR A 1 63 ? -9.212 -1.718 5.585 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 5 +ATOM 7414 H HB2 . TYR A 1 63 ? -10.065 1.081 4.842 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 5 +ATOM 7415 H HB3 . TYR A 1 63 ? -9.283 -0.034 3.733 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 5 +ATOM 7416 H HD1 . TYR A 1 63 ? -10.472 -2.226 3.204 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 5 +ATOM 7417 H HD2 . TYR A 1 63 ? -12.368 1.018 5.165 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 5 +ATOM 7418 H HE1 . TYR A 1 63 ? -12.668 -3.147 2.577 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 5 +ATOM 7419 H HE2 . TYR A 1 63 ? -14.581 0.108 4.549 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 5 +ATOM 7420 H HH . TYR A 1 63 ? -15.005 -3.035 3.272 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 5 +ATOM 7421 N N . ARG A 1 64 ? -6.927 -0.853 5.333 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 5 +ATOM 7422 C CA . ARG A 1 64 ? -5.532 -0.515 5.335 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 5 +ATOM 7423 C C . ARG A 1 64 ? -4.930 -0.888 4.003 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 5 +ATOM 7424 O O . ARG A 1 64 ? -5.413 -1.805 3.325 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 5 +ATOM 7425 C CB . ARG A 1 64 ? -4.736 -1.167 6.506 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 5 +ATOM 7426 C CG . ARG A 1 64 ? -5.012 -2.649 6.737 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 5 +ATOM 7427 C CD . ARG A 1 64 ? -6.241 -2.849 7.623 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 5 +ATOM 7428 N NE . ARG A 1 64 ? -5.961 -2.538 9.039 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 5 +ATOM 7429 C CZ . ARG A 1 64 ? -6.531 -1.569 9.780 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 5 +ATOM 7430 N NH1 . ARG A 1 64 ? -7.298 -0.639 9.221 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 5 +ATOM 7431 N NH2 . ARG A 1 64 ? -6.275 -1.511 11.080 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 5 +ATOM 7432 H H . ARG A 1 64 ? -7.183 -1.652 4.816 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 5 +ATOM 7433 H HA . ARG A 1 64 ? -5.482 0.560 5.431 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 5 +ATOM 7434 H HB2 . ARG A 1 64 ? -3.681 -1.053 6.308 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 5 +ATOM 7435 H HB3 . ARG A 1 64 ? -4.971 -0.633 7.416 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 5 +ATOM 7436 H HG2 . ARG A 1 64 ? -5.182 -3.126 5.784 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 5 +ATOM 7437 H HG3 . ARG A 1 64 ? -4.154 -3.096 7.220 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 5 +ATOM 7438 H HD2 . ARG A 1 64 ? -7.027 -2.196 7.269 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 5 +ATOM 7439 H HD3 . ARG A 1 64 ? -6.569 -3.874 7.540 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 5 +ATOM 7440 H HE . ARG A 1 64 ? -5.323 -3.146 9.482 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 5 +ATOM 7441 H HH11 . ARG A 1 64 ? -7.494 -0.594 8.240 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 5 +ATOM 7442 H HH12 . ARG A 1 64 ? -7.725 0.086 9.773 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 5 +ATOM 7443 H HH21 . ARG A 1 64 ? -5.663 -2.173 11.524 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 5 +ATOM 7444 H HH22 . ARG A 1 64 ? -6.688 -0.820 11.680 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 5 +ATOM 7445 N N . LEU A 1 65 ? -3.928 -0.181 3.618 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 5 +ATOM 7446 C CA . LEU A 1 65 ? -3.259 -0.429 2.378 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 5 +ATOM 7447 C C . LEU A 1 65 ? -1.793 -0.690 2.675 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 5 +ATOM 7448 O O . LEU A 1 65 ? -1.155 0.097 3.375 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 5 +ATOM 7449 C CB . LEU A 1 65 ? -3.492 0.771 1.426 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 5 +ATOM 7450 C CG . LEU A 1 65 ? -2.948 0.675 -0.010 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 5 +ATOM 7451 C CD1 . LEU A 1 65 ? -3.669 1.666 -0.896 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 5 +ATOM 7452 C CD2 . LEU A 1 65 ? -1.472 0.983 -0.045 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 5 +ATOM 7453 H H . LEU A 1 65 ? -3.606 0.551 4.192 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 5 +ATOM 7454 H HA . LEU A 1 65 ? -3.689 -1.320 1.947 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 5 +ATOM 7455 H HB2 . LEU A 1 65 ? -4.558 0.927 1.357 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 5 +ATOM 7456 H HB3 . LEU A 1 65 ? -3.059 1.643 1.892 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 5 +ATOM 7457 H HG . LEU A 1 65 ? -3.104 -0.321 -0.398 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 5 +ATOM 7458 H HD11 . LEU A 1 65 ? -3.262 1.604 -1.895 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 5 +ATOM 7459 H HD12 . LEU A 1 65 ? -3.546 2.664 -0.504 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 5 +ATOM 7460 H HD13 . LEU A 1 65 ? -4.719 1.416 -0.925 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 5 +ATOM 7461 H HD21 . LEU A 1 65 ? -0.937 0.257 0.550 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 5 +ATOM 7462 H HD22 . LEU A 1 65 ? -1.318 1.968 0.369 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 5 +ATOM 7463 H HD23 . LEU A 1 65 ? -1.121 0.954 -1.065 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 5 +ATOM 7464 N N . VAL A 1 66 ? -1.281 -1.790 2.162 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 5 +ATOM 7465 C CA . VAL A 1 66 ? 0.079 -2.218 2.427 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 5 +ATOM 7466 C C . VAL A 1 66 ? 0.914 -2.142 1.153 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 5 +ATOM 7467 O O . VAL A 1 66 ? 0.562 -2.736 0.112 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 5 +ATOM 7468 C CB . VAL A 1 66 ? 0.110 -3.670 2.992 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 5 +ATOM 7469 C CG1 . VAL A 1 66 ? 1.534 -4.128 3.284 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 5 +ATOM 7470 C CG2 . VAL A 1 66 ? -0.742 -3.773 4.247 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 5 +ATOM 7471 H H . VAL A 1 66 ? -1.814 -2.340 1.545 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 5 +ATOM 7472 H HA . VAL A 1 66 ? 0.503 -1.552 3.165 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 5 +ATOM 7473 H HB . VAL A 1 66 ? -0.309 -4.330 2.246 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 5 +ATOM 7474 H HG11 . VAL A 1 66 ? 2.107 -4.138 2.369 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 5 +ATOM 7475 H HG12 . VAL A 1 66 ? 1.515 -5.117 3.719 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 5 +ATOM 7476 H HG13 . VAL A 1 66 ? 1.990 -3.445 3.985 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 5 +ATOM 7477 H HG21 . VAL A 1 66 ? -0.360 -3.093 4.994 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 5 +ATOM 7478 H HG22 . VAL A 1 66 ? -0.701 -4.783 4.628 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 5 +ATOM 7479 H HG23 . VAL A 1 66 ? -1.765 -3.516 4.018 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 5 +ATOM 7480 N N . TYR A 1 67 ? 1.998 -1.432 1.230 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 5 +ATOM 7481 C CA . TYR A 1 67 ? 2.872 -1.251 0.111 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 5 +ATOM 7482 C C . TYR A 1 67 ? 4.313 -1.392 0.542 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 5 +ATOM 7483 O O . TYR A 1 67 ? 4.620 -1.273 1.719 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 5 +ATOM 7484 C CB . TYR A 1 67 ? 2.630 0.118 -0.568 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 5 +ATOM 7485 C CG . TYR A 1 67 ? 2.778 1.354 0.311 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 5 +ATOM 7486 C CD1 . TYR A 1 67 ? 4.006 1.750 0.828 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 5 +ATOM 7487 C CD2 . TYR A 1 67 ? 1.681 2.133 0.592 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 5 +ATOM 7488 C CE1 . TYR A 1 67 ? 4.119 2.879 1.598 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 5 +ATOM 7489 C CE2 . TYR A 1 67 ? 1.783 3.262 1.357 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 5 +ATOM 7490 C CZ . TYR A 1 67 ? 3.008 3.633 1.860 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 5 +ATOM 7491 O OH . TYR A 1 67 ? 3.120 4.759 2.628 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 5 +ATOM 7492 H H . TYR A 1 67 ? 2.246 -1.018 2.090 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 5 +ATOM 7493 H HA . TYR A 1 67 ? 2.655 -2.029 -0.604 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 5 +ATOM 7494 H HB2 . TYR A 1 67 ? 3.303 0.237 -1.401 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 5 +ATOM 7495 H HB3 . TYR A 1 67 ? 1.620 0.122 -0.950 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 5 +ATOM 7496 H HD1 . TYR A 1 67 ? 4.881 1.152 0.618 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 5 +ATOM 7497 H HD2 . TYR A 1 67 ? 0.721 1.837 0.197 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 5 +ATOM 7498 H HE1 . TYR A 1 67 ? 5.081 3.172 1.989 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 5 +ATOM 7499 H HE2 . TYR A 1 67 ? 0.897 3.849 1.545 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 5 +ATOM 7500 H HH . TYR A 1 67 ? 2.418 4.761 3.285 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 5 +ATOM 7501 N N . GLN A 1 68 ? 5.177 -1.673 -0.378 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 5 +ATOM 7502 C CA . GLN A 1 68 ? 6.580 -1.719 -0.084 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 5 +ATOM 7503 C C . GLN A 1 68 ? 7.257 -0.530 -0.724 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 5 +ATOM 7504 O O . GLN A 1 68 ? 6.921 -0.142 -1.855 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 5 +ATOM 7505 C CB . GLN A 1 68 ? 7.238 -3.042 -0.514 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 5 +ATOM 7506 C CG . GLN A 1 68 ? 7.153 -3.366 -2.005 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 5 +ATOM 7507 C CD . GLN A 1 68 ? 7.877 -4.660 -2.377 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 5 +ATOM 7508 O OE1 . GLN A 1 68 ? 7.481 -5.365 -3.310 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 5 +ATOM 7509 N NE2 . GLN A 1 68 ? 8.957 -4.964 -1.693 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 5 +ATOM 7510 H H . GLN A 1 68 ? 4.870 -1.828 -1.301 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 5 +ATOM 7511 H HA . GLN A 1 68 ? 6.672 -1.605 0.985 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 5 +ATOM 7512 H HB2 . GLN A 1 68 ? 8.280 -2.998 -0.242 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 5 +ATOM 7513 H HB3 . GLN A 1 68 ? 6.769 -3.845 0.035 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 5 +ATOM 7514 H HG2 . GLN A 1 68 ? 6.113 -3.459 -2.282 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 5 +ATOM 7515 H HG3 . GLN A 1 68 ? 7.598 -2.549 -2.556 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 5 +ATOM 7516 H HE21 . GLN A 1 68 ? 9.256 -4.355 -0.982 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 5 +ATOM 7517 H HE22 . GLN A 1 68 ? 9.432 -5.791 -1.915 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 5 +ATOM 7518 N N . VAL A 1 69 ? 8.153 0.076 -0.010 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 5 +ATOM 7519 C CA . VAL A 1 69 ? 8.868 1.212 -0.522 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 5 +ATOM 7520 C C . VAL A 1 69 ? 10.204 0.763 -1.047 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 5 +ATOM 7521 O O . VAL A 1 69 ? 11.048 0.263 -0.299 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 5 +ATOM 7522 C CB . VAL A 1 69 ? 9.050 2.335 0.545 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 5 +ATOM 7523 C CG1 . VAL A 1 69 ? 9.919 3.476 0.012 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 5 +ATOM 7524 C CG2 . VAL A 1 69 ? 7.699 2.881 0.963 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 5 +ATOM 7525 H H . VAL A 1 69 ? 8.380 -0.257 0.887 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 5 +ATOM 7526 H HA . VAL A 1 69 ? 8.296 1.607 -1.350 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 5 +ATOM 7527 H HB . VAL A 1 69 ? 9.530 1.913 1.415 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 5 +ATOM 7528 H HG11 . VAL A 1 69 ? 10.889 3.087 -0.258 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 5 +ATOM 7529 H HG12 . VAL A 1 69 ? 10.038 4.224 0.781 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 5 +ATOM 7530 H HG13 . VAL A 1 69 ? 9.450 3.916 -0.854 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 5 +ATOM 7531 H HG21 . VAL A 1 69 ? 7.195 3.301 0.105 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 5 +ATOM 7532 H HG22 . VAL A 1 69 ? 7.835 3.648 1.713 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 5 +ATOM 7533 H HG23 . VAL A 1 69 ? 7.101 2.081 1.372 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 5 +ATOM 7534 N N . ILE A 1 70 ? 10.382 0.895 -2.325 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 5 +ATOM 7535 C CA . ILE A 1 70 ? 11.615 0.545 -2.931 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 5 +ATOM 7536 C C . ILE A 1 70 ? 12.392 1.825 -3.117 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 5 +ATOM 7537 O O . ILE A 1 70 ? 12.181 2.563 -4.088 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 5 +ATOM 7538 C CB . ILE A 1 70 ? 11.420 -0.154 -4.304 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 5 +ATOM 7539 C CG1 . ILE A 1 70 ? 10.439 -1.336 -4.172 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 5 +ATOM 7540 C CG2 . ILE A 1 70 ? 12.770 -0.644 -4.831 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 5 +ATOM 7541 C CD1 . ILE A 1 70 ? 10.107 -2.020 -5.488 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 5 +ATOM 7542 H H . ILE A 1 70 ? 9.666 1.277 -2.886 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 5 +ATOM 7543 H HA . ILE A 1 70 ? 12.151 -0.111 -2.261 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 5 +ATOM 7544 H HB . ILE A 1 70 ? 11.018 0.567 -4.999 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 5 +ATOM 7545 H HG12 . ILE A 1 70 ? 10.868 -2.079 -3.516 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 5 +ATOM 7546 H HG13 . ILE A 1 70 ? 9.515 -0.977 -3.739 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 5 +ATOM 7547 H HG21 . ILE A 1 70 ? 13.431 0.199 -4.968 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 5 +ATOM 7548 H HG22 . ILE A 1 70 ? 12.630 -1.149 -5.776 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 5 +ATOM 7549 H HG23 . ILE A 1 70 ? 13.202 -1.329 -4.117 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 5 +ATOM 7550 H HD11 . ILE A 1 70 ? 11.011 -2.418 -5.924 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 5 +ATOM 7551 H HD12 . ILE A 1 70 ? 9.668 -1.301 -6.164 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 5 +ATOM 7552 H HD13 . ILE A 1 70 ? 9.406 -2.822 -5.311 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 5 +ATOM 7553 N N . ASP A 1 71 ? 13.249 2.103 -2.173 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 5 +ATOM 7554 C CA . ASP A 1 71 ? 14.049 3.323 -2.158 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 5 +ATOM 7555 C C . ASP A 1 71 ? 15.021 3.341 -3.320 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 5 +ATOM 7556 O O . ASP A 1 71 ? 15.238 4.382 -3.943 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 5 +ATOM 7557 C CB . ASP A 1 71 ? 14.827 3.426 -0.844 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 5 +ATOM 7558 C CG . ASP A 1 71 ? 15.660 4.685 -0.754 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 5 +ATOM 7559 O OD1 . ASP A 1 71 ? 16.788 4.724 -1.309 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 5 +ATOM 7560 O OD2 . ASP A 1 71 ? 15.221 5.653 -0.118 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 5 +ATOM 7561 H H . ASP A 1 71 ? 13.352 1.451 -1.446 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 5 +ATOM 7562 H HA . ASP A 1 71 ? 13.382 4.168 -2.234 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 5 +ATOM 7563 H HB2 . ASP A 1 71 ? 14.131 3.417 -0.018 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 5 +ATOM 7564 H HB3 . ASP A 1 71 ? 15.484 2.574 -0.756 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 5 +ATOM 7565 N N . GLU A 1 72 ? 15.549 2.169 -3.646 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 5 +ATOM 7566 C CA . GLU A 1 72 ? 16.521 2.012 -4.733 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 5 +ATOM 7567 C C . GLU A 1 72 ? 15.936 2.434 -6.082 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 5 +ATOM 7568 O O . GLU A 1 72 ? 16.659 2.864 -6.974 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 5 +ATOM 7569 C CB . GLU A 1 72 ? 16.977 0.571 -4.846 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 5 +ATOM 7570 C CG . GLU A 1 72 ? 17.700 0.002 -3.642 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 5 +ATOM 7571 C CD . GLU A 1 72 ? 18.053 -1.451 -3.858 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 5 +ATOM 7572 O OE1 . GLU A 1 72 ? 17.127 -2.282 -3.986 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 5 +ATOM 7573 O OE2 . GLU A 1 72 ? 19.244 -1.786 -3.964 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 5 +ATOM 7574 H H . GLU A 1 72 ? 15.290 1.383 -3.115 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 5 +ATOM 7575 H HA . GLU A 1 72 ? 17.380 2.628 -4.516 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 5 +ATOM 7576 H HB2 . GLU A 1 72 ? 16.106 -0.043 -5.025 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 5 +ATOM 7577 H HB3 . GLU A 1 72 ? 17.632 0.504 -5.700 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 5 +ATOM 7578 H HG2 . GLU A 1 72 ? 18.612 0.558 -3.485 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 5 +ATOM 7579 H HG3 . GLU A 1 72 ? 17.070 0.084 -2.772 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 5 +ATOM 7580 N N . LYS A 1 73 ? 14.638 2.272 -6.234 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 5 +ATOM 7581 C CA . LYS A 1 73 ? 13.965 2.615 -7.476 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 5 +ATOM 7582 C C . LYS A 1 73 ? 13.105 3.870 -7.323 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 5 +ATOM 7583 O O . LYS A 1 73 ? 12.538 4.358 -8.299 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 5 +ATOM 7584 C CB . LYS A 1 73 ? 13.125 1.438 -7.977 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 5 +ATOM 7585 C CG . LYS A 1 73 ? 13.936 0.212 -8.376 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 5 +ATOM 7586 C CD . LYS A 1 73 ? 13.029 -0.919 -8.837 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 5 +ATOM 7587 C CE . LYS A 1 73 ? 13.828 -2.123 -9.317 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 5 +ATOM 7588 N NZ . LYS A 1 73 ? 14.600 -1.843 -10.551 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 5 +ATOM 7589 H H . LYS A 1 73 ? 14.116 1.922 -5.483 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 5 +ATOM 7590 H HA . LYS A 1 73 ? 14.733 2.822 -8.206 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 5 +ATOM 7591 H HB2 . LYS A 1 73 ? 12.462 1.136 -7.181 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 5 +ATOM 7592 H HB3 . LYS A 1 73 ? 12.540 1.755 -8.827 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 5 +ATOM 7593 H HG2 . LYS A 1 73 ? 14.618 0.471 -9.172 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 5 +ATOM 7594 H HG3 . LYS A 1 73 ? 14.498 -0.120 -7.515 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 5 +ATOM 7595 H HD2 . LYS A 1 73 ? 12.398 -1.225 -8.015 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 5 +ATOM 7596 H HD3 . LYS A 1 73 ? 12.410 -0.561 -9.647 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 5 +ATOM 7597 H HE2 . LYS A 1 73 ? 14.512 -2.420 -8.538 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 5 +ATOM 7598 H HE3 . LYS A 1 73 ? 13.139 -2.932 -9.511 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 5 +ATOM 7599 H HZ1 . LYS A 1 73 ? 13.973 -1.603 -11.344 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 5 +ATOM 7600 H HZ2 . LYS A 1 73 ? 15.127 -2.701 -10.819 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 5 +ATOM 7601 H HZ3 . LYS A 1 73 ? 15.293 -1.079 -10.418 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 5 +ATOM 7602 N N . VAL A 1 74 ? 13.015 4.378 -6.085 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 5 +ATOM 7603 C CA . VAL A 1 74 ? 12.214 5.575 -5.746 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 5 +ATOM 7604 C C . VAL A 1 74 ? 10.710 5.312 -6.080 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 5 +ATOM 7605 O O . VAL A 1 74 ? 9.962 6.188 -6.514 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 5 +ATOM 7606 C CB . VAL A 1 74 ? 12.776 6.862 -6.481 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 5 +ATOM 7607 C CG1 . VAL A 1 74 ? 12.082 8.147 -6.030 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 5 +ATOM 7608 C CG2 . VAL A 1 74 ? 14.269 6.990 -6.247 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 5 +ATOM 7609 H H . VAL A 1 74 ? 13.515 3.933 -5.368 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 5 +ATOM 7610 H HA . VAL A 1 74 ? 12.295 5.704 -4.675 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 5 +ATOM 7611 H HB . VAL A 1 74 ? 12.614 6.741 -7.543 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 5 +ATOM 7612 H HG11 . VAL A 1 74 ? 11.031 8.076 -6.263 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 5 +ATOM 7613 H HG12 . VAL A 1 74 ? 12.510 8.993 -6.547 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 5 +ATOM 7614 H HG13 . VAL A 1 74 ? 12.205 8.274 -4.965 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 5 +ATOM 7615 H HG21 . VAL A 1 74 ? 14.452 7.122 -5.190 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 5 +ATOM 7616 H HG22 . VAL A 1 74 ? 14.656 7.835 -6.795 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 5 +ATOM 7617 H HG23 . VAL A 1 74 ? 14.753 6.083 -6.579 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 5 +ATOM 7618 N N . VAL A 1 75 ? 10.265 4.111 -5.805 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 5 +ATOM 7619 C CA . VAL A 1 75 ? 8.904 3.740 -6.114 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 5 +ATOM 7620 C C . VAL A 1 75 ? 8.236 3.054 -4.925 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 5 +ATOM 7621 O O . VAL A 1 75 ? 8.861 2.282 -4.185 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 5 +ATOM 7622 C CB . VAL A 1 75 ? 8.806 2.856 -7.417 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 5 +ATOM 7623 C CG1 . VAL A 1 75 ? 9.540 1.540 -7.271 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 5 +ATOM 7624 C CG2 . VAL A 1 75 ? 7.356 2.615 -7.839 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 5 +ATOM 7625 H H . VAL A 1 75 ? 10.851 3.469 -5.350 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 5 +ATOM 7626 H HA . VAL A 1 75 ? 8.369 4.662 -6.293 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 5 +ATOM 7627 H HB . VAL A 1 75 ? 9.296 3.405 -8.209 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 5 +ATOM 7628 H HG11 . VAL A 1 75 ? 9.100 0.969 -6.467 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 5 +ATOM 7629 H HG12 . VAL A 1 75 ? 10.577 1.744 -7.048 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 5 +ATOM 7630 H HG13 . VAL A 1 75 ? 9.466 0.986 -8.195 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 5 +ATOM 7631 H HG21 . VAL A 1 75 ? 6.837 2.094 -7.048 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 5 +ATOM 7632 H HG22 . VAL A 1 75 ? 7.335 2.015 -8.736 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 5 +ATOM 7633 H HG23 . VAL A 1 75 ? 6.867 3.560 -8.027 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 5 +ATOM 7634 N N . VAL A 1 76 ? 7.012 3.407 -4.722 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 5 +ATOM 7635 C CA . VAL A 1 76 ? 6.162 2.854 -3.727 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 5 +ATOM 7636 C C . VAL A 1 76 ? 5.259 1.849 -4.434 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 5 +ATOM 7637 O O . VAL A 1 76 ? 4.465 2.213 -5.315 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 5 +ATOM 7638 C CB . VAL A 1 76 ? 5.315 3.973 -3.074 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 5 +ATOM 7639 C CG1 . VAL A 1 76 ? 4.362 3.414 -2.055 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 5 +ATOM 7640 C CG2 . VAL A 1 76 ? 6.214 5.017 -2.433 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 5 +ATOM 7641 H H . VAL A 1 76 ? 6.615 4.095 -5.298 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 5 +ATOM 7642 H HA . VAL A 1 76 ? 6.762 2.359 -2.978 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 5 +ATOM 7643 H HB . VAL A 1 76 ? 4.744 4.460 -3.851 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 5 +ATOM 7644 H HG11 . VAL A 1 76 ? 3.787 4.219 -1.620 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 5 +ATOM 7645 H HG12 . VAL A 1 76 ? 4.921 2.908 -1.280 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 5 +ATOM 7646 H HG13 . VAL A 1 76 ? 3.693 2.714 -2.534 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 5 +ATOM 7647 H HG21 . VAL A 1 76 ? 6.822 4.548 -1.674 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 5 +ATOM 7648 H HG22 . VAL A 1 76 ? 5.609 5.788 -1.981 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 5 +ATOM 7649 H HG23 . VAL A 1 76 ? 6.853 5.455 -3.186 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 5 +ATOM 7650 N N . PHE A 1 77 ? 5.406 0.612 -4.082 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 5 +ATOM 7651 C CA . PHE A 1 77 ? 4.723 -0.456 -4.760 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 5 +ATOM 7652 C C . PHE A 1 77 ? 3.656 -1.070 -3.857 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 5 +ATOM 7653 O O . PHE A 1 77 ? 3.976 -1.701 -2.851 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 5 +ATOM 7654 C CB . PHE A 1 77 ? 5.766 -1.500 -5.181 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 5 +ATOM 7655 C CG . PHE A 1 77 ? 5.236 -2.628 -6.001 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 5 +ATOM 7656 C CD1 . PHE A 1 77 ? 5.009 -2.457 -7.348 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 5 +ATOM 7657 C CD2 . PHE A 1 77 ? 4.983 -3.860 -5.431 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 5 +ATOM 7658 C CE1 . PHE A 1 77 ? 4.538 -3.490 -8.116 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 5 +ATOM 7659 C CE2 . PHE A 1 77 ? 4.509 -4.898 -6.194 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 5 +ATOM 7660 C CZ . PHE A 1 77 ? 4.286 -4.709 -7.541 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 5 +ATOM 7661 H H . PHE A 1 77 ? 5.991 0.389 -3.322 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 5 +ATOM 7662 H HA . PHE A 1 77 ? 4.259 -0.057 -5.648 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 5 +ATOM 7663 H HB2 . PHE A 1 77 ? 6.533 -1.012 -5.764 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 5 +ATOM 7664 H HB3 . PHE A 1 77 ? 6.218 -1.914 -4.291 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 5 +ATOM 7665 H HD1 . PHE A 1 77 ? 5.205 -1.496 -7.800 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 5 +ATOM 7666 H HD2 . PHE A 1 77 ? 5.160 -4.003 -4.375 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 5 +ATOM 7667 H HE1 . PHE A 1 77 ? 4.367 -3.338 -9.170 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 5 +ATOM 7668 H HE2 . PHE A 1 77 ? 4.310 -5.857 -5.740 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 5 +ATOM 7669 H HZ . PHE A 1 77 ? 3.911 -5.518 -8.149 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 5 +ATOM 7670 N N . VAL A 1 78 ? 2.400 -0.870 -4.210 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 5 +ATOM 7671 C CA . VAL A 1 78 ? 1.273 -1.388 -3.438 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 5 +ATOM 7672 C C . VAL A 1 78 ? 1.136 -2.875 -3.681 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 5 +ATOM 7673 O O . VAL A 1 78 ? 0.987 -3.307 -4.826 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 5 +ATOM 7674 C CB . VAL A 1 78 ? -0.061 -0.671 -3.807 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 5 +ATOM 7675 C CG1 . VAL A 1 78 ? -1.235 -1.198 -2.970 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 5 +ATOM 7676 C CG2 . VAL A 1 78 ? 0.076 0.837 -3.653 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 5 +ATOM 7677 H H . VAL A 1 78 ? 2.227 -0.372 -5.042 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 5 +ATOM 7678 H HA . VAL A 1 78 ? 1.484 -1.233 -2.392 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 5 +ATOM 7679 H HB . VAL A 1 78 ? -0.277 -0.889 -4.843 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 5 +ATOM 7680 H HG11 . VAL A 1 78 ? -1.369 -2.252 -3.160 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 5 +ATOM 7681 H HG12 . VAL A 1 78 ? -2.144 -0.670 -3.218 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 5 +ATOM 7682 H HG13 . VAL A 1 78 ? -1.027 -1.058 -1.920 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 5 +ATOM 7683 H HG21 . VAL A 1 78 ? 0.360 1.076 -2.639 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 5 +ATOM 7684 H HG22 . VAL A 1 78 ? -0.869 1.307 -3.881 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 5 +ATOM 7685 H HG23 . VAL A 1 78 ? 0.831 1.201 -4.334 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 5 +ATOM 7686 N N . ILE A 1 79 ? 1.193 -3.650 -2.618 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 5 +ATOM 7687 C CA . ILE A 1 79 ? 1.133 -5.091 -2.740 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 5 +ATOM 7688 C C . ILE A 1 79 ? -0.273 -5.594 -2.423 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 5 +ATOM 7689 O O . ILE A 1 79 ? -0.808 -6.465 -3.108 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 5 +ATOM 7690 C CB . ILE A 1 79 ? 2.124 -5.790 -1.770 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 5 +ATOM 7691 C CG1 . ILE A 1 79 ? 3.543 -5.221 -1.908 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 5 +ATOM 7692 C CG2 . ILE A 1 79 ? 2.143 -7.292 -2.036 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 5 +ATOM 7693 C CD1 . ILE A 1 79 ? 4.526 -5.795 -0.901 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 5 +ATOM 7694 H H . ILE A 1 79 ? 1.271 -3.243 -1.727 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 5 +ATOM 7695 H HA . ILE A 1 79 ? 1.396 -5.359 -3.753 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 5 +ATOM 7696 H HB . ILE A 1 79 ? 1.776 -5.631 -0.759 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 5 +ATOM 7697 H HG12 . ILE A 1 79 ? 3.916 -5.451 -2.895 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 5 +ATOM 7698 H HG13 . ILE A 1 79 ? 3.511 -4.149 -1.776 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 5 +ATOM 7699 H HG21 . ILE A 1 79 ? 1.185 -7.722 -1.780 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 5 +ATOM 7700 H HG22 . ILE A 1 79 ? 2.935 -7.753 -1.466 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 5 +ATOM 7701 H HG23 . ILE A 1 79 ? 2.332 -7.450 -3.087 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 5 +ATOM 7702 H HD11 . ILE A 1 79 ? 5.498 -5.355 -1.056 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 5 +ATOM 7703 H HD12 . ILE A 1 79 ? 4.590 -6.865 -1.031 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 5 +ATOM 7704 H HD13 . ILE A 1 79 ? 4.185 -5.576 0.102 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 5 +ATOM 7705 N N . SER A 1 80 ? -0.876 -5.047 -1.391 1.00 0.00 ? ? ? ? ? ? 77 SER A N 5 +ATOM 7706 C CA . SER A 1 80 ? -2.178 -5.499 -0.954 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 5 +ATOM 7707 C C . SER A 1 80 ? -2.970 -4.344 -0.364 1.00 0.00 ? ? ? ? ? ? 77 SER A C 5 +ATOM 7708 O O . SER A 1 80 ? -2.394 -3.405 0.181 1.00 0.00 ? ? ? ? ? ? 77 SER A O 5 +ATOM 7709 C CB . SER A 1 80 ? -2.015 -6.627 0.076 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 5 +ATOM 7710 O OG . SER A 1 80 ? -1.302 -7.719 -0.484 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 5 +ATOM 7711 H H . SER A 1 80 ? -0.458 -4.307 -0.897 1.00 0.00 ? ? ? ? ? ? 77 SER A H 5 +ATOM 7712 H HA . SER A 1 80 ? -2.706 -5.888 -1.813 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 5 +ATOM 7713 H HB2 . SER A 1 80 ? -1.462 -6.254 0.925 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 5 +ATOM 7714 H HB3 . SER A 1 80 ? -2.989 -6.969 0.397 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 5 +ATOM 7715 H HG . SER A 1 80 ? -1.128 -7.516 -1.413 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 5 +ATOM 7716 N N . VAL A 1 81 ? -4.267 -4.403 -0.488 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 5 +ATOM 7717 C CA . VAL A 1 81 ? -5.127 -3.362 -0.000 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 5 +ATOM 7718 C C . VAL A 1 81 ? -6.471 -3.968 0.425 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 5 +ATOM 7719 O O . VAL A 1 81 ? -6.959 -4.906 -0.218 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 5 +ATOM 7720 C CB . VAL A 1 81 ? -5.308 -2.241 -1.088 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 5 +ATOM 7721 C CG1 . VAL A 1 81 ? -5.883 -2.780 -2.388 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 5 +ATOM 7722 C CG2 . VAL A 1 81 ? -6.137 -1.091 -0.576 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 5 +ATOM 7723 H H . VAL A 1 81 ? -4.704 -5.173 -0.910 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 5 +ATOM 7724 H HA . VAL A 1 81 ? -4.655 -2.930 0.871 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 5 +ATOM 7725 H HB . VAL A 1 81 ? -4.320 -1.868 -1.318 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 5 +ATOM 7726 H HG11 . VAL A 1 81 ? -6.852 -3.217 -2.198 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 5 +ATOM 7727 H HG12 . VAL A 1 81 ? -5.220 -3.534 -2.787 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 5 +ATOM 7728 H HG13 . VAL A 1 81 ? -5.984 -1.977 -3.102 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 5 +ATOM 7729 H HG21 . VAL A 1 81 ? -5.651 -0.669 0.293 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 5 +ATOM 7730 H HG22 . VAL A 1 81 ? -7.125 -1.436 -0.316 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 5 +ATOM 7731 H HG23 . VAL A 1 81 ? -6.195 -0.340 -1.350 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 5 +ATOM 7732 N N . GLY A 1 82 ? -7.011 -3.500 1.533 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 5 +ATOM 7733 C CA . GLY A 1 82 ? -8.291 -3.978 1.997 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 5 +ATOM 7734 C C . GLY A 1 82 ? -8.340 -4.056 3.498 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 5 +ATOM 7735 O O . GLY A 1 82 ? -7.770 -3.210 4.182 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 5 +ATOM 7736 H H . GLY A 1 82 ? -6.533 -2.837 2.081 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 5 +ATOM 7737 H HA2 . GLY A 1 82 ? -9.063 -3.303 1.658 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 5 +ATOM 7738 H HA3 . GLY A 1 82 ? -8.468 -4.960 1.586 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 5 +ATOM 7739 N N . LYS A 1 83 ? -9.012 -5.042 4.017 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 5 +ATOM 7740 C CA . LYS A 1 83 ? -9.085 -5.225 5.446 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 5 +ATOM 7741 C C . LYS A 1 83 ? -8.052 -6.235 5.892 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 5 +ATOM 7742 O O . LYS A 1 83 ? -7.632 -7.098 5.112 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 5 +ATOM 7743 C CB . LYS A 1 83 ? -10.461 -5.707 5.889 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 5 +ATOM 7744 C CG . LYS A 1 83 ? -11.612 -4.751 5.615 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 5 +ATOM 7745 C CD . LYS A 1 83 ? -12.917 -5.288 6.195 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 5 +ATOM 7746 C CE . LYS A 1 83 ? -12.851 -5.399 7.723 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 5 +ATOM 7747 N NZ . LYS A 1 83 ? -14.047 -6.035 8.292 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 5 +ATOM 7748 H H . LYS A 1 83 ? -9.461 -5.679 3.421 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 5 +ATOM 7749 H HA . LYS A 1 83 ? -8.878 -4.276 5.917 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 5 +ATOM 7750 H HB2 . LYS A 1 83 ? -10.678 -6.640 5.390 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 5 +ATOM 7751 H HB3 . LYS A 1 83 ? -10.403 -5.885 6.951 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 5 +ATOM 7752 H HG2 . LYS A 1 83 ? -11.387 -3.797 6.066 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 5 +ATOM 7753 H HG3 . LYS A 1 83 ? -11.722 -4.634 4.546 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 5 +ATOM 7754 H HD2 . LYS A 1 83 ? -13.716 -4.613 5.924 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 5 +ATOM 7755 H HD3 . LYS A 1 83 ? -13.116 -6.263 5.777 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 5 +ATOM 7756 H HE2 . LYS A 1 83 ? -11.998 -5.990 8.015 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 5 +ATOM 7757 H HE3 . LYS A 1 83 ? -12.755 -4.405 8.135 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 5 +ATOM 7758 H HZ1 . LYS A 1 83 ? -13.953 -6.109 9.326 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 5 +ATOM 7759 H HZ2 . LYS A 1 83 ? -14.145 -7.003 7.930 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 5 +ATOM 7760 H HZ3 . LYS A 1 83 ? -14.913 -5.501 8.076 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 5 +ATOM 7761 N N . ALA A 1 84 ? -7.658 -6.142 7.131 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 5 +ATOM 7762 C CA . ALA A 1 84 ? -6.709 -7.052 7.700 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 5 +ATOM 7763 C C . ALA A 1 84 ? -7.108 -7.347 9.121 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 5 +ATOM 7764 O O . ALA A 1 84 ? -6.930 -6.501 10.005 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 5 +ATOM 7765 C CB . ALA A 1 84 ? -5.311 -6.457 7.671 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 5 +ATOM 7766 H H . ALA A 1 84 ? -8.037 -5.449 7.713 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 5 +ATOM 7767 H HA . ALA A 1 84 ? -6.708 -7.958 7.110 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 5 +ATOM 7768 H HB1 . ALA A 1 84 ? -4.608 -7.171 8.077 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 5 +ATOM 7769 H HB2 . ALA A 1 84 ? -5.294 -5.561 8.274 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 5 +ATOM 7770 H HB3 . ALA A 1 84 ? -5.038 -6.216 6.655 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 5 +ATOM 7771 N N . GLU A 1 85 ? -7.710 -8.498 9.339 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 5 +ATOM 7772 C CA . GLU A 1 85 ? -8.094 -8.887 10.681 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 5 +ATOM 7773 C C . GLU A 1 85 ? -6.861 -9.156 11.516 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 5 +ATOM 7774 O O . GLU A 1 85 ? -6.755 -8.698 12.650 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 5 +ATOM 7775 C CB . GLU A 1 85 ? -9.010 -10.116 10.684 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 5 +ATOM 7776 C CG . GLU A 1 85 ? -10.341 -9.906 9.990 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 5 +ATOM 7777 C CD . GLU A 1 85 ? -11.092 -8.716 10.534 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 5 +ATOM 7778 O OE1 . GLU A 1 85 ? -11.328 -8.650 11.766 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 5 +ATOM 7779 O OE2 . GLU A 1 85 ? -11.433 -7.811 9.751 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 5 +ATOM 7780 H H . GLU A 1 85 ? -7.937 -9.091 8.590 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 5 +ATOM 7781 H HA . GLU A 1 85 ? -8.623 -8.053 11.118 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 5 +ATOM 7782 H HB2 . GLU A 1 85 ? -8.500 -10.929 10.189 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 5 +ATOM 7783 H HB3 . GLU A 1 85 ? -9.201 -10.400 11.707 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 5 +ATOM 7784 H HG2 . GLU A 1 85 ? -10.162 -9.748 8.937 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 5 +ATOM 7785 H HG3 . GLU A 1 85 ? -10.948 -10.789 10.121 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 5 +ATOM 7786 N N . ALA A 1 86 ? -5.932 -9.886 10.955 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 5 +ATOM 7787 C CA . ALA A 1 86 ? -4.716 -10.205 11.651 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 5 +ATOM 7788 C C . ALA A 1 86 ? -3.545 -10.367 10.697 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 5 +ATOM 7789 O O . ALA A 1 86 ? -2.579 -9.615 10.757 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 5 +ATOM 7790 C CB . ALA A 1 86 ? -4.898 -11.468 12.477 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 5 +ATOM 7791 H H . ALA A 1 86 ? -6.089 -10.231 10.051 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 5 +ATOM 7792 H HA . ALA A 1 86 ? -4.503 -9.395 12.334 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 5 +ATOM 7793 H HB1 . ALA A 1 86 ? -5.720 -11.331 13.163 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 5 +ATOM 7794 H HB2 . ALA A 1 86 ? -3.991 -11.672 13.024 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 5 +ATOM 7795 H HB3 . ALA A 1 86 ? -5.114 -12.299 11.820 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 5 +ATOM 7796 N N . SER A 1 87 ? -3.632 -11.319 9.808 1.00 0.00 ? ? ? ? ? ? 84 SER A N 5 +ATOM 7797 C CA . SER A 1 87 ? -2.504 -11.653 8.966 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 5 +ATOM 7798 C C . SER A 1 87 ? -2.829 -11.705 7.464 1.00 0.00 ? ? ? ? ? ? 84 SER A C 5 +ATOM 7799 O O . SER A 1 87 ? -1.977 -12.100 6.668 1.00 0.00 ? ? ? ? ? ? 84 SER A O 5 +ATOM 7800 C CB . SER A 1 87 ? -1.940 -12.985 9.463 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 5 +ATOM 7801 O OG . SER A 1 87 ? -3.009 -13.863 9.843 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 5 +ATOM 7802 H H . SER A 1 87 ? -4.453 -11.853 9.722 1.00 0.00 ? ? ? ? ? ? 84 SER A H 5 +ATOM 7803 H HA . SER A 1 87 ? -1.742 -10.907 9.130 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 5 +ATOM 7804 H HB2 . SER A 1 87 ? -1.360 -13.452 8.681 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 5 +ATOM 7805 H HB3 . SER A 1 87 ? -1.318 -12.806 10.327 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 5 +ATOM 7806 H HG . SER A 1 87 ? -3.053 -14.606 9.225 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 5 +ATOM 7807 N N . GLU A 1 88 ? -4.015 -11.239 7.079 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 5 +ATOM 7808 C CA . GLU A 1 88 ? -4.494 -11.325 5.676 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 5 +ATOM 7809 C C . GLU A 1 88 ? -3.538 -10.624 4.708 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 5 +ATOM 7810 O O . GLU A 1 88 ? -3.032 -11.224 3.764 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 5 +ATOM 7811 C CB . GLU A 1 88 ? -5.849 -10.629 5.575 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 5 +ATOM 7812 C CG . GLU A 1 88 ? -6.630 -10.930 4.308 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 5 +ATOM 7813 C CD . GLU A 1 88 ? -7.053 -12.372 4.255 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 5 +ATOM 7814 O OE1 . GLU A 1 88 ? -7.681 -12.837 5.231 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 5 +ATOM 7815 O OE2 . GLU A 1 88 ? -6.741 -13.074 3.270 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 5 +ATOM 7816 H H . GLU A 1 88 ? -4.615 -10.870 7.759 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 5 +ATOM 7817 H HA . GLU A 1 88 ? -4.617 -12.361 5.396 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 5 +ATOM 7818 H HB2 . GLU A 1 88 ? -6.448 -10.927 6.418 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 5 +ATOM 7819 H HB3 . GLU A 1 88 ? -5.688 -9.561 5.624 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 5 +ATOM 7820 H HG2 . GLU A 1 88 ? -7.510 -10.305 4.279 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 5 +ATOM 7821 H HG3 . GLU A 1 88 ? -6.006 -10.718 3.453 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 5 +ATOM 7822 N N . VAL A 1 89 ? -3.228 -9.385 5.013 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 5 +ATOM 7823 C CA . VAL A 1 89 ? -2.386 -8.585 4.146 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 5 +ATOM 7824 C C . VAL A 1 89 ? -0.923 -8.981 4.269 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 5 +ATOM 7825 O O . VAL A 1 89 ? -0.160 -8.834 3.336 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 5 +ATOM 7826 C CB . VAL A 1 89 ? -2.571 -7.062 4.398 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 5 +ATOM 7827 C CG1 . VAL A 1 89 ? -3.994 -6.633 4.063 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 5 +ATOM 7828 C CG2 . VAL A 1 89 ? -2.226 -6.691 5.839 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 5 +ATOM 7829 H H . VAL A 1 89 ? -3.594 -8.993 5.830 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 5 +ATOM 7830 H HA . VAL A 1 89 ? -2.697 -8.800 3.134 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 5 +ATOM 7831 H HB . VAL A 1 89 ? -1.908 -6.529 3.736 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 5 +ATOM 7832 H HG11 . VAL A 1 89 ? -4.193 -6.834 3.020 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 5 +ATOM 7833 H HG12 . VAL A 1 89 ? -4.109 -5.577 4.256 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 5 +ATOM 7834 H HG13 . VAL A 1 89 ? -4.688 -7.190 4.675 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 5 +ATOM 7835 H HG21 . VAL A 1 89 ? -1.194 -6.941 6.038 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 5 +ATOM 7836 H HG22 . VAL A 1 89 ? -2.863 -7.243 6.514 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 5 +ATOM 7837 H HG23 . VAL A 1 89 ? -2.378 -5.633 5.987 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 5 +ATOM 7838 N N . TYR A 1 90 ? -0.562 -9.534 5.413 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 5 +ATOM 7839 C CA . TYR A 1 90 ? 0.808 -9.943 5.660 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 5 +ATOM 7840 C C . TYR A 1 90 ? 1.146 -11.166 4.850 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 5 +ATOM 7841 O O . TYR A 1 90 ? 2.213 -11.237 4.256 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 5 +ATOM 7842 C CB . TYR A 1 90 ? 1.051 -10.217 7.144 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 5 +ATOM 7843 C CG . TYR A 1 90 ? 0.972 -8.992 8.021 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 5 +ATOM 7844 C CD1 . TYR A 1 90 ? -0.236 -8.560 8.550 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 5 +ATOM 7845 C CD2 . TYR A 1 90 ? 2.114 -8.269 8.324 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 5 +ATOM 7846 C CE1 . TYR A 1 90 ? -0.302 -7.441 9.353 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 5 +ATOM 7847 C CE2 . TYR A 1 90 ? 2.058 -7.154 9.128 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 5 +ATOM 7848 C CZ . TYR A 1 90 ? 0.848 -6.743 9.641 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 5 +ATOM 7849 O OH . TYR A 1 90 ? 0.787 -5.630 10.450 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 5 +ATOM 7850 H H . TYR A 1 90 ? -1.250 -9.683 6.092 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 5 +ATOM 7851 H HA . TYR A 1 90 ? 1.452 -9.134 5.347 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 5 +ATOM 7852 H HB2 . TYR A 1 90 ? 0.313 -10.924 7.493 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 5 +ATOM 7853 H HB3 . TYR A 1 90 ? 2.033 -10.651 7.262 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 5 +ATOM 7854 H HD1 . TYR A 1 90 ? -1.137 -9.109 8.322 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 5 +ATOM 7855 H HD2 . TYR A 1 90 ? 3.062 -8.592 7.920 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 5 +ATOM 7856 H HE1 . TYR A 1 90 ? -1.251 -7.119 9.754 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 5 +ATOM 7857 H HE2 . TYR A 1 90 ? 2.961 -6.605 9.345 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 5 +ATOM 7858 H HH . TYR A 1 90 ? 0.201 -5.837 11.189 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 5 +ATOM 7859 N N . SER A 1 91 ? 0.201 -12.098 4.793 1.00 0.00 ? ? ? ? ? ? 88 SER A N 5 +ATOM 7860 C CA . SER A 1 91 ? 0.376 -13.348 4.076 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 5 +ATOM 7861 C C . SER A 1 91 ? 0.664 -13.090 2.593 1.00 0.00 ? ? ? ? ? ? 88 SER A C 5 +ATOM 7862 O O . SER A 1 91 ? 1.666 -13.569 2.052 1.00 0.00 ? ? ? ? ? ? 88 SER A O 5 +ATOM 7863 C CB . SER A 1 91 ? -0.878 -14.220 4.228 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 5 +ATOM 7864 O OG . SER A 1 91 ? -1.181 -14.468 5.606 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 5 +ATOM 7865 H H . SER A 1 91 ? -0.653 -11.936 5.247 1.00 0.00 ? ? ? ? ? ? 88 SER A H 5 +ATOM 7866 H HA . SER A 1 91 ? 1.216 -13.870 4.510 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 5 +ATOM 7867 H HB2 . SER A 1 91 ? -1.718 -13.715 3.774 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 5 +ATOM 7868 H HB3 . SER A 1 91 ? -0.715 -15.164 3.731 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 5 +ATOM 7869 H HG . SER A 1 91 ? -1.342 -13.621 6.040 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 5 +ATOM 7870 N N . GLU A 1 92 ? -0.175 -12.281 1.964 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 5 +ATOM 7871 C CA . GLU A 1 92 ? -0.006 -12.000 0.558 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 5 +ATOM 7872 C C . GLU A 1 92 ? 1.211 -11.136 0.291 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 5 +ATOM 7873 O O . GLU A 1 92 ? 1.902 -11.333 -0.706 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 5 +ATOM 7874 C CB . GLU A 1 92 ? -1.261 -11.399 -0.067 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 5 +ATOM 7875 C CG . GLU A 1 92 ? -2.454 -12.334 -0.032 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 5 +ATOM 7876 C CD . GLU A 1 92 ? -3.569 -11.886 -0.937 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 5 +ATOM 7877 O OE1 . GLU A 1 92 ? -3.404 -11.990 -2.182 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 5 +ATOM 7878 O OE2 . GLU A 1 92 ? -4.632 -11.441 -0.442 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 5 +ATOM 7879 H H . GLU A 1 92 ? -0.927 -11.878 2.445 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 5 +ATOM 7880 H HA . GLU A 1 92 ? 0.179 -12.955 0.088 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 5 +ATOM 7881 H HB2 . GLU A 1 92 ? -1.518 -10.493 0.465 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 5 +ATOM 7882 H HB3 . GLU A 1 92 ? -1.053 -11.154 -1.097 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 5 +ATOM 7883 H HG2 . GLU A 1 92 ? -2.132 -13.315 -0.351 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 5 +ATOM 7884 H HG3 . GLU A 1 92 ? -2.827 -12.392 0.980 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 5 +ATOM 7885 N N . ALA A 1 93 ? 1.495 -10.211 1.190 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 5 +ATOM 7886 C CA . ALA A 1 93 ? 2.636 -9.339 1.031 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 5 +ATOM 7887 C C . ALA A 1 93 ? 3.945 -10.113 1.101 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 5 +ATOM 7888 O O . ALA A 1 93 ? 4.790 -9.995 0.209 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 5 +ATOM 7889 C CB . ALA A 1 93 ? 2.623 -8.209 2.050 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 5 +ATOM 7890 H H . ALA A 1 93 ? 0.912 -10.103 1.972 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 5 +ATOM 7891 H HA . ALA A 1 93 ? 2.556 -8.906 0.047 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 5 +ATOM 7892 H HB1 . ALA A 1 93 ? 3.438 -7.531 1.849 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 5 +ATOM 7893 H HB2 . ALA A 1 93 ? 2.729 -8.619 3.044 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 5 +ATOM 7894 H HB3 . ALA A 1 93 ? 1.687 -7.676 1.980 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 5 +ATOM 7895 N N . VAL A 1 94 ? 4.096 -10.946 2.121 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 5 +ATOM 7896 C CA . VAL A 1 94 ? 5.334 -11.682 2.298 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 5 +ATOM 7897 C C . VAL A 1 94 ? 5.513 -12.731 1.195 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 5 +ATOM 7898 O O . VAL A 1 94 ? 6.611 -12.914 0.687 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 5 +ATOM 7899 C CB . VAL A 1 94 ? 5.482 -12.309 3.729 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 5 +ATOM 7900 C CG1 . VAL A 1 94 ? 4.508 -13.449 3.983 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 5 +ATOM 7901 C CG2 . VAL A 1 94 ? 6.918 -12.737 4.000 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 5 +ATOM 7902 H H . VAL A 1 94 ? 3.363 -11.064 2.767 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 5 +ATOM 7903 H HA . VAL A 1 94 ? 6.126 -10.961 2.155 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 5 +ATOM 7904 H HB . VAL A 1 94 ? 5.234 -11.531 4.436 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 5 +ATOM 7905 H HG11 . VAL A 1 94 ? 4.666 -13.844 4.975 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 5 +ATOM 7906 H HG12 . VAL A 1 94 ? 4.669 -14.227 3.252 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 5 +ATOM 7907 H HG13 . VAL A 1 94 ? 3.495 -13.086 3.896 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 5 +ATOM 7908 H HG21 . VAL A 1 94 ? 6.987 -13.168 4.987 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 5 +ATOM 7909 H HG22 . VAL A 1 94 ? 7.570 -11.879 3.938 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 5 +ATOM 7910 H HG23 . VAL A 1 94 ? 7.216 -13.471 3.266 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 5 +ATOM 7911 N N . LYS A 1 95 ? 4.422 -13.358 0.772 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 5 +ATOM 7912 C CA . LYS A 1 95 ? 4.491 -14.363 -0.276 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 5 +ATOM 7913 C C . LYS A 1 95 ? 4.632 -13.737 -1.659 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 5 +ATOM 7914 O O . LYS A 1 95 ? 4.864 -14.431 -2.653 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 5 +ATOM 7915 C CB . LYS A 1 95 ? 3.321 -15.350 -0.222 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 5 +ATOM 7916 C CG . LYS A 1 95 ? 3.277 -16.213 1.050 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 5 +ATOM 7917 C CD . LYS A 1 95 ? 4.595 -16.967 1.298 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 5 +ATOM 7918 C CE . LYS A 1 95 ? 5.008 -17.842 0.112 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 5 +ATOM 7919 N NZ . LYS A 1 95 ? 4.040 -18.927 -0.176 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 5 +ATOM 7920 H H . LYS A 1 95 ? 3.551 -13.153 1.183 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 5 +ATOM 7921 H HA . LYS A 1 95 ? 5.406 -14.908 -0.098 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 5 +ATOM 7922 H HB2 . LYS A 1 95 ? 2.399 -14.791 -0.282 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 5 +ATOM 7923 H HB3 . LYS A 1 95 ? 3.380 -16.008 -1.077 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 5 +ATOM 7924 H HG2 . LYS A 1 95 ? 3.085 -15.569 1.896 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 5 +ATOM 7925 H HG3 . LYS A 1 95 ? 2.473 -16.927 0.958 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 5 +ATOM 7926 H HD2 . LYS A 1 95 ? 5.382 -16.256 1.494 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 5 +ATOM 7927 H HD3 . LYS A 1 95 ? 4.468 -17.598 2.165 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 5 +ATOM 7928 H HE2 . LYS A 1 95 ? 5.089 -17.214 -0.763 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 5 +ATOM 7929 H HE3 . LYS A 1 95 ? 5.976 -18.272 0.320 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 5 +ATOM 7930 H HZ1 . LYS A 1 95 ? 3.972 -19.603 0.611 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 5 +ATOM 7931 H HZ2 . LYS A 1 95 ? 4.356 -19.436 -1.026 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 5 +ATOM 7932 H HZ3 . LYS A 1 95 ? 3.097 -18.537 -0.374 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 5 +ATOM 7933 N N . ARG A 1 96 ? 4.448 -12.443 -1.740 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 5 +ATOM 7934 C CA . ARG A 1 96 ? 4.649 -11.757 -2.989 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 5 +ATOM 7935 C C . ARG A 1 96 ? 6.126 -11.467 -3.156 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 5 +ATOM 7936 O O . ARG A 1 96 ? 6.684 -11.533 -4.268 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 5 +ATOM 7937 C CB . ARG A 1 96 ? 3.822 -10.473 -3.057 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 5 +ATOM 7938 C CG . ARG A 1 96 ? 3.766 -9.842 -4.437 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 5 +ATOM 7939 C CD . ARG A 1 96 ? 3.226 -10.837 -5.452 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 5 +ATOM 7940 N NE . ARG A 1 96 ? 2.992 -10.232 -6.744 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 5 +ATOM 7941 C CZ . ARG A 1 96 ? 2.975 -10.863 -7.912 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 5 +ATOM 7942 N NH1 . ARG A 1 96 ? 3.350 -12.142 -8.012 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 5 +ATOM 7943 N NH2 . ARG A 1 96 ? 2.624 -10.185 -8.980 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 5 +ATOM 7944 H H . ARG A 1 96 ? 4.145 -11.946 -0.949 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 5 +ATOM 7945 H HA . ARG A 1 96 ? 4.345 -12.426 -3.773 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 5 +ATOM 7946 H HB2 . ARG A 1 96 ? 2.812 -10.691 -2.741 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 5 +ATOM 7947 H HB3 . ARG A 1 96 ? 4.249 -9.753 -2.374 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 5 +ATOM 7948 H HG2 . ARG A 1 96 ? 3.116 -8.981 -4.412 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 5 +ATOM 7949 H HG3 . ARG A 1 96 ? 4.760 -9.543 -4.732 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 5 +ATOM 7950 H HD2 . ARG A 1 96 ? 3.953 -11.624 -5.585 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 5 +ATOM 7951 H HD3 . ARG A 1 96 ? 2.301 -11.255 -5.082 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 5 +ATOM 7952 H HE . ARG A 1 96 ? 2.777 -9.264 -6.747 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 5 +ATOM 7953 H HH11 . ARG A 1 96 ? 3.661 -12.667 -7.216 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 5 +ATOM 7954 H HH12 . ARG A 1 96 ? 3.340 -12.621 -8.895 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 5 +ATOM 7955 H HH21 . ARG A 1 96 ? 2.398 -9.212 -8.845 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 5 +ATOM 7956 H HH22 . ARG A 1 96 ? 2.520 -10.570 -9.903 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 5 +ATOM 7957 N N . ILE A 1 97 ? 6.757 -11.199 -2.052 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 5 +ATOM 7958 C CA . ILE A 1 97 ? 8.160 -10.916 -2.019 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 5 +ATOM 7959 C C . ILE A 1 97 ? 8.953 -12.223 -2.097 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 5 +ATOM 7960 O O . ILE A 1 97 ? 9.847 -12.361 -2.927 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 5 +ATOM 7961 C CB . ILE A 1 97 ? 8.509 -10.124 -0.740 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 5 +ATOM 7962 C CG1 . ILE A 1 97 ? 7.685 -8.831 -0.728 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 5 +ATOM 7963 C CG2 . ILE A 1 97 ? 10.005 -9.811 -0.684 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 5 +ATOM 7964 C CD1 . ILE A 1 97 ? 7.752 -8.068 0.560 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 5 +ATOM 7965 H H . ILE A 1 97 ? 6.246 -11.186 -1.214 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 5 +ATOM 7966 H HA . ILE A 1 97 ? 8.395 -10.307 -2.878 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 5 +ATOM 7967 H HB . ILE A 1 97 ? 8.239 -10.710 0.126 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 5 +ATOM 7968 H HG12 . ILE A 1 97 ? 8.042 -8.177 -1.511 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 5 +ATOM 7969 H HG13 . ILE A 1 97 ? 6.651 -9.075 -0.921 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 5 +ATOM 7970 H HG21 . ILE A 1 97 ? 10.226 -9.262 0.220 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 5 +ATOM 7971 H HG22 . ILE A 1 97 ? 10.280 -9.219 -1.544 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 5 +ATOM 7972 H HG23 . ILE A 1 97 ? 10.561 -10.736 -0.691 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 5 +ATOM 7973 H HD11 . ILE A 1 97 ? 7.150 -7.177 0.469 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 5 +ATOM 7974 H HD12 . ILE A 1 97 ? 8.778 -7.814 0.780 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 5 +ATOM 7975 H HD13 . ILE A 1 97 ? 7.344 -8.700 1.334 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 5 +ATOM 7976 N N . LEU A 1 98 ? 8.584 -13.185 -1.277 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 5 +ATOM 7977 C CA . LEU A 1 98 ? 9.262 -14.467 -1.248 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 5 +ATOM 7978 C C . LEU A 1 98 ? 8.806 -15.342 -2.395 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 5 +ATOM 7979 O O . LEU A 1 98 ? 9.418 -15.266 -3.479 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 5 +ATOM 7980 C CB . LEU A 1 98 ? 9.042 -15.182 0.087 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 5 +ATOM 7981 C CG . LEU A 1 98 ? 9.601 -14.483 1.323 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 5 +ATOM 7982 C CD1 . LEU A 1 98 ? 9.272 -15.280 2.565 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 5 +ATOM 7983 C CD2 . LEU A 1 98 ? 11.103 -14.300 1.198 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 5 +ATOM 7984 O OXT . LEU A 1 98 ? 7.855 -16.122 -2.242 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 5 +ATOM 7985 H H . LEU A 1 98 ? 7.825 -13.050 -0.667 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 5 +ATOM 7986 H HA . LEU A 1 98 ? 10.318 -14.280 -1.371 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 5 +ATOM 7987 H HB2 . LEU A 1 98 ? 7.978 -15.304 0.226 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 5 +ATOM 7988 H HB3 . LEU A 1 98 ? 9.491 -16.162 0.022 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 5 +ATOM 7989 H HG . LEU A 1 98 ? 9.145 -13.508 1.420 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 5 +ATOM 7990 H HD11 . LEU A 1 98 ? 9.725 -16.258 2.502 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 5 +ATOM 7991 H HD12 . LEU A 1 98 ? 8.201 -15.388 2.648 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 5 +ATOM 7992 H HD13 . LEU A 1 98 ? 9.648 -14.761 3.435 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 5 +ATOM 7993 H HD21 . LEU A 1 98 ? 11.570 -15.266 1.079 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 5 +ATOM 7994 H HD22 . LEU A 1 98 ? 11.475 -13.829 2.096 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 5 +ATOM 7995 H HD23 . LEU A 1 98 ? 11.329 -13.678 0.345 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 5 +ATOM 7996 N N . MET A 1 4 ? 10.761 15.733 -2.178 1.00 0.00 ? ? ? ? ? ? 1 MET A N 6 +ATOM 7997 C CA . MET A 1 4 ? 11.071 14.554 -2.953 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 6 +ATOM 7998 C C . MET A 1 4 ? 9.784 13.797 -3.125 1.00 0.00 ? ? ? ? ? ? 1 MET A C 6 +ATOM 7999 O O . MET A 1 4 ? 8.932 13.852 -2.250 1.00 0.00 ? ? ? ? ? ? 1 MET A O 6 +ATOM 8000 C CB . MET A 1 4 ? 12.095 13.687 -2.213 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 6 +ATOM 8001 C CG . MET A 1 4 ? 12.599 12.486 -3.002 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 6 +ATOM 8002 S SD . MET A 1 4 ? 13.770 11.484 -2.069 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 6 +ATOM 8003 C CE . MET A 1 4 ? 14.187 10.241 -3.284 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 6 +ATOM 8004 H H . MET A 1 4 ? 11.600 16.306 -1.969 1.00 0.00 ? ? ? ? ? ? 1 MET A H 6 +ATOM 8005 H HA . MET A 1 4 ? 11.459 14.863 -3.911 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 6 +ATOM 8006 H HB2 . MET A 1 4 ? 12.947 14.295 -1.949 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 6 +ATOM 8007 H HB3 . MET A 1 4 ? 11.628 13.321 -1.312 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 6 +ATOM 8008 H HG2 . MET A 1 4 ? 11.757 11.867 -3.274 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 6 +ATOM 8009 H HG3 . MET A 1 4 ? 13.088 12.842 -3.896 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 6 +ATOM 8010 H HE1 . MET A 1 4 ? 14.631 10.716 -4.147 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 6 +ATOM 8011 H HE2 . MET A 1 4 ? 13.295 9.712 -3.583 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 6 +ATOM 8012 H HE3 . MET A 1 4 ? 14.894 9.547 -2.853 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 6 +ATOM 8013 N N . ALA A 1 5 ? 9.618 13.141 -4.235 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 6 +ATOM 8014 C CA . ALA A 1 5 ? 8.435 12.366 -4.487 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 6 +ATOM 8015 C C . ALA A 1 5 ? 8.814 11.024 -5.065 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 6 +ATOM 8016 O O . ALA A 1 5 ? 9.795 10.908 -5.815 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 6 +ATOM 8017 C CB . ALA A 1 5 ? 7.488 13.106 -5.424 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 6 +ATOM 8018 H H . ALA A 1 5 ? 10.318 13.172 -4.923 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 6 +ATOM 8019 H HA . ALA A 1 5 ? 7.933 12.211 -3.544 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 6 +ATOM 8020 H HB1 . ALA A 1 5 ? 7.232 14.065 -4.998 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 6 +ATOM 8021 H HB2 . ALA A 1 5 ? 6.590 12.520 -5.557 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 6 +ATOM 8022 H HB3 . ALA A 1 5 ? 7.969 13.252 -6.380 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 6 +ATOM 8023 N N . TYR A 1 6 ? 8.086 10.021 -4.683 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 6 +ATOM 8024 C CA . TYR A 1 6 ? 8.287 8.682 -5.180 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 6 +ATOM 8025 C C . TYR A 1 6 ? 7.163 8.335 -6.132 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 6 +ATOM 8026 O O . TYR A 1 6 ? 6.172 9.071 -6.228 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 6 +ATOM 8027 C CB . TYR A 1 6 ? 8.332 7.660 -4.027 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 6 +ATOM 8028 C CG . TYR A 1 6 ? 9.540 7.761 -3.102 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 6 +ATOM 8029 C CD1 . TYR A 1 6 ? 9.836 8.933 -2.408 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 6 +ATOM 8030 C CD2 . TYR A 1 6 ? 10.363 6.664 -2.901 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 6 +ATOM 8031 C CE1 . TYR A 1 6 ? 10.911 9.005 -1.553 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 6 +ATOM 8032 C CE2 . TYR A 1 6 ? 11.444 6.731 -2.048 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 6 +ATOM 8033 C CZ . TYR A 1 6 ? 11.714 7.902 -1.376 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 6 +ATOM 8034 O OH . TYR A 1 6 ? 12.780 7.963 -0.506 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 6 +ATOM 8035 H H . TYR A 1 6 ? 7.369 10.183 -4.035 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 6 +ATOM 8036 H HA . TYR A 1 6 ? 9.225 8.658 -5.713 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 6 +ATOM 8037 H HB2 . TYR A 1 6 ? 7.448 7.766 -3.418 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 6 +ATOM 8038 H HB3 . TYR A 1 6 ? 8.333 6.671 -4.459 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 6 +ATOM 8039 H HD1 . TYR A 1 6 ? 9.204 9.798 -2.550 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 6 +ATOM 8040 H HD2 . TYR A 1 6 ? 10.153 5.745 -3.429 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 6 +ATOM 8041 H HE1 . TYR A 1 6 ? 11.122 9.923 -1.026 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 6 +ATOM 8042 H HE2 . TYR A 1 6 ? 12.076 5.868 -1.907 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 6 +ATOM 8043 H HH . TYR A 1 6 ? 13.468 7.375 -0.870 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 6 +ATOM 8044 N N . PHE A 1 7 ? 7.317 7.254 -6.834 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 6 +ATOM 8045 C CA . PHE A 1 7 ? 6.322 6.791 -7.770 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 6 +ATOM 8046 C C . PHE A 1 7 ? 5.420 5.792 -7.081 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 6 +ATOM 8047 O O . PHE A 1 7 ? 5.785 5.268 -6.055 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 6 +ATOM 8048 C CB . PHE A 1 7 ? 7.018 6.186 -8.989 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 6 +ATOM 8049 C CG . PHE A 1 7 ? 7.870 7.197 -9.700 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 6 +ATOM 8050 C CD1 . PHE A 1 7 ? 7.291 8.194 -10.463 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 6 +ATOM 8051 C CD2 . PHE A 1 7 ? 9.246 7.167 -9.584 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 6 +ATOM 8052 C CE1 . PHE A 1 7 ? 8.065 9.139 -11.095 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 6 +ATOM 8053 C CE2 . PHE A 1 7 ? 10.026 8.107 -10.213 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 6 +ATOM 8054 C CZ . PHE A 1 7 ? 9.437 9.097 -10.970 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 6 +ATOM 8055 H H . PHE A 1 7 ? 8.141 6.727 -6.724 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 6 +ATOM 8056 H HA . PHE A 1 7 ? 5.734 7.640 -8.080 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 6 +ATOM 8057 H HB2 . PHE A 1 7 ? 7.667 5.396 -8.639 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 6 +ATOM 8058 H HB3 . PHE A 1 7 ? 6.308 5.764 -9.683 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 6 +ATOM 8059 H HD1 . PHE A 1 7 ? 6.217 8.230 -10.559 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 6 +ATOM 8060 H HD2 . PHE A 1 7 ? 9.712 6.392 -8.991 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 6 +ATOM 8061 H HE1 . PHE A 1 7 ? 7.599 9.911 -11.687 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 6 +ATOM 8062 H HE2 . PHE A 1 7 ? 11.100 8.067 -10.113 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 6 +ATOM 8063 H HZ . PHE A 1 7 ? 10.048 9.838 -11.463 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 6 +ATOM 8064 N N . LEU A 1 8 ? 4.248 5.559 -7.610 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 6 +ATOM 8065 C CA . LEU A 1 8 ? 3.320 4.625 -6.992 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 6 +ATOM 8066 C C . LEU A 1 8 ? 2.908 3.588 -8.039 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 6 +ATOM 8067 O O . LEU A 1 8 ? 2.584 3.951 -9.181 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 6 +ATOM 8068 C CB . LEU A 1 8 ? 2.082 5.416 -6.462 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 6 +ATOM 8069 C CG . LEU A 1 8 ? 1.157 4.758 -5.384 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 6 +ATOM 8070 C CD1 . LEU A 1 8 ? 0.469 3.500 -5.865 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 6 +ATOM 8071 C CD2 . LEU A 1 8 ? 1.916 4.480 -4.105 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 6 +ATOM 8072 H H . LEU A 1 8 ? 3.973 6.017 -8.433 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 6 +ATOM 8073 H HA . LEU A 1 8 ? 3.820 4.139 -6.167 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 6 +ATOM 8074 H HB2 . LEU A 1 8 ? 2.442 6.348 -6.052 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 6 +ATOM 8075 H HB3 . LEU A 1 8 ? 1.470 5.655 -7.318 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 6 +ATOM 8076 H HG . LEU A 1 8 ? 0.375 5.465 -5.147 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 6 +ATOM 8077 H HD11 . LEU A 1 8 ? -0.194 3.733 -6.685 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 6 +ATOM 8078 H HD12 . LEU A 1 8 ? -0.087 3.071 -5.044 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 6 +ATOM 8079 H HD13 . LEU A 1 8 ? 1.217 2.793 -6.191 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 6 +ATOM 8080 H HD21 . LEU A 1 8 ? 2.738 3.811 -4.311 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 6 +ATOM 8081 H HD22 . LEU A 1 8 ? 1.250 4.012 -3.395 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 6 +ATOM 8082 H HD23 . LEU A 1 8 ? 2.290 5.403 -3.688 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 6 +ATOM 8083 N N . ASP A 1 9 ? 2.949 2.324 -7.683 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 6 +ATOM 8084 C CA . ASP A 1 9 ? 2.501 1.256 -8.577 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 6 +ATOM 8085 C C . ASP A 1 9 ? 1.784 0.196 -7.757 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 6 +ATOM 8086 O O . ASP A 1 9 ? 2.002 0.099 -6.548 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 6 +ATOM 8087 C CB . ASP A 1 9 ? 3.678 0.641 -9.358 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 6 +ATOM 8088 C CG . ASP A 1 9 ? 3.222 -0.269 -10.491 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 6 +ATOM 8089 O OD1 . ASP A 1 9 ? 2.283 0.104 -11.217 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 6 +ATOM 8090 O OD2 . ASP A 1 9 ? 3.842 -1.317 -10.742 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 6 +ATOM 8091 H H . ASP A 1 9 ? 3.282 2.078 -6.788 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 6 +ATOM 8092 H HA . ASP A 1 9 ? 1.793 1.690 -9.268 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 6 +ATOM 8093 H HB2 . ASP A 1 9 ? 4.286 1.430 -9.775 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 6 +ATOM 8094 H HB3 . ASP A 1 9 ? 4.268 0.054 -8.670 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 6 +ATOM 8095 N N . PHE A 1 10 ? 0.933 -0.572 -8.383 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 6 +ATOM 8096 C CA . PHE A 1 10 ? 0.139 -1.566 -7.677 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 6 +ATOM 8097 C C . PHE A 1 10 ? 0.479 -2.964 -8.144 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 6 +ATOM 8098 O O . PHE A 1 10 ? 0.832 -3.173 -9.305 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 6 +ATOM 8099 C CB . PHE A 1 10 ? -1.365 -1.342 -7.908 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 6 +ATOM 8100 C CG . PHE A 1 10 ? -1.928 -0.036 -7.414 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 6 +ATOM 8101 C CD1 . PHE A 1 10 ? -1.936 1.086 -8.227 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 6 +ATOM 8102 C CD2 . PHE A 1 10 ? -2.473 0.060 -6.146 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 6 +ATOM 8103 C CE1 . PHE A 1 10 ? -2.475 2.277 -7.785 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 6 +ATOM 8104 C CE2 . PHE A 1 10 ? -3.010 1.250 -5.696 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 6 +ATOM 8105 C CZ . PHE A 1 10 ? -3.012 2.359 -6.516 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 6 +ATOM 8106 H H . PHE A 1 10 ? 0.858 -0.501 -9.358 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 6 +ATOM 8107 H HA . PHE A 1 10 ? 0.339 -1.476 -6.621 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 6 +ATOM 8108 H HB2 . PHE A 1 10 ? -1.559 -1.393 -8.969 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 6 +ATOM 8109 H HB3 . PHE A 1 10 ? -1.906 -2.143 -7.426 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 6 +ATOM 8110 H HD1 . PHE A 1 10 ? -1.513 1.020 -9.219 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 6 +ATOM 8111 H HD2 . PHE A 1 10 ? -2.473 -0.806 -5.504 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 6 +ATOM 8112 H HE1 . PHE A 1 10 ? -2.476 3.144 -8.429 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 6 +ATOM 8113 H HE2 . PHE A 1 10 ? -3.431 1.312 -4.702 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 6 +ATOM 8114 H HZ . PHE A 1 10 ? -3.435 3.291 -6.167 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 6 +ATOM 8115 N N . ASP A 1 11 ? 0.385 -3.904 -7.238 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 6 +ATOM 8116 C CA . ASP A 1 11 ? 0.534 -5.319 -7.555 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 6 +ATOM 8117 C C . ASP A 1 11 ? -0.717 -5.757 -8.296 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 6 +ATOM 8118 O O . ASP A 1 11 ? -1.781 -5.141 -8.126 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 6 +ATOM 8119 C CB . ASP A 1 11 ? 0.670 -6.141 -6.263 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 6 +ATOM 8120 C CG . ASP A 1 11 ? 1.079 -7.578 -6.503 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 6 +ATOM 8121 O OD1 . ASP A 1 11 ? 0.215 -8.431 -6.819 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 6 +ATOM 8122 O OD2 . ASP A 1 11 ? 2.272 -7.885 -6.355 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 6 +ATOM 8123 H H . ASP A 1 11 ? 0.236 -3.656 -6.300 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 6 +ATOM 8124 H HA . ASP A 1 11 ? 1.406 -5.457 -8.177 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 6 +ATOM 8125 H HB2 . ASP A 1 11 ? 1.409 -5.679 -5.627 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 6 +ATOM 8126 H HB3 . ASP A 1 11 ? -0.281 -6.137 -5.751 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 6 +ATOM 8127 N N . GLU A 1 12 ? -0.617 -6.788 -9.101 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 6 +ATOM 8128 C CA . GLU A 1 12 ? -1.750 -7.259 -9.871 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 6 +ATOM 8129 C C . GLU A 1 12 ? -2.894 -7.726 -8.939 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 6 +ATOM 8130 O O . GLU A 1 12 ? -4.075 -7.573 -9.267 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 6 +ATOM 8131 C CB . GLU A 1 12 ? -1.306 -8.344 -10.878 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 6 +ATOM 8132 C CG . GLU A 1 12 ? -0.929 -9.684 -10.288 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 6 +ATOM 8133 C CD . GLU A 1 12 ? -2.031 -10.682 -10.450 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 6 +ATOM 8134 O OE1 . GLU A 1 12 ? -2.974 -10.688 -9.641 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 6 +ATOM 8135 O OE2 . GLU A 1 12 ? -2.002 -11.457 -11.399 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 6 +ATOM 8136 H H . GLU A 1 12 ? 0.245 -7.249 -9.168 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 6 +ATOM 8137 H HA . GLU A 1 12 ? -2.117 -6.403 -10.418 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 6 +ATOM 8138 H HB2 . GLU A 1 12 ? -2.116 -8.515 -11.570 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 6 +ATOM 8139 H HB3 . GLU A 1 12 ? -0.461 -7.964 -11.431 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 6 +ATOM 8140 H HG2 . GLU A 1 12 ? -0.031 -10.066 -10.749 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 6 +ATOM 8141 H HG3 . GLU A 1 12 ? -0.778 -9.547 -9.228 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 6 +ATOM 8142 N N . ARG A 1 13 ? -2.533 -8.264 -7.770 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 6 +ATOM 8143 C CA . ARG A 1 13 ? -3.506 -8.657 -6.754 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 6 +ATOM 8144 C C . ARG A 1 13 ? -4.183 -7.436 -6.207 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 6 +ATOM 8145 O O . ARG A 1 13 ? -5.415 -7.368 -6.108 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 6 +ATOM 8146 C CB . ARG A 1 13 ? -2.798 -9.364 -5.619 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 6 +ATOM 8147 C CG . ARG A 1 13 ? -2.405 -10.787 -5.896 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 6 +ATOM 8148 C CD . ARG A 1 13 ? -3.519 -11.750 -5.531 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 6 +ATOM 8149 N NE . ARG A 1 13 ? -4.727 -11.642 -6.356 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 6 +ATOM 8150 C CZ . ARG A 1 13 ? -5.979 -11.544 -5.866 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 6 +ATOM 8151 N NH1 . ARG A 1 13 ? -6.189 -11.295 -4.571 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 6 +ATOM 8152 N NH2 . ARG A 1 13 ? -7.009 -11.693 -6.673 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 6 +ATOM 8153 H H . ARG A 1 13 ? -1.576 -8.404 -7.581 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 6 +ATOM 8154 H HA . ARG A 1 13 ? -4.232 -9.327 -7.192 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 6 +ATOM 8155 H HB2 . ARG A 1 13 ? -1.904 -8.811 -5.376 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 6 +ATOM 8156 H HB3 . ARG A 1 13 ? -3.453 -9.355 -4.761 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 6 +ATOM 8157 H HG2 . ARG A 1 13 ? -2.168 -10.897 -6.944 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 6 +ATOM 8158 H HG3 . ARG A 1 13 ? -1.537 -11.024 -5.299 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 6 +ATOM 8159 H HD2 . ARG A 1 13 ? -3.133 -12.752 -5.615 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 6 +ATOM 8160 H HD3 . ARG A 1 13 ? -3.775 -11.544 -4.503 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 6 +ATOM 8161 H HE . ARG A 1 13 ? -4.559 -11.755 -7.321 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 6 +ATOM 8162 H HH11 . ARG A 1 13 ? -5.445 -11.171 -3.907 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 6 +ATOM 8163 H HH12 . ARG A 1 13 ? -7.107 -11.234 -4.174 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 6 +ATOM 8164 H HH21 . ARG A 1 13 ? -6.889 -11.889 -7.652 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 6 +ATOM 8165 H HH22 . ARG A 1 13 ? -7.961 -11.635 -6.361 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 6 +ATOM 8166 N N . ALA A 1 14 ? -3.360 -6.456 -5.899 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 6 +ATOM 8167 C CA . ALA A 1 14 ? -3.803 -5.199 -5.343 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 6 +ATOM 8168 C C . ALA A 1 14 ? -4.773 -4.497 -6.276 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 6 +ATOM 8169 O O . ALA A 1 14 ? -5.723 -3.916 -5.820 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 6 +ATOM 8170 C CB . ALA A 1 14 ? -2.617 -4.302 -5.018 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 6 +ATOM 8171 H H . ALA A 1 14 ? -2.407 -6.614 -6.057 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 6 +ATOM 8172 H HA . ALA A 1 14 ? -4.319 -5.422 -4.422 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 6 +ATOM 8173 H HB1 . ALA A 1 14 ? -1.946 -4.821 -4.348 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 6 +ATOM 8174 H HB2 . ALA A 1 14 ? -2.966 -3.395 -4.550 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 6 +ATOM 8175 H HB3 . ALA A 1 14 ? -2.093 -4.057 -5.930 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 6 +ATOM 8176 N N . LEU A 1 15 ? -4.550 -4.611 -7.585 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 6 +ATOM 8177 C CA . LEU A 1 15 ? -5.423 -3.995 -8.576 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 6 +ATOM 8178 C C . LEU A 1 15 ? -6.811 -4.596 -8.536 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 6 +ATOM 8179 O O . LEU A 1 15 ? -7.809 -3.887 -8.607 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 6 +ATOM 8180 C CB . LEU A 1 15 ? -4.839 -4.130 -9.977 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 6 +ATOM 8181 C CG . LEU A 1 15 ? -3.650 -3.230 -10.310 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 6 +ATOM 8182 C CD1 . LEU A 1 15 ? -3.103 -3.576 -11.685 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 6 +ATOM 8183 C CD2 . LEU A 1 15 ? -4.080 -1.767 -10.270 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 6 +ATOM 8184 H H . LEU A 1 15 ? -3.775 -5.126 -7.900 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 6 +ATOM 8185 H HA . LEU A 1 15 ? -5.502 -2.947 -8.333 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 6 +ATOM 8186 H HB2 . LEU A 1 15 ? -4.528 -5.157 -10.105 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 6 +ATOM 8187 H HB3 . LEU A 1 15 ? -5.628 -3.929 -10.682 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 6 +ATOM 8188 H HG . LEU A 1 15 ? -2.868 -3.375 -9.580 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 6 +ATOM 8189 H HD11 . LEU A 1 15 ? -3.876 -3.428 -12.425 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 6 +ATOM 8190 H HD12 . LEU A 1 15 ? -2.784 -4.607 -11.698 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 6 +ATOM 8191 H HD13 . LEU A 1 15 ? -2.263 -2.935 -11.912 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 6 +ATOM 8192 H HD21 . LEU A 1 15 ? -3.242 -1.139 -10.536 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 6 +ATOM 8193 H HD22 . LEU A 1 15 ? -4.419 -1.505 -9.279 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 6 +ATOM 8194 H HD23 . LEU A 1 15 ? -4.885 -1.604 -10.972 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 6 +ATOM 8195 N N . LYS A 1 16 ? -6.862 -5.889 -8.379 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 6 +ATOM 8196 C CA . LYS A 1 16 ? -8.111 -6.616 -8.331 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 6 +ATOM 8197 C C . LYS A 1 16 ? -8.893 -6.233 -7.085 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 6 +ATOM 8198 O O . LYS A 1 16 ? -10.103 -6.008 -7.137 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 6 +ATOM 8199 C CB . LYS A 1 16 ? -7.815 -8.105 -8.360 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 6 +ATOM 8200 C CG . LYS A 1 16 ? -7.134 -8.536 -9.644 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 6 +ATOM 8201 C CD . LYS A 1 16 ? -6.573 -9.926 -9.535 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 6 +ATOM 8202 C CE . LYS A 1 16 ? -5.954 -10.381 -10.851 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 6 +ATOM 8203 N NZ . LYS A 1 16 ? -4.844 -9.519 -11.264 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 6 +ATOM 8204 H H . LYS A 1 16 ? -6.020 -6.381 -8.281 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 6 +ATOM 8205 H HA . LYS A 1 16 ? -8.686 -6.356 -9.207 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 6 +ATOM 8206 H HB2 . LYS A 1 16 ? -7.170 -8.350 -7.528 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 6 +ATOM 8207 H HB3 . LYS A 1 16 ? -8.739 -8.653 -8.265 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 6 +ATOM 8208 H HG2 . LYS A 1 16 ? -7.854 -8.516 -10.450 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 6 +ATOM 8209 H HG3 . LYS A 1 16 ? -6.332 -7.845 -9.859 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 6 +ATOM 8210 H HD2 . LYS A 1 16 ? -5.799 -9.885 -8.782 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 6 +ATOM 8211 H HD3 . LYS A 1 16 ? -7.351 -10.608 -9.232 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 6 +ATOM 8212 H HE2 . LYS A 1 16 ? -5.537 -11.365 -10.698 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 6 +ATOM 8213 H HE3 . LYS A 1 16 ? -6.704 -10.405 -11.626 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 6 +ATOM 8214 H HZ1 . LYS A 1 16 ? -5.114 -8.517 -11.326 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 6 +ATOM 8215 H HZ2 . LYS A 1 16 ? -4.474 -9.815 -12.191 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 6 +ATOM 8216 H HZ3 . LYS A 1 16 ? -4.079 -9.629 -10.564 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 6 +ATOM 8217 N N . GLU A 1 17 ? -8.200 -6.146 -5.974 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 6 +ATOM 8218 C CA . GLU A 1 17 ? -8.804 -5.739 -4.723 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 6 +ATOM 8219 C C . GLU A 1 17 ? -9.194 -4.245 -4.749 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 6 +ATOM 8220 O O . GLU A 1 17 ? -10.226 -3.860 -4.233 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 6 +ATOM 8221 C CB . GLU A 1 17 ? -7.870 -6.071 -3.572 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 6 +ATOM 8222 C CG . GLU A 1 17 ? -7.618 -7.571 -3.432 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 6 +ATOM 8223 C CD . GLU A 1 17 ? -8.848 -8.337 -2.973 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 6 +ATOM 8224 O OE1 . GLU A 1 17 ? -9.719 -8.657 -3.799 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 6 +ATOM 8225 O OE2 . GLU A 1 17 ? -8.982 -8.605 -1.759 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 6 +ATOM 8226 H H . GLU A 1 17 ? -7.246 -6.386 -5.980 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 6 +ATOM 8227 H HA . GLU A 1 17 ? -9.711 -6.315 -4.615 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 6 +ATOM 8228 H HB2 . GLU A 1 17 ? -6.925 -5.576 -3.739 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 6 +ATOM 8229 H HB3 . GLU A 1 17 ? -8.302 -5.714 -2.650 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 6 +ATOM 8230 H HG2 . GLU A 1 17 ? -7.332 -7.947 -4.403 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 6 +ATOM 8231 H HG3 . GLU A 1 17 ? -6.806 -7.734 -2.741 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 6 +ATOM 8232 N N . TRP A 1 18 ? -8.367 -3.438 -5.381 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 6 +ATOM 8233 C CA . TRP A 1 18 ? -8.592 -1.990 -5.570 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 6 +ATOM 8234 C C . TRP A 1 18 ? -9.870 -1.738 -6.378 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 6 +ATOM 8235 O O . TRP A 1 18 ? -10.673 -0.842 -6.069 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 6 +ATOM 8236 C CB . TRP A 1 18 ? -7.362 -1.422 -6.309 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 6 +ATOM 8237 C CG . TRP A 1 18 ? -7.436 0.001 -6.749 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 6 +ATOM 8238 C CD1 . TRP A 1 18 ? -7.820 0.456 -7.977 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 6 +ATOM 8239 C CD2 . TRP A 1 18 ? -7.070 1.147 -5.989 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 6 +ATOM 8240 N NE1 . TRP A 1 18 ? -7.743 1.820 -8.019 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 6 +ATOM 8241 C CE2 . TRP A 1 18 ? -7.276 2.273 -6.810 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 6 +ATOM 8242 C CE3 . TRP A 1 18 ? -6.593 1.333 -4.690 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 6 +ATOM 8243 C CZ2 . TRP A 1 18 ? -7.020 3.565 -6.370 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 6 +ATOM 8244 C CZ3 . TRP A 1 18 ? -6.337 2.612 -4.258 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 6 +ATOM 8245 C CH2 . TRP A 1 18 ? -6.548 3.709 -5.092 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 6 +ATOM 8246 H H . TRP A 1 18 ? -7.527 -3.816 -5.728 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 6 +ATOM 8247 H HA . TRP A 1 18 ? -8.674 -1.514 -4.603 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 6 +ATOM 8248 H HB2 . TRP A 1 18 ? -6.502 -1.507 -5.663 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 6 +ATOM 8249 H HB3 . TRP A 1 18 ? -7.188 -2.034 -7.182 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 6 +ATOM 8250 H HD1 . TRP A 1 18 ? -8.146 -0.184 -8.784 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 6 +ATOM 8251 H HE1 . TRP A 1 18 ? -7.981 2.366 -8.802 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 6 +ATOM 8252 H HE3 . TRP A 1 18 ? -6.424 0.493 -4.032 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 6 +ATOM 8253 H HZ2 . TRP A 1 18 ? -7.179 4.428 -7.000 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 6 +ATOM 8254 H HZ3 . TRP A 1 18 ? -5.963 2.777 -3.258 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 6 +ATOM 8255 H HH2 . TRP A 1 18 ? -6.323 4.687 -4.699 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 6 +ATOM 8256 N N . ARG A 1 19 ? -10.051 -2.525 -7.408 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 6 +ATOM 8257 C CA . ARG A 1 19 ? -11.220 -2.428 -8.257 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 6 +ATOM 8258 C C . ARG A 1 19 ? -12.449 -3.009 -7.561 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 6 +ATOM 8259 O O . ARG A 1 19 ? -13.597 -2.649 -7.876 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 6 +ATOM 8260 C CB . ARG A 1 19 ? -10.948 -3.090 -9.598 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 6 +ATOM 8261 C CG . ARG A 1 19 ? -9.889 -2.357 -10.403 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 6 +ATOM 8262 C CD . ARG A 1 19 ? -9.540 -3.081 -11.681 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 6 +ATOM 8263 N NE . ARG A 1 19 ? -8.499 -2.364 -12.435 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 6 +ATOM 8264 C CZ . ARG A 1 19 ? -7.651 -2.927 -13.304 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 6 +ATOM 8265 N NH1 . ARG A 1 19 ? -7.719 -4.232 -13.551 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 6 +ATOM 8266 N NH2 . ARG A 1 19 ? -6.731 -2.178 -13.918 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 6 +ATOM 8267 H H . ARG A 1 19 ? -9.354 -3.189 -7.616 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 6 +ATOM 8268 H HA . ARG A 1 19 ? -11.402 -1.376 -8.418 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 6 +ATOM 8269 H HB2 . ARG A 1 19 ? -10.604 -4.098 -9.418 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 6 +ATOM 8270 H HB3 . ARG A 1 19 ? -11.860 -3.123 -10.174 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 6 +ATOM 8271 H HG2 . ARG A 1 19 ? -10.252 -1.371 -10.652 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 6 +ATOM 8272 H HG3 . ARG A 1 19 ? -8.999 -2.265 -9.798 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 6 +ATOM 8273 H HD2 . ARG A 1 19 ? -9.179 -4.068 -11.433 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 6 +ATOM 8274 H HD3 . ARG A 1 19 ? -10.427 -3.162 -12.293 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 6 +ATOM 8275 H HE . ARG A 1 19 ? -8.454 -1.394 -12.250 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 6 +ATOM 8276 H HH11 . ARG A 1 19 ? -8.388 -4.830 -13.103 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 6 +ATOM 8277 H HH12 . ARG A 1 19 ? -7.110 -4.694 -14.201 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 6 +ATOM 8278 H HH21 . ARG A 1 19 ? -6.668 -1.192 -13.740 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 6 +ATOM 8279 H HH22 . ARG A 1 19 ? -6.055 -2.554 -14.560 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 6 +ATOM 8280 N N . LYS A 1 20 ? -12.201 -3.879 -6.610 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 6 +ATOM 8281 C CA . LYS A 1 20 ? -13.236 -4.461 -5.779 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 6 +ATOM 8282 C C . LYS A 1 20 ? -13.709 -3.416 -4.759 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 6 +ATOM 8283 O O . LYS A 1 20 ? -14.909 -3.296 -4.478 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 6 +ATOM 8284 C CB . LYS A 1 20 ? -12.671 -5.670 -5.031 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 6 +ATOM 8285 C CG . LYS A 1 20 ? -13.674 -6.401 -4.163 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 6 +ATOM 8286 C CD . LYS A 1 20 ? -13.003 -7.445 -3.281 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 6 +ATOM 8287 C CE . LYS A 1 20 ? -12.116 -6.812 -2.214 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 6 +ATOM 8288 N NZ . LYS A 1 20 ? -11.537 -7.823 -1.305 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 6 +ATOM 8289 H H . LYS A 1 20 ? -11.272 -4.164 -6.473 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 6 +ATOM 8290 H HA . LYS A 1 20 ? -14.060 -4.776 -6.402 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 6 +ATOM 8291 H HB2 . LYS A 1 20 ? -12.270 -6.372 -5.749 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 6 +ATOM 8292 H HB3 . LYS A 1 20 ? -11.864 -5.321 -4.403 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 6 +ATOM 8293 H HG2 . LYS A 1 20 ? -14.179 -5.684 -3.533 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 6 +ATOM 8294 H HG3 . LYS A 1 20 ? -14.395 -6.888 -4.801 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 6 +ATOM 8295 H HD2 . LYS A 1 20 ? -13.770 -8.024 -2.786 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 6 +ATOM 8296 H HD3 . LYS A 1 20 ? -12.401 -8.094 -3.900 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 6 +ATOM 8297 H HE2 . LYS A 1 20 ? -11.307 -6.285 -2.696 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 6 +ATOM 8298 H HE3 . LYS A 1 20 ? -12.704 -6.113 -1.639 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 6 +ATOM 8299 H HZ1 . LYS A 1 20 ? -10.784 -8.373 -1.779 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 6 +ATOM 8300 H HZ2 . LYS A 1 20 ? -12.282 -8.481 -0.998 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 6 +ATOM 8301 H HZ3 . LYS A 1 20 ? -11.136 -7.360 -0.464 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 6 +ATOM 8302 N N . LEU A 1 21 ? -12.746 -2.672 -4.228 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 6 +ATOM 8303 C CA . LEU A 1 21 ? -12.961 -1.630 -3.228 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 6 +ATOM 8304 C C . LEU A 1 21 ? -13.891 -0.549 -3.706 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 6 +ATOM 8305 O O . LEU A 1 21 ? -13.923 -0.213 -4.899 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 6 +ATOM 8306 C CB . LEU A 1 21 ? -11.637 -0.992 -2.821 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 6 +ATOM 8307 C CG . LEU A 1 21 ? -11.116 -1.328 -1.431 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 6 +ATOM 8308 C CD1 . LEU A 1 21 ? -10.902 -2.818 -1.251 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 6 +ATOM 8309 C CD2 . LEU A 1 21 ? -9.846 -0.563 -1.160 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 6 +ATOM 8310 H H . LEU A 1 21 ? -11.822 -2.839 -4.520 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 6 +ATOM 8311 H HA . LEU A 1 21 ? -13.386 -2.092 -2.350 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 6 +ATOM 8312 H HB2 . LEU A 1 21 ? -10.888 -1.286 -3.540 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 6 +ATOM 8313 H HB3 . LEU A 1 21 ? -11.760 0.080 -2.881 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 6 +ATOM 8314 H HG . LEU A 1 21 ? -11.850 -1.006 -0.709 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 6 +ATOM 8315 H HD11 . LEU A 1 21 ? -11.838 -3.331 -1.413 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 6 +ATOM 8316 H HD12 . LEU A 1 21 ? -10.559 -3.009 -0.245 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 6 +ATOM 8317 H HD13 . LEU A 1 21 ? -10.168 -3.169 -1.962 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 6 +ATOM 8318 H HD21 . LEU A 1 21 ? -9.483 -0.802 -0.172 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 6 +ATOM 8319 H HD22 . LEU A 1 21 ? -10.065 0.494 -1.216 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 6 +ATOM 8320 H HD23 . LEU A 1 21 ? -9.100 -0.818 -1.897 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 6 +ATOM 8321 N N . GLY A 1 22 ? -14.636 -0.009 -2.777 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 6 +ATOM 8322 C CA . GLY A 1 22 ? -15.556 1.048 -3.066 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 6 +ATOM 8323 C C . GLY A 1 22 ? -14.826 2.310 -3.380 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 6 +ATOM 8324 O O . GLY A 1 22 ? -13.751 2.560 -2.812 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 6 +ATOM 8325 H H . GLY A 1 22 ? -14.540 -0.319 -1.851 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 6 +ATOM 8326 H HA2 . GLY A 1 22 ? -16.162 0.769 -3.914 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 6 +ATOM 8327 H HA3 . GLY A 1 22 ? -16.190 1.212 -2.208 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 6 +ATOM 8328 N N . SER A 1 23 ? -15.392 3.093 -4.264 1.00 0.00 ? ? ? ? ? ? 20 SER A N 6 +ATOM 8329 C CA . SER A 1 23 ? -14.802 4.312 -4.758 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 6 +ATOM 8330 C C . SER A 1 23 ? -14.377 5.254 -3.621 1.00 0.00 ? ? ? ? ? ? 20 SER A C 6 +ATOM 8331 O O . SER A 1 23 ? -13.254 5.729 -3.607 1.00 0.00 ? ? ? ? ? ? 20 SER A O 6 +ATOM 8332 C CB . SER A 1 23 ? -15.802 4.978 -5.682 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 6 +ATOM 8333 O OG . SER A 1 23 ? -16.324 4.014 -6.595 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 6 +ATOM 8334 H H . SER A 1 23 ? -16.269 2.857 -4.638 1.00 0.00 ? ? ? ? ? ? 20 SER A H 6 +ATOM 8335 H HA . SER A 1 23 ? -13.931 4.049 -5.338 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 6 +ATOM 8336 H HB2 . SER A 1 23 ? -16.609 5.400 -5.103 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 6 +ATOM 8337 H HB3 . SER A 1 23 ? -15.312 5.758 -6.245 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 6 +ATOM 8338 H HG . SER A 1 23 ? -16.483 4.467 -7.430 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 6 +ATOM 8339 N N . THR A 1 24 ? -15.239 5.443 -2.643 1.00 0.00 ? ? ? ? ? ? 21 THR A N 6 +ATOM 8340 C CA . THR A 1 24 ? -14.957 6.344 -1.537 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 6 +ATOM 8341 C C . THR A 1 24 ? -13.820 5.785 -0.645 1.00 0.00 ? ? ? ? ? ? 21 THR A C 6 +ATOM 8342 O O . THR A 1 24 ? -12.967 6.541 -0.147 1.00 0.00 ? ? ? ? ? ? 21 THR A O 6 +ATOM 8343 C CB . THR A 1 24 ? -16.225 6.585 -0.692 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 6 +ATOM 8344 O OG1 . THR A 1 24 ? -17.320 6.928 -1.560 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 6 +ATOM 8345 C CG2 . THR A 1 24 ? -16.009 7.721 0.294 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 6 +ATOM 8346 H H . THR A 1 24 ? -16.087 4.951 -2.662 1.00 0.00 ? ? ? ? ? ? 21 THR A H 6 +ATOM 8347 H HA . THR A 1 24 ? -14.632 7.285 -1.956 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 6 +ATOM 8348 H HB . THR A 1 24 ? -16.458 5.683 -0.149 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 6 +ATOM 8349 H HG1 . THR A 1 24 ? -16.947 7.449 -2.282 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 6 +ATOM 8350 H HG21 . THR A 1 24 ? -15.755 8.621 -0.246 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 6 +ATOM 8351 H HG22 . THR A 1 24 ? -15.204 7.466 0.968 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 6 +ATOM 8352 H HG23 . THR A 1 24 ? -16.915 7.885 0.857 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 6 +ATOM 8353 N N . VAL A 1 25 ? -13.794 4.468 -0.470 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 6 +ATOM 8354 C CA . VAL A 1 25 ? -12.766 3.822 0.328 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 6 +ATOM 8355 C C . VAL A 1 25 ? -11.417 3.911 -0.376 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 6 +ATOM 8356 O O . VAL A 1 25 ? -10.414 4.315 0.220 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 6 +ATOM 8357 C CB . VAL A 1 25 ? -13.135 2.340 0.639 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 6 +ATOM 8358 C CG1 . VAL A 1 25 ? -11.949 1.578 1.212 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 6 +ATOM 8359 C CG2 . VAL A 1 25 ? -14.296 2.289 1.623 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 6 +ATOM 8360 H H . VAL A 1 25 ? -14.477 3.905 -0.900 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 6 +ATOM 8361 H HA . VAL A 1 25 ? -12.697 4.367 1.259 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 6 +ATOM 8362 H HB . VAL A 1 25 ? -13.448 1.860 -0.276 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 6 +ATOM 8363 H HG11 . VAL A 1 25 ? -12.252 0.573 1.466 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 6 +ATOM 8364 H HG12 . VAL A 1 25 ? -11.582 2.084 2.090 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 6 +ATOM 8365 H HG13 . VAL A 1 25 ? -11.164 1.535 0.471 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 6 +ATOM 8366 H HG21 . VAL A 1 25 ? -14.010 2.780 2.541 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 6 +ATOM 8367 H HG22 . VAL A 1 25 ? -14.543 1.261 1.841 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 6 +ATOM 8368 H HG23 . VAL A 1 25 ? -15.156 2.788 1.204 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 6 +ATOM 8369 N N . ARG A 1 26 ? -11.410 3.592 -1.650 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 6 +ATOM 8370 C CA . ARG A 1 26 ? -10.197 3.662 -2.423 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 6 +ATOM 8371 C C . ARG A 1 26 ? -9.713 5.091 -2.603 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 6 +ATOM 8372 O O . ARG A 1 26 ? -8.522 5.313 -2.678 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 6 +ATOM 8373 C CB . ARG A 1 26 ? -10.253 2.908 -3.736 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 6 +ATOM 8374 C CG . ARG A 1 26 ? -11.360 3.315 -4.655 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 6 +ATOM 8375 C CD . ARG A 1 26 ? -11.128 2.723 -6.014 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 6 +ATOM 8376 N NE . ARG A 1 26 ? -12.200 3.035 -6.951 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 6 +ATOM 8377 C CZ . ARG A 1 26 ? -12.812 2.150 -7.741 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 6 +ATOM 8378 N NH1 . ARG A 1 26 ? -12.528 0.840 -7.655 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 6 +ATOM 8379 N NH2 . ARG A 1 26 ? -13.730 2.569 -8.602 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 6 +ATOM 8380 H H . ARG A 1 26 ? -12.251 3.300 -2.069 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 6 +ATOM 8381 H HA . ARG A 1 26 ? -9.457 3.190 -1.792 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 6 +ATOM 8382 H HB2 . ARG A 1 26 ? -9.320 3.060 -4.259 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 6 +ATOM 8383 H HB3 . ARG A 1 26 ? -10.360 1.853 -3.525 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 6 +ATOM 8384 H HG2 . ARG A 1 26 ? -12.268 2.895 -4.245 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 6 +ATOM 8385 H HG3 . ARG A 1 26 ? -11.463 4.391 -4.691 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 6 +ATOM 8386 H HD2 . ARG A 1 26 ? -10.200 3.143 -6.375 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 6 +ATOM 8387 H HD3 . ARG A 1 26 ? -11.025 1.652 -5.918 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 6 +ATOM 8388 H HE . ARG A 1 26 ? -12.448 3.989 -7.007 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 6 +ATOM 8389 H HH11 . ARG A 1 26 ? -11.856 0.464 -7.008 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 6 +ATOM 8390 H HH12 . ARG A 1 26 ? -12.998 0.186 -8.253 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 6 +ATOM 8391 H HH21 . ARG A 1 26 ? -13.968 3.541 -8.669 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 6 +ATOM 8392 H HH22 . ARG A 1 26 ? -14.218 1.946 -9.217 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 6 +ATOM 8393 N N . GLU A 1 27 ? -10.641 6.053 -2.707 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 6 +ATOM 8394 C CA . GLU A 1 27 ? -10.266 7.467 -2.785 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 6 +ATOM 8395 C C . GLU A 1 27 ? -9.426 7.857 -1.610 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 6 +ATOM 8396 O O . GLU A 1 27 ? -8.378 8.454 -1.780 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 6 +ATOM 8397 C CB . GLU A 1 27 ? -11.461 8.384 -2.768 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 6 +ATOM 8398 C CG . GLU A 1 27 ? -12.157 8.601 -4.071 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 6 +ATOM 8399 C CD . GLU A 1 27 ? -13.120 9.732 -3.932 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 6 +ATOM 8400 O OE1 . GLU A 1 27 ? -14.227 9.526 -3.401 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 6 +ATOM 8401 O OE2 . GLU A 1 27 ? -12.762 10.878 -4.271 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 6 +ATOM 8402 H H . GLU A 1 27 ? -11.593 5.809 -2.759 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 6 +ATOM 8403 H HA . GLU A 1 27 ? -9.714 7.632 -3.697 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 6 +ATOM 8404 H HB2 . GLU A 1 27 ? -12.184 7.937 -2.101 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 6 +ATOM 8405 H HB3 . GLU A 1 27 ? -11.181 9.337 -2.344 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 6 +ATOM 8406 H HG2 . GLU A 1 27 ? -11.428 8.840 -4.832 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 6 +ATOM 8407 H HG3 . GLU A 1 27 ? -12.704 7.710 -4.345 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 6 +ATOM 8408 N N . GLN A 1 28 ? -9.886 7.496 -0.428 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 6 +ATOM 8409 C CA . GLN A 1 28 ? -9.179 7.815 0.807 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 6 +ATOM 8410 C C . GLN A 1 28 ? -7.775 7.244 0.779 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 6 +ATOM 8411 O O . GLN A 1 28 ? -6.812 7.916 1.140 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 6 +ATOM 8412 C CB . GLN A 1 28 ? -9.949 7.285 1.996 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 6 +ATOM 8413 C CG . GLN A 1 28 ? -11.158 8.105 2.390 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 6 +ATOM 8414 C CD . GLN A 1 28 ? -12.087 7.345 3.309 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 6 +ATOM 8415 O OE1 . GLN A 1 28 ? -11.938 7.350 4.545 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 6 +ATOM 8416 N NE2 . GLN A 1 28 ? -13.057 6.698 2.721 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 6 +ATOM 8417 H H . GLN A 1 28 ? -10.722 6.977 -0.402 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 6 +ATOM 8418 H HA . GLN A 1 28 ? -9.117 8.891 0.880 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 6 +ATOM 8419 H HB2 . GLN A 1 28 ? -10.307 6.303 1.728 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 6 +ATOM 8420 H HB3 . GLN A 1 28 ? -9.288 7.210 2.846 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 6 +ATOM 8421 H HG2 . GLN A 1 28 ? -10.827 8.999 2.899 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 6 +ATOM 8422 H HG3 . GLN A 1 28 ? -11.700 8.379 1.497 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 6 +ATOM 8423 H HE21 . GLN A 1 28 ? -13.092 6.758 1.737 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 6 +ATOM 8424 H HE22 . GLN A 1 28 ? -13.708 6.224 3.276 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 6 +ATOM 8425 N N . LEU A 1 29 ? -7.667 6.030 0.292 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 6 +ATOM 8426 C CA . LEU A 1 29 ? -6.390 5.367 0.157 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 6 +ATOM 8427 C C . LEU A 1 29 ? -5.517 6.060 -0.881 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 6 +ATOM 8428 O O . LEU A 1 29 ? -4.349 6.305 -0.633 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 6 +ATOM 8429 C CB . LEU A 1 29 ? -6.589 3.905 -0.198 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 6 +ATOM 8430 C CG . LEU A 1 29 ? -7.301 3.057 0.865 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 6 +ATOM 8431 C CD1 . LEU A 1 29 ? -7.518 1.657 0.362 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 6 +ATOM 8432 C CD2 . LEU A 1 29 ? -6.501 3.029 2.167 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 6 +ATOM 8433 H H . LEU A 1 29 ? -8.484 5.560 0.022 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 6 +ATOM 8434 H HA . LEU A 1 29 ? -5.888 5.425 1.112 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 6 +ATOM 8435 H HB2 . LEU A 1 29 ? -7.166 3.889 -1.112 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 6 +ATOM 8436 H HB3 . LEU A 1 29 ? -5.622 3.469 -0.399 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 6 +ATOM 8437 H HG . LEU A 1 29 ? -8.271 3.484 1.074 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 6 +ATOM 8438 H HD11 . LEU A 1 29 ? -8.026 1.074 1.116 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 6 +ATOM 8439 H HD12 . LEU A 1 29 ? -6.564 1.203 0.140 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 6 +ATOM 8440 H HD13 . LEU A 1 29 ? -8.118 1.684 -0.536 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 6 +ATOM 8441 H HD21 . LEU A 1 29 ? -7.003 2.394 2.881 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 6 +ATOM 8442 H HD22 . LEU A 1 29 ? -6.429 4.028 2.572 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 6 +ATOM 8443 H HD23 . LEU A 1 29 ? -5.509 2.646 1.975 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 6 +ATOM 8444 N N . LYS A 1 30 ? -6.101 6.398 -2.029 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 6 +ATOM 8445 C CA . LYS A 1 30 ? -5.381 7.089 -3.102 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 6 +ATOM 8446 C C . LYS A 1 30 ? -4.843 8.431 -2.608 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 6 +ATOM 8447 O O . LYS A 1 30 ? -3.690 8.791 -2.864 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 6 +ATOM 8448 C CB . LYS A 1 30 ? -6.313 7.368 -4.274 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 6 +ATOM 8449 C CG . LYS A 1 30 ? -5.594 7.981 -5.463 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 6 +ATOM 8450 C CD . LYS A 1 30 ? -6.545 8.440 -6.552 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 6 +ATOM 8451 C CE . LYS A 1 30 ? -7.384 9.623 -6.095 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 6 +ATOM 8452 N NZ . LYS A 1 30 ? -8.238 10.140 -7.171 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 6 +ATOM 8453 H H . LYS A 1 30 ? -7.042 6.146 -2.172 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 6 +ATOM 8454 H HA . LYS A 1 30 ? -4.566 6.467 -3.441 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 6 +ATOM 8455 H HB2 . LYS A 1 30 ? -6.825 6.469 -4.578 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 6 +ATOM 8456 H HB3 . LYS A 1 30 ? -7.055 8.068 -3.925 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 6 +ATOM 8457 H HG2 . LYS A 1 30 ? -5.051 8.838 -5.093 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 6 +ATOM 8458 H HG3 . LYS A 1 30 ? -4.900 7.257 -5.861 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 6 +ATOM 8459 H HD2 . LYS A 1 30 ? -5.966 8.736 -7.415 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 6 +ATOM 8460 H HD3 . LYS A 1 30 ? -7.198 7.624 -6.818 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 6 +ATOM 8461 H HE2 . LYS A 1 30 ? -8.005 9.332 -5.261 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 6 +ATOM 8462 H HE3 . LYS A 1 30 ? -6.701 10.399 -5.786 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 6 +ATOM 8463 H HZ1 . LYS A 1 30 ? -7.649 10.494 -7.952 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 6 +ATOM 8464 H HZ2 . LYS A 1 30 ? -8.856 10.905 -6.836 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 6 +ATOM 8465 H HZ3 . LYS A 1 30 ? -8.844 9.389 -7.554 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 6 +ATOM 8466 N N . LYS A 1 31 ? -5.685 9.147 -1.890 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 6 +ATOM 8467 C CA . LYS A 1 31 ? -5.339 10.437 -1.323 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 6 +ATOM 8468 C C . LYS A 1 31 ? -4.211 10.283 -0.321 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 6 +ATOM 8469 O O . LYS A 1 31 ? -3.332 11.137 -0.222 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 6 +ATOM 8470 C CB . LYS A 1 31 ? -6.577 11.103 -0.705 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 6 +ATOM 8471 C CG . LYS A 1 31 ? -7.641 11.415 -1.746 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 6 +ATOM 8472 C CD . LYS A 1 31 ? -8.950 11.868 -1.129 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 6 +ATOM 8473 C CE . LYS A 1 31 ? -10.010 12.024 -2.210 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 6 +ATOM 8474 N NZ . LYS A 1 31 ? -11.335 12.373 -1.665 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 6 +ATOM 8475 H H . LYS A 1 31 ? -6.591 8.784 -1.765 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 6 +ATOM 8476 H HA . LYS A 1 31 ? -4.987 11.046 -2.142 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 6 +ATOM 8477 H HB2 . LYS A 1 31 ? -7.004 10.441 0.032 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 6 +ATOM 8478 H HB3 . LYS A 1 31 ? -6.289 12.030 -0.231 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 6 +ATOM 8479 H HG2 . LYS A 1 31 ? -7.277 12.199 -2.392 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 6 +ATOM 8480 H HG3 . LYS A 1 31 ? -7.817 10.524 -2.331 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 6 +ATOM 8481 H HD2 . LYS A 1 31 ? -9.275 11.131 -0.410 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 6 +ATOM 8482 H HD3 . LYS A 1 31 ? -8.804 12.817 -0.636 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 6 +ATOM 8483 H HE2 . LYS A 1 31 ? -9.696 12.809 -2.879 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 6 +ATOM 8484 H HE3 . LYS A 1 31 ? -10.079 11.096 -2.756 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 6 +ATOM 8485 H HZ1 . LYS A 1 31 ? -12.039 12.424 -2.428 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 6 +ATOM 8486 H HZ2 . LYS A 1 31 ? -11.319 13.294 -1.185 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 6 +ATOM 8487 H HZ3 . LYS A 1 31 ? -11.665 11.662 -0.979 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 6 +ATOM 8488 N N . LYS A 1 32 ? -4.217 9.176 0.390 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 6 +ATOM 8489 C CA . LYS A 1 32 ? -3.152 8.856 1.308 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 6 +ATOM 8490 C C . LYS A 1 32 ? -1.877 8.500 0.585 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 6 +ATOM 8491 O O . LYS A 1 32 ? -0.785 8.819 1.049 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 6 +ATOM 8492 C CB . LYS A 1 32 ? -3.548 7.753 2.270 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 6 +ATOM 8493 C CG . LYS A 1 32 ? -3.920 8.265 3.640 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 6 +ATOM 8494 C CD . LYS A 1 32 ? -5.114 9.185 3.610 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 6 +ATOM 8495 C CE . LYS A 1 32 ? -5.292 9.841 4.947 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 6 +ATOM 8496 N NZ . LYS A 1 32 ? -4.156 10.738 5.260 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 6 +ATOM 8497 H H . LYS A 1 32 ? -4.972 8.555 0.296 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 6 +ATOM 8498 H HA . LYS A 1 32 ? -2.957 9.747 1.883 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 6 +ATOM 8499 H HB2 . LYS A 1 32 ? -4.395 7.224 1.859 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 6 +ATOM 8500 H HB3 . LYS A 1 32 ? -2.718 7.070 2.370 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 6 +ATOM 8501 H HG2 . LYS A 1 32 ? -4.147 7.430 4.284 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 6 +ATOM 8502 H HG3 . LYS A 1 32 ? -3.075 8.805 4.040 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 6 +ATOM 8503 H HD2 . LYS A 1 32 ? -4.957 9.947 2.860 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 6 +ATOM 8504 H HD3 . LYS A 1 32 ? -6.000 8.615 3.374 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 6 +ATOM 8505 H HE2 . LYS A 1 32 ? -6.220 10.391 4.971 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 6 +ATOM 8506 H HE3 . LYS A 1 32 ? -5.307 9.040 5.672 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 6 +ATOM 8507 H HZ1 . LYS A 1 32 ? -3.964 11.415 4.488 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 6 +ATOM 8508 H HZ2 . LYS A 1 32 ? -3.282 10.209 5.443 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 6 +ATOM 8509 H HZ3 . LYS A 1 32 ? -4.373 11.295 6.110 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 6 +ATOM 8510 N N . LEU A 1 33 ? -2.013 7.857 -0.542 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 6 +ATOM 8511 C CA . LEU A 1 33 ? -0.880 7.481 -1.348 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 6 +ATOM 8512 C C . LEU A 1 33 ? -0.216 8.704 -1.950 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 6 +ATOM 8513 O O . LEU A 1 33 ? 0.995 8.850 -1.876 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 6 +ATOM 8514 C CB . LEU A 1 33 ? -1.283 6.501 -2.453 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 6 +ATOM 8515 C CG . LEU A 1 33 ? -1.874 5.169 -1.989 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 6 +ATOM 8516 C CD1 . LEU A 1 33 ? -2.241 4.305 -3.176 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 6 +ATOM 8517 C CD2 . LEU A 1 33 ? -0.912 4.439 -1.061 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 6 +ATOM 8518 H H . LEU A 1 33 ? -2.918 7.605 -0.832 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 6 +ATOM 8519 H HA . LEU A 1 33 ? -0.176 6.989 -0.695 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 6 +ATOM 8520 H HB2 . LEU A 1 33 ? -2.011 6.990 -3.083 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 6 +ATOM 8521 H HB3 . LEU A 1 33 ? -0.407 6.289 -3.048 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 6 +ATOM 8522 H HG . LEU A 1 33 ? -2.785 5.368 -1.443 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 6 +ATOM 8523 H HD11 . LEU A 1 33 ? -1.357 4.115 -3.766 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 6 +ATOM 8524 H HD12 . LEU A 1 33 ? -2.976 4.818 -3.779 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 6 +ATOM 8525 H HD13 . LEU A 1 33 ? -2.652 3.369 -2.828 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 6 +ATOM 8526 H HD21 . LEU A 1 33 ? 0.030 4.280 -1.562 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 6 +ATOM 8527 H HD22 . LEU A 1 33 ? -1.338 3.484 -0.791 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 6 +ATOM 8528 H HD23 . LEU A 1 33 ? -0.756 5.029 -0.169 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 6 +ATOM 8529 N N . VAL A 1 34 ? -1.013 9.605 -2.503 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 6 +ATOM 8530 C CA . VAL A 1 34 ? -0.470 10.790 -3.144 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 6 +ATOM 8531 C C . VAL A 1 34 ? 0.263 11.693 -2.124 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 6 +ATOM 8532 O O . VAL A 1 34 ? 1.337 12.228 -2.421 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 6 +ATOM 8533 C CB . VAL A 1 34 ? -1.550 11.576 -3.968 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 6 +ATOM 8534 C CG1 . VAL A 1 34 ? -2.600 12.231 -3.095 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 6 +ATOM 8535 C CG2 . VAL A 1 34 ? -0.915 12.586 -4.902 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 6 +ATOM 8536 H H . VAL A 1 34 ? -1.986 9.452 -2.490 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 6 +ATOM 8537 H HA . VAL A 1 34 ? 0.285 10.424 -3.826 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 6 +ATOM 8538 H HB . VAL A 1 34 ? -2.066 10.847 -4.576 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 6 +ATOM 8539 H HG11 . VAL A 1 34 ? -3.340 12.721 -3.709 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 6 +ATOM 8540 H HG12 . VAL A 1 34 ? -2.122 12.965 -2.462 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 6 +ATOM 8541 H HG13 . VAL A 1 34 ? -3.070 11.478 -2.481 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 6 +ATOM 8542 H HG21 . VAL A 1 34 ? -1.700 13.095 -5.442 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 6 +ATOM 8543 H HG22 . VAL A 1 34 ? -0.266 12.075 -5.598 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 6 +ATOM 8544 H HG23 . VAL A 1 34 ? -0.346 13.303 -4.329 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 6 +ATOM 8545 N N . GLU A 1 35 ? -0.297 11.832 -0.915 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 6 +ATOM 8546 C CA . GLU A 1 35 ? 0.352 12.614 0.130 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 6 +ATOM 8547 C C . GLU A 1 35 ? 1.631 11.912 0.635 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 6 +ATOM 8548 O O . GLU A 1 35 ? 2.688 12.546 0.788 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 6 +ATOM 8549 C CB . GLU A 1 35 ? -0.611 12.937 1.309 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 6 +ATOM 8550 C CG . GLU A 1 35 ? -1.188 11.714 1.991 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 6 +ATOM 8551 C CD . GLU A 1 35 ? -2.001 11.997 3.234 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 6 +ATOM 8552 O OE1 . GLU A 1 35 ? -3.196 12.338 3.130 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 6 +ATOM 8553 O OE2 . GLU A 1 35 ? -1.482 11.805 4.346 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 6 +ATOM 8554 H H . GLU A 1 35 ? -1.165 11.408 -0.737 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 6 +ATOM 8555 H HA . GLU A 1 35 ? 0.658 13.542 -0.333 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 6 +ATOM 8556 H HB2 . GLU A 1 35 ? -0.084 13.514 2.052 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 6 +ATOM 8557 H HB3 . GLU A 1 35 ? -1.431 13.527 0.925 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 6 +ATOM 8558 H HG2 . GLU A 1 35 ? -1.826 11.221 1.273 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 6 +ATOM 8559 H HG3 . GLU A 1 35 ? -0.370 11.056 2.243 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 6 +ATOM 8560 N N . VAL A 1 36 ? 1.543 10.596 0.827 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 6 +ATOM 8561 C CA . VAL A 1 36 ? 2.624 9.815 1.407 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 6 +ATOM 8562 C C . VAL A 1 36 ? 3.875 9.820 0.530 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 6 +ATOM 8563 O O . VAL A 1 36 ? 4.956 9.743 1.026 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 6 +ATOM 8564 C CB . VAL A 1 36 ? 2.210 8.369 1.823 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 6 +ATOM 8565 C CG1 . VAL A 1 36 ? 2.223 7.380 0.663 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 6 +ATOM 8566 C CG2 . VAL A 1 36 ? 3.052 7.887 2.988 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 6 +ATOM 8567 H H . VAL A 1 36 ? 0.721 10.124 0.569 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 6 +ATOM 8568 H HA . VAL A 1 36 ? 2.896 10.357 2.302 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 6 +ATOM 8569 H HB . VAL A 1 36 ? 1.187 8.430 2.162 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 6 +ATOM 8570 H HG11 . VAL A 1 36 ? 3.232 7.281 0.288 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 6 +ATOM 8571 H HG12 . VAL A 1 36 ? 1.593 7.760 -0.127 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 6 +ATOM 8572 H HG13 . VAL A 1 36 ? 1.860 6.419 0.993 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 6 +ATOM 8573 H HG21 . VAL A 1 36 ? 2.786 6.869 3.236 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 6 +ATOM 8574 H HG22 . VAL A 1 36 ? 2.876 8.523 3.844 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 6 +ATOM 8575 H HG23 . VAL A 1 36 ? 4.092 7.937 2.710 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 6 +ATOM 8576 N N . LEU A 1 37 ? 3.692 9.942 -0.775 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 6 +ATOM 8577 C CA . LEU A 1 37 ? 4.789 9.926 -1.752 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 6 +ATOM 8578 C C . LEU A 1 37 ? 5.900 10.949 -1.454 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 6 +ATOM 8579 O O . LEU A 1 37 ? 7.033 10.752 -1.887 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 6 +ATOM 8580 C CB . LEU A 1 37 ? 4.260 10.146 -3.175 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 6 +ATOM 8581 C CG . LEU A 1 37 ? 3.361 9.050 -3.747 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 6 +ATOM 8582 C CD1 . LEU A 1 37 ? 2.852 9.446 -5.120 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 6 +ATOM 8583 C CD2 . LEU A 1 37 ? 4.103 7.724 -3.817 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 6 +ATOM 8584 H H . LEU A 1 37 ? 2.774 10.012 -1.103 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 6 +ATOM 8585 H HA . LEU A 1 37 ? 5.235 8.944 -1.717 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 6 +ATOM 8586 H HB2 . LEU A 1 37 ? 3.697 11.067 -3.178 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 6 +ATOM 8587 H HB3 . LEU A 1 37 ? 5.109 10.267 -3.833 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 6 +ATOM 8588 H HG . LEU A 1 37 ? 2.506 8.925 -3.099 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 6 +ATOM 8589 H HD11 . LEU A 1 37 ? 3.694 9.602 -5.777 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 6 +ATOM 8590 H HD12 . LEU A 1 37 ? 2.281 10.359 -5.046 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 6 +ATOM 8591 H HD13 . LEU A 1 37 ? 2.227 8.660 -5.518 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 6 +ATOM 8592 H HD21 . LEU A 1 37 ? 4.996 7.844 -4.414 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 6 +ATOM 8593 H HD22 . LEU A 1 37 ? 3.467 6.986 -4.280 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 6 +ATOM 8594 H HD23 . LEU A 1 37 ? 4.370 7.396 -2.824 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 6 +ATOM 8595 N N . GLU A 1 38 ? 5.589 12.039 -0.738 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 6 +ATOM 8596 C CA . GLU A 1 38 ? 6.640 13.021 -0.427 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 6 +ATOM 8597 C C . GLU A 1 38 ? 7.498 12.556 0.770 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 6 +ATOM 8598 O O . GLU A 1 38 ? 8.623 13.019 0.968 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 6 +ATOM 8599 C CB . GLU A 1 38 ? 6.068 14.417 -0.151 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 6 +ATOM 8600 C CG . GLU A 1 38 ? 5.201 14.502 1.088 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 6 +ATOM 8601 C CD . GLU A 1 38 ? 4.761 15.904 1.392 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 6 +ATOM 8602 O OE1 . GLU A 1 38 ? 5.493 16.624 2.103 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 6 +ATOM 8603 O OE2 . GLU A 1 38 ? 3.660 16.302 0.953 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 6 +ATOM 8604 H H . GLU A 1 38 ? 4.674 12.162 -0.398 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 6 +ATOM 8605 H HA . GLU A 1 38 ? 7.286 13.068 -1.292 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 6 +ATOM 8606 H HB2 . GLU A 1 38 ? 6.889 15.109 -0.033 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 6 +ATOM 8607 H HB3 . GLU A 1 38 ? 5.477 14.724 -1.001 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 6 +ATOM 8608 H HG2 . GLU A 1 38 ? 4.323 13.891 0.940 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 6 +ATOM 8609 H HG3 . GLU A 1 38 ? 5.761 14.123 1.929 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 6 +ATOM 8610 N N . SER A 1 39 ? 6.960 11.646 1.547 1.00 0.00 ? ? ? ? ? ? 36 SER A N 6 +ATOM 8611 C CA . SER A 1 39 ? 7.620 11.125 2.716 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 6 +ATOM 8612 C C . SER A 1 39 ? 7.084 9.733 3.036 1.00 0.00 ? ? ? ? ? ? 36 SER A C 6 +ATOM 8613 O O . SER A 1 39 ? 6.321 9.564 3.971 1.00 0.00 ? ? ? ? ? ? 36 SER A O 6 +ATOM 8614 C CB . SER A 1 39 ? 7.434 12.084 3.920 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 6 +ATOM 8615 O OG . SER A 1 39 ? 7.959 11.534 5.124 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 6 +ATOM 8616 H H . SER A 1 39 ? 6.084 11.260 1.324 1.00 0.00 ? ? ? ? ? ? 36 SER A H 6 +ATOM 8617 H HA . SER A 1 39 ? 8.674 11.021 2.513 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 6 +ATOM 8618 H HB2 . SER A 1 39 ? 7.944 13.015 3.715 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 6 +ATOM 8619 H HB3 . SER A 1 39 ? 6.381 12.280 4.054 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 6 +ATOM 8620 H HG . SER A 1 39 ? 7.383 10.784 5.318 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 6 +ATOM 8621 N N . PRO A 1 40 ? 7.413 8.715 2.218 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 6 +ATOM 8622 C CA . PRO A 1 40 ? 6.947 7.355 2.467 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 6 +ATOM 8623 C C . PRO A 1 40 ? 7.746 6.682 3.580 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 6 +ATOM 8624 O O . PRO A 1 40 ? 7.334 5.677 4.142 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 6 +ATOM 8625 C CB . PRO A 1 40 ? 7.154 6.668 1.121 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 6 +ATOM 8626 C CG . PRO A 1 40 ? 8.312 7.378 0.522 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 6 +ATOM 8627 C CD . PRO A 1 40 ? 8.176 8.811 0.949 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 6 +ATOM 8628 H HA . PRO A 1 40 ? 5.904 7.336 2.739 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 6 +ATOM 8629 H HB2 . PRO A 1 40 ? 7.356 5.619 1.270 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 6 +ATOM 8630 H HB3 . PRO A 1 40 ? 6.266 6.793 0.518 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 6 +ATOM 8631 H HG2 . PRO A 1 40 ? 9.233 6.960 0.899 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 6 +ATOM 8632 H HG3 . PRO A 1 40 ? 8.278 7.304 -0.555 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 6 +ATOM 8633 H HD2 . PRO A 1 40 ? 9.142 9.269 1.103 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 6 +ATOM 8634 H HD3 . PRO A 1 40 ? 7.600 9.360 0.215 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 6 +ATOM 8635 N N . ARG A 1 41 ? 8.872 7.280 3.922 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 6 +ATOM 8636 C CA . ARG A 1 41 ? 9.732 6.779 4.974 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 6 +ATOM 8637 C C . ARG A 1 41 ? 9.281 7.220 6.372 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 6 +ATOM 8638 O O . ARG A 1 41 ? 9.973 7.939 7.071 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 6 +ATOM 8639 C CB . ARG A 1 41 ? 11.236 7.060 4.681 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 6 +ATOM 8640 C CG . ARG A 1 41 ? 11.554 8.395 3.961 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 6 +ATOM 8641 C CD . ARG A 1 41 ? 11.249 9.651 4.776 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 6 +ATOM 8642 N NE . ARG A 1 41 ? 11.471 10.876 3.981 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 6 +ATOM 8643 C CZ . ARG A 1 41 ? 11.219 12.140 4.394 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 6 +ATOM 8644 N NH1 . ARG A 1 41 ? 10.827 12.380 5.646 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 6 +ATOM 8645 N NH2 . ARG A 1 41 ? 11.374 13.151 3.553 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 6 +ATOM 8646 H H . ARG A 1 41 ? 9.105 8.099 3.438 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 6 +ATOM 8647 H HA . ARG A 1 41 ? 9.584 5.709 4.954 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 6 +ATOM 8648 H HB2 . ARG A 1 41 ? 11.768 7.066 5.620 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 6 +ATOM 8649 H HB3 . ARG A 1 41 ? 11.623 6.253 4.076 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 6 +ATOM 8650 H HG2 . ARG A 1 41 ? 12.602 8.411 3.704 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 6 +ATOM 8651 H HG3 . ARG A 1 41 ? 10.980 8.424 3.046 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 6 +ATOM 8652 H HD2 . ARG A 1 41 ? 10.217 9.619 5.092 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 6 +ATOM 8653 H HD3 . ARG A 1 41 ? 11.895 9.673 5.642 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 6 +ATOM 8654 H HE . ARG A 1 41 ? 11.809 10.710 3.069 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 6 +ATOM 8655 H HH11 . ARG A 1 41 ? 10.702 11.641 6.311 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 6 +ATOM 8656 H HH12 . ARG A 1 41 ? 10.635 13.303 5.993 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 6 +ATOM 8657 H HH21 . ARG A 1 41 ? 11.683 13.024 2.605 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 6 +ATOM 8658 H HH22 . ARG A 1 41 ? 11.169 14.098 3.813 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 6 +ATOM 8659 N N . ILE A 1 42 ? 8.087 6.817 6.730 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 6 +ATOM 8660 C CA . ILE A 1 42 ? 7.494 7.128 8.021 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 6 +ATOM 8661 C C . ILE A 1 42 ? 7.605 5.905 8.927 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 6 +ATOM 8662 O O . ILE A 1 42 ? 6.927 4.895 8.703 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 6 +ATOM 8663 C CB . ILE A 1 42 ? 6.000 7.538 7.843 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 6 +ATOM 8664 C CG1 . ILE A 1 42 ? 5.918 8.779 6.951 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 6 +ATOM 8665 C CG2 . ILE A 1 42 ? 5.329 7.806 9.191 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 6 +ATOM 8666 C CD1 . ILE A 1 42 ? 4.513 9.207 6.592 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 6 +ATOM 8667 H H . ILE A 1 42 ? 7.583 6.280 6.078 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 6 +ATOM 8668 H HA . ILE A 1 42 ? 8.040 7.949 8.458 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 6 +ATOM 8669 H HB . ILE A 1 42 ? 5.478 6.729 7.355 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 6 +ATOM 8670 H HG12 . ILE A 1 42 ? 6.390 9.607 7.458 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 6 +ATOM 8671 H HG13 . ILE A 1 42 ? 6.453 8.582 6.032 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 6 +ATOM 8672 H HG21 . ILE A 1 42 ? 4.288 8.047 9.029 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 6 +ATOM 8673 H HG22 . ILE A 1 42 ? 5.816 8.641 9.670 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 6 +ATOM 8674 H HG23 . ILE A 1 42 ? 5.408 6.929 9.817 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 6 +ATOM 8675 H HD11 . ILE A 1 42 ? 4.569 10.077 5.954 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 6 +ATOM 8676 H HD12 . ILE A 1 42 ? 3.968 9.443 7.491 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 6 +ATOM 8677 H HD13 . ILE A 1 42 ? 4.018 8.406 6.062 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 6 +ATOM 8678 N N . GLU A 1 43 ? 8.442 5.995 9.953 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 6 +ATOM 8679 C CA . GLU A 1 43 ? 8.730 4.848 10.830 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 6 +ATOM 8680 C C . GLU A 1 43 ? 7.498 4.377 11.616 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 6 +ATOM 8681 O O . GLU A 1 43 ? 7.447 3.236 12.074 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 6 +ATOM 8682 C CB . GLU A 1 43 ? 9.891 5.138 11.793 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 6 +ATOM 8683 C CG . GLU A 1 43 ? 9.607 6.220 12.816 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 6 +ATOM 8684 C CD . GLU A 1 43 ? 10.740 6.424 13.773 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 6 +ATOM 8685 O OE1 . GLU A 1 43 ? 10.900 5.621 14.719 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 6 +ATOM 8686 O OE2 . GLU A 1 43 ? 11.487 7.404 13.617 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 6 +ATOM 8687 H H . GLU A 1 43 ? 8.874 6.861 10.128 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 6 +ATOM 8688 H HA . GLU A 1 43 ? 9.025 4.039 10.179 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 6 +ATOM 8689 H HB2 . GLU A 1 43 ? 10.128 4.230 12.328 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 6 +ATOM 8690 H HB3 . GLU A 1 43 ? 10.753 5.435 11.214 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 6 +ATOM 8691 H HG2 . GLU A 1 43 ? 9.439 7.150 12.296 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 6 +ATOM 8692 H HG3 . GLU A 1 43 ? 8.720 5.955 13.372 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 6 +ATOM 8693 N N . ALA A 1 44 ? 6.525 5.251 11.779 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 6 +ATOM 8694 C CA . ALA A 1 44 ? 5.295 4.918 12.491 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 6 +ATOM 8695 C C . ALA A 1 44 ? 4.399 4.009 11.663 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 6 +ATOM 8696 O O . ALA A 1 44 ? 3.522 3.330 12.197 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 6 +ATOM 8697 C CB . ALA A 1 44 ? 4.541 6.178 12.865 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 6 +ATOM 8698 H H . ALA A 1 44 ? 6.655 6.167 11.448 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 6 +ATOM 8699 H HA . ALA A 1 44 ? 5.565 4.403 13.401 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 6 +ATOM 8700 H HB1 . ALA A 1 44 ? 4.239 6.697 11.967 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 6 +ATOM 8701 H HB2 . ALA A 1 44 ? 5.183 6.816 13.453 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 6 +ATOM 8702 H HB3 . ALA A 1 44 ? 3.664 5.915 13.438 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 6 +ATOM 8703 N N . ASN A 1 45 ? 4.616 3.987 10.369 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 6 +ATOM 8704 C CA . ASN A 1 45 ? 3.785 3.176 9.490 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 6 +ATOM 8705 C C . ASN A 1 45 ? 4.541 1.963 8.996 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 6 +ATOM 8706 O O . ASN A 1 45 ? 3.961 1.085 8.355 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 6 +ATOM 8707 C CB . ASN A 1 45 ? 3.257 3.997 8.289 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 6 +ATOM 8708 C CG . ASN A 1 45 ? 2.297 5.117 8.682 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 6 +ATOM 8709 O OD1 . ASN A 1 45 ? 1.592 5.035 9.684 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 6 +ATOM 8710 N ND2 . ASN A 1 45 ? 2.256 6.169 7.894 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 6 +ATOM 8711 H H . ASN A 1 45 ? 5.354 4.511 9.989 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 6 +ATOM 8712 H HA . ASN A 1 45 ? 2.940 2.836 10.070 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 6 +ATOM 8713 H HB2 . ASN A 1 45 ? 4.095 4.443 7.776 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 6 +ATOM 8714 H HB3 . ASN A 1 45 ? 2.744 3.330 7.611 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 6 +ATOM 8715 H HD21 . ASN A 1 45 ? 2.833 6.192 7.102 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 6 +ATOM 8716 H HD22 . ASN A 1 45 ? 1.626 6.885 8.130 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 6 +ATOM 8717 N N . LYS A 1 46 ? 5.833 1.922 9.299 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 6 +ATOM 8718 C CA . LYS A 1 46 ? 6.713 0.883 8.867 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 6 +ATOM 8719 C C . LYS A 1 46 ? 6.391 -0.414 9.590 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 6 +ATOM 8720 O O . LYS A 1 46 ? 6.217 -0.426 10.811 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 6 +ATOM 8721 C CB . LYS A 1 46 ? 8.136 1.288 9.212 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 6 +ATOM 8722 C CG . LYS A 1 46 ? 9.169 0.746 8.270 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 6 +ATOM 8723 C CD . LYS A 1 46 ? 10.588 1.029 8.765 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 6 +ATOM 8724 C CE . LYS A 1 46 ? 11.645 0.620 7.738 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 6 +ATOM 8725 N NZ . LYS A 1 46 ? 11.722 1.560 6.595 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 6 +ATOM 8726 H H . LYS A 1 46 ? 6.255 2.616 9.839 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 6 +ATOM 8727 H HA . LYS A 1 46 ? 6.643 0.758 7.798 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 6 +ATOM 8728 H HB2 . LYS A 1 46 ? 8.201 2.364 9.213 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 6 +ATOM 8729 H HB3 . LYS A 1 46 ? 8.348 0.911 10.200 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 6 +ATOM 8730 H HG2 . LYS A 1 46 ? 9.000 -0.313 8.156 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 6 +ATOM 8731 H HG3 . LYS A 1 46 ? 8.989 1.265 7.341 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 6 +ATOM 8732 H HD2 . LYS A 1 46 ? 10.689 2.087 8.959 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 6 +ATOM 8733 H HD3 . LYS A 1 46 ? 10.751 0.478 9.679 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 6 +ATOM 8734 H HE2 . LYS A 1 46 ? 12.610 0.586 8.220 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 6 +ATOM 8735 H HE3 . LYS A 1 46 ? 11.399 -0.364 7.364 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 6 +ATOM 8736 H HZ1 . LYS A 1 46 ? 12.183 2.450 6.869 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 6 +ATOM 8737 H HZ2 . LYS A 1 46 ? 10.790 1.849 6.233 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 6 +ATOM 8738 H HZ3 . LYS A 1 46 ? 12.255 1.176 5.782 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 6 +ATOM 8739 N N . LEU A 1 47 ? 6.319 -1.474 8.845 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 6 +ATOM 8740 C CA . LEU A 1 47 ? 6.087 -2.783 9.393 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 6 +ATOM 8741 C C . LEU A 1 47 ? 7.413 -3.368 9.822 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 6 +ATOM 8742 O O . LEU A 1 47 ? 8.335 -3.505 9.003 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 6 +ATOM 8743 C CB . LEU A 1 47 ? 5.423 -3.701 8.370 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 6 +ATOM 8744 C CG . LEU A 1 47 ? 4.052 -3.277 7.849 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 6 +ATOM 8745 C CD1 . LEU A 1 47 ? 3.530 -4.304 6.880 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 6 +ATOM 8746 C CD2 . LEU A 1 47 ? 3.068 -3.095 8.983 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 6 +ATOM 8747 H H . LEU A 1 47 ? 6.445 -1.366 7.876 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 6 +ATOM 8748 H HA . LEU A 1 47 ? 5.443 -2.678 10.253 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 6 +ATOM 8749 H HB2 . LEU A 1 47 ? 6.084 -3.769 7.520 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 6 +ATOM 8750 H HB3 . LEU A 1 47 ? 5.329 -4.682 8.809 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 6 +ATOM 8751 H HG . LEU A 1 47 ? 4.147 -2.337 7.325 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 6 +ATOM 8752 H HD11 . LEU A 1 47 ? 2.550 -4.000 6.542 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 6 +ATOM 8753 H HD12 . LEU A 1 47 ? 3.461 -5.258 7.382 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 6 +ATOM 8754 H HD13 . LEU A 1 47 ? 4.198 -4.382 6.035 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 6 +ATOM 8755 H HD21 . LEU A 1 47 ? 3.409 -2.316 9.647 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 6 +ATOM 8756 H HD22 . LEU A 1 47 ? 2.967 -4.025 9.524 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 6 +ATOM 8757 H HD23 . LEU A 1 47 ? 2.115 -2.818 8.556 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 6 +ATOM 8758 N N . ARG A 1 48 ? 7.508 -3.697 11.077 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 6 +ATOM 8759 C CA . ARG A 1 48 ? 8.730 -4.192 11.670 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 6 +ATOM 8760 C C . ARG A 1 48 ? 9.142 -5.538 11.055 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 6 +ATOM 8761 O O . ARG A 1 48 ? 8.355 -6.487 11.030 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 6 +ATOM 8762 C CB . ARG A 1 48 ? 8.547 -4.323 13.192 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 6 +ATOM 8763 C CG . ARG A 1 48 ? 9.820 -4.651 13.966 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 6 +ATOM 8764 C CD . ARG A 1 48 ? 10.872 -3.566 13.773 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 6 +ATOM 8765 N NE . ARG A 1 48 ? 10.391 -2.241 14.191 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 6 +ATOM 8766 C CZ . ARG A 1 48 ? 10.765 -1.068 13.654 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 6 +ATOM 8767 N NH1 . ARG A 1 48 ? 11.605 -1.034 12.621 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 6 +ATOM 8768 N NH2 . ARG A 1 48 ? 10.284 0.071 14.146 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 6 +ATOM 8769 H H . ARG A 1 48 ? 6.707 -3.604 11.639 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 6 +ATOM 8770 H HA . ARG A 1 48 ? 9.503 -3.463 11.479 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 6 +ATOM 8771 H HB2 . ARG A 1 48 ? 8.159 -3.389 13.571 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 6 +ATOM 8772 H HB3 . ARG A 1 48 ? 7.822 -5.101 13.385 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 6 +ATOM 8773 H HG2 . ARG A 1 48 ? 9.582 -4.725 15.017 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 6 +ATOM 8774 H HG3 . ARG A 1 48 ? 10.213 -5.593 13.614 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 6 +ATOM 8775 H HD2 . ARG A 1 48 ? 11.747 -3.818 14.352 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 6 +ATOM 8776 H HD3 . ARG A 1 48 ? 11.133 -3.529 12.728 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 6 +ATOM 8777 H HE . ARG A 1 48 ? 9.752 -2.256 14.943 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 6 +ATOM 8778 H HH11 . ARG A 1 48 ? 11.980 -1.874 12.216 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 6 +ATOM 8779 H HH12 . ARG A 1 48 ? 11.895 -0.167 12.210 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 6 +ATOM 8780 H HH21 . ARG A 1 48 ? 9.632 0.080 14.912 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 6 +ATOM 8781 H HH22 . ARG A 1 48 ? 10.563 0.963 13.778 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 6 +ATOM 8782 N N . GLY A 1 49 ? 10.351 -5.594 10.519 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 6 +ATOM 8783 C CA . GLY A 1 49 ? 10.877 -6.831 9.959 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 6 +ATOM 8784 C C . GLY A 1 49 ? 10.641 -6.944 8.467 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 6 +ATOM 8785 O O . GLY A 1 49 ? 11.433 -7.550 7.743 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 6 +ATOM 8786 H H . GLY A 1 49 ? 10.900 -4.781 10.490 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 6 +ATOM 8787 H HA2 . GLY A 1 49 ? 11.939 -6.876 10.149 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 6 +ATOM 8788 H HA3 . GLY A 1 49 ? 10.398 -7.664 10.452 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 6 +ATOM 8789 N N . MET A 1 50 ? 9.577 -6.334 8.011 1.00 0.00 ? ? ? ? ? ? 47 MET A N 6 +ATOM 8790 C CA . MET A 1 50 ? 9.185 -6.375 6.615 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 6 +ATOM 8791 C C . MET A 1 50 ? 10.075 -5.459 5.798 1.00 0.00 ? ? ? ? ? ? 47 MET A C 6 +ATOM 8792 O O . MET A 1 50 ? 10.422 -4.359 6.264 1.00 0.00 ? ? ? ? ? ? 47 MET A O 6 +ATOM 8793 C CB . MET A 1 50 ? 7.725 -5.951 6.468 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 6 +ATOM 8794 C CG . MET A 1 50 ? 6.729 -6.910 7.096 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 6 +ATOM 8795 S SD . MET A 1 50 ? 6.594 -8.482 6.210 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 6 +ATOM 8796 C CE . MET A 1 50 ? 5.848 -7.936 4.666 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 6 +ATOM 8797 H H . MET A 1 50 ? 9.045 -5.812 8.649 1.00 0.00 ? ? ? ? ? ? 47 MET A H 6 +ATOM 8798 H HA . MET A 1 50 ? 9.291 -7.391 6.266 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 6 +ATOM 8799 H HB2 . MET A 1 50 ? 7.611 -4.987 6.941 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 6 +ATOM 8800 H HB3 . MET A 1 50 ? 7.497 -5.852 5.418 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 6 +ATOM 8801 H HG2 . MET A 1 50 ? 7.049 -7.114 8.106 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 6 +ATOM 8802 H HG3 . MET A 1 50 ? 5.757 -6.439 7.119 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 6 +ATOM 8803 H HE1 . MET A 1 50 ? 5.700 -8.788 4.018 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 6 +ATOM 8804 H HE2 . MET A 1 50 ? 6.489 -7.221 4.173 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 6 +ATOM 8805 H HE3 . MET A 1 50 ? 4.891 -7.483 4.876 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 6 +ATOM 8806 N N . PRO A 1 51 ? 10.480 -5.893 4.587 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 6 +ATOM 8807 C CA . PRO A 1 51 ? 11.343 -5.103 3.708 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 6 +ATOM 8808 C C . PRO A 1 51 ? 10.680 -3.803 3.246 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 6 +ATOM 8809 O O . PRO A 1 51 ? 9.918 -3.785 2.271 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 6 +ATOM 8810 C CB . PRO A 1 51 ? 11.638 -6.029 2.522 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 6 +ATOM 8811 C CG . PRO A 1 51 ? 10.555 -7.054 2.550 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 6 +ATOM 8812 C CD . PRO A 1 51 ? 10.137 -7.202 3.986 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 6 +ATOM 8813 H HA . PRO A 1 51 ? 12.263 -4.854 4.215 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 6 +ATOM 8814 H HB2 . PRO A 1 51 ? 11.620 -5.455 1.607 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 6 +ATOM 8815 H HB3 . PRO A 1 51 ? 12.611 -6.479 2.647 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 6 +ATOM 8816 H HG2 . PRO A 1 51 ? 9.719 -6.714 1.956 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 6 +ATOM 8817 H HG3 . PRO A 1 51 ? 10.929 -7.993 2.169 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 6 +ATOM 8818 H HD2 . PRO A 1 51 ? 9.076 -7.388 4.050 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 6 +ATOM 8819 H HD3 . PRO A 1 51 ? 10.690 -7.998 4.462 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 6 +ATOM 8820 N N . ASP A 1 52 ? 10.914 -2.750 4.039 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 6 +ATOM 8821 C CA . ASP A 1 52 ? 10.394 -1.392 3.819 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 6 +ATOM 8822 C C . ASP A 1 52 ? 8.924 -1.371 3.480 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 6 +ATOM 8823 O O . ASP A 1 52 ? 8.492 -0.672 2.570 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 6 +ATOM 8824 C CB . ASP A 1 52 ? 11.215 -0.593 2.794 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 6 +ATOM 8825 C CG . ASP A 1 52 ? 12.553 -0.162 3.330 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 6 +ATOM 8826 O OD1 . ASP A 1 52 ? 12.596 0.703 4.238 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 6 +ATOM 8827 O OD2 . ASP A 1 52 ? 13.594 -0.687 2.885 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 6 +ATOM 8828 H H . ASP A 1 52 ? 11.473 -2.927 4.824 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 6 +ATOM 8829 H HA . ASP A 1 52 ? 10.486 -0.898 4.776 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 6 +ATOM 8830 H HB2 . ASP A 1 52 ? 11.386 -1.209 1.923 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 6 +ATOM 8831 H HB3 . ASP A 1 52 ? 10.658 0.285 2.503 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 6 +ATOM 8832 N N . CYS A 1 53 ? 8.154 -2.113 4.227 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 6 +ATOM 8833 C CA . CYS A 1 53 ? 6.740 -2.157 4.005 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 6 +ATOM 8834 C C . CYS A 1 53 ? 6.062 -1.252 5.008 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 6 +ATOM 8835 O O . CYS A 1 53 ? 6.511 -1.141 6.152 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 6 +ATOM 8836 C CB . CYS A 1 53 ? 6.229 -3.587 4.125 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 6 +ATOM 8837 S SG . CYS A 1 53 ? 7.063 -4.760 3.026 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 6 +ATOM 8838 H H . CYS A 1 53 ? 8.544 -2.641 4.953 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 6 +ATOM 8839 H HA . CYS A 1 53 ? 6.539 -1.786 3.013 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 6 +ATOM 8840 H HB2 . CYS A 1 53 ? 6.372 -3.926 5.141 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 6 +ATOM 8841 H HB3 . CYS A 1 53 ? 5.175 -3.605 3.890 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 6 +ATOM 8842 H HG . CYS A 1 53 ? 8.157 -4.168 2.553 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 6 +ATOM 8843 N N . TYR A 1 54 ? 5.036 -0.580 4.574 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 6 +ATOM 8844 C CA . TYR A 1 54 ? 4.313 0.358 5.393 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 6 +ATOM 8845 C C . TYR A 1 54 ? 2.839 0.112 5.223 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 6 +ATOM 8846 O O . TYR A 1 54 ? 2.406 -0.373 4.165 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 6 +ATOM 8847 C CB . TYR A 1 54 ? 4.626 1.811 4.976 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 6 +ATOM 8848 C CG . TYR A 1 54 ? 6.086 2.211 5.063 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 6 +ATOM 8849 C CD1 . TYR A 1 54 ? 6.986 1.841 4.083 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 6 +ATOM 8850 C CD2 . TYR A 1 54 ? 6.558 2.959 6.118 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 6 +ATOM 8851 C CE1 . TYR A 1 54 ? 8.311 2.195 4.156 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 6 +ATOM 8852 C CE2 . TYR A 1 54 ? 7.886 3.319 6.195 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 6 +ATOM 8853 C CZ . TYR A 1 54 ? 8.753 2.931 5.209 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 6 +ATOM 8854 O OH . TYR A 1 54 ? 10.078 3.274 5.289 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 6 +ATOM 8855 H H . TYR A 1 54 ? 4.736 -0.717 3.645 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 6 +ATOM 8856 H HA . TYR A 1 54 ? 4.594 0.219 6.425 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 6 +ATOM 8857 H HB2 . TYR A 1 54 ? 4.314 1.950 3.952 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 6 +ATOM 8858 H HB3 . TYR A 1 54 ? 4.057 2.482 5.603 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 6 +ATOM 8859 H HD1 . TYR A 1 54 ? 6.634 1.254 3.248 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 6 +ATOM 8860 H HD2 . TYR A 1 54 ? 5.874 3.264 6.896 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 6 +ATOM 8861 H HE1 . TYR A 1 54 ? 8.994 1.892 3.376 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 6 +ATOM 8862 H HE2 . TYR A 1 54 ? 8.238 3.903 7.033 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 6 +ATOM 8863 H HH . TYR A 1 54 ? 10.369 3.618 4.435 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 6 +ATOM 8864 N N . LYS A 1 55 ? 2.080 0.419 6.235 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 6 +ATOM 8865 C CA . LYS A 1 55 ? 0.653 0.254 6.183 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 6 +ATOM 8866 C C . LYS A 1 55 ? -0.049 1.586 6.405 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 6 +ATOM 8867 O O . LYS A 1 55 ? 0.389 2.405 7.221 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 6 +ATOM 8868 C CB . LYS A 1 55 ? 0.168 -0.768 7.237 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 6 +ATOM 8869 C CG . LYS A 1 55 ? 0.528 -0.406 8.680 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 6 +ATOM 8870 C CD . LYS A 1 55 ? -0.148 -1.329 9.680 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 6 +ATOM 8871 C CE . LYS A 1 55 ? 0.252 -0.986 11.108 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 6 +ATOM 8872 N NZ . LYS A 1 55 ? -0.517 -1.761 12.107 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 6 +ATOM 8873 H H . LYS A 1 55 ? 2.499 0.783 7.048 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 6 +ATOM 8874 H HA . LYS A 1 55 ? 0.397 -0.117 5.202 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 6 +ATOM 8875 H HB2 . LYS A 1 55 ? -0.907 -0.847 7.170 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 6 +ATOM 8876 H HB3 . LYS A 1 55 ? 0.601 -1.731 7.009 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 6 +ATOM 8877 H HG2 . LYS A 1 55 ? 1.599 -0.480 8.805 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 6 +ATOM 8878 H HG3 . LYS A 1 55 ? 0.217 0.609 8.870 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 6 +ATOM 8879 H HD2 . LYS A 1 55 ? -1.219 -1.225 9.583 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 6 +ATOM 8880 H HD3 . LYS A 1 55 ? 0.132 -2.350 9.470 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 6 +ATOM 8881 H HE2 . LYS A 1 55 ? 1.300 -1.217 11.227 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 6 +ATOM 8882 H HE3 . LYS A 1 55 ? 0.103 0.070 11.273 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 6 +ATOM 8883 H HZ1 . LYS A 1 55 ? -0.351 -2.783 12.028 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 6 +ATOM 8884 H HZ2 . LYS A 1 55 ? -1.539 -1.588 12.042 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 6 +ATOM 8885 H HZ3 . LYS A 1 55 ? -0.246 -1.483 13.073 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 6 +ATOM 8886 N N . ILE A 1 56 ? -1.100 1.807 5.670 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 6 +ATOM 8887 C CA . ILE A 1 56 ? -1.949 2.965 5.856 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 6 +ATOM 8888 C C . ILE A 1 56 ? -3.341 2.472 6.182 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 6 +ATOM 8889 O O . ILE A 1 56 ? -3.823 1.523 5.559 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 6 +ATOM 8890 C CB . ILE A 1 56 ? -1.989 3.901 4.600 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 6 +ATOM 8891 C CG1 . ILE A 1 56 ? -0.589 4.480 4.318 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 6 +ATOM 8892 C CG2 . ILE A 1 56 ? -3.021 5.029 4.779 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 6 +ATOM 8893 C CD1 . ILE A 1 56 ? -0.534 5.448 3.150 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 6 +ATOM 8894 H H . ILE A 1 56 ? -1.325 1.161 4.961 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 6 +ATOM 8895 H HA . ILE A 1 56 ? -1.570 3.515 6.705 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 6 +ATOM 8896 H HB . ILE A 1 56 ? -2.298 3.305 3.753 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 6 +ATOM 8897 H HG12 . ILE A 1 56 ? -0.246 5.009 5.194 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 6 +ATOM 8898 H HG13 . ILE A 1 56 ? 0.091 3.666 4.111 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 6 +ATOM 8899 H HG21 . ILE A 1 56 ? -3.055 5.638 3.888 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 6 +ATOM 8900 H HG22 . ILE A 1 56 ? -2.747 5.662 5.611 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 6 +ATOM 8901 H HG23 . ILE A 1 56 ? -4.001 4.614 4.960 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 6 +ATOM 8902 H HD11 . ILE A 1 56 ? 0.489 5.754 2.983 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 6 +ATOM 8903 H HD12 . ILE A 1 56 ? -1.124 6.318 3.393 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 6 +ATOM 8904 H HD13 . ILE A 1 56 ? -0.927 4.978 2.261 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 6 +ATOM 8905 N N . LYS A 1 57 ? -3.953 3.072 7.169 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 6 +ATOM 8906 C CA . LYS A 1 57 ? -5.277 2.694 7.598 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 6 +ATOM 8907 C C . LYS A 1 57 ? -6.325 3.734 7.198 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 6 +ATOM 8908 O O . LYS A 1 57 ? -5.997 4.911 6.968 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 6 +ATOM 8909 C CB . LYS A 1 57 ? -5.293 2.337 9.099 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 6 +ATOM 8910 C CG . LYS A 1 57 ? -4.507 3.270 10.000 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 6 +ATOM 8911 C CD . LYS A 1 57 ? -5.120 4.639 10.114 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 6 +ATOM 8912 C CE . LYS A 1 57 ? -4.178 5.549 10.833 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 6 +ATOM 8913 N NZ . LYS A 1 57 ? -4.729 6.891 11.037 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 6 +ATOM 8914 H H . LYS A 1 57 ? -3.515 3.826 7.615 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 6 +ATOM 8915 H HA . LYS A 1 57 ? -5.507 1.802 7.037 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 6 +ATOM 8916 H HB2 . LYS A 1 57 ? -6.316 2.366 9.437 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 6 +ATOM 8917 H HB3 . LYS A 1 57 ? -4.908 1.337 9.230 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 6 +ATOM 8918 H HG2 . LYS A 1 57 ? -4.454 2.837 10.986 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 6 +ATOM 8919 H HG3 . LYS A 1 57 ? -3.506 3.361 9.603 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 6 +ATOM 8920 H HD2 . LYS A 1 57 ? -5.317 5.022 9.124 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 6 +ATOM 8921 H HD3 . LYS A 1 57 ? -6.040 4.563 10.673 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 6 +ATOM 8922 H HE2 . LYS A 1 57 ? -3.929 5.106 11.784 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 6 +ATOM 8923 H HE3 . LYS A 1 57 ? -3.300 5.614 10.208 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 6 +ATOM 8924 H HZ1 . LYS A 1 57 ? -5.629 6.853 11.555 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 6 +ATOM 8925 H HZ2 . LYS A 1 57 ? -4.854 7.397 10.137 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 6 +ATOM 8926 H HZ3 . LYS A 1 57 ? -4.059 7.446 11.611 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 6 +ATOM 8927 N N . LEU A 1 58 ? -7.560 3.314 7.126 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 6 +ATOM 8928 C CA . LEU A 1 58 ? -8.612 4.154 6.612 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 6 +ATOM 8929 C C . LEU A 1 58 ? -9.334 4.901 7.737 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 6 +ATOM 8930 O O . LEU A 1 58 ? -9.194 4.568 8.924 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 6 +ATOM 8931 C CB . LEU A 1 58 ? -9.628 3.305 5.844 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 6 +ATOM 8932 C CG . LEU A 1 58 ? -10.475 4.040 4.820 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 6 +ATOM 8933 C CD1 . LEU A 1 58 ? -9.668 4.307 3.584 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 6 +ATOM 8934 C CD2 . LEU A 1 58 ? -11.743 3.293 4.487 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 6 +ATOM 8935 H H . LEU A 1 58 ? -7.766 2.396 7.413 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 6 +ATOM 8936 H HA . LEU A 1 58 ? -8.165 4.862 5.932 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 6 +ATOM 8937 H HB2 . LEU A 1 58 ? -9.087 2.520 5.337 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 6 +ATOM 8938 H HB3 . LEU A 1 58 ? -10.290 2.846 6.564 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 6 +ATOM 8939 H HG . LEU A 1 58 ? -10.745 5.002 5.229 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 6 +ATOM 8940 H HD11 . LEU A 1 58 ? -9.263 3.378 3.211 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 6 +ATOM 8941 H HD12 . LEU A 1 58 ? -8.868 4.999 3.798 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 6 +ATOM 8942 H HD13 . LEU A 1 58 ? -10.325 4.721 2.835 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 6 +ATOM 8943 H HD21 . LEU A 1 58 ? -11.503 2.301 4.141 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 6 +ATOM 8944 H HD22 . LEU A 1 58 ? -12.250 3.839 3.704 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 6 +ATOM 8945 H HD23 . LEU A 1 58 ? -12.378 3.240 5.358 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 6 +ATOM 8946 N N . ARG A 1 59 ? -10.109 5.897 7.361 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 6 +ATOM 8947 C CA . ARG A 1 59 ? -10.892 6.667 8.304 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 6 +ATOM 8948 C C . ARG A 1 59 ? -12.281 6.058 8.499 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 6 +ATOM 8949 O O . ARG A 1 59 ? -12.665 5.742 9.619 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 6 +ATOM 8950 C CB . ARG A 1 59 ? -11.008 8.124 7.847 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 6 +ATOM 8951 C CG . ARG A 1 59 ? -9.700 8.906 7.879 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 6 +ATOM 8952 C CD . ARG A 1 59 ? -9.160 9.006 9.296 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 6 +ATOM 8953 N NE . ARG A 1 59 ? -7.915 9.780 9.379 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 6 +ATOM 8954 C CZ . ARG A 1 59 ? -7.060 9.732 10.420 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 6 +ATOM 8955 N NH1 . ARG A 1 59 ? -7.236 8.837 11.397 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 6 +ATOM 8956 N NH2 . ARG A 1 59 ? -6.011 10.541 10.460 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 6 +ATOM 8957 H H . ARG A 1 59 ? -10.150 6.138 6.412 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 6 +ATOM 8958 H HA . ARG A 1 59 ? -10.382 6.642 9.253 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 6 +ATOM 8959 H HB2 . ARG A 1 59 ? -11.380 8.133 6.832 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 6 +ATOM 8960 H HB3 . ARG A 1 59 ? -11.724 8.625 8.480 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 6 +ATOM 8961 H HG2 . ARG A 1 59 ? -8.973 8.402 7.260 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 6 +ATOM 8962 H HG3 . ARG A 1 59 ? -9.877 9.901 7.498 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 6 +ATOM 8963 H HD2 . ARG A 1 59 ? -9.902 9.482 9.920 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 6 +ATOM 8964 H HD3 . ARG A 1 59 ? -8.971 8.009 9.665 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 6 +ATOM 8965 H HE . ARG A 1 59 ? -7.757 10.383 8.616 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 6 +ATOM 8966 H HH11 . ARG A 1 59 ? -7.987 8.170 11.386 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 6 +ATOM 8967 H HH12 . ARG A 1 59 ? -6.630 8.794 12.198 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 6 +ATOM 8968 H HH21 . ARG A 1 59 ? -5.813 11.208 9.737 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 6 +ATOM 8969 H HH22 . ARG A 1 59 ? -5.360 10.503 11.224 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 6 +ATOM 8970 N N . SER A 1 60 ? -13.011 5.875 7.401 1.00 0.00 ? ? ? ? ? ? 57 SER A N 6 +ATOM 8971 C CA . SER A 1 60 ? -14.383 5.362 7.443 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 6 +ATOM 8972 C C . SER A 1 60 ? -14.493 3.971 8.123 1.00 0.00 ? ? ? ? ? ? 57 SER A C 6 +ATOM 8973 O O . SER A 1 60 ? -15.175 3.815 9.138 1.00 0.00 ? ? ? ? ? ? 57 SER A O 6 +ATOM 8974 C CB . SER A 1 60 ? -14.936 5.305 6.027 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 6 +ATOM 8975 O OG . SER A 1 60 ? -14.781 6.559 5.367 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 6 +ATOM 8976 H H . SER A 1 60 ? -12.639 6.123 6.527 1.00 0.00 ? ? ? ? ? ? 57 SER A H 6 +ATOM 8977 H HA . SER A 1 60 ? -14.977 6.065 8.008 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 6 +ATOM 8978 H HB2 . SER A 1 60 ? -14.409 4.547 5.465 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 6 +ATOM 8979 H HB3 . SER A 1 60 ? -15.985 5.060 6.068 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 6 +ATOM 8980 H HG . SER A 1 60 ? -14.695 7.250 6.040 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 6 +ATOM 8981 N N . SER A 1 61 ? -13.814 2.985 7.580 1.00 0.00 ? ? ? ? ? ? 58 SER A N 6 +ATOM 8982 C CA . SER A 1 61 ? -13.866 1.644 8.113 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 6 +ATOM 8983 C C . SER A 1 61 ? -12.471 1.057 8.225 1.00 0.00 ? ? ? ? ? ? 58 SER A C 6 +ATOM 8984 O O . SER A 1 61 ? -11.487 1.749 7.929 1.00 0.00 ? ? ? ? ? ? 58 SER A O 6 +ATOM 8985 C CB . SER A 1 61 ? -14.797 0.771 7.270 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 6 +ATOM 8986 O OG . SER A 1 61 ? -16.134 1.270 7.335 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 6 +ATOM 8987 H H . SER A 1 61 ? -13.237 3.153 6.809 1.00 0.00 ? ? ? ? ? ? 58 SER A H 6 +ATOM 8988 H HA . SER A 1 61 ? -14.269 1.721 9.112 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 6 +ATOM 8989 H HB2 . SER A 1 61 ? -14.468 0.788 6.242 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 6 +ATOM 8990 H HB3 . SER A 1 61 ? -14.784 -0.242 7.640 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 6 +ATOM 8991 H HG . SER A 1 61 ? -16.252 1.904 6.616 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 6 +ATOM 8992 N N . GLY A 1 62 ? -12.378 -0.186 8.650 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 6 +ATOM 8993 C CA . GLY A 1 62 ? -11.105 -0.823 8.900 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 6 +ATOM 8994 C C . GLY A 1 62 ? -10.428 -1.372 7.657 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 6 +ATOM 8995 O O . GLY A 1 62 ? -10.209 -2.582 7.542 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 6 +ATOM 8996 H H . GLY A 1 62 ? -13.187 -0.721 8.811 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 6 +ATOM 8997 H HA2 . GLY A 1 62 ? -10.448 -0.104 9.364 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 6 +ATOM 8998 H HA3 . GLY A 1 62 ? -11.264 -1.633 9.595 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 6 +ATOM 8999 N N . TYR A 1 63 ? -10.095 -0.500 6.745 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 6 +ATOM 9000 C CA . TYR A 1 63 ? -9.373 -0.872 5.544 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 6 +ATOM 9001 C C . TYR A 1 63 ? -7.940 -0.462 5.694 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 6 +ATOM 9002 O O . TYR A 1 63 ? -7.656 0.592 6.259 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 6 +ATOM 9003 C CB . TYR A 1 63 ? -9.969 -0.228 4.291 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 6 +ATOM 9004 C CG . TYR A 1 63 ? -11.285 -0.819 3.842 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 6 +ATOM 9005 C CD1 . TYR A 1 63 ? -12.471 -0.510 4.485 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 6 +ATOM 9006 C CD2 . TYR A 1 63 ? -11.332 -1.692 2.762 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 6 +ATOM 9007 C CE1 . TYR A 1 63 ? -13.667 -1.054 4.070 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 6 +ATOM 9008 C CE2 . TYR A 1 63 ? -12.523 -2.239 2.338 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 6 +ATOM 9009 C CZ . TYR A 1 63 ? -13.690 -1.917 2.997 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 6 +ATOM 9010 O OH . TYR A 1 63 ? -14.886 -2.471 2.584 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 6 +ATOM 9011 H H . TYR A 1 63 ? -10.307 0.445 6.905 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 6 +ATOM 9012 H HA . TYR A 1 63 ? -9.417 -1.946 5.452 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 6 +ATOM 9013 H HB2 . TYR A 1 63 ? -10.131 0.821 4.484 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 6 +ATOM 9014 H HB3 . TYR A 1 63 ? -9.263 -0.326 3.479 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 6 +ATOM 9015 H HD1 . TYR A 1 63 ? -12.449 0.167 5.326 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 6 +ATOM 9016 H HD2 . TYR A 1 63 ? -10.415 -1.943 2.250 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 6 +ATOM 9017 H HE1 . TYR A 1 63 ? -14.577 -0.801 4.589 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 6 +ATOM 9018 H HE2 . TYR A 1 63 ? -12.538 -2.915 1.497 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 6 +ATOM 9019 H HH . TYR A 1 63 ? -15.535 -1.759 2.521 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 6 +ATOM 9020 N N . ARG A 1 64 ? -7.042 -1.295 5.250 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 6 +ATOM 9021 C CA . ARG A 1 64 ? -5.635 -1.011 5.339 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 6 +ATOM 9022 C C . ARG A 1 64 ? -4.960 -1.372 4.044 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 6 +ATOM 9023 O O . ARG A 1 64 ? -5.328 -2.351 3.381 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 6 +ATOM 9024 C CB . ARG A 1 64 ? -4.921 -1.714 6.538 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 6 +ATOM 9025 C CG . ARG A 1 64 ? -5.363 -1.249 7.936 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 6 +ATOM 9026 C CD . ARG A 1 64 ? -6.669 -1.894 8.376 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 6 +ATOM 9027 N NE . ARG A 1 64 ? -7.240 -1.268 9.577 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 6 +ATOM 9028 C CZ . ARG A 1 64 ? -7.726 -1.931 10.638 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 6 +ATOM 9029 N NH1 . ARG A 1 64 ? -7.417 -3.204 10.831 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 6 +ATOM 9030 N NH2 . ARG A 1 64 ? -8.443 -1.296 11.553 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 6 +ATOM 9031 H H . ARG A 1 64 ? -7.315 -2.119 4.781 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 6 +ATOM 9032 H HA . ARG A 1 64 ? -5.547 0.058 5.462 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 6 +ATOM 9033 H HB2 . ARG A 1 64 ? -5.103 -2.776 6.469 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 6 +ATOM 9034 H HB3 . ARG A 1 64 ? -3.859 -1.545 6.444 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 6 +ATOM 9035 H HG2 . ARG A 1 64 ? -4.593 -1.494 8.652 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 6 +ATOM 9036 H HG3 . ARG A 1 64 ? -5.494 -0.177 7.909 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 6 +ATOM 9037 H HD2 . ARG A 1 64 ? -7.382 -1.804 7.570 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 6 +ATOM 9038 H HD3 . ARG A 1 64 ? -6.492 -2.940 8.575 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 6 +ATOM 9039 H HE . ARG A 1 64 ? -7.339 -0.291 9.508 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 6 +ATOM 9040 H HH11 . ARG A 1 64 ? -6.810 -3.698 10.210 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 6 +ATOM 9041 H HH12 . ARG A 1 64 ? -7.796 -3.709 11.612 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 6 +ATOM 9042 H HH21 . ARG A 1 64 ? -8.650 -0.315 11.510 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 6 +ATOM 9043 H HH22 . ARG A 1 64 ? -8.832 -1.796 12.333 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 6 +ATOM 9044 N N . LEU A 1 65 ? -4.013 -0.582 3.676 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 6 +ATOM 9045 C CA . LEU A 1 65 ? -3.271 -0.782 2.472 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 6 +ATOM 9046 C C . LEU A 1 65 ? -1.809 -0.957 2.856 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 6 +ATOM 9047 O O . LEU A 1 65 ? -1.267 -0.157 3.630 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 6 +ATOM 9048 C CB . LEU A 1 65 ? -3.521 0.428 1.529 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 6 +ATOM 9049 C CG . LEU A 1 65 ? -2.909 0.404 0.114 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 6 +ATOM 9050 C CD1 . LEU A 1 65 ? -3.598 1.434 -0.763 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 6 +ATOM 9051 C CD2 . LEU A 1 65 ? -1.437 0.726 0.159 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 6 +ATOM 9052 H H . LEU A 1 65 ? -3.793 0.186 4.249 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 6 +ATOM 9053 H HA . LEU A 1 65 ? -3.625 -1.687 2.001 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 6 +ATOM 9054 H HB2 . LEU A 1 65 ? -4.589 0.533 1.415 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 6 +ATOM 9055 H HB3 . LEU A 1 65 ? -3.157 1.310 2.035 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 6 +ATOM 9056 H HG . LEU A 1 65 ? -3.039 -0.575 -0.326 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 6 +ATOM 9057 H HD11 . LEU A 1 65 ? -3.480 2.415 -0.326 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 6 +ATOM 9058 H HD12 . LEU A 1 65 ? -4.648 1.196 -0.846 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 6 +ATOM 9059 H HD13 . LEU A 1 65 ? -3.149 1.421 -1.745 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 6 +ATOM 9060 H HD21 . LEU A 1 65 ? -1.038 0.743 -0.845 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 6 +ATOM 9061 H HD22 . LEU A 1 65 ? -0.924 -0.025 0.742 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 6 +ATOM 9062 H HD23 . LEU A 1 65 ? -1.307 1.694 0.619 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 6 +ATOM 9063 N N . VAL A 1 66 ? -1.194 -2.011 2.360 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 6 +ATOM 9064 C CA . VAL A 1 66 ? 0.185 -2.320 2.680 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 6 +ATOM 9065 C C . VAL A 1 66 ? 1.027 -2.240 1.407 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 6 +ATOM 9066 O O . VAL A 1 66 ? 0.708 -2.878 0.379 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 6 +ATOM 9067 C CB . VAL A 1 66 ? 0.329 -3.740 3.315 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 6 +ATOM 9068 C CG1 . VAL A 1 66 ? 1.762 -3.997 3.769 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 6 +ATOM 9069 C CG2 . VAL A 1 66 ? -0.635 -3.921 4.485 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 6 +ATOM 9070 H H . VAL A 1 66 ? -1.667 -2.599 1.729 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 6 +ATOM 9071 H HA . VAL A 1 66 ? 0.539 -1.581 3.381 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 6 +ATOM 9072 H HB . VAL A 1 66 ? 0.085 -4.470 2.557 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 6 +ATOM 9073 H HG11 . VAL A 1 66 ? 1.842 -4.993 4.176 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 6 +ATOM 9074 H HG12 . VAL A 1 66 ? 2.022 -3.289 4.544 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 6 +ATOM 9075 H HG13 . VAL A 1 66 ? 2.439 -3.887 2.935 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 6 +ATOM 9076 H HG21 . VAL A 1 66 ? -0.422 -3.184 5.244 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 6 +ATOM 9077 H HG22 . VAL A 1 66 ? -0.519 -4.910 4.902 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 6 +ATOM 9078 H HG23 . VAL A 1 66 ? -1.651 -3.795 4.137 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 6 +ATOM 9079 N N . TYR A 1 67 ? 2.074 -1.469 1.464 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 6 +ATOM 9080 C CA . TYR A 1 67 ? 2.939 -1.264 0.330 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 6 +ATOM 9081 C C . TYR A 1 67 ? 4.381 -1.346 0.743 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 6 +ATOM 9082 O O . TYR A 1 67 ? 4.694 -1.207 1.919 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 6 +ATOM 9083 C CB . TYR A 1 67 ? 2.660 0.090 -0.359 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 6 +ATOM 9084 C CG . TYR A 1 67 ? 2.764 1.324 0.528 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 6 +ATOM 9085 C CD1 . TYR A 1 67 ? 3.979 1.759 1.049 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 6 +ATOM 9086 C CD2 . TYR A 1 67 ? 1.645 2.067 0.809 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 6 +ATOM 9087 C CE1 . TYR A 1 67 ? 4.056 2.888 1.823 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 6 +ATOM 9088 C CE2 . TYR A 1 67 ? 1.712 3.193 1.580 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 6 +ATOM 9089 C CZ . TYR A 1 67 ? 2.920 3.601 2.087 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 6 +ATOM 9090 O OH . TYR A 1 67 ? 2.987 4.721 2.868 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 6 +ATOM 9091 H H . TYR A 1 67 ? 2.295 -1.028 2.315 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 6 +ATOM 9092 H HA . TYR A 1 67 ? 2.740 -2.054 -0.379 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 6 +ATOM 9093 H HB2 . TYR A 1 67 ? 3.358 0.222 -1.171 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 6 +ATOM 9094 H HB3 . TYR A 1 67 ? 1.659 0.065 -0.764 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 6 +ATOM 9095 H HD1 . TYR A 1 67 ? 4.872 1.187 0.841 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 6 +ATOM 9096 H HD2 . TYR A 1 67 ? 0.697 1.746 0.409 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 6 +ATOM 9097 H HE1 . TYR A 1 67 ? 5.009 3.210 2.213 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 6 +ATOM 9098 H HE2 . TYR A 1 67 ? 0.808 3.750 1.774 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 6 +ATOM 9099 H HH . TYR A 1 67 ? 2.263 4.696 3.499 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 6 +ATOM 9100 N N . GLN A 1 68 ? 5.236 -1.595 -0.198 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 6 +ATOM 9101 C CA . GLN A 1 68 ? 6.649 -1.572 0.049 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 6 +ATOM 9102 C C . GLN A 1 68 ? 7.232 -0.358 -0.635 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 6 +ATOM 9103 O O . GLN A 1 68 ? 6.801 0.016 -1.730 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 6 +ATOM 9104 C CB . GLN A 1 68 ? 7.345 -2.833 -0.464 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 6 +ATOM 9105 C CG . GLN A 1 68 ? 7.191 -3.055 -1.962 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 6 +ATOM 9106 C CD . GLN A 1 68 ? 8.006 -4.205 -2.500 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 6 +ATOM 9107 O OE1 . GLN A 1 68 ? 7.604 -4.852 -3.456 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 6 +ATOM 9108 N NE2 . GLN A 1 68 ? 9.170 -4.439 -1.941 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 6 +ATOM 9109 H H . GLN A 1 68 ? 4.912 -1.768 -1.110 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 6 +ATOM 9110 H HA . GLN A 1 68 ? 6.809 -1.477 1.111 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 6 +ATOM 9111 H HB2 . GLN A 1 68 ? 8.396 -2.754 -0.235 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 6 +ATOM 9112 H HB3 . GLN A 1 68 ? 6.942 -3.690 0.055 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 6 +ATOM 9113 H HG2 . GLN A 1 68 ? 6.151 -3.253 -2.175 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 6 +ATOM 9114 H HG3 . GLN A 1 68 ? 7.486 -2.150 -2.473 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 6 +ATOM 9115 H HE21 . GLN A 1 68 ? 9.471 -3.860 -1.205 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 6 +ATOM 9116 H HE22 . GLN A 1 68 ? 9.712 -5.177 -2.281 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 6 +ATOM 9117 N N . VAL A 1 69 ? 8.146 0.273 -0.002 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 6 +ATOM 9118 C CA . VAL A 1 69 ? 8.808 1.381 -0.598 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 6 +ATOM 9119 C C . VAL A 1 69 ? 10.130 0.907 -1.111 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 6 +ATOM 9120 O O . VAL A 1 69 ? 11.005 0.509 -0.342 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 6 +ATOM 9121 C CB . VAL A 1 69 ? 9.011 2.548 0.396 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 6 +ATOM 9122 C CG1 . VAL A 1 69 ? 9.770 3.703 -0.257 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 6 +ATOM 9123 C CG2 . VAL A 1 69 ? 7.670 3.030 0.904 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 6 +ATOM 9124 H H . VAL A 1 69 ? 8.397 -0.021 0.903 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 6 +ATOM 9125 H HA . VAL A 1 69 ? 8.209 1.723 -1.429 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 6 +ATOM 9126 H HB . VAL A 1 69 ? 9.586 2.190 1.237 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 6 +ATOM 9127 H HG11 . VAL A 1 69 ? 9.897 4.502 0.459 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 6 +ATOM 9128 H HG12 . VAL A 1 69 ? 9.211 4.066 -1.107 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 6 +ATOM 9129 H HG13 . VAL A 1 69 ? 10.737 3.357 -0.586 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 6 +ATOM 9130 H HG21 . VAL A 1 69 ? 7.829 3.768 1.675 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 6 +ATOM 9131 H HG22 . VAL A 1 69 ? 7.120 2.194 1.312 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 6 +ATOM 9132 H HG23 . VAL A 1 69 ? 7.106 3.468 0.094 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 6 +ATOM 9133 N N . ILE A 1 70 ? 10.264 0.888 -2.389 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 6 +ATOM 9134 C CA . ILE A 1 70 ? 11.485 0.502 -2.979 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 6 +ATOM 9135 C C . ILE A 1 70 ? 12.218 1.774 -3.289 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 6 +ATOM 9136 O O . ILE A 1 70 ? 11.987 2.407 -4.332 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 6 +ATOM 9137 C CB . ILE A 1 70 ? 11.256 -0.293 -4.287 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 6 +ATOM 9138 C CG1 . ILE A 1 70 ? 10.260 -1.435 -4.042 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 6 +ATOM 9139 C CG2 . ILE A 1 70 ? 12.583 -0.849 -4.798 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 6 +ATOM 9140 C CD1 . ILE A 1 70 ? 9.858 -2.179 -5.292 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 6 +ATOM 9141 H H . ILE A 1 70 ? 9.524 1.163 -2.977 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 6 +ATOM 9142 H HA . ILE A 1 70 ? 12.048 -0.097 -2.279 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 6 +ATOM 9143 H HB . ILE A 1 70 ? 10.850 0.375 -5.031 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 6 +ATOM 9144 H HG12 . ILE A 1 70 ? 10.703 -2.152 -3.367 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 6 +ATOM 9145 H HG13 . ILE A 1 70 ? 9.366 -1.029 -3.592 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 6 +ATOM 9146 H HG21 . ILE A 1 70 ? 12.415 -1.393 -5.716 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 6 +ATOM 9147 H HG22 . ILE A 1 70 ? 13.002 -1.515 -4.058 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 6 +ATOM 9148 H HG23 . ILE A 1 70 ? 13.270 -0.036 -4.981 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 6 +ATOM 9149 H HD11 . ILE A 1 70 ? 9.164 -2.968 -5.043 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 6 +ATOM 9150 H HD12 . ILE A 1 70 ? 10.742 -2.599 -5.747 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 6 +ATOM 9151 H HD13 . ILE A 1 70 ? 9.393 -1.490 -5.983 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 6 +ATOM 9152 N N . ASP A 1 71 ? 13.076 2.175 -2.384 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 6 +ATOM 9153 C CA . ASP A 1 71 ? 13.815 3.424 -2.539 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 6 +ATOM 9154 C C . ASP A 1 71 ? 14.801 3.308 -3.678 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 6 +ATOM 9155 O O . ASP A 1 71 ? 15.059 4.271 -4.392 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 6 +ATOM 9156 C CB . ASP A 1 71 ? 14.518 3.810 -1.241 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 6 +ATOM 9157 C CG . ASP A 1 71 ? 15.254 5.125 -1.350 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 6 +ATOM 9158 O OD1 . ASP A 1 71 ? 14.616 6.197 -1.239 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 6 +ATOM 9159 O OD2 . ASP A 1 71 ? 16.471 5.119 -1.545 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 6 +ATOM 9160 H H . ASP A 1 71 ? 13.200 1.635 -1.570 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 6 +ATOM 9161 H HA . ASP A 1 71 ? 13.098 4.190 -2.794 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 6 +ATOM 9162 H HB2 . ASP A 1 71 ? 13.788 3.892 -0.449 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 6 +ATOM 9163 H HB3 . ASP A 1 71 ? 15.232 3.040 -0.988 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 6 +ATOM 9164 N N . GLU A 1 72 ? 15.267 2.084 -3.886 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 6 +ATOM 9165 C CA . GLU A 1 72 ? 16.213 1.742 -4.944 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 6 +ATOM 9166 C C . GLU A 1 72 ? 15.658 2.133 -6.316 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 6 +ATOM 9167 O O . GLU A 1 72 ? 16.391 2.556 -7.196 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 6 +ATOM 9168 C CB . GLU A 1 72 ? 16.448 0.237 -4.961 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 6 +ATOM 9169 C CG . GLU A 1 72 ? 16.787 -0.379 -3.622 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 6 +ATOM 9170 C CD . GLU A 1 72 ? 16.987 -1.864 -3.740 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 6 +ATOM 9171 O OE1 . GLU A 1 72 ? 16.053 -2.571 -4.178 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 6 +ATOM 9172 O OE2 . GLU A 1 72 ? 18.092 -2.355 -3.455 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 6 +ATOM 9173 H H . GLU A 1 72 ? 14.970 1.388 -3.266 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 6 +ATOM 9174 H HA . GLU A 1 72 ? 17.153 2.240 -4.761 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 6 +ATOM 9175 H HB2 . GLU A 1 72 ? 15.557 -0.247 -5.330 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 6 +ATOM 9176 H HB3 . GLU A 1 72 ? 17.258 0.025 -5.644 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 6 +ATOM 9177 H HG2 . GLU A 1 72 ? 17.698 0.064 -3.251 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 6 +ATOM 9178 H HG3 . GLU A 1 72 ? 15.981 -0.192 -2.929 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 6 +ATOM 9179 N N . LYS A 1 73 ? 14.368 1.932 -6.503 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 6 +ATOM 9180 C CA . LYS A 1 73 ? 13.723 2.225 -7.774 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 6 +ATOM 9181 C C . LYS A 1 73 ? 12.825 3.449 -7.671 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 6 +ATOM 9182 O O . LYS A 1 73 ? 12.157 3.838 -8.639 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 6 +ATOM 9183 C CB . LYS A 1 73 ? 12.988 0.986 -8.281 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 6 +ATOM 9184 C CG . LYS A 1 73 ? 13.950 -0.164 -8.539 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 6 +ATOM 9185 C CD . LYS A 1 73 ? 13.258 -1.450 -8.919 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 6 +ATOM 9186 C CE . LYS A 1 73 ? 14.287 -2.553 -9.100 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 6 +ATOM 9187 N NZ . LYS A 1 73 ? 13.670 -3.866 -9.330 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 6 +ATOM 9188 H H . LYS A 1 73 ? 13.832 1.589 -5.758 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 6 +ATOM 9189 H HA . LYS A 1 73 ? 14.515 2.464 -8.468 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 6 +ATOM 9190 H HB2 . LYS A 1 73 ? 12.268 0.677 -7.537 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 6 +ATOM 9191 H HB3 . LYS A 1 73 ? 12.478 1.219 -9.204 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 6 +ATOM 9192 H HG2 . LYS A 1 73 ? 14.611 0.114 -9.345 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 6 +ATOM 9193 H HG3 . LYS A 1 73 ? 14.534 -0.325 -7.645 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 6 +ATOM 9194 H HD2 . LYS A 1 73 ? 12.568 -1.728 -8.135 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 6 +ATOM 9195 H HD3 . LYS A 1 73 ? 12.724 -1.309 -9.847 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 6 +ATOM 9196 H HE2 . LYS A 1 73 ? 14.902 -2.309 -9.954 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 6 +ATOM 9197 H HE3 . LYS A 1 73 ? 14.911 -2.600 -8.221 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 6 +ATOM 9198 H HZ1 . LYS A 1 73 ? 13.184 -3.911 -10.248 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 6 +ATOM 9199 H HZ2 . LYS A 1 73 ? 12.994 -4.101 -8.578 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 6 +ATOM 9200 H HZ3 . LYS A 1 73 ? 14.396 -4.609 -9.316 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 6 +ATOM 9201 N N . VAL A 1 74 ? 12.834 4.054 -6.473 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 6 +ATOM 9202 C CA . VAL A 1 74 ? 12.103 5.292 -6.150 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 6 +ATOM 9203 C C . VAL A 1 74 ? 10.574 5.067 -6.326 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 6 +ATOM 9204 O O . VAL A 1 74 ? 9.810 5.975 -6.650 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 6 +ATOM 9205 C CB . VAL A 1 74 ? 12.603 6.501 -7.034 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 6 +ATOM 9206 C CG1 . VAL A 1 74 ? 12.114 7.833 -6.485 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 6 +ATOM 9207 C CG2 . VAL A 1 74 ? 14.127 6.517 -7.161 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 6 +ATOM 9208 H H . VAL A 1 74 ? 13.362 3.646 -5.754 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 6 +ATOM 9209 H HA . VAL A 1 74 ? 12.291 5.509 -5.108 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 6 +ATOM 9210 H HB . VAL A 1 74 ? 12.180 6.382 -8.021 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 6 +ATOM 9211 H HG11 . VAL A 1 74 ? 12.501 8.629 -7.103 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 6 +ATOM 9212 H HG12 . VAL A 1 74 ? 12.467 7.959 -5.472 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 6 +ATOM 9213 H HG13 . VAL A 1 74 ? 11.035 7.856 -6.502 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 6 +ATOM 9214 H HG21 . VAL A 1 74 ? 14.577 6.595 -6.184 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 6 +ATOM 9215 H HG22 . VAL A 1 74 ? 14.429 7.365 -7.761 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 6 +ATOM 9216 H HG23 . VAL A 1 74 ? 14.456 5.607 -7.640 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 6 +ATOM 9217 N N . VAL A 1 75 ? 10.126 3.876 -6.032 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 6 +ATOM 9218 C CA . VAL A 1 75 ? 8.743 3.549 -6.241 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 6 +ATOM 9219 C C . VAL A 1 75 ? 8.146 2.853 -5.030 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 6 +ATOM 9220 O O . VAL A 1 75 ? 8.787 2.039 -4.373 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 6 +ATOM 9221 C CB . VAL A 1 75 ? 8.528 2.704 -7.545 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 6 +ATOM 9222 C CG1 . VAL A 1 75 ? 9.250 1.379 -7.491 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 6 +ATOM 9223 C CG2 . VAL A 1 75 ? 7.050 2.500 -7.872 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 6 +ATOM 9224 H H . VAL A 1 75 ? 10.723 3.215 -5.619 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 6 +ATOM 9225 H HA . VAL A 1 75 ? 8.222 4.488 -6.365 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 6 +ATOM 9226 H HB . VAL A 1 75 ? 8.972 3.267 -8.351 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 6 +ATOM 9227 H HG11 . VAL A 1 75 ? 9.048 0.843 -8.406 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 6 +ATOM 9228 H HG12 . VAL A 1 75 ? 8.893 0.813 -6.644 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 6 +ATOM 9229 H HG13 . VAL A 1 75 ? 10.311 1.556 -7.399 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 6 +ATOM 9230 H HG21 . VAL A 1 75 ? 6.960 1.916 -8.776 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 6 +ATOM 9231 H HG22 . VAL A 1 75 ? 6.574 3.459 -8.015 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 6 +ATOM 9232 H HG23 . VAL A 1 75 ? 6.573 1.977 -7.055 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 6 +ATOM 9233 N N . VAL A 1 76 ? 6.959 3.235 -4.730 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 6 +ATOM 9234 C CA . VAL A 1 76 ? 6.170 2.674 -3.700 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 6 +ATOM 9235 C C . VAL A 1 76 ? 5.232 1.683 -4.372 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 6 +ATOM 9236 O O . VAL A 1 76 ? 4.400 2.061 -5.214 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 6 +ATOM 9237 C CB . VAL A 1 76 ? 5.361 3.787 -2.989 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 6 +ATOM 9238 C CG1 . VAL A 1 76 ? 4.503 3.220 -1.895 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 6 +ATOM 9239 C CG2 . VAL A 1 76 ? 6.288 4.862 -2.437 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 6 +ATOM 9240 H H . VAL A 1 76 ? 6.545 3.954 -5.254 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 6 +ATOM 9241 H HA . VAL A 1 76 ? 6.805 2.167 -2.990 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 6 +ATOM 9242 H HB . VAL A 1 76 ? 4.716 4.249 -3.721 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 6 +ATOM 9243 H HG11 . VAL A 1 76 ? 3.954 4.017 -1.413 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 6 +ATOM 9244 H HG12 . VAL A 1 76 ? 5.128 2.721 -1.169 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 6 +ATOM 9245 H HG13 . VAL A 1 76 ? 3.806 2.508 -2.314 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 6 +ATOM 9246 H HG21 . VAL A 1 76 ? 6.991 4.414 -1.751 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 6 +ATOM 9247 H HG22 . VAL A 1 76 ? 5.705 5.608 -1.916 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 6 +ATOM 9248 H HG23 . VAL A 1 76 ? 6.826 5.324 -3.251 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 6 +ATOM 9249 N N . PHE A 1 77 ? 5.388 0.442 -4.045 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 6 +ATOM 9250 C CA . PHE A 1 77 ? 4.666 -0.606 -4.699 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 6 +ATOM 9251 C C . PHE A 1 77 ? 3.655 -1.212 -3.732 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 6 +ATOM 9252 O O . PHE A 1 77 ? 4.033 -1.795 -2.711 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 6 +ATOM 9253 C CB . PHE A 1 77 ? 5.669 -1.665 -5.178 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 6 +ATOM 9254 C CG . PHE A 1 77 ? 5.145 -2.616 -6.210 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 6 +ATOM 9255 C CD1 . PHE A 1 77 ? 4.432 -3.745 -5.855 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 6 +ATOM 9256 C CD2 . PHE A 1 77 ? 5.389 -2.381 -7.548 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 6 +ATOM 9257 C CE1 . PHE A 1 77 ? 3.972 -4.615 -6.819 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 6 +ATOM 9258 C CE2 . PHE A 1 77 ? 4.931 -3.246 -8.512 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 6 +ATOM 9259 C CZ . PHE A 1 77 ? 4.220 -4.365 -8.148 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 6 +ATOM 9260 H H . PHE A 1 77 ? 6.003 0.216 -3.312 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 6 +ATOM 9261 H HA . PHE A 1 77 ? 4.153 -0.199 -5.558 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 6 +ATOM 9262 H HB2 . PHE A 1 77 ? 6.528 -1.168 -5.600 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 6 +ATOM 9263 H HB3 . PHE A 1 77 ? 5.990 -2.243 -4.324 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 6 +ATOM 9264 H HD1 . PHE A 1 77 ? 4.233 -3.940 -4.811 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 6 +ATOM 9265 H HD2 . PHE A 1 77 ? 5.947 -1.502 -7.836 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 6 +ATOM 9266 H HE1 . PHE A 1 77 ? 3.417 -5.496 -6.533 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 6 +ATOM 9267 H HE2 . PHE A 1 77 ? 5.132 -3.041 -9.553 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 6 +ATOM 9268 H HZ . PHE A 1 77 ? 3.858 -5.047 -8.903 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 6 +ATOM 9269 N N . VAL A 1 78 ? 2.388 -1.049 -4.038 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 6 +ATOM 9270 C CA . VAL A 1 78 ? 1.311 -1.577 -3.217 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 6 +ATOM 9271 C C . VAL A 1 78 ? 1.240 -3.082 -3.385 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 6 +ATOM 9272 O O . VAL A 1 78 ? 1.111 -3.570 -4.499 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 6 +ATOM 9273 C CB . VAL A 1 78 ? -0.052 -0.937 -3.588 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 6 +ATOM 9274 C CG1 . VAL A 1 78 ? -1.186 -1.499 -2.733 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 6 +ATOM 9275 C CG2 . VAL A 1 78 ? 0.022 0.580 -3.462 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 6 +ATOM 9276 H H . VAL A 1 78 ? 2.174 -0.564 -4.868 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 6 +ATOM 9277 H HA . VAL A 1 78 ? 1.539 -1.356 -2.185 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 6 +ATOM 9278 H HB . VAL A 1 78 ? -0.264 -1.181 -4.617 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 6 +ATOM 9279 H HG11 . VAL A 1 78 ? -2.114 -1.014 -2.997 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 6 +ATOM 9280 H HG12 . VAL A 1 78 ? -0.969 -1.335 -1.688 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 6 +ATOM 9281 H HG13 . VAL A 1 78 ? -1.273 -2.561 -2.911 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 6 +ATOM 9282 H HG21 . VAL A 1 78 ? 0.750 0.959 -4.163 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 6 +ATOM 9283 H HG22 . VAL A 1 78 ? 0.330 0.846 -2.463 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 6 +ATOM 9284 H HG23 . VAL A 1 78 ? -0.944 1.012 -3.678 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 6 +ATOM 9285 N N . ILE A 1 79 ? 1.329 -3.801 -2.289 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 6 +ATOM 9286 C CA . ILE A 1 79 ? 1.359 -5.251 -2.343 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 6 +ATOM 9287 C C . ILE A 1 79 ? -0.022 -5.823 -2.060 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 6 +ATOM 9288 O O . ILE A 1 79 ? -0.473 -6.762 -2.726 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 6 +ATOM 9289 C CB . ILE A 1 79 ? 2.340 -5.826 -1.289 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 6 +ATOM 9290 C CG1 . ILE A 1 79 ? 3.724 -5.182 -1.423 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 6 +ATOM 9291 C CG2 . ILE A 1 79 ? 2.453 -7.344 -1.440 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 6 +ATOM 9292 C CD1 . ILE A 1 79 ? 4.688 -5.602 -0.338 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 6 +ATOM 9293 H H . ILE A 1 79 ? 1.360 -3.355 -1.415 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 6 +ATOM 9294 H HA . ILE A 1 79 ? 1.691 -5.557 -3.324 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 6 +ATOM 9295 H HB . ILE A 1 79 ? 1.947 -5.612 -0.306 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 6 +ATOM 9296 H HG12 . ILE A 1 79 ? 4.156 -5.463 -2.373 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 6 +ATOM 9297 H HG13 . ILE A 1 79 ? 3.619 -4.108 -1.381 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 6 +ATOM 9298 H HG21 . ILE A 1 79 ? 2.804 -7.581 -2.433 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 6 +ATOM 9299 H HG22 . ILE A 1 79 ? 1.486 -7.798 -1.278 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 6 +ATOM 9300 H HG23 . ILE A 1 79 ? 3.157 -7.720 -0.712 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 6 +ATOM 9301 H HD11 . ILE A 1 79 ? 4.314 -5.274 0.620 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 6 +ATOM 9302 H HD12 . ILE A 1 79 ? 5.661 -5.171 -0.523 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 6 +ATOM 9303 H HD13 . ILE A 1 79 ? 4.764 -6.680 -0.337 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 6 +ATOM 9304 N N . SER A 1 80 ? -0.693 -5.263 -1.081 1.00 0.00 ? ? ? ? ? ? 77 SER A N 6 +ATOM 9305 C CA . SER A 1 80 ? -1.983 -5.761 -0.668 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 6 +ATOM 9306 C C . SER A 1 80 ? -2.860 -4.611 -0.193 1.00 0.00 ? ? ? ? ? ? 77 SER A C 6 +ATOM 9307 O O . SER A 1 80 ? -2.360 -3.626 0.372 1.00 0.00 ? ? ? ? ? ? 77 SER A O 6 +ATOM 9308 C CB . SER A 1 80 ? -1.794 -6.793 0.451 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 6 +ATOM 9309 O OG . SER A 1 80 ? -0.952 -7.850 0.024 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 6 +ATOM 9310 H H . SER A 1 80 ? -0.332 -4.487 -0.599 1.00 0.00 ? ? ? ? ? ? 77 SER A H 6 +ATOM 9311 H HA . SER A 1 80 ? -2.449 -6.244 -1.512 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 6 +ATOM 9312 H HB2 . SER A 1 80 ? -1.332 -6.312 1.301 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 6 +ATOM 9313 H HB3 . SER A 1 80 ? -2.752 -7.200 0.738 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 6 +ATOM 9314 H HG . SER A 1 80 ? -0.883 -7.783 -0.935 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 6 +ATOM 9315 N N . VAL A 1 81 ? -4.140 -4.719 -0.442 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 6 +ATOM 9316 C CA . VAL A 1 81 ? -5.089 -3.708 -0.057 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 6 +ATOM 9317 C C . VAL A 1 81 ? -6.439 -4.371 0.240 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 6 +ATOM 9318 O O . VAL A 1 81 ? -6.806 -5.350 -0.413 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 6 +ATOM 9319 C CB . VAL A 1 81 ? -5.225 -2.604 -1.166 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 6 +ATOM 9320 C CG1 . VAL A 1 81 ? -5.696 -3.175 -2.497 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 6 +ATOM 9321 C CG2 . VAL A 1 81 ? -6.132 -1.476 -0.718 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 6 +ATOM 9322 H H . VAL A 1 81 ? -4.495 -5.516 -0.891 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 6 +ATOM 9323 H HA . VAL A 1 81 ? -4.726 -3.251 0.853 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 6 +ATOM 9324 H HB . VAL A 1 81 ? -4.238 -2.196 -1.330 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 6 +ATOM 9325 H HG11 . VAL A 1 81 ? -6.663 -3.637 -2.365 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 6 +ATOM 9326 H HG12 . VAL A 1 81 ? -4.989 -3.917 -2.839 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 6 +ATOM 9327 H HG13 . VAL A 1 81 ? -5.771 -2.382 -3.226 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 6 +ATOM 9328 H HG21 . VAL A 1 81 ? -5.728 -1.024 0.177 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 6 +ATOM 9329 H HG22 . VAL A 1 81 ? -7.117 -1.866 -0.510 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 6 +ATOM 9330 H HG23 . VAL A 1 81 ? -6.196 -0.732 -1.499 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 6 +ATOM 9331 N N . GLY A 1 82 ? -7.120 -3.890 1.251 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 6 +ATOM 9332 C CA . GLY A 1 82 ? -8.417 -4.410 1.610 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 6 +ATOM 9333 C C . GLY A 1 82 ? -8.640 -4.218 3.078 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 6 +ATOM 9334 O O . GLY A 1 82 ? -8.077 -3.296 3.664 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 6 +ATOM 9335 H H . GLY A 1 82 ? -6.737 -3.179 1.812 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 6 +ATOM 9336 H HA2 . GLY A 1 82 ? -9.179 -3.885 1.055 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 6 +ATOM 9337 H HA3 . GLY A 1 82 ? -8.458 -5.464 1.382 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 6 +ATOM 9338 N N . LYS A 1 83 ? -9.439 -5.044 3.691 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 6 +ATOM 9339 C CA . LYS A 1 83 ? -9.600 -4.948 5.118 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 6 +ATOM 9340 C C . LYS A 1 83 ? -8.596 -5.852 5.749 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 6 +ATOM 9341 O O . LYS A 1 83 ? -8.229 -6.883 5.168 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 6 +ATOM 9342 C CB . LYS A 1 83 ? -10.997 -5.348 5.605 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 6 +ATOM 9343 C CG . LYS A 1 83 ? -12.151 -4.588 4.977 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 6 +ATOM 9344 C CD . LYS A 1 83 ? -13.469 -4.844 5.720 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 6 +ATOM 9345 C CE . LYS A 1 83 ? -13.785 -6.332 5.859 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 6 +ATOM 9346 N NZ . LYS A 1 83 ? -13.942 -7.012 4.561 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 6 +ATOM 9347 H H . LYS A 1 83 ? -9.897 -5.752 3.191 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 6 +ATOM 9348 H HA . LYS A 1 83 ? -9.386 -3.933 5.415 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 6 +ATOM 9349 H HB2 . LYS A 1 83 ? -11.141 -6.397 5.403 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 6 +ATOM 9350 H HB3 . LYS A 1 83 ? -11.036 -5.199 6.675 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 6 +ATOM 9351 H HG2 . LYS A 1 83 ? -11.931 -3.531 5.007 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 6 +ATOM 9352 H HG3 . LYS A 1 83 ? -12.259 -4.905 3.951 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 6 +ATOM 9353 H HD2 . LYS A 1 83 ? -13.400 -4.417 6.709 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 6 +ATOM 9354 H HD3 . LYS A 1 83 ? -14.271 -4.362 5.178 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 6 +ATOM 9355 H HE2 . LYS A 1 83 ? -12.988 -6.814 6.406 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 6 +ATOM 9356 H HE3 . LYS A 1 83 ? -14.701 -6.435 6.421 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 6 +ATOM 9357 H HZ1 . LYS A 1 83 ? -13.145 -6.803 3.928 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 6 +ATOM 9358 H HZ2 . LYS A 1 83 ? -14.829 -6.752 4.086 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 6 +ATOM 9359 H HZ3 . LYS A 1 83 ? -13.933 -8.039 4.744 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 6 +ATOM 9360 N N . ALA A 1 84 ? -8.134 -5.504 6.911 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 6 +ATOM 9361 C CA . ALA A 1 84 ? -7.208 -6.353 7.589 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 6 +ATOM 9362 C C . ALA A 1 84 ? -7.969 -7.392 8.378 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 6 +ATOM 9363 O O . ALA A 1 84 ? -8.087 -7.309 9.604 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 6 +ATOM 9364 C CB . ALA A 1 84 ? -6.242 -5.574 8.462 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 6 +ATOM 9365 H H . ALA A 1 84 ? -8.453 -4.678 7.330 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 6 +ATOM 9366 H HA . ALA A 1 84 ? -6.648 -6.872 6.824 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 6 +ATOM 9367 H HB1 . ALA A 1 84 ? -6.799 -5.094 9.252 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 6 +ATOM 9368 H HB2 . ALA A 1 84 ? -5.734 -4.831 7.866 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 6 +ATOM 9369 H HB3 . ALA A 1 84 ? -5.517 -6.250 8.893 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 6 +ATOM 9370 N N . GLU A 1 85 ? -8.547 -8.305 7.653 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 6 +ATOM 9371 C CA . GLU A 1 85 ? -9.299 -9.391 8.198 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 6 +ATOM 9372 C C . GLU A 1 85 ? -8.448 -10.641 8.157 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 6 +ATOM 9373 O O . GLU A 1 85 ? -7.842 -10.953 7.118 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 6 +ATOM 9374 C CB . GLU A 1 85 ? -10.638 -9.559 7.431 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 6 +ATOM 9375 C CG . GLU A 1 85 ? -10.487 -9.620 5.912 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 6 +ATOM 9376 C CD . GLU A 1 85 ? -11.802 -9.683 5.153 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 6 +ATOM 9377 O OE1 . GLU A 1 85 ? -12.875 -9.408 5.719 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 6 +ATOM 9378 O OE2 . GLU A 1 85 ? -11.778 -9.943 3.938 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 6 +ATOM 9379 H H . GLU A 1 85 ? -8.462 -8.244 6.676 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 6 +ATOM 9380 H HA . GLU A 1 85 ? -9.509 -9.147 9.227 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 6 +ATOM 9381 H HB2 . GLU A 1 85 ? -11.110 -10.475 7.756 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 6 +ATOM 9382 H HB3 . GLU A 1 85 ? -11.287 -8.731 7.674 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 6 +ATOM 9383 H HG2 . GLU A 1 85 ? -9.957 -8.737 5.584 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 6 +ATOM 9384 H HG3 . GLU A 1 85 ? -9.901 -10.492 5.662 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 6 +ATOM 9385 N N . ALA A 1 86 ? -8.296 -11.276 9.322 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 6 +ATOM 9386 C CA . ALA A 1 86 ? -7.527 -12.529 9.485 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 6 +ATOM 9387 C C . ALA A 1 86 ? -6.051 -12.367 9.083 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 6 +ATOM 9388 O O . ALA A 1 86 ? -5.345 -13.349 8.874 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 6 +ATOM 9389 C CB . ALA A 1 86 ? -8.183 -13.674 8.712 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 6 +ATOM 9390 H H . ALA A 1 86 ? -8.729 -10.890 10.115 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 6 +ATOM 9391 H HA . ALA A 1 86 ? -7.551 -12.775 10.537 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 6 +ATOM 9392 H HB1 . ALA A 1 86 ? -7.662 -14.596 8.919 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 6 +ATOM 9393 H HB2 . ALA A 1 86 ? -8.139 -13.465 7.654 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 6 +ATOM 9394 H HB3 . ALA A 1 86 ? -9.215 -13.765 9.016 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 6 +ATOM 9395 N N . SER A 1 87 ? -5.595 -11.111 9.021 1.00 0.00 ? ? ? ? ? ? 84 SER A N 6 +ATOM 9396 C CA . SER A 1 87 ? -4.228 -10.752 8.653 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 6 +ATOM 9397 C C . SER A 1 87 ? -3.876 -11.222 7.224 1.00 0.00 ? ? ? ? ? ? 84 SER A C 6 +ATOM 9398 O O . SER A 1 87 ? -2.701 -11.486 6.912 1.00 0.00 ? ? ? ? ? ? 84 SER A O 6 +ATOM 9399 C CB . SER A 1 87 ? -3.253 -11.304 9.698 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 6 +ATOM 9400 O OG . SER A 1 87 ? -3.655 -10.884 11.005 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 6 +ATOM 9401 H H . SER A 1 87 ? -6.219 -10.393 9.257 1.00 0.00 ? ? ? ? ? ? 84 SER A H 6 +ATOM 9402 H HA . SER A 1 87 ? -4.174 -9.673 8.666 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 6 +ATOM 9403 H HB2 . SER A 1 87 ? -3.251 -12.383 9.653 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 6 +ATOM 9404 H HB3 . SER A 1 87 ? -2.257 -10.931 9.502 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 6 +ATOM 9405 H HG . SER A 1 87 ? -4.252 -10.131 10.897 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 6 +ATOM 9406 N N . GLU A 1 88 ? -4.892 -11.224 6.345 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 6 +ATOM 9407 C CA . GLU A 1 88 ? -4.748 -11.642 4.944 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 6 +ATOM 9408 C C . GLU A 1 88 ? -3.683 -10.798 4.243 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 6 +ATOM 9409 O O . GLU A 1 88 ? -2.704 -11.324 3.704 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 6 +ATOM 9410 C CB . GLU A 1 88 ? -6.088 -11.413 4.231 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 6 +ATOM 9411 C CG . GLU A 1 88 ? -6.153 -11.911 2.793 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 6 +ATOM 9412 C CD . GLU A 1 88 ? -6.194 -13.410 2.707 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 6 +ATOM 9413 O OE1 . GLU A 1 88 ? -5.132 -14.058 2.671 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 6 +ATOM 9414 O OE2 . GLU A 1 88 ? -7.302 -13.980 2.691 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 6 +ATOM 9415 H H . GLU A 1 88 ? -5.792 -10.982 6.658 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 6 +ATOM 9416 H HA . GLU A 1 88 ? -4.497 -12.689 4.887 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 6 +ATOM 9417 H HB2 . GLU A 1 88 ? -6.861 -11.915 4.794 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 6 +ATOM 9418 H HB3 . GLU A 1 88 ? -6.297 -10.353 4.234 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 6 +ATOM 9419 H HG2 . GLU A 1 88 ? -7.042 -11.516 2.325 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 6 +ATOM 9420 H HG3 . GLU A 1 88 ? -5.281 -11.556 2.265 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 6 +ATOM 9421 N N . VAL A 1 89 ? -3.836 -9.487 4.360 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 6 +ATOM 9422 C CA . VAL A 1 89 ? -2.968 -8.516 3.693 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 6 +ATOM 9423 C C . VAL A 1 89 ? -1.526 -8.530 4.216 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 6 +ATOM 9424 O O . VAL A 1 89 ? -0.638 -8.011 3.576 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 6 +ATOM 9425 C CB . VAL A 1 89 ? -3.550 -7.072 3.760 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 6 +ATOM 9426 C CG1 . VAL A 1 89 ? -4.879 -6.993 3.022 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 6 +ATOM 9427 C CG2 . VAL A 1 89 ? -3.719 -6.609 5.206 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 6 +ATOM 9428 H H . VAL A 1 89 ? -4.586 -9.159 4.894 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 6 +ATOM 9429 H HA . VAL A 1 89 ? -2.936 -8.807 2.653 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 6 +ATOM 9430 H HB . VAL A 1 89 ? -2.853 -6.412 3.265 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 6 +ATOM 9431 H HG11 . VAL A 1 89 ? -4.736 -7.263 1.986 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 6 +ATOM 9432 H HG12 . VAL A 1 89 ? -5.266 -5.987 3.078 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 6 +ATOM 9433 H HG13 . VAL A 1 89 ? -5.582 -7.674 3.478 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 6 +ATOM 9434 H HG21 . VAL A 1 89 ? -2.759 -6.622 5.701 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 6 +ATOM 9435 H HG22 . VAL A 1 89 ? -4.396 -7.274 5.721 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 6 +ATOM 9436 H HG23 . VAL A 1 89 ? -4.118 -5.605 5.222 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 6 +ATOM 9437 N N . TYR A 1 90 ? -1.305 -9.107 5.377 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 6 +ATOM 9438 C CA . TYR A 1 90 ? 0.043 -9.173 5.912 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 6 +ATOM 9439 C C . TYR A 1 90 ? 0.712 -10.467 5.490 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 6 +ATOM 9440 O O . TYR A 1 90 ? 1.870 -10.476 5.068 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 6 +ATOM 9441 C CB . TYR A 1 90 ? 0.055 -9.034 7.439 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 6 +ATOM 9442 C CG . TYR A 1 90 ? -0.485 -7.711 7.942 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 6 +ATOM 9443 C CD1 . TYR A 1 90 ? 0.312 -6.575 7.945 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 6 +ATOM 9444 C CD2 . TYR A 1 90 ? -1.787 -7.599 8.413 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 6 +ATOM 9445 C CE1 . TYR A 1 90 ? -0.170 -5.365 8.400 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 6 +ATOM 9446 C CE2 . TYR A 1 90 ? -2.277 -6.392 8.872 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 6 +ATOM 9447 C CZ . TYR A 1 90 ? -1.465 -5.278 8.863 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 6 +ATOM 9448 O OH . TYR A 1 90 ? -1.952 -4.065 9.311 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 6 +ATOM 9449 H H . TYR A 1 90 ? -2.052 -9.513 5.861 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 6 +ATOM 9450 H HA . TYR A 1 90 ? 0.597 -8.352 5.480 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 6 +ATOM 9451 H HB2 . TYR A 1 90 ? -0.533 -9.828 7.871 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 6 +ATOM 9452 H HB3 . TYR A 1 90 ? 1.073 -9.128 7.786 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 6 +ATOM 9453 H HD1 . TYR A 1 90 ? 1.327 -6.644 7.581 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 6 +ATOM 9454 H HD2 . TYR A 1 90 ? -2.420 -8.473 8.420 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 6 +ATOM 9455 H HE1 . TYR A 1 90 ? 0.466 -4.493 8.394 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 6 +ATOM 9456 H HE2 . TYR A 1 90 ? -3.292 -6.324 9.236 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 6 +ATOM 9457 H HH . TYR A 1 90 ? -1.673 -3.396 8.678 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 6 +ATOM 9458 N N . SER A 1 91 ? -0.047 -11.546 5.551 1.00 0.00 ? ? ? ? ? ? 88 SER A N 6 +ATOM 9459 C CA . SER A 1 91 ? 0.466 -12.863 5.267 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 6 +ATOM 9460 C C . SER A 1 91 ? 0.835 -13.034 3.785 1.00 0.00 ? ? ? ? ? ? 88 SER A C 6 +ATOM 9461 O O . SER A 1 91 ? 1.920 -13.538 3.466 1.00 0.00 ? ? ? ? ? ? 88 SER A O 6 +ATOM 9462 C CB . SER A 1 91 ? -0.547 -13.918 5.718 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 6 +ATOM 9463 O OG . SER A 1 91 ? -0.886 -13.737 7.099 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 6 +ATOM 9464 H H . SER A 1 91 ? -0.992 -11.457 5.793 1.00 0.00 ? ? ? ? ? ? 88 SER A H 6 +ATOM 9465 H HA . SER A 1 91 ? 1.368 -12.995 5.845 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 6 +ATOM 9466 H HB2 . SER A 1 91 ? -1.444 -13.809 5.129 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 6 +ATOM 9467 H HB3 . SER A 1 91 ? -0.130 -14.905 5.585 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 6 +ATOM 9468 H HG . SER A 1 91 ? -1.655 -13.150 7.119 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 6 +ATOM 9469 N N . GLU A 1 92 ? -0.032 -12.588 2.878 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 6 +ATOM 9470 C CA . GLU A 1 92 ? 0.268 -12.750 1.464 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 6 +ATOM 9471 C C . GLU A 1 92 ? 1.371 -11.807 1.015 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 6 +ATOM 9472 O O . GLU A 1 92 ? 2.136 -12.125 0.098 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 6 +ATOM 9473 C CB . GLU A 1 92 ? -0.959 -12.621 0.569 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 6 +ATOM 9474 C CG . GLU A 1 92 ? -1.651 -11.274 0.569 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 6 +ATOM 9475 C CD . GLU A 1 92 ? -2.683 -11.205 -0.522 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 6 +ATOM 9476 O OE1 . GLU A 1 92 ? -2.343 -10.791 -1.649 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 6 +ATOM 9477 O OE2 . GLU A 1 92 ? -3.837 -11.611 -0.303 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 6 +ATOM 9478 H H . GLU A 1 92 ? -0.871 -12.152 3.152 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 6 +ATOM 9479 H HA . GLU A 1 92 ? 0.662 -13.751 1.366 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 6 +ATOM 9480 H HB2 . GLU A 1 92 ? -0.657 -12.822 -0.446 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 6 +ATOM 9481 H HB3 . GLU A 1 92 ? -1.672 -13.368 0.881 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 6 +ATOM 9482 H HG2 . GLU A 1 92 ? -2.135 -11.125 1.524 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 6 +ATOM 9483 H HG3 . GLU A 1 92 ? -0.917 -10.498 0.407 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 6 +ATOM 9484 N N . ALA A 1 93 ? 1.455 -10.664 1.671 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 6 +ATOM 9485 C CA . ALA A 1 93 ? 2.467 -9.668 1.374 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 6 +ATOM 9486 C C . ALA A 1 93 ? 3.858 -10.233 1.595 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 6 +ATOM 9487 O O . ALA A 1 93 ? 4.702 -10.197 0.695 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 6 +ATOM 9488 C CB . ALA A 1 93 ? 2.259 -8.421 2.220 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 6 +ATOM 9489 H H . ALA A 1 93 ? 0.787 -10.490 2.364 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 6 +ATOM 9490 H HA . ALA A 1 93 ? 2.361 -9.397 0.334 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 6 +ATOM 9491 H HB1 . ALA A 1 93 ? 2.985 -7.671 1.944 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 6 +ATOM 9492 H HB2 . ALA A 1 93 ? 2.383 -8.672 3.263 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 6 +ATOM 9493 H HB3 . ALA A 1 93 ? 1.263 -8.034 2.058 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 6 +ATOM 9494 N N . VAL A 1 94 ? 4.083 -10.797 2.774 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 6 +ATOM 9495 C CA . VAL A 1 94 ? 5.380 -11.356 3.105 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 6 +ATOM 9496 C C . VAL A 1 94 ? 5.727 -12.572 2.221 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 6 +ATOM 9497 O O . VAL A 1 94 ? 6.850 -12.681 1.720 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 6 +ATOM 9498 C CB . VAL A 1 94 ? 5.527 -11.669 4.634 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 6 +ATOM 9499 C CG1 . VAL A 1 94 ? 4.470 -12.630 5.144 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 6 +ATOM 9500 C CG2 . VAL A 1 94 ? 6.913 -12.178 4.955 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 6 +ATOM 9501 H H . VAL A 1 94 ? 3.358 -10.816 3.436 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 6 +ATOM 9502 H HA . VAL A 1 94 ? 6.098 -10.589 2.847 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 6 +ATOM 9503 H HB . VAL A 1 94 ? 5.388 -10.738 5.167 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 6 +ATOM 9504 H HG11 . VAL A 1 94 ? 4.621 -12.810 6.198 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 6 +ATOM 9505 H HG12 . VAL A 1 94 ? 4.545 -13.561 4.603 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 6 +ATOM 9506 H HG13 . VAL A 1 94 ? 3.491 -12.203 4.987 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 6 +ATOM 9507 H HG21 . VAL A 1 94 ? 7.122 -13.060 4.369 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 6 +ATOM 9508 H HG22 . VAL A 1 94 ? 6.953 -12.425 6.005 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 6 +ATOM 9509 H HG23 . VAL A 1 94 ? 7.639 -11.410 4.738 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 6 +ATOM 9510 N N . LYS A 1 95 ? 4.740 -13.436 1.960 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 6 +ATOM 9511 C CA . LYS A 1 95 ? 4.968 -14.619 1.117 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 6 +ATOM 9512 C C . LYS A 1 95 ? 5.222 -14.269 -0.344 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 6 +ATOM 9513 O O . LYS A 1 95 ? 5.744 -15.095 -1.101 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 6 +ATOM 9514 C CB . LYS A 1 95 ? 3.839 -15.658 1.210 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 6 +ATOM 9515 C CG . LYS A 1 95 ? 4.008 -16.716 2.298 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 6 +ATOM 9516 C CD . LYS A 1 95 ? 3.869 -16.160 3.698 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 6 +ATOM 9517 C CE . LYS A 1 95 ? 4.026 -17.256 4.745 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 6 +ATOM 9518 N NZ . LYS A 1 95 ? 3.094 -18.390 4.523 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 6 +ATOM 9519 H H . LYS A 1 95 ? 3.852 -13.274 2.347 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 6 +ATOM 9520 H HA . LYS A 1 95 ? 5.873 -15.076 1.488 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 6 +ATOM 9521 H HB2 . LYS A 1 95 ? 2.918 -15.130 1.412 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 6 +ATOM 9522 H HB3 . LYS A 1 95 ? 3.747 -16.159 0.257 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 6 +ATOM 9523 H HG2 . LYS A 1 95 ? 3.266 -17.488 2.156 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 6 +ATOM 9524 H HG3 . LYS A 1 95 ? 4.990 -17.153 2.188 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 6 +ATOM 9525 H HD2 . LYS A 1 95 ? 4.646 -15.426 3.849 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 6 +ATOM 9526 H HD3 . LYS A 1 95 ? 2.900 -15.696 3.806 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 6 +ATOM 9527 H HE2 . LYS A 1 95 ? 5.040 -17.625 4.715 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 6 +ATOM 9528 H HE3 . LYS A 1 95 ? 3.832 -16.826 5.716 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 6 +ATOM 9529 H HZ1 . LYS A 1 95 ? 3.316 -18.892 3.641 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 6 +ATOM 9530 H HZ2 . LYS A 1 95 ? 2.105 -18.070 4.469 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 6 +ATOM 9531 H HZ3 . LYS A 1 95 ? 3.152 -19.073 5.304 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 6 +ATOM 9532 N N . ARG A 1 96 ? 4.868 -13.070 -0.748 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 6 +ATOM 9533 C CA . ARG A 1 96 ? 5.078 -12.667 -2.121 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 6 +ATOM 9534 C C . ARG A 1 96 ? 6.535 -12.266 -2.319 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 6 +ATOM 9535 O O . ARG A 1 96 ? 7.084 -12.382 -3.410 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 6 +ATOM 9536 C CB . ARG A 1 96 ? 4.202 -11.479 -2.481 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 6 +ATOM 9537 C CG . ARG A 1 96 ? 4.098 -11.234 -3.978 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 6 +ATOM 9538 C CD . ARG A 1 96 ? 3.830 -9.788 -4.271 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 6 +ATOM 9539 N NE . ARG A 1 96 ? 4.992 -8.991 -3.906 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 6 +ATOM 9540 C CZ . ARG A 1 96 ? 5.138 -7.693 -4.081 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 6 +ATOM 9541 N NH1 . ARG A 1 96 ? 4.211 -6.988 -4.714 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 6 +ATOM 9542 N NH2 . ARG A 1 96 ? 6.264 -7.124 -3.688 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 6 +ATOM 9543 H H . ARG A 1 96 ? 4.449 -12.448 -0.113 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 6 +ATOM 9544 H HA . ARG A 1 96 ? 4.843 -13.494 -2.770 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 6 +ATOM 9545 H HB2 . ARG A 1 96 ? 3.211 -11.638 -2.084 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 6 +ATOM 9546 H HB3 . ARG A 1 96 ? 4.619 -10.593 -2.024 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 6 +ATOM 9547 H HG2 . ARG A 1 96 ? 5.029 -11.518 -4.448 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 6 +ATOM 9548 H HG3 . ARG A 1 96 ? 3.294 -11.830 -4.381 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 6 +ATOM 9549 H HD2 . ARG A 1 96 ? 3.625 -9.670 -5.325 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 6 +ATOM 9550 H HD3 . ARG A 1 96 ? 2.980 -9.460 -3.691 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 6 +ATOM 9551 H HE . ARG A 1 96 ? 5.732 -9.506 -3.511 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 6 +ATOM 9552 H HH11 . ARG A 1 96 ? 3.378 -7.425 -5.090 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 6 +ATOM 9553 H HH12 . ARG A 1 96 ? 4.281 -6.003 -4.871 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 6 +ATOM 9554 H HH21 . ARG A 1 96 ? 6.989 -7.683 -3.277 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 6 +ATOM 9555 H HH22 . ARG A 1 96 ? 6.495 -6.146 -3.769 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 6 +ATOM 9556 N N . ILE A 1 97 ? 7.145 -11.805 -1.260 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 6 +ATOM 9557 C CA . ILE A 1 97 ? 8.494 -11.295 -1.325 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 6 +ATOM 9558 C C . ILE A 1 97 ? 9.492 -12.391 -0.994 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 6 +ATOM 9559 O O . ILE A 1 97 ? 10.299 -12.788 -1.843 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 6 +ATOM 9560 C CB . ILE A 1 97 ? 8.668 -10.102 -0.357 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 6 +ATOM 9561 C CG1 . ILE A 1 97 ? 7.615 -9.034 -0.672 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 6 +ATOM 9562 C CG2 . ILE A 1 97 ? 10.080 -9.516 -0.474 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 6 +ATOM 9563 C CD1 . ILE A 1 97 ? 7.575 -7.896 0.310 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 6 +ATOM 9564 H H . ILE A 1 97 ? 6.687 -11.832 -0.393 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 6 +ATOM 9565 H HA . ILE A 1 97 ? 8.677 -10.951 -2.332 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 6 +ATOM 9566 H HB . ILE A 1 97 ? 8.520 -10.451 0.653 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 6 +ATOM 9567 H HG12 . ILE A 1 97 ? 7.819 -8.615 -1.646 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 6 +ATOM 9568 H HG13 . ILE A 1 97 ? 6.640 -9.500 -0.687 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 6 +ATOM 9569 H HG21 . ILE A 1 97 ? 10.808 -10.276 -0.229 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 6 +ATOM 9570 H HG22 . ILE A 1 97 ? 10.184 -8.683 0.206 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 6 +ATOM 9571 H HG23 . ILE A 1 97 ? 10.242 -9.174 -1.485 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 6 +ATOM 9572 H HD11 . ILE A 1 97 ? 6.807 -7.202 0.008 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 6 +ATOM 9573 H HD12 . ILE A 1 97 ? 8.534 -7.403 0.324 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 6 +ATOM 9574 H HD13 . ILE A 1 97 ? 7.340 -8.290 1.288 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 6 +ATOM 9575 N N . LEU A 1 98 ? 9.418 -12.888 0.210 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 6 +ATOM 9576 C CA . LEU A 1 98 ? 10.311 -13.906 0.666 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 6 +ATOM 9577 C C . LEU A 1 98 ? 9.624 -14.679 1.762 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 6 +ATOM 9578 O O . LEU A 1 98 ? 9.635 -14.220 2.925 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 6 +ATOM 9579 C CB . LEU A 1 98 ? 11.636 -13.286 1.160 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 6 +ATOM 9580 C CG . LEU A 1 98 ? 12.726 -14.260 1.617 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 6 +ATOM 9581 C CD1 . LEU A 1 98 ? 13.121 -15.186 0.488 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 6 +ATOM 9582 C CD2 . LEU A 1 98 ? 13.937 -13.497 2.119 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 6 +ATOM 9583 O OXT . LEU A 1 98 ? 9.036 -15.741 1.467 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 6 +ATOM 9584 H H . LEU A 1 98 ? 8.731 -12.588 0.848 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 6 +ATOM 9585 H HA . LEU A 1 98 ? 10.513 -14.567 -0.164 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 6 +ATOM 9586 H HB2 . LEU A 1 98 ? 12.042 -12.689 0.358 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 6 +ATOM 9587 H HB3 . LEU A 1 98 ? 11.416 -12.626 1.985 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 6 +ATOM 9588 H HG . LEU A 1 98 ? 12.348 -14.865 2.428 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 6 +ATOM 9589 H HD11 . LEU A 1 98 ? 13.931 -15.821 0.813 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 6 +ATOM 9590 H HD12 . LEU A 1 98 ? 13.443 -14.598 -0.358 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 6 +ATOM 9591 H HD13 . LEU A 1 98 ? 12.277 -15.797 0.206 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 6 +ATOM 9592 H HD21 . LEU A 1 98 ? 14.700 -14.197 2.427 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 6 +ATOM 9593 H HD22 . LEU A 1 98 ? 13.654 -12.878 2.957 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 6 +ATOM 9594 H HD23 . LEU A 1 98 ? 14.324 -12.872 1.327 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 6 +ATOM 9595 N N . MET A 1 4 ? 11.414 15.443 -2.175 1.00 0.00 ? ? ? ? ? ? 1 MET A N 7 +ATOM 9596 C CA . MET A 1 4 ? 11.627 14.279 -3.021 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 7 +ATOM 9597 C C . MET A 1 4 ? 10.356 13.483 -3.052 1.00 0.00 ? ? ? ? ? ? 1 MET A C 7 +ATOM 9598 O O . MET A 1 4 ? 9.664 13.390 -2.044 1.00 0.00 ? ? ? ? ? ? 1 MET A O 7 +ATOM 9599 C CB . MET A 1 4 ? 12.775 13.418 -2.483 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 7 +ATOM 9600 C CG . MET A 1 4 ? 13.137 12.223 -3.356 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 7 +ATOM 9601 S SD . MET A 1 4 ? 13.632 12.710 -5.016 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 7 +ATOM 9602 C CE . MET A 1 4 ? 14.038 11.115 -5.721 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 7 +ATOM 9603 H H . MET A 1 4 ? 11.124 15.131 -1.227 1.00 0.00 ? ? ? ? ? ? 1 MET A H 7 +ATOM 9604 H HA . MET A 1 4 ? 11.857 14.610 -4.024 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 7 +ATOM 9605 H HB2 . MET A 1 4 ? 13.653 14.035 -2.383 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 7 +ATOM 9606 H HB3 . MET A 1 4 ? 12.482 13.046 -1.513 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 7 +ATOM 9607 H HG2 . MET A 1 4 ? 13.954 11.686 -2.898 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 7 +ATOM 9608 H HG3 . MET A 1 4 ? 12.275 11.575 -3.428 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 7 +ATOM 9609 H HE1 . MET A 1 4 ? 14.357 11.245 -6.744 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 7 +ATOM 9610 H HE2 . MET A 1 4 ? 13.168 10.476 -5.694 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 7 +ATOM 9611 H HE3 . MET A 1 4 ? 14.836 10.661 -5.151 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 7 +ATOM 9612 N N . ALA A 1 5 ? 10.038 12.940 -4.187 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 7 +ATOM 9613 C CA . ALA A 1 5 ? 8.855 12.139 -4.339 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 7 +ATOM 9614 C C . ALA A 1 5 ? 9.222 10.834 -4.978 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 7 +ATOM 9615 O O . ALA A 1 5 ? 10.272 10.719 -5.615 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 7 +ATOM 9616 C CB . ALA A 1 5 ? 7.804 12.859 -5.165 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 7 +ATOM 9617 H H . ALA A 1 5 ? 10.631 13.047 -4.963 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 7 +ATOM 9618 H HA . ALA A 1 5 ? 8.452 11.944 -3.356 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 7 +ATOM 9619 H HB1 . ALA A 1 5 ? 8.188 13.040 -6.157 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 7 +ATOM 9620 H HB2 . ALA A 1 5 ? 7.564 13.798 -4.692 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 7 +ATOM 9621 H HB3 . ALA A 1 5 ? 6.914 12.250 -5.227 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 7 +ATOM 9622 N N . TYR A 1 6 ? 8.393 9.863 -4.802 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 7 +ATOM 9623 C CA . TYR A 1 6 ? 8.637 8.549 -5.330 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 7 +ATOM 9624 C C . TYR A 1 6 ? 7.564 8.219 -6.342 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 7 +ATOM 9625 O O . TYR A 1 6 ? 6.597 8.976 -6.504 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 7 +ATOM 9626 C CB . TYR A 1 6 ? 8.614 7.496 -4.205 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 7 +ATOM 9627 C CG . TYR A 1 6 ? 9.718 7.594 -3.147 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 7 +ATOM 9628 C CD1 . TYR A 1 6 ? 9.964 8.774 -2.452 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 7 +ATOM 9629 C CD2 . TYR A 1 6 ? 10.486 6.483 -2.825 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 7 +ATOM 9630 C CE1 . TYR A 1 6 ? 10.934 8.848 -1.482 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 7 +ATOM 9631 C CE2 . TYR A 1 6 ? 11.455 6.549 -1.842 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 7 +ATOM 9632 C CZ . TYR A 1 6 ? 11.673 7.733 -1.176 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 7 +ATOM 9633 O OH . TYR A 1 6 ? 12.621 7.795 -0.185 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 7 +ATOM 9634 H H . TYR A 1 6 ? 7.560 10.027 -4.311 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 7 +ATOM 9635 H HA . TYR A 1 6 ? 9.607 8.540 -5.803 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 7 +ATOM 9636 H HB2 . TYR A 1 6 ? 7.671 7.573 -3.684 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 7 +ATOM 9637 H HB3 . TYR A 1 6 ? 8.674 6.519 -4.659 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 7 +ATOM 9638 H HD1 . TYR A 1 6 ? 9.383 9.653 -2.693 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 7 +ATOM 9639 H HD2 . TYR A 1 6 ? 10.315 5.555 -3.349 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 7 +ATOM 9640 H HE1 . TYR A 1 6 ? 11.098 9.780 -0.962 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 7 +ATOM 9641 H HE2 . TYR A 1 6 ? 12.044 5.676 -1.602 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 7 +ATOM 9642 H HH . TYR A 1 6 ? 13.410 7.300 -0.471 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 7 +ATOM 9643 N N . PHE A 1 7 ? 7.737 7.124 -7.021 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 7 +ATOM 9644 C CA . PHE A 1 7 ? 6.743 6.634 -7.941 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 7 +ATOM 9645 C C . PHE A 1 7 ? 5.766 5.773 -7.165 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 7 +ATOM 9646 O O . PHE A 1 7 ? 6.104 5.284 -6.102 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 7 +ATOM 9647 C CB . PHE A 1 7 ? 7.401 5.810 -9.060 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 7 +ATOM 9648 C CG . PHE A 1 7 ? 8.323 6.597 -9.952 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 7 +ATOM 9649 C CD1 . PHE A 1 7 ? 7.819 7.349 -11.000 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 7 +ATOM 9650 C CD2 . PHE A 1 7 ? 9.694 6.578 -9.746 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 7 +ATOM 9651 C CE1 . PHE A 1 7 ? 8.664 8.066 -11.825 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 7 +ATOM 9652 C CE2 . PHE A 1 7 ? 10.544 7.292 -10.565 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 7 +ATOM 9653 C CZ . PHE A 1 7 ? 10.029 8.039 -11.607 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 7 +ATOM 9654 H H . PHE A 1 7 ? 8.566 6.610 -6.895 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 7 +ATOM 9655 H HA . PHE A 1 7 ? 6.223 7.477 -8.368 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 7 +ATOM 9656 H HB2 . PHE A 1 7 ? 7.994 5.033 -8.602 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 7 +ATOM 9657 H HB3 . PHE A 1 7 ? 6.641 5.348 -9.672 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 7 +ATOM 9658 H HD1 . PHE A 1 7 ? 6.753 7.374 -11.171 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 7 +ATOM 9659 H HD2 . PHE A 1 7 ? 10.099 5.994 -8.932 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 7 +ATOM 9660 H HE1 . PHE A 1 7 ? 8.260 8.647 -12.641 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 7 +ATOM 9661 H HE2 . PHE A 1 7 ? 11.609 7.269 -10.391 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 7 +ATOM 9662 H HZ . PHE A 1 7 ? 10.690 8.600 -12.249 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 7 +ATOM 9663 N N . LEU A 1 8 ? 4.575 5.610 -7.662 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 7 +ATOM 9664 C CA . LEU A 1 8 ? 3.589 4.771 -7.002 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 7 +ATOM 9665 C C . LEU A 1 8 ? 3.185 3.710 -8.005 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 7 +ATOM 9666 O O . LEU A 1 8 ? 2.856 4.037 -9.148 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 7 +ATOM 9667 C CB . LEU A 1 8 ? 2.367 5.635 -6.560 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 7 +ATOM 9668 C CG . LEU A 1 8 ? 1.345 5.044 -5.532 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 7 +ATOM 9669 C CD1 . LEU A 1 8 ? 0.587 3.850 -6.068 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 7 +ATOM 9670 C CD2 . LEU A 1 8 ? 2.023 4.686 -4.221 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 7 +ATOM 9671 H H . LEU A 1 8 ? 4.332 6.051 -8.501 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 7 +ATOM 9672 H HA . LEU A 1 8 ? 4.050 4.307 -6.142 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 7 +ATOM 9673 H HB2 . LEU A 1 8 ? 2.746 6.564 -6.162 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 7 +ATOM 9674 H HB3 . LEU A 1 8 ? 1.821 5.880 -7.459 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 7 +ATOM 9675 H HG . LEU A 1 8 ? 0.609 5.805 -5.317 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 7 +ATOM 9676 H HD11 . LEU A 1 8 ? -0.067 3.470 -5.297 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 7 +ATOM 9677 H HD12 . LEU A 1 8 ? 1.288 3.082 -6.360 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 7 +ATOM 9678 H HD13 . LEU A 1 8 ? 0.000 4.149 -6.923 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 7 +ATOM 9679 H HD21 . LEU A 1 8 ? 1.289 4.278 -3.542 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 7 +ATOM 9680 H HD22 . LEU A 1 8 ? 2.461 5.567 -3.779 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 7 +ATOM 9681 H HD23 . LEU A 1 8 ? 2.792 3.948 -4.399 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 7 +ATOM 9682 N N . ASP A 1 9 ? 3.244 2.473 -7.623 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 7 +ATOM 9683 C CA . ASP A 1 9 ? 2.891 1.391 -8.519 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 7 +ATOM 9684 C C . ASP A 1 9 ? 1.991 0.411 -7.796 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 7 +ATOM 9685 O O . ASP A 1 9 ? 2.019 0.333 -6.567 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 7 +ATOM 9686 C CB . ASP A 1 9 ? 4.158 0.690 -9.018 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 7 +ATOM 9687 C CG . ASP A 1 9 ? 3.899 -0.292 -10.130 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 7 +ATOM 9688 O OD1 . ASP A 1 9 ? 3.368 0.125 -11.184 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 7 +ATOM 9689 O OD2 . ASP A 1 9 ? 4.244 -1.473 -9.993 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 7 +ATOM 9690 H H . ASP A 1 9 ? 3.534 2.244 -6.709 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 7 +ATOM 9691 H HA . ASP A 1 9 ? 2.359 1.808 -9.362 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 7 +ATOM 9692 H HB2 . ASP A 1 9 ? 4.881 1.417 -9.356 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 7 +ATOM 9693 H HB3 . ASP A 1 9 ? 4.556 0.138 -8.182 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 7 +ATOM 9694 N N . PHE A 1 10 ? 1.199 -0.313 -8.533 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 7 +ATOM 9695 C CA . PHE A 1 10 ? 0.265 -1.270 -7.963 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 7 +ATOM 9696 C C . PHE A 1 10 ? 0.551 -2.642 -8.508 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 7 +ATOM 9697 O O . PHE A 1 10 ? 0.750 -2.805 -9.725 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 7 +ATOM 9698 C CB . PHE A 1 10 ? -1.203 -0.930 -8.309 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 7 +ATOM 9699 C CG . PHE A 1 10 ? -1.765 0.336 -7.718 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 7 +ATOM 9700 C CD1 . PHE A 1 10 ? -2.373 0.317 -6.474 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 7 +ATOM 9701 C CD2 . PHE A 1 10 ? -1.717 1.531 -8.415 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 7 +ATOM 9702 C CE1 . PHE A 1 10 ? -2.920 1.465 -5.935 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 7 +ATOM 9703 C CE2 . PHE A 1 10 ? -2.266 2.683 -7.886 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 7 +ATOM 9704 C CZ . PHE A 1 10 ? -2.866 2.650 -6.643 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 7 +ATOM 9705 H H . PHE A 1 10 ? 1.277 -0.246 -9.508 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 7 +ATOM 9706 H HA . PHE A 1 10 ? 0.381 -1.271 -6.890 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 7 +ATOM 9707 H HB2 . PHE A 1 10 ? -1.307 -0.854 -9.381 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 7 +ATOM 9708 H HB3 . PHE A 1 10 ? -1.821 -1.750 -7.975 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 7 +ATOM 9709 H HD1 . PHE A 1 10 ? -2.413 -0.610 -5.921 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 7 +ATOM 9710 H HD2 . PHE A 1 10 ? -1.246 1.560 -9.386 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 7 +ATOM 9711 H HE1 . PHE A 1 10 ? -3.390 1.437 -4.964 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 7 +ATOM 9712 H HE2 . PHE A 1 10 ? -2.220 3.608 -8.440 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 7 +ATOM 9713 H HZ . PHE A 1 10 ? -3.295 3.549 -6.225 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 7 +ATOM 9714 N N . ASP A 1 11 ? 0.595 -3.623 -7.643 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 7 +ATOM 9715 C CA . ASP A 1 11 ? 0.716 -4.996 -8.091 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 7 +ATOM 9716 C C . ASP A 1 11 ? -0.598 -5.419 -8.710 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 7 +ATOM 9717 O O . ASP A 1 11 ? -1.640 -4.892 -8.326 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 7 +ATOM 9718 C CB . ASP A 1 11 ? 1.057 -5.937 -6.947 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 7 +ATOM 9719 C CG . ASP A 1 11 ? 1.175 -7.354 -7.432 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 7 +ATOM 9720 O OD1 . ASP A 1 11 ? 2.150 -7.674 -8.141 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 7 +ATOM 9721 O OD2 . ASP A 1 11 ? 0.276 -8.148 -7.182 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 7 +ATOM 9722 H H . ASP A 1 11 ? 0.564 -3.439 -6.677 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 7 +ATOM 9723 H HA . ASP A 1 11 ? 1.497 -5.026 -8.833 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 7 +ATOM 9724 H HB2 . ASP A 1 11 ? 1.993 -5.639 -6.501 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 7 +ATOM 9725 H HB3 . ASP A 1 11 ? 0.272 -5.892 -6.206 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 7 +ATOM 9726 N N . GLU A 1 12 ? -0.567 -6.352 -9.650 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 7 +ATOM 9727 C CA . GLU A 1 12 ? -1.778 -6.802 -10.300 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 7 +ATOM 9728 C C . GLU A 1 12 ? -2.797 -7.368 -9.313 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 7 +ATOM 9729 O O . GLU A 1 12 ? -3.992 -7.125 -9.458 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 7 +ATOM 9730 C CB . GLU A 1 12 ? -1.492 -7.724 -11.520 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 7 +ATOM 9731 C CG . GLU A 1 12 ? -0.622 -8.969 -11.278 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 7 +ATOM 9732 C CD . GLU A 1 12 ? -1.331 -10.118 -10.584 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 7 +ATOM 9733 O OE1 . GLU A 1 12 ? -2.555 -10.255 -10.716 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 7 +ATOM 9734 O OE2 . GLU A 1 12 ? -0.661 -10.948 -9.965 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 7 +ATOM 9735 H H . GLU A 1 12 ? 0.293 -6.752 -9.904 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 7 +ATOM 9736 H HA . GLU A 1 12 ? -2.227 -5.891 -10.670 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 7 +ATOM 9737 H HB2 . GLU A 1 12 ? -2.439 -8.073 -11.902 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 7 +ATOM 9738 H HB3 . GLU A 1 12 ? -1.021 -7.128 -12.289 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 7 +ATOM 9739 H HG2 . GLU A 1 12 ? -0.255 -9.326 -12.229 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 7 +ATOM 9740 H HG3 . GLU A 1 12 ? 0.220 -8.673 -10.671 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 7 +ATOM 9741 N N . ARG A 1 13 ? -2.322 -8.024 -8.254 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 7 +ATOM 9742 C CA . ARG A 1 13 ? -3.220 -8.585 -7.260 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 7 +ATOM 9743 C C . ARG A 1 13 ? -3.871 -7.474 -6.485 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 7 +ATOM 9744 O O . ARG A 1 13 ? -5.094 -7.473 -6.276 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 7 +ATOM 9745 C CB . ARG A 1 13 ? -2.490 -9.495 -6.289 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 7 +ATOM 9746 C CG . ARG A 1 13 ? -1.787 -10.651 -6.934 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 7 +ATOM 9747 C CD . ARG A 1 13 ? -1.128 -11.508 -5.899 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 7 +ATOM 9748 N NE . ARG A 1 13 ? -0.435 -12.650 -6.486 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 7 +ATOM 9749 C CZ . ARG A 1 13 ? -0.160 -13.773 -5.817 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 7 +ATOM 9750 N NH1 . ARG A 1 13 ? -0.648 -13.957 -4.585 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 7 +ATOM 9751 N NH2 . ARG A 1 13 ? 0.563 -14.727 -6.387 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 7 +ATOM 9752 H H . ARG A 1 13 ? -1.348 -8.129 -8.123 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 7 +ATOM 9753 H HA . ARG A 1 13 ? -3.979 -9.146 -7.782 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 7 +ATOM 9754 H HB2 . ARG A 1 13 ? -1.755 -8.909 -5.758 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 7 +ATOM 9755 H HB3 . ARG A 1 13 ? -3.203 -9.884 -5.578 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 7 +ATOM 9756 H HG2 . ARG A 1 13 ? -2.512 -11.244 -7.470 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 7 +ATOM 9757 H HG3 . ARG A 1 13 ? -1.040 -10.280 -7.619 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 7 +ATOM 9758 H HD2 . ARG A 1 13 ? -0.418 -10.907 -5.349 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 7 +ATOM 9759 H HD3 . ARG A 1 13 ? -1.888 -11.872 -5.224 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 7 +ATOM 9760 H HE . ARG A 1 13 ? -0.155 -12.505 -7.419 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 7 +ATOM 9761 H HH11 . ARG A 1 13 ? -1.242 -13.285 -4.113 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 7 +ATOM 9762 H HH12 . ARG A 1 13 ? -0.442 -14.775 -4.044 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 7 +ATOM 9763 H HH21 . ARG A 1 13 ? 0.930 -14.652 -7.318 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 7 +ATOM 9764 H HH22 . ARG A 1 13 ? 0.774 -15.583 -5.902 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 7 +ATOM 9765 N N . ALA A 1 14 ? -3.056 -6.514 -6.099 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 7 +ATOM 9766 C CA . ALA A 1 14 ? -3.498 -5.374 -5.329 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 7 +ATOM 9767 C C . ALA A 1 14 ? -4.430 -4.507 -6.137 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 7 +ATOM 9768 O O . ALA A 1 14 ? -5.356 -3.933 -5.604 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 7 +ATOM 9769 C CB . ALA A 1 14 ? -2.312 -4.555 -4.865 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 7 +ATOM 9770 H H . ALA A 1 14 ? -2.110 -6.585 -6.348 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 7 +ATOM 9771 H HA . ALA A 1 14 ? -4.019 -5.739 -4.455 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 7 +ATOM 9772 H HB1 . ALA A 1 14 ? -1.785 -4.166 -5.723 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 7 +ATOM 9773 H HB2 . ALA A 1 14 ? -1.647 -5.178 -4.285 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 7 +ATOM 9774 H HB3 . ALA A 1 14 ? -2.664 -3.735 -4.257 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 7 +ATOM 9775 N N . LEU A 1 15 ? -4.210 -4.464 -7.428 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 7 +ATOM 9776 C CA . LEU A 1 15 ? -4.986 -3.623 -8.303 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 7 +ATOM 9777 C C . LEU A 1 15 ? -6.382 -4.202 -8.456 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 7 +ATOM 9778 O O . LEU A 1 15 ? -7.359 -3.474 -8.539 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 7 +ATOM 9779 C CB . LEU A 1 15 ? -4.281 -3.483 -9.646 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 7 +ATOM 9780 C CG . LEU A 1 15 ? -4.765 -2.362 -10.579 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 7 +ATOM 9781 C CD1 . LEU A 1 15 ? -4.732 -1.007 -9.879 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 7 +ATOM 9782 C CD2 . LEU A 1 15 ? -3.892 -2.319 -11.819 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 7 +ATOM 9783 H H . LEU A 1 15 ? -3.487 -5.014 -7.806 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 7 +ATOM 9784 H HA . LEU A 1 15 ? -5.058 -2.652 -7.835 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 7 +ATOM 9785 H HB2 . LEU A 1 15 ? -3.219 -3.397 -9.481 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 7 +ATOM 9786 H HB3 . LEU A 1 15 ? -4.454 -4.415 -10.159 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 7 +ATOM 9787 H HG . LEU A 1 15 ? -5.779 -2.558 -10.889 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 7 +ATOM 9788 H HD11 . LEU A 1 15 ? -3.731 -0.803 -9.528 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 7 +ATOM 9789 H HD12 . LEU A 1 15 ? -5.421 -1.003 -9.048 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 7 +ATOM 9790 H HD13 . LEU A 1 15 ? -5.024 -0.244 -10.584 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 7 +ATOM 9791 H HD21 . LEU A 1 15 ? -2.867 -2.135 -11.530 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 7 +ATOM 9792 H HD22 . LEU A 1 15 ? -4.234 -1.528 -12.468 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 7 +ATOM 9793 H HD23 . LEU A 1 15 ? -3.956 -3.265 -12.336 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 7 +ATOM 9794 N N . LYS A 1 16 ? -6.466 -5.517 -8.455 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 7 +ATOM 9795 C CA . LYS A 1 16 ? -7.750 -6.203 -8.491 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 7 +ATOM 9796 C C . LYS A 1 16 ? -8.500 -5.928 -7.197 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 7 +ATOM 9797 O O . LYS A 1 16 ? -9.694 -5.649 -7.204 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 7 +ATOM 9798 C CB . LYS A 1 16 ? -7.533 -7.693 -8.643 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 7 +ATOM 9799 C CG . LYS A 1 16 ? -6.822 -8.078 -9.911 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 7 +ATOM 9800 C CD . LYS A 1 16 ? -6.373 -9.512 -9.848 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 7 +ATOM 9801 C CE . LYS A 1 16 ? -5.541 -9.888 -11.061 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 7 +ATOM 9802 N NZ . LYS A 1 16 ? -6.257 -9.720 -12.340 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 7 +ATOM 9803 H H . LYS A 1 16 ? -5.635 -6.040 -8.439 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 7 +ATOM 9804 H HA . LYS A 1 16 ? -8.321 -5.831 -9.329 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 7 +ATOM 9805 H HB2 . LYS A 1 16 ? -6.931 -8.021 -7.810 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 7 +ATOM 9806 H HB3 . LYS A 1 16 ? -8.485 -8.199 -8.613 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 7 +ATOM 9807 H HG2 . LYS A 1 16 ? -7.492 -7.949 -10.747 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 7 +ATOM 9808 H HG3 . LYS A 1 16 ? -5.957 -7.442 -10.035 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 7 +ATOM 9809 H HD2 . LYS A 1 16 ? -5.754 -9.596 -8.965 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 7 +ATOM 9810 H HD3 . LYS A 1 16 ? -7.231 -10.162 -9.764 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 7 +ATOM 9811 H HE2 . LYS A 1 16 ? -4.657 -9.268 -11.080 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 7 +ATOM 9812 H HE3 . LYS A 1 16 ? -5.245 -10.921 -10.958 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 7 +ATOM 9813 H HZ1 . LYS A 1 16 ? -6.595 -8.748 -12.483 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 7 +ATOM 9814 H HZ2 . LYS A 1 16 ? -7.077 -10.359 -12.397 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 7 +ATOM 9815 H HZ3 . LYS A 1 16 ? -5.621 -9.961 -13.127 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 7 +ATOM 9816 N N . GLU A 1 17 ? -7.772 -5.972 -6.084 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 7 +ATOM 9817 C CA . GLU A 1 17 ? -8.338 -5.686 -4.777 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 7 +ATOM 9818 C C . GLU A 1 17 ? -8.813 -4.237 -4.722 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 7 +ATOM 9819 O O . GLU A 1 17 ? -9.856 -3.945 -4.177 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 7 +ATOM 9820 C CB . GLU A 1 17 ? -7.301 -5.944 -3.690 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 7 +ATOM 9821 C CG . GLU A 1 17 ? -6.798 -7.371 -3.654 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 7 +ATOM 9822 C CD . GLU A 1 17 ? -7.887 -8.358 -3.354 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 7 +ATOM 9823 O OE1 . GLU A 1 17 ? -8.340 -8.433 -2.195 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 7 +ATOM 9824 O OE2 . GLU A 1 17 ? -8.330 -9.074 -4.273 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 7 +ATOM 9825 H H . GLU A 1 17 ? -6.822 -6.219 -6.138 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 7 +ATOM 9826 H HA . GLU A 1 17 ? -9.182 -6.343 -4.627 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 7 +ATOM 9827 H HB2 . GLU A 1 17 ? -6.459 -5.289 -3.856 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 7 +ATOM 9828 H HB3 . GLU A 1 17 ? -7.738 -5.714 -2.729 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 7 +ATOM 9829 H HG2 . GLU A 1 17 ? -6.408 -7.595 -4.637 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 7 +ATOM 9830 H HG3 . GLU A 1 17 ? -6.002 -7.476 -2.936 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 7 +ATOM 9831 N N . TRP A 1 18 ? -8.036 -3.366 -5.324 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 7 +ATOM 9832 C CA . TRP A 1 18 ? -8.310 -1.938 -5.441 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 7 +ATOM 9833 C C . TRP A 1 18 ? -9.621 -1.695 -6.214 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 7 +ATOM 9834 O O . TRP A 1 18 ? -10.417 -0.810 -5.871 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 7 +ATOM 9835 C CB . TRP A 1 18 ? -7.116 -1.299 -6.170 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 7 +ATOM 9836 C CG . TRP A 1 18 ? -7.187 0.169 -6.383 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 7 +ATOM 9837 C CD1 . TRP A 1 18 ? -7.538 0.815 -7.531 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 7 +ATOM 9838 C CD2 . TRP A 1 18 ? -6.868 1.173 -5.431 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 7 +ATOM 9839 N NE1 . TRP A 1 18 ? -7.470 2.173 -7.339 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 7 +ATOM 9840 C CE2 . TRP A 1 18 ? -7.060 2.415 -6.056 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 7 +ATOM 9841 C CE3 . TRP A 1 18 ? -6.446 1.143 -4.101 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 7 +ATOM 9842 C CZ2 . TRP A 1 18 ? -6.835 3.612 -5.401 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 7 +ATOM 9843 C CZ3 . TRP A 1 18 ? -6.222 2.331 -3.453 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 7 +ATOM 9844 C CH2 . TRP A 1 18 ? -6.419 3.549 -4.099 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 7 +ATOM 9845 H H . TRP A 1 18 ? -7.189 -3.694 -5.700 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 7 +ATOM 9846 H HA . TRP A 1 18 ? -8.384 -1.513 -4.450 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 7 +ATOM 9847 H HB2 . TRP A 1 18 ? -6.219 -1.493 -5.602 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 7 +ATOM 9848 H HB3 . TRP A 1 18 ? -7.021 -1.775 -7.136 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 7 +ATOM 9849 H HD1 . TRP A 1 18 ? -7.825 0.304 -8.440 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 7 +ATOM 9850 H HE1 . TRP A 1 18 ? -7.677 2.865 -8.007 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 7 +ATOM 9851 H HE3 . TRP A 1 18 ? -6.290 0.206 -3.587 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 7 +ATOM 9852 H HZ2 . TRP A 1 18 ? -6.985 4.560 -5.895 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 7 +ATOM 9853 H HZ3 . TRP A 1 18 ? -5.893 2.331 -2.425 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 7 +ATOM 9854 H HH2 . TRP A 1 18 ? -6.230 4.455 -3.543 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 7 +ATOM 9855 N N . ARG A 1 19 ? -9.837 -2.482 -7.244 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 7 +ATOM 9856 C CA . ARG A 1 19 ? -11.047 -2.401 -8.050 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 7 +ATOM 9857 C C . ARG A 1 19 ? -12.230 -3.004 -7.295 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 7 +ATOM 9858 O O . ARG A 1 19 ? -13.363 -2.534 -7.419 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 7 +ATOM 9859 C CB . ARG A 1 19 ? -10.833 -3.101 -9.386 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 7 +ATOM 9860 C CG . ARG A 1 19 ? -9.743 -2.464 -10.230 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 7 +ATOM 9861 C CD . ARG A 1 19 ? -9.446 -3.285 -11.461 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 7 +ATOM 9862 N NE . ARG A 1 19 ? -8.363 -2.703 -12.258 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 7 +ATOM 9863 C CZ . ARG A 1 19 ? -7.512 -3.398 -13.021 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 7 +ATOM 9864 N NH1 . ARG A 1 19 ? -7.565 -4.729 -13.044 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 7 +ATOM 9865 N NH2 . ARG A 1 19 ? -6.590 -2.761 -13.738 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 7 +ATOM 9866 H H . ARG A 1 19 ? -9.140 -3.136 -7.476 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 7 +ATOM 9867 H HA . ARG A 1 19 ? -11.250 -1.355 -8.227 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 7 +ATOM 9868 H HB2 . ARG A 1 19 ? -10.555 -4.128 -9.196 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 7 +ATOM 9869 H HB3 . ARG A 1 19 ? -11.754 -3.082 -9.950 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 7 +ATOM 9870 H HG2 . ARG A 1 19 ? -10.056 -1.475 -10.530 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 7 +ATOM 9871 H HG3 . ARG A 1 19 ? -8.845 -2.386 -9.634 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 7 +ATOM 9872 H HD2 . ARG A 1 19 ? -9.148 -4.270 -11.140 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 7 +ATOM 9873 H HD3 . ARG A 1 19 ? -10.337 -3.353 -12.068 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 7 +ATOM 9874 H HE . ARG A 1 19 ? -8.297 -1.720 -12.206 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 7 +ATOM 9875 H HH11 . ARG A 1 19 ? -8.236 -5.250 -12.510 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 7 +ATOM 9876 H HH12 . ARG A 1 19 ? -6.924 -5.291 -13.575 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 7 +ATOM 9877 H HH21 . ARG A 1 19 ? -6.487 -1.761 -13.740 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 7 +ATOM 9878 H HH22 . ARG A 1 19 ? -5.944 -3.240 -14.339 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 7 +ATOM 9879 N N . LYS A 1 20 ? -11.933 -4.013 -6.494 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 7 +ATOM 9880 C CA . LYS A 1 20 ? -12.907 -4.705 -5.656 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 7 +ATOM 9881 C C . LYS A 1 20 ? -13.328 -3.827 -4.469 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 7 +ATOM 9882 O O . LYS A 1 20 ? -14.438 -3.955 -3.944 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 7 +ATOM 9883 C CB . LYS A 1 20 ? -12.289 -6.071 -5.212 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 7 +ATOM 9884 C CG . LYS A 1 20 ? -13.089 -6.937 -4.210 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 7 +ATOM 9885 C CD . LYS A 1 20 ? -12.843 -6.550 -2.745 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 7 +ATOM 9886 C CE . LYS A 1 20 ? -11.390 -6.799 -2.315 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 7 +ATOM 9887 N NZ . LYS A 1 20 ? -11.014 -8.228 -2.399 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 7 +ATOM 9888 H H . LYS A 1 20 ? -11.005 -4.335 -6.490 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 7 +ATOM 9889 H HA . LYS A 1 20 ? -13.779 -4.902 -6.261 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 7 +ATOM 9890 H HB2 . LYS A 1 20 ? -12.136 -6.667 -6.098 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 7 +ATOM 9891 H HB3 . LYS A 1 20 ? -11.318 -5.861 -4.790 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 7 +ATOM 9892 H HG2 . LYS A 1 20 ? -14.139 -6.811 -4.418 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 7 +ATOM 9893 H HG3 . LYS A 1 20 ? -12.826 -7.974 -4.351 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 7 +ATOM 9894 H HD2 . LYS A 1 20 ? -13.070 -5.502 -2.619 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 7 +ATOM 9895 H HD3 . LYS A 1 20 ? -13.501 -7.136 -2.119 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 7 +ATOM 9896 H HE2 . LYS A 1 20 ? -10.722 -6.220 -2.933 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 7 +ATOM 9897 H HE3 . LYS A 1 20 ? -11.284 -6.471 -1.291 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 7 +ATOM 9898 H HZ1 . LYS A 1 20 ? -11.533 -8.783 -1.689 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 7 +ATOM 9899 H HZ2 . LYS A 1 20 ? -9.996 -8.364 -2.206 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 7 +ATOM 9900 H HZ3 . LYS A 1 20 ? -11.225 -8.634 -3.333 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 7 +ATOM 9901 N N . LEU A 1 21 ? -12.436 -2.959 -4.056 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 7 +ATOM 9902 C CA . LEU A 1 21 ? -12.668 -2.039 -2.962 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 7 +ATOM 9903 C C . LEU A 1 21 ? -13.778 -1.062 -3.267 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 7 +ATOM 9904 O O . LEU A 1 21 ? -14.048 -0.734 -4.440 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 7 +ATOM 9905 C CB . LEU A 1 21 ? -11.396 -1.262 -2.628 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 7 +ATOM 9906 C CG . LEU A 1 21 ? -10.765 -1.539 -1.268 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 7 +ATOM 9907 C CD1 . LEU A 1 21 ? -10.395 -3.005 -1.110 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 7 +ATOM 9908 C CD2 . LEU A 1 21 ? -9.553 -0.659 -1.080 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 7 +ATOM 9909 H H . LEU A 1 21 ? -11.564 -2.951 -4.506 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 7 +ATOM 9910 H HA . LEU A 1 21 ? -12.944 -2.616 -2.093 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 7 +ATOM 9911 H HB2 . LEU A 1 21 ? -10.660 -1.465 -3.390 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 7 +ATOM 9912 H HB3 . LEU A 1 21 ? -11.639 -0.210 -2.673 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 7 +ATOM 9913 H HG . LEU A 1 21 ? -11.475 -1.287 -0.496 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 7 +ATOM 9914 H HD11 . LEU A 1 21 ? -9.950 -3.161 -0.140 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 7 +ATOM 9915 H HD12 . LEU A 1 21 ? -9.693 -3.286 -1.880 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 7 +ATOM 9916 H HD13 . LEU A 1 21 ? -11.284 -3.612 -1.197 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 7 +ATOM 9917 H HD21 . LEU A 1 21 ? -9.854 0.377 -1.136 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 7 +ATOM 9918 H HD22 . LEU A 1 21 ? -8.829 -0.869 -1.854 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 7 +ATOM 9919 H HD23 . LEU A 1 21 ? -9.114 -0.852 -0.111 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 7 +ATOM 9920 N N . GLY A 1 22 ? -14.410 -0.606 -2.216 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 7 +ATOM 9921 C CA . GLY A 1 22 ? -15.447 0.364 -2.326 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 7 +ATOM 9922 C C . GLY A 1 22 ? -14.890 1.683 -2.754 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 7 +ATOM 9923 O O . GLY A 1 22 ? -13.774 2.045 -2.344 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 7 +ATOM 9924 H H . GLY A 1 22 ? -14.160 -0.941 -1.330 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 7 +ATOM 9925 H HA2 . GLY A 1 22 ? -16.181 0.032 -3.045 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 7 +ATOM 9926 H HA3 . GLY A 1 22 ? -15.914 0.485 -1.362 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 7 +ATOM 9927 N N . SER A 1 23 ? -15.644 2.383 -3.569 1.00 0.00 ? ? ? ? ? ? 20 SER A N 7 +ATOM 9928 C CA . SER A 1 23 ? -15.265 3.649 -4.153 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 7 +ATOM 9929 C C . SER A 1 23 ? -14.720 4.636 -3.109 1.00 0.00 ? ? ? ? ? ? 20 SER A C 7 +ATOM 9930 O O . SER A 1 23 ? -13.588 5.078 -3.211 1.00 0.00 ? ? ? ? ? ? 20 SER A O 7 +ATOM 9931 C CB . SER A 1 23 ? -16.485 4.226 -4.835 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 7 +ATOM 9932 O OG . SER A 1 23 ? -17.108 3.233 -5.643 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 7 +ATOM 9933 H H . SER A 1 23 ? -16.525 2.040 -3.833 1.00 0.00 ? ? ? ? ? ? 20 SER A H 7 +ATOM 9934 H HA . SER A 1 23 ? -14.514 3.469 -4.907 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 7 +ATOM 9935 H HB2 . SER A 1 23 ? -17.186 4.565 -4.086 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 7 +ATOM 9936 H HB3 . SER A 1 23 ? -16.192 5.054 -5.462 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 7 +ATOM 9937 H HG . SER A 1 23 ? -17.992 3.557 -5.859 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 7 +ATOM 9938 N N . THR A 1 24 ? -15.490 4.879 -2.077 1.00 0.00 ? ? ? ? ? ? 21 THR A N 7 +ATOM 9939 C CA . THR A 1 24 ? -15.151 5.847 -1.053 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 7 +ATOM 9940 C C . THR A 1 24 ? -13.885 5.411 -0.288 1.00 0.00 ? ? ? ? ? ? 21 THR A C 7 +ATOM 9941 O O . THR A 1 24 ? -13.039 6.240 0.071 1.00 0.00 ? ? ? ? ? ? 21 THR A O 7 +ATOM 9942 C CB . THR A 1 24 ? -16.339 5.999 -0.081 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 7 +ATOM 9943 O OG1 . THR A 1 24 ? -17.548 6.210 -0.844 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 7 +ATOM 9944 C CG2 . THR A 1 24 ? -16.136 7.177 0.863 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 7 +ATOM 9945 H H . THR A 1 24 ? -16.317 4.366 -1.968 1.00 0.00 ? ? ? ? ? ? 21 THR A H 7 +ATOM 9946 H HA . THR A 1 24 ? -14.972 6.798 -1.533 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 7 +ATOM 9947 H HB . THR A 1 24 ? -16.431 5.089 0.492 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 7 +ATOM 9948 H HG1 . THR A 1 24 ? -17.366 6.897 -1.497 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 7 +ATOM 9949 H HG21 . THR A 1 24 ? -15.235 7.031 1.441 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 7 +ATOM 9950 H HG22 . THR A 1 24 ? -16.983 7.256 1.527 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 7 +ATOM 9951 H HG23 . THR A 1 24 ? -16.048 8.087 0.288 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 7 +ATOM 9952 N N . VAL A 1 25 ? -13.734 4.110 -0.109 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 7 +ATOM 9953 C CA . VAL A 1 25 ? -12.603 3.568 0.609 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 7 +ATOM 9954 C C . VAL A 1 25 ? -11.325 3.748 -0.203 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 7 +ATOM 9955 O O . VAL A 1 25 ? -10.327 4.268 0.296 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 7 +ATOM 9956 C CB . VAL A 1 25 ? -12.810 2.056 0.933 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 7 +ATOM 9957 C CG1 . VAL A 1 25 ? -11.571 1.453 1.570 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 7 +ATOM 9958 C CG2 . VAL A 1 25 ? -14.004 1.869 1.855 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 7 +ATOM 9959 H H . VAL A 1 25 ? -14.401 3.501 -0.494 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 7 +ATOM 9960 H HA . VAL A 1 25 ? -12.508 4.109 1.540 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 7 +ATOM 9961 H HB . VAL A 1 25 ? -13.010 1.533 0.009 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 7 +ATOM 9962 H HG11 . VAL A 1 25 ? -11.352 1.970 2.493 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 7 +ATOM 9963 H HG12 . VAL A 1 25 ? -10.733 1.551 0.896 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 7 +ATOM 9964 H HG13 . VAL A 1 25 ? -11.744 0.407 1.779 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 7 +ATOM 9965 H HG21 . VAL A 1 25 ? -14.890 2.270 1.387 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 7 +ATOM 9966 H HG22 . VAL A 1 25 ? -13.824 2.385 2.787 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 7 +ATOM 9967 H HG23 . VAL A 1 25 ? -14.144 0.816 2.053 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 7 +ATOM 9968 N N . ARG A 1 26 ? -11.382 3.386 -1.461 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 7 +ATOM 9969 C CA . ARG A 1 26 ? -10.224 3.506 -2.315 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 7 +ATOM 9970 C C . ARG A 1 26 ? -9.855 4.956 -2.599 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 7 +ATOM 9971 O O . ARG A 1 26 ? -8.681 5.270 -2.713 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 7 +ATOM 9972 C CB . ARG A 1 26 ? -10.345 2.709 -3.597 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 7 +ATOM 9973 C CG . ARG A 1 26 ? -11.587 2.984 -4.392 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 7 +ATOM 9974 C CD . ARG A 1 26 ? -11.420 2.490 -5.790 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 7 +ATOM 9975 N NE . ARG A 1 26 ? -12.674 2.557 -6.543 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 7 +ATOM 9976 C CZ . ARG A 1 26 ? -13.257 1.507 -7.134 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 7 +ATOM 9977 N NH1 . ARG A 1 26 ? -12.694 0.304 -7.081 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 7 +ATOM 9978 N NH2 . ARG A 1 26 ? -14.408 1.660 -7.758 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 7 +ATOM 9979 H H . ARG A 1 26 ? -12.228 3.029 -1.814 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 7 +ATOM 9980 H HA . ARG A 1 26 ? -9.406 3.098 -1.739 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 7 +ATOM 9981 H HB2 . ARG A 1 26 ? -9.488 2.910 -4.222 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 7 +ATOM 9982 H HB3 . ARG A 1 26 ? -10.348 1.660 -3.333 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 7 +ATOM 9983 H HG2 . ARG A 1 26 ? -12.385 2.422 -3.927 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 7 +ATOM 9984 H HG3 . ARG A 1 26 ? -11.852 4.032 -4.371 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 7 +ATOM 9985 H HD2 . ARG A 1 26 ? -10.672 3.130 -6.239 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 7 +ATOM 9986 H HD3 . ARG A 1 26 ? -11.055 1.475 -5.764 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 7 +ATOM 9987 H HE . ARG A 1 26 ? -13.095 3.448 -6.588 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 7 +ATOM 9988 H HH11 . ARG A 1 26 ? -11.825 0.123 -6.606 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 7 +ATOM 9989 H HH12 . ARG A 1 26 ? -13.120 -0.498 -7.513 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 7 +ATOM 9990 H HH21 . ARG A 1 26 ? -14.883 2.542 -7.809 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 7 +ATOM 9991 H HH22 . ARG A 1 26 ? -14.870 0.895 -8.217 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 7 +ATOM 9992 N N . GLU A 1 27 ? -10.853 5.829 -2.725 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 7 +ATOM 9993 C CA . GLU A 1 27 ? -10.595 7.245 -2.960 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 7 +ATOM 9994 C C . GLU A 1 27 ? -9.746 7.830 -1.858 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 7 +ATOM 9995 O O . GLU A 1 27 ? -8.720 8.445 -2.132 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 7 +ATOM 9996 C CB . GLU A 1 27 ? -11.882 8.035 -3.106 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 7 +ATOM 9997 C CG . GLU A 1 27 ? -12.670 7.683 -4.339 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 7 +ATOM 9998 C CD . GLU A 1 27 ? -13.915 8.491 -4.464 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 7 +ATOM 9999 O OE1 . GLU A 1 27 ? -14.845 8.320 -3.654 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 7 +ATOM 10000 O OE2 . GLU A 1 27 ? -14.007 9.304 -5.396 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 7 +ATOM 10001 H H . GLU A 1 27 ? -11.783 5.514 -2.671 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 7 +ATOM 10002 H HA . GLU A 1 27 ? -10.035 7.316 -3.881 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 7 +ATOM 10003 H HB2 . GLU A 1 27 ? -12.504 7.817 -2.249 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 7 +ATOM 10004 H HB3 . GLU A 1 27 ? -11.658 9.092 -3.128 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 7 +ATOM 10005 H HG2 . GLU A 1 27 ? -12.054 7.858 -5.208 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 7 +ATOM 10006 H HG3 . GLU A 1 27 ? -12.936 6.637 -4.294 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 7 +ATOM 10007 N N . GLN A 1 28 ? -10.143 7.596 -0.613 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 7 +ATOM 10008 C CA . GLN A 1 28 ? -9.380 8.094 0.532 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 7 +ATOM 10009 C C . GLN A 1 28 ? -7.987 7.479 0.591 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 7 +ATOM 10010 O O . GLN A 1 28 ? -7.022 8.152 0.960 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 7 +ATOM 10011 C CB . GLN A 1 28 ? -10.136 7.911 1.854 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 7 +ATOM 10012 C CG . GLN A 1 28 ? -11.028 9.096 2.255 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 7 +ATOM 10013 C CD . GLN A 1 28 ? -12.019 9.526 1.185 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 7 +ATOM 10014 O OE1 . GLN A 1 28 ? -11.723 10.382 0.352 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 7 +ATOM 10015 N NE2 . GLN A 1 28 ? -13.179 8.957 1.195 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 7 +ATOM 10016 H H . GLN A 1 28 ? -10.959 7.069 -0.463 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 7 +ATOM 10017 H HA . GLN A 1 28 ? -9.245 9.152 0.357 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 7 +ATOM 10018 H HB2 . GLN A 1 28 ? -10.764 7.037 1.767 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 7 +ATOM 10019 H HB3 . GLN A 1 28 ? -9.414 7.746 2.641 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 7 +ATOM 10020 H HG2 . GLN A 1 28 ? -11.589 8.822 3.136 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 7 +ATOM 10021 H HG3 . GLN A 1 28 ? -10.388 9.934 2.491 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 7 +ATOM 10022 H HE21 . GLN A 1 28 ? -13.363 8.281 1.881 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 7 +ATOM 10023 H HE22 . GLN A 1 28 ? -13.821 9.218 0.499 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 7 +ATOM 10024 N N . LEU A 1 29 ? -7.881 6.223 0.200 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 7 +ATOM 10025 C CA . LEU A 1 29 ? -6.594 5.555 0.151 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 7 +ATOM 10026 C C . LEU A 1 29 ? -5.700 6.170 -0.920 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 7 +ATOM 10027 O O . LEU A 1 29 ? -4.532 6.430 -0.670 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 7 +ATOM 10028 C CB . LEU A 1 29 ? -6.752 4.054 -0.076 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 7 +ATOM 10029 C CG . LEU A 1 29 ? -7.436 3.264 1.054 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 7 +ATOM 10030 C CD1 . LEU A 1 29 ? -7.548 1.804 0.686 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 7 +ATOM 10031 C CD2 . LEU A 1 29 ? -6.678 3.420 2.367 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 7 +ATOM 10032 H H . LEU A 1 29 ? -8.693 5.730 -0.052 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 7 +ATOM 10033 H HA . LEU A 1 29 ? -6.120 5.714 1.107 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 7 +ATOM 10034 H HB2 . LEU A 1 29 ? -7.325 3.933 -0.984 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 7 +ATOM 10035 H HB3 . LEU A 1 29 ? -5.770 3.636 -0.239 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 7 +ATOM 10036 H HG . LEU A 1 29 ? -8.441 3.633 1.193 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 7 +ATOM 10037 H HD11 . LEU A 1 29 ? -8.132 1.703 -0.217 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 7 +ATOM 10038 H HD12 . LEU A 1 29 ? -8.032 1.269 1.490 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 7 +ATOM 10039 H HD13 . LEU A 1 29 ? -6.561 1.399 0.524 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 7 +ATOM 10040 H HD21 . LEU A 1 29 ? -5.658 3.091 2.233 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 7 +ATOM 10041 H HD22 . LEU A 1 29 ? -7.150 2.808 3.122 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 7 +ATOM 10042 H HD23 . LEU A 1 29 ? -6.691 4.451 2.685 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 7 +ATOM 10043 N N . LYS A 1 30 ? -6.251 6.417 -2.101 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 7 +ATOM 10044 C CA . LYS A 1 30 ? -5.494 7.047 -3.180 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 7 +ATOM 10045 C C . LYS A 1 30 ? -5.053 8.459 -2.785 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 7 +ATOM 10046 O O . LYS A 1 30 ? -3.922 8.870 -3.065 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 7 +ATOM 10047 C CB . LYS A 1 30 ? -6.312 7.127 -4.449 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 7 +ATOM 10048 C CG . LYS A 1 30 ? -5.529 7.699 -5.616 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 7 +ATOM 10049 C CD . LYS A 1 30 ? -6.396 7.930 -6.827 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 7 +ATOM 10050 C CE . LYS A 1 30 ? -7.372 9.065 -6.589 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 7 +ATOM 10051 N NZ . LYS A 1 30 ? -8.268 9.254 -7.729 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 7 +ATOM 10052 H H . LYS A 1 30 ? -7.182 6.135 -2.267 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 7 +ATOM 10053 H HA . LYS A 1 30 ? -4.616 6.445 -3.364 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 7 +ATOM 10054 H HB2 . LYS A 1 30 ? -6.652 6.135 -4.704 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 7 +ATOM 10055 H HB3 . LYS A 1 30 ? -7.170 7.750 -4.253 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 7 +ATOM 10056 H HG2 . LYS A 1 30 ? -5.128 8.647 -5.285 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 7 +ATOM 10057 H HG3 . LYS A 1 30 ? -4.720 7.027 -5.863 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 7 +ATOM 10058 H HD2 . LYS A 1 30 ? -5.766 8.177 -7.668 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 7 +ATOM 10059 H HD3 . LYS A 1 30 ? -6.949 7.026 -7.038 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 7 +ATOM 10060 H HE2 . LYS A 1 30 ? -7.964 8.860 -5.711 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 7 +ATOM 10061 H HE3 . LYS A 1 30 ? -6.800 9.969 -6.434 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 7 +ATOM 10062 H HZ1 . LYS A 1 30 ? -7.734 9.454 -8.598 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 7 +ATOM 10063 H HZ2 . LYS A 1 30 ? -8.889 10.070 -7.560 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 7 +ATOM 10064 H HZ3 . LYS A 1 30 ? -8.860 8.414 -7.886 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 7 +ATOM 10065 N N . LYS A 1 31 ? -5.953 9.194 -2.150 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 7 +ATOM 10066 C CA . LYS A 1 31 ? -5.650 10.537 -1.645 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 7 +ATOM 10067 C C . LYS A 1 31 ? -4.502 10.475 -0.645 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 7 +ATOM 10068 O O . LYS A 1 31 ? -3.653 11.375 -0.591 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 7 +ATOM 10069 C CB . LYS A 1 31 ? -6.879 11.170 -1.000 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 7 +ATOM 10070 C CG . LYS A 1 31 ? -8.016 11.418 -1.964 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 7 +ATOM 10071 C CD . LYS A 1 31 ? -9.251 11.900 -1.241 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 7 +ATOM 10072 C CE . LYS A 1 31 ? -10.416 12.058 -2.196 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 7 +ATOM 10073 N NZ . LYS A 1 31 ? -11.665 12.419 -1.489 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 7 +ATOM 10074 H H . LYS A 1 31 ? -6.855 8.818 -2.044 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 7 +ATOM 10075 H HA . LYS A 1 31 ? -5.346 11.133 -2.493 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 7 +ATOM 10076 H HB2 . LYS A 1 31 ? -7.236 10.524 -0.213 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 7 +ATOM 10077 H HB3 . LYS A 1 31 ? -6.589 12.119 -0.572 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 7 +ATOM 10078 H HG2 . LYS A 1 31 ? -7.712 12.172 -2.674 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 7 +ATOM 10079 H HG3 . LYS A 1 31 ? -8.245 10.500 -2.485 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 7 +ATOM 10080 H HD2 . LYS A 1 31 ? -9.519 11.184 -0.478 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 7 +ATOM 10081 H HD3 . LYS A 1 31 ? -9.037 12.854 -0.783 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 7 +ATOM 10082 H HE2 . LYS A 1 31 ? -10.174 12.839 -2.902 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 7 +ATOM 10083 H HE3 . LYS A 1 31 ? -10.562 11.128 -2.726 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 7 +ATOM 10084 H HZ1 . LYS A 1 31 ? -11.556 13.330 -0.999 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 7 +ATOM 10085 H HZ2 . LYS A 1 31 ? -11.889 11.692 -0.774 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 7 +ATOM 10086 H HZ3 . LYS A 1 31 ? -12.450 12.493 -2.166 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 7 +ATOM 10087 N N . LYS A 1 32 ? -4.468 9.402 0.121 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 7 +ATOM 10088 C CA . LYS A 1 32 ? -3.398 9.167 1.052 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 7 +ATOM 10089 C C . LYS A 1 32 ? -2.110 8.818 0.329 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 7 +ATOM 10090 O O . LYS A 1 32 ? -1.039 9.207 0.753 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 7 +ATOM 10091 C CB . LYS A 1 32 ? -3.752 8.085 2.059 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 7 +ATOM 10092 C CG . LYS A 1 32 ? -3.822 8.592 3.491 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 7 +ATOM 10093 C CD . LYS A 1 32 ? -4.970 9.561 3.692 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 7 +ATOM 10094 C CE . LYS A 1 32 ? -4.965 10.134 5.096 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 7 +ATOM 10095 N NZ . LYS A 1 32 ? -3.791 11.011 5.343 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 7 +ATOM 10096 H H . LYS A 1 32 ? -5.205 8.754 0.060 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 7 +ATOM 10097 H HA . LYS A 1 32 ? -3.232 10.088 1.587 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 7 +ATOM 10098 H HB2 . LYS A 1 32 ? -4.714 7.668 1.798 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 7 +ATOM 10099 H HB3 . LYS A 1 32 ? -3.003 7.310 2.003 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 7 +ATOM 10100 H HG2 . LYS A 1 32 ? -3.959 7.753 4.158 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 7 +ATOM 10101 H HG3 . LYS A 1 32 ? -2.895 9.092 3.731 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 7 +ATOM 10102 H HD2 . LYS A 1 32 ? -4.881 10.373 2.985 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 7 +ATOM 10103 H HD3 . LYS A 1 32 ? -5.901 9.041 3.526 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 7 +ATOM 10104 H HE2 . LYS A 1 32 ? -5.877 10.684 5.271 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 7 +ATOM 10105 H HE3 . LYS A 1 32 ? -4.909 9.286 5.765 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 7 +ATOM 10106 H HZ1 . LYS A 1 32 ? -2.904 10.473 5.400 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 7 +ATOM 10107 H HZ2 . LYS A 1 32 ? -3.900 11.564 6.216 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 7 +ATOM 10108 H HZ3 . LYS A 1 32 ? -3.682 11.698 4.561 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 7 +ATOM 10109 N N . LEU A 1 33 ? -2.224 8.099 -0.764 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 7 +ATOM 10110 C CA . LEU A 1 33 ? -1.072 7.731 -1.563 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 7 +ATOM 10111 C C . LEU A 1 33 ? -0.440 8.956 -2.198 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 7 +ATOM 10112 O O . LEU A 1 33 ? 0.771 9.141 -2.135 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 7 +ATOM 10113 C CB . LEU A 1 33 ? -1.444 6.717 -2.647 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 7 +ATOM 10114 C CG . LEU A 1 33 ? -2.003 5.384 -2.160 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 7 +ATOM 10115 C CD1 . LEU A 1 33 ? -2.317 4.481 -3.335 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 7 +ATOM 10116 C CD2 . LEU A 1 33 ? -1.031 4.714 -1.206 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 7 +ATOM 10117 H H . LEU A 1 33 ? -3.113 7.775 -1.029 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 7 +ATOM 10118 H HA . LEU A 1 33 ? -0.354 7.275 -0.899 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 7 +ATOM 10119 H HB2 . LEU A 1 33 ? -2.179 7.175 -3.293 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 7 +ATOM 10120 H HB3 . LEU A 1 33 ? -0.561 6.516 -3.233 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 7 +ATOM 10121 H HG . LEU A 1 33 ? -2.929 5.564 -1.632 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 7 +ATOM 10122 H HD11 . LEU A 1 33 ? -3.036 4.962 -3.981 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 7 +ATOM 10123 H HD12 . LEU A 1 33 ? -2.729 3.549 -2.975 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 7 +ATOM 10124 H HD13 . LEU A 1 33 ? -1.411 4.286 -3.888 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 7 +ATOM 10125 H HD21 . LEU A 1 33 ? -1.430 3.764 -0.886 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 7 +ATOM 10126 H HD22 . LEU A 1 33 ? -0.902 5.355 -0.346 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 7 +ATOM 10127 H HD23 . LEU A 1 33 ? -0.079 4.568 -1.693 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 7 +ATOM 10128 N N . VAL A 1 34 ? -1.265 9.809 -2.775 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 7 +ATOM 10129 C CA . VAL A 1 34 ? -0.769 10.995 -3.445 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 7 +ATOM 10130 C C . VAL A 1 34 ? -0.089 11.969 -2.445 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 7 +ATOM 10131 O O . VAL A 1 34 ? 0.939 12.589 -2.769 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 7 +ATOM 10132 C CB . VAL A 1 34 ? -1.870 11.691 -4.324 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 7 +ATOM 10133 C CG1 . VAL A 1 34 ? -2.991 12.281 -3.503 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 7 +ATOM 10134 C CG2 . VAL A 1 34 ? -1.279 12.730 -5.253 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 7 +ATOM 10135 H H . VAL A 1 34 ? -2.230 9.615 -2.752 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 7 +ATOM 10136 H HA . VAL A 1 34 ? 0.017 10.639 -4.097 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 7 +ATOM 10137 H HB . VAL A 1 34 ? -2.310 10.917 -4.934 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 7 +ATOM 10138 H HG11 . VAL A 1 34 ? -3.742 12.709 -4.152 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 7 +ATOM 10139 H HG12 . VAL A 1 34 ? -2.588 13.047 -2.859 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 7 +ATOM 10140 H HG13 . VAL A 1 34 ? -3.430 11.501 -2.899 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 7 +ATOM 10141 H HG21 . VAL A 1 34 ? -0.799 13.508 -4.678 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 7 +ATOM 10142 H HG22 . VAL A 1 34 ? -2.076 13.150 -5.850 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 7 +ATOM 10143 H HG23 . VAL A 1 34 ? -0.558 12.256 -5.902 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 7 +ATOM 10144 N N . GLU A 1 35 ? -0.649 12.106 -1.235 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 7 +ATOM 10145 C CA . GLU A 1 35 ? 0.002 12.908 -0.204 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 7 +ATOM 10146 C C . GLU A 1 35 ? 1.280 12.215 0.304 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 7 +ATOM 10147 O O . GLU A 1 35 ? 2.329 12.845 0.435 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 7 +ATOM 10148 C CB . GLU A 1 35 ? -0.940 13.274 0.979 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 7 +ATOM 10149 C CG . GLU A 1 35 ? -1.470 12.085 1.743 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 7 +ATOM 10150 C CD . GLU A 1 35 ? -2.263 12.433 2.976 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 7 +ATOM 10151 O OE1 . GLU A 1 35 ? -1.672 12.579 4.052 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 7 +ATOM 10152 O OE2 . GLU A 1 35 ? -3.503 12.501 2.915 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 7 +ATOM 10153 H H . GLU A 1 35 ? -1.507 11.669 -1.041 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 7 +ATOM 10154 H HA . GLU A 1 35 ? 0.319 13.816 -0.695 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 7 +ATOM 10155 H HB2 . GLU A 1 35 ? -0.409 13.907 1.673 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 7 +ATOM 10156 H HB3 . GLU A 1 35 ? -1.784 13.820 0.583 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 7 +ATOM 10157 H HG2 . GLU A 1 35 ? -2.108 11.540 1.065 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 7 +ATOM 10158 H HG3 . GLU A 1 35 ? -0.634 11.458 2.022 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 7 +ATOM 10159 N N . VAL A 1 36 ? 1.193 10.902 0.530 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 7 +ATOM 10160 C CA . VAL A 1 36 ? 2.280 10.132 1.123 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 7 +ATOM 10161 C C . VAL A 1 36 ? 3.527 10.131 0.247 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 7 +ATOM 10162 O O . VAL A 1 36 ? 4.597 10.060 0.744 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 7 +ATOM 10163 C CB . VAL A 1 36 ? 1.876 8.674 1.542 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 7 +ATOM 10164 C CG1 . VAL A 1 36 ? 2.024 7.653 0.416 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 7 +ATOM 10165 C CG2 . VAL A 1 36 ? 2.618 8.243 2.798 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 7 +ATOM 10166 H H . VAL A 1 36 ? 0.361 10.427 0.309 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 7 +ATOM 10167 H HA . VAL A 1 36 ? 2.547 10.677 2.016 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 7 +ATOM 10168 H HB . VAL A 1 36 ? 0.823 8.708 1.783 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 7 +ATOM 10169 H HG11 . VAL A 1 36 ? 1.444 7.975 -0.435 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 7 +ATOM 10170 H HG12 . VAL A 1 36 ? 1.674 6.688 0.749 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 7 +ATOM 10171 H HG13 . VAL A 1 36 ? 3.065 7.576 0.133 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 7 +ATOM 10172 H HG21 . VAL A 1 36 ? 2.388 7.214 3.027 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 7 +ATOM 10173 H HG22 . VAL A 1 36 ? 2.309 8.868 3.623 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 7 +ATOM 10174 H HG23 . VAL A 1 36 ? 3.680 8.357 2.650 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 7 +ATOM 10175 N N . LEU A 1 37 ? 3.357 10.225 -1.063 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 7 +ATOM 10176 C CA . LEU A 1 37 ? 4.482 10.200 -2.021 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 7 +ATOM 10177 C C . LEU A 1 37 ? 5.569 11.236 -1.739 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 7 +ATOM 10178 O O . LEU A 1 37 ? 6.719 11.034 -2.139 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 7 +ATOM 10179 C CB . LEU A 1 37 ? 3.999 10.335 -3.465 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 7 +ATOM 10180 C CG . LEU A 1 37 ? 3.253 9.138 -4.041 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 7 +ATOM 10181 C CD1 . LEU A 1 37 ? 2.770 9.446 -5.451 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 7 +ATOM 10182 C CD2 . LEU A 1 37 ? 4.157 7.909 -4.043 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 7 +ATOM 10183 H H . LEU A 1 37 ? 2.437 10.281 -1.400 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 7 +ATOM 10184 H HA . LEU A 1 37 ? 4.956 9.236 -1.922 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 7 +ATOM 10185 H HB2 . LEU A 1 37 ? 3.347 11.194 -3.518 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 7 +ATOM 10186 H HB3 . LEU A 1 37 ? 4.860 10.526 -4.089 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 7 +ATOM 10187 H HG . LEU A 1 37 ? 2.390 8.925 -3.427 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 7 +ATOM 10188 H HD11 . LEU A 1 37 ? 3.618 9.644 -6.091 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 7 +ATOM 10189 H HD12 . LEU A 1 37 ? 2.131 10.316 -5.428 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 7 +ATOM 10190 H HD13 . LEU A 1 37 ? 2.212 8.606 -5.836 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 7 +ATOM 10191 H HD21 . LEU A 1 37 ? 3.635 7.073 -4.480 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 7 +ATOM 10192 H HD22 . LEU A 1 37 ? 4.433 7.652 -3.031 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 7 +ATOM 10193 H HD23 . LEU A 1 37 ? 5.047 8.115 -4.619 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 7 +ATOM 10194 N N . GLU A 1 38 ? 5.232 12.330 -1.077 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 7 +ATOM 10195 C CA . GLU A 1 38 ? 6.241 13.329 -0.784 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 7 +ATOM 10196 C C . GLU A 1 38 ? 7.039 12.989 0.496 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 7 +ATOM 10197 O O . GLU A 1 38 ? 8.070 13.617 0.790 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 7 +ATOM 10198 C CB . GLU A 1 38 ? 5.647 14.753 -0.822 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 7 +ATOM 10199 C CG . GLU A 1 38 ? 4.492 15.030 0.126 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 7 +ATOM 10200 C CD . GLU A 1 38 ? 4.928 15.487 1.483 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 7 +ATOM 10201 O OE1 . GLU A 1 38 ? 5.260 16.670 1.629 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 7 +ATOM 10202 O OE2 . GLU A 1 38 ? 4.909 14.700 2.422 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 7 +ATOM 10203 H H . GLU A 1 38 ? 4.310 12.455 -0.759 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 7 +ATOM 10204 H HA . GLU A 1 38 ? 6.953 13.233 -1.592 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 7 +ATOM 10205 H HB2 . GLU A 1 38 ? 6.431 15.455 -0.580 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 7 +ATOM 10206 H HB3 . GLU A 1 38 ? 5.311 14.953 -1.830 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 7 +ATOM 10207 H HG2 . GLU A 1 38 ? 3.843 15.780 -0.296 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 7 +ATOM 10208 H HG3 . GLU A 1 38 ? 3.939 14.108 0.256 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 7 +ATOM 10209 N N . SER A 1 39 ? 6.577 11.966 1.211 1.00 0.00 ? ? ? ? ? ? 36 SER A N 7 +ATOM 10210 C CA . SER A 1 39 ? 7.240 11.433 2.400 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 7 +ATOM 10211 C C . SER A 1 39 ? 6.767 9.979 2.684 1.00 0.00 ? ? ? ? ? ? 36 SER A C 7 +ATOM 10212 O O . SER A 1 39 ? 6.183 9.703 3.703 1.00 0.00 ? ? ? ? ? ? 36 SER A O 7 +ATOM 10213 C CB . SER A 1 39 ? 6.999 12.357 3.614 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 7 +ATOM 10214 O OG . SER A 1 39 ? 5.611 12.636 3.788 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 7 +ATOM 10215 H H . SER A 1 39 ? 5.745 11.519 0.941 1.00 0.00 ? ? ? ? ? ? 36 SER A H 7 +ATOM 10216 H HA . SER A 1 39 ? 8.297 11.379 2.195 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 7 +ATOM 10217 H HB2 . SER A 1 39 ? 7.368 11.876 4.508 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 7 +ATOM 10218 H HB3 . SER A 1 39 ? 7.524 13.289 3.464 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 7 +ATOM 10219 H HG . SER A 1 39 ? 5.414 13.389 3.203 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 7 +ATOM 10220 N N . PRO A 1 40 ? 7.014 9.010 1.758 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 7 +ATOM 10221 C CA . PRO A 1 40 ? 6.460 7.655 1.889 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 7 +ATOM 10222 C C . PRO A 1 40 ? 7.157 6.809 2.936 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 7 +ATOM 10223 O O . PRO A 1 40 ? 6.595 5.839 3.443 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 7 +ATOM 10224 C CB . PRO A 1 40 ? 6.648 7.061 0.502 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 7 +ATOM 10225 C CG . PRO A 1 40 ? 7.835 7.764 -0.040 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 7 +ATOM 10226 C CD . PRO A 1 40 ? 7.795 9.164 0.518 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 7 +ATOM 10227 H HA . PRO A 1 40 ? 5.407 7.686 2.121 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 7 +ATOM 10228 H HB2 . PRO A 1 40 ? 6.819 5.997 0.586 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 7 +ATOM 10229 H HB3 . PRO A 1 40 ? 5.771 7.245 -0.100 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 7 +ATOM 10230 H HG2 . PRO A 1 40 ? 8.735 7.258 0.280 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 7 +ATOM 10231 H HG3 . PRO A 1 40 ? 7.787 7.789 -1.118 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 7 +ATOM 10232 H HD2 . PRO A 1 40 ? 8.791 9.523 0.728 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 7 +ATOM 10233 H HD3 . PRO A 1 40 ? 7.286 9.827 -0.168 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 7 +ATOM 10234 N N . ARG A 1 41 ? 8.358 7.182 3.278 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 7 +ATOM 10235 C CA . ARG A 1 41 ? 9.128 6.438 4.230 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 7 +ATOM 10236 C C . ARG A 1 41 ? 8.908 6.898 5.681 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 7 +ATOM 10237 O O . ARG A 1 41 ? 9.837 7.209 6.413 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 7 +ATOM 10238 C CB . ARG A 1 41 ? 10.611 6.293 3.787 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 7 +ATOM 10239 C CG . ARG A 1 41 ? 11.255 7.544 3.157 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 7 +ATOM 10240 C CD . ARG A 1 41 ? 11.546 8.640 4.157 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 7 +ATOM 10241 N NE . ARG A 1 41 ? 12.514 8.216 5.168 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 7 +ATOM 10242 C CZ . ARG A 1 41 ? 12.917 8.953 6.201 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 7 +ATOM 10243 N NH1 . ARG A 1 41 ? 12.475 10.201 6.352 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 7 +ATOM 10244 N NH2 . ARG A 1 41 ? 13.762 8.445 7.070 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 7 +ATOM 10245 H H . ARG A 1 41 ? 8.715 8.004 2.880 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 7 +ATOM 10246 H HA . ARG A 1 41 ? 8.682 5.454 4.195 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 7 +ATOM 10247 H HB2 . ARG A 1 41 ? 11.195 6.028 4.656 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 7 +ATOM 10248 H HB3 . ARG A 1 41 ? 10.677 5.483 3.074 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 7 +ATOM 10249 H HG2 . ARG A 1 41 ? 12.174 7.259 2.670 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 7 +ATOM 10250 H HG3 . ARG A 1 41 ? 10.579 7.925 2.405 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 7 +ATOM 10251 H HD2 . ARG A 1 41 ? 11.942 9.498 3.634 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 7 +ATOM 10252 H HD3 . ARG A 1 41 ? 10.622 8.907 4.651 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 7 +ATOM 10253 H HE . ARG A 1 41 ? 12.874 7.305 5.058 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 7 +ATOM 10254 H HH11 . ARG A 1 41 ? 11.838 10.613 5.696 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 7 +ATOM 10255 H HH12 . ARG A 1 41 ? 12.765 10.781 7.119 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 7 +ATOM 10256 H HH21 . ARG A 1 41 ? 14.122 7.513 6.978 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 7 +ATOM 10257 H HH22 . ARG A 1 41 ? 14.099 8.954 7.866 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 7 +ATOM 10258 N N . ILE A 1 42 ? 7.646 6.901 6.074 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 7 +ATOM 10259 C CA . ILE A 1 42 ? 7.217 7.270 7.416 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 7 +ATOM 10260 C C . ILE A 1 42 ? 7.362 6.057 8.327 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 7 +ATOM 10261 O O . ILE A 1 42 ? 6.614 5.083 8.190 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 7 +ATOM 10262 C CB . ILE A 1 42 ? 5.732 7.754 7.403 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 7 +ATOM 10263 C CG1 . ILE A 1 42 ? 5.610 8.999 6.532 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 7 +ATOM 10264 C CG2 . ILE A 1 42 ? 5.222 8.040 8.815 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 7 +ATOM 10265 C CD1 . ILE A 1 42 ? 4.195 9.475 6.284 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 7 +ATOM 10266 H H . ILE A 1 42 ? 6.970 6.621 5.419 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 7 +ATOM 10267 H HA . ILE A 1 42 ? 7.850 8.073 7.761 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 7 +ATOM 10268 H HB . ILE A 1 42 ? 5.123 6.973 6.973 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 7 +ATOM 10269 H HG12 . ILE A 1 42 ? 6.145 9.808 7.007 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 7 +ATOM 10270 H HG13 . ILE A 1 42 ? 6.067 8.796 5.574 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 7 +ATOM 10271 H HG21 . ILE A 1 42 ? 5.318 7.151 9.420 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 7 +ATOM 10272 H HG22 . ILE A 1 42 ? 4.184 8.332 8.765 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 7 +ATOM 10273 H HG23 . ILE A 1 42 ? 5.799 8.843 9.247 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 7 +ATOM 10274 H HD11 . ILE A 1 42 ? 3.723 9.757 7.214 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 7 +ATOM 10275 H HD12 . ILE A 1 42 ? 3.632 8.686 5.810 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 7 +ATOM 10276 H HD13 . ILE A 1 42 ? 4.237 10.326 5.620 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 7 +ATOM 10277 N N . GLU A 1 43 ? 8.305 6.117 9.251 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 7 +ATOM 10278 C CA . GLU A 1 43 ? 8.619 4.979 10.116 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 7 +ATOM 10279 C C . GLU A 1 43 ? 7.431 4.546 10.981 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 7 +ATOM 10280 O O . GLU A 1 43 ? 7.323 3.376 11.341 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 7 +ATOM 10281 C CB . GLU A 1 43 ? 9.865 5.237 10.971 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 7 +ATOM 10282 C CG . GLU A 1 43 ? 9.747 6.413 11.910 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 7 +ATOM 10283 C CD . GLU A 1 43 ? 10.965 6.605 12.755 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 7 +ATOM 10284 O OE1 . GLU A 1 43 ? 11.897 7.324 12.317 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 7 +ATOM 10285 O OE2 . GLU A 1 43 ? 11.019 6.061 13.880 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 7 +ATOM 10286 H H . GLU A 1 43 ? 8.802 6.959 9.358 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 7 +ATOM 10287 H HA . GLU A 1 43 ? 8.835 4.157 9.449 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 7 +ATOM 10288 H HB2 . GLU A 1 43 ? 10.073 4.357 11.562 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 7 +ATOM 10289 H HB3 . GLU A 1 43 ? 10.701 5.412 10.310 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 7 +ATOM 10290 H HG2 . GLU A 1 43 ? 9.591 7.309 11.327 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 7 +ATOM 10291 H HG3 . GLU A 1 43 ? 8.897 6.249 12.555 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 7 +ATOM 10292 N N . ALA A 1 44 ? 6.535 5.476 11.286 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 7 +ATOM 10293 C CA . ALA A 1 44 ? 5.340 5.171 12.070 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 7 +ATOM 10294 C C . ALA A 1 44 ? 4.412 4.216 11.311 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 7 +ATOM 10295 O O . ALA A 1 44 ? 3.699 3.412 11.911 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 7 +ATOM 10296 C CB . ALA A 1 44 ? 4.594 6.451 12.426 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 7 +ATOM 10297 H H . ALA A 1 44 ? 6.704 6.401 10.999 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 7 +ATOM 10298 H HA . ALA A 1 44 ? 5.657 4.694 12.985 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 7 +ATOM 10299 H HB1 . ALA A 1 44 ? 3.748 6.209 13.051 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 7 +ATOM 10300 H HB2 . ALA A 1 44 ? 4.245 6.928 11.522 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 7 +ATOM 10301 H HB3 . ALA A 1 44 ? 5.254 7.122 12.955 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 7 +ATOM 10302 N N . ASN A 1 45 ? 4.474 4.266 9.991 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 7 +ATOM 10303 C CA . ASN A 1 45 ? 3.604 3.444 9.150 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 7 +ATOM 10304 C C . ASN A 1 45 ? 4.248 2.122 8.790 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 7 +ATOM 10305 O O . ASN A 1 45 ? 3.637 1.304 8.115 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 7 +ATOM 10306 C CB . ASN A 1 45 ? 3.172 4.176 7.867 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 7 +ATOM 10307 C CG . ASN A 1 45 ? 2.207 5.326 8.107 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 7 +ATOM 10308 O OD1 . ASN A 1 45 ? 1.420 5.325 9.061 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 7 +ATOM 10309 N ND2 . ASN A 1 45 ? 2.231 6.299 7.231 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 7 +ATOM 10310 H H . ASN A 1 45 ? 5.134 4.850 9.560 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 7 +ATOM 10311 H HA . ASN A 1 45 ? 2.719 3.233 9.733 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 7 +ATOM 10312 H HB2 . ASN A 1 45 ? 4.049 4.575 7.381 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 7 +ATOM 10313 H HB3 . ASN A 1 45 ? 2.699 3.464 7.206 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 7 +ATOM 10314 H HD21 . ASN A 1 45 ? 2.858 6.236 6.481 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 7 +ATOM 10315 H HD22 . ASN A 1 45 ? 1.612 7.053 7.343 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 7 +ATOM 10316 N N . LYS A 1 46 ? 5.474 1.911 9.242 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 7 +ATOM 10317 C CA . LYS A 1 46 ? 6.193 0.666 8.974 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 7 +ATOM 10318 C C . LYS A 1 46 ? 5.515 -0.529 9.570 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 7 +ATOM 10319 O O . LYS A 1 46 ? 4.872 -0.444 10.623 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 7 +ATOM 10320 C CB . LYS A 1 46 ? 7.615 0.691 9.507 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 7 +ATOM 10321 C CG . LYS A 1 46 ? 8.628 1.382 8.640 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 7 +ATOM 10322 C CD . LYS A 1 46 ? 10.041 1.348 9.246 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 7 +ATOM 10323 C CE . LYS A 1 46 ? 10.701 -0.059 9.294 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 7 +ATOM 10324 N NZ . LYS A 1 46 ? 10.027 -1.048 10.201 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 7 +ATOM 10325 H H . LYS A 1 46 ? 5.895 2.605 9.792 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 7 +ATOM 10326 H HA . LYS A 1 46 ? 6.245 0.538 7.903 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 7 +ATOM 10327 H HB2 . LYS A 1 46 ? 7.610 1.197 10.461 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 7 +ATOM 10328 H HB3 . LYS A 1 46 ? 7.931 -0.329 9.661 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 7 +ATOM 10329 H HG2 . LYS A 1 46 ? 8.653 0.883 7.683 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 7 +ATOM 10330 H HG3 . LYS A 1 46 ? 8.327 2.409 8.498 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 7 +ATOM 10331 H HD2 . LYS A 1 46 ? 10.669 1.971 8.629 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 7 +ATOM 10332 H HD3 . LYS A 1 46 ? 9.996 1.754 10.245 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 7 +ATOM 10333 H HE2 . LYS A 1 46 ? 10.704 -0.465 8.295 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 7 +ATOM 10334 H HE3 . LYS A 1 46 ? 11.725 0.064 9.614 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 7 +ATOM 10335 H HZ1 . LYS A 1 46 ? 9.814 -0.650 11.136 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 7 +ATOM 10336 H HZ2 . LYS A 1 46 ? 10.685 -1.836 10.370 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 7 +ATOM 10337 H HZ3 . LYS A 1 46 ? 9.173 -1.474 9.790 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 7 +ATOM 10338 N N . LEU A 1 47 ? 5.630 -1.627 8.890 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 7 +ATOM 10339 C CA . LEU A 1 47 ? 5.182 -2.873 9.413 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 7 +ATOM 10340 C C . LEU A 1 47 ? 6.237 -3.439 10.343 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 7 +ATOM 10341 O O . LEU A 1 47 ? 7.356 -2.902 10.433 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 7 +ATOM 10342 C CB . LEU A 1 47 ? 4.801 -3.848 8.299 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 7 +ATOM 10343 C CG . LEU A 1 47 ? 3.544 -3.473 7.513 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 7 +ATOM 10344 C CD1 . LEU A 1 47 ? 3.234 -4.499 6.464 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 7 +ATOM 10345 C CD2 . LEU A 1 47 ? 2.363 -3.339 8.440 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 7 +ATOM 10346 H H . LEU A 1 47 ? 6.037 -1.593 7.996 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 7 +ATOM 10347 H HA . LEU A 1 47 ? 4.310 -2.667 10.017 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 7 +ATOM 10348 H HB2 . LEU A 1 47 ? 5.628 -3.894 7.606 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 7 +ATOM 10349 H HB3 . LEU A 1 47 ? 4.656 -4.827 8.727 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 7 +ATOM 10350 H HG . LEU A 1 47 ? 3.692 -2.521 7.027 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 7 +ATOM 10351 H HD11 . LEU A 1 47 ? 2.336 -4.185 5.953 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 7 +ATOM 10352 H HD12 . LEU A 1 47 ? 3.062 -5.449 6.946 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 7 +ATOM 10353 H HD13 . LEU A 1 47 ? 4.050 -4.570 5.762 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 7 +ATOM 10354 H HD21 . LEU A 1 47 ? 1.481 -3.147 7.848 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 7 +ATOM 10355 H HD22 . LEU A 1 47 ? 2.528 -2.509 9.110 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 7 +ATOM 10356 H HD23 . LEU A 1 47 ? 2.234 -4.253 9.001 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 7 +ATOM 10357 N N . ARG A 1 48 ? 5.906 -4.508 11.005 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 7 +ATOM 10358 C CA . ARG A 1 48 ? 6.740 -5.055 12.030 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 7 +ATOM 10359 C C . ARG A 1 48 ? 7.794 -5.993 11.443 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 7 +ATOM 10360 O O . ARG A 1 48 ? 8.990 -5.798 11.653 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 7 +ATOM 10361 C CB . ARG A 1 48 ? 5.867 -5.790 13.047 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 7 +ATOM 10362 C CG . ARG A 1 48 ? 4.704 -4.951 13.587 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 7 +ATOM 10363 C CD . ARG A 1 48 ? 5.172 -3.733 14.375 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 7 +ATOM 10364 N NE . ARG A 1 48 ? 5.814 -4.102 15.639 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 7 +ATOM 10365 C CZ . ARG A 1 48 ? 6.666 -3.323 16.329 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 7 +ATOM 10366 N NH1 . ARG A 1 48 ? 7.052 -2.143 15.847 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 7 +ATOM 10367 N NH2 . ARG A 1 48 ? 7.116 -3.726 17.500 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 7 +ATOM 10368 H H . ARG A 1 48 ? 5.073 -4.982 10.797 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 7 +ATOM 10369 H HA . ARG A 1 48 ? 7.237 -4.241 12.535 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 7 +ATOM 10370 H HB2 . ARG A 1 48 ? 5.464 -6.679 12.584 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 7 +ATOM 10371 H HB3 . ARG A 1 48 ? 6.488 -6.079 13.877 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 7 +ATOM 10372 H HG2 . ARG A 1 48 ? 4.108 -4.610 12.753 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 7 +ATOM 10373 H HG3 . ARG A 1 48 ? 4.098 -5.576 14.225 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 7 +ATOM 10374 H HD2 . ARG A 1 48 ? 5.873 -3.172 13.778 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 7 +ATOM 10375 H HD3 . ARG A 1 48 ? 4.316 -3.112 14.594 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 7 +ATOM 10376 H HE . ARG A 1 48 ? 5.548 -4.981 15.994 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 7 +ATOM 10377 H HH11 . ARG A 1 48 ? 6.716 -1.798 14.967 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 7 +ATOM 10378 H HH12 . ARG A 1 48 ? 7.699 -1.552 16.335 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 7 +ATOM 10379 H HH21 . ARG A 1 48 ? 6.829 -4.604 17.890 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 7 +ATOM 10380 H HH22 . ARG A 1 48 ? 7.768 -3.185 18.038 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 7 +ATOM 10381 N N . GLY A 1 49 ? 7.362 -6.981 10.696 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 7 +ATOM 10382 C CA . GLY A 1 49 ? 8.296 -7.948 10.150 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 7 +ATOM 10383 C C . GLY A 1 49 ? 8.148 -8.107 8.666 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 7 +ATOM 10384 O O . GLY A 1 49 ? 7.981 -9.220 8.165 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 7 +ATOM 10385 H H . GLY A 1 49 ? 6.403 -7.067 10.508 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 7 +ATOM 10386 H HA2 . GLY A 1 49 ? 9.302 -7.620 10.370 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 7 +ATOM 10387 H HA3 . GLY A 1 49 ? 8.128 -8.904 10.624 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 7 +ATOM 10388 N N . MET A 1 50 ? 8.189 -7.004 7.962 1.00 0.00 ? ? ? ? ? ? 47 MET A N 7 +ATOM 10389 C CA . MET A 1 50 ? 8.046 -7.001 6.518 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 7 +ATOM 10390 C C . MET A 1 50 ? 9.087 -6.080 5.931 1.00 0.00 ? ? ? ? ? ? 47 MET A C 7 +ATOM 10391 O O . MET A 1 50 ? 9.243 -4.953 6.417 1.00 0.00 ? ? ? ? ? ? 47 MET A O 7 +ATOM 10392 C CB . MET A 1 50 ? 6.659 -6.510 6.110 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 7 +ATOM 10393 C CG . MET A 1 50 ? 5.500 -7.400 6.560 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 7 +ATOM 10394 S SD . MET A 1 50 ? 5.508 -9.034 5.781 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 7 +ATOM 10395 C CE . MET A 1 50 ? 5.178 -8.607 4.073 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 7 +ATOM 10396 H H . MET A 1 50 ? 8.354 -6.152 8.418 1.00 0.00 ? ? ? ? ? ? 47 MET A H 7 +ATOM 10397 H HA . MET A 1 50 ? 8.192 -8.009 6.161 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 7 +ATOM 10398 H HB2 . MET A 1 50 ? 6.546 -5.521 6.528 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 7 +ATOM 10399 H HB3 . MET A 1 50 ? 6.635 -6.423 5.034 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 7 +ATOM 10400 H HG2 . MET A 1 50 ? 5.562 -7.532 7.630 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 7 +ATOM 10401 H HG3 . MET A 1 50 ? 4.571 -6.904 6.317 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 7 +ATOM 10402 H HE1 . MET A 1 50 ? 5.148 -9.510 3.482 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 7 +ATOM 10403 H HE2 . MET A 1 50 ? 5.947 -7.950 3.698 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 7 +ATOM 10404 H HE3 . MET A 1 50 ? 4.216 -8.118 4.016 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 7 +ATOM 10405 N N . PRO A 1 51 ? 9.812 -6.527 4.898 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 7 +ATOM 10406 C CA . PRO A 1 51 ? 10.883 -5.741 4.277 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 7 +ATOM 10407 C C . PRO A 1 51 ? 10.384 -4.445 3.622 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 7 +ATOM 10408 O O . PRO A 1 51 ? 9.746 -4.473 2.556 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 7 +ATOM 10409 C CB . PRO A 1 51 ? 11.484 -6.688 3.225 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 7 +ATOM 10410 C CG . PRO A 1 51 ? 10.415 -7.695 2.962 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 7 +ATOM 10411 C CD . PRO A 1 51 ? 9.659 -7.847 4.250 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 7 +ATOM 10412 H HA . PRO A 1 51 ? 11.635 -5.494 5.010 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 7 +ATOM 10413 H HB2 . PRO A 1 51 ? 11.730 -6.126 2.336 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 7 +ATOM 10414 H HB3 . PRO A 1 51 ? 12.375 -7.154 3.622 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 7 +ATOM 10415 H HG2 . PRO A 1 51 ? 9.760 -7.336 2.182 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 7 +ATOM 10416 H HG3 . PRO A 1 51 ? 10.858 -8.637 2.673 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 7 +ATOM 10417 H HD2 . PRO A 1 51 ? 8.621 -8.063 4.050 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 7 +ATOM 10418 H HD3 . PRO A 1 51 ? 10.097 -8.625 4.857 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 7 +ATOM 10419 N N . ASP A 1 52 ? 10.607 -3.330 4.330 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 7 +ATOM 10420 C CA . ASP A 1 52 ? 10.298 -1.960 3.853 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 7 +ATOM 10421 C C . ASP A 1 52 ? 8.850 -1.796 3.526 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 7 +ATOM 10422 O O . ASP A 1 52 ? 8.485 -1.038 2.621 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 7 +ATOM 10423 C CB . ASP A 1 52 ? 11.157 -1.555 2.637 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 7 +ATOM 10424 C CG . ASP A 1 52 ? 12.587 -1.260 2.994 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 7 +ATOM 10425 O OD1 . ASP A 1 52 ? 13.383 -2.205 3.094 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 7 +ATOM 10426 O OD2 . ASP A 1 52 ? 12.931 -0.073 3.185 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 7 +ATOM 10427 H H . ASP A 1 52 ? 10.983 -3.457 5.226 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 7 +ATOM 10428 H HA . ASP A 1 52 ? 10.526 -1.286 4.666 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 7 +ATOM 10429 H HB2 . ASP A 1 52 ? 11.148 -2.359 1.917 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 7 +ATOM 10430 H HB3 . ASP A 1 52 ? 10.725 -0.675 2.185 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 7 +ATOM 10431 N N . CYS A 1 53 ? 8.008 -2.447 4.282 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 7 +ATOM 10432 C CA . CYS A 1 53 ? 6.622 -2.354 4.013 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 7 +ATOM 10433 C C . CYS A 1 53 ? 5.992 -1.397 4.985 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 7 +ATOM 10434 O O . CYS A 1 53 ? 6.349 -1.361 6.176 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 7 +ATOM 10435 C CB . CYS A 1 53 ? 5.969 -3.724 4.069 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 7 +ATOM 10436 S SG . CYS A 1 53 ? 6.696 -4.940 2.936 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 7 +ATOM 10437 H H . CYS A 1 53 ? 8.318 -2.950 5.062 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 7 +ATOM 10438 H HA . CYS A 1 53 ? 6.504 -1.950 3.019 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 7 +ATOM 10439 H HB2 . CYS A 1 53 ? 6.063 -4.111 5.072 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 7 +ATOM 10440 H HB3 . CYS A 1 53 ? 4.922 -3.625 3.822 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 7 +ATOM 10441 H HG . CYS A 1 53 ? 7.919 -4.525 2.617 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 7 +ATOM 10442 N N . TYR A 1 54 ? 5.080 -0.637 4.488 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 7 +ATOM 10443 C CA . TYR A 1 54 ? 4.404 0.374 5.226 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 7 +ATOM 10444 C C . TYR A 1 54 ? 2.932 0.202 4.966 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 7 +ATOM 10445 O O . TYR A 1 54 ? 2.543 -0.347 3.919 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 7 +ATOM 10446 C CB . TYR A 1 54 ? 4.842 1.779 4.753 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 7 +ATOM 10447 C CG . TYR A 1 54 ? 6.329 2.123 4.900 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 7 +ATOM 10448 C CD1 . TYR A 1 54 ? 7.298 1.522 4.104 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 7 +ATOM 10449 C CD2 . TYR A 1 54 ? 6.747 3.067 5.812 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 7 +ATOM 10450 C CE1 . TYR A 1 54 ? 8.637 1.849 4.223 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 7 +ATOM 10451 C CE2 . TYR A 1 54 ? 8.084 3.399 5.937 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 7 +ATOM 10452 C CZ . TYR A 1 54 ? 9.023 2.785 5.142 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 7 +ATOM 10453 O OH . TYR A 1 54 ? 10.364 3.127 5.266 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 7 +ATOM 10454 H H . TYR A 1 54 ? 4.814 -0.761 3.547 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 7 +ATOM 10455 H HA . TYR A 1 54 ? 4.617 0.261 6.277 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 7 +ATOM 10456 H HB2 . TYR A 1 54 ? 4.600 1.867 3.705 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 7 +ATOM 10457 H HB3 . TYR A 1 54 ? 4.272 2.517 5.299 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 7 +ATOM 10458 H HD1 . TYR A 1 54 ? 6.994 0.778 3.382 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 7 +ATOM 10459 H HD2 . TYR A 1 54 ? 6.015 3.552 6.439 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 7 +ATOM 10460 H HE1 . TYR A 1 54 ? 9.371 1.368 3.593 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 7 +ATOM 10461 H HE2 . TYR A 1 54 ? 8.385 4.139 6.663 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 7 +ATOM 10462 H HH . TYR A 1 54 ? 10.758 3.092 4.382 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 7 +ATOM 10463 N N . LYS A 1 55 ? 2.129 0.625 5.883 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 7 +ATOM 10464 C CA . LYS A 1 55 ? 0.708 0.509 5.753 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 7 +ATOM 10465 C C . LYS A 1 55 ? 0.027 1.849 5.951 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 7 +ATOM 10466 O O . LYS A 1 55 ? 0.421 2.652 6.804 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 7 +ATOM 10467 C CB . LYS A 1 55 ? 0.150 -0.489 6.778 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 7 +ATOM 10468 C CG . LYS A 1 55 ? 0.570 -0.165 8.202 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 7 +ATOM 10469 C CD . LYS A 1 55 ? -0.168 -0.979 9.238 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 7 +ATOM 10470 C CE . LYS A 1 55 ? 0.407 -0.686 10.605 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 7 +ATOM 10471 N NZ . LYS A 1 55 ? -0.391 -1.256 11.701 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 7 +ATOM 10472 H H . LYS A 1 55 ? 2.500 1.042 6.694 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 7 +ATOM 10473 H HA . LYS A 1 55 ? 0.483 0.135 4.766 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 7 +ATOM 10474 H HB2 . LYS A 1 55 ? -0.929 -0.475 6.725 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 7 +ATOM 10475 H HB3 . LYS A 1 55 ? 0.509 -1.478 6.534 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 7 +ATOM 10476 H HG2 . LYS A 1 55 ? 1.628 -0.363 8.301 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 7 +ATOM 10477 H HG3 . LYS A 1 55 ? 0.389 0.885 8.380 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 7 +ATOM 10478 H HD2 . LYS A 1 55 ? -1.213 -0.706 9.223 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 7 +ATOM 10479 H HD3 . LYS A 1 55 ? -0.055 -2.031 9.022 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 7 +ATOM 10480 H HE2 . LYS A 1 55 ? 1.398 -1.110 10.648 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 7 +ATOM 10481 H HE3 . LYS A 1 55 ? 0.480 0.382 10.714 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 7 +ATOM 10482 H HZ1 . LYS A 1 55 ? -1.366 -0.893 11.673 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 7 +ATOM 10483 H HZ2 . LYS A 1 55 ? 0.017 -0.965 12.612 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 7 +ATOM 10484 H HZ3 . LYS A 1 55 ? -0.421 -2.295 11.667 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 7 +ATOM 10485 N N . ILE A 1 56 ? -0.966 2.089 5.161 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 7 +ATOM 10486 C CA . ILE A 1 56 ? -1.817 3.220 5.350 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 7 +ATOM 10487 C C . ILE A 1 56 ? -3.149 2.703 5.792 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 7 +ATOM 10488 O O . ILE A 1 56 ? -3.695 1.793 5.179 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 7 +ATOM 10489 C CB . ILE A 1 56 ? -1.961 4.121 4.091 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 7 +ATOM 10490 C CG1 . ILE A 1 56 ? -0.605 4.757 3.745 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 7 +ATOM 10491 C CG2 . ILE A 1 56 ? -3.036 5.204 4.306 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 7 +ATOM 10492 C CD1 . ILE A 1 56 ? -0.640 5.693 2.557 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 7 +ATOM 10493 H H . ILE A 1 56 ? -1.135 1.465 4.420 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 7 +ATOM 10494 H HA . ILE A 1 56 ? -1.389 3.787 6.160 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 7 +ATOM 10495 H HB . ILE A 1 56 ? -2.273 3.496 3.267 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 7 +ATOM 10496 H HG12 . ILE A 1 56 ? -0.256 5.323 4.596 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 7 +ATOM 10497 H HG13 . ILE A 1 56 ? 0.107 3.972 3.533 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 7 +ATOM 10498 H HG21 . ILE A 1 56 ? -3.137 5.796 3.410 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 7 +ATOM 10499 H HG22 . ILE A 1 56 ? -2.760 5.859 5.121 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 7 +ATOM 10500 H HG23 . ILE A 1 56 ? -3.985 4.739 4.532 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 7 +ATOM 10501 H HD11 . ILE A 1 56 ? -1.015 5.162 1.696 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 7 +ATOM 10502 H HD12 . ILE A 1 56 ? 0.359 6.051 2.356 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 7 +ATOM 10503 H HD13 . ILE A 1 56 ? -1.284 6.529 2.780 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 7 +ATOM 10504 N N . LYS A 1 57 ? -3.648 3.243 6.845 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 7 +ATOM 10505 C CA . LYS A 1 57 ? -4.874 2.785 7.406 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 7 +ATOM 10506 C C . LYS A 1 57 ? -5.930 3.834 7.194 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 7 +ATOM 10507 O O . LYS A 1 57 ? -5.684 5.033 7.396 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 7 +ATOM 10508 C CB . LYS A 1 57 ? -4.750 2.411 8.922 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 7 +ATOM 10509 C CG . LYS A 1 57 ? -4.343 3.552 9.864 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 7 +ATOM 10510 C CD . LYS A 1 57 ? -2.856 3.869 9.806 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 7 +ATOM 10511 C CE . LYS A 1 57 ? -2.576 5.207 10.437 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 7 +ATOM 10512 N NZ . LYS A 1 57 ? -1.153 5.590 10.335 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 7 +ATOM 10513 H H . LYS A 1 57 ? -3.212 4.038 7.211 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 7 +ATOM 10514 H HA . LYS A 1 57 ? -5.155 1.897 6.859 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 7 +ATOM 10515 H HB2 . LYS A 1 57 ? -5.704 2.034 9.260 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 7 +ATOM 10516 H HB3 . LYS A 1 57 ? -4.023 1.618 9.018 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 7 +ATOM 10517 H HG2 . LYS A 1 57 ? -4.894 4.438 9.588 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 7 +ATOM 10518 H HG3 . LYS A 1 57 ? -4.607 3.275 10.875 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 7 +ATOM 10519 H HD2 . LYS A 1 57 ? -2.339 3.111 10.375 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 7 +ATOM 10520 H HD3 . LYS A 1 57 ? -2.471 3.855 8.801 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 7 +ATOM 10521 H HE2 . LYS A 1 57 ? -3.181 5.929 9.908 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 7 +ATOM 10522 H HE3 . LYS A 1 57 ? -2.877 5.170 11.473 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 7 +ATOM 10523 H HZ1 . LYS A 1 57 ? -0.827 5.579 9.348 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 7 +ATOM 10524 H HZ2 . LYS A 1 57 ? -0.538 4.957 10.884 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 7 +ATOM 10525 H HZ3 . LYS A 1 57 ? -1.031 6.560 10.688 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 7 +ATOM 10526 N N . LEU A 1 58 ? -7.072 3.418 6.749 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 7 +ATOM 10527 C CA . LEU A 1 58 ? -8.153 4.321 6.574 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 7 +ATOM 10528 C C . LEU A 1 58 ? -8.856 4.363 7.913 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 7 +ATOM 10529 O O . LEU A 1 58 ? -9.650 3.467 8.247 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 7 +ATOM 10530 C CB . LEU A 1 58 ? -9.085 3.860 5.445 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 7 +ATOM 10531 C CG . LEU A 1 58 ? -9.795 4.969 4.638 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 7 +ATOM 10532 C CD1 . LEU A 1 58 ? -10.630 4.372 3.543 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 7 +ATOM 10533 C CD2 . LEU A 1 58 ? -10.651 5.864 5.512 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 7 +ATOM 10534 H H . LEU A 1 58 ? -7.187 2.458 6.563 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 7 +ATOM 10535 H HA . LEU A 1 58 ? -7.743 5.298 6.359 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 7 +ATOM 10536 H HB2 . LEU A 1 58 ? -8.503 3.265 4.757 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 7 +ATOM 10537 H HB3 . LEU A 1 58 ? -9.842 3.226 5.884 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 7 +ATOM 10538 H HG . LEU A 1 58 ? -9.039 5.578 4.164 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 7 +ATOM 10539 H HD11 . LEU A 1 58 ? -9.998 3.807 2.874 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 7 +ATOM 10540 H HD12 . LEU A 1 58 ? -11.122 5.165 2.999 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 7 +ATOM 10541 H HD13 . LEU A 1 58 ? -11.374 3.718 3.975 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 7 +ATOM 10542 H HD21 . LEU A 1 58 ? -11.419 5.275 5.990 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 7 +ATOM 10543 H HD22 . LEU A 1 58 ? -11.105 6.628 4.898 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 7 +ATOM 10544 H HD23 . LEU A 1 58 ? -10.024 6.323 6.262 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 7 +ATOM 10545 N N . ARG A 1 59 ? -8.487 5.372 8.674 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 7 +ATOM 10546 C CA . ARG A 1 59 ? -8.859 5.592 10.071 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 7 +ATOM 10547 C C . ARG A 1 59 ? -10.347 5.358 10.364 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 7 +ATOM 10548 O O . ARG A 1 59 ? -10.691 4.752 11.373 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 7 +ATOM 10549 C CB . ARG A 1 59 ? -8.411 7.008 10.475 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 7 +ATOM 10550 C CG . ARG A 1 59 ? -8.642 7.398 11.922 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 7 +ATOM 10551 C CD . ARG A 1 59 ? -8.078 8.782 12.182 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 7 +ATOM 10552 N NE . ARG A 1 59 ? -8.284 9.240 13.562 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 7 +ATOM 10553 C CZ . ARG A 1 59 ? -7.630 10.268 14.128 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 7 +ATOM 10554 N NH1 . ARG A 1 59 ? -6.677 10.915 13.455 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 7 +ATOM 10555 N NH2 . ARG A 1 59 ? -7.929 10.638 15.362 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 7 +ATOM 10556 H H . ARG A 1 59 ? -7.889 6.028 8.257 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 7 +ATOM 10557 H HA . ARG A 1 59 ? -8.289 4.892 10.664 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 7 +ATOM 10558 H HB2 . ARG A 1 59 ? -7.352 7.097 10.282 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 7 +ATOM 10559 H HB3 . ARG A 1 59 ? -8.924 7.721 9.849 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 7 +ATOM 10560 H HG2 . ARG A 1 59 ? -9.702 7.401 12.124 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 7 +ATOM 10561 H HG3 . ARG A 1 59 ? -8.149 6.692 12.571 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 7 +ATOM 10562 H HD2 . ARG A 1 59 ? -7.019 8.767 11.979 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 7 +ATOM 10563 H HD3 . ARG A 1 59 ? -8.555 9.479 11.509 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 7 +ATOM 10564 H HE . ARG A 1 59 ? -8.963 8.749 14.085 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 7 +ATOM 10565 H HH11 . ARG A 1 59 ? -6.406 10.672 12.521 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 7 +ATOM 10566 H HH12 . ARG A 1 59 ? -6.191 11.692 13.865 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 7 +ATOM 10567 H HH21 . ARG A 1 59 ? -8.642 10.155 15.878 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 7 +ATOM 10568 H HH22 . ARG A 1 59 ? -7.479 11.405 15.829 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 7 +ATOM 10569 N N . SER A 1 60 ? -11.208 5.808 9.491 1.00 0.00 ? ? ? ? ? ? 57 SER A N 7 +ATOM 10570 C CA . SER A 1 60 ? -12.631 5.650 9.698 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 7 +ATOM 10571 C C . SER A 1 60 ? -13.148 4.251 9.268 1.00 0.00 ? ? ? ? ? ? 57 SER A C 7 +ATOM 10572 O O . SER A 1 60 ? -13.900 3.609 10.001 1.00 0.00 ? ? ? ? ? ? 57 SER A O 7 +ATOM 10573 C CB . SER A 1 60 ? -13.374 6.767 8.959 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 7 +ATOM 10574 O OG . SER A 1 60 ? -12.848 8.044 9.338 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 7 +ATOM 10575 H H . SER A 1 60 ? -10.874 6.288 8.702 1.00 0.00 ? ? ? ? ? ? 57 SER A H 7 +ATOM 10576 H HA . SER A 1 60 ? -12.818 5.764 10.755 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 7 +ATOM 10577 H HB2 . SER A 1 60 ? -13.249 6.639 7.894 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 7 +ATOM 10578 H HB3 . SER A 1 60 ? -14.424 6.735 9.210 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 7 +ATOM 10579 H HG . SER A 1 60 ? -12.382 7.893 10.170 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 7 +ATOM 10580 N N . SER A 1 61 ? -12.712 3.777 8.118 1.00 0.00 ? ? ? ? ? ? 58 SER A N 7 +ATOM 10581 C CA . SER A 1 61 ? -13.235 2.545 7.553 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 7 +ATOM 10582 C C . SER A 1 61 ? -12.665 1.277 8.232 1.00 0.00 ? ? ? ? ? ? 58 SER A C 7 +ATOM 10583 O O . SER A 1 61 ? -13.380 0.283 8.403 1.00 0.00 ? ? ? ? ? ? 58 SER A O 7 +ATOM 10584 C CB . SER A 1 61 ? -12.930 2.530 6.068 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 7 +ATOM 10585 O OG . SER A 1 61 ? -13.238 3.788 5.498 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 7 +ATOM 10586 H H . SER A 1 61 ? -12.031 4.262 7.608 1.00 0.00 ? ? ? ? ? ? 58 SER A H 7 +ATOM 10587 H HA . SER A 1 61 ? -14.309 2.554 7.672 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 7 +ATOM 10588 H HB2 . SER A 1 61 ? -11.882 2.318 5.916 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 7 +ATOM 10589 H HB3 . SER A 1 61 ? -13.530 1.773 5.585 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 7 +ATOM 10590 H HG . SER A 1 61 ? -14.180 3.840 5.292 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 7 +ATOM 10591 N N . GLY A 1 62 ? -11.406 1.314 8.620 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 7 +ATOM 10592 C CA . GLY A 1 62 ? -10.786 0.135 9.208 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 7 +ATOM 10593 C C . GLY A 1 62 ? -10.045 -0.678 8.164 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 7 +ATOM 10594 O O . GLY A 1 62 ? -9.694 -1.838 8.380 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 7 +ATOM 10595 H H . GLY A 1 62 ? -10.885 2.146 8.539 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 7 +ATOM 10596 H HA2 . GLY A 1 62 ? -10.093 0.445 9.976 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 7 +ATOM 10597 H HA3 . GLY A 1 62 ? -11.553 -0.483 9.649 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 7 +ATOM 10598 N N . TYR A 1 63 ? -9.828 -0.063 7.026 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 7 +ATOM 10599 C CA . TYR A 1 63 ? -9.113 -0.676 5.919 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 7 +ATOM 10600 C C . TYR A 1 63 ? -7.660 -0.279 5.974 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 7 +ATOM 10601 O O . TYR A 1 63 ? -7.317 0.715 6.605 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 7 +ATOM 10602 C CB . TYR A 1 63 ? -9.698 -0.219 4.577 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 7 +ATOM 10603 C CG . TYR A 1 63 ? -10.965 -0.926 4.151 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 7 +ATOM 10604 C CD1 . TYR A 1 63 ? -12.159 -0.773 4.841 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 7 +ATOM 10605 C CD2 . TYR A 1 63 ? -10.959 -1.738 3.029 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 7 +ATOM 10606 C CE1 . TYR A 1 63 ? -13.304 -1.419 4.427 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 7 +ATOM 10607 C CE2 . TYR A 1 63 ? -12.095 -2.383 2.608 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 7 +ATOM 10608 C CZ . TYR A 1 63 ? -13.263 -2.223 3.308 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 7 +ATOM 10609 O OH . TYR A 1 63 ? -14.393 -2.884 2.891 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 7 +ATOM 10610 H H . TYR A 1 63 ? -10.139 0.861 6.948 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 7 +ATOM 10611 H HA . TYR A 1 63 ? -9.212 -1.749 5.996 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 7 +ATOM 10612 H HB2 . TYR A 1 63 ? -9.924 0.836 4.640 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 7 +ATOM 10613 H HB3 . TYR A 1 63 ? -8.954 -0.368 3.809 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 7 +ATOM 10614 H HD1 . TYR A 1 63 ? -12.182 -0.143 5.718 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 7 +ATOM 10615 H HD2 . TYR A 1 63 ? -10.038 -1.863 2.480 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 7 +ATOM 10616 H HE1 . TYR A 1 63 ? -14.226 -1.290 4.975 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 7 +ATOM 10617 H HE2 . TYR A 1 63 ? -12.064 -3.014 1.732 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 7 +ATOM 10618 H HH . TYR A 1 63 ? -15.148 -2.287 3.000 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 7 +ATOM 10619 N N . ARG A 1 64 ? -6.811 -1.051 5.354 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 7 +ATOM 10620 C CA . ARG A 1 64 ? -5.414 -0.736 5.287 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 7 +ATOM 10621 C C . ARG A 1 64 ? -4.807 -1.153 3.970 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 7 +ATOM 10622 O O . ARG A 1 64 ? -5.232 -2.129 3.345 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 7 +ATOM 10623 C CB . ARG A 1 64 ? -4.568 -1.204 6.509 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 7 +ATOM 10624 C CG . ARG A 1 64 ? -4.674 -2.667 6.918 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 7 +ATOM 10625 C CD . ARG A 1 64 ? -6.022 -2.989 7.544 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 7 +ATOM 10626 N NE . ARG A 1 64 ? -6.339 -2.129 8.702 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 7 +ATOM 10627 C CZ . ARG A 1 64 ? -6.865 -2.552 9.870 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 7 +ATOM 10628 N NH1 . ARG A 1 64 ? -7.016 -3.851 10.120 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 7 +ATOM 10629 N NH2 . ARG A 1 64 ? -7.230 -1.670 10.791 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 7 +ATOM 10630 H H . ARG A 1 64 ? -7.121 -1.861 4.887 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 7 +ATOM 10631 H HA . ARG A 1 64 ? -5.417 0.342 5.282 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 7 +ATOM 10632 H HB2 . ARG A 1 64 ? -3.529 -1.015 6.287 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 7 +ATOM 10633 H HB3 . ARG A 1 64 ? -4.840 -0.593 7.357 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 7 +ATOM 10634 H HG2 . ARG A 1 64 ? -4.543 -3.283 6.040 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 7 +ATOM 10635 H HG3 . ARG A 1 64 ? -3.893 -2.890 7.630 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 7 +ATOM 10636 H HD2 . ARG A 1 64 ? -6.788 -2.858 6.792 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 7 +ATOM 10637 H HD3 . ARG A 1 64 ? -6.000 -4.014 7.859 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 7 +ATOM 10638 H HE . ARG A 1 64 ? -6.187 -1.170 8.551 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 7 +ATOM 10639 H HH11 . ARG A 1 64 ? -6.755 -4.563 9.468 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 7 +ATOM 10640 H HH12 . ARG A 1 64 ? -7.399 -4.167 10.992 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 7 +ATOM 10641 H HH21 . ARG A 1 64 ? -7.146 -0.676 10.667 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 7 +ATOM 10642 H HH22 . ARG A 1 64 ? -7.621 -1.960 11.667 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 7 +ATOM 10643 N N . LEU A 1 65 ? -3.851 -0.403 3.547 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 7 +ATOM 10644 C CA . LEU A 1 65 ? -3.171 -0.622 2.308 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 7 +ATOM 10645 C C . LEU A 1 65 ? -1.708 -0.855 2.628 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 7 +ATOM 10646 O O . LEU A 1 65 ? -1.097 -0.056 3.333 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 7 +ATOM 10647 C CB . LEU A 1 65 ? -3.397 0.623 1.407 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 7 +ATOM 10648 C CG . LEU A 1 65 ? -2.854 0.603 -0.037 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 7 +ATOM 10649 C CD1 . LEU A 1 65 ? -3.530 1.685 -0.848 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 7 +ATOM 10650 C CD2 . LEU A 1 65 ? -1.367 0.851 -0.064 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 7 +ATOM 10651 H H . LEU A 1 65 ? -3.576 0.362 4.101 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 7 +ATOM 10652 H HA . LEU A 1 65 ? -3.583 -1.497 1.828 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 7 +ATOM 10653 H HB2 . LEU A 1 65 ? -4.461 0.794 1.352 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 7 +ATOM 10654 H HB3 . LEU A 1 65 ? -2.960 1.469 1.917 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 7 +ATOM 10655 H HG . LEU A 1 65 ? -3.057 -0.353 -0.495 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 7 +ATOM 10656 H HD11 . LEU A 1 65 ? -3.135 1.663 -1.854 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 7 +ATOM 10657 H HD12 . LEU A 1 65 ? -3.336 2.648 -0.399 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 7 +ATOM 10658 H HD13 . LEU A 1 65 ? -4.595 1.503 -0.876 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 7 +ATOM 10659 H HD21 . LEU A 1 65 ? -1.173 1.796 0.420 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 7 +ATOM 10660 H HD22 . LEU A 1 65 ? -1.032 0.894 -1.088 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 7 +ATOM 10661 H HD23 . LEU A 1 65 ? -0.852 0.061 0.461 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 7 +ATOM 10662 N N . VAL A 1 66 ? -1.166 -1.946 2.137 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 7 +ATOM 10663 C CA . VAL A 1 66 ? 0.201 -2.323 2.421 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 7 +ATOM 10664 C C . VAL A 1 66 ? 1.056 -2.186 1.172 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 7 +ATOM 10665 O O . VAL A 1 66 ? 0.757 -2.787 0.117 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 7 +ATOM 10666 C CB . VAL A 1 66 ? 0.283 -3.781 2.963 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 7 +ATOM 10667 C CG1 . VAL A 1 66 ? 1.730 -4.197 3.215 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 7 +ATOM 10668 C CG2 . VAL A 1 66 ? -0.533 -3.922 4.242 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 7 +ATOM 10669 H H . VAL A 1 66 ? -1.677 -2.523 1.525 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 7 +ATOM 10670 H HA . VAL A 1 66 ? 0.579 -1.652 3.178 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 7 +ATOM 10671 H HB . VAL A 1 66 ? -0.134 -4.443 2.219 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 7 +ATOM 10672 H HG11 . VAL A 1 66 ? 2.179 -3.509 3.916 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 7 +ATOM 10673 H HG12 . VAL A 1 66 ? 2.280 -4.179 2.286 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 7 +ATOM 10674 H HG13 . VAL A 1 66 ? 1.749 -5.193 3.631 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 7 +ATOM 10675 H HG21 . VAL A 1 66 ? -0.149 -3.243 4.988 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 7 +ATOM 10676 H HG22 . VAL A 1 66 ? -0.461 -4.936 4.608 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 7 +ATOM 10677 H HG23 . VAL A 1 66 ? -1.567 -3.685 4.037 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 7 +ATOM 10678 N N . TYR A 1 67 ? 2.097 -1.409 1.276 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 7 +ATOM 10679 C CA . TYR A 1 67 ? 2.997 -1.200 0.177 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 7 +ATOM 10680 C C . TYR A 1 67 ? 4.435 -1.318 0.634 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 7 +ATOM 10681 O O . TYR A 1 67 ? 4.722 -1.171 1.816 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 7 +ATOM 10682 C CB . TYR A 1 67 ? 2.740 0.166 -0.513 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 7 +ATOM 10683 C CG . TYR A 1 67 ? 2.823 1.415 0.369 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 7 +ATOM 10684 C CD1 . TYR A 1 67 ? 4.009 1.818 0.969 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 7 +ATOM 10685 C CD2 . TYR A 1 67 ? 1.709 2.199 0.568 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 7 +ATOM 10686 C CE1 . TYR A 1 67 ? 4.067 2.957 1.739 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 7 +ATOM 10687 C CE2 . TYR A 1 67 ? 1.759 3.338 1.333 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 7 +ATOM 10688 C CZ . TYR A 1 67 ? 2.943 3.713 1.918 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 7 +ATOM 10689 O OH . TYR A 1 67 ? 3.001 4.848 2.691 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 7 +ATOM 10690 H H . TYR A 1 67 ? 2.288 -0.969 2.137 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 7 +ATOM 10691 H HA . TYR A 1 67 ? 2.805 -1.985 -0.539 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 7 +ATOM 10692 H HB2 . TYR A 1 67 ? 3.444 0.299 -1.319 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 7 +ATOM 10693 H HB3 . TYR A 1 67 ? 1.748 0.139 -0.937 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 7 +ATOM 10694 H HD1 . TYR A 1 67 ? 4.897 1.219 0.827 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 7 +ATOM 10695 H HD2 . TYR A 1 67 ? 0.781 1.900 0.106 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 7 +ATOM 10696 H HE1 . TYR A 1 67 ? 5.000 3.254 2.195 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 7 +ATOM 10697 H HE2 . TYR A 1 67 ? 0.866 3.932 1.462 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 7 +ATOM 10698 H HH . TYR A 1 67 ? 3.819 5.317 2.508 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 7 +ATOM 10699 N N . GLN A 1 68 ? 5.317 -1.598 -0.280 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 7 +ATOM 10700 C CA . GLN A 1 68 ? 6.723 -1.628 0.016 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 7 +ATOM 10701 C C . GLN A 1 68 ? 7.366 -0.414 -0.618 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 7 +ATOM 10702 O O . GLN A 1 68 ? 7.092 -0.088 -1.783 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 7 +ATOM 10703 C CB . GLN A 1 68 ? 7.398 -2.939 -0.469 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 7 +ATOM 10704 C CG . GLN A 1 68 ? 7.326 -3.179 -1.975 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 7 +ATOM 10705 C CD . GLN A 1 68 ? 7.988 -4.473 -2.422 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 7 +ATOM 10706 O OE1 . GLN A 1 68 ? 7.354 -5.521 -2.513 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 7 +ATOM 10707 N NE2 . GLN A 1 68 ? 9.263 -4.413 -2.698 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 7 +ATOM 10708 H H . GLN A 1 68 ? 5.012 -1.774 -1.200 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 7 +ATOM 10709 H HA . GLN A 1 68 ? 6.830 -1.539 1.087 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 7 +ATOM 10710 H HB2 . GLN A 1 68 ? 8.441 -2.900 -0.193 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 7 +ATOM 10711 H HB3 . GLN A 1 68 ? 6.943 -3.775 0.040 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 7 +ATOM 10712 H HG2 . GLN A 1 68 ? 6.288 -3.206 -2.268 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 7 +ATOM 10713 H HG3 . GLN A 1 68 ? 7.812 -2.351 -2.469 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 7 +ATOM 10714 H HE21 . GLN A 1 68 ? 9.718 -3.552 -2.596 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 7 +ATOM 10715 H HE22 . GLN A 1 68 ? 9.720 -5.223 -3.017 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 7 +ATOM 10716 N N . VAL A 1 69 ? 8.156 0.289 0.128 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 7 +ATOM 10717 C CA . VAL A 1 69 ? 8.828 1.435 -0.416 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 7 +ATOM 10718 C C . VAL A 1 69 ? 10.212 1.021 -0.807 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 7 +ATOM 10719 O O . VAL A 1 69 ? 11.048 0.720 0.046 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 7 +ATOM 10720 C CB . VAL A 1 69 ? 8.893 2.633 0.580 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 7 +ATOM 10721 C CG1 . VAL A 1 69 ? 9.671 3.803 -0.016 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 7 +ATOM 10722 C CG2 . VAL A 1 69 ? 7.499 3.089 0.956 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 7 +ATOM 10723 H H . VAL A 1 69 ? 8.320 0.004 1.058 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 7 +ATOM 10724 H HA . VAL A 1 69 ? 8.293 1.740 -1.305 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 7 +ATOM 10725 H HB . VAL A 1 69 ? 9.401 2.307 1.475 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 7 +ATOM 10726 H HG11 . VAL A 1 69 ? 9.193 4.132 -0.927 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 7 +ATOM 10727 H HG12 . VAL A 1 69 ? 10.679 3.485 -0.236 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 7 +ATOM 10728 H HG13 . VAL A 1 69 ? 9.700 4.617 0.693 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 7 +ATOM 10729 H HG21 . VAL A 1 69 ? 6.968 3.399 0.069 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 7 +ATOM 10730 H HG22 . VAL A 1 69 ? 7.564 3.917 1.647 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 7 +ATOM 10731 H HG23 . VAL A 1 69 ? 6.972 2.270 1.424 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 7 +ATOM 10732 N N . ILE A 1 70 ? 10.455 0.993 -2.075 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 7 +ATOM 10733 C CA . ILE A 1 70 ? 11.729 0.619 -2.567 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 7 +ATOM 10734 C C . ILE A 1 70 ? 12.468 1.889 -2.881 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 7 +ATOM 10735 O O . ILE A 1 70 ? 12.267 2.473 -3.949 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 7 +ATOM 10736 C CB . ILE A 1 70 ? 11.632 -0.226 -3.861 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 7 +ATOM 10737 C CG1 . ILE A 1 70 ? 10.619 -1.366 -3.693 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 7 +ATOM 10738 C CG2 . ILE A 1 70 ? 13.003 -0.799 -4.197 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 7 +ATOM 10739 C CD1 . ILE A 1 70 ? 10.373 -2.156 -4.964 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 7 +ATOM 10740 H H . ILE A 1 70 ? 9.759 1.254 -2.721 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 7 +ATOM 10741 H HA . ILE A 1 70 ? 12.251 0.058 -1.807 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 7 +ATOM 10742 H HB . ILE A 1 70 ? 11.315 0.417 -4.668 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 7 +ATOM 10743 H HG12 . ILE A 1 70 ? 10.984 -2.054 -2.945 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 7 +ATOM 10744 H HG13 . ILE A 1 70 ? 9.676 -0.957 -3.365 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 7 +ATOM 10745 H HG21 . ILE A 1 70 ? 12.945 -1.364 -5.115 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 7 +ATOM 10746 H HG22 . ILE A 1 70 ? 13.320 -1.451 -3.396 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 7 +ATOM 10747 H HG23 . ILE A 1 70 ? 13.716 0.004 -4.309 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 7 +ATOM 10748 H HD11 . ILE A 1 70 ? 11.301 -2.595 -5.301 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 7 +ATOM 10749 H HD12 . ILE A 1 70 ? 9.989 -1.498 -5.729 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 7 +ATOM 10750 H HD13 . ILE A 1 70 ? 9.655 -2.938 -4.769 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 7 +ATOM 10751 N N . ASP A 1 71 ? 13.281 2.343 -1.955 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 7 +ATOM 10752 C CA . ASP A 1 71 ? 14.021 3.596 -2.140 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 7 +ATOM 10753 C C . ASP A 1 71 ? 15.037 3.426 -3.240 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 7 +ATOM 10754 O O . ASP A 1 71 ? 15.287 4.339 -4.018 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 7 +ATOM 10755 C CB . ASP A 1 71 ? 14.709 4.040 -0.847 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 7 +ATOM 10756 C CG . ASP A 1 71 ? 15.411 5.384 -0.980 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 7 +ATOM 10757 O OD1 . ASP A 1 71 ? 16.598 5.427 -1.357 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 7 +ATOM 10758 O OD2 . ASP A 1 71 ? 14.786 6.423 -0.684 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 7 +ATOM 10759 H H . ASP A 1 71 ? 13.387 1.824 -1.126 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 7 +ATOM 10760 H HA . ASP A 1 71 ? 13.313 4.350 -2.450 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 7 +ATOM 10761 H HB2 . ASP A 1 71 ? 13.973 4.119 -0.061 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 7 +ATOM 10762 H HB3 . ASP A 1 71 ? 15.444 3.300 -0.571 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 7 +ATOM 10763 N N . GLU A 1 72 ? 15.552 2.215 -3.336 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 7 +ATOM 10764 C CA . GLU A 1 72 ? 16.540 1.837 -4.340 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 7 +ATOM 10765 C C . GLU A 1 72 ? 15.992 2.049 -5.764 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 7 +ATOM 10766 O O . GLU A 1 72 ? 16.721 2.427 -6.673 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 7 +ATOM 10767 C CB . GLU A 1 72 ? 16.910 0.370 -4.158 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 7 +ATOM 10768 C CG . GLU A 1 72 ? 17.360 -0.002 -2.750 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 7 +ATOM 10769 C CD . GLU A 1 72 ? 18.578 0.756 -2.295 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 7 +ATOM 10770 O OE1 . GLU A 1 72 ? 19.691 0.457 -2.772 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 7 +ATOM 10771 O OE2 . GLU A 1 72 ? 18.458 1.651 -1.440 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 7 +ATOM 10772 H H . GLU A 1 72 ? 15.265 1.554 -2.671 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 7 +ATOM 10773 H HA . GLU A 1 72 ? 17.426 2.439 -4.197 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 7 +ATOM 10774 H HB2 . GLU A 1 72 ? 16.050 -0.235 -4.406 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 7 +ATOM 10775 H HB3 . GLU A 1 72 ? 17.710 0.132 -4.845 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 7 +ATOM 10776 H HG2 . GLU A 1 72 ? 16.553 0.205 -2.065 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 7 +ATOM 10777 H HG3 . GLU A 1 72 ? 17.579 -1.060 -2.727 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 7 +ATOM 10778 N N . LYS A 1 73 ? 14.699 1.805 -5.939 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 7 +ATOM 10779 C CA . LYS A 1 73 ? 14.057 1.959 -7.242 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 7 +ATOM 10780 C C . LYS A 1 73 ? 13.220 3.231 -7.286 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 7 +ATOM 10781 O O . LYS A 1 73 ? 12.634 3.561 -8.315 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 7 +ATOM 10782 C CB . LYS A 1 73 ? 13.183 0.739 -7.578 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 7 +ATOM 10783 C CG . LYS A 1 73 ? 13.951 -0.555 -7.807 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 7 +ATOM 10784 C CD . LYS A 1 73 ? 13.009 -1.717 -8.114 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 7 +ATOM 10785 C CE . LYS A 1 73 ? 13.776 -3.002 -8.411 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 7 +ATOM 10786 N NZ . LYS A 1 73 ? 12.873 -4.150 -8.644 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 7 +ATOM 10787 H H . LYS A 1 73 ? 14.160 1.537 -5.168 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 7 +ATOM 10788 H HA . LYS A 1 73 ? 14.839 2.042 -7.981 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 7 +ATOM 10789 H HB2 . LYS A 1 73 ? 12.512 0.570 -6.748 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 7 +ATOM 10790 H HB3 . LYS A 1 73 ? 12.604 0.958 -8.463 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 7 +ATOM 10791 H HG2 . LYS A 1 73 ? 14.612 -0.409 -8.647 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 7 +ATOM 10792 H HG3 . LYS A 1 73 ? 14.530 -0.787 -6.925 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 7 +ATOM 10793 H HD2 . LYS A 1 73 ? 12.365 -1.886 -7.262 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 7 +ATOM 10794 H HD3 . LYS A 1 73 ? 12.409 -1.459 -8.975 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 7 +ATOM 10795 H HE2 . LYS A 1 73 ? 14.381 -2.851 -9.292 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 7 +ATOM 10796 H HE3 . LYS A 1 73 ? 14.421 -3.225 -7.573 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 7 +ATOM 10797 H HZ1 . LYS A 1 73 ? 12.200 -3.968 -9.415 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 7 +ATOM 10798 H HZ2 . LYS A 1 73 ? 12.328 -4.391 -7.790 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 7 +ATOM 10799 H HZ3 . LYS A 1 73 ? 13.416 -4.999 -8.899 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 7 +ATOM 10800 N N . VAL A 1 74 ? 13.178 3.932 -6.151 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 7 +ATOM 10801 C CA . VAL A 1 74 ? 12.433 5.190 -5.974 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 7 +ATOM 10802 C C . VAL A 1 74 ? 10.915 4.948 -6.251 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 7 +ATOM 10803 O O . VAL A 1 74 ? 10.179 5.827 -6.692 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 7 +ATOM 10804 C CB . VAL A 1 74 ? 13.028 6.339 -6.888 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 7 +ATOM 10805 C CG1 . VAL A 1 74 ? 12.428 7.706 -6.562 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 7 +ATOM 10806 C CG2 . VAL A 1 74 ? 14.548 6.404 -6.758 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 7 +ATOM 10807 H H . VAL A 1 74 ? 13.687 3.595 -5.383 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 7 +ATOM 10808 H HA . VAL A 1 74 ? 12.537 5.467 -4.935 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 7 +ATOM 10809 H HB . VAL A 1 74 ? 12.789 6.106 -7.916 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 7 +ATOM 10810 H HG11 . VAL A 1 74 ? 11.363 7.675 -6.731 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 7 +ATOM 10811 H HG12 . VAL A 1 74 ? 12.876 8.458 -7.196 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 7 +ATOM 10812 H HG13 . VAL A 1 74 ? 12.622 7.945 -5.527 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 7 +ATOM 10813 H HG21 . VAL A 1 74 ? 14.978 5.461 -7.065 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 7 +ATOM 10814 H HG22 . VAL A 1 74 ? 14.810 6.600 -5.729 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 7 +ATOM 10815 H HG23 . VAL A 1 74 ? 14.931 7.196 -7.384 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 7 +ATOM 10816 N N . VAL A 1 75 ? 10.442 3.772 -5.916 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 7 +ATOM 10817 C CA . VAL A 1 75 ? 9.065 3.435 -6.182 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 7 +ATOM 10818 C C . VAL A 1 75 ? 8.405 2.802 -4.964 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 7 +ATOM 10819 O O . VAL A 1 75 ? 9.018 2.021 -4.227 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 7 +ATOM 10820 C CB . VAL A 1 75 ? 8.912 2.516 -7.448 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 7 +ATOM 10821 C CG1 . VAL A 1 75 ? 9.616 1.184 -7.268 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 7 +ATOM 10822 C CG2 . VAL A 1 75 ? 7.446 2.298 -7.821 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 7 +ATOM 10823 H H . VAL A 1 75 ? 11.019 3.128 -5.452 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 7 +ATOM 10824 H HA . VAL A 1 75 ? 8.551 4.365 -6.380 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 7 +ATOM 10825 H HB . VAL A 1 75 ? 9.396 3.021 -8.271 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 7 +ATOM 10826 H HG11 . VAL A 1 75 ? 9.197 0.670 -6.416 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 7 +ATOM 10827 H HG12 . VAL A 1 75 ? 10.668 1.361 -7.104 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 7 +ATOM 10828 H HG13 . VAL A 1 75 ? 9.478 0.587 -8.157 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 7 +ATOM 10829 H HG21 . VAL A 1 75 ? 6.979 3.248 -8.036 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 7 +ATOM 10830 H HG22 . VAL A 1 75 ? 6.933 1.828 -6.994 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 7 +ATOM 10831 H HG23 . VAL A 1 75 ? 7.388 1.661 -8.691 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 7 +ATOM 10832 N N . VAL A 1 76 ? 7.196 3.197 -4.741 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 7 +ATOM 10833 C CA . VAL A 1 76 ? 6.357 2.667 -3.727 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 7 +ATOM 10834 C C . VAL A 1 76 ? 5.441 1.664 -4.408 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 7 +ATOM 10835 O O . VAL A 1 76 ? 4.627 2.031 -5.258 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 7 +ATOM 10836 C CB . VAL A 1 76 ? 5.518 3.802 -3.089 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 7 +ATOM 10837 C CG1 . VAL A 1 76 ? 4.611 3.272 -2.011 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 7 +ATOM 10838 C CG2 . VAL A 1 76 ? 6.416 4.898 -2.538 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 7 +ATOM 10839 H H . VAL A 1 76 ? 6.810 3.901 -5.310 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 7 +ATOM 10840 H HA . VAL A 1 76 ? 6.960 2.184 -2.972 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 7 +ATOM 10841 H HB . VAL A 1 76 ? 4.900 4.234 -3.863 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 7 +ATOM 10842 H HG11 . VAL A 1 76 ? 3.931 2.549 -2.436 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 7 +ATOM 10843 H HG12 . VAL A 1 76 ? 4.047 4.084 -1.578 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 7 +ATOM 10844 H HG13 . VAL A 1 76 ? 5.203 2.795 -1.244 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 7 +ATOM 10845 H HG21 . VAL A 1 76 ? 7.076 4.484 -1.790 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 7 +ATOM 10846 H HG22 . VAL A 1 76 ? 5.810 5.671 -2.091 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 7 +ATOM 10847 H HG23 . VAL A 1 76 ? 7.003 5.319 -3.341 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 7 +ATOM 10848 N N . PHE A 1 77 ? 5.583 0.432 -4.058 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 7 +ATOM 10849 C CA . PHE A 1 77 ? 4.875 -0.638 -4.710 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 7 +ATOM 10850 C C . PHE A 1 77 ? 3.792 -1.188 -3.802 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 7 +ATOM 10851 O O . PHE A 1 77 ? 4.091 -1.779 -2.764 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 7 +ATOM 10852 C CB . PHE A 1 77 ? 5.893 -1.723 -5.103 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 7 +ATOM 10853 C CG . PHE A 1 77 ? 5.328 -2.958 -5.749 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 7 +ATOM 10854 C CD1 . PHE A 1 77 ? 4.819 -2.916 -7.031 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 7 +ATOM 10855 C CD2 . PHE A 1 77 ? 5.339 -4.169 -5.077 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 7 +ATOM 10856 C CE1 . PHE A 1 77 ? 4.332 -4.057 -7.631 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 7 +ATOM 10857 C CE2 . PHE A 1 77 ? 4.851 -5.310 -5.669 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 7 +ATOM 10858 C CZ . PHE A 1 77 ? 4.349 -5.253 -6.947 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 7 +ATOM 10859 H H . PHE A 1 77 ? 6.185 0.212 -3.310 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 7 +ATOM 10860 H HA . PHE A 1 77 ? 4.423 -0.251 -5.611 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 7 +ATOM 10861 H HB2 . PHE A 1 77 ? 6.602 -1.297 -5.797 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 7 +ATOM 10862 H HB3 . PHE A 1 77 ? 6.426 -2.025 -4.215 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 7 +ATOM 10863 H HD1 . PHE A 1 77 ? 4.806 -1.978 -7.566 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 7 +ATOM 10864 H HD2 . PHE A 1 77 ? 5.733 -4.214 -4.073 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 7 +ATOM 10865 H HE1 . PHE A 1 77 ? 3.935 -4.013 -8.635 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 7 +ATOM 10866 H HE2 . PHE A 1 77 ? 4.863 -6.247 -5.133 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 7 +ATOM 10867 H HZ . PHE A 1 77 ? 3.966 -6.147 -7.417 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 7 +ATOM 10868 N N . VAL A 1 78 ? 2.544 -0.955 -4.168 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 7 +ATOM 10869 C CA . VAL A 1 78 ? 1.410 -1.456 -3.413 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 7 +ATOM 10870 C C . VAL A 1 78 ? 1.299 -2.947 -3.642 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 7 +ATOM 10871 O O . VAL A 1 78 ? 1.151 -3.395 -4.784 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 7 +ATOM 10872 C CB . VAL A 1 78 ? 0.081 -0.751 -3.817 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 7 +ATOM 10873 C CG1 . VAL A 1 78 ? -1.106 -1.300 -3.023 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 7 +ATOM 10874 C CG2 . VAL A 1 78 ? 0.199 0.760 -3.634 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 7 +ATOM 10875 H H . VAL A 1 78 ? 2.382 -0.439 -4.992 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 7 +ATOM 10876 H HA . VAL A 1 78 ? 1.605 -1.286 -2.365 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 7 +ATOM 10877 H HB . VAL A 1 78 ? -0.101 -0.954 -4.861 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 7 +ATOM 10878 H HG11 . VAL A 1 78 ? -1.223 -2.351 -3.243 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 7 +ATOM 10879 H HG12 . VAL A 1 78 ? -2.010 -0.774 -3.295 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 7 +ATOM 10880 H HG13 . VAL A 1 78 ? -0.929 -1.179 -1.965 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 7 +ATOM 10881 H HG21 . VAL A 1 78 ? 0.460 0.983 -2.611 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 7 +ATOM 10882 H HG22 . VAL A 1 78 ? -0.747 1.225 -3.872 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 7 +ATOM 10883 H HG23 . VAL A 1 78 ? 0.964 1.142 -4.294 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 7 +ATOM 10884 N N . ILE A 1 79 ? 1.365 -3.700 -2.569 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 7 +ATOM 10885 C CA . ILE A 1 79 ? 1.390 -5.141 -2.663 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 7 +ATOM 10886 C C . ILE A 1 79 ? -0.001 -5.711 -2.431 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 7 +ATOM 10887 O O . ILE A 1 79 ? -0.442 -6.617 -3.133 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 7 +ATOM 10888 C CB . ILE A 1 79 ? 2.342 -5.749 -1.608 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 7 +ATOM 10889 C CG1 . ILE A 1 79 ? 3.696 -5.041 -1.610 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 7 +ATOM 10890 C CG2 . ILE A 1 79 ? 2.545 -7.218 -1.904 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 7 +ATOM 10891 C CD1 . ILE A 1 79 ? 4.621 -5.510 -0.507 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 7 +ATOM 10892 H H . ILE A 1 79 ? 1.390 -3.276 -1.683 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 7 +ATOM 10893 H HA . ILE A 1 79 ? 1.742 -5.421 -3.644 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 7 +ATOM 10894 H HB . ILE A 1 79 ? 1.889 -5.649 -0.632 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 7 +ATOM 10895 H HG12 . ILE A 1 79 ? 4.188 -5.220 -2.554 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 7 +ATOM 10896 H HG13 . ILE A 1 79 ? 3.542 -3.978 -1.489 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 7 +ATOM 10897 H HG21 . ILE A 1 79 ? 1.607 -7.745 -1.807 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 7 +ATOM 10898 H HG22 . ILE A 1 79 ? 3.284 -7.626 -1.228 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 7 +ATOM 10899 H HG23 . ILE A 1 79 ? 2.904 -7.318 -2.916 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 7 +ATOM 10900 H HD11 . ILE A 1 79 ? 4.752 -6.580 -0.587 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 7 +ATOM 10901 H HD12 . ILE A 1 79 ? 4.206 -5.260 0.458 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 7 +ATOM 10902 H HD13 . ILE A 1 79 ? 5.578 -5.029 -0.628 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 7 +ATOM 10903 N N . SER A 1 80 ? -0.694 -5.169 -1.460 1.00 0.00 ? ? ? ? ? ? 77 SER A N 7 +ATOM 10904 C CA . SER A 1 80 ? -1.995 -5.652 -1.119 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 7 +ATOM 10905 C C . SER A 1 80 ? -2.781 -4.510 -0.493 1.00 0.00 ? ? ? ? ? ? 77 SER A C 7 +ATOM 10906 O O . SER A 1 80 ? -2.190 -3.590 0.090 1.00 0.00 ? ? ? ? ? ? 77 SER A O 7 +ATOM 10907 C CB . SER A 1 80 ? -1.863 -6.841 -0.148 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 7 +ATOM 10908 O OG . SER A 1 80 ? -3.104 -7.503 0.037 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 7 +ATOM 10909 H H . SER A 1 80 ? -0.342 -4.410 -0.946 1.00 0.00 ? ? ? ? ? ? 77 SER A H 7 +ATOM 10910 H HA . SER A 1 80 ? -2.488 -5.979 -2.021 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 7 +ATOM 10911 H HB2 . SER A 1 80 ? -1.152 -7.549 -0.546 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 7 +ATOM 10912 H HB3 . SER A 1 80 ? -1.511 -6.483 0.808 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 7 +ATOM 10913 H HG . SER A 1 80 ? -3.057 -8.330 -0.456 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 7 +ATOM 10914 N N . VAL A 1 81 ? -4.081 -4.546 -0.631 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 7 +ATOM 10915 C CA . VAL A 1 81 ? -4.929 -3.499 -0.121 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 7 +ATOM 10916 C C . VAL A 1 81 ? -6.291 -4.073 0.283 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 7 +ATOM 10917 O O . VAL A 1 81 ? -6.821 -4.963 -0.394 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 7 +ATOM 10918 C CB . VAL A 1 81 ? -5.088 -2.343 -1.171 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 7 +ATOM 10919 C CG1 . VAL A 1 81 ? -5.670 -2.839 -2.487 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 7 +ATOM 10920 C CG2 . VAL A 1 81 ? -5.921 -1.203 -0.624 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 7 +ATOM 10921 H H . VAL A 1 81 ? -4.513 -5.310 -1.067 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 7 +ATOM 10922 H HA . VAL A 1 81 ? -4.454 -3.100 0.762 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 7 +ATOM 10923 H HB . VAL A 1 81 ? -4.099 -1.968 -1.386 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 7 +ATOM 10924 H HG11 . VAL A 1 81 ? -5.763 -2.013 -3.175 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 7 +ATOM 10925 H HG12 . VAL A 1 81 ? -6.646 -3.265 -2.307 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 7 +ATOM 10926 H HG13 . VAL A 1 81 ? -5.022 -3.592 -2.910 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 7 +ATOM 10927 H HG21 . VAL A 1 81 ? -5.445 -0.814 0.263 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 7 +ATOM 10928 H HG22 . VAL A 1 81 ? -6.910 -1.559 -0.380 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 7 +ATOM 10929 H HG23 . VAL A 1 81 ? -5.983 -0.422 -1.368 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 7 +ATOM 10930 N N . GLY A 1 82 ? -6.814 -3.629 1.407 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 7 +ATOM 10931 C CA . GLY A 1 82 ? -8.118 -4.059 1.824 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 7 +ATOM 10932 C C . GLY A 1 82 ? -8.234 -4.168 3.316 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 7 +ATOM 10933 O O . GLY A 1 82 ? -7.736 -3.318 4.054 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 7 +ATOM 10934 H H . GLY A 1 82 ? -6.309 -3.018 1.992 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 7 +ATOM 10935 H HA2 . GLY A 1 82 ? -8.840 -3.335 1.480 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 7 +ATOM 10936 H HA3 . GLY A 1 82 ? -8.336 -5.019 1.382 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 7 +ATOM 10937 N N . LYS A 1 83 ? -8.898 -5.184 3.762 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 7 +ATOM 10938 C CA . LYS A 1 83 ? -9.067 -5.422 5.166 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 7 +ATOM 10939 C C . LYS A 1 83 ? -8.116 -6.504 5.623 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 7 +ATOM 10940 O O . LYS A 1 83 ? -7.623 -7.303 4.815 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 7 +ATOM 10941 C CB . LYS A 1 83 ? -10.518 -5.806 5.491 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 7 +ATOM 10942 C CG . LYS A 1 83 ? -11.516 -4.684 5.262 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 7 +ATOM 10943 C CD . LYS A 1 83 ? -12.945 -5.097 5.607 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 7 +ATOM 10944 C CE . LYS A 1 83 ? -13.507 -6.150 4.657 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 7 +ATOM 10945 N NZ . LYS A 1 83 ? -13.653 -5.650 3.266 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 7 +ATOM 10946 H H . LYS A 1 83 ? -9.285 -5.821 3.124 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 7 +ATOM 10947 H HA . LYS A 1 83 ? -8.825 -4.507 5.686 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 7 +ATOM 10948 H HB2 . LYS A 1 83 ? -10.800 -6.635 4.861 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 7 +ATOM 10949 H HB3 . LYS A 1 83 ? -10.584 -6.115 6.524 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 7 +ATOM 10950 H HG2 . LYS A 1 83 ? -11.242 -3.845 5.884 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 7 +ATOM 10951 H HG3 . LYS A 1 83 ? -11.475 -4.387 4.225 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 7 +ATOM 10952 H HD2 . LYS A 1 83 ? -12.957 -5.503 6.608 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 7 +ATOM 10953 H HD3 . LYS A 1 83 ? -13.577 -4.222 5.573 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 7 +ATOM 10954 H HE2 . LYS A 1 83 ? -12.835 -6.993 4.649 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 7 +ATOM 10955 H HE3 . LYS A 1 83 ? -14.474 -6.460 5.026 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 7 +ATOM 10956 H HZ1 . LYS A 1 83 ? -14.232 -4.785 3.212 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 7 +ATOM 10957 H HZ2 . LYS A 1 83 ? -14.148 -6.357 2.686 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 7 +ATOM 10958 H HZ3 . LYS A 1 83 ? -12.738 -5.467 2.811 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 7 +ATOM 10959 N N . ALA A 1 84 ? -7.852 -6.524 6.890 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 7 +ATOM 10960 C CA . ALA A 1 84 ? -6.987 -7.507 7.472 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 7 +ATOM 10961 C C . ALA A 1 84 ? -7.731 -8.167 8.591 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 7 +ATOM 10962 O O . ALA A 1 84 ? -7.829 -7.613 9.692 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 7 +ATOM 10963 C CB . ALA A 1 84 ? -5.700 -6.864 7.979 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 7 +ATOM 10964 H H . ALA A 1 84 ? -8.283 -5.868 7.480 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 7 +ATOM 10965 H HA . ALA A 1 84 ? -6.746 -8.242 6.719 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 7 +ATOM 10966 H HB1 . ALA A 1 84 ? -5.040 -7.624 8.371 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 7 +ATOM 10967 H HB2 . ALA A 1 84 ? -5.940 -6.163 8.764 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 7 +ATOM 10968 H HB3 . ALA A 1 84 ? -5.212 -6.341 7.171 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 7 +ATOM 10969 N N . GLU A 1 85 ? -8.331 -9.287 8.300 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 7 +ATOM 10970 C CA . GLU A 1 85 ? -9.125 -9.985 9.282 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 7 +ATOM 10971 C C . GLU A 1 85 ? -8.607 -11.393 9.470 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 7 +ATOM 10972 O O . GLU A 1 85 ? -8.503 -11.884 10.589 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 7 +ATOM 10973 C CB . GLU A 1 85 ? -10.595 -9.971 8.863 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 7 +ATOM 10974 C CG . GLU A 1 85 ? -11.123 -8.557 8.641 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 7 +ATOM 10975 C CD . GLU A 1 85 ? -12.542 -8.514 8.175 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 7 +ATOM 10976 O OE1 . GLU A 1 85 ? -12.812 -8.917 7.025 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 7 +ATOM 10977 O OE2 . GLU A 1 85 ? -13.423 -8.061 8.948 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 7 +ATOM 10978 H H . GLU A 1 85 ? -8.245 -9.667 7.393 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 7 +ATOM 10979 H HA . GLU A 1 85 ? -9.024 -9.459 10.218 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 7 +ATOM 10980 H HB2 . GLU A 1 85 ? -10.702 -10.528 7.944 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 7 +ATOM 10981 H HB3 . GLU A 1 85 ? -11.188 -10.439 9.633 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 7 +ATOM 10982 H HG2 . GLU A 1 85 ? -11.060 -8.015 9.572 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 7 +ATOM 10983 H HG3 . GLU A 1 85 ? -10.499 -8.071 7.906 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 7 +ATOM 10984 N N . ALA A 1 86 ? -8.266 -12.032 8.381 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 7 +ATOM 10985 C CA . ALA A 1 86 ? -7.708 -13.368 8.418 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 7 +ATOM 10986 C C . ALA A 1 86 ? -6.366 -13.361 7.705 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 7 +ATOM 10987 O O . ALA A 1 86 ? -5.919 -14.387 7.155 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 7 +ATOM 10988 C CB . ALA A 1 86 ? -8.669 -14.373 7.789 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 7 +ATOM 10989 H H . ALA A 1 86 ? -8.398 -11.607 7.500 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 7 +ATOM 10990 H HA . ALA A 1 86 ? -7.548 -13.628 9.454 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 7 +ATOM 10991 H HB1 . ALA A 1 86 ? -8.830 -14.113 6.754 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 7 +ATOM 10992 H HB2 . ALA A 1 86 ? -9.611 -14.349 8.316 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 7 +ATOM 10993 H HB3 . ALA A 1 86 ? -8.246 -15.365 7.850 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 7 +ATOM 10994 N N . SER A 1 87 ? -5.715 -12.191 7.765 1.00 0.00 ? ? ? ? ? ? 84 SER A N 7 +ATOM 10995 C CA . SER A 1 87 ? -4.390 -11.938 7.195 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 7 +ATOM 10996 C C . SER A 1 87 ? -4.407 -11.850 5.673 1.00 0.00 ? ? ? ? ? ? 84 SER A C 7 +ATOM 10997 O O . SER A 1 87 ? -3.420 -12.187 5.026 1.00 0.00 ? ? ? ? ? ? 84 SER A O 7 +ATOM 10998 C CB . SER A 1 87 ? -3.360 -12.972 7.694 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 7 +ATOM 10999 O OG . SER A 1 87 ? -3.239 -12.908 9.109 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 7 +ATOM 11000 H H . SER A 1 87 ? -6.160 -11.461 8.246 1.00 0.00 ? ? ? ? ? ? 84 SER A H 7 +ATOM 11001 H HA . SER A 1 87 ? -4.094 -10.968 7.561 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 7 +ATOM 11002 H HB2 . SER A 1 87 ? -3.690 -13.962 7.418 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 7 +ATOM 11003 H HB3 . SER A 1 87 ? -2.397 -12.776 7.247 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 7 +ATOM 11004 H HG . SER A 1 87 ? -2.531 -13.505 9.382 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 7 +ATOM 11005 N N . GLU A 1 88 ? -5.486 -11.281 5.115 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 7 +ATOM 11006 C CA . GLU A 1 88 ? -5.632 -11.132 3.666 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 7 +ATOM 11007 C C . GLU A 1 88 ? -4.468 -10.337 3.090 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 7 +ATOM 11008 O O . GLU A 1 88 ? -3.767 -10.798 2.184 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 7 +ATOM 11009 C CB . GLU A 1 88 ? -6.929 -10.381 3.323 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 7 +ATOM 11010 C CG . GLU A 1 88 ? -8.241 -11.109 3.589 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 7 +ATOM 11011 C CD . GLU A 1 88 ? -8.483 -11.459 5.029 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 7 +ATOM 11012 O OE1 . GLU A 1 88 ? -8.260 -10.605 5.928 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 7 +ATOM 11013 O OE2 . GLU A 1 88 ? -8.876 -12.590 5.290 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 7 +ATOM 11014 H H . GLU A 1 88 ? -6.234 -10.966 5.670 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 7 +ATOM 11015 H HA . GLU A 1 88 ? -5.670 -12.113 3.216 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 7 +ATOM 11016 H HB2 . GLU A 1 88 ? -6.948 -9.465 3.894 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 7 +ATOM 11017 H HB3 . GLU A 1 88 ? -6.886 -10.122 2.279 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 7 +ATOM 11018 H HG2 . GLU A 1 88 ? -9.061 -10.492 3.254 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 7 +ATOM 11019 H HG3 . GLU A 1 88 ? -8.238 -12.021 3.009 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 7 +ATOM 11020 N N . VAL A 1 89 ? -4.221 -9.179 3.676 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 7 +ATOM 11021 C CA . VAL A 1 89 ? -3.166 -8.306 3.201 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 7 +ATOM 11022 C C . VAL A 1 89 ? -1.773 -8.841 3.527 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 7 +ATOM 11023 O O . VAL A 1 89 ? -0.839 -8.590 2.798 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 7 +ATOM 11024 C CB . VAL A 1 89 ? -3.316 -6.842 3.712 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 7 +ATOM 11025 C CG1 . VAL A 1 89 ? -4.607 -6.221 3.198 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 7 +ATOM 11026 C CG2 . VAL A 1 89 ? -3.260 -6.772 5.234 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 7 +ATOM 11027 H H . VAL A 1 89 ? -4.787 -8.899 4.425 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 7 +ATOM 11028 H HA . VAL A 1 89 ? -3.253 -8.291 2.124 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 7 +ATOM 11029 H HB . VAL A 1 89 ? -2.494 -6.267 3.311 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 7 +ATOM 11030 H HG11 . VAL A 1 89 ? -5.450 -6.801 3.546 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 7 +ATOM 11031 H HG12 . VAL A 1 89 ? -4.597 -6.209 2.119 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 7 +ATOM 11032 H HG13 . VAL A 1 89 ? -4.691 -5.208 3.565 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 7 +ATOM 11033 H HG21 . VAL A 1 89 ? -2.308 -7.152 5.578 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 7 +ATOM 11034 H HG22 . VAL A 1 89 ? -4.053 -7.379 5.646 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 7 +ATOM 11035 H HG23 . VAL A 1 89 ? -3.379 -5.748 5.556 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 7 +ATOM 11036 N N . TYR A 1 90 ? -1.654 -9.619 4.593 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 7 +ATOM 11037 C CA . TYR A 1 90 ? -0.352 -10.121 5.013 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 7 +ATOM 11038 C C . TYR A 1 90 ? 0.092 -11.276 4.153 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 7 +ATOM 11039 O O . TYR A 1 90 ? 1.217 -11.276 3.653 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 7 +ATOM 11040 C CB . TYR A 1 90 ? -0.330 -10.533 6.484 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 7 +ATOM 11041 C CG . TYR A 1 90 ? -0.473 -9.396 7.471 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 7 +ATOM 11042 C CD1 . TYR A 1 90 ? 0.624 -8.615 7.810 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 7 +ATOM 11043 C CD2 . TYR A 1 90 ? -1.689 -9.121 8.083 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 7 +ATOM 11044 C CE1 . TYR A 1 90 ? 0.515 -7.593 8.730 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 7 +ATOM 11045 C CE2 . TYR A 1 90 ? -1.809 -8.095 8.999 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 7 +ATOM 11046 C CZ . TYR A 1 90 ? -0.704 -7.337 9.323 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 7 +ATOM 11047 O OH . TYR A 1 90 ? -0.817 -6.321 10.252 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 7 +ATOM 11048 H H . TYR A 1 90 ? -2.464 -9.883 5.074 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 7 +ATOM 11049 H HA . TYR A 1 90 ? 0.352 -9.315 4.872 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 7 +ATOM 11050 H HB2 . TYR A 1 90 ? -1.135 -11.228 6.659 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 7 +ATOM 11051 H HB3 . TYR A 1 90 ? 0.606 -11.034 6.685 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 7 +ATOM 11052 H HD1 . TYR A 1 90 ? 1.577 -8.816 7.342 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 7 +ATOM 11053 H HD2 . TYR A 1 90 ? -2.552 -9.717 7.828 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 7 +ATOM 11054 H HE1 . TYR A 1 90 ? 1.381 -6.996 8.975 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 7 +ATOM 11055 H HE2 . TYR A 1 90 ? -2.763 -7.892 9.463 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 7 +ATOM 11056 H HH . TYR A 1 90 ? -1.377 -6.659 10.962 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 7 +ATOM 11057 N N . SER A 1 91 ? -0.798 -12.241 3.957 1.00 0.00 ? ? ? ? ? ? 88 SER A N 7 +ATOM 11058 C CA . SER A 1 91 ? -0.500 -13.414 3.167 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 7 +ATOM 11059 C C . SER A 1 91 ? -0.159 -13.029 1.733 1.00 0.00 ? ? ? ? ? ? 88 SER A C 7 +ATOM 11060 O O . SER A 1 91 ? 0.819 -13.536 1.164 1.00 0.00 ? ? ? ? ? ? 88 SER A O 7 +ATOM 11061 C CB . SER A 1 91 ? -1.675 -14.379 3.206 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 7 +ATOM 11062 O OG . SER A 1 91 ? -1.994 -14.735 4.550 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 7 +ATOM 11063 H H . SER A 1 91 ? -1.693 -12.192 4.361 1.00 0.00 ? ? ? ? ? ? 88 SER A H 7 +ATOM 11064 H HA . SER A 1 91 ? 0.360 -13.896 3.607 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 7 +ATOM 11065 H HB2 . SER A 1 91 ? -2.535 -13.906 2.756 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 7 +ATOM 11066 H HB3 . SER A 1 91 ? -1.426 -15.273 2.655 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 7 +ATOM 11067 H HG . SER A 1 91 ? -2.904 -15.056 4.527 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 7 +ATOM 11068 N N . GLU A 1 92 ? -0.924 -12.101 1.165 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 7 +ATOM 11069 C CA . GLU A 1 92 ? -0.647 -11.643 -0.176 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 7 +ATOM 11070 C C . GLU A 1 92 ? 0.642 -10.859 -0.222 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 7 +ATOM 11071 O O . GLU A 1 92 ? 1.390 -10.976 -1.164 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 7 +ATOM 11072 C CB . GLU A 1 92 ? -1.797 -10.823 -0.763 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 7 +ATOM 11073 C CG . GLU A 1 92 ? -3.056 -11.628 -1.030 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 7 +ATOM 11074 C CD . GLU A 1 92 ? -2.801 -12.809 -1.941 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 7 +ATOM 11075 O OE1 . GLU A 1 92 ? -2.561 -12.619 -3.151 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 7 +ATOM 11076 O OE2 . GLU A 1 92 ? -2.837 -13.962 -1.461 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 7 +ATOM 11077 H H . GLU A 1 92 ? -1.685 -11.721 1.655 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 7 +ATOM 11078 H HA . GLU A 1 92 ? -0.512 -12.529 -0.780 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 7 +ATOM 11079 H HB2 . GLU A 1 92 ? -2.042 -10.030 -0.073 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 7 +ATOM 11080 H HB3 . GLU A 1 92 ? -1.471 -10.382 -1.694 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 7 +ATOM 11081 H HG2 . GLU A 1 92 ? -3.438 -11.997 -0.089 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 7 +ATOM 11082 H HG3 . GLU A 1 92 ? -3.790 -10.986 -1.493 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 7 +ATOM 11083 N N . ALA A 1 93 ? 0.921 -10.099 0.828 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 7 +ATOM 11084 C CA . ALA A 1 93 ? 2.127 -9.300 0.880 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 7 +ATOM 11085 C C . ALA A 1 93 ? 3.370 -10.169 0.922 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 7 +ATOM 11086 O O . ALA A 1 93 ? 4.234 -10.052 0.061 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 7 +ATOM 11087 C CB . ALA A 1 93 ? 2.111 -8.326 2.046 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 7 +ATOM 11088 H H . ALA A 1 93 ? 0.299 -10.072 1.585 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 7 +ATOM 11089 H HA . ALA A 1 93 ? 2.150 -8.728 -0.035 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 7 +ATOM 11090 H HB1 . ALA A 1 93 ? 1.216 -7.723 2.001 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 7 +ATOM 11091 H HB2 . ALA A 1 93 ? 2.979 -7.686 1.994 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 7 +ATOM 11092 H HB3 . ALA A 1 93 ? 2.125 -8.878 2.974 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 7 +ATOM 11093 N N . VAL A 1 94 ? 3.434 -11.078 1.887 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 7 +ATOM 11094 C CA . VAL A 1 94 ? 4.609 -11.927 2.060 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 7 +ATOM 11095 C C . VAL A 1 94 ? 4.828 -12.856 0.845 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 7 +ATOM 11096 O O . VAL A 1 94 ? 5.968 -13.097 0.426 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 7 +ATOM 11097 C CB . VAL A 1 94 ? 4.582 -12.720 3.418 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 7 +ATOM 11098 C CG1 . VAL A 1 94 ? 3.389 -13.655 3.528 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 7 +ATOM 11099 C CG2 . VAL A 1 94 ? 5.883 -13.474 3.652 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 7 +ATOM 11100 H H . VAL A 1 94 ? 2.667 -11.173 2.496 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 7 +ATOM 11101 H HA . VAL A 1 94 ? 5.452 -11.250 2.078 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 7 +ATOM 11102 H HB . VAL A 1 94 ? 4.478 -11.988 4.206 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 7 +ATOM 11103 H HG11 . VAL A 1 94 ? 3.411 -14.365 2.716 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 7 +ATOM 11104 H HG12 . VAL A 1 94 ? 2.477 -13.079 3.481 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 7 +ATOM 11105 H HG13 . VAL A 1 94 ? 3.433 -14.181 4.470 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 7 +ATOM 11106 H HG21 . VAL A 1 94 ? 5.830 -14.008 4.589 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 7 +ATOM 11107 H HG22 . VAL A 1 94 ? 6.708 -12.776 3.680 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 7 +ATOM 11108 H HG23 . VAL A 1 94 ? 6.036 -14.175 2.846 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 7 +ATOM 11109 N N . LYS A 1 95 ? 3.744 -13.327 0.249 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 7 +ATOM 11110 C CA . LYS A 1 95 ? 3.837 -14.172 -0.935 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 7 +ATOM 11111 C C . LYS A 1 95 ? 4.143 -13.366 -2.196 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 7 +ATOM 11112 O O . LYS A 1 95 ? 4.604 -13.914 -3.184 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 7 +ATOM 11113 C CB . LYS A 1 95 ? 2.579 -15.042 -1.141 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 7 +ATOM 11114 C CG . LYS A 1 95 ? 2.593 -16.421 -0.451 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 7 +ATOM 11115 C CD . LYS A 1 95 ? 2.724 -16.344 1.062 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 7 +ATOM 11116 C CE . LYS A 1 95 ? 2.716 -17.734 1.702 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 7 +ATOM 11117 N NZ . LYS A 1 95 ? 1.447 -18.466 1.461 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 7 +ATOM 11118 H H . LYS A 1 95 ? 2.856 -13.102 0.606 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 7 +ATOM 11119 H HA . LYS A 1 95 ? 4.678 -14.829 -0.768 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 7 +ATOM 11120 H HB2 . LYS A 1 95 ? 1.726 -14.496 -0.764 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 7 +ATOM 11121 H HB3 . LYS A 1 95 ? 2.444 -15.197 -2.201 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 7 +ATOM 11122 H HG2 . LYS A 1 95 ? 1.670 -16.931 -0.681 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 7 +ATOM 11123 H HG3 . LYS A 1 95 ? 3.417 -16.993 -0.849 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 7 +ATOM 11124 H HD2 . LYS A 1 95 ? 3.663 -15.863 1.298 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 7 +ATOM 11125 H HD3 . LYS A 1 95 ? 1.904 -15.764 1.460 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 7 +ATOM 11126 H HE2 . LYS A 1 95 ? 3.530 -18.312 1.289 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 7 +ATOM 11127 H HE3 . LYS A 1 95 ? 2.864 -17.627 2.766 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 7 +ATOM 11128 H HZ1 . LYS A 1 95 ? 1.289 -18.638 0.448 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 7 +ATOM 11129 H HZ2 . LYS A 1 95 ? 0.627 -17.935 1.823 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 7 +ATOM 11130 H HZ3 . LYS A 1 95 ? 1.461 -19.386 1.948 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 7 +ATOM 11131 N N . ARG A 1 96 ? 3.904 -12.075 -2.171 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 7 +ATOM 11132 C CA . ARG A 1 96 ? 4.146 -11.282 -3.360 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 7 +ATOM 11133 C C . ARG A 1 96 ? 5.547 -10.667 -3.319 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 7 +ATOM 11134 O O . ARG A 1 96 ? 6.004 -10.028 -4.287 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 7 +ATOM 11135 C CB . ARG A 1 96 ? 3.057 -10.232 -3.554 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 7 +ATOM 11136 C CG . ARG A 1 96 ? 2.950 -9.675 -4.960 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 7 +ATOM 11137 C CD . ARG A 1 96 ? 2.684 -10.790 -5.963 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 7 +ATOM 11138 N NE . ARG A 1 96 ? 2.417 -10.270 -7.289 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 7 +ATOM 11139 C CZ . ARG A 1 96 ? 2.457 -10.952 -8.425 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 7 +ATOM 11140 N NH1 . ARG A 1 96 ? 2.792 -12.242 -8.441 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 7 +ATOM 11141 N NH2 . ARG A 1 96 ? 2.178 -10.329 -9.547 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 7 +ATOM 11142 H H . ARG A 1 96 ? 3.548 -11.643 -1.364 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 7 +ATOM 11143 H HA . ARG A 1 96 ? 4.122 -11.976 -4.187 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 7 +ATOM 11144 H HB2 . ARG A 1 96 ? 2.106 -10.670 -3.292 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 7 +ATOM 11145 H HB3 . ARG A 1 96 ? 3.259 -9.415 -2.878 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 7 +ATOM 11146 H HG2 . ARG A 1 96 ? 2.138 -8.964 -5.001 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 7 +ATOM 11147 H HG3 . ARG A 1 96 ? 3.877 -9.184 -5.219 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 7 +ATOM 11148 H HD2 . ARG A 1 96 ? 3.558 -11.421 -6.023 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 7 +ATOM 11149 H HD3 . ARG A 1 96 ? 1.837 -11.371 -5.633 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 7 +ATOM 11150 H HE . ARG A 1 96 ? 2.165 -9.311 -7.326 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 7 +ATOM 11151 H HH11 . ARG A 1 96 ? 3.025 -12.745 -7.605 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 7 +ATOM 11152 H HH12 . ARG A 1 96 ? 2.819 -12.766 -9.297 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 7 +ATOM 11153 H HH21 . ARG A 1 96 ? 1.940 -9.354 -9.513 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 7 +ATOM 11154 H HH22 . ARG A 1 96 ? 2.160 -10.787 -10.439 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 7 +ATOM 11155 N N . ILE A 1 97 ? 6.218 -10.838 -2.187 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 7 +ATOM 11156 C CA . ILE A 1 97 ? 7.617 -10.488 -2.075 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 7 +ATOM 11157 C C . ILE A 1 97 ? 8.369 -11.572 -2.827 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 7 +ATOM 11158 O O . ILE A 1 97 ? 8.494 -12.703 -2.351 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 7 +ATOM 11159 C CB . ILE A 1 97 ? 8.110 -10.444 -0.590 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 7 +ATOM 11160 C CG1 . ILE A 1 97 ? 7.328 -9.407 0.241 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 7 +ATOM 11161 C CG2 . ILE A 1 97 ? 9.616 -10.165 -0.511 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 7 +ATOM 11162 C CD1 . ILE A 1 97 ? 7.465 -7.973 -0.238 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 7 +ATOM 11163 H H . ILE A 1 97 ? 5.754 -11.222 -1.413 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 7 +ATOM 11164 H HA . ILE A 1 97 ? 7.777 -9.536 -2.559 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 7 +ATOM 11165 H HB . ILE A 1 97 ? 7.941 -11.425 -0.171 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 7 +ATOM 11166 H HG12 . ILE A 1 97 ? 6.276 -9.653 0.212 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 7 +ATOM 11167 H HG13 . ILE A 1 97 ? 7.669 -9.451 1.266 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 7 +ATOM 11168 H HG21 . ILE A 1 97 ? 9.827 -9.212 -0.973 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 7 +ATOM 11169 H HG22 . ILE A 1 97 ? 10.154 -10.943 -1.032 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 7 +ATOM 11170 H HG23 . ILE A 1 97 ? 9.926 -10.141 0.523 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 7 +ATOM 11171 H HD11 . ILE A 1 97 ? 6.891 -7.322 0.405 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 7 +ATOM 11172 H HD12 . ILE A 1 97 ? 7.096 -7.892 -1.249 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 7 +ATOM 11173 H HD13 . ILE A 1 97 ? 8.504 -7.680 -0.208 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 7 +ATOM 11174 N N . LEU A 1 98 ? 8.788 -11.257 -4.011 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 7 +ATOM 11175 C CA . LEU A 1 98 ? 9.395 -12.223 -4.867 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 7 +ATOM 11176 C C . LEU A 1 98 ? 10.675 -11.635 -5.434 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 7 +ATOM 11177 O O . LEU A 1 98 ? 11.748 -11.809 -4.806 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 7 +ATOM 11178 C CB . LEU A 1 98 ? 8.389 -12.592 -5.981 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 7 +ATOM 11179 C CG . LEU A 1 98 ? 8.739 -13.773 -6.885 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 7 +ATOM 11180 C CD1 . LEU A 1 98 ? 8.848 -15.058 -6.079 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 7 +ATOM 11181 C CD2 . LEU A 1 98 ? 7.693 -13.925 -7.981 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 7 +ATOM 11182 O OXT . LEU A 1 98 ? 10.621 -10.955 -6.463 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 7 +ATOM 11183 H H . LEU A 1 98 ? 8.697 -10.337 -4.333 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 7 +ATOM 11184 H HA . LEU A 1 98 ? 9.617 -13.105 -4.286 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 7 +ATOM 11185 H HB2 . LEU A 1 98 ? 7.441 -12.808 -5.512 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 7 +ATOM 11186 H HB3 . LEU A 1 98 ? 8.258 -11.721 -6.605 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 7 +ATOM 11187 H HG . LEU A 1 98 ? 9.693 -13.585 -7.354 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 7 +ATOM 11188 H HD11 . LEU A 1 98 ? 9.636 -14.969 -5.346 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 7 +ATOM 11189 H HD12 . LEU A 1 98 ? 9.065 -15.880 -6.743 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 7 +ATOM 11190 H HD13 . LEU A 1 98 ? 7.910 -15.244 -5.577 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 7 +ATOM 11191 H HD21 . LEU A 1 98 ? 7.950 -14.767 -8.607 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 7 +ATOM 11192 H HD22 . LEU A 1 98 ? 7.666 -13.028 -8.582 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 7 +ATOM 11193 H HD23 . LEU A 1 98 ? 6.723 -14.091 -7.536 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 7 +ATOM 11194 N N . MET A 1 4 ? 10.858 13.903 -0.634 1.00 0.00 ? ? ? ? ? ? 1 MET A N 8 +ATOM 11195 C CA . MET A 1 4 ? 11.185 13.236 -1.882 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 8 +ATOM 11196 C C . MET A 1 4 ? 9.988 12.454 -2.335 1.00 0.00 ? ? ? ? ? ? 1 MET A C 8 +ATOM 11197 O O . MET A 1 4 ? 9.452 11.654 -1.586 1.00 0.00 ? ? ? ? ? ? 1 MET A O 8 +ATOM 11198 C CB . MET A 1 4 ? 12.368 12.306 -1.685 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 8 +ATOM 11199 C CG . MET A 1 4 ? 12.848 11.581 -2.934 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 8 +ATOM 11200 S SD . MET A 1 4 ? 14.229 10.460 -2.583 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 8 +ATOM 11201 C CE . MET A 1 4 ? 14.579 9.818 -4.216 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 8 +ATOM 11202 H H . MET A 1 4 ? 10.601 13.194 0.081 1.00 0.00 ? ? ? ? ? ? 1 MET A H 8 +ATOM 11203 H HA . MET A 1 4 ? 11.427 13.986 -2.620 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 8 +ATOM 11204 H HB2 . MET A 1 4 ? 13.191 12.897 -1.317 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 8 +ATOM 11205 H HB3 . MET A 1 4 ? 12.072 11.570 -0.955 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 8 +ATOM 11206 H HG2 . MET A 1 4 ? 12.028 11.010 -3.342 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 8 +ATOM 11207 H HG3 . MET A 1 4 ? 13.175 12.315 -3.654 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 8 +ATOM 11208 H HE1 . MET A 1 4 ? 15.386 9.104 -4.151 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 8 +ATOM 11209 H HE2 . MET A 1 4 ? 14.869 10.629 -4.868 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 8 +ATOM 11210 H HE3 . MET A 1 4 ? 13.698 9.333 -4.610 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 8 +ATOM 11211 N N . ALA A 1 5 ? 9.589 12.680 -3.544 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 8 +ATOM 11212 C CA . ALA A 1 5 ? 8.419 12.043 -4.102 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 8 +ATOM 11213 C C . ALA A 1 5 ? 8.798 10.781 -4.824 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 8 +ATOM 11214 O O . ALA A 1 5 ? 9.701 10.774 -5.672 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 8 +ATOM 11215 C CB . ALA A 1 5 ? 7.661 12.980 -5.025 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 8 +ATOM 11216 H H . ALA A 1 5 ? 10.145 13.282 -4.079 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 8 +ATOM 11217 H HA . ALA A 1 5 ? 7.772 11.783 -3.277 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 8 +ATOM 11218 H HB1 . ALA A 1 5 ? 8.287 13.249 -5.863 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 8 +ATOM 11219 H HB2 . ALA A 1 5 ? 7.371 13.865 -4.481 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 8 +ATOM 11220 H HB3 . ALA A 1 5 ? 6.776 12.474 -5.385 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 8 +ATOM 11221 N N . TYR A 1 6 ? 8.133 9.728 -4.478 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 8 +ATOM 11222 C CA . TYR A 1 6 ? 8.370 8.432 -5.068 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 8 +ATOM 11223 C C . TYR A 1 6 ? 7.250 8.129 -6.044 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 8 +ATOM 11224 O O . TYR A 1 6 ? 6.234 8.832 -6.065 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 8 +ATOM 11225 C CB . TYR A 1 6 ? 8.411 7.331 -3.982 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 8 +ATOM 11226 C CG . TYR A 1 6 ? 9.573 7.393 -2.987 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 8 +ATOM 11227 C CD1 . TYR A 1 6 ? 9.932 8.573 -2.355 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 8 +ATOM 11228 C CD2 . TYR A 1 6 ? 10.276 6.246 -2.649 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 8 +ATOM 11229 C CE1 . TYR A 1 6 ? 10.945 8.617 -1.428 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 8 +ATOM 11230 C CE2 . TYR A 1 6 ? 11.300 6.285 -1.719 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 8 +ATOM 11231 C CZ . TYR A 1 6 ? 11.629 7.471 -1.112 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 8 +ATOM 11232 O OH . TYR A 1 6 ? 12.639 7.512 -0.166 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 8 +ATOM 11233 H H . TYR A 1 6 ? 7.426 9.824 -3.805 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 8 +ATOM 11234 H HA . TYR A 1 6 ? 9.315 8.458 -5.587 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 8 +ATOM 11235 H HB2 . TYR A 1 6 ? 7.500 7.385 -3.404 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 8 +ATOM 11236 H HB3 . TYR A 1 6 ? 8.445 6.372 -4.475 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 8 +ATOM 11237 H HD1 . TYR A 1 6 ? 9.397 9.478 -2.604 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 8 +ATOM 11238 H HD2 . TYR A 1 6 ? 10.018 5.312 -3.127 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 8 +ATOM 11239 H HE1 . TYR A 1 6 ? 11.189 9.557 -0.957 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 8 +ATOM 11240 H HE2 . TYR A 1 6 ? 11.832 5.384 -1.462 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 8 +ATOM 11241 H HH . TYR A 1 6 ? 13.416 6.997 -0.454 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 8 +ATOM 11242 N N . PHE A 1 7 ? 7.437 7.127 -6.851 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 8 +ATOM 11243 C CA . PHE A 1 7 ? 6.412 6.676 -7.765 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 8 +ATOM 11244 C C . PHE A 1 7 ? 5.479 5.749 -7.018 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 8 +ATOM 11245 O O . PHE A 1 7 ? 5.881 5.132 -6.044 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 8 +ATOM 11246 C CB . PHE A 1 7 ? 7.034 5.947 -8.965 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 8 +ATOM 11247 C CG . PHE A 1 7 ? 7.879 6.818 -9.852 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 8 +ATOM 11248 C CD1 . PHE A 1 7 ? 7.290 7.722 -10.722 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 8 +ATOM 11249 C CD2 . PHE A 1 7 ? 9.263 6.724 -9.826 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 8 +ATOM 11250 C CE1 . PHE A 1 7 ? 8.063 8.514 -11.547 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 8 +ATOM 11251 C CE2 . PHE A 1 7 ? 10.040 7.513 -10.646 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 8 +ATOM 11252 C CZ . PHE A 1 7 ? 9.441 8.410 -11.508 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 8 +ATOM 11253 H H . PHE A 1 7 ? 8.300 6.653 -6.833 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 8 +ATOM 11254 H HA . PHE A 1 7 ? 5.860 7.539 -8.111 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 8 +ATOM 11255 H HB2 . PHE A 1 7 ? 7.681 5.173 -8.581 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 8 +ATOM 11256 H HB3 . PHE A 1 7 ? 6.267 5.482 -9.565 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 8 +ATOM 11257 H HD1 . PHE A 1 7 ? 6.213 7.804 -10.751 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 8 +ATOM 11258 H HD2 . PHE A 1 7 ? 9.732 6.023 -9.153 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 8 +ATOM 11259 H HE1 . PHE A 1 7 ? 7.594 9.214 -12.222 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 8 +ATOM 11260 H HE2 . PHE A 1 7 ? 11.116 7.429 -10.615 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 8 +ATOM 11261 H HZ . PHE A 1 7 ? 10.046 9.030 -12.151 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 8 +ATOM 11262 N N . LEU A 1 8 ? 4.256 5.657 -7.448 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 8 +ATOM 11263 C CA . LEU A 1 8 ? 3.289 4.815 -6.786 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 8 +ATOM 11264 C C . LEU A 1 8 ? 2.692 3.864 -7.808 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 8 +ATOM 11265 O O . LEU A 1 8 ? 2.178 4.299 -8.854 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 8 +ATOM 11266 C CB . LEU A 1 8 ? 2.184 5.704 -6.130 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 8 +ATOM 11267 C CG . LEU A 1 8 ? 1.214 5.069 -5.074 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 8 +ATOM 11268 C CD1 . LEU A 1 8 ? 0.321 3.979 -5.642 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 8 +ATOM 11269 C CD2 . LEU A 1 8 ? 1.975 4.550 -3.870 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 8 +ATOM 11270 H H . LEU A 1 8 ? 3.978 6.163 -8.240 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 8 +ATOM 11271 H HA . LEU A 1 8 ? 3.796 4.252 -6.018 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 8 +ATOM 11272 H HB2 . LEU A 1 8 ? 2.684 6.534 -5.655 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 8 +ATOM 11273 H HB3 . LEU A 1 8 ? 1.583 6.106 -6.932 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 8 +ATOM 11274 H HG . LEU A 1 8 ? 0.557 5.852 -4.727 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 8 +ATOM 11275 H HD11 . LEU A 1 8 ? -0.357 4.401 -6.370 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 8 +ATOM 11276 H HD12 . LEU A 1 8 ? -0.228 3.513 -4.838 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 8 +ATOM 11277 H HD13 . LEU A 1 8 ? 0.939 3.232 -6.119 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 8 +ATOM 11278 H HD21 . LEU A 1 8 ? 1.275 4.138 -3.159 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 8 +ATOM 11279 H HD22 . LEU A 1 8 ? 2.525 5.357 -3.409 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 8 +ATOM 11280 H HD23 . LEU A 1 8 ? 2.657 3.775 -4.187 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 8 +ATOM 11281 N N . ASP A 1 9 ? 2.782 2.595 -7.526 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 8 +ATOM 11282 C CA . ASP A 1 9 ? 2.178 1.570 -8.335 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 8 +ATOM 11283 C C . ASP A 1 9 ? 1.497 0.562 -7.473 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 8 +ATOM 11284 O O . ASP A 1 9 ? 1.818 0.404 -6.290 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 8 +ATOM 11285 C CB . ASP A 1 9 ? 3.168 0.854 -9.264 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 8 +ATOM 11286 C CG . ASP A 1 9 ? 3.435 1.589 -10.545 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 8 +ATOM 11287 O OD1 . ASP A 1 9 ? 2.579 1.521 -11.476 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 8 +ATOM 11288 O OD2 . ASP A 1 9 ? 4.490 2.212 -10.679 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 8 +ATOM 11289 H H . ASP A 1 9 ? 3.282 2.306 -6.727 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 8 +ATOM 11290 H HA . ASP A 1 9 ? 1.429 2.057 -8.941 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 8 +ATOM 11291 H HB2 . ASP A 1 9 ? 4.109 0.731 -8.750 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 8 +ATOM 11292 H HB3 . ASP A 1 9 ? 2.773 -0.123 -9.503 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 8 +ATOM 11293 N N . PHE A 1 10 ? 0.554 -0.098 -8.038 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 8 +ATOM 11294 C CA . PHE A 1 10 ? -0.149 -1.137 -7.365 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 8 +ATOM 11295 C C . PHE A 1 10 ? 0.343 -2.448 -7.911 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 8 +ATOM 11296 O O . PHE A 1 10 ? 0.521 -2.575 -9.136 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 8 +ATOM 11297 C CB . PHE A 1 10 ? -1.662 -1.026 -7.620 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 8 +ATOM 11298 C CG . PHE A 1 10 ? -2.274 0.290 -7.222 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 8 +ATOM 11299 C CD1 . PHE A 1 10 ? -2.706 0.502 -5.928 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 8 +ATOM 11300 C CD2 . PHE A 1 10 ? -2.418 1.313 -8.150 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 8 +ATOM 11301 C CE1 . PHE A 1 10 ? -3.268 1.707 -5.562 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 8 +ATOM 11302 C CE2 . PHE A 1 10 ? -2.978 2.519 -7.789 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 8 +ATOM 11303 C CZ . PHE A 1 10 ? -3.404 2.717 -6.493 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 8 +ATOM 11304 H H . PHE A 1 10 ? 0.320 0.113 -8.967 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 8 +ATOM 11305 H HA . PHE A 1 10 ? 0.043 -1.071 -6.306 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 8 +ATOM 11306 H HB2 . PHE A 1 10 ? -1.845 -1.163 -8.676 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 8 +ATOM 11307 H HB3 . PHE A 1 10 ? -2.165 -1.811 -7.075 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 8 +ATOM 11308 H HD1 . PHE A 1 10 ? -2.599 -0.286 -5.199 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 8 +ATOM 11309 H HD2 . PHE A 1 10 ? -2.085 1.157 -9.165 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 8 +ATOM 11310 H HE1 . PHE A 1 10 ? -3.602 1.861 -4.546 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 8 +ATOM 11311 H HE2 . PHE A 1 10 ? -3.083 3.307 -8.520 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 8 +ATOM 11312 H HZ . PHE A 1 10 ? -3.843 3.661 -6.207 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 8 +ATOM 11313 N N . ASP A 1 11 ? 0.613 -3.396 -7.034 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 8 +ATOM 11314 C CA . ASP A 1 11 ? 0.947 -4.756 -7.456 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 8 +ATOM 11315 C C . ASP A 1 11 ? -0.267 -5.268 -8.178 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 8 +ATOM 11316 O O . ASP A 1 11 ? -1.377 -4.942 -7.770 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 8 +ATOM 11317 C CB . ASP A 1 11 ? 1.213 -5.635 -6.226 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 8 +ATOM 11318 C CG . ASP A 1 11 ? 1.597 -7.055 -6.546 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 8 +ATOM 11319 O OD1 . ASP A 1 11 ? 0.705 -7.883 -6.858 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 8 +ATOM 11320 O OD2 . ASP A 1 11 ? 2.798 -7.380 -6.450 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 8 +ATOM 11321 H H . ASP A 1 11 ? 0.578 -3.214 -6.070 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 8 +ATOM 11322 H HA . ASP A 1 11 ? 1.808 -4.735 -8.107 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 8 +ATOM 11323 H HB2 . ASP A 1 11 ? 2.016 -5.199 -5.652 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 8 +ATOM 11324 H HB3 . ASP A 1 11 ? 0.323 -5.651 -5.615 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 8 +ATOM 11325 N N . GLU A 1 12 ? -0.096 -6.024 -9.235 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 8 +ATOM 11326 C CA . GLU A 1 12 ? -1.236 -6.470 -10.015 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 8 +ATOM 11327 C C . GLU A 1 12 ? -2.278 -7.230 -9.192 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 8 +ATOM 11328 O O . GLU A 1 12 ? -3.464 -7.121 -9.468 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 8 +ATOM 11329 C CB . GLU A 1 12 ? -0.836 -7.236 -11.261 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 8 +ATOM 11330 C CG . GLU A 1 12 ? 0.021 -8.448 -11.020 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 8 +ATOM 11331 C CD . GLU A 1 12 ? 0.228 -9.210 -12.283 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 8 +ATOM 11332 O OE1 . GLU A 1 12 ? 0.993 -8.753 -13.146 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 8 +ATOM 11333 O OE2 . GLU A 1 12 ? -0.412 -10.262 -12.461 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 8 +ATOM 11334 H H . GLU A 1 12 ? 0.816 -6.272 -9.497 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 8 +ATOM 11335 H HA . GLU A 1 12 ? -1.725 -5.559 -10.328 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 8 +ATOM 11336 H HB2 . GLU A 1 12 ? -1.733 -7.562 -11.768 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 8 +ATOM 11337 H HB3 . GLU A 1 12 ? -0.299 -6.566 -11.916 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 8 +ATOM 11338 H HG2 . GLU A 1 12 ? 0.980 -8.132 -10.638 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 8 +ATOM 11339 H HG3 . GLU A 1 12 ? -0.468 -9.090 -10.302 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 8 +ATOM 11340 N N . ARG A 1 13 ? -1.853 -7.947 -8.152 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 8 +ATOM 11341 C CA . ARG A 1 13 ? -2.807 -8.635 -7.298 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 8 +ATOM 11342 C C . ARG A 1 13 ? -3.561 -7.635 -6.439 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 8 +ATOM 11343 O O . ARG A 1 13 ? -4.782 -7.747 -6.248 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 8 +ATOM 11344 C CB . ARG A 1 13 ? -2.158 -9.714 -6.436 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 8 +ATOM 11345 C CG . ARG A 1 13 ? -1.729 -10.957 -7.196 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 8 +ATOM 11346 C CD . ARG A 1 13 ? -1.126 -11.980 -6.249 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 8 +ATOM 11347 N NE . ARG A 1 13 ? -0.838 -13.264 -6.909 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 8 +ATOM 11348 C CZ . ARG A 1 13 ? 0.346 -13.887 -6.881 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 8 +ATOM 11349 N NH1 . ARG A 1 13 ? 1.438 -13.224 -6.511 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 8 +ATOM 11350 N NH2 . ARG A 1 13 ? 0.446 -15.143 -7.299 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 8 +ATOM 11351 H H . ARG A 1 13 ? -0.889 -7.976 -7.936 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 8 +ATOM 11352 H HA . ARG A 1 13 ? -3.518 -9.092 -7.967 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 8 +ATOM 11353 H HB2 . ARG A 1 13 ? -1.283 -9.291 -5.966 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 8 +ATOM 11354 H HB3 . ARG A 1 13 ? -2.859 -10.009 -5.668 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 8 +ATOM 11355 H HG2 . ARG A 1 13 ? -2.587 -11.391 -7.686 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 8 +ATOM 11356 H HG3 . ARG A 1 13 ? -0.994 -10.682 -7.937 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 8 +ATOM 11357 H HD2 . ARG A 1 13 ? -0.214 -11.581 -5.835 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 8 +ATOM 11358 H HD3 . ARG A 1 13 ? -1.828 -12.150 -5.446 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 8 +ATOM 11359 H HE . ARG A 1 13 ? -1.624 -13.697 -7.311 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 8 +ATOM 11360 H HH11 . ARG A 1 13 ? 1.397 -12.251 -6.264 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 8 +ATOM 11361 H HH12 . ARG A 1 13 ? 2.335 -13.664 -6.453 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 8 +ATOM 11362 H HH21 . ARG A 1 13 ? -0.352 -15.644 -7.643 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 8 +ATOM 11363 H HH22 . ARG A 1 13 ? 1.317 -15.642 -7.297 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 8 +ATOM 11364 N N . ALA A 1 14 ? -2.837 -6.646 -5.953 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 8 +ATOM 11365 C CA . ALA A 1 14 ? -3.406 -5.581 -5.153 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 8 +ATOM 11366 C C . ALA A 1 14 ? -4.317 -4.703 -5.991 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 8 +ATOM 11367 O O . ALA A 1 14 ? -5.285 -4.175 -5.496 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 8 +ATOM 11368 C CB . ALA A 1 14 ? -2.321 -4.747 -4.516 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 8 +ATOM 11369 H H . ALA A 1 14 ? -1.878 -6.620 -6.159 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 8 +ATOM 11370 H HA . ALA A 1 14 ? -3.991 -6.038 -4.369 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 8 +ATOM 11371 H HB1 . ALA A 1 14 ? -1.733 -4.270 -5.287 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 8 +ATOM 11372 H HB2 . ALA A 1 14 ? -1.684 -5.380 -3.916 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 8 +ATOM 11373 H HB3 . ALA A 1 14 ? -2.771 -3.990 -3.890 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 8 +ATOM 11374 N N . LEU A 1 15 ? -4.000 -4.575 -7.273 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 8 +ATOM 11375 C CA . LEU A 1 15 ? -4.779 -3.754 -8.190 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 8 +ATOM 11376 C C . LEU A 1 15 ? -6.136 -4.386 -8.404 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 8 +ATOM 11377 O O . LEU A 1 15 ? -7.145 -3.697 -8.542 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 8 +ATOM 11378 C CB . LEU A 1 15 ? -4.053 -3.597 -9.525 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 8 +ATOM 11379 C CG . LEU A 1 15 ? -4.722 -2.692 -10.569 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 8 +ATOM 11380 C CD1 . LEU A 1 15 ? -4.854 -1.265 -10.056 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 8 +ATOM 11381 C CD2 . LEU A 1 15 ? -3.941 -2.723 -11.868 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 8 +ATOM 11382 H H . LEU A 1 15 ? -3.196 -5.041 -7.597 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 8 +ATOM 11383 H HA . LEU A 1 15 ? -4.906 -2.783 -7.735 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 8 +ATOM 11384 H HB2 . LEU A 1 15 ? -3.047 -3.250 -9.342 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 8 +ATOM 11385 H HB3 . LEU A 1 15 ? -3.993 -4.586 -9.951 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 8 +ATOM 11386 H HG . LEU A 1 15 ? -5.717 -3.063 -10.764 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 8 +ATOM 11387 H HD11 . LEU A 1 15 ? -5.317 -0.659 -10.821 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 8 +ATOM 11388 H HD12 . LEU A 1 15 ? -3.877 -0.870 -9.822 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 8 +ATOM 11389 H HD13 . LEU A 1 15 ? -5.471 -1.253 -9.169 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 8 +ATOM 11390 H HD21 . LEU A 1 15 ? -2.940 -2.355 -11.697 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 8 +ATOM 11391 H HD22 . LEU A 1 15 ? -4.436 -2.100 -12.598 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 8 +ATOM 11392 H HD23 . LEU A 1 15 ? -3.893 -3.737 -12.236 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 8 +ATOM 11393 N N . LYS A 1 16 ? -6.151 -5.705 -8.408 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 8 +ATOM 11394 C CA . LYS A 1 16 ? -7.379 -6.462 -8.528 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 8 +ATOM 11395 C C . LYS A 1 16 ? -8.250 -6.178 -7.322 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 8 +ATOM 11396 O O . LYS A 1 16 ? -9.444 -5.948 -7.456 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 8 +ATOM 11397 C CB . LYS A 1 16 ? -7.069 -7.950 -8.624 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 8 +ATOM 11398 C CG . LYS A 1 16 ? -6.225 -8.312 -9.829 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 8 +ATOM 11399 C CD . LYS A 1 16 ? -5.672 -9.711 -9.708 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 8 +ATOM 11400 C CE . LYS A 1 16 ? -4.705 -10.039 -10.842 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 8 +ATOM 11401 N NZ . LYS A 1 16 ? -5.347 -10.011 -12.176 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 8 +ATOM 11402 H H . LYS A 1 16 ? -5.297 -6.179 -8.330 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 8 +ATOM 11403 H HA . LYS A 1 16 ? -7.886 -6.140 -9.425 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 8 +ATOM 11404 H HB2 . LYS A 1 16 ? -6.536 -8.248 -7.733 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 8 +ATOM 11405 H HB3 . LYS A 1 16 ? -7.998 -8.496 -8.679 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 8 +ATOM 11406 H HG2 . LYS A 1 16 ? -6.835 -8.253 -10.717 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 8 +ATOM 11407 H HG3 . LYS A 1 16 ? -5.403 -7.614 -9.904 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 8 +ATOM 11408 H HD2 . LYS A 1 16 ? -5.145 -9.765 -8.767 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 8 +ATOM 11409 H HD3 . LYS A 1 16 ? -6.485 -10.422 -9.702 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 8 +ATOM 11410 H HE2 . LYS A 1 16 ? -3.908 -9.310 -10.832 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 8 +ATOM 11411 H HE3 . LYS A 1 16 ? -4.289 -11.019 -10.664 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 8 +ATOM 11412 H HZ1 . LYS A 1 16 ? -6.150 -10.670 -12.225 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 8 +ATOM 11413 H HZ2 . LYS A 1 16 ? -4.671 -10.327 -12.901 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 8 +ATOM 11414 H HZ3 . LYS A 1 16 ? -5.678 -9.067 -12.454 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 8 +ATOM 11415 N N . GLU A 1 17 ? -7.621 -6.150 -6.151 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 8 +ATOM 11416 C CA . GLU A 1 17 ? -8.304 -5.843 -4.909 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 8 +ATOM 11417 C C . GLU A 1 17 ? -8.746 -4.371 -4.870 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 8 +ATOM 11418 O O . GLU A 1 17 ? -9.807 -4.052 -4.385 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 8 +ATOM 11419 C CB . GLU A 1 17 ? -7.393 -6.147 -3.734 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 8 +ATOM 11420 C CG . GLU A 1 17 ? -6.928 -7.583 -3.692 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 8 +ATOM 11421 C CD . GLU A 1 17 ? -8.073 -8.554 -3.591 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 8 +ATOM 11422 O OE1 . GLU A 1 17 ? -8.721 -8.616 -2.524 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 8 +ATOM 11423 O OE2 . GLU A 1 17 ? -8.360 -9.274 -4.582 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 8 +ATOM 11424 H H . GLU A 1 17 ? -6.664 -6.370 -6.110 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 8 +ATOM 11425 H HA . GLU A 1 17 ? -9.170 -6.483 -4.852 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 8 +ATOM 11426 H HB2 . GLU A 1 17 ? -6.525 -5.507 -3.796 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 8 +ATOM 11427 H HB3 . GLU A 1 17 ? -7.923 -5.932 -2.818 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 8 +ATOM 11428 H HG2 . GLU A 1 17 ? -6.390 -7.786 -4.606 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 8 +ATOM 11429 H HG3 . GLU A 1 17 ? -6.267 -7.716 -2.851 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 8 +ATOM 11430 N N . TRP A 1 18 ? -7.921 -3.508 -5.403 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 8 +ATOM 11431 C CA . TRP A 1 18 ? -8.188 -2.074 -5.490 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 8 +ATOM 11432 C C . TRP A 1 18 ? -9.452 -1.808 -6.321 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 8 +ATOM 11433 O O . TRP A 1 18 ? -10.309 -1.019 -5.932 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 8 +ATOM 11434 C CB . TRP A 1 18 ? -6.955 -1.395 -6.115 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 8 +ATOM 11435 C CG . TRP A 1 18 ? -7.073 0.072 -6.370 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 8 +ATOM 11436 C CD1 . TRP A 1 18 ? -7.345 0.670 -7.563 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 8 +ATOM 11437 C CD2 . TRP A 1 18 ? -6.897 1.122 -5.421 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 8 +ATOM 11438 N NE1 . TRP A 1 18 ? -7.363 2.038 -7.410 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 8 +ATOM 11439 C CE2 . TRP A 1 18 ? -7.087 2.339 -6.105 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 8 +ATOM 11440 C CE3 . TRP A 1 18 ? -6.598 1.152 -4.058 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 8 +ATOM 11441 C CZ2 . TRP A 1 18 ? -6.989 3.570 -5.470 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 8 +ATOM 11442 C CZ3 . TRP A 1 18 ? -6.500 2.372 -3.432 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 8 +ATOM 11443 C CH2 . TRP A 1 18 ? -6.693 3.566 -4.135 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 8 +ATOM 11444 H H . TRP A 1 18 ? -7.056 -3.841 -5.728 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 8 +ATOM 11445 H HA . TRP A 1 18 ? -8.339 -1.685 -4.492 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 8 +ATOM 11446 H HB2 . TRP A 1 18 ? -6.105 -1.542 -5.466 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 8 +ATOM 11447 H HB3 . TRP A 1 18 ? -6.754 -1.879 -7.059 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 8 +ATOM 11448 H HD1 . TRP A 1 18 ? -7.517 0.118 -8.477 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 8 +ATOM 11449 H HE1 . TRP A 1 18 ? -7.539 2.687 -8.127 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 8 +ATOM 11450 H HE3 . TRP A 1 18 ? -6.445 0.241 -3.500 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 8 +ATOM 11451 H HZ2 . TRP A 1 18 ? -7.137 4.500 -6.000 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 8 +ATOM 11452 H HZ3 . TRP A 1 18 ? -6.267 2.415 -2.378 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 8 +ATOM 11453 H HH2 . TRP A 1 18 ? -6.605 4.497 -3.595 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 8 +ATOM 11454 N N . ARG A 1 19 ? -9.560 -2.488 -7.450 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 8 +ATOM 11455 C CA . ARG A 1 19 ? -10.726 -2.359 -8.330 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 8 +ATOM 11456 C C . ARG A 1 19 ? -11.931 -3.097 -7.725 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 8 +ATOM 11457 O O . ARG A 1 19 ? -13.083 -2.844 -8.074 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 8 +ATOM 11458 C CB . ARG A 1 19 ? -10.394 -2.897 -9.724 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 8 +ATOM 11459 C CG . ARG A 1 19 ? -9.223 -2.181 -10.393 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 8 +ATOM 11460 C CD . ARG A 1 19 ? -8.860 -2.815 -11.727 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 8 +ATOM 11461 N NE . ARG A 1 19 ? -9.926 -2.665 -12.725 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 8 +ATOM 11462 C CZ . ARG A 1 19 ? -10.047 -3.373 -13.860 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 8 +ATOM 11463 N NH1 . ARG A 1 19 ? -9.202 -4.367 -14.128 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 8 +ATOM 11464 N NH2 . ARG A 1 19 ? -11.024 -3.082 -14.712 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 8 +ATOM 11465 H H . ARG A 1 19 ? -8.820 -3.085 -7.700 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 8 +ATOM 11466 H HA . ARG A 1 19 ? -10.965 -1.308 -8.398 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 8 +ATOM 11467 H HB2 . ARG A 1 19 ? -10.146 -3.944 -9.639 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 8 +ATOM 11468 H HB3 . ARG A 1 19 ? -11.263 -2.790 -10.356 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 8 +ATOM 11469 H HG2 . ARG A 1 19 ? -9.493 -1.148 -10.559 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 8 +ATOM 11470 H HG3 . ARG A 1 19 ? -8.369 -2.227 -9.734 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 8 +ATOM 11471 H HD2 . ARG A 1 19 ? -7.956 -2.360 -12.101 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 8 +ATOM 11472 H HD3 . ARG A 1 19 ? -8.692 -3.866 -11.552 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 8 +ATOM 11473 H HE . ARG A 1 19 ? -10.578 -1.958 -12.521 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 8 +ATOM 11474 H HH11 . ARG A 1 19 ? -8.458 -4.614 -13.504 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 8 +ATOM 11475 H HH12 . ARG A 1 19 ? -9.273 -4.940 -14.951 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 8 +ATOM 11476 H HH21 . ARG A 1 19 ? -11.679 -2.342 -14.534 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 8 +ATOM 11477 H HH22 . ARG A 1 19 ? -11.164 -3.583 -15.570 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 8 +ATOM 11478 N N . LYS A 1 20 ? -11.628 -4.021 -6.844 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 8 +ATOM 11479 C CA . LYS A 1 20 ? -12.602 -4.807 -6.093 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 8 +ATOM 11480 C C . LYS A 1 20 ? -13.233 -3.951 -4.989 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 8 +ATOM 11481 O O . LYS A 1 20 ? -14.353 -4.219 -4.542 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 8 +ATOM 11482 C CB . LYS A 1 20 ? -11.863 -6.004 -5.504 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 8 +ATOM 11483 C CG . LYS A 1 20 ? -12.581 -6.848 -4.483 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 8 +ATOM 11484 C CD . LYS A 1 20 ? -11.617 -7.891 -3.974 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 8 +ATOM 11485 C CE . LYS A 1 20 ? -12.156 -8.699 -2.828 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 8 +ATOM 11486 N NZ . LYS A 1 20 ? -11.161 -9.690 -2.375 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 8 +ATOM 11487 H H . LYS A 1 20 ? -10.677 -4.200 -6.688 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 8 +ATOM 11488 H HA . LYS A 1 20 ? -13.367 -5.160 -6.768 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 8 +ATOM 11489 H HB2 . LYS A 1 20 ? -11.571 -6.656 -6.312 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 8 +ATOM 11490 H HB3 . LYS A 1 20 ? -10.965 -5.615 -5.046 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 8 +ATOM 11491 H HG2 . LYS A 1 20 ? -12.913 -6.222 -3.668 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 8 +ATOM 11492 H HG3 . LYS A 1 20 ? -13.423 -7.338 -4.946 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 8 +ATOM 11493 H HD2 . LYS A 1 20 ? -11.381 -8.565 -4.782 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 8 +ATOM 11494 H HD3 . LYS A 1 20 ? -10.711 -7.396 -3.656 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 8 +ATOM 11495 H HE2 . LYS A 1 20 ? -12.396 -8.034 -2.010 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 8 +ATOM 11496 H HE3 . LYS A 1 20 ? -13.047 -9.219 -3.147 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 8 +ATOM 11497 H HZ1 . LYS A 1 20 ? -11.459 -10.154 -1.493 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 8 +ATOM 11498 H HZ2 . LYS A 1 20 ? -10.228 -9.233 -2.246 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 8 +ATOM 11499 H HZ3 . LYS A 1 20 ? -11.016 -10.417 -3.104 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 8 +ATOM 11500 N N . LEU A 1 21 ? -12.511 -2.938 -4.549 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 8 +ATOM 11501 C CA . LEU A 1 21 ? -13.011 -1.995 -3.575 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 8 +ATOM 11502 C C . LEU A 1 21 ? -14.121 -1.160 -4.176 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 8 +ATOM 11503 O O . LEU A 1 21 ? -14.334 -1.169 -5.396 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 8 +ATOM 11504 C CB . LEU A 1 21 ? -11.884 -1.080 -3.066 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 8 +ATOM 11505 C CG . LEU A 1 21 ? -11.204 -1.450 -1.736 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 8 +ATOM 11506 C CD1 . LEU A 1 21 ? -10.765 -2.895 -1.690 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 8 +ATOM 11507 C CD2 . LEU A 1 21 ? -10.022 -0.544 -1.514 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 8 +ATOM 11508 H H . LEU A 1 21 ? -11.602 -2.809 -4.895 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 8 +ATOM 11509 H HA . LEU A 1 21 ? -13.406 -2.556 -2.743 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 8 +ATOM 11510 H HB2 . LEU A 1 21 ? -11.121 -1.043 -3.829 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 8 +ATOM 11511 H HB3 . LEU A 1 21 ? -12.296 -0.088 -2.965 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 8 +ATOM 11512 H HG . LEU A 1 21 ? -11.885 -1.289 -0.918 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 8 +ATOM 11513 H HD11 . LEU A 1 21 ? -10.063 -3.086 -2.488 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 8 +ATOM 11514 H HD12 . LEU A 1 21 ? -11.634 -3.523 -1.816 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 8 +ATOM 11515 H HD13 . LEU A 1 21 ? -10.301 -3.104 -0.738 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 8 +ATOM 11516 H HD21 . LEU A 1 21 ? -9.317 -0.665 -2.322 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 8 +ATOM 11517 H HD22 . LEU A 1 21 ? -9.549 -0.791 -0.575 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 8 +ATOM 11518 H HD23 . LEU A 1 21 ? -10.370 0.479 -1.489 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 8 +ATOM 11519 N N . GLY A 1 22 ? -14.819 -0.441 -3.337 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 8 +ATOM 11520 C CA . GLY A 1 22 ? -15.899 0.398 -3.811 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 8 +ATOM 11521 C C . GLY A 1 22 ? -15.369 1.682 -4.402 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 8 +ATOM 11522 O O . GLY A 1 22 ? -14.376 1.681 -5.110 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 8 +ATOM 11523 H H . GLY A 1 22 ? -14.582 -0.484 -2.385 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 8 +ATOM 11524 H HA2 . GLY A 1 22 ? -16.455 -0.137 -4.567 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 8 +ATOM 11525 H HA3 . GLY A 1 22 ? -16.559 0.639 -2.991 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 8 +ATOM 11526 N N . SER A 1 23 ? -16.001 2.767 -4.131 1.00 0.00 ? ? ? ? ? ? 20 SER A N 8 +ATOM 11527 C CA . SER A 1 23 ? -15.499 4.015 -4.610 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 8 +ATOM 11528 C C . SER A 1 23 ? -14.899 4.780 -3.448 1.00 0.00 ? ? ? ? ? ? 20 SER A C 8 +ATOM 11529 O O . SER A 1 23 ? -13.694 4.997 -3.394 1.00 0.00 ? ? ? ? ? ? 20 SER A O 8 +ATOM 11530 C CB . SER A 1 23 ? -16.613 4.830 -5.305 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 8 +ATOM 11531 O OG . SER A 1 23 ? -16.093 6.009 -5.914 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 8 +ATOM 11532 H H . SER A 1 23 ? -16.837 2.727 -3.619 1.00 0.00 ? ? ? ? ? ? 20 SER A H 8 +ATOM 11533 H HA . SER A 1 23 ? -14.718 3.802 -5.325 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 8 +ATOM 11534 H HB2 . SER A 1 23 ? -17.081 4.226 -6.068 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 8 +ATOM 11535 H HB3 . SER A 1 23 ? -17.354 5.114 -4.573 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 8 +ATOM 11536 H HG . SER A 1 23 ? -15.880 6.654 -5.210 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 8 +ATOM 11537 N N . THR A 1 24 ? -15.741 5.059 -2.476 1.00 0.00 ? ? ? ? ? ? 21 THR A N 8 +ATOM 11538 C CA . THR A 1 24 ? -15.437 5.895 -1.325 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 8 +ATOM 11539 C C . THR A 1 24 ? -14.157 5.464 -0.587 1.00 0.00 ? ? ? ? ? ? 21 THR A C 8 +ATOM 11540 O O . THR A 1 24 ? -13.329 6.307 -0.224 1.00 0.00 ? ? ? ? ? ? 21 THR A O 8 +ATOM 11541 C CB . THR A 1 24 ? -16.631 5.864 -0.353 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 8 +ATOM 11542 O OG1 . THR A 1 24 ? -17.835 6.125 -1.094 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 8 +ATOM 11543 C CG2 . THR A 1 24 ? -16.488 6.924 0.726 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 8 +ATOM 11544 H H . THR A 1 24 ? -16.642 4.686 -2.534 1.00 0.00 ? ? ? ? ? ? 21 THR A H 8 +ATOM 11545 H HA . THR A 1 24 ? -15.323 6.911 -1.669 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 8 +ATOM 11546 H HB . THR A 1 24 ? -16.688 4.887 0.102 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 8 +ATOM 11547 H HG1 . THR A 1 24 ? -17.732 7.023 -1.446 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 8 +ATOM 11548 H HG21 . THR A 1 24 ? -17.323 6.858 1.408 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 8 +ATOM 11549 H HG22 . THR A 1 24 ? -16.479 7.901 0.267 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 8 +ATOM 11550 H HG23 . THR A 1 24 ? -15.566 6.769 1.267 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 8 +ATOM 11551 N N . VAL A 1 25 ? -13.986 4.166 -0.389 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 8 +ATOM 11552 C CA . VAL A 1 25 ? -12.827 3.670 0.331 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 8 +ATOM 11553 C C . VAL A 1 25 ? -11.544 3.916 -0.456 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 8 +ATOM 11554 O O . VAL A 1 25 ? -10.583 4.472 0.070 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 8 +ATOM 11555 C CB . VAL A 1 25 ? -12.950 2.160 0.617 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 8 +ATOM 11556 C CG1 . VAL A 1 25 ? -11.726 1.663 1.353 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 8 +ATOM 11557 C CG2 . VAL A 1 25 ? -14.205 1.863 1.414 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 8 +ATOM 11558 H H . VAL A 1 25 ? -14.658 3.539 -0.725 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 8 +ATOM 11559 H HA . VAL A 1 25 ? -12.769 4.193 1.274 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 8 +ATOM 11560 H HB . VAL A 1 25 ? -13.012 1.642 -0.328 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 8 +ATOM 11561 H HG11 . VAL A 1 25 ? -11.825 0.605 1.547 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 8 +ATOM 11562 H HG12 . VAL A 1 25 ? -11.630 2.193 2.290 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 8 +ATOM 11563 H HG13 . VAL A 1 25 ? -10.850 1.837 0.748 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 8 +ATOM 11564 H HG21 . VAL A 1 25 ? -15.068 2.193 0.855 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 8 +ATOM 11565 H HG22 . VAL A 1 25 ? -14.162 2.378 2.361 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 8 +ATOM 11566 H HG23 . VAL A 1 25 ? -14.275 0.799 1.585 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 8 +ATOM 11567 N N . ARG A 1 26 ? -11.563 3.562 -1.722 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 8 +ATOM 11568 C CA . ARG A 1 26 ? -10.401 3.731 -2.555 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 8 +ATOM 11569 C C . ARG A 1 26 ? -10.086 5.186 -2.836 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 8 +ATOM 11570 O O . ARG A 1 26 ? -8.930 5.543 -2.959 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 8 +ATOM 11571 C CB . ARG A 1 26 ? -10.389 2.873 -3.800 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 8 +ATOM 11572 C CG . ARG A 1 26 ? -11.611 2.939 -4.658 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 8 +ATOM 11573 C CD . ARG A 1 26 ? -11.241 2.461 -6.041 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 8 +ATOM 11574 N NE . ARG A 1 26 ? -12.395 2.200 -6.893 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 8 +ATOM 11575 C CZ . ARG A 1 26 ? -12.347 2.131 -8.227 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 8 +ATOM 11576 N NH1 . ARG A 1 26 ? -11.249 2.492 -8.880 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 8 +ATOM 11577 N NH2 . ARG A 1 26 ? -13.400 1.716 -8.909 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 8 +ATOM 11578 H H . ARG A 1 26 ? -12.384 3.200 -2.107 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 8 +ATOM 11579 H HA . ARG A 1 26 ? -9.594 3.404 -1.916 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 8 +ATOM 11580 H HB2 . ARG A 1 26 ? -9.545 3.152 -4.410 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 8 +ATOM 11581 H HB3 . ARG A 1 26 ? -10.265 1.840 -3.500 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 8 +ATOM 11582 H HG2 . ARG A 1 26 ? -12.326 2.252 -4.226 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 8 +ATOM 11583 H HG3 . ARG A 1 26 ? -12.045 3.931 -4.662 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 8 +ATOM 11584 H HD2 . ARG A 1 26 ? -10.622 3.225 -6.489 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 8 +ATOM 11585 H HD3 . ARG A 1 26 ? -10.661 1.555 -5.943 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 8 +ATOM 11586 H HE . ARG A 1 26 ? -13.220 1.989 -6.390 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 8 +ATOM 11587 H HH11 . ARG A 1 26 ? -10.426 2.826 -8.416 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 8 +ATOM 11588 H HH12 . ARG A 1 26 ? -11.197 2.447 -9.880 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 8 +ATOM 11589 H HH21 . ARG A 1 26 ? -14.253 1.437 -8.461 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 8 +ATOM 11590 H HH22 . ARG A 1 26 ? -13.385 1.644 -9.911 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 8 +ATOM 11591 N N . GLU A 1 27 ? -11.120 6.013 -2.945 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 8 +ATOM 11592 C CA . GLU A 1 27 ? -10.947 7.453 -3.124 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 8 +ATOM 11593 C C . GLU A 1 27 ? -10.100 8.014 -1.994 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 8 +ATOM 11594 O O . GLU A 1 27 ? -9.133 8.741 -2.226 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 8 +ATOM 11595 C CB . GLU A 1 27 ? -12.311 8.145 -3.115 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 8 +ATOM 11596 C CG . GLU A 1 27 ? -13.120 7.961 -4.382 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 8 +ATOM 11597 C CD . GLU A 1 27 ? -14.486 8.586 -4.289 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 8 +ATOM 11598 O OE1 . GLU A 1 27 ? -14.590 9.834 -4.332 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 8 +ATOM 11599 O OE2 . GLU A 1 27 ? -15.483 7.846 -4.184 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 8 +ATOM 11600 H H . GLU A 1 27 ? -12.035 5.653 -2.928 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 8 +ATOM 11601 H HA . GLU A 1 27 ? -10.463 7.634 -4.071 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 8 +ATOM 11602 H HB2 . GLU A 1 27 ? -12.877 7.703 -2.307 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 8 +ATOM 11603 H HB3 . GLU A 1 27 ? -12.199 9.196 -2.900 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 8 +ATOM 11604 H HG2 . GLU A 1 27 ? -12.584 8.416 -5.203 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 8 +ATOM 11605 H HG3 . GLU A 1 27 ? -13.234 6.904 -4.571 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 8 +ATOM 11606 N N . GLN A 1 28 ? -10.429 7.610 -0.789 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 8 +ATOM 11607 C CA . GLN A 1 28 ? -9.711 8.055 0.393 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 8 +ATOM 11608 C C . GLN A 1 28 ? -8.308 7.440 0.446 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 8 +ATOM 11609 O O . GLN A 1 28 ? -7.341 8.116 0.802 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 8 +ATOM 11610 C CB . GLN A 1 28 ? -10.517 7.750 1.657 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 8 +ATOM 11611 C CG . GLN A 1 28 ? -11.812 8.542 1.749 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 8 +ATOM 11612 C CD . GLN A 1 28 ? -12.723 8.072 2.856 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 8 +ATOM 11613 O OE1 . GLN A 1 28 ? -12.650 8.541 4.003 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 8 +ATOM 11614 N NE2 . GLN A 1 28 ? -13.592 7.164 2.523 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 8 +ATOM 11615 H H . GLN A 1 28 ? -11.179 6.980 -0.716 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 8 +ATOM 11616 H HA . GLN A 1 28 ? -9.595 9.125 0.302 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 8 +ATOM 11617 H HB2 . GLN A 1 28 ? -10.751 6.697 1.690 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 8 +ATOM 11618 H HB3 . GLN A 1 28 ? -9.913 8.012 2.512 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 8 +ATOM 11619 H HG2 . GLN A 1 28 ? -11.564 9.573 1.944 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 8 +ATOM 11620 H HG3 . GLN A 1 28 ? -12.336 8.467 0.807 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 8 +ATOM 11621 H HE21 . GLN A 1 28 ? -13.560 6.882 1.579 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 8 +ATOM 11622 H HE22 . GLN A 1 28 ? -14.228 6.828 3.187 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 8 +ATOM 11623 N N . LEU A 1 29 ? -8.199 6.174 0.057 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 8 +ATOM 11624 C CA . LEU A 1 29 ? -6.908 5.482 0.024 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 8 +ATOM 11625 C C . LEU A 1 29 ? -5.956 6.129 -0.978 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 8 +ATOM 11626 O O . LEU A 1 29 ? -4.790 6.342 -0.671 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 8 +ATOM 11627 C CB . LEU A 1 29 ? -7.076 3.999 -0.305 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 8 +ATOM 11628 C CG . LEU A 1 29 ? -7.773 3.125 0.749 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 8 +ATOM 11629 C CD1 . LEU A 1 29 ? -7.950 1.723 0.221 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 8 +ATOM 11630 C CD2 . LEU A 1 29 ? -6.964 3.086 2.034 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 8 +ATOM 11631 H H . LEU A 1 29 ? -9.011 5.691 -0.207 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 8 +ATOM 11632 H HA . LEU A 1 29 ? -6.469 5.573 1.006 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 8 +ATOM 11633 H HB2 . LEU A 1 29 ? -7.634 3.945 -1.227 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 8 +ATOM 11634 H HB3 . LEU A 1 29 ? -6.092 3.592 -0.483 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 8 +ATOM 11635 H HG . LEU A 1 29 ? -8.757 3.512 0.972 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 8 +ATOM 11636 H HD11 . LEU A 1 29 ? -6.985 1.292 -0.002 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 8 +ATOM 11637 H HD12 . LEU A 1 29 ? -8.547 1.751 -0.679 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 8 +ATOM 11638 H HD13 . LEU A 1 29 ? -8.449 1.122 0.965 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 8 +ATOM 11639 H HD21 . LEU A 1 29 ? -5.983 2.683 1.827 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 8 +ATOM 11640 H HD22 . LEU A 1 29 ? -7.463 2.452 2.751 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 8 +ATOM 11641 H HD23 . LEU A 1 29 ? -6.865 4.082 2.439 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 8 +ATOM 11642 N N . LYS A 1 30 ? -6.469 6.456 -2.162 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 8 +ATOM 11643 C CA . LYS A 1 30 ? -5.679 7.098 -3.208 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 8 +ATOM 11644 C C . LYS A 1 30 ? -5.112 8.422 -2.707 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 8 +ATOM 11645 O O . LYS A 1 30 ? -3.947 8.748 -2.944 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 8 +ATOM 11646 C CB . LYS A 1 30 ? -6.539 7.362 -4.439 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 8 +ATOM 11647 C CG . LYS A 1 30 ? -5.764 7.985 -5.593 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 8 +ATOM 11648 C CD . LYS A 1 30 ? -6.674 8.437 -6.722 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 8 +ATOM 11649 C CE . LYS A 1 30 ? -7.480 9.667 -6.324 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 8 +ATOM 11650 N NZ . LYS A 1 30 ? -8.420 10.065 -7.378 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 8 +ATOM 11651 H H . LYS A 1 30 ? -7.410 6.235 -2.351 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 8 +ATOM 11652 H HA . LYS A 1 30 ? -4.866 6.441 -3.480 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 8 +ATOM 11653 H HB2 . LYS A 1 30 ? -6.956 6.421 -4.771 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 8 +ATOM 11654 H HB3 . LYS A 1 30 ? -7.345 8.021 -4.155 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 8 +ATOM 11655 H HG2 . LYS A 1 30 ? -5.247 8.846 -5.196 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 8 +ATOM 11656 H HG3 . LYS A 1 30 ? -5.048 7.266 -5.965 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 8 +ATOM 11657 H HD2 . LYS A 1 30 ? -6.074 8.675 -7.588 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 8 +ATOM 11658 H HD3 . LYS A 1 30 ? -7.356 7.636 -6.963 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 8 +ATOM 11659 H HE2 . LYS A 1 30 ? -8.039 9.458 -5.425 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 8 +ATOM 11660 H HE3 . LYS A 1 30 ? -6.792 10.481 -6.140 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 8 +ATOM 11661 H HZ1 . LYS A 1 30 ? -7.939 10.209 -8.288 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 8 +ATOM 11662 H HZ2 . LYS A 1 30 ? -8.889 10.964 -7.149 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 8 +ATOM 11663 H HZ3 . LYS A 1 30 ? -9.153 9.344 -7.518 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 8 +ATOM 11664 N N . LYS A 1 31 ? -5.947 9.172 -2.019 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 8 +ATOM 11665 C CA . LYS A 1 31 ? -5.551 10.446 -1.451 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 8 +ATOM 11666 C C . LYS A 1 31 ? -4.455 10.265 -0.414 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 8 +ATOM 11667 O O . LYS A 1 31 ? -3.523 11.060 -0.345 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 8 +ATOM 11668 C CB . LYS A 1 31 ? -6.748 11.185 -0.879 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 8 +ATOM 11669 C CG . LYS A 1 31 ? -7.775 11.522 -1.934 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 8 +ATOM 11670 C CD . LYS A 1 31 ? -8.953 12.255 -1.357 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 8 +ATOM 11671 C CE . LYS A 1 31 ? -9.984 12.517 -2.420 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 8 +ATOM 11672 N NZ . LYS A 1 31 ? -11.137 13.283 -1.914 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 8 +ATOM 11673 H H . LYS A 1 31 ? -6.866 8.846 -1.907 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 8 +ATOM 11674 H HA . LYS A 1 31 ? -5.152 11.023 -2.272 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 8 +ATOM 11675 H HB2 . LYS A 1 31 ? -7.216 10.570 -0.124 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 8 +ATOM 11676 H HB3 . LYS A 1 31 ? -6.410 12.108 -0.432 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 8 +ATOM 11677 H HG2 . LYS A 1 31 ? -7.313 12.141 -2.689 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 8 +ATOM 11678 H HG3 . LYS A 1 31 ? -8.118 10.602 -2.386 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 8 +ATOM 11679 H HD2 . LYS A 1 31 ? -9.393 11.656 -0.573 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 8 +ATOM 11680 H HD3 . LYS A 1 31 ? -8.612 13.197 -0.955 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 8 +ATOM 11681 H HE2 . LYS A 1 31 ? -9.511 13.077 -3.212 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 8 +ATOM 11682 H HE3 . LYS A 1 31 ? -10.323 11.566 -2.805 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 8 +ATOM 11683 H HZ1 . LYS A 1 31 ? -11.580 12.811 -1.101 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 8 +ATOM 11684 H HZ2 . LYS A 1 31 ? -11.865 13.347 -2.655 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 8 +ATOM 11685 H HZ3 . LYS A 1 31 ? -10.878 14.249 -1.630 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 8 +ATOM 11686 N N . LYS A 1 32 ? -4.550 9.193 0.356 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 8 +ATOM 11687 C CA . LYS A 1 32 ? -3.517 8.844 1.323 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 8 +ATOM 11688 C C . LYS A 1 32 ? -2.205 8.514 0.642 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 8 +ATOM 11689 O O . LYS A 1 32 ? -1.136 8.868 1.125 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 8 +ATOM 11690 C CB . LYS A 1 32 ? -3.955 7.695 2.229 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 8 +ATOM 11691 C CG . LYS A 1 32 ? -4.455 8.151 3.583 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 8 +ATOM 11692 C CD . LYS A 1 32 ? -5.655 9.061 3.486 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 8 +ATOM 11693 C CE . LYS A 1 32 ? -5.952 9.675 4.828 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 8 +ATOM 11694 N NZ . LYS A 1 32 ? -4.860 10.583 5.263 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 8 +ATOM 11695 H H . LYS A 1 32 ? -5.349 8.628 0.274 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 8 +ATOM 11696 H HA . LYS A 1 32 ? -3.359 9.717 1.937 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 8 +ATOM 11697 H HB2 . LYS A 1 32 ? -4.752 7.153 1.742 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 8 +ATOM 11698 H HB3 . LYS A 1 32 ? -3.118 7.030 2.380 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 8 +ATOM 11699 H HG2 . LYS A 1 32 ? -4.738 7.286 4.163 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 8 +ATOM 11700 H HG3 . LYS A 1 32 ? -3.658 8.674 4.087 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 8 +ATOM 11701 H HD2 . LYS A 1 32 ? -5.449 9.845 2.771 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 8 +ATOM 11702 H HD3 . LYS A 1 32 ? -6.509 8.487 3.160 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 8 +ATOM 11703 H HE2 . LYS A 1 32 ? -6.894 10.200 4.805 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 8 +ATOM 11704 H HE3 . LYS A 1 32 ? -6.001 8.848 5.524 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 8 +ATOM 11705 H HZ1 . LYS A 1 32 ? -3.996 10.048 5.477 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 8 +ATOM 11706 H HZ2 . LYS A 1 32 ? -5.121 11.126 6.110 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 8 +ATOM 11707 H HZ3 . LYS A 1 32 ? -4.622 11.263 4.506 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 8 +ATOM 11708 N N . LEU A 1 33 ? -2.296 7.863 -0.482 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 8 +ATOM 11709 C CA . LEU A 1 33 ? -1.132 7.498 -1.251 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 8 +ATOM 11710 C C . LEU A 1 33 ? -0.459 8.737 -1.840 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 8 +ATOM 11711 O O . LEU A 1 33 ? 0.757 8.894 -1.748 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 8 +ATOM 11712 C CB . LEU A 1 33 ? -1.521 6.518 -2.357 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 8 +ATOM 11713 C CG . LEU A 1 33 ? -2.168 5.211 -1.884 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 8 +ATOM 11714 C CD1 . LEU A 1 33 ? -2.590 4.359 -3.061 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 8 +ATOM 11715 C CD2 . LEU A 1 33 ? -1.225 4.439 -0.971 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 8 +ATOM 11716 H H . LEU A 1 33 ? -3.189 7.600 -0.798 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 8 +ATOM 11717 H HA . LEU A 1 33 ? -0.432 7.010 -0.590 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 8 +ATOM 11718 H HB2 . LEU A 1 33 ? -2.211 7.017 -3.021 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 8 +ATOM 11719 H HB3 . LEU A 1 33 ? -0.630 6.270 -2.914 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 8 +ATOM 11720 H HG . LEU A 1 33 ? -3.058 5.452 -1.321 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 8 +ATOM 11721 H HD11 . LEU A 1 33 ? -1.726 4.119 -3.661 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 8 +ATOM 11722 H HD12 . LEU A 1 33 ? -3.304 4.902 -3.662 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 8 +ATOM 11723 H HD13 . LEU A 1 33 ? -3.042 3.447 -2.700 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 8 +ATOM 11724 H HD21 . LEU A 1 33 ? -0.303 4.234 -1.494 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 8 +ATOM 11725 H HD22 . LEU A 1 33 ? -1.691 3.509 -0.682 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 8 +ATOM 11726 H HD23 . LEU A 1 33 ? -1.020 5.026 -0.087 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 8 +ATOM 11727 N N . VAL A 1 34 ? -1.251 9.633 -2.405 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 8 +ATOM 11728 C CA . VAL A 1 34 ? -0.696 10.820 -3.031 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 8 +ATOM 11729 C C . VAL A 1 34 ? -0.086 11.786 -1.990 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 8 +ATOM 11730 O O . VAL A 1 34 ? 0.935 12.420 -2.261 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 8 +ATOM 11731 C CB . VAL A 1 34 ? -1.713 11.544 -3.984 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 8 +ATOM 11732 C CG1 . VAL A 1 34 ? -2.858 12.192 -3.235 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 8 +ATOM 11733 C CG2 . VAL A 1 34 ? -1.014 12.550 -4.885 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 8 +ATOM 11734 H H . VAL A 1 34 ? -2.221 9.472 -2.407 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 8 +ATOM 11735 H HA . VAL A 1 34 ? 0.132 10.462 -3.625 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 8 +ATOM 11736 H HB . VAL A 1 34 ? -2.147 10.784 -4.617 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 8 +ATOM 11737 H HG11 . VAL A 1 34 ? -2.476 12.982 -2.606 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 8 +ATOM 11738 H HG12 . VAL A 1 34 ? -3.313 11.444 -2.605 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 8 +ATOM 11739 H HG13 . VAL A 1 34 ? -3.584 12.588 -3.929 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 8 +ATOM 11740 H HG21 . VAL A 1 34 ? -0.512 13.291 -4.280 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 8 +ATOM 11741 H HG22 . VAL A 1 34 ? -1.758 13.034 -5.502 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 8 +ATOM 11742 H HG23 . VAL A 1 34 ? -0.298 12.041 -5.512 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 8 +ATOM 11743 N N . GLU A 1 35 ? -0.698 11.898 -0.804 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 8 +ATOM 11744 C CA . GLU A 1 35 ? -0.137 12.743 0.251 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 8 +ATOM 11745 C C . GLU A 1 35 ? 1.172 12.145 0.794 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 8 +ATOM 11746 O O . GLU A 1 35 ? 2.192 12.842 0.918 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 8 +ATOM 11747 C CB . GLU A 1 35 ? -1.149 13.012 1.403 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 8 +ATOM 11748 C CG . GLU A 1 35 ? -1.647 11.761 2.107 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 8 +ATOM 11749 C CD . GLU A 1 35 ? -2.504 12.026 3.320 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 8 +ATOM 11750 O OE1 . GLU A 1 35 ? -3.747 12.125 3.204 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 8 +ATOM 11751 O OE2 . GLU A 1 35 ? -1.960 12.102 4.433 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 8 +ATOM 11752 H H . GLU A 1 35 ? -1.543 11.421 -0.642 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 8 +ATOM 11753 H HA . GLU A 1 35 ? 0.110 13.682 -0.224 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 8 +ATOM 11754 H HB2 . GLU A 1 35 ? -0.685 13.646 2.142 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 8 +ATOM 11755 H HB3 . GLU A 1 35 ? -2.005 13.527 0.992 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 8 +ATOM 11756 H HG2 . GLU A 1 35 ? -2.227 11.198 1.392 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 8 +ATOM 11757 H HG3 . GLU A 1 35 ? -0.789 11.174 2.399 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 8 +ATOM 11758 N N . VAL A 1 36 ? 1.155 10.836 1.039 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 8 +ATOM 11759 C CA . VAL A 1 36 ? 2.267 10.140 1.655 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 8 +ATOM 11760 C C . VAL A 1 36 ? 3.525 10.205 0.785 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 8 +ATOM 11761 O O . VAL A 1 36 ? 4.617 10.247 1.299 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 8 +ATOM 11762 C CB . VAL A 1 36 ? 1.923 8.672 2.074 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 8 +ATOM 11763 C CG1 . VAL A 1 36 ? 1.944 7.689 0.912 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 8 +ATOM 11764 C CG2 . VAL A 1 36 ? 2.799 8.212 3.222 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 8 +ATOM 11765 H H . VAL A 1 36 ? 0.355 10.317 0.806 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 8 +ATOM 11766 H HA . VAL A 1 36 ? 2.492 10.704 2.549 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 8 +ATOM 11767 H HB . VAL A 1 36 ? 0.903 8.692 2.431 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 8 +ATOM 11768 H HG11 . VAL A 1 36 ? 2.936 7.659 0.486 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 8 +ATOM 11769 H HG12 . VAL A 1 36 ? 1.246 8.018 0.157 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 8 +ATOM 11770 H HG13 . VAL A 1 36 ? 1.668 6.704 1.260 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 8 +ATOM 11771 H HG21 . VAL A 1 36 ? 2.587 7.179 3.458 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 8 +ATOM 11772 H HG22 . VAL A 1 36 ? 2.601 8.826 4.089 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 8 +ATOM 11773 H HG23 . VAL A 1 36 ? 3.834 8.320 2.941 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 8 +ATOM 11774 N N . LEU A 1 37 ? 3.338 10.264 -0.535 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 8 +ATOM 11775 C CA . LEU A 1 37 ? 4.435 10.283 -1.513 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 8 +ATOM 11776 C C . LEU A 1 37 ? 5.472 11.370 -1.282 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 8 +ATOM 11777 O O . LEU A 1 37 ? 6.595 11.202 -1.725 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 8 +ATOM 11778 C CB . LEU A 1 37 ? 3.930 10.376 -2.954 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 8 +ATOM 11779 C CG . LEU A 1 37 ? 3.221 9.155 -3.522 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 8 +ATOM 11780 C CD1 . LEU A 1 37 ? 2.774 9.439 -4.946 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 8 +ATOM 11781 C CD2 . LEU A 1 37 ? 4.138 7.935 -3.482 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 8 +ATOM 11782 H H . LEU A 1 37 ? 2.414 10.268 -0.864 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 8 +ATOM 11783 H HA . LEU A 1 37 ? 4.962 9.344 -1.418 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 8 +ATOM 11784 H HB2 . LEU A 1 37 ? 3.245 11.210 -3.008 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 8 +ATOM 11785 H HB3 . LEU A 1 37 ? 4.776 10.598 -3.587 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 8 +ATOM 11786 H HG . LEU A 1 37 ? 2.342 8.945 -2.930 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 8 +ATOM 11787 H HD11 . LEU A 1 37 ? 3.640 9.664 -5.552 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 8 +ATOM 11788 H HD12 . LEU A 1 37 ? 2.111 10.291 -4.947 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 8 +ATOM 11789 H HD13 . LEU A 1 37 ? 2.260 8.580 -5.350 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 8 +ATOM 11790 H HD21 . LEU A 1 37 ? 3.634 7.091 -3.925 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 8 +ATOM 11791 H HD22 . LEU A 1 37 ? 4.384 7.698 -2.458 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 8 +ATOM 11792 H HD23 . LEU A 1 37 ? 5.041 8.146 -4.035 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 8 +ATOM 11793 N N . GLU A 1 38 ? 5.114 12.483 -0.629 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 8 +ATOM 11794 C CA . GLU A 1 38 ? 6.118 13.530 -0.372 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 8 +ATOM 11795 C C . GLU A 1 38 ? 7.230 13.018 0.569 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 8 +ATOM 11796 O O . GLU A 1 38 ? 8.367 13.485 0.518 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 8 +ATOM 11797 C CB . GLU A 1 38 ? 5.500 14.804 0.198 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 8 +ATOM 11798 C CG . GLU A 1 38 ? 4.734 14.593 1.483 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 8 +ATOM 11799 C CD . GLU A 1 38 ? 4.384 15.877 2.155 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 8 +ATOM 11800 O OE1 . GLU A 1 38 ? 3.397 16.528 1.768 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 8 +ATOM 11801 O OE2 . GLU A 1 38 ? 5.093 16.250 3.109 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 8 +ATOM 11802 H H . GLU A 1 38 ? 4.187 12.600 -0.320 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 8 +ATOM 11803 H HA . GLU A 1 38 ? 6.579 13.754 -1.324 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 8 +ATOM 11804 H HB2 . GLU A 1 38 ? 6.292 15.510 0.394 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 8 +ATOM 11805 H HB3 . GLU A 1 38 ? 4.830 15.229 -0.534 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 8 +ATOM 11806 H HG2 . GLU A 1 38 ? 3.822 14.059 1.260 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 8 +ATOM 11807 H HG3 . GLU A 1 38 ? 5.341 14.001 2.153 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 8 +ATOM 11808 N N . SER A 1 39 ? 6.876 12.078 1.426 1.00 0.00 ? ? ? ? ? ? 36 SER A N 8 +ATOM 11809 C CA . SER A 1 39 ? 7.793 11.433 2.352 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 8 +ATOM 11810 C C . SER A 1 39 ? 7.176 10.112 2.803 1.00 0.00 ? ? ? ? ? ? 36 SER A C 8 +ATOM 11811 O O . SER A 1 39 ? 6.583 10.044 3.851 1.00 0.00 ? ? ? ? ? ? 36 SER A O 8 +ATOM 11812 C CB . SER A 1 39 ? 8.130 12.341 3.572 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 8 +ATOM 11813 O OG . SER A 1 39 ? 8.738 13.584 3.181 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 8 +ATOM 11814 H H . SER A 1 39 ? 5.946 11.760 1.426 1.00 0.00 ? ? ? ? ? ? 36 SER A H 8 +ATOM 11815 H HA . SER A 1 39 ? 8.695 11.165 1.832 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 8 +ATOM 11816 H HB2 . SER A 1 39 ? 7.212 12.568 4.090 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 8 +ATOM 11817 H HB3 . SER A 1 39 ? 8.799 11.815 4.236 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 8 +ATOM 11818 H HG . SER A 1 39 ? 8.983 13.472 2.250 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 8 +ATOM 11819 N N . PRO A 1 40 ? 7.230 9.056 1.944 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 8 +ATOM 11820 C CA . PRO A 1 40 ? 6.600 7.763 2.237 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 8 +ATOM 11821 C C . PRO A 1 40 ? 7.472 6.838 3.064 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 8 +ATOM 11822 O O . PRO A 1 40 ? 7.057 5.745 3.436 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 8 +ATOM 11823 C CB . PRO A 1 40 ? 6.351 7.180 0.851 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 8 +ATOM 11824 C CG . PRO A 1 40 ? 7.457 7.721 0.014 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 8 +ATOM 11825 C CD . PRO A 1 40 ? 7.827 9.072 0.592 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 8 +ATOM 11826 H HA . PRO A 1 40 ? 5.661 7.888 2.747 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 8 +ATOM 11827 H HB2 . PRO A 1 40 ? 6.376 6.101 0.902 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 8 +ATOM 11828 H HB3 . PRO A 1 40 ? 5.388 7.507 0.487 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 8 +ATOM 11829 H HG2 . PRO A 1 40 ? 8.307 7.054 0.053 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 8 +ATOM 11830 H HG3 . PRO A 1 40 ? 7.123 7.831 -1.007 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 8 +ATOM 11831 H HD2 . PRO A 1 40 ? 8.899 9.198 0.641 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 8 +ATOM 11832 H HD3 . PRO A 1 40 ? 7.377 9.859 0.004 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 8 +ATOM 11833 N N . ARG A 1 41 ? 8.654 7.289 3.380 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 8 +ATOM 11834 C CA . ARG A 1 41 ? 9.598 6.519 4.174 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 8 +ATOM 11835 C C . ARG A 1 41 ? 9.313 6.685 5.681 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 8 +ATOM 11836 O O . ARG A 1 41 ? 10.210 6.657 6.507 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 8 +ATOM 11837 C CB . ARG A 1 41 ? 11.060 6.891 3.771 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 8 +ATOM 11838 C CG . ARG A 1 41 ? 11.426 8.393 3.786 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 8 +ATOM 11839 C CD . ARG A 1 41 ? 11.654 8.944 5.183 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 8 +ATOM 11840 N NE . ARG A 1 41 ? 12.821 8.308 5.824 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 8 +ATOM 11841 C CZ . ARG A 1 41 ? 13.019 8.159 7.153 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 8 +ATOM 11842 N NH1 . ARG A 1 41 ? 12.075 8.518 8.040 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 8 +ATOM 11843 N NH2 . ARG A 1 41 ? 14.153 7.621 7.582 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 8 +ATOM 11844 H H . ARG A 1 41 ? 8.886 8.185 3.061 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 8 +ATOM 11845 H HA . ARG A 1 41 ? 9.424 5.481 3.929 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 8 +ATOM 11846 H HB2 . ARG A 1 41 ? 11.735 6.390 4.447 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 8 +ATOM 11847 H HB3 . ARG A 1 41 ? 11.237 6.512 2.775 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 8 +ATOM 11848 H HG2 . ARG A 1 41 ? 12.342 8.517 3.229 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 8 +ATOM 11849 H HG3 . ARG A 1 41 ? 10.638 8.951 3.302 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 8 +ATOM 11850 H HD2 . ARG A 1 41 ? 11.806 10.012 5.114 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 8 +ATOM 11851 H HD3 . ARG A 1 41 ? 10.771 8.738 5.770 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 8 +ATOM 11852 H HE . ARG A 1 41 ? 13.508 7.992 5.193 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 8 +ATOM 11853 H HH11 . ARG A 1 41 ? 11.199 8.908 7.740 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 8 +ATOM 11854 H HH12 . ARG A 1 41 ? 12.190 8.400 9.037 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 8 +ATOM 11855 H HH21 . ARG A 1 41 ? 14.866 7.317 6.944 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 8 +ATOM 11856 H HH22 . ARG A 1 41 ? 14.371 7.496 8.553 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 8 +ATOM 11857 N N . ILE A 1 42 ? 8.047 6.679 6.024 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 8 +ATOM 11858 C CA . ILE A 1 42 ? 7.614 6.955 7.372 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 8 +ATOM 11859 C C . ILE A 1 42 ? 7.754 5.716 8.235 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 8 +ATOM 11860 O O . ILE A 1 42 ? 6.938 4.794 8.202 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 8 +ATOM 11861 C CB . ILE A 1 42 ? 6.154 7.489 7.394 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 8 +ATOM 11862 C CG1 . ILE A 1 42 ? 6.094 8.750 6.535 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 8 +ATOM 11863 C CG2 . ILE A 1 42 ? 5.698 7.787 8.827 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 8 +ATOM 11864 C CD1 . ILE A 1 42 ? 4.721 9.338 6.327 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 8 +ATOM 11865 H H . ILE A 1 42 ? 7.389 6.456 5.330 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 8 +ATOM 11866 H HA . ILE A 1 42 ? 8.265 7.720 7.766 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 8 +ATOM 11867 H HB . ILE A 1 42 ? 5.500 6.745 6.965 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 8 +ATOM 11868 H HG12 . ILE A 1 42 ? 6.700 9.515 6.996 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 8 +ATOM 11869 H HG13 . ILE A 1 42 ? 6.510 8.523 5.565 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 8 +ATOM 11870 H HG21 . ILE A 1 42 ? 5.760 6.885 9.419 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 8 +ATOM 11871 H HG22 . ILE A 1 42 ? 4.676 8.138 8.814 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 8 +ATOM 11872 H HG23 . ILE A 1 42 ? 6.331 8.546 9.258 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 8 +ATOM 11873 H HD11 . ILE A 1 42 ? 4.072 8.591 5.894 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 8 +ATOM 11874 H HD12 . ILE A 1 42 ? 4.841 10.148 5.620 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 8 +ATOM 11875 H HD13 . ILE A 1 42 ? 4.320 9.705 7.260 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 8 +ATOM 11876 N N . GLU A 1 43 ? 8.824 5.739 8.993 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 8 +ATOM 11877 C CA . GLU A 1 43 ? 9.275 4.687 9.896 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 8 +ATOM 11878 C C . GLU A 1 43 ? 8.203 4.289 10.914 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 8 +ATOM 11879 O O . GLU A 1 43 ? 8.150 3.141 11.363 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 8 +ATOM 11880 C CB . GLU A 1 43 ? 10.545 5.191 10.584 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 8 +ATOM 11881 C CG . GLU A 1 43 ? 10.360 6.550 11.257 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 8 +ATOM 11882 C CD . GLU A 1 43 ? 11.648 7.197 11.662 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 8 +ATOM 11883 O OE1 . GLU A 1 43 ? 12.133 6.946 12.787 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 8 +ATOM 11884 O OE2 . GLU A 1 43 ? 12.197 7.992 10.861 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 8 +ATOM 11885 H H . GLU A 1 43 ? 9.384 6.541 8.925 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 8 +ATOM 11886 H HA . GLU A 1 43 ? 9.538 3.823 9.304 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 8 +ATOM 11887 H HB2 . GLU A 1 43 ? 10.845 4.472 11.332 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 8 +ATOM 11888 H HB3 . GLU A 1 43 ? 11.331 5.283 9.849 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 8 +ATOM 11889 H HG2 . GLU A 1 43 ? 9.858 7.210 10.566 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 8 +ATOM 11890 H HG3 . GLU A 1 43 ? 9.741 6.420 12.132 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 8 +ATOM 11891 N N . ALA A 1 44 ? 7.330 5.222 11.231 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 8 +ATOM 11892 C CA . ALA A 1 44 ? 6.239 4.992 12.168 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 8 +ATOM 11893 C C . ALA A 1 44 ? 5.165 4.088 11.552 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 8 +ATOM 11894 O O . ALA A 1 44 ? 4.359 3.478 12.263 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 8 +ATOM 11895 C CB . ALA A 1 44 ? 5.634 6.316 12.595 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 8 +ATOM 11896 H H . ALA A 1 44 ? 7.443 6.104 10.820 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 8 +ATOM 11897 H HA . ALA A 1 44 ? 6.647 4.504 13.040 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 8 +ATOM 11898 H HB1 . ALA A 1 44 ? 5.225 6.820 11.731 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 8 +ATOM 11899 H HB2 . ALA A 1 44 ? 6.396 6.933 13.047 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 8 +ATOM 11900 H HB3 . ALA A 1 44 ? 4.845 6.131 13.309 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 8 +ATOM 11901 N N . ASN A 1 45 ? 5.168 3.994 10.232 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 8 +ATOM 11902 C CA . ASN A 1 45 ? 4.198 3.172 9.516 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 8 +ATOM 11903 C C . ASN A 1 45 ? 4.866 1.970 8.893 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 8 +ATOM 11904 O O . ASN A 1 45 ? 4.205 1.169 8.233 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 8 +ATOM 11905 C CB . ASN A 1 45 ? 3.450 3.976 8.421 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 8 +ATOM 11906 C CG . ASN A 1 45 ? 2.531 5.058 8.968 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 8 +ATOM 11907 O OD1 . ASN A 1 45 ? 2.006 4.946 10.075 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 8 +ATOM 11908 N ND2 . ASN A 1 45 ? 2.316 6.107 8.200 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 8 +ATOM 11909 H H . ASN A 1 45 ? 5.850 4.470 9.708 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 8 +ATOM 11910 H HA . ASN A 1 45 ? 3.474 2.818 10.235 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 8 +ATOM 11911 H HB2 . ASN A 1 45 ? 4.176 4.452 7.781 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 8 +ATOM 11912 H HB3 . ASN A 1 45 ? 2.860 3.291 7.830 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 8 +ATOM 11913 H HD21 . ASN A 1 45 ? 2.748 6.142 7.321 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 8 +ATOM 11914 H HD22 . ASN A 1 45 ? 1.718 6.814 8.529 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 8 +ATOM 11915 N N . LYS A 1 46 ? 6.168 1.829 9.105 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 8 +ATOM 11916 C CA . LYS A 1 46 ? 6.906 0.777 8.539 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 8 +ATOM 11917 C C . LYS A 1 46 ? 6.713 -0.491 9.345 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 8 +ATOM 11918 O O . LYS A 1 46 ? 6.748 -0.473 10.586 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 8 +ATOM 11919 C CB . LYS A 1 46 ? 8.372 1.164 8.474 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 8 +ATOM 11920 C CG . LYS A 1 46 ? 9.155 0.243 7.616 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 8 +ATOM 11921 C CD . LYS A 1 46 ? 10.582 0.724 7.372 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 8 +ATOM 11922 C CE . LYS A 1 46 ? 11.242 -0.110 6.274 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 8 +ATOM 11923 N NZ . LYS A 1 46 ? 12.572 0.402 5.869 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 8 +ATOM 11924 H H . LYS A 1 46 ? 6.702 2.426 9.659 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 8 +ATOM 11925 H HA . LYS A 1 46 ? 6.552 0.618 7.532 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 8 +ATOM 11926 H HB2 . LYS A 1 46 ? 8.458 2.164 8.078 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 8 +ATOM 11927 H HB3 . LYS A 1 46 ? 8.777 1.126 9.474 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 8 +ATOM 11928 H HG2 . LYS A 1 46 ? 9.136 -0.708 8.122 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 8 +ATOM 11929 H HG3 . LYS A 1 46 ? 8.594 0.201 6.695 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 8 +ATOM 11930 H HD2 . LYS A 1 46 ? 10.548 1.759 7.066 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 8 +ATOM 11931 H HD3 . LYS A 1 46 ? 11.151 0.631 8.285 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 8 +ATOM 11932 H HE2 . LYS A 1 46 ? 11.349 -1.127 6.623 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 8 +ATOM 11933 H HE3 . LYS A 1 46 ? 10.585 -0.093 5.418 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 8 +ATOM 11934 H HZ1 . LYS A 1 46 ? 12.915 -0.108 5.024 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 8 +ATOM 11935 H HZ2 . LYS A 1 46 ? 13.281 0.270 6.622 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 8 +ATOM 11936 H HZ3 . LYS A 1 46 ? 12.544 1.417 5.641 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 8 +ATOM 11937 N N . LEU A 1 47 ? 6.509 -1.559 8.645 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 8 +ATOM 11938 C CA . LEU A 1 47 ? 6.281 -2.848 9.229 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 8 +ATOM 11939 C C . LEU A 1 47 ? 7.596 -3.481 9.581 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 8 +ATOM 11940 O O . LEU A 1 47 ? 8.467 -3.664 8.720 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 8 +ATOM 11941 C CB . LEU A 1 47 ? 5.531 -3.757 8.264 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 8 +ATOM 11942 C CG . LEU A 1 47 ? 4.164 -3.288 7.794 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 8 +ATOM 11943 C CD1 . LEU A 1 47 ? 3.534 -4.330 6.899 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 8 +ATOM 11944 C CD2 . LEU A 1 47 ? 3.268 -2.998 8.966 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 8 +ATOM 11945 H H . LEU A 1 47 ? 6.546 -1.472 7.665 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 8 +ATOM 11946 H HA . LEU A 1 47 ? 5.689 -2.723 10.124 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 8 +ATOM 11947 H HB2 . LEU A 1 47 ? 6.148 -3.866 7.385 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 8 +ATOM 11948 H HB3 . LEU A 1 47 ? 5.416 -4.725 8.729 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 8 +ATOM 11949 H HG . LEU A 1 47 ? 4.282 -2.381 7.220 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 8 +ATOM 11950 H HD11 . LEU A 1 47 ? 3.441 -5.259 7.442 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 8 +ATOM 11951 H HD12 . LEU A 1 47 ? 4.154 -4.481 6.028 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 8 +ATOM 11952 H HD13 . LEU A 1 47 ? 2.555 -3.995 6.591 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 8 +ATOM 11953 H HD21 . LEU A 1 47 ? 2.295 -2.731 8.582 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 8 +ATOM 11954 H HD22 . LEU A 1 47 ? 3.673 -2.170 9.531 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 8 +ATOM 11955 H HD23 . LEU A 1 47 ? 3.189 -3.872 9.593 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 8 +ATOM 11956 N N . ARG A 1 48 ? 7.741 -3.815 10.817 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 8 +ATOM 11957 C CA . ARG A 1 48 ? 8.937 -4.398 11.301 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 8 +ATOM 11958 C C . ARG A 1 48 ? 8.845 -5.902 11.162 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 8 +ATOM 11959 O O . ARG A 1 48 ? 7.923 -6.538 11.690 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 8 +ATOM 11960 C CB . ARG A 1 48 ? 9.174 -3.955 12.736 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 8 +ATOM 11961 C CG . ARG A 1 48 ? 9.326 -2.443 12.857 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 8 +ATOM 11962 C CD . ARG A 1 48 ? 9.581 -1.996 14.280 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 8 +ATOM 11963 N NE . ARG A 1 48 ? 9.724 -0.529 14.369 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 8 +ATOM 11964 C CZ . ARG A 1 48 ? 10.823 0.122 14.811 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 8 +ATOM 11965 N NH1 . ARG A 1 48 ? 11.961 -0.539 15.039 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 8 +ATOM 11966 N NH2 . ARG A 1 48 ? 10.797 1.441 14.966 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 8 +ATOM 11967 H H . ARG A 1 48 ? 7.001 -3.688 11.448 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 8 +ATOM 11968 H HA . ARG A 1 48 ? 9.748 -4.043 10.682 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 8 +ATOM 11969 H HB2 . ARG A 1 48 ? 8.336 -4.271 13.342 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 8 +ATOM 11970 H HB3 . ARG A 1 48 ? 10.074 -4.425 13.098 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 8 +ATOM 11971 H HG2 . ARG A 1 48 ? 10.159 -2.128 12.246 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 8 +ATOM 11972 H HG3 . ARG A 1 48 ? 8.423 -1.972 12.496 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 8 +ATOM 11973 H HD2 . ARG A 1 48 ? 8.739 -2.300 14.883 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 8 +ATOM 11974 H HD3 . ARG A 1 48 ? 10.478 -2.464 14.657 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 8 +ATOM 11975 H HE . ARG A 1 48 ? 8.914 -0.030 14.110 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 8 +ATOM 11976 H HH11 . ARG A 1 48 ? 12.045 -1.530 14.887 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 8 +ATOM 11977 H HH12 . ARG A 1 48 ? 12.779 -0.070 15.379 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 8 +ATOM 11978 H HH21 . ARG A 1 48 ? 9.986 1.996 14.770 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 8 +ATOM 11979 H HH22 . ARG A 1 48 ? 11.606 1.941 15.291 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 8 +ATOM 11980 N N . GLY A 1 49 ? 9.758 -6.453 10.409 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 8 +ATOM 11981 C CA . GLY A 1 49 ? 9.737 -7.860 10.121 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 8 +ATOM 11982 C C . GLY A 1 49 ? 9.243 -8.099 8.716 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 8 +ATOM 11983 O O . GLY A 1 49 ? 9.015 -9.232 8.305 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 8 +ATOM 11984 H H . GLY A 1 49 ? 10.478 -5.898 10.037 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 8 +ATOM 11985 H HA2 . GLY A 1 49 ? 10.737 -8.256 10.224 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 8 +ATOM 11986 H HA3 . GLY A 1 49 ? 9.077 -8.359 10.814 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 8 +ATOM 11987 N N . MET A 1 50 ? 9.064 -7.018 7.985 1.00 0.00 ? ? ? ? ? ? 47 MET A N 8 +ATOM 11988 C CA . MET A 1 50 ? 8.602 -7.062 6.612 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 8 +ATOM 11989 C C . MET A 1 50 ? 9.568 -6.281 5.740 1.00 0.00 ? ? ? ? ? ? 47 MET A C 8 +ATOM 11990 O O . MET A 1 50 ? 10.033 -5.212 6.156 1.00 0.00 ? ? ? ? ? ? 47 MET A O 8 +ATOM 11991 C CB . MET A 1 50 ? 7.200 -6.460 6.491 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 8 +ATOM 11992 C CG . MET A 1 50 ? 6.092 -7.272 7.147 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 8 +ATOM 11993 S SD . MET A 1 50 ? 5.800 -8.862 6.333 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 8 +ATOM 11994 C CE . MET A 1 50 ? 5.195 -8.317 4.731 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 8 +ATOM 11995 H H . MET A 1 50 ? 9.274 -6.144 8.376 1.00 0.00 ? ? ? ? ? ? 47 MET A H 8 +ATOM 11996 H HA . MET A 1 50 ? 8.573 -8.100 6.317 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 8 +ATOM 11997 H HB2 . MET A 1 50 ? 7.223 -5.487 6.956 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 8 +ATOM 11998 H HB3 . MET A 1 50 ? 6.965 -6.336 5.444 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 8 +ATOM 11999 H HG2 . MET A 1 50 ? 6.351 -7.441 8.183 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 8 +ATOM 12000 H HG3 . MET A 1 50 ? 5.185 -6.689 7.099 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 8 +ATOM 12001 H HE1 . MET A 1 50 ? 5.957 -7.740 4.227 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 8 +ATOM 12002 H HE2 . MET A 1 50 ? 4.320 -7.701 4.871 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 8 +ATOM 12003 H HE3 . MET A 1 50 ? 4.937 -9.177 4.131 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 8 +ATOM 12004 N N . PRO A 1 51 ? 9.899 -6.785 4.539 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 8 +ATOM 12005 C CA . PRO A 1 51 ? 10.840 -6.119 3.636 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 8 +ATOM 12006 C C . PRO A 1 51 ? 10.304 -4.791 3.086 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 8 +ATOM 12007 O O . PRO A 1 51 ? 9.507 -4.775 2.135 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 8 +ATOM 12008 C CB . PRO A 1 51 ? 11.053 -7.125 2.491 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 8 +ATOM 12009 C CG . PRO A 1 51 ? 10.460 -8.408 2.971 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 8 +ATOM 12010 C CD . PRO A 1 51 ? 9.398 -8.042 3.963 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 8 +ATOM 12011 H HA . PRO A 1 51 ? 11.781 -5.933 4.134 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 8 +ATOM 12012 H HB2 . PRO A 1 51 ? 10.542 -6.768 1.611 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 8 +ATOM 12013 H HB3 . PRO A 1 51 ? 12.108 -7.230 2.284 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 8 +ATOM 12014 H HG2 . PRO A 1 51 ? 10.029 -8.950 2.142 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 8 +ATOM 12015 H HG3 . PRO A 1 51 ? 11.222 -9.007 3.448 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 8 +ATOM 12016 H HD2 . PRO A 1 51 ? 8.442 -7.896 3.481 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 8 +ATOM 12017 H HD3 . PRO A 1 51 ? 9.337 -8.815 4.712 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 8 +ATOM 12018 N N . ASP A 1 52 ? 10.681 -3.706 3.760 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 8 +ATOM 12019 C CA . ASP A 1 52 ? 10.352 -2.317 3.383 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 8 +ATOM 12020 C C . ASP A 1 52 ? 8.879 -2.086 3.158 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 8 +ATOM 12021 O O . ASP A 1 52 ? 8.488 -1.307 2.292 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 8 +ATOM 12022 C CB . ASP A 1 52 ? 11.178 -1.824 2.183 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 8 +ATOM 12023 C CG . ASP A 1 52 ? 12.609 -1.518 2.545 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 8 +ATOM 12024 O OD1 . ASP A 1 52 ? 12.864 -0.476 3.208 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 8 +ATOM 12025 O OD2 . ASP A 1 52 ? 13.511 -2.310 2.200 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 8 +ATOM 12026 H H . ASP A 1 52 ? 11.210 -3.859 4.574 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 8 +ATOM 12027 H HA . ASP A 1 52 ? 10.629 -1.718 4.237 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 8 +ATOM 12028 H HB2 . ASP A 1 52 ? 11.181 -2.592 1.423 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 8 +ATOM 12029 H HB3 . ASP A 1 52 ? 10.723 -0.930 1.782 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 8 +ATOM 12030 N N . CYS A 1 53 ? 8.067 -2.696 3.977 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 8 +ATOM 12031 C CA . CYS A 1 53 ? 6.642 -2.559 3.846 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 8 +ATOM 12032 C C . CYS A 1 53 ? 6.136 -1.540 4.859 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 8 +ATOM 12033 O O . CYS A 1 53 ? 6.656 -1.450 5.965 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 8 +ATOM 12034 C CB . CYS A 1 53 ? 5.973 -3.911 4.058 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 8 +ATOM 12035 S SG . CYS A 1 53 ? 6.601 -5.220 2.976 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 8 +ATOM 12036 H H . CYS A 1 53 ? 8.436 -3.245 4.698 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 8 +ATOM 12037 H HA . CYS A 1 53 ? 6.424 -2.207 2.850 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 8 +ATOM 12038 H HB2 . CYS A 1 53 ? 6.138 -4.225 5.078 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 8 +ATOM 12039 H HB3 . CYS A 1 53 ? 4.911 -3.813 3.883 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 8 +ATOM 12040 H HG . CYS A 1 53 ? 7.766 -4.806 2.486 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 8 +ATOM 12041 N N . TYR A 1 54 ? 5.175 -0.763 4.456 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 8 +ATOM 12042 C CA . TYR A 1 54 ? 4.584 0.284 5.251 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 8 +ATOM 12043 C C . TYR A 1 54 ? 3.083 0.133 5.137 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 8 +ATOM 12044 O O . TYR A 1 54 ? 2.597 -0.442 4.156 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 8 +ATOM 12045 C CB . TYR A 1 54 ? 4.984 1.676 4.710 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 8 +ATOM 12046 C CG . TYR A 1 54 ? 6.471 2.012 4.716 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 8 +ATOM 12047 C CD1 . TYR A 1 54 ? 7.370 1.343 3.895 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 8 +ATOM 12048 C CD2 . TYR A 1 54 ? 6.968 3.007 5.533 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 8 +ATOM 12049 C CE1 . TYR A 1 54 ? 8.711 1.653 3.891 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 8 +ATOM 12050 C CE2 . TYR A 1 54 ? 8.311 3.326 5.530 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 8 +ATOM 12051 C CZ . TYR A 1 54 ? 9.175 2.645 4.707 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 8 +ATOM 12052 O OH . TYR A 1 54 ? 10.520 2.959 4.710 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 8 +ATOM 12053 H H . TYR A 1 54 ? 4.805 -0.887 3.553 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 8 +ATOM 12054 H HA . TYR A 1 54 ? 4.896 0.184 6.279 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 8 +ATOM 12055 H HB2 . TYR A 1 54 ? 4.650 1.750 3.685 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 8 +ATOM 12056 H HB3 . TYR A 1 54 ? 4.467 2.426 5.290 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 8 +ATOM 12057 H HD1 . TYR A 1 54 ? 7.002 0.558 3.250 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 8 +ATOM 12058 H HD2 . TYR A 1 54 ? 6.291 3.543 6.181 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 8 +ATOM 12059 H HE1 . TYR A 1 54 ? 9.389 1.116 3.244 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 8 +ATOM 12060 H HE2 . TYR A 1 54 ? 8.678 4.109 6.178 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 8 +ATOM 12061 H HH . TYR A 1 54 ? 10.837 2.910 3.797 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 8 +ATOM 12062 N N . LYS A 1 55 ? 2.354 0.626 6.095 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 8 +ATOM 12063 C CA . LYS A 1 55 ? 0.914 0.491 6.070 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 8 +ATOM 12064 C C . LYS A 1 55 ? 0.206 1.794 6.385 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 8 +ATOM 12065 O O . LYS A 1 55 ? 0.645 2.575 7.247 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 8 +ATOM 12066 C CB . LYS A 1 55 ? 0.446 -0.565 7.078 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 8 +ATOM 12067 C CG . LYS A 1 55 ? 0.884 -0.271 8.506 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 8 +ATOM 12068 C CD . LYS A 1 55 ? 0.176 -1.143 9.513 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 8 +ATOM 12069 C CE . LYS A 1 55 ? 0.755 -0.930 10.896 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 8 +ATOM 12070 N NZ . LYS A 1 55 ? 0.019 -1.672 11.927 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 8 +ATOM 12071 H H . LYS A 1 55 ? 2.786 1.096 6.842 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 8 +ATOM 12072 H HA . LYS A 1 55 ? 0.622 0.158 5.085 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 8 +ATOM 12073 H HB2 . LYS A 1 55 ? -0.632 -0.617 7.055 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 8 +ATOM 12074 H HB3 . LYS A 1 55 ? 0.849 -1.524 6.791 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 8 +ATOM 12075 H HG2 . LYS A 1 55 ? 1.948 -0.441 8.588 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 8 +ATOM 12076 H HG3 . LYS A 1 55 ? 0.673 0.766 8.722 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 8 +ATOM 12077 H HD2 . LYS A 1 55 ? -0.873 -0.887 9.527 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 8 +ATOM 12078 H HD3 . LYS A 1 55 ? 0.295 -2.179 9.235 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 8 +ATOM 12079 H HE2 . LYS A 1 55 ? 1.778 -1.275 10.890 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 8 +ATOM 12080 H HE3 . LYS A 1 55 ? 0.739 0.124 11.129 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 8 +ATOM 12081 H HZ1 . LYS A 1 55 ? -0.092 -2.679 11.683 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 8 +ATOM 12082 H HZ2 . LYS A 1 55 ? -0.925 -1.271 12.086 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 8 +ATOM 12083 H HZ3 . LYS A 1 55 ? 0.537 -1.620 12.829 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 8 +ATOM 12084 N N . ILE A 1 56 ? -0.876 2.021 5.701 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 8 +ATOM 12085 C CA . ILE A 1 56 ? -1.770 3.093 6.017 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 8 +ATOM 12086 C C . ILE A 1 56 ? -3.103 2.475 6.303 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 8 +ATOM 12087 O O . ILE A 1 56 ? -3.631 1.703 5.486 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 8 +ATOM 12088 C CB . ILE A 1 56 ? -1.957 4.153 4.886 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 8 +ATOM 12089 C CG1 . ILE A 1 56 ? -0.621 4.845 4.564 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 8 +ATOM 12090 C CG2 . ILE A 1 56 ? -3.030 5.194 5.315 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 8 +ATOM 12091 C CD1 . ILE A 1 56 ? -0.704 5.869 3.446 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 8 +ATOM 12092 H H . ILE A 1 56 ? -1.105 1.421 4.955 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 8 +ATOM 12093 H HA . ILE A 1 56 ? -1.404 3.576 6.910 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 8 +ATOM 12094 H HB . ILE A 1 56 ? -2.324 3.641 4.008 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 8 +ATOM 12095 H HG12 . ILE A 1 56 ? -0.267 5.357 5.447 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 8 +ATOM 12096 H HG13 . ILE A 1 56 ? 0.105 4.097 4.281 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 8 +ATOM 12097 H HG21 . ILE A 1 56 ? -3.212 5.918 4.533 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 8 +ATOM 12098 H HG22 . ILE A 1 56 ? -2.700 5.716 6.201 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 8 +ATOM 12099 H HG23 . ILE A 1 56 ? -3.955 4.688 5.560 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 8 +ATOM 12100 H HD11 . ILE A 1 56 ? -1.059 5.392 2.545 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 8 +ATOM 12101 H HD12 . ILE A 1 56 ? 0.276 6.287 3.265 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 8 +ATOM 12102 H HD13 . ILE A 1 56 ? -1.387 6.656 3.731 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 8 +ATOM 12103 N N . LYS A 1 57 ? -3.617 2.724 7.450 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 8 +ATOM 12104 C CA . LYS A 1 57 ? -4.914 2.271 7.746 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 8 +ATOM 12105 C C . LYS A 1 57 ? -5.884 3.425 7.647 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 8 +ATOM 12106 O O . LYS A 1 57 ? -5.650 4.498 8.196 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 8 +ATOM 12107 C CB . LYS A 1 57 ? -4.968 1.450 9.060 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 8 +ATOM 12108 C CG . LYS A 1 57 ? -4.410 2.094 10.341 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 8 +ATOM 12109 C CD . LYS A 1 57 ? -5.311 3.159 10.930 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 8 +ATOM 12110 C CE . LYS A 1 57 ? -6.726 2.651 11.063 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 8 +ATOM 12111 N NZ . LYS A 1 57 ? -7.539 3.463 11.973 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 8 +ATOM 12112 H H . LYS A 1 57 ? -3.106 3.240 8.112 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 8 +ATOM 12113 H HA . LYS A 1 57 ? -5.162 1.618 6.919 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 8 +ATOM 12114 H HB2 . LYS A 1 57 ? -5.992 1.171 9.256 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 8 +ATOM 12115 H HB3 . LYS A 1 57 ? -4.412 0.541 8.892 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 8 +ATOM 12116 H HG2 . LYS A 1 57 ? -4.271 1.326 11.087 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 8 +ATOM 12117 H HG3 . LYS A 1 57 ? -3.453 2.534 10.112 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 8 +ATOM 12118 H HD2 . LYS A 1 57 ? -4.935 3.437 11.902 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 8 +ATOM 12119 H HD3 . LYS A 1 57 ? -5.298 4.007 10.260 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 8 +ATOM 12120 H HE2 . LYS A 1 57 ? -7.150 2.720 10.071 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 8 +ATOM 12121 H HE3 . LYS A 1 57 ? -6.702 1.620 11.383 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 8 +ATOM 12122 H HZ1 . LYS A 1 57 ? -7.634 4.455 11.689 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 8 +ATOM 12123 H HZ2 . LYS A 1 57 ? -7.130 3.445 12.929 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 8 +ATOM 12124 H HZ3 . LYS A 1 57 ? -8.490 3.054 12.068 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 8 +ATOM 12125 N N . LEU A 1 58 ? -6.932 3.217 6.904 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 8 +ATOM 12126 C CA . LEU A 1 58 ? -7.886 4.248 6.592 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 8 +ATOM 12127 C C . LEU A 1 58 ? -8.779 4.500 7.803 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 8 +ATOM 12128 O O . LEU A 1 58 ? -9.687 3.710 8.098 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 8 +ATOM 12129 C CB . LEU A 1 58 ? -8.689 3.827 5.336 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 8 +ATOM 12130 C CG . LEU A 1 58 ? -9.368 4.936 4.499 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 8 +ATOM 12131 C CD1 . LEU A 1 58 ? -10.547 5.551 5.208 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 8 +ATOM 12132 C CD2 . LEU A 1 58 ? -8.355 6.011 4.143 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 8 +ATOM 12133 H H . LEU A 1 58 ? -7.077 2.307 6.556 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 8 +ATOM 12134 H HA . LEU A 1 58 ? -7.331 5.146 6.369 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 8 +ATOM 12135 H HB2 . LEU A 1 58 ? -8.017 3.290 4.685 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 8 +ATOM 12136 H HB3 . LEU A 1 58 ? -9.454 3.137 5.660 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 8 +ATOM 12137 H HG . LEU A 1 58 ? -9.726 4.508 3.573 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 8 +ATOM 12138 H HD11 . LEU A 1 58 ? -10.214 5.995 6.133 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 8 +ATOM 12139 H HD12 . LEU A 1 58 ? -11.283 4.789 5.420 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 8 +ATOM 12140 H HD13 . LEU A 1 58 ? -10.989 6.315 4.583 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 8 +ATOM 12141 H HD21 . LEU A 1 58 ? -7.504 5.559 3.657 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 8 +ATOM 12142 H HD22 . LEU A 1 58 ? -8.040 6.527 5.037 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 8 +ATOM 12143 H HD23 . LEU A 1 58 ? -8.815 6.715 3.468 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 8 +ATOM 12144 N N . ARG A 1 59 ? -8.492 5.590 8.495 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 8 +ATOM 12145 C CA . ARG A 1 59 ? -9.153 5.977 9.744 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 8 +ATOM 12146 C C . ARG A 1 59 ? -10.678 6.106 9.637 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 8 +ATOM 12147 O O . ARG A 1 59 ? -11.405 5.675 10.527 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 8 +ATOM 12148 C CB . ARG A 1 59 ? -8.531 7.269 10.306 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 8 +ATOM 12149 C CG . ARG A 1 59 ? -8.521 8.447 9.328 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 8 +ATOM 12150 C CD . ARG A 1 59 ? -7.954 9.706 9.960 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 8 +ATOM 12151 N NE . ARG A 1 59 ? -6.609 9.514 10.537 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 8 +ATOM 12152 C CZ . ARG A 1 59 ? -5.884 10.483 11.126 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 8 +ATOM 12153 N NH1 . ARG A 1 59 ? -6.278 11.755 11.063 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 8 +ATOM 12154 N NH2 . ARG A 1 59 ? -4.755 10.174 11.751 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 8 +ATOM 12155 H H . ARG A 1 59 ? -7.779 6.167 8.139 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 8 +ATOM 12156 H HA . ARG A 1 59 ? -8.947 5.187 10.452 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 8 +ATOM 12157 H HB2 . ARG A 1 59 ? -9.084 7.567 11.183 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 8 +ATOM 12158 H HB3 . ARG A 1 59 ? -7.511 7.063 10.593 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 8 +ATOM 12159 H HG2 . ARG A 1 59 ? -7.934 8.191 8.460 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 8 +ATOM 12160 H HG3 . ARG A 1 59 ? -9.539 8.638 9.019 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 8 +ATOM 12161 H HD2 . ARG A 1 59 ? -7.897 10.474 9.202 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 8 +ATOM 12162 H HD3 . ARG A 1 59 ? -8.627 10.024 10.741 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 8 +ATOM 12163 H HE . ARG A 1 59 ? -6.261 8.593 10.515 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 8 +ATOM 12164 H HH11 . ARG A 1 59 ? -7.114 12.021 10.577 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 8 +ATOM 12165 H HH12 . ARG A 1 59 ? -5.760 12.504 11.484 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 8 +ATOM 12166 H HH21 . ARG A 1 59 ? -4.411 9.233 11.801 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 8 +ATOM 12167 H HH22 . ARG A 1 59 ? -4.201 10.874 12.210 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 8 +ATOM 12168 N N . SER A 1 60 ? -11.155 6.642 8.552 1.00 0.00 ? ? ? ? ? ? 57 SER A N 8 +ATOM 12169 C CA . SER A 1 60 ? -12.560 6.889 8.373 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 8 +ATOM 12170 C C . SER A 1 60 ? -13.337 5.690 7.764 1.00 0.00 ? ? ? ? ? ? 57 SER A C 8 +ATOM 12171 O O . SER A 1 60 ? -14.449 5.866 7.260 1.00 0.00 ? ? ? ? ? ? 57 SER A O 8 +ATOM 12172 C CB . SER A 1 60 ? -12.698 8.159 7.541 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 8 +ATOM 12173 O OG . SER A 1 60 ? -11.663 8.209 6.567 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 8 +ATOM 12174 H H . SER A 1 60 ? -10.579 6.932 7.811 1.00 0.00 ? ? ? ? ? ? 57 SER A H 8 +ATOM 12175 H HA . SER A 1 60 ? -12.974 7.095 9.347 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 8 +ATOM 12176 H HB2 . SER A 1 60 ? -13.654 8.158 7.040 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 8 +ATOM 12177 H HB3 . SER A 1 60 ? -12.619 9.026 8.181 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 8 +ATOM 12178 H HG . SER A 1 60 ? -12.057 8.353 5.693 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 8 +ATOM 12179 N N . SER A 1 61 ? -12.786 4.476 7.855 1.00 0.00 ? ? ? ? ? ? 58 SER A N 8 +ATOM 12180 C CA . SER A 1 61 ? -13.494 3.307 7.341 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 8 +ATOM 12181 C C . SER A 1 61 ? -13.028 2.012 8.030 1.00 0.00 ? ? ? ? ? ? 58 SER A C 8 +ATOM 12182 O O . SER A 1 61 ? -13.848 1.196 8.471 1.00 0.00 ? ? ? ? ? ? 58 SER A O 8 +ATOM 12183 C CB . SER A 1 61 ? -13.348 3.199 5.811 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 8 +ATOM 12184 O OG . SER A 1 61 ? -14.167 2.169 5.278 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 8 +ATOM 12185 H H . SER A 1 61 ? -11.914 4.380 8.291 1.00 0.00 ? ? ? ? ? ? 58 SER A H 8 +ATOM 12186 H HA . SER A 1 61 ? -14.540 3.446 7.577 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 8 +ATOM 12187 H HB2 . SER A 1 61 ? -13.626 4.136 5.353 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 8 +ATOM 12188 H HB3 . SER A 1 61 ? -12.319 2.975 5.572 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 8 +ATOM 12189 H HG . SER A 1 61 ? -14.741 2.569 4.613 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 8 +ATOM 12190 N N . GLY A 1 62 ? -11.732 1.839 8.171 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 8 +ATOM 12191 C CA . GLY A 1 62 ? -11.234 0.620 8.762 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 8 +ATOM 12192 C C . GLY A 1 62 ? -10.573 -0.286 7.743 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 8 +ATOM 12193 O O . GLY A 1 62 ? -10.469 -1.499 7.942 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 8 +ATOM 12194 H H . GLY A 1 62 ? -11.099 2.544 7.915 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 8 +ATOM 12195 H HA2 . GLY A 1 62 ? -10.513 0.870 9.525 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 8 +ATOM 12196 H HA3 . GLY A 1 62 ? -12.059 0.090 9.217 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 8 +ATOM 12197 N N . TYR A 1 63 ? -10.135 0.279 6.655 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 8 +ATOM 12198 C CA . TYR A 1 63 ? -9.422 -0.486 5.658 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 8 +ATOM 12199 C C . TYR A 1 63 ? -7.939 -0.345 5.871 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 8 +ATOM 12200 O O . TYR A 1 63 ? -7.483 0.628 6.459 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 8 +ATOM 12201 C CB . TYR A 1 63 ? -9.814 -0.086 4.238 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 8 +ATOM 12202 C CG . TYR A 1 63 ? -11.122 -0.686 3.744 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 8 +ATOM 12203 C CD1 . TYR A 1 63 ? -12.340 -0.361 4.325 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 8 +ATOM 12204 C CD2 . TYR A 1 63 ? -11.129 -1.558 2.660 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 8 +ATOM 12205 C CE1 . TYR A 1 63 ? -13.526 -0.888 3.842 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 8 +ATOM 12206 C CE2 . TYR A 1 63 ? -12.307 -2.091 2.175 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 8 +ATOM 12207 C CZ . TYR A 1 63 ? -13.502 -1.752 2.767 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 8 +ATOM 12208 O OH . TYR A 1 63 ? -14.682 -2.268 2.273 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 8 +ATOM 12209 H H . TYR A 1 63 ? -10.265 1.238 6.515 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 8 +ATOM 12210 H HA . TYR A 1 63 ? -9.683 -1.524 5.816 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 8 +ATOM 12211 H HB2 . TYR A 1 63 ? -9.912 0.988 4.194 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 8 +ATOM 12212 H HB3 . TYR A 1 63 ? -9.030 -0.392 3.562 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 8 +ATOM 12213 H HD1 . TYR A 1 63 ? -12.353 0.314 5.168 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 8 +ATOM 12214 H HD2 . TYR A 1 63 ? -10.191 -1.823 2.195 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 8 +ATOM 12215 H HE1 . TYR A 1 63 ? -14.464 -0.623 4.305 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 8 +ATOM 12216 H HE2 . TYR A 1 63 ? -12.287 -2.768 1.334 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 8 +ATOM 12217 H HH . TYR A 1 63 ? -15.354 -1.577 2.308 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 8 +ATOM 12218 N N . ARG A 1 64 ? -7.209 -1.316 5.440 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 8 +ATOM 12219 C CA . ARG A 1 64 ? -5.781 -1.344 5.582 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 8 +ATOM 12220 C C . ARG A 1 64 ? -5.154 -1.486 4.216 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 8 +ATOM 12221 O O . ARG A 1 64 ? -5.630 -2.273 3.385 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 8 +ATOM 12222 C CB . ARG A 1 64 ? -5.315 -2.516 6.478 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 8 +ATOM 12223 C CG . ARG A 1 64 ? -5.496 -2.354 7.998 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 8 +ATOM 12224 C CD . ARG A 1 64 ? -6.951 -2.317 8.475 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 8 +ATOM 12225 N NE . ARG A 1 64 ? -6.996 -2.237 9.941 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 8 +ATOM 12226 C CZ . ARG A 1 64 ? -8.082 -2.288 10.737 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 8 +ATOM 12227 N NH1 . ARG A 1 64 ? -9.308 -2.269 10.234 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 8 +ATOM 12228 N NH2 . ARG A 1 64 ? -7.924 -2.301 12.047 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 8 +ATOM 12229 H H . ARG A 1 64 ? -7.628 -2.058 4.948 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 8 +ATOM 12230 H HA . ARG A 1 64 ? -5.463 -0.414 6.026 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 8 +ATOM 12231 H HB2 . ARG A 1 64 ? -5.863 -3.399 6.185 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 8 +ATOM 12232 H HB3 . ARG A 1 64 ? -4.268 -2.688 6.279 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 8 +ATOM 12233 H HG2 . ARG A 1 64 ? -5.012 -3.186 8.486 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 8 +ATOM 12234 H HG3 . ARG A 1 64 ? -5.003 -1.443 8.301 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 8 +ATOM 12235 H HD2 . ARG A 1 64 ? -7.443 -1.452 8.052 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 8 +ATOM 12236 H HD3 . ARG A 1 64 ? -7.453 -3.220 8.158 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 8 +ATOM 12237 H HE . ARG A 1 64 ? -6.102 -2.167 10.348 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 8 +ATOM 12238 H HH11 . ARG A 1 64 ? -9.512 -2.208 9.252 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 8 +ATOM 12239 H HH12 . ARG A 1 64 ? -10.123 -2.323 10.822 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 8 +ATOM 12240 H HH21 . ARG A 1 64 ? -7.019 -2.273 12.480 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 8 +ATOM 12241 H HH22 . ARG A 1 64 ? -8.698 -2.359 12.687 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 8 +ATOM 12242 N N . LEU A 1 65 ? -4.138 -0.720 3.972 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 8 +ATOM 12243 C CA . LEU A 1 65 ? -3.411 -0.796 2.742 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 8 +ATOM 12244 C C . LEU A 1 65 ? -1.930 -0.904 3.090 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 8 +ATOM 12245 O O . LEU A 1 65 ? -1.397 -0.072 3.838 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 8 +ATOM 12246 C CB . LEU A 1 65 ? -3.743 0.454 1.871 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 8 +ATOM 12247 C CG . LEU A 1 65 ? -3.187 0.515 0.429 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 8 +ATOM 12248 C CD1 . LEU A 1 65 ? -3.911 1.583 -0.365 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 8 +ATOM 12249 C CD2 . LEU A 1 65 ? -1.710 0.841 0.422 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 8 +ATOM 12250 H H . LEU A 1 65 ? -3.839 -0.054 4.630 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 8 +ATOM 12251 H HA . LEU A 1 65 ? -3.727 -1.691 2.227 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 8 +ATOM 12252 H HB2 . LEU A 1 65 ? -4.819 0.528 1.806 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 8 +ATOM 12253 H HB3 . LEU A 1 65 ? -3.388 1.324 2.403 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 8 +ATOM 12254 H HG . LEU A 1 65 ? -3.334 -0.440 -0.054 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 8 +ATOM 12255 H HD11 . LEU A 1 65 ? -3.496 1.624 -1.362 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 8 +ATOM 12256 H HD12 . LEU A 1 65 ? -3.789 2.542 0.117 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 8 +ATOM 12257 H HD13 . LEU A 1 65 ? -4.961 1.339 -0.425 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 8 +ATOM 12258 H HD21 . LEU A 1 65 ? -1.566 1.793 0.912 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 8 +ATOM 12259 H HD22 . LEU A 1 65 ? -1.362 0.903 -0.596 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 8 +ATOM 12260 H HD23 . LEU A 1 65 ? -1.165 0.074 0.952 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 8 +ATOM 12261 N N . VAL A 1 66 ? -1.287 -1.931 2.581 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 8 +ATOM 12262 C CA . VAL A 1 66 ? 0.112 -2.190 2.849 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 8 +ATOM 12263 C C . VAL A 1 66 ? 0.894 -2.104 1.544 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 8 +ATOM 12264 O O . VAL A 1 66 ? 0.534 -2.744 0.540 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 8 +ATOM 12265 C CB . VAL A 1 66 ? 0.321 -3.597 3.492 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 8 +ATOM 12266 C CG1 . VAL A 1 66 ? 1.787 -3.838 3.827 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 8 +ATOM 12267 C CG2 . VAL A 1 66 ? -0.538 -3.764 4.742 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 8 +ATOM 12268 H H . VAL A 1 66 ? -1.757 -2.545 1.971 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 8 +ATOM 12269 H HA . VAL A 1 66 ? 0.472 -1.432 3.530 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 8 +ATOM 12270 H HB . VAL A 1 66 ? 0.017 -4.338 2.768 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 8 +ATOM 12271 H HG11 . VAL A 1 66 ? 2.384 -3.756 2.930 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 8 +ATOM 12272 H HG12 . VAL A 1 66 ? 1.901 -4.826 4.249 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 8 +ATOM 12273 H HG13 . VAL A 1 66 ? 2.117 -3.107 4.550 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 8 +ATOM 12274 H HG21 . VAL A 1 66 ? -0.376 -4.742 5.167 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 8 +ATOM 12275 H HG22 . VAL A 1 66 ? -1.580 -3.655 4.479 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 8 +ATOM 12276 H HG23 . VAL A 1 66 ? -0.271 -3.008 5.466 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 8 +ATOM 12277 N N . TYR A 1 67 ? 1.939 -1.328 1.546 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 8 +ATOM 12278 C CA . TYR A 1 67 ? 2.740 -1.124 0.370 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 8 +ATOM 12279 C C . TYR A 1 67 ? 4.210 -1.246 0.696 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 8 +ATOM 12280 O O . TYR A 1 67 ? 4.595 -1.112 1.836 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 8 +ATOM 12281 C CB . TYR A 1 67 ? 2.425 0.241 -0.288 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 8 +ATOM 12282 C CG . TYR A 1 67 ? 2.545 1.471 0.612 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 8 +ATOM 12283 C CD1 . TYR A 1 67 ? 3.772 1.937 1.057 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 8 +ATOM 12284 C CD2 . TYR A 1 67 ? 1.419 2.184 0.973 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 8 +ATOM 12285 C CE1 . TYR A 1 67 ? 3.868 3.069 1.833 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 8 +ATOM 12286 C CE2 . TYR A 1 67 ? 1.504 3.314 1.753 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 8 +ATOM 12287 C CZ . TYR A 1 67 ? 2.736 3.752 2.181 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 8 +ATOM 12288 O OH . TYR A 1 67 ? 2.836 4.879 2.955 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 8 +ATOM 12289 H H . TYR A 1 67 ? 2.206 -0.893 2.389 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 8 +ATOM 12290 H HA . TYR A 1 67 ? 2.485 -1.906 -0.329 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 8 +ATOM 12291 H HB2 . TYR A 1 67 ? 3.085 0.397 -1.128 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 8 +ATOM 12292 H HB3 . TYR A 1 67 ? 1.410 0.210 -0.655 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 8 +ATOM 12293 H HD1 . TYR A 1 67 ? 4.666 1.394 0.786 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 8 +ATOM 12294 H HD2 . TYR A 1 67 ? 0.456 1.837 0.635 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 8 +ATOM 12295 H HE1 . TYR A 1 67 ? 4.835 3.413 2.165 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 8 +ATOM 12296 H HE2 . TYR A 1 67 ? 0.603 3.846 2.018 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 8 +ATOM 12297 H HH . TYR A 1 67 ? 3.555 5.418 2.616 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 8 +ATOM 12298 N N . GLN A 1 68 ? 5.010 -1.519 -0.286 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 8 +ATOM 12299 C CA . GLN A 1 68 ? 6.432 -1.584 -0.095 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 8 +ATOM 12300 C C . GLN A 1 68 ? 7.053 -0.338 -0.696 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 8 +ATOM 12301 O O . GLN A 1 68 ? 6.633 0.118 -1.766 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 8 +ATOM 12302 C CB . GLN A 1 68 ? 7.027 -2.847 -0.745 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 8 +ATOM 12303 C CG . GLN A 1 68 ? 6.999 -2.844 -2.267 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 8 +ATOM 12304 C CD . GLN A 1 68 ? 7.537 -4.108 -2.876 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 8 +ATOM 12305 O OE1 . GLN A 1 68 ? 6.795 -5.036 -3.169 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 8 +ATOM 12306 N NE2 . GLN A 1 68 ? 8.824 -4.176 -3.025 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 8 +ATOM 12307 H H . GLN A 1 68 ? 4.641 -1.674 -1.184 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 8 +ATOM 12308 H HA . GLN A 1 68 ? 6.632 -1.595 0.965 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 8 +ATOM 12309 H HB2 . GLN A 1 68 ? 8.055 -2.944 -0.429 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 8 +ATOM 12310 H HB3 . GLN A 1 68 ? 6.475 -3.705 -0.394 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 8 +ATOM 12311 H HG2 . GLN A 1 68 ? 5.973 -2.720 -2.582 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 8 +ATOM 12312 H HG3 . GLN A 1 68 ? 7.584 -2.007 -2.619 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 8 +ATOM 12313 H HE21 . GLN A 1 68 ? 9.368 -3.414 -2.736 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 8 +ATOM 12314 H HE22 . GLN A 1 68 ? 9.218 -4.988 -3.410 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 8 +ATOM 12315 N N . VAL A 1 69 ? 7.997 0.229 -0.022 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 8 +ATOM 12316 C CA . VAL A 1 69 ? 8.672 1.390 -0.538 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 8 +ATOM 12317 C C . VAL A 1 69 ? 10.070 0.999 -0.942 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 8 +ATOM 12318 O O . VAL A 1 69 ? 10.904 0.673 -0.092 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 8 +ATOM 12319 C CB . VAL A 1 69 ? 8.723 2.555 0.503 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 8 +ATOM 12320 C CG1 . VAL A 1 69 ? 9.537 3.733 -0.013 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 8 +ATOM 12321 C CG2 . VAL A 1 69 ? 7.323 3.020 0.866 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 8 +ATOM 12322 H H . VAL A 1 69 ? 8.266 -0.159 0.843 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 8 +ATOM 12323 H HA . VAL A 1 69 ? 8.136 1.723 -1.415 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 8 +ATOM 12324 H HB . VAL A 1 69 ? 9.199 2.186 1.399 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 8 +ATOM 12325 H HG11 . VAL A 1 69 ? 9.107 4.106 -0.930 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 8 +ATOM 12326 H HG12 . VAL A 1 69 ? 10.551 3.412 -0.198 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 8 +ATOM 12327 H HG13 . VAL A 1 69 ? 9.541 4.517 0.730 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 8 +ATOM 12328 H HG21 . VAL A 1 69 ? 7.388 3.828 1.580 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 8 +ATOM 12329 H HG22 . VAL A 1 69 ? 6.779 2.198 1.309 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 8 +ATOM 12330 H HG23 . VAL A 1 69 ? 6.802 3.360 -0.016 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 8 +ATOM 12331 N N . ILE A 1 70 ? 10.327 1.008 -2.220 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 8 +ATOM 12332 C CA . ILE A 1 70 ? 11.631 0.701 -2.707 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 8 +ATOM 12333 C C . ILE A 1 70 ? 12.328 2.012 -2.948 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 8 +ATOM 12334 O O . ILE A 1 70 ? 12.062 2.692 -3.937 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 8 +ATOM 12335 C CB . ILE A 1 70 ? 11.607 -0.106 -4.027 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 8 +ATOM 12336 C CG1 . ILE A 1 70 ? 10.651 -1.299 -3.919 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 8 +ATOM 12337 C CG2 . ILE A 1 70 ? 13.020 -0.602 -4.343 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 8 +ATOM 12338 C CD1 . ILE A 1 70 ? 10.500 -2.078 -5.213 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 8 +ATOM 12339 H H . ILE A 1 70 ? 9.626 1.244 -2.869 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 8 +ATOM 12340 H HA . ILE A 1 70 ? 12.158 0.144 -1.946 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 8 +ATOM 12341 H HB . ILE A 1 70 ? 11.282 0.546 -4.823 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 8 +ATOM 12342 H HG12 . ILE A 1 70 ? 11.015 -1.980 -3.165 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 8 +ATOM 12343 H HG13 . ILE A 1 70 ? 9.675 -0.939 -3.628 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 8 +ATOM 12344 H HG21 . ILE A 1 70 ? 13.012 -1.151 -5.272 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 8 +ATOM 12345 H HG22 . ILE A 1 70 ? 13.357 -1.253 -3.549 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 8 +ATOM 12346 H HG23 . ILE A 1 70 ? 13.692 0.240 -4.425 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 8 +ATOM 12347 H HD11 . ILE A 1 70 ? 10.152 -1.405 -5.984 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 8 +ATOM 12348 H HD12 . ILE A 1 70 ? 9.779 -2.869 -5.074 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 8 +ATOM 12349 H HD13 . ILE A 1 70 ? 11.453 -2.497 -5.502 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 8 +ATOM 12350 N N . ASP A 1 71 ? 13.178 2.371 -2.041 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 8 +ATOM 12351 C CA . ASP A 1 71 ? 13.902 3.629 -2.083 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 8 +ATOM 12352 C C . ASP A 1 71 ? 14.896 3.660 -3.221 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 8 +ATOM 12353 O O . ASP A 1 71 ? 15.056 4.682 -3.884 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 8 +ATOM 12354 C CB . ASP A 1 71 ? 14.593 3.886 -0.744 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 8 +ATOM 12355 C CG . ASP A 1 71 ? 15.462 5.118 -0.753 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 8 +ATOM 12356 O OD1 . ASP A 1 71 ? 14.944 6.234 -0.563 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 8 +ATOM 12357 O OD2 . ASP A 1 71 ? 16.691 4.986 -0.933 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 8 +ATOM 12358 H H . ASP A 1 71 ? 13.347 1.749 -1.300 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 8 +ATOM 12359 H HA . ASP A 1 71 ? 13.195 4.423 -2.262 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 8 +ATOM 12360 H HB2 . ASP A 1 71 ? 13.843 4.009 0.023 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 8 +ATOM 12361 H HB3 . ASP A 1 71 ? 15.208 3.032 -0.501 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 8 +ATOM 12362 N N . GLU A 1 72 ? 15.508 2.525 -3.486 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 8 +ATOM 12363 C CA . GLU A 1 72 ? 16.491 2.403 -4.556 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 8 +ATOM 12364 C C . GLU A 1 72 ? 15.869 2.680 -5.915 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 8 +ATOM 12365 O O . GLU A 1 72 ? 16.458 3.356 -6.757 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 8 +ATOM 12366 C CB . GLU A 1 72 ? 17.076 1.010 -4.564 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 8 +ATOM 12367 C CG . GLU A 1 72 ? 17.873 0.653 -3.338 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 8 +ATOM 12368 C CD . GLU A 1 72 ? 18.317 -0.772 -3.380 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 8 +ATOM 12369 O OE1 . GLU A 1 72 ? 19.181 -1.116 -4.207 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 8 +ATOM 12370 O OE2 . GLU A 1 72 ? 17.786 -1.584 -2.632 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 8 +ATOM 12371 H H . GLU A 1 72 ? 15.301 1.750 -2.918 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 8 +ATOM 12372 H HA . GLU A 1 72 ? 17.286 3.110 -4.373 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 8 +ATOM 12373 H HB2 . GLU A 1 72 ? 16.266 0.301 -4.653 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 8 +ATOM 12374 H HB3 . GLU A 1 72 ? 17.716 0.912 -5.428 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 8 +ATOM 12375 H HG2 . GLU A 1 72 ? 18.743 1.291 -3.286 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 8 +ATOM 12376 H HG3 . GLU A 1 72 ? 17.264 0.804 -2.459 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 8 +ATOM 12377 N N . LYS A 1 73 ? 14.670 2.192 -6.110 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 8 +ATOM 12378 C CA . LYS A 1 73 ? 13.986 2.347 -7.380 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 8 +ATOM 12379 C C . LYS A 1 73 ? 13.063 3.558 -7.346 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 8 +ATOM 12380 O O . LYS A 1 73 ? 12.480 3.929 -8.365 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 8 +ATOM 12381 C CB . LYS A 1 73 ? 13.197 1.078 -7.721 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 8 +ATOM 12382 C CG . LYS A 1 73 ? 14.053 -0.169 -7.893 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 8 +ATOM 12383 C CD . LYS A 1 73 ? 13.190 -1.393 -8.174 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 8 +ATOM 12384 C CE . LYS A 1 73 ? 14.036 -2.646 -8.346 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 8 +ATOM 12385 N NZ . LYS A 1 73 ? 13.213 -3.862 -8.545 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 8 +ATOM 12386 H H . LYS A 1 73 ? 14.230 1.723 -5.373 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 8 +ATOM 12387 H HA . LYS A 1 73 ? 14.734 2.507 -8.141 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 8 +ATOM 12388 H HB2 . LYS A 1 73 ? 12.506 0.884 -6.915 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 8 +ATOM 12389 H HB3 . LYS A 1 73 ? 12.644 1.241 -8.634 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 8 +ATOM 12390 H HG2 . LYS A 1 73 ? 14.732 -0.017 -8.719 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 8 +ATOM 12391 H HG3 . LYS A 1 73 ? 14.617 -0.335 -6.988 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 8 +ATOM 12392 H HD2 . LYS A 1 73 ? 12.508 -1.542 -7.351 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 8 +ATOM 12393 H HD3 . LYS A 1 73 ? 12.629 -1.219 -9.079 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 8 +ATOM 12394 H HE2 . LYS A 1 73 ? 14.665 -2.512 -9.215 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 8 +ATOM 12395 H HE3 . LYS A 1 73 ? 14.663 -2.773 -7.478 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 8 +ATOM 12396 H HZ1 . LYS A 1 73 ? 13.831 -4.687 -8.661 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 8 +ATOM 12397 H HZ2 . LYS A 1 73 ? 12.645 -3.791 -9.412 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 8 +ATOM 12398 H HZ3 . LYS A 1 73 ? 12.570 -4.054 -7.751 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 8 +ATOM 12399 N N . VAL A 1 74 ? 12.950 4.165 -6.157 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 8 +ATOM 12400 C CA . VAL A 1 74 ? 12.118 5.356 -5.915 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 8 +ATOM 12401 C C . VAL A 1 74 ? 10.641 5.046 -6.280 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 8 +ATOM 12402 O O . VAL A 1 74 ? 9.898 5.882 -6.759 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 8 +ATOM 12403 C CB . VAL A 1 74 ? 12.687 6.606 -6.705 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 8 +ATOM 12404 C CG1 . VAL A 1 74 ? 11.960 7.906 -6.356 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 8 +ATOM 12405 C CG2 . VAL A 1 74 ? 14.176 6.770 -6.435 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 8 +ATOM 12406 H H . VAL A 1 74 ? 13.452 3.799 -5.399 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 8 +ATOM 12407 H HA . VAL A 1 74 ? 12.162 5.553 -4.854 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 8 +ATOM 12408 H HB . VAL A 1 74 ? 12.558 6.420 -7.761 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 8 +ATOM 12409 H HG11 . VAL A 1 74 ? 10.925 7.812 -6.649 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 8 +ATOM 12410 H HG12 . VAL A 1 74 ? 12.412 8.732 -6.886 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 8 +ATOM 12411 H HG13 . VAL A 1 74 ? 12.017 8.079 -5.292 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 8 +ATOM 12412 H HG21 . VAL A 1 74 ? 14.698 5.885 -6.769 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 8 +ATOM 12413 H HG22 . VAL A 1 74 ? 14.335 6.906 -5.376 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 8 +ATOM 12414 H HG23 . VAL A 1 74 ? 14.546 7.634 -6.966 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 8 +ATOM 12415 N N . VAL A 1 75 ? 10.213 3.846 -5.980 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 8 +ATOM 12416 C CA . VAL A 1 75 ? 8.869 3.433 -6.319 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 8 +ATOM 12417 C C . VAL A 1 75 ? 8.238 2.649 -5.178 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 8 +ATOM 12418 O O . VAL A 1 75 ? 8.908 1.874 -4.478 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 8 +ATOM 12419 C CB . VAL A 1 75 ? 8.815 2.631 -7.667 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 8 +ATOM 12420 C CG1 . VAL A 1 75 ? 9.647 1.375 -7.606 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 8 +ATOM 12421 C CG2 . VAL A 1 75 ? 7.380 2.312 -8.086 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 8 +ATOM 12422 H H . VAL A 1 75 ? 10.794 3.233 -5.481 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 8 +ATOM 12423 H HA . VAL A 1 75 ? 8.288 4.338 -6.437 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 8 +ATOM 12424 H HB . VAL A 1 75 ? 9.258 3.253 -8.431 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 8 +ATOM 12425 H HG11 . VAL A 1 75 ? 9.279 0.739 -6.816 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 8 +ATOM 12426 H HG12 . VAL A 1 75 ? 10.673 1.645 -7.413 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 8 +ATOM 12427 H HG13 . VAL A 1 75 ? 9.575 0.860 -8.553 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 8 +ATOM 12428 H HG21 . VAL A 1 75 ? 6.909 1.714 -7.320 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 8 +ATOM 12429 H HG22 . VAL A 1 75 ? 7.391 1.760 -9.014 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 8 +ATOM 12430 H HG23 . VAL A 1 75 ? 6.823 3.228 -8.218 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 8 +ATOM 12431 N N . VAL A 1 76 ? 6.992 2.907 -4.967 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 8 +ATOM 12432 C CA . VAL A 1 76 ? 6.202 2.291 -3.956 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 8 +ATOM 12433 C C . VAL A 1 76 ? 5.207 1.342 -4.620 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 8 +ATOM 12434 O O . VAL A 1 76 ? 4.461 1.752 -5.504 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 8 +ATOM 12435 C CB . VAL A 1 76 ? 5.420 3.376 -3.171 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 8 +ATOM 12436 C CG1 . VAL A 1 76 ? 4.582 2.772 -2.076 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 8 +ATOM 12437 C CG2 . VAL A 1 76 ? 6.355 4.438 -2.611 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 8 +ATOM 12438 H H . VAL A 1 76 ? 6.538 3.572 -5.532 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 8 +ATOM 12439 H HA . VAL A 1 76 ? 6.839 1.752 -3.270 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 8 +ATOM 12440 H HB . VAL A 1 76 ? 4.751 3.859 -3.869 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 8 +ATOM 12441 H HG11 . VAL A 1 76 ? 3.868 2.089 -2.511 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 8 +ATOM 12442 H HG12 . VAL A 1 76 ? 4.054 3.553 -1.549 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 8 +ATOM 12443 H HG13 . VAL A 1 76 ? 5.219 2.234 -1.389 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 8 +ATOM 12444 H HG21 . VAL A 1 76 ? 5.793 5.151 -2.026 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 8 +ATOM 12445 H HG22 . VAL A 1 76 ? 6.834 4.952 -3.433 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 8 +ATOM 12446 H HG23 . VAL A 1 76 ? 7.111 3.972 -1.998 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 8 +ATOM 12447 N N . PHE A 1 77 ? 5.211 0.096 -4.214 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 8 +ATOM 12448 C CA . PHE A 1 77 ? 4.286 -0.889 -4.755 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 8 +ATOM 12449 C C . PHE A 1 77 ? 3.326 -1.351 -3.687 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 8 +ATOM 12450 O O . PHE A 1 77 ? 3.745 -1.920 -2.686 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 8 +ATOM 12451 C CB . PHE A 1 77 ? 5.007 -2.118 -5.335 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 8 +ATOM 12452 C CG . PHE A 1 77 ? 5.771 -1.888 -6.599 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 8 +ATOM 12453 C CD1 . PHE A 1 77 ? 5.110 -1.787 -7.807 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 8 +ATOM 12454 C CD2 . PHE A 1 77 ? 7.149 -1.807 -6.589 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 8 +ATOM 12455 C CE1 . PHE A 1 77 ? 5.807 -1.605 -8.981 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 8 +ATOM 12456 C CE2 . PHE A 1 77 ? 7.852 -1.622 -7.760 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 8 +ATOM 12457 C CZ . PHE A 1 77 ? 7.182 -1.522 -8.957 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 8 +ATOM 12458 H H . PHE A 1 77 ? 5.834 -0.155 -3.497 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 8 +ATOM 12459 H HA . PHE A 1 77 ? 3.725 -0.411 -5.546 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 8 +ATOM 12460 H HB2 . PHE A 1 77 ? 5.715 -2.480 -4.605 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 8 +ATOM 12461 H HB3 . PHE A 1 77 ? 4.282 -2.897 -5.521 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 8 +ATOM 12462 H HD1 . PHE A 1 77 ? 4.031 -1.847 -7.826 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 8 +ATOM 12463 H HD2 . PHE A 1 77 ? 7.679 -1.885 -5.650 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 8 +ATOM 12464 H HE1 . PHE A 1 77 ? 5.275 -1.528 -9.917 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 8 +ATOM 12465 H HE2 . PHE A 1 77 ? 8.930 -1.558 -7.742 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 8 +ATOM 12466 H HZ . PHE A 1 77 ? 7.732 -1.381 -9.875 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 8 +ATOM 12467 N N . VAL A 1 78 ? 2.061 -1.089 -3.884 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 8 +ATOM 12468 C CA . VAL A 1 78 ? 1.023 -1.556 -2.970 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 8 +ATOM 12469 C C . VAL A 1 78 ? 0.922 -3.063 -3.095 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 8 +ATOM 12470 O O . VAL A 1 78 ? 0.681 -3.552 -4.178 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 8 +ATOM 12471 C CB . VAL A 1 78 ? -0.350 -0.914 -3.307 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 8 +ATOM 12472 C CG1 . VAL A 1 78 ? -1.451 -1.435 -2.389 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 8 +ATOM 12473 C CG2 . VAL A 1 78 ? -0.261 0.607 -3.239 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 8 +ATOM 12474 H H . VAL A 1 78 ? 1.823 -0.564 -4.681 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 8 +ATOM 12475 H HA . VAL A 1 78 ? 1.308 -1.301 -1.962 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 8 +ATOM 12476 H HB . VAL A 1 78 ? -0.608 -1.192 -4.318 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 8 +ATOM 12477 H HG11 . VAL A 1 78 ? -1.547 -2.503 -2.519 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 8 +ATOM 12478 H HG12 . VAL A 1 78 ? -2.387 -0.955 -2.638 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 8 +ATOM 12479 H HG13 . VAL A 1 78 ? -1.200 -1.222 -1.361 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 8 +ATOM 12480 H HG21 . VAL A 1 78 ? -1.227 1.035 -3.456 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 8 +ATOM 12481 H HG22 . VAL A 1 78 ? 0.454 0.951 -3.971 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 8 +ATOM 12482 H HG23 . VAL A 1 78 ? 0.061 0.913 -2.254 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 8 +ATOM 12483 N N . ILE A 1 79 ? 1.113 -3.784 -2.002 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 8 +ATOM 12484 C CA . ILE A 1 79 ? 1.121 -5.242 -2.055 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 8 +ATOM 12485 C C . ILE A 1 79 ? -0.245 -5.799 -1.688 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 8 +ATOM 12486 O O . ILE A 1 79 ? -0.762 -6.706 -2.351 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 8 +ATOM 12487 C CB . ILE A 1 79 ? 2.159 -5.851 -1.066 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 8 +ATOM 12488 C CG1 . ILE A 1 79 ? 3.566 -5.301 -1.317 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 8 +ATOM 12489 C CG2 . ILE A 1 79 ? 2.171 -7.381 -1.173 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 8 +ATOM 12490 C CD1 . ILE A 1 79 ? 4.602 -5.838 -0.344 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 8 +ATOM 12491 H H . ILE A 1 79 ? 1.216 -3.334 -1.134 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 8 +ATOM 12492 H HA . ILE A 1 79 ? 1.380 -5.550 -3.057 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 8 +ATOM 12493 H HB . ILE A 1 79 ? 1.853 -5.594 -0.062 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 8 +ATOM 12494 H HG12 . ILE A 1 79 ? 3.881 -5.566 -2.315 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 8 +ATOM 12495 H HG13 . ILE A 1 79 ? 3.547 -4.224 -1.224 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 8 +ATOM 12496 H HG21 . ILE A 1 79 ? 2.888 -7.783 -0.472 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 8 +ATOM 12497 H HG22 . ILE A 1 79 ? 2.453 -7.661 -2.175 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 8 +ATOM 12498 H HG23 . ILE A 1 79 ? 1.187 -7.765 -0.951 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 8 +ATOM 12499 H HD11 . ILE A 1 79 ? 4.594 -6.917 -0.390 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 8 +ATOM 12500 H HD12 . ILE A 1 79 ? 4.355 -5.525 0.660 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 8 +ATOM 12501 H HD13 . ILE A 1 79 ? 5.582 -5.479 -0.616 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 8 +ATOM 12502 N N . SER A 1 80 ? -0.842 -5.247 -0.672 1.00 0.00 ? ? ? ? ? ? 77 SER A N 8 +ATOM 12503 C CA . SER A 1 80 ? -2.094 -5.744 -0.198 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 8 +ATOM 12504 C C . SER A 1 80 ? -3.001 -4.597 0.218 1.00 0.00 ? ? ? ? ? ? 77 SER A C 8 +ATOM 12505 O O . SER A 1 80 ? -2.534 -3.570 0.722 1.00 0.00 ? ? ? ? ? ? 77 SER A O 8 +ATOM 12506 C CB . SER A 1 80 ? -1.850 -6.748 0.952 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 8 +ATOM 12507 O OG . SER A 1 80 ? -1.045 -6.184 1.982 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 8 +ATOM 12508 H H . SER A 1 80 ? -0.451 -4.480 -0.198 1.00 0.00 ? ? ? ? ? ? 77 SER A H 8 +ATOM 12509 H HA . SER A 1 80 ? -2.563 -6.270 -1.015 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 8 +ATOM 12510 H HB2 . SER A 1 80 ? -2.790 -7.056 1.383 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 8 +ATOM 12511 H HB3 . SER A 1 80 ? -1.330 -7.609 0.556 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 8 +ATOM 12512 H HG . SER A 1 80 ? -0.955 -6.822 2.700 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 8 +ATOM 12513 N N . VAL A 1 81 ? -4.276 -4.749 -0.035 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 8 +ATOM 12514 C CA . VAL A 1 81 ? -5.247 -3.756 0.318 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 8 +ATOM 12515 C C . VAL A 1 81 ? -6.572 -4.449 0.625 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 8 +ATOM 12516 O O . VAL A 1 81 ? -6.907 -5.474 0.003 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 8 +ATOM 12517 C CB . VAL A 1 81 ? -5.407 -2.669 -0.809 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 8 +ATOM 12518 C CG1 . VAL A 1 81 ? -5.849 -3.274 -2.134 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 8 +ATOM 12519 C CG2 . VAL A 1 81 ? -6.353 -1.555 -0.384 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 8 +ATOM 12520 H H . VAL A 1 81 ? -4.618 -5.559 -0.469 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 8 +ATOM 12521 H HA . VAL A 1 81 ? -4.900 -3.278 1.222 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 8 +ATOM 12522 H HB . VAL A 1 81 ? -4.431 -2.237 -0.974 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 8 +ATOM 12523 H HG11 . VAL A 1 81 ? -5.944 -2.492 -2.874 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 8 +ATOM 12524 H HG12 . VAL A 1 81 ? -6.803 -3.762 -2.004 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 8 +ATOM 12525 H HG13 . VAL A 1 81 ? -5.116 -3.996 -2.462 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 8 +ATOM 12526 H HG21 . VAL A 1 81 ? -5.968 -1.070 0.501 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 8 +ATOM 12527 H HG22 . VAL A 1 81 ? -7.326 -1.973 -0.169 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 8 +ATOM 12528 H HG23 . VAL A 1 81 ? -6.442 -0.832 -1.183 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 8 +ATOM 12529 N N . GLY A 1 82 ? -7.266 -3.957 1.619 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 8 +ATOM 12530 C CA . GLY A 1 82 ? -8.546 -4.504 1.982 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 8 +ATOM 12531 C C . GLY A 1 82 ? -8.802 -4.330 3.451 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 8 +ATOM 12532 O O . GLY A 1 82 ? -8.466 -3.296 4.017 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 8 +ATOM 12533 H H . GLY A 1 82 ? -6.887 -3.215 2.145 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 8 +ATOM 12534 H HA2 . GLY A 1 82 ? -9.315 -3.989 1.425 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 8 +ATOM 12535 H HA3 . GLY A 1 82 ? -8.578 -5.555 1.737 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 8 +ATOM 12536 N N . LYS A 1 83 ? -9.374 -5.314 4.078 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 8 +ATOM 12537 C CA . LYS A 1 83 ? -9.655 -5.251 5.493 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 8 +ATOM 12538 C C . LYS A 1 83 ? -8.872 -6.316 6.223 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 8 +ATOM 12539 O O . LYS A 1 83 ? -8.492 -7.330 5.636 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 8 +ATOM 12540 C CB . LYS A 1 83 ? -11.154 -5.421 5.782 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 8 +ATOM 12541 C CG . LYS A 1 83 ? -12.040 -4.330 5.191 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 8 +ATOM 12542 C CD . LYS A 1 83 ? -13.518 -4.553 5.511 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 8 +ATOM 12543 C CE . LYS A 1 83 ? -13.801 -4.480 7.006 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 8 +ATOM 12544 N NZ . LYS A 1 83 ? -15.230 -4.699 7.318 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 8 +ATOM 12545 H H . LYS A 1 83 ? -9.601 -6.135 3.590 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 8 +ATOM 12546 H HA . LYS A 1 83 ? -9.338 -4.282 5.849 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 8 +ATOM 12547 H HB2 . LYS A 1 83 ? -11.477 -6.371 5.384 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 8 +ATOM 12548 H HB3 . LYS A 1 83 ? -11.287 -5.428 6.854 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 8 +ATOM 12549 H HG2 . LYS A 1 83 ? -11.736 -3.376 5.596 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 8 +ATOM 12550 H HG3 . LYS A 1 83 ? -11.911 -4.318 4.119 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 8 +ATOM 12551 H HD2 . LYS A 1 83 ? -14.099 -3.789 5.017 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 8 +ATOM 12552 H HD3 . LYS A 1 83 ? -13.816 -5.525 5.144 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 8 +ATOM 12553 H HE2 . LYS A 1 83 ? -13.224 -5.242 7.508 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 8 +ATOM 12554 H HE3 . LYS A 1 83 ? -13.504 -3.507 7.367 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 8 +ATOM 12555 H HZ1 . LYS A 1 83 ? -15.396 -4.646 8.342 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 8 +ATOM 12556 H HZ2 . LYS A 1 83 ? -15.510 -5.655 7.027 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 8 +ATOM 12557 H HZ3 . LYS A 1 83 ? -15.855 -4.017 6.842 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 8 +ATOM 12558 N N . ALA A 1 84 ? -8.630 -6.081 7.482 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 8 +ATOM 12559 C CA . ALA A 1 84 ? -7.922 -7.007 8.314 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 8 +ATOM 12560 C C . ALA A 1 84 ? -8.713 -7.198 9.578 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 8 +ATOM 12561 O O . ALA A 1 84 ? -9.099 -6.212 10.223 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 8 +ATOM 12562 C CB . ALA A 1 84 ? -6.535 -6.473 8.643 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 8 +ATOM 12563 H H . ALA A 1 84 ? -8.965 -5.264 7.904 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 8 +ATOM 12564 H HA . ALA A 1 84 ? -7.821 -7.939 7.776 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 8 +ATOM 12565 H HB1 . ALA A 1 84 ? -6.015 -7.182 9.271 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 8 +ATOM 12566 H HB2 . ALA A 1 84 ? -6.630 -5.534 9.169 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 8 +ATOM 12567 H HB3 . ALA A 1 84 ? -5.978 -6.321 7.731 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 8 +ATOM 12568 N N . GLU A 1 85 ? -8.961 -8.418 9.928 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 8 +ATOM 12569 C CA . GLU A 1 85 ? -9.710 -8.739 11.115 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 8 +ATOM 12570 C C . GLU A 1 85 ? -8.735 -8.978 12.243 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 8 +ATOM 12571 O O . GLU A 1 85 ? -8.969 -8.578 13.391 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 8 +ATOM 12572 C CB . GLU A 1 85 ? -10.568 -9.982 10.883 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 8 +ATOM 12573 C CG . GLU A 1 85 ? -11.572 -9.841 9.747 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 8 +ATOM 12574 C CD . GLU A 1 85 ? -12.579 -8.740 9.979 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 8 +ATOM 12575 O OE1 . GLU A 1 85 ? -13.544 -8.948 10.734 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 8 +ATOM 12576 O OE2 . GLU A 1 85 ? -12.433 -7.648 9.401 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 8 +ATOM 12577 H H . GLU A 1 85 ? -8.587 -9.163 9.399 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 8 +ATOM 12578 H HA . GLU A 1 85 ? -10.345 -7.902 11.360 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 8 +ATOM 12579 H HB2 . GLU A 1 85 ? -9.918 -10.815 10.659 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 8 +ATOM 12580 H HB3 . GLU A 1 85 ? -11.115 -10.199 11.789 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 8 +ATOM 12581 H HG2 . GLU A 1 85 ? -11.032 -9.619 8.839 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 8 +ATOM 12582 H HG3 . GLU A 1 85 ? -12.100 -10.775 9.627 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 8 +ATOM 12583 N N . ALA A 1 86 ? -7.639 -9.606 11.906 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 8 +ATOM 12584 C CA . ALA A 1 86 ? -6.595 -9.881 12.841 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 8 +ATOM 12585 C C . ALA A 1 86 ? -5.249 -9.445 12.271 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 8 +ATOM 12586 O O . ALA A 1 86 ? -4.619 -8.511 12.797 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 8 +ATOM 12587 C CB . ALA A 1 86 ? -6.580 -11.358 13.206 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 8 +ATOM 12588 H H . ALA A 1 86 ? -7.531 -9.908 10.971 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 8 +ATOM 12589 H HA . ALA A 1 86 ? -6.798 -9.310 13.735 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 8 +ATOM 12590 H HB1 . ALA A 1 86 ? -7.541 -11.638 13.612 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 8 +ATOM 12591 H HB2 . ALA A 1 86 ? -5.811 -11.539 13.941 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 8 +ATOM 12592 H HB3 . ALA A 1 86 ? -6.378 -11.944 12.321 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 8 +ATOM 12593 N N . SER A 1 87 ? -4.827 -10.068 11.170 1.00 0.00 ? ? ? ? ? ? 84 SER A N 8 +ATOM 12594 C CA . SER A 1 87 ? -3.515 -9.769 10.597 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 8 +ATOM 12595 C C . SER A 1 87 ? -3.434 -10.242 9.120 1.00 0.00 ? ? ? ? ? ? 84 SER A C 8 +ATOM 12596 O O . SER A 1 87 ? -2.339 -10.387 8.554 1.00 0.00 ? ? ? ? ? ? 84 SER A O 8 +ATOM 12597 C CB . SER A 1 87 ? -2.439 -10.478 11.456 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 8 +ATOM 12598 O OG . SER A 1 87 ? -1.123 -10.071 11.121 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 8 +ATOM 12599 H H . SER A 1 87 ? -5.406 -10.749 10.756 1.00 0.00 ? ? ? ? ? ? 84 SER A H 8 +ATOM 12600 H HA . SER A 1 87 ? -3.357 -8.702 10.653 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 8 +ATOM 12601 H HB2 . SER A 1 87 ? -2.614 -10.267 12.500 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 8 +ATOM 12602 H HB3 . SER A 1 87 ? -2.522 -11.543 11.296 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 8 +ATOM 12603 H HG . SER A 1 87 ? -0.909 -10.432 10.253 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 8 +ATOM 12604 N N . GLU A 1 88 ? -4.589 -10.372 8.487 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 8 +ATOM 12605 C CA . GLU A 1 88 ? -4.732 -10.941 7.140 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 8 +ATOM 12606 C C . GLU A 1 88 ? -3.922 -10.182 6.094 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 8 +ATOM 12607 O O . GLU A 1 88 ? -3.210 -10.786 5.301 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 8 +ATOM 12608 C CB . GLU A 1 88 ? -6.219 -10.974 6.720 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 8 +ATOM 12609 C CG . GLU A 1 88 ? -7.137 -11.881 7.561 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 8 +ATOM 12610 C CD . GLU A 1 88 ? -7.131 -11.524 9.022 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 8 +ATOM 12611 O OE1 . GLU A 1 88 ? -7.221 -10.324 9.346 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 8 +ATOM 12612 O OE2 . GLU A 1 88 ? -6.904 -12.400 9.854 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 8 +ATOM 12613 H H . GLU A 1 88 ? -5.429 -10.103 8.926 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 8 +ATOM 12614 H HA . GLU A 1 88 ? -4.376 -11.960 7.177 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 8 +ATOM 12615 H HB2 . GLU A 1 88 ? -6.612 -9.970 6.776 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 8 +ATOM 12616 H HB3 . GLU A 1 88 ? -6.265 -11.301 5.694 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 8 +ATOM 12617 H HG2 . GLU A 1 88 ? -8.148 -11.795 7.192 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 8 +ATOM 12618 H HG3 . GLU A 1 88 ? -6.804 -12.902 7.452 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 8 +ATOM 12619 N N . VAL A 1 89 ? -3.993 -8.858 6.126 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 8 +ATOM 12620 C CA . VAL A 1 89 ? -3.300 -8.023 5.136 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 8 +ATOM 12621 C C . VAL A 1 89 ? -1.770 -8.155 5.217 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 8 +ATOM 12622 O O . VAL A 1 89 ? -1.070 -7.972 4.218 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 8 +ATOM 12623 C CB . VAL A 1 89 ? -3.721 -6.526 5.219 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 8 +ATOM 12624 C CG1 . VAL A 1 89 ? -5.202 -6.365 4.909 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 8 +ATOM 12625 C CG2 . VAL A 1 89 ? -3.387 -5.925 6.582 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 8 +ATOM 12626 H H . VAL A 1 89 ? -4.534 -8.439 6.826 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 8 +ATOM 12627 H HA . VAL A 1 89 ? -3.598 -8.403 4.169 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 8 +ATOM 12628 H HB . VAL A 1 89 ? -3.176 -5.985 4.462 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 8 +ATOM 12629 H HG11 . VAL A 1 89 ? -5.473 -5.322 4.985 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 8 +ATOM 12630 H HG12 . VAL A 1 89 ? -5.784 -6.944 5.609 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 8 +ATOM 12631 H HG13 . VAL A 1 89 ? -5.400 -6.712 3.906 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 8 +ATOM 12632 H HG21 . VAL A 1 89 ? -2.320 -5.961 6.740 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 8 +ATOM 12633 H HG22 . VAL A 1 89 ? -3.876 -6.497 7.356 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 8 +ATOM 12634 H HG23 . VAL A 1 89 ? -3.723 -4.899 6.619 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 8 +ATOM 12635 N N . TYR A 1 90 ? -1.272 -8.519 6.390 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 8 +ATOM 12636 C CA . TYR A 1 90 ? 0.157 -8.685 6.603 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 8 +ATOM 12637 C C . TYR A 1 90 ? 0.570 -10.034 6.051 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 8 +ATOM 12638 O O . TYR A 1 90 ? 1.567 -10.157 5.335 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 8 +ATOM 12639 C CB . TYR A 1 90 ? 0.495 -8.626 8.098 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 8 +ATOM 12640 C CG . TYR A 1 90 ? 0.046 -7.365 8.804 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 8 +ATOM 12641 C CD1 . TYR A 1 90 ? -1.227 -7.270 9.345 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 8 +ATOM 12642 C CD2 . TYR A 1 90 ? 0.892 -6.280 8.939 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 8 +ATOM 12643 C CE1 . TYR A 1 90 ? -1.646 -6.134 9.996 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 8 +ATOM 12644 C CE2 . TYR A 1 90 ? 0.481 -5.138 9.592 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 8 +ATOM 12645 C CZ . TYR A 1 90 ? -0.787 -5.070 10.118 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 8 +ATOM 12646 O OH . TYR A 1 90 ? -1.199 -3.932 10.774 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 8 +ATOM 12647 H H . TYR A 1 90 ? -1.886 -8.707 7.129 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 8 +ATOM 12648 H HA . TYR A 1 90 ? 0.683 -7.901 6.078 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 8 +ATOM 12649 H HB2 . TYR A 1 90 ? 0.021 -9.460 8.595 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 8 +ATOM 12650 H HB3 . TYR A 1 90 ? 1.566 -8.713 8.217 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 8 +ATOM 12651 H HD1 . TYR A 1 90 ? -1.897 -8.111 9.244 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 8 +ATOM 12652 H HD2 . TYR A 1 90 ? 1.888 -6.336 8.526 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 8 +ATOM 12653 H HE1 . TYR A 1 90 ? -2.643 -6.086 10.408 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 8 +ATOM 12654 H HE2 . TYR A 1 90 ? 1.154 -4.299 9.689 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 8 +ATOM 12655 H HH . TYR A 1 90 ? -1.659 -4.223 11.571 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 8 +ATOM 12656 N N . SER A 1 91 ? -0.233 -11.032 6.367 1.00 0.00 ? ? ? ? ? ? 88 SER A N 8 +ATOM 12657 C CA . SER A 1 91 ? -0.020 -12.378 5.921 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 8 +ATOM 12658 C C . SER A 1 91 ? -0.100 -12.465 4.404 1.00 0.00 ? ? ? ? ? ? 88 SER A C 8 +ATOM 12659 O O . SER A 1 91 ? 0.748 -13.086 3.779 1.00 0.00 ? ? ? ? ? ? 88 SER A O 8 +ATOM 12660 C CB . SER A 1 91 ? -1.024 -13.290 6.607 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 8 +ATOM 12661 O OG . SER A 1 91 ? -0.926 -13.129 8.022 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 8 +ATOM 12662 H H . SER A 1 91 ? -1.009 -10.878 6.948 1.00 0.00 ? ? ? ? ? ? 88 SER A H 8 +ATOM 12663 H HA . SER A 1 91 ? 0.975 -12.690 6.194 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 8 +ATOM 12664 H HB2 . SER A 1 91 ? -2.021 -13.026 6.289 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 8 +ATOM 12665 H HB3 . SER A 1 91 ? -0.823 -14.322 6.357 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 8 +ATOM 12666 H HG . SER A 1 91 ? -1.192 -13.964 8.428 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 8 +ATOM 12667 N N . GLU A 1 92 ? -1.075 -11.798 3.813 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 8 +ATOM 12668 C CA . GLU A 1 92 ? -1.206 -11.763 2.362 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 8 +ATOM 12669 C C . GLU A 1 92 ? -0.045 -11.025 1.694 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 8 +ATOM 12670 O O . GLU A 1 92 ? 0.319 -11.318 0.550 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 8 +ATOM 12671 C CB . GLU A 1 92 ? -2.556 -11.209 1.939 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 8 +ATOM 12672 C CG . GLU A 1 92 ? -3.691 -12.184 2.196 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 8 +ATOM 12673 C CD . GLU A 1 92 ? -3.545 -13.444 1.361 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 8 +ATOM 12674 O OE1 . GLU A 1 92 ? -4.028 -13.460 0.214 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 8 +ATOM 12675 O OE2 . GLU A 1 92 ? -2.939 -14.430 1.822 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 8 +ATOM 12676 H H . GLU A 1 92 ? -1.745 -11.333 4.365 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 8 +ATOM 12677 H HA . GLU A 1 92 ? -1.148 -12.795 2.047 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 8 +ATOM 12678 H HB2 . GLU A 1 92 ? -2.751 -10.300 2.488 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 8 +ATOM 12679 H HB3 . GLU A 1 92 ? -2.532 -10.989 0.882 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 8 +ATOM 12680 H HG2 . GLU A 1 92 ? -3.689 -12.456 3.241 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 8 +ATOM 12681 H HG3 . GLU A 1 92 ? -4.628 -11.708 1.947 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 8 +ATOM 12682 N N . ALA A 1 93 ? 0.544 -10.085 2.403 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 8 +ATOM 12683 C CA . ALA A 1 93 ? 1.688 -9.370 1.890 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 8 +ATOM 12684 C C . ALA A 1 93 ? 2.895 -10.308 1.807 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 8 +ATOM 12685 O O . ALA A 1 93 ? 3.538 -10.415 0.762 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 8 +ATOM 12686 C CB . ALA A 1 93 ? 1.996 -8.150 2.744 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 8 +ATOM 12687 H H . ALA A 1 93 ? 0.201 -9.870 3.295 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 8 +ATOM 12688 H HA . ALA A 1 93 ? 1.439 -9.044 0.891 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 8 +ATOM 12689 H HB1 . ALA A 1 93 ? 1.130 -7.505 2.780 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 8 +ATOM 12690 H HB2 . ALA A 1 93 ? 2.829 -7.610 2.317 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 8 +ATOM 12691 H HB3 . ALA A 1 93 ? 2.246 -8.468 3.745 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 8 +ATOM 12692 N N . VAL A 1 94 ? 3.159 -11.042 2.894 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 8 +ATOM 12693 C CA . VAL A 1 94 ? 4.292 -11.972 2.929 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 8 +ATOM 12694 C C . VAL A 1 94 ? 4.024 -13.206 2.027 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 8 +ATOM 12695 O O . VAL A 1 94 ? 4.952 -13.839 1.522 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 8 +ATOM 12696 C CB . VAL A 1 94 ? 4.695 -12.376 4.392 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 8 +ATOM 12697 C CG1 . VAL A 1 94 ? 3.614 -13.164 5.093 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 8 +ATOM 12698 C CG2 . VAL A 1 94 ? 6.021 -13.117 4.432 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 8 +ATOM 12699 H H . VAL A 1 94 ? 2.581 -10.945 3.684 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 8 +ATOM 12700 H HA . VAL A 1 94 ? 5.115 -11.444 2.469 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 8 +ATOM 12701 H HB . VAL A 1 94 ? 4.814 -11.456 4.946 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 8 +ATOM 12702 H HG11 . VAL A 1 94 ? 2.713 -12.571 5.128 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 8 +ATOM 12703 H HG12 . VAL A 1 94 ? 3.935 -13.402 6.097 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 8 +ATOM 12704 H HG13 . VAL A 1 94 ? 3.426 -14.075 4.546 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 8 +ATOM 12705 H HG21 . VAL A 1 94 ? 6.801 -12.485 4.033 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 8 +ATOM 12706 H HG22 . VAL A 1 94 ? 5.948 -14.014 3.835 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 8 +ATOM 12707 H HG23 . VAL A 1 94 ? 6.257 -13.381 5.452 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 8 +ATOM 12708 N N . LYS A 1 95 ? 2.740 -13.480 1.784 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 8 +ATOM 12709 C CA . LYS A 1 95 ? 2.277 -14.540 0.865 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 8 +ATOM 12710 C C . LYS A 1 95 ? 2.752 -14.291 -0.565 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 8 +ATOM 12711 O O . LYS A 1 95 ? 2.894 -15.228 -1.361 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 8 +ATOM 12712 C CB . LYS A 1 95 ? 0.748 -14.600 0.884 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 8 +ATOM 12713 C CG . LYS A 1 95 ? 0.142 -15.438 1.997 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 8 +ATOM 12714 C CD . LYS A 1 95 ? 0.143 -16.918 1.666 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 8 +ATOM 12715 C CE . LYS A 1 95 ? -0.848 -17.235 0.550 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 8 +ATOM 12716 N NZ . LYS A 1 95 ? -2.253 -16.904 0.930 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 8 +ATOM 12717 H H . LYS A 1 95 ? 2.063 -12.954 2.266 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 8 +ATOM 12718 H HA . LYS A 1 95 ? 2.664 -15.486 1.212 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 8 +ATOM 12719 H HB2 . LYS A 1 95 ? 0.411 -13.587 1.052 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 8 +ATOM 12720 H HB3 . LYS A 1 95 ? 0.386 -14.950 -0.070 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 8 +ATOM 12721 H HG2 . LYS A 1 95 ? 0.723 -15.283 2.892 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 8 +ATOM 12722 H HG3 . LYS A 1 95 ? -0.874 -15.111 2.164 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 8 +ATOM 12723 H HD2 . LYS A 1 95 ? 1.132 -17.203 1.343 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 8 +ATOM 12724 H HD3 . LYS A 1 95 ? -0.128 -17.483 2.545 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 8 +ATOM 12725 H HE2 . LYS A 1 95 ? -0.583 -16.686 -0.341 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 8 +ATOM 12726 H HE3 . LYS A 1 95 ? -0.785 -18.291 0.334 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 8 +ATOM 12727 H HZ1 . LYS A 1 95 ? -2.546 -17.436 1.774 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 8 +ATOM 12728 H HZ2 . LYS A 1 95 ? -2.918 -17.160 0.173 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 8 +ATOM 12729 H HZ3 . LYS A 1 95 ? -2.395 -15.889 1.137 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 8 +ATOM 12730 N N . ARG A 1 96 ? 2.988 -13.033 -0.894 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 8 +ATOM 12731 C CA . ARG A 1 96 ? 3.452 -12.682 -2.221 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 8 +ATOM 12732 C C . ARG A 1 96 ? 4.980 -12.715 -2.260 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 8 +ATOM 12733 O O . ARG A 1 96 ? 5.603 -12.663 -3.329 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 8 +ATOM 12734 C CB . ARG A 1 96 ? 2.990 -11.282 -2.605 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 8 +ATOM 12735 C CG . ARG A 1 96 ? 3.171 -10.982 -4.083 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 8 +ATOM 12736 C CD . ARG A 1 96 ? 3.482 -9.529 -4.326 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 8 +ATOM 12737 N NE . ARG A 1 96 ? 4.799 -9.161 -3.776 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 8 +ATOM 12738 C CZ . ARG A 1 96 ? 5.323 -7.936 -3.807 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 8 +ATOM 12739 N NH1 . ARG A 1 96 ? 4.746 -6.971 -4.533 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 8 +ATOM 12740 N NH2 . ARG A 1 96 ? 6.470 -7.699 -3.190 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 8 +ATOM 12741 H H . ARG A 1 96 ? 2.835 -12.325 -0.231 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 8 +ATOM 12742 H HA . ARG A 1 96 ? 3.064 -13.393 -2.929 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 8 +ATOM 12743 H HB2 . ARG A 1 96 ? 1.943 -11.177 -2.357 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 8 +ATOM 12744 H HB3 . ARG A 1 96 ? 3.558 -10.559 -2.040 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 8 +ATOM 12745 H HG2 . ARG A 1 96 ? 3.990 -11.578 -4.452 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 8 +ATOM 12746 H HG3 . ARG A 1 96 ? 2.264 -11.250 -4.606 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 8 +ATOM 12747 H HD2 . ARG A 1 96 ? 3.479 -9.341 -5.389 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 8 +ATOM 12748 H HD3 . ARG A 1 96 ? 2.724 -8.924 -3.853 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 8 +ATOM 12749 H HE . ARG A 1 96 ? 5.288 -9.889 -3.333 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 8 +ATOM 12750 H HH11 . ARG A 1 96 ? 3.914 -7.129 -5.091 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 8 +ATOM 12751 H HH12 . ARG A 1 96 ? 5.124 -6.043 -4.543 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 8 +ATOM 12752 H HH21 . ARG A 1 96 ? 6.993 -8.403 -2.698 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 8 +ATOM 12753 H HH22 . ARG A 1 96 ? 6.866 -6.771 -3.173 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 8 +ATOM 12754 N N . ILE A 1 97 ? 5.568 -12.795 -1.102 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 8 +ATOM 12755 C CA . ILE A 1 97 ? 6.995 -12.735 -0.974 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 8 +ATOM 12756 C C . ILE A 1 97 ? 7.583 -14.147 -0.947 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 8 +ATOM 12757 O O . ILE A 1 97 ? 8.380 -14.518 -1.827 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 8 +ATOM 12758 C CB . ILE A 1 97 ? 7.388 -11.909 0.286 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 8 +ATOM 12759 C CG1 . ILE A 1 97 ? 6.756 -10.509 0.181 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 8 +ATOM 12760 C CG2 . ILE A 1 97 ? 8.900 -11.795 0.416 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 8 +ATOM 12761 C CD1 . ILE A 1 97 ? 6.986 -9.618 1.374 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 8 +ATOM 12762 H H . ILE A 1 97 ? 5.021 -12.932 -0.300 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 8 +ATOM 12763 H HA . ILE A 1 97 ? 7.378 -12.234 -1.850 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 8 +ATOM 12764 H HB . ILE A 1 97 ? 6.995 -12.396 1.165 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 8 +ATOM 12765 H HG12 . ILE A 1 97 ? 7.168 -10.003 -0.678 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 8 +ATOM 12766 H HG13 . ILE A 1 97 ? 5.689 -10.619 0.045 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 8 +ATOM 12767 H HG21 . ILE A 1 97 ? 9.144 -11.240 1.312 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 8 +ATOM 12768 H HG22 . ILE A 1 97 ? 9.291 -11.273 -0.444 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 8 +ATOM 12769 H HG23 . ILE A 1 97 ? 9.329 -12.784 0.472 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 8 +ATOM 12770 H HD11 . ILE A 1 97 ? 8.045 -9.449 1.496 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 8 +ATOM 12771 H HD12 . ILE A 1 97 ? 6.587 -10.093 2.257 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 8 +ATOM 12772 H HD13 . ILE A 1 97 ? 6.481 -8.677 1.208 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 8 +ATOM 12773 N N . LEU A 1 98 ? 7.172 -14.939 0.009 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 8 +ATOM 12774 C CA . LEU A 1 98 ? 7.620 -16.305 0.099 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 8 +ATOM 12775 C C . LEU A 1 98 ? 6.468 -17.194 0.513 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 8 +ATOM 12776 O O . LEU A 1 98 ? 5.842 -17.810 -0.364 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 8 +ATOM 12777 C CB . LEU A 1 98 ? 8.889 -16.516 1.001 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 8 +ATOM 12778 C CG . LEU A 1 98 ? 8.828 -16.159 2.506 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 8 +ATOM 12779 C CD1 . LEU A 1 98 ? 10.035 -16.744 3.217 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 8 +ATOM 12780 C CD2 . LEU A 1 98 ? 8.814 -14.656 2.720 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 8 +ATOM 12781 O OXT . LEU A 1 98 ? 6.131 -17.231 1.705 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 8 +ATOM 12782 H H . LEU A 1 98 ? 6.517 -14.635 0.676 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 8 +ATOM 12783 H HA . LEU A 1 98 ? 7.868 -16.584 -0.914 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 8 +ATOM 12784 H HB2 . LEU A 1 98 ? 9.159 -17.560 0.938 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 8 +ATOM 12785 H HB3 . LEU A 1 98 ? 9.694 -15.948 0.558 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 8 +ATOM 12786 H HG . LEU A 1 98 ? 7.935 -16.582 2.940 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 8 +ATOM 12787 H HD11 . LEU A 1 98 ? 9.988 -16.495 4.266 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 8 +ATOM 12788 H HD12 . LEU A 1 98 ? 10.942 -16.339 2.794 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 8 +ATOM 12789 H HD13 . LEU A 1 98 ? 10.033 -17.818 3.105 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 8 +ATOM 12790 H HD21 . LEU A 1 98 ? 9.717 -14.225 2.315 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 8 +ATOM 12791 H HD22 . LEU A 1 98 ? 8.754 -14.444 3.777 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 8 +ATOM 12792 H HD23 . LEU A 1 98 ? 7.957 -14.234 2.217 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 8 +ATOM 12793 N N . MET A 1 4 ? 10.910 15.241 -1.768 1.00 0.00 ? ? ? ? ? ? 1 MET A N 9 +ATOM 12794 C CA . MET A 1 4 ? 11.088 14.090 -2.645 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 9 +ATOM 12795 C C . MET A 1 4 ? 9.759 13.424 -2.817 1.00 0.00 ? ? ? ? ? ? 1 MET A C 9 +ATOM 12796 O O . MET A 1 4 ? 8.953 13.431 -1.900 1.00 0.00 ? ? ? ? ? ? 1 MET A O 9 +ATOM 12797 C CB . MET A 1 4 ? 12.092 13.087 -2.044 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 9 +ATOM 12798 C CG . MET A 1 4 ? 12.398 11.891 -2.942 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 9 +ATOM 12799 S SD . MET A 1 4 ? 13.552 10.724 -2.197 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 9 +ATOM 12800 C CE . MET A 1 4 ? 13.686 9.513 -3.514 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 9 +ATOM 12801 H H . MET A 1 4 ? 10.266 15.920 -2.225 1.00 0.00 ? ? ? ? ? ? 1 MET A H 9 +ATOM 12802 H HA . MET A 1 4 ? 11.446 14.439 -3.601 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 9 +ATOM 12803 H HB2 . MET A 1 4 ? 13.021 13.596 -1.835 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 9 +ATOM 12804 H HB3 . MET A 1 4 ? 11.676 12.713 -1.122 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 9 +ATOM 12805 H HG2 . MET A 1 4 ? 11.475 11.372 -3.153 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 9 +ATOM 12806 H HG3 . MET A 1 4 ? 12.822 12.253 -3.867 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 9 +ATOM 12807 H HE1 . MET A 1 4 ? 14.046 9.998 -4.409 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 9 +ATOM 12808 H HE2 . MET A 1 4 ? 12.717 9.076 -3.702 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 9 +ATOM 12809 H HE3 . MET A 1 4 ? 14.378 8.738 -3.221 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 9 +ATOM 12810 N N . ALA A 1 5 ? 9.521 12.876 -3.972 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 9 +ATOM 12811 C CA . ALA A 1 5 ? 8.305 12.167 -4.233 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 9 +ATOM 12812 C C . ALA A 1 5 ? 8.642 10.842 -4.862 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 9 +ATOM 12813 O O . ALA A 1 5 ? 9.699 10.697 -5.480 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 9 +ATOM 12814 C CB . ALA A 1 5 ? 7.390 12.973 -5.139 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 9 +ATOM 12815 H H . ALA A 1 5 ? 10.190 12.916 -4.692 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 9 +ATOM 12816 H HA . ALA A 1 5 ? 7.804 11.997 -3.291 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 9 +ATOM 12817 H HB1 . ALA A 1 5 ? 7.877 13.141 -6.089 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 9 +ATOM 12818 H HB2 . ALA A 1 5 ? 7.170 13.922 -4.673 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 9 +ATOM 12819 H HB3 . ALA A 1 5 ? 6.472 12.426 -5.295 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 9 +ATOM 12820 N N . TYR A 1 6 ? 7.787 9.886 -4.673 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 9 +ATOM 12821 C CA . TYR A 1 6 ? 7.963 8.569 -5.227 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 9 +ATOM 12822 C C . TYR A 1 6 ? 6.808 8.291 -6.165 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 9 +ATOM 12823 O O . TYR A 1 6 ? 5.838 9.040 -6.185 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 9 +ATOM 12824 C CB . TYR A 1 6 ? 8.008 7.498 -4.115 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 9 +ATOM 12825 C CG . TYR A 1 6 ? 9.223 7.542 -3.193 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 9 +ATOM 12826 C CD1 . TYR A 1 6 ? 9.426 8.591 -2.302 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 9 +ATOM 12827 C CD2 . TYR A 1 6 ? 10.146 6.505 -3.192 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 9 +ATOM 12828 C CE1 . TYR A 1 6 ? 10.508 8.603 -1.443 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 9 +ATOM 12829 C CE2 . TYR A 1 6 ? 11.233 6.515 -2.339 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 9 +ATOM 12830 C CZ . TYR A 1 6 ? 11.410 7.561 -1.468 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 9 +ATOM 12831 O OH . TYR A 1 6 ? 12.481 7.556 -0.593 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 9 +ATOM 12832 H H . TYR A 1 6 ? 6.970 10.063 -4.162 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 9 +ATOM 12833 H HA . TYR A 1 6 ? 8.889 8.551 -5.782 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 9 +ATOM 12834 H HB2 . TYR A 1 6 ? 7.137 7.611 -3.487 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 9 +ATOM 12835 H HB3 . TYR A 1 6 ? 7.976 6.523 -4.578 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 9 +ATOM 12836 H HD1 . TYR A 1 6 ? 8.718 9.407 -2.287 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 9 +ATOM 12837 H HD2 . TYR A 1 6 ? 10.011 5.681 -3.877 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 9 +ATOM 12838 H HE1 . TYR A 1 6 ? 10.646 9.428 -0.759 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 9 +ATOM 12839 H HE2 . TYR A 1 6 ? 11.942 5.703 -2.351 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 9 +ATOM 12840 H HH . TYR A 1 6 ? 13.267 7.178 -1.023 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 9 +ATOM 12841 N N . PHE A 1 7 ? 6.913 7.248 -6.930 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 9 +ATOM 12842 C CA . PHE A 1 7 ? 5.870 6.874 -7.864 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 9 +ATOM 12843 C C . PHE A 1 7 ? 4.992 5.771 -7.294 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 9 +ATOM 12844 O O . PHE A 1 7 ? 5.366 5.115 -6.323 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 9 +ATOM 12845 C CB . PHE A 1 7 ? 6.495 6.446 -9.195 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 9 +ATOM 12846 C CG . PHE A 1 7 ? 7.178 7.577 -9.911 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 9 +ATOM 12847 C CD1 . PHE A 1 7 ? 6.459 8.425 -10.734 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 9 +ATOM 12848 C CD2 . PHE A 1 7 ? 8.536 7.798 -9.754 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 9 +ATOM 12849 C CE1 . PHE A 1 7 ? 7.080 9.473 -11.382 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 9 +ATOM 12850 C CE2 . PHE A 1 7 ? 9.162 8.841 -10.400 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 9 +ATOM 12851 C CZ . PHE A 1 7 ? 8.435 9.679 -11.215 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 9 +ATOM 12852 H H . PHE A 1 7 ? 7.733 6.710 -6.885 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 9 +ATOM 12853 H HA . PHE A 1 7 ? 5.262 7.750 -8.037 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 9 +ATOM 12854 H HB2 . PHE A 1 7 ? 7.248 5.703 -8.977 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 9 +ATOM 12855 H HB3 . PHE A 1 7 ? 5.755 6.005 -9.846 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 9 +ATOM 12856 H HD1 . PHE A 1 7 ? 5.399 8.263 -10.863 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 9 +ATOM 12857 H HD2 . PHE A 1 7 ? 9.110 7.142 -9.115 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 9 +ATOM 12858 H HE1 . PHE A 1 7 ? 6.509 10.128 -12.023 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 9 +ATOM 12859 H HE2 . PHE A 1 7 ? 10.222 9.002 -10.266 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 9 +ATOM 12860 H HZ . PHE A 1 7 ? 8.925 10.498 -11.719 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 9 +ATOM 12861 N N . LEU A 1 8 ? 3.824 5.584 -7.883 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 9 +ATOM 12862 C CA . LEU A 1 8 ? 2.893 4.542 -7.464 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 9 +ATOM 12863 C C . LEU A 1 8 ? 2.866 3.379 -8.419 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 9 +ATOM 12864 O O . LEU A 1 8 ? 2.740 3.558 -9.647 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 9 +ATOM 12865 C CB . LEU A 1 8 ? 1.447 5.068 -7.309 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 9 +ATOM 12866 C CG . LEU A 1 8 ? 1.007 5.558 -5.927 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 9 +ATOM 12867 C CD1 . LEU A 1 8 ? 1.125 4.447 -4.905 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 9 +ATOM 12868 C CD2 . LEU A 1 8 ? 1.790 6.769 -5.501 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 9 +ATOM 12869 H H . LEU A 1 8 ? 3.570 6.171 -8.625 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 9 +ATOM 12870 H HA . LEU A 1 8 ? 3.222 4.188 -6.499 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 9 +ATOM 12871 H HB2 . LEU A 1 8 ? 1.325 5.889 -8.001 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 9 +ATOM 12872 H HB3 . LEU A 1 8 ? 0.783 4.274 -7.617 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 9 +ATOM 12873 H HG . LEU A 1 8 ? -0.041 5.822 -5.957 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 9 +ATOM 12874 H HD11 . LEU A 1 8 ? 2.148 4.106 -4.848 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 9 +ATOM 12875 H HD12 . LEU A 1 8 ? 0.489 3.624 -5.192 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 9 +ATOM 12876 H HD13 . LEU A 1 8 ? 0.822 4.813 -3.936 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 9 +ATOM 12877 H HD21 . LEU A 1 8 ? 2.841 6.521 -5.495 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 9 +ATOM 12878 H HD22 . LEU A 1 8 ? 1.476 7.065 -4.510 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 9 +ATOM 12879 H HD23 . LEU A 1 8 ? 1.608 7.570 -6.202 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 9 +ATOM 12880 N N . ASP A 1 9 ? 2.978 2.202 -7.873 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 9 +ATOM 12881 C CA . ASP A 1 9 ? 2.794 0.990 -8.626 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 9 +ATOM 12882 C C . ASP A 1 9 ? 1.987 0.042 -7.791 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 9 +ATOM 12883 O O . ASP A 1 9 ? 2.049 0.081 -6.564 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 9 +ATOM 12884 C CB . ASP A 1 9 ? 4.104 0.341 -9.056 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 9 +ATOM 12885 C CG . ASP A 1 9 ? 3.875 -0.808 -10.016 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 9 +ATOM 12886 O OD1 . ASP A 1 9 ? 3.289 -0.582 -11.097 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 9 +ATOM 12887 O OD2 . ASP A 1 9 ? 4.270 -1.938 -9.725 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 9 +ATOM 12888 H H . ASP A 1 9 ? 3.200 2.116 -6.917 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 9 +ATOM 12889 H HA . ASP A 1 9 ? 2.205 1.241 -9.496 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 9 +ATOM 12890 H HB2 . ASP A 1 9 ? 4.757 1.067 -9.516 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 9 +ATOM 12891 H HB3 . ASP A 1 9 ? 4.566 -0.062 -8.168 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 9 +ATOM 12892 N N . PHE A 1 10 ? 1.229 -0.779 -8.430 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 9 +ATOM 12893 C CA . PHE A 1 10 ? 0.332 -1.678 -7.756 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 9 +ATOM 12894 C C . PHE A 1 10 ? 0.505 -3.054 -8.330 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 9 +ATOM 12895 O O . PHE A 1 10 ? 0.598 -3.208 -9.559 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 9 +ATOM 12896 C CB . PHE A 1 10 ? -1.140 -1.257 -7.973 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 9 +ATOM 12897 C CG . PHE A 1 10 ? -1.530 0.118 -7.479 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 9 +ATOM 12898 C CD1 . PHE A 1 10 ? -1.276 1.251 -8.245 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 9 +ATOM 12899 C CD2 . PHE A 1 10 ? -2.169 0.273 -6.261 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 9 +ATOM 12900 C CE1 . PHE A 1 10 ? -1.645 2.505 -7.800 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 9 +ATOM 12901 C CE2 . PHE A 1 10 ? -2.543 1.527 -5.813 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 9 +ATOM 12902 C CZ . PHE A 1 10 ? -2.281 2.642 -6.583 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 9 +ATOM 12903 H H . PHE A 1 10 ? 1.313 -0.821 -9.405 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 9 +ATOM 12904 H HA . PHE A 1 10 ? 0.545 -1.679 -6.699 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 9 +ATOM 12905 H HB2 . PHE A 1 10 ? -1.349 -1.282 -9.032 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 9 +ATOM 12906 H HB3 . PHE A 1 10 ? -1.778 -1.979 -7.484 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 9 +ATOM 12907 H HD1 . PHE A 1 10 ? -0.780 1.143 -9.198 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 9 +ATOM 12908 H HD2 . PHE A 1 10 ? -2.371 -0.597 -5.655 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 9 +ATOM 12909 H HE1 . PHE A 1 10 ? -1.439 3.375 -8.404 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 9 +ATOM 12910 H HE2 . PHE A 1 10 ? -3.042 1.634 -4.861 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 9 +ATOM 12911 H HZ . PHE A 1 10 ? -2.574 3.621 -6.234 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 9 +ATOM 12912 N N . ASP A 1 11 ? 0.583 -4.042 -7.484 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 9 +ATOM 12913 C CA . ASP A 1 11 ? 0.606 -5.414 -7.949 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 9 +ATOM 12914 C C . ASP A 1 11 ? -0.784 -5.760 -8.448 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 9 +ATOM 12915 O O . ASP A 1 11 ? -1.764 -5.158 -8.002 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 9 +ATOM 12916 C CB . ASP A 1 11 ? 0.999 -6.378 -6.827 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 9 +ATOM 12917 C CG . ASP A 1 11 ? 1.032 -7.816 -7.296 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 9 +ATOM 12918 O OD1 . ASP A 1 11 ? 2.064 -8.270 -7.814 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 9 +ATOM 12919 O OD2 . ASP A 1 11 ? 0.020 -8.509 -7.184 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 9 +ATOM 12920 H H . ASP A 1 11 ? 0.636 -3.860 -6.519 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 9 +ATOM 12921 H HA . ASP A 1 11 ? 1.309 -5.490 -8.765 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 9 +ATOM 12922 H HB2 . ASP A 1 11 ? 1.977 -6.113 -6.455 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 9 +ATOM 12923 H HB3 . ASP A 1 11 ? 0.279 -6.297 -6.025 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 9 +ATOM 12924 N N . GLU A 1 12 ? -0.877 -6.694 -9.364 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 9 +ATOM 12925 C CA . GLU A 1 12 ? -2.153 -7.116 -9.906 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 9 +ATOM 12926 C C . GLU A 1 12 ? -3.118 -7.604 -8.809 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 9 +ATOM 12927 O O . GLU A 1 12 ? -4.316 -7.425 -8.932 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 9 +ATOM 12928 C CB . GLU A 1 12 ? -1.971 -8.198 -10.948 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 9 +ATOM 12929 C CG . GLU A 1 12 ? -1.305 -9.442 -10.419 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 9 +ATOM 12930 C CD . GLU A 1 12 ? -1.336 -10.542 -11.405 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 9 +ATOM 12931 O OE1 . GLU A 1 12 ? -2.324 -11.303 -11.410 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 9 +ATOM 12932 O OE2 . GLU A 1 12 ? -0.393 -10.657 -12.206 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 9 +ATOM 12933 H H . GLU A 1 12 ? -0.051 -7.109 -9.693 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 9 +ATOM 12934 H HA . GLU A 1 12 ? -2.596 -6.256 -10.383 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 9 +ATOM 12935 H HB2 . GLU A 1 12 ? -2.941 -8.475 -11.334 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 9 +ATOM 12936 H HB3 . GLU A 1 12 ? -1.369 -7.810 -11.755 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 9 +ATOM 12937 H HG2 . GLU A 1 12 ? -0.277 -9.218 -10.179 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 9 +ATOM 12938 H HG3 . GLU A 1 12 ? -1.823 -9.760 -9.525 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 9 +ATOM 12939 N N . ARG A 1 13 ? -2.590 -8.207 -7.742 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 9 +ATOM 12940 C CA . ARG A 1 13 ? -3.422 -8.663 -6.640 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 9 +ATOM 12941 C C . ARG A 1 13 ? -3.992 -7.481 -5.921 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 9 +ATOM 12942 O O . ARG A 1 13 ? -5.178 -7.447 -5.596 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 9 +ATOM 12943 C CB . ARG A 1 13 ? -2.642 -9.520 -5.657 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 9 +ATOM 12944 C CG . ARG A 1 13 ? -2.187 -10.855 -6.207 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 9 +ATOM 12945 C CD . ARG A 1 13 ? -1.457 -11.649 -5.141 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 9 +ATOM 12946 N NE . ARG A 1 13 ? -2.277 -11.801 -3.929 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 9 +ATOM 12947 C CZ . ARG A 1 13 ? -2.330 -12.888 -3.151 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 9 +ATOM 12948 N NH1 . ARG A 1 13 ? -1.632 -13.987 -3.461 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 9 +ATOM 12949 N NH2 . ARG A 1 13 ? -3.110 -12.873 -2.087 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 9 +ATOM 12950 H H . ARG A 1 13 ? -1.609 -8.335 -7.677 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 9 +ATOM 12951 H HA . ARG A 1 13 ? -4.233 -9.244 -7.053 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 9 +ATOM 12952 H HB2 . ARG A 1 13 ? -1.767 -8.972 -5.342 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 9 +ATOM 12953 H HB3 . ARG A 1 13 ? -3.272 -9.702 -4.799 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 9 +ATOM 12954 H HG2 . ARG A 1 13 ? -3.052 -11.415 -6.532 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 9 +ATOM 12955 H HG3 . ARG A 1 13 ? -1.523 -10.688 -7.042 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 9 +ATOM 12956 H HD2 . ARG A 1 13 ? -1.221 -12.625 -5.533 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 9 +ATOM 12957 H HD3 . ARG A 1 13 ? -0.547 -11.129 -4.880 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 9 +ATOM 12958 H HE . ARG A 1 13 ? -2.808 -11.010 -3.682 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 9 +ATOM 12959 H HH11 . ARG A 1 13 ? -1.052 -14.044 -4.277 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 9 +ATOM 12960 H HH12 . ARG A 1 13 ? -1.647 -14.810 -2.884 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 9 +ATOM 12961 H HH21 . ARG A 1 13 ? -3.665 -12.071 -1.856 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 9 +ATOM 12962 H HH22 . ARG A 1 13 ? -3.183 -13.639 -1.429 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 9 +ATOM 12963 N N . ALA A 1 14 ? -3.150 -6.487 -5.726 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 9 +ATOM 12964 C CA . ALA A 1 14 ? -3.551 -5.263 -5.089 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 9 +ATOM 12965 C C . ALA A 1 14 ? -4.573 -4.550 -5.949 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 9 +ATOM 12966 O O . ALA A 1 14 ? -5.481 -3.944 -5.437 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 9 +ATOM 12967 C CB . ALA A 1 14 ? -2.349 -4.370 -4.828 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 9 +ATOM 12968 H H . ALA A 1 14 ? -2.222 -6.588 -6.027 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 9 +ATOM 12969 H HA . ALA A 1 14 ? -4.008 -5.519 -4.144 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 9 +ATOM 12970 H HB1 . ALA A 1 14 ? -1.889 -4.103 -5.767 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 9 +ATOM 12971 H HB2 . ALA A 1 14 ? -1.635 -4.897 -4.211 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 9 +ATOM 12972 H HB3 . ALA A 1 14 ? -2.672 -3.475 -4.318 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 9 +ATOM 12973 N N . LEU A 1 15 ? -4.445 -4.685 -7.265 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 9 +ATOM 12974 C CA . LEU A 1 15 ? -5.372 -4.077 -8.193 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 9 +ATOM 12975 C C . LEU A 1 15 ? -6.704 -4.754 -8.120 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 9 +ATOM 12976 O O . LEU A 1 15 ? -7.734 -4.106 -8.169 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 9 +ATOM 12977 C CB . LEU A 1 15 ? -4.838 -4.118 -9.613 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 9 +ATOM 12978 C CG . LEU A 1 15 ? -3.717 -3.143 -9.941 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 9 +ATOM 12979 C CD1 . LEU A 1 15 ? -3.194 -3.412 -11.335 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 9 +ATOM 12980 C CD2 . LEU A 1 15 ? -4.229 -1.705 -9.842 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 9 +ATOM 12981 H H . LEU A 1 15 ? -3.708 -5.229 -7.623 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 9 +ATOM 12982 H HA . LEU A 1 15 ? -5.497 -3.047 -7.898 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 9 +ATOM 12983 H HB2 . LEU A 1 15 ? -4.481 -5.120 -9.800 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 9 +ATOM 12984 H HB3 . LEU A 1 15 ? -5.663 -3.927 -10.279 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 9 +ATOM 12985 H HG . LEU A 1 15 ? -2.907 -3.264 -9.237 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 9 +ATOM 12986 H HD11 . LEU A 1 15 ? -3.993 -3.280 -12.049 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 9 +ATOM 12987 H HD12 . LEU A 1 15 ? -2.825 -4.425 -11.390 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 9 +ATOM 12988 H HD13 . LEU A 1 15 ? -2.395 -2.722 -11.553 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 9 +ATOM 12989 H HD21 . LEU A 1 15 ? -3.435 -1.018 -10.095 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 9 +ATOM 12990 H HD22 . LEU A 1 15 ? -4.569 -1.499 -8.836 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 9 +ATOM 12991 H HD23 . LEU A 1 15 ? -5.053 -1.566 -10.525 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 9 +ATOM 12992 N N . LYS A 1 16 ? -6.682 -6.056 -7.980 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 9 +ATOM 12993 C CA . LYS A 1 16 ? -7.894 -6.826 -7.849 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 9 +ATOM 12994 C C . LYS A 1 16 ? -8.641 -6.413 -6.591 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 9 +ATOM 12995 O O . LYS A 1 16 ? -9.856 -6.199 -6.625 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 9 +ATOM 12996 C CB . LYS A 1 16 ? -7.567 -8.314 -7.820 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 9 +ATOM 12997 C CG . LYS A 1 16 ? -7.040 -8.849 -9.138 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 9 +ATOM 12998 C CD . LYS A 1 16 ? -6.473 -10.240 -8.976 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 9 +ATOM 12999 C CE . LYS A 1 16 ? -6.099 -10.866 -10.318 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 9 +ATOM 13000 N NZ . LYS A 1 16 ? -4.974 -10.168 -10.992 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 9 +ATOM 13001 H H . LYS A 1 16 ? -5.811 -6.512 -7.969 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 9 +ATOM 13002 H HA . LYS A 1 16 ? -8.506 -6.616 -8.714 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 9 +ATOM 13003 H HB2 . LYS A 1 16 ? -6.817 -8.488 -7.062 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 9 +ATOM 13004 H HB3 . LYS A 1 16 ? -8.461 -8.864 -7.561 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 9 +ATOM 13005 H HG2 . LYS A 1 16 ? -7.844 -8.879 -9.857 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 9 +ATOM 13006 H HG3 . LYS A 1 16 ? -6.261 -8.189 -9.491 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 9 +ATOM 13007 H HD2 . LYS A 1 16 ? -5.575 -10.117 -8.388 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 9 +ATOM 13008 H HD3 . LYS A 1 16 ? -7.183 -10.863 -8.453 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 9 +ATOM 13009 H HE2 . LYS A 1 16 ? -5.823 -11.897 -10.158 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 9 +ATOM 13010 H HE3 . LYS A 1 16 ? -6.968 -10.835 -10.957 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 9 +ATOM 13011 H HZ1 . LYS A 1 16 ? -4.069 -10.328 -10.511 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 9 +ATOM 13012 H HZ2 . LYS A 1 16 ? -5.150 -9.145 -11.049 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 9 +ATOM 13013 H HZ3 . LYS A 1 16 ? -4.873 -10.494 -11.976 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 9 +ATOM 13014 N N . GLU A 1 17 ? -7.916 -6.260 -5.499 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 9 +ATOM 13015 C CA . GLU A 1 17 ? -8.511 -5.819 -4.255 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 9 +ATOM 13016 C C . GLU A 1 17 ? -8.941 -4.337 -4.330 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 9 +ATOM 13017 O O . GLU A 1 17 ? -9.977 -3.959 -3.823 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 9 +ATOM 13018 C CB . GLU A 1 17 ? -7.601 -6.112 -3.059 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 9 +ATOM 13019 C CG . GLU A 1 17 ? -7.230 -7.591 -2.942 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 9 +ATOM 13020 C CD . GLU A 1 17 ? -6.585 -7.959 -1.625 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 9 +ATOM 13021 O OE1 . GLU A 1 17 ? -5.345 -7.797 -1.460 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 9 +ATOM 13022 O OE2 . GLU A 1 17 ? -7.310 -8.464 -0.719 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 9 +ATOM 13023 H H . GLU A 1 17 ? -6.957 -6.471 -5.526 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 9 +ATOM 13024 H HA . GLU A 1 17 ? -9.420 -6.397 -4.151 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 9 +ATOM 13025 H HB2 . GLU A 1 17 ? -6.691 -5.537 -3.164 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 9 +ATOM 13026 H HB3 . GLU A 1 17 ? -8.105 -5.816 -2.151 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 9 +ATOM 13027 H HG2 . GLU A 1 17 ? -8.123 -8.183 -3.059 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 9 +ATOM 13028 H HG3 . GLU A 1 17 ? -6.544 -7.832 -3.740 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 9 +ATOM 13029 N N . TRP A 1 18 ? -8.150 -3.532 -4.998 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 9 +ATOM 13030 C CA . TRP A 1 18 ? -8.429 -2.099 -5.210 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 9 +ATOM 13031 C C . TRP A 1 18 ? -9.731 -1.920 -6.024 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 9 +ATOM 13032 O O . TRP A 1 18 ? -10.557 -1.040 -5.736 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 9 +ATOM 13033 C CB . TRP A 1 18 ? -7.222 -1.489 -5.953 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 9 +ATOM 13034 C CG . TRP A 1 18 ? -7.263 -0.022 -6.232 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 9 +ATOM 13035 C CD1 . TRP A 1 18 ? -7.726 0.588 -7.359 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 9 +ATOM 13036 C CD2 . TRP A 1 18 ? -6.769 1.017 -5.387 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 9 +ATOM 13037 N NE1 . TRP A 1 18 ? -7.575 1.946 -7.254 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 9 +ATOM 13038 C CE2 . TRP A 1 18 ? -6.985 2.235 -6.053 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 9 +ATOM 13039 C CE3 . TRP A 1 18 ? -6.171 1.035 -4.125 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 9 +ATOM 13040 C CZ2 . TRP A 1 18 ? -6.623 3.457 -5.502 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 9 +ATOM 13041 C CZ3 . TRP A 1 18 ? -5.811 2.248 -3.581 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 9 +ATOM 13042 C CH2 . TRP A 1 18 ? -6.037 3.442 -4.267 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 9 +ATOM 13043 H H . TRP A 1 18 ? -7.305 -3.893 -5.352 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 9 +ATOM 13044 H HA . TRP A 1 18 ? -8.545 -1.617 -4.248 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 9 +ATOM 13045 H HB2 . TRP A 1 18 ? -6.332 -1.667 -5.369 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 9 +ATOM 13046 H HB3 . TRP A 1 18 ? -7.118 -2.005 -6.897 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 9 +ATOM 13047 H HD1 . TRP A 1 18 ? -8.156 0.061 -8.200 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 9 +ATOM 13048 H HE1 . TRP A 1 18 ? -7.848 2.598 -7.937 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 9 +ATOM 13049 H HE3 . TRP A 1 18 ? -5.989 0.120 -3.580 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 9 +ATOM 13050 H HZ2 . TRP A 1 18 ? -6.791 4.389 -6.021 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 9 +ATOM 13051 H HZ3 . TRP A 1 18 ? -5.346 2.283 -2.607 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 9 +ATOM 13052 H HH2 . TRP A 1 18 ? -5.737 4.366 -3.796 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 9 +ATOM 13053 N N . ARG A 1 19 ? -9.901 -2.745 -7.041 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 9 +ATOM 13054 C CA . ARG A 1 19 ? -11.107 -2.723 -7.863 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 9 +ATOM 13055 C C . ARG A 1 19 ? -12.284 -3.359 -7.131 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 9 +ATOM 13056 O O . ARG A 1 19 ? -13.440 -3.102 -7.457 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 9 +ATOM 13057 C CB . ARG A 1 19 ? -10.868 -3.396 -9.203 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 9 +ATOM 13058 C CG . ARG A 1 19 ? -9.778 -2.730 -10.015 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 9 +ATOM 13059 C CD . ARG A 1 19 ? -9.500 -3.489 -11.282 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 9 +ATOM 13060 N NE . ARG A 1 19 ? -8.312 -2.988 -11.972 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 9 +ATOM 13061 C CZ . ARG A 1 19 ? -7.549 -3.726 -12.778 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 9 +ATOM 13062 N NH1 . ARG A 1 19 ? -7.916 -4.973 -13.088 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 9 +ATOM 13063 N NH2 . ARG A 1 19 ? -6.439 -3.213 -13.296 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 9 +ATOM 13064 H H . ARG A 1 19 ? -9.177 -3.376 -7.257 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 9 +ATOM 13065 H HA . ARG A 1 19 ? -11.350 -1.683 -8.030 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 9 +ATOM 13066 H HB2 . ARG A 1 19 ? -10.590 -4.424 -9.032 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 9 +ATOM 13067 H HB3 . ARG A 1 19 ? -11.783 -3.369 -9.775 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 9 +ATOM 13068 H HG2 . ARG A 1 19 ? -10.098 -1.731 -10.270 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 9 +ATOM 13069 H HG3 . ARG A 1 19 ? -8.877 -2.686 -9.422 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 9 +ATOM 13070 H HD2 . ARG A 1 19 ? -9.339 -4.526 -11.028 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 9 +ATOM 13071 H HD3 . ARG A 1 19 ? -10.352 -3.400 -11.939 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 9 +ATOM 13072 H HE . ARG A 1 19 ? -8.079 -2.051 -11.775 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 9 +ATOM 13073 H HH11 . ARG A 1 19 ? -8.762 -5.389 -12.739 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 9 +ATOM 13074 H HH12 . ARG A 1 19 ? -7.346 -5.547 -13.680 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 9 +ATOM 13075 H HH21 . ARG A 1 19 ? -6.143 -2.270 -13.113 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 9 +ATOM 13076 H HH22 . ARG A 1 19 ? -5.830 -3.758 -13.880 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 9 +ATOM 13077 N N . LYS A 1 20 ? -11.974 -4.211 -6.172 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 9 +ATOM 13078 C CA . LYS A 1 20 ? -12.968 -4.835 -5.304 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 9 +ATOM 13079 C C . LYS A 1 20 ? -13.568 -3.754 -4.421 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 9 +ATOM 13080 O O . LYS A 1 20 ? -14.796 -3.665 -4.252 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 9 +ATOM 13081 C CB . LYS A 1 20 ? -12.267 -5.869 -4.428 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 9 +ATOM 13082 C CG . LYS A 1 20 ? -13.146 -6.629 -3.471 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 9 +ATOM 13083 C CD . LYS A 1 20 ? -12.286 -7.419 -2.502 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 9 +ATOM 13084 C CE . LYS A 1 20 ? -13.111 -8.345 -1.642 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 9 +ATOM 13085 N NZ . LYS A 1 20 ? -13.741 -9.404 -2.448 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 9 +ATOM 13086 H H . LYS A 1 20 ? -11.029 -4.438 -6.040 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 9 +ATOM 13087 H HA . LYS A 1 20 ? -13.740 -5.315 -5.888 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 9 +ATOM 13088 H HB2 . LYS A 1 20 ? -11.783 -6.588 -5.071 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 9 +ATOM 13089 H HB3 . LYS A 1 20 ? -11.504 -5.361 -3.858 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 9 +ATOM 13090 H HG2 . LYS A 1 20 ? -13.757 -5.927 -2.921 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 9 +ATOM 13091 H HG3 . LYS A 1 20 ? -13.776 -7.310 -4.022 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 9 +ATOM 13092 H HD2 . LYS A 1 20 ? -11.572 -8.005 -3.062 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 9 +ATOM 13093 H HD3 . LYS A 1 20 ? -11.757 -6.724 -1.866 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 9 +ATOM 13094 H HE2 . LYS A 1 20 ? -12.478 -8.796 -0.892 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 9 +ATOM 13095 H HE3 . LYS A 1 20 ? -13.883 -7.759 -1.167 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 9 +ATOM 13096 H HZ1 . LYS A 1 20 ? -14.464 -9.022 -3.090 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 9 +ATOM 13097 H HZ2 . LYS A 1 20 ? -14.190 -10.121 -1.850 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 9 +ATOM 13098 H HZ3 . LYS A 1 20 ? -13.025 -9.882 -3.035 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 9 +ATOM 13099 N N . LEU A 1 21 ? -12.676 -2.936 -3.885 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 9 +ATOM 13100 C CA . LEU A 1 21 ? -13.004 -1.808 -3.033 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 9 +ATOM 13101 C C . LEU A 1 21 ? -13.905 -0.814 -3.711 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 9 +ATOM 13102 O O . LEU A 1 21 ? -13.882 -0.648 -4.942 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 9 +ATOM 13103 C CB . LEU A 1 21 ? -11.731 -1.091 -2.574 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 9 +ATOM 13104 C CG . LEU A 1 21 ? -11.176 -1.460 -1.203 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 9 +ATOM 13105 C CD1 . LEU A 1 21 ? -10.980 -2.952 -1.046 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 9 +ATOM 13106 C CD2 . LEU A 1 21 ? -9.884 -0.721 -0.959 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 9 +ATOM 13107 H H . LEU A 1 21 ? -11.727 -3.108 -4.069 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 9 +ATOM 13108 H HA . LEU A 1 21 ? -13.501 -2.184 -2.152 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 9 +ATOM 13109 H HB2 . LEU A 1 21 ? -10.960 -1.279 -3.306 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 9 +ATOM 13110 H HB3 . LEU A 1 21 ? -11.936 -0.029 -2.577 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 9 +ATOM 13111 H HG . LEU A 1 21 ? -11.880 -1.131 -0.457 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 9 +ATOM 13112 H HD11 . LEU A 1 21 ? -10.288 -3.308 -1.795 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 9 +ATOM 13113 H HD12 . LEU A 1 21 ? -11.941 -3.429 -1.182 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 9 +ATOM 13114 H HD13 . LEU A 1 21 ? -10.603 -3.169 -0.058 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 9 +ATOM 13115 H HD21 . LEU A 1 21 ? -9.498 -0.981 0.015 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 9 +ATOM 13116 H HD22 . LEU A 1 21 ? -10.087 0.340 -0.994 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 9 +ATOM 13117 H HD23 . LEU A 1 21 ? -9.165 -0.983 -1.721 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 9 +ATOM 13118 N N . GLY A 1 22 ? -14.680 -0.151 -2.906 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 9 +ATOM 13119 C CA . GLY A 1 22 ? -15.568 0.866 -3.392 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 9 +ATOM 13120 C C . GLY A 1 22 ? -14.785 2.102 -3.723 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 9 +ATOM 13121 O O . GLY A 1 22 ? -13.733 2.342 -3.096 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 9 +ATOM 13122 H H . GLY A 1 22 ? -14.611 -0.362 -1.949 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 9 +ATOM 13123 H HA2 . GLY A 1 22 ? -16.074 0.506 -4.277 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 9 +ATOM 13124 H HA3 . GLY A 1 22 ? -16.293 1.100 -2.629 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 9 +ATOM 13125 N N . SER A 1 23 ? -15.281 2.894 -4.667 1.00 0.00 ? ? ? ? ? ? 20 SER A N 9 +ATOM 13126 C CA . SER A 1 23 ? -14.584 4.069 -5.163 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 9 +ATOM 13127 C C . SER A 1 23 ? -14.162 4.983 -4.023 1.00 0.00 ? ? ? ? ? ? 20 SER A C 9 +ATOM 13128 O O . SER A 1 23 ? -13.004 5.265 -3.872 1.00 0.00 ? ? ? ? ? ? 20 SER A O 9 +ATOM 13129 C CB . SER A 1 23 ? -15.448 4.838 -6.181 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 9 +ATOM 13130 O OG . SER A 1 23 ? -14.726 5.932 -6.755 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 9 +ATOM 13131 H H . SER A 1 23 ? -16.165 2.683 -5.041 1.00 0.00 ? ? ? ? ? ? 20 SER A H 9 +ATOM 13132 H HA . SER A 1 23 ? -13.693 3.723 -5.666 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 9 +ATOM 13133 H HB2 . SER A 1 23 ? -15.745 4.167 -6.974 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 9 +ATOM 13134 H HB3 . SER A 1 23 ? -16.331 5.218 -5.689 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 9 +ATOM 13135 H HG . SER A 1 23 ? -14.682 6.684 -6.136 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 9 +ATOM 13136 N N . THR A 1 24 ? -15.100 5.345 -3.192 1.00 0.00 ? ? ? ? ? ? 21 THR A N 9 +ATOM 13137 C CA . THR A 1 24 ? -14.884 6.271 -2.091 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 9 +ATOM 13138 C C . THR A 1 24 ? -13.780 5.769 -1.135 1.00 0.00 ? ? ? ? ? ? 21 THR A C 9 +ATOM 13139 O O . THR A 1 24 ? -12.938 6.552 -0.671 1.00 0.00 ? ? ? ? ? ? 21 THR A O 9 +ATOM 13140 C CB . THR A 1 24 ? -16.202 6.460 -1.314 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 9 +ATOM 13141 O OG1 . THR A 1 24 ? -17.258 6.746 -2.254 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 9 +ATOM 13142 C CG2 . THR A 1 24 ? -16.097 7.607 -0.308 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 9 +ATOM 13143 H H . THR A 1 24 ? -15.992 4.970 -3.330 1.00 0.00 ? ? ? ? ? ? 21 THR A H 9 +ATOM 13144 H HA . THR A 1 24 ? -14.591 7.226 -2.502 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 9 +ATOM 13145 H HB . THR A 1 24 ? -16.432 5.541 -0.794 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 9 +ATOM 13146 H HG1 . THR A 1 24 ? -17.012 7.529 -2.769 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 9 +ATOM 13147 H HG21 . THR A 1 24 ? -17.036 7.718 0.214 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 9 +ATOM 13148 H HG22 . THR A 1 24 ? -15.856 8.524 -0.826 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 9 +ATOM 13149 H HG23 . THR A 1 24 ? -15.315 7.387 0.404 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 9 +ATOM 13150 N N . VAL A 1 25 ? -13.747 4.463 -0.907 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 9 +ATOM 13151 C CA . VAL A 1 25 ? -12.787 3.877 0.005 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 9 +ATOM 13152 C C . VAL A 1 25 ? -11.396 3.907 -0.615 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 9 +ATOM 13153 O O . VAL A 1 25 ? -10.437 4.376 -0.003 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 9 +ATOM 13154 C CB . VAL A 1 25 ? -13.181 2.412 0.349 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 9 +ATOM 13155 C CG1 . VAL A 1 25 ? -12.154 1.763 1.255 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 9 +ATOM 13156 C CG2 . VAL A 1 25 ? -14.561 2.364 0.993 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 9 +ATOM 13157 H H . VAL A 1 25 ? -14.357 3.871 -1.394 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 9 +ATOM 13158 H HA . VAL A 1 25 ? -12.777 4.459 0.914 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 9 +ATOM 13159 H HB . VAL A 1 25 ? -13.220 1.849 -0.573 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 9 +ATOM 13160 H HG11 . VAL A 1 25 ? -12.092 2.316 2.180 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 9 +ATOM 13161 H HG12 . VAL A 1 25 ? -11.191 1.768 0.767 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 9 +ATOM 13162 H HG13 . VAL A 1 25 ? -12.449 0.745 1.464 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 9 +ATOM 13163 H HG21 . VAL A 1 25 ? -14.816 1.342 1.227 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 9 +ATOM 13164 H HG22 . VAL A 1 25 ? -15.290 2.772 0.307 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 9 +ATOM 13165 H HG23 . VAL A 1 25 ? -14.556 2.951 1.899 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 9 +ATOM 13166 N N . ARG A 1 26 ? -11.309 3.479 -1.850 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 9 +ATOM 13167 C CA . ARG A 1 26 ? -10.043 3.469 -2.544 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 9 +ATOM 13168 C C . ARG A 1 26 ? -9.542 4.880 -2.835 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 9 +ATOM 13169 O O . ARG A 1 26 ? -8.353 5.118 -2.831 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 9 +ATOM 13170 C CB . ARG A 1 26 ? -10.055 2.602 -3.787 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 9 +ATOM 13171 C CG . ARG A 1 26 ? -11.115 2.952 -4.794 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 9 +ATOM 13172 C CD . ARG A 1 26 ? -10.809 2.293 -6.102 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 9 +ATOM 13173 N NE . ARG A 1 26 ? -11.819 2.576 -7.112 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 9 +ATOM 13174 C CZ . ARG A 1 26 ? -12.550 1.653 -7.733 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 9 +ATOM 13175 N NH1 . ARG A 1 26 ? -12.443 0.369 -7.401 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 9 +ATOM 13176 N NH2 . ARG A 1 26 ? -13.406 2.024 -8.675 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 9 +ATOM 13177 H H . ARG A 1 26 ? -12.122 3.158 -2.301 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 9 +ATOM 13178 H HA . ARG A 1 26 ? -9.343 3.046 -1.838 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 9 +ATOM 13179 H HB2 . ARG A 1 26 ? -9.092 2.662 -4.271 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 9 +ATOM 13180 H HB3 . ARG A 1 26 ? -10.226 1.582 -3.471 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 9 +ATOM 13181 H HG2 . ARG A 1 26 ? -12.041 2.541 -4.415 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 9 +ATOM 13182 H HG3 . ARG A 1 26 ? -11.242 4.020 -4.905 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 9 +ATOM 13183 H HD2 . ARG A 1 26 ? -9.856 2.684 -6.427 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 9 +ATOM 13184 H HD3 . ARG A 1 26 ? -10.731 1.227 -5.948 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 9 +ATOM 13185 H HE . ARG A 1 26 ? -11.921 3.527 -7.348 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 9 +ATOM 13186 H HH11 . ARG A 1 26 ? -11.821 0.033 -6.684 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 9 +ATOM 13187 H HH12 . ARG A 1 26 ? -13.002 -0.322 -7.862 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 9 +ATOM 13188 H HH21 . ARG A 1 26 ? -13.506 2.990 -8.924 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 9 +ATOM 13189 H HH22 . ARG A 1 26 ? -13.976 1.365 -9.173 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 9 +ATOM 13190 N N . GLU A 1 27 ? -10.457 5.794 -3.107 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 9 +ATOM 13191 C CA . GLU A 1 27 ? -10.128 7.194 -3.350 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 9 +ATOM 13192 C C . GLU A 1 27 ? -9.380 7.800 -2.185 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 9 +ATOM 13193 O O . GLU A 1 27 ? -8.350 8.447 -2.371 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 9 +ATOM 13194 C CB . GLU A 1 27 ? -11.381 8.005 -3.647 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 9 +ATOM 13195 C CG . GLU A 1 27 ? -11.902 7.825 -5.061 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 9 +ATOM 13196 C CD . GLU A 1 27 ? -13.085 8.693 -5.351 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 9 +ATOM 13197 O OE1 . GLU A 1 27 ? -12.897 9.912 -5.563 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 9 +ATOM 13198 O OE2 . GLU A 1 27 ? -14.226 8.195 -5.381 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 9 +ATOM 13199 H H . GLU A 1 27 ? -11.401 5.523 -3.161 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 9 +ATOM 13200 H HA . GLU A 1 27 ? -9.486 7.227 -4.218 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 9 +ATOM 13201 H HB2 . GLU A 1 27 ? -12.146 7.645 -2.973 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 9 +ATOM 13202 H HB3 . GLU A 1 27 ? -11.221 9.050 -3.438 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 9 +ATOM 13203 H HG2 . GLU A 1 27 ? -11.118 8.069 -5.761 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 9 +ATOM 13204 H HG3 . GLU A 1 27 ? -12.190 6.792 -5.194 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 9 +ATOM 13205 N N . GLN A 1 28 ? -9.865 7.551 -0.987 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 9 +ATOM 13206 C CA . GLN A 1 28 ? -9.224 8.058 0.215 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 9 +ATOM 13207 C C . GLN A 1 28 ? -7.856 7.420 0.404 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 9 +ATOM 13208 O O . GLN A 1 28 ? -6.910 8.076 0.843 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 9 +ATOM 13209 C CB . GLN A 1 28 ? -10.123 7.841 1.414 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 9 +ATOM 13210 C CG . GLN A 1 28 ? -11.365 8.712 1.379 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 9 +ATOM 13211 C CD . GLN A 1 28 ? -12.397 8.292 2.383 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 9 +ATOM 13212 O OE1 . GLN A 1 28 ? -12.412 8.742 3.526 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 9 +ATOM 13213 N NE2 . GLN A 1 28 ? -13.268 7.432 1.958 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 9 +ATOM 13214 H H . GLN A 1 28 ? -10.678 7.004 -0.900 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 9 +ATOM 13215 H HA . GLN A 1 28 ? -9.080 9.119 0.072 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 9 +ATOM 13216 H HB2 . GLN A 1 28 ? -10.432 6.807 1.421 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 9 +ATOM 13217 H HB3 . GLN A 1 28 ? -9.579 8.054 2.322 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 9 +ATOM 13218 H HG2 . GLN A 1 28 ? -11.080 9.733 1.586 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 9 +ATOM 13219 H HG3 . GLN A 1 28 ? -11.795 8.653 0.391 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 9 +ATOM 13220 H HE21 . GLN A 1 28 ? -13.170 7.138 1.022 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 9 +ATOM 13221 H HE22 . GLN A 1 28 ? -13.974 7.121 2.566 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 9 +ATOM 13222 N N . LEU A 1 29 ? -7.750 6.159 0.031 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 9 +ATOM 13223 C CA . LEU A 1 29 ? -6.484 5.450 0.080 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 9 +ATOM 13224 C C . LEU A 1 29 ? -5.504 6.027 -0.937 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 9 +ATOM 13225 O O . LEU A 1 29 ? -4.334 6.230 -0.626 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 9 +ATOM 13226 C CB . LEU A 1 29 ? -6.686 3.959 -0.167 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 9 +ATOM 13227 C CG . LEU A 1 29 ? -7.510 3.201 0.880 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 9 +ATOM 13228 C CD1 . LEU A 1 29 ? -7.671 1.755 0.474 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 9 +ATOM 13229 C CD2 . LEU A 1 29 ? -6.861 3.289 2.256 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 9 +ATOM 13230 H H . LEU A 1 29 ? -8.553 5.687 -0.280 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 9 +ATOM 13231 H HA . LEU A 1 29 ? -6.068 5.590 1.066 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 9 +ATOM 13232 H HB2 . LEU A 1 29 ? -7.174 3.865 -1.127 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 9 +ATOM 13233 H HB3 . LEU A 1 29 ? -5.711 3.501 -0.242 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 9 +ATOM 13234 H HG . LEU A 1 29 ? -8.497 3.634 0.940 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 9 +ATOM 13235 H HD11 . LEU A 1 29 ? -8.161 1.699 -0.486 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 9 +ATOM 13236 H HD12 . LEU A 1 29 ? -8.265 1.239 1.212 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 9 +ATOM 13237 H HD13 . LEU A 1 29 ? -6.699 1.289 0.407 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 9 +ATOM 13238 H HD21 . LEU A 1 29 ? -7.437 2.706 2.959 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 9 +ATOM 13239 H HD22 . LEU A 1 29 ? -6.841 4.319 2.583 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 9 +ATOM 13240 H HD23 . LEU A 1 29 ? -5.853 2.904 2.208 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 9 +ATOM 13241 N N . LYS A 1 30 ? -5.991 6.300 -2.147 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 9 +ATOM 13242 C CA . LYS A 1 30 ? -5.173 6.900 -3.197 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 9 +ATOM 13243 C C . LYS A 1 30 ? -4.632 8.247 -2.746 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 9 +ATOM 13244 O O . LYS A 1 30 ? -3.457 8.547 -2.927 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 9 +ATOM 13245 C CB . LYS A 1 30 ? -5.985 7.117 -4.470 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 9 +ATOM 13246 C CG . LYS A 1 30 ? -5.156 7.704 -5.607 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 9 +ATOM 13247 C CD . LYS A 1 30 ? -6.006 8.184 -6.770 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 9 +ATOM 13248 C CE . LYS A 1 30 ? -6.819 9.424 -6.396 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 9 +ATOM 13249 N NZ . LYS A 1 30 ? -7.619 9.926 -7.537 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 9 +ATOM 13250 H H . LYS A 1 30 ? -6.924 6.049 -2.343 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 9 +ATOM 13251 H HA . LYS A 1 30 ? -4.350 6.235 -3.415 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 9 +ATOM 13252 H HB2 . LYS A 1 30 ? -6.397 6.170 -4.789 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 9 +ATOM 13253 H HB3 . LYS A 1 30 ? -6.796 7.790 -4.240 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 9 +ATOM 13254 H HG2 . LYS A 1 30 ? -4.615 8.548 -5.207 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 9 +ATOM 13255 H HG3 . LYS A 1 30 ? -4.456 6.956 -5.951 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 9 +ATOM 13256 H HD2 . LYS A 1 30 ? -5.354 8.429 -7.596 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 9 +ATOM 13257 H HD3 . LYS A 1 30 ? -6.680 7.390 -7.057 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 9 +ATOM 13258 H HE2 . LYS A 1 30 ? -7.485 9.172 -5.584 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 9 +ATOM 13259 H HE3 . LYS A 1 30 ? -6.133 10.191 -6.066 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 9 +ATOM 13260 H HZ1 . LYS A 1 30 ? -7.005 10.184 -8.336 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 9 +ATOM 13261 H HZ2 . LYS A 1 30 ? -8.178 10.761 -7.272 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 9 +ATOM 13262 H HZ3 . LYS A 1 30 ? -8.276 9.191 -7.867 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 9 +ATOM 13263 N N . LYS A 1 31 ? -5.495 9.044 -2.138 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 9 +ATOM 13264 C CA . LYS A 1 31 ? -5.108 10.355 -1.639 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 9 +ATOM 13265 C C . LYS A 1 31 ? -4.052 10.224 -0.568 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 9 +ATOM 13266 O O . LYS A 1 31 ? -3.144 11.061 -0.464 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 9 +ATOM 13267 C CB . LYS A 1 31 ? -6.309 11.129 -1.114 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 9 +ATOM 13268 C CG . LYS A 1 31 ? -7.353 11.400 -2.166 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 9 +ATOM 13269 C CD . LYS A 1 31 ? -8.447 12.296 -1.644 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 9 +ATOM 13270 C CE . LYS A 1 31 ? -9.477 12.556 -2.715 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 9 +ATOM 13271 N NZ . LYS A 1 31 ? -10.411 13.625 -2.332 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 9 +ATOM 13272 H H . LYS A 1 31 ? -6.423 8.734 -2.047 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 9 +ATOM 13273 H HA . LYS A 1 31 ? -4.678 10.896 -2.469 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 9 +ATOM 13274 H HB2 . LYS A 1 31 ? -6.768 10.561 -0.320 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 9 +ATOM 13275 H HB3 . LYS A 1 31 ? -5.970 12.076 -0.721 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 9 +ATOM 13276 H HG2 . LYS A 1 31 ? -6.885 11.877 -3.015 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 9 +ATOM 13277 H HG3 . LYS A 1 31 ? -7.787 10.461 -2.477 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 9 +ATOM 13278 H HD2 . LYS A 1 31 ? -8.925 11.811 -0.805 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 9 +ATOM 13279 H HD3 . LYS A 1 31 ? -8.017 13.234 -1.324 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 9 +ATOM 13280 H HE2 . LYS A 1 31 ? -8.973 12.821 -3.632 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 9 +ATOM 13281 H HE3 . LYS A 1 31 ? -10.030 11.641 -2.869 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 9 +ATOM 13282 H HZ1 . LYS A 1 31 ? -10.938 13.387 -1.469 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 9 +ATOM 13283 H HZ2 . LYS A 1 31 ? -11.103 13.794 -3.090 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 9 +ATOM 13284 H HZ3 . LYS A 1 31 ? -9.895 14.513 -2.162 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 9 +ATOM 13285 N N . LYS A 1 32 ? -4.165 9.173 0.211 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 9 +ATOM 13286 C CA . LYS A 1 32 ? -3.187 8.877 1.227 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 9 +ATOM 13287 C C . LYS A 1 32 ? -1.845 8.536 0.632 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 9 +ATOM 13288 O O . LYS A 1 32 ? -0.814 8.950 1.151 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 9 +ATOM 13289 C CB . LYS A 1 32 ? -3.657 7.799 2.185 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 9 +ATOM 13290 C CG . LYS A 1 32 ? -4.083 8.329 3.539 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 9 +ATOM 13291 C CD . LYS A 1 32 ? -5.242 9.295 3.451 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 9 +ATOM 13292 C CE . LYS A 1 32 ? -5.553 9.869 4.812 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 9 +ATOM 13293 N NZ . LYS A 1 32 ? -4.427 10.680 5.349 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 9 +ATOM 13294 H H . LYS A 1 32 ? -4.945 8.587 0.093 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 9 +ATOM 13295 H HA . LYS A 1 32 ? -3.053 9.790 1.777 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 9 +ATOM 13296 H HB2 . LYS A 1 32 ? -4.496 7.285 1.741 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 9 +ATOM 13297 H HB3 . LYS A 1 32 ? -2.848 7.098 2.323 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 9 +ATOM 13298 H HG2 . LYS A 1 32 ? -4.386 7.500 4.162 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 9 +ATOM 13299 H HG3 . LYS A 1 32 ? -3.242 8.831 3.994 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 9 +ATOM 13300 H HD2 . LYS A 1 32 ? -4.985 10.100 2.778 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 9 +ATOM 13301 H HD3 . LYS A 1 32 ? -6.112 8.774 3.080 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 9 +ATOM 13302 H HE2 . LYS A 1 32 ? -6.451 10.467 4.769 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 9 +ATOM 13303 H HE3 . LYS A 1 32 ? -5.702 9.019 5.462 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 9 +ATOM 13304 H HZ1 . LYS A 1 32 ? -4.107 11.381 4.644 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 9 +ATOM 13305 H HZ2 . LYS A 1 32 ? -3.621 10.087 5.629 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 9 +ATOM 13306 H HZ3 . LYS A 1 32 ? -4.745 11.204 6.188 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 9 +ATOM 13307 N N . LEU A 1 33 ? -1.861 7.801 -0.452 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 9 +ATOM 13308 C CA . LEU A 1 33 ? -0.662 7.475 -1.175 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 9 +ATOM 13309 C C . LEU A 1 33 ? -0.011 8.751 -1.682 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 9 +ATOM 13310 O O . LEU A 1 33 ? 1.183 8.951 -1.525 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 9 +ATOM 13311 C CB . LEU A 1 33 ? -0.998 6.549 -2.340 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 9 +ATOM 13312 C CG . LEU A 1 33 ? -1.672 5.234 -1.954 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 9 +ATOM 13313 C CD1 . LEU A 1 33 ? -2.031 4.420 -3.182 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 9 +ATOM 13314 C CD2 . LEU A 1 33 ? -0.783 4.441 -1.013 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 9 +ATOM 13315 H H . LEU A 1 33 ? -2.706 7.423 -0.775 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 9 +ATOM 13316 H HA . LEU A 1 33 ? 0.012 6.967 -0.503 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 9 +ATOM 13317 H HB2 . LEU A 1 33 ? -1.653 7.085 -3.010 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 9 +ATOM 13318 H HB3 . LEU A 1 33 ? -0.082 6.322 -2.864 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 9 +ATOM 13319 H HG . LEU A 1 33 ? -2.592 5.457 -1.435 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 9 +ATOM 13320 H HD11 . LEU A 1 33 ? -2.685 4.997 -3.819 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 9 +ATOM 13321 H HD12 . LEU A 1 33 ? -2.535 3.514 -2.882 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 9 +ATOM 13322 H HD13 . LEU A 1 33 ? -1.136 4.164 -3.730 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 9 +ATOM 13323 H HD21 . LEU A 1 33 ? 0.175 4.263 -1.478 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 9 +ATOM 13324 H HD22 . LEU A 1 33 ? -1.256 3.499 -0.786 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 9 +ATOM 13325 H HD23 . LEU A 1 33 ? -0.647 5.007 -0.101 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 9 +ATOM 13326 N N . VAL A 1 34 ? -0.827 9.632 -2.228 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 9 +ATOM 13327 C CA . VAL A 1 34 ? -0.358 10.891 -2.777 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 9 +ATOM 13328 C C . VAL A 1 34 ? 0.307 11.776 -1.699 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 9 +ATOM 13329 O O . VAL A 1 34 ? 1.398 12.316 -1.921 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 9 +ATOM 13330 C CB . VAL A 1 34 ? -1.525 11.655 -3.473 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 9 +ATOM 13331 C CG1 . VAL A 1 34 ? -1.076 13.008 -3.998 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 9 +ATOM 13332 C CG2 . VAL A 1 34 ? -2.083 10.818 -4.606 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 9 +ATOM 13333 H H . VAL A 1 34 ? -1.784 9.409 -2.272 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 9 +ATOM 13334 H HA . VAL A 1 34 ? 0.387 10.658 -3.526 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 9 +ATOM 13335 H HB . VAL A 1 34 ? -2.324 11.813 -2.762 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 9 +ATOM 13336 H HG11 . VAL A 1 34 ? -0.714 13.605 -3.173 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 9 +ATOM 13337 H HG12 . VAL A 1 34 ? -1.912 13.507 -4.464 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 9 +ATOM 13338 H HG13 . VAL A 1 34 ? -0.284 12.871 -4.719 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 9 +ATOM 13339 H HG21 . VAL A 1 34 ? -1.315 10.630 -5.342 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 9 +ATOM 13340 H HG22 . VAL A 1 34 ? -2.914 11.338 -5.058 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 9 +ATOM 13341 H HG23 . VAL A 1 34 ? -2.429 9.881 -4.194 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 9 +ATOM 13342 N N . GLU A 1 35 ? -0.319 11.890 -0.536 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 9 +ATOM 13343 C CA . GLU A 1 35 ? 0.260 12.682 0.544 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 9 +ATOM 13344 C C . GLU A 1 35 ? 1.522 12.013 1.131 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 9 +ATOM 13345 O O . GLU A 1 35 ? 2.562 12.668 1.320 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 9 +ATOM 13346 C CB . GLU A 1 35 ? -0.777 13.029 1.642 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 9 +ATOM 13347 C CG . GLU A 1 35 ? -1.399 11.830 2.327 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 9 +ATOM 13348 C CD . GLU A 1 35 ? -2.423 12.186 3.385 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 9 +ATOM 13349 O OE1 . GLU A 1 35 ? -2.049 12.379 4.560 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 9 +ATOM 13350 O OE2 . GLU A 1 35 ? -3.629 12.232 3.083 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 9 +ATOM 13351 H H . GLU A 1 35 ? -1.185 11.442 -0.415 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 9 +ATOM 13352 H HA . GLU A 1 35 ? 0.587 13.599 0.077 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 9 +ATOM 13353 H HB2 . GLU A 1 35 ? -0.303 13.641 2.394 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 9 +ATOM 13354 H HB3 . GLU A 1 35 ? -1.569 13.601 1.181 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 9 +ATOM 13355 H HG2 . GLU A 1 35 ? -1.880 11.245 1.559 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 9 +ATOM 13356 H HG3 . GLU A 1 35 ? -0.611 11.244 2.777 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 9 +ATOM 13357 N N . VAL A 1 36 ? 1.457 10.705 1.320 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 9 +ATOM 13358 C CA . VAL A 1 36 ? 2.515 9.954 1.973 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 9 +ATOM 13359 C C . VAL A 1 36 ? 3.835 10.017 1.194 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 9 +ATOM 13360 O O . VAL A 1 36 ? 4.885 9.991 1.783 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 9 +ATOM 13361 C CB . VAL A 1 36 ? 2.116 8.484 2.308 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 9 +ATOM 13362 C CG1 . VAL A 1 36 ? 2.224 7.548 1.113 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 9 +ATOM 13363 C CG2 . VAL A 1 36 ? 2.891 7.971 3.511 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 9 +ATOM 13364 H H . VAL A 1 36 ? 0.664 10.210 1.015 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 9 +ATOM 13365 H HA . VAL A 1 36 ? 2.696 10.474 2.903 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 9 +ATOM 13366 H HB . VAL A 1 36 ? 1.071 8.507 2.579 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 9 +ATOM 13367 H HG11 . VAL A 1 36 ? 1.901 6.556 1.391 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 9 +ATOM 13368 H HG12 . VAL A 1 36 ? 3.253 7.509 0.787 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 9 +ATOM 13369 H HG13 . VAL A 1 36 ? 1.608 7.923 0.309 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 9 +ATOM 13370 H HG21 . VAL A 1 36 ? 3.945 8.058 3.308 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 9 +ATOM 13371 H HG22 . VAL A 1 36 ? 2.642 6.936 3.689 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 9 +ATOM 13372 H HG23 . VAL A 1 36 ? 2.640 8.560 4.380 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 9 +ATOM 13373 N N . LEU A 1 37 ? 3.748 10.155 -0.130 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 9 +ATOM 13374 C CA . LEU A 1 37 ? 4.919 10.162 -1.034 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 9 +ATOM 13375 C C . LEU A 1 37 ? 5.998 11.171 -0.648 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 9 +ATOM 13376 O O . LEU A 1 37 ? 7.162 10.966 -0.991 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 9 +ATOM 13377 C CB . LEU A 1 37 ? 4.490 10.456 -2.466 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 9 +ATOM 13378 C CG . LEU A 1 37 ? 3.603 9.433 -3.138 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 9 +ATOM 13379 C CD1 . LEU A 1 37 ? 3.202 9.928 -4.513 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 9 +ATOM 13380 C CD2 . LEU A 1 37 ? 4.309 8.086 -3.227 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 9 +ATOM 13381 H H . LEU A 1 37 ? 2.851 10.221 -0.525 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 9 +ATOM 13382 H HA . LEU A 1 37 ? 5.362 9.179 -1.022 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 9 +ATOM 13383 H HB2 . LEU A 1 37 ? 3.956 11.394 -2.457 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 9 +ATOM 13384 H HB3 . LEU A 1 37 ? 5.377 10.582 -3.070 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 9 +ATOM 13385 H HG . LEU A 1 37 ? 2.701 9.310 -2.555 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 9 +ATOM 13386 H HD11 . LEU A 1 37 ? 4.085 10.062 -5.121 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 9 +ATOM 13387 H HD12 . LEU A 1 37 ? 2.687 10.873 -4.419 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 9 +ATOM 13388 H HD13 . LEU A 1 37 ? 2.549 9.209 -4.983 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 9 +ATOM 13389 H HD21 . LEU A 1 37 ? 4.594 7.753 -2.239 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 9 +ATOM 13390 H HD22 . LEU A 1 37 ? 5.186 8.180 -3.848 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 9 +ATOM 13391 H HD23 . LEU A 1 37 ? 3.639 7.361 -3.663 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 9 +ATOM 13392 N N . GLU A 1 38 ? 5.632 12.249 0.049 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 9 +ATOM 13393 C CA . GLU A 1 38 ? 6.636 13.243 0.448 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 9 +ATOM 13394 C C . GLU A 1 38 ? 7.630 12.646 1.462 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 9 +ATOM 13395 O O . GLU A 1 38 ? 8.793 13.056 1.544 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 9 +ATOM 13396 C CB . GLU A 1 38 ? 5.977 14.499 1.015 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 9 +ATOM 13397 C CG . GLU A 1 38 ? 5.129 14.252 2.244 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 9 +ATOM 13398 C CD . GLU A 1 38 ? 4.442 15.486 2.718 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 9 +ATOM 13399 O OE1 . GLU A 1 38 ? 3.310 15.766 2.262 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 9 +ATOM 13400 O OE2 . GLU A 1 38 ? 5.004 16.208 3.566 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 9 +ATOM 13401 H H . GLU A 1 38 ? 4.688 12.360 0.306 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 9 +ATOM 13402 H HA . GLU A 1 38 ? 7.189 13.504 -0.444 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 9 +ATOM 13403 H HB2 . GLU A 1 38 ? 6.753 15.200 1.283 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 9 +ATOM 13404 H HB3 . GLU A 1 38 ? 5.355 14.943 0.252 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 9 +ATOM 13405 H HG2 . GLU A 1 38 ? 4.379 13.511 2.009 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 9 +ATOM 13406 H HG3 . GLU A 1 38 ? 5.762 13.879 3.035 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 9 +ATOM 13407 N N . SER A 1 39 ? 7.160 11.687 2.230 1.00 0.00 ? ? ? ? ? ? 36 SER A N 9 +ATOM 13408 C CA . SER A 1 39 ? 7.942 10.983 3.224 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 9 +ATOM 13409 C C . SER A 1 39 ? 7.273 9.644 3.518 1.00 0.00 ? ? ? ? ? ? 36 SER A C 9 +ATOM 13410 O O . SER A 1 39 ? 6.559 9.508 4.493 1.00 0.00 ? ? ? ? ? ? 36 SER A O 9 +ATOM 13411 C CB . SER A 1 39 ? 8.073 11.809 4.522 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 9 +ATOM 13412 O OG . SER A 1 39 ? 8.719 13.059 4.283 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 9 +ATOM 13413 H H . SER A 1 39 ? 6.228 11.392 2.119 1.00 0.00 ? ? ? ? ? ? 36 SER A H 9 +ATOM 13414 H HA . SER A 1 39 ? 8.924 10.778 2.825 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 9 +ATOM 13415 H HB2 . SER A 1 39 ? 7.089 11.999 4.923 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 9 +ATOM 13416 H HB3 . SER A 1 39 ? 8.651 11.249 5.242 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 9 +ATOM 13417 H HG . SER A 1 39 ? 8.776 13.150 3.321 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 9 +ATOM 13418 N N . PRO A 1 40 ? 7.419 8.651 2.620 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 9 +ATOM 13419 C CA . PRO A 1 40 ? 6.783 7.354 2.810 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 9 +ATOM 13420 C C . PRO A 1 40 ? 7.508 6.528 3.856 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 9 +ATOM 13421 O O . PRO A 1 40 ? 6.919 5.674 4.512 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 9 +ATOM 13422 C CB . PRO A 1 40 ? 6.859 6.709 1.429 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 9 +ATOM 13423 C CG . PRO A 1 40 ? 8.054 7.325 0.791 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 9 +ATOM 13424 C CD . PRO A 1 40 ? 8.149 8.728 1.335 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 9 +ATOM 13425 H HA . PRO A 1 40 ? 5.754 7.464 3.114 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 9 +ATOM 13426 H HB2 . PRO A 1 40 ? 6.959 5.640 1.533 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 9 +ATOM 13427 H HB3 . PRO A 1 40 ? 5.959 6.935 0.875 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 9 +ATOM 13428 H HG2 . PRO A 1 40 ? 8.936 6.761 1.056 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 9 +ATOM 13429 H HG3 . PRO A 1 40 ? 7.928 7.345 -0.281 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 9 +ATOM 13430 H HD2 . PRO A 1 40 ? 9.181 9.010 1.491 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 9 +ATOM 13431 H HD3 . PRO A 1 40 ? 7.661 9.422 0.666 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 9 +ATOM 13432 N N . ARG A 1 41 ? 8.781 6.829 4.042 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 9 +ATOM 13433 C CA . ARG A 1 41 ? 9.613 6.150 5.014 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 9 +ATOM 13434 C C . ARG A 1 41 ? 9.375 6.638 6.448 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 9 +ATOM 13435 O O . ARG A 1 41 ? 10.225 7.250 7.076 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 9 +ATOM 13436 C CB . ARG A 1 41 ? 11.111 6.130 4.599 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 9 +ATOM 13437 C CG . ARG A 1 41 ? 11.625 7.388 3.875 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 9 +ATOM 13438 C CD . ARG A 1 41 ? 11.515 8.654 4.706 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 9 +ATOM 13439 N NE . ARG A 1 41 ? 12.021 9.816 3.986 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 9 +ATOM 13440 C CZ . ARG A 1 41 ? 11.950 11.086 4.402 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 9 +ATOM 13441 N NH1 . ARG A 1 41 ? 11.377 11.382 5.567 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 9 +ATOM 13442 N NH2 . ARG A 1 41 ? 12.450 12.056 3.644 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 9 +ATOM 13443 H H . ARG A 1 41 ? 9.148 7.555 3.496 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 9 +ATOM 13444 H HA . ARG A 1 41 ? 9.253 5.131 5.002 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 9 +ATOM 13445 H HB2 . ARG A 1 41 ? 11.706 6.001 5.490 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 9 +ATOM 13446 H HB3 . ARG A 1 41 ? 11.272 5.279 3.954 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 9 +ATOM 13447 H HG2 . ARG A 1 41 ? 12.661 7.242 3.612 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 9 +ATOM 13448 H HG3 . ARG A 1 41 ? 11.054 7.515 2.968 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 9 +ATOM 13449 H HD2 . ARG A 1 41 ? 10.474 8.816 4.941 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 9 +ATOM 13450 H HD3 . ARG A 1 41 ? 12.072 8.525 5.621 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 9 +ATOM 13451 H HE . ARG A 1 41 ? 12.445 9.606 3.121 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 9 +ATOM 13452 H HH11 . ARG A 1 41 ? 10.980 10.686 6.172 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 9 +ATOM 13453 H HH12 . ARG A 1 41 ? 11.314 12.322 5.915 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 9 +ATOM 13454 H HH21 . ARG A 1 41 ? 12.882 11.861 2.760 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 9 +ATOM 13455 H HH22 . ARG A 1 41 ? 12.423 13.019 3.925 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 9 +ATOM 13456 N N . ILE A 1 42 ? 8.176 6.431 6.898 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 9 +ATOM 13457 C CA . ILE A 1 42 ? 7.760 6.785 8.228 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 9 +ATOM 13458 C C . ILE A 1 42 ? 7.705 5.546 9.110 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 9 +ATOM 13459 O O . ILE A 1 42 ? 7.005 4.584 8.799 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 9 +ATOM 13460 C CB . ILE A 1 42 ? 6.374 7.497 8.203 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 9 +ATOM 13461 C CG1 . ILE A 1 42 ? 6.504 8.884 7.575 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 9 +ATOM 13462 C CG2 . ILE A 1 42 ? 5.759 7.586 9.589 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 9 +ATOM 13463 C CD1 . ILE A 1 42 ? 5.193 9.633 7.430 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 9 +ATOM 13464 H H . ILE A 1 42 ? 7.534 6.019 6.278 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 9 +ATOM 13465 H HA . ILE A 1 42 ? 8.490 7.469 8.632 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 9 +ATOM 13466 H HB . ILE A 1 42 ? 5.711 6.907 7.587 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 9 +ATOM 13467 H HG12 . ILE A 1 42 ? 7.152 9.477 8.203 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 9 +ATOM 13468 H HG13 . ILE A 1 42 ? 6.948 8.791 6.594 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 9 +ATOM 13469 H HG21 . ILE A 1 42 ? 4.819 8.114 9.527 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 9 +ATOM 13470 H HG22 . ILE A 1 42 ? 6.439 8.100 10.250 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 9 +ATOM 13471 H HG23 . ILE A 1 42 ? 5.583 6.589 9.966 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 9 +ATOM 13472 H HD11 . ILE A 1 42 ? 4.746 9.761 8.404 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 9 +ATOM 13473 H HD12 . ILE A 1 42 ? 4.525 9.067 6.798 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 9 +ATOM 13474 H HD13 . ILE A 1 42 ? 5.381 10.600 6.988 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 9 +ATOM 13475 N N . GLU A 1 43 ? 8.427 5.597 10.211 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 9 +ATOM 13476 C CA . GLU A 1 43 ? 8.501 4.518 11.195 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 9 +ATOM 13477 C C . GLU A 1 43 ? 7.118 4.119 11.725 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 9 +ATOM 13478 O O . GLU A 1 43 ? 6.837 2.943 11.941 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 9 +ATOM 13479 C CB . GLU A 1 43 ? 9.447 4.885 12.368 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 9 +ATOM 13480 C CG . GLU A 1 43 ? 9.054 6.113 13.216 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 9 +ATOM 13481 C CD . GLU A 1 43 ? 9.097 7.429 12.471 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 9 +ATOM 13482 O OE1 . GLU A 1 43 ? 10.207 7.949 12.209 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 9 +ATOM 13483 O OE2 . GLU A 1 43 ? 8.027 7.946 12.108 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 9 +ATOM 13484 H H . GLU A 1 43 ? 8.957 6.409 10.366 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 9 +ATOM 13485 H HA . GLU A 1 43 ? 8.916 3.659 10.688 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 9 +ATOM 13486 H HB2 . GLU A 1 43 ? 9.509 4.038 13.034 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 9 +ATOM 13487 H HB3 . GLU A 1 43 ? 10.429 5.065 11.958 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 9 +ATOM 13488 H HG2 . GLU A 1 43 ? 8.035 5.961 13.539 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 9 +ATOM 13489 H HG3 . GLU A 1 43 ? 9.704 6.169 14.076 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 9 +ATOM 13490 N N . ALA A 1 44 ? 6.249 5.101 11.873 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 9 +ATOM 13491 C CA . ALA A 1 44 ? 4.889 4.889 12.387 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 9 +ATOM 13492 C C . ALA A 1 44 ? 4.004 4.187 11.353 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 9 +ATOM 13493 O O . ALA A 1 44 ? 2.940 3.654 11.671 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 9 +ATOM 13494 C CB . ALA A 1 44 ? 4.272 6.217 12.794 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 9 +ATOM 13495 H H . ALA A 1 44 ? 6.559 6.002 11.639 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 9 +ATOM 13496 H HA . ALA A 1 44 ? 4.962 4.263 13.263 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 9 +ATOM 13497 H HB1 . ALA A 1 44 ? 4.903 6.702 13.524 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 9 +ATOM 13498 H HB2 . ALA A 1 44 ? 3.292 6.046 13.214 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 9 +ATOM 13499 H HB3 . ALA A 1 44 ? 4.184 6.845 11.918 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 9 +ATOM 13500 N N . ASN A 1 45 ? 4.444 4.180 10.123 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 9 +ATOM 13501 C CA . ASN A 1 45 ? 3.687 3.541 9.071 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 9 +ATOM 13502 C C . ASN A 1 45 ? 4.330 2.232 8.705 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 9 +ATOM 13503 O O . ASN A 1 45 ? 3.770 1.461 7.970 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 9 +ATOM 13504 C CB . ASN A 1 45 ? 3.589 4.420 7.799 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 9 +ATOM 13505 C CG . ASN A 1 45 ? 2.811 5.714 7.977 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 9 +ATOM 13506 O OD1 . ASN A 1 45 ? 1.899 5.813 8.791 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 9 +ATOM 13507 N ND2 . ASN A 1 45 ? 3.160 6.716 7.213 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 9 +ATOM 13508 H H . ASN A 1 45 ? 5.312 4.585 9.912 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 9 +ATOM 13509 H HA . ASN A 1 45 ? 2.690 3.354 9.439 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 9 +ATOM 13510 H HB2 . ASN A 1 45 ? 4.587 4.681 7.478 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 9 +ATOM 13511 H HB3 . ASN A 1 45 ? 3.115 3.840 7.022 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 9 +ATOM 13512 H HD21 . ASN A 1 45 ? 3.894 6.587 6.579 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 9 +ATOM 13513 H HD22 . ASN A 1 45 ? 2.671 7.565 7.289 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 9 +ATOM 13514 N N . LYS A 1 46 ? 5.483 1.967 9.258 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 9 +ATOM 13515 C CA . LYS A 1 46 ? 6.261 0.841 8.887 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 9 +ATOM 13516 C C . LYS A 1 46 ? 5.882 -0.424 9.632 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 9 +ATOM 13517 O O . LYS A 1 46 ? 5.592 -0.397 10.834 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 9 +ATOM 13518 C CB . LYS A 1 46 ? 7.731 1.206 9.039 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 9 +ATOM 13519 C CG . LYS A 1 46 ? 8.676 0.056 9.113 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 9 +ATOM 13520 C CD . LYS A 1 46 ? 10.105 0.505 8.882 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 9 +ATOM 13521 C CE . LYS A 1 46 ? 10.373 0.737 7.403 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 9 +ATOM 13522 N NZ . LYS A 1 46 ? 11.722 1.265 7.135 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 9 +ATOM 13523 H H . LYS A 1 46 ? 5.862 2.509 9.981 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 9 +ATOM 13524 H HA . LYS A 1 46 ? 6.084 0.672 7.836 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 9 +ATOM 13525 H HB2 . LYS A 1 46 ? 8.011 1.813 8.193 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 9 +ATOM 13526 H HB3 . LYS A 1 46 ? 7.838 1.799 9.937 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 9 +ATOM 13527 H HG2 . LYS A 1 46 ? 8.555 -0.333 10.112 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 9 +ATOM 13528 H HG3 . LYS A 1 46 ? 8.374 -0.677 8.381 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 9 +ATOM 13529 H HD2 . LYS A 1 46 ? 10.251 1.436 9.414 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 9 +ATOM 13530 H HD3 . LYS A 1 46 ? 10.774 -0.252 9.256 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 9 +ATOM 13531 H HE2 . LYS A 1 46 ? 10.269 -0.206 6.888 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 9 +ATOM 13532 H HE3 . LYS A 1 46 ? 9.641 1.430 7.015 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 9 +ATOM 13533 H HZ1 . LYS A 1 46 ? 11.821 2.246 7.463 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 9 +ATOM 13534 H HZ2 . LYS A 1 46 ? 11.910 1.241 6.106 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 9 +ATOM 13535 H HZ3 . LYS A 1 46 ? 12.446 0.682 7.597 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 9 +ATOM 13536 N N . LEU A 1 47 ? 5.853 -1.512 8.891 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 9 +ATOM 13537 C CA . LEU A 1 47 ? 5.579 -2.831 9.418 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 9 +ATOM 13538 C C . LEU A 1 47 ? 6.870 -3.440 9.911 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 9 +ATOM 13539 O O . LEU A 1 47 ? 7.868 -3.481 9.173 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 9 +ATOM 13540 C CB . LEU A 1 47 ? 5.008 -3.739 8.330 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 9 +ATOM 13541 C CG . LEU A 1 47 ? 3.697 -3.317 7.683 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 9 +ATOM 13542 C CD1 . LEU A 1 47 ? 3.308 -4.317 6.621 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 9 +ATOM 13543 C CD2 . LEU A 1 47 ? 2.606 -3.222 8.713 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 9 +ATOM 13544 H H . LEU A 1 47 ? 6.049 -1.416 7.931 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 9 +ATOM 13545 H HA . LEU A 1 47 ? 4.870 -2.753 10.228 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 9 +ATOM 13546 H HB2 . LEU A 1 47 ? 5.747 -3.805 7.546 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 9 +ATOM 13547 H HB3 . LEU A 1 47 ? 4.876 -4.723 8.755 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 9 +ATOM 13548 H HG . LEU A 1 47 ? 3.817 -2.349 7.216 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 9 +ATOM 13549 H HD11 . LEU A 1 47 ? 2.371 -4.018 6.175 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 9 +ATOM 13550 H HD12 . LEU A 1 47 ? 3.198 -5.292 7.071 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 9 +ATOM 13551 H HD13 . LEU A 1 47 ? 4.071 -4.356 5.860 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 9 +ATOM 13552 H HD21 . LEU A 1 47 ? 2.451 -4.194 9.158 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 9 +ATOM 13553 H HD22 . LEU A 1 47 ? 1.699 -2.899 8.225 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 9 +ATOM 13554 H HD23 . LEU A 1 47 ? 2.894 -2.515 9.475 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 9 +ATOM 13555 N N . ARG A 1 48 ? 6.853 -3.920 11.115 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 9 +ATOM 13556 C CA . ARG A 1 48 ? 8.018 -4.514 11.711 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 9 +ATOM 13557 C C . ARG A 1 48 ? 8.256 -5.894 11.116 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 9 +ATOM 13558 O O . ARG A 1 48 ? 7.409 -6.787 11.244 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 9 +ATOM 13559 C CB . ARG A 1 48 ? 7.824 -4.660 13.211 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 9 +ATOM 13560 C CG . ARG A 1 48 ? 9.016 -5.259 13.927 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 9 +ATOM 13561 C CD . ARG A 1 48 ? 8.621 -5.802 15.280 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 9 +ATOM 13562 N NE . ARG A 1 48 ? 7.623 -6.877 15.141 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 9 +ATOM 13563 C CZ . ARG A 1 48 ? 7.651 -8.038 15.797 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 9 +ATOM 13564 N NH1 . ARG A 1 48 ? 8.541 -8.242 16.765 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 9 +ATOM 13565 N NH2 . ARG A 1 48 ? 6.773 -8.985 15.490 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 9 +ATOM 13566 H H . ARG A 1 48 ? 6.018 -3.887 11.628 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 9 +ATOM 13567 H HA . ARG A 1 48 ? 8.870 -3.878 11.526 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 9 +ATOM 13568 H HB2 . ARG A 1 48 ? 7.628 -3.687 13.636 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 9 +ATOM 13569 H HB3 . ARG A 1 48 ? 6.969 -5.297 13.379 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 9 +ATOM 13570 H HG2 . ARG A 1 48 ? 9.413 -6.065 13.328 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 9 +ATOM 13571 H HG3 . ARG A 1 48 ? 9.769 -4.495 14.054 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 9 +ATOM 13572 H HD2 . ARG A 1 48 ? 9.499 -6.195 15.768 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 9 +ATOM 13573 H HD3 . ARG A 1 48 ? 8.199 -5.007 15.873 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 9 +ATOM 13574 H HE . ARG A 1 48 ? 6.914 -6.712 14.478 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 9 +ATOM 13575 H HH11 . ARG A 1 48 ? 9.207 -7.543 17.031 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 9 +ATOM 13576 H HH12 . ARG A 1 48 ? 8.603 -9.109 17.271 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 9 +ATOM 13577 H HH21 . ARG A 1 48 ? 6.088 -8.842 14.767 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 9 +ATOM 13578 H HH22 . ARG A 1 48 ? 6.763 -9.883 15.936 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 9 +ATOM 13579 N N . GLY A 1 49 ? 9.366 -6.050 10.448 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 9 +ATOM 13580 C CA . GLY A 1 49 ? 9.743 -7.337 9.925 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 9 +ATOM 13581 C C . GLY A 1 49 ? 9.543 -7.445 8.437 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 9 +ATOM 13582 O O . GLY A 1 49 ? 10.024 -8.388 7.804 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 9 +ATOM 13583 H H . GLY A 1 49 ? 9.941 -5.270 10.291 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 9 +ATOM 13584 H HA2 . GLY A 1 49 ? 10.785 -7.510 10.150 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 9 +ATOM 13585 H HA3 . GLY A 1 49 ? 9.150 -8.096 10.413 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 9 +ATOM 13586 N N . MET A 1 50 ? 8.861 -6.492 7.866 1.00 0.00 ? ? ? ? ? ? 47 MET A N 9 +ATOM 13587 C CA . MET A 1 50 ? 8.588 -6.511 6.442 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 9 +ATOM 13588 C C . MET A 1 50 ? 9.530 -5.557 5.735 1.00 0.00 ? ? ? ? ? ? 47 MET A C 9 +ATOM 13589 O O . MET A 1 50 ? 9.763 -4.453 6.239 1.00 0.00 ? ? ? ? ? ? 47 MET A O 9 +ATOM 13590 C CB . MET A 1 50 ? 7.136 -6.120 6.170 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 9 +ATOM 13591 C CG . MET A 1 50 ? 6.102 -7.079 6.759 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 9 +ATOM 13592 S SD . MET A 1 50 ? 6.195 -8.750 6.059 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 9 +ATOM 13593 C CE . MET A 1 50 ? 5.758 -8.432 4.342 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 9 +ATOM 13594 H H . MET A 1 50 ? 8.555 -5.737 8.411 1.00 0.00 ? ? ? ? ? ? 47 MET A H 9 +ATOM 13595 H HA . MET A 1 50 ? 8.759 -7.516 6.085 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 9 +ATOM 13596 H HB2 . MET A 1 50 ? 6.981 -5.135 6.584 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 9 +ATOM 13597 H HB3 . MET A 1 50 ? 6.987 -6.066 5.103 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 9 +ATOM 13598 H HG2 . MET A 1 50 ? 6.262 -7.139 7.826 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 9 +ATOM 13599 H HG3 . MET A 1 50 ? 5.116 -6.679 6.572 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 9 +ATOM 13600 H HE1 . MET A 1 50 ? 4.771 -7.994 4.298 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 9 +ATOM 13601 H HE2 . MET A 1 50 ? 5.762 -9.359 3.790 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 9 +ATOM 13602 H HE3 . MET A 1 50 ? 6.473 -7.751 3.904 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 9 +ATOM 13603 N N . PRO A 1 51 ? 10.100 -5.956 4.575 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 9 +ATOM 13604 C CA . PRO A 1 51 ? 11.064 -5.130 3.822 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 9 +ATOM 13605 C C . PRO A 1 51 ? 10.460 -3.810 3.339 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 9 +ATOM 13606 O O . PRO A 1 51 ? 9.749 -3.772 2.317 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 9 +ATOM 13607 C CB . PRO A 1 51 ? 11.466 -6.013 2.635 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 9 +ATOM 13608 C CG . PRO A 1 51 ? 10.364 -7.010 2.507 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 9 +ATOM 13609 C CD . PRO A 1 51 ? 9.856 -7.248 3.899 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 9 +ATOM 13610 H HA . PRO A 1 51 ? 11.933 -4.913 4.427 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 9 +ATOM 13611 H HB2 . PRO A 1 51 ? 11.561 -5.405 1.748 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 9 +ATOM 13612 H HB3 . PRO A 1 51 ? 12.407 -6.496 2.849 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 9 +ATOM 13613 H HG2 . PRO A 1 51 ? 9.577 -6.604 1.887 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 9 +ATOM 13614 H HG3 . PRO A 1 51 ? 10.742 -7.927 2.079 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 9 +ATOM 13615 H HD2 . PRO A 1 51 ? 8.802 -7.484 3.879 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 9 +ATOM 13616 H HD3 . PRO A 1 51 ? 10.412 -8.043 4.375 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 9 +ATOM 13617 N N . ASP A 1 52 ? 10.681 -2.763 4.148 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 9 +ATOM 13618 C CA . ASP A 1 52 ? 10.197 -1.395 3.909 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 9 +ATOM 13619 C C . ASP A 1 52 ? 8.759 -1.347 3.493 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 9 +ATOM 13620 O O . ASP A 1 52 ? 8.395 -0.655 2.544 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 9 +ATOM 13621 C CB . ASP A 1 52 ? 11.084 -0.594 2.947 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 9 +ATOM 13622 C CG . ASP A 1 52 ? 12.379 -0.175 3.585 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 9 +ATOM 13623 O OD1 . ASP A 1 52 ? 12.353 0.609 4.558 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 9 +ATOM 13624 O OD2 . ASP A 1 52 ? 13.458 -0.620 3.130 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 9 +ATOM 13625 H H . ASP A 1 52 ? 11.199 -2.944 4.960 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 9 +ATOM 13626 H HA . ASP A 1 52 ? 10.232 -0.906 4.872 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 9 +ATOM 13627 H HB2 . ASP A 1 52 ? 11.301 -1.205 2.084 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 9 +ATOM 13628 H HB3 . ASP A 1 52 ? 10.548 0.289 2.628 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 9 +ATOM 13629 N N . CYS A 1 53 ? 7.937 -2.081 4.199 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 9 +ATOM 13630 C CA . CYS A 1 53 ? 6.545 -2.082 3.915 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 9 +ATOM 13631 C C . CYS A 1 53 ? 5.856 -1.182 4.908 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 9 +ATOM 13632 O O . CYS A 1 53 ? 6.231 -1.138 6.095 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 9 +ATOM 13633 C CB . CYS A 1 53 ? 5.997 -3.499 3.970 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 9 +ATOM 13634 S SG . CYS A 1 53 ? 6.875 -4.651 2.885 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 9 +ATOM 13635 H H . CYS A 1 53 ? 8.272 -2.621 4.944 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 9 +ATOM 13636 H HA . CYS A 1 53 ? 6.401 -1.682 2.924 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 9 +ATOM 13637 H HB2 . CYS A 1 53 ? 6.080 -3.868 4.982 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 9 +ATOM 13638 H HB3 . CYS A 1 53 ? 4.960 -3.491 3.674 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 9 +ATOM 13639 H HG . CYS A 1 53 ? 8.047 -4.088 2.607 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 9 +ATOM 13640 N N . TYR A 1 54 ? 4.886 -0.467 4.438 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 9 +ATOM 13641 C CA . TYR A 1 54 ? 4.193 0.501 5.222 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 9 +ATOM 13642 C C . TYR A 1 54 ? 2.709 0.307 5.060 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 9 +ATOM 13643 O O . TYR A 1 54 ? 2.246 -0.080 3.980 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 9 +ATOM 13644 C CB . TYR A 1 54 ? 4.590 1.929 4.787 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 9 +ATOM 13645 C CG . TYR A 1 54 ? 6.077 2.227 4.901 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 9 +ATOM 13646 C CD1 . TYR A 1 54 ? 6.943 1.904 3.875 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 9 +ATOM 13647 C CD2 . TYR A 1 54 ? 6.612 2.816 6.030 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 9 +ATOM 13648 C CE1 . TYR A 1 54 ? 8.292 2.155 3.973 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 9 +ATOM 13649 C CE2 . TYR A 1 54 ? 7.961 3.073 6.126 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 9 +ATOM 13650 C CZ . TYR A 1 54 ? 8.792 2.736 5.093 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 9 +ATOM 13651 O OH . TYR A 1 54 ? 10.142 2.975 5.193 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 9 +ATOM 13652 H H . TYR A 1 54 ? 4.612 -0.586 3.500 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 9 +ATOM 13653 H HA . TYR A 1 54 ? 4.463 0.369 6.259 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 9 +ATOM 13654 H HB2 . TYR A 1 54 ? 4.307 2.073 3.755 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 9 +ATOM 13655 H HB3 . TYR A 1 54 ? 4.058 2.642 5.399 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 9 +ATOM 13656 H HD1 . TYR A 1 54 ? 6.546 1.442 2.985 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 9 +ATOM 13657 H HD2 . TYR A 1 54 ? 5.967 3.081 6.855 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 9 +ATOM 13658 H HE1 . TYR A 1 54 ? 8.949 1.894 3.157 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 9 +ATOM 13659 H HE2 . TYR A 1 54 ? 8.360 3.538 7.016 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 9 +ATOM 13660 H HH . TYR A 1 54 ? 10.483 3.280 4.348 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 9 +ATOM 13661 N N . LYS A 1 55 ? 1.975 0.561 6.114 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 9 +ATOM 13662 C CA . LYS A 1 55 ? 0.546 0.420 6.091 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 9 +ATOM 13663 C C . LYS A 1 55 ? -0.110 1.762 6.302 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 9 +ATOM 13664 O O . LYS A 1 55 ? 0.380 2.600 7.075 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 9 +ATOM 13665 C CB . LYS A 1 55 ? 0.007 -0.596 7.156 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 9 +ATOM 13666 C CG . LYS A 1 55 ? -0.026 -0.124 8.644 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 9 +ATOM 13667 C CD . LYS A 1 55 ? 1.357 0.110 9.234 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 9 +ATOM 13668 C CE . LYS A 1 55 ? 1.319 0.509 10.712 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 9 +ATOM 13669 N NZ . LYS A 1 55 ? 0.698 1.836 10.953 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 9 +ATOM 13670 H H . LYS A 1 55 ? 2.429 0.881 6.926 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 9 +ATOM 13671 H HA . LYS A 1 55 ? 0.276 0.061 5.109 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 9 +ATOM 13672 H HB2 . LYS A 1 55 ? -1.003 -0.862 6.882 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 9 +ATOM 13673 H HB3 . LYS A 1 55 ? 0.615 -1.486 7.098 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 9 +ATOM 13674 H HG2 . LYS A 1 55 ? -0.576 0.805 8.696 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 9 +ATOM 13675 H HG3 . LYS A 1 55 ? -0.540 -0.872 9.229 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 9 +ATOM 13676 H HD2 . LYS A 1 55 ? 1.935 -0.795 9.131 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 9 +ATOM 13677 H HD3 . LYS A 1 55 ? 1.837 0.900 8.674 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 9 +ATOM 13678 H HE2 . LYS A 1 55 ? 0.771 -0.237 11.269 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 9 +ATOM 13679 H HE3 . LYS A 1 55 ? 2.340 0.534 11.059 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 9 +ATOM 13680 H HZ1 . LYS A 1 55 ? 0.652 2.044 11.971 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 9 +ATOM 13681 H HZ2 . LYS A 1 55 ? -0.280 1.889 10.607 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 9 +ATOM 13682 H HZ3 . LYS A 1 55 ? 1.228 2.615 10.517 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 9 +ATOM 13683 N N . ILE A 1 56 ? -1.165 1.983 5.600 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 9 +ATOM 13684 C CA . ILE A 1 56 ? -1.987 3.139 5.802 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 9 +ATOM 13685 C C . ILE A 1 56 ? -3.368 2.640 6.138 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 9 +ATOM 13686 O O . ILE A 1 56 ? -3.826 1.656 5.553 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 9 +ATOM 13687 C CB . ILE A 1 56 ? -2.049 4.067 4.551 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 9 +ATOM 13688 C CG1 . ILE A 1 56 ? -0.635 4.541 4.171 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 9 +ATOM 13689 C CG2 . ILE A 1 56 ? -2.969 5.269 4.822 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 9 +ATOM 13690 C CD1 . ILE A 1 56 ? -0.582 5.443 2.955 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 9 +ATOM 13691 H H . ILE A 1 56 ? -1.407 1.330 4.903 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 9 +ATOM 13692 H HA . ILE A 1 56 ? -1.595 3.686 6.647 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 9 +ATOM 13693 H HB . ILE A 1 56 ? -2.466 3.502 3.731 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 9 +ATOM 13694 H HG12 . ILE A 1 56 ? -0.216 5.091 5.000 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 9 +ATOM 13695 H HG13 . ILE A 1 56 ? -0.018 3.676 3.978 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 9 +ATOM 13696 H HG21 . ILE A 1 56 ? -3.009 5.905 3.951 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 9 +ATOM 13697 H HG22 . ILE A 1 56 ? -2.595 5.847 5.655 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 9 +ATOM 13698 H HG23 . ILE A 1 56 ? -3.969 4.932 5.055 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 9 +ATOM 13699 H HD11 . ILE A 1 56 ? 0.446 5.699 2.743 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 9 +ATOM 13700 H HD12 . ILE A 1 56 ? -1.137 6.345 3.163 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 9 +ATOM 13701 H HD13 . ILE A 1 56 ? -1.015 4.936 2.106 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 9 +ATOM 13702 N N . LYS A 1 57 ? -4.001 3.265 7.086 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 9 +ATOM 13703 C CA . LYS A 1 57 ? -5.316 2.868 7.484 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 9 +ATOM 13704 C C . LYS A 1 57 ? -6.290 3.996 7.275 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 9 +ATOM 13705 O O . LYS A 1 57 ? -6.000 5.155 7.605 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 9 +ATOM 13706 C CB . LYS A 1 57 ? -5.388 2.283 8.926 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 9 +ATOM 13707 C CG . LYS A 1 57 ? -5.161 3.246 10.084 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 9 +ATOM 13708 C CD . LYS A 1 57 ? -3.775 3.847 10.094 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 9 +ATOM 13709 C CE . LYS A 1 57 ? -3.601 4.698 11.292 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 9 +ATOM 13710 N NZ . LYS A 1 57 ? -2.268 5.336 11.334 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 9 +ATOM 13711 H H . LYS A 1 57 ? -3.584 4.046 7.499 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 9 +ATOM 13712 H HA . LYS A 1 57 ? -5.590 2.092 6.794 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 9 +ATOM 13713 H HB2 . LYS A 1 57 ? -6.366 1.846 9.065 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 9 +ATOM 13714 H HB3 . LYS A 1 57 ? -4.658 1.489 8.998 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 9 +ATOM 13715 H HG2 . LYS A 1 57 ? -5.879 4.050 10.008 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 9 +ATOM 13716 H HG3 . LYS A 1 57 ? -5.321 2.712 11.010 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 9 +ATOM 13717 H HD2 . LYS A 1 57 ? -3.026 3.071 10.089 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 9 +ATOM 13718 H HD3 . LYS A 1 57 ? -3.657 4.475 9.225 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 9 +ATOM 13719 H HE2 . LYS A 1 57 ? -4.379 5.442 11.209 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 9 +ATOM 13720 H HE3 . LYS A 1 57 ? -3.764 4.073 12.155 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 9 +ATOM 13721 H HZ1 . LYS A 1 57 ? -1.503 4.638 11.242 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 9 +ATOM 13722 H HZ2 . LYS A 1 57 ? -2.130 5.808 12.249 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 9 +ATOM 13723 H HZ3 . LYS A 1 57 ? -2.160 6.059 10.596 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 9 +ATOM 13724 N N . LEU A 1 58 ? -7.398 3.679 6.678 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 9 +ATOM 13725 C CA . LEU A 1 58 ? -8.433 4.642 6.411 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 9 +ATOM 13726 C C . LEU A 1 58 ? -9.265 4.732 7.683 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 9 +ATOM 13727 O O . LEU A 1 58 ? -9.870 3.739 8.089 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 9 +ATOM 13728 C CB . LEU A 1 58 ? -9.272 4.146 5.219 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 9 +ATOM 13729 C CG . LEU A 1 58 ? -9.974 5.202 4.346 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 9 +ATOM 13730 C CD1 . LEU A 1 58 ? -10.659 4.531 3.188 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 9 +ATOM 13731 C CD2 . LEU A 1 58 ? -10.978 6.020 5.124 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 9 +ATOM 13732 H H . LEU A 1 58 ? -7.517 2.738 6.416 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 9 +ATOM 13733 H HA . LEU A 1 58 ? -7.984 5.597 6.186 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 9 +ATOM 13734 H HB2 . LEU A 1 58 ? -8.625 3.569 4.577 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 9 +ATOM 13735 H HB3 . LEU A 1 58 ? -10.030 3.482 5.608 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 9 +ATOM 13736 H HG . LEU A 1 58 ? -9.224 5.866 3.941 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 9 +ATOM 13737 H HD11 . LEU A 1 58 ? -11.376 3.817 3.563 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 9 +ATOM 13738 H HD12 . LEU A 1 58 ? -9.928 4.024 2.576 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 9 +ATOM 13739 H HD13 . LEU A 1 58 ? -11.176 5.271 2.596 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 9 +ATOM 13740 H HD21 . LEU A 1 58 ? -11.748 5.372 5.516 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 9 +ATOM 13741 H HD22 . LEU A 1 58 ? -11.417 6.748 4.456 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 9 +ATOM 13742 H HD23 . LEU A 1 58 ? -10.472 6.520 5.935 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 9 +ATOM 13743 N N . ARG A 1 59 ? -9.286 5.912 8.282 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 9 +ATOM 13744 C CA . ARG A 1 59 ? -9.861 6.149 9.612 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 9 +ATOM 13745 C C . ARG A 1 59 ? -11.295 5.628 9.778 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 9 +ATOM 13746 O O . ARG A 1 59 ? -11.558 4.823 10.671 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 9 +ATOM 13747 C CB . ARG A 1 59 ? -9.779 7.642 9.970 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 9 +ATOM 13748 C CG . ARG A 1 59 ? -10.227 7.999 11.388 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 9 +ATOM 13749 C CD . ARG A 1 59 ? -9.327 7.365 12.443 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 9 +ATOM 13750 N NE . ARG A 1 59 ? -7.921 7.772 12.283 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 9 +ATOM 13751 C CZ . ARG A 1 59 ? -6.942 7.538 13.164 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 9 +ATOM 13752 N NH1 . ARG A 1 59 ? -7.201 6.933 14.325 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 9 +ATOM 13753 N NH2 . ARG A 1 59 ? -5.708 7.925 12.884 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 9 +ATOM 13754 H H . ARG A 1 59 ? -8.899 6.680 7.807 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 9 +ATOM 13755 H HA . ARG A 1 59 ? -9.238 5.614 10.313 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 9 +ATOM 13756 H HB2 . ARG A 1 59 ? -8.756 7.967 9.855 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 9 +ATOM 13757 H HB3 . ARG A 1 59 ? -10.396 8.192 9.277 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 9 +ATOM 13758 H HG2 . ARG A 1 59 ? -10.200 9.072 11.508 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 9 +ATOM 13759 H HG3 . ARG A 1 59 ? -11.237 7.647 11.529 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 9 +ATOM 13760 H HD2 . ARG A 1 59 ? -9.668 7.676 13.420 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 9 +ATOM 13761 H HD3 . ARG A 1 59 ? -9.392 6.289 12.367 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 9 +ATOM 13762 H HE . ARG A 1 59 ? -7.703 8.251 11.449 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 9 +ATOM 13763 H HH11 . ARG A 1 59 ? -8.122 6.638 14.594 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 9 +ATOM 13764 H HH12 . ARG A 1 59 ? -6.489 6.739 15.005 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 9 +ATOM 13765 H HH21 . ARG A 1 59 ? -5.506 8.386 12.012 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 9 +ATOM 13766 H HH22 . ARG A 1 59 ? -4.931 7.809 13.508 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 9 +ATOM 13767 N N . SER A 1 60 ? -12.208 6.076 8.946 1.00 0.00 ? ? ? ? ? ? 57 SER A N 9 +ATOM 13768 C CA . SER A 1 60 ? -13.592 5.667 9.096 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 9 +ATOM 13769 C C . SER A 1 60 ? -13.830 4.242 8.597 1.00 0.00 ? ? ? ? ? ? 57 SER A C 9 +ATOM 13770 O O . SER A 1 60 ? -14.354 3.400 9.335 1.00 0.00 ? ? ? ? ? ? 57 SER A O 9 +ATOM 13771 C CB . SER A 1 60 ? -14.536 6.649 8.394 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 9 +ATOM 13772 O OG . SER A 1 60 ? -15.893 6.311 8.631 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 9 +ATOM 13773 H H . SER A 1 60 ? -11.956 6.715 8.244 1.00 0.00 ? ? ? ? ? ? 57 SER A H 9 +ATOM 13774 H HA . SER A 1 60 ? -13.812 5.684 10.152 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 9 +ATOM 13775 H HB2 . SER A 1 60 ? -14.364 7.650 8.758 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 9 +ATOM 13776 H HB3 . SER A 1 60 ? -14.354 6.617 7.330 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 9 +ATOM 13777 H HG . SER A 1 60 ? -16.255 7.004 9.198 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 9 +ATOM 13778 N N . SER A 1 61 ? -13.438 3.976 7.367 1.00 0.00 ? ? ? ? ? ? 58 SER A N 9 +ATOM 13779 C CA . SER A 1 61 ? -13.698 2.707 6.717 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 9 +ATOM 13780 C C . SER A 1 61 ? -12.999 1.513 7.407 1.00 0.00 ? ? ? ? ? ? 58 SER A C 9 +ATOM 13781 O O . SER A 1 61 ? -13.545 0.409 7.439 1.00 0.00 ? ? ? ? ? ? 58 SER A O 9 +ATOM 13782 C CB . SER A 1 61 ? -13.258 2.819 5.279 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 9 +ATOM 13783 O OG . SER A 1 61 ? -13.728 4.030 4.726 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 9 +ATOM 13784 H H . SER A 1 61 ? -12.982 4.659 6.833 1.00 0.00 ? ? ? ? ? ? 58 SER A H 9 +ATOM 13785 H HA . SER A 1 61 ? -14.765 2.539 6.725 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 9 +ATOM 13786 H HB2 . SER A 1 61 ? -12.181 2.801 5.232 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 9 +ATOM 13787 H HB3 . SER A 1 61 ? -13.664 1.996 4.709 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 9 +ATOM 13788 H HG . SER A 1 61 ? -14.657 3.922 4.492 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 9 +ATOM 13789 N N . GLY A 1 62 ? -11.806 1.734 7.945 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 9 +ATOM 13790 C CA . GLY A 1 62 ? -11.096 0.661 8.603 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 9 +ATOM 13791 C C . GLY A 1 62 ? -10.362 -0.230 7.622 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 9 +ATOM 13792 O O . GLY A 1 62 ? -10.137 -1.423 7.879 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 9 +ATOM 13793 H H . GLY A 1 62 ? -11.397 2.628 7.927 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 9 +ATOM 13794 H HA2 . GLY A 1 62 ? -10.387 1.077 9.303 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 9 +ATOM 13795 H HA3 . GLY A 1 62 ? -11.815 0.061 9.136 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 9 +ATOM 13796 N N . TYR A 1 63 ? -10.007 0.325 6.500 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 9 +ATOM 13797 C CA . TYR A 1 63 ? -9.269 -0.406 5.495 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 9 +ATOM 13798 C C . TYR A 1 63 ? -7.799 -0.138 5.650 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 9 +ATOM 13799 O O . TYR A 1 63 ? -7.406 0.930 6.123 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 9 +ATOM 13800 C CB . TYR A 1 63 ? -9.725 -0.045 4.081 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 9 +ATOM 13801 C CG . TYR A 1 63 ? -11.049 -0.654 3.667 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 9 +ATOM 13802 C CD1 . TYR A 1 63 ? -12.240 -0.247 4.237 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 9 +ATOM 13803 C CD2 . TYR A 1 63 ? -11.099 -1.632 2.684 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 9 +ATOM 13804 C CE1 . TYR A 1 63 ? -13.442 -0.791 3.846 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 9 +ATOM 13805 C CE2 . TYR A 1 63 ? -12.302 -2.177 2.282 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 9 +ATOM 13806 C CZ . TYR A 1 63 ? -13.468 -1.751 2.865 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 9 +ATOM 13807 O OH . TYR A 1 63 ? -14.671 -2.280 2.459 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 9 +ATOM 13808 H H . TYR A 1 63 ? -10.223 1.268 6.356 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 9 +ATOM 13809 H HA . TYR A 1 63 ? -9.449 -1.459 5.663 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 9 +ATOM 13810 H HB2 . TYR A 1 63 ? -9.822 1.028 4.009 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 9 +ATOM 13811 H HB3 . TYR A 1 63 ? -8.972 -0.376 3.380 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 9 +ATOM 13812 H HD1 . TYR A 1 63 ? -12.214 0.507 5.009 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 9 +ATOM 13813 H HD2 . TYR A 1 63 ? -10.179 -1.963 2.227 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 9 +ATOM 13814 H HE1 . TYR A 1 63 ? -14.361 -0.458 4.304 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 9 +ATOM 13815 H HE2 . TYR A 1 63 ? -12.323 -2.938 1.516 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 9 +ATOM 13816 H HH . TYR A 1 63 ? -14.544 -3.226 2.302 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 9 +ATOM 13817 N N . ARG A 1 64 ? -7.001 -1.096 5.282 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 9 +ATOM 13818 C CA . ARG A 1 64 ? -5.567 -0.999 5.372 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 9 +ATOM 13819 C C . ARG A 1 64 ? -4.955 -1.237 4.005 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 9 +ATOM 13820 O O . ARG A 1 64 ? -5.439 -2.070 3.237 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 9 +ATOM 13821 C CB . ARG A 1 64 ? -4.964 -2.009 6.381 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 9 +ATOM 13822 C CG . ARG A 1 64 ? -5.135 -1.699 7.882 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 9 +ATOM 13823 C CD . ARG A 1 64 ? -6.568 -1.832 8.403 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 9 +ATOM 13824 N NE . ARG A 1 64 ? -6.601 -1.672 9.866 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 9 +ATOM 13825 C CZ . ARG A 1 64 ? -7.648 -1.932 10.686 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 9 +ATOM 13826 N NH1 . ARG A 1 64 ? -8.851 -2.218 10.199 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 9 +ATOM 13827 N NH2 . ARG A 1 64 ? -7.489 -1.849 11.991 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 9 +ATOM 13828 H H . ARG A 1 64 ? -7.383 -1.904 4.867 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 9 +ATOM 13829 H HA . ARG A 1 64 ? -5.323 0.004 5.691 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 9 +ATOM 13830 H HB2 . ARG A 1 64 ? -5.416 -2.971 6.199 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 9 +ATOM 13831 H HB3 . ARG A 1 64 ? -3.907 -2.091 6.172 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 9 +ATOM 13832 H HG2 . ARG A 1 64 ? -4.512 -2.377 8.446 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 9 +ATOM 13833 H HG3 . ARG A 1 64 ? -4.792 -0.690 8.058 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 9 +ATOM 13834 H HD2 . ARG A 1 64 ? -7.181 -1.070 7.944 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 9 +ATOM 13835 H HD3 . ARG A 1 64 ? -6.951 -2.809 8.148 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 9 +ATOM 13836 H HE . ARG A 1 64 ? -5.740 -1.382 10.249 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 9 +ATOM 13837 H HH11 . ARG A 1 64 ? -9.059 -2.243 9.219 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 9 +ATOM 13838 H HH12 . ARG A 1 64 ? -9.624 -2.435 10.808 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 9 +ATOM 13839 H HH21 . ARG A 1 64 ? -6.613 -1.599 12.410 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 9 +ATOM 13840 H HH22 . ARG A 1 64 ? -8.237 -2.024 12.640 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 9 +ATOM 13841 N N . LEU A 1 65 ? -3.934 -0.503 3.703 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 9 +ATOM 13842 C CA . LEU A 1 65 ? -3.213 -0.640 2.463 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 9 +ATOM 13843 C C . LEU A 1 65 ? -1.747 -0.833 2.809 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 9 +ATOM 13844 O O . LEU A 1 65 ? -1.218 -0.095 3.640 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 9 +ATOM 13845 C CB . LEU A 1 65 ? -3.448 0.625 1.593 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 9 +ATOM 13846 C CG . LEU A 1 65 ? -2.901 0.633 0.143 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 9 +ATOM 13847 C CD1 . LEU A 1 65 ? -3.569 1.736 -0.648 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 9 +ATOM 13848 C CD2 . LEU A 1 65 ? -1.397 0.851 0.110 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 9 +ATOM 13849 H H . LEU A 1 65 ? -3.640 0.182 4.345 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 9 +ATOM 13850 H HA . LEU A 1 65 ? -3.579 -1.514 1.946 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 9 +ATOM 13851 H HB2 . LEU A 1 65 ? -4.514 0.793 1.539 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 9 +ATOM 13852 H HB3 . LEU A 1 65 ? -3.008 1.460 2.118 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 9 +ATOM 13853 H HG . LEU A 1 65 ? -3.128 -0.308 -0.337 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 9 +ATOM 13854 H HD11 . LEU A 1 65 ? -3.371 2.690 -0.184 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 9 +ATOM 13855 H HD12 . LEU A 1 65 ? -4.634 1.556 -0.669 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 9 +ATOM 13856 H HD13 . LEU A 1 65 ? -3.187 1.731 -1.658 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 9 +ATOM 13857 H HD21 . LEU A 1 65 ? -1.055 0.883 -0.914 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 9 +ATOM 13858 H HD22 . LEU A 1 65 ? -0.911 0.037 0.629 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 9 +ATOM 13859 H HD23 . LEU A 1 65 ? -1.164 1.780 0.606 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 9 +ATOM 13860 N N . VAL A 1 66 ? -1.108 -1.826 2.207 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 9 +ATOM 13861 C CA . VAL A 1 66 ? 0.290 -2.116 2.481 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 9 +ATOM 13862 C C . VAL A 1 66 ? 1.115 -2.048 1.191 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 9 +ATOM 13863 O O . VAL A 1 66 ? 0.837 -2.762 0.200 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 9 +ATOM 13864 C CB . VAL A 1 66 ? 0.474 -3.513 3.162 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 9 +ATOM 13865 C CG1 . VAL A 1 66 ? 1.944 -3.797 3.457 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 9 +ATOM 13866 C CG2 . VAL A 1 66 ? -0.332 -3.599 4.450 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 9 +ATOM 13867 H H . VAL A 1 66 ? -1.563 -2.386 1.537 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 9 +ATOM 13868 H HA . VAL A 1 66 ? 0.648 -1.353 3.156 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 9 +ATOM 13869 H HB . VAL A 1 66 ? 0.114 -4.272 2.483 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 9 +ATOM 13870 H HG11 . VAL A 1 66 ? 2.035 -4.768 3.923 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 9 +ATOM 13871 H HG12 . VAL A 1 66 ? 2.315 -3.052 4.146 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 9 +ATOM 13872 H HG13 . VAL A 1 66 ? 2.518 -3.772 2.544 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 9 +ATOM 13873 H HG21 . VAL A 1 66 ? -0.013 -2.817 5.125 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 9 +ATOM 13874 H HG22 . VAL A 1 66 ? -0.161 -4.559 4.916 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 9 +ATOM 13875 H HG23 . VAL A 1 66 ? -1.384 -3.482 4.232 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 9 +ATOM 13876 N N . TYR A 1 67 ? 2.112 -1.205 1.206 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 9 +ATOM 13877 C CA . TYR A 1 67 ? 2.998 -1.014 0.080 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 9 +ATOM 13878 C C . TYR A 1 67 ? 4.425 -1.062 0.563 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 9 +ATOM 13879 O O . TYR A 1 67 ? 4.674 -0.856 1.743 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 9 +ATOM 13880 C CB . TYR A 1 67 ? 2.723 0.343 -0.620 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 9 +ATOM 13881 C CG . TYR A 1 67 ? 2.939 1.580 0.244 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 9 +ATOM 13882 C CD1 . TYR A 1 67 ? 4.202 2.143 0.393 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 9 +ATOM 13883 C CD2 . TYR A 1 67 ? 1.880 2.179 0.903 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 9 +ATOM 13884 C CE1 . TYR A 1 67 ? 4.398 3.254 1.175 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 9 +ATOM 13885 C CE2 . TYR A 1 67 ? 2.068 3.296 1.683 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 9 +ATOM 13886 C CZ . TYR A 1 67 ? 3.331 3.827 1.816 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 9 +ATOM 13887 O OH . TYR A 1 67 ? 3.529 4.922 2.609 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 9 +ATOM 13888 H H . TYR A 1 67 ? 2.279 -0.695 2.031 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 9 +ATOM 13889 H HA . TYR A 1 67 ? 2.847 -1.810 -0.635 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 9 +ATOM 13890 H HB2 . TYR A 1 67 ? 3.364 0.435 -1.484 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 9 +ATOM 13891 H HB3 . TYR A 1 67 ? 1.695 0.346 -0.950 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 9 +ATOM 13892 H HD1 . TYR A 1 67 ? 5.041 1.688 -0.114 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 9 +ATOM 13893 H HD2 . TYR A 1 67 ? 0.894 1.755 0.795 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 9 +ATOM 13894 H HE1 . TYR A 1 67 ? 5.384 3.681 1.278 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 9 +ATOM 13895 H HE2 . TYR A 1 67 ? 1.223 3.751 2.179 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 9 +ATOM 13896 H HH . TYR A 1 67 ? 3.064 4.781 3.436 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 9 +ATOM 13897 N N . GLN A 1 68 ? 5.341 -1.347 -0.311 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 9 +ATOM 13898 C CA . GLN A 1 68 ? 6.732 -1.288 0.038 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 9 +ATOM 13899 C C . GLN A 1 68 ? 7.394 -0.175 -0.723 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 9 +ATOM 13900 O O . GLN A 1 68 ? 7.090 0.059 -1.895 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 9 +ATOM 13901 C CB . GLN A 1 68 ? 7.478 -2.607 -0.185 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 9 +ATOM 13902 C CG . GLN A 1 68 ? 7.449 -3.134 -1.609 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 9 +ATOM 13903 C CD . GLN A 1 68 ? 8.432 -4.267 -1.837 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 9 +ATOM 13904 O OE1 . GLN A 1 68 ? 8.920 -4.457 -2.946 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 9 +ATOM 13905 N NE2 . GLN A 1 68 ? 8.779 -4.989 -0.791 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 9 +ATOM 13906 H H . GLN A 1 68 ? 5.076 -1.588 -1.228 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 9 +ATOM 13907 H HA . GLN A 1 68 ? 6.782 -1.026 1.084 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 9 +ATOM 13908 H HB2 . GLN A 1 68 ? 8.512 -2.469 0.094 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 9 +ATOM 13909 H HB3 . GLN A 1 68 ? 7.046 -3.358 0.460 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 9 +ATOM 13910 H HG2 . GLN A 1 68 ? 6.453 -3.488 -1.831 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 9 +ATOM 13911 H HG3 . GLN A 1 68 ? 7.695 -2.320 -2.277 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 9 +ATOM 13912 H HE21 . GLN A 1 68 ? 8.398 -4.769 0.086 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 9 +ATOM 13913 H HE22 . GLN A 1 68 ? 9.419 -5.716 -0.939 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 9 +ATOM 13914 N N . VAL A 1 69 ? 8.252 0.522 -0.067 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 9 +ATOM 13915 C CA . VAL A 1 69 ? 8.961 1.601 -0.683 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 9 +ATOM 13916 C C . VAL A 1 69 ? 10.217 1.070 -1.315 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 9 +ATOM 13917 O O . VAL A 1 69 ? 11.119 0.598 -0.619 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 9 +ATOM 13918 C CB . VAL A 1 69 ? 9.316 2.718 0.338 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 9 +ATOM 13919 C CG1 . VAL A 1 69 ? 10.189 3.794 -0.291 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 9 +ATOM 13920 C CG2 . VAL A 1 69 ? 8.059 3.343 0.885 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 9 +ATOM 13921 H H . VAL A 1 69 ? 8.430 0.281 0.871 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 9 +ATOM 13922 H HA . VAL A 1 69 ? 8.331 2.021 -1.453 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 9 +ATOM 13923 H HB . VAL A 1 69 ? 9.859 2.273 1.160 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 9 +ATOM 13924 H HG11 . VAL A 1 69 ? 11.103 3.343 -0.648 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 9 +ATOM 13925 H HG12 . VAL A 1 69 ? 10.422 4.540 0.455 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 9 +ATOM 13926 H HG13 . VAL A 1 69 ? 9.663 4.254 -1.114 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 9 +ATOM 13927 H HG21 . VAL A 1 69 ? 7.442 2.577 1.331 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 9 +ATOM 13928 H HG22 . VAL A 1 69 ? 7.514 3.844 0.100 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 9 +ATOM 13929 H HG23 . VAL A 1 69 ? 8.332 4.059 1.646 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 9 +ATOM 13930 N N . ILE A 1 70 ? 10.266 1.099 -2.618 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 9 +ATOM 13931 C CA . ILE A 1 70 ? 11.450 0.708 -3.302 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 9 +ATOM 13932 C C . ILE A 1 70 ? 12.175 1.985 -3.643 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 9 +ATOM 13933 O O . ILE A 1 70 ? 11.871 2.649 -4.644 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 9 +ATOM 13934 C CB . ILE A 1 70 ? 11.156 -0.068 -4.604 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 9 +ATOM 13935 C CG1 . ILE A 1 70 ? 10.102 -1.156 -4.360 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 9 +ATOM 13936 C CG2 . ILE A 1 70 ? 12.452 -0.701 -5.114 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 9 +ATOM 13937 C CD1 . ILE A 1 70 ? 9.650 -1.857 -5.622 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 9 +ATOM 13938 H H . ILE A 1 70 ? 9.497 1.400 -3.152 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 9 +ATOM 13939 H HA . ILE A 1 70 ? 12.054 0.109 -2.638 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 9 +ATOM 13940 H HB . ILE A 1 70 ? 10.793 0.626 -5.348 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 9 +ATOM 13941 H HG12 . ILE A 1 70 ? 10.506 -1.896 -3.687 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 9 +ATOM 13942 H HG13 . ILE A 1 70 ? 9.236 -0.704 -3.902 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 9 +ATOM 13943 H HG21 . ILE A 1 70 ? 13.176 0.073 -5.319 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 9 +ATOM 13944 H HG22 . ILE A 1 70 ? 12.249 -1.256 -6.018 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 9 +ATOM 13945 H HG23 . ILE A 1 70 ? 12.845 -1.371 -4.362 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 9 +ATOM 13946 H HD11 . ILE A 1 70 ? 9.229 -1.128 -6.299 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 9 +ATOM 13947 H HD12 . ILE A 1 70 ? 8.906 -2.600 -5.377 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 9 +ATOM 13948 H HD13 . ILE A 1 70 ? 10.499 -2.332 -6.091 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 9 +ATOM 13949 N N . ASP A 1 71 ? 13.100 2.349 -2.804 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 9 +ATOM 13950 C CA . ASP A 1 71 ? 13.823 3.603 -2.949 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 9 +ATOM 13951 C C . ASP A 1 71 ? 14.759 3.539 -4.132 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 9 +ATOM 13952 O O . ASP A 1 71 ? 14.968 4.540 -4.823 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 9 +ATOM 13953 C CB . ASP A 1 71 ? 14.576 3.945 -1.664 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 9 +ATOM 13954 C CG . ASP A 1 71 ? 15.338 5.253 -1.746 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 9 +ATOM 13955 O OD1 . ASP A 1 71 ? 16.496 5.250 -2.232 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 9 +ATOM 13956 O OD2 . ASP A 1 71 ? 14.807 6.297 -1.289 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 9 +ATOM 13957 H H . ASP A 1 71 ? 13.318 1.746 -2.061 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 9 +ATOM 13958 H HA . ASP A 1 71 ? 13.098 4.375 -3.148 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 9 +ATOM 13959 H HB2 . ASP A 1 71 ? 13.866 4.019 -0.854 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 9 +ATOM 13960 H HB3 . ASP A 1 71 ? 15.273 3.150 -1.448 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 9 +ATOM 13961 N N . GLU A 1 72 ? 15.267 2.342 -4.396 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 9 +ATOM 13962 C CA . GLU A 1 72 ? 16.145 2.098 -5.532 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 9 +ATOM 13963 C C . GLU A 1 72 ? 15.450 2.422 -6.847 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 9 +ATOM 13964 O O . GLU A 1 72 ? 16.064 2.917 -7.776 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 9 +ATOM 13965 C CB . GLU A 1 72 ? 16.594 0.645 -5.574 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 9 +ATOM 13966 C CG . GLU A 1 72 ? 17.432 0.195 -4.401 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 9 +ATOM 13967 C CD . GLU A 1 72 ? 17.949 -1.203 -4.604 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 9 +ATOM 13968 O OE1 . GLU A 1 72 ? 19.022 -1.356 -5.217 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 9 +ATOM 13969 O OE2 . GLU A 1 72 ? 17.283 -2.173 -4.181 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 9 +ATOM 13970 H H . GLU A 1 72 ? 15.061 1.608 -3.778 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 9 +ATOM 13971 H HA . GLU A 1 72 ? 17.018 2.724 -5.423 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 9 +ATOM 13972 H HB2 . GLU A 1 72 ? 15.716 0.018 -5.609 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 9 +ATOM 13973 H HB3 . GLU A 1 72 ? 17.161 0.492 -6.478 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 9 +ATOM 13974 H HG2 . GLU A 1 72 ? 18.272 0.866 -4.296 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 9 +ATOM 13975 H HG3 . GLU A 1 72 ? 16.831 0.221 -3.503 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 9 +ATOM 13976 N N . LYS A 1 73 ? 14.166 2.150 -6.912 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 9 +ATOM 13977 C CA . LYS A 1 73 ? 13.415 2.360 -8.134 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 9 +ATOM 13978 C C . LYS A 1 73 ? 12.537 3.605 -8.030 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 9 +ATOM 13979 O O . LYS A 1 73 ? 11.847 3.965 -8.975 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 9 +ATOM 13980 C CB . LYS A 1 73 ? 12.597 1.107 -8.466 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 9 +ATOM 13981 C CG . LYS A 1 73 ? 13.467 -0.131 -8.674 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 9 +ATOM 13982 C CD . LYS A 1 73 ? 12.646 -1.388 -8.911 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 9 +ATOM 13983 C CE . LYS A 1 73 ? 13.555 -2.605 -9.033 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 9 +ATOM 13984 N NZ . LYS A 1 73 ? 12.802 -3.862 -9.163 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 9 +ATOM 13985 H H . LYS A 1 73 ? 13.715 1.807 -6.114 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 9 +ATOM 13986 H HA . LYS A 1 73 ? 14.136 2.523 -8.921 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 9 +ATOM 13987 H HB2 . LYS A 1 73 ? 11.922 0.909 -7.647 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 9 +ATOM 13988 H HB3 . LYS A 1 73 ? 12.028 1.280 -9.367 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 9 +ATOM 13989 H HG2 . LYS A 1 73 ? 14.106 0.032 -9.528 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 9 +ATOM 13990 H HG3 . LYS A 1 73 ? 14.079 -0.270 -7.795 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 9 +ATOM 13991 H HD2 . LYS A 1 73 ? 11.960 -1.535 -8.092 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 9 +ATOM 13992 H HD3 . LYS A 1 73 ? 12.089 -1.274 -9.830 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 9 +ATOM 13993 H HE2 . LYS A 1 73 ? 14.178 -2.488 -9.906 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 9 +ATOM 13994 H HE3 . LYS A 1 73 ? 14.183 -2.655 -8.156 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 9 +ATOM 13995 H HZ1 . LYS A 1 73 ? 12.189 -4.016 -8.334 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 9 +ATOM 13996 H HZ2 . LYS A 1 73 ? 13.444 -4.677 -9.224 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 9 +ATOM 13997 H HZ3 . LYS A 1 73 ? 12.198 -3.860 -10.008 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 9 +ATOM 13998 N N . VAL A 1 74 ? 12.587 4.254 -6.856 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 9 +ATOM 13999 C CA . VAL A 1 74 ? 11.855 5.511 -6.561 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 9 +ATOM 14000 C C . VAL A 1 74 ? 10.319 5.296 -6.736 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 9 +ATOM 14001 O O . VAL A 1 74 ? 9.557 6.197 -7.078 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 9 +ATOM 14002 C CB . VAL A 1 74 ? 12.389 6.702 -7.459 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 9 +ATOM 14003 C CG1 . VAL A 1 74 ? 11.841 8.057 -7.005 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 9 +ATOM 14004 C CG2 . VAL A 1 74 ? 13.916 6.742 -7.457 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 9 +ATOM 14005 H H . VAL A 1 74 ? 13.147 3.877 -6.146 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 9 +ATOM 14006 H HA . VAL A 1 74 ? 12.037 5.738 -5.521 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 9 +ATOM 14007 H HB . VAL A 1 74 ? 12.059 6.529 -8.472 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 9 +ATOM 14008 H HG11 . VAL A 1 74 ? 10.765 8.052 -7.076 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 9 +ATOM 14009 H HG12 . VAL A 1 74 ? 12.240 8.835 -7.637 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 9 +ATOM 14010 H HG13 . VAL A 1 74 ? 12.135 8.242 -5.982 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 9 +ATOM 14011 H HG21 . VAL A 1 74 ? 14.303 5.811 -7.846 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 9 +ATOM 14012 H HG22 . VAL A 1 74 ? 14.268 6.881 -6.447 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 9 +ATOM 14013 H HG23 . VAL A 1 74 ? 14.256 7.562 -8.073 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 9 +ATOM 14014 N N . VAL A 1 75 ? 9.871 4.113 -6.425 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 9 +ATOM 14015 C CA . VAL A 1 75 ? 8.483 3.774 -6.594 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 9 +ATOM 14016 C C . VAL A 1 75 ? 8.011 2.958 -5.403 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 9 +ATOM 14017 O O . VAL A 1 75 ? 8.777 2.165 -4.842 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 9 +ATOM 14018 C CB . VAL A 1 75 ? 8.244 2.997 -7.944 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 9 +ATOM 14019 C CG1 . VAL A 1 75 ? 8.997 1.683 -7.997 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 9 +ATOM 14020 C CG2 . VAL A 1 75 ? 6.768 2.775 -8.226 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 9 +ATOM 14021 H H . VAL A 1 75 ? 10.477 3.447 -6.032 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 9 +ATOM 14022 H HA . VAL A 1 75 ? 7.919 4.696 -6.623 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 9 +ATOM 14023 H HB . VAL A 1 75 ? 8.649 3.603 -8.740 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 9 +ATOM 14024 H HG11 . VAL A 1 75 ? 8.791 1.207 -8.945 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 9 +ATOM 14025 H HG12 . VAL A 1 75 ? 8.670 1.048 -7.186 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 9 +ATOM 14026 H HG13 . VAL A 1 75 ? 10.055 1.880 -7.912 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 9 +ATOM 14027 H HG21 . VAL A 1 75 ? 6.262 3.728 -8.286 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 9 +ATOM 14028 H HG22 . VAL A 1 75 ? 6.334 2.188 -7.430 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 9 +ATOM 14029 H HG23 . VAL A 1 75 ? 6.656 2.248 -9.162 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 9 +ATOM 14030 N N . VAL A 1 76 ? 6.810 3.202 -4.959 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 9 +ATOM 14031 C CA . VAL A 1 76 ? 6.256 2.433 -3.933 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 9 +ATOM 14032 C C . VAL A 1 76 ? 5.356 1.384 -4.567 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 9 +ATOM 14033 O O . VAL A 1 76 ? 4.517 1.685 -5.434 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 9 +ATOM 14034 C CB . VAL A 1 76 ? 5.512 3.286 -2.867 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 9 +ATOM 14035 C CG1 . VAL A 1 76 ? 6.418 4.358 -2.293 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 9 +ATOM 14036 C CG2 . VAL A 1 76 ? 4.222 3.894 -3.376 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 9 +ATOM 14037 H H . VAL A 1 76 ? 6.237 3.908 -5.328 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 9 +ATOM 14038 H HA . VAL A 1 76 ? 7.080 1.914 -3.463 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 9 +ATOM 14039 H HB . VAL A 1 76 ? 5.280 2.595 -2.079 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 9 +ATOM 14040 H HG11 . VAL A 1 76 ? 6.702 5.049 -3.073 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 9 +ATOM 14041 H HG12 . VAL A 1 76 ? 7.309 3.891 -1.899 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 9 +ATOM 14042 H HG13 . VAL A 1 76 ? 5.903 4.887 -1.504 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 9 +ATOM 14043 H HG21 . VAL A 1 76 ? 3.556 3.086 -3.647 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 9 +ATOM 14044 H HG22 . VAL A 1 76 ? 4.424 4.507 -4.242 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 9 +ATOM 14045 H HG23 . VAL A 1 76 ? 3.767 4.487 -2.597 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 9 +ATOM 14046 N N . PHE A 1 77 ? 5.575 0.178 -4.199 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 9 +ATOM 14047 C CA . PHE A 1 77 ? 4.879 -0.931 -4.766 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 9 +ATOM 14048 C C . PHE A 1 77 ? 3.818 -1.403 -3.802 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 9 +ATOM 14049 O O . PHE A 1 77 ? 4.134 -1.921 -2.730 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 9 +ATOM 14050 C CB . PHE A 1 77 ? 5.905 -2.039 -5.069 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 9 +ATOM 14051 C CG . PHE A 1 77 ? 5.347 -3.327 -5.600 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 9 +ATOM 14052 C CD1 . PHE A 1 77 ? 4.891 -3.419 -6.899 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 9 +ATOM 14053 C CD2 . PHE A 1 77 ? 5.310 -4.455 -4.800 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 9 +ATOM 14054 C CE1 . PHE A 1 77 ? 4.406 -4.610 -7.389 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 9 +ATOM 14055 C CE2 . PHE A 1 77 ? 4.823 -5.648 -5.283 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 9 +ATOM 14056 C CZ . PHE A 1 77 ? 4.372 -5.725 -6.579 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 9 +ATOM 14057 H H . PHE A 1 77 ? 6.232 0.014 -3.485 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 9 +ATOM 14058 H HA . PHE A 1 77 ? 4.421 -0.619 -5.693 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 9 +ATOM 14059 H HB2 . PHE A 1 77 ? 6.605 -1.670 -5.803 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 9 +ATOM 14060 H HB3 . PHE A 1 77 ? 6.447 -2.256 -4.160 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 9 +ATOM 14061 H HD1 . PHE A 1 77 ? 4.916 -2.545 -7.532 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 9 +ATOM 14062 H HD2 . PHE A 1 77 ? 5.666 -4.392 -3.782 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 9 +ATOM 14063 H HE1 . PHE A 1 77 ? 4.051 -4.675 -8.406 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 9 +ATOM 14064 H HE2 . PHE A 1 77 ? 4.795 -6.520 -4.647 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 9 +ATOM 14065 H HZ . PHE A 1 77 ? 3.993 -6.661 -6.963 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 9 +ATOM 14066 N N . VAL A 1 78 ? 2.571 -1.181 -4.151 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 9 +ATOM 14067 C CA . VAL A 1 78 ? 1.473 -1.637 -3.338 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 9 +ATOM 14068 C C . VAL A 1 78 ? 1.344 -3.123 -3.548 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 9 +ATOM 14069 O O . VAL A 1 78 ? 1.138 -3.585 -4.679 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 9 +ATOM 14070 C CB . VAL A 1 78 ? 0.140 -0.923 -3.704 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 9 +ATOM 14071 C CG1 . VAL A 1 78 ? -1.005 -1.403 -2.812 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 9 +ATOM 14072 C CG2 . VAL A 1 78 ? 0.295 0.593 -3.603 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 9 +ATOM 14073 H H . VAL A 1 78 ? 2.392 -0.697 -4.990 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 9 +ATOM 14074 H HA . VAL A 1 78 ? 1.715 -1.446 -2.304 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 9 +ATOM 14075 H HB . VAL A 1 78 ? -0.109 -1.171 -4.725 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 9 +ATOM 14076 H HG11 . VAL A 1 78 ? -1.145 -2.466 -2.946 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 9 +ATOM 14077 H HG12 . VAL A 1 78 ? -1.918 -0.885 -3.072 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 9 +ATOM 14078 H HG13 . VAL A 1 78 ? -0.762 -1.204 -1.778 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 9 +ATOM 14079 H HG21 . VAL A 1 78 ? -0.636 1.065 -3.878 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 9 +ATOM 14080 H HG22 . VAL A 1 78 ? 1.078 0.922 -4.271 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 9 +ATOM 14081 H HG23 . VAL A 1 78 ? 0.551 0.866 -2.591 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 9 +ATOM 14082 N N . ILE A 1 79 ? 1.466 -3.865 -2.481 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 9 +ATOM 14083 C CA . ILE A 1 79 ? 1.483 -5.301 -2.578 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 9 +ATOM 14084 C C . ILE A 1 79 ? 0.089 -5.840 -2.344 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 9 +ATOM 14085 O O . ILE A 1 79 ? -0.369 -6.750 -3.033 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 9 +ATOM 14086 C CB . ILE A 1 79 ? 2.439 -5.926 -1.525 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 9 +ATOM 14087 C CG1 . ILE A 1 79 ? 3.802 -5.217 -1.536 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 9 +ATOM 14088 C CG2 . ILE A 1 79 ? 2.628 -7.412 -1.824 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 9 +ATOM 14089 C CD1 . ILE A 1 79 ? 4.750 -5.687 -0.450 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 9 +ATOM 14090 H H . ILE A 1 79 ? 1.542 -3.433 -1.602 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 9 +ATOM 14091 H HA . ILE A 1 79 ? 1.823 -5.578 -3.564 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 9 +ATOM 14092 H HB . ILE A 1 79 ? 1.992 -5.824 -0.548 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 9 +ATOM 14093 H HG12 . ILE A 1 79 ? 4.280 -5.402 -2.487 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 9 +ATOM 14094 H HG13 . ILE A 1 79 ? 3.652 -4.155 -1.415 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 9 +ATOM 14095 H HG21 . ILE A 1 79 ? 1.674 -7.916 -1.767 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 9 +ATOM 14096 H HG22 . ILE A 1 79 ? 3.311 -7.835 -1.103 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 9 +ATOM 14097 H HG23 . ILE A 1 79 ? 3.041 -7.529 -2.816 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 9 +ATOM 14098 H HD11 . ILE A 1 79 ? 5.683 -5.149 -0.520 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 9 +ATOM 14099 H HD12 . ILE A 1 79 ? 4.934 -6.746 -0.568 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 9 +ATOM 14100 H HD13 . ILE A 1 79 ? 4.303 -5.509 0.517 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 9 +ATOM 14101 N N . SER A 1 80 ? -0.588 -5.281 -1.369 1.00 0.00 ? ? ? ? ? ? 77 SER A N 9 +ATOM 14102 C CA . SER A 1 80 ? -1.917 -5.707 -1.016 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 9 +ATOM 14103 C C . SER A 1 80 ? -2.681 -4.557 -0.387 1.00 0.00 ? ? ? ? ? ? 77 SER A C 9 +ATOM 14104 O O . SER A 1 80 ? -2.079 -3.633 0.185 1.00 0.00 ? ? ? ? ? ? 77 SER A O 9 +ATOM 14105 C CB . SER A 1 80 ? -1.855 -6.922 -0.075 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 9 +ATOM 14106 O OG . SER A 1 80 ? -1.232 -8.030 -0.725 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 9 +ATOM 14107 H H . SER A 1 80 ? -0.204 -4.537 -0.853 1.00 0.00 ? ? ? ? ? ? 77 SER A H 9 +ATOM 14108 H HA . SER A 1 80 ? -2.417 -5.998 -1.928 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 9 +ATOM 14109 H HB2 . SER A 1 80 ? -1.282 -6.669 0.804 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 9 +ATOM 14110 H HB3 . SER A 1 80 ? -2.856 -7.208 0.212 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 9 +ATOM 14111 H HG . SER A 1 80 ? -0.822 -7.673 -1.527 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 9 +ATOM 14112 N N . VAL A 1 81 ? -3.977 -4.595 -0.509 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 9 +ATOM 14113 C CA . VAL A 1 81 ? -4.834 -3.555 -0.003 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 9 +ATOM 14114 C C . VAL A 1 81 ? -6.161 -4.182 0.398 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 9 +ATOM 14115 O O . VAL A 1 81 ? -6.544 -5.196 -0.153 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 9 +ATOM 14116 C CB . VAL A 1 81 ? -5.041 -2.427 -1.078 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 9 +ATOM 14117 C CG1 . VAL A 1 81 ? -5.664 -2.968 -2.352 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 9 +ATOM 14118 C CG2 . VAL A 1 81 ? -5.861 -1.272 -0.535 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 9 +ATOM 14119 H H . VAL A 1 81 ? -4.416 -5.365 -0.934 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 9 +ATOM 14120 H HA . VAL A 1 81 ? -4.363 -3.132 0.872 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 9 +ATOM 14121 H HB . VAL A 1 81 ? -4.061 -2.053 -1.340 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 9 +ATOM 14122 H HG11 . VAL A 1 81 ? -5.019 -3.724 -2.775 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 9 +ATOM 14123 H HG12 . VAL A 1 81 ? -5.791 -2.164 -3.063 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 9 +ATOM 14124 H HG13 . VAL A 1 81 ? -6.626 -3.403 -2.126 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 9 +ATOM 14125 H HG21 . VAL A 1 81 ? -5.358 -0.853 0.324 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 9 +ATOM 14126 H HG22 . VAL A 1 81 ? -6.840 -1.625 -0.248 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 9 +ATOM 14127 H HG23 . VAL A 1 81 ? -5.958 -0.515 -1.298 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 9 +ATOM 14128 N N . GLY A 1 82 ? -6.799 -3.650 1.391 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 9 +ATOM 14129 C CA . GLY A 1 82 ? -8.076 -4.157 1.772 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 9 +ATOM 14130 C C . GLY A 1 82 ? -8.238 -4.158 3.253 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 9 +ATOM 14131 O O . GLY A 1 82 ? -8.287 -3.100 3.883 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 9 +ATOM 14132 H H . GLY A 1 82 ? -6.394 -2.919 1.911 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 9 +ATOM 14133 H HA2 . GLY A 1 82 ? -8.842 -3.538 1.330 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 9 +ATOM 14134 H HA3 . GLY A 1 82 ? -8.179 -5.167 1.404 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 9 +ATOM 14135 N N . LYS A 1 83 ? -8.290 -5.313 3.833 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 9 +ATOM 14136 C CA . LYS A 1 83 ? -8.476 -5.406 5.245 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 9 +ATOM 14137 C C . LYS A 1 83 ? -7.382 -6.209 5.888 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 9 +ATOM 14138 O O . LYS A 1 83 ? -6.886 -7.186 5.320 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 9 +ATOM 14139 C CB . LYS A 1 83 ? -9.837 -6.008 5.587 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 9 +ATOM 14140 C CG . LYS A 1 83 ? -11.024 -5.182 5.110 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 9 +ATOM 14141 C CD . LYS A 1 83 ? -12.343 -5.837 5.477 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 9 +ATOM 14142 C CE . LYS A 1 83 ? -12.531 -5.930 6.986 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 9 +ATOM 14143 N NZ . LYS A 1 83 ? -13.783 -6.622 7.355 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 9 +ATOM 14144 H H . LYS A 1 83 ? -8.184 -6.135 3.308 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 9 +ATOM 14145 H HA . LYS A 1 83 ? -8.446 -4.403 5.641 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 9 +ATOM 14146 H HB2 . LYS A 1 83 ? -9.906 -6.990 5.142 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 9 +ATOM 14147 H HB3 . LYS A 1 83 ? -9.894 -6.104 6.661 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 9 +ATOM 14148 H HG2 . LYS A 1 83 ? -10.981 -4.205 5.569 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 9 +ATOM 14149 H HG3 . LYS A 1 83 ? -10.966 -5.077 4.037 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 9 +ATOM 14150 H HD2 . LYS A 1 83 ? -13.145 -5.243 5.062 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 9 +ATOM 14151 H HD3 . LYS A 1 83 ? -12.369 -6.830 5.053 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 9 +ATOM 14152 H HE2 . LYS A 1 83 ? -11.704 -6.468 7.423 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 9 +ATOM 14153 H HE3 . LYS A 1 83 ? -12.558 -4.924 7.378 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 9 +ATOM 14154 H HZ1 . LYS A 1 83 ? -14.610 -6.152 6.939 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 9 +ATOM 14155 H HZ2 . LYS A 1 83 ? -13.895 -6.631 8.391 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 9 +ATOM 14156 H HZ3 . LYS A 1 83 ? -13.756 -7.610 7.034 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 9 +ATOM 14157 N N . ALA A 1 84 ? -7.002 -5.777 7.047 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 9 +ATOM 14158 C CA . ALA A 1 84 ? -6.046 -6.448 7.859 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 9 +ATOM 14159 C C . ALA A 1 84 ? -6.705 -6.657 9.182 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 9 +ATOM 14160 O O . ALA A 1 84 ? -7.090 -5.686 9.840 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 9 +ATOM 14161 C CB . ALA A 1 84 ? -4.791 -5.604 8.018 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 9 +ATOM 14162 H H . ALA A 1 84 ? -7.400 -4.966 7.422 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 9 +ATOM 14163 H HA . ALA A 1 84 ? -5.798 -7.397 7.409 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 9 +ATOM 14164 H HB1 . ALA A 1 84 ? -5.057 -4.645 8.438 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 9 +ATOM 14165 H HB2 . ALA A 1 84 ? -4.329 -5.458 7.054 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 9 +ATOM 14166 H HB3 . ALA A 1 84 ? -4.098 -6.105 8.678 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 9 +ATOM 14167 N N . GLU A 1 85 ? -6.902 -7.881 9.537 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 9 +ATOM 14168 C CA . GLU A 1 85 ? -7.567 -8.207 10.757 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 9 +ATOM 14169 C C . GLU A 1 85 ? -6.710 -9.157 11.589 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 9 +ATOM 14170 O O . GLU A 1 85 ? -6.690 -9.067 12.817 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 9 +ATOM 14171 C CB . GLU A 1 85 ? -8.946 -8.793 10.447 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 9 +ATOM 14172 C CG . GLU A 1 85 ? -9.819 -9.040 11.658 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 9 +ATOM 14173 C CD . GLU A 1 85 ? -11.213 -9.442 11.275 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 9 +ATOM 14174 O OE1 . GLU A 1 85 ? -12.057 -8.553 11.059 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 9 +ATOM 14175 O OE2 . GLU A 1 85 ? -11.493 -10.657 11.179 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 9 +ATOM 14176 H H . GLU A 1 85 ? -6.600 -8.616 8.949 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 9 +ATOM 14177 H HA . GLU A 1 85 ? -7.696 -7.292 11.313 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 9 +ATOM 14178 H HB2 . GLU A 1 85 ? -9.472 -8.113 9.794 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 9 +ATOM 14179 H HB3 . GLU A 1 85 ? -8.810 -9.731 9.929 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 9 +ATOM 14180 H HG2 . GLU A 1 85 ? -9.379 -9.830 12.249 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 9 +ATOM 14181 H HG3 . GLU A 1 85 ? -9.865 -8.136 12.247 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 9 +ATOM 14182 N N . ALA A 1 86 ? -5.990 -10.044 10.933 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 9 +ATOM 14183 C CA . ALA A 1 86 ? -5.106 -10.955 11.637 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 9 +ATOM 14184 C C . ALA A 1 86 ? -3.690 -10.912 11.068 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 9 +ATOM 14185 O O . ALA A 1 86 ? -2.775 -10.412 11.727 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 9 +ATOM 14186 C CB . ALA A 1 86 ? -5.655 -12.376 11.658 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 9 +ATOM 14187 H H . ALA A 1 86 ? -6.062 -10.094 9.950 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 9 +ATOM 14188 H HA . ALA A 1 86 ? -5.051 -10.598 12.656 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 9 +ATOM 14189 H HB1 . ALA A 1 86 ? -5.671 -12.768 10.652 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 9 +ATOM 14190 H HB2 . ALA A 1 86 ? -6.658 -12.365 12.057 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 9 +ATOM 14191 H HB3 . ALA A 1 86 ? -5.028 -12.999 12.278 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 9 +ATOM 14192 N N . SER A 1 87 ? -3.499 -11.408 9.856 1.00 0.00 ? ? ? ? ? ? 84 SER A N 9 +ATOM 14193 C CA . SER A 1 87 ? -2.162 -11.420 9.263 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 9 +ATOM 14194 C C . SER A 1 87 ? -2.259 -11.561 7.728 1.00 0.00 ? ? ? ? ? ? 84 SER A C 9 +ATOM 14195 O O . SER A 1 87 ? -1.298 -11.960 7.043 1.00 0.00 ? ? ? ? ? ? 84 SER A O 9 +ATOM 14196 C CB . SER A 1 87 ? -1.333 -12.575 9.883 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 9 +ATOM 14197 O OG . SER A 1 87 ? 0.051 -12.477 9.560 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 9 +ATOM 14198 H H . SER A 1 87 ? -4.272 -11.778 9.367 1.00 0.00 ? ? ? ? ? ? 84 SER A H 9 +ATOM 14199 H HA . SER A 1 87 ? -1.702 -10.478 9.520 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 9 +ATOM 14200 H HB2 . SER A 1 87 ? -1.434 -12.537 10.957 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 9 +ATOM 14201 H HB3 . SER A 1 87 ? -1.713 -13.519 9.521 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 9 +ATOM 14202 H HG . SER A 1 87 ? 0.536 -12.375 10.387 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 9 +ATOM 14203 N N . GLU A 1 88 ? -3.396 -11.153 7.194 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 9 +ATOM 14204 C CA . GLU A 1 88 ? -3.727 -11.295 5.777 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 9 +ATOM 14205 C C . GLU A 1 88 ? -2.739 -10.528 4.924 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 9 +ATOM 14206 O O . GLU A 1 88 ? -2.091 -11.084 4.041 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 9 +ATOM 14207 C CB . GLU A 1 88 ? -5.148 -10.749 5.487 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 9 +ATOM 14208 C CG . GLU A 1 88 ? -6.303 -11.372 6.284 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 9 +ATOM 14209 C CD . GLU A 1 88 ? -6.174 -11.137 7.763 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 9 +ATOM 14210 O OE1 . GLU A 1 88 ? -6.123 -9.989 8.190 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 9 +ATOM 14211 O OE2 . GLU A 1 88 ? -5.978 -12.100 8.511 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 9 +ATOM 14212 H H . GLU A 1 88 ? -4.082 -10.733 7.758 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 9 +ATOM 14213 H HA . GLU A 1 88 ? -3.701 -12.343 5.519 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 9 +ATOM 14214 H HB2 . GLU A 1 88 ? -5.152 -9.688 5.691 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 9 +ATOM 14215 H HB3 . GLU A 1 88 ? -5.344 -10.894 4.437 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 9 +ATOM 14216 H HG2 . GLU A 1 88 ? -7.231 -10.936 5.948 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 9 +ATOM 14217 H HG3 . GLU A 1 88 ? -6.321 -12.436 6.099 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 9 +ATOM 14218 N N . VAL A 1 89 ? -2.559 -9.267 5.265 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 9 +ATOM 14219 C CA . VAL A 1 89 ? -1.705 -8.375 4.497 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 9 +ATOM 14220 C C . VAL A 1 89 ? -0.219 -8.661 4.705 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 9 +ATOM 14221 O O . VAL A 1 89 ? 0.611 -8.083 4.051 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 9 +ATOM 14222 C CB . VAL A 1 89 ? -2.003 -6.882 4.794 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 9 +ATOM 14223 C CG1 . VAL A 1 89 ? -3.440 -6.536 4.425 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 9 +ATOM 14224 C CG2 . VAL A 1 89 ? -1.720 -6.544 6.258 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 9 +ATOM 14225 H H . VAL A 1 89 ? -3.033 -8.921 6.048 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 9 +ATOM 14226 H HA . VAL A 1 89 ? -1.929 -8.556 3.456 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 9 +ATOM 14227 H HB . VAL A 1 89 ? -1.359 -6.282 4.169 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 9 +ATOM 14228 H HG11 . VAL A 1 89 ? -4.116 -7.150 5.000 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 9 +ATOM 14229 H HG12 . VAL A 1 89 ? -3.595 -6.715 3.372 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 9 +ATOM 14230 H HG13 . VAL A 1 89 ? -3.627 -5.494 4.642 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 9 +ATOM 14231 H HG21 . VAL A 1 89 ? -1.931 -5.500 6.434 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 9 +ATOM 14232 H HG22 . VAL A 1 89 ? -0.683 -6.748 6.480 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 9 +ATOM 14233 H HG23 . VAL A 1 89 ? -2.348 -7.151 6.892 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 9 +ATOM 14234 N N . TYR A 1 90 ? 0.102 -9.527 5.641 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 9 +ATOM 14235 C CA . TYR A 1 90 ? 1.482 -9.902 5.862 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 9 +ATOM 14236 C C . TYR A 1 90 ? 1.817 -11.132 5.048 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 9 +ATOM 14237 O O . TYR A 1 90 ? 2.773 -11.135 4.273 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 9 +ATOM 14238 C CB . TYR A 1 90 ? 1.769 -10.157 7.339 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 9 +ATOM 14239 C CG . TYR A 1 90 ? 1.618 -8.946 8.226 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 9 +ATOM 14240 C CD1 . TYR A 1 90 ? 2.681 -8.077 8.430 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 9 +ATOM 14241 C CD2 . TYR A 1 90 ? 0.427 -8.685 8.874 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 9 +ATOM 14242 C CE1 . TYR A 1 90 ? 2.552 -6.979 9.253 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 9 +ATOM 14243 C CE2 . TYR A 1 90 ? 0.288 -7.597 9.704 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 9 +ATOM 14244 C CZ . TYR A 1 90 ? 1.351 -6.746 9.891 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 9 +ATOM 14245 O OH . TYR A 1 90 ? 1.215 -5.662 10.733 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 9 +ATOM 14246 H H . TYR A 1 90 ? -0.613 -9.936 6.169 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 9 +ATOM 14247 H HA . TYR A 1 90 ? 2.098 -9.085 5.517 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 9 +ATOM 14248 H HB2 . TYR A 1 90 ? 1.087 -10.912 7.702 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 9 +ATOM 14249 H HB3 . TYR A 1 90 ? 2.779 -10.521 7.441 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 9 +ATOM 14250 H HD1 . TYR A 1 90 ? 3.617 -8.262 7.926 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 9 +ATOM 14251 H HD2 . TYR A 1 90 ? -0.404 -9.353 8.715 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 9 +ATOM 14252 H HE1 . TYR A 1 90 ? 3.388 -6.310 9.390 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 9 +ATOM 14253 H HE2 . TYR A 1 90 ? -0.654 -7.413 10.199 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 9 +ATOM 14254 H HH . TYR A 1 90 ? 0.768 -5.981 11.531 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 9 +ATOM 14255 N N . SER A 1 91 ? 0.991 -12.154 5.202 1.00 0.00 ? ? ? ? ? ? 88 SER A N 9 +ATOM 14256 C CA . SER A 1 91 ? 1.192 -13.439 4.559 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 9 +ATOM 14257 C C . SER A 1 91 ? 1.173 -13.312 3.035 1.00 0.00 ? ? ? ? ? ? 88 SER A C 9 +ATOM 14258 O O . SER A 1 91 ? 2.106 -13.756 2.350 1.00 0.00 ? ? ? ? ? ? 88 SER A O 9 +ATOM 14259 C CB . SER A 1 91 ? 0.101 -14.401 5.022 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 9 +ATOM 14260 O OG . SER A 1 91 ? 0.016 -14.424 6.448 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 9 +ATOM 14261 H H . SER A 1 91 ? 0.207 -12.049 5.783 1.00 0.00 ? ? ? ? ? ? 88 SER A H 9 +ATOM 14262 H HA . SER A 1 91 ? 2.149 -13.838 4.858 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 9 +ATOM 14263 H HB2 . SER A 1 91 ? -0.850 -14.085 4.619 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 9 +ATOM 14264 H HB3 . SER A 1 91 ? 0.330 -15.396 4.671 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 9 +ATOM 14265 H HG . SER A 1 91 ? -0.674 -13.802 6.715 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 9 +ATOM 14266 N N . GLU A 1 92 ? 0.152 -12.652 2.522 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 9 +ATOM 14267 C CA . GLU A 1 92 ? -0.018 -12.510 1.092 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 9 +ATOM 14268 C C . GLU A 1 92 ? 1.060 -11.602 0.507 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 9 +ATOM 14269 O O . GLU A 1 92 ? 1.489 -11.781 -0.631 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 9 +ATOM 14270 C CB . GLU A 1 92 ? -1.415 -11.968 0.783 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 9 +ATOM 14271 C CG . GLU A 1 92 ? -2.548 -12.811 1.373 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 9 +ATOM 14272 C CD . GLU A 1 92 ? -2.581 -14.232 0.855 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 9 +ATOM 14273 O OE1 . GLU A 1 92 ? -1.834 -15.077 1.345 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 9 +ATOM 14274 O OE2 . GLU A 1 92 ? -3.387 -14.522 -0.061 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 9 +ATOM 14275 H H . GLU A 1 92 ? -0.523 -12.247 3.108 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 9 +ATOM 14276 H HA . GLU A 1 92 ? 0.081 -13.490 0.650 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 9 +ATOM 14277 H HB2 . GLU A 1 92 ? -1.491 -10.968 1.183 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 9 +ATOM 14278 H HB3 . GLU A 1 92 ? -1.546 -11.926 -0.289 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 9 +ATOM 14279 H HG2 . GLU A 1 92 ? -2.430 -12.847 2.446 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 9 +ATOM 14280 H HG3 . GLU A 1 92 ? -3.489 -12.334 1.140 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 9 +ATOM 14281 N N . ALA A 1 93 ? 1.532 -10.665 1.316 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 9 +ATOM 14282 C CA . ALA A 1 93 ? 2.542 -9.724 0.886 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 9 +ATOM 14283 C C . ALA A 1 93 ? 3.897 -10.385 0.776 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 9 +ATOM 14284 O O . ALA A 1 93 ? 4.541 -10.297 -0.264 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 9 +ATOM 14285 C CB . ALA A 1 93 ? 2.615 -8.524 1.805 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 9 +ATOM 14286 H H . ALA A 1 93 ? 1.185 -10.623 2.231 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 9 +ATOM 14287 H HA . ALA A 1 93 ? 2.250 -9.380 -0.096 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 9 +ATOM 14288 H HB1 . ALA A 1 93 ? 1.644 -8.059 1.874 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 9 +ATOM 14289 H HB2 . ALA A 1 93 ? 3.330 -7.817 1.413 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 9 +ATOM 14290 H HB3 . ALA A 1 93 ? 2.932 -8.846 2.786 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 9 +ATOM 14291 N N . VAL A 1 94 ? 4.318 -11.086 1.831 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 9 +ATOM 14292 C CA . VAL A 1 94 ? 5.633 -11.726 1.843 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 9 +ATOM 14293 C C . VAL A 1 94 ? 5.732 -12.786 0.739 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 9 +ATOM 14294 O O . VAL A 1 94 ? 6.770 -12.926 0.081 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 9 +ATOM 14295 C CB . VAL A 1 94 ? 6.020 -12.318 3.251 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 9 +ATOM 14296 C CG1 . VAL A 1 94 ? 5.093 -13.445 3.692 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 9 +ATOM 14297 C CG2 . VAL A 1 94 ? 7.478 -12.768 3.284 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 9 +ATOM 14298 H H . VAL A 1 94 ? 3.728 -11.169 2.615 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 9 +ATOM 14299 H HA . VAL A 1 94 ? 6.338 -10.949 1.588 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 9 +ATOM 14300 H HB . VAL A 1 94 ? 5.901 -11.523 3.972 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 9 +ATOM 14301 H HG11 . VAL A 1 94 ? 4.081 -13.072 3.752 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 9 +ATOM 14302 H HG12 . VAL A 1 94 ? 5.402 -13.809 4.660 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 9 +ATOM 14303 H HG13 . VAL A 1 94 ? 5.136 -14.252 2.975 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 9 +ATOM 14304 H HG21 . VAL A 1 94 ? 7.712 -13.164 4.261 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 9 +ATOM 14305 H HG22 . VAL A 1 94 ? 8.121 -11.927 3.074 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 9 +ATOM 14306 H HG23 . VAL A 1 94 ? 7.633 -13.534 2.540 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 9 +ATOM 14307 N N . LYS A 1 95 ? 4.622 -13.459 0.480 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 9 +ATOM 14308 C CA . LYS A 1 95 ? 4.570 -14.468 -0.553 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 9 +ATOM 14309 C C . LYS A 1 95 ? 4.535 -13.838 -1.941 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 9 +ATOM 14310 O O . LYS A 1 95 ? 4.825 -14.496 -2.933 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 9 +ATOM 14311 C CB . LYS A 1 95 ? 3.366 -15.401 -0.364 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 9 +ATOM 14312 C CG . LYS A 1 95 ? 3.434 -16.304 0.863 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 9 +ATOM 14313 C CD . LYS A 1 95 ? 4.643 -17.227 0.812 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 9 +ATOM 14314 C CE . LYS A 1 95 ? 4.675 -18.181 1.997 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 9 +ATOM 14315 N NZ . LYS A 1 95 ? 3.525 -19.112 2.015 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 9 +ATOM 14316 H H . LYS A 1 95 ? 3.814 -13.273 1.008 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 9 +ATOM 14317 H HA . LYS A 1 95 ? 5.473 -15.054 -0.477 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 9 +ATOM 14318 H HB2 . LYS A 1 95 ? 2.480 -14.791 -0.260 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 9 +ATOM 14319 H HB3 . LYS A 1 95 ? 3.264 -16.023 -1.241 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 9 +ATOM 14320 H HG2 . LYS A 1 95 ? 3.496 -15.690 1.750 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 9 +ATOM 14321 H HG3 . LYS A 1 95 ? 2.536 -16.903 0.904 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 9 +ATOM 14322 H HD2 . LYS A 1 95 ? 4.612 -17.803 -0.100 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 9 +ATOM 14323 H HD3 . LYS A 1 95 ? 5.541 -16.627 0.826 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 9 +ATOM 14324 H HE2 . LYS A 1 95 ? 5.590 -18.755 1.964 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 9 +ATOM 14325 H HE3 . LYS A 1 95 ? 4.661 -17.594 2.903 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 9 +ATOM 14326 H HZ1 . LYS A 1 95 ? 3.476 -19.673 1.141 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 9 +ATOM 14327 H HZ2 . LYS A 1 95 ? 2.625 -18.607 2.125 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 9 +ATOM 14328 H HZ3 . LYS A 1 95 ? 3.619 -19.775 2.811 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 9 +ATOM 14329 N N . ARG A 1 96 ? 4.212 -12.570 -2.015 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 9 +ATOM 14330 C CA . ARG A 1 96 ? 4.116 -11.911 -3.296 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 9 +ATOM 14331 C C . ARG A 1 96 ? 5.443 -11.259 -3.682 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 9 +ATOM 14332 O O . ARG A 1 96 ? 5.699 -10.974 -4.856 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 9 +ATOM 14333 C CB . ARG A 1 96 ? 2.961 -10.903 -3.303 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 9 +ATOM 14334 C CG . ARG A 1 96 ? 2.640 -10.313 -4.665 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 9 +ATOM 14335 C CD . ARG A 1 96 ? 2.272 -11.403 -5.663 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 9 +ATOM 14336 N NE . ARG A 1 96 ? 1.914 -10.844 -6.950 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 9 +ATOM 14337 C CZ . ARG A 1 96 ? 1.670 -11.516 -8.061 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 9 +ATOM 14338 N NH1 . ARG A 1 96 ? 1.648 -12.839 -8.066 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 9 +ATOM 14339 N NH2 . ARG A 1 96 ? 1.436 -10.843 -9.171 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 9 +ATOM 14340 H H . ARG A 1 96 ? 4.024 -12.063 -1.195 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 9 +ATOM 14341 H HA . ARG A 1 96 ? 3.913 -12.681 -4.018 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 9 +ATOM 14342 H HB2 . ARG A 1 96 ? 2.074 -11.398 -2.934 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 9 +ATOM 14343 H HB3 . ARG A 1 96 ? 3.209 -10.094 -2.632 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 9 +ATOM 14344 H HG2 . ARG A 1 96 ? 1.810 -9.629 -4.571 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 9 +ATOM 14345 H HG3 . ARG A 1 96 ? 3.506 -9.783 -5.030 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 9 +ATOM 14346 H HD2 . ARG A 1 96 ? 3.125 -12.052 -5.802 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 9 +ATOM 14347 H HD3 . ARG A 1 96 ? 1.442 -11.975 -5.278 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 9 +ATOM 14348 H HE . ARG A 1 96 ? 1.875 -9.853 -6.995 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 9 +ATOM 14349 H HH11 . ARG A 1 96 ? 1.815 -13.386 -7.244 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 9 +ATOM 14350 H HH12 . ARG A 1 96 ? 1.466 -13.353 -8.909 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 9 +ATOM 14351 H HH21 . ARG A 1 96 ? 1.446 -9.838 -9.132 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 9 +ATOM 14352 H HH22 . ARG A 1 96 ? 1.280 -11.286 -10.058 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 9 +ATOM 14353 N N . ILE A 1 97 ? 6.285 -11.052 -2.708 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 9 +ATOM 14354 C CA . ILE A 1 97 ? 7.577 -10.434 -2.937 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 9 +ATOM 14355 C C . ILE A 1 97 ? 8.540 -11.432 -3.579 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 9 +ATOM 14356 O O . ILE A 1 97 ? 9.200 -11.124 -4.584 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 9 +ATOM 14357 C CB . ILE A 1 97 ? 8.152 -9.887 -1.612 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 9 +ATOM 14358 C CG1 . ILE A 1 97 ? 7.183 -8.849 -1.048 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 9 +ATOM 14359 C CG2 . ILE A 1 97 ? 9.539 -9.270 -1.826 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 9 +ATOM 14360 C CD1 . ILE A 1 97 ? 7.479 -8.433 0.360 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 9 +ATOM 14361 H H . ILE A 1 97 ? 6.026 -11.321 -1.802 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 9 +ATOM 14362 H HA . ILE A 1 97 ? 7.429 -9.609 -3.617 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 9 +ATOM 14363 H HB . ILE A 1 97 ? 8.233 -10.701 -0.907 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 9 +ATOM 14364 H HG12 . ILE A 1 97 ? 7.220 -7.963 -1.665 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 9 +ATOM 14365 H HG13 . ILE A 1 97 ? 6.183 -9.255 -1.075 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 9 +ATOM 14366 H HG21 . ILE A 1 97 ? 10.210 -10.026 -2.207 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 9 +ATOM 14367 H HG22 . ILE A 1 97 ? 9.915 -8.892 -0.887 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 9 +ATOM 14368 H HG23 . ILE A 1 97 ? 9.465 -8.461 -2.537 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 9 +ATOM 14369 H HD11 . ILE A 1 97 ? 7.423 -9.315 0.981 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 9 +ATOM 14370 H HD12 . ILE A 1 97 ? 6.729 -7.722 0.674 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 9 +ATOM 14371 H HD13 . ILE A 1 97 ? 8.467 -8.004 0.413 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 9 +ATOM 14372 N N . LEU A 1 98 ? 8.582 -12.625 -3.043 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 9 +ATOM 14373 C CA . LEU A 1 98 ? 9.472 -13.641 -3.544 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 9 +ATOM 14374 C C . LEU A 1 98 ? 8.615 -14.678 -4.269 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 9 +ATOM 14375 O O . LEU A 1 98 ? 8.065 -15.563 -3.614 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 9 +ATOM 14376 C CB . LEU A 1 98 ? 10.259 -14.268 -2.354 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 9 +ATOM 14377 C CG . LEU A 1 98 ? 11.598 -15.007 -2.653 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 9 +ATOM 14378 C CD1 . LEU A 1 98 ? 11.422 -16.236 -3.533 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 9 +ATOM 14379 C CD2 . LEU A 1 98 ? 12.614 -14.052 -3.266 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 9 +ATOM 14380 O OXT . LEU A 1 98 ? 8.441 -14.581 -5.498 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 9 +ATOM 14381 H H . LEU A 1 98 ? 7.986 -12.857 -2.301 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 9 +ATOM 14382 H HA . LEU A 1 98 ? 10.158 -13.186 -4.241 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 9 +ATOM 14383 H HB2 . LEU A 1 98 ? 10.477 -13.475 -1.654 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 9 +ATOM 14384 H HB3 . LEU A 1 98 ? 9.598 -14.967 -1.862 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 9 +ATOM 14385 H HG . LEU A 1 98 ? 12.006 -15.354 -1.715 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 9 +ATOM 14386 H HD11 . LEU A 1 98 ? 12.389 -16.675 -3.732 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 9 +ATOM 14387 H HD12 . LEU A 1 98 ? 10.950 -15.950 -4.461 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 9 +ATOM 14388 H HD13 . LEU A 1 98 ? 10.804 -16.954 -3.016 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 9 +ATOM 14389 H HD21 . LEU A 1 98 ? 12.230 -13.667 -4.197 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 9 +ATOM 14390 H HD22 . LEU A 1 98 ? 13.540 -14.578 -3.445 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 9 +ATOM 14391 H HD23 . LEU A 1 98 ? 12.796 -13.234 -2.585 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 9 +ATOM 14392 N N . MET A 1 4 ? 10.111 16.435 -4.382 1.00 0.00 ? ? ? ? ? ? 1 MET A N 10 +ATOM 14393 C CA . MET A 1 4 ? 10.441 15.028 -4.427 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 10 +ATOM 14394 C C . MET A 1 4 ? 9.175 14.236 -4.309 1.00 0.00 ? ? ? ? ? ? 1 MET A C 10 +ATOM 14395 O O . MET A 1 4 ? 8.344 14.505 -3.438 1.00 0.00 ? ? ? ? ? ? 1 MET A O 10 +ATOM 14396 C CB . MET A 1 4 ? 11.359 14.646 -3.274 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 10 +ATOM 14397 C CG . MET A 1 4 ? 11.947 13.242 -3.370 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 10 +ATOM 14398 S SD . MET A 1 4 ? 12.927 12.797 -1.912 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 10 +ATOM 14399 C CE . MET A 1 4 ? 13.585 11.200 -2.413 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 10 +ATOM 14400 H H . MET A 1 4 ? 10.962 17.024 -4.451 1.00 0.00 ? ? ? ? ? ? 1 MET A H 10 +ATOM 14401 H HA . MET A 1 4 ? 10.929 14.813 -5.365 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 10 +ATOM 14402 H HB2 . MET A 1 4 ? 12.167 15.355 -3.215 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 10 +ATOM 14403 H HB3 . MET A 1 4 ? 10.762 14.694 -2.378 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 10 +ATOM 14404 H HG2 . MET A 1 4 ? 11.141 12.533 -3.478 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 10 +ATOM 14405 H HG3 . MET A 1 4 ? 12.583 13.199 -4.242 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 10 +ATOM 14406 H HE1 . MET A 1 4 ? 14.180 10.789 -1.611 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 10 +ATOM 14407 H HE2 . MET A 1 4 ? 14.208 11.327 -3.286 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 10 +ATOM 14408 H HE3 . MET A 1 4 ? 12.773 10.526 -2.644 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 10 +ATOM 14409 N N . ALA A 1 5 ? 9.026 13.279 -5.158 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 10 +ATOM 14410 C CA . ALA A 1 5 ? 7.877 12.414 -5.148 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 10 +ATOM 14411 C C . ALA A 1 5 ? 8.265 11.075 -5.685 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 10 +ATOM 14412 O O . ALA A 1 5 ? 8.996 10.990 -6.674 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 10 +ATOM 14413 C CB . ALA A 1 5 ? 6.729 12.994 -5.966 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 10 +ATOM 14414 H H . ALA A 1 5 ? 9.735 13.138 -5.825 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 10 +ATOM 14415 H HA . ALA A 1 5 ? 7.551 12.302 -4.124 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 10 +ATOM 14416 H HB1 . ALA A 1 5 ? 6.477 13.975 -5.592 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 10 +ATOM 14417 H HB2 . ALA A 1 5 ? 5.869 12.345 -5.881 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 10 +ATOM 14418 H HB3 . ALA A 1 5 ? 7.019 13.064 -7.004 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 10 +ATOM 14419 N N . TYR A 1 6 ? 7.821 10.050 -5.031 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 10 +ATOM 14420 C CA . TYR A 1 6 ? 8.086 8.701 -5.463 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 10 +ATOM 14421 C C . TYR A 1 6 ? 7.019 8.265 -6.448 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 10 +ATOM 14422 O O . TYR A 1 6 ? 5.963 8.920 -6.578 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 10 +ATOM 14423 C CB . TYR A 1 6 ? 8.111 7.736 -4.263 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 10 +ATOM 14424 C CG . TYR A 1 6 ? 9.300 7.877 -3.320 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 10 +ATOM 14425 C CD1 . TYR A 1 6 ? 9.595 9.083 -2.690 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 10 +ATOM 14426 C CD2 . TYR A 1 6 ? 10.111 6.783 -3.039 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 10 +ATOM 14427 C CE1 . TYR A 1 6 ? 10.657 9.194 -1.819 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 10 +ATOM 14428 C CE2 . TYR A 1 6 ? 11.179 6.888 -2.169 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 10 +ATOM 14429 C CZ . TYR A 1 6 ? 11.448 8.096 -1.563 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 10 +ATOM 14430 O OH . TYR A 1 6 ? 12.501 8.203 -0.681 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 10 +ATOM 14431 H H . TYR A 1 6 ? 7.280 10.194 -4.226 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 10 +ATOM 14432 H HA . TYR A 1 6 ? 9.051 8.683 -5.948 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 10 +ATOM 14433 H HB2 . TYR A 1 6 ? 7.218 7.882 -3.676 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 10 +ATOM 14434 H HB3 . TYR A 1 6 ? 8.109 6.725 -4.644 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 10 +ATOM 14435 H HD1 . TYR A 1 6 ? 8.975 9.943 -2.897 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 10 +ATOM 14436 H HD2 . TYR A 1 6 ? 9.898 5.837 -3.516 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 10 +ATOM 14437 H HE1 . TYR A 1 6 ? 10.867 10.140 -1.340 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 10 +ATOM 14438 H HE2 . TYR A 1 6 ? 11.800 6.028 -1.966 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 10 +ATOM 14439 H HH . TYR A 1 6 ? 13.236 7.654 -1.011 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 10 +ATOM 14440 N N . PHE A 1 7 ? 7.286 7.201 -7.149 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 10 +ATOM 14441 C CA . PHE A 1 7 ? 6.317 6.633 -8.048 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 10 +ATOM 14442 C C . PHE A 1 7 ? 5.392 5.744 -7.249 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 10 +ATOM 14443 O O . PHE A 1 7 ? 5.752 5.304 -6.170 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 10 +ATOM 14444 C CB . PHE A 1 7 ? 7.003 5.809 -9.140 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 10 +ATOM 14445 C CG . PHE A 1 7 ? 7.959 6.580 -9.999 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 10 +ATOM 14446 C CD1 . PHE A 1 7 ? 7.536 7.690 -10.702 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 10 +ATOM 14447 C CD2 . PHE A 1 7 ? 9.277 6.174 -10.122 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 10 +ATOM 14448 C CE1 . PHE A 1 7 ? 8.407 8.385 -11.510 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 10 +ATOM 14449 C CE2 . PHE A 1 7 ? 10.155 6.868 -10.926 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 10 +ATOM 14450 C CZ . PHE A 1 7 ? 9.719 7.975 -11.623 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 10 +ATOM 14451 H H . PHE A 1 7 ? 8.167 6.771 -7.056 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 10 +ATOM 14452 H HA . PHE A 1 7 ? 5.750 7.433 -8.499 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 10 +ATOM 14453 H HB2 . PHE A 1 7 ? 7.570 5.020 -8.668 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 10 +ATOM 14454 H HB3 . PHE A 1 7 ? 6.255 5.363 -9.777 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 10 +ATOM 14455 H HD1 . PHE A 1 7 ? 6.510 8.015 -10.612 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 10 +ATOM 14456 H HD2 . PHE A 1 7 ? 9.619 5.307 -9.576 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 10 +ATOM 14457 H HE1 . PHE A 1 7 ? 8.057 9.250 -12.051 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 10 +ATOM 14458 H HE2 . PHE A 1 7 ? 11.182 6.544 -11.012 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 10 +ATOM 14459 H HZ . PHE A 1 7 ? 10.402 8.520 -12.257 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 10 +ATOM 14460 N N . LEU A 1 8 ? 4.223 5.500 -7.744 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 10 +ATOM 14461 C CA . LEU A 1 8 ? 3.285 4.636 -7.063 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 10 +ATOM 14462 C C . LEU A 1 8 ? 2.867 3.570 -8.059 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 10 +ATOM 14463 O O . LEU A 1 8 ? 2.503 3.897 -9.200 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 10 +ATOM 14464 C CB . LEU A 1 8 ? 2.056 5.467 -6.577 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 10 +ATOM 14465 C CG . LEU A 1 8 ? 1.122 4.865 -5.475 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 10 +ATOM 14466 C CD1 . LEU A 1 8 ? 0.438 3.583 -5.894 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 10 +ATOM 14467 C CD2 . LEU A 1 8 ? 1.868 4.655 -4.175 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 10 +ATOM 14468 H H . LEU A 1 8 ? 3.964 5.890 -8.607 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 10 +ATOM 14469 H HA . LEU A 1 8 ? 3.780 4.177 -6.221 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 10 +ATOM 14470 H HB2 . LEU A 1 8 ? 2.428 6.410 -6.208 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 10 +ATOM 14471 H HB3 . LEU A 1 8 ? 1.450 5.677 -7.447 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 10 +ATOM 14472 H HG . LEU A 1 8 ? 0.336 5.581 -5.281 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 10 +ATOM 14473 H HD11 . LEU A 1 8 ? -0.223 3.770 -6.728 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 10 +ATOM 14474 H HD12 . LEU A 1 8 ? -0.116 3.188 -5.054 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 10 +ATOM 14475 H HD13 . LEU A 1 8 ? 1.190 2.863 -6.184 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 10 +ATOM 14476 H HD21 . LEU A 1 8 ? 2.712 4.003 -4.342 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 10 +ATOM 14477 H HD22 . LEU A 1 8 ? 1.203 4.186 -3.465 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 10 +ATOM 14478 H HD23 . LEU A 1 8 ? 2.204 5.601 -3.780 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 10 +ATOM 14479 N N . ASP A 1 9 ? 2.956 2.325 -7.681 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 10 +ATOM 14480 C CA . ASP A 1 9 ? 2.536 1.248 -8.557 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 10 +ATOM 14481 C C . ASP A 1 9 ? 1.828 0.186 -7.742 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 10 +ATOM 14482 O O . ASP A 1 9 ? 2.026 0.097 -6.531 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 10 +ATOM 14483 C CB . ASP A 1 9 ? 3.727 0.657 -9.329 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 10 +ATOM 14484 C CG . ASP A 1 9 ? 3.305 -0.300 -10.434 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 10 +ATOM 14485 O OD1 . ASP A 1 9 ? 2.173 -0.175 -10.946 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 10 +ATOM 14486 O OD2 . ASP A 1 9 ? 4.101 -1.172 -10.827 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 10 +ATOM 14487 H H . ASP A 1 9 ? 3.305 2.102 -6.786 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 10 +ATOM 14488 H HA . ASP A 1 9 ? 1.827 1.664 -9.258 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 10 +ATOM 14489 H HB2 . ASP A 1 9 ? 4.298 1.458 -9.775 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 10 +ATOM 14490 H HB3 . ASP A 1 9 ? 4.350 0.119 -8.632 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 10 +ATOM 14491 N N . PHE A 1 10 ? 1.008 -0.593 -8.384 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 10 +ATOM 14492 C CA . PHE A 1 10 ? 0.221 -1.610 -7.717 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 10 +ATOM 14493 C C . PHE A 1 10 ? 0.551 -2.980 -8.269 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 10 +ATOM 14494 O O . PHE A 1 10 ? 0.785 -3.131 -9.480 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 10 +ATOM 14495 C CB . PHE A 1 10 ? -1.285 -1.380 -7.938 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 10 +ATOM 14496 C CG . PHE A 1 10 ? -1.863 -0.098 -7.403 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 10 +ATOM 14497 C CD1 . PHE A 1 10 ? -1.839 1.062 -8.161 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 10 +ATOM 14498 C CD2 . PHE A 1 10 ? -2.462 -0.065 -6.156 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 10 +ATOM 14499 C CE1 . PHE A 1 10 ? -2.398 2.229 -7.682 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 10 +ATOM 14500 C CE2 . PHE A 1 10 ? -3.019 1.100 -5.670 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 10 +ATOM 14501 C CZ . PHE A 1 10 ? -2.989 2.248 -6.435 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 10 +ATOM 14502 H H . PHE A 1 10 ? 0.968 -0.500 -9.362 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 10 +ATOM 14503 H HA . PHE A 1 10 ? 0.422 -1.576 -6.657 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 10 +ATOM 14504 H HB2 . PHE A 1 10 ? -1.477 -1.388 -9.001 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 10 +ATOM 14505 H HB3 . PHE A 1 10 ? -1.825 -2.203 -7.492 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 10 +ATOM 14506 H HD1 . PHE A 1 10 ? -1.374 1.050 -9.135 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 10 +ATOM 14507 H HD2 . PHE A 1 10 ? -2.487 -0.962 -5.557 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 10 +ATOM 14508 H HE1 . PHE A 1 10 ? -2.373 3.127 -8.282 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 10 +ATOM 14509 H HE2 . PHE A 1 10 ? -3.480 1.112 -4.693 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 10 +ATOM 14510 H HZ . PHE A 1 10 ? -3.428 3.162 -6.059 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 10 +ATOM 14511 N N . ASP A 1 11 ? 0.579 -3.962 -7.396 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 10 +ATOM 14512 C CA . ASP A 1 11 ? 0.698 -5.367 -7.794 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 10 +ATOM 14513 C C . ASP A 1 11 ? -0.587 -5.773 -8.519 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 10 +ATOM 14514 O O . ASP A 1 11 ? -1.627 -5.144 -8.304 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 10 +ATOM 14515 C CB . ASP A 1 11 ? 0.896 -6.255 -6.553 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 10 +ATOM 14516 C CG . ASP A 1 11 ? 1.025 -7.719 -6.896 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 10 +ATOM 14517 O OD1 . ASP A 1 11 ? 0.006 -8.405 -6.972 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 10 +ATOM 14518 O OD2 . ASP A 1 11 ? 2.149 -8.195 -7.101 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 10 +ATOM 14519 H H . ASP A 1 11 ? 0.538 -3.746 -6.436 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 10 +ATOM 14520 H HA . ASP A 1 11 ? 1.541 -5.468 -8.461 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 10 +ATOM 14521 H HB2 . ASP A 1 11 ? 1.793 -5.948 -6.036 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 10 +ATOM 14522 H HB3 . ASP A 1 11 ? 0.050 -6.131 -5.894 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 10 +ATOM 14523 N N . GLU A 1 12 ? -0.533 -6.778 -9.384 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 10 +ATOM 14524 C CA . GLU A 1 12 ? -1.721 -7.204 -10.109 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 10 +ATOM 14525 C C . GLU A 1 12 ? -2.863 -7.657 -9.181 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 10 +ATOM 14526 O O . GLU A 1 12 ? -4.026 -7.468 -9.509 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 10 +ATOM 14527 C CB . GLU A 1 12 ? -1.395 -8.209 -11.244 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 10 +ATOM 14528 C CG . GLU A 1 12 ? -0.693 -9.514 -10.849 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 10 +ATOM 14529 C CD . GLU A 1 12 ? -1.597 -10.560 -10.221 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 10 +ATOM 14530 O OE1 . GLU A 1 12 ? -2.779 -10.657 -10.602 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 10 +ATOM 14531 O OE2 . GLU A 1 12 ? -1.118 -11.343 -9.387 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 10 +ATOM 14532 H H . GLU A 1 12 ? 0.316 -7.249 -9.523 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 10 +ATOM 14533 H HA . GLU A 1 12 ? -2.085 -6.293 -10.563 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 10 +ATOM 14534 H HB2 . GLU A 1 12 ? -2.324 -8.485 -11.719 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 10 +ATOM 14535 H HB3 . GLU A 1 12 ? -0.781 -7.702 -11.975 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 10 +ATOM 14536 H HG2 . GLU A 1 12 ? -0.212 -9.948 -11.713 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 10 +ATOM 14537 H HG3 . GLU A 1 12 ? 0.059 -9.249 -10.123 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 10 +ATOM 14538 N N . ARG A 1 13 ? -2.524 -8.189 -8.001 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 10 +ATOM 14539 C CA . ARG A 1 13 ? -3.541 -8.566 -7.015 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 10 +ATOM 14540 C C . ARG A 1 13 ? -4.122 -7.306 -6.438 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 10 +ATOM 14541 O O . ARG A 1 13 ? -5.337 -7.159 -6.316 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 10 +ATOM 14542 C CB . ARG A 1 13 ? -2.935 -9.382 -5.871 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 10 +ATOM 14543 C CG . ARG A 1 13 ? -2.233 -10.634 -6.311 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 10 +ATOM 14544 C CD . ARG A 1 13 ? -3.179 -11.668 -6.862 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 10 +ATOM 14545 N NE . ARG A 1 13 ? -2.420 -12.740 -7.489 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 10 +ATOM 14546 C CZ . ARG A 1 13 ? -2.357 -14.009 -7.081 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 10 +ATOM 14547 N NH1 . ARG A 1 13 ? -3.002 -14.396 -5.984 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 10 +ATOM 14548 N NH2 . ARG A 1 13 ? -1.627 -14.884 -7.764 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 10 +ATOM 14549 H H . ARG A 1 13 ? -1.570 -8.323 -7.779 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 10 +ATOM 14550 H HA . ARG A 1 13 ? -4.315 -9.136 -7.504 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 10 +ATOM 14551 H HB2 . ARG A 1 13 ? -2.220 -8.764 -5.346 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 10 +ATOM 14552 H HB3 . ARG A 1 13 ? -3.724 -9.656 -5.187 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 10 +ATOM 14553 H HG2 . ARG A 1 13 ? -1.533 -10.370 -7.090 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 10 +ATOM 14554 H HG3 . ARG A 1 13 ? -1.697 -11.051 -5.471 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 10 +ATOM 14555 H HD2 . ARG A 1 13 ? -3.782 -12.065 -6.060 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 10 +ATOM 14556 H HD3 . ARG A 1 13 ? -3.815 -11.211 -7.605 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 10 +ATOM 14557 H HE . ARG A 1 13 ? -1.926 -12.411 -8.285 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 10 +ATOM 14558 H HH11 . ARG A 1 13 ? -3.550 -13.760 -5.433 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 10 +ATOM 14559 H HH12 . ARG A 1 13 ? -2.979 -15.338 -5.644 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 10 +ATOM 14560 H HH21 . ARG A 1 13 ? -1.116 -14.617 -8.588 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 10 +ATOM 14561 H HH22 . ARG A 1 13 ? -1.535 -15.846 -7.502 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 10 +ATOM 14562 N N . ALA A 1 14 ? -3.231 -6.367 -6.149 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 10 +ATOM 14563 C CA . ALA A 1 14 ? -3.591 -5.101 -5.554 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 10 +ATOM 14564 C C . ALA A 1 14 ? -4.512 -4.312 -6.467 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 10 +ATOM 14565 O O . ALA A 1 14 ? -5.421 -3.674 -5.994 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 10 +ATOM 14566 C CB . ALA A 1 14 ? -2.351 -4.293 -5.198 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 10 +ATOM 14567 H H . ALA A 1 14 ? -2.293 -6.546 -6.372 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 10 +ATOM 14568 H HA . ALA A 1 14 ? -4.127 -5.318 -4.642 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 10 +ATOM 14569 H HB1 . ALA A 1 14 ? -2.645 -3.380 -4.702 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 10 +ATOM 14570 H HB2 . ALA A 1 14 ? -1.806 -4.058 -6.099 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 10 +ATOM 14571 H HB3 . ALA A 1 14 ? -1.720 -4.874 -4.540 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 10 +ATOM 14572 N N . LEU A 1 15 ? -4.291 -4.401 -7.780 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 10 +ATOM 14573 C CA . LEU A 1 15 ? -5.139 -3.726 -8.754 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 10 +ATOM 14574 C C . LEU A 1 15 ? -6.550 -4.258 -8.695 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 10 +ATOM 14575 O O . LEU A 1 15 ? -7.520 -3.494 -8.703 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 10 +ATOM 14576 C CB . LEU A 1 15 ? -4.596 -3.904 -10.170 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 10 +ATOM 14577 C CG . LEU A 1 15 ? -3.385 -3.065 -10.557 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 10 +ATOM 14578 C CD1 . LEU A 1 15 ? -2.891 -3.482 -11.934 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 10 +ATOM 14579 C CD2 . LEU A 1 15 ? -3.758 -1.581 -10.566 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 10 +ATOM 14580 H H . LEU A 1 15 ? -3.535 -4.939 -8.107 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 10 +ATOM 14581 H HA . LEU A 1 15 ? -5.152 -2.675 -8.516 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 10 +ATOM 14582 H HB2 . LEU A 1 15 ? -4.330 -4.944 -10.289 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 10 +ATOM 14583 H HB3 . LEU A 1 15 ? -5.396 -3.683 -10.855 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 10 +ATOM 14584 H HG . LEU A 1 15 ? -2.590 -3.215 -9.842 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 10 +ATOM 14585 H HD11 . LEU A 1 15 ? -2.037 -2.885 -12.212 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 10 +ATOM 14586 H HD12 . LEU A 1 15 ? -3.679 -3.338 -12.659 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 10 +ATOM 14587 H HD13 . LEU A 1 15 ? -2.610 -4.524 -11.917 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 10 +ATOM 14588 H HD21 . LEU A 1 15 ? -2.897 -0.992 -10.847 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 10 +ATOM 14589 H HD22 . LEU A 1 15 ? -4.104 -1.272 -9.591 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 10 +ATOM 14590 H HD23 . LEU A 1 15 ? -4.548 -1.414 -11.283 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 10 +ATOM 14591 N N . LYS A 1 16 ? -6.651 -5.559 -8.598 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 10 +ATOM 14592 C CA . LYS A 1 16 ? -7.927 -6.229 -8.559 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 10 +ATOM 14593 C C . LYS A 1 16 ? -8.666 -5.868 -7.297 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 10 +ATOM 14594 O O . LYS A 1 16 ? -9.834 -5.521 -7.350 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 10 +ATOM 14595 C CB . LYS A 1 16 ? -7.705 -7.725 -8.631 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 10 +ATOM 14596 C CG . LYS A 1 16 ? -7.031 -8.153 -9.909 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 10 +ATOM 14597 C CD . LYS A 1 16 ? -6.507 -9.555 -9.809 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 10 +ATOM 14598 C CE . LYS A 1 16 ? -5.844 -9.972 -11.096 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 10 +ATOM 14599 N NZ . LYS A 1 16 ? -5.312 -11.341 -11.022 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 10 +ATOM 14600 H H . LYS A 1 16 ? -5.831 -6.095 -8.544 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 10 +ATOM 14601 H HA . LYS A 1 16 ? -8.504 -5.923 -9.418 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 10 +ATOM 14602 H HB2 . LYS A 1 16 ? -7.082 -8.022 -7.800 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 10 +ATOM 14603 H HB3 . LYS A 1 16 ? -8.657 -8.228 -8.561 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 10 +ATOM 14604 H HG2 . LYS A 1 16 ? -7.745 -8.105 -10.718 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 10 +ATOM 14605 H HG3 . LYS A 1 16 ? -6.209 -7.483 -10.114 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 10 +ATOM 14606 H HD2 . LYS A 1 16 ? -5.773 -9.572 -9.016 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 10 +ATOM 14607 H HD3 . LYS A 1 16 ? -7.322 -10.226 -9.584 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 10 +ATOM 14608 H HE2 . LYS A 1 16 ? -6.552 -9.909 -11.907 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 10 +ATOM 14609 H HE3 . LYS A 1 16 ? -5.017 -9.299 -11.279 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 10 +ATOM 14610 H HZ1 . LYS A 1 16 ? -4.408 -11.319 -10.501 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 10 +ATOM 14611 H HZ2 . LYS A 1 16 ? -5.135 -11.718 -11.977 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 10 +ATOM 14612 H HZ3 . LYS A 1 16 ? -5.974 -11.974 -10.533 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 10 +ATOM 14613 N N . GLU A 1 17 ? -7.953 -5.876 -6.176 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 10 +ATOM 14614 C CA . GLU A 1 17 ? -8.536 -5.547 -4.894 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 10 +ATOM 14615 C C . GLU A 1 17 ? -8.913 -4.061 -4.834 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 10 +ATOM 14616 O O . GLU A 1 17 ? -9.929 -3.701 -4.293 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 10 +ATOM 14617 C CB . GLU A 1 17 ? -7.568 -5.892 -3.772 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 10 +ATOM 14618 C CG . GLU A 1 17 ? -7.119 -7.347 -3.758 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 10 +ATOM 14619 C CD . GLU A 1 17 ? -8.247 -8.339 -3.601 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 10 +ATOM 14620 O OE1 . GLU A 1 17 ? -8.840 -8.438 -2.498 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 10 +ATOM 14621 O OE2 . GLU A 1 17 ? -8.553 -9.055 -4.560 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 10 +ATOM 14622 H H . GLU A 1 17 ? -7.006 -6.142 -6.201 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 10 +ATOM 14623 H HA . GLU A 1 17 ? -9.425 -6.147 -4.784 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 10 +ATOM 14624 H HB2 . GLU A 1 17 ? -6.689 -5.272 -3.880 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 10 +ATOM 14625 H HB3 . GLU A 1 17 ? -8.039 -5.669 -2.827 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 10 +ATOM 14626 H HG2 . GLU A 1 17 ? -6.635 -7.547 -4.703 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 10 +ATOM 14627 H HG3 . GLU A 1 17 ? -6.397 -7.489 -2.970 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 10 +ATOM 14628 N N . TRP A 1 18 ? -8.087 -3.233 -5.426 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 10 +ATOM 14629 C CA . TRP A 1 18 ? -8.280 -1.784 -5.483 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 10 +ATOM 14630 C C . TRP A 1 18 ? -9.563 -1.428 -6.252 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 10 +ATOM 14631 O O . TRP A 1 18 ? -10.360 -0.580 -5.827 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 10 +ATOM 14632 C CB . TRP A 1 18 ? -7.043 -1.174 -6.161 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 10 +ATOM 14633 C CG . TRP A 1 18 ? -7.046 0.295 -6.345 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 10 +ATOM 14634 C CD1 . TRP A 1 18 ? -7.214 0.965 -7.516 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 10 +ATOM 14635 C CD2 . TRP A 1 18 ? -6.849 1.282 -5.338 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 10 +ATOM 14636 N NE1 . TRP A 1 18 ? -7.139 2.311 -7.297 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 10 +ATOM 14637 C CE2 . TRP A 1 18 ? -6.917 2.533 -5.967 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 10 +ATOM 14638 C CE3 . TRP A 1 18 ? -6.623 1.226 -3.962 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 10 +ATOM 14639 C CZ2 . TRP A 1 18 ? -6.768 3.719 -5.271 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 10 +ATOM 14640 C CZ3 . TRP A 1 18 ? -6.474 2.404 -3.272 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 10 +ATOM 14641 C CH2 . TRP A 1 18 ? -6.547 3.635 -3.926 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 10 +ATOM 14642 H H . TRP A 1 18 ? -7.274 -3.603 -5.836 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 10 +ATOM 14643 H HA . TRP A 1 18 ? -8.350 -1.402 -4.474 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 10 +ATOM 14644 H HB2 . TRP A 1 18 ? -6.173 -1.413 -5.569 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 10 +ATOM 14645 H HB3 . TRP A 1 18 ? -6.928 -1.636 -7.130 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 10 +ATOM 14646 H HD1 . TRP A 1 18 ? -7.374 0.481 -8.469 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 10 +ATOM 14647 H HE1 . TRP A 1 18 ? -7.234 2.999 -7.992 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 10 +ATOM 14648 H HE3 . TRP A 1 18 ? -6.566 0.281 -3.444 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 10 +ATOM 14649 H HZ2 . TRP A 1 18 ? -6.824 4.676 -5.768 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 10 +ATOM 14650 H HZ3 . TRP A 1 18 ? -6.297 2.383 -2.207 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 10 +ATOM 14651 H HH2 . TRP A 1 18 ? -6.422 4.535 -3.342 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 10 +ATOM 14652 N N . ARG A 1 19 ? -9.756 -2.073 -7.375 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 10 +ATOM 14653 C CA . ARG A 1 19 ? -10.938 -1.850 -8.183 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 10 +ATOM 14654 C C . ARG A 1 19 ? -12.163 -2.525 -7.556 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 10 +ATOM 14655 O O . ARG A 1 19 ? -13.299 -2.124 -7.795 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 10 +ATOM 14656 C CB . ARG A 1 19 ? -10.691 -2.310 -9.609 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 10 +ATOM 14657 C CG . ARG A 1 19 ? -9.551 -1.549 -10.274 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 10 +ATOM 14658 C CD . ARG A 1 19 ? -9.269 -2.065 -11.662 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 10 +ATOM 14659 N NE . ARG A 1 19 ? -8.079 -1.440 -12.259 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 10 +ATOM 14660 C CZ . ARG A 1 19 ? -7.345 -1.997 -13.242 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 10 +ATOM 14661 N NH1 . ARG A 1 19 ? -7.727 -3.154 -13.788 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 10 +ATOM 14662 N NH2 . ARG A 1 19 ? -6.249 -1.390 -13.682 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 10 +ATOM 14663 H H . ARG A 1 19 ? -9.070 -2.711 -7.672 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 10 +ATOM 14664 H HA . ARG A 1 19 ? -11.117 -0.784 -8.185 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 10 +ATOM 14665 H HB2 . ARG A 1 19 ? -10.445 -3.361 -9.595 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 10 +ATOM 14666 H HB3 . ARG A 1 19 ? -11.589 -2.162 -10.188 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 10 +ATOM 14667 H HG2 . ARG A 1 19 ? -9.818 -0.505 -10.337 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 10 +ATOM 14668 H HG3 . ARG A 1 19 ? -8.664 -1.656 -9.667 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 10 +ATOM 14669 H HD2 . ARG A 1 19 ? -9.108 -3.131 -11.604 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 10 +ATOM 14670 H HD3 . ARG A 1 19 ? -10.124 -1.858 -12.289 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 10 +ATOM 14671 H HE . ARG A 1 19 ? -7.828 -0.571 -11.871 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 10 +ATOM 14672 H HH11 . ARG A 1 19 ? -8.557 -3.638 -13.501 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 10 +ATOM 14673 H HH12 . ARG A 1 19 ? -7.203 -3.616 -14.510 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 10 +ATOM 14674 H HH21 . ARG A 1 19 ? -5.941 -0.514 -13.300 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 10 +ATOM 14675 H HH22 . ARG A 1 19 ? -5.678 -1.781 -14.409 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 10 +ATOM 14676 N N . LYS A 1 20 ? -11.895 -3.516 -6.741 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 10 +ATOM 14677 C CA . LYS A 1 20 ? -12.886 -4.281 -5.979 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 10 +ATOM 14678 C C . LYS A 1 20 ? -13.369 -3.484 -4.765 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 10 +ATOM 14679 O O . LYS A 1 20 ? -14.518 -3.625 -4.322 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 10 +ATOM 14680 C CB . LYS A 1 20 ? -12.194 -5.566 -5.533 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 10 +ATOM 14681 C CG . LYS A 1 20 ? -12.838 -6.375 -4.444 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 10 +ATOM 14682 C CD . LYS A 1 20 ? -11.912 -7.514 -4.075 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 10 +ATOM 14683 C CE . LYS A 1 20 ? -12.392 -8.279 -2.879 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 10 +ATOM 14684 N NZ . LYS A 1 20 ? -11.462 -9.375 -2.536 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 10 +ATOM 14685 H H . LYS A 1 20 ? -10.955 -3.779 -6.640 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 10 +ATOM 14686 H HA . LYS A 1 20 ? -13.716 -4.537 -6.619 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 10 +ATOM 14687 H HB2 . LYS A 1 20 ? -12.090 -6.210 -6.393 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 10 +ATOM 14688 H HB3 . LYS A 1 20 ? -11.202 -5.288 -5.207 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 10 +ATOM 14689 H HG2 . LYS A 1 20 ? -13.001 -5.746 -3.582 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 10 +ATOM 14690 H HG3 . LYS A 1 20 ? -13.773 -6.777 -4.800 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 10 +ATOM 14691 H HD2 . LYS A 1 20 ? -11.845 -8.193 -4.912 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 10 +ATOM 14692 H HD3 . LYS A 1 20 ? -10.934 -7.113 -3.862 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 10 +ATOM 14693 H HE2 . LYS A 1 20 ? -12.472 -7.604 -2.039 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 10 +ATOM 14694 H HE3 . LYS A 1 20 ? -13.364 -8.692 -3.101 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 10 +ATOM 14695 H HZ1 . LYS A 1 20 ? -11.794 -9.864 -1.681 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 10 +ATOM 14696 H HZ2 . LYS A 1 20 ? -10.485 -9.022 -2.417 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 10 +ATOM 14697 H HZ3 . LYS A 1 20 ? -11.443 -10.069 -3.312 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 10 +ATOM 14698 N N . LEU A 1 21 ? -12.480 -2.678 -4.235 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 10 +ATOM 14699 C CA . LEU A 1 21 ? -12.741 -1.824 -3.093 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 10 +ATOM 14700 C C . LEU A 1 21 ? -13.850 -0.834 -3.374 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 10 +ATOM 14701 O O . LEU A 1 21 ? -14.077 -0.443 -4.525 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 10 +ATOM 14702 C CB . LEU A 1 21 ? -11.472 -1.068 -2.715 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 10 +ATOM 14703 C CG . LEU A 1 21 ? -10.832 -1.408 -1.369 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 10 +ATOM 14704 C CD1 . LEU A 1 21 ? -10.473 -2.882 -1.266 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 10 +ATOM 14705 C CD2 . LEU A 1 21 ? -9.606 -0.554 -1.167 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 10 +ATOM 14706 H H . LEU A 1 21 ? -11.576 -2.674 -4.617 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 10 +ATOM 14707 H HA . LEU A 1 21 ? -13.021 -2.449 -2.258 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 10 +ATOM 14708 H HB2 . LEU A 1 21 ? -10.737 -1.249 -3.488 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 10 +ATOM 14709 H HB3 . LEU A 1 21 ? -11.710 -0.014 -2.719 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 10 +ATOM 14710 H HG . LEU A 1 21 ? -11.528 -1.171 -0.581 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 10 +ATOM 14711 H HD11 . LEU A 1 21 ? -9.778 -3.141 -2.052 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 10 +ATOM 14712 H HD12 . LEU A 1 21 ? -11.366 -3.480 -1.363 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 10 +ATOM 14713 H HD13 . LEU A 1 21 ? -10.016 -3.071 -0.306 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 10 +ATOM 14714 H HD21 . LEU A 1 21 ? -9.168 -0.779 -0.206 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 10 +ATOM 14715 H HD22 . LEU A 1 21 ? -9.892 0.487 -1.200 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 10 +ATOM 14716 H HD23 . LEU A 1 21 ? -8.889 -0.758 -1.948 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 10 +ATOM 14717 N N . GLY A 1 22 ? -14.528 -0.440 -2.329 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 10 +ATOM 14718 C CA . GLY A 1 22 ? -15.591 0.511 -2.430 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 10 +ATOM 14719 C C . GLY A 1 22 ? -15.050 1.867 -2.765 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 10 +ATOM 14720 O O . GLY A 1 22 ? -13.939 2.213 -2.330 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 10 +ATOM 14721 H H . GLY A 1 22 ? -14.286 -0.812 -1.455 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 10 +ATOM 14722 H HA2 . GLY A 1 22 ? -16.276 0.194 -3.203 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 10 +ATOM 14723 H HA3 . GLY A 1 22 ? -16.112 0.564 -1.485 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 10 +ATOM 14724 N N . SER A 1 23 ? -15.821 2.630 -3.511 1.00 0.00 ? ? ? ? ? ? 20 SER A N 10 +ATOM 14725 C CA . SER A 1 23 ? -15.438 3.938 -4.013 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 10 +ATOM 14726 C C . SER A 1 23 ? -14.861 4.844 -2.912 1.00 0.00 ? ? ? ? ? ? 20 SER A C 10 +ATOM 14727 O O . SER A 1 23 ? -13.724 5.282 -3.004 1.00 0.00 ? ? ? ? ? ? 20 SER A O 10 +ATOM 14728 C CB . SER A 1 23 ? -16.661 4.577 -4.652 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 10 +ATOM 14729 O OG . SER A 1 23 ? -17.254 3.675 -5.585 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 10 +ATOM 14730 H H . SER A 1 23 ? -16.714 2.306 -3.757 1.00 0.00 ? ? ? ? ? ? 20 SER A H 10 +ATOM 14731 H HA . SER A 1 23 ? -14.693 3.799 -4.780 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 10 +ATOM 14732 H HB2 . SER A 1 23 ? -17.380 4.813 -3.881 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 10 +ATOM 14733 H HB3 . SER A 1 23 ? -16.376 5.481 -5.168 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 10 +ATOM 14734 H HG . SER A 1 23 ? -18.177 3.950 -5.664 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 10 +ATOM 14735 N N . THR A 1 24 ? -15.608 5.019 -1.853 1.00 0.00 ? ? ? ? ? ? 21 THR A N 10 +ATOM 14736 C CA . THR A 1 24 ? -15.234 5.901 -0.756 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 10 +ATOM 14737 C C . THR A 1 24 ? -13.951 5.411 -0.057 1.00 0.00 ? ? ? ? ? ? 21 THR A C 10 +ATOM 14738 O O . THR A 1 24 ? -13.097 6.213 0.356 1.00 0.00 ? ? ? ? ? ? 21 THR A O 10 +ATOM 14739 C CB . THR A 1 24 ? -16.399 5.972 0.248 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 10 +ATOM 14740 O OG1 . THR A 1 24 ? -17.602 6.286 -0.476 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 10 +ATOM 14741 C CG2 . THR A 1 24 ? -16.161 7.044 1.310 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 10 +ATOM 14742 H H . THR A 1 24 ? -16.457 4.533 -1.798 1.00 0.00 ? ? ? ? ? ? 21 THR A H 10 +ATOM 14743 H HA . THR A 1 24 ? -15.066 6.889 -1.158 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 10 +ATOM 14744 H HB . THR A 1 24 ? -16.504 5.007 0.722 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 10 +ATOM 14745 H HG1 . THR A 1 24 ? -18.332 5.811 -0.062 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 10 +ATOM 14746 H HG21 . THR A 1 24 ? -15.250 6.827 1.845 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 10 +ATOM 14747 H HG22 . THR A 1 24 ? -16.991 7.055 2.001 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 10 +ATOM 14748 H HG23 . THR A 1 24 ? -16.079 8.011 0.835 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 10 +ATOM 14749 N N . VAL A 1 25 ? -13.797 4.104 0.009 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 10 +ATOM 14750 C CA . VAL A 1 25 ? -12.655 3.509 0.661 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 10 +ATOM 14751 C C . VAL A 1 25 ? -11.404 3.770 -0.164 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 10 +ATOM 14752 O O . VAL A 1 25 ? -10.400 4.267 0.348 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 10 +ATOM 14753 C CB . VAL A 1 25 ? -12.859 1.974 0.808 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 10 +ATOM 14754 C CG1 . VAL A 1 25 ? -11.657 1.310 1.445 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 10 +ATOM 14755 C CG2 . VAL A 1 25 ? -14.116 1.667 1.604 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 10 +ATOM 14756 H H . VAL A 1 25 ? -14.463 3.523 -0.416 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 10 +ATOM 14757 H HA . VAL A 1 25 ? -12.534 3.943 1.642 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 10 +ATOM 14758 H HB . VAL A 1 25 ? -12.982 1.566 -0.184 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 10 +ATOM 14759 H HG11 . VAL A 1 25 ? -10.772 1.525 0.863 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 10 +ATOM 14760 H HG12 . VAL A 1 25 ? -11.818 0.243 1.474 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 10 +ATOM 14761 H HG13 . VAL A 1 25 ? -11.531 1.674 2.452 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 10 +ATOM 14762 H HG21 . VAL A 1 25 ? -14.036 2.102 2.588 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 10 +ATOM 14763 H HG22 . VAL A 1 25 ? -14.233 0.597 1.692 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 10 +ATOM 14764 H HG23 . VAL A 1 25 ? -14.973 2.084 1.094 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 10 +ATOM 14765 N N . ARG A 1 26 ? -11.500 3.499 -1.444 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 10 +ATOM 14766 C CA . ARG A 1 26 ? -10.384 3.698 -2.335 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 10 +ATOM 14767 C C . ARG A 1 26 ? -10.043 5.166 -2.557 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 10 +ATOM 14768 O O . ARG A 1 26 ? -8.879 5.497 -2.711 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 10 +ATOM 14769 C CB . ARG A 1 26 ? -10.529 2.953 -3.640 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 10 +ATOM 14770 C CG . ARG A 1 26 ? -11.795 3.241 -4.385 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 10 +ATOM 14771 C CD . ARG A 1 26 ? -11.667 2.783 -5.794 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 10 +ATOM 14772 N NE . ARG A 1 26 ? -12.934 2.882 -6.520 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 10 +ATOM 14773 C CZ . ARG A 1 26 ? -13.549 1.843 -7.111 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 10 +ATOM 14774 N NH1 . ARG A 1 26 ? -12.984 0.632 -7.096 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 10 +ATOM 14775 N NH2 . ARG A 1 26 ? -14.723 2.019 -7.710 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 10 +ATOM 14776 H H . ARG A 1 26 ? -12.354 3.155 -1.792 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 10 +ATOM 14777 H HA . ARG A 1 26 ? -9.536 3.281 -1.810 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 10 +ATOM 14778 H HB2 . ARG A 1 26 ? -9.695 3.188 -4.283 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 10 +ATOM 14779 H HB3 . ARG A 1 26 ? -10.514 1.896 -3.416 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 10 +ATOM 14780 H HG2 . ARG A 1 26 ? -12.577 2.664 -3.909 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 10 +ATOM 14781 H HG3 . ARG A 1 26 ? -12.061 4.288 -4.330 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 10 +ATOM 14782 H HD2 . ARG A 1 26 ? -10.917 3.422 -6.243 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 10 +ATOM 14783 H HD3 . ARG A 1 26 ? -11.313 1.763 -5.800 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 10 +ATOM 14784 H HE . ARG A 1 26 ? -13.334 3.783 -6.542 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 10 +ATOM 14785 H HH11 . ARG A 1 26 ? -12.097 0.460 -6.656 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 10 +ATOM 14786 H HH12 . ARG A 1 26 ? -13.421 -0.173 -7.511 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 10 +ATOM 14787 H HH21 . ARG A 1 26 ? -15.169 2.916 -7.740 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 10 +ATOM 14788 H HH22 . ARG A 1 26 ? -15.222 1.262 -8.147 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 10 +ATOM 14789 N N . GLU A 1 27 ? -11.056 6.037 -2.596 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 10 +ATOM 14790 C CA . GLU A 1 27 ? -10.826 7.472 -2.767 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 10 +ATOM 14791 C C . GLU A 1 27 ? -9.924 7.996 -1.684 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 10 +ATOM 14792 O O . GLU A 1 27 ? -8.915 8.640 -1.970 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 10 +ATOM 14793 C CB . GLU A 1 27 ? -12.129 8.262 -2.772 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 10 +ATOM 14794 C CG . GLU A 1 27 ? -12.964 8.069 -4.013 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 10 +ATOM 14795 C CD . GLU A 1 27 ? -14.255 8.825 -3.948 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 10 +ATOM 14796 O OE1 . GLU A 1 27 ? -14.234 10.071 -4.026 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 10 +ATOM 14797 O OE2 . GLU A 1 27 ? -15.325 8.192 -3.855 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 10 +ATOM 14798 H H . GLU A 1 27 ? -11.982 5.714 -2.524 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 10 +ATOM 14799 H HA . GLU A 1 27 ? -10.330 7.611 -3.715 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 10 +ATOM 14800 H HB2 . GLU A 1 27 ? -12.719 7.961 -1.919 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 10 +ATOM 14801 H HB3 . GLU A 1 27 ? -11.894 9.312 -2.681 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 10 +ATOM 14802 H HG2 . GLU A 1 27 ? -12.407 8.420 -4.869 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 10 +ATOM 14803 H HG3 . GLU A 1 27 ? -13.181 7.017 -4.128 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 10 +ATOM 14804 N N . GLN A 1 28 ? -10.247 7.671 -0.451 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 10 +ATOM 14805 C CA . GLN A 1 28 ? -9.463 8.128 0.668 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 10 +ATOM 14806 C C . GLN A 1 28 ? -8.081 7.475 0.693 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 10 +ATOM 14807 O O . GLN A 1 28 ? -7.094 8.113 1.065 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 10 +ATOM 14808 C CB . GLN A 1 28 ? -10.221 7.943 1.977 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 10 +ATOM 14809 C CG . GLN A 1 28 ? -11.132 9.106 2.382 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 10 +ATOM 14810 C CD . GLN A 1 28 ? -12.032 9.620 1.273 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 10 +ATOM 14811 O OE1 . GLN A 1 28 ? -11.672 10.537 0.538 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 10 +ATOM 14812 N NE2 . GLN A 1 28 ? -13.180 9.037 1.135 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 10 +ATOM 14813 H H . GLN A 1 28 ? -11.027 7.092 -0.279 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 10 +ATOM 14814 H HA . GLN A 1 28 ? -9.307 9.185 0.512 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 10 +ATOM 14815 H HB2 . GLN A 1 28 ? -10.836 7.060 1.894 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 10 +ATOM 14816 H HB3 . GLN A 1 28 ? -9.495 7.800 2.763 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 10 +ATOM 14817 H HG2 . GLN A 1 28 ? -11.765 8.774 3.192 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 10 +ATOM 14818 H HG3 . GLN A 1 28 ? -10.510 9.914 2.736 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 10 +ATOM 14819 H HE21 . GLN A 1 28 ? -13.405 8.302 1.742 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 10 +ATOM 14820 H HE22 . GLN A 1 28 ? -13.777 9.351 0.421 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 10 +ATOM 14821 N N . LEU A 1 29 ? -8.010 6.221 0.278 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 10 +ATOM 14822 C CA . LEU A 1 29 ? -6.732 5.520 0.203 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 10 +ATOM 14823 C C . LEU A 1 29 ? -5.829 6.118 -0.862 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 10 +ATOM 14824 O O . LEU A 1 29 ? -4.639 6.295 -0.630 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 10 +ATOM 14825 C CB . LEU A 1 29 ? -6.917 4.037 -0.048 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 10 +ATOM 14826 C CG . LEU A 1 29 ? -7.511 3.218 1.111 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 10 +ATOM 14827 C CD1 . LEU A 1 29 ? -7.707 1.784 0.691 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 10 +ATOM 14828 C CD2 . LEU A 1 29 ? -6.599 3.276 2.336 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 10 +ATOM 14829 H H . LEU A 1 29 ? -8.833 5.750 0.022 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 10 +ATOM 14830 H HA . LEU A 1 29 ? -6.244 5.652 1.157 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 10 +ATOM 14831 H HB2 . LEU A 1 29 ? -7.555 3.967 -0.918 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 10 +ATOM 14832 H HB3 . LEU A 1 29 ? -5.954 3.622 -0.307 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 10 +ATOM 14833 H HG . LEU A 1 29 ? -8.476 3.619 1.385 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 10 +ATOM 14834 H HD11 . LEU A 1 29 ? -8.127 1.222 1.512 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 10 +ATOM 14835 H HD12 . LEU A 1 29 ? -6.755 1.359 0.410 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 10 +ATOM 14836 H HD13 . LEU A 1 29 ? -8.381 1.747 -0.151 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 10 +ATOM 14837 H HD21 . LEU A 1 29 ? -5.624 2.892 2.075 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 10 +ATOM 14838 H HD22 . LEU A 1 29 ? -7.019 2.665 3.121 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 10 +ATOM 14839 H HD23 . LEU A 1 29 ? -6.507 4.293 2.687 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 10 +ATOM 14840 N N . LYS A 1 30 ? -6.394 6.436 -2.025 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 10 +ATOM 14841 C CA . LYS A 1 30 ? -5.633 7.066 -3.099 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 10 +ATOM 14842 C C . LYS A 1 30 ? -5.044 8.393 -2.620 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 10 +ATOM 14843 O O . LYS A 1 30 ? -3.892 8.723 -2.910 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 10 +ATOM 14844 C CB . LYS A 1 30 ? -6.510 7.326 -4.315 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 10 +ATOM 14845 C CG . LYS A 1 30 ? -5.727 7.931 -5.473 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 10 +ATOM 14846 C CD . LYS A 1 30 ? -6.606 8.420 -6.611 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 10 +ATOM 14847 C CE . LYS A 1 30 ? -7.375 9.667 -6.217 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 10 +ATOM 14848 N NZ . LYS A 1 30 ? -8.146 10.212 -7.344 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 10 +ATOM 14849 H H . LYS A 1 30 ? -7.341 6.207 -2.183 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 10 +ATOM 14850 H HA . LYS A 1 30 ? -4.827 6.402 -3.375 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 10 +ATOM 14851 H HB2 . LYS A 1 30 ? -6.938 6.384 -4.625 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 10 +ATOM 14852 H HB3 . LYS A 1 30 ? -7.308 7.984 -4.014 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 10 +ATOM 14853 H HG2 . LYS A 1 30 ? -5.186 8.776 -5.072 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 10 +ATOM 14854 H HG3 . LYS A 1 30 ? -5.026 7.195 -5.839 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 10 +ATOM 14855 H HD2 . LYS A 1 30 ? -5.987 8.655 -7.464 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 10 +ATOM 14856 H HD3 . LYS A 1 30 ? -7.306 7.641 -6.877 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 10 +ATOM 14857 H HE2 . LYS A 1 30 ? -8.049 9.430 -5.408 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 10 +ATOM 14858 H HE3 . LYS A 1 30 ? -6.662 10.406 -5.885 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 10 +ATOM 14859 H HZ1 . LYS A 1 30 ? -8.704 11.036 -7.046 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 10 +ATOM 14860 H HZ2 . LYS A 1 30 ? -8.806 9.513 -7.739 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 10 +ATOM 14861 H HZ3 . LYS A 1 30 ? -7.517 10.521 -8.111 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 10 +ATOM 14862 N N . LYS A 1 31 ? -5.849 9.142 -1.886 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 10 +ATOM 14863 C CA . LYS A 1 31 ? -5.422 10.407 -1.300 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 10 +ATOM 14864 C C . LYS A 1 31 ? -4.238 10.190 -0.374 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 10 +ATOM 14865 O O . LYS A 1 31 ? -3.271 10.951 -0.391 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 10 +ATOM 14866 C CB . LYS A 1 31 ? -6.566 11.061 -0.546 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 10 +ATOM 14867 C CG . LYS A 1 31 ? -7.731 11.412 -1.432 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 10 +ATOM 14868 C CD . LYS A 1 31 ? -8.852 12.031 -0.645 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 10 +ATOM 14869 C CE . LYS A 1 31 ? -10.009 12.392 -1.546 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 10 +ATOM 14870 N NZ . LYS A 1 31 ? -11.152 12.901 -0.776 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 10 +ATOM 14871 H H . LYS A 1 31 ? -6.769 8.822 -1.762 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 10 +ATOM 14872 H HA . LYS A 1 31 ? -5.125 11.052 -2.112 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 10 +ATOM 14873 H HB2 . LYS A 1 31 ? -6.911 10.379 0.216 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 10 +ATOM 14874 H HB3 . LYS A 1 31 ? -6.210 11.967 -0.080 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 10 +ATOM 14875 H HG2 . LYS A 1 31 ? -7.406 12.098 -2.198 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 10 +ATOM 14876 H HG3 . LYS A 1 31 ? -8.088 10.505 -1.899 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 10 +ATOM 14877 H HD2 . LYS A 1 31 ? -9.193 11.329 0.101 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 10 +ATOM 14878 H HD3 . LYS A 1 31 ? -8.489 12.925 -0.162 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 10 +ATOM 14879 H HE2 . LYS A 1 31 ? -9.683 13.154 -2.238 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 10 +ATOM 14880 H HE3 . LYS A 1 31 ? -10.313 11.513 -2.095 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 10 +ATOM 14881 H HZ1 . LYS A 1 31 ? -11.945 13.137 -1.404 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 10 +ATOM 14882 H HZ2 . LYS A 1 31 ? -10.910 13.760 -0.242 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 10 +ATOM 14883 H HZ3 . LYS A 1 31 ? -11.477 12.163 -0.114 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 10 +ATOM 14884 N N . LYS A 1 32 ? -4.303 9.119 0.397 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 10 +ATOM 14885 C CA . LYS A 1 32 ? -3.224 8.740 1.279 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 10 +ATOM 14886 C C . LYS A 1 32 ? -1.973 8.378 0.523 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 10 +ATOM 14887 O O . LYS A 1 32 ? -0.867 8.647 0.985 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 10 +ATOM 14888 C CB . LYS A 1 32 ? -3.631 7.623 2.228 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 10 +ATOM 14889 C CG . LYS A 1 32 ? -3.998 8.121 3.610 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 10 +ATOM 14890 C CD . LYS A 1 32 ? -5.132 9.115 3.584 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 10 +ATOM 14891 C CE . LYS A 1 32 ? -5.328 9.729 4.944 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 10 +ATOM 14892 N NZ . LYS A 1 32 ? -4.133 10.496 5.379 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 10 +ATOM 14893 H H . LYS A 1 32 ? -5.116 8.570 0.363 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 10 +ATOM 14894 H HA . LYS A 1 32 ? -2.997 9.611 1.872 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 10 +ATOM 14895 H HB2 . LYS A 1 32 ? -4.482 7.105 1.812 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 10 +ATOM 14896 H HB3 . LYS A 1 32 ? -2.808 6.929 2.319 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 10 +ATOM 14897 H HG2 . LYS A 1 32 ? -4.304 7.280 4.215 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 10 +ATOM 14898 H HG3 . LYS A 1 32 ? -3.132 8.589 4.056 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 10 +ATOM 14899 H HD2 . LYS A 1 32 ? -4.905 9.897 2.874 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 10 +ATOM 14900 H HD3 . LYS A 1 32 ? -6.040 8.608 3.291 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 10 +ATOM 14901 H HE2 . LYS A 1 32 ? -6.193 10.373 4.928 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 10 +ATOM 14902 H HE3 . LYS A 1 32 ? -5.482 8.907 5.628 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 10 +ATOM 14903 H HZ1 . LYS A 1 32 ? -3.342 9.861 5.607 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 10 +ATOM 14904 H HZ2 . LYS A 1 32 ? -4.336 11.063 6.225 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 10 +ATOM 14905 H HZ3 . LYS A 1 32 ? -3.808 11.144 4.626 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 10 +ATOM 14906 N N . LEU A 1 33 ? -2.146 7.781 -0.625 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 10 +ATOM 14907 C CA . LEU A 1 33 ? -1.036 7.424 -1.473 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 10 +ATOM 14908 C C . LEU A 1 33 ? -0.376 8.665 -2.049 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 10 +ATOM 14909 O O . LEU A 1 33 ? 0.837 8.812 -1.981 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 10 +ATOM 14910 C CB . LEU A 1 33 ? -1.484 6.495 -2.597 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 10 +ATOM 14911 C CG . LEU A 1 33 ? -2.079 5.161 -2.160 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 10 +ATOM 14912 C CD1 . LEU A 1 33 ? -2.502 4.348 -3.367 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 10 +ATOM 14913 C CD2 . LEU A 1 33 ? -1.087 4.389 -1.301 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 10 +ATOM 14914 H H . LEU A 1 33 ? -3.061 7.557 -0.906 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 10 +ATOM 14915 H HA . LEU A 1 33 ? -0.315 6.903 -0.863 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 10 +ATOM 14916 H HB2 . LEU A 1 33 ? -2.225 7.017 -3.185 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 10 +ATOM 14917 H HB3 . LEU A 1 33 ? -0.631 6.293 -3.227 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 10 +ATOM 14918 H HG . LEU A 1 33 ? -2.963 5.351 -1.568 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 10 +ATOM 14919 H HD11 . LEU A 1 33 ? -2.913 3.403 -3.045 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 10 +ATOM 14920 H HD12 . LEU A 1 33 ? -1.645 4.170 -3.999 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 10 +ATOM 14921 H HD13 . LEU A 1 33 ? -3.252 4.892 -3.924 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 10 +ATOM 14922 H HD21 . LEU A 1 33 ? -1.496 3.421 -1.056 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 10 +ATOM 14923 H HD22 . LEU A 1 33 ? -0.915 4.936 -0.385 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 10 +ATOM 14924 H HD23 . LEU A 1 33 ? -0.155 4.267 -1.830 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 10 +ATOM 14925 N N . VAL A 1 34 ? -1.176 9.582 -2.572 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 10 +ATOM 14926 C CA . VAL A 1 34 ? -0.628 10.775 -3.188 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 10 +ATOM 14927 C C . VAL A 1 34 ? 0.072 11.685 -2.157 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 10 +ATOM 14928 O O . VAL A 1 34 ? 1.135 12.240 -2.448 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 10 +ATOM 14929 C CB . VAL A 1 34 ? -1.665 11.561 -4.069 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 10 +ATOM 14930 C CG1 . VAL A 1 34 ? -2.795 12.161 -3.259 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 10 +ATOM 14931 C CG2 . VAL A 1 34 ? -0.980 12.623 -4.909 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 10 +ATOM 14932 H H . VAL A 1 34 ? -2.148 9.429 -2.553 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 10 +ATOM 14933 H HA . VAL A 1 34 ? 0.158 10.409 -3.834 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 10 +ATOM 14934 H HB . VAL A 1 34 ? -2.110 10.846 -4.745 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 10 +ATOM 14935 H HG11 . VAL A 1 34 ? -2.394 12.882 -2.563 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 10 +ATOM 14936 H HG12 . VAL A 1 34 ? -3.274 11.369 -2.705 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 10 +ATOM 14937 H HG13 . VAL A 1 34 ? -3.507 12.638 -3.917 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 10 +ATOM 14938 H HG21 . VAL A 1 34 ? -0.484 13.329 -4.258 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 10 +ATOM 14939 H HG22 . VAL A 1 34 ? -1.721 13.137 -5.504 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 10 +ATOM 14940 H HG23 . VAL A 1 34 ? -0.254 12.156 -5.558 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 10 +ATOM 14941 N N . GLU A 1 35 ? -0.492 11.805 -0.950 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 10 +ATOM 14942 C CA . GLU A 1 35 ? 0.141 12.601 0.100 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 10 +ATOM 14943 C C . GLU A 1 35 ? 1.443 11.930 0.577 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 10 +ATOM 14944 O O . GLU A 1 35 ? 2.489 12.587 0.709 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 10 +ATOM 14945 C CB . GLU A 1 35 ? -0.819 12.850 1.303 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 10 +ATOM 14946 C CG . GLU A 1 35 ? -1.328 11.577 1.948 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 10 +ATOM 14947 C CD . GLU A 1 35 ? -2.167 11.758 3.193 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 10 +ATOM 14948 O OE1 . GLU A 1 35 ? -3.370 12.073 3.096 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 10 +ATOM 14949 O OE2 . GLU A 1 35 ? -1.662 11.483 4.301 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 10 +ATOM 14950 H H . GLU A 1 35 ? -1.357 11.367 -0.779 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 10 +ATOM 14951 H HA . GLU A 1 35 ? 0.402 13.550 -0.345 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 10 +ATOM 14952 H HB2 . GLU A 1 35 ? -0.301 13.423 2.056 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 10 +ATOM 14953 H HB3 . GLU A 1 35 ? -1.671 13.417 0.953 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 10 +ATOM 14954 H HG2 . GLU A 1 35 ? -1.929 11.073 1.206 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 10 +ATOM 14955 H HG3 . GLU A 1 35 ? -0.479 10.953 2.183 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 10 +ATOM 14956 N N . VAL A 1 36 ? 1.393 10.616 0.757 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 10 +ATOM 14957 C CA . VAL A 1 36 ? 2.504 9.868 1.310 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 10 +ATOM 14958 C C . VAL A 1 36 ? 3.730 9.912 0.397 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 10 +ATOM 14959 O O . VAL A 1 36 ? 4.837 9.904 0.868 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 10 +ATOM 14960 C CB . VAL A 1 36 ? 2.135 8.406 1.724 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 10 +ATOM 14961 C CG1 . VAL A 1 36 ? 2.123 7.430 0.553 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 10 +ATOM 14962 C CG2 . VAL A 1 36 ? 3.022 7.926 2.848 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 10 +ATOM 14963 H H . VAL A 1 36 ? 0.575 10.129 0.510 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 10 +ATOM 14964 H HA . VAL A 1 36 ? 2.784 10.412 2.201 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 10 +ATOM 14965 H HB . VAL A 1 36 ? 1.122 8.440 2.100 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 10 +ATOM 14966 H HG11 . VAL A 1 36 ? 1.822 6.452 0.898 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 10 +ATOM 14967 H HG12 . VAL A 1 36 ? 3.114 7.374 0.125 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 10 +ATOM 14968 H HG13 . VAL A 1 36 ? 1.433 7.782 -0.199 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 10 +ATOM 14969 H HG21 . VAL A 1 36 ? 4.041 7.968 2.500 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 10 +ATOM 14970 H HG22 . VAL A 1 36 ? 2.763 6.910 3.108 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 10 +ATOM 14971 H HG23 . VAL A 1 36 ? 2.907 8.563 3.711 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 10 +ATOM 14972 N N . LEU A 1 37 ? 3.497 10.013 -0.909 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 10 +ATOM 14973 C CA . LEU A 1 37 ? 4.552 10.025 -1.931 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 10 +ATOM 14974 C C . LEU A 1 37 ? 5.630 11.084 -1.704 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 10 +ATOM 14975 O O . LEU A 1 37 ? 6.749 10.929 -2.206 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 10 +ATOM 14976 C CB . LEU A 1 37 ? 3.972 10.196 -3.337 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 10 +ATOM 14977 C CG . LEU A 1 37 ? 3.159 9.028 -3.889 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 10 +ATOM 14978 C CD1 . LEU A 1 37 ? 2.592 9.377 -5.253 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 10 +ATOM 14979 C CD2 . LEU A 1 37 ? 4.021 7.776 -3.979 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 10 +ATOM 14980 H H . LEU A 1 37 ? 2.563 10.060 -1.203 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 10 +ATOM 14981 H HA . LEU A 1 37 ? 5.035 9.060 -1.892 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 10 +ATOM 14982 H HB2 . LEU A 1 37 ? 3.333 11.066 -3.325 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 10 +ATOM 14983 H HB3 . LEU A 1 37 ? 4.790 10.386 -4.016 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 10 +ATOM 14984 H HG . LEU A 1 37 ? 2.334 8.824 -3.221 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 10 +ATOM 14985 H HD11 . LEU A 1 37 ? 3.405 9.579 -5.933 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 10 +ATOM 14986 H HD12 . LEU A 1 37 ? 1.967 10.254 -5.170 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 10 +ATOM 14987 H HD13 . LEU A 1 37 ? 2.005 8.550 -5.626 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 10 +ATOM 14988 H HD21 . LEU A 1 37 ? 4.318 7.460 -2.990 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 10 +ATOM 14989 H HD22 . LEU A 1 37 ? 4.903 7.999 -4.562 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 10 +ATOM 14990 H HD23 . LEU A 1 37 ? 3.469 6.987 -4.465 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 10 +ATOM 14991 N N . GLU A 1 38 ? 5.311 12.174 -1.003 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 10 +ATOM 14992 C CA . GLU A 1 38 ? 6.332 13.195 -0.766 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 10 +ATOM 14993 C C . GLU A 1 38 ? 7.334 12.736 0.307 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 10 +ATOM 14994 O O . GLU A 1 38 ? 8.490 13.154 0.308 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 10 +ATOM 14995 C CB . GLU A 1 38 ? 5.725 14.559 -0.411 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 10 +ATOM 14996 C CG . GLU A 1 38 ? 4.961 14.603 0.895 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 10 +ATOM 14997 C CD . GLU A 1 38 ? 4.398 15.965 1.177 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 10 +ATOM 14998 O OE1 . GLU A 1 38 ? 5.163 16.879 1.538 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 10 +ATOM 14999 O OE2 . GLU A 1 38 ? 3.175 16.154 1.074 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 10 +ATOM 15000 H H . GLU A 1 38 ? 4.405 12.281 -0.633 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 10 +ATOM 15001 H HA . GLU A 1 38 ? 6.881 13.284 -1.692 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 10 +ATOM 15002 H HB2 . GLU A 1 38 ? 6.522 15.285 -0.347 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 10 +ATOM 15003 H HB3 . GLU A 1 38 ? 5.054 14.858 -1.203 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 10 +ATOM 15004 H HG2 . GLU A 1 38 ? 4.146 13.897 0.843 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 10 +ATOM 15005 H HG3 . GLU A 1 38 ? 5.628 14.327 1.698 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 10 +ATOM 15006 N N . SER A 1 39 ? 6.895 11.845 1.182 1.00 0.00 ? ? ? ? ? ? 36 SER A N 10 +ATOM 15007 C CA . SER A 1 39 ? 7.724 11.319 2.245 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 10 +ATOM 15008 C C . SER A 1 39 ? 7.167 9.964 2.732 1.00 0.00 ? ? ? ? ? ? 36 SER A C 10 +ATOM 15009 O O . SER A 1 39 ? 6.510 9.896 3.759 1.00 0.00 ? ? ? ? ? ? 36 SER A O 10 +ATOM 15010 C CB . SER A 1 39 ? 7.821 12.340 3.404 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 10 +ATOM 15011 O OG . SER A 1 39 ? 6.521 12.703 3.884 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 10 +ATOM 15012 H H . SER A 1 39 ? 5.977 11.500 1.104 1.00 0.00 ? ? ? ? ? ? 36 SER A H 10 +ATOM 15013 H HA . SER A 1 39 ? 8.711 11.147 1.844 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 10 +ATOM 15014 H HB2 . SER A 1 39 ? 8.381 11.903 4.220 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 10 +ATOM 15015 H HB3 . SER A 1 39 ? 8.325 13.229 3.057 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 10 +ATOM 15016 H HG . SER A 1 39 ? 6.050 11.868 4.000 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 10 +ATOM 15017 N N . PRO A 1 40 ? 7.346 8.880 1.949 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 10 +ATOM 15018 C CA . PRO A 1 40 ? 6.808 7.562 2.308 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 10 +ATOM 15019 C C . PRO A 1 40 ? 7.710 6.763 3.235 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 10 +ATOM 15020 O O . PRO A 1 40 ? 7.358 5.692 3.663 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 10 +ATOM 15021 C CB . PRO A 1 40 ? 6.675 6.873 0.956 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 10 +ATOM 15022 C CG . PRO A 1 40 ? 7.795 7.435 0.151 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 10 +ATOM 15023 C CD . PRO A 1 40 ? 7.976 8.862 0.612 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 10 +ATOM 15024 H HA . PRO A 1 40 ? 5.839 7.634 2.772 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 10 +ATOM 15025 H HB2 . PRO A 1 40 ? 6.765 5.805 1.081 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 10 +ATOM 15026 H HB3 . PRO A 1 40 ? 5.718 7.113 0.516 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 10 +ATOM 15027 H HG2 . PRO A 1 40 ? 8.694 6.866 0.330 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 10 +ATOM 15028 H HG3 . PRO A 1 40 ? 7.544 7.413 -0.899 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 10 +ATOM 15029 H HD2 . PRO A 1 40 ? 9.021 9.123 0.671 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 10 +ATOM 15030 H HD3 . PRO A 1 40 ? 7.446 9.528 -0.057 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 10 +ATOM 15031 N N . ARG A 1 41 ? 8.841 7.316 3.573 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 10 +ATOM 15032 C CA . ARG A 1 41 ? 9.820 6.634 4.417 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 10 +ATOM 15033 C C . ARG A 1 41 ? 9.583 6.864 5.926 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 10 +ATOM 15034 O O . ARG A 1 41 ? 10.516 6.816 6.727 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 10 +ATOM 15035 C CB . ARG A 1 41 ? 11.256 7.007 3.978 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 10 +ATOM 15036 C CG . ARG A 1 41 ? 11.510 8.494 3.650 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 10 +ATOM 15037 C CD . ARG A 1 41 ? 11.285 9.441 4.829 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 10 +ATOM 15038 N NE . ARG A 1 41 ? 12.084 9.080 5.994 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 10 +ATOM 15039 C CZ . ARG A 1 41 ? 12.554 9.935 6.901 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 10 +ATOM 15040 N NH1 . ARG A 1 41 ? 12.455 11.250 6.716 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 10 +ATOM 15041 N NH2 . ARG A 1 41 ? 13.156 9.472 7.979 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 10 +ATOM 15042 H H . ARG A 1 41 ? 9.017 8.219 3.239 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 10 +ATOM 15043 H HA . ARG A 1 41 ? 9.681 5.578 4.237 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 10 +ATOM 15044 H HB2 . ARG A 1 41 ? 11.933 6.730 4.771 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 10 +ATOM 15045 H HB3 . ARG A 1 41 ? 11.507 6.422 3.104 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 10 +ATOM 15046 H HG2 . ARG A 1 41 ? 12.530 8.597 3.318 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 10 +ATOM 15047 H HG3 . ARG A 1 41 ? 10.855 8.778 2.840 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 10 +ATOM 15048 H HD2 . ARG A 1 41 ? 11.542 10.445 4.530 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 10 +ATOM 15049 H HD3 . ARG A 1 41 ? 10.240 9.408 5.098 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 10 +ATOM 15050 H HE . ARG A 1 41 ? 12.230 8.114 6.125 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 10 +ATOM 15051 H HH11 . ARG A 1 41 ? 12.033 11.675 5.914 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 10 +ATOM 15052 H HH12 . ARG A 1 41 ? 12.829 11.895 7.388 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 10 +ATOM 15053 H HH21 . ARG A 1 41 ? 13.276 8.492 8.145 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 10 +ATOM 15054 H HH22 . ARG A 1 41 ? 13.523 10.092 8.680 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 10 +ATOM 15055 N N . ILE A 1 42 ? 8.341 7.000 6.303 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 10 +ATOM 15056 C CA . ILE A 1 42 ? 7.973 7.295 7.681 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 10 +ATOM 15057 C C . ILE A 1 42 ? 7.954 6.001 8.505 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 10 +ATOM 15058 O O . ILE A 1 42 ? 7.095 5.136 8.305 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 10 +ATOM 15059 C CB . ILE A 1 42 ? 6.588 8.005 7.732 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 10 +ATOM 15060 C CG1 . ILE A 1 42 ? 6.671 9.341 6.973 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 10 +ATOM 15061 C CG2 . ILE A 1 42 ? 6.124 8.223 9.173 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 10 +ATOM 15062 C CD1 . ILE A 1 42 ? 5.362 10.096 6.865 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 10 +ATOM 15063 H H . ILE A 1 42 ? 7.641 6.855 5.632 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 10 +ATOM 15064 H HA . ILE A 1 42 ? 8.724 7.956 8.089 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 10 +ATOM 15065 H HB . ILE A 1 42 ? 5.866 7.374 7.236 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 10 +ATOM 15066 H HG12 . ILE A 1 42 ? 7.373 9.985 7.481 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 10 +ATOM 15067 H HG13 . ILE A 1 42 ? 7.033 9.152 5.973 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 10 +ATOM 15068 H HG21 . ILE A 1 42 ? 5.148 8.685 9.173 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 10 +ATOM 15069 H HG22 . ILE A 1 42 ? 6.824 8.872 9.676 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 10 +ATOM 15070 H HG23 . ILE A 1 42 ? 6.078 7.275 9.688 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 10 +ATOM 15071 H HD11 . ILE A 1 42 ? 5.003 10.351 7.851 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 10 +ATOM 15072 H HD12 . ILE A 1 42 ? 4.634 9.477 6.360 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 10 +ATOM 15073 H HD13 . ILE A 1 42 ? 5.526 10.996 6.292 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 10 +ATOM 15074 N N . GLU A 1 43 ? 8.899 5.898 9.443 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 10 +ATOM 15075 C CA . GLU A 1 43 ? 9.113 4.685 10.249 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 10 +ATOM 15076 C C . GLU A 1 43 ? 7.880 4.250 11.035 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 10 +ATOM 15077 O O . GLU A 1 43 ? 7.674 3.063 11.264 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 10 +ATOM 15078 C CB . GLU A 1 43 ? 10.294 4.845 11.199 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 10 +ATOM 15079 C CG . GLU A 1 43 ? 10.165 6.018 12.147 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 10 +ATOM 15080 C CD . GLU A 1 43 ? 11.238 6.055 13.191 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 10 +ATOM 15081 O OE1 . GLU A 1 43 ? 11.199 5.234 14.133 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 10 +ATOM 15082 O OE2 . GLU A 1 43 ? 12.134 6.908 13.098 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 10 +ATOM 15083 H H . GLU A 1 43 ? 9.477 6.675 9.602 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 10 +ATOM 15084 H HA . GLU A 1 43 ? 9.361 3.905 9.547 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 10 +ATOM 15085 H HB2 . GLU A 1 43 ? 10.367 3.943 11.790 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 10 +ATOM 15086 H HB3 . GLU A 1 43 ? 11.195 4.948 10.615 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 10 +ATOM 15087 H HG2 . GLU A 1 43 ? 10.241 6.924 11.564 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 10 +ATOM 15088 H HG3 . GLU A 1 43 ? 9.198 5.981 12.625 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 10 +ATOM 15089 N N . ALA A 1 44 ? 7.044 5.207 11.396 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 10 +ATOM 15090 C CA . ALA A 1 44 ? 5.855 4.937 12.189 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 10 +ATOM 15091 C C . ALA A 1 44 ? 4.827 4.123 11.407 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 10 +ATOM 15092 O O . ALA A 1 44 ? 3.914 3.541 11.982 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 10 +ATOM 15093 C CB . ALA A 1 44 ? 5.245 6.238 12.679 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 10 +ATOM 15094 H H . ALA A 1 44 ? 7.246 6.125 11.116 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 10 +ATOM 15095 H HA . ALA A 1 44 ? 6.164 4.364 13.050 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 10 +ATOM 15096 H HB1 . ALA A 1 44 ? 5.986 6.800 13.228 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 10 +ATOM 15097 H HB2 . ALA A 1 44 ? 4.405 6.022 13.325 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 10 +ATOM 15098 H HB3 . ALA A 1 44 ? 4.908 6.818 11.834 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 10 +ATOM 15099 N N . ASN A 1 45 ? 4.987 4.067 10.101 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 10 +ATOM 15100 C CA . ASN A 1 45 ? 4.047 3.343 9.265 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 10 +ATOM 15101 C C . ASN A 1 45 ? 4.595 2.002 8.839 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 10 +ATOM 15102 O O . ASN A 1 45 ? 3.896 1.235 8.179 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 10 +ATOM 15103 C CB . ASN A 1 45 ? 3.648 4.157 8.018 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 10 +ATOM 15104 C CG . ASN A 1 45 ? 2.786 5.368 8.317 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 10 +ATOM 15105 O OD1 . ASN A 1 45 ? 2.021 5.388 9.282 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 10 +ATOM 15106 N ND2 . ASN A 1 45 ? 2.882 6.379 7.486 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 10 +ATOM 15107 H H . ASN A 1 45 ? 5.764 4.506 9.688 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 10 +ATOM 15108 H HA . ASN A 1 45 ? 3.159 3.171 9.854 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 10 +ATOM 15109 H HB2 . ASN A 1 45 ? 4.545 4.513 7.539 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 10 +ATOM 15110 H HB3 . ASN A 1 45 ? 3.112 3.514 7.334 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 10 +ATOM 15111 H HD21 . ASN A 1 45 ? 3.496 6.303 6.726 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 10 +ATOM 15112 H HD22 . ASN A 1 45 ? 2.324 7.169 7.652 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 10 +ATOM 15113 N N . LYS A 1 46 ? 5.816 1.692 9.236 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 10 +ATOM 15114 C CA . LYS A 1 46 ? 6.454 0.463 8.794 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 10 +ATOM 15115 C C . LYS A 1 46 ? 5.868 -0.747 9.490 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 10 +ATOM 15116 O O . LYS A 1 46 ? 5.449 -0.675 10.653 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 10 +ATOM 15117 C CB . LYS A 1 46 ? 7.984 0.506 8.987 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 10 +ATOM 15118 C CG . LYS A 1 46 ? 8.622 1.689 8.320 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 10 +ATOM 15119 C CD . LYS A 1 46 ? 10.146 1.673 8.346 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 10 +ATOM 15120 C CE . LYS A 1 46 ? 10.726 0.760 7.269 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 10 +ATOM 15121 N NZ . LYS A 1 46 ? 12.198 0.900 7.153 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 10 +ATOM 15122 H H . LYS A 1 46 ? 6.292 2.278 9.865 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 10 +ATOM 15123 H HA . LYS A 1 46 ? 6.249 0.367 7.738 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 10 +ATOM 15124 H HB2 . LYS A 1 46 ? 8.208 0.590 10.042 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 10 +ATOM 15125 H HB3 . LYS A 1 46 ? 8.430 -0.393 8.592 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 10 +ATOM 15126 H HG2 . LYS A 1 46 ? 8.301 1.699 7.287 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 10 +ATOM 15127 H HG3 . LYS A 1 46 ? 8.251 2.581 8.802 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 10 +ATOM 15128 H HD2 . LYS A 1 46 ? 10.509 2.678 8.192 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 10 +ATOM 15129 H HD3 . LYS A 1 46 ? 10.467 1.325 9.317 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 10 +ATOM 15130 H HE2 . LYS A 1 46 ? 10.489 -0.266 7.512 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 10 +ATOM 15131 H HE3 . LYS A 1 46 ? 10.275 1.014 6.321 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 10 +ATOM 15132 H HZ1 . LYS A 1 46 ? 12.526 0.484 6.253 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 10 +ATOM 15133 H HZ2 . LYS A 1 46 ? 12.682 0.399 7.923 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 10 +ATOM 15134 H HZ3 . LYS A 1 46 ? 12.504 1.893 7.176 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 10 +ATOM 15135 N N . LEU A 1 47 ? 5.787 -1.831 8.764 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 10 +ATOM 15136 C CA . LEU A 1 47 ? 5.348 -3.077 9.313 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 10 +ATOM 15137 C C . LEU A 1 47 ? 6.451 -3.643 10.163 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 10 +ATOM 15138 O O . LEU A 1 47 ? 7.626 -3.655 9.754 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 10 +ATOM 15139 C CB . LEU A 1 47 ? 4.967 -4.075 8.222 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 10 +ATOM 15140 C CG . LEU A 1 47 ? 3.748 -3.763 7.370 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 10 +ATOM 15141 C CD1 . LEU A 1 47 ? 3.478 -4.905 6.414 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 10 +ATOM 15142 C CD2 . LEU A 1 47 ? 2.553 -3.527 8.242 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 10 +ATOM 15143 H H . LEU A 1 47 ? 6.054 -1.774 7.817 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 10 +ATOM 15144 H HA . LEU A 1 47 ? 4.489 -2.886 9.939 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 10 +ATOM 15145 H HB2 . LEU A 1 47 ? 5.801 -4.117 7.540 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 10 +ATOM 15146 H HB3 . LEU A 1 47 ? 4.832 -5.046 8.675 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 10 +ATOM 15147 H HG . LEU A 1 47 ? 3.932 -2.870 6.789 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 10 +ATOM 15148 H HD11 . LEU A 1 47 ? 4.324 -5.042 5.757 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 10 +ATOM 15149 H HD12 . LEU A 1 47 ? 2.597 -4.684 5.832 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 10 +ATOM 15150 H HD13 . LEU A 1 47 ? 3.312 -5.811 6.978 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 10 +ATOM 15151 H HD21 . LEU A 1 47 ? 2.725 -2.643 8.834 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 10 +ATOM 15152 H HD22 . LEU A 1 47 ? 2.424 -4.379 8.892 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 10 +ATOM 15153 H HD23 . LEU A 1 47 ? 1.671 -3.399 7.633 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 10 +ATOM 15154 N N . ARG A 1 48 ? 6.093 -4.085 11.331 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 10 +ATOM 15155 C CA . ARG A 1 48 ? 7.044 -4.586 12.281 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 10 +ATOM 15156 C C . ARG A 1 48 ? 7.552 -5.959 11.834 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 10 +ATOM 15157 O O . ARG A 1 48 ? 6.810 -6.945 11.867 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 10 +ATOM 15158 C CB . ARG A 1 48 ? 6.380 -4.671 13.653 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 10 +ATOM 15159 C CG . ARG A 1 48 ? 7.329 -4.572 14.834 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 10 +ATOM 15160 C CD . ARG A 1 48 ? 7.962 -3.188 14.888 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 10 +ATOM 15161 N NE . ARG A 1 48 ? 8.742 -2.982 16.105 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 10 +ATOM 15162 C CZ . ARG A 1 48 ? 9.357 -1.841 16.439 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 10 +ATOM 15163 N NH1 . ARG A 1 48 ? 9.314 -0.788 15.634 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 10 +ATOM 15164 N NH2 . ARG A 1 48 ? 10.004 -1.763 17.582 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 10 +ATOM 15165 H H . ARG A 1 48 ? 5.146 -4.068 11.580 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 10 +ATOM 15166 H HA . ARG A 1 48 ? 7.876 -3.901 12.334 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 10 +ATOM 15167 H HB2 . ARG A 1 48 ? 5.666 -3.865 13.733 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 10 +ATOM 15168 H HB3 . ARG A 1 48 ? 5.846 -5.608 13.718 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 10 +ATOM 15169 H HG2 . ARG A 1 48 ? 6.780 -4.747 15.748 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 10 +ATOM 15170 H HG3 . ARG A 1 48 ? 8.106 -5.314 14.726 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 10 +ATOM 15171 H HD2 . ARG A 1 48 ? 8.625 -3.066 14.045 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 10 +ATOM 15172 H HD3 . ARG A 1 48 ? 7.182 -2.443 14.845 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 10 +ATOM 15173 H HE . ARG A 1 48 ? 8.787 -3.753 16.716 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 10 +ATOM 15174 H HH11 . ARG A 1 48 ? 8.818 -0.813 14.762 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 10 +ATOM 15175 H HH12 . ARG A 1 48 ? 9.783 0.074 15.839 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 10 +ATOM 15176 H HH21 . ARG A 1 48 ? 10.051 -2.541 18.217 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 10 +ATOM 15177 H HH22 . ARG A 1 48 ? 10.486 -0.940 17.895 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 10 +ATOM 15178 N N . GLY A 1 49 ? 8.787 -6.000 11.381 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 10 +ATOM 15179 C CA . GLY A 1 49 ? 9.392 -7.239 10.942 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 10 +ATOM 15180 C C . GLY A 1 49 ? 9.185 -7.500 9.467 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 10 +ATOM 15181 O O . GLY A 1 49 ? 9.072 -8.646 9.046 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 10 +ATOM 15182 H H . GLY A 1 49 ? 9.307 -5.170 11.352 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 10 +ATOM 15183 H HA2 . GLY A 1 49 ? 10.451 -7.202 11.144 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 10 +ATOM 15184 H HA3 . GLY A 1 49 ? 8.953 -8.053 11.501 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 10 +ATOM 15185 N N . MET A 1 50 ? 9.132 -6.445 8.682 1.00 0.00 ? ? ? ? ? ? 47 MET A N 10 +ATOM 15186 C CA . MET A 1 50 ? 8.916 -6.561 7.244 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 10 +ATOM 15187 C C . MET A 1 50 ? 9.897 -5.676 6.494 1.00 0.00 ? ? ? ? ? ? 47 MET A C 10 +ATOM 15188 O O . MET A 1 50 ? 10.207 -4.569 6.960 1.00 0.00 ? ? ? ? ? ? 47 MET A O 10 +ATOM 15189 C CB . MET A 1 50 ? 7.487 -6.164 6.899 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 10 +ATOM 15190 C CG . MET A 1 50 ? 6.436 -7.179 7.327 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 10 +ATOM 15191 S SD . MET A 1 50 ? 6.371 -8.617 6.250 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 10 +ATOM 15192 C CE . MET A 1 50 ? 5.605 -7.904 4.788 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 10 +ATOM 15193 H H . MET A 1 50 ? 9.252 -5.550 9.065 1.00 0.00 ? ? ? ? ? ? 47 MET A H 10 +ATOM 15194 H HA . MET A 1 50 ? 9.066 -7.598 6.987 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 10 +ATOM 15195 H HB2 . MET A 1 50 ? 7.297 -5.232 7.404 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 10 +ATOM 15196 H HB3 . MET A 1 50 ? 7.415 -6.010 5.832 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 10 +ATOM 15197 H HG2 . MET A 1 50 ? 6.654 -7.510 8.331 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 10 +ATOM 15198 H HG3 . MET A 1 50 ? 5.471 -6.694 7.312 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 10 +ATOM 15199 H HE1 . MET A 1 50 ? 6.207 -7.090 4.410 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 10 +ATOM 15200 H HE2 . MET A 1 50 ? 4.623 -7.535 5.050 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 10 +ATOM 15201 H HE3 . MET A 1 50 ? 5.500 -8.660 4.025 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 10 +ATOM 15202 N N . PRO A 1 51 ? 10.408 -6.126 5.332 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 10 +ATOM 15203 C CA . PRO A 1 51 ? 11.380 -5.363 4.545 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 10 +ATOM 15204 C C . PRO A 1 51 ? 10.763 -4.125 3.880 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 10 +ATOM 15205 O O . PRO A 1 51 ? 10.144 -4.218 2.810 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 10 +ATOM 15206 C CB . PRO A 1 51 ? 11.875 -6.358 3.478 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 10 +ATOM 15207 C CG . PRO A 1 51 ? 11.331 -7.686 3.887 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 10 +ATOM 15208 C CD . PRO A 1 51 ? 10.089 -7.407 4.681 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 10 +ATOM 15209 H HA . PRO A 1 51 ? 12.210 -5.048 5.161 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 10 +ATOM 15210 H HB2 . PRO A 1 51 ? 11.502 -6.063 2.509 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 10 +ATOM 15211 H HB3 . PRO A 1 51 ? 12.954 -6.369 3.467 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 10 +ATOM 15212 H HG2 . PRO A 1 51 ? 11.098 -8.272 3.010 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 10 +ATOM 15213 H HG3 . PRO A 1 51 ? 12.056 -8.205 4.498 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 10 +ATOM 15214 H HD2 . PRO A 1 51 ? 9.223 -7.322 4.042 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 10 +ATOM 15215 H HD3 . PRO A 1 51 ? 9.949 -8.191 5.409 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 10 +ATOM 15216 N N . ASP A 1 52 ? 10.873 -2.994 4.581 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 10 +ATOM 15217 C CA . ASP A 1 52 ? 10.405 -1.669 4.129 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 10 +ATOM 15218 C C . ASP A 1 52 ? 8.989 -1.660 3.627 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 10 +ATOM 15219 O O . ASP A 1 52 ? 8.661 -1.006 2.634 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 10 +ATOM 15220 C CB . ASP A 1 52 ? 11.375 -1.003 3.147 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 10 +ATOM 15221 C CG . ASP A 1 52 ? 12.618 -0.521 3.852 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 10 +ATOM 15222 O OD1 . ASP A 1 52 ? 12.593 0.570 4.450 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 10 +ATOM 15223 O OD2 . ASP A 1 52 ? 13.636 -1.238 3.864 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 10 +ATOM 15224 H H . ASP A 1 52 ? 11.302 -3.060 5.462 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 10 +ATOM 15225 H HA . ASP A 1 52 ? 10.383 -1.062 5.023 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 10 +ATOM 15226 H HB2 . ASP A 1 52 ? 11.652 -1.713 2.381 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 10 +ATOM 15227 H HB3 . ASP A 1 52 ? 10.888 -0.156 2.686 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 10 +ATOM 15228 N N . CYS A 1 53 ? 8.143 -2.363 4.331 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 10 +ATOM 15229 C CA . CYS A 1 53 ? 6.752 -2.379 4.020 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 10 +ATOM 15230 C C . CYS A 1 53 ? 6.058 -1.432 4.983 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 10 +ATOM 15231 O O . CYS A 1 53 ? 6.428 -1.364 6.160 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 10 +ATOM 15232 C CB . CYS A 1 53 ? 6.213 -3.794 4.170 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 10 +ATOM 15233 S SG . CYS A 1 53 ? 7.141 -5.033 3.232 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 10 +ATOM 15234 H H . CYS A 1 53 ? 8.474 -2.885 5.090 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 10 +ATOM 15235 H HA . CYS A 1 53 ? 6.613 -2.038 3.006 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 10 +ATOM 15236 H HB2 . CYS A 1 53 ? 6.250 -4.073 5.212 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 10 +ATOM 15237 H HB3 . CYS A 1 53 ? 5.188 -3.821 3.831 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 10 +ATOM 15238 H HG . CYS A 1 53 ? 8.283 -4.479 2.834 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 10 +ATOM 15239 N N . TYR A 1 54 ? 5.090 -0.714 4.501 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 10 +ATOM 15240 C CA . TYR A 1 54 ? 4.396 0.290 5.271 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 10 +ATOM 15241 C C . TYR A 1 54 ? 2.905 0.073 5.140 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 10 +ATOM 15242 O O . TYR A 1 54 ? 2.428 -0.389 4.092 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 10 +ATOM 15243 C CB . TYR A 1 54 ? 4.737 1.709 4.762 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 10 +ATOM 15244 C CG . TYR A 1 54 ? 6.198 2.137 4.847 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 10 +ATOM 15245 C CD1 . TYR A 1 54 ? 7.185 1.530 4.080 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 10 +ATOM 15246 C CD2 . TYR A 1 54 ? 6.579 3.169 5.674 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 10 +ATOM 15247 C CE1 . TYR A 1 54 ? 8.502 1.937 4.150 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 10 +ATOM 15248 C CE2 . TYR A 1 54 ? 7.891 3.579 5.744 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 10 +ATOM 15249 C CZ . TYR A 1 54 ? 8.847 2.961 4.984 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 10 +ATOM 15250 O OH . TYR A 1 54 ? 10.164 3.371 5.068 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 10 +ATOM 15251 H H . TYR A 1 54 ? 4.803 -0.853 3.570 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 10 +ATOM 15252 H HA . TYR A 1 54 ? 4.687 0.208 6.306 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 10 +ATOM 15253 H HB2 . TYR A 1 54 ? 4.443 1.783 3.725 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 10 +ATOM 15254 H HB3 . TYR A 1 54 ? 4.153 2.414 5.336 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 10 +ATOM 15255 H HD1 . TYR A 1 54 ? 6.910 0.716 3.425 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 10 +ATOM 15256 H HD2 . TYR A 1 54 ? 5.832 3.660 6.277 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 10 +ATOM 15257 H HE1 . TYR A 1 54 ? 9.252 1.449 3.543 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 10 +ATOM 15258 H HE2 . TYR A 1 54 ? 8.164 4.389 6.404 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 10 +ATOM 15259 H HH . TYR A 1 54 ? 10.566 3.343 4.189 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 10 +ATOM 15260 N N . LYS A 1 55 ? 2.185 0.367 6.196 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 10 +ATOM 15261 C CA . LYS A 1 55 ? 0.749 0.240 6.217 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 10 +ATOM 15262 C C . LYS A 1 55 ? 0.085 1.604 6.382 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 10 +ATOM 15263 O O . LYS A 1 55 ? 0.568 2.471 7.132 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 10 +ATOM 15264 C CB . LYS A 1 55 ? 0.358 -0.638 7.403 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 10 +ATOM 15265 C CG . LYS A 1 55 ? 0.887 -0.074 8.709 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 10 +ATOM 15266 C CD . LYS A 1 55 ? 0.717 -0.987 9.866 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 10 +ATOM 15267 C CE . LYS A 1 55 ? 1.491 -0.447 11.042 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 10 +ATOM 15268 N NZ . LYS A 1 55 ? 0.803 0.676 11.724 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 10 +ATOM 15269 H H . LYS A 1 55 ? 2.629 0.668 7.025 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 10 +ATOM 15270 H HA . LYS A 1 55 ? 0.412 -0.240 5.311 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 10 +ATOM 15271 H HB2 . LYS A 1 55 ? -0.720 -0.696 7.458 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 10 +ATOM 15272 H HB3 . LYS A 1 55 ? 0.766 -1.627 7.262 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 10 +ATOM 15273 H HG2 . LYS A 1 55 ? 1.939 0.138 8.603 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 10 +ATOM 15274 H HG3 . LYS A 1 55 ? 0.362 0.848 8.907 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 10 +ATOM 15275 H HD2 . LYS A 1 55 ? -0.331 -1.029 10.119 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 10 +ATOM 15276 H HD3 . LYS A 1 55 ? 1.072 -1.976 9.624 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 10 +ATOM 15277 H HE2 . LYS A 1 55 ? 1.705 -1.257 11.711 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 10 +ATOM 15278 H HE3 . LYS A 1 55 ? 2.439 -0.090 10.666 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 10 +ATOM 15279 H HZ1 . LYS A 1 55 ? 0.662 1.504 11.112 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 10 +ATOM 15280 H HZ2 . LYS A 1 55 ? 1.342 0.970 12.565 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 10 +ATOM 15281 H HZ3 . LYS A 1 55 ? -0.127 0.359 12.071 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 10 +ATOM 15282 N N . ILE A 1 56 ? -0.982 1.798 5.685 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 10 +ATOM 15283 C CA . ILE A 1 56 ? -1.824 2.944 5.886 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 10 +ATOM 15284 C C . ILE A 1 56 ? -3.202 2.422 6.182 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 10 +ATOM 15285 O O . ILE A 1 56 ? -3.704 1.561 5.454 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 10 +ATOM 15286 C CB . ILE A 1 56 ? -1.881 3.908 4.655 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 10 +ATOM 15287 C CG1 . ILE A 1 56 ? -0.486 4.489 4.353 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 10 +ATOM 15288 C CG2 . ILE A 1 56 ? -2.892 5.040 4.900 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 10 +ATOM 15289 C CD1 . ILE A 1 56 ? -0.459 5.477 3.199 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 10 +ATOM 15290 H H . ILE A 1 56 ? -1.227 1.140 4.994 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 10 +ATOM 15291 H HA . ILE A 1 56 ? -1.457 3.475 6.753 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 10 +ATOM 15292 H HB . ILE A 1 56 ? -2.218 3.341 3.801 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 10 +ATOM 15293 H HG12 . ILE A 1 56 ? -0.121 5.000 5.231 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 10 +ATOM 15294 H HG13 . ILE A 1 56 ? 0.184 3.675 4.116 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 10 +ATOM 15295 H HG21 . ILE A 1 56 ? -2.935 5.689 4.038 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 10 +ATOM 15296 H HG22 . ILE A 1 56 ? -2.594 5.630 5.755 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 10 +ATOM 15297 H HG23 . ILE A 1 56 ? -3.876 4.631 5.081 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 10 +ATOM 15298 H HD11 . ILE A 1 56 ? -1.074 6.329 3.446 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 10 +ATOM 15299 H HD12 . ILE A 1 56 ? -0.849 5.007 2.308 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 10 +ATOM 15300 H HD13 . ILE A 1 56 ? 0.556 5.803 3.022 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 10 +ATOM 15301 N N . LYS A 1 57 ? -3.781 2.866 7.258 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 10 +ATOM 15302 C CA . LYS A 1 57 ? -5.102 2.447 7.596 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 10 +ATOM 15303 C C . LYS A 1 57 ? -6.088 3.535 7.304 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 10 +ATOM 15304 O O . LYS A 1 57 ? -5.766 4.724 7.404 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 10 +ATOM 15305 C CB . LYS A 1 57 ? -5.206 1.878 9.035 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 10 +ATOM 15306 C CG . LYS A 1 57 ? -4.596 2.724 10.142 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 10 +ATOM 15307 C CD . LYS A 1 57 ? -5.366 3.990 10.433 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 10 +ATOM 15308 C CE . LYS A 1 57 ? -4.622 4.802 11.439 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 10 +ATOM 15309 N NZ . LYS A 1 57 ? -5.316 6.055 11.785 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 10 +ATOM 15310 H H . LYS A 1 57 ? -3.330 3.527 7.827 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 10 +ATOM 15311 H HA . LYS A 1 57 ? -5.321 1.653 6.904 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 10 +ATOM 15312 H HB2 . LYS A 1 57 ? -6.251 1.743 9.272 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 10 +ATOM 15313 H HB3 . LYS A 1 57 ? -4.731 0.909 9.051 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 10 +ATOM 15314 H HG2 . LYS A 1 57 ? -4.569 2.136 11.048 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 10 +ATOM 15315 H HG3 . LYS A 1 57 ? -3.587 2.981 9.856 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 10 +ATOM 15316 H HD2 . LYS A 1 57 ? -5.477 4.555 9.519 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 10 +ATOM 15317 H HD3 . LYS A 1 57 ? -6.338 3.735 10.828 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 10 +ATOM 15318 H HE2 . LYS A 1 57 ? -4.484 4.190 12.316 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 10 +ATOM 15319 H HE3 . LYS A 1 57 ? -3.666 5.017 10.986 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 10 +ATOM 15320 H HZ1 . LYS A 1 57 ? -4.760 6.587 12.485 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 10 +ATOM 15321 H HZ2 . LYS A 1 57 ? -6.248 5.848 12.197 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 10 +ATOM 15322 H HZ3 . LYS A 1 57 ? -5.454 6.650 10.946 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 10 +ATOM 15323 N N . LEU A 1 58 ? -7.241 3.158 6.893 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 10 +ATOM 15324 C CA . LEU A 1 58 ? -8.238 4.110 6.584 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 10 +ATOM 15325 C C . LEU A 1 58 ? -8.976 4.468 7.859 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 10 +ATOM 15326 O O . LEU A 1 58 ? -9.159 3.624 8.736 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 10 +ATOM 15327 C CB . LEU A 1 58 ? -9.201 3.548 5.540 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 10 +ATOM 15328 C CG . LEU A 1 58 ? -10.044 4.574 4.803 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 10 +ATOM 15329 C CD1 . LEU A 1 58 ? -9.155 5.450 3.983 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 10 +ATOM 15330 C CD2 . LEU A 1 58 ? -11.070 3.909 3.926 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 10 +ATOM 15331 H H . LEU A 1 58 ? -7.429 2.198 6.781 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 10 +ATOM 15332 H HA . LEU A 1 58 ? -7.754 4.989 6.186 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 10 +ATOM 15333 H HB2 . LEU A 1 58 ? -8.624 2.998 4.811 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 10 +ATOM 15334 H HB3 . LEU A 1 58 ? -9.868 2.858 6.035 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 10 +ATOM 15335 H HG . LEU A 1 58 ? -10.558 5.233 5.488 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 10 +ATOM 15336 H HD11 . LEU A 1 58 ? -8.534 4.830 3.353 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 10 +ATOM 15337 H HD12 . LEU A 1 58 ? -8.550 6.082 4.615 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 10 +ATOM 15338 H HD13 . LEU A 1 58 ? -9.795 6.049 3.357 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 10 +ATOM 15339 H HD21 . LEU A 1 58 ? -11.717 3.281 4.522 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 10 +ATOM 15340 H HD22 . LEU A 1 58 ? -10.564 3.322 3.175 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 10 +ATOM 15341 H HD23 . LEU A 1 58 ? -11.654 4.681 3.447 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 10 +ATOM 15342 N N . ARG A 1 59 ? -9.346 5.708 7.984 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 10 +ATOM 15343 C CA . ARG A 1 59 ? -10.085 6.162 9.144 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 10 +ATOM 15344 C C . ARG A 1 59 ? -11.574 6.014 8.878 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 10 +ATOM 15345 O O . ARG A 1 59 ? -12.368 5.769 9.781 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 10 +ATOM 15346 C CB . ARG A 1 59 ? -9.746 7.618 9.430 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 10 +ATOM 15347 C CG . ARG A 1 59 ? -10.430 8.192 10.655 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 10 +ATOM 15348 C CD . ARG A 1 59 ? -10.089 9.649 10.804 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 10 +ATOM 15349 N NE . ARG A 1 59 ? -10.728 10.262 11.967 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 10 +ATOM 15350 C CZ . ARG A 1 59 ? -10.598 11.545 12.294 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 10 +ATOM 15351 N NH1 . ARG A 1 59 ? -9.906 12.357 11.505 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 10 +ATOM 15352 N NH2 . ARG A 1 59 ? -11.183 12.022 13.386 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 10 +ATOM 15353 H H . ARG A 1 59 ? -9.095 6.349 7.288 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 10 +ATOM 15354 H HA . ARG A 1 59 ? -9.807 5.555 9.992 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 10 +ATOM 15355 H HB2 . ARG A 1 59 ? -8.679 7.704 9.571 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 10 +ATOM 15356 H HB3 . ARG A 1 59 ? -10.033 8.212 8.575 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 10 +ATOM 15357 H HG2 . ARG A 1 59 ? -11.498 8.084 10.549 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 10 +ATOM 15358 H HG3 . ARG A 1 59 ? -10.093 7.658 11.530 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 10 +ATOM 15359 H HD2 . ARG A 1 59 ? -9.018 9.751 10.904 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 10 +ATOM 15360 H HD3 . ARG A 1 59 ? -10.418 10.165 9.916 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 10 +ATOM 15361 H HE . ARG A 1 59 ? -11.266 9.652 12.522 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 10 +ATOM 15362 H HH11 . ARG A 1 59 ? -9.472 12.035 10.658 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 10 +ATOM 15363 H HH12 . ARG A 1 59 ? -9.794 13.331 11.724 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 10 +ATOM 15364 H HH21 . ARG A 1 59 ? -11.742 11.453 13.998 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 10 +ATOM 15365 H HH22 . ARG A 1 59 ? -11.073 12.981 13.662 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 10 +ATOM 15366 N N . SER A 1 60 ? -11.928 6.139 7.620 1.00 0.00 ? ? ? ? ? ? 57 SER A N 10 +ATOM 15367 C CA . SER A 1 60 ? -13.294 6.062 7.167 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 10 +ATOM 15368 C C . SER A 1 60 ? -13.877 4.642 7.392 1.00 0.00 ? ? ? ? ? ? 57 SER A C 10 +ATOM 15369 O O . SER A 1 60 ? -15.073 4.479 7.639 1.00 0.00 ? ? ? ? ? ? 57 SER A O 10 +ATOM 15370 C CB . SER A 1 60 ? -13.290 6.411 5.688 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 10 +ATOM 15371 O OG . SER A 1 60 ? -12.356 7.471 5.446 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 10 +ATOM 15372 H H . SER A 1 60 ? -11.260 6.331 6.930 1.00 0.00 ? ? ? ? ? ? 57 SER A H 10 +ATOM 15373 H HA . SER A 1 60 ? -13.884 6.795 7.695 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 10 +ATOM 15374 H HB2 . SER A 1 60 ? -12.996 5.542 5.119 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 10 +ATOM 15375 H HB3 . SER A 1 60 ? -14.273 6.732 5.379 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 10 +ATOM 15376 H HG . SER A 1 60 ? -12.754 8.330 5.644 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 10 +ATOM 15377 N N . SER A 1 61 ? -13.012 3.642 7.346 1.00 0.00 ? ? ? ? ? ? 58 SER A N 10 +ATOM 15378 C CA . SER A 1 61 ? -13.392 2.261 7.494 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 10 +ATOM 15379 C C . SER A 1 61 ? -12.107 1.485 7.780 1.00 0.00 ? ? ? ? ? ? 58 SER A C 10 +ATOM 15380 O O . SER A 1 61 ? -11.037 1.967 7.440 1.00 0.00 ? ? ? ? ? ? 58 SER A O 10 +ATOM 15381 C CB . SER A 1 61 ? -14.064 1.786 6.193 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 10 +ATOM 15382 O OG . SER A 1 61 ? -14.601 0.476 6.297 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 10 +ATOM 15383 H H . SER A 1 61 ? -12.052 3.811 7.232 1.00 0.00 ? ? ? ? ? ? 58 SER A H 10 +ATOM 15384 H HA . SER A 1 61 ? -14.075 2.170 8.326 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 10 +ATOM 15385 H HB2 . SER A 1 61 ? -14.869 2.461 5.947 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 10 +ATOM 15386 H HB3 . SER A 1 61 ? -13.338 1.802 5.393 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 10 +ATOM 15387 H HG . SER A 1 61 ? -15.118 0.377 7.105 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 10 +ATOM 15388 N N . GLY A 1 62 ? -12.207 0.303 8.369 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 10 +ATOM 15389 C CA . GLY A 1 62 ? -11.026 -0.450 8.800 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 10 +ATOM 15390 C C . GLY A 1 62 ? -10.267 -1.160 7.685 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 10 +ATOM 15391 O O . GLY A 1 62 ? -9.942 -2.352 7.797 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 10 +ATOM 15392 H H . GLY A 1 62 ? -13.090 -0.096 8.521 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 10 +ATOM 15393 H HA2 . GLY A 1 62 ? -10.345 0.234 9.284 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 10 +ATOM 15394 H HA3 . GLY A 1 62 ? -11.337 -1.185 9.527 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 10 +ATOM 15395 N N . TYR A 1 63 ? -9.952 -0.446 6.649 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 10 +ATOM 15396 C CA . TYR A 1 63 ? -9.190 -0.982 5.552 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 10 +ATOM 15397 C C . TYR A 1 63 ? -7.748 -0.579 5.698 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 10 +ATOM 15398 O O . TYR A 1 63 ? -7.450 0.510 6.183 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 10 +ATOM 15399 C CB . TYR A 1 63 ? -9.740 -0.514 4.207 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 10 +ATOM 15400 C CG . TYR A 1 63 ? -11.004 -1.219 3.759 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 10 +ATOM 15401 C CD1 . TYR A 1 63 ? -12.232 -0.973 4.358 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 10 +ATOM 15402 C CD2 . TYR A 1 63 ? -10.958 -2.131 2.718 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 10 +ATOM 15403 C CE1 . TYR A 1 63 ? -13.376 -1.622 3.927 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 10 +ATOM 15404 C CE2 . TYR A 1 63 ? -12.090 -2.778 2.280 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 10 +ATOM 15405 C CZ . TYR A 1 63 ? -13.296 -2.523 2.885 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 10 +ATOM 15406 O OH . TYR A 1 63 ? -14.434 -3.166 2.441 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 10 +ATOM 15407 H H . TYR A 1 63 ? -10.210 0.503 6.642 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 10 +ATOM 15408 H HA . TYR A 1 63 ? -9.258 -2.059 5.605 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 10 +ATOM 15409 H HB2 . TYR A 1 63 ? -9.963 0.541 4.271 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 10 +ATOM 15410 H HB3 . TYR A 1 63 ? -8.987 -0.666 3.449 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 10 +ATOM 15411 H HD1 . TYR A 1 63 ? -12.288 -0.266 5.173 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 10 +ATOM 15412 H HD2 . TYR A 1 63 ? -10.009 -2.329 2.245 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 10 +ATOM 15413 H HE1 . TYR A 1 63 ? -14.324 -1.419 4.404 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 10 +ATOM 15414 H HE2 . TYR A 1 63 ? -12.027 -3.483 1.466 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 10 +ATOM 15415 H HH . TYR A 1 63 ? -14.212 -4.103 2.317 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 10 +ATOM 15416 N N . ARG A 1 64 ? -6.870 -1.461 5.332 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 10 +ATOM 15417 C CA . ARG A 1 64 ? -5.453 -1.228 5.395 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 10 +ATOM 15418 C C . ARG A 1 64 ? -4.859 -1.418 4.028 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 10 +ATOM 15419 O O . ARG A 1 64 ? -5.296 -2.287 3.260 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 10 +ATOM 15420 C CB . ARG A 1 64 ? -4.735 -2.176 6.386 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 10 +ATOM 15421 C CG . ARG A 1 64 ? -4.883 -1.861 7.882 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 10 +ATOM 15422 C CD . ARG A 1 64 ? -6.305 -2.010 8.405 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 10 +ATOM 15423 N NE . ARG A 1 64 ? -6.360 -1.803 9.853 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 10 +ATOM 15424 C CZ . ARG A 1 64 ? -7.350 -2.196 10.665 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 10 +ATOM 15425 N NH1 . ARG A 1 64 ? -8.490 -2.683 10.168 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 10 +ATOM 15426 N NH2 . ARG A 1 64 ? -7.215 -2.041 11.969 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 10 +ATOM 15427 H H . ARG A 1 64 ? -7.164 -2.318 4.949 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 10 +ATOM 15428 H HA . ARG A 1 64 ? -5.294 -0.207 5.708 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 10 +ATOM 15429 H HB2 . ARG A 1 64 ? -5.111 -3.175 6.229 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 10 +ATOM 15430 H HB3 . ARG A 1 64 ? -3.682 -2.173 6.146 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 10 +ATOM 15431 H HG2 . ARG A 1 64 ? -4.248 -2.534 8.439 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 10 +ATOM 15432 H HG3 . ARG A 1 64 ? -4.547 -0.850 8.048 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 10 +ATOM 15433 H HD2 . ARG A 1 64 ? -6.931 -1.276 7.920 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 10 +ATOM 15434 H HD3 . ARG A 1 64 ? -6.669 -3.001 8.176 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 10 +ATOM 15435 H HE . ARG A 1 64 ? -5.561 -1.365 10.233 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 10 +ATOM 15436 H HH11 . ARG A 1 64 ? -8.671 -2.769 9.185 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 10 +ATOM 15437 H HH12 . ARG A 1 64 ? -9.231 -3.005 10.767 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 10 +ATOM 15438 H HH21 . ARG A 1 64 ? -6.391 -1.632 12.364 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 10 +ATOM 15439 H HH22 . ARG A 1 64 ? -7.919 -2.319 12.632 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 10 +ATOM 15440 N N . LEU A 1 65 ? -3.913 -0.613 3.715 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 10 +ATOM 15441 C CA . LEU A 1 65 ? -3.211 -0.716 2.483 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 10 +ATOM 15442 C C . LEU A 1 65 ? -1.743 -0.932 2.822 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 10 +ATOM 15443 O O . LEU A 1 65 ? -1.170 -0.180 3.621 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 10 +ATOM 15444 C CB . LEU A 1 65 ? -3.468 0.558 1.640 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 10 +ATOM 15445 C CG . LEU A 1 65 ? -2.955 0.584 0.189 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 10 +ATOM 15446 C CD1 . LEU A 1 65 ? -3.638 1.696 -0.577 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 10 +ATOM 15447 C CD2 . LEU A 1 65 ? -1.466 0.816 0.142 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 10 +ATOM 15448 H H . LEU A 1 65 ? -3.667 0.106 4.342 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 10 +ATOM 15449 H HA . LEU A 1 65 ? -3.585 -1.583 1.960 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 10 +ATOM 15450 H HB2 . LEU A 1 65 ? -4.536 0.718 1.610 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 10 +ATOM 15451 H HB3 . LEU A 1 65 ? -3.024 1.390 2.168 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 10 +ATOM 15452 H HG . LEU A 1 65 ? -3.176 -0.357 -0.294 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 10 +ATOM 15453 H HD11 . LEU A 1 65 ? -3.437 2.641 -0.094 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 10 +ATOM 15454 H HD12 . LEU A 1 65 ? -4.702 1.516 -0.608 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 10 +ATOM 15455 H HD13 . LEU A 1 65 ? -3.243 1.712 -1.582 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 10 +ATOM 15456 H HD21 . LEU A 1 65 ? -1.258 1.756 0.629 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 10 +ATOM 15457 H HD22 . LEU A 1 65 ? -1.138 0.854 -0.887 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 10 +ATOM 15458 H HD23 . LEU A 1 65 ? -0.958 0.018 0.662 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 10 +ATOM 15459 N N . VAL A 1 66 ? -1.164 -1.972 2.261 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 10 +ATOM 15460 C CA . VAL A 1 66 ? 0.204 -2.349 2.541 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 10 +ATOM 15461 C C . VAL A 1 66 ? 1.045 -2.236 1.273 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 10 +ATOM 15462 O O . VAL A 1 66 ? 0.734 -2.854 0.234 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 10 +ATOM 15463 C CB . VAL A 1 66 ? 0.290 -3.802 3.097 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 10 +ATOM 15464 C CG1 . VAL A 1 66 ? 1.731 -4.194 3.387 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 10 +ATOM 15465 C CG2 . VAL A 1 66 ? -0.556 -3.956 4.354 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 10 +ATOM 15466 H H . VAL A 1 66 ? -1.659 -2.509 1.602 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 10 +ATOM 15467 H HA . VAL A 1 66 ? 0.590 -1.669 3.285 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 10 +ATOM 15468 H HB . VAL A 1 66 ? -0.095 -4.473 2.342 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 10 +ATOM 15469 H HG11 . VAL A 1 66 ? 1.751 -5.200 3.781 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 10 +ATOM 15470 H HG12 . VAL A 1 66 ? 2.142 -3.514 4.119 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 10 +ATOM 15471 H HG13 . VAL A 1 66 ? 2.314 -4.146 2.480 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 10 +ATOM 15472 H HG21 . VAL A 1 66 ? -0.204 -3.270 5.110 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 10 +ATOM 15473 H HG22 . VAL A 1 66 ? -0.474 -4.968 4.722 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 10 +ATOM 15474 H HG23 . VAL A 1 66 ? -1.588 -3.737 4.124 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 10 +ATOM 15475 N N . TYR A 1 67 ? 2.089 -1.462 1.352 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 10 +ATOM 15476 C CA . TYR A 1 67 ? 2.970 -1.236 0.233 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 10 +ATOM 15477 C C . TYR A 1 67 ? 4.410 -1.317 0.679 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 10 +ATOM 15478 O O . TYR A 1 67 ? 4.686 -1.193 1.858 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 10 +ATOM 15479 C CB . TYR A 1 67 ? 2.681 0.129 -0.436 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 10 +ATOM 15480 C CG . TYR A 1 67 ? 2.778 1.354 0.462 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 10 +ATOM 15481 C CD1 . TYR A 1 67 ? 3.994 1.815 0.956 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 10 +ATOM 15482 C CD2 . TYR A 1 67 ? 1.649 2.066 0.778 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 10 +ATOM 15483 C CE1 . TYR A 1 67 ? 4.059 2.940 1.739 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 10 +ATOM 15484 C CE2 . TYR A 1 67 ? 1.703 3.186 1.557 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 10 +ATOM 15485 C CZ . TYR A 1 67 ? 2.912 3.622 2.039 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 10 +ATOM 15486 O OH . TYR A 1 67 ? 2.969 4.738 2.831 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 10 +ATOM 15487 H H . TYR A 1 67 ? 2.299 -1.029 2.213 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 10 +ATOM 15488 H HA . TYR A 1 67 ? 2.788 -2.019 -0.487 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 10 +ATOM 15489 H HB2 . TYR A 1 67 ? 3.344 0.282 -1.273 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 10 +ATOM 15490 H HB3 . TYR A 1 67 ? 1.669 0.095 -0.814 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 10 +ATOM 15491 H HD1 . TYR A 1 67 ? 4.896 1.268 0.721 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 10 +ATOM 15492 H HD2 . TYR A 1 67 ? 0.701 1.720 0.397 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 10 +ATOM 15493 H HE1 . TYR A 1 67 ? 5.011 3.284 2.113 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 10 +ATOM 15494 H HE2 . TYR A 1 67 ? 0.789 3.716 1.780 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 10 +ATOM 15495 H HH . TYR A 1 67 ? 2.268 4.682 3.485 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 10 +ATOM 15496 N N . GLN A 1 68 ? 5.303 -1.554 -0.232 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 10 +ATOM 15497 C CA . GLN A 1 68 ? 6.703 -1.543 0.095 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 10 +ATOM 15498 C C . GLN A 1 68 ? 7.355 -0.356 -0.591 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 10 +ATOM 15499 O O . GLN A 1 68 ? 7.011 -0.020 -1.737 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 10 +ATOM 15500 C CB . GLN A 1 68 ? 7.400 -2.862 -0.284 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 10 +ATOM 15501 C CG . GLN A 1 68 ? 7.493 -3.138 -1.777 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 10 +ATOM 15502 C CD . GLN A 1 68 ? 8.173 -4.451 -2.076 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 10 +ATOM 15503 O OE1 . GLN A 1 68 ? 7.531 -5.481 -2.214 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 10 +ATOM 15504 N NE2 . GLN A 1 68 ? 9.483 -4.438 -2.120 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 10 +ATOM 15505 H H . GLN A 1 68 ? 5.020 -1.724 -1.160 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 10 +ATOM 15506 H HA . GLN A 1 68 ? 6.780 -1.386 1.161 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 10 +ATOM 15507 H HB2 . GLN A 1 68 ? 8.405 -2.838 0.112 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 10 +ATOM 15508 H HB3 . GLN A 1 68 ? 6.866 -3.675 0.183 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 10 +ATOM 15509 H HG2 . GLN A 1 68 ? 6.494 -3.165 -2.187 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 10 +ATOM 15510 H HG3 . GLN A 1 68 ? 8.052 -2.341 -2.245 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 10 +ATOM 15511 H HE21 . GLN A 1 68 ? 9.977 -3.605 -1.958 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 10 +ATOM 15512 H HE22 . GLN A 1 68 ? 9.929 -5.292 -2.302 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 10 +ATOM 15513 N N . VAL A 1 69 ? 8.241 0.300 0.098 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 10 +ATOM 15514 C CA . VAL A 1 69 ? 8.911 1.441 -0.467 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 10 +ATOM 15515 C C . VAL A 1 69 ? 10.260 1.034 -1.007 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 10 +ATOM 15516 O O . VAL A 1 69 ? 11.167 0.640 -0.260 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 10 +ATOM 15517 C CB . VAL A 1 69 ? 9.057 2.608 0.556 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 10 +ATOM 15518 C CG1 . VAL A 1 69 ? 9.884 3.754 -0.020 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 10 +ATOM 15519 C CG2 . VAL A 1 69 ? 7.686 3.124 0.959 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 10 +ATOM 15520 H H . VAL A 1 69 ? 8.470 -0.003 1.005 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 10 +ATOM 15521 H HA . VAL A 1 69 ? 8.307 1.782 -1.295 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 10 +ATOM 15522 H HB . VAL A 1 69 ? 9.551 2.236 1.440 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 10 +ATOM 15523 H HG11 . VAL A 1 69 ? 10.868 3.387 -0.276 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 10 +ATOM 15524 H HG12 . VAL A 1 69 ? 9.977 4.534 0.722 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 10 +ATOM 15525 H HG13 . VAL A 1 69 ? 9.400 4.144 -0.902 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 10 +ATOM 15526 H HG21 . VAL A 1 69 ? 7.167 3.494 0.088 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 10 +ATOM 15527 H HG22 . VAL A 1 69 ? 7.799 3.918 1.682 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 10 +ATOM 15528 H HG23 . VAL A 1 69 ? 7.116 2.318 1.398 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 10 +ATOM 15529 N N . ILE A 1 70 ? 10.382 1.077 -2.298 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 10 +ATOM 15530 C CA . ILE A 1 70 ? 11.618 0.781 -2.923 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 10 +ATOM 15531 C C . ILE A 1 70 ? 12.272 2.107 -3.266 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 10 +ATOM 15532 O O . ILE A 1 70 ? 11.990 2.705 -4.304 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 10 +ATOM 15533 C CB . ILE A 1 70 ? 11.416 -0.058 -4.211 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 10 +ATOM 15534 C CG1 . ILE A 1 70 ? 10.506 -1.263 -3.922 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 10 +ATOM 15535 C CG2 . ILE A 1 70 ? 12.767 -0.539 -4.732 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 10 +ATOM 15536 C CD1 . ILE A 1 70 ? 10.146 -2.075 -5.148 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 10 +ATOM 15537 H H . ILE A 1 70 ? 9.622 1.344 -2.863 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 10 +ATOM 15538 H HA . ILE A 1 70 ? 12.239 0.238 -2.229 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 10 +ATOM 15539 H HB . ILE A 1 70 ? 10.954 0.563 -4.965 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 10 +ATOM 15540 H HG12 . ILE A 1 70 ? 11.005 -1.922 -3.228 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 10 +ATOM 15541 H HG13 . ILE A 1 70 ? 9.589 -0.908 -3.476 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 10 +ATOM 15542 H HG21 . ILE A 1 70 ? 13.392 0.309 -4.964 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 10 +ATOM 15543 H HG22 . ILE A 1 70 ? 12.622 -1.135 -5.621 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 10 +ATOM 15544 H HG23 . ILE A 1 70 ? 13.248 -1.138 -3.974 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 10 +ATOM 15545 H HD11 . ILE A 1 70 ? 11.048 -2.460 -5.601 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 10 +ATOM 15546 H HD12 . ILE A 1 70 ? 9.628 -1.445 -5.857 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 10 +ATOM 15547 H HD13 . ILE A 1 70 ? 9.507 -2.897 -4.861 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 10 +ATOM 15548 N N . ASP A 1 71 ? 13.128 2.566 -2.395 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 10 +ATOM 15549 C CA . ASP A 1 71 ? 13.799 3.854 -2.564 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 10 +ATOM 15550 C C . ASP A 1 71 ? 14.829 3.752 -3.659 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 10 +ATOM 15551 O O . ASP A 1 71 ? 15.091 4.716 -4.393 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 10 +ATOM 15552 C CB . ASP A 1 71 ? 14.454 4.303 -1.260 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 10 +ATOM 15553 C CG . ASP A 1 71 ? 15.198 5.607 -1.411 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 10 +ATOM 15554 O OD1 . ASP A 1 71 ? 14.577 6.685 -1.299 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 10 +ATOM 15555 O OD2 . ASP A 1 71 ? 16.420 5.588 -1.647 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 10 +ATOM 15556 H H . ASP A 1 71 ? 13.355 2.012 -1.617 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 10 +ATOM 15557 H HA . ASP A 1 71 ? 13.056 4.579 -2.856 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 10 +ATOM 15558 H HB2 . ASP A 1 71 ? 13.694 4.430 -0.504 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 10 +ATOM 15559 H HB3 . ASP A 1 71 ? 15.151 3.546 -0.935 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 10 +ATOM 15560 N N . GLU A 1 72 ? 15.356 2.552 -3.790 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 10 +ATOM 15561 C CA . GLU A 1 72 ? 16.343 2.193 -4.788 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 10 +ATOM 15562 C C . GLU A 1 72 ? 15.806 2.498 -6.187 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 10 +ATOM 15563 O O . GLU A 1 72 ? 16.531 2.984 -7.060 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 10 +ATOM 15564 C CB . GLU A 1 72 ? 16.671 0.682 -4.717 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 10 +ATOM 15565 C CG . GLU A 1 72 ? 16.992 0.114 -3.324 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 10 +ATOM 15566 C CD . GLU A 1 72 ? 15.754 -0.203 -2.488 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 10 +ATOM 15567 O OE1 . GLU A 1 72 ? 15.177 0.708 -1.872 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 10 +ATOM 15568 O OE2 . GLU A 1 72 ? 15.336 -1.365 -2.439 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 10 +ATOM 15569 H H . GLU A 1 72 ? 15.090 1.874 -3.124 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 10 +ATOM 15570 H HA . GLU A 1 72 ? 17.245 2.755 -4.604 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 10 +ATOM 15571 H HB2 . GLU A 1 72 ? 15.821 0.136 -5.100 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 10 +ATOM 15572 H HB3 . GLU A 1 72 ? 17.513 0.496 -5.364 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 10 +ATOM 15573 H HG2 . GLU A 1 72 ? 17.558 -0.798 -3.446 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 10 +ATOM 15574 H HG3 . GLU A 1 72 ? 17.594 0.836 -2.793 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 10 +ATOM 15575 N N . LYS A 1 73 ? 14.530 2.209 -6.381 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 10 +ATOM 15576 C CA . LYS A 1 73 ? 13.865 2.420 -7.657 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 10 +ATOM 15577 C C . LYS A 1 73 ? 12.897 3.601 -7.568 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 10 +ATOM 15578 O O . LYS A 1 73 ? 12.151 3.861 -8.507 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 10 +ATOM 15579 C CB . LYS A 1 73 ? 13.107 1.160 -8.080 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 10 +ATOM 15580 C CG . LYS A 1 73 ? 13.963 -0.090 -8.218 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 10 +ATOM 15581 C CD . LYS A 1 73 ? 13.106 -1.279 -8.616 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 10 +ATOM 15582 C CE . LYS A 1 73 ? 13.908 -2.566 -8.675 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 10 +ATOM 15583 N NZ . LYS A 1 73 ? 13.079 -3.713 -9.103 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 10 +ATOM 15584 H H . LYS A 1 73 ? 14.013 1.861 -5.625 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 10 +ATOM 15585 H HA . LYS A 1 73 ? 14.617 2.643 -8.398 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 10 +ATOM 15586 H HB2 . LYS A 1 73 ? 12.359 0.954 -7.330 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 10 +ATOM 15587 H HB3 . LYS A 1 73 ? 12.618 1.347 -9.025 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 10 +ATOM 15588 H HG2 . LYS A 1 73 ? 14.715 0.077 -8.974 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 10 +ATOM 15589 H HG3 . LYS A 1 73 ? 14.438 -0.298 -7.270 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 10 +ATOM 15590 H HD2 . LYS A 1 73 ? 12.314 -1.398 -7.891 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 10 +ATOM 15591 H HD3 . LYS A 1 73 ? 12.677 -1.083 -9.587 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 10 +ATOM 15592 H HE2 . LYS A 1 73 ? 14.716 -2.443 -9.379 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 10 +ATOM 15593 H HE3 . LYS A 1 73 ? 14.311 -2.767 -7.696 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 10 +ATOM 15594 H HZ1 . LYS A 1 73 ? 13.622 -4.599 -9.064 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 10 +ATOM 15595 H HZ2 . LYS A 1 73 ? 12.765 -3.581 -10.086 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 10 +ATOM 15596 H HZ3 . LYS A 1 73 ? 12.232 -3.830 -8.511 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 10 +ATOM 15597 N N . VAL A 1 74 ? 12.899 4.268 -6.402 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 10 +ATOM 15598 C CA . VAL A 1 74 ? 12.064 5.452 -6.080 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 10 +ATOM 15599 C C . VAL A 1 74 ? 10.563 5.198 -6.375 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 10 +ATOM 15600 O O . VAL A 1 74 ? 9.815 6.069 -6.825 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 10 +ATOM 15601 C CB . VAL A 1 74 ? 12.621 6.810 -6.705 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 10 +ATOM 15602 C CG1 . VAL A 1 74 ? 12.509 6.899 -8.220 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 10 +ATOM 15603 C CG2 . VAL A 1 74 ? 12.019 8.041 -6.034 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 10 +ATOM 15604 H H . VAL A 1 74 ? 13.478 3.929 -5.689 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 10 +ATOM 15605 H HA . VAL A 1 74 ? 12.120 5.518 -5.001 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 10 +ATOM 15606 H HB . VAL A 1 74 ? 13.680 6.816 -6.490 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 10 +ATOM 15607 H HG11 . VAL A 1 74 ? 13.068 6.094 -8.672 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 10 +ATOM 15608 H HG12 . VAL A 1 74 ? 12.903 7.847 -8.556 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 10 +ATOM 15609 H HG13 . VAL A 1 74 ? 11.470 6.821 -8.508 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 10 +ATOM 15610 H HG21 . VAL A 1 74 ? 10.947 8.017 -6.160 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 10 +ATOM 15611 H HG22 . VAL A 1 74 ? 12.417 8.932 -6.495 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 10 +ATOM 15612 H HG23 . VAL A 1 74 ? 12.258 8.038 -4.981 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 10 +ATOM 15613 N N . VAL A 1 75 ? 10.121 4.011 -6.035 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 10 +ATOM 15614 C CA . VAL A 1 75 ? 8.760 3.613 -6.276 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 10 +ATOM 15615 C C . VAL A 1 75 ? 8.157 2.966 -5.031 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 10 +ATOM 15616 O O . VAL A 1 75 ? 8.825 2.228 -4.296 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 10 +ATOM 15617 C CB . VAL A 1 75 ? 8.634 2.660 -7.525 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 10 +ATOM 15618 C CG1 . VAL A 1 75 ? 9.457 1.396 -7.356 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 10 +ATOM 15619 C CG2 . VAL A 1 75 ? 7.176 2.310 -7.832 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 10 +ATOM 15620 H H . VAL A 1 75 ? 10.724 3.389 -5.573 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 10 +ATOM 15621 H HA . VAL A 1 75 ? 8.204 4.516 -6.479 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 10 +ATOM 15622 H HB . VAL A 1 75 ? 9.039 3.192 -8.376 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 10 +ATOM 15623 H HG11 . VAL A 1 75 ? 10.490 1.673 -7.218 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 10 +ATOM 15624 H HG12 . VAL A 1 75 ? 9.356 0.783 -8.239 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 10 +ATOM 15625 H HG13 . VAL A 1 75 ? 9.109 0.852 -6.489 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 10 +ATOM 15626 H HG21 . VAL A 1 75 ? 7.129 1.660 -8.693 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 10 +ATOM 15627 H HG22 . VAL A 1 75 ? 6.616 3.211 -8.031 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 10 +ATOM 15628 H HG23 . VAL A 1 75 ? 6.744 1.807 -6.979 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 10 +ATOM 15629 N N . VAL A 1 76 ? 6.940 3.304 -4.780 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 10 +ATOM 15630 C CA . VAL A 1 76 ? 6.159 2.757 -3.728 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 10 +ATOM 15631 C C . VAL A 1 76 ? 5.242 1.720 -4.369 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 10 +ATOM 15632 O O . VAL A 1 76 ? 4.396 2.055 -5.210 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 10 +ATOM 15633 C CB . VAL A 1 76 ? 5.326 3.875 -3.052 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 10 +ATOM 15634 C CG1 . VAL A 1 76 ? 4.456 3.322 -1.960 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 10 +ATOM 15635 C CG2 . VAL A 1 76 ? 6.235 4.963 -2.501 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 10 +ATOM 15636 H H . VAL A 1 76 ? 6.505 3.973 -5.353 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 10 +ATOM 15637 H HA . VAL A 1 76 ? 6.810 2.290 -3.004 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 10 +ATOM 15638 H HB . VAL A 1 76 ? 4.692 4.321 -3.804 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 10 +ATOM 15639 H HG11 . VAL A 1 76 ? 5.076 2.860 -1.206 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 10 +ATOM 15640 H HG12 . VAL A 1 76 ? 3.785 2.584 -2.375 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 10 +ATOM 15641 H HG13 . VAL A 1 76 ? 3.884 4.122 -1.512 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 10 +ATOM 15642 H HG21 . VAL A 1 76 ? 6.798 5.403 -3.311 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 10 +ATOM 15643 H HG22 . VAL A 1 76 ? 6.916 4.535 -1.781 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 10 +ATOM 15644 H HG23 . VAL A 1 76 ? 5.638 5.726 -2.022 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 10 +ATOM 15645 N N . PHE A 1 77 ? 5.431 0.488 -4.009 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 10 +ATOM 15646 C CA . PHE A 1 77 ? 4.732 -0.604 -4.643 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 10 +ATOM 15647 C C . PHE A 1 77 ? 3.696 -1.197 -3.701 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 10 +ATOM 15648 O O . PHE A 1 77 ? 4.047 -1.777 -2.672 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 10 +ATOM 15649 C CB . PHE A 1 77 ? 5.759 -1.664 -5.078 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 10 +ATOM 15650 C CG . PHE A 1 77 ? 5.192 -2.848 -5.811 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 10 +ATOM 15651 C CD1 . PHE A 1 77 ? 4.804 -2.737 -7.134 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 10 +ATOM 15652 C CD2 . PHE A 1 77 ? 5.064 -4.077 -5.179 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 10 +ATOM 15653 C CE1 . PHE A 1 77 ? 4.298 -3.824 -7.815 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 10 +ATOM 15654 C CE2 . PHE A 1 77 ? 4.560 -5.167 -5.854 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 10 +ATOM 15655 C CZ . PHE A 1 77 ? 4.177 -5.040 -7.174 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 10 +ATOM 15656 H H . PHE A 1 77 ? 6.055 0.291 -3.274 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 10 +ATOM 15657 H HA . PHE A 1 77 ? 4.235 -0.227 -5.524 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 10 +ATOM 15658 H HB2 . PHE A 1 77 ? 6.480 -1.198 -5.733 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 10 +ATOM 15659 H HB3 . PHE A 1 77 ? 6.275 -2.028 -4.202 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 10 +ATOM 15660 H HD1 . PHE A 1 77 ? 4.899 -1.786 -7.636 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 10 +ATOM 15661 H HD2 . PHE A 1 77 ? 5.364 -4.174 -4.146 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 10 +ATOM 15662 H HE1 . PHE A 1 77 ? 3.997 -3.724 -8.846 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 10 +ATOM 15663 H HE2 . PHE A 1 77 ? 4.466 -6.119 -5.354 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 10 +ATOM 15664 H HZ . PHE A 1 77 ? 3.782 -5.893 -7.705 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 10 +ATOM 15665 N N . VAL A 1 78 ? 2.434 -1.032 -4.043 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 10 +ATOM 15666 C CA . VAL A 1 78 ? 1.341 -1.553 -3.247 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 10 +ATOM 15667 C C . VAL A 1 78 ? 1.240 -3.048 -3.458 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 10 +ATOM 15668 O O . VAL A 1 78 ? 1.052 -3.513 -4.589 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 10 +ATOM 15669 C CB . VAL A 1 78 ? -0.010 -0.873 -3.605 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 10 +ATOM 15670 C CG1 . VAL A 1 78 ? -1.156 -1.419 -2.750 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 10 +ATOM 15671 C CG2 . VAL A 1 78 ? 0.098 0.640 -3.453 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 10 +ATOM 15672 H H . VAL A 1 78 ? 2.240 -0.550 -4.879 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 10 +ATOM 15673 H HA . VAL A 1 78 ? 1.567 -1.369 -2.207 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 10 +ATOM 15674 H HB . VAL A 1 78 ? -0.235 -1.093 -4.639 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 10 +ATOM 15675 H HG11 . VAL A 1 78 ? -2.079 -0.922 -3.011 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 10 +ATOM 15676 H HG12 . VAL A 1 78 ? -0.943 -1.252 -1.704 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 10 +ATOM 15677 H HG13 . VAL A 1 78 ? -1.260 -2.481 -2.921 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 10 +ATOM 15678 H HG21 . VAL A 1 78 ? 0.857 1.012 -4.126 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 10 +ATOM 15679 H HG22 . VAL A 1 78 ? 0.371 0.884 -2.437 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 10 +ATOM 15680 H HG23 . VAL A 1 78 ? -0.852 1.097 -3.692 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 10 +ATOM 15681 N N . ILE A 1 79 ? 1.355 -3.792 -2.385 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 10 +ATOM 15682 C CA . ILE A 1 79 ? 1.358 -5.235 -2.458 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 10 +ATOM 15683 C C . ILE A 1 79 ? -0.048 -5.763 -2.204 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 10 +ATOM 15684 O O . ILE A 1 79 ? -0.527 -6.675 -2.889 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 10 +ATOM 15685 C CB . ILE A 1 79 ? 2.303 -5.842 -1.378 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 10 +ATOM 15686 C CG1 . ILE A 1 79 ? 3.698 -5.202 -1.438 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 10 +ATOM 15687 C CG2 . ILE A 1 79 ? 2.417 -7.357 -1.558 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 10 +ATOM 15688 C CD1 . ILE A 1 79 ? 4.622 -5.649 -0.319 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 10 +ATOM 15689 H H . ILE A 1 79 ? 1.431 -3.357 -1.505 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 10 +ATOM 15690 H HA . ILE A 1 79 ? 1.703 -5.542 -3.434 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 10 +ATOM 15691 H HB . ILE A 1 79 ? 1.868 -5.651 -0.409 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 10 +ATOM 15692 H HG12 . ILE A 1 79 ? 4.167 -5.467 -2.374 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 10 +ATOM 15693 H HG13 . ILE A 1 79 ? 3.600 -4.127 -1.383 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 10 +ATOM 15694 H HG21 . ILE A 1 79 ? 2.788 -7.573 -2.550 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 10 +ATOM 15695 H HG22 . ILE A 1 79 ? 1.447 -7.814 -1.429 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 10 +ATOM 15696 H HG23 . ILE A 1 79 ? 3.107 -7.750 -0.827 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 10 +ATOM 15697 H HD11 . ILE A 1 79 ? 5.591 -5.189 -0.446 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 10 +ATOM 15698 H HD12 . ILE A 1 79 ? 4.729 -6.723 -0.343 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 10 +ATOM 15699 H HD13 . ILE A 1 79 ? 4.209 -5.356 0.636 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 10 +ATOM 15700 N N . SER A 1 80 ? -0.711 -5.195 -1.230 1.00 0.00 ? ? ? ? ? ? 77 SER A N 10 +ATOM 15701 C CA . SER A 1 80 ? -2.024 -5.646 -0.845 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 10 +ATOM 15702 C C . SER A 1 80 ? -2.840 -4.490 -0.307 1.00 0.00 ? ? ? ? ? ? 77 SER A C 10 +ATOM 15703 O O . SER A 1 80 ? -2.289 -3.527 0.239 1.00 0.00 ? ? ? ? ? ? 77 SER A O 10 +ATOM 15704 C CB . SER A 1 80 ? -1.905 -6.758 0.208 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 10 +ATOM 15705 O OG . SER A 1 80 ? -1.157 -7.844 -0.306 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 10 +ATOM 15706 H H . SER A 1 80 ? -0.331 -4.434 -0.737 1.00 0.00 ? ? ? ? ? ? 77 SER A H 10 +ATOM 15707 H HA . SER A 1 80 ? -2.512 -6.049 -1.719 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 10 +ATOM 15708 H HB2 . SER A 1 80 ? -1.403 -6.374 1.083 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 10 +ATOM 15709 H HB3 . SER A 1 80 ? -2.888 -7.110 0.481 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 10 +ATOM 15710 H HG . SER A 1 80 ? -0.892 -7.605 -1.202 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 10 +ATOM 15711 N N . VAL A 1 81 ? -4.124 -4.571 -0.491 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 10 +ATOM 15712 C CA . VAL A 1 81 ? -5.037 -3.566 -0.033 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 10 +ATOM 15713 C C . VAL A 1 81 ? -6.379 -4.227 0.308 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 10 +ATOM 15714 O O . VAL A 1 81 ? -6.874 -5.080 -0.453 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 10 +ATOM 15715 C CB . VAL A 1 81 ? -5.198 -2.419 -1.091 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 10 +ATOM 15716 C CG1 . VAL A 1 81 ? -5.722 -2.926 -2.432 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 10 +ATOM 15717 C CG2 . VAL A 1 81 ? -6.063 -1.296 -0.561 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 10 +ATOM 15718 H H . VAL A 1 81 ? -4.504 -5.357 -0.942 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 10 +ATOM 15719 H HA . VAL A 1 81 ? -4.627 -3.153 0.878 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 10 +ATOM 15720 H HB . VAL A 1 81 ? -4.210 -2.022 -1.276 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 10 +ATOM 15721 H HG11 . VAL A 1 81 ? -5.032 -3.652 -2.837 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 10 +ATOM 15722 H HG12 . VAL A 1 81 ? -5.821 -2.100 -3.121 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 10 +ATOM 15723 H HG13 . VAL A 1 81 ? -6.686 -3.391 -2.286 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 10 +ATOM 15724 H HG21 . VAL A 1 81 ? -7.045 -1.677 -0.327 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 10 +ATOM 15725 H HG22 . VAL A 1 81 ? -6.136 -0.521 -1.309 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 10 +ATOM 15726 H HG23 . VAL A 1 81 ? -5.610 -0.890 0.332 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 10 +ATOM 15727 N N . GLY A 1 82 ? -6.918 -3.913 1.460 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 10 +ATOM 15728 C CA . GLY A 1 82 ? -8.179 -4.484 1.858 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 10 +ATOM 15729 C C . GLY A 1 82 ? -8.315 -4.524 3.355 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 10 +ATOM 15730 O O . GLY A 1 82 ? -7.676 -3.749 4.055 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 10 +ATOM 15731 H H . GLY A 1 82 ? -6.454 -3.301 2.077 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 10 +ATOM 15732 H HA2 . GLY A 1 82 ? -8.987 -3.908 1.433 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 10 +ATOM 15733 H HA3 . GLY A 1 82 ? -8.229 -5.494 1.482 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 10 +ATOM 15734 N N . LYS A 1 83 ? -9.128 -5.412 3.854 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 10 +ATOM 15735 C CA . LYS A 1 83 ? -9.310 -5.543 5.280 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 10 +ATOM 15736 C C . LYS A 1 83 ? -8.184 -6.363 5.897 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 10 +ATOM 15737 O O . LYS A 1 83 ? -7.562 -7.212 5.233 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 10 +ATOM 15738 C CB . LYS A 1 83 ? -10.684 -6.131 5.628 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 10 +ATOM 15739 C CG . LYS A 1 83 ? -11.852 -5.227 5.242 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 10 +ATOM 15740 C CD . LYS A 1 83 ? -13.198 -5.792 5.691 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 10 +ATOM 15741 C CE . LYS A 1 83 ? -13.545 -7.104 4.993 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 10 +ATOM 15742 N NZ . LYS A 1 83 ? -14.840 -7.646 5.461 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 10 +ATOM 15743 H H . LYS A 1 83 ? -9.615 -6.006 3.244 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 10 +ATOM 15744 H HA . LYS A 1 83 ? -9.248 -4.545 5.689 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 10 +ATOM 15745 H HB2 . LYS A 1 83 ? -10.794 -7.070 5.107 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 10 +ATOM 15746 H HB3 . LYS A 1 83 ? -10.730 -6.312 6.691 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 10 +ATOM 15747 H HG2 . LYS A 1 83 ? -11.712 -4.262 5.708 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 10 +ATOM 15748 H HG3 . LYS A 1 83 ? -11.861 -5.106 4.169 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 10 +ATOM 15749 H HD2 . LYS A 1 83 ? -13.165 -5.967 6.755 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 10 +ATOM 15750 H HD3 . LYS A 1 83 ? -13.966 -5.064 5.475 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 10 +ATOM 15751 H HE2 . LYS A 1 83 ? -13.602 -6.929 3.930 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 10 +ATOM 15752 H HE3 . LYS A 1 83 ? -12.767 -7.824 5.196 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 10 +ATOM 15753 H HZ1 . LYS A 1 83 ? -15.085 -8.521 4.958 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 10 +ATOM 15754 H HZ2 . LYS A 1 83 ? -15.611 -6.966 5.304 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 10 +ATOM 15755 H HZ3 . LYS A 1 83 ? -14.786 -7.865 6.478 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 10 +ATOM 15756 N N . ALA A 1 84 ? -7.919 -6.105 7.152 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 10 +ATOM 15757 C CA . ALA A 1 84 ? -6.839 -6.748 7.858 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 10 +ATOM 15758 C C . ALA A 1 84 ? -7.326 -7.258 9.192 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 10 +ATOM 15759 O O . ALA A 1 84 ? -6.542 -7.346 10.146 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 10 +ATOM 15760 C CB . ALA A 1 84 ? -5.716 -5.759 8.067 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 10 +ATOM 15761 H H . ALA A 1 84 ? -8.484 -5.464 7.633 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 10 +ATOM 15762 H HA . ALA A 1 84 ? -6.468 -7.568 7.261 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 10 +ATOM 15763 H HB1 . ALA A 1 84 ? -6.063 -4.944 8.684 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 10 +ATOM 15764 H HB2 . ALA A 1 84 ? -5.379 -5.376 7.116 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 10 +ATOM 15765 H HB3 . ALA A 1 84 ? -4.906 -6.267 8.568 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 10 +ATOM 15766 N N . GLU A 1 85 ? -8.595 -7.670 9.210 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 10 +ATOM 15767 C CA . GLU A 1 85 ? -9.305 -8.145 10.403 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 10 +ATOM 15768 C C . GLU A 1 85 ? -8.442 -9.136 11.173 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 10 +ATOM 15769 O O . GLU A 1 85 ? -8.136 -8.936 12.341 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 10 +ATOM 15770 C CB . GLU A 1 85 ? -10.605 -8.821 9.967 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 10 +ATOM 15771 C CG . GLU A 1 85 ? -11.536 -9.182 11.094 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 10 +ATOM 15772 C CD . GLU A 1 85 ? -12.044 -7.973 11.806 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 10 +ATOM 15773 O OE1 . GLU A 1 85 ? -12.875 -7.249 11.233 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 10 +ATOM 15774 O OE2 . GLU A 1 85 ? -11.612 -7.707 12.933 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 10 +ATOM 15775 H H . GLU A 1 85 ? -9.085 -7.689 8.358 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 10 +ATOM 15776 H HA . GLU A 1 85 ? -9.539 -7.303 11.033 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 10 +ATOM 15777 H HB2 . GLU A 1 85 ? -11.133 -8.153 9.303 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 10 +ATOM 15778 H HB3 . GLU A 1 85 ? -10.358 -9.723 9.428 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 10 +ATOM 15779 H HG2 . GLU A 1 85 ? -12.376 -9.721 10.683 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 10 +ATOM 15780 H HG3 . GLU A 1 85 ? -11.012 -9.811 11.799 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 10 +ATOM 15781 N N . ALA A 1 86 ? -8.020 -10.167 10.488 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 10 +ATOM 15782 C CA . ALA A 1 86 ? -7.146 -11.155 11.053 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 10 +ATOM 15783 C C . ALA A 1 86 ? -5.860 -11.233 10.234 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 10 +ATOM 15784 O O . ALA A 1 86 ? -5.478 -12.292 9.747 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 10 +ATOM 15785 C CB . ALA A 1 86 ? -7.840 -12.510 11.136 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 10 +ATOM 15786 H H . ALA A 1 86 ? -8.326 -10.270 9.562 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 10 +ATOM 15787 H HA . ALA A 1 86 ? -6.897 -10.829 12.052 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 10 +ATOM 15788 H HB1 . ALA A 1 86 ? -7.190 -13.213 11.636 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 10 +ATOM 15789 H HB2 . ALA A 1 86 ? -8.051 -12.869 10.140 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 10 +ATOM 15790 H HB3 . ALA A 1 86 ? -8.763 -12.414 11.688 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 10 +ATOM 15791 N N . SER A 1 87 ? -5.213 -10.068 10.060 1.00 0.00 ? ? ? ? ? ? 84 SER A N 10 +ATOM 15792 C CA . SER A 1 87 ? -3.918 -9.915 9.337 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 10 +ATOM 15793 C C . SER A 1 87 ? -3.961 -10.453 7.883 1.00 0.00 ? ? ? ? ? ? 84 SER A C 10 +ATOM 15794 O O . SER A 1 87 ? -2.930 -10.834 7.320 1.00 0.00 ? ? ? ? ? ? 84 SER A O 10 +ATOM 15795 C CB . SER A 1 87 ? -2.742 -10.541 10.151 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 10 +ATOM 15796 O OG . SER A 1 87 ? -2.959 -11.913 10.464 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 10 +ATOM 15797 H H . SER A 1 87 ? -5.630 -9.270 10.454 1.00 0.00 ? ? ? ? ? ? 84 SER A H 10 +ATOM 15798 H HA . SER A 1 87 ? -3.748 -8.851 9.264 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 10 +ATOM 15799 H HB2 . SER A 1 87 ? -1.830 -10.469 9.576 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 10 +ATOM 15800 H HB3 . SER A 1 87 ? -2.616 -9.989 11.070 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 10 +ATOM 15801 H HG . SER A 1 87 ? -3.854 -12.144 10.176 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 10 +ATOM 15802 N N . GLU A 1 88 ? -5.131 -10.351 7.256 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 10 +ATOM 15803 C CA . GLU A 1 88 ? -5.369 -10.896 5.914 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 10 +ATOM 15804 C C . GLU A 1 88 ? -4.380 -10.307 4.883 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 10 +ATOM 15805 O O . GLU A 1 88 ? -3.657 -11.043 4.223 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 10 +ATOM 15806 C CB . GLU A 1 88 ? -6.800 -10.549 5.507 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 10 +ATOM 15807 C CG . GLU A 1 88 ? -7.264 -11.135 4.191 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 10 +ATOM 15808 C CD . GLU A 1 88 ? -7.434 -12.628 4.217 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 10 +ATOM 15809 O OE1 . GLU A 1 88 ? -8.521 -13.104 4.594 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 10 +ATOM 15810 O OE2 . GLU A 1 88 ? -6.516 -13.351 3.816 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 10 +ATOM 15811 H H . GLU A 1 88 ? -5.875 -9.926 7.728 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 10 +ATOM 15812 H HA . GLU A 1 88 ? -5.269 -11.970 5.947 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 10 +ATOM 15813 H HB2 . GLU A 1 88 ? -7.470 -10.903 6.276 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 10 +ATOM 15814 H HB3 . GLU A 1 88 ? -6.887 -9.474 5.448 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 10 +ATOM 15815 H HG2 . GLU A 1 88 ? -8.222 -10.701 3.945 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 10 +ATOM 15816 H HG3 . GLU A 1 88 ? -6.546 -10.880 3.424 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 10 +ATOM 15817 N N . VAL A 1 89 ? -4.283 -8.982 4.827 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 10 +ATOM 15818 C CA . VAL A 1 89 ? -3.389 -8.329 3.858 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 10 +ATOM 15819 C C . VAL A 1 89 ? -1.915 -8.425 4.263 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 10 +ATOM 15820 O O . VAL A 1 89 ? -1.027 -8.149 3.470 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 10 +ATOM 15821 C CB . VAL A 1 89 ? -3.775 -6.849 3.580 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 10 +ATOM 15822 C CG1 . VAL A 1 89 ? -5.142 -6.771 2.927 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 10 +ATOM 15823 C CG2 . VAL A 1 89 ? -3.758 -6.024 4.859 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 10 +ATOM 15824 H H . VAL A 1 89 ? -4.840 -8.434 5.416 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 10 +ATOM 15825 H HA . VAL A 1 89 ? -3.498 -8.885 2.937 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 10 +ATOM 15826 H HB . VAL A 1 89 ? -3.049 -6.434 2.895 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 10 +ATOM 15827 H HG11 . VAL A 1 89 ? -5.129 -7.321 1.998 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 10 +ATOM 15828 H HG12 . VAL A 1 89 ? -5.391 -5.739 2.733 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 10 +ATOM 15829 H HG13 . VAL A 1 89 ? -5.878 -7.200 3.590 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 10 +ATOM 15830 H HG21 . VAL A 1 89 ? -4.460 -6.450 5.561 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 10 +ATOM 15831 H HG22 . VAL A 1 89 ? -4.039 -5.005 4.637 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 10 +ATOM 15832 H HG23 . VAL A 1 89 ? -2.767 -6.042 5.289 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 10 +ATOM 15833 N N . TYR A 1 90 ? -1.667 -8.849 5.483 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 10 +ATOM 15834 C CA . TYR A 1 90 ? -0.307 -8.983 5.975 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 10 +ATOM 15835 C C . TYR A 1 90 ? 0.267 -10.285 5.491 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 10 +ATOM 15836 O O . TYR A 1 90 ? 1.389 -10.325 5.003 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 10 +ATOM 15837 C CB . TYR A 1 90 ? -0.243 -8.912 7.506 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 10 +ATOM 15838 C CG . TYR A 1 90 ? -0.597 -7.561 8.109 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 10 +ATOM 15839 C CD1 . TYR A 1 90 ? -1.863 -7.012 7.966 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 10 +ATOM 15840 C CD2 . TYR A 1 90 ? 0.342 -6.845 8.839 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 10 +ATOM 15841 C CE1 . TYR A 1 90 ? -2.180 -5.794 8.525 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 10 +ATOM 15842 C CE2 . TYR A 1 90 ? 0.026 -5.622 9.402 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 10 +ATOM 15843 C CZ . TYR A 1 90 ? -1.237 -5.104 9.238 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 10 +ATOM 15844 O OH . TYR A 1 90 ? -1.568 -3.892 9.800 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 10 +ATOM 15845 H H . TYR A 1 90 ? -2.418 -9.116 6.051 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 10 +ATOM 15846 H HA . TYR A 1 90 ? 0.273 -8.173 5.555 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 10 +ATOM 15847 H HB2 . TYR A 1 90 ? -0.921 -9.650 7.906 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 10 +ATOM 15848 H HB3 . TYR A 1 90 ? 0.760 -9.168 7.818 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 10 +ATOM 15849 H HD1 . TYR A 1 90 ? -2.607 -7.555 7.402 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 10 +ATOM 15850 H HD2 . TYR A 1 90 ? 1.333 -7.253 8.964 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 10 +ATOM 15851 H HE1 . TYR A 1 90 ? -3.167 -5.377 8.400 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 10 +ATOM 15852 H HE2 . TYR A 1 90 ? 0.769 -5.078 9.963 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 10 +ATOM 15853 H HH . TYR A 1 90 ? -0.838 -3.272 9.718 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 10 +ATOM 15854 N N . SER A 1 91 ? -0.533 -11.346 5.582 1.00 0.00 ? ? ? ? ? ? 88 SER A N 10 +ATOM 15855 C CA . SER A 1 91 ? -0.111 -12.656 5.136 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 10 +ATOM 15856 C C . SER A 1 91 ? 0.068 -12.644 3.612 1.00 0.00 ? ? ? ? ? ? 88 SER A C 10 +ATOM 15857 O O . SER A 1 91 ? 0.983 -13.285 3.080 1.00 0.00 ? ? ? ? ? ? 88 SER A O 10 +ATOM 15858 C CB . SER A 1 91 ? -1.118 -13.729 5.574 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 10 +ATOM 15859 O OG . SER A 1 91 ? -0.626 -15.049 5.332 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 10 +ATOM 15860 H H . SER A 1 91 ? -1.427 -11.247 5.978 1.00 0.00 ? ? ? ? ? ? 88 SER A H 10 +ATOM 15861 H HA . SER A 1 91 ? 0.844 -12.857 5.598 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 10 +ATOM 15862 H HB2 . SER A 1 91 ? -1.320 -13.621 6.629 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 10 +ATOM 15863 H HB3 . SER A 1 91 ? -2.031 -13.593 5.013 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 10 +ATOM 15864 H HG . SER A 1 91 ? -0.912 -15.293 4.441 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 10 +ATOM 15865 N N . GLU A 1 92 ? -0.786 -11.869 2.930 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 10 +ATOM 15866 C CA . GLU A 1 92 ? -0.695 -11.690 1.480 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 10 +ATOM 15867 C C . GLU A 1 92 ? 0.649 -11.068 1.127 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 10 +ATOM 15868 O O . GLU A 1 92 ? 1.365 -11.544 0.241 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 10 +ATOM 15869 C CB . GLU A 1 92 ? -1.798 -10.747 0.991 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 10 +ATOM 15870 C CG . GLU A 1 92 ? -3.219 -11.246 1.158 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 10 +ATOM 15871 C CD . GLU A 1 92 ? -3.521 -12.437 0.304 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 10 +ATOM 15872 O OE1 . GLU A 1 92 ? -3.653 -12.277 -0.924 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 10 +ATOM 15873 O OE2 . GLU A 1 92 ? -3.686 -13.552 0.841 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 10 +ATOM 15874 H H . GLU A 1 92 ? -1.511 -11.418 3.415 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 10 +ATOM 15875 H HA . GLU A 1 92 ? -0.803 -12.648 0.994 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 10 +ATOM 15876 H HB2 . GLU A 1 92 ? -1.713 -9.815 1.531 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 10 +ATOM 15877 H HB3 . GLU A 1 92 ? -1.628 -10.549 -0.058 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 10 +ATOM 15878 H HG2 . GLU A 1 92 ? -3.371 -11.521 2.191 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 10 +ATOM 15879 H HG3 . GLU A 1 92 ? -3.902 -10.449 0.902 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 10 +ATOM 15880 N N . ALA A 1 93 ? 0.989 -10.018 1.850 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 10 +ATOM 15881 C CA . ALA A 1 93 ? 2.210 -9.288 1.622 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 10 +ATOM 15882 C C . ALA A 1 93 ? 3.446 -10.115 1.957 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 10 +ATOM 15883 O O . ALA A 1 93 ? 4.295 -10.335 1.092 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 10 +ATOM 15884 C CB . ALA A 1 93 ? 2.206 -7.982 2.403 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 10 +ATOM 15885 H H . ALA A 1 93 ? 0.380 -9.715 2.556 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 10 +ATOM 15886 H HA . ALA A 1 93 ? 2.240 -9.044 0.571 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 10 +ATOM 15887 H HB1 . ALA A 1 93 ? 3.086 -7.408 2.152 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 10 +ATOM 15888 H HB2 . ALA A 1 93 ? 2.205 -8.198 3.461 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 10 +ATOM 15889 H HB3 . ALA A 1 93 ? 1.322 -7.414 2.152 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 10 +ATOM 15890 N N . VAL A 1 94 ? 3.519 -10.619 3.190 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 10 +ATOM 15891 C CA . VAL A 1 94 ? 4.707 -11.331 3.668 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 10 +ATOM 15892 C C . VAL A 1 94 ? 5.016 -12.573 2.832 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 10 +ATOM 15893 O O . VAL A 1 94 ? 6.171 -12.830 2.510 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 10 +ATOM 15894 C CB . VAL A 1 94 ? 4.648 -11.673 5.204 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 10 +ATOM 15895 C CG1 . VAL A 1 94 ? 3.536 -12.649 5.539 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 10 +ATOM 15896 C CG2 . VAL A 1 94 ? 5.989 -12.187 5.716 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 10 +ATOM 15897 H H . VAL A 1 94 ? 2.749 -10.506 3.794 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 10 +ATOM 15898 H HA . VAL A 1 94 ? 5.534 -10.655 3.507 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 10 +ATOM 15899 H HB . VAL A 1 94 ? 4.426 -10.752 5.723 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 10 +ATOM 15900 H HG11 . VAL A 1 94 ? 2.603 -12.209 5.220 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 10 +ATOM 15901 H HG12 . VAL A 1 94 ? 3.513 -12.832 6.603 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 10 +ATOM 15902 H HG13 . VAL A 1 94 ? 3.694 -13.578 5.011 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 10 +ATOM 15903 H HG21 . VAL A 1 94 ? 6.743 -11.428 5.577 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 10 +ATOM 15904 H HG22 . VAL A 1 94 ? 6.267 -13.068 5.157 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 10 +ATOM 15905 H HG23 . VAL A 1 94 ? 5.908 -12.432 6.764 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 10 +ATOM 15906 N N . LYS A 1 95 ? 3.994 -13.297 2.413 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 10 +ATOM 15907 C CA . LYS A 1 95 ? 4.221 -14.496 1.639 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 10 +ATOM 15908 C C . LYS A 1 95 ? 4.566 -14.219 0.189 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 10 +ATOM 15909 O O . LYS A 1 95 ? 5.033 -15.103 -0.520 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 10 +ATOM 15910 C CB . LYS A 1 95 ? 3.105 -15.533 1.801 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 10 +ATOM 15911 C CG . LYS A 1 95 ? 3.041 -16.146 3.203 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 10 +ATOM 15912 C CD . LYS A 1 95 ? 4.406 -16.708 3.647 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 10 +ATOM 15913 C CE . LYS A 1 95 ? 4.925 -17.800 2.715 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 10 +ATOM 15914 N NZ . LYS A 1 95 ? 6.330 -18.150 3.010 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 10 +ATOM 15915 H H . LYS A 1 95 ? 3.076 -13.020 2.628 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 10 +ATOM 15916 H HA . LYS A 1 95 ? 5.127 -14.920 2.048 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 10 +ATOM 15917 H HB2 . LYS A 1 95 ? 2.158 -15.046 1.613 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 10 +ATOM 15918 H HB3 . LYS A 1 95 ? 3.241 -16.328 1.085 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 10 +ATOM 15919 H HG2 . LYS A 1 95 ? 2.736 -15.382 3.902 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 10 +ATOM 15920 H HG3 . LYS A 1 95 ? 2.315 -16.946 3.202 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 10 +ATOM 15921 H HD2 . LYS A 1 95 ? 5.134 -15.915 3.710 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 10 +ATOM 15922 H HD3 . LYS A 1 95 ? 4.282 -17.132 4.632 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 10 +ATOM 15923 H HE2 . LYS A 1 95 ? 4.315 -18.684 2.828 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 10 +ATOM 15924 H HE3 . LYS A 1 95 ? 4.863 -17.449 1.696 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 10 +ATOM 15925 H HZ1 . LYS A 1 95 ? 6.587 -19.017 2.499 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 10 +ATOM 15926 H HZ2 . LYS A 1 95 ? 6.505 -18.308 4.023 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 10 +ATOM 15927 H HZ3 . LYS A 1 95 ? 6.956 -17.392 2.646 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 10 +ATOM 15928 N N . ARG A 1 96 ? 4.369 -13.000 -0.249 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 10 +ATOM 15929 C CA . ARG A 1 96 ? 4.766 -12.638 -1.584 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 10 +ATOM 15930 C C . ARG A 1 96 ? 6.180 -12.046 -1.519 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 10 +ATOM 15931 O O . ARG A 1 96 ? 6.876 -11.923 -2.525 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 10 +ATOM 15932 C CB . ARG A 1 96 ? 3.766 -11.660 -2.196 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 10 +ATOM 15933 C CG . ARG A 1 96 ? 3.900 -11.490 -3.702 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 10 +ATOM 15934 C CD . ARG A 1 96 ? 2.802 -10.595 -4.240 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 10 +ATOM 15935 N NE . ARG A 1 96 ? 1.463 -11.106 -3.899 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 10 +ATOM 15936 C CZ . ARG A 1 96 ? 0.395 -10.338 -3.681 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 10 +ATOM 15937 N NH1 . ARG A 1 96 ? 0.454 -9.039 -3.948 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 10 +ATOM 15938 N NH2 . ARG A 1 96 ? -0.737 -10.878 -3.249 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 10 +ATOM 15939 H H . ARG A 1 96 ? 3.936 -12.333 0.326 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 10 +ATOM 15940 H HA . ARG A 1 96 ? 4.805 -13.544 -2.169 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 10 +ATOM 15941 H HB2 . ARG A 1 96 ? 2.765 -12.009 -1.987 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 10 +ATOM 15942 H HB3 . ARG A 1 96 ? 3.903 -10.695 -1.732 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 10 +ATOM 15943 H HG2 . ARG A 1 96 ? 4.861 -11.048 -3.922 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 10 +ATOM 15944 H HG3 . ARG A 1 96 ? 3.829 -12.458 -4.173 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 10 +ATOM 15945 H HD2 . ARG A 1 96 ? 2.919 -9.608 -3.816 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 10 +ATOM 15946 H HD3 . ARG A 1 96 ? 2.891 -10.540 -5.315 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 10 +ATOM 15947 H HE . ARG A 1 96 ? 1.402 -12.084 -3.795 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 10 +ATOM 15948 H HH11 . ARG A 1 96 ? 1.287 -8.632 -4.327 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 10 +ATOM 15949 H HH12 . ARG A 1 96 ? -0.303 -8.400 -3.778 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 10 +ATOM 15950 H HH21 . ARG A 1 96 ? -0.824 -11.863 -3.077 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 10 +ATOM 15951 H HH22 . ARG A 1 96 ? -1.566 -10.341 -3.064 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 10 +ATOM 15952 N N . ILE A 1 97 ? 6.584 -11.688 -0.314 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 10 +ATOM 15953 C CA . ILE A 1 97 ? 7.923 -11.211 -0.046 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 10 +ATOM 15954 C C . ILE A 1 97 ? 8.857 -12.414 0.124 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 10 +ATOM 15955 O O . ILE A 1 97 ? 9.920 -12.489 -0.504 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 10 +ATOM 15956 C CB . ILE A 1 97 ? 7.969 -10.310 1.234 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 10 +ATOM 15957 C CG1 . ILE A 1 97 ? 7.151 -9.017 1.041 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 10 +ATOM 15958 C CG2 . ILE A 1 97 ? 9.398 -9.983 1.651 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 10 +ATOM 15959 C CD1 . ILE A 1 97 ? 7.630 -8.131 -0.096 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 10 +ATOM 15960 H H . ILE A 1 97 ? 5.942 -11.742 0.425 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 10 +ATOM 15961 H HA . ILE A 1 97 ? 8.253 -10.635 -0.899 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 10 +ATOM 15962 H HB . ILE A 1 97 ? 7.522 -10.878 2.038 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 10 +ATOM 15963 H HG12 . ILE A 1 97 ? 6.122 -9.278 0.841 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 10 +ATOM 15964 H HG13 . ILE A 1 97 ? 7.192 -8.438 1.953 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 10 +ATOM 15965 H HG21 . ILE A 1 97 ? 9.929 -10.899 1.861 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 10 +ATOM 15966 H HG22 . ILE A 1 97 ? 9.374 -9.369 2.539 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 10 +ATOM 15967 H HG23 . ILE A 1 97 ? 9.895 -9.449 0.854 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 10 +ATOM 15968 H HD11 . ILE A 1 97 ? 7.027 -7.236 -0.131 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 10 +ATOM 15969 H HD12 . ILE A 1 97 ? 7.531 -8.659 -1.033 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 10 +ATOM 15970 H HD13 . ILE A 1 97 ? 8.663 -7.864 0.064 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 10 +ATOM 15971 N N . LEU A 1 98 ? 8.448 -13.355 0.951 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 10 +ATOM 15972 C CA . LEU A 1 98 ? 9.223 -14.542 1.191 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 10 +ATOM 15973 C C . LEU A 1 98 ? 8.490 -15.815 0.745 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 10 +ATOM 15974 O O . LEU A 1 98 ? 7.723 -16.410 1.514 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 10 +ATOM 15975 C CB . LEU A 1 98 ? 9.817 -14.571 2.640 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 10 +ATOM 15976 C CG . LEU A 1 98 ? 8.910 -14.146 3.829 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 10 +ATOM 15977 C CD1 . LEU A 1 98 ? 7.918 -15.217 4.224 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 10 +ATOM 15978 C CD2 . LEU A 1 98 ? 9.746 -13.733 5.022 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 10 +ATOM 15979 O OXT . LEU A 1 98 ? 8.649 -16.195 -0.440 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 10 +ATOM 15980 H H . LEU A 1 98 ? 7.589 -13.263 1.420 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 10 +ATOM 15981 H HA . LEU A 1 98 ? 10.046 -14.448 0.497 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 10 +ATOM 15982 H HB2 . LEU A 1 98 ? 10.149 -15.580 2.836 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 10 +ATOM 15983 H HB3 . LEU A 1 98 ? 10.691 -13.935 2.645 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 10 +ATOM 15984 H HG . LEU A 1 98 ? 8.335 -13.285 3.522 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 10 +ATOM 15985 H HD11 . LEU A 1 98 ? 7.277 -15.437 3.383 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 10 +ATOM 15986 H HD12 . LEU A 1 98 ? 7.323 -14.876 5.058 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 10 +ATOM 15987 H HD13 . LEU A 1 98 ? 8.453 -16.111 4.506 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 10 +ATOM 15988 H HD21 . LEU A 1 98 ? 10.385 -12.905 4.753 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 10 +ATOM 15989 H HD22 . LEU A 1 98 ? 10.352 -14.570 5.337 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 10 +ATOM 15990 H HD23 . LEU A 1 98 ? 9.094 -13.439 5.832 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 10 +ATOM 15991 N N . MET A 1 4 ? 12.294 14.052 -2.632 1.00 0.00 ? ? ? ? ? ? 1 MET A N 11 +ATOM 15992 C CA . MET A 1 4 ? 11.695 13.744 -3.930 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 11 +ATOM 15993 C C . MET A 1 4 ? 10.383 13.042 -3.707 1.00 0.00 ? ? ? ? ? ? 1 MET A C 11 +ATOM 15994 O O . MET A 1 4 ? 10.239 12.314 -2.733 1.00 0.00 ? ? ? ? ? ? 1 MET A O 11 +ATOM 15995 C CB . MET A 1 4 ? 12.632 12.848 -4.757 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 11 +ATOM 15996 C CG . MET A 1 4 ? 12.099 12.457 -6.126 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 11 +ATOM 15997 S SD . MET A 1 4 ? 13.230 11.397 -7.032 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 11 +ATOM 15998 C CE . MET A 1 4 ? 12.270 11.076 -8.509 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 11 +ATOM 15999 H H . MET A 1 4 ? 12.388 13.185 -2.067 1.00 0.00 ? ? ? ? ? ? 1 MET A H 11 +ATOM 16000 H HA . MET A 1 4 ? 11.516 14.667 -4.460 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 11 +ATOM 16001 H HB2 . MET A 1 4 ? 13.562 13.371 -4.911 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 11 +ATOM 16002 H HB3 . MET A 1 4 ? 12.822 11.944 -4.197 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 11 +ATOM 16003 H HG2 . MET A 1 4 ? 11.164 11.931 -6.000 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 11 +ATOM 16004 H HG3 . MET A 1 4 ? 11.932 13.355 -6.700 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 11 +ATOM 16005 H HE1 . MET A 1 4 ? 12.821 10.414 -9.160 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 11 +ATOM 16006 H HE2 . MET A 1 4 ? 12.073 12.006 -9.020 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 11 +ATOM 16007 H HE3 . MET A 1 4 ? 11.339 10.612 -8.222 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 11 +ATOM 16008 N N . ALA A 1 5 ? 9.433 13.273 -4.583 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 11 +ATOM 16009 C CA . ALA A 1 5 ? 8.167 12.595 -4.518 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 11 +ATOM 16010 C C . ALA A 1 5 ? 8.302 11.294 -5.275 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 11 +ATOM 16011 O O . ALA A 1 5 ? 8.835 11.265 -6.397 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 11 +ATOM 16012 C CB . ALA A 1 5 ? 7.057 13.453 -5.099 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 11 +ATOM 16013 H H . ALA A 1 5 ? 9.599 13.902 -5.317 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 11 +ATOM 16014 H HA . ALA A 1 5 ? 7.954 12.380 -3.480 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 11 +ATOM 16015 H HB1 . ALA A 1 5 ? 6.118 12.924 -5.028 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 11 +ATOM 16016 H HB2 . ALA A 1 5 ? 7.277 13.657 -6.135 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 11 +ATOM 16017 H HB3 . ALA A 1 5 ? 6.993 14.381 -4.552 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 11 +ATOM 16018 N N . TYR A 1 6 ? 7.855 10.241 -4.677 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 11 +ATOM 16019 C CA . TYR A 1 6 ? 8.033 8.911 -5.225 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 11 +ATOM 16020 C C . TYR A 1 6 ? 6.949 8.567 -6.225 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 11 +ATOM 16021 O O . TYR A 1 6 ? 5.952 9.287 -6.359 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 11 +ATOM 16022 C CB . TYR A 1 6 ? 8.047 7.859 -4.103 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 11 +ATOM 16023 C CG . TYR A 1 6 ? 9.206 7.953 -3.116 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 11 +ATOM 16024 C CD1 . TYR A 1 6 ? 9.489 9.132 -2.440 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 11 +ATOM 16025 C CD2 . TYR A 1 6 ? 9.995 6.846 -2.842 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 11 +ATOM 16026 C CE1 . TYR A 1 6 ? 10.513 9.212 -1.534 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 11 +ATOM 16027 C CE2 . TYR A 1 6 ? 11.019 6.917 -1.919 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 11 +ATOM 16028 C CZ . TYR A 1 6 ? 11.270 8.104 -1.270 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 11 +ATOM 16029 O OH . TYR A 1 6 ? 12.265 8.177 -0.332 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 11 +ATOM 16030 H H . TYR A 1 6 ? 7.375 10.354 -3.829 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 11 +ATOM 16031 H HA . TYR A 1 6 ? 8.990 8.884 -5.722 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 11 +ATOM 16032 H HB2 . TYR A 1 6 ? 7.134 7.947 -3.536 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 11 +ATOM 16033 H HB3 . TYR A 1 6 ? 8.075 6.879 -4.557 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 11 +ATOM 16034 H HD1 . TYR A 1 6 ? 8.890 10.005 -2.647 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 11 +ATOM 16035 H HD2 . TYR A 1 6 ? 9.796 5.917 -3.355 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 11 +ATOM 16036 H HE1 . TYR A 1 6 ? 10.708 10.146 -1.030 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 11 +ATOM 16037 H HE2 . TYR A 1 6 ? 11.624 6.046 -1.716 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 11 +ATOM 16038 H HH . TYR A 1 6 ? 13.051 7.728 -0.692 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 11 +ATOM 16039 N N . PHE A 1 7 ? 7.164 7.485 -6.928 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 11 +ATOM 16040 C CA . PHE A 1 7 ? 6.207 6.951 -7.866 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 11 +ATOM 16041 C C . PHE A 1 7 ? 5.294 5.995 -7.113 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 11 +ATOM 16042 O O . PHE A 1 7 ? 5.648 5.544 -6.031 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 11 +ATOM 16043 C CB . PHE A 1 7 ? 6.936 6.198 -8.994 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 11 +ATOM 16044 C CG . PHE A 1 7 ? 7.837 7.058 -9.838 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 11 +ATOM 16045 C CD1 . PHE A 1 7 ? 7.333 7.748 -10.921 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 11 +ATOM 16046 C CD2 . PHE A 1 7 ? 9.189 7.172 -9.548 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 11 +ATOM 16047 C CE1 . PHE A 1 7 ? 8.153 8.538 -11.701 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 11 +ATOM 16048 C CE2 . PHE A 1 7 ? 10.014 7.960 -10.320 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 11 +ATOM 16049 C CZ . PHE A 1 7 ? 9.495 8.644 -11.399 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 11 +ATOM 16050 H H . PHE A 1 7 ? 8.015 7.007 -6.801 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 11 +ATOM 16051 H HA . PHE A 1 7 ? 5.636 7.767 -8.282 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 11 +ATOM 16052 H HB2 . PHE A 1 7 ? 7.558 5.441 -8.541 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 11 +ATOM 16053 H HB3 . PHE A 1 7 ? 6.216 5.713 -9.638 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 11 +ATOM 16054 H HD1 . PHE A 1 7 ? 6.283 7.667 -11.155 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 11 +ATOM 16055 H HD2 . PHE A 1 7 ? 9.597 6.637 -8.702 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 11 +ATOM 16056 H HE1 . PHE A 1 7 ? 7.740 9.071 -12.545 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 11 +ATOM 16057 H HE2 . PHE A 1 7 ? 11.064 8.041 -10.082 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 11 +ATOM 16058 H HZ . PHE A 1 7 ? 10.139 9.262 -12.006 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 11 +ATOM 16059 N N . LEU A 1 8 ? 4.149 5.693 -7.654 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 11 +ATOM 16060 C CA . LEU A 1 8 ? 3.226 4.775 -7.004 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 11 +ATOM 16061 C C . LEU A 1 8 ? 2.884 3.670 -8.015 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 11 +ATOM 16062 O O . LEU A 1 8 ? 2.595 3.965 -9.181 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 11 +ATOM 16063 C CB . LEU A 1 8 ? 1.944 5.553 -6.562 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 11 +ATOM 16064 C CG . LEU A 1 8 ? 1.042 4.953 -5.430 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 11 +ATOM 16065 C CD1 . LEU A 1 8 ? 0.493 3.589 -5.756 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 11 +ATOM 16066 C CD2 . LEU A 1 8 ? 1.767 4.917 -4.101 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 11 +ATOM 16067 H H . LEU A 1 8 ? 3.903 6.091 -8.519 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 11 +ATOM 16068 H HA . LEU A 1 8 ? 3.713 4.343 -6.142 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 11 +ATOM 16069 H HB2 . LEU A 1 8 ? 2.253 6.536 -6.241 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 11 +ATOM 16070 H HB3 . LEU A 1 8 ? 1.330 5.677 -7.442 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 11 +ATOM 16071 H HG . LEU A 1 8 ? 0.189 5.606 -5.311 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 11 +ATOM 16072 H HD11 . LEU A 1 8 ? -0.159 3.647 -6.614 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 11 +ATOM 16073 H HD12 . LEU A 1 8 ? -0.048 3.216 -4.897 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 11 +ATOM 16074 H HD13 . LEU A 1 8 ? 1.314 2.920 -5.967 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 11 +ATOM 16075 H HD21 . LEU A 1 8 ? 2.030 5.919 -3.796 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 11 +ATOM 16076 H HD22 . LEU A 1 8 ? 2.656 4.314 -4.197 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 11 +ATOM 16077 H HD23 . LEU A 1 8 ? 1.120 4.475 -3.359 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 11 +ATOM 16078 N N . ASP A 1 9 ? 2.946 2.424 -7.600 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 11 +ATOM 16079 C CA . ASP A 1 9 ? 2.604 1.305 -8.480 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 11 +ATOM 16080 C C . ASP A 1 9 ? 1.826 0.279 -7.678 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 11 +ATOM 16081 O O . ASP A 1 9 ? 1.952 0.241 -6.460 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 11 +ATOM 16082 C CB . ASP A 1 9 ? 3.875 0.665 -9.050 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 11 +ATOM 16083 C CG . ASP A 1 9 ? 3.602 -0.217 -10.250 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 11 +ATOM 16084 O OD1 . ASP A 1 9 ? 3.239 0.331 -11.327 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 11 +ATOM 16085 O OD2 . ASP A 1 9 ? 3.780 -1.441 -10.172 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 11 +ATOM 16086 H H . ASP A 1 9 ? 3.229 2.223 -6.676 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 11 +ATOM 16087 H HA . ASP A 1 9 ? 1.989 1.676 -9.285 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 11 +ATOM 16088 H HB2 . ASP A 1 9 ? 4.587 1.428 -9.323 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 11 +ATOM 16089 H HB3 . ASP A 1 9 ? 4.302 0.047 -8.275 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 11 +ATOM 16090 N N . PHE A 1 10 ? 1.025 -0.524 -8.329 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 11 +ATOM 16091 C CA . PHE A 1 10 ? 0.220 -1.534 -7.641 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 11 +ATOM 16092 C C . PHE A 1 10 ? 0.512 -2.915 -8.193 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 11 +ATOM 16093 O O . PHE A 1 10 ? 0.598 -3.096 -9.412 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 11 +ATOM 16094 C CB . PHE A 1 10 ? -1.287 -1.286 -7.824 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 11 +ATOM 16095 C CG . PHE A 1 10 ? -1.858 -0.036 -7.219 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 11 +ATOM 16096 C CD1 . PHE A 1 10 ? -1.801 1.169 -7.891 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 11 +ATOM 16097 C CD2 . PHE A 1 10 ? -2.494 -0.083 -5.993 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 11 +ATOM 16098 C CE1 . PHE A 1 10 ? -2.364 2.303 -7.351 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 11 +ATOM 16099 C CE2 . PHE A 1 10 ? -3.054 1.050 -5.444 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 11 +ATOM 16100 C CZ . PHE A 1 10 ? -2.991 2.245 -6.125 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 11 +ATOM 16101 H H . PHE A 1 10 ? 0.972 -0.470 -9.308 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 11 +ATOM 16102 H HA . PHE A 1 10 ? 0.450 -1.510 -6.586 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 11 +ATOM 16103 H HB2 . PHE A 1 10 ? -1.497 -1.238 -8.882 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 11 +ATOM 16104 H HB3 . PHE A 1 10 ? -1.821 -2.129 -7.412 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 11 +ATOM 16105 H HD1 . PHE A 1 10 ? -1.306 1.216 -8.849 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 11 +ATOM 16106 H HD2 . PHE A 1 10 ? -2.545 -1.019 -5.458 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 11 +ATOM 16107 H HE1 . PHE A 1 10 ? -2.313 3.239 -7.886 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 11 +ATOM 16108 H HE2 . PHE A 1 10 ? -3.545 0.999 -4.484 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 11 +ATOM 16109 H HZ . PHE A 1 10 ? -3.433 3.135 -5.701 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 11 +ATOM 16110 N N . ASP A 1 11 ? 0.670 -3.876 -7.315 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 11 +ATOM 16111 C CA . ASP A 1 11 ? 0.800 -5.287 -7.707 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 11 +ATOM 16112 C C . ASP A 1 11 ? -0.531 -5.771 -8.284 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 11 +ATOM 16113 O O . ASP A 1 11 ? -1.572 -5.187 -7.973 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 11 +ATOM 16114 C CB . ASP A 1 11 ? 1.198 -6.156 -6.502 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 11 +ATOM 16115 C CG . ASP A 1 11 ? 1.255 -7.631 -6.839 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 11 +ATOM 16116 O OD1 . ASP A 1 11 ? 2.287 -8.110 -7.369 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 11 +ATOM 16117 O OD2 . ASP A 1 11 ? 0.268 -8.335 -6.602 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 11 +ATOM 16118 H H . ASP A 1 11 ? 0.707 -3.649 -6.358 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 11 +ATOM 16119 H HA . ASP A 1 11 ? 1.560 -5.351 -8.472 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 11 +ATOM 16120 H HB2 . ASP A 1 11 ? 2.173 -5.850 -6.152 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 11 +ATOM 16121 H HB3 . ASP A 1 11 ? 0.479 -6.013 -5.710 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 11 +ATOM 16122 N N . GLU A 1 12 ? -0.505 -6.807 -9.126 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 11 +ATOM 16123 C CA . GLU A 1 12 ? -1.720 -7.348 -9.733 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 11 +ATOM 16124 C C . GLU A 1 12 ? -2.779 -7.691 -8.665 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 11 +ATOM 16125 O O . GLU A 1 12 ? -3.957 -7.396 -8.843 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 11 +ATOM 16126 C CB . GLU A 1 12 ? -1.426 -8.610 -10.568 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 11 +ATOM 16127 C CG . GLU A 1 12 ? -0.820 -9.756 -9.766 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 11 +ATOM 16128 C CD . GLU A 1 12 ? -0.933 -11.073 -10.460 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 11 +ATOM 16129 O OE1 . GLU A 1 12 ? -2.008 -11.703 -10.386 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 11 +ATOM 16130 O OE2 . GLU A 1 12 ? 0.038 -11.529 -11.081 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 11 +ATOM 16131 H H . GLU A 1 12 ? 0.359 -7.218 -9.350 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 11 +ATOM 16132 H HA . GLU A 1 12 ? -2.126 -6.588 -10.384 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 11 +ATOM 16133 H HB2 . GLU A 1 12 ? -2.349 -8.961 -11.008 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 11 +ATOM 16134 H HB3 . GLU A 1 12 ? -0.740 -8.350 -11.360 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 11 +ATOM 16135 H HG2 . GLU A 1 12 ? 0.224 -9.549 -9.587 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 11 +ATOM 16136 H HG3 . GLU A 1 12 ? -1.336 -9.817 -8.820 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 11 +ATOM 16137 N N . ARG A 1 13 ? -2.348 -8.266 -7.538 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 11 +ATOM 16138 C CA . ARG A 1 13 ? -3.265 -8.633 -6.477 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 11 +ATOM 16139 C C . ARG A 1 13 ? -3.807 -7.406 -5.811 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 11 +ATOM 16140 O O . ARG A 1 13 ? -4.990 -7.335 -5.512 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 11 +ATOM 16141 C CB . ARG A 1 13 ? -2.614 -9.580 -5.466 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 11 +ATOM 16142 C CG . ARG A 1 13 ? -2.465 -11.014 -5.969 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 11 +ATOM 16143 C CD . ARG A 1 13 ? -3.818 -11.686 -6.105 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 11 +ATOM 16144 N NE . ARG A 1 13 ? -4.515 -11.766 -4.814 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 11 +ATOM 16145 C CZ . ARG A 1 13 ? -5.817 -12.039 -4.648 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 11 +ATOM 16146 N NH1 . ARG A 1 13 ? -6.581 -12.317 -5.697 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 11 +ATOM 16147 N NH2 . ARG A 1 13 ? -6.334 -12.061 -3.429 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 11 +ATOM 16148 H H . ARG A 1 13 ? -1.379 -8.414 -7.403 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 11 +ATOM 16149 H HA . ARG A 1 13 ? -4.097 -9.137 -6.944 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 11 +ATOM 16150 H HB2 . ARG A 1 13 ? -1.632 -9.204 -5.223 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 11 +ATOM 16151 H HB3 . ARG A 1 13 ? -3.215 -9.597 -4.568 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 11 +ATOM 16152 H HG2 . ARG A 1 13 ? -1.981 -11.012 -6.933 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 11 +ATOM 16153 H HG3 . ARG A 1 13 ? -1.876 -11.590 -5.273 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 11 +ATOM 16154 H HD2 . ARG A 1 13 ? -4.425 -11.129 -6.802 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 11 +ATOM 16155 H HD3 . ARG A 1 13 ? -3.669 -12.686 -6.479 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 11 +ATOM 16156 H HE . ARG A 1 13 ? -3.940 -11.605 -4.021 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 11 +ATOM 16157 H HH11 . ARG A 1 13 ? -6.223 -12.343 -6.633 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 11 +ATOM 16158 H HH12 . ARG A 1 13 ? -7.557 -12.520 -5.585 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 11 +ATOM 16159 H HH21 . ARG A 1 13 ? -5.759 -11.877 -2.616 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 11 +ATOM 16160 H HH22 . ARG A 1 13 ? -7.300 -12.259 -3.238 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 11 +ATOM 16161 N N . ALA A 1 14 ? -2.957 -6.414 -5.655 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 11 +ATOM 16162 C CA . ALA A 1 14 ? -3.351 -5.155 -5.070 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 11 +ATOM 16163 C C . ALA A 1 14 ? -4.397 -4.480 -5.947 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 11 +ATOM 16164 O O . ALA A 1 14 ? -5.355 -3.934 -5.448 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 11 +ATOM 16165 C CB . ALA A 1 14 ? -2.151 -4.249 -4.874 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 11 +ATOM 16166 H H . ALA A 1 14 ? -2.033 -6.545 -5.961 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 11 +ATOM 16167 H HA . ALA A 1 14 ? -3.790 -5.366 -4.105 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 11 +ATOM 16168 H HB1 . ALA A 1 14 ? -1.699 -4.039 -5.832 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 11 +ATOM 16169 H HB2 . ALA A 1 14 ? -1.427 -4.734 -4.233 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 11 +ATOM 16170 H HB3 . ALA A 1 14 ? -2.472 -3.324 -4.421 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 11 +ATOM 16171 N N . LEU A 1 15 ? -4.224 -4.579 -7.263 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 11 +ATOM 16172 C CA . LEU A 1 15 ? -5.165 -4.011 -8.215 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 11 +ATOM 16173 C C . LEU A 1 15 ? -6.496 -4.718 -8.153 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 11 +ATOM 16174 O O . LEU A 1 15 ? -7.540 -4.082 -8.166 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 11 +ATOM 16175 C CB . LEU A 1 15 ? -4.612 -4.061 -9.637 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 11 +ATOM 16176 C CG . LEU A 1 15 ? -3.558 -3.019 -9.998 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 11 +ATOM 16177 C CD1 . LEU A 1 15 ? -2.993 -3.304 -11.381 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 11 +ATOM 16178 C CD2 . LEU A 1 15 ? -4.169 -1.616 -9.962 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 11 +ATOM 16179 H H . LEU A 1 15 ? -3.434 -5.052 -7.609 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 11 +ATOM 16180 H HA . LEU A 1 15 ? -5.317 -2.978 -7.942 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 11 +ATOM 16181 H HB2 . LEU A 1 15 ? -4.175 -5.038 -9.782 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 11 +ATOM 16182 H HB3 . LEU A 1 15 ? -5.440 -3.961 -10.319 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 11 +ATOM 16183 H HG . LEU A 1 15 ? -2.749 -3.058 -9.283 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 11 +ATOM 16184 H HD11 . LEU A 1 15 ? -2.531 -4.280 -11.388 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 11 +ATOM 16185 H HD12 . LEU A 1 15 ? -2.255 -2.556 -11.631 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 11 +ATOM 16186 H HD13 . LEU A 1 15 ? -3.792 -3.280 -12.107 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 11 +ATOM 16187 H HD21 . LEU A 1 15 ? -4.526 -1.388 -8.968 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 11 +ATOM 16188 H HD22 . LEU A 1 15 ? -5.002 -1.568 -10.646 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 11 +ATOM 16189 H HD23 . LEU A 1 15 ? -3.424 -0.890 -10.252 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 11 +ATOM 16190 N N . LYS A 1 16 ? -6.452 -6.025 -8.066 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 11 +ATOM 16191 C CA . LYS A 1 16 ? -7.651 -6.839 -7.997 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 11 +ATOM 16192 C C . LYS A 1 16 ? -8.470 -6.499 -6.761 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 11 +ATOM 16193 O O . LYS A 1 16 ? -9.705 -6.359 -6.832 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 11 +ATOM 16194 C CB . LYS A 1 16 ? -7.267 -8.314 -8.014 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 11 +ATOM 16195 C CG . LYS A 1 16 ? -6.670 -8.737 -9.337 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 11 +ATOM 16196 C CD . LYS A 1 16 ? -5.956 -10.065 -9.250 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 11 +ATOM 16197 C CE . LYS A 1 16 ? -5.479 -10.487 -10.635 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 11 +ATOM 16198 N NZ . LYS A 1 16 ? -4.717 -11.755 -10.643 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 11 +ATOM 16199 H H . LYS A 1 16 ? -5.570 -6.461 -8.050 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 11 +ATOM 16200 H HA . LYS A 1 16 ? -8.235 -6.624 -8.878 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 11 +ATOM 16201 H HB2 . LYS A 1 16 ? -6.543 -8.498 -7.233 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 11 +ATOM 16202 H HB3 . LYS A 1 16 ? -8.147 -8.912 -7.831 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 11 +ATOM 16203 H HG2 . LYS A 1 16 ? -7.457 -8.816 -10.070 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 11 +ATOM 16204 H HG3 . LYS A 1 16 ? -5.966 -7.980 -9.651 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 11 +ATOM 16205 H HD2 . LYS A 1 16 ? -5.110 -9.917 -8.591 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 11 +ATOM 16206 H HD3 . LYS A 1 16 ? -6.622 -10.806 -8.834 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 11 +ATOM 16207 H HE2 . LYS A 1 16 ? -6.339 -10.606 -11.277 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 11 +ATOM 16208 H HE3 . LYS A 1 16 ? -4.853 -9.701 -11.033 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 11 +ATOM 16209 H HZ1 . LYS A 1 16 ? -3.778 -11.671 -10.195 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 11 +ATOM 16210 H HZ2 . LYS A 1 16 ? -4.546 -12.043 -11.627 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 11 +ATOM 16211 H HZ3 . LYS A 1 16 ? -5.246 -12.521 -10.179 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 11 +ATOM 16212 N N . GLU A 1 17 ? -7.792 -6.354 -5.649 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 11 +ATOM 16213 C CA . GLU A 1 17 ? -8.419 -5.979 -4.403 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 11 +ATOM 16214 C C . GLU A 1 17 ? -8.896 -4.509 -4.450 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 11 +ATOM 16215 O O . GLU A 1 17 ? -9.977 -4.189 -3.992 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 11 +ATOM 16216 C CB . GLU A 1 17 ? -7.449 -6.232 -3.252 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 11 +ATOM 16217 C CG . GLU A 1 17 ? -6.998 -7.694 -3.156 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 11 +ATOM 16218 C CD . GLU A 1 17 ? -8.123 -8.649 -2.829 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 11 +ATOM 16219 O OE1 . GLU A 1 17 ? -8.778 -9.146 -3.751 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 11 +ATOM 16220 O OE2 . GLU A 1 17 ? -8.370 -8.909 -1.641 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 11 +ATOM 16221 H H . GLU A 1 17 ? -6.824 -6.529 -5.645 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 11 +ATOM 16222 H HA . GLU A 1 17 ? -9.285 -6.612 -4.278 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 11 +ATOM 16223 H HB2 . GLU A 1 17 ? -6.574 -5.614 -3.392 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 11 +ATOM 16224 H HB3 . GLU A 1 17 ? -7.929 -5.961 -2.323 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 11 +ATOM 16225 H HG2 . GLU A 1 17 ? -6.614 -7.969 -4.127 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 11 +ATOM 16226 H HG3 . GLU A 1 17 ? -6.204 -7.808 -2.435 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 11 +ATOM 16227 N N . TRP A 1 18 ? -8.091 -3.649 -5.053 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 11 +ATOM 16228 C CA . TRP A 1 18 ? -8.386 -2.212 -5.213 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 11 +ATOM 16229 C C . TRP A 1 18 ? -9.667 -2.001 -6.039 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 11 +ATOM 16230 O O . TRP A 1 18 ? -10.511 -1.152 -5.716 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 11 +ATOM 16231 C CB . TRP A 1 18 ? -7.180 -1.537 -5.902 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 11 +ATOM 16232 C CG . TRP A 1 18 ? -7.288 -0.063 -6.139 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 11 +ATOM 16233 C CD1 . TRP A 1 18 ? -7.738 0.552 -7.270 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 11 +ATOM 16234 C CD2 . TRP A 1 18 ? -6.902 0.978 -5.240 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 11 +ATOM 16235 N NE1 . TRP A 1 18 ? -7.671 1.913 -7.119 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 11 +ATOM 16236 C CE2 . TRP A 1 18 ? -7.160 2.202 -5.883 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 11 +ATOM 16237 C CE3 . TRP A 1 18 ? -6.371 0.995 -3.948 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 11 +ATOM 16238 C CZ2 . TRP A 1 18 ? -6.903 3.426 -5.283 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 11 +ATOM 16239 C CZ3 . TRP A 1 18 ? -6.114 2.211 -3.355 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 11 +ATOM 16240 C CH2 . TRP A 1 18 ? -6.380 3.410 -4.020 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 11 +ATOM 16241 H H . TRP A 1 18 ? -7.228 -3.978 -5.391 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 11 +ATOM 16242 H HA . TRP A 1 18 ? -8.517 -1.779 -4.234 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 11 +ATOM 16243 H HB2 . TRP A 1 18 ? -6.301 -1.690 -5.292 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 11 +ATOM 16244 H HB3 . TRP A 1 18 ? -7.023 -2.019 -6.855 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 11 +ATOM 16245 H HD1 . TRP A 1 18 ? -8.092 0.025 -8.144 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 11 +ATOM 16246 H HE1 . TRP A 1 18 ? -7.948 2.570 -7.797 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 11 +ATOM 16247 H HE3 . TRP A 1 18 ? -6.159 0.078 -3.420 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 11 +ATOM 16248 H HZ2 . TRP A 1 18 ? -7.103 4.360 -5.787 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 11 +ATOM 16249 H HZ3 . TRP A 1 18 ? -5.699 2.247 -2.358 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 11 +ATOM 16250 H HH2 . TRP A 1 18 ? -6.162 4.340 -3.516 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 11 +ATOM 16251 N N . ARG A 1 19 ? -9.806 -2.778 -7.097 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 11 +ATOM 16252 C CA . ARG A 1 19 ? -10.980 -2.704 -7.960 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 11 +ATOM 16253 C C . ARG A 1 19 ? -12.190 -3.318 -7.253 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 11 +ATOM 16254 O O . ARG A 1 19 ? -13.336 -2.957 -7.527 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 11 +ATOM 16255 C CB . ARG A 1 19 ? -10.710 -3.394 -9.304 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 11 +ATOM 16256 C CG . ARG A 1 19 ? -9.536 -2.790 -10.071 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 11 +ATOM 16257 C CD . ARG A 1 19 ? -9.233 -3.548 -11.354 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 11 +ATOM 16258 N NE . ARG A 1 19 ? -10.284 -3.385 -12.364 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 11 +ATOM 16259 C CZ . ARG A 1 19 ? -10.338 -4.039 -13.528 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 11 +ATOM 16260 N NH1 . ARG A 1 19 ? -9.486 -5.023 -13.789 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 11 +ATOM 16261 N NH2 . ARG A 1 19 ? -11.272 -3.727 -14.420 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 11 +ATOM 16262 H H . ARG A 1 19 ? -9.078 -3.407 -7.306 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 11 +ATOM 16263 H HA . ARG A 1 19 ? -11.186 -1.658 -8.133 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 11 +ATOM 16264 H HB2 . ARG A 1 19 ? -10.493 -4.437 -9.122 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 11 +ATOM 16265 H HB3 . ARG A 1 19 ? -11.593 -3.323 -9.922 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 11 +ATOM 16266 H HG2 . ARG A 1 19 ? -9.771 -1.766 -10.321 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 11 +ATOM 16267 H HG3 . ARG A 1 19 ? -8.663 -2.809 -9.435 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 11 +ATOM 16268 H HD2 . ARG A 1 19 ? -8.301 -3.184 -11.764 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 11 +ATOM 16269 H HD3 . ARG A 1 19 ? -9.133 -4.598 -11.124 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 11 +ATOM 16270 H HE . ARG A 1 19 ? -10.948 -2.689 -12.151 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 11 +ATOM 16271 H HH11 . ARG A 1 19 ? -8.772 -5.326 -13.153 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 11 +ATOM 16272 H HH12 . ARG A 1 19 ? -9.525 -5.528 -14.657 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 11 +ATOM 16273 H HH21 . ARG A 1 19 ? -11.956 -3.009 -14.255 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 11 +ATOM 16274 H HH22 . ARG A 1 19 ? -11.312 -4.172 -15.320 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 11 +ATOM 16275 N N . LYS A 1 20 ? -11.918 -4.241 -6.342 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 11 +ATOM 16276 C CA . LYS A 1 20 ? -12.944 -4.864 -5.514 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 11 +ATOM 16277 C C . LYS A 1 20 ? -13.454 -3.849 -4.479 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 11 +ATOM 16278 O O . LYS A 1 20 ? -14.640 -3.832 -4.139 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 11 +ATOM 16279 C CB . LYS A 1 20 ? -12.351 -6.082 -4.796 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 11 +ATOM 16280 C CG . LYS A 1 20 ? -13.313 -6.831 -3.892 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 11 +ATOM 16281 C CD . LYS A 1 20 ? -12.568 -7.864 -3.069 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 11 +ATOM 16282 C CE . LYS A 1 20 ? -13.492 -8.625 -2.137 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 11 +ATOM 16283 N NZ . LYS A 1 20 ? -14.429 -9.511 -2.859 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 11 +ATOM 16284 H H . LYS A 1 20 ? -10.984 -4.519 -6.219 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 11 +ATOM 16285 H HA . LYS A 1 20 ? -13.768 -5.183 -6.135 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 11 +ATOM 16286 H HB2 . LYS A 1 20 ? -11.989 -6.777 -5.537 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 11 +ATOM 16287 H HB3 . LYS A 1 20 ? -11.515 -5.747 -4.200 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 11 +ATOM 16288 H HG2 . LYS A 1 20 ? -13.793 -6.127 -3.230 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 11 +ATOM 16289 H HG3 . LYS A 1 20 ? -14.059 -7.328 -4.495 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 11 +ATOM 16290 H HD2 . LYS A 1 20 ? -12.097 -8.566 -3.739 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 11 +ATOM 16291 H HD3 . LYS A 1 20 ? -11.810 -7.363 -2.485 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 11 +ATOM 16292 H HE2 . LYS A 1 20 ? -12.899 -9.217 -1.456 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 11 +ATOM 16293 H HE3 . LYS A 1 20 ? -14.062 -7.896 -1.581 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 11 +ATOM 16294 H HZ1 . LYS A 1 20 ? -15.018 -10.029 -2.175 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 11 +ATOM 16295 H HZ2 . LYS A 1 20 ? -13.903 -10.230 -3.396 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 11 +ATOM 16296 H HZ3 . LYS A 1 20 ? -15.053 -9.003 -3.515 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 11 +ATOM 16297 N N . LEU A 1 21 ? -12.546 -3.011 -3.993 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 11 +ATOM 16298 C CA . LEU A 1 21 ? -12.856 -1.980 -3.014 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 11 +ATOM 16299 C C . LEU A 1 21 ? -13.868 -0.986 -3.523 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 11 +ATOM 16300 O O . LEU A 1 21 ? -13.986 -0.742 -4.737 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 11 +ATOM 16301 C CB . LEU A 1 21 ? -11.595 -1.233 -2.574 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 11 +ATOM 16302 C CG . LEU A 1 21 ? -11.023 -1.578 -1.201 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 11 +ATOM 16303 C CD1 . LEU A 1 21 ? -10.671 -3.049 -1.083 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 11 +ATOM 16304 C CD2 . LEU A 1 21 ? -9.816 -0.721 -0.930 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 11 +ATOM 16305 H H . LEU A 1 21 ? -11.617 -3.096 -4.298 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 11 +ATOM 16306 H HA . LEU A 1 21 ? -13.269 -2.470 -2.145 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 11 +ATOM 16307 H HB2 . LEU A 1 21 ? -10.828 -1.420 -3.311 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 11 +ATOM 16308 H HB3 . LEU A 1 21 ? -11.820 -0.175 -2.586 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 11 +ATOM 16309 H HG . LEU A 1 21 ? -11.758 -1.348 -0.443 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 11 +ATOM 16310 H HD11 . LEU A 1 21 ? -10.273 -3.244 -0.099 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 11 +ATOM 16311 H HD12 . LEU A 1 21 ? -9.936 -3.304 -1.833 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 11 +ATOM 16312 H HD13 . LEU A 1 21 ? -11.564 -3.637 -1.236 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 11 +ATOM 16313 H HD21 . LEU A 1 21 ? -9.406 -0.962 0.038 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 11 +ATOM 16314 H HD22 . LEU A 1 21 ? -10.122 0.315 -0.944 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 11 +ATOM 16315 H HD23 . LEU A 1 21 ? -9.073 -0.891 -1.695 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 11 +ATOM 16316 N N . GLY A 1 22 ? -14.584 -0.415 -2.597 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 11 +ATOM 16317 C CA . GLY A 1 22 ? -15.575 0.563 -2.915 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 11 +ATOM 16318 C C . GLY A 1 22 ? -14.934 1.867 -3.295 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 11 +ATOM 16319 O O . GLY A 1 22 ? -13.801 2.152 -2.864 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 11 +ATOM 16320 H H . GLY A 1 22 ? -14.413 -0.651 -1.663 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 11 +ATOM 16321 H HA2 . GLY A 1 22 ? -16.172 0.204 -3.741 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 11 +ATOM 16322 H HA3 . GLY A 1 22 ? -16.210 0.717 -2.057 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 11 +ATOM 16323 N N . SER A 1 23 ? -15.651 2.656 -4.055 1.00 0.00 ? ? ? ? ? ? 20 SER A N 11 +ATOM 16324 C CA . SER A 1 23 ? -15.175 3.907 -4.604 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 11 +ATOM 16325 C C . SER A 1 23 ? -14.662 4.869 -3.530 1.00 0.00 ? ? ? ? ? ? 20 SER A C 11 +ATOM 16326 O O . SER A 1 23 ? -13.519 5.292 -3.577 1.00 0.00 ? ? ? ? ? ? 20 SER A O 11 +ATOM 16327 C CB . SER A 1 23 ? -16.311 4.512 -5.406 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 11 +ATOM 16328 O OG . SER A 1 23 ? -17.543 4.300 -4.721 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 11 +ATOM 16329 H H . SER A 1 23 ? -16.588 2.436 -4.246 1.00 0.00 ? ? ? ? ? ? 20 SER A H 11 +ATOM 16330 H HA . SER A 1 23 ? -14.369 3.685 -5.286 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 11 +ATOM 16331 H HB2 . SER A 1 23 ? -16.149 5.573 -5.516 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 11 +ATOM 16332 H HB3 . SER A 1 23 ? -16.368 4.045 -6.377 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 11 +ATOM 16333 H HG . SER A 1 23 ? -18.244 4.723 -5.232 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 11 +ATOM 16334 N N . THR A 1 24 ? -15.487 5.133 -2.556 1.00 0.00 ? ? ? ? ? ? 21 THR A N 11 +ATOM 16335 C CA . THR A 1 24 ? -15.198 6.051 -1.465 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 11 +ATOM 16336 C C . THR A 1 24 ? -13.928 5.625 -0.712 1.00 0.00 ? ? ? ? ? ? 21 THR A C 11 +ATOM 16337 O O . THR A 1 24 ? -13.054 6.449 -0.415 1.00 0.00 ? ? ? ? ? ? 21 THR A O 11 +ATOM 16338 C CB . THR A 1 24 ? -16.394 6.062 -0.490 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 11 +ATOM 16339 O OG1 . THR A 1 24 ? -17.612 6.240 -1.241 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 11 +ATOM 16340 C CG2 . THR A 1 24 ? -16.266 7.185 0.532 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 11 +ATOM 16341 H H . THR A 1 24 ? -16.353 4.681 -2.568 1.00 0.00 ? ? ? ? ? ? 21 THR A H 11 +ATOM 16342 H HA . THR A 1 24 ? -15.074 7.045 -1.868 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 11 +ATOM 16343 H HB . THR A 1 24 ? -16.431 5.112 0.022 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 11 +ATOM 16344 H HG1 . THR A 1 24 ? -17.876 7.161 -1.150 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 11 +ATOM 16345 H HG21 . THR A 1 24 ? -16.214 8.133 0.019 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 11 +ATOM 16346 H HG22 . THR A 1 24 ? -15.365 7.040 1.110 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 11 +ATOM 16347 H HG23 . THR A 1 24 ? -17.123 7.177 1.189 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 11 +ATOM 16348 N N . VAL A 1 25 ? -13.806 4.331 -0.482 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 11 +ATOM 16349 C CA . VAL A 1 25 ? -12.692 3.791 0.265 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 11 +ATOM 16350 C C . VAL A 1 25 ? -11.412 3.942 -0.532 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 11 +ATOM 16351 O O . VAL A 1 25 ? -10.411 4.453 -0.027 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 11 +ATOM 16352 C CB . VAL A 1 25 ? -12.913 2.285 0.580 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 11 +ATOM 16353 C CG1 . VAL A 1 25 ? -11.729 1.699 1.323 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 11 +ATOM 16354 C CG2 . VAL A 1 25 ? -14.187 2.078 1.376 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 11 +ATOM 16355 H H . VAL A 1 25 ? -14.485 3.727 -0.852 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 11 +ATOM 16356 H HA . VAL A 1 25 ? -12.596 4.331 1.196 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 11 +ATOM 16357 H HB . VAL A 1 25 ? -13.012 1.761 -0.359 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 11 +ATOM 16358 H HG11 . VAL A 1 25 ? -11.905 0.649 1.510 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 11 +ATOM 16359 H HG12 . VAL A 1 25 ? -11.599 2.214 2.263 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 11 +ATOM 16360 H HG13 . VAL A 1 25 ? -10.837 1.813 0.725 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 11 +ATOM 16361 H HG21 . VAL A 1 25 ? -14.104 2.599 2.318 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 11 +ATOM 16362 H HG22 . VAL A 1 25 ? -14.339 1.025 1.560 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 11 +ATOM 16363 H HG23 . VAL A 1 25 ? -15.024 2.474 0.823 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 11 +ATOM 16364 N N . ARG A 1 26 ? -11.460 3.554 -1.784 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 11 +ATOM 16365 C CA . ARG A 1 26 ? -10.295 3.632 -2.613 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 11 +ATOM 16366 C C . ARG A 1 26 ? -9.890 5.068 -2.925 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 11 +ATOM 16367 O O . ARG A 1 26 ? -8.706 5.359 -3.023 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 11 +ATOM 16368 C CB . ARG A 1 26 ? -10.377 2.776 -3.863 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 11 +ATOM 16369 C CG . ARG A 1 26 ? -11.546 3.055 -4.770 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 11 +ATOM 16370 C CD . ARG A 1 26 ? -11.257 2.468 -6.128 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 11 +ATOM 16371 N NE . ARG A 1 26 ? -12.362 2.616 -7.080 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 11 +ATOM 16372 C CZ . ARG A 1 26 ? -13.005 1.586 -7.669 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 11 +ATOM 16373 N NH1 . ARG A 1 26 ? -12.790 0.328 -7.264 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 11 +ATOM 16374 N NH2 . ARG A 1 26 ? -13.882 1.818 -8.641 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 11 +ATOM 16375 H H . ARG A 1 26 ? -12.311 3.216 -2.145 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 11 +ATOM 16376 H HA . ARG A 1 26 ? -9.502 3.240 -1.991 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 11 +ATOM 16377 H HB2 . ARG A 1 26 ? -9.475 2.916 -4.439 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 11 +ATOM 16378 H HB3 . ARG A 1 26 ? -10.434 1.739 -3.562 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 11 +ATOM 16379 H HG2 . ARG A 1 26 ? -12.387 2.529 -4.338 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 11 +ATOM 16380 H HG3 . ARG A 1 26 ? -11.787 4.109 -4.807 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 11 +ATOM 16381 H HD2 . ARG A 1 26 ? -10.391 2.998 -6.501 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 11 +ATOM 16382 H HD3 . ARG A 1 26 ? -11.010 1.423 -6.011 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 11 +ATOM 16383 H HE . ARG A 1 26 ? -12.569 3.551 -7.319 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 11 +ATOM 16384 H HH11 . ARG A 1 26 ? -12.154 0.087 -6.523 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 11 +ATOM 16385 H HH12 . ARG A 1 26 ? -13.278 -0.442 -7.683 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 11 +ATOM 16386 H HH21 . ARG A 1 26 ? -14.089 2.747 -8.969 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 11 +ATOM 16387 H HH22 . ARG A 1 26 ? -14.380 1.087 -9.118 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 11 +ATOM 16388 N N . GLU A 1 27 ? -10.867 5.960 -3.087 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 11 +ATOM 16389 C CA . GLU A 1 27 ? -10.568 7.362 -3.340 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 11 +ATOM 16390 C C . GLU A 1 27 ? -9.762 7.965 -2.215 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 11 +ATOM 16391 O O . GLU A 1 27 ? -8.751 8.631 -2.462 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 11 +ATOM 16392 C CB . GLU A 1 27 ? -11.818 8.198 -3.591 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 11 +ATOM 16393 C CG . GLU A 1 27 ? -12.508 7.905 -4.904 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 11 +ATOM 16394 C CD . GLU A 1 27 ? -13.527 8.952 -5.260 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 11 +ATOM 16395 O OE1 . GLU A 1 27 ? -14.629 8.985 -4.656 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 11 +ATOM 16396 O OE2 . GLU A 1 27 ? -13.246 9.774 -6.160 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 11 +ATOM 16397 H H . GLU A 1 27 ? -11.808 5.673 -3.045 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 11 +ATOM 16398 H HA . GLU A 1 27 ? -9.952 7.387 -4.228 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 11 +ATOM 16399 H HB2 . GLU A 1 27 ? -12.519 7.954 -2.804 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 11 +ATOM 16400 H HB3 . GLU A 1 27 ? -11.568 9.248 -3.549 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 11 +ATOM 16401 H HG2 . GLU A 1 27 ? -11.766 7.867 -5.688 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 11 +ATOM 16402 H HG3 . GLU A 1 27 ? -13.003 6.948 -4.830 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 11 +ATOM 16403 N N . GLN A 1 28 ? -10.162 7.699 -0.983 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 11 +ATOM 16404 C CA . GLN A 1 28 ? -9.448 8.233 0.145 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 11 +ATOM 16405 C C . GLN A 1 28 ? -8.088 7.566 0.319 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 11 +ATOM 16406 O O . GLN A 1 28 ? -7.113 8.217 0.712 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 11 +ATOM 16407 C CB . GLN A 1 28 ? -10.282 8.239 1.426 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 11 +ATOM 16408 C CG . GLN A 1 28 ? -11.191 9.469 1.603 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 11 +ATOM 16409 C CD . GLN A 1 28 ? -12.181 9.701 0.475 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 11 +ATOM 16410 O OE1 . GLN A 1 28 ? -11.884 10.393 -0.507 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 11 +ATOM 16411 N NE2 . GLN A 1 28 ? -13.364 9.185 0.619 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 11 +ATOM 16412 H H . GLN A 1 28 ? -10.933 7.107 -0.814 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 11 +ATOM 16413 H HA . GLN A 1 28 ? -9.235 9.257 -0.129 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 11 +ATOM 16414 H HB2 . GLN A 1 28 ? -10.895 7.351 1.462 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 11 +ATOM 16415 H HB3 . GLN A 1 28 ? -9.586 8.225 2.248 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 11 +ATOM 16416 H HG2 . GLN A 1 28 ? -11.757 9.340 2.513 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 11 +ATOM 16417 H HG3 . GLN A 1 28 ? -10.564 10.343 1.701 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 11 +ATOM 16418 H HE21 . GLN A 1 28 ? -13.560 8.685 1.443 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 11 +ATOM 16419 H HE22 . GLN A 1 28 ? -14.012 9.296 -0.106 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 11 +ATOM 16420 N N . LEU A 1 29 ? -8.015 6.276 0.006 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 11 +ATOM 16421 C CA . LEU A 1 29 ? -6.740 5.559 0.025 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 11 +ATOM 16422 C C . LEU A 1 29 ? -5.783 6.150 -1.003 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 11 +ATOM 16423 O O . LEU A 1 29 ? -4.608 6.359 -0.711 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 11 +ATOM 16424 C CB . LEU A 1 29 ? -6.923 4.068 -0.244 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 11 +ATOM 16425 C CG . LEU A 1 29 ? -7.656 3.256 0.833 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 11 +ATOM 16426 C CD1 . LEU A 1 29 ? -7.786 1.820 0.399 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 11 +ATOM 16427 C CD2 . LEU A 1 29 ? -6.918 3.331 2.162 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 11 +ATOM 16428 H H . LEU A 1 29 ? -8.839 5.794 -0.225 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 11 +ATOM 16429 H HA . LEU A 1 29 ? -6.305 5.693 1.004 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 11 +ATOM 16430 H HB2 . LEU A 1 29 ? -7.467 3.984 -1.174 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 11 +ATOM 16431 H HB3 . LEU A 1 29 ? -5.943 3.637 -0.388 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 11 +ATOM 16432 H HG . LEU A 1 29 ? -8.657 3.636 0.972 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 11 +ATOM 16433 H HD11 . LEU A 1 29 ? -8.331 1.266 1.149 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 11 +ATOM 16434 H HD12 . LEU A 1 29 ? -6.802 1.391 0.284 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 11 +ATOM 16435 H HD13 . LEU A 1 29 ? -8.315 1.770 -0.541 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 11 +ATOM 16436 H HD21 . LEU A 1 29 ? -6.904 4.349 2.520 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 11 +ATOM 16437 H HD22 . LEU A 1 29 ? -5.902 2.991 2.026 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 11 +ATOM 16438 H HD23 . LEU A 1 29 ? -7.415 2.697 2.882 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 11 +ATOM 16439 N N . LYS A 1 30 ? -6.297 6.425 -2.205 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 11 +ATOM 16440 C CA . LYS A 1 30 ? -5.513 7.048 -3.268 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 11 +ATOM 16441 C C . LYS A 1 30 ? -4.923 8.379 -2.790 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 11 +ATOM 16442 O O . LYS A 1 30 ? -3.754 8.697 -3.069 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 11 +ATOM 16443 C CB . LYS A 1 30 ? -6.382 7.307 -4.495 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 11 +ATOM 16444 C CG . LYS A 1 30 ? -5.601 7.896 -5.659 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 11 +ATOM 16445 C CD . LYS A 1 30 ? -6.497 8.412 -6.775 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 11 +ATOM 16446 C CE . LYS A 1 30 ? -7.206 9.694 -6.365 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 11 +ATOM 16447 N NZ . LYS A 1 30 ? -8.026 10.251 -7.457 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 11 +ATOM 16448 H H . LYS A 1 30 ? -7.230 6.164 -2.398 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 11 +ATOM 16449 H HA . LYS A 1 30 ? -4.711 6.377 -3.540 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 11 +ATOM 16450 H HB2 . LYS A 1 30 ? -6.816 6.369 -4.806 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 11 +ATOM 16451 H HB3 . LYS A 1 30 ? -7.173 7.985 -4.214 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 11 +ATOM 16452 H HG2 . LYS A 1 30 ? -5.038 8.726 -5.259 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 11 +ATOM 16453 H HG3 . LYS A 1 30 ? -4.925 7.147 -6.046 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 11 +ATOM 16454 H HD2 . LYS A 1 30 ? -5.903 8.600 -7.658 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 11 +ATOM 16455 H HD3 . LYS A 1 30 ? -7.239 7.660 -6.993 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 11 +ATOM 16456 H HE2 . LYS A 1 30 ? -7.846 9.489 -5.520 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 11 +ATOM 16457 H HE3 . LYS A 1 30 ? -6.457 10.421 -6.079 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 11 +ATOM 16458 H HZ1 . LYS A 1 30 ? -8.510 11.116 -7.137 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 11 +ATOM 16459 H HZ2 . LYS A 1 30 ? -8.765 9.585 -7.761 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 11 +ATOM 16460 H HZ3 . LYS A 1 30 ? -7.430 10.504 -8.271 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 11 +ATOM 16461 N N . LYS A 1 31 ? -5.742 9.146 -2.087 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 11 +ATOM 16462 C CA . LYS A 1 31 ? -5.325 10.419 -1.507 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 11 +ATOM 16463 C C . LYS A 1 31 ? -4.183 10.213 -0.526 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 11 +ATOM 16464 O O . LYS A 1 31 ? -3.189 10.934 -0.567 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 11 +ATOM 16465 C CB . LYS A 1 31 ? -6.491 11.116 -0.821 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 11 +ATOM 16466 C CG . LYS A 1 31 ? -7.603 11.497 -1.761 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 11 +ATOM 16467 C CD . LYS A 1 31 ? -8.782 12.085 -1.020 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 11 +ATOM 16468 C CE . LYS A 1 31 ? -9.879 12.425 -1.992 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 11 +ATOM 16469 N NZ . LYS A 1 31 ? -11.090 12.927 -1.334 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 11 +ATOM 16470 H H . LYS A 1 31 ? -6.667 8.836 -1.974 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 11 +ATOM 16471 H HA . LYS A 1 31 ? -4.978 11.039 -2.321 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 11 +ATOM 16472 H HB2 . LYS A 1 31 ? -6.894 10.464 -0.060 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 11 +ATOM 16473 H HB3 . LYS A 1 31 ? -6.121 12.018 -0.357 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 11 +ATOM 16474 H HG2 . LYS A 1 31 ? -7.231 12.229 -2.462 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 11 +ATOM 16475 H HG3 . LYS A 1 31 ? -7.925 10.617 -2.298 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 11 +ATOM 16476 H HD2 . LYS A 1 31 ? -9.151 11.371 -0.298 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 11 +ATOM 16477 H HD3 . LYS A 1 31 ? -8.467 12.986 -0.515 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 11 +ATOM 16478 H HE2 . LYS A 1 31 ? -9.514 13.175 -2.677 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 11 +ATOM 16479 H HE3 . LYS A 1 31 ? -10.128 11.530 -2.543 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 11 +ATOM 16480 H HZ1 . LYS A 1 31 ? -11.774 13.212 -2.063 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 11 +ATOM 16481 H HZ2 . LYS A 1 31 ? -10.901 13.749 -0.726 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 11 +ATOM 16482 H HZ3 . LYS A 1 31 ? -11.531 12.165 -0.775 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 11 +ATOM 16483 N N . LYS A 1 32 ? -4.319 9.209 0.332 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 11 +ATOM 16484 C CA . LYS A 1 32 ? -3.264 8.857 1.274 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 11 +ATOM 16485 C C . LYS A 1 32 ? -1.988 8.480 0.571 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 11 +ATOM 16486 O O . LYS A 1 32 ? -0.906 8.847 1.004 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 11 +ATOM 16487 C CB . LYS A 1 32 ? -3.695 7.764 2.250 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 11 +ATOM 16488 C CG . LYS A 1 32 ? -4.127 8.302 3.604 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 11 +ATOM 16489 C CD . LYS A 1 32 ? -5.330 9.209 3.515 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 11 +ATOM 16490 C CE . LYS A 1 32 ? -5.565 9.913 4.836 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 11 +ATOM 16491 N NZ . LYS A 1 32 ? -4.458 10.851 5.164 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 11 +ATOM 16492 H H . LYS A 1 32 ? -5.158 8.699 0.334 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 11 +ATOM 16493 H HA . LYS A 1 32 ? -3.058 9.750 1.842 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 11 +ATOM 16494 H HB2 . LYS A 1 32 ? -4.522 7.219 1.820 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 11 +ATOM 16495 H HB3 . LYS A 1 32 ? -2.866 7.087 2.399 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 11 +ATOM 16496 H HG2 . LYS A 1 32 ? -4.387 7.474 4.248 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 11 +ATOM 16497 H HG3 . LYS A 1 32 ? -3.305 8.851 4.038 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 11 +ATOM 16498 H HD2 . LYS A 1 32 ? -5.154 9.942 2.743 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 11 +ATOM 16499 H HD3 . LYS A 1 32 ? -6.200 8.621 3.266 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 11 +ATOM 16500 H HE2 . LYS A 1 32 ? -6.502 10.446 4.813 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 11 +ATOM 16501 H HE3 . LYS A 1 32 ? -5.589 9.136 5.589 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 11 +ATOM 16502 H HZ1 . LYS A 1 32 ? -3.582 10.325 5.348 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 11 +ATOM 16503 H HZ2 . LYS A 1 32 ? -4.658 11.423 6.009 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 11 +ATOM 16504 H HZ3 . LYS A 1 32 ? -4.252 11.511 4.380 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 11 +ATOM 16505 N N . LEU A 1 33 ? -2.121 7.787 -0.524 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 11 +ATOM 16506 C CA . LEU A 1 33 ? -0.985 7.388 -1.312 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 11 +ATOM 16507 C C . LEU A 1 33 ? -0.286 8.592 -1.922 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 11 +ATOM 16508 O O . LEU A 1 33 ? 0.928 8.708 -1.848 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 11 +ATOM 16509 C CB . LEU A 1 33 ? -1.403 6.417 -2.404 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 11 +ATOM 16510 C CG . LEU A 1 33 ? -2.010 5.110 -1.933 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 11 +ATOM 16511 C CD1 . LEU A 1 33 ? -2.402 4.257 -3.119 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 11 +ATOM 16512 C CD2 . LEU A 1 33 ? -1.043 4.370 -1.025 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 11 +ATOM 16513 H H . LEU A 1 33 ? -3.027 7.514 -0.791 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 11 +ATOM 16514 H HA . LEU A 1 33 ? -0.290 6.886 -0.655 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 11 +ATOM 16515 H HB2 . LEU A 1 33 ? -2.133 6.916 -3.023 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 11 +ATOM 16516 H HB3 . LEU A 1 33 ? -0.537 6.192 -3.008 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 11 +ATOM 16517 H HG . LEU A 1 33 ? -2.908 5.324 -1.368 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 11 +ATOM 16518 H HD11 . LEU A 1 33 ? -3.111 4.795 -3.730 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 11 +ATOM 16519 H HD12 . LEU A 1 33 ? -2.852 3.338 -2.776 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 11 +ATOM 16520 H HD13 . LEU A 1 33 ? -1.524 4.033 -3.704 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 11 +ATOM 16521 H HD21 . LEU A 1 33 ? -1.474 3.425 -0.737 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 11 +ATOM 16522 H HD22 . LEU A 1 33 ? -0.871 4.963 -0.139 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 11 +ATOM 16523 H HD23 . LEU A 1 33 ? -0.109 4.203 -1.540 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 11 +ATOM 16524 N N . VAL A 1 34 ? -1.052 9.502 -2.501 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 11 +ATOM 16525 C CA . VAL A 1 34 ? -0.451 10.647 -3.156 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 11 +ATOM 16526 C C . VAL A 1 34 ? 0.194 11.612 -2.141 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 11 +ATOM 16527 O O . VAL A 1 34 ? 1.272 12.161 -2.400 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 11 +ATOM 16528 C CB . VAL A 1 34 ? -1.416 11.380 -4.146 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 11 +ATOM 16529 C CG1 . VAL A 1 34 ? -2.562 12.087 -3.442 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 11 +ATOM 16530 C CG2 . VAL A 1 34 ? -0.649 12.328 -5.044 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 11 +ATOM 16531 H H . VAL A 1 34 ? -2.029 9.403 -2.458 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 11 +ATOM 16532 H HA . VAL A 1 34 ? 0.370 10.231 -3.724 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 11 +ATOM 16533 H HB . VAL A 1 34 ? -1.863 10.625 -4.774 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 11 +ATOM 16534 H HG11 . VAL A 1 34 ? -2.166 12.855 -2.794 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 11 +ATOM 16535 H HG12 . VAL A 1 34 ? -3.096 11.364 -2.845 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 11 +ATOM 16536 H HG13 . VAL A 1 34 ? -3.227 12.526 -4.170 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 11 +ATOM 16537 H HG21 . VAL A 1 34 ? -0.140 13.056 -4.431 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 11 +ATOM 16538 H HG22 . VAL A 1 34 ? -1.340 12.834 -5.701 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 11 +ATOM 16539 H HG23 . VAL A 1 34 ? 0.072 11.778 -5.629 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 11 +ATOM 16540 N N . GLU A 1 35 ? -0.441 11.793 -0.977 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 11 +ATOM 16541 C CA . GLU A 1 35 ? 0.132 12.647 0.046 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 11 +ATOM 16542 C C . GLU A 1 35 ? 1.400 12.015 0.632 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 11 +ATOM 16543 O O . GLU A 1 35 ? 2.427 12.696 0.804 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 11 +ATOM 16544 C CB . GLU A 1 35 ? -0.870 12.997 1.171 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 11 +ATOM 16545 C CG . GLU A 1 35 ? -1.431 11.798 1.900 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 11 +ATOM 16546 C CD . GLU A 1 35 ? -2.175 12.139 3.158 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 11 +ATOM 16547 O OE1 . GLU A 1 35 ? -1.540 12.180 4.229 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 11 +ATOM 16548 O OE2 . GLU A 1 35 ? -3.409 12.345 3.116 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 11 +ATOM 16549 H H . GLU A 1 35 ? -1.308 11.354 -0.813 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 11 +ATOM 16550 H HA . GLU A 1 35 ? 0.425 13.556 -0.460 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 11 +ATOM 16551 H HB2 . GLU A 1 35 ? -0.376 13.626 1.897 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 11 +ATOM 16552 H HB3 . GLU A 1 35 ? -1.693 13.543 0.735 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 11 +ATOM 16553 H HG2 . GLU A 1 35 ? -2.113 11.308 1.223 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 11 +ATOM 16554 H HG3 . GLU A 1 35 ? -0.619 11.125 2.136 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 11 +ATOM 16555 N N . VAL A 1 36 ? 1.340 10.710 0.882 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 11 +ATOM 16556 C CA . VAL A 1 36 ? 2.424 9.975 1.499 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 11 +ATOM 16557 C C . VAL A 1 36 ? 3.680 9.992 0.627 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 11 +ATOM 16558 O O . VAL A 1 36 ? 4.769 9.966 1.135 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 11 +ATOM 16559 C CB . VAL A 1 36 ? 2.040 8.529 1.949 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 11 +ATOM 16560 C CG1 . VAL A 1 36 ? 2.119 7.500 0.828 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 11 +ATOM 16561 C CG2 . VAL A 1 36 ? 2.842 8.112 3.166 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 11 +ATOM 16562 H H . VAL A 1 36 ? 0.520 10.212 0.664 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 11 +ATOM 16563 H HA . VAL A 1 36 ? 2.676 10.551 2.379 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 11 +ATOM 16564 H HB . VAL A 1 36 ? 1.001 8.571 2.245 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 11 +ATOM 16565 H HG11 . VAL A 1 36 ? 3.134 7.441 0.465 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 11 +ATOM 16566 H HG12 . VAL A 1 36 ? 1.472 7.807 0.019 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 11 +ATOM 16567 H HG13 . VAL A 1 36 ? 1.807 6.534 1.196 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 11 +ATOM 16568 H HG21 . VAL A 1 36 ? 2.630 7.084 3.418 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 11 +ATOM 16569 H HG22 . VAL A 1 36 ? 2.572 8.745 3.999 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 11 +ATOM 16570 H HG23 . VAL A 1 36 ? 3.892 8.231 2.955 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 11 +ATOM 16571 N N . LEU A 1 37 ? 3.494 10.082 -0.696 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 11 +ATOM 16572 C CA . LEU A 1 37 ? 4.594 10.070 -1.682 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 11 +ATOM 16573 C C . LEU A 1 37 ? 5.683 11.106 -1.395 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 11 +ATOM 16574 O O . LEU A 1 37 ? 6.818 10.928 -1.845 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 11 +ATOM 16575 C CB . LEU A 1 37 ? 4.073 10.289 -3.115 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 11 +ATOM 16576 C CG . LEU A 1 37 ? 3.236 9.168 -3.729 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 11 +ATOM 16577 C CD1 . LEU A 1 37 ? 2.738 9.569 -5.109 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 11 +ATOM 16578 C CD2 . LEU A 1 37 ? 4.050 7.890 -3.816 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 11 +ATOM 16579 H H . LEU A 1 37 ? 2.572 10.128 -1.025 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 11 +ATOM 16580 H HA . LEU A 1 37 ? 5.049 9.092 -1.641 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 11 +ATOM 16581 H HB2 . LEU A 1 37 ? 3.476 11.189 -3.116 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 11 +ATOM 16582 H HB3 . LEU A 1 37 ? 4.928 10.455 -3.753 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 11 +ATOM 16583 H HG . LEU A 1 37 ? 2.376 8.981 -3.102 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 11 +ATOM 16584 H HD11 . LEU A 1 37 ? 2.127 8.776 -5.514 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 11 +ATOM 16585 H HD12 . LEU A 1 37 ? 3.584 9.733 -5.761 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 11 +ATOM 16586 H HD13 . LEU A 1 37 ? 2.156 10.475 -5.038 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 11 +ATOM 16587 H HD21 . LEU A 1 37 ? 4.966 8.081 -4.353 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 11 +ATOM 16588 H HD22 . LEU A 1 37 ? 3.485 7.147 -4.360 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 11 +ATOM 16589 H HD23 . LEU A 1 37 ? 4.274 7.521 -2.826 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 11 +ATOM 16590 N N . GLU A 1 38 ? 5.347 12.194 -0.685 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 11 +ATOM 16591 C CA . GLU A 1 38 ? 6.354 13.206 -0.353 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 11 +ATOM 16592 C C . GLU A 1 38 ? 7.421 12.622 0.608 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 11 +ATOM 16593 O O . GLU A 1 38 ? 8.585 13.013 0.576 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 11 +ATOM 16594 C CB . GLU A 1 38 ? 5.723 14.458 0.278 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 11 +ATOM 16595 C CG . GLU A 1 38 ? 5.110 14.233 1.653 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 11 +ATOM 16596 C CD . GLU A 1 38 ? 4.654 15.507 2.309 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 11 +ATOM 16597 O OE1 . GLU A 1 38 ? 5.495 16.300 2.737 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 11 +ATOM 16598 O OE2 . GLU A 1 38 ? 3.435 15.724 2.451 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 11 +ATOM 16599 H H . GLU A 1 38 ? 4.420 12.301 -0.375 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 11 +ATOM 16600 H HA . GLU A 1 38 ? 6.846 13.481 -1.275 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 11 +ATOM 16601 H HB2 . GLU A 1 38 ? 6.486 15.216 0.373 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 11 +ATOM 16602 H HB3 . GLU A 1 38 ? 4.950 14.826 -0.382 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 11 +ATOM 16603 H HG2 . GLU A 1 38 ? 4.259 13.576 1.550 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 11 +ATOM 16604 H HG3 . GLU A 1 38 ? 5.848 13.762 2.285 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 11 +ATOM 16605 N N . SER A 1 39 ? 7.007 11.677 1.429 1.00 0.00 ? ? ? ? ? ? 36 SER A N 11 +ATOM 16606 C CA . SER A 1 39 ? 7.858 11.040 2.396 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 11 +ATOM 16607 C C . SER A 1 39 ? 7.211 9.734 2.834 1.00 0.00 ? ? ? ? ? ? 36 SER A C 11 +ATOM 16608 O O . SER A 1 39 ? 6.608 9.667 3.869 1.00 0.00 ? ? ? ? ? ? 36 SER A O 11 +ATOM 16609 C CB . SER A 1 39 ? 8.115 11.981 3.599 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 11 +ATOM 16610 O OG . SER A 1 39 ? 8.913 11.357 4.596 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 11 +ATOM 16611 H H . SER A 1 39 ? 6.078 11.360 1.374 1.00 0.00 ? ? ? ? ? ? 36 SER A H 11 +ATOM 16612 H HA . SER A 1 39 ? 8.797 10.782 1.937 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 11 +ATOM 16613 H HB2 . SER A 1 39 ? 8.625 12.868 3.255 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 11 +ATOM 16614 H HB3 . SER A 1 39 ? 7.168 12.259 4.036 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 11 +ATOM 16615 H HG . SER A 1 39 ? 8.245 10.994 5.193 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 11 +ATOM 16616 N N . PRO A 1 40 ? 7.265 8.691 1.993 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 11 +ATOM 16617 C CA . PRO A 1 40 ? 6.606 7.430 2.287 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 11 +ATOM 16618 C C . PRO A 1 40 ? 7.410 6.490 3.184 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 11 +ATOM 16619 O O . PRO A 1 40 ? 6.877 5.502 3.677 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 11 +ATOM 16620 C CB . PRO A 1 40 ? 6.380 6.837 0.908 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 11 +ATOM 16621 C CG . PRO A 1 40 ? 7.523 7.339 0.100 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 11 +ATOM 16622 C CD . PRO A 1 40 ? 7.882 8.687 0.657 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 11 +ATOM 16623 H HA . PRO A 1 40 ? 5.651 7.595 2.759 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 11 +ATOM 16624 H HB2 . PRO A 1 40 ? 6.367 5.760 0.966 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 11 +ATOM 16625 H HB3 . PRO A 1 40 ? 5.440 7.192 0.510 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 11 +ATOM 16626 H HG2 . PRO A 1 40 ? 8.361 6.666 0.196 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 11 +ATOM 16627 H HG3 . PRO A 1 40 ? 7.234 7.428 -0.937 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 11 +ATOM 16628 H HD2 . PRO A 1 40 ? 8.954 8.808 0.724 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 11 +ATOM 16629 H HD3 . PRO A 1 40 ? 7.444 9.461 0.042 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 11 +ATOM 16630 N N . ARG A 1 41 ? 8.671 6.814 3.435 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 11 +ATOM 16631 C CA . ARG A 1 41 ? 9.524 5.980 4.293 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 11 +ATOM 16632 C C . ARG A 1 41 ? 9.260 6.238 5.791 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 11 +ATOM 16633 O O . ARG A 1 41 ? 10.161 6.205 6.610 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 11 +ATOM 16634 C CB . ARG A 1 41 ? 11.033 6.117 3.896 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 11 +ATOM 16635 C CG . ARG A 1 41 ? 11.609 7.546 3.755 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 11 +ATOM 16636 C CD . ARG A 1 41 ? 11.828 8.274 5.088 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 11 +ATOM 16637 N NE . ARG A 1 41 ? 12.821 7.608 5.967 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 11 +ATOM 16638 C CZ . ARG A 1 41 ? 12.813 7.680 7.319 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 11 +ATOM 16639 N NH1 . ARG A 1 41 ? 11.891 8.391 7.942 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 11 +ATOM 16640 N NH2 . ARG A 1 41 ? 13.730 7.053 8.030 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 11 +ATOM 16641 H H . ARG A 1 41 ? 9.021 7.637 3.037 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 11 +ATOM 16642 H HA . ARG A 1 41 ? 9.210 4.964 4.103 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 11 +ATOM 16643 H HB2 . ARG A 1 41 ? 11.621 5.609 4.645 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 11 +ATOM 16644 H HB3 . ARG A 1 41 ? 11.172 5.603 2.955 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 11 +ATOM 16645 H HG2 . ARG A 1 41 ? 12.550 7.489 3.231 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 11 +ATOM 16646 H HG3 . ARG A 1 41 ? 10.921 8.122 3.152 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 11 +ATOM 16647 H HD2 . ARG A 1 41 ? 12.165 9.281 4.887 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 11 +ATOM 16648 H HD3 . ARG A 1 41 ? 10.881 8.314 5.603 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 11 +ATOM 16649 H HE . ARG A 1 41 ? 13.520 7.090 5.508 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 11 +ATOM 16650 H HH11 . ARG A 1 41 ? 11.177 8.885 7.443 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 11 +ATOM 16651 H HH12 . ARG A 1 41 ? 11.875 8.500 8.942 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 11 +ATOM 16652 H HH21 . ARG A 1 41 ? 14.473 6.527 7.608 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 11 +ATOM 16653 H HH22 . ARG A 1 41 ? 13.683 7.047 9.038 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 11 +ATOM 16654 N N . ILE A 1 42 ? 7.998 6.338 6.141 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 11 +ATOM 16655 C CA . ILE A 1 42 ? 7.589 6.695 7.483 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 11 +ATOM 16656 C C . ILE A 1 42 ? 7.643 5.485 8.383 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 11 +ATOM 16657 O O . ILE A 1 42 ? 6.767 4.628 8.366 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 11 +ATOM 16658 C CB . ILE A 1 42 ? 6.168 7.311 7.492 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 11 +ATOM 16659 C CG1 . ILE A 1 42 ? 6.169 8.558 6.623 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 11 +ATOM 16660 C CG2 . ILE A 1 42 ? 5.727 7.651 8.918 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 11 +ATOM 16661 C CD1 . ILE A 1 42 ? 4.814 9.181 6.401 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 11 +ATOM 16662 H H . ILE A 1 42 ? 7.317 6.140 5.461 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 11 +ATOM 16663 H HA . ILE A 1 42 ? 8.288 7.430 7.848 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 11 +ATOM 16664 H HB . ILE A 1 42 ? 5.474 6.597 7.075 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 11 +ATOM 16665 H HG12 . ILE A 1 42 ? 6.791 9.306 7.090 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 11 +ATOM 16666 H HG13 . ILE A 1 42 ? 6.586 8.311 5.658 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 11 +ATOM 16667 H HG21 . ILE A 1 42 ? 6.419 8.366 9.337 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 11 +ATOM 16668 H HG22 . ILE A 1 42 ? 5.727 6.753 9.518 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 11 +ATOM 16669 H HG23 . ILE A 1 42 ? 4.734 8.074 8.900 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 11 +ATOM 16670 H HD11 . ILE A 1 42 ? 4.397 9.484 7.348 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 11 +ATOM 16671 H HD12 . ILE A 1 42 ? 4.168 8.465 5.914 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 11 +ATOM 16672 H HD13 . ILE A 1 42 ? 4.945 10.042 5.759 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 11 +ATOM 16673 N N . GLU A 1 43 ? 8.699 5.442 9.151 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 11 +ATOM 16674 C CA . GLU A 1 43 ? 9.024 4.348 10.042 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 11 +ATOM 16675 C C . GLU A 1 43 ? 7.960 4.089 11.107 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 11 +ATOM 16676 O O . GLU A 1 43 ? 7.809 2.965 11.569 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 11 +ATOM 16677 C CB . GLU A 1 43 ? 10.426 4.546 10.619 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 11 +ATOM 16678 C CG . GLU A 1 43 ? 10.681 5.926 11.200 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 11 +ATOM 16679 C CD . GLU A 1 43 ? 12.134 6.151 11.494 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 11 +ATOM 16680 O OE1 . GLU A 1 43 ? 12.898 6.455 10.551 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 11 +ATOM 16681 O OE2 . GLU A 1 43 ? 12.544 6.034 12.656 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 11 +ATOM 16682 H H . GLU A 1 43 ? 9.308 6.209 9.104 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 11 +ATOM 16683 H HA . GLU A 1 43 ? 9.051 3.467 9.419 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 11 +ATOM 16684 H HB2 . GLU A 1 43 ? 10.582 3.820 11.403 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 11 +ATOM 16685 H HB3 . GLU A 1 43 ? 11.145 4.370 9.834 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 11 +ATOM 16686 H HG2 . GLU A 1 43 ? 10.354 6.677 10.497 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 11 +ATOM 16687 H HG3 . GLU A 1 43 ? 10.121 6.027 12.118 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 11 +ATOM 16688 N N . ALA A 1 44 ? 7.183 5.109 11.447 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 11 +ATOM 16689 C CA . ALA A 1 44 ? 6.071 4.951 12.384 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 11 +ATOM 16690 C C . ALA A 1 44 ? 4.950 4.102 11.763 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 11 +ATOM 16691 O O . ALA A 1 44 ? 4.059 3.612 12.466 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 11 +ATOM 16692 C CB . ALA A 1 44 ? 5.528 6.308 12.807 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 11 +ATOM 16693 H H . ALA A 1 44 ? 7.381 6.001 11.088 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 11 +ATOM 16694 H HA . ALA A 1 44 ? 6.448 4.441 13.257 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 11 +ATOM 16695 H HB1 . ALA A 1 44 ? 4.734 6.171 13.525 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 11 +ATOM 16696 H HB2 . ALA A 1 44 ? 5.144 6.828 11.942 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 11 +ATOM 16697 H HB3 . ALA A 1 44 ? 6.320 6.890 13.255 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 11 +ATOM 16698 N N . ASN A 1 45 ? 5.008 3.931 10.451 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 11 +ATOM 16699 C CA . ASN A 1 45 ? 4.018 3.158 9.714 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 11 +ATOM 16700 C C . ASN A 1 45 ? 4.650 1.913 9.129 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 11 +ATOM 16701 O O . ASN A 1 45 ? 4.034 1.231 8.324 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 11 +ATOM 16702 C CB . ASN A 1 45 ? 3.411 3.978 8.547 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 11 +ATOM 16703 C CG . ASN A 1 45 ? 2.625 5.202 8.972 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 11 +ATOM 16704 O OD1 . ASN A 1 45 ? 2.051 5.250 10.058 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 11 +ATOM 16705 N ND2 . ASN A 1 45 ? 2.556 6.185 8.108 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 11 +ATOM 16706 H H . ASN A 1 45 ? 5.750 4.326 9.942 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 11 +ATOM 16707 H HA . ASN A 1 45 ? 3.223 2.867 10.384 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 11 +ATOM 16708 H HB2 . ASN A 1 45 ? 4.213 4.310 7.906 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 11 +ATOM 16709 H HB3 . ASN A 1 45 ? 2.758 3.331 7.977 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 11 +ATOM 16710 H HD21 . ASN A 1 45 ? 3.008 6.088 7.242 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 11 +ATOM 16711 H HD22 . ASN A 1 45 ? 2.039 6.983 8.348 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 11 +ATOM 16712 N N . LYS A 1 46 ? 5.863 1.604 9.541 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 11 +ATOM 16713 C CA . LYS A 1 46 ? 6.593 0.509 9.004 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 11 +ATOM 16714 C C . LYS A 1 46 ? 6.161 -0.823 9.621 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 11 +ATOM 16715 O O . LYS A 1 46 ? 5.807 -0.891 10.799 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 11 +ATOM 16716 C CB . LYS A 1 46 ? 8.076 0.765 9.236 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 11 +ATOM 16717 C CG . LYS A 1 46 ? 8.936 -0.381 8.877 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 11 +ATOM 16718 C CD . LYS A 1 46 ? 10.400 -0.107 9.126 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 11 +ATOM 16719 C CE . LYS A 1 46 ? 11.233 -1.347 8.850 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 11 +ATOM 16720 N NZ . LYS A 1 46 ? 10.865 -2.474 9.744 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 11 +ATOM 16721 H H . LYS A 1 46 ? 6.334 2.086 10.251 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 11 +ATOM 16722 H HA . LYS A 1 46 ? 6.426 0.481 7.937 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 11 +ATOM 16723 H HB2 . LYS A 1 46 ? 8.374 1.605 8.629 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 11 +ATOM 16724 H HB3 . LYS A 1 46 ? 8.230 1.001 10.278 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 11 +ATOM 16725 H HG2 . LYS A 1 46 ? 8.583 -1.171 9.520 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 11 +ATOM 16726 H HG3 . LYS A 1 46 ? 8.744 -0.614 7.842 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 11 +ATOM 16727 H HD2 . LYS A 1 46 ? 10.726 0.690 8.474 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 11 +ATOM 16728 H HD3 . LYS A 1 46 ? 10.536 0.188 10.155 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 11 +ATOM 16729 H HE2 . LYS A 1 46 ? 11.064 -1.649 7.827 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 11 +ATOM 16730 H HE3 . LYS A 1 46 ? 12.277 -1.111 8.987 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 11 +ATOM 16731 H HZ1 . LYS A 1 46 ? 9.880 -2.783 9.598 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 11 +ATOM 16732 H HZ2 . LYS A 1 46 ? 10.953 -2.211 10.746 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 11 +ATOM 16733 H HZ3 . LYS A 1 46 ? 11.480 -3.293 9.570 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 11 +ATOM 16734 N N . LEU A 1 47 ? 6.174 -1.854 8.809 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 11 +ATOM 16735 C CA . LEU A 1 47 ? 5.882 -3.199 9.248 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 11 +ATOM 16736 C C . LEU A 1 47 ? 7.152 -3.851 9.761 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 11 +ATOM 16737 O O . LEU A 1 47 ? 8.262 -3.528 9.299 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 11 +ATOM 16738 C CB . LEU A 1 47 ? 5.313 -4.050 8.107 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 11 +ATOM 16739 C CG . LEU A 1 47 ? 3.943 -3.667 7.556 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 11 +ATOM 16740 C CD1 . LEU A 1 47 ? 3.556 -4.602 6.435 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 11 +ATOM 16741 C CD2 . LEU A 1 47 ? 2.901 -3.738 8.638 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 11 +ATOM 16742 H H . LEU A 1 47 ? 6.409 -1.693 7.867 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 11 +ATOM 16743 H HA . LEU A 1 47 ? 5.159 -3.142 10.046 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 11 +ATOM 16744 H HB2 . LEU A 1 47 ? 6.014 -3.992 7.289 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 11 +ATOM 16745 H HB3 . LEU A 1 47 ? 5.269 -5.075 8.444 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 11 +ATOM 16746 H HG . LEU A 1 47 ? 3.973 -2.657 7.174 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 11 +ATOM 16747 H HD11 . LEU A 1 47 ? 2.589 -4.317 6.047 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 11 +ATOM 16748 H HD12 . LEU A 1 47 ? 3.503 -5.612 6.814 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 11 +ATOM 16749 H HD13 . LEU A 1 47 ? 4.290 -4.552 5.645 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 11 +ATOM 16750 H HD21 . LEU A 1 47 ? 3.154 -3.040 9.422 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 11 +ATOM 16751 H HD22 . LEU A 1 47 ? 2.876 -4.743 9.032 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 11 +ATOM 16752 H HD23 . LEU A 1 47 ? 1.943 -3.482 8.213 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 11 +ATOM 16753 N N . ARG A 1 48 ? 7.001 -4.753 10.686 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 11 +ATOM 16754 C CA . ARG A 1 48 ? 8.106 -5.446 11.264 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 11 +ATOM 16755 C C . ARG A 1 48 ? 8.329 -6.779 10.551 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 11 +ATOM 16756 O O . ARG A 1 48 ? 7.388 -7.544 10.344 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 11 +ATOM 16757 C CB . ARG A 1 48 ? 7.850 -5.641 12.758 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 11 +ATOM 16758 C CG . ARG A 1 48 ? 6.641 -6.503 13.101 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 11 +ATOM 16759 C CD . ARG A 1 48 ? 6.315 -6.428 14.575 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 11 +ATOM 16760 N NE . ARG A 1 48 ? 5.890 -5.075 14.964 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 11 +ATOM 16761 C CZ . ARG A 1 48 ? 5.687 -4.659 16.213 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 11 +ATOM 16762 N NH1 . ARG A 1 48 ? 5.895 -5.481 17.238 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 11 +ATOM 16763 N NH2 . ARG A 1 48 ? 5.277 -3.414 16.435 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 11 +ATOM 16764 H H . ARG A 1 48 ? 6.104 -4.973 11.016 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 11 +ATOM 16765 H HA . ARG A 1 48 ? 8.984 -4.831 11.140 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 11 +ATOM 16766 H HB2 . ARG A 1 48 ? 8.719 -6.111 13.184 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 11 +ATOM 16767 H HB3 . ARG A 1 48 ? 7.714 -4.670 13.213 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 11 +ATOM 16768 H HG2 . ARG A 1 48 ? 5.790 -6.164 12.532 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 11 +ATOM 16769 H HG3 . ARG A 1 48 ? 6.862 -7.525 12.836 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 11 +ATOM 16770 H HD2 . ARG A 1 48 ? 5.523 -7.128 14.795 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 11 +ATOM 16771 H HD3 . ARG A 1 48 ? 7.195 -6.692 15.143 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 11 +ATOM 16772 H HE . ARG A 1 48 ? 5.735 -4.447 14.221 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 11 +ATOM 16773 H HH11 . ARG A 1 48 ? 6.204 -6.429 17.112 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 11 +ATOM 16774 H HH12 . ARG A 1 48 ? 5.754 -5.181 18.183 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 11 +ATOM 16775 H HH21 . ARG A 1 48 ? 5.114 -2.781 15.669 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 11 +ATOM 16776 H HH22 . ARG A 1 48 ? 5.107 -3.063 17.361 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 11 +ATOM 16777 N N . GLY A 1 49 ? 9.547 -7.013 10.113 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 11 +ATOM 16778 C CA . GLY A 1 49 ? 9.886 -8.273 9.456 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 11 +ATOM 16779 C C . GLY A 1 49 ? 9.426 -8.313 8.017 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 11 +ATOM 16780 O O . GLY A 1 49 ? 9.414 -9.368 7.376 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 11 +ATOM 16781 H H . GLY A 1 49 ? 10.236 -6.321 10.224 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 11 +ATOM 16782 H HA2 . GLY A 1 49 ? 10.959 -8.399 9.481 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 11 +ATOM 16783 H HA3 . GLY A 1 49 ? 9.422 -9.085 9.996 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 11 +ATOM 16784 N N . MET A 1 50 ? 9.048 -7.171 7.515 1.00 0.00 ? ? ? ? ? ? 47 MET A N 11 +ATOM 16785 C CA . MET A 1 50 ? 8.576 -7.038 6.164 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 11 +ATOM 16786 C C . MET A 1 50 ? 9.461 -6.044 5.463 1.00 0.00 ? ? ? ? ? ? 47 MET A C 11 +ATOM 16787 O O . MET A 1 50 ? 9.559 -4.888 5.905 1.00 0.00 ? ? ? ? ? ? 47 MET A O 11 +ATOM 16788 C CB . MET A 1 50 ? 7.131 -6.561 6.145 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 11 +ATOM 16789 C CG . MET A 1 50 ? 6.150 -7.517 6.821 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 11 +ATOM 16790 S SD . MET A 1 50 ? 5.965 -9.094 5.952 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 11 +ATOM 16791 C CE . MET A 1 50 ? 5.107 -8.557 4.469 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 11 +ATOM 16792 H H . MET A 1 50 ? 9.121 -6.375 8.083 1.00 0.00 ? ? ? ? ? ? 47 MET A H 11 +ATOM 16793 H HA . MET A 1 50 ? 8.649 -8.006 5.689 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 11 +ATOM 16794 H HB2 . MET A 1 50 ? 7.107 -5.605 6.644 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 11 +ATOM 16795 H HB3 . MET A 1 50 ? 6.829 -6.421 5.118 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 11 +ATOM 16796 H HG2 . MET A 1 50 ? 6.499 -7.717 7.823 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 11 +ATOM 16797 H HG3 . MET A 1 50 ? 5.187 -7.032 6.862 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 11 +ATOM 16798 H HE1 . MET A 1 50 ? 4.907 -9.414 3.842 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 11 +ATOM 16799 H HE2 . MET A 1 50 ? 5.717 -7.850 3.928 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 11 +ATOM 16800 H HE3 . MET A 1 50 ? 4.171 -8.093 4.745 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 11 +ATOM 16801 N N . PRO A 1 51 ? 10.129 -6.466 4.385 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 11 +ATOM 16802 C CA . PRO A 1 51 ? 11.106 -5.638 3.671 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 11 +ATOM 16803 C C . PRO A 1 51 ? 10.512 -4.345 3.096 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 11 +ATOM 16804 O O . PRO A 1 51 ? 9.775 -4.371 2.092 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 11 +ATOM 16805 C CB . PRO A 1 51 ? 11.623 -6.553 2.549 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 11 +ATOM 16806 C CG . PRO A 1 51 ? 10.582 -7.610 2.401 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 11 +ATOM 16807 C CD . PRO A 1 51 ? 9.977 -7.792 3.760 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 11 +ATOM 16808 H HA . PRO A 1 51 ? 11.924 -5.377 4.324 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 11 +ATOM 16809 H HB2 . PRO A 1 51 ? 11.735 -5.978 1.642 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 11 +ATOM 16810 H HB3 . PRO A 1 51 ? 12.575 -6.976 2.832 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 11 +ATOM 16811 H HG2 . PRO A 1 51 ? 9.829 -7.288 1.698 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 11 +ATOM 16812 H HG3 . PRO A 1 51 ? 11.036 -8.533 2.066 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 11 +ATOM 16813 H HD2 . PRO A 1 51 ? 8.932 -8.054 3.674 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 11 +ATOM 16814 H HD3 . PRO A 1 51 ? 10.515 -8.543 4.320 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 11 +ATOM 16815 N N . ASP A 1 52 ? 10.754 -3.243 3.818 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 11 +ATOM 16816 C CA . ASP A 1 52 ? 10.381 -1.877 3.402 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 11 +ATOM 16817 C C . ASP A 1 52 ? 8.889 -1.725 3.254 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 11 +ATOM 16818 O O . ASP A 1 52 ? 8.424 -0.904 2.471 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 11 +ATOM 16819 C CB . ASP A 1 52 ? 11.079 -1.462 2.081 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 11 +ATOM 16820 C CG . ASP A 1 52 ? 12.563 -1.231 2.220 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 11 +ATOM 16821 O OD1 . ASP A 1 52 ? 13.339 -2.212 2.192 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 11 +ATOM 16822 O OD2 . ASP A 1 52 ? 12.997 -0.059 2.362 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 11 +ATOM 16823 H H . ASP A 1 52 ? 11.179 -3.371 4.694 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 11 +ATOM 16824 H HA . ASP A 1 52 ? 10.709 -1.206 4.181 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 11 +ATOM 16825 H HB2 . ASP A 1 52 ? 10.934 -2.244 1.349 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 11 +ATOM 16826 H HB3 . ASP A 1 52 ? 10.621 -0.556 1.713 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 11 +ATOM 16827 N N . CYS A 1 53 ? 8.128 -2.451 4.041 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 11 +ATOM 16828 C CA . CYS A 1 53 ? 6.708 -2.379 3.916 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 11 +ATOM 16829 C C . CYS A 1 53 ? 6.143 -1.468 4.992 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 11 +ATOM 16830 O O . CYS A 1 53 ? 6.624 -1.456 6.134 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 11 +ATOM 16831 C CB . CYS A 1 53 ? 6.111 -3.773 4.002 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 11 +ATOM 16832 S SG . CYS A 1 53 ? 6.812 -4.948 2.812 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 11 +ATOM 16833 H H . CYS A 1 53 ? 8.517 -3.028 4.733 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 11 +ATOM 16834 H HA . CYS A 1 53 ? 6.476 -1.958 2.951 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 11 +ATOM 16835 H HB2 . CYS A 1 53 ? 6.286 -4.167 4.992 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 11 +ATOM 16836 H HB3 . CYS A 1 53 ? 5.048 -3.713 3.819 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 11 +ATOM 16837 H HG . CYS A 1 53 ? 8.035 -4.521 2.511 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 11 +ATOM 16838 N N . TYR A 1 54 ? 5.149 -0.710 4.619 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 11 +ATOM 16839 C CA . TYR A 1 54 ? 4.515 0.265 5.462 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 11 +ATOM 16840 C C . TYR A 1 54 ? 3.014 0.133 5.258 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 11 +ATOM 16841 O O . TYR A 1 54 ? 2.580 -0.378 4.210 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 11 +ATOM 16842 C CB . TYR A 1 54 ? 4.970 1.694 5.064 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 11 +ATOM 16843 C CG . TYR A 1 54 ? 6.480 1.936 5.111 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 11 +ATOM 16844 C CD1 . TYR A 1 54 ? 7.300 1.565 4.056 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 11 +ATOM 16845 C CD2 . TYR A 1 54 ? 7.074 2.531 6.202 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 11 +ATOM 16846 C CE1 . TYR A 1 54 ? 8.666 1.777 4.096 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 11 +ATOM 16847 C CE2 . TYR A 1 54 ? 8.440 2.748 6.248 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 11 +ATOM 16848 C CZ . TYR A 1 54 ? 9.228 2.367 5.192 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 11 +ATOM 16849 O OH . TYR A 1 54 ? 10.594 2.586 5.236 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 11 +ATOM 16850 H H . TYR A 1 54 ? 4.797 -0.796 3.703 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 11 +ATOM 16851 H HA . TYR A 1 54 ? 4.773 0.072 6.493 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 11 +ATOM 16852 H HB2 . TYR A 1 54 ? 4.643 1.890 4.055 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 11 +ATOM 16853 H HB3 . TYR A 1 54 ? 4.495 2.405 5.725 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 11 +ATOM 16854 H HD1 . TYR A 1 54 ? 6.856 1.094 3.192 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 11 +ATOM 16855 H HD2 . TYR A 1 54 ? 6.455 2.832 7.036 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 11 +ATOM 16856 H HE1 . TYR A 1 54 ? 9.285 1.478 3.262 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 11 +ATOM 16857 H HE2 . TYR A 1 54 ? 8.884 3.215 7.115 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 11 +ATOM 16858 H HH . TYR A 1 54 ? 10.913 2.728 4.334 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 11 +ATOM 16859 N N . LYS A 1 55 ? 2.226 0.559 6.223 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 11 +ATOM 16860 C CA . LYS A 1 55 ? 0.785 0.440 6.106 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 11 +ATOM 16861 C C . LYS A 1 55 ? 0.059 1.724 6.494 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 11 +ATOM 16862 O O . LYS A 1 55 ? 0.443 2.426 7.449 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 11 +ATOM 16863 C CB . LYS A 1 55 ? 0.215 -0.782 6.908 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 11 +ATOM 16864 C CG . LYS A 1 55 ? 0.198 -0.696 8.464 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 11 +ATOM 16865 C CD . LYS A 1 55 ? 1.584 -0.531 9.073 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 11 +ATOM 16866 C CE . LYS A 1 55 ? 1.592 -0.732 10.590 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 11 +ATOM 16867 N NZ . LYS A 1 55 ? 0.703 0.203 11.315 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 11 +ATOM 16868 H H . LYS A 1 55 ? 2.622 0.970 7.022 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 11 +ATOM 16869 H HA . LYS A 1 55 ? 0.584 0.267 5.058 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 11 +ATOM 16870 H HB2 . LYS A 1 55 ? -0.805 -0.944 6.592 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 11 +ATOM 16871 H HB3 . LYS A 1 55 ? 0.790 -1.651 6.629 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 11 +ATOM 16872 H HG2 . LYS A 1 55 ? -0.403 0.152 8.758 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 11 +ATOM 16873 H HG3 . LYS A 1 55 ? -0.255 -1.597 8.854 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 11 +ATOM 16874 H HD2 . LYS A 1 55 ? 2.250 -1.249 8.622 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 11 +ATOM 16875 H HD3 . LYS A 1 55 ? 1.941 0.464 8.850 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 11 +ATOM 16876 H HE2 . LYS A 1 55 ? 1.278 -1.741 10.808 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 11 +ATOM 16877 H HE3 . LYS A 1 55 ? 2.605 -0.598 10.942 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 11 +ATOM 16878 H HZ1 . LYS A 1 55 ? 0.933 1.189 11.091 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 11 +ATOM 16879 H HZ2 . LYS A 1 55 ? 0.853 0.088 12.340 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 11 +ATOM 16880 H HZ3 . LYS A 1 55 ? -0.305 0.035 11.133 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 11 +ATOM 16881 N N . ILE A 1 56 ? -0.970 2.032 5.746 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 11 +ATOM 16882 C CA . ILE A 1 56 ? -1.836 3.150 6.036 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 11 +ATOM 16883 C C . ILE A 1 56 ? -3.213 2.596 6.331 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 11 +ATOM 16884 O O . ILE A 1 56 ? -3.629 1.602 5.716 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 11 +ATOM 16885 C CB . ILE A 1 56 ? -1.921 4.187 4.859 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 11 +ATOM 16886 C CG1 . ILE A 1 56 ? -0.528 4.744 4.527 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 11 +ATOM 16887 C CG2 . ILE A 1 56 ? -2.882 5.340 5.207 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 11 +ATOM 16888 C CD1 . ILE A 1 56 ? -0.521 5.766 3.401 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 11 +ATOM 16889 H H . ILE A 1 56 ? -1.171 1.471 4.962 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 11 +ATOM 16890 H HA . ILE A 1 56 ? -1.459 3.634 6.923 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 11 +ATOM 16891 H HB . ILE A 1 56 ? -2.311 3.677 3.992 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 11 +ATOM 16892 H HG12 . ILE A 1 56 ? -0.121 5.222 5.407 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 11 +ATOM 16893 H HG13 . ILE A 1 56 ? 0.119 3.927 4.240 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 11 +ATOM 16894 H HG21 . ILE A 1 56 ? -2.924 6.041 4.386 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 11 +ATOM 16895 H HG22 . ILE A 1 56 ? -2.538 5.859 6.090 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 11 +ATOM 16896 H HG23 . ILE A 1 56 ? -3.873 4.956 5.393 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 11 +ATOM 16897 H HD11 . ILE A 1 56 ? -0.938 5.324 2.508 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 11 +ATOM 16898 H HD12 . ILE A 1 56 ? 0.495 6.078 3.207 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 11 +ATOM 16899 H HD13 . ILE A 1 56 ? -1.112 6.623 3.688 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 11 +ATOM 16900 N N . LYS A 1 57 ? -3.889 3.175 7.290 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 11 +ATOM 16901 C CA . LYS A 1 57 ? -5.186 2.762 7.629 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 11 +ATOM 16902 C C . LYS A 1 57 ? -6.117 3.882 7.271 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 11 +ATOM 16903 O O . LYS A 1 57 ? -5.772 5.055 7.417 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 11 +ATOM 16904 C CB . LYS A 1 57 ? -5.340 2.503 9.125 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 11 +ATOM 16905 C CG . LYS A 1 57 ? -4.246 1.674 9.827 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 11 +ATOM 16906 C CD . LYS A 1 57 ? -2.982 2.489 10.120 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 11 +ATOM 16907 C CE . LYS A 1 57 ? -3.274 3.656 11.068 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 11 +ATOM 16908 N NZ . LYS A 1 57 ? -2.077 4.469 11.347 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 11 +ATOM 16909 H H . LYS A 1 57 ? -3.546 3.936 7.794 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 11 +ATOM 16910 H HA . LYS A 1 57 ? -5.438 1.866 7.081 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 11 +ATOM 16911 H HB2 . LYS A 1 57 ? -5.485 3.451 9.616 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 11 +ATOM 16912 H HB3 . LYS A 1 57 ? -6.268 1.972 9.204 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 11 +ATOM 16913 H HG2 . LYS A 1 57 ? -4.635 1.306 10.764 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 11 +ATOM 16914 H HG3 . LYS A 1 57 ? -3.988 0.838 9.195 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 11 +ATOM 16915 H HD2 . LYS A 1 57 ? -2.240 1.842 10.563 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 11 +ATOM 16916 H HD3 . LYS A 1 57 ? -2.614 2.880 9.184 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 11 +ATOM 16917 H HE2 . LYS A 1 57 ? -4.017 4.303 10.624 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 11 +ATOM 16918 H HE3 . LYS A 1 57 ? -3.656 3.261 11.997 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 11 +ATOM 16919 H HZ1 . LYS A 1 57 ? -2.311 5.263 11.975 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 11 +ATOM 16920 H HZ2 . LYS A 1 57 ? -1.690 4.883 10.475 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 11 +ATOM 16921 H HZ3 . LYS A 1 57 ? -1.331 3.903 11.797 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 11 +ATOM 16922 N N . LEU A 1 58 ? -7.267 3.541 6.829 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 11 +ATOM 16923 C CA . LEU A 1 58 ? -8.251 4.516 6.474 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 11 +ATOM 16924 C C . LEU A 1 58 ? -9.198 4.637 7.647 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 11 +ATOM 16925 O O . LEU A 1 58 ? -9.855 3.657 8.012 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 11 +ATOM 16926 C CB . LEU A 1 58 ? -9.009 4.069 5.216 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 11 +ATOM 16927 C CG . LEU A 1 58 ? -9.820 5.143 4.488 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 11 +ATOM 16928 C CD1 . LEU A 1 58 ? -8.912 6.229 3.987 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 11 +ATOM 16929 C CD2 . LEU A 1 58 ? -10.581 4.529 3.334 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 11 +ATOM 16930 H H . LEU A 1 58 ? -7.444 2.578 6.755 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 11 +ATOM 16931 H HA . LEU A 1 58 ? -7.757 5.458 6.297 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 11 +ATOM 16932 H HB2 . LEU A 1 58 ? -8.287 3.670 4.521 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 11 +ATOM 16933 H HB3 . LEU A 1 58 ? -9.684 3.273 5.497 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 11 +ATOM 16934 H HG . LEU A 1 58 ? -10.534 5.637 5.127 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 11 +ATOM 16935 H HD11 . LEU A 1 58 ? -8.299 6.612 4.791 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 11 +ATOM 16936 H HD12 . LEU A 1 58 ? -9.546 7.027 3.640 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 11 +ATOM 16937 H HD13 . LEU A 1 58 ? -8.295 5.861 3.182 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 11 +ATOM 16938 H HD21 . LEU A 1 58 ? -9.888 4.062 2.652 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 11 +ATOM 16939 H HD22 . LEU A 1 58 ? -11.128 5.303 2.815 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 11 +ATOM 16940 H HD23 . LEU A 1 58 ? -11.268 3.789 3.714 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 11 +ATOM 16941 N N . ARG A 1 59 ? -9.277 5.808 8.233 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 11 +ATOM 16942 C CA . ARG A 1 59 ? -10.095 6.022 9.427 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 11 +ATOM 16943 C C . ARG A 1 59 ? -11.562 5.967 9.075 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 11 +ATOM 16944 O O . ARG A 1 59 ? -12.388 5.467 9.848 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 11 +ATOM 16945 C CB . ARG A 1 59 ? -9.780 7.377 10.072 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 11 +ATOM 16946 C CG . ARG A 1 59 ? -8.332 7.570 10.486 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 11 +ATOM 16947 C CD . ARG A 1 59 ? -7.860 6.515 11.486 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 11 +ATOM 16948 N NE . ARG A 1 59 ? -8.659 6.484 12.735 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 11 +ATOM 16949 C CZ . ARG A 1 59 ? -8.147 6.655 13.965 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 11 +ATOM 16950 N NH1 . ARG A 1 59 ? -6.931 7.172 14.119 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 11 +ATOM 16951 N NH2 . ARG A 1 59 ? -8.871 6.375 15.043 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 11 +ATOM 16952 H H . ARG A 1 59 ? -8.797 6.570 7.837 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 11 +ATOM 16953 H HA . ARG A 1 59 ? -9.880 5.239 10.137 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 11 +ATOM 16954 H HB2 . ARG A 1 59 ? -10.032 8.159 9.373 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 11 +ATOM 16955 H HB3 . ARG A 1 59 ? -10.399 7.490 10.950 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 11 +ATOM 16956 H HG2 . ARG A 1 59 ? -7.714 7.505 9.603 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 11 +ATOM 16957 H HG3 . ARG A 1 59 ? -8.221 8.550 10.927 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 11 +ATOM 16958 H HD2 . ARG A 1 59 ? -7.918 5.547 11.013 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 11 +ATOM 16959 H HD3 . ARG A 1 59 ? -6.829 6.713 11.734 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 11 +ATOM 16960 H HE . ARG A 1 59 ? -9.604 6.229 12.618 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 11 +ATOM 16961 H HH11 . ARG A 1 59 ? -6.364 7.454 13.340 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 11 +ATOM 16962 H HH12 . ARG A 1 59 ? -6.539 7.303 15.034 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 11 +ATOM 16963 H HH21 . ARG A 1 59 ? -9.815 6.036 15.000 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 11 +ATOM 16964 H HH22 . ARG A 1 59 ? -8.469 6.477 15.957 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 11 +ATOM 16965 N N . SER A 1 60 ? -11.858 6.446 7.894 1.00 0.00 ? ? ? ? ? ? 57 SER A N 11 +ATOM 16966 C CA . SER A 1 60 ? -13.198 6.540 7.380 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 11 +ATOM 16967 C C . SER A 1 60 ? -13.869 5.167 7.246 1.00 0.00 ? ? ? ? ? ? 57 SER A C 11 +ATOM 16968 O O . SER A 1 60 ? -15.040 5.007 7.602 1.00 0.00 ? ? ? ? ? ? 57 SER A O 11 +ATOM 16969 C CB . SER A 1 60 ? -13.143 7.235 6.024 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 11 +ATOM 16970 O OG . SER A 1 60 ? -12.358 8.421 6.114 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 11 +ATOM 16971 H H . SER A 1 60 ? -11.132 6.796 7.336 1.00 0.00 ? ? ? ? ? ? 57 SER A H 11 +ATOM 16972 H HA . SER A 1 60 ? -13.780 7.159 8.045 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 11 +ATOM 16973 H HB2 . SER A 1 60 ? -12.694 6.572 5.299 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 11 +ATOM 16974 H HB3 . SER A 1 60 ? -14.141 7.501 5.710 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 11 +ATOM 16975 H HG . SER A 1 60 ? -12.966 9.162 6.001 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 11 +ATOM 16976 N N . SER A 1 61 ? -13.121 4.166 6.814 1.00 0.00 ? ? ? ? ? ? 58 SER A N 11 +ATOM 16977 C CA . SER A 1 61 ? -13.740 2.888 6.521 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 11 +ATOM 16978 C C . SER A 1 61 ? -13.111 1.693 7.273 1.00 0.00 ? ? ? ? ? ? 58 SER A C 11 +ATOM 16979 O O . SER A 1 61 ? -13.680 0.603 7.278 1.00 0.00 ? ? ? ? ? ? 58 SER A O 11 +ATOM 16980 C CB . SER A 1 61 ? -13.702 2.669 5.018 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 11 +ATOM 16981 O OG . SER A 1 61 ? -14.212 3.808 4.339 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 11 +ATOM 16982 H H . SER A 1 61 ? -12.163 4.307 6.680 1.00 0.00 ? ? ? ? ? ? 58 SER A H 11 +ATOM 16983 H HA . SER A 1 61 ? -14.777 2.964 6.809 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 11 +ATOM 16984 H HB2 . SER A 1 61 ? -12.682 2.504 4.707 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 11 +ATOM 16985 H HB3 . SER A 1 61 ? -14.305 1.810 4.760 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 11 +ATOM 16986 H HG . SER A 1 61 ? -15.164 3.850 4.478 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 11 +ATOM 16987 N N . GLY A 1 62 ? -11.954 1.882 7.890 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 11 +ATOM 16988 C CA . GLY A 1 62 ? -11.327 0.787 8.628 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 11 +ATOM 16989 C C . GLY A 1 62 ? -10.506 -0.126 7.729 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 11 +ATOM 16990 O O . GLY A 1 62 ? -10.226 -1.272 8.068 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 11 +ATOM 16991 H H . GLY A 1 62 ? -11.501 2.751 7.885 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 11 +ATOM 16992 H HA2 . GLY A 1 62 ? -10.683 1.202 9.390 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 11 +ATOM 16993 H HA3 . GLY A 1 62 ? -12.099 0.204 9.107 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 11 +ATOM 16994 N N . TYR A 1 63 ? -10.110 0.377 6.592 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 11 +ATOM 16995 C CA . TYR A 1 63 ? -9.332 -0.408 5.658 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 11 +ATOM 16996 C C . TYR A 1 63 ? -7.851 -0.185 5.867 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 11 +ATOM 16997 O O . TYR A 1 63 ? -7.445 0.829 6.434 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 11 +ATOM 16998 C CB . TYR A 1 63 ? -9.741 -0.121 4.203 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 11 +ATOM 16999 C CG . TYR A 1 63 ? -11.062 -0.759 3.784 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 11 +ATOM 17000 C CD1 . TYR A 1 63 ? -12.264 -0.389 4.369 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 11 +ATOM 17001 C CD2 . TYR A 1 63 ? -11.096 -1.727 2.790 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 11 +ATOM 17002 C CE1 . TYR A 1 63 ? -13.458 -0.964 3.985 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 11 +ATOM 17003 C CE2 . TYR A 1 63 ? -12.287 -2.307 2.398 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 11 +ATOM 17004 C CZ . TYR A 1 63 ? -13.465 -1.921 3.000 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 11 +ATOM 17005 O OH . TYR A 1 63 ? -14.652 -2.508 2.622 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 11 +ATOM 17006 H H . TYR A 1 63 ? -10.316 1.310 6.381 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 11 +ATOM 17007 H HA . TYR A 1 63 ? -9.543 -1.445 5.875 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 11 +ATOM 17008 H HB2 . TYR A 1 63 ? -9.835 0.947 4.069 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 11 +ATOM 17009 H HB3 . TYR A 1 63 ? -8.967 -0.491 3.546 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 11 +ATOM 17010 H HD1 . TYR A 1 63 ? -12.259 0.363 5.145 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 11 +ATOM 17011 H HD2 . TYR A 1 63 ? -10.173 -2.030 2.317 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 11 +ATOM 17012 H HE1 . TYR A 1 63 ? -14.381 -0.659 4.456 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 11 +ATOM 17013 H HE2 . TYR A 1 63 ? -12.292 -3.060 1.623 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 11 +ATOM 17014 H HH . TYR A 1 63 ? -15.330 -1.842 2.454 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 11 +ATOM 17015 N N . ARG A 1 64 ? -7.068 -1.144 5.446 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 11 +ATOM 17016 C CA . ARG A 1 64 ? -5.628 -1.102 5.541 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 11 +ATOM 17017 C C . ARG A 1 64 ? -5.039 -1.240 4.154 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 11 +ATOM 17018 O O . ARG A 1 64 ? -5.576 -1.970 3.311 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 11 +ATOM 17019 C CB . ARG A 1 64 ? -5.055 -2.246 6.408 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 11 +ATOM 17020 C CG . ARG A 1 64 ? -5.179 -2.126 7.931 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 11 +ATOM 17021 C CD . ARG A 1 64 ? -6.601 -2.223 8.461 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 11 +ATOM 17022 N NE . ARG A 1 64 ? -6.582 -2.370 9.926 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 11 +ATOM 17023 C CZ . ARG A 1 64 ? -7.643 -2.332 10.750 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 11 +ATOM 17024 N NH1 . ARG A 1 64 ? -8.862 -2.070 10.293 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 11 +ATOM 17025 N NH2 . ARG A 1 64 ? -7.465 -2.539 12.049 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 11 +ATOM 17026 H H . ARG A 1 64 ? -7.463 -1.921 4.993 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 11 +ATOM 17027 H HA . ARG A 1 64 ? -5.334 -0.154 5.965 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 11 +ATOM 17028 H HB2 . ARG A 1 64 ? -5.558 -3.159 6.124 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 11 +ATOM 17029 H HB3 . ARG A 1 64 ? -4.008 -2.355 6.163 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 11 +ATOM 17030 H HG2 . ARG A 1 64 ? -4.602 -2.919 8.384 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 11 +ATOM 17031 H HG3 . ARG A 1 64 ? -4.755 -1.178 8.229 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 11 +ATOM 17032 H HD2 . ARG A 1 64 ? -7.138 -1.323 8.197 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 11 +ATOM 17033 H HD3 . ARG A 1 64 ? -7.088 -3.083 8.027 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 11 +ATOM 17034 H HE . ARG A 1 64 ? -5.684 -2.538 10.291 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 11 +ATOM 17035 H HH11 . ARG A 1 64 ? -9.079 -1.892 9.327 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 11 +ATOM 17036 H HH12 . ARG A 1 64 ? -9.656 -2.031 10.907 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 11 +ATOM 17037 H HH21 . ARG A 1 64 ? -6.565 -2.726 12.449 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 11 +ATOM 17038 H HH22 . ARG A 1 64 ? -8.239 -2.513 12.686 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 11 +ATOM 17039 N N . LEU A 1 65 ? -3.974 -0.555 3.915 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 11 +ATOM 17040 C CA . LEU A 1 65 ? -3.275 -0.654 2.672 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 11 +ATOM 17041 C C . LEU A 1 65 ? -1.799 -0.848 2.990 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 11 +ATOM 17042 O O . LEU A 1 65 ? -1.227 -0.087 3.774 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 11 +ATOM 17043 C CB . LEU A 1 65 ? -3.553 0.608 1.818 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 11 +ATOM 17044 C CG . LEU A 1 65 ? -3.054 0.614 0.357 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 11 +ATOM 17045 C CD1 . LEU A 1 65 ? -3.742 1.710 -0.420 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 11 +ATOM 17046 C CD2 . LEU A 1 65 ? -1.561 0.835 0.286 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 11 +ATOM 17047 H H . LEU A 1 65 ? -3.631 0.069 4.595 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 11 +ATOM 17048 H HA . LEU A 1 65 ? -3.639 -1.531 2.156 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 11 +ATOM 17049 H HB2 . LEU A 1 65 ? -4.622 0.762 1.797 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 11 +ATOM 17050 H HB3 . LEU A 1 65 ? -3.106 1.448 2.327 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 11 +ATOM 17051 H HG . LEU A 1 65 ? -3.286 -0.333 -0.110 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 11 +ATOM 17052 H HD11 . LEU A 1 65 ? -4.808 1.539 -0.413 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 11 +ATOM 17053 H HD12 . LEU A 1 65 ? -3.382 1.692 -1.438 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 11 +ATOM 17054 H HD13 . LEU A 1 65 ? -3.526 2.666 0.033 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 11 +ATOM 17055 H HD21 . LEU A 1 65 ? -1.246 0.894 -0.745 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 11 +ATOM 17056 H HD22 . LEU A 1 65 ? -1.055 0.012 0.769 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 11 +ATOM 17057 H HD23 . LEU A 1 65 ? -1.326 1.755 0.798 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 11 +ATOM 17058 N N . VAL A 1 66 ? -1.205 -1.873 2.411 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 11 +ATOM 17059 C CA . VAL A 1 66 ? 0.181 -2.219 2.663 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 11 +ATOM 17060 C C . VAL A 1 66 ? 1.001 -2.052 1.388 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 11 +ATOM 17061 O O . VAL A 1 66 ? 0.671 -2.627 0.331 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 11 +ATOM 17062 C CB . VAL A 1 66 ? 0.316 -3.685 3.178 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 11 +ATOM 17063 C CG1 . VAL A 1 66 ? 1.774 -4.053 3.415 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 11 +ATOM 17064 C CG2 . VAL A 1 66 ? -0.490 -3.887 4.455 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 11 +ATOM 17065 H H . VAL A 1 66 ? -1.696 -2.416 1.753 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 11 +ATOM 17066 H HA . VAL A 1 66 ? 0.565 -1.549 3.420 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 11 +ATOM 17067 H HB . VAL A 1 66 ? -0.078 -4.345 2.419 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 11 +ATOM 17068 H HG11 . VAL A 1 66 ? 1.837 -5.068 3.777 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 11 +ATOM 17069 H HG12 . VAL A 1 66 ? 2.194 -3.385 4.152 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 11 +ATOM 17070 H HG13 . VAL A 1 66 ? 2.323 -3.963 2.489 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 11 +ATOM 17071 H HG21 . VAL A 1 66 ? -1.531 -3.677 4.258 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 11 +ATOM 17072 H HG22 . VAL A 1 66 ? -0.126 -3.213 5.216 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 11 +ATOM 17073 H HG23 . VAL A 1 66 ? -0.386 -4.906 4.796 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 11 +ATOM 17074 N N . TYR A 1 67 ? 2.049 -1.289 1.478 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 11 +ATOM 17075 C CA . TYR A 1 67 ? 2.909 -1.030 0.352 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 11 +ATOM 17076 C C . TYR A 1 67 ? 4.354 -1.103 0.772 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 11 +ATOM 17077 O O . TYR A 1 67 ? 4.657 -1.000 1.947 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 11 +ATOM 17078 C CB . TYR A 1 67 ? 2.595 0.347 -0.287 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 11 +ATOM 17079 C CG . TYR A 1 67 ? 2.674 1.553 0.647 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 11 +ATOM 17080 C CD1 . TYR A 1 67 ? 3.875 1.972 1.210 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 11 +ATOM 17081 C CD2 . TYR A 1 67 ? 1.546 2.280 0.933 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 11 +ATOM 17082 C CE1 . TYR A 1 67 ? 3.930 3.067 2.032 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 11 +ATOM 17083 C CE2 . TYR A 1 67 ? 1.591 3.376 1.752 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 11 +ATOM 17084 C CZ . TYR A 1 67 ? 2.789 3.766 2.303 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 11 +ATOM 17085 O OH . TYR A 1 67 ? 2.845 4.857 3.130 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 11 +ATOM 17086 H H . TYR A 1 67 ? 2.281 -0.887 2.349 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 11 +ATOM 17087 H HA . TYR A 1 67 ? 2.722 -1.799 -0.381 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 11 +ATOM 17088 H HB2 . TYR A 1 67 ? 3.269 0.530 -1.109 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 11 +ATOM 17089 H HB3 . TYR A 1 67 ? 1.589 0.307 -0.676 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 11 +ATOM 17090 H HD1 . TYR A 1 67 ? 4.774 1.413 0.997 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 11 +ATOM 17091 H HD2 . TYR A 1 67 ? 0.608 1.972 0.498 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 11 +ATOM 17092 H HE1 . TYR A 1 67 ? 4.872 3.377 2.458 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 11 +ATOM 17093 H HE2 . TYR A 1 67 ? 0.680 3.920 1.949 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 11 +ATOM 17094 H HH . TYR A 1 67 ? 3.618 5.381 2.907 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 11 +ATOM 17095 N N . GLN A 1 68 ? 5.226 -1.313 -0.162 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 11 +ATOM 17096 C CA . GLN A 1 68 ? 6.629 -1.269 0.113 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 11 +ATOM 17097 C C . GLN A 1 68 ? 7.233 -0.067 -0.568 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 11 +ATOM 17098 O O . GLN A 1 68 ? 6.931 0.218 -1.731 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 11 +ATOM 17099 C CB . GLN A 1 68 ? 7.356 -2.564 -0.282 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 11 +ATOM 17100 C CG . GLN A 1 68 ? 7.216 -2.972 -1.743 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 11 +ATOM 17101 C CD . GLN A 1 68 ? 8.022 -4.213 -2.090 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 11 +ATOM 17102 O OE1 . GLN A 1 68 ? 8.475 -4.375 -3.227 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 11 +ATOM 17103 N NE2 . GLN A 1 68 ? 8.222 -5.088 -1.130 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 11 +ATOM 17104 H H . GLN A 1 68 ? 4.922 -1.484 -1.082 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 11 +ATOM 17105 H HA . GLN A 1 68 ? 6.735 -1.113 1.175 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 11 +ATOM 17106 H HB2 . GLN A 1 68 ? 8.410 -2.439 -0.074 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 11 +ATOM 17107 H HB3 . GLN A 1 68 ? 6.981 -3.365 0.336 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 11 +ATOM 17108 H HG2 . GLN A 1 68 ? 6.176 -3.164 -1.956 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 11 +ATOM 17109 H HG3 . GLN A 1 68 ? 7.564 -2.154 -2.357 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 11 +ATOM 17110 H HE21 . GLN A 1 68 ? 7.844 -4.907 -0.243 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 11 +ATOM 17111 H HE22 . GLN A 1 68 ? 8.765 -5.885 -1.321 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 11 +ATOM 17112 N N . VAL A 1 69 ? 8.035 0.655 0.146 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 11 +ATOM 17113 C CA . VAL A 1 69 ? 8.666 1.814 -0.413 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 11 +ATOM 17114 C C . VAL A 1 69 ? 10.045 1.438 -0.841 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 11 +ATOM 17115 O O . VAL A 1 69 ? 10.910 1.168 -0.011 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 11 +ATOM 17116 C CB . VAL A 1 69 ? 8.742 2.979 0.603 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 11 +ATOM 17117 C CG1 . VAL A 1 69 ? 9.455 4.189 0.009 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 11 +ATOM 17118 C CG2 . VAL A 1 69 ? 7.358 3.365 1.061 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 11 +ATOM 17119 H H . VAL A 1 69 ? 8.240 0.370 1.064 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 11 +ATOM 17120 H HA . VAL A 1 69 ? 8.098 2.133 -1.275 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 11 +ATOM 17121 H HB . VAL A 1 69 ? 9.303 2.646 1.463 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 11 +ATOM 17122 H HG11 . VAL A 1 69 ? 10.452 3.904 -0.293 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 11 +ATOM 17123 H HG12 . VAL A 1 69 ? 9.518 4.969 0.753 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 11 +ATOM 17124 H HG13 . VAL A 1 69 ? 8.907 4.548 -0.850 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 11 +ATOM 17125 H HG21 . VAL A 1 69 ? 7.430 4.155 1.792 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 11 +ATOM 17126 H HG22 . VAL A 1 69 ? 6.876 2.506 1.502 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 11 +ATOM 17127 H HG23 . VAL A 1 69 ? 6.776 3.706 0.219 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 11 +ATOM 17128 N N . ILE A 1 70 ? 10.255 1.415 -2.113 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 11 +ATOM 17129 C CA . ILE A 1 70 ? 11.523 1.080 -2.634 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 11 +ATOM 17130 C C . ILE A 1 70 ? 12.218 2.366 -2.986 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 11 +ATOM 17131 O O . ILE A 1 70 ? 11.987 2.925 -4.057 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 11 +ATOM 17132 C CB . ILE A 1 70 ? 11.405 0.206 -3.900 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 11 +ATOM 17133 C CG1 . ILE A 1 70 ? 10.420 -0.945 -3.662 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 11 +ATOM 17134 C CG2 . ILE A 1 70 ? 12.777 -0.347 -4.266 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 11 +ATOM 17135 C CD1 . ILE A 1 70 ? 10.152 -1.783 -4.886 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 11 +ATOM 17136 H H . ILE A 1 70 ? 9.536 1.648 -2.743 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 11 +ATOM 17137 H HA . ILE A 1 70 ? 12.085 0.548 -1.882 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 11 +ATOM 17138 H HB . ILE A 1 70 ? 11.048 0.818 -4.715 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 11 +ATOM 17139 H HG12 . ILE A 1 70 ? 10.810 -1.596 -2.893 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 11 +ATOM 17140 H HG13 . ILE A 1 70 ? 9.481 -0.534 -3.324 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 11 +ATOM 17141 H HG21 . ILE A 1 70 ? 12.700 -0.945 -5.162 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 11 +ATOM 17142 H HG22 . ILE A 1 70 ? 13.141 -0.966 -3.461 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 11 +ATOM 17143 H HG23 . ILE A 1 70 ? 13.465 0.469 -4.433 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 11 +ATOM 17144 H HD11 . ILE A 1 70 ? 9.746 -1.160 -5.669 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 11 +ATOM 17145 H HD12 . ILE A 1 70 ? 9.437 -2.554 -4.634 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 11 +ATOM 17146 H HD13 . ILE A 1 70 ? 11.071 -2.237 -5.225 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 11 +ATOM 17147 N N . ASP A 1 71 ? 13.034 2.851 -2.088 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 11 +ATOM 17148 C CA . ASP A 1 71 ? 13.742 4.115 -2.290 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 11 +ATOM 17149 C C . ASP A 1 71 ? 14.814 3.953 -3.355 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 11 +ATOM 17150 O O . ASP A 1 71 ? 15.163 4.897 -4.046 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 11 +ATOM 17151 C CB . ASP A 1 71 ? 14.325 4.630 -0.970 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 11 +ATOM 17152 C CG . ASP A 1 71 ? 15.066 5.946 -1.111 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 11 +ATOM 17153 O OD1 . ASP A 1 71 ? 14.420 7.001 -1.219 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 11 +ATOM 17154 O OD2 . ASP A 1 71 ? 16.317 5.948 -1.063 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 11 +ATOM 17155 H H . ASP A 1 71 ? 13.168 2.355 -1.248 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 11 +ATOM 17156 H HA . ASP A 1 71 ? 13.020 4.827 -2.662 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 11 +ATOM 17157 H HB2 . ASP A 1 71 ? 13.516 4.777 -0.268 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 11 +ATOM 17158 H HB3 . ASP A 1 71 ? 15.004 3.890 -0.574 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 11 +ATOM 17159 N N . GLU A 1 72 ? 15.273 2.717 -3.517 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 11 +ATOM 17160 C CA . GLU A 1 72 ? 16.251 2.354 -4.546 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 11 +ATOM 17161 C C . GLU A 1 72 ? 15.690 2.625 -5.942 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 11 +ATOM 17162 O O . GLU A 1 72 ? 16.412 3.011 -6.854 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 11 +ATOM 17163 C CB . GLU A 1 72 ? 16.584 0.868 -4.461 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 11 +ATOM 17164 C CG . GLU A 1 72 ? 17.186 0.408 -3.154 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 11 +ATOM 17165 C CD . GLU A 1 72 ? 17.468 -1.069 -3.181 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 11 +ATOM 17166 O OE1 . GLU A 1 72 ? 18.527 -1.472 -3.669 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 11 +ATOM 17167 O OE2 . GLU A 1 72 ? 16.610 -1.864 -2.730 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 11 +ATOM 17168 H H . GLU A 1 72 ? 14.961 2.029 -2.893 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 11 +ATOM 17169 H HA . GLU A 1 72 ? 17.155 2.926 -4.393 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 11 +ATOM 17170 H HB2 . GLU A 1 72 ? 15.675 0.307 -4.614 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 11 +ATOM 17171 H HB3 . GLU A 1 72 ? 17.273 0.624 -5.255 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 11 +ATOM 17172 H HG2 . GLU A 1 72 ? 18.112 0.937 -2.988 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 11 +ATOM 17173 H HG3 . GLU A 1 72 ? 16.494 0.617 -2.351 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 11 +ATOM 17174 N N . LYS A 1 73 ? 14.397 2.392 -6.097 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 11 +ATOM 17175 C CA . LYS A 1 73 ? 13.731 2.556 -7.384 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 11 +ATOM 17176 C C . LYS A 1 73 ? 12.836 3.795 -7.379 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 11 +ATOM 17177 O O . LYS A 1 73 ? 12.194 4.125 -8.392 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 11 +ATOM 17178 C CB . LYS A 1 73 ? 12.905 1.311 -7.700 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 11 +ATOM 17179 C CG . LYS A 1 73 ? 13.714 0.029 -7.773 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 11 +ATOM 17180 C CD . LYS A 1 73 ? 12.819 -1.171 -8.021 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 11 +ATOM 17181 C CE . LYS A 1 73 ? 13.617 -2.460 -8.032 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 11 +ATOM 17182 N NZ . LYS A 1 73 ? 12.749 -3.640 -8.166 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 11 +ATOM 17183 H H . LYS A 1 73 ? 13.879 2.107 -5.318 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 11 +ATOM 17184 H HA . LYS A 1 73 ? 14.491 2.672 -8.142 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 11 +ATOM 17185 H HB2 . LYS A 1 73 ? 12.183 1.184 -6.909 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 11 +ATOM 17186 H HB3 . LYS A 1 73 ? 12.393 1.447 -8.641 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 11 +ATOM 17187 H HG2 . LYS A 1 73 ? 14.436 0.107 -8.569 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 11 +ATOM 17188 H HG3 . LYS A 1 73 ? 14.233 -0.109 -6.835 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 11 +ATOM 17189 H HD2 . LYS A 1 73 ? 12.070 -1.227 -7.244 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 11 +ATOM 17190 H HD3 . LYS A 1 73 ? 12.332 -1.052 -8.978 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 11 +ATOM 17191 H HE2 . LYS A 1 73 ? 14.304 -2.436 -8.865 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 11 +ATOM 17192 H HE3 . LYS A 1 73 ? 14.177 -2.536 -7.112 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 11 +ATOM 17193 H HZ1 . LYS A 1 73 ? 13.327 -4.504 -8.189 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 11 +ATOM 17194 H HZ2 . LYS A 1 73 ? 12.205 -3.596 -9.050 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 11 +ATOM 17195 H HZ3 . LYS A 1 73 ? 12.073 -3.719 -7.381 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 11 +ATOM 17196 N N . VAL A 1 74 ? 12.798 4.457 -6.220 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 11 +ATOM 17197 C CA . VAL A 1 74 ? 12.004 5.674 -5.960 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 11 +ATOM 17198 C C . VAL A 1 74 ? 10.488 5.398 -6.210 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 11 +ATOM 17199 O O . VAL A 1 74 ? 9.701 6.278 -6.562 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 11 +ATOM 17200 C CB . VAL A 1 74 ? 12.525 6.892 -6.809 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 11 +ATOM 17201 C CG1 . VAL A 1 74 ? 11.915 8.202 -6.331 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 11 +ATOM 17202 C CG2 . VAL A 1 74 ? 14.051 6.984 -6.761 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 11 +ATOM 17203 H H . VAL A 1 74 ? 13.348 4.120 -5.483 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 11 +ATOM 17204 H HA . VAL A 1 74 ? 12.119 5.897 -4.908 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 11 +ATOM 17205 H HB . VAL A 1 74 ? 12.225 6.734 -7.835 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 11 +ATOM 17206 H HG11 . VAL A 1 74 ? 12.165 8.361 -5.292 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 11 +ATOM 17207 H HG12 . VAL A 1 74 ? 10.843 8.155 -6.445 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 11 +ATOM 17208 H HG13 . VAL A 1 74 ? 12.303 9.017 -6.923 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 11 +ATOM 17209 H HG21 . VAL A 1 74 ? 14.477 6.071 -7.152 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 11 +ATOM 17210 H HG22 . VAL A 1 74 ? 14.373 7.120 -5.739 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 11 +ATOM 17211 H HG23 . VAL A 1 74 ? 14.385 7.819 -7.359 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 11 +ATOM 17212 N N . VAL A 1 75 ? 10.070 4.186 -5.944 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 11 +ATOM 17213 C CA . VAL A 1 75 ? 8.700 3.813 -6.193 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 11 +ATOM 17214 C C . VAL A 1 75 ? 8.084 3.150 -4.967 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 11 +ATOM 17215 O O . VAL A 1 75 ? 8.746 2.396 -4.245 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 11 +ATOM 17216 C CB . VAL A 1 75 ? 8.554 2.894 -7.463 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 11 +ATOM 17217 C CG1 . VAL A 1 75 ? 9.289 1.580 -7.296 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 11 +ATOM 17218 C CG2 . VAL A 1 75 ? 7.091 2.645 -7.830 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 11 +ATOM 17219 H H . VAL A 1 75 ? 10.683 3.538 -5.534 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 11 +ATOM 17220 H HA . VAL A 1 75 ? 8.161 4.731 -6.377 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 11 +ATOM 17221 H HB . VAL A 1 75 ? 9.023 3.414 -8.286 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 11 +ATOM 17222 H HG11 . VAL A 1 75 ? 10.334 1.793 -7.136 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 11 +ATOM 17223 H HG12 . VAL A 1 75 ? 9.165 0.987 -8.190 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 11 +ATOM 17224 H HG13 . VAL A 1 75 ? 8.890 1.047 -6.445 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 11 +ATOM 17225 H HG21 . VAL A 1 75 ? 6.595 2.156 -7.004 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 11 +ATOM 17226 H HG22 . VAL A 1 75 ? 7.041 2.014 -8.705 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 11 +ATOM 17227 H HG23 . VAL A 1 75 ? 6.601 3.585 -8.036 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 11 +ATOM 17228 N N . VAL A 1 76 ? 6.866 3.496 -4.711 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 11 +ATOM 17229 C CA . VAL A 1 76 ? 6.087 2.913 -3.681 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 11 +ATOM 17230 C C . VAL A 1 76 ? 5.199 1.873 -4.343 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 11 +ATOM 17231 O O . VAL A 1 76 ? 4.343 2.199 -5.175 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 11 +ATOM 17232 C CB . VAL A 1 76 ? 5.227 3.985 -2.978 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 11 +ATOM 17233 C CG1 . VAL A 1 76 ? 4.374 3.378 -1.892 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 11 +ATOM 17234 C CG2 . VAL A 1 76 ? 6.110 5.076 -2.406 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 11 +ATOM 17235 H H . VAL A 1 76 ? 6.433 4.189 -5.258 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 11 +ATOM 17236 H HA . VAL A 1 76 ? 6.743 2.438 -2.967 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 11 +ATOM 17237 H HB . VAL A 1 76 ? 4.583 4.433 -3.719 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 11 +ATOM 17238 H HG11 . VAL A 1 76 ? 5.008 2.907 -1.154 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 11 +ATOM 17239 H HG12 . VAL A 1 76 ? 3.711 2.642 -2.321 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 11 +ATOM 17240 H HG13 . VAL A 1 76 ? 3.790 4.152 -1.417 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 11 +ATOM 17241 H HG21 . VAL A 1 76 ? 6.807 4.641 -1.707 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 11 +ATOM 17242 H HG22 . VAL A 1 76 ? 5.497 5.804 -1.895 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 11 +ATOM 17243 H HG23 . VAL A 1 76 ? 6.654 5.556 -3.207 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 11 +ATOM 17244 N N . PHE A 1 77 ? 5.420 0.654 -4.002 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 11 +ATOM 17245 C CA . PHE A 1 77 ? 4.752 -0.449 -4.616 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 11 +ATOM 17246 C C . PHE A 1 77 ? 3.712 -1.013 -3.662 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 11 +ATOM 17247 O O . PHE A 1 77 ? 4.058 -1.581 -2.630 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 11 +ATOM 17248 C CB . PHE A 1 77 ? 5.814 -1.507 -4.967 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 11 +ATOM 17249 C CG . PHE A 1 77 ? 5.317 -2.723 -5.685 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 11 +ATOM 17250 C CD1 . PHE A 1 77 ? 5.132 -2.700 -7.051 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 11 +ATOM 17251 C CD2 . PHE A 1 77 ? 5.063 -3.900 -4.996 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 11 +ATOM 17252 C CE1 . PHE A 1 77 ? 4.703 -3.821 -7.720 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 11 +ATOM 17253 C CE2 . PHE A 1 77 ? 4.629 -5.024 -5.661 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 11 +ATOM 17254 C CZ . PHE A 1 77 ? 4.449 -4.985 -7.026 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 11 +ATOM 17255 H H . PHE A 1 77 ? 6.062 0.472 -3.278 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 11 +ATOM 17256 H HA . PHE A 1 77 ? 4.280 -0.116 -5.527 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 11 +ATOM 17257 H HB2 . PHE A 1 77 ? 6.564 -1.050 -5.596 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 11 +ATOM 17258 H HB3 . PHE A 1 77 ? 6.289 -1.830 -4.052 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 11 +ATOM 17259 H HD1 . PHE A 1 77 ? 5.328 -1.789 -7.597 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 11 +ATOM 17260 H HD2 . PHE A 1 77 ? 5.206 -3.929 -3.927 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 11 +ATOM 17261 H HE1 . PHE A 1 77 ? 4.563 -3.787 -8.789 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 11 +ATOM 17262 H HE2 . PHE A 1 77 ? 4.431 -5.934 -5.114 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 11 +ATOM 17263 H HZ . PHE A 1 77 ? 4.110 -5.864 -7.554 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 11 +ATOM 17264 N N . VAL A 1 78 ? 2.452 -0.823 -3.988 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 11 +ATOM 17265 C CA . VAL A 1 78 ? 1.366 -1.343 -3.183 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 11 +ATOM 17266 C C . VAL A 1 78 ? 1.293 -2.833 -3.380 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 11 +ATOM 17267 O O . VAL A 1 78 ? 1.147 -3.320 -4.512 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 11 +ATOM 17268 C CB . VAL A 1 78 ? -0.000 -0.682 -3.527 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 11 +ATOM 17269 C CG1 . VAL A 1 78 ? -1.133 -1.268 -2.672 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 11 +ATOM 17270 C CG2 . VAL A 1 78 ? 0.077 0.825 -3.333 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 11 +ATOM 17271 H H . VAL A 1 78 ? 2.248 -0.330 -4.814 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 11 +ATOM 17272 H HA . VAL A 1 78 ? 1.608 -1.149 -2.150 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 11 +ATOM 17273 H HB . VAL A 1 78 ? -0.222 -0.881 -4.564 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 11 +ATOM 17274 H HG11 . VAL A 1 78 ? -0.919 -1.108 -1.626 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 11 +ATOM 17275 H HG12 . VAL A 1 78 ? -1.215 -2.329 -2.857 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 11 +ATOM 17276 H HG13 . VAL A 1 78 ? -2.069 -0.785 -2.920 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 11 +ATOM 17277 H HG21 . VAL A 1 78 ? -0.878 1.267 -3.574 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 11 +ATOM 17278 H HG22 . VAL A 1 78 ? 0.837 1.235 -3.981 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 11 +ATOM 17279 H HG23 . VAL A 1 78 ? 0.324 1.048 -2.305 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 11 +ATOM 17280 N N . ILE A 1 79 ? 1.413 -3.544 -2.296 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 11 +ATOM 17281 C CA . ILE A 1 79 ? 1.466 -4.973 -2.335 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 11 +ATOM 17282 C C . ILE A 1 79 ? 0.075 -5.545 -2.107 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 11 +ATOM 17283 O O . ILE A 1 79 ? -0.351 -6.493 -2.773 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 11 +ATOM 17284 C CB . ILE A 1 79 ? 2.397 -5.509 -1.215 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 11 +ATOM 17285 C CG1 . ILE A 1 79 ? 3.774 -4.843 -1.273 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 11 +ATOM 17286 C CG2 . ILE A 1 79 ? 2.553 -7.008 -1.344 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 11 +ATOM 17287 C CD1 . ILE A 1 79 ? 4.702 -5.276 -0.156 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 11 +ATOM 17288 H H . ILE A 1 79 ? 1.452 -3.089 -1.426 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 11 +ATOM 17289 H HA . ILE A 1 79 ? 1.857 -5.293 -3.289 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 11 +ATOM 17290 H HB . ILE A 1 79 ? 1.939 -5.289 -0.262 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 11 +ATOM 17291 H HG12 . ILE A 1 79 ? 4.247 -5.090 -2.212 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 11 +ATOM 17292 H HG13 . ILE A 1 79 ? 3.653 -3.772 -1.211 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 11 +ATOM 17293 H HG21 . ILE A 1 79 ? 1.578 -7.471 -1.318 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 11 +ATOM 17294 H HG22 . ILE A 1 79 ? 3.154 -7.380 -0.527 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 11 +ATOM 17295 H HG23 . ILE A 1 79 ? 3.036 -7.233 -2.284 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 11 +ATOM 17296 H HD11 . ILE A 1 79 ? 5.657 -4.789 -0.275 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 11 +ATOM 17297 H HD12 . ILE A 1 79 ? 4.834 -6.347 -0.196 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 11 +ATOM 17298 H HD13 . ILE A 1 79 ? 4.272 -5.001 0.796 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 11 +ATOM 17299 N N . SER A 1 80 ? -0.638 -4.971 -1.168 1.00 0.00 ? ? ? ? ? ? 77 SER A N 11 +ATOM 17300 C CA . SER A 1 80 ? -1.936 -5.470 -0.800 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 11 +ATOM 17301 C C . SER A 1 80 ? -2.784 -4.350 -0.245 1.00 0.00 ? ? ? ? ? ? 77 SER A C 11 +ATOM 17302 O O . SER A 1 80 ? -2.259 -3.369 0.293 1.00 0.00 ? ? ? ? ? ? 77 SER A O 11 +ATOM 17303 C CB . SER A 1 80 ? -1.780 -6.577 0.245 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 11 +ATOM 17304 O OG . SER A 1 80 ? -0.946 -7.604 -0.249 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 11 +ATOM 17305 H H . SER A 1 80 ? -0.306 -4.176 -0.693 1.00 0.00 ? ? ? ? ? ? 77 SER A H 11 +ATOM 17306 H HA . SER A 1 80 ? -2.409 -5.886 -1.677 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 11 +ATOM 17307 H HB2 . SER A 1 80 ? -1.334 -6.168 1.139 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 11 +ATOM 17308 H HB3 . SER A 1 80 ? -2.748 -6.994 0.479 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 11 +ATOM 17309 H HG . SER A 1 80 ? -0.751 -7.406 -1.176 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 11 +ATOM 17310 N N . VAL A 1 81 ? -4.068 -4.487 -0.375 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 11 +ATOM 17311 C CA . VAL A 1 81 ? -4.995 -3.513 0.110 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 11 +ATOM 17312 C C . VAL A 1 81 ? -6.278 -4.238 0.514 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 11 +ATOM 17313 O O . VAL A 1 81 ? -6.636 -5.246 -0.106 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 11 +ATOM 17314 C CB . VAL A 1 81 ? -5.264 -2.412 -0.974 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 11 +ATOM 17315 C CG1 . VAL A 1 81 ? -5.895 -2.981 -2.237 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 11 +ATOM 17316 C CG2 . VAL A 1 81 ? -6.088 -1.272 -0.422 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 11 +ATOM 17317 H H . VAL A 1 81 ? -4.456 -5.282 -0.801 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 11 +ATOM 17318 H HA . VAL A 1 81 ? -4.561 -3.054 0.987 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 11 +ATOM 17319 H HB . VAL A 1 81 ? -4.300 -2.020 -1.264 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 11 +ATOM 17320 H HG11 . VAL A 1 81 ? -6.064 -2.186 -2.947 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 11 +ATOM 17321 H HG12 . VAL A 1 81 ? -6.837 -3.445 -1.988 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 11 +ATOM 17322 H HG13 . VAL A 1 81 ? -5.233 -3.716 -2.672 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 11 +ATOM 17323 H HG21 . VAL A 1 81 ? -5.558 -0.831 0.408 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 11 +ATOM 17324 H HG22 . VAL A 1 81 ? -7.049 -1.640 -0.093 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 11 +ATOM 17325 H HG23 . VAL A 1 81 ? -6.223 -0.530 -1.196 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 11 +ATOM 17326 N N . GLY A 1 82 ? -6.908 -3.795 1.573 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 11 +ATOM 17327 C CA . GLY A 1 82 ? -8.122 -4.425 2.006 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 11 +ATOM 17328 C C . GLY A 1 82 ? -8.367 -4.214 3.467 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 11 +ATOM 17329 O O . GLY A 1 82 ? -8.264 -3.103 3.957 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 11 +ATOM 17330 H H . GLY A 1 82 ? -6.552 -3.040 2.095 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 11 +ATOM 17331 H HA2 . GLY A 1 82 ? -8.954 -4.028 1.444 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 11 +ATOM 17332 H HA3 . GLY A 1 82 ? -8.038 -5.484 1.821 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 11 +ATOM 17333 N N . LYS A 1 83 ? -8.677 -5.262 4.172 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 11 +ATOM 17334 C CA . LYS A 1 83 ? -8.964 -5.164 5.581 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 11 +ATOM 17335 C C . LYS A 1 83 ? -8.055 -6.087 6.379 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 11 +ATOM 17336 O O . LYS A 1 83 ? -7.405 -6.973 5.820 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 11 +ATOM 17337 C CB . LYS A 1 83 ? -10.434 -5.479 5.845 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 11 +ATOM 17338 C CG . LYS A 1 83 ? -11.396 -4.544 5.127 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 11 +ATOM 17339 C CD . LYS A 1 83 ? -12.843 -4.876 5.422 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 11 +ATOM 17340 C CE . LYS A 1 83 ? -13.229 -4.535 6.853 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 11 +ATOM 17341 N NZ . LYS A 1 83 ? -14.590 -5.001 7.169 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 11 +ATOM 17342 H H . LYS A 1 83 ? -8.724 -6.145 3.742 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 11 +ATOM 17343 H HA . LYS A 1 83 ? -8.770 -4.144 5.880 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 11 +ATOM 17344 H HB2 . LYS A 1 83 ? -10.628 -6.484 5.497 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 11 +ATOM 17345 H HB3 . LYS A 1 83 ? -10.626 -5.428 6.904 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 11 +ATOM 17346 H HG2 . LYS A 1 83 ? -11.203 -3.530 5.445 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 11 +ATOM 17347 H HG3 . LYS A 1 83 ? -11.225 -4.617 4.063 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 11 +ATOM 17348 H HD2 . LYS A 1 83 ? -13.464 -4.307 4.748 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 11 +ATOM 17349 H HD3 . LYS A 1 83 ? -13.000 -5.932 5.253 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 11 +ATOM 17350 H HE2 . LYS A 1 83 ? -12.532 -5.004 7.532 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 11 +ATOM 17351 H HE3 . LYS A 1 83 ? -13.186 -3.463 6.979 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 11 +ATOM 17352 H HZ1 . LYS A 1 83 ? -14.873 -4.708 8.127 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 11 +ATOM 17353 H HZ2 . LYS A 1 83 ? -14.580 -6.044 7.155 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 11 +ATOM 17354 H HZ3 . LYS A 1 83 ? -15.293 -4.676 6.476 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 11 +ATOM 17355 N N . ALA A 1 84 ? -8.031 -5.902 7.680 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 11 +ATOM 17356 C CA . ALA A 1 84 ? -7.149 -6.670 8.541 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 11 +ATOM 17357 C C . ALA A 1 84 ? -7.841 -7.901 9.087 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 11 +ATOM 17358 O O . ALA A 1 84 ? -7.260 -8.651 9.870 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 11 +ATOM 17359 C CB . ALA A 1 84 ? -6.629 -5.809 9.673 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 11 +ATOM 17360 H H . ALA A 1 84 ? -8.637 -5.246 8.092 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 11 +ATOM 17361 H HA . ALA A 1 84 ? -6.306 -6.987 7.945 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 11 +ATOM 17362 H HB1 . ALA A 1 84 ? -7.452 -5.510 10.304 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 11 +ATOM 17363 H HB2 . ALA A 1 84 ? -6.154 -4.928 9.264 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 11 +ATOM 17364 H HB3 . ALA A 1 84 ? -5.912 -6.367 10.256 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 11 +ATOM 17365 N N . GLU A 1 85 ? -9.064 -8.118 8.654 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 11 +ATOM 17366 C CA . GLU A 1 85 ? -9.837 -9.246 9.100 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 11 +ATOM 17367 C C . GLU A 1 85 ? -9.200 -10.538 8.633 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 11 +ATOM 17368 O O . GLU A 1 85 ? -8.855 -10.681 7.448 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 11 +ATOM 17369 C CB . GLU A 1 85 ? -11.302 -9.126 8.650 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 11 +ATOM 17370 C CG . GLU A 1 85 ? -11.495 -8.847 7.167 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 11 +ATOM 17371 C CD . GLU A 1 85 ? -12.948 -8.729 6.786 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 11 +ATOM 17372 O OE1 . GLU A 1 85 ? -13.563 -7.671 7.043 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 11 +ATOM 17373 O OE2 . GLU A 1 85 ? -13.503 -9.691 6.227 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 11 +ATOM 17374 H H . GLU A 1 85 ? -9.445 -7.515 7.986 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 11 +ATOM 17375 H HA . GLU A 1 85 ? -9.801 -9.233 10.179 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 11 +ATOM 17376 H HB2 . GLU A 1 85 ? -11.813 -10.047 8.886 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 11 +ATOM 17377 H HB3 . GLU A 1 85 ? -11.760 -8.324 9.209 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 11 +ATOM 17378 H HG2 . GLU A 1 85 ? -11.004 -7.917 6.929 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 11 +ATOM 17379 H HG3 . GLU A 1 85 ? -11.045 -9.647 6.598 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 11 +ATOM 17380 N N . ALA A 1 86 ? -8.962 -11.431 9.594 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 11 +ATOM 17381 C CA . ALA A 1 86 ? -8.339 -12.736 9.370 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 11 +ATOM 17382 C C . ALA A 1 86 ? -6.881 -12.585 8.920 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 11 +ATOM 17383 O O . ALA A 1 86 ? -6.292 -13.521 8.391 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 11 +ATOM 17384 C CB . ALA A 1 86 ? -9.150 -13.553 8.365 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 11 +ATOM 17385 H H . ALA A 1 86 ? -9.222 -11.203 10.514 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 11 +ATOM 17386 H HA . ALA A 1 86 ? -8.341 -13.259 10.316 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 11 +ATOM 17387 H HB1 . ALA A 1 86 ? -8.725 -14.539 8.255 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 11 +ATOM 17388 H HB2 . ALA A 1 86 ? -9.127 -13.032 7.419 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 11 +ATOM 17389 H HB3 . ALA A 1 86 ? -10.173 -13.623 8.706 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 11 +ATOM 17390 N N . SER A 1 87 ? -6.302 -11.396 9.169 1.00 0.00 ? ? ? ? ? ? 84 SER A N 11 +ATOM 17391 C CA . SER A 1 87 ? -4.921 -11.068 8.787 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 11 +ATOM 17392 C C . SER A 1 87 ? -4.744 -11.147 7.249 1.00 0.00 ? ? ? ? ? ? 84 SER A C 11 +ATOM 17393 O O . SER A 1 87 ? -3.631 -11.319 6.751 1.00 0.00 ? ? ? ? ? ? 84 SER A O 11 +ATOM 17394 C CB . SER A 1 87 ? -3.939 -12.023 9.504 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 11 +ATOM 17395 O OG . SER A 1 87 ? -4.159 -12.006 10.919 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 11 +ATOM 17396 H H . SER A 1 87 ? -6.834 -10.719 9.642 1.00 0.00 ? ? ? ? ? ? 84 SER A H 11 +ATOM 17397 H HA . SER A 1 87 ? -4.726 -10.056 9.107 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 11 +ATOM 17398 H HB2 . SER A 1 87 ? -4.092 -13.029 9.141 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 11 +ATOM 17399 H HB3 . SER A 1 87 ? -2.923 -11.716 9.304 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 11 +ATOM 17400 H HG . SER A 1 87 ? -5.106 -11.850 11.047 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 11 +ATOM 17401 N N . GLU A 1 88 ? -5.843 -10.876 6.523 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 11 +ATOM 17402 C CA . GLU A 1 88 ? -5.914 -11.041 5.060 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 11 +ATOM 17403 C C . GLU A 1 88 ? -4.827 -10.218 4.346 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 11 +ATOM 17404 O O . GLU A 1 88 ? -4.061 -10.761 3.548 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 11 +ATOM 17405 C CB . GLU A 1 88 ? -7.305 -10.606 4.574 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 11 +ATOM 17406 C CG . GLU A 1 88 ? -7.639 -10.980 3.135 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 11 +ATOM 17407 C CD . GLU A 1 88 ? -7.750 -12.473 2.935 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 11 +ATOM 17408 O OE1 . GLU A 1 88 ? -8.766 -13.079 3.376 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 11 +ATOM 17409 O OE2 . GLU A 1 88 ? -6.828 -13.092 2.371 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 11 +ATOM 17410 H H . GLU A 1 88 ? -6.657 -10.590 6.991 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 11 +ATOM 17411 H HA . GLU A 1 88 ? -5.779 -12.087 4.829 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 11 +ATOM 17412 H HB2 . GLU A 1 88 ? -8.048 -11.061 5.213 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 11 +ATOM 17413 H HB3 . GLU A 1 88 ? -7.380 -9.533 4.671 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 11 +ATOM 17414 H HG2 . GLU A 1 88 ? -8.579 -10.523 2.863 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 11 +ATOM 17415 H HG3 . GLU A 1 88 ? -6.857 -10.602 2.493 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 11 +ATOM 17416 N N . VAL A 1 89 ? -4.730 -8.930 4.676 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 11 +ATOM 17417 C CA . VAL A 1 89 ? -3.726 -8.053 4.053 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 11 +ATOM 17418 C C . VAL A 1 89 ? -2.291 -8.475 4.345 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 11 +ATOM 17419 O O . VAL A 1 89 ? -1.407 -8.207 3.559 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 11 +ATOM 17420 C CB . VAL A 1 89 ? -3.901 -6.551 4.413 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 11 +ATOM 17421 C CG1 . VAL A 1 89 ? -5.153 -5.993 3.782 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 11 +ATOM 17422 C CG2 . VAL A 1 89 ? -3.926 -6.342 5.926 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 11 +ATOM 17423 H H . VAL A 1 89 ? -5.364 -8.559 5.324 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 11 +ATOM 17424 H HA . VAL A 1 89 ? -3.868 -8.153 2.986 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 11 +ATOM 17425 H HB . VAL A 1 89 ? -3.057 -6.011 4.009 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 11 +ATOM 17426 H HG11 . VAL A 1 89 ? -5.091 -6.088 2.708 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 11 +ATOM 17427 H HG12 . VAL A 1 89 ? -5.256 -4.950 4.046 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 11 +ATOM 17428 H HG13 . VAL A 1 89 ? -6.009 -6.542 4.143 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 11 +ATOM 17429 H HG21 . VAL A 1 89 ? -4.050 -5.291 6.142 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 11 +ATOM 17430 H HG22 . VAL A 1 89 ? -3.001 -6.696 6.356 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 11 +ATOM 17431 H HG23 . VAL A 1 89 ? -4.751 -6.897 6.348 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 11 +ATOM 17432 N N . TYR A 1 90 ? -2.071 -9.157 5.450 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 11 +ATOM 17433 C CA . TYR A 1 90 ? -0.728 -9.555 5.810 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 11 +ATOM 17434 C C . TYR A 1 90 ? -0.334 -10.803 5.043 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 11 +ATOM 17435 O O . TYR A 1 90 ? 0.777 -10.889 4.512 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 11 +ATOM 17436 C CB . TYR A 1 90 ? -0.584 -9.773 7.320 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 11 +ATOM 17437 C CG . TYR A 1 90 ? -0.877 -8.542 8.164 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 11 +ATOM 17438 C CD1 . TYR A 1 90 ? -0.115 -7.384 8.035 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 11 +ATOM 17439 C CD2 . TYR A 1 90 ? -1.910 -8.542 9.091 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 11 +ATOM 17440 C CE1 . TYR A 1 90 ? -0.376 -6.266 8.808 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 11 +ATOM 17441 C CE2 . TYR A 1 90 ? -2.174 -7.430 9.867 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 11 +ATOM 17442 C CZ . TYR A 1 90 ? -1.408 -6.297 9.724 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 11 +ATOM 17443 O OH . TYR A 1 90 ? -1.677 -5.185 10.502 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 11 +ATOM 17444 H H . TYR A 1 90 ? -2.831 -9.430 6.004 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 11 +ATOM 17445 H HA . TYR A 1 90 ? -0.071 -8.753 5.505 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 11 +ATOM 17446 H HB2 . TYR A 1 90 ? -1.261 -10.556 7.626 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 11 +ATOM 17447 H HB3 . TYR A 1 90 ? 0.428 -10.087 7.530 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 11 +ATOM 17448 H HD1 . TYR A 1 90 ? 0.692 -7.363 7.317 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 11 +ATOM 17449 H HD2 . TYR A 1 90 ? -2.512 -9.431 9.207 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 11 +ATOM 17450 H HE1 . TYR A 1 90 ? 0.228 -5.378 8.693 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 11 +ATOM 17451 H HE2 . TYR A 1 90 ? -2.980 -7.448 10.584 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 11 +ATOM 17452 H HH . TYR A 1 90 ? -1.599 -5.467 11.422 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 11 +ATOM 17453 N N . SER A 1 91 ? -1.263 -11.746 4.956 1.00 0.00 ? ? ? ? ? ? 88 SER A N 11 +ATOM 17454 C CA . SER A 1 91 ? -1.047 -12.986 4.230 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 11 +ATOM 17455 C C . SER A 1 91 ? -0.858 -12.693 2.738 1.00 0.00 ? ? ? ? ? ? 88 SER A C 11 +ATOM 17456 O O . SER A 1 91 ? 0.024 -13.261 2.079 1.00 0.00 ? ? ? ? ? ? 88 SER A O 11 +ATOM 17457 C CB . SER A 1 91 ? -2.249 -13.899 4.442 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 11 +ATOM 17458 O OG . SER A 1 91 ? -2.514 -14.057 5.830 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 11 +ATOM 17459 H H . SER A 1 91 ? -2.129 -11.628 5.406 1.00 0.00 ? ? ? ? ? ? 88 SER A H 11 +ATOM 17460 H HA . SER A 1 91 ? -0.163 -13.466 4.620 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 11 +ATOM 17461 H HB2 . SER A 1 91 ? -3.114 -13.462 3.967 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 11 +ATOM 17462 H HB3 . SER A 1 91 ? -2.048 -14.869 4.014 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 11 +ATOM 17463 H HG . SER A 1 91 ? -3.052 -14.852 5.930 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 11 +ATOM 17464 N N . GLU A 1 92 ? -1.672 -11.776 2.227 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 11 +ATOM 17465 C CA . GLU A 1 92 ? -1.610 -11.366 0.843 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 11 +ATOM 17466 C C . GLU A 1 92 ? -0.241 -10.732 0.569 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 11 +ATOM 17467 O O . GLU A 1 92 ? 0.447 -11.102 -0.396 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 11 +ATOM 17468 C CB . GLU A 1 92 ? -2.728 -10.347 0.564 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 11 +ATOM 17469 C CG . GLU A 1 92 ? -2.972 -10.023 -0.909 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 11 +ATOM 17470 C CD . GLU A 1 92 ? -3.535 -11.188 -1.672 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 11 +ATOM 17471 O OE1 . GLU A 1 92 ? -4.672 -11.594 -1.393 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 11 +ATOM 17472 O OE2 . GLU A 1 92 ? -2.861 -11.731 -2.563 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 11 +ATOM 17473 H H . GLU A 1 92 ? -2.353 -11.366 2.806 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 11 +ATOM 17474 H HA . GLU A 1 92 ? -1.751 -12.234 0.216 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 11 +ATOM 17475 H HB2 . GLU A 1 92 ? -3.653 -10.726 0.973 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 11 +ATOM 17476 H HB3 . GLU A 1 92 ? -2.480 -9.428 1.074 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 11 +ATOM 17477 H HG2 . GLU A 1 92 ? -3.668 -9.201 -0.979 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 11 +ATOM 17478 H HG3 . GLU A 1 92 ? -2.032 -9.737 -1.359 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 11 +ATOM 17479 N N . ALA A 1 93 ? 0.169 -9.837 1.469 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 11 +ATOM 17480 C CA . ALA A 1 93 ? 1.404 -9.078 1.337 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 11 +ATOM 17481 C C . ALA A 1 93 ? 2.633 -9.957 1.319 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 11 +ATOM 17482 O O . ALA A 1 93 ? 3.436 -9.879 0.386 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 11 +ATOM 17483 C CB . ALA A 1 93 ? 1.522 -8.027 2.431 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 11 +ATOM 17484 H H . ALA A 1 93 ? -0.398 -9.666 2.251 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 11 +ATOM 17485 H HA . ALA A 1 93 ? 1.350 -8.557 0.394 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 11 +ATOM 17486 H HB1 . ALA A 1 93 ? 1.622 -8.516 3.389 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 11 +ATOM 17487 H HB2 . ALA A 1 93 ? 0.635 -7.411 2.434 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 11 +ATOM 17488 H HB3 . ALA A 1 93 ? 2.390 -7.410 2.247 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 11 +ATOM 17489 N N . VAL A 1 94 ? 2.775 -10.813 2.322 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 11 +ATOM 17490 C CA . VAL A 1 94 ? 3.959 -11.651 2.427 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 11 +ATOM 17491 C C . VAL A 1 94 ? 4.071 -12.606 1.228 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 11 +ATOM 17492 O O . VAL A 1 94 ? 5.158 -12.818 0.684 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 11 +ATOM 17493 C CB . VAL A 1 94 ? 4.041 -12.412 3.795 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 11 +ATOM 17494 C CG1 . VAL A 1 94 ? 2.918 -13.426 3.974 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 11 +ATOM 17495 C CG2 . VAL A 1 94 ? 5.409 -13.058 3.989 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 11 +ATOM 17496 H H . VAL A 1 94 ? 2.067 -10.875 3.005 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 11 +ATOM 17497 H HA . VAL A 1 94 ? 4.799 -10.974 2.358 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 11 +ATOM 17498 H HB . VAL A 1 94 ? 3.913 -11.671 4.571 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 11 +ATOM 17499 H HG11 . VAL A 1 94 ? 2.971 -14.159 3.182 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 11 +ATOM 17500 H HG12 . VAL A 1 94 ? 1.966 -12.919 3.931 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 11 +ATOM 17501 H HG13 . VAL A 1 94 ? 3.021 -13.919 4.930 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 11 +ATOM 17502 H HG21 . VAL A 1 94 ? 5.597 -13.757 3.188 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 11 +ATOM 17503 H HG22 . VAL A 1 94 ? 5.426 -13.584 4.933 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 11 +ATOM 17504 H HG23 . VAL A 1 94 ? 6.172 -12.294 3.987 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 11 +ATOM 17505 N N . LYS A 1 95 ? 2.936 -13.098 0.758 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 11 +ATOM 17506 C CA . LYS A 1 95 ? 2.928 -14.001 -0.365 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 11 +ATOM 17507 C C . LYS A 1 95 ? 3.270 -13.293 -1.670 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 11 +ATOM 17508 O O . LYS A 1 95 ? 3.749 -13.925 -2.591 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 11 +ATOM 17509 C CB . LYS A 1 95 ? 1.607 -14.760 -0.482 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 11 +ATOM 17510 C CG . LYS A 1 95 ? 1.349 -15.767 0.629 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 11 +ATOM 17511 C CD . LYS A 1 95 ? 2.389 -16.877 0.642 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 11 +ATOM 17512 C CE . LYS A 1 95 ? 2.121 -17.878 1.753 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 11 +ATOM 17513 N NZ . LYS A 1 95 ? 2.147 -17.252 3.086 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 11 +ATOM 17514 H H . LYS A 1 95 ? 2.089 -12.842 1.185 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 11 +ATOM 17515 H HA . LYS A 1 95 ? 3.715 -14.717 -0.182 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 11 +ATOM 17516 H HB2 . LYS A 1 95 ? 0.804 -14.039 -0.448 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 11 +ATOM 17517 H HB3 . LYS A 1 95 ? 1.579 -15.281 -1.427 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 11 +ATOM 17518 H HG2 . LYS A 1 95 ? 1.373 -15.257 1.580 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 11 +ATOM 17519 H HG3 . LYS A 1 95 ? 0.373 -16.204 0.481 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 11 +ATOM 17520 H HD2 . LYS A 1 95 ? 2.362 -17.396 -0.303 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 11 +ATOM 17521 H HD3 . LYS A 1 95 ? 3.369 -16.446 0.788 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 11 +ATOM 17522 H HE2 . LYS A 1 95 ? 1.147 -18.316 1.599 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 11 +ATOM 17523 H HE3 . LYS A 1 95 ? 2.875 -18.650 1.708 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 11 +ATOM 17524 H HZ1 . LYS A 1 95 ? 1.395 -16.540 3.191 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 11 +ATOM 17525 H HZ2 . LYS A 1 95 ? 3.065 -16.808 3.283 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 11 +ATOM 17526 H HZ3 . LYS A 1 95 ? 1.985 -17.971 3.820 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 11 +ATOM 17527 N N . ARG A 1 96 ? 3.067 -11.984 -1.741 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 11 +ATOM 17528 C CA . ARG A 1 96 ? 3.396 -11.250 -2.967 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 11 +ATOM 17529 C C . ARG A 1 96 ? 4.879 -11.008 -3.090 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 11 +ATOM 17530 O O . ARG A 1 96 ? 5.380 -10.673 -4.166 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 11 +ATOM 17531 C CB . ARG A 1 96 ? 2.640 -9.926 -3.107 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 11 +ATOM 17532 C CG . ARG A 1 96 ? 1.131 -10.047 -3.243 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 11 +ATOM 17533 C CD . ARG A 1 96 ? 0.750 -10.993 -4.364 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 11 +ATOM 17534 N NE . ARG A 1 96 ? 1.310 -10.601 -5.652 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 11 +ATOM 17535 C CZ . ARG A 1 96 ? 2.114 -11.355 -6.403 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 11 +ATOM 17536 N NH1 . ARG A 1 96 ? 2.331 -12.619 -6.087 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 11 +ATOM 17537 N NH2 . ARG A 1 96 ? 2.668 -10.844 -7.484 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 11 +ATOM 17538 H H . ARG A 1 96 ? 2.696 -11.501 -0.969 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 11 +ATOM 17539 H HA . ARG A 1 96 ? 3.129 -11.891 -3.788 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 11 +ATOM 17540 H HB2 . ARG A 1 96 ? 2.842 -9.333 -2.227 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 11 +ATOM 17541 H HB3 . ARG A 1 96 ? 3.021 -9.402 -3.971 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 11 +ATOM 17542 H HG2 . ARG A 1 96 ? 0.727 -10.424 -2.315 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 11 +ATOM 17543 H HG3 . ARG A 1 96 ? 0.716 -9.070 -3.447 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 11 +ATOM 17544 H HD2 . ARG A 1 96 ? 1.099 -11.981 -4.113 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 11 +ATOM 17545 H HD3 . ARG A 1 96 ? -0.326 -10.993 -4.429 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 11 +ATOM 17546 H HE . ARG A 1 96 ? 1.067 -9.681 -5.944 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 11 +ATOM 17547 H HH11 . ARG A 1 96 ? 1.914 -13.067 -5.293 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 11 +ATOM 17548 H HH12 . ARG A 1 96 ? 2.940 -13.207 -6.625 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 11 +ATOM 17549 H HH21 . ARG A 1 96 ? 2.477 -9.884 -7.725 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 11 +ATOM 17550 H HH22 . ARG A 1 96 ? 3.299 -11.368 -8.064 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 11 +ATOM 17551 N N . ILE A 1 97 ? 5.574 -11.186 -2.008 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 11 +ATOM 17552 C CA . ILE A 1 97 ? 6.999 -10.992 -1.987 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 11 +ATOM 17553 C C . ILE A 1 97 ? 7.703 -12.243 -2.515 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 11 +ATOM 17554 O O . ILE A 1 97 ? 8.747 -12.158 -3.149 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 11 +ATOM 17555 C CB . ILE A 1 97 ? 7.472 -10.634 -0.559 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 11 +ATOM 17556 C CG1 . ILE A 1 97 ? 6.716 -9.385 -0.094 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 11 +ATOM 17557 C CG2 . ILE A 1 97 ? 8.987 -10.393 -0.519 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 11 +ATOM 17558 C CD1 . ILE A 1 97 ? 6.938 -9.030 1.344 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 11 +ATOM 17559 H H . ILE A 1 97 ? 5.111 -11.455 -1.185 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 11 +ATOM 17560 H HA . ILE A 1 97 ? 7.222 -10.166 -2.648 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 11 +ATOM 17561 H HB . ILE A 1 97 ? 7.225 -11.449 0.105 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 11 +ATOM 17562 H HG12 . ILE A 1 97 ? 7.030 -8.541 -0.690 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 11 +ATOM 17563 H HG13 . ILE A 1 97 ? 5.658 -9.546 -0.241 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 11 +ATOM 17564 H HG21 . ILE A 1 97 ? 9.505 -11.284 -0.840 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 11 +ATOM 17565 H HG22 . ILE A 1 97 ? 9.289 -10.143 0.488 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 11 +ATOM 17566 H HG23 . ILE A 1 97 ? 9.237 -9.575 -1.179 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 11 +ATOM 17567 H HD11 . ILE A 1 97 ? 6.617 -9.865 1.949 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 11 +ATOM 17568 H HD12 . ILE A 1 97 ? 6.347 -8.158 1.579 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 11 +ATOM 17569 H HD13 . ILE A 1 97 ? 7.986 -8.834 1.510 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 11 +ATOM 17570 N N . LEU A 1 98 ? 7.107 -13.388 -2.296 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 11 +ATOM 17571 C CA . LEU A 1 98 ? 7.681 -14.621 -2.774 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 11 +ATOM 17572 C C . LEU A 1 98 ? 6.951 -15.077 -4.030 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 11 +ATOM 17573 O O . LEU A 1 98 ? 6.036 -15.909 -3.942 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 11 +ATOM 17574 C CB . LEU A 1 98 ? 7.682 -15.731 -1.690 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 11 +ATOM 17575 C CG . LEU A 1 98 ? 8.592 -15.532 -0.449 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 11 +ATOM 17576 C CD1 . LEU A 1 98 ? 10.027 -15.222 -0.845 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 11 +ATOM 17577 C CD2 . LEU A 1 98 ? 8.042 -14.489 0.518 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 11 +ATOM 17578 O OXT . LEU A 1 98 ? 7.254 -14.557 -5.118 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 11 +ATOM 17579 H H . LEU A 1 98 ? 6.251 -13.412 -1.822 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 11 +ATOM 17580 H HA . LEU A 1 98 ? 8.701 -14.402 -3.055 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 11 +ATOM 17581 H HB2 . LEU A 1 98 ? 6.667 -15.842 -1.337 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 11 +ATOM 17582 H HB3 . LEU A 1 98 ? 7.970 -16.651 -2.174 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 11 +ATOM 17583 H HG . LEU A 1 98 ? 8.633 -16.479 0.068 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 11 +ATOM 17584 H HD11 . LEU A 1 98 ? 10.418 -16.025 -1.453 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 11 +ATOM 17585 H HD12 . LEU A 1 98 ? 10.627 -15.125 0.048 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 11 +ATOM 17586 H HD13 . LEU A 1 98 ? 10.060 -14.295 -1.397 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 11 +ATOM 17587 H HD21 . LEU A 1 98 ? 7.076 -14.807 0.877 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 11 +ATOM 17588 H HD22 . LEU A 1 98 ? 7.942 -13.545 0.003 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 11 +ATOM 17589 H HD23 . LEU A 1 98 ? 8.720 -14.377 1.352 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 11 +ATOM 17590 N N . MET A 1 4 ? 11.723 15.073 -2.665 1.00 0.00 ? ? ? ? ? ? 1 MET A N 12 +ATOM 17591 C CA . MET A 1 4 ? 11.584 13.999 -3.653 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 12 +ATOM 17592 C C . MET A 1 4 ? 10.218 13.378 -3.528 1.00 0.00 ? ? ? ? ? ? 1 MET A C 12 +ATOM 17593 O O . MET A 1 4 ? 9.720 13.174 -2.412 1.00 0.00 ? ? ? ? ? ? 1 MET A O 12 +ATOM 17594 C CB . MET A 1 4 ? 12.651 12.917 -3.432 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 12 +ATOM 17595 C CG . MET A 1 4 ? 12.605 11.760 -4.433 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 12 +ATOM 17596 S SD . MET A 1 4 ? 13.814 10.460 -4.071 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 12 +ATOM 17597 C CE . MET A 1 4 ? 15.361 11.361 -4.248 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 12 +ATOM 17598 H H . MET A 1 4 ? 11.585 14.695 -1.706 1.00 0.00 ? ? ? ? ? ? 1 MET A H 12 +ATOM 17599 H HA . MET A 1 4 ? 11.694 14.415 -4.642 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 12 +ATOM 17600 H HB2 . MET A 1 4 ? 13.624 13.378 -3.494 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 12 +ATOM 17601 H HB3 . MET A 1 4 ? 12.507 12.509 -2.445 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 12 +ATOM 17602 H HG2 . MET A 1 4 ? 11.617 11.323 -4.411 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 12 +ATOM 17603 H HG3 . MET A 1 4 ? 12.799 12.148 -5.422 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 12 +ATOM 17604 H HE1 . MET A 1 4 ? 15.399 12.163 -3.525 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 12 +ATOM 17605 H HE2 . MET A 1 4 ? 15.428 11.773 -5.243 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 12 +ATOM 17606 H HE3 . MET A 1 4 ? 16.189 10.688 -4.082 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 12 +ATOM 17607 N N . ALA A 1 5 ? 9.621 13.100 -4.641 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 12 +ATOM 17608 C CA . ALA A 1 5 ? 8.338 12.457 -4.697 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 12 +ATOM 17609 C C . ALA A 1 5 ? 8.529 11.120 -5.361 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 12 +ATOM 17610 O O . ALA A 1 5 ? 9.226 11.025 -6.376 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 12 +ATOM 17611 C CB . ALA A 1 5 ? 7.339 13.307 -5.472 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 12 +ATOM 17612 H H . ALA A 1 5 ? 10.077 13.312 -5.485 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 12 +ATOM 17613 H HA . ALA A 1 5 ? 7.982 12.310 -3.688 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 12 +ATOM 17614 H HB1 . ALA A 1 5 ? 6.389 12.796 -5.506 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 12 +ATOM 17615 H HB2 . ALA A 1 5 ? 7.702 13.459 -6.478 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 12 +ATOM 17616 H HB3 . ALA A 1 5 ? 7.218 14.260 -4.977 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 12 +ATOM 17617 N N . TYR A 1 6 ? 7.967 10.104 -4.793 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 12 +ATOM 17618 C CA . TYR A 1 6 ? 8.132 8.763 -5.317 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 12 +ATOM 17619 C C . TYR A 1 6 ? 7.038 8.441 -6.300 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 12 +ATOM 17620 O O . TYR A 1 6 ? 6.016 9.129 -6.353 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 12 +ATOM 17621 C CB . TYR A 1 6 ? 8.124 7.721 -4.190 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 12 +ATOM 17622 C CG . TYR A 1 6 ? 9.329 7.734 -3.266 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 12 +ATOM 17623 C CD1 . TYR A 1 6 ? 9.758 8.900 -2.650 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 12 +ATOM 17624 C CD2 . TYR A 1 6 ? 10.030 6.560 -3.004 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 12 +ATOM 17625 C CE1 . TYR A 1 6 ? 10.840 8.901 -1.807 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 12 +ATOM 17626 C CE2 . TYR A 1 6 ? 11.112 6.555 -2.152 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 12 +ATOM 17627 C CZ . TYR A 1 6 ? 11.510 7.732 -1.557 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 12 +ATOM 17628 O OH . TYR A 1 6 ? 12.572 7.739 -0.698 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 12 +ATOM 17629 H H . TYR A 1 6 ? 7.399 10.243 -4.006 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 12 +ATOM 17630 H HA . TYR A 1 6 ? 9.084 8.716 -5.823 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 12 +ATOM 17631 H HB2 . TYR A 1 6 ? 7.245 7.867 -3.580 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 12 +ATOM 17632 H HB3 . TYR A 1 6 ? 8.068 6.743 -4.647 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 12 +ATOM 17633 H HD1 . TYR A 1 6 ? 9.230 9.822 -2.847 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 12 +ATOM 17634 H HD2 . TYR A 1 6 ? 9.713 5.641 -3.474 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 12 +ATOM 17635 H HE1 . TYR A 1 6 ? 11.156 9.822 -1.339 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 12 +ATOM 17636 H HE2 . TYR A 1 6 ? 11.645 5.636 -1.959 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 12 +ATOM 17637 H HH . TYR A 1 6 ? 13.260 7.131 -1.026 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 12 +ATOM 17638 N N . PHE A 1 7 ? 7.265 7.427 -7.083 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 12 +ATOM 17639 C CA . PHE A 1 7 ? 6.280 6.931 -8.009 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 12 +ATOM 17640 C C . PHE A 1 7 ? 5.360 5.988 -7.261 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 12 +ATOM 17641 O O . PHE A 1 7 ? 5.753 5.435 -6.248 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 12 +ATOM 17642 C CB . PHE A 1 7 ? 6.964 6.188 -9.167 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 12 +ATOM 17643 C CG . PHE A 1 7 ? 7.820 7.056 -10.047 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 12 +ATOM 17644 C CD1 . PHE A 1 7 ? 9.162 7.257 -9.762 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 12 +ATOM 17645 C CD2 . PHE A 1 7 ? 7.280 7.667 -11.161 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 12 +ATOM 17646 C CE1 . PHE A 1 7 ? 9.946 8.050 -10.575 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 12 +ATOM 17647 C CE2 . PHE A 1 7 ? 8.057 8.460 -11.977 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 12 +ATOM 17648 C CZ . PHE A 1 7 ? 9.392 8.654 -11.685 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 12 +ATOM 17649 H H . PHE A 1 7 ? 8.139 6.978 -7.028 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 12 +ATOM 17650 H HA . PHE A 1 7 ? 5.712 7.762 -8.397 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 12 +ATOM 17651 H HB2 . PHE A 1 7 ? 7.612 5.434 -8.745 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 12 +ATOM 17652 H HB3 . PHE A 1 7 ? 6.221 5.701 -9.780 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 12 +ATOM 17653 H HD1 . PHE A 1 7 ? 9.593 6.784 -8.893 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 12 +ATOM 17654 H HD2 . PHE A 1 7 ? 6.236 7.518 -11.393 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 12 +ATOM 17655 H HE1 . PHE A 1 7 ? 10.991 8.200 -10.342 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 12 +ATOM 17656 H HE2 . PHE A 1 7 ? 7.614 8.930 -12.842 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 12 +ATOM 17657 H HZ . PHE A 1 7 ? 10.001 9.276 -12.324 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 12 +ATOM 17658 N N . LEU A 1 8 ? 4.163 5.819 -7.724 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 12 +ATOM 17659 C CA . LEU A 1 8 ? 3.239 4.908 -7.075 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 12 +ATOM 17660 C C . LEU A 1 8 ? 2.888 3.810 -8.075 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 12 +ATOM 17661 O O . LEU A 1 8 ? 2.440 4.104 -9.187 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 12 +ATOM 17662 C CB . LEU A 1 8 ? 1.968 5.679 -6.613 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 12 +ATOM 17663 C CG . LEU A 1 8 ? 1.061 5.035 -5.514 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 12 +ATOM 17664 C CD1 . LEU A 1 8 ? 0.475 3.701 -5.923 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 12 +ATOM 17665 C CD2 . LEU A 1 8 ? 1.804 4.899 -4.199 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 12 +ATOM 17666 H H . LEU A 1 8 ? 3.876 6.306 -8.525 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 12 +ATOM 17667 H HA . LEU A 1 8 ? 3.735 4.474 -6.221 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 12 +ATOM 17668 H HB2 . LEU A 1 8 ? 2.286 6.645 -6.249 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 12 +ATOM 17669 H HB3 . LEU A 1 8 ? 1.357 5.848 -7.488 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 12 +ATOM 17670 H HG . LEU A 1 8 ? 0.227 5.700 -5.345 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 12 +ATOM 17671 H HD11 . LEU A 1 8 ? 1.277 3.028 -6.190 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 12 +ATOM 17672 H HD12 . LEU A 1 8 ? -0.192 3.827 -6.763 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 12 +ATOM 17673 H HD13 . LEU A 1 8 ? -0.065 3.283 -5.085 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 12 +ATOM 17674 H HD21 . LEU A 1 8 ? 2.685 4.292 -4.345 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 12 +ATOM 17675 H HD22 . LEU A 1 8 ? 1.161 4.416 -3.478 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 12 +ATOM 17676 H HD23 . LEU A 1 8 ? 2.087 5.872 -3.829 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 12 +ATOM 17677 N N . ASP A 1 9 ? 3.109 2.576 -7.694 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 12 +ATOM 17678 C CA . ASP A 1 9 ? 2.820 1.435 -8.547 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 12 +ATOM 17679 C C . ASP A 1 9 ? 2.016 0.412 -7.755 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 12 +ATOM 17680 O O . ASP A 1 9 ? 2.003 0.449 -6.522 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 12 +ATOM 17681 C CB . ASP A 1 9 ? 4.130 0.821 -9.073 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 12 +ATOM 17682 C CG . ASP A 1 9 ? 3.931 -0.298 -10.075 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 12 +ATOM 17683 O OD1 . ASP A 1 9 ? 3.011 -0.209 -10.921 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 12 +ATOM 17684 O OD2 . ASP A 1 9 ? 4.707 -1.274 -10.058 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 12 +ATOM 17685 H H . ASP A 1 9 ? 3.471 2.398 -6.794 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 12 +ATOM 17686 H HA . ASP A 1 9 ? 2.225 1.782 -9.379 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 12 +ATOM 17687 H HB2 . ASP A 1 9 ? 4.727 1.588 -9.543 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 12 +ATOM 17688 H HB3 . ASP A 1 9 ? 4.667 0.420 -8.228 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 12 +ATOM 17689 N N . PHE A 1 10 ? 1.349 -0.475 -8.441 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 12 +ATOM 17690 C CA . PHE A 1 10 ? 0.508 -1.479 -7.812 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 12 +ATOM 17691 C C . PHE A 1 10 ? 0.814 -2.827 -8.401 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 12 +ATOM 17692 O O . PHE A 1 10 ? 1.108 -2.931 -9.600 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 12 +ATOM 17693 C CB . PHE A 1 10 ? -0.988 -1.229 -8.093 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 12 +ATOM 17694 C CG . PHE A 1 10 ? -1.597 0.047 -7.592 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 12 +ATOM 17695 C CD1 . PHE A 1 10 ? -2.180 0.103 -6.338 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 12 +ATOM 17696 C CD2 . PHE A 1 10 ? -1.638 1.173 -8.396 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 12 +ATOM 17697 C CE1 . PHE A 1 10 ? -2.782 1.262 -5.888 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 12 +ATOM 17698 C CE2 . PHE A 1 10 ? -2.244 2.329 -7.956 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 12 +ATOM 17699 C CZ . PHE A 1 10 ? -2.815 2.377 -6.699 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 12 +ATOM 17700 H H . PHE A 1 10 ? 1.469 -0.500 -9.416 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 12 +ATOM 17701 H HA . PHE A 1 10 ? 0.668 -1.480 -6.745 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 12 +ATOM 17702 H HB2 . PHE A 1 10 ? -1.135 -1.239 -9.162 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 12 +ATOM 17703 H HB3 . PHE A 1 10 ? -1.547 -2.053 -7.671 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 12 +ATOM 17704 H HD1 . PHE A 1 10 ? -2.155 -0.769 -5.702 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 12 +ATOM 17705 H HD2 . PHE A 1 10 ? -1.185 1.140 -9.376 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 12 +ATOM 17706 H HE1 . PHE A 1 10 ? -3.227 1.296 -4.904 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 12 +ATOM 17707 H HE2 . PHE A 1 10 ? -2.268 3.199 -8.596 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 12 +ATOM 17708 H HZ . PHE A 1 10 ? -3.290 3.284 -6.354 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 12 +ATOM 17709 N N . ASP A 1 11 ? 0.752 -3.851 -7.592 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 12 +ATOM 17710 C CA . ASP A 1 11 ? 0.804 -5.205 -8.111 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 12 +ATOM 17711 C C . ASP A 1 11 ? -0.588 -5.516 -8.633 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 12 +ATOM 17712 O O . ASP A 1 11 ? -1.568 -4.904 -8.173 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 12 +ATOM 17713 C CB . ASP A 1 11 ? 1.176 -6.227 -7.015 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 12 +ATOM 17714 C CG . ASP A 1 11 ? 1.335 -7.645 -7.565 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 12 +ATOM 17715 O OD1 . ASP A 1 11 ? 0.335 -8.331 -7.760 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 12 +ATOM 17716 O OD2 . ASP A 1 11 ? 2.474 -8.088 -7.826 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 12 +ATOM 17717 H H . ASP A 1 11 ? 0.682 -3.703 -6.623 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 12 +ATOM 17718 H HA . ASP A 1 11 ? 1.516 -5.241 -8.921 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 12 +ATOM 17719 H HB2 . ASP A 1 11 ? 2.104 -5.930 -6.551 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 12 +ATOM 17720 H HB3 . ASP A 1 11 ? 0.395 -6.237 -6.269 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 12 +ATOM 17721 N N . GLU A 1 12 ? -0.697 -6.419 -9.579 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 12 +ATOM 17722 C CA . GLU A 1 12 ? -1.983 -6.802 -10.122 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 12 +ATOM 17723 C C . GLU A 1 12 ? -2.925 -7.346 -9.028 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 12 +ATOM 17724 O O . GLU A 1 12 ? -4.142 -7.154 -9.105 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 12 +ATOM 17725 C CB . GLU A 1 12 ? -1.809 -7.763 -11.311 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 12 +ATOM 17726 C CG . GLU A 1 12 ? -1.055 -9.054 -11.014 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 12 +ATOM 17727 C CD . GLU A 1 12 ? -1.957 -10.252 -10.893 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 12 +ATOM 17728 O OE1 . GLU A 1 12 ? -2.454 -10.549 -9.803 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 12 +ATOM 17729 O OE2 . GLU A 1 12 ? -2.200 -10.925 -11.910 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 12 +ATOM 17730 H H . GLU A 1 12 ? 0.115 -6.850 -9.921 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 12 +ATOM 17731 H HA . GLU A 1 12 ? -2.430 -5.886 -10.482 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 12 +ATOM 17732 H HB2 . GLU A 1 12 ? -2.789 -8.034 -11.675 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 12 +ATOM 17733 H HB3 . GLU A 1 12 ? -1.285 -7.237 -12.096 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 12 +ATOM 17734 H HG2 . GLU A 1 12 ? -0.349 -9.240 -11.809 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 12 +ATOM 17735 H HG3 . GLU A 1 12 ? -0.521 -8.929 -10.084 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 12 +ATOM 17736 N N . ARG A 1 13 ? -2.349 -7.955 -7.980 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 12 +ATOM 17737 C CA . ARG A 1 13 ? -3.122 -8.434 -6.835 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 12 +ATOM 17738 C C . ARG A 1 13 ? -3.764 -7.269 -6.137 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 12 +ATOM 17739 O O . ARG A 1 13 ? -4.959 -7.299 -5.832 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 12 +ATOM 17740 C CB . ARG A 1 13 ? -2.244 -9.209 -5.843 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 12 +ATOM 17741 C CG . ARG A 1 13 ? -1.641 -10.448 -6.434 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 12 +ATOM 17742 C CD . ARG A 1 13 ? -2.689 -11.493 -6.745 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 12 +ATOM 17743 N NE . ARG A 1 13 ? -2.261 -12.333 -7.853 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 12 +ATOM 17744 C CZ . ARG A 1 13 ? -2.069 -13.647 -7.815 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 12 +ATOM 17745 N NH1 . ARG A 1 13 ? -2.266 -14.333 -6.700 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 12 +ATOM 17746 N NH2 . ARG A 1 13 ? -1.685 -14.276 -8.905 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 12 +ATOM 17747 H H . ARG A 1 13 ? -1.368 -8.090 -7.987 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 12 +ATOM 17748 H HA . ARG A 1 13 ? -3.898 -9.083 -7.208 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 12 +ATOM 17749 H HB2 . ARG A 1 13 ? -1.443 -8.564 -5.512 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 12 +ATOM 17750 H HB3 . ARG A 1 13 ? -2.844 -9.492 -4.991 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 12 +ATOM 17751 H HG2 . ARG A 1 13 ? -1.135 -10.185 -7.351 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 12 +ATOM 17752 H HG3 . ARG A 1 13 ? -0.925 -10.859 -5.737 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 12 +ATOM 17753 H HD2 . ARG A 1 13 ? -2.827 -12.107 -5.869 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 12 +ATOM 17754 H HD3 . ARG A 1 13 ? -3.625 -11.023 -7.001 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 12 +ATOM 17755 H HE . ARG A 1 13 ? -2.123 -11.795 -8.676 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 12 +ATOM 17756 H HH11 . ARG A 1 13 ? -2.571 -13.923 -5.835 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 12 +ATOM 17757 H HH12 . ARG A 1 13 ? -2.085 -15.320 -6.683 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 12 +ATOM 17758 H HH21 . ARG A 1 13 ? -1.522 -13.813 -9.783 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 12 +ATOM 17759 H HH22 . ARG A 1 13 ? -1.532 -15.270 -8.903 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 12 +ATOM 17760 N N . ALA A 1 14 ? -2.985 -6.227 -5.943 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 12 +ATOM 17761 C CA . ALA A 1 14 ? -3.444 -5.027 -5.298 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 12 +ATOM 17762 C C . ALA A 1 14 ? -4.520 -4.359 -6.130 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 12 +ATOM 17763 O O . ALA A 1 14 ? -5.497 -3.897 -5.592 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 12 +ATOM 17764 C CB . ALA A 1 14 ? -2.291 -4.073 -5.048 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 12 +ATOM 17765 H H . ALA A 1 14 ? -2.060 -6.267 -6.265 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 12 +ATOM 17766 H HA . ALA A 1 14 ? -3.867 -5.310 -4.345 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 12 +ATOM 17767 H HB1 . ALA A 1 14 ? -2.654 -3.197 -4.531 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 12 +ATOM 17768 H HB2 . ALA A 1 14 ? -1.856 -3.780 -5.992 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 12 +ATOM 17769 H HB3 . ALA A 1 14 ? -1.542 -4.562 -4.443 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 12 +ATOM 17770 N N . LEU A 1 15 ? -4.351 -4.370 -7.454 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 12 +ATOM 17771 C CA . LEU A 1 15 ? -5.317 -3.768 -8.366 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 12 +ATOM 17772 C C . LEU A 1 15 ? -6.664 -4.454 -8.289 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 12 +ATOM 17773 O O . LEU A 1 15 ? -7.701 -3.799 -8.297 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 12 +ATOM 17774 C CB . LEU A 1 15 ? -4.801 -3.789 -9.797 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 12 +ATOM 17775 C CG . LEU A 1 15 ? -3.683 -2.808 -10.131 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 12 +ATOM 17776 C CD1 . LEU A 1 15 ? -3.199 -3.036 -11.547 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 12 +ATOM 17777 C CD2 . LEU A 1 15 ? -4.177 -1.372 -9.972 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 12 +ATOM 17778 H H . LEU A 1 15 ? -3.552 -4.795 -7.836 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 12 +ATOM 17779 H HA . LEU A 1 15 ? -5.447 -2.741 -8.064 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 12 +ATOM 17780 H HB2 . LEU A 1 15 ? -4.443 -4.787 -10.001 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 12 +ATOM 17781 H HB3 . LEU A 1 15 ? -5.638 -3.592 -10.448 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 12 +ATOM 17782 H HG . LEU A 1 15 ? -2.853 -2.959 -9.456 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 12 +ATOM 17783 H HD11 . LEU A 1 15 ? -4.023 -2.892 -12.230 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 12 +ATOM 17784 H HD12 . LEU A 1 15 ? -2.819 -4.043 -11.641 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 12 +ATOM 17785 H HD13 . LEU A 1 15 ? -2.415 -2.331 -11.776 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 12 +ATOM 17786 H HD21 . LEU A 1 15 ? -5.035 -1.220 -10.609 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 12 +ATOM 17787 H HD22 . LEU A 1 15 ? -3.392 -0.689 -10.260 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 12 +ATOM 17788 H HD23 . LEU A 1 15 ? -4.453 -1.184 -8.945 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 12 +ATOM 17789 N N . LYS A 1 16 ? -6.640 -5.764 -8.199 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 12 +ATOM 17790 C CA . LYS A 1 16 ? -7.853 -6.551 -8.091 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 12 +ATOM 17791 C C . LYS A 1 16 ? -8.596 -6.201 -6.811 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 12 +ATOM 17792 O O . LYS A 1 16 ? -9.805 -6.003 -6.824 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 12 +ATOM 17793 C CB . LYS A 1 16 ? -7.503 -8.025 -8.109 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 12 +ATOM 17794 C CG . LYS A 1 16 ? -6.929 -8.494 -9.425 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 12 +ATOM 17795 C CD . LYS A 1 16 ? -6.200 -9.802 -9.259 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 12 +ATOM 17796 C CE . LYS A 1 16 ? -5.698 -10.325 -10.591 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 12 +ATOM 17797 N NZ . LYS A 1 16 ? -4.865 -11.534 -10.436 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 12 +ATOM 17798 H H . LYS A 1 16 ? -5.767 -6.215 -8.216 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 12 +ATOM 17799 H HA . LYS A 1 16 ? -8.469 -6.325 -8.948 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 12 +ATOM 17800 H HB2 . LYS A 1 16 ? -6.772 -8.206 -7.336 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 12 +ATOM 17801 H HB3 . LYS A 1 16 ? -8.393 -8.598 -7.897 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 12 +ATOM 17802 H HG2 . LYS A 1 16 ? -7.730 -8.623 -10.137 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 12 +ATOM 17803 H HG3 . LYS A 1 16 ? -6.239 -7.748 -9.789 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 12 +ATOM 17804 H HD2 . LYS A 1 16 ? -5.358 -9.622 -8.605 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 12 +ATOM 17805 H HD3 . LYS A 1 16 ? -6.865 -10.521 -8.805 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 12 +ATOM 17806 H HE2 . LYS A 1 16 ? -6.547 -10.567 -11.213 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 12 +ATOM 17807 H HE3 . LYS A 1 16 ? -5.113 -9.551 -11.067 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 12 +ATOM 17808 H HZ1 . LYS A 1 16 ? -4.650 -11.939 -11.371 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 12 +ATOM 17809 H HZ2 . LYS A 1 16 ? -5.325 -12.269 -9.866 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 12 +ATOM 17810 H HZ3 . LYS A 1 16 ? -3.945 -11.267 -10.015 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 12 +ATOM 17811 N N . GLU A 1 17 ? -7.857 -6.083 -5.718 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 12 +ATOM 17812 C CA . GLU A 1 17 ? -8.438 -5.731 -4.439 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 12 +ATOM 17813 C C . GLU A 1 17 ? -8.923 -4.276 -4.458 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 12 +ATOM 17814 O O . GLU A 1 17 ? -9.977 -3.962 -3.943 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 12 +ATOM 17815 C CB . GLU A 1 17 ? -7.409 -5.925 -3.336 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 12 +ATOM 17816 C CG . GLU A 1 17 ? -6.800 -7.317 -3.289 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 12 +ATOM 17817 C CD . GLU A 1 17 ? -7.817 -8.409 -3.101 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 12 +ATOM 17818 O OE1 . GLU A 1 17 ? -8.576 -8.383 -2.121 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 12 +ATOM 17819 O OE2 . GLU A 1 17 ? -7.896 -9.308 -3.943 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 12 +ATOM 17820 H H . GLU A 1 17 ? -6.889 -6.245 -5.763 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 12 +ATOM 17821 H HA . GLU A 1 17 ? -9.277 -6.386 -4.259 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 12 +ATOM 17822 H HB2 . GLU A 1 17 ? -6.610 -5.214 -3.484 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 12 +ATOM 17823 H HB3 . GLU A 1 17 ? -7.883 -5.729 -2.385 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 12 +ATOM 17824 H HG2 . GLU A 1 17 ? -6.309 -7.485 -4.237 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 12 +ATOM 17825 H HG3 . GLU A 1 17 ? -6.061 -7.370 -2.506 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 12 +ATOM 17826 N N . TRP A 1 18 ? -8.142 -3.428 -5.086 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 12 +ATOM 17827 C CA . TRP A 1 18 ? -8.410 -2.000 -5.222 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 12 +ATOM 17828 C C . TRP A 1 18 ? -9.712 -1.755 -5.984 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 12 +ATOM 17829 O O . TRP A 1 18 ? -10.541 -0.956 -5.570 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 12 +ATOM 17830 C CB . TRP A 1 18 ? -7.222 -1.361 -5.957 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 12 +ATOM 17831 C CG . TRP A 1 18 ? -7.301 0.111 -6.171 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 12 +ATOM 17832 C CD1 . TRP A 1 18 ? -7.721 0.751 -7.297 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 12 +ATOM 17833 C CD2 . TRP A 1 18 ? -6.924 1.127 -5.247 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 12 +ATOM 17834 N NE1 . TRP A 1 18 ? -7.633 2.102 -7.123 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 12 +ATOM 17835 C CE2 . TRP A 1 18 ? -7.146 2.361 -5.876 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 12 +ATOM 17836 C CE3 . TRP A 1 18 ? -6.421 1.111 -3.945 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 12 +ATOM 17837 C CZ2 . TRP A 1 18 ? -6.883 3.568 -5.251 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 12 +ATOM 17838 C CZ3 . TRP A 1 18 ? -6.161 2.312 -3.326 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 12 +ATOM 17839 C CH2 . TRP A 1 18 ? -6.389 3.522 -3.977 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 12 +ATOM 17840 H H . TRP A 1 18 ? -7.305 -3.767 -5.475 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 12 +ATOM 17841 H HA . TRP A 1 18 ? -8.483 -1.563 -4.237 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 12 +ATOM 17842 H HB2 . TRP A 1 18 ? -6.321 -1.552 -5.394 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 12 +ATOM 17843 H HB3 . TRP A 1 18 ? -7.127 -1.836 -6.921 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 12 +ATOM 17844 H HD1 . TRP A 1 18 ? -8.069 0.251 -8.188 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 12 +ATOM 17845 H HE1 . TRP A 1 18 ? -7.876 2.776 -7.795 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 12 +ATOM 17846 H HE3 . TRP A 1 18 ? -6.237 0.182 -3.427 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 12 +ATOM 17847 H HZ2 . TRP A 1 18 ? -7.056 4.512 -5.746 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 12 +ATOM 17848 H HZ3 . TRP A 1 18 ? -5.770 2.325 -2.320 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 12 +ATOM 17849 H HH2 . TRP A 1 18 ? -6.169 4.438 -3.447 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 12 +ATOM 17850 N N . ARG A 1 19 ? -9.883 -2.450 -7.090 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 12 +ATOM 17851 C CA . ARG A 1 19 ? -11.086 -2.310 -7.900 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 12 +ATOM 17852 C C . ARG A 1 19 ? -12.276 -2.972 -7.210 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 12 +ATOM 17853 O O . ARG A 1 19 ? -13.426 -2.574 -7.404 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 12 +ATOM 17854 C CB . ARG A 1 19 ? -10.875 -2.890 -9.295 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 12 +ATOM 17855 C CG . ARG A 1 19 ? -9.824 -2.169 -10.122 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 12 +ATOM 17856 C CD . ARG A 1 19 ? -9.643 -2.830 -11.479 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 12 +ATOM 17857 N NE . ARG A 1 19 ? -10.895 -2.839 -12.252 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 12 +ATOM 17858 C CZ . ARG A 1 19 ? -11.089 -3.456 -13.426 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 12 +ATOM 17859 N NH1 . ARG A 1 19 ? -10.095 -4.117 -14.012 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 12 +ATOM 17860 N NH2 . ARG A 1 19 ? -12.287 -3.405 -14.004 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 12 +ATOM 17861 H H . ARG A 1 19 ? -9.168 -3.065 -7.373 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 12 +ATOM 17862 H HA . ARG A 1 19 ? -11.290 -1.252 -7.985 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 12 +ATOM 17863 H HB2 . ARG A 1 19 ? -10.564 -3.919 -9.192 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 12 +ATOM 17864 H HB3 . ARG A 1 19 ? -11.812 -2.857 -9.833 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 12 +ATOM 17865 H HG2 . ARG A 1 19 ? -10.133 -1.145 -10.268 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 12 +ATOM 17866 H HG3 . ARG A 1 19 ? -8.885 -2.191 -9.589 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 12 +ATOM 17867 H HD2 . ARG A 1 19 ? -8.887 -2.295 -12.034 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 12 +ATOM 17868 H HD3 . ARG A 1 19 ? -9.322 -3.848 -11.321 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 12 +ATOM 17869 H HE . ARG A 1 19 ? -11.641 -2.342 -11.844 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 12 +ATOM 17870 H HH11 . ARG A 1 19 ? -9.178 -4.185 -13.607 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 12 +ATOM 17871 H HH12 . ARG A 1 19 ? -10.219 -4.583 -14.890 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 12 +ATOM 17872 H HH21 . ARG A 1 19 ? -13.044 -2.911 -13.565 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 12 +ATOM 17873 H HH22 . ARG A 1 19 ? -12.507 -3.848 -14.878 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 12 +ATOM 17874 N N . LYS A 1 20 ? -11.979 -3.990 -6.416 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 12 +ATOM 17875 C CA . LYS A 1 20 ? -12.973 -4.691 -5.604 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 12 +ATOM 17876 C C . LYS A 1 20 ? -13.510 -3.744 -4.530 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 12 +ATOM 17877 O O . LYS A 1 20 ? -14.707 -3.762 -4.194 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 12 +ATOM 17878 C CB . LYS A 1 20 ? -12.307 -5.884 -4.925 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 12 +ATOM 17879 C CG . LYS A 1 20 ? -13.214 -6.724 -4.047 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 12 +ATOM 17880 C CD . LYS A 1 20 ? -12.407 -7.693 -3.188 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 12 +ATOM 17881 C CE . LYS A 1 20 ? -11.553 -8.626 -4.023 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 12 +ATOM 17882 N NZ . LYS A 1 20 ? -10.779 -9.561 -3.184 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 12 +ATOM 17883 H H . LYS A 1 20 ? -11.045 -4.294 -6.387 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 12 +ATOM 17884 H HA . LYS A 1 20 ? -13.775 -5.038 -6.236 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 12 +ATOM 17885 H HB2 . LYS A 1 20 ? -11.902 -6.524 -5.694 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 12 +ATOM 17886 H HB3 . LYS A 1 20 ? -11.490 -5.516 -4.320 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 12 +ATOM 17887 H HG2 . LYS A 1 20 ? -13.779 -6.067 -3.402 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 12 +ATOM 17888 H HG3 . LYS A 1 20 ? -13.892 -7.285 -4.672 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 12 +ATOM 17889 H HD2 . LYS A 1 20 ? -11.761 -7.128 -2.534 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 12 +ATOM 17890 H HD3 . LYS A 1 20 ? -13.091 -8.282 -2.594 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 12 +ATOM 17891 H HE2 . LYS A 1 20 ? -12.189 -9.180 -4.698 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 12 +ATOM 17892 H HE3 . LYS A 1 20 ? -10.870 -8.011 -4.590 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 12 +ATOM 17893 H HZ1 . LYS A 1 20 ? -10.310 -10.276 -3.775 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 12 +ATOM 17894 H HZ2 . LYS A 1 20 ? -11.375 -10.043 -2.481 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 12 +ATOM 17895 H HZ3 . LYS A 1 20 ? -10.024 -9.051 -2.670 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 12 +ATOM 17896 N N . LEU A 1 21 ? -12.607 -2.945 -3.990 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 12 +ATOM 17897 C CA . LEU A 1 21 ? -12.911 -1.956 -2.975 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 12 +ATOM 17898 C C . LEU A 1 21 ? -13.963 -0.972 -3.450 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 12 +ATOM 17899 O O . LEU A 1 21 ? -14.120 -0.726 -4.657 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 12 +ATOM 17900 C CB . LEU A 1 21 ? -11.646 -1.188 -2.570 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 12 +ATOM 17901 C CG . LEU A 1 21 ? -11.045 -1.483 -1.191 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 12 +ATOM 17902 C CD1 . LEU A 1 21 ? -10.744 -2.961 -1.004 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 12 +ATOM 17903 C CD2 . LEU A 1 21 ? -9.789 -0.664 -1.003 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 12 +ATOM 17904 H H . LEU A 1 21 ? -11.674 -3.031 -4.287 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 12 +ATOM 17905 H HA . LEU A 1 21 ? -13.267 -2.501 -2.115 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 12 +ATOM 17906 H HB2 . LEU A 1 21 ? -10.887 -1.393 -3.310 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 12 +ATOM 17907 H HB3 . LEU A 1 21 ? -11.878 -0.134 -2.615 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 12 +ATOM 17908 H HG . LEU A 1 21 ? -11.745 -1.176 -0.431 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 12 +ATOM 17909 H HD11 . LEU A 1 21 ? -11.658 -3.527 -1.099 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 12 +ATOM 17910 H HD12 . LEU A 1 21 ? -10.324 -3.119 -0.021 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 12 +ATOM 17911 H HD13 . LEU A 1 21 ? -10.039 -3.283 -1.756 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 12 +ATOM 17912 H HD21 . LEU A 1 21 ? -9.069 -0.913 -1.769 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 12 +ATOM 17913 H HD22 . LEU A 1 21 ? -9.370 -0.863 -0.027 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 12 +ATOM 17914 H HD23 . LEU A 1 21 ? -10.042 0.384 -1.078 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 12 +ATOM 17915 N N . GLY A 1 22 ? -14.671 -0.412 -2.509 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 12 +ATOM 17916 C CA . GLY A 1 22 ? -15.691 0.543 -2.815 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 12 +ATOM 17917 C C . GLY A 1 22 ? -15.063 1.838 -3.206 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 12 +ATOM 17918 O O . GLY A 1 22 ? -13.985 2.173 -2.688 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 12 +ATOM 17919 H H . GLY A 1 22 ? -14.461 -0.629 -1.576 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 12 +ATOM 17920 H HA2 . GLY A 1 22 ? -16.294 0.172 -3.629 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 12 +ATOM 17921 H HA3 . GLY A 1 22 ? -16.310 0.702 -1.945 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 12 +ATOM 17922 N N . SER A 1 23 ? -15.707 2.564 -4.099 1.00 0.00 ? ? ? ? ? ? 20 SER A N 12 +ATOM 17923 C CA . SER A 1 23 ? -15.191 3.809 -4.629 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 12 +ATOM 17924 C C . SER A 1 23 ? -14.735 4.774 -3.534 1.00 0.00 ? ? ? ? ? ? 20 SER A C 12 +ATOM 17925 O O . SER A 1 23 ? -13.611 5.227 -3.562 1.00 0.00 ? ? ? ? ? ? 20 SER A O 12 +ATOM 17926 C CB . SER A 1 23 ? -16.227 4.458 -5.544 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 12 +ATOM 17927 O OG . SER A 1 23 ? -16.542 3.597 -6.640 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 12 +ATOM 17928 H H . SER A 1 23 ? -16.583 2.255 -4.420 1.00 0.00 ? ? ? ? ? ? 20 SER A H 12 +ATOM 17929 H HA . SER A 1 23 ? -14.329 3.558 -5.228 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 12 +ATOM 17930 H HB2 . SER A 1 23 ? -17.128 4.650 -4.980 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 12 +ATOM 17931 H HB3 . SER A 1 23 ? -15.837 5.389 -5.928 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 12 +ATOM 17932 H HG . SER A 1 23 ? -16.094 3.981 -7.406 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 12 +ATOM 17933 N N . THR A 1 24 ? -15.561 4.976 -2.525 1.00 0.00 ? ? ? ? ? ? 21 THR A N 12 +ATOM 17934 C CA . THR A 1 24 ? -15.261 5.929 -1.476 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 12 +ATOM 17935 C C . THR A 1 24 ? -14.059 5.465 -0.639 1.00 0.00 ? ? ? ? ? ? 21 THR A C 12 +ATOM 17936 O O . THR A 1 24 ? -13.208 6.273 -0.257 1.00 0.00 ? ? ? ? ? ? 21 THR A O 12 +ATOM 17937 C CB . THR A 1 24 ? -16.489 6.128 -0.565 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 12 +ATOM 17938 O OG1 . THR A 1 24 ? -17.638 6.392 -1.390 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 12 +ATOM 17939 C CG2 . THR A 1 24 ? -16.287 7.304 0.387 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 12 +ATOM 17940 H H . THR A 1 24 ? -16.379 4.440 -2.459 1.00 0.00 ? ? ? ? ? ? 21 THR A H 12 +ATOM 17941 H HA . THR A 1 24 ? -15.022 6.874 -1.939 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 12 +ATOM 17942 H HB . THR A 1 24 ? -16.648 5.225 0.005 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 12 +ATOM 17943 H HG1 . THR A 1 24 ? -17.294 6.570 -2.276 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 12 +ATOM 17944 H HG21 . THR A 1 24 ? -16.132 8.207 -0.185 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 12 +ATOM 17945 H HG22 . THR A 1 24 ? -15.424 7.117 1.009 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 12 +ATOM 17946 H HG23 . THR A 1 24 ? -17.161 7.416 1.011 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 12 +ATOM 17947 N N . VAL A 1 25 ? -13.962 4.165 -0.415 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 12 +ATOM 17948 C CA . VAL A 1 25 ? -12.894 3.618 0.405 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 12 +ATOM 17949 C C . VAL A 1 25 ? -11.557 3.761 -0.315 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 12 +ATOM 17950 O O . VAL A 1 25 ? -10.589 4.295 0.244 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 12 +ATOM 17951 C CB . VAL A 1 25 ? -13.168 2.124 0.732 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 12 +ATOM 17952 C CG1 . VAL A 1 25 ? -12.027 1.512 1.525 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 12 +ATOM 17953 C CG2 . VAL A 1 25 ? -14.481 1.976 1.490 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 12 +ATOM 17954 H H . VAL A 1 25 ? -14.607 3.551 -0.825 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 12 +ATOM 17955 H HA . VAL A 1 25 ? -12.852 4.177 1.328 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 12 +ATOM 17956 H HB . VAL A 1 25 ? -13.256 1.586 -0.201 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 12 +ATOM 17957 H HG11 . VAL A 1 25 ? -11.113 1.585 0.954 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 12 +ATOM 17958 H HG12 . VAL A 1 25 ? -12.243 0.472 1.727 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 12 +ATOM 17959 H HG13 . VAL A 1 25 ? -11.914 2.045 2.458 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 12 +ATOM 17960 H HG21 . VAL A 1 25 ? -15.292 2.353 0.885 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 12 +ATOM 17961 H HG22 . VAL A 1 25 ? -14.430 2.538 2.411 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 12 +ATOM 17962 H HG23 . VAL A 1 25 ? -14.656 0.936 1.719 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 12 +ATOM 17963 N N . ARG A 1 26 ? -11.526 3.363 -1.566 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 12 +ATOM 17964 C CA . ARG A 1 26 ? -10.318 3.476 -2.350 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 12 +ATOM 17965 C C . ARG A 1 26 ? -9.957 4.920 -2.655 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 12 +ATOM 17966 O O . ARG A 1 26 ? -8.797 5.259 -2.708 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 12 +ATOM 17967 C CB . ARG A 1 26 ? -10.331 2.619 -3.600 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 12 +ATOM 17968 C CG . ARG A 1 26 ? -11.545 2.780 -4.460 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 12 +ATOM 17969 C CD . ARG A 1 26 ? -11.297 2.210 -5.814 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 12 +ATOM 17970 N NE . ARG A 1 26 ? -12.544 2.066 -6.577 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 12 +ATOM 17971 C CZ . ARG A 1 26 ? -12.633 1.973 -7.908 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 12 +ATOM 17972 N NH1 . ARG A 1 26 ? -11.559 2.171 -8.673 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 12 +ATOM 17973 N NH2 . ARG A 1 26 ? -13.803 1.706 -8.476 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 12 +ATOM 17974 H H . ARG A 1 26 ? -12.342 2.981 -1.962 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 12 +ATOM 17975 H HA . ARG A 1 26 ? -9.537 3.112 -1.697 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 12 +ATOM 17976 H HB2 . ARG A 1 26 ? -9.459 2.844 -4.198 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 12 +ATOM 17977 H HB3 . ARG A 1 26 ? -10.283 1.586 -3.287 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 12 +ATOM 17978 H HG2 . ARG A 1 26 ? -12.354 2.233 -3.997 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 12 +ATOM 17979 H HG3 . ARG A 1 26 ? -11.824 3.822 -4.535 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 12 +ATOM 17980 H HD2 . ARG A 1 26 ? -10.613 2.899 -6.291 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 12 +ATOM 17981 H HD3 . ARG A 1 26 ? -10.818 1.248 -5.705 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 12 +ATOM 17982 H HE . ARG A 1 26 ? -13.345 1.980 -6.015 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 12 +ATOM 17983 H HH11 . ARG A 1 26 ? -10.661 2.402 -8.293 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 12 +ATOM 17984 H HH12 . ARG A 1 26 ? -11.589 2.092 -9.673 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 12 +ATOM 17985 H HH21 . ARG A 1 26 ? -14.649 1.562 -7.958 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 12 +ATOM 17986 H HH22 . ARG A 1 26 ? -13.895 1.639 -9.475 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 12 +ATOM 17987 N N . GLU A 1 27 ? -10.957 5.758 -2.865 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 12 +ATOM 17988 C CA . GLU A 1 27 ? -10.738 7.181 -3.093 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 12 +ATOM 17989 C C . GLU A 1 27 ? -9.997 7.835 -1.948 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 12 +ATOM 17990 O O . GLU A 1 27 ? -9.082 8.609 -2.163 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 12 +ATOM 17991 C CB . GLU A 1 27 ? -12.044 7.895 -3.366 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 12 +ATOM 17992 C CG . GLU A 1 27 ? -12.482 7.813 -4.816 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 12 +ATOM 17993 C CD . GLU A 1 27 ? -13.861 8.357 -5.038 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 12 +ATOM 17994 O OE1 . GLU A 1 27 ? -14.069 9.574 -4.860 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 12 +ATOM 17995 O OE2 . GLU A 1 27 ? -14.773 7.573 -5.366 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 12 +ATOM 17996 H H . GLU A 1 27 ? -11.882 5.423 -2.889 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 12 +ATOM 17997 H HA . GLU A 1 27 ? -10.121 7.258 -3.976 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 12 +ATOM 17998 H HB2 . GLU A 1 27 ? -12.798 7.402 -2.766 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 12 +ATOM 17999 H HB3 . GLU A 1 27 ? -11.980 8.922 -3.049 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 12 +ATOM 18000 H HG2 . GLU A 1 27 ? -11.789 8.375 -5.423 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 12 +ATOM 18001 H HG3 . GLU A 1 27 ? -12.460 6.777 -5.118 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 12 +ATOM 18002 N N . GLN A 1 28 ? -10.357 7.500 -0.741 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 12 +ATOM 18003 C CA . GLN A 1 28 ? -9.688 8.052 0.405 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 12 +ATOM 18004 C C . GLN A 1 28 ? -8.268 7.477 0.518 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 12 +ATOM 18005 O O . GLN A 1 28 ? -7.317 8.182 0.903 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 12 +ATOM 18006 C CB . GLN A 1 28 ? -10.507 7.796 1.644 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 12 +ATOM 18007 C CG . GLN A 1 28 ? -11.833 8.519 1.657 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 12 +ATOM 18008 C CD . GLN A 1 28 ? -12.727 8.010 2.749 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 12 +ATOM 18009 O OE1 . GLN A 1 28 ? -12.719 8.506 3.878 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 12 +ATOM 18010 N NE2 . GLN A 1 28 ? -13.493 7.019 2.420 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 12 +ATOM 18011 H H . GLN A 1 28 ? -11.089 6.858 -0.605 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 12 +ATOM 18012 H HA . GLN A 1 28 ? -9.607 9.118 0.245 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 12 +ATOM 18013 H HB2 . GLN A 1 28 ? -10.713 6.739 1.702 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 12 +ATOM 18014 H HB3 . GLN A 1 28 ? -9.948 8.109 2.511 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 12 +ATOM 18015 H HG2 . GLN A 1 28 ? -11.657 9.573 1.813 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 12 +ATOM 18016 H HG3 . GLN A 1 28 ? -12.323 8.371 0.707 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 12 +ATOM 18017 H HE21 . GLN A 1 28 ? -13.403 6.719 1.483 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 12 +ATOM 18018 H HE22 . GLN A 1 28 ? -14.102 6.602 3.068 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 12 +ATOM 18019 N N . LEU A 1 29 ? -8.128 6.213 0.144 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 12 +ATOM 18020 C CA . LEU A 1 29 ? -6.835 5.540 0.141 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 12 +ATOM 18021 C C . LEU A 1 29 ? -5.890 6.124 -0.906 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 12 +ATOM 18022 O O . LEU A 1 29 ? -4.708 6.309 -0.628 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 12 +ATOM 18023 C CB . LEU A 1 29 ? -6.987 4.027 -0.062 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 12 +ATOM 18024 C CG . LEU A 1 29 ? -7.587 3.229 1.107 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 12 +ATOM 18025 C CD1 . LEU A 1 29 ? -7.787 1.788 0.699 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 12 +ATOM 18026 C CD2 . LEU A 1 29 ? -6.671 3.291 2.326 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 12 +ATOM 18027 H H . LEU A 1 29 ? -8.924 5.711 -0.131 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 12 +ATOM 18028 H HA . LEU A 1 29 ? -6.391 5.713 1.109 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 12 +ATOM 18029 H HB2 . LEU A 1 29 ? -7.613 3.875 -0.929 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 12 +ATOM 18030 H HB3 . LEU A 1 29 ? -6.008 3.630 -0.285 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 12 +ATOM 18031 H HG . LEU A 1 29 ? -8.554 3.622 1.379 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 12 +ATOM 18032 H HD11 . LEU A 1 29 ? -8.457 1.744 -0.146 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 12 +ATOM 18033 H HD12 . LEU A 1 29 ? -8.210 1.238 1.527 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 12 +ATOM 18034 H HD13 . LEU A 1 29 ? -6.836 1.353 0.428 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 12 +ATOM 18035 H HD21 . LEU A 1 29 ? -6.524 4.316 2.631 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 12 +ATOM 18036 H HD22 . LEU A 1 29 ? -5.714 2.857 2.078 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 12 +ATOM 18037 H HD23 . LEU A 1 29 ? -7.118 2.734 3.135 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 12 +ATOM 18038 N N . LYS A 1 30 ? -6.401 6.419 -2.107 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 12 +ATOM 18039 C CA . LYS A 1 30 ? -5.559 7.001 -3.151 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 12 +ATOM 18040 C C . LYS A 1 30 ? -5.040 8.362 -2.731 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 12 +ATOM 18041 O O . LYS A 1 30 ? -3.917 8.720 -3.040 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 12 +ATOM 18042 C CB . LYS A 1 30 ? -6.277 7.120 -4.487 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 12 +ATOM 18043 C CG . LYS A 1 30 ? -7.306 8.229 -4.571 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 12 +ATOM 18044 C CD . LYS A 1 30 ? -7.717 8.517 -5.993 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 12 +ATOM 18045 C CE . LYS A 1 30 ? -6.558 9.129 -6.773 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 12 +ATOM 18046 N NZ . LYS A 1 30 ? -6.917 9.381 -8.179 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 12 +ATOM 18047 H H . LYS A 1 30 ? -7.336 6.177 -2.309 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 12 +ATOM 18048 H HA . LYS A 1 30 ? -4.709 6.344 -3.267 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 12 +ATOM 18049 H HB2 . LYS A 1 30 ? -5.581 7.178 -5.306 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 12 +ATOM 18050 H HB3 . LYS A 1 30 ? -6.828 6.198 -4.544 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 12 +ATOM 18051 H HG2 . LYS A 1 30 ? -8.166 7.943 -3.986 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 12 +ATOM 18052 H HG3 . LYS A 1 30 ? -6.858 9.109 -4.135 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 12 +ATOM 18053 H HD2 . LYS A 1 30 ? -8.022 7.594 -6.464 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 12 +ATOM 18054 H HD3 . LYS A 1 30 ? -8.545 9.210 -5.991 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 12 +ATOM 18055 H HE2 . LYS A 1 30 ? -6.274 10.053 -6.291 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 12 +ATOM 18056 H HE3 . LYS A 1 30 ? -5.715 8.458 -6.733 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 12 +ATOM 18057 H HZ1 . LYS A 1 30 ? -6.126 9.819 -8.693 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 12 +ATOM 18058 H HZ2 . LYS A 1 30 ? -7.747 10.003 -8.249 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 12 +ATOM 18059 H HZ3 . LYS A 1 30 ? -7.158 8.493 -8.662 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 12 +ATOM 18060 N N . LYS A 1 31 ? -5.878 9.109 -2.031 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 12 +ATOM 18061 C CA . LYS A 1 31 ? -5.490 10.427 -1.502 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 12 +ATOM 18062 C C . LYS A 1 31 ? -4.306 10.260 -0.571 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 12 +ATOM 18063 O O . LYS A 1 31 ? -3.364 11.056 -0.584 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 12 +ATOM 18064 C CB . LYS A 1 31 ? -6.639 11.085 -0.745 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 12 +ATOM 18065 C CG . LYS A 1 31 ? -7.879 11.323 -1.562 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 12 +ATOM 18066 C CD . LYS A 1 31 ? -8.981 11.914 -0.706 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 12 +ATOM 18067 C CE . LYS A 1 31 ? -10.304 11.930 -1.443 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 12 +ATOM 18068 N NZ . LYS A 1 31 ? -10.263 12.762 -2.663 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 12 +ATOM 18069 H H . LYS A 1 31 ? -6.781 8.734 -1.929 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 12 +ATOM 18070 H HA . LYS A 1 31 ? -5.199 11.048 -2.337 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 12 +ATOM 18071 H HB2 . LYS A 1 31 ? -6.920 10.444 0.076 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 12 +ATOM 18072 H HB3 . LYS A 1 31 ? -6.304 12.035 -0.356 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 12 +ATOM 18073 H HG2 . LYS A 1 31 ? -7.646 12.011 -2.361 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 12 +ATOM 18074 H HG3 . LYS A 1 31 ? -8.219 10.385 -1.976 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 12 +ATOM 18075 H HD2 . LYS A 1 31 ? -9.084 11.323 0.191 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 12 +ATOM 18076 H HD3 . LYS A 1 31 ? -8.712 12.925 -0.441 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 12 +ATOM 18077 H HE2 . LYS A 1 31 ? -10.539 10.913 -1.720 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 12 +ATOM 18078 H HE3 . LYS A 1 31 ? -11.064 12.306 -0.775 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 12 +ATOM 18079 H HZ1 . LYS A 1 31 ? -10.079 13.759 -2.428 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 12 +ATOM 18080 H HZ2 . LYS A 1 31 ? -11.175 12.708 -3.159 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 12 +ATOM 18081 H HZ3 . LYS A 1 31 ? -9.526 12.434 -3.318 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 12 +ATOM 18082 N N . LYS A 1 32 ? -4.348 9.183 0.200 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 12 +ATOM 18083 C CA . LYS A 1 32 ? -3.274 8.840 1.103 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 12 +ATOM 18084 C C . LYS A 1 32 ? -2.003 8.508 0.358 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 12 +ATOM 18085 O O . LYS A 1 32 ? -0.916 8.852 0.805 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 12 +ATOM 18086 C CB . LYS A 1 32 ? -3.674 7.727 2.081 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 12 +ATOM 18087 C CG . LYS A 1 32 ? -4.713 8.149 3.108 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 12 +ATOM 18088 C CD . LYS A 1 32 ? -4.158 9.283 3.928 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 12 +ATOM 18089 C CE . LYS A 1 32 ? -5.114 9.810 4.955 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 12 +ATOM 18090 N NZ . LYS A 1 32 ? -4.548 11.011 5.600 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 12 +ATOM 18091 H H . LYS A 1 32 ? -5.144 8.611 0.151 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 12 +ATOM 18092 H HA . LYS A 1 32 ? -3.056 9.733 1.660 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 12 +ATOM 18093 H HB2 . LYS A 1 32 ? -4.063 6.887 1.524 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 12 +ATOM 18094 H HB3 . LYS A 1 32 ? -2.787 7.421 2.613 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 12 +ATOM 18095 H HG2 . LYS A 1 32 ? -5.606 8.477 2.597 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 12 +ATOM 18096 H HG3 . LYS A 1 32 ? -4.940 7.317 3.758 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 12 +ATOM 18097 H HD2 . LYS A 1 32 ? -3.264 8.955 4.434 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 12 +ATOM 18098 H HD3 . LYS A 1 32 ? -3.907 10.095 3.261 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 12 +ATOM 18099 H HE2 . LYS A 1 32 ? -6.051 10.056 4.479 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 12 +ATOM 18100 H HE3 . LYS A 1 32 ? -5.271 9.047 5.704 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 12 +ATOM 18101 H HZ1 . LYS A 1 32 ? -3.717 10.766 6.173 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 12 +ATOM 18102 H HZ2 . LYS A 1 32 ? -5.228 11.518 6.201 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 12 +ATOM 18103 H HZ3 . LYS A 1 32 ? -4.210 11.667 4.860 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 12 +ATOM 18104 N N . LEU A 1 33 ? -2.146 7.873 -0.779 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 12 +ATOM 18105 C CA . LEU A 1 33 ? -1.016 7.565 -1.628 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 12 +ATOM 18106 C C . LEU A 1 33 ? -0.382 8.858 -2.116 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 12 +ATOM 18107 O O . LEU A 1 33 ? 0.828 9.018 -2.075 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 12 +ATOM 18108 C CB . LEU A 1 33 ? -1.460 6.727 -2.829 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 12 +ATOM 18109 C CG . LEU A 1 33 ? -2.197 5.428 -2.510 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 12 +ATOM 18110 C CD1 . LEU A 1 33 ? -2.572 4.702 -3.790 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 12 +ATOM 18111 C CD2 . LEU A 1 33 ? -1.355 4.537 -1.608 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 12 +ATOM 18112 H H . LEU A 1 33 ? -3.046 7.584 -1.041 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 12 +ATOM 18113 H HA . LEU A 1 33 ? -0.298 7.002 -1.050 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 12 +ATOM 18114 H HB2 . LEU A 1 33 ? -2.106 7.342 -3.438 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 12 +ATOM 18115 H HB3 . LEU A 1 33 ? -0.582 6.482 -3.408 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 12 +ATOM 18116 H HG . LEU A 1 33 ? -3.115 5.675 -1.994 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 12 +ATOM 18117 H HD11 . LEU A 1 33 ? -1.678 4.462 -4.345 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 12 +ATOM 18118 H HD12 . LEU A 1 33 ? -3.204 5.335 -4.396 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 12 +ATOM 18119 H HD13 . LEU A 1 33 ? -3.102 3.792 -3.551 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 12 +ATOM 18120 H HD21 . LEU A 1 33 ? -0.406 4.334 -2.077 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 12 +ATOM 18121 H HD22 . LEU A 1 33 ? -1.872 3.604 -1.444 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 12 +ATOM 18122 H HD23 . LEU A 1 33 ? -1.195 5.031 -0.661 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 12 +ATOM 18123 N N . VAL A 1 34 ? -1.226 9.793 -2.517 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 12 +ATOM 18124 C CA . VAL A 1 34 ? -0.783 11.067 -3.053 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 12 +ATOM 18125 C C . VAL A 1 34 ? -0.015 11.889 -2.005 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 12 +ATOM 18126 O O . VAL A 1 34 ? 1.063 12.424 -2.299 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 12 +ATOM 18127 C CB . VAL A 1 34 ? -1.992 11.887 -3.599 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 12 +ATOM 18128 C CG1 . VAL A 1 34 ? -1.563 13.255 -4.091 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 12 +ATOM 18129 C CG2 . VAL A 1 34 ? -2.686 11.126 -4.715 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 12 +ATOM 18130 H H . VAL A 1 34 ? -2.190 9.609 -2.450 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 12 +ATOM 18131 H HA . VAL A 1 34 ? -0.115 10.861 -3.877 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 12 +ATOM 18132 H HB . VAL A 1 34 ? -2.705 12.021 -2.798 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 12 +ATOM 18133 H HG11 . VAL A 1 34 ? -1.104 13.796 -3.276 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 12 +ATOM 18134 H HG12 . VAL A 1 34 ? -2.436 13.793 -4.431 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 12 +ATOM 18135 H HG13 . VAL A 1 34 ? -0.857 13.146 -4.901 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 12 +ATOM 18136 H HG21 . VAL A 1 34 ? -3.048 10.190 -4.315 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 12 +ATOM 18137 H HG22 . VAL A 1 34 ? -1.985 10.935 -5.514 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 12 +ATOM 18138 H HG23 . VAL A 1 34 ? -3.518 11.705 -5.088 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 12 +ATOM 18139 N N . GLU A 1 35 ? -0.536 11.965 -0.789 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 12 +ATOM 18140 C CA . GLU A 1 35 ? 0.149 12.692 0.267 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 12 +ATOM 18141 C C . GLU A 1 35 ? 1.441 11.980 0.704 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 12 +ATOM 18142 O O . GLU A 1 35 ? 2.515 12.606 0.800 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 12 +ATOM 18143 C CB . GLU A 1 35 ? -0.776 12.973 1.467 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 12 +ATOM 18144 C CG . GLU A 1 35 ? -1.434 11.743 2.041 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 12 +ATOM 18145 C CD . GLU A 1 35 ? -2.165 11.989 3.329 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 12 +ATOM 18146 O OE1 . GLU A 1 35 ? -3.355 12.350 3.309 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 12 +ATOM 18147 O OE2 . GLU A 1 35 ? -1.578 11.767 4.401 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 12 +ATOM 18148 H H . GLU A 1 35 ? -1.404 11.545 -0.600 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 12 +ATOM 18149 H HA . GLU A 1 35 ? 0.444 13.636 -0.167 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 12 +ATOM 18150 H HB2 . GLU A 1 35 ? -0.211 13.446 2.256 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 12 +ATOM 18151 H HB3 . GLU A 1 35 ? -1.554 13.642 1.131 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 12 +ATOM 18152 H HG2 . GLU A 1 35 ? -2.146 11.396 1.309 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 12 +ATOM 18153 H HG3 . GLU A 1 35 ? -0.682 10.982 2.197 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 12 +ATOM 18154 N N . VAL A 1 36 ? 1.355 10.664 0.863 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 12 +ATOM 18155 C CA . VAL A 1 36 ? 2.448 9.864 1.385 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 12 +ATOM 18156 C C . VAL A 1 36 ? 3.689 9.902 0.481 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 12 +ATOM 18157 O O . VAL A 1 36 ? 4.787 9.791 0.958 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 12 +ATOM 18158 C CB . VAL A 1 36 ? 2.034 8.407 1.752 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 12 +ATOM 18159 C CG1 . VAL A 1 36 ? 2.037 7.456 0.557 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 12 +ATOM 18160 C CG2 . VAL A 1 36 ? 2.872 7.888 2.903 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 12 +ATOM 18161 H H . VAL A 1 36 ? 0.517 10.204 0.629 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 12 +ATOM 18162 H HA . VAL A 1 36 ? 2.740 10.368 2.295 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 12 +ATOM 18163 H HB . VAL A 1 36 ? 1.011 8.459 2.094 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 12 +ATOM 18164 H HG11 . VAL A 1 36 ? 1.706 6.476 0.865 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 12 +ATOM 18165 H HG12 . VAL A 1 36 ? 3.039 7.387 0.159 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 12 +ATOM 18166 H HG13 . VAL A 1 36 ? 1.378 7.842 -0.207 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 12 +ATOM 18167 H HG21 . VAL A 1 36 ? 2.613 6.860 3.108 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 12 +ATOM 18168 H HG22 . VAL A 1 36 ? 2.680 8.486 3.783 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 12 +ATOM 18169 H HG23 . VAL A 1 36 ? 3.914 7.958 2.640 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 12 +ATOM 18170 N N . LEU A 1 37 ? 3.488 10.074 -0.824 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 12 +ATOM 18171 C CA . LEU A 1 37 ? 4.574 10.090 -1.822 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 12 +ATOM 18172 C C . LEU A 1 37 ? 5.694 11.084 -1.508 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 12 +ATOM 18173 O O . LEU A 1 37 ? 6.824 10.897 -1.978 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 12 +ATOM 18174 C CB . LEU A 1 37 ? 4.041 10.350 -3.236 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 12 +ATOM 18175 C CG . LEU A 1 37 ? 3.208 9.238 -3.869 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 12 +ATOM 18176 C CD1 . LEU A 1 37 ? 2.706 9.662 -5.235 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 12 +ATOM 18177 C CD2 . LEU A 1 37 ? 4.019 7.957 -3.977 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 12 +ATOM 18178 H H . LEU A 1 37 ? 2.566 10.177 -1.140 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 12 +ATOM 18179 H HA . LEU A 1 37 ? 5.015 9.103 -1.815 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 12 +ATOM 18180 H HB2 . LEU A 1 37 ? 3.430 11.241 -3.198 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 12 +ATOM 18181 H HB3 . LEU A 1 37 ? 4.883 10.548 -3.882 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 12 +ATOM 18182 H HG . LEU A 1 37 ? 2.349 9.043 -3.243 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 12 +ATOM 18183 H HD11 . LEU A 1 37 ? 3.546 9.871 -5.880 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 12 +ATOM 18184 H HD12 . LEU A 1 37 ? 2.102 10.552 -5.138 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 12 +ATOM 18185 H HD13 . LEU A 1 37 ? 2.110 8.870 -5.663 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 12 +ATOM 18186 H HD21 . LEU A 1 37 ? 4.928 8.153 -4.527 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 12 +ATOM 18187 H HD22 . LEU A 1 37 ? 3.444 7.219 -4.516 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 12 +ATOM 18188 H HD23 . LEU A 1 37 ? 4.260 7.579 -2.994 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 12 +ATOM 18189 N N . GLU A 1 38 ? 5.404 12.144 -0.754 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 12 +ATOM 18190 C CA . GLU A 1 38 ? 6.454 13.096 -0.425 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 12 +ATOM 18191 C C . GLU A 1 38 ? 7.406 12.528 0.654 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 12 +ATOM 18192 O O . GLU A 1 38 ? 8.583 12.916 0.737 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 12 +ATOM 18193 C CB . GLU A 1 38 ? 5.903 14.477 -0.021 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 12 +ATOM 18194 C CG . GLU A 1 38 ? 5.112 14.532 1.273 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 12 +ATOM 18195 C CD . GLU A 1 38 ? 4.695 15.945 1.609 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 12 +ATOM 18196 O OE1 . GLU A 1 38 ? 5.577 16.798 1.831 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 12 +ATOM 18197 O OE2 . GLU A 1 38 ? 3.489 16.247 1.617 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 12 +ATOM 18198 H H . GLU A 1 38 ? 4.488 12.266 -0.416 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 12 +ATOM 18199 H HA . GLU A 1 38 ? 7.041 13.201 -1.326 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 12 +ATOM 18200 H HB2 . GLU A 1 38 ? 6.732 15.161 0.090 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 12 +ATOM 18201 H HB3 . GLU A 1 38 ? 5.273 14.841 -0.818 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 12 +ATOM 18202 H HG2 . GLU A 1 38 ? 4.227 13.919 1.172 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 12 +ATOM 18203 H HG3 . GLU A 1 38 ? 5.727 14.149 2.075 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 12 +ATOM 18204 N N . SER A 1 39 ? 6.906 11.609 1.460 1.00 0.00 ? ? ? ? ? ? 36 SER A N 12 +ATOM 18205 C CA . SER A 1 39 ? 7.687 10.959 2.508 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 12 +ATOM 18206 C C . SER A 1 39 ? 7.086 9.575 2.807 1.00 0.00 ? ? ? ? ? ? 36 SER A C 12 +ATOM 18207 O O . SER A 1 39 ? 6.378 9.408 3.778 1.00 0.00 ? ? ? ? ? ? 36 SER A O 12 +ATOM 18208 C CB . SER A 1 39 ? 7.673 11.795 3.796 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 12 +ATOM 18209 O OG . SER A 1 39 ? 8.052 13.142 3.552 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 12 +ATOM 18210 H H . SER A 1 39 ? 5.976 11.310 1.341 1.00 0.00 ? ? ? ? ? ? 36 SER A H 12 +ATOM 18211 H HA . SER A 1 39 ? 8.704 10.843 2.163 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 12 +ATOM 18212 H HB2 . SER A 1 39 ? 6.675 11.789 4.211 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 12 +ATOM 18213 H HB3 . SER A 1 39 ? 8.360 11.363 4.509 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 12 +ATOM 18214 H HG . SER A 1 39 ? 8.331 13.190 2.630 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 12 +ATOM 18215 N N . PRO A 1 40 ? 7.277 8.583 1.928 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 12 +ATOM 18216 C CA . PRO A 1 40 ? 6.697 7.255 2.135 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 12 +ATOM 18217 C C . PRO A 1 40 ? 7.504 6.384 3.096 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 12 +ATOM 18218 O O . PRO A 1 40 ? 7.059 5.324 3.506 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 12 +ATOM 18219 C CB . PRO A 1 40 ? 6.688 6.669 0.731 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 12 +ATOM 18220 C CG . PRO A 1 40 ? 7.874 7.282 0.078 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 12 +ATOM 18221 C CD . PRO A 1 40 ? 7.970 8.682 0.625 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 12 +ATOM 18222 H HA . PRO A 1 40 ? 5.687 7.317 2.506 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 12 +ATOM 18223 H HB2 . PRO A 1 40 ? 6.756 5.594 0.781 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 12 +ATOM 18224 H HB3 . PRO A 1 40 ? 5.776 6.950 0.226 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 12 +ATOM 18225 H HG2 . PRO A 1 40 ? 8.760 6.717 0.328 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 12 +ATOM 18226 H HG3 . PRO A 1 40 ? 7.737 7.306 -0.993 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 12 +ATOM 18227 H HD2 . PRO A 1 40 ? 8.998 8.989 0.748 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 12 +ATOM 18228 H HD3 . PRO A 1 40 ? 7.435 9.365 -0.020 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 12 +ATOM 18229 N N . ARG A 1 41 ? 8.663 6.866 3.485 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 12 +ATOM 18230 C CA . ARG A 1 41 ? 9.558 6.133 4.365 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 12 +ATOM 18231 C C . ARG A 1 41 ? 9.289 6.441 5.853 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 12 +ATOM 18232 O O . ARG A 1 41 ? 10.184 6.443 6.674 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 12 +ATOM 18233 C CB . ARG A 1 41 ? 11.044 6.360 3.931 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 12 +ATOM 18234 C CG . ARG A 1 41 ? 11.520 7.824 3.783 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 12 +ATOM 18235 C CD . ARG A 1 41 ? 11.787 8.508 5.118 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 12 +ATOM 18236 N NE . ARG A 1 41 ? 12.830 7.802 5.897 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 12 +ATOM 18237 C CZ . ARG A 1 41 ? 12.938 7.819 7.241 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 12 +ATOM 18238 N NH1 . ARG A 1 41 ? 12.096 8.539 7.979 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 12 +ATOM 18239 N NH2 . ARG A 1 41 ? 13.889 7.107 7.838 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 12 +ATOM 18240 H H . ARG A 1 41 ? 8.910 7.758 3.166 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 12 +ATOM 18241 H HA . ARG A 1 41 ? 9.318 5.089 4.220 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 12 +ATOM 18242 H HB2 . ARG A 1 41 ? 11.683 5.891 4.665 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 12 +ATOM 18243 H HB3 . ARG A 1 41 ? 11.198 5.859 2.986 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 12 +ATOM 18244 H HG2 . ARG A 1 41 ? 12.428 7.839 3.200 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 12 +ATOM 18245 H HG3 . ARG A 1 41 ? 10.757 8.374 3.251 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 12 +ATOM 18246 H HD2 . ARG A 1 41 ? 12.102 9.523 4.931 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 12 +ATOM 18247 H HD3 . ARG A 1 41 ? 10.867 8.517 5.686 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 12 +ATOM 18248 H HE . ARG A 1 41 ? 13.466 7.275 5.363 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 12 +ATOM 18249 H HH11 . ARG A 1 41 ? 11.357 9.086 7.576 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 12 +ATOM 18250 H HH12 . ARG A 1 41 ? 12.170 8.557 8.978 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 12 +ATOM 18251 H HH21 . ARG A 1 41 ? 14.549 6.550 7.330 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 12 +ATOM 18252 H HH22 . ARG A 1 41 ? 13.986 7.070 8.838 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 12 +ATOM 18253 N N . ILE A 1 42 ? 8.033 6.576 6.200 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 12 +ATOM 18254 C CA . ILE A 1 42 ? 7.657 6.914 7.561 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 12 +ATOM 18255 C C . ILE A 1 42 ? 7.675 5.650 8.410 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 12 +ATOM 18256 O O . ILE A 1 42 ? 6.815 4.776 8.271 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 12 +ATOM 18257 C CB . ILE A 1 42 ? 6.251 7.581 7.613 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 12 +ATOM 18258 C CG1 . ILE A 1 42 ? 6.276 8.892 6.827 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 12 +ATOM 18259 C CG2 . ILE A 1 42 ? 5.810 7.833 9.055 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 12 +ATOM 18260 C CD1 . ILE A 1 42 ? 4.942 9.606 6.740 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 12 +ATOM 18261 H H . ILE A 1 42 ? 7.348 6.409 5.519 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 12 +ATOM 18262 H HA . ILE A 1 42 ? 8.393 7.604 7.943 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 12 +ATOM 18263 H HB . ILE A 1 42 ? 5.539 6.915 7.148 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 12 +ATOM 18264 H HG12 . ILE A 1 42 ? 6.970 9.566 7.307 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 12 +ATOM 18265 H HG13 . ILE A 1 42 ? 6.616 8.694 5.821 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 12 +ATOM 18266 H HG21 . ILE A 1 42 ? 4.817 8.259 9.061 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 12 +ATOM 18267 H HG22 . ILE A 1 42 ? 6.496 8.532 9.507 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 12 +ATOM 18268 H HG23 . ILE A 1 42 ? 5.815 6.906 9.610 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 12 +ATOM 18269 H HD11 . ILE A 1 42 ? 4.590 9.838 7.735 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 12 +ATOM 18270 H HD12 . ILE A 1 42 ? 4.228 8.969 6.239 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 12 +ATOM 18271 H HD13 . ILE A 1 42 ? 5.064 10.519 6.177 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 12 +ATOM 18272 N N . GLU A 1 43 ? 8.664 5.569 9.291 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 12 +ATOM 18273 C CA . GLU A 1 43 ? 8.912 4.378 10.098 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 12 +ATOM 18274 C C . GLU A 1 43 ? 7.752 4.015 11.018 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 12 +ATOM 18275 O O . GLU A 1 43 ? 7.574 2.848 11.359 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 12 +ATOM 18276 C CB . GLU A 1 43 ? 10.216 4.486 10.879 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 12 +ATOM 18277 C CG . GLU A 1 43 ? 10.296 5.668 11.817 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 12 +ATOM 18278 C CD . GLU A 1 43 ? 11.563 5.650 12.606 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 12 +ATOM 18279 O OE1 . GLU A 1 43 ? 12.590 6.131 12.104 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 12 +ATOM 18280 O OE2 . GLU A 1 43 ? 11.563 5.121 13.731 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 12 +ATOM 18281 H H . GLU A 1 43 ? 9.258 6.346 9.389 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 12 +ATOM 18282 H HA . GLU A 1 43 ? 9.021 3.576 9.387 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 12 +ATOM 18283 H HB2 . GLU A 1 43 ? 10.339 3.588 11.466 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 12 +ATOM 18284 H HB3 . GLU A 1 43 ? 11.034 4.554 10.176 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 12 +ATOM 18285 H HG2 . GLU A 1 43 ? 10.263 6.577 11.235 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 12 +ATOM 18286 H HG3 . GLU A 1 43 ? 9.457 5.638 12.496 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 12 +ATOM 18287 N N . ALA A 1 44 ? 6.935 5.000 11.370 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 12 +ATOM 18288 C CA . ALA A 1 44 ? 5.766 4.773 12.225 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 12 +ATOM 18289 C C . ALA A 1 44 ? 4.690 3.969 11.489 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 12 +ATOM 18290 O O . ALA A 1 44 ? 3.699 3.550 12.078 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 12 +ATOM 18291 C CB . ALA A 1 44 ? 5.189 6.095 12.702 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 12 +ATOM 18292 H H . ALA A 1 44 ? 7.136 5.907 11.058 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 12 +ATOM 18293 H HA . ALA A 1 44 ? 6.093 4.209 13.086 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 12 +ATOM 18294 H HB1 . ALA A 1 44 ? 4.354 5.908 13.361 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 12 +ATOM 18295 H HB2 . ALA A 1 44 ? 4.854 6.667 11.850 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 12 +ATOM 18296 H HB3 . ALA A 1 44 ? 5.948 6.650 13.233 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 12 +ATOM 18297 N N . ASN A 1 45 ? 4.895 3.763 10.203 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 12 +ATOM 18298 C CA . ASN A 1 45 ? 3.964 3.008 9.394 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 12 +ATOM 18299 C C . ASN A 1 45 ? 4.548 1.666 9.011 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 12 +ATOM 18300 O O . ASN A 1 45 ? 3.923 0.924 8.274 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 12 +ATOM 18301 C CB . ASN A 1 45 ? 3.603 3.763 8.101 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 12 +ATOM 18302 C CG . ASN A 1 45 ? 2.889 5.074 8.317 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 12 +ATOM 18303 O OD1 . ASN A 1 45 ? 2.144 5.255 9.279 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 12 +ATOM 18304 N ND2 . ASN A 1 45 ? 3.115 6.004 7.432 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 12 +ATOM 18305 H H . ASN A 1 45 ? 5.700 4.132 9.778 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 12 +ATOM 18306 H HA . ASN A 1 45 ? 3.060 2.858 9.964 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 12 +ATOM 18307 H HB2 . ASN A 1 45 ? 4.510 3.975 7.556 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 12 +ATOM 18308 H HB3 . ASN A 1 45 ? 2.974 3.126 7.499 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 12 +ATOM 18309 H HD21 . ASN A 1 45 ? 3.727 5.793 6.697 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 12 +ATOM 18310 H HD22 . ASN A 1 45 ? 2.674 6.875 7.523 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 12 +ATOM 18311 N N . LYS A 1 46 ? 5.740 1.340 9.507 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 12 +ATOM 18312 C CA . LYS A 1 46 ? 6.391 0.085 9.114 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 12 +ATOM 18313 C C . LYS A 1 46 ? 5.739 -1.138 9.679 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 12 +ATOM 18314 O O . LYS A 1 46 ? 5.264 -1.151 10.815 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 12 +ATOM 18315 C CB . LYS A 1 46 ? 7.880 0.023 9.476 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 12 +ATOM 18316 C CG . LYS A 1 46 ? 8.782 0.849 8.601 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 12 +ATOM 18317 C CD . LYS A 1 46 ? 10.274 0.699 8.948 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 12 +ATOM 18318 C CE . LYS A 1 46 ? 10.895 -0.664 8.532 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 12 +ATOM 18319 N NZ . LYS A 1 46 ? 10.456 -1.841 9.348 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 12 +ATOM 18320 H H . LYS A 1 46 ? 6.174 1.928 10.164 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 12 +ATOM 18321 H HA . LYS A 1 46 ? 6.320 0.028 8.038 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 12 +ATOM 18322 H HB2 . LYS A 1 46 ? 7.999 0.366 10.493 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 12 +ATOM 18323 H HB3 . LYS A 1 46 ? 8.199 -1.007 9.423 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 12 +ATOM 18324 H HG2 . LYS A 1 46 ? 8.638 0.530 7.579 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 12 +ATOM 18325 H HG3 . LYS A 1 46 ? 8.491 1.883 8.690 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 12 +ATOM 18326 H HD2 . LYS A 1 46 ? 10.820 1.482 8.444 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 12 +ATOM 18327 H HD3 . LYS A 1 46 ? 10.391 0.829 10.014 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 12 +ATOM 18328 H HE2 . LYS A 1 46 ? 10.631 -0.858 7.503 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 12 +ATOM 18329 H HE3 . LYS A 1 46 ? 11.968 -0.571 8.598 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 12 +ATOM 18330 H HZ1 . LYS A 1 46 ? 10.598 -1.665 10.364 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 12 +ATOM 18331 H HZ2 . LYS A 1 46 ? 11.064 -2.657 9.114 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 12 +ATOM 18332 H HZ3 . LYS A 1 46 ? 9.479 -2.150 9.182 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 12 +ATOM 18333 N N . LEU A 1 47 ? 5.716 -2.155 8.863 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 12 +ATOM 18334 C CA . LEU A 1 47 ? 5.367 -3.466 9.295 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 12 +ATOM 18335 C C . LEU A 1 47 ? 6.627 -4.059 9.853 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 12 +ATOM 18336 O O . LEU A 1 47 ? 7.680 -4.042 9.187 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 12 +ATOM 18337 C CB . LEU A 1 47 ? 4.880 -4.327 8.131 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 12 +ATOM 18338 C CG . LEU A 1 47 ? 3.593 -3.896 7.442 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 12 +ATOM 18339 C CD1 . LEU A 1 47 ? 3.301 -4.830 6.291 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 12 +ATOM 18340 C CD2 . LEU A 1 47 ? 2.438 -3.912 8.420 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 12 +ATOM 18341 H H . LEU A 1 47 ? 5.957 -2.009 7.921 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 12 +ATOM 18342 H HA . LEU A 1 47 ? 4.614 -3.407 10.065 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 12 +ATOM 18343 H HB2 . LEU A 1 47 ? 5.662 -4.344 7.386 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 12 +ATOM 18344 H HB3 . LEU A 1 47 ? 4.743 -5.332 8.500 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 12 +ATOM 18345 H HG . LEU A 1 47 ? 3.704 -2.894 7.055 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 12 +ATOM 18346 H HD11 . LEU A 1 47 ? 4.104 -4.777 5.572 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 12 +ATOM 18347 H HD12 . LEU A 1 47 ? 2.369 -4.544 5.823 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 12 +ATOM 18348 H HD13 . LEU A 1 47 ? 3.220 -5.839 6.666 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 12 +ATOM 18349 H HD21 . LEU A 1 47 ? 1.539 -3.582 7.921 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 12 +ATOM 18350 H HD22 . LEU A 1 47 ? 2.663 -3.261 9.252 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 12 +ATOM 18351 H HD23 . LEU A 1 47 ? 2.296 -4.919 8.785 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 12 +ATOM 18352 N N . ARG A 1 48 ? 6.556 -4.523 11.045 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 12 +ATOM 18353 C CA . ARG A 1 48 ? 7.692 -5.065 11.709 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 12 +ATOM 18354 C C . ARG A 1 48 ? 7.842 -6.519 11.341 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 12 +ATOM 18355 O O . ARG A 1 48 ? 6.984 -7.346 11.647 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 12 +ATOM 18356 C CB . ARG A 1 48 ? 7.549 -4.844 13.197 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 12 +ATOM 18357 C CG . ARG A 1 48 ? 7.590 -3.366 13.561 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 12 +ATOM 18358 C CD . ARG A 1 48 ? 7.118 -3.118 14.970 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 12 +ATOM 18359 N NE . ARG A 1 48 ? 5.703 -3.461 15.130 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 12 +ATOM 18360 C CZ . ARG A 1 48 ? 5.028 -3.386 16.269 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 12 +ATOM 18361 N NH1 . ARG A 1 48 ? 5.628 -2.949 17.367 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 12 +ATOM 18362 N NH2 . ARG A 1 48 ? 3.748 -3.720 16.304 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 12 +ATOM 18363 H H . ARG A 1 48 ? 5.693 -4.530 11.511 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 12 +ATOM 18364 H HA . ARG A 1 48 ? 8.558 -4.528 11.355 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 12 +ATOM 18365 H HB2 . ARG A 1 48 ? 6.608 -5.258 13.528 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 12 +ATOM 18366 H HB3 . ARG A 1 48 ? 8.358 -5.345 13.702 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 12 +ATOM 18367 H HG2 . ARG A 1 48 ? 8.606 -3.012 13.471 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 12 +ATOM 18368 H HG3 . ARG A 1 48 ? 6.957 -2.823 12.874 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 12 +ATOM 18369 H HD2 . ARG A 1 48 ? 7.705 -3.716 15.650 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 12 +ATOM 18370 H HD3 . ARG A 1 48 ? 7.248 -2.072 15.204 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 12 +ATOM 18371 H HE . ARG A 1 48 ? 5.257 -3.763 14.305 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 12 +ATOM 18372 H HH11 . ARG A 1 48 ? 6.590 -2.669 17.374 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 12 +ATOM 18373 H HH12 . ARG A 1 48 ? 5.143 -2.866 18.243 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 12 +ATOM 18374 H HH21 . ARG A 1 48 ? 3.251 -4.030 15.489 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 12 +ATOM 18375 H HH22 . ARG A 1 48 ? 3.213 -3.701 17.153 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 12 +ATOM 18376 N N . GLY A 1 49 ? 8.910 -6.812 10.659 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 12 +ATOM 18377 C CA . GLY A 1 49 ? 9.130 -8.133 10.140 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 12 +ATOM 18378 C C . GLY A 1 49 ? 9.144 -8.088 8.635 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 12 +ATOM 18379 O O . GLY A 1 49 ? 9.167 -9.118 7.959 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 12 +ATOM 18380 H H . GLY A 1 49 ? 9.582 -6.113 10.497 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 12 +ATOM 18381 H HA2 . GLY A 1 49 ? 10.075 -8.508 10.504 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 12 +ATOM 18382 H HA3 . GLY A 1 49 ? 8.331 -8.784 10.463 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 12 +ATOM 18383 N N . MET A 1 50 ? 9.093 -6.879 8.114 1.00 0.00 ? ? ? ? ? ? 47 MET A N 12 +ATOM 18384 C CA . MET A 1 50 ? 9.145 -6.625 6.699 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 12 +ATOM 18385 C C . MET A 1 50 ? 10.181 -5.539 6.488 1.00 0.00 ? ? ? ? ? ? 47 MET A C 12 +ATOM 18386 O O . MET A 1 50 ? 10.224 -4.594 7.280 1.00 0.00 ? ? ? ? ? ? 47 MET A O 12 +ATOM 18387 C CB . MET A 1 50 ? 7.779 -6.144 6.177 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 12 +ATOM 18388 C CG . MET A 1 50 ? 6.621 -7.123 6.377 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 12 +ATOM 18389 S SD . MET A 1 50 ? 6.845 -8.710 5.534 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 12 +ATOM 18390 C CE . MET A 1 50 ? 6.898 -8.208 3.814 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 12 +ATOM 18391 H H . MET A 1 50 ? 9.034 -6.098 8.705 1.00 0.00 ? ? ? ? ? ? 47 MET A H 12 +ATOM 18392 H HA . MET A 1 50 ? 9.441 -7.532 6.196 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 12 +ATOM 18393 H HB2 . MET A 1 50 ? 7.529 -5.228 6.691 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 12 +ATOM 18394 H HB3 . MET A 1 50 ? 7.873 -5.934 5.121 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 12 +ATOM 18395 H HG2 . MET A 1 50 ? 6.514 -7.317 7.434 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 12 +ATOM 18396 H HG3 . MET A 1 50 ? 5.715 -6.663 6.010 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 12 +ATOM 18397 H HE1 . MET A 1 50 ? 7.025 -9.081 3.190 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 12 +ATOM 18398 H HE2 . MET A 1 50 ? 7.726 -7.534 3.657 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 12 +ATOM 18399 H HE3 . MET A 1 50 ? 5.974 -7.713 3.557 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 12 +ATOM 18400 N N . PRO A 1 51 ? 11.026 -5.650 5.433 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 12 +ATOM 18401 C CA . PRO A 1 51 ? 12.124 -4.693 5.166 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 12 +ATOM 18402 C C . PRO A 1 51 ? 11.649 -3.238 5.155 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 12 +ATOM 18403 O O . PRO A 1 51 ? 11.909 -2.475 6.087 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 12 +ATOM 18404 C CB . PRO A 1 51 ? 12.652 -5.115 3.778 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 12 +ATOM 18405 C CG . PRO A 1 51 ? 11.622 -6.057 3.232 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 12 +ATOM 18406 C CD . PRO A 1 51 ? 10.989 -6.714 4.420 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 12 +ATOM 18407 H HA . PRO A 1 51 ? 12.909 -4.788 5.902 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 12 +ATOM 18408 H HB2 . PRO A 1 51 ? 12.751 -4.240 3.155 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 12 +ATOM 18409 H HB3 . PRO A 1 51 ? 13.614 -5.596 3.882 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 12 +ATOM 18410 H HG2 . PRO A 1 51 ? 10.881 -5.501 2.677 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 12 +ATOM 18411 H HG3 . PRO A 1 51 ? 12.092 -6.793 2.598 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 12 +ATOM 18412 H HD2 . PRO A 1 51 ? 9.973 -7.000 4.192 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 12 +ATOM 18413 H HD3 . PRO A 1 51 ? 11.560 -7.573 4.741 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 12 +ATOM 18414 N N . ASP A 1 52 ? 10.926 -2.880 4.128 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 12 +ATOM 18415 C CA . ASP A 1 52 ? 10.341 -1.568 4.018 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 12 +ATOM 18416 C C . ASP A 1 52 ? 8.956 -1.688 3.499 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 12 +ATOM 18417 O O . ASP A 1 52 ? 8.709 -1.543 2.304 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 12 +ATOM 18418 C CB . ASP A 1 52 ? 11.143 -0.587 3.144 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 12 +ATOM 18419 C CG . ASP A 1 52 ? 12.399 -0.066 3.790 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 12 +ATOM 18420 O OD1 . ASP A 1 52 ? 12.306 0.768 4.715 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 12 +ATOM 18421 O OD2 . ASP A 1 52 ? 13.506 -0.421 3.343 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 12 +ATOM 18422 H H . ASP A 1 52 ? 10.774 -3.531 3.413 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 12 +ATOM 18423 H HA . ASP A 1 52 ? 10.282 -1.173 5.021 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 12 +ATOM 18424 H HB2 . ASP A 1 52 ? 11.422 -1.079 2.223 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 12 +ATOM 18425 H HB3 . ASP A 1 52 ? 10.504 0.252 2.912 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 12 +ATOM 18426 N N . CYS A 1 53 ? 8.067 -2.059 4.362 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 12 +ATOM 18427 C CA . CYS A 1 53 ? 6.692 -2.148 4.023 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 12 +ATOM 18428 C C . CYS A 1 53 ? 5.942 -1.346 5.028 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 12 +ATOM 18429 O O . CYS A 1 53 ? 6.298 -1.346 6.216 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 12 +ATOM 18430 C CB . CYS A 1 53 ? 6.240 -3.604 4.014 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 12 +ATOM 18431 S SG . CYS A 1 53 ? 7.207 -4.641 2.892 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 12 +ATOM 18432 H H . CYS A 1 53 ? 8.312 -2.263 5.288 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 12 +ATOM 18433 H HA . CYS A 1 53 ? 6.551 -1.715 3.044 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 12 +ATOM 18434 H HB2 . CYS A 1 53 ? 6.333 -4.011 5.011 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 12 +ATOM 18435 H HB3 . CYS A 1 53 ? 5.207 -3.654 3.703 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 12 +ATOM 18436 H HG . CYS A 1 53 ? 7.735 -3.796 2.017 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 12 +ATOM 18437 N N . TYR A 1 54 ? 4.945 -0.664 4.580 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 12 +ATOM 18438 C CA . TYR A 1 54 ? 4.220 0.247 5.410 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 12 +ATOM 18439 C C . TYR A 1 54 ? 2.757 0.022 5.205 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 12 +ATOM 18440 O O . TYR A 1 54 ? 2.348 -0.492 4.149 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 12 +ATOM 18441 C CB . TYR A 1 54 ? 4.562 1.704 5.031 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 12 +ATOM 18442 C CG . TYR A 1 54 ? 6.047 2.017 4.982 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 12 +ATOM 18443 C CD1 . TYR A 1 54 ? 6.774 1.778 3.833 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 12 +ATOM 18444 C CD2 . TYR A 1 54 ? 6.716 2.539 6.070 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 12 +ATOM 18445 C CE1 . TYR A 1 54 ? 8.110 2.044 3.769 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 12 +ATOM 18446 C CE2 . TYR A 1 54 ? 8.073 2.815 6.007 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 12 +ATOM 18447 C CZ . TYR A 1 54 ? 8.759 2.564 4.846 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 12 +ATOM 18448 O OH . TYR A 1 54 ? 10.112 2.819 4.766 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 12 +ATOM 18449 H H . TYR A 1 54 ? 4.656 -0.771 3.644 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 12 +ATOM 18450 H HA . TYR A 1 54 ? 4.484 0.084 6.443 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 12 +ATOM 18451 H HB2 . TYR A 1 54 ? 4.149 1.915 4.057 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 12 +ATOM 18452 H HB3 . TYR A 1 54 ? 4.104 2.367 5.750 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 12 +ATOM 18453 H HD1 . TYR A 1 54 ? 6.267 1.368 2.971 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 12 +ATOM 18454 H HD2 . TYR A 1 54 ? 6.171 2.732 6.983 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 12 +ATOM 18455 H HE1 . TYR A 1 54 ? 8.644 1.842 2.854 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 12 +ATOM 18456 H HE2 . TYR A 1 54 ? 8.582 3.227 6.866 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 12 +ATOM 18457 H HH . TYR A 1 54 ? 10.581 2.297 5.428 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 12 +ATOM 18458 N N . LYS A 1 55 ? 1.977 0.376 6.183 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 12 +ATOM 18459 C CA . LYS A 1 55 ? 0.560 0.250 6.070 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 12 +ATOM 18460 C C . LYS A 1 55 ? -0.103 1.572 6.376 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 12 +ATOM 18461 O O . LYS A 1 55 ? 0.314 2.301 7.289 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 12 +ATOM 18462 C CB . LYS A 1 55 ? -0.029 -0.891 6.966 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 12 +ATOM 18463 C CG . LYS A 1 55 ? -0.033 -0.674 8.505 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 12 +ATOM 18464 C CD . LYS A 1 55 ? 1.364 -0.561 9.097 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 12 +ATOM 18465 C CE . LYS A 1 55 ? 1.346 -0.503 10.621 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 12 +ATOM 18466 N NZ . LYS A 1 55 ? 0.587 0.659 11.140 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 12 +ATOM 18467 H H . LYS A 1 55 ? 2.373 0.751 7.000 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 12 +ATOM 18468 H HA . LYS A 1 55 ? 0.356 0.012 5.036 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 12 +ATOM 18469 H HB2 . LYS A 1 55 ? -1.052 -1.059 6.665 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 12 +ATOM 18470 H HB3 . LYS A 1 55 ? 0.530 -1.791 6.756 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 12 +ATOM 18471 H HG2 . LYS A 1 55 ? -0.565 0.240 8.722 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 12 +ATOM 18472 H HG3 . LYS A 1 55 ? -0.549 -1.503 8.968 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 12 +ATOM 18473 H HD2 . LYS A 1 55 ? 1.951 -1.409 8.781 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 12 +ATOM 18474 H HD3 . LYS A 1 55 ? 1.820 0.343 8.722 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 12 +ATOM 18475 H HE2 . LYS A 1 55 ? 0.891 -1.408 10.996 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 12 +ATOM 18476 H HE3 . LYS A 1 55 ? 2.365 -0.445 10.973 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 12 +ATOM 18477 H HZ1 . LYS A 1 55 ? -0.406 0.631 10.839 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 12 +ATOM 18478 H HZ2 . LYS A 1 55 ? 0.999 1.566 10.843 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 12 +ATOM 18479 H HZ3 . LYS A 1 55 ? 0.600 0.643 12.180 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 12 +ATOM 18480 N N . ILE A 1 56 ? -1.106 1.877 5.618 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 12 +ATOM 18481 C CA . ILE A 1 56 ? -1.896 3.055 5.830 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 12 +ATOM 18482 C C . ILE A 1 56 ? -3.231 2.594 6.349 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 12 +ATOM 18483 O O . ILE A 1 56 ? -3.726 1.555 5.927 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 12 +ATOM 18484 C CB . ILE A 1 56 ? -2.100 3.884 4.517 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 12 +ATOM 18485 C CG1 . ILE A 1 56 ? -0.744 4.306 3.930 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 12 +ATOM 18486 C CG2 . ILE A 1 56 ? -2.979 5.122 4.777 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 12 +ATOM 18487 C CD1 . ILE A 1 56 ? -0.847 5.180 2.692 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 12 +ATOM 18488 H H . ILE A 1 56 ? -1.324 1.271 4.873 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 12 +ATOM 18489 H HA . ILE A 1 56 ? -1.410 3.665 6.576 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 12 +ATOM 18490 H HB . ILE A 1 56 ? -2.612 3.257 3.803 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 12 +ATOM 18491 H HG12 . ILE A 1 56 ? -0.184 4.848 4.676 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 12 +ATOM 18492 H HG13 . ILE A 1 56 ? -0.192 3.417 3.664 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 12 +ATOM 18493 H HG21 . ILE A 1 56 ? -2.503 5.762 5.505 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 12 +ATOM 18494 H HG22 . ILE A 1 56 ? -3.940 4.810 5.156 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 12 +ATOM 18495 H HG23 . ILE A 1 56 ? -3.118 5.666 3.855 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 12 +ATOM 18496 H HD11 . ILE A 1 56 ? 0.137 5.497 2.381 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 12 +ATOM 18497 H HD12 . ILE A 1 56 ? -1.436 6.050 2.932 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 12 +ATOM 18498 H HD13 . ILE A 1 56 ? -1.323 4.629 1.893 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 12 +ATOM 18499 N N . LYS A 1 57 ? -3.789 3.332 7.256 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 12 +ATOM 18500 C CA . LYS A 1 57 ? -5.041 2.992 7.852 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 12 +ATOM 18501 C C . LYS A 1 57 ? -6.031 4.070 7.509 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 12 +ATOM 18502 O O . LYS A 1 57 ? -5.734 5.268 7.644 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 12 +ATOM 18503 C CB . LYS A 1 57 ? -4.945 2.764 9.396 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 12 +ATOM 18504 C CG . LYS A 1 57 ? -4.386 3.937 10.212 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 12 +ATOM 18505 C CD . LYS A 1 57 ? -2.872 4.072 10.077 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 12 +ATOM 18506 C CE . LYS A 1 57 ? -2.399 5.405 10.590 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 12 +ATOM 18507 N NZ . LYS A 1 57 ? -2.608 5.557 12.040 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 12 +ATOM 18508 H H . LYS A 1 57 ? -3.381 4.188 7.492 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 12 +ATOM 18509 H HA . LYS A 1 57 ? -5.360 2.079 7.376 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 12 +ATOM 18510 H HB2 . LYS A 1 57 ? -5.932 2.545 9.772 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 12 +ATOM 18511 H HB3 . LYS A 1 57 ? -4.320 1.902 9.571 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 12 +ATOM 18512 H HG2 . LYS A 1 57 ? -4.842 4.850 9.862 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 12 +ATOM 18513 H HG3 . LYS A 1 57 ? -4.637 3.787 11.251 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 12 +ATOM 18514 H HD2 . LYS A 1 57 ? -2.412 3.299 10.676 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 12 +ATOM 18515 H HD3 . LYS A 1 57 ? -2.559 3.951 9.053 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 12 +ATOM 18516 H HE2 . LYS A 1 57 ? -1.354 5.515 10.348 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 12 +ATOM 18517 H HE3 . LYS A 1 57 ? -2.972 6.155 10.063 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 12 +ATOM 18518 H HZ1 . LYS A 1 57 ? -3.603 5.391 12.288 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 12 +ATOM 18519 H HZ2 . LYS A 1 57 ? -2.359 6.523 12.335 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 12 +ATOM 18520 H HZ3 . LYS A 1 57 ? -2.010 4.889 12.566 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 12 +ATOM 18521 N N . LEU A 1 58 ? -7.155 3.669 7.016 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 12 +ATOM 18522 C CA . LEU A 1 58 ? -8.156 4.598 6.602 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 12 +ATOM 18523 C C . LEU A 1 58 ? -8.946 5.054 7.819 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 12 +ATOM 18524 O O . LEU A 1 58 ? -9.189 4.261 8.736 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 12 +ATOM 18525 C CB . LEU A 1 58 ? -9.066 3.945 5.561 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 12 +ATOM 18526 C CG . LEU A 1 58 ? -9.862 4.893 4.676 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 12 +ATOM 18527 C CD1 . LEU A 1 58 ? -8.913 5.766 3.890 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 12 +ATOM 18528 C CD2 . LEU A 1 58 ? -10.759 4.115 3.739 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 12 +ATOM 18529 H H . LEU A 1 58 ? -7.322 2.706 6.917 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 12 +ATOM 18530 H HA . LEU A 1 58 ? -7.659 5.448 6.161 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 12 +ATOM 18531 H HB2 . LEU A 1 58 ? -8.454 3.324 4.925 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 12 +ATOM 18532 H HB3 . LEU A 1 58 ? -9.765 3.308 6.083 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 12 +ATOM 18533 H HG . LEU A 1 58 ? -10.479 5.547 5.273 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 12 +ATOM 18534 H HD11 . LEU A 1 58 ? -9.492 6.386 3.226 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 12 +ATOM 18535 H HD12 . LEU A 1 58 ? -8.244 5.148 3.311 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 12 +ATOM 18536 H HD13 . LEU A 1 58 ? -8.345 6.397 4.556 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 12 +ATOM 18537 H HD21 . LEU A 1 58 ? -11.447 3.513 4.314 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 12 +ATOM 18538 H HD22 . LEU A 1 58 ? -10.157 3.473 3.113 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 12 +ATOM 18539 H HD23 . LEU A 1 58 ? -11.316 4.801 3.118 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 12 +ATOM 18540 N N . ARG A 1 59 ? -9.337 6.320 7.833 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 12 +ATOM 18541 C CA . ARG A 1 59 ? -10.042 6.895 8.972 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 12 +ATOM 18542 C C . ARG A 1 59 ? -11.463 6.375 8.995 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 12 +ATOM 18543 O O . ARG A 1 59 ? -12.034 6.125 10.057 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 12 +ATOM 18544 C CB . ARG A 1 59 ? -10.043 8.426 8.890 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 12 +ATOM 18545 C CG . ARG A 1 59 ? -8.657 9.045 8.779 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 12 +ATOM 18546 C CD . ARG A 1 59 ? -7.845 8.877 10.055 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 12 +ATOM 18547 N NE . ARG A 1 59 ? -8.367 9.707 11.153 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 12 +ATOM 18548 C CZ . ARG A 1 59 ? -7.659 10.090 12.226 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 12 +ATOM 18549 N NH1 . ARG A 1 59 ? -6.445 9.584 12.448 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 12 +ATOM 18550 N NH2 . ARG A 1 59 ? -8.179 10.954 13.087 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 12 +ATOM 18551 H H . ARG A 1 59 ? -9.171 6.875 7.041 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 12 +ATOM 18552 H HA . ARG A 1 59 ? -9.541 6.584 9.876 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 12 +ATOM 18553 H HB2 . ARG A 1 59 ? -10.634 8.745 8.045 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 12 +ATOM 18554 H HB3 . ARG A 1 59 ? -10.505 8.805 9.790 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 12 +ATOM 18555 H HG2 . ARG A 1 59 ? -8.125 8.569 7.967 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 12 +ATOM 18556 H HG3 . ARG A 1 59 ? -8.764 10.099 8.567 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 12 +ATOM 18557 H HD2 . ARG A 1 59 ? -7.870 7.840 10.354 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 12 +ATOM 18558 H HD3 . ARG A 1 59 ? -6.825 9.167 9.853 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 12 +ATOM 18559 H HE . ARG A 1 59 ? -9.291 10.030 11.034 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 12 +ATOM 18560 H HH11 . ARG A 1 59 ? -6.036 8.911 11.832 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 12 +ATOM 18561 H HH12 . ARG A 1 59 ? -5.875 9.877 13.224 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 12 +ATOM 18562 H HH21 . ARG A 1 59 ? -9.100 11.335 12.960 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 12 +ATOM 18563 H HH22 . ARG A 1 59 ? -7.671 11.299 13.884 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 12 +ATOM 18564 N N . SER A 1 60 ? -12.019 6.215 7.827 1.00 0.00 ? ? ? ? ? ? 57 SER A N 12 +ATOM 18565 C CA . SER A 1 60 ? -13.333 5.681 7.675 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 12 +ATOM 18566 C C . SER A 1 60 ? -13.245 4.196 7.302 1.00 0.00 ? ? ? ? ? ? 57 SER A C 12 +ATOM 18567 O O . SER A 1 60 ? -12.238 3.756 6.729 1.00 0.00 ? ? ? ? ? ? 57 SER A O 12 +ATOM 18568 C CB . SER A 1 60 ? -14.073 6.472 6.595 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 12 +ATOM 18569 O OG . SER A 1 60 ? -14.104 7.866 6.922 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 12 +ATOM 18570 H H . SER A 1 60 ? -11.519 6.469 7.021 1.00 0.00 ? ? ? ? ? ? 57 SER A H 12 +ATOM 18571 H HA . SER A 1 60 ? -13.858 5.789 8.611 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 12 +ATOM 18572 H HB2 . SER A 1 60 ? -13.567 6.346 5.650 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 12 +ATOM 18573 H HB3 . SER A 1 60 ? -15.087 6.109 6.516 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 12 +ATOM 18574 H HG . SER A 1 60 ? -14.286 7.904 7.871 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 12 +ATOM 18575 N N . SER A 1 61 ? -14.251 3.424 7.705 1.00 0.00 ? ? ? ? ? ? 58 SER A N 12 +ATOM 18576 C CA . SER A 1 61 ? -14.403 2.000 7.366 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 12 +ATOM 18577 C C . SER A 1 61 ? -13.395 1.050 8.084 1.00 0.00 ? ? ? ? ? ? 58 SER A C 12 +ATOM 18578 O O . SER A 1 61 ? -13.786 -0.010 8.582 1.00 0.00 ? ? ? ? ? ? 58 SER A O 12 +ATOM 18579 C CB . SER A 1 61 ? -14.390 1.807 5.844 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 12 +ATOM 18580 O OG . SER A 1 61 ? -15.371 2.636 5.233 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 12 +ATOM 18581 H H . SER A 1 61 ? -14.948 3.820 8.271 1.00 0.00 ? ? ? ? ? ? 58 SER A H 12 +ATOM 18582 H HA . SER A 1 61 ? -15.384 1.724 7.722 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 12 +ATOM 18583 H HB2 . SER A 1 61 ? -13.418 2.077 5.458 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 12 +ATOM 18584 H HB3 . SER A 1 61 ? -14.606 0.776 5.608 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 12 +ATOM 18585 H HG . SER A 1 61 ? -16.172 2.576 5.769 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 12 +ATOM 18586 N N . GLY A 1 62 ? -12.132 1.423 8.147 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 12 +ATOM 18587 C CA . GLY A 1 62 ? -11.147 0.583 8.812 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 12 +ATOM 18588 C C . GLY A 1 62 ? -10.363 -0.284 7.842 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 12 +ATOM 18589 O O . GLY A 1 62 ? -10.014 -1.434 8.144 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 12 +ATOM 18590 H H . GLY A 1 62 ? -11.878 2.286 7.747 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 12 +ATOM 18591 H HA2 . GLY A 1 62 ? -10.455 1.211 9.354 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 12 +ATOM 18592 H HA3 . GLY A 1 62 ? -11.661 -0.059 9.510 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 12 +ATOM 18593 N N . TYR A 1 63 ? -10.102 0.248 6.679 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 12 +ATOM 18594 C CA . TYR A 1 63 ? -9.315 -0.453 5.691 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 12 +ATOM 18595 C C . TYR A 1 63 ? -7.865 -0.064 5.809 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 12 +ATOM 18596 O O . TYR A 1 63 ? -7.541 1.002 6.331 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 12 +ATOM 18597 C CB . TYR A 1 63 ? -9.834 -0.210 4.272 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 12 +ATOM 18598 C CG . TYR A 1 63 ? -11.081 -0.997 3.921 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 12 +ATOM 18599 C CD1 . TYR A 1 63 ? -12.325 -0.648 4.422 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 12 +ATOM 18600 C CD2 . TYR A 1 63 ? -11.005 -2.087 3.068 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 12 +ATOM 18601 C CE1 . TYR A 1 63 ? -13.456 -1.366 4.085 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 12 +ATOM 18602 C CE2 . TYR A 1 63 ? -12.128 -2.811 2.727 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 12 +ATOM 18603 C CZ . TYR A 1 63 ? -13.350 -2.446 3.239 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 12 +ATOM 18604 O OH . TYR A 1 63 ? -14.477 -3.163 2.897 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 12 +ATOM 18605 H H . TYR A 1 63 ? -10.424 1.151 6.483 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 12 +ATOM 18606 H HA . TYR A 1 63 ? -9.396 -1.507 5.916 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 12 +ATOM 18607 H HB2 . TYR A 1 63 ? -10.065 0.839 4.159 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 12 +ATOM 18608 H HB3 . TYR A 1 63 ? -9.060 -0.474 3.565 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 12 +ATOM 18609 H HD1 . TYR A 1 63 ? -12.400 0.197 5.088 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 12 +ATOM 18610 H HD2 . TYR A 1 63 ? -10.042 -2.371 2.671 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 12 +ATOM 18611 H HE1 . TYR A 1 63 ? -14.418 -1.082 4.485 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 12 +ATOM 18612 H HE2 . TYR A 1 63 ? -12.047 -3.659 2.064 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 12 +ATOM 18613 H HH . TYR A 1 63 ? -15.165 -2.518 2.697 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 12 +ATOM 18614 N N . ARG A 1 64 ? -7.006 -0.930 5.356 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 12 +ATOM 18615 C CA . ARG A 1 64 ? -5.587 -0.719 5.410 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 12 +ATOM 18616 C C . ARG A 1 64 ? -4.998 -0.971 4.030 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 12 +ATOM 18617 O O . ARG A 1 64 ? -5.537 -1.761 3.246 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 12 +ATOM 18618 C CB . ARG A 1 64 ? -4.877 -1.656 6.423 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 12 +ATOM 18619 C CG . ARG A 1 64 ? -5.200 -1.493 7.928 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 12 +ATOM 18620 C CD . ARG A 1 64 ? -6.601 -1.970 8.310 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 12 +ATOM 18621 N NE . ARG A 1 64 ? -6.720 -2.178 9.758 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 12 +ATOM 18622 C CZ . ARG A 1 64 ? -7.526 -3.090 10.325 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 12 +ATOM 18623 N NH1 . ARG A 1 64 ? -8.637 -3.483 9.694 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 12 +ATOM 18624 N NH2 . ARG A 1 64 ? -7.291 -3.500 11.570 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 12 +ATOM 18625 H H . ARG A 1 64 ? -7.319 -1.752 4.914 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 12 +ATOM 18626 H HA . ARG A 1 64 ? -5.408 0.309 5.692 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 12 +ATOM 18627 H HB2 . ARG A 1 64 ? -5.131 -2.671 6.155 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 12 +ATOM 18628 H HB3 . ARG A 1 64 ? -3.812 -1.537 6.292 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 12 +ATOM 18629 H HG2 . ARG A 1 64 ? -4.482 -2.064 8.498 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 12 +ATOM 18630 H HG3 . ARG A 1 64 ? -5.099 -0.449 8.186 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 12 +ATOM 18631 H HD2 . ARG A 1 64 ? -7.323 -1.231 7.997 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 12 +ATOM 18632 H HD3 . ARG A 1 64 ? -6.802 -2.904 7.805 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 12 +ATOM 18633 H HE . ARG A 1 64 ? -6.046 -1.683 10.280 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 12 +ATOM 18634 H HH11 . ARG A 1 64 ? -8.895 -3.093 8.806 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 12 +ATOM 18635 H HH12 . ARG A 1 64 ? -9.254 -4.173 10.085 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 12 +ATOM 18636 H HH21 . ARG A 1 64 ? -6.531 -3.128 12.108 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 12 +ATOM 18637 H HH22 . ARG A 1 64 ? -7.809 -4.244 12.016 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 12 +ATOM 18638 N N . LEU A 1 65 ? -3.927 -0.318 3.736 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 12 +ATOM 18639 C CA . LEU A 1 65 ? -3.244 -0.496 2.483 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 12 +ATOM 18640 C C . LEU A 1 65 ? -1.784 -0.773 2.794 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 12 +ATOM 18641 O O . LEU A 1 65 ? -1.189 -0.063 3.596 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 12 +ATOM 18642 C CB . LEU A 1 65 ? -3.450 0.761 1.602 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 12 +ATOM 18643 C CG . LEU A 1 65 ? -2.917 0.733 0.155 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 12 +ATOM 18644 C CD1 . LEU A 1 65 ? -3.593 1.807 -0.658 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 12 +ATOM 18645 C CD2 . LEU A 1 65 ? -1.428 0.975 0.118 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 12 +ATOM 18646 H H . LEU A 1 65 ? -3.568 0.319 4.394 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 12 +ATOM 18647 H HA . LEU A 1 65 ? -3.663 -1.361 1.992 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 12 +ATOM 18648 H HB2 . LEU A 1 65 ? -4.512 0.957 1.556 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 12 +ATOM 18649 H HB3 . LEU A 1 65 ? -2.985 1.590 2.114 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 12 +ATOM 18650 H HG . LEU A 1 65 ? -3.123 -0.227 -0.295 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 12 +ATOM 18651 H HD11 . LEU A 1 65 ? -4.655 1.613 -0.686 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 12 +ATOM 18652 H HD12 . LEU A 1 65 ? -3.185 1.794 -1.659 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 12 +ATOM 18653 H HD13 . LEU A 1 65 ? -3.411 2.767 -0.200 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 12 +ATOM 18654 H HD21 . LEU A 1 65 ? -0.923 0.201 0.675 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 12 +ATOM 18655 H HD22 . LEU A 1 65 ? -1.225 1.937 0.567 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 12 +ATOM 18656 H HD23 . LEU A 1 65 ? -1.085 0.972 -0.907 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 12 +ATOM 18657 N N . VAL A 1 66 ? -1.228 -1.807 2.185 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 12 +ATOM 18658 C CA . VAL A 1 66 ? 0.135 -2.230 2.460 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 12 +ATOM 18659 C C . VAL A 1 66 ? 0.999 -2.132 1.208 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 12 +ATOM 18660 O O . VAL A 1 66 ? 0.681 -2.723 0.153 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 12 +ATOM 18661 C CB . VAL A 1 66 ? 0.170 -3.680 3.018 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 12 +ATOM 18662 C CG1 . VAL A 1 66 ? 1.599 -4.159 3.254 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 12 +ATOM 18663 C CG2 . VAL A 1 66 ? -0.630 -3.770 4.304 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 12 +ATOM 18664 H H . VAL A 1 66 ? -1.720 -2.308 1.496 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 12 +ATOM 18665 H HA . VAL A 1 66 ? 0.534 -1.564 3.212 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 12 +ATOM 18666 H HB . VAL A 1 66 ? -0.291 -4.331 2.289 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 12 +ATOM 18667 H HG11 . VAL A 1 66 ? 1.579 -5.154 3.675 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 12 +ATOM 18668 H HG12 . VAL A 1 66 ? 2.097 -3.490 3.941 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 12 +ATOM 18669 H HG13 . VAL A 1 66 ? 2.133 -4.178 2.315 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 12 +ATOM 18670 H HG21 . VAL A 1 66 ? -1.666 -3.535 4.111 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 12 +ATOM 18671 H HG22 . VAL A 1 66 ? -0.231 -3.067 5.021 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 12 +ATOM 18672 H HG23 . VAL A 1 66 ? -0.550 -4.769 4.702 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 12 +ATOM 18673 N N . TYR A 1 67 ? 2.076 -1.408 1.321 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 12 +ATOM 18674 C CA . TYR A 1 67 ? 2.974 -1.196 0.219 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 12 +ATOM 18675 C C . TYR A 1 67 ? 4.415 -1.305 0.666 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 12 +ATOM 18676 O O . TYR A 1 67 ? 4.711 -1.192 1.858 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 12 +ATOM 18677 C CB . TYR A 1 67 ? 2.716 0.173 -0.458 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 12 +ATOM 18678 C CG . TYR A 1 67 ? 2.826 1.397 0.441 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 12 +ATOM 18679 C CD1 . TYR A 1 67 ? 4.035 1.797 1.005 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 12 +ATOM 18680 C CD2 . TYR A 1 67 ? 1.715 2.150 0.711 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 12 +ATOM 18681 C CE1 . TYR A 1 67 ? 4.110 2.906 1.809 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 12 +ATOM 18682 C CE2 . TYR A 1 67 ? 1.780 3.255 1.510 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 12 +ATOM 18683 C CZ . TYR A 1 67 ? 2.980 3.632 2.061 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 12 +ATOM 18684 O OH . TYR A 1 67 ? 3.044 4.730 2.875 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 12 +ATOM 18685 H H . TYR A 1 67 ? 2.290 -1.008 2.196 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 12 +ATOM 18686 H HA . TYR A 1 67 ? 2.785 -1.973 -0.507 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 12 +ATOM 18687 H HB2 . TYR A 1 67 ? 3.391 0.314 -1.286 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 12 +ATOM 18688 H HB3 . TYR A 1 67 ? 1.709 0.157 -0.849 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 12 +ATOM 18689 H HD1 . TYR A 1 67 ? 4.925 1.219 0.802 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 12 +ATOM 18690 H HD2 . TYR A 1 67 ? 0.773 1.852 0.278 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 12 +ATOM 18691 H HE1 . TYR A 1 67 ? 5.055 3.204 2.240 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 12 +ATOM 18692 H HE2 . TYR A 1 67 ? 0.877 3.819 1.686 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 12 +ATOM 18693 H HH . TYR A 1 67 ? 3.840 5.221 2.657 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 12 +ATOM 18694 N N . GLN A 1 68 ? 5.286 -1.556 -0.264 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 12 +ATOM 18695 C CA . GLN A 1 68 ? 6.701 -1.548 -0.008 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 12 +ATOM 18696 C C . GLN A 1 68 ? 7.306 -0.383 -0.745 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 12 +ATOM 18697 O O . GLN A 1 68 ? 6.871 -0.060 -1.853 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 12 +ATOM 18698 C CB . GLN A 1 68 ? 7.391 -2.849 -0.450 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 12 +ATOM 18699 C CG . GLN A 1 68 ? 7.221 -3.185 -1.929 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 12 +ATOM 18700 C CD . GLN A 1 68 ? 8.110 -4.320 -2.403 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 12 +ATOM 18701 O OE1 . GLN A 1 68 ? 7.740 -5.082 -3.288 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 12 +ATOM 18702 N NE2 . GLN A 1 68 ? 9.313 -4.403 -1.881 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 12 +ATOM 18703 H H . GLN A 1 68 ? 4.971 -1.719 -1.185 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 12 +ATOM 18704 H HA . GLN A 1 68 ? 6.851 -1.399 1.051 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 12 +ATOM 18705 H HB2 . GLN A 1 68 ? 8.445 -2.756 -0.241 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 12 +ATOM 18706 H HB3 . GLN A 1 68 ? 6.992 -3.665 0.135 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 12 +ATOM 18707 H HG2 . GLN A 1 68 ? 6.191 -3.458 -2.108 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 12 +ATOM 18708 H HG3 . GLN A 1 68 ? 7.456 -2.299 -2.501 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 12 +ATOM 18709 H HE21 . GLN A 1 68 ? 9.601 -3.745 -1.215 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 12 +ATOM 18710 H HE22 . GLN A 1 68 ? 9.896 -5.125 -2.201 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 12 +ATOM 18711 N N . VAL A 1 69 ? 8.249 0.280 -0.160 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 12 +ATOM 18712 C CA . VAL A 1 69 ? 8.883 1.341 -0.876 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 12 +ATOM 18713 C C . VAL A 1 69 ? 10.196 0.849 -1.391 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 12 +ATOM 18714 O O . VAL A 1 69 ? 11.005 0.280 -0.654 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 12 +ATOM 18715 C CB . VAL A 1 69 ? 9.051 2.680 -0.077 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 12 +ATOM 18716 C CG1 . VAL A 1 69 ? 7.739 3.142 0.512 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 12 +ATOM 18717 C CG2 . VAL A 1 69 ? 10.163 2.633 0.975 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 12 +ATOM 18718 H H . VAL A 1 69 ? 8.557 0.031 0.739 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 12 +ATOM 18719 H HA . VAL A 1 69 ? 8.258 1.523 -1.739 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 12 +ATOM 18720 H HB . VAL A 1 69 ? 9.315 3.427 -0.814 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 12 +ATOM 18721 H HG11 . VAL A 1 69 ? 7.912 4.021 1.115 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 12 +ATOM 18722 H HG12 . VAL A 1 69 ? 7.321 2.353 1.120 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 12 +ATOM 18723 H HG13 . VAL A 1 69 ? 7.044 3.378 -0.280 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 12 +ATOM 18724 H HG21 . VAL A 1 69 ? 10.119 3.510 1.604 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 12 +ATOM 18725 H HG22 . VAL A 1 69 ? 11.112 2.628 0.458 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 12 +ATOM 18726 H HG23 . VAL A 1 69 ? 10.090 1.734 1.564 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 12 +ATOM 18727 N N . ILE A 1 70 ? 10.371 0.950 -2.648 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 12 +ATOM 18728 C CA . ILE A 1 70 ? 11.600 0.603 -3.211 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 12 +ATOM 18729 C C . ILE A 1 70 ? 12.329 1.900 -3.428 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 12 +ATOM 18730 O O . ILE A 1 70 ? 12.117 2.582 -4.431 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 12 +ATOM 18731 C CB . ILE A 1 70 ? 11.432 -0.158 -4.546 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 12 +ATOM 18732 C CG1 . ILE A 1 70 ? 10.447 -1.329 -4.368 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 12 +ATOM 18733 C CG2 . ILE A 1 70 ? 12.783 -0.683 -5.002 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 12 +ATOM 18734 C CD1 . ILE A 1 70 ? 10.127 -2.076 -5.646 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 12 +ATOM 18735 H H . ILE A 1 70 ? 9.658 1.293 -3.235 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 12 +ATOM 18736 H HA . ILE A 1 70 ? 12.146 -0.006 -2.505 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 12 +ATOM 18737 H HB . ILE A 1 70 ? 11.045 0.519 -5.293 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 12 +ATOM 18738 H HG12 . ILE A 1 70 ? 10.869 -2.040 -3.672 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 12 +ATOM 18739 H HG13 . ILE A 1 70 ? 9.523 -0.948 -3.961 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 12 +ATOM 18740 H HG21 . ILE A 1 70 ? 13.185 -1.349 -4.253 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 12 +ATOM 18741 H HG22 . ILE A 1 70 ? 13.460 0.146 -5.147 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 12 +ATOM 18742 H HG23 . ILE A 1 70 ? 12.662 -1.219 -5.932 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 12 +ATOM 18743 H HD11 . ILE A 1 70 ? 9.436 -2.879 -5.432 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 12 +ATOM 18744 H HD12 . ILE A 1 70 ? 11.039 -2.482 -6.058 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 12 +ATOM 18745 H HD13 . ILE A 1 70 ? 9.681 -1.396 -6.357 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 12 +ATOM 18746 N N . ASP A 1 71 ? 13.153 2.263 -2.475 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 12 +ATOM 18747 C CA . ASP A 1 71 ? 13.891 3.532 -2.516 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 12 +ATOM 18748 C C . ASP A 1 71 ? 14.962 3.458 -3.576 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 12 +ATOM 18749 O O . ASP A 1 71 ? 15.385 4.460 -4.143 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 12 +ATOM 18750 C CB . ASP A 1 71 ? 14.485 3.849 -1.136 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 12 +ATOM 18751 C CG . ASP A 1 71 ? 15.260 5.151 -1.088 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 12 +ATOM 18752 O OD1 . ASP A 1 71 ? 14.649 6.237 -1.200 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 12 +ATOM 18753 O OD2 . ASP A 1 71 ? 16.489 5.116 -0.883 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 12 +ATOM 18754 H H . ASP A 1 71 ? 13.274 1.660 -1.706 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 12 +ATOM 18755 H HA . ASP A 1 71 ? 13.194 4.309 -2.794 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 12 +ATOM 18756 H HB2 . ASP A 1 71 ? 13.683 3.915 -0.418 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 12 +ATOM 18757 H HB3 . ASP A 1 71 ? 15.148 3.045 -0.851 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 12 +ATOM 18758 N N . GLU A 1 72 ? 15.342 2.235 -3.874 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 12 +ATOM 18759 C CA . GLU A 1 72 ? 16.297 1.917 -4.916 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 12 +ATOM 18760 C C . GLU A 1 72 ? 15.750 2.348 -6.291 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 12 +ATOM 18761 O O . GLU A 1 72 ? 16.483 2.839 -7.133 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 12 +ATOM 18762 C CB . GLU A 1 72 ? 16.547 0.412 -4.905 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 12 +ATOM 18763 C CG . GLU A 1 72 ? 17.049 -0.115 -3.568 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 12 +ATOM 18764 C CD . GLU A 1 72 ? 17.131 -1.623 -3.515 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 12 +ATOM 18765 O OE1 . GLU A 1 72 ? 18.084 -2.197 -4.070 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 12 +ATOM 18766 O OE2 . GLU A 1 72 ? 16.259 -2.265 -2.867 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 12 +ATOM 18767 H H . GLU A 1 72 ? 14.970 1.508 -3.333 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 12 +ATOM 18768 H HA . GLU A 1 72 ? 17.224 2.430 -4.709 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 12 +ATOM 18769 H HB2 . GLU A 1 72 ? 15.621 -0.090 -5.138 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 12 +ATOM 18770 H HB3 . GLU A 1 72 ? 17.277 0.173 -5.662 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 12 +ATOM 18771 H HG2 . GLU A 1 72 ? 18.036 0.284 -3.386 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 12 +ATOM 18772 H HG3 . GLU A 1 72 ? 16.381 0.224 -2.791 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 12 +ATOM 18773 N N . LYS A 1 73 ? 14.445 2.199 -6.481 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 12 +ATOM 18774 C CA . LYS A 1 73 ? 13.808 2.538 -7.753 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 12 +ATOM 18775 C C . LYS A 1 73 ? 12.978 3.821 -7.640 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 12 +ATOM 18776 O O . LYS A 1 73 ? 12.428 4.300 -8.634 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 12 +ATOM 18777 C CB . LYS A 1 73 ? 12.914 1.391 -8.224 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 12 +ATOM 18778 C CG . LYS A 1 73 ? 13.634 0.099 -8.553 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 12 +ATOM 18779 C CD . LYS A 1 73 ? 12.636 -0.986 -8.931 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 12 +ATOM 18780 C CE . LYS A 1 73 ? 13.320 -2.301 -9.244 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 12 +ATOM 18781 N NZ . LYS A 1 73 ? 12.349 -3.364 -9.561 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 12 +ATOM 18782 H H . LYS A 1 73 ? 13.893 1.856 -5.749 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 12 +ATOM 18783 H HA . LYS A 1 73 ? 14.589 2.690 -8.483 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 12 +ATOM 18784 H HB2 . LYS A 1 73 ? 12.229 1.164 -7.420 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 12 +ATOM 18785 H HB3 . LYS A 1 73 ? 12.352 1.706 -9.090 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 12 +ATOM 18786 H HG2 . LYS A 1 73 ? 14.308 0.274 -9.380 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 12 +ATOM 18787 H HG3 . LYS A 1 73 ? 14.196 -0.219 -7.688 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 12 +ATOM 18788 H HD2 . LYS A 1 73 ? 11.953 -1.138 -8.108 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 12 +ATOM 18789 H HD3 . LYS A 1 73 ? 12.082 -0.660 -9.800 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 12 +ATOM 18790 H HE2 . LYS A 1 73 ? 13.978 -2.165 -10.090 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 12 +ATOM 18791 H HE3 . LYS A 1 73 ? 13.904 -2.609 -8.391 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 12 +ATOM 18792 H HZ1 . LYS A 1 73 ? 12.834 -4.263 -9.752 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 12 +ATOM 18793 H HZ2 . LYS A 1 73 ? 11.774 -3.109 -10.387 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 12 +ATOM 18794 H HZ3 . LYS A 1 73 ? 11.690 -3.520 -8.769 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 12 +ATOM 18795 N N . VAL A 1 74 ? 12.891 4.365 -6.418 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 12 +ATOM 18796 C CA . VAL A 1 74 ? 12.127 5.600 -6.115 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 12 +ATOM 18797 C C . VAL A 1 74 ? 10.602 5.359 -6.398 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 12 +ATOM 18798 O O . VAL A 1 74 ? 9.846 6.255 -6.774 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 12 +ATOM 18799 C CB . VAL A 1 74 ? 12.696 6.845 -6.923 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 12 +ATOM 18800 C CG1 . VAL A 1 74 ? 12.067 8.165 -6.471 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 12 +ATOM 18801 C CG2 . VAL A 1 74 ? 14.216 6.929 -6.789 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 12 +ATOM 18802 H H . VAL A 1 74 ? 13.358 3.920 -5.681 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 12 +ATOM 18803 H HA . VAL A 1 74 ? 12.236 5.773 -5.053 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 12 +ATOM 18804 H HB . VAL A 1 74 ? 12.457 6.700 -7.967 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 12 +ATOM 18805 H HG11 . VAL A 1 74 ? 12.269 8.322 -5.421 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 12 +ATOM 18806 H HG12 . VAL A 1 74 ? 11.000 8.126 -6.630 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 12 +ATOM 18807 H HG13 . VAL A 1 74 ? 12.488 8.979 -7.045 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 12 +ATOM 18808 H HG21 . VAL A 1 74 ? 14.662 6.026 -7.177 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 12 +ATOM 18809 H HG22 . VAL A 1 74 ? 14.477 7.042 -5.747 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 12 +ATOM 18810 H HG23 . VAL A 1 74 ? 14.581 7.781 -7.344 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 12 +ATOM 18811 N N . VAL A 1 75 ? 10.155 4.148 -6.133 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 12 +ATOM 18812 C CA . VAL A 1 75 ? 8.773 3.784 -6.385 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 12 +ATOM 18813 C C . VAL A 1 75 ? 8.168 3.078 -5.169 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 12 +ATOM 18814 O O . VAL A 1 75 ? 8.832 2.292 -4.486 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 12 +ATOM 18815 C CB . VAL A 1 75 ? 8.625 2.897 -7.678 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 12 +ATOM 18816 C CG1 . VAL A 1 75 ? 9.365 1.582 -7.553 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 12 +ATOM 18817 C CG2 . VAL A 1 75 ? 7.163 2.651 -8.036 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 12 +ATOM 18818 H H . VAL A 1 75 ? 10.757 3.489 -5.725 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 12 +ATOM 18819 H HA . VAL A 1 75 ? 8.216 4.700 -6.535 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 12 +ATOM 18820 H HB . VAL A 1 75 ? 9.083 3.440 -8.492 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 12 +ATOM 18821 H HG11 . VAL A 1 75 ? 9.263 1.018 -8.468 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 12 +ATOM 18822 H HG12 . VAL A 1 75 ? 8.954 1.020 -6.727 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 12 +ATOM 18823 H HG13 . VAL A 1 75 ? 10.407 1.792 -7.367 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 12 +ATOM 18824 H HG21 . VAL A 1 75 ? 7.107 2.048 -8.931 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 12 +ATOM 18825 H HG22 . VAL A 1 75 ? 6.658 3.590 -8.199 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 12 +ATOM 18826 H HG23 . VAL A 1 75 ? 6.684 2.126 -7.223 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 12 +ATOM 18827 N N . VAL A 1 76 ? 6.953 3.418 -4.882 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 12 +ATOM 18828 C CA . VAL A 1 76 ? 6.180 2.826 -3.838 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 12 +ATOM 18829 C C . VAL A 1 76 ? 5.288 1.784 -4.489 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 12 +ATOM 18830 O O . VAL A 1 76 ? 4.433 2.118 -5.308 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 12 +ATOM 18831 C CB . VAL A 1 76 ? 5.308 3.899 -3.143 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 12 +ATOM 18832 C CG1 . VAL A 1 76 ? 4.472 3.304 -2.040 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 12 +ATOM 18833 C CG2 . VAL A 1 76 ? 6.170 5.030 -2.607 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 12 +ATOM 18834 H H . VAL A 1 76 ? 6.511 4.111 -5.418 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 12 +ATOM 18835 H HA . VAL A 1 76 ? 6.838 2.365 -3.118 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 12 +ATOM 18836 H HB . VAL A 1 76 ? 4.644 4.313 -3.886 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 12 +ATOM 18837 H HG11 . VAL A 1 76 ? 5.116 2.852 -1.300 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 12 +ATOM 18838 H HG12 . VAL A 1 76 ? 3.816 2.554 -2.456 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 12 +ATOM 18839 H HG13 . VAL A 1 76 ? 3.882 4.081 -1.578 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 12 +ATOM 18840 H HG21 . VAL A 1 76 ? 6.683 5.503 -3.430 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 12 +ATOM 18841 H HG22 . VAL A 1 76 ? 6.896 4.639 -1.910 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 12 +ATOM 18842 H HG23 . VAL A 1 76 ? 5.545 5.757 -2.109 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 12 +ATOM 18843 N N . PHE A 1 77 ? 5.500 0.555 -4.153 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 12 +ATOM 18844 C CA . PHE A 1 77 ? 4.808 -0.542 -4.773 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 12 +ATOM 18845 C C . PHE A 1 77 ? 3.763 -1.111 -3.823 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 12 +ATOM 18846 O O . PHE A 1 77 ? 4.103 -1.695 -2.787 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 12 +ATOM 18847 C CB . PHE A 1 77 ? 5.847 -1.603 -5.171 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 12 +ATOM 18848 C CG . PHE A 1 77 ? 5.309 -2.831 -5.846 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 12 +ATOM 18849 C CD1 . PHE A 1 77 ? 4.903 -2.789 -7.164 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 12 +ATOM 18850 C CD2 . PHE A 1 77 ? 5.233 -4.035 -5.165 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 12 +ATOM 18851 C CE1 . PHE A 1 77 ? 4.430 -3.920 -7.790 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 12 +ATOM 18852 C CE2 . PHE A 1 77 ? 4.766 -5.169 -5.786 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 12 +ATOM 18853 C CZ . PHE A 1 77 ? 4.364 -5.112 -7.102 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 12 +ATOM 18854 H H . PHE A 1 77 ? 6.140 0.356 -3.431 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 12 +ATOM 18855 H HA . PHE A 1 77 ? 4.326 -0.180 -5.669 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 12 +ATOM 18856 H HB2 . PHE A 1 77 ? 6.560 -1.156 -5.845 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 12 +ATOM 18857 H HB3 . PHE A 1 77 ? 6.371 -1.914 -4.279 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 12 +ATOM 18858 H HD1 . PHE A 1 77 ? 4.955 -1.857 -7.707 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 12 +ATOM 18859 H HD2 . PHE A 1 77 ? 5.546 -4.081 -4.133 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 12 +ATOM 18860 H HE1 . PHE A 1 77 ? 4.114 -3.874 -8.821 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 12 +ATOM 18861 H HE2 . PHE A 1 77 ? 4.711 -6.102 -5.244 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 12 +ATOM 18862 H HZ . PHE A 1 77 ? 3.998 -5.999 -7.594 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 12 +ATOM 18863 N N . VAL A 1 78 ? 2.501 -0.905 -4.152 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 12 +ATOM 18864 C CA . VAL A 1 78 ? 1.404 -1.422 -3.355 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 12 +ATOM 18865 C C . VAL A 1 78 ? 1.270 -2.907 -3.614 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 12 +ATOM 18866 O O . VAL A 1 78 ? 1.086 -3.337 -4.762 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 12 +ATOM 18867 C CB . VAL A 1 78 ? 0.059 -0.700 -3.662 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 12 +ATOM 18868 C CG1 . VAL A 1 78 ? -1.081 -1.245 -2.794 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 12 +ATOM 18869 C CG2 . VAL A 1 78 ? 0.202 0.804 -3.465 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 12 +ATOM 18870 H H . VAL A 1 78 ? 2.304 -0.389 -4.966 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 12 +ATOM 18871 H HA . VAL A 1 78 ? 1.659 -1.280 -2.316 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 12 +ATOM 18872 H HB . VAL A 1 78 ? -0.190 -0.883 -4.697 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 12 +ATOM 18873 H HG11 . VAL A 1 78 ? -1.213 -2.299 -2.992 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 12 +ATOM 18874 H HG12 . VAL A 1 78 ? -2.001 -0.723 -3.018 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 12 +ATOM 18875 H HG13 . VAL A 1 78 ? -0.843 -1.107 -1.750 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 12 +ATOM 18876 H HG21 . VAL A 1 78 ? -0.741 1.285 -3.678 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 12 +ATOM 18877 H HG22 . VAL A 1 78 ? 0.959 1.186 -4.134 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 12 +ATOM 18878 H HG23 . VAL A 1 78 ? 0.489 1.009 -2.445 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 12 +ATOM 18879 N N . ILE A 1 79 ? 1.375 -3.681 -2.564 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 12 +ATOM 18880 C CA . ILE A 1 79 ? 1.352 -5.116 -2.681 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 12 +ATOM 18881 C C . ILE A 1 79 ? -0.054 -5.632 -2.431 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 12 +ATOM 18882 O O . ILE A 1 79 ? -0.548 -6.507 -3.138 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 12 +ATOM 18883 C CB . ILE A 1 79 ? 2.296 -5.764 -1.635 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 12 +ATOM 18884 C CG1 . ILE A 1 79 ? 3.693 -5.138 -1.710 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 12 +ATOM 18885 C CG2 . ILE A 1 79 ? 2.382 -7.277 -1.856 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 12 +ATOM 18886 C CD1 . ILE A 1 79 ? 4.627 -5.606 -0.616 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 12 +ATOM 18887 H H . ILE A 1 79 ? 1.464 -3.272 -1.675 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 12 +ATOM 18888 H HA . ILE A 1 79 ? 1.684 -5.399 -3.668 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 12 +ATOM 18889 H HB . ILE A 1 79 ? 1.886 -5.590 -0.651 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 12 +ATOM 18890 H HG12 . ILE A 1 79 ? 4.143 -5.387 -2.659 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 12 +ATOM 18891 H HG13 . ILE A 1 79 ? 3.602 -4.064 -1.636 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 12 +ATOM 18892 H HG21 . ILE A 1 79 ? 2.767 -7.474 -2.845 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 12 +ATOM 18893 H HG22 . ILE A 1 79 ? 1.399 -7.709 -1.755 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 12 +ATOM 18894 H HG23 . ILE A 1 79 ? 3.043 -7.705 -1.118 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 12 +ATOM 18895 H HD11 . ILE A 1 79 ? 4.728 -6.680 -0.671 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 12 +ATOM 18896 H HD12 . ILE A 1 79 ? 4.222 -5.329 0.347 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 12 +ATOM 18897 H HD13 . ILE A 1 79 ? 5.593 -5.144 -0.747 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 12 +ATOM 18898 N N . SER A 1 80 ? -0.705 -5.086 -1.434 1.00 0.00 ? ? ? ? ? ? 77 SER A N 12 +ATOM 18899 C CA . SER A 1 80 ? -2.019 -5.532 -1.057 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 12 +ATOM 18900 C C . SER A 1 80 ? -2.794 -4.388 -0.434 1.00 0.00 ? ? ? ? ? ? 77 SER A C 12 +ATOM 18901 O O . SER A 1 80 ? -2.208 -3.452 0.115 1.00 0.00 ? ? ? ? ? ? 77 SER A O 12 +ATOM 18902 C CB . SER A 1 80 ? -1.912 -6.707 -0.073 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 12 +ATOM 18903 O OG . SER A 1 80 ? -1.188 -7.784 -0.648 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 12 +ATOM 18904 H H . SER A 1 80 ? -0.316 -4.345 -0.920 1.00 0.00 ? ? ? ? ? ? 77 SER A H 12 +ATOM 18905 H HA . SER A 1 80 ? -2.534 -5.867 -1.945 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 12 +ATOM 18906 H HB2 . SER A 1 80 ? -1.398 -6.381 0.819 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 12 +ATOM 18907 H HB3 . SER A 1 80 ? -2.902 -7.051 0.188 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 12 +ATOM 18908 H HG . SER A 1 80 ? -0.938 -7.523 -1.544 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 12 +ATOM 18909 N N . VAL A 1 81 ? -4.084 -4.458 -0.526 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 12 +ATOM 18910 C CA . VAL A 1 81 ? -4.951 -3.444 -0.001 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 12 +ATOM 18911 C C . VAL A 1 81 ? -6.262 -4.102 0.427 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 12 +ATOM 18912 O O . VAL A 1 81 ? -6.727 -5.041 -0.228 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 12 +ATOM 18913 C CB . VAL A 1 81 ? -5.182 -2.303 -1.053 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 12 +ATOM 18914 C CG1 . VAL A 1 81 ? -5.816 -2.815 -2.333 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 12 +ATOM 18915 C CG2 . VAL A 1 81 ? -5.985 -1.161 -0.473 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 12 +ATOM 18916 H H . VAL A 1 81 ? -4.506 -5.237 -0.942 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 12 +ATOM 18917 H HA . VAL A 1 81 ? -4.471 -3.030 0.875 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 12 +ATOM 18918 H HB . VAL A 1 81 ? -4.206 -1.922 -1.323 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 12 +ATOM 18919 H HG11 . VAL A 1 81 ? -5.173 -3.559 -2.780 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 12 +ATOM 18920 H HG12 . VAL A 1 81 ? -5.949 -1.995 -3.024 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 12 +ATOM 18921 H HG13 . VAL A 1 81 ? -6.776 -3.256 -2.110 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 12 +ATOM 18922 H HG21 . VAL A 1 81 ? -5.452 -0.754 0.373 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 12 +ATOM 18923 H HG22 . VAL A 1 81 ? -6.958 -1.516 -0.167 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 12 +ATOM 18924 H HG23 . VAL A 1 81 ? -6.091 -0.394 -1.226 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 12 +ATOM 18925 N N . GLY A 1 82 ? -6.808 -3.682 1.539 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 12 +ATOM 18926 C CA . GLY A 1 82 ? -8.041 -4.248 2.007 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 12 +ATOM 18927 C C . GLY A 1 82 ? -8.097 -4.257 3.501 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 12 +ATOM 18928 O O . GLY A 1 82 ? -7.705 -3.293 4.144 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 12 +ATOM 18929 H H . GLY A 1 82 ? -6.374 -2.980 2.080 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 12 +ATOM 18930 H HA2 . GLY A 1 82 ? -8.873 -3.681 1.615 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 12 +ATOM 18931 H HA3 . GLY A 1 82 ? -8.104 -5.266 1.656 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 12 +ATOM 18932 N N . LYS A 1 83 ? -8.569 -5.316 4.070 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 12 +ATOM 18933 C CA . LYS A 1 83 ? -8.615 -5.398 5.500 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 12 +ATOM 18934 C C . LYS A 1 83 ? -7.437 -6.200 6.019 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 12 +ATOM 18935 O O . LYS A 1 83 ? -7.483 -7.421 6.084 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 12 +ATOM 18936 C CB . LYS A 1 83 ? -9.949 -5.969 5.991 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 12 +ATOM 18937 C CG . LYS A 1 83 ? -11.158 -5.153 5.541 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 12 +ATOM 18938 C CD . LYS A 1 83 ? -12.462 -5.665 6.141 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 12 +ATOM 18939 C CE . LYS A 1 83 ? -12.760 -7.107 5.751 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 12 +ATOM 18940 N NZ . LYS A 1 83 ? -14.029 -7.583 6.334 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 12 +ATOM 18941 H H . LYS A 1 83 ? -8.901 -6.064 3.528 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 12 +ATOM 18942 H HA . LYS A 1 83 ? -8.512 -4.387 5.869 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 12 +ATOM 18943 H HB2 . LYS A 1 83 ? -10.048 -6.972 5.608 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 12 +ATOM 18944 H HB3 . LYS A 1 83 ? -9.940 -6.000 7.071 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 12 +ATOM 18945 H HG2 . LYS A 1 83 ? -11.019 -4.126 5.842 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 12 +ATOM 18946 H HG3 . LYS A 1 83 ? -11.222 -5.200 4.464 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 12 +ATOM 18947 H HD2 . LYS A 1 83 ? -12.381 -5.610 7.216 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 12 +ATOM 18948 H HD3 . LYS A 1 83 ? -13.273 -5.032 5.811 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 12 +ATOM 18949 H HE2 . LYS A 1 83 ? -12.821 -7.173 4.675 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 12 +ATOM 18950 H HE3 . LYS A 1 83 ? -11.955 -7.733 6.103 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 12 +ATOM 18951 H HZ1 . LYS A 1 83 ? -14.201 -8.582 6.107 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 12 +ATOM 18952 H HZ2 . LYS A 1 83 ? -14.845 -7.036 6.000 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 12 +ATOM 18953 H HZ3 . LYS A 1 83 ? -14.016 -7.505 7.372 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 12 +ATOM 18954 N N . ALA A 1 84 ? -6.367 -5.507 6.313 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 12 +ATOM 18955 C CA . ALA A 1 84 ? -5.181 -6.120 6.862 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 12 +ATOM 18956 C C . ALA A 1 84 ? -5.318 -6.171 8.359 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 12 +ATOM 18957 O O . ALA A 1 84 ? -5.554 -5.144 8.988 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 12 +ATOM 18958 C CB . ALA A 1 84 ? -3.955 -5.309 6.488 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 12 +ATOM 18959 H H . ALA A 1 84 ? -6.376 -4.542 6.155 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 12 +ATOM 18960 H HA . ALA A 1 84 ? -5.081 -7.118 6.465 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 12 +ATOM 18961 H HB1 . ALA A 1 84 ? -3.883 -5.235 5.413 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 12 +ATOM 18962 H HB2 . ALA A 1 84 ? -3.073 -5.798 6.873 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 12 +ATOM 18963 H HB3 . ALA A 1 84 ? -4.030 -4.319 6.913 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 12 +ATOM 18964 N N . GLU A 1 85 ? -5.180 -7.326 8.932 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 12 +ATOM 18965 C CA . GLU A 1 85 ? -5.344 -7.449 10.358 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 12 +ATOM 18966 C C . GLU A 1 85 ? -4.231 -8.293 10.957 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 12 +ATOM 18967 O O . GLU A 1 85 ? -3.721 -7.981 12.038 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 12 +ATOM 18968 C CB . GLU A 1 85 ? -6.738 -8.020 10.686 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 12 +ATOM 18969 C CG . GLU A 1 85 ? -7.085 -8.103 12.175 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 12 +ATOM 18970 C CD . GLU A 1 85 ? -7.056 -6.760 12.890 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 12 +ATOM 18971 O OE1 . GLU A 1 85 ? -7.970 -5.927 12.665 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 12 +ATOM 18972 O OE2 . GLU A 1 85 ? -6.150 -6.534 13.722 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 12 +ATOM 18973 H H . GLU A 1 85 ? -4.947 -8.121 8.396 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 12 +ATOM 18974 H HA . GLU A 1 85 ? -5.272 -6.457 10.774 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 12 +ATOM 18975 H HB2 . GLU A 1 85 ? -7.481 -7.401 10.206 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 12 +ATOM 18976 H HB3 . GLU A 1 85 ? -6.799 -9.013 10.267 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 12 +ATOM 18977 H HG2 . GLU A 1 85 ? -8.083 -8.504 12.268 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 12 +ATOM 18978 H HG3 . GLU A 1 85 ? -6.386 -8.771 12.656 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 12 +ATOM 18979 N N . ALA A 1 86 ? -3.811 -9.322 10.251 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 12 +ATOM 18980 C CA . ALA A 1 86 ? -2.798 -10.195 10.791 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 12 +ATOM 18981 C C . ALA A 1 86 ? -1.863 -10.773 9.730 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 12 +ATOM 18982 O O . ALA A 1 86 ? -0.735 -10.304 9.574 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 12 +ATOM 18983 C CB . ALA A 1 86 ? -3.419 -11.295 11.652 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 12 +ATOM 18984 H H . ALA A 1 86 ? -4.158 -9.480 9.342 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 12 +ATOM 18985 H HA . ALA A 1 86 ? -2.193 -9.582 11.446 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 12 +ATOM 18986 H HB1 . ALA A 1 86 ? -4.046 -10.847 12.408 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 12 +ATOM 18987 H HB2 . ALA A 1 86 ? -2.640 -11.877 12.121 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 12 +ATOM 18988 H HB3 . ALA A 1 86 ? -4.018 -11.941 11.030 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 12 +ATOM 18989 N N . SER A 1 87 ? -2.306 -11.764 8.985 1.00 0.00 ? ? ? ? ? ? 84 SER A N 12 +ATOM 18990 C CA . SER A 1 87 ? -1.392 -12.439 8.084 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 12 +ATOM 18991 C C . SER A 1 87 ? -1.770 -12.317 6.598 1.00 0.00 ? ? ? ? ? ? 84 SER A C 12 +ATOM 18992 O O . SER A 1 87 ? -0.927 -12.558 5.745 1.00 0.00 ? ? ? ? ? ? 84 SER A O 12 +ATOM 18993 C CB . SER A 1 87 ? -1.239 -13.919 8.506 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 12 +ATOM 18994 O OG . SER A 1 87 ? -0.200 -14.575 7.787 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 12 +ATOM 18995 H H . SER A 1 87 ? -3.237 -12.071 9.062 1.00 0.00 ? ? ? ? ? ? 84 SER A H 12 +ATOM 18996 H HA . SER A 1 87 ? -0.428 -11.970 8.214 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 12 +ATOM 18997 H HB2 . SER A 1 87 ? -1.009 -13.970 9.559 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 12 +ATOM 18998 H HB3 . SER A 1 87 ? -2.169 -14.438 8.323 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 12 +ATOM 18999 H HG . SER A 1 87 ? -0.469 -14.680 6.865 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 12 +ATOM 19000 N N . GLU A 1 88 ? -2.982 -11.859 6.284 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 12 +ATOM 19001 C CA . GLU A 1 88 ? -3.475 -11.848 4.898 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 12 +ATOM 19002 C C . GLU A 1 88 ? -2.599 -11.047 3.940 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 12 +ATOM 19003 O O . GLU A 1 88 ? -2.395 -11.442 2.784 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 12 +ATOM 19004 C CB . GLU A 1 88 ? -4.951 -11.407 4.793 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 12 +ATOM 19005 C CG . GLU A 1 88 ? -5.327 -10.080 5.455 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 12 +ATOM 19006 C CD . GLU A 1 88 ? -5.301 -10.132 6.961 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 12 +ATOM 19007 O OE1 . GLU A 1 88 ? -6.217 -10.718 7.561 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 12 +ATOM 19008 O OE2 . GLU A 1 88 ? -4.357 -9.607 7.569 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 12 +ATOM 19009 H H . GLU A 1 88 ? -3.578 -11.486 6.968 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 12 +ATOM 19010 H HA . GLU A 1 88 ? -3.416 -12.873 4.563 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 12 +ATOM 19011 H HB2 . GLU A 1 88 ? -5.156 -11.295 3.743 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 12 +ATOM 19012 H HB3 . GLU A 1 88 ? -5.591 -12.185 5.176 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 12 +ATOM 19013 H HG2 . GLU A 1 88 ? -4.611 -9.340 5.132 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 12 +ATOM 19014 H HG3 . GLU A 1 88 ? -6.316 -9.794 5.128 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 12 +ATOM 19015 N N . VAL A 1 89 ? -2.075 -9.946 4.412 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 12 +ATOM 19016 C CA . VAL A 1 89 ? -1.219 -9.122 3.587 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 12 +ATOM 19017 C C . VAL A 1 89 ? 0.237 -9.589 3.651 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 12 +ATOM 19018 O O . VAL A 1 89 ? 0.962 -9.496 2.674 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 12 +ATOM 19019 C CB . VAL A 1 89 ? -1.341 -7.616 3.937 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 12 +ATOM 19020 C CG1 . VAL A 1 89 ? -2.743 -7.119 3.614 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 12 +ATOM 19021 C CG2 . VAL A 1 89 ? -1.014 -7.373 5.411 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 12 +ATOM 19022 H H . VAL A 1 89 ? -2.293 -9.691 5.332 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 12 +ATOM 19023 H HA . VAL A 1 89 ? -1.557 -9.264 2.570 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 12 +ATOM 19024 H HB . VAL A 1 89 ? -0.649 -7.055 3.326 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 12 +ATOM 19025 H HG11 . VAL A 1 89 ? -3.466 -7.653 4.213 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 12 +ATOM 19026 H HG12 . VAL A 1 89 ? -2.954 -7.288 2.568 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 12 +ATOM 19027 H HG13 . VAL A 1 89 ? -2.808 -6.064 3.825 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 12 +ATOM 19028 H HG21 . VAL A 1 89 ? -1.660 -7.984 6.024 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 12 +ATOM 19029 H HG22 . VAL A 1 89 ? -1.186 -6.337 5.660 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 12 +ATOM 19030 H HG23 . VAL A 1 89 ? 0.017 -7.632 5.602 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 12 +ATOM 19031 N N . TYR A 1 90 ? 0.636 -10.144 4.792 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 12 +ATOM 19032 C CA . TYR A 1 90 ? 2.001 -10.639 4.982 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 12 +ATOM 19033 C C . TYR A 1 90 ? 2.256 -11.837 4.110 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 12 +ATOM 19034 O O . TYR A 1 90 ? 3.266 -11.903 3.416 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 12 +ATOM 19035 C CB . TYR A 1 90 ? 2.268 -11.019 6.440 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 12 +ATOM 19036 C CG . TYR A 1 90 ? 2.523 -9.866 7.381 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 12 +ATOM 19037 C CD1 . TYR A 1 90 ? 1.506 -9.017 7.782 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 12 +ATOM 19038 C CD2 . TYR A 1 90 ? 3.797 -9.645 7.885 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 12 +ATOM 19039 C CE1 . TYR A 1 90 ? 1.751 -7.980 8.655 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 12 +ATOM 19040 C CE2 . TYR A 1 90 ? 4.049 -8.617 8.762 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 12 +ATOM 19041 C CZ . TYR A 1 90 ? 3.026 -7.788 9.143 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 12 +ATOM 19042 O OH . TYR A 1 90 ? 3.271 -6.775 10.030 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 12 +ATOM 19043 H H . TYR A 1 90 ? -0.014 -10.246 5.516 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 12 +ATOM 19044 H HA . TYR A 1 90 ? 2.680 -9.849 4.699 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 12 +ATOM 19045 H HB2 . TYR A 1 90 ? 1.414 -11.560 6.819 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 12 +ATOM 19046 H HB3 . TYR A 1 90 ? 3.128 -11.671 6.469 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 12 +ATOM 19047 H HD1 . TYR A 1 90 ? 0.509 -9.174 7.395 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 12 +ATOM 19048 H HD2 . TYR A 1 90 ? 4.601 -10.299 7.581 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 12 +ATOM 19049 H HE1 . TYR A 1 90 ? 0.945 -7.325 8.953 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 12 +ATOM 19050 H HE2 . TYR A 1 90 ? 5.048 -8.462 9.142 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 12 +ATOM 19051 H HH . TYR A 1 90 ? 2.612 -6.843 10.729 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 12 +ATOM 19052 N N . SER A 1 91 ? 1.323 -12.769 4.135 1.00 0.00 ? ? ? ? ? ? 88 SER A N 12 +ATOM 19053 C CA . SER A 1 91 ? 1.421 -13.985 3.374 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 12 +ATOM 19054 C C . SER A 1 91 ? 1.536 -13.695 1.883 1.00 0.00 ? ? ? ? ? ? 88 SER A C 12 +ATOM 19055 O O . SER A 1 91 ? 2.367 -14.288 1.191 1.00 0.00 ? ? ? ? ? ? 88 SER A O 12 +ATOM 19056 C CB . SER A 1 91 ? 0.215 -14.863 3.664 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 12 +ATOM 19057 O OG . SER A 1 91 ? 0.127 -15.168 5.061 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 12 +ATOM 19058 H H . SER A 1 91 ? 0.528 -12.654 4.703 1.00 0.00 ? ? ? ? ? ? 88 SER A H 12 +ATOM 19059 H HA . SER A 1 91 ? 2.309 -14.507 3.695 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 12 +ATOM 19060 H HB2 . SER A 1 91 ? -0.679 -14.336 3.367 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 12 +ATOM 19061 H HB3 . SER A 1 91 ? 0.292 -15.783 3.104 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 12 +ATOM 19062 H HG . SER A 1 91 ? 1.025 -15.146 5.420 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 12 +ATOM 19063 N N . GLU A 1 92 ? 0.761 -12.745 1.408 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 12 +ATOM 19064 C CA . GLU A 1 92 ? 0.779 -12.425 0.012 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 12 +ATOM 19065 C C . GLU A 1 92 ? 2.102 -11.744 -0.327 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 12 +ATOM 19066 O O . GLU A 1 92 ? 2.742 -12.080 -1.307 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 12 +ATOM 19067 C CB . GLU A 1 92 ? -0.403 -11.529 -0.346 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 12 +ATOM 19068 C CG . GLU A 1 92 ? -0.860 -11.678 -1.790 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 12 +ATOM 19069 C CD . GLU A 1 92 ? -1.392 -13.075 -2.065 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 12 +ATOM 19070 O OE1 . GLU A 1 92 ? -2.574 -13.346 -1.733 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 12 +ATOM 19071 O OE2 . GLU A 1 92 ? -0.649 -13.933 -2.599 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 12 +ATOM 19072 H H . GLU A 1 92 ? 0.165 -12.254 2.010 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 12 +ATOM 19073 H HA . GLU A 1 92 ? 0.710 -13.347 -0.546 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 12 +ATOM 19074 H HB2 . GLU A 1 92 ? -1.228 -11.776 0.304 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 12 +ATOM 19075 H HB3 . GLU A 1 92 ? -0.121 -10.501 -0.181 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 12 +ATOM 19076 H HG2 . GLU A 1 92 ? -1.641 -10.960 -1.991 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 12 +ATOM 19077 H HG3 . GLU A 1 92 ? -0.020 -11.492 -2.442 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 12 +ATOM 19078 N N . ALA A 1 93 ? 2.536 -10.842 0.549 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 12 +ATOM 19079 C CA . ALA A 1 93 ? 3.775 -10.100 0.358 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 12 +ATOM 19080 C C . ALA A 1 93 ? 4.998 -11.016 0.344 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 12 +ATOM 19081 O O . ALA A 1 93 ? 5.826 -10.929 -0.565 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 12 +ATOM 19082 C CB . ALA A 1 93 ? 3.927 -9.022 1.419 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 12 +ATOM 19083 H H . ALA A 1 93 ? 2.000 -10.657 1.351 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 12 +ATOM 19084 H HA . ALA A 1 93 ? 3.713 -9.616 -0.605 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 12 +ATOM 19085 H HB1 . ALA A 1 93 ? 4.033 -9.489 2.387 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 12 +ATOM 19086 H HB2 . ALA A 1 93 ? 3.051 -8.391 1.419 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 12 +ATOM 19087 H HB3 . ALA A 1 93 ? 4.804 -8.428 1.209 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 12 +ATOM 19088 N N . VAL A 1 94 ? 5.091 -11.920 1.320 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 12 +ATOM 19089 C CA . VAL A 1 94 ? 6.240 -12.819 1.419 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 12 +ATOM 19090 C C . VAL A 1 94 ? 6.311 -13.776 0.212 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 12 +ATOM 19091 O O . VAL A 1 94 ? 7.396 -14.160 -0.226 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 12 +ATOM 19092 C CB . VAL A 1 94 ? 6.290 -13.598 2.784 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 12 +ATOM 19093 C CG1 . VAL A 1 94 ? 5.121 -14.553 2.959 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 12 +ATOM 19094 C CG2 . VAL A 1 94 ? 7.611 -14.328 2.954 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 12 +ATOM 19095 H H . VAL A 1 94 ? 4.378 -11.962 1.997 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 12 +ATOM 19096 H HA . VAL A 1 94 ? 7.110 -12.182 1.354 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 12 +ATOM 19097 H HB . VAL A 1 94 ? 6.213 -12.864 3.573 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 12 +ATOM 19098 H HG11 . VAL A 1 94 ? 5.199 -15.054 3.911 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 12 +ATOM 19099 H HG12 . VAL A 1 94 ? 5.132 -15.282 2.163 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 12 +ATOM 19100 H HG13 . VAL A 1 94 ? 4.199 -13.992 2.919 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 12 +ATOM 19101 H HG21 . VAL A 1 94 ? 7.724 -15.033 2.143 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 12 +ATOM 19102 H HG22 . VAL A 1 94 ? 7.613 -14.860 3.895 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 12 +ATOM 19103 H HG23 . VAL A 1 94 ? 8.427 -13.621 2.935 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 12 +ATOM 19104 N N . LYS A 1 95 ? 5.164 -14.151 -0.323 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 12 +ATOM 19105 C CA . LYS A 1 95 ? 5.136 -14.969 -1.519 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 12 +ATOM 19106 C C . LYS A 1 95 ? 5.416 -14.136 -2.774 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 12 +ATOM 19107 O O . LYS A 1 95 ? 6.033 -14.624 -3.730 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 12 +ATOM 19108 C CB . LYS A 1 95 ? 3.811 -15.739 -1.663 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 12 +ATOM 19109 C CG . LYS A 1 95 ? 3.893 -17.238 -1.319 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 12 +ATOM 19110 C CD . LYS A 1 95 ? 4.173 -17.526 0.156 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 12 +ATOM 19111 C CE . LYS A 1 95 ? 2.989 -17.190 1.064 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 12 +ATOM 19112 N NZ . LYS A 1 95 ? 1.763 -17.958 0.729 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 12 +ATOM 19113 H H . LYS A 1 95 ? 4.320 -13.867 0.094 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 12 +ATOM 19114 H HA . LYS A 1 95 ? 5.938 -15.684 -1.419 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 12 +ATOM 19115 H HB2 . LYS A 1 95 ? 3.080 -15.284 -1.011 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 12 +ATOM 19116 H HB3 . LYS A 1 95 ? 3.468 -15.642 -2.682 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 12 +ATOM 19117 H HG2 . LYS A 1 95 ? 2.956 -17.705 -1.579 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 12 +ATOM 19118 H HG3 . LYS A 1 95 ? 4.681 -17.674 -1.917 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 12 +ATOM 19119 H HD2 . LYS A 1 95 ? 4.401 -18.575 0.271 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 12 +ATOM 19120 H HD3 . LYS A 1 95 ? 5.029 -16.943 0.464 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 12 +ATOM 19121 H HE2 . LYS A 1 95 ? 3.264 -17.411 2.084 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 12 +ATOM 19122 H HE3 . LYS A 1 95 ? 2.778 -16.134 0.981 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 12 +ATOM 19123 H HZ1 . LYS A 1 95 ? 1.019 -17.785 1.436 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 12 +ATOM 19124 H HZ2 . LYS A 1 95 ? 1.962 -18.979 0.740 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 12 +ATOM 19125 H HZ3 . LYS A 1 95 ? 1.392 -17.695 -0.207 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 12 +ATOM 19126 N N . ARG A 1 96 ? 4.993 -12.882 -2.750 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 12 +ATOM 19127 C CA . ARG A 1 96 ? 5.085 -12.005 -3.902 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 12 +ATOM 19128 C C . ARG A 1 96 ? 6.512 -11.542 -4.117 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 12 +ATOM 19129 O O . ARG A 1 96 ? 7.024 -11.572 -5.241 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 12 +ATOM 19130 C CB . ARG A 1 96 ? 4.169 -10.783 -3.722 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 12 +ATOM 19131 C CG . ARG A 1 96 ? 3.627 -10.204 -5.021 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 12 +ATOM 19132 C CD . ARG A 1 96 ? 2.667 -11.195 -5.659 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 12 +ATOM 19133 N NE . ARG A 1 96 ? 2.079 -10.721 -6.905 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 12 +ATOM 19134 C CZ . ARG A 1 96 ? 1.389 -11.490 -7.757 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 12 +ATOM 19135 N NH1 . ARG A 1 96 ? 1.187 -12.784 -7.496 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 12 +ATOM 19136 N NH2 . ARG A 1 96 ? 0.863 -10.954 -8.835 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 12 +ATOM 19137 H H . ARG A 1 96 ? 4.586 -12.529 -1.928 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 12 +ATOM 19138 H HA . ARG A 1 96 ? 4.769 -12.548 -4.775 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 12 +ATOM 19139 H HB2 . ARG A 1 96 ? 3.330 -11.067 -3.103 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 12 +ATOM 19140 H HB3 . ARG A 1 96 ? 4.723 -10.010 -3.211 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 12 +ATOM 19141 H HG2 . ARG A 1 96 ? 3.105 -9.280 -4.816 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 12 +ATOM 19142 H HG3 . ARG A 1 96 ? 4.448 -10.022 -5.698 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 12 +ATOM 19143 H HD2 . ARG A 1 96 ? 3.193 -12.113 -5.868 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 12 +ATOM 19144 H HD3 . ARG A 1 96 ? 1.872 -11.398 -4.958 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 12 +ATOM 19145 H HE . ARG A 1 96 ? 2.189 -9.757 -7.107 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 12 +ATOM 19146 H HH11 . ARG A 1 96 ? 1.542 -13.207 -6.654 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 12 +ATOM 19147 H HH12 . ARG A 1 96 ? 0.682 -13.398 -8.106 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 12 +ATOM 19148 H HH21 . ARG A 1 96 ? 0.976 -9.967 -9.001 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 12 +ATOM 19149 H HH22 . ARG A 1 96 ? 0.350 -11.479 -9.516 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 12 +ATOM 19150 N N . ILE A 1 97 ? 7.150 -11.134 -3.053 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 12 +ATOM 19151 C CA . ILE A 1 97 ? 8.496 -10.614 -3.122 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 12 +ATOM 19152 C C . ILE A 1 97 ? 9.498 -11.753 -3.036 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 12 +ATOM 19153 O O . ILE A 1 97 ? 9.959 -12.120 -1.943 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 12 +ATOM 19154 C CB . ILE A 1 97 ? 8.764 -9.590 -1.996 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 12 +ATOM 19155 C CG1 . ILE A 1 97 ? 7.663 -8.531 -1.993 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 12 +ATOM 19156 C CG2 . ILE A 1 97 ? 10.132 -8.922 -2.197 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 12 +ATOM 19157 C CD1 . ILE A 1 97 ? 7.675 -7.652 -0.775 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 12 +ATOM 19158 H H . ILE A 1 97 ? 6.709 -11.184 -2.175 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 12 +ATOM 19159 H HA . ILE A 1 97 ? 8.611 -10.119 -4.076 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 12 +ATOM 19160 H HB . ILE A 1 97 ? 8.759 -10.104 -1.046 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 12 +ATOM 19161 H HG12 . ILE A 1 97 ? 7.783 -7.898 -2.858 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 12 +ATOM 19162 H HG13 . ILE A 1 97 ? 6.702 -9.022 -2.042 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 12 +ATOM 19163 H HG21 . ILE A 1 97 ? 10.908 -9.673 -2.180 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 12 +ATOM 19164 H HG22 . ILE A 1 97 ? 10.306 -8.207 -1.407 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 12 +ATOM 19165 H HG23 . ILE A 1 97 ? 10.146 -8.414 -3.150 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 12 +ATOM 19166 H HD11 . ILE A 1 97 ? 7.515 -8.272 0.095 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 12 +ATOM 19167 H HD12 . ILE A 1 97 ? 6.875 -6.932 -0.861 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 12 +ATOM 19168 H HD13 . ILE A 1 97 ? 8.628 -7.149 -0.698 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 12 +ATOM 19169 N N . LEU A 1 98 ? 9.745 -12.355 -4.177 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 12 +ATOM 19170 C CA . LEU A 1 98 ? 10.690 -13.432 -4.342 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 12 +ATOM 19171 C C . LEU A 1 98 ? 10.680 -13.810 -5.811 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 12 +ATOM 19172 O O . LEU A 1 98 ? 10.176 -14.894 -6.174 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 12 +ATOM 19173 C CB . LEU A 1 98 ? 10.305 -14.650 -3.475 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 12 +ATOM 19174 C CG . LEU A 1 98 ? 11.324 -15.790 -3.404 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 12 +ATOM 19175 C CD1 . LEU A 1 98 ? 12.642 -15.305 -2.820 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 12 +ATOM 19176 C CD2 . LEU A 1 98 ? 10.769 -16.933 -2.585 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 12 +ATOM 19177 O OXT . LEU A 1 98 ? 11.079 -12.972 -6.631 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 12 +ATOM 19178 H H . LEU A 1 98 ? 9.263 -12.055 -4.978 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 12 +ATOM 19179 H HA . LEU A 1 98 ? 11.670 -13.072 -4.066 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 12 +ATOM 19180 H HB2 . LEU A 1 98 ? 10.121 -14.299 -2.471 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 12 +ATOM 19181 H HB3 . LEU A 1 98 ? 9.379 -15.050 -3.862 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 12 +ATOM 19182 H HG . LEU A 1 98 ? 11.516 -16.150 -4.402 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 12 +ATOM 19183 H HD11 . LEU A 1 98 ? 13.066 -14.540 -3.454 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 12 +ATOM 19184 H HD12 . LEU A 1 98 ? 13.332 -16.133 -2.748 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 12 +ATOM 19185 H HD13 . LEU A 1 98 ? 12.465 -14.898 -1.836 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 12 +ATOM 19186 H HD21 . LEU A 1 98 ? 9.878 -17.315 -3.058 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 12 +ATOM 19187 H HD22 . LEU A 1 98 ? 10.526 -16.578 -1.593 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 12 +ATOM 19188 H HD23 . LEU A 1 98 ? 11.505 -17.719 -2.519 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 12 +ATOM 19189 N N . MET A 1 4 ? 10.618 15.850 -1.574 1.00 0.00 ? ? ? ? ? ? 1 MET A N 13 +ATOM 19190 C CA . MET A 1 4 ? 10.906 14.620 -2.298 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 13 +ATOM 19191 C C . MET A 1 4 ? 9.592 13.959 -2.636 1.00 0.00 ? ? ? ? ? ? 1 MET A C 13 +ATOM 19192 O O . MET A 1 4 ? 8.607 14.152 -1.924 1.00 0.00 ? ? ? ? ? ? 1 MET A O 13 +ATOM 19193 C CB . MET A 1 4 ? 11.755 13.672 -1.430 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 13 +ATOM 19194 C CG . MET A 1 4 ? 12.277 12.458 -2.178 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 13 +ATOM 19195 S SD . MET A 1 4 ? 13.238 11.341 -1.149 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 13 +ATOM 19196 C CE . MET A 1 4 ? 13.762 10.138 -2.373 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 13 +ATOM 19197 H H . MET A 1 4 ? 10.054 16.492 -2.164 1.00 0.00 ? ? ? ? ? ? 1 MET A H 13 +ATOM 19198 H HA . MET A 1 4 ? 11.432 14.854 -3.209 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 13 +ATOM 19199 H HB2 . MET A 1 4 ? 12.602 14.208 -1.030 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 13 +ATOM 19200 H HB3 . MET A 1 4 ? 11.145 13.321 -0.610 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 13 +ATOM 19201 H HG2 . MET A 1 4 ? 11.437 11.913 -2.582 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 13 +ATOM 19202 H HG3 . MET A 1 4 ? 12.899 12.805 -2.988 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 13 +ATOM 19203 H HE1 . MET A 1 4 ? 14.355 10.624 -3.132 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 13 +ATOM 19204 H HE2 . MET A 1 4 ? 12.893 9.688 -2.830 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 13 +ATOM 19205 H HE3 . MET A 1 4 ? 14.351 9.374 -1.888 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 13 +ATOM 19206 N N . ALA A 1 5 ? 9.550 13.235 -3.727 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 13 +ATOM 19207 C CA . ALA A 1 5 ? 8.371 12.505 -4.116 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 13 +ATOM 19208 C C . ALA A 1 5 ? 8.784 11.179 -4.692 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 13 +ATOM 19209 O O . ALA A 1 5 ? 9.911 11.029 -5.173 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 13 +ATOM 19210 C CB . ALA A 1 5 ? 7.556 13.283 -5.129 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 13 +ATOM 19211 H H . ALA A 1 5 ? 10.332 13.172 -4.319 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 13 +ATOM 19212 H HA . ALA A 1 5 ? 7.770 12.338 -3.234 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 13 +ATOM 19213 H HB1 . ALA A 1 5 ? 7.276 14.239 -4.714 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 13 +ATOM 19214 H HB2 . ALA A 1 5 ? 6.663 12.721 -5.364 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 13 +ATOM 19215 H HB3 . ALA A 1 5 ? 8.137 13.431 -6.029 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 13 +ATOM 19216 N N . TYR A 1 6 ? 7.913 10.226 -4.615 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 13 +ATOM 19217 C CA . TYR A 1 6 ? 8.168 8.906 -5.142 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 13 +ATOM 19218 C C . TYR A 1 6 ? 7.121 8.589 -6.194 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 13 +ATOM 19219 O O . TYR A 1 6 ? 6.199 9.385 -6.423 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 13 +ATOM 19220 C CB . TYR A 1 6 ? 8.100 7.834 -4.031 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 13 +ATOM 19221 C CG . TYR A 1 6 ? 9.194 7.863 -2.962 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 13 +ATOM 19222 C CD1 . TYR A 1 6 ? 9.434 8.991 -2.184 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 13 +ATOM 19223 C CD2 . TYR A 1 6 ? 9.965 6.734 -2.718 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 13 +ATOM 19224 C CE1 . TYR A 1 6 ? 10.406 8.992 -1.202 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 13 +ATOM 19225 C CE2 . TYR A 1 6 ? 10.931 6.724 -1.731 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 13 +ATOM 19226 C CZ . TYR A 1 6 ? 11.145 7.853 -0.975 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 13 +ATOM 19227 O OH . TYR A 1 6 ? 12.100 7.842 0.017 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 13 +ATOM 19228 H H . TYR A 1 6 ? 7.043 10.403 -4.201 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 13 +ATOM 19229 H HA . TYR A 1 6 ? 9.150 8.895 -5.590 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 13 +ATOM 19230 H HB2 . TYR A 1 6 ? 7.155 7.909 -3.518 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 13 +ATOM 19231 H HB3 . TYR A 1 6 ? 8.138 6.866 -4.511 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 13 +ATOM 19232 H HD1 . TYR A 1 6 ? 8.851 9.881 -2.365 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 13 +ATOM 19233 H HD2 . TYR A 1 6 ? 9.795 5.847 -3.310 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 13 +ATOM 19234 H HE1 . TYR A 1 6 ? 10.572 9.880 -0.610 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 13 +ATOM 19235 H HE2 . TYR A 1 6 ? 11.517 5.833 -1.561 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 13 +ATOM 19236 H HH . TYR A 1 6 ? 12.711 7.102 -0.147 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 13 +ATOM 19237 N N . PHE A 1 7 ? 7.273 7.460 -6.825 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 13 +ATOM 19238 C CA . PHE A 1 7 ? 6.309 6.959 -7.782 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 13 +ATOM 19239 C C . PHE A 1 7 ? 5.356 6.032 -7.049 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 13 +ATOM 19240 O O . PHE A 1 7 ? 5.686 5.553 -5.979 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 13 +ATOM 19241 C CB . PHE A 1 7 ? 7.026 6.183 -8.894 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 13 +ATOM 19242 C CG . PHE A 1 7 ? 7.952 7.016 -9.724 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 13 +ATOM 19243 C CD1 . PHE A 1 7 ? 9.277 7.186 -9.356 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 13 +ATOM 19244 C CD2 . PHE A 1 7 ? 7.499 7.630 -10.872 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 13 +ATOM 19245 C CE1 . PHE A 1 7 ? 10.127 7.952 -10.114 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 13 +ATOM 19246 C CE2 . PHE A 1 7 ? 8.344 8.395 -11.637 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 13 +ATOM 19247 C CZ . PHE A 1 7 ? 9.663 8.557 -11.256 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 13 +ATOM 19248 H H . PHE A 1 7 ? 8.081 6.928 -6.645 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 13 +ATOM 19249 H HA . PHE A 1 7 ? 5.767 7.791 -8.207 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 13 +ATOM 19250 H HB2 . PHE A 1 7 ? 7.625 5.409 -8.437 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 13 +ATOM 19251 H HB3 . PHE A 1 7 ? 6.302 5.721 -9.546 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 13 +ATOM 19252 H HD1 . PHE A 1 7 ? 9.643 6.709 -8.458 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 13 +ATOM 19253 H HD2 . PHE A 1 7 ? 6.468 7.504 -11.168 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 13 +ATOM 19254 H HE1 . PHE A 1 7 ? 11.156 8.076 -9.811 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 13 +ATOM 19255 H HE2 . PHE A 1 7 ? 7.970 8.868 -12.532 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 13 +ATOM 19256 H HZ . PHE A 1 7 ? 10.331 9.159 -11.855 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 13 +ATOM 19257 N N . LEU A 1 8 ? 4.198 5.797 -7.591 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 13 +ATOM 19258 C CA . LEU A 1 8 ? 3.247 4.892 -6.967 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 13 +ATOM 19259 C C . LEU A 1 8 ? 2.854 3.845 -8.008 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 13 +ATOM 19260 O O . LEU A 1 8 ? 2.545 4.203 -9.158 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 13 +ATOM 19261 C CB . LEU A 1 8 ? 2.003 5.698 -6.493 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 13 +ATOM 19262 C CG . LEU A 1 8 ? 1.074 5.081 -5.400 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 13 +ATOM 19263 C CD1 . LEU A 1 8 ? 0.433 3.777 -5.821 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 13 +ATOM 19264 C CD2 . LEU A 1 8 ? 1.814 4.904 -4.096 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 13 +ATOM 19265 H H . LEU A 1 8 ? 3.960 6.233 -8.438 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 13 +ATOM 19266 H HA . LEU A 1 8 ? 3.722 4.415 -6.123 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 13 +ATOM 19267 H HB2 . LEU A 1 8 ? 2.348 6.652 -6.126 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 13 +ATOM 19268 H HB3 . LEU A 1 8 ? 1.400 5.887 -7.369 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 13 +ATOM 19269 H HG . LEU A 1 8 ? 0.267 5.776 -5.220 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 13 +ATOM 19270 H HD11 . LEU A 1 8 ? 1.207 3.090 -6.132 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 13 +ATOM 19271 H HD12 . LEU A 1 8 ? -0.270 3.941 -6.625 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 13 +ATOM 19272 H HD13 . LEU A 1 8 ? -0.076 3.356 -4.966 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 13 +ATOM 19273 H HD21 . LEU A 1 8 ? 2.194 5.855 -3.755 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 13 +ATOM 19274 H HD22 . LEU A 1 8 ? 2.626 4.208 -4.239 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 13 +ATOM 19275 H HD23 . LEU A 1 8 ? 1.137 4.502 -3.358 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 13 +ATOM 19276 N N . ASP A 1 9 ? 2.900 2.579 -7.651 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 13 +ATOM 19277 C CA . ASP A 1 9 ? 2.462 1.524 -8.559 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 13 +ATOM 19278 C C . ASP A 1 9 ? 1.813 0.400 -7.757 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 13 +ATOM 19279 O O . ASP A 1 9 ? 2.045 0.295 -6.553 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 13 +ATOM 19280 C CB . ASP A 1 9 ? 3.621 1.012 -9.429 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 13 +ATOM 19281 C CG . ASP A 1 9 ? 3.127 0.242 -10.630 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 13 +ATOM 19282 O OD1 . ASP A 1 9 ? 2.322 0.805 -11.406 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 13 +ATOM 19283 O OD2 . ASP A 1 9 ? 3.544 -0.908 -10.854 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 13 +ATOM 19284 H H . ASP A 1 9 ? 3.227 2.332 -6.755 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 13 +ATOM 19285 H HA . ASP A 1 9 ? 1.698 1.953 -9.190 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 13 +ATOM 19286 H HB2 . ASP A 1 9 ? 4.202 1.853 -9.776 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 13 +ATOM 19287 H HB3 . ASP A 1 9 ? 4.251 0.364 -8.838 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 13 +ATOM 19288 N N . PHE A 1 10 ? 0.987 -0.408 -8.392 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 13 +ATOM 19289 C CA . PHE A 1 10 ? 0.242 -1.444 -7.685 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 13 +ATOM 19290 C C . PHE A 1 10 ? 0.602 -2.845 -8.178 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 13 +ATOM 19291 O O . PHE A 1 10 ? 0.854 -3.057 -9.377 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 13 +ATOM 19292 C CB . PHE A 1 10 ? -1.268 -1.252 -7.882 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 13 +ATOM 19293 C CG . PHE A 1 10 ? -1.849 0.057 -7.410 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 13 +ATOM 19294 C CD1 . PHE A 1 10 ? -1.851 1.173 -8.235 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 13 +ATOM 19295 C CD2 . PHE A 1 10 ? -2.415 0.162 -6.154 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 13 +ATOM 19296 C CE1 . PHE A 1 10 ? -2.401 2.365 -7.810 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 13 +ATOM 19297 C CE2 . PHE A 1 10 ? -2.971 1.350 -5.725 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 13 +ATOM 19298 C CZ . PHE A 1 10 ? -2.963 2.453 -6.554 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 13 +ATOM 19299 H H . PHE A 1 10 ? 0.874 -0.333 -9.364 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 13 +ATOM 19300 H HA . PHE A 1 10 ? 0.457 -1.363 -6.630 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 13 +ATOM 19301 H HB2 . PHE A 1 10 ? -1.485 -1.328 -8.938 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 13 +ATOM 19302 H HB3 . PHE A 1 10 ? -1.782 -2.052 -7.369 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 13 +ATOM 19303 H HD1 . PHE A 1 10 ? -1.411 1.107 -9.220 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 13 +ATOM 19304 H HD2 . PHE A 1 10 ? -2.420 -0.698 -5.502 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 13 +ATOM 19305 H HE1 . PHE A 1 10 ? -2.394 3.228 -8.460 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 13 +ATOM 19306 H HE2 . PHE A 1 10 ? -3.408 1.416 -4.740 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 13 +ATOM 19307 H HZ . PHE A 1 10 ? -3.400 3.382 -6.217 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 13 +ATOM 19308 N N . ASP A 1 11 ? 0.618 -3.783 -7.253 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 13 +ATOM 19309 C CA . ASP A 1 11 ? 0.805 -5.209 -7.535 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 13 +ATOM 19310 C C . ASP A 1 11 ? -0.510 -5.776 -8.019 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 13 +ATOM 19311 O O . ASP A 1 11 ? -1.557 -5.188 -7.736 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 13 +ATOM 19312 C CB . ASP A 1 11 ? 1.235 -5.974 -6.270 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 13 +ATOM 19313 C CG . ASP A 1 11 ? 1.545 -7.428 -6.557 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 13 +ATOM 19314 O OD1 . ASP A 1 11 ? 2.670 -7.713 -7.011 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 13 +ATOM 19315 O OD2 . ASP A 1 11 ? 0.651 -8.307 -6.387 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 13 +ATOM 19316 H H . ASP A 1 11 ? 0.513 -3.516 -6.311 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 13 +ATOM 19317 H HA . ASP A 1 11 ? 1.556 -5.318 -8.302 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 13 +ATOM 19318 H HB2 . ASP A 1 11 ? 2.123 -5.513 -5.861 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 13 +ATOM 19319 H HB3 . ASP A 1 11 ? 0.439 -5.928 -5.542 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 13 +ATOM 19320 N N . GLU A 1 12 ? -0.476 -6.870 -8.772 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 13 +ATOM 19321 C CA . GLU A 1 12 ? -1.694 -7.502 -9.256 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 13 +ATOM 19322 C C . GLU A 1 12 ? -2.660 -7.812 -8.097 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 13 +ATOM 19323 O O . GLU A 1 12 ? -3.860 -7.625 -8.240 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 13 +ATOM 19324 C CB . GLU A 1 12 ? -1.418 -8.786 -10.053 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 13 +ATOM 19325 C CG . GLU A 1 12 ? -0.741 -9.881 -9.254 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 13 +ATOM 19326 C CD . GLU A 1 12 ? -0.852 -11.221 -9.908 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 13 +ATOM 19327 O OE1 . GLU A 1 12 ? -1.903 -11.856 -9.774 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 13 +ATOM 19328 O OE2 . GLU A 1 12 ? 0.107 -11.675 -10.549 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 13 +ATOM 19329 H H . GLU A 1 12 ? 0.393 -7.262 -9.003 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 13 +ATOM 19330 H HA . GLU A 1 12 ? -2.180 -6.786 -9.903 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 13 +ATOM 19331 H HB2 . GLU A 1 12 ? -2.355 -9.175 -10.424 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 13 +ATOM 19332 H HB3 . GLU A 1 12 ? -0.789 -8.542 -10.898 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 13 +ATOM 19333 H HG2 . GLU A 1 12 ? 0.305 -9.637 -9.145 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 13 +ATOM 19334 H HG3 . GLU A 1 12 ? -1.200 -9.930 -8.278 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 13 +ATOM 19335 N N . ARG A 1 13 ? -2.125 -8.240 -6.932 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 13 +ATOM 19336 C CA . ARG A 1 13 ? -2.971 -8.529 -5.775 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 13 +ATOM 19337 C C . ARG A 1 13 ? -3.670 -7.282 -5.330 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 13 +ATOM 19338 O O . ARG A 1 13 ? -4.878 -7.284 -5.109 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 13 +ATOM 19339 C CB . ARG A 1 13 ? -2.185 -9.136 -4.600 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 13 +ATOM 19340 C CG . ARG A 1 13 ? -1.736 -10.574 -4.804 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 13 +ATOM 19341 C CD . ARG A 1 13 ? -2.930 -11.498 -5.037 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 13 +ATOM 19342 N NE . ARG A 1 13 ? -3.909 -11.465 -3.934 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 13 +ATOM 19343 C CZ . ARG A 1 13 ? -5.243 -11.324 -4.071 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 13 +ATOM 19344 N NH1 . ARG A 1 13 ? -5.813 -11.327 -5.279 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 13 +ATOM 19345 N NH2 . ARG A 1 13 ? -5.994 -11.253 -2.987 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 13 +ATOM 19346 H H . ARG A 1 13 ? -1.144 -8.333 -6.853 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 13 +ATOM 19347 H HA . ARG A 1 13 ? -3.727 -9.231 -6.096 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 13 +ATOM 19348 H HB2 . ARG A 1 13 ? -1.304 -8.535 -4.427 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 13 +ATOM 19349 H HB3 . ARG A 1 13 ? -2.805 -9.099 -3.715 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 13 +ATOM 19350 H HG2 . ARG A 1 13 ? -1.085 -10.618 -5.665 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 13 +ATOM 19351 H HG3 . ARG A 1 13 ? -1.200 -10.902 -3.925 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 13 +ATOM 19352 H HD2 . ARG A 1 13 ? -3.422 -11.194 -5.946 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 13 +ATOM 19353 H HD3 . ARG A 1 13 ? -2.570 -12.509 -5.151 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 13 +ATOM 19354 H HE . ARG A 1 13 ? -3.543 -11.548 -3.020 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 13 +ATOM 19355 H HH11 . ARG A 1 13 ? -5.277 -11.444 -6.119 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 13 +ATOM 19356 H HH12 . ARG A 1 13 ? -6.805 -11.212 -5.401 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 13 +ATOM 19357 H HH21 . ARG A 1 13 ? -5.555 -11.312 -2.083 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 13 +ATOM 19358 H HH22 . ARG A 1 13 ? -6.992 -11.148 -3.003 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 13 +ATOM 19359 N N . ALA A 1 14 ? -2.914 -6.211 -5.260 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 13 +ATOM 19360 C CA . ALA A 1 14 ? -3.432 -4.930 -4.873 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 13 +ATOM 19361 C C . ALA A 1 14 ? -4.482 -4.454 -5.856 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 13 +ATOM 19362 O O . ALA A 1 14 ? -5.521 -4.014 -5.452 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 13 +ATOM 19363 C CB . ALA A 1 14 ? -2.318 -3.912 -4.770 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 13 +ATOM 19364 H H . ALA A 1 14 ? -1.964 -6.301 -5.483 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 13 +ATOM 19365 H HA . ALA A 1 14 ? -3.884 -5.036 -3.897 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 13 +ATOM 19366 H HB1 . ALA A 1 14 ? -1.854 -3.790 -5.737 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 13 +ATOM 19367 H HB2 . ALA A 1 14 ? -1.581 -4.255 -4.060 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 13 +ATOM 19368 H HB3 . ALA A 1 14 ? -2.723 -2.966 -4.443 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 13 +ATOM 19369 N N . LEU A 1 15 ? -4.214 -4.609 -7.144 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 13 +ATOM 19370 C CA . LEU A 1 15 ? -5.112 -4.141 -8.195 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 13 +ATOM 19371 C C . LEU A 1 15 ? -6.448 -4.839 -8.170 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 13 +ATOM 19372 O O . LEU A 1 15 ? -7.493 -4.193 -8.265 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 13 +ATOM 19373 C CB . LEU A 1 15 ? -4.462 -4.293 -9.562 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 13 +ATOM 19374 C CG . LEU A 1 15 ? -3.391 -3.270 -9.904 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 13 +ATOM 19375 C CD1 . LEU A 1 15 ? -2.686 -3.661 -11.189 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 13 +ATOM 19376 C CD2 . LEU A 1 15 ? -4.023 -1.885 -10.050 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 13 +ATOM 19377 H H . LEU A 1 15 ? -3.387 -5.073 -7.408 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 13 +ATOM 19378 H HA . LEU A 1 15 ? -5.286 -3.091 -8.023 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 13 +ATOM 19379 H HB2 . LEU A 1 15 ? -4.018 -5.276 -9.605 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 13 +ATOM 19380 H HB3 . LEU A 1 15 ? -5.238 -4.238 -10.309 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 13 +ATOM 19381 H HG . LEU A 1 15 ? -2.662 -3.228 -9.109 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 13 +ATOM 19382 H HD11 . LEU A 1 15 ? -2.200 -4.616 -11.056 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 13 +ATOM 19383 H HD12 . LEU A 1 15 ? -1.949 -2.912 -11.442 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 13 +ATOM 19384 H HD13 . LEU A 1 15 ? -3.412 -3.737 -11.984 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 13 +ATOM 19385 H HD21 . LEU A 1 15 ? -3.265 -1.165 -10.325 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 13 +ATOM 19386 H HD22 . LEU A 1 15 ? -4.481 -1.578 -9.121 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 13 +ATOM 19387 H HD23 . LEU A 1 15 ? -4.779 -1.915 -10.820 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 13 +ATOM 19388 N N . LYS A 1 16 ? -6.418 -6.134 -8.028 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 13 +ATOM 19389 C CA . LYS A 1 16 ? -7.626 -6.928 -8.004 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 13 +ATOM 19390 C C . LYS A 1 16 ? -8.493 -6.557 -6.807 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 13 +ATOM 19391 O O . LYS A 1 16 ? -9.705 -6.350 -6.947 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 13 +ATOM 19392 C CB . LYS A 1 16 ? -7.247 -8.400 -8.001 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 13 +ATOM 19393 C CG . LYS A 1 16 ? -6.545 -8.805 -9.281 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 13 +ATOM 19394 C CD . LYS A 1 16 ? -5.806 -10.115 -9.145 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 13 +ATOM 19395 C CE . LYS A 1 16 ? -5.182 -10.502 -10.481 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 13 +ATOM 19396 N NZ . LYS A 1 16 ? -4.444 -11.783 -10.440 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 13 +ATOM 19397 H H . LYS A 1 16 ? -5.547 -6.581 -7.939 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 13 +ATOM 19398 H HA . LYS A 1 16 ? -8.173 -6.711 -8.908 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 13 +ATOM 19399 H HB2 . LYS A 1 16 ? -6.594 -8.596 -7.164 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 13 +ATOM 19400 H HB3 . LYS A 1 16 ? -8.144 -8.993 -7.905 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 13 +ATOM 19401 H HG2 . LYS A 1 16 ? -7.278 -8.903 -10.068 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 13 +ATOM 19402 H HG3 . LYS A 1 16 ? -5.841 -8.029 -9.546 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 13 +ATOM 19403 H HD2 . LYS A 1 16 ? -5.029 -9.945 -8.410 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 13 +ATOM 19404 H HD3 . LYS A 1 16 ? -6.482 -10.883 -8.804 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 13 +ATOM 19405 H HE2 . LYS A 1 16 ? -5.972 -10.587 -11.210 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 13 +ATOM 19406 H HE3 . LYS A 1 16 ? -4.509 -9.713 -10.786 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 13 +ATOM 19407 H HZ1 . LYS A 1 16 ? -4.200 -12.061 -11.412 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 13 +ATOM 19408 H HZ2 . LYS A 1 16 ? -4.988 -12.556 -10.013 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 13 +ATOM 19409 H HZ3 . LYS A 1 16 ? -3.532 -11.700 -9.931 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 13 +ATOM 19410 N N . GLU A 1 17 ? -7.869 -6.409 -5.666 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 13 +ATOM 19411 C CA . GLU A 1 17 ? -8.559 -6.023 -4.452 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 13 +ATOM 19412 C C . GLU A 1 17 ? -9.029 -4.550 -4.524 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 13 +ATOM 19413 O O . GLU A 1 17 ? -10.120 -4.220 -4.085 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 13 +ATOM 19414 C CB . GLU A 1 17 ? -7.651 -6.271 -3.256 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 13 +ATOM 19415 C CG . GLU A 1 17 ? -7.243 -7.737 -3.105 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 13 +ATOM 19416 C CD . GLU A 1 17 ? -8.394 -8.642 -2.744 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 13 +ATOM 19417 O OE1 . GLU A 1 17 ? -8.666 -8.816 -1.544 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 13 +ATOM 19418 O OE2 . GLU A 1 17 ? -9.053 -9.202 -3.640 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 13 +ATOM 19419 H H . GLU A 1 17 ? -6.902 -6.576 -5.620 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 13 +ATOM 19420 H HA . GLU A 1 17 ? -9.431 -6.653 -4.367 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 13 +ATOM 19421 H HB2 . GLU A 1 17 ? -6.757 -5.676 -3.369 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 13 +ATOM 19422 H HB3 . GLU A 1 17 ? -8.166 -5.968 -2.356 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 13 +ATOM 19423 H HG2 . GLU A 1 17 ? -6.861 -8.063 -4.061 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 13 +ATOM 19424 H HG3 . GLU A 1 17 ? -6.457 -7.840 -2.373 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 13 +ATOM 19425 N N . TRP A 1 18 ? -8.201 -3.705 -5.118 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 13 +ATOM 19426 C CA . TRP A 1 18 ? -8.456 -2.262 -5.298 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 13 +ATOM 19427 C C . TRP A 1 18 ? -9.680 -2.037 -6.184 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 13 +ATOM 19428 O O . TRP A 1 18 ? -10.548 -1.213 -5.875 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 13 +ATOM 19429 C CB . TRP A 1 18 ? -7.200 -1.628 -5.932 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 13 +ATOM 19430 C CG . TRP A 1 18 ? -7.242 -0.162 -6.219 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 13 +ATOM 19431 C CD1 . TRP A 1 18 ? -7.608 0.429 -7.389 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 13 +ATOM 19432 C CD2 . TRP A 1 18 ? -6.848 0.895 -5.342 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 13 +ATOM 19433 N NE1 . TRP A 1 18 ? -7.498 1.788 -7.284 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 13 +ATOM 19434 C CE2 . TRP A 1 18 ? -7.027 2.102 -6.039 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 13 +ATOM 19435 C CE3 . TRP A 1 18 ? -6.371 0.940 -4.030 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 13 +ATOM 19436 C CZ2 . TRP A 1 18 ? -6.742 3.337 -5.475 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 13 +ATOM 19437 C CZ3 . TRP A 1 18 ? -6.088 2.166 -3.472 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 13 +ATOM 19438 C CH2 . TRP A 1 18 ? -6.274 3.347 -4.192 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 13 +ATOM 19439 H H . TRP A 1 18 ? -7.341 -4.055 -5.442 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 13 +ATOM 19440 H HA . TRP A 1 18 ? -8.628 -1.813 -4.330 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 13 +ATOM 19441 H HB2 . TRP A 1 18 ? -6.359 -1.793 -5.274 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 13 +ATOM 19442 H HB3 . TRP A 1 18 ? -7.003 -2.142 -6.862 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 13 +ATOM 19443 H HD1 . TRP A 1 18 ? -7.946 -0.115 -8.260 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 13 +ATOM 19444 H HE1 . TRP A 1 18 ? -7.718 2.421 -8.003 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 13 +ATOM 19445 H HE3 . TRP A 1 18 ? -6.222 0.035 -3.459 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 13 +ATOM 19446 H HZ2 . TRP A 1 18 ? -6.880 4.260 -6.017 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 13 +ATOM 19447 H HZ3 . TRP A 1 18 ? -5.715 2.223 -2.460 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 13 +ATOM 19448 H HH2 . TRP A 1 18 ? -6.037 4.285 -3.713 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 13 +ATOM 19449 N N . ARG A 1 19 ? -9.758 -2.774 -7.274 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 13 +ATOM 19450 C CA . ARG A 1 19 ? -10.884 -2.647 -8.184 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 13 +ATOM 19451 C C . ARG A 1 19 ? -12.131 -3.248 -7.565 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 13 +ATOM 19452 O O . ARG A 1 19 ? -13.245 -2.825 -7.859 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 13 +ATOM 19453 C CB . ARG A 1 19 ? -10.577 -3.286 -9.533 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 13 +ATOM 19454 C CG . ARG A 1 19 ? -9.404 -2.638 -10.241 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 13 +ATOM 19455 C CD . ARG A 1 19 ? -9.111 -3.297 -11.569 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 13 +ATOM 19456 N NE . ARG A 1 19 ? -10.187 -3.096 -12.549 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 13 +ATOM 19457 C CZ . ARG A 1 19 ? -10.115 -3.461 -13.837 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 13 +ATOM 19458 N NH1 . ARG A 1 19 ? -9.014 -4.053 -14.307 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 13 +ATOM 19459 N NH2 . ARG A 1 19 ? -11.136 -3.223 -14.652 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 13 +ATOM 19460 H H . ARG A 1 19 ? -9.027 -3.404 -7.474 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 13 +ATOM 19461 H HA . ARG A 1 19 ? -11.060 -1.591 -8.325 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 13 +ATOM 19462 H HB2 . ARG A 1 19 ? -10.342 -4.328 -9.377 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 13 +ATOM 19463 H HB3 . ARG A 1 19 ? -11.445 -3.210 -10.170 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 13 +ATOM 19464 H HG2 . ARG A 1 19 ? -9.647 -1.600 -10.416 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 13 +ATOM 19465 H HG3 . ARG A 1 19 ? -8.532 -2.705 -9.607 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 13 +ATOM 19466 H HD2 . ARG A 1 19 ? -8.190 -2.897 -11.964 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 13 +ATOM 19467 H HD3 . ARG A 1 19 ? -8.999 -4.355 -11.388 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 13 +ATOM 19468 H HE . ARG A 1 19 ? -10.994 -2.646 -12.206 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 13 +ATOM 19469 H HH11 . ARG A 1 19 ? -8.216 -4.246 -13.730 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 13 +ATOM 19470 H HH12 . ARG A 1 19 ? -8.917 -4.328 -15.267 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 13 +ATOM 19471 H HH21 . ARG A 1 19 ? -11.975 -2.766 -14.344 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 13 +ATOM 19472 H HH22 . ARG A 1 19 ? -11.112 -3.483 -15.621 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 13 +ATOM 19473 N N . LYS A 1 20 ? -11.930 -4.205 -6.688 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 13 +ATOM 19474 C CA . LYS A 1 20 ? -13.015 -4.854 -5.975 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 13 +ATOM 19475 C C . LYS A 1 20 ? -13.570 -3.898 -4.905 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 13 +ATOM 19476 O O . LYS A 1 20 ? -14.778 -3.848 -4.665 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 13 +ATOM 19477 C CB . LYS A 1 20 ? -12.489 -6.134 -5.328 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 13 +ATOM 19478 C CG . LYS A 1 20 ? -13.544 -7.025 -4.702 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 13 +ATOM 19479 C CD . LYS A 1 20 ? -12.910 -8.259 -4.076 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 13 +ATOM 19480 C CE . LYS A 1 20 ? -12.134 -7.933 -2.806 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 13 +ATOM 19481 N NZ . LYS A 1 20 ? -11.424 -9.115 -2.288 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 13 +ATOM 19482 H H . LYS A 1 20 ? -11.008 -4.495 -6.522 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 13 +ATOM 19483 H HA . LYS A 1 20 ? -13.793 -5.102 -6.683 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 13 +ATOM 19484 H HB2 . LYS A 1 20 ? -11.969 -6.710 -6.080 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 13 +ATOM 19485 H HB3 . LYS A 1 20 ? -11.780 -5.849 -4.566 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 13 +ATOM 19486 H HG2 . LYS A 1 20 ? -14.058 -6.468 -3.934 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 13 +ATOM 19487 H HG3 . LYS A 1 20 ? -14.247 -7.333 -5.461 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 13 +ATOM 19488 H HD2 . LYS A 1 20 ? -13.683 -8.972 -3.836 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 13 +ATOM 19489 H HD3 . LYS A 1 20 ? -12.230 -8.688 -4.798 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 13 +ATOM 19490 H HE2 . LYS A 1 20 ? -11.409 -7.161 -3.018 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 13 +ATOM 19491 H HE3 . LYS A 1 20 ? -12.824 -7.581 -2.055 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 13 +ATOM 19492 H HZ1 . LYS A 1 20 ? -12.027 -9.957 -2.208 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 13 +ATOM 19493 H HZ2 . LYS A 1 20 ? -11.022 -8.927 -1.349 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 13 +ATOM 19494 H HZ3 . LYS A 1 20 ? -10.606 -9.350 -2.896 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 13 +ATOM 19495 N N . LEU A 1 21 ? -12.667 -3.166 -4.273 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 13 +ATOM 19496 C CA . LEU A 1 21 ? -12.982 -2.155 -3.255 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 13 +ATOM 19497 C C . LEU A 1 21 ? -13.926 -1.083 -3.790 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 13 +ATOM 19498 O O . LEU A 1 21 ? -13.920 -0.774 -4.997 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 13 +ATOM 19499 C CB . LEU A 1 21 ? -11.694 -1.475 -2.783 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 13 +ATOM 19500 C CG . LEU A 1 21 ? -11.288 -1.677 -1.327 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 13 +ATOM 19501 C CD1 . LEU A 1 21 ? -11.060 -3.146 -1.007 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 13 +ATOM 19502 C CD2 . LEU A 1 21 ? -10.049 -0.865 -1.025 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 13 +ATOM 19503 H H . LEU A 1 21 ? -11.722 -3.330 -4.482 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 13 +ATOM 19504 H HA . LEU A 1 21 ? -13.438 -2.647 -2.409 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 13 +ATOM 19505 H HB2 . LEU A 1 21 ? -10.885 -1.827 -3.406 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 13 +ATOM 19506 H HB3 . LEU A 1 21 ? -11.810 -0.415 -2.954 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 13 +ATOM 19507 H HG . LEU A 1 21 ? -12.078 -1.310 -0.689 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 13 +ATOM 19508 H HD11 . LEU A 1 21 ? -10.271 -3.533 -1.634 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 13 +ATOM 19509 H HD12 . LEU A 1 21 ? -11.970 -3.698 -1.187 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 13 +ATOM 19510 H HD13 . LEU A 1 21 ? -10.781 -3.246 0.030 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 13 +ATOM 19511 H HD21 . LEU A 1 21 ? -9.244 -1.170 -1.676 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 13 +ATOM 19512 H HD22 . LEU A 1 21 ? -9.764 -1.017 0.005 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 13 +ATOM 19513 H HD23 . LEU A 1 21 ? -10.272 0.180 -1.187 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 13 +ATOM 19514 N N . GLY A 1 22 ? -14.720 -0.521 -2.897 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 13 +ATOM 19515 C CA . GLY A 1 22 ? -15.640 0.531 -3.254 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 13 +ATOM 19516 C C . GLY A 1 22 ? -14.904 1.763 -3.712 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 13 +ATOM 19517 O O . GLY A 1 22 ? -13.835 2.077 -3.170 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 13 +ATOM 19518 H H . GLY A 1 22 ? -14.685 -0.818 -1.962 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 13 +ATOM 19519 H HA2 . GLY A 1 22 ? -16.275 0.183 -4.054 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 13 +ATOM 19520 H HA3 . GLY A 1 22 ? -16.248 0.781 -2.397 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 13 +ATOM 19521 N N . SER A 1 23 ? -15.476 2.455 -4.684 1.00 0.00 ? ? ? ? ? ? 20 SER A N 13 +ATOM 19522 C CA . SER A 1 23 ? -14.890 3.626 -5.319 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 13 +ATOM 19523 C C . SER A 1 23 ? -14.403 4.662 -4.283 1.00 0.00 ? ? ? ? ? ? 20 SER A C 13 +ATOM 19524 O O . SER A 1 23 ? -13.264 5.091 -4.316 1.00 0.00 ? ? ? ? ? ? 20 SER A O 13 +ATOM 19525 C CB . SER A 1 23 ? -15.939 4.250 -6.245 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 13 +ATOM 19526 O OG . SER A 1 23 ? -16.527 3.254 -7.087 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 13 +ATOM 19527 H H . SER A 1 23 ? -16.361 2.174 -5.001 1.00 0.00 ? ? ? ? ? ? 20 SER A H 13 +ATOM 19528 H HA . SER A 1 23 ? -14.055 3.302 -5.922 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 13 +ATOM 19529 H HB2 . SER A 1 23 ? -16.714 4.704 -5.645 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 13 +ATOM 19530 H HB3 . SER A 1 23 ? -15.473 5.002 -6.863 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 13 +ATOM 19531 H HG . SER A 1 23 ? -17.488 3.337 -7.008 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 13 +ATOM 19532 N N . THR A 1 24 ? -15.256 5.001 -3.355 1.00 0.00 ? ? ? ? ? ? 21 THR A N 13 +ATOM 19533 C CA . THR A 1 24 ? -14.968 5.986 -2.332 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 13 +ATOM 19534 C C . THR A 1 24 ? -13.909 5.468 -1.346 1.00 0.00 ? ? ? ? ? ? 21 THR A C 13 +ATOM 19535 O O . THR A 1 24 ? -13.005 6.205 -0.941 1.00 0.00 ? ? ? ? ? ? 21 THR A O 13 +ATOM 19536 C CB . THR A 1 24 ? -16.267 6.356 -1.586 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 13 +ATOM 19537 O OG1 . THR A 1 24 ? -17.261 6.736 -2.558 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 13 +ATOM 19538 C CG2 . THR A 1 24 ? -16.041 7.522 -0.627 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 13 +ATOM 19539 H H . THR A 1 24 ? -16.128 4.553 -3.340 1.00 0.00 ? ? ? ? ? ? 21 THR A H 13 +ATOM 19540 H HA . THR A 1 24 ? -14.587 6.872 -2.817 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 13 +ATOM 19541 H HB . THR A 1 24 ? -16.603 5.490 -1.034 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 13 +ATOM 19542 H HG1 . THR A 1 24 ? -17.284 7.701 -2.586 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 13 +ATOM 19543 H HG21 . THR A 1 24 ? -15.710 8.389 -1.180 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 13 +ATOM 19544 H HG22 . THR A 1 24 ? -15.286 7.253 0.097 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 13 +ATOM 19545 H HG23 . THR A 1 24 ? -16.964 7.754 -0.115 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 13 +ATOM 19546 N N . VAL A 1 25 ? -13.984 4.185 -1.033 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 13 +ATOM 19547 C CA . VAL A 1 25 ? -13.072 3.580 -0.081 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 13 +ATOM 19548 C C . VAL A 1 25 ? -11.672 3.568 -0.665 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 13 +ATOM 19549 O O . VAL A 1 25 ? -10.711 4.017 -0.028 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 13 +ATOM 19550 C CB . VAL A 1 25 ? -13.506 2.128 0.274 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 13 +ATOM 19551 C CG1 . VAL A 1 25 ? -12.519 1.485 1.236 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 13 +ATOM 19552 C CG2 . VAL A 1 25 ? -14.901 2.117 0.879 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 13 +ATOM 19553 H H . VAL A 1 25 ? -14.647 3.621 -1.481 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 13 +ATOM 19554 H HA . VAL A 1 25 ? -13.076 4.180 0.818 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 13 +ATOM 19555 H HB . VAL A 1 25 ? -13.527 1.554 -0.641 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 13 +ATOM 19556 H HG11 . VAL A 1 25 ? -12.836 0.477 1.463 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 13 +ATOM 19557 H HG12 . VAL A 1 25 ? -12.477 2.059 2.149 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 13 +ATOM 19558 H HG13 . VAL A 1 25 ? -11.539 1.458 0.782 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 13 +ATOM 19559 H HG21 . VAL A 1 25 ? -14.896 2.699 1.788 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 13 +ATOM 19560 H HG22 . VAL A 1 25 ? -15.186 1.102 1.108 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 13 +ATOM 19561 H HG23 . VAL A 1 25 ? -15.605 2.543 0.180 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 13 +ATOM 19562 N N . ARG A 1 26 ? -11.570 3.127 -1.901 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 13 +ATOM 19563 C CA . ARG A 1 26 ? -10.298 3.108 -2.563 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 13 +ATOM 19564 C C . ARG A 1 26 ? -9.801 4.507 -2.853 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 13 +ATOM 19565 O O . ARG A 1 26 ? -8.629 4.754 -2.780 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 13 +ATOM 19566 C CB . ARG A 1 26 ? -10.274 2.247 -3.818 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 13 +ATOM 19567 C CG . ARG A 1 26 ? -11.297 2.609 -4.867 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 13 +ATOM 19568 C CD . ARG A 1 26 ? -10.960 1.936 -6.163 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 13 +ATOM 19569 N NE . ARG A 1 26 ? -11.899 2.275 -7.230 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 13 +ATOM 19570 C CZ . ARG A 1 26 ? -12.666 1.395 -7.891 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 13 +ATOM 19571 N NH1 . ARG A 1 26 ? -12.719 0.115 -7.504 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 13 +ATOM 19572 N NH2 . ARG A 1 26 ? -13.394 1.802 -8.921 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 13 +ATOM 19573 H H . ARG A 1 26 ? -12.379 2.799 -2.357 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 13 +ATOM 19574 H HA . ARG A 1 26 ? -9.609 2.684 -1.847 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 13 +ATOM 19575 H HB2 . ARG A 1 26 ? -9.295 2.331 -4.266 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 13 +ATOM 19576 H HB3 . ARG A 1 26 ? -10.427 1.218 -3.530 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 13 +ATOM 19577 H HG2 . ARG A 1 26 ? -12.244 2.219 -4.520 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 13 +ATOM 19578 H HG3 . ARG A 1 26 ? -11.398 3.678 -4.990 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 13 +ATOM 19579 H HD2 . ARG A 1 26 ? -9.972 2.282 -6.434 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 13 +ATOM 19580 H HD3 . ARG A 1 26 ? -10.941 0.867 -6.013 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 13 +ATOM 19581 H HE . ARG A 1 26 ? -11.892 3.229 -7.477 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 13 +ATOM 19582 H HH11 . ARG A 1 26 ? -12.195 -0.227 -6.715 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 13 +ATOM 19583 H HH12 . ARG A 1 26 ? -13.285 -0.568 -7.978 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 13 +ATOM 19584 H HH21 . ARG A 1 26 ? -13.399 2.754 -9.243 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 13 +ATOM 19585 H HH22 . ARG A 1 26 ? -13.993 1.177 -9.431 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 13 +ATOM 19586 N N . GLU A 1 27 ? -10.692 5.425 -3.182 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 13 +ATOM 19587 C CA . GLU A 1 27 ? -10.275 6.787 -3.435 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 13 +ATOM 19588 C C . GLU A 1 27 ? -9.746 7.505 -2.219 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 13 +ATOM 19589 O O . GLU A 1 27 ? -8.871 8.342 -2.346 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 13 +ATOM 19590 C CB . GLU A 1 27 ? -11.286 7.612 -4.187 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 13 +ATOM 19591 C CG . GLU A 1 27 ? -11.342 7.258 -5.655 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 13 +ATOM 19592 C CD . GLU A 1 27 ? -12.139 8.238 -6.438 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 13 +ATOM 19593 O OE1 . GLU A 1 27 ? -11.613 9.328 -6.741 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 13 +ATOM 19594 O OE2 . GLU A 1 27 ? -13.299 7.960 -6.764 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 13 +ATOM 19595 H H . GLU A 1 27 ? -11.641 5.182 -3.274 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 13 +ATOM 19596 H HA . GLU A 1 27 ? -9.414 6.666 -4.077 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 13 +ATOM 19597 H HB2 . GLU A 1 27 ? -12.256 7.424 -3.749 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 13 +ATOM 19598 H HB3 . GLU A 1 27 ? -11.039 8.658 -4.085 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 13 +ATOM 19599 H HG2 . GLU A 1 27 ? -10.338 7.243 -6.051 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 13 +ATOM 19600 H HG3 . GLU A 1 27 ? -11.788 6.281 -5.762 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 13 +ATOM 19601 N N . GLN A 1 28 ? -10.246 7.191 -1.040 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 13 +ATOM 19602 C CA . GLN A 1 28 ? -9.703 7.774 0.138 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 13 +ATOM 19603 C C . GLN A 1 28 ? -8.315 7.199 0.402 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 13 +ATOM 19604 O O . GLN A 1 28 ? -7.423 7.899 0.866 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 13 +ATOM 19605 C CB . GLN A 1 28 ? -10.645 7.632 1.315 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 13 +ATOM 19606 C CG . GLN A 1 28 ? -11.518 8.869 1.648 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 13 +ATOM 19607 C CD . GLN A 1 28 ? -12.575 9.302 0.607 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 13 +ATOM 19608 O OE1 . GLN A 1 28 ? -13.616 9.831 0.982 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 13 +ATOM 19609 N NE2 . GLN A 1 28 ? -12.322 9.137 -0.660 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 13 +ATOM 19610 H H . GLN A 1 28 ? -10.979 6.549 -0.903 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 13 +ATOM 19611 H HA . GLN A 1 28 ? -9.561 8.821 -0.080 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 13 +ATOM 19612 H HB2 . GLN A 1 28 ? -11.304 6.795 1.136 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 13 +ATOM 19613 H HB3 . GLN A 1 28 ? -10.025 7.416 2.167 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 13 +ATOM 19614 H HG2 . GLN A 1 28 ? -12.050 8.665 2.566 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 13 +ATOM 19615 H HG3 . GLN A 1 28 ? -10.850 9.699 1.824 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 13 +ATOM 19616 H HE21 . GLN A 1 28 ? -11.468 8.734 -0.917 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 13 +ATOM 19617 H HE22 . GLN A 1 28 ? -12.997 9.418 -1.317 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 13 +ATOM 19618 N N . LEU A 1 29 ? -8.140 5.931 0.068 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 13 +ATOM 19619 C CA . LEU A 1 29 ? -6.832 5.295 0.118 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 13 +ATOM 19620 C C . LEU A 1 29 ? -5.904 5.944 -0.920 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 13 +ATOM 19621 O O . LEU A 1 29 ? -4.746 6.216 -0.635 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 13 +ATOM 19622 C CB . LEU A 1 29 ? -6.952 3.790 -0.129 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 13 +ATOM 19623 C CG . LEU A 1 29 ? -7.701 2.987 0.944 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 13 +ATOM 19624 C CD1 . LEU A 1 29 ? -7.853 1.556 0.514 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 13 +ATOM 19625 C CD2 . LEU A 1 29 ? -6.964 3.054 2.271 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 13 +ATOM 19626 H H . LEU A 1 29 ? -8.915 5.400 -0.214 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 13 +ATOM 19627 H HA . LEU A 1 29 ? -6.418 5.470 1.101 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 13 +ATOM 19628 H HB2 . LEU A 1 29 ? -7.461 3.652 -1.071 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 13 +ATOM 19629 H HB3 . LEU A 1 29 ? -5.953 3.387 -0.219 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 13 +ATOM 19630 H HG . LEU A 1 29 ? -8.698 3.376 1.082 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 13 +ATOM 19631 H HD11 . LEU A 1 29 ? -6.875 1.122 0.372 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 13 +ATOM 19632 H HD12 . LEU A 1 29 ? -8.405 1.511 -0.414 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 13 +ATOM 19633 H HD13 . LEU A 1 29 ? -8.381 1.003 1.277 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 13 +ATOM 19634 H HD21 . LEU A 1 29 ? -5.960 2.675 2.144 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 13 +ATOM 19635 H HD22 . LEU A 1 29 ? -7.483 2.443 2.995 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 13 +ATOM 19636 H HD23 . LEU A 1 29 ? -6.926 4.075 2.619 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 13 +ATOM 19637 N N . LYS A 1 30 ? -6.449 6.203 -2.118 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 13 +ATOM 19638 C CA . LYS A 1 30 ? -5.746 6.917 -3.197 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 13 +ATOM 19639 C C . LYS A 1 30 ? -5.255 8.271 -2.681 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 13 +ATOM 19640 O O . LYS A 1 30 ? -4.116 8.654 -2.897 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 13 +ATOM 19641 C CB . LYS A 1 30 ? -6.727 7.174 -4.350 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 13 +ATOM 19642 C CG . LYS A 1 30 ? -6.148 7.933 -5.541 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 13 +ATOM 19643 C CD . LYS A 1 30 ? -7.251 8.533 -6.426 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 13 +ATOM 19644 C CE . LYS A 1 30 ? -7.985 9.675 -5.703 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 13 +ATOM 19645 N NZ . LYS A 1 30 ? -9.038 10.312 -6.535 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 13 +ATOM 19646 H H . LYS A 1 30 ? -7.350 5.851 -2.294 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 13 +ATOM 19647 H HA . LYS A 1 30 ? -4.920 6.324 -3.557 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 13 +ATOM 19648 H HB2 . LYS A 1 30 ? -7.097 6.223 -4.706 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 13 +ATOM 19649 H HB3 . LYS A 1 30 ? -7.554 7.741 -3.951 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 13 +ATOM 19650 H HG2 . LYS A 1 30 ? -5.530 8.734 -5.164 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 13 +ATOM 19651 H HG3 . LYS A 1 30 ? -5.546 7.257 -6.130 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 13 +ATOM 19652 H HD2 . LYS A 1 30 ? -6.807 8.920 -7.331 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 13 +ATOM 19653 H HD3 . LYS A 1 30 ? -7.963 7.760 -6.675 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 13 +ATOM 19654 H HE2 . LYS A 1 30 ? -8.451 9.289 -4.808 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 13 +ATOM 19655 H HE3 . LYS A 1 30 ? -7.253 10.421 -5.420 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 13 +ATOM 19656 H HZ1 . LYS A 1 30 ? -9.849 9.688 -6.741 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 13 +ATOM 19657 H HZ2 . LYS A 1 30 ? -8.657 10.644 -7.444 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 13 +ATOM 19658 H HZ3 . LYS A 1 30 ? -9.411 11.145 -6.038 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 13 +ATOM 19659 N N . LYS A 1 31 ? -6.135 8.959 -1.964 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 13 +ATOM 19660 C CA . LYS A 1 31 ? -5.833 10.244 -1.343 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 13 +ATOM 19661 C C . LYS A 1 31 ? -4.658 10.121 -0.382 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 13 +ATOM 19662 O O . LYS A 1 31 ? -3.796 11.011 -0.318 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 13 +ATOM 19663 C CB . LYS A 1 31 ? -7.083 10.786 -0.637 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 13 +ATOM 19664 C CG . LYS A 1 31 ? -8.133 11.359 -1.599 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 13 +ATOM 19665 C CD . LYS A 1 31 ? -9.545 11.460 -0.987 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 13 +ATOM 19666 C CE . LYS A 1 31 ? -9.571 12.018 0.426 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 13 +ATOM 19667 N NZ . LYS A 1 31 ? -9.062 13.400 0.529 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 13 +ATOM 19668 H H . LYS A 1 31 ? -7.037 8.581 -1.870 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 13 +ATOM 19669 H HA . LYS A 1 31 ? -5.556 10.927 -2.131 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 13 +ATOM 19670 H HB2 . LYS A 1 31 ? -7.535 9.986 -0.069 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 13 +ATOM 19671 H HB3 . LYS A 1 31 ? -6.778 11.570 0.043 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 13 +ATOM 19672 H HG2 . LYS A 1 31 ? -7.828 12.340 -1.930 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 13 +ATOM 19673 H HG3 . LYS A 1 31 ? -8.185 10.690 -2.446 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 13 +ATOM 19674 H HD2 . LYS A 1 31 ? -10.127 12.122 -1.610 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 13 +ATOM 19675 H HD3 . LYS A 1 31 ? -10.010 10.487 -1.000 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 13 +ATOM 19676 H HE2 . LYS A 1 31 ? -10.597 11.996 0.763 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 13 +ATOM 19677 H HE3 . LYS A 1 31 ? -8.985 11.361 1.051 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 13 +ATOM 19678 H HZ1 . LYS A 1 31 ? -8.117 13.503 0.112 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 13 +ATOM 19679 H HZ2 . LYS A 1 31 ? -8.967 13.640 1.539 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 13 +ATOM 19680 H HZ3 . LYS A 1 31 ? -9.713 14.088 0.103 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 13 +ATOM 19681 N N . LYS A 1 32 ? -4.603 9.012 0.327 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 13 +ATOM 19682 C CA . LYS A 1 32 ? -3.509 8.738 1.233 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 13 +ATOM 19683 C C . LYS A 1 32 ? -2.219 8.459 0.500 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 13 +ATOM 19684 O O . LYS A 1 32 ? -1.147 8.837 0.955 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 13 +ATOM 19685 C CB . LYS A 1 32 ? -3.831 7.625 2.221 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 13 +ATOM 19686 C CG . LYS A 1 32 ? -4.386 8.118 3.548 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 13 +ATOM 19687 C CD . LYS A 1 32 ? -5.679 8.878 3.396 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 13 +ATOM 19688 C CE . LYS A 1 32 ? -6.095 9.471 4.715 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 13 +ATOM 19689 N NZ . LYS A 1 32 ? -5.122 10.475 5.191 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 13 +ATOM 19690 H H . LYS A 1 32 ? -5.324 8.350 0.235 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 13 +ATOM 19691 H HA . LYS A 1 32 ? -3.379 9.654 1.786 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 13 +ATOM 19692 H HB2 . LYS A 1 32 ? -4.557 6.963 1.773 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 13 +ATOM 19693 H HB3 . LYS A 1 32 ? -2.925 7.071 2.413 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 13 +ATOM 19694 H HG2 . LYS A 1 32 ? -4.569 7.267 4.188 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 13 +ATOM 19695 H HG3 . LYS A 1 32 ? -3.652 8.759 4.012 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 13 +ATOM 19696 H HD2 . LYS A 1 32 ? -5.539 9.672 2.677 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 13 +ATOM 19697 H HD3 . LYS A 1 32 ? -6.448 8.205 3.047 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 13 +ATOM 19698 H HE2 . LYS A 1 32 ? -7.076 9.912 4.635 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 13 +ATOM 19699 H HE3 . LYS A 1 32 ? -6.106 8.648 5.417 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 13 +ATOM 19700 H HZ1 . LYS A 1 32 ? -5.497 11.026 5.986 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 13 +ATOM 19701 H HZ2 . LYS A 1 32 ? -4.829 11.139 4.437 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 13 +ATOM 19702 H HZ3 . LYS A 1 32 ? -4.248 10.017 5.516 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 13 +ATOM 19703 N N . LEU A 1 33 ? -2.323 7.819 -0.631 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 13 +ATOM 19704 C CA . LEU A 1 33 ? -1.166 7.535 -1.448 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 13 +ATOM 19705 C C . LEU A 1 33 ? -0.575 8.837 -1.971 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 13 +ATOM 19706 O O . LEU A 1 33 ? 0.635 9.037 -1.953 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 13 +ATOM 19707 C CB . LEU A 1 33 ? -1.547 6.610 -2.602 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 13 +ATOM 19708 C CG . LEU A 1 33 ? -2.161 5.269 -2.192 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 13 +ATOM 19709 C CD1 . LEU A 1 33 ? -2.535 4.455 -3.409 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 13 +ATOM 19710 C CD2 . LEU A 1 33 ? -1.213 4.491 -1.286 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 13 +ATOM 19711 H H . LEU A 1 33 ? -3.210 7.511 -0.920 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 13 +ATOM 19712 H HA . LEU A 1 33 ? -0.438 7.040 -0.824 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 13 +ATOM 19713 H HB2 . LEU A 1 33 ? -2.254 7.132 -3.230 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 13 +ATOM 19714 H HB3 . LEU A 1 33 ? -0.655 6.410 -3.178 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 13 +ATOM 19715 H HG . LEU A 1 33 ? -3.069 5.464 -1.640 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 13 +ATOM 19716 H HD11 . LEU A 1 33 ? -3.262 4.997 -3.996 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 13 +ATOM 19717 H HD12 . LEU A 1 33 ? -2.956 3.510 -3.099 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 13 +ATOM 19718 H HD13 . LEU A 1 33 ? -1.653 4.283 -4.007 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 13 +ATOM 19719 H HD21 . LEU A 1 33 ? -0.272 4.329 -1.787 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 13 +ATOM 19720 H HD22 . LEU A 1 33 ? -1.657 3.537 -1.049 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 13 +ATOM 19721 H HD23 . LEU A 1 33 ? -1.049 5.045 -0.374 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 13 +ATOM 19722 N N . VAL A 1 34 ? -1.452 9.733 -2.380 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 13 +ATOM 19723 C CA . VAL A 1 34 ? -1.057 11.037 -2.889 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 13 +ATOM 19724 C C . VAL A 1 34 ? -0.331 11.865 -1.810 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 13 +ATOM 19725 O O . VAL A 1 34 ? 0.717 12.463 -2.083 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 13 +ATOM 19726 C CB . VAL A 1 34 ? -2.291 11.819 -3.437 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 13 +ATOM 19727 C CG1 . VAL A 1 34 ? -1.913 13.215 -3.906 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 13 +ATOM 19728 C CG2 . VAL A 1 34 ? -2.936 11.050 -4.574 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 13 +ATOM 19729 H H . VAL A 1 34 ? -2.404 9.489 -2.353 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 13 +ATOM 19730 H HA . VAL A 1 34 ? -0.365 10.875 -3.702 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 13 +ATOM 19731 H HB . VAL A 1 34 ? -3.019 11.907 -2.644 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 13 +ATOM 19732 H HG11 . VAL A 1 34 ? -1.173 13.145 -4.689 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 13 +ATOM 19733 H HG12 . VAL A 1 34 ? -1.511 13.772 -3.072 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 13 +ATOM 19734 H HG13 . VAL A 1 34 ? -2.795 13.713 -4.281 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 13 +ATOM 19735 H HG21 . VAL A 1 34 ? -3.784 11.604 -4.949 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 13 +ATOM 19736 H HG22 . VAL A 1 34 ? -3.272 10.093 -4.197 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 13 +ATOM 19737 H HG23 . VAL A 1 34 ? -2.220 10.897 -5.366 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 13 +ATOM 19738 N N . GLU A 1 35 ? -0.859 11.874 -0.588 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 13 +ATOM 19739 C CA . GLU A 1 35 ? -0.225 12.630 0.488 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 13 +ATOM 19740 C C . GLU A 1 35 ? 1.117 11.995 0.891 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 13 +ATOM 19741 O O . GLU A 1 35 ? 2.150 12.684 0.964 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 13 +ATOM 19742 C CB . GLU A 1 35 ? -1.163 12.798 1.721 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 13 +ATOM 19743 C CG . GLU A 1 35 ? -1.561 11.495 2.384 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 13 +ATOM 19744 C CD . GLU A 1 35 ? -2.520 11.634 3.546 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 13 +ATOM 19745 O OE1 . GLU A 1 35 ? -3.735 11.799 3.315 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 13 +ATOM 19746 O OE2 . GLU A 1 35 ? -2.082 11.535 4.720 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 13 +ATOM 19747 H H . GLU A 1 35 ? -1.686 11.371 -0.420 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 13 +ATOM 19748 H HA . GLU A 1 35 ? -0.013 13.605 0.077 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 13 +ATOM 19749 H HB2 . GLU A 1 35 ? -0.657 13.402 2.460 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 13 +ATOM 19750 H HB3 . GLU A 1 35 ? -2.062 13.308 1.405 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 13 +ATOM 19751 H HG2 . GLU A 1 35 ? -2.006 10.881 1.619 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 13 +ATOM 19752 H HG3 . GLU A 1 35 ? -0.659 11.009 2.726 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 13 +ATOM 19753 N N . VAL A 1 36 ? 1.104 10.675 1.045 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 13 +ATOM 19754 C CA . VAL A 1 36 ? 2.228 9.926 1.561 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 13 +ATOM 19755 C C . VAL A 1 36 ? 3.461 10.022 0.670 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 13 +ATOM 19756 O O . VAL A 1 36 ? 4.556 9.989 1.163 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 13 +ATOM 19757 C CB . VAL A 1 36 ? 1.883 8.448 1.908 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 13 +ATOM 19758 C CG1 . VAL A 1 36 ? 1.848 7.540 0.686 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 13 +ATOM 19759 C CG2 . VAL A 1 36 ? 2.820 7.924 2.970 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 13 +ATOM 19760 H H . VAL A 1 36 ? 0.290 10.174 0.808 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 13 +ATOM 19761 H HA . VAL A 1 36 ? 2.492 10.426 2.481 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 13 +ATOM 19762 H HB . VAL A 1 36 ? 0.886 8.449 2.323 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 13 +ATOM 19763 H HG11 . VAL A 1 36 ? 1.143 7.941 -0.027 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 13 +ATOM 19764 H HG12 . VAL A 1 36 ? 1.543 6.546 0.978 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 13 +ATOM 19765 H HG13 . VAL A 1 36 ? 2.830 7.499 0.237 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 13 +ATOM 19766 H HG21 . VAL A 1 36 ? 2.718 8.513 3.870 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 13 +ATOM 19767 H HG22 . VAL A 1 36 ? 3.824 8.018 2.590 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 13 +ATOM 19768 H HG23 . VAL A 1 36 ? 2.602 6.887 3.177 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 13 +ATOM 19769 N N . LEU A 1 37 ? 3.261 10.181 -0.637 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 13 +ATOM 19770 C CA . LEU A 1 37 ? 4.359 10.234 -1.618 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 13 +ATOM 19771 C C . LEU A 1 37 ? 5.435 11.273 -1.285 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 13 +ATOM 19772 O O . LEU A 1 37 ? 6.585 11.123 -1.716 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 13 +ATOM 19773 C CB . LEU A 1 37 ? 3.828 10.490 -3.034 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 13 +ATOM 19774 C CG . LEU A 1 37 ? 3.083 9.343 -3.716 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 13 +ATOM 19775 C CD1 . LEU A 1 37 ? 2.547 9.794 -5.066 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 13 +ATOM 19776 C CD2 . LEU A 1 37 ? 4.002 8.143 -3.889 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 13 +ATOM 19777 H H . LEU A 1 37 ? 2.336 10.247 -0.959 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 13 +ATOM 19778 H HA . LEU A 1 37 ? 4.834 9.263 -1.614 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 13 +ATOM 19779 H HB2 . LEU A 1 37 ? 3.147 11.323 -2.968 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 13 +ATOM 19780 H HB3 . LEU A 1 37 ? 4.653 10.781 -3.667 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 13 +ATOM 19781 H HG . LEU A 1 37 ? 2.245 9.047 -3.103 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 13 +ATOM 19782 H HD11 . LEU A 1 37 ? 3.366 10.134 -5.682 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 13 +ATOM 19783 H HD12 . LEU A 1 37 ? 1.842 10.599 -4.922 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 13 +ATOM 19784 H HD13 . LEU A 1 37 ? 2.052 8.966 -5.550 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 13 +ATOM 19785 H HD21 . LEU A 1 37 ? 4.309 7.767 -2.925 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 13 +ATOM 19786 H HD22 . LEU A 1 37 ? 4.876 8.446 -4.445 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 13 +ATOM 19787 H HD23 . LEU A 1 37 ? 3.486 7.367 -4.434 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 13 +ATOM 19788 N N . GLU A 1 38 ? 5.085 12.322 -0.541 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 13 +ATOM 19789 C CA . GLU A 1 38 ? 6.087 13.314 -0.189 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 13 +ATOM 19790 C C . GLU A 1 38 ? 7.006 12.800 0.941 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 13 +ATOM 19791 O O . GLU A 1 38 ? 8.163 13.201 1.048 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 13 +ATOM 19792 C CB . GLU A 1 38 ? 5.468 14.658 0.200 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 13 +ATOM 19793 C CG . GLU A 1 38 ? 4.684 14.647 1.496 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 13 +ATOM 19794 C CD . GLU A 1 38 ? 4.262 16.023 1.908 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 13 +ATOM 19795 O OE1 . GLU A 1 38 ? 5.145 16.840 2.269 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 13 +ATOM 19796 O OE2 . GLU A 1 38 ? 3.055 16.326 1.882 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 13 +ATOM 19797 H H . GLU A 1 38 ? 4.157 12.408 -0.226 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 13 +ATOM 19798 H HA . GLU A 1 38 ? 6.701 13.452 -1.068 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 13 +ATOM 19799 H HB2 . GLU A 1 38 ? 6.258 15.388 0.294 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 13 +ATOM 19800 H HB3 . GLU A 1 38 ? 4.803 14.970 -0.592 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 13 +ATOM 19801 H HG2 . GLU A 1 38 ? 3.805 14.032 1.374 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 13 +ATOM 19802 H HG3 . GLU A 1 38 ? 5.309 14.229 2.272 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 13 +ATOM 19803 N N . SER A 1 39 ? 6.497 11.922 1.782 1.00 0.00 ? ? ? ? ? ? 36 SER A N 13 +ATOM 19804 C CA . SER A 1 39 ? 7.261 11.384 2.902 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 13 +ATOM 19805 C C . SER A 1 39 ? 6.754 9.973 3.273 1.00 0.00 ? ? ? ? ? ? 36 SER A C 13 +ATOM 19806 O O . SER A 1 39 ? 6.106 9.793 4.290 1.00 0.00 ? ? ? ? ? ? 36 SER A O 13 +ATOM 19807 C CB . SER A 1 39 ? 7.161 12.327 4.129 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 13 +ATOM 19808 O OG . SER A 1 39 ? 7.572 13.662 3.805 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 13 +ATOM 19809 H H . SER A 1 39 ? 5.589 11.574 1.643 1.00 0.00 ? ? ? ? ? ? 36 SER A H 13 +ATOM 19810 H HA . SER A 1 39 ? 8.294 11.309 2.600 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 13 +ATOM 19811 H HB2 . SER A 1 39 ? 6.137 12.357 4.473 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 13 +ATOM 19812 H HB3 . SER A 1 39 ? 7.794 11.951 4.920 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 13 +ATOM 19813 H HG . SER A 1 39 ? 7.892 13.633 2.892 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 13 +ATOM 19814 N N . PRO A 1 40 ? 6.985 8.957 2.411 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 13 +ATOM 19815 C CA . PRO A 1 40 ? 6.515 7.601 2.672 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 13 +ATOM 19816 C C . PRO A 1 40 ? 7.500 6.783 3.488 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 13 +ATOM 19817 O O . PRO A 1 40 ? 7.217 5.669 3.867 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 13 +ATOM 19818 C CB . PRO A 1 40 ? 6.351 7.022 1.273 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 13 +ATOM 19819 C CG . PRO A 1 40 ? 7.420 7.684 0.472 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 13 +ATOM 19820 C CD . PRO A 1 40 ? 7.636 9.055 1.083 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 13 +ATOM 19821 H HA . PRO A 1 40 ? 5.567 7.591 3.184 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 13 +ATOM 19822 H HB2 . PRO A 1 40 ? 6.477 5.951 1.307 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 13 +ATOM 19823 H HB3 . PRO A 1 40 ? 5.370 7.261 0.891 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 13 +ATOM 19824 H HG2 . PRO A 1 40 ? 8.328 7.103 0.525 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 13 +ATOM 19825 H HG3 . PRO A 1 40 ? 7.102 7.778 -0.557 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 13 +ATOM 19826 H HD2 . PRO A 1 40 ? 8.689 9.278 1.182 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 13 +ATOM 19827 H HD3 . PRO A 1 40 ? 7.140 9.803 0.479 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 13 +ATOM 19828 N N . ARG A 1 41 ? 8.635 7.365 3.789 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 13 +ATOM 19829 C CA . ARG A 1 41 ? 9.672 6.682 4.544 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 13 +ATOM 19830 C C . ARG A 1 41 ? 9.524 6.909 6.059 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 13 +ATOM 19831 O O . ARG A 1 41 ? 10.495 6.988 6.800 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 13 +ATOM 19832 C CB . ARG A 1 41 ? 11.079 7.033 3.978 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 13 +ATOM 19833 C CG . ARG A 1 41 ? 11.420 8.526 3.817 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 13 +ATOM 19834 C CD . ARG A 1 41 ? 11.808 9.199 5.125 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 13 +ATOM 19835 N NE . ARG A 1 41 ? 13.002 8.590 5.745 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 13 +ATOM 19836 C CZ . ARG A 1 41 ? 13.366 8.764 7.029 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 13 +ATOM 19837 N NH1 . ARG A 1 41 ? 12.618 9.510 7.836 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 13 +ATOM 19838 N NH2 . ARG A 1 41 ? 14.460 8.172 7.506 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 13 +ATOM 19839 H H . ARG A 1 41 ? 8.758 8.289 3.492 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 13 +ATOM 19840 H HA . ARG A 1 41 ? 9.494 5.628 4.383 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 13 +ATOM 19841 H HB2 . ARG A 1 41 ? 11.819 6.609 4.641 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 13 +ATOM 19842 H HB3 . ARG A 1 41 ? 11.178 6.556 3.013 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 13 +ATOM 19843 H HG2 . ARG A 1 41 ? 12.238 8.627 3.123 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 13 +ATOM 19844 H HG3 . ARG A 1 41 ? 10.555 9.027 3.408 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 13 +ATOM 19845 H HD2 . ARG A 1 41 ? 12.015 10.241 4.931 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 13 +ATOM 19846 H HD3 . ARG A 1 41 ? 10.978 9.115 5.811 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 13 +ATOM 19847 H HE . ARG A 1 41 ? 13.544 8.021 5.151 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 13 +ATOM 19848 H HH11 . ARG A 1 41 ? 11.777 9.957 7.525 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 13 +ATOM 19849 H HH12 . ARG A 1 41 ? 12.858 9.651 8.801 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 13 +ATOM 19850 H HH21 . ARG A 1 41 ? 15.026 7.584 6.921 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 13 +ATOM 19851 H HH22 . ARG A 1 41 ? 14.764 8.284 8.458 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 13 +ATOM 19852 N N . ILE A 1 42 ? 8.288 6.930 6.507 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 13 +ATOM 19853 C CA . ILE A 1 42 ? 7.976 7.112 7.906 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 13 +ATOM 19854 C C . ILE A 1 42 ? 8.099 5.761 8.603 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 13 +ATOM 19855 O O . ILE A 1 42 ? 7.200 4.912 8.512 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 13 +ATOM 19856 C CB . ILE A 1 42 ? 6.545 7.705 8.102 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 13 +ATOM 19857 C CG1 . ILE A 1 42 ? 6.449 9.075 7.413 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 13 +ATOM 19858 C CG2 . ILE A 1 42 ? 6.191 7.825 9.588 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 13 +ATOM 19859 C CD1 . ILE A 1 42 ? 5.081 9.729 7.494 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 13 +ATOM 19860 H H . ILE A 1 42 ? 7.567 6.773 5.861 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 13 +ATOM 19861 H HA . ILE A 1 42 ? 8.710 7.790 8.320 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 13 +ATOM 19862 H HB . ILE A 1 42 ? 5.837 7.033 7.640 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 13 +ATOM 19863 H HG12 . ILE A 1 42 ? 7.157 9.749 7.871 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 13 +ATOM 19864 H HG13 . ILE A 1 42 ? 6.704 8.957 6.370 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 13 +ATOM 19865 H HG21 . ILE A 1 42 ? 6.890 8.494 10.068 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 13 +ATOM 19866 H HG22 . ILE A 1 42 ? 6.247 6.851 10.049 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 13 +ATOM 19867 H HG23 . ILE A 1 42 ? 5.189 8.214 9.690 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 13 +ATOM 19868 H HD11 . ILE A 1 42 ? 5.113 10.674 6.969 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 13 +ATOM 19869 H HD12 . ILE A 1 42 ? 4.819 9.895 8.528 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 13 +ATOM 19870 H HD13 . ILE A 1 42 ? 4.345 9.086 7.032 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 13 +ATOM 19871 N N . GLU A 1 43 ? 9.224 5.571 9.282 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 13 +ATOM 19872 C CA . GLU A 1 43 ? 9.590 4.302 9.906 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 13 +ATOM 19873 C C . GLU A 1 43 ? 8.555 3.799 10.913 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 13 +ATOM 19874 O O . GLU A 1 43 ? 8.456 2.598 11.155 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 13 +ATOM 19875 C CB . GLU A 1 43 ? 10.972 4.386 10.550 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 13 +ATOM 19876 C CG . GLU A 1 43 ? 11.068 5.385 11.679 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 13 +ATOM 19877 C CD . GLU A 1 43 ? 12.416 5.414 12.310 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 13 +ATOM 19878 O OE1 . GLU A 1 43 ? 12.677 4.593 13.222 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 13 +ATOM 19879 O OE2 . GLU A 1 43 ? 13.238 6.263 11.932 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 13 +ATOM 19880 H H . GLU A 1 43 ? 9.844 6.329 9.356 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 13 +ATOM 19881 H HA . GLU A 1 43 ? 9.646 3.583 9.104 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 13 +ATOM 19882 H HB2 . GLU A 1 43 ? 11.233 3.411 10.931 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 13 +ATOM 19883 H HB3 . GLU A 1 43 ? 11.688 4.663 9.790 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 13 +ATOM 19884 H HG2 . GLU A 1 43 ? 10.858 6.368 11.286 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 13 +ATOM 19885 H HG3 . GLU A 1 43 ? 10.334 5.134 12.432 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 13 +ATOM 19886 N N . ALA A 1 44 ? 7.772 4.709 11.471 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 13 +ATOM 19887 C CA . ALA A 1 44 ? 6.723 4.357 12.420 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 13 +ATOM 19888 C C . ALA A 1 44 ? 5.630 3.525 11.750 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 13 +ATOM 19889 O O . ALA A 1 44 ? 4.895 2.802 12.413 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 13 +ATOM 19890 C CB . ALA A 1 44 ? 6.120 5.613 13.032 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 13 +ATOM 19891 H H . ALA A 1 44 ? 7.927 5.654 11.250 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 13 +ATOM 19892 H HA . ALA A 1 44 ? 7.169 3.773 13.212 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 13 +ATOM 19893 H HB1 . ALA A 1 44 ? 5.385 5.336 13.772 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 13 +ATOM 19894 H HB2 . ALA A 1 44 ? 5.646 6.198 12.257 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 13 +ATOM 19895 H HB3 . ALA A 1 44 ? 6.897 6.200 13.497 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 13 +ATOM 19896 N N . ASN A 1 45 ? 5.537 3.622 10.437 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 13 +ATOM 19897 C CA . ASN A 1 45 ? 4.518 2.900 9.688 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 13 +ATOM 19898 C C . ASN A 1 45 ? 5.079 1.639 9.064 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 13 +ATOM 19899 O O . ASN A 1 45 ? 4.370 0.936 8.341 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 13 +ATOM 19900 C CB . ASN A 1 45 ? 3.881 3.786 8.599 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 13 +ATOM 19901 C CG . ASN A 1 45 ? 3.069 4.944 9.155 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 13 +ATOM 19902 O OD1 . ASN A 1 45 ? 2.488 4.859 10.244 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 13 +ATOM 19903 N ND2 . ASN A 1 45 ? 3.022 6.033 8.422 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 13 +ATOM 19904 H H . ASN A 1 45 ? 6.184 4.178 9.945 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 13 +ATOM 19905 H HA . ASN A 1 45 ? 3.746 2.609 10.384 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 13 +ATOM 19906 H HB2 . ASN A 1 45 ? 4.664 4.200 7.983 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 13 +ATOM 19907 H HB3 . ASN A 1 45 ? 3.235 3.174 7.985 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 13 +ATOM 19908 H HD21 . ASN A 1 45 ? 3.505 6.041 7.569 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 13 +ATOM 19909 H HD22 . ASN A 1 45 ? 2.507 6.794 8.761 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 13 +ATOM 19910 N N . LYS A 1 46 ? 6.343 1.344 9.347 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 13 +ATOM 19911 C CA . LYS A 1 46 ? 6.982 0.150 8.809 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 13 +ATOM 19912 C C . LYS A 1 46 ? 6.465 -1.096 9.464 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 13 +ATOM 19913 O O . LYS A 1 46 ? 6.240 -1.135 10.679 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 13 +ATOM 19914 C CB . LYS A 1 46 ? 8.513 0.196 8.909 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 13 +ATOM 19915 C CG . LYS A 1 46 ? 9.146 1.183 7.961 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 13 +ATOM 19916 C CD . LYS A 1 46 ? 10.685 1.255 8.028 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 13 +ATOM 19917 C CE . LYS A 1 46 ? 11.405 0.014 7.458 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 13 +ATOM 19918 N NZ . LYS A 1 46 ? 11.347 -1.177 8.341 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 13 +ATOM 19919 H H . LYS A 1 46 ? 6.842 1.929 9.956 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 13 +ATOM 19920 H HA . LYS A 1 46 ? 6.713 0.100 7.764 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 13 +ATOM 19921 H HB2 . LYS A 1 46 ? 8.788 0.464 9.918 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 13 +ATOM 19922 H HB3 . LYS A 1 46 ? 8.895 -0.789 8.692 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 13 +ATOM 19923 H HG2 . LYS A 1 46 ? 8.875 0.894 6.956 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 13 +ATOM 19924 H HG3 . LYS A 1 46 ? 8.730 2.158 8.158 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 13 +ATOM 19925 H HD2 . LYS A 1 46 ? 11.007 2.116 7.462 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 13 +ATOM 19926 H HD3 . LYS A 1 46 ? 10.973 1.390 9.060 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 13 +ATOM 19927 H HE2 . LYS A 1 46 ? 10.940 -0.244 6.518 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 13 +ATOM 19928 H HE3 . LYS A 1 46 ? 12.437 0.267 7.269 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 13 +ATOM 19929 H HZ1 . LYS A 1 46 ? 11.901 -1.955 7.927 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 13 +ATOM 19930 H HZ2 . LYS A 1 46 ? 10.382 -1.542 8.458 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 13 +ATOM 19931 H HZ3 . LYS A 1 46 ? 11.742 -0.976 9.281 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 13 +ATOM 19932 N N . LEU A 1 47 ? 6.271 -2.099 8.663 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 13 +ATOM 19933 C CA . LEU A 1 47 ? 5.803 -3.361 9.132 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 13 +ATOM 19934 C C . LEU A 1 47 ? 6.932 -4.149 9.727 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 13 +ATOM 19935 O O . LEU A 1 47 ? 8.054 -4.160 9.198 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 13 +ATOM 19936 C CB . LEU A 1 47 ? 5.152 -4.167 8.020 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 13 +ATOM 19937 C CG . LEU A 1 47 ? 3.909 -3.581 7.386 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 13 +ATOM 19938 C CD1 . LEU A 1 47 ? 3.318 -4.554 6.396 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 13 +ATOM 19939 C CD2 . LEU A 1 47 ? 2.900 -3.229 8.438 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 13 +ATOM 19940 H H . LEU A 1 47 ? 6.457 -1.968 7.706 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 13 +ATOM 19941 H HA . LEU A 1 47 ? 5.067 -3.178 9.899 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 13 +ATOM 19942 H HB2 . LEU A 1 47 ? 5.884 -4.275 7.235 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 13 +ATOM 19943 H HB3 . LEU A 1 47 ? 4.909 -5.146 8.402 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 13 +ATOM 19944 H HG . LEU A 1 47 ? 4.174 -2.679 6.852 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 13 +ATOM 19945 H HD11 . LEU A 1 47 ? 2.418 -4.129 5.979 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 13 +ATOM 19946 H HD12 . LEU A 1 47 ? 3.079 -5.479 6.900 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 13 +ATOM 19947 H HD13 . LEU A 1 47 ? 4.030 -4.741 5.606 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 13 +ATOM 19948 H HD21 . LEU A 1 47 ? 2.701 -4.090 9.055 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 13 +ATOM 19949 H HD22 . LEU A 1 47 ? 1.987 -2.921 7.950 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 13 +ATOM 19950 H HD23 . LEU A 1 47 ? 3.275 -2.420 9.047 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 13 +ATOM 19951 N N . ARG A 1 48 ? 6.642 -4.771 10.813 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 13 +ATOM 19952 C CA . ARG A 1 48 ? 7.567 -5.589 11.530 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 13 +ATOM 19953 C C . ARG A 1 48 ? 7.833 -6.900 10.783 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 13 +ATOM 19954 O O . ARG A 1 48 ? 6.963 -7.779 10.717 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 13 +ATOM 19955 C CB . ARG A 1 48 ? 6.990 -5.853 12.913 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 13 +ATOM 19956 C CG . ARG A 1 48 ? 7.746 -6.848 13.744 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 13 +ATOM 19957 C CD . ARG A 1 48 ? 7.063 -7.047 15.068 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 13 +ATOM 19958 N NE . ARG A 1 48 ? 7.666 -8.132 15.818 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 13 +ATOM 19959 C CZ . ARG A 1 48 ? 7.377 -8.448 17.072 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 13 +ATOM 19960 N NH1 . ARG A 1 48 ? 6.524 -7.693 17.779 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 13 +ATOM 19961 N NH2 . ARG A 1 48 ? 7.946 -9.511 17.620 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 13 +ATOM 19962 H H . ARG A 1 48 ? 5.734 -4.677 11.173 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 13 +ATOM 19963 H HA . ARG A 1 48 ? 8.492 -5.045 11.645 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 13 +ATOM 19964 H HB2 . ARG A 1 48 ? 6.960 -4.922 13.458 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 13 +ATOM 19965 H HB3 . ARG A 1 48 ? 5.979 -6.212 12.792 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 13 +ATOM 19966 H HG2 . ARG A 1 48 ? 7.790 -7.791 13.218 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 13 +ATOM 19967 H HG3 . ARG A 1 48 ? 8.745 -6.477 13.912 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 13 +ATOM 19968 H HD2 . ARG A 1 48 ? 7.140 -6.137 15.644 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 13 +ATOM 19969 H HD3 . ARG A 1 48 ? 6.023 -7.278 14.896 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 13 +ATOM 19970 H HE . ARG A 1 48 ? 8.318 -8.667 15.306 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 13 +ATOM 19971 H HH11 . ARG A 1 48 ? 6.085 -6.882 17.378 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 13 +ATOM 19972 H HH12 . ARG A 1 48 ? 6.284 -7.879 18.733 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 13 +ATOM 19973 H HH21 . ARG A 1 48 ? 8.593 -10.069 17.091 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 13 +ATOM 19974 H HH22 . ARG A 1 48 ? 7.766 -9.831 18.552 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 13 +ATOM 19975 N N . GLY A 1 49 ? 9.007 -7.003 10.193 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 13 +ATOM 19976 C CA . GLY A 1 49 ? 9.393 -8.215 9.518 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 13 +ATOM 19977 C C . GLY A 1 49 ? 8.995 -8.236 8.075 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 13 +ATOM 19978 O O . GLY A 1 49 ? 8.702 -9.300 7.521 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 13 +ATOM 19979 H H . GLY A 1 49 ? 9.631 -6.245 10.209 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 13 +ATOM 19980 H HA2 . GLY A 1 49 ? 10.462 -8.341 9.587 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 13 +ATOM 19981 H HA3 . GLY A 1 49 ? 8.903 -9.039 10.012 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 13 +ATOM 19982 N N . MET A 1 50 ? 8.990 -7.090 7.458 1.00 0.00 ? ? ? ? ? ? 47 MET A N 13 +ATOM 19983 C CA . MET A 1 50 ? 8.609 -6.980 6.068 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 13 +ATOM 19984 C C . MET A 1 50 ? 9.586 -6.075 5.352 1.00 0.00 ? ? ? ? ? ? 47 MET A C 13 +ATOM 19985 O O . MET A 1 50 ? 9.909 -4.999 5.856 1.00 0.00 ? ? ? ? ? ? 47 MET A O 13 +ATOM 19986 C CB . MET A 1 50 ? 7.195 -6.422 5.935 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 13 +ATOM 19987 C CG . MET A 1 50 ? 6.090 -7.331 6.476 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 13 +ATOM 19988 S SD . MET A 1 50 ? 5.916 -8.871 5.545 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 13 +ATOM 19989 C CE . MET A 1 50 ? 5.435 -8.238 3.937 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 13 +ATOM 19990 H H . MET A 1 50 ? 9.284 -6.287 7.940 1.00 0.00 ? ? ? ? ? ? 47 MET A H 13 +ATOM 19991 H HA . MET A 1 50 ? 8.646 -7.968 5.634 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 13 +ATOM 19992 H HB2 . MET A 1 50 ? 7.175 -5.487 6.472 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 13 +ATOM 19993 H HB3 . MET A 1 50 ? 7.003 -6.225 4.891 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 13 +ATOM 19994 H HG2 . MET A 1 50 ? 6.321 -7.579 7.501 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 13 +ATOM 19995 H HG3 . MET A 1 50 ? 5.153 -6.797 6.442 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 13 +ATOM 19996 H HE1 . MET A 1 50 ? 6.224 -7.620 3.535 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 13 +ATOM 19997 H HE2 . MET A 1 50 ? 4.537 -7.646 4.041 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 13 +ATOM 19998 H HE3 . MET A 1 50 ? 5.243 -9.062 3.266 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 13 +ATOM 19999 N N . PRO A 1 51 ? 10.082 -6.487 4.185 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 13 +ATOM 20000 C CA . PRO A 1 51 ? 11.059 -5.709 3.423 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 13 +ATOM 20001 C C . PRO A 1 51 ? 10.499 -4.373 2.898 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 13 +ATOM 20002 O O . PRO A 1 51 ? 9.745 -4.341 1.899 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 13 +ATOM 20003 C CB . PRO A 1 51 ? 11.442 -6.636 2.260 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 13 +ATOM 20004 C CG . PRO A 1 51 ? 10.301 -7.577 2.129 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 13 +ATOM 20005 C CD . PRO A 1 51 ? 9.747 -7.758 3.511 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 13 +ATOM 20006 H HA . PRO A 1 51 ? 11.933 -5.501 4.022 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 13 +ATOM 20007 H HB2 . PRO A 1 51 ? 11.583 -6.055 1.362 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 13 +ATOM 20008 H HB3 . PRO A 1 51 ? 12.354 -7.165 2.495 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 13 +ATOM 20009 H HG2 . PRO A 1 51 ? 9.552 -7.150 1.478 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 13 +ATOM 20010 H HG3 . PRO A 1 51 ? 10.648 -8.521 1.736 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 13 +ATOM 20011 H HD2 . PRO A 1 51 ? 8.677 -7.899 3.467 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 13 +ATOM 20012 H HD3 . PRO A 1 51 ? 10.220 -8.594 4.005 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 13 +ATOM 20013 N N . ASP A 1 52 ? 10.812 -3.296 3.628 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 13 +ATOM 20014 C CA . ASP A 1 52 ? 10.462 -1.900 3.265 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 13 +ATOM 20015 C C . ASP A 1 52 ? 8.959 -1.708 3.158 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 13 +ATOM 20016 O O . ASP A 1 52 ? 8.497 -0.868 2.397 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 13 +ATOM 20017 C CB . ASP A 1 52 ? 11.096 -1.479 1.914 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 13 +ATOM 20018 C CG . ASP A 1 52 ? 12.599 -1.576 1.860 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 13 +ATOM 20019 O OD1 . ASP A 1 52 ? 13.300 -0.740 2.471 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 13 +ATOM 20020 O OD2 . ASP A 1 52 ? 13.118 -2.493 1.186 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 13 +ATOM 20021 H H . ASP A 1 52 ? 11.296 -3.444 4.471 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 13 +ATOM 20022 H HA . ASP A 1 52 ? 10.842 -1.250 4.038 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 13 +ATOM 20023 H HB2 . ASP A 1 52 ? 10.698 -2.108 1.134 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 13 +ATOM 20024 H HB3 . ASP A 1 52 ? 10.811 -0.457 1.707 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 13 +ATOM 20025 N N . CYS A 1 53 ? 8.192 -2.428 3.940 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 13 +ATOM 20026 C CA . CYS A 1 53 ? 6.760 -2.330 3.811 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 13 +ATOM 20027 C C . CYS A 1 53 ? 6.184 -1.427 4.882 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 13 +ATOM 20028 O O . CYS A 1 53 ? 6.623 -1.451 6.029 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 13 +ATOM 20029 C CB . CYS A 1 53 ? 6.127 -3.713 3.868 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 13 +ATOM 20030 S SG . CYS A 1 53 ? 6.785 -4.871 2.637 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 13 +ATOM 20031 H H . CYS A 1 53 ? 8.585 -2.998 4.634 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 13 +ATOM 20032 H HA . CYS A 1 53 ? 6.542 -1.891 2.851 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 13 +ATOM 20033 H HB2 . CYS A 1 53 ? 6.298 -4.138 4.845 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 13 +ATOM 20034 H HB3 . CYS A 1 53 ? 5.064 -3.623 3.700 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 13 +ATOM 20035 H HG . CYS A 1 53 ? 7.974 -4.416 2.255 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 13 +ATOM 20036 N N . TYR A 1 54 ? 5.203 -0.655 4.496 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 13 +ATOM 20037 C CA . TYR A 1 54 ? 4.551 0.306 5.352 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 13 +ATOM 20038 C C . TYR A 1 54 ? 3.055 0.120 5.198 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 13 +ATOM 20039 O O . TYR A 1 54 ? 2.597 -0.454 4.192 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 13 +ATOM 20040 C CB . TYR A 1 54 ? 4.903 1.755 4.938 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 13 +ATOM 20041 C CG . TYR A 1 54 ? 6.379 2.144 4.944 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 13 +ATOM 20042 C CD1 . TYR A 1 54 ? 7.277 1.594 4.041 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 13 +ATOM 20043 C CD2 . TYR A 1 54 ? 6.858 3.092 5.828 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 13 +ATOM 20044 C CE1 . TYR A 1 54 ? 8.602 1.970 4.023 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 13 +ATOM 20045 C CE2 . TYR A 1 54 ? 8.187 3.473 5.815 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 13 +ATOM 20046 C CZ . TYR A 1 54 ? 9.052 2.906 4.911 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 13 +ATOM 20047 O OH . TYR A 1 54 ? 10.375 3.284 4.893 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 13 +ATOM 20048 H H . TYR A 1 54 ? 4.872 -0.729 3.572 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 13 +ATOM 20049 H HA . TYR A 1 54 ? 4.849 0.137 6.376 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 13 +ATOM 20050 H HB2 . TYR A 1 54 ? 4.536 1.927 3.937 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 13 +ATOM 20051 H HB3 . TYR A 1 54 ? 4.385 2.423 5.612 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 13 +ATOM 20052 H HD1 . TYR A 1 54 ? 6.922 0.851 3.342 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 13 +ATOM 20053 H HD2 . TYR A 1 54 ? 6.179 3.539 6.539 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 13 +ATOM 20054 H HE1 . TYR A 1 54 ? 9.278 1.524 3.310 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 13 +ATOM 20055 H HE2 . TYR A 1 54 ? 8.542 4.214 6.516 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 13 +ATOM 20056 H HH . TYR A 1 54 ? 10.644 3.328 3.968 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 13 +ATOM 20057 N N . LYS A 1 55 ? 2.300 0.599 6.150 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 13 +ATOM 20058 C CA . LYS A 1 55 ? 0.858 0.483 6.109 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 13 +ATOM 20059 C C . LYS A 1 55 ? 0.185 1.819 6.376 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 13 +ATOM 20060 O O . LYS A 1 55 ? 0.703 2.661 7.123 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 13 +ATOM 20061 C CB . LYS A 1 55 ? 0.365 -0.550 7.136 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 13 +ATOM 20062 C CG . LYS A 1 55 ? 0.827 -0.258 8.558 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 13 +ATOM 20063 C CD . LYS A 1 55 ? 0.280 -1.256 9.560 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 13 +ATOM 20064 C CE . LYS A 1 55 ? 0.991 -1.108 10.892 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 13 +ATOM 20065 N NZ . LYS A 1 55 ? 0.461 -2.018 11.924 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 13 +ATOM 20066 H H . LYS A 1 55 ? 2.721 1.052 6.913 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 13 +ATOM 20067 H HA . LYS A 1 55 ? 0.578 0.140 5.124 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 13 +ATOM 20068 H HB2 . LYS A 1 55 ? -0.714 -0.566 7.126 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 13 +ATOM 20069 H HB3 . LYS A 1 55 ? 0.733 -1.525 6.853 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 13 +ATOM 20070 H HG2 . LYS A 1 55 ? 1.906 -0.281 8.592 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 13 +ATOM 20071 H HG3 . LYS A 1 55 ? 0.482 0.731 8.823 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 13 +ATOM 20072 H HD2 . LYS A 1 55 ? -0.775 -1.073 9.701 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 13 +ATOM 20073 H HD3 . LYS A 1 55 ? 0.431 -2.259 9.190 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 13 +ATOM 20074 H HE2 . LYS A 1 55 ? 2.039 -1.328 10.746 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 13 +ATOM 20075 H HE3 . LYS A 1 55 ? 0.889 -0.086 11.224 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 13 +ATOM 20076 H HZ1 . LYS A 1 55 ? 1.028 -1.926 12.793 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 13 +ATOM 20077 H HZ2 . LYS A 1 55 ? 0.474 -3.019 11.642 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 13 +ATOM 20078 H HZ3 . LYS A 1 55 ? -0.510 -1.738 12.165 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 13 +ATOM 20079 N N . ILE A 1 56 ? -0.938 2.015 5.749 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 13 +ATOM 20080 C CA . ILE A 1 56 ? -1.786 3.155 5.999 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 13 +ATOM 20081 C C . ILE A 1 56 ? -3.158 2.625 6.346 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 13 +ATOM 20082 O O . ILE A 1 56 ? -3.605 1.635 5.755 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 13 +ATOM 20083 C CB . ILE A 1 56 ? -1.898 4.120 4.767 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 13 +ATOM 20084 C CG1 . ILE A 1 56 ? -0.527 4.714 4.409 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 13 +ATOM 20085 C CG2 . ILE A 1 56 ? -2.920 5.242 5.029 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 13 +ATOM 20086 C CD1 . ILE A 1 56 ? -0.552 5.662 3.224 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 13 +ATOM 20087 H H . ILE A 1 56 ? -1.227 1.354 5.079 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 13 +ATOM 20088 H HA . ILE A 1 56 ? -1.386 3.690 6.848 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 13 +ATOM 20089 H HB . ILE A 1 56 ? -2.258 3.538 3.930 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 13 +ATOM 20090 H HG12 . ILE A 1 56 ? -0.154 5.267 5.257 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 13 +ATOM 20091 H HG13 . ILE A 1 56 ? 0.159 3.910 4.182 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 13 +ATOM 20092 H HG21 . ILE A 1 56 ? -2.963 5.903 4.177 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 13 +ATOM 20093 H HG22 . ILE A 1 56 ? -2.635 5.809 5.901 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 13 +ATOM 20094 H HG23 . ILE A 1 56 ? -3.901 4.821 5.195 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 13 +ATOM 20095 H HD11 . ILE A 1 56 ? 0.451 6.005 3.018 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 13 +ATOM 20096 H HD12 . ILE A 1 56 ? -1.172 6.512 3.466 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 13 +ATOM 20097 H HD13 . ILE A 1 56 ? -0.953 5.156 2.357 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 13 +ATOM 20098 N N . LYS A 1 57 ? -3.799 3.229 7.308 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 13 +ATOM 20099 C CA . LYS A 1 57 ? -5.129 2.840 7.661 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 13 +ATOM 20100 C C . LYS A 1 57 ? -6.080 3.972 7.347 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 13 +ATOM 20101 O O . LYS A 1 57 ? -5.816 5.139 7.678 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 13 +ATOM 20102 C CB . LYS A 1 57 ? -5.293 2.347 9.130 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 13 +ATOM 20103 C CG . LYS A 1 57 ? -4.996 3.367 10.220 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 13 +ATOM 20104 C CD . LYS A 1 57 ? -3.512 3.586 10.427 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 13 +ATOM 20105 C CE . LYS A 1 57 ? -3.289 4.777 11.303 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 13 +ATOM 20106 N NZ . LYS A 1 57 ? -1.860 5.025 11.563 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 13 +ATOM 20107 H H . LYS A 1 57 ? -3.378 3.992 7.757 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 13 +ATOM 20108 H HA . LYS A 1 57 ? -5.363 2.028 6.992 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 13 +ATOM 20109 H HB2 . LYS A 1 57 ? -6.310 2.013 9.266 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 13 +ATOM 20110 H HB3 . LYS A 1 57 ? -4.637 1.500 9.272 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 13 +ATOM 20111 H HG2 . LYS A 1 57 ? -5.449 4.308 9.945 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 13 +ATOM 20112 H HG3 . LYS A 1 57 ? -5.432 3.021 11.146 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 13 +ATOM 20113 H HD2 . LYS A 1 57 ? -3.096 2.715 10.912 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 13 +ATOM 20114 H HD3 . LYS A 1 57 ? -3.013 3.741 9.484 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 13 +ATOM 20115 H HE2 . LYS A 1 57 ? -3.710 5.621 10.777 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 13 +ATOM 20116 H HE3 . LYS A 1 57 ? -3.818 4.624 12.231 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 13 +ATOM 20117 H HZ1 . LYS A 1 57 ? -1.336 5.155 10.675 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 13 +ATOM 20118 H HZ2 . LYS A 1 57 ? -1.451 4.238 12.109 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 13 +ATOM 20119 H HZ3 . LYS A 1 57 ? -1.768 5.884 12.142 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 13 +ATOM 20120 N N . LEU A 1 58 ? -7.145 3.650 6.674 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 13 +ATOM 20121 C CA . LEU A 1 58 ? -8.119 4.622 6.294 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 13 +ATOM 20122 C C . LEU A 1 58 ? -8.993 4.977 7.468 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 13 +ATOM 20123 O O . LEU A 1 58 ? -9.952 4.252 7.809 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 13 +ATOM 20124 C CB . LEU A 1 58 ? -8.946 4.159 5.082 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 13 +ATOM 20125 C CG . LEU A 1 58 ? -9.951 5.166 4.508 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 13 +ATOM 20126 C CD1 . LEU A 1 58 ? -9.291 6.512 4.291 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 13 +ATOM 20127 C CD2 . LEU A 1 58 ? -10.498 4.631 3.196 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 13 +ATOM 20128 H H . LEU A 1 58 ? -7.267 2.705 6.424 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 13 +ATOM 20129 H HA . LEU A 1 58 ? -7.560 5.502 6.013 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 13 +ATOM 20130 H HB2 . LEU A 1 58 ? -8.257 3.892 4.296 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 13 +ATOM 20131 H HB3 . LEU A 1 58 ? -9.488 3.271 5.374 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 13 +ATOM 20132 H HG . LEU A 1 58 ? -10.792 5.353 5.154 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 13 +ATOM 20133 H HD11 . LEU A 1 58 ? -8.810 6.823 5.206 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 13 +ATOM 20134 H HD12 . LEU A 1 58 ? -10.060 7.238 4.081 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 13 +ATOM 20135 H HD13 . LEU A 1 58 ? -8.565 6.458 3.493 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 13 +ATOM 20136 H HD21 . LEU A 1 58 ? -11.243 5.313 2.814 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 13 +ATOM 20137 H HD22 . LEU A 1 58 ? -10.942 3.660 3.359 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 13 +ATOM 20138 H HD23 . LEU A 1 58 ? -9.692 4.546 2.483 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 13 +ATOM 20139 N N . ARG A 1 59 ? -8.614 6.066 8.101 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 13 +ATOM 20140 C CA . ARG A 1 59 ? -9.273 6.629 9.262 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 13 +ATOM 20141 C C . ARG A 1 59 ? -10.648 7.179 8.871 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 13 +ATOM 20142 O O . ARG A 1 59 ? -10.807 8.385 8.647 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 13 +ATOM 20143 C CB . ARG A 1 59 ? -8.390 7.749 9.837 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 13 +ATOM 20144 C CG . ARG A 1 59 ? -6.982 7.299 10.239 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 13 +ATOM 20145 C CD . ARG A 1 59 ? -6.063 8.491 10.517 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 13 +ATOM 20146 N NE . ARG A 1 59 ? -6.600 9.387 11.542 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 13 +ATOM 20147 C CZ . ARG A 1 59 ? -6.337 10.700 11.631 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 13 +ATOM 20148 N NH1 . ARG A 1 59 ? -5.404 11.258 10.860 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 13 +ATOM 20149 N NH2 . ARG A 1 59 ? -6.969 11.441 12.529 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 13 +ATOM 20150 H H . ARG A 1 59 ? -7.809 6.510 7.759 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 13 +ATOM 20151 H HA . ARG A 1 59 ? -9.388 5.855 10.007 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 13 +ATOM 20152 H HB2 . ARG A 1 59 ? -8.290 8.518 9.086 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 13 +ATOM 20153 H HB3 . ARG A 1 59 ? -8.874 8.170 10.707 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 13 +ATOM 20154 H HG2 . ARG A 1 59 ? -7.047 6.688 11.126 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 13 +ATOM 20155 H HG3 . ARG A 1 59 ? -6.566 6.714 9.432 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 13 +ATOM 20156 H HD2 . ARG A 1 59 ? -5.104 8.120 10.850 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 13 +ATOM 20157 H HD3 . ARG A 1 59 ? -5.931 9.045 9.599 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 13 +ATOM 20158 H HE . ARG A 1 59 ? -7.216 8.949 12.171 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 13 +ATOM 20159 H HH11 . ARG A 1 59 ? -4.863 10.733 10.197 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 13 +ATOM 20160 H HH12 . ARG A 1 59 ? -5.199 12.240 10.919 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 13 +ATOM 20161 H HH21 . ARG A 1 59 ? -7.648 11.082 13.172 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 13 +ATOM 20162 H HH22 . ARG A 1 59 ? -6.789 12.429 12.594 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 13 +ATOM 20163 N N . SER A 1 60 ? -11.599 6.268 8.740 1.00 0.00 ? ? ? ? ? ? 57 SER A N 13 +ATOM 20164 C CA . SER A 1 60 ? -12.963 6.534 8.318 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 13 +ATOM 20165 C C . SER A 1 60 ? -13.667 5.187 8.125 1.00 0.00 ? ? ? ? ? ? 57 SER A C 13 +ATOM 20166 O O . SER A 1 60 ? -14.744 4.951 8.659 1.00 0.00 ? ? ? ? ? ? 57 SER A O 13 +ATOM 20167 C CB . SER A 1 60 ? -12.990 7.328 6.974 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 13 +ATOM 20168 O OG . SER A 1 60 ? -14.309 7.689 6.588 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 13 +ATOM 20169 H H . SER A 1 60 ? -11.372 5.341 8.972 1.00 0.00 ? ? ? ? ? ? 57 SER A H 13 +ATOM 20170 H HA . SER A 1 60 ? -13.460 7.101 9.090 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 13 +ATOM 20171 H HB2 . SER A 1 60 ? -12.409 8.231 7.083 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 13 +ATOM 20172 H HB3 . SER A 1 60 ? -12.553 6.716 6.197 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 13 +ATOM 20173 H HG . SER A 1 60 ? -14.709 8.147 7.338 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 13 +ATOM 20174 N N . SER A 1 61 ? -13.028 4.293 7.383 1.00 0.00 ? ? ? ? ? ? 58 SER A N 13 +ATOM 20175 C CA . SER A 1 61 ? -13.633 3.015 7.061 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 13 +ATOM 20176 C C . SER A 1 61 ? -12.927 1.835 7.752 1.00 0.00 ? ? ? ? ? ? 58 SER A C 13 +ATOM 20177 O O . SER A 1 61 ? -13.533 0.790 7.965 1.00 0.00 ? ? ? ? ? ? 58 SER A O 13 +ATOM 20178 C CB . SER A 1 61 ? -13.663 2.837 5.543 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 13 +ATOM 20179 O OG . SER A 1 61 ? -14.294 3.957 4.925 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 13 +ATOM 20180 H H . SER A 1 61 ? -12.143 4.510 7.025 1.00 0.00 ? ? ? ? ? ? 58 SER A H 13 +ATOM 20181 H HA . SER A 1 61 ? -14.652 3.042 7.416 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 13 +ATOM 20182 H HB2 . SER A 1 61 ? -12.651 2.759 5.173 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 13 +ATOM 20183 H HB3 . SER A 1 61 ? -14.214 1.943 5.294 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 13 +ATOM 20184 H HG . SER A 1 61 ? -14.993 4.258 5.522 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 13 +ATOM 20185 N N . GLY A 1 62 ? -11.666 2.008 8.121 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 13 +ATOM 20186 C CA . GLY A 1 62 ? -10.949 0.927 8.788 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 13 +ATOM 20187 C C . GLY A 1 62 ? -10.233 0.014 7.812 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 13 +ATOM 20188 O O . GLY A 1 62 ? -9.879 -1.129 8.140 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 13 +ATOM 20189 H H . GLY A 1 62 ? -11.210 2.866 7.980 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 13 +ATOM 20190 H HA2 . GLY A 1 62 ? -10.222 1.353 9.465 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 13 +ATOM 20191 H HA3 . GLY A 1 62 ? -11.656 0.342 9.358 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 13 +ATOM 20192 N N . TYR A 1 63 ? -10.026 0.500 6.615 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 13 +ATOM 20193 C CA . TYR A 1 63 ? -9.308 -0.251 5.609 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 13 +ATOM 20194 C C . TYR A 1 63 ? -7.833 0.012 5.721 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 13 +ATOM 20195 O O . TYR A 1 63 ? -7.426 1.067 6.173 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 13 +ATOM 20196 C CB . TYR A 1 63 ? -9.824 0.058 4.200 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 13 +ATOM 20197 C CG . TYR A 1 63 ? -11.094 -0.677 3.856 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 13 +ATOM 20198 C CD1 . TYR A 1 63 ? -12.309 -0.331 4.429 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 13 +ATOM 20199 C CD2 . TYR A 1 63 ? -11.072 -1.732 2.959 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 13 +ATOM 20200 C CE1 . TYR A 1 63 ? -13.462 -1.018 4.116 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 13 +ATOM 20201 C CE2 . TYR A 1 63 ? -12.216 -2.420 2.639 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 13 +ATOM 20202 C CZ . TYR A 1 63 ? -13.405 -2.062 3.219 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 13 +ATOM 20203 O OH . TYR A 1 63 ? -14.538 -2.755 2.912 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 13 +ATOM 20204 H H . TYR A 1 63 ? -10.345 1.401 6.409 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 13 +ATOM 20205 H HA . TYR A 1 63 ? -9.476 -1.298 5.818 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 13 +ATOM 20206 H HB2 . TYR A 1 63 ? -10.031 1.115 4.118 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 13 +ATOM 20207 H HB3 . TYR A 1 63 ? -9.069 -0.216 3.477 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 13 +ATOM 20208 H HD1 . TYR A 1 63 ? -12.344 0.490 5.130 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 13 +ATOM 20209 H HD2 . TYR A 1 63 ? -10.132 -2.013 2.505 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 13 +ATOM 20210 H HE1 . TYR A 1 63 ? -14.401 -0.740 4.569 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 13 +ATOM 20211 H HE2 . TYR A 1 63 ? -12.178 -3.239 1.937 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 13 +ATOM 20212 H HH . TYR A 1 63 ? -15.214 -2.105 2.688 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 13 +ATOM 20213 N N . ARG A 1 64 ? -7.045 -0.950 5.357 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 13 +ATOM 20214 C CA . ARG A 1 64 ? -5.613 -0.844 5.420 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 13 +ATOM 20215 C C . ARG A 1 64 ? -5.025 -1.093 4.061 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 13 +ATOM 20216 O O . ARG A 1 64 ? -5.572 -1.860 3.256 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 13 +ATOM 20217 C CB . ARG A 1 64 ? -4.981 -1.824 6.434 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 13 +ATOM 20218 C CG . ARG A 1 64 ? -5.086 -1.443 7.916 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 13 +ATOM 20219 C CD . ARG A 1 64 ? -6.505 -1.480 8.468 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 13 +ATOM 20220 N NE . ARG A 1 64 ? -6.506 -1.191 9.902 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 13 +ATOM 20221 C CZ . ARG A 1 64 ? -7.392 -1.636 10.793 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 13 +ATOM 20222 N NH1 . ARG A 1 64 ? -8.544 -2.168 10.396 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 13 +ATOM 20223 N NH2 . ARG A 1 64 ? -7.158 -1.463 12.085 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 13 +ATOM 20224 H H . ARG A 1 64 ? -7.416 -1.773 4.964 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 13 +ATOM 20225 H HA . ARG A 1 64 ? -5.373 0.165 5.717 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 13 +ATOM 20226 H HB2 . ARG A 1 64 ? -5.460 -2.785 6.313 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 13 +ATOM 20227 H HB3 . ARG A 1 64 ? -3.936 -1.935 6.184 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 13 +ATOM 20228 H HG2 . ARG A 1 64 ? -4.486 -2.130 8.493 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 13 +ATOM 20229 H HG3 . ARG A 1 64 ? -4.688 -0.446 8.038 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 13 +ATOM 20230 H HD2 . ARG A 1 64 ? -7.101 -0.738 7.954 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 13 +ATOM 20231 H HD3 . ARG A 1 64 ? -6.926 -2.461 8.304 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 13 +ATOM 20232 H HE . ARG A 1 64 ? -5.725 -0.673 10.209 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 13 +ATOM 20233 H HH11 . ARG A 1 64 ? -8.795 -2.232 9.428 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 13 +ATOM 20234 H HH12 . ARG A 1 64 ? -9.211 -2.548 11.043 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 13 +ATOM 20235 H HH21 . ARG A 1 64 ? -6.326 -0.998 12.400 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 13 +ATOM 20236 H HH22 . ARG A 1 64 ? -7.788 -1.803 12.787 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 13 +ATOM 20237 N N . LEU A 1 65 ? -3.948 -0.448 3.800 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 13 +ATOM 20238 C CA . LEU A 1 65 ? -3.253 -0.595 2.567 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 13 +ATOM 20239 C C . LEU A 1 65 ? -1.782 -0.798 2.892 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 13 +ATOM 20240 O O . LEU A 1 65 ? -1.209 -0.039 3.687 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 13 +ATOM 20241 C CB . LEU A 1 65 ? -3.529 0.650 1.683 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 13 +ATOM 20242 C CG . LEU A 1 65 ? -2.977 0.662 0.248 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 13 +ATOM 20243 C CD1 . LEU A 1 65 ? -3.704 1.703 -0.572 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 13 +ATOM 20244 C CD2 . LEU A 1 65 ? -1.509 0.994 0.242 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 13 +ATOM 20245 H H . LEU A 1 65 ? -3.586 0.173 4.470 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 13 +ATOM 20246 H HA . LEU A 1 65 ? -3.629 -1.480 2.075 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 13 +ATOM 20247 H HB2 . LEU A 1 65 ? -4.599 0.773 1.621 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 13 +ATOM 20248 H HB3 . LEU A 1 65 ? -3.130 1.509 2.203 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 13 +ATOM 20249 H HG . LEU A 1 65 ? -3.115 -0.307 -0.209 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 13 +ATOM 20250 H HD11 . LEU A 1 65 ? -3.290 1.717 -1.569 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 13 +ATOM 20251 H HD12 . LEU A 1 65 ? -3.585 2.673 -0.112 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 13 +ATOM 20252 H HD13 . LEU A 1 65 ? -4.752 1.448 -0.621 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 13 +ATOM 20253 H HD21 . LEU A 1 65 ? -0.962 0.236 0.786 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 13 +ATOM 20254 H HD22 . LEU A 1 65 ? -1.373 1.950 0.728 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 13 +ATOM 20255 H HD23 . LEU A 1 65 ? -1.153 1.048 -0.775 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 13 +ATOM 20256 N N . VAL A 1 66 ? -1.199 -1.832 2.323 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 13 +ATOM 20257 C CA . VAL A 1 66 ? 0.180 -2.195 2.578 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 13 +ATOM 20258 C C . VAL A 1 66 ? 0.999 -2.067 1.302 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 13 +ATOM 20259 O O . VAL A 1 66 ? 0.645 -2.636 0.247 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 13 +ATOM 20260 C CB . VAL A 1 66 ? 0.292 -3.645 3.138 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 13 +ATOM 20261 C CG1 . VAL A 1 66 ? 1.746 -4.063 3.315 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 13 +ATOM 20262 C CG2 . VAL A 1 66 ? -0.437 -3.755 4.464 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 13 +ATOM 20263 H H . VAL A 1 66 ? -1.701 -2.377 1.674 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 13 +ATOM 20264 H HA . VAL A 1 66 ? 0.573 -1.508 3.314 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 13 +ATOM 20265 H HB . VAL A 1 66 ? -0.177 -4.320 2.438 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 13 +ATOM 20266 H HG11 . VAL A 1 66 ? 2.247 -4.061 2.358 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 13 +ATOM 20267 H HG12 . VAL A 1 66 ? 1.783 -5.054 3.746 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 13 +ATOM 20268 H HG13 . VAL A 1 66 ? 2.238 -3.369 3.980 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 13 +ATOM 20269 H HG21 . VAL A 1 66 ? -1.479 -3.509 4.322 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 13 +ATOM 20270 H HG22 . VAL A 1 66 ? 0.001 -3.069 5.173 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 13 +ATOM 20271 H HG23 . VAL A 1 66 ? -0.351 -4.763 4.839 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 13 +ATOM 20272 N N . TYR A 1 67 ? 2.074 -1.342 1.393 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 13 +ATOM 20273 C CA . TYR A 1 67 ? 2.928 -1.102 0.265 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 13 +ATOM 20274 C C . TYR A 1 67 ? 4.382 -1.201 0.664 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 13 +ATOM 20275 O O . TYR A 1 67 ? 4.705 -1.101 1.838 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 13 +ATOM 20276 C CB . TYR A 1 67 ? 2.628 0.275 -0.374 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 13 +ATOM 20277 C CG . TYR A 1 67 ? 2.711 1.475 0.556 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 13 +ATOM 20278 C CD1 . TYR A 1 67 ? 3.913 1.903 1.100 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 13 +ATOM 20279 C CD2 . TYR A 1 67 ? 1.582 2.195 0.852 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 13 +ATOM 20280 C CE1 . TYR A 1 67 ? 3.968 3.005 1.915 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 13 +ATOM 20281 C CE2 . TYR A 1 67 ? 1.628 3.292 1.663 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 13 +ATOM 20282 C CZ . TYR A 1 67 ? 2.826 3.695 2.195 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 13 +ATOM 20283 O OH . TYR A 1 67 ? 2.878 4.785 3.014 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 13 +ATOM 20284 H H . TYR A 1 67 ? 2.324 -0.966 2.268 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 13 +ATOM 20285 H HA . TYR A 1 67 ? 2.722 -1.868 -0.466 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 13 +ATOM 20286 H HB2 . TYR A 1 67 ? 3.301 0.456 -1.197 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 13 +ATOM 20287 H HB3 . TYR A 1 67 ? 1.620 0.246 -0.761 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 13 +ATOM 20288 H HD1 . TYR A 1 67 ? 4.815 1.351 0.880 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 13 +ATOM 20289 H HD2 . TYR A 1 67 ? 0.639 1.880 0.433 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 13 +ATOM 20290 H HE1 . TYR A 1 67 ? 4.914 3.324 2.326 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 13 +ATOM 20291 H HE2 . TYR A 1 67 ? 0.716 3.831 1.870 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 13 +ATOM 20292 H HH . TYR A 1 67 ? 2.155 4.734 3.645 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 13 +ATOM 20293 N N . GLN A 1 68 ? 5.231 -1.429 -0.290 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 13 +ATOM 20294 C CA . GLN A 1 68 ? 6.649 -1.430 -0.061 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 13 +ATOM 20295 C C . GLN A 1 68 ? 7.251 -0.202 -0.707 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 13 +ATOM 20296 O O . GLN A 1 68 ? 6.942 0.118 -1.857 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 13 +ATOM 20297 C CB . GLN A 1 68 ? 7.325 -2.721 -0.575 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 13 +ATOM 20298 C CG . GLN A 1 68 ? 7.064 -3.037 -2.046 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 13 +ATOM 20299 C CD . GLN A 1 68 ? 7.791 -4.280 -2.548 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 13 +ATOM 20300 O OE1 . GLN A 1 68 ? 8.117 -4.382 -3.729 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 13 +ATOM 20301 N NE2 . GLN A 1 68 ? 8.057 -5.223 -1.673 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 13 +ATOM 20302 H H . GLN A 1 68 ? 4.897 -1.578 -1.204 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 13 +ATOM 20303 H HA . GLN A 1 68 ? 6.806 -1.344 1.003 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 13 +ATOM 20304 H HB2 . GLN A 1 68 ? 8.392 -2.625 -0.439 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 13 +ATOM 20305 H HB3 . GLN A 1 68 ? 6.975 -3.550 0.020 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 13 +ATOM 20306 H HG2 . GLN A 1 68 ? 6.003 -3.179 -2.189 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 13 +ATOM 20307 H HG3 . GLN A 1 68 ? 7.390 -2.189 -2.629 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 13 +ATOM 20308 H HE21 . GLN A 1 68 ? 7.782 -5.098 -0.743 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 13 +ATOM 20309 H HE22 . GLN A 1 68 ? 8.532 -6.013 -2.008 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 13 +ATOM 20310 N N . VAL A 1 69 ? 8.041 0.512 0.027 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 13 +ATOM 20311 C CA . VAL A 1 69 ? 8.684 1.672 -0.511 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 13 +ATOM 20312 C C . VAL A 1 69 ? 10.084 1.288 -0.878 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 13 +ATOM 20313 O O . VAL A 1 69 ? 10.925 1.041 -0.011 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 13 +ATOM 20314 C CB . VAL A 1 69 ? 8.712 2.849 0.500 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 13 +ATOM 20315 C CG1 . VAL A 1 69 ? 9.434 4.058 -0.074 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 13 +ATOM 20316 C CG2 . VAL A 1 69 ? 7.311 3.237 0.912 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 13 +ATOM 20317 H H . VAL A 1 69 ? 8.228 0.229 0.951 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 13 +ATOM 20318 H HA . VAL A 1 69 ? 8.153 1.975 -1.401 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 13 +ATOM 20319 H HB . VAL A 1 69 ? 9.243 2.523 1.382 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 13 +ATOM 20320 H HG11 . VAL A 1 69 ? 8.934 4.386 -0.972 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 13 +ATOM 20321 H HG12 . VAL A 1 69 ? 10.452 3.789 -0.310 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 13 +ATOM 20322 H HG13 . VAL A 1 69 ? 9.432 4.858 0.652 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 13 +ATOM 20323 H HG21 . VAL A 1 69 ? 7.360 4.048 1.624 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 13 +ATOM 20324 H HG22 . VAL A 1 69 ? 6.827 2.386 1.367 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 13 +ATOM 20325 H HG23 . VAL A 1 69 ? 6.747 3.549 0.048 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 13 +ATOM 20326 N N . ILE A 1 70 ? 10.342 1.248 -2.142 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 13 +ATOM 20327 C CA . ILE A 1 70 ? 11.624 0.865 -2.621 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 13 +ATOM 20328 C C . ILE A 1 70 ? 12.379 2.127 -2.941 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 13 +ATOM 20329 O O . ILE A 1 70 ? 12.137 2.755 -3.972 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 13 +ATOM 20330 C CB . ILE A 1 70 ? 11.515 -0.007 -3.896 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 13 +ATOM 20331 C CG1 . ILE A 1 70 ? 10.493 -1.139 -3.683 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 13 +ATOM 20332 C CG2 . ILE A 1 70 ? 12.887 -0.600 -4.230 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 13 +ATOM 20333 C CD1 . ILE A 1 70 ? 10.183 -1.935 -4.935 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 13 +ATOM 20334 H H . ILE A 1 70 ? 9.644 1.501 -2.789 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 13 +ATOM 20335 H HA . ILE A 1 70 ? 12.135 0.312 -1.848 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 13 +ATOM 20336 H HB . ILE A 1 70 ? 11.193 0.615 -4.718 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 13 +ATOM 20337 H HG12 . ILE A 1 70 ? 10.876 -1.827 -2.944 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 13 +ATOM 20338 H HG13 . ILE A 1 70 ? 9.570 -0.711 -3.322 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 13 +ATOM 20339 H HG21 . ILE A 1 70 ? 13.595 0.199 -4.395 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 13 +ATOM 20340 H HG22 . ILE A 1 70 ? 12.812 -1.208 -5.120 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 13 +ATOM 20341 H HG23 . ILE A 1 70 ? 13.223 -1.214 -3.408 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 13 +ATOM 20342 H HD11 . ILE A 1 70 ? 9.474 -2.715 -4.700 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 13 +ATOM 20343 H HD12 . ILE A 1 70 ? 11.093 -2.373 -5.316 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 13 +ATOM 20344 H HD13 . ILE A 1 70 ? 9.762 -1.279 -5.682 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 13 +ATOM 20345 N N . ASP A 1 71 ? 13.252 2.518 -2.047 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 13 +ATOM 20346 C CA . ASP A 1 71 ? 14.031 3.736 -2.181 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 13 +ATOM 20347 C C . ASP A 1 71 ? 14.956 3.682 -3.371 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 13 +ATOM 20348 O O . ASP A 1 71 ? 15.177 4.703 -4.036 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 13 +ATOM 20349 C CB . ASP A 1 71 ? 14.843 4.027 -0.920 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 13 +ATOM 20350 C CG . ASP A 1 71 ? 14.017 4.522 0.241 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 13 +ATOM 20351 O OD1 . ASP A 1 71 ? 13.733 5.750 0.299 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 13 +ATOM 20352 O OD2 . ASP A 1 71 ? 13.664 3.710 1.135 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 13 +ATOM 20353 H H . ASP A 1 71 ? 13.401 1.961 -1.254 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 13 +ATOM 20354 H HA . ASP A 1 71 ? 13.336 4.549 -2.329 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 13 +ATOM 20355 H HB2 . ASP A 1 71 ? 15.351 3.125 -0.615 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 13 +ATOM 20356 H HB3 . ASP A 1 71 ? 15.580 4.772 -1.166 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 13 +ATOM 20357 N N . GLU A 1 72 ? 15.476 2.493 -3.663 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 13 +ATOM 20358 C CA . GLU A 1 72 ? 16.391 2.303 -4.789 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 13 +ATOM 20359 C C . GLU A 1 72 ? 15.706 2.578 -6.120 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 13 +ATOM 20360 O O . GLU A 1 72 ? 16.307 3.132 -7.033 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 13 +ATOM 20361 C CB . GLU A 1 72 ? 16.978 0.892 -4.807 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 13 +ATOM 20362 C CG . GLU A 1 72 ? 17.751 0.523 -3.563 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 13 +ATOM 20363 C CD . GLU A 1 72 ? 18.484 -0.785 -3.706 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 13 +ATOM 20364 O OE1 . GLU A 1 72 ? 17.861 -1.849 -3.602 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 13 +ATOM 20365 O OE2 . GLU A 1 72 ? 19.718 -0.757 -3.934 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 13 +ATOM 20366 H H . GLU A 1 72 ? 15.258 1.734 -3.076 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 13 +ATOM 20367 H HA . GLU A 1 72 ? 17.199 3.009 -4.674 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 13 +ATOM 20368 H HB2 . GLU A 1 72 ? 16.172 0.182 -4.919 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 13 +ATOM 20369 H HB3 . GLU A 1 72 ? 17.639 0.804 -5.657 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 13 +ATOM 20370 H HG2 . GLU A 1 72 ? 18.469 1.303 -3.365 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 13 +ATOM 20371 H HG3 . GLU A 1 72 ? 17.071 0.452 -2.729 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 13 +ATOM 20372 N N . LYS A 1 73 ? 14.450 2.205 -6.214 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 13 +ATOM 20373 C CA . LYS A 1 73 ? 13.694 2.374 -7.448 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 13 +ATOM 20374 C C . LYS A 1 73 ? 12.834 3.633 -7.379 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 13 +ATOM 20375 O O . LYS A 1 73 ? 12.212 4.030 -8.361 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 13 +ATOM 20376 C CB . LYS A 1 73 ? 12.825 1.138 -7.695 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 13 +ATOM 20377 C CG . LYS A 1 73 ? 13.611 -0.157 -7.838 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 13 +ATOM 20378 C CD . LYS A 1 73 ? 12.684 -1.356 -7.997 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 13 +ATOM 20379 C CE . LYS A 1 73 ? 13.469 -2.659 -8.091 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 13 +ATOM 20380 N NZ . LYS A 1 73 ? 12.582 -3.834 -8.259 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 13 +ATOM 20381 H H . LYS A 1 73 ? 14.017 1.812 -5.428 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 13 +ATOM 20382 H HA . LYS A 1 73 ? 14.400 2.475 -8.259 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 13 +ATOM 20383 H HB2 . LYS A 1 73 ? 12.164 1.021 -6.849 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 13 +ATOM 20384 H HB3 . LYS A 1 73 ? 12.239 1.284 -8.589 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 13 +ATOM 20385 H HG2 . LYS A 1 73 ? 14.244 -0.088 -8.711 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 13 +ATOM 20386 H HG3 . LYS A 1 73 ? 14.221 -0.295 -6.958 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 13 +ATOM 20387 H HD2 . LYS A 1 73 ? 12.018 -1.402 -7.148 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 13 +ATOM 20388 H HD3 . LYS A 1 73 ? 12.104 -1.227 -8.898 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 13 +ATOM 20389 H HE2 . LYS A 1 73 ? 14.151 -2.602 -8.925 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 13 +ATOM 20390 H HE3 . LYS A 1 73 ? 14.039 -2.778 -7.181 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 13 +ATOM 20391 H HZ1 . LYS A 1 73 ? 13.148 -4.687 -8.448 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 13 +ATOM 20392 H HZ2 . LYS A 1 73 ? 11.908 -3.722 -9.040 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 13 +ATOM 20393 H HZ3 . LYS A 1 73 ? 12.048 -4.019 -7.385 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 13 +ATOM 20394 N N . VAL A 1 74 ? 12.815 4.247 -6.188 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 13 +ATOM 20395 C CA . VAL A 1 74 ? 12.083 5.495 -5.891 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 13 +ATOM 20396 C C . VAL A 1 74 ? 10.556 5.280 -6.110 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 13 +ATOM 20397 O O . VAL A 1 74 ? 9.798 6.197 -6.416 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 13 +ATOM 20398 C CB . VAL A 1 74 ? 12.639 6.699 -6.750 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 13 +ATOM 20399 C CG1 . VAL A 1 74 ? 12.093 8.049 -6.278 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 13 +ATOM 20400 C CG2 . VAL A 1 74 ? 14.163 6.721 -6.716 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 13 +ATOM 20401 H H . VAL A 1 74 ? 13.321 3.830 -5.460 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 13 +ATOM 20402 H HA . VAL A 1 74 ? 12.239 5.701 -4.841 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 13 +ATOM 20403 H HB . VAL A 1 74 ? 12.329 6.550 -7.774 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 13 +ATOM 20404 H HG11 . VAL A 1 74 ? 12.510 8.836 -6.887 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 13 +ATOM 20405 H HG12 . VAL A 1 74 ? 12.365 8.209 -5.245 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 13 +ATOM 20406 H HG13 . VAL A 1 74 ? 11.018 8.051 -6.373 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 13 +ATOM 20407 H HG21 . VAL A 1 74 ? 14.524 7.538 -7.322 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 13 +ATOM 20408 H HG22 . VAL A 1 74 ? 14.544 5.787 -7.102 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 13 +ATOM 20409 H HG23 . VAL A 1 74 ? 14.495 6.852 -5.697 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 13 +ATOM 20410 N N . VAL A 1 75 ? 10.102 4.084 -5.850 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 13 +ATOM 20411 C CA . VAL A 1 75 ? 8.723 3.758 -6.101 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 13 +ATOM 20412 C C . VAL A 1 75 ? 8.080 3.116 -4.881 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 13 +ATOM 20413 O O . VAL A 1 75 ? 8.707 2.326 -4.159 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 13 +ATOM 20414 C CB . VAL A 1 75 ? 8.551 2.843 -7.375 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 13 +ATOM 20415 C CG1 . VAL A 1 75 ? 9.248 1.505 -7.212 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 13 +ATOM 20416 C CG2 . VAL A 1 75 ? 7.080 2.638 -7.741 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 13 +ATOM 20417 H H . VAL A 1 75 ? 10.690 3.419 -5.433 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 13 +ATOM 20418 H HA . VAL A 1 75 ? 8.210 4.691 -6.288 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 13 +ATOM 20419 H HB . VAL A 1 75 ? 9.036 3.349 -8.198 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 13 +ATOM 20420 H HG11 . VAL A 1 75 ? 10.300 1.677 -7.052 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 13 +ATOM 20421 H HG12 . VAL A 1 75 ? 9.106 0.918 -8.107 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 13 +ATOM 20422 H HG13 . VAL A 1 75 ? 8.832 0.983 -6.363 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 13 +ATOM 20423 H HG21 . VAL A 1 75 ? 6.620 3.591 -7.952 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 13 +ATOM 20424 H HG22 . VAL A 1 75 ? 6.568 2.171 -6.913 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 13 +ATOM 20425 H HG23 . VAL A 1 75 ? 7.011 2.002 -8.611 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 13 +ATOM 20426 N N . VAL A 1 76 ? 6.877 3.518 -4.633 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 13 +ATOM 20427 C CA . VAL A 1 76 ? 6.047 2.962 -3.627 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 13 +ATOM 20428 C C . VAL A 1 76 ? 5.150 1.959 -4.332 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 13 +ATOM 20429 O O . VAL A 1 76 ? 4.344 2.322 -5.201 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 13 +ATOM 20430 C CB . VAL A 1 76 ? 5.187 4.065 -2.960 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 13 +ATOM 20431 C CG1 . VAL A 1 76 ? 4.294 3.492 -1.887 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 13 +ATOM 20432 C CG2 . VAL A 1 76 ? 6.063 5.169 -2.391 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 13 +ATOM 20433 H H . VAL A 1 76 ? 6.492 4.243 -5.172 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 13 +ATOM 20434 H HA . VAL A 1 76 ? 6.654 2.464 -2.887 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 13 +ATOM 20435 H HB . VAL A 1 76 ? 4.563 4.498 -3.728 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 13 +ATOM 20436 H HG11 . VAL A 1 76 ? 4.896 3.018 -1.126 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 13 +ATOM 20437 H HG12 . VAL A 1 76 ? 3.629 2.762 -2.326 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 13 +ATOM 20438 H HG13 . VAL A 1 76 ? 3.710 4.283 -1.441 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 13 +ATOM 20439 H HG21 . VAL A 1 76 ? 5.444 5.910 -1.906 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 13 +ATOM 20440 H HG22 . VAL A 1 76 ? 6.611 5.636 -3.196 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 13 +ATOM 20441 H HG23 . VAL A 1 76 ? 6.760 4.755 -1.679 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 13 +ATOM 20442 N N . PHE A 1 77 ? 5.315 0.728 -3.999 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 13 +ATOM 20443 C CA . PHE A 1 77 ? 4.629 -0.337 -4.662 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 13 +ATOM 20444 C C . PHE A 1 77 ? 3.610 -0.961 -3.723 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 13 +ATOM 20445 O O . PHE A 1 77 ? 3.974 -1.590 -2.730 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 13 +ATOM 20446 C CB . PHE A 1 77 ? 5.673 -1.360 -5.126 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 13 +ATOM 20447 C CG . PHE A 1 77 ? 5.151 -2.506 -5.931 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 13 +ATOM 20448 C CD1 . PHE A 1 77 ? 4.757 -2.319 -7.241 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 13 +ATOM 20449 C CD2 . PHE A 1 77 ? 5.091 -3.778 -5.391 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 13 +ATOM 20450 C CE1 . PHE A 1 77 ? 4.310 -3.376 -7.998 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 13 +ATOM 20451 C CE2 . PHE A 1 77 ? 4.642 -4.837 -6.140 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 13 +ATOM 20452 C CZ . PHE A 1 77 ? 4.251 -4.636 -7.447 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 13 +ATOM 20453 H H . PHE A 1 77 ? 5.928 0.511 -3.262 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 13 +ATOM 20454 H HA . PHE A 1 77 ? 4.126 0.062 -5.530 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 13 +ATOM 20455 H HB2 . PHE A 1 77 ? 6.410 -0.855 -5.732 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 13 +ATOM 20456 H HB3 . PHE A 1 77 ? 6.165 -1.761 -4.254 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 13 +ATOM 20457 H HD1 . PHE A 1 77 ? 4.800 -1.330 -7.671 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 13 +ATOM 20458 H HD2 . PHE A 1 77 ? 5.397 -3.935 -4.367 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 13 +ATOM 20459 H HE1 . PHE A 1 77 ? 4.004 -3.216 -9.021 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 13 +ATOM 20460 H HE2 . PHE A 1 77 ? 4.595 -5.823 -5.705 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 13 +ATOM 20461 H HZ . PHE A 1 77 ? 3.901 -5.469 -8.040 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 13 +ATOM 20462 N N . VAL A 1 78 ? 2.348 -0.754 -4.019 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 13 +ATOM 20463 C CA . VAL A 1 78 ? 1.262 -1.280 -3.212 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 13 +ATOM 20464 C C . VAL A 1 78 ? 1.134 -2.760 -3.467 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 13 +ATOM 20465 O O . VAL A 1 78 ? 0.925 -3.175 -4.596 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 13 +ATOM 20466 C CB . VAL A 1 78 ? -0.082 -0.572 -3.526 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 13 +ATOM 20467 C CG1 . VAL A 1 78 ? -1.213 -1.117 -2.654 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 13 +ATOM 20468 C CG2 . VAL A 1 78 ? 0.053 0.934 -3.354 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 13 +ATOM 20469 H H . VAL A 1 78 ? 2.144 -0.246 -4.838 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 13 +ATOM 20470 H HA . VAL A 1 78 ? 1.509 -1.132 -2.173 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 13 +ATOM 20471 H HB . VAL A 1 78 ? -0.334 -0.775 -4.556 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 13 +ATOM 20472 H HG11 . VAL A 1 78 ? -1.337 -2.173 -2.848 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 13 +ATOM 20473 H HG12 . VAL A 1 78 ? -2.136 -0.601 -2.875 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 13 +ATOM 20474 H HG13 . VAL A 1 78 ? -0.965 -0.979 -1.613 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 13 +ATOM 20475 H HG21 . VAL A 1 78 ? 0.361 1.162 -2.344 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 13 +ATOM 20476 H HG22 . VAL A 1 78 ? -0.896 1.406 -3.557 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 13 +ATOM 20477 H HG23 . VAL A 1 78 ? 0.793 1.306 -4.048 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 13 +ATOM 20478 N N . ILE A 1 79 ? 1.253 -3.540 -2.428 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 13 +ATOM 20479 C CA . ILE A 1 79 ? 1.238 -4.977 -2.571 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 13 +ATOM 20480 C C . ILE A 1 79 ? -0.150 -5.522 -2.263 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 13 +ATOM 20481 O O . ILE A 1 79 ? -0.663 -6.408 -2.952 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 13 +ATOM 20482 C CB . ILE A 1 79 ? 2.245 -5.649 -1.601 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 13 +ATOM 20483 C CG1 . ILE A 1 79 ? 3.627 -4.995 -1.700 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 13 +ATOM 20484 C CG2 . ILE A 1 79 ? 2.358 -7.135 -1.922 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 13 +ATOM 20485 C CD1 . ILE A 1 79 ? 4.623 -5.533 -0.689 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 13 +ATOM 20486 H H . ILE A 1 79 ? 1.340 -3.146 -1.533 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 13 +ATOM 20487 H HA . ILE A 1 79 ? 1.514 -5.232 -3.583 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 13 +ATOM 20488 H HB . ILE A 1 79 ? 1.871 -5.543 -0.594 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 13 +ATOM 20489 H HG12 . ILE A 1 79 ? 4.032 -5.168 -2.685 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 13 +ATOM 20490 H HG13 . ILE A 1 79 ? 3.526 -3.931 -1.536 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 13 +ATOM 20491 H HG21 . ILE A 1 79 ? 2.686 -7.255 -2.943 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 13 +ATOM 20492 H HG22 . ILE A 1 79 ? 1.395 -7.608 -1.800 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 13 +ATOM 20493 H HG23 . ILE A 1 79 ? 3.079 -7.591 -1.260 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 13 +ATOM 20494 H HD11 . ILE A 1 79 ? 4.741 -6.597 -0.830 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 13 +ATOM 20495 H HD12 . ILE A 1 79 ? 4.264 -5.339 0.312 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 13 +ATOM 20496 H HD13 . ILE A 1 79 ? 5.576 -5.045 -0.827 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 13 +ATOM 20497 N N . SER A 1 80 ? -0.763 -4.996 -1.230 1.00 0.00 ? ? ? ? ? ? 77 SER A N 13 +ATOM 20498 C CA . SER A 1 80 ? -2.042 -5.490 -0.790 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 13 +ATOM 20499 C C . SER A 1 80 ? -2.894 -4.363 -0.243 1.00 0.00 ? ? ? ? ? ? 77 SER A C 13 +ATOM 20500 O O . SER A 1 80 ? -2.371 -3.372 0.283 1.00 0.00 ? ? ? ? ? ? 77 SER A O 13 +ATOM 20501 C CB . SER A 1 80 ? -1.828 -6.559 0.274 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 13 +ATOM 20502 O OG . SER A 1 80 ? -1.010 -7.592 -0.235 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 13 +ATOM 20503 H H . SER A 1 80 ? -0.367 -4.247 -0.735 1.00 0.00 ? ? ? ? ? ? 77 SER A H 13 +ATOM 20504 H HA . SER A 1 80 ? -2.541 -5.942 -1.633 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 13 +ATOM 20505 H HB2 . SER A 1 80 ? -1.342 -6.118 1.132 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 13 +ATOM 20506 H HB3 . SER A 1 80 ? -2.780 -6.977 0.566 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 13 +ATOM 20507 H HG . SER A 1 80 ? -0.841 -7.400 -1.166 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 13 +ATOM 20508 N N . VAL A 1 81 ? -4.185 -4.503 -0.381 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 13 +ATOM 20509 C CA . VAL A 1 81 ? -5.118 -3.520 0.085 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 13 +ATOM 20510 C C . VAL A 1 81 ? -6.422 -4.226 0.493 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 13 +ATOM 20511 O O . VAL A 1 81 ? -6.767 -5.267 -0.082 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 13 +ATOM 20512 C CB . VAL A 1 81 ? -5.369 -2.439 -1.020 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 13 +ATOM 20513 C CG1 . VAL A 1 81 ? -6.014 -3.022 -2.266 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 13 +ATOM 20514 C CG2 . VAL A 1 81 ? -6.166 -1.278 -0.491 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 13 +ATOM 20515 H H . VAL A 1 81 ? -4.566 -5.304 -0.799 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 13 +ATOM 20516 H HA . VAL A 1 81 ? -4.692 -3.046 0.956 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 13 +ATOM 20517 H HB . VAL A 1 81 ? -4.397 -2.072 -1.317 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 13 +ATOM 20518 H HG11 . VAL A 1 81 ? -6.168 -2.239 -2.993 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 13 +ATOM 20519 H HG12 . VAL A 1 81 ? -6.966 -3.462 -2.007 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 13 +ATOM 20520 H HG13 . VAL A 1 81 ? -5.369 -3.781 -2.685 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 13 +ATOM 20521 H HG21 . VAL A 1 81 ? -5.626 -0.822 0.325 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 13 +ATOM 20522 H HG22 . VAL A 1 81 ? -7.129 -1.624 -0.143 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 13 +ATOM 20523 H HG23 . VAL A 1 81 ? -6.302 -0.550 -1.277 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 13 +ATOM 20524 N N . GLY A 1 82 ? -7.085 -3.715 1.509 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 13 +ATOM 20525 C CA . GLY A 1 82 ? -8.338 -4.283 1.956 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 13 +ATOM 20526 C C . GLY A 1 82 ? -8.508 -4.069 3.434 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 13 +ATOM 20527 O O . GLY A 1 82 ? -8.098 -3.044 3.953 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 13 +ATOM 20528 H H . GLY A 1 82 ? -6.718 -2.949 2.008 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 13 +ATOM 20529 H HA2 . GLY A 1 82 ? -9.152 -3.807 1.427 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 13 +ATOM 20530 H HA3 . GLY A 1 82 ? -8.353 -5.342 1.750 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 13 +ATOM 20531 N N . LYS A 1 83 ? -9.103 -4.998 4.123 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 13 +ATOM 20532 C CA . LYS A 1 83 ? -9.219 -4.872 5.554 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 13 +ATOM 20533 C C . LYS A 1 83 ? -8.136 -5.680 6.216 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 13 +ATOM 20534 O O . LYS A 1 83 ? -7.535 -6.564 5.597 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 13 +ATOM 20535 C CB . LYS A 1 83 ? -10.578 -5.321 6.081 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 13 +ATOM 20536 C CG . LYS A 1 83 ? -11.768 -4.559 5.517 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 13 +ATOM 20537 C CD . LYS A 1 83 ? -13.055 -4.902 6.264 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 13 +ATOM 20538 C CE . LYS A 1 83 ? -13.334 -6.401 6.285 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 13 +ATOM 20539 N NZ . LYS A 1 83 ? -13.532 -6.965 4.934 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 13 +ATOM 20540 H H . LYS A 1 83 ? -9.455 -5.794 3.671 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 13 +ATOM 20541 H HA . LYS A 1 83 ? -9.068 -3.831 5.799 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 13 +ATOM 20542 H HB2 . LYS A 1 83 ? -10.703 -6.364 5.832 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 13 +ATOM 20543 H HB3 . LYS A 1 83 ? -10.585 -5.218 7.155 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 13 +ATOM 20544 H HG2 . LYS A 1 83 ? -11.580 -3.500 5.610 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 13 +ATOM 20545 H HG3 . LYS A 1 83 ? -11.888 -4.815 4.474 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 13 +ATOM 20546 H HD2 . LYS A 1 83 ? -12.973 -4.550 7.281 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 13 +ATOM 20547 H HD3 . LYS A 1 83 ? -13.878 -4.398 5.778 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 13 +ATOM 20548 H HE2 . LYS A 1 83 ? -12.506 -6.907 6.757 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 13 +ATOM 20549 H HE3 . LYS A 1 83 ? -14.225 -6.566 6.870 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 13 +ATOM 20550 H HZ1 . LYS A 1 83 ? -12.725 -6.769 4.309 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 13 +ATOM 20551 H HZ2 . LYS A 1 83 ? -14.390 -6.582 4.488 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 13 +ATOM 20552 H HZ3 . LYS A 1 83 ? -13.636 -7.997 5.003 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 13 +ATOM 20553 N N . ALA A 1 84 ? -7.896 -5.396 7.459 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 13 +ATOM 20554 C CA . ALA A 1 84 ? -6.901 -6.086 8.211 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 13 +ATOM 20555 C C . ALA A 1 84 ? -7.481 -6.502 9.531 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 13 +ATOM 20556 O O . ALA A 1 84 ? -7.802 -5.661 10.366 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 13 +ATOM 20557 C CB . ALA A 1 84 ? -5.681 -5.210 8.418 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 13 +ATOM 20558 H H . ALA A 1 84 ? -8.419 -4.708 7.919 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 13 +ATOM 20559 H HA . ALA A 1 84 ? -6.606 -6.964 7.658 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 13 +ATOM 20560 H HB1 . ALA A 1 84 ? -5.951 -4.344 9.003 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 13 +ATOM 20561 H HB2 . ALA A 1 84 ? -5.302 -4.894 7.458 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 13 +ATOM 20562 H HB3 . ALA A 1 84 ? -4.918 -5.773 8.934 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 13 +ATOM 20563 N N . GLU A 1 85 ? -7.695 -7.780 9.685 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 13 +ATOM 20564 C CA . GLU A 1 85 ? -8.193 -8.292 10.925 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 13 +ATOM 20565 C C . GLU A 1 85 ? -6.974 -8.729 11.737 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 13 +ATOM 20566 O O . GLU A 1 85 ? -6.598 -8.085 12.732 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 13 +ATOM 20567 C CB . GLU A 1 85 ? -9.164 -9.464 10.659 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 13 +ATOM 20568 C CG . GLU A 1 85 ? -10.234 -9.691 11.733 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 13 +ATOM 20569 C CD . GLU A 1 85 ? -9.688 -9.988 13.099 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 13 +ATOM 20570 O OE1 . GLU A 1 85 ? -9.429 -11.171 13.403 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 13 +ATOM 20571 O OE2 . GLU A 1 85 ? -9.530 -9.046 13.898 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 13 +ATOM 20572 H H . GLU A 1 85 ? -7.530 -8.391 8.940 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 13 +ATOM 20573 H HA . GLU A 1 85 ? -8.698 -7.497 11.446 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 13 +ATOM 20574 H HB2 . GLU A 1 85 ? -9.671 -9.279 9.723 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 13 +ATOM 20575 H HB3 . GLU A 1 85 ? -8.587 -10.370 10.564 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 13 +ATOM 20576 H HG2 . GLU A 1 85 ? -10.837 -8.798 11.808 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 13 +ATOM 20577 H HG3 . GLU A 1 85 ? -10.862 -10.513 11.424 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 13 +ATOM 20578 N N . ALA A 1 86 ? -6.319 -9.766 11.270 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 13 +ATOM 20579 C CA . ALA A 1 86 ? -5.119 -10.251 11.912 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 13 +ATOM 20580 C C . ALA A 1 86 ? -3.968 -10.425 10.916 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 13 +ATOM 20581 O O . ALA A 1 86 ? -2.928 -9.786 11.045 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 13 +ATOM 20582 C CB . ALA A 1 86 ? -5.397 -11.548 12.648 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 13 +ATOM 20583 H H . ALA A 1 86 ? -6.679 -10.240 10.492 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 13 +ATOM 20584 H HA . ALA A 1 86 ? -4.822 -9.511 12.640 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 13 +ATOM 20585 H HB1 . ALA A 1 86 ? -4.518 -11.853 13.196 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 13 +ATOM 20586 H HB2 . ALA A 1 86 ? -5.656 -12.318 11.936 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 13 +ATOM 20587 H HB3 . ALA A 1 86 ? -6.217 -11.402 13.336 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 13 +ATOM 20588 N N . SER A 1 87 ? -4.155 -11.261 9.914 1.00 0.00 ? ? ? ? ? ? 84 SER A N 13 +ATOM 20589 C CA . SER A 1 87 ? -3.069 -11.556 8.996 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 13 +ATOM 20590 C C . SER A 1 87 ? -3.477 -11.304 7.523 1.00 0.00 ? ? ? ? ? ? 84 SER A C 13 +ATOM 20591 O O . SER A 1 87 ? -2.710 -11.594 6.598 1.00 0.00 ? ? ? ? ? ? 84 SER A O 13 +ATOM 20592 C CB . SER A 1 87 ? -2.622 -13.020 9.221 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 13 +ATOM 20593 O OG . SER A 1 87 ? -1.436 -13.349 8.511 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 13 +ATOM 20594 H H . SER A 1 87 ? -5.016 -11.722 9.808 1.00 0.00 ? ? ? ? ? ? 84 SER A H 13 +ATOM 20595 H HA . SER A 1 87 ? -2.243 -10.909 9.248 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 13 +ATOM 20596 H HB2 . SER A 1 87 ? -2.443 -13.180 10.274 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 13 +ATOM 20597 H HB3 . SER A 1 87 ? -3.415 -13.677 8.897 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 13 +ATOM 20598 H HG . SER A 1 87 ? -1.330 -14.305 8.596 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 13 +ATOM 20599 N N . GLU A 1 88 ? -4.631 -10.659 7.324 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 13 +ATOM 20600 C CA . GLU A 1 88 ? -5.211 -10.460 5.984 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 13 +ATOM 20601 C C . GLU A 1 88 ? -4.272 -9.708 5.025 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 13 +ATOM 20602 O O . GLU A 1 88 ? -3.961 -10.191 3.948 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 13 +ATOM 20603 C CB . GLU A 1 88 ? -6.497 -9.654 6.106 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 13 +ATOM 20604 C CG . GLU A 1 88 ? -7.565 -10.280 6.973 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 13 +ATOM 20605 C CD . GLU A 1 88 ? -7.965 -11.648 6.489 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 13 +ATOM 20606 O OE1 . GLU A 1 88 ? -8.468 -11.763 5.368 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 13 +ATOM 20607 O OE2 . GLU A 1 88 ? -7.801 -12.625 7.235 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 13 +ATOM 20608 H H . GLU A 1 88 ? -5.127 -10.326 8.097 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 13 +ATOM 20609 H HA . GLU A 1 88 ? -5.460 -11.423 5.568 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 13 +ATOM 20610 H HB2 . GLU A 1 88 ? -6.256 -8.685 6.516 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 13 +ATOM 20611 H HB3 . GLU A 1 88 ? -6.899 -9.521 5.115 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 13 +ATOM 20612 H HG2 . GLU A 1 88 ? -7.189 -10.356 7.981 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 13 +ATOM 20613 H HG3 . GLU A 1 88 ? -8.437 -9.642 6.966 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 13 +ATOM 20614 N N . VAL A 1 89 ? -3.779 -8.565 5.450 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 13 +ATOM 20615 C CA . VAL A 1 89 ? -2.929 -7.749 4.584 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 13 +ATOM 20616 C C . VAL A 1 89 ? -1.468 -8.118 4.726 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 13 +ATOM 20617 O O . VAL A 1 89 ? -0.623 -7.630 3.996 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 13 +ATOM 20618 C CB . VAL A 1 89 ? -3.111 -6.226 4.837 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 13 +ATOM 20619 C CG1 . VAL A 1 89 ? -4.515 -5.776 4.462 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 13 +ATOM 20620 C CG2 . VAL A 1 89 ? -2.805 -5.872 6.292 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 13 +ATOM 20621 H H . VAL A 1 89 ? -3.988 -8.245 6.350 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 13 +ATOM 20622 H HA . VAL A 1 89 ? -3.226 -7.959 3.567 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 13 +ATOM 20623 H HB . VAL A 1 89 ? -2.412 -5.701 4.204 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 13 +ATOM 20624 H HG11 . VAL A 1 89 ? -4.617 -4.717 4.650 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 13 +ATOM 20625 H HG12 . VAL A 1 89 ? -5.237 -6.317 5.057 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 13 +ATOM 20626 H HG13 . VAL A 1 89 ? -4.692 -5.974 3.416 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 13 +ATOM 20627 H HG21 . VAL A 1 89 ? -1.786 -6.146 6.522 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 13 +ATOM 20628 H HG22 . VAL A 1 89 ? -3.477 -6.412 6.941 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 13 +ATOM 20629 H HG23 . VAL A 1 89 ? -2.935 -4.809 6.438 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 13 +ATOM 20630 N N . TYR A 1 90 ? -1.183 -8.988 5.659 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 13 +ATOM 20631 C CA . TYR A 1 90 ? 0.178 -9.385 5.908 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 13 +ATOM 20632 C C . TYR A 1 90 ? 0.535 -10.568 5.043 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 13 +ATOM 20633 O O . TYR A 1 90 ? 1.588 -10.587 4.414 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 13 +ATOM 20634 C CB . TYR A 1 90 ? 0.404 -9.689 7.392 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 13 +ATOM 20635 C CG . TYR A 1 90 ? 0.196 -8.490 8.302 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 13 +ATOM 20636 C CD1 . TYR A 1 90 ? 1.218 -7.578 8.525 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 13 +ATOM 20637 C CD2 . TYR A 1 90 ? -1.019 -8.272 8.934 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 13 +ATOM 20638 C CE1 . TYR A 1 90 ? 1.034 -6.484 9.351 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 13 +ATOM 20639 C CE2 . TYR A 1 90 ? -1.211 -7.183 9.762 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 13 +ATOM 20640 C CZ . TYR A 1 90 ? -0.184 -6.291 9.971 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 13 +ATOM 20641 O OH . TYR A 1 90 ? -0.380 -5.193 10.801 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 13 +ATOM 20642 H H . TYR A 1 90 ? -1.914 -9.394 6.168 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 13 +ATOM 20643 H HA . TYR A 1 90 ? 0.809 -8.557 5.621 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 13 +ATOM 20644 H HB2 . TYR A 1 90 ? -0.284 -10.462 7.700 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 13 +ATOM 20645 H HB3 . TYR A 1 90 ? 1.415 -10.042 7.530 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 13 +ATOM 20646 H HD1 . TYR A 1 90 ? 2.171 -7.729 8.038 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 13 +ATOM 20647 H HD2 . TYR A 1 90 ? -1.828 -8.969 8.773 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 13 +ATOM 20648 H HE1 . TYR A 1 90 ? 1.846 -5.791 9.504 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 13 +ATOM 20649 H HE2 . TYR A 1 90 ? -2.167 -7.035 10.242 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 13 +ATOM 20650 H HH . TYR A 1 90 ? -0.668 -5.513 11.667 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 13 +ATOM 20651 N N . SER A 1 91 ? -0.367 -11.533 4.977 1.00 0.00 ? ? ? ? ? ? 88 SER A N 13 +ATOM 20652 C CA . SER A 1 91 ? -0.154 -12.710 4.175 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 13 +ATOM 20653 C C . SER A 1 91 ? -0.087 -12.383 2.695 1.00 0.00 ? ? ? ? ? ? 88 SER A C 13 +ATOM 20654 O O . SER A 1 91 ? 0.866 -12.769 2.036 1.00 0.00 ? ? ? ? ? ? 88 SER A O 13 +ATOM 20655 C CB . SER A 1 91 ? -1.205 -13.762 4.468 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 13 +ATOM 20656 O OG . SER A 1 91 ? -1.106 -14.187 5.822 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 13 +ATOM 20657 H H . SER A 1 91 ? -1.203 -11.462 5.489 1.00 0.00 ? ? ? ? ? ? 88 SER A H 13 +ATOM 20658 H HA . SER A 1 91 ? 0.809 -13.113 4.452 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 13 +ATOM 20659 H HB2 . SER A 1 91 ? -2.184 -13.340 4.299 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 13 +ATOM 20660 H HB3 . SER A 1 91 ? -1.056 -14.614 3.821 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 13 +ATOM 20661 H HG . SER A 1 91 ? -1.697 -13.642 6.359 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 13 +ATOM 20662 N N . GLU A 1 92 ? -1.043 -11.597 2.194 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 13 +ATOM 20663 C CA . GLU A 1 92 ? -1.074 -11.259 0.766 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 13 +ATOM 20664 C C . GLU A 1 92 ? 0.203 -10.518 0.365 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 13 +ATOM 20665 O O . GLU A 1 92 ? 0.708 -10.684 -0.754 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 13 +ATOM 20666 C CB . GLU A 1 92 ? -2.302 -10.400 0.425 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 13 +ATOM 20667 C CG . GLU A 1 92 ? -3.652 -11.037 0.727 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 13 +ATOM 20668 C CD . GLU A 1 92 ? -3.876 -12.323 -0.016 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 13 +ATOM 20669 O OE1 . GLU A 1 92 ? -4.079 -12.295 -1.248 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 13 +ATOM 20670 O OE2 . GLU A 1 92 ? -3.874 -13.393 0.614 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 13 +ATOM 20671 H H . GLU A 1 92 ? -1.747 -11.243 2.778 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 13 +ATOM 20672 H HA . GLU A 1 92 ? -1.109 -12.175 0.196 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 13 +ATOM 20673 H HB2 . GLU A 1 92 ? -2.242 -9.479 0.986 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 13 +ATOM 20674 H HB3 . GLU A 1 92 ? -2.269 -10.161 -0.628 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 13 +ATOM 20675 H HG2 . GLU A 1 92 ? -3.709 -11.243 1.786 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 13 +ATOM 20676 H HG3 . GLU A 1 92 ? -4.433 -10.342 0.457 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 13 +ATOM 20677 N N . ALA A 1 93 ? 0.744 -9.763 1.305 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 13 +ATOM 20678 C CA . ALA A 1 93 ? 1.944 -9.013 1.078 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 13 +ATOM 20679 C C . ALA A 1 93 ? 3.172 -9.915 1.088 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 13 +ATOM 20680 O O . ALA A 1 93 ? 3.919 -9.960 0.113 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 13 +ATOM 20681 C CB . ALA A 1 93 ? 2.082 -7.894 2.100 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 13 +ATOM 20682 H H . ALA A 1 93 ? 0.307 -9.709 2.179 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 13 +ATOM 20683 H HA . ALA A 1 93 ? 1.856 -8.564 0.100 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 13 +ATOM 20684 H HB1 . ALA A 1 93 ? 2.198 -8.320 3.085 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 13 +ATOM 20685 H HB2 . ALA A 1 93 ? 1.197 -7.275 2.079 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 13 +ATOM 20686 H HB3 . ALA A 1 93 ? 2.948 -7.292 1.864 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 13 +ATOM 20687 N N . VAL A 1 94 ? 3.355 -10.678 2.163 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 13 +ATOM 20688 C CA . VAL A 1 94 ? 4.552 -11.515 2.317 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 13 +ATOM 20689 C C . VAL A 1 94 ? 4.640 -12.606 1.235 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 13 +ATOM 20690 O O . VAL A 1 94 ? 5.734 -12.967 0.794 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 13 +ATOM 20691 C CB . VAL A 1 94 ? 4.679 -12.131 3.754 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 13 +ATOM 20692 C CG1 . VAL A 1 94 ? 3.604 -13.168 4.035 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 13 +ATOM 20693 C CG2 . VAL A 1 94 ? 6.073 -12.701 3.997 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 13 +ATOM 20694 H H . VAL A 1 94 ? 2.677 -10.674 2.878 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 13 +ATOM 20695 H HA . VAL A 1 94 ? 5.395 -10.860 2.153 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 13 +ATOM 20696 H HB . VAL A 1 94 ? 4.521 -11.324 4.455 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 13 +ATOM 20697 H HG11 . VAL A 1 94 ? 3.703 -13.986 3.337 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 13 +ATOM 20698 H HG12 . VAL A 1 94 ? 2.641 -12.701 3.900 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 13 +ATOM 20699 H HG13 . VAL A 1 94 ? 3.698 -13.533 5.046 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 13 +ATOM 20700 H HG21 . VAL A 1 94 ? 6.127 -13.119 4.991 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 13 +ATOM 20701 H HG22 . VAL A 1 94 ? 6.807 -11.913 3.899 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 13 +ATOM 20702 H HG23 . VAL A 1 94 ? 6.276 -13.473 3.271 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 13 +ATOM 20703 N N . LYS A 1 95 ? 3.491 -13.069 0.747 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 13 +ATOM 20704 C CA . LYS A 1 95 ? 3.473 -14.115 -0.275 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 13 +ATOM 20705 C C . LYS A 1 95 ? 3.958 -13.579 -1.624 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 13 +ATOM 20706 O O . LYS A 1 95 ? 4.226 -14.345 -2.536 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 13 +ATOM 20707 C CB . LYS A 1 95 ? 2.083 -14.753 -0.422 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 13 +ATOM 20708 C CG . LYS A 1 95 ? 1.516 -15.359 0.856 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 13 +ATOM 20709 C CD . LYS A 1 95 ? 2.371 -16.459 1.444 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 13 +ATOM 20710 C CE . LYS A 1 95 ? 1.825 -16.896 2.803 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 13 +ATOM 20711 N NZ . LYS A 1 95 ? 0.416 -17.356 2.728 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 13 +ATOM 20712 H H . LYS A 1 95 ? 2.643 -12.706 1.090 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 13 +ATOM 20713 H HA . LYS A 1 95 ? 4.172 -14.875 0.041 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 13 +ATOM 20714 H HB2 . LYS A 1 95 ? 1.395 -13.982 -0.735 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 13 +ATOM 20715 H HB3 . LYS A 1 95 ? 2.123 -15.524 -1.177 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 13 +ATOM 20716 H HG2 . LYS A 1 95 ? 1.417 -14.580 1.597 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 13 +ATOM 20717 H HG3 . LYS A 1 95 ? 0.539 -15.761 0.632 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 13 +ATOM 20718 H HD2 . LYS A 1 95 ? 2.368 -17.305 0.773 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 13 +ATOM 20719 H HD3 . LYS A 1 95 ? 3.379 -16.096 1.574 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 13 +ATOM 20720 H HE2 . LYS A 1 95 ? 2.434 -17.706 3.178 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 13 +ATOM 20721 H HE3 . LYS A 1 95 ? 1.889 -16.060 3.484 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 13 +ATOM 20722 H HZ1 . LYS A 1 95 ? 0.047 -17.605 3.669 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 13 +ATOM 20723 H HZ2 . LYS A 1 95 ? 0.334 -18.205 2.130 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 13 +ATOM 20724 H HZ3 . LYS A 1 95 ? -0.216 -16.642 2.315 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 13 +ATOM 20725 N N . ARG A 1 96 ? 4.056 -12.258 -1.756 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 13 +ATOM 20726 C CA . ARG A 1 96 ? 4.602 -11.693 -2.979 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 13 +ATOM 20727 C C . ARG A 1 96 ? 6.113 -11.607 -2.921 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 13 +ATOM 20728 O O . ARG A 1 96 ? 6.780 -11.462 -3.945 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 13 +ATOM 20729 C CB . ARG A 1 96 ? 4.014 -10.330 -3.342 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 13 +ATOM 20730 C CG . ARG A 1 96 ? 2.527 -10.324 -3.690 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 13 +ATOM 20731 C CD . ARG A 1 96 ? 2.145 -11.443 -4.664 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 13 +ATOM 20732 N NE . ARG A 1 96 ? 3.138 -11.672 -5.731 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 13 +ATOM 20733 C CZ . ARG A 1 96 ? 3.008 -11.331 -7.006 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 13 +ATOM 20734 N NH1 . ARG A 1 96 ? 2.106 -10.449 -7.380 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 13 +ATOM 20735 N NH2 . ARG A 1 96 ? 3.865 -11.803 -7.898 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 13 +ATOM 20736 H H . ARG A 1 96 ? 3.751 -11.667 -1.030 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 13 +ATOM 20737 H HA . ARG A 1 96 ? 4.355 -12.396 -3.760 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 13 +ATOM 20738 H HB2 . ARG A 1 96 ? 4.158 -9.660 -2.506 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 13 +ATOM 20739 H HB3 . ARG A 1 96 ? 4.561 -9.944 -4.189 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 13 +ATOM 20740 H HG2 . ARG A 1 96 ? 1.958 -10.448 -2.781 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 13 +ATOM 20741 H HG3 . ARG A 1 96 ? 2.283 -9.370 -4.135 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 13 +ATOM 20742 H HD2 . ARG A 1 96 ? 2.032 -12.361 -4.108 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 13 +ATOM 20743 H HD3 . ARG A 1 96 ? 1.197 -11.191 -5.118 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 13 +ATOM 20744 H HE . ARG A 1 96 ? 3.918 -12.205 -5.457 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 13 +ATOM 20745 H HH11 . ARG A 1 96 ? 1.481 -9.964 -6.752 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 13 +ATOM 20746 H HH12 . ARG A 1 96 ? 2.015 -10.192 -8.342 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 13 +ATOM 20747 H HH21 . ARG A 1 96 ? 4.622 -12.415 -7.656 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 13 +ATOM 20748 H HH22 . ARG A 1 96 ? 3.782 -11.565 -8.869 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 13 +ATOM 20749 N N . ILE A 1 97 ? 6.645 -11.687 -1.726 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 13 +ATOM 20750 C CA . ILE A 1 97 ? 8.079 -11.667 -1.527 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 13 +ATOM 20751 C C . ILE A 1 97 ? 8.604 -13.101 -1.580 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 13 +ATOM 20752 O O . ILE A 1 97 ? 9.711 -13.364 -2.078 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 13 +ATOM 20753 C CB . ILE A 1 97 ? 8.495 -10.950 -0.175 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 13 +ATOM 20754 C CG1 . ILE A 1 97 ? 8.329 -9.408 -0.254 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 13 +ATOM 20755 C CG2 . ILE A 1 97 ? 9.927 -11.288 0.244 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 13 +ATOM 20756 C CD1 . ILE A 1 97 ? 6.910 -8.893 -0.371 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 13 +ATOM 20757 H H . ILE A 1 97 ? 6.051 -11.778 -0.952 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 13 +ATOM 20758 H HA . ILE A 1 97 ? 8.502 -11.126 -2.362 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 13 +ATOM 20759 H HB . ILE A 1 97 ? 7.839 -11.325 0.597 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 13 +ATOM 20760 H HG12 . ILE A 1 97 ? 8.741 -8.971 0.641 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 13 +ATOM 20761 H HG13 . ILE A 1 97 ? 8.889 -9.046 -1.103 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 13 +ATOM 20762 H HG21 . ILE A 1 97 ? 10.611 -10.966 -0.527 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 13 +ATOM 20763 H HG22 . ILE A 1 97 ? 10.016 -12.356 0.378 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 13 +ATOM 20764 H HG23 . ILE A 1 97 ? 10.163 -10.787 1.170 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 13 +ATOM 20765 H HD11 . ILE A 1 97 ? 6.458 -9.288 -1.269 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 13 +ATOM 20766 H HD12 . ILE A 1 97 ? 6.925 -7.815 -0.421 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 13 +ATOM 20767 H HD13 . ILE A 1 97 ? 6.337 -9.206 0.489 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 13 +ATOM 20768 N N . LEU A 1 98 ? 7.790 -14.012 -1.118 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 13 +ATOM 20769 C CA . LEU A 1 98 ? 8.124 -15.408 -1.115 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 13 +ATOM 20770 C C . LEU A 1 98 ? 7.557 -16.059 -2.371 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 13 +ATOM 20771 O O . LEU A 1 98 ? 8.237 -16.066 -3.419 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 13 +ATOM 20772 C CB . LEU A 1 98 ? 7.545 -16.069 0.143 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 13 +ATOM 20773 C CG . LEU A 1 98 ? 7.986 -15.468 1.484 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 13 +ATOM 20774 C CD1 . LEU A 1 98 ? 7.249 -16.127 2.631 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 13 +ATOM 20775 C CD2 . LEU A 1 98 ? 9.488 -15.610 1.672 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 13 +ATOM 20776 O OXT . LEU A 1 98 ? 6.421 -16.545 -2.339 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 13 +ATOM 20777 H H . LEU A 1 98 ? 6.918 -13.744 -0.760 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 13 +ATOM 20778 H HA . LEU A 1 98 ? 9.199 -15.509 -1.108 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 13 +ATOM 20779 H HB2 . LEU A 1 98 ? 6.469 -16.000 0.088 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 13 +ATOM 20780 H HB3 . LEU A 1 98 ? 7.821 -17.113 0.134 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 13 +ATOM 20781 H HG . LEU A 1 98 ? 7.739 -14.417 1.493 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 13 +ATOM 20782 H HD11 . LEU A 1 98 ? 6.186 -15.988 2.508 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 13 +ATOM 20783 H HD12 . LEU A 1 98 ? 7.566 -15.685 3.564 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 13 +ATOM 20784 H HD13 . LEU A 1 98 ? 7.478 -17.182 2.640 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 13 +ATOM 20785 H HD21 . LEU A 1 98 ? 9.771 -15.194 2.628 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 13 +ATOM 20786 H HD22 . LEU A 1 98 ? 10.001 -15.077 0.885 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 13 +ATOM 20787 H HD23 . LEU A 1 98 ? 9.761 -16.654 1.637 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 13 +ATOM 20788 N N . MET A 1 4 ? 11.867 14.601 -2.050 1.00 0.00 ? ? ? ? ? ? 1 MET A N 14 +ATOM 20789 C CA . MET A 1 4 ? 11.762 13.774 -3.250 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 14 +ATOM 20790 C C . MET A 1 4 ? 10.439 13.066 -3.255 1.00 0.00 ? ? ? ? ? ? 1 MET A C 14 +ATOM 20791 O O . MET A 1 4 ? 10.009 12.529 -2.225 1.00 0.00 ? ? ? ? ? ? 1 MET A O 14 +ATOM 20792 C CB . MET A 1 4 ? 12.889 12.738 -3.294 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 14 +ATOM 20793 C CG . MET A 1 4 ? 12.929 11.882 -4.557 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 14 +ATOM 20794 S SD . MET A 1 4 ? 13.225 12.860 -6.044 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 14 +ATOM 20795 C CE . MET A 1 4 ? 13.264 11.572 -7.296 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 14 +ATOM 20796 H H . MET A 1 4 ? 11.811 14.030 -1.184 1.00 0.00 ? ? ? ? ? ? 1 MET A H 14 +ATOM 20797 H HA . MET A 1 4 ? 11.825 14.407 -4.122 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 14 +ATOM 20798 H HB2 . MET A 1 4 ? 13.833 13.254 -3.226 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 14 +ATOM 20799 H HB3 . MET A 1 4 ? 12.761 12.084 -2.447 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 14 +ATOM 20800 H HG2 . MET A 1 4 ? 13.721 11.155 -4.460 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 14 +ATOM 20801 H HG3 . MET A 1 4 ? 11.983 11.373 -4.660 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 14 +ATOM 20802 H HE1 . MET A 1 4 ? 13.454 12.018 -8.261 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 14 +ATOM 20803 H HE2 . MET A 1 4 ? 12.311 11.065 -7.316 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 14 +ATOM 20804 H HE3 . MET A 1 4 ? 14.046 10.865 -7.064 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 14 +ATOM 20805 N N . ALA A 1 5 ? 9.812 13.059 -4.397 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 14 +ATOM 20806 C CA . ALA A 1 5 ? 8.551 12.395 -4.588 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 14 +ATOM 20807 C C . ALA A 1 5 ? 8.793 11.087 -5.300 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 14 +ATOM 20808 O O . ALA A 1 5 ? 9.580 11.018 -6.259 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 14 +ATOM 20809 C CB . ALA A 1 5 ? 7.586 13.265 -5.383 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 14 +ATOM 20810 H H . ALA A 1 5 ? 10.231 13.503 -5.164 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 14 +ATOM 20811 H HA . ALA A 1 5 ? 8.126 12.196 -3.615 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 14 +ATOM 20812 H HB1 . ALA A 1 5 ? 8.007 13.475 -6.355 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 14 +ATOM 20813 H HB2 . ALA A 1 5 ? 7.409 14.189 -4.855 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 14 +ATOM 20814 H HB3 . ALA A 1 5 ? 6.652 12.734 -5.505 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 14 +ATOM 20815 N N . TYR A 1 6 ? 8.163 10.066 -4.820 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 14 +ATOM 20816 C CA . TYR A 1 6 ? 8.305 8.735 -5.359 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 14 +ATOM 20817 C C . TYR A 1 6 ? 7.180 8.445 -6.345 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 14 +ATOM 20818 O O . TYR A 1 6 ? 6.226 9.215 -6.452 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 14 +ATOM 20819 C CB . TYR A 1 6 ? 8.301 7.691 -4.217 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 14 +ATOM 20820 C CG . TYR A 1 6 ? 9.521 7.720 -3.287 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 14 +ATOM 20821 C CD1 . TYR A 1 6 ? 9.983 8.906 -2.722 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 14 +ATOM 20822 C CD2 . TYR A 1 6 ? 10.191 6.547 -2.962 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 14 +ATOM 20823 C CE1 . TYR A 1 6 ? 11.065 8.925 -1.874 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 14 +ATOM 20824 C CE2 . TYR A 1 6 ? 11.282 6.559 -2.111 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 14 +ATOM 20825 C CZ . TYR A 1 6 ? 11.715 7.752 -1.573 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 14 +ATOM 20826 O OH . TYR A 1 6 ? 12.785 7.777 -0.703 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 14 +ATOM 20827 H H . TYR A 1 6 ? 7.562 10.211 -4.058 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 14 +ATOM 20828 H HA . TYR A 1 6 ? 9.250 8.681 -5.875 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 14 +ATOM 20829 H HB2 . TYR A 1 6 ? 7.428 7.851 -3.603 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 14 +ATOM 20830 H HB3 . TYR A 1 6 ? 8.240 6.706 -4.656 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 14 +ATOM 20831 H HD1 . TYR A 1 6 ? 9.477 9.830 -2.960 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 14 +ATOM 20832 H HD2 . TYR A 1 6 ? 9.852 5.614 -3.387 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 14 +ATOM 20833 H HE1 . TYR A 1 6 ? 11.402 9.859 -1.449 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 14 +ATOM 20834 H HE2 . TYR A 1 6 ? 11.793 5.637 -1.875 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 14 +ATOM 20835 H HH . TYR A 1 6 ? 13.329 6.977 -0.837 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 14 +ATOM 20836 N N . PHE A 1 7 ? 7.313 7.367 -7.070 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 14 +ATOM 20837 C CA . PHE A 1 7 ? 6.289 6.917 -8.004 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 14 +ATOM 20838 C C . PHE A 1 7 ? 5.339 5.982 -7.264 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 14 +ATOM 20839 O O . PHE A 1 7 ? 5.700 5.459 -6.222 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 14 +ATOM 20840 C CB . PHE A 1 7 ? 6.936 6.174 -9.185 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 14 +ATOM 20841 C CG . PHE A 1 7 ? 7.820 7.024 -10.055 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 14 +ATOM 20842 C CD1 . PHE A 1 7 ? 7.290 7.709 -11.130 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 14 +ATOM 20843 C CD2 . PHE A 1 7 ? 9.181 7.132 -9.803 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 14 +ATOM 20844 C CE1 . PHE A 1 7 ? 8.094 8.485 -11.939 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 14 +ATOM 20845 C CE2 . PHE A 1 7 ? 9.990 7.909 -10.608 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 14 +ATOM 20846 C CZ . PHE A 1 7 ? 9.445 8.586 -11.678 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 14 +ATOM 20847 H H . PHE A 1 7 ? 8.134 6.835 -6.969 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 14 +ATOM 20848 H HA . PHE A 1 7 ? 5.744 7.776 -8.366 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 14 +ATOM 20849 H HB2 . PHE A 1 7 ? 7.559 5.386 -8.786 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 14 +ATOM 20850 H HB3 . PHE A 1 7 ? 6.165 5.737 -9.802 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 14 +ATOM 20851 H HD1 . PHE A 1 7 ? 6.233 7.631 -11.332 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 14 +ATOM 20852 H HD2 . PHE A 1 7 ? 9.607 6.600 -8.964 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 14 +ATOM 20853 H HE1 . PHE A 1 7 ? 7.662 9.011 -12.777 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 14 +ATOM 20854 H HE2 . PHE A 1 7 ? 11.047 7.988 -10.401 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 14 +ATOM 20855 H HZ . PHE A 1 7 ? 10.074 9.195 -12.312 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 14 +ATOM 20856 N N . LEU A 1 8 ? 4.147 5.781 -7.772 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 14 +ATOM 20857 C CA . LEU A 1 8 ? 3.193 4.888 -7.118 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 14 +ATOM 20858 C C . LEU A 1 8 ? 2.736 3.849 -8.138 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 14 +ATOM 20859 O O . LEU A 1 8 ? 2.229 4.212 -9.212 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 14 +ATOM 20860 C CB . LEU A 1 8 ? 1.971 5.699 -6.593 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 14 +ATOM 20861 C CG . LEU A 1 8 ? 1.103 5.088 -5.440 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 14 +ATOM 20862 C CD1 . LEU A 1 8 ? 0.503 3.737 -5.775 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 14 +ATOM 20863 C CD2 . LEU A 1 8 ? 1.885 5.003 -4.153 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 14 +ATOM 20864 H H . LEU A 1 8 ? 3.886 6.228 -8.607 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 14 +ATOM 20865 H HA . LEU A 1 8 ? 3.687 4.396 -6.294 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 14 +ATOM 20866 H HB2 . LEU A 1 8 ? 2.339 6.655 -6.254 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 14 +ATOM 20867 H HB3 . LEU A 1 8 ? 1.321 5.882 -7.435 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 14 +ATOM 20868 H HG . LEU A 1 8 ? 0.274 5.759 -5.269 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 14 +ATOM 20869 H HD11 . LEU A 1 8 ? 1.296 3.064 -6.066 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 14 +ATOM 20870 H HD12 . LEU A 1 8 ? -0.220 3.831 -6.571 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 14 +ATOM 20871 H HD13 . LEU A 1 8 ? 0.030 3.347 -4.886 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 14 +ATOM 20872 H HD21 . LEU A 1 8 ? 2.199 5.988 -3.844 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 14 +ATOM 20873 H HD22 . LEU A 1 8 ? 2.745 4.370 -4.309 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 14 +ATOM 20874 H HD23 . LEU A 1 8 ? 1.263 4.567 -3.386 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 14 +ATOM 20875 N N . ASP A 1 9 ? 2.908 2.582 -7.824 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 14 +ATOM 20876 C CA . ASP A 1 9 ? 2.464 1.516 -8.718 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 14 +ATOM 20877 C C . ASP A 1 9 ? 1.805 0.422 -7.891 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 14 +ATOM 20878 O O . ASP A 1 9 ? 2.114 0.266 -6.701 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 14 +ATOM 20879 C CB . ASP A 1 9 ? 3.643 0.952 -9.529 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 14 +ATOM 20880 C CG . ASP A 1 9 ? 3.215 0.074 -10.696 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 14 +ATOM 20881 O OD1 . ASP A 1 9 ? 2.691 0.616 -11.714 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 14 +ATOM 20882 O OD2 . ASP A 1 9 ? 3.399 -1.147 -10.641 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 14 +ATOM 20883 H H . ASP A 1 9 ? 3.326 2.333 -6.966 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 14 +ATOM 20884 H HA . ASP A 1 9 ? 1.728 1.934 -9.387 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 14 +ATOM 20885 H HB2 . ASP A 1 9 ? 4.255 1.755 -9.907 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 14 +ATOM 20886 H HB3 . ASP A 1 9 ? 4.219 0.339 -8.855 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 14 +ATOM 20887 N N . PHE A 1 10 ? 0.901 -0.300 -8.487 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 14 +ATOM 20888 C CA . PHE A 1 10 ? 0.148 -1.332 -7.790 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 14 +ATOM 20889 C C . PHE A 1 10 ? 0.429 -2.683 -8.408 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 14 +ATOM 20890 O O . PHE A 1 10 ? 0.479 -2.806 -9.629 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 14 +ATOM 20891 C CB . PHE A 1 10 ? -1.366 -1.098 -7.919 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 14 +ATOM 20892 C CG . PHE A 1 10 ? -1.909 0.205 -7.403 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 14 +ATOM 20893 C CD1 . PHE A 1 10 ? -1.927 1.334 -8.209 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 14 +ATOM 20894 C CD2 . PHE A 1 10 ? -2.438 0.291 -6.130 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 14 +ATOM 20895 C CE1 . PHE A 1 10 ? -2.454 2.522 -7.750 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 14 +ATOM 20896 C CE2 . PHE A 1 10 ? -2.970 1.474 -5.666 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 14 +ATOM 20897 C CZ . PHE A 1 10 ? -2.978 2.592 -6.476 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 14 +ATOM 20898 H H . PHE A 1 10 ? 0.745 -0.168 -9.445 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 14 +ATOM 20899 H HA . PHE A 1 10 ? 0.413 -1.329 -6.745 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 14 +ATOM 20900 H HB2 . PHE A 1 10 ? -1.627 -1.150 -8.966 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 14 +ATOM 20901 H HB3 . PHE A 1 10 ? -1.877 -1.900 -7.406 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 14 +ATOM 20902 H HD1 . PHE A 1 10 ? -1.518 1.280 -9.207 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 14 +ATOM 20903 H HD2 . PHE A 1 10 ? -2.427 -0.582 -5.492 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 14 +ATOM 20904 H HE1 . PHE A 1 10 ? -2.459 3.395 -8.387 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 14 +ATOM 20905 H HE2 . PHE A 1 10 ? -3.382 1.527 -4.669 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 14 +ATOM 20906 H HZ . PHE A 1 10 ? -3.396 3.519 -6.113 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 14 +ATOM 20907 N N . ASP A 1 11 ? 0.602 -3.681 -7.584 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 14 +ATOM 20908 C CA . ASP A 1 11 ? 0.727 -5.055 -8.056 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 14 +ATOM 20909 C C . ASP A 1 11 ? -0.624 -5.541 -8.581 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 14 +ATOM 20910 O O . ASP A 1 11 ? -1.669 -5.026 -8.166 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 14 +ATOM 20911 C CB . ASP A 1 11 ? 1.209 -5.973 -6.935 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 14 +ATOM 20912 C CG . ASP A 1 11 ? 1.173 -7.419 -7.334 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 14 +ATOM 20913 O OD1 . ASP A 1 11 ? 2.032 -7.871 -8.116 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 14 +ATOM 20914 O OD2 . ASP A 1 11 ? 0.267 -8.134 -6.883 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 14 +ATOM 20915 H H . ASP A 1 11 ? 0.657 -3.512 -6.615 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 14 +ATOM 20916 H HA . ASP A 1 11 ? 1.443 -5.067 -8.864 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 14 +ATOM 20917 H HB2 . ASP A 1 11 ? 2.223 -5.714 -6.671 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 14 +ATOM 20918 H HB3 . ASP A 1 11 ? 0.572 -5.836 -6.073 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 14 +ATOM 20919 N N . GLU A 1 12 ? -0.615 -6.511 -9.483 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 14 +ATOM 20920 C CA . GLU A 1 12 ? -1.836 -7.008 -10.069 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 14 +ATOM 20921 C C . GLU A 1 12 ? -2.830 -7.591 -9.043 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 14 +ATOM 20922 O O . GLU A 1 12 ? -4.038 -7.452 -9.234 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 14 +ATOM 20923 C CB . GLU A 1 12 ? -1.578 -7.908 -11.306 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 14 +ATOM 20924 C CG . GLU A 1 12 ? -0.738 -9.172 -11.098 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 14 +ATOM 20925 C CD . GLU A 1 12 ? -1.515 -10.335 -10.530 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 14 +ATOM 20926 O OE1 . GLU A 1 12 ? -2.456 -10.814 -11.197 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 14 +ATOM 20927 O OE2 . GLU A 1 12 ? -1.193 -10.807 -9.439 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 14 +ATOM 20928 H H . GLU A 1 12 ? 0.247 -6.907 -9.739 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 14 +ATOM 20929 H HA . GLU A 1 12 ? -2.324 -6.109 -10.419 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 14 +ATOM 20930 H HB2 . GLU A 1 12 ? -2.533 -8.228 -11.696 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 14 +ATOM 20931 H HB3 . GLU A 1 12 ? -1.095 -7.303 -12.060 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 14 +ATOM 20932 H HG2 . GLU A 1 12 ? -0.324 -9.478 -12.046 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 14 +ATOM 20933 H HG3 . GLU A 1 12 ? 0.069 -8.932 -10.422 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 14 +ATOM 20934 N N . ARG A 1 13 ? -2.333 -8.174 -7.932 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 14 +ATOM 20935 C CA . ARG A 1 13 ? -3.227 -8.668 -6.872 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 14 +ATOM 20936 C C . ARG A 1 13 ? -3.850 -7.497 -6.146 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 14 +ATOM 20937 O O . ARG A 1 13 ? -5.041 -7.520 -5.789 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 14 +ATOM 20938 C CB . ARG A 1 13 ? -2.513 -9.568 -5.849 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 14 +ATOM 20939 C CG . ARG A 1 13 ? -2.033 -10.892 -6.392 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 14 +ATOM 20940 C CD . ARG A 1 13 ? -1.471 -11.775 -5.287 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 14 +ATOM 20941 N NE . ARG A 1 13 ? -0.987 -13.056 -5.813 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 14 +ATOM 20942 C CZ . ARG A 1 13 ? -0.568 -14.102 -5.082 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 14 +ATOM 20943 N NH1 . ARG A 1 13 ? -0.644 -14.082 -3.748 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 14 +ATOM 20944 N NH2 . ARG A 1 13 ? -0.113 -15.191 -5.692 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 14 +ATOM 20945 H H . ARG A 1 13 ? -1.356 -8.268 -7.816 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 14 +ATOM 20946 H HA . ARG A 1 13 ? -4.016 -9.226 -7.352 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 14 +ATOM 20947 H HB2 . ARG A 1 13 ? -1.654 -9.036 -5.467 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 14 +ATOM 20948 H HB3 . ARG A 1 13 ? -3.191 -9.764 -5.031 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 14 +ATOM 20949 H HG2 . ARG A 1 13 ? -2.865 -11.401 -6.856 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 14 +ATOM 20950 H HG3 . ARG A 1 13 ? -1.261 -10.710 -7.126 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 14 +ATOM 20951 H HD2 . ARG A 1 13 ? -0.648 -11.259 -4.814 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 14 +ATOM 20952 H HD3 . ARG A 1 13 ? -2.247 -11.964 -4.561 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 14 +ATOM 20953 H HE . ARG A 1 13 ? -0.976 -13.096 -6.796 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 14 +ATOM 20954 H HH11 . ARG A 1 13 ? -1.014 -13.308 -3.210 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 14 +ATOM 20955 H HH12 . ARG A 1 13 ? -0.330 -14.867 -3.207 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 14 +ATOM 20956 H HH21 . ARG A 1 13 ? -0.066 -15.271 -6.693 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 14 +ATOM 20957 H HH22 . ARG A 1 13 ? 0.211 -15.990 -5.178 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 14 +ATOM 20958 N N . ALA A 1 14 ? -3.052 -6.463 -5.957 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 14 +ATOM 20959 C CA . ALA A 1 14 ? -3.495 -5.260 -5.295 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 14 +ATOM 20960 C C . ALA A 1 14 ? -4.549 -4.560 -6.131 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 14 +ATOM 20961 O O . ALA A 1 14 ? -5.522 -4.065 -5.602 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 14 +ATOM 20962 C CB . ALA A 1 14 ? -2.324 -4.330 -5.025 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 14 +ATOM 20963 H H . ALA A 1 14 ? -2.128 -6.523 -6.282 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 14 +ATOM 20964 H HA . ALA A 1 14 ? -3.933 -5.546 -4.350 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 14 +ATOM 20965 H HB1 . ALA A 1 14 ? -1.878 -4.036 -5.964 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 14 +ATOM 20966 H HB2 . ALA A 1 14 ? -1.590 -4.837 -4.417 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 14 +ATOM 20967 H HB3 . ALA A 1 14 ? -2.681 -3.451 -4.508 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 14 +ATOM 20968 N N . LEU A 1 15 ? -4.362 -4.575 -7.451 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 14 +ATOM 20969 C CA . LEU A 1 15 ? -5.288 -3.955 -8.382 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 14 +ATOM 20970 C C . LEU A 1 15 ? -6.658 -4.582 -8.296 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 14 +ATOM 20971 O O . LEU A 1 15 ? -7.661 -3.888 -8.257 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 14 +ATOM 20972 C CB . LEU A 1 15 ? -4.765 -4.047 -9.818 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 14 +ATOM 20973 C CG . LEU A 1 15 ? -3.612 -3.113 -10.192 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 14 +ATOM 20974 C CD1 . LEU A 1 15 ? -3.100 -3.442 -11.583 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 14 +ATOM 20975 C CD2 . LEU A 1 15 ? -4.080 -1.661 -10.148 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 14 +ATOM 20976 H H . LEU A 1 15 ? -3.564 -5.023 -7.812 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 14 +ATOM 20977 H HA . LEU A 1 15 ? -5.372 -2.912 -8.116 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 14 +ATOM 20978 H HB2 . LEU A 1 15 ? -4.439 -5.063 -9.983 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 14 +ATOM 20979 H HB3 . LEU A 1 15 ? -5.592 -3.847 -10.479 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 14 +ATOM 20980 H HG . LEU A 1 15 ? -2.804 -3.232 -9.486 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 14 +ATOM 20981 H HD11 . LEU A 1 15 ? -2.279 -2.782 -11.823 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 14 +ATOM 20982 H HD12 . LEU A 1 15 ? -3.897 -3.302 -12.299 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 14 +ATOM 20983 H HD13 . LEU A 1 15 ? -2.762 -4.466 -11.618 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 14 +ATOM 20984 H HD21 . LEU A 1 15 ? -4.916 -1.532 -10.817 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 14 +ATOM 20985 H HD22 . LEU A 1 15 ? -3.272 -1.017 -10.461 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 14 +ATOM 20986 H HD23 . LEU A 1 15 ? -4.374 -1.395 -9.143 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 14 +ATOM 20987 N N . LYS A 1 16 ? -6.688 -5.891 -8.230 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 14 +ATOM 20988 C CA . LYS A 1 16 ? -7.937 -6.640 -8.176 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 14 +ATOM 20989 C C . LYS A 1 16 ? -8.737 -6.278 -6.927 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 14 +ATOM 20990 O O . LYS A 1 16 ? -9.946 -6.011 -7.001 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 14 +ATOM 20991 C CB . LYS A 1 16 ? -7.612 -8.119 -8.196 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 14 +ATOM 20992 C CG . LYS A 1 16 ? -6.927 -8.549 -9.472 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 14 +ATOM 20993 C CD . LYS A 1 16 ? -6.299 -9.912 -9.337 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 14 +ATOM 20994 C CE . LYS A 1 16 ? -5.669 -10.361 -10.650 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 14 +ATOM 20995 N NZ . LYS A 1 16 ? -5.021 -11.684 -10.536 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 14 +ATOM 20996 H H . LYS A 1 16 ? -5.833 -6.374 -8.216 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 14 +ATOM 20997 H HA . LYS A 1 16 ? -8.516 -6.398 -9.053 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 14 +ATOM 20998 H HB2 . LYS A 1 16 ? -6.962 -8.344 -7.362 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 14 +ATOM 20999 H HB3 . LYS A 1 16 ? -8.529 -8.680 -8.095 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 14 +ATOM 21000 H HG2 . LYS A 1 16 ? -7.650 -8.570 -10.274 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 14 +ATOM 21001 H HG3 . LYS A 1 16 ? -6.158 -7.828 -9.707 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 14 +ATOM 21002 H HD2 . LYS A 1 16 ? -5.531 -9.821 -8.583 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 14 +ATOM 21003 H HD3 . LYS A 1 16 ? -7.046 -10.621 -9.017 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 14 +ATOM 21004 H HE2 . LYS A 1 16 ? -6.439 -10.416 -11.405 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 14 +ATOM 21005 H HE3 . LYS A 1 16 ? -4.932 -9.630 -10.945 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 14 +ATOM 21006 H HZ1 . LYS A 1 16 ? -4.260 -11.655 -9.826 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 14 +ATOM 21007 H HZ2 . LYS A 1 16 ? -4.574 -11.936 -11.442 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 14 +ATOM 21008 H HZ3 . LYS A 1 16 ? -5.704 -12.419 -10.262 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 14 +ATOM 21009 N N . GLU A 1 17 ? -8.055 -6.210 -5.800 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 14 +ATOM 21010 C CA . GLU A 1 17 ? -8.677 -5.813 -4.560 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 14 +ATOM 21011 C C . GLU A 1 17 ? -9.047 -4.330 -4.575 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 14 +ATOM 21012 O O . GLU A 1 17 ? -10.089 -3.951 -4.081 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 14 +ATOM 21013 C CB . GLU A 1 17 ? -7.764 -6.149 -3.403 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 14 +ATOM 21014 C CG . GLU A 1 17 ? -7.555 -7.640 -3.250 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 14 +ATOM 21015 C CD . GLU A 1 17 ? -8.843 -8.364 -2.923 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 14 +ATOM 21016 O OE1 . GLU A 1 17 ? -9.293 -8.319 -1.746 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 14 +ATOM 21017 O OE2 . GLU A 1 17 ? -9.453 -8.959 -3.843 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 14 +ATOM 21018 H H . GLU A 1 17 ? -7.106 -6.468 -5.776 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 14 +ATOM 21019 H HA . GLU A 1 17 ? -9.590 -6.384 -4.455 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 14 +ATOM 21020 H HB2 . GLU A 1 17 ? -6.805 -5.679 -3.566 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 14 +ATOM 21021 H HB3 . GLU A 1 17 ? -8.195 -5.770 -2.489 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 14 +ATOM 21022 H HG2 . GLU A 1 17 ? -7.193 -8.012 -4.198 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 14 +ATOM 21023 H HG3 . GLU A 1 17 ? -6.813 -7.835 -2.496 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 14 +ATOM 21024 N N . TRP A 1 18 ? -8.197 -3.517 -5.180 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 14 +ATOM 21025 C CA . TRP A 1 18 ? -8.400 -2.067 -5.314 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 14 +ATOM 21026 C C . TRP A 1 18 ? -9.680 -1.772 -6.110 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 14 +ATOM 21027 O O . TRP A 1 18 ? -10.406 -0.818 -5.828 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 14 +ATOM 21028 C CB . TRP A 1 18 ? -7.169 -1.465 -6.015 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 14 +ATOM 21029 C CG . TRP A 1 18 ? -7.199 0.012 -6.242 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 14 +ATOM 21030 C CD1 . TRP A 1 18 ? -7.540 0.653 -7.395 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 14 +ATOM 21031 C CD2 . TRP A 1 18 ? -6.851 1.031 -5.300 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 14 +ATOM 21032 N NE1 . TRP A 1 18 ? -7.430 2.008 -7.228 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 14 +ATOM 21033 C CE2 . TRP A 1 18 ? -7.009 2.268 -5.951 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 14 +ATOM 21034 C CE3 . TRP A 1 18 ? -6.425 1.020 -3.968 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 14 +ATOM 21035 C CZ2 . TRP A 1 18 ? -6.752 3.480 -5.319 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 14 +ATOM 21036 C CZ3 . TRP A 1 18 ? -6.172 2.223 -3.342 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 14 +ATOM 21037 C CH2 . TRP A 1 18 ? -6.337 3.436 -4.016 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 14 +ATOM 21038 H H . TRP A 1 18 ? -7.360 -3.895 -5.538 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 14 +ATOM 21039 H HA . TRP A 1 18 ? -8.484 -1.642 -4.325 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 14 +ATOM 21040 H HB2 . TRP A 1 18 ? -6.292 -1.677 -5.423 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 14 +ATOM 21041 H HB3 . TRP A 1 18 ? -7.058 -1.950 -6.974 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 14 +ATOM 21042 H HD1 . TRP A 1 18 ? -7.851 0.143 -8.297 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 14 +ATOM 21043 H HE1 . TRP A 1 18 ? -7.616 2.683 -7.920 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 14 +ATOM 21044 H HE3 . TRP A 1 18 ? -6.293 0.091 -3.433 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 14 +ATOM 21045 H HZ2 . TRP A 1 18 ? -6.875 4.426 -5.823 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 14 +ATOM 21046 H HZ3 . TRP A 1 18 ? -5.841 2.239 -2.314 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 14 +ATOM 21047 H HH2 . TRP A 1 18 ? -6.126 4.352 -3.486 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 14 +ATOM 21048 N N . ARG A 1 19 ? -9.932 -2.591 -7.105 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 14 +ATOM 21049 C CA . ARG A 1 19 ? -11.128 -2.490 -7.932 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 14 +ATOM 21050 C C . ARG A 1 19 ? -12.348 -3.001 -7.175 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 14 +ATOM 21051 O O . ARG A 1 19 ? -13.474 -2.553 -7.399 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 14 +ATOM 21052 C CB . ARG A 1 19 ? -10.923 -3.263 -9.229 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 14 +ATOM 21053 C CG . ARG A 1 19 ? -9.792 -2.704 -10.066 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 14 +ATOM 21054 C CD . ARG A 1 19 ? -9.484 -3.563 -11.266 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 14 +ATOM 21055 N NE . ARG A 1 19 ? -8.322 -3.046 -11.986 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 14 +ATOM 21056 C CZ . ARG A 1 19 ? -7.579 -3.714 -12.871 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 14 +ATOM 21057 N NH1 . ARG A 1 19 ? -7.929 -4.933 -13.256 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 14 +ATOM 21058 N NH2 . ARG A 1 19 ? -6.506 -3.129 -13.399 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 14 +ATOM 21059 H H . ARG A 1 19 ? -9.264 -3.289 -7.296 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 14 +ATOM 21060 H HA . ARG A 1 19 ? -11.279 -1.447 -8.165 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 14 +ATOM 21061 H HB2 . ARG A 1 19 ? -10.687 -4.287 -8.977 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 14 +ATOM 21062 H HB3 . ARG A 1 19 ? -11.831 -3.241 -9.811 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 14 +ATOM 21063 H HG2 . ARG A 1 19 ? -10.054 -1.714 -10.406 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 14 +ATOM 21064 H HG3 . ARG A 1 19 ? -8.909 -2.638 -9.446 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 14 +ATOM 21065 H HD2 . ARG A 1 19 ? -9.270 -4.564 -10.922 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 14 +ATOM 21066 H HD3 . ARG A 1 19 ? -10.338 -3.568 -11.927 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 14 +ATOM 21067 H HE . ARG A 1 19 ? -8.075 -2.119 -11.766 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 14 +ATOM 21068 H HH11 . ARG A 1 19 ? -8.752 -5.389 -12.909 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 14 +ATOM 21069 H HH12 . ARG A 1 19 ? -7.381 -5.446 -13.922 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 14 +ATOM 21070 H HH21 . ARG A 1 19 ? -6.237 -2.188 -13.161 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 14 +ATOM 21071 H HH22 . ARG A 1 19 ? -5.901 -3.587 -14.057 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 14 +ATOM 21072 N N . LYS A 1 20 ? -12.111 -3.929 -6.272 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 14 +ATOM 21073 C CA . LYS A 1 20 ? -13.153 -4.505 -5.440 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 14 +ATOM 21074 C C . LYS A 1 20 ? -13.538 -3.532 -4.309 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 14 +ATOM 21075 O O . LYS A 1 20 ? -14.659 -3.566 -3.789 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 14 +ATOM 21076 C CB . LYS A 1 20 ? -12.664 -5.838 -4.858 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 14 +ATOM 21077 C CG . LYS A 1 20 ? -13.689 -6.560 -4.022 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 14 +ATOM 21078 C CD . LYS A 1 20 ? -13.156 -7.867 -3.488 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 14 +ATOM 21079 C CE . LYS A 1 20 ? -14.187 -8.551 -2.614 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 14 +ATOM 21080 N NZ . LYS A 1 20 ? -15.436 -8.879 -3.356 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 14 +ATOM 21081 H H . LYS A 1 20 ? -11.190 -4.252 -6.163 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 14 +ATOM 21082 H HA . LYS A 1 20 ? -14.023 -4.690 -6.053 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 14 +ATOM 21083 H HB2 . LYS A 1 20 ? -12.371 -6.490 -5.666 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 14 +ATOM 21084 H HB3 . LYS A 1 20 ? -11.801 -5.643 -4.239 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 14 +ATOM 21085 H HG2 . LYS A 1 20 ? -13.980 -5.930 -3.195 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 14 +ATOM 21086 H HG3 . LYS A 1 20 ? -14.546 -6.762 -4.645 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 14 +ATOM 21087 H HD2 . LYS A 1 20 ? -12.914 -8.513 -4.319 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 14 +ATOM 21088 H HD3 . LYS A 1 20 ? -12.265 -7.683 -2.907 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 14 +ATOM 21089 H HE2 . LYS A 1 20 ? -13.750 -9.454 -2.220 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 14 +ATOM 21090 H HE3 . LYS A 1 20 ? -14.422 -7.878 -1.803 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 14 +ATOM 21091 H HZ1 . LYS A 1 20 ? -15.885 -8.036 -3.769 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 14 +ATOM 21092 H HZ2 . LYS A 1 20 ? -16.131 -9.305 -2.710 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 14 +ATOM 21093 H HZ3 . LYS A 1 20 ? -15.245 -9.566 -4.115 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 14 +ATOM 21094 N N . LEU A 1 21 ? -12.602 -2.684 -3.936 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 14 +ATOM 21095 C CA . LEU A 1 21 ? -12.809 -1.678 -2.906 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 14 +ATOM 21096 C C . LEU A 1 21 ? -13.852 -0.669 -3.307 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 14 +ATOM 21097 O O . LEU A 1 21 ? -14.061 -0.400 -4.500 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 14 +ATOM 21098 C CB . LEU A 1 21 ? -11.513 -0.943 -2.584 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 14 +ATOM 21099 C CG . LEU A 1 21 ? -10.833 -1.292 -1.266 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 14 +ATOM 21100 C CD1 . LEU A 1 21 ? -10.456 -2.754 -1.199 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 14 +ATOM 21101 C CD2 . LEU A 1 21 ? -9.622 -0.419 -1.072 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 14 +ATOM 21102 H H . LEU A 1 21 ? -11.724 -2.747 -4.372 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 14 +ATOM 21103 H HA . LEU A 1 21 ? -13.139 -2.183 -2.010 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 14 +ATOM 21104 H HB2 . LEU A 1 21 ? -10.814 -1.135 -3.385 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 14 +ATOM 21105 H HB3 . LEU A 1 21 ? -11.732 0.115 -2.578 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 14 +ATOM 21106 H HG . LEU A 1 21 ? -11.516 -1.091 -0.455 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 14 +ATOM 21107 H HD11 . LEU A 1 21 ? -9.970 -2.953 -0.256 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 14 +ATOM 21108 H HD12 . LEU A 1 21 ? -9.793 -3.000 -2.015 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 14 +ATOM 21109 H HD13 . LEU A 1 21 ? -11.356 -3.347 -1.270 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 14 +ATOM 21110 H HD21 . LEU A 1 21 ? -9.942 0.612 -1.059 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 14 +ATOM 21111 H HD22 . LEU A 1 21 ? -8.925 -0.573 -1.883 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 14 +ATOM 21112 H HD23 . LEU A 1 21 ? -9.152 -0.660 -0.131 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 14 +ATOM 21113 N N . GLY A 1 22 ? -14.511 -0.127 -2.319 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 14 +ATOM 21114 C CA . GLY A 1 22 ? -15.497 0.881 -2.557 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 14 +ATOM 21115 C C . GLY A 1 22 ? -14.853 2.154 -3.017 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 14 +ATOM 21116 O O . GLY A 1 22 ? -13.733 2.469 -2.581 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 14 +ATOM 21117 H H . GLY A 1 22 ? -14.316 -0.421 -1.402 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 14 +ATOM 21118 H HA2 . GLY A 1 22 ? -16.192 0.537 -3.309 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 14 +ATOM 21119 H HA3 . GLY A 1 22 ? -16.030 1.074 -1.639 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 14 +ATOM 21120 N N . SER A 1 23 ? -15.537 2.867 -3.891 1.00 0.00 ? ? ? ? ? ? 20 SER A N 14 +ATOM 21121 C CA . SER A 1 23 ? -15.087 4.128 -4.463 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 14 +ATOM 21122 C C . SER A 1 23 ? -14.514 5.075 -3.397 1.00 0.00 ? ? ? ? ? ? 20 SER A C 14 +ATOM 21123 O O . SER A 1 23 ? -13.361 5.487 -3.480 1.00 0.00 ? ? ? ? ? ? 20 SER A O 14 +ATOM 21124 C CB . SER A 1 23 ? -16.275 4.787 -5.164 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 14 +ATOM 21125 O OG . SER A 1 23 ? -16.874 3.875 -6.078 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 14 +ATOM 21126 H H . SER A 1 23 ? -16.403 2.523 -4.204 1.00 0.00 ? ? ? ? ? ? 20 SER A H 14 +ATOM 21127 H HA . SER A 1 23 ? -14.333 3.918 -5.206 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 14 +ATOM 21128 H HB2 . SER A 1 23 ? -17.011 5.081 -4.429 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 14 +ATOM 21129 H HB3 . SER A 1 23 ? -15.936 5.655 -5.709 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 14 +ATOM 21130 H HG . SER A 1 23 ? -17.755 3.640 -5.758 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 14 +ATOM 21131 N N . THR A 1 24 ? -15.286 5.310 -2.364 1.00 0.00 ? ? ? ? ? ? 21 THR A N 14 +ATOM 21132 C CA . THR A 1 24 ? -14.930 6.250 -1.320 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 14 +ATOM 21133 C C . THR A 1 24 ? -13.744 5.721 -0.508 1.00 0.00 ? ? ? ? ? ? 21 THR A C 14 +ATOM 21134 O O . THR A 1 24 ? -12.851 6.482 -0.116 1.00 0.00 ? ? ? ? ? ? 21 THR A O 14 +ATOM 21135 C CB . THR A 1 24 ? -16.134 6.484 -0.379 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 14 +ATOM 21136 O OG1 . THR A 1 24 ? -17.330 6.663 -1.167 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 14 +ATOM 21137 C CG2 . THR A 1 24 ? -15.925 7.733 0.469 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 14 +ATOM 21138 H H . THR A 1 24 ? -16.124 4.806 -2.312 1.00 0.00 ? ? ? ? ? ? 21 THR A H 14 +ATOM 21139 H HA . THR A 1 24 ? -14.660 7.190 -1.778 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 14 +ATOM 21140 H HB . THR A 1 24 ? -16.246 5.628 0.267 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 14 +ATOM 21141 H HG1 . THR A 1 24 ? -17.055 6.953 -2.050 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 14 +ATOM 21142 H HG21 . THR A 1 24 ? -15.827 8.593 -0.177 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 14 +ATOM 21143 H HG22 . THR A 1 24 ? -15.027 7.623 1.058 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 14 +ATOM 21144 H HG23 . THR A 1 24 ? -16.772 7.870 1.125 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 14 +ATOM 21145 N N . VAL A 1 25 ? -13.718 4.412 -0.309 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 14 +ATOM 21146 C CA . VAL A 1 25 ? -12.686 3.774 0.481 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 14 +ATOM 21147 C C . VAL A 1 25 ? -11.346 3.890 -0.219 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 14 +ATOM 21148 O O . VAL A 1 25 ? -10.355 4.337 0.373 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 14 +ATOM 21149 C CB . VAL A 1 25 ? -13.030 2.274 0.707 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 14 +ATOM 21150 C CG1 . VAL A 1 25 ? -11.907 1.537 1.406 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 14 +ATOM 21151 C CG2 . VAL A 1 25 ? -14.311 2.145 1.506 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 14 +ATOM 21152 H H . VAL A 1 25 ? -14.402 3.856 -0.735 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 14 +ATOM 21153 H HA . VAL A 1 25 ? -12.637 4.264 1.441 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 14 +ATOM 21154 H HB . VAL A 1 25 ? -13.192 1.814 -0.258 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 14 +ATOM 21155 H HG11 . VAL A 1 25 ? -10.995 1.636 0.837 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 14 +ATOM 21156 H HG12 . VAL A 1 25 ? -12.165 0.491 1.490 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 14 +ATOM 21157 H HG13 . VAL A 1 25 ? -11.768 1.949 2.393 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 14 +ATOM 21158 H HG21 . VAL A 1 25 ? -15.128 2.554 0.933 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 14 +ATOM 21159 H HG22 . VAL A 1 25 ? -14.211 2.696 2.430 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 14 +ATOM 21160 H HG23 . VAL A 1 25 ? -14.505 1.107 1.729 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 14 +ATOM 21161 N N . ARG A 1 26 ? -11.332 3.560 -1.487 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 14 +ATOM 21162 C CA . ARG A 1 26 ? -10.119 3.638 -2.243 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 14 +ATOM 21163 C C . ARG A 1 26 ? -9.662 5.068 -2.477 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 14 +ATOM 21164 O O . ARG A 1 26 ? -8.479 5.334 -2.482 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 14 +ATOM 21165 C CB . ARG A 1 26 ? -10.148 2.831 -3.522 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 14 +ATOM 21166 C CG . ARG A 1 26 ? -11.269 3.140 -4.484 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 14 +ATOM 21167 C CD . ARG A 1 26 ? -10.881 2.583 -5.828 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 14 +ATOM 21168 N NE . ARG A 1 26 ? -11.849 2.825 -6.888 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 14 +ATOM 21169 C CZ . ARG A 1 26 ? -11.921 2.085 -8.009 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 14 +ATOM 21170 N NH1 . ARG A 1 26 ? -11.203 0.965 -8.117 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 14 +ATOM 21171 N NH2 . ARG A 1 26 ? -12.744 2.433 -8.987 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 14 +ATOM 21172 H H . ARG A 1 26 ? -12.166 3.255 -1.912 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 14 +ATOM 21173 H HA . ARG A 1 26 ? -9.372 3.205 -1.594 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 14 +ATOM 21174 H HB2 . ARG A 1 26 ? -9.215 2.984 -4.045 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 14 +ATOM 21175 H HB3 . ARG A 1 26 ? -10.216 1.786 -3.253 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 14 +ATOM 21176 H HG2 . ARG A 1 26 ? -12.129 2.596 -4.116 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 14 +ATOM 21177 H HG3 . ARG A 1 26 ? -11.525 4.191 -4.516 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 14 +ATOM 21178 H HD2 . ARG A 1 26 ? -9.943 3.036 -6.113 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 14 +ATOM 21179 H HD3 . ARG A 1 26 ? -10.735 1.518 -5.718 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 14 +ATOM 21180 H HE . ARG A 1 26 ? -12.424 3.615 -6.768 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 14 +ATOM 21181 H HH11 . ARG A 1 26 ? -10.610 0.640 -7.376 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 14 +ATOM 21182 H HH12 . ARG A 1 26 ? -11.228 0.430 -8.965 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 14 +ATOM 21183 H HH21 . ARG A 1 26 ? -13.332 3.242 -8.924 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 14 +ATOM 21184 H HH22 . ARG A 1 26 ? -12.817 1.903 -9.839 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 14 +ATOM 21185 N N . GLU A 1 27 ? -10.607 5.984 -2.665 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 14 +ATOM 21186 C CA . GLU A 1 27 ? -10.281 7.399 -2.836 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 14 +ATOM 21187 C C . GLU A 1 27 ? -9.497 7.953 -1.665 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 14 +ATOM 21188 O O . GLU A 1 27 ? -8.522 8.680 -1.852 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 14 +ATOM 21189 C CB . GLU A 1 27 ? -11.529 8.236 -3.081 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 14 +ATOM 21190 C CG . GLU A 1 27 ? -12.050 8.140 -4.500 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 14 +ATOM 21191 C CD . GLU A 1 27 ? -13.208 9.063 -4.763 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 14 +ATOM 21192 O OE1 . GLU A 1 27 ? -12.997 10.302 -4.805 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 14 +ATOM 21193 O OE2 . GLU A 1 27 ? -14.324 8.589 -4.990 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 14 +ATOM 21194 H H . GLU A 1 27 ? -11.549 5.705 -2.708 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 14 +ATOM 21195 H HA . GLU A 1 27 ? -9.651 7.467 -3.711 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 14 +ATOM 21196 H HB2 . GLU A 1 27 ? -12.296 7.857 -2.422 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 14 +ATOM 21197 H HB3 . GLU A 1 27 ? -11.348 9.267 -2.821 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 14 +ATOM 21198 H HG2 . GLU A 1 27 ? -11.251 8.387 -5.182 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 14 +ATOM 21199 H HG3 . GLU A 1 27 ? -12.368 7.124 -4.682 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 14 +ATOM 21200 N N . GLN A 1 28 ? -9.887 7.574 -0.470 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 14 +ATOM 21201 C CA . GLN A 1 28 ? -9.221 8.038 0.723 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 14 +ATOM 21202 C C . GLN A 1 28 ? -7.833 7.411 0.855 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 14 +ATOM 21203 O O . GLN A 1 28 ? -6.879 8.065 1.310 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 14 +ATOM 21204 C CB . GLN A 1 28 ? -10.075 7.733 1.912 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 14 +ATOM 21205 C CG . GLN A 1 28 ? -11.320 8.569 2.007 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 14 +ATOM 21206 C CD . GLN A 1 28 ? -12.296 8.007 3.000 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 14 +ATOM 21207 O OE1 . GLN A 1 28 ? -12.266 8.311 4.187 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 14 +ATOM 21208 N NE2 . GLN A 1 28 ? -13.167 7.181 2.519 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 14 +ATOM 21209 H H . GLN A 1 28 ? -10.637 6.944 -0.372 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 14 +ATOM 21210 H HA . GLN A 1 28 ? -9.109 9.109 0.637 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 14 +ATOM 21211 H HB2 . GLN A 1 28 ? -10.389 6.704 1.819 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 14 +ATOM 21212 H HB3 . GLN A 1 28 ? -9.489 7.874 2.809 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 14 +ATOM 21213 H HG2 . GLN A 1 28 ? -11.041 9.566 2.312 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 14 +ATOM 21214 H HG3 . GLN A 1 28 ? -11.789 8.607 1.034 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 14 +ATOM 21215 H HE21 . GLN A 1 28 ? -13.094 7.009 1.549 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 14 +ATOM 21216 H HE22 . GLN A 1 28 ? -13.853 6.779 3.092 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 14 +ATOM 21217 N N . LEU A 1 29 ? -7.721 6.156 0.439 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 14 +ATOM 21218 C CA . LEU A 1 29 ? -6.445 5.455 0.439 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 14 +ATOM 21219 C C . LEU A 1 29 ? -5.519 6.052 -0.598 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 14 +ATOM 21220 O O . LEU A 1 29 ? -4.332 6.213 -0.354 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 14 +ATOM 21221 C CB . LEU A 1 29 ? -6.634 3.965 0.167 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 14 +ATOM 21222 C CG . LEU A 1 29 ? -7.335 3.155 1.264 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 14 +ATOM 21223 C CD1 . LEU A 1 29 ? -7.549 1.733 0.808 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 14 +ATOM 21224 C CD2 . LEU A 1 29 ? -6.511 3.161 2.546 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 14 +ATOM 21225 H H . LEU A 1 29 ? -8.524 5.683 0.127 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 14 +ATOM 21226 H HA . LEU A 1 29 ? -5.996 5.582 1.412 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 14 +ATOM 21227 H HB2 . LEU A 1 29 ? -7.207 3.888 -0.745 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 14 +ATOM 21228 H HB3 . LEU A 1 29 ? -5.660 3.534 -0.012 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 14 +ATOM 21229 H HG . LEU A 1 29 ? -8.299 3.595 1.476 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 14 +ATOM 21230 H HD11 . LEU A 1 29 ? -8.152 1.728 -0.089 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 14 +ATOM 21231 H HD12 . LEU A 1 29 ? -8.059 1.179 1.584 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 14 +ATOM 21232 H HD13 . LEU A 1 29 ? -6.596 1.270 0.602 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 14 +ATOM 21233 H HD21 . LEU A 1 29 ? -5.538 2.736 2.352 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 14 +ATOM 21234 H HD22 . LEU A 1 29 ? -7.014 2.568 3.296 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 14 +ATOM 21235 H HD23 . LEU A 1 29 ? -6.399 4.173 2.907 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 14 +ATOM 21236 N N . LYS A 1 30 ? -6.082 6.394 -1.745 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 14 +ATOM 21237 C CA . LYS A 1 30 ? -5.342 7.017 -2.822 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 14 +ATOM 21238 C C . LYS A 1 30 ? -4.745 8.336 -2.363 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 14 +ATOM 21239 O O . LYS A 1 30 ? -3.605 8.636 -2.667 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 14 +ATOM 21240 C CB . LYS A 1 30 ? -6.230 7.266 -4.026 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 14 +ATOM 21241 C CG . LYS A 1 30 ? -5.474 7.873 -5.192 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 14 +ATOM 21242 C CD . LYS A 1 30 ? -6.387 8.346 -6.298 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 14 +ATOM 21243 C CE . LYS A 1 30 ? -7.205 9.551 -5.861 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 14 +ATOM 21244 N NZ . LYS A 1 30 ? -8.038 10.073 -6.960 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 14 +ATOM 21245 H H . LYS A 1 30 ? -7.033 6.179 -1.878 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 14 +ATOM 21246 H HA . LYS A 1 30 ? -4.542 6.353 -3.107 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 14 +ATOM 21247 H HB2 . LYS A 1 30 ? -6.663 6.325 -4.339 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 14 +ATOM 21248 H HB3 . LYS A 1 30 ? -7.022 7.935 -3.727 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 14 +ATOM 21249 H HG2 . LYS A 1 30 ? -4.929 8.723 -4.807 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 14 +ATOM 21250 H HG3 . LYS A 1 30 ? -4.779 7.141 -5.578 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 14 +ATOM 21251 H HD2 . LYS A 1 30 ? -5.793 8.616 -7.157 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 14 +ATOM 21252 H HD3 . LYS A 1 30 ? -7.058 7.541 -6.557 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 14 +ATOM 21253 H HE2 . LYS A 1 30 ? -7.850 9.263 -5.045 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 14 +ATOM 21254 H HE3 . LYS A 1 30 ? -6.527 10.322 -5.523 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 14 +ATOM 21255 H HZ1 . LYS A 1 30 ? -7.451 10.376 -7.765 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 14 +ATOM 21256 H HZ2 . LYS A 1 30 ? -8.590 10.894 -6.642 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 14 +ATOM 21257 H HZ3 . LYS A 1 30 ? -8.700 9.346 -7.293 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 14 +ATOM 21258 N N . LYS A 1 31 ? -5.532 9.114 -1.626 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 14 +ATOM 21259 C CA . LYS A 1 31 ? -5.056 10.381 -1.062 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 14 +ATOM 21260 C C . LYS A 1 31 ? -3.832 10.131 -0.195 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 14 +ATOM 21261 O O . LYS A 1 31 ? -2.840 10.870 -0.263 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 14 +ATOM 21262 C CB . LYS A 1 31 ? -6.149 11.065 -0.240 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 14 +ATOM 21263 C CG . LYS A 1 31 ? -7.350 11.498 -1.036 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 14 +ATOM 21264 C CD . LYS A 1 31 ? -8.375 12.148 -0.131 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 14 +ATOM 21265 C CE . LYS A 1 31 ? -9.588 12.590 -0.908 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 14 +ATOM 21266 N NZ . LYS A 1 31 ? -9.252 13.601 -1.936 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 14 +ATOM 21267 H H . LYS A 1 31 ? -6.459 8.824 -1.486 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 14 +ATOM 21268 H HA . LYS A 1 31 ? -4.772 11.023 -1.883 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 14 +ATOM 21269 H HB2 . LYS A 1 31 ? -6.508 10.381 0.514 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 14 +ATOM 21270 H HB3 . LYS A 1 31 ? -5.743 11.940 0.241 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 14 +ATOM 21271 H HG2 . LYS A 1 31 ? -7.037 12.204 -1.792 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 14 +ATOM 21272 H HG3 . LYS A 1 31 ? -7.791 10.635 -1.512 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 14 +ATOM 21273 H HD2 . LYS A 1 31 ? -8.682 11.439 0.623 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 14 +ATOM 21274 H HD3 . LYS A 1 31 ? -7.925 13.007 0.344 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 14 +ATOM 21275 H HE2 . LYS A 1 31 ? -9.990 11.712 -1.392 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 14 +ATOM 21276 H HE3 . LYS A 1 31 ? -10.310 12.995 -0.216 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 14 +ATOM 21277 H HZ1 . LYS A 1 31 ? -8.799 14.438 -1.521 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 14 +ATOM 21278 H HZ2 . LYS A 1 31 ? -10.104 13.915 -2.440 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 14 +ATOM 21279 H HZ3 . LYS A 1 31 ? -8.617 13.204 -2.659 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 14 +ATOM 21280 N N . LYS A 1 32 ? -3.892 9.059 0.579 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 14 +ATOM 21281 C CA . LYS A 1 32 ? -2.778 8.643 1.397 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 14 +ATOM 21282 C C . LYS A 1 32 ? -1.580 8.247 0.573 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 14 +ATOM 21283 O O . LYS A 1 32 ? -0.456 8.549 0.942 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 14 +ATOM 21284 C CB . LYS A 1 32 ? -3.165 7.557 2.401 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 14 +ATOM 21285 C CG . LYS A 1 32 ? -4.066 8.041 3.521 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 14 +ATOM 21286 C CD . LYS A 1 32 ? -3.374 9.135 4.293 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 14 +ATOM 21287 C CE . LYS A 1 32 ? -4.200 9.652 5.433 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 14 +ATOM 21288 N NZ . LYS A 1 32 ? -3.544 10.812 6.079 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 14 +ATOM 21289 H H . LYS A 1 32 ? -4.727 8.545 0.600 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 14 +ATOM 21290 H HA . LYS A 1 32 ? -2.463 9.516 1.935 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 14 +ATOM 21291 H HB2 . LYS A 1 32 ? -3.682 6.770 1.872 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 14 +ATOM 21292 H HB3 . LYS A 1 32 ? -2.264 7.155 2.841 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 14 +ATOM 21293 H HG2 . LYS A 1 32 ? -4.983 8.426 3.099 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 14 +ATOM 21294 H HG3 . LYS A 1 32 ? -4.285 7.217 4.186 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 14 +ATOM 21295 H HD2 . LYS A 1 32 ? -2.436 8.767 4.681 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 14 +ATOM 21296 H HD3 . LYS A 1 32 ? -3.187 9.954 3.615 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 14 +ATOM 21297 H HE2 . LYS A 1 32 ? -5.177 9.918 5.058 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 14 +ATOM 21298 H HE3 . LYS A 1 32 ? -4.296 8.848 6.148 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 14 +ATOM 21299 H HZ1 . LYS A 1 32 ? -3.239 11.491 5.344 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 14 +ATOM 21300 H HZ2 . LYS A 1 32 ? -2.717 10.523 6.636 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 14 +ATOM 21301 H HZ3 . LYS A 1 32 ? -4.209 11.305 6.709 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 14 +ATOM 21302 N N . LEU A 1 33 ? -1.822 7.610 -0.541 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 14 +ATOM 21303 C CA . LEU A 1 33 ? -0.762 7.237 -1.455 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 14 +ATOM 21304 C C . LEU A 1 33 ? -0.109 8.492 -2.030 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 14 +ATOM 21305 O O . LEU A 1 33 ? 1.113 8.589 -2.129 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 14 +ATOM 21306 C CB . LEU A 1 33 ? -1.314 6.362 -2.579 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 14 +ATOM 21307 C CG . LEU A 1 33 ? -1.981 5.060 -2.138 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 14 +ATOM 21308 C CD1 . LEU A 1 33 ? -2.544 4.315 -3.325 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 14 +ATOM 21309 C CD2 . LEU A 1 33 ? -1.002 4.185 -1.374 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 14 +ATOM 21310 H H . LEU A 1 33 ? -2.751 7.370 -0.751 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 14 +ATOM 21311 H HA . LEU A 1 33 ? -0.029 6.676 -0.896 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 14 +ATOM 21312 H HB2 . LEU A 1 33 ? -2.038 6.944 -3.130 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 14 +ATOM 21313 H HB3 . LEU A 1 33 ? -0.497 6.114 -3.242 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 14 +ATOM 21314 H HG . LEU A 1 33 ? -2.803 5.300 -1.478 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 14 +ATOM 21315 H HD11 . LEU A 1 33 ? -1.746 4.068 -4.008 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 14 +ATOM 21316 H HD12 . LEU A 1 33 ? -3.267 4.933 -3.835 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 14 +ATOM 21317 H HD13 . LEU A 1 33 ? -3.020 3.406 -2.989 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 14 +ATOM 21318 H HD21 . LEU A 1 33 ? -0.671 4.723 -0.497 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 14 +ATOM 21319 H HD22 . LEU A 1 33 ? -0.155 3.943 -1.996 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 14 +ATOM 21320 H HD23 . LEU A 1 33 ? -1.495 3.276 -1.065 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 14 +ATOM 21321 N N . VAL A 1 34 ? -0.930 9.464 -2.358 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 14 +ATOM 21322 C CA . VAL A 1 34 ? -0.457 10.712 -2.912 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 14 +ATOM 21323 C C . VAL A 1 34 ? 0.395 11.496 -1.896 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 14 +ATOM 21324 O O . VAL A 1 34 ? 1.491 11.972 -2.235 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 14 +ATOM 21325 C CB . VAL A 1 34 ? -1.650 11.579 -3.424 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 14 +ATOM 21326 C CG1 . VAL A 1 34 ? -1.187 12.938 -3.922 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 14 +ATOM 21327 C CG2 . VAL A 1 34 ? -2.378 10.846 -4.532 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 14 +ATOM 21328 H H . VAL A 1 34 ? -1.894 9.315 -2.237 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 14 +ATOM 21329 H HA . VAL A 1 34 ? 0.170 10.469 -3.757 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 14 +ATOM 21330 H HB . VAL A 1 34 ? -2.353 11.730 -2.617 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 14 +ATOM 21331 H HG11 . VAL A 1 34 ? -0.704 13.460 -3.108 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 14 +ATOM 21332 H HG12 . VAL A 1 34 ? -2.042 13.505 -4.259 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 14 +ATOM 21333 H HG13 . VAL A 1 34 ? -0.488 12.808 -4.735 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 14 +ATOM 21334 H HG21 . VAL A 1 34 ? -2.756 9.917 -4.128 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 14 +ATOM 21335 H HG22 . VAL A 1 34 ? -1.694 10.642 -5.343 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 14 +ATOM 21336 H HG23 . VAL A 1 34 ? -3.202 11.448 -4.882 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 14 +ATOM 21337 N N . GLU A 1 35 ? -0.067 11.599 -0.651 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 14 +ATOM 21338 C CA . GLU A 1 35 ? 0.712 12.300 0.369 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 14 +ATOM 21339 C C . GLU A 1 35 ? 1.977 11.530 0.750 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 14 +ATOM 21340 O O . GLU A 1 35 ? 3.038 12.120 0.943 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 14 +ATOM 21341 C CB . GLU A 1 35 ? -0.106 12.662 1.623 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 14 +ATOM 21342 C CG . GLU A 1 35 ? -0.697 11.485 2.357 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 14 +ATOM 21343 C CD . GLU A 1 35 ? -1.231 11.844 3.720 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 14 +ATOM 21344 O OE1 . GLU A 1 35 ? -0.454 11.820 4.695 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 14 +ATOM 21345 O OE2 . GLU A 1 35 ? -2.438 12.125 3.860 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 14 +ATOM 21346 H H . GLU A 1 35 ? -0.946 11.218 -0.425 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 14 +ATOM 21347 H HA . GLU A 1 35 ? 1.044 13.215 -0.101 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 14 +ATOM 21348 H HB2 . GLU A 1 35 ? 0.528 13.196 2.313 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 14 +ATOM 21349 H HB3 . GLU A 1 35 ? -0.915 13.309 1.316 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 14 +ATOM 21350 H HG2 . GLU A 1 35 ? -1.514 11.120 1.754 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 14 +ATOM 21351 H HG3 . GLU A 1 35 ? 0.053 10.713 2.457 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 14 +ATOM 21352 N N . VAL A 1 36 ? 1.870 10.206 0.813 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 14 +ATOM 21353 C CA . VAL A 1 36 ? 2.974 9.373 1.234 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 14 +ATOM 21354 C C . VAL A 1 36 ? 4.155 9.460 0.267 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 14 +ATOM 21355 O O . VAL A 1 36 ? 5.267 9.361 0.673 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 14 +ATOM 21356 C CB . VAL A 1 36 ? 2.576 7.894 1.543 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 14 +ATOM 21357 C CG1 . VAL A 1 36 ? 2.353 7.066 0.290 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 14 +ATOM 21358 C CG2 . VAL A 1 36 ? 3.599 7.246 2.428 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 14 +ATOM 21359 H H . VAL A 1 36 ? 1.015 9.773 0.589 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 14 +ATOM 21360 H HA . VAL A 1 36 ? 3.319 9.828 2.153 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 14 +ATOM 21361 H HB . VAL A 1 36 ? 1.641 7.918 2.084 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 14 +ATOM 21362 H HG11 . VAL A 1 36 ? 3.283 6.991 -0.254 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 14 +ATOM 21363 H HG12 . VAL A 1 36 ? 1.627 7.570 -0.330 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 14 +ATOM 21364 H HG13 . VAL A 1 36 ? 1.999 6.081 0.553 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 14 +ATOM 21365 H HG21 . VAL A 1 36 ? 3.241 6.275 2.741 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 14 +ATOM 21366 H HG22 . VAL A 1 36 ? 3.818 7.865 3.285 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 14 +ATOM 21367 H HG23 . VAL A 1 36 ? 4.479 7.105 1.820 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 14 +ATOM 21368 N N . LEU A 1 37 ? 3.889 9.674 -1.004 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 14 +ATOM 21369 C CA . LEU A 1 37 ? 4.940 9.777 -2.030 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 14 +ATOM 21370 C C . LEU A 1 37 ? 6.001 10.838 -1.720 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 14 +ATOM 21371 O O . LEU A 1 37 ? 7.140 10.707 -2.162 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 14 +ATOM 21372 C CB . LEU A 1 37 ? 4.346 10.075 -3.400 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 14 +ATOM 21373 C CG . LEU A 1 37 ? 3.489 8.990 -4.022 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 14 +ATOM 21374 C CD1 . LEU A 1 37 ? 2.954 9.454 -5.363 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 14 +ATOM 21375 C CD2 . LEU A 1 37 ? 4.296 7.719 -4.174 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 14 +ATOM 21376 H H . LEU A 1 37 ? 2.951 9.735 -1.275 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 14 +ATOM 21377 H HA . LEU A 1 37 ? 5.432 8.817 -2.079 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 14 +ATOM 21378 H HB2 . LEU A 1 37 ? 3.737 10.963 -3.304 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 14 +ATOM 21379 H HB3 . LEU A 1 37 ? 5.158 10.292 -4.076 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 14 +ATOM 21380 H HG . LEU A 1 37 ? 2.648 8.785 -3.377 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 14 +ATOM 21381 H HD11 . LEU A 1 37 ? 2.347 8.679 -5.808 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 14 +ATOM 21382 H HD12 . LEU A 1 37 ? 3.787 9.690 -6.009 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 14 +ATOM 21383 H HD13 . LEU A 1 37 ? 2.357 10.341 -5.218 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 14 +ATOM 21384 H HD21 . LEU A 1 37 ? 4.565 7.338 -3.200 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 14 +ATOM 21385 H HD22 . LEU A 1 37 ? 5.199 7.945 -4.722 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 14 +ATOM 21386 H HD23 . LEU A 1 37 ? 3.731 6.977 -4.716 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 14 +ATOM 21387 N N . GLU A 1 38 ? 5.643 11.871 -0.975 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 14 +ATOM 21388 C CA . GLU A 1 38 ? 6.608 12.915 -0.670 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 14 +ATOM 21389 C C . GLU A 1 38 ? 7.261 12.680 0.693 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 14 +ATOM 21390 O O . GLU A 1 38 ? 8.217 13.368 1.065 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 14 +ATOM 21391 C CB . GLU A 1 38 ? 5.986 14.312 -0.757 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 14 +ATOM 21392 C CG . GLU A 1 38 ? 4.890 14.583 0.249 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 14 +ATOM 21393 C CD . GLU A 1 38 ? 4.337 15.971 0.129 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 14 +ATOM 21394 O OE1 . GLU A 1 38 ? 4.922 16.910 0.705 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 14 +ATOM 21395 O OE2 . GLU A 1 38 ? 3.302 16.152 -0.551 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 14 +ATOM 21396 H H . GLU A 1 38 ? 4.729 11.927 -0.622 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 14 +ATOM 21397 H HA . GLU A 1 38 ? 7.387 12.834 -1.413 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 14 +ATOM 21398 H HB2 . GLU A 1 38 ? 6.766 15.043 -0.603 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 14 +ATOM 21399 H HB3 . GLU A 1 38 ? 5.578 14.446 -1.748 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 14 +ATOM 21400 H HG2 . GLU A 1 38 ? 4.091 13.873 0.094 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 14 +ATOM 21401 H HG3 . GLU A 1 38 ? 5.297 14.453 1.242 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 14 +ATOM 21402 N N . SER A 1 39 ? 6.757 11.713 1.426 1.00 0.00 ? ? ? ? ? ? 36 SER A N 14 +ATOM 21403 C CA . SER A 1 39 ? 7.284 11.366 2.733 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 14 +ATOM 21404 C C . SER A 1 39 ? 6.964 9.888 3.067 1.00 0.00 ? ? ? ? ? ? 36 SER A C 14 +ATOM 21405 O O . SER A 1 39 ? 6.200 9.617 3.966 1.00 0.00 ? ? ? ? ? ? 36 SER A O 14 +ATOM 21406 C CB . SER A 1 39 ? 6.695 12.320 3.797 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 14 +ATOM 21407 O OG . SER A 1 39 ? 5.259 12.335 3.738 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 14 +ATOM 21408 H H . SER A 1 39 ? 6.012 11.177 1.074 1.00 0.00 ? ? ? ? ? ? 36 SER A H 14 +ATOM 21409 H HA . SER A 1 39 ? 8.357 11.486 2.710 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 14 +ATOM 21410 H HB2 . SER A 1 39 ? 6.998 11.994 4.781 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 14 +ATOM 21411 H HB3 . SER A 1 39 ? 7.058 13.321 3.623 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 14 +ATOM 21412 H HG . SER A 1 39 ? 4.999 11.408 3.667 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 14 +ATOM 21413 N N . PRO A 1 40 ? 7.502 8.913 2.296 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 14 +ATOM 21414 C CA . PRO A 1 40 ? 7.166 7.489 2.485 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 14 +ATOM 21415 C C . PRO A 1 40 ? 7.913 6.799 3.618 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 14 +ATOM 21416 O O . PRO A 1 40 ? 7.620 5.671 3.953 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 14 +ATOM 21417 C CB . PRO A 1 40 ? 7.524 6.881 1.131 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 14 +ATOM 21418 C CG . PRO A 1 40 ? 8.672 7.699 0.669 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 14 +ATOM 21419 C CD . PRO A 1 40 ? 8.365 9.105 1.102 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 14 +ATOM 21420 H HA . PRO A 1 40 ? 6.112 7.359 2.662 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 14 +ATOM 21421 H HB2 . PRO A 1 40 ? 7.782 5.838 1.232 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 14 +ATOM 21422 H HB3 . PRO A 1 40 ? 6.686 6.982 0.457 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 14 +ATOM 21423 H HG2 . PRO A 1 40 ? 9.583 7.350 1.135 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 14 +ATOM 21424 H HG3 . PRO A 1 40 ? 8.759 7.647 -0.407 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 14 +ATOM 21425 H HD2 . PRO A 1 40 ? 9.258 9.661 1.341 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 14 +ATOM 21426 H HD3 . PRO A 1 40 ? 7.788 9.599 0.330 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 14 +ATOM 21427 N N . ARG A 1 41 ? 8.823 7.493 4.230 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 14 +ATOM 21428 C CA . ARG A 1 41 ? 9.640 6.923 5.296 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 14 +ATOM 21429 C C . ARG A 1 41 ? 9.032 7.152 6.688 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 14 +ATOM 21430 O O . ARG A 1 41 ? 9.744 7.340 7.668 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 14 +ATOM 21431 C CB . ARG A 1 41 ? 11.100 7.428 5.167 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 14 +ATOM 21432 C CG . ARG A 1 41 ? 11.277 8.933 4.892 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 14 +ATOM 21433 C CD . ARG A 1 41 ? 10.968 9.819 6.091 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 14 +ATOM 21434 N NE . ARG A 1 41 ? 11.892 9.578 7.206 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 14 +ATOM 21435 C CZ . ARG A 1 41 ? 11.670 9.943 8.478 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 14 +ATOM 21436 N NH1 . ARG A 1 41 ? 10.563 10.622 8.802 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 14 +ATOM 21437 N NH2 . ARG A 1 41 ? 12.566 9.653 9.413 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 14 +ATOM 21438 H H . ARG A 1 41 ? 8.926 8.425 3.954 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 14 +ATOM 21439 H HA . ARG A 1 41 ? 9.638 5.855 5.129 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 14 +ATOM 21440 H HB2 . ARG A 1 41 ? 11.617 7.204 6.089 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 14 +ATOM 21441 H HB3 . ARG A 1 41 ? 11.578 6.879 4.369 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 14 +ATOM 21442 H HG2 . ARG A 1 41 ? 12.301 9.100 4.603 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 14 +ATOM 21443 H HG3 . ARG A 1 41 ? 10.634 9.210 4.069 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 14 +ATOM 21444 H HD2 . ARG A 1 41 ? 11.051 10.852 5.787 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 14 +ATOM 21445 H HD3 . ARG A 1 41 ? 9.960 9.620 6.423 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 14 +ATOM 21446 H HE . ARG A 1 41 ? 12.723 9.110 6.958 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 14 +ATOM 21447 H HH11 . ARG A 1 41 ? 9.880 10.876 8.111 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 14 +ATOM 21448 H HH12 . ARG A 1 41 ? 10.360 10.924 9.739 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 14 +ATOM 21449 H HH21 . ARG A 1 41 ? 13.421 9.170 9.207 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 14 +ATOM 21450 H HH22 . ARG A 1 41 ? 12.432 9.904 10.375 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 14 +ATOM 21451 N N . ILE A 1 42 ? 7.724 7.017 6.775 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 14 +ATOM 21452 C CA . ILE A 1 42 ? 7.003 7.282 8.011 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 14 +ATOM 21453 C C . ILE A 1 42 ? 7.063 6.071 8.947 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 14 +ATOM 21454 O O . ILE A 1 42 ? 6.479 5.019 8.663 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 14 +ATOM 21455 C CB . ILE A 1 42 ? 5.516 7.664 7.732 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 14 +ATOM 21456 C CG1 . ILE A 1 42 ? 5.456 8.938 6.885 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 14 +ATOM 21457 C CG2 . ILE A 1 42 ? 4.735 7.851 9.035 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 14 +ATOM 21458 C CD1 . ILE A 1 42 ? 4.057 9.358 6.475 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 14 +ATOM 21459 H H . ILE A 1 42 ? 7.241 6.699 5.984 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 14 +ATOM 21460 H HA . ILE A 1 42 ? 7.493 8.121 8.482 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 14 +ATOM 21461 H HB . ILE A 1 42 ? 5.058 6.859 7.178 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 14 +ATOM 21462 H HG12 . ILE A 1 42 ? 5.888 9.754 7.444 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 14 +ATOM 21463 H HG13 . ILE A 1 42 ? 6.035 8.786 5.985 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 14 +ATOM 21464 H HG21 . ILE A 1 42 ? 5.172 8.651 9.613 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 14 +ATOM 21465 H HG22 . ILE A 1 42 ? 4.770 6.936 9.609 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 14 +ATOM 21466 H HG23 . ILE A 1 42 ? 3.707 8.089 8.808 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 14 +ATOM 21467 H HD11 . ILE A 1 42 ? 3.467 9.573 7.354 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 14 +ATOM 21468 H HD12 . ILE A 1 42 ? 3.595 8.559 5.914 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 14 +ATOM 21469 H HD13 . ILE A 1 42 ? 4.123 10.240 5.854 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 14 +ATOM 21470 N N . GLU A 1 43 ? 7.743 6.252 10.075 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 14 +ATOM 21471 C CA . GLU A 1 43 ? 7.957 5.195 11.080 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 14 +ATOM 21472 C C . GLU A 1 43 ? 6.642 4.642 11.608 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 14 +ATOM 21473 O O . GLU A 1 43 ? 6.517 3.449 11.904 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 14 +ATOM 21474 C CB . GLU A 1 43 ? 8.764 5.735 12.271 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 14 +ATOM 21475 C CG . GLU A 1 43 ? 8.134 6.948 12.938 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 14 +ATOM 21476 C CD . GLU A 1 43 ? 8.560 7.109 14.357 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 14 +ATOM 21477 O OE1 . GLU A 1 43 ? 7.934 6.473 15.241 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 14 +ATOM 21478 O OE2 . GLU A 1 43 ? 9.497 7.873 14.633 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 14 +ATOM 21479 H H . GLU A 1 43 ? 8.124 7.143 10.240 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 14 +ATOM 21480 H HA . GLU A 1 43 ? 8.518 4.397 10.619 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 14 +ATOM 21481 H HB2 . GLU A 1 43 ? 8.847 4.956 13.014 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 14 +ATOM 21482 H HB3 . GLU A 1 43 ? 9.754 6.008 11.937 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 14 +ATOM 21483 H HG2 . GLU A 1 43 ? 8.426 7.834 12.397 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 14 +ATOM 21484 H HG3 . GLU A 1 43 ? 7.060 6.842 12.904 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 14 +ATOM 21485 N N . ALA A 1 44 ? 5.666 5.517 11.678 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 14 +ATOM 21486 C CA . ALA A 1 44 ? 4.368 5.220 12.244 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 14 +ATOM 21487 C C . ALA A 1 44 ? 3.584 4.276 11.372 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 14 +ATOM 21488 O O . ALA A 1 44 ? 2.699 3.570 11.844 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 14 +ATOM 21489 C CB . ALA A 1 44 ? 3.596 6.500 12.449 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 14 +ATOM 21490 H H . ALA A 1 44 ? 5.868 6.407 11.325 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 14 +ATOM 21491 H HA . ALA A 1 44 ? 4.526 4.773 13.213 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 14 +ATOM 21492 H HB1 . ALA A 1 44 ? 4.170 7.159 13.083 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 14 +ATOM 21493 H HB2 . ALA A 1 44 ? 2.649 6.278 12.917 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 14 +ATOM 21494 H HB3 . ALA A 1 44 ? 3.422 6.979 11.497 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 14 +ATOM 21495 N N . ASN A 1 45 ? 3.919 4.248 10.113 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 14 +ATOM 21496 C CA . ASN A 1 45 ? 3.208 3.424 9.173 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 14 +ATOM 21497 C C . ASN A 1 45 ? 3.992 2.179 8.836 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 14 +ATOM 21498 O O . ASN A 1 45 ? 3.463 1.272 8.239 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 14 +ATOM 21499 C CB . ASN A 1 45 ? 2.880 4.195 7.877 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 14 +ATOM 21500 C CG . ASN A 1 45 ? 1.870 5.323 8.060 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 14 +ATOM 21501 O OD1 . ASN A 1 45 ? 0.991 5.267 8.921 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 14 +ATOM 21502 N ND2 . ASN A 1 45 ? 1.983 6.351 7.250 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 14 +ATOM 21503 H H . ASN A 1 45 ? 4.685 4.780 9.807 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 14 +ATOM 21504 H HA . ASN A 1 45 ? 2.277 3.130 9.635 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 14 +ATOM 21505 H HB2 . ASN A 1 45 ? 3.791 4.626 7.488 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 14 +ATOM 21506 H HB3 . ASN A 1 45 ? 2.487 3.499 7.150 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 14 +ATOM 21507 H HD21 . ASN A 1 45 ? 2.700 6.339 6.582 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 14 +ATOM 21508 H HD22 . ASN A 1 45 ? 1.347 7.092 7.344 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 14 +ATOM 21509 N N . LYS A 1 46 ? 5.246 2.129 9.219 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 14 +ATOM 21510 C CA . LYS A 1 46 ? 6.094 1.038 8.866 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 14 +ATOM 21511 C C . LYS A 1 46 ? 5.637 -0.272 9.519 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 14 +ATOM 21512 O O . LYS A 1 46 ? 5.159 -0.278 10.660 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 14 +ATOM 21513 C CB . LYS A 1 46 ? 7.515 1.377 9.241 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 14 +ATOM 21514 C CG . LYS A 1 46 ? 8.485 0.667 8.379 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 14 +ATOM 21515 C CD . LYS A 1 46 ? 9.898 1.124 8.617 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 14 +ATOM 21516 C CE . LYS A 1 46 ? 10.832 0.487 7.603 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 14 +ATOM 21517 N NZ . LYS A 1 46 ? 12.232 0.887 7.796 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 14 +ATOM 21518 H H . LYS A 1 46 ? 5.666 2.833 9.751 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 14 +ATOM 21519 H HA . LYS A 1 46 ? 6.046 0.925 7.794 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 14 +ATOM 21520 H HB2 . LYS A 1 46 ? 7.664 2.442 9.136 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 14 +ATOM 21521 H HB3 . LYS A 1 46 ? 7.691 1.090 10.267 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 14 +ATOM 21522 H HG2 . LYS A 1 46 ? 8.383 -0.391 8.555 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 14 +ATOM 21523 H HG3 . LYS A 1 46 ? 8.178 0.920 7.377 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 14 +ATOM 21524 H HD2 . LYS A 1 46 ? 9.925 2.202 8.528 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 14 +ATOM 21525 H HD3 . LYS A 1 46 ? 10.197 0.840 9.613 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 14 +ATOM 21526 H HE2 . LYS A 1 46 ? 10.758 -0.587 7.693 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 14 +ATOM 21527 H HE3 . LYS A 1 46 ? 10.512 0.783 6.615 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 14 +ATOM 21528 H HZ1 . LYS A 1 46 ? 12.564 0.601 8.738 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 14 +ATOM 21529 H HZ2 . LYS A 1 46 ? 12.343 1.918 7.716 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 14 +ATOM 21530 H HZ3 . LYS A 1 46 ? 12.843 0.437 7.083 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 14 +ATOM 21531 N N . LEU A 1 47 ? 5.758 -1.370 8.782 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 14 +ATOM 21532 C CA . LEU A 1 47 ? 5.333 -2.672 9.276 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 14 +ATOM 21533 C C . LEU A 1 47 ? 6.267 -3.216 10.353 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 14 +ATOM 21534 O O . LEU A 1 47 ? 7.373 -2.698 10.553 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 14 +ATOM 21535 C CB . LEU A 1 47 ? 5.170 -3.697 8.142 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 14 +ATOM 21536 C CG . LEU A 1 47 ? 4.079 -3.410 7.102 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 14 +ATOM 21537 C CD1 . LEU A 1 47 ? 3.962 -4.558 6.129 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 14 +ATOM 21538 C CD2 . LEU A 1 47 ? 2.744 -3.160 7.768 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 14 +ATOM 21539 H H . LEU A 1 47 ? 6.145 -1.299 7.880 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 14 +ATOM 21540 H HA . LEU A 1 47 ? 4.368 -2.527 9.739 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 14 +ATOM 21541 H HB2 . LEU A 1 47 ? 6.113 -3.771 7.620 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 14 +ATOM 21542 H HB3 . LEU A 1 47 ? 4.960 -4.658 8.590 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 14 +ATOM 21543 H HG . LEU A 1 47 ? 4.351 -2.529 6.541 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 14 +ATOM 21544 H HD11 . LEU A 1 47 ? 3.743 -5.467 6.670 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 14 +ATOM 21545 H HD12 . LEU A 1 47 ? 4.888 -4.673 5.585 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 14 +ATOM 21546 H HD13 . LEU A 1 47 ? 3.159 -4.357 5.439 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 14 +ATOM 21547 H HD21 . LEU A 1 47 ? 1.986 -3.030 7.010 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 14 +ATOM 21548 H HD22 . LEU A 1 47 ? 2.823 -2.255 8.350 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 14 +ATOM 21549 H HD23 . LEU A 1 47 ? 2.489 -3.991 8.408 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 14 +ATOM 21550 N N . ARG A 1 48 ? 5.808 -4.277 11.014 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 14 +ATOM 21551 C CA . ARG A 1 48 ? 6.515 -4.925 12.123 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 14 +ATOM 21552 C C . ARG A 1 48 ? 7.897 -5.412 11.687 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 14 +ATOM 21553 O O . ARG A 1 48 ? 8.894 -5.212 12.381 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 14 +ATOM 21554 C CB . ARG A 1 48 ? 5.693 -6.119 12.604 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 14 +ATOM 21555 C CG . ARG A 1 48 ? 6.271 -6.859 13.799 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 14 +ATOM 21556 C CD . ARG A 1 48 ? 5.523 -8.159 14.026 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 14 +ATOM 21557 N NE . ARG A 1 48 ? 5.705 -9.082 12.890 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 14 +ATOM 21558 C CZ . ARG A 1 48 ? 4.722 -9.760 12.265 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 14 +ATOM 21559 N NH1 . ARG A 1 48 ? 3.463 -9.661 12.676 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 14 +ATOM 21560 N NH2 . ARG A 1 48 ? 5.011 -10.552 11.238 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 14 +ATOM 21561 H H . ARG A 1 48 ? 4.936 -4.644 10.742 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 14 +ATOM 21562 H HA . ARG A 1 48 ? 6.613 -4.222 12.937 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 14 +ATOM 21563 H HB2 . ARG A 1 48 ? 4.706 -5.771 12.871 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 14 +ATOM 21564 H HB3 . ARG A 1 48 ? 5.602 -6.818 11.785 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 14 +ATOM 21565 H HG2 . ARG A 1 48 ? 7.311 -7.077 13.607 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 14 +ATOM 21566 H HG3 . ARG A 1 48 ? 6.180 -6.236 14.677 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 14 +ATOM 21567 H HD2 . ARG A 1 48 ? 5.888 -8.629 14.928 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 14 +ATOM 21568 H HD3 . ARG A 1 48 ? 4.472 -7.934 14.129 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 14 +ATOM 21569 H HE . ARG A 1 48 ? 6.640 -9.183 12.602 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 14 +ATOM 21570 H HH11 . ARG A 1 48 ? 3.181 -9.101 13.461 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 14 +ATOM 21571 H HH12 . ARG A 1 48 ? 2.710 -10.134 12.209 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 14 +ATOM 21572 H HH21 . ARG A 1 48 ? 5.944 -10.681 10.887 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 14 +ATOM 21573 H HH22 . ARG A 1 48 ? 4.293 -11.076 10.770 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 14 +ATOM 21574 N N . GLY A 1 49 ? 7.939 -6.056 10.556 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 14 +ATOM 21575 C CA . GLY A 1 49 ? 9.168 -6.565 10.046 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 14 +ATOM 21576 C C . GLY A 1 49 ? 8.999 -7.022 8.640 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 14 +ATOM 21577 O O . GLY A 1 49 ? 8.680 -8.183 8.396 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 14 +ATOM 21578 H H . GLY A 1 49 ? 7.114 -6.190 10.044 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 14 +ATOM 21579 H HA2 . GLY A 1 49 ? 9.911 -5.783 10.087 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 14 +ATOM 21580 H HA3 . GLY A 1 49 ? 9.490 -7.399 10.652 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 14 +ATOM 21581 N N . MET A 1 50 ? 9.157 -6.102 7.725 1.00 0.00 ? ? ? ? ? ? 47 MET A N 14 +ATOM 21582 C CA . MET A 1 50 ? 9.012 -6.340 6.301 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 14 +ATOM 21583 C C . MET A 1 50 ? 9.952 -5.397 5.581 1.00 0.00 ? ? ? ? ? ? 47 MET A C 14 +ATOM 21584 O O . MET A 1 50 ? 10.157 -4.284 6.074 1.00 0.00 ? ? ? ? ? ? 47 MET A O 14 +ATOM 21585 C CB . MET A 1 50 ? 7.573 -6.060 5.846 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 14 +ATOM 21586 C CG . MET A 1 50 ? 6.528 -7.064 6.312 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 14 +ATOM 21587 S SD . MET A 1 50 ? 6.783 -8.716 5.636 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 14 +ATOM 21588 C CE . MET A 1 50 ? 6.656 -8.377 3.883 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 14 +ATOM 21589 H H . MET A 1 50 ? 9.430 -5.195 7.989 1.00 0.00 ? ? ? ? ? ? 47 MET A H 14 +ATOM 21590 H HA . MET A 1 50 ? 9.270 -7.368 6.099 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 14 +ATOM 21591 H HB2 . MET A 1 50 ? 7.293 -5.092 6.235 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 14 +ATOM 21592 H HB3 . MET A 1 50 ? 7.555 -6.014 4.767 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 14 +ATOM 21593 H HG2 . MET A 1 50 ? 6.568 -7.123 7.390 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 14 +ATOM 21594 H HG3 . MET A 1 50 ? 5.553 -6.714 6.012 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 14 +ATOM 21595 H HE1 . MET A 1 50 ? 7.447 -7.707 3.582 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 14 +ATOM 21596 H HE2 . MET A 1 50 ? 5.704 -7.906 3.683 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 14 +ATOM 21597 H HE3 . MET A 1 50 ? 6.728 -9.297 3.326 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 14 +ATOM 21598 N N . PRO A 1 51 ? 10.544 -5.809 4.426 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 14 +ATOM 21599 C CA . PRO A 1 51 ? 11.510 -4.981 3.662 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 14 +ATOM 21600 C C . PRO A 1 51 ? 10.952 -3.619 3.218 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 14 +ATOM 21601 O O . PRO A 1 51 ? 10.331 -3.502 2.139 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 14 +ATOM 21602 C CB . PRO A 1 51 ? 11.855 -5.846 2.442 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 14 +ATOM 21603 C CG . PRO A 1 51 ? 11.544 -7.235 2.873 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 14 +ATOM 21604 C CD . PRO A 1 51 ? 10.348 -7.122 3.773 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 14 +ATOM 21605 H HA . PRO A 1 51 ? 12.401 -4.807 4.241 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 14 +ATOM 21606 H HB2 . PRO A 1 51 ? 11.249 -5.541 1.602 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 14 +ATOM 21607 H HB3 . PRO A 1 51 ? 12.901 -5.736 2.195 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 14 +ATOM 21608 H HG2 . PRO A 1 51 ? 11.317 -7.846 2.011 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 14 +ATOM 21609 H HG3 . PRO A 1 51 ? 12.382 -7.647 3.416 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 14 +ATOM 21610 H HD2 . PRO A 1 51 ? 9.441 -7.133 3.186 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 14 +ATOM 21611 H HD3 . PRO A 1 51 ? 10.348 -7.924 4.497 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 14 +ATOM 21612 N N . ASP A 1 52 ? 11.126 -2.619 4.093 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 14 +ATOM 21613 C CA . ASP A 1 52 ? 10.666 -1.230 3.892 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 14 +ATOM 21614 C C . ASP A 1 52 ? 9.225 -1.168 3.440 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 14 +ATOM 21615 O O . ASP A 1 52 ? 8.864 -0.432 2.515 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 14 +ATOM 21616 C CB . ASP A 1 52 ? 11.592 -0.407 2.974 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 14 +ATOM 21617 C CG . ASP A 1 52 ? 12.935 -0.090 3.612 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 14 +ATOM 21618 O OD1 . ASP A 1 52 ? 13.007 0.049 4.873 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 14 +ATOM 21619 O OD2 . ASP A 1 52 ? 13.938 0.068 2.874 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 14 +ATOM 21620 H H . ASP A 1 52 ? 11.578 -2.844 4.938 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 14 +ATOM 21621 H HA . ASP A 1 52 ? 10.678 -0.781 4.875 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 14 +ATOM 21622 H HB2 . ASP A 1 52 ? 11.772 -0.967 2.068 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 14 +ATOM 21623 H HB3 . ASP A 1 52 ? 11.099 0.520 2.721 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 14 +ATOM 21624 N N . CYS A 1 53 ? 8.401 -1.949 4.091 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 14 +ATOM 21625 C CA . CYS A 1 53 ? 7.000 -1.981 3.786 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 14 +ATOM 21626 C C . CYS A 1 53 ? 6.240 -1.175 4.824 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 14 +ATOM 21627 O O . CYS A 1 53 ? 6.591 -1.188 6.021 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 14 +ATOM 21628 C CB . CYS A 1 53 ? 6.502 -3.418 3.744 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 14 +ATOM 21629 S SG . CYS A 1 53 ? 7.418 -4.494 2.610 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 14 +ATOM 21630 H H . CYS A 1 53 ? 8.752 -2.514 4.810 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 14 +ATOM 21631 H HA . CYS A 1 53 ? 6.852 -1.523 2.823 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 14 +ATOM 21632 H HB2 . CYS A 1 53 ? 6.593 -3.836 4.734 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 14 +ATOM 21633 H HB3 . CYS A 1 53 ? 5.464 -3.425 3.448 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 14 +ATOM 21634 H HG . CYS A 1 53 ? 8.565 -3.885 2.325 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 14 +ATOM 21635 N N . TYR A 1 54 ? 5.230 -0.478 4.383 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 14 +ATOM 21636 C CA . TYR A 1 54 ? 4.462 0.391 5.238 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 14 +ATOM 21637 C C . TYR A 1 54 ? 2.979 0.096 5.044 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 14 +ATOM 21638 O O . TYR A 1 54 ? 2.581 -0.507 4.031 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 14 +ATOM 21639 C CB . TYR A 1 54 ? 4.756 1.883 4.933 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 14 +ATOM 21640 C CG . TYR A 1 54 ? 6.223 2.314 5.050 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 14 +ATOM 21641 C CD1 . TYR A 1 54 ? 7.150 1.959 4.084 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 14 +ATOM 21642 C CD2 . TYR A 1 54 ? 6.666 3.084 6.111 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 14 +ATOM 21643 C CE1 . TYR A 1 54 ? 8.471 2.346 4.170 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 14 +ATOM 21644 C CE2 . TYR A 1 54 ? 7.995 3.479 6.204 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 14 +ATOM 21645 C CZ . TYR A 1 54 ? 8.889 3.102 5.226 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 14 +ATOM 21646 O OH . TYR A 1 54 ? 10.213 3.492 5.306 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 14 +ATOM 21647 H H . TYR A 1 54 ? 4.958 -0.569 3.441 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 14 +ATOM 21648 H HA . TYR A 1 54 ? 4.730 0.177 6.262 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 14 +ATOM 21649 H HB2 . TYR A 1 54 ? 4.436 2.098 3.925 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 14 +ATOM 21650 H HB3 . TYR A 1 54 ? 4.177 2.490 5.614 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 14 +ATOM 21651 H HD1 . TYR A 1 54 ? 6.824 1.356 3.249 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 14 +ATOM 21652 H HD2 . TYR A 1 54 ? 5.964 3.378 6.878 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 14 +ATOM 21653 H HE1 . TYR A 1 54 ? 9.170 2.052 3.401 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 14 +ATOM 21654 H HE2 . TYR A 1 54 ? 8.323 4.077 7.041 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 14 +ATOM 21655 H HH . TYR A 1 54 ? 10.513 3.752 4.423 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 14 +ATOM 21656 N N . LYS A 1 55 ? 2.193 0.517 5.992 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 14 +ATOM 21657 C CA . LYS A 1 55 ? 0.778 0.277 6.027 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 14 +ATOM 21658 C C . LYS A 1 55 ? 0.042 1.609 5.935 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 14 +ATOM 21659 O O . LYS A 1 55 ? 0.616 2.669 6.192 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 14 +ATOM 21660 C CB . LYS A 1 55 ? 0.400 -0.379 7.389 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 14 +ATOM 21661 C CG . LYS A 1 55 ? 0.395 0.621 8.571 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 14 +ATOM 21662 C CD . LYS A 1 55 ? 0.224 -0.021 9.943 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 14 +ATOM 21663 C CE . LYS A 1 55 ? 1.479 -0.752 10.388 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 14 +ATOM 21664 N NZ . LYS A 1 55 ? 1.379 -1.206 11.785 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 14 +ATOM 21665 H H . LYS A 1 55 ? 2.581 1.033 6.731 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 14 +ATOM 21666 H HA . LYS A 1 55 ? 0.487 -0.390 5.230 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 14 +ATOM 21667 H HB2 . LYS A 1 55 ? -0.584 -0.815 7.303 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 14 +ATOM 21668 H HB3 . LYS A 1 55 ? 1.114 -1.157 7.610 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 14 +ATOM 21669 H HG2 . LYS A 1 55 ? 1.333 1.156 8.568 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 14 +ATOM 21670 H HG3 . LYS A 1 55 ? -0.405 1.330 8.410 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 14 +ATOM 21671 H HD2 . LYS A 1 55 ? -0.006 0.745 10.666 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 14 +ATOM 21672 H HD3 . LYS A 1 55 ? -0.596 -0.725 9.898 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 14 +ATOM 21673 H HE2 . LYS A 1 55 ? 1.603 -1.623 9.764 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 14 +ATOM 21674 H HE3 . LYS A 1 55 ? 2.332 -0.097 10.283 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 14 +ATOM 21675 H HZ1 . LYS A 1 55 ? 0.570 -1.848 11.908 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 14 +ATOM 21676 H HZ2 . LYS A 1 55 ? 1.263 -0.396 12.427 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 14 +ATOM 21677 H HZ3 . LYS A 1 55 ? 2.241 -1.711 12.065 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 14 +ATOM 21678 N N . ILE A 1 56 ? -1.182 1.546 5.536 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 14 +ATOM 21679 C CA . ILE A 1 56 ? -2.084 2.658 5.628 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 14 +ATOM 21680 C C . ILE A 1 56 ? -3.326 2.137 6.292 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 14 +ATOM 21681 O O . ILE A 1 56 ? -3.801 1.048 5.949 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 14 +ATOM 21682 C CB . ILE A 1 56 ? -2.475 3.272 4.250 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 14 +ATOM 21683 C CG1 . ILE A 1 56 ? -1.239 3.757 3.504 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 14 +ATOM 21684 C CG2 . ILE A 1 56 ? -3.468 4.436 4.440 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 14 +ATOM 21685 C CD1 . ILE A 1 56 ? -1.534 4.306 2.129 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 14 +ATOM 21686 H H . ILE A 1 56 ? -1.494 0.704 5.137 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 14 +ATOM 21687 H HA . ILE A 1 56 ? -1.631 3.411 6.257 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 14 +ATOM 21688 H HB . ILE A 1 56 ? -2.969 2.509 3.670 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 14 +ATOM 21689 H HG12 . ILE A 1 56 ? -0.755 4.531 4.082 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 14 +ATOM 21690 H HG13 . ILE A 1 56 ? -0.567 2.918 3.398 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 14 +ATOM 21691 H HG21 . ILE A 1 56 ? -3.735 4.843 3.475 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 14 +ATOM 21692 H HG22 . ILE A 1 56 ? -3.017 5.216 5.036 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 14 +ATOM 21693 H HG23 . ILE A 1 56 ? -4.357 4.075 4.935 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 14 +ATOM 21694 H HD11 . ILE A 1 56 ? -1.933 3.521 1.506 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 14 +ATOM 21695 H HD12 . ILE A 1 56 ? -0.633 4.706 1.687 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 14 +ATOM 21696 H HD13 . ILE A 1 56 ? -2.267 5.093 2.215 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 14 +ATOM 21697 N N . LYS A 1 57 ? -3.817 2.858 7.244 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 14 +ATOM 21698 C CA . LYS A 1 57 ? -5.022 2.496 7.910 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 14 +ATOM 21699 C C . LYS A 1 57 ? -6.029 3.576 7.637 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 14 +ATOM 21700 O O . LYS A 1 57 ? -5.755 4.759 7.862 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 14 +ATOM 21701 C CB . LYS A 1 57 ? -4.843 2.208 9.433 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 14 +ATOM 21702 C CG . LYS A 1 57 ? -4.337 3.355 10.301 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 14 +ATOM 21703 C CD . LYS A 1 57 ? -2.857 3.659 10.107 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 14 +ATOM 21704 C CE . LYS A 1 57 ? -2.495 4.876 10.896 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 14 +ATOM 21705 N NZ . LYS A 1 57 ? -1.077 5.275 10.739 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 14 +ATOM 21706 H H . LYS A 1 57 ? -3.390 3.708 7.467 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 14 +ATOM 21707 H HA . LYS A 1 57 ? -5.362 1.604 7.415 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 14 +ATOM 21708 H HB2 . LYS A 1 57 ? -5.803 1.911 9.830 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 14 +ATOM 21709 H HB3 . LYS A 1 57 ? -4.162 1.377 9.539 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 14 +ATOM 21710 H HG2 . LYS A 1 57 ? -4.902 4.243 10.060 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 14 +ATOM 21711 H HG3 . LYS A 1 57 ? -4.512 3.099 11.336 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 14 +ATOM 21712 H HD2 . LYS A 1 57 ? -2.275 2.823 10.465 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 14 +ATOM 21713 H HD3 . LYS A 1 57 ? -2.630 3.836 9.069 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 14 +ATOM 21714 H HE2 . LYS A 1 57 ? -3.145 5.652 10.522 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 14 +ATOM 21715 H HE3 . LYS A 1 57 ? -2.723 4.671 11.932 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 14 +ATOM 21716 H HZ1 . LYS A 1 57 ? -0.450 4.491 11.006 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 14 +ATOM 21717 H HZ2 . LYS A 1 57 ? -0.843 6.059 11.382 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 14 +ATOM 21718 H HZ3 . LYS A 1 57 ? -0.848 5.562 9.765 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 14 +ATOM 21719 N N . LEU A 1 58 ? -7.144 3.197 7.085 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 14 +ATOM 21720 C CA . LEU A 1 58 ? -8.135 4.151 6.679 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 14 +ATOM 21721 C C . LEU A 1 58 ? -8.858 4.724 7.885 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 14 +ATOM 21722 O O . LEU A 1 58 ? -9.211 4.001 8.817 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 14 +ATOM 21723 C CB . LEU A 1 58 ? -9.118 3.523 5.696 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 14 +ATOM 21724 C CG . LEU A 1 58 ? -9.961 4.492 4.875 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 14 +ATOM 21725 C CD1 . LEU A 1 58 ? -9.067 5.332 4.016 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 14 +ATOM 21726 C CD2 . LEU A 1 58 ? -10.944 3.732 4.022 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 14 +ATOM 21727 H H . LEU A 1 58 ? -7.314 2.241 6.932 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 14 +ATOM 21728 H HA . LEU A 1 58 ? -7.612 4.953 6.180 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 14 +ATOM 21729 H HB2 . LEU A 1 58 ? -8.557 2.903 5.012 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 14 +ATOM 21730 H HB3 . LEU A 1 58 ? -9.787 2.888 6.258 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 14 +ATOM 21731 H HG . LEU A 1 58 ? -10.509 5.195 5.482 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 14 +ATOM 21732 H HD11 . LEU A 1 58 ? -8.493 4.701 3.356 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 14 +ATOM 21733 H HD12 . LEU A 1 58 ? -8.411 5.928 4.630 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 14 +ATOM 21734 H HD13 . LEU A 1 58 ? -9.691 5.985 3.430 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 14 +ATOM 21735 H HD21 . LEU A 1 58 ? -11.550 4.427 3.458 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 14 +ATOM 21736 H HD22 . LEU A 1 58 ? -11.571 3.119 4.650 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 14 +ATOM 21737 H HD23 . LEU A 1 58 ? -10.391 3.107 3.338 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 14 +ATOM 21738 N N . ARG A 1 59 ? -9.044 6.021 7.862 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 14 +ATOM 21739 C CA . ARG A 1 59 ? -9.679 6.750 8.943 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 14 +ATOM 21740 C C . ARG A 1 59 ? -11.168 6.400 9.091 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 14 +ATOM 21741 O O . ARG A 1 59 ? -11.670 6.268 10.203 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 14 +ATOM 21742 C CB . ARG A 1 59 ? -9.509 8.261 8.711 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 14 +ATOM 21743 C CG . ARG A 1 59 ? -10.166 9.151 9.761 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 14 +ATOM 21744 C CD . ARG A 1 59 ? -9.572 8.936 11.137 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 14 +ATOM 21745 N NE . ARG A 1 59 ? -10.201 9.798 12.142 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 14 +ATOM 21746 C CZ . ARG A 1 59 ? -9.765 9.954 13.393 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 14 +ATOM 21747 N NH1 . ARG A 1 59 ? -8.713 9.281 13.816 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 14 +ATOM 21748 N NH2 . ARG A 1 59 ? -10.401 10.767 14.225 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 14 +ATOM 21749 H H . ARG A 1 59 ? -8.707 6.526 7.091 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 14 +ATOM 21750 H HA . ARG A 1 59 ? -9.165 6.493 9.857 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 14 +ATOM 21751 H HB2 . ARG A 1 59 ? -8.454 8.489 8.695 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 14 +ATOM 21752 H HB3 . ARG A 1 59 ? -9.928 8.506 7.746 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 14 +ATOM 21753 H HG2 . ARG A 1 59 ? -10.026 10.184 9.485 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 14 +ATOM 21754 H HG3 . ARG A 1 59 ? -11.223 8.929 9.795 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 14 +ATOM 21755 H HD2 . ARG A 1 59 ? -9.719 7.905 11.424 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 14 +ATOM 21756 H HD3 . ARG A 1 59 ? -8.515 9.154 11.101 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 14 +ATOM 21757 H HE . ARG A 1 59 ? -11.001 10.284 11.835 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 14 +ATOM 21758 H HH11 . ARG A 1 59 ? -8.220 8.637 13.224 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 14 +ATOM 21759 H HH12 . ARG A 1 59 ? -8.352 9.401 14.743 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 14 +ATOM 21760 H HH21 . ARG A 1 59 ? -11.218 11.280 13.947 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 14 +ATOM 21761 H HH22 . ARG A 1 59 ? -10.108 10.899 15.177 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 14 +ATOM 21762 N N . SER A 1 60 ? -11.849 6.253 7.989 1.00 0.00 ? ? ? ? ? ? 57 SER A N 14 +ATOM 21763 C CA . SER A 1 60 ? -13.268 6.020 8.005 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 14 +ATOM 21764 C C . SER A 1 60 ? -13.626 4.538 8.200 1.00 0.00 ? ? ? ? ? ? 57 SER A C 14 +ATOM 21765 O O . SER A 1 60 ? -14.255 4.159 9.196 1.00 0.00 ? ? ? ? ? ? 57 SER A O 14 +ATOM 21766 C CB . SER A 1 60 ? -13.841 6.566 6.713 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 14 +ATOM 21767 O OG . SER A 1 60 ? -13.029 6.148 5.619 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 14 +ATOM 21768 H H . SER A 1 60 ? -11.410 6.297 7.115 1.00 0.00 ? ? ? ? ? ? 57 SER A H 14 +ATOM 21769 H HA . SER A 1 60 ? -13.685 6.594 8.819 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 14 +ATOM 21770 H HB2 . SER A 1 60 ? -14.846 6.193 6.573 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 14 +ATOM 21771 H HB3 . SER A 1 60 ? -13.851 7.645 6.745 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 14 +ATOM 21772 H HG . SER A 1 60 ? -12.828 6.941 5.095 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 14 +ATOM 21773 N N . SER A 1 61 ? -13.241 3.717 7.255 1.00 0.00 ? ? ? ? ? ? 58 SER A N 14 +ATOM 21774 C CA . SER A 1 61 ? -13.543 2.309 7.305 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 14 +ATOM 21775 C C . SER A 1 61 ? -12.296 1.522 7.682 1.00 0.00 ? ? ? ? ? ? 58 SER A C 14 +ATOM 21776 O O . SER A 1 61 ? -11.181 2.024 7.531 1.00 0.00 ? ? ? ? ? ? 58 SER A O 14 +ATOM 21777 C CB . SER A 1 61 ? -14.071 1.871 5.948 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 14 +ATOM 21778 O OG . SER A 1 61 ? -15.154 2.703 5.554 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 14 +ATOM 21779 H H . SER A 1 61 ? -12.722 4.075 6.503 1.00 0.00 ? ? ? ? ? ? 58 SER A H 14 +ATOM 21780 H HA . SER A 1 61 ? -14.307 2.148 8.049 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 14 +ATOM 21781 H HB2 . SER A 1 61 ? -13.287 1.944 5.210 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 14 +ATOM 21782 H HB3 . SER A 1 61 ? -14.422 0.851 6.007 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 14 +ATOM 21783 H HG . SER A 1 61 ? -14.974 3.594 5.875 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 14 +ATOM 21784 N N . GLY A 1 62 ? -12.480 0.299 8.146 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 14 +ATOM 21785 C CA . GLY A 1 62 ? -11.371 -0.528 8.561 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 14 +ATOM 21786 C C . GLY A 1 62 ? -10.659 -1.172 7.391 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 14 +ATOM 21787 O O . GLY A 1 62 ? -10.676 -2.387 7.229 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 14 +ATOM 21788 H H . GLY A 1 62 ? -13.384 -0.075 8.209 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 14 +ATOM 21789 H HA2 . GLY A 1 62 ? -10.665 0.080 9.109 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 14 +ATOM 21790 H HA3 . GLY A 1 62 ? -11.742 -1.305 9.214 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 14 +ATOM 21791 N N . TYR A 1 63 ? -10.061 -0.362 6.576 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 14 +ATOM 21792 C CA . TYR A 1 63 ? -9.310 -0.828 5.447 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 14 +ATOM 21793 C C . TYR A 1 63 ? -7.856 -0.509 5.618 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 14 +ATOM 21794 O O . TYR A 1 63 ? -7.494 0.562 6.125 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 14 +ATOM 21795 C CB . TYR A 1 63 ? -9.853 -0.280 4.131 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 14 +ATOM 21796 C CG . TYR A 1 63 ? -11.017 -1.077 3.596 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 14 +ATOM 21797 C CD1 . TYR A 1 63 ? -12.311 -0.899 4.073 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 14 +ATOM 21798 C CD2 . TYR A 1 63 ? -10.810 -2.025 2.612 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 14 +ATOM 21799 C CE1 . TYR A 1 63 ? -13.358 -1.653 3.576 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 14 +ATOM 21800 C CE2 . TYR A 1 63 ? -11.843 -2.773 2.110 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 14 +ATOM 21801 C CZ . TYR A 1 63 ? -13.111 -2.590 2.591 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 14 +ATOM 21802 O OH . TYR A 1 63 ? -14.133 -3.359 2.097 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 14 +ATOM 21803 H H . TYR A 1 63 ? -10.114 0.601 6.766 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 14 +ATOM 21804 H HA . TYR A 1 63 ? -9.421 -1.905 5.441 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 14 +ATOM 21805 H HB2 . TYR A 1 63 ? -10.186 0.737 4.282 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 14 +ATOM 21806 H HB3 . TYR A 1 63 ? -9.068 -0.292 3.390 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 14 +ATOM 21807 H HD1 . TYR A 1 63 ? -12.492 -0.164 4.843 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 14 +ATOM 21808 H HD2 . TYR A 1 63 ? -9.809 -2.173 2.232 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 14 +ATOM 21809 H HE1 . TYR A 1 63 ? -14.359 -1.504 3.954 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 14 +ATOM 21810 H HE2 . TYR A 1 63 ? -11.654 -3.507 1.341 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 14 +ATOM 21811 H HH . TYR A 1 63 ? -14.865 -2.761 1.901 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 14 +ATOM 21812 N N . ARG A 1 64 ? -7.035 -1.443 5.238 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 14 +ATOM 21813 C CA . ARG A 1 64 ? -5.623 -1.349 5.386 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 14 +ATOM 21814 C C . ARG A 1 64 ? -4.948 -1.632 4.061 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 14 +ATOM 21815 O O . ARG A 1 64 ? -5.352 -2.531 3.319 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 14 +ATOM 21816 C CB . ARG A 1 64 ? -5.179 -2.334 6.460 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 14 +ATOM 21817 C CG . ARG A 1 64 ? -5.756 -2.000 7.824 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 14 +ATOM 21818 C CD . ARG A 1 64 ? -5.569 -3.118 8.810 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 14 +ATOM 21819 N NE . ARG A 1 64 ? -6.029 -2.722 10.150 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 14 +ATOM 21820 C CZ . ARG A 1 64 ? -6.269 -3.541 11.184 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 14 +ATOM 21821 N NH1 . ARG A 1 64 ? -6.212 -4.866 11.044 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 14 +ATOM 21822 N NH2 . ARG A 1 64 ? -6.616 -3.023 12.349 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 14 +ATOM 21823 H H . ARG A 1 64 ? -7.377 -2.263 4.817 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 14 +ATOM 21824 H HA . ARG A 1 64 ? -5.376 -0.350 5.710 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 14 +ATOM 21825 H HB2 . ARG A 1 64 ? -5.501 -3.326 6.179 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 14 +ATOM 21826 H HB3 . ARG A 1 64 ? -4.102 -2.318 6.532 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 14 +ATOM 21827 H HG2 . ARG A 1 64 ? -5.267 -1.117 8.206 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 14 +ATOM 21828 H HG3 . ARG A 1 64 ? -6.812 -1.799 7.710 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 14 +ATOM 21829 H HD2 . ARG A 1 64 ? -6.140 -3.967 8.460 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 14 +ATOM 21830 H HD3 . ARG A 1 64 ? -4.522 -3.371 8.834 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 14 +ATOM 21831 H HE . ARG A 1 64 ? -6.151 -1.751 10.280 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 14 +ATOM 21832 H HH11 . ARG A 1 64 ? -6.004 -5.317 10.166 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 14 +ATOM 21833 H HH12 . ARG A 1 64 ? -6.373 -5.486 11.816 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 14 +ATOM 21834 H HH21 . ARG A 1 64 ? -6.702 -2.031 12.469 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 14 +ATOM 21835 H HH22 . ARG A 1 64 ? -6.823 -3.598 13.145 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 14 +ATOM 21836 N N . LEU A 1 65 ? -3.959 -0.862 3.758 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 14 +ATOM 21837 C CA . LEU A 1 65 ? -3.230 -0.991 2.521 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 14 +ATOM 21838 C C . LEU A 1 65 ? -1.767 -1.225 2.866 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 14 +ATOM 21839 O O . LEU A 1 65 ? -1.252 -0.598 3.787 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 14 +ATOM 21840 C CB . LEU A 1 65 ? -3.453 0.301 1.678 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 14 +ATOM 21841 C CG . LEU A 1 65 ? -2.913 0.352 0.227 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 14 +ATOM 21842 C CD1 . LEU A 1 65 ? -3.566 1.492 -0.525 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 14 +ATOM 21843 C CD2 . LEU A 1 65 ? -1.423 0.566 0.207 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 14 +ATOM 21844 H H . LEU A 1 65 ? -3.686 -0.172 4.401 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 14 +ATOM 21845 H HA . LEU A 1 65 ? -3.612 -1.844 1.986 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 14 +ATOM 21846 H HB2 . LEU A 1 65 ? -4.514 0.495 1.638 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 14 +ATOM 21847 H HB3 . LEU A 1 65 ? -2.998 1.115 2.224 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 14 +ATOM 21848 H HG . LEU A 1 65 ? -3.140 -0.574 -0.280 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 14 +ATOM 21849 H HD11 . LEU A 1 65 ? -3.364 2.421 -0.014 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 14 +ATOM 21850 H HD12 . LEU A 1 65 ? -4.632 1.329 -0.583 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 14 +ATOM 21851 H HD13 . LEU A 1 65 ? -3.152 1.534 -1.522 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 14 +ATOM 21852 H HD21 . LEU A 1 65 ? -0.931 -0.259 0.702 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 14 +ATOM 21853 H HD22 . LEU A 1 65 ? -1.212 1.483 0.737 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 14 +ATOM 21854 H HD23 . LEU A 1 65 ? -1.080 0.646 -0.813 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 14 +ATOM 21855 N N . VAL A 1 66 ? -1.125 -2.153 2.177 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 14 +ATOM 21856 C CA . VAL A 1 66 ? 0.272 -2.474 2.422 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 14 +ATOM 21857 C C . VAL A 1 66 ? 1.091 -2.346 1.141 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 14 +ATOM 21858 O O . VAL A 1 66 ? 0.745 -2.923 0.092 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 14 +ATOM 21859 C CB . VAL A 1 66 ? 0.443 -3.896 3.036 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 14 +ATOM 21860 C CG1 . VAL A 1 66 ? 1.913 -4.287 3.128 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 14 +ATOM 21861 C CG2 . VAL A 1 66 ? -0.187 -3.946 4.415 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 14 +ATOM 21862 H H . VAL A 1 66 ? -1.580 -2.645 1.455 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 14 +ATOM 21863 H HA . VAL A 1 66 ? 0.645 -1.747 3.128 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 14 +ATOM 21864 H HB . VAL A 1 66 ? -0.067 -4.609 2.405 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 14 +ATOM 21865 H HG11 . VAL A 1 66 ? 2.443 -3.546 3.707 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 14 +ATOM 21866 H HG12 . VAL A 1 66 ? 2.337 -4.333 2.136 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 14 +ATOM 21867 H HG13 . VAL A 1 66 ? 2.002 -5.251 3.607 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 14 +ATOM 21868 H HG21 . VAL A 1 66 ? 0.276 -3.204 5.049 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 14 +ATOM 21869 H HG22 . VAL A 1 66 ? -0.031 -4.926 4.842 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 14 +ATOM 21870 H HG23 . VAL A 1 66 ? -1.245 -3.746 4.337 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 14 +ATOM 21871 N N . TYR A 1 67 ? 2.160 -1.605 1.226 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 14 +ATOM 21872 C CA . TYR A 1 67 ? 3.024 -1.375 0.101 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 14 +ATOM 21873 C C . TYR A 1 67 ? 4.464 -1.461 0.527 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 14 +ATOM 21874 O O . TYR A 1 67 ? 4.773 -1.305 1.712 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 14 +ATOM 21875 C CB . TYR A 1 67 ? 2.743 0.008 -0.531 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 14 +ATOM 21876 C CG . TYR A 1 67 ? 2.825 1.177 0.429 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 14 +ATOM 21877 C CD1 . TYR A 1 67 ? 4.039 1.667 0.895 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 14 +ATOM 21878 C CD2 . TYR A 1 67 ? 1.681 1.783 0.862 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 14 +ATOM 21879 C CE1 . TYR A 1 67 ? 4.083 2.721 1.768 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 14 +ATOM 21880 C CE2 . TYR A 1 67 ? 1.717 2.834 1.723 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 14 +ATOM 21881 C CZ . TYR A 1 67 ? 2.913 3.301 2.181 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 14 +ATOM 21882 O OH . TYR A 1 67 ? 2.937 4.332 3.073 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 14 +ATOM 21883 H H . TYR A 1 67 ? 2.401 -1.204 2.092 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 14 +ATOM 21884 H HA . TYR A 1 67 ? 2.825 -2.136 -0.640 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 14 +ATOM 21885 H HB2 . TYR A 1 67 ? 3.437 0.196 -1.336 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 14 +ATOM 21886 H HB3 . TYR A 1 67 ? 1.743 -0.001 -0.938 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 14 +ATOM 21887 H HD1 . TYR A 1 67 ? 4.954 1.200 0.564 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 14 +ATOM 21888 H HD2 . TYR A 1 67 ? 0.736 1.414 0.499 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 14 +ATOM 21889 H HE1 . TYR A 1 67 ? 5.035 3.093 2.118 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 14 +ATOM 21890 H HE2 . TYR A 1 67 ? 0.790 3.288 2.032 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 14 +ATOM 21891 H HH . TYR A 1 67 ? 2.269 4.159 3.742 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 14 +ATOM 21892 N N . GLN A 1 68 ? 5.325 -1.708 -0.409 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 14 +ATOM 21893 C CA . GLN A 1 68 ? 6.728 -1.674 -0.154 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 14 +ATOM 21894 C C . GLN A 1 68 ? 7.291 -0.459 -0.825 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 14 +ATOM 21895 O O . GLN A 1 68 ? 6.935 -0.143 -1.969 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 14 +ATOM 21896 C CB . GLN A 1 68 ? 7.464 -2.939 -0.630 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 14 +ATOM 21897 C CG . GLN A 1 68 ? 7.325 -3.254 -2.118 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 14 +ATOM 21898 C CD . GLN A 1 68 ? 8.185 -4.427 -2.568 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 14 +ATOM 21899 O OE1 . GLN A 1 68 ? 7.816 -5.163 -3.478 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 14 +ATOM 21900 N NE2 . GLN A 1 68 ? 9.355 -4.582 -1.982 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 14 +ATOM 21901 H H . GLN A 1 68 ? 5.009 -1.891 -1.323 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 14 +ATOM 21902 H HA . GLN A 1 68 ? 6.862 -1.559 0.910 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 14 +ATOM 21903 H HB2 . GLN A 1 68 ? 8.513 -2.812 -0.413 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 14 +ATOM 21904 H HB3 . GLN A 1 68 ? 7.098 -3.783 -0.064 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 14 +ATOM 21905 H HG2 . GLN A 1 68 ? 6.292 -3.485 -2.330 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 14 +ATOM 21906 H HG3 . GLN A 1 68 ? 7.616 -2.376 -2.677 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 14 +ATOM 21907 H HE21 . GLN A 1 68 ? 9.638 -3.945 -1.291 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 14 +ATOM 21908 H HE22 . GLN A 1 68 ? 9.909 -5.333 -2.270 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 14 +ATOM 21909 N N . VAL A 1 69 ? 8.096 0.259 -0.134 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 14 +ATOM 21910 C CA . VAL A 1 69 ? 8.731 1.372 -0.732 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 14 +ATOM 21911 C C . VAL A 1 69 ? 10.023 0.891 -1.298 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 14 +ATOM 21912 O O . VAL A 1 69 ? 10.919 0.469 -0.566 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 14 +ATOM 21913 C CB . VAL A 1 69 ? 8.966 2.535 0.261 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 14 +ATOM 21914 C CG1 . VAL A 1 69 ? 9.696 3.686 -0.416 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 14 +ATOM 21915 C CG2 . VAL A 1 69 ? 7.644 3.019 0.817 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 14 +ATOM 21916 H H . VAL A 1 69 ? 8.300 0.031 0.803 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 14 +ATOM 21917 H HA . VAL A 1 69 ? 8.108 1.712 -1.545 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 14 +ATOM 21918 H HB . VAL A 1 69 ? 9.569 2.172 1.080 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 14 +ATOM 21919 H HG11 . VAL A 1 69 ? 10.661 3.339 -0.756 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 14 +ATOM 21920 H HG12 . VAL A 1 69 ? 9.827 4.494 0.288 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 14 +ATOM 21921 H HG13 . VAL A 1 69 ? 9.118 4.032 -1.259 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 14 +ATOM 21922 H HG21 . VAL A 1 69 ? 7.821 3.798 1.543 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 14 +ATOM 21923 H HG22 . VAL A 1 69 ? 7.136 2.193 1.294 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 14 +ATOM 21924 H HG23 . VAL A 1 69 ? 7.027 3.401 0.019 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 14 +ATOM 21925 N N . ILE A 1 70 ? 10.102 0.882 -2.583 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 14 +ATOM 21926 C CA . ILE A 1 70 ? 11.281 0.464 -3.233 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 14 +ATOM 21927 C C . ILE A 1 70 ? 12.110 1.694 -3.445 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 14 +ATOM 21928 O O . ILE A 1 70 ? 11.909 2.445 -4.415 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 14 +ATOM 21929 C CB . ILE A 1 70 ? 10.985 -0.213 -4.599 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 14 +ATOM 21930 C CG1 . ILE A 1 70 ? 9.969 -1.353 -4.425 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 14 +ATOM 21931 C CG2 . ILE A 1 70 ? 12.277 -0.750 -5.215 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 14 +ATOM 21932 C CD1 . ILE A 1 70 ? 9.549 -2.005 -5.729 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 14 +ATOM 21933 H H . ILE A 1 70 ? 9.349 1.199 -3.134 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 14 +ATOM 21934 H HA . ILE A 1 70 ? 11.805 -0.228 -2.591 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 14 +ATOM 21935 H HB . ILE A 1 70 ? 10.570 0.530 -5.265 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 14 +ATOM 21936 H HG12 . ILE A 1 70 ? 10.404 -2.118 -3.799 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 14 +ATOM 21937 H HG13 . ILE A 1 70 ? 9.083 -0.965 -3.944 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 14 +ATOM 21938 H HG21 . ILE A 1 70 ? 12.717 -1.479 -4.552 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 14 +ATOM 21939 H HG22 . ILE A 1 70 ? 12.973 0.063 -5.358 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 14 +ATOM 21940 H HG23 . ILE A 1 70 ? 12.061 -1.213 -6.167 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 14 +ATOM 21941 H HD11 . ILE A 1 70 ? 8.857 -2.809 -5.527 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 14 +ATOM 21942 H HD12 . ILE A 1 70 ? 10.423 -2.386 -6.236 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 14 +ATOM 21943 H HD13 . ILE A 1 70 ? 9.072 -1.267 -6.357 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 14 +ATOM 21944 N N . ASP A 1 71 ? 13.013 1.926 -2.532 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 14 +ATOM 21945 C CA . ASP A 1 71 ? 13.886 3.085 -2.589 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 14 +ATOM 21946 C C . ASP A 1 71 ? 14.860 2.961 -3.720 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 14 +ATOM 21947 O O . ASP A 1 71 ? 15.349 3.959 -4.236 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 14 +ATOM 21948 C CB . ASP A 1 71 ? 14.627 3.321 -1.269 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 14 +ATOM 21949 C CG . ASP A 1 71 ? 13.974 4.363 -0.396 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 14 +ATOM 21950 O OD1 . ASP A 1 71 ? 14.212 5.575 -0.642 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 14 +ATOM 21951 O OD2 . ASP A 1 71 ? 13.263 4.014 0.571 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 14 +ATOM 21952 H H . ASP A 1 71 ? 13.096 1.291 -1.784 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 14 +ATOM 21953 H HA . ASP A 1 71 ? 13.257 3.941 -2.789 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 14 +ATOM 21954 H HB2 . ASP A 1 71 ? 14.671 2.396 -0.713 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 14 +ATOM 21955 H HB3 . ASP A 1 71 ? 15.631 3.649 -1.491 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 14 +ATOM 21956 N N . GLU A 1 72 ? 15.096 1.725 -4.135 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 14 +ATOM 21957 C CA . GLU A 1 72 ? 16.017 1.423 -5.216 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 14 +ATOM 21958 C C . GLU A 1 72 ? 15.513 2.037 -6.528 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 14 +ATOM 21959 O O . GLU A 1 72 ? 16.282 2.569 -7.318 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 14 +ATOM 21960 C CB . GLU A 1 72 ? 16.130 -0.094 -5.426 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 14 +ATOM 21961 C CG . GLU A 1 72 ? 16.255 -0.941 -4.163 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 14 +ATOM 21962 C CD . GLU A 1 72 ? 17.319 -0.469 -3.213 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 14 +ATOM 21963 O OE1 . GLU A 1 72 ? 18.511 -0.625 -3.513 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 14 +ATOM 21964 O OE2 . GLU A 1 72 ? 16.969 0.076 -2.146 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 14 +ATOM 21965 H H . GLU A 1 72 ? 14.654 0.997 -3.648 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 14 +ATOM 21966 H HA . GLU A 1 72 ? 16.992 1.817 -4.971 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 14 +ATOM 21967 H HB2 . GLU A 1 72 ? 15.244 -0.421 -5.950 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 14 +ATOM 21968 H HB3 . GLU A 1 72 ? 16.986 -0.289 -6.054 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 14 +ATOM 21969 H HG2 . GLU A 1 72 ? 15.305 -0.934 -3.652 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 14 +ATOM 21970 H HG3 . GLU A 1 72 ? 16.481 -1.955 -4.458 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 14 +ATOM 21971 N N . LYS A 1 73 ? 14.209 1.961 -6.739 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 14 +ATOM 21972 C CA . LYS A 1 73 ? 13.607 2.433 -7.980 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 14 +ATOM 21973 C C . LYS A 1 73 ? 12.838 3.724 -7.762 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 14 +ATOM 21974 O O . LYS A 1 73 ? 12.301 4.300 -8.706 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 14 +ATOM 21975 C CB . LYS A 1 73 ? 12.690 1.360 -8.586 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 14 +ATOM 21976 C CG . LYS A 1 73 ? 13.403 0.086 -8.996 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 14 +ATOM 21977 C CD . LYS A 1 73 ? 12.435 -0.928 -9.588 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 14 +ATOM 21978 C CE . LYS A 1 73 ? 13.147 -2.209 -10.014 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 14 +ATOM 21979 N NZ . LYS A 1 73 ? 14.177 -1.962 -11.047 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 14 +ATOM 21980 H H . LYS A 1 73 ? 13.636 1.599 -6.031 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 14 +ATOM 21981 H HA . LYS A 1 73 ? 14.411 2.626 -8.673 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 14 +ATOM 21982 H HB2 . LYS A 1 73 ? 11.962 1.082 -7.840 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 14 +ATOM 21983 H HB3 . LYS A 1 73 ? 12.185 1.766 -9.451 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 14 +ATOM 21984 H HG2 . LYS A 1 73 ? 14.157 0.323 -9.733 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 14 +ATOM 21985 H HG3 . LYS A 1 73 ? 13.872 -0.344 -8.124 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 14 +ATOM 21986 H HD2 . LYS A 1 73 ? 11.686 -1.176 -8.851 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 14 +ATOM 21987 H HD3 . LYS A 1 73 ? 11.959 -0.490 -10.453 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 14 +ATOM 21988 H HE2 . LYS A 1 73 ? 13.621 -2.652 -9.150 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 14 +ATOM 21989 H HE3 . LYS A 1 73 ? 12.414 -2.897 -10.408 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 14 +ATOM 21990 H HZ1 . LYS A 1 73 ? 13.757 -1.537 -11.897 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 14 +ATOM 21991 H HZ2 . LYS A 1 73 ? 14.614 -2.856 -11.350 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 14 +ATOM 21992 H HZ3 . LYS A 1 73 ? 14.942 -1.343 -10.716 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 14 +ATOM 21993 N N . VAL A 1 74 ? 12.806 4.175 -6.506 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 14 +ATOM 21994 C CA . VAL A 1 74 ? 12.112 5.407 -6.092 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 14 +ATOM 21995 C C . VAL A 1 74 ? 10.585 5.251 -6.360 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 14 +ATOM 21996 O O . VAL A 1 74 ? 9.886 6.181 -6.771 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 14 +ATOM 21997 C CB . VAL A 1 74 ? 12.721 6.678 -6.820 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 14 +ATOM 21998 C CG1 . VAL A 1 74 ? 12.186 7.984 -6.236 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 14 +ATOM 21999 C CG2 . VAL A 1 74 ? 14.249 6.668 -6.755 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 14 +ATOM 22000 H H . VAL A 1 74 ? 13.273 3.654 -5.821 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 14 +ATOM 22001 H HA . VAL A 1 74 ? 12.246 5.499 -5.025 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 14 +ATOM 22002 H HB . VAL A 1 74 ? 12.427 6.635 -7.858 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 14 +ATOM 22003 H HG11 . VAL A 1 74 ? 11.116 8.018 -6.364 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 14 +ATOM 22004 H HG12 . VAL A 1 74 ? 12.638 8.820 -6.750 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 14 +ATOM 22005 H HG13 . VAL A 1 74 ? 12.425 8.033 -5.183 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 14 +ATOM 22006 H HG21 . VAL A 1 74 ? 14.621 5.781 -7.246 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 14 +ATOM 22007 H HG22 . VAL A 1 74 ? 14.563 6.662 -5.722 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 14 +ATOM 22008 H HG23 . VAL A 1 74 ? 14.641 7.546 -7.248 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 14 +ATOM 22009 N N . VAL A 1 75 ? 10.071 4.079 -6.065 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 14 +ATOM 22010 C CA . VAL A 1 75 ? 8.679 3.784 -6.311 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 14 +ATOM 22011 C C . VAL A 1 75 ? 8.057 3.082 -5.105 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 14 +ATOM 22012 O O . VAL A 1 75 ? 8.685 2.254 -4.451 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 14 +ATOM 22013 C CB . VAL A 1 75 ? 8.500 2.918 -7.614 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 14 +ATOM 22014 C CG1 . VAL A 1 75 ? 9.216 1.591 -7.499 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 14 +ATOM 22015 C CG2 . VAL A 1 75 ? 7.027 2.699 -7.959 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 14 +ATOM 22016 H H . VAL A 1 75 ? 10.629 3.394 -5.635 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 14 +ATOM 22017 H HA . VAL A 1 75 ? 8.167 4.725 -6.458 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 14 +ATOM 22018 H HB . VAL A 1 75 ? 8.963 3.461 -8.426 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 14 +ATOM 22019 H HG11 . VAL A 1 75 ? 9.136 1.053 -8.430 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 14 +ATOM 22020 H HG12 . VAL A 1 75 ? 8.756 1.015 -6.709 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 14 +ATOM 22021 H HG13 . VAL A 1 75 ? 10.252 1.775 -7.263 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 14 +ATOM 22022 H HG21 . VAL A 1 75 ? 6.949 2.106 -8.858 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 14 +ATOM 22023 H HG22 . VAL A 1 75 ? 6.540 3.651 -8.113 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 14 +ATOM 22024 H HG23 . VAL A 1 75 ? 6.543 2.180 -7.146 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 14 +ATOM 22025 N N . VAL A 1 76 ? 6.870 3.465 -4.798 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 14 +ATOM 22026 C CA . VAL A 1 76 ? 6.088 2.861 -3.781 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 14 +ATOM 22027 C C . VAL A 1 76 ? 5.192 1.840 -4.470 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 14 +ATOM 22028 O O . VAL A 1 76 ? 4.350 2.195 -5.308 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 14 +ATOM 22029 C CB . VAL A 1 76 ? 5.244 3.935 -3.051 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 14 +ATOM 22030 C CG1 . VAL A 1 76 ? 4.342 3.316 -2.012 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 14 +ATOM 22031 C CG2 . VAL A 1 76 ? 6.148 4.980 -2.408 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 14 +ATOM 22032 H H . VAL A 1 76 ? 6.459 4.199 -5.301 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 14 +ATOM 22033 H HA . VAL A 1 76 ? 6.743 2.365 -3.080 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 14 +ATOM 22034 H HB . VAL A 1 76 ? 4.636 4.434 -3.789 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 14 +ATOM 22035 H HG11 . VAL A 1 76 ? 3.769 4.091 -1.523 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 14 +ATOM 22036 H HG12 . VAL A 1 76 ? 4.939 2.798 -1.275 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 14 +ATOM 22037 H HG13 . VAL A 1 76 ? 3.669 2.618 -2.486 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 14 +ATOM 22038 H HG21 . VAL A 1 76 ? 5.550 5.705 -1.874 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 14 +ATOM 22039 H HG22 . VAL A 1 76 ? 6.711 5.482 -3.181 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 14 +ATOM 22040 H HG23 . VAL A 1 76 ? 6.833 4.500 -1.726 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 14 +ATOM 22041 N N . PHE A 1 77 ? 5.399 0.597 -4.158 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 14 +ATOM 22042 C CA . PHE A 1 77 ? 4.727 -0.484 -4.828 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 14 +ATOM 22043 C C . PHE A 1 77 ? 3.726 -1.141 -3.896 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 14 +ATOM 22044 O O . PHE A 1 77 ? 4.107 -1.761 -2.899 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 14 +ATOM 22045 C CB . PHE A 1 77 ? 5.785 -1.486 -5.312 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 14 +ATOM 22046 C CG . PHE A 1 77 ? 5.267 -2.646 -6.110 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 14 +ATOM 22047 C CD1 . PHE A 1 77 ? 4.848 -2.468 -7.413 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 14 +ATOM 22048 C CD2 . PHE A 1 77 ? 5.234 -3.921 -5.563 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 14 +ATOM 22049 C CE1 . PHE A 1 77 ? 4.401 -3.535 -8.160 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 14 +ATOM 22050 C CE2 . PHE A 1 77 ? 4.784 -4.992 -6.304 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 14 +ATOM 22051 C CZ . PHE A 1 77 ? 4.370 -4.799 -7.607 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 14 +ATOM 22052 H H . PHE A 1 77 ? 6.022 0.373 -3.430 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 14 +ATOM 22053 H HA . PHE A 1 77 ? 4.214 -0.084 -5.689 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 14 +ATOM 22054 H HB2 . PHE A 1 77 ? 6.498 -0.965 -5.933 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 14 +ATOM 22055 H HB3 . PHE A 1 77 ? 6.302 -1.879 -4.450 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 14 +ATOM 22056 H HD1 . PHE A 1 77 ? 4.870 -1.480 -7.849 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 14 +ATOM 22057 H HD2 . PHE A 1 77 ? 5.556 -4.071 -4.544 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 14 +ATOM 22058 H HE1 . PHE A 1 77 ? 4.075 -3.380 -9.177 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 14 +ATOM 22059 H HE2 . PHE A 1 77 ? 4.761 -5.980 -5.868 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 14 +ATOM 22060 H HZ . PHE A 1 77 ? 4.020 -5.635 -8.194 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 14 +ATOM 22061 N N . VAL A 1 78 ? 2.457 -0.976 -4.201 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 14 +ATOM 22062 C CA . VAL A 1 78 ? 1.387 -1.550 -3.403 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 14 +ATOM 22063 C C . VAL A 1 78 ? 1.309 -3.041 -3.667 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 14 +ATOM 22064 O O . VAL A 1 78 ? 1.136 -3.465 -4.809 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 14 +ATOM 22065 C CB . VAL A 1 78 ? 0.015 -0.876 -3.696 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 14 +ATOM 22066 C CG1 . VAL A 1 78 ? -1.093 -1.471 -2.825 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 14 +ATOM 22067 C CG2 . VAL A 1 78 ? 0.105 0.632 -3.485 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 14 +ATOM 22068 H H . VAL A 1 78 ? 2.240 -0.462 -5.014 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 14 +ATOM 22069 H HA . VAL A 1 78 ? 1.639 -1.407 -2.363 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 14 +ATOM 22070 H HB . VAL A 1 78 ? -0.239 -1.060 -4.729 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 14 +ATOM 22071 H HG11 . VAL A 1 78 ? -2.034 -0.985 -3.041 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 14 +ATOM 22072 H HG12 . VAL A 1 78 ? -0.851 -1.334 -1.781 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 14 +ATOM 22073 H HG13 . VAL A 1 78 ? -1.182 -2.527 -3.029 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 14 +ATOM 22074 H HG21 . VAL A 1 78 ? 0.844 1.042 -4.156 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 14 +ATOM 22075 H HG22 . VAL A 1 78 ? 0.393 0.841 -2.466 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 14 +ATOM 22076 H HG23 . VAL A 1 78 ? -0.856 1.084 -3.688 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 14 +ATOM 22077 N N . ILE A 1 79 ? 1.449 -3.820 -2.619 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 14 +ATOM 22078 C CA . ILE A 1 79 ? 1.485 -5.265 -2.743 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 14 +ATOM 22079 C C . ILE A 1 79 ? 0.092 -5.842 -2.530 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 14 +ATOM 22080 O O . ILE A 1 79 ? -0.343 -6.737 -3.255 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 14 +ATOM 22081 C CB . ILE A 1 79 ? 2.446 -5.882 -1.692 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 14 +ATOM 22082 C CG1 . ILE A 1 79 ? 3.817 -5.195 -1.749 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 14 +ATOM 22083 C CG2 . ILE A 1 79 ? 2.600 -7.389 -1.929 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 14 +ATOM 22084 C CD1 . ILE A 1 79 ? 4.766 -5.626 -0.652 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 14 +ATOM 22085 H H . ILE A 1 79 ? 1.519 -3.413 -1.728 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 14 +ATOM 22086 H HA . ILE A 1 79 ? 1.841 -5.521 -3.731 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 14 +ATOM 22087 H HB . ILE A 1 79 ? 2.019 -5.734 -0.711 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 14 +ATOM 22088 H HG12 . ILE A 1 79 ? 4.286 -5.420 -2.696 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 14 +ATOM 22089 H HG13 . ILE A 1 79 ? 3.679 -4.126 -1.672 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 14 +ATOM 22090 H HG21 . ILE A 1 79 ? 3.282 -7.795 -1.197 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 14 +ATOM 22091 H HG22 . ILE A 1 79 ? 2.992 -7.563 -2.920 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 14 +ATOM 22092 H HG23 . ILE A 1 79 ? 1.639 -7.872 -1.832 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 14 +ATOM 22093 H HD11 . ILE A 1 79 ? 4.908 -6.696 -0.701 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 14 +ATOM 22094 H HD12 . ILE A 1 79 ? 4.351 -5.356 0.309 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 14 +ATOM 22095 H HD13 . ILE A 1 79 ? 5.717 -5.132 -0.787 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 14 +ATOM 22096 N N . SER A 1 80 ? -0.609 -5.314 -1.545 1.00 0.00 ? ? ? ? ? ? 77 SER A N 14 +ATOM 22097 C CA . SER A 1 80 ? -1.923 -5.784 -1.224 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 14 +ATOM 22098 C C . SER A 1 80 ? -2.694 -4.661 -0.552 1.00 0.00 ? ? ? ? ? ? 77 SER A C 14 +ATOM 22099 O O . SER A 1 80 ? -2.099 -3.750 0.047 1.00 0.00 ? ? ? ? ? ? 77 SER A O 14 +ATOM 22100 C CB . SER A 1 80 ? -1.837 -7.025 -0.304 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 14 +ATOM 22101 O OG . SER A 1 80 ? -3.115 -7.620 -0.099 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 14 +ATOM 22102 H H . SER A 1 80 ? -0.257 -4.569 -1.009 1.00 0.00 ? ? ? ? ? ? 77 SER A H 14 +ATOM 22103 H HA . SER A 1 80 ? -2.417 -6.057 -2.144 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 14 +ATOM 22104 H HB2 . SER A 1 80 ? -1.184 -7.757 -0.757 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 14 +ATOM 22105 H HB3 . SER A 1 80 ? -1.431 -6.730 0.652 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 14 +ATOM 22106 H HG . SER A 1 80 ? -3.341 -8.040 -0.939 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 14 +ATOM 22107 N N . VAL A 1 81 ? -3.986 -4.708 -0.665 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 14 +ATOM 22108 C CA . VAL A 1 81 ? -4.857 -3.720 -0.101 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 14 +ATOM 22109 C C . VAL A 1 81 ? -6.163 -4.401 0.266 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 14 +ATOM 22110 O O . VAL A 1 81 ? -6.560 -5.362 -0.402 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 14 +ATOM 22111 C CB . VAL A 1 81 ? -5.099 -2.543 -1.117 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 14 +ATOM 22112 C CG1 . VAL A 1 81 ? -5.714 -3.033 -2.422 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 14 +ATOM 22113 C CG2 . VAL A 1 81 ? -5.951 -1.443 -0.510 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 14 +ATOM 22114 H H . VAL A 1 81 ? -4.408 -5.460 -1.134 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 14 +ATOM 22115 H HA . VAL A 1 81 ? -4.391 -3.332 0.792 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 14 +ATOM 22116 H HB . VAL A 1 81 ? -4.133 -2.127 -1.362 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 14 +ATOM 22117 H HG11 . VAL A 1 81 ? -5.047 -3.744 -2.887 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 14 +ATOM 22118 H HG12 . VAL A 1 81 ? -5.866 -2.196 -3.088 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 14 +ATOM 22119 H HG13 . VAL A 1 81 ? -6.661 -3.510 -2.219 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 14 +ATOM 22120 H HG21 . VAL A 1 81 ? -6.080 -0.654 -1.236 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 14 +ATOM 22121 H HG22 . VAL A 1 81 ? -5.456 -1.050 0.365 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 14 +ATOM 22122 H HG23 . VAL A 1 81 ? -6.916 -1.840 -0.231 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 14 +ATOM 22123 N N . GLY A 1 82 ? -6.776 -3.993 1.350 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 14 +ATOM 22124 C CA . GLY A 1 82 ? -8.053 -4.536 1.684 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 14 +ATOM 22125 C C . GLY A 1 82 ? -8.278 -4.598 3.160 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 14 +ATOM 22126 O O . GLY A 1 82 ? -7.919 -3.681 3.891 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 14 +ATOM 22127 H H . GLY A 1 82 ? -6.354 -3.352 1.971 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 14 +ATOM 22128 H HA2 . GLY A 1 82 ? -8.825 -3.929 1.235 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 14 +ATOM 22129 H HA3 . GLY A 1 82 ? -8.113 -5.535 1.280 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 14 +ATOM 22130 N N . LYS A 1 83 ? -8.867 -5.652 3.601 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 14 +ATOM 22131 C CA . LYS A 1 83 ? -9.143 -5.837 4.988 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 14 +ATOM 22132 C C . LYS A 1 83 ? -8.222 -6.881 5.554 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 14 +ATOM 22133 O O . LYS A 1 83 ? -8.481 -8.077 5.473 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 14 +ATOM 22134 C CB . LYS A 1 83 ? -10.608 -6.189 5.209 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 14 +ATOM 22135 C CG . LYS A 1 83 ? -11.559 -5.054 4.850 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 14 +ATOM 22136 C CD . LYS A 1 83 ? -13.020 -5.448 4.999 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 14 +ATOM 22137 C CE . LYS A 1 83 ? -13.429 -6.525 4.004 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 14 +ATOM 22138 N NZ . LYS A 1 83 ? -13.323 -6.074 2.597 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 14 +ATOM 22139 H H . LYS A 1 83 ? -9.120 -6.358 2.968 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 14 +ATOM 22140 H HA . LYS A 1 83 ? -8.931 -4.900 5.481 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 14 +ATOM 22141 H HB2 . LYS A 1 83 ? -10.840 -7.040 4.587 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 14 +ATOM 22142 H HB3 . LYS A 1 83 ? -10.758 -6.458 6.242 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 14 +ATOM 22143 H HG2 . LYS A 1 83 ? -11.357 -4.216 5.501 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 14 +ATOM 22144 H HG3 . LYS A 1 83 ? -11.373 -4.759 3.827 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 14 +ATOM 22145 H HD2 . LYS A 1 83 ? -13.178 -5.828 5.997 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 14 +ATOM 22146 H HD3 . LYS A 1 83 ? -13.637 -4.575 4.847 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 14 +ATOM 22147 H HE2 . LYS A 1 83 ? -12.779 -7.374 4.143 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 14 +ATOM 22148 H HE3 . LYS A 1 83 ? -14.448 -6.808 4.214 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 14 +ATOM 22149 H HZ1 . LYS A 1 83 ? -13.617 -6.820 1.935 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 14 +ATOM 22150 H HZ2 . LYS A 1 83 ? -12.342 -5.843 2.353 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 14 +ATOM 22151 H HZ3 . LYS A 1 83 ? -13.918 -5.236 2.415 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 14 +ATOM 22152 N N . ALA A 1 84 ? -7.116 -6.414 6.048 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 14 +ATOM 22153 C CA . ALA A 1 84 ? -6.110 -7.251 6.619 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 14 +ATOM 22154 C C . ALA A 1 84 ? -6.349 -7.380 8.091 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 14 +ATOM 22155 O O . ALA A 1 84 ? -6.232 -6.388 8.812 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 14 +ATOM 22156 C CB . ALA A 1 84 ? -4.765 -6.619 6.400 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 14 +ATOM 22157 H H . ALA A 1 84 ? -6.980 -5.446 6.037 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 14 +ATOM 22158 H HA . ALA A 1 84 ? -6.113 -8.216 6.132 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 14 +ATOM 22159 H HB1 . ALA A 1 84 ? -4.594 -6.493 5.342 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 14 +ATOM 22160 H HB2 . ALA A 1 84 ? -4.002 -7.252 6.824 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 14 +ATOM 22161 H HB3 . ALA A 1 84 ? -4.742 -5.653 6.884 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 14 +ATOM 22162 N N . GLU A 1 85 ? -6.679 -8.566 8.548 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 14 +ATOM 22163 C CA . GLU A 1 85 ? -6.921 -8.769 9.962 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 14 +ATOM 22164 C C . GLU A 1 85 ? -5.607 -8.608 10.748 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 14 +ATOM 22165 O O . GLU A 1 85 ? -5.545 -7.853 11.732 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 14 +ATOM 22166 C CB . GLU A 1 85 ? -7.630 -10.130 10.252 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 14 +ATOM 22167 C CG . GLU A 1 85 ? -6.794 -11.405 10.078 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 14 +ATOM 22168 C CD . GLU A 1 85 ? -6.225 -11.598 8.693 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 14 +ATOM 22169 O OE1 . GLU A 1 85 ? -5.103 -11.109 8.436 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 14 +ATOM 22170 O OE2 . GLU A 1 85 ? -6.862 -12.255 7.857 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 14 +ATOM 22171 H H . GLU A 1 85 ? -6.768 -9.320 7.926 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 14 +ATOM 22172 H HA . GLU A 1 85 ? -7.563 -7.962 10.278 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 14 +ATOM 22173 H HB2 . GLU A 1 85 ? -7.983 -10.114 11.273 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 14 +ATOM 22174 H HB3 . GLU A 1 85 ? -8.492 -10.200 9.604 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 14 +ATOM 22175 H HG2 . GLU A 1 85 ? -5.967 -11.341 10.770 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 14 +ATOM 22176 H HG3 . GLU A 1 85 ? -7.407 -12.256 10.334 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 14 +ATOM 22177 N N . ALA A 1 86 ? -4.555 -9.265 10.257 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 14 +ATOM 22178 C CA . ALA A 1 86 ? -3.237 -9.216 10.847 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 14 +ATOM 22179 C C . ALA A 1 86 ? -2.207 -9.909 9.955 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 14 +ATOM 22180 O O . ALA A 1 86 ? -1.191 -9.326 9.604 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 14 +ATOM 22181 C CB . ALA A 1 86 ? -3.235 -9.874 12.220 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 14 +ATOM 22182 H H . ALA A 1 86 ? -4.703 -9.829 9.459 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 14 +ATOM 22183 H HA . ALA A 1 86 ? -2.963 -8.178 10.971 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 14 +ATOM 22184 H HB1 . ALA A 1 86 ? -2.257 -9.763 12.660 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 14 +ATOM 22185 H HB2 . ALA A 1 86 ? -3.468 -10.923 12.115 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 14 +ATOM 22186 H HB3 . ALA A 1 86 ? -3.973 -9.399 12.850 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 14 +ATOM 22187 N N . SER A 1 87 ? -2.491 -11.125 9.549 1.00 0.00 ? ? ? ? ? ? 84 SER A N 14 +ATOM 22188 C CA . SER A 1 87 ? -1.495 -11.937 8.868 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 14 +ATOM 22189 C C . SER A 1 87 ? -1.733 -12.046 7.350 1.00 0.00 ? ? ? ? ? ? 84 SER A C 14 +ATOM 22190 O O . SER A 1 87 ? -0.816 -12.424 6.606 1.00 0.00 ? ? ? ? ? ? 84 SER A O 14 +ATOM 22191 C CB . SER A 1 87 ? -1.459 -13.333 9.501 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 14 +ATOM 22192 O OG . SER A 1 87 ? -1.267 -13.253 10.921 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 14 +ATOM 22193 H H . SER A 1 87 ? -3.394 -11.489 9.683 1.00 0.00 ? ? ? ? ? ? 84 SER A H 14 +ATOM 22194 H HA . SER A 1 87 ? -0.533 -11.477 9.034 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 14 +ATOM 22195 H HB2 . SER A 1 87 ? -2.396 -13.832 9.305 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 14 +ATOM 22196 H HB3 . SER A 1 87 ? -0.653 -13.908 9.071 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 14 +ATOM 22197 H HG . SER A 1 87 ? -2.116 -13.513 11.303 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 14 +ATOM 22198 N N . GLU A 1 88 ? -2.931 -11.681 6.888 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 14 +ATOM 22199 C CA . GLU A 1 88 ? -3.315 -11.856 5.475 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 14 +ATOM 22200 C C . GLU A 1 88 ? -2.347 -11.127 4.526 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 14 +ATOM 22201 O O . GLU A 1 88 ? -1.751 -11.736 3.637 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 14 +ATOM 22202 C CB . GLU A 1 88 ? -4.727 -11.298 5.259 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 14 +ATOM 22203 C CG . GLU A 1 88 ? -5.349 -11.651 3.921 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 14 +ATOM 22204 C CD . GLU A 1 88 ? -5.790 -13.093 3.850 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 14 +ATOM 22205 O OE1 . GLU A 1 88 ? -4.944 -14.004 3.791 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 14 +ATOM 22206 O OE2 . GLU A 1 88 ? -7.009 -13.348 3.858 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 14 +ATOM 22207 H H . GLU A 1 88 ? -3.612 -11.325 7.508 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 14 +ATOM 22208 H HA . GLU A 1 88 ? -3.324 -12.911 5.247 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 14 +ATOM 22209 H HB2 . GLU A 1 88 ? -5.369 -11.678 6.039 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 14 +ATOM 22210 H HB3 . GLU A 1 88 ? -4.683 -10.221 5.340 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 14 +ATOM 22211 H HG2 . GLU A 1 88 ? -6.209 -11.021 3.757 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 14 +ATOM 22212 H HG3 . GLU A 1 88 ? -4.620 -11.476 3.145 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 14 +ATOM 22213 N N . VAL A 1 89 ? -2.129 -9.851 4.780 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 14 +ATOM 22214 C CA . VAL A 1 89 ? -1.286 -9.041 3.903 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 14 +ATOM 22215 C C . VAL A 1 89 ? 0.189 -9.332 4.088 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 14 +ATOM 22216 O O . VAL A 1 89 ? 0.967 -9.228 3.145 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 14 +ATOM 22217 C CB . VAL A 1 89 ? -1.562 -7.534 4.043 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 14 +ATOM 22218 C CG1 . VAL A 1 89 ? -2.940 -7.198 3.500 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 14 +ATOM 22219 C CG2 . VAL A 1 89 ? -1.421 -7.093 5.499 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 14 +ATOM 22220 H H . VAL A 1 89 ? -2.557 -9.458 5.567 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 14 +ATOM 22221 H HA . VAL A 1 89 ? -1.541 -9.335 2.895 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 14 +ATOM 22222 H HB . VAL A 1 89 ? -0.840 -6.993 3.449 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 14 +ATOM 22223 H HG11 . VAL A 1 89 ? -3.683 -7.780 4.025 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 14 +ATOM 22224 H HG12 . VAL A 1 89 ? -2.983 -7.429 2.447 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 14 +ATOM 22225 H HG13 . VAL A 1 89 ? -3.137 -6.147 3.646 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 14 +ATOM 22226 H HG21 . VAL A 1 89 ? -1.678 -6.049 5.592 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 14 +ATOM 22227 H HG22 . VAL A 1 89 ? -0.399 -7.240 5.819 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 14 +ATOM 22228 H HG23 . VAL A 1 89 ? -2.078 -7.684 6.118 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 14 +ATOM 22229 N N . TYR A 1 90 ? 0.566 -9.716 5.298 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 14 +ATOM 22230 C CA . TYR A 1 90 ? 1.943 -10.079 5.575 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 14 +ATOM 22231 C C . TYR A 1 90 ? 2.331 -11.297 4.775 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 14 +ATOM 22232 O O . TYR A 1 90 ? 3.397 -11.335 4.183 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 14 +ATOM 22233 C CB . TYR A 1 90 ? 2.179 -10.323 7.070 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 14 +ATOM 22234 C CG . TYR A 1 90 ? 2.455 -9.076 7.890 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 14 +ATOM 22235 C CD1 . TYR A 1 90 ? 1.455 -8.162 8.195 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 14 +ATOM 22236 C CD2 . TYR A 1 90 ? 3.733 -8.826 8.369 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 14 +ATOM 22237 C CE1 . TYR A 1 90 ? 1.729 -7.035 8.955 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 14 +ATOM 22238 C CE2 . TYR A 1 90 ? 4.015 -7.711 9.130 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 14 +ATOM 22239 C CZ . TYR A 1 90 ? 3.014 -6.819 9.421 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 14 +ATOM 22240 O OH . TYR A 1 90 ? 3.294 -5.707 10.195 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 14 +ATOM 22241 H H . TYR A 1 90 ? -0.101 -9.767 6.012 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 14 +ATOM 22242 H HA . TYR A 1 90 ? 2.562 -9.255 5.253 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 14 +ATOM 22243 H HB2 . TYR A 1 90 ? 1.304 -10.797 7.488 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 14 +ATOM 22244 H HB3 . TYR A 1 90 ? 3.022 -10.988 7.182 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 14 +ATOM 22245 H HD1 . TYR A 1 90 ? 0.454 -8.337 7.830 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 14 +ATOM 22246 H HD2 . TYR A 1 90 ? 4.523 -9.527 8.141 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 14 +ATOM 22247 H HE1 . TYR A 1 90 ? 0.942 -6.332 9.183 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 14 +ATOM 22248 H HE2 . TYR A 1 90 ? 5.019 -7.542 9.489 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 14 +ATOM 22249 H HH . TYR A 1 90 ? 2.570 -5.660 10.835 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 14 +ATOM 22250 N N . SER A 1 91 ? 1.432 -12.252 4.708 1.00 0.00 ? ? ? ? ? ? 88 SER A N 14 +ATOM 22251 C CA . SER A 1 91 ? 1.670 -13.476 3.985 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 14 +ATOM 22252 C C . SER A 1 91 ? 1.758 -13.230 2.482 1.00 0.00 ? ? ? ? ? ? 88 SER A C 14 +ATOM 22253 O O . SER A 1 91 ? 2.671 -13.742 1.820 1.00 0.00 ? ? ? ? ? ? 88 SER A O 14 +ATOM 22254 C CB . SER A 1 91 ? 0.596 -14.479 4.335 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 14 +ATOM 22255 O OG . SER A 1 91 ? 0.569 -14.671 5.750 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 14 +ATOM 22256 H H . SER A 1 91 ? 0.571 -12.138 5.166 1.00 0.00 ? ? ? ? ? ? 88 SER A H 14 +ATOM 22257 H HA . SER A 1 91 ? 2.623 -13.864 4.308 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 14 +ATOM 22258 H HB2 . SER A 1 91 ? -0.361 -14.099 4.008 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 14 +ATOM 22259 H HB3 . SER A 1 91 ? 0.806 -15.423 3.855 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 14 +ATOM 22260 H HG . SER A 1 91 ? 0.010 -13.978 6.135 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 14 +ATOM 22261 N N . GLU A 1 92 ? 0.853 -12.401 1.965 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 14 +ATOM 22262 C CA . GLU A 1 92 ? 0.858 -12.044 0.546 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 14 +ATOM 22263 C C . GLU A 1 92 ? 2.152 -11.349 0.171 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 14 +ATOM 22264 O O . GLU A 1 92 ? 2.693 -11.563 -0.903 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 14 +ATOM 22265 C CB . GLU A 1 92 ? -0.318 -11.125 0.205 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 14 +ATOM 22266 C CG . GLU A 1 92 ? -1.677 -11.789 0.245 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 14 +ATOM 22267 C CD . GLU A 1 92 ? -1.830 -12.857 -0.807 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 14 +ATOM 22268 O OE1 . GLU A 1 92 ? -2.021 -12.524 -2.002 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 14 +ATOM 22269 O OE2 . GLU A 1 92 ? -1.824 -14.047 -0.471 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 14 +ATOM 22270 H H . GLU A 1 92 ? 0.151 -12.032 2.544 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 14 +ATOM 22271 H HA . GLU A 1 92 ? 0.772 -12.952 -0.030 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 14 +ATOM 22272 H HB2 . GLU A 1 92 ? -0.327 -10.303 0.905 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 14 +ATOM 22273 H HB3 . GLU A 1 92 ? -0.165 -10.728 -0.788 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 14 +ATOM 22274 H HG2 . GLU A 1 92 ? -1.814 -12.243 1.217 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 14 +ATOM 22275 H HG3 . GLU A 1 92 ? -2.438 -11.038 0.089 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 14 +ATOM 22276 N N . ALA A 1 93 ? 2.650 -10.541 1.063 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 14 +ATOM 22277 C CA . ALA A 1 93 ? 3.848 -9.802 0.806 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 14 +ATOM 22278 C C . ALA A 1 93 ? 5.112 -10.649 0.998 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 14 +ATOM 22279 O O . ALA A 1 93 ? 5.890 -10.816 0.067 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 14 +ATOM 22280 C CB . ALA A 1 93 ? 3.888 -8.549 1.658 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 14 +ATOM 22281 H H . ALA A 1 93 ? 2.184 -10.429 1.921 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 14 +ATOM 22282 H HA . ALA A 1 93 ? 3.812 -9.495 -0.228 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 14 +ATOM 22283 H HB1 . ALA A 1 93 ? 2.990 -7.972 1.492 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 14 +ATOM 22284 H HB2 . ALA A 1 93 ? 4.752 -7.957 1.393 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 14 +ATOM 22285 H HB3 . ALA A 1 93 ? 3.946 -8.827 2.699 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 14 +ATOM 22286 N N . VAL A 1 94 ? 5.277 -11.242 2.170 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 14 +ATOM 22287 C CA . VAL A 1 94 ? 6.536 -11.921 2.511 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 14 +ATOM 22288 C C . VAL A 1 94 ? 6.809 -13.148 1.630 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 14 +ATOM 22289 O O . VAL A 1 94 ? 7.954 -13.443 1.315 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 14 +ATOM 22290 C CB . VAL A 1 94 ? 6.643 -12.290 4.032 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 14 +ATOM 22291 C CG1 . VAL A 1 94 ? 5.724 -13.438 4.426 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 14 +ATOM 22292 C CG2 . VAL A 1 94 ? 8.088 -12.570 4.441 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 14 +ATOM 22293 H H . VAL A 1 94 ? 4.538 -11.234 2.821 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 14 +ATOM 22294 H HA . VAL A 1 94 ? 7.318 -11.210 2.284 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 14 +ATOM 22295 H HB . VAL A 1 94 ? 6.306 -11.425 4.584 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 14 +ATOM 22296 H HG11 . VAL A 1 94 ? 5.970 -14.313 3.842 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 14 +ATOM 22297 H HG12 . VAL A 1 94 ? 4.698 -13.157 4.238 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 14 +ATOM 22298 H HG13 . VAL A 1 94 ? 5.855 -13.658 5.475 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 14 +ATOM 22299 H HG21 . VAL A 1 94 ? 8.684 -11.684 4.278 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 14 +ATOM 22300 H HG22 . VAL A 1 94 ? 8.479 -13.377 3.841 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 14 +ATOM 22301 H HG23 . VAL A 1 94 ? 8.124 -12.844 5.485 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 14 +ATOM 22302 N N . LYS A 1 95 ? 5.766 -13.843 1.210 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 14 +ATOM 22303 C CA . LYS A 1 95 ? 5.963 -15.021 0.382 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 14 +ATOM 22304 C C . LYS A 1 95 ? 6.284 -14.624 -1.051 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 14 +ATOM 22305 O O . LYS A 1 95 ? 7.020 -15.321 -1.766 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 14 +ATOM 22306 C CB . LYS A 1 95 ? 4.745 -15.943 0.424 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 14 +ATOM 22307 C CG . LYS A 1 95 ? 4.413 -16.508 1.809 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 14 +ATOM 22308 C CD . LYS A 1 95 ? 5.570 -17.318 2.379 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 14 +ATOM 22309 C CE . LYS A 1 95 ? 5.209 -17.969 3.707 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 14 +ATOM 22310 N NZ . LYS A 1 95 ? 4.865 -16.985 4.756 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 14 +ATOM 22311 H H . LYS A 1 95 ? 4.859 -13.560 1.457 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 14 +ATOM 22312 H HA . LYS A 1 95 ? 6.818 -15.553 0.771 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 14 +ATOM 22313 H HB2 . LYS A 1 95 ? 3.885 -15.390 0.074 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 14 +ATOM 22314 H HB3 . LYS A 1 95 ? 4.922 -16.771 -0.244 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 14 +ATOM 22315 H HG2 . LYS A 1 95 ? 4.201 -15.689 2.480 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 14 +ATOM 22316 H HG3 . LYS A 1 95 ? 3.543 -17.142 1.731 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 14 +ATOM 22317 H HD2 . LYS A 1 95 ? 5.848 -18.087 1.674 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 14 +ATOM 22318 H HD3 . LYS A 1 95 ? 6.407 -16.655 2.533 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 14 +ATOM 22319 H HE2 . LYS A 1 95 ? 4.354 -18.607 3.550 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 14 +ATOM 22320 H HE3 . LYS A 1 95 ? 6.046 -18.566 4.039 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 14 +ATOM 22321 H HZ1 . LYS A 1 95 ? 5.650 -16.342 4.972 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 14 +ATOM 22322 H HZ2 . LYS A 1 95 ? 4.623 -17.489 5.632 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 14 +ATOM 22323 H HZ3 . LYS A 1 95 ? 4.012 -16.433 4.534 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 14 +ATOM 22324 N N . ARG A 1 96 ? 5.781 -13.486 -1.456 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 14 +ATOM 22325 C CA . ARG A 1 96 ? 5.963 -13.029 -2.808 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 14 +ATOM 22326 C C . ARG A 1 96 ? 7.240 -12.245 -2.994 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 14 +ATOM 22327 O O . ARG A 1 96 ? 7.850 -12.311 -4.062 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 14 +ATOM 22328 C CB . ARG A 1 96 ? 4.770 -12.247 -3.292 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 14 +ATOM 22329 C CG . ARG A 1 96 ? 3.525 -13.089 -3.475 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 14 +ATOM 22330 C CD . ARG A 1 96 ? 2.429 -12.257 -4.081 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 14 +ATOM 22331 N NE . ARG A 1 96 ? 2.855 -11.691 -5.362 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 14 +ATOM 22332 C CZ . ARG A 1 96 ? 2.350 -10.600 -5.921 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 14 +ATOM 22333 N NH1 . ARG A 1 96 ? 1.375 -9.932 -5.322 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 14 +ATOM 22334 N NH2 . ARG A 1 96 ? 2.841 -10.161 -7.058 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 14 +ATOM 22335 H H . ARG A 1 96 ? 5.285 -12.927 -0.819 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 14 +ATOM 22336 H HA . ARG A 1 96 ? 6.043 -13.917 -3.417 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 14 +ATOM 22337 H HB2 . ARG A 1 96 ? 4.550 -11.472 -2.571 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 14 +ATOM 22338 H HB3 . ARG A 1 96 ? 5.006 -11.781 -4.237 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 14 +ATOM 22339 H HG2 . ARG A 1 96 ? 3.750 -13.921 -4.125 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 14 +ATOM 22340 H HG3 . ARG A 1 96 ? 3.201 -13.454 -2.511 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 14 +ATOM 22341 H HD2 . ARG A 1 96 ? 1.563 -12.883 -4.240 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 14 +ATOM 22342 H HD3 . ARG A 1 96 ? 2.180 -11.451 -3.407 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 14 +ATOM 22343 H HE . ARG A 1 96 ? 3.583 -12.177 -5.811 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 14 +ATOM 22344 H HH11 . ARG A 1 96 ? 0.988 -10.193 -4.439 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 14 +ATOM 22345 H HH12 . ARG A 1 96 ? 0.954 -9.136 -5.794 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 14 +ATOM 22346 H HH21 . ARG A 1 96 ? 3.592 -10.609 -7.549 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 14 +ATOM 22347 H HH22 . ARG A 1 96 ? 2.478 -9.317 -7.489 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 14 +ATOM 22348 N N . ILE A 1 97 ? 7.635 -11.489 -1.993 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 14 +ATOM 22349 C CA . ILE A 1 97 ? 8.886 -10.761 -2.058 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 14 +ATOM 22350 C C . ILE A 1 97 ? 10.037 -11.722 -1.832 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 14 +ATOM 22351 O O . ILE A 1 97 ? 10.174 -12.336 -0.762 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 14 +ATOM 22352 C CB . ILE A 1 97 ? 8.952 -9.503 -1.095 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 14 +ATOM 22353 C CG1 . ILE A 1 97 ? 8.188 -8.289 -1.684 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 14 +ATOM 22354 C CG2 . ILE A 1 97 ? 10.395 -9.095 -0.784 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 14 +ATOM 22355 C CD1 . ILE A 1 97 ? 6.704 -8.481 -1.896 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 14 +ATOM 22356 H H . ILE A 1 97 ? 7.081 -11.416 -1.183 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 14 +ATOM 22357 H HA . ILE A 1 97 ? 8.966 -10.425 -3.082 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 14 +ATOM 22358 H HB . ILE A 1 97 ? 8.483 -9.783 -0.163 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 14 +ATOM 22359 H HG12 . ILE A 1 97 ? 8.307 -7.447 -1.018 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 14 +ATOM 22360 H HG13 . ILE A 1 97 ? 8.634 -8.034 -2.636 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 14 +ATOM 22361 H HG21 . ILE A 1 97 ? 10.905 -8.852 -1.705 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 14 +ATOM 22362 H HG22 . ILE A 1 97 ? 10.903 -9.916 -0.301 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 14 +ATOM 22363 H HG23 . ILE A 1 97 ? 10.392 -8.234 -0.131 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 14 +ATOM 22364 H HD11 . ILE A 1 97 ? 6.235 -8.686 -0.944 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 14 +ATOM 22365 H HD12 . ILE A 1 97 ? 6.542 -9.309 -2.568 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 14 +ATOM 22366 H HD13 . ILE A 1 97 ? 6.283 -7.581 -2.319 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 14 +ATOM 22367 N N . LEU A 1 98 ? 10.811 -11.892 -2.853 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 14 +ATOM 22368 C CA . LEU A 1 98 ? 11.900 -12.794 -2.839 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 14 +ATOM 22369 C C . LEU A 1 98 ? 13.128 -12.012 -3.228 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 14 +ATOM 22370 O O . LEU A 1 98 ? 13.900 -11.625 -2.348 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 14 +ATOM 22371 C CB . LEU A 1 98 ? 11.633 -13.929 -3.835 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 14 +ATOM 22372 C CG . LEU A 1 98 ? 12.598 -15.104 -3.798 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 14 +ATOM 22373 C CD1 . LEU A 1 98 ? 12.508 -15.811 -2.456 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 14 +ATOM 22374 C CD2 . LEU A 1 98 ? 12.297 -16.070 -4.933 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 14 +ATOM 22375 O OXT . LEU A 1 98 ? 13.260 -11.671 -4.415 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 14 +ATOM 22376 H H . LEU A 1 98 ? 10.672 -11.372 -3.672 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 14 +ATOM 22377 H HA . LEU A 1 98 ? 12.012 -13.199 -1.844 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 14 +ATOM 22378 H HB2 . LEU A 1 98 ? 10.639 -14.309 -3.649 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 14 +ATOM 22379 H HB3 . LEU A 1 98 ? 11.653 -13.508 -4.829 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 14 +ATOM 22380 H HG . LEU A 1 98 ? 13.608 -14.741 -3.917 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 14 +ATOM 22381 H HD11 . LEU A 1 98 ? 12.791 -15.131 -1.666 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 14 +ATOM 22382 H HD12 . LEU A 1 98 ? 13.166 -16.665 -2.449 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 14 +ATOM 22383 H HD13 . LEU A 1 98 ? 11.494 -16.144 -2.296 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 14 +ATOM 22384 H HD21 . LEU A 1 98 ? 12.391 -15.559 -5.879 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 14 +ATOM 22385 H HD22 . LEU A 1 98 ? 11.291 -16.447 -4.829 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 14 +ATOM 22386 H HD23 . LEU A 1 98 ? 12.993 -16.895 -4.899 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 14 +ATOM 22387 N N . MET A 1 4 ? 11.630 14.458 -1.201 1.00 0.00 ? ? ? ? ? ? 1 MET A N 15 +ATOM 22388 C CA . MET A 1 4 ? 11.381 14.016 -2.579 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 15 +ATOM 22389 C C . MET A 1 4 ? 10.097 13.229 -2.618 1.00 0.00 ? ? ? ? ? ? 1 MET A C 15 +ATOM 22390 O O . MET A 1 4 ? 9.775 12.536 -1.658 1.00 0.00 ? ? ? ? ? ? 1 MET A O 15 +ATOM 22391 C CB . MET A 1 4 ? 12.540 13.136 -3.084 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 15 +ATOM 22392 C CG . MET A 1 4 ? 12.388 12.636 -4.522 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 15 +ATOM 22393 S SD . MET A 1 4 ? 13.757 11.584 -5.065 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 15 +ATOM 22394 C CE . MET A 1 4 ? 13.628 10.223 -3.907 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 15 +ATOM 22395 H H . MET A 1 4 ? 11.691 13.640 -0.565 1.00 0.00 ? ? ? ? ? ? 1 MET A H 15 +ATOM 22396 H HA . MET A 1 4 ? 11.288 14.890 -3.207 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 15 +ATOM 22397 H HB2 . MET A 1 4 ? 13.455 13.704 -3.028 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 15 +ATOM 22398 H HB3 . MET A 1 4 ? 12.613 12.277 -2.434 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 15 +ATOM 22399 H HG2 . MET A 1 4 ? 11.472 12.069 -4.596 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 15 +ATOM 22400 H HG3 . MET A 1 4 ? 12.332 13.491 -5.179 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 15 +ATOM 22401 H HE1 . MET A 1 4 ? 13.805 10.577 -2.903 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 15 +ATOM 22402 H HE2 . MET A 1 4 ? 14.353 9.463 -4.158 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 15 +ATOM 22403 H HE3 . MET A 1 4 ? 12.635 9.803 -3.966 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 15 +ATOM 22404 N N . ALA A 1 5 ? 9.368 13.343 -3.705 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 15 +ATOM 22405 C CA . ALA A 1 5 ? 8.139 12.611 -3.882 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 15 +ATOM 22406 C C . ALA A 1 5 ? 8.409 11.385 -4.724 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 15 +ATOM 22407 O O . ALA A 1 5 ? 9.031 11.471 -5.785 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 15 +ATOM 22408 C CB . ALA A 1 5 ? 7.068 13.480 -4.529 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 15 +ATOM 22409 H H . ALA A 1 5 ? 9.682 13.920 -4.435 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 15 +ATOM 22410 H HA . ALA A 1 5 ? 7.794 12.293 -2.909 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 15 +ATOM 22411 H HB1 . ALA A 1 5 ? 6.884 14.350 -3.914 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 15 +ATOM 22412 H HB2 . ALA A 1 5 ? 6.157 12.906 -4.625 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 15 +ATOM 22413 H HB3 . ALA A 1 5 ? 7.400 13.791 -5.508 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 15 +ATOM 22414 N N . TYR A 1 6 ? 7.977 10.266 -4.245 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 15 +ATOM 22415 C CA . TYR A 1 6 ? 8.186 9.000 -4.912 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 15 +ATOM 22416 C C . TYR A 1 6 ? 7.011 8.699 -5.845 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 15 +ATOM 22417 O O . TYR A 1 6 ? 6.023 9.443 -5.875 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 15 +ATOM 22418 C CB . TYR A 1 6 ? 8.365 7.874 -3.867 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 15 +ATOM 22419 C CG . TYR A 1 6 ? 9.607 8.010 -2.971 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 15 +ATOM 22420 C CD1 . TYR A 1 6 ? 9.771 9.104 -2.126 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 15 +ATOM 22421 C CD2 . TYR A 1 6 ? 10.596 7.031 -2.958 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 15 +ATOM 22422 C CE1 . TYR A 1 6 ? 10.867 9.224 -1.303 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 15 +ATOM 22423 C CE2 . TYR A 1 6 ? 11.706 7.148 -2.131 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 15 +ATOM 22424 C CZ . TYR A 1 6 ? 11.832 8.251 -1.307 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 15 +ATOM 22425 O OH . TYR A 1 6 ? 12.925 8.376 -0.473 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 15 +ATOM 22426 H H . TYR A 1 6 ? 7.485 10.290 -3.394 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 15 +ATOM 22427 H HA . TYR A 1 6 ? 9.089 9.078 -5.500 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 15 +ATOM 22428 H HB2 . TYR A 1 6 ? 7.500 7.855 -3.220 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 15 +ATOM 22429 H HB3 . TYR A 1 6 ? 8.431 6.929 -4.386 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 15 +ATOM 22430 H HD1 . TYR A 1 6 ? 9.015 9.875 -2.120 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 15 +ATOM 22431 H HD2 . TYR A 1 6 ? 10.491 6.172 -3.604 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 15 +ATOM 22432 H HE1 . TYR A 1 6 ? 10.966 10.084 -0.659 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 15 +ATOM 22433 H HE2 . TYR A 1 6 ? 12.466 6.381 -2.135 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 15 +ATOM 22434 H HH . TYR A 1 6 ? 13.714 8.093 -0.944 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 15 +ATOM 22435 N N . PHE A 1 7 ? 7.130 7.648 -6.613 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 15 +ATOM 22436 C CA . PHE A 1 7 ? 6.079 7.221 -7.526 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 15 +ATOM 22437 C C . PHE A 1 7 ? 5.244 6.137 -6.872 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 15 +ATOM 22438 O O . PHE A 1 7 ? 5.667 5.563 -5.896 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 15 +ATOM 22439 C CB . PHE A 1 7 ? 6.693 6.730 -8.842 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 15 +ATOM 22440 C CG . PHE A 1 7 ? 7.380 7.826 -9.604 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 15 +ATOM 22441 C CD1 . PHE A 1 7 ? 6.651 8.676 -10.419 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 15 +ATOM 22442 C CD2 . PHE A 1 7 ? 8.748 8.020 -9.493 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 15 +ATOM 22443 C CE1 . PHE A 1 7 ? 7.271 9.697 -11.108 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 15 +ATOM 22444 C CE2 . PHE A 1 7 ? 9.374 9.037 -10.180 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 15 +ATOM 22445 C CZ . PHE A 1 7 ? 8.633 9.879 -10.987 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 15 +ATOM 22446 H H . PHE A 1 7 ? 7.961 7.122 -6.571 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 15 +ATOM 22447 H HA . PHE A 1 7 ? 5.449 8.076 -7.724 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 15 +ATOM 22448 H HB2 . PHE A 1 7 ? 7.439 5.985 -8.603 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 15 +ATOM 22449 H HB3 . PHE A 1 7 ? 5.942 6.280 -9.473 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 15 +ATOM 22450 H HD1 . PHE A 1 7 ? 5.585 8.535 -10.514 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 15 +ATOM 22451 H HD2 . PHE A 1 7 ? 9.326 7.362 -8.861 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 15 +ATOM 22452 H HE1 . PHE A 1 7 ? 6.692 10.353 -11.741 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 15 +ATOM 22453 H HE2 . PHE A 1 7 ? 10.440 9.179 -10.085 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 15 +ATOM 22454 H HZ . PHE A 1 7 ? 9.117 10.681 -11.525 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 15 +ATOM 22455 N N . LEU A 1 8 ? 4.065 5.877 -7.381 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 15 +ATOM 22456 C CA . LEU A 1 8 ? 3.190 4.876 -6.787 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 15 +ATOM 22457 C C . LEU A 1 8 ? 2.769 3.881 -7.874 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 15 +ATOM 22458 O O . LEU A 1 8 ? 2.471 4.293 -9.000 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 15 +ATOM 22459 C CB . LEU A 1 8 ? 1.948 5.597 -6.172 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 15 +ATOM 22460 C CG . LEU A 1 8 ? 1.073 4.843 -5.123 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 15 +ATOM 22461 C CD1 . LEU A 1 8 ? 0.372 3.629 -5.687 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 15 +ATOM 22462 C CD2 . LEU A 1 8 ? 1.888 4.459 -3.908 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 15 +ATOM 22463 H H . LEU A 1 8 ? 3.754 6.333 -8.191 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 15 +ATOM 22464 H HA . LEU A 1 8 ? 3.730 4.361 -6.008 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 15 +ATOM 22465 H HB2 . LEU A 1 8 ? 2.299 6.504 -5.707 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 15 +ATOM 22466 H HB3 . LEU A 1 8 ? 1.309 5.882 -6.995 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 15 +ATOM 22467 H HG . LEU A 1 8 ? 0.299 5.520 -4.794 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 15 +ATOM 22468 H HD11 . LEU A 1 8 ? 1.108 2.967 -6.119 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 15 +ATOM 22469 H HD12 . LEU A 1 8 ? -0.347 3.927 -6.435 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 15 +ATOM 22470 H HD13 . LEU A 1 8 ? -0.125 3.114 -4.878 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 15 +ATOM 22471 H HD21 . LEU A 1 8 ? 1.259 3.918 -3.217 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 15 +ATOM 22472 H HD22 . LEU A 1 8 ? 2.268 5.346 -3.424 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 15 +ATOM 22473 H HD23 . LEU A 1 8 ? 2.709 3.826 -4.210 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 15 +ATOM 22474 N N . ASP A 1 9 ? 2.782 2.596 -7.559 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 15 +ATOM 22475 C CA . ASP A 1 9 ? 2.278 1.567 -8.471 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 15 +ATOM 22476 C C . ASP A 1 9 ? 1.540 0.501 -7.679 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 15 +ATOM 22477 O O . ASP A 1 9 ? 1.813 0.300 -6.487 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 15 +ATOM 22478 C CB . ASP A 1 9 ? 3.396 0.930 -9.306 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 15 +ATOM 22479 C CG . ASP A 1 9 ? 2.881 -0.095 -10.316 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 15 +ATOM 22480 O OD1 . ASP A 1 9 ? 2.146 0.285 -11.270 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 15 +ATOM 22481 O OD2 . ASP A 1 9 ? 3.207 -1.278 -10.190 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 15 +ATOM 22482 H H . ASP A 1 9 ? 3.136 2.310 -6.685 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 15 +ATOM 22483 H HA . ASP A 1 9 ? 1.572 2.056 -9.124 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 15 +ATOM 22484 H HB2 . ASP A 1 9 ? 3.969 1.684 -9.824 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 15 +ATOM 22485 H HB3 . ASP A 1 9 ? 4.024 0.403 -8.608 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 15 +ATOM 22486 N N . PHE A 1 10 ? 0.622 -0.166 -8.320 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 15 +ATOM 22487 C CA . PHE A 1 10 ? -0.194 -1.175 -7.676 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 15 +ATOM 22488 C C . PHE A 1 10 ? 0.110 -2.544 -8.245 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 15 +ATOM 22489 O O . PHE A 1 10 ? 0.091 -2.737 -9.476 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 15 +ATOM 22490 C CB . PHE A 1 10 ? -1.685 -0.894 -7.877 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 15 +ATOM 22491 C CG . PHE A 1 10 ? -2.177 0.416 -7.344 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 15 +ATOM 22492 C CD1 . PHE A 1 10 ? -2.571 0.540 -6.029 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 15 +ATOM 22493 C CD2 . PHE A 1 10 ? -2.266 1.520 -8.174 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 15 +ATOM 22494 C CE1 . PHE A 1 10 ? -3.041 1.741 -5.546 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 15 +ATOM 22495 C CE2 . PHE A 1 10 ? -2.733 2.726 -7.698 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 15 +ATOM 22496 C CZ . PHE A 1 10 ? -3.123 2.837 -6.383 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 15 +ATOM 22497 H H . PHE A 1 10 ? 0.527 0.009 -9.278 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 15 +ATOM 22498 H HA . PHE A 1 10 ? 0.020 -1.166 -6.618 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 15 +ATOM 22499 H HB2 . PHE A 1 10 ? -1.898 -0.910 -8.935 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 15 +ATOM 22500 H HB3 . PHE A 1 10 ? -2.252 -1.683 -7.403 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 15 +ATOM 22501 H HD1 . PHE A 1 10 ? -2.505 -0.317 -5.374 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 15 +ATOM 22502 H HD2 . PHE A 1 10 ? -1.957 1.426 -9.203 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 15 +ATOM 22503 H HE1 . PHE A 1 10 ? -3.347 1.828 -4.514 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 15 +ATOM 22504 H HE2 . PHE A 1 10 ? -2.795 3.582 -8.356 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 15 +ATOM 22505 H HZ . PHE A 1 10 ? -3.492 3.780 -6.004 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 15 +ATOM 22506 N N . ASP A 1 11 ? 0.379 -3.471 -7.365 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 15 +ATOM 22507 C CA . ASP A 1 11 ? 0.623 -4.863 -7.714 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 15 +ATOM 22508 C C . ASP A 1 11 ? -0.637 -5.527 -8.243 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 15 +ATOM 22509 O O . ASP A 1 11 ? -1.741 -5.079 -7.952 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 15 +ATOM 22510 C CB . ASP A 1 11 ? 1.139 -5.654 -6.514 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 15 +ATOM 22511 C CG . ASP A 1 11 ? 1.331 -7.100 -6.855 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 15 +ATOM 22512 O OD1 . ASP A 1 11 ? 2.133 -7.397 -7.751 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 15 +ATOM 22513 O OD2 . ASP A 1 11 ? 0.648 -7.964 -6.284 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 15 +ATOM 22514 H H . ASP A 1 11 ? 0.431 -3.235 -6.412 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 15 +ATOM 22515 H HA . ASP A 1 11 ? 1.377 -4.882 -8.488 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 15 +ATOM 22516 H HB2 . ASP A 1 11 ? 2.086 -5.245 -6.194 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 15 +ATOM 22517 H HB3 . ASP A 1 11 ? 0.427 -5.581 -5.705 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 15 +ATOM 22518 N N . GLU A 1 12 ? -0.458 -6.583 -9.015 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 15 +ATOM 22519 C CA . GLU A 1 12 ? -1.534 -7.372 -9.574 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 15 +ATOM 22520 C C . GLU A 1 12 ? -2.522 -7.838 -8.475 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 15 +ATOM 22521 O O . GLU A 1 12 ? -3.735 -7.805 -8.685 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 15 +ATOM 22522 C CB . GLU A 1 12 ? -0.939 -8.588 -10.302 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 15 +ATOM 22523 C CG . GLU A 1 12 ? 0.032 -9.394 -9.444 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 15 +ATOM 22524 C CD . GLU A 1 12 ? 0.545 -10.632 -10.110 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 15 +ATOM 22525 O OE1 . GLU A 1 12 ? 1.544 -10.560 -10.869 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 15 +ATOM 22526 O OE2 . GLU A 1 12 ? -0.007 -11.711 -9.855 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 15 +ATOM 22527 H H . GLU A 1 12 ? 0.471 -6.860 -9.180 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 15 +ATOM 22528 H HA . GLU A 1 12 ? -2.064 -6.767 -10.293 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 15 +ATOM 22529 H HB2 . GLU A 1 12 ? -1.745 -9.241 -10.602 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 15 +ATOM 22530 H HB3 . GLU A 1 12 ? -0.411 -8.248 -11.181 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 15 +ATOM 22531 H HG2 . GLU A 1 12 ? 0.879 -8.771 -9.200 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 15 +ATOM 22532 H HG3 . GLU A 1 12 ? -0.476 -9.673 -8.532 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 15 +ATOM 22533 N N . ARG A 1 13 ? -2.010 -8.215 -7.286 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 15 +ATOM 22534 C CA . ARG A 1 13 ? -2.885 -8.642 -6.200 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 15 +ATOM 22535 C C . ARG A 1 13 ? -3.617 -7.456 -5.628 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 15 +ATOM 22536 O O . ARG A 1 13 ? -4.825 -7.511 -5.371 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 15 +ATOM 22537 C CB . ARG A 1 13 ? -2.130 -9.366 -5.086 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 15 +ATOM 22538 C CG . ARG A 1 13 ? -1.455 -10.648 -5.520 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 15 +ATOM 22539 C CD . ARG A 1 13 ? -0.846 -11.366 -4.333 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 15 +ATOM 22540 N NE . ARG A 1 13 ? -0.145 -12.584 -4.741 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 15 +ATOM 22541 C CZ . ARG A 1 13 ? -0.022 -13.687 -4.001 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 15 +ATOM 22542 N NH1 . ARG A 1 13 ? -0.725 -13.834 -2.883 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 15 +ATOM 22543 N NH2 . ARG A 1 13 ? 0.734 -14.682 -4.432 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 15 +ATOM 22544 H H . ARG A 1 13 ? -1.034 -8.193 -7.132 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 15 +ATOM 22545 H HA . ARG A 1 13 ? -3.606 -9.316 -6.634 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 15 +ATOM 22546 H HB2 . ARG A 1 13 ? -1.369 -8.704 -4.701 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 15 +ATOM 22547 H HB3 . ARG A 1 13 ? -2.826 -9.599 -4.293 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 15 +ATOM 22548 H HG2 . ARG A 1 13 ? -2.187 -11.295 -5.981 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 15 +ATOM 22549 H HG3 . ARG A 1 13 ? -0.677 -10.416 -6.232 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 15 +ATOM 22550 H HD2 . ARG A 1 13 ? -0.144 -10.705 -3.847 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 15 +ATOM 22551 H HD3 . ARG A 1 13 ? -1.634 -11.630 -3.641 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 15 +ATOM 22552 H HE . ARG A 1 13 ? 0.277 -12.526 -5.628 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 15 +ATOM 22553 H HH11 . ARG A 1 13 ? -1.385 -13.141 -2.552 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 15 +ATOM 22554 H HH12 . ARG A 1 13 ? -0.654 -14.642 -2.292 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 15 +ATOM 22555 H HH21 . ARG A 1 13 ? 1.224 -14.649 -5.309 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 15 +ATOM 22556 H HH22 . ARG A 1 13 ? 0.850 -15.527 -3.903 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 15 +ATOM 22557 N N . ALA A 1 14 ? -2.887 -6.371 -5.472 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 15 +ATOM 22558 C CA . ALA A 1 14 ? -3.433 -5.138 -4.950 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 15 +ATOM 22559 C C . ALA A 1 14 ? -4.514 -4.604 -5.870 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 15 +ATOM 22560 O O . ALA A 1 14 ? -5.501 -4.075 -5.414 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 15 +ATOM 22561 C CB . ALA A 1 14 ? -2.339 -4.102 -4.766 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 15 +ATOM 22562 H H . ALA A 1 14 ? -1.938 -6.414 -5.719 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 15 +ATOM 22563 H HA . ALA A 1 14 ? -3.869 -5.351 -3.985 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 15 +ATOM 22564 H HB1 . ALA A 1 14 ? -1.579 -4.492 -4.104 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 15 +ATOM 22565 H HB2 . ALA A 1 14 ? -2.761 -3.203 -4.342 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 15 +ATOM 22566 H HB3 . ALA A 1 14 ? -1.896 -3.874 -5.723 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 15 +ATOM 22567 N N . LEU A 1 15 ? -4.335 -4.795 -7.165 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 15 +ATOM 22568 C CA . LEU A 1 15 ? -5.282 -4.331 -8.155 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 15 +ATOM 22569 C C . LEU A 1 15 ? -6.586 -5.061 -8.062 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 15 +ATOM 22570 O O . LEU A 1 15 ? -7.645 -4.456 -8.225 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 15 +ATOM 22571 C CB . LEU A 1 15 ? -4.718 -4.447 -9.561 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 15 +ATOM 22572 C CG . LEU A 1 15 ? -3.690 -3.396 -9.969 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 15 +ATOM 22573 C CD1 . LEU A 1 15 ? -3.125 -3.730 -11.325 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 15 +ATOM 22574 C CD2 . LEU A 1 15 ? -4.335 -2.016 -10.007 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 15 +ATOM 22575 H H . LEU A 1 15 ? -3.530 -5.270 -7.473 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 15 +ATOM 22576 H HA . LEU A 1 15 ? -5.470 -3.289 -7.950 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 15 +ATOM 22577 H HB2 . LEU A 1 15 ? -4.254 -5.419 -9.646 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 15 +ATOM 22578 H HB3 . LEU A 1 15 ? -5.544 -4.411 -10.253 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 15 +ATOM 22579 H HG . LEU A 1 15 ? -2.883 -3.374 -9.251 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 15 +ATOM 22580 H HD11 . LEU A 1 15 ? -2.405 -2.978 -11.612 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 15 +ATOM 22581 H HD12 . LEU A 1 15 ? -3.926 -3.759 -12.050 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 15 +ATOM 22582 H HD13 . LEU A 1 15 ? -2.642 -4.694 -11.284 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 15 +ATOM 22583 H HD21 . LEU A 1 15 ? -5.166 -2.033 -10.699 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 15 +ATOM 22584 H HD22 . LEU A 1 15 ? -3.608 -1.293 -10.345 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 15 +ATOM 22585 H HD23 . LEU A 1 15 ? -4.686 -1.738 -9.025 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 15 +ATOM 22586 N N . LYS A 1 16 ? -6.522 -6.348 -7.781 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 15 +ATOM 22587 C CA . LYS A 1 16 ? -7.725 -7.145 -7.665 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 15 +ATOM 22588 C C . LYS A 1 16 ? -8.566 -6.613 -6.520 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 15 +ATOM 22589 O O . LYS A 1 16 ? -9.756 -6.333 -6.688 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 15 +ATOM 22590 C CB . LYS A 1 16 ? -7.351 -8.582 -7.334 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 15 +ATOM 22591 C CG . LYS A 1 16 ? -6.493 -9.284 -8.355 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 15 +ATOM 22592 C CD . LYS A 1 16 ? -5.882 -10.525 -7.738 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 15 +ATOM 22593 C CE . LYS A 1 16 ? -5.031 -11.306 -8.726 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 15 +ATOM 22594 N NZ . LYS A 1 16 ? -5.836 -11.968 -9.771 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 15 +ATOM 22595 H H . LYS A 1 16 ? -5.641 -6.760 -7.649 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 15 +ATOM 22596 H HA . LYS A 1 16 ? -8.271 -7.123 -8.597 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 15 +ATOM 22597 H HB2 . LYS A 1 16 ? -6.821 -8.594 -6.394 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 15 +ATOM 22598 H HB3 . LYS A 1 16 ? -8.264 -9.146 -7.218 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 15 +ATOM 22599 H HG2 . LYS A 1 16 ? -7.102 -9.562 -9.201 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 15 +ATOM 22600 H HG3 . LYS A 1 16 ? -5.702 -8.622 -8.671 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 15 +ATOM 22601 H HD2 . LYS A 1 16 ? -5.264 -10.201 -6.915 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 15 +ATOM 22602 H HD3 . LYS A 1 16 ? -6.674 -11.156 -7.360 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 15 +ATOM 22603 H HE2 . LYS A 1 16 ? -4.344 -10.622 -9.201 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 15 +ATOM 22604 H HE3 . LYS A 1 16 ? -4.470 -12.053 -8.183 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 15 +ATOM 22605 H HZ1 . LYS A 1 16 ? -6.453 -11.308 -10.286 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 15 +ATOM 22606 H HZ2 . LYS A 1 16 ? -6.432 -12.711 -9.352 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 15 +ATOM 22607 H HZ3 . LYS A 1 16 ? -5.212 -12.435 -10.460 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 15 +ATOM 22608 N N . GLU A 1 17 ? -7.909 -6.375 -5.398 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 15 +ATOM 22609 C CA . GLU A 1 17 ? -8.563 -5.877 -4.218 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 15 +ATOM 22610 C C . GLU A 1 17 ? -9.003 -4.419 -4.379 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 15 +ATOM 22611 O O . GLU A 1 17 ? -10.065 -4.043 -3.945 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 15 +ATOM 22612 C CB . GLU A 1 17 ? -7.672 -6.060 -3.012 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 15 +ATOM 22613 C CG . GLU A 1 17 ? -7.205 -7.498 -2.818 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 15 +ATOM 22614 C CD . GLU A 1 17 ? -8.342 -8.501 -2.710 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 15 +ATOM 22615 O OE1 . GLU A 1 17 ? -8.986 -8.607 -1.637 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 15 +ATOM 22616 O OE2 . GLU A 1 17 ? -8.595 -9.230 -3.681 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 15 +ATOM 22617 H H . GLU A 1 17 ? -6.948 -6.577 -5.341 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 15 +ATOM 22618 H HA . GLU A 1 17 ? -9.445 -6.484 -4.082 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 15 +ATOM 22619 H HB2 . GLU A 1 17 ? -6.800 -5.435 -3.128 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 15 +ATOM 22620 H HB3 . GLU A 1 17 ? -8.210 -5.757 -2.126 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 15 +ATOM 22621 H HG2 . GLU A 1 17 ? -6.600 -7.766 -3.672 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 15 +ATOM 22622 H HG3 . GLU A 1 17 ? -6.595 -7.545 -1.931 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 15 +ATOM 22623 N N . TRP A 1 18 ? -8.178 -3.626 -5.027 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 15 +ATOM 22624 C CA . TRP A 1 18 ? -8.448 -2.204 -5.278 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 15 +ATOM 22625 C C . TRP A 1 18 ? -9.725 -2.044 -6.117 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 15 +ATOM 22626 O O . TRP A 1 18 ? -10.572 -1.187 -5.845 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 15 +ATOM 22627 C CB . TRP A 1 18 ? -7.236 -1.600 -6.012 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 15 +ATOM 22628 C CG . TRP A 1 18 ? -7.294 -0.132 -6.283 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 15 +ATOM 22629 C CD1 . TRP A 1 18 ? -7.720 0.477 -7.427 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 15 +ATOM 22630 C CD2 . TRP A 1 18 ? -6.877 0.911 -5.403 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 15 +ATOM 22631 N NE1 . TRP A 1 18 ? -7.604 1.834 -7.304 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 15 +ATOM 22632 C CE2 . TRP A 1 18 ? -7.085 2.130 -6.073 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 15 +ATOM 22633 C CE3 . TRP A 1 18 ? -6.350 0.934 -4.110 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 15 +ATOM 22634 C CZ2 . TRP A 1 18 ? -6.783 3.358 -5.494 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 15 +ATOM 22635 C CZ3 . TRP A 1 18 ? -6.051 2.151 -3.537 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 15 +ATOM 22636 C CH2 . TRP A 1 18 ? -6.267 3.346 -4.228 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 15 +ATOM 22637 H H . TRP A 1 18 ? -7.318 -3.998 -5.330 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 15 +ATOM 22638 H HA . TRP A 1 18 ? -8.576 -1.703 -4.330 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 15 +ATOM 22639 H HB2 . TRP A 1 18 ? -6.352 -1.773 -5.417 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 15 +ATOM 22640 H HB3 . TRP A 1 18 ? -7.120 -2.113 -6.955 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 15 +ATOM 22641 H HD1 . TRP A 1 18 ? -8.096 -0.049 -8.292 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 15 +ATOM 22642 H HE1 . TRP A 1 18 ? -7.852 2.486 -7.997 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 15 +ATOM 22643 H HE3 . TRP A 1 18 ? -6.178 0.019 -3.562 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 15 +ATOM 22644 H HZ2 . TRP A 1 18 ? -6.944 4.290 -6.015 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 15 +ATOM 22645 H HZ3 . TRP A 1 18 ? -5.640 2.187 -2.539 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 15 +ATOM 22646 H HH2 . TRP A 1 18 ? -6.014 4.274 -3.737 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 15 +ATOM 22647 N N . ARG A 1 19 ? -9.854 -2.876 -7.126 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 15 +ATOM 22648 C CA . ARG A 1 19 ? -11.026 -2.875 -8.000 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 15 +ATOM 22649 C C . ARG A 1 19 ? -12.236 -3.516 -7.305 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 15 +ATOM 22650 O O . ARG A 1 19 ? -13.373 -3.310 -7.693 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 15 +ATOM 22651 C CB . ARG A 1 19 ? -10.690 -3.559 -9.316 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 15 +ATOM 22652 C CG . ARG A 1 19 ? -9.576 -2.851 -10.072 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 15 +ATOM 22653 C CD . ARG A 1 19 ? -9.132 -3.634 -11.280 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 15 +ATOM 22654 N NE . ARG A 1 19 ? -8.025 -2.975 -11.984 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 15 +ATOM 22655 C CZ . ARG A 1 19 ? -7.310 -3.520 -12.972 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 15 +ATOM 22656 N NH1 . ARG A 1 19 ? -7.541 -4.767 -13.350 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 15 +ATOM 22657 N NH2 . ARG A 1 19 ? -6.360 -2.814 -13.565 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 15 +ATOM 22658 H H . ARG A 1 19 ? -9.125 -3.517 -7.292 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 15 +ATOM 22659 H HA . ARG A 1 19 ? -11.269 -1.839 -8.194 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 15 +ATOM 22660 H HB2 . ARG A 1 19 ? -10.379 -4.573 -9.111 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 15 +ATOM 22661 H HB3 . ARG A 1 19 ? -11.572 -3.575 -9.941 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 15 +ATOM 22662 H HG2 . ARG A 1 19 ? -9.933 -1.886 -10.398 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 15 +ATOM 22663 H HG3 . ARG A 1 19 ? -8.735 -2.719 -9.407 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 15 +ATOM 22664 H HD2 . ARG A 1 19 ? -8.816 -4.617 -10.964 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 15 +ATOM 22665 H HD3 . ARG A 1 19 ? -9.972 -3.722 -11.950 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 15 +ATOM 22666 H HE . ARG A 1 19 ? -7.825 -2.055 -11.693 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 15 +ATOM 22667 H HH11 . ARG A 1 19 ? -8.249 -5.335 -12.925 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 15 +ATOM 22668 H HH12 . ARG A 1 19 ? -7.013 -5.208 -14.083 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 15 +ATOM 22669 H HH21 . ARG A 1 19 ? -6.154 -1.869 -13.295 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 15 +ATOM 22670 H HH22 . ARG A 1 19 ? -5.799 -3.177 -14.316 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 15 +ATOM 22671 N N . LYS A 1 20 ? -11.953 -4.303 -6.302 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 15 +ATOM 22672 C CA . LYS A 1 20 ? -12.948 -4.975 -5.464 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 15 +ATOM 22673 C C . LYS A 1 20 ? -13.474 -3.998 -4.391 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 15 +ATOM 22674 O O . LYS A 1 20 ? -14.585 -4.150 -3.853 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 15 +ATOM 22675 C CB . LYS A 1 20 ? -12.225 -6.162 -4.840 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 15 +ATOM 22676 C CG . LYS A 1 20 ? -12.923 -6.979 -3.788 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 15 +ATOM 22677 C CD . LYS A 1 20 ? -11.955 -8.061 -3.354 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 15 +ATOM 22678 C CE . LYS A 1 20 ? -12.435 -8.870 -2.187 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 15 +ATOM 22679 N NZ . LYS A 1 20 ? -11.421 -9.870 -1.814 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 15 +ATOM 22680 H H . LYS A 1 20 ? -11.008 -4.469 -6.094 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 15 +ATOM 22681 H HA . LYS A 1 20 ? -13.759 -5.331 -6.081 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 15 +ATOM 22682 H HB2 . LYS A 1 20 ? -11.948 -6.843 -5.630 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 15 +ATOM 22683 H HB3 . LYS A 1 20 ? -11.314 -5.772 -4.412 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 15 +ATOM 22684 H HG2 . LYS A 1 20 ? -13.179 -6.347 -2.950 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 15 +ATOM 22685 H HG3 . LYS A 1 20 ? -13.809 -7.440 -4.198 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 15 +ATOM 22686 H HD2 . LYS A 1 20 ? -11.789 -8.734 -4.181 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 15 +ATOM 22687 H HD3 . LYS A 1 20 ? -11.018 -7.591 -3.091 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 15 +ATOM 22688 H HE2 . LYS A 1 20 ? -12.605 -8.208 -1.350 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 15 +ATOM 22689 H HE3 . LYS A 1 20 ? -13.353 -9.375 -2.450 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 15 +ATOM 22690 H HZ1 . LYS A 1 20 ? -11.692 -10.376 -0.949 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 15 +ATOM 22691 H HZ2 . LYS A 1 20 ? -10.492 -9.412 -1.676 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 15 +ATOM 22692 H HZ3 . LYS A 1 20 ? -11.296 -10.570 -2.575 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 15 +ATOM 22693 N N . LEU A 1 21 ? -12.662 -3.013 -4.093 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 15 +ATOM 22694 C CA . LEU A 1 21 ? -12.994 -1.957 -3.161 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 15 +ATOM 22695 C C . LEU A 1 21 ? -13.975 -0.985 -3.772 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 15 +ATOM 22696 O O . LEU A 1 21 ? -14.083 -0.870 -5.006 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 15 +ATOM 22697 C CB . LEU A 1 21 ? -11.733 -1.186 -2.752 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 15 +ATOM 22698 C CG . LEU A 1 21 ? -11.189 -1.413 -1.344 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 15 +ATOM 22699 C CD1 . LEU A 1 21 ? -10.880 -2.877 -1.086 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 15 +ATOM 22700 C CD2 . LEU A 1 21 ? -9.957 -0.568 -1.140 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 15 +ATOM 22701 H H . LEU A 1 21 ? -11.776 -3.010 -4.513 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 15 +ATOM 22702 H HA . LEU A 1 21 ? -13.422 -2.400 -2.275 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 15 +ATOM 22703 H HB2 . LEU A 1 21 ? -10.950 -1.441 -3.451 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 15 +ATOM 22704 H HB3 . LEU A 1 21 ? -11.945 -0.133 -2.862 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 15 +ATOM 22705 H HG . LEU A 1 21 ? -11.926 -1.088 -0.626 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 15 +ATOM 22706 H HD11 . LEU A 1 21 ? -11.787 -3.454 -1.197 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 15 +ATOM 22707 H HD12 . LEU A 1 21 ? -10.500 -2.994 -0.082 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 15 +ATOM 22708 H HD13 . LEU A 1 21 ? -10.144 -3.222 -1.799 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 15 +ATOM 22709 H HD21 . LEU A 1 21 ? -9.204 -0.837 -1.866 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 15 +ATOM 22710 H HD22 . LEU A 1 21 ? -9.575 -0.727 -0.143 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 15 +ATOM 22711 H HD23 . LEU A 1 21 ? -10.226 0.471 -1.263 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 15 +ATOM 22712 N N . GLY A 1 22 ? -14.671 -0.289 -2.921 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 15 +ATOM 22713 C CA . GLY A 1 22 ? -15.580 0.720 -3.348 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 15 +ATOM 22714 C C . GLY A 1 22 ? -14.810 1.926 -3.781 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 15 +ATOM 22715 O O . GLY A 1 22 ? -13.785 2.268 -3.153 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 15 +ATOM 22716 H H . GLY A 1 22 ? -14.543 -0.457 -1.963 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 15 +ATOM 22717 H HA2 . GLY A 1 22 ? -16.157 0.341 -4.178 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 15 +ATOM 22718 H HA3 . GLY A 1 22 ? -16.239 0.993 -2.537 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 15 +ATOM 22719 N N . SER A 1 23 ? -15.272 2.571 -4.828 1.00 0.00 ? ? ? ? ? ? 20 SER A N 15 +ATOM 22720 C CA . SER A 1 23 ? -14.592 3.700 -5.416 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 15 +ATOM 22721 C C . SER A 1 23 ? -14.261 4.821 -4.409 1.00 0.00 ? ? ? ? ? ? 20 SER A C 15 +ATOM 22722 O O . SER A 1 23 ? -13.142 5.308 -4.381 1.00 0.00 ? ? ? ? ? ? 20 SER A O 15 +ATOM 22723 C CB . SER A 1 23 ? -15.374 4.182 -6.635 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 15 +ATOM 22724 O OG . SER A 1 23 ? -16.781 4.037 -6.429 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 15 +ATOM 22725 H H . SER A 1 23 ? -16.122 2.296 -5.237 1.00 0.00 ? ? ? ? ? ? 20 SER A H 15 +ATOM 22726 H HA . SER A 1 23 ? -13.645 3.318 -5.768 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 15 +ATOM 22727 H HB2 . SER A 1 23 ? -15.150 5.222 -6.817 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 15 +ATOM 22728 H HB3 . SER A 1 23 ? -15.089 3.600 -7.498 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 15 +ATOM 22729 H HG . SER A 1 23 ? -17.061 4.662 -5.744 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 15 +ATOM 22730 N N . THR A 1 24 ? -15.185 5.128 -3.532 1.00 0.00 ? ? ? ? ? ? 21 THR A N 15 +ATOM 22731 C CA . THR A 1 24 ? -14.983 6.169 -2.538 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 15 +ATOM 22732 C C . THR A 1 24 ? -13.900 5.749 -1.510 1.00 0.00 ? ? ? ? ? ? 21 THR A C 15 +ATOM 22733 O O . THR A 1 24 ? -13.018 6.559 -1.139 1.00 0.00 ? ? ? ? ? ? 21 THR A O 15 +ATOM 22734 C CB . THR A 1 24 ? -16.322 6.512 -1.828 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 15 +ATOM 22735 O OG1 . THR A 1 24 ? -17.269 6.975 -2.806 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 15 +ATOM 22736 C CG2 . THR A 1 24 ? -16.142 7.591 -0.771 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 15 +ATOM 22737 H H . THR A 1 24 ? -16.020 4.614 -3.554 1.00 0.00 ? ? ? ? ? ? 21 THR A H 15 +ATOM 22738 H HA . THR A 1 24 ? -14.633 7.046 -3.062 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 15 +ATOM 22739 H HB . THR A 1 24 ? -16.705 5.613 -1.366 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 15 +ATOM 22740 H HG1 . THR A 1 24 ? -16.964 6.678 -3.676 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 15 +ATOM 22741 H HG21 . THR A 1 24 ? -15.424 7.263 -0.035 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 15 +ATOM 22742 H HG22 . THR A 1 24 ? -17.088 7.791 -0.289 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 15 +ATOM 22743 H HG23 . THR A 1 24 ? -15.784 8.491 -1.248 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 15 +ATOM 22744 N N . VAL A 1 25 ? -13.931 4.481 -1.099 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 15 +ATOM 22745 C CA . VAL A 1 25 ? -12.979 3.961 -0.125 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 15 +ATOM 22746 C C . VAL A 1 25 ? -11.579 3.959 -0.708 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 15 +ATOM 22747 O O . VAL A 1 25 ? -10.631 4.460 -0.086 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 15 +ATOM 22748 C CB . VAL A 1 25 ? -13.361 2.531 0.336 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 15 +ATOM 22749 C CG1 . VAL A 1 25 ? -12.297 1.950 1.255 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 15 +ATOM 22750 C CG2 . VAL A 1 25 ? -14.696 2.556 1.047 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 15 +ATOM 22751 H H . VAL A 1 25 ? -14.599 3.866 -1.471 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 15 +ATOM 22752 H HA . VAL A 1 25 ? -12.990 4.618 0.732 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 15 +ATOM 22753 H HB . VAL A 1 25 ? -13.454 1.902 -0.537 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 15 +ATOM 22754 H HG11 . VAL A 1 25 ? -11.352 1.910 0.735 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 15 +ATOM 22755 H HG12 . VAL A 1 25 ? -12.584 0.953 1.557 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 15 +ATOM 22756 H HG13 . VAL A 1 25 ? -12.201 2.574 2.130 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 15 +ATOM 22757 H HG21 . VAL A 1 25 ? -14.963 1.554 1.344 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 15 +ATOM 22758 H HG22 . VAL A 1 25 ? -15.445 2.955 0.382 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 15 +ATOM 22759 H HG23 . VAL A 1 25 ? -14.622 3.183 1.923 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 15 +ATOM 22760 N N . ARG A 1 26 ? -11.456 3.461 -1.918 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 15 +ATOM 22761 C CA . ARG A 1 26 ? -10.172 3.430 -2.566 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 15 +ATOM 22762 C C . ARG A 1 26 ? -9.650 4.827 -2.850 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 15 +ATOM 22763 O O . ARG A 1 26 ? -8.468 5.043 -2.792 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 15 +ATOM 22764 C CB . ARG A 1 26 ? -10.124 2.548 -3.800 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 15 +ATOM 22765 C CG . ARG A 1 26 ? -11.139 2.870 -4.856 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 15 +ATOM 22766 C CD . ARG A 1 26 ? -10.806 2.149 -6.123 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 15 +ATOM 22767 N NE . ARG A 1 26 ? -11.775 2.420 -7.178 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 15 +ATOM 22768 C CZ . ARG A 1 26 ? -12.516 1.492 -7.801 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 15 +ATOM 22769 N NH1 . ARG A 1 26 ? -12.411 0.199 -7.474 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 15 +ATOM 22770 N NH2 . ARG A 1 26 ? -13.363 1.860 -8.751 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 15 +ATOM 22771 H H . ARG A 1 26 ? -12.254 3.103 -2.370 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 15 +ATOM 22772 H HA . ARG A 1 26 ? -9.502 3.017 -1.825 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 15 +ATOM 22773 H HB2 . ARG A 1 26 ? -9.145 2.645 -4.246 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 15 +ATOM 22774 H HB3 . ARG A 1 26 ? -10.261 1.521 -3.496 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 15 +ATOM 22775 H HG2 . ARG A 1 26 ? -12.091 2.507 -4.497 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 15 +ATOM 22776 H HG3 . ARG A 1 26 ? -11.219 3.934 -5.025 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 15 +ATOM 22777 H HD2 . ARG A 1 26 ? -9.832 2.514 -6.417 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 15 +ATOM 22778 H HD3 . ARG A 1 26 ? -10.753 1.089 -5.927 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 15 +ATOM 22779 H HE . ARG A 1 26 ? -11.850 3.374 -7.418 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 15 +ATOM 22780 H HH11 . ARG A 1 26 ? -11.784 -0.137 -6.761 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 15 +ATOM 22781 H HH12 . ARG A 1 26 ? -12.972 -0.502 -7.923 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 15 +ATOM 22782 H HH21 . ARG A 1 26 ? -13.464 2.821 -9.022 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 15 +ATOM 22783 H HH22 . ARG A 1 26 ? -13.956 1.209 -9.237 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 15 +ATOM 22784 N N . GLU A 1 27 ? -10.536 5.771 -3.171 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 15 +ATOM 22785 C CA . GLU A 1 27 ? -10.129 7.159 -3.382 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 15 +ATOM 22786 C C . GLU A 1 27 ? -9.448 7.749 -2.165 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 15 +ATOM 22787 O O . GLU A 1 27 ? -8.474 8.482 -2.292 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 15 +ATOM 22788 C CB . GLU A 1 27 ? -11.285 8.048 -3.786 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 15 +ATOM 22789 C CG . GLU A 1 27 ? -11.726 7.873 -5.211 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 15 +ATOM 22790 C CD . GLU A 1 27 ? -12.655 8.954 -5.652 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 15 +ATOM 22791 O OE1 . GLU A 1 27 ? -13.821 8.986 -5.209 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 15 +ATOM 22792 O OE2 . GLU A 1 27 ? -12.226 9.806 -6.451 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 15 +ATOM 22793 H H . GLU A 1 27 ? -11.483 5.530 -3.292 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 15 +ATOM 22794 H HA . GLU A 1 27 ? -9.409 7.150 -4.187 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 15 +ATOM 22795 H HB2 . GLU A 1 27 ? -12.118 7.774 -3.154 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 15 +ATOM 22796 H HB3 . GLU A 1 27 ? -11.046 9.080 -3.591 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 15 +ATOM 22797 H HG2 . GLU A 1 27 ? -10.857 7.883 -5.852 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 15 +ATOM 22798 H HG3 . GLU A 1 27 ? -12.231 6.923 -5.305 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 15 +ATOM 22799 N N . GLN A 1 28 ? -9.938 7.411 -0.994 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 15 +ATOM 22800 C CA . GLN A 1 28 ? -9.360 7.910 0.235 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 15 +ATOM 22801 C C . GLN A 1 28 ? -7.998 7.282 0.463 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 15 +ATOM 22802 O O . GLN A 1 28 ? -7.060 7.954 0.895 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 15 +ATOM 22803 C CB . GLN A 1 28 ? -10.306 7.657 1.383 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 15 +ATOM 22804 C CG . GLN A 1 28 ? -11.575 8.459 1.272 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 15 +ATOM 22805 C CD . GLN A 1 28 ? -12.670 7.926 2.135 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 15 +ATOM 22806 O OE1 . GLN A 1 28 ? -12.823 8.303 3.297 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 15 +ATOM 22807 N NE2 . GLN A 1 28 ? -13.458 7.069 1.560 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 15 +ATOM 22808 H H . GLN A 1 28 ? -10.697 6.789 -0.949 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 15 +ATOM 22809 H HA . GLN A 1 28 ? -9.225 8.975 0.113 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 15 +ATOM 22810 H HB2 . GLN A 1 28 ? -10.567 6.609 1.393 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 15 +ATOM 22811 H HB3 . GLN A 1 28 ? -9.818 7.917 2.311 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 15 +ATOM 22812 H HG2 . GLN A 1 28 ? -11.376 9.481 1.556 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 15 +ATOM 22813 H HG3 . GLN A 1 28 ? -11.903 8.427 0.244 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 15 +ATOM 22814 H HE21 . GLN A 1 28 ? -13.258 6.863 0.615 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 15 +ATOM 22815 H HE22 . GLN A 1 28 ? -14.196 6.660 2.060 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 15 +ATOM 22816 N N . LEU A 1 29 ? -7.884 6.007 0.133 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 15 +ATOM 22817 C CA . LEU A 1 29 ? -6.606 5.317 0.188 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 15 +ATOM 22818 C C . LEU A 1 29 ? -5.645 5.935 -0.820 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 15 +ATOM 22819 O O . LEU A 1 29 ? -4.484 6.173 -0.510 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 15 +ATOM 22820 C CB . LEU A 1 29 ? -6.779 3.816 -0.069 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 15 +ATOM 22821 C CG . LEU A 1 29 ? -7.482 3.018 1.038 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 15 +ATOM 22822 C CD1 . LEU A 1 29 ? -7.751 1.611 0.580 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 15 +ATOM 22823 C CD2 . LEU A 1 29 ? -6.629 2.993 2.300 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 15 +ATOM 22824 H H . LEU A 1 29 ? -8.690 5.520 -0.147 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 15 +ATOM 22825 H HA . LEU A 1 29 ? -6.198 5.467 1.176 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 15 +ATOM 22826 H HB2 . LEU A 1 29 ? -7.344 3.697 -0.982 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 15 +ATOM 22827 H HB3 . LEU A 1 29 ? -5.799 3.385 -0.219 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 15 +ATOM 22828 H HG . LEU A 1 29 ? -8.438 3.459 1.281 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 15 +ATOM 22829 H HD11 . LEU A 1 29 ? -8.386 1.631 -0.294 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 15 +ATOM 22830 H HD12 . LEU A 1 29 ? -8.247 1.068 1.371 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 15 +ATOM 22831 H HD13 . LEU A 1 29 ? -6.819 1.123 0.337 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 15 +ATOM 22832 H HD21 . LEU A 1 29 ? -7.133 2.419 3.064 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 15 +ATOM 22833 H HD22 . LEU A 1 29 ? -6.465 3.999 2.653 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 15 +ATOM 22834 H HD23 . LEU A 1 29 ? -5.677 2.533 2.081 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 15 +ATOM 22835 N N . LYS A 1 30 ? -6.159 6.221 -2.016 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 15 +ATOM 22836 C CA . LYS A 1 30 ? -5.409 6.890 -3.069 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 15 +ATOM 22837 C C . LYS A 1 30 ? -4.870 8.235 -2.575 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 15 +ATOM 22838 O O . LYS A 1 30 ? -3.717 8.554 -2.803 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 15 +ATOM 22839 C CB . LYS A 1 30 ? -6.325 7.144 -4.264 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 15 +ATOM 22840 C CG . LYS A 1 30 ? -5.655 7.866 -5.422 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 15 +ATOM 22841 C CD . LYS A 1 30 ? -6.672 8.460 -6.388 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 15 +ATOM 22842 C CE . LYS A 1 30 ? -7.510 9.541 -5.701 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 15 +ATOM 22843 N NZ . LYS A 1 30 ? -8.402 10.255 -6.636 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 15 +ATOM 22844 H H . LYS A 1 30 ? -7.077 5.928 -2.214 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 15 +ATOM 22845 H HA . LYS A 1 30 ? -4.594 6.257 -3.383 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 15 +ATOM 22846 H HB2 . LYS A 1 30 ? -6.704 6.198 -4.623 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 15 +ATOM 22847 H HB3 . LYS A 1 30 ? -7.153 7.742 -3.916 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 15 +ATOM 22848 H HG2 . LYS A 1 30 ? -5.053 8.666 -5.018 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 15 +ATOM 22849 H HG3 . LYS A 1 30 ? -5.022 7.169 -5.952 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 15 +ATOM 22850 H HD2 . LYS A 1 30 ? -6.146 8.898 -7.225 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 15 +ATOM 22851 H HD3 . LYS A 1 30 ? -7.327 7.676 -6.741 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 15 +ATOM 22852 H HE2 . LYS A 1 30 ? -8.129 9.087 -4.941 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 15 +ATOM 22853 H HE3 . LYS A 1 30 ? -6.832 10.246 -5.240 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 15 +ATOM 22854 H HZ1 . LYS A 1 30 ? -7.843 10.752 -7.357 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 15 +ATOM 22855 H HZ2 . LYS A 1 30 ? -8.944 10.982 -6.129 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 15 +ATOM 22856 H HZ3 . LYS A 1 30 ? -9.065 9.619 -7.121 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 15 +ATOM 22857 N N . LYS A 1 31 ? -5.714 9.001 -1.880 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 15 +ATOM 22858 C CA . LYS A 1 31 ? -5.318 10.303 -1.323 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 15 +ATOM 22859 C C . LYS A 1 31 ? -4.164 10.139 -0.372 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 15 +ATOM 22860 O O . LYS A 1 31 ? -3.208 10.922 -0.395 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 15 +ATOM 22861 C CB . LYS A 1 31 ? -6.478 10.977 -0.604 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 15 +ATOM 22862 C CG . LYS A 1 31 ? -7.592 11.429 -1.511 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 15 +ATOM 22863 C CD . LYS A 1 31 ? -8.743 11.989 -0.708 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 15 +ATOM 22864 C CE . LYS A 1 31 ? -9.822 12.524 -1.613 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 15 +ATOM 22865 N NZ . LYS A 1 31 ? -11.011 12.946 -0.850 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 15 +ATOM 22866 H H . LYS A 1 31 ? -6.634 8.679 -1.757 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 15 +ATOM 22867 H HA . LYS A 1 31 ? -5.001 10.928 -2.145 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 15 +ATOM 22868 H HB2 . LYS A 1 31 ? -6.892 10.281 0.112 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 15 +ATOM 22869 H HB3 . LYS A 1 31 ? -6.101 11.839 -0.073 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 15 +ATOM 22870 H HG2 . LYS A 1 31 ? -7.219 12.192 -2.177 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 15 +ATOM 22871 H HG3 . LYS A 1 31 ? -7.943 10.584 -2.087 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 15 +ATOM 22872 H HD2 . LYS A 1 31 ? -9.160 11.204 -0.094 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 15 +ATOM 22873 H HD3 . LYS A 1 31 ? -8.379 12.786 -0.079 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 15 +ATOM 22874 H HE2 . LYS A 1 31 ? -9.432 13.367 -2.163 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 15 +ATOM 22875 H HE3 . LYS A 1 31 ? -10.100 11.741 -2.302 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 15 +ATOM 22876 H HZ1 . LYS A 1 31 ? -11.464 12.123 -0.402 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 15 +ATOM 22877 H HZ2 . LYS A 1 31 ? -11.704 13.397 -1.475 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 15 +ATOM 22878 H HZ3 . LYS A 1 31 ? -10.762 13.626 -0.105 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 15 +ATOM 22879 N N . LYS A 1 32 ? -4.248 9.101 0.440 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 15 +ATOM 22880 C CA . LYS A 1 32 ? -3.199 8.778 1.377 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 15 +ATOM 22881 C C . LYS A 1 32 ? -1.917 8.398 0.686 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 15 +ATOM 22882 O O . LYS A 1 32 ? -0.834 8.700 1.169 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 15 +ATOM 22883 C CB . LYS A 1 32 ? -3.617 7.727 2.399 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 15 +ATOM 22884 C CG . LYS A 1 32 ? -4.188 8.307 3.687 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 15 +ATOM 22885 C CD . LYS A 1 32 ? -5.460 9.092 3.476 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 15 +ATOM 22886 C CE . LYS A 1 32 ? -5.885 9.769 4.760 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 15 +ATOM 22887 N NZ . LYS A 1 32 ? -4.928 10.824 5.164 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 15 +ATOM 22888 H H . LYS A 1 32 ? -5.052 8.538 0.395 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 15 +ATOM 22889 H HA . LYS A 1 32 ? -3.018 9.703 1.898 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 15 +ATOM 22890 H HB2 . LYS A 1 32 ? -4.362 7.087 1.952 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 15 +ATOM 22891 H HB3 . LYS A 1 32 ? -2.748 7.135 2.646 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 15 +ATOM 22892 H HG2 . LYS A 1 32 ? -4.404 7.500 4.371 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 15 +ATOM 22893 H HG3 . LYS A 1 32 ? -3.445 8.955 4.126 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 15 +ATOM 22894 H HD2 . LYS A 1 32 ? -5.287 9.846 2.722 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 15 +ATOM 22895 H HD3 . LYS A 1 32 ? -6.244 8.424 3.151 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 15 +ATOM 22896 H HE2 . LYS A 1 32 ? -6.879 10.179 4.660 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 15 +ATOM 22897 H HE3 . LYS A 1 32 ? -5.869 8.988 5.509 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 15 +ATOM 22898 H HZ1 . LYS A 1 32 ? -5.287 11.398 5.954 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 15 +ATOM 22899 H HZ2 . LYS A 1 32 ? -4.666 11.450 4.369 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 15 +ATOM 22900 H HZ3 . LYS A 1 32 ? -4.042 10.387 5.480 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 15 +ATOM 22901 N N . LEU A 1 33 ? -2.039 7.751 -0.434 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 15 +ATOM 22902 C CA . LEU A 1 33 ? -0.894 7.396 -1.225 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 15 +ATOM 22903 C C . LEU A 1 33 ? -0.266 8.650 -1.809 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 15 +ATOM 22904 O O . LEU A 1 33 ? 0.940 8.823 -1.757 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 15 +ATOM 22905 C CB . LEU A 1 33 ? -1.293 6.431 -2.332 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 15 +ATOM 22906 C CG . LEU A 1 33 ? -1.914 5.121 -1.864 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 15 +ATOM 22907 C CD1 . LEU A 1 33 ? -2.315 4.270 -3.043 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 15 +ATOM 22908 C CD2 . LEU A 1 33 ? -0.960 4.369 -0.951 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 15 +ATOM 22909 H H . LEU A 1 33 ? -2.936 7.481 -0.731 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 15 +ATOM 22910 H HA . LEU A 1 33 ? -0.184 6.912 -0.575 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 15 +ATOM 22911 H HB2 . LEU A 1 33 ? -1.999 6.935 -2.974 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 15 +ATOM 22912 H HB3 . LEU A 1 33 ? -0.407 6.198 -2.906 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 15 +ATOM 22913 H HG . LEU A 1 33 ? -2.811 5.343 -1.304 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 15 +ATOM 22914 H HD11 . LEU A 1 33 ? -1.439 4.053 -3.634 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 15 +ATOM 22915 H HD12 . LEU A 1 33 ? -3.034 4.803 -3.649 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 15 +ATOM 22916 H HD13 . LEU A 1 33 ? -2.754 3.347 -2.697 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 15 +ATOM 22917 H HD21 . LEU A 1 33 ? -1.401 3.422 -0.682 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 15 +ATOM 22918 H HD22 . LEU A 1 33 ? -0.795 4.950 -0.055 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 15 +ATOM 22919 H HD23 . LEU A 1 33 ? -0.020 4.203 -1.454 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 15 +ATOM 22920 N N . VAL A 1 34 ? -1.108 9.544 -2.313 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 15 +ATOM 22921 C CA . VAL A 1 34 ? -0.656 10.795 -2.914 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 15 +ATOM 22922 C C . VAL A 1 34 ? 0.105 11.651 -1.894 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 15 +ATOM 22923 O O . VAL A 1 34 ? 1.198 12.155 -2.186 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 15 +ATOM 22924 C CB . VAL A 1 34 ? -1.861 11.610 -3.487 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 15 +ATOM 22925 C CG1 . VAL A 1 34 ? -1.417 12.951 -4.051 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 15 +ATOM 22926 C CG2 . VAL A 1 34 ? -2.580 10.815 -4.558 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 15 +ATOM 22927 H H . VAL A 1 34 ? -2.070 9.337 -2.288 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 15 +ATOM 22928 H HA . VAL A 1 34 ? 0.010 10.551 -3.728 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 15 +ATOM 22929 H HB . VAL A 1 34 ? -2.561 11.797 -2.685 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 15 +ATOM 22930 H HG11 . VAL A 1 34 ? -0.958 13.527 -3.262 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 15 +ATOM 22931 H HG12 . VAL A 1 34 ? -2.278 13.478 -4.432 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 15 +ATOM 22932 H HG13 . VAL A 1 34 ? -0.705 12.789 -4.847 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 15 +ATOM 22933 H HG21 . VAL A 1 34 ? -2.952 9.906 -4.105 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 15 +ATOM 22934 H HG22 . VAL A 1 34 ? -1.897 10.574 -5.358 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 15 +ATOM 22935 H HG23 . VAL A 1 34 ? -3.410 11.388 -4.942 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 15 +ATOM 22936 N N . GLU A 1 35 ? -0.448 11.765 -0.693 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 15 +ATOM 22937 C CA . GLU A 1 35 ? 0.184 12.541 0.365 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 15 +ATOM 22938 C C . GLU A 1 35 ? 1.463 11.871 0.870 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 15 +ATOM 22939 O O . GLU A 1 35 ? 2.496 12.524 1.036 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 15 +ATOM 22940 C CB . GLU A 1 35 ? -0.788 12.829 1.527 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 15 +ATOM 22941 C CG . GLU A 1 35 ? -1.364 11.601 2.181 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 15 +ATOM 22942 C CD . GLU A 1 35 ? -2.281 11.901 3.336 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 15 +ATOM 22943 O OE1 . GLU A 1 35 ? -1.803 12.021 4.467 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 15 +ATOM 22944 O OE2 . GLU A 1 35 ? -3.506 12.033 3.142 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 15 +ATOM 22945 H H . GLU A 1 35 ? -1.309 11.320 -0.523 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 15 +ATOM 22946 H HA . GLU A 1 35 ? 0.468 13.481 -0.083 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 15 +ATOM 22947 H HB2 . GLU A 1 35 ? -0.276 13.394 2.292 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 15 +ATOM 22948 H HB3 . GLU A 1 35 ? -1.609 13.422 1.150 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 15 +ATOM 22949 H HG2 . GLU A 1 35 ? -1.913 11.083 1.411 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 15 +ATOM 22950 H HG3 . GLU A 1 35 ? -0.550 10.976 2.522 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 15 +ATOM 22951 N N . VAL A 1 36 ? 1.402 10.560 1.059 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 15 +ATOM 22952 C CA . VAL A 1 36 ? 2.496 9.812 1.630 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 15 +ATOM 22953 C C . VAL A 1 36 ? 3.735 9.848 0.745 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 15 +ATOM 22954 O O . VAL A 1 36 ? 4.822 9.788 1.238 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 15 +ATOM 22955 C CB . VAL A 1 36 ? 2.131 8.357 2.044 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 15 +ATOM 22956 C CG1 . VAL A 1 36 ? 2.170 7.375 0.876 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 15 +ATOM 22957 C CG2 . VAL A 1 36 ? 3.000 7.900 3.202 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 15 +ATOM 22958 H H . VAL A 1 36 ? 0.583 10.074 0.811 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 15 +ATOM 22959 H HA . VAL A 1 36 ? 2.763 10.358 2.526 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 15 +ATOM 22960 H HB . VAL A 1 36 ? 1.108 8.382 2.394 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 15 +ATOM 22961 H HG11 . VAL A 1 36 ? 1.509 7.726 0.098 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 15 +ATOM 22962 H HG12 . VAL A 1 36 ? 1.850 6.397 1.207 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 15 +ATOM 22963 H HG13 . VAL A 1 36 ? 3.177 7.315 0.490 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 15 +ATOM 22964 H HG21 . VAL A 1 36 ? 2.784 6.871 3.445 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 15 +ATOM 22965 H HG22 . VAL A 1 36 ? 2.802 8.523 4.062 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 15 +ATOM 22966 H HG23 . VAL A 1 36 ? 4.033 8.001 2.915 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 15 +ATOM 22967 N N . LEU A 1 37 ? 3.543 9.961 -0.565 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 15 +ATOM 22968 C CA . LEU A 1 37 ? 4.645 9.956 -1.536 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 15 +ATOM 22969 C C . LEU A 1 37 ? 5.718 11.001 -1.244 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 15 +ATOM 22970 O O . LEU A 1 37 ? 6.869 10.812 -1.638 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 15 +ATOM 22971 C CB . LEU A 1 37 ? 4.132 10.147 -2.966 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 15 +ATOM 22972 C CG . LEU A 1 37 ? 3.297 9.014 -3.549 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 15 +ATOM 22973 C CD1 . LEU A 1 37 ? 2.818 9.377 -4.938 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 15 +ATOM 22974 C CD2 . LEU A 1 37 ? 4.096 7.723 -3.581 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 15 +ATOM 22975 H H . LEU A 1 37 ? 2.622 10.032 -0.895 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 15 +ATOM 22976 H HA . LEU A 1 37 ? 5.109 8.985 -1.480 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 15 +ATOM 22977 H HB2 . LEU A 1 37 ? 3.533 11.045 -2.988 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 15 +ATOM 22978 H HB3 . LEU A 1 37 ? 4.988 10.298 -3.608 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 15 +ATOM 22979 H HG . LEU A 1 37 ? 2.427 8.861 -2.927 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 15 +ATOM 22980 H HD11 . LEU A 1 37 ? 2.238 8.566 -5.351 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 15 +ATOM 22981 H HD12 . LEU A 1 37 ? 3.672 9.582 -5.567 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 15 +ATOM 22982 H HD13 . LEU A 1 37 ? 2.204 10.263 -4.876 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 15 +ATOM 22983 H HD21 . LEU A 1 37 ? 3.505 6.942 -4.034 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 15 +ATOM 22984 H HD22 . LEU A 1 37 ? 4.354 7.428 -2.575 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 15 +ATOM 22985 H HD23 . LEU A 1 37 ? 4.997 7.871 -4.158 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 15 +ATOM 22986 N N . GLU A 1 38 ? 5.366 12.092 -0.563 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 15 +ATOM 22987 C CA . GLU A 1 38 ? 6.367 13.109 -0.249 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 15 +ATOM 22988 C C . GLU A 1 38 ? 7.258 12.660 0.923 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 15 +ATOM 22989 O O . GLU A 1 38 ? 8.384 13.131 1.081 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 15 +ATOM 22990 C CB . GLU A 1 38 ? 5.721 14.475 0.026 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 15 +ATOM 22991 C CG . GLU A 1 38 ? 4.813 14.513 1.236 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 15 +ATOM 22992 C CD . GLU A 1 38 ? 4.088 15.816 1.365 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 15 +ATOM 22993 O OE1 . GLU A 1 38 ? 3.004 15.969 0.767 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 15 +ATOM 22994 O OE2 . GLU A 1 38 ? 4.564 16.715 2.074 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 15 +ATOM 22995 H H . GLU A 1 38 ? 4.437 12.206 -0.258 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 15 +ATOM 22996 H HA . GLU A 1 38 ? 7.002 13.190 -1.120 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 15 +ATOM 22997 H HB2 . GLU A 1 38 ? 6.504 15.203 0.172 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 15 +ATOM 22998 H HB3 . GLU A 1 38 ? 5.144 14.760 -0.842 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 15 +ATOM 22999 H HG2 . GLU A 1 38 ? 4.082 13.722 1.152 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 15 +ATOM 23000 H HG3 . GLU A 1 38 ? 5.408 14.358 2.124 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 15 +ATOM 23001 N N . SER A 1 39 ? 6.770 11.723 1.709 1.00 0.00 ? ? ? ? ? ? 36 SER A N 15 +ATOM 23002 C CA . SER A 1 39 ? 7.505 11.198 2.835 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 15 +ATOM 23003 C C . SER A 1 39 ? 7.021 9.775 3.177 1.00 0.00 ? ? ? ? ? ? 36 SER A C 15 +ATOM 23004 O O . SER A 1 39 ? 6.331 9.574 4.166 1.00 0.00 ? ? ? ? ? ? 36 SER A O 15 +ATOM 23005 C CB . SER A 1 39 ? 7.367 12.145 4.044 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 15 +ATOM 23006 O OG . SER A 1 39 ? 5.988 12.372 4.355 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 15 +ATOM 23007 H H . SER A 1 39 ? 5.886 11.336 1.520 1.00 0.00 ? ? ? ? ? ? 36 SER A H 15 +ATOM 23008 H HA . SER A 1 39 ? 8.545 11.138 2.555 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 15 +ATOM 23009 H HB2 . SER A 1 39 ? 7.853 11.706 4.903 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 15 +ATOM 23010 H HB3 . SER A 1 39 ? 7.834 13.091 3.812 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 15 +ATOM 23011 H HG . SER A 1 39 ? 5.579 11.496 4.371 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 15 +ATOM 23012 N N . PRO A 1 40 ? 7.305 8.773 2.318 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 15 +ATOM 23013 C CA . PRO A 1 40 ? 6.842 7.404 2.549 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 15 +ATOM 23014 C C . PRO A 1 40 ? 7.709 6.659 3.545 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 15 +ATOM 23015 O O . PRO A 1 40 ? 7.353 5.602 4.020 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 15 +ATOM 23016 C CB . PRO A 1 40 ? 6.922 6.769 1.164 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 15 +ATOM 23017 C CG . PRO A 1 40 ? 8.045 7.481 0.498 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 15 +ATOM 23018 C CD . PRO A 1 40 ? 8.023 8.894 1.027 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 15 +ATOM 23019 H HA . PRO A 1 40 ? 5.824 7.379 2.905 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 15 +ATOM 23020 H HB2 . PRO A 1 40 ? 7.120 5.712 1.262 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 15 +ATOM 23021 H HB3 . PRO A 1 40 ? 5.991 6.921 0.638 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 15 +ATOM 23022 H HG2 . PRO A 1 40 ? 8.981 7.003 0.748 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 15 +ATOM 23023 H HG3 . PRO A 1 40 ? 7.898 7.480 -0.573 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 15 +ATOM 23024 H HD2 . PRO A 1 40 ? 9.025 9.271 1.171 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 15 +ATOM 23025 H HD3 . PRO A 1 40 ? 7.469 9.530 0.349 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 15 +ATOM 23026 N N . ARG A 1 41 ? 8.816 7.257 3.884 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 15 +ATOM 23027 C CA . ARG A 1 41 ? 9.789 6.676 4.793 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 15 +ATOM 23028 C C . ARG A 1 41 ? 9.511 7.024 6.263 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 15 +ATOM 23029 O O . ARG A 1 41 ? 10.427 7.245 7.039 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 15 +ATOM 23030 C CB . ARG A 1 41 ? 11.229 7.053 4.342 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 15 +ATOM 23031 C CG . ARG A 1 41 ? 11.436 8.508 3.876 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 15 +ATOM 23032 C CD . ARG A 1 41 ? 11.282 9.536 4.985 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 15 +ATOM 23033 N NE . ARG A 1 41 ? 11.366 10.904 4.463 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 15 +ATOM 23034 C CZ . ARG A 1 41 ? 11.329 12.026 5.196 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 15 +ATOM 23035 N NH1 . ARG A 1 41 ? 11.300 11.960 6.529 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 15 +ATOM 23036 N NH2 . ARG A 1 41 ? 11.360 13.211 4.588 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 15 +ATOM 23037 H H . ARG A 1 41 ? 8.961 8.144 3.496 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 15 +ATOM 23038 H HA . ARG A 1 41 ? 9.682 5.605 4.702 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 15 +ATOM 23039 H HB2 . ARG A 1 41 ? 11.899 6.879 5.170 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 15 +ATOM 23040 H HB3 . ARG A 1 41 ? 11.512 6.395 3.532 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 15 +ATOM 23041 H HG2 . ARG A 1 41 ? 12.433 8.600 3.474 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 15 +ATOM 23042 H HG3 . ARG A 1 41 ? 10.725 8.727 3.093 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 15 +ATOM 23043 H HD2 . ARG A 1 41 ? 10.325 9.398 5.465 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 15 +ATOM 23044 H HD3 . ARG A 1 41 ? 12.072 9.386 5.704 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 15 +ATOM 23045 H HE . ARG A 1 41 ? 11.437 10.969 3.481 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 15 +ATOM 23046 H HH11 . ARG A 1 41 ? 11.313 11.094 7.037 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 15 +ATOM 23047 H HH12 . ARG A 1 41 ? 11.261 12.786 7.097 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 15 +ATOM 23048 H HH21 . ARG A 1 41 ? 11.414 13.297 3.587 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 15 +ATOM 23049 H HH22 . ARG A 1 41 ? 11.346 14.083 5.085 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 15 +ATOM 23050 N N . ILE A 1 42 ? 8.245 7.041 6.636 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 15 +ATOM 23051 C CA . ILE A 1 42 ? 7.842 7.321 8.015 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 15 +ATOM 23052 C C . ILE A 1 42 ? 7.922 6.021 8.812 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 15 +ATOM 23053 O O . ILE A 1 42 ? 7.105 5.114 8.610 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 15 +ATOM 23054 C CB . ILE A 1 42 ? 6.397 7.915 8.080 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 15 +ATOM 23055 C CG1 . ILE A 1 42 ? 6.347 9.250 7.320 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 15 +ATOM 23056 C CG2 . ILE A 1 42 ? 5.945 8.110 9.532 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 15 +ATOM 23057 C CD1 . ILE A 1 42 ? 4.970 9.890 7.258 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 15 +ATOM 23058 H H . ILE A 1 42 ? 7.566 6.814 5.967 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 15 +ATOM 23059 H HA . ILE A 1 42 ? 8.545 8.027 8.428 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 15 +ATOM 23060 H HB . ILE A 1 42 ? 5.723 7.218 7.605 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 15 +ATOM 23061 H HG12 . ILE A 1 42 ? 7.006 9.954 7.804 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 15 +ATOM 23062 H HG13 . ILE A 1 42 ? 6.687 9.090 6.307 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 15 +ATOM 23063 H HG21 . ILE A 1 42 ? 5.966 7.162 10.048 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 15 +ATOM 23064 H HG22 . ILE A 1 42 ? 4.940 8.504 9.546 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 15 +ATOM 23065 H HG23 . ILE A 1 42 ? 6.612 8.805 10.021 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 15 +ATOM 23066 H HD11 . ILE A 1 42 ? 5.037 10.818 6.709 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 15 +ATOM 23067 H HD12 . ILE A 1 42 ? 4.618 10.088 8.259 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 15 +ATOM 23068 H HD13 . ILE A 1 42 ? 4.283 9.223 6.756 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 15 +ATOM 23069 N N . GLU A 1 43 ? 8.890 5.937 9.719 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 15 +ATOM 23070 C CA . GLU A 1 43 ? 9.182 4.703 10.434 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 15 +ATOM 23071 C C . GLU A 1 43 ? 8.031 4.174 11.282 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 15 +ATOM 23072 O O . GLU A 1 43 ? 7.910 2.965 11.486 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 15 +ATOM 23073 C CB . GLU A 1 43 ? 10.474 4.787 11.235 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 15 +ATOM 23074 C CG . GLU A 1 43 ? 10.541 5.906 12.244 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 15 +ATOM 23075 C CD . GLU A 1 43 ? 11.826 5.875 13.009 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 15 +ATOM 23076 O OE1 . GLU A 1 43 ? 12.851 6.393 12.500 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 15 +ATOM 23077 O OE2 . GLU A 1 43 ? 11.850 5.304 14.110 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 15 +ATOM 23078 H H . GLU A 1 43 ? 9.422 6.737 9.926 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 15 +ATOM 23079 H HA . GLU A 1 43 ? 9.348 3.993 9.642 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 15 +ATOM 23080 H HB2 . GLU A 1 43 ? 10.605 3.857 11.768 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 15 +ATOM 23081 H HB3 . GLU A 1 43 ? 11.293 4.900 10.541 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 15 +ATOM 23082 H HG2 . GLU A 1 43 ? 10.466 6.853 11.731 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 15 +ATOM 23083 H HG3 . GLU A 1 43 ? 9.720 5.801 12.938 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 15 +ATOM 23084 N N . ALA A 1 44 ? 7.167 5.054 11.729 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 15 +ATOM 23085 C CA . ALA A 1 44 ? 6.011 4.669 12.531 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 15 +ATOM 23086 C C . ALA A 1 44 ? 4.994 3.866 11.711 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 15 +ATOM 23087 O O . ALA A 1 44 ? 4.105 3.233 12.259 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 15 +ATOM 23088 C CB . ALA A 1 44 ? 5.350 5.897 13.132 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 15 +ATOM 23089 H H . ALA A 1 44 ? 7.322 6.007 11.540 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 15 +ATOM 23090 H HA . ALA A 1 44 ? 6.369 4.048 13.340 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 15 +ATOM 23091 H HB1 . ALA A 1 44 ? 4.976 6.527 12.338 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 15 +ATOM 23092 H HB2 . ALA A 1 44 ? 6.072 6.445 13.721 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 15 +ATOM 23093 H HB3 . ALA A 1 44 ? 4.530 5.590 13.763 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 15 +ATOM 23094 N N . ASN A 1 45 ? 5.131 3.890 10.400 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 15 +ATOM 23095 C CA . ASN A 1 45 ? 4.206 3.171 9.539 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 15 +ATOM 23096 C C . ASN A 1 45 ? 4.792 1.863 9.042 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 15 +ATOM 23097 O O . ASN A 1 45 ? 4.105 1.108 8.356 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 15 +ATOM 23098 C CB . ASN A 1 45 ? 3.757 4.031 8.344 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 15 +ATOM 23099 C CG . ASN A 1 45 ? 2.854 5.190 8.713 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 15 +ATOM 23100 O OD1 . ASN A 1 45 ? 2.073 5.127 9.673 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 15 +ATOM 23101 N ND2 . ASN A 1 45 ? 2.941 6.251 7.959 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 15 +ATOM 23102 H H . ASN A 1 45 ? 5.869 4.401 9.998 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 15 +ATOM 23103 H HA . ASN A 1 45 ? 3.333 2.941 10.134 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 15 +ATOM 23104 H HB2 . ASN A 1 45 ? 4.633 4.462 7.884 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 15 +ATOM 23105 H HB3 . ASN A 1 45 ? 3.244 3.407 7.628 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 15 +ATOM 23106 H HD21 . ASN A 1 45 ? 3.577 6.227 7.215 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 15 +ATOM 23107 H HD22 . ASN A 1 45 ? 2.382 7.037 8.140 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 15 +ATOM 23108 N N . LYS A 1 46 ? 6.049 1.589 9.396 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 15 +ATOM 23109 C CA . LYS A 1 46 ? 6.738 0.371 8.933 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 15 +ATOM 23110 C C . LYS A 1 46 ? 6.166 -0.866 9.604 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 15 +ATOM 23111 O O . LYS A 1 46 ? 5.709 -0.812 10.761 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 15 +ATOM 23112 C CB . LYS A 1 46 ? 8.261 0.410 9.202 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 15 +ATOM 23113 C CG . LYS A 1 46 ? 9.002 1.581 8.593 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 15 +ATOM 23114 C CD . LYS A 1 46 ? 10.505 1.523 8.886 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 15 +ATOM 23115 C CE . LYS A 1 46 ? 11.282 0.734 7.826 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 15 +ATOM 23116 N NZ . LYS A 1 46 ? 11.562 1.554 6.613 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 15 +ATOM 23117 H H . LYS A 1 46 ? 6.513 2.204 10.002 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 15 +ATOM 23118 H HA . LYS A 1 46 ? 6.577 0.292 7.867 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 15 +ATOM 23119 H HB2 . LYS A 1 46 ? 8.421 0.460 10.269 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 15 +ATOM 23120 H HB3 . LYS A 1 46 ? 8.700 -0.503 8.830 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 15 +ATOM 23121 H HG2 . LYS A 1 46 ? 8.850 1.556 7.522 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 15 +ATOM 23122 H HG3 . LYS A 1 46 ? 8.571 2.482 8.995 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 15 +ATOM 23123 H HD2 . LYS A 1 46 ? 10.896 2.529 8.918 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 15 +ATOM 23124 H HD3 . LYS A 1 46 ? 10.647 1.051 9.847 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 15 +ATOM 23125 H HE2 . LYS A 1 46 ? 12.222 0.406 8.244 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 15 +ATOM 23126 H HE3 . LYS A 1 46 ? 10.695 -0.123 7.534 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 15 +ATOM 23127 H HZ1 . LYS A 1 46 ? 10.732 2.074 6.257 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 15 +ATOM 23128 H HZ2 . LYS A 1 46 ? 11.903 0.986 5.805 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 15 +ATOM 23129 H HZ3 . LYS A 1 46 ? 12.302 2.258 6.808 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 15 +ATOM 23130 N N . LEU A 1 47 ? 6.150 -1.947 8.876 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 15 +ATOM 23131 C CA . LEU A 1 47 ? 5.754 -3.227 9.404 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 15 +ATOM 23132 C C . LEU A 1 47 ? 6.977 -3.933 9.973 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 15 +ATOM 23133 O O . LEU A 1 47 ? 8.117 -3.560 9.664 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 15 +ATOM 23134 C CB . LEU A 1 47 ? 5.129 -4.103 8.314 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 15 +ATOM 23135 C CG . LEU A 1 47 ? 3.855 -3.583 7.654 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 15 +ATOM 23136 C CD1 . LEU A 1 47 ? 3.361 -4.578 6.628 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 15 +ATOM 23137 C CD2 . LEU A 1 47 ? 2.782 -3.322 8.690 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 15 +ATOM 23138 H H . LEU A 1 47 ? 6.414 -1.877 7.931 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 15 +ATOM 23139 H HA . LEU A 1 47 ? 5.032 -3.065 10.189 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 15 +ATOM 23140 H HB2 . LEU A 1 47 ? 5.868 -4.232 7.538 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 15 +ATOM 23141 H HB3 . LEU A 1 47 ? 4.918 -5.072 8.739 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 15 +ATOM 23142 H HG . LEU A 1 47 ? 4.071 -2.657 7.144 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 15 +ATOM 23143 H HD11 . LEU A 1 47 ? 4.112 -4.716 5.865 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 15 +ATOM 23144 H HD12 . LEU A 1 47 ? 2.451 -4.209 6.181 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 15 +ATOM 23145 H HD13 . LEU A 1 47 ? 3.164 -5.524 7.111 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 15 +ATOM 23146 H HD21 . LEU A 1 47 ? 1.890 -2.978 8.189 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 15 +ATOM 23147 H HD22 . LEU A 1 47 ? 3.129 -2.566 9.377 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 15 +ATOM 23148 H HD23 . LEU A 1 47 ? 2.569 -4.234 9.227 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 15 +ATOM 23149 N N . ARG A 1 48 ? 6.744 -4.942 10.764 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 15 +ATOM 23150 C CA . ARG A 1 48 ? 7.787 -5.703 11.394 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 15 +ATOM 23151 C C . ARG A 1 48 ? 8.161 -6.884 10.524 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 15 +ATOM 23152 O O . ARG A 1 48 ? 7.282 -7.602 10.041 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 15 +ATOM 23153 C CB . ARG A 1 48 ? 7.296 -6.220 12.737 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 15 +ATOM 23154 C CG . ARG A 1 48 ? 6.964 -5.142 13.746 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 15 +ATOM 23155 C CD . ARG A 1 48 ? 6.336 -5.737 14.992 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 15 +ATOM 23156 N NE . ARG A 1 48 ? 7.219 -6.710 15.662 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 15 +ATOM 23157 C CZ . ARG A 1 48 ? 6.806 -7.856 16.234 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 15 +ATOM 23158 N NH1 . ARG A 1 48 ? 5.576 -8.309 16.023 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 15 +ATOM 23159 N NH2 . ARG A 1 48 ? 7.659 -8.582 16.938 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 15 +ATOM 23160 H H . ARG A 1 48 ? 5.820 -5.217 10.940 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 15 +ATOM 23161 H HA . ARG A 1 48 ? 8.647 -5.070 11.557 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 15 +ATOM 23162 H HB2 . ARG A 1 48 ? 6.407 -6.808 12.569 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 15 +ATOM 23163 H HB3 . ARG A 1 48 ? 8.057 -6.859 13.153 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 15 +ATOM 23164 H HG2 . ARG A 1 48 ? 7.876 -4.636 14.024 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 15 +ATOM 23165 H HG3 . ARG A 1 48 ? 6.278 -4.439 13.300 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 15 +ATOM 23166 H HD2 . ARG A 1 48 ? 6.113 -4.937 15.682 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 15 +ATOM 23167 H HD3 . ARG A 1 48 ? 5.417 -6.229 14.713 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 15 +ATOM 23168 H HE . ARG A 1 48 ? 8.163 -6.434 15.720 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 15 +ATOM 23169 H HH11 . ARG A 1 48 ? 4.921 -7.832 15.428 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 15 +ATOM 23170 H HH12 . ARG A 1 48 ? 5.232 -9.148 16.454 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 15 +ATOM 23171 H HH21 . ARG A 1 48 ? 8.613 -8.291 17.043 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 15 +ATOM 23172 H HH22 . ARG A 1 48 ? 7.403 -9.435 17.402 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 15 +ATOM 23173 N N . GLY A 1 49 ? 9.448 -7.059 10.300 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 15 +ATOM 23174 C CA . GLY A 1 49 ? 9.950 -8.202 9.557 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 15 +ATOM 23175 C C . GLY A 1 49 ? 9.600 -8.158 8.093 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 15 +ATOM 23176 O O . GLY A 1 49 ? 9.587 -9.193 7.418 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 15 +ATOM 23177 H H . GLY A 1 49 ? 10.082 -6.392 10.640 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 15 +ATOM 23178 H HA2 . GLY A 1 49 ? 11.024 -8.254 9.660 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 15 +ATOM 23179 H HA3 . GLY A 1 49 ? 9.520 -9.095 9.985 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 15 +ATOM 23180 N N . MET A 1 50 ? 9.338 -6.984 7.598 1.00 0.00 ? ? ? ? ? ? 47 MET A N 15 +ATOM 23181 C CA . MET A 1 50 ? 8.933 -6.807 6.225 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 15 +ATOM 23182 C C . MET A 1 50 ? 9.848 -5.797 5.566 1.00 0.00 ? ? ? ? ? ? 47 MET A C 15 +ATOM 23183 O O . MET A 1 50 ? 10.074 -4.727 6.125 1.00 0.00 ? ? ? ? ? ? 47 MET A O 15 +ATOM 23184 C CB . MET A 1 50 ? 7.477 -6.325 6.153 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 15 +ATOM 23185 C CG . MET A 1 50 ? 6.442 -7.302 6.713 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 15 +ATOM 23186 S SD . MET A 1 50 ? 6.328 -8.850 5.781 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 15 +ATOM 23187 C CE . MET A 1 50 ? 5.711 -8.263 4.200 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 15 +ATOM 23188 H H . MET A 1 50 ? 9.449 -6.190 8.164 1.00 0.00 ? ? ? ? ? ? 47 MET A H 15 +ATOM 23189 H HA . MET A 1 50 ? 9.017 -7.761 5.726 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 15 +ATOM 23190 H HB2 . MET A 1 50 ? 7.404 -5.405 6.713 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 15 +ATOM 23191 H HB3 . MET A 1 50 ? 7.235 -6.121 5.120 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 15 +ATOM 23192 H HG2 . MET A 1 50 ? 6.709 -7.541 7.732 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 15 +ATOM 23193 H HG3 . MET A 1 50 ? 5.475 -6.820 6.708 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 15 +ATOM 23194 H HE1 . MET A 1 50 ? 4.760 -7.772 4.349 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 15 +ATOM 23195 H HE2 . MET A 1 50 ? 5.575 -9.105 3.537 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 15 +ATOM 23196 H HE3 . MET A 1 50 ? 6.413 -7.570 3.762 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 15 +ATOM 23197 N N . PRO A 1 51 ? 10.405 -6.118 4.388 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 15 +ATOM 23198 C CA . PRO A 1 51 ? 11.325 -5.223 3.683 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 15 +ATOM 23199 C C . PRO A 1 51 ? 10.652 -3.923 3.215 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 15 +ATOM 23200 O O . PRO A 1 51 ? 9.909 -3.910 2.221 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 15 +ATOM 23201 C CB . PRO A 1 51 ? 11.817 -6.051 2.488 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 15 +ATOM 23202 C CG . PRO A 1 51 ? 10.777 -7.101 2.292 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 15 +ATOM 23203 C CD . PRO A 1 51 ? 10.187 -7.378 3.648 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 15 +ATOM 23204 H HA . PRO A 1 51 ? 12.162 -4.967 4.317 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 15 +ATOM 23205 H HB2 . PRO A 1 51 ? 11.908 -5.414 1.621 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 15 +ATOM 23206 H HB3 . PRO A 1 51 ? 12.777 -6.486 2.723 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 15 +ATOM 23207 H HG2 . PRO A 1 51 ? 10.012 -6.736 1.621 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 15 +ATOM 23208 H HG3 . PRO A 1 51 ? 11.230 -7.996 1.890 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 15 +ATOM 23209 H HD2 . PRO A 1 51 ? 9.132 -7.593 3.558 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 15 +ATOM 23210 H HD3 . PRO A 1 51 ? 10.704 -8.198 4.124 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 15 +ATOM 23211 N N . ASP A 1 52 ? 10.855 -2.859 4.011 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 15 +ATOM 23212 C CA . ASP A 1 52 ? 10.340 -1.503 3.732 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 15 +ATOM 23213 C C . ASP A 1 52 ? 8.865 -1.480 3.461 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 15 +ATOM 23214 O O . ASP A 1 52 ? 8.397 -0.755 2.578 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 15 +ATOM 23215 C CB . ASP A 1 52 ? 11.095 -0.785 2.603 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 15 +ATOM 23216 C CG . ASP A 1 52 ? 12.324 -0.064 3.084 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 15 +ATOM 23217 O OD1 . ASP A 1 52 ? 12.223 0.711 4.072 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 15 +ATOM 23218 O OD2 . ASP A 1 52 ? 13.409 -0.224 2.483 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 15 +ATOM 23219 H H . ASP A 1 52 ? 11.347 -3.018 4.844 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 15 +ATOM 23220 H HA . ASP A 1 52 ? 10.494 -0.942 4.643 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 15 +ATOM 23221 H HB2 . ASP A 1 52 ? 11.398 -1.510 1.863 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 15 +ATOM 23222 H HB3 . ASP A 1 52 ? 10.432 -0.066 2.143 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 15 +ATOM 23223 N N . CYS A 1 53 ? 8.121 -2.225 4.228 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 15 +ATOM 23224 C CA . CYS A 1 53 ? 6.713 -2.249 4.029 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 15 +ATOM 23225 C C . CYS A 1 53 ? 6.055 -1.354 5.048 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 15 +ATOM 23226 O O . CYS A 1 53 ? 6.483 -1.291 6.204 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 15 +ATOM 23227 C CB . CYS A 1 53 ? 6.187 -3.673 4.122 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 15 +ATOM 23228 S SG . CYS A 1 53 ? 6.978 -4.821 2.964 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 15 +ATOM 23229 H H . CYS A 1 53 ? 8.516 -2.747 4.958 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 15 +ATOM 23230 H HA . CYS A 1 53 ? 6.505 -1.860 3.044 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 15 +ATOM 23231 H HB2 . CYS A 1 53 ? 6.352 -4.045 5.121 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 15 +ATOM 23232 H HB3 . CYS A 1 53 ? 5.127 -3.673 3.914 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 15 +ATOM 23233 H HG . CYS A 1 53 ? 8.068 -4.229 2.487 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 15 +ATOM 23234 N N . TYR A 1 54 ? 5.046 -0.664 4.617 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 15 +ATOM 23235 C CA . TYR A 1 54 ? 4.326 0.281 5.427 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 15 +ATOM 23236 C C . TYR A 1 54 ? 2.865 0.046 5.228 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 15 +ATOM 23237 O O . TYR A 1 54 ? 2.467 -0.556 4.220 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 15 +ATOM 23238 C CB . TYR A 1 54 ? 4.630 1.727 4.995 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 15 +ATOM 23239 C CG . TYR A 1 54 ? 6.072 2.156 5.080 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 15 +ATOM 23240 C CD1 . TYR A 1 54 ? 7.006 1.750 4.141 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 15 +ATOM 23241 C CD2 . TYR A 1 54 ? 6.493 2.973 6.096 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 15 +ATOM 23242 C CE1 . TYR A 1 54 ? 8.316 2.151 4.229 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 15 +ATOM 23243 C CE2 . TYR A 1 54 ? 7.794 3.376 6.186 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 15 +ATOM 23244 C CZ . TYR A 1 54 ? 8.700 2.963 5.256 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 15 +ATOM 23245 O OH . TYR A 1 54 ? 10.003 3.357 5.367 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 15 +ATOM 23246 H H . TYR A 1 54 ? 4.750 -0.793 3.685 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 15 +ATOM 23247 H HA . TYR A 1 54 ? 4.595 0.156 6.464 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 15 +ATOM 23248 H HB2 . TYR A 1 54 ? 4.313 1.867 3.973 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 15 +ATOM 23249 H HB3 . TYR A 1 54 ? 4.053 2.388 5.626 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 15 +ATOM 23250 H HD1 . TYR A 1 54 ? 6.695 1.107 3.331 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 15 +ATOM 23251 H HD2 . TYR A 1 54 ? 5.780 3.296 6.838 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 15 +ATOM 23252 H HE1 . TYR A 1 54 ? 9.033 1.821 3.491 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 15 +ATOM 23253 H HE2 . TYR A 1 54 ? 8.101 4.020 6.997 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 15 +ATOM 23254 H HH . TYR A 1 54 ? 10.317 3.641 4.497 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 15 +ATOM 23255 N N . LYS A 1 55 ? 2.066 0.501 6.153 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 15 +ATOM 23256 C CA . LYS A 1 55 ? 0.646 0.367 6.018 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 15 +ATOM 23257 C C . LYS A 1 55 ? -0.032 1.680 6.370 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 15 +ATOM 23258 O O . LYS A 1 55 ? 0.399 2.387 7.293 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 15 +ATOM 23259 C CB . LYS A 1 55 ? 0.074 -0.805 6.886 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 15 +ATOM 23260 C CG . LYS A 1 55 ? -0.159 -0.531 8.395 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 15 +ATOM 23261 C CD . LYS A 1 55 ? 1.099 -0.110 9.149 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 15 +ATOM 23262 C CE . LYS A 1 55 ? 0.816 0.104 10.629 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 15 +ATOM 23263 N NZ . LYS A 1 55 ? -0.243 1.113 10.873 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 15 +ATOM 23264 H H . LYS A 1 55 ? 2.444 0.946 6.942 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 15 +ATOM 23265 H HA . LYS A 1 55 ? 0.442 0.157 4.978 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 15 +ATOM 23266 H HB2 . LYS A 1 55 ? -0.877 -1.101 6.468 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 15 +ATOM 23267 H HB3 . LYS A 1 55 ? 0.751 -1.642 6.798 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 15 +ATOM 23268 H HG2 . LYS A 1 55 ? -0.889 0.259 8.491 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 15 +ATOM 23269 H HG3 . LYS A 1 55 ? -0.554 -1.429 8.846 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 15 +ATOM 23270 H HD2 . LYS A 1 55 ? 1.852 -0.877 9.043 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 15 +ATOM 23271 H HD3 . LYS A 1 55 ? 1.465 0.813 8.724 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 15 +ATOM 23272 H HE2 . LYS A 1 55 ? 0.505 -0.834 11.062 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 15 +ATOM 23273 H HE3 . LYS A 1 55 ? 1.728 0.431 11.105 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 15 +ATOM 23274 H HZ1 . LYS A 1 55 ? -0.369 1.226 11.900 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 15 +ATOM 23275 H HZ2 . LYS A 1 55 ? -1.163 0.797 10.512 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 15 +ATOM 23276 H HZ3 . LYS A 1 55 ? 0.001 2.046 10.488 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 15 +ATOM 23277 N N . ILE A 1 56 ? -1.042 2.022 5.634 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 15 +ATOM 23278 C CA . ILE A 1 56 ? -1.852 3.177 5.942 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 15 +ATOM 23279 C C . ILE A 1 56 ? -3.249 2.672 6.165 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 15 +ATOM 23280 O O . ILE A 1 56 ? -3.663 1.703 5.528 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 15 +ATOM 23281 C CB . ILE A 1 56 ? -1.867 4.259 4.811 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 15 +ATOM 23282 C CG1 . ILE A 1 56 ? -0.436 4.691 4.462 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 15 +ATOM 23283 C CG2 . ILE A 1 56 ? -2.695 5.488 5.259 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 15 +ATOM 23284 C CD1 . ILE A 1 56 ? -0.354 5.716 3.349 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 15 +ATOM 23285 H H . ILE A 1 56 ? -1.272 1.463 4.857 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 15 +ATOM 23286 H HA . ILE A 1 56 ? -1.484 3.608 6.862 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 15 +ATOM 23287 H HB . ILE A 1 56 ? -2.338 3.833 3.937 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 15 +ATOM 23288 H HG12 . ILE A 1 56 ? 0.023 5.124 5.337 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 15 +ATOM 23289 H HG13 . ILE A 1 56 ? 0.129 3.822 4.157 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 15 +ATOM 23290 H HG21 . ILE A 1 56 ? -3.715 5.202 5.476 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 15 +ATOM 23291 H HG22 . ILE A 1 56 ? -2.709 6.242 4.486 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 15 +ATOM 23292 H HG23 . ILE A 1 56 ? -2.262 5.916 6.150 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 15 +ATOM 23293 H HD11 . ILE A 1 56 ? -0.873 6.613 3.651 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 15 +ATOM 23294 H HD12 . ILE A 1 56 ? -0.818 5.318 2.457 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 15 +ATOM 23295 H HD13 . ILE A 1 56 ? 0.680 5.949 3.147 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 15 +ATOM 23296 N N . LYS A 1 57 ? -3.944 3.265 7.074 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 15 +ATOM 23297 C CA . LYS A 1 57 ? -5.275 2.860 7.367 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 15 +ATOM 23298 C C . LYS A 1 57 ? -6.238 4.024 7.310 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 15 +ATOM 23299 O O . LYS A 1 57 ? -5.895 5.152 7.687 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 15 +ATOM 23300 C CB . LYS A 1 57 ? -5.338 2.076 8.707 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 15 +ATOM 23301 C CG . LYS A 1 57 ? -4.465 2.624 9.863 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 15 +ATOM 23302 C CD . LYS A 1 57 ? -4.892 3.996 10.384 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 15 +ATOM 23303 C CE . LYS A 1 57 ? -6.242 3.962 11.093 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 15 +ATOM 23304 N NZ . LYS A 1 57 ? -6.210 3.128 12.317 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 15 +ATOM 23305 H H . LYS A 1 57 ? -3.571 4.028 7.562 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 15 +ATOM 23306 H HA . LYS A 1 57 ? -5.558 2.181 6.576 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 15 +ATOM 23307 H HB2 . LYS A 1 57 ? -6.363 2.049 9.046 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 15 +ATOM 23308 H HB3 . LYS A 1 57 ? -5.020 1.064 8.511 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 15 +ATOM 23309 H HG2 . LYS A 1 57 ? -4.519 1.924 10.681 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 15 +ATOM 23310 H HG3 . LYS A 1 57 ? -3.442 2.676 9.518 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 15 +ATOM 23311 H HD2 . LYS A 1 57 ? -4.147 4.354 11.077 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 15 +ATOM 23312 H HD3 . LYS A 1 57 ? -4.954 4.670 9.541 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 15 +ATOM 23313 H HE2 . LYS A 1 57 ? -6.508 4.975 11.356 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 15 +ATOM 23314 H HE3 . LYS A 1 57 ? -6.978 3.569 10.406 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 15 +ATOM 23315 H HZ1 . LYS A 1 57 ? -5.992 2.135 12.094 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 15 +ATOM 23316 H HZ2 . LYS A 1 57 ? -7.130 3.151 12.800 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 15 +ATOM 23317 H HZ3 . LYS A 1 57 ? -5.483 3.479 12.972 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 15 +ATOM 23318 N N . LEU A 1 58 ? -7.397 3.774 6.775 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 15 +ATOM 23319 C CA . LEU A 1 58 ? -8.438 4.742 6.744 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 15 +ATOM 23320 C C . LEU A 1 58 ? -9.203 4.681 8.018 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 15 +ATOM 23321 O O . LEU A 1 58 ? -9.847 3.674 8.306 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 15 +ATOM 23322 C CB . LEU A 1 58 ? -9.411 4.506 5.592 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 15 +ATOM 23323 C CG . LEU A 1 58 ? -8.945 4.832 4.186 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 15 +ATOM 23324 C CD1 . LEU A 1 58 ? -10.074 4.590 3.209 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 15 +ATOM 23325 C CD2 . LEU A 1 58 ? -8.458 6.269 4.104 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 15 +ATOM 23326 H H . LEU A 1 58 ? -7.570 2.888 6.381 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 15 +ATOM 23327 H HA . LEU A 1 58 ? -8.001 5.723 6.634 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 15 +ATOM 23328 H HB2 . LEU A 1 58 ? -9.685 3.461 5.610 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 15 +ATOM 23329 H HB3 . LEU A 1 58 ? -10.296 5.082 5.804 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 15 +ATOM 23330 H HG . LEU A 1 58 ? -8.142 4.179 3.887 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 15 +ATOM 23331 H HD11 . LEU A 1 58 ? -9.744 4.836 2.211 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 15 +ATOM 23332 H HD12 . LEU A 1 58 ? -10.918 5.209 3.477 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 15 +ATOM 23333 H HD13 . LEU A 1 58 ? -10.364 3.551 3.247 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 15 +ATOM 23334 H HD21 . LEU A 1 58 ? -7.600 6.401 4.744 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 15 +ATOM 23335 H HD22 . LEU A 1 58 ? -9.250 6.929 4.427 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 15 +ATOM 23336 H HD23 . LEU A 1 58 ? -8.188 6.498 3.083 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 15 +ATOM 23337 N N . ARG A 1 59 ? -9.148 5.741 8.767 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 15 +ATOM 23338 C CA . ARG A 1 59 ? -9.903 5.861 10.000 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 15 +ATOM 23339 C C . ARG A 1 59 ? -11.391 5.892 9.649 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 15 +ATOM 23340 O O . ARG A 1 59 ? -12.239 5.434 10.402 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 15 +ATOM 23341 C CB . ARG A 1 59 ? -9.515 7.160 10.695 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 15 +ATOM 23342 C CG . ARG A 1 59 ? -10.187 7.398 12.033 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 15 +ATOM 23343 C CD . ARG A 1 59 ? -9.896 8.800 12.520 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 15 +ATOM 23344 N NE . ARG A 1 59 ? -10.455 9.806 11.609 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 15 +ATOM 23345 C CZ . ARG A 1 59 ? -9.849 10.939 11.230 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 15 +ATOM 23346 N NH1 . ARG A 1 59 ? -8.586 11.193 11.593 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 15 +ATOM 23347 N NH2 . ARG A 1 59 ? -10.500 11.797 10.465 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 15 +ATOM 23348 H H . ARG A 1 59 ? -8.571 6.483 8.478 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 15 +ATOM 23349 H HA . ARG A 1 59 ? -9.685 5.021 10.643 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 15 +ATOM 23350 H HB2 . ARG A 1 59 ? -8.446 7.161 10.853 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 15 +ATOM 23351 H HB3 . ARG A 1 59 ? -9.764 7.985 10.043 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 15 +ATOM 23352 H HG2 . ARG A 1 59 ? -11.253 7.276 11.915 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 15 +ATOM 23353 H HG3 . ARG A 1 59 ? -9.812 6.687 12.754 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 15 +ATOM 23354 H HD2 . ARG A 1 59 ? -10.327 8.931 13.502 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 15 +ATOM 23355 H HD3 . ARG A 1 59 ? -8.826 8.934 12.572 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 15 +ATOM 23356 H HE . ARG A 1 59 ? -11.371 9.607 11.299 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 15 +ATOM 23357 H HH11 . ARG A 1 59 ? -8.042 10.565 12.153 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 15 +ATOM 23358 H HH12 . ARG A 1 59 ? -8.116 12.040 11.328 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 15 +ATOM 23359 H HH21 . ARG A 1 59 ? -11.439 11.635 10.150 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 15 +ATOM 23360 H HH22 . ARG A 1 59 ? -10.093 12.671 10.181 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 15 +ATOM 23361 N N . SER A 1 60 ? -11.664 6.422 8.487 1.00 0.00 ? ? ? ? ? ? 57 SER A N 15 +ATOM 23362 C CA . SER A 1 60 ? -12.979 6.573 7.962 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 15 +ATOM 23363 C C . SER A 1 60 ? -13.642 5.205 7.659 1.00 0.00 ? ? ? ? ? ? 57 SER A C 15 +ATOM 23364 O O . SER A 1 60 ? -14.619 4.808 8.312 1.00 0.00 ? ? ? ? ? ? 57 SER A O 15 +ATOM 23365 C CB . SER A 1 60 ? -12.831 7.374 6.686 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 15 +ATOM 23366 O OG . SER A 1 60 ? -11.803 8.343 6.862 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 15 +ATOM 23367 H H . SER A 1 60 ? -10.938 6.792 7.939 1.00 0.00 ? ? ? ? ? ? 57 SER A H 15 +ATOM 23368 H HA . SER A 1 60 ? -13.580 7.148 8.648 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 15 +ATOM 23369 H HB2 . SER A 1 60 ? -12.561 6.713 5.875 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 15 +ATOM 23370 H HB3 . SER A 1 60 ? -13.756 7.882 6.457 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 15 +ATOM 23371 H HG . SER A 1 60 ? -12.212 9.214 6.917 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 15 +ATOM 23372 N N . SER A 1 61 ? -13.078 4.483 6.706 1.00 0.00 ? ? ? ? ? ? 58 SER A N 15 +ATOM 23373 C CA . SER A 1 61 ? -13.669 3.257 6.213 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 15 +ATOM 23374 C C . SER A 1 61 ? -13.211 2.003 6.980 1.00 0.00 ? ? ? ? ? ? 58 SER A C 15 +ATOM 23375 O O . SER A 1 61 ? -13.899 0.986 6.964 1.00 0.00 ? ? ? ? ? ? 58 SER A O 15 +ATOM 23376 C CB . SER A 1 61 ? -13.325 3.133 4.739 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 15 +ATOM 23377 O OG . SER A 1 61 ? -13.589 4.359 4.071 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 15 +ATOM 23378 H H . SER A 1 61 ? -12.255 4.798 6.284 1.00 0.00 ? ? ? ? ? ? 58 SER A H 15 +ATOM 23379 H HA . SER A 1 61 ? -14.741 3.336 6.293 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 15 +ATOM 23380 H HB2 . SER A 1 61 ? -12.276 2.897 4.631 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 15 +ATOM 23381 H HB3 . SER A 1 61 ? -13.924 2.356 4.289 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 15 +ATOM 23382 H HG . SER A 1 61 ? -14.525 4.561 4.196 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 15 +ATOM 23383 N N . GLY A 1 62 ? -12.064 2.073 7.636 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 15 +ATOM 23384 C CA . GLY A 1 62 ? -11.556 0.911 8.349 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 15 +ATOM 23385 C C . GLY A 1 62 ? -10.730 0.003 7.451 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 15 +ATOM 23386 O O . GLY A 1 62 ? -10.440 -1.149 7.804 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 15 +ATOM 23387 H H . GLY A 1 62 ? -11.548 2.907 7.678 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 15 +ATOM 23388 H HA2 . GLY A 1 62 ? -10.941 1.246 9.172 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 15 +ATOM 23389 H HA3 . GLY A 1 62 ? -12.392 0.347 8.736 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 15 +ATOM 23390 N N . TYR A 1 63 ? -10.348 0.522 6.301 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 15 +ATOM 23391 C CA . TYR A 1 63 ? -9.560 -0.224 5.333 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 15 +ATOM 23392 C C . TYR A 1 63 ? -8.101 0.098 5.486 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 15 +ATOM 23393 O O . TYR A 1 63 ? -7.742 1.231 5.814 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 15 +ATOM 23394 C CB . TYR A 1 63 ? -10.028 0.054 3.898 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 15 +ATOM 23395 C CG . TYR A 1 63 ? -11.320 -0.639 3.528 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 15 +ATOM 23396 C CD1 . TYR A 1 63 ? -12.532 -0.240 4.066 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 15 +ATOM 23397 C CD2 . TYR A 1 63 ? -11.321 -1.708 2.644 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 15 +ATOM 23398 C CE1 . TYR A 1 63 ? -13.704 -0.880 3.737 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 15 +ATOM 23399 C CE2 . TYR A 1 63 ? -12.489 -2.358 2.311 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 15 +ATOM 23400 C CZ . TYR A 1 63 ? -13.677 -1.938 2.859 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 15 +ATOM 23401 O OH . TYR A 1 63 ? -14.849 -2.588 2.538 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 15 +ATOM 23402 H H . TYR A 1 63 ? -10.577 1.452 6.107 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 15 +ATOM 23403 H HA . TYR A 1 63 ? -9.702 -1.273 5.547 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 15 +ATOM 23404 H HB2 . TYR A 1 63 ? -10.179 1.116 3.778 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 15 +ATOM 23405 H HB3 . TYR A 1 63 ? -9.263 -0.271 3.209 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 15 +ATOM 23406 H HD1 . TYR A 1 63 ? -12.549 0.591 4.756 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 15 +ATOM 23407 H HD2 . TYR A 1 63 ? -10.386 -2.032 2.212 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 15 +ATOM 23408 H HE1 . TYR A 1 63 ? -14.638 -0.549 4.166 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 15 +ATOM 23409 H HE2 . TYR A 1 63 ? -12.469 -3.189 1.622 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 15 +ATOM 23410 H HH . TYR A 1 63 ? -15.484 -1.901 2.295 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 15 +ATOM 23411 N N . ARG A 1 64 ? -7.271 -0.886 5.273 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 15 +ATOM 23412 C CA . ARG A 1 64 ? -5.855 -0.754 5.435 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 15 +ATOM 23413 C C . ARG A 1 64 ? -5.170 -1.103 4.122 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 15 +ATOM 23414 O O . ARG A 1 64 ? -5.658 -1.941 3.360 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 15 +ATOM 23415 C CB . ARG A 1 64 ? -5.393 -1.701 6.533 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 15 +ATOM 23416 C CG . ARG A 1 64 ? -6.240 -1.614 7.794 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 15 +ATOM 23417 C CD . ARG A 1 64 ? -5.743 -2.553 8.845 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 15 +ATOM 23418 N NE . ARG A 1 64 ? -6.628 -2.599 10.017 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 15 +ATOM 23419 C CZ . ARG A 1 64 ? -6.320 -3.151 11.202 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 15 +ATOM 23420 N NH1 . ARG A 1 64 ? -5.083 -3.573 11.447 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 15 +ATOM 23421 N NH2 . ARG A 1 64 ? -7.244 -3.242 12.148 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 15 +ATOM 23422 H H . ARG A 1 64 ? -7.606 -1.762 4.973 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 15 +ATOM 23423 H HA . ARG A 1 64 ? -5.621 0.260 5.718 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 15 +ATOM 23424 H HB2 . ARG A 1 64 ? -5.437 -2.713 6.161 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 15 +ATOM 23425 H HB3 . ARG A 1 64 ? -4.372 -1.464 6.793 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 15 +ATOM 23426 H HG2 . ARG A 1 64 ? -6.210 -0.607 8.180 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 15 +ATOM 23427 H HG3 . ARG A 1 64 ? -7.258 -1.873 7.544 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 15 +ATOM 23428 H HD2 . ARG A 1 64 ? -5.661 -3.536 8.407 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 15 +ATOM 23429 H HD3 . ARG A 1 64 ? -4.770 -2.198 9.137 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 15 +ATOM 23430 H HE . ARG A 1 64 ? -7.524 -2.222 9.860 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 15 +ATOM 23431 H HH11 . ARG A 1 64 ? -4.354 -3.485 10.762 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 15 +ATOM 23432 H HH12 . ARG A 1 64 ? -4.823 -3.998 12.320 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 15 +ATOM 23433 H HH21 . ARG A 1 64 ? -8.177 -2.905 12.000 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 15 +ATOM 23434 H HH22 . ARG A 1 64 ? -7.063 -3.638 13.051 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 15 +ATOM 23435 N N . LEU A 1 65 ? -4.071 -0.467 3.854 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 15 +ATOM 23436 C CA . LEU A 1 65 ? -3.326 -0.691 2.640 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 15 +ATOM 23437 C C . LEU A 1 65 ? -1.856 -0.897 2.996 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 15 +ATOM 23438 O O . LEU A 1 65 ? -1.312 -0.150 3.801 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 15 +ATOM 23439 C CB . LEU A 1 65 ? -3.557 0.521 1.695 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 15 +ATOM 23440 C CG . LEU A 1 65 ? -2.936 0.491 0.284 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 15 +ATOM 23441 C CD1 . LEU A 1 65 ? -3.627 1.509 -0.599 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 15 +ATOM 23442 C CD2 . LEU A 1 65 ? -1.461 0.822 0.334 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 15 +ATOM 23443 H H . LEU A 1 65 ? -3.735 0.202 4.492 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 15 +ATOM 23444 H HA . LEU A 1 65 ? -3.706 -1.587 2.174 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 15 +ATOM 23445 H HB2 . LEU A 1 65 ? -4.623 0.639 1.575 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 15 +ATOM 23446 H HB3 . LEU A 1 65 ? -3.186 1.399 2.202 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 15 +ATOM 23447 H HG . LEU A 1 65 ? -3.059 -0.487 -0.154 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 15 +ATOM 23448 H HD11 . LEU A 1 65 ? -4.680 1.272 -0.659 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 15 +ATOM 23449 H HD12 . LEU A 1 65 ? -3.196 1.469 -1.588 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 15 +ATOM 23450 H HD13 . LEU A 1 65 ? -3.500 2.496 -0.179 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 15 +ATOM 23451 H HD21 . LEU A 1 65 ? -0.943 0.061 0.897 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 15 +ATOM 23452 H HD22 . LEU A 1 65 ? -1.337 1.772 0.831 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 15 +ATOM 23453 H HD23 . LEU A 1 65 ? -1.064 0.874 -0.669 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 15 +ATOM 23454 N N . VAL A 1 66 ? -1.235 -1.910 2.403 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 15 +ATOM 23455 C CA . VAL A 1 66 ? 0.158 -2.266 2.676 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 15 +ATOM 23456 C C . VAL A 1 66 ? 0.997 -2.155 1.393 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 15 +ATOM 23457 O O . VAL A 1 66 ? 0.646 -2.729 0.341 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 15 +ATOM 23458 C CB . VAL A 1 66 ? 0.272 -3.719 3.241 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 15 +ATOM 23459 C CG1 . VAL A 1 66 ? 1.725 -4.104 3.495 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 15 +ATOM 23460 C CG2 . VAL A 1 66 ? -0.543 -3.870 4.520 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 15 +ATOM 23461 H H . VAL A 1 66 ? -1.708 -2.442 1.723 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 15 +ATOM 23462 H HA . VAL A 1 66 ? 0.545 -1.575 3.411 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 15 +ATOM 23463 H HB . VAL A 1 66 ? -0.129 -4.396 2.500 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 15 +ATOM 23464 H HG11 . VAL A 1 66 ? 2.152 -3.417 4.211 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 15 +ATOM 23465 H HG12 . VAL A 1 66 ? 2.283 -4.054 2.572 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 15 +ATOM 23466 H HG13 . VAL A 1 66 ? 1.771 -5.108 3.893 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 15 +ATOM 23467 H HG21 . VAL A 1 66 ? -0.441 -4.878 4.895 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 15 +ATOM 23468 H HG22 . VAL A 1 66 ? -1.582 -3.662 4.314 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 15 +ATOM 23469 H HG23 . VAL A 1 66 ? -0.180 -3.172 5.260 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 15 +ATOM 23470 N N . TYR A 1 67 ? 2.092 -1.445 1.481 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 15 +ATOM 23471 C CA . TYR A 1 67 ? 2.965 -1.232 0.346 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 15 +ATOM 23472 C C . TYR A 1 67 ? 4.420 -1.334 0.754 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 15 +ATOM 23473 O O . TYR A 1 67 ? 4.738 -1.195 1.933 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 15 +ATOM 23474 C CB . TYR A 1 67 ? 2.691 0.136 -0.318 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 15 +ATOM 23475 C CG . TYR A 1 67 ? 2.812 1.362 0.583 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 15 +ATOM 23476 C CD1 . TYR A 1 67 ? 4.038 1.782 1.088 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 15 +ATOM 23477 C CD2 . TYR A 1 67 ? 1.699 2.106 0.903 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 15 +ATOM 23478 C CE1 . TYR A 1 67 ? 4.138 2.895 1.880 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 15 +ATOM 23479 C CE2 . TYR A 1 67 ? 1.790 3.222 1.695 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 15 +ATOM 23480 C CZ . TYR A 1 67 ? 3.015 3.613 2.183 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 15 +ATOM 23481 O OH . TYR A 1 67 ? 3.115 4.720 2.982 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 15 +ATOM 23482 H H . TYR A 1 67 ? 2.341 -1.061 2.353 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 15 +ATOM 23483 H HA . TYR A 1 67 ? 2.760 -2.008 -0.375 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 15 +ATOM 23484 H HB2 . TYR A 1 67 ? 3.372 0.277 -1.143 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 15 +ATOM 23485 H HB3 . TYR A 1 67 ? 1.682 0.119 -0.703 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 15 +ATOM 23486 H HD1 . TYR A 1 67 ? 4.922 1.212 0.848 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 15 +ATOM 23487 H HD2 . TYR A 1 67 ? 0.737 1.797 0.522 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 15 +ATOM 23488 H HE1 . TYR A 1 67 ? 5.101 3.201 2.261 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 15 +ATOM 23489 H HE2 . TYR A 1 67 ? 0.895 3.783 1.918 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 15 +ATOM 23490 H HH . TYR A 1 67 ? 3.895 5.216 2.722 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 15 +ATOM 23491 N N . GLN A 1 68 ? 5.282 -1.589 -0.199 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 15 +ATOM 23492 C CA . GLN A 1 68 ? 6.704 -1.587 0.047 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 15 +ATOM 23493 C C . GLN A 1 68 ? 7.319 -0.408 -0.693 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 15 +ATOM 23494 O O . GLN A 1 68 ? 6.927 -0.097 -1.825 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 15 +ATOM 23495 C CB . GLN A 1 68 ? 7.379 -2.915 -0.365 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 15 +ATOM 23496 C CG . GLN A 1 68 ? 7.336 -3.238 -1.857 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 15 +ATOM 23497 C CD . GLN A 1 68 ? 8.062 -4.526 -2.197 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 15 +ATOM 23498 O OE1 . GLN A 1 68 ? 7.479 -5.608 -2.214 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 15 +ATOM 23499 N NE2 . GLN A 1 68 ? 9.342 -4.432 -2.451 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 15 +ATOM 23500 H H . GLN A 1 68 ? 4.960 -1.760 -1.113 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 15 +ATOM 23501 H HA . GLN A 1 68 ? 6.844 -1.418 1.104 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 15 +ATOM 23502 H HB2 . GLN A 1 68 ? 8.417 -2.877 -0.070 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 15 +ATOM 23503 H HB3 . GLN A 1 68 ? 6.900 -3.721 0.170 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 15 +ATOM 23504 H HG2 . GLN A 1 68 ? 6.305 -3.331 -2.164 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 15 +ATOM 23505 H HG3 . GLN A 1 68 ? 7.798 -2.427 -2.400 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 15 +ATOM 23506 H HE21 . GLN A 1 68 ? 9.786 -3.558 -2.416 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 15 +ATOM 23507 H HE22 . GLN A 1 68 ? 9.838 -5.249 -2.662 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 15 +ATOM 23508 N N . VAL A 1 69 ? 8.215 0.277 -0.059 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 15 +ATOM 23509 C CA . VAL A 1 69 ? 8.855 1.412 -0.679 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 15 +ATOM 23510 C C . VAL A 1 69 ? 10.183 0.994 -1.269 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 15 +ATOM 23511 O O . VAL A 1 69 ? 11.112 0.624 -0.543 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 15 +ATOM 23512 C CB . VAL A 1 69 ? 9.069 2.585 0.314 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 15 +ATOM 23513 C CG1 . VAL A 1 69 ? 9.773 3.764 -0.364 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 15 +ATOM 23514 C CG2 . VAL A 1 69 ? 7.743 3.036 0.895 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 15 +ATOM 23515 H H . VAL A 1 69 ? 8.462 0.005 0.854 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 15 +ATOM 23516 H HA . VAL A 1 69 ? 8.214 1.748 -1.482 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 15 +ATOM 23517 H HB . VAL A 1 69 ? 9.694 2.232 1.121 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 15 +ATOM 23518 H HG11 . VAL A 1 69 ? 9.171 4.117 -1.189 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 15 +ATOM 23519 H HG12 . VAL A 1 69 ? 10.736 3.443 -0.734 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 15 +ATOM 23520 H HG13 . VAL A 1 69 ? 9.910 4.561 0.351 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 15 +ATOM 23521 H HG21 . VAL A 1 69 ? 7.102 3.398 0.106 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 15 +ATOM 23522 H HG22 . VAL A 1 69 ? 7.918 3.819 1.617 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 15 +ATOM 23523 H HG23 . VAL A 1 69 ? 7.270 2.199 1.386 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 15 +ATOM 23524 N N . ILE A 1 70 ? 10.277 1.023 -2.567 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 15 +ATOM 23525 C CA . ILE A 1 70 ? 11.503 0.696 -3.213 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 15 +ATOM 23526 C C . ILE A 1 70 ? 12.213 2.005 -3.479 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 15 +ATOM 23527 O O . ILE A 1 70 ? 11.941 2.682 -4.482 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 15 +ATOM 23528 C CB . ILE A 1 70 ? 11.278 -0.037 -4.562 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 15 +ATOM 23529 C CG1 . ILE A 1 70 ? 10.251 -1.171 -4.399 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 15 +ATOM 23530 C CG2 . ILE A 1 70 ? 12.609 -0.601 -5.066 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 15 +ATOM 23531 C CD1 . ILE A 1 70 ? 9.869 -1.851 -5.700 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 15 +ATOM 23532 H H . ILE A 1 70 ? 9.510 1.298 -3.120 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 15 +ATOM 23533 H HA . ILE A 1 70 ? 12.096 0.081 -2.553 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 15 +ATOM 23534 H HB . ILE A 1 70 ? 10.912 0.678 -5.284 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 15 +ATOM 23535 H HG12 . ILE A 1 70 ? 10.659 -1.925 -3.741 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 15 +ATOM 23536 H HG13 . ILE A 1 70 ? 9.353 -0.768 -3.955 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 15 +ATOM 23537 H HG21 . ILE A 1 70 ? 13.307 0.211 -5.216 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 15 +ATOM 23538 H HG22 . ILE A 1 70 ? 12.448 -1.116 -6.002 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 15 +ATOM 23539 H HG23 . ILE A 1 70 ? 13.009 -1.292 -4.339 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 15 +ATOM 23540 H HD11 . ILE A 1 70 ? 9.444 -1.116 -6.368 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 15 +ATOM 23541 H HD12 . ILE A 1 70 ? 9.141 -2.624 -5.504 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 15 +ATOM 23542 H HD13 . ILE A 1 70 ? 10.749 -2.282 -6.154 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 15 +ATOM 23543 N N . ASP A 1 71 ? 13.098 2.379 -2.584 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 15 +ATOM 23544 C CA . ASP A 1 71 ? 13.802 3.648 -2.670 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 15 +ATOM 23545 C C . ASP A 1 71 ? 14.765 3.646 -3.836 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 15 +ATOM 23546 O O . ASP A 1 71 ? 15.052 4.683 -4.422 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 15 +ATOM 23547 C CB . ASP A 1 71 ? 14.551 3.936 -1.367 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 15 +ATOM 23548 C CG . ASP A 1 71 ? 15.694 2.975 -1.095 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 15 +ATOM 23549 O OD1 . ASP A 1 71 ? 15.443 1.847 -0.641 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 15 +ATOM 23550 O OD2 . ASP A 1 71 ? 16.858 3.347 -1.314 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 15 +ATOM 23551 H H . ASP A 1 71 ? 13.299 1.806 -1.810 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 15 +ATOM 23552 H HA . ASP A 1 71 ? 13.067 4.424 -2.826 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 15 +ATOM 23553 H HB2 . ASP A 1 71 ? 14.951 4.934 -1.421 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 15 +ATOM 23554 H HB3 . ASP A 1 71 ? 13.851 3.882 -0.546 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 15 +ATOM 23555 N N . GLU A 1 72 ? 15.206 2.465 -4.188 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 15 +ATOM 23556 C CA . GLU A 1 72 ? 16.138 2.238 -5.278 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 15 +ATOM 23557 C C . GLU A 1 72 ? 15.500 2.556 -6.636 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 15 +ATOM 23558 O O . GLU A 1 72 ? 16.178 2.959 -7.574 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 15 +ATOM 23559 C CB . GLU A 1 72 ? 16.581 0.791 -5.225 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 15 +ATOM 23560 C CG . GLU A 1 72 ? 17.260 0.425 -3.918 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 15 +ATOM 23561 C CD . GLU A 1 72 ? 17.462 -1.050 -3.764 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 15 +ATOM 23562 O OE1 . GLU A 1 72 ? 18.416 -1.603 -4.341 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 15 +ATOM 23563 O OE2 . GLU A 1 72 ? 16.648 -1.700 -3.056 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 15 +ATOM 23564 H H . GLU A 1 72 ? 14.910 1.699 -3.655 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 15 +ATOM 23565 H HA . GLU A 1 72 ? 17.001 2.867 -5.128 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 15 +ATOM 23566 H HB2 . GLU A 1 72 ? 15.720 0.152 -5.358 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 15 +ATOM 23567 H HB3 . GLU A 1 72 ? 17.279 0.617 -6.029 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 15 +ATOM 23568 H HG2 . GLU A 1 72 ? 18.225 0.907 -3.880 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 15 +ATOM 23569 H HG3 . GLU A 1 72 ? 16.651 0.781 -3.100 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 15 +ATOM 23570 N N . LYS A 1 73 ? 14.198 2.370 -6.734 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 15 +ATOM 23571 C CA . LYS A 1 73 ? 13.478 2.660 -7.968 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 15 +ATOM 23572 C C . LYS A 1 73 ? 12.675 3.946 -7.820 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 15 +ATOM 23573 O O . LYS A 1 73 ? 12.072 4.430 -8.779 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 15 +ATOM 23574 C CB . LYS A 1 73 ? 12.534 1.514 -8.335 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 15 +ATOM 23575 C CG . LYS A 1 73 ? 13.200 0.197 -8.688 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 15 +ATOM 23576 C CD . LYS A 1 73 ? 12.145 -0.847 -9.037 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 15 +ATOM 23577 C CE . LYS A 1 73 ? 12.750 -2.202 -9.379 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 15 +ATOM 23578 N NZ . LYS A 1 73 ? 13.663 -2.144 -10.548 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 15 +ATOM 23579 H H . LYS A 1 73 ? 13.707 2.041 -5.955 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 15 +ATOM 23580 H HA . LYS A 1 73 ? 14.205 2.785 -8.755 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 15 +ATOM 23581 H HB2 . LYS A 1 73 ? 11.912 1.322 -7.474 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 15 +ATOM 23582 H HB3 . LYS A 1 73 ? 11.911 1.821 -9.163 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 15 +ATOM 23583 H HG2 . LYS A 1 73 ? 13.849 0.347 -9.539 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 15 +ATOM 23584 H HG3 . LYS A 1 73 ? 13.777 -0.150 -7.844 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 15 +ATOM 23585 H HD2 . LYS A 1 73 ? 11.486 -0.970 -8.190 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 15 +ATOM 23586 H HD3 . LYS A 1 73 ? 11.573 -0.491 -9.881 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 15 +ATOM 23587 H HE2 . LYS A 1 73 ? 13.298 -2.564 -8.523 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 15 +ATOM 23588 H HE3 . LYS A 1 73 ? 11.946 -2.889 -9.591 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 15 +ATOM 23589 H HZ1 . LYS A 1 73 ? 13.159 -1.832 -11.402 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 15 +ATOM 23590 H HZ2 . LYS A 1 73 ? 14.052 -3.094 -10.723 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 15 +ATOM 23591 H HZ3 . LYS A 1 73 ? 14.466 -1.508 -10.377 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 15 +ATOM 23592 N N . VAL A 1 74 ? 12.666 4.484 -6.594 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 15 +ATOM 23593 C CA . VAL A 1 74 ? 11.934 5.713 -6.244 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 15 +ATOM 23594 C C . VAL A 1 74 ? 10.405 5.461 -6.412 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 15 +ATOM 23595 O O . VAL A 1 74 ? 9.607 6.366 -6.636 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 15 +ATOM 23596 C CB . VAL A 1 74 ? 12.439 6.954 -7.104 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 15 +ATOM 23597 C CG1 . VAL A 1 74 ? 11.824 8.279 -6.641 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 15 +ATOM 23598 C CG2 . VAL A 1 74 ? 13.964 7.056 -7.064 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 15 +ATOM 23599 H H . VAL A 1 74 ? 13.178 4.036 -5.890 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 15 +ATOM 23600 H HA . VAL A 1 74 ? 12.120 5.896 -5.196 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 15 +ATOM 23601 H HB . VAL A 1 74 ? 12.141 6.786 -8.128 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 15 +ATOM 23602 H HG11 . VAL A 1 74 ? 12.078 8.452 -5.606 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 15 +ATOM 23603 H HG12 . VAL A 1 74 ? 10.750 8.232 -6.745 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 15 +ATOM 23604 H HG13 . VAL A 1 74 ? 12.206 9.087 -7.246 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 15 +ATOM 23605 H HG21 . VAL A 1 74 ? 14.292 7.188 -6.043 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 15 +ATOM 23606 H HG22 . VAL A 1 74 ? 14.285 7.901 -7.656 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 15 +ATOM 23607 H HG23 . VAL A 1 74 ? 14.395 6.152 -7.465 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 15 +ATOM 23608 N N . VAL A 1 75 ? 9.998 4.226 -6.221 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 15 +ATOM 23609 C CA . VAL A 1 75 ? 8.608 3.882 -6.392 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 15 +ATOM 23610 C C . VAL A 1 75 ? 8.086 3.088 -5.200 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 15 +ATOM 23611 O O . VAL A 1 75 ? 8.788 2.251 -4.617 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 15 +ATOM 23612 C CB . VAL A 1 75 ? 8.328 3.126 -7.745 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 15 +ATOM 23613 C CG1 . VAL A 1 75 ? 8.995 1.772 -7.797 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 15 +ATOM 23614 C CG2 . VAL A 1 75 ? 6.832 3.003 -8.036 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 15 +ATOM 23615 H H . VAL A 1 75 ? 10.630 3.536 -5.923 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 15 +ATOM 23616 H HA . VAL A 1 75 ? 8.065 4.818 -6.409 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 15 +ATOM 23617 H HB . VAL A 1 75 ? 8.774 3.713 -8.535 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 15 +ATOM 23618 H HG11 . VAL A 1 75 ? 8.761 1.301 -8.741 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 15 +ATOM 23619 H HG12 . VAL A 1 75 ? 8.635 1.165 -6.980 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 15 +ATOM 23620 H HG13 . VAL A 1 75 ? 10.060 1.910 -7.713 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 15 +ATOM 23621 H HG21 . VAL A 1 75 ? 6.353 2.458 -7.236 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 15 +ATOM 23622 H HG22 . VAL A 1 75 ? 6.686 2.477 -8.968 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 15 +ATOM 23623 H HG23 . VAL A 1 75 ? 6.396 3.989 -8.108 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 15 +ATOM 23624 N N . VAL A 1 76 ? 6.903 3.414 -4.817 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 15 +ATOM 23625 C CA . VAL A 1 76 ? 6.191 2.767 -3.779 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 15 +ATOM 23626 C C . VAL A 1 76 ? 5.266 1.747 -4.433 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 15 +ATOM 23627 O O . VAL A 1 76 ? 4.426 2.094 -5.278 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 15 +ATOM 23628 C CB . VAL A 1 76 ? 5.375 3.803 -2.975 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 15 +ATOM 23629 C CG1 . VAL A 1 76 ? 4.598 3.142 -1.875 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 15 +ATOM 23630 C CG2 . VAL A 1 76 ? 6.288 4.882 -2.405 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 15 +ATOM 23631 H H . VAL A 1 76 ? 6.445 4.152 -5.273 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 15 +ATOM 23632 H HA . VAL A 1 76 ? 6.889 2.269 -3.124 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 15 +ATOM 23633 H HB . VAL A 1 76 ? 4.679 4.280 -3.648 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 15 +ATOM 23634 H HG11 . VAL A 1 76 ? 3.915 2.422 -2.301 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 15 +ATOM 23635 H HG12 . VAL A 1 76 ? 4.040 3.887 -1.329 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 15 +ATOM 23636 H HG13 . VAL A 1 76 ? 5.279 2.635 -1.208 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 15 +ATOM 23637 H HG21 . VAL A 1 76 ? 7.031 4.428 -1.766 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 15 +ATOM 23638 H HG22 . VAL A 1 76 ? 5.705 5.587 -1.833 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 15 +ATOM 23639 H HG23 . VAL A 1 76 ? 6.780 5.397 -3.216 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 15 +ATOM 23640 N N . PHE A 1 77 ? 5.440 0.519 -4.076 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 15 +ATOM 23641 C CA . PHE A 1 77 ? 4.739 -0.570 -4.692 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 15 +ATOM 23642 C C . PHE A 1 77 ? 3.712 -1.141 -3.719 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 15 +ATOM 23643 O O . PHE A 1 77 ? 4.076 -1.723 -2.694 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 15 +ATOM 23644 C CB . PHE A 1 77 ? 5.783 -1.623 -5.095 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 15 +ATOM 23645 C CG . PHE A 1 77 ? 5.275 -2.800 -5.871 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 15 +ATOM 23646 C CD1 . PHE A 1 77 ? 4.938 -2.670 -7.208 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 15 +ATOM 23647 C CD2 . PHE A 1 77 ? 5.177 -4.046 -5.275 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 15 +ATOM 23648 C CE1 . PHE A 1 77 ? 4.510 -3.757 -7.935 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 15 +ATOM 23649 C CE2 . PHE A 1 77 ? 4.745 -5.139 -5.997 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 15 +ATOM 23650 C CZ . PHE A 1 77 ? 4.414 -4.993 -7.331 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 15 +ATOM 23651 H H . PHE A 1 77 ? 6.060 0.311 -3.341 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 15 +ATOM 23652 H HA . PHE A 1 77 ? 4.245 -0.211 -5.583 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 15 +ATOM 23653 H HB2 . PHE A 1 77 ? 6.536 -1.146 -5.703 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 15 +ATOM 23654 H HB3 . PHE A 1 77 ? 6.258 -1.992 -4.198 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 15 +ATOM 23655 H HD1 . PHE A 1 77 ? 5.013 -1.702 -7.679 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 15 +ATOM 23656 H HD2 . PHE A 1 77 ? 5.434 -4.157 -4.232 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 15 +ATOM 23657 H HE1 . PHE A 1 77 ? 4.250 -3.644 -8.977 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 15 +ATOM 23658 H HE2 . PHE A 1 77 ? 4.670 -6.108 -5.523 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 15 +ATOM 23659 H HZ . PHE A 1 77 ? 4.078 -5.847 -7.901 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 15 +ATOM 23660 N N . VAL A 1 78 ? 2.446 -0.935 -4.014 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 15 +ATOM 23661 C CA . VAL A 1 78 ? 1.362 -1.440 -3.178 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 15 +ATOM 23662 C C . VAL A 1 78 ? 1.202 -2.919 -3.428 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 15 +ATOM 23663 O O . VAL A 1 78 ? 0.960 -3.320 -4.556 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 15 +ATOM 23664 C CB . VAL A 1 78 ? 0.018 -0.714 -3.473 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 15 +ATOM 23665 C CG1 . VAL A 1 78 ? -1.110 -1.259 -2.602 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 15 +ATOM 23666 C CG2 . VAL A 1 78 ? 0.165 0.789 -3.279 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 15 +ATOM 23667 H H . VAL A 1 78 ? 2.226 -0.442 -4.837 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 15 +ATOM 23668 H HA . VAL A 1 78 ? 1.632 -1.290 -2.143 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 15 +ATOM 23669 H HB . VAL A 1 78 ? -0.244 -0.898 -4.505 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 15 +ATOM 23670 H HG11 . VAL A 1 78 ? -1.252 -2.308 -2.814 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 15 +ATOM 23671 H HG12 . VAL A 1 78 ? -2.025 -0.724 -2.804 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 15 +ATOM 23672 H HG13 . VAL A 1 78 ? -0.850 -1.142 -1.559 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 15 +ATOM 23673 H HG21 . VAL A 1 78 ? -0.782 1.271 -3.474 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 15 +ATOM 23674 H HG22 . VAL A 1 78 ? 0.908 1.165 -3.967 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 15 +ATOM 23675 H HG23 . VAL A 1 78 ? 0.478 1.000 -2.267 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 15 +ATOM 23676 N N . ILE A 1 79 ? 1.331 -3.714 -2.383 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 15 +ATOM 23677 C CA . ILE A 1 79 ? 1.277 -5.162 -2.524 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 15 +ATOM 23678 C C . ILE A 1 79 ? -0.115 -5.670 -2.172 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 15 +ATOM 23679 O O . ILE A 1 79 ? -0.670 -6.542 -2.839 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 15 +ATOM 23680 C CB . ILE A 1 79 ? 2.286 -5.861 -1.570 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 15 +ATOM 23681 C CG1 . ILE A 1 79 ? 3.675 -5.222 -1.670 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 15 +ATOM 23682 C CG2 . ILE A 1 79 ? 2.376 -7.358 -1.901 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 15 +ATOM 23683 C CD1 . ILE A 1 79 ? 4.663 -5.764 -0.655 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 15 +ATOM 23684 H H . ILE A 1 79 ? 1.456 -3.322 -1.492 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 15 +ATOM 23685 H HA . ILE A 1 79 ? 1.520 -5.427 -3.542 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 15 +ATOM 23686 H HB . ILE A 1 79 ? 1.921 -5.760 -0.558 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 15 +ATOM 23687 H HG12 . ILE A 1 79 ? 4.081 -5.406 -2.654 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 15 +ATOM 23688 H HG13 . ILE A 1 79 ? 3.589 -4.156 -1.518 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 15 +ATOM 23689 H HG21 . ILE A 1 79 ? 2.678 -7.482 -2.932 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 15 +ATOM 23690 H HG22 . ILE A 1 79 ? 1.416 -7.827 -1.748 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 15 +ATOM 23691 H HG23 . ILE A 1 79 ? 3.113 -7.819 -1.259 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 15 +ATOM 23692 H HD11 . ILE A 1 79 ? 5.618 -5.281 -0.792 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 15 +ATOM 23693 H HD12 . ILE A 1 79 ? 4.773 -6.830 -0.795 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 15 +ATOM 23694 H HD13 . ILE A 1 79 ? 4.300 -5.569 0.343 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 15 +ATOM 23695 N N . SER A 1 80 ? -0.683 -5.128 -1.124 1.00 0.00 ? ? ? ? ? ? 77 SER A N 15 +ATOM 23696 C CA . SER A 1 80 ? -1.959 -5.591 -0.647 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 15 +ATOM 23697 C C . SER A 1 80 ? -2.791 -4.422 -0.157 1.00 0.00 ? ? ? ? ? ? 77 SER A C 15 +ATOM 23698 O O . SER A 1 80 ? -2.252 -3.433 0.329 1.00 0.00 ? ? ? ? ? ? 77 SER A O 15 +ATOM 23699 C CB . SER A 1 80 ? -1.743 -6.605 0.481 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 15 +ATOM 23700 O OG . SER A 1 80 ? -0.912 -7.667 0.036 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 15 +ATOM 23701 H H . SER A 1 80 ? -0.258 -4.384 -0.643 1.00 0.00 ? ? ? ? ? ? 77 SER A H 15 +ATOM 23702 H HA . SER A 1 80 ? -2.471 -6.083 -1.461 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 15 +ATOM 23703 H HB2 . SER A 1 80 ? -1.268 -6.117 1.320 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 15 +ATOM 23704 H HB3 . SER A 1 80 ? -2.695 -7.012 0.789 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 15 +ATOM 23705 H HG . SER A 1 80 ? -0.760 -7.545 -0.909 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 15 +ATOM 23706 N N . VAL A 1 81 ? -4.077 -4.523 -0.315 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 15 +ATOM 23707 C CA . VAL A 1 81 ? -4.984 -3.499 0.109 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 15 +ATOM 23708 C C . VAL A 1 81 ? -6.302 -4.150 0.503 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 15 +ATOM 23709 O O . VAL A 1 81 ? -6.689 -5.158 -0.088 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 15 +ATOM 23710 C CB . VAL A 1 81 ? -5.188 -2.421 -1.018 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 15 +ATOM 23711 C CG1 . VAL A 1 81 ? -5.727 -3.027 -2.300 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 15 +ATOM 23712 C CG2 . VAL A 1 81 ? -6.078 -1.292 -0.553 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 15 +ATOM 23713 H H . VAL A 1 81 ? -4.486 -5.319 -0.720 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 15 +ATOM 23714 H HA . VAL A 1 81 ? -4.558 -3.024 0.980 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 15 +ATOM 23715 H HB . VAL A 1 81 ? -4.215 -2.012 -1.245 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 15 +ATOM 23716 H HG11 . VAL A 1 81 ? -5.038 -3.778 -2.661 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 15 +ATOM 23717 H HG12 . VAL A 1 81 ? -5.836 -2.254 -3.046 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 15 +ATOM 23718 H HG13 . VAL A 1 81 ? -6.687 -3.481 -2.108 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 15 +ATOM 23719 H HG21 . VAL A 1 81 ? -7.051 -1.680 -0.290 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 15 +ATOM 23720 H HG22 . VAL A 1 81 ? -6.176 -0.565 -1.346 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 15 +ATOM 23721 H HG23 . VAL A 1 81 ? -5.632 -0.821 0.311 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 15 +ATOM 23722 N N . GLY A 1 82 ? -6.928 -3.649 1.535 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 15 +ATOM 23723 C CA . GLY A 1 82 ? -8.206 -4.158 1.917 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 15 +ATOM 23724 C C . GLY A 1 82 ? -8.446 -4.043 3.391 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 15 +ATOM 23725 O O . GLY A 1 82 ? -8.488 -2.940 3.935 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 15 +ATOM 23726 H H . GLY A 1 82 ? -6.525 -2.940 2.087 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 15 +ATOM 23727 H HA2 . GLY A 1 82 ? -8.962 -3.587 1.398 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 15 +ATOM 23728 H HA3 . GLY A 1 82 ? -8.293 -5.190 1.615 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 15 +ATOM 23729 N N . LYS A 1 83 ? -8.567 -5.153 4.053 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 15 +ATOM 23730 C CA . LYS A 1 83 ? -8.895 -5.160 5.452 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 15 +ATOM 23731 C C . LYS A 1 83 ? -8.060 -6.171 6.185 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 15 +ATOM 23732 O O . LYS A 1 83 ? -7.652 -7.185 5.630 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 15 +ATOM 23733 C CB . LYS A 1 83 ? -10.387 -5.476 5.658 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 15 +ATOM 23734 C CG . LYS A 1 83 ? -11.333 -4.430 5.081 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 15 +ATOM 23735 C CD . LYS A 1 83 ? -12.792 -4.845 5.178 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 15 +ATOM 23736 C CE . LYS A 1 83 ? -13.248 -5.015 6.616 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 15 +ATOM 23737 N NZ . LYS A 1 83 ? -14.667 -5.426 6.701 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 15 +ATOM 23738 H H . LYS A 1 83 ? -8.395 -6.017 3.615 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 15 +ATOM 23739 H HA . LYS A 1 83 ? -8.699 -4.176 5.848 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 15 +ATOM 23740 H HB2 . LYS A 1 83 ? -10.605 -6.424 5.191 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 15 +ATOM 23741 H HB3 . LYS A 1 83 ? -10.570 -5.556 6.719 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 15 +ATOM 23742 H HG2 . LYS A 1 83 ? -11.203 -3.506 5.627 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 15 +ATOM 23743 H HG3 . LYS A 1 83 ? -11.078 -4.268 4.044 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 15 +ATOM 23744 H HD2 . LYS A 1 83 ? -13.395 -4.084 4.709 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 15 +ATOM 23745 H HD3 . LYS A 1 83 ? -12.932 -5.777 4.651 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 15 +ATOM 23746 H HE2 . LYS A 1 83 ? -12.643 -5.779 7.080 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 15 +ATOM 23747 H HE3 . LYS A 1 83 ? -13.112 -4.080 7.139 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 15 +ATOM 23748 H HZ1 . LYS A 1 83 ? -15.295 -4.727 6.252 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 15 +ATOM 23749 H HZ2 . LYS A 1 83 ? -14.953 -5.516 7.696 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 15 +ATOM 23750 H HZ3 . LYS A 1 83 ? -14.813 -6.348 6.245 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 15 +ATOM 23751 N N . ALA A 1 84 ? -7.790 -5.892 7.416 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 15 +ATOM 23752 C CA . ALA A 1 84 ? -7.081 -6.804 8.229 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 15 +ATOM 23753 C C . ALA A 1 84 ? -8.040 -7.407 9.214 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 15 +ATOM 23754 O O . ALA A 1 84 ? -8.313 -6.830 10.279 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 15 +ATOM 23755 C CB . ALA A 1 84 ? -5.911 -6.139 8.927 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 15 +ATOM 23756 H H . ALA A 1 84 ? -8.106 -5.045 7.800 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 15 +ATOM 23757 H HA . ALA A 1 84 ? -6.707 -7.589 7.588 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 15 +ATOM 23758 H HB1 . ALA A 1 84 ? -5.367 -6.870 9.509 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 15 +ATOM 23759 H HB2 . ALA A 1 84 ? -6.280 -5.360 9.577 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 15 +ATOM 23760 H HB3 . ALA A 1 84 ? -5.256 -5.705 8.184 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 15 +ATOM 23761 N N . GLU A 1 85 ? -8.620 -8.510 8.829 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 15 +ATOM 23762 C CA . GLU A 1 85 ? -9.536 -9.231 9.681 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 15 +ATOM 23763 C C . GLU A 1 85 ? -8.708 -9.940 10.740 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 15 +ATOM 23764 O O . GLU A 1 85 ? -9.011 -9.910 11.935 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 15 +ATOM 23765 C CB . GLU A 1 85 ? -10.421 -10.225 8.867 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 15 +ATOM 23766 C CG . GLU A 1 85 ? -9.700 -11.423 8.226 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 15 +ATOM 23767 C CD . GLU A 1 85 ? -8.654 -11.041 7.205 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 15 +ATOM 23768 O OE1 . GLU A 1 85 ? -7.467 -10.821 7.594 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 15 +ATOM 23769 O OE2 . GLU A 1 85 ? -8.997 -10.940 6.018 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 15 +ATOM 23770 H H . GLU A 1 85 ? -8.408 -8.873 7.940 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 15 +ATOM 23771 H HA . GLU A 1 85 ? -10.161 -8.505 10.178 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 15 +ATOM 23772 H HB2 . GLU A 1 85 ? -11.185 -10.619 9.520 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 15 +ATOM 23773 H HB3 . GLU A 1 85 ? -10.909 -9.667 8.080 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 15 +ATOM 23774 H HG2 . GLU A 1 85 ? -9.201 -11.954 9.022 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 15 +ATOM 23775 H HG3 . GLU A 1 85 ? -10.434 -12.064 7.765 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 15 +ATOM 23776 N N . ALA A 1 86 ? -7.627 -10.506 10.286 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 15 +ATOM 23777 C CA . ALA A 1 86 ? -6.669 -11.130 11.114 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 15 +ATOM 23778 C C . ALA A 1 86 ? -5.306 -10.824 10.563 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 15 +ATOM 23779 O O . ALA A 1 86 ? -4.555 -10.060 11.164 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 15 +ATOM 23780 C CB . ALA A 1 86 ? -6.899 -12.630 11.194 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 15 +ATOM 23781 H H . ALA A 1 86 ? -7.485 -10.506 9.308 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 15 +ATOM 23782 H HA . ALA A 1 86 ? -6.753 -10.708 12.105 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 15 +ATOM 23783 H HB1 . ALA A 1 86 ? -7.888 -12.824 11.584 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 15 +ATOM 23784 H HB2 . ALA A 1 86 ? -6.161 -13.077 11.844 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 15 +ATOM 23785 H HB3 . ALA A 1 86 ? -6.809 -13.055 10.207 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 15 +ATOM 23786 N N . SER A 1 87 ? -4.999 -11.346 9.381 1.00 0.00 ? ? ? ? ? ? 84 SER A N 15 +ATOM 23787 C CA . SER A 1 87 ? -3.675 -11.158 8.818 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 15 +ATOM 23788 C C . SER A 1 87 ? -3.652 -11.223 7.277 1.00 0.00 ? ? ? ? ? ? 84 SER A C 15 +ATOM 23789 O O . SER A 1 87 ? -2.580 -11.388 6.712 1.00 0.00 ? ? ? ? ? ? 84 SER A O 15 +ATOM 23790 C CB . SER A 1 87 ? -2.707 -12.222 9.379 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 15 +ATOM 23791 O OG . SER A 1 87 ? -2.657 -12.199 10.809 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 15 +ATOM 23792 H H . SER A 1 87 ? -5.674 -11.857 8.883 1.00 0.00 ? ? ? ? ? ? 84 SER A H 15 +ATOM 23793 H HA . SER A 1 87 ? -3.318 -10.192 9.138 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 15 +ATOM 23794 H HB2 . SER A 1 87 ? -3.035 -13.203 9.065 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 15 +ATOM 23795 H HB3 . SER A 1 87 ? -1.715 -12.037 8.993 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 15 +ATOM 23796 H HG . SER A 1 87 ? -2.674 -11.278 11.107 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 15 +ATOM 23797 N N . GLU A 1 88 ? -4.793 -11.024 6.593 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 15 +ATOM 23798 C CA . GLU A 1 88 ? -4.818 -11.140 5.109 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 15 +ATOM 23799 C C . GLU A 1 88 ? -3.831 -10.184 4.446 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 15 +ATOM 23800 O O . GLU A 1 88 ? -3.093 -10.574 3.528 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 15 +ATOM 23801 C CB . GLU A 1 88 ? -6.213 -10.898 4.552 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 15 +ATOM 23802 C CG . GLU A 1 88 ? -6.315 -11.084 3.044 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 15 +ATOM 23803 C CD . GLU A 1 88 ? -7.722 -10.971 2.533 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 15 +ATOM 23804 O OE1 . GLU A 1 88 ? -8.171 -9.856 2.216 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 15 +ATOM 23805 O OE2 . GLU A 1 88 ? -8.407 -12.011 2.419 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 15 +ATOM 23806 H H . GLU A 1 88 ? -5.651 -10.832 7.043 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 15 +ATOM 23807 H HA . GLU A 1 88 ? -4.517 -12.149 4.868 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 15 +ATOM 23808 H HB2 . GLU A 1 88 ? -6.899 -11.572 5.040 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 15 +ATOM 23809 H HB3 . GLU A 1 88 ? -6.502 -9.884 4.789 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 15 +ATOM 23810 H HG2 . GLU A 1 88 ? -5.714 -10.328 2.560 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 15 +ATOM 23811 H HG3 . GLU A 1 88 ? -5.927 -12.059 2.792 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 15 +ATOM 23812 N N . VAL A 1 89 ? -3.779 -8.957 4.950 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 15 +ATOM 23813 C CA . VAL A 1 89 ? -2.864 -7.941 4.428 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 15 +ATOM 23814 C C . VAL A 1 89 ? -1.388 -8.335 4.616 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 15 +ATOM 23815 O O . VAL A 1 89 ? -0.515 -7.813 3.948 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 15 +ATOM 23816 C CB . VAL A 1 89 ? -3.125 -6.534 5.039 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 15 +ATOM 23817 C CG1 . VAL A 1 89 ? -4.508 -6.028 4.652 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 15 +ATOM 23818 C CG2 . VAL A 1 89 ? -2.968 -6.549 6.559 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 15 +ATOM 23819 H H . VAL A 1 89 ? -4.400 -8.729 5.672 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 15 +ATOM 23820 H HA . VAL A 1 89 ? -3.047 -7.888 3.364 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 15 +ATOM 23821 H HB . VAL A 1 89 ? -2.398 -5.853 4.624 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 15 +ATOM 23822 H HG11 . VAL A 1 89 ? -4.670 -5.055 5.091 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 15 +ATOM 23823 H HG12 . VAL A 1 89 ? -5.255 -6.714 5.021 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 15 +ATOM 23824 H HG13 . VAL A 1 89 ? -4.579 -5.956 3.577 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 15 +ATOM 23825 H HG21 . VAL A 1 89 ? -1.966 -6.864 6.814 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 15 +ATOM 23826 H HG22 . VAL A 1 89 ? -3.679 -7.240 6.988 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 15 +ATOM 23827 H HG23 . VAL A 1 89 ? -3.144 -5.557 6.950 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 15 +ATOM 23828 N N . TYR A 1 90 ? -1.129 -9.256 5.527 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 15 +ATOM 23829 C CA . TYR A 1 90 ? 0.215 -9.739 5.739 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 15 +ATOM 23830 C C . TYR A 1 90 ? 0.466 -10.952 4.879 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 15 +ATOM 23831 O O . TYR A 1 90 ? 1.519 -11.077 4.298 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 15 +ATOM 23832 C CB . TYR A 1 90 ? 0.479 -10.100 7.197 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 15 +ATOM 23833 C CG . TYR A 1 90 ? 0.496 -8.940 8.158 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 15 +ATOM 23834 C CD1 . TYR A 1 90 ? 1.638 -8.169 8.312 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 15 +ATOM 23835 C CD2 . TYR A 1 90 ? -0.608 -8.634 8.935 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 15 +ATOM 23836 C CE1 . TYR A 1 90 ? 1.678 -7.124 9.206 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 15 +ATOM 23837 C CE2 . TYR A 1 90 ? -0.576 -7.594 9.839 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 15 +ATOM 23838 C CZ . TYR A 1 90 ? 0.571 -6.841 9.972 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 15 +ATOM 23839 O OH . TYR A 1 90 ? 0.613 -5.815 10.895 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 15 +ATOM 23840 H H . TYR A 1 90 ? -1.866 -9.649 6.041 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 15 +ATOM 23841 H HA . TYR A 1 90 ? 0.897 -8.957 5.442 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 15 +ATOM 23842 H HB2 . TYR A 1 90 ? -0.281 -10.791 7.529 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 15 +ATOM 23843 H HB3 . TYR A 1 90 ? 1.437 -10.596 7.255 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 15 +ATOM 23844 H HD1 . TYR A 1 90 ? 2.505 -8.392 7.708 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 15 +ATOM 23845 H HD2 . TYR A 1 90 ? -1.504 -9.226 8.825 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 15 +ATOM 23846 H HE1 . TYR A 1 90 ? 2.579 -6.538 9.302 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 15 +ATOM 23847 H HE2 . TYR A 1 90 ? -1.447 -7.370 10.436 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 15 +ATOM 23848 H HH . TYR A 1 90 ? 0.274 -6.209 11.710 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 15 +ATOM 23849 N N . SER A 1 91 ? -0.530 -11.825 4.794 1.00 0.00 ? ? ? ? ? ? 88 SER A N 15 +ATOM 23850 C CA . SER A 1 91 ? -0.439 -13.072 4.047 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 15 +ATOM 23851 C C . SER A 1 91 ? -0.080 -12.835 2.581 1.00 0.00 ? ? ? ? ? ? 88 SER A C 15 +ATOM 23852 O O . SER A 1 91 ? 0.892 -13.403 2.072 1.00 0.00 ? ? ? ? ? ? 88 SER A O 15 +ATOM 23853 C CB . SER A 1 91 ? -1.767 -13.812 4.153 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 15 +ATOM 23854 O OG . SER A 1 91 ? -2.107 -14.028 5.518 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 15 +ATOM 23855 H H . SER A 1 91 ? -1.372 -11.641 5.266 1.00 0.00 ? ? ? ? ? ? 88 SER A H 15 +ATOM 23856 H HA . SER A 1 91 ? 0.324 -13.683 4.504 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 15 +ATOM 23857 H HB2 . SER A 1 91 ? -2.543 -13.221 3.690 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 15 +ATOM 23858 H HB3 . SER A 1 91 ? -1.694 -14.766 3.653 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 15 +ATOM 23859 H HG . SER A 1 91 ? -1.303 -13.881 6.039 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 15 +ATOM 23860 N N . GLU A 1 92 ? -0.821 -11.952 1.938 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 15 +ATOM 23861 C CA . GLU A 1 92 ? -0.609 -11.655 0.533 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 15 +ATOM 23862 C C . GLU A 1 92 ? 0.740 -10.982 0.306 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 15 +ATOM 23863 O O . GLU A 1 92 ? 1.363 -11.141 -0.748 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 15 +ATOM 23864 C CB . GLU A 1 92 ? -1.744 -10.785 0.005 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 15 +ATOM 23865 C CG . GLU A 1 92 ? -3.100 -11.464 0.033 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 15 +ATOM 23866 C CD . GLU A 1 92 ? -3.117 -12.705 -0.817 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 15 +ATOM 23867 O OE1 . GLU A 1 92 ? -2.958 -12.593 -2.040 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 15 +ATOM 23868 O OE2 . GLU A 1 92 ? -3.265 -13.831 -0.280 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 15 +ATOM 23869 H H . GLU A 1 92 ? -1.536 -11.479 2.417 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 15 +ATOM 23870 H HA . GLU A 1 92 ? -0.615 -12.592 -0.003 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 15 +ATOM 23871 H HB2 . GLU A 1 92 ? -1.800 -9.888 0.604 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 15 +ATOM 23872 H HB3 . GLU A 1 92 ? -1.522 -10.510 -1.016 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 15 +ATOM 23873 H HG2 . GLU A 1 92 ? -3.333 -11.740 1.050 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 15 +ATOM 23874 H HG3 . GLU A 1 92 ? -3.849 -10.778 -0.334 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 15 +ATOM 23875 N N . ALA A 1 93 ? 1.198 -10.267 1.306 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 15 +ATOM 23876 C CA . ALA A 1 93 ? 2.450 -9.567 1.222 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 15 +ATOM 23877 C C . ALA A 1 93 ? 3.622 -10.508 1.478 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 15 +ATOM 23878 O O . ALA A 1 93 ? 4.569 -10.551 0.700 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 15 +ATOM 23879 C CB . ALA A 1 93 ? 2.474 -8.392 2.190 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 15 +ATOM 23880 H H . ALA A 1 93 ? 0.667 -10.220 2.127 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 15 +ATOM 23881 H HA . ALA A 1 93 ? 2.536 -9.179 0.218 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 15 +ATOM 23882 H HB1 . ALA A 1 93 ? 3.394 -7.840 2.058 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 15 +ATOM 23883 H HB2 . ALA A 1 93 ? 2.415 -8.758 3.204 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 15 +ATOM 23884 H HB3 . ALA A 1 93 ? 1.632 -7.745 1.988 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 15 +ATOM 23885 N N . VAL A 1 94 ? 3.536 -11.301 2.539 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 15 +ATOM 23886 C CA . VAL A 1 94 ? 4.624 -12.191 2.920 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 15 +ATOM 23887 C C . VAL A 1 94 ? 4.855 -13.268 1.858 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 15 +ATOM 23888 O O . VAL A 1 94 ? 5.990 -13.605 1.565 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 15 +ATOM 23889 C CB . VAL A 1 94 ? 4.447 -12.818 4.349 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 15 +ATOM 23890 C CG1 . VAL A 1 94 ? 3.296 -13.816 4.422 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 15 +ATOM 23891 C CG2 . VAL A 1 94 ? 5.751 -13.437 4.846 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 15 +ATOM 23892 H H . VAL A 1 94 ? 2.718 -11.278 3.088 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 15 +ATOM 23893 H HA . VAL A 1 94 ? 5.511 -11.573 2.925 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 15 +ATOM 23894 H HB . VAL A 1 94 ? 4.193 -12.006 5.016 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 15 +ATOM 23895 H HG11 . VAL A 1 94 ? 2.377 -13.317 4.153 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 15 +ATOM 23896 H HG12 . VAL A 1 94 ? 3.217 -14.204 5.427 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 15 +ATOM 23897 H HG13 . VAL A 1 94 ? 3.478 -14.628 3.734 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 15 +ATOM 23898 H HG21 . VAL A 1 94 ? 5.595 -13.877 5.820 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 15 +ATOM 23899 H HG22 . VAL A 1 94 ? 6.509 -12.671 4.913 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 15 +ATOM 23900 H HG23 . VAL A 1 94 ? 6.072 -14.197 4.150 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 15 +ATOM 23901 N N . LYS A 1 95 ? 3.778 -13.725 1.218 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 15 +ATOM 23902 C CA . LYS A 1 95 ? 3.869 -14.729 0.150 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 15 +ATOM 23903 C C . LYS A 1 95 ? 4.524 -14.169 -1.107 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 15 +ATOM 23904 O O . LYS A 1 95 ? 4.822 -14.903 -2.058 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 15 +ATOM 23905 C CB . LYS A 1 95 ? 2.508 -15.354 -0.177 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 15 +ATOM 23906 C CG . LYS A 1 95 ? 1.949 -16.262 0.913 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 15 +ATOM 23907 C CD . LYS A 1 95 ? 2.872 -17.442 1.179 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 15 +ATOM 23908 C CE . LYS A 1 95 ? 2.263 -18.411 2.168 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 15 +ATOM 23909 N NZ . LYS A 1 95 ? 3.163 -19.551 2.441 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 15 +ATOM 23910 H H . LYS A 1 95 ? 2.890 -13.389 1.479 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 15 +ATOM 23911 H HA . LYS A 1 95 ? 4.524 -15.504 0.521 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 15 +ATOM 23912 H HB2 . LYS A 1 95 ? 1.797 -14.560 -0.350 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 15 +ATOM 23913 H HB3 . LYS A 1 95 ? 2.607 -15.933 -1.083 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 15 +ATOM 23914 H HG2 . LYS A 1 95 ? 1.838 -15.697 1.826 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 15 +ATOM 23915 H HG3 . LYS A 1 95 ? 0.986 -16.638 0.602 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 15 +ATOM 23916 H HD2 . LYS A 1 95 ? 3.055 -17.964 0.252 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 15 +ATOM 23917 H HD3 . LYS A 1 95 ? 3.809 -17.081 1.581 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 15 +ATOM 23918 H HE2 . LYS A 1 95 ? 2.054 -17.892 3.091 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 15 +ATOM 23919 H HE3 . LYS A 1 95 ? 1.339 -18.785 1.751 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 15 +ATOM 23920 H HZ1 . LYS A 1 95 ? 4.062 -19.222 2.848 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 15 +ATOM 23921 H HZ2 . LYS A 1 95 ? 3.401 -20.069 1.573 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 15 +ATOM 23922 H HZ3 . LYS A 1 95 ? 2.736 -20.222 3.110 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 15 +ATOM 23923 N N . ARG A 1 96 ? 4.703 -12.873 -1.143 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 15 +ATOM 23924 C CA . ARG A 1 96 ? 5.368 -12.244 -2.247 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 15 +ATOM 23925 C C . ARG A 1 96 ? 6.878 -12.201 -1.987 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 15 +ATOM 23926 O O . ARG A 1 96 ? 7.679 -12.179 -2.917 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 15 +ATOM 23927 C CB . ARG A 1 96 ? 4.814 -10.841 -2.460 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 15 +ATOM 23928 C CG . ARG A 1 96 ? 5.324 -10.150 -3.705 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 15 +ATOM 23929 C CD . ARG A 1 96 ? 5.003 -10.970 -4.943 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 15 +ATOM 23930 N NE . ARG A 1 96 ? 5.175 -10.189 -6.146 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 15 +ATOM 23931 C CZ . ARG A 1 96 ? 4.187 -9.491 -6.701 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 15 +ATOM 23932 N NH1 . ARG A 1 96 ? 2.936 -9.623 -6.244 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 15 +ATOM 23933 N NH2 . ARG A 1 96 ? 4.423 -8.686 -7.713 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 15 +ATOM 23934 H H . ARG A 1 96 ? 4.371 -12.324 -0.399 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 15 +ATOM 23935 H HA . ARG A 1 96 ? 5.178 -12.837 -3.128 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 15 +ATOM 23936 H HB2 . ARG A 1 96 ? 3.738 -10.899 -2.525 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 15 +ATOM 23937 H HB3 . ARG A 1 96 ? 5.073 -10.234 -1.605 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 15 +ATOM 23938 H HG2 . ARG A 1 96 ? 4.854 -9.182 -3.791 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 15 +ATOM 23939 H HG3 . ARG A 1 96 ? 6.395 -10.031 -3.630 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 15 +ATOM 23940 H HD2 . ARG A 1 96 ? 5.673 -11.815 -4.978 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 15 +ATOM 23941 H HD3 . ARG A 1 96 ? 3.984 -11.321 -4.886 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 15 +ATOM 23942 H HE . ARG A 1 96 ? 6.089 -10.167 -6.512 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 15 +ATOM 23943 H HH11 . ARG A 1 96 ? 2.664 -10.231 -5.500 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 15 +ATOM 23944 H HH12 . ARG A 1 96 ? 2.191 -9.050 -6.625 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 15 +ATOM 23945 H HH21 . ARG A 1 96 ? 5.330 -8.556 -8.123 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 15 +ATOM 23946 H HH22 . ARG A 1 96 ? 3.646 -8.137 -8.059 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 15 +ATOM 23947 N N . ILE A 1 97 ? 7.251 -12.199 -0.725 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 15 +ATOM 23948 C CA . ILE A 1 97 ? 8.653 -12.172 -0.344 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 15 +ATOM 23949 C C . ILE A 1 97 ? 9.166 -13.598 -0.122 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 15 +ATOM 23950 O O . ILE A 1 97 ? 10.279 -13.948 -0.545 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 15 +ATOM 23951 C CB . ILE A 1 97 ? 8.932 -11.258 0.925 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 15 +ATOM 23952 C CG1 . ILE A 1 97 ? 8.817 -9.742 0.600 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 15 +ATOM 23953 C CG2 . ILE A 1 97 ? 10.301 -11.540 1.543 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 15 +ATOM 23954 C CD1 . ILE A 1 97 ? 7.439 -9.236 0.244 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 15 +ATOM 23955 H H . ILE A 1 97 ? 6.563 -12.235 -0.027 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 15 +ATOM 23956 H HA . ILE A 1 97 ? 9.191 -11.765 -1.189 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 15 +ATOM 23957 H HB . ILE A 1 97 ? 8.187 -11.505 1.668 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 15 +ATOM 23958 H HG12 . ILE A 1 97 ? 9.146 -9.179 1.462 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 15 +ATOM 23959 H HG13 . ILE A 1 97 ? 9.478 -9.519 -0.224 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 15 +ATOM 23960 H HG21 . ILE A 1 97 ? 11.070 -11.346 0.811 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 15 +ATOM 23961 H HG22 . ILE A 1 97 ? 10.351 -12.573 1.855 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 15 +ATOM 23962 H HG23 . ILE A 1 97 ? 10.449 -10.899 2.399 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 15 +ATOM 23963 H HD11 . ILE A 1 97 ? 7.487 -8.176 0.041 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 15 +ATOM 23964 H HD12 . ILE A 1 97 ? 6.766 -9.417 1.070 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 15 +ATOM 23965 H HD13 . ILE A 1 97 ? 7.082 -9.757 -0.632 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 15 +ATOM 23966 N N . LEU A 1 98 ? 8.361 -14.417 0.520 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 15 +ATOM 23967 C CA . LEU A 1 98 ? 8.712 -15.784 0.779 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 15 +ATOM 23968 C C . LEU A 1 98 ? 7.422 -16.581 0.960 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 15 +ATOM 23969 O O . LEU A 1 98 ? 6.908 -16.675 2.088 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 15 +ATOM 23970 C CB . LEU A 1 98 ? 9.651 -15.875 2.018 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 15 +ATOM 23971 C CG . LEU A 1 98 ? 10.450 -17.187 2.225 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 15 +ATOM 23972 C CD1 . LEU A 1 98 ? 11.537 -16.966 3.255 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 15 +ATOM 23973 C CD2 . LEU A 1 98 ? 9.564 -18.339 2.680 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 15 +ATOM 23974 O OXT . LEU A 1 98 ? 6.913 -17.110 -0.047 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 15 +ATOM 23975 H H . LEU A 1 98 ? 7.477 -14.123 0.841 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 15 +ATOM 23976 H HA . LEU A 1 98 ? 9.224 -16.163 -0.093 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 15 +ATOM 23977 H HB2 . LEU A 1 98 ? 10.362 -15.066 1.947 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 15 +ATOM 23978 H HB3 . LEU A 1 98 ? 9.045 -15.710 2.897 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 15 +ATOM 23979 H HG . LEU A 1 98 ? 10.923 -17.458 1.294 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 15 +ATOM 23980 H HD11 . LEU A 1 98 ? 11.084 -16.672 4.190 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 15 +ATOM 23981 H HD12 . LEU A 1 98 ? 12.204 -16.186 2.916 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 15 +ATOM 23982 H HD13 . LEU A 1 98 ? 12.093 -17.880 3.395 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 15 +ATOM 23983 H HD21 . LEU A 1 98 ? 10.162 -19.230 2.797 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 15 +ATOM 23984 H HD22 . LEU A 1 98 ? 8.796 -18.518 1.940 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 15 +ATOM 23985 H HD23 . LEU A 1 98 ? 9.102 -18.089 3.624 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 15 +ATOM 23986 N N . MET A 1 4 ? 10.549 14.056 -0.148 1.00 0.00 ? ? ? ? ? ? 1 MET A N 16 +ATOM 23987 C CA . MET A 1 4 ? 11.078 13.212 -1.219 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 16 +ATOM 23988 C C . MET A 1 4 ? 9.974 12.393 -1.792 1.00 0.00 ? ? ? ? ? ? 1 MET A C 16 +ATOM 23989 O O . MET A 1 4 ? 9.339 11.616 -1.085 1.00 0.00 ? ? ? ? ? ? 1 MET A O 16 +ATOM 23990 C CB . MET A 1 4 ? 12.202 12.310 -0.722 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 16 +ATOM 23991 C CG . MET A 1 4 ? 12.716 11.300 -1.747 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 16 +ATOM 23992 S SD . MET A 1 4 ? 13.369 12.075 -3.238 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 16 +ATOM 23993 C CE . MET A 1 4 ? 13.811 10.620 -4.195 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 16 +ATOM 23994 H H . MET A 1 4 ? 11.275 14.613 0.343 1.00 0.00 ? ? ? ? ? ? 1 MET A H 16 +ATOM 23995 H HA . MET A 1 4 ? 11.455 13.864 -1.992 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 16 +ATOM 23996 H HB2 . MET A 1 4 ? 13.027 12.957 -0.469 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 16 +ATOM 23997 H HB3 . MET A 1 4 ? 11.848 11.780 0.147 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 16 +ATOM 23998 H HG2 . MET A 1 4 ? 13.501 10.713 -1.294 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 16 +ATOM 23999 H HG3 . MET A 1 4 ? 11.901 10.649 -2.025 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 16 +ATOM 24000 H HE1 . MET A 1 4 ? 14.233 10.925 -5.142 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 16 +ATOM 24001 H HE2 . MET A 1 4 ? 12.927 10.026 -4.371 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 16 +ATOM 24002 H HE3 . MET A 1 4 ? 14.537 10.036 -3.649 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 16 +ATOM 24003 N N . ALA A 1 5 ? 9.778 12.540 -3.056 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 16 +ATOM 24004 C CA . ALA A 1 5 ? 8.699 11.884 -3.738 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 16 +ATOM 24005 C C . ALA A 1 5 ? 9.174 10.634 -4.421 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 16 +ATOM 24006 O O . ALA A 1 5 ? 10.319 10.554 -4.884 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 16 +ATOM 24007 C CB . ALA A 1 5 ? 8.040 12.815 -4.740 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 16 +ATOM 24008 H H . ALA A 1 5 ? 10.426 13.091 -3.543 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 16 +ATOM 24009 H HA . ALA A 1 5 ? 7.960 11.614 -2.998 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 16 +ATOM 24010 H HB1 . ALA A 1 5 ? 8.743 13.057 -5.523 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 16 +ATOM 24011 H HB2 . ALA A 1 5 ? 7.727 13.721 -4.242 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 16 +ATOM 24012 H HB3 . ALA A 1 5 ? 7.178 12.323 -5.168 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 16 +ATOM 24013 N N . TYR A 1 6 ? 8.312 9.672 -4.470 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 16 +ATOM 24014 C CA . TYR A 1 6 ? 8.574 8.409 -5.112 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 16 +ATOM 24015 C C . TYR A 1 6 ? 7.477 8.186 -6.136 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 16 +ATOM 24016 O O . TYR A 1 6 ? 6.532 8.982 -6.216 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 16 +ATOM 24017 C CB . TYR A 1 6 ? 8.530 7.250 -4.092 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 16 +ATOM 24018 C CG . TYR A 1 6 ? 9.638 7.190 -3.039 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 16 +ATOM 24019 C CD1 . TYR A 1 6 ? 9.846 8.226 -2.142 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 16 +ATOM 24020 C CD2 . TYR A 1 6 ? 10.449 6.065 -2.931 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 16 +ATOM 24021 C CE1 . TYR A 1 6 ? 10.824 8.152 -1.172 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 16 +ATOM 24022 C CE2 . TYR A 1 6 ? 11.425 5.977 -1.955 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 16 +ATOM 24023 C CZ . TYR A 1 6 ? 11.609 7.024 -1.081 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 16 +ATOM 24024 O OH . TYR A 1 6 ? 12.574 6.937 -0.095 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 16 +ATOM 24025 H H . TYR A 1 6 ? 7.424 9.813 -4.081 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 16 +ATOM 24026 H HA . TYR A 1 6 ? 9.542 8.440 -5.590 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 16 +ATOM 24027 H HB2 . TYR A 1 6 ? 7.596 7.309 -3.554 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 16 +ATOM 24028 H HB3 . TYR A 1 6 ? 8.543 6.320 -4.642 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 16 +ATOM 24029 H HD1 . TYR A 1 6 ? 9.230 9.111 -2.212 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 16 +ATOM 24030 H HD2 . TYR A 1 6 ? 10.305 5.246 -3.620 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 16 +ATOM 24031 H HE1 . TYR A 1 6 ? 10.957 8.978 -0.490 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 16 +ATOM 24032 H HE2 . TYR A 1 6 ? 12.042 5.096 -1.884 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 16 +ATOM 24033 H HH . TYR A 1 6 ? 13.389 6.573 -0.480 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 16 +ATOM 24034 N N . PHE A 1 7 ? 7.596 7.153 -6.912 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 16 +ATOM 24035 C CA . PHE A 1 7 ? 6.542 6.772 -7.822 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 16 +ATOM 24036 C C . PHE A 1 7 ? 5.576 5.877 -7.063 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 16 +ATOM 24037 O O . PHE A 1 7 ? 5.944 5.315 -6.041 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 16 +ATOM 24038 C CB . PHE A 1 7 ? 7.108 6.022 -9.035 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 16 +ATOM 24039 C CG . PHE A 1 7 ? 8.058 6.825 -9.872 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 16 +ATOM 24040 C CD1 . PHE A 1 7 ? 7.582 7.797 -10.733 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 16 +ATOM 24041 C CD2 . PHE A 1 7 ? 9.425 6.610 -9.799 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 16 +ATOM 24042 C CE1 . PHE A 1 7 ? 8.448 8.541 -11.506 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 16 +ATOM 24043 C CE2 . PHE A 1 7 ? 10.298 7.349 -10.570 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 16 +ATOM 24044 C CZ . PHE A 1 7 ? 9.809 8.316 -11.427 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 16 +ATOM 24045 H H . PHE A 1 7 ? 8.426 6.626 -6.871 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 16 +ATOM 24046 H HA . PHE A 1 7 ? 6.028 7.665 -8.147 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 16 +ATOM 24047 H HB2 . PHE A 1 7 ? 7.656 5.162 -8.680 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 16 +ATOM 24048 H HB3 . PHE A 1 7 ? 6.297 5.687 -9.665 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 16 +ATOM 24049 H HD1 . PHE A 1 7 ? 6.518 7.971 -10.794 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 16 +ATOM 24050 H HD2 . PHE A 1 7 ? 9.808 5.854 -9.128 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 16 +ATOM 24051 H HE1 . PHE A 1 7 ? 8.059 9.294 -12.173 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 16 +ATOM 24052 H HE2 . PHE A 1 7 ? 11.361 7.172 -10.501 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 16 +ATOM 24053 H HZ . PHE A 1 7 ? 10.488 8.897 -12.034 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 16 +ATOM 24054 N N . LEU A 1 8 ? 4.371 5.745 -7.532 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 16 +ATOM 24055 C CA . LEU A 1 8 ? 3.395 4.903 -6.865 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 16 +ATOM 24056 C C . LEU A 1 8 ? 2.892 3.905 -7.897 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 16 +ATOM 24057 O O . LEU A 1 8 ? 2.470 4.300 -8.989 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 16 +ATOM 24058 C CB . LEU A 1 8 ? 2.224 5.781 -6.315 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 16 +ATOM 24059 C CG . LEU A 1 8 ? 1.292 5.191 -5.201 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 16 +ATOM 24060 C CD1 . LEU A 1 8 ? 0.559 3.934 -5.631 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 16 +ATOM 24061 C CD2 . LEU A 1 8 ? 2.058 4.940 -3.915 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 16 +ATOM 24062 H H . LEU A 1 8 ? 4.108 6.201 -8.359 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 16 +ATOM 24063 H HA . LEU A 1 8 ? 3.880 4.379 -6.055 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 16 +ATOM 24064 H HB2 . LEU A 1 8 ? 2.653 6.694 -5.931 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 16 +ATOM 24065 H HB3 . LEU A 1 8 ? 1.605 6.048 -7.158 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 16 +ATOM 24066 H HG . LEU A 1 8 ? 0.532 5.928 -4.988 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 16 +ATOM 24067 H HD11 . LEU A 1 8 ? -0.005 3.550 -4.794 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 16 +ATOM 24068 H HD12 . LEU A 1 8 ? 1.278 3.191 -5.945 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 16 +ATOM 24069 H HD13 . LEU A 1 8 ? -0.113 4.163 -6.446 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 16 +ATOM 24070 H HD21 . LEU A 1 8 ? 2.496 5.862 -3.563 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 16 +ATOM 24071 H HD22 . LEU A 1 8 ? 2.832 4.210 -4.096 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 16 +ATOM 24072 H HD23 . LEU A 1 8 ? 1.382 4.556 -3.167 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 16 +ATOM 24073 N N . ASP A 1 9 ? 2.969 2.639 -7.587 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 16 +ATOM 24074 C CA . ASP A 1 9 ? 2.530 1.612 -8.500 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 16 +ATOM 24075 C C . ASP A 1 9 ? 1.742 0.571 -7.716 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 16 +ATOM 24076 O O . ASP A 1 9 ? 1.790 0.540 -6.476 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 16 +ATOM 24077 C CB . ASP A 1 9 ? 3.739 0.950 -9.169 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 16 +ATOM 24078 C CG . ASP A 1 9 ? 3.440 0.352 -10.541 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 16 +ATOM 24079 O OD1 . ASP A 1 9 ? 2.329 -0.161 -10.787 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 16 +ATOM 24080 O OD2 . ASP A 1 9 ? 4.310 0.441 -11.430 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 16 +ATOM 24081 H H . ASP A 1 9 ? 3.328 2.357 -6.713 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 16 +ATOM 24082 H HA . ASP A 1 9 ? 1.900 2.060 -9.254 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 16 +ATOM 24083 H HB2 . ASP A 1 9 ? 4.520 1.688 -9.288 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 16 +ATOM 24084 H HB3 . ASP A 1 9 ? 4.103 0.162 -8.526 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 16 +ATOM 24085 N N . PHE A 1 10 ? 1.060 -0.279 -8.413 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 16 +ATOM 24086 C CA . PHE A 1 10 ? 0.227 -1.283 -7.809 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 16 +ATOM 24087 C C . PHE A 1 10 ? 0.582 -2.626 -8.387 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 16 +ATOM 24088 O O . PHE A 1 10 ? 0.878 -2.741 -9.590 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 16 +ATOM 24089 C CB . PHE A 1 10 ? -1.267 -1.019 -8.088 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 16 +ATOM 24090 C CG . PHE A 1 10 ? -1.829 0.269 -7.538 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 16 +ATOM 24091 C CD1 . PHE A 1 10 ? -1.788 1.437 -8.285 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 16 +ATOM 24092 C CD2 . PHE A 1 10 ? -2.418 0.301 -6.287 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 16 +ATOM 24093 C CE1 . PHE A 1 10 ? -2.319 2.611 -7.789 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 16 +ATOM 24094 C CE2 . PHE A 1 10 ? -2.954 1.473 -5.787 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 16 +ATOM 24095 C CZ . PHE A 1 10 ? -2.903 2.629 -6.537 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 16 +ATOM 24096 H H . PHE A 1 10 ? 1.166 -0.269 -9.393 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 16 +ATOM 24097 H HA . PHE A 1 10 ? 0.393 -1.281 -6.742 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 16 +ATOM 24098 H HB2 . PHE A 1 10 ? -1.417 -1.001 -9.157 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 16 +ATOM 24099 H HB3 . PHE A 1 10 ? -1.843 -1.837 -7.677 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 16 +ATOM 24100 H HD1 . PHE A 1 10 ? -1.332 1.422 -9.264 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 16 +ATOM 24101 H HD2 . PHE A 1 10 ? -2.456 -0.602 -5.697 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 16 +ATOM 24102 H HE1 . PHE A 1 10 ? -2.277 3.515 -8.378 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 16 +ATOM 24103 H HE2 . PHE A 1 10 ? -3.412 1.482 -4.808 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 16 +ATOM 24104 H HZ . PHE A 1 10 ? -3.323 3.545 -6.147 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 16 +ATOM 24105 N N . ASP A 1 11 ? 0.589 -3.630 -7.563 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 16 +ATOM 24106 C CA . ASP A 1 11 ? 0.778 -4.975 -8.044 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 16 +ATOM 24107 C C . ASP A 1 11 ? -0.553 -5.466 -8.589 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 16 +ATOM 24108 O O . ASP A 1 11 ? -1.605 -4.961 -8.187 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 16 +ATOM 24109 C CB . ASP A 1 11 ? 1.279 -5.908 -6.940 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 16 +ATOM 24110 C CG . ASP A 1 11 ? 1.528 -7.307 -7.452 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 16 +ATOM 24111 O OD1 . ASP A 1 11 ? 2.649 -7.596 -7.925 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 16 +ATOM 24112 O OD2 . ASP A 1 11 ? 0.619 -8.147 -7.397 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 16 +ATOM 24113 H H . ASP A 1 11 ? 0.463 -3.478 -6.600 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 16 +ATOM 24114 H HA . ASP A 1 11 ? 1.494 -4.941 -8.853 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 16 +ATOM 24115 H HB2 . ASP A 1 11 ? 2.203 -5.520 -6.537 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 16 +ATOM 24116 H HB3 . ASP A 1 11 ? 0.538 -5.957 -6.156 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 16 +ATOM 24117 N N . GLU A 1 12 ? -0.520 -6.414 -9.505 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 16 +ATOM 24118 C CA . GLU A 1 12 ? -1.726 -6.946 -10.112 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 16 +ATOM 24119 C C . GLU A 1 12 ? -2.699 -7.537 -9.082 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 16 +ATOM 24120 O O . GLU A 1 12 ? -3.904 -7.557 -9.323 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 16 +ATOM 24121 C CB . GLU A 1 12 ? -1.406 -7.991 -11.161 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 16 +ATOM 24122 C CG . GLU A 1 12 ? -0.592 -9.151 -10.645 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 16 +ATOM 24123 C CD . GLU A 1 12 ? -0.585 -10.285 -11.602 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 16 +ATOM 24124 O OE1 . GLU A 1 12 ? 0.107 -10.209 -12.635 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 16 +ATOM 24125 O OE2 . GLU A 1 12 ? -1.291 -11.265 -11.361 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 16 +ATOM 24126 H H . GLU A 1 12 ? 0.348 -6.784 -9.769 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 16 +ATOM 24127 H HA . GLU A 1 12 ? -2.223 -6.122 -10.600 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 16 +ATOM 24128 H HB2 . GLU A 1 12 ? -2.333 -8.386 -11.550 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 16 +ATOM 24129 H HB3 . GLU A 1 12 ? -0.858 -7.527 -11.968 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 16 +ATOM 24130 H HG2 . GLU A 1 12 ? 0.424 -8.825 -10.482 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 16 +ATOM 24131 H HG3 . GLU A 1 12 ? -1.018 -9.486 -9.710 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 16 +ATOM 24132 N N . ARG A 1 13 ? -2.185 -8.050 -7.962 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 16 +ATOM 24133 C CA . ARG A 1 13 ? -3.071 -8.583 -6.926 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 16 +ATOM 24134 C C . ARG A 1 13 ? -3.823 -7.428 -6.320 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 16 +ATOM 24135 O O . ARG A 1 13 ? -5.051 -7.435 -6.248 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 16 +ATOM 24136 C CB . ARG A 1 13 ? -2.312 -9.283 -5.808 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 16 +ATOM 24137 C CG . ARG A 1 13 ? -1.317 -10.325 -6.245 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 16 +ATOM 24138 C CD . ARG A 1 13 ? -0.784 -11.078 -5.047 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 16 +ATOM 24139 N NE . ARG A 1 13 ? -1.734 -12.085 -4.548 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 16 +ATOM 24140 C CZ . ARG A 1 13 ? -2.435 -12.021 -3.398 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 16 +ATOM 24141 N NH1 . ARG A 1 13 ? -2.643 -10.852 -2.774 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 16 +ATOM 24142 N NH2 . ARG A 1 13 ? -3.002 -13.117 -2.920 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 16 +ATOM 24143 H H . ARG A 1 13 ? -1.206 -8.062 -7.831 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 16 +ATOM 24144 H HA . ARG A 1 13 ? -3.768 -9.267 -7.387 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 16 +ATOM 24145 H HB2 . ARG A 1 13 ? -1.779 -8.534 -5.241 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 16 +ATOM 24146 H HB3 . ARG A 1 13 ? -3.029 -9.755 -5.153 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 16 +ATOM 24147 H HG2 . ARG A 1 13 ? -1.791 -11.021 -6.919 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 16 +ATOM 24148 H HG3 . ARG A 1 13 ? -0.496 -9.829 -6.742 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 16 +ATOM 24149 H HD2 . ARG A 1 13 ? 0.134 -11.575 -5.322 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 16 +ATOM 24150 H HD3 . ARG A 1 13 ? -0.581 -10.372 -4.255 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 16 +ATOM 24151 H HE . ARG A 1 13 ? -1.739 -12.910 -5.084 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 16 +ATOM 24152 H HH11 . ARG A 1 13 ? -2.314 -9.966 -3.108 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 16 +ATOM 24153 H HH12 . ARG A 1 13 ? -3.172 -10.824 -1.921 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 16 +ATOM 24154 H HH21 . ARG A 1 13 ? -2.935 -14.006 -3.380 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 16 +ATOM 24155 H HH22 . ARG A 1 13 ? -3.500 -13.081 -2.038 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 16 +ATOM 24156 N N . ALA A 1 14 ? -3.062 -6.397 -5.983 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 16 +ATOM 24157 C CA . ALA A 1 14 ? -3.571 -5.199 -5.358 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 16 +ATOM 24158 C C . ALA A 1 14 ? -4.579 -4.495 -6.244 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 16 +ATOM 24159 O O . ALA A 1 14 ? -5.454 -3.831 -5.755 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 16 +ATOM 24160 C CB . ALA A 1 14 ? -2.433 -4.262 -4.995 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 16 +ATOM 24161 H H . ALA A 1 14 ? -2.101 -6.452 -6.164 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 16 +ATOM 24162 H HA . ALA A 1 14 ? -4.063 -5.494 -4.443 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 16 +ATOM 24163 H HB1 . ALA A 1 14 ? -2.828 -3.402 -4.474 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 16 +ATOM 24164 H HB2 . ALA A 1 14 ? -1.934 -3.935 -5.895 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 16 +ATOM 24165 H HB3 . ALA A 1 14 ? -1.728 -4.776 -4.358 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 16 +ATOM 24166 N N . LEU A 1 15 ? -4.462 -4.666 -7.554 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 16 +ATOM 24167 C CA . LEU A 1 15 ? -5.383 -4.048 -8.484 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 16 +ATOM 24168 C C . LEU A 1 15 ? -6.739 -4.695 -8.410 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 16 +ATOM 24169 O O . LEU A 1 15 ? -7.767 -4.021 -8.486 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 16 +ATOM 24170 C CB . LEU A 1 15 ? -4.849 -4.090 -9.910 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 16 +ATOM 24171 C CG . LEU A 1 15 ? -3.754 -3.083 -10.251 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 16 +ATOM 24172 C CD1 . LEU A 1 15 ? -3.259 -3.305 -11.671 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 16 +ATOM 24173 C CD2 . LEU A 1 15 ? -4.291 -1.659 -10.100 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 16 +ATOM 24174 H H . LEU A 1 15 ? -3.746 -5.242 -7.899 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 16 +ATOM 24175 H HA . LEU A 1 15 ? -5.491 -3.016 -8.186 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 16 +ATOM 24176 H HB2 . LEU A 1 15 ? -4.458 -5.083 -10.082 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 16 +ATOM 24177 H HB3 . LEU A 1 15 ? -5.680 -3.937 -10.577 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 16 +ATOM 24178 H HG . LEU A 1 15 ? -2.923 -3.205 -9.572 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 16 +ATOM 24179 H HD11 . LEU A 1 15 ? -4.082 -3.183 -12.358 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 16 +ATOM 24180 H HD12 . LEU A 1 15 ? -2.858 -4.303 -11.766 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 16 +ATOM 24181 H HD13 . LEU A 1 15 ? -2.489 -2.584 -11.902 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 16 +ATOM 24182 H HD21 . LEU A 1 15 ? -4.578 -1.469 -9.077 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 16 +ATOM 24183 H HD22 . LEU A 1 15 ? -5.161 -1.537 -10.729 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 16 +ATOM 24184 H HD23 . LEU A 1 15 ? -3.530 -0.953 -10.401 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 16 +ATOM 24185 N N . LYS A 1 16 ? -6.741 -5.991 -8.226 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 16 +ATOM 24186 C CA . LYS A 1 16 ? -7.966 -6.742 -8.100 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 16 +ATOM 24187 C C . LYS A 1 16 ? -8.667 -6.309 -6.819 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 16 +ATOM 24188 O O . LYS A 1 16 ? -9.871 -6.058 -6.800 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 16 +ATOM 24189 C CB . LYS A 1 16 ? -7.644 -8.228 -8.035 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 16 +ATOM 24190 C CG . LYS A 1 16 ? -6.897 -8.760 -9.242 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 16 +ATOM 24191 C CD . LYS A 1 16 ? -6.475 -10.188 -9.005 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 16 +ATOM 24192 C CE . LYS A 1 16 ? -5.822 -10.810 -10.235 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 16 +ATOM 24193 N NZ . LYS A 1 16 ? -4.490 -10.235 -10.523 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 16 +ATOM 24194 H H . LYS A 1 16 ? -5.887 -6.469 -8.155 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 16 +ATOM 24195 H HA . LYS A 1 16 ? -8.582 -6.538 -8.963 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 16 +ATOM 24196 H HB2 . LYS A 1 16 ? -7.032 -8.406 -7.163 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 16 +ATOM 24197 H HB3 . LYS A 1 16 ? -8.564 -8.783 -7.934 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 16 +ATOM 24198 H HG2 . LYS A 1 16 ? -7.539 -8.719 -10.110 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 16 +ATOM 24199 H HG3 . LYS A 1 16 ? -6.018 -8.155 -9.410 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 16 +ATOM 24200 H HD2 . LYS A 1 16 ? -5.738 -10.123 -8.219 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 16 +ATOM 24201 H HD3 . LYS A 1 16 ? -7.321 -10.774 -8.681 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 16 +ATOM 24202 H HE2 . LYS A 1 16 ? -5.712 -11.872 -10.074 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 16 +ATOM 24203 H HE3 . LYS A 1 16 ? -6.467 -10.650 -11.087 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 16 +ATOM 24204 H HZ1 . LYS A 1 16 ? -3.832 -10.513 -9.767 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 16 +ATOM 24205 H HZ2 . LYS A 1 16 ? -4.542 -9.196 -10.573 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 16 +ATOM 24206 H HZ3 . LYS A 1 16 ? -4.139 -10.607 -11.430 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 16 +ATOM 24207 N N . GLU A 1 17 ? -7.872 -6.169 -5.787 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 16 +ATOM 24208 C CA . GLU A 1 17 ? -8.312 -5.753 -4.471 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 16 +ATOM 24209 C C . GLU A 1 17 ? -8.816 -4.291 -4.493 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 16 +ATOM 24210 O O . GLU A 1 17 ? -9.861 -3.966 -3.941 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 16 +ATOM 24211 C CB . GLU A 1 17 ? -7.132 -5.924 -3.519 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 16 +ATOM 24212 C CG . GLU A 1 17 ? -6.658 -7.368 -3.427 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 16 +ATOM 24213 C CD . GLU A 1 17 ? -5.351 -7.547 -2.699 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 16 +ATOM 24214 O OE1 . GLU A 1 17 ? -5.182 -6.964 -1.607 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 16 +ATOM 24215 O OE2 . GLU A 1 17 ? -4.498 -8.325 -3.184 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 16 +ATOM 24216 H H . GLU A 1 17 ? -6.920 -6.375 -5.910 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 16 +ATOM 24217 H HA . GLU A 1 17 ? -9.113 -6.403 -4.152 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 16 +ATOM 24218 H HB2 . GLU A 1 17 ? -6.312 -5.315 -3.872 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 16 +ATOM 24219 H HB3 . GLU A 1 17 ? -7.417 -5.593 -2.532 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 16 +ATOM 24220 H HG2 . GLU A 1 17 ? -7.406 -7.938 -2.901 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 16 +ATOM 24221 H HG3 . GLU A 1 17 ? -6.554 -7.754 -4.429 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 16 +ATOM 24222 N N . TRP A 1 18 ? -8.081 -3.446 -5.178 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 16 +ATOM 24223 C CA . TRP A 1 18 ? -8.390 -2.021 -5.337 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 16 +ATOM 24224 C C . TRP A 1 18 ? -9.716 -1.831 -6.090 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 16 +ATOM 24225 O O . TRP A 1 18 ? -10.525 -0.960 -5.752 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 16 +ATOM 24226 C CB . TRP A 1 18 ? -7.224 -1.370 -6.101 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 16 +ATOM 24227 C CG . TRP A 1 18 ? -7.306 0.101 -6.316 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 16 +ATOM 24228 C CD1 . TRP A 1 18 ? -7.740 0.740 -7.436 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 16 +ATOM 24229 C CD2 . TRP A 1 18 ? -6.903 1.119 -5.401 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 16 +ATOM 24230 N NE1 . TRP A 1 18 ? -7.646 2.095 -7.269 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 16 +ATOM 24231 C CE2 . TRP A 1 18 ? -7.131 2.356 -6.027 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 16 +ATOM 24232 C CE3 . TRP A 1 18 ? -6.374 1.102 -4.108 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 16 +ATOM 24233 C CZ2 . TRP A 1 18 ? -6.847 3.563 -5.405 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 16 +ATOM 24234 C CZ3 . TRP A 1 18 ? -6.093 2.299 -3.493 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 16 +ATOM 24235 C CH2 . TRP A 1 18 ? -6.327 3.511 -4.139 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 16 +ATOM 24236 H H . TRP A 1 18 ? -7.244 -3.776 -5.575 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 16 +ATOM 24237 H HA . TRP A 1 18 ? -8.473 -1.563 -4.361 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 16 +ATOM 24238 H HB2 . TRP A 1 18 ? -6.309 -1.557 -5.560 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 16 +ATOM 24239 H HB3 . TRP A 1 18 ? -7.151 -1.847 -7.067 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 16 +ATOM 24240 H HD1 . TRP A 1 18 ? -8.103 0.234 -8.319 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 16 +ATOM 24241 H HE1 . TRP A 1 18 ? -7.909 2.752 -7.953 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 16 +ATOM 24242 H HE3 . TRP A 1 18 ? -6.187 0.174 -3.591 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 16 +ATOM 24243 H HZ2 . TRP A 1 18 ? -7.024 4.509 -5.893 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 16 +ATOM 24244 H HZ3 . TRP A 1 18 ? -5.681 2.308 -2.494 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 16 +ATOM 24245 H HH2 . TRP A 1 18 ? -6.089 4.424 -3.612 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 16 +ATOM 24246 N N . ARG A 1 19 ? -9.924 -2.628 -7.115 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 16 +ATOM 24247 C CA . ARG A 1 19 ? -11.164 -2.572 -7.873 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 16 +ATOM 24248 C C . ARG A 1 19 ? -12.309 -3.216 -7.114 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 16 +ATOM 24249 O O . ARG A 1 19 ? -13.470 -2.897 -7.342 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 16 +ATOM 24250 C CB . ARG A 1 19 ? -10.997 -3.163 -9.257 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 16 +ATOM 24251 C CG . ARG A 1 19 ? -10.025 -2.379 -10.106 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 16 +ATOM 24252 C CD . ARG A 1 19 ? -9.850 -3.003 -11.461 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 16 +ATOM 24253 N NE . ARG A 1 19 ? -8.879 -2.264 -12.260 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 16 +ATOM 24254 C CZ . ARG A 1 19 ? -8.587 -2.490 -13.542 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 16 +ATOM 24255 N NH1 . ARG A 1 19 ? -9.268 -3.408 -14.236 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 16 +ATOM 24256 N NH2 . ARG A 1 19 ? -7.621 -1.779 -14.131 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 16 +ATOM 24257 H H . ARG A 1 19 ? -9.216 -3.258 -7.377 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 16 +ATOM 24258 H HA . ARG A 1 19 ? -11.401 -1.523 -7.972 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 16 +ATOM 24259 H HB2 . ARG A 1 19 ? -10.627 -4.173 -9.161 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 16 +ATOM 24260 H HB3 . ARG A 1 19 ? -11.953 -3.178 -9.756 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 16 +ATOM 24261 H HG2 . ARG A 1 19 ? -10.398 -1.374 -10.229 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 16 +ATOM 24262 H HG3 . ARG A 1 19 ? -9.069 -2.349 -9.604 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 16 +ATOM 24263 H HD2 . ARG A 1 19 ? -9.512 -4.020 -11.327 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 16 +ATOM 24264 H HD3 . ARG A 1 19 ? -10.805 -3.000 -11.966 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 16 +ATOM 24265 H HE . ARG A 1 19 ? -8.411 -1.551 -11.766 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 16 +ATOM 24266 H HH11 . ARG A 1 19 ? -10.005 -3.948 -13.821 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 16 +ATOM 24267 H HH12 . ARG A 1 19 ? -9.078 -3.571 -15.207 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 16 +ATOM 24268 H HH21 . ARG A 1 19 ? -7.107 -1.076 -13.628 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 16 +ATOM 24269 H HH22 . ARG A 1 19 ? -7.350 -1.899 -15.089 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 16 +ATOM 24270 N N . LYS A 1 20 ? -11.973 -4.125 -6.212 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 16 +ATOM 24271 C CA . LYS A 1 20 ? -12.951 -4.751 -5.328 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 16 +ATOM 24272 C C . LYS A 1 20 ? -13.491 -3.691 -4.354 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 16 +ATOM 24273 O O . LYS A 1 20 ? -14.654 -3.742 -3.919 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 16 +ATOM 24274 C CB . LYS A 1 20 ? -12.299 -5.903 -4.565 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 16 +ATOM 24275 C CG . LYS A 1 20 ? -13.238 -6.667 -3.663 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 16 +ATOM 24276 C CD . LYS A 1 20 ? -12.501 -7.741 -2.903 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 16 +ATOM 24277 C CE . LYS A 1 20 ? -13.441 -8.522 -2.012 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 16 +ATOM 24278 N NZ . LYS A 1 20 ? -14.450 -9.282 -2.786 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 16 +ATOM 24279 H H . LYS A 1 20 ? -11.032 -4.401 -6.148 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 16 +ATOM 24280 H HA . LYS A 1 20 ? -13.765 -5.124 -5.930 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 16 +ATOM 24281 H HB2 . LYS A 1 20 ? -11.880 -6.598 -5.278 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 16 +ATOM 24282 H HB3 . LYS A 1 20 ? -11.498 -5.502 -3.961 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 16 +ATOM 24283 H HG2 . LYS A 1 20 ? -13.685 -5.981 -2.958 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 16 +ATOM 24284 H HG3 . LYS A 1 20 ? -14.011 -7.121 -4.266 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 16 +ATOM 24285 H HD2 . LYS A 1 20 ? -12.044 -8.419 -3.609 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 16 +ATOM 24286 H HD3 . LYS A 1 20 ? -11.738 -7.281 -2.293 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 16 +ATOM 24287 H HE2 . LYS A 1 20 ? -12.864 -9.208 -1.410 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 16 +ATOM 24288 H HE3 . LYS A 1 20 ? -13.949 -7.816 -1.371 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 16 +ATOM 24289 H HZ1 . LYS A 1 20 ? -15.051 -8.673 -3.378 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 16 +ATOM 24290 H HZ2 . LYS A 1 20 ? -15.065 -9.833 -2.155 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 16 +ATOM 24291 H HZ3 . LYS A 1 20 ? -13.975 -9.962 -3.415 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 16 +ATOM 24292 N N . LEU A 1 21 ? -12.631 -2.747 -4.013 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 16 +ATOM 24293 C CA . LEU A 1 21 ? -13.013 -1.597 -3.219 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 16 +ATOM 24294 C C . LEU A 1 21 ? -14.004 -0.770 -3.977 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 16 +ATOM 24295 O O . LEU A 1 21 ? -13.874 -0.610 -5.192 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 16 +ATOM 24296 C CB . LEU A 1 21 ? -11.801 -0.758 -2.825 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 16 +ATOM 24297 C CG . LEU A 1 21 ? -11.183 -1.057 -1.464 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 16 +ATOM 24298 C CD1 . LEU A 1 21 ? -10.951 -2.534 -1.261 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 16 +ATOM 24299 C CD2 . LEU A 1 21 ? -9.897 -0.290 -1.307 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 16 +ATOM 24300 H H . LEU A 1 21 ? -11.702 -2.841 -4.314 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 16 +ATOM 24301 H HA . LEU A 1 21 ? -13.492 -1.965 -2.325 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 16 +ATOM 24302 H HB2 . LEU A 1 21 ? -11.040 -0.896 -3.578 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 16 +ATOM 24303 H HB3 . LEU A 1 21 ? -12.102 0.279 -2.836 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 16 +ATOM 24304 H HG . LEU A 1 21 ? -11.859 -0.720 -0.697 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 16 +ATOM 24305 H HD11 . LEU A 1 21 ? -11.919 -3.010 -1.333 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 16 +ATOM 24306 H HD12 . LEU A 1 21 ? -10.526 -2.705 -0.284 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 16 +ATOM 24307 H HD13 . LEU A 1 21 ? -10.300 -2.913 -2.033 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 16 +ATOM 24308 H HD21 . LEU A 1 21 ? -9.463 -0.511 -0.344 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 16 +ATOM 24309 H HD22 . LEU A 1 21 ? -10.125 0.764 -1.368 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 16 +ATOM 24310 H HD23 . LEU A 1 21 ? -9.211 -0.564 -2.094 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 16 +ATOM 24311 N N . GLY A 1 22 ? -14.967 -0.253 -3.252 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 16 +ATOM 24312 C CA . GLY A 1 22 ? -16.103 0.449 -3.842 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 16 +ATOM 24313 C C . GLY A 1 22 ? -15.725 1.617 -4.726 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 16 +ATOM 24314 O O . GLY A 1 22 ? -15.657 1.490 -5.949 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 16 +ATOM 24315 H H . GLY A 1 22 ? -14.893 -0.361 -2.276 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 16 +ATOM 24316 H HA2 . GLY A 1 22 ? -16.684 -0.249 -4.427 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 16 +ATOM 24317 H HA3 . GLY A 1 22 ? -16.718 0.816 -3.034 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 16 +ATOM 24318 N N . SER A 1 23 ? -15.494 2.736 -4.119 1.00 0.00 ? ? ? ? ? ? 20 SER A N 16 +ATOM 24319 C CA . SER A 1 23 ? -15.132 3.924 -4.822 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 16 +ATOM 24320 C C . SER A 1 23 ? -14.552 4.906 -3.823 1.00 0.00 ? ? ? ? ? ? 20 SER A C 16 +ATOM 24321 O O . SER A 1 23 ? -13.376 5.225 -3.873 1.00 0.00 ? ? ? ? ? ? 20 SER A O 16 +ATOM 24322 C CB . SER A 1 23 ? -16.367 4.522 -5.540 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 16 +ATOM 24323 O OG . SER A 1 23 ? -16.019 5.641 -6.323 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 16 +ATOM 24324 H H . SER A 1 23 ? -15.578 2.765 -3.143 1.00 0.00 ? ? ? ? ? ? 20 SER A H 16 +ATOM 24325 H HA . SER A 1 23 ? -14.379 3.672 -5.554 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 16 +ATOM 24326 H HB2 . SER A 1 23 ? -16.805 3.775 -6.185 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 16 +ATOM 24327 H HB3 . SER A 1 23 ? -17.093 4.824 -4.800 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 16 +ATOM 24328 H HG . SER A 1 23 ? -16.814 5.966 -6.764 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 16 +ATOM 24329 N N . THR A 1 24 ? -15.357 5.276 -2.862 1.00 0.00 ? ? ? ? ? ? 21 THR A N 16 +ATOM 24330 C CA . THR A 1 24 ? -14.995 6.248 -1.859 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 16 +ATOM 24331 C C . THR A 1 24 ? -13.814 5.734 -1.017 1.00 0.00 ? ? ? ? ? ? 21 THR A C 16 +ATOM 24332 O O . THR A 1 24 ? -12.817 6.427 -0.852 1.00 0.00 ? ? ? ? ? ? 21 THR A O 16 +ATOM 24333 C CB . THR A 1 24 ? -16.225 6.539 -0.975 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 16 +ATOM 24334 O OG1 . THR A 1 24 ? -17.381 6.664 -1.840 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 16 +ATOM 24335 C CG2 . THR A 1 24 ? -16.060 7.842 -0.221 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 16 +ATOM 24336 H H . THR A 1 24 ? -16.251 4.884 -2.816 1.00 0.00 ? ? ? ? ? ? 21 THR A H 16 +ATOM 24337 H HA . THR A 1 24 ? -14.693 7.161 -2.350 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 16 +ATOM 24338 H HB . THR A 1 24 ? -16.366 5.723 -0.282 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 16 +ATOM 24339 H HG1 . THR A 1 24 ? -17.101 7.200 -2.597 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 16 +ATOM 24340 H HG21 . THR A 1 24 ? -15.166 7.802 0.384 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 16 +ATOM 24341 H HG22 . THR A 1 24 ? -16.918 7.995 0.417 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 16 +ATOM 24342 H HG23 . THR A 1 24 ? -15.986 8.658 -0.926 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 16 +ATOM 24343 N N . VAL A 1 25 ? -13.896 4.474 -0.605 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 16 +ATOM 24344 C CA . VAL A 1 25 ? -12.864 3.846 0.209 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 16 +ATOM 24345 C C . VAL A 1 25 ? -11.520 3.858 -0.512 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 16 +ATOM 24346 O O . VAL A 1 25 ? -10.506 4.272 0.055 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 16 +ATOM 24347 C CB . VAL A 1 25 ? -13.261 2.386 0.562 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 16 +ATOM 24348 C CG1 . VAL A 1 25 ? -12.105 1.628 1.176 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 16 +ATOM 24349 C CG2 . VAL A 1 25 ? -14.435 2.377 1.519 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 16 +ATOM 24350 H H . VAL A 1 25 ? -14.688 3.949 -0.849 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 16 +ATOM 24351 H HA . VAL A 1 25 ? -12.774 4.408 1.128 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 16 +ATOM 24352 H HB . VAL A 1 25 ? -13.565 1.879 -0.342 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 16 +ATOM 24353 H HG11 . VAL A 1 25 ? -12.420 0.616 1.390 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 16 +ATOM 24354 H HG12 . VAL A 1 25 ? -11.797 2.112 2.092 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 16 +ATOM 24355 H HG13 . VAL A 1 25 ? -11.280 1.606 0.480 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 16 +ATOM 24356 H HG21 . VAL A 1 25 ? -15.272 2.892 1.074 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 16 +ATOM 24357 H HG22 . VAL A 1 25 ? -14.157 2.861 2.444 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 16 +ATOM 24358 H HG23 . VAL A 1 25 ? -14.709 1.351 1.712 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 16 +ATOM 24359 N N . ARG A 1 26 ? -11.522 3.463 -1.768 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 16 +ATOM 24360 C CA . ARG A 1 26 ? -10.292 3.463 -2.525 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 16 +ATOM 24361 C C . ARG A 1 26 ? -9.799 4.877 -2.790 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 16 +ATOM 24362 O O . ARG A 1 26 ? -8.609 5.120 -2.801 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 16 +ATOM 24363 C CB . ARG A 1 26 ? -10.362 2.650 -3.808 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 16 +ATOM 24364 C CG . ARG A 1 26 ? -11.473 3.030 -4.749 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 16 +ATOM 24365 C CD . ARG A 1 26 ? -11.197 2.471 -6.110 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 16 +ATOM 24366 N NE . ARG A 1 26 ? -12.198 2.872 -7.102 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 16 +ATOM 24367 C CZ . ARG A 1 26 ? -12.743 2.050 -8.017 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 16 +ATOM 24368 N NH1 . ARG A 1 26 ? -12.559 0.724 -7.938 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 16 +ATOM 24369 N NH2 . ARG A 1 26 ? -13.513 2.554 -8.979 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 16 +ATOM 24370 H H . ARG A 1 26 ? -12.370 3.187 -2.174 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 16 +ATOM 24371 H HA . ARG A 1 26 ? -9.559 3.010 -1.869 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 16 +ATOM 24372 H HB2 . ARG A 1 26 ? -9.428 2.767 -4.336 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 16 +ATOM 24373 H HB3 . ARG A 1 26 ? -10.476 1.608 -3.548 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 16 +ATOM 24374 H HG2 . ARG A 1 26 ? -12.374 2.569 -4.367 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 16 +ATOM 24375 H HG3 . ARG A 1 26 ? -11.626 4.099 -4.782 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 16 +ATOM 24376 H HD2 . ARG A 1 26 ? -10.229 2.861 -6.396 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 16 +ATOM 24377 H HD3 . ARG A 1 26 ? -11.151 1.394 -6.047 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 16 +ATOM 24378 H HE . ARG A 1 26 ? -12.414 3.834 -7.114 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 16 +ATOM 24379 H HH11 . ARG A 1 26 ? -12.027 0.299 -7.201 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 16 +ATOM 24380 H HH12 . ARG A 1 26 ? -12.944 0.110 -8.634 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 16 +ATOM 24381 H HH21 . ARG A 1 26 ? -13.701 3.536 -9.038 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 16 +ATOM 24382 H HH22 . ARG A 1 26 ? -13.918 1.965 -9.684 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 16 +ATOM 24383 N N . GLU A 1 27 ? -10.718 5.801 -3.000 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 16 +ATOM 24384 C CA . GLU A 1 27 ? -10.352 7.178 -3.229 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 16 +ATOM 24385 C C . GLU A 1 27 ? -9.664 7.799 -2.032 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 16 +ATOM 24386 O O . GLU A 1 27 ? -8.668 8.500 -2.208 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 16 +ATOM 24387 C CB . GLU A 1 27 ? -11.513 8.018 -3.706 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 16 +ATOM 24388 C CG . GLU A 1 27 ? -11.915 7.716 -5.132 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 16 +ATOM 24389 C CD . GLU A 1 27 ? -12.955 8.657 -5.638 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 16 +ATOM 24390 O OE1 . GLU A 1 27 ? -12.617 9.828 -5.908 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 16 +ATOM 24391 O OE2 . GLU A 1 27 ? -14.112 8.261 -5.790 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 16 +ATOM 24392 H H . GLU A 1 27 ? -11.670 5.557 -3.006 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 16 +ATOM 24393 H HA . GLU A 1 27 ? -9.613 7.145 -4.017 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 16 +ATOM 24394 H HB2 . GLU A 1 27 ? -12.361 7.811 -3.067 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 16 +ATOM 24395 H HB3 . GLU A 1 27 ? -11.253 9.063 -3.632 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 16 +ATOM 24396 H HG2 . GLU A 1 27 ? -11.043 7.791 -5.766 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 16 +ATOM 24397 H HG3 . GLU A 1 27 ? -12.305 6.709 -5.176 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 16 +ATOM 24398 N N . GLN A 1 28 ? -10.156 7.536 -0.819 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 16 +ATOM 24399 C CA . GLN A 1 28 ? -9.455 8.036 0.362 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 16 +ATOM 24400 C C . GLN A 1 28 ? -8.083 7.430 0.444 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 16 +ATOM 24401 O O . GLN A 1 28 ? -7.119 8.141 0.648 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 16 +ATOM 24402 C CB . GLN A 1 28 ? -10.186 7.831 1.696 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 16 +ATOM 24403 C CG . GLN A 1 28 ? -11.295 8.836 2.016 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 16 +ATOM 24404 C CD . GLN A 1 28 ? -12.506 8.738 1.137 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 16 +ATOM 24405 O OE1 . GLN A 1 28 ? -13.439 8.006 1.445 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 16 +ATOM 24406 N NE2 . GLN A 1 28 ? -12.523 9.488 0.060 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 16 +ATOM 24407 H H . GLN A 1 28 ? -10.984 7.011 -0.736 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 16 +ATOM 24408 H HA . GLN A 1 28 ? -9.317 9.095 0.193 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 16 +ATOM 24409 H HB2 . GLN A 1 28 ? -10.620 6.842 1.704 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 16 +ATOM 24410 H HB3 . GLN A 1 28 ? -9.440 7.894 2.478 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 16 +ATOM 24411 H HG2 . GLN A 1 28 ? -11.615 8.689 3.036 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 16 +ATOM 24412 H HG3 . GLN A 1 28 ? -10.881 9.828 1.921 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 16 +ATOM 24413 H HE21 . GLN A 1 28 ? -11.750 10.068 -0.098 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 16 +ATOM 24414 H HE22 . GLN A 1 28 ? -13.293 9.428 -0.544 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 16 +ATOM 24415 N N . LEU A 1 29 ? -7.995 6.122 0.228 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 16 +ATOM 24416 C CA . LEU A 1 29 ? -6.717 5.419 0.252 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 16 +ATOM 24417 C C . LEU A 1 29 ? -5.751 5.988 -0.771 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 16 +ATOM 24418 O O . LEU A 1 29 ? -4.580 6.198 -0.460 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 16 +ATOM 24419 C CB . LEU A 1 29 ? -6.905 3.924 0.051 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 16 +ATOM 24420 C CG . LEU A 1 29 ? -7.594 3.183 1.205 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 16 +ATOM 24421 C CD1 . LEU A 1 29 ? -7.826 1.737 0.844 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 16 +ATOM 24422 C CD2 . LEU A 1 29 ? -6.755 3.272 2.476 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 16 +ATOM 24423 H H . LEU A 1 29 ? -8.819 5.616 0.049 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 16 +ATOM 24424 H HA . LEU A 1 29 ? -6.287 5.585 1.228 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 16 +ATOM 24425 H HB2 . LEU A 1 29 ? -7.486 3.803 -0.853 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 16 +ATOM 24426 H HB3 . LEU A 1 29 ? -5.932 3.481 -0.109 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 16 +ATOM 24427 H HG . LEU A 1 29 ? -8.552 3.642 1.400 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 16 +ATOM 24428 H HD11 . LEU A 1 29 ? -6.878 1.262 0.644 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 16 +ATOM 24429 H HD12 . LEU A 1 29 ? -8.449 1.681 -0.036 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 16 +ATOM 24430 H HD13 . LEU A 1 29 ? -8.313 1.233 1.666 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 16 +ATOM 24431 H HD21 . LEU A 1 29 ? -5.769 2.879 2.284 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 16 +ATOM 24432 H HD22 . LEU A 1 29 ? -7.225 2.681 3.249 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 16 +ATOM 24433 H HD23 . LEU A 1 29 ? -6.683 4.298 2.805 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 16 +ATOM 24434 N N . LYS A 1 30 ? -6.248 6.264 -1.974 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 16 +ATOM 24435 C CA . LYS A 1 30 ? -5.447 6.896 -3.010 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 16 +ATOM 24436 C C . LYS A 1 30 ? -4.914 8.245 -2.519 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 16 +ATOM 24437 O O . LYS A 1 30 ? -3.746 8.552 -2.687 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 16 +ATOM 24438 C CB . LYS A 1 30 ? -6.294 7.138 -4.250 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 16 +ATOM 24439 C CG . LYS A 1 30 ? -5.535 7.807 -5.387 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 16 +ATOM 24440 C CD . LYS A 1 30 ? -6.457 8.283 -6.494 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 16 +ATOM 24441 C CE . LYS A 1 30 ? -7.346 9.430 -6.023 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 16 +ATOM 24442 N NZ . LYS A 1 30 ? -8.235 9.913 -7.098 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 16 +ATOM 24443 H H . LYS A 1 30 ? -7.174 5.993 -2.181 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 16 +ATOM 24444 H HA . LYS A 1 30 ? -4.624 6.245 -3.264 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 16 +ATOM 24445 H HB2 . LYS A 1 30 ? -6.668 6.187 -4.599 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 16 +ATOM 24446 H HB3 . LYS A 1 30 ? -7.130 7.754 -3.961 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 16 +ATOM 24447 H HG2 . LYS A 1 30 ? -5.011 8.659 -4.982 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 16 +ATOM 24448 H HG3 . LYS A 1 30 ? -4.821 7.105 -5.792 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 16 +ATOM 24449 H HD2 . LYS A 1 30 ? -5.861 8.619 -7.330 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 16 +ATOM 24450 H HD3 . LYS A 1 30 ? -7.082 7.458 -6.803 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 16 +ATOM 24451 H HE2 . LYS A 1 30 ? -7.950 9.096 -5.194 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 16 +ATOM 24452 H HE3 . LYS A 1 30 ? -6.709 10.238 -5.687 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 16 +ATOM 24453 H HZ1 . LYS A 1 30 ? -8.853 9.160 -7.462 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 16 +ATOM 24454 H HZ2 . LYS A 1 30 ? -7.683 10.266 -7.903 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 16 +ATOM 24455 H HZ3 . LYS A 1 30 ? -8.841 10.691 -6.769 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 16 +ATOM 24456 N N . LYS A 1 31 ? -5.777 9.020 -1.881 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 16 +ATOM 24457 C CA . LYS A 1 31 ? -5.404 10.329 -1.351 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 16 +ATOM 24458 C C . LYS A 1 31 ? -4.374 10.188 -0.247 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 16 +ATOM 24459 O O . LYS A 1 31 ? -3.490 11.049 -0.088 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 16 +ATOM 24460 C CB . LYS A 1 31 ? -6.619 11.086 -0.837 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 16 +ATOM 24461 C CG . LYS A 1 31 ? -7.643 11.406 -1.892 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 16 +ATOM 24462 C CD . LYS A 1 31 ? -8.842 12.072 -1.265 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 16 +ATOM 24463 C CE . LYS A 1 31 ? -9.944 12.289 -2.264 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 16 +ATOM 24464 N NZ . LYS A 1 31 ? -9.563 13.212 -3.362 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 16 +ATOM 24465 H H . LYS A 1 31 ? -6.701 8.697 -1.769 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 16 +ATOM 24466 H HA . LYS A 1 31 ? -4.959 10.888 -2.160 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 16 +ATOM 24467 H HB2 . LYS A 1 31 ? -7.108 10.490 -0.082 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 16 +ATOM 24468 H HB3 . LYS A 1 31 ? -6.294 12.015 -0.394 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 16 +ATOM 24469 H HG2 . LYS A 1 31 ? -7.207 12.069 -2.624 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 16 +ATOM 24470 H HG3 . LYS A 1 31 ? -7.957 10.490 -2.369 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 16 +ATOM 24471 H HD2 . LYS A 1 31 ? -9.217 11.432 -0.480 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 16 +ATOM 24472 H HD3 . LYS A 1 31 ? -8.544 13.022 -0.849 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 16 +ATOM 24473 H HE2 . LYS A 1 31 ? -10.184 11.323 -2.681 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 16 +ATOM 24474 H HE3 . LYS A 1 31 ? -10.803 12.675 -1.738 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 16 +ATOM 24475 H HZ1 . LYS A 1 31 ? -10.383 13.359 -3.987 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 16 +ATOM 24476 H HZ2 . LYS A 1 31 ? -8.778 12.845 -3.936 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 16 +ATOM 24477 H HZ3 . LYS A 1 31 ? -9.279 14.140 -2.986 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 16 +ATOM 24478 N N . LYS A 1 32 ? -4.492 9.114 0.527 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 16 +ATOM 24479 C CA . LYS A 1 32 ? -3.538 8.839 1.590 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 16 +ATOM 24480 C C . LYS A 1 32 ? -2.179 8.508 0.981 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 16 +ATOM 24481 O O . LYS A 1 32 ? -1.140 8.832 1.549 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 16 +ATOM 24482 C CB . LYS A 1 32 ? -3.982 7.705 2.553 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 16 +ATOM 24483 C CG . LYS A 1 32 ? -5.434 7.747 3.057 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 16 +ATOM 24484 C CD . LYS A 1 32 ? -5.863 9.106 3.595 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 16 +ATOM 24485 C CE . LYS A 1 32 ? -5.067 9.544 4.798 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 16 +ATOM 24486 N NZ . LYS A 1 32 ? -5.254 8.668 5.974 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 16 +ATOM 24487 H H . LYS A 1 32 ? -5.261 8.520 0.375 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 16 +ATOM 24488 H HA . LYS A 1 32 ? -3.414 9.756 2.138 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 16 +ATOM 24489 H HB2 . LYS A 1 32 ? -3.851 6.761 2.052 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 16 +ATOM 24490 H HB3 . LYS A 1 32 ? -3.329 7.725 3.413 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 16 +ATOM 24491 H HG2 . LYS A 1 32 ? -6.089 7.496 2.236 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 16 +ATOM 24492 H HG3 . LYS A 1 32 ? -5.551 7.005 3.834 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 16 +ATOM 24493 H HD2 . LYS A 1 32 ? -5.735 9.842 2.814 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 16 +ATOM 24494 H HD3 . LYS A 1 32 ? -6.908 9.056 3.862 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 16 +ATOM 24495 H HE2 . LYS A 1 32 ? -4.023 9.558 4.526 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 16 +ATOM 24496 H HE3 . LYS A 1 32 ? -5.401 10.540 5.032 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 16 +ATOM 24497 H HZ1 . LYS A 1 32 ? -4.657 9.004 6.759 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 16 +ATOM 24498 H HZ2 . LYS A 1 32 ? -4.990 7.682 5.789 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 16 +ATOM 24499 H HZ3 . LYS A 1 32 ? -6.238 8.684 6.317 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 16 +ATOM 24500 N N . LEU A 1 33 ? -2.203 7.855 -0.162 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 16 +ATOM 24501 C CA . LEU A 1 33 ? -0.997 7.558 -0.908 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 16 +ATOM 24502 C C . LEU A 1 33 ? -0.408 8.846 -1.472 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 16 +ATOM 24503 O O . LEU A 1 33 ? 0.796 9.052 -1.442 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 16 +ATOM 24504 C CB . LEU A 1 33 ? -1.290 6.577 -2.044 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 16 +ATOM 24505 C CG . LEU A 1 33 ? -1.879 5.229 -1.631 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 16 +ATOM 24506 C CD1 . LEU A 1 33 ? -2.144 4.370 -2.848 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 16 +ATOM 24507 C CD2 . LEU A 1 33 ? -0.959 4.518 -0.654 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 16 +ATOM 24508 H H . LEU A 1 33 ? -3.066 7.540 -0.512 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 16 +ATOM 24509 H HA . LEU A 1 33 ? -0.286 7.109 -0.230 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 16 +ATOM 24510 H HB2 . LEU A 1 33 ? -1.980 7.053 -2.724 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 16 +ATOM 24511 H HB3 . LEU A 1 33 ? -0.368 6.393 -2.575 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 16 +ATOM 24512 H HG . LEU A 1 33 ? -2.827 5.399 -1.141 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 16 +ATOM 24513 H HD11 . LEU A 1 33 ? -2.831 4.878 -3.508 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 16 +ATOM 24514 H HD12 . LEU A 1 33 ? -2.573 3.429 -2.536 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 16 +ATOM 24515 H HD13 . LEU A 1 33 ? -1.214 4.191 -3.363 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 16 +ATOM 24516 H HD21 . LEU A 1 33 ? -0.860 5.123 0.235 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 16 +ATOM 24517 H HD22 . LEU A 1 33 ? 0.011 4.374 -1.106 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 16 +ATOM 24518 H HD23 . LEU A 1 33 ? -1.384 3.561 -0.392 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 16 +ATOM 24519 N N . VAL A 1 34 ? -1.278 9.719 -1.961 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 16 +ATOM 24520 C CA . VAL A 1 34 ? -0.864 10.993 -2.530 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 16 +ATOM 24521 C C . VAL A 1 34 ? -0.142 11.858 -1.486 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 16 +ATOM 24522 O O . VAL A 1 34 ? 0.931 12.392 -1.756 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 16 +ATOM 24523 C CB . VAL A 1 34 ? -2.081 11.762 -3.137 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 16 +ATOM 24524 C CG1 . VAL A 1 34 ? -1.691 13.154 -3.608 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 16 +ATOM 24525 C CG2 . VAL A 1 34 ? -2.657 10.978 -4.294 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 16 +ATOM 24526 H H . VAL A 1 34 ? -2.230 9.472 -1.956 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 16 +ATOM 24527 H HA . VAL A 1 34 ? -0.166 10.774 -3.325 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 16 +ATOM 24528 H HB . VAL A 1 34 ? -2.859 11.857 -2.391 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 16 +ATOM 24529 H HG11 . VAL A 1 34 ? -2.556 13.651 -4.024 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 16 +ATOM 24530 H HG12 . VAL A 1 34 ? -0.915 13.081 -4.356 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 16 +ATOM 24531 H HG13 . VAL A 1 34 ? -1.328 13.716 -2.761 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 16 +ATOM 24532 H HG21 . VAL A 1 34 ? -2.984 10.019 -3.920 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 16 +ATOM 24533 H HG22 . VAL A 1 34 ? -1.900 10.838 -5.051 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 16 +ATOM 24534 H HG23 . VAL A 1 34 ? -3.501 11.509 -4.709 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 16 +ATOM 24535 N N . GLU A 1 35 ? -0.696 11.944 -0.292 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 16 +ATOM 24536 C CA . GLU A 1 35 ? -0.059 12.696 0.780 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 16 +ATOM 24537 C C . GLU A 1 35 ? 1.218 12.003 1.262 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 16 +ATOM 24538 O O . GLU A 1 35 ? 2.227 12.653 1.541 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 16 +ATOM 24539 C CB . GLU A 1 35 ? -1.020 12.937 1.950 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 16 +ATOM 24540 C CG . GLU A 1 35 ? -1.598 11.675 2.524 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 16 +ATOM 24541 C CD . GLU A 1 35 ? -2.450 11.882 3.732 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 16 +ATOM 24542 O OE1 . GLU A 1 35 ? -3.596 12.336 3.596 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 16 +ATOM 24543 O OE2 . GLU A 1 35 ? -2.000 11.539 4.853 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 16 +ATOM 24544 H H . GLU A 1 35 ? -1.559 11.498 -0.138 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 16 +ATOM 24545 H HA . GLU A 1 35 ? 0.225 13.650 0.361 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 16 +ATOM 24546 H HB2 . GLU A 1 35 ? -0.490 13.455 2.735 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 16 +ATOM 24547 H HB3 . GLU A 1 35 ? -1.834 13.555 1.602 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 16 +ATOM 24548 H HG2 . GLU A 1 35 ? -2.195 11.216 1.752 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 16 +ATOM 24549 H HG3 . GLU A 1 35 ? -0.782 11.013 2.776 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 16 +ATOM 24550 N N . VAL A 1 36 ? 1.179 10.679 1.318 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 16 +ATOM 24551 C CA . VAL A 1 36 ? 2.288 9.914 1.828 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 16 +ATOM 24552 C C . VAL A 1 36 ? 3.494 10.031 0.907 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 16 +ATOM 24553 O O . VAL A 1 36 ? 4.590 9.997 1.357 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 16 +ATOM 24554 C CB . VAL A 1 36 ? 1.941 8.429 2.165 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 16 +ATOM 24555 C CG1 . VAL A 1 36 ? 2.118 7.475 0.986 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 16 +ATOM 24556 C CG2 . VAL A 1 36 ? 2.707 7.967 3.392 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 16 +ATOM 24557 H H . VAL A 1 36 ? 0.378 10.202 1.011 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 16 +ATOM 24558 H HA . VAL A 1 36 ? 2.570 10.418 2.742 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 16 +ATOM 24559 H HB . VAL A 1 36 ? 0.891 8.407 2.412 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 16 +ATOM 24560 H HG11 . VAL A 1 36 ? 1.534 7.828 0.149 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 16 +ATOM 24561 H HG12 . VAL A 1 36 ? 1.788 6.486 1.267 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 16 +ATOM 24562 H HG13 . VAL A 1 36 ? 3.161 7.440 0.707 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 16 +ATOM 24563 H HG21 . VAL A 1 36 ? 2.528 6.916 3.562 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 16 +ATOM 24564 H HG22 . VAL A 1 36 ? 2.365 8.528 4.250 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 16 +ATOM 24565 H HG23 . VAL A 1 36 ? 3.760 8.146 3.250 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 16 +ATOM 24566 N N . LEU A 1 37 ? 3.250 10.210 -0.386 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 16 +ATOM 24567 C CA . LEU A 1 37 ? 4.311 10.338 -1.396 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 16 +ATOM 24568 C C . LEU A 1 37 ? 5.339 11.420 -1.086 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 16 +ATOM 24569 O O . LEU A 1 37 ? 6.446 11.350 -1.598 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 16 +ATOM 24570 C CB . LEU A 1 37 ? 3.752 10.547 -2.808 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 16 +ATOM 24571 C CG . LEU A 1 37 ? 3.135 9.328 -3.494 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 16 +ATOM 24572 C CD1 . LEU A 1 37 ? 2.578 9.719 -4.853 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 16 +ATOM 24573 C CD2 . LEU A 1 37 ? 4.176 8.223 -3.652 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 16 +ATOM 24574 H H . LEU A 1 37 ? 2.314 10.226 -0.680 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 16 +ATOM 24575 H HA . LEU A 1 37 ? 4.855 9.406 -1.394 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 16 +ATOM 24576 H HB2 . LEU A 1 37 ? 2.995 11.314 -2.752 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 16 +ATOM 24577 H HB3 . LEU A 1 37 ? 4.555 10.913 -3.430 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 16 +ATOM 24578 H HG . LEU A 1 37 ? 2.323 8.949 -2.890 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 16 +ATOM 24579 H HD11 . LEU A 1 37 ? 3.378 10.101 -5.469 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 16 +ATOM 24580 H HD12 . LEU A 1 37 ? 1.828 10.486 -4.726 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 16 +ATOM 24581 H HD13 . LEU A 1 37 ? 2.138 8.855 -5.329 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 16 +ATOM 24582 H HD21 . LEU A 1 37 ? 4.500 7.877 -2.681 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 16 +ATOM 24583 H HD22 . LEU A 1 37 ? 5.026 8.615 -4.190 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 16 +ATOM 24584 H HD23 . LEU A 1 37 ? 3.752 7.400 -4.208 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 16 +ATOM 24585 N N . GLU A 1 38 ? 4.982 12.441 -0.297 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 16 +ATOM 24586 C CA . GLU A 1 38 ? 5.974 13.468 0.045 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 16 +ATOM 24587 C C . GLU A 1 38 ? 7.034 12.890 1.011 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 16 +ATOM 24588 O O . GLU A 1 38 ? 8.174 13.362 1.064 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 16 +ATOM 24589 C CB . GLU A 1 38 ? 5.325 14.715 0.657 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 16 +ATOM 24590 C CG . GLU A 1 38 ? 4.654 14.480 1.993 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 16 +ATOM 24591 C CD . GLU A 1 38 ? 4.166 15.745 2.622 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 16 +ATOM 24592 O OE1 . GLU A 1 38 ? 4.955 16.414 3.318 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 16 +ATOM 24593 O OE2 . GLU A 1 38 ? 2.980 16.102 2.450 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 16 +ATOM 24594 H H . GLU A 1 38 ? 4.071 12.488 0.072 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 16 +ATOM 24595 H HA . GLU A 1 38 ? 6.476 13.736 -0.873 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 16 +ATOM 24596 H HB2 . GLU A 1 38 ? 6.083 15.472 0.788 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 16 +ATOM 24597 H HB3 . GLU A 1 38 ? 4.583 15.090 -0.033 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 16 +ATOM 24598 H HG2 . GLU A 1 38 ? 3.810 13.821 1.849 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 16 +ATOM 24599 H HG3 . GLU A 1 38 ? 5.364 14.010 2.658 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 16 +ATOM 24600 N N . SER A 1 39 ? 6.650 11.863 1.745 1.00 0.00 ? ? ? ? ? ? 36 SER A N 16 +ATOM 24601 C CA . SER A 1 39 ? 7.511 11.208 2.693 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 16 +ATOM 24602 C C . SER A 1 39 ? 6.940 9.826 3.034 1.00 0.00 ? ? ? ? ? ? 36 SER A C 16 +ATOM 24603 O O . SER A 1 39 ? 6.304 9.659 4.053 1.00 0.00 ? ? ? ? ? ? 36 SER A O 16 +ATOM 24604 C CB . SER A 1 39 ? 7.660 12.079 3.959 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 16 +ATOM 24605 O OG . SER A 1 39 ? 6.379 12.417 4.499 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 16 +ATOM 24606 H H . SER A 1 39 ? 5.744 11.496 1.635 1.00 0.00 ? ? ? ? ? ? 36 SER A H 16 +ATOM 24607 H HA . SER A 1 39 ? 8.482 11.073 2.242 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 16 +ATOM 24608 H HB2 . SER A 1 39 ? 8.220 11.536 4.706 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 16 +ATOM 24609 H HB3 . SER A 1 39 ? 8.180 12.991 3.708 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 16 +ATOM 24610 H HG . SER A 1 39 ? 5.898 11.582 4.571 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 16 +ATOM 24611 N N . PRO A 1 40 ? 7.080 8.827 2.137 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 16 +ATOM 24612 C CA . PRO A 1 40 ? 6.506 7.494 2.369 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 16 +ATOM 24613 C C . PRO A 1 40 ? 7.367 6.653 3.288 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 16 +ATOM 24614 O O . PRO A 1 40 ? 6.989 5.570 3.702 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 16 +ATOM 24615 C CB . PRO A 1 40 ? 6.432 6.889 0.972 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 16 +ATOM 24616 C CG . PRO A 1 40 ? 7.543 7.536 0.225 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 16 +ATOM 24617 C CD . PRO A 1 40 ? 7.721 8.921 0.810 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 16 +ATOM 24618 H HA . PRO A 1 40 ? 5.517 7.558 2.794 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 16 +ATOM 24619 H HB2 . PRO A 1 40 ? 6.558 5.819 1.036 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 16 +ATOM 24620 H HB3 . PRO A 1 40 ? 5.474 7.118 0.530 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 16 +ATOM 24621 H HG2 . PRO A 1 40 ? 8.450 6.961 0.347 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 16 +ATOM 24622 H HG3 . PRO A 1 40 ? 7.284 7.607 -0.821 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 16 +ATOM 24623 H HD2 . PRO A 1 40 ? 8.769 9.167 0.902 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 16 +ATOM 24624 H HD3 . PRO A 1 40 ? 7.217 9.653 0.196 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 16 +ATOM 24625 N N . ARG A 1 41 ? 8.502 7.187 3.638 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 16 +ATOM 24626 C CA . ARG A 1 41 ? 9.428 6.515 4.500 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 16 +ATOM 24627 C C . ARG A 1 41 ? 9.191 6.874 5.976 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 16 +ATOM 24628 O O . ARG A 1 41 ? 10.116 7.008 6.765 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 16 +ATOM 24629 C CB . ARG A 1 41 ? 10.884 6.719 4.000 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 16 +ATOM 24630 C CG . ARG A 1 41 ? 11.314 8.158 3.659 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 16 +ATOM 24631 C CD . ARG A 1 41 ? 11.568 9.012 4.887 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 16 +ATOM 24632 N NE . ARG A 1 41 ? 12.631 8.456 5.737 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 16 +ATOM 24633 C CZ . ARG A 1 41 ? 12.919 8.884 6.973 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 16 +ATOM 24634 N NH1 . ARG A 1 41 ? 12.270 9.926 7.492 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 16 +ATOM 24635 N NH2 . ARG A 1 41 ? 13.879 8.296 7.673 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 16 +ATOM 24636 H H . ARG A 1 41 ? 8.694 8.083 3.295 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 16 +ATOM 24637 H HA . ARG A 1 41 ? 9.185 5.466 4.409 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 16 +ATOM 24638 H HB2 . ARG A 1 41 ? 11.544 6.366 4.777 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 16 +ATOM 24639 H HB3 . ARG A 1 41 ? 11.031 6.104 3.125 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 16 +ATOM 24640 H HG2 . ARG A 1 41 ? 12.213 8.128 3.064 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 16 +ATOM 24641 H HG3 . ARG A 1 41 ? 10.530 8.613 3.071 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 16 +ATOM 24642 H HD2 . ARG A 1 41 ? 11.868 9.995 4.555 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 16 +ATOM 24643 H HD3 . ARG A 1 41 ? 10.656 9.085 5.462 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 16 +ATOM 24644 H HE . ARG A 1 41 ? 13.134 7.703 5.347 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 16 +ATOM 24645 H HH11 . ARG A 1 41 ? 11.558 10.421 6.987 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 16 +ATOM 24646 H HH12 . ARG A 1 41 ? 12.475 10.255 8.420 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 16 +ATOM 24647 H HH21 . ARG A 1 41 ? 14.418 7.525 7.321 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 16 +ATOM 24648 H HH22 . ARG A 1 41 ? 14.103 8.614 8.598 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 16 +ATOM 24649 N N . ILE A 1 42 ? 7.925 6.945 6.345 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 16 +ATOM 24650 C CA . ILE A 1 42 ? 7.536 7.243 7.705 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 16 +ATOM 24651 C C . ILE A 1 42 ? 7.604 5.955 8.510 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 16 +ATOM 24652 O O . ILE A 1 42 ? 6.661 5.145 8.520 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 16 +ATOM 24653 C CB . ILE A 1 42 ? 6.107 7.885 7.776 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 16 +ATOM 24654 C CG1 . ILE A 1 42 ? 6.118 9.231 7.043 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 16 +ATOM 24655 C CG2 . ILE A 1 42 ? 5.642 8.071 9.225 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 16 +ATOM 24656 C CD1 . ILE A 1 42 ? 4.769 9.920 6.944 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 16 +ATOM 24657 H H . ILE A 1 42 ? 7.236 6.750 5.673 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 16 +ATOM 24658 H HA . ILE A 1 42 ? 8.263 7.935 8.107 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 16 +ATOM 24659 H HB . ILE A 1 42 ? 5.412 7.226 7.278 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 16 +ATOM 24660 H HG12 . ILE A 1 42 ? 6.786 9.902 7.561 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 16 +ATOM 24661 H HG13 . ILE A 1 42 ? 6.489 9.077 6.039 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 16 +ATOM 24662 H HG21 . ILE A 1 42 ? 4.639 8.470 9.233 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 16 +ATOM 24663 H HG22 . ILE A 1 42 ? 6.299 8.770 9.719 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 16 +ATOM 24664 H HG23 . ILE A 1 42 ? 5.662 7.120 9.738 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 16 +ATOM 24665 H HD11 . ILE A 1 42 ? 4.395 10.146 7.932 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 16 +ATOM 24666 H HD12 . ILE A 1 42 ? 4.074 9.275 6.428 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 16 +ATOM 24667 H HD13 . ILE A 1 42 ? 4.892 10.835 6.381 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 16 +ATOM 24668 N N . GLU A 1 43 ? 8.759 5.762 9.141 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 16 +ATOM 24669 C CA . GLU A 1 43 ? 9.111 4.563 9.900 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 16 +ATOM 24670 C C . GLU A 1 43 ? 8.111 4.211 11.010 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 16 +ATOM 24671 O O . GLU A 1 43 ? 8.054 3.071 11.462 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 16 +ATOM 24672 C CB . GLU A 1 43 ? 10.555 4.661 10.422 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 16 +ATOM 24673 C CG . GLU A 1 43 ? 10.863 5.931 11.201 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 16 +ATOM 24674 C CD . GLU A 1 43 ? 12.312 6.027 11.614 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 16 +ATOM 24675 O OE1 . GLU A 1 43 ? 13.147 6.506 10.808 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 16 +ATOM 24676 O OE2 . GLU A 1 43 ? 12.641 5.653 12.756 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 16 +ATOM 24677 H H . GLU A 1 43 ? 9.430 6.474 9.068 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 16 +ATOM 24678 H HA . GLU A 1 43 ? 9.082 3.760 9.180 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 16 +ATOM 24679 H HB2 . GLU A 1 43 ? 10.749 3.816 11.066 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 16 +ATOM 24680 H HB3 . GLU A 1 43 ? 11.228 4.613 9.578 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 16 +ATOM 24681 H HG2 . GLU A 1 43 ? 10.628 6.785 10.585 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 16 +ATOM 24682 H HG3 . GLU A 1 43 ? 10.249 5.952 12.090 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 16 +ATOM 24683 N N . ALA A 1 44 ? 7.305 5.174 11.407 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 16 +ATOM 24684 C CA . ALA A 1 44 ? 6.254 4.953 12.387 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 16 +ATOM 24685 C C . ALA A 1 44 ? 5.189 3.989 11.843 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 16 +ATOM 24686 O O . ALA A 1 44 ? 4.625 3.185 12.584 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 16 +ATOM 24687 C CB . ALA A 1 44 ? 5.606 6.277 12.757 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 16 +ATOM 24688 H H . ALA A 1 44 ? 7.454 6.072 11.040 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 16 +ATOM 24689 H HA . ALA A 1 44 ? 6.697 4.529 13.276 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 16 +ATOM 24690 H HB1 . ALA A 1 44 ? 6.362 6.957 13.121 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 16 +ATOM 24691 H HB2 . ALA A 1 44 ? 4.863 6.116 13.524 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 16 +ATOM 24692 H HB3 . ALA A 1 44 ? 5.131 6.702 11.885 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 16 +ATOM 24693 N N . ASN A 1 45 ? 4.961 4.038 10.543 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 16 +ATOM 24694 C CA . ASN A 1 45 ? 3.924 3.216 9.898 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 16 +ATOM 24695 C C . ASN A 1 45 ? 4.540 2.011 9.230 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 16 +ATOM 24696 O O . ASN A 1 45 ? 3.871 1.288 8.484 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 16 +ATOM 24697 C CB . ASN A 1 45 ? 3.158 4.023 8.835 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 16 +ATOM 24698 C CG . ASN A 1 45 ? 2.353 5.175 9.394 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 16 +ATOM 24699 O OD1 . ASN A 1 45 ? 1.866 5.130 10.531 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 16 +ATOM 24700 N ND2 . ASN A 1 45 ? 2.202 6.215 8.604 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 16 +ATOM 24701 H H . ASN A 1 45 ? 5.516 4.621 9.977 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 16 +ATOM 24702 H HA . ASN A 1 45 ? 3.227 2.889 10.654 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 16 +ATOM 24703 H HB2 . ASN A 1 45 ? 3.868 4.429 8.128 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 16 +ATOM 24704 H HB3 . ASN A 1 45 ? 2.489 3.357 8.309 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 16 +ATOM 24705 H HD21 . ASN A 1 45 ? 2.607 6.193 7.712 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 16 +ATOM 24706 H HD22 . ASN A 1 45 ? 1.687 6.984 8.932 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 16 +ATOM 24707 N N . LYS A 1 46 ? 5.801 1.796 9.489 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 16 +ATOM 24708 C CA . LYS A 1 46 ? 6.532 0.755 8.901 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 16 +ATOM 24709 C C . LYS A 1 46 ? 6.262 -0.547 9.623 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 16 +ATOM 24710 O O . LYS A 1 46 ? 6.056 -0.563 10.840 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 16 +ATOM 24711 C CB . LYS A 1 46 ? 7.985 1.134 8.985 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 16 +ATOM 24712 C CG . LYS A 1 46 ? 8.841 0.442 8.010 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 16 +ATOM 24713 C CD . LYS A 1 46 ? 10.198 1.105 7.929 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 16 +ATOM 24714 C CE . LYS A 1 46 ? 10.950 0.638 6.712 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 16 +ATOM 24715 N NZ . LYS A 1 46 ? 12.132 1.468 6.438 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 16 +ATOM 24716 H H . LYS A 1 46 ? 6.318 2.350 10.104 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 16 +ATOM 24717 H HA . LYS A 1 46 ? 6.264 0.672 7.859 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 16 +ATOM 24718 H HB2 . LYS A 1 46 ? 8.051 2.193 8.793 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 16 +ATOM 24719 H HB3 . LYS A 1 46 ? 8.350 0.931 9.982 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 16 +ATOM 24720 H HG2 . LYS A 1 46 ? 8.910 -0.590 8.315 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 16 +ATOM 24721 H HG3 . LYS A 1 46 ? 8.315 0.546 7.075 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 16 +ATOM 24722 H HD2 . LYS A 1 46 ? 10.067 2.176 7.867 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 16 +ATOM 24723 H HD3 . LYS A 1 46 ? 10.765 0.857 8.813 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 16 +ATOM 24724 H HE2 . LYS A 1 46 ? 11.254 -0.390 6.842 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 16 +ATOM 24725 H HE3 . LYS A 1 46 ? 10.274 0.711 5.872 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 16 +ATOM 24726 H HZ1 . LYS A 1 46 ? 12.575 1.157 5.544 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 16 +ATOM 24727 H HZ2 . LYS A 1 46 ? 12.836 1.409 7.200 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 16 +ATOM 24728 H HZ3 . LYS A 1 46 ? 11.864 2.467 6.318 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 16 +ATOM 24729 N N . LEU A 1 47 ? 6.232 -1.612 8.875 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 16 +ATOM 24730 C CA . LEU A 1 47 ? 5.995 -2.920 9.412 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 16 +ATOM 24731 C C . LEU A 1 47 ? 7.268 -3.455 10.029 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 16 +ATOM 24732 O O . LEU A 1 47 ? 8.368 -3.089 9.600 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 16 +ATOM 24733 C CB . LEU A 1 47 ? 5.459 -3.842 8.331 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 16 +ATOM 24734 C CG . LEU A 1 47 ? 4.123 -3.420 7.723 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 16 +ATOM 24735 C CD1 . LEU A 1 47 ? 3.663 -4.403 6.682 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 16 +ATOM 24736 C CD2 . LEU A 1 47 ? 3.077 -3.280 8.792 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 16 +ATOM 24737 H H . LEU A 1 47 ? 6.392 -1.511 7.908 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 16 +ATOM 24738 H HA . LEU A 1 47 ? 5.250 -2.818 10.187 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 16 +ATOM 24739 H HB2 . LEU A 1 47 ? 6.187 -3.858 7.535 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 16 +ATOM 24740 H HB3 . LEU A 1 47 ? 5.351 -4.836 8.737 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 16 +ATOM 24741 H HG . LEU A 1 47 ? 4.242 -2.458 7.245 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 16 +ATOM 24742 H HD11 . LEU A 1 47 ? 4.384 -4.463 5.881 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 16 +ATOM 24743 H HD12 . LEU A 1 47 ? 2.711 -4.062 6.302 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 16 +ATOM 24744 H HD13 . LEU A 1 47 ? 3.535 -5.369 7.143 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 16 +ATOM 24745 H HD21 . LEU A 1 47 ? 3.372 -2.515 9.493 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 16 +ATOM 24746 H HD22 . LEU A 1 47 ? 2.956 -4.224 9.304 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 16 +ATOM 24747 H HD23 . LEU A 1 47 ? 2.151 -2.994 8.319 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 16 +ATOM 24748 N N . ARG A 1 48 ? 7.115 -4.321 11.007 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 16 +ATOM 24749 C CA . ARG A 1 48 ? 8.216 -4.798 11.830 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 16 +ATOM 24750 C C . ARG A 1 48 ? 9.272 -5.579 11.027 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 16 +ATOM 24751 O O . ARG A 1 48 ? 10.348 -5.053 10.732 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 16 +ATOM 24752 C CB . ARG A 1 48 ? 7.670 -5.651 12.980 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 16 +ATOM 24753 C CG . ARG A 1 48 ? 8.648 -5.891 14.115 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 16 +ATOM 24754 C CD . ARG A 1 48 ? 9.006 -4.584 14.795 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 16 +ATOM 24755 N NE . ARG A 1 48 ? 9.827 -4.765 15.993 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 16 +ATOM 24756 C CZ . ARG A 1 48 ? 10.038 -3.813 16.918 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 16 +ATOM 24757 N NH1 . ARG A 1 48 ? 9.388 -2.652 16.841 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 16 +ATOM 24758 N NH2 . ARG A 1 48 ? 10.863 -4.040 17.936 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 16 +ATOM 24759 H H . ARG A 1 48 ? 6.209 -4.651 11.191 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 16 +ATOM 24760 H HA . ARG A 1 48 ? 8.686 -3.926 12.259 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 16 +ATOM 24761 H HB2 . ARG A 1 48 ? 6.792 -5.169 13.384 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 16 +ATOM 24762 H HB3 . ARG A 1 48 ? 7.383 -6.609 12.573 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 16 +ATOM 24763 H HG2 . ARG A 1 48 ? 8.188 -6.548 14.838 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 16 +ATOM 24764 H HG3 . ARG A 1 48 ? 9.546 -6.343 13.721 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 16 +ATOM 24765 H HD2 . ARG A 1 48 ? 9.565 -3.975 14.101 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 16 +ATOM 24766 H HD3 . ARG A 1 48 ? 8.098 -4.070 15.065 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 16 +ATOM 24767 H HE . ARG A 1 48 ? 10.249 -5.653 16.067 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 16 +ATOM 24768 H HH11 . ARG A 1 48 ? 8.732 -2.465 16.103 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 16 +ATOM 24769 H HH12 . ARG A 1 48 ? 9.528 -1.905 17.499 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 16 +ATOM 24770 H HH21 . ARG A 1 48 ? 11.349 -4.913 18.045 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 16 +ATOM 24771 H HH22 . ARG A 1 48 ? 11.044 -3.348 18.637 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 16 +ATOM 24772 N N . GLY A 1 49 ? 8.955 -6.800 10.642 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 16 +ATOM 24773 C CA . GLY A 1 49 ? 9.921 -7.630 9.949 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 16 +ATOM 24774 C C . GLY A 1 49 ? 9.642 -7.702 8.475 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 16 +ATOM 24775 O O . GLY A 1 49 ? 9.705 -8.770 7.872 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 16 +ATOM 24776 H H . GLY A 1 49 ? 8.056 -7.161 10.800 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 16 +ATOM 24777 H HA2 . GLY A 1 49 ? 10.908 -7.219 10.102 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 16 +ATOM 24778 H HA3 . GLY A 1 49 ? 9.887 -8.628 10.363 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 16 +ATOM 24779 N N . MET A 1 50 ? 9.326 -6.578 7.895 1.00 0.00 ? ? ? ? ? ? 47 MET A N 16 +ATOM 24780 C CA . MET A 1 50 ? 8.991 -6.518 6.491 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 16 +ATOM 24781 C C . MET A 1 50 ? 9.901 -5.508 5.812 1.00 0.00 ? ? ? ? ? ? 47 MET A C 16 +ATOM 24782 O O . MET A 1 50 ? 9.967 -4.351 6.252 1.00 0.00 ? ? ? ? ? ? 47 MET A O 16 +ATOM 24783 C CB . MET A 1 50 ? 7.534 -6.099 6.320 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 16 +ATOM 24784 C CG . MET A 1 50 ? 6.515 -7.033 6.969 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 16 +ATOM 24785 S SD . MET A 1 50 ? 6.367 -8.639 6.152 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 16 +ATOM 24786 C CE . MET A 1 50 ? 5.602 -8.152 4.603 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 16 +ATOM 24787 H H . MET A 1 50 ? 9.353 -5.745 8.412 1.00 0.00 ? ? ? ? ? ? 47 MET A H 16 +ATOM 24788 H HA . MET A 1 50 ? 9.135 -7.499 6.068 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 16 +ATOM 24789 H HB2 . MET A 1 50 ? 7.435 -5.117 6.756 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 16 +ATOM 24790 H HB3 . MET A 1 50 ? 7.315 -6.032 5.264 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 16 +ATOM 24791 H HG2 . MET A 1 50 ? 6.807 -7.200 7.995 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 16 +ATOM 24792 H HG3 . MET A 1 50 ? 5.554 -6.542 6.944 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 16 +ATOM 24793 H HE1 . MET A 1 50 ? 4.650 -7.687 4.809 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 16 +ATOM 24794 H HE2 . MET A 1 50 ? 5.442 -9.029 3.994 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 16 +ATOM 24795 H HE3 . MET A 1 50 ? 6.241 -7.457 4.079 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 16 +ATOM 24796 N N . PRO A 1 51 ? 10.617 -5.924 4.750 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 16 +ATOM 24797 C CA . PRO A 1 51 ? 11.565 -5.062 4.034 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 16 +ATOM 24798 C C . PRO A 1 51 ? 10.902 -3.816 3.439 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 16 +ATOM 24799 O O . PRO A 1 51 ? 10.205 -3.887 2.400 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 16 +ATOM 24800 C CB . PRO A 1 51 ? 12.139 -5.962 2.928 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 16 +ATOM 24801 C CG . PRO A 1 51 ? 11.164 -7.083 2.798 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 16 +ATOM 24802 C CD . PRO A 1 51 ? 10.560 -7.271 4.159 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 16 +ATOM 24803 H HA . PRO A 1 51 ? 12.361 -4.747 4.693 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 16 +ATOM 24804 H HB2 . PRO A 1 51 ? 12.224 -5.398 2.010 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 16 +ATOM 24805 H HB3 . PRO A 1 51 ? 13.115 -6.319 3.225 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 16 +ATOM 24806 H HG2 . PRO A 1 51 ? 10.398 -6.818 2.084 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 16 +ATOM 24807 H HG3 . PRO A 1 51 ? 11.674 -7.982 2.483 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 16 +ATOM 24808 H HD2 . PRO A 1 51 ? 9.535 -7.604 4.075 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 16 +ATOM 24809 H HD3 . PRO A 1 51 ? 11.144 -7.971 4.738 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 16 +ATOM 24810 N N . ASP A 1 52 ? 11.052 -2.709 4.168 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 16 +ATOM 24811 C CA . ASP A 1 52 ? 10.544 -1.382 3.793 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 16 +ATOM 24812 C C . ASP A 1 52 ? 9.070 -1.377 3.454 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 16 +ATOM 24813 O O . ASP A 1 52 ? 8.627 -0.659 2.552 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 16 +ATOM 24814 C CB . ASP A 1 52 ? 11.380 -0.716 2.688 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 16 +ATOM 24815 C CG . ASP A 1 52 ? 12.713 -0.215 3.186 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 16 +ATOM 24816 O OD1 . ASP A 1 52 ? 12.756 0.816 3.905 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 16 +ATOM 24817 O OD2 . ASP A 1 52 ? 13.747 -0.825 2.877 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 16 +ATOM 24818 H H . ASP A 1 52 ? 11.527 -2.809 5.022 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 16 +ATOM 24819 H HA . ASP A 1 52 ? 10.651 -0.791 4.689 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 16 +ATOM 24820 H HB2 . ASP A 1 52 ? 11.559 -1.430 1.899 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 16 +ATOM 24821 H HB3 . ASP A 1 52 ? 10.829 0.121 2.285 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 16 +ATOM 24822 N N . CYS A 1 53 ? 8.299 -2.132 4.203 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 16 +ATOM 24823 C CA . CYS A 1 53 ? 6.883 -2.170 3.977 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 16 +ATOM 24824 C C . CYS A 1 53 ? 6.196 -1.272 4.994 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 16 +ATOM 24825 O O . CYS A 1 53 ? 6.603 -1.217 6.159 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 16 +ATOM 24826 C CB . CYS A 1 53 ? 6.376 -3.600 4.092 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 16 +ATOM 24827 S SG . CYS A 1 53 ? 7.253 -4.782 3.034 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 16 +ATOM 24828 H H . CYS A 1 53 ? 8.684 -2.667 4.929 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 16 +ATOM 24829 H HA . CYS A 1 53 ? 6.683 -1.798 2.986 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 16 +ATOM 24830 H HB2 . CYS A 1 53 ? 6.486 -3.929 5.116 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 16 +ATOM 24831 H HB3 . CYS A 1 53 ? 5.331 -3.627 3.822 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 16 +ATOM 24832 H HG . CYS A 1 53 ? 8.392 -4.220 2.645 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 16 +ATOM 24833 N N . TYR A 1 54 ? 5.180 -0.582 4.556 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 16 +ATOM 24834 C CA . TYR A 1 54 ? 4.450 0.357 5.368 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 16 +ATOM 24835 C C . TYR A 1 54 ? 2.974 0.090 5.209 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 16 +ATOM 24836 O O . TYR A 1 54 ? 2.542 -0.505 4.209 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 16 +ATOM 24837 C CB . TYR A 1 54 ? 4.743 1.815 4.941 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 16 +ATOM 24838 C CG . TYR A 1 54 ? 6.195 2.249 5.038 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 16 +ATOM 24839 C CD1 . TYR A 1 54 ? 7.127 1.853 4.097 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 16 +ATOM 24840 C CD2 . TYR A 1 54 ? 6.624 3.060 6.069 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 16 +ATOM 24841 C CE1 . TYR A 1 54 ? 8.440 2.243 4.188 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 16 +ATOM 24842 C CE2 . TYR A 1 54 ? 7.943 3.456 6.157 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 16 +ATOM 24843 C CZ . TYR A 1 54 ? 8.842 3.041 5.212 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 16 +ATOM 24844 O OH . TYR A 1 54 ? 10.171 3.418 5.310 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 16 +ATOM 24845 H H . TYR A 1 54 ? 4.869 -0.709 3.631 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 16 +ATOM 24846 H HA . TYR A 1 54 ? 4.735 0.225 6.401 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 16 +ATOM 24847 H HB2 . TYR A 1 54 ? 4.432 1.953 3.917 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 16 +ATOM 24848 H HB3 . TYR A 1 54 ? 4.161 2.468 5.576 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 16 +ATOM 24849 H HD1 . TYR A 1 54 ? 6.809 1.218 3.284 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 16 +ATOM 24850 H HD2 . TYR A 1 54 ? 5.914 3.385 6.813 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 16 +ATOM 24851 H HE1 . TYR A 1 54 ? 9.152 1.921 3.446 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 16 +ATOM 24852 H HE2 . TYR A 1 54 ? 8.259 4.092 6.971 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 16 +ATOM 24853 H HH . TYR A 1 54 ? 10.517 3.640 4.435 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 16 +ATOM 24854 N N . LYS A 1 55 ? 2.216 0.513 6.164 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 16 +ATOM 24855 C CA . LYS A 1 55 ? 0.794 0.329 6.159 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 16 +ATOM 24856 C C . LYS A 1 55 ? 0.101 1.662 6.375 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 16 +ATOM 24857 O O . LYS A 1 55 ? 0.605 2.530 7.099 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 16 +ATOM 24858 C CB . LYS A 1 55 ? 0.396 -0.638 7.282 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 16 +ATOM 24859 C CG . LYS A 1 55 ? 0.895 -0.169 8.636 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 16 +ATOM 24860 C CD . LYS A 1 55 ? 0.513 -1.071 9.779 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 16 +ATOM 24861 C CE . LYS A 1 55 ? 1.247 -0.620 11.019 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 16 +ATOM 24862 N NZ . LYS A 1 55 ? 0.851 -1.353 12.225 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 16 +ATOM 24863 H H . LYS A 1 55 ? 2.621 0.985 6.925 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 16 +ATOM 24864 H HA . LYS A 1 55 ? 0.494 -0.096 5.213 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 16 +ATOM 24865 H HB2 . LYS A 1 55 ? -0.682 -0.716 7.316 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 16 +ATOM 24866 H HB3 . LYS A 1 55 ? 0.820 -1.609 7.079 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 16 +ATOM 24867 H HG2 . LYS A 1 55 ? 1.971 -0.082 8.607 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 16 +ATOM 24868 H HG3 . LYS A 1 55 ? 0.468 0.809 8.808 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 16 +ATOM 24869 H HD2 . LYS A 1 55 ? -0.552 -1.005 9.949 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 16 +ATOM 24870 H HD3 . LYS A 1 55 ? 0.787 -2.090 9.555 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 16 +ATOM 24871 H HE2 . LYS A 1 55 ? 2.301 -0.781 10.852 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 16 +ATOM 24872 H HE3 . LYS A 1 55 ? 1.069 0.435 11.144 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 16 +ATOM 24873 H HZ1 . LYS A 1 55 ? 1.118 -2.356 12.176 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 16 +ATOM 24874 H HZ2 . LYS A 1 55 ? -0.178 -1.299 12.361 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 16 +ATOM 24875 H HZ3 . LYS A 1 55 ? 1.290 -0.932 13.069 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 16 +ATOM 24876 N N . ILE A 1 56 ? -1.010 1.833 5.735 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 16 +ATOM 24877 C CA . ILE A 1 56 ? -1.848 2.978 5.957 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 16 +ATOM 24878 C C . ILE A 1 56 ? -3.235 2.478 6.254 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 16 +ATOM 24879 O O . ILE A 1 56 ? -3.752 1.615 5.530 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 16 +ATOM 24880 C CB . ILE A 1 56 ? -1.909 3.958 4.732 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 16 +ATOM 24881 C CG1 . ILE A 1 56 ? -0.537 4.589 4.450 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 16 +ATOM 24882 C CG2 . ILE A 1 56 ? -2.960 5.056 4.959 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 16 +ATOM 24883 C CD1 . ILE A 1 56 ? -0.530 5.542 3.269 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 16 +ATOM 24884 H H . ILE A 1 56 ? -1.299 1.156 5.079 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 16 +ATOM 24885 H HA . ILE A 1 56 ? -1.461 3.502 6.818 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 16 +ATOM 24886 H HB . ILE A 1 56 ? -2.217 3.385 3.870 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 16 +ATOM 24887 H HG12 . ILE A 1 56 ? -0.236 5.159 5.316 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 16 +ATOM 24888 H HG13 . ILE A 1 56 ? 0.187 3.810 4.262 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 16 +ATOM 24889 H HG21 . ILE A 1 56 ? -2.988 5.708 4.099 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 16 +ATOM 24890 H HG22 . ILE A 1 56 ? -2.700 5.631 5.836 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 16 +ATOM 24891 H HG23 . ILE A 1 56 ? -3.930 4.603 5.101 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 16 +ATOM 24892 H HD11 . ILE A 1 56 ? -0.853 5.015 2.384 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 16 +ATOM 24893 H HD12 . ILE A 1 56 ? 0.467 5.928 3.121 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 16 +ATOM 24894 H HD13 . ILE A 1 56 ? -1.205 6.361 3.464 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 16 +ATOM 24895 N N . LYS A 1 57 ? -3.821 2.942 7.316 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 16 +ATOM 24896 C CA . LYS A 1 57 ? -5.180 2.588 7.572 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 16 +ATOM 24897 C C . LYS A 1 57 ? -6.053 3.782 7.281 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 16 +ATOM 24898 O O . LYS A 1 57 ? -5.663 4.933 7.554 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 16 +ATOM 24899 C CB . LYS A 1 57 ? -5.454 1.986 8.983 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 16 +ATOM 24900 C CG . LYS A 1 57 ? -5.506 2.960 10.143 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 16 +ATOM 24901 C CD . LYS A 1 57 ? -4.178 3.595 10.436 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 16 +ATOM 24902 C CE . LYS A 1 57 ? -4.331 4.645 11.487 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 16 +ATOM 24903 N NZ . LYS A 1 57 ? -4.847 4.090 12.754 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 16 +ATOM 24904 H H . LYS A 1 57 ? -3.327 3.561 7.896 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 16 +ATOM 24905 H HA . LYS A 1 57 ? -5.399 1.849 6.824 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 16 +ATOM 24906 H HB2 . LYS A 1 57 ? -6.409 1.481 8.952 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 16 +ATOM 24907 H HB3 . LYS A 1 57 ? -4.688 1.253 9.188 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 16 +ATOM 24908 H HG2 . LYS A 1 57 ? -6.213 3.740 9.907 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 16 +ATOM 24909 H HG3 . LYS A 1 57 ? -5.844 2.428 11.020 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 16 +ATOM 24910 H HD2 . LYS A 1 57 ? -3.475 2.847 10.771 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 16 +ATOM 24911 H HD3 . LYS A 1 57 ? -3.821 4.065 9.534 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 16 +ATOM 24912 H HE2 . LYS A 1 57 ? -3.379 5.131 11.634 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 16 +ATOM 24913 H HE3 . LYS A 1 57 ? -5.050 5.336 11.073 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 16 +ATOM 24914 H HZ1 . LYS A 1 57 ? -4.219 3.350 13.128 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 16 +ATOM 24915 H HZ2 . LYS A 1 57 ? -5.787 3.663 12.633 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 16 +ATOM 24916 H HZ3 . LYS A 1 57 ? -4.935 4.821 13.487 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 16 +ATOM 24917 N N . LEU A 1 58 ? -7.174 3.539 6.694 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 16 +ATOM 24918 C CA . LEU A 1 58 ? -8.092 4.584 6.352 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 16 +ATOM 24919 C C . LEU A 1 58 ? -8.800 4.967 7.644 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 16 +ATOM 24920 O O . LEU A 1 58 ? -9.074 4.097 8.459 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 16 +ATOM 24921 C CB . LEU A 1 58 ? -9.105 4.027 5.333 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 16 +ATOM 24922 C CG . LEU A 1 58 ? -9.669 4.984 4.266 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 16 +ATOM 24923 C CD1 . LEU A 1 58 ? -10.668 4.258 3.395 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 16 +ATOM 24924 C CD2 . LEU A 1 58 ? -10.309 6.206 4.871 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 16 +ATOM 24925 H H . LEU A 1 58 ? -7.427 2.608 6.493 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 16 +ATOM 24926 H HA . LEU A 1 58 ? -7.562 5.425 5.933 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 16 +ATOM 24927 H HB2 . LEU A 1 58 ? -8.633 3.204 4.818 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 16 +ATOM 24928 H HB3 . LEU A 1 58 ? -9.936 3.626 5.894 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 16 +ATOM 24929 H HG . LEU A 1 58 ? -8.857 5.298 3.625 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 16 +ATOM 24930 H HD11 . LEU A 1 58 ? -10.181 3.423 2.912 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 16 +ATOM 24931 H HD12 . LEU A 1 58 ? -11.053 4.932 2.644 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 16 +ATOM 24932 H HD13 . LEU A 1 58 ? -11.481 3.893 4.003 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 16 +ATOM 24933 H HD21 . LEU A 1 58 ? -11.112 5.898 5.524 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 16 +ATOM 24934 H HD22 . LEU A 1 58 ? -10.703 6.835 4.086 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 16 +ATOM 24935 H HD23 . LEU A 1 58 ? -9.575 6.753 5.443 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 16 +ATOM 24936 N N . ARG A 1 59 ? -9.021 6.249 7.869 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 16 +ATOM 24937 C CA . ARG A 1 59 ? -9.744 6.676 9.053 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 16 +ATOM 24938 C C . ARG A 1 59 ? -11.187 6.189 8.969 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 16 +ATOM 24939 O O . ARG A 1 59 ? -11.714 5.596 9.905 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 16 +ATOM 24940 C CB . ARG A 1 59 ? -9.694 8.196 9.200 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 16 +ATOM 24941 C CG . ARG A 1 59 ? -10.480 8.728 10.382 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 16 +ATOM 24942 C CD . ARG A 1 59 ? -10.381 10.233 10.468 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 16 +ATOM 24943 N NE . ARG A 1 59 ? -11.230 10.776 11.533 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 16 +ATOM 24944 C CZ . ARG A 1 59 ? -11.078 11.981 12.095 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 16 +ATOM 24945 N NH1 . ARG A 1 59 ? -9.986 12.704 11.852 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 16 +ATOM 24946 N NH2 . ARG A 1 59 ? -11.984 12.430 12.943 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 16 +ATOM 24947 H H . ARG A 1 59 ? -8.684 6.924 7.241 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 16 +ATOM 24948 H HA . ARG A 1 59 ? -9.273 6.215 9.909 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 16 +ATOM 24949 H HB2 . ARG A 1 59 ? -8.664 8.504 9.311 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 16 +ATOM 24950 H HB3 . ARG A 1 59 ? -10.093 8.643 8.302 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 16 +ATOM 24951 H HG2 . ARG A 1 59 ? -11.517 8.448 10.270 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 16 +ATOM 24952 H HG3 . ARG A 1 59 ? -10.085 8.296 11.290 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 16 +ATOM 24953 H HD2 . ARG A 1 59 ? -9.353 10.501 10.661 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 16 +ATOM 24954 H HD3 . ARG A 1 59 ? -10.689 10.655 9.523 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 16 +ATOM 24955 H HE . ARG A 1 59 ? -11.988 10.197 11.784 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 16 +ATOM 24956 H HH11 . ARG A 1 59 ? -9.246 12.390 11.249 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 16 +ATOM 24957 H HH12 . ARG A 1 59 ? -9.833 13.609 12.257 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 16 +ATOM 24958 H HH21 . ARG A 1 59 ? -12.797 11.893 13.181 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 16 +ATOM 24959 H HH22 . ARG A 1 59 ? -11.918 13.335 13.372 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 16 +ATOM 24960 N N . SER A 1 60 ? -11.801 6.427 7.842 1.00 0.00 ? ? ? ? ? ? 57 SER A N 16 +ATOM 24961 C CA . SER A 1 60 ? -13.144 6.002 7.595 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 16 +ATOM 24962 C C . SER A 1 60 ? -13.152 4.481 7.327 1.00 0.00 ? ? ? ? ? ? 57 SER A C 16 +ATOM 24963 O O . SER A 1 60 ? -12.433 4.001 6.440 1.00 0.00 ? ? ? ? ? ? 57 SER A O 16 +ATOM 24964 C CB . SER A 1 60 ? -13.665 6.775 6.387 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 16 +ATOM 24965 O OG . SER A 1 60 ? -13.361 8.168 6.533 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 16 +ATOM 24966 H H . SER A 1 60 ? -11.344 6.908 7.125 1.00 0.00 ? ? ? ? ? ? 57 SER A H 16 +ATOM 24967 H HA . SER A 1 60 ? -13.755 6.229 8.456 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 16 +ATOM 24968 H HB2 . SER A 1 60 ? -13.200 6.403 5.485 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 16 +ATOM 24969 H HB3 . SER A 1 60 ? -14.736 6.661 6.315 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 16 +ATOM 24970 H HG . SER A 1 60 ? -13.759 8.472 7.356 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 16 +ATOM 24971 N N . SER A 1 61 ? -13.945 3.743 8.120 1.00 0.00 ? ? ? ? ? ? 58 SER A N 16 +ATOM 24972 C CA . SER A 1 61 ? -14.067 2.290 8.029 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 16 +ATOM 24973 C C . SER A 1 61 ? -12.768 1.577 8.496 1.00 0.00 ? ? ? ? ? ? 58 SER A C 16 +ATOM 24974 O O . SER A 1 61 ? -11.853 2.221 9.023 1.00 0.00 ? ? ? ? ? ? 58 SER A O 16 +ATOM 24975 C CB . SER A 1 61 ? -14.496 1.885 6.613 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 16 +ATOM 24976 O OG . SER A 1 61 ? -15.724 2.528 6.264 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 16 +ATOM 24977 H H . SER A 1 61 ? -14.468 4.203 8.810 1.00 0.00 ? ? ? ? ? ? 58 SER A H 16 +ATOM 24978 H HA . SER A 1 61 ? -14.843 2.006 8.725 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 16 +ATOM 24979 H HB2 . SER A 1 61 ? -13.734 2.199 5.915 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 16 +ATOM 24980 H HB3 . SER A 1 61 ? -14.629 0.816 6.563 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 16 +ATOM 24981 H HG . SER A 1 61 ? -15.790 3.326 6.806 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 16 +ATOM 24982 N N . GLY A 1 62 ? -12.701 0.267 8.343 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 16 +ATOM 24983 C CA . GLY A 1 62 ? -11.544 -0.468 8.799 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 16 +ATOM 24984 C C . GLY A 1 62 ? -10.706 -0.988 7.659 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 16 +ATOM 24985 O O . GLY A 1 62 ? -10.237 -2.132 7.693 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 16 +ATOM 24986 H H . GLY A 1 62 ? -13.432 -0.232 7.918 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 16 +ATOM 24987 H HA2 . GLY A 1 62 ? -10.937 0.188 9.405 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 16 +ATOM 24988 H HA3 . GLY A 1 62 ? -11.871 -1.302 9.401 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 16 +ATOM 24989 N N . TYR A 1 63 ? -10.515 -0.164 6.658 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 16 +ATOM 24990 C CA . TYR A 1 63 ? -9.735 -0.542 5.496 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 16 +ATOM 24991 C C . TYR A 1 63 ? -8.279 -0.166 5.668 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 16 +ATOM 24992 O O . TYR A 1 63 ? -7.955 0.919 6.161 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 16 +ATOM 24993 C CB . TYR A 1 63 ? -10.309 0.050 4.211 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 16 +ATOM 24994 C CG . TYR A 1 63 ? -11.604 -0.600 3.765 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 16 +ATOM 24995 C CD1 . TYR A 1 63 ? -12.822 -0.214 4.296 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 16 +ATOM 24996 C CD2 . TYR A 1 63 ? -11.600 -1.602 2.802 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 16 +ATOM 24997 C CE1 . TYR A 1 63 ? -14.000 -0.803 3.885 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 16 +ATOM 24998 C CE2 . TYR A 1 63 ? -12.773 -2.195 2.385 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 16 +ATOM 24999 C CZ . TYR A 1 63 ? -13.969 -1.791 2.929 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 16 +ATOM 25000 O OH . TYR A 1 63 ? -15.138 -2.383 2.516 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 16 +ATOM 25001 H H . TYR A 1 63 ? -10.882 0.741 6.719 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 16 +ATOM 25002 H HA . TYR A 1 63 ? -9.786 -1.619 5.430 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 16 +ATOM 25003 H HB2 . TYR A 1 63 ? -10.501 1.101 4.364 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 16 +ATOM 25004 H HB3 . TYR A 1 63 ? -9.586 -0.064 3.418 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 16 +ATOM 25005 H HD1 . TYR A 1 63 ? -12.839 0.560 5.047 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 16 +ATOM 25006 H HD2 . TYR A 1 63 ? -10.659 -1.916 2.375 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 16 +ATOM 25007 H HE1 . TYR A 1 63 ? -14.940 -0.486 4.311 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 16 +ATOM 25008 H HE2 . TYR A 1 63 ? -12.748 -2.973 1.637 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 16 +ATOM 25009 H HH . TYR A 1 63 ? -15.790 -1.687 2.359 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 16 +ATOM 25010 N N . ARG A 1 64 ? -7.411 -1.073 5.283 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 16 +ATOM 25011 C CA . ARG A 1 64 ? -5.984 -0.917 5.445 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 16 +ATOM 25012 C C . ARG A 1 64 ? -5.275 -1.303 4.158 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 16 +ATOM 25013 O O . ARG A 1 64 ? -5.675 -2.255 3.476 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 16 +ATOM 25014 C CB . ARG A 1 64 ? -5.513 -1.800 6.601 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 16 +ATOM 25015 C CG . ARG A 1 64 ? -6.221 -1.474 7.902 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 16 +ATOM 25016 C CD . ARG A 1 64 ? -6.032 -2.536 8.940 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 16 +ATOM 25017 N NE . ARG A 1 64 ? -4.654 -2.629 9.454 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 16 +ATOM 25018 C CZ . ARG A 1 64 ? -4.324 -2.711 10.762 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 16 +ATOM 25019 N NH1 . ARG A 1 64 ? -5.257 -2.586 11.697 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 16 +ATOM 25020 N NH2 . ARG A 1 64 ? -3.052 -2.884 11.113 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 16 +ATOM 25021 H H . ARG A 1 64 ? -7.745 -1.888 4.844 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 16 +ATOM 25022 H HA . ARG A 1 64 ? -5.772 0.113 5.682 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 16 +ATOM 25023 H HB2 . ARG A 1 64 ? -5.706 -2.833 6.350 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 16 +ATOM 25024 H HB3 . ARG A 1 64 ? -4.452 -1.661 6.744 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 16 +ATOM 25025 H HG2 . ARG A 1 64 ? -5.826 -0.546 8.288 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 16 +ATOM 25026 H HG3 . ARG A 1 64 ? -7.276 -1.357 7.700 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 16 +ATOM 25027 H HD2 . ARG A 1 64 ? -6.732 -2.364 9.740 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 16 +ATOM 25028 H HD3 . ARG A 1 64 ? -6.284 -3.458 8.437 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 16 +ATOM 25029 H HE . ARG A 1 64 ? -3.933 -2.668 8.784 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 16 +ATOM 25030 H HH11 . ARG A 1 64 ? -6.227 -2.425 11.488 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 16 +ATOM 25031 H HH12 . ARG A 1 64 ? -5.030 -2.648 12.674 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 16 +ATOM 25032 H HH21 . ARG A 1 64 ? -2.322 -2.952 10.424 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 16 +ATOM 25033 H HH22 . ARG A 1 64 ? -2.762 -2.963 12.073 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 16 +ATOM 25034 N N . LEU A 1 65 ? -4.248 -0.574 3.839 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 16 +ATOM 25035 C CA . LEU A 1 65 ? -3.480 -0.778 2.633 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 16 +ATOM 25036 C C . LEU A 1 65 ? -2.016 -0.995 3.022 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 16 +ATOM 25037 O O . LEU A 1 65 ? -1.510 -0.321 3.928 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 16 +ATOM 25038 C CB . LEU A 1 65 ? -3.681 0.465 1.717 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 16 +ATOM 25039 C CG . LEU A 1 65 ? -3.042 0.476 0.309 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 16 +ATOM 25040 C CD1 . LEU A 1 65 ? -3.710 1.534 -0.547 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 16 +ATOM 25041 C CD2 . LEU A 1 65 ? -1.561 0.788 0.380 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 16 +ATOM 25042 H H . LEU A 1 65 ? -3.969 0.157 4.436 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 16 +ATOM 25043 H HA . LEU A 1 65 ? -3.853 -1.659 2.133 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 16 +ATOM 25044 H HB2 . LEU A 1 65 ? -4.743 0.610 1.592 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 16 +ATOM 25045 H HB3 . LEU A 1 65 ? -3.304 1.321 2.257 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 16 +ATOM 25046 H HG . LEU A 1 65 ? -3.173 -0.488 -0.160 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 16 +ATOM 25047 H HD11 . LEU A 1 65 ? -3.582 2.506 -0.096 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 16 +ATOM 25048 H HD12 . LEU A 1 65 ? -4.763 1.309 -0.631 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 16 +ATOM 25049 H HD13 . LEU A 1 65 ? -3.264 1.530 -1.531 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 16 +ATOM 25050 H HD21 . LEU A 1 65 ? -1.432 1.739 0.876 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 16 +ATOM 25051 H HD22 . LEU A 1 65 ? -1.155 0.844 -0.619 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 16 +ATOM 25052 H HD23 . LEU A 1 65 ? -1.053 0.015 0.938 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 16 +ATOM 25053 N N . VAL A 1 66 ? -1.357 -1.945 2.375 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 16 +ATOM 25054 C CA . VAL A 1 66 ? 0.041 -2.252 2.662 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 16 +ATOM 25055 C C . VAL A 1 66 ? 0.871 -2.137 1.386 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 16 +ATOM 25056 O O . VAL A 1 66 ? 0.518 -2.714 0.337 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 16 +ATOM 25057 C CB . VAL A 1 66 ? 0.210 -3.677 3.266 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 16 +ATOM 25058 C CG1 . VAL A 1 66 ? 1.671 -3.966 3.613 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 16 +ATOM 25059 C CG2 . VAL A 1 66 ? -0.659 -3.842 4.498 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 16 +ATOM 25060 H H . VAL A 1 66 ? -1.800 -2.461 1.662 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 16 +ATOM 25061 H HA . VAL A 1 66 ? 0.400 -1.523 3.374 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 16 +ATOM 25062 H HB . VAL A 1 66 ? -0.106 -4.398 2.527 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 16 +ATOM 25063 H HG11 . VAL A 1 66 ? 2.016 -3.243 4.340 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 16 +ATOM 25064 H HG12 . VAL A 1 66 ? 2.278 -3.898 2.722 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 16 +ATOM 25065 H HG13 . VAL A 1 66 ? 1.760 -4.958 4.029 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 16 +ATOM 25066 H HG21 . VAL A 1 66 ? -0.532 -4.834 4.904 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 16 +ATOM 25067 H HG22 . VAL A 1 66 ? -1.693 -3.687 4.234 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 16 +ATOM 25068 H HG23 . VAL A 1 66 ? -0.361 -3.111 5.237 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 16 +ATOM 25069 N N . TYR A 1 67 ? 1.954 -1.407 1.470 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 16 +ATOM 25070 C CA . TYR A 1 67 ? 2.825 -1.175 0.341 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 16 +ATOM 25071 C C . TYR A 1 67 ? 4.265 -1.253 0.772 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 16 +ATOM 25072 O O . TYR A 1 67 ? 4.558 -1.136 1.951 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 16 +ATOM 25073 C CB . TYR A 1 67 ? 2.545 0.193 -0.317 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 16 +ATOM 25074 C CG . TYR A 1 67 ? 2.696 1.415 0.586 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 16 +ATOM 25075 C CD1 . TYR A 1 67 ? 3.947 1.900 0.962 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 16 +ATOM 25076 C CD2 . TYR A 1 67 ? 1.587 2.087 1.036 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 16 +ATOM 25077 C CE1 . TYR A 1 67 ? 4.069 3.011 1.761 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 16 +ATOM 25078 C CE2 . TYR A 1 67 ? 1.699 3.196 1.831 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 16 +ATOM 25079 C CZ . TYR A 1 67 ? 2.942 3.657 2.193 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 16 +ATOM 25080 O OH . TYR A 1 67 ? 3.053 4.764 2.995 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 16 +ATOM 25081 H H . TYR A 1 67 ? 2.208 -1.020 2.341 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 16 +ATOM 25082 H HA . TYR A 1 67 ? 2.638 -1.953 -0.384 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 16 +ATOM 25083 H HB2 . TYR A 1 67 ? 3.219 0.324 -1.150 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 16 +ATOM 25084 H HB3 . TYR A 1 67 ? 1.533 0.186 -0.693 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 16 +ATOM 25085 H HD1 . TYR A 1 67 ? 4.833 1.386 0.617 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 16 +ATOM 25086 H HD2 . TYR A 1 67 ? 0.612 1.724 0.752 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 16 +ATOM 25087 H HE1 . TYR A 1 67 ? 5.049 3.371 2.041 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 16 +ATOM 25088 H HE2 . TYR A 1 67 ? 0.804 3.700 2.159 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 16 +ATOM 25089 H HH . TYR A 1 67 ? 2.430 4.681 3.722 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 16 +ATOM 25090 N N . GLN A 1 68 ? 5.147 -1.479 -0.150 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 16 +ATOM 25091 C CA . GLN A 1 68 ? 6.548 -1.448 0.157 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 16 +ATOM 25092 C C . GLN A 1 68 ? 7.215 -0.385 -0.673 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 16 +ATOM 25093 O O . GLN A 1 68 ? 6.889 -0.212 -1.861 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 16 +ATOM 25094 C CB . GLN A 1 68 ? 7.226 -2.812 -0.021 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 16 +ATOM 25095 C CG . GLN A 1 68 ? 7.236 -3.364 -1.444 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 16 +ATOM 25096 C CD . GLN A 1 68 ? 7.979 -4.691 -1.562 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 16 +ATOM 25097 O OE1 . GLN A 1 68 ? 7.651 -5.524 -2.404 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 16 +ATOM 25098 N NE2 . GLN A 1 68 ? 8.993 -4.896 -0.735 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 16 +ATOM 25099 H H . GLN A 1 68 ? 4.854 -1.644 -1.075 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 16 +ATOM 25100 H HA . GLN A 1 68 ? 6.634 -1.138 1.187 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 16 +ATOM 25101 H HB2 . GLN A 1 68 ? 8.248 -2.733 0.314 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 16 +ATOM 25102 H HB3 . GLN A 1 68 ? 6.708 -3.518 0.610 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 16 +ATOM 25103 H HG2 . GLN A 1 68 ? 6.217 -3.516 -1.768 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 16 +ATOM 25104 H HG3 . GLN A 1 68 ? 7.711 -2.645 -2.095 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 16 +ATOM 25105 H HE21 . GLN A 1 68 ? 9.240 -4.208 -0.082 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 16 +ATOM 25106 H HE22 . GLN A 1 68 ? 9.460 -5.757 -0.809 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 16 +ATOM 25107 N N . VAL A 1 69 ? 8.101 0.355 -0.071 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 16 +ATOM 25108 C CA . VAL A 1 69 ? 8.780 1.382 -0.793 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 16 +ATOM 25109 C C . VAL A 1 69 ? 10.103 0.840 -1.279 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 16 +ATOM 25110 O O . VAL A 1 69 ? 10.919 0.319 -0.505 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 16 +ATOM 25111 C CB . VAL A 1 69 ? 8.964 2.724 0.018 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 16 +ATOM 25112 C CG1 . VAL A 1 69 ? 7.647 3.200 0.600 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 16 +ATOM 25113 C CG2 . VAL A 1 69 ? 10.022 2.630 1.103 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 16 +ATOM 25114 H H . VAL A 1 69 ? 8.329 0.176 0.870 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 16 +ATOM 25115 H HA . VAL A 1 69 ? 8.180 1.580 -1.669 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 16 +ATOM 25116 H HB . VAL A 1 69 ? 9.269 3.474 -0.698 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 16 +ATOM 25117 H HG11 . VAL A 1 69 ? 6.932 3.380 -0.187 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 16 +ATOM 25118 H HG12 . VAL A 1 69 ? 7.812 4.112 1.155 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 16 +ATOM 25119 H HG13 . VAL A 1 69 ? 7.262 2.445 1.269 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 16 +ATOM 25120 H HG21 . VAL A 1 69 ? 10.994 2.507 0.650 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 16 +ATOM 25121 H HG22 . VAL A 1 69 ? 9.813 1.750 1.689 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 16 +ATOM 25122 H HG23 . VAL A 1 69 ? 10.006 3.512 1.725 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 16 +ATOM 25123 N N . ILE A 1 70 ? 10.290 0.863 -2.547 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 16 +ATOM 25124 C CA . ILE A 1 70 ? 11.510 0.415 -3.094 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 16 +ATOM 25125 C C . ILE A 1 70 ? 12.338 1.640 -3.375 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 16 +ATOM 25126 O O . ILE A 1 70 ? 12.173 2.282 -4.408 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 16 +ATOM 25127 C CB . ILE A 1 70 ? 11.307 -0.385 -4.401 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 16 +ATOM 25128 C CG1 . ILE A 1 70 ? 10.215 -1.444 -4.219 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 16 +ATOM 25129 C CG2 . ILE A 1 70 ? 12.619 -1.056 -4.791 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 16 +ATOM 25130 C CD1 . ILE A 1 70 ? 9.857 -2.173 -5.492 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 16 +ATOM 25131 H H . ILE A 1 70 ? 9.593 1.203 -3.154 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 16 +ATOM 25132 H HA . ILE A 1 70 ? 12.008 -0.205 -2.362 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 16 +ATOM 25133 H HB . ILE A 1 70 ? 11.016 0.300 -5.183 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 16 +ATOM 25134 H HG12 . ILE A 1 70 ? 10.555 -2.177 -3.503 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 16 +ATOM 25135 H HG13 . ILE A 1 70 ? 9.321 -0.966 -3.845 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 16 +ATOM 25136 H HG21 . ILE A 1 70 ? 12.480 -1.619 -5.702 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 16 +ATOM 25137 H HG22 . ILE A 1 70 ? 12.932 -1.722 -4.002 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 16 +ATOM 25138 H HG23 . ILE A 1 70 ? 13.370 -0.298 -4.946 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 16 +ATOM 25139 H HD11 . ILE A 1 70 ? 10.732 -2.680 -5.868 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 16 +ATOM 25140 H HD12 . ILE A 1 70 ? 9.526 -1.450 -6.226 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 16 +ATOM 25141 H HD13 . ILE A 1 70 ? 9.072 -2.888 -5.300 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 16 +ATOM 25142 N N . ASP A 1 71 ? 13.198 1.979 -2.446 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 16 +ATOM 25143 C CA . ASP A 1 71 ? 14.049 3.171 -2.543 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 16 +ATOM 25144 C C . ASP A 1 71 ? 15.057 2.969 -3.653 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 16 +ATOM 25145 O O . ASP A 1 71 ? 15.461 3.906 -4.335 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 16 +ATOM 25146 C CB . ASP A 1 71 ? 14.756 3.418 -1.205 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 16 +ATOM 25147 C CG . ASP A 1 71 ? 15.489 4.743 -1.140 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 16 +ATOM 25148 O OD1 . ASP A 1 71 ? 16.684 4.806 -1.488 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 16 +ATOM 25149 O OD2 . ASP A 1 71 ? 14.892 5.739 -0.688 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 16 +ATOM 25150 H H . ASP A 1 71 ? 13.259 1.411 -1.647 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 16 +ATOM 25151 H HA . ASP A 1 71 ? 13.429 4.020 -2.790 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 16 +ATOM 25152 H HB2 . ASP A 1 71 ? 14.024 3.405 -0.411 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 16 +ATOM 25153 H HB3 . ASP A 1 71 ? 15.470 2.624 -1.039 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 16 +ATOM 25154 N N . GLU A 1 72 ? 15.382 1.701 -3.868 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 16 +ATOM 25155 C CA . GLU A 1 72 ? 16.294 1.253 -4.917 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 16 +ATOM 25156 C C . GLU A 1 72 ? 15.775 1.701 -6.288 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 16 +ATOM 25157 O O . GLU A 1 72 ? 16.535 2.089 -7.166 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 16 +ATOM 25158 C CB . GLU A 1 72 ? 16.337 -0.276 -4.920 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 16 +ATOM 25159 C CG . GLU A 1 72 ? 16.579 -0.914 -3.563 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 16 +ATOM 25160 C CD . GLU A 1 72 ? 16.468 -2.410 -3.623 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 16 +ATOM 25161 O OE1 . GLU A 1 72 ? 15.336 -2.927 -3.715 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 16 +ATOM 25162 O OE2 . GLU A 1 72 ? 17.495 -3.101 -3.605 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 16 +ATOM 25163 H H . GLU A 1 72 ? 14.994 1.037 -3.261 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 16 +ATOM 25164 H HA . GLU A 1 72 ? 17.286 1.635 -4.734 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 16 +ATOM 25165 H HB2 . GLU A 1 72 ? 15.397 -0.646 -5.299 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 16 +ATOM 25166 H HB3 . GLU A 1 72 ? 17.123 -0.595 -5.588 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 16 +ATOM 25167 H HG2 . GLU A 1 72 ? 17.573 -0.663 -3.226 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 16 +ATOM 25168 H HG3 . GLU A 1 72 ? 15.852 -0.541 -2.858 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 16 +ATOM 25169 N N . LYS A 1 73 ? 14.466 1.635 -6.452 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 16 +ATOM 25170 C CA . LYS A 1 73 ? 13.831 1.957 -7.713 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 16 +ATOM 25171 C C . LYS A 1 73 ? 13.078 3.292 -7.642 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 16 +ATOM 25172 O O . LYS A 1 73 ? 12.543 3.763 -8.647 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 16 +ATOM 25173 C CB . LYS A 1 73 ? 12.871 0.839 -8.108 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 16 +ATOM 25174 C CG . LYS A 1 73 ? 13.516 -0.519 -8.323 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 16 +ATOM 25175 C CD . LYS A 1 73 ? 12.456 -1.570 -8.618 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 16 +ATOM 25176 C CE . LYS A 1 73 ? 13.055 -2.954 -8.774 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 16 +ATOM 25177 N NZ . LYS A 1 73 ? 12.017 -3.974 -9.034 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 16 +ATOM 25178 H H . LYS A 1 73 ? 13.908 1.371 -5.691 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 16 +ATOM 25179 H HA . LYS A 1 73 ? 14.602 2.021 -8.464 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 16 +ATOM 25180 H HB2 . LYS A 1 73 ? 12.164 0.718 -7.300 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 16 +ATOM 25181 H HB3 . LYS A 1 73 ? 12.347 1.120 -9.009 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 16 +ATOM 25182 H HG2 . LYS A 1 73 ? 14.199 -0.456 -9.157 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 16 +ATOM 25183 H HG3 . LYS A 1 73 ? 14.055 -0.797 -7.429 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 16 +ATOM 25184 H HD2 . LYS A 1 73 ? 11.737 -1.590 -7.813 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 16 +ATOM 25185 H HD3 . LYS A 1 73 ? 11.955 -1.299 -9.536 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 16 +ATOM 25186 H HE2 . LYS A 1 73 ? 13.756 -2.943 -9.594 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 16 +ATOM 25187 H HE3 . LYS A 1 73 ? 13.576 -3.207 -7.863 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 16 +ATOM 25188 H HZ1 . LYS A 1 73 ? 11.458 -3.730 -9.875 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 16 +ATOM 25189 H HZ2 . LYS A 1 73 ? 11.377 -4.097 -8.226 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 16 +ATOM 25190 H HZ3 . LYS A 1 73 ? 12.454 -4.900 -9.214 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 16 +ATOM 25191 N N . VAL A 1 74 ? 13.048 3.890 -6.446 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 16 +ATOM 25192 C CA . VAL A 1 74 ? 12.336 5.161 -6.167 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 16 +ATOM 25193 C C . VAL A 1 74 ? 10.798 4.978 -6.422 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 16 +ATOM 25194 O O . VAL A 1 74 ? 10.066 5.914 -6.708 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 16 +ATOM 25195 C CB . VAL A 1 74 ? 12.936 6.368 -7.011 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 16 +ATOM 25196 C CG1 . VAL A 1 74 ? 12.369 7.725 -6.571 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 16 +ATOM 25197 C CG2 . VAL A 1 74 ? 14.458 6.398 -6.914 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 16 +ATOM 25198 H H . VAL A 1 74 ? 13.526 3.468 -5.701 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 16 +ATOM 25199 H HA . VAL A 1 74 ? 12.466 5.356 -5.111 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 16 +ATOM 25200 H HB . VAL A 1 74 ? 12.667 6.214 -8.046 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 16 +ATOM 25201 H HG11 . VAL A 1 74 ? 11.299 7.729 -6.710 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 16 +ATOM 25202 H HG12 . VAL A 1 74 ? 12.811 8.516 -7.159 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 16 +ATOM 25203 H HG13 . VAL A 1 74 ? 12.593 7.891 -5.527 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 16 +ATOM 25204 H HG21 . VAL A 1 74 ? 14.845 7.219 -7.498 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 16 +ATOM 25205 H HG22 . VAL A 1 74 ? 14.863 5.467 -7.286 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 16 +ATOM 25206 H HG23 . VAL A 1 74 ? 14.749 6.523 -5.881 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 16 +ATOM 25207 N N . VAL A 1 75 ? 10.311 3.770 -6.231 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 16 +ATOM 25208 C CA . VAL A 1 75 ? 8.908 3.477 -6.480 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 16 +ATOM 25209 C C . VAL A 1 75 ? 8.284 2.727 -5.307 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 16 +ATOM 25210 O O . VAL A 1 75 ? 8.922 1.897 -4.670 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 16 +ATOM 25211 C CB . VAL A 1 75 ? 8.699 2.695 -7.828 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 16 +ATOM 25212 C CG1 . VAL A 1 75 ? 9.465 1.398 -7.841 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 16 +ATOM 25213 C CG2 . VAL A 1 75 ? 7.220 2.445 -8.126 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 16 +ATOM 25214 H H . VAL A 1 75 ? 10.890 3.063 -5.872 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 16 +ATOM 25215 H HA . VAL A 1 75 ? 8.407 4.431 -6.559 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 16 +ATOM 25216 H HB . VAL A 1 75 ? 9.106 3.302 -8.623 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 16 +ATOM 25217 H HG11 . VAL A 1 75 ? 9.121 0.766 -7.035 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 16 +ATOM 25218 H HG12 . VAL A 1 75 ? 10.511 1.627 -7.707 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 16 +ATOM 25219 H HG13 . VAL A 1 75 ? 9.324 0.901 -8.789 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 16 +ATOM 25220 H HG21 . VAL A 1 75 ? 7.124 1.905 -9.056 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 16 +ATOM 25221 H HG22 . VAL A 1 75 ? 6.690 3.384 -8.195 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 16 +ATOM 25222 H HG23 . VAL A 1 75 ? 6.791 1.855 -7.329 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 16 +ATOM 25223 N N . VAL A 1 76 ? 7.072 3.068 -5.012 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 16 +ATOM 25224 C CA . VAL A 1 76 ? 6.300 2.466 -3.970 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 16 +ATOM 25225 C C . VAL A 1 76 ? 5.305 1.493 -4.601 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 16 +ATOM 25226 O O . VAL A 1 76 ? 4.496 1.890 -5.437 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 16 +ATOM 25227 C CB . VAL A 1 76 ? 5.518 3.559 -3.196 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 16 +ATOM 25228 C CG1 . VAL A 1 76 ? 4.681 2.965 -2.094 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 16 +ATOM 25229 C CG2 . VAL A 1 76 ? 6.457 4.624 -2.648 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 16 +ATOM 25230 H H . VAL A 1 76 ? 6.636 3.780 -5.529 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 16 +ATOM 25231 H HA . VAL A 1 76 ? 6.955 1.948 -3.288 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 16 +ATOM 25232 H HB . VAL A 1 76 ? 4.852 4.034 -3.900 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 16 +ATOM 25233 H HG11 . VAL A 1 76 ? 5.317 2.440 -1.398 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 16 +ATOM 25234 H HG12 . VAL A 1 76 ? 3.966 2.276 -2.520 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 16 +ATOM 25235 H HG13 . VAL A 1 76 ? 4.152 3.753 -1.577 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 16 +ATOM 25236 H HG21 . VAL A 1 76 ? 5.894 5.346 -2.075 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 16 +ATOM 25237 H HG22 . VAL A 1 76 ? 6.937 5.126 -3.476 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 16 +ATOM 25238 H HG23 . VAL A 1 76 ? 7.212 4.167 -2.026 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 16 +ATOM 25239 N N . PHE A 1 77 ? 5.379 0.245 -4.226 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 16 +ATOM 25240 C CA . PHE A 1 77 ? 4.477 -0.763 -4.748 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 16 +ATOM 25241 C C . PHE A 1 77 ? 3.477 -1.196 -3.721 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 16 +ATOM 25242 O O . PHE A 1 77 ? 3.851 -1.678 -2.646 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 16 +ATOM 25243 C CB . PHE A 1 77 ? 5.220 -1.993 -5.271 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 16 +ATOM 25244 C CG . PHE A 1 77 ? 5.633 -1.910 -6.705 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 16 +ATOM 25245 C CD1 . PHE A 1 77 ? 6.823 -1.327 -7.073 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 16 +ATOM 25246 C CD2 . PHE A 1 77 ? 4.815 -2.437 -7.690 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 16 +ATOM 25247 C CE1 . PHE A 1 77 ? 7.196 -1.269 -8.400 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 16 +ATOM 25248 C CE2 . PHE A 1 77 ? 5.183 -2.382 -9.014 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 16 +ATOM 25249 C CZ . PHE A 1 77 ? 6.375 -1.797 -9.370 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 16 +ATOM 25250 H H . PHE A 1 77 ? 6.042 -0.011 -3.544 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 16 +ATOM 25251 H HA . PHE A 1 77 ? 3.945 -0.317 -5.576 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 16 +ATOM 25252 H HB2 . PHE A 1 77 ? 6.115 -2.138 -4.683 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 16 +ATOM 25253 H HB3 . PHE A 1 77 ? 4.583 -2.856 -5.154 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 16 +ATOM 25254 H HD1 . PHE A 1 77 ? 7.466 -0.913 -6.310 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 16 +ATOM 25255 H HD2 . PHE A 1 77 ? 3.879 -2.896 -7.411 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 16 +ATOM 25256 H HE1 . PHE A 1 77 ? 8.132 -0.810 -8.678 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 16 +ATOM 25257 H HE2 . PHE A 1 77 ? 4.535 -2.797 -9.772 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 16 +ATOM 25258 H HZ . PHE A 1 77 ? 6.666 -1.751 -10.409 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 16 +ATOM 25259 N N . VAL A 1 78 ? 2.218 -1.012 -4.035 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 16 +ATOM 25260 C CA . VAL A 1 78 ? 1.146 -1.491 -3.194 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 16 +ATOM 25261 C C . VAL A 1 78 ? 1.046 -3.001 -3.372 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 16 +ATOM 25262 O O . VAL A 1 78 ? 0.914 -3.492 -4.505 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 16 +ATOM 25263 C CB . VAL A 1 78 ? -0.208 -0.810 -3.535 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 16 +ATOM 25264 C CG1 . VAL A 1 78 ? -1.336 -1.344 -2.654 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 16 +ATOM 25265 C CG2 . VAL A 1 78 ? -0.093 0.701 -3.394 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 16 +ATOM 25266 H H . VAL A 1 78 ? 2.005 -0.532 -4.867 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 16 +ATOM 25267 H HA . VAL A 1 78 ? 1.415 -1.283 -2.168 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 16 +ATOM 25268 H HB . VAL A 1 78 ? -0.451 -1.038 -4.562 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 16 +ATOM 25269 H HG11 . VAL A 1 78 ? -1.099 -1.160 -1.617 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 16 +ATOM 25270 H HG12 . VAL A 1 78 ? -1.448 -2.406 -2.814 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 16 +ATOM 25271 H HG13 . VAL A 1 78 ? -2.260 -0.845 -2.904 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 16 +ATOM 25272 H HG21 . VAL A 1 78 ? -1.041 1.161 -3.629 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 16 +ATOM 25273 H HG22 . VAL A 1 78 ? 0.663 1.069 -4.073 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 16 +ATOM 25274 H HG23 . VAL A 1 78 ? 0.187 0.949 -2.381 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 16 +ATOM 25275 N N . ILE A 1 79 ? 1.139 -3.722 -2.275 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 16 +ATOM 25276 C CA . ILE A 1 79 ? 1.174 -5.169 -2.318 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 16 +ATOM 25277 C C . ILE A 1 79 ? -0.224 -5.750 -2.148 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 16 +ATOM 25278 O O . ILE A 1 79 ? -0.611 -6.682 -2.858 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 16 +ATOM 25279 C CB . ILE A 1 79 ? 2.089 -5.736 -1.193 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 16 +ATOM 25280 C CG1 . ILE A 1 79 ? 3.492 -5.111 -1.259 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 16 +ATOM 25281 C CG2 . ILE A 1 79 ? 2.183 -7.255 -1.298 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 16 +ATOM 25282 C CD1 . ILE A 1 79 ? 4.413 -5.556 -0.132 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 16 +ATOM 25283 H H . ILE A 1 79 ? 1.167 -3.270 -1.403 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 16 +ATOM 25284 H HA . ILE A 1 79 ? 1.580 -5.475 -3.270 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 16 +ATOM 25285 H HB . ILE A 1 79 ? 1.641 -5.492 -0.239 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 16 +ATOM 25286 H HG12 . ILE A 1 79 ? 3.958 -5.389 -2.192 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 16 +ATOM 25287 H HG13 . ILE A 1 79 ? 3.402 -4.036 -1.212 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 16 +ATOM 25288 H HG21 . ILE A 1 79 ? 2.534 -7.519 -2.283 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 16 +ATOM 25289 H HG22 . ILE A 1 79 ? 1.213 -7.696 -1.123 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 16 +ATOM 25290 H HG23 . ILE A 1 79 ? 2.888 -7.615 -0.563 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 16 +ATOM 25291 H HD11 . ILE A 1 79 ? 5.377 -5.085 -0.252 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 16 +ATOM 25292 H HD12 . ILE A 1 79 ? 4.528 -6.629 -0.161 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 16 +ATOM 25293 H HD13 . ILE A 1 79 ? 3.986 -5.263 0.817 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 16 +ATOM 25294 N N . SER A 1 80 ? -0.977 -5.185 -1.230 1.00 0.00 ? ? ? ? ? ? 77 SER A N 16 +ATOM 25295 C CA . SER A 1 80 ? -2.294 -5.668 -0.931 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 16 +ATOM 25296 C C . SER A 1 80 ? -3.095 -4.521 -0.338 1.00 0.00 ? ? ? ? ? ? 77 SER A C 16 +ATOM 25297 O O . SER A 1 80 ? -2.516 -3.600 0.279 1.00 0.00 ? ? ? ? ? ? 77 SER A O 16 +ATOM 25298 C CB . SER A 1 80 ? -2.203 -6.853 0.063 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 16 +ATOM 25299 O OG . SER A 1 80 ? -3.466 -7.469 0.286 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 16 +ATOM 25300 H H . SER A 1 80 ? -0.666 -4.403 -0.723 1.00 0.00 ? ? ? ? ? ? 77 SER A H 16 +ATOM 25301 H HA . SER A 1 80 ? -2.760 -6.002 -1.847 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 16 +ATOM 25302 H HB2 . SER A 1 80 ? -1.529 -7.597 -0.336 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 16 +ATOM 25303 H HB3 . SER A 1 80 ? -1.818 -6.494 1.006 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 16 +ATOM 25304 H HG . SER A 1 80 ? -3.993 -7.345 -0.528 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 16 +ATOM 25305 N N . VAL A 1 81 ? -4.387 -4.548 -0.540 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 16 +ATOM 25306 C CA . VAL A 1 81 ? -5.254 -3.512 -0.059 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 16 +ATOM 25307 C C . VAL A 1 81 ? -6.639 -4.078 0.266 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 16 +ATOM 25308 O O . VAL A 1 81 ? -7.203 -4.868 -0.497 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 16 +ATOM 25309 C CB . VAL A 1 81 ? -5.343 -2.322 -1.081 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 16 +ATOM 25310 C CG1 . VAL A 1 81 ? -5.782 -2.780 -2.461 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 16 +ATOM 25311 C CG2 . VAL A 1 81 ? -6.255 -1.221 -0.575 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 16 +ATOM 25312 H H . VAL A 1 81 ? -4.793 -5.316 -1.014 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 16 +ATOM 25313 H HA . VAL A 1 81 ? -4.822 -3.144 0.859 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 16 +ATOM 25314 H HB . VAL A 1 81 ? -4.348 -1.913 -1.185 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 16 +ATOM 25315 H HG11 . VAL A 1 81 ? -5.078 -3.506 -2.840 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 16 +ATOM 25316 H HG12 . VAL A 1 81 ? -5.822 -1.935 -3.130 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 16 +ATOM 25317 H HG13 . VAL A 1 81 ? -6.761 -3.232 -2.394 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 16 +ATOM 25318 H HG21 . VAL A 1 81 ? -6.284 -0.420 -1.300 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 16 +ATOM 25319 H HG22 . VAL A 1 81 ? -5.873 -0.844 0.362 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 16 +ATOM 25320 H HG23 . VAL A 1 81 ? -7.250 -1.614 -0.428 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 16 +ATOM 25321 N N . GLY A 1 82 ? -7.158 -3.729 1.413 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 16 +ATOM 25322 C CA . GLY A 1 82 ? -8.464 -4.162 1.755 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 16 +ATOM 25323 C C . GLY A 1 82 ? -8.685 -4.033 3.206 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 16 +ATOM 25324 O O . GLY A 1 82 ? -8.711 -2.931 3.738 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 16 +ATOM 25325 H H . GLY A 1 82 ? -6.657 -3.195 2.074 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 16 +ATOM 25326 H HA2 . GLY A 1 82 ? -9.188 -3.557 1.228 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 16 +ATOM 25327 H HA3 . GLY A 1 82 ? -8.586 -5.195 1.469 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 16 +ATOM 25328 N N . LYS A 1 83 ? -8.796 -5.127 3.870 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 16 +ATOM 25329 C CA . LYS A 1 83 ? -9.026 -5.114 5.282 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 16 +ATOM 25330 C C . LYS A 1 83 ? -8.090 -6.072 5.946 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 16 +ATOM 25331 O O . LYS A 1 83 ? -7.579 -7.006 5.311 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 16 +ATOM 25332 C CB . LYS A 1 83 ? -10.455 -5.531 5.608 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 16 +ATOM 25333 C CG . LYS A 1 83 ? -11.551 -4.627 5.060 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 16 +ATOM 25334 C CD . LYS A 1 83 ? -12.923 -5.159 5.437 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 16 +ATOM 25335 C CE . LYS A 1 83 ? -13.220 -6.494 4.764 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 16 +ATOM 25336 N NZ . LYS A 1 83 ? -14.430 -7.121 5.309 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 16 +ATOM 25337 H H . LYS A 1 83 ? -8.699 -5.991 3.407 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 16 +ATOM 25338 H HA . LYS A 1 83 ? -8.859 -4.116 5.659 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 16 +ATOM 25339 H HB2 . LYS A 1 83 ? -10.602 -6.523 5.213 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 16 +ATOM 25340 H HB3 . LYS A 1 83 ? -10.555 -5.574 6.683 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 16 +ATOM 25341 H HG2 . LYS A 1 83 ? -11.430 -3.636 5.475 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 16 +ATOM 25342 H HG3 . LYS A 1 83 ? -11.468 -4.584 3.984 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 16 +ATOM 25343 H HD2 . LYS A 1 83 ? -12.954 -5.303 6.506 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 16 +ATOM 25344 H HD3 . LYS A 1 83 ? -13.675 -4.440 5.147 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 16 +ATOM 25345 H HE2 . LYS A 1 83 ? -13.360 -6.332 3.706 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 16 +ATOM 25346 H HE3 . LYS A 1 83 ? -12.391 -7.170 4.907 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 16 +ATOM 25347 H HZ1 . LYS A 1 83 ? -15.241 -6.472 5.264 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 16 +ATOM 25348 H HZ2 . LYS A 1 83 ? -14.238 -7.421 6.292 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 16 +ATOM 25349 H HZ3 . LYS A 1 83 ? -14.657 -7.973 4.758 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 16 +ATOM 25350 N N . ALA A 1 84 ? -7.861 -5.869 7.199 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 16 +ATOM 25351 C CA . ALA A 1 84 ? -7.077 -6.778 7.935 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 16 +ATOM 25352 C C . ALA A 1 84 ? -8.001 -7.826 8.503 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 16 +ATOM 25353 O O . ALA A 1 84 ? -8.093 -8.913 7.938 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 16 +ATOM 25354 C CB . ALA A 1 84 ? -6.269 -6.074 9.015 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 16 +ATOM 25355 H H . ALA A 1 84 ? -8.263 -5.098 7.657 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 16 +ATOM 25356 H HA . ALA A 1 84 ? -6.403 -7.260 7.243 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 16 +ATOM 25357 H HB1 . ALA A 1 84 ? -5.680 -6.797 9.558 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 16 +ATOM 25358 H HB2 . ALA A 1 84 ? -6.932 -5.559 9.694 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 16 +ATOM 25359 H HB3 . ALA A 1 84 ? -5.610 -5.360 8.546 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 16 +ATOM 25360 N N . GLU A 1 85 ? -8.703 -7.459 9.598 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 16 +ATOM 25361 C CA . GLU A 1 85 ? -9.711 -8.258 10.369 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 16 +ATOM 25362 C C . GLU A 1 85 ? -9.157 -9.577 10.925 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 16 +ATOM 25363 O O . GLU A 1 85 ? -9.383 -9.939 12.078 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 16 +ATOM 25364 C CB . GLU A 1 85 ? -11.025 -8.459 9.581 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 16 +ATOM 25365 C CG . GLU A 1 85 ? -11.628 -7.142 9.102 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 16 +ATOM 25366 C CD . GLU A 1 85 ? -13.062 -7.234 8.625 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 16 +ATOM 25367 O OE1 . GLU A 1 85 ? -13.347 -7.921 7.632 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 16 +ATOM 25368 O OE2 . GLU A 1 85 ? -13.941 -6.592 9.244 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 16 +ATOM 25369 H H . GLU A 1 85 ? -8.541 -6.559 9.938 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 16 +ATOM 25370 H HA . GLU A 1 85 ? -9.928 -7.654 11.239 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 16 +ATOM 25371 H HB2 . GLU A 1 85 ? -10.825 -9.082 8.721 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 16 +ATOM 25372 H HB3 . GLU A 1 85 ? -11.745 -8.953 10.217 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 16 +ATOM 25373 H HG2 . GLU A 1 85 ? -11.600 -6.447 9.926 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 16 +ATOM 25374 H HG3 . GLU A 1 85 ? -11.015 -6.759 8.300 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 16 +ATOM 25375 N N . ALA A 1 86 ? -8.455 -10.253 10.097 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 16 +ATOM 25376 C CA . ALA A 1 86 ? -7.789 -11.471 10.376 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 16 +ATOM 25377 C C . ALA A 1 86 ? -6.337 -11.299 9.947 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 16 +ATOM 25378 O O . ALA A 1 86 ? -5.608 -12.265 9.762 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 16 +ATOM 25379 C CB . ALA A 1 86 ? -8.448 -12.536 9.552 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 16 +ATOM 25380 H H . ALA A 1 86 ? -8.388 -9.899 9.181 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 16 +ATOM 25381 H HA . ALA A 1 86 ? -7.869 -11.719 11.424 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 16 +ATOM 25382 H HB1 . ALA A 1 86 ? -7.921 -13.472 9.648 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 16 +ATOM 25383 H HB2 . ALA A 1 86 ? -8.435 -12.185 8.530 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 16 +ATOM 25384 H HB3 . ALA A 1 86 ? -9.473 -12.630 9.879 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 16 +ATOM 25385 N N . SER A 1 87 ? -5.948 -10.027 9.798 1.00 0.00 ? ? ? ? ? ? 84 SER A N 16 +ATOM 25386 C CA . SER A 1 87 ? -4.620 -9.617 9.344 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 16 +ATOM 25387 C C . SER A 1 87 ? -4.332 -10.129 7.916 1.00 0.00 ? ? ? ? ? ? 84 SER A C 16 +ATOM 25388 O O . SER A 1 87 ? -3.176 -10.288 7.518 1.00 0.00 ? ? ? ? ? ? 84 SER A O 16 +ATOM 25389 C CB . SER A 1 87 ? -3.566 -10.077 10.361 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 16 +ATOM 25390 O OG . SER A 1 87 ? -3.877 -9.556 11.658 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 16 +ATOM 25391 H H . SER A 1 87 ? -6.589 -9.336 10.064 1.00 0.00 ? ? ? ? ? ? 84 SER A H 16 +ATOM 25392 H HA . SER A 1 87 ? -4.620 -8.538 9.305 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 16 +ATOM 25393 H HB2 . SER A 1 87 ? -3.553 -11.155 10.401 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 16 +ATOM 25394 H HB3 . SER A 1 87 ? -2.597 -9.709 10.061 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 16 +ATOM 25395 H HG . SER A 1 87 ? -3.276 -9.987 12.279 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 16 +ATOM 25396 N N . GLU A 1 88 ? -5.402 -10.235 7.118 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 16 +ATOM 25397 C CA . GLU A 1 88 ? -5.347 -10.797 5.768 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 16 +ATOM 25398 C C . GLU A 1 88 ? -4.369 -10.060 4.852 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 16 +ATOM 25399 O O . GLU A 1 88 ? -3.504 -10.685 4.262 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 16 +ATOM 25400 C CB . GLU A 1 88 ? -6.744 -10.832 5.161 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 16 +ATOM 25401 C CG . GLU A 1 88 ? -6.794 -11.317 3.725 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 16 +ATOM 25402 C CD . GLU A 1 88 ? -8.194 -11.425 3.207 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 16 +ATOM 25403 O OE1 . GLU A 1 88 ? -8.812 -10.390 2.898 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 16 +ATOM 25404 O OE2 . GLU A 1 88 ? -8.721 -12.561 3.111 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 16 +ATOM 25405 H H . GLU A 1 88 ? -6.273 -9.936 7.458 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 16 +ATOM 25406 H HA . GLU A 1 88 ? -4.998 -11.815 5.861 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 16 +ATOM 25407 H HB2 . GLU A 1 88 ? -7.366 -11.481 5.759 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 16 +ATOM 25408 H HB3 . GLU A 1 88 ? -7.149 -9.830 5.194 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 16 +ATOM 25409 H HG2 . GLU A 1 88 ? -6.253 -10.616 3.106 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 16 +ATOM 25410 H HG3 . GLU A 1 88 ? -6.320 -12.284 3.665 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 16 +ATOM 25411 N N . VAL A 1 89 ? -4.476 -8.737 4.768 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 16 +ATOM 25412 C CA . VAL A 1 89 ? -3.569 -7.948 3.907 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 16 +ATOM 25413 C C . VAL A 1 89 ? -2.083 -8.119 4.281 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 16 +ATOM 25414 O O . VAL A 1 89 ? -1.201 -7.977 3.441 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 16 +ATOM 25415 C CB . VAL A 1 89 ? -3.939 -6.435 3.854 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 16 +ATOM 25416 C CG1 . VAL A 1 89 ? -5.264 -6.235 3.149 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 16 +ATOM 25417 C CG2 . VAL A 1 89 ? -3.997 -5.825 5.250 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 16 +ATOM 25418 H H . VAL A 1 89 ? -5.196 -8.287 5.255 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 16 +ATOM 25419 H HA . VAL A 1 89 ? -3.686 -8.357 2.912 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 16 +ATOM 25420 H HB . VAL A 1 89 ? -3.177 -5.922 3.287 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 16 +ATOM 25421 H HG11 . VAL A 1 89 ? -5.190 -6.591 2.131 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 16 +ATOM 25422 H HG12 . VAL A 1 89 ? -5.514 -5.185 3.144 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 16 +ATOM 25423 H HG13 . VAL A 1 89 ? -6.033 -6.787 3.668 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 16 +ATOM 25424 H HG21 . VAL A 1 89 ? -4.260 -4.780 5.176 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 16 +ATOM 25425 H HG22 . VAL A 1 89 ? -3.031 -5.922 5.725 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 16 +ATOM 25426 H HG23 . VAL A 1 89 ? -4.740 -6.343 5.838 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 16 +ATOM 25427 N N . TYR A 1 90 ? -1.817 -8.475 5.524 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 16 +ATOM 25428 C CA . TYR A 1 90 ? -0.450 -8.650 5.975 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 16 +ATOM 25429 C C . TYR A 1 90 ? 0.026 -10.044 5.633 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 16 +ATOM 25430 O O . TYR A 1 90 ? 1.217 -10.266 5.391 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 16 +ATOM 25431 C CB . TYR A 1 90 ? -0.317 -8.342 7.470 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 16 +ATOM 25432 C CG . TYR A 1 90 ? -0.747 -6.933 7.798 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 16 +ATOM 25433 C CD1 . TYR A 1 90 ? 0.117 -5.871 7.612 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 16 +ATOM 25434 C CD2 . TYR A 1 90 ? -2.032 -6.662 8.249 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 16 +ATOM 25435 C CE1 . TYR A 1 90 ? -0.285 -4.580 7.856 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 16 +ATOM 25436 C CE2 . TYR A 1 90 ? -2.435 -5.369 8.505 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 16 +ATOM 25437 C CZ . TYR A 1 90 ? -1.556 -4.334 8.302 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 16 +ATOM 25438 O OH . TYR A 1 90 ? -1.965 -3.031 8.512 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 16 +ATOM 25439 H H . TYR A 1 90 ? -2.556 -8.658 6.141 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 16 +ATOM 25440 H HA . TYR A 1 90 ? 0.151 -7.950 5.412 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 16 +ATOM 25441 H HB2 . TYR A 1 90 ? -0.934 -9.026 8.028 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 16 +ATOM 25442 H HB3 . TYR A 1 90 ? 0.713 -8.459 7.775 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 16 +ATOM 25443 H HD1 . TYR A 1 90 ? 1.120 -6.063 7.262 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 16 +ATOM 25444 H HD2 . TYR A 1 90 ? -2.718 -7.481 8.408 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 16 +ATOM 25445 H HE1 . TYR A 1 90 ? 0.402 -3.761 7.705 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 16 +ATOM 25446 H HE2 . TYR A 1 90 ? -3.435 -5.172 8.858 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 16 +ATOM 25447 H HH . TYR A 1 90 ? -1.573 -2.504 7.806 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 16 +ATOM 25448 N N . SER A 1 91 ? -0.912 -10.970 5.574 1.00 0.00 ? ? ? ? ? ? 88 SER A N 16 +ATOM 25449 C CA . SER A 1 91 ? -0.639 -12.314 5.148 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 16 +ATOM 25450 C C . SER A 1 91 ? -0.327 -12.301 3.651 1.00 0.00 ? ? ? ? ? ? 88 SER A C 16 +ATOM 25451 O O . SER A 1 91 ? 0.650 -12.890 3.211 1.00 0.00 ? ? ? ? ? ? 88 SER A O 16 +ATOM 25452 C CB . SER A 1 91 ? -1.845 -13.202 5.446 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 16 +ATOM 25453 O OG . SER A 1 91 ? -2.180 -13.150 6.830 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 16 +ATOM 25454 H H . SER A 1 91 ? -1.834 -10.752 5.831 1.00 0.00 ? ? ? ? ? ? 88 SER A H 16 +ATOM 25455 H HA . SER A 1 91 ? 0.222 -12.684 5.683 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 16 +ATOM 25456 H HB2 . SER A 1 91 ? -2.689 -12.848 4.873 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 16 +ATOM 25457 H HB3 . SER A 1 91 ? -1.622 -14.224 5.178 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 16 +ATOM 25458 H HG . SER A 1 91 ? -1.430 -13.539 7.297 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 16 +ATOM 25459 N N . GLU A 1 92 ? -1.126 -11.547 2.894 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 16 +ATOM 25460 C CA . GLU A 1 92 ? -0.937 -11.408 1.449 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 16 +ATOM 25461 C C . GLU A 1 92 ? 0.431 -10.790 1.160 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 16 +ATOM 25462 O O . GLU A 1 92 ? 1.112 -11.160 0.192 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 16 +ATOM 25463 C CB . GLU A 1 92 ? -2.028 -10.516 0.851 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 16 +ATOM 25464 C CG . GLU A 1 92 ? -3.452 -10.975 1.132 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 16 +ATOM 25465 C CD . GLU A 1 92 ? -3.742 -12.344 0.599 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 16 +ATOM 25466 O OE1 . GLU A 1 92 ? -4.025 -12.466 -0.592 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 16 +ATOM 25467 O OE2 . GLU A 1 92 ? -3.709 -13.320 1.370 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 16 +ATOM 25468 H H . GLU A 1 92 ? -1.887 -11.090 3.319 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 16 +ATOM 25469 H HA . GLU A 1 92 ? -0.988 -12.386 0.997 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 16 +ATOM 25470 H HB2 . GLU A 1 92 ? -1.914 -9.521 1.256 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 16 +ATOM 25471 H HB3 . GLU A 1 92 ? -1.892 -10.469 -0.219 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 16 +ATOM 25472 H HG2 . GLU A 1 92 ? -3.607 -10.992 2.201 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 16 +ATOM 25473 H HG3 . GLU A 1 92 ? -4.139 -10.272 0.683 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 16 +ATOM 25474 N N . ALA A 1 93 ? 0.829 -9.865 2.022 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 16 +ATOM 25475 C CA . ALA A 1 93 ? 2.101 -9.194 1.907 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 16 +ATOM 25476 C C . ALA A 1 93 ? 3.262 -10.142 2.201 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 16 +ATOM 25477 O O . ALA A 1 93 ? 4.199 -10.243 1.409 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 16 +ATOM 25478 C CB . ALA A 1 93 ? 2.150 -7.976 2.816 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 16 +ATOM 25479 H H . ALA A 1 93 ? 0.216 -9.621 2.747 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 16 +ATOM 25480 H HA . ALA A 1 93 ? 2.188 -8.856 0.886 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 16 +ATOM 25481 H HB1 . ALA A 1 93 ? 3.076 -7.443 2.659 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 16 +ATOM 25482 H HB2 . ALA A 1 93 ? 2.089 -8.298 3.846 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 16 +ATOM 25483 H HB3 . ALA A 1 93 ? 1.317 -7.325 2.594 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 16 +ATOM 25484 N N . VAL A 1 94 ? 3.189 -10.872 3.315 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 16 +ATOM 25485 C CA . VAL A 1 94 ? 4.282 -11.772 3.690 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 16 +ATOM 25486 C C . VAL A 1 94 ? 4.368 -12.970 2.725 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 16 +ATOM 25487 O O . VAL A 1 94 ? 5.445 -13.518 2.495 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 16 +ATOM 25488 C CB . VAL A 1 94 ? 4.209 -12.238 5.189 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 16 +ATOM 25489 C CG1 . VAL A 1 94 ? 3.002 -13.109 5.463 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 16 +ATOM 25490 C CG2 . VAL A 1 94 ? 5.496 -12.932 5.627 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 16 +ATOM 25491 H H . VAL A 1 94 ? 2.394 -10.798 3.889 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 16 +ATOM 25492 H HA . VAL A 1 94 ? 5.190 -11.203 3.547 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 16 +ATOM 25493 H HB . VAL A 1 94 ? 4.094 -11.345 5.787 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 16 +ATOM 25494 H HG11 . VAL A 1 94 ? 2.116 -12.550 5.204 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 16 +ATOM 25495 H HG12 . VAL A 1 94 ? 2.974 -13.374 6.511 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 16 +ATOM 25496 H HG13 . VAL A 1 94 ? 3.055 -14.001 4.857 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 16 +ATOM 25497 H HG21 . VAL A 1 94 ? 5.662 -13.802 5.011 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 16 +ATOM 25498 H HG22 . VAL A 1 94 ? 5.408 -13.234 6.661 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 16 +ATOM 25499 H HG23 . VAL A 1 94 ? 6.327 -12.252 5.522 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 16 +ATOM 25500 N N . LYS A 1 95 ? 3.241 -13.322 2.108 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 16 +ATOM 25501 C CA . LYS A 1 95 ? 3.204 -14.404 1.127 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 16 +ATOM 25502 C C . LYS A 1 95 ? 3.931 -14.057 -0.169 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 16 +ATOM 25503 O O . LYS A 1 95 ? 4.176 -14.928 -0.999 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 16 +ATOM 25504 C CB . LYS A 1 95 ? 1.776 -14.897 0.845 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 16 +ATOM 25505 C CG . LYS A 1 95 ? 1.142 -15.715 1.975 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 16 +ATOM 25506 C CD . LYS A 1 95 ? 2.025 -16.889 2.392 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 16 +ATOM 25507 C CE . LYS A 1 95 ? 2.342 -17.821 1.228 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 16 +ATOM 25508 N NZ . LYS A 1 95 ? 3.332 -18.833 1.616 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 16 +ATOM 25509 H H . LYS A 1 95 ? 2.403 -12.863 2.339 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 16 +ATOM 25510 H HA . LYS A 1 95 ? 3.761 -15.218 1.564 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 16 +ATOM 25511 H HB2 . LYS A 1 95 ? 1.159 -14.020 0.713 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 16 +ATOM 25512 H HB3 . LYS A 1 95 ? 1.759 -15.481 -0.063 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 16 +ATOM 25513 H HG2 . LYS A 1 95 ? 0.991 -15.073 2.830 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 16 +ATOM 25514 H HG3 . LYS A 1 95 ? 0.188 -16.094 1.639 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 16 +ATOM 25515 H HD2 . LYS A 1 95 ? 2.949 -16.516 2.807 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 16 +ATOM 25516 H HD3 . LYS A 1 95 ? 1.504 -17.450 3.154 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 16 +ATOM 25517 H HE2 . LYS A 1 95 ? 1.436 -18.314 0.908 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 16 +ATOM 25518 H HE3 . LYS A 1 95 ? 2.741 -17.239 0.411 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 16 +ATOM 25519 H HZ1 . LYS A 1 95 ? 2.985 -19.413 2.404 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 16 +ATOM 25520 H HZ2 . LYS A 1 95 ? 4.220 -18.357 1.895 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 16 +ATOM 25521 H HZ3 . LYS A 1 95 ? 3.547 -19.454 0.812 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 16 +ATOM 25522 N N . ARG A 1 96 ? 4.272 -12.797 -0.343 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 16 +ATOM 25523 C CA . ARG A 1 96 ? 5.076 -12.396 -1.482 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 16 +ATOM 25524 C C . ARG A 1 96 ? 6.530 -12.709 -1.214 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 16 +ATOM 25525 O O . ARG A 1 96 ? 7.317 -12.921 -2.132 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 16 +ATOM 25526 C CB . ARG A 1 96 ? 4.927 -10.905 -1.776 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 16 +ATOM 25527 C CG . ARG A 1 96 ? 3.586 -10.501 -2.351 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 16 +ATOM 25528 C CD . ARG A 1 96 ? 3.349 -11.139 -3.714 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 16 +ATOM 25529 N NE . ARG A 1 96 ? 4.439 -10.847 -4.668 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 16 +ATOM 25530 C CZ . ARG A 1 96 ? 4.332 -10.075 -5.759 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 16 +ATOM 25531 N NH1 . ARG A 1 96 ? 3.198 -9.447 -6.018 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 16 +ATOM 25532 N NH2 . ARG A 1 96 ? 5.362 -9.938 -6.586 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 16 +ATOM 25533 H H . ARG A 1 96 ? 3.971 -12.125 0.305 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 16 +ATOM 25534 H HA . ARG A 1 96 ? 4.755 -12.962 -2.342 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 16 +ATOM 25535 H HB2 . ARG A 1 96 ? 5.071 -10.359 -0.855 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 16 +ATOM 25536 H HB3 . ARG A 1 96 ? 5.698 -10.615 -2.475 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 16 +ATOM 25537 H HG2 . ARG A 1 96 ? 2.804 -10.812 -1.675 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 16 +ATOM 25538 H HG3 . ARG A 1 96 ? 3.562 -9.428 -2.460 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 16 +ATOM 25539 H HD2 . ARG A 1 96 ? 3.270 -12.209 -3.593 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 16 +ATOM 25540 H HD3 . ARG A 1 96 ? 2.422 -10.761 -4.116 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 16 +ATOM 25541 H HE . ARG A 1 96 ? 5.291 -11.304 -4.475 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 16 +ATOM 25542 H HH11 . ARG A 1 96 ? 2.392 -9.522 -5.434 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 16 +ATOM 25543 H HH12 . ARG A 1 96 ? 3.079 -8.848 -6.824 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 16 +ATOM 25544 H HH21 . ARG A 1 96 ? 6.240 -10.399 -6.429 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 16 +ATOM 25545 H HH22 . ARG A 1 96 ? 5.319 -9.370 -7.412 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 16 +ATOM 25546 N N . ILE A 1 97 ? 6.871 -12.766 0.043 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 16 +ATOM 25547 C CA . ILE A 1 97 ? 8.230 -12.971 0.435 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 16 +ATOM 25548 C C . ILE A 1 97 ? 8.462 -14.444 0.759 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 16 +ATOM 25549 O O . ILE A 1 97 ? 9.413 -15.052 0.255 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 16 +ATOM 25550 C CB . ILE A 1 97 ? 8.589 -12.084 1.649 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 16 +ATOM 25551 C CG1 . ILE A 1 97 ? 8.183 -10.630 1.355 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 16 +ATOM 25552 C CG2 . ILE A 1 97 ? 10.094 -12.160 1.935 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 16 +ATOM 25553 C CD1 . ILE A 1 97 ? 8.355 -9.689 2.521 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 16 +ATOM 25554 H H . ILE A 1 97 ? 6.175 -12.690 0.730 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 16 +ATOM 25555 H HA . ILE A 1 97 ? 8.861 -12.693 -0.396 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 16 +ATOM 25556 H HB . ILE A 1 97 ? 8.042 -12.429 2.513 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 16 +ATOM 25557 H HG12 . ILE A 1 97 ? 8.782 -10.254 0.539 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 16 +ATOM 25558 H HG13 . ILE A 1 97 ? 7.143 -10.615 1.064 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 16 +ATOM 25559 H HG21 . ILE A 1 97 ? 10.371 -13.183 2.145 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 16 +ATOM 25560 H HG22 . ILE A 1 97 ? 10.329 -11.543 2.789 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 16 +ATOM 25561 H HG23 . ILE A 1 97 ? 10.642 -11.807 1.075 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 16 +ATOM 25562 H HD11 . ILE A 1 97 ? 8.037 -8.700 2.228 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 16 +ATOM 25563 H HD12 . ILE A 1 97 ? 9.395 -9.664 2.811 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 16 +ATOM 25564 H HD13 . ILE A 1 97 ? 7.752 -10.031 3.350 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 16 +ATOM 25565 N N . LEU A 1 98 ? 7.594 -15.012 1.583 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 16 +ATOM 25566 C CA . LEU A 1 98 ? 7.690 -16.409 1.956 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 16 +ATOM 25567 C C . LEU A 1 98 ? 6.451 -17.157 1.478 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 16 +ATOM 25568 O O . LEU A 1 98 ? 6.404 -17.536 0.303 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 16 +ATOM 25569 C CB . LEU A 1 98 ? 7.861 -16.617 3.490 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 16 +ATOM 25570 C CG . LEU A 1 98 ? 9.112 -16.034 4.190 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 16 +ATOM 25571 C CD1 . LEU A 1 98 ? 10.396 -16.359 3.441 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 16 +ATOM 25572 C CD2 . LEU A 1 98 ? 8.972 -14.545 4.471 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 16 +ATOM 25573 O OXT . LEU A 1 98 ? 5.522 -17.403 2.291 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 16 +ATOM 25574 H H . LEU A 1 98 ? 6.841 -14.492 1.943 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 16 +ATOM 25575 H HA . LEU A 1 98 ? 8.550 -16.819 1.448 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 16 +ATOM 25576 H HB2 . LEU A 1 98 ? 7.000 -16.179 3.969 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 16 +ATOM 25577 H HB3 . LEU A 1 98 ? 7.838 -17.680 3.678 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 16 +ATOM 25578 H HG . LEU A 1 98 ? 9.200 -16.544 5.140 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 16 +ATOM 25579 H HD11 . LEU A 1 98 ? 11.239 -15.948 3.977 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 16 +ATOM 25580 H HD12 . LEU A 1 98 ? 10.357 -15.921 2.455 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 16 +ATOM 25581 H HD13 . LEU A 1 98 ? 10.509 -17.430 3.356 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 16 +ATOM 25582 H HD21 . LEU A 1 98 ? 8.122 -14.377 5.115 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 16 +ATOM 25583 H HD22 . LEU A 1 98 ? 8.827 -14.021 3.537 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 16 +ATOM 25584 H HD23 . LEU A 1 98 ? 9.868 -14.181 4.951 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 16 +ATOM 25585 N N . MET A 1 4 ? 9.821 15.819 -3.054 1.00 0.00 ? ? ? ? ? ? 1 MET A N 17 +ATOM 25586 C CA . MET A 1 4 ? 10.138 14.729 -3.951 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 17 +ATOM 25587 C C . MET A 1 4 ? 8.990 13.769 -3.945 1.00 0.00 ? ? ? ? ? ? 1 MET A C 17 +ATOM 25588 O O . MET A 1 4 ? 8.218 13.746 -2.996 1.00 0.00 ? ? ? ? ? ? 1 MET A O 17 +ATOM 25589 C CB . MET A 1 4 ? 11.450 14.011 -3.545 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 17 +ATOM 25590 C CG . MET A 1 4 ? 11.418 13.291 -2.197 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 17 +ATOM 25591 S SD . MET A 1 4 ? 12.977 12.452 -1.813 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 17 +ATOM 25592 C CE . MET A 1 4 ? 13.082 11.257 -3.155 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 17 +ATOM 25593 H H . MET A 1 4 ? 10.586 16.518 -2.981 1.00 0.00 ? ? ? ? ? ? 1 MET A H 17 +ATOM 25594 H HA . MET A 1 4 ? 10.236 15.130 -4.948 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 17 +ATOM 25595 H HB2 . MET A 1 4 ? 11.685 13.275 -4.299 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 17 +ATOM 25596 H HB3 . MET A 1 4 ? 12.244 14.744 -3.516 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 17 +ATOM 25597 H HG2 . MET A 1 4 ? 11.220 14.014 -1.420 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 17 +ATOM 25598 H HG3 . MET A 1 4 ? 10.625 12.557 -2.211 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 17 +ATOM 25599 H HE1 . MET A 1 4 ? 12.217 10.610 -3.135 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 17 +ATOM 25600 H HE2 . MET A 1 4 ? 13.978 10.664 -3.040 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 17 +ATOM 25601 H HE3 . MET A 1 4 ? 13.121 11.775 -4.102 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 17 +ATOM 25602 N N . ALA A 1 5 ? 8.875 12.994 -4.980 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 17 +ATOM 25603 C CA . ALA A 1 5 ? 7.812 12.046 -5.100 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 17 +ATOM 25604 C C . ALA A 1 5 ? 8.374 10.750 -5.610 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 17 +ATOM 25605 O O . ALA A 1 5 ? 9.410 10.733 -6.286 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 17 +ATOM 25606 C CB . ALA A 1 5 ? 6.731 12.568 -6.039 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 17 +ATOM 25607 H H . ALA A 1 5 ? 9.540 13.016 -5.704 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 17 +ATOM 25608 H HA . ALA A 1 5 ? 7.378 11.894 -4.122 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 17 +ATOM 25609 H HB1 . ALA A 1 5 ? 5.933 11.844 -6.105 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 17 +ATOM 25610 H HB2 . ALA A 1 5 ? 7.153 12.726 -7.020 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 17 +ATOM 25611 H HB3 . ALA A 1 5 ? 6.341 13.500 -5.657 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 17 +ATOM 25612 N N . TYR A 1 6 ? 7.728 9.686 -5.271 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 17 +ATOM 25613 C CA . TYR A 1 6 ? 8.128 8.364 -5.685 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 17 +ATOM 25614 C C . TYR A 1 6 ? 7.135 7.858 -6.700 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 17 +ATOM 25615 O O . TYR A 1 6 ? 6.063 8.458 -6.883 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 17 +ATOM 25616 C CB . TYR A 1 6 ? 8.137 7.397 -4.485 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 17 +ATOM 25617 C CG . TYR A 1 6 ? 9.214 7.623 -3.436 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 17 +ATOM 25618 C CD1 . TYR A 1 6 ? 9.440 8.873 -2.876 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 17 +ATOM 25619 C CD2 . TYR A 1 6 ? 9.998 6.565 -3.000 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 17 +ATOM 25620 C CE1 . TYR A 1 6 ? 10.407 9.062 -1.921 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 17 +ATOM 25621 C CE2 . TYR A 1 6 ? 10.962 6.744 -2.035 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 17 +ATOM 25622 C CZ . TYR A 1 6 ? 11.162 7.994 -1.500 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 17 +ATOM 25623 O OH . TYR A 1 6 ? 12.103 8.175 -0.523 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 17 +ATOM 25624 H H . TYR A 1 6 ? 6.920 9.779 -4.727 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 17 +ATOM 25625 H HA . TYR A 1 6 ? 9.119 8.406 -6.113 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 17 +ATOM 25626 H HB2 . TYR A 1 6 ? 7.187 7.469 -3.977 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 17 +ATOM 25627 H HB3 . TYR A 1 6 ? 8.249 6.393 -4.866 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 17 +ATOM 25628 H HD1 . TYR A 1 6 ? 8.845 9.712 -3.208 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 17 +ATOM 25629 H HD2 . TYR A 1 6 ? 9.838 5.583 -3.422 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 17 +ATOM 25630 H HE1 . TYR A 1 6 ? 10.567 10.043 -1.499 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 17 +ATOM 25631 H HE2 . TYR A 1 6 ? 11.562 5.908 -1.708 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 17 +ATOM 25632 H HH . TYR A 1 6 ? 12.855 7.578 -0.693 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 17 +ATOM 25633 N N . PHE A 1 7 ? 7.474 6.790 -7.362 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 17 +ATOM 25634 C CA . PHE A 1 7 ? 6.554 6.142 -8.264 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 17 +ATOM 25635 C C . PHE A 1 7 ? 5.555 5.356 -7.434 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 17 +ATOM 25636 O O . PHE A 1 7 ? 5.873 4.938 -6.337 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 17 +ATOM 25637 C CB . PHE A 1 7 ? 7.286 5.193 -9.224 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 17 +ATOM 25638 C CG . PHE A 1 7 ? 8.227 5.846 -10.195 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 17 +ATOM 25639 C CD1 . PHE A 1 7 ? 9.554 6.055 -9.872 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 17 +ATOM 25640 C CD2 . PHE A 1 7 ? 7.786 6.225 -11.446 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 17 +ATOM 25641 C CE1 . PHE A 1 7 ? 10.418 6.632 -10.776 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 17 +ATOM 25642 C CE2 . PHE A 1 7 ? 8.643 6.804 -12.349 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 17 +ATOM 25643 C CZ . PHE A 1 7 ? 9.961 7.008 -12.016 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 17 +ATOM 25644 H H . PHE A 1 7 ? 8.378 6.419 -7.232 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 17 +ATOM 25645 H HA . PHE A 1 7 ? 6.036 6.903 -8.823 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 17 +ATOM 25646 H HB2 . PHE A 1 7 ? 7.874 4.502 -8.640 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 17 +ATOM 25647 H HB3 . PHE A 1 7 ? 6.553 4.634 -9.788 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 17 +ATOM 25648 H HD1 . PHE A 1 7 ? 9.908 5.762 -8.895 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 17 +ATOM 25649 H HD2 . PHE A 1 7 ? 6.753 6.069 -11.716 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 17 +ATOM 25650 H HE1 . PHE A 1 7 ? 11.453 6.791 -10.512 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 17 +ATOM 25651 H HE2 . PHE A 1 7 ? 8.275 7.094 -13.321 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 17 +ATOM 25652 H HZ . PHE A 1 7 ? 10.633 7.459 -12.729 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 17 +ATOM 25653 N N . LEU A 1 8 ? 4.370 5.174 -7.929 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 17 +ATOM 25654 C CA . LEU A 1 8 ? 3.370 4.410 -7.207 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 17 +ATOM 25655 C C . LEU A 1 8 ? 2.885 3.321 -8.152 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 17 +ATOM 25656 O O . LEU A 1 8 ? 2.444 3.616 -9.275 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 17 +ATOM 25657 C CB . LEU A 1 8 ? 2.198 5.342 -6.750 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 17 +ATOM 25658 C CG . LEU A 1 8 ? 1.236 4.851 -5.606 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 17 +ATOM 25659 C CD1 . LEU A 1 8 ? 0.495 3.578 -5.949 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 17 +ATOM 25660 C CD2 . LEU A 1 8 ? 1.976 4.680 -4.297 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 17 +ATOM 25661 H H . LEU A 1 8 ? 4.154 5.527 -8.817 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 17 +ATOM 25662 H HA . LEU A 1 8 ? 3.843 3.954 -6.349 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 17 +ATOM 25663 H HB2 . LEU A 1 8 ? 2.630 6.279 -6.430 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 17 +ATOM 25664 H HB3 . LEU A 1 8 ? 1.597 5.542 -7.624 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 17 +ATOM 25665 H HG . LEU A 1 8 ? 0.476 5.607 -5.448 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 17 +ATOM 25666 H HD11 . LEU A 1 8 ? -0.102 3.281 -5.098 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 17 +ATOM 25667 H HD12 . LEU A 1 8 ? 1.208 2.799 -6.172 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 17 +ATOM 25668 H HD13 . LEU A 1 8 ? -0.146 3.746 -6.800 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 17 +ATOM 25669 H HD21 . LEU A 1 8 ? 2.388 5.625 -3.980 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 17 +ATOM 25670 H HD22 . LEU A 1 8 ? 2.768 3.958 -4.426 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 17 +ATOM 25671 H HD23 . LEU A 1 8 ? 1.287 4.321 -3.547 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 17 +ATOM 25672 N N . ASP A 1 9 ? 3.012 2.089 -7.749 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 17 +ATOM 25673 C CA . ASP A 1 9 ? 2.578 0.976 -8.572 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 17 +ATOM 25674 C C . ASP A 1 9 ? 1.769 0.016 -7.738 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 17 +ATOM 25675 O O . ASP A 1 9 ? 1.899 -0.010 -6.514 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 17 +ATOM 25676 C CB . ASP A 1 9 ? 3.775 0.250 -9.203 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 17 +ATOM 25677 C CG . ASP A 1 9 ? 3.356 -0.797 -10.220 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 17 +ATOM 25678 O OD1 . ASP A 1 9 ? 2.493 -0.488 -11.090 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 17 +ATOM 25679 O OD2 . ASP A 1 9 ? 3.859 -1.926 -10.173 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 17 +ATOM 25680 H H . ASP A 1 9 ? 3.402 1.894 -6.864 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 17 +ATOM 25681 H HA . ASP A 1 9 ? 1.951 1.372 -9.357 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 17 +ATOM 25682 H HB2 . ASP A 1 9 ? 4.442 0.954 -9.675 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 17 +ATOM 25683 H HB3 . ASP A 1 9 ? 4.305 -0.256 -8.410 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 17 +ATOM 25684 N N . PHE A 1 10 ? 0.946 -0.754 -8.379 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 17 +ATOM 25685 C CA . PHE A 1 10 ? 0.098 -1.705 -7.710 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 17 +ATOM 25686 C C . PHE A 1 10 ? 0.336 -3.074 -8.293 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 17 +ATOM 25687 O O . PHE A 1 10 ? 0.534 -3.207 -9.511 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 17 +ATOM 25688 C CB . PHE A 1 10 ? -1.388 -1.379 -7.929 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 17 +ATOM 25689 C CG . PHE A 1 10 ? -1.890 -0.057 -7.418 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 17 +ATOM 25690 C CD1 . PHE A 1 10 ? -2.411 0.054 -6.143 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 17 +ATOM 25691 C CD2 . PHE A 1 10 ? -1.883 1.064 -8.235 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 17 +ATOM 25692 C CE1 . PHE A 1 10 ? -2.915 1.255 -5.687 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 17 +ATOM 25693 C CE2 . PHE A 1 10 ? -2.379 2.269 -7.785 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 17 +ATOM 25694 C CZ . PHE A 1 10 ? -2.898 2.366 -6.508 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 17 +ATOM 25695 H H . PHE A 1 10 ? 0.941 -0.718 -9.360 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 17 +ATOM 25696 H HA . PHE A 1 10 ? 0.307 -1.700 -6.651 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 17 +ATOM 25697 H HB2 . PHE A 1 10 ? -1.569 -1.377 -8.993 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 17 +ATOM 25698 H HB3 . PHE A 1 10 ? -1.982 -2.163 -7.481 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 17 +ATOM 25699 H HD1 . PHE A 1 10 ? -2.421 -0.812 -5.497 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 17 +ATOM 25700 H HD2 . PHE A 1 10 ? -1.478 0.988 -9.233 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 17 +ATOM 25701 H HE1 . PHE A 1 10 ? -3.321 1.326 -4.689 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 17 +ATOM 25702 H HE2 . PHE A 1 10 ? -2.363 3.136 -8.429 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 17 +ATOM 25703 H HZ . PHE A 1 10 ? -3.293 3.305 -6.152 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 17 +ATOM 25704 N N . ASP A 1 11 ? 0.344 -4.077 -7.456 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 17 +ATOM 25705 C CA . ASP A 1 11 ? 0.377 -5.444 -7.929 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 17 +ATOM 25706 C C . ASP A 1 11 ? -0.977 -5.777 -8.530 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 17 +ATOM 25707 O O . ASP A 1 11 ? -1.975 -5.131 -8.182 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 17 +ATOM 25708 C CB . ASP A 1 11 ? 0.712 -6.438 -6.815 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 17 +ATOM 25709 C CG . ASP A 1 11 ? 0.712 -7.859 -7.333 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 17 +ATOM 25710 O OD1 . ASP A 1 11 ? 1.706 -8.266 -7.990 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 17 +ATOM 25711 O OD2 . ASP A 1 11 ? -0.290 -8.567 -7.150 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 17 +ATOM 25712 H H . ASP A 1 11 ? 0.349 -3.902 -6.487 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 17 +ATOM 25713 H HA . ASP A 1 11 ? 1.120 -5.507 -8.709 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 17 +ATOM 25714 H HB2 . ASP A 1 11 ? 1.690 -6.213 -6.415 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 17 +ATOM 25715 H HB3 . ASP A 1 11 ? -0.024 -6.359 -6.027 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 17 +ATOM 25716 N N . GLU A 1 12 ? -1.020 -6.743 -9.431 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 17 +ATOM 25717 C CA . GLU A 1 12 ? -2.252 -7.143 -10.059 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 17 +ATOM 25718 C C . GLU A 1 12 ? -3.343 -7.491 -9.033 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 17 +ATOM 25719 O O . GLU A 1 12 ? -4.490 -7.113 -9.238 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 17 +ATOM 25720 C CB . GLU A 1 12 ? -2.056 -8.313 -11.016 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 17 +ATOM 25721 C CG . GLU A 1 12 ? -1.424 -9.530 -10.385 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 17 +ATOM 25722 C CD . GLU A 1 12 ? -1.826 -10.788 -11.081 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 17 +ATOM 25723 O OE1 . GLU A 1 12 ? -1.173 -11.198 -12.054 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 17 +ATOM 25724 O OE2 . GLU A 1 12 ? -2.852 -11.382 -10.673 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 17 +ATOM 25725 H H . GLU A 1 12 ? -0.188 -7.201 -9.675 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 17 +ATOM 25726 H HA . GLU A 1 12 ? -2.599 -6.293 -10.632 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 17 +ATOM 25727 H HB2 . GLU A 1 12 ? -3.019 -8.602 -11.409 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 17 +ATOM 25728 H HB3 . GLU A 1 12 ? -1.426 -7.990 -11.832 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 17 +ATOM 25729 H HG2 . GLU A 1 12 ? -0.350 -9.430 -10.446 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 17 +ATOM 25730 H HG3 . GLU A 1 12 ? -1.728 -9.587 -9.350 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 17 +ATOM 25731 N N . ARG A 1 13 ? -2.995 -8.161 -7.897 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 17 +ATOM 25732 C CA . ARG A 1 13 ? -4.041 -8.486 -6.916 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 17 +ATOM 25733 C C . ARG A 1 13 ? -4.559 -7.216 -6.298 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 17 +ATOM 25734 O O . ARG A 1 13 ? -5.752 -7.050 -6.137 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 17 +ATOM 25735 C CB . ARG A 1 13 ? -3.627 -9.483 -5.793 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 17 +ATOM 25736 C CG . ARG A 1 13 ? -2.561 -8.989 -4.811 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 17 +ATOM 25737 C CD . ARG A 1 13 ? -2.553 -9.821 -3.523 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 17 +ATOM 25738 N NE . ARG A 1 13 ? -3.789 -9.628 -2.709 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 17 +ATOM 25739 C CZ . ARG A 1 13 ? -4.219 -10.439 -1.716 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 17 +ATOM 25740 N NH1 . ARG A 1 13 ? -3.553 -11.536 -1.394 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 17 +ATOM 25741 N NH2 . ARG A 1 13 ? -5.332 -10.143 -1.053 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 17 +ATOM 25742 H H . ARG A 1 13 ? -2.050 -8.402 -7.733 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 17 +ATOM 25743 H HA . ARG A 1 13 ? -4.858 -8.906 -7.485 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 17 +ATOM 25744 H HB2 . ARG A 1 13 ? -4.505 -9.727 -5.214 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 17 +ATOM 25745 H HB3 . ARG A 1 13 ? -3.263 -10.388 -6.256 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 17 +ATOM 25746 H HG2 . ARG A 1 13 ? -1.591 -9.063 -5.280 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 17 +ATOM 25747 H HG3 . ARG A 1 13 ? -2.765 -7.958 -4.564 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 17 +ATOM 25748 H HD2 . ARG A 1 13 ? -2.464 -10.867 -3.781 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 17 +ATOM 25749 H HD3 . ARG A 1 13 ? -1.701 -9.527 -2.930 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 17 +ATOM 25750 H HE . ARG A 1 13 ? -4.322 -8.812 -2.912 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 17 +ATOM 25751 H HH11 . ARG A 1 13 ? -2.702 -11.827 -1.860 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 17 +ATOM 25752 H HH12 . ARG A 1 13 ? -3.862 -12.145 -0.665 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 17 +ATOM 25753 H HH21 . ARG A 1 13 ? -5.873 -9.314 -1.278 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 17 +ATOM 25754 H HH22 . ARG A 1 13 ? -5.703 -10.711 -0.307 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 17 +ATOM 25755 N N . ALA A 1 14 ? -3.645 -6.287 -6.051 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 17 +ATOM 25756 C CA . ALA A 1 14 ? -3.966 -5.027 -5.439 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 17 +ATOM 25757 C C . ALA A 1 14 ? -4.879 -4.225 -6.342 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 17 +ATOM 25758 O O . ALA A 1 14 ? -5.785 -3.593 -5.876 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 17 +ATOM 25759 C CB . ALA A 1 14 ? -2.700 -4.249 -5.104 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 17 +ATOM 25760 H H . ALA A 1 14 ? -2.718 -6.462 -6.315 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 17 +ATOM 25761 H HA . ALA A 1 14 ? -4.490 -5.241 -4.518 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 17 +ATOM 25762 H HB1 . ALA A 1 14 ? -2.077 -4.843 -4.449 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 17 +ATOM 25763 H HB2 . ALA A 1 14 ? -2.963 -3.325 -4.611 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 17 +ATOM 25764 H HB3 . ALA A 1 14 ? -2.161 -4.034 -6.015 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 17 +ATOM 25765 N N . LEU A 1 15 ? -4.653 -4.303 -7.647 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 17 +ATOM 25766 C CA . LEU A 1 15 ? -5.498 -3.625 -8.607 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 17 +ATOM 25767 C C . LEU A 1 15 ? -6.878 -4.236 -8.634 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 17 +ATOM 25768 O O . LEU A 1 15 ? -7.872 -3.528 -8.633 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 17 +ATOM 25769 C CB . LEU A 1 15 ? -4.876 -3.638 -10.000 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 17 +ATOM 25770 C CG . LEU A 1 15 ? -3.755 -2.635 -10.240 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 17 +ATOM 25771 C CD1 . LEU A 1 15 ? -3.104 -2.881 -11.591 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 17 +ATOM 25772 C CD2 . LEU A 1 15 ? -4.308 -1.207 -10.177 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 17 +ATOM 25773 H H . LEU A 1 15 ? -3.897 -4.839 -7.973 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 17 +ATOM 25774 H HA . LEU A 1 15 ? -5.593 -2.600 -8.278 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 17 +ATOM 25775 H HB2 . LEU A 1 15 ? -4.483 -4.628 -10.176 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 17 +ATOM 25776 H HB3 . LEU A 1 15 ? -5.660 -3.452 -10.715 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 17 +ATOM 25777 H HG . LEU A 1 15 ? -3.009 -2.742 -9.467 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 17 +ATOM 25778 H HD11 . LEU A 1 15 ? -2.693 -3.880 -11.614 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 17 +ATOM 25779 H HD12 . LEU A 1 15 ? -2.313 -2.163 -11.747 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 17 +ATOM 25780 H HD13 . LEU A 1 15 ? -3.843 -2.779 -12.371 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 17 +ATOM 25781 H HD21 . LEU A 1 15 ? -5.073 -1.083 -10.929 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 17 +ATOM 25782 H HD22 . LEU A 1 15 ? -3.512 -0.502 -10.368 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 17 +ATOM 25783 H HD23 . LEU A 1 15 ? -4.732 -1.005 -9.204 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 17 +ATOM 25784 N N . LYS A 1 16 ? -6.929 -5.543 -8.612 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 17 +ATOM 25785 C CA . LYS A 1 16 ? -8.183 -6.272 -8.625 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 17 +ATOM 25786 C C . LYS A 1 16 ? -8.998 -5.964 -7.365 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 17 +ATOM 25787 O O . LYS A 1 16 ? -10.216 -5.732 -7.437 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 17 +ATOM 25788 C CB . LYS A 1 16 ? -7.898 -7.770 -8.795 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 17 +ATOM 25789 C CG . LYS A 1 16 ? -7.270 -8.073 -10.152 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 17 +ATOM 25790 C CD . LYS A 1 16 ? -6.602 -9.437 -10.215 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 17 +ATOM 25791 C CE . LYS A 1 16 ? -5.979 -9.647 -11.593 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 17 +ATOM 25792 N NZ . LYS A 1 16 ? -5.261 -10.929 -11.720 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 17 +ATOM 25793 H H . LYS A 1 16 ? -6.082 -6.043 -8.579 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 17 +ATOM 25794 H HA . LYS A 1 16 ? -8.744 -5.922 -9.478 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 17 +ATOM 25795 H HB2 . LYS A 1 16 ? -7.220 -8.088 -8.017 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 17 +ATOM 25796 H HB3 . LYS A 1 16 ? -8.822 -8.323 -8.715 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 17 +ATOM 25797 H HG2 . LYS A 1 16 ? -8.044 -8.046 -10.902 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 17 +ATOM 25798 H HG3 . LYS A 1 16 ? -6.537 -7.310 -10.369 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 17 +ATOM 25799 H HD2 . LYS A 1 16 ? -5.820 -9.449 -9.469 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 17 +ATOM 25800 H HD3 . LYS A 1 16 ? -7.325 -10.212 -10.015 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 17 +ATOM 25801 H HE2 . LYS A 1 16 ? -6.763 -9.620 -12.335 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 17 +ATOM 25802 H HE3 . LYS A 1 16 ? -5.290 -8.837 -11.784 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 17 +ATOM 25803 H HZ1 . LYS A 1 16 ? -4.935 -11.037 -12.703 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 17 +ATOM 25804 H HZ2 . LYS A 1 16 ? -5.865 -11.743 -11.503 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 17 +ATOM 25805 H HZ3 . LYS A 1 16 ? -4.405 -10.982 -11.123 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 17 +ATOM 25806 N N . GLU A 1 17 ? -8.317 -5.915 -6.231 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 17 +ATOM 25807 C CA . GLU A 1 17 ? -8.937 -5.562 -4.967 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 17 +ATOM 25808 C C . GLU A 1 17 ? -9.334 -4.080 -4.949 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 17 +ATOM 25809 O O . GLU A 1 17 ? -10.397 -3.733 -4.482 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 17 +ATOM 25810 C CB . GLU A 1 17 ? -8.013 -5.911 -3.797 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 17 +ATOM 25811 C CG . GLU A 1 17 ? -7.662 -7.388 -3.749 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 17 +ATOM 25812 C CD . GLU A 1 17 ? -6.740 -7.765 -2.624 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 17 +ATOM 25813 O OE1 . GLU A 1 17 ? -5.511 -7.570 -2.738 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 17 +ATOM 25814 O OE2 . GLU A 1 17 ? -7.223 -8.328 -1.610 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 17 +ATOM 25815 H H . GLU A 1 17 ? -7.360 -6.148 -6.235 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 17 +ATOM 25816 H HA . GLU A 1 17 ? -9.841 -6.148 -4.886 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 17 +ATOM 25817 H HB2 . GLU A 1 17 ? -7.099 -5.344 -3.893 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 17 +ATOM 25818 H HB3 . GLU A 1 17 ? -8.497 -5.647 -2.868 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 17 +ATOM 25819 H HG2 . GLU A 1 17 ? -8.576 -7.952 -3.638 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 17 +ATOM 25820 H HG3 . GLU A 1 17 ? -7.196 -7.656 -4.686 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 17 +ATOM 25821 N N . TRP A 1 18 ? -8.486 -3.236 -5.504 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 17 +ATOM 25822 C CA . TRP A 1 18 ? -8.714 -1.783 -5.610 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 17 +ATOM 25823 C C . TRP A 1 18 ? -9.981 -1.498 -6.438 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 17 +ATOM 25824 O O . TRP A 1 18 ? -10.792 -0.623 -6.100 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 17 +ATOM 25825 C CB . TRP A 1 18 ? -7.475 -1.154 -6.281 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 17 +ATOM 25826 C CG . TRP A 1 18 ? -7.470 0.330 -6.432 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 17 +ATOM 25827 C CD1 . TRP A 1 18 ? -7.843 1.045 -7.532 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 17 +ATOM 25828 C CD2 . TRP A 1 18 ? -7.022 1.278 -5.467 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 17 +ATOM 25829 N NE1 . TRP A 1 18 ? -7.679 2.387 -7.296 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 17 +ATOM 25830 C CE2 . TRP A 1 18 ? -7.173 2.555 -6.035 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 17 +ATOM 25831 C CE3 . TRP A 1 18 ? -6.518 1.171 -4.168 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 17 +ATOM 25832 C CZ2 . TRP A 1 18 ? -6.832 3.712 -5.355 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 17 +ATOM 25833 C CZ3 . TRP A 1 18 ? -6.178 2.321 -3.495 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 17 +ATOM 25834 C CH2 . TRP A 1 18 ? -6.337 3.575 -4.088 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 17 +ATOM 25835 H H . TRP A 1 18 ? -7.631 -3.587 -5.844 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 17 +ATOM 25836 H HA . TRP A 1 18 ? -8.828 -1.372 -4.618 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 17 +ATOM 25837 H HB2 . TRP A 1 18 ? -6.604 -1.409 -5.697 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 17 +ATOM 25838 H HB3 . TRP A 1 18 ? -7.365 -1.590 -7.263 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 17 +ATOM 25839 H HD1 . TRP A 1 18 ? -8.218 0.597 -8.441 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 17 +ATOM 25840 H HE1 . TRP A 1 18 ? -7.890 3.103 -7.934 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 17 +ATOM 25841 H HE3 . TRP A 1 18 ? -6.390 0.207 -3.698 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 17 +ATOM 25842 H HZ2 . TRP A 1 18 ? -6.951 4.687 -5.803 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 17 +ATOM 25843 H HZ3 . TRP A 1 18 ? -5.783 2.262 -2.491 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 17 +ATOM 25844 H HH2 . TRP A 1 18 ? -6.058 4.452 -3.522 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 17 +ATOM 25845 N N . ARG A 1 19 ? -10.145 -2.248 -7.507 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 17 +ATOM 25846 C CA . ARG A 1 19 ? -11.305 -2.123 -8.376 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 17 +ATOM 25847 C C . ARG A 1 19 ? -12.539 -2.709 -7.702 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 17 +ATOM 25848 O O . ARG A 1 19 ? -13.663 -2.229 -7.919 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 17 +ATOM 25849 C CB . ARG A 1 19 ? -11.034 -2.799 -9.713 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 17 +ATOM 25850 C CG . ARG A 1 19 ? -9.876 -2.171 -10.460 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 17 +ATOM 25851 C CD . ARG A 1 19 ? -9.466 -3.000 -11.646 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 17 +ATOM 25852 N NE . ARG A 1 19 ? -8.218 -2.516 -12.238 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 17 +ATOM 25853 C CZ . ARG A 1 19 ? -7.314 -3.291 -12.847 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 17 +ATOM 25854 N NH1 . ARG A 1 19 ? -7.523 -4.604 -12.949 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 17 +ATOM 25855 N NH2 . ARG A 1 19 ? -6.195 -2.757 -13.338 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 17 +ATOM 25856 H H . ARG A 1 19 ? -9.435 -2.895 -7.726 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 17 +ATOM 25857 H HA . ARG A 1 19 ? -11.477 -1.070 -8.540 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 17 +ATOM 25858 H HB2 . ARG A 1 19 ? -10.806 -3.839 -9.535 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 17 +ATOM 25859 H HB3 . ARG A 1 19 ? -11.915 -2.735 -10.333 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 17 +ATOM 25860 H HG2 . ARG A 1 19 ? -10.176 -1.191 -10.803 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 17 +ATOM 25861 H HG3 . ARG A 1 19 ? -9.038 -2.077 -9.786 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 17 +ATOM 25862 H HD2 . ARG A 1 19 ? -9.318 -4.014 -11.306 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 17 +ATOM 25863 H HD3 . ARG A 1 19 ? -10.246 -2.972 -12.393 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 17 +ATOM 25864 H HE . ARG A 1 19 ? -8.077 -1.545 -12.141 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 17 +ATOM 25865 H HH11 . ARG A 1 19 ? -8.347 -5.047 -12.581 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 17 +ATOM 25866 H HH12 . ARG A 1 19 ? -6.867 -5.218 -13.394 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 17 +ATOM 25867 H HH21 . ARG A 1 19 ? -5.995 -1.775 -13.270 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 17 +ATOM 25868 H HH22 . ARG A 1 19 ? -5.500 -3.326 -13.790 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 17 +ATOM 25869 N N . LYS A 1 20 ? -12.316 -3.722 -6.876 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 17 +ATOM 25870 C CA . LYS A 1 20 ? -13.365 -4.359 -6.085 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 17 +ATOM 25871 C C . LYS A 1 20 ? -13.893 -3.380 -5.043 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 17 +ATOM 25872 O O . LYS A 1 20 ? -15.100 -3.272 -4.826 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 17 +ATOM 25873 C CB . LYS A 1 20 ? -12.791 -5.578 -5.362 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 17 +ATOM 25874 C CG . LYS A 1 20 ? -13.769 -6.279 -4.434 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 17 +ATOM 25875 C CD . LYS A 1 20 ? -13.073 -7.302 -3.548 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 17 +ATOM 25876 C CE . LYS A 1 20 ? -12.411 -8.398 -4.353 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 17 +ATOM 25877 N NZ . LYS A 1 20 ? -11.787 -9.409 -3.486 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 17 +ATOM 25878 H H . LYS A 1 20 ? -11.400 -4.068 -6.793 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 17 +ATOM 25879 H HA . LYS A 1 20 ? -14.161 -4.679 -6.739 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 17 +ATOM 25880 H HB2 . LYS A 1 20 ? -12.451 -6.287 -6.102 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 17 +ATOM 25881 H HB3 . LYS A 1 20 ? -11.941 -5.255 -4.778 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 17 +ATOM 25882 H HG2 . LYS A 1 20 ? -14.238 -5.538 -3.805 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 17 +ATOM 25883 H HG3 . LYS A 1 20 ? -14.521 -6.776 -5.029 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 17 +ATOM 25884 H HD2 . LYS A 1 20 ? -12.317 -6.797 -2.965 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 17 +ATOM 25885 H HD3 . LYS A 1 20 ? -13.804 -7.736 -2.883 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 17 +ATOM 25886 H HE2 . LYS A 1 20 ? -13.164 -8.878 -4.960 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 17 +ATOM 25887 H HE3 . LYS A 1 20 ? -11.656 -7.961 -4.989 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 17 +ATOM 25888 H HZ1 . LYS A 1 20 ? -11.064 -9.002 -2.861 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 17 +ATOM 25889 H HZ2 . LYS A 1 20 ? -11.313 -10.130 -4.068 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 17 +ATOM 25890 H HZ3 . LYS A 1 20 ? -12.501 -9.892 -2.906 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 17 +ATOM 25891 N N . LEU A 1 21 ? -12.959 -2.693 -4.408 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 17 +ATOM 25892 C CA . LEU A 1 21 ? -13.223 -1.722 -3.361 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 17 +ATOM 25893 C C . LEU A 1 21 ? -14.223 -0.659 -3.763 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 17 +ATOM 25894 O O . LEU A 1 21 ? -14.390 -0.325 -4.960 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 17 +ATOM 25895 C CB . LEU A 1 21 ? -11.924 -1.044 -2.908 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 17 +ATOM 25896 C CG . LEU A 1 21 ? -11.353 -1.459 -1.546 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 17 +ATOM 25897 C CD1 . LEU A 1 21 ? -11.058 -2.948 -1.474 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 17 +ATOM 25898 C CD2 . LEU A 1 21 ? -10.108 -0.656 -1.241 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 17 +ATOM 25899 H H . LEU A 1 21 ? -12.021 -2.865 -4.645 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 17 +ATOM 25900 H HA . LEU A 1 21 ? -13.610 -2.272 -2.518 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 17 +ATOM 25901 H HB2 . LEU A 1 21 ? -11.171 -1.241 -3.657 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 17 +ATOM 25902 H HB3 . LEU A 1 21 ? -12.100 0.022 -2.886 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 17 +ATOM 25903 H HG . LEU A 1 21 ? -12.082 -1.227 -0.786 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 17 +ATOM 25904 H HD11 . LEU A 1 21 ? -11.970 -3.502 -1.640 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 17 +ATOM 25905 H HD12 . LEU A 1 21 ? -10.665 -3.189 -0.497 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 17 +ATOM 25906 H HD13 . LEU A 1 21 ? -10.334 -3.211 -2.232 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 17 +ATOM 25907 H HD21 . LEU A 1 21 ? -10.367 0.392 -1.217 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 17 +ATOM 25908 H HD22 . LEU A 1 21 ? -9.364 -0.830 -2.005 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 17 +ATOM 25909 H HD23 . LEU A 1 21 ? -9.718 -0.950 -0.279 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 17 +ATOM 25910 N N . GLY A 1 22 ? -14.887 -0.140 -2.760 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 17 +ATOM 25911 C CA . GLY A 1 22 ? -15.809 0.923 -2.939 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 17 +ATOM 25912 C C . GLY A 1 22 ? -15.075 2.151 -3.370 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 17 +ATOM 25913 O O . GLY A 1 22 ? -13.958 2.414 -2.889 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 17 +ATOM 25914 H H . GLY A 1 22 ? -14.722 -0.507 -1.864 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 17 +ATOM 25915 H HA2 . GLY A 1 22 ? -16.538 0.649 -3.689 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 17 +ATOM 25916 H HA3 . GLY A 1 22 ? -16.311 1.125 -2.006 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 17 +ATOM 25917 N N . SER A 1 23 ? -15.676 2.892 -4.250 1.00 0.00 ? ? ? ? ? ? 20 SER A N 17 +ATOM 25918 C CA . SER A 1 23 ? -15.090 4.057 -4.849 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 17 +ATOM 25919 C C . SER A 1 23 ? -14.586 5.078 -3.815 1.00 0.00 ? ? ? ? ? ? 20 SER A C 17 +ATOM 25920 O O . SER A 1 23 ? -13.450 5.519 -3.886 1.00 0.00 ? ? ? ? ? ? 20 SER A O 17 +ATOM 25921 C CB . SER A 1 23 ? -16.107 4.636 -5.817 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 17 +ATOM 25922 O OG . SER A 1 23 ? -17.429 4.451 -5.303 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 17 +ATOM 25923 H H . SER A 1 23 ? -16.593 2.685 -4.523 1.00 0.00 ? ? ? ? ? ? 20 SER A H 17 +ATOM 25924 H HA . SER A 1 23 ? -14.241 3.722 -5.427 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 17 +ATOM 25925 H HB2 . SER A 1 23 ? -15.926 5.692 -5.940 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 17 +ATOM 25926 H HB3 . SER A 1 23 ? -16.033 4.137 -6.772 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 17 +ATOM 25927 H HG . SER A 1 23 ? -17.842 5.325 -5.247 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 17 +ATOM 25928 N N . THR A 1 24 ? -15.393 5.359 -2.825 1.00 0.00 ? ? ? ? ? ? 21 THR A N 17 +ATOM 25929 C CA . THR A 1 24 ? -15.054 6.319 -1.790 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 17 +ATOM 25930 C C . THR A 1 24 ? -13.913 5.792 -0.907 1.00 0.00 ? ? ? ? ? ? 21 THR A C 17 +ATOM 25931 O O . THR A 1 24 ? -13.007 6.547 -0.512 1.00 0.00 ? ? ? ? ? ? 21 THR A O 17 +ATOM 25932 C CB . THR A 1 24 ? -16.298 6.629 -0.940 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 17 +ATOM 25933 O OG1 . THR A 1 24 ? -17.347 7.088 -1.817 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 17 +ATOM 25934 C CG2 . THR A 1 24 ? -16.009 7.697 0.105 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 17 +ATOM 25935 H H . THR A 1 24 ? -16.252 4.891 -2.781 1.00 0.00 ? ? ? ? ? ? 21 THR A H 17 +ATOM 25936 H HA . THR A 1 24 ? -14.729 7.228 -2.274 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 17 +ATOM 25937 H HB . THR A 1 24 ? -16.601 5.713 -0.453 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 17 +ATOM 25938 H HG1 . THR A 1 24 ? -18.191 6.869 -1.401 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 17 +ATOM 25939 H HG21 . THR A 1 24 ? -15.231 7.349 0.768 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 17 +ATOM 25940 H HG22 . THR A 1 24 ? -16.904 7.900 0.675 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 17 +ATOM 25941 H HG23 . THR A 1 24 ? -15.682 8.603 -0.384 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 17 +ATOM 25942 N N . VAL A 1 25 ? -13.930 4.487 -0.670 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 17 +ATOM 25943 C CA . VAL A 1 25 ? -12.931 3.842 0.150 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 17 +ATOM 25944 C C . VAL A 1 25 ? -11.582 3.936 -0.539 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 17 +ATOM 25945 O O . VAL A 1 25 ? -10.582 4.363 0.051 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 17 +ATOM 25946 C CB . VAL A 1 25 ? -13.288 2.346 0.353 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 17 +ATOM 25947 C CG1 . VAL A 1 25 ? -12.212 1.625 1.136 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 17 +ATOM 25948 C CG2 . VAL A 1 25 ? -14.636 2.196 1.043 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 17 +ATOM 25949 H H . VAL A 1 25 ? -14.627 3.932 -1.076 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 17 +ATOM 25950 H HA . VAL A 1 25 ? -12.892 4.328 1.114 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 17 +ATOM 25951 H HB . VAL A 1 25 ? -13.361 1.894 -0.625 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 17 +ATOM 25952 H HG11 . VAL A 1 25 ? -11.274 1.695 0.606 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 17 +ATOM 25953 H HG12 . VAL A 1 25 ? -12.485 0.587 1.255 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 17 +ATOM 25954 H HG13 . VAL A 1 25 ? -12.111 2.084 2.109 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 17 +ATOM 25955 H HG21 . VAL A 1 25 ? -14.600 2.670 2.012 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 17 +ATOM 25956 H HG22 . VAL A 1 25 ? -14.864 1.148 1.164 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 17 +ATOM 25957 H HG23 . VAL A 1 25 ? -15.400 2.665 0.440 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 17 +ATOM 25958 N N . ARG A 1 26 ? -11.574 3.600 -1.807 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 17 +ATOM 25959 C CA . ARG A 1 26 ? -10.368 3.651 -2.573 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 17 +ATOM 25960 C C . ARG A 1 26 ? -9.887 5.080 -2.804 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 17 +ATOM 25961 O O . ARG A 1 26 ? -8.701 5.311 -2.839 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 17 +ATOM 25962 C CB . ARG A 1 26 ? -10.425 2.834 -3.851 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 17 +ATOM 25963 C CG . ARG A 1 26 ? -11.528 3.202 -4.806 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 17 +ATOM 25964 C CD . ARG A 1 26 ? -11.251 2.592 -6.150 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 17 +ATOM 25965 N NE . ARG A 1 26 ? -12.296 2.894 -7.138 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 17 +ATOM 25966 C CZ . ARG A 1 26 ? -13.027 1.970 -7.793 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 17 +ATOM 25967 N NH1 . ARG A 1 26 ? -12.888 0.669 -7.504 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 17 +ATOM 25968 N NH2 . ARG A 1 26 ? -13.904 2.356 -8.720 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 17 +ATOM 25969 H H . ARG A 1 26 ? -12.415 3.304 -2.225 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 17 +ATOM 25970 H HA . ARG A 1 26 ? -9.626 3.206 -1.924 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 17 +ATOM 25971 H HB2 . ARG A 1 26 ? -9.484 2.921 -4.373 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 17 +ATOM 25972 H HB3 . ARG A 1 26 ? -10.573 1.801 -3.564 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 17 +ATOM 25973 H HG2 . ARG A 1 26 ? -12.435 2.764 -4.412 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 17 +ATOM 25974 H HG3 . ARG A 1 26 ? -11.661 4.273 -4.874 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 17 +ATOM 25975 H HD2 . ARG A 1 26 ? -10.306 3.014 -6.467 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 17 +ATOM 25976 H HD3 . ARG A 1 26 ? -11.142 1.524 -6.035 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 17 +ATOM 25977 H HE . ARG A 1 26 ? -12.400 3.857 -7.318 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 17 +ATOM 25978 H HH11 . ARG A 1 26 ? -12.236 0.346 -6.806 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 17 +ATOM 25979 H HH12 . ARG A 1 26 ? -13.426 -0.052 -7.948 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 17 +ATOM 25980 H HH21 . ARG A 1 26 ? -14.045 3.322 -8.953 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 17 +ATOM 25981 H HH22 . ARG A 1 26 ? -14.473 1.724 -9.256 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 17 +ATOM 25982 N N . GLU A 1 27 ? -10.816 6.030 -2.972 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 17 +ATOM 25983 C CA . GLU A 1 27 ? -10.450 7.451 -3.090 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 17 +ATOM 25984 C C . GLU A 1 27 ? -9.667 7.901 -1.876 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 17 +ATOM 25985 O O . GLU A 1 27 ? -8.645 8.569 -2.005 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 17 +ATOM 25986 C CB . GLU A 1 27 ? -11.678 8.345 -3.244 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 17 +ATOM 25987 C CG . GLU A 1 27 ? -12.346 8.281 -4.597 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 17 +ATOM 25988 C CD . GLU A 1 27 ? -13.626 9.072 -4.635 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 17 +ATOM 25989 O OE1 . GLU A 1 27 ? -13.577 10.319 -4.636 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 17 +ATOM 25990 O OE2 . GLU A 1 27 ? -14.715 8.459 -4.655 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 17 +ATOM 25991 H H . GLU A 1 27 ? -11.765 5.780 -3.037 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 17 +ATOM 25992 H HA . GLU A 1 27 ? -9.826 7.559 -3.964 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 17 +ATOM 25993 H HB2 . GLU A 1 27 ? -12.407 8.061 -2.499 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 17 +ATOM 25994 H HB3 . GLU A 1 27 ? -11.378 9.367 -3.059 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 17 +ATOM 25995 H HG2 . GLU A 1 27 ? -11.671 8.671 -5.344 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 17 +ATOM 25996 H HG3 . GLU A 1 27 ? -12.570 7.249 -4.818 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 17 +ATOM 25997 N N . GLN A 1 28 ? -10.123 7.496 -0.701 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 17 +ATOM 25998 C CA . GLN A 1 28 ? -9.471 7.872 0.534 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 17 +ATOM 25999 C C . GLN A 1 28 ? -8.094 7.243 0.644 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 17 +ATOM 26000 O O . GLN A 1 28 ? -7.143 7.889 1.086 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 17 +ATOM 26001 C CB . GLN A 1 28 ? -10.353 7.558 1.744 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 17 +ATOM 26002 C CG . GLN A 1 28 ? -10.917 8.808 2.418 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 17 +ATOM 26003 C CD . GLN A 1 28 ? -11.724 9.726 1.490 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 17 +ATOM 26004 O OE1 . GLN A 1 28 ? -11.716 10.947 1.668 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 17 +ATOM 26005 N NE2 . GLN A 1 28 ? -12.451 9.172 0.546 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 17 +ATOM 26006 H H . GLN A 1 28 ? -10.915 6.913 -0.662 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 17 +ATOM 26007 H HA . GLN A 1 28 ? -9.329 8.941 0.481 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 17 +ATOM 26008 H HB2 . GLN A 1 28 ? -11.178 6.937 1.424 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 17 +ATOM 26009 H HB3 . GLN A 1 28 ? -9.765 7.016 2.470 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 17 +ATOM 26010 H HG2 . GLN A 1 28 ? -11.563 8.501 3.228 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 17 +ATOM 26011 H HG3 . GLN A 1 28 ? -10.091 9.371 2.826 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 17 +ATOM 26012 H HE21 . GLN A 1 28 ? -12.469 8.192 0.460 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 17 +ATOM 26013 H HE22 . GLN A 1 28 ? -12.958 9.762 -0.051 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 17 +ATOM 26014 N N . LEU A 1 29 ? -7.982 6.005 0.200 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 17 +ATOM 26015 C CA . LEU A 1 29 ? -6.703 5.313 0.180 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 17 +ATOM 26016 C C . LEU A 1 29 ? -5.763 5.963 -0.828 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 17 +ATOM 26017 O O . LEU A 1 29 ? -4.586 6.160 -0.546 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 17 +ATOM 26018 C CB . LEU A 1 29 ? -6.886 3.835 -0.144 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 17 +ATOM 26019 C CG . LEU A 1 29 ? -7.667 3.002 0.884 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 17 +ATOM 26020 C CD1 . LEU A 1 29 ? -7.794 1.574 0.415 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 17 +ATOM 26021 C CD2 . LEU A 1 29 ? -6.990 3.049 2.250 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 17 +ATOM 26022 H H . LEU A 1 29 ? -8.791 5.540 -0.107 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 17 +ATOM 26023 H HA . LEU A 1 29 ? -6.263 5.408 1.162 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 17 +ATOM 26024 H HB2 . LEU A 1 29 ? -7.406 3.787 -1.090 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 17 +ATOM 26025 H HB3 . LEU A 1 29 ? -5.909 3.396 -0.276 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 17 +ATOM 26026 H HG . LEU A 1 29 ? -8.667 3.398 0.985 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 17 +ATOM 26027 H HD11 . LEU A 1 29 ? -6.809 1.146 0.296 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 17 +ATOM 26028 H HD12 . LEU A 1 29 ? -8.316 1.550 -0.531 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 17 +ATOM 26029 H HD13 . LEU A 1 29 ? -8.349 1.001 1.143 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 17 +ATOM 26030 H HD21 . LEU A 1 29 ? -6.975 4.066 2.616 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 17 +ATOM 26031 H HD22 . LEU A 1 29 ? -5.977 2.686 2.162 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 17 +ATOM 26032 H HD23 . LEU A 1 29 ? -7.532 2.424 2.944 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 17 +ATOM 26033 N N . LYS A 1 30 ? -6.299 6.303 -1.996 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 17 +ATOM 26034 C CA . LYS A 1 30 ? -5.552 6.993 -3.044 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 17 +ATOM 26035 C C . LYS A 1 30 ? -4.977 8.306 -2.518 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 17 +ATOM 26036 O O . LYS A 1 30 ? -3.826 8.646 -2.797 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 17 +ATOM 26037 C CB . LYS A 1 30 ? -6.460 7.298 -4.222 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 17 +ATOM 26038 C CG . LYS A 1 30 ? -5.731 7.945 -5.384 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 17 +ATOM 26039 C CD . LYS A 1 30 ? -6.682 8.460 -6.445 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 17 +ATOM 26040 C CE . LYS A 1 30 ? -7.457 9.671 -5.958 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 17 +ATOM 26041 N NZ . LYS A 1 30 ? -8.351 10.198 -6.995 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 17 +ATOM 26042 H H . LYS A 1 30 ? -7.231 6.040 -2.184 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 17 +ATOM 26043 H HA . LYS A 1 30 ? -4.748 6.354 -3.374 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 17 +ATOM 26044 H HB2 . LYS A 1 30 ? -6.909 6.376 -4.560 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 17 +ATOM 26045 H HB3 . LYS A 1 30 ? -7.238 7.961 -3.880 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 17 +ATOM 26046 H HG2 . LYS A 1 30 ? -5.173 8.778 -4.982 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 17 +ATOM 26047 H HG3 . LYS A 1 30 ? -5.050 7.228 -5.816 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 17 +ATOM 26048 H HD2 . LYS A 1 30 ? -6.117 8.740 -7.321 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 17 +ATOM 26049 H HD3 . LYS A 1 30 ? -7.379 7.675 -6.701 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 17 +ATOM 26050 H HE2 . LYS A 1 30 ? -8.047 9.400 -5.096 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 17 +ATOM 26051 H HE3 . LYS A 1 30 ? -6.749 10.440 -5.682 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 17 +ATOM 26052 H HZ1 . LYS A 1 30 ? -9.078 9.510 -7.275 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 17 +ATOM 26053 H HZ2 . LYS A 1 30 ? -7.831 10.478 -7.850 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 17 +ATOM 26054 H HZ3 . LYS A 1 30 ? -8.845 11.050 -6.662 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 17 +ATOM 26055 N N . LYS A 1 31 ? -5.798 9.037 -1.769 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 17 +ATOM 26056 C CA . LYS A 1 31 ? -5.384 10.287 -1.141 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 17 +ATOM 26057 C C . LYS A 1 31 ? -4.183 10.058 -0.254 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 17 +ATOM 26058 O O . LYS A 1 31 ? -3.227 10.832 -0.283 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 17 +ATOM 26059 C CB . LYS A 1 31 ? -6.515 10.889 -0.312 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 17 +ATOM 26060 C CG . LYS A 1 31 ? -7.686 11.368 -1.112 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 17 +ATOM 26061 C CD . LYS A 1 31 ? -8.777 11.870 -0.198 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 17 +ATOM 26062 C CE . LYS A 1 31 ? -9.945 12.401 -0.984 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 17 +ATOM 26063 N NZ . LYS A 1 31 ? -9.581 13.580 -1.809 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 17 +ATOM 26064 H H . LYS A 1 31 ? -6.723 8.722 -1.666 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 17 +ATOM 26065 H HA . LYS A 1 31 ? -5.119 10.979 -1.925 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 17 +ATOM 26066 H HB2 . LYS A 1 31 ? -6.888 10.142 0.372 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 17 +ATOM 26067 H HB3 . LYS A 1 31 ? -6.132 11.725 0.254 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 17 +ATOM 26068 H HG2 . LYS A 1 31 ? -7.368 12.170 -1.762 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 17 +ATOM 26069 H HG3 . LYS A 1 31 ? -8.071 10.549 -1.702 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 17 +ATOM 26070 H HD2 . LYS A 1 31 ? -9.117 11.057 0.426 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 17 +ATOM 26071 H HD3 . LYS A 1 31 ? -8.384 12.659 0.425 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 17 +ATOM 26072 H HE2 . LYS A 1 31 ? -10.271 11.601 -1.632 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 17 +ATOM 26073 H HE3 . LYS A 1 31 ? -10.726 12.664 -0.289 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 17 +ATOM 26074 H HZ1 . LYS A 1 31 ? -8.893 13.341 -2.550 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 17 +ATOM 26075 H HZ2 . LYS A 1 31 ? -9.153 14.324 -1.218 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 17 +ATOM 26076 H HZ3 . LYS A 1 31 ? -10.421 14.000 -2.254 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 17 +ATOM 26077 N N . LYS A 1 32 ? -4.223 8.982 0.502 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 17 +ATOM 26078 C CA . LYS A 1 32 ? -3.132 8.628 1.383 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 17 +ATOM 26079 C C . LYS A 1 32 ? -1.880 8.285 0.587 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 17 +ATOM 26080 O O . LYS A 1 32 ? -0.783 8.658 0.967 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 17 +ATOM 26081 C CB . LYS A 1 32 ? -3.522 7.473 2.299 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 17 +ATOM 26082 C CG . LYS A 1 32 ? -4.744 7.736 3.172 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 17 +ATOM 26083 C CD . LYS A 1 32 ? -4.532 8.904 4.121 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 17 +ATOM 26084 C CE . LYS A 1 32 ? -5.758 9.123 4.987 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 17 +ATOM 26085 N NZ . LYS A 1 32 ? -5.568 10.225 5.957 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 17 +ATOM 26086 H H . LYS A 1 32 ? -5.021 8.412 0.459 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 17 +ATOM 26087 H HA . LYS A 1 32 ? -2.897 9.487 1.989 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 17 +ATOM 26088 H HB2 . LYS A 1 32 ? -3.723 6.601 1.693 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 17 +ATOM 26089 H HB3 . LYS A 1 32 ? -2.687 7.267 2.951 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 17 +ATOM 26090 H HG2 . LYS A 1 32 ? -5.588 7.958 2.536 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 17 +ATOM 26091 H HG3 . LYS A 1 32 ? -4.957 6.848 3.750 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 17 +ATOM 26092 H HD2 . LYS A 1 32 ? -3.683 8.695 4.755 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 17 +ATOM 26093 H HD3 . LYS A 1 32 ? -4.343 9.800 3.549 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 17 +ATOM 26094 H HE2 . LYS A 1 32 ? -6.605 9.343 4.354 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 17 +ATOM 26095 H HE3 . LYS A 1 32 ? -5.937 8.202 5.523 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 17 +ATOM 26096 H HZ1 . LYS A 1 32 ? -4.825 9.990 6.644 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 17 +ATOM 26097 H HZ2 . LYS A 1 32 ? -6.446 10.422 6.477 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 17 +ATOM 26098 H HZ3 . LYS A 1 32 ? -5.291 11.100 5.468 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 17 +ATOM 26099 N N . LEU A 1 33 ? -2.060 7.610 -0.535 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 17 +ATOM 26100 C CA . LEU A 1 33 ? -0.955 7.232 -1.394 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 17 +ATOM 26101 C C . LEU A 1 33 ? -0.277 8.449 -2.000 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 17 +ATOM 26102 O O . LEU A 1 33 ? 0.950 8.569 -1.965 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 17 +ATOM 26103 C CB . LEU A 1 33 ? -1.434 6.300 -2.507 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 17 +ATOM 26104 C CG . LEU A 1 33 ? -2.040 4.978 -2.056 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 17 +ATOM 26105 C CD1 . LEU A 1 33 ? -2.507 4.175 -3.250 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 17 +ATOM 26106 C CD2 . LEU A 1 33 ? -1.037 4.192 -1.233 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 17 +ATOM 26107 H H . LEU A 1 33 ? -2.966 7.339 -0.794 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 17 +ATOM 26108 H HA . LEU A 1 33 ? -0.234 6.700 -0.792 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 17 +ATOM 26109 H HB2 . LEU A 1 33 ? -2.174 6.830 -3.089 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 17 +ATOM 26110 H HB3 . LEU A 1 33 ? -0.593 6.081 -3.147 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 17 +ATOM 26111 H HG . LEU A 1 33 ? -2.901 5.182 -1.435 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 17 +ATOM 26112 H HD11 . LEU A 1 33 ? -2.931 3.240 -2.915 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 17 +ATOM 26113 H HD12 . LEU A 1 33 ? -1.669 3.979 -3.902 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 17 +ATOM 26114 H HD13 . LEU A 1 33 ? -3.256 4.736 -3.788 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 17 +ATOM 26115 H HD21 . LEU A 1 33 ? -1.463 3.241 -0.955 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 17 +ATOM 26116 H HD22 . LEU A 1 33 ? -0.816 4.757 -0.340 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 17 +ATOM 26117 H HD23 . LEU A 1 33 ? -0.132 4.041 -1.803 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 17 +ATOM 26118 N N . VAL A 1 34 ? -1.067 9.366 -2.523 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 17 +ATOM 26119 C CA . VAL A 1 34 ? -0.509 10.532 -3.170 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 17 +ATOM 26120 C C . VAL A 1 34 ? 0.228 11.436 -2.162 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 17 +ATOM 26121 O O . VAL A 1 34 ? 1.314 11.939 -2.456 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 17 +ATOM 26122 C CB . VAL A 1 34 ? -1.562 11.322 -4.028 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 17 +ATOM 26123 C CG1 . VAL A 1 34 ? -2.675 11.926 -3.191 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 17 +ATOM 26124 C CG2 . VAL A 1 34 ? -0.894 12.382 -4.890 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 17 +ATOM 26125 H H . VAL A 1 34 ? -2.041 9.237 -2.474 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 17 +ATOM 26126 H HA . VAL A 1 34 ? 0.252 10.145 -3.834 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 17 +ATOM 26127 H HB . VAL A 1 34 ? -2.030 10.606 -4.690 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 17 +ATOM 26128 H HG11 . VAL A 1 34 ? -3.179 11.137 -2.652 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 17 +ATOM 26129 H HG12 . VAL A 1 34 ? -3.379 12.431 -3.835 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 17 +ATOM 26130 H HG13 . VAL A 1 34 ? -2.254 12.629 -2.489 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 17 +ATOM 26131 H HG21 . VAL A 1 34 ? -0.187 11.913 -5.558 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 17 +ATOM 26132 H HG22 . VAL A 1 34 ? -0.383 13.091 -4.257 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 17 +ATOM 26133 H HG23 . VAL A 1 34 ? -1.653 12.890 -5.467 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 17 +ATOM 26134 N N . GLU A 1 35 ? -0.344 11.622 -0.973 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 17 +ATOM 26135 C CA . GLU A 1 35 ? 0.312 12.427 0.051 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 17 +ATOM 26136 C C . GLU A 1 35 ? 1.553 11.729 0.610 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 17 +ATOM 26137 O O . GLU A 1 35 ? 2.564 12.366 0.867 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 17 +ATOM 26138 C CB . GLU A 1 35 ? -0.639 12.839 1.184 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 17 +ATOM 26139 C CG . GLU A 1 35 ? -1.211 11.689 1.985 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 17 +ATOM 26140 C CD . GLU A 1 35 ? -2.106 12.142 3.093 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 17 +ATOM 26141 O OE1 . GLU A 1 35 ? -1.600 12.430 4.196 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 17 +ATOM 26142 O OE2 . GLU A 1 35 ? -3.323 12.225 2.888 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 17 +ATOM 26143 H H . GLU A 1 35 ? -1.216 11.211 -0.784 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 17 +ATOM 26144 H HA . GLU A 1 35 ? 0.657 13.319 -0.452 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 17 +ATOM 26145 H HB2 . GLU A 1 35 ? -0.106 13.484 1.865 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 17 +ATOM 26146 H HB3 . GLU A 1 35 ? -1.458 13.396 0.754 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 17 +ATOM 26147 H HG2 . GLU A 1 35 ? -1.780 11.065 1.312 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 17 +ATOM 26148 H HG3 . GLU A 1 35 ? -0.395 11.114 2.398 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 17 +ATOM 26149 N N . VAL A 1 36 ? 1.476 10.411 0.765 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 17 +ATOM 26150 C CA . VAL A 1 36 ? 2.556 9.652 1.359 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 17 +ATOM 26151 C C . VAL A 1 36 ? 3.817 9.709 0.498 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 17 +ATOM 26152 O O . VAL A 1 36 ? 4.897 9.662 1.008 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 17 +ATOM 26153 C CB . VAL A 1 36 ? 2.168 8.186 1.748 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 17 +ATOM 26154 C CG1 . VAL A 1 36 ? 2.222 7.213 0.577 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 17 +ATOM 26155 C CG2 . VAL A 1 36 ? 2.991 7.697 2.927 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 17 +ATOM 26156 H H . VAL A 1 36 ? 0.663 9.932 0.487 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 17 +ATOM 26157 H HA . VAL A 1 36 ? 2.799 10.192 2.264 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 17 +ATOM 26158 H HB . VAL A 1 36 ? 1.136 8.221 2.065 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 17 +ATOM 26159 H HG11 . VAL A 1 36 ? 1.911 6.233 0.904 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 17 +ATOM 26160 H HG12 . VAL A 1 36 ? 3.236 7.163 0.205 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 17 +ATOM 26161 H HG13 . VAL A 1 36 ? 1.572 7.560 -0.213 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 17 +ATOM 26162 H HG21 . VAL A 1 36 ? 2.698 6.689 3.179 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 17 +ATOM 26163 H HG22 . VAL A 1 36 ? 2.832 8.345 3.776 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 17 +ATOM 26164 H HG23 . VAL A 1 36 ? 4.032 7.709 2.648 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 17 +ATOM 26165 N N . LEU A 1 37 ? 3.643 9.837 -0.815 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 17 +ATOM 26166 C CA . LEU A 1 37 ? 4.756 9.895 -1.773 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 17 +ATOM 26167 C C . LEU A 1 37 ? 5.796 10.987 -1.458 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 17 +ATOM 26168 O O . LEU A 1 37 ? 6.957 10.839 -1.838 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 17 +ATOM 26169 C CB . LEU A 1 37 ? 4.234 10.117 -3.200 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 17 +ATOM 26170 C CG . LEU A 1 37 ? 3.427 8.981 -3.824 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 17 +ATOM 26171 C CD1 . LEU A 1 37 ? 2.884 9.403 -5.178 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 17 +ATOM 26172 C CD2 . LEU A 1 37 ? 4.287 7.740 -3.972 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 17 +ATOM 26173 H H . LEU A 1 37 ? 2.723 9.862 -1.154 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 17 +ATOM 26174 H HA . LEU A 1 37 ? 5.255 8.939 -1.753 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 17 +ATOM 26175 H HB2 . LEU A 1 37 ? 3.608 10.996 -3.187 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 17 +ATOM 26176 H HB3 . LEU A 1 37 ? 5.084 10.317 -3.836 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 17 +ATOM 26177 H HG . LEU A 1 37 ? 2.591 8.742 -3.185 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 17 +ATOM 26178 H HD11 . LEU A 1 37 ? 2.242 10.264 -5.057 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 17 +ATOM 26179 H HD12 . LEU A 1 37 ? 2.319 8.592 -5.611 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 17 +ATOM 26180 H HD13 . LEU A 1 37 ? 3.705 9.659 -5.829 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 17 +ATOM 26181 H HD21 . LEU A 1 37 ? 3.730 6.972 -4.487 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 17 +ATOM 26182 H HD22 . LEU A 1 37 ? 4.574 7.375 -2.998 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 17 +ATOM 26183 H HD23 . LEU A 1 37 ? 5.170 7.982 -4.543 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 17 +ATOM 26184 N N . GLU A 1 38 ? 5.404 12.067 -0.774 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 17 +ATOM 26185 C CA . GLU A 1 38 ? 6.372 13.115 -0.472 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 17 +ATOM 26186 C C . GLU A 1 38 ? 7.251 12.768 0.739 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 17 +ATOM 26187 O O . GLU A 1 38 ? 8.416 13.172 0.820 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 17 +ATOM 26188 C CB . GLU A 1 38 ? 5.710 14.505 -0.385 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 17 +ATOM 26189 C CG . GLU A 1 38 ? 4.539 14.649 0.586 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 17 +ATOM 26190 C CD . GLU A 1 38 ? 4.932 14.652 2.039 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 17 +ATOM 26191 O OE1 . GLU A 1 38 ? 5.861 15.392 2.416 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 17 +ATOM 26192 O OE2 . GLU A 1 38 ? 4.316 13.914 2.837 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 17 +ATOM 26193 H H . GLU A 1 38 ? 4.475 12.157 -0.466 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 17 +ATOM 26194 H HA . GLU A 1 38 ? 7.043 13.110 -1.320 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 17 +ATOM 26195 H HB2 . GLU A 1 38 ? 6.463 15.221 -0.091 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 17 +ATOM 26196 H HB3 . GLU A 1 38 ? 5.364 14.770 -1.373 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 17 +ATOM 26197 H HG2 . GLU A 1 38 ? 3.992 15.552 0.370 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 17 +ATOM 26198 H HG3 . GLU A 1 38 ? 3.878 13.806 0.433 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 17 +ATOM 26199 N N . SER A 1 39 ? 6.700 12.005 1.644 1.00 0.00 ? ? ? ? ? ? 36 SER A N 17 +ATOM 26200 C CA . SER A 1 39 ? 7.410 11.536 2.809 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 17 +ATOM 26201 C C . SER A 1 39 ? 6.963 10.111 3.113 1.00 0.00 ? ? ? ? ? ? 36 SER A C 17 +ATOM 26202 O O . SER A 1 39 ? 6.169 9.893 4.010 1.00 0.00 ? ? ? ? ? ? 36 SER A O 17 +ATOM 26203 C CB . SER A 1 39 ? 7.159 12.451 4.031 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 17 +ATOM 26204 O OG . SER A 1 39 ? 7.553 13.808 3.784 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 17 +ATOM 26205 H H . SER A 1 39 ? 5.774 11.706 1.521 1.00 0.00 ? ? ? ? ? ? 36 SER A H 17 +ATOM 26206 H HA . SER A 1 39 ? 8.468 11.500 2.598 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 17 +ATOM 26207 H HB2 . SER A 1 39 ? 6.104 12.441 4.266 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 17 +ATOM 26208 H HB3 . SER A 1 39 ? 7.718 12.074 4.875 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 17 +ATOM 26209 H HG . SER A 1 39 ? 6.902 14.197 3.174 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 17 +ATOM 26210 N N . PRO A 1 40 ? 7.381 9.119 2.293 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 17 +ATOM 26211 C CA . PRO A 1 40 ? 6.977 7.736 2.503 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 17 +ATOM 26212 C C . PRO A 1 40 ? 7.676 7.111 3.682 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 17 +ATOM 26213 O O . PRO A 1 40 ? 7.131 6.246 4.335 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 17 +ATOM 26214 C CB . PRO A 1 40 ? 7.358 7.038 1.199 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 17 +ATOM 26215 C CG . PRO A 1 40 ? 8.467 7.855 0.658 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 17 +ATOM 26216 C CD . PRO A 1 40 ? 8.172 9.274 1.053 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 17 +ATOM 26217 H HA . PRO A 1 40 ? 5.914 7.662 2.659 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 17 +ATOM 26218 H HB2 . PRO A 1 40 ? 7.666 6.023 1.401 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 17 +ATOM 26219 H HB3 . PRO A 1 40 ? 6.509 7.038 0.531 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 17 +ATOM 26220 H HG2 . PRO A 1 40 ? 9.402 7.532 1.096 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 17 +ATOM 26221 H HG3 . PRO A 1 40 ? 8.507 7.763 -0.417 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 17 +ATOM 26222 H HD2 . PRO A 1 40 ? 9.081 9.830 1.232 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 17 +ATOM 26223 H HD3 . PRO A 1 40 ? 7.568 9.749 0.291 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 17 +ATOM 26224 N N . ARG A 1 41 ? 8.866 7.595 3.975 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 17 +ATOM 26225 C CA . ARG A 1 41 ? 9.662 7.084 5.078 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 17 +ATOM 26226 C C . ARG A 1 41 ? 9.233 7.617 6.438 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 17 +ATOM 26227 O O . ARG A 1 41 ? 9.929 8.406 7.073 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 17 +ATOM 26228 C CB . ARG A 1 41 ? 11.188 7.197 4.828 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 17 +ATOM 26229 C CG . ARG A 1 41 ? 11.618 8.352 3.919 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 17 +ATOM 26230 C CD . ARG A 1 41 ? 11.271 9.732 4.459 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 17 +ATOM 26231 N NE . ARG A 1 41 ? 11.523 10.739 3.437 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 17 +ATOM 26232 C CZ . ARG A 1 41 ? 11.094 12.001 3.431 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 17 +ATOM 26233 N NH1 . ARG A 1 41 ? 10.496 12.520 4.498 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 17 +ATOM 26234 N NH2 . ARG A 1 41 ? 11.300 12.750 2.353 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 17 +ATOM 26235 H H . ARG A 1 41 ? 9.191 8.336 3.426 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 17 +ATOM 26236 H HA . ARG A 1 41 ? 9.416 6.031 5.109 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 17 +ATOM 26237 H HB2 . ARG A 1 41 ? 11.678 7.328 5.781 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 17 +ATOM 26238 H HB3 . ARG A 1 41 ? 11.532 6.272 4.391 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 17 +ATOM 26239 H HG2 . ARG A 1 41 ? 12.686 8.306 3.774 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 17 +ATOM 26240 H HG3 . ARG A 1 41 ? 11.134 8.222 2.962 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 17 +ATOM 26241 H HD2 . ARG A 1 41 ? 10.226 9.751 4.730 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 17 +ATOM 26242 H HD3 . ARG A 1 41 ? 11.879 9.946 5.326 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 17 +ATOM 26243 H HE . ARG A 1 41 ? 12.027 10.411 2.657 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 17 +ATOM 26244 H HH11 . ARG A 1 41 ? 10.340 12.006 5.346 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 17 +ATOM 26245 H HH12 . ARG A 1 41 ? 10.173 13.468 4.496 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 17 +ATOM 26246 H HH21 . ARG A 1 41 ? 11.776 12.373 1.552 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 17 +ATOM 26247 H HH22 . ARG A 1 41 ? 10.978 13.699 2.285 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 17 +ATOM 26248 N N . ILE A 1 42 ? 8.049 7.234 6.816 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 17 +ATOM 26249 C CA . ILE A 1 42 ? 7.479 7.546 8.105 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 17 +ATOM 26250 C C . ILE A 1 42 ? 7.565 6.289 8.960 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 17 +ATOM 26251 O O . ILE A 1 42 ? 6.922 5.279 8.645 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 17 +ATOM 26252 C CB . ILE A 1 42 ? 5.988 7.979 7.964 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 17 +ATOM 26253 C CG1 . ILE A 1 42 ? 5.878 9.205 7.049 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 17 +ATOM 26254 C CG2 . ILE A 1 42 ? 5.380 8.283 9.333 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 17 +ATOM 26255 C CD1 . ILE A 1 42 ? 4.455 9.630 6.733 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 17 +ATOM 26256 H H . ILE A 1 42 ? 7.527 6.710 6.166 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 17 +ATOM 26257 H HA . ILE A 1 42 ? 8.051 8.343 8.557 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 17 +ATOM 26258 H HB . ILE A 1 42 ? 5.438 7.162 7.521 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 17 +ATOM 26259 H HG12 . ILE A 1 42 ? 6.369 10.042 7.523 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 17 +ATOM 26260 H HG13 . ILE A 1 42 ? 6.377 8.990 6.116 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 17 +ATOM 26261 H HG21 . ILE A 1 42 ? 5.452 7.408 9.961 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 17 +ATOM 26262 H HG22 . ILE A 1 42 ? 4.342 8.555 9.211 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 17 +ATOM 26263 H HG23 . ILE A 1 42 ? 5.916 9.102 9.789 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 17 +ATOM 26264 H HD11 . ILE A 1 42 ? 3.938 9.871 7.648 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 17 +ATOM 26265 H HD12 . ILE A 1 42 ? 3.942 8.824 6.230 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 17 +ATOM 26266 H HD13 . ILE A 1 42 ? 4.471 10.497 6.088 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 17 +ATOM 26267 N N . GLU A 1 43 ? 8.349 6.344 10.033 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 17 +ATOM 26268 C CA . GLU A 1 43 ? 8.578 5.174 10.897 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 17 +ATOM 26269 C C . GLU A 1 43 ? 7.277 4.642 11.508 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 17 +ATOM 26270 O O . GLU A 1 43 ? 7.132 3.447 11.735 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 17 +ATOM 26271 C CB . GLU A 1 43 ? 9.587 5.487 12.000 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 17 +ATOM 26272 C CG . GLU A 1 43 ? 9.159 6.595 12.934 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 17 +ATOM 26273 C CD . GLU A 1 43 ? 10.111 6.775 14.067 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 17 +ATOM 26274 O OE1 . GLU A 1 43 ? 9.965 6.088 15.094 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 17 +ATOM 26275 O OE2 . GLU A 1 43 ? 11.022 7.608 13.962 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 17 +ATOM 26276 H H . GLU A 1 43 ? 8.792 7.193 10.252 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 17 +ATOM 26277 H HA . GLU A 1 43 ? 8.994 4.403 10.267 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 17 +ATOM 26278 H HB2 . GLU A 1 43 ? 9.747 4.595 12.589 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 17 +ATOM 26279 H HB3 . GLU A 1 43 ? 10.522 5.771 11.541 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 17 +ATOM 26280 H HG2 . GLU A 1 43 ? 9.111 7.519 12.376 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 17 +ATOM 26281 H HG3 . GLU A 1 43 ? 8.182 6.360 13.328 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 17 +ATOM 26282 N N . ALA A 1 44 ? 6.318 5.536 11.696 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 17 +ATOM 26283 C CA . ALA A 1 44 ? 5.038 5.203 12.306 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 17 +ATOM 26284 C C . ALA A 1 44 ? 4.218 4.234 11.450 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 17 +ATOM 26285 O O . ALA A 1 44 ? 3.302 3.564 11.948 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 17 +ATOM 26286 C CB . ALA A 1 44 ? 4.245 6.472 12.570 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 17 +ATOM 26287 H H . ALA A 1 44 ? 6.497 6.459 11.419 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 17 +ATOM 26288 H HA . ALA A 1 44 ? 5.242 4.736 13.258 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 17 +ATOM 26289 H HB1 . ALA A 1 44 ? 4.000 6.944 11.630 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 17 +ATOM 26290 H HB2 . ALA A 1 44 ? 4.835 7.151 13.166 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 17 +ATOM 26291 H HB3 . ALA A 1 44 ? 3.334 6.225 13.095 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 17 +ATOM 26292 N N . ASN A 1 45 ? 4.541 4.139 10.180 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 17 +ATOM 26293 C CA . ASN A 1 45 ? 3.792 3.263 9.296 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 17 +ATOM 26294 C C . ASN A 1 45 ? 4.576 2.029 8.925 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 17 +ATOM 26295 O O . ASN A 1 45 ? 4.052 1.156 8.236 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 17 +ATOM 26296 C CB . ASN A 1 45 ? 3.316 3.984 8.024 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 17 +ATOM 26297 C CG . ASN A 1 45 ? 2.243 5.019 8.277 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 17 +ATOM 26298 O OD1 . ASN A 1 45 ? 1.458 4.910 9.217 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 17 +ATOM 26299 N ND2 . ASN A 1 45 ? 2.185 6.022 7.437 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 17 +ATOM 26300 H H . ASN A 1 45 ? 5.304 4.649 9.830 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 17 +ATOM 26301 H HA . ASN A 1 45 ? 2.919 2.943 9.845 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 17 +ATOM 26302 H HB2 . ASN A 1 45 ? 4.155 4.497 7.579 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 17 +ATOM 26303 H HB3 . ASN A 1 45 ? 2.932 3.254 7.326 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 17 +ATOM 26304 H HD21 . ASN A 1 45 ? 2.826 6.058 6.698 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 17 +ATOM 26305 H HD22 . ASN A 1 45 ? 1.480 6.690 7.578 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 17 +ATOM 26306 N N . LYS A 1 46 ? 5.814 1.931 9.396 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 17 +ATOM 26307 C CA . LYS A 1 46 ? 6.658 0.810 9.017 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 17 +ATOM 26308 C C . LYS A 1 46 ? 6.268 -0.452 9.728 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 17 +ATOM 26309 O O . LYS A 1 46 ? 5.908 -0.451 10.933 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 17 +ATOM 26310 C CB . LYS A 1 46 ? 8.164 1.070 9.220 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 17 +ATOM 26311 C CG . LYS A 1 46 ? 8.666 2.294 8.503 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 17 +ATOM 26312 C CD . LYS A 1 46 ? 10.189 2.370 8.383 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 17 +ATOM 26313 C CE . LYS A 1 46 ? 10.707 1.429 7.287 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 17 +ATOM 26314 N NZ . LYS A 1 46 ? 12.150 1.613 7.014 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 17 +ATOM 26315 H H . LYS A 1 46 ? 6.150 2.599 10.030 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 17 +ATOM 26316 H HA . LYS A 1 46 ? 6.487 0.648 7.963 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 17 +ATOM 26317 H HB2 . LYS A 1 46 ? 8.351 1.200 10.276 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 17 +ATOM 26318 H HB3 . LYS A 1 46 ? 8.717 0.211 8.869 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 17 +ATOM 26319 H HG2 . LYS A 1 46 ? 8.263 2.253 7.502 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 17 +ATOM 26320 H HG3 . LYS A 1 46 ? 8.287 3.175 8.995 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 17 +ATOM 26321 H HD2 . LYS A 1 46 ? 10.470 3.384 8.140 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 17 +ATOM 26322 H HD3 . LYS A 1 46 ? 10.630 2.089 9.328 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 17 +ATOM 26323 H HE2 . LYS A 1 46 ? 10.543 0.409 7.598 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 17 +ATOM 26324 H HE3 . LYS A 1 46 ? 10.150 1.617 6.380 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 17 +ATOM 26325 H HZ1 . LYS A 1 46 ? 12.427 1.144 6.122 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 17 +ATOM 26326 H HZ2 . LYS A 1 46 ? 12.725 1.193 7.771 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 17 +ATOM 26327 H HZ3 . LYS A 1 46 ? 12.396 2.620 6.939 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 17 +ATOM 26328 N N . LEU A 1 47 ? 6.305 -1.512 8.983 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 17 +ATOM 26329 C CA . LEU A 1 47 ? 6.075 -2.816 9.494 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 17 +ATOM 26330 C C . LEU A 1 47 ? 7.332 -3.289 10.204 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 17 +ATOM 26331 O O . LEU A 1 47 ? 8.443 -2.909 9.823 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 17 +ATOM 26332 C CB . LEU A 1 47 ? 5.671 -3.756 8.364 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 17 +ATOM 26333 C CG . LEU A 1 47 ? 4.321 -3.455 7.707 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 17 +ATOM 26334 C CD1 . LEU A 1 47 ? 4.051 -4.403 6.563 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 17 +ATOM 26335 C CD2 . LEU A 1 47 ? 3.209 -3.561 8.720 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 17 +ATOM 26336 H H . LEU A 1 47 ? 6.501 -1.397 8.026 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 17 +ATOM 26337 H HA . LEU A 1 47 ? 5.267 -2.752 10.208 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 17 +ATOM 26338 H HB2 . LEU A 1 47 ? 6.426 -3.668 7.598 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 17 +ATOM 26339 H HB3 . LEU A 1 47 ? 5.659 -4.771 8.730 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 17 +ATOM 26340 H HG . LEU A 1 47 ? 4.324 -2.447 7.320 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 17 +ATOM 26341 H HD11 . LEU A 1 47 ? 4.837 -4.335 5.827 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 17 +ATOM 26342 H HD12 . LEU A 1 47 ? 3.110 -4.130 6.108 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 17 +ATOM 26343 H HD13 . LEU A 1 47 ? 3.983 -5.413 6.939 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 17 +ATOM 26344 H HD21 . LEU A 1 47 ? 3.209 -4.551 9.154 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 17 +ATOM 26345 H HD22 . LEU A 1 47 ? 2.272 -3.397 8.212 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 17 +ATOM 26346 H HD23 . LEU A 1 47 ? 3.336 -2.819 9.494 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 17 +ATOM 26347 N N . ARG A 1 48 ? 7.141 -4.109 11.209 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 17 +ATOM 26348 C CA . ARG A 1 48 ? 8.197 -4.549 12.106 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 17 +ATOM 26349 C C . ARG A 1 48 ? 9.286 -5.313 11.370 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 17 +ATOM 26350 O O . ARG A 1 48 ? 10.433 -4.864 11.282 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 17 +ATOM 26351 C CB . ARG A 1 48 ? 7.598 -5.448 13.175 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 17 +ATOM 26352 C CG . ARG A 1 48 ? 6.491 -4.814 13.983 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 17 +ATOM 26353 C CD . ARG A 1 48 ? 5.876 -5.833 14.906 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 17 +ATOM 26354 N NE . ARG A 1 48 ? 4.760 -5.291 15.673 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 17 +ATOM 26355 C CZ . ARG A 1 48 ? 3.835 -6.033 16.293 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 17 +ATOM 26356 N NH1 . ARG A 1 48 ? 3.868 -7.366 16.210 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 17 +ATOM 26357 N NH2 . ARG A 1 48 ? 2.888 -5.446 16.999 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 17 +ATOM 26358 H H . ARG A 1 48 ? 6.241 -4.468 11.350 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 17 +ATOM 26359 H HA . ARG A 1 48 ? 8.622 -3.685 12.593 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 17 +ATOM 26360 H HB2 . ARG A 1 48 ? 7.202 -6.334 12.701 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 17 +ATOM 26361 H HB3 . ARG A 1 48 ? 8.383 -5.742 13.851 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 17 +ATOM 26362 H HG2 . ARG A 1 48 ? 6.897 -4.002 14.569 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 17 +ATOM 26363 H HG3 . ARG A 1 48 ? 5.732 -4.437 13.315 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 17 +ATOM 26364 H HD2 . ARG A 1 48 ? 5.513 -6.657 14.310 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 17 +ATOM 26365 H HD3 . ARG A 1 48 ? 6.637 -6.188 15.587 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 17 +ATOM 26366 H HE . ARG A 1 48 ? 4.734 -4.306 15.725 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 17 +ATOM 26367 H HH11 . ARG A 1 48 ? 4.576 -7.853 15.691 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 17 +ATOM 26368 H HH12 . ARG A 1 48 ? 3.184 -7.929 16.678 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 17 +ATOM 26369 H HH21 . ARG A 1 48 ? 2.840 -4.449 17.098 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 17 +ATOM 26370 H HH22 . ARG A 1 48 ? 2.170 -5.972 17.463 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 17 +ATOM 26371 N N . GLY A 1 49 ? 8.925 -6.450 10.838 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 17 +ATOM 26372 C CA . GLY A 1 49 ? 9.885 -7.280 10.174 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 17 +ATOM 26373 C C . GLY A 1 49 ? 9.590 -7.399 8.724 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 17 +ATOM 26374 O O . GLY A 1 49 ? 9.311 -8.486 8.233 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 17 +ATOM 26375 H H . GLY A 1 49 ? 7.985 -6.721 10.888 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 17 +ATOM 26376 H HA2 . GLY A 1 49 ? 10.865 -6.846 10.297 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 17 +ATOM 26377 H HA3 . GLY A 1 49 ? 9.873 -8.264 10.620 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 17 +ATOM 26378 N N . MET A 1 50 ? 9.613 -6.287 8.038 1.00 0.00 ? ? ? ? ? ? 47 MET A N 17 +ATOM 26379 C CA . MET A 1 50 ? 9.337 -6.244 6.615 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 17 +ATOM 26380 C C . MET A 1 50 ? 10.274 -5.247 5.953 1.00 0.00 ? ? ? ? ? ? 47 MET A C 17 +ATOM 26381 O O . MET A 1 50 ? 10.558 -4.186 6.538 1.00 0.00 ? ? ? ? ? ? 47 MET A O 17 +ATOM 26382 C CB . MET A 1 50 ? 7.881 -5.837 6.347 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 17 +ATOM 26383 C CG . MET A 1 50 ? 6.817 -6.829 6.819 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 17 +ATOM 26384 S SD . MET A 1 50 ? 6.863 -8.412 5.950 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 17 +ATOM 26385 C CE . MET A 1 50 ? 6.488 -7.897 4.271 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 17 +ATOM 26386 H H . MET A 1 50 ? 9.855 -5.449 8.490 1.00 0.00 ? ? ? ? ? ? 47 MET A H 17 +ATOM 26387 H HA . MET A 1 50 ? 9.514 -7.228 6.208 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 17 +ATOM 26388 H HB2 . MET A 1 50 ? 7.715 -4.900 6.855 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 17 +ATOM 26389 H HB3 . MET A 1 50 ? 7.758 -5.675 5.286 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 17 +ATOM 26390 H HG2 . MET A 1 50 ? 6.969 -7.019 7.871 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 17 +ATOM 26391 H HG3 . MET A 1 50 ? 5.844 -6.383 6.676 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 17 +ATOM 26392 H HE1 . MET A 1 50 ? 7.231 -7.194 3.925 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 17 +ATOM 26393 H HE2 . MET A 1 50 ? 5.513 -7.434 4.249 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 17 +ATOM 26394 H HE3 . MET A 1 50 ? 6.484 -8.763 3.627 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 17 +ATOM 26395 N N . PRO A 1 51 ? 10.776 -5.563 4.747 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 17 +ATOM 26396 C CA . PRO A 1 51 ? 11.702 -4.691 4.013 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 17 +ATOM 26397 C C . PRO A 1 51 ? 11.031 -3.406 3.502 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 17 +ATOM 26398 O O . PRO A 1 51 ? 10.345 -3.414 2.462 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 17 +ATOM 26399 C CB . PRO A 1 51 ? 12.177 -5.565 2.847 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 17 +ATOM 26400 C CG . PRO A 1 51 ? 11.091 -6.567 2.648 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 17 +ATOM 26401 C CD . PRO A 1 51 ? 10.494 -6.812 4.003 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 17 +ATOM 26402 H HA . PRO A 1 51 ? 12.543 -4.419 4.633 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 17 +ATOM 26403 H HB2 . PRO A 1 51 ? 12.322 -4.955 1.967 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 17 +ATOM 26404 H HB3 . PRO A 1 51 ? 13.103 -6.047 3.118 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 17 +ATOM 26405 H HG2 . PRO A 1 51 ? 10.342 -6.174 1.976 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 17 +ATOM 26406 H HG3 . PRO A 1 51 ? 11.506 -7.483 2.255 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 17 +ATOM 26407 H HD2 . PRO A 1 51 ? 9.430 -6.977 3.922 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 17 +ATOM 26408 H HD3 . PRO A 1 51 ? 10.969 -7.657 4.479 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 17 +ATOM 26409 N N . ASP A 1 52 ? 11.177 -2.330 4.296 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 17 +ATOM 26410 C CA . ASP A 1 52 ? 10.625 -0.988 4.008 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 17 +ATOM 26411 C C . ASP A 1 52 ? 9.173 -1.045 3.606 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 17 +ATOM 26412 O O . ASP A 1 52 ? 8.743 -0.393 2.654 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 17 +ATOM 26413 C CB . ASP A 1 52 ? 11.447 -0.203 2.964 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 17 +ATOM 26414 C CG . ASP A 1 52 ? 12.799 0.249 3.477 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 17 +ATOM 26415 O OD1 . ASP A 1 52 ? 12.857 1.025 4.466 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 17 +ATOM 26416 O OD2 . ASP A 1 52 ? 13.834 -0.131 2.884 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 17 +ATOM 26417 H H . ASP A 1 52 ? 11.680 -2.453 5.129 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 17 +ATOM 26418 H HA . ASP A 1 52 ? 10.665 -0.450 4.944 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 17 +ATOM 26419 H HB2 . ASP A 1 52 ? 11.601 -0.827 2.096 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 17 +ATOM 26420 H HB3 . ASP A 1 52 ? 10.884 0.669 2.666 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 17 +ATOM 26421 N N . CYS A 1 53 ? 8.415 -1.816 4.327 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 17 +ATOM 26422 C CA . CYS A 1 53 ? 7.022 -1.942 4.040 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 17 +ATOM 26423 C C . CYS A 1 53 ? 6.241 -1.085 5.002 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 17 +ATOM 26424 O O . CYS A 1 53 ? 6.597 -0.979 6.187 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 17 +ATOM 26425 C CB . CYS A 1 53 ? 6.588 -3.394 4.121 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 17 +ATOM 26426 S SG . CYS A 1 53 ? 7.534 -4.509 3.052 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 17 +ATOM 26427 H H . CYS A 1 53 ? 8.802 -2.295 5.087 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 17 +ATOM 26428 H HA . CYS A 1 53 ? 6.850 -1.574 3.042 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 17 +ATOM 26429 H HB2 . CYS A 1 53 ? 6.714 -3.734 5.138 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 17 +ATOM 26430 H HB3 . CYS A 1 53 ? 5.548 -3.468 3.841 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 17 +ATOM 26431 H HG . CYS A 1 53 ? 8.631 -3.868 2.660 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 17 +ATOM 26432 N N . TYR A 1 54 ? 5.206 -0.477 4.511 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 17 +ATOM 26433 C CA . TYR A 1 54 ? 4.408 0.430 5.287 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 17 +ATOM 26434 C C . TYR A 1 54 ? 2.962 0.066 5.124 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 17 +ATOM 26435 O O . TYR A 1 54 ? 2.578 -0.570 4.124 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 17 +ATOM 26436 C CB . TYR A 1 54 ? 4.608 1.891 4.829 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 17 +ATOM 26437 C CG . TYR A 1 54 ? 6.031 2.416 4.885 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 17 +ATOM 26438 C CD1 . TYR A 1 54 ? 6.985 2.009 3.968 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 17 +ATOM 26439 C CD2 . TYR A 1 54 ? 6.411 3.326 5.842 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 17 +ATOM 26440 C CE1 . TYR A 1 54 ? 8.273 2.484 4.014 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 17 +ATOM 26441 C CE2 . TYR A 1 54 ? 7.697 3.809 5.888 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 17 +ATOM 26442 C CZ . TYR A 1 54 ? 8.623 3.381 4.973 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 17 +ATOM 26443 O OH . TYR A 1 54 ? 9.913 3.852 5.030 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 17 +ATOM 26444 H H . TYR A 1 54 ? 4.936 -0.655 3.579 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 17 +ATOM 26445 H HA . TYR A 1 54 ? 4.694 0.346 6.325 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 17 +ATOM 26446 H HB2 . TYR A 1 54 ? 4.259 2.003 3.813 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 17 +ATOM 26447 H HB3 . TYR A 1 54 ? 4.008 2.517 5.476 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 17 +ATOM 26448 H HD1 . TYR A 1 54 ? 6.706 1.294 3.209 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 17 +ATOM 26449 H HD2 . TYR A 1 54 ? 5.685 3.663 6.567 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 17 +ATOM 26450 H HE1 . TYR A 1 54 ? 9.000 2.150 3.289 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 17 +ATOM 26451 H HE2 . TYR A 1 54 ? 7.975 4.523 6.651 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 17 +ATOM 26452 H HH . TYR A 1 54 ? 10.222 4.018 4.133 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 17 +ATOM 26453 N N . LYS A 1 55 ? 2.175 0.447 6.081 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 17 +ATOM 26454 C CA . LYS A 1 55 ? 0.767 0.193 6.054 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 17 +ATOM 26455 C C . LYS A 1 55 ? -0.009 1.486 6.244 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 17 +ATOM 26456 O O . LYS A 1 55 ? 0.364 2.342 7.049 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 17 +ATOM 26457 C CB . LYS A 1 55 ? 0.390 -0.830 7.145 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 17 +ATOM 26458 C CG . LYS A 1 55 ? 0.903 -0.463 8.536 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 17 +ATOM 26459 C CD . LYS A 1 55 ? 0.513 -1.488 9.584 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 17 +ATOM 26460 C CE . LYS A 1 55 ? 1.227 -1.212 10.896 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 17 +ATOM 26461 N NZ . LYS A 1 55 ? 0.894 -2.208 11.936 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 17 +ATOM 26462 H H . LYS A 1 55 ? 2.553 0.934 6.844 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 17 +ATOM 26463 H HA . LYS A 1 55 ? 0.518 -0.227 5.091 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 17 +ATOM 26464 H HB2 . LYS A 1 55 ? -0.686 -0.911 7.190 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 17 +ATOM 26465 H HB3 . LYS A 1 55 ? 0.802 -1.791 6.875 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 17 +ATOM 26466 H HG2 . LYS A 1 55 ? 1.980 -0.396 8.502 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 17 +ATOM 26467 H HG3 . LYS A 1 55 ? 0.494 0.499 8.810 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 17 +ATOM 26468 H HD2 . LYS A 1 55 ? -0.553 -1.432 9.748 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 17 +ATOM 26469 H HD3 . LYS A 1 55 ? 0.771 -2.480 9.243 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 17 +ATOM 26470 H HE2 . LYS A 1 55 ? 2.292 -1.238 10.720 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 17 +ATOM 26471 H HE3 . LYS A 1 55 ? 0.951 -0.227 11.235 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 17 +ATOM 26472 H HZ1 . LYS A 1 55 ? 1.335 -1.960 12.845 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 17 +ATOM 26473 H HZ2 . LYS A 1 55 ? 1.219 -3.165 11.689 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 17 +ATOM 26474 H HZ3 . LYS A 1 55 ? -0.131 -2.259 12.094 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 17 +ATOM 26475 N N . ILE A 1 56 ? -1.063 1.616 5.502 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 17 +ATOM 26476 C CA . ILE A 1 56 ? -1.965 2.729 5.611 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 17 +ATOM 26477 C C . ILE A 1 56 ? -3.264 2.199 6.152 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 17 +ATOM 26478 O O . ILE A 1 56 ? -3.704 1.107 5.768 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 17 +ATOM 26479 C CB . ILE A 1 56 ? -2.202 3.432 4.234 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 17 +ATOM 26480 C CG1 . ILE A 1 56 ? -0.905 4.090 3.749 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 17 +ATOM 26481 C CG2 . ILE A 1 56 ? -3.343 4.464 4.307 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 17 +ATOM 26482 C CD1 . ILE A 1 56 ? -1.023 4.767 2.401 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 17 +ATOM 26483 H H . ILE A 1 56 ? -1.251 0.915 4.838 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 17 +ATOM 26484 H HA . ILE A 1 56 ? -1.546 3.435 6.312 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 17 +ATOM 26485 H HB . ILE A 1 56 ? -2.491 2.674 3.522 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 17 +ATOM 26486 H HG12 . ILE A 1 56 ? -0.607 4.841 4.466 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 17 +ATOM 26487 H HG13 . ILE A 1 56 ? -0.134 3.338 3.685 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 17 +ATOM 26488 H HG21 . ILE A 1 56 ? -3.492 4.912 3.336 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 17 +ATOM 26489 H HG22 . ILE A 1 56 ? -3.095 5.242 5.014 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 17 +ATOM 26490 H HG23 . ILE A 1 56 ? -4.256 3.980 4.622 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 17 +ATOM 26491 H HD11 . ILE A 1 56 ? -1.273 4.026 1.657 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 17 +ATOM 26492 H HD12 . ILE A 1 56 ? -0.092 5.252 2.146 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 17 +ATOM 26493 H HD13 . ILE A 1 56 ? -1.810 5.505 2.442 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 17 +ATOM 26494 N N . LYS A 1 57 ? -3.855 2.928 7.040 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 17 +ATOM 26495 C CA . LYS A 1 57 ? -5.069 2.524 7.656 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 17 +ATOM 26496 C C . LYS A 1 57 ? -6.116 3.607 7.498 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 17 +ATOM 26497 O O . LYS A 1 57 ? -5.896 4.766 7.862 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 17 +ATOM 26498 C CB . LYS A 1 57 ? -4.879 2.123 9.151 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 17 +ATOM 26499 C CG . LYS A 1 57 ? -4.314 3.211 10.065 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 17 +ATOM 26500 C CD . LYS A 1 57 ? -2.822 3.455 9.873 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 17 +ATOM 26501 C CE . LYS A 1 57 ? -2.409 4.695 10.620 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 17 +ATOM 26502 N NZ . LYS A 1 57 ? -0.977 5.027 10.446 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 17 +ATOM 26503 H H . LYS A 1 57 ? -3.484 3.808 7.273 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 17 +ATOM 26504 H HA . LYS A 1 57 ? -5.400 1.657 7.111 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 17 +ATOM 26505 H HB2 . LYS A 1 57 ? -5.837 1.826 9.551 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 17 +ATOM 26506 H HB3 . LYS A 1 57 ? -4.216 1.271 9.193 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 17 +ATOM 26507 H HG2 . LYS A 1 57 ? -4.835 4.133 9.849 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 17 +ATOM 26508 H HG3 . LYS A 1 57 ? -4.503 2.939 11.092 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 17 +ATOM 26509 H HD2 . LYS A 1 57 ? -2.275 2.609 10.265 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 17 +ATOM 26510 H HD3 . LYS A 1 57 ? -2.601 3.576 8.825 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 17 +ATOM 26511 H HE2 . LYS A 1 57 ? -3.014 5.491 10.218 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 17 +ATOM 26512 H HE3 . LYS A 1 57 ? -2.639 4.553 11.665 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 17 +ATOM 26513 H HZ1 . LYS A 1 57 ? -0.363 4.256 10.772 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 17 +ATOM 26514 H HZ2 . LYS A 1 57 ? -0.724 5.860 11.014 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 17 +ATOM 26515 H HZ3 . LYS A 1 57 ? -0.727 5.240 9.459 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 17 +ATOM 26516 N N . LEU A 1 58 ? -7.228 3.239 6.921 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 17 +ATOM 26517 C CA . LEU A 1 58 ? -8.327 4.138 6.726 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 17 +ATOM 26518 C C . LEU A 1 58 ? -9.108 4.164 8.041 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 17 +ATOM 26519 O O . LEU A 1 58 ? -10.005 3.333 8.275 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 17 +ATOM 26520 C CB . LEU A 1 58 ? -9.206 3.642 5.558 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 17 +ATOM 26521 C CG . LEU A 1 58 ? -9.852 4.703 4.646 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 17 +ATOM 26522 C CD1 . LEU A 1 58 ? -10.644 4.032 3.545 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 17 +ATOM 26523 C CD2 . LEU A 1 58 ? -10.739 5.672 5.409 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 17 +ATOM 26524 H H . LEU A 1 58 ? -7.320 2.308 6.613 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 17 +ATOM 26525 H HA . LEU A 1 58 ? -7.935 5.120 6.509 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 17 +ATOM 26526 H HB2 . LEU A 1 58 ? -8.597 3.001 4.938 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 17 +ATOM 26527 H HB3 . LEU A 1 58 ? -9.996 3.039 5.981 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 17 +ATOM 26528 H HG . LEU A 1 58 ? -9.063 5.263 4.165 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 17 +ATOM 26529 H HD11 . LEU A 1 58 ? -11.084 4.781 2.906 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 17 +ATOM 26530 H HD12 . LEU A 1 58 ? -11.428 3.431 3.982 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 17 +ATOM 26531 H HD13 . LEU A 1 58 ? -9.989 3.403 2.962 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 17 +ATOM 26532 H HD21 . LEU A 1 58 ? -11.151 6.379 4.703 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 17 +ATOM 26533 H HD22 . LEU A 1 58 ? -10.153 6.197 6.149 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 17 +ATOM 26534 H HD23 . LEU A 1 58 ? -11.542 5.131 5.888 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 17 +ATOM 26535 N N . ARG A 1 59 ? -8.728 5.105 8.886 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 17 +ATOM 26536 C CA . ARG A 1 59 ? -9.202 5.264 10.278 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 17 +ATOM 26537 C C . ARG A 1 59 ? -10.700 5.550 10.377 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 17 +ATOM 26538 O O . ARG A 1 59 ? -11.263 5.582 11.476 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 17 +ATOM 26539 C CB . ARG A 1 59 ? -8.417 6.409 10.942 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 17 +ATOM 26540 C CG . ARG A 1 59 ? -6.910 6.174 11.027 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 17 +ATOM 26541 C CD . ARG A 1 59 ? -6.540 5.170 12.111 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 17 +ATOM 26542 N NE . ARG A 1 59 ? -6.768 5.726 13.449 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 17 +ATOM 26543 C CZ . ARG A 1 59 ? -6.379 5.179 14.606 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 17 +ATOM 26544 N NH1 . ARG A 1 59 ? -5.767 3.999 14.636 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 17 +ATOM 26545 N NH2 . ARG A 1 59 ? -6.590 5.836 15.739 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 17 +ATOM 26546 H H . ARG A 1 59 ? -8.064 5.744 8.544 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 17 +ATOM 26547 H HA . ARG A 1 59 ? -8.978 4.357 10.817 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 17 +ATOM 26548 H HB2 . ARG A 1 59 ? -8.585 7.316 10.377 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 17 +ATOM 26549 H HB3 . ARG A 1 59 ? -8.793 6.549 11.944 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 17 +ATOM 26550 H HG2 . ARG A 1 59 ? -6.562 5.799 10.075 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 17 +ATOM 26551 H HG3 . ARG A 1 59 ? -6.424 7.116 11.240 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 17 +ATOM 26552 H HD2 . ARG A 1 59 ? -7.142 4.281 11.991 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 17 +ATOM 26553 H HD3 . ARG A 1 59 ? -5.496 4.913 12.013 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 17 +ATOM 26554 H HE . ARG A 1 59 ? -7.217 6.601 13.467 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 17 +ATOM 26555 H HH11 . ARG A 1 59 ? -5.565 3.459 13.815 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 17 +ATOM 26556 H HH12 . ARG A 1 59 ? -5.456 3.598 15.502 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 17 +ATOM 26557 H HH21 . ARG A 1 59 ? -7.035 6.737 15.741 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 17 +ATOM 26558 H HH22 . ARG A 1 59 ? -6.294 5.459 16.621 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 17 +ATOM 26559 N N . SER A 1 60 ? -11.318 5.788 9.266 1.00 0.00 ? ? ? ? ? ? 57 SER A N 17 +ATOM 26560 C CA . SER A 1 60 ? -12.720 6.088 9.223 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 17 +ATOM 26561 C C . SER A 1 60 ? -13.557 4.855 8.822 1.00 0.00 ? ? ? ? ? ? 57 SER A C 17 +ATOM 26562 O O . SER A 1 60 ? -14.776 4.835 9.010 1.00 0.00 ? ? ? ? ? ? 57 SER A O 17 +ATOM 26563 C CB . SER A 1 60 ? -12.919 7.219 8.227 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 17 +ATOM 26564 O OG . SER A 1 60 ? -12.023 8.287 8.516 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 17 +ATOM 26565 H H . SER A 1 60 ? -10.810 5.804 8.430 1.00 0.00 ? ? ? ? ? ? 57 SER A H 17 +ATOM 26566 H HA . SER A 1 60 ? -13.030 6.437 10.197 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 17 +ATOM 26567 H HB2 . SER A 1 60 ? -12.725 6.857 7.228 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 17 +ATOM 26568 H HB3 . SER A 1 60 ? -13.930 7.590 8.293 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 17 +ATOM 26569 H HG . SER A 1 60 ? -12.542 8.947 8.992 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 17 +ATOM 26570 N N . SER A 1 61 ? -12.912 3.812 8.326 1.00 0.00 ? ? ? ? ? ? 58 SER A N 17 +ATOM 26571 C CA . SER A 1 61 ? -13.668 2.689 7.822 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 17 +ATOM 26572 C C . SER A 1 61 ? -13.115 1.330 8.290 1.00 0.00 ? ? ? ? ? ? 58 SER A C 17 +ATOM 26573 O O . SER A 1 61 ? -13.888 0.411 8.576 1.00 0.00 ? ? ? ? ? ? 58 SER A O 17 +ATOM 26574 C CB . SER A 1 61 ? -13.755 2.767 6.286 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 17 +ATOM 26575 O OG . SER A 1 61 ? -14.610 1.768 5.762 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 17 +ATOM 26576 H H . SER A 1 61 ? -11.931 3.798 8.332 1.00 0.00 ? ? ? ? ? ? 58 SER A H 17 +ATOM 26577 H HA . SER A 1 61 ? -14.670 2.788 8.212 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 17 +ATOM 26578 H HB2 . SER A 1 61 ? -14.144 3.734 6.001 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 17 +ATOM 26579 H HB3 . SER A 1 61 ? -12.768 2.641 5.868 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 17 +ATOM 26580 H HG . SER A 1 61 ? -15.231 1.517 6.459 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 17 +ATOM 26581 N N . GLY A 1 62 ? -11.809 1.202 8.405 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 17 +ATOM 26582 C CA . GLY A 1 62 ? -11.251 -0.078 8.786 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 17 +ATOM 26583 C C . GLY A 1 62 ? -10.672 -0.821 7.599 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 17 +ATOM 26584 O O . GLY A 1 62 ? -10.681 -2.067 7.552 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 17 +ATOM 26585 H H . GLY A 1 62 ? -11.209 1.970 8.275 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 17 +ATOM 26586 H HA2 . GLY A 1 62 ? -10.467 0.082 9.512 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 17 +ATOM 26587 H HA3 . GLY A 1 62 ? -12.029 -0.681 9.228 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 17 +ATOM 26588 N N . TYR A 1 63 ? -10.219 -0.069 6.625 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 17 +ATOM 26589 C CA . TYR A 1 63 ? -9.536 -0.614 5.470 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 17 +ATOM 26590 C C . TYR A 1 63 ? -8.066 -0.332 5.601 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 17 +ATOM 26591 O O . TYR A 1 63 ? -7.681 0.683 6.175 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 17 +ATOM 26592 C CB . TYR A 1 63 ? -10.074 -0.045 4.160 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 17 +ATOM 26593 C CG . TYR A 1 63 ? -11.398 -0.629 3.723 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 17 +ATOM 26594 C CD1 . TYR A 1 63 ? -12.600 -0.138 4.203 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 17 +ATOM 26595 C CD2 . TYR A 1 63 ? -11.438 -1.668 2.804 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 17 +ATOM 26596 C CE1 . TYR A 1 63 ? -13.806 -0.664 3.779 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 17 +ATOM 26597 C CE2 . TYR A 1 63 ? -12.635 -2.200 2.380 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 17 +ATOM 26598 C CZ . TYR A 1 63 ? -13.815 -1.692 2.869 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 17 +ATOM 26599 O OH . TYR A 1 63 ? -15.011 -2.220 2.440 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 17 +ATOM 26600 H H . TYR A 1 63 ? -10.322 0.903 6.688 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 17 +ATOM 26601 H HA . TYR A 1 63 ? -9.681 -1.684 5.486 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 17 +ATOM 26602 H HB2 . TYR A 1 63 ? -10.211 1.020 4.271 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 17 +ATOM 26603 H HB3 . TYR A 1 63 ? -9.354 -0.227 3.377 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 17 +ATOM 26604 H HD1 . TYR A 1 63 ? -12.585 0.670 4.919 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 17 +ATOM 26605 H HD2 . TYR A 1 63 ? -10.508 -2.064 2.422 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 17 +ATOM 26606 H HE1 . TYR A 1 63 ? -14.735 -0.267 4.161 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 17 +ATOM 26607 H HE2 . TYR A 1 63 ? -12.645 -3.008 1.664 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 17 +ATOM 26608 H HH . TYR A 1 63 ? -15.638 -1.509 2.247 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 17 +ATOM 26609 N N . ARG A 1 64 ? -7.252 -1.227 5.119 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 17 +ATOM 26610 C CA . ARG A 1 64 ? -5.821 -1.118 5.254 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 17 +ATOM 26611 C C . ARG A 1 64 ? -5.148 -1.440 3.935 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 17 +ATOM 26612 O O . ARG A 1 64 ? -5.643 -2.261 3.161 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 17 +ATOM 26613 C CB . ARG A 1 64 ? -5.359 -2.084 6.337 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 17 +ATOM 26614 C CG . ARG A 1 64 ? -6.018 -1.816 7.676 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 17 +ATOM 26615 C CD . ARG A 1 64 ? -5.833 -2.952 8.627 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 17 +ATOM 26616 N NE . ARG A 1 64 ? -4.433 -3.146 9.016 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 17 +ATOM 26617 C CZ . ARG A 1 64 ? -4.028 -3.697 10.170 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 17 +ATOM 26618 N NH1 . ARG A 1 64 ? -4.906 -4.079 11.093 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 17 +ATOM 26619 N NH2 . ARG A 1 64 ? -2.749 -3.887 10.382 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 17 +ATOM 26620 H H . ARG A 1 64 ? -7.612 -2.002 4.633 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 17 +ATOM 26621 H HA . ARG A 1 64 ? -5.572 -0.112 5.557 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 17 +ATOM 26622 H HB2 . ARG A 1 64 ? -5.597 -3.090 6.028 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 17 +ATOM 26623 H HB3 . ARG A 1 64 ? -4.289 -1.994 6.460 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 17 +ATOM 26624 H HG2 . ARG A 1 64 ? -5.582 -0.928 8.108 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 17 +ATOM 26625 H HG3 . ARG A 1 64 ? -7.075 -1.656 7.513 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 17 +ATOM 26626 H HD2 . ARG A 1 64 ? -6.465 -2.794 9.486 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 17 +ATOM 26627 H HD3 . ARG A 1 64 ? -6.171 -3.827 8.090 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 17 +ATOM 26628 H HE . ARG A 1 64 ? -3.781 -2.858 8.341 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 17 +ATOM 26629 H HH11 . ARG A 1 64 ? -5.904 -3.990 11.010 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 17 +ATOM 26630 H HH12 . ARG A 1 64 ? -4.599 -4.503 11.949 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 17 +ATOM 26631 H HH21 . ARG A 1 64 ? -2.039 -3.654 9.712 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 17 +ATOM 26632 H HH22 . ARG A 1 64 ? -2.432 -4.266 11.257 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 17 +ATOM 26633 N N . LEU A 1 65 ? -4.050 -0.800 3.685 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 17 +ATOM 26634 C CA . LEU A 1 65 ? -3.299 -0.989 2.470 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 17 +ATOM 26635 C C . LEU A 1 65 ? -1.836 -1.200 2.855 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 17 +ATOM 26636 O O . LEU A 1 65 ? -1.316 -0.474 3.699 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 17 +ATOM 26637 C CB . LEU A 1 65 ? -3.515 0.258 1.560 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 17 +ATOM 26638 C CG . LEU A 1 65 ? -2.921 0.252 0.134 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 17 +ATOM 26639 C CD1 . LEU A 1 65 ? -3.585 1.331 -0.702 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 17 +ATOM 26640 C CD2 . LEU A 1 65 ? -1.437 0.518 0.160 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 17 +ATOM 26641 H H . LEU A 1 65 ? -3.707 -0.161 4.349 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 17 +ATOM 26642 H HA . LEU A 1 65 ? -3.670 -1.872 1.973 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 17 +ATOM 26643 H HB2 . LEU A 1 65 ? -4.579 0.415 1.465 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 17 +ATOM 26644 H HB3 . LEU A 1 65 ? -3.111 1.111 2.085 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 17 +ATOM 26645 H HG . LEU A 1 65 ? -3.098 -0.707 -0.329 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 17 +ATOM 26646 H HD11 . LEU A 1 65 ? -4.644 1.136 -0.767 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 17 +ATOM 26647 H HD12 . LEU A 1 65 ? -3.159 1.322 -1.695 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 17 +ATOM 26648 H HD13 . LEU A 1 65 ? -3.421 2.294 -0.241 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 17 +ATOM 26649 H HD21 . LEU A 1 65 ? -1.268 1.477 0.623 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 17 +ATOM 26650 H HD22 . LEU A 1 65 ? -1.057 0.531 -0.851 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 17 +ATOM 26651 H HD23 . LEU A 1 65 ? -0.936 -0.253 0.728 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 17 +ATOM 26652 N N . VAL A 1 66 ? -1.192 -2.202 2.274 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 17 +ATOM 26653 C CA . VAL A 1 66 ? 0.197 -2.510 2.597 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 17 +ATOM 26654 C C . VAL A 1 66 ? 1.052 -2.443 1.332 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 17 +ATOM 26655 O O . VAL A 1 66 ? 0.720 -3.061 0.296 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 17 +ATOM 26656 C CB . VAL A 1 66 ? 0.346 -3.917 3.262 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 17 +ATOM 26657 C CG1 . VAL A 1 66 ? 1.801 -4.203 3.629 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 17 +ATOM 26658 C CG2 . VAL A 1 66 ? -0.538 -4.032 4.501 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 17 +ATOM 26659 H H . VAL A 1 66 ? -1.632 -2.752 1.587 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 17 +ATOM 26660 H HA . VAL A 1 66 ? 0.550 -1.758 3.287 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 17 +ATOM 26661 H HB . VAL A 1 66 ? 0.028 -4.661 2.545 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 17 +ATOM 26662 H HG11 . VAL A 1 66 ? 2.151 -3.449 4.320 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 17 +ATOM 26663 H HG12 . VAL A 1 66 ? 2.410 -4.182 2.739 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 17 +ATOM 26664 H HG13 . VAL A 1 66 ? 1.876 -5.175 4.095 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 17 +ATOM 26665 H HG21 . VAL A 1 66 ? -0.244 -3.280 5.218 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 17 +ATOM 26666 H HG22 . VAL A 1 66 ? -0.422 -5.013 4.938 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 17 +ATOM 26667 H HG23 . VAL A 1 66 ? -1.569 -3.880 4.220 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 17 +ATOM 26668 N N . TYR A 1 67 ? 2.128 -1.707 1.405 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 17 +ATOM 26669 C CA . TYR A 1 67 ? 3.009 -1.524 0.278 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 17 +ATOM 26670 C C . TYR A 1 67 ? 4.451 -1.570 0.715 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 17 +ATOM 26671 O O . TYR A 1 67 ? 4.751 -1.364 1.895 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 17 +ATOM 26672 C CB . TYR A 1 67 ? 2.715 -0.195 -0.451 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 17 +ATOM 26673 C CG . TYR A 1 67 ? 2.821 1.062 0.392 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 17 +ATOM 26674 C CD1 . TYR A 1 67 ? 4.047 1.577 0.791 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 17 +ATOM 26675 C CD2 . TYR A 1 67 ? 1.690 1.735 0.772 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 17 +ATOM 26676 C CE1 . TYR A 1 67 ? 4.123 2.722 1.544 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 17 +ATOM 26677 C CE2 . TYR A 1 67 ? 1.757 2.874 1.520 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 17 +ATOM 26678 C CZ . TYR A 1 67 ? 2.974 3.366 1.905 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 17 +ATOM 26679 O OH . TYR A 1 67 ? 3.040 4.501 2.661 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 17 +ATOM 26680 H H . TYR A 1 67 ? 2.362 -1.278 2.262 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 17 +ATOM 26681 H HA . TYR A 1 67 ? 2.832 -2.336 -0.411 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 17 +ATOM 26682 H HB2 . TYR A 1 67 ? 3.388 -0.083 -1.285 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 17 +ATOM 26683 H HB3 . TYR A 1 67 ? 1.705 -0.242 -0.830 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 17 +ATOM 26684 H HD1 . TYR A 1 67 ? 4.952 1.063 0.501 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 17 +ATOM 26685 H HD2 . TYR A 1 67 ? 0.731 1.345 0.471 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 17 +ATOM 26686 H HE1 . TYR A 1 67 ? 5.084 3.110 1.847 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 17 +ATOM 26687 H HE2 . TYR A 1 67 ? 0.844 3.380 1.792 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 17 +ATOM 26688 H HH . TYR A 1 67 ? 3.717 5.086 2.314 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 17 +ATOM 26689 N N . GLN A 1 68 ? 5.332 -1.843 -0.205 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 17 +ATOM 26690 C CA . GLN A 1 68 ? 6.733 -1.799 0.080 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 17 +ATOM 26691 C C . GLN A 1 68 ? 7.328 -0.606 -0.658 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 17 +ATOM 26692 O O . GLN A 1 68 ? 6.933 -0.306 -1.794 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 17 +ATOM 26693 C CB . GLN A 1 68 ? 7.458 -3.103 -0.312 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 17 +ATOM 26694 C CG . GLN A 1 68 ? 7.593 -3.346 -1.806 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 17 +ATOM 26695 C CD . GLN A 1 68 ? 8.448 -4.552 -2.118 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 17 +ATOM 26696 O OE1 . GLN A 1 68 ? 7.956 -5.668 -2.302 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 17 +ATOM 26697 N NE2 . GLN A 1 68 ? 9.741 -4.350 -2.117 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 17 +ATOM 26698 H H . GLN A 1 68 ? 5.029 -2.050 -1.119 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 17 +ATOM 26699 H HA . GLN A 1 68 ? 6.843 -1.625 1.139 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 17 +ATOM 26700 H HB2 . GLN A 1 68 ? 8.451 -3.084 0.111 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 17 +ATOM 26701 H HB3 . GLN A 1 68 ? 6.919 -3.934 0.121 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 17 +ATOM 26702 H HG2 . GLN A 1 68 ? 6.610 -3.506 -2.220 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 17 +ATOM 26703 H HG3 . GLN A 1 68 ? 8.040 -2.475 -2.263 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 17 +ATOM 26704 H HE21 . GLN A 1 68 ? 10.071 -3.450 -1.913 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 17 +ATOM 26705 H HE22 . GLN A 1 68 ? 10.340 -5.101 -2.305 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 17 +ATOM 26706 N N . VAL A 1 69 ? 8.204 0.101 -0.025 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 17 +ATOM 26707 C CA . VAL A 1 69 ? 8.847 1.218 -0.660 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 17 +ATOM 26708 C C . VAL A 1 69 ? 10.235 0.818 -1.060 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 17 +ATOM 26709 O O . VAL A 1 69 ? 11.085 0.556 -0.214 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 17 +ATOM 26710 C CB . VAL A 1 69 ? 8.906 2.478 0.253 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 17 +ATOM 26711 C CG1 . VAL A 1 69 ? 9.650 3.626 -0.430 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 17 +ATOM 26712 C CG2 . VAL A 1 69 ? 7.512 2.921 0.627 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 17 +ATOM 26713 H H . VAL A 1 69 ? 8.454 -0.126 0.901 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 17 +ATOM 26714 H HA . VAL A 1 69 ? 8.288 1.458 -1.553 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 17 +ATOM 26715 H HB . VAL A 1 69 ? 9.437 2.221 1.157 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 17 +ATOM 26716 H HG11 . VAL A 1 69 ? 9.656 4.488 0.220 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 17 +ATOM 26717 H HG12 . VAL A 1 69 ? 9.160 3.874 -1.360 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 17 +ATOM 26718 H HG13 . VAL A 1 69 ? 10.666 3.321 -0.633 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 17 +ATOM 26719 H HG21 . VAL A 1 69 ? 7.566 3.796 1.257 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 17 +ATOM 26720 H HG22 . VAL A 1 69 ? 7.021 2.122 1.162 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 17 +ATOM 26721 H HG23 . VAL A 1 69 ? 6.948 3.148 -0.264 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 17 +ATOM 26722 N N . ILE A 1 70 ? 10.464 0.735 -2.327 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 17 +ATOM 26723 C CA . ILE A 1 70 ? 11.761 0.425 -2.811 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 17 +ATOM 26724 C C . ILE A 1 70 ? 12.411 1.752 -3.096 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 17 +ATOM 26725 O O . ILE A 1 70 ? 12.222 2.335 -4.174 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 17 +ATOM 26726 C CB . ILE A 1 70 ? 11.702 -0.413 -4.113 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 17 +ATOM 26727 C CG1 . ILE A 1 70 ? 10.753 -1.608 -3.930 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 17 +ATOM 26728 C CG2 . ILE A 1 70 ? 13.104 -0.909 -4.468 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 17 +ATOM 26729 C CD1 . ILE A 1 70 ? 10.491 -2.399 -5.197 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 17 +ATOM 26730 H H . ILE A 1 70 ? 9.746 0.932 -2.973 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 17 +ATOM 26731 H HA . ILE A 1 70 ? 12.307 -0.107 -2.047 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 17 +ATOM 26732 H HB . ILE A 1 70 ? 11.338 0.211 -4.915 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 17 +ATOM 26733 H HG12 . ILE A 1 70 ? 11.175 -2.286 -3.202 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 17 +ATOM 26734 H HG13 . ILE A 1 70 ? 9.804 -1.244 -3.561 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 17 +ATOM 26735 H HG21 . ILE A 1 70 ? 13.066 -1.469 -5.390 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 17 +ATOM 26736 H HG22 . ILE A 1 70 ? 13.460 -1.557 -3.681 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 17 +ATOM 26737 H HG23 . ILE A 1 70 ? 13.772 -0.068 -4.580 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 17 +ATOM 26738 H HD11 . ILE A 1 70 ? 10.012 -1.760 -5.923 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 17 +ATOM 26739 H HD12 . ILE A 1 70 ? 9.853 -3.242 -4.976 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 17 +ATOM 26740 H HD13 . ILE A 1 70 ? 11.430 -2.750 -5.596 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 17 +ATOM 26741 N N . ASP A 1 71 ? 13.155 2.243 -2.136 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 17 +ATOM 26742 C CA . ASP A 1 71 ? 13.740 3.580 -2.232 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 17 +ATOM 26743 C C . ASP A 1 71 ? 14.811 3.600 -3.284 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 17 +ATOM 26744 O O . ASP A 1 71 ? 14.957 4.564 -4.020 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 17 +ATOM 26745 C CB . ASP A 1 71 ? 14.309 4.023 -0.894 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 17 +ATOM 26746 C CG . ASP A 1 71 ? 14.760 5.464 -0.920 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 17 +ATOM 26747 O OD1 . ASP A 1 71 ? 15.900 5.747 -1.299 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 17 +ATOM 26748 O OD2 . ASP A 1 71 ? 13.968 6.344 -0.539 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 17 +ATOM 26749 H H . ASP A 1 71 ? 13.310 1.700 -1.331 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 17 +ATOM 26750 H HA . ASP A 1 71 ? 12.954 4.261 -2.524 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 17 +ATOM 26751 H HB2 . ASP A 1 71 ? 13.551 3.915 -0.132 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 17 +ATOM 26752 H HB3 . ASP A 1 71 ? 15.156 3.401 -0.644 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 17 +ATOM 26753 N N . GLU A 1 72 ? 15.493 2.479 -3.388 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 17 +ATOM 26754 C CA . GLU A 1 72 ? 16.565 2.270 -4.341 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 17 +ATOM 26755 C C . GLU A 1 72 ? 16.074 2.477 -5.781 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 17 +ATOM 26756 O O . GLU A 1 72 ? 16.796 3.004 -6.621 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 17 +ATOM 26757 C CB . GLU A 1 72 ? 17.111 0.861 -4.151 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 17 +ATOM 26758 C CG . GLU A 1 72 ? 17.634 0.624 -2.744 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 17 +ATOM 26759 C CD . GLU A 1 72 ? 18.025 -0.802 -2.479 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 17 +ATOM 26760 O OE1 . GLU A 1 72 ? 19.140 -1.215 -2.855 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 17 +ATOM 26761 O OE2 . GLU A 1 72 ? 17.225 -1.541 -1.880 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 17 +ATOM 26762 H H . GLU A 1 72 ? 15.269 1.763 -2.760 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 17 +ATOM 26763 H HA . GLU A 1 72 ? 17.353 2.978 -4.130 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 17 +ATOM 26764 H HB2 . GLU A 1 72 ? 16.325 0.148 -4.352 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 17 +ATOM 26765 H HB3 . GLU A 1 72 ? 17.921 0.704 -4.846 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 17 +ATOM 26766 H HG2 . GLU A 1 72 ? 18.501 1.247 -2.588 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 17 +ATOM 26767 H HG3 . GLU A 1 72 ? 16.866 0.907 -2.040 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 17 +ATOM 26768 N N . LYS A 1 73 ? 14.833 2.090 -6.044 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 17 +ATOM 26769 C CA . LYS A 1 73 ? 14.237 2.245 -7.375 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 17 +ATOM 26770 C C . LYS A 1 73 ? 13.263 3.421 -7.385 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 17 +ATOM 26771 O O . LYS A 1 73 ? 12.649 3.717 -8.416 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 17 +ATOM 26772 C CB . LYS A 1 73 ? 13.486 0.978 -7.775 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 17 +ATOM 26773 C CG . LYS A 1 73 ? 14.335 -0.271 -7.897 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 17 +ATOM 26774 C CD . LYS A 1 73 ? 13.450 -1.466 -8.204 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 17 +ATOM 26775 C CE . LYS A 1 73 ? 14.240 -2.754 -8.272 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 17 +ATOM 26776 N NZ . LYS A 1 73 ? 13.360 -3.913 -8.463 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 17 +ATOM 26777 H H . LYS A 1 73 ? 14.293 1.705 -5.323 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 17 +ATOM 26778 H HA . LYS A 1 73 ? 15.030 2.428 -8.085 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 17 +ATOM 26779 H HB2 . LYS A 1 73 ? 12.745 0.779 -7.016 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 17 +ATOM 26780 H HB3 . LYS A 1 73 ? 12.988 1.148 -8.718 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 17 +ATOM 26781 H HG2 . LYS A 1 73 ? 15.049 -0.136 -8.696 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 17 +ATOM 26782 H HG3 . LYS A 1 73 ? 14.854 -0.443 -6.965 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 17 +ATOM 26783 H HD2 . LYS A 1 73 ? 12.695 -1.559 -7.439 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 17 +ATOM 26784 H HD3 . LYS A 1 73 ? 12.970 -1.298 -9.157 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 17 +ATOM 26785 H HE2 . LYS A 1 73 ? 14.928 -2.698 -9.102 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 17 +ATOM 26786 H HE3 . LYS A 1 73 ? 14.796 -2.878 -7.354 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 17 +ATOM 26787 H HZ1 . LYS A 1 73 ? 13.909 -4.791 -8.525 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 17 +ATOM 26788 H HZ2 . LYS A 1 73 ? 12.778 -3.832 -9.319 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 17 +ATOM 26789 H HZ3 . LYS A 1 73 ? 12.698 -4.023 -7.666 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 17 +ATOM 26790 N N . VAL A 1 74 ? 13.125 4.051 -6.210 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 17 +ATOM 26791 C CA . VAL A 1 74 ? 12.237 5.200 -5.929 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 17 +ATOM 26792 C C . VAL A 1 74 ? 10.766 4.898 -6.311 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 17 +ATOM 26793 O O . VAL A 1 74 ? 10.011 5.752 -6.777 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 17 +ATOM 26794 C CB . VAL A 1 74 ? 12.794 6.597 -6.478 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 17 +ATOM 26795 C CG1 . VAL A 1 74 ? 12.802 6.735 -7.993 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 17 +ATOM 26796 C CG2 . VAL A 1 74 ? 12.109 7.791 -5.818 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 17 +ATOM 26797 H H . VAL A 1 74 ? 13.650 3.720 -5.452 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 17 +ATOM 26798 H HA . VAL A 1 74 ? 12.222 5.238 -4.847 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 17 +ATOM 26799 H HB . VAL A 1 74 ? 13.832 6.628 -6.184 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 17 +ATOM 26800 H HG11 . VAL A 1 74 ? 11.792 6.653 -8.366 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 17 +ATOM 26801 H HG12 . VAL A 1 74 ? 13.406 5.947 -8.419 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 17 +ATOM 26802 H HG13 . VAL A 1 74 ? 13.213 7.697 -8.265 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 17 +ATOM 26803 H HG21 . VAL A 1 74 ? 11.051 7.744 -6.021 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 17 +ATOM 26804 H HG22 . VAL A 1 74 ? 12.515 8.709 -6.216 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 17 +ATOM 26805 H HG23 . VAL A 1 74 ? 12.271 7.759 -4.750 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 17 +ATOM 26806 N N . VAL A 1 75 ? 10.350 3.683 -6.017 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 17 +ATOM 26807 C CA . VAL A 1 75 ? 9.006 3.247 -6.323 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 17 +ATOM 26808 C C . VAL A 1 75 ? 8.336 2.641 -5.087 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 17 +ATOM 26809 O O . VAL A 1 75 ? 8.963 1.926 -4.295 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 17 +ATOM 26810 C CB . VAL A 1 75 ? 8.979 2.234 -7.535 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 17 +ATOM 26811 C CG1 . VAL A 1 75 ? 9.814 0.998 -7.253 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 17 +ATOM 26812 C CG2 . VAL A 1 75 ? 7.552 1.827 -7.909 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 17 +ATOM 26813 H H . VAL A 1 75 ? 10.956 3.070 -5.545 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 17 +ATOM 26814 H HA . VAL A 1 75 ? 8.435 4.123 -6.601 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 17 +ATOM 26815 H HB . VAL A 1 75 ? 9.422 2.733 -8.384 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 17 +ATOM 26816 H HG11 . VAL A 1 75 ? 9.417 0.487 -6.388 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 17 +ATOM 26817 H HG12 . VAL A 1 75 ? 10.830 1.299 -7.053 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 17 +ATOM 26818 H HG13 . VAL A 1 75 ? 9.785 0.338 -8.108 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 17 +ATOM 26819 H HG21 . VAL A 1 75 ? 6.976 2.701 -8.176 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 17 +ATOM 26820 H HG22 . VAL A 1 75 ? 7.084 1.337 -7.068 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 17 +ATOM 26821 H HG23 . VAL A 1 75 ? 7.581 1.146 -8.747 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 17 +ATOM 26822 N N . VAL A 1 76 ? 7.098 2.977 -4.917 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 17 +ATOM 26823 C CA . VAL A 1 76 ? 6.261 2.466 -3.884 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 17 +ATOM 26824 C C . VAL A 1 76 ? 5.363 1.425 -4.527 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 17 +ATOM 26825 O O . VAL A 1 76 ? 4.556 1.746 -5.410 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 17 +ATOM 26826 C CB . VAL A 1 76 ? 5.402 3.600 -3.271 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 17 +ATOM 26827 C CG1 . VAL A 1 76 ? 4.484 3.072 -2.193 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 17 +ATOM 26828 C CG2 . VAL A 1 76 ? 6.281 4.713 -2.723 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 17 +ATOM 26829 H H . VAL A 1 76 ? 6.686 3.616 -5.536 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 17 +ATOM 26830 H HA . VAL A 1 76 ? 6.874 2.013 -3.118 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 17 +ATOM 26831 H HB . VAL A 1 76 ? 4.795 4.013 -4.062 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 17 +ATOM 26832 H HG11 . VAL A 1 76 ? 3.913 3.888 -1.774 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 17 +ATOM 26833 H HG12 . VAL A 1 76 ? 5.067 2.606 -1.412 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 17 +ATOM 26834 H HG13 . VAL A 1 76 ? 3.808 2.347 -2.619 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 17 +ATOM 26835 H HG21 . VAL A 1 76 ? 6.854 5.147 -3.530 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 17 +ATOM 26836 H HG22 . VAL A 1 76 ? 6.960 4.309 -1.990 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 17 +ATOM 26837 H HG23 . VAL A 1 76 ? 5.662 5.474 -2.271 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 17 +ATOM 26838 N N . PHE A 1 77 ? 5.518 0.208 -4.122 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 17 +ATOM 26839 C CA . PHE A 1 77 ? 4.820 -0.886 -4.730 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 17 +ATOM 26840 C C . PHE A 1 77 ? 3.775 -1.442 -3.775 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 17 +ATOM 26841 O O . PHE A 1 77 ? 4.119 -2.004 -2.726 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 17 +ATOM 26842 C CB . PHE A 1 77 ? 5.837 -1.967 -5.126 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 17 +ATOM 26843 C CG . PHE A 1 77 ? 5.257 -3.149 -5.839 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 17 +ATOM 26844 C CD1 . PHE A 1 77 ? 5.110 -3.137 -7.211 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 17 +ATOM 26845 C CD2 . PHE A 1 77 ? 4.873 -4.276 -5.139 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 17 +ATOM 26846 C CE1 . PHE A 1 77 ? 4.587 -4.228 -7.872 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 17 +ATOM 26847 C CE2 . PHE A 1 77 ? 4.349 -5.363 -5.787 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 17 +ATOM 26848 C CZ . PHE A 1 77 ? 4.204 -5.344 -7.159 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 17 +ATOM 26849 H H . PHE A 1 77 ? 6.111 0.022 -3.359 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 17 +ATOM 26850 H HA . PHE A 1 77 ? 4.335 -0.527 -5.626 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 17 +ATOM 26851 H HB2 . PHE A 1 77 ? 6.580 -1.528 -5.774 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 17 +ATOM 26852 H HB3 . PHE A 1 77 ? 6.328 -2.321 -4.232 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 17 +ATOM 26853 H HD1 . PHE A 1 77 ? 5.408 -2.262 -7.769 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 17 +ATOM 26854 H HD2 . PHE A 1 77 ? 4.987 -4.293 -4.065 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 17 +ATOM 26855 H HE1 . PHE A 1 77 ? 4.479 -4.204 -8.946 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 17 +ATOM 26856 H HE2 . PHE A 1 77 ? 4.053 -6.228 -5.215 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 17 +ATOM 26857 H HZ . PHE A 1 77 ? 3.795 -6.201 -7.672 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 17 +ATOM 26858 N N . VAL A 1 78 ? 2.518 -1.264 -4.115 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 17 +ATOM 26859 C CA . VAL A 1 78 ? 1.424 -1.778 -3.317 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 17 +ATOM 26860 C C . VAL A 1 78 ? 1.290 -3.268 -3.565 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 17 +ATOM 26861 O O . VAL A 1 78 ? 1.085 -3.703 -4.705 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 17 +ATOM 26862 C CB . VAL A 1 78 ? 0.084 -1.059 -3.641 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 17 +ATOM 26863 C CG1 . VAL A 1 78 ? -1.061 -1.616 -2.800 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 17 +ATOM 26864 C CG2 . VAL A 1 78 ? 0.217 0.448 -3.434 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 17 +ATOM 26865 H H . VAL A 1 78 ? 2.318 -0.777 -4.947 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 17 +ATOM 26866 H HA . VAL A 1 78 ? 1.668 -1.627 -2.277 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 17 +ATOM 26867 H HB . VAL A 1 78 ? -0.153 -1.238 -4.678 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 17 +ATOM 26868 H HG11 . VAL A 1 78 ? -1.189 -2.665 -3.019 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 17 +ATOM 26869 H HG12 . VAL A 1 78 ? -1.974 -1.085 -3.027 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 17 +ATOM 26870 H HG13 . VAL A 1 78 ? -0.827 -1.496 -1.752 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 17 +ATOM 26871 H HG21 . VAL A 1 78 ? 0.985 0.832 -4.092 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 17 +ATOM 26872 H HG22 . VAL A 1 78 ? 0.490 0.652 -2.410 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 17 +ATOM 26873 H HG23 . VAL A 1 78 ? -0.723 0.928 -3.660 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 17 +ATOM 26874 N N . ILE A 1 79 ? 1.404 -4.041 -2.510 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 17 +ATOM 26875 C CA . ILE A 1 79 ? 1.376 -5.483 -2.629 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 17 +ATOM 26876 C C . ILE A 1 79 ? -0.038 -5.998 -2.417 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 17 +ATOM 26877 O O . ILE A 1 79 ? -0.509 -6.879 -3.136 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 17 +ATOM 26878 C CB . ILE A 1 79 ? 2.320 -6.149 -1.581 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 17 +ATOM 26879 C CG1 . ILE A 1 79 ? 3.728 -5.536 -1.664 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 17 +ATOM 26880 C CG2 . ILE A 1 79 ? 2.391 -7.674 -1.803 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 17 +ATOM 26881 C CD1 . ILE A 1 79 ? 4.684 -6.040 -0.604 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 17 +ATOM 26882 H H . ILE A 1 79 ? 1.501 -3.632 -1.622 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 17 +ATOM 26883 H HA . ILE A 1 79 ? 1.716 -5.754 -3.619 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 17 +ATOM 26884 H HB . ILE A 1 79 ? 1.914 -5.966 -0.596 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 17 +ATOM 26885 H HG12 . ILE A 1 79 ? 4.156 -5.772 -2.627 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 17 +ATOM 26886 H HG13 . ILE A 1 79 ? 3.652 -4.463 -1.565 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 17 +ATOM 26887 H HG21 . ILE A 1 79 ? 1.405 -8.102 -1.707 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 17 +ATOM 26888 H HG22 . ILE A 1 79 ? 3.046 -8.120 -1.070 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 17 +ATOM 26889 H HG23 . ILE A 1 79 ? 2.778 -7.881 -2.789 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 17 +ATOM 26890 H HD11 . ILE A 1 79 ? 4.798 -7.109 -0.705 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 17 +ATOM 26891 H HD12 . ILE A 1 79 ? 4.275 -5.819 0.371 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 17 +ATOM 26892 H HD13 . ILE A 1 79 ? 5.643 -5.558 -0.720 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 17 +ATOM 26893 N N . SER A 1 80 ? -0.719 -5.448 -1.439 1.00 0.00 ? ? ? ? ? ? 77 SER A N 17 +ATOM 26894 C CA . SER A 1 80 ? -2.049 -5.890 -1.097 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 17 +ATOM 26895 C C . SER A 1 80 ? -2.849 -4.732 -0.503 1.00 0.00 ? ? ? ? ? ? 77 SER A C 17 +ATOM 26896 O O . SER A 1 80 ? -2.277 -3.835 0.144 1.00 0.00 ? ? ? ? ? ? 77 SER A O 17 +ATOM 26897 C CB . SER A 1 80 ? -1.947 -7.061 -0.109 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 17 +ATOM 26898 O OG . SER A 1 80 ? -1.237 -8.144 -0.687 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 17 +ATOM 26899 H H . SER A 1 80 ? -0.345 -4.711 -0.909 1.00 0.00 ? ? ? ? ? ? 77 SER A H 17 +ATOM 26900 H HA . SER A 1 80 ? -2.534 -6.235 -1.998 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 17 +ATOM 26901 H HB2 . SER A 1 80 ? -1.397 -6.740 0.765 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 17 +ATOM 26902 H HB3 . SER A 1 80 ? -2.934 -7.398 0.169 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 17 +ATOM 26903 H HG . SER A 1 80 ? -0.989 -7.873 -1.581 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 17 +ATOM 26904 N N . VAL A 1 81 ? -4.148 -4.730 -0.732 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 17 +ATOM 26905 C CA . VAL A 1 81 ? -5.007 -3.663 -0.259 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 17 +ATOM 26906 C C . VAL A 1 81 ? -6.381 -4.216 0.111 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 17 +ATOM 26907 O O . VAL A 1 81 ? -6.866 -5.142 -0.522 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 17 +ATOM 26908 C CB . VAL A 1 81 ? -5.145 -2.527 -1.336 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 17 +ATOM 26909 C CG1 . VAL A 1 81 ? -5.680 -3.061 -2.652 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 17 +ATOM 26910 C CG2 . VAL A 1 81 ? -6.022 -1.387 -0.840 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 17 +ATOM 26911 H H . VAL A 1 81 ? -4.575 -5.466 -1.227 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 17 +ATOM 26912 H HA . VAL A 1 81 ? -4.553 -3.244 0.627 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 17 +ATOM 26913 H HB . VAL A 1 81 ? -4.156 -2.137 -1.527 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 17 +ATOM 26914 H HG11 . VAL A 1 81 ? -6.655 -3.497 -2.489 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 17 +ATOM 26915 H HG12 . VAL A 1 81 ? -5.006 -3.816 -3.028 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 17 +ATOM 26916 H HG13 . VAL A 1 81 ? -5.757 -2.255 -3.367 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 17 +ATOM 26917 H HG21 . VAL A 1 81 ? -6.084 -0.623 -1.601 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 17 +ATOM 26918 H HG22 . VAL A 1 81 ? -5.594 -0.969 0.059 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 17 +ATOM 26919 H HG23 . VAL A 1 81 ? -7.011 -1.763 -0.625 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 17 +ATOM 26920 N N . GLY A 1 82 ? -6.958 -3.711 1.175 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 17 +ATOM 26921 C CA . GLY A 1 82 ? -8.284 -4.094 1.528 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 17 +ATOM 26922 C C . GLY A 1 82 ? -8.441 -4.118 3.001 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 17 +ATOM 26923 O O . GLY A 1 82 ? -8.627 -3.086 3.632 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 17 +ATOM 26924 H H . GLY A 1 82 ? -6.480 -3.094 1.779 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 17 +ATOM 26925 H HA2 . GLY A 1 82 ? -8.980 -3.388 1.103 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 17 +ATOM 26926 H HA3 . GLY A 1 82 ? -8.488 -5.078 1.134 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 17 +ATOM 26927 N N . LYS A 1 83 ? -8.326 -5.263 3.560 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 17 +ATOM 26928 C CA . LYS A 1 83 ? -8.446 -5.441 4.972 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 17 +ATOM 26929 C C . LYS A 1 83 ? -7.392 -6.379 5.448 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 17 +ATOM 26930 O O . LYS A 1 83 ? -7.028 -7.313 4.739 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 17 +ATOM 26931 C CB . LYS A 1 83 ? -9.836 -5.971 5.344 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 17 +ATOM 26932 C CG . LYS A 1 83 ? -10.932 -4.920 5.325 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 17 +ATOM 26933 C CD . LYS A 1 83 ? -12.283 -5.530 5.616 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 17 +ATOM 26934 C CE . LYS A 1 83 ? -13.319 -4.466 5.915 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 17 +ATOM 26935 N NZ . LYS A 1 83 ? -13.035 -3.761 7.194 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 17 +ATOM 26936 H H . LYS A 1 83 ? -8.127 -6.056 3.014 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 17 +ATOM 26937 H HA . LYS A 1 83 ? -8.306 -4.479 5.442 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 17 +ATOM 26938 H HB2 . LYS A 1 83 ? -10.105 -6.746 4.642 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 17 +ATOM 26939 H HB3 . LYS A 1 83 ? -9.789 -6.401 6.333 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 17 +ATOM 26940 H HG2 . LYS A 1 83 ? -10.717 -4.170 6.073 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 17 +ATOM 26941 H HG3 . LYS A 1 83 ? -10.950 -4.460 4.348 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 17 +ATOM 26942 H HD2 . LYS A 1 83 ? -12.603 -6.095 4.753 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 17 +ATOM 26943 H HD3 . LYS A 1 83 ? -12.202 -6.191 6.466 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 17 +ATOM 26944 H HE2 . LYS A 1 83 ? -13.320 -3.748 5.109 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 17 +ATOM 26945 H HE3 . LYS A 1 83 ? -14.287 -4.937 5.979 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 17 +ATOM 26946 H HZ1 . LYS A 1 83 ? -12.103 -3.298 7.204 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 17 +ATOM 26947 H HZ2 . LYS A 1 83 ? -13.074 -4.435 7.986 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 17 +ATOM 26948 H HZ3 . LYS A 1 83 ? -13.764 -3.041 7.371 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 17 +ATOM 26949 N N . ALA A 1 84 ? -6.878 -6.138 6.617 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 17 +ATOM 26950 C CA . ALA A 1 84 ? -5.921 -7.032 7.189 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 17 +ATOM 26951 C C . ALA A 1 84 ? -6.659 -7.968 8.091 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 17 +ATOM 26952 O O . ALA A 1 84 ? -6.727 -7.777 9.312 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 17 +ATOM 26953 C CB . ALA A 1 84 ? -4.814 -6.302 7.920 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 17 +ATOM 26954 H H . ALA A 1 84 ? -7.194 -5.362 7.127 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 17 +ATOM 26955 H HA . ALA A 1 84 ? -5.499 -7.602 6.375 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 17 +ATOM 26956 H HB1 . ALA A 1 84 ? -5.234 -5.749 8.747 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 17 +ATOM 26957 H HB2 . ALA A 1 84 ? -4.335 -5.613 7.240 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 17 +ATOM 26958 H HB3 . ALA A 1 84 ? -4.091 -7.015 8.290 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 17 +ATOM 26959 N N . GLU A 1 85 ? -7.291 -8.917 7.480 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 17 +ATOM 26960 C CA . GLU A 1 85 ? -8.108 -9.825 8.172 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 17 +ATOM 26961 C C . GLU A 1 85 ? -7.307 -11.074 8.427 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 17 +ATOM 26962 O O . GLU A 1 85 ? -7.004 -11.841 7.491 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 17 +ATOM 26963 C CB . GLU A 1 85 ? -9.368 -10.109 7.362 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 17 +ATOM 26964 C CG . GLU A 1 85 ? -10.520 -10.574 8.213 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 17 +ATOM 26965 C CD . GLU A 1 85 ? -10.844 -9.553 9.276 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 17 +ATOM 26966 O OE1 . GLU A 1 85 ? -11.599 -8.594 8.998 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 17 +ATOM 26967 O OE2 . GLU A 1 85 ? -10.334 -9.683 10.412 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 17 +ATOM 26968 H H . GLU A 1 85 ? -7.184 -9.027 6.512 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 17 +ATOM 26969 H HA . GLU A 1 85 ? -8.385 -9.383 9.118 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 17 +ATOM 26970 H HB2 . GLU A 1 85 ? -9.663 -9.202 6.855 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 17 +ATOM 26971 H HB3 . GLU A 1 85 ? -9.151 -10.872 6.630 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 17 +ATOM 26972 H HG2 . GLU A 1 85 ? -11.387 -10.718 7.585 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 17 +ATOM 26973 H HG3 . GLU A 1 85 ? -10.252 -11.502 8.694 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 17 +ATOM 26974 N N . ALA A 1 86 ? -6.922 -11.230 9.677 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 17 +ATOM 26975 C CA . ALA A 1 86 ? -6.066 -12.295 10.155 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 17 +ATOM 26976 C C . ALA A 1 86 ? -4.619 -12.083 9.706 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 17 +ATOM 26977 O O . ALA A 1 86 ? -3.846 -11.442 10.420 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 17 +ATOM 26978 C CB . ALA A 1 86 ? -6.596 -13.705 9.840 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 17 +ATOM 26979 H H . ALA A 1 86 ? -7.227 -10.567 10.332 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 17 +ATOM 26980 H HA . ALA A 1 86 ? -6.051 -12.167 11.229 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 17 +ATOM 26981 H HB1 . ALA A 1 86 ? -6.599 -13.853 8.772 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 17 +ATOM 26982 H HB2 . ALA A 1 86 ? -7.601 -13.806 10.221 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 17 +ATOM 26983 H HB3 . ALA A 1 86 ? -5.956 -14.440 10.305 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 17 +ATOM 26984 N N . SER A 1 87 ? -4.234 -12.561 8.530 1.00 0.00 ? ? ? ? ? ? 84 SER A N 17 +ATOM 26985 C CA . SER A 1 87 ? -2.843 -12.392 8.105 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 17 +ATOM 26986 C C . SER A 1 87 ? -2.645 -12.369 6.577 1.00 0.00 ? ? ? ? ? ? 84 SER A C 17 +ATOM 26987 O O . SER A 1 87 ? -1.510 -12.280 6.138 1.00 0.00 ? ? ? ? ? ? 84 SER A O 17 +ATOM 26988 C CB . SER A 1 87 ? -1.969 -13.519 8.698 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 17 +ATOM 26989 O OG . SER A 1 87 ? -2.045 -13.557 10.129 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 17 +ATOM 26990 H H . SER A 1 87 ? -4.875 -13.043 7.963 1.00 0.00 ? ? ? ? ? ? 84 SER A H 17 +ATOM 26991 H HA . SER A 1 87 ? -2.484 -11.462 8.517 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 17 +ATOM 26992 H HB2 . SER A 1 87 ? -2.304 -14.469 8.308 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 17 +ATOM 26993 H HB3 . SER A 1 87 ? -0.941 -13.360 8.408 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 17 +ATOM 26994 H HG . SER A 1 87 ? -2.577 -12.797 10.406 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 17 +ATOM 26995 N N . GLU A 1 88 ? -3.722 -12.352 5.776 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 17 +ATOM 26996 C CA . GLU A 1 88 ? -3.569 -12.525 4.309 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 17 +ATOM 26997 C C . GLU A 1 88 ? -2.653 -11.477 3.665 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 17 +ATOM 26998 O O . GLU A 1 88 ? -1.715 -11.841 2.971 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 17 +ATOM 26999 C CB . GLU A 1 88 ? -4.922 -12.578 3.585 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 17 +ATOM 27000 C CG . GLU A 1 88 ? -4.811 -12.850 2.086 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 17 +ATOM 27001 C CD . GLU A 1 88 ? -6.143 -12.835 1.386 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 17 +ATOM 27002 O OE1 . GLU A 1 88 ? -6.879 -13.850 1.449 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 17 +ATOM 27003 O OE2 . GLU A 1 88 ? -6.486 -11.811 0.745 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 17 +ATOM 27004 H H . GLU A 1 88 ? -4.620 -12.230 6.149 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 17 +ATOM 27005 H HA . GLU A 1 88 ? -3.079 -13.479 4.177 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 17 +ATOM 27006 H HB2 . GLU A 1 88 ? -5.519 -13.362 4.025 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 17 +ATOM 27007 H HB3 . GLU A 1 88 ? -5.436 -11.639 3.715 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 17 +ATOM 27008 H HG2 . GLU A 1 88 ? -4.185 -12.092 1.641 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 17 +ATOM 27009 H HG3 . GLU A 1 88 ? -4.354 -13.818 1.941 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 17 +ATOM 27010 N N . VAL A 1 89 ? -2.887 -10.202 3.940 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 17 +ATOM 27011 C CA . VAL A 1 89 ? -2.067 -9.131 3.343 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 17 +ATOM 27012 C C . VAL A 1 89 ? -0.587 -9.210 3.769 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 17 +ATOM 27013 O O . VAL A 1 89 ? 0.306 -8.848 3.009 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 17 +ATOM 27014 C CB . VAL A 1 89 ? -2.622 -7.700 3.629 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 17 +ATOM 27015 C CG1 . VAL A 1 89 ? -3.982 -7.500 2.980 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 17 +ATOM 27016 C CG2 . VAL A 1 89 ? -2.702 -7.421 5.125 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 17 +ATOM 27017 H H . VAL A 1 89 ? -3.635 -9.976 4.533 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 17 +ATOM 27018 H HA . VAL A 1 89 ? -2.096 -9.298 2.276 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 17 +ATOM 27019 H HB . VAL A 1 89 ? -1.939 -6.989 3.185 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 17 +ATOM 27020 H HG11 . VAL A 1 89 ? -3.896 -7.610 1.909 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 17 +ATOM 27021 H HG12 . VAL A 1 89 ? -4.358 -6.514 3.212 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 17 +ATOM 27022 H HG13 . VAL A 1 89 ? -4.671 -8.240 3.355 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 17 +ATOM 27023 H HG21 . VAL A 1 89 ? -3.105 -6.432 5.286 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 17 +ATOM 27024 H HG22 . VAL A 1 89 ? -1.713 -7.480 5.555 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 17 +ATOM 27025 H HG23 . VAL A 1 89 ? -3.342 -8.153 5.596 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 17 +ATOM 27026 N N . TYR A 1 90 ? -0.335 -9.718 4.961 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 17 +ATOM 27027 C CA . TYR A 1 90 ? 1.021 -9.791 5.456 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 17 +ATOM 27028 C C . TYR A 1 90 ? 1.707 -11.041 4.992 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 17 +ATOM 27029 O O . TYR A 1 90 ? 2.848 -10.994 4.557 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 17 +ATOM 27030 C CB . TYR A 1 90 ? 1.087 -9.663 6.973 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 17 +ATOM 27031 C CG . TYR A 1 90 ? 0.623 -8.324 7.477 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 17 +ATOM 27032 C CD1 . TYR A 1 90 ? 1.232 -7.160 7.033 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 17 +ATOM 27033 C CD2 . TYR A 1 90 ? -0.406 -8.215 8.400 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 17 +ATOM 27034 C CE1 . TYR A 1 90 ? 0.832 -5.931 7.487 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 17 +ATOM 27035 C CE2 . TYR A 1 90 ? -0.815 -6.978 8.859 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 17 +ATOM 27036 C CZ . TYR A 1 90 ? -0.187 -5.840 8.393 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 17 +ATOM 27037 O OH . TYR A 1 90 ? -0.568 -4.609 8.861 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 17 +ATOM 27038 H H . TYR A 1 90 ? -1.077 -10.072 5.493 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 17 +ATOM 27039 H HA . TYR A 1 90 ? 1.547 -8.952 5.022 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 17 +ATOM 27040 H HB2 . TYR A 1 90 ? 0.472 -10.428 7.423 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 17 +ATOM 27041 H HB3 . TYR A 1 90 ? 2.109 -9.804 7.293 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 17 +ATOM 27042 H HD1 . TYR A 1 90 ? 2.033 -7.230 6.314 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 17 +ATOM 27043 H HD2 . TYR A 1 90 ? -0.890 -9.110 8.759 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 17 +ATOM 27044 H HE1 . TYR A 1 90 ? 1.322 -5.038 7.126 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 17 +ATOM 27045 H HE2 . TYR A 1 90 ? -1.620 -6.904 9.575 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 17 +ATOM 27046 H HH . TYR A 1 90 ? -0.453 -4.692 9.816 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 17 +ATOM 27047 N N . SER A 1 91 ? 1.006 -12.149 5.056 1.00 0.00 ? ? ? ? ? ? 88 SER A N 17 +ATOM 27048 C CA . SER A 1 91 ? 1.543 -13.413 4.638 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 17 +ATOM 27049 C C . SER A 1 91 ? 1.774 -13.442 3.130 1.00 0.00 ? ? ? ? ? ? 88 SER A C 17 +ATOM 27050 O O . SER A 1 91 ? 2.682 -14.131 2.650 1.00 0.00 ? ? ? ? ? ? 88 SER A O 17 +ATOM 27051 C CB . SER A 1 91 ? 0.640 -14.538 5.112 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 17 +ATOM 27052 O OG . SER A 1 91 ? 0.558 -14.519 6.537 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 17 +ATOM 27053 H H . SER A 1 91 ? 0.088 -12.141 5.410 1.00 0.00 ? ? ? ? ? ? 88 SER A H 17 +ATOM 27054 H HA . SER A 1 91 ? 2.502 -13.523 5.119 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 17 +ATOM 27055 H HB2 . SER A 1 91 ? -0.347 -14.407 4.696 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 17 +ATOM 27056 H HB3 . SER A 1 91 ? 1.048 -15.487 4.798 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 17 +ATOM 27057 H HG . SER A 1 91 ? 0.356 -15.417 6.832 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 17 +ATOM 27058 N N . GLU A 1 92 ? 0.967 -12.683 2.396 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 17 +ATOM 27059 C CA . GLU A 1 92 ? 1.136 -12.523 0.963 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 17 +ATOM 27060 C C . GLU A 1 92 ? 2.496 -11.899 0.703 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 17 +ATOM 27061 O O . GLU A 1 92 ? 3.299 -12.425 -0.058 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 17 +ATOM 27062 C CB . GLU A 1 92 ? 0.035 -11.595 0.413 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 17 +ATOM 27063 C CG . GLU A 1 92 ? 0.073 -11.360 -1.091 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 17 +ATOM 27064 C CD . GLU A 1 92 ? -0.237 -12.595 -1.888 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 17 +ATOM 27065 O OE1 . GLU A 1 92 ? -1.416 -12.833 -2.199 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 17 +ATOM 27066 O OE2 . GLU A 1 92 ? 0.679 -13.346 -2.235 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 17 +ATOM 27067 H H . GLU A 1 92 ? 0.208 -12.227 2.825 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 17 +ATOM 27068 H HA . GLU A 1 92 ? 1.071 -13.487 0.479 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 17 +ATOM 27069 H HB2 . GLU A 1 92 ? -0.928 -12.018 0.658 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 17 +ATOM 27070 H HB3 . GLU A 1 92 ? 0.122 -10.638 0.905 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 17 +ATOM 27071 H HG2 . GLU A 1 92 ? -0.654 -10.602 -1.342 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 17 +ATOM 27072 H HG3 . GLU A 1 92 ? 1.057 -11.008 -1.361 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 17 +ATOM 27073 N N . ALA A 1 93 ? 2.758 -10.818 1.411 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 17 +ATOM 27074 C CA . ALA A 1 93 ? 3.968 -10.050 1.258 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 17 +ATOM 27075 C C . ALA A 1 93 ? 5.211 -10.768 1.814 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 17 +ATOM 27076 O O . ALA A 1 93 ? 6.208 -10.924 1.107 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 17 +ATOM 27077 C CB . ALA A 1 93 ? 3.797 -8.690 1.913 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 17 +ATOM 27078 H H . ALA A 1 93 ? 2.088 -10.517 2.062 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 17 +ATOM 27079 H HA . ALA A 1 93 ? 4.102 -9.883 0.200 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 17 +ATOM 27080 H HB1 . ALA A 1 93 ? 2.922 -8.202 1.509 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 17 +ATOM 27081 H HB2 . ALA A 1 93 ? 4.670 -8.085 1.719 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 17 +ATOM 27082 H HB3 . ALA A 1 93 ? 3.678 -8.821 2.977 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 17 +ATOM 27083 N N . VAL A 1 94 ? 5.145 -11.237 3.054 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 17 +ATOM 27084 C CA . VAL A 1 94 ? 6.323 -11.823 3.706 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 17 +ATOM 27085 C C . VAL A 1 94 ? 6.779 -13.141 3.046 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 17 +ATOM 27086 O O . VAL A 1 94 ? 7.980 -13.425 2.987 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 17 +ATOM 27087 C CB . VAL A 1 94 ? 6.165 -11.966 5.257 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 17 +ATOM 27088 C CG1 . VAL A 1 94 ? 5.093 -12.956 5.638 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 17 +ATOM 27089 C CG2 . VAL A 1 94 ? 7.487 -12.306 5.925 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 17 +ATOM 27090 H H . VAL A 1 94 ? 4.289 -11.179 3.539 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 17 +ATOM 27091 H HA . VAL A 1 94 ? 7.119 -11.116 3.514 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 17 +ATOM 27092 H HB . VAL A 1 94 ? 5.846 -11.002 5.629 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 17 +ATOM 27093 H HG11 . VAL A 1 94 ? 5.340 -13.921 5.223 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 17 +ATOM 27094 H HG12 . VAL A 1 94 ? 4.158 -12.606 5.230 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 17 +ATOM 27095 H HG13 . VAL A 1 94 ? 5.022 -13.023 6.713 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 17 +ATOM 27096 H HG21 . VAL A 1 94 ? 8.199 -11.513 5.744 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 17 +ATOM 27097 H HG22 . VAL A 1 94 ? 7.868 -13.228 5.511 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 17 +ATOM 27098 H HG23 . VAL A 1 94 ? 7.337 -12.423 6.989 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 17 +ATOM 27099 N N . LYS A 1 95 ? 5.840 -13.947 2.547 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 17 +ATOM 27100 C CA . LYS A 1 95 ? 6.228 -15.145 1.799 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 17 +ATOM 27101 C C . LYS A 1 95 ? 6.651 -14.800 0.375 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 17 +ATOM 27102 O O . LYS A 1 95 ? 7.232 -15.630 -0.322 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 17 +ATOM 27103 C CB . LYS A 1 95 ? 5.148 -16.251 1.750 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 17 +ATOM 27104 C CG . LYS A 1 95 ? 5.020 -17.167 2.979 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 17 +ATOM 27105 C CD . LYS A 1 95 ? 4.215 -16.574 4.124 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 17 +ATOM 27106 C CE . LYS A 1 95 ? 3.966 -17.639 5.196 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 17 +ATOM 27107 N NZ . LYS A 1 95 ? 3.017 -17.197 6.251 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 17 +ATOM 27108 H H . LYS A 1 95 ? 4.888 -13.740 2.671 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 17 +ATOM 27109 H HA . LYS A 1 95 ? 7.102 -15.537 2.298 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 17 +ATOM 27110 H HB2 . LYS A 1 95 ? 4.190 -15.775 1.603 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 17 +ATOM 27111 H HB3 . LYS A 1 95 ? 5.347 -16.871 0.889 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 17 +ATOM 27112 H HG2 . LYS A 1 95 ? 4.548 -18.090 2.679 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 17 +ATOM 27113 H HG3 . LYS A 1 95 ? 6.016 -17.392 3.331 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 17 +ATOM 27114 H HD2 . LYS A 1 95 ? 4.774 -15.758 4.557 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 17 +ATOM 27115 H HD3 . LYS A 1 95 ? 3.267 -16.212 3.756 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 17 +ATOM 27116 H HE2 . LYS A 1 95 ? 3.562 -18.521 4.721 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 17 +ATOM 27117 H HE3 . LYS A 1 95 ? 4.912 -17.889 5.653 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 17 +ATOM 27118 H HZ1 . LYS A 1 95 ? 3.334 -16.340 6.748 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 17 +ATOM 27119 H HZ2 . LYS A 1 95 ? 2.927 -17.931 6.981 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 17 +ATOM 27120 H HZ3 . LYS A 1 95 ? 2.062 -17.034 5.873 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 17 +ATOM 27121 N N . ARG A 1 96 ? 6.356 -13.584 -0.057 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 17 +ATOM 27122 C CA . ARG A 1 96 ? 6.628 -13.190 -1.423 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 17 +ATOM 27123 C C . ARG A 1 96 ? 8.060 -12.729 -1.574 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 17 +ATOM 27124 O O . ARG A 1 96 ? 8.750 -13.121 -2.529 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 17 +ATOM 27125 C CB . ARG A 1 96 ? 5.694 -12.087 -1.849 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 17 +ATOM 27126 C CG . ARG A 1 96 ? 5.644 -11.890 -3.328 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 17 +ATOM 27127 C CD . ARG A 1 96 ? 4.707 -10.778 -3.681 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 17 +ATOM 27128 N NE . ARG A 1 96 ? 4.373 -10.805 -5.090 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 17 +ATOM 27129 C CZ . ARG A 1 96 ? 3.899 -9.783 -5.773 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 17 +ATOM 27130 N NH1 . ARG A 1 96 ? 4.017 -8.542 -5.305 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 17 +ATOM 27131 N NH2 . ARG A 1 96 ? 3.391 -9.987 -6.964 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 17 +ATOM 27132 H H . ARG A 1 96 ? 5.957 -12.934 0.560 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 17 +ATOM 27133 H HA . ARG A 1 96 ? 6.459 -14.047 -2.057 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 17 +ATOM 27134 H HB2 . ARG A 1 96 ? 4.698 -12.323 -1.503 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 17 +ATOM 27135 H HB3 . ARG A 1 96 ? 6.012 -11.162 -1.391 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 17 +ATOM 27136 H HG2 . ARG A 1 96 ? 6.636 -11.643 -3.676 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 17 +ATOM 27137 H HG3 . ARG A 1 96 ? 5.309 -12.802 -3.798 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 17 +ATOM 27138 H HD2 . ARG A 1 96 ? 3.801 -10.884 -3.102 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 17 +ATOM 27139 H HD3 . ARG A 1 96 ? 5.176 -9.835 -3.449 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 17 +ATOM 27140 H HE . ARG A 1 96 ? 4.430 -11.702 -5.493 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 17 +ATOM 27141 H HH11 . ARG A 1 96 ? 4.476 -8.341 -4.435 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 17 +ATOM 27142 H HH12 . ARG A 1 96 ? 3.648 -7.766 -5.816 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 17 +ATOM 27143 H HH21 . ARG A 1 96 ? 3.366 -10.896 -7.389 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 17 +ATOM 27144 H HH22 . ARG A 1 96 ? 2.942 -9.245 -7.484 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 17 +ATOM 27145 N N . ILE A 1 97 ? 8.512 -11.891 -0.652 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 17 +ATOM 27146 C CA . ILE A 1 97 ? 9.891 -11.448 -0.664 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 17 +ATOM 27147 C C . ILE A 1 97 ? 10.749 -12.552 -0.066 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 17 +ATOM 27148 O O . ILE A 1 97 ? 10.961 -12.620 1.144 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 17 +ATOM 27149 C CB . ILE A 1 97 ? 10.155 -10.053 0.059 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 17 +ATOM 27150 C CG1 . ILE A 1 97 ? 9.466 -8.864 -0.667 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 17 +ATOM 27151 C CG2 . ILE A 1 97 ? 11.657 -9.762 0.166 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 17 +ATOM 27152 C CD1 . ILE A 1 97 ? 7.957 -8.814 -0.569 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 17 +ATOM 27153 H H . ILE A 1 97 ? 7.903 -11.576 0.050 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 17 +ATOM 27154 H HA . ILE A 1 97 ? 10.165 -11.371 -1.706 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 17 +ATOM 27155 H HB . ILE A 1 97 ? 9.765 -10.126 1.062 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 17 +ATOM 27156 H HG12 . ILE A 1 97 ? 9.839 -7.939 -0.252 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 17 +ATOM 27157 H HG13 . ILE A 1 97 ? 9.729 -8.905 -1.713 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 17 +ATOM 27158 H HG21 . ILE A 1 97 ? 12.134 -10.536 0.749 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 17 +ATOM 27159 H HG22 . ILE A 1 97 ? 11.808 -8.805 0.641 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 17 +ATOM 27160 H HG23 . ILE A 1 97 ? 12.089 -9.738 -0.823 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 17 +ATOM 27161 H HD11 . ILE A 1 97 ? 7.664 -8.745 0.468 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 17 +ATOM 27162 H HD12 . ILE A 1 97 ? 7.544 -9.713 -1.002 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 17 +ATOM 27163 H HD13 . ILE A 1 97 ? 7.589 -7.953 -1.107 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 17 +ATOM 27164 N N . LEU A 1 98 ? 11.121 -13.466 -0.910 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 17 +ATOM 27165 C CA . LEU A 1 98 ? 11.905 -14.596 -0.550 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 17 +ATOM 27166 C C . LEU A 1 98 ? 12.530 -15.127 -1.821 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 17 +ATOM 27167 O O . LEU A 1 98 ? 11.849 -15.850 -2.575 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 17 +ATOM 27168 C CB . LEU A 1 98 ? 11.020 -15.672 0.118 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 17 +ATOM 27169 C CG . LEU A 1 98 ? 11.740 -16.890 0.702 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 17 +ATOM 27170 C CD1 . LEU A 1 98 ? 12.668 -16.477 1.838 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 17 +ATOM 27171 C CD2 . LEU A 1 98 ? 10.728 -17.917 1.188 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 17 +ATOM 27172 O OXT . LEU A 1 98 ? 13.686 -14.784 -2.110 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 17 +ATOM 27173 H H . LEU A 1 98 ? 10.846 -13.393 -1.849 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 17 +ATOM 27174 H HA . LEU A 1 98 ? 12.677 -14.279 0.137 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 17 +ATOM 27175 H HB2 . LEU A 1 98 ? 10.469 -15.197 0.916 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 17 +ATOM 27176 H HB3 . LEU A 1 98 ? 10.312 -16.021 -0.618 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 17 +ATOM 27177 H HG . LEU A 1 98 ? 12.342 -17.346 -0.069 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 17 +ATOM 27178 H HD11 . LEU A 1 98 ? 13.412 -15.788 1.467 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 17 +ATOM 27179 H HD12 . LEU A 1 98 ? 13.158 -17.352 2.241 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 17 +ATOM 27180 H HD13 . LEU A 1 98 ? 12.092 -15.998 2.616 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 17 +ATOM 27181 H HD21 . LEU A 1 98 ? 10.100 -17.474 1.947 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 17 +ATOM 27182 H HD22 . LEU A 1 98 ? 11.251 -18.766 1.606 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 17 +ATOM 27183 H HD23 . LEU A 1 98 ? 10.118 -18.244 0.359 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 17 +ATOM 27184 N N . MET A 1 4 ? 10.629 15.980 -2.116 1.00 0.00 ? ? ? ? ? ? 1 MET A N 18 +ATOM 27185 C CA . MET A 1 4 ? 10.788 14.958 -3.140 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 18 +ATOM 27186 C C . MET A 1 4 ? 9.739 13.894 -2.948 1.00 0.00 ? ? ? ? ? ? 1 MET A C 18 +ATOM 27187 O O . MET A 1 4 ? 9.479 13.466 -1.824 1.00 0.00 ? ? ? ? ? ? 1 MET A O 18 +ATOM 27188 C CB . MET A 1 4 ? 12.190 14.352 -3.084 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 18 +ATOM 27189 C CG . MET A 1 4 ? 12.435 13.227 -4.079 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 18 +ATOM 27190 S SD . MET A 1 4 ? 12.197 13.746 -5.785 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 18 +ATOM 27191 C CE . MET A 1 4 ? 12.522 12.199 -6.639 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 18 +ATOM 27192 H H . MET A 1 4 ? 10.733 15.561 -1.172 1.00 0.00 ? ? ? ? ? ? 1 MET A H 18 +ATOM 27193 H HA . MET A 1 4 ? 10.631 15.415 -4.106 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 18 +ATOM 27194 H HB2 . MET A 1 4 ? 12.899 15.138 -3.293 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 18 +ATOM 27195 H HB3 . MET A 1 4 ? 12.357 13.972 -2.089 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 18 +ATOM 27196 H HG2 . MET A 1 4 ? 13.451 12.877 -3.970 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 18 +ATOM 27197 H HG3 . MET A 1 4 ? 11.750 12.419 -3.866 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 18 +ATOM 27198 H HE1 . MET A 1 4 ? 12.420 12.340 -7.705 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 18 +ATOM 27199 H HE2 . MET A 1 4 ? 11.819 11.450 -6.306 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 18 +ATOM 27200 H HE3 . MET A 1 4 ? 13.526 11.873 -6.414 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 18 +ATOM 27201 N N . ALA A 1 5 ? 9.158 13.461 -4.031 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 18 +ATOM 27202 C CA . ALA A 1 5 ? 8.096 12.491 -3.998 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 18 +ATOM 27203 C C . ALA A 1 5 ? 8.467 11.274 -4.822 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 18 +ATOM 27204 O O . ALA A 1 5 ? 9.256 11.370 -5.760 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 18 +ATOM 27205 C CB . ALA A 1 5 ? 6.801 13.108 -4.505 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 18 +ATOM 27206 H H . ALA A 1 5 ? 9.486 13.783 -4.899 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 18 +ATOM 27207 H HA . ALA A 1 5 ? 7.951 12.189 -2.970 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 18 +ATOM 27208 H HB1 . ALA A 1 5 ? 6.927 13.410 -5.534 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 18 +ATOM 27209 H HB2 . ALA A 1 5 ? 6.550 13.969 -3.903 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 18 +ATOM 27210 H HB3 . ALA A 1 5 ? 6.007 12.379 -4.440 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 18 +ATOM 27211 N N . TYR A 1 6 ? 7.905 10.148 -4.471 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 18 +ATOM 27212 C CA . TYR A 1 6 ? 8.168 8.884 -5.158 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 18 +ATOM 27213 C C . TYR A 1 6 ? 7.038 8.586 -6.129 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 18 +ATOM 27214 O O . TYR A 1 6 ? 6.016 9.275 -6.123 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 18 +ATOM 27215 C CB . TYR A 1 6 ? 8.260 7.722 -4.150 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 18 +ATOM 27216 C CG . TYR A 1 6 ? 9.427 7.755 -3.175 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 18 +ATOM 27217 C CD1 . TYR A 1 6 ? 9.692 8.873 -2.405 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 18 +ATOM 27218 C CD2 . TYR A 1 6 ? 10.246 6.646 -3.011 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 18 +ATOM 27219 C CE1 . TYR A 1 6 ? 10.726 8.893 -1.511 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 18 +ATOM 27220 C CE2 . TYR A 1 6 ? 11.285 6.657 -2.102 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 18 +ATOM 27221 C CZ . TYR A 1 6 ? 11.517 7.787 -1.356 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 18 +ATOM 27222 O OH . TYR A 1 6 ? 12.533 7.809 -0.434 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 18 +ATOM 27223 H H . TYR A 1 6 ? 7.275 10.159 -3.720 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 18 +ATOM 27224 H HA . TYR A 1 6 ? 9.103 8.965 -5.691 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 18 +ATOM 27225 H HB2 . TYR A 1 6 ? 7.359 7.712 -3.553 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 18 +ATOM 27226 H HB3 . TYR A 1 6 ? 8.313 6.796 -4.706 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 18 +ATOM 27227 H HD1 . TYR A 1 6 ? 9.069 9.747 -2.523 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 18 +ATOM 27228 H HD2 . TYR A 1 6 ? 10.059 5.761 -3.601 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 18 +ATOM 27229 H HE1 . TYR A 1 6 ? 10.907 9.779 -0.923 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 18 +ATOM 27230 H HE2 . TYR A 1 6 ? 11.914 5.788 -1.985 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 18 +ATOM 27231 H HH . TYR A 1 6 ? 13.287 7.304 -0.789 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 18 +ATOM 27232 N N . PHE A 1 7 ? 7.217 7.578 -6.944 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 18 +ATOM 27233 C CA . PHE A 1 7 ? 6.187 7.132 -7.865 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 18 +ATOM 27234 C C . PHE A 1 7 ? 5.323 6.100 -7.159 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 18 +ATOM 27235 O O . PHE A 1 7 ? 5.762 5.507 -6.195 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 18 +ATOM 27236 C CB . PHE A 1 7 ? 6.824 6.519 -9.121 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 18 +ATOM 27237 C CG . PHE A 1 7 ? 7.645 7.492 -9.920 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 18 +ATOM 27238 C CD1 . PHE A 1 7 ? 7.033 8.501 -10.644 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 18 +ATOM 27239 C CD2 . PHE A 1 7 ? 9.027 7.394 -9.950 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 18 +ATOM 27240 C CE1 . PHE A 1 7 ? 7.783 9.398 -11.379 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 18 +ATOM 27241 C CE2 . PHE A 1 7 ? 9.782 8.287 -10.685 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 18 +ATOM 27242 C CZ . PHE A 1 7 ? 9.159 9.290 -11.400 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 18 +ATOM 27243 H H . PHE A 1 7 ? 8.076 7.095 -6.924 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 18 +ATOM 27244 H HA . PHE A 1 7 ? 5.580 7.980 -8.141 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 18 +ATOM 27245 H HB2 . PHE A 1 7 ? 7.490 5.732 -8.802 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 18 +ATOM 27246 H HB3 . PHE A 1 7 ? 6.070 6.086 -9.760 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 18 +ATOM 27247 H HD1 . PHE A 1 7 ? 5.956 8.589 -10.626 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 18 +ATOM 27248 H HD2 . PHE A 1 7 ? 9.514 6.609 -9.389 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 18 +ATOM 27249 H HE1 . PHE A 1 7 ? 7.294 10.181 -11.940 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 18 +ATOM 27250 H HE2 . PHE A 1 7 ? 10.859 8.202 -10.700 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 18 +ATOM 27251 H HZ . PHE A 1 7 ? 9.746 9.990 -11.977 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 18 +ATOM 27252 N N . LEU A 1 8 ? 4.108 5.910 -7.602 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 18 +ATOM 27253 C CA . LEU A 1 8 ? 3.218 4.941 -6.976 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 18 +ATOM 27254 C C . LEU A 1 8 ? 2.693 3.977 -8.051 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 18 +ATOM 27255 O O . LEU A 1 8 ? 2.216 4.425 -9.105 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 18 +ATOM 27256 C CB . LEU A 1 8 ? 2.042 5.707 -6.301 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 18 +ATOM 27257 C CG . LEU A 1 8 ? 1.180 4.991 -5.219 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 18 +ATOM 27258 C CD1 . LEU A 1 8 ? 0.453 3.767 -5.732 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 18 +ATOM 27259 C CD2 . LEU A 1 8 ? 2.008 4.644 -4.004 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 18 +ATOM 27260 H H . LEU A 1 8 ? 3.775 6.436 -8.359 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 18 +ATOM 27261 H HA . LEU A 1 8 ? 3.769 4.394 -6.226 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 18 +ATOM 27262 H HB2 . LEU A 1 8 ? 2.449 6.598 -5.848 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 18 +ATOM 27263 H HB3 . LEU A 1 8 ? 1.382 6.021 -7.095 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 18 +ATOM 27264 H HG . LEU A 1 8 ? 0.419 5.687 -4.899 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 18 +ATOM 27265 H HD11 . LEU A 1 8 ? -0.281 4.059 -6.470 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 18 +ATOM 27266 H HD12 . LEU A 1 8 ? -0.020 3.261 -4.904 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 18 +ATOM 27267 H HD13 . LEU A 1 8 ? 1.172 3.101 -6.185 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 18 +ATOM 27268 H HD21 . LEU A 1 8 ? 2.822 4.000 -4.301 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 18 +ATOM 27269 H HD22 . LEU A 1 8 ? 1.387 4.124 -3.289 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 18 +ATOM 27270 H HD23 . LEU A 1 8 ? 2.396 5.547 -3.556 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 18 +ATOM 27271 N N . ASP A 1 9 ? 2.786 2.683 -7.798 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 18 +ATOM 27272 C CA . ASP A 1 9 ? 2.229 1.666 -8.705 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 18 +ATOM 27273 C C . ASP A 1 9 ? 1.587 0.570 -7.865 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 18 +ATOM 27274 O O . ASP A 1 9 ? 1.909 0.428 -6.679 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 18 +ATOM 27275 C CB . ASP A 1 9 ? 3.309 1.080 -9.648 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 18 +ATOM 27276 C CG . ASP A 1 9 ? 2.741 0.141 -10.721 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 18 +ATOM 27277 O OD1 . ASP A 1 9 ? 1.917 0.583 -11.547 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 18 +ATOM 27278 O OD2 . ASP A 1 9 ? 3.092 -1.040 -10.748 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 18 +ATOM 27279 H H . ASP A 1 9 ? 3.224 2.372 -6.972 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 18 +ATOM 27280 H HA . ASP A 1 9 ? 1.453 2.145 -9.286 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 18 +ATOM 27281 H HB2 . ASP A 1 9 ? 3.844 1.880 -10.139 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 18 +ATOM 27282 H HB3 . ASP A 1 9 ? 3.994 0.509 -9.040 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 18 +ATOM 27283 N N . PHE A 1 10 ? 0.682 -0.169 -8.446 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 18 +ATOM 27284 C CA . PHE A 1 10 ? -0.047 -1.211 -7.738 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 18 +ATOM 27285 C C . PHE A 1 10 ? 0.222 -2.552 -8.384 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 18 +ATOM 27286 O O . PHE A 1 10 ? 0.177 -2.675 -9.624 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 18 +ATOM 27287 C CB . PHE A 1 10 ? -1.567 -0.977 -7.805 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 18 +ATOM 27288 C CG . PHE A 1 10 ? -2.078 0.322 -7.250 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 18 +ATOM 27289 C CD1 . PHE A 1 10 ? -2.107 1.460 -8.037 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 18 +ATOM 27290 C CD2 . PHE A 1 10 ? -2.558 0.395 -5.961 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 18 +ATOM 27291 C CE1 . PHE A 1 10 ? -2.603 2.645 -7.549 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 18 +ATOM 27292 C CE2 . PHE A 1 10 ? -3.052 1.579 -5.462 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 18 +ATOM 27293 C CZ . PHE A 1 10 ? -3.074 2.707 -6.257 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 18 +ATOM 27294 H H . PHE A 1 10 ? 0.515 -0.039 -9.402 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 18 +ATOM 27295 H HA . PHE A 1 10 ? 0.261 -1.224 -6.704 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 18 +ATOM 27296 H HB2 . PHE A 1 10 ? -1.874 -1.017 -8.839 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 18 +ATOM 27297 H HB3 . PHE A 1 10 ? -2.056 -1.783 -7.276 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 18 +ATOM 27298 H HD1 . PHE A 1 10 ? -1.730 1.409 -9.047 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 18 +ATOM 27299 H HD2 . PHE A 1 10 ? -2.542 -0.486 -5.337 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 18 +ATOM 27300 H HE1 . PHE A 1 10 ? -2.618 3.523 -8.177 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 18 +ATOM 27301 H HE2 . PHE A 1 10 ? -3.422 1.625 -4.449 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 18 +ATOM 27302 H HZ . PHE A 1 10 ? -3.464 3.635 -5.867 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 18 +ATOM 27303 N N . ASP A 1 11 ? 0.503 -3.537 -7.572 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 18 +ATOM 27304 C CA . ASP A 1 11 ? 0.660 -4.913 -8.027 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 18 +ATOM 27305 C C . ASP A 1 11 ? -0.656 -5.460 -8.478 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 18 +ATOM 27306 O O . ASP A 1 11 ? -1.701 -4.976 -8.057 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 18 +ATOM 27307 C CB . ASP A 1 11 ? 1.227 -5.818 -6.945 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 18 +ATOM 27308 C CG . ASP A 1 11 ? 2.694 -5.628 -6.740 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 18 +ATOM 27309 O OD1 . ASP A 1 11 ? 3.486 -6.246 -7.488 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 18 +ATOM 27310 O OD2 . ASP A 1 11 ? 3.094 -4.902 -5.821 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 18 +ATOM 27311 H H . ASP A 1 11 ? 0.626 -3.356 -6.610 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 18 +ATOM 27312 H HA . ASP A 1 11 ? 1.337 -4.905 -8.867 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 18 +ATOM 27313 H HB2 . ASP A 1 11 ? 0.724 -5.613 -6.012 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 18 +ATOM 27314 H HB3 . ASP A 1 11 ? 1.049 -6.846 -7.223 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 18 +ATOM 27315 N N . GLU A 1 12 ? -0.615 -6.454 -9.338 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 18 +ATOM 27316 C CA . GLU A 1 12 ? -1.821 -7.091 -9.861 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 18 +ATOM 27317 C C . GLU A 1 12 ? -2.700 -7.621 -8.714 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 18 +ATOM 27318 O O . GLU A 1 12 ? -3.924 -7.519 -8.765 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 18 +ATOM 27319 C CB . GLU A 1 12 ? -1.491 -8.225 -10.879 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 18 +ATOM 27320 C CG . GLU A 1 12 ? -0.763 -9.469 -10.324 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 18 +ATOM 27321 C CD . GLU A 1 12 ? 0.621 -9.188 -9.782 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 18 +ATOM 27322 O OE1 . GLU A 1 12 ? 0.740 -8.813 -8.609 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 18 +ATOM 27323 O OE2 . GLU A 1 12 ? 1.606 -9.326 -10.534 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 18 +ATOM 27324 H H . GLU A 1 12 ? 0.263 -6.801 -9.604 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 18 +ATOM 27325 H HA . GLU A 1 12 ? -2.382 -6.320 -10.367 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 18 +ATOM 27326 H HB2 . GLU A 1 12 ? -2.422 -8.566 -11.306 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 18 +ATOM 27327 H HB3 . GLU A 1 12 ? -0.888 -7.803 -11.669 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 18 +ATOM 27328 H HG2 . GLU A 1 12 ? -1.355 -9.882 -9.520 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 18 +ATOM 27329 H HG3 . GLU A 1 12 ? -0.686 -10.199 -11.117 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 18 +ATOM 27330 N N . ARG A 1 13 ? -2.047 -8.131 -7.666 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 18 +ATOM 27331 C CA . ARG A 1 13 ? -2.729 -8.643 -6.471 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 18 +ATOM 27332 C C . ARG A 1 13 ? -3.544 -7.500 -5.844 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 18 +ATOM 27333 O O . ARG A 1 13 ? -4.762 -7.631 -5.582 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 18 +ATOM 27334 C CB . ARG A 1 13 ? -1.677 -9.136 -5.450 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 18 +ATOM 27335 C CG . ARG A 1 13 ? -0.603 -10.027 -6.055 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 18 +ATOM 27336 C CD . ARG A 1 13 ? 0.470 -10.419 -5.051 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 18 +ATOM 27337 N NE . ARG A 1 13 ? 1.657 -10.968 -5.734 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 18 +ATOM 27338 C CZ . ARG A 1 13 ? 2.415 -12.000 -5.318 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 18 +ATOM 27339 N NH1 . ARG A 1 13 ? 2.092 -12.680 -4.219 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 18 +ATOM 27340 N NH2 . ARG A 1 13 ? 3.494 -12.357 -6.032 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 18 +ATOM 27341 H H . ARG A 1 13 ? -1.065 -8.176 -7.734 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 18 +ATOM 27342 H HA . ARG A 1 13 ? -3.381 -9.457 -6.746 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 18 +ATOM 27343 H HB2 . ARG A 1 13 ? -1.196 -8.276 -5.007 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 18 +ATOM 27344 H HB3 . ARG A 1 13 ? -2.181 -9.691 -4.672 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 18 +ATOM 27345 H HG2 . ARG A 1 13 ? -1.068 -10.931 -6.421 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 18 +ATOM 27346 H HG3 . ARG A 1 13 ? -0.138 -9.508 -6.880 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 18 +ATOM 27347 H HD2 . ARG A 1 13 ? 0.755 -9.547 -4.481 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 18 +ATOM 27348 H HD3 . ARG A 1 13 ? 0.071 -11.172 -4.388 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 18 +ATOM 27349 H HE . ARG A 1 13 ? 1.882 -10.474 -6.557 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 18 +ATOM 27350 H HH11 . ARG A 1 13 ? 1.277 -12.465 -3.656 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 18 +ATOM 27351 H HH12 . ARG A 1 13 ? 2.625 -13.464 -3.891 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 18 +ATOM 27352 H HH21 . ARG A 1 13 ? 3.760 -11.870 -6.868 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 18 +ATOM 27353 H HH22 . ARG A 1 13 ? 4.071 -13.142 -5.789 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 18 +ATOM 27354 N N . ALA A 1 14 ? -2.877 -6.369 -5.681 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 18 +ATOM 27355 C CA . ALA A 1 14 ? -3.458 -5.170 -5.118 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 18 +ATOM 27356 C C . ALA A 1 14 ? -4.508 -4.572 -6.028 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 18 +ATOM 27357 O O . ALA A 1 14 ? -5.485 -4.053 -5.557 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 18 +ATOM 27358 C CB . ALA A 1 14 ? -2.391 -4.142 -4.824 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 18 +ATOM 27359 H H . ALA A 1 14 ? -1.936 -6.335 -5.950 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 18 +ATOM 27360 H HA . ALA A 1 14 ? -3.926 -5.440 -4.182 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 18 +ATOM 27361 H HB1 . ALA A 1 14 ? -1.921 -3.836 -5.746 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 18 +ATOM 27362 H HB2 . ALA A 1 14 ? -1.648 -4.574 -4.168 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 18 +ATOM 27363 H HB3 . ALA A 1 14 ? -2.843 -3.286 -4.347 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 18 +ATOM 27364 N N . LEU A 1 15 ? -4.308 -4.675 -7.340 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 18 +ATOM 27365 C CA . LEU A 1 15 ? -5.234 -4.110 -8.312 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 18 +ATOM 27366 C C . LEU A 1 15 ? -6.568 -4.778 -8.223 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 18 +ATOM 27367 O O . LEU A 1 15 ? -7.607 -4.129 -8.308 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 18 +ATOM 27368 C CB . LEU A 1 15 ? -4.684 -4.204 -9.734 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 18 +ATOM 27369 C CG . LEU A 1 15 ? -3.607 -3.187 -10.122 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 18 +ATOM 27370 C CD1 . LEU A 1 15 ? -3.056 -3.505 -11.502 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 18 +ATOM 27371 C CD2 . LEU A 1 15 ? -4.192 -1.774 -10.109 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 18 +ATOM 27372 H H . LEU A 1 15 ? -3.516 -5.156 -7.669 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 18 +ATOM 27373 H HA . LEU A 1 15 ? -5.364 -3.069 -8.060 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 18 +ATOM 27374 H HB2 . LEU A 1 15 ? -4.272 -5.194 -9.861 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 18 +ATOM 27375 H HB3 . LEU A 1 15 ? -5.517 -4.098 -10.410 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 18 +ATOM 27376 H HG . LEU A 1 15 ? -2.796 -3.224 -9.408 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 18 +ATOM 27377 H HD11 . LEU A 1 15 ? -2.618 -4.493 -11.501 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 18 +ATOM 27378 H HD12 . LEU A 1 15 ? -2.299 -2.779 -11.762 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 18 +ATOM 27379 H HD13 . LEU A 1 15 ? -3.857 -3.467 -12.225 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 18 +ATOM 27380 H HD21 . LEU A 1 15 ? -5.030 -1.728 -10.790 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 18 +ATOM 27381 H HD22 . LEU A 1 15 ? -3.439 -1.070 -10.430 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 18 +ATOM 27382 H HD23 . LEU A 1 15 ? -4.522 -1.516 -9.114 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 18 +ATOM 27383 N N . LYS A 1 16 ? -6.532 -6.061 -8.009 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 18 +ATOM 27384 C CA . LYS A 1 16 ? -7.720 -6.842 -7.855 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 18 +ATOM 27385 C C . LYS A 1 16 ? -8.463 -6.424 -6.603 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 18 +ATOM 27386 O O . LYS A 1 16 ? -9.681 -6.246 -6.632 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 18 +ATOM 27387 C CB . LYS A 1 16 ? -7.355 -8.297 -7.807 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 18 +ATOM 27388 C CG . LYS A 1 16 ? -6.763 -8.794 -9.100 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 18 +ATOM 27389 C CD . LYS A 1 16 ? -6.194 -10.166 -8.931 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 18 +ATOM 27390 C CE . LYS A 1 16 ? -5.655 -10.699 -10.236 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 18 +ATOM 27391 N NZ . LYS A 1 16 ? -5.231 -12.100 -10.111 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 18 +ATOM 27392 H H . LYS A 1 16 ? -5.653 -6.498 -7.958 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 18 +ATOM 27393 H HA . LYS A 1 16 ? -8.347 -6.666 -8.716 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 18 +ATOM 27394 H HB2 . LYS A 1 16 ? -6.632 -8.443 -7.019 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 18 +ATOM 27395 H HB3 . LYS A 1 16 ? -8.241 -8.872 -7.591 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 18 +ATOM 27396 H HG2 . LYS A 1 16 ? -7.534 -8.823 -9.855 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 18 +ATOM 27397 H HG3 . LYS A 1 16 ? -5.978 -8.118 -9.408 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 18 +ATOM 27398 H HD2 . LYS A 1 16 ? -5.372 -10.057 -8.235 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 18 +ATOM 27399 H HD3 . LYS A 1 16 ? -6.943 -10.832 -8.530 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 18 +ATOM 27400 H HE2 . LYS A 1 16 ? -6.425 -10.630 -10.990 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 18 +ATOM 27401 H HE3 . LYS A 1 16 ? -4.808 -10.099 -10.532 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 18 +ATOM 27402 H HZ1 . LYS A 1 16 ? -4.807 -12.443 -10.995 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 18 +ATOM 27403 H HZ2 . LYS A 1 16 ? -6.053 -12.701 -9.892 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 18 +ATOM 27404 H HZ3 . LYS A 1 16 ? -4.542 -12.210 -9.341 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 18 +ATOM 27405 N N . GLU A 1 17 ? -7.727 -6.224 -5.518 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 18 +ATOM 27406 C CA . GLU A 1 17 ? -8.332 -5.777 -4.274 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 18 +ATOM 27407 C C . GLU A 1 17 ? -8.824 -4.326 -4.386 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 18 +ATOM 27408 O O . GLU A 1 17 ? -9.844 -3.974 -3.854 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 18 +ATOM 27409 C CB . GLU A 1 17 ? -7.399 -5.956 -3.082 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 18 +ATOM 27410 C CG . GLU A 1 17 ? -6.914 -7.376 -2.906 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 18 +ATOM 27411 C CD . GLU A 1 17 ? -6.327 -7.657 -1.545 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 18 +ATOM 27412 O OE1 . GLU A 1 17 ? -5.258 -7.122 -1.203 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 18 +ATOM 27413 O OE2 . GLU A 1 17 ? -6.940 -8.464 -0.795 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 18 +ATOM 27414 H H . GLU A 1 17 ? -6.759 -6.390 -5.550 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 18 +ATOM 27415 H HA . GLU A 1 17 ? -9.202 -6.400 -4.134 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 18 +ATOM 27416 H HB2 . GLU A 1 17 ? -6.538 -5.320 -3.220 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 18 +ATOM 27417 H HB3 . GLU A 1 17 ? -7.918 -5.658 -2.182 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 18 +ATOM 27418 H HG2 . GLU A 1 17 ? -7.744 -8.049 -3.059 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 18 +ATOM 27419 H HG3 . GLU A 1 17 ? -6.158 -7.567 -3.653 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 18 +ATOM 27420 N N . TRP A 1 18 ? -8.088 -3.515 -5.100 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 18 +ATOM 27421 C CA . TRP A 1 18 ? -8.416 -2.106 -5.340 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 18 +ATOM 27422 C C . TRP A 1 18 ? -9.725 -2.003 -6.156 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 18 +ATOM 27423 O O . TRP A 1 18 ? -10.555 -1.111 -5.936 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 18 +ATOM 27424 C CB . TRP A 1 18 ? -7.230 -1.477 -6.097 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 18 +ATOM 27425 C CG . TRP A 1 18 ? -7.274 -0.001 -6.321 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 18 +ATOM 27426 C CD1 . TRP A 1 18 ? -7.643 0.648 -7.463 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 18 +ATOM 27427 C CD2 . TRP A 1 18 ? -6.892 1.013 -5.386 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 18 +ATOM 27428 N NE1 . TRP A 1 18 ? -7.517 2.006 -7.289 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 18 +ATOM 27429 C CE2 . TRP A 1 18 ? -7.059 2.254 -6.023 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 18 +ATOM 27430 C CE3 . TRP A 1 18 ? -6.428 0.988 -4.065 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 18 +ATOM 27431 C CZ2 . TRP A 1 18 ? -6.776 3.461 -5.389 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 18 +ATOM 27432 C CZ3 . TRP A 1 18 ? -6.149 2.185 -3.441 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 18 +ATOM 27433 C CH2 . TRP A 1 18 ? -6.322 3.404 -4.101 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 18 +ATOM 27434 H H . TRP A 1 18 ? -7.248 -3.869 -5.470 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 18 +ATOM 27435 H HA . TRP A 1 18 ? -8.548 -1.605 -4.389 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 18 +ATOM 27436 H HB2 . TRP A 1 18 ? -6.325 -1.681 -5.548 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 18 +ATOM 27437 H HB3 . TRP A 1 18 ? -7.156 -1.959 -7.060 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 18 +ATOM 27438 H HD1 . TRP A 1 18 ? -7.978 0.147 -8.360 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 18 +ATOM 27439 H HE1 . TRP A 1 18 ? -7.716 2.697 -7.955 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 18 +ATOM 27440 H HE3 . TRP A 1 18 ? -6.289 0.057 -3.537 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 18 +ATOM 27441 H HZ2 . TRP A 1 18 ? -6.906 4.413 -5.883 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 18 +ATOM 27442 H HZ3 . TRP A 1 18 ? -5.789 2.190 -2.424 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 18 +ATOM 27443 H HH2 . TRP A 1 18 ? -6.089 4.314 -3.568 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 18 +ATOM 27444 N N . ARG A 1 19 ? -9.890 -2.913 -7.108 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 18 +ATOM 27445 C CA . ARG A 1 19 ? -11.123 -3.005 -7.894 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 18 +ATOM 27446 C C . ARG A 1 19 ? -12.238 -3.630 -7.064 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 18 +ATOM 27447 O O . ARG A 1 19 ? -13.417 -3.419 -7.325 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 18 +ATOM 27448 C CB . ARG A 1 19 ? -10.914 -3.821 -9.166 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 18 +ATOM 27449 C CG . ARG A 1 19 ? -9.965 -3.198 -10.169 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 18 +ATOM 27450 C CD . ARG A 1 19 ? -9.758 -4.111 -11.365 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 18 +ATOM 27451 N NE . ARG A 1 19 ? -11.002 -4.348 -12.117 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 18 +ATOM 27452 C CZ . ARG A 1 19 ? -11.115 -5.154 -13.189 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 18 +ATOM 27453 N NH1 . ARG A 1 19 ? -10.069 -5.869 -13.605 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 18 +ATOM 27454 N NH2 . ARG A 1 19 ? -12.284 -5.259 -13.822 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 18 +ATOM 27455 H H . ARG A 1 19 ? -9.145 -3.528 -7.299 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 18 +ATOM 27456 H HA . ARG A 1 19 ? -11.411 -1.997 -8.157 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 18 +ATOM 27457 H HB2 . ARG A 1 19 ? -10.519 -4.789 -8.891 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 18 +ATOM 27458 H HB3 . ARG A 1 19 ? -11.868 -3.965 -9.647 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 18 +ATOM 27459 H HG2 . ARG A 1 19 ? -10.377 -2.259 -10.508 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 18 +ATOM 27460 H HG3 . ARG A 1 19 ? -9.011 -3.023 -9.691 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 18 +ATOM 27461 H HD2 . ARG A 1 19 ? -9.024 -3.666 -12.020 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 18 +ATOM 27462 H HD3 . ARG A 1 19 ? -9.380 -5.055 -11.004 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 18 +ATOM 27463 H HE . ARG A 1 19 ? -11.785 -3.850 -11.788 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 18 +ATOM 27464 H HH11 . ARG A 1 19 ? -9.186 -5.828 -13.129 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 18 +ATOM 27465 H HH12 . ARG A 1 19 ? -10.109 -6.471 -14.406 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 18 +ATOM 27466 H HH21 . ARG A 1 19 ? -13.090 -4.749 -13.511 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 18 +ATOM 27467 H HH22 . ARG A 1 19 ? -12.413 -5.839 -14.632 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 18 +ATOM 27468 N N . LYS A 1 20 ? -11.847 -4.429 -6.104 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 18 +ATOM 27469 C CA . LYS A 1 20 ? -12.755 -5.079 -5.173 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 18 +ATOM 27470 C C . LYS A 1 20 ? -13.301 -4.041 -4.203 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 18 +ATOM 27471 O O . LYS A 1 20 ? -14.483 -4.053 -3.853 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 18 +ATOM 27472 C CB . LYS A 1 20 ? -11.972 -6.154 -4.422 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 18 +ATOM 27473 C CG . LYS A 1 20 ? -12.712 -6.906 -3.348 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 18 +ATOM 27474 C CD . LYS A 1 20 ? -11.775 -7.898 -2.679 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 18 +ATOM 27475 C CE . LYS A 1 20 ? -12.467 -8.666 -1.583 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 18 +ATOM 27476 N NZ . LYS A 1 20 ? -12.853 -7.811 -0.455 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 18 +ATOM 27477 H H . LYS A 1 20 ? -10.885 -4.605 -6.014 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 18 +ATOM 27478 H HA . LYS A 1 20 ? -13.562 -5.540 -5.721 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 18 +ATOM 27479 H HB2 . LYS A 1 20 ? -11.606 -6.877 -5.135 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 18 +ATOM 27480 H HB3 . LYS A 1 20 ? -11.121 -5.668 -3.967 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 18 +ATOM 27481 H HG2 . LYS A 1 20 ? -13.067 -6.201 -2.612 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 18 +ATOM 27482 H HG3 . LYS A 1 20 ? -13.542 -7.439 -3.785 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 18 +ATOM 27483 H HD2 . LYS A 1 20 ? -11.408 -8.597 -3.414 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 18 +ATOM 27484 H HD3 . LYS A 1 20 ? -10.939 -7.359 -2.258 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 18 +ATOM 27485 H HE2 . LYS A 1 20 ? -13.368 -9.079 -2.007 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 18 +ATOM 27486 H HE3 . LYS A 1 20 ? -11.821 -9.458 -1.237 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 18 +ATOM 27487 H HZ1 . LYS A 1 20 ? -13.455 -7.028 -0.770 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 18 +ATOM 27488 H HZ2 . LYS A 1 20 ? -12.015 -7.441 0.037 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 18 +ATOM 27489 H HZ3 . LYS A 1 20 ? -13.389 -8.374 0.238 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 18 +ATOM 27490 N N . LEU A 1 21 ? -12.424 -3.153 -3.793 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 18 +ATOM 27491 C CA . LEU A 1 21 ? -12.740 -2.072 -2.904 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 18 +ATOM 27492 C C . LEU A 1 21 ? -13.715 -1.112 -3.527 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 18 +ATOM 27493 O O . LEU A 1 21 ? -13.758 -0.942 -4.758 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 18 +ATOM 27494 C CB . LEU A 1 21 ? -11.477 -1.306 -2.521 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 18 +ATOM 27495 C CG . LEU A 1 21 ? -10.924 -1.540 -1.123 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 18 +ATOM 27496 C CD1 . LEU A 1 21 ? -10.615 -2.998 -0.870 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 18 +ATOM 27497 C CD2 . LEU A 1 21 ? -9.702 -0.687 -0.910 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 18 +ATOM 27498 H H . LEU A 1 21 ? -11.491 -3.236 -4.090 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 18 +ATOM 27499 H HA . LEU A 1 21 ? -13.149 -2.514 -2.010 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 18 +ATOM 27500 H HB2 . LEU A 1 21 ? -10.707 -1.568 -3.230 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 18 +ATOM 27501 H HB3 . LEU A 1 21 ? -11.689 -0.253 -2.626 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 18 +ATOM 27502 H HG . LEU A 1 21 ? -11.666 -1.224 -0.409 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 18 +ATOM 27503 H HD11 . LEU A 1 21 ? -10.226 -3.115 0.131 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 18 +ATOM 27504 H HD12 . LEU A 1 21 ? -9.886 -3.344 -1.588 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 18 +ATOM 27505 H HD13 . LEU A 1 21 ? -11.524 -3.569 -0.972 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 18 +ATOM 27506 H HD21 . LEU A 1 21 ? -9.313 -0.857 0.083 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 18 +ATOM 27507 H HD22 . LEU A 1 21 ? -9.986 0.351 -1.010 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 18 +ATOM 27508 H HD23 . LEU A 1 21 ? -8.950 -0.930 -1.645 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 18 +ATOM 27509 N N . GLY A 1 22 ? -14.479 -0.481 -2.684 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 18 +ATOM 27510 C CA . GLY A 1 22 ? -15.416 0.501 -3.121 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 18 +ATOM 27511 C C . GLY A 1 22 ? -14.694 1.747 -3.533 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 18 +ATOM 27512 O O . GLY A 1 22 ? -13.642 2.068 -2.955 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 18 +ATOM 27513 H H . GLY A 1 22 ? -14.377 -0.688 -1.732 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 18 +ATOM 27514 H HA2 . GLY A 1 22 ? -15.986 0.114 -3.952 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 18 +ATOM 27515 H HA3 . GLY A 1 22 ? -16.082 0.742 -2.308 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 18 +ATOM 27516 N N . SER A 1 23 ? -15.240 2.443 -4.506 1.00 0.00 ? ? ? ? ? ? 20 SER A N 18 +ATOM 27517 C CA . SER A 1 23 ? -14.658 3.641 -5.068 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 18 +ATOM 27518 C C . SER A 1 23 ? -14.280 4.658 -3.986 1.00 0.00 ? ? ? ? ? ? 20 SER A C 18 +ATOM 27519 O O . SER A 1 23 ? -13.157 5.091 -3.926 1.00 0.00 ? ? ? ? ? ? 20 SER A O 18 +ATOM 27520 C CB . SER A 1 23 ? -15.640 4.249 -6.060 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 18 +ATOM 27521 O OG . SER A 1 23 ? -16.011 3.285 -7.047 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 18 +ATOM 27522 H H . SER A 1 23 ? -16.096 2.145 -4.886 1.00 0.00 ? ? ? ? ? ? 20 SER A H 18 +ATOM 27523 H HA . SER A 1 23 ? -13.768 3.356 -5.610 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 18 +ATOM 27524 H HB2 . SER A 1 23 ? -16.524 4.572 -5.528 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 18 +ATOM 27525 H HB3 . SER A 1 23 ? -15.184 5.096 -6.551 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 18 +ATOM 27526 H HG . SER A 1 23 ? -15.702 3.636 -7.892 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 18 +ATOM 27527 N N . THR A 1 24 ? -15.199 4.943 -3.100 1.00 0.00 ? ? ? ? ? ? 21 THR A N 18 +ATOM 27528 C CA . THR A 1 24 ? -15.006 5.937 -2.053 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 18 +ATOM 27529 C C . THR A 1 24 ? -13.877 5.514 -1.098 1.00 0.00 ? ? ? ? ? ? 21 THR A C 18 +ATOM 27530 O O . THR A 1 24 ? -13.042 6.324 -0.699 1.00 0.00 ? ? ? ? ? ? 21 THR A O 18 +ATOM 27531 C CB . THR A 1 24 ? -16.326 6.117 -1.279 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 18 +ATOM 27532 O OG1 . THR A 1 24 ? -17.379 6.368 -2.231 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 18 +ATOM 27533 C CG2 . THR A 1 24 ? -16.255 7.283 -0.306 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 18 +ATOM 27534 H H . THR A 1 24 ? -16.046 4.454 -3.130 1.00 0.00 ? ? ? ? ? ? 21 THR A H 18 +ATOM 27535 H HA . THR A 1 24 ? -14.746 6.876 -2.520 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 18 +ATOM 27536 H HB . THR A 1 24 ? -16.538 5.205 -0.741 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 18 +ATOM 27537 H HG1 . THR A 1 24 ? -18.160 5.875 -1.951 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 18 +ATOM 27538 H HG21 . THR A 1 24 ? -15.436 7.131 0.382 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 18 +ATOM 27539 H HG22 . THR A 1 24 ? -17.183 7.336 0.243 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 18 +ATOM 27540 H HG23 . THR A 1 24 ? -16.111 8.201 -0.853 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 18 +ATOM 27541 N N . VAL A 1 25 ? -13.823 4.227 -0.813 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 18 +ATOM 27542 C CA . VAL A 1 25 ? -12.833 3.679 0.086 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 18 +ATOM 27543 C C . VAL A 1 25 ? -11.455 3.807 -0.542 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 18 +ATOM 27544 O O . VAL A 1 25 ? -10.504 4.296 0.082 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 18 +ATOM 27545 C CB . VAL A 1 25 ? -13.132 2.185 0.377 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 18 +ATOM 27546 C CG1 . VAL A 1 25 ? -12.056 1.573 1.250 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 18 +ATOM 27547 C CG2 . VAL A 1 25 ? -14.498 2.027 1.030 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 18 +ATOM 27548 H H . VAL A 1 25 ? -14.455 3.623 -1.254 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 18 +ATOM 27549 H HA . VAL A 1 25 ? -12.863 4.232 1.014 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 18 +ATOM 27550 H HB . VAL A 1 25 ? -13.142 1.654 -0.563 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 18 +ATOM 27551 H HG11 . VAL A 1 25 ? -12.013 2.102 2.190 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 18 +ATOM 27552 H HG12 . VAL A 1 25 ? -11.101 1.646 0.752 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 18 +ATOM 27553 H HG13 . VAL A 1 25 ? -12.289 0.535 1.436 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 18 +ATOM 27554 H HG21 . VAL A 1 25 ? -14.679 0.982 1.237 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 18 +ATOM 27555 H HG22 . VAL A 1 25 ? -15.261 2.400 0.364 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 18 +ATOM 27556 H HG23 . VAL A 1 25 ? -14.522 2.586 1.954 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 18 +ATOM 27557 N N . ARG A 1 26 ? -11.366 3.417 -1.788 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 18 +ATOM 27558 C CA . ARG A 1 26 ? -10.128 3.490 -2.495 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 18 +ATOM 27559 C C . ARG A 1 26 ? -9.697 4.940 -2.761 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 18 +ATOM 27560 O O . ARG A 1 26 ? -8.522 5.224 -2.765 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 18 +ATOM 27561 C CB . ARG A 1 26 ? -10.098 2.627 -3.751 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 18 +ATOM 27562 C CG . ARG A 1 26 ? -11.148 2.954 -4.759 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 18 +ATOM 27563 C CD . ARG A 1 26 ? -10.835 2.298 -6.067 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 18 +ATOM 27564 N NE . ARG A 1 26 ? -11.826 2.616 -7.088 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 18 +ATOM 27565 C CZ . ARG A 1 26 ? -12.552 1.715 -7.759 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 18 +ATOM 27566 N NH1 . ARG A 1 26 ? -12.434 0.408 -7.495 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 18 +ATOM 27567 N NH2 . ARG A 1 26 ? -13.404 2.126 -8.682 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 18 +ATOM 27568 H H . ARG A 1 26 ? -12.172 3.073 -2.237 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 18 +ATOM 27569 H HA . ARG A 1 26 ? -9.398 3.097 -1.799 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 18 +ATOM 27570 H HB2 . ARG A 1 26 ? -9.134 2.727 -4.226 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 18 +ATOM 27571 H HB3 . ARG A 1 26 ? -10.235 1.591 -3.465 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 18 +ATOM 27572 H HG2 . ARG A 1 26 ? -12.071 2.534 -4.384 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 18 +ATOM 27573 H HG3 . ARG A 1 26 ? -11.284 4.022 -4.866 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 18 +ATOM 27574 H HD2 . ARG A 1 26 ? -9.869 2.676 -6.373 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 18 +ATOM 27575 H HD3 . ARG A 1 26 ? -10.779 1.228 -5.928 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 18 +ATOM 27576 H HE . ARG A 1 26 ? -11.917 3.582 -7.264 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 18 +ATOM 27577 H HH11 . ARG A 1 26 ? -11.803 0.039 -6.801 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 18 +ATOM 27578 H HH12 . ARG A 1 26 ? -12.994 -0.272 -7.978 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 18 +ATOM 27579 H HH21 . ARG A 1 26 ? -13.525 3.098 -8.905 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 18 +ATOM 27580 H HH22 . ARG A 1 26 ? -13.988 1.497 -9.202 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 18 +ATOM 27581 N N . GLU A 1 27 ? -10.653 5.847 -3.005 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 18 +ATOM 27582 C CA . GLU A 1 27 ? -10.339 7.272 -3.216 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 18 +ATOM 27583 C C . GLU A 1 27 ? -9.594 7.855 -2.028 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 18 +ATOM 27584 O O . GLU A 1 27 ? -8.618 8.586 -2.204 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 18 +ATOM 27585 C CB . GLU A 1 27 ? -11.589 8.100 -3.496 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 18 +ATOM 27586 C CG . GLU A 1 27 ? -12.277 7.749 -4.790 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 18 +ATOM 27587 C CD . GLU A 1 27 ? -13.490 8.584 -5.055 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 18 +ATOM 27588 O OE1 . GLU A 1 27 ? -14.315 8.785 -4.143 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 18 +ATOM 27589 O OE2 . GLU A 1 27 ? -13.643 9.078 -6.189 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 18 +ATOM 27590 H H . GLU A 1 27 ? -11.592 5.558 -3.062 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 18 +ATOM 27591 H HA . GLU A 1 27 ? -9.686 7.325 -4.075 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 18 +ATOM 27592 H HB2 . GLU A 1 27 ? -12.292 7.924 -2.694 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 18 +ATOM 27593 H HB3 . GLU A 1 27 ? -11.325 9.148 -3.518 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 18 +ATOM 27594 H HG2 . GLU A 1 27 ? -11.582 7.884 -5.606 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 18 +ATOM 27595 H HG3 . GLU A 1 27 ? -12.573 6.710 -4.747 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 18 +ATOM 27596 N N . GLN A 1 28 ? -10.030 7.506 -0.831 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 18 +ATOM 27597 C CA . GLN A 1 28 ? -9.364 7.972 0.384 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 18 +ATOM 27598 C C . GLN A 1 28 ? -7.969 7.394 0.497 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 18 +ATOM 27599 O O . GLN A 1 28 ? -7.027 8.091 0.883 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 18 +ATOM 27600 C CB . GLN A 1 28 ? -10.186 7.671 1.636 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 18 +ATOM 27601 C CG . GLN A 1 28 ? -11.108 8.804 2.077 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 18 +ATOM 27602 C CD . GLN A 1 28 ? -12.055 9.294 1.000 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 18 +ATOM 27603 O OE1 . GLN A 1 28 ? -11.733 10.211 0.242 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 18 +ATOM 27604 N NE2 . GLN A 1 28 ? -13.212 8.714 0.927 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 18 +ATOM 27605 H H . GLN A 1 28 ? -10.817 6.919 -0.769 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 18 +ATOM 27606 H HA . GLN A 1 28 ? -9.265 9.043 0.283 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 18 +ATOM 27607 H HB2 . GLN A 1 28 ? -10.793 6.799 1.449 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 18 +ATOM 27608 H HB3 . GLN A 1 28 ? -9.508 7.453 2.448 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 18 +ATOM 27609 H HG2 . GLN A 1 28 ? -11.696 8.449 2.909 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 18 +ATOM 27610 H HG3 . GLN A 1 28 ? -10.498 9.632 2.408 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 18 +ATOM 27611 H HE21 . GLN A 1 28 ? -13.423 7.997 1.564 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 18 +ATOM 27612 H HE22 . GLN A 1 28 ? -13.817 9.008 0.215 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 18 +ATOM 27613 N N . LEU A 1 29 ? -7.833 6.140 0.128 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 18 +ATOM 27614 C CA . LEU A 1 29 ? -6.540 5.484 0.138 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 18 +ATOM 27615 C C . LEU A 1 29 ? -5.621 6.109 -0.902 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 18 +ATOM 27616 O O . LEU A 1 29 ? -4.444 6.333 -0.642 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 18 +ATOM 27617 C CB . LEU A 1 29 ? -6.698 3.990 -0.099 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 18 +ATOM 27618 C CG . LEU A 1 29 ? -7.445 3.218 0.997 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 18 +ATOM 27619 C CD1 . LEU A 1 29 ? -7.592 1.769 0.617 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 18 +ATOM 27620 C CD2 . LEU A 1 29 ? -6.724 3.338 2.337 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 18 +ATOM 27621 H H . LEU A 1 29 ? -8.633 5.639 -0.146 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 18 +ATOM 27622 H HA . LEU A 1 29 ? -6.101 5.642 1.111 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 18 +ATOM 27623 H HB2 . LEU A 1 29 ? -7.236 3.872 -1.029 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 18 +ATOM 27624 H HB3 . LEU A 1 29 ? -5.714 3.563 -0.220 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 18 +ATOM 27625 H HG . LEU A 1 29 ? -8.439 3.625 1.110 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 18 +ATOM 27626 H HD11 . LEU A 1 29 ? -6.614 1.330 0.482 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 18 +ATOM 27627 H HD12 . LEU A 1 29 ? -8.152 1.693 -0.303 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 18 +ATOM 27628 H HD13 . LEU A 1 29 ? -8.116 1.242 1.400 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 18 +ATOM 27629 H HD21 . LEU A 1 29 ? -6.699 4.372 2.649 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 18 +ATOM 27630 H HD22 . LEU A 1 29 ? -5.713 2.973 2.234 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 18 +ATOM 27631 H HD23 . LEU A 1 29 ? -7.244 2.747 3.077 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 18 +ATOM 27632 N N . LYS A 1 30 ? -6.181 6.409 -2.068 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 18 +ATOM 27633 C CA . LYS A 1 30 ? -5.469 7.089 -3.142 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 18 +ATOM 27634 C C . LYS A 1 30 ? -4.904 8.424 -2.646 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 18 +ATOM 27635 O O . LYS A 1 30 ? -3.750 8.738 -2.899 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 18 +ATOM 27636 C CB . LYS A 1 30 ? -6.418 7.374 -4.304 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 18 +ATOM 27637 C CG . LYS A 1 30 ? -5.766 8.121 -5.462 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 18 +ATOM 27638 C CD . LYS A 1 30 ? -6.791 8.747 -6.403 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 18 +ATOM 27639 C CE . LYS A 1 30 ? -7.597 9.840 -5.696 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 18 +ATOM 27640 N NZ . LYS A 1 30 ? -8.486 10.560 -6.620 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 18 +ATOM 27641 H H . LYS A 1 30 ? -7.110 6.117 -2.216 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 18 +ATOM 27642 H HA . LYS A 1 30 ? -4.667 6.456 -3.490 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 18 +ATOM 27643 H HB2 . LYS A 1 30 ? -6.801 6.434 -4.673 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 18 +ATOM 27644 H HB3 . LYS A 1 30 ? -7.240 7.962 -3.928 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 18 +ATOM 27645 H HG2 . LYS A 1 30 ? -5.152 8.907 -5.048 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 18 +ATOM 27646 H HG3 . LYS A 1 30 ? -5.145 7.433 -6.015 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 18 +ATOM 27647 H HD2 . LYS A 1 30 ? -6.277 9.182 -7.248 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 18 +ATOM 27648 H HD3 . LYS A 1 30 ? -7.465 7.978 -6.750 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 18 +ATOM 27649 H HE2 . LYS A 1 30 ? -8.205 9.395 -4.923 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 18 +ATOM 27650 H HE3 . LYS A 1 30 ? -6.905 10.539 -5.250 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 18 +ATOM 27651 H HZ1 . LYS A 1 30 ? -7.921 11.074 -7.328 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 18 +ATOM 27652 H HZ2 . LYS A 1 30 ? -9.067 11.266 -6.129 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 18 +ATOM 27653 H HZ3 . LYS A 1 30 ? -9.129 9.932 -7.141 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 18 +ATOM 27654 N N . LYS A 1 31 ? -5.725 9.176 -1.910 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 18 +ATOM 27655 C CA . LYS A 1 31 ? -5.317 10.476 -1.349 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 18 +ATOM 27656 C C . LYS A 1 31 ? -4.148 10.297 -0.416 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 18 +ATOM 27657 O O . LYS A 1 31 ? -3.203 11.089 -0.415 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 18 +ATOM 27658 C CB . LYS A 1 31 ? -6.470 11.130 -0.594 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 18 +ATOM 27659 C CG . LYS A 1 31 ? -7.648 11.514 -1.458 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 18 +ATOM 27660 C CD . LYS A 1 31 ? -8.796 12.008 -0.606 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 18 +ATOM 27661 C CE . LYS A 1 31 ? -9.982 12.397 -1.456 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 18 +ATOM 27662 N NZ . LYS A 1 31 ? -11.158 12.719 -0.633 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 18 +ATOM 27663 H H . LYS A 1 31 ? -6.636 8.846 -1.746 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 18 +ATOM 27664 H HA . LYS A 1 31 ? -5.021 11.117 -2.167 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 18 +ATOM 27665 H HB2 . LYS A 1 31 ? -6.820 10.443 0.163 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 18 +ATOM 27666 H HB3 . LYS A 1 31 ? -6.100 12.022 -0.111 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 18 +ATOM 27667 H HG2 . LYS A 1 31 ? -7.347 12.296 -2.139 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 18 +ATOM 27668 H HG3 . LYS A 1 31 ? -7.970 10.647 -2.017 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 18 +ATOM 27669 H HD2 . LYS A 1 31 ? -9.095 11.225 0.074 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 18 +ATOM 27670 H HD3 . LYS A 1 31 ? -8.469 12.869 -0.043 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 18 +ATOM 27671 H HE2 . LYS A 1 31 ? -9.720 13.264 -2.044 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 18 +ATOM 27672 H HE3 . LYS A 1 31 ? -10.222 11.572 -2.112 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 18 +ATOM 27673 H HZ1 . LYS A 1 31 ? -11.436 11.872 -0.091 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 18 +ATOM 27674 H HZ2 . LYS A 1 31 ? -11.966 12.987 -1.231 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 18 +ATOM 27675 H HZ3 . LYS A 1 31 ? -10.956 13.488 0.035 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 18 +ATOM 27676 N N . LYS A 1 32 ? -4.201 9.225 0.351 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 18 +ATOM 27677 C CA . LYS A 1 32 ? -3.141 8.890 1.265 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 18 +ATOM 27678 C C . LYS A 1 32 ? -1.870 8.557 0.553 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 18 +ATOM 27679 O O . LYS A 1 32 ? -0.799 8.916 1.005 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 18 +ATOM 27680 C CB . LYS A 1 32 ? -3.528 7.785 2.227 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 18 +ATOM 27681 C CG . LYS A 1 32 ? -4.053 8.281 3.559 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 18 +ATOM 27682 C CD . LYS A 1 32 ? -5.285 9.127 3.418 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 18 +ATOM 27683 C CE . LYS A 1 32 ? -5.696 9.676 4.753 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 18 +ATOM 27684 N NZ . LYS A 1 32 ? -4.663 10.576 5.321 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 18 +ATOM 27685 H H . LYS A 1 32 ? -4.992 8.645 0.294 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 18 +ATOM 27686 H HA . LYS A 1 32 ? -2.962 9.786 1.832 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 18 +ATOM 27687 H HB2 . LYS A 1 32 ? -4.290 7.177 1.764 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 18 +ATOM 27688 H HB3 . LYS A 1 32 ? -2.655 7.177 2.402 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 18 +ATOM 27689 H HG2 . LYS A 1 32 ? -4.296 7.433 4.180 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 18 +ATOM 27690 H HG3 . LYS A 1 32 ? -3.279 8.862 4.040 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 18 +ATOM 27691 H HD2 . LYS A 1 32 ? -5.078 9.945 2.743 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 18 +ATOM 27692 H HD3 . LYS A 1 32 ? -6.086 8.520 3.022 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 18 +ATOM 27693 H HE2 . LYS A 1 32 ? -6.632 10.200 4.643 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 18 +ATOM 27694 H HE3 . LYS A 1 32 ? -5.811 8.822 5.407 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 18 +ATOM 27695 H HZ1 . LYS A 1 32 ? -3.833 10.032 5.628 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 18 +ATOM 27696 H HZ2 . LYS A 1 32 ? -5.027 11.132 6.120 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 18 +ATOM 27697 H HZ3 . LYS A 1 32 ? -4.329 11.247 4.591 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 18 +ATOM 27698 N N . LEU A 1 33 ? -1.992 7.898 -0.558 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 18 +ATOM 27699 C CA . LEU A 1 33 ? -0.851 7.560 -1.359 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 18 +ATOM 27700 C C . LEU A 1 33 ? -0.229 8.824 -1.915 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 18 +ATOM 27701 O O . LEU A 1 33 ? 0.975 8.989 -1.892 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 18 +ATOM 27702 C CB . LEU A 1 33 ? -1.259 6.624 -2.488 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 18 +ATOM 27703 C CG . LEU A 1 33 ? -1.901 5.311 -2.048 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 18 +ATOM 27704 C CD1 . LEU A 1 33 ? -2.334 4.502 -3.246 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 18 +ATOM 27705 C CD2 . LEU A 1 33 ? -0.953 4.512 -1.167 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 18 +ATOM 27706 H H . LEU A 1 33 ? -2.889 7.613 -0.839 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 18 +ATOM 27707 H HA . LEU A 1 33 ? -0.136 7.057 -0.725 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 18 +ATOM 27708 H HB2 . LEU A 1 33 ? -1.956 7.151 -3.123 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 18 +ATOM 27709 H HB3 . LEU A 1 33 ? -0.375 6.391 -3.062 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 18 +ATOM 27710 H HG . LEU A 1 33 ? -2.786 5.537 -1.472 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 18 +ATOM 27711 H HD11 . LEU A 1 33 ? -2.776 3.572 -2.915 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 18 +ATOM 27712 H HD12 . LEU A 1 33 ? -1.476 4.299 -3.868 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 18 +ATOM 27713 H HD13 . LEU A 1 33 ? -3.061 5.062 -3.815 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 18 +ATOM 27714 H HD21 . LEU A 1 33 ? -1.415 3.571 -0.914 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 18 +ATOM 27715 H HD22 . LEU A 1 33 ? -0.756 5.067 -0.262 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 18 +ATOM 27716 H HD23 . LEU A 1 33 ? -0.025 4.333 -1.690 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 18 +ATOM 27717 N N . VAL A 1 34 ? -1.077 9.738 -2.349 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 18 +ATOM 27718 C CA . VAL A 1 34 ? -0.634 10.995 -2.925 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 18 +ATOM 27719 C C . VAL A 1 34 ? 0.093 11.861 -1.878 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 18 +ATOM 27720 O O . VAL A 1 34 ? 1.174 12.412 -2.162 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 18 +ATOM 27721 C CB . VAL A 1 34 ? -1.828 11.786 -3.541 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 18 +ATOM 27722 C CG1 . VAL A 1 34 ? -1.383 13.116 -4.113 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 18 +ATOM 27723 C CG2 . VAL A 1 34 ? -2.509 10.968 -4.618 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 18 +ATOM 27724 H H . VAL A 1 34 ? -2.039 9.552 -2.276 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 18 +ATOM 27725 H HA . VAL A 1 34 ? 0.062 10.750 -3.714 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 18 +ATOM 27726 H HB . VAL A 1 34 ? -2.552 11.979 -2.764 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 18 +ATOM 27727 H HG11 . VAL A 1 34 ? -0.651 12.949 -4.889 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 18 +ATOM 27728 H HG12 . VAL A 1 34 ? -0.949 13.704 -3.318 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 18 +ATOM 27729 H HG13 . VAL A 1 34 ? -2.243 13.625 -4.520 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 18 +ATOM 27730 H HG21 . VAL A 1 34 ? -3.325 11.535 -5.039 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 18 +ATOM 27731 H HG22 . VAL A 1 34 ? -2.894 10.069 -4.156 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 18 +ATOM 27732 H HG23 . VAL A 1 34 ? -1.796 10.712 -5.387 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 18 +ATOM 27733 N N . GLU A 1 35 ? -0.473 11.955 -0.670 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 18 +ATOM 27734 C CA . GLU A 1 35 ? 0.164 12.723 0.389 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 18 +ATOM 27735 C C . GLU A 1 35 ? 1.454 12.041 0.861 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 18 +ATOM 27736 O O . GLU A 1 35 ? 2.509 12.683 0.958 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 18 +ATOM 27737 C CB . GLU A 1 35 ? -0.786 13.015 1.588 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 18 +ATOM 27738 C CG . GLU A 1 35 ? -1.343 11.781 2.270 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 18 +ATOM 27739 C CD . GLU A 1 35 ? -2.087 12.056 3.561 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 18 +ATOM 27740 O OE1 . GLU A 1 35 ? -1.437 12.125 4.630 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 18 +ATOM 27741 O OE2 . GLU A 1 35 ? -3.338 12.164 3.551 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 18 +ATOM 27742 H H . GLU A 1 35 ? -1.340 11.519 -0.508 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 18 +ATOM 27743 H HA . GLU A 1 35 ? 0.438 13.661 -0.070 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 18 +ATOM 27744 H HB2 . GLU A 1 35 ? -0.253 13.594 2.327 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 18 +ATOM 27745 H HB3 . GLU A 1 35 ? -1.616 13.599 1.218 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 18 +ATOM 27746 H HG2 . GLU A 1 35 ? -2.032 11.349 1.562 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 18 +ATOM 27747 H HG3 . GLU A 1 35 ? -0.535 11.088 2.454 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 18 +ATOM 27748 N N . VAL A 1 36 ? 1.384 10.726 1.042 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 18 +ATOM 27749 C CA . VAL A 1 36 ? 2.468 9.950 1.608 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 18 +ATOM 27750 C C . VAL A 1 36 ? 3.722 9.997 0.745 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 18 +ATOM 27751 O O . VAL A 1 36 ? 4.789 9.915 1.253 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 18 +ATOM 27752 C CB . VAL A 1 36 ? 2.076 8.479 1.960 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 18 +ATOM 27753 C CG1 . VAL A 1 36 ? 2.204 7.514 0.780 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 18 +ATOM 27754 C CG2 . VAL A 1 36 ? 2.830 7.994 3.187 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 18 +ATOM 27755 H H . VAL A 1 36 ? 0.559 10.252 0.793 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 18 +ATOM 27756 H HA . VAL A 1 36 ? 2.722 10.456 2.530 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 18 +ATOM 27757 H HB . VAL A 1 36 ? 1.025 8.502 2.212 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 18 +ATOM 27758 H HG11 . VAL A 1 36 ? 1.877 6.528 1.075 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 18 +ATOM 27759 H HG12 . VAL A 1 36 ? 3.238 7.472 0.473 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 18 +ATOM 27760 H HG13 . VAL A 1 36 ? 1.605 7.870 -0.045 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 18 +ATOM 27761 H HG21 . VAL A 1 36 ? 2.629 6.947 3.360 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 18 +ATOM 27762 H HG22 . VAL A 1 36 ? 2.500 8.564 4.043 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 18 +ATOM 27763 H HG23 . VAL A 1 36 ? 3.887 8.152 3.049 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 18 +ATOM 27764 N N . LEU A 1 37 ? 3.564 10.146 -0.563 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 18 +ATOM 27765 C CA . LEU A 1 37 ? 4.686 10.143 -1.512 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 18 +ATOM 27766 C C . LEU A 1 37 ? 5.800 11.147 -1.174 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 18 +ATOM 27767 O O . LEU A 1 37 ? 6.945 10.935 -1.581 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 18 +ATOM 27768 C CB . LEU A 1 37 ? 4.205 10.345 -2.954 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 18 +ATOM 27769 C CG . LEU A 1 37 ? 3.386 9.204 -3.560 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 18 +ATOM 27770 C CD1 . LEU A 1 37 ? 2.909 9.564 -4.954 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 18 +ATOM 27771 C CD2 . LEU A 1 37 ? 4.191 7.913 -3.588 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 18 +ATOM 27772 H H . LEU A 1 37 ? 2.653 10.244 -0.911 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 18 +ATOM 27773 H HA . LEU A 1 37 ? 5.128 9.159 -1.447 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 18 +ATOM 27774 H HB2 . LEU A 1 37 ? 3.600 11.239 -2.978 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 18 +ATOM 27775 H HB3 . LEU A 1 37 ? 5.067 10.509 -3.582 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 18 +ATOM 27776 H HG . LEU A 1 37 ? 2.510 9.042 -2.949 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 18 +ATOM 27777 H HD11 . LEU A 1 37 ? 3.762 9.743 -5.591 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 18 +ATOM 27778 H HD12 . LEU A 1 37 ? 2.297 10.452 -4.908 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 18 +ATOM 27779 H HD13 . LEU A 1 37 ? 2.325 8.750 -5.356 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 18 +ATOM 27780 H HD21 . LEU A 1 37 ? 4.422 7.600 -2.582 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 18 +ATOM 27781 H HD22 . LEU A 1 37 ? 5.111 8.082 -4.129 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 18 +ATOM 27782 H HD23 . LEU A 1 37 ? 3.624 7.144 -4.088 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 18 +ATOM 27783 N N . GLU A 1 38 ? 5.481 12.231 -0.455 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 18 +ATOM 27784 C CA . GLU A 1 38 ? 6.523 13.195 -0.068 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 18 +ATOM 27785 C C . GLU A 1 38 ? 7.444 12.600 1.013 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 18 +ATOM 27786 O O . GLU A 1 38 ? 8.619 12.966 1.127 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 18 +ATOM 27787 C CB . GLU A 1 38 ? 5.922 14.524 0.412 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 18 +ATOM 27788 C CG . GLU A 1 38 ? 5.029 14.416 1.636 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 18 +ATOM 27789 C CD . GLU A 1 38 ? 4.483 15.745 2.062 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 18 +ATOM 27790 O OE1 . GLU A 1 38 ? 3.532 16.240 1.421 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 18 +ATOM 27791 O OE2 . GLU A 1 38 ? 4.985 16.326 3.055 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 18 +ATOM 27792 H H . GLU A 1 38 ? 4.549 12.365 -0.167 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 18 +ATOM 27793 H HA . GLU A 1 38 ? 7.125 13.372 -0.948 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 18 +ATOM 27794 H HB2 . GLU A 1 38 ? 6.732 15.196 0.656 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 18 +ATOM 27795 H HB3 . GLU A 1 38 ? 5.347 14.955 -0.393 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 18 +ATOM 27796 H HG2 . GLU A 1 38 ? 4.201 13.760 1.410 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 18 +ATOM 27797 H HG3 . GLU A 1 38 ? 5.607 13.999 2.449 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 18 +ATOM 27798 N N . SER A 1 39 ? 6.905 11.692 1.797 1.00 0.00 ? ? ? ? ? ? 36 SER A N 18 +ATOM 27799 C CA . SER A 1 39 ? 7.627 11.015 2.848 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 18 +ATOM 27800 C C . SER A 1 39 ? 6.997 9.634 3.084 1.00 0.00 ? ? ? ? ? ? 36 SER A C 18 +ATOM 27801 O O . SER A 1 39 ? 6.254 9.445 4.019 1.00 0.00 ? ? ? ? ? ? 36 SER A O 18 +ATOM 27802 C CB . SER A 1 39 ? 7.618 11.848 4.144 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 18 +ATOM 27803 O OG . SER A 1 39 ? 8.192 13.149 3.935 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 18 +ATOM 27804 H H . SER A 1 39 ? 5.970 11.421 1.653 1.00 0.00 ? ? ? ? ? ? 36 SER A H 18 +ATOM 27805 H HA . SER A 1 39 ? 8.642 10.870 2.521 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 18 +ATOM 27806 H HB2 . SER A 1 39 ? 6.601 11.970 4.485 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 18 +ATOM 27807 H HB3 . SER A 1 39 ? 8.191 11.333 4.902 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 18 +ATOM 27808 H HG . SER A 1 39 ? 8.695 13.058 3.113 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 18 +ATOM 27809 N N . PRO A 1 40 ? 7.221 8.668 2.167 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 18 +ATOM 27810 C CA . PRO A 1 40 ? 6.605 7.341 2.268 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 18 +ATOM 27811 C C . PRO A 1 40 ? 7.246 6.482 3.334 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 18 +ATOM 27812 O O . PRO A 1 40 ? 6.689 5.469 3.748 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 18 +ATOM 27813 C CB . PRO A 1 40 ? 6.829 6.740 0.881 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 18 +ATOM 27814 C CG . PRO A 1 40 ? 8.055 7.410 0.383 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 18 +ATOM 27815 C CD . PRO A 1 40 ? 8.021 8.808 0.938 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 18 +ATOM 27816 H HA . PRO A 1 40 ? 5.547 7.409 2.465 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 18 +ATOM 27817 H HB2 . PRO A 1 40 ? 6.961 5.672 0.962 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 18 +ATOM 27818 H HB3 . PRO A 1 40 ? 5.980 6.955 0.248 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 18 +ATOM 27819 H HG2 . PRO A 1 40 ? 8.929 6.886 0.742 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 18 +ATOM 27820 H HG3 . PRO A 1 40 ? 8.050 7.435 -0.696 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 18 +ATOM 27821 H HD2 . PRO A 1 40 ? 9.016 9.167 1.158 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 18 +ATOM 27822 H HD3 . PRO A 1 40 ? 7.515 9.472 0.250 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 18 +ATOM 27823 N N . ARG A 1 41 ? 8.389 6.919 3.805 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 18 +ATOM 27824 C CA . ARG A 1 41 ? 9.153 6.193 4.781 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 18 +ATOM 27825 C C . ARG A 1 41 ? 8.735 6.528 6.219 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 18 +ATOM 27826 O O . ARG A 1 41 ? 9.541 6.552 7.124 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 18 +ATOM 27827 C CB . ARG A 1 41 ? 10.678 6.354 4.507 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 18 +ATOM 27828 C CG . ARG A 1 41 ? 11.252 7.789 4.405 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 18 +ATOM 27829 C CD . ARG A 1 41 ? 11.403 8.478 5.760 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 18 +ATOM 27830 N NE . ARG A 1 41 ? 12.188 7.653 6.703 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 18 +ATOM 27831 C CZ . ARG A 1 41 ? 12.141 7.756 8.046 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 18 +ATOM 27832 N NH1 . ARG A 1 41 ? 11.520 8.790 8.627 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 18 +ATOM 27833 N NH2 . ARG A 1 41 ? 12.738 6.835 8.801 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 18 +ATOM 27834 H H . ARG A 1 41 ? 8.719 7.781 3.477 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 18 +ATOM 27835 H HA . ARG A 1 41 ? 8.898 5.154 4.629 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 18 +ATOM 27836 H HB2 . ARG A 1 41 ? 11.214 5.859 5.301 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 18 +ATOM 27837 H HB3 . ARG A 1 41 ? 10.897 5.838 3.583 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 18 +ATOM 27838 H HG2 . ARG A 1 41 ? 12.218 7.751 3.927 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 18 +ATOM 27839 H HG3 . ARG A 1 41 ? 10.584 8.370 3.788 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 18 +ATOM 27840 H HD2 . ARG A 1 41 ? 11.895 9.428 5.611 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 18 +ATOM 27841 H HD3 . ARG A 1 41 ? 10.416 8.642 6.167 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 18 +ATOM 27842 H HE . ARG A 1 41 ? 12.712 6.939 6.275 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 18 +ATOM 27843 H HH11 . ARG A 1 41 ? 11.080 9.507 8.079 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 18 +ATOM 27844 H HH12 . ARG A 1 41 ? 11.470 8.888 9.623 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 18 +ATOM 27845 H HH21 . ARG A 1 41 ? 13.239 6.060 8.410 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 18 +ATOM 27846 H HH22 . ARG A 1 41 ? 12.676 6.857 9.811 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 18 +ATOM 27847 N N . ILE A 1 42 ? 7.452 6.641 6.441 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 18 +ATOM 27848 C CA . ILE A 1 42 ? 6.962 6.979 7.756 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 18 +ATOM 27849 C C . ILE A 1 42 ? 6.956 5.722 8.601 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 18 +ATOM 27850 O O . ILE A 1 42 ? 6.069 4.875 8.497 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 18 +ATOM 27851 C CB . ILE A 1 42 ? 5.549 7.637 7.702 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 18 +ATOM 27852 C CG1 . ILE A 1 42 ? 5.647 8.968 6.952 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 18 +ATOM 27853 C CG2 . ILE A 1 42 ? 4.986 7.854 9.108 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 18 +ATOM 27854 C CD1 . ILE A 1 42 ? 4.326 9.659 6.694 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 18 +ATOM 27855 H H . ILE A 1 42 ? 6.828 6.465 5.705 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 18 +ATOM 27856 H HA . ILE A 1 42 ? 7.667 7.674 8.192 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 18 +ATOM 27857 H HB . ILE A 1 42 ? 4.884 6.983 7.158 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 18 +ATOM 27858 H HG12 . ILE A 1 42 ? 6.256 9.649 7.529 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 18 +ATOM 27859 H HG13 . ILE A 1 42 ? 6.128 8.797 6.000 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 18 +ATOM 27860 H HG21 . ILE A 1 42 ? 4.001 8.293 9.038 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 18 +ATOM 27861 H HG22 . ILE A 1 42 ? 5.638 8.522 9.650 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 18 +ATOM 27862 H HG23 . ILE A 1 42 ? 4.929 6.907 9.625 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 18 +ATOM 27863 H HD11 . ILE A 1 42 ? 3.842 9.899 7.628 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 18 +ATOM 27864 H HD12 . ILE A 1 42 ? 3.694 9.008 6.107 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 18 +ATOM 27865 H HD13 . ILE A 1 42 ? 4.523 10.563 6.136 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 18 +ATOM 27866 N N . GLU A 1 43 ? 8.006 5.612 9.397 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 18 +ATOM 27867 C CA . GLU A 1 43 ? 8.321 4.463 10.237 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 18 +ATOM 27868 C C . GLU A 1 43 ? 7.207 4.068 11.205 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 18 +ATOM 27869 O O . GLU A 1 43 ? 7.161 2.938 11.664 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 18 +ATOM 27870 C CB . GLU A 1 43 ? 9.675 4.674 10.934 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 18 +ATOM 27871 C CG . GLU A 1 43 ? 9.822 6.024 11.624 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 18 +ATOM 27872 C CD . GLU A 1 43 ? 11.209 6.252 12.166 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 18 +ATOM 27873 O OE1 . GLU A 1 43 ? 12.110 6.657 11.394 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 18 +ATOM 27874 O OE2 . GLU A 1 43 ? 11.437 6.032 13.363 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 18 +ATOM 27875 H H . GLU A 1 43 ? 8.637 6.364 9.394 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 18 +ATOM 27876 H HA . GLU A 1 43 ? 8.438 3.634 9.555 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 18 +ATOM 27877 H HB2 . GLU A 1 43 ? 9.803 3.903 11.681 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 18 +ATOM 27878 H HB3 . GLU A 1 43 ? 10.464 4.581 10.201 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 18 +ATOM 27879 H HG2 . GLU A 1 43 ? 9.606 6.803 10.909 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 18 +ATOM 27880 H HG3 . GLU A 1 43 ? 9.113 6.079 12.438 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 18 +ATOM 27881 N N . ALA A 1 44 ? 6.292 4.979 11.470 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 18 +ATOM 27882 C CA . ALA A 1 44 ? 5.135 4.683 12.315 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 18 +ATOM 27883 C C . ALA A 1 44 ? 4.204 3.700 11.599 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 18 +ATOM 27884 O O . ALA A 1 44 ? 3.488 2.909 12.228 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 18 +ATOM 27885 C CB . ALA A 1 44 ? 4.392 5.965 12.663 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 18 +ATOM 27886 H H . ALA A 1 44 ? 6.419 5.871 11.088 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 18 +ATOM 27887 H HA . ALA A 1 44 ? 5.489 4.221 13.225 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 18 +ATOM 27888 H HB1 . ALA A 1 44 ? 3.562 5.737 13.316 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 18 +ATOM 27889 H HB2 . ALA A 1 44 ? 4.020 6.424 11.759 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 18 +ATOM 27890 H HB3 . ALA A 1 44 ? 5.065 6.647 13.162 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 18 +ATOM 27891 N N . ASN A 1 45 ? 4.269 3.717 10.281 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 18 +ATOM 27892 C CA . ASN A 1 45 ? 3.436 2.878 9.433 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 18 +ATOM 27893 C C . ASN A 1 45 ? 4.192 1.653 8.983 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 18 +ATOM 27894 O O . ASN A 1 45 ? 3.636 0.808 8.296 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 18 +ATOM 27895 C CB . ASN A 1 45 ? 2.981 3.640 8.179 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 18 +ATOM 27896 C CG . ASN A 1 45 ? 2.078 4.819 8.457 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 18 +ATOM 27897 O OD1 . ASN A 1 45 ? 1.330 4.842 9.437 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 18 +ATOM 27898 N ND2 . ASN A 1 45 ? 2.126 5.799 7.592 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 18 +ATOM 27899 H H . ASN A 1 45 ? 4.918 4.309 9.839 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 18 +ATOM 27900 H HA . ASN A 1 45 ? 2.558 2.562 9.978 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 18 +ATOM 27901 H HB2 . ASN A 1 45 ? 3.854 4.012 7.665 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 18 +ATOM 27902 H HB3 . ASN A 1 45 ? 2.458 2.955 7.529 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 18 +ATOM 27903 H HD21 . ASN A 1 45 ? 2.735 5.714 6.830 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 18 +ATOM 27904 H HD22 . ASN A 1 45 ? 1.533 6.572 7.714 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 18 +ATOM 27905 N N . LYS A 1 46 ? 5.452 1.539 9.372 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 18 +ATOM 27906 C CA . LYS A 1 46 ? 6.264 0.474 8.947 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 18 +ATOM 27907 C C . LYS A 1 46 ? 5.842 -0.822 9.617 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 18 +ATOM 27908 O O . LYS A 1 46 ? 5.442 -0.838 10.794 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 18 +ATOM 27909 C CB . LYS A 1 46 ? 7.724 0.816 9.216 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 18 +ATOM 27910 C CG . LYS A 1 46 ? 8.666 -0.190 8.673 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 18 +ATOM 27911 C CD . LYS A 1 46 ? 10.115 0.266 8.753 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 18 +ATOM 27912 C CE . LYS A 1 46 ? 11.057 -0.792 8.180 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 18 +ATOM 27913 N NZ . LYS A 1 46 ? 12.465 -0.348 8.181 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 18 +ATOM 27914 H H . LYS A 1 46 ? 5.902 2.151 9.985 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 18 +ATOM 27915 H HA . LYS A 1 46 ? 6.136 0.368 7.880 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 18 +ATOM 27916 H HB2 . LYS A 1 46 ? 7.943 1.767 8.755 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 18 +ATOM 27917 H HB3 . LYS A 1 46 ? 7.874 0.892 10.282 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 18 +ATOM 27918 H HG2 . LYS A 1 46 ? 8.500 -1.077 9.262 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 18 +ATOM 27919 H HG3 . LYS A 1 46 ? 8.357 -0.336 7.650 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 18 +ATOM 27920 H HD2 . LYS A 1 46 ? 10.221 1.183 8.191 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 18 +ATOM 27921 H HD3 . LYS A 1 46 ? 10.371 0.452 9.785 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 18 +ATOM 27922 H HE2 . LYS A 1 46 ? 10.977 -1.689 8.776 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 18 +ATOM 27923 H HE3 . LYS A 1 46 ? 10.757 -1.009 7.164 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 18 +ATOM 27924 H HZ1 . LYS A 1 46 ? 12.588 0.481 7.565 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 18 +ATOM 27925 H HZ2 . LYS A 1 46 ? 13.091 -1.103 7.836 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 18 +ATOM 27926 H HZ3 . LYS A 1 46 ? 12.760 -0.081 9.142 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 18 +ATOM 27927 N N . LEU A 1 47 ? 5.900 -1.885 8.862 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 18 +ATOM 27928 C CA . LEU A 1 47 ? 5.505 -3.185 9.336 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 18 +ATOM 27929 C C . LEU A 1 47 ? 6.589 -3.831 10.181 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 18 +ATOM 27930 O O . LEU A 1 47 ? 7.693 -3.293 10.328 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 18 +ATOM 27931 C CB . LEU A 1 47 ? 5.118 -4.100 8.171 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 18 +ATOM 27932 C CG . LEU A 1 47 ? 3.937 -3.648 7.319 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 18 +ATOM 27933 C CD1 . LEU A 1 47 ? 3.589 -4.698 6.290 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 18 +ATOM 27934 C CD2 . LEU A 1 47 ? 2.744 -3.355 8.185 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 18 +ATOM 27935 H H . LEU A 1 47 ? 6.229 -1.767 7.943 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 18 +ATOM 27936 H HA . LEU A 1 47 ? 4.635 -3.051 9.962 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 18 +ATOM 27937 H HB2 . LEU A 1 47 ? 5.977 -4.185 7.522 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 18 +ATOM 27938 H HB3 . LEU A 1 47 ? 4.893 -5.077 8.568 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 18 +ATOM 27939 H HG . LEU A 1 47 ? 4.204 -2.743 6.793 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 18 +ATOM 27940 H HD11 . LEU A 1 47 ? 3.352 -5.624 6.794 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 18 +ATOM 27941 H HD12 . LEU A 1 47 ? 4.416 -4.845 5.612 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 18 +ATOM 27942 H HD13 . LEU A 1 47 ? 2.721 -4.366 5.741 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 18 +ATOM 27943 H HD21 . LEU A 1 47 ? 2.525 -4.220 8.788 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 18 +ATOM 27944 H HD22 . LEU A 1 47 ? 1.897 -3.134 7.554 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 18 +ATOM 27945 H HD23 . LEU A 1 47 ? 2.950 -2.507 8.822 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 18 +ATOM 27946 N N . ARG A 1 48 ? 6.271 -4.986 10.703 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 18 +ATOM 27947 C CA . ARG A 1 48 ? 7.142 -5.724 11.579 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 18 +ATOM 27948 C C . ARG A 1 48 ? 7.641 -6.966 10.852 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 18 +ATOM 27949 O O . ARG A 1 48 ? 6.837 -7.781 10.399 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 18 +ATOM 27950 C CB . ARG A 1 48 ? 6.343 -6.100 12.835 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 18 +ATOM 27951 C CG . ARG A 1 48 ? 7.105 -6.848 13.914 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 18 +ATOM 27952 C CD . ARG A 1 48 ? 6.209 -7.075 15.127 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 18 +ATOM 27953 N NE . ARG A 1 48 ? 5.808 -5.797 15.749 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 18 +ATOM 27954 C CZ . ARG A 1 48 ? 4.542 -5.378 15.968 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 18 +ATOM 27955 N NH1 . ARG A 1 48 ? 3.494 -6.155 15.669 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 18 +ATOM 27956 N NH2 . ARG A 1 48 ? 4.343 -4.186 16.519 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 18 +ATOM 27957 H H . ARG A 1 48 ? 5.406 -5.390 10.480 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 18 +ATOM 27958 H HA . ARG A 1 48 ? 7.977 -5.102 11.862 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 18 +ATOM 27959 H HB2 . ARG A 1 48 ? 5.959 -5.193 13.278 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 18 +ATOM 27960 H HB3 . ARG A 1 48 ? 5.504 -6.708 12.530 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 18 +ATOM 27961 H HG2 . ARG A 1 48 ? 7.436 -7.796 13.521 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 18 +ATOM 27962 H HG3 . ARG A 1 48 ? 7.963 -6.264 14.210 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 18 +ATOM 27963 H HD2 . ARG A 1 48 ? 5.328 -7.610 14.809 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 18 +ATOM 27964 H HD3 . ARG A 1 48 ? 6.749 -7.666 15.853 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 18 +ATOM 27965 H HE . ARG A 1 48 ? 6.560 -5.218 16.017 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 18 +ATOM 27966 H HH11 . ARG A 1 48 ? 3.597 -7.075 15.278 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 18 +ATOM 27967 H HH12 . ARG A 1 48 ? 2.542 -5.872 15.821 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 18 +ATOM 27968 H HH21 . ARG A 1 48 ? 5.118 -3.602 16.779 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 18 +ATOM 27969 H HH22 . ARG A 1 48 ? 3.432 -3.800 16.689 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 18 +ATOM 27970 N N . GLY A 1 49 ? 8.943 -7.074 10.696 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 18 +ATOM 27971 C CA . GLY A 1 49 ? 9.524 -8.219 10.027 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 18 +ATOM 27972 C C . GLY A 1 49 ? 9.420 -8.113 8.525 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 18 +ATOM 27973 O O . GLY A 1 49 ? 9.377 -9.129 7.822 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 18 +ATOM 27974 H H . GLY A 1 49 ? 9.530 -6.366 11.040 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 18 +ATOM 27975 H HA2 . GLY A 1 49 ? 10.563 -8.306 10.303 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 18 +ATOM 27976 H HA3 . GLY A 1 49 ? 9.005 -9.110 10.346 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 18 +ATOM 27977 N N . MET A 1 50 ? 9.395 -6.895 8.025 1.00 0.00 ? ? ? ? ? ? 47 MET A N 18 +ATOM 27978 C CA . MET A 1 50 ? 9.235 -6.651 6.604 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 18 +ATOM 27979 C C . MET A 1 50 ? 10.309 -5.676 6.141 1.00 0.00 ? ? ? ? ? ? 47 MET A C 18 +ATOM 27980 O O . MET A 1 50 ? 10.477 -4.628 6.767 1.00 0.00 ? ? ? ? ? ? 47 MET A O 18 +ATOM 27981 C CB . MET A 1 50 ? 7.837 -6.081 6.317 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 18 +ATOM 27982 C CG . MET A 1 50 ? 6.689 -7.006 6.718 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 18 +ATOM 27983 S SD . MET A 1 50 ? 6.614 -8.533 5.755 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 18 +ATOM 27984 C CE . MET A 1 50 ? 6.113 -7.901 4.152 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 18 +ATOM 27985 H H . MET A 1 50 ? 9.530 -6.127 8.620 1.00 0.00 ? ? ? ? ? ? 47 MET A H 18 +ATOM 27986 H HA . MET A 1 50 ? 9.349 -7.596 6.095 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 18 +ATOM 27987 H HB2 . MET A 1 50 ? 7.732 -5.155 6.863 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 18 +ATOM 27988 H HB3 . MET A 1 50 ? 7.759 -5.874 5.260 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 18 +ATOM 27989 H HG2 . MET A 1 50 ? 6.812 -7.268 7.758 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 18 +ATOM 27990 H HG3 . MET A 1 50 ? 5.757 -6.471 6.597 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 18 +ATOM 27991 H HE1 . MET A 1 50 ? 6.850 -7.206 3.781 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 18 +ATOM 27992 H HE2 . MET A 1 50 ? 5.165 -7.396 4.259 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 18 +ATOM 27993 H HE3 . MET A 1 50 ? 6.002 -8.720 3.457 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 18 +ATOM 27994 N N . PRO A 1 51 ? 11.018 -6.000 5.020 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 18 +ATOM 27995 C CA . PRO A 1 51 ? 12.171 -5.217 4.499 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 18 +ATOM 27996 C C . PRO A 1 51 ? 11.928 -3.714 4.432 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 18 +ATOM 27997 O O . PRO A 1 51 ? 12.650 -2.917 5.047 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 18 +ATOM 27998 C CB . PRO A 1 51 ? 12.396 -5.788 3.082 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 18 +ATOM 27999 C CG . PRO A 1 51 ? 11.221 -6.684 2.819 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 18 +ATOM 28000 C CD . PRO A 1 51 ? 10.750 -7.159 4.159 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 18 +ATOM 28001 H HA . PRO A 1 51 ? 13.054 -5.392 5.091 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 18 +ATOM 28002 H HB2 . PRO A 1 51 ? 12.438 -4.974 2.372 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 18 +ATOM 28003 H HB3 . PRO A 1 51 ? 13.325 -6.337 3.053 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 18 +ATOM 28004 H HG2 . PRO A 1 51 ? 10.438 -6.127 2.327 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 18 +ATOM 28005 H HG3 . PRO A 1 51 ? 11.525 -7.520 2.207 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 18 +ATOM 28006 H HD2 . PRO A 1 51 ? 9.696 -7.388 4.119 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 18 +ATOM 28007 H HD3 . PRO A 1 51 ? 11.317 -8.020 4.482 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 18 +ATOM 28008 N N . ASP A 1 52 ? 10.928 -3.338 3.692 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 18 +ATOM 28009 C CA . ASP A 1 52 ? 10.553 -1.956 3.550 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 18 +ATOM 28010 C C . ASP A 1 52 ? 9.109 -1.943 3.200 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 18 +ATOM 28011 O O . ASP A 1 52 ? 8.750 -1.997 2.034 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 18 +ATOM 28012 C CB . ASP A 1 52 ? 11.339 -1.266 2.440 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 18 +ATOM 28013 C CG . ASP A 1 52 ? 11.307 0.235 2.611 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 18 +ATOM 28014 O OD1 . ASP A 1 52 ? 10.300 0.850 2.293 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 18 +ATOM 28015 O OD2 . ASP A 1 52 ? 12.316 0.815 3.118 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 18 +ATOM 28016 H H . ASP A 1 52 ? 10.404 -4.019 3.221 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 18 +ATOM 28017 H HA . ASP A 1 52 ? 10.693 -1.424 4.479 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 18 +ATOM 28018 H HB2 . ASP A 1 52 ? 12.346 -1.647 2.381 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 18 +ATOM 28019 H HB3 . ASP A 1 52 ? 10.850 -1.501 1.505 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 18 +ATOM 28020 N N . CYS A 1 53 ? 8.278 -2.025 4.193 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 18 +ATOM 28021 C CA . CYS A 1 53 ? 6.861 -2.083 3.967 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 18 +ATOM 28022 C C . CYS A 1 53 ? 6.154 -1.242 4.984 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 18 +ATOM 28023 O O . CYS A 1 53 ? 6.550 -1.211 6.161 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 18 +ATOM 28024 C CB . CYS A 1 53 ? 6.375 -3.531 4.034 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 18 +ATOM 28025 S SG . CYS A 1 53 ? 7.195 -4.629 2.852 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 18 +ATOM 28026 H H . CYS A 1 53 ? 8.607 -2.019 5.115 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 18 +ATOM 28027 H HA . CYS A 1 53 ? 6.656 -1.693 2.984 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 18 +ATOM 28028 H HB2 . CYS A 1 53 ? 6.566 -3.917 5.025 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 18 +ATOM 28029 H HB3 . CYS A 1 53 ? 5.314 -3.559 3.836 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 18 +ATOM 28030 H HG . CYS A 1 53 ? 7.721 -3.792 1.965 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 18 +ATOM 28031 N N . TYR A 1 54 ? 5.127 -0.577 4.549 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 18 +ATOM 28032 C CA . TYR A 1 54 ? 4.375 0.323 5.378 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 18 +ATOM 28033 C C . TYR A 1 54 ? 2.916 0.119 5.084 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 18 +ATOM 28034 O O . TYR A 1 54 ? 2.559 -0.332 3.980 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 18 +ATOM 28035 C CB . TYR A 1 54 ? 4.734 1.792 5.070 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 18 +ATOM 28036 C CG . TYR A 1 54 ? 6.206 2.143 5.172 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 18 +ATOM 28037 C CD1 . TYR A 1 54 ? 7.068 1.906 4.113 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 18 +ATOM 28038 C CD2 . TYR A 1 54 ? 6.729 2.709 6.316 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 18 +ATOM 28039 C CE1 . TYR A 1 54 ? 8.401 2.219 4.198 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 18 +ATOM 28040 C CE2 . TYR A 1 54 ? 8.070 3.026 6.404 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 18 +ATOM 28041 C CZ . TYR A 1 54 ? 8.897 2.779 5.339 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 18 +ATOM 28042 O OH . TYR A 1 54 ? 10.233 3.090 5.420 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 18 +ATOM 28043 H H . TYR A 1 54 ? 4.828 -0.694 3.617 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 18 +ATOM 28044 H HA . TYR A 1 54 ? 4.579 0.115 6.417 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 18 +ATOM 28045 H HB2 . TYR A 1 54 ? 4.422 2.019 4.061 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 18 +ATOM 28046 H HB3 . TYR A 1 54 ? 4.191 2.431 5.751 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 18 +ATOM 28047 H HD1 . TYR A 1 54 ? 6.677 1.461 3.211 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 18 +ATOM 28048 H HD2 . TYR A 1 54 ? 6.075 2.903 7.153 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 18 +ATOM 28049 H HE1 . TYR A 1 54 ? 9.055 2.026 3.361 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 18 +ATOM 28050 H HE2 . TYR A 1 54 ? 8.463 3.468 7.307 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 18 +ATOM 28051 H HH . TYR A 1 54 ? 10.518 3.413 4.554 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 18 +ATOM 28052 N N . LYS A 1 55 ? 2.087 0.416 6.038 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 18 +ATOM 28053 C CA . LYS A 1 55 ? 0.672 0.318 5.857 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 18 +ATOM 28054 C C . LYS A 1 55 ? 0.006 1.628 6.215 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 18 +ATOM 28055 O O . LYS A 1 55 ? 0.367 2.277 7.191 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 18 +ATOM 28056 C CB . LYS A 1 55 ? 0.081 -0.817 6.714 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 18 +ATOM 28057 C CG . LYS A 1 55 ? 0.368 -0.687 8.207 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 18 +ATOM 28058 C CD . LYS A 1 55 ? -0.299 -1.786 9.007 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 18 +ATOM 28059 C CE . LYS A 1 55 ? 0.132 -1.736 10.460 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 18 +ATOM 28060 N NZ . LYS A 1 55 ? -0.564 -2.737 11.284 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 18 +ATOM 28061 H H . LYS A 1 55 ? 2.435 0.723 6.907 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 18 +ATOM 28062 H HA . LYS A 1 55 ? 0.479 0.098 4.818 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 18 +ATOM 28063 H HB2 . LYS A 1 55 ? -0.991 -0.836 6.577 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 18 +ATOM 28064 H HB3 . LYS A 1 55 ? 0.493 -1.755 6.370 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 18 +ATOM 28065 H HG2 . LYS A 1 55 ? 1.435 -0.739 8.362 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 18 +ATOM 28066 H HG3 . LYS A 1 55 ? 0.002 0.271 8.546 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 18 +ATOM 28067 H HD2 . LYS A 1 55 ? -1.372 -1.683 8.943 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 18 +ATOM 28068 H HD3 . LYS A 1 55 ? 0.004 -2.733 8.588 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 18 +ATOM 28069 H HE2 . LYS A 1 55 ? 1.194 -1.920 10.514 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 18 +ATOM 28070 H HE3 . LYS A 1 55 ? -0.078 -0.750 10.840 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 18 +ATOM 28071 H HZ1 . LYS A 1 55 ? -0.193 -2.749 12.254 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 18 +ATOM 28072 H HZ2 . LYS A 1 55 ? -0.491 -3.699 10.890 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 18 +ATOM 28073 H HZ3 . LYS A 1 55 ? -1.577 -2.513 11.352 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 18 +ATOM 28074 N N . ILE A 1 56 ? -0.952 2.004 5.441 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 18 +ATOM 28075 C CA . ILE A 1 56 ? -1.730 3.175 5.728 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 18 +ATOM 28076 C C . ILE A 1 56 ? -3.104 2.715 6.077 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 18 +ATOM 28077 O O . ILE A 1 56 ? -3.673 1.900 5.367 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 18 +ATOM 28078 C CB . ILE A 1 56 ? -1.812 4.155 4.526 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 18 +ATOM 28079 C CG1 . ILE A 1 56 ? -0.407 4.629 4.128 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 18 +ATOM 28080 C CG2 . ILE A 1 56 ? -2.715 5.349 4.868 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 18 +ATOM 28081 C CD1 . ILE A 1 56 ? -0.385 5.609 2.972 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 18 +ATOM 28082 H H . ILE A 1 56 ? -1.153 1.463 4.645 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 18 +ATOM 28083 H HA . ILE A 1 56 ? -1.291 3.678 6.577 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 18 +ATOM 28084 H HB . ILE A 1 56 ? -2.255 3.630 3.692 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 18 +ATOM 28085 H HG12 . ILE A 1 56 ? 0.055 5.111 4.977 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 18 +ATOM 28086 H HG13 . ILE A 1 56 ? 0.185 3.770 3.850 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 18 +ATOM 28087 H HG21 . ILE A 1 56 ? -3.708 5.009 5.125 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 18 +ATOM 28088 H HG22 . ILE A 1 56 ? -2.786 6.008 4.017 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 18 +ATOM 28089 H HG23 . ILE A 1 56 ? -2.305 5.903 5.698 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 18 +ATOM 28090 H HD11 . ILE A 1 56 ? -0.927 6.500 3.254 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 18 +ATOM 28091 H HD12 . ILE A 1 56 ? -0.850 5.162 2.106 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 18 +ATOM 28092 H HD13 . ILE A 1 56 ? 0.637 5.870 2.744 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 18 +ATOM 28093 N N . LYS A 1 57 ? -3.626 3.196 7.153 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 18 +ATOM 28094 C CA . LYS A 1 57 ? -4.931 2.807 7.573 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 18 +ATOM 28095 C C . LYS A 1 57 ? -5.890 3.933 7.221 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 18 +ATOM 28096 O O . LYS A 1 57 ? -5.510 5.116 7.239 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 18 +ATOM 28097 C CB . LYS A 1 57 ? -4.983 2.502 9.103 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 18 +ATOM 28098 C CG . LYS A 1 57 ? -4.827 3.708 10.053 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 18 +ATOM 28099 C CD . LYS A 1 57 ? -3.477 3.764 10.796 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 18 +ATOM 28100 C CE . LYS A 1 57 ? -2.288 4.078 9.892 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 18 +ATOM 28101 N NZ . LYS A 1 57 ? -1.043 4.280 10.663 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 18 +ATOM 28102 H H . LYS A 1 57 ? -3.141 3.885 7.649 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 18 +ATOM 28103 H HA . LYS A 1 57 ? -5.198 1.908 7.027 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 18 +ATOM 28104 H HB2 . LYS A 1 57 ? -5.934 2.038 9.318 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 18 +ATOM 28105 H HB3 . LYS A 1 57 ? -4.201 1.790 9.329 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 18 +ATOM 28106 H HG2 . LYS A 1 57 ? -4.927 4.611 9.470 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 18 +ATOM 28107 H HG3 . LYS A 1 57 ? -5.626 3.675 10.779 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 18 +ATOM 28108 H HD2 . LYS A 1 57 ? -3.541 4.527 11.556 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 18 +ATOM 28109 H HD3 . LYS A 1 57 ? -3.313 2.809 11.275 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 18 +ATOM 28110 H HE2 . LYS A 1 57 ? -2.145 3.259 9.203 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 18 +ATOM 28111 H HE3 . LYS A 1 57 ? -2.514 4.977 9.339 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 18 +ATOM 28112 H HZ1 . LYS A 1 57 ? -0.227 4.483 10.047 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 18 +ATOM 28113 H HZ2 . LYS A 1 57 ? -0.812 3.442 11.238 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 18 +ATOM 28114 H HZ3 . LYS A 1 57 ? -1.160 5.079 11.316 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 18 +ATOM 28115 N N . LEU A 1 58 ? -7.080 3.583 6.865 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 18 +ATOM 28116 C CA . LEU A 1 58 ? -8.090 4.546 6.551 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 18 +ATOM 28117 C C . LEU A 1 58 ? -8.778 4.851 7.883 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 18 +ATOM 28118 O O . LEU A 1 58 ? -8.912 3.961 8.726 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 18 +ATOM 28119 C CB . LEU A 1 58 ? -9.047 3.934 5.498 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 18 +ATOM 28120 C CG . LEU A 1 58 ? -9.784 4.897 4.537 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 18 +ATOM 28121 C CD1 . LEU A 1 58 ? -10.464 4.112 3.440 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 18 +ATOM 28122 C CD2 . LEU A 1 58 ? -10.807 5.751 5.251 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 18 +ATOM 28123 H H . LEU A 1 58 ? -7.309 2.626 6.831 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 18 +ATOM 28124 H HA . LEU A 1 58 ? -7.614 5.437 6.170 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 18 +ATOM 28125 H HB2 . LEU A 1 58 ? -8.474 3.246 4.895 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 18 +ATOM 28126 H HB3 . LEU A 1 58 ? -9.791 3.364 6.035 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 18 +ATOM 28127 H HG . LEU A 1 58 ? -9.055 5.543 4.070 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 18 +ATOM 28128 H HD11 . LEU A 1 58 ? -9.716 3.591 2.861 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 18 +ATOM 28129 H HD12 . LEU A 1 58 ? -11.013 4.784 2.798 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 18 +ATOM 28130 H HD13 . LEU A 1 58 ? -11.140 3.389 3.870 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 18 +ATOM 28131 H HD21 . LEU A 1 58 ? -11.563 5.123 5.694 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 18 +ATOM 28132 H HD22 . LEU A 1 58 ? -11.265 6.428 4.544 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 18 +ATOM 28133 H HD23 . LEU A 1 58 ? -10.311 6.316 6.026 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 18 +ATOM 28134 N N . ARG A 1 59 ? -9.162 6.081 8.101 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 18 +ATOM 28135 C CA . ARG A 1 59 ? -9.665 6.474 9.403 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 18 +ATOM 28136 C C . ARG A 1 59 ? -11.191 6.373 9.489 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 18 +ATOM 28137 O O . ARG A 1 59 ? -11.730 5.888 10.482 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 18 +ATOM 28138 C CB . ARG A 1 59 ? -9.173 7.883 9.721 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 18 +ATOM 28139 C CG . ARG A 1 59 ? -9.428 8.372 11.131 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 18 +ATOM 28140 C CD . ARG A 1 59 ? -8.846 9.759 11.290 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 18 +ATOM 28141 N NE . ARG A 1 59 ? -8.986 10.303 12.634 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 18 +ATOM 28142 C CZ . ARG A 1 59 ? -8.409 11.432 13.052 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 18 +ATOM 28143 N NH1 . ARG A 1 59 ? -7.639 12.138 12.228 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 18 +ATOM 28144 N NH2 . ARG A 1 59 ? -8.605 11.856 14.285 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 18 +ATOM 28145 H H . ARG A 1 59 ? -9.107 6.748 7.384 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 18 +ATOM 28146 H HA . ARG A 1 59 ? -9.241 5.799 10.131 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 18 +ATOM 28147 H HB2 . ARG A 1 59 ? -8.109 7.927 9.546 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 18 +ATOM 28148 H HB3 . ARG A 1 59 ? -9.656 8.567 9.040 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 18 +ATOM 28149 H HG2 . ARG A 1 59 ? -10.490 8.396 11.322 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 18 +ATOM 28150 H HG3 . ARG A 1 59 ? -8.946 7.704 11.828 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 18 +ATOM 28151 H HD2 . ARG A 1 59 ? -7.793 9.725 11.048 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 18 +ATOM 28152 H HD3 . ARG A 1 59 ? -9.346 10.419 10.597 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 18 +ATOM 28153 H HE . ARG A 1 59 ? -9.553 9.777 13.245 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 18 +ATOM 28154 H HH11 . ARG A 1 59 ? -7.473 11.863 11.276 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 18 +ATOM 28155 H HH12 . ARG A 1 59 ? -7.171 12.977 12.522 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 18 +ATOM 28156 H HH21 . ARG A 1 59 ? -9.185 11.353 14.932 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 18 +ATOM 28157 H HH22 . ARG A 1 59 ? -8.206 12.711 14.630 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 18 +ATOM 28158 N N . SER A 1 60 ? -11.877 6.807 8.454 1.00 0.00 ? ? ? ? ? ? 57 SER A N 18 +ATOM 28159 C CA . SER A 1 60 ? -13.336 6.798 8.446 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 18 +ATOM 28160 C C . SER A 1 60 ? -13.918 5.476 7.901 1.00 0.00 ? ? ? ? ? ? 57 SER A C 18 +ATOM 28161 O O . SER A 1 60 ? -15.140 5.334 7.722 1.00 0.00 ? ? ? ? ? ? 57 SER A O 18 +ATOM 28162 C CB . SER A 1 60 ? -13.840 7.985 7.642 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 18 +ATOM 28163 O OG . SER A 1 60 ? -13.320 9.201 8.171 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 18 +ATOM 28164 H H . SER A 1 60 ? -11.404 7.188 7.683 1.00 0.00 ? ? ? ? ? ? 57 SER A H 18 +ATOM 28165 H HA . SER A 1 60 ? -13.662 6.919 9.468 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 18 +ATOM 28166 H HB2 . SER A 1 60 ? -13.515 7.880 6.618 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 18 +ATOM 28167 H HB3 . SER A 1 60 ? -14.918 8.017 7.682 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 18 +ATOM 28168 H HG . SER A 1 60 ? -13.582 9.909 7.571 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 18 +ATOM 28169 N N . SER A 1 61 ? -13.058 4.528 7.626 1.00 0.00 ? ? ? ? ? ? 58 SER A N 18 +ATOM 28170 C CA . SER A 1 61 ? -13.447 3.218 7.160 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 18 +ATOM 28171 C C . SER A 1 61 ? -12.359 2.250 7.590 1.00 0.00 ? ? ? ? ? ? 58 SER A C 18 +ATOM 28172 O O . SER A 1 61 ? -11.186 2.589 7.508 1.00 0.00 ? ? ? ? ? ? 58 SER A O 18 +ATOM 28173 C CB . SER A 1 61 ? -13.611 3.211 5.626 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 18 +ATOM 28174 O OG . SER A 1 61 ? -14.520 4.229 5.203 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 18 +ATOM 28175 H H . SER A 1 61 ? -12.098 4.679 7.758 1.00 0.00 ? ? ? ? ? ? 58 SER A H 18 +ATOM 28176 H HA . SER A 1 61 ? -14.378 2.957 7.637 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 18 +ATOM 28177 H HB2 . SER A 1 61 ? -12.653 3.381 5.162 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 18 +ATOM 28178 H HB3 . SER A 1 61 ? -13.998 2.253 5.314 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 18 +ATOM 28179 H HG . SER A 1 61 ? -14.953 4.530 6.013 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 18 +ATOM 28180 N N . GLY A 1 62 ? -12.736 1.082 8.059 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 18 +ATOM 28181 C CA . GLY A 1 62 ? -11.766 0.128 8.579 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 18 +ATOM 28182 C C . GLY A 1 62 ? -11.006 -0.613 7.497 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 18 +ATOM 28183 O O . GLY A 1 62 ? -11.233 -1.804 7.253 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 18 +ATOM 28184 H H . GLY A 1 62 ? -13.686 0.834 8.049 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 18 +ATOM 28185 H HA2 . GLY A 1 62 ? -11.057 0.666 9.190 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 18 +ATOM 28186 H HA3 . GLY A 1 62 ? -12.280 -0.587 9.201 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 18 +ATOM 28187 N N . TYR A 1 63 ? -10.109 0.079 6.854 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 18 +ATOM 28188 C CA . TYR A 1 63 ? -9.286 -0.484 5.809 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 18 +ATOM 28189 C C . TYR A 1 63 ? -7.856 -0.050 5.999 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 18 +ATOM 28190 O O . TYR A 1 63 ? -7.595 0.941 6.665 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 18 +ATOM 28191 C CB . TYR A 1 63 ? -9.763 -0.034 4.423 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 18 +ATOM 28192 C CG . TYR A 1 63 ? -11.079 -0.620 3.968 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 18 +ATOM 28193 C CD1 . TYR A 1 63 ? -12.291 -0.034 4.312 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 18 +ATOM 28194 C CD2 . TYR A 1 63 ? -11.103 -1.752 3.172 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 18 +ATOM 28195 C CE1 . TYR A 1 63 ? -13.486 -0.563 3.873 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 18 +ATOM 28196 C CE2 . TYR A 1 63 ? -12.291 -2.283 2.725 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 18 +ATOM 28197 C CZ . TYR A 1 63 ? -13.478 -1.688 3.079 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 18 +ATOM 28198 O OH . TYR A 1 63 ? -14.663 -2.212 2.621 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 18 +ATOM 28199 H H . TYR A 1 63 ? -9.987 1.024 7.100 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 18 +ATOM 28200 H HA . TYR A 1 63 ? -9.352 -1.560 5.869 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 18 +ATOM 28201 H HB2 . TYR A 1 63 ? -9.875 1.039 4.429 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 18 +ATOM 28202 H HB3 . TYR A 1 63 ? -9.009 -0.299 3.697 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 18 +ATOM 28203 H HD1 . TYR A 1 63 ? -12.287 0.849 4.934 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 18 +ATOM 28204 H HD2 . TYR A 1 63 ? -10.169 -2.217 2.898 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 18 +ATOM 28205 H HE1 . TYR A 1 63 ? -14.420 -0.096 4.149 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 18 +ATOM 28206 H HE2 . TYR A 1 63 ? -12.289 -3.167 2.104 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 18 +ATOM 28207 H HH . TYR A 1 63 ? -15.151 -1.504 2.177 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 18 +ATOM 28208 N N . ARG A 1 64 ? -6.944 -0.814 5.465 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 18 +ATOM 28209 C CA . ARG A 1 64 ? -5.547 -0.459 5.455 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 18 +ATOM 28210 C C . ARG A 1 64 ? -4.922 -0.954 4.157 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 18 +ATOM 28211 O O . ARG A 1 64 ? -5.367 -1.957 3.585 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 18 +ATOM 28212 C CB . ARG A 1 64 ? -4.749 -0.966 6.701 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 18 +ATOM 28213 C CG . ARG A 1 64 ? -4.632 -2.471 6.833 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 18 +ATOM 28214 C CD . ARG A 1 64 ? -5.957 -3.110 7.164 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 18 +ATOM 28215 N NE . ARG A 1 64 ? -6.359 -2.942 8.569 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 18 +ATOM 28216 C CZ . ARG A 1 64 ? -7.623 -2.977 9.017 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 18 +ATOM 28217 N NH1 . ARG A 1 64 ? -8.647 -2.971 8.162 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 18 +ATOM 28218 N NH2 . ARG A 1 64 ? -7.859 -2.998 10.315 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 18 +ATOM 28219 H H . ARG A 1 64 ? -7.198 -1.664 5.036 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 18 +ATOM 28220 H HA . ARG A 1 64 ? -5.516 0.619 5.423 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 18 +ATOM 28221 H HB2 . ARG A 1 64 ? -3.750 -0.560 6.658 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 18 +ATOM 28222 H HB3 . ARG A 1 64 ? -5.235 -0.585 7.588 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 18 +ATOM 28223 H HG2 . ARG A 1 64 ? -4.273 -2.875 5.897 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 18 +ATOM 28224 H HG3 . ARG A 1 64 ? -3.924 -2.700 7.616 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 18 +ATOM 28225 H HD2 . ARG A 1 64 ? -6.710 -2.659 6.536 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 18 +ATOM 28226 H HD3 . ARG A 1 64 ? -5.889 -4.156 6.927 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 18 +ATOM 28227 H HE . ARG A 1 64 ? -5.622 -2.869 9.219 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 18 +ATOM 28228 H HH11 . ARG A 1 64 ? -8.526 -2.935 7.170 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 18 +ATOM 28229 H HH12 . ARG A 1 64 ? -9.599 -2.993 8.491 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 18 +ATOM 28230 H HH21 . ARG A 1 64 ? -7.101 -2.987 10.974 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 18 +ATOM 28231 H HH22 . ARG A 1 64 ? -8.797 -3.050 10.672 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 18 +ATOM 28232 N N . LEU A 1 65 ? -3.941 -0.256 3.701 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 18 +ATOM 28233 C CA . LEU A 1 65 ? -3.266 -0.554 2.463 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 18 +ATOM 28234 C C . LEU A 1 65 ? -1.796 -0.822 2.766 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 18 +ATOM 28235 O O . LEU A 1 65 ? -1.180 -0.064 3.510 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 18 +ATOM 28236 C CB . LEU A 1 65 ? -3.474 0.653 1.508 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 18 +ATOM 28237 C CG . LEU A 1 65 ? -2.860 0.605 0.099 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 18 +ATOM 28238 C CD1 . LEU A 1 65 ? -3.565 1.608 -0.791 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 18 +ATOM 28239 C CD2 . LEU A 1 65 ? -1.387 0.954 0.142 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 18 +ATOM 28240 H H . LEU A 1 65 ? -3.635 0.519 4.226 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 18 +ATOM 28241 H HA . LEU A 1 65 ? -3.715 -1.434 2.030 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 18 +ATOM 28242 H HB2 . LEU A 1 65 ? -4.538 0.796 1.392 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 18 +ATOM 28243 H HB3 . LEU A 1 65 ? -3.085 1.526 2.011 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 18 +ATOM 28244 H HG . LEU A 1 65 ? -2.973 -0.382 -0.322 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 18 +ATOM 28245 H HD11 . LEU A 1 65 ? -3.133 1.580 -1.781 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 18 +ATOM 28246 H HD12 . LEU A 1 65 ? -3.459 2.599 -0.375 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 18 +ATOM 28247 H HD13 . LEU A 1 65 ? -4.613 1.354 -0.849 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 18 +ATOM 28248 H HD21 . LEU A 1 65 ? -0.990 0.977 -0.862 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 18 +ATOM 28249 H HD22 . LEU A 1 65 ? -0.864 0.208 0.722 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 18 +ATOM 28250 H HD23 . LEU A 1 65 ? -1.264 1.921 0.606 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 18 +ATOM 28251 N N . VAL A 1 66 ? -1.253 -1.890 2.203 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 18 +ATOM 28252 C CA . VAL A 1 66 ? 0.122 -2.294 2.458 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 18 +ATOM 28253 C C . VAL A 1 66 ? 0.971 -2.138 1.194 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 18 +ATOM 28254 O O . VAL A 1 66 ? 0.632 -2.668 0.119 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 18 +ATOM 28255 C CB . VAL A 1 66 ? 0.196 -3.770 2.957 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 18 +ATOM 28256 C CG1 . VAL A 1 66 ? 1.639 -4.205 3.187 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 18 +ATOM 28257 C CG2 . VAL A 1 66 ? -0.618 -3.950 4.233 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 18 +ATOM 28258 H H . VAL A 1 66 ? -1.761 -2.435 1.559 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 18 +ATOM 28259 H HA . VAL A 1 66 ? 0.519 -1.648 3.226 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 18 +ATOM 28260 H HB . VAL A 1 66 ? -0.226 -4.405 2.193 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 18 +ATOM 28261 H HG11 . VAL A 1 66 ? 2.103 -3.549 3.907 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 18 +ATOM 28262 H HG12 . VAL A 1 66 ? 2.183 -4.159 2.255 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 18 +ATOM 28263 H HG13 . VAL A 1 66 ? 1.654 -5.219 3.562 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 18 +ATOM 28264 H HG21 . VAL A 1 66 ? -0.225 -3.300 4.999 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 18 +ATOM 28265 H HG22 . VAL A 1 66 ? -0.551 -4.976 4.563 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 18 +ATOM 28266 H HG23 . VAL A 1 66 ? -1.651 -3.696 4.040 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 18 +ATOM 28267 N N . TYR A 1 67 ? 2.061 -1.428 1.317 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 18 +ATOM 28268 C CA . TYR A 1 67 ? 2.943 -1.197 0.204 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 18 +ATOM 28269 C C . TYR A 1 67 ? 4.389 -1.362 0.611 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 18 +ATOM 28270 O O . TYR A 1 67 ? 4.717 -1.299 1.803 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 18 +ATOM 28271 C CB . TYR A 1 67 ? 2.715 0.201 -0.421 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 18 +ATOM 28272 C CG . TYR A 1 67 ? 2.881 1.400 0.516 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 18 +ATOM 28273 C CD1 . TYR A 1 67 ? 4.115 1.735 1.068 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 18 +ATOM 28274 C CD2 . TYR A 1 67 ? 1.808 2.212 0.809 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 18 +ATOM 28275 C CE1 . TYR A 1 67 ? 4.261 2.829 1.882 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 18 +ATOM 28276 C CE2 . TYR A 1 67 ? 1.946 3.309 1.624 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 18 +ATOM 28277 C CZ . TYR A 1 67 ? 3.177 3.612 2.160 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 18 +ATOM 28278 O OH . TYR A 1 67 ? 3.324 4.705 2.980 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 18 +ATOM 28279 H H . TYR A 1 67 ? 2.297 -1.054 2.197 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 18 +ATOM 28280 H HA . TYR A 1 67 ? 2.714 -1.941 -0.544 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 18 +ATOM 28281 H HB2 . TYR A 1 67 ? 3.411 0.336 -1.236 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 18 +ATOM 28282 H HB3 . TYR A 1 67 ? 1.711 0.230 -0.817 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 18 +ATOM 28283 H HD1 . TYR A 1 67 ? 4.969 1.110 0.850 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 18 +ATOM 28284 H HD2 . TYR A 1 67 ? 0.841 1.976 0.391 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 18 +ATOM 28285 H HE1 . TYR A 1 67 ? 5.228 3.069 2.296 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 18 +ATOM 28286 H HE2 . TYR A 1 67 ? 1.081 3.922 1.830 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 18 +ATOM 28287 H HH . TYR A 1 67 ? 4.190 5.091 2.828 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 18 +ATOM 28288 N N . GLN A 1 68 ? 5.238 -1.599 -0.350 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 18 +ATOM 28289 C CA . GLN A 1 68 ? 6.650 -1.622 -0.104 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 18 +ATOM 28290 C C . GLN A 1 68 ? 7.286 -0.460 -0.831 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 18 +ATOM 28291 O O . GLN A 1 68 ? 6.881 -0.123 -1.950 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 18 +ATOM 28292 C CB . GLN A 1 68 ? 7.315 -2.958 -0.495 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 18 +ATOM 28293 C CG . GLN A 1 68 ? 7.254 -3.329 -1.966 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 18 +ATOM 28294 C CD . GLN A 1 68 ? 8.025 -4.605 -2.277 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 18 +ATOM 28295 O OE1 . GLN A 1 68 ? 7.658 -5.350 -3.177 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 18 +ATOM 28296 N NE2 . GLN A 1 68 ? 9.124 -4.848 -1.569 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 18 +ATOM 28297 H H . GLN A 1 68 ? 4.906 -1.731 -1.268 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 18 +ATOM 28298 H HA . GLN A 1 68 ? 6.782 -1.450 0.954 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 18 +ATOM 28299 H HB2 . GLN A 1 68 ? 8.355 -2.904 -0.209 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 18 +ATOM 28300 H HB3 . GLN A 1 68 ? 6.846 -3.744 0.078 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 18 +ATOM 28301 H HG2 . GLN A 1 68 ? 6.221 -3.470 -2.247 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 18 +ATOM 28302 H HG3 . GLN A 1 68 ? 7.672 -2.520 -2.546 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 18 +ATOM 28303 H HE21 . GLN A 1 68 ? 9.417 -4.214 -0.879 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 18 +ATOM 28304 H HE22 . GLN A 1 68 ? 9.601 -5.680 -1.780 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 18 +ATOM 28305 N N . VAL A 1 69 ? 8.229 0.173 -0.211 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 18 +ATOM 28306 C CA . VAL A 1 69 ? 8.870 1.306 -0.814 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 18 +ATOM 28307 C C . VAL A 1 69 ? 10.188 0.887 -1.420 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 18 +ATOM 28308 O O . VAL A 1 69 ? 11.116 0.476 -0.728 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 18 +ATOM 28309 C CB . VAL A 1 69 ? 9.073 2.468 0.199 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 18 +ATOM 28310 C CG1 . VAL A 1 69 ? 9.866 3.613 -0.404 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 18 +ATOM 28311 C CG2 . VAL A 1 69 ? 7.738 2.968 0.715 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 18 +ATOM 28312 H H . VAL A 1 69 ? 8.550 -0.122 0.671 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 18 +ATOM 28313 H HA . VAL A 1 69 ? 8.227 1.651 -1.610 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 18 +ATOM 28314 H HB . VAL A 1 69 ? 9.632 2.081 1.038 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 18 +ATOM 28315 H HG11 . VAL A 1 69 ? 10.837 3.238 -0.692 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 18 +ATOM 28316 H HG12 . VAL A 1 69 ? 9.986 4.387 0.341 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 18 +ATOM 28317 H HG13 . VAL A 1 69 ? 9.352 4.006 -1.268 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 18 +ATOM 28318 H HG21 . VAL A 1 69 ? 7.904 3.756 1.433 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 18 +ATOM 28319 H HG22 . VAL A 1 69 ? 7.210 2.153 1.186 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 18 +ATOM 28320 H HG23 . VAL A 1 69 ? 7.148 3.346 -0.107 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 18 +ATOM 28321 N N . ILE A 1 70 ? 10.265 0.943 -2.713 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 18 +ATOM 28322 C CA . ILE A 1 70 ? 11.479 0.628 -3.361 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 18 +ATOM 28323 C C . ILE A 1 70 ? 12.187 1.939 -3.600 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 18 +ATOM 28324 O O . ILE A 1 70 ? 11.933 2.633 -4.595 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 18 +ATOM 28325 C CB . ILE A 1 70 ? 11.249 -0.092 -4.718 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 18 +ATOM 28326 C CG1 . ILE A 1 70 ? 10.283 -1.276 -4.542 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 18 +ATOM 28327 C CG2 . ILE A 1 70 ? 12.586 -0.582 -5.281 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 18 +ATOM 28328 C CD1 . ILE A 1 70 ? 9.897 -1.954 -5.841 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 18 +ATOM 28329 H H . ILE A 1 70 ? 9.495 1.234 -3.251 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 18 +ATOM 28330 H HA . ILE A 1 70 ? 12.073 0.004 -2.709 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 18 +ATOM 28331 H HB . ILE A 1 70 ? 10.822 0.617 -5.412 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 18 +ATOM 28332 H HG12 . ILE A 1 70 ? 10.744 -2.019 -3.907 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 18 +ATOM 28333 H HG13 . ILE A 1 70 ? 9.379 -0.923 -4.070 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 18 +ATOM 28334 H HG21 . ILE A 1 70 ? 13.245 0.260 -5.422 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 18 +ATOM 28335 H HG22 . ILE A 1 70 ? 12.420 -1.075 -6.228 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 18 +ATOM 28336 H HG23 . ILE A 1 70 ? 13.034 -1.278 -4.589 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 18 +ATOM 28337 H HD11 . ILE A 1 70 ? 10.785 -2.333 -6.326 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 18 +ATOM 28338 H HD12 . ILE A 1 70 ? 9.417 -1.234 -6.489 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 18 +ATOM 28339 H HD13 . ILE A 1 70 ? 9.219 -2.769 -5.639 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 18 +ATOM 28340 N N . ASP A 1 71 ? 13.054 2.293 -2.685 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 18 +ATOM 28341 C CA . ASP A 1 71 ? 13.784 3.561 -2.773 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 18 +ATOM 28342 C C . ASP A 1 71 ? 14.768 3.508 -3.916 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 18 +ATOM 28343 O O . ASP A 1 71 ? 15.061 4.516 -4.556 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 18 +ATOM 28344 C CB . ASP A 1 71 ? 14.500 3.880 -1.459 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 18 +ATOM 28345 C CG . ASP A 1 71 ? 15.190 5.232 -1.483 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 18 +ATOM 28346 O OD1 . ASP A 1 71 ? 14.552 6.247 -1.125 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 18 +ATOM 28347 O OD2 . ASP A 1 71 ? 16.381 5.304 -1.859 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 18 +ATOM 28348 H H . ASP A 1 71 ? 13.174 1.706 -1.908 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 18 +ATOM 28349 H HA . ASP A 1 71 ? 13.064 4.337 -2.985 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 18 +ATOM 28350 H HB2 . ASP A 1 71 ? 13.782 3.879 -0.652 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 18 +ATOM 28351 H HB3 . ASP A 1 71 ? 15.245 3.121 -1.272 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 18 +ATOM 28352 N N . GLU A 1 72 ? 15.208 2.294 -4.208 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 18 +ATOM 28353 C CA . GLU A 1 72 ? 16.149 2.016 -5.280 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 18 +ATOM 28354 C C . GLU A 1 72 ? 15.596 2.474 -6.627 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 18 +ATOM 28355 O O . GLU A 1 72 ? 16.327 2.967 -7.466 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 18 +ATOM 28356 C CB . GLU A 1 72 ? 16.420 0.523 -5.346 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 18 +ATOM 28357 C CG . GLU A 1 72 ? 16.909 -0.080 -4.051 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 18 +ATOM 28358 C CD . GLU A 1 72 ? 17.202 -1.544 -4.189 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 18 +ATOM 28359 O OE1 . GLU A 1 72 ? 16.279 -2.375 -4.029 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 18 +ATOM 28360 O OE2 . GLU A 1 72 ? 18.367 -1.901 -4.467 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 18 +ATOM 28361 H H . GLU A 1 72 ? 14.892 1.556 -3.648 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 18 +ATOM 28362 H HA . GLU A 1 72 ? 17.077 2.525 -5.070 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 18 +ATOM 28363 H HB2 . GLU A 1 72 ? 15.509 0.015 -5.629 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 18 +ATOM 28364 H HB3 . GLU A 1 72 ? 17.164 0.338 -6.106 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 18 +ATOM 28365 H HG2 . GLU A 1 72 ? 17.814 0.428 -3.754 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 18 +ATOM 28366 H HG3 . GLU A 1 72 ? 16.153 0.053 -3.290 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 18 +ATOM 28367 N N . LYS A 1 73 ? 14.299 2.304 -6.811 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 18 +ATOM 28368 C CA . LYS A 1 73 ? 13.650 2.663 -8.064 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 18 +ATOM 28369 C C . LYS A 1 73 ? 12.793 3.912 -7.901 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 18 +ATOM 28370 O O . LYS A 1 73 ? 12.186 4.392 -8.868 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 18 +ATOM 28371 C CB . LYS A 1 73 ? 12.810 1.494 -8.578 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 18 +ATOM 28372 C CG . LYS A 1 73 ? 13.616 0.247 -8.882 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 18 +ATOM 28373 C CD . LYS A 1 73 ? 12.731 -0.881 -9.369 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 18 +ATOM 28374 C CE . LYS A 1 73 ? 13.549 -2.117 -9.667 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 18 +ATOM 28375 N NZ . LYS A 1 73 ? 12.734 -3.207 -10.230 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 18 +ATOM 28376 H H . LYS A 1 73 ? 13.761 1.941 -6.077 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 18 +ATOM 28377 H HA . LYS A 1 73 ? 14.428 2.871 -8.783 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 18 +ATOM 28378 H HB2 . LYS A 1 73 ? 12.091 1.237 -7.815 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 18 +ATOM 28379 H HB3 . LYS A 1 73 ? 12.291 1.798 -9.475 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 18 +ATOM 28380 H HG2 . LYS A 1 73 ? 14.339 0.476 -9.650 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 18 +ATOM 28381 H HG3 . LYS A 1 73 ? 14.130 -0.067 -7.985 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 18 +ATOM 28382 H HD2 . LYS A 1 73 ? 12.008 -1.112 -8.600 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 18 +ATOM 28383 H HD3 . LYS A 1 73 ? 12.211 -0.573 -10.264 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 18 +ATOM 28384 H HE2 . LYS A 1 73 ? 14.319 -1.857 -10.377 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 18 +ATOM 28385 H HE3 . LYS A 1 73 ? 14.008 -2.455 -8.749 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 18 +ATOM 28386 H HZ1 . LYS A 1 73 ? 12.352 -2.940 -11.161 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 18 +ATOM 28387 H HZ2 . LYS A 1 73 ? 11.931 -3.436 -9.609 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 18 +ATOM 28388 H HZ3 . LYS A 1 73 ? 13.316 -4.061 -10.344 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 18 +ATOM 28389 N N . VAL A 1 74 ? 12.756 4.426 -6.662 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 18 +ATOM 28390 C CA . VAL A 1 74 ? 11.998 5.637 -6.289 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 18 +ATOM 28391 C C . VAL A 1 74 ? 10.482 5.399 -6.526 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 18 +ATOM 28392 O O . VAL A 1 74 ? 9.712 6.301 -6.863 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 18 +ATOM 28393 C CB . VAL A 1 74 ? 12.526 6.910 -7.067 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 18 +ATOM 28394 C CG1 . VAL A 1 74 ? 11.924 8.211 -6.528 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 18 +ATOM 28395 C CG2 . VAL A 1 74 ? 14.044 6.987 -7.000 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 18 +ATOM 28396 H H . VAL A 1 74 ? 13.264 3.971 -5.959 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 18 +ATOM 28397 H HA . VAL A 1 74 ? 12.144 5.777 -5.227 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 18 +ATOM 28398 H HB . VAL A 1 74 ? 12.239 6.812 -8.104 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 18 +ATOM 28399 H HG11 . VAL A 1 74 ? 12.182 8.321 -5.486 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 18 +ATOM 28400 H HG12 . VAL A 1 74 ? 10.849 8.176 -6.631 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 18 +ATOM 28401 H HG13 . VAL A 1 74 ? 12.311 9.049 -7.087 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 18 +ATOM 28402 H HG21 . VAL A 1 74 ? 14.466 6.092 -7.432 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 18 +ATOM 28403 H HG22 . VAL A 1 74 ? 14.356 7.076 -5.970 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 18 +ATOM 28404 H HG23 . VAL A 1 74 ? 14.382 7.848 -7.556 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 18 +ATOM 28405 N N . VAL A 1 75 ? 10.050 4.189 -6.282 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 18 +ATOM 28406 C CA . VAL A 1 75 ? 8.671 3.846 -6.489 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 18 +ATOM 28407 C C . VAL A 1 75 ? 8.124 3.078 -5.293 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 18 +ATOM 28408 O O . VAL A 1 75 ? 8.809 2.247 -4.691 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 18 +ATOM 28409 C CB . VAL A 1 75 ? 8.456 3.050 -7.828 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 18 +ATOM 28410 C CG1 . VAL A 1 75 ? 9.206 1.739 -7.832 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 18 +ATOM 28411 C CG2 . VAL A 1 75 ? 6.974 2.830 -8.133 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 18 +ATOM 28412 H H . VAL A 1 75 ? 10.661 3.512 -5.919 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 18 +ATOM 28413 H HA . VAL A 1 75 ? 8.129 4.779 -6.558 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 18 +ATOM 28414 H HB . VAL A 1 75 ? 8.878 3.641 -8.626 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 18 +ATOM 28415 H HG11 . VAL A 1 75 ? 10.252 1.941 -7.667 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 18 +ATOM 28416 H HG12 . VAL A 1 75 ? 9.075 1.269 -8.796 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 18 +ATOM 28417 H HG13 . VAL A 1 75 ? 8.822 1.102 -7.050 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 18 +ATOM 28418 H HG21 . VAL A 1 75 ? 6.476 3.784 -8.217 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 18 +ATOM 28419 H HG22 . VAL A 1 75 ? 6.524 2.260 -7.334 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 18 +ATOM 28420 H HG23 . VAL A 1 75 ? 6.873 2.288 -9.064 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 18 +ATOM 28421 N N . VAL A 1 76 ? 6.936 3.410 -4.934 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 18 +ATOM 28422 C CA . VAL A 1 76 ? 6.216 2.775 -3.890 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 18 +ATOM 28423 C C . VAL A 1 76 ? 5.274 1.786 -4.548 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 18 +ATOM 28424 O O . VAL A 1 76 ? 4.453 2.164 -5.402 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 18 +ATOM 28425 C CB . VAL A 1 76 ? 5.421 3.820 -3.074 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 18 +ATOM 28426 C CG1 . VAL A 1 76 ? 4.650 3.169 -1.957 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 18 +ATOM 28427 C CG2 . VAL A 1 76 ? 6.348 4.894 -2.526 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 18 +ATOM 28428 H H . VAL A 1 76 ? 6.478 4.136 -5.411 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 18 +ATOM 28429 H HA . VAL A 1 76 ? 6.909 2.256 -3.244 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 18 +ATOM 28430 H HB . VAL A 1 76 ? 4.720 4.296 -3.743 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 18 +ATOM 28431 H HG11 . VAL A 1 76 ? 3.949 2.461 -2.372 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 18 +ATOM 28432 H HG12 . VAL A 1 76 ? 4.114 3.922 -1.398 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 18 +ATOM 28433 H HG13 . VAL A 1 76 ? 5.330 2.651 -1.298 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 18 +ATOM 28434 H HG21 . VAL A 1 76 ? 7.099 4.436 -1.900 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 18 +ATOM 28435 H HG22 . VAL A 1 76 ? 5.776 5.603 -1.945 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 18 +ATOM 28436 H HG23 . VAL A 1 76 ? 6.827 5.406 -3.347 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 18 +ATOM 28437 N N . PHE A 1 77 ? 5.404 0.547 -4.192 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 18 +ATOM 28438 C CA . PHE A 1 77 ? 4.674 -0.499 -4.839 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 18 +ATOM 28439 C C . PHE A 1 77 ? 3.641 -1.073 -3.870 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 18 +ATOM 28440 O O . PHE A 1 77 ? 4.005 -1.623 -2.824 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 18 +ATOM 28441 C CB . PHE A 1 77 ? 5.663 -1.589 -5.266 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 18 +ATOM 28442 C CG . PHE A 1 77 ? 5.338 -2.266 -6.563 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 18 +ATOM 28443 C CD1 . PHE A 1 77 ? 4.076 -2.186 -7.120 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 18 +ATOM 28444 C CD2 . PHE A 1 77 ? 6.314 -2.975 -7.238 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 18 +ATOM 28445 C CE1 . PHE A 1 77 ? 3.801 -2.794 -8.314 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 18 +ATOM 28446 C CE2 . PHE A 1 77 ? 6.037 -3.589 -8.436 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 18 +ATOM 28447 C CZ . PHE A 1 77 ? 4.780 -3.496 -8.973 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 18 +ATOM 28448 H H . PHE A 1 77 ? 6.004 0.311 -3.447 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 18 +ATOM 28449 H HA . PHE A 1 77 ? 4.197 -0.093 -5.716 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 18 +ATOM 28450 H HB2 . PHE A 1 77 ? 6.644 -1.147 -5.370 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 18 +ATOM 28451 H HB3 . PHE A 1 77 ? 5.702 -2.344 -4.494 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 18 +ATOM 28452 H HD1 . PHE A 1 77 ? 3.296 -1.639 -6.611 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 18 +ATOM 28453 H HD2 . PHE A 1 77 ? 7.305 -3.047 -6.814 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 18 +ATOM 28454 H HE1 . PHE A 1 77 ? 2.809 -2.721 -8.736 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 18 +ATOM 28455 H HE2 . PHE A 1 77 ? 6.802 -4.142 -8.960 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 18 +ATOM 28456 H HZ . PHE A 1 77 ? 4.562 -3.974 -9.915 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 18 +ATOM 28457 N N . VAL A 1 78 ? 2.375 -0.911 -4.193 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 18 +ATOM 28458 C CA . VAL A 1 78 ? 1.291 -1.419 -3.362 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 18 +ATOM 28459 C C . VAL A 1 78 ? 1.094 -2.896 -3.639 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 18 +ATOM 28460 O O . VAL A 1 78 ? 0.797 -3.276 -4.774 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 18 +ATOM 28461 C CB . VAL A 1 78 ? -0.034 -0.660 -3.631 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 18 +ATOM 28462 C CG1 . VAL A 1 78 ? -1.171 -1.194 -2.761 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 18 +ATOM 28463 C CG2 . VAL A 1 78 ? 0.155 0.836 -3.422 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 18 +ATOM 28464 H H . VAL A 1 78 ? 2.163 -0.446 -5.035 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 18 +ATOM 28465 H HA . VAL A 1 78 ? 1.570 -1.290 -2.328 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 18 +ATOM 28466 H HB . VAL A 1 78 ? -0.307 -0.826 -4.663 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 18 +ATOM 28467 H HG11 . VAL A 1 78 ? -1.341 -2.233 -2.999 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 18 +ATOM 28468 H HG12 . VAL A 1 78 ? -2.075 -0.632 -2.944 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 18 +ATOM 28469 H HG13 . VAL A 1 78 ? -0.899 -1.112 -1.720 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 18 +ATOM 28470 H HG21 . VAL A 1 78 ? 0.497 1.026 -2.416 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 18 +ATOM 28471 H HG22 . VAL A 1 78 ? -0.783 1.344 -3.586 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 18 +ATOM 28472 H HG23 . VAL A 1 78 ? 0.891 1.204 -4.123 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 18 +ATOM 28473 N N . ILE A 1 79 ? 1.218 -3.710 -2.604 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 18 +ATOM 28474 C CA . ILE A 1 79 ? 1.173 -5.157 -2.771 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 18 +ATOM 28475 C C . ILE A 1 79 ? -0.220 -5.698 -2.461 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 18 +ATOM 28476 O O . ILE A 1 79 ? -0.745 -6.551 -3.185 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 18 +ATOM 28477 C CB . ILE A 1 79 ? 2.167 -5.864 -1.809 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 18 +ATOM 28478 C CG1 . ILE A 1 79 ? 3.545 -5.187 -1.835 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 18 +ATOM 28479 C CG2 . ILE A 1 79 ? 2.298 -7.341 -2.191 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 18 +ATOM 28480 C CD1 . ILE A 1 79 ? 4.541 -5.791 -0.860 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 18 +ATOM 28481 H H . ILE A 1 79 ? 1.323 -3.328 -1.705 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 18 +ATOM 28482 H HA . ILE A 1 79 ? 1.447 -5.403 -3.786 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 18 +ATOM 28483 H HB . ILE A 1 79 ? 1.762 -5.810 -0.809 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 18 +ATOM 28484 H HG12 . ILE A 1 79 ? 3.961 -5.255 -2.829 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 18 +ATOM 28485 H HG13 . ILE A 1 79 ? 3.424 -4.144 -1.581 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 18 +ATOM 28486 H HG21 . ILE A 1 79 ? 2.600 -7.418 -3.224 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 18 +ATOM 28487 H HG22 . ILE A 1 79 ? 1.354 -7.847 -2.048 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 18 +ATOM 28488 H HG23 . ILE A 1 79 ? 3.054 -7.797 -1.569 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 18 +ATOM 28489 H HD11 . ILE A 1 79 ? 4.155 -5.699 0.145 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 18 +ATOM 28490 H HD12 . ILE A 1 79 ? 5.489 -5.281 -0.937 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 18 +ATOM 28491 H HD13 . ILE A 1 79 ? 4.672 -6.837 -1.095 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 18 +ATOM 28492 N N . SER A 1 80 ? -0.816 -5.188 -1.407 1.00 0.00 ? ? ? ? ? ? 77 SER A N 18 +ATOM 28493 C CA . SER A 1 80 ? -2.091 -5.669 -0.937 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 18 +ATOM 28494 C C . SER A 1 80 ? -2.909 -4.513 -0.361 1.00 0.00 ? ? ? ? ? ? 77 SER A C 18 +ATOM 28495 O O . SER A 1 80 ? -2.339 -3.520 0.143 1.00 0.00 ? ? ? ? ? ? 77 SER A O 18 +ATOM 28496 C CB . SER A 1 80 ? -1.832 -6.759 0.113 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 18 +ATOM 28497 O OG . SER A 1 80 ? -0.864 -6.317 1.071 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 18 +ATOM 28498 H H . SER A 1 80 ? -0.418 -4.457 -0.886 1.00 0.00 ? ? ? ? ? ? 77 SER A H 18 +ATOM 28499 H HA . SER A 1 80 ? -2.620 -6.106 -1.770 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 18 +ATOM 28500 H HB2 . SER A 1 80 ? -2.749 -6.996 0.631 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 18 +ATOM 28501 H HB3 . SER A 1 80 ? -1.446 -7.642 -0.377 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 18 +ATOM 28502 H HG . SER A 1 80 ? -0.702 -7.017 1.712 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 18 +ATOM 28503 N N . VAL A 1 81 ? -4.217 -4.597 -0.456 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 18 +ATOM 28504 C CA . VAL A 1 81 ? -5.060 -3.531 0.028 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 18 +ATOM 28505 C C . VAL A 1 81 ? -6.425 -4.047 0.512 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 18 +ATOM 28506 O O . VAL A 1 81 ? -7.126 -4.762 -0.201 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 18 +ATOM 28507 C CB . VAL A 1 81 ? -5.201 -2.382 -1.033 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 18 +ATOM 28508 C CG1 . VAL A 1 81 ? -5.742 -2.882 -2.359 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 18 +ATOM 28509 C CG2 . VAL A 1 81 ? -6.050 -1.247 -0.507 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 18 +ATOM 28510 H H . VAL A 1 81 ? -4.640 -5.411 -0.828 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 18 +ATOM 28511 H HA . VAL A 1 81 ? -4.556 -3.125 0.893 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 18 +ATOM 28512 H HB . VAL A 1 81 ? -4.209 -1.998 -1.222 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 18 +ATOM 28513 H HG11 . VAL A 1 81 ? -6.722 -3.310 -2.211 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 18 +ATOM 28514 H HG12 . VAL A 1 81 ? -5.077 -3.636 -2.754 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 18 +ATOM 28515 H HG13 . VAL A 1 81 ? -5.810 -2.060 -3.056 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 18 +ATOM 28516 H HG21 . VAL A 1 81 ? -5.598 -0.853 0.390 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 18 +ATOM 28517 H HG22 . VAL A 1 81 ? -7.043 -1.611 -0.286 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 18 +ATOM 28518 H HG23 . VAL A 1 81 ? -6.103 -0.469 -1.255 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 18 +ATOM 28519 N N . GLY A 1 82 ? -6.798 -3.701 1.723 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 18 +ATOM 28520 C CA . GLY A 1 82 ? -8.077 -4.130 2.209 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 18 +ATOM 28521 C C . GLY A 1 82 ? -8.152 -4.163 3.704 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 18 +ATOM 28522 O O . GLY A 1 82 ? -7.912 -3.157 4.380 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 18 +ATOM 28523 H H . GLY A 1 82 ? -6.211 -3.157 2.294 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 18 +ATOM 28524 H HA2 . GLY A 1 82 ? -8.834 -3.461 1.831 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 18 +ATOM 28525 H HA3 . GLY A 1 82 ? -8.269 -5.122 1.828 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 18 +ATOM 28526 N N . LYS A 1 83 ? -8.476 -5.291 4.233 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 18 +ATOM 28527 C CA . LYS A 1 83 ? -8.619 -5.445 5.645 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 18 +ATOM 28528 C C . LYS A 1 83 ? -7.541 -6.371 6.158 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 18 +ATOM 28529 O O . LYS A 1 83 ? -7.004 -7.184 5.413 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 18 +ATOM 28530 C CB . LYS A 1 83 ? -10.014 -5.965 5.989 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 18 +ATOM 28531 C CG . LYS A 1 83 ? -11.139 -5.097 5.436 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 18 +ATOM 28532 C CD . LYS A 1 83 ? -12.502 -5.677 5.746 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 18 +ATOM 28533 C CE . LYS A 1 83 ? -13.606 -4.873 5.078 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 18 +ATOM 28534 N NZ . LYS A 1 83 ? -14.942 -5.447 5.326 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 18 +ATOM 28535 H H . LYS A 1 83 ? -8.611 -6.075 3.656 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 18 +ATOM 28536 H HA . LYS A 1 83 ? -8.484 -4.472 6.096 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 18 +ATOM 28537 H HB2 . LYS A 1 83 ? -10.129 -6.967 5.604 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 18 +ATOM 28538 H HB3 . LYS A 1 83 ? -10.111 -5.989 7.064 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 18 +ATOM 28539 H HG2 . LYS A 1 83 ? -11.067 -4.113 5.875 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 18 +ATOM 28540 H HG3 . LYS A 1 83 ? -11.023 -5.018 4.366 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 18 +ATOM 28541 H HD2 . LYS A 1 83 ? -12.543 -6.696 5.392 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 18 +ATOM 28542 H HD3 . LYS A 1 83 ? -12.651 -5.656 6.816 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 18 +ATOM 28543 H HE2 . LYS A 1 83 ? -13.585 -3.864 5.464 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 18 +ATOM 28544 H HE3 . LYS A 1 83 ? -13.421 -4.850 4.015 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 18 +ATOM 28545 H HZ1 . LYS A 1 83 ? -15.677 -4.927 4.806 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 18 +ATOM 28546 H HZ2 . LYS A 1 83 ? -15.177 -5.395 6.337 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 18 +ATOM 28547 H HZ3 . LYS A 1 83 ? -14.983 -6.447 5.043 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 18 +ATOM 28548 N N . ALA A 1 84 ? -7.236 -6.263 7.419 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 18 +ATOM 28549 C CA . ALA A 1 84 ? -6.157 -7.026 8.009 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 18 +ATOM 28550 C C . ALA A 1 84 ? -6.683 -8.279 8.671 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 18 +ATOM 28551 O O . ALA A 1 84 ? -5.973 -8.938 9.443 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 18 +ATOM 28552 C CB . ALA A 1 84 ? -5.416 -6.166 9.000 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 18 +ATOM 28553 H H . ALA A 1 84 ? -7.761 -5.675 8.006 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 18 +ATOM 28554 H HA . ALA A 1 84 ? -5.472 -7.304 7.221 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 18 +ATOM 28555 H HB1 . ALA A 1 84 ? -6.094 -5.866 9.785 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 18 +ATOM 28556 H HB2 . ALA A 1 84 ? -5.044 -5.286 8.497 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 18 +ATOM 28557 H HB3 . ALA A 1 84 ? -4.600 -6.729 9.424 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 18 +ATOM 28558 N N . GLU A 1 85 ? -7.901 -8.624 8.328 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 18 +ATOM 28559 C CA . GLU A 1 85 ? -8.577 -9.777 8.857 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 18 +ATOM 28560 C C . GLU A 1 85 ? -7.832 -11.017 8.418 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 18 +ATOM 28561 O O . GLU A 1 85 ? -7.500 -11.159 7.229 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 18 +ATOM 28562 C CB . GLU A 1 85 ? -10.019 -9.806 8.349 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 18 +ATOM 28563 C CG . GLU A 1 85 ? -10.767 -8.509 8.606 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 18 +ATOM 28564 C CD . GLU A 1 85 ? -12.198 -8.529 8.146 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 18 +ATOM 28565 O OE1 . GLU A 1 85 ? -12.456 -8.898 6.981 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 18 +ATOM 28566 O OE2 . GLU A 1 85 ? -13.104 -8.181 8.951 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 18 +ATOM 28567 H H . GLU A 1 85 ? -8.364 -8.080 7.662 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 18 +ATOM 28568 H HA . GLU A 1 85 ? -8.578 -9.716 9.935 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 18 +ATOM 28569 H HB2 . GLU A 1 85 ? -10.010 -9.988 7.285 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 18 +ATOM 28570 H HB3 . GLU A 1 85 ? -10.550 -10.605 8.842 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 18 +ATOM 28571 H HG2 . GLU A 1 85 ? -10.754 -8.306 9.666 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 18 +ATOM 28572 H HG3 . GLU A 1 85 ? -10.247 -7.716 8.090 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 18 +ATOM 28573 N N . ALA A 1 86 ? -7.482 -11.849 9.392 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 18 +ATOM 28574 C CA . ALA A 1 86 ? -6.740 -13.098 9.187 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 18 +ATOM 28575 C C . ALA A 1 86 ? -5.299 -12.830 8.733 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 18 +ATOM 28576 O O . ALA A 1 86 ? -4.581 -13.751 8.366 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 18 +ATOM 28577 C CB . ALA A 1 86 ? -7.470 -14.026 8.213 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 18 +ATOM 28578 H H . ALA A 1 86 ? -7.731 -11.615 10.311 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 18 +ATOM 28579 H HA . ALA A 1 86 ? -6.691 -13.585 10.151 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 18 +ATOM 28580 H HB1 . ALA A 1 86 ? -7.528 -13.534 7.253 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 18 +ATOM 28581 H HB2 . ALA A 1 86 ? -8.466 -14.221 8.582 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 18 +ATOM 28582 H HB3 . ALA A 1 86 ? -6.929 -14.955 8.113 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 18 +ATOM 28583 N N . SER A 1 87 ? -4.886 -11.551 8.796 1.00 0.00 ? ? ? ? ? ? 84 SER A N 18 +ATOM 28584 C CA . SER A 1 87 ? -3.551 -11.103 8.401 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 18 +ATOM 28585 C C . SER A 1 87 ? -3.263 -11.349 6.897 1.00 0.00 ? ? ? ? ? ? 84 SER A C 18 +ATOM 28586 O O . SER A 1 87 ? -2.100 -11.419 6.484 1.00 0.00 ? ? ? ? ? ? 84 SER A O 18 +ATOM 28587 C CB . SER A 1 87 ? -2.488 -11.755 9.301 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 18 +ATOM 28588 O OG . SER A 1 87 ? -2.768 -11.468 10.672 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 18 +ATOM 28589 H H . SER A 1 87 ? -5.514 -10.881 9.148 1.00 0.00 ? ? ? ? ? ? 84 SER A H 18 +ATOM 28590 H HA . SER A 1 87 ? -3.532 -10.037 8.570 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 18 +ATOM 28591 H HB2 . SER A 1 87 ? -2.498 -12.826 9.154 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 18 +ATOM 28592 H HB3 . SER A 1 87 ? -1.515 -11.358 9.052 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 18 +ATOM 28593 H HG . SER A 1 87 ? -3.705 -11.671 10.814 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 18 +ATOM 28594 N N . GLU A 1 88 ? -4.324 -11.369 6.077 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 18 +ATOM 28595 C CA . GLU A 1 88 ? -4.202 -11.615 4.639 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 18 +ATOM 28596 C C . GLU A 1 88 ? -3.291 -10.616 3.938 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 18 +ATOM 28597 O O . GLU A 1 88 ? -2.430 -11.011 3.149 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 18 +ATOM 28598 C CB . GLU A 1 88 ? -5.572 -11.627 3.982 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 18 +ATOM 28599 C CG . GLU A 1 88 ? -6.397 -12.845 4.327 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 18 +ATOM 28600 C CD . GLU A 1 88 ? -5.714 -14.118 3.891 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 18 +ATOM 28601 O OE1 . GLU A 1 88 ? -5.787 -14.475 2.694 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 18 +ATOM 28602 O OE2 . GLU A 1 88 ? -5.081 -14.787 4.724 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 18 +ATOM 28603 H H . GLU A 1 88 ? -5.227 -11.248 6.443 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 18 +ATOM 28604 H HA . GLU A 1 88 ? -3.770 -12.599 4.524 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 18 +ATOM 28605 H HB2 . GLU A 1 88 ? -6.117 -10.748 4.295 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 18 +ATOM 28606 H HB3 . GLU A 1 88 ? -5.435 -11.596 2.915 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 18 +ATOM 28607 H HG2 . GLU A 1 88 ? -6.548 -12.877 5.396 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 18 +ATOM 28608 H HG3 . GLU A 1 88 ? -7.352 -12.776 3.827 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 18 +ATOM 28609 N N . VAL A 1 89 ? -3.445 -9.337 4.263 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 18 +ATOM 28610 C CA . VAL A 1 89 ? -2.620 -8.286 3.653 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 18 +ATOM 28611 C C . VAL A 1 89 ? -1.130 -8.449 3.985 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 18 +ATOM 28612 O O . VAL A 1 89 ? -0.274 -8.047 3.208 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 18 +ATOM 28613 C CB . VAL A 1 89 ? -3.099 -6.845 4.015 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 18 +ATOM 28614 C CG1 . VAL A 1 89 ? -4.464 -6.555 3.411 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 18 +ATOM 28615 C CG2 . VAL A 1 89 ? -3.136 -6.630 5.521 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 18 +ATOM 28616 H H . VAL A 1 89 ? -4.143 -9.093 4.901 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 18 +ATOM 28617 H HA . VAL A 1 89 ? -2.715 -8.416 2.586 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 18 +ATOM 28618 H HB . VAL A 1 89 ? -2.396 -6.146 3.586 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 18 +ATOM 28619 H HG11 . VAL A 1 89 ? -4.779 -5.562 3.696 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 18 +ATOM 28620 H HG12 . VAL A 1 89 ? -5.182 -7.277 3.770 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 18 +ATOM 28621 H HG13 . VAL A 1 89 ? -4.405 -6.614 2.334 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 18 +ATOM 28622 H HG21 . VAL A 1 89 ? -3.799 -7.357 5.967 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 18 +ATOM 28623 H HG22 . VAL A 1 89 ? -3.493 -5.633 5.736 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 18 +ATOM 28624 H HG23 . VAL A 1 89 ? -2.143 -6.752 5.929 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 18 +ATOM 28625 N N . TYR A 1 90 ? -0.836 -9.075 5.115 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 18 +ATOM 28626 C CA . TYR A 1 90 ? 0.538 -9.297 5.528 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 18 +ATOM 28627 C C . TYR A 1 90 ? 1.063 -10.527 4.836 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 18 +ATOM 28628 O O . TYR A 1 90 ? 2.165 -10.525 4.301 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 18 +ATOM 28629 C CB . TYR A 1 90 ? 0.641 -9.495 7.044 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 18 +ATOM 28630 C CG . TYR A 1 90 ? 0.176 -8.325 7.868 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 18 +ATOM 28631 C CD1 . TYR A 1 90 ? -1.161 -8.162 8.177 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 18 +ATOM 28632 C CD2 . TYR A 1 90 ? 1.075 -7.390 8.351 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 18 +ATOM 28633 C CE1 . TYR A 1 90 ? -1.592 -7.105 8.934 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 18 +ATOM 28634 C CE2 . TYR A 1 90 ? 0.650 -6.329 9.118 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 18 +ATOM 28635 C CZ . TYR A 1 90 ? -0.689 -6.193 9.406 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 18 +ATOM 28636 O OH . TYR A 1 90 ? -1.131 -5.140 10.176 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 18 +ATOM 28637 H H . TYR A 1 90 ? -1.565 -9.428 5.666 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 18 +ATOM 28638 H HA . TYR A 1 90 ? 1.127 -8.441 5.237 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 18 +ATOM 28639 H HB2 . TYR A 1 90 ? 0.042 -10.349 7.322 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 18 +ATOM 28640 H HB3 . TYR A 1 90 ? 1.671 -9.695 7.297 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 18 +ATOM 28641 H HD1 . TYR A 1 90 ? -1.872 -8.883 7.802 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 18 +ATOM 28642 H HD2 . TYR A 1 90 ? 2.123 -7.501 8.119 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 18 +ATOM 28643 H HE1 . TYR A 1 90 ? -2.640 -6.997 9.160 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 18 +ATOM 28644 H HE2 . TYR A 1 90 ? 1.368 -5.613 9.485 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 18 +ATOM 28645 H HH . TYR A 1 90 ? -1.755 -5.502 10.821 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 18 +ATOM 28646 N N . SER A 1 91 ? 0.241 -11.569 4.824 1.00 0.00 ? ? ? ? ? ? 88 SER A N 18 +ATOM 28647 C CA . SER A 1 91 ? 0.592 -12.827 4.208 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 18 +ATOM 28648 C C . SER A 1 91 ? 0.907 -12.628 2.723 1.00 0.00 ? ? ? ? ? ? 88 SER A C 18 +ATOM 28649 O O . SER A 1 91 ? 1.965 -13.026 2.266 1.00 0.00 ? ? ? ? ? ? 88 SER A O 18 +ATOM 28650 C CB . SER A 1 91 ? -0.537 -13.860 4.403 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 18 +ATOM 28651 O OG . SER A 1 91 ? -0.181 -15.156 3.898 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 18 +ATOM 28652 H H . SER A 1 91 ? -0.632 -11.489 5.268 1.00 0.00 ? ? ? ? ? ? 88 SER A H 18 +ATOM 28653 H HA . SER A 1 91 ? 1.482 -13.191 4.701 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 18 +ATOM 28654 H HB2 . SER A 1 91 ? -0.766 -13.950 5.454 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 18 +ATOM 28655 H HB3 . SER A 1 91 ? -1.409 -13.513 3.869 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 18 +ATOM 28656 H HG . SER A 1 91 ? -1.016 -15.569 3.641 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 18 +ATOM 28657 N N . GLU A 1 92 ? 0.025 -11.937 2.004 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 18 +ATOM 28658 C CA . GLU A 1 92 ? 0.196 -11.715 0.564 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 18 +ATOM 28659 C C . GLU A 1 92 ? 1.483 -10.909 0.286 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 18 +ATOM 28660 O O . GLU A 1 92 ? 2.142 -11.088 -0.743 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 18 +ATOM 28661 C CB . GLU A 1 92 ? -1.036 -10.986 0.004 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 18 +ATOM 28662 C CG . GLU A 1 92 ? -1.101 -10.924 -1.518 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 18 +ATOM 28663 C CD . GLU A 1 92 ? -1.136 -12.300 -2.142 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 18 +ATOM 28664 O OE1 . GLU A 1 92 ? -2.133 -13.031 -1.945 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 18 +ATOM 28665 O OE2 . GLU A 1 92 ? -0.178 -12.679 -2.837 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 18 +ATOM 28666 H H . GLU A 1 92 ? -0.775 -11.566 2.441 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 18 +ATOM 28667 H HA . GLU A 1 92 ? 0.282 -12.682 0.090 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 18 +ATOM 28668 H HB2 . GLU A 1 92 ? -1.923 -11.493 0.354 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 18 +ATOM 28669 H HB3 . GLU A 1 92 ? -1.039 -9.975 0.384 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 18 +ATOM 28670 H HG2 . GLU A 1 92 ? -1.995 -10.391 -1.807 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 18 +ATOM 28671 H HG3 . GLU A 1 92 ? -0.232 -10.399 -1.885 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 18 +ATOM 28672 N N . ALA A 1 93 ? 1.856 -10.069 1.232 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 18 +ATOM 28673 C CA . ALA A 1 93 ? 3.038 -9.255 1.102 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 18 +ATOM 28674 C C . ALA A 1 93 ? 4.305 -10.070 1.372 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 18 +ATOM 28675 O O . ALA A 1 93 ? 5.281 -9.982 0.625 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 18 +ATOM 28676 C CB . ALA A 1 93 ? 2.960 -8.046 2.023 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 18 +ATOM 28677 H H . ALA A 1 93 ? 1.316 -10.008 2.048 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 18 +ATOM 28678 H HA . ALA A 1 93 ? 3.075 -8.904 0.084 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 18 +ATOM 28679 H HB1 . ALA A 1 93 ? 2.945 -8.380 3.050 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 18 +ATOM 28680 H HB2 . ALA A 1 93 ? 2.056 -7.492 1.813 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 18 +ATOM 28681 H HB3 . ALA A 1 93 ? 3.818 -7.412 1.861 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 18 +ATOM 28682 N N . VAL A 1 94 ? 4.285 -10.879 2.419 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 18 +ATOM 28683 C CA . VAL A 1 94 ? 5.459 -11.659 2.787 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 18 +ATOM 28684 C C . VAL A 1 94 ? 5.635 -12.901 1.882 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 18 +ATOM 28685 O O . VAL A 1 94 ? 6.764 -13.282 1.553 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 18 +ATOM 28686 C CB . VAL A 1 94 ? 5.472 -12.036 4.303 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 18 +ATOM 28687 C CG1 . VAL A 1 94 ? 4.339 -12.968 4.676 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 18 +ATOM 28688 C CG2 . VAL A 1 94 ? 6.811 -12.612 4.717 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 18 +ATOM 28689 H H . VAL A 1 94 ? 3.470 -10.933 2.967 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 18 +ATOM 28690 H HA . VAL A 1 94 ? 6.305 -11.016 2.588 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 18 +ATOM 28691 H HB . VAL A 1 94 ? 5.321 -11.120 4.856 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 18 +ATOM 28692 H HG11 . VAL A 1 94 ? 4.416 -13.881 4.105 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 18 +ATOM 28693 H HG12 . VAL A 1 94 ? 3.400 -12.483 4.455 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 18 +ATOM 28694 H HG13 . VAL A 1 94 ? 4.392 -13.196 5.730 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 18 +ATOM 28695 H HG21 . VAL A 1 94 ? 7.018 -13.497 4.135 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 18 +ATOM 28696 H HG22 . VAL A 1 94 ? 6.779 -12.869 5.766 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 18 +ATOM 28697 H HG23 . VAL A 1 94 ? 7.586 -11.879 4.549 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 18 +ATOM 28698 N N . LYS A 1 95 ? 4.514 -13.492 1.437 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 18 +ATOM 28699 C CA . LYS A 1 95 ? 4.543 -14.653 0.522 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 18 +ATOM 28700 C C . LYS A 1 95 ? 5.128 -14.246 -0.825 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 18 +ATOM 28701 O O . LYS A 1 95 ? 5.585 -15.084 -1.592 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 18 +ATOM 28702 C CB . LYS A 1 95 ? 3.129 -15.247 0.278 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 18 +ATOM 28703 C CG . LYS A 1 95 ? 2.422 -15.896 1.476 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 18 +ATOM 28704 C CD . LYS A 1 95 ? 3.193 -17.069 2.052 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 18 +ATOM 28705 C CE . LYS A 1 95 ? 2.354 -17.844 3.075 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 18 +ATOM 28706 N NZ . LYS A 1 95 ? 1.894 -17.016 4.219 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 18 +ATOM 28707 H H . LYS A 1 95 ? 3.643 -13.149 1.745 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 18 +ATOM 28708 H HA . LYS A 1 95 ? 5.174 -15.409 0.964 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 18 +ATOM 28709 H HB2 . LYS A 1 95 ? 2.486 -14.447 -0.061 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 18 +ATOM 28710 H HB3 . LYS A 1 95 ? 3.203 -15.981 -0.509 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 18 +ATOM 28711 H HG2 . LYS A 1 95 ? 2.297 -15.153 2.250 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 18 +ATOM 28712 H HG3 . LYS A 1 95 ? 1.449 -16.238 1.154 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 18 +ATOM 28713 H HD2 . LYS A 1 95 ? 3.473 -17.735 1.250 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 18 +ATOM 28714 H HD3 . LYS A 1 95 ? 4.081 -16.695 2.539 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 18 +ATOM 28715 H HE2 . LYS A 1 95 ? 1.484 -18.235 2.569 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 18 +ATOM 28716 H HE3 . LYS A 1 95 ? 2.936 -18.671 3.450 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 18 +ATOM 28717 H HZ1 . LYS A 1 95 ? 2.688 -16.576 4.728 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 18 +ATOM 28718 H HZ2 . LYS A 1 95 ? 1.398 -17.618 4.908 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 18 +ATOM 28719 H HZ3 . LYS A 1 95 ? 1.226 -16.266 3.936 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 18 +ATOM 28720 N N . ARG A 1 96 ? 5.096 -12.955 -1.100 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 18 +ATOM 28721 C CA . ARG A 1 96 ? 5.611 -12.405 -2.335 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 18 +ATOM 28722 C C . ARG A 1 96 ? 7.114 -12.574 -2.443 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 18 +ATOM 28723 O O . ARG A 1 96 ? 7.646 -12.839 -3.524 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 18 +ATOM 28724 C CB . ARG A 1 96 ? 5.288 -10.919 -2.435 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 18 +ATOM 28725 C CG . ARG A 1 96 ? 5.868 -10.262 -3.671 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 18 +ATOM 28726 C CD . ARG A 1 96 ? 5.792 -8.766 -3.592 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 18 +ATOM 28727 N NE . ARG A 1 96 ? 6.304 -8.145 -4.809 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 18 +ATOM 28728 C CZ . ARG A 1 96 ? 5.769 -7.072 -5.363 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 18 +ATOM 28729 N NH1 . ARG A 1 96 ? 4.871 -6.383 -4.697 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 18 +ATOM 28730 N NH2 . ARG A 1 96 ? 6.162 -6.663 -6.553 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 18 +ATOM 28731 H H . ARG A 1 96 ? 4.700 -12.353 -0.436 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 18 +ATOM 28732 H HA . ARG A 1 96 ? 5.141 -12.910 -3.158 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 18 +ATOM 28733 H HB2 . ARG A 1 96 ? 4.215 -10.798 -2.456 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 18 +ATOM 28734 H HB3 . ARG A 1 96 ? 5.681 -10.417 -1.563 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 18 +ATOM 28735 H HG2 . ARG A 1 96 ? 6.903 -10.555 -3.763 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 18 +ATOM 28736 H HG3 . ARG A 1 96 ? 5.323 -10.604 -4.538 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 18 +ATOM 28737 H HD2 . ARG A 1 96 ? 4.761 -8.477 -3.456 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 18 +ATOM 28738 H HD3 . ARG A 1 96 ? 6.378 -8.427 -2.751 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 18 +ATOM 28739 H HE . ARG A 1 96 ? 7.053 -8.620 -5.240 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 18 +ATOM 28740 H HH11 . ARG A 1 96 ? 4.588 -6.621 -3.771 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 18 +ATOM 28741 H HH12 . ARG A 1 96 ? 4.358 -5.612 -5.122 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 18 +ATOM 28742 H HH21 . ARG A 1 96 ? 6.880 -7.142 -7.069 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 18 +ATOM 28743 H HH22 . ARG A 1 96 ? 5.709 -5.882 -6.991 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 18 +ATOM 28744 N N . ILE A 1 97 ? 7.769 -12.445 -1.326 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 18 +ATOM 28745 C CA . ILE A 1 97 ? 9.206 -12.389 -1.270 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 18 +ATOM 28746 C C . ILE A 1 97 ? 9.862 -13.642 -1.810 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 18 +ATOM 28747 O O . ILE A 1 97 ? 9.511 -14.771 -1.448 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 18 +ATOM 28748 C CB . ILE A 1 97 ? 9.680 -12.075 0.149 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 18 +ATOM 28749 C CG1 . ILE A 1 97 ? 9.021 -10.777 0.591 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 18 +ATOM 28750 C CG2 . ILE A 1 97 ? 11.208 -11.937 0.201 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 18 +ATOM 28751 C CD1 . ILE A 1 97 ? 9.277 -10.439 2.007 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 18 +ATOM 28752 H H . ILE A 1 97 ? 7.262 -12.415 -0.487 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 18 +ATOM 28753 H HA . ILE A 1 97 ? 9.506 -11.568 -1.903 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 18 +ATOM 28754 H HB . ILE A 1 97 ? 9.367 -12.862 0.819 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 18 +ATOM 28755 H HG12 . ILE A 1 97 ? 9.394 -9.965 -0.015 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 18 +ATOM 28756 H HG13 . ILE A 1 97 ? 7.952 -10.855 0.451 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 18 +ATOM 28757 H HG21 . ILE A 1 97 ? 11.522 -11.751 1.218 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 18 +ATOM 28758 H HG22 . ILE A 1 97 ? 11.512 -11.110 -0.424 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 18 +ATOM 28759 H HG23 . ILE A 1 97 ? 11.666 -12.845 -0.162 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 18 +ATOM 28760 H HD11 . ILE A 1 97 ? 10.347 -10.364 2.132 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 18 +ATOM 28761 H HD12 . ILE A 1 97 ? 8.867 -11.247 2.594 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 18 +ATOM 28762 H HD13 . ILE A 1 97 ? 8.790 -9.504 2.235 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 18 +ATOM 28763 N N . LEU A 1 98 ? 10.769 -13.411 -2.706 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 18 +ATOM 28764 C CA . LEU A 1 98 ? 11.531 -14.424 -3.354 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 18 +ATOM 28765 C C . LEU A 1 98 ? 12.592 -14.925 -2.402 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 18 +ATOM 28766 O O . LEU A 1 98 ? 12.389 -15.966 -1.754 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 18 +ATOM 28767 C CB . LEU A 1 98 ? 12.188 -13.814 -4.581 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 18 +ATOM 28768 C CG . LEU A 1 98 ? 11.247 -13.234 -5.647 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 18 +ATOM 28769 C CD1 . LEU A 1 98 ? 12.040 -12.649 -6.805 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 18 +ATOM 28770 C CD2 . LEU A 1 98 ? 10.270 -14.291 -6.148 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 18 +ATOM 28771 O OXT . LEU A 1 98 ? 13.634 -14.253 -2.260 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 18 +ATOM 28772 H H . LEU A 1 98 ? 10.950 -12.481 -2.953 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 18 +ATOM 28773 H HA . LEU A 1 98 ? 10.887 -15.232 -3.665 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 18 +ATOM 28774 H HB2 . LEU A 1 98 ? 12.772 -12.995 -4.184 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 18 +ATOM 28775 H HB3 . LEU A 1 98 ? 12.844 -14.542 -5.033 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 18 +ATOM 28776 H HG . LEU A 1 98 ? 10.678 -12.431 -5.203 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 18 +ATOM 28777 H HD11 . LEU A 1 98 ? 12.638 -13.423 -7.262 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 18 +ATOM 28778 H HD12 . LEU A 1 98 ? 12.685 -11.865 -6.438 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 18 +ATOM 28779 H HD13 . LEU A 1 98 ? 11.360 -12.237 -7.536 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 18 +ATOM 28780 H HD21 . LEU A 1 98 ? 9.640 -13.861 -6.912 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 18 +ATOM 28781 H HD22 . LEU A 1 98 ? 9.653 -14.630 -5.328 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 18 +ATOM 28782 H HD23 . LEU A 1 98 ? 10.816 -15.128 -6.557 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 18 +ATOM 28783 N N . MET A 1 4 ? 10.299 15.261 -2.120 1.00 0.00 ? ? ? ? ? ? 1 MET A N 19 +ATOM 28784 C CA . MET A 1 4 ? 10.644 14.142 -2.986 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 19 +ATOM 28785 C C . MET A 1 4 ? 9.410 13.334 -3.179 1.00 0.00 ? ? ? ? ? ? 1 MET A C 19 +ATOM 28786 O O . MET A 1 4 ? 8.705 13.069 -2.225 1.00 0.00 ? ? ? ? ? ? 1 MET A O 19 +ATOM 28787 C CB . MET A 1 4 ? 11.724 13.269 -2.342 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 19 +ATOM 28788 C CG . MET A 1 4 ? 12.217 12.118 -3.220 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 19 +ATOM 28789 S SD . MET A 1 4 ? 13.476 11.097 -2.409 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 19 +ATOM 28790 C CE . MET A 1 4 ? 13.830 9.911 -3.714 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 19 +ATOM 28791 H H . MET A 1 4 ? 9.935 14.915 -1.211 1.00 0.00 ? ? ? ? ? ? 1 MET A H 19 +ATOM 28792 H HA . MET A 1 4 ? 10.990 14.516 -3.938 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 19 +ATOM 28793 H HB2 . MET A 1 4 ? 12.568 13.891 -2.084 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 19 +ATOM 28794 H HB3 . MET A 1 4 ? 11.298 12.845 -1.446 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 19 +ATOM 28795 H HG2 . MET A 1 4 ? 11.374 11.490 -3.468 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 19 +ATOM 28796 H HG3 . MET A 1 4 ? 12.632 12.526 -4.129 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 19 +ATOM 28797 H HE1 . MET A 1 4 ? 12.926 9.376 -3.967 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 19 +ATOM 28798 H HE2 . MET A 1 4 ? 14.576 9.210 -3.369 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 19 +ATOM 28799 H HE3 . MET A 1 4 ? 14.199 10.432 -4.585 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 19 +ATOM 28800 N N . ALA A 1 5 ? 9.151 12.950 -4.388 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 19 +ATOM 28801 C CA . ALA A 1 5 ? 7.968 12.190 -4.708 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 19 +ATOM 28802 C C . ALA A 1 5 ? 8.361 10.862 -5.309 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 19 +ATOM 28803 O O . ALA A 1 5 ? 9.437 10.733 -5.901 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 19 +ATOM 28804 C CB . ALA A 1 5 ? 7.068 12.964 -5.657 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 19 +ATOM 28805 H H . ALA A 1 5 ? 9.807 13.150 -5.090 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 19 +ATOM 28806 H HA . ALA A 1 5 ? 7.429 12.013 -3.788 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 19 +ATOM 28807 H HB1 . ALA A 1 5 ? 6.809 13.912 -5.210 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 19 +ATOM 28808 H HB2 . ALA A 1 5 ? 6.168 12.394 -5.834 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 19 +ATOM 28809 H HB3 . ALA A 1 5 ? 7.581 13.134 -6.592 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 19 +ATOM 28810 N N . TYR A 1 6 ? 7.522 9.890 -5.147 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 19 +ATOM 28811 C CA . TYR A 1 6 ? 7.781 8.559 -5.637 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 19 +ATOM 28812 C C . TYR A 1 6 ? 6.681 8.157 -6.597 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 19 +ATOM 28813 O O . TYR A 1 6 ? 5.601 8.756 -6.597 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 19 +ATOM 28814 C CB . TYR A 1 6 ? 7.829 7.552 -4.471 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 19 +ATOM 28815 C CG . TYR A 1 6 ? 8.985 7.720 -3.487 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 19 +ATOM 28816 C CD1 . TYR A 1 6 ? 9.082 8.836 -2.664 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 19 +ATOM 28817 C CD2 . TYR A 1 6 ? 9.966 6.747 -3.378 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 19 +ATOM 28818 C CE1 . TYR A 1 6 ? 10.120 8.979 -1.769 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 19 +ATOM 28819 C CE2 . TYR A 1 6 ? 11.004 6.880 -2.477 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 19 +ATOM 28820 C CZ . TYR A 1 6 ? 11.076 7.995 -1.677 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 19 +ATOM 28821 O OH . TYR A 1 6 ? 12.111 8.125 -0.775 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 19 +ATOM 28822 H H . TYR A 1 6 ? 6.669 10.058 -4.694 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 19 +ATOM 28823 H HA . TYR A 1 6 ? 8.732 8.553 -6.147 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 19 +ATOM 28824 H HB2 . TYR A 1 6 ? 6.915 7.639 -3.903 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 19 +ATOM 28825 H HB3 . TYR A 1 6 ? 7.886 6.555 -4.883 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 19 +ATOM 28826 H HD1 . TYR A 1 6 ? 8.328 9.608 -2.737 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 19 +ATOM 28827 H HD2 . TYR A 1 6 ? 9.911 5.871 -4.007 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 19 +ATOM 28828 H HE1 . TYR A 1 6 ? 10.176 9.855 -1.141 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 19 +ATOM 28829 H HE2 . TYR A 1 6 ? 11.761 6.114 -2.401 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 19 +ATOM 28830 H HH . TYR A 1 6 ? 12.894 7.692 -1.158 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 19 +ATOM 28831 N N . PHE A 1 7 ? 6.952 7.176 -7.411 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 19 +ATOM 28832 C CA . PHE A 1 7 ? 5.966 6.640 -8.322 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 19 +ATOM 28833 C C . PHE A 1 7 ? 5.068 5.685 -7.550 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 19 +ATOM 28834 O O . PHE A 1 7 ? 5.439 5.232 -6.480 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 19 +ATOM 28835 C CB . PHE A 1 7 ? 6.649 5.921 -9.493 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 19 +ATOM 28836 C CG . PHE A 1 7 ? 7.482 6.824 -10.361 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 19 +ATOM 28837 C CD1 . PHE A 1 7 ? 6.879 7.714 -11.235 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 19 +ATOM 28838 C CD2 . PHE A 1 7 ? 8.867 6.790 -10.298 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 19 +ATOM 28839 C CE1 . PHE A 1 7 ? 7.637 8.549 -12.029 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 19 +ATOM 28840 C CE2 . PHE A 1 7 ? 9.631 7.624 -11.090 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 19 +ATOM 28841 C CZ . PHE A 1 7 ? 9.016 8.504 -11.957 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 19 +ATOM 28842 H H . PHE A 1 7 ? 7.854 6.782 -7.396 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 19 +ATOM 28843 H HA . PHE A 1 7 ? 5.371 7.460 -8.696 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 19 +ATOM 28844 H HB2 . PHE A 1 7 ? 7.309 5.166 -9.091 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 19 +ATOM 28845 H HB3 . PHE A 1 7 ? 5.906 5.439 -10.111 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 19 +ATOM 28846 H HD1 . PHE A 1 7 ? 5.800 7.750 -11.293 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 19 +ATOM 28847 H HD2 . PHE A 1 7 ? 9.349 6.102 -9.621 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 19 +ATOM 28848 H HE1 . PHE A 1 7 ? 7.154 9.238 -12.707 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 19 +ATOM 28849 H HE2 . PHE A 1 7 ? 10.710 7.587 -11.031 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 19 +ATOM 28850 H HZ . PHE A 1 7 ? 9.611 9.158 -12.578 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 19 +ATOM 28851 N N . LEU A 1 8 ? 3.908 5.400 -8.056 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 19 +ATOM 28852 C CA . LEU A 1 8 ? 2.989 4.519 -7.361 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 19 +ATOM 28853 C C . LEU A 1 8 ? 2.589 3.395 -8.325 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 19 +ATOM 28854 O O . LEU A 1 8 ? 2.258 3.664 -9.497 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 19 +ATOM 28855 C CB . LEU A 1 8 ? 1.744 5.338 -6.905 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 19 +ATOM 28856 C CG . LEU A 1 8 ? 0.903 4.820 -5.702 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 19 +ATOM 28857 C CD1 . LEU A 1 8 ? 0.345 3.430 -5.920 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 19 +ATOM 28858 C CD2 . LEU A 1 8 ? 1.702 4.879 -4.417 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 19 +ATOM 28859 H H . LEU A 1 8 ? 3.646 5.769 -8.928 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 19 +ATOM 28860 H HA . LEU A 1 8 ? 3.489 4.103 -6.499 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 19 +ATOM 28861 H HB2 . LEU A 1 8 ? 2.083 6.332 -6.654 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 19 +ATOM 28862 H HB3 . LEU A 1 8 ? 1.087 5.421 -7.759 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 19 +ATOM 28863 H HG . LEU A 1 8 ? 0.053 5.479 -5.582 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 19 +ATOM 28864 H HD11 . LEU A 1 8 ? -0.180 3.107 -5.033 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 19 +ATOM 28865 H HD12 . LEU A 1 8 ? 1.157 2.748 -6.123 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 19 +ATOM 28866 H HD13 . LEU A 1 8 ? -0.337 3.440 -6.758 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 19 +ATOM 28867 H HD21 . LEU A 1 8 ? 1.101 4.500 -3.605 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 19 +ATOM 28868 H HD22 . LEU A 1 8 ? 1.972 5.904 -4.209 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 19 +ATOM 28869 H HD23 . LEU A 1 8 ? 2.591 4.276 -4.518 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 19 +ATOM 28870 N N . ASP A 1 9 ? 2.655 2.157 -7.872 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 19 +ATOM 28871 C CA . ASP A 1 9 ? 2.235 1.026 -8.691 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 19 +ATOM 28872 C C . ASP A 1 9 ? 1.592 -0.033 -7.791 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 19 +ATOM 28873 O O . ASP A 1 9 ? 1.869 -0.072 -6.587 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 19 +ATOM 28874 C CB . ASP A 1 9 ? 3.427 0.431 -9.458 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 19 +ATOM 28875 C CG . ASP A 1 9 ? 2.985 -0.443 -10.613 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 19 +ATOM 28876 O OD1 . ASP A 1 9 ? 2.694 -1.617 -10.417 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 19 +ATOM 28877 O OD2 . ASP A 1 9 ? 2.884 0.069 -11.745 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 19 +ATOM 28878 H H . ASP A 1 9 ? 2.988 1.976 -6.963 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 19 +ATOM 28879 H HA . ASP A 1 9 ? 1.494 1.384 -9.390 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 19 +ATOM 28880 H HB2 . ASP A 1 9 ? 4.038 1.231 -9.850 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 19 +ATOM 28881 H HB3 . ASP A 1 9 ? 4.012 -0.170 -8.778 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 19 +ATOM 28882 N N . PHE A 1 10 ? 0.739 -0.866 -8.353 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 19 +ATOM 28883 C CA . PHE A 1 10 ? 0.019 -1.884 -7.599 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 19 +ATOM 28884 C C . PHE A 1 10 ? 0.338 -3.277 -8.114 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 19 +ATOM 28885 O O . PHE A 1 10 ? 0.401 -3.501 -9.332 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 19 +ATOM 28886 C CB . PHE A 1 10 ? -1.514 -1.689 -7.714 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 19 +ATOM 28887 C CG . PHE A 1 10 ? -2.076 -0.438 -7.094 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 19 +ATOM 28888 C CD1 . PHE A 1 10 ? -2.070 0.763 -7.781 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 19 +ATOM 28889 C CD2 . PHE A 1 10 ? -2.628 -0.474 -5.827 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 19 +ATOM 28890 C CE1 . PHE A 1 10 ? -2.599 1.904 -7.214 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 19 +ATOM 28891 C CE2 . PHE A 1 10 ? -3.160 0.664 -5.255 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 19 +ATOM 28892 C CZ . PHE A 1 10 ? -3.145 1.855 -5.950 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 19 +ATOM 28893 H H . PHE A 1 10 ? 0.611 -0.827 -9.324 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 19 +ATOM 28894 H HA . PHE A 1 10 ? 0.295 -1.803 -6.559 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 19 +ATOM 28895 H HB2 . PHE A 1 10 ? -1.791 -1.681 -8.757 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 19 +ATOM 28896 H HB3 . PHE A 1 10 ? -1.995 -2.536 -7.247 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 19 +ATOM 28897 H HD1 . PHE A 1 10 ? -1.643 0.803 -8.772 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 19 +ATOM 28898 H HD2 . PHE A 1 10 ? -2.637 -1.404 -5.280 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 19 +ATOM 28899 H HE1 . PHE A 1 10 ? -2.583 2.836 -7.760 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 19 +ATOM 28900 H HE2 . PHE A 1 10 ? -3.588 0.623 -4.265 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 19 +ATOM 28901 H HZ . PHE A 1 10 ? -3.560 2.748 -5.505 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 19 +ATOM 28902 N N . ASP A 1 11 ? 0.545 -4.200 -7.203 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 19 +ATOM 28903 C CA . ASP A 1 11 ? 0.660 -5.622 -7.540 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 19 +ATOM 28904 C C . ASP A 1 11 ? -0.669 -6.089 -8.124 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 19 +ATOM 28905 O O . ASP A 1 11 ? -1.704 -5.484 -7.824 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 19 +ATOM 28906 C CB . ASP A 1 11 ? 0.991 -6.444 -6.284 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 19 +ATOM 28907 C CG . ASP A 1 11 ? 0.899 -7.930 -6.525 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 19 +ATOM 28908 O OD1 . ASP A 1 11 ? 1.833 -8.527 -7.080 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 19 +ATOM 28909 O OD2 . ASP A 1 11 ? -0.137 -8.526 -6.197 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 19 +ATOM 28910 H H . ASP A 1 11 ? 0.636 -3.935 -6.261 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 19 +ATOM 28911 H HA . ASP A 1 11 ? 1.442 -5.742 -8.276 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 19 +ATOM 28912 H HB2 . ASP A 1 11 ? 1.997 -6.212 -5.964 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 19 +ATOM 28913 H HB3 . ASP A 1 11 ? 0.300 -6.178 -5.499 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 19 +ATOM 28914 N N . GLU A 1 12 ? -0.660 -7.140 -8.946 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 19 +ATOM 28915 C CA . GLU A 1 12 ? -1.883 -7.625 -9.572 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 19 +ATOM 28916 C C . GLU A 1 12 ? -2.984 -7.905 -8.539 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 19 +ATOM 28917 O O . GLU A 1 12 ? -4.131 -7.515 -8.746 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 19 +ATOM 28918 C CB . GLU A 1 12 ? -1.649 -8.886 -10.413 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 19 +ATOM 28919 C CG . GLU A 1 12 ? -1.118 -10.075 -9.641 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 19 +ATOM 28920 C CD . GLU A 1 12 ? -1.280 -11.355 -10.392 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 19 +ATOM 28921 O OE1 . GLU A 1 12 ? -0.408 -11.702 -11.213 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 19 +ATOM 28922 O OE2 . GLU A 1 12 ? -2.284 -12.051 -10.169 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 19 +ATOM 28923 H H . GLU A 1 12 ? 0.189 -7.601 -9.126 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 19 +ATOM 28924 H HA . GLU A 1 12 ? -2.235 -6.839 -10.224 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 19 +ATOM 28925 H HB2 . GLU A 1 12 ? -2.586 -9.180 -10.864 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 19 +ATOM 28926 H HB3 . GLU A 1 12 ? -0.946 -8.648 -11.198 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 19 +ATOM 28927 H HG2 . GLU A 1 12 ? -0.070 -9.926 -9.429 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 19 +ATOM 28928 H HG3 . GLU A 1 12 ? -1.662 -10.150 -8.712 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 19 +ATOM 28929 N N . ARG A 1 13 ? -2.627 -8.510 -7.403 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 19 +ATOM 28930 C CA . ARG A 1 13 ? -3.615 -8.862 -6.409 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 19 +ATOM 28931 C C . ARG A 1 13 ? -4.121 -7.637 -5.711 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 19 +ATOM 28932 O O . ARG A 1 13 ? -5.321 -7.511 -5.452 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 19 +ATOM 28933 C CB . ARG A 1 13 ? -3.107 -9.901 -5.416 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 19 +ATOM 28934 C CG . ARG A 1 13 ? -2.794 -11.249 -6.045 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 19 +ATOM 28935 C CD . ARG A 1 13 ? -2.521 -12.281 -4.977 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 19 +ATOM 28936 N NE . ARG A 1 13 ? -2.289 -13.617 -5.524 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 19 +ATOM 28937 C CZ . ARG A 1 13 ? -2.368 -14.749 -4.809 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 19 +ATOM 28938 N NH1 . ARG A 1 13 ? -2.676 -14.706 -3.516 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 19 +ATOM 28939 N NH2 . ARG A 1 13 ? -2.130 -15.923 -5.389 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 19 +ATOM 28940 H H . ARG A 1 13 ? -1.674 -8.684 -7.210 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 19 +ATOM 28941 H HA . ARG A 1 13 ? -4.448 -9.277 -6.951 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 19 +ATOM 28942 H HB2 . ARG A 1 13 ? -2.205 -9.528 -4.955 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 19 +ATOM 28943 H HB3 . ARG A 1 13 ? -3.857 -10.050 -4.654 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 19 +ATOM 28944 H HG2 . ARG A 1 13 ? -3.628 -11.570 -6.651 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 19 +ATOM 28945 H HG3 . ARG A 1 13 ? -1.916 -11.150 -6.667 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 19 +ATOM 28946 H HD2 . ARG A 1 13 ? -1.644 -11.983 -4.423 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 19 +ATOM 28947 H HD3 . ARG A 1 13 ? -3.368 -12.320 -4.308 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 19 +ATOM 28948 H HE . ARG A 1 13 ? -2.055 -13.637 -6.481 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 19 +ATOM 28949 H HH11 . ARG A 1 13 ? -2.855 -13.846 -3.016 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 19 +ATOM 28950 H HH12 . ARG A 1 13 ? -2.738 -15.533 -2.952 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 19 +ATOM 28951 H HH21 . ARG A 1 13 ? -1.895 -15.996 -6.360 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 19 +ATOM 28952 H HH22 . ARG A 1 13 ? -2.162 -16.783 -4.872 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 19 +ATOM 28953 N N . ALA A 1 14 ? -3.223 -6.707 -5.473 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 19 +ATOM 28954 C CA . ALA A 1 14 ? -3.577 -5.445 -4.866 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 19 +ATOM 28955 C C . ALA A 1 14 ? -4.493 -4.664 -5.801 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 19 +ATOM 28956 O O . ALA A 1 14 ? -5.405 -3.988 -5.367 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 19 +ATOM 28957 C CB . ALA A 1 14 ? -2.329 -4.638 -4.547 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 19 +ATOM 28958 H H . ALA A 1 14 ? -2.287 -6.885 -5.709 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 19 +ATOM 28959 H HA . ALA A 1 14 ? -4.106 -5.651 -3.947 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 19 +ATOM 28960 H HB1 . ALA A 1 14 ? -1.691 -5.201 -3.881 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 19 +ATOM 28961 H HB2 . ALA A 1 14 ? -2.614 -3.710 -4.073 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 19 +ATOM 28962 H HB3 . ALA A 1 14 ? -1.795 -4.426 -5.461 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 19 +ATOM 28963 N N . LEU A 1 15 ? -4.278 -4.824 -7.095 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 19 +ATOM 28964 C CA . LEU A 1 15 ? -5.054 -4.128 -8.093 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 19 +ATOM 28965 C C . LEU A 1 15 ? -6.449 -4.734 -8.177 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 19 +ATOM 28966 O O . LEU A 1 15 ? -7.424 -4.032 -8.447 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 19 +ATOM 28967 C CB . LEU A 1 15 ? -4.369 -4.180 -9.462 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 19 +ATOM 28968 C CG . LEU A 1 15 ? -4.978 -3.307 -10.568 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 19 +ATOM 28969 C CD1 . LEU A 1 15 ? -4.895 -1.828 -10.209 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 19 +ATOM 28970 C CD2 . LEU A 1 15 ? -4.290 -3.580 -11.897 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 19 +ATOM 28971 H H . LEU A 1 15 ? -3.568 -5.446 -7.375 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 19 +ATOM 28972 H HA . LEU A 1 15 ? -5.135 -3.099 -7.777 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 19 +ATOM 28973 H HB2 . LEU A 1 15 ? -3.326 -3.923 -9.351 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 19 +ATOM 28974 H HB3 . LEU A 1 15 ? -4.445 -5.203 -9.791 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 19 +ATOM 28975 H HG . LEU A 1 15 ? -6.023 -3.558 -10.670 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 19 +ATOM 28976 H HD11 . LEU A 1 15 ? -5.314 -1.240 -11.013 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 19 +ATOM 28977 H HD12 . LEU A 1 15 ? -3.863 -1.549 -10.057 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 19 +ATOM 28978 H HD13 . LEU A 1 15 ? -5.455 -1.645 -9.305 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 19 +ATOM 28979 H HD21 . LEU A 1 15 ? -4.415 -4.618 -12.162 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 19 +ATOM 28980 H HD22 . LEU A 1 15 ? -3.237 -3.358 -11.809 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 19 +ATOM 28981 H HD23 . LEU A 1 15 ? -4.726 -2.955 -12.663 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 19 +ATOM 28982 N N . LYS A 1 16 ? -6.538 -6.044 -7.971 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 19 +ATOM 28983 C CA . LYS A 1 16 ? -7.821 -6.744 -7.988 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 19 +ATOM 28984 C C . LYS A 1 16 ? -8.658 -6.273 -6.822 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 19 +ATOM 28985 O O . LYS A 1 16 ? -9.827 -5.944 -6.982 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 19 +ATOM 28986 C CB . LYS A 1 16 ? -7.603 -8.254 -7.892 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 19 +ATOM 28987 C CG . LYS A 1 16 ? -6.797 -8.821 -9.038 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 19 +ATOM 28988 C CD . LYS A 1 16 ? -6.344 -10.232 -8.764 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 19 +ATOM 28989 C CE . LYS A 1 16 ? -5.377 -10.709 -9.842 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 19 +ATOM 28990 N NZ . LYS A 1 16 ? -4.926 -12.101 -9.628 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 19 +ATOM 28991 H H . LYS A 1 16 ? -5.717 -6.558 -7.798 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 19 +ATOM 28992 H HA . LYS A 1 16 ? -8.327 -6.512 -8.914 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 19 +ATOM 28993 H HB2 . LYS A 1 16 ? -7.079 -8.467 -6.971 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 19 +ATOM 28994 H HB3 . LYS A 1 16 ? -8.565 -8.744 -7.874 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 19 +ATOM 28995 H HG2 . LYS A 1 16 ? -7.408 -8.816 -9.926 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 19 +ATOM 28996 H HG3 . LYS A 1 16 ? -5.930 -8.196 -9.197 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 19 +ATOM 28997 H HD2 . LYS A 1 16 ? -5.831 -10.202 -7.816 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 19 +ATOM 28998 H HD3 . LYS A 1 16 ? -7.202 -10.885 -8.709 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 19 +ATOM 28999 H HE2 . LYS A 1 16 ? -5.879 -10.656 -10.796 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 19 +ATOM 29000 H HE3 . LYS A 1 16 ? -4.519 -10.054 -9.850 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 19 +ATOM 29001 H HZ1 . LYS A 1 16 ? -4.672 -12.320 -8.644 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 19 +ATOM 29002 H HZ2 . LYS A 1 16 ? -4.035 -12.253 -10.156 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 19 +ATOM 29003 H HZ3 . LYS A 1 16 ? -5.615 -12.801 -9.969 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 19 +ATOM 29004 N N . GLU A 1 17 ? -8.026 -6.174 -5.664 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 19 +ATOM 29005 C CA . GLU A 1 17 ? -8.688 -5.695 -4.478 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 19 +ATOM 29006 C C . GLU A 1 17 ? -9.041 -4.218 -4.624 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 19 +ATOM 29007 O O . GLU A 1 17 ? -10.095 -3.805 -4.230 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 19 +ATOM 29008 C CB . GLU A 1 17 ? -7.806 -5.916 -3.263 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 19 +ATOM 29009 C CG . GLU A 1 17 ? -7.490 -7.376 -2.995 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 19 +ATOM 29010 C CD . GLU A 1 17 ? -8.714 -8.198 -2.671 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 19 +ATOM 29011 O OE1 . GLU A 1 17 ? -9.322 -7.990 -1.604 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 19 +ATOM 29012 O OE2 . GLU A 1 17 ? -9.088 -9.078 -3.470 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 19 +ATOM 29013 H H . GLU A 1 17 ? -7.088 -6.459 -5.582 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 19 +ATOM 29014 H HA . GLU A 1 17 ? -9.598 -6.261 -4.357 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 19 +ATOM 29015 H HB2 . GLU A 1 17 ? -6.875 -5.389 -3.411 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 19 +ATOM 29016 H HB3 . GLU A 1 17 ? -8.302 -5.513 -2.393 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 19 +ATOM 29017 H HG2 . GLU A 1 17 ? -7.032 -7.785 -3.884 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 19 +ATOM 29018 H HG3 . GLU A 1 17 ? -6.787 -7.440 -2.180 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 19 +ATOM 29019 N N . TRP A 1 18 ? -8.150 -3.458 -5.233 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 19 +ATOM 29020 C CA . TRP A 1 18 ? -8.339 -2.022 -5.480 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 19 +ATOM 29021 C C . TRP A 1 18 ? -9.578 -1.759 -6.357 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 19 +ATOM 29022 O O . TRP A 1 18 ? -10.332 -0.811 -6.126 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 19 +ATOM 29023 C CB . TRP A 1 18 ? -7.068 -1.461 -6.149 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 19 +ATOM 29024 C CG . TRP A 1 18 ? -7.135 -0.026 -6.556 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 19 +ATOM 29025 C CD1 . TRP A 1 18 ? -7.406 0.450 -7.801 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 19 +ATOM 29026 C CD2 . TRP A 1 18 ? -6.911 1.117 -5.725 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 19 +ATOM 29027 N NE1 . TRP A 1 18 ? -7.385 1.820 -7.797 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 19 +ATOM 29028 C CE2 . TRP A 1 18 ? -7.077 2.257 -6.534 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 19 +ATOM 29029 C CE3 . TRP A 1 18 ? -6.590 1.288 -4.374 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 19 +ATOM 29030 C CZ2 . TRP A 1 18 ? -6.931 3.548 -6.039 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 19 +ATOM 29031 C CZ3 . TRP A 1 18 ? -6.444 2.570 -3.887 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 19 +ATOM 29032 C CH2 . TRP A 1 18 ? -6.614 3.684 -4.716 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 19 +ATOM 29033 H H . TRP A 1 18 ? -7.297 -3.865 -5.502 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 19 +ATOM 29034 H HA . TRP A 1 18 ? -8.474 -1.533 -4.527 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 19 +ATOM 29035 H HB2 . TRP A 1 18 ? -6.236 -1.567 -5.469 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 19 +ATOM 29036 H HB3 . TRP A 1 18 ? -6.869 -2.050 -7.032 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 19 +ATOM 29037 H HD1 . TRP A 1 18 ? -7.613 -0.187 -8.650 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 19 +ATOM 29038 H HE1 . TRP A 1 18 ? -7.567 2.384 -8.582 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 19 +ATOM 29039 H HE3 . TRP A 1 18 ? -6.457 0.438 -3.720 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 19 +ATOM 29040 H HZ2 . TRP A 1 18 ? -7.058 4.419 -6.666 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 19 +ATOM 29041 H HZ3 . TRP A 1 18 ? -6.194 2.722 -2.848 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 19 +ATOM 29042 H HH2 . TRP A 1 18 ? -6.488 4.666 -4.287 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 19 +ATOM 29043 N N . ARG A 1 19 ? -9.777 -2.592 -7.352 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 19 +ATOM 29044 C CA . ARG A 1 19 ? -10.934 -2.469 -8.239 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 19 +ATOM 29045 C C . ARG A 1 19 ? -12.200 -2.929 -7.544 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 19 +ATOM 29046 O O . ARG A 1 19 ? -13.288 -2.383 -7.753 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 19 +ATOM 29047 C CB . ARG A 1 19 ? -10.701 -3.268 -9.501 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 19 +ATOM 29048 C CG . ARG A 1 19 ? -9.700 -2.640 -10.439 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 19 +ATOM 29049 C CD . ARG A 1 19 ? -9.327 -3.597 -11.536 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 19 +ATOM 29050 N NE . ARG A 1 19 ? -8.400 -4.630 -11.054 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 19 +ATOM 29051 C CZ . ARG A 1 19 ? -8.188 -5.804 -11.652 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 19 +ATOM 29052 N NH1 . ARG A 1 19 ? -9.063 -6.273 -12.525 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 19 +ATOM 29053 N NH2 . ARG A 1 19 ? -7.146 -6.543 -11.309 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 19 +ATOM 29054 H H . ARG A 1 19 ? -9.122 -3.311 -7.491 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 19 +ATOM 29055 H HA . ARG A 1 19 ? -11.042 -1.429 -8.502 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 19 +ATOM 29056 H HB2 . ARG A 1 19 ? -10.340 -4.251 -9.229 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 19 +ATOM 29057 H HB3 . ARG A 1 19 ? -11.639 -3.370 -10.027 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 19 +ATOM 29058 H HG2 . ARG A 1 19 ? -10.116 -1.743 -10.874 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 19 +ATOM 29059 H HG3 . ARG A 1 19 ? -8.809 -2.395 -9.879 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 19 +ATOM 29060 H HD2 . ARG A 1 19 ? -10.236 -4.075 -11.869 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 19 +ATOM 29061 H HD3 . ARG A 1 19 ? -8.869 -3.051 -12.348 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 19 +ATOM 29062 H HE . ARG A 1 19 ? -7.867 -4.343 -10.277 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 19 +ATOM 29063 H HH11 . ARG A 1 19 ? -9.907 -5.786 -12.765 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 19 +ATOM 29064 H HH12 . ARG A 1 19 ? -8.924 -7.149 -12.997 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 19 +ATOM 29065 H HH21 . ARG A 1 19 ? -6.474 -6.289 -10.614 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 19 +ATOM 29066 H HH22 . ARG A 1 19 ? -6.979 -7.424 -11.767 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 19 +ATOM 29067 N N . LYS A 1 20 ? -12.027 -3.909 -6.708 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 19 +ATOM 29068 C CA . LYS A 1 20 ? -13.092 -4.511 -5.930 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 19 +ATOM 29069 C C . LYS A 1 20 ? -13.487 -3.608 -4.762 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 19 +ATOM 29070 O O . LYS A 1 20 ? -14.577 -3.746 -4.194 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 19 +ATOM 29071 C CB . LYS A 1 20 ? -12.573 -5.832 -5.395 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 19 +ATOM 29072 C CG . LYS A 1 20 ? -13.570 -6.706 -4.652 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 19 +ATOM 29073 C CD . LYS A 1 20 ? -12.866 -7.917 -4.050 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 19 +ATOM 29074 C CE . LYS A 1 20 ? -12.104 -8.693 -5.107 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 19 +ATOM 29075 N NZ . LYS A 1 20 ? -11.380 -9.844 -4.543 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 19 +ATOM 29076 H H . LYS A 1 20 ? -11.120 -4.275 -6.626 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 19 +ATOM 29077 H HA . LYS A 1 20 ? -13.941 -4.703 -6.565 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 19 +ATOM 29078 H HB2 . LYS A 1 20 ? -12.205 -6.390 -6.242 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 19 +ATOM 29079 H HB3 . LYS A 1 20 ? -11.741 -5.623 -4.737 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 19 +ATOM 29080 H HG2 . LYS A 1 20 ? -14.027 -6.128 -3.861 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 19 +ATOM 29081 H HG3 . LYS A 1 20 ? -14.325 -7.047 -5.343 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 19 +ATOM 29082 H HD2 . LYS A 1 20 ? -12.169 -7.584 -3.296 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 19 +ATOM 29083 H HD3 . LYS A 1 20 ? -13.602 -8.566 -3.601 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 19 +ATOM 29084 H HE2 . LYS A 1 20 ? -12.792 -9.019 -5.872 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 19 +ATOM 29085 H HE3 . LYS A 1 20 ? -11.389 -8.000 -5.527 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 19 +ATOM 29086 H HZ1 . LYS A 1 20 ? -10.591 -9.522 -3.936 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 19 +ATOM 29087 H HZ2 . LYS A 1 20 ? -10.986 -10.451 -5.286 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 19 +ATOM 29088 H HZ3 . LYS A 1 20 ? -12.002 -10.435 -3.956 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 19 +ATOM 29089 N N . LEU A 1 21 ? -12.607 -2.705 -4.413 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 19 +ATOM 29090 C CA . LEU A 1 21 ? -12.821 -1.835 -3.297 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 19 +ATOM 29091 C C . LEU A 1 21 ? -13.875 -0.797 -3.604 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 19 +ATOM 29092 O O . LEU A 1 21 ? -14.186 -0.529 -4.771 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 19 +ATOM 29093 C CB . LEU A 1 21 ? -11.524 -1.144 -2.867 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 19 +ATOM 29094 C CG . LEU A 1 21 ? -10.996 -1.481 -1.465 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 19 +ATOM 29095 C CD1 . LEU A 1 21 ? -10.751 -2.972 -1.293 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 19 +ATOM 29096 C CD2 . LEU A 1 21 ? -9.730 -0.711 -1.199 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 19 +ATOM 29097 H H . LEU A 1 21 ? -11.778 -2.628 -4.929 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 19 +ATOM 29098 H HA . LEU A 1 21 ? -13.140 -2.491 -2.501 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 19 +ATOM 29099 H HB2 . LEU A 1 21 ? -10.752 -1.348 -3.591 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 19 +ATOM 29100 H HB3 . LEU A 1 21 ? -11.714 -0.080 -2.892 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 19 +ATOM 29101 H HG . LEU A 1 21 ? -11.727 -1.179 -0.732 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 19 +ATOM 29102 H HD11 . LEU A 1 21 ? -11.677 -3.513 -1.426 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 19 +ATOM 29103 H HD12 . LEU A 1 21 ? -10.368 -3.161 -0.301 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 19 +ATOM 29104 H HD13 . LEU A 1 21 ? -10.032 -3.303 -2.027 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 19 +ATOM 29105 H HD21 . LEU A 1 21 ? -9.943 0.348 -1.261 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 19 +ATOM 29106 H HD22 . LEU A 1 21 ? -8.981 -0.973 -1.931 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 19 +ATOM 29107 H HD23 . LEU A 1 21 ? -9.367 -0.943 -0.209 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 19 +ATOM 29108 N N . GLY A 1 22 ? -14.390 -0.199 -2.560 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 19 +ATOM 29109 C CA . GLY A 1 22 ? -15.414 0.784 -2.698 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 19 +ATOM 29110 C C . GLY A 1 22 ? -14.869 2.097 -3.200 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 19 +ATOM 29111 O O . GLY A 1 22 ? -13.704 2.427 -2.949 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 19 +ATOM 29112 H H . GLY A 1 22 ? -14.041 -0.428 -1.677 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 19 +ATOM 29113 H HA2 . GLY A 1 22 ? -16.148 0.411 -3.397 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 19 +ATOM 29114 H HA3 . GLY A 1 22 ? -15.885 0.941 -1.739 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 19 +ATOM 29115 N N . SER A 1 23 ? -15.712 2.836 -3.867 1.00 0.00 ? ? ? ? ? ? 20 SER A N 19 +ATOM 29116 C CA . SER A 1 23 ? -15.401 4.120 -4.466 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 19 +ATOM 29117 C C . SER A 1 23 ? -14.786 5.105 -3.450 1.00 0.00 ? ? ? ? ? ? 20 SER A C 19 +ATOM 29118 O O . SER A 1 23 ? -13.691 5.627 -3.650 1.00 0.00 ? ? ? ? ? ? 20 SER A O 19 +ATOM 29119 C CB . SER A 1 23 ? -16.702 4.665 -5.031 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 19 +ATOM 29120 O OG . SER A 1 23 ? -17.752 4.522 -4.065 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 19 +ATOM 29121 H H . SER A 1 23 ? -16.633 2.516 -3.978 1.00 0.00 ? ? ? ? ? ? 20 SER A H 19 +ATOM 29122 H HA . SER A 1 23 ? -14.718 3.966 -5.286 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 19 +ATOM 29123 H HB2 . SER A 1 23 ? -16.585 5.713 -5.267 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 19 +ATOM 29124 H HB3 . SER A 1 23 ? -16.969 4.111 -5.918 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 19 +ATOM 29125 H HG . SER A 1 23 ? -18.508 5.026 -4.390 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 19 +ATOM 29126 N N . THR A 1 24 ? -15.478 5.299 -2.365 1.00 0.00 ? ? ? ? ? ? 21 THR A N 19 +ATOM 29127 C CA . THR A 1 24 ? -15.070 6.202 -1.313 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 19 +ATOM 29128 C C . THR A 1 24 ? -13.748 5.729 -0.687 1.00 0.00 ? ? ? ? ? ? 21 THR A C 19 +ATOM 29129 O O . THR A 1 24 ? -12.878 6.537 -0.331 1.00 0.00 ? ? ? ? ? ? 21 THR A O 19 +ATOM 29130 C CB . THR A 1 24 ? -16.155 6.229 -0.228 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 19 +ATOM 29131 O OG1 . THR A 1 24 ? -17.452 6.157 -0.862 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 19 +ATOM 29132 C CG2 . THR A 1 24 ? -16.068 7.517 0.584 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 19 +ATOM 29133 H H . THR A 1 24 ? -16.340 4.841 -2.296 1.00 0.00 ? ? ? ? ? ? 21 THR A H 19 +ATOM 29134 H HA . THR A 1 24 ? -14.958 7.196 -1.718 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 19 +ATOM 29135 H HB . THR A 1 24 ? -16.020 5.381 0.427 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 19 +ATOM 29136 H HG1 . THR A 1 24 ? -17.870 5.351 -0.536 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 19 +ATOM 29137 H HG21 . THR A 1 24 ? -16.195 8.364 -0.073 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 19 +ATOM 29138 H HG22 . THR A 1 24 ? -15.106 7.578 1.069 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 19 +ATOM 29139 H HG23 . THR A 1 24 ? -16.848 7.524 1.330 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 19 +ATOM 29140 N N . VAL A 1 25 ? -13.585 4.419 -0.616 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 19 +ATOM 29141 C CA . VAL A 1 25 ? -12.421 3.833 -0.010 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 19 +ATOM 29142 C C . VAL A 1 25 ? -11.211 4.038 -0.914 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 19 +ATOM 29143 O O . VAL A 1 25 ? -10.178 4.525 -0.465 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 19 +ATOM 29144 C CB . VAL A 1 25 ? -12.629 2.320 0.251 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 19 +ATOM 29145 C CG1 . VAL A 1 25 ? -11.427 1.722 0.954 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 19 +ATOM 29146 C CG2 . VAL A 1 25 ? -13.897 2.075 1.059 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 19 +ATOM 29147 H H . VAL A 1 25 ? -14.259 3.835 -1.017 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 19 +ATOM 29148 H HA . VAL A 1 25 ? -12.247 4.329 0.934 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 19 +ATOM 29149 H HB . VAL A 1 25 ? -12.736 1.829 -0.706 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 19 +ATOM 29150 H HG11 . VAL A 1 25 ? -11.586 0.665 1.106 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 19 +ATOM 29151 H HG12 . VAL A 1 25 ? -11.296 2.202 1.912 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 19 +ATOM 29152 H HG13 . VAL A 1 25 ? -10.542 1.872 0.353 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 19 +ATOM 29153 H HG21 . VAL A 1 25 ? -14.020 1.014 1.223 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 19 +ATOM 29154 H HG22 . VAL A 1 25 ? -14.751 2.458 0.519 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 19 +ATOM 29155 H HG23 . VAL A 1 25 ? -13.819 2.580 2.011 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 19 +ATOM 29156 N N . ARG A 1 26 ? -11.371 3.731 -2.202 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 19 +ATOM 29157 C CA . ARG A 1 26 ? -10.287 3.905 -3.149 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 19 +ATOM 29158 C C . ARG A 1 26 ? -9.888 5.374 -3.280 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 19 +ATOM 29159 O O . ARG A 1 26 ? -8.705 5.684 -3.333 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 19 +ATOM 29160 C CB . ARG A 1 26 ? -10.590 3.310 -4.537 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 19 +ATOM 29161 C CG . ARG A 1 26 ? -11.783 3.923 -5.260 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 19 +ATOM 29162 C CD . ARG A 1 26 ? -11.583 3.875 -6.756 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 19 +ATOM 29163 N NE . ARG A 1 26 ? -12.674 4.508 -7.504 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 19 +ATOM 29164 C CZ . ARG A 1 26 ? -12.865 4.394 -8.826 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 19 +ATOM 29165 N NH1 . ARG A 1 26 ? -12.062 3.631 -9.564 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 19 +ATOM 29166 N NH2 . ARG A 1 26 ? -13.871 5.032 -9.400 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 19 +ATOM 29167 H H . ARG A 1 26 ? -12.224 3.348 -2.511 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 19 +ATOM 29168 H HA . ARG A 1 26 ? -9.439 3.382 -2.731 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 19 +ATOM 29169 H HB2 . ARG A 1 26 ? -9.719 3.426 -5.164 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 19 +ATOM 29170 H HB3 . ARG A 1 26 ? -10.783 2.253 -4.406 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 19 +ATOM 29171 H HG2 . ARG A 1 26 ? -12.640 3.310 -5.017 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 19 +ATOM 29172 H HG3 . ARG A 1 26 ? -11.985 4.930 -4.926 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 19 +ATOM 29173 H HD2 . ARG A 1 26 ? -10.657 4.374 -6.998 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 19 +ATOM 29174 H HD3 . ARG A 1 26 ? -11.513 2.840 -7.045 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 19 +ATOM 29175 H HE . ARG A 1 26 ? -13.288 5.070 -6.977 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 19 +ATOM 29176 H HH11 . ARG A 1 26 ? -11.300 3.118 -9.161 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 19 +ATOM 29177 H HH12 . ARG A 1 26 ? -12.168 3.548 -10.559 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 19 +ATOM 29178 H HH21 . ARG A 1 26 ? -14.497 5.606 -8.862 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 19 +ATOM 29179 H HH22 . ARG A 1 26 ? -14.059 4.973 -10.382 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 19 +ATOM 29180 N N . GLU A 1 27 ? -10.877 6.273 -3.299 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 19 +ATOM 29181 C CA . GLU A 1 27 ? -10.601 7.694 -3.408 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 19 +ATOM 29182 C C . GLU A 1 27 ? -9.783 8.197 -2.240 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 19 +ATOM 29183 O O . GLU A 1 27 ? -8.809 8.920 -2.434 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 19 +ATOM 29184 C CB . GLU A 1 27 ? -11.871 8.520 -3.601 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 19 +ATOM 29185 C CG . GLU A 1 27 ? -12.481 8.364 -4.982 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 19 +ATOM 29186 C CD . GLU A 1 27 ? -13.670 9.261 -5.210 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 19 +ATOM 29187 O OE1 . GLU A 1 27 ? -13.484 10.487 -5.386 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 19 +ATOM 29188 O OE2 . GLU A 1 27 ? -14.807 8.756 -5.254 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 19 +ATOM 29189 H H . GLU A 1 27 ? -11.812 5.970 -3.256 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 19 +ATOM 29190 H HA . GLU A 1 27 ? -9.985 7.807 -4.288 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 19 +ATOM 29191 H HB2 . GLU A 1 27 ? -12.597 8.190 -2.872 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 19 +ATOM 29192 H HB3 . GLU A 1 27 ? -11.647 9.564 -3.437 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 19 +ATOM 29193 H HG2 . GLU A 1 27 ? -11.730 8.600 -5.722 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 19 +ATOM 29194 H HG3 . GLU A 1 27 ? -12.792 7.338 -5.107 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 19 +ATOM 29195 N N . GLN A 1 28 ? -10.133 7.774 -1.037 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 19 +ATOM 29196 C CA . GLN A 1 28 ? -9.376 8.182 0.131 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 19 +ATOM 29197 C C . GLN A 1 28 ? -8.010 7.548 0.154 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 19 +ATOM 29198 O O . GLN A 1 28 ? -7.041 8.233 0.396 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 19 +ATOM 29199 C CB . GLN A 1 28 ? -10.129 7.982 1.453 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 19 +ATOM 29200 C CG . GLN A 1 28 ? -10.823 9.252 1.978 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 19 +ATOM 29201 C CD . GLN A 1 28 ? -11.781 9.939 0.999 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 19 +ATOM 29202 O OE1 . GLN A 1 28 ? -11.918 11.163 1.019 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 19 +ATOM 29203 N NE2 . GLN A 1 28 ? -12.501 9.198 0.202 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 19 +ATOM 29204 H H . GLN A 1 28 ? -10.900 7.167 -0.947 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 19 +ATOM 29205 H HA . GLN A 1 28 ? -9.206 9.241 -0.006 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 19 +ATOM 29206 H HB2 . GLN A 1 28 ? -10.873 7.210 1.329 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 19 +ATOM 29207 H HB3 . GLN A 1 28 ? -9.401 7.677 2.197 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 19 +ATOM 29208 H HG2 . GLN A 1 28 ? -11.392 8.988 2.857 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 19 +ATOM 29209 H HG3 . GLN A 1 28 ? -10.057 9.960 2.262 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 19 +ATOM 29210 H HE21 . GLN A 1 28 ? -12.429 8.217 0.245 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 19 +ATOM 29211 H HE22 . GLN A 1 28 ? -13.091 9.656 -0.434 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 19 +ATOM 29212 N N . LEU A 1 29 ? -7.923 6.255 -0.163 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 19 +ATOM 29213 C CA . LEU A 1 29 ? -6.629 5.567 -0.215 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 19 +ATOM 29214 C C . LEU A 1 29 ? -5.706 6.228 -1.213 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 19 +ATOM 29215 O O . LEU A 1 29 ? -4.527 6.403 -0.943 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 19 +ATOM 29216 C CB . LEU A 1 29 ? -6.781 4.090 -0.551 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 19 +ATOM 29217 C CG . LEU A 1 29 ? -7.444 3.219 0.509 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 19 +ATOM 29218 C CD1 . LEU A 1 29 ? -7.591 1.808 0.002 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 19 +ATOM 29219 C CD2 . LEU A 1 29 ? -6.648 3.232 1.809 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 19 +ATOM 29220 H H . LEU A 1 29 ? -8.743 5.747 -0.358 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 19 +ATOM 29221 H HA . LEU A 1 29 ? -6.180 5.662 0.763 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 19 +ATOM 29222 H HB2 . LEU A 1 29 ? -7.372 4.025 -1.453 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 19 +ATOM 29223 H HB3 . LEU A 1 29 ? -5.798 3.692 -0.757 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 19 +ATOM 29224 H HG . LEU A 1 29 ? -8.432 3.603 0.708 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 19 +ATOM 29225 H HD11 . LEU A 1 29 ? -8.076 1.204 0.753 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 19 +ATOM 29226 H HD12 . LEU A 1 29 ? -6.615 1.399 -0.208 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 19 +ATOM 29227 H HD13 . LEU A 1 29 ? -8.188 1.807 -0.899 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 19 +ATOM 29228 H HD21 . LEU A 1 29 ? -5.641 2.891 1.619 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 19 +ATOM 29229 H HD22 . LEU A 1 29 ? -7.120 2.570 2.519 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 19 +ATOM 29230 H HD23 . LEU A 1 29 ? -6.623 4.231 2.218 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 19 +ATOM 29231 N N . LYS A 1 30 ? -6.263 6.618 -2.349 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 19 +ATOM 29232 C CA . LYS A 1 30 ? -5.519 7.321 -3.374 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 19 +ATOM 29233 C C . LYS A 1 30 ? -4.959 8.626 -2.813 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 19 +ATOM 29234 O O . LYS A 1 30 ? -3.794 8.925 -2.998 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 19 +ATOM 29235 C CB . LYS A 1 30 ? -6.441 7.649 -4.534 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 19 +ATOM 29236 C CG . LYS A 1 30 ? -5.777 8.428 -5.656 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 19 +ATOM 29237 C CD . LYS A 1 30 ? -6.796 8.955 -6.642 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 19 +ATOM 29238 C CE . LYS A 1 30 ? -7.725 9.983 -5.992 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 19 +ATOM 29239 N NZ . LYS A 1 30 ? -8.707 10.516 -6.951 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 19 +ATOM 29240 H H . LYS A 1 30 ? -7.208 6.397 -2.509 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 19 +ATOM 29241 H HA . LYS A 1 30 ? -4.718 6.692 -3.729 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 19 +ATOM 29242 H HB2 . LYS A 1 30 ? -6.837 6.730 -4.942 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 19 +ATOM 29243 H HB3 . LYS A 1 30 ? -7.256 8.235 -4.141 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 19 +ATOM 29244 H HG2 . LYS A 1 30 ? -5.239 9.261 -5.228 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 19 +ATOM 29245 H HG3 . LYS A 1 30 ? -5.086 7.778 -6.172 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 19 +ATOM 29246 H HD2 . LYS A 1 30 ? -6.273 9.424 -7.462 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 19 +ATOM 29247 H HD3 . LYS A 1 30 ? -7.385 8.129 -7.010 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 19 +ATOM 29248 H HE2 . LYS A 1 30 ? -8.262 9.522 -5.176 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 19 +ATOM 29249 H HE3 . LYS A 1 30 ? -7.119 10.792 -5.609 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 19 +ATOM 29250 H HZ1 . LYS A 1 30 ? -8.218 11.028 -7.710 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 19 +ATOM 29251 H HZ2 . LYS A 1 30 ? -9.384 11.157 -6.490 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 19 +ATOM 29252 H HZ3 . LYS A 1 30 ? -9.256 9.745 -7.383 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 19 +ATOM 29253 N N . LYS A 1 31 ? -5.792 9.360 -2.077 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 19 +ATOM 29254 C CA . LYS A 1 31 ? -5.383 10.629 -1.468 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 19 +ATOM 29255 C C . LYS A 1 31 ? -4.281 10.382 -0.469 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 19 +ATOM 29256 O O . LYS A 1 31 ? -3.326 11.155 -0.375 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 19 +ATOM 29257 C CB . LYS A 1 31 ? -6.554 11.307 -0.754 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 19 +ATOM 29258 C CG . LYS A 1 31 ? -7.723 11.662 -1.641 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 19 +ATOM 29259 C CD . LYS A 1 31 ? -8.861 12.232 -0.821 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 19 +ATOM 29260 C CE . LYS A 1 31 ? -10.083 12.500 -1.675 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 19 +ATOM 29261 N NZ . LYS A 1 31 ? -11.191 13.042 -0.867 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 19 +ATOM 29262 H H . LYS A 1 31 ? -6.710 9.038 -1.936 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 19 +ATOM 29263 H HA . LYS A 1 31 ? -5.020 11.279 -2.251 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 19 +ATOM 29264 H HB2 . LYS A 1 31 ? -6.915 10.643 0.019 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 19 +ATOM 29265 H HB3 . LYS A 1 31 ? -6.193 12.212 -0.290 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 19 +ATOM 29266 H HG2 . LYS A 1 31 ? -7.407 12.399 -2.365 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 19 +ATOM 29267 H HG3 . LYS A 1 31 ? -8.066 10.774 -2.150 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 19 +ATOM 29268 H HD2 . LYS A 1 31 ? -9.127 11.529 -0.045 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 19 +ATOM 29269 H HD3 . LYS A 1 31 ? -8.538 13.159 -0.371 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 19 +ATOM 29270 H HE2 . LYS A 1 31 ? -9.827 13.210 -2.446 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 19 +ATOM 29271 H HE3 . LYS A 1 31 ? -10.397 11.572 -2.129 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 19 +ATOM 29272 H HZ1 . LYS A 1 31 ? -11.465 12.374 -0.114 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 19 +ATOM 29273 H HZ2 . LYS A 1 31 ? -12.040 13.202 -1.447 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 19 +ATOM 29274 H HZ3 . LYS A 1 31 ? -10.938 13.949 -0.430 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 19 +ATOM 29275 N N . LYS A 1 32 ? -4.402 9.275 0.246 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 19 +ATOM 29276 C CA . LYS A 1 32 ? -3.438 8.895 1.252 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 19 +ATOM 29277 C C . LYS A 1 32 ? -2.103 8.558 0.623 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 19 +ATOM 29278 O O . LYS A 1 32 ? -1.053 8.826 1.207 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 19 +ATOM 29279 C CB . LYS A 1 32 ? -3.953 7.744 2.136 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 19 +ATOM 29280 C CG . LYS A 1 32 ? -5.310 8.017 2.792 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 19 +ATOM 29281 C CD . LYS A 1 32 ? -5.289 9.248 3.677 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 19 +ATOM 29282 C CE . LYS A 1 32 ? -4.572 8.980 4.969 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 19 +ATOM 29283 N NZ . LYS A 1 32 ? -4.298 10.220 5.722 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 19 +ATOM 29284 H H . LYS A 1 32 ? -5.191 8.710 0.093 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 19 +ATOM 29285 H HA . LYS A 1 32 ? -3.279 9.768 1.859 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 19 +ATOM 29286 H HB2 . LYS A 1 32 ? -4.045 6.860 1.523 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 19 +ATOM 29287 H HB3 . LYS A 1 32 ? -3.229 7.556 2.913 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 19 +ATOM 29288 H HG2 . LYS A 1 32 ? -6.047 8.165 2.017 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 19 +ATOM 29289 H HG3 . LYS A 1 32 ? -5.586 7.157 3.386 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 19 +ATOM 29290 H HD2 . LYS A 1 32 ? -4.804 10.064 3.165 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 19 +ATOM 29291 H HD3 . LYS A 1 32 ? -6.311 9.523 3.898 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 19 +ATOM 29292 H HE2 . LYS A 1 32 ? -5.245 8.355 5.541 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 19 +ATOM 29293 H HE3 . LYS A 1 32 ? -3.659 8.443 4.770 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 19 +ATOM 29294 H HZ1 . LYS A 1 32 ? -3.631 10.823 5.190 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 19 +ATOM 29295 H HZ2 . LYS A 1 32 ? -3.870 10.001 6.644 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 19 +ATOM 29296 H HZ3 . LYS A 1 32 ? -5.177 10.754 5.874 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 19 +ATOM 29297 N N . LEU A 1 33 ? -2.150 7.973 -0.548 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 19 +ATOM 29298 C CA . LEU A 1 33 ? -0.963 7.694 -1.314 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 19 +ATOM 29299 C C . LEU A 1 33 ? -0.358 9.004 -1.803 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 19 +ATOM 29300 O O . LEU A 1 33 ? 0.833 9.229 -1.679 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 19 +ATOM 29301 C CB . LEU A 1 33 ? -1.292 6.781 -2.497 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 19 +ATOM 29302 C CG . LEU A 1 33 ? -1.908 5.425 -2.134 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 19 +ATOM 29303 C CD1 . LEU A 1 33 ? -2.255 4.637 -3.381 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 19 +ATOM 29304 C CD2 . LEU A 1 33 ? -0.978 4.631 -1.229 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 19 +ATOM 29305 H H . LEU A 1 33 ? -3.021 7.692 -0.909 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 19 +ATOM 29306 H HA . LEU A 1 33 ? -0.262 7.194 -0.663 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 19 +ATOM 29307 H HB2 . LEU A 1 33 ? -1.980 7.305 -3.145 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 19 +ATOM 29308 H HB3 . LEU A 1 33 ? -0.380 6.598 -3.046 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 19 +ATOM 29309 H HG . LEU A 1 33 ? -2.830 5.601 -1.600 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 19 +ATOM 29310 H HD11 . LEU A 1 33 ? -2.983 5.184 -3.961 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 19 +ATOM 29311 H HD12 . LEU A 1 33 ? -2.659 3.676 -3.103 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 19 +ATOM 29312 H HD13 . LEU A 1 33 ? -1.362 4.498 -3.970 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 19 +ATOM 29313 H HD21 . LEU A 1 33 ? -0.028 4.483 -1.720 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 19 +ATOM 29314 H HD22 . LEU A 1 33 ? -1.426 3.673 -1.010 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 19 +ATOM 29315 H HD23 . LEU A 1 33 ? -0.832 5.178 -0.309 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 19 +ATOM 29316 N N . VAL A 1 34 ? -1.218 9.890 -2.283 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 19 +ATOM 29317 C CA . VAL A 1 34 ? -0.815 11.188 -2.818 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 19 +ATOM 29318 C C . VAL A 1 34 ? -0.097 12.049 -1.756 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 19 +ATOM 29319 O O . VAL A 1 34 ? 0.951 12.659 -2.035 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 19 +ATOM 29320 C CB . VAL A 1 34 ? -2.057 11.944 -3.404 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 19 +ATOM 29321 C CG1 . VAL A 1 34 ? -1.742 13.383 -3.754 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 19 +ATOM 29322 C CG2 . VAL A 1 34 ? -2.565 11.223 -4.633 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 19 +ATOM 29323 H H . VAL A 1 34 ? -2.172 9.648 -2.288 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 19 +ATOM 29324 H HA . VAL A 1 34 ? -0.121 10.998 -3.625 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 19 +ATOM 29325 H HB . VAL A 1 34 ? -2.856 11.937 -2.674 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 19 +ATOM 29326 H HG11 . VAL A 1 34 ? -0.957 13.411 -4.495 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 19 +ATOM 29327 H HG12 . VAL A 1 34 ? -1.423 13.889 -2.856 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 19 +ATOM 29328 H HG13 . VAL A 1 34 ? -2.633 13.856 -4.140 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 19 +ATOM 29329 H HG21 . VAL A 1 34 ? -1.790 11.177 -5.383 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 19 +ATOM 29330 H HG22 . VAL A 1 34 ? -3.428 11.743 -5.022 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 19 +ATOM 29331 H HG23 . VAL A 1 34 ? -2.847 10.221 -4.339 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 19 +ATOM 29332 N N . GLU A 1 35 ? -0.639 12.093 -0.558 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 19 +ATOM 29333 C CA . GLU A 1 35 ? -0.001 12.818 0.529 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 19 +ATOM 29334 C C . GLU A 1 35 ? 1.303 12.118 0.977 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 19 +ATOM 29335 O O . GLU A 1 35 ? 2.370 12.759 1.102 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 19 +ATOM 29336 C CB . GLU A 1 35 ? -0.974 13.021 1.714 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 19 +ATOM 29337 C CG . GLU A 1 35 ? -1.594 11.737 2.223 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 19 +ATOM 29338 C CD . GLU A 1 35 ? -2.463 11.897 3.438 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 19 +ATOM 29339 O OE1 . GLU A 1 35 ? -3.567 12.433 3.336 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 19 +ATOM 29340 O OE2 . GLU A 1 35 ? -2.073 11.425 4.527 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 19 +ATOM 29341 H H . GLU A 1 35 ? -1.503 11.645 -0.408 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 19 +ATOM 29342 H HA . GLU A 1 35 ? 0.273 13.784 0.132 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 19 +ATOM 29343 H HB2 . GLU A 1 35 ? -0.454 13.496 2.533 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 19 +ATOM 29344 H HB3 . GLU A 1 35 ? -1.773 13.668 1.384 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 19 +ATOM 29345 H HG2 . GLU A 1 35 ? -2.200 11.337 1.425 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 19 +ATOM 29346 H HG3 . GLU A 1 35 ? -0.800 11.039 2.445 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 19 +ATOM 29347 N N . VAL A 1 36 ? 1.231 10.797 1.118 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 19 +ATOM 29348 C CA . VAL A 1 36 ? 2.317 10.007 1.666 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 19 +ATOM 29349 C C . VAL A 1 36 ? 3.576 10.078 0.808 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 19 +ATOM 29350 O O . VAL A 1 36 ? 4.650 9.995 1.323 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 19 +ATOM 29351 C CB . VAL A 1 36 ? 1.924 8.532 1.994 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 19 +ATOM 29352 C CG1 . VAL A 1 36 ? 2.048 7.595 0.796 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 19 +ATOM 29353 C CG2 . VAL A 1 36 ? 2.702 8.023 3.193 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 19 +ATOM 29354 H H . VAL A 1 36 ? 0.413 10.328 0.841 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 19 +ATOM 29355 H HA . VAL A 1 36 ? 2.567 10.500 2.595 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 19 +ATOM 29356 H HB . VAL A 1 36 ? 0.879 8.545 2.265 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 19 +ATOM 29357 H HG11 . VAL A 1 36 ? 1.445 7.978 -0.014 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 19 +ATOM 29358 H HG12 . VAL A 1 36 ? 1.708 6.607 1.066 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 19 +ATOM 29359 H HG13 . VAL A 1 36 ? 3.081 7.549 0.483 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 19 +ATOM 29360 H HG21 . VAL A 1 36 ? 2.457 6.988 3.379 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 19 +ATOM 29361 H HG22 . VAL A 1 36 ? 2.446 8.615 4.061 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 19 +ATOM 29362 H HG23 . VAL A 1 36 ? 3.756 8.121 2.992 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 19 +ATOM 29363 N N . LEU A 1 37 ? 3.412 10.268 -0.500 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 19 +ATOM 29364 C CA . LEU A 1 37 ? 4.526 10.275 -1.459 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 19 +ATOM 29365 C C . LEU A 1 37 ? 5.651 11.247 -1.099 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 19 +ATOM 29366 O O . LEU A 1 37 ? 6.793 10.992 -1.465 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 19 +ATOM 29367 C CB . LEU A 1 37 ? 4.028 10.587 -2.879 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 19 +ATOM 29368 C CG . LEU A 1 37 ? 3.139 9.538 -3.547 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 19 +ATOM 29369 C CD1 . LEU A 1 37 ? 2.671 10.025 -4.905 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 19 +ATOM 29370 C CD2 . LEU A 1 37 ? 3.876 8.213 -3.688 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 19 +ATOM 29371 H H . LEU A 1 37 ? 2.501 10.385 -0.841 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 19 +ATOM 29372 H HA . LEU A 1 37 ? 4.948 9.282 -1.476 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 19 +ATOM 29373 H HB2 . LEU A 1 37 ? 3.472 11.512 -2.834 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 19 +ATOM 29374 H HB3 . LEU A 1 37 ? 4.888 10.751 -3.513 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 19 +ATOM 29375 H HG . LEU A 1 37 ? 2.265 9.376 -2.934 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 19 +ATOM 29376 H HD11 . LEU A 1 37 ? 2.044 9.273 -5.362 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 19 +ATOM 29377 H HD12 . LEU A 1 37 ? 3.527 10.212 -5.536 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 19 +ATOM 29378 H HD13 . LEU A 1 37 ? 2.105 10.937 -4.786 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 19 +ATOM 29379 H HD21 . LEU A 1 37 ? 4.785 8.366 -4.250 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 19 +ATOM 29380 H HD22 . LEU A 1 37 ? 3.249 7.519 -4.228 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 19 +ATOM 29381 H HD23 . LEU A 1 37 ? 4.110 7.810 -2.714 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 19 +ATOM 29382 N N . GLU A 1 38 ? 5.356 12.329 -0.362 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 19 +ATOM 29383 C CA . GLU A 1 38 ? 6.428 13.271 -0.005 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 19 +ATOM 29384 C C . GLU A 1 38 ? 7.262 12.749 1.164 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 19 +ATOM 29385 O O . GLU A 1 38 ? 8.443 13.107 1.327 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 19 +ATOM 29386 C CB . GLU A 1 38 ? 5.892 14.670 0.300 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 19 +ATOM 29387 C CG . GLU A 1 38 ? 4.910 14.735 1.448 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 19 +ATOM 29388 C CD . GLU A 1 38 ? 4.365 16.112 1.629 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 19 +ATOM 29389 O OE1 . GLU A 1 38 ? 3.343 16.442 0.987 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 19 +ATOM 29390 O OE2 . GLU A 1 38 ? 4.942 16.898 2.420 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 19 +ATOM 29391 H H . GLU A 1 38 ? 4.432 12.481 -0.060 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 19 +ATOM 29392 H HA . GLU A 1 38 ? 7.083 13.326 -0.864 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 19 +ATOM 29393 H HB2 . GLU A 1 38 ? 6.728 15.307 0.551 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 19 +ATOM 29394 H HB3 . GLU A 1 38 ? 5.411 15.071 -0.578 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 19 +ATOM 29395 H HG2 . GLU A 1 38 ? 4.090 14.060 1.248 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 19 +ATOM 29396 H HG3 . GLU A 1 38 ? 5.408 14.433 2.357 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 19 +ATOM 29397 N N . SER A 1 39 ? 6.661 11.897 1.964 1.00 0.00 ? ? ? ? ? ? 36 SER A N 19 +ATOM 29398 C CA . SER A 1 39 ? 7.308 11.317 3.116 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 19 +ATOM 29399 C C . SER A 1 39 ? 6.772 9.908 3.382 1.00 0.00 ? ? ? ? ? ? 36 SER A C 19 +ATOM 29400 O O . SER A 1 39 ? 6.034 9.696 4.327 1.00 0.00 ? ? ? ? ? ? 36 SER A O 19 +ATOM 29401 C CB . SER A 1 39 ? 7.122 12.200 4.359 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 19 +ATOM 29402 O OG . SER A 1 39 ? 7.666 13.508 4.169 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 19 +ATOM 29403 H H . SER A 1 39 ? 5.749 11.597 1.753 1.00 0.00 ? ? ? ? ? ? 36 SER A H 19 +ATOM 29404 H HA . SER A 1 39 ? 8.360 11.230 2.903 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 19 +ATOM 29405 H HB2 . SER A 1 39 ? 6.068 12.292 4.574 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 19 +ATOM 29406 H HB3 . SER A 1 39 ? 7.622 11.732 5.195 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 19 +ATOM 29407 H HG . SER A 1 39 ? 8.499 13.541 4.651 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 19 +ATOM 29408 N N . PRO A 1 40 ? 7.080 8.932 2.508 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 19 +ATOM 29409 C CA . PRO A 1 40 ? 6.605 7.568 2.691 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 19 +ATOM 29410 C C . PRO A 1 40 ? 7.493 6.784 3.644 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 19 +ATOM 29411 O O . PRO A 1 40 ? 7.125 5.736 4.122 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 19 +ATOM 29412 C CB . PRO A 1 40 ? 6.663 6.992 1.280 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 19 +ATOM 29413 C CG . PRO A 1 40 ? 7.806 7.698 0.641 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 19 +ATOM 29414 C CD . PRO A 1 40 ? 7.827 9.086 1.231 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 19 +ATOM 29415 H HA . PRO A 1 40 ? 5.593 7.540 3.061 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 19 +ATOM 29416 H HB2 . PRO A 1 40 ? 6.816 5.925 1.327 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 19 +ATOM 29417 H HB3 . PRO A 1 40 ? 5.737 7.202 0.765 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 19 +ATOM 29418 H HG2 . PRO A 1 40 ? 8.726 7.179 0.868 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 19 +ATOM 29419 H HG3 . PRO A 1 40 ? 7.659 7.748 -0.427 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 19 +ATOM 29420 H HD2 . PRO A 1 40 ? 8.837 9.421 1.409 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 19 +ATOM 29421 H HD3 . PRO A 1 40 ? 7.301 9.768 0.577 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 19 +ATOM 29422 N N . ARG A 1 41 ? 8.642 7.348 3.963 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 19 +ATOM 29423 C CA . ARG A 1 41 ? 9.624 6.706 4.826 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 19 +ATOM 29424 C C . ARG A 1 41 ? 9.350 6.921 6.333 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 19 +ATOM 29425 O O . ARG A 1 41 ? 10.281 7.041 7.145 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 19 +ATOM 29426 C CB . ARG A 1 41 ? 11.071 7.089 4.389 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 19 +ATOM 29427 C CG . ARG A 1 41 ? 11.366 8.587 4.147 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 19 +ATOM 29428 C CD . ARG A 1 41 ? 11.441 9.417 5.424 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 19 +ATOM 29429 N NE . ARG A 1 41 ? 11.849 10.805 5.147 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 19 +ATOM 29430 C CZ . ARG A 1 41 ? 12.569 11.581 5.987 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 19 +ATOM 29431 N NH1 . ARG A 1 41 ? 12.874 11.142 7.214 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 19 +ATOM 29432 N NH2 . ARG A 1 41 ? 12.976 12.791 5.598 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 19 +ATOM 29433 H H . ARG A 1 41 ? 8.813 8.233 3.579 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 19 +ATOM 29434 H HA . ARG A 1 41 ? 9.496 5.647 4.652 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 19 +ATOM 29435 H HB2 . ARG A 1 41 ? 11.753 6.750 5.154 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 19 +ATOM 29436 H HB3 . ARG A 1 41 ? 11.294 6.551 3.479 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 19 +ATOM 29437 H HG2 . ARG A 1 41 ? 12.305 8.675 3.626 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 19 +ATOM 29438 H HG3 . ARG A 1 41 ? 10.582 8.986 3.517 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 19 +ATOM 29439 H HD2 . ARG A 1 41 ? 10.470 9.421 5.897 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 19 +ATOM 29440 H HD3 . ARG A 1 41 ? 12.164 8.966 6.086 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 19 +ATOM 29441 H HE . ARG A 1 41 ? 11.590 11.143 4.258 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 19 +ATOM 29442 H HH11 . ARG A 1 41 ? 12.586 10.246 7.566 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 19 +ATOM 29443 H HH12 . ARG A 1 41 ? 13.437 11.689 7.842 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 19 +ATOM 29444 H HH21 . ARG A 1 41 ? 12.775 13.166 4.688 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 19 +ATOM 29445 H HH22 . ARG A 1 41 ? 13.514 13.387 6.205 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 19 +ATOM 29446 N N . ILE A 1 42 ? 8.082 6.874 6.695 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 19 +ATOM 29447 C CA . ILE A 1 42 ? 7.634 7.047 8.074 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 19 +ATOM 29448 C C . ILE A 1 42 ? 7.767 5.704 8.806 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 19 +ATOM 29449 O O . ILE A 1 42 ? 6.979 4.778 8.571 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 19 +ATOM 29450 C CB . ILE A 1 42 ? 6.147 7.530 8.111 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 19 +ATOM 29451 C CG1 . ILE A 1 42 ? 6.012 8.874 7.379 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 19 +ATOM 29452 C CG2 . ILE A 1 42 ? 5.632 7.647 9.545 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 19 +ATOM 29453 C CD1 . ILE A 1 42 ? 4.593 9.403 7.288 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 19 +ATOM 29454 H H . ILE A 1 42 ? 7.420 6.677 5.997 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 19 +ATOM 29455 H HA . ILE A 1 42 ? 8.265 7.783 8.551 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 19 +ATOM 29456 H HB . ILE A 1 42 ? 5.544 6.797 7.597 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 19 +ATOM 29457 H HG12 . ILE A 1 42 ? 6.601 9.617 7.896 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 19 +ATOM 29458 H HG13 . ILE A 1 42 ? 6.391 8.763 6.374 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 19 +ATOM 29459 H HG21 . ILE A 1 42 ? 6.215 8.386 10.075 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 19 +ATOM 29460 H HG22 . ILE A 1 42 ? 5.729 6.691 10.040 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 19 +ATOM 29461 H HG23 . ILE A 1 42 ? 4.594 7.946 9.533 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 19 +ATOM 29462 H HD11 . ILE A 1 42 ? 4.606 10.336 6.744 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 19 +ATOM 29463 H HD12 . ILE A 1 42 ? 4.203 9.565 8.283 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 19 +ATOM 29464 H HD13 . ILE A 1 42 ? 3.975 8.690 6.764 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 19 +ATOM 29465 N N . GLU A 1 43 ? 8.749 5.609 9.698 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 19 +ATOM 29466 C CA . GLU A 1 43 ? 9.085 4.350 10.369 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 19 +ATOM 29467 C C . GLU A 1 43 ? 7.949 3.800 11.228 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 19 +ATOM 29468 O O . GLU A 1 43 ? 7.866 2.591 11.445 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 19 +ATOM 29469 C CB . GLU A 1 43 ? 10.380 4.460 11.186 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 19 +ATOM 29470 C CG . GLU A 1 43 ? 10.357 5.526 12.261 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 19 +ATOM 29471 C CD . GLU A 1 43 ? 11.590 5.513 13.108 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 19 +ATOM 29472 O OE1 . GLU A 1 43 ? 12.632 6.029 12.668 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 19 +ATOM 29473 O OE2 . GLU A 1 43 ? 11.543 4.993 14.241 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 19 +ATOM 29474 H H . GLU A 1 43 ? 9.249 6.420 9.932 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 19 +ATOM 29475 H HA . GLU A 1 43 ? 9.253 3.634 9.578 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 19 +ATOM 29476 H HB2 . GLU A 1 43 ? 10.570 3.511 11.664 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 19 +ATOM 29477 H HB3 . GLU A 1 43 ? 11.196 4.677 10.512 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 19 +ATOM 29478 H HG2 . GLU A 1 43 ? 10.283 6.492 11.786 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 19 +ATOM 29479 H HG3 . GLU A 1 43 ? 9.496 5.365 12.894 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 19 +ATOM 29480 N N . ALA A 1 44 ? 7.062 4.666 11.671 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 19 +ATOM 29481 C CA . ALA A 1 44 ? 5.930 4.264 12.504 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 19 +ATOM 29482 C C . ALA A 1 44 ? 4.967 3.344 11.745 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 19 +ATOM 29483 O O . ALA A 1 44 ? 4.249 2.538 12.350 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 19 +ATOM 29484 C CB . ALA A 1 44 ? 5.190 5.491 13.016 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 19 +ATOM 29485 H H . ALA A 1 44 ? 7.191 5.618 11.458 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 19 +ATOM 29486 H HA . ALA A 1 44 ? 6.323 3.727 13.355 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 19 +ATOM 29487 H HB1 . ALA A 1 44 ? 5.879 6.135 13.541 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 19 +ATOM 29488 H HB2 . ALA A 1 44 ? 4.401 5.185 13.687 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 19 +ATOM 29489 H HB3 . ALA A 1 44 ? 4.763 6.028 12.181 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 19 +ATOM 29490 N N . ASN A 1 45 ? 4.987 3.432 10.425 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 19 +ATOM 29491 C CA . ASN A 1 45 ? 4.091 2.633 9.599 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 19 +ATOM 29492 C C . ASN A 1 45 ? 4.779 1.387 9.075 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 19 +ATOM 29493 O O . ASN A 1 45 ? 4.161 0.592 8.369 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 19 +ATOM 29494 C CB . ASN A 1 45 ? 3.524 3.450 8.420 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 19 +ATOM 29495 C CG . ASN A 1 45 ? 2.621 4.596 8.847 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 19 +ATOM 29496 O OD1 . ASN A 1 45 ? 1.955 4.539 9.880 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 19 +ATOM 29497 N ND2 . ASN A 1 45 ? 2.586 5.645 8.053 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 19 +ATOM 29498 H H . ASN A 1 45 ? 5.621 4.045 9.994 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 19 +ATOM 29499 H HA . ASN A 1 45 ? 3.267 2.319 10.221 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 19 +ATOM 29500 H HB2 . ASN A 1 45 ? 4.345 3.866 7.857 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 19 +ATOM 29501 H HB3 . ASN A 1 45 ? 2.958 2.789 7.779 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 19 +ATOM 29502 H HD21 . ASN A 1 45 ? 3.133 5.630 7.240 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 19 +ATOM 29503 H HD22 . ASN A 1 45 ? 2.009 6.392 8.310 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 19 +ATOM 29504 N N . LYS A 1 46 ? 6.053 1.211 9.422 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 19 +ATOM 29505 C CA . LYS A 1 46 ? 6.817 0.052 8.961 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 19 +ATOM 29506 C C . LYS A 1 46 ? 6.402 -1.201 9.682 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 19 +ATOM 29507 O O . LYS A 1 46 ? 6.170 -1.194 10.894 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 19 +ATOM 29508 C CB . LYS A 1 46 ? 8.340 0.251 9.101 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 19 +ATOM 29509 C CG . LYS A 1 46 ? 8.897 1.302 8.170 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 19 +ATOM 29510 C CD . LYS A 1 46 ? 10.405 1.582 8.327 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 19 +ATOM 29511 C CE . LYS A 1 46 ? 11.316 0.463 7.797 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 19 +ATOM 29512 N NZ . LYS A 1 46 ? 11.393 -0.729 8.669 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 19 +ATOM 29513 H H . LYS A 1 46 ? 6.474 1.857 10.027 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 19 +ATOM 29514 H HA . LYS A 1 46 ? 6.587 -0.078 7.914 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 19 +ATOM 29515 H HB2 . LYS A 1 46 ? 8.566 0.538 10.117 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 19 +ATOM 29516 H HB3 . LYS A 1 46 ? 8.818 -0.692 8.882 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 19 +ATOM 29517 H HG2 . LYS A 1 46 ? 8.742 0.953 7.159 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 19 +ATOM 29518 H HG3 . LYS A 1 46 ? 8.344 2.218 8.312 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 19 +ATOM 29519 H HD2 . LYS A 1 46 ? 10.644 2.489 7.792 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 19 +ATOM 29520 H HD3 . LYS A 1 46 ? 10.611 1.736 9.376 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 19 +ATOM 29521 H HE2 . LYS A 1 46 ? 10.952 0.150 6.830 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 19 +ATOM 29522 H HE3 . LYS A 1 46 ? 12.308 0.871 7.677 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 19 +ATOM 29523 H HZ1 . LYS A 1 46 ? 11.984 -1.455 8.214 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 19 +ATOM 29524 H HZ2 . LYS A 1 46 ? 10.472 -1.153 8.887 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 19 +ATOM 29525 H HZ3 . LYS A 1 46 ? 11.853 -0.482 9.571 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 19 +ATOM 29526 N N . LEU A 1 47 ? 6.302 -2.261 8.939 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 19 +ATOM 29527 C CA . LEU A 1 47 ? 5.954 -3.548 9.484 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 19 +ATOM 29528 C C . LEU A 1 47 ? 7.210 -4.196 10.062 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 19 +ATOM 29529 O O . LEU A 1 47 ? 8.286 -4.078 9.487 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 19 +ATOM 29530 C CB . LEU A 1 47 ? 5.340 -4.415 8.397 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 19 +ATOM 29531 C CG . LEU A 1 47 ? 4.138 -3.808 7.673 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 19 +ATOM 29532 C CD1 . LEU A 1 47 ? 3.609 -4.753 6.620 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 19 +ATOM 29533 C CD2 . LEU A 1 47 ? 3.049 -3.433 8.654 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 19 +ATOM 29534 H H . LEU A 1 47 ? 6.462 -2.158 7.975 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 19 +ATOM 29535 H HA . LEU A 1 47 ? 5.231 -3.391 10.270 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 19 +ATOM 29536 H HB2 . LEU A 1 47 ? 6.106 -4.602 7.663 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 19 +ATOM 29537 H HB3 . LEU A 1 47 ? 5.033 -5.354 8.833 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 19 +ATOM 29538 H HG . LEU A 1 47 ? 4.460 -2.911 7.166 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 19 +ATOM 29539 H HD11 . LEU A 1 47 ? 3.337 -5.691 7.084 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 19 +ATOM 29540 H HD12 . LEU A 1 47 ? 4.363 -4.922 5.866 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 19 +ATOM 29541 H HD13 . LEU A 1 47 ? 2.734 -4.318 6.163 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 19 +ATOM 29542 H HD21 . LEU A 1 47 ? 2.739 -4.310 9.203 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 19 +ATOM 29543 H HD22 . LEU A 1 47 ? 2.208 -3.035 8.107 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 19 +ATOM 29544 H HD23 . LEU A 1 47 ? 3.416 -2.684 9.338 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 19 +ATOM 29545 N N . ARG A 1 48 ? 7.069 -4.873 11.174 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 19 +ATOM 29546 C CA . ARG A 1 48 ? 8.191 -5.430 11.919 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 19 +ATOM 29547 C C . ARG A 1 48 ? 8.893 -6.583 11.199 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 19 +ATOM 29548 O O . ARG A 1 48 ? 10.127 -6.650 11.175 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 19 +ATOM 29549 C CB . ARG A 1 48 ? 7.721 -5.877 13.294 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 19 +ATOM 29550 C CG . ARG A 1 48 ? 7.219 -4.745 14.167 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 19 +ATOM 29551 C CD . ARG A 1 48 ? 6.724 -5.252 15.507 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 19 +ATOM 29552 N NE . ARG A 1 48 ? 6.256 -4.154 16.354 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 19 +ATOM 29553 C CZ . ARG A 1 48 ? 5.462 -4.278 17.419 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 19 +ATOM 29554 N NH1 . ARG A 1 48 ? 5.022 -5.479 17.804 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 19 +ATOM 29555 N NH2 . ARG A 1 48 ? 5.115 -3.193 18.100 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 19 +ATOM 29556 H H . ARG A 1 48 ? 6.165 -5.020 11.532 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 19 +ATOM 29557 H HA . ARG A 1 48 ? 8.905 -4.634 12.063 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 19 +ATOM 29558 H HB2 . ARG A 1 48 ? 6.922 -6.595 13.172 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 19 +ATOM 29559 H HB3 . ARG A 1 48 ? 8.547 -6.356 13.793 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 19 +ATOM 29560 H HG2 . ARG A 1 48 ? 8.025 -4.045 14.334 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 19 +ATOM 29561 H HG3 . ARG A 1 48 ? 6.408 -4.245 13.659 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 19 +ATOM 29562 H HD2 . ARG A 1 48 ? 5.909 -5.943 15.344 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 19 +ATOM 29563 H HD3 . ARG A 1 48 ? 7.534 -5.760 16.009 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 19 +ATOM 29564 H HE . ARG A 1 48 ? 6.574 -3.259 16.091 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 19 +ATOM 29565 H HH11 . ARG A 1 48 ? 5.260 -6.331 17.330 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 19 +ATOM 29566 H HH12 . ARG A 1 48 ? 4.412 -5.592 18.593 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 19 +ATOM 29567 H HH21 . ARG A 1 48 ? 5.453 -2.294 17.804 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 19 +ATOM 29568 H HH22 . ARG A 1 48 ? 4.530 -3.220 18.914 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 19 +ATOM 29569 N N . GLY A 1 49 ? 8.124 -7.471 10.610 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 19 +ATOM 29570 C CA . GLY A 1 49 ? 8.704 -8.632 9.949 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 19 +ATOM 29571 C C . GLY A 1 49 ? 8.858 -8.431 8.466 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 19 +ATOM 29572 O O . GLY A 1 49 ? 8.993 -9.395 7.698 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 19 +ATOM 29573 H H . GLY A 1 49 ? 7.149 -7.357 10.614 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 19 +ATOM 29574 H HA2 . GLY A 1 49 ? 9.680 -8.822 10.369 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 19 +ATOM 29575 H HA3 . GLY A 1 49 ? 8.076 -9.493 10.119 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 19 +ATOM 29576 N N . MET A 1 50 ? 8.826 -7.197 8.055 1.00 0.00 ? ? ? ? ? ? 47 MET A N 19 +ATOM 29577 C CA . MET A 1 50 ? 8.947 -6.845 6.667 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 19 +ATOM 29578 C C . MET A 1 50 ? 10.002 -5.755 6.597 1.00 0.00 ? ? ? ? ? ? 47 MET A C 19 +ATOM 29579 O O . MET A 1 50 ? 10.129 -4.975 7.539 1.00 0.00 ? ? ? ? ? ? 47 MET A O 19 +ATOM 29580 C CB . MET A 1 50 ? 7.604 -6.331 6.129 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 19 +ATOM 29581 C CG . MET A 1 50 ? 6.413 -7.275 6.365 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 19 +ATOM 29582 S SD . MET A 1 50 ? 6.466 -8.810 5.405 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 19 +ATOM 29583 C CE . MET A 1 50 ? 6.042 -8.217 3.773 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 19 +ATOM 29584 H H . MET A 1 50 ? 8.755 -6.472 8.713 1.00 0.00 ? ? ? ? ? ? 47 MET A H 19 +ATOM 29585 H HA . MET A 1 50 ? 9.270 -7.714 6.112 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 19 +ATOM 29586 H HB2 . MET A 1 50 ? 7.407 -5.374 6.585 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 19 +ATOM 29587 H HB3 . MET A 1 50 ? 7.706 -6.174 5.065 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 19 +ATOM 29588 H HG2 . MET A 1 50 ? 6.395 -7.538 7.412 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 19 +ATOM 29589 H HG3 . MET A 1 50 ? 5.501 -6.746 6.126 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 19 +ATOM 29590 H HE1 . MET A 1 50 ? 5.048 -7.796 3.817 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 19 +ATOM 29591 H HE2 . MET A 1 50 ? 6.049 -9.046 3.079 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 19 +ATOM 29592 H HE3 . MET A 1 50 ? 6.746 -7.460 3.459 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 19 +ATOM 29593 N N . PRO A 1 51 ? 10.802 -5.706 5.541 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 19 +ATOM 29594 C CA . PRO A 1 51 ? 11.891 -4.731 5.438 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 19 +ATOM 29595 C C . PRO A 1 51 ? 11.431 -3.259 5.292 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 19 +ATOM 29596 O O . PRO A 1 51 ? 11.451 -2.479 6.259 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 19 +ATOM 29597 C CB . PRO A 1 51 ? 12.679 -5.191 4.202 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 19 +ATOM 29598 C CG . PRO A 1 51 ? 11.723 -6.016 3.402 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 19 +ATOM 29599 C CD . PRO A 1 51 ? 10.759 -6.625 4.380 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 19 +ATOM 29600 H HA . PRO A 1 51 ? 12.531 -4.792 6.304 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 19 +ATOM 29601 H HB2 . PRO A 1 51 ? 13.011 -4.325 3.647 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 19 +ATOM 29602 H HB3 . PRO A 1 51 ? 13.534 -5.771 4.514 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 19 +ATOM 29603 H HG2 . PRO A 1 51 ? 11.195 -5.389 2.698 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 19 +ATOM 29604 H HG3 . PRO A 1 51 ? 12.261 -6.790 2.874 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 19 +ATOM 29605 H HD2 . PRO A 1 51 ? 9.765 -6.663 3.958 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 19 +ATOM 29606 H HD3 . PRO A 1 51 ? 11.088 -7.613 4.664 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 19 +ATOM 29607 N N . ASP A 1 52 ? 10.951 -2.922 4.116 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 19 +ATOM 29608 C CA . ASP A 1 52 ? 10.613 -1.548 3.761 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 19 +ATOM 29609 C C . ASP A 1 52 ? 9.137 -1.474 3.458 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 19 +ATOM 29610 O O . ASP A 1 52 ? 8.701 -0.759 2.562 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 19 +ATOM 29611 C CB . ASP A 1 52 ? 11.393 -1.167 2.504 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 19 +ATOM 29612 C CG . ASP A 1 52 ? 11.909 0.253 2.537 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 19 +ATOM 29613 O OD1 . ASP A 1 52 ? 11.134 1.200 2.462 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 19 +ATOM 29614 O OD2 . ASP A 1 52 ? 13.154 0.430 2.660 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 19 +ATOM 29615 H H . ASP A 1 52 ? 10.814 -3.626 3.454 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 19 +ATOM 29616 H HA . ASP A 1 52 ? 10.867 -0.863 4.557 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 19 +ATOM 29617 H HB2 . ASP A 1 52 ? 12.231 -1.838 2.390 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 19 +ATOM 29618 H HB3 . ASP A 1 52 ? 10.743 -1.273 1.648 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 19 +ATOM 29619 N N . CYS A 1 53 ? 8.361 -2.223 4.196 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 19 +ATOM 29620 C CA . CYS A 1 53 ? 6.942 -2.238 3.968 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 19 +ATOM 29621 C C . CYS A 1 53 ? 6.257 -1.353 4.987 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 19 +ATOM 29622 O O . CYS A 1 53 ? 6.636 -1.345 6.170 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 19 +ATOM 29623 C CB . CYS A 1 53 ? 6.425 -3.663 4.062 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 19 +ATOM 29624 S SG . CYS A 1 53 ? 7.326 -4.827 3.009 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 19 +ATOM 29625 H H . CYS A 1 53 ? 8.746 -2.752 4.923 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 19 +ATOM 29626 H HA . CYS A 1 53 ? 6.752 -1.858 2.975 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 19 +ATOM 29627 H HB2 . CYS A 1 53 ? 6.509 -4.003 5.083 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 19 +ATOM 29628 H HB3 . CYS A 1 53 ? 5.386 -3.684 3.764 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 19 +ATOM 29629 H HG . CYS A 1 53 ? 7.451 -4.256 1.819 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 19 +ATOM 29630 N N . TYR A 1 54 ? 5.254 -0.647 4.539 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 19 +ATOM 29631 C CA . TYR A 1 54 ? 4.514 0.295 5.342 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 19 +ATOM 29632 C C . TYR A 1 54 ? 3.049 0.044 5.119 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 19 +ATOM 29633 O O . TYR A 1 54 ? 2.663 -0.514 4.078 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 19 +ATOM 29634 C CB . TYR A 1 54 ? 4.803 1.745 4.903 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 19 +ATOM 29635 C CG . TYR A 1 54 ? 6.250 2.182 4.926 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 19 +ATOM 29636 C CD1 . TYR A 1 54 ? 7.144 1.752 3.959 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 19 +ATOM 29637 C CD2 . TYR A 1 54 ? 6.714 3.038 5.900 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 19 +ATOM 29638 C CE1 . TYR A 1 54 ? 8.456 2.158 3.972 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 19 +ATOM 29639 C CE2 . TYR A 1 54 ? 8.029 3.454 5.910 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 19 +ATOM 29640 C CZ . TYR A 1 54 ? 8.891 3.007 4.944 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 19 +ATOM 29641 O OH . TYR A 1 54 ? 10.198 3.419 4.948 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 19 +ATOM 29642 H H . TYR A 1 54 ? 4.965 -0.756 3.605 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 19 +ATOM 29643 H HA . TYR A 1 54 ? 4.771 0.177 6.383 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 19 +ATOM 29644 H HB2 . TYR A 1 54 ? 4.442 1.886 3.894 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 19 +ATOM 29645 H HB3 . TYR A 1 54 ? 4.250 2.402 5.559 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 19 +ATOM 29646 H HD1 . TYR A 1 54 ? 6.798 1.078 3.189 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 19 +ATOM 29647 H HD2 . TYR A 1 54 ? 6.034 3.384 6.662 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 19 +ATOM 29648 H HE1 . TYR A 1 54 ? 9.137 1.807 3.211 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 19 +ATOM 29649 H HE2 . TYR A 1 54 ? 8.376 4.125 6.683 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 19 +ATOM 29650 H HH . TYR A 1 54 ? 10.394 3.557 4.010 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 19 +ATOM 29651 N N . LYS A 1 55 ? 2.242 0.441 6.054 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 19 +ATOM 29652 C CA . LYS A 1 55 ? 0.819 0.308 5.914 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 19 +ATOM 29653 C C . LYS A 1 55 ? 0.117 1.624 6.206 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 19 +ATOM 29654 O O . LYS A 1 55 ? 0.528 2.386 7.078 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 19 +ATOM 29655 C CB . LYS A 1 55 ? 0.270 -0.797 6.827 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 19 +ATOM 29656 C CG . LYS A 1 55 ? 0.553 -0.585 8.302 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 19 +ATOM 29657 C CD . LYS A 1 55 ? -0.108 -1.644 9.150 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 19 +ATOM 29658 C CE . LYS A 1 55 ? 0.258 -1.471 10.605 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 19 +ATOM 29659 N NZ . LYS A 1 55 ? -0.384 -2.484 11.457 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 19 +ATOM 29660 H H . LYS A 1 55 ? 2.607 0.836 6.877 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 19 +ATOM 29661 H HA . LYS A 1 55 ? 0.616 0.037 4.889 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 19 +ATOM 29662 H HB2 . LYS A 1 55 ? -0.801 -0.858 6.695 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 19 +ATOM 29663 H HB3 . LYS A 1 55 ? 0.714 -1.736 6.529 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 19 +ATOM 29664 H HG2 . LYS A 1 55 ? 1.620 -0.623 8.463 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 19 +ATOM 29665 H HG3 . LYS A 1 55 ? 0.179 0.386 8.593 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 19 +ATOM 29666 H HD2 . LYS A 1 55 ? -1.179 -1.550 9.047 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 19 +ATOM 29667 H HD3 . LYS A 1 55 ? 0.206 -2.623 8.819 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 19 +ATOM 29668 H HE2 . LYS A 1 55 ? 1.330 -1.563 10.703 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 19 +ATOM 29669 H HE3 . LYS A 1 55 ? -0.050 -0.485 10.919 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 19 +ATOM 29670 H HZ1 . LYS A 1 55 ? -0.076 -2.378 12.445 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 19 +ATOM 29671 H HZ2 . LYS A 1 55 ? -0.140 -3.449 11.149 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 19 +ATOM 29672 H HZ3 . LYS A 1 55 ? -1.419 -2.401 11.441 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 19 +ATOM 29673 N N . ILE A 1 56 ? -0.912 1.890 5.460 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 19 +ATOM 29674 C CA . ILE A 1 56 ? -1.753 3.033 5.674 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 19 +ATOM 29675 C C . ILE A 1 56 ? -3.073 2.520 6.207 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 19 +ATOM 29676 O O . ILE A 1 56 ? -3.517 1.436 5.822 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 19 +ATOM 29677 C CB . ILE A 1 56 ? -1.982 3.865 4.360 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 19 +ATOM 29678 C CG1 . ILE A 1 56 ? -0.660 4.468 3.868 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 19 +ATOM 29679 C CG2 . ILE A 1 56 ? -3.029 4.972 4.562 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 19 +ATOM 29680 C CD1 . ILE A 1 56 ? -0.795 5.314 2.614 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 19 +ATOM 29681 H H . ILE A 1 56 ? -1.119 1.271 4.723 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 19 +ATOM 29682 H HA . ILE A 1 56 ? -1.290 3.657 6.425 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 19 +ATOM 29683 H HB . ILE A 1 56 ? -2.358 3.191 3.605 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 19 +ATOM 29684 H HG12 . ILE A 1 56 ? -0.251 5.097 4.645 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 19 +ATOM 29685 H HG13 . ILE A 1 56 ? 0.035 3.668 3.660 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 19 +ATOM 29686 H HG21 . ILE A 1 56 ? -3.168 5.506 3.635 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 19 +ATOM 29687 H HG22 . ILE A 1 56 ? -2.686 5.657 5.323 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 19 +ATOM 29688 H HG23 . ILE A 1 56 ? -3.966 4.532 4.873 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 19 +ATOM 29689 H HD11 . ILE A 1 56 ? 0.165 5.732 2.350 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 19 +ATOM 29690 H HD12 . ILE A 1 56 ? -1.498 6.115 2.796 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 19 +ATOM 29691 H HD13 . ILE A 1 56 ? -1.158 4.699 1.804 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 19 +ATOM 29692 N N . LYS A 1 57 ? -3.668 3.266 7.089 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 19 +ATOM 29693 C CA . LYS A 1 57 ? -4.907 2.897 7.699 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 19 +ATOM 29694 C C . LYS A 1 57 ? -5.929 3.960 7.381 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 19 +ATOM 29695 O O . LYS A 1 57 ? -5.671 5.160 7.568 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 19 +ATOM 29696 C CB . LYS A 1 57 ? -4.784 2.648 9.242 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 19 +ATOM 29697 C CG . LYS A 1 57 ? -4.294 3.832 10.094 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 19 +ATOM 29698 C CD . LYS A 1 57 ? -2.803 4.111 9.921 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 19 +ATOM 29699 C CE . LYS A 1 57 ? -2.405 5.440 10.534 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 19 +ATOM 29700 N NZ . LYS A 1 57 ? -2.463 5.440 12.009 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 19 +ATOM 29701 H H . LYS A 1 57 ? -3.296 4.146 7.292 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 19 +ATOM 29702 H HA . LYS A 1 57 ? -5.209 1.985 7.215 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 19 +ATOM 29703 H HB2 . LYS A 1 57 ? -5.754 2.360 9.619 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 19 +ATOM 29704 H HB3 . LYS A 1 57 ? -4.105 1.821 9.390 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 19 +ATOM 29705 H HG2 . LYS A 1 57 ? -4.846 4.716 9.811 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 19 +ATOM 29706 H HG3 . LYS A 1 57 ? -4.489 3.601 11.131 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 19 +ATOM 29707 H HD2 . LYS A 1 57 ? -2.261 3.332 10.433 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 19 +ATOM 29708 H HD3 . LYS A 1 57 ? -2.519 4.101 8.882 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 19 +ATOM 29709 H HE2 . LYS A 1 57 ? -1.409 5.684 10.196 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 19 +ATOM 29710 H HE3 . LYS A 1 57 ? -3.110 6.155 10.137 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 19 +ATOM 29711 H HZ1 . LYS A 1 57 ? -2.164 6.365 12.383 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 19 +ATOM 29712 H HZ2 . LYS A 1 57 ? -1.811 4.718 12.377 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 19 +ATOM 29713 H HZ3 . LYS A 1 57 ? -3.416 5.227 12.368 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 19 +ATOM 29714 N N . LEU A 1 58 ? -7.039 3.558 6.844 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 19 +ATOM 29715 C CA . LEU A 1 58 ? -8.058 4.486 6.466 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 19 +ATOM 29716 C C . LEU A 1 58 ? -9.109 4.509 7.559 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 19 +ATOM 29717 O O . LEU A 1 58 ? -10.066 3.690 7.555 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 19 +ATOM 29718 C CB . LEU A 1 58 ? -8.676 4.081 5.107 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 19 +ATOM 29719 C CG . LEU A 1 58 ? -9.359 5.181 4.250 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 19 +ATOM 29720 C CD1 . LEU A 1 58 ? -9.915 4.574 2.990 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 19 +ATOM 29721 C CD2 . LEU A 1 58 ? -10.463 5.905 4.988 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 19 +ATOM 29722 H H . LEU A 1 58 ? -7.198 2.597 6.695 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 19 +ATOM 29723 H HA . LEU A 1 58 ? -7.612 5.466 6.378 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 19 +ATOM 29724 H HB2 . LEU A 1 58 ? -7.891 3.643 4.509 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 19 +ATOM 29725 H HB3 . LEU A 1 58 ? -9.408 3.311 5.304 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 19 +ATOM 29726 H HG . LEU A 1 58 ? -8.606 5.899 3.956 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 19 +ATOM 29727 H HD11 . LEU A 1 58 ? -10.355 5.343 2.371 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 19 +ATOM 29728 H HD12 . LEU A 1 58 ? -10.668 3.846 3.254 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 19 +ATOM 29729 H HD13 . LEU A 1 58 ? -9.115 4.087 2.456 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 19 +ATOM 29730 H HD21 . LEU A 1 58 ? -10.900 6.655 4.346 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 19 +ATOM 29731 H HD22 . LEU A 1 58 ? -10.060 6.370 5.877 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 19 +ATOM 29732 H HD23 . LEU A 1 58 ? -11.217 5.184 5.269 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 19 +ATOM 29733 N N . ARG A 1 59 ? -8.918 5.396 8.516 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 19 +ATOM 29734 C CA . ARG A 1 59 ? -9.849 5.529 9.594 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 19 +ATOM 29735 C C . ARG A 1 59 ? -11.087 6.254 9.116 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 19 +ATOM 29736 O O . ARG A 1 59 ? -11.119 7.488 9.042 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 19 +ATOM 29737 C CB . ARG A 1 59 ? -9.237 6.193 10.830 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 19 +ATOM 29738 C CG . ARG A 1 59 ? -10.228 6.355 11.976 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 19 +ATOM 29739 C CD . ARG A 1 59 ? -9.571 6.913 13.211 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 19 +ATOM 29740 N NE . ARG A 1 59 ? -10.553 7.216 14.263 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 19 +ATOM 29741 C CZ . ARG A 1 59 ? -10.251 7.419 15.554 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 19 +ATOM 29742 N NH1 . ARG A 1 59 ? -9.052 7.085 16.019 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 19 +ATOM 29743 N NH2 . ARG A 1 59 ? -11.175 7.893 16.393 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 19 +ATOM 29744 H H . ARG A 1 59 ? -8.129 5.977 8.482 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 19 +ATOM 29745 H HA . ARG A 1 59 ? -10.134 4.520 9.842 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 19 +ATOM 29746 H HB2 . ARG A 1 59 ? -8.407 5.592 11.175 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 19 +ATOM 29747 H HB3 . ARG A 1 59 ? -8.873 7.172 10.554 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 19 +ATOM 29748 H HG2 . ARG A 1 59 ? -11.014 7.027 11.666 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 19 +ATOM 29749 H HG3 . ARG A 1 59 ? -10.655 5.389 12.206 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 19 +ATOM 29750 H HD2 . ARG A 1 59 ? -8.868 6.184 13.584 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 19 +ATOM 29751 H HD3 . ARG A 1 59 ? -9.046 7.817 12.948 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 19 +ATOM 29752 H HE . ARG A 1 59 ? -11.474 7.329 13.931 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 19 +ATOM 29753 H HH11 . ARG A 1 59 ? -8.351 6.677 15.427 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 19 +ATOM 29754 H HH12 . ARG A 1 59 ? -8.793 7.217 16.978 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 19 +ATOM 29755 H HH21 . ARG A 1 59 ? -12.111 8.114 16.103 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 19 +ATOM 29756 H HH22 . ARG A 1 59 ? -10.985 8.071 17.361 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 19 +ATOM 29757 N N . SER A 1 60 ? -12.059 5.458 8.745 1.00 0.00 ? ? ? ? ? ? 57 SER A N 19 +ATOM 29758 C CA . SER A 1 60 ? -13.329 5.872 8.197 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 19 +ATOM 29759 C C . SER A 1 60 ? -14.047 4.618 7.722 1.00 0.00 ? ? ? ? ? ? 57 SER A C 19 +ATOM 29760 O O . SER A 1 60 ? -15.254 4.464 7.902 1.00 0.00 ? ? ? ? ? ? 57 SER A O 19 +ATOM 29761 C CB . SER A 1 60 ? -13.134 6.858 7.013 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 19 +ATOM 29762 O OG . SER A 1 60 ? -14.352 7.212 6.389 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 19 +ATOM 29763 H H . SER A 1 60 ? -11.910 4.495 8.871 1.00 0.00 ? ? ? ? ? ? 57 SER A H 19 +ATOM 29764 H HA . SER A 1 60 ? -13.904 6.342 8.982 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 19 +ATOM 29765 H HB2 . SER A 1 60 ? -12.670 7.762 7.379 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 19 +ATOM 29766 H HB3 . SER A 1 60 ? -12.483 6.404 6.282 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 19 +ATOM 29767 H HG . SER A 1 60 ? -14.851 7.782 6.988 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 19 +ATOM 29768 N N . SER A 1 61 ? -13.299 3.712 7.134 1.00 0.00 ? ? ? ? ? ? 58 SER A N 19 +ATOM 29769 C CA . SER A 1 61 ? -13.875 2.494 6.633 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 19 +ATOM 29770 C C . SER A 1 61 ? -13.186 1.236 7.190 1.00 0.00 ? ? ? ? ? ? 58 SER A C 19 +ATOM 29771 O O . SER A 1 61 ? -13.735 0.135 7.114 1.00 0.00 ? ? ? ? ? ? 58 SER A O 19 +ATOM 29772 C CB . SER A 1 61 ? -13.886 2.540 5.113 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 19 +ATOM 29773 O OG . SER A 1 61 ? -12.648 3.044 4.626 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 19 +ATOM 29774 H H . SER A 1 61 ? -12.342 3.869 6.984 1.00 0.00 ? ? ? ? ? ? 58 SER A H 19 +ATOM 29775 H HA . SER A 1 61 ? -14.900 2.478 6.974 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 19 +ATOM 29776 H HB2 . SER A 1 61 ? -14.052 1.549 4.718 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 19 +ATOM 29777 H HB3 . SER A 1 61 ? -14.680 3.193 4.781 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 19 +ATOM 29778 H HG . SER A 1 61 ? -12.862 3.883 4.197 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 19 +ATOM 29779 N N . GLY A 1 62 ? -11.986 1.395 7.744 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 19 +ATOM 29780 C CA . GLY A 1 62 ? -11.314 0.266 8.364 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 19 +ATOM 29781 C C . GLY A 1 62 ? -10.399 -0.470 7.420 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 19 +ATOM 29782 O O . GLY A 1 62 ? -9.888 -1.555 7.740 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 19 +ATOM 29783 H H . GLY A 1 62 ? -11.540 2.269 7.746 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 19 +ATOM 29784 H HA2 . GLY A 1 62 ? -10.733 0.620 9.201 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 19 +ATOM 29785 H HA3 . GLY A 1 62 ? -12.064 -0.421 8.730 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 19 +ATOM 29786 N N . TYR A 1 63 ? -10.179 0.097 6.276 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 19 +ATOM 29787 C CA . TYR A 1 63 ? -9.324 -0.516 5.298 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 19 +ATOM 29788 C C . TYR A 1 63 ? -7.873 -0.128 5.528 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 19 +ATOM 29789 O O . TYR A 1 63 ? -7.576 0.951 6.048 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 19 +ATOM 29790 C CB . TYR A 1 63 ? -9.759 -0.154 3.877 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 19 +ATOM 29791 C CG . TYR A 1 63 ? -11.046 -0.820 3.432 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 19 +ATOM 29792 C CD1 . TYR A 1 63 ? -12.281 -0.380 3.881 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 19 +ATOM 29793 C CD2 . TYR A 1 63 ? -11.017 -1.885 2.551 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 19 +ATOM 29794 C CE1 . TYR A 1 63 ? -13.450 -0.983 3.466 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 19 +ATOM 29795 C CE2 . TYR A 1 63 ? -12.178 -2.494 2.130 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 19 +ATOM 29796 C CZ . TYR A 1 63 ? -13.390 -2.041 2.590 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 19 +ATOM 29797 O OH . TYR A 1 63 ? -14.544 -2.653 2.176 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 19 +ATOM 29798 H H . TYR A 1 63 ? -10.588 0.966 6.085 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 19 +ATOM 29799 H HA . TYR A 1 63 ? -9.443 -1.584 5.430 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 19 +ATOM 29800 H HB2 . TYR A 1 63 ? -9.905 0.915 3.816 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 19 +ATOM 29801 H HB3 . TYR A 1 63 ? -8.977 -0.440 3.188 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 19 +ATOM 29802 H HD1 . TYR A 1 63 ? -12.313 0.452 4.570 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 19 +ATOM 29803 H HD2 . TYR A 1 63 ? -10.063 -2.239 2.192 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 19 +ATOM 29804 H HE1 . TYR A 1 63 ? -14.402 -0.625 3.828 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 19 +ATOM 29805 H HE2 . TYR A 1 63 ? -12.132 -3.324 1.440 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 19 +ATOM 29806 H HH . TYR A 1 63 ? -15.206 -1.986 1.956 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 19 +ATOM 29807 N N . ARG A 1 64 ? -6.994 -1.022 5.184 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 19 +ATOM 29808 C CA . ARG A 1 64 ? -5.574 -0.823 5.279 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 19 +ATOM 29809 C C . ARG A 1 64 ? -4.954 -1.085 3.924 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 19 +ATOM 29810 O O . ARG A 1 64 ? -5.496 -1.855 3.121 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 19 +ATOM 29811 C CB . ARG A 1 64 ? -4.903 -1.741 6.327 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 19 +ATOM 29812 C CG . ARG A 1 64 ? -5.021 -1.326 7.806 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 19 +ATOM 29813 C CD . ARG A 1 64 ? -6.433 -1.409 8.372 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 19 +ATOM 29814 N NE . ARG A 1 64 ? -6.435 -1.150 9.824 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 19 +ATOM 29815 C CZ . ARG A 1 64 ? -7.462 -1.364 10.659 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 19 +ATOM 29816 N NH1 . ARG A 1 64 ? -8.669 -1.673 10.190 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 19 +ATOM 29817 N NH2 . ARG A 1 64 ? -7.283 -1.222 11.964 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 19 +ATOM 29818 H H . ARG A 1 64 ? -7.298 -1.872 4.794 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 19 +ATOM 29819 H HA . ARG A 1 64 ? -5.402 0.209 5.546 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 19 +ATOM 29820 H HB2 . ARG A 1 64 ? -5.338 -2.724 6.233 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 19 +ATOM 29821 H HB3 . ARG A 1 64 ? -3.855 -1.815 6.078 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 19 +ATOM 29822 H HG2 . ARG A 1 64 ? -4.391 -1.978 8.392 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 19 +ATOM 29823 H HG3 . ARG A 1 64 ? -4.661 -0.312 7.902 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 19 +ATOM 29824 H HD2 . ARG A 1 64 ? -7.056 -0.676 7.880 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 19 +ATOM 29825 H HD3 . ARG A 1 64 ? -6.829 -2.397 8.194 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 19 +ATOM 29826 H HE . ARG A 1 64 ? -5.576 -0.831 10.183 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 19 +ATOM 29827 H HH11 . ARG A 1 64 ? -8.871 -1.748 9.206 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 19 +ATOM 29828 H HH12 . ARG A 1 64 ? -9.454 -1.847 10.790 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 19 +ATOM 29829 H HH21 . ARG A 1 64 ? -6.397 -0.956 12.352 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 19 +ATOM 29830 H HH22 . ARG A 1 64 ? -8.019 -1.367 12.630 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 19 +ATOM 29831 N N . LEU A 1 65 ? -3.861 -0.447 3.664 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 19 +ATOM 29832 C CA . LEU A 1 65 ? -3.152 -0.611 2.424 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 19 +ATOM 29833 C C . LEU A 1 65 ? -1.676 -0.810 2.752 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 19 +ATOM 29834 O O . LEU A 1 65 ? -1.092 0.003 3.462 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 19 +ATOM 29835 C CB . LEU A 1 65 ? -3.416 0.637 1.530 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 19 +ATOM 29836 C CG . LEU A 1 65 ? -2.865 0.643 0.086 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 19 +ATOM 29837 C CD1 . LEU A 1 65 ? -3.558 1.720 -0.728 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 19 +ATOM 29838 C CD2 . LEU A 1 65 ? -1.380 0.921 0.070 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 19 +ATOM 29839 H H . LEU A 1 65 ? -3.501 0.168 4.342 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 19 +ATOM 29840 H HA . LEU A 1 65 ? -3.530 -1.496 1.934 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 19 +ATOM 29841 H HB2 . LEU A 1 65 ? -4.485 0.774 1.469 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 19 +ATOM 29842 H HB3 . LEU A 1 65 ? -3.006 1.490 2.049 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 19 +ATOM 29843 H HG . LEU A 1 65 ? -3.047 -0.317 -0.371 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 19 +ATOM 29844 H HD11 . LEU A 1 65 ? -3.407 2.679 -0.256 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 19 +ATOM 29845 H HD12 . LEU A 1 65 ? -4.613 1.504 -0.797 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 19 +ATOM 29846 H HD13 . LEU A 1 65 ? -3.130 1.741 -1.720 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 19 +ATOM 29847 H HD21 . LEU A 1 65 ? -1.203 1.879 0.537 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 19 +ATOM 29848 H HD22 . LEU A 1 65 ? -1.034 0.947 -0.953 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 19 +ATOM 29849 H HD23 . LEU A 1 65 ? -0.859 0.149 0.617 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 19 +ATOM 29850 N N . VAL A 1 66 ? -1.093 -1.890 2.263 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 19 +ATOM 29851 C CA . VAL A 1 66 ? 0.294 -2.222 2.552 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 19 +ATOM 29852 C C . VAL A 1 66 ? 1.129 -2.118 1.282 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 19 +ATOM 29853 O O . VAL A 1 66 ? 0.806 -2.726 0.247 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 19 +ATOM 29854 C CB . VAL A 1 66 ? 0.433 -3.655 3.151 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 19 +ATOM 29855 C CG1 . VAL A 1 66 ? 1.887 -3.970 3.500 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 19 +ATOM 29856 C CG2 . VAL A 1 66 ? -0.449 -3.815 4.380 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 19 +ATOM 29857 H H . VAL A 1 66 ? -1.588 -2.486 1.655 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 19 +ATOM 29858 H HA . VAL A 1 66 ? 0.663 -1.506 3.270 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 19 +ATOM 29859 H HB . VAL A 1 66 ? 0.110 -4.363 2.403 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 19 +ATOM 29860 H HG11 . VAL A 1 66 ? 1.956 -4.968 3.906 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 19 +ATOM 29861 H HG12 . VAL A 1 66 ? 2.244 -3.264 4.235 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 19 +ATOM 29862 H HG13 . VAL A 1 66 ? 2.499 -3.899 2.612 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 19 +ATOM 29863 H HG21 . VAL A 1 66 ? -1.482 -3.658 4.105 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 19 +ATOM 29864 H HG22 . VAL A 1 66 ? -0.160 -3.092 5.127 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 19 +ATOM 29865 H HG23 . VAL A 1 66 ? -0.330 -4.810 4.783 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 19 +ATOM 29866 N N . TYR A 1 67 ? 2.188 -1.369 1.360 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 19 +ATOM 29867 C CA . TYR A 1 67 ? 3.060 -1.139 0.238 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 19 +ATOM 29868 C C . TYR A 1 67 ? 4.494 -1.170 0.688 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 19 +ATOM 29869 O O . TYR A 1 67 ? 4.762 -1.053 1.874 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 19 +ATOM 29870 C CB . TYR A 1 67 ? 2.752 0.214 -0.449 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 19 +ATOM 29871 C CG . TYR A 1 67 ? 2.882 1.463 0.421 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 19 +ATOM 29872 C CD1 . TYR A 1 67 ? 4.117 1.906 0.900 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 19 +ATOM 29873 C CD2 . TYR A 1 67 ? 1.773 2.212 0.727 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 19 +ATOM 29874 C CE1 . TYR A 1 67 ? 4.221 3.047 1.656 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 19 +ATOM 29875 C CE2 . TYR A 1 67 ? 1.870 3.352 1.481 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 19 +ATOM 29876 C CZ . TYR A 1 67 ? 3.097 3.764 1.944 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 19 +ATOM 29877 O OH . TYR A 1 67 ? 3.193 4.898 2.700 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 19 +ATOM 29878 H H . TYR A 1 67 ? 2.423 -0.962 2.227 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 19 +ATOM 29879 H HA . TYR A 1 67 ? 2.901 -1.932 -0.476 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 19 +ATOM 29880 H HB2 . TYR A 1 67 ? 3.410 0.345 -1.295 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 19 +ATOM 29881 H HB3 . TYR A 1 67 ? 1.736 0.179 -0.812 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 19 +ATOM 29882 H HD1 . TYR A 1 67 ? 5.001 1.331 0.671 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 19 +ATOM 29883 H HD2 . TYR A 1 67 ? 0.810 1.888 0.363 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 19 +ATOM 29884 H HE1 . TYR A 1 67 ? 5.185 3.372 2.017 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 19 +ATOM 29885 H HE2 . TYR A 1 67 ? 0.976 3.917 1.697 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 19 +ATOM 29886 H HH . TYR A 1 67 ? 2.493 4.891 3.357 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 19 +ATOM 29887 N N . GLN A 1 68 ? 5.398 -1.383 -0.214 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 19 +ATOM 29888 C CA . GLN A 1 68 ? 6.776 -1.229 0.125 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 19 +ATOM 29889 C C . GLN A 1 68 ? 7.333 -0.068 -0.656 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 19 +ATOM 29890 O O . GLN A 1 68 ? 6.962 0.153 -1.823 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 19 +ATOM 29891 C CB . GLN A 1 68 ? 7.636 -2.482 -0.100 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 19 +ATOM 29892 C CG . GLN A 1 68 ? 7.912 -2.835 -1.548 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 19 +ATOM 29893 C CD . GLN A 1 68 ? 9.070 -3.794 -1.671 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 19 +ATOM 29894 O OE1 . GLN A 1 68 ? 8.905 -5.001 -1.674 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 19 +ATOM 29895 N NE2 . GLN A 1 68 ? 10.262 -3.265 -1.726 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 19 +ATOM 29896 H H . GLN A 1 68 ? 5.132 -1.608 -1.135 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 19 +ATOM 29897 H HA . GLN A 1 68 ? 6.807 -0.952 1.168 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 19 +ATOM 29898 H HB2 . GLN A 1 68 ? 8.586 -2.342 0.392 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 19 +ATOM 29899 H HB3 . GLN A 1 68 ? 7.132 -3.317 0.362 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 19 +ATOM 29900 H HG2 . GLN A 1 68 ? 7.031 -3.292 -1.976 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 19 +ATOM 29901 H HG3 . GLN A 1 68 ? 8.150 -1.933 -2.093 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 19 +ATOM 29902 H HE21 . GLN A 1 68 ? 10.342 -2.289 -1.680 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 19 +ATOM 29903 H HE22 . GLN A 1 68 ? 11.040 -3.855 -1.834 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 19 +ATOM 29904 N N . VAL A 1 69 ? 8.164 0.686 -0.032 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 19 +ATOM 29905 C CA . VAL A 1 69 ? 8.797 1.788 -0.678 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 19 +ATOM 29906 C C . VAL A 1 69 ? 10.091 1.301 -1.263 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 19 +ATOM 29907 O O . VAL A 1 69 ? 10.957 0.837 -0.549 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 19 +ATOM 29908 C CB . VAL A 1 69 ? 9.071 2.949 0.314 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 19 +ATOM 29909 C CG1 . VAL A 1 69 ? 9.862 4.069 -0.345 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 19 +ATOM 29910 C CG2 . VAL A 1 69 ? 7.770 3.491 0.863 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 19 +ATOM 29911 H H . VAL A 1 69 ? 8.405 0.490 0.904 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 19 +ATOM 29912 H HA . VAL A 1 69 ? 8.153 2.141 -1.470 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 19 +ATOM 29913 H HB . VAL A 1 69 ? 9.650 2.563 1.139 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 19 +ATOM 29914 H HG11 . VAL A 1 69 ? 10.026 4.857 0.375 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 19 +ATOM 29915 H HG12 . VAL A 1 69 ? 9.314 4.453 -1.193 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 19 +ATOM 29916 H HG13 . VAL A 1 69 ? 10.814 3.676 -0.671 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 19 +ATOM 29917 H HG21 . VAL A 1 69 ? 7.987 4.275 1.574 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 19 +ATOM 29918 H HG22 . VAL A 1 69 ? 7.232 2.696 1.358 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 19 +ATOM 29919 H HG23 . VAL A 1 69 ? 7.170 3.888 0.058 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 19 +ATOM 29920 N N . ILE A 1 70 ? 10.199 1.301 -2.551 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 19 +ATOM 29921 C CA . ILE A 1 70 ? 11.436 0.946 -3.147 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 19 +ATOM 29922 C C . ILE A 1 70 ? 12.122 2.232 -3.521 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 19 +ATOM 29923 O O . ILE A 1 70 ? 11.859 2.798 -4.591 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 19 +ATOM 29924 C CB . ILE A 1 70 ? 11.274 0.070 -4.410 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 19 +ATOM 29925 C CG1 . ILE A 1 70 ? 10.284 -1.073 -4.150 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 19 +ATOM 29926 C CG2 . ILE A 1 70 ? 12.639 -0.502 -4.779 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 19 +ATOM 29927 C CD1 . ILE A 1 70 ? 9.993 -1.940 -5.362 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 19 +ATOM 29928 H H . ILE A 1 70 ? 9.447 1.572 -3.126 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 19 +ATOM 29929 H HA . ILE A 1 70 ? 12.029 0.424 -2.411 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 19 +ATOM 29930 H HB . ILE A 1 70 ? 10.918 0.684 -5.223 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 19 +ATOM 29931 H HG12 . ILE A 1 70 ? 10.685 -1.717 -3.382 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 19 +ATOM 29932 H HG13 . ILE A 1 70 ? 9.350 -0.655 -3.806 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 19 +ATOM 29933 H HG21 . ILE A 1 70 ? 13.323 0.305 -4.997 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 19 +ATOM 29934 H HG22 . ILE A 1 70 ? 12.544 -1.143 -5.643 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 19 +ATOM 29935 H HG23 . ILE A 1 70 ? 13.019 -1.075 -3.947 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 19 +ATOM 29936 H HD11 . ILE A 1 70 ? 10.912 -2.392 -5.709 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 19 +ATOM 29937 H HD12 . ILE A 1 70 ? 9.571 -1.332 -6.148 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 19 +ATOM 29938 H HD13 . ILE A 1 70 ? 9.292 -2.714 -5.089 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 19 +ATOM 29939 N N . ASP A 1 71 ? 12.983 2.707 -2.657 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 19 +ATOM 29940 C CA . ASP A 1 71 ? 13.649 3.984 -2.884 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 19 +ATOM 29941 C C . ASP A 1 71 ? 14.619 3.880 -4.042 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 19 +ATOM 29942 O O . ASP A 1 71 ? 14.756 4.807 -4.830 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 19 +ATOM 29943 C CB . ASP A 1 71 ? 14.341 4.487 -1.615 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 19 +ATOM 29944 C CG . ASP A 1 71 ? 15.005 5.835 -1.807 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 19 +ATOM 29945 O OD1 . ASP A 1 71 ? 14.340 6.880 -1.626 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 19 +ATOM 29946 O OD2 . ASP A 1 71 ? 16.211 5.872 -2.143 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 19 +ATOM 29947 H H . ASP A 1 71 ? 13.166 2.206 -1.832 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 19 +ATOM 29948 H HA . ASP A 1 71 ? 12.883 4.686 -3.172 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 19 +ATOM 29949 H HB2 . ASP A 1 71 ? 13.609 4.579 -0.825 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 19 +ATOM 29950 H HB3 . ASP A 1 71 ? 15.093 3.772 -1.316 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 19 +ATOM 29951 N N . GLU A 1 72 ? 15.213 2.700 -4.184 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 19 +ATOM 29952 C CA . GLU A 1 72 ? 16.170 2.397 -5.265 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 19 +ATOM 29953 C C . GLU A 1 72 ? 15.526 2.600 -6.641 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 19 +ATOM 29954 O O . GLU A 1 72 ? 16.187 2.981 -7.603 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 19 +ATOM 29955 C CB . GLU A 1 72 ? 16.600 0.944 -5.175 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 19 +ATOM 29956 C CG . GLU A 1 72 ? 17.066 0.505 -3.810 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 19 +ATOM 29957 C CD . GLU A 1 72 ? 17.409 -0.952 -3.789 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 19 +ATOM 29958 O OE1 . GLU A 1 72 ? 16.557 -1.776 -4.184 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 19 +ATOM 29959 O OE2 . GLU A 1 72 ? 18.540 -1.308 -3.422 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 19 +ATOM 29960 H H . GLU A 1 72 ? 15.028 2.016 -3.508 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 19 +ATOM 29961 H HA . GLU A 1 72 ? 17.039 3.028 -5.162 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 19 +ATOM 29962 H HB2 . GLU A 1 72 ? 15.766 0.321 -5.459 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 19 +ATOM 29963 H HB3 . GLU A 1 72 ? 17.404 0.779 -5.877 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 19 +ATOM 29964 H HG2 . GLU A 1 72 ? 17.936 1.077 -3.527 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 19 +ATOM 29965 H HG3 . GLU A 1 72 ? 16.270 0.681 -3.103 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 19 +ATOM 29966 N N . LYS A 1 73 ? 14.242 2.318 -6.731 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 19 +ATOM 29967 C CA . LYS A 1 73 ? 13.521 2.425 -7.995 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 19 +ATOM 29968 C C . LYS A 1 73 ? 12.656 3.684 -8.004 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 19 +ATOM 29969 O O . LYS A 1 73 ? 12.063 4.029 -9.021 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 19 +ATOM 29970 C CB . LYS A 1 73 ? 12.640 1.186 -8.210 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 19 +ATOM 29971 C CG . LYS A 1 73 ? 13.381 -0.147 -8.242 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 19 +ATOM 29972 C CD . LYS A 1 73 ? 12.402 -1.314 -8.385 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 19 +ATOM 29973 C CE . LYS A 1 73 ? 13.099 -2.659 -8.219 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 19 +ATOM 29974 N NZ . LYS A 1 73 ? 12.165 -3.810 -8.344 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 19 +ATOM 29975 H H . LYS A 1 73 ? 13.761 2.046 -5.922 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 19 +ATOM 29976 H HA . LYS A 1 73 ? 14.246 2.485 -8.793 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 19 +ATOM 29977 H HB2 . LYS A 1 73 ? 11.953 1.132 -7.379 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 19 +ATOM 29978 H HB3 . LYS A 1 73 ? 12.084 1.299 -9.130 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 19 +ATOM 29979 H HG2 . LYS A 1 73 ? 14.062 -0.151 -9.079 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 19 +ATOM 29980 H HG3 . LYS A 1 73 ? 13.937 -0.262 -7.324 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 19 +ATOM 29981 H HD2 . LYS A 1 73 ? 11.629 -1.223 -7.636 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 19 +ATOM 29982 H HD3 . LYS A 1 73 ? 11.950 -1.269 -9.366 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 19 +ATOM 29983 H HE2 . LYS A 1 73 ? 13.876 -2.754 -8.963 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 19 +ATOM 29984 H HE3 . LYS A 1 73 ? 13.542 -2.681 -7.234 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 19 +ATOM 29985 H HZ1 . LYS A 1 73 ? 12.672 -4.704 -8.184 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 19 +ATOM 29986 H HZ2 . LYS A 1 73 ? 11.761 -3.838 -9.302 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 19 +ATOM 29987 H HZ3 . LYS A 1 73 ? 11.359 -3.764 -7.688 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 19 +ATOM 29988 N N . VAL A 1 74 ? 12.604 4.358 -6.844 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 19 +ATOM 29989 C CA . VAL A 1 74 ? 11.816 5.585 -6.627 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 19 +ATOM 29990 C C . VAL A 1 74 ? 10.299 5.273 -6.806 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 19 +ATOM 29991 O O . VAL A 1 74 ? 9.495 6.119 -7.172 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 19 +ATOM 29992 C CB . VAL A 1 74 ? 12.303 6.762 -7.571 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 19 +ATOM 29993 C CG1 . VAL A 1 74 ? 11.654 8.102 -7.214 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 19 +ATOM 29994 C CG2 . VAL A 1 74 ? 13.819 6.904 -7.511 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 19 +ATOM 29995 H H . VAL A 1 74 ? 13.131 4.025 -6.089 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 19 +ATOM 29996 H HA . VAL A 1 74 ? 11.967 5.867 -5.593 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 19 +ATOM 29997 H HB . VAL A 1 74 ? 12.028 6.512 -8.586 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 19 +ATOM 29998 H HG11 . VAL A 1 74 ? 11.902 8.362 -6.195 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 19 +ATOM 29999 H HG12 . VAL A 1 74 ? 10.583 8.019 -7.313 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 19 +ATOM 30000 H HG13 . VAL A 1 74 ? 12.019 8.869 -7.881 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 19 +ATOM 30001 H HG21 . VAL A 1 74 ? 14.118 7.128 -6.498 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 19 +ATOM 30002 H HG22 . VAL A 1 74 ? 14.137 7.704 -8.163 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 19 +ATOM 30003 H HG23 . VAL A 1 74 ? 14.277 5.977 -7.822 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 19 +ATOM 30004 N N . VAL A 1 75 ? 9.907 4.067 -6.457 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 19 +ATOM 30005 C CA . VAL A 1 75 ? 8.528 3.669 -6.620 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 19 +ATOM 30006 C C . VAL A 1 75 ? 7.990 3.020 -5.347 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 19 +ATOM 30007 O O . VAL A 1 75 ? 8.691 2.276 -4.652 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 19 +ATOM 30008 C CB . VAL A 1 75 ? 8.318 2.724 -7.866 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 19 +ATOM 30009 C CG1 . VAL A 1 75 ? 9.071 1.419 -7.720 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 19 +ATOM 30010 C CG2 . VAL A 1 75 ? 6.838 2.456 -8.141 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 19 +ATOM 30011 H H . VAL A 1 75 ? 10.545 3.445 -6.045 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 19 +ATOM 30012 H HA . VAL A 1 75 ? 7.966 4.577 -6.787 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 19 +ATOM 30013 H HB . VAL A 1 75 ? 8.733 3.232 -8.725 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 19 +ATOM 30014 H HG11 . VAL A 1 75 ? 10.122 1.639 -7.630 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 19 +ATOM 30015 H HG12 . VAL A 1 75 ? 8.898 0.803 -8.591 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 19 +ATOM 30016 H HG13 . VAL A 1 75 ? 8.732 0.904 -6.834 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 19 +ATOM 30017 H HG21 . VAL A 1 75 ? 6.740 1.810 -9.001 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 19 +ATOM 30018 H HG22 . VAL A 1 75 ? 6.328 3.388 -8.331 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 19 +ATOM 30019 H HG23 . VAL A 1 75 ? 6.398 1.977 -7.279 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 19 +ATOM 30020 N N . VAL A 1 76 ? 6.788 3.364 -5.030 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 19 +ATOM 30021 C CA . VAL A 1 76 ? 6.054 2.798 -3.955 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 19 +ATOM 30022 C C . VAL A 1 76 ? 5.180 1.709 -4.553 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 19 +ATOM 30023 O O . VAL A 1 76 ? 4.298 1.982 -5.387 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 19 +ATOM 30024 C CB . VAL A 1 76 ? 5.182 3.882 -3.267 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 19 +ATOM 30025 C CG1 . VAL A 1 76 ? 4.300 3.281 -2.204 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 19 +ATOM 30026 C CG2 . VAL A 1 76 ? 6.062 4.958 -2.656 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 19 +ATOM 30027 H H . VAL A 1 76 ? 6.330 4.044 -5.572 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 19 +ATOM 30028 H HA . VAL A 1 76 ? 6.744 2.371 -3.243 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 19 +ATOM 30029 H HB . VAL A 1 76 ? 4.562 4.346 -4.019 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 19 +ATOM 30030 H HG11 . VAL A 1 76 ? 3.707 4.058 -1.745 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 19 +ATOM 30031 H HG12 . VAL A 1 76 ? 4.914 2.806 -1.454 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 19 +ATOM 30032 H HG13 . VAL A 1 76 ? 3.646 2.547 -2.654 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 19 +ATOM 30033 H HG21 . VAL A 1 76 ? 5.446 5.706 -2.178 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 19 +ATOM 30034 H HG22 . VAL A 1 76 ? 6.651 5.419 -3.436 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 19 +ATOM 30035 H HG23 . VAL A 1 76 ? 6.721 4.512 -1.928 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 19 +ATOM 30036 N N . PHE A 1 77 ? 5.442 0.501 -4.169 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 19 +ATOM 30037 C CA . PHE A 1 77 ? 4.774 -0.633 -4.735 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 19 +ATOM 30038 C C . PHE A 1 77 ? 3.769 -1.188 -3.747 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 19 +ATOM 30039 O O . PHE A 1 77 ? 4.151 -1.708 -2.690 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 19 +ATOM 30040 C CB . PHE A 1 77 ? 5.814 -1.696 -5.118 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 19 +ATOM 30041 C CG . PHE A 1 77 ? 5.252 -2.912 -5.797 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 19 +ATOM 30042 C CD1 . PHE A 1 77 ? 4.900 -2.868 -7.134 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 19 +ATOM 30043 C CD2 . PHE A 1 77 ? 5.079 -4.098 -5.100 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 19 +ATOM 30044 C CE1 . PHE A 1 77 ? 4.389 -3.979 -7.764 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 19 +ATOM 30045 C CE2 . PHE A 1 77 ? 4.567 -5.214 -5.725 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 19 +ATOM 30046 C CZ . PHE A 1 77 ? 4.221 -5.154 -7.060 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 19 +ATOM 30047 H H . PHE A 1 77 ? 6.098 0.359 -3.451 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 19 +ATOM 30048 H HA . PHE A 1 77 ? 4.260 -0.314 -5.630 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 19 +ATOM 30049 H HB2 . PHE A 1 77 ? 6.537 -1.253 -5.789 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 19 +ATOM 30050 H HB3 . PHE A 1 77 ? 6.323 -2.018 -4.222 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 19 +ATOM 30051 H HD1 . PHE A 1 77 ? 5.031 -1.948 -7.686 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 19 +ATOM 30052 H HD2 . PHE A 1 77 ? 5.348 -4.143 -4.055 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 19 +ATOM 30053 H HE1 . PHE A 1 77 ? 4.120 -3.930 -8.809 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 19 +ATOM 30054 H HE2 . PHE A 1 77 ? 4.437 -6.133 -5.173 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 19 +ATOM 30055 H HZ . PHE A 1 77 ? 3.818 -6.026 -7.554 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 19 +ATOM 30056 N N . VAL A 1 78 ? 2.502 -1.050 -4.071 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 19 +ATOM 30057 C CA . VAL A 1 78 ? 1.433 -1.558 -3.240 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 19 +ATOM 30058 C C . VAL A 1 78 ? 1.360 -3.056 -3.404 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 19 +ATOM 30059 O O . VAL A 1 78 ? 1.186 -3.561 -4.517 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 19 +ATOM 30060 C CB . VAL A 1 78 ? 0.066 -0.912 -3.580 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 19 +ATOM 30061 C CG1 . VAL A 1 78 ? -1.040 -1.449 -2.669 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 19 +ATOM 30062 C CG2 . VAL A 1 78 ? 0.155 0.605 -3.481 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 19 +ATOM 30063 H H . VAL A 1 78 ? 2.280 -0.604 -4.920 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 19 +ATOM 30064 H HA . VAL A 1 78 ? 1.686 -1.342 -2.213 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 19 +ATOM 30065 H HB . VAL A 1 78 ? -0.187 -1.171 -4.597 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 19 +ATOM 30066 H HG11 . VAL A 1 78 ? -1.124 -2.518 -2.799 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 19 +ATOM 30067 H HG12 . VAL A 1 78 ? -1.981 -0.983 -2.921 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 19 +ATOM 30068 H HG13 . VAL A 1 78 ? -0.797 -1.234 -1.640 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 19 +ATOM 30069 H HG21 . VAL A 1 78 ? 0.457 0.890 -2.485 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 19 +ATOM 30070 H HG22 . VAL A 1 78 ? -0.811 1.038 -3.698 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 19 +ATOM 30071 H HG23 . VAL A 1 78 ? 0.880 0.969 -4.195 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 19 +ATOM 30072 N N . ILE A 1 79 ? 1.500 -3.747 -2.308 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 19 +ATOM 30073 C CA . ILE A 1 79 ? 1.579 -5.181 -2.314 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 19 +ATOM 30074 C C . ILE A 1 79 ? 0.200 -5.788 -2.058 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 19 +ATOM 30075 O O . ILE A 1 79 ? -0.189 -6.767 -2.691 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 19 +ATOM 30076 C CB . ILE A 1 79 ? 2.564 -5.670 -1.222 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 19 +ATOM 30077 C CG1 . ILE A 1 79 ? 3.903 -4.926 -1.334 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 19 +ATOM 30078 C CG2 . ILE A 1 79 ? 2.795 -7.162 -1.369 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 19 +ATOM 30079 C CD1 . ILE A 1 79 ? 4.878 -5.246 -0.221 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 19 +ATOM 30080 H H . ILE A 1 79 ? 1.531 -3.275 -1.447 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 19 +ATOM 30081 H HA . ILE A 1 79 ? 1.946 -5.504 -3.277 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 19 +ATOM 30082 H HB . ILE A 1 79 ? 2.133 -5.477 -0.250 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 19 +ATOM 30083 H HG12 . ILE A 1 79 ? 4.374 -5.191 -2.268 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 19 +ATOM 30084 H HG13 . ILE A 1 79 ? 3.717 -3.863 -1.320 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 19 +ATOM 30085 H HG21 . ILE A 1 79 ? 1.849 -7.677 -1.284 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 19 +ATOM 30086 H HG22 . ILE A 1 79 ? 3.467 -7.503 -0.595 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 19 +ATOM 30087 H HG23 . ILE A 1 79 ? 3.228 -7.365 -2.338 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 19 +ATOM 30088 H HD11 . ILE A 1 79 ? 5.801 -4.712 -0.389 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 19 +ATOM 30089 H HD12 . ILE A 1 79 ? 5.071 -6.308 -0.204 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 19 +ATOM 30090 H HD13 . ILE A 1 79 ? 4.456 -4.945 0.726 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 19 +ATOM 30091 N N . SER A 1 80 ? -0.538 -5.196 -1.140 1.00 0.00 ? ? ? ? ? ? 77 SER A N 19 +ATOM 30092 C CA . SER A 1 80 ? -1.841 -5.697 -0.791 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 19 +ATOM 30093 C C . SER A 1 80 ? -2.674 -4.557 -0.209 1.00 0.00 ? ? ? ? ? ? 77 SER A C 19 +ATOM 30094 O O . SER A 1 80 ? -2.122 -3.596 0.344 1.00 0.00 ? ? ? ? ? ? 77 SER A O 19 +ATOM 30095 C CB . SER A 1 80 ? -1.705 -6.862 0.214 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 19 +ATOM 30096 O OG . SER A 1 80 ? -2.953 -7.492 0.462 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 19 +ATOM 30097 H H . SER A 1 80 ? -0.226 -4.386 -0.679 1.00 0.00 ? ? ? ? ? ? 77 SER A H 19 +ATOM 30098 H HA . SER A 1 80 ? -2.315 -6.057 -1.691 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 19 +ATOM 30099 H HB2 . SER A 1 80 ? -1.021 -7.596 -0.183 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 19 +ATOM 30100 H HB3 . SER A 1 80 ? -1.313 -6.483 1.147 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 19 +ATOM 30101 H HG . SER A 1 80 ? -2.889 -8.422 0.227 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 19 +ATOM 30102 N N . VAL A 1 81 ? -3.971 -4.643 -0.361 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 19 +ATOM 30103 C CA . VAL A 1 81 ? -4.880 -3.637 0.120 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 19 +ATOM 30104 C C . VAL A 1 81 ? -6.205 -4.318 0.485 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 19 +ATOM 30105 O O . VAL A 1 81 ? -6.564 -5.336 -0.120 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 19 +ATOM 30106 C CB . VAL A 1 81 ? -5.090 -2.512 -0.958 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 19 +ATOM 30107 C CG1 . VAL A 1 81 ? -5.686 -3.053 -2.247 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 19 +ATOM 30108 C CG2 . VAL A 1 81 ? -5.929 -1.372 -0.420 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 19 +ATOM 30109 H H . VAL A 1 81 ? -4.368 -5.435 -0.782 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 19 +ATOM 30110 H HA . VAL A 1 81 ? -4.453 -3.202 1.012 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 19 +ATOM 30111 H HB . VAL A 1 81 ? -4.113 -2.122 -1.204 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 19 +ATOM 30112 H HG11 . VAL A 1 81 ? -5.025 -3.797 -2.666 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 19 +ATOM 30113 H HG12 . VAL A 1 81 ? -5.813 -2.247 -2.955 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 19 +ATOM 30114 H HG13 . VAL A 1 81 ? -6.646 -3.502 -2.040 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 19 +ATOM 30115 H HG21 . VAL A 1 81 ? -5.438 -0.943 0.441 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 19 +ATOM 30116 H HG22 . VAL A 1 81 ? -6.904 -1.743 -0.139 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 19 +ATOM 30117 H HG23 . VAL A 1 81 ? -6.034 -0.618 -1.187 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 19 +ATOM 30118 N N . GLY A 1 82 ? -6.884 -3.812 1.487 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 19 +ATOM 30119 C CA . GLY A 1 82 ? -8.159 -4.369 1.867 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 19 +ATOM 30120 C C . GLY A 1 82 ? -8.397 -4.227 3.342 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 19 +ATOM 30121 O O . GLY A 1 82 ? -7.892 -3.302 3.960 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 19 +ATOM 30122 H H . GLY A 1 82 ? -6.510 -3.062 2.006 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 19 +ATOM 30123 H HA2 . GLY A 1 82 ? -8.943 -3.859 1.328 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 19 +ATOM 30124 H HA3 . GLY A 1 82 ? -8.179 -5.415 1.610 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 19 +ATOM 30125 N N . LYS A 1 83 ? -9.150 -5.118 3.911 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 19 +ATOM 30126 C CA . LYS A 1 83 ? -9.395 -5.077 5.332 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 19 +ATOM 30127 C C . LYS A 1 83 ? -8.324 -5.886 6.012 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 19 +ATOM 30128 O O . LYS A 1 83 ? -7.962 -6.964 5.537 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 19 +ATOM 30129 C CB . LYS A 1 83 ? -10.773 -5.621 5.677 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 19 +ATOM 30130 C CG . LYS A 1 83 ? -11.907 -4.913 4.968 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 19 +ATOM 30131 C CD . LYS A 1 83 ? -13.241 -5.432 5.441 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 19 +ATOM 30132 C CE . LYS A 1 83 ? -14.382 -4.842 4.636 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 19 +ATOM 30133 N NZ . LYS A 1 83 ? -15.693 -5.349 5.073 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 19 +ATOM 30134 H H . LYS A 1 83 ? -9.525 -5.850 3.377 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 19 +ATOM 30135 H HA . LYS A 1 83 ? -9.316 -4.050 5.654 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 19 +ATOM 30136 H HB2 . LYS A 1 83 ? -10.809 -6.667 5.409 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 19 +ATOM 30137 H HB3 . LYS A 1 83 ? -10.928 -5.528 6.742 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 19 +ATOM 30138 H HG2 . LYS A 1 83 ? -11.846 -3.855 5.170 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 19 +ATOM 30139 H HG3 . LYS A 1 83 ? -11.818 -5.082 3.905 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 19 +ATOM 30140 H HD2 . LYS A 1 83 ? -13.256 -6.509 5.364 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 19 +ATOM 30141 H HD3 . LYS A 1 83 ? -13.344 -5.128 6.473 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 19 +ATOM 30142 H HE2 . LYS A 1 83 ? -14.365 -3.767 4.733 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 19 +ATOM 30143 H HE3 . LYS A 1 83 ? -14.234 -5.100 3.598 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 19 +ATOM 30144 H HZ1 . LYS A 1 83 ? -16.447 -4.906 4.512 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 19 +ATOM 30145 H HZ2 . LYS A 1 83 ? -15.884 -5.140 6.072 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 19 +ATOM 30146 H HZ3 . LYS A 1 83 ? -15.761 -6.377 4.926 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 19 +ATOM 30147 N N . ALA A 1 84 ? -7.811 -5.385 7.098 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 19 +ATOM 30148 C CA . ALA A 1 84 ? -6.719 -6.035 7.752 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 19 +ATOM 30149 C C . ALA A 1 84 ? -6.956 -6.191 9.227 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 19 +ATOM 30150 O O . ALA A 1 84 ? -6.879 -5.213 9.995 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 19 +ATOM 30151 C CB . ALA A 1 84 ? -5.433 -5.271 7.512 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 19 +ATOM 30152 H H . ALA A 1 84 ? -8.184 -4.567 7.488 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 19 +ATOM 30153 H HA . ALA A 1 84 ? -6.599 -7.013 7.311 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 19 +ATOM 30154 H HB1 . ALA A 1 84 ? -4.605 -5.812 7.947 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 19 +ATOM 30155 H HB2 . ALA A 1 84 ? -5.502 -4.297 7.973 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 19 +ATOM 30156 H HB3 . ALA A 1 84 ? -5.270 -5.159 6.451 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 19 +ATOM 30157 N N . GLU A 1 85 ? -7.277 -7.390 9.632 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 19 +ATOM 30158 C CA . GLU A 1 85 ? -7.371 -7.679 11.036 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 19 +ATOM 30159 C C . GLU A 1 85 ? -5.961 -7.905 11.548 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 19 +ATOM 30160 O O . GLU A 1 85 ? -5.594 -7.415 12.612 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 19 +ATOM 30161 C CB . GLU A 1 85 ? -8.275 -8.883 11.302 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 19 +ATOM 30162 C CG . GLU A 1 85 ? -9.692 -8.718 10.753 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 19 +ATOM 30163 C CD . GLU A 1 85 ? -10.421 -7.537 11.350 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 19 +ATOM 30164 O OE1 . GLU A 1 85 ? -10.288 -6.414 10.831 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 19 +ATOM 30165 O OE2 . GLU A 1 85 ? -11.137 -7.713 12.358 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 19 +ATOM 30166 H H . GLU A 1 85 ? -7.481 -8.091 8.976 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 19 +ATOM 30167 H HA . GLU A 1 85 ? -7.768 -6.802 11.525 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 19 +ATOM 30168 H HB2 . GLU A 1 85 ? -7.833 -9.762 10.857 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 19 +ATOM 30169 H HB3 . GLU A 1 85 ? -8.344 -9.034 12.369 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 19 +ATOM 30170 H HG2 . GLU A 1 85 ? -9.633 -8.575 9.685 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 19 +ATOM 30171 H HG3 . GLU A 1 85 ? -10.253 -9.617 10.963 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 19 +ATOM 30172 N N . ALA A 1 86 ? -5.163 -8.606 10.732 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 19 +ATOM 30173 C CA . ALA A 1 86 ? -3.745 -8.844 10.973 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 19 +ATOM 30174 C C . ALA A 1 86 ? -3.125 -9.642 9.823 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 19 +ATOM 30175 O O . ALA A 1 86 ? -2.515 -9.081 8.917 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 19 +ATOM 30176 C CB . ALA A 1 86 ? -3.490 -9.569 12.301 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 19 +ATOM 30177 H H . ALA A 1 86 ? -5.563 -8.991 9.923 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 19 +ATOM 30178 H HA . ALA A 1 86 ? -3.260 -7.879 11.009 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 19 +ATOM 30179 H HB1 . ALA A 1 86 ? -3.934 -10.552 12.272 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 19 +ATOM 30180 H HB2 . ALA A 1 86 ? -3.925 -9.002 13.111 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 19 +ATOM 30181 H HB3 . ALA A 1 86 ? -2.425 -9.659 12.457 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 19 +ATOM 30182 N N . SER A 1 87 ? -3.396 -10.929 9.819 1.00 0.00 ? ? ? ? ? ? 84 SER A N 19 +ATOM 30183 C CA . SER A 1 87 ? -2.740 -11.886 8.950 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 19 +ATOM 30184 C C . SER A 1 87 ? -3.036 -11.687 7.460 1.00 0.00 ? ? ? ? ? ? 84 SER A C 19 +ATOM 30185 O O . SER A 1 87 ? -2.158 -11.902 6.651 1.00 0.00 ? ? ? ? ? ? 84 SER A O 19 +ATOM 30186 C CB . SER A 1 87 ? -3.122 -13.315 9.380 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 19 +ATOM 30187 O OG . SER A 1 87 ? -2.358 -14.312 8.699 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 19 +ATOM 30188 H H . SER A 1 87 ? -4.086 -11.268 10.432 1.00 0.00 ? ? ? ? ? ? 84 SER A H 19 +ATOM 30189 H HA . SER A 1 87 ? -1.676 -11.784 9.099 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 19 +ATOM 30190 H HB2 . SER A 1 87 ? -2.971 -13.425 10.442 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 19 +ATOM 30191 H HB3 . SER A 1 87 ? -4.167 -13.473 9.158 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 19 +ATOM 30192 H HG . SER A 1 87 ? -1.803 -13.909 8.010 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 19 +ATOM 30193 N N . GLU A 1 88 ? -4.219 -11.197 7.121 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 19 +ATOM 30194 C CA . GLU A 1 88 ? -4.686 -11.171 5.717 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 19 +ATOM 30195 C C . GLU A 1 88 ? -3.724 -10.408 4.802 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 19 +ATOM 30196 O O . GLU A 1 88 ? -3.240 -10.947 3.804 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 19 +ATOM 30197 C CB . GLU A 1 88 ? -6.071 -10.516 5.644 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 19 +ATOM 30198 C CG . GLU A 1 88 ? -6.727 -10.576 4.273 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 19 +ATOM 30199 C CD . GLU A 1 88 ? -7.136 -11.976 3.898 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 19 +ATOM 30200 O OE1 . GLU A 1 88 ? -6.287 -12.779 3.448 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 19 +ATOM 30201 O OE2 . GLU A 1 88 ? -8.319 -12.319 4.078 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 19 +ATOM 30202 H H . GLU A 1 88 ? -4.805 -10.849 7.825 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 19 +ATOM 30203 H HA . GLU A 1 88 ? -4.772 -12.191 5.370 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 19 +ATOM 30204 H HB2 . GLU A 1 88 ? -6.722 -11.019 6.343 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 19 +ATOM 30205 H HB3 . GLU A 1 88 ? -5.982 -9.478 5.934 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 19 +ATOM 30206 H HG2 . GLU A 1 88 ? -7.606 -9.949 4.278 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 19 +ATOM 30207 H HG3 . GLU A 1 88 ? -6.026 -10.210 3.537 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 19 +ATOM 30208 N N . VAL A 1 89 ? -3.384 -9.205 5.184 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 19 +ATOM 30209 C CA . VAL A 1 89 ? -2.526 -8.392 4.351 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 19 +ATOM 30210 C C . VAL A 1 89 ? -1.066 -8.785 4.488 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 19 +ATOM 30211 O O . VAL A 1 89 ? -0.313 -8.706 3.530 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 19 +ATOM 30212 C CB . VAL A 1 89 ? -2.708 -6.869 4.595 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 19 +ATOM 30213 C CG1 . VAL A 1 89 ? -4.110 -6.427 4.192 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 19 +ATOM 30214 C CG2 . VAL A 1 89 ? -2.431 -6.505 6.050 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 19 +ATOM 30215 H H . VAL A 1 89 ? -3.723 -8.864 6.035 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 19 +ATOM 30216 H HA . VAL A 1 89 ? -2.813 -8.604 3.330 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 19 +ATOM 30217 H HB . VAL A 1 89 ? -2.000 -6.346 3.968 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 19 +ATOM 30218 H HG11 . VAL A 1 89 ? -4.214 -5.366 4.365 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 19 +ATOM 30219 H HG12 . VAL A 1 89 ? -4.839 -6.964 4.780 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 19 +ATOM 30220 H HG13 . VAL A 1 89 ? -4.270 -6.638 3.144 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 19 +ATOM 30221 H HG21 . VAL A 1 89 ? -3.118 -7.042 6.688 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 19 +ATOM 30222 H HG22 . VAL A 1 89 ? -2.567 -5.443 6.191 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 19 +ATOM 30223 H HG23 . VAL A 1 89 ? -1.417 -6.777 6.304 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 19 +ATOM 30224 N N . TYR A 1 90 ? -0.681 -9.261 5.662 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 19 +ATOM 30225 C CA . TYR A 1 90 ? 0.714 -9.606 5.907 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 19 +ATOM 30226 C C . TYR A 1 90 ? 1.089 -10.899 5.207 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 19 +ATOM 30227 O O . TYR A 1 90 ? 2.132 -10.974 4.549 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 19 +ATOM 30228 C CB . TYR A 1 90 ? 1.035 -9.714 7.402 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 19 +ATOM 30229 C CG . TYR A 1 90 ? 0.807 -8.453 8.226 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 19 +ATOM 30230 C CD1 . TYR A 1 90 ? 0.924 -7.185 7.670 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 19 +ATOM 30231 C CD2 . TYR A 1 90 ? 0.499 -8.542 9.578 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 19 +ATOM 30232 C CE1 . TYR A 1 90 ? 0.736 -6.051 8.436 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 19 +ATOM 30233 C CE2 . TYR A 1 90 ? 0.307 -7.410 10.347 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 19 +ATOM 30234 C CZ . TYR A 1 90 ? 0.427 -6.169 9.770 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 19 +ATOM 30235 O OH . TYR A 1 90 ? 0.248 -5.031 10.541 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 19 +ATOM 30236 H H . TYR A 1 90 ? -1.351 -9.389 6.365 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 19 +ATOM 30237 H HA . TYR A 1 90 ? 1.318 -8.818 5.479 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 19 +ATOM 30238 H HB2 . TYR A 1 90 ? 0.434 -10.503 7.820 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 19 +ATOM 30239 H HB3 . TYR A 1 90 ? 2.071 -9.995 7.501 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 19 +ATOM 30240 H HD1 . TYR A 1 90 ? 1.162 -7.087 6.621 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 19 +ATOM 30241 H HD2 . TYR A 1 90 ? 0.407 -9.519 10.029 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 19 +ATOM 30242 H HE1 . TYR A 1 90 ? 0.831 -5.075 7.982 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 19 +ATOM 30243 H HE2 . TYR A 1 90 ? 0.063 -7.503 11.395 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 19 +ATOM 30244 H HH . TYR A 1 90 ? 0.738 -5.187 11.359 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 19 +ATOM 30245 N N . SER A 1 91 ? 0.226 -11.900 5.323 1.00 0.00 ? ? ? ? ? ? 88 SER A N 19 +ATOM 30246 C CA . SER A 1 91 ? 0.458 -13.188 4.716 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 19 +ATOM 30247 C C . SER A 1 91 ? 0.468 -13.067 3.202 1.00 0.00 ? ? ? ? ? ? 88 SER A C 19 +ATOM 30248 O O . SER A 1 91 ? 1.309 -13.667 2.538 1.00 0.00 ? ? ? ? ? ? 88 SER A O 19 +ATOM 30249 C CB . SER A 1 91 ? -0.591 -14.191 5.186 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 19 +ATOM 30250 O OG . SER A 1 91 ? -0.594 -14.267 6.609 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 19 +ATOM 30251 H H . SER A 1 91 ? -0.608 -11.782 5.832 1.00 0.00 ? ? ? ? ? ? 88 SER A H 19 +ATOM 30252 H HA . SER A 1 91 ? 1.431 -13.527 5.039 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 19 +ATOM 30253 H HB2 . SER A 1 91 ? -1.568 -13.877 4.848 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 19 +ATOM 30254 H HB3 . SER A 1 91 ? -0.361 -15.167 4.786 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 19 +ATOM 30255 H HG . SER A 1 91 ? 0.228 -13.850 6.895 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 19 +ATOM 30256 N N . GLU A 1 92 ? -0.433 -12.255 2.662 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 19 +ATOM 30257 C CA . GLU A 1 92 ? -0.455 -12.032 1.240 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 19 +ATOM 30258 C C . GLU A 1 92 ? 0.828 -11.322 0.822 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 19 +ATOM 30259 O O . GLU A 1 92 ? 1.501 -11.757 -0.096 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 19 +ATOM 30260 C CB . GLU A 1 92 ? -1.677 -11.204 0.826 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 19 +ATOM 30261 C CG . GLU A 1 92 ? -1.810 -11.024 -0.683 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 19 +ATOM 30262 C CD . GLU A 1 92 ? -2.023 -12.338 -1.409 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 19 +ATOM 30263 O OE1 . GLU A 1 92 ? -1.049 -13.077 -1.669 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 19 +ATOM 30264 O OE2 . GLU A 1 92 ? -3.180 -12.670 -1.722 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 19 +ATOM 30265 H H . GLU A 1 92 ? -1.100 -11.813 3.230 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 19 +ATOM 30266 H HA . GLU A 1 92 ? -0.495 -12.996 0.754 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 19 +ATOM 30267 H HB2 . GLU A 1 92 ? -2.569 -11.693 1.187 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 19 +ATOM 30268 H HB3 . GLU A 1 92 ? -1.601 -10.228 1.280 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 19 +ATOM 30269 H HG2 . GLU A 1 92 ? -2.652 -10.380 -0.885 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 19 +ATOM 30270 H HG3 . GLU A 1 92 ? -0.907 -10.563 -1.057 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 19 +ATOM 30271 N N . ALA A 1 93 ? 1.187 -10.267 1.562 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 19 +ATOM 30272 C CA . ALA A 1 93 ? 2.366 -9.455 1.266 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 19 +ATOM 30273 C C . ALA A 1 93 ? 3.636 -10.286 1.190 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 19 +ATOM 30274 O O . ALA A 1 93 ? 4.381 -10.197 0.211 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 19 +ATOM 30275 C CB . ALA A 1 93 ? 2.527 -8.330 2.276 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 19 +ATOM 30276 H H . ALA A 1 93 ? 0.632 -10.023 2.336 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 19 +ATOM 30277 H HA . ALA A 1 93 ? 2.199 -9.010 0.297 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 19 +ATOM 30278 H HB1 . ALA A 1 93 ? 2.734 -8.750 3.250 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 19 +ATOM 30279 H HB2 . ALA A 1 93 ? 1.615 -7.753 2.321 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 19 +ATOM 30280 H HB3 . ALA A 1 93 ? 3.345 -7.692 1.978 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 19 +ATOM 30281 N N . VAL A 1 94 ? 3.864 -11.119 2.195 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 19 +ATOM 30282 C CA . VAL A 1 94 ? 5.054 -11.951 2.222 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 19 +ATOM 30283 C C . VAL A 1 94 ? 5.010 -13.012 1.099 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 19 +ATOM 30284 O O . VAL A 1 94 ? 6.044 -13.396 0.553 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 19 +ATOM 30285 C CB . VAL A 1 94 ? 5.305 -12.589 3.635 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 19 +ATOM 30286 C CG1 . VAL A 1 94 ? 4.190 -13.528 4.056 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 19 +ATOM 30287 C CG2 . VAL A 1 94 ? 6.654 -13.286 3.705 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 19 +ATOM 30288 H H . VAL A 1 94 ? 3.216 -11.165 2.933 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 19 +ATOM 30289 H HA . VAL A 1 94 ? 5.878 -11.290 1.988 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 19 +ATOM 30290 H HB . VAL A 1 94 ? 5.313 -11.777 4.348 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 19 +ATOM 30291 H HG11 . VAL A 1 94 ? 3.255 -12.986 4.077 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 19 +ATOM 30292 H HG12 . VAL A 1 94 ? 4.399 -13.922 5.039 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 19 +ATOM 30293 H HG13 . VAL A 1 94 ? 4.117 -14.342 3.349 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 19 +ATOM 30294 H HG21 . VAL A 1 94 ? 6.682 -14.083 2.978 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 19 +ATOM 30295 H HG22 . VAL A 1 94 ? 6.802 -13.692 4.693 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 19 +ATOM 30296 H HG23 . VAL A 1 94 ? 7.436 -12.574 3.487 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 19 +ATOM 30297 N N . LYS A 1 95 ? 3.810 -13.449 0.739 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 19 +ATOM 30298 C CA . LYS A 1 95 ? 3.620 -14.397 -0.358 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 19 +ATOM 30299 C C . LYS A 1 95 ? 3.717 -13.747 -1.750 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 19 +ATOM 30300 O O . LYS A 1 95 ? 3.740 -14.455 -2.754 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 19 +ATOM 30301 C CB . LYS A 1 95 ? 2.311 -15.206 -0.226 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 19 +ATOM 30302 C CG . LYS A 1 95 ? 2.409 -16.530 0.557 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 19 +ATOM 30303 C CD . LYS A 1 95 ? 2.909 -16.362 1.984 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 19 +ATOM 30304 C CE . LYS A 1 95 ? 2.886 -17.684 2.743 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 19 +ATOM 30305 N NZ . LYS A 1 95 ? 3.739 -18.718 2.112 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 19 +ATOM 30306 H H . LYS A 1 95 ? 3.015 -13.128 1.221 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 19 +ATOM 30307 H HA . LYS A 1 95 ? 4.445 -15.086 -0.282 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 19 +ATOM 30308 H HB2 . LYS A 1 95 ? 1.573 -14.587 0.263 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 19 +ATOM 30309 H HB3 . LYS A 1 95 ? 1.960 -15.433 -1.220 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 19 +ATOM 30310 H HG2 . LYS A 1 95 ? 1.429 -16.980 0.594 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 19 +ATOM 30311 H HG3 . LYS A 1 95 ? 3.078 -17.187 0.022 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 19 +ATOM 30312 H HD2 . LYS A 1 95 ? 3.925 -15.994 1.953 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 19 +ATOM 30313 H HD3 . LYS A 1 95 ? 2.279 -15.649 2.495 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 19 +ATOM 30314 H HE2 . LYS A 1 95 ? 3.243 -17.513 3.748 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 19 +ATOM 30315 H HE3 . LYS A 1 95 ? 1.870 -18.046 2.784 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 19 +ATOM 30316 H HZ1 . LYS A 1 95 ? 3.443 -18.905 1.132 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 19 +ATOM 30317 H HZ2 . LYS A 1 95 ? 3.655 -19.621 2.619 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 19 +ATOM 30318 H HZ3 . LYS A 1 95 ? 4.745 -18.449 2.103 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 19 +ATOM 30319 N N . ARG A 1 96 ? 3.725 -12.418 -1.821 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 19 +ATOM 30320 C CA . ARG A 1 96 ? 3.800 -11.727 -3.122 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 19 +ATOM 30321 C C . ARG A 1 96 ? 5.239 -11.521 -3.560 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 19 +ATOM 30322 O O . ARG A 1 96 ? 5.502 -11.205 -4.725 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 19 +ATOM 30323 C CB . ARG A 1 96 ? 3.113 -10.340 -3.098 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 19 +ATOM 30324 C CG . ARG A 1 96 ? 1.630 -10.323 -2.751 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 19 +ATOM 30325 C CD . ARG A 1 96 ? 0.822 -11.214 -3.660 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 19 +ATOM 30326 N NE . ARG A 1 96 ? 0.908 -10.826 -5.062 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 19 +ATOM 30327 C CZ . ARG A 1 96 ? 1.059 -11.665 -6.084 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 19 +ATOM 30328 N NH1 . ARG A 1 96 ? 1.019 -12.985 -5.888 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 19 +ATOM 30329 N NH2 . ARG A 1 96 ? 1.232 -11.176 -7.294 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 19 +ATOM 30330 H H . ARG A 1 96 ? 3.668 -11.891 -0.994 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 19 +ATOM 30331 H HA . ARG A 1 96 ? 3.304 -12.342 -3.856 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 19 +ATOM 30332 H HB2 . ARG A 1 96 ? 3.622 -9.726 -2.370 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 19 +ATOM 30333 H HB3 . ARG A 1 96 ? 3.239 -9.886 -4.070 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 19 +ATOM 30334 H HG2 . ARG A 1 96 ? 1.504 -10.663 -1.734 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 19 +ATOM 30335 H HG3 . ARG A 1 96 ? 1.265 -9.310 -2.836 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 19 +ATOM 30336 H HD2 . ARG A 1 96 ? 1.209 -12.215 -3.560 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 19 +ATOM 30337 H HD3 . ARG A 1 96 ? -0.208 -11.182 -3.337 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 19 +ATOM 30338 H HE . ARG A 1 96 ? 0.862 -9.856 -5.255 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 19 +ATOM 30339 H HH11 . ARG A 1 96 ? 0.874 -13.391 -4.981 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 19 +ATOM 30340 H HH12 . ARG A 1 96 ? 1.127 -13.635 -6.646 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 19 +ATOM 30341 H HH21 . ARG A 1 96 ? 1.252 -10.169 -7.405 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 19 +ATOM 30342 H HH22 . ARG A 1 96 ? 1.353 -11.737 -8.117 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 19 +ATOM 30343 N N . ILE A 1 97 ? 6.166 -11.664 -2.635 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 19 +ATOM 30344 C CA . ILE A 1 97 ? 7.556 -11.376 -2.926 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 19 +ATOM 30345 C C . ILE A 1 97 ? 8.443 -12.546 -2.524 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 19 +ATOM 30346 O O . ILE A 1 97 ? 8.764 -12.718 -1.337 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 19 +ATOM 30347 C CB . ILE A 1 97 ? 8.035 -10.098 -2.183 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 19 +ATOM 30348 C CG1 . ILE A 1 97 ? 7.085 -8.929 -2.471 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 19 +ATOM 30349 C CG2 . ILE A 1 97 ? 9.463 -9.734 -2.616 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 19 +ATOM 30350 C CD1 . ILE A 1 97 ? 7.355 -7.709 -1.638 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 19 +ATOM 30351 H H . ILE A 1 97 ? 5.918 -11.983 -1.743 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 19 +ATOM 30352 H HA . ILE A 1 97 ? 7.646 -11.206 -3.988 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 19 +ATOM 30353 H HB . ILE A 1 97 ? 8.038 -10.298 -1.121 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 19 +ATOM 30354 H HG12 . ILE A 1 97 ? 7.182 -8.643 -3.509 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 19 +ATOM 30355 H HG13 . ILE A 1 97 ? 6.069 -9.244 -2.286 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 19 +ATOM 30356 H HG21 . ILE A 1 97 ? 9.477 -9.541 -3.678 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 19 +ATOM 30357 H HG22 . ILE A 1 97 ? 10.130 -10.553 -2.391 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 19 +ATOM 30358 H HG23 . ILE A 1 97 ? 9.785 -8.850 -2.084 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 19 +ATOM 30359 H HD11 . ILE A 1 97 ? 7.248 -7.960 -0.594 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 19 +ATOM 30360 H HD12 . ILE A 1 97 ? 6.656 -6.929 -1.900 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 19 +ATOM 30361 H HD13 . ILE A 1 97 ? 8.363 -7.368 -1.824 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 19 +ATOM 30362 N N . LEU A 1 98 ? 8.804 -13.341 -3.493 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 19 +ATOM 30363 C CA . LEU A 1 98 ? 9.673 -14.472 -3.315 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 19 +ATOM 30364 C C . LEU A 1 98 ? 9.973 -15.035 -4.679 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 19 +ATOM 30365 O O . LEU A 1 98 ? 11.129 -14.938 -5.128 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 19 +ATOM 30366 C CB . LEU A 1 98 ? 9.050 -15.554 -2.426 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 19 +ATOM 30367 C CG . LEU A 1 98 ? 9.971 -16.723 -2.052 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 19 +ATOM 30368 C CD1 . LEU A 1 98 ? 11.151 -16.239 -1.220 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 19 +ATOM 30369 C CD2 . LEU A 1 98 ? 9.201 -17.796 -1.309 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 19 +ATOM 30370 O OXT . LEU A 1 98 ? 9.020 -15.509 -5.351 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 19 +ATOM 30371 H H . LEU A 1 98 ? 8.496 -13.170 -4.412 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 19 +ATOM 30372 H HA . LEU A 1 98 ? 10.591 -14.116 -2.872 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 19 +ATOM 30373 H HB2 . LEU A 1 98 ? 8.698 -15.080 -1.521 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 19 +ATOM 30374 H HB3 . LEU A 1 98 ? 8.196 -15.954 -2.952 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 19 +ATOM 30375 H HG . LEU A 1 98 ? 10.367 -17.155 -2.960 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 19 +ATOM 30376 H HD11 . LEU A 1 98 ? 10.787 -15.750 -0.329 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 19 +ATOM 30377 H HD12 . LEU A 1 98 ? 11.749 -15.547 -1.794 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 19 +ATOM 30378 H HD13 . LEU A 1 98 ? 11.759 -17.086 -0.937 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 19 +ATOM 30379 H HD21 . LEU A 1 98 ? 8.810 -17.385 -0.390 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 19 +ATOM 30380 H HD22 . LEU A 1 98 ? 9.868 -18.616 -1.086 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 19 +ATOM 30381 H HD23 . LEU A 1 98 ? 8.387 -18.150 -1.923 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 19 +ATOM 30382 N N . MET A 1 4 ? 10.970 15.873 -3.030 1.00 0.00 ? ? ? ? ? ? 1 MET A N 20 +ATOM 30383 C CA . MET A 1 4 ? 10.995 14.737 -3.949 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 20 +ATOM 30384 C C . MET A 1 4 ? 9.745 13.906 -3.722 1.00 0.00 ? ? ? ? ? ? 1 MET A C 20 +ATOM 30385 O O . MET A 1 4 ? 9.167 13.941 -2.628 1.00 0.00 ? ? ? ? ? ? 1 MET A O 20 +ATOM 30386 C CB . MET A 1 4 ? 12.263 13.902 -3.689 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 20 +ATOM 30387 C CG . MET A 1 4 ? 12.493 12.740 -4.639 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 20 +ATOM 30388 S SD . MET A 1 4 ? 14.013 11.850 -4.259 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 20 +ATOM 30389 C CE . MET A 1 4 ? 13.996 10.589 -5.531 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 20 +ATOM 30390 H H . MET A 1 4 ? 10.121 16.444 -3.199 1.00 0.00 ? ? ? ? ? ? 1 MET A H 20 +ATOM 30391 H HA . MET A 1 4 ? 11.000 15.106 -4.964 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 20 +ATOM 30392 H HB2 . MET A 1 4 ? 13.124 14.552 -3.756 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 20 +ATOM 30393 H HB3 . MET A 1 4 ? 12.210 13.510 -2.684 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 20 +ATOM 30394 H HG2 . MET A 1 4 ? 11.660 12.056 -4.570 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 20 +ATOM 30395 H HG3 . MET A 1 4 ? 12.564 13.122 -5.647 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 20 +ATOM 30396 H HE1 . MET A 1 4 ? 13.116 9.974 -5.415 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 20 +ATOM 30397 H HE2 . MET A 1 4 ? 14.878 9.971 -5.449 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 20 +ATOM 30398 H HE3 . MET A 1 4 ? 13.976 11.057 -6.503 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 20 +ATOM 30399 N N . ALA A 1 5 ? 9.300 13.216 -4.740 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 20 +ATOM 30400 C CA . ALA A 1 5 ? 8.156 12.356 -4.647 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 20 +ATOM 30401 C C . ALA A 1 5 ? 8.512 10.989 -5.200 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 20 +ATOM 30402 O O . ALA A 1 5 ? 9.537 10.829 -5.884 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 20 +ATOM 30403 C CB . ALA A 1 5 ? 6.979 12.956 -5.409 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 20 +ATOM 30404 H H . ALA A 1 5 ? 9.755 13.266 -5.611 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 20 +ATOM 30405 H HA . ALA A 1 5 ? 7.885 12.261 -3.606 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 20 +ATOM 30406 H HB1 . ALA A 1 5 ? 6.119 12.309 -5.314 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 20 +ATOM 30407 H HB2 . ALA A 1 5 ? 7.239 13.055 -6.452 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 20 +ATOM 30408 H HB3 . ALA A 1 5 ? 6.746 13.930 -5.005 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 20 +ATOM 30409 N N . TYR A 1 6 ? 7.702 10.019 -4.898 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 20 +ATOM 30410 C CA . TYR A 1 6 ? 7.898 8.668 -5.370 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 20 +ATOM 30411 C C . TYR A 1 6 ? 6.745 8.290 -6.273 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 20 +ATOM 30412 O O . TYR A 1 6 ? 5.720 8.969 -6.285 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 20 +ATOM 30413 C CB . TYR A 1 6 ? 7.994 7.676 -4.191 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 20 +ATOM 30414 C CG . TYR A 1 6 ? 9.242 7.804 -3.328 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 20 +ATOM 30415 C CD1 . TYR A 1 6 ? 9.425 8.877 -2.464 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 20 +ATOM 30416 C CD2 . TYR A 1 6 ? 10.235 6.836 -3.380 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 20 +ATOM 30417 C CE1 . TYR A 1 6 ? 10.559 8.982 -1.682 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 20 +ATOM 30418 C CE2 . TYR A 1 6 ? 11.371 6.933 -2.599 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 20 +ATOM 30419 C CZ . TYR A 1 6 ? 11.527 8.007 -1.753 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 20 +ATOM 30420 O OH . TYR A 1 6 ? 12.654 8.102 -0.972 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 20 +ATOM 30421 H H . TYR A 1 6 ? 6.915 10.208 -4.345 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 20 +ATOM 30422 H HA . TYR A 1 6 ? 8.817 8.638 -5.935 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 20 +ATOM 30423 H HB2 . TYR A 1 6 ? 7.140 7.813 -3.545 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 20 +ATOM 30424 H HB3 . TYR A 1 6 ? 7.964 6.673 -4.588 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 20 +ATOM 30425 H HD1 . TYR A 1 6 ? 8.664 9.642 -2.411 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 20 +ATOM 30426 H HD2 . TYR A 1 6 ? 10.113 5.993 -4.044 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 20 +ATOM 30427 H HE1 . TYR A 1 6 ? 10.682 9.825 -1.017 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 20 +ATOM 30428 H HE2 . TYR A 1 6 ? 12.132 6.168 -2.656 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 20 +ATOM 30429 H HH . TYR A 1 6 ? 13.388 8.043 -1.597 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 20 +ATOM 30430 N N . PHE A 1 7 ? 6.918 7.242 -7.036 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 20 +ATOM 30431 C CA . PHE A 1 7 ? 5.864 6.746 -7.901 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 20 +ATOM 30432 C C . PHE A 1 7 ? 4.994 5.778 -7.108 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 20 +ATOM 30433 O O . PHE A 1 7 ? 5.408 5.314 -6.057 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 20 +ATOM 30434 C CB . PHE A 1 7 ? 6.463 6.055 -9.135 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 20 +ATOM 30435 C CG . PHE A 1 7 ? 7.254 6.974 -10.028 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 20 +ATOM 30436 C CD1 . PHE A 1 7 ? 6.632 7.680 -11.043 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 20 +ATOM 30437 C CD2 . PHE A 1 7 ? 8.619 7.132 -9.852 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 20 +ATOM 30438 C CE1 . PHE A 1 7 ? 7.355 8.527 -11.863 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 20 +ATOM 30439 C CE2 . PHE A 1 7 ? 9.346 7.977 -10.665 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 20 +ATOM 30440 C CZ . PHE A 1 7 ? 8.715 8.674 -11.674 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 20 +ATOM 30441 H H . PHE A 1 7 ? 7.780 6.769 -7.010 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 20 +ATOM 30442 H HA . PHE A 1 7 ? 5.262 7.587 -8.213 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 20 +ATOM 30443 H HB2 . PHE A 1 7 ? 7.131 5.276 -8.799 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 20 +ATOM 30444 H HB3 . PHE A 1 7 ? 5.671 5.611 -9.718 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 20 +ATOM 30445 H HD1 . PHE A 1 7 ? 5.569 7.564 -11.193 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 20 +ATOM 30446 H HD2 . PHE A 1 7 ? 9.117 6.586 -9.063 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 20 +ATOM 30447 H HE1 . PHE A 1 7 ? 6.858 9.072 -12.651 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 20 +ATOM 30448 H HE2 . PHE A 1 7 ? 10.410 8.090 -10.514 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 20 +ATOM 30449 H HZ . PHE A 1 7 ? 9.283 9.334 -12.312 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 20 +ATOM 30450 N N . LEU A 1 8 ? 3.803 5.504 -7.571 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 20 +ATOM 30451 C CA . LEU A 1 8 ? 2.907 4.600 -6.865 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 20 +ATOM 30452 C C . LEU A 1 8 ? 2.439 3.516 -7.834 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 20 +ATOM 30453 O O . LEU A 1 8 ? 1.859 3.836 -8.881 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 20 +ATOM 30454 C CB . LEU A 1 8 ? 1.701 5.407 -6.290 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 20 +ATOM 30455 C CG . LEU A 1 8 ? 0.803 4.745 -5.198 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 20 +ATOM 30456 C CD1 . LEU A 1 8 ? 0.055 3.521 -5.693 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 20 +ATOM 30457 C CD2 . LEU A 1 8 ? 1.612 4.398 -3.967 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 20 +ATOM 30458 H H . LEU A 1 8 ? 3.512 5.884 -8.427 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 20 +ATOM 30459 H HA . LEU A 1 8 ? 3.456 4.146 -6.053 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 20 +ATOM 30460 H HB2 . LEU A 1 8 ? 2.090 6.324 -5.875 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 20 +ATOM 30461 H HB3 . LEU A 1 8 ? 1.067 5.671 -7.125 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 20 +ATOM 30462 H HG . LEU A 1 8 ? 0.056 5.466 -4.900 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 20 +ATOM 30463 H HD11 . LEU A 1 8 ? -0.493 3.080 -4.873 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 20 +ATOM 30464 H HD12 . LEU A 1 8 ? 0.761 2.800 -6.078 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 20 +ATOM 30465 H HD13 . LEU A 1 8 ? -0.633 3.810 -6.474 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 20 +ATOM 30466 H HD21 . LEU A 1 8 ? 2.044 5.294 -3.546 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 20 +ATOM 30467 H HD22 . LEU A 1 8 ? 2.396 3.706 -4.237 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 20 +ATOM 30468 H HD23 . LEU A 1 8 ? 0.968 3.930 -3.238 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 20 +ATOM 30469 N N . ASP A 1 9 ? 2.665 2.260 -7.502 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 20 +ATOM 30470 C CA . ASP A 1 9 ? 2.223 1.158 -8.354 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 20 +ATOM 30471 C C . ASP A 1 9 ? 1.549 0.098 -7.476 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 20 +ATOM 30472 O O . ASP A 1 9 ? 1.649 0.154 -6.246 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 20 +ATOM 30473 C CB . ASP A 1 9 ? 3.404 0.548 -9.139 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 20 +ATOM 30474 C CG . ASP A 1 9 ? 2.972 -0.193 -10.405 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 20 +ATOM 30475 O OD1 . ASP A 1 9 ? 2.362 -1.263 -10.324 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 20 +ATOM 30476 O OD2 . ASP A 1 9 ? 3.245 0.310 -11.520 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 20 +ATOM 30477 H H . ASP A 1 9 ? 3.120 2.047 -6.653 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 20 +ATOM 30478 H HA . ASP A 1 9 ? 1.488 1.551 -9.041 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 20 +ATOM 30479 H HB2 . ASP A 1 9 ? 4.081 1.338 -9.428 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 20 +ATOM 30480 H HB3 . ASP A 1 9 ? 3.927 -0.147 -8.498 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 20 +ATOM 30481 N N . PHE A 1 10 ? 0.899 -0.858 -8.088 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 20 +ATOM 30482 C CA . PHE A 1 10 ? 0.138 -1.871 -7.381 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 20 +ATOM 30483 C C . PHE A 1 10 ? 0.500 -3.233 -7.920 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 20 +ATOM 30484 O O . PHE A 1 10 ? 0.618 -3.400 -9.134 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 20 +ATOM 30485 C CB . PHE A 1 10 ? -1.386 -1.691 -7.607 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 20 +ATOM 30486 C CG . PHE A 1 10 ? -1.985 -0.374 -7.187 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 20 +ATOM 30487 C CD1 . PHE A 1 10 ? -2.065 0.685 -8.081 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 20 +ATOM 30488 C CD2 . PHE A 1 10 ? -2.491 -0.205 -5.912 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 20 +ATOM 30489 C CE1 . PHE A 1 10 ? -2.633 1.884 -7.706 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 20 +ATOM 30490 C CE2 . PHE A 1 10 ? -3.064 0.992 -5.532 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 20 +ATOM 30491 C CZ . PHE A 1 10 ? -3.134 2.039 -6.430 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 20 +ATOM 30492 H H . PHE A 1 10 ? 0.997 -0.939 -9.064 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 20 +ATOM 30493 H HA . PHE A 1 10 ? 0.345 -1.812 -6.324 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 20 +ATOM 30494 H HB2 . PHE A 1 10 ? -1.602 -1.814 -8.658 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 20 +ATOM 30495 H HB3 . PHE A 1 10 ? -1.900 -2.474 -7.069 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 20 +ATOM 30496 H HD1 . PHE A 1 10 ? -1.673 0.563 -9.080 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 20 +ATOM 30497 H HD2 . PHE A 1 10 ? -2.436 -1.021 -5.207 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 20 +ATOM 30498 H HE1 . PHE A 1 10 ? -2.685 2.701 -8.411 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 20 +ATOM 30499 H HE2 . PHE A 1 10 ? -3.457 1.111 -4.533 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 20 +ATOM 30500 H HZ . PHE A 1 10 ? -3.583 2.977 -6.138 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 20 +ATOM 30501 N N . ASP A 1 11 ? 0.682 -4.200 -7.039 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 20 +ATOM 30502 C CA . ASP A 1 11 ? 0.849 -5.598 -7.448 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 20 +ATOM 30503 C C . ASP A 1 11 ? -0.393 -6.027 -8.197 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 20 +ATOM 30504 O O . ASP A 1 11 ? -1.467 -5.427 -7.999 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 20 +ATOM 30505 C CB . ASP A 1 11 ? 1.068 -6.532 -6.237 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 20 +ATOM 30506 C CG . ASP A 1 11 ? 1.170 -8.004 -6.632 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 20 +ATOM 30507 O OD1 . ASP A 1 11 ? 2.256 -8.460 -7.047 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 20 +ATOM 30508 O OD2 . ASP A 1 11 ? 0.162 -8.732 -6.536 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 20 +ATOM 30509 H H . ASP A 1 11 ? 0.719 -3.984 -6.080 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 20 +ATOM 30510 H HA . ASP A 1 11 ? 1.700 -5.653 -8.111 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 20 +ATOM 30511 H HB2 . ASP A 1 11 ? 1.984 -6.251 -5.736 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 20 +ATOM 30512 H HB3 . ASP A 1 11 ? 0.241 -6.418 -5.551 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 20 +ATOM 30513 N N . GLU A 1 12 ? -0.269 -7.028 -9.052 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 20 +ATOM 30514 C CA . GLU A 1 12 ? -1.389 -7.501 -9.825 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 20 +ATOM 30515 C C . GLU A 1 12 ? -2.588 -7.824 -8.928 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 20 +ATOM 30516 O O . GLU A 1 12 ? -3.686 -7.416 -9.238 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 20 +ATOM 30517 C CB . GLU A 1 12 ? -1.015 -8.705 -10.691 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 20 +ATOM 30518 C CG . GLU A 1 12 ? -0.376 -9.850 -9.928 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 20 +ATOM 30519 C CD . GLU A 1 12 ? -0.304 -11.101 -10.739 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 20 +ATOM 30520 O OE1 . GLU A 1 12 ? 0.487 -11.173 -11.692 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 20 +ATOM 30521 O OE2 . GLU A 1 12 ? -1.046 -12.052 -10.435 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 20 +ATOM 30522 H H . GLU A 1 12 ? 0.607 -7.459 -9.154 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 20 +ATOM 30523 H HA . GLU A 1 12 ? -1.677 -6.686 -10.473 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 20 +ATOM 30524 H HB2 . GLU A 1 12 ? -1.906 -9.081 -11.171 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 20 +ATOM 30525 H HB3 . GLU A 1 12 ? -0.321 -8.379 -11.452 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 20 +ATOM 30526 H HG2 . GLU A 1 12 ? 0.624 -9.565 -9.632 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 20 +ATOM 30527 H HG3 . GLU A 1 12 ? -0.973 -10.040 -9.048 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 20 +ATOM 30528 N N . ARG A 1 13 ? -2.351 -8.461 -7.775 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 20 +ATOM 30529 C CA . ARG A 1 13 ? -3.430 -8.775 -6.844 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 20 +ATOM 30530 C C . ARG A 1 13 ? -4.063 -7.519 -6.306 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 20 +ATOM 30531 O O . ARG A 1 13 ? -5.291 -7.373 -6.297 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 20 +ATOM 30532 C CB . ARG A 1 13 ? -2.924 -9.534 -5.659 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 20 +ATOM 30533 C CG . ARG A 1 13 ? -2.668 -11.004 -5.824 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 20 +ATOM 30534 C CD . ARG A 1 13 ? -2.268 -11.546 -4.469 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 20 +ATOM 30535 N NE . ARG A 1 13 ? -3.188 -11.025 -3.434 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 20 +ATOM 30536 C CZ . ARG A 1 13 ? -2.808 -10.477 -2.279 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 20 +ATOM 30537 N NH1 . ARG A 1 13 ? -1.593 -10.689 -1.807 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 20 +ATOM 30538 N NH2 . ARG A 1 13 ? -3.665 -9.736 -1.579 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 20 +ATOM 30539 H H . ARG A 1 13 ? -1.429 -8.706 -7.523 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 20 +ATOM 30540 H HA . ARG A 1 13 ? -4.170 -9.371 -7.353 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 20 +ATOM 30541 H HB2 . ARG A 1 13 ? -1.992 -9.084 -5.350 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 20 +ATOM 30542 H HB3 . ARG A 1 13 ? -3.635 -9.405 -4.856 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 20 +ATOM 30543 H HG2 . ARG A 1 13 ? -3.569 -11.491 -6.169 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 20 +ATOM 30544 H HG3 . ARG A 1 13 ? -1.861 -11.160 -6.524 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 20 +ATOM 30545 H HD2 . ARG A 1 13 ? -2.325 -12.622 -4.494 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 20 +ATOM 30546 H HD3 . ARG A 1 13 ? -1.263 -11.229 -4.237 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 20 +ATOM 30547 H HE . ARG A 1 13 ? -4.130 -11.003 -3.720 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 20 +ATOM 30548 H HH11 . ARG A 1 13 ? -0.935 -11.278 -2.289 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 20 +ATOM 30549 H HH12 . ARG A 1 13 ? -1.285 -10.263 -0.953 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 20 +ATOM 30550 H HH21 . ARG A 1 13 ? -4.614 -9.543 -1.878 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 20 +ATOM 30551 H HH22 . ARG A 1 13 ? -3.394 -9.326 -0.706 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 20 +ATOM 30552 N N . ALA A 1 14 ? -3.210 -6.612 -5.868 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 20 +ATOM 30553 C CA . ALA A 1 14 ? -3.629 -5.372 -5.253 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 20 +ATOM 30554 C C . ALA A 1 14 ? -4.484 -4.557 -6.200 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 20 +ATOM 30555 O O . ALA A 1 14 ? -5.410 -3.899 -5.778 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 20 +ATOM 30556 C CB . ALA A 1 14 ? -2.424 -4.570 -4.791 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 20 +ATOM 30557 H H . ALA A 1 14 ? -2.253 -6.794 -5.985 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 20 +ATOM 30558 H HA . ALA A 1 14 ? -4.222 -5.623 -4.385 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 20 +ATOM 30559 H HB1 . ALA A 1 14 ? -1.823 -4.301 -5.648 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 20 +ATOM 30560 H HB2 . ALA A 1 14 ? -1.833 -5.162 -4.107 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 20 +ATOM 30561 H HB3 . ALA A 1 14 ? -2.758 -3.674 -4.290 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 20 +ATOM 30562 N N . LEU A 1 15 ? -4.188 -4.646 -7.482 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 20 +ATOM 30563 C CA . LEU A 1 15 ? -4.929 -3.914 -8.486 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 20 +ATOM 30564 C C . LEU A 1 15 ? -6.372 -4.439 -8.587 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 20 +ATOM 30565 O O . LEU A 1 15 ? -7.312 -3.654 -8.697 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 20 +ATOM 30566 C CB . LEU A 1 15 ? -4.230 -4.006 -9.837 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 20 +ATOM 30567 C CG . LEU A 1 15 ? -4.712 -3.036 -10.923 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 20 +ATOM 30568 C CD1 . LEU A 1 15 ? -4.507 -1.588 -10.496 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 20 +ATOM 30569 C CD2 . LEU A 1 15 ? -3.994 -3.304 -12.231 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 20 +ATOM 30570 H H . LEU A 1 15 ? -3.427 -5.209 -7.748 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 20 +ATOM 30571 H HA . LEU A 1 15 ? -4.958 -2.881 -8.174 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 20 +ATOM 30572 H HB2 . LEU A 1 15 ? -3.165 -3.903 -9.696 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 20 +ATOM 30573 H HB3 . LEU A 1 15 ? -4.422 -5.005 -10.196 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 20 +ATOM 30574 H HG . LEU A 1 15 ? -5.769 -3.188 -11.080 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 20 +ATOM 30575 H HD11 . LEU A 1 15 ? -4.829 -0.935 -11.293 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 20 +ATOM 30576 H HD12 . LEU A 1 15 ? -3.462 -1.417 -10.288 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 20 +ATOM 30577 H HD13 . LEU A 1 15 ? -5.091 -1.382 -9.611 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 20 +ATOM 30578 H HD21 . LEU A 1 15 ? -4.208 -4.311 -12.554 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 20 +ATOM 30579 H HD22 . LEU A 1 15 ? -2.930 -3.178 -12.095 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 20 +ATOM 30580 H HD23 . LEU A 1 15 ? -4.347 -2.609 -12.977 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 20 +ATOM 30581 N N . LYS A 1 16 ? -6.547 -5.763 -8.515 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 20 +ATOM 30582 C CA . LYS A 1 16 ? -7.895 -6.357 -8.553 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 20 +ATOM 30583 C C . LYS A 1 16 ? -8.672 -5.936 -7.329 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 20 +ATOM 30584 O O . LYS A 1 16 ? -9.843 -5.567 -7.415 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 20 +ATOM 30585 C CB . LYS A 1 16 ? -7.878 -7.906 -8.639 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 20 +ATOM 30586 C CG . LYS A 1 16 ? -7.559 -8.512 -10.011 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 20 +ATOM 30587 C CD . LYS A 1 16 ? -6.177 -8.169 -10.485 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 20 +ATOM 30588 C CE . LYS A 1 16 ? -5.807 -8.848 -11.793 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 20 +ATOM 30589 N NZ . LYS A 1 16 ? -5.732 -10.315 -11.677 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 20 +ATOM 30590 H H . LYS A 1 16 ? -5.762 -6.344 -8.413 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 20 +ATOM 30591 H HA . LYS A 1 16 ? -8.397 -5.957 -9.421 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 20 +ATOM 30592 H HB2 . LYS A 1 16 ? -7.140 -8.273 -7.943 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 20 +ATOM 30593 H HB3 . LYS A 1 16 ? -8.847 -8.269 -8.326 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 20 +ATOM 30594 H HG2 . LYS A 1 16 ? -7.648 -9.586 -9.949 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 20 +ATOM 30595 H HG3 . LYS A 1 16 ? -8.279 -8.135 -10.722 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 20 +ATOM 30596 H HD2 . LYS A 1 16 ? -6.116 -7.099 -10.613 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 20 +ATOM 30597 H HD3 . LYS A 1 16 ? -5.478 -8.469 -9.716 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 20 +ATOM 30598 H HE2 . LYS A 1 16 ? -6.547 -8.602 -12.539 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 20 +ATOM 30599 H HE3 . LYS A 1 16 ? -4.843 -8.478 -12.108 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 20 +ATOM 30600 H HZ1 . LYS A 1 16 ? -5.473 -10.721 -12.597 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 20 +ATOM 30601 H HZ2 . LYS A 1 16 ? -6.654 -10.711 -11.402 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 20 +ATOM 30602 H HZ3 . LYS A 1 16 ? -5.021 -10.610 -10.979 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 20 +ATOM 30603 N N . GLU A 1 17 ? -8.000 -5.951 -6.199 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 20 +ATOM 30604 C CA . GLU A 1 17 ? -8.602 -5.577 -4.944 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 20 +ATOM 30605 C C . GLU A 1 17 ? -8.920 -4.078 -4.893 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 20 +ATOM 30606 O O . GLU A 1 17 ? -9.919 -3.671 -4.335 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 20 +ATOM 30607 C CB . GLU A 1 17 ? -7.782 -6.074 -3.758 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 20 +ATOM 30608 C CG . GLU A 1 17 ? -7.647 -7.591 -3.779 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 20 +ATOM 30609 C CD . GLU A 1 17 ? -7.137 -8.198 -2.496 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 20 +ATOM 30610 O OE1 . GLU A 1 17 ? -7.891 -8.235 -1.506 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 20 +ATOM 30611 O OE2 . GLU A 1 17 ? -6.008 -8.735 -2.472 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 20 +ATOM 30612 H H . GLU A 1 17 ? -7.061 -6.241 -6.214 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 20 +ATOM 30613 H HA . GLU A 1 17 ? -9.553 -6.089 -4.942 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 20 +ATOM 30614 H HB2 . GLU A 1 17 ? -6.800 -5.624 -3.791 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 20 +ATOM 30615 H HB3 . GLU A 1 17 ? -8.274 -5.785 -2.842 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 20 +ATOM 30616 H HG2 . GLU A 1 17 ? -8.607 -8.023 -4.017 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 20 +ATOM 30617 H HG3 . GLU A 1 17 ? -6.960 -7.843 -4.574 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 20 +ATOM 30618 N N . TRP A 1 18 ? -8.069 -3.286 -5.492 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 20 +ATOM 30619 C CA . TRP A 1 18 ? -8.264 -1.842 -5.639 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 20 +ATOM 30620 C C . TRP A 1 18 ? -9.555 -1.558 -6.448 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 20 +ATOM 30621 O O . TRP A 1 18 ? -10.315 -0.617 -6.155 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 20 +ATOM 30622 C CB . TRP A 1 18 ? -7.021 -1.283 -6.349 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 20 +ATOM 30623 C CG . TRP A 1 18 ? -7.046 0.161 -6.694 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 20 +ATOM 30624 C CD1 . TRP A 1 18 ? -7.233 0.692 -7.936 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 20 +ATOM 30625 C CD2 . TRP A 1 18 ? -6.858 1.259 -5.799 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 20 +ATOM 30626 N NE1 . TRP A 1 18 ? -7.170 2.065 -7.868 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 20 +ATOM 30627 C CE2 . TRP A 1 18 ? -6.943 2.436 -6.563 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 20 +ATOM 30628 C CE3 . TRP A 1 18 ? -6.626 1.359 -4.422 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 20 +ATOM 30629 C CZ2 . TRP A 1 18 ? -6.802 3.702 -5.998 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 20 +ATOM 30630 C CZ3 . TRP A 1 18 ? -6.486 2.611 -3.864 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 20 +ATOM 30631 C CH2 . TRP A 1 18 ? -6.575 3.766 -4.649 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 20 +ATOM 30632 H H . TRP A 1 18 ? -7.235 -3.675 -5.837 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 20 +ATOM 30633 H HA . TRP A 1 18 ? -8.351 -1.399 -4.658 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 20 +ATOM 30634 H HB2 . TRP A 1 18 ? -6.158 -1.440 -5.719 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 20 +ATOM 30635 H HB3 . TRP A 1 18 ? -6.882 -1.843 -7.262 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 20 +ATOM 30636 H HD1 . TRP A 1 18 ? -7.396 0.085 -8.818 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 20 +ATOM 30637 H HE1 . TRP A 1 18 ? -7.265 2.685 -8.625 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 20 +ATOM 30638 H HE3 . TRP A 1 18 ? -6.556 0.476 -3.803 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 20 +ATOM 30639 H HZ2 . TRP A 1 18 ? -6.866 4.604 -6.589 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 20 +ATOM 30640 H HZ3 . TRP A 1 18 ? -6.308 2.708 -2.803 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 20 +ATOM 30641 H HH2 . TRP A 1 18 ? -6.456 4.722 -4.161 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 20 +ATOM 30642 N N . ARG A 1 19 ? -9.798 -2.386 -7.448 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 20 +ATOM 30643 C CA . ARG A 1 19 ? -11.007 -2.294 -8.258 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 20 +ATOM 30644 C C . ARG A 1 19 ? -12.205 -2.797 -7.453 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 20 +ATOM 30645 O O . ARG A 1 19 ? -13.316 -2.276 -7.571 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 20 +ATOM 30646 C CB . ARG A 1 19 ? -10.850 -3.102 -9.544 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 20 +ATOM 30647 C CG . ARG A 1 19 ? -9.744 -2.598 -10.449 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 20 +ATOM 30648 C CD . ARG A 1 19 ? -9.538 -3.514 -11.636 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 20 +ATOM 30649 N NE . ARG A 1 19 ? -8.475 -3.029 -12.517 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 20 +ATOM 30650 C CZ . ARG A 1 19 ? -7.780 -3.771 -13.390 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 20 +ATOM 30651 N NH1 . ARG A 1 19 ? -8.011 -5.067 -13.504 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 20 +ATOM 30652 N NH2 . ARG A 1 19 ? -6.853 -3.196 -14.147 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 20 +ATOM 30653 H H . ARG A 1 19 ? -9.126 -3.075 -7.647 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 20 +ATOM 30654 H HA . ARG A 1 19 ? -11.162 -1.254 -8.501 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 20 +ATOM 30655 H HB2 . ARG A 1 19 ? -10.636 -4.128 -9.285 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 20 +ATOM 30656 H HB3 . ARG A 1 19 ? -11.781 -3.065 -10.090 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 20 +ATOM 30657 H HG2 . ARG A 1 19 ? -10.008 -1.613 -10.804 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 20 +ATOM 30658 H HG3 . ARG A 1 19 ? -8.826 -2.543 -9.883 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 20 +ATOM 30659 H HD2 . ARG A 1 19 ? -9.265 -4.489 -11.265 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 20 +ATOM 30660 H HD3 . ARG A 1 19 ? -10.461 -3.570 -12.192 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 20 +ATOM 30661 H HE . ARG A 1 19 ? -8.283 -2.065 -12.443 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 20 +ATOM 30662 H HH11 . ARG A 1 19 ? -8.705 -5.549 -12.966 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 20 +ATOM 30663 H HH12 . ARG A 1 19 ? -7.488 -5.646 -14.138 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 20 +ATOM 30664 H HH21 . ARG A 1 19 ? -6.663 -2.213 -14.070 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 20 +ATOM 30665 H HH22 . ARG A 1 19 ? -6.325 -3.715 -14.826 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 20 +ATOM 30666 N N . LYS A 1 20 ? -11.948 -3.802 -6.627 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 20 +ATOM 30667 C CA . LYS A 1 20 ? -12.924 -4.389 -5.719 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 20 +ATOM 30668 C C . LYS A 1 20 ? -13.370 -3.366 -4.667 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 20 +ATOM 30669 O O . LYS A 1 20 ? -14.513 -3.381 -4.215 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 20 +ATOM 30670 C CB . LYS A 1 20 ? -12.297 -5.613 -5.045 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 20 +ATOM 30671 C CG . LYS A 1 20 ? -13.150 -6.262 -3.985 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 20 +ATOM 30672 C CD . LYS A 1 20 ? -12.443 -7.441 -3.361 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 20 +ATOM 30673 C CE . LYS A 1 20 ? -13.215 -7.960 -2.171 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 20 +ATOM 30674 N NZ . LYS A 1 20 ? -14.567 -8.437 -2.530 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 20 +ATOM 30675 H H . LYS A 1 20 ? -11.045 -4.187 -6.650 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 20 +ATOM 30676 H HA . LYS A 1 20 ? -13.795 -4.710 -6.268 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 20 +ATOM 30677 H HB2 . LYS A 1 20 ? -12.075 -6.354 -5.797 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 20 +ATOM 30678 H HB3 . LYS A 1 20 ? -11.375 -5.293 -4.585 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 20 +ATOM 30679 H HG2 . LYS A 1 20 ? -13.362 -5.533 -3.218 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 20 +ATOM 30680 H HG3 . LYS A 1 20 ? -14.075 -6.596 -4.431 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 20 +ATOM 30681 H HD2 . LYS A 1 20 ? -12.352 -8.230 -4.093 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 20 +ATOM 30682 H HD3 . LYS A 1 20 ? -11.460 -7.131 -3.036 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 20 +ATOM 30683 H HE2 . LYS A 1 20 ? -12.666 -8.764 -1.709 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 20 +ATOM 30684 H HE3 . LYS A 1 20 ? -13.312 -7.130 -1.488 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 20 +ATOM 30685 H HZ1 . LYS A 1 20 ? -15.062 -8.744 -1.670 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 20 +ATOM 30686 H HZ2 . LYS A 1 20 ? -14.513 -9.238 -3.190 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 20 +ATOM 30687 H HZ3 . LYS A 1 20 ? -15.124 -7.684 -2.980 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 20 +ATOM 30688 N N . LEU A 1 21 ? -12.465 -2.496 -4.288 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 20 +ATOM 30689 C CA . LEU A 1 21 ? -12.738 -1.448 -3.322 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 20 +ATOM 30690 C C . LEU A 1 21 ? -13.765 -0.460 -3.817 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 20 +ATOM 30691 O O . LEU A 1 21 ? -13.870 -0.190 -5.024 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 20 +ATOM 30692 C CB . LEU A 1 21 ? -11.467 -0.697 -2.947 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 20 +ATOM 30693 C CG . LEU A 1 21 ? -10.857 -1.023 -1.591 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 20 +ATOM 30694 C CD1 . LEU A 1 21 ? -10.486 -2.487 -1.470 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 20 +ATOM 30695 C CD2 . LEU A 1 21 ? -9.666 -0.137 -1.343 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 20 +ATOM 30696 H H . LEU A 1 21 ? -11.564 -2.571 -4.671 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 20 +ATOM 30697 H HA . LEU A 1 21 ? -13.120 -1.919 -2.428 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 20 +ATOM 30698 H HB2 . LEU A 1 21 ? -10.724 -0.894 -3.704 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 20 +ATOM 30699 H HB3 . LEU A 1 21 ? -11.693 0.359 -2.967 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 20 +ATOM 30700 H HG . LEU A 1 21 ? -11.587 -0.807 -0.828 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 20 +ATOM 30701 H HD11 . LEU A 1 21 ? -10.051 -2.670 -0.498 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 20 +ATOM 30702 H HD12 . LEU A 1 21 ? -9.782 -2.749 -2.245 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 20 +ATOM 30703 H HD13 . LEU A 1 21 ? -11.386 -3.074 -1.577 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 20 +ATOM 30704 H HD21 . LEU A 1 21 ? -10.000 0.891 -1.356 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 20 +ATOM 30705 H HD22 . LEU A 1 21 ? -8.929 -0.290 -2.116 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 20 +ATOM 30706 H HD23 . LEU A 1 21 ? -9.244 -0.365 -0.376 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 20 +ATOM 30707 N N . GLY A 1 22 ? -14.525 0.057 -2.878 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 20 +ATOM 30708 C CA . GLY A 1 22 ? -15.500 1.074 -3.180 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 20 +ATOM 30709 C C . GLY A 1 22 ? -14.803 2.379 -3.480 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 20 +ATOM 30710 O O . GLY A 1 22 ? -13.741 2.654 -2.892 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 20 +ATOM 30711 H H . GLY A 1 22 ? -14.399 -0.259 -1.960 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 20 +ATOM 30712 H HA2 . GLY A 1 22 ? -16.079 0.765 -4.040 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 20 +ATOM 30713 H HA3 . GLY A 1 22 ? -16.154 1.210 -2.332 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 20 +ATOM 30714 N N . SER A 1 23 ? -15.392 3.168 -4.354 1.00 0.00 ? ? ? ? ? ? 20 SER A N 20 +ATOM 30715 C CA . SER A 1 23 ? -14.826 4.415 -4.846 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 20 +ATOM 30716 C C . SER A 1 23 ? -14.367 5.340 -3.724 1.00 0.00 ? ? ? ? ? ? 20 SER A C 20 +ATOM 30717 O O . SER A 1 23 ? -13.216 5.714 -3.665 1.00 0.00 ? ? ? ? ? ? 20 SER A O 20 +ATOM 30718 C CB . SER A 1 23 ? -15.858 5.096 -5.726 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 20 +ATOM 30719 O OG . SER A 1 23 ? -17.122 5.103 -5.078 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 20 +ATOM 30720 H H . SER A 1 23 ? -16.280 2.928 -4.696 1.00 0.00 ? ? ? ? ? ? 20 SER A H 20 +ATOM 30721 H HA . SER A 1 23 ? -13.974 4.170 -5.464 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 20 +ATOM 30722 H HB2 . SER A 1 23 ? -15.554 6.114 -5.918 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 20 +ATOM 30723 H HB3 . SER A 1 23 ? -15.947 4.559 -6.657 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 20 +ATOM 30724 H HG . SER A 1 23 ? -17.687 5.730 -5.543 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 20 +ATOM 30725 N N . THR A 1 24 ? -15.259 5.638 -2.825 1.00 0.00 ? ? ? ? ? ? 21 THR A N 20 +ATOM 30726 C CA . THR A 1 24 ? -14.995 6.529 -1.718 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 20 +ATOM 30727 C C . THR A 1 24 ? -13.833 6.013 -0.845 1.00 0.00 ? ? ? ? ? ? 21 THR A C 20 +ATOM 30728 O O . THR A 1 24 ? -12.952 6.779 -0.455 1.00 0.00 ? ? ? ? ? ? 21 THR A O 20 +ATOM 30729 C CB . THR A 1 24 ? -16.274 6.699 -0.881 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 20 +ATOM 30730 O OG1 . THR A 1 24 ? -17.347 7.071 -1.765 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 20 +ATOM 30731 C CG2 . THR A 1 24 ? -16.104 7.789 0.165 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 20 +ATOM 30732 H H . THR A 1 24 ? -16.150 5.246 -2.929 1.00 0.00 ? ? ? ? ? ? 21 THR A H 20 +ATOM 30733 H HA . THR A 1 24 ? -14.722 7.490 -2.127 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 20 +ATOM 30734 H HB . THR A 1 24 ? -16.502 5.761 -0.398 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 20 +ATOM 30735 H HG1 . THR A 1 24 ? -18.161 7.056 -1.246 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 20 +ATOM 30736 H HG21 . THR A 1 24 ? -15.288 7.530 0.823 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 20 +ATOM 30737 H HG22 . THR A 1 24 ? -17.012 7.887 0.740 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 20 +ATOM 30738 H HG23 . THR A 1 24 ? -15.885 8.726 -0.325 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 20 +ATOM 30739 N N . VAL A 1 25 ? -13.797 4.709 -0.619 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 20 +ATOM 30740 C CA . VAL A 1 25 ? -12.770 4.111 0.215 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 20 +ATOM 30741 C C . VAL A 1 25 ? -11.419 4.215 -0.474 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 20 +ATOM 30742 O O . VAL A 1 25 ? -10.427 4.650 0.128 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 20 +ATOM 30743 C CB . VAL A 1 25 ? -13.076 2.625 0.524 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 20 +ATOM 30744 C CG1 . VAL A 1 25 ? -11.981 2.018 1.389 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 20 +ATOM 30745 C CG2 . VAL A 1 25 ? -14.427 2.485 1.206 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 20 +ATOM 30746 H H . VAL A 1 25 ? -14.465 4.136 -1.052 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 20 +ATOM 30747 H HA . VAL A 1 25 ? -12.726 4.662 1.144 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 20 +ATOM 30748 H HB . VAL A 1 25 ? -13.107 2.086 -0.413 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 20 +ATOM 30749 H HG11 . VAL A 1 25 ? -11.916 2.559 2.322 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 20 +ATOM 30750 H HG12 . VAL A 1 25 ? -11.036 2.082 0.872 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 20 +ATOM 30751 H HG13 . VAL A 1 25 ? -12.213 0.983 1.592 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 20 +ATOM 30752 H HG21 . VAL A 1 25 ? -14.624 1.441 1.404 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 20 +ATOM 30753 H HG22 . VAL A 1 25 ? -15.197 2.887 0.565 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 20 +ATOM 30754 H HG23 . VAL A 1 25 ? -14.414 3.031 2.137 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 20 +ATOM 30755 N N . ARG A 1 26 ? -11.395 3.860 -1.744 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 20 +ATOM 30756 C CA . ARG A 1 26 ? -10.175 3.924 -2.499 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 20 +ATOM 30757 C C . ARG A 1 26 ? -9.717 5.354 -2.709 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 20 +ATOM 30758 O O . ARG A 1 26 ? -8.537 5.598 -2.741 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 20 +ATOM 30759 C CB . ARG A 1 26 ? -10.215 3.156 -3.813 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 20 +ATOM 30760 C CG . ARG A 1 26 ? -11.308 3.559 -4.760 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 20 +ATOM 30761 C CD . ARG A 1 26 ? -11.023 3.023 -6.135 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 20 +ATOM 30762 N NE . ARG A 1 26 ? -12.057 3.387 -7.105 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 20 +ATOM 30763 C CZ . ARG A 1 26 ? -12.638 2.537 -7.964 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 20 +ATOM 30764 N NH1 . ARG A 1 26 ? -12.377 1.221 -7.905 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 20 +ATOM 30765 N NH2 . ARG A 1 26 ? -13.490 3.000 -8.870 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 20 +ATOM 30766 H H . ARG A 1 26 ? -12.229 3.555 -2.167 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 20 +ATOM 30767 H HA . ARG A 1 26 ? -9.432 3.467 -1.861 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 20 +ATOM 30768 H HB2 . ARG A 1 26 ? -9.272 3.300 -4.320 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 20 +ATOM 30769 H HB3 . ARG A 1 26 ? -10.325 2.103 -3.596 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 20 +ATOM 30770 H HG2 . ARG A 1 26 ? -12.217 3.099 -4.396 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 20 +ATOM 30771 H HG3 . ARG A 1 26 ? -11.451 4.631 -4.768 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 20 +ATOM 30772 H HD2 . ARG A 1 26 ? -10.077 3.447 -6.442 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 20 +ATOM 30773 H HD3 . ARG A 1 26 ? -10.937 1.947 -6.081 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 20 +ATOM 30774 H HE . ARG A 1 26 ? -12.287 4.347 -7.124 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 20 +ATOM 30775 H HH11 . ARG A 1 26 ? -11.749 0.824 -7.231 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 20 +ATOM 30776 H HH12 . ARG A 1 26 ? -12.815 0.580 -8.540 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 20 +ATOM 30777 H HH21 . ARG A 1 26 ? -13.715 3.979 -8.940 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 20 +ATOM 30778 H HH22 . ARG A 1 26 ? -13.946 2.396 -9.527 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 20 +ATOM 30779 N N . GLU A 1 27 ? -10.655 6.290 -2.875 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 20 +ATOM 30780 C CA . GLU A 1 27 ? -10.301 7.696 -3.018 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 20 +ATOM 30781 C C . GLU A 1 27 ? -9.534 8.192 -1.828 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 20 +ATOM 30782 O O . GLU A 1 27 ? -8.516 8.847 -1.993 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 20 +ATOM 30783 C CB . GLU A 1 27 ? -11.494 8.602 -3.236 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 20 +ATOM 30784 C CG . GLU A 1 27 ? -12.184 8.437 -4.559 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 20 +ATOM 30785 C CD . GLU A 1 27 ? -13.177 9.527 -4.784 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 20 +ATOM 30786 O OE1 . GLU A 1 27 ? -14.152 9.637 -4.015 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 20 +ATOM 30787 O OE2 . GLU A 1 27 ? -12.973 10.341 -5.712 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 20 +ATOM 30788 H H . GLU A 1 27 ? -11.603 6.029 -2.919 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 20 +ATOM 30789 H HA . GLU A 1 27 ? -9.653 7.768 -3.879 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 20 +ATOM 30790 H HB2 . GLU A 1 27 ? -12.218 8.388 -2.463 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 20 +ATOM 30791 H HB3 . GLU A 1 27 ? -11.175 9.629 -3.139 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 20 +ATOM 30792 H HG2 . GLU A 1 27 ? -11.447 8.467 -5.347 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 20 +ATOM 30793 H HG3 . GLU A 1 27 ? -12.698 7.488 -4.573 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 20 +ATOM 30794 N N . GLN A 1 28 ? -9.998 7.866 -0.631 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 20 +ATOM 30795 C CA . GLN A 1 28 ? -9.298 8.305 0.562 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 20 +ATOM 30796 C C . GLN A 1 28 ? -7.951 7.629 0.703 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 20 +ATOM 30797 O O . GLN A 1 28 ? -6.989 8.250 1.148 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 20 +ATOM 30798 C CB . GLN A 1 28 ? -10.135 8.222 1.842 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 20 +ATOM 30799 C CG . GLN A 1 28 ? -11.053 9.425 2.068 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 20 +ATOM 30800 C CD . GLN A 1 28 ? -12.188 9.552 1.078 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 20 +ATOM 30801 O OE1 . GLN A 1 28 ? -12.057 10.170 0.012 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 20 +ATOM 30802 N NE2 . GLN A 1 28 ? -13.314 9.010 1.431 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 20 +ATOM 30803 H H . GLN A 1 28 ? -10.817 7.324 -0.554 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 20 +ATOM 30804 H HA . GLN A 1 28 ? -9.071 9.344 0.368 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 20 +ATOM 30805 H HB2 . GLN A 1 28 ? -10.750 7.337 1.796 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 20 +ATOM 30806 H HB3 . GLN A 1 28 ? -9.468 8.144 2.687 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 20 +ATOM 30807 H HG2 . GLN A 1 28 ? -11.484 9.354 3.056 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 20 +ATOM 30808 H HG3 . GLN A 1 28 ? -10.450 10.320 2.015 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 20 +ATOM 30809 H HE21 . GLN A 1 28 ? -13.372 8.550 2.296 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 20 +ATOM 30810 H HE22 . GLN A 1 28 ? -14.074 9.102 0.823 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 20 +ATOM 30811 N N . LEU A 1 29 ? -7.870 6.374 0.296 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 20 +ATOM 30812 C CA . LEU A 1 29 ? -6.593 5.678 0.272 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 20 +ATOM 30813 C C . LEU A 1 29 ? -5.661 6.323 -0.746 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 20 +ATOM 30814 O O . LEU A 1 29 ? -4.494 6.516 -0.471 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 20 +ATOM 30815 C CB . LEU A 1 29 ? -6.768 4.186 -0.014 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 20 +ATOM 30816 C CG . LEU A 1 29 ? -7.410 3.355 1.108 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 20 +ATOM 30817 C CD1 . LEU A 1 29 ? -7.623 1.931 0.653 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 20 +ATOM 30818 C CD2 . LEU A 1 29 ? -6.528 3.367 2.352 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 20 +ATOM 30819 H H . LEU A 1 29 ? -8.689 5.906 0.018 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 20 +ATOM 30820 H HA . LEU A 1 29 ? -6.147 5.804 1.247 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 20 +ATOM 30821 H HB2 . LEU A 1 29 ? -7.378 4.103 -0.902 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 20 +ATOM 30822 H HB3 . LEU A 1 29 ? -5.795 3.771 -0.232 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 20 +ATOM 30823 H HG . LEU A 1 29 ? -8.371 3.773 1.370 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 20 +ATOM 30824 H HD11 . LEU A 1 29 ? -6.673 1.492 0.390 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 20 +ATOM 30825 H HD12 . LEU A 1 29 ? -8.271 1.922 -0.208 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 20 +ATOM 30826 H HD13 . LEU A 1 29 ? -8.074 1.360 1.452 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 20 +ATOM 30827 H HD21 . LEU A 1 29 ? -6.993 2.774 3.125 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 20 +ATOM 30828 H HD22 . LEU A 1 29 ? -6.397 4.378 2.706 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 20 +ATOM 30829 H HD23 . LEU A 1 29 ? -5.564 2.943 2.112 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 20 +ATOM 30830 N N . LYS A 1 30 ? -6.204 6.677 -1.903 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 20 +ATOM 30831 C CA . LYS A 1 30 ? -5.471 7.379 -2.948 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 20 +ATOM 30832 C C . LYS A 1 30 ? -4.945 8.711 -2.412 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 20 +ATOM 30833 O O . LYS A 1 30 ? -3.812 9.090 -2.679 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 20 +ATOM 30834 C CB . LYS A 1 30 ? -6.388 7.648 -4.137 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 20 +ATOM 30835 C CG . LYS A 1 30 ? -5.718 8.387 -5.287 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 20 +ATOM 30836 C CD . LYS A 1 30 ? -6.727 8.870 -6.318 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 20 +ATOM 30837 C CE . LYS A 1 30 ? -7.627 9.962 -5.741 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 20 +ATOM 30838 N NZ . LYS A 1 30 ? -8.598 10.463 -6.726 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 20 +ATOM 30839 H H . LYS A 1 30 ? -7.140 6.424 -2.075 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 20 +ATOM 30840 H HA . LYS A 1 30 ? -4.644 6.763 -3.269 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 20 +ATOM 30841 H HB2 . LYS A 1 30 ? -6.758 6.705 -4.510 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 20 +ATOM 30842 H HB3 . LYS A 1 30 ? -7.223 8.229 -3.779 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 20 +ATOM 30843 H HG2 . LYS A 1 30 ? -5.203 9.244 -4.877 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 20 +ATOM 30844 H HG3 . LYS A 1 30 ? -5.006 7.728 -5.762 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 20 +ATOM 30845 H HD2 . LYS A 1 30 ? -6.199 9.267 -7.173 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 20 +ATOM 30846 H HD3 . LYS A 1 30 ? -7.340 8.035 -6.626 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 20 +ATOM 30847 H HE2 . LYS A 1 30 ? -8.169 9.581 -4.890 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 20 +ATOM 30848 H HE3 . LYS A 1 30 ? -6.993 10.779 -5.426 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 20 +ATOM 30849 H HZ1 . LYS A 1 30 ? -9.207 11.197 -6.313 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 20 +ATOM 30850 H HZ2 . LYS A 1 30 ? -9.205 9.712 -7.108 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 20 +ATOM 30851 H HZ3 . LYS A 1 30 ? -8.106 10.891 -7.535 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 20 +ATOM 30852 N N . LYS A 1 31 ? -5.794 9.418 -1.667 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 20 +ATOM 30853 C CA . LYS A 1 31 ? -5.412 10.676 -1.026 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 20 +ATOM 30854 C C . LYS A 1 31 ? -4.245 10.450 -0.081 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 20 +ATOM 30855 O O . LYS A 1 31 ? -3.284 11.222 -0.067 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 20 +ATOM 30856 C CB . LYS A 1 31 ? -6.594 11.296 -0.277 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 20 +ATOM 30857 C CG . LYS A 1 31 ? -7.739 11.683 -1.169 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 20 +ATOM 30858 C CD . LYS A 1 31 ? -8.890 12.247 -0.376 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 20 +ATOM 30859 C CE . LYS A 1 31 ? -10.089 12.495 -1.264 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 20 +ATOM 30860 N NZ . LYS A 1 31 ? -9.807 13.459 -2.359 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 20 +ATOM 30861 H H . LYS A 1 31 ? -6.712 9.079 -1.571 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 20 +ATOM 30862 H HA . LYS A 1 31 ? -5.101 11.349 -1.811 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 20 +ATOM 30863 H HB2 . LYS A 1 31 ? -6.974 10.583 0.439 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 20 +ATOM 30864 H HB3 . LYS A 1 31 ? -6.265 12.181 0.245 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 20 +ATOM 30865 H HG2 . LYS A 1 31 ? -7.394 12.439 -1.859 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 20 +ATOM 30866 H HG3 . LYS A 1 31 ? -8.073 10.814 -1.716 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 20 +ATOM 30867 H HD2 . LYS A 1 31 ? -9.164 11.547 0.400 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 20 +ATOM 30868 H HD3 . LYS A 1 31 ? -8.585 13.181 0.072 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 20 +ATOM 30869 H HE2 . LYS A 1 31 ? -10.370 11.547 -1.698 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 20 +ATOM 30870 H HE3 . LYS A 1 31 ? -10.898 12.865 -0.652 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 20 +ATOM 30871 H HZ1 . LYS A 1 31 ? -9.501 14.378 -1.982 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 20 +ATOM 30872 H HZ2 . LYS A 1 31 ? -10.662 13.616 -2.930 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 20 +ATOM 30873 H HZ3 . LYS A 1 31 ? -9.067 13.100 -2.994 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 20 +ATOM 30874 N N . LYS A 1 32 ? -4.317 9.362 0.672 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 20 +ATOM 30875 C CA . LYS A 1 32 ? -3.251 8.975 1.576 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 20 +ATOM 30876 C C . LYS A 1 32 ? -1.982 8.640 0.815 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 20 +ATOM 30877 O O . LYS A 1 32 ? -0.893 9.021 1.222 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 20 +ATOM 30878 C CB . LYS A 1 32 ? -3.666 7.800 2.460 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 20 +ATOM 30879 C CG . LYS A 1 32 ? -4.787 8.111 3.436 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 20 +ATOM 30880 C CD . LYS A 1 32 ? -4.397 9.257 4.343 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 20 +ATOM 30881 C CE . LYS A 1 32 ? -5.411 9.485 5.433 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 20 +ATOM 30882 N NZ . LYS A 1 32 ? -5.038 10.643 6.271 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 20 +ATOM 30883 H H . LYS A 1 32 ? -5.128 8.810 0.618 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 20 +ATOM 30884 H HA . LYS A 1 32 ? -3.031 9.818 2.209 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 20 +ATOM 30885 H HB2 . LYS A 1 32 ? -3.983 6.980 1.833 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 20 +ATOM 30886 H HB3 . LYS A 1 32 ? -2.804 7.495 3.032 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 20 +ATOM 30887 H HG2 . LYS A 1 32 ? -5.672 8.384 2.880 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 20 +ATOM 30888 H HG3 . LYS A 1 32 ? -4.988 7.236 4.036 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 20 +ATOM 30889 H HD2 . LYS A 1 32 ? -3.443 9.029 4.794 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 20 +ATOM 30890 H HD3 . LYS A 1 32 ? -4.307 10.159 3.754 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 20 +ATOM 30891 H HE2 . LYS A 1 32 ? -6.381 9.652 4.991 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 20 +ATOM 30892 H HE3 . LYS A 1 32 ? -5.440 8.599 6.049 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 20 +ATOM 30893 H HZ1 . LYS A 1 32 ? -4.093 10.518 6.682 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 20 +ATOM 30894 H HZ2 . LYS A 1 32 ? -5.724 10.783 7.040 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 20 +ATOM 30895 H HZ3 . LYS A 1 32 ? -5.031 11.509 5.697 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 20 +ATOM 30896 N N . LEU A 1 33 ? -2.136 7.953 -0.290 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 20 +ATOM 30897 C CA . LEU A 1 33 ? -1.022 7.592 -1.131 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 20 +ATOM 30898 C C . LEU A 1 33 ? -0.363 8.824 -1.715 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 20 +ATOM 30899 O O . LEU A 1 33 ? 0.845 8.979 -1.637 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 20 +ATOM 30900 C CB . LEU A 1 33 ? -1.469 6.657 -2.259 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 20 +ATOM 30901 C CG . LEU A 1 33 ? -2.071 5.324 -1.821 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 20 +ATOM 30902 C CD1 . LEU A 1 33 ? -2.502 4.508 -3.023 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 20 +ATOM 30903 C CD2 . LEU A 1 33 ? -1.092 4.551 -0.954 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 20 +ATOM 30904 H H . LEU A 1 33 ? -3.041 7.652 -0.532 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 20 +ATOM 30905 H HA . LEU A 1 33 ? -0.303 7.069 -0.519 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 20 +ATOM 30906 H HB2 . LEU A 1 33 ? -2.202 7.181 -2.854 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 20 +ATOM 30907 H HB3 . LEU A 1 33 ? -0.608 6.450 -2.880 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 20 +ATOM 30908 H HG . LEU A 1 33 ? -2.954 5.527 -1.235 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 20 +ATOM 30909 H HD11 . LEU A 1 33 ? -3.261 5.048 -3.567 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 20 +ATOM 30910 H HD12 . LEU A 1 33 ? -2.893 3.557 -2.694 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 20 +ATOM 30911 H HD13 . LEU A 1 33 ? -1.649 4.349 -3.664 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 20 +ATOM 30912 H HD21 . LEU A 1 33 ? -1.520 3.596 -0.689 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 20 +ATOM 30913 H HD22 . LEU A 1 33 ? -0.915 5.123 -0.055 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 20 +ATOM 30914 H HD23 . LEU A 1 33 ? -0.159 4.408 -1.477 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 20 +ATOM 30915 N N . VAL A 1 34 ? -1.164 9.729 -2.244 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 20 +ATOM 30916 C CA . VAL A 1 34 ? -0.630 10.911 -2.883 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 20 +ATOM 30917 C C . VAL A 1 34 ? 0.058 11.846 -1.864 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 20 +ATOM 30918 O O . VAL A 1 34 ? 1.086 12.466 -2.184 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 20 +ATOM 30919 C CB . VAL A 1 34 ? -1.690 11.660 -3.770 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 20 +ATOM 30920 C CG1 . VAL A 1 34 ? -2.763 12.355 -2.959 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 20 +ATOM 30921 C CG2 . VAL A 1 34 ? -1.034 12.620 -4.740 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 20 +ATOM 30922 H H . VAL A 1 34 ? -2.136 9.578 -2.213 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 20 +ATOM 30923 H HA . VAL A 1 34 ? 0.158 10.546 -3.526 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 20 +ATOM 30924 H HB . VAL A 1 34 ? -2.193 10.901 -4.353 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 20 +ATOM 30925 H HG11 . VAL A 1 34 ? -2.313 13.126 -2.351 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 20 +ATOM 30926 H HG12 . VAL A 1 34 ? -3.227 11.627 -2.312 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 20 +ATOM 30927 H HG13 . VAL A 1 34 ? -3.500 12.790 -3.618 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 20 +ATOM 30928 H HG21 . VAL A 1 34 ? -0.489 13.377 -4.192 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 20 +ATOM 30929 H HG22 . VAL A 1 34 ? -1.804 13.081 -5.340 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 20 +ATOM 30930 H HG23 . VAL A 1 34 ? -0.358 12.075 -5.381 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 20 +ATOM 30931 N N . GLU A 1 35 ? -0.490 11.947 -0.639 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 20 +ATOM 30932 C CA . GLU A 1 35 ? 0.176 12.730 0.385 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 20 +ATOM 30933 C C . GLU A 1 35 ? 1.471 12.047 0.839 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 20 +ATOM 30934 O O . GLU A 1 35 ? 2.526 12.673 0.861 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 20 +ATOM 30935 C CB . GLU A 1 35 ? -0.733 13.090 1.589 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 20 +ATOM 30936 C CG . GLU A 1 35 ? -1.293 11.909 2.362 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 20 +ATOM 30937 C CD . GLU A 1 35 ? -2.036 12.311 3.613 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 20 +ATOM 30938 O OE1 . GLU A 1 35 ? -3.166 12.831 3.516 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 20 +ATOM 30939 O OE2 . GLU A 1 35 ? -1.504 12.100 4.730 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 20 +ATOM 30940 H H . GLU A 1 35 ? -1.340 11.498 -0.432 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 20 +ATOM 30941 H HA . GLU A 1 35 ? 0.472 13.641 -0.115 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 20 +ATOM 30942 H HB2 . GLU A 1 35 ? -0.176 13.706 2.279 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 20 +ATOM 30943 H HB3 . GLU A 1 35 ? -1.565 13.663 1.205 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 20 +ATOM 30944 H HG2 . GLU A 1 35 ? -1.975 11.389 1.708 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 20 +ATOM 30945 H HG3 . GLU A 1 35 ? -0.480 11.251 2.629 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 20 +ATOM 30946 N N . VAL A 1 36 ? 1.395 10.738 1.083 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 20 +ATOM 30947 C CA . VAL A 1 36 ? 2.501 9.962 1.626 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 20 +ATOM 30948 C C . VAL A 1 36 ? 3.722 9.952 0.694 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 20 +ATOM 30949 O O . VAL A 1 36 ? 4.831 9.872 1.156 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 20 +ATOM 30950 C CB . VAL A 1 36 ? 2.100 8.511 2.064 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 20 +ATOM 30951 C CG1 . VAL A 1 36 ? 2.061 7.524 0.905 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 20 +ATOM 30952 C CG2 . VAL A 1 36 ? 2.986 8.017 3.194 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 20 +ATOM 30953 H H . VAL A 1 36 ? 0.550 10.263 0.906 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 20 +ATOM 30954 H HA . VAL A 1 36 ? 2.811 10.507 2.509 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 20 +ATOM 30955 H HB . VAL A 1 36 ? 1.091 8.574 2.442 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 20 +ATOM 30956 H HG11 . VAL A 1 36 ? 3.051 7.438 0.480 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 20 +ATOM 30957 H HG12 . VAL A 1 36 ? 1.390 7.897 0.148 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 20 +ATOM 30958 H HG13 . VAL A 1 36 ? 1.728 6.557 1.250 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 20 +ATOM 30959 H HG21 . VAL A 1 36 ? 2.846 8.636 4.067 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 20 +ATOM 30960 H HG22 . VAL A 1 36 ? 4.013 8.094 2.874 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 20 +ATOM 30961 H HG23 . VAL A 1 36 ? 2.746 6.989 3.426 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 20 +ATOM 30962 N N . LEU A 1 37 ? 3.491 10.059 -0.618 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 20 +ATOM 30963 C CA . LEU A 1 37 ? 4.561 10.021 -1.642 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 20 +ATOM 30964 C C . LEU A 1 37 ? 5.688 11.036 -1.386 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 20 +ATOM 30965 O O . LEU A 1 37 ? 6.803 10.839 -1.865 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 20 +ATOM 30966 C CB . LEU A 1 37 ? 3.999 10.241 -3.058 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 20 +ATOM 30967 C CG . LEU A 1 37 ? 3.067 9.158 -3.609 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 20 +ATOM 30968 C CD1 . LEU A 1 37 ? 2.558 9.545 -4.987 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 20 +ATOM 30969 C CD2 . LEU A 1 37 ? 3.771 7.809 -3.661 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 20 +ATOM 30970 H H . LEU A 1 37 ? 2.559 10.137 -0.914 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 20 +ATOM 30971 H HA . LEU A 1 37 ? 4.996 9.035 -1.605 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 20 +ATOM 30972 H HB2 . LEU A 1 37 ? 3.459 11.175 -3.058 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 20 +ATOM 30973 H HB3 . LEU A 1 37 ? 4.837 10.338 -3.733 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 20 +ATOM 30974 H HG . LEU A 1 37 ? 2.211 9.071 -2.956 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 20 +ATOM 30975 H HD11 . LEU A 1 37 ? 2.023 10.480 -4.928 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 20 +ATOM 30976 H HD12 . LEU A 1 37 ? 1.895 8.775 -5.357 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 20 +ATOM 30977 H HD13 . LEU A 1 37 ? 3.393 9.651 -5.664 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 20 +ATOM 30978 H HD21 . LEU A 1 37 ? 3.104 7.073 -4.083 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 20 +ATOM 30979 H HD22 . LEU A 1 37 ? 4.042 7.503 -2.661 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 20 +ATOM 30980 H HD23 . LEU A 1 37 ? 4.659 7.882 -4.270 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 20 +ATOM 30981 N N . GLU A 1 38 ? 5.404 12.124 -0.669 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 20 +ATOM 30982 C CA . GLU A 1 38 ? 6.449 13.103 -0.349 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 20 +ATOM 30983 C C . GLU A 1 38 ? 7.479 12.512 0.628 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 20 +ATOM 30984 O O . GLU A 1 38 ? 8.660 12.869 0.603 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 20 +ATOM 30985 C CB . GLU A 1 38 ? 5.854 14.379 0.252 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 20 +ATOM 30986 C CG . GLU A 1 38 ? 5.069 14.151 1.528 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 20 +ATOM 30987 C CD . GLU A 1 38 ? 4.539 15.411 2.120 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 20 +ATOM 30988 O OE1 . GLU A 1 38 ? 3.846 16.174 1.414 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 20 +ATOM 30989 O OE2 . GLU A 1 38 ? 4.807 15.683 3.304 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 20 +ATOM 30990 H H . GLU A 1 38 ? 4.490 12.256 -0.335 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 20 +ATOM 30991 H HA . GLU A 1 38 ? 6.952 13.350 -1.271 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 20 +ATOM 30992 H HB2 . GLU A 1 38 ? 6.656 15.067 0.472 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 20 +ATOM 30993 H HB3 . GLU A 1 38 ? 5.196 14.831 -0.477 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 20 +ATOM 30994 H HG2 . GLU A 1 38 ? 4.236 13.499 1.314 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 20 +ATOM 30995 H HG3 . GLU A 1 38 ? 5.717 13.675 2.250 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 20 +ATOM 30996 N N . SER A 1 39 ? 7.023 11.621 1.484 1.00 0.00 ? ? ? ? ? ? 36 SER A N 20 +ATOM 30997 C CA . SER A 1 39 ? 7.849 10.983 2.481 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 20 +ATOM 30998 C C . SER A 1 39 ? 7.217 9.662 2.918 1.00 0.00 ? ? ? ? ? ? 36 SER A C 20 +ATOM 30999 O O . SER A 1 39 ? 6.566 9.597 3.933 1.00 0.00 ? ? ? ? ? ? 36 SER A O 20 +ATOM 31000 C CB . SER A 1 39 ? 8.062 11.900 3.705 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 20 +ATOM 31001 O OG . SER A 1 39 ? 8.738 13.107 3.342 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 20 +ATOM 31002 H H . SER A 1 39 ? 6.082 11.337 1.432 1.00 0.00 ? ? ? ? ? ? 36 SER A H 20 +ATOM 31003 H HA . SER A 1 39 ? 8.808 10.769 2.035 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 20 +ATOM 31004 H HB2 . SER A 1 39 ? 7.101 12.154 4.129 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 20 +ATOM 31005 H HB3 . SER A 1 39 ? 8.650 11.376 4.443 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 20 +ATOM 31006 H HG . SER A 1 39 ? 8.817 13.090 2.375 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 20 +ATOM 31007 N N . PRO A 1 40 ? 7.337 8.598 2.110 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 20 +ATOM 31008 C CA . PRO A 1 40 ? 6.766 7.298 2.459 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 20 +ATOM 31009 C C . PRO A 1 40 ? 7.654 6.523 3.424 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 20 +ATOM 31010 O O . PRO A 1 40 ? 7.315 5.447 3.862 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 20 +ATOM 31011 C CB . PRO A 1 40 ? 6.670 6.587 1.113 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 20 +ATOM 31012 C CG . PRO A 1 40 ? 7.798 7.149 0.320 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 20 +ATOM 31013 C CD . PRO A 1 40 ? 7.951 8.583 0.765 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 20 +ATOM 31014 H HA . PRO A 1 40 ? 5.786 7.394 2.899 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 20 +ATOM 31015 H HB2 . PRO A 1 40 ? 6.768 5.521 1.255 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 20 +ATOM 31016 H HB3 . PRO A 1 40 ? 5.718 6.807 0.652 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 20 +ATOM 31017 H HG2 . PRO A 1 40 ? 8.702 6.596 0.528 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 20 +ATOM 31018 H HG3 . PRO A 1 40 ? 7.568 7.106 -0.735 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 20 +ATOM 31019 H HD2 . PRO A 1 40 ? 8.993 8.865 0.808 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 20 +ATOM 31020 H HD3 . PRO A 1 40 ? 7.404 9.233 0.096 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 20 +ATOM 31021 N N . ARG A 1 41 ? 8.765 7.119 3.784 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 20 +ATOM 31022 C CA . ARG A 1 41 ? 9.746 6.495 4.658 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 20 +ATOM 31023 C C . ARG A 1 41 ? 9.447 6.739 6.150 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 20 +ATOM 31024 O O . ARG A 1 41 ? 10.342 6.651 6.996 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 20 +ATOM 31025 C CB . ARG A 1 41 ? 11.175 6.936 4.249 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 20 +ATOM 31026 C CG . ARG A 1 41 ? 11.417 8.455 4.100 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 20 +ATOM 31027 C CD . ARG A 1 41 ? 11.414 9.209 5.427 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 20 +ATOM 31028 N NE . ARG A 1 41 ? 12.449 8.721 6.355 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 20 +ATOM 31029 C CZ . ARG A 1 41 ? 12.782 9.305 7.513 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 20 +ATOM 31030 N NH1 . ARG A 1 41 ? 12.200 10.434 7.886 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 20 +ATOM 31031 N NH2 . ARG A 1 41 ? 13.701 8.756 8.286 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 20 +ATOM 31032 H H . ARG A 1 41 ? 8.906 8.025 3.442 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 20 +ATOM 31033 H HA . ARG A 1 41 ? 9.664 5.432 4.489 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 20 +ATOM 31034 H HB2 . ARG A 1 41 ? 11.859 6.577 5.002 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 20 +ATOM 31035 H HB3 . ARG A 1 41 ? 11.422 6.459 3.312 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 20 +ATOM 31036 H HG2 . ARG A 1 41 ? 12.368 8.614 3.617 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 20 +ATOM 31037 H HG3 . ARG A 1 41 ? 10.641 8.858 3.467 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 20 +ATOM 31038 H HD2 . ARG A 1 41 ? 11.582 10.256 5.233 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 20 +ATOM 31039 H HD3 . ARG A 1 41 ? 10.445 9.078 5.887 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 20 +ATOM 31040 H HE . ARG A 1 41 ? 12.904 7.892 6.087 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 20 +ATOM 31041 H HH11 . ARG A 1 41 ? 11.496 10.870 7.321 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 20 +ATOM 31042 H HH12 . ARG A 1 41 ? 12.445 10.922 8.726 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 20 +ATOM 31043 H HH21 . ARG A 1 41 ? 14.171 7.902 8.040 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 20 +ATOM 31044 H HH22 . ARG A 1 41 ? 13.978 9.163 9.160 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 20 +ATOM 31045 N N . ILE A 1 42 ? 8.181 6.929 6.461 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 20 +ATOM 31046 C CA . ILE A 1 42 ? 7.753 7.247 7.818 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 20 +ATOM 31047 C C . ILE A 1 42 ? 7.661 5.959 8.624 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 20 +ATOM 31048 O O . ILE A 1 42 ? 6.712 5.174 8.478 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 20 +ATOM 31049 C CB . ILE A 1 42 ? 6.371 7.983 7.817 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 20 +ATOM 31050 C CG1 . ILE A 1 42 ? 6.483 9.295 7.037 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 20 +ATOM 31051 C CG2 . ILE A 1 42 ? 5.878 8.251 9.244 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 20 +ATOM 31052 C CD1 . ILE A 1 42 ? 5.172 10.037 6.861 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 20 +ATOM 31053 H H . ILE A 1 42 ? 7.516 6.804 5.752 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 20 +ATOM 31054 H HA . ILE A 1 42 ? 8.498 7.889 8.263 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 20 +ATOM 31055 H HB . ILE A 1 42 ? 5.652 7.347 7.324 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 20 +ATOM 31056 H HG12 . ILE A 1 42 ? 7.154 9.955 7.567 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 20 +ATOM 31057 H HG13 . ILE A 1 42 ? 6.887 9.091 6.056 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 20 +ATOM 31058 H HG21 . ILE A 1 42 ? 6.580 8.896 9.749 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 20 +ATOM 31059 H HG22 . ILE A 1 42 ? 5.801 7.316 9.777 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 20 +ATOM 31060 H HG23 . ILE A 1 42 ? 4.909 8.729 9.207 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 20 +ATOM 31061 H HD11 . ILE A 1 42 ? 4.767 10.297 7.827 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 20 +ATOM 31062 H HD12 . ILE A 1 42 ? 4.477 9.404 6.330 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 20 +ATOM 31063 H HD13 . ILE A 1 42 ? 5.354 10.933 6.286 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 20 +ATOM 31064 N N . GLU A 1 43 ? 8.656 5.750 9.469 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 20 +ATOM 31065 C CA . GLU A 1 43 ? 8.793 4.528 10.231 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 20 +ATOM 31066 C C . GLU A 1 43 ? 7.687 4.311 11.260 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 20 +ATOM 31067 O O . GLU A 1 43 ? 7.497 3.202 11.742 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 20 +ATOM 31068 C CB . GLU A 1 43 ? 10.192 4.344 10.823 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 20 +ATOM 31069 C CG . GLU A 1 43 ? 10.664 5.433 11.752 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 20 +ATOM 31070 C CD . GLU A 1 43 ? 12.040 5.144 12.272 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 20 +ATOM 31071 O OE1 . GLU A 1 43 ? 13.026 5.484 11.592 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 20 +ATOM 31072 O OE2 . GLU A 1 43 ? 12.174 4.560 13.369 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 20 +ATOM 31073 H H . GLU A 1 43 ? 9.318 6.462 9.591 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 20 +ATOM 31074 H HA . GLU A 1 43 ? 8.651 3.759 9.486 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 20 +ATOM 31075 H HB2 . GLU A 1 43 ? 10.210 3.418 11.376 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 20 +ATOM 31076 H HB3 . GLU A 1 43 ? 10.896 4.273 10.007 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 20 +ATOM 31077 H HG2 . GLU A 1 43 ? 10.683 6.370 11.215 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 20 +ATOM 31078 H HG3 . GLU A 1 43 ? 9.982 5.506 12.588 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 20 +ATOM 31079 N N . ALA A 1 44 ? 6.939 5.351 11.573 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 20 +ATOM 31080 C CA . ALA A 1 44 ? 5.798 5.220 12.472 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 20 +ATOM 31081 C C . ALA A 1 44 ? 4.725 4.318 11.833 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 20 +ATOM 31082 O O . ALA A 1 44 ? 3.964 3.637 12.528 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 20 +ATOM 31083 C CB . ALA A 1 44 ? 5.220 6.589 12.802 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 20 +ATOM 31084 H H . ALA A 1 44 ? 7.188 6.232 11.215 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 20 +ATOM 31085 H HA . ALA A 1 44 ? 6.149 4.754 13.382 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 20 +ATOM 31086 H HB1 . ALA A 1 44 ? 5.988 7.206 13.245 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 20 +ATOM 31087 H HB2 . ALA A 1 44 ? 4.401 6.477 13.497 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 20 +ATOM 31088 H HB3 . ALA A 1 44 ? 4.861 7.057 11.897 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 20 +ATOM 31089 N N . ASN A 1 45 ? 4.716 4.274 10.509 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 20 +ATOM 31090 C CA . ASN A 1 45 ? 3.769 3.443 9.759 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 20 +ATOM 31091 C C . ASN A 1 45 ? 4.452 2.198 9.219 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 20 +ATOM 31092 O O . ASN A 1 45 ? 3.859 1.427 8.466 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 20 +ATOM 31093 C CB . ASN A 1 45 ? 3.121 4.233 8.601 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 20 +ATOM 31094 C CG . ASN A 1 45 ? 2.164 5.315 9.070 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 20 +ATOM 31095 O OD1 . ASN A 1 45 ? 1.508 5.179 10.109 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 20 +ATOM 31096 N ND2 . ASN A 1 45 ? 2.069 6.393 8.323 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 20 +ATOM 31097 H H . ASN A 1 45 ? 5.375 4.805 10.008 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 20 +ATOM 31098 H HA . ASN A 1 45 ? 2.994 3.136 10.446 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 20 +ATOM 31099 H HB2 . ASN A 1 45 ? 3.902 4.704 8.021 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 20 +ATOM 31100 H HB3 . ASN A 1 45 ? 2.580 3.544 7.968 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 20 +ATOM 31101 H HD21 . ASN A 1 45 ? 2.612 6.444 7.508 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 20 +ATOM 31102 H HD22 . ASN A 1 45 ? 1.469 7.120 8.601 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 20 +ATOM 31103 N N . LYS A 1 46 ? 5.681 1.987 9.646 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 20 +ATOM 31104 C CA . LYS A 1 46 ? 6.503 0.873 9.197 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 20 +ATOM 31105 C C . LYS A 1 46 ? 6.044 -0.440 9.754 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 20 +ATOM 31106 O O . LYS A 1 46 ? 5.440 -0.509 10.835 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 20 +ATOM 31107 C CB . LYS A 1 46 ? 7.961 1.063 9.567 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 20 +ATOM 31108 C CG . LYS A 1 46 ? 8.893 1.080 8.385 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 20 +ATOM 31109 C CD . LYS A 1 46 ? 10.322 1.367 8.800 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 20 +ATOM 31110 C CE . LYS A 1 46 ? 11.222 1.519 7.587 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 20 +ATOM 31111 N NZ . LYS A 1 46 ? 11.622 0.246 6.985 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 20 +ATOM 31112 H H . LYS A 1 46 ? 6.061 2.599 10.312 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 20 +ATOM 31113 H HA . LYS A 1 46 ? 6.438 0.834 8.120 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 20 +ATOM 31114 H HB2 . LYS A 1 46 ? 8.073 1.980 10.123 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 20 +ATOM 31115 H HB3 . LYS A 1 46 ? 8.244 0.236 10.202 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 20 +ATOM 31116 H HG2 . LYS A 1 46 ? 8.837 0.131 7.879 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 20 +ATOM 31117 H HG3 . LYS A 1 46 ? 8.560 1.856 7.713 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 20 +ATOM 31118 H HD2 . LYS A 1 46 ? 10.349 2.278 9.378 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 20 +ATOM 31119 H HD3 . LYS A 1 46 ? 10.680 0.545 9.402 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 20 +ATOM 31120 H HE2 . LYS A 1 46 ? 10.619 2.005 6.837 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 20 +ATOM 31121 H HE3 . LYS A 1 46 ? 12.095 2.103 7.829 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 20 +ATOM 31122 H HZ1 . LYS A 1 46 ? 12.107 0.450 6.079 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 20 +ATOM 31123 H HZ2 . LYS A 1 46 ? 10.810 -0.384 6.841 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 20 +ATOM 31124 H HZ3 . LYS A 1 46 ? 12.311 -0.223 7.610 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 20 +ATOM 31125 N N . LEU A 1 47 ? 6.245 -1.455 8.981 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 20 +ATOM 31126 C CA . LEU A 1 47 ? 6.030 -2.797 9.432 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 20 +ATOM 31127 C C . LEU A 1 47 ? 7.334 -3.316 9.991 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 20 +ATOM 31128 O O . LEU A 1 47 ? 8.376 -3.241 9.326 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 20 +ATOM 31129 C CB . LEU A 1 47 ? 5.539 -3.698 8.306 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 20 +ATOM 31130 C CG . LEU A 1 47 ? 4.117 -3.453 7.813 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 20 +ATOM 31131 C CD1 . LEU A 1 47 ? 3.817 -4.330 6.627 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 20 +ATOM 31132 C CD2 . LEU A 1 47 ? 3.127 -3.749 8.912 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 20 +ATOM 31133 H H . LEU A 1 47 ? 6.584 -1.282 8.070 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 20 +ATOM 31134 H HA . LEU A 1 47 ? 5.296 -2.763 10.222 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 20 +ATOM 31135 H HB2 . LEU A 1 47 ? 6.208 -3.574 7.467 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 20 +ATOM 31136 H HB3 . LEU A 1 47 ? 5.605 -4.720 8.650 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 20 +ATOM 31137 H HG . LEU A 1 47 ? 4.003 -2.420 7.522 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 20 +ATOM 31138 H HD11 . LEU A 1 47 ? 2.800 -4.146 6.314 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 20 +ATOM 31139 H HD12 . LEU A 1 47 ? 3.933 -5.367 6.909 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 20 +ATOM 31140 H HD13 . LEU A 1 47 ? 4.491 -4.092 5.819 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 20 +ATOM 31141 H HD21 . LEU A 1 47 ? 2.131 -3.632 8.510 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 20 +ATOM 31142 H HD22 . LEU A 1 47 ? 3.279 -3.068 9.735 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 20 +ATOM 31143 H HD23 . LEU A 1 47 ? 3.260 -4.766 9.249 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 20 +ATOM 31144 N N . ARG A 1 48 ? 7.286 -3.808 11.187 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 20 +ATOM 31145 C CA . ARG A 1 48 ? 8.448 -4.290 11.881 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 20 +ATOM 31146 C C . ARG A 1 48 ? 8.792 -5.693 11.432 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 20 +ATOM 31147 O O . ARG A 1 48 ? 7.923 -6.577 11.386 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 20 +ATOM 31148 C CB . ARG A 1 48 ? 8.197 -4.258 13.378 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 20 +ATOM 31149 C CG . ARG A 1 48 ? 8.087 -2.857 13.957 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 20 +ATOM 31150 C CD . ARG A 1 48 ? 7.566 -2.901 15.378 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 20 +ATOM 31151 N NE . ARG A 1 48 ? 6.175 -3.375 15.410 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 20 +ATOM 31152 C CZ . ARG A 1 48 ? 5.634 -4.153 16.352 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 20 +ATOM 31153 N NH1 . ARG A 1 48 ? 6.367 -4.627 17.339 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 20 +ATOM 31154 N NH2 . ARG A 1 48 ? 4.353 -4.465 16.289 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 20 +ATOM 31155 H H . ARG A 1 48 ? 6.419 -3.888 11.636 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 20 +ATOM 31156 H HA . ARG A 1 48 ? 9.275 -3.633 11.656 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 20 +ATOM 31157 H HB2 . ARG A 1 48 ? 7.275 -4.782 13.586 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 20 +ATOM 31158 H HB3 . ARG A 1 48 ? 9.007 -4.772 13.871 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 20 +ATOM 31159 H HG2 . ARG A 1 48 ? 9.064 -2.396 13.957 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 20 +ATOM 31160 H HG3 . ARG A 1 48 ? 7.408 -2.278 13.348 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 20 +ATOM 31161 H HD2 . ARG A 1 48 ? 8.186 -3.569 15.956 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 20 +ATOM 31162 H HD3 . ARG A 1 48 ? 7.607 -1.907 15.800 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 20 +ATOM 31163 H HE . ARG A 1 48 ? 5.626 -3.049 14.662 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 20 +ATOM 31164 H HH11 . ARG A 1 48 ? 7.348 -4.433 17.442 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 20 +ATOM 31165 H HH12 . ARG A 1 48 ? 5.972 -5.228 18.041 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 20 +ATOM 31166 H HH21 . ARG A 1 48 ? 3.752 -4.146 15.553 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 20 +ATOM 31167 H HH22 . ARG A 1 48 ? 3.918 -5.044 16.985 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 20 +ATOM 31168 N N . GLY A 1 49 ? 10.040 -5.884 11.063 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 20 +ATOM 31169 C CA . GLY A 1 49 ? 10.503 -7.178 10.635 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 20 +ATOM 31170 C C . GLY A 1 49 ? 10.303 -7.369 9.154 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 20 +ATOM 31171 O O . GLY A 1 49 ? 10.454 -8.474 8.623 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 20 +ATOM 31172 H H . GLY A 1 49 ? 10.662 -5.124 11.066 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 20 +ATOM 31173 H HA2 . GLY A 1 49 ? 11.551 -7.275 10.872 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 20 +ATOM 31174 H HA3 . GLY A 1 49 ? 9.948 -7.941 11.160 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 20 +ATOM 31175 N N . MET A 1 50 ? 9.980 -6.299 8.491 1.00 0.00 ? ? ? ? ? ? 47 MET A N 20 +ATOM 31176 C CA . MET A 1 50 ? 9.705 -6.308 7.077 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 20 +ATOM 31177 C C . MET A 1 50 ? 10.635 -5.319 6.415 1.00 0.00 ? ? ? ? ? ? 47 MET A C 20 +ATOM 31178 O O . MET A 1 50 ? 10.907 -4.277 6.993 1.00 0.00 ? ? ? ? ? ? 47 MET A O 20 +ATOM 31179 C CB . MET A 1 50 ? 8.250 -5.884 6.844 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 20 +ATOM 31180 C CG . MET A 1 50 ? 7.212 -6.816 7.463 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 20 +ATOM 31181 S SD . MET A 1 50 ? 7.105 -8.413 6.634 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 20 +ATOM 31182 C CE . MET A 1 50 ? 6.422 -7.899 5.058 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 20 +ATOM 31183 H H . MET A 1 50 ? 9.946 -5.443 8.972 1.00 0.00 ? ? ? ? ? ? 47 MET A H 20 +ATOM 31184 H HA . MET A 1 50 ? 9.858 -7.303 6.687 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 20 +ATOM 31185 H HB2 . MET A 1 50 ? 8.111 -4.900 7.267 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 20 +ATOM 31186 H HB3 . MET A 1 50 ? 8.073 -5.828 5.781 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 20 +ATOM 31187 H HG2 . MET A 1 50 ? 7.471 -6.985 8.497 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 20 +ATOM 31188 H HG3 . MET A 1 50 ? 6.244 -6.339 7.414 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 20 +ATOM 31189 H HE1 . MET A 1 50 ? 7.094 -7.225 4.549 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 20 +ATOM 31190 H HE2 . MET A 1 50 ? 5.476 -7.407 5.233 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 20 +ATOM 31191 H HE3 . MET A 1 50 ? 6.241 -8.768 4.442 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 20 +ATOM 31192 N N . PRO A 1 51 ? 11.170 -5.618 5.239 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 20 +ATOM 31193 C CA . PRO A 1 51 ? 12.035 -4.686 4.541 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 20 +ATOM 31194 C C . PRO A 1 51 ? 11.243 -3.567 3.870 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 20 +ATOM 31195 O O . PRO A 1 51 ? 10.593 -3.769 2.835 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 20 +ATOM 31196 C CB . PRO A 1 51 ? 12.773 -5.546 3.521 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 20 +ATOM 31197 C CG . PRO A 1 51 ? 11.872 -6.712 3.271 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 20 +ATOM 31198 C CD . PRO A 1 51 ? 11.014 -6.888 4.505 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 20 +ATOM 31199 H HA . PRO A 1 51 ? 12.735 -4.217 5.217 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 20 +ATOM 31200 H HB2 . PRO A 1 51 ? 12.943 -4.973 2.621 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 20 +ATOM 31201 H HB3 . PRO A 1 51 ? 13.718 -5.864 3.932 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 20 +ATOM 31202 H HG2 . PRO A 1 51 ? 11.249 -6.510 2.412 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 20 +ATOM 31203 H HG3 . PRO A 1 51 ? 12.468 -7.595 3.098 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 20 +ATOM 31204 H HD2 . PRO A 1 51 ? 9.980 -7.045 4.233 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 20 +ATOM 31205 H HD3 . PRO A 1 51 ? 11.376 -7.717 5.096 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 20 +ATOM 31206 N N . ASP A 1 52 ? 11.256 -2.420 4.527 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 20 +ATOM 31207 C CA . ASP A 1 52 ? 10.606 -1.177 4.077 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 20 +ATOM 31208 C C . ASP A 1 52 ? 9.191 -1.364 3.613 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 20 +ATOM 31209 O O . ASP A 1 52 ? 8.832 -1.015 2.485 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 20 +ATOM 31210 C CB . ASP A 1 52 ? 11.441 -0.397 3.057 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 20 +ATOM 31211 C CG . ASP A 1 52 ? 12.730 0.086 3.656 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 20 +ATOM 31212 O OD1 . ASP A 1 52 ? 12.697 1.004 4.513 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 20 +ATOM 31213 O OD2 . ASP A 1 52 ? 13.796 -0.491 3.351 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 20 +ATOM 31214 H H . ASP A 1 52 ? 11.754 -2.430 5.373 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 20 +ATOM 31215 H HA . ASP A 1 52 ? 10.533 -0.568 4.967 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 20 +ATOM 31216 H HB2 . ASP A 1 52 ? 11.655 -1.038 2.213 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 20 +ATOM 31217 H HB3 . ASP A 1 52 ? 10.877 0.458 2.714 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 20 +ATOM 31218 N N . CYS A 1 53 ? 8.400 -1.931 4.467 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 20 +ATOM 31219 C CA . CYS A 1 53 ? 7.020 -2.109 4.187 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 20 +ATOM 31220 C C . CYS A 1 53 ? 6.266 -1.227 5.154 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 20 +ATOM 31221 O O . CYS A 1 53 ? 6.682 -1.079 6.310 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 20 +ATOM 31222 C CB . CYS A 1 53 ? 6.638 -3.577 4.354 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 20 +ATOM 31223 S SG . CYS A 1 53 ? 7.654 -4.721 3.377 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 20 +ATOM 31224 H H . CYS A 1 53 ? 8.735 -2.213 5.345 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 20 +ATOM 31225 H HA . CYS A 1 53 ? 6.825 -1.786 3.177 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 20 +ATOM 31226 H HB2 . CYS A 1 53 ? 6.741 -3.854 5.392 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 20 +ATOM 31227 H HB3 . CYS A 1 53 ? 5.611 -3.708 4.047 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 20 +ATOM 31228 H HG . CYS A 1 53 ? 8.741 -4.072 2.969 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 20 +ATOM 31229 N N . TYR A 1 54 ? 5.215 -0.622 4.701 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 20 +ATOM 31230 C CA . TYR A 1 54 ? 4.465 0.320 5.503 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 20 +ATOM 31231 C C . TYR A 1 54 ? 3.000 0.039 5.302 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 20 +ATOM 31232 O O . TYR A 1 54 ? 2.627 -0.609 4.308 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 20 +ATOM 31233 C CB . TYR A 1 54 ? 4.764 1.777 5.059 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 20 +ATOM 31234 C CG . TYR A 1 54 ? 6.235 2.187 5.076 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 20 +ATOM 31235 C CD1 . TYR A 1 54 ? 7.104 1.777 4.070 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 20 +ATOM 31236 C CD2 . TYR A 1 54 ? 6.747 2.976 6.086 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 20 +ATOM 31237 C CE1 . TYR A 1 54 ? 8.433 2.136 4.076 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 20 +ATOM 31238 C CE2 . TYR A 1 54 ? 8.084 3.340 6.096 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 20 +ATOM 31239 C CZ . TYR A 1 54 ? 8.918 2.914 5.085 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 20 +ATOM 31240 O OH . TYR A 1 54 ? 10.254 3.261 5.099 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 20 +ATOM 31241 H H . TYR A 1 54 ? 4.902 -0.806 3.785 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 20 +ATOM 31242 H HA . TYR A 1 54 ? 4.731 0.199 6.543 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 20 +ATOM 31243 H HB2 . TYR A 1 54 ? 4.405 1.911 4.050 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 20 +ATOM 31244 H HB3 . TYR A 1 54 ? 4.222 2.452 5.707 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 20 +ATOM 31245 H HD1 . TYR A 1 54 ? 6.721 1.161 3.270 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 20 +ATOM 31246 H HD2 . TYR A 1 54 ? 6.093 3.307 6.880 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 20 +ATOM 31247 H HE1 . TYR A 1 54 ? 9.086 1.803 3.282 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 20 +ATOM 31248 H HE2 . TYR A 1 54 ? 8.467 3.958 6.895 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 20 +ATOM 31249 H HH . TYR A 1 54 ? 10.544 3.463 4.203 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 20 +ATOM 31250 N N . LYS A 1 55 ? 2.174 0.490 6.208 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 20 +ATOM 31251 C CA . LYS A 1 55 ? 0.762 0.295 6.056 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 20 +ATOM 31252 C C . LYS A 1 55 ? 0.010 1.584 6.317 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 20 +ATOM 31253 O O . LYS A 1 55 ? 0.358 2.361 7.216 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 20 +ATOM 31254 C CB . LYS A 1 55 ? 0.189 -0.841 6.956 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 20 +ATOM 31255 C CG . LYS A 1 55 ? 0.136 -0.553 8.467 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 20 +ATOM 31256 C CD . LYS A 1 55 ? 1.486 -0.667 9.153 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 20 +ATOM 31257 C CE . LYS A 1 55 ? 1.383 -0.235 10.600 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 20 +ATOM 31258 N NZ . LYS A 1 55 ? 2.582 -0.583 11.401 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 20 +ATOM 31259 H H . LYS A 1 55 ? 2.513 0.988 6.984 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 20 +ATOM 31260 H HA . LYS A 1 55 ? 0.596 0.025 5.023 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 20 +ATOM 31261 H HB2 . LYS A 1 55 ? -0.818 -1.062 6.631 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 20 +ATOM 31262 H HB3 . LYS A 1 55 ? 0.791 -1.725 6.804 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 20 +ATOM 31263 H HG2 . LYS A 1 55 ? -0.230 0.452 8.612 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 20 +ATOM 31264 H HG3 . LYS A 1 55 ? -0.553 -1.248 8.925 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 20 +ATOM 31265 H HD2 . LYS A 1 55 ? 1.813 -1.695 9.112 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 20 +ATOM 31266 H HD3 . LYS A 1 55 ? 2.198 -0.036 8.642 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 20 +ATOM 31267 H HE2 . LYS A 1 55 ? 1.276 0.837 10.603 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 20 +ATOM 31268 H HE3 . LYS A 1 55 ? 0.508 -0.686 11.043 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 20 +ATOM 31269 H HZ1 . LYS A 1 55 ? 2.644 -1.618 11.502 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 20 +ATOM 31270 H HZ2 . LYS A 1 55 ? 2.474 -0.191 12.359 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 20 +ATOM 31271 H HZ3 . LYS A 1 55 ? 3.476 -0.230 11.002 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 20 +ATOM 31272 N N . ILE A 1 56 ? -0.986 1.805 5.526 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 20 +ATOM 31273 C CA . ILE A 1 56 ? -1.885 2.904 5.691 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 20 +ATOM 31274 C C . ILE A 1 56 ? -3.213 2.327 6.116 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 20 +ATOM 31275 O O . ILE A 1 56 ? -3.618 1.265 5.632 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 20 +ATOM 31276 C CB . ILE A 1 56 ? -2.040 3.740 4.378 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 20 +ATOM 31277 C CG1 . ILE A 1 56 ? -0.701 4.404 4.019 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 20 +ATOM 31278 C CG2 . ILE A 1 56 ? -3.156 4.792 4.501 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 20 +ATOM 31279 C CD1 . ILE A 1 56 ? -0.738 5.244 2.763 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 20 +ATOM 31280 H H . ILE A 1 56 ? -1.142 1.178 4.783 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 20 +ATOM 31281 H HA . ILE A 1 56 ? -1.505 3.535 6.482 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 20 +ATOM 31282 H HB . ILE A 1 56 ? -2.311 3.061 3.583 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 20 +ATOM 31283 H HG12 . ILE A 1 56 ? -0.402 5.047 4.833 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 20 +ATOM 31284 H HG13 . ILE A 1 56 ? 0.046 3.634 3.888 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 20 +ATOM 31285 H HG21 . ILE A 1 56 ? -4.093 4.302 4.722 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 20 +ATOM 31286 H HG22 . ILE A 1 56 ? -3.248 5.332 3.571 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 20 +ATOM 31287 H HG23 . ILE A 1 56 ? -2.918 5.487 5.293 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 20 +ATOM 31288 H HD11 . ILE A 1 56 ? 0.241 5.656 2.571 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 20 +ATOM 31289 H HD12 . ILE A 1 56 ? -1.446 6.047 2.895 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 20 +ATOM 31290 H HD13 . ILE A 1 56 ? -1.047 4.626 1.933 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 20 +ATOM 31291 N N . LYS A 1 57 ? -3.866 2.988 7.016 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 20 +ATOM 31292 C CA . LYS A 1 57 ? -5.110 2.520 7.533 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 20 +ATOM 31293 C C . LYS A 1 57 ? -6.155 3.596 7.407 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 20 +ATOM 31294 O O . LYS A 1 57 ? -5.892 4.786 7.688 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 20 +ATOM 31295 C CB . LYS A 1 57 ? -5.014 1.952 8.988 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 20 +ATOM 31296 C CG . LYS A 1 57 ? -4.497 2.909 10.063 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 20 +ATOM 31297 C CD . LYS A 1 57 ? -3.017 3.204 9.904 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 20 +ATOM 31298 C CE . LYS A 1 57 ? -2.576 4.288 10.836 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 20 +ATOM 31299 N NZ . LYS A 1 57 ? -2.546 3.839 12.239 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 20 +ATOM 31300 H H . LYS A 1 57 ? -3.530 3.860 7.308 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 20 +ATOM 31301 H HA . LYS A 1 57 ? -5.395 1.719 6.872 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 20 +ATOM 31302 H HB2 . LYS A 1 57 ? -5.998 1.630 9.292 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 20 +ATOM 31303 H HB3 . LYS A 1 57 ? -4.368 1.086 8.969 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 20 +ATOM 31304 H HG2 . LYS A 1 57 ? -5.045 3.835 9.988 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 20 +ATOM 31305 H HG3 . LYS A 1 57 ? -4.670 2.468 11.034 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 20 +ATOM 31306 H HD2 . LYS A 1 57 ? -2.459 2.310 10.140 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 20 +ATOM 31307 H HD3 . LYS A 1 57 ? -2.796 3.496 8.889 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 20 +ATOM 31308 H HE2 . LYS A 1 57 ? -1.607 4.632 10.515 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 20 +ATOM 31309 H HE3 . LYS A 1 57 ? -3.307 5.075 10.715 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 20 +ATOM 31310 H HZ1 . LYS A 1 57 ? -1.906 3.028 12.351 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 20 +ATOM 31311 H HZ2 . LYS A 1 57 ? -3.491 3.552 12.566 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 20 +ATOM 31312 H HZ3 . LYS A 1 57 ? -2.217 4.597 12.871 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 20 +ATOM 31313 N N . LEU A 1 58 ? -7.284 3.199 6.925 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 20 +ATOM 31314 C CA . LEU A 1 58 ? -8.404 4.065 6.702 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 20 +ATOM 31315 C C . LEU A 1 58 ? -9.241 3.997 7.983 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 20 +ATOM 31316 O O . LEU A 1 58 ? -9.413 2.913 8.542 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 20 +ATOM 31317 C CB . LEU A 1 58 ? -9.167 3.509 5.463 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 20 +ATOM 31318 C CG . LEU A 1 58 ? -9.949 4.479 4.551 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 20 +ATOM 31319 C CD1 . LEU A 1 58 ? -11.170 5.059 5.211 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 20 +ATOM 31320 C CD2 . LEU A 1 58 ? -9.041 5.580 4.052 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 20 +ATOM 31321 H H . LEU A 1 58 ? -7.394 2.246 6.703 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 20 +ATOM 31322 H HA . LEU A 1 58 ? -8.048 5.067 6.516 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 20 +ATOM 31323 H HB2 . LEU A 1 58 ? -8.446 3.003 4.841 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 20 +ATOM 31324 H HB3 . LEU A 1 58 ? -9.861 2.766 5.829 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 20 +ATOM 31325 H HG . LEU A 1 58 ? -10.289 3.930 3.684 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 20 +ATOM 31326 H HD11 . LEU A 1 58 ? -10.886 5.543 6.132 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 20 +ATOM 31327 H HD12 . LEU A 1 58 ? -11.883 4.273 5.410 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 20 +ATOM 31328 H HD13 . LEU A 1 58 ? -11.609 5.786 4.542 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 20 +ATOM 31329 H HD21 . LEU A 1 58 ? -9.600 6.216 3.383 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 20 +ATOM 31330 H HD22 . LEU A 1 58 ? -8.207 5.138 3.528 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 20 +ATOM 31331 H HD23 . LEU A 1 58 ? -8.681 6.162 4.887 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 20 +ATOM 31332 N N . ARG A 1 59 ? -9.710 5.127 8.480 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 20 +ATOM 31333 C CA . ARG A 1 59 ? -10.428 5.118 9.756 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 20 +ATOM 31334 C C . ARG A 1 59 ? -11.926 5.321 9.591 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 20 +ATOM 31335 O O . ARG A 1 59 ? -12.700 5.056 10.498 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 20 +ATOM 31336 C CB . ARG A 1 59 ? -9.813 6.113 10.759 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 20 +ATOM 31337 C CG . ARG A 1 59 ? -9.766 7.557 10.283 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 20 +ATOM 31338 C CD . ARG A 1 59 ? -9.012 8.442 11.264 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 20 +ATOM 31339 N NE . ARG A 1 59 ? -7.623 7.976 11.461 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 20 +ATOM 31340 C CZ . ARG A 1 59 ? -6.525 8.752 11.430 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 20 +ATOM 31341 N NH1 . ARG A 1 59 ? -6.621 10.067 11.204 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 20 +ATOM 31342 N NH2 . ARG A 1 59 ? -5.337 8.205 11.635 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 20 +ATOM 31343 H H . ARG A 1 59 ? -9.575 5.969 7.993 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 20 +ATOM 31344 H HA . ARG A 1 59 ? -10.299 4.121 10.152 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 20 +ATOM 31345 H HB2 . ARG A 1 59 ? -10.394 6.084 11.669 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 20 +ATOM 31346 H HB3 . ARG A 1 59 ? -8.805 5.794 10.982 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 20 +ATOM 31347 H HG2 . ARG A 1 59 ? -9.256 7.590 9.332 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 20 +ATOM 31348 H HG3 . ARG A 1 59 ? -10.773 7.930 10.172 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 20 +ATOM 31349 H HD2 . ARG A 1 59 ? -8.995 9.451 10.882 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 20 +ATOM 31350 H HD3 . ARG A 1 59 ? -9.521 8.426 12.215 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 20 +ATOM 31351 H HE . ARG A 1 59 ? -7.537 7.013 11.638 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 20 +ATOM 31352 H HH11 . ARG A 1 59 ? -7.503 10.520 11.053 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 20 +ATOM 31353 H HH12 . ARG A 1 59 ? -5.826 10.680 11.169 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 20 +ATOM 31354 H HH21 . ARG A 1 59 ? -5.233 7.224 11.818 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 20 +ATOM 31355 H HH22 . ARG A 1 59 ? -4.485 8.736 11.622 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 20 +ATOM 31356 N N . SER A 1 60 ? -12.332 5.782 8.433 1.00 0.00 ? ? ? ? ? ? 57 SER A N 20 +ATOM 31357 C CA . SER A 1 60 ? -13.744 5.954 8.146 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 20 +ATOM 31358 C C . SER A 1 60 ? -14.373 4.591 7.811 1.00 0.00 ? ? ? ? ? ? 57 SER A C 20 +ATOM 31359 O O . SER A 1 60 ? -15.553 4.356 8.052 1.00 0.00 ? ? ? ? ? ? 57 SER A O 20 +ATOM 31360 C CB . SER A 1 60 ? -13.899 6.924 6.986 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 20 +ATOM 31361 O OG . SER A 1 60 ? -13.159 8.112 7.245 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 20 +ATOM 31362 H H . SER A 1 60 ? -11.668 6.045 7.765 1.00 0.00 ? ? ? ? ? ? 57 SER A H 20 +ATOM 31363 H HA . SER A 1 60 ? -14.223 6.361 9.023 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 20 +ATOM 31364 H HB2 . SER A 1 60 ? -13.529 6.468 6.078 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 20 +ATOM 31365 H HB3 . SER A 1 60 ? -14.940 7.181 6.869 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 20 +ATOM 31366 H HG . SER A 1 60 ? -13.369 8.372 8.154 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 20 +ATOM 31367 N N . SER A 1 61 ? -13.555 3.712 7.292 1.00 0.00 ? ? ? ? ? ? 58 SER A N 20 +ATOM 31368 C CA . SER A 1 61 ? -13.924 2.365 6.936 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 20 +ATOM 31369 C C . SER A 1 61 ? -12.711 1.514 7.252 1.00 0.00 ? ? ? ? ? ? 58 SER A C 20 +ATOM 31370 O O . SER A 1 61 ? -11.595 1.973 7.023 1.00 0.00 ? ? ? ? ? ? 58 SER A O 20 +ATOM 31371 C CB . SER A 1 61 ? -14.234 2.282 5.432 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 20 +ATOM 31372 O OG . SER A 1 61 ? -15.232 3.223 5.046 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 20 +ATOM 31373 H H . SER A 1 61 ? -12.614 3.943 7.150 1.00 0.00 ? ? ? ? ? ? 58 SER A H 20 +ATOM 31374 H HA . SER A 1 61 ? -14.778 2.054 7.521 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 20 +ATOM 31375 H HB2 . SER A 1 61 ? -13.335 2.486 4.872 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 20 +ATOM 31376 H HB3 . SER A 1 61 ? -14.586 1.289 5.197 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 20 +ATOM 31377 H HG . SER A 1 61 ? -15.747 2.794 4.350 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 20 +ATOM 31378 N N . GLY A 1 62 ? -12.904 0.323 7.788 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 20 +ATOM 31379 C CA . GLY A 1 62 ? -11.784 -0.519 8.176 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 20 +ATOM 31380 C C . GLY A 1 62 ? -11.035 -1.130 6.996 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 20 +ATOM 31381 O O . GLY A 1 62 ? -11.176 -2.326 6.706 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 20 +ATOM 31382 H H . GLY A 1 62 ? -13.815 -0.010 7.941 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 20 +ATOM 31383 H HA2 . GLY A 1 62 ? -11.089 0.080 8.745 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 20 +ATOM 31384 H HA3 . GLY A 1 62 ? -12.152 -1.315 8.807 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 20 +ATOM 31385 N N . TYR A 1 63 ? -10.260 -0.327 6.320 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 20 +ATOM 31386 C CA . TYR A 1 63 ? -9.450 -0.769 5.215 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 20 +ATOM 31387 C C . TYR A 1 63 ? -8.007 -0.421 5.453 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 20 +ATOM 31388 O O . TYR A 1 63 ? -7.695 0.619 6.014 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 20 +ATOM 31389 C CB . TYR A 1 63 ? -9.938 -0.195 3.885 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 20 +ATOM 31390 C CG . TYR A 1 63 ? -11.169 -0.880 3.335 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 20 +ATOM 31391 C CD1 . TYR A 1 63 ? -12.450 -0.529 3.746 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 20 +ATOM 31392 C CD2 . TYR A 1 63 ? -11.040 -1.881 2.393 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 20 +ATOM 31393 C CE1 . TYR A 1 63 ? -13.562 -1.166 3.225 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 20 +ATOM 31394 C CE2 . TYR A 1 63 ? -12.138 -2.520 1.871 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 20 +ATOM 31395 C CZ . TYR A 1 63 ? -13.395 -2.162 2.287 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 20 +ATOM 31396 O OH . TYR A 1 63 ? -14.489 -2.805 1.761 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 20 +ATOM 31397 H H . TYR A 1 63 ? -10.229 0.624 6.574 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 20 +ATOM 31398 H HA . TYR A 1 63 ? -9.530 -1.846 5.177 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 20 +ATOM 31399 H HB2 . TYR A 1 63 ? -10.175 0.851 4.021 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 20 +ATOM 31400 H HB3 . TYR A 1 63 ? -9.149 -0.286 3.154 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 20 +ATOM 31401 H HD1 . TYR A 1 63 ? -12.572 0.251 4.482 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 20 +ATOM 31402 H HD2 . TYR A 1 63 ? -10.049 -2.161 2.068 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 20 +ATOM 31403 H HE1 . TYR A 1 63 ? -14.551 -0.885 3.554 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 20 +ATOM 31404 H HE2 . TYR A 1 63 ? -12.008 -3.300 1.135 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 20 +ATOM 31405 H HH . TYR A 1 63 ? -14.288 -3.749 1.749 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 20 +ATOM 31406 N N . ARG A 1 64 ? -7.144 -1.313 5.073 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 20 +ATOM 31407 C CA . ARG A 1 64 ? -5.730 -1.155 5.245 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 20 +ATOM 31408 C C . ARG A 1 64 ? -5.071 -1.355 3.904 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 20 +ATOM 31409 O O . ARG A 1 64 ? -5.578 -2.106 3.057 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 20 +ATOM 31410 C CB . ARG A 1 64 ? -5.134 -2.182 6.247 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 20 +ATOM 31411 C CG . ARG A 1 64 ? -5.613 -2.106 7.710 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 20 +ATOM 31412 C CD . ARG A 1 64 ? -7.063 -2.551 7.891 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 20 +ATOM 31413 N NE . ARG A 1 64 ? -7.433 -2.651 9.301 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 20 +ATOM 31414 C CZ . ARG A 1 64 ? -8.594 -3.116 9.775 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 20 +ATOM 31415 N NH1 . ARG A 1 64 ? -9.609 -3.388 8.945 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 20 +ATOM 31416 N NH2 . ARG A 1 64 ? -8.754 -3.277 11.085 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 20 +ATOM 31417 H H . ARG A 1 64 ? -7.447 -2.124 4.606 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 20 +ATOM 31418 H HA . ARG A 1 64 ? -5.534 -0.155 5.600 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 20 +ATOM 31419 H HB2 . ARG A 1 64 ? -5.367 -3.174 5.889 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 20 +ATOM 31420 H HB3 . ARG A 1 64 ? -4.060 -2.073 6.238 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 20 +ATOM 31421 H HG2 . ARG A 1 64 ? -4.988 -2.749 8.312 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 20 +ATOM 31422 H HG3 . ARG A 1 64 ? -5.512 -1.088 8.057 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 20 +ATOM 31423 H HD2 . ARG A 1 64 ? -7.708 -1.830 7.411 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 20 +ATOM 31424 H HD3 . ARG A 1 64 ? -7.197 -3.515 7.423 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 20 +ATOM 31425 H HE . ARG A 1 64 ? -6.712 -2.383 9.921 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 20 +ATOM 31426 H HH11 . ARG A 1 64 ? -9.554 -3.248 7.955 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 20 +ATOM 31427 H HH12 . ARG A 1 64 ? -10.477 -3.756 9.289 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 20 +ATOM 31428 H HH21 . ARG A 1 64 ? -8.027 -3.060 11.744 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 20 +ATOM 31429 H HH22 . ARG A 1 64 ? -9.601 -3.637 11.484 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 20 +ATOM 31430 N N . LEU A 1 65 ? -3.986 -0.698 3.702 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 20 +ATOM 31431 C CA . LEU A 1 65 ? -3.237 -0.817 2.492 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 20 +ATOM 31432 C C . LEU A 1 65 ? -1.775 -0.999 2.876 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 20 +ATOM 31433 O O . LEU A 1 65 ? -1.230 -0.199 3.631 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 20 +ATOM 31434 C CB . LEU A 1 65 ? -3.490 0.442 1.619 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 20 +ATOM 31435 C CG . LEU A 1 65 ? -2.898 0.474 0.195 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 20 +ATOM 31436 C CD1 . LEU A 1 65 ? -3.582 1.548 -0.626 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 20 +ATOM 31437 C CD2 . LEU A 1 65 ? -1.418 0.772 0.228 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 20 +ATOM 31438 H H . LEU A 1 65 ? -3.657 -0.085 4.400 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 20 +ATOM 31439 H HA . LEU A 1 65 ? -3.577 -1.698 1.968 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 20 +ATOM 31440 H HB2 . LEU A 1 65 ? -4.558 0.565 1.529 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 20 +ATOM 31441 H HB3 . LEU A 1 65 ? -3.109 1.297 2.159 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 20 +ATOM 31442 H HG . LEU A 1 65 ? -3.050 -0.480 -0.285 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 20 +ATOM 31443 H HD11 . LEU A 1 65 ? -3.445 2.507 -0.148 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 20 +ATOM 31444 H HD12 . LEU A 1 65 ? -4.636 1.329 -0.711 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 20 +ATOM 31445 H HD13 . LEU A 1 65 ? -3.135 1.569 -1.609 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 20 +ATOM 31446 H HD21 . LEU A 1 65 ? -1.040 0.819 -0.781 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 20 +ATOM 31447 H HD22 . LEU A 1 65 ? -0.908 -0.010 0.772 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 20 +ATOM 31448 H HD23 . LEU A 1 65 ? -1.261 1.720 0.720 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 20 +ATOM 31449 N N . VAL A 1 66 ? -1.166 -2.057 2.390 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 20 +ATOM 31450 C CA . VAL A 1 66 ? 0.210 -2.382 2.724 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 20 +ATOM 31451 C C . VAL A 1 66 ? 1.070 -2.317 1.474 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 20 +ATOM 31452 O O . VAL A 1 66 ? 0.731 -2.922 0.434 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 20 +ATOM 31453 C CB . VAL A 1 66 ? 0.323 -3.793 3.380 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 20 +ATOM 31454 C CG1 . VAL A 1 66 ? 1.770 -4.145 3.701 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 20 +ATOM 31455 C CG2 . VAL A 1 66 ? -0.513 -3.854 4.645 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 20 +ATOM 31456 H H . VAL A 1 66 ? -1.635 -2.640 1.751 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 20 +ATOM 31457 H HA . VAL A 1 66 ? 0.564 -1.640 3.424 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 20 +ATOM 31458 H HB . VAL A 1 66 ? -0.063 -4.526 2.685 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 20 +ATOM 31459 H HG11 . VAL A 1 66 ? 1.810 -5.124 4.157 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 20 +ATOM 31460 H HG12 . VAL A 1 66 ? 2.172 -3.417 4.391 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 20 +ATOM 31461 H HG13 . VAL A 1 66 ? 2.354 -4.145 2.793 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 20 +ATOM 31462 H HG21 . VAL A 1 66 ? -0.421 -4.833 5.091 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 20 +ATOM 31463 H HG22 . VAL A 1 66 ? -1.548 -3.665 4.401 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 20 +ATOM 31464 H HG23 . VAL A 1 66 ? -0.168 -3.107 5.343 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 20 +ATOM 31465 N N . TYR A 1 67 ? 2.159 -1.601 1.560 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 20 +ATOM 31466 C CA . TYR A 1 67 ? 3.028 -1.408 0.434 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 20 +ATOM 31467 C C . TYR A 1 67 ? 4.485 -1.499 0.833 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 20 +ATOM 31468 O O . TYR A 1 67 ? 4.823 -1.349 2.012 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 20 +ATOM 31469 C CB . TYR A 1 67 ? 2.737 -0.060 -0.262 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 20 +ATOM 31470 C CG . TYR A 1 67 ? 2.855 1.197 0.600 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 20 +ATOM 31471 C CD1 . TYR A 1 67 ? 4.075 1.628 1.116 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 20 +ATOM 31472 C CD2 . TYR A 1 67 ? 1.742 1.963 0.865 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 20 +ATOM 31473 C CE1 . TYR A 1 67 ? 4.165 2.777 1.866 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 20 +ATOM 31474 C CE2 . TYR A 1 67 ? 1.824 3.113 1.608 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 20 +ATOM 31475 C CZ . TYR A 1 67 ? 3.037 3.516 2.110 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 20 +ATOM 31476 O OH . TYR A 1 67 ? 3.120 4.665 2.856 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 20 +ATOM 31477 H H . TYR A 1 67 ? 2.405 -1.200 2.426 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 20 +ATOM 31478 H HA . TYR A 1 67 ? 2.820 -2.198 -0.272 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 20 +ATOM 31479 H HB2 . TYR A 1 67 ? 3.392 0.067 -1.110 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 20 +ATOM 31480 H HB3 . TYR A 1 67 ? 1.722 -0.095 -0.630 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 20 +ATOM 31481 H HD1 . TYR A 1 67 ? 4.962 1.043 0.920 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 20 +ATOM 31482 H HD2 . TYR A 1 67 ? 0.788 1.644 0.474 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 20 +ATOM 31483 H HE1 . TYR A 1 67 ? 5.121 3.092 2.258 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 20 +ATOM 31484 H HE2 . TYR A 1 67 ? 0.930 3.691 1.789 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 20 +ATOM 31485 H HH . TYR A 1 67 ? 3.896 5.159 2.586 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 20 +ATOM 31486 N N . GLN A 1 68 ? 5.328 -1.767 -0.126 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 20 +ATOM 31487 C CA . GLN A 1 68 ? 6.749 -1.741 0.082 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 20 +ATOM 31488 C C . GLN A 1 68 ? 7.294 -0.531 -0.655 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 20 +ATOM 31489 O O . GLN A 1 68 ? 6.802 -0.179 -1.737 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 20 +ATOM 31490 C CB . GLN A 1 68 ? 7.446 -3.030 -0.418 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 20 +ATOM 31491 C CG . GLN A 1 68 ? 7.358 -3.263 -1.930 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 20 +ATOM 31492 C CD . GLN A 1 68 ? 8.139 -4.482 -2.412 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 20 +ATOM 31493 O OE1 . GLN A 1 68 ? 7.769 -5.115 -3.407 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 20 +ATOM 31494 N NE2 . GLN A 1 68 ? 9.220 -4.811 -1.744 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 20 +ATOM 31495 H H . GLN A 1 68 ? 4.985 -1.961 -1.029 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 20 +ATOM 31496 H HA . GLN A 1 68 ? 6.925 -1.610 1.139 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 20 +ATOM 31497 H HB2 . GLN A 1 68 ? 8.492 -2.972 -0.153 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 20 +ATOM 31498 H HB3 . GLN A 1 68 ? 7.007 -3.878 0.086 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 20 +ATOM 31499 H HG2 . GLN A 1 68 ? 6.321 -3.396 -2.198 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 20 +ATOM 31500 H HG3 . GLN A 1 68 ? 7.744 -2.386 -2.430 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 20 +ATOM 31501 H HE21 . GLN A 1 68 ? 9.494 -4.273 -0.971 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 20 +ATOM 31502 H HE22 . GLN A 1 68 ? 9.736 -5.590 -2.047 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 20 +ATOM 31503 N N . VAL A 1 69 ? 8.232 0.136 -0.081 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 20 +ATOM 31504 C CA . VAL A 1 69 ? 8.825 1.259 -0.747 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 20 +ATOM 31505 C C . VAL A 1 69 ? 10.106 0.815 -1.391 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 20 +ATOM 31506 O O . VAL A 1 69 ? 11.067 0.453 -0.707 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 20 +ATOM 31507 C CB . VAL A 1 69 ? 9.080 2.464 0.206 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 20 +ATOM 31508 C CG1 . VAL A 1 69 ? 9.777 3.610 -0.531 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 20 +ATOM 31509 C CG2 . VAL A 1 69 ? 7.769 2.953 0.785 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 20 +ATOM 31510 H H . VAL A 1 69 ? 8.561 -0.146 0.803 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 20 +ATOM 31511 H HA . VAL A 1 69 ? 8.143 1.564 -1.528 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 20 +ATOM 31512 H HB . VAL A 1 69 ? 9.713 2.137 1.018 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 20 +ATOM 31513 H HG11 . VAL A 1 69 ? 9.158 3.939 -1.352 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 20 +ATOM 31514 H HG12 . VAL A 1 69 ? 10.726 3.266 -0.912 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 20 +ATOM 31515 H HG13 . VAL A 1 69 ? 9.938 4.432 0.152 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 20 +ATOM 31516 H HG21 . VAL A 1 69 ? 7.291 2.143 1.316 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 20 +ATOM 31517 H HG22 . VAL A 1 69 ? 7.122 3.296 -0.008 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 20 +ATOM 31518 H HG23 . VAL A 1 69 ? 7.963 3.763 1.472 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 20 +ATOM 31519 N N . ILE A 1 70 ? 10.120 0.804 -2.691 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 20 +ATOM 31520 C CA . ILE A 1 70 ? 11.279 0.399 -3.401 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 20 +ATOM 31521 C C . ILE A 1 70 ? 12.116 1.633 -3.669 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 20 +ATOM 31522 O O . ILE A 1 70 ? 11.866 2.376 -4.627 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 20 +ATOM 31523 C CB . ILE A 1 70 ? 10.937 -0.298 -4.743 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 20 +ATOM 31524 C CG1 . ILE A 1 70 ? 9.879 -1.400 -4.531 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 20 +ATOM 31525 C CG2 . ILE A 1 70 ? 12.207 -0.898 -5.338 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 20 +ATOM 31526 C CD1 . ILE A 1 70 ? 9.441 -2.099 -5.808 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 20 +ATOM 31527 H H . ILE A 1 70 ? 9.332 1.101 -3.201 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 20 +ATOM 31528 H HA . ILE A 1 70 ? 11.834 -0.284 -2.776 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 20 +ATOM 31529 H HB . ILE A 1 70 ? 10.551 0.442 -5.428 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 20 +ATOM 31530 H HG12 . ILE A 1 70 ? 10.275 -2.152 -3.867 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 20 +ATOM 31531 H HG13 . ILE A 1 70 ? 9.003 -0.959 -4.078 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 20 +ATOM 31532 H HG21 . ILE A 1 70 ? 12.628 -1.608 -4.642 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 20 +ATOM 31533 H HG22 . ILE A 1 70 ? 12.922 -0.113 -5.531 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 20 +ATOM 31534 H HG23 . ILE A 1 70 ? 11.970 -1.402 -6.263 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 20 +ATOM 31535 H HD11 . ILE A 1 70 ? 10.299 -2.553 -6.280 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 20 +ATOM 31536 H HD12 . ILE A 1 70 ? 9.001 -1.377 -6.480 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 20 +ATOM 31537 H HD13 . ILE A 1 70 ? 8.713 -2.860 -5.570 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 20 +ATOM 31538 N N . ASP A 1 71 ? 13.082 1.864 -2.804 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 20 +ATOM 31539 C CA . ASP A 1 71 ? 13.980 3.021 -2.889 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 20 +ATOM 31540 C C . ASP A 1 71 ? 14.835 2.952 -4.150 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 20 +ATOM 31541 O O . ASP A 1 71 ? 15.163 3.966 -4.757 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 20 +ATOM 31542 C CB . ASP A 1 71 ? 14.849 3.092 -1.618 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 20 +ATOM 31543 C CG . ASP A 1 71 ? 15.953 4.134 -1.668 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 20 +ATOM 31544 O OD1 . ASP A 1 71 ? 15.667 5.336 -1.668 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 20 +ATOM 31545 O OD2 . ASP A 1 71 ? 17.146 3.750 -1.663 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 20 +ATOM 31546 H H . ASP A 1 71 ? 13.199 1.231 -2.061 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 20 +ATOM 31547 H HA . ASP A 1 71 ? 13.365 3.906 -2.940 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 20 +ATOM 31548 H HB2 . ASP A 1 71 ? 14.214 3.325 -0.778 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 20 +ATOM 31549 H HB3 . ASP A 1 71 ? 15.296 2.123 -1.451 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 20 +ATOM 31550 N N . GLU A 1 72 ? 15.119 1.734 -4.568 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 20 +ATOM 31551 C CA . GLU A 1 72 ? 15.915 1.451 -5.764 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 20 +ATOM 31552 C C . GLU A 1 72 ? 15.255 2.020 -7.021 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 20 +ATOM 31553 O O . GLU A 1 72 ? 15.921 2.552 -7.900 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 20 +ATOM 31554 C CB . GLU A 1 72 ? 16.014 -0.046 -5.954 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 20 +ATOM 31555 C CG . GLU A 1 72 ? 16.592 -0.800 -4.790 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 20 +ATOM 31556 C CD . GLU A 1 72 ? 16.483 -2.273 -5.006 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 20 +ATOM 31557 O OE1 . GLU A 1 72 ? 17.329 -2.848 -5.716 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 20 +ATOM 31558 O OE2 . GLU A 1 72 ? 15.525 -2.881 -4.499 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 20 +ATOM 31559 H H . GLU A 1 72 ? 14.792 0.986 -4.026 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 20 +ATOM 31560 H HA . GLU A 1 72 ? 16.910 1.849 -5.640 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 20 +ATOM 31561 H HB2 . GLU A 1 72 ? 15.027 -0.438 -6.147 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 20 +ATOM 31562 H HB3 . GLU A 1 72 ? 16.632 -0.238 -6.818 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 20 +ATOM 31563 H HG2 . GLU A 1 72 ? 17.632 -0.539 -4.673 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 20 +ATOM 31564 H HG3 . GLU A 1 72 ? 16.047 -0.543 -3.893 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 20 +ATOM 31565 N N . LYS A 1 73 ? 13.948 1.903 -7.086 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 20 +ATOM 31566 C CA . LYS A 1 73 ? 13.199 2.284 -8.271 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 20 +ATOM 31567 C C . LYS A 1 73 ? 12.416 3.569 -8.038 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 20 +ATOM 31568 O O . LYS A 1 73 ? 11.789 4.095 -8.955 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 20 +ATOM 31569 C CB . LYS A 1 73 ? 12.252 1.143 -8.649 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 20 +ATOM 31570 C CG . LYS A 1 73 ? 12.954 -0.169 -8.949 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 20 +ATOM 31571 C CD . LYS A 1 73 ? 11.968 -1.310 -9.123 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 20 +ATOM 31572 C CE . LYS A 1 73 ? 12.696 -2.630 -9.311 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 20 +ATOM 31573 N NZ . LYS A 1 73 ? 11.771 -3.777 -9.345 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 20 +ATOM 31574 H H . LYS A 1 73 ? 13.465 1.559 -6.306 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 20 +ATOM 31575 H HA . LYS A 1 73 ? 13.897 2.432 -9.081 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 20 +ATOM 31576 H HB2 . LYS A 1 73 ? 11.611 0.962 -7.800 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 20 +ATOM 31577 H HB3 . LYS A 1 73 ? 11.660 1.427 -9.506 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 20 +ATOM 31578 H HG2 . LYS A 1 73 ? 13.523 -0.061 -9.861 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 20 +ATOM 31579 H HG3 . LYS A 1 73 ? 13.623 -0.402 -8.133 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 20 +ATOM 31580 H HD2 . LYS A 1 73 ? 11.333 -1.374 -8.251 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 20 +ATOM 31581 H HD3 . LYS A 1 73 ? 11.359 -1.119 -9.995 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 20 +ATOM 31582 H HE2 . LYS A 1 73 ? 13.242 -2.594 -10.241 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 20 +ATOM 31583 H HE3 . LYS A 1 73 ? 13.392 -2.757 -8.494 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 20 +ATOM 31584 H HZ1 . LYS A 1 73 ? 11.088 -3.718 -10.126 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 20 +ATOM 31585 H HZ2 . LYS A 1 73 ? 11.216 -3.859 -8.468 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 20 +ATOM 31586 H HZ3 . LYS A 1 73 ? 12.291 -4.670 -9.450 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 20 +ATOM 31587 N N . VAL A 1 74 ? 12.459 4.060 -6.792 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 20 +ATOM 31588 C CA . VAL A 1 74 ? 11.752 5.279 -6.366 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 20 +ATOM 31589 C C . VAL A 1 74 ? 10.218 5.091 -6.572 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 20 +ATOM 31590 O O . VAL A 1 74 ? 9.476 5.994 -6.972 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 20 +ATOM 31591 C CB . VAL A 1 74 ? 12.314 6.557 -7.110 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 20 +ATOM 31592 C CG1 . VAL A 1 74 ? 11.711 7.854 -6.573 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 20 +ATOM 31593 C CG2 . VAL A 1 74 ? 13.831 6.614 -6.981 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 20 +ATOM 31594 H H . VAL A 1 74 ? 12.992 3.583 -6.122 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 20 +ATOM 31595 H HA . VAL A 1 74 ? 11.927 5.373 -5.303 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 20 +ATOM 31596 H HB . VAL A 1 74 ? 12.071 6.476 -8.159 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 20 +ATOM 31597 H HG11 . VAL A 1 74 ? 10.641 7.835 -6.716 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 20 +ATOM 31598 H HG12 . VAL A 1 74 ? 12.132 8.696 -7.101 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 20 +ATOM 31599 H HG13 . VAL A 1 74 ? 11.931 7.944 -5.519 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 20 +ATOM 31600 H HG21 . VAL A 1 74 ? 14.102 6.627 -5.937 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 20 +ATOM 31601 H HG22 . VAL A 1 74 ? 14.194 7.516 -7.449 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 20 +ATOM 31602 H HG23 . VAL A 1 74 ? 14.270 5.751 -7.458 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 20 +ATOM 31603 N N . VAL A 1 75 ? 9.748 3.918 -6.232 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 20 +ATOM 31604 C CA . VAL A 1 75 ? 8.357 3.600 -6.401 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 20 +ATOM 31605 C C . VAL A 1 75 ? 7.822 2.890 -5.165 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 20 +ATOM 31606 O O . VAL A 1 75 ? 8.508 2.073 -4.545 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 20 +ATOM 31607 C CB . VAL A 1 75 ? 8.098 2.743 -7.701 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 20 +ATOM 31608 C CG1 . VAL A 1 75 ? 8.800 1.403 -7.641 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 20 +ATOM 31609 C CG2 . VAL A 1 75 ? 6.609 2.547 -7.965 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 20 +ATOM 31610 H H . VAL A 1 75 ? 10.341 3.256 -5.816 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 20 +ATOM 31611 H HA . VAL A 1 75 ? 7.829 4.537 -6.499 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 20 +ATOM 31612 H HB . VAL A 1 75 ? 8.519 3.289 -8.533 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 20 +ATOM 31613 H HG11 . VAL A 1 75 ? 8.401 0.823 -6.822 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 20 +ATOM 31614 H HG12 . VAL A 1 75 ? 9.848 1.584 -7.462 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 20 +ATOM 31615 H HG13 . VAL A 1 75 ? 8.667 0.873 -8.572 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 20 +ATOM 31616 H HG21 . VAL A 1 75 ? 6.130 3.508 -8.085 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 20 +ATOM 31617 H HG22 . VAL A 1 75 ? 6.164 2.028 -7.128 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 20 +ATOM 31618 H HG23 . VAL A 1 75 ? 6.474 1.961 -8.862 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 20 +ATOM 31619 N N . VAL A 1 76 ? 6.651 3.254 -4.793 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 20 +ATOM 31620 C CA . VAL A 1 76 ? 5.939 2.661 -3.722 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 20 +ATOM 31621 C C . VAL A 1 76 ? 5.047 1.588 -4.334 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 20 +ATOM 31622 O O . VAL A 1 76 ? 4.160 1.890 -5.141 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 20 +ATOM 31623 C CB . VAL A 1 76 ? 5.090 3.729 -2.996 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 20 +ATOM 31624 C CG1 . VAL A 1 76 ? 4.298 3.124 -1.874 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 20 +ATOM 31625 C CG2 . VAL A 1 76 ? 5.974 4.853 -2.472 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 20 +ATOM 31626 H H . VAL A 1 76 ? 6.200 3.976 -5.284 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 20 +ATOM 31627 H HA . VAL A 1 76 ? 6.641 2.216 -3.032 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 20 +ATOM 31628 H HB . VAL A 1 76 ? 4.401 4.153 -3.710 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 20 +ATOM 31629 H HG11 . VAL A 1 76 ? 4.971 2.672 -1.161 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 20 +ATOM 31630 H HG12 . VAL A 1 76 ? 3.635 2.368 -2.270 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 20 +ATOM 31631 H HG13 . VAL A 1 76 ? 3.722 3.894 -1.385 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 20 +ATOM 31632 H HG21 . VAL A 1 76 ? 6.706 4.448 -1.789 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 20 +ATOM 31633 H HG22 . VAL A 1 76 ? 5.366 5.580 -1.956 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 20 +ATOM 31634 H HG23 . VAL A 1 76 ? 6.480 5.328 -3.299 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 20 +ATOM 31635 N N . PHE A 1 77 ? 5.306 0.366 -3.992 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 20 +ATOM 31636 C CA . PHE A 1 77 ? 4.640 -0.757 -4.590 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 20 +ATOM 31637 C C . PHE A 1 77 ? 3.652 -1.367 -3.606 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 20 +ATOM 31638 O O . PHE A 1 77 ? 4.049 -1.945 -2.588 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 20 +ATOM 31639 C CB . PHE A 1 77 ? 5.706 -1.777 -5.014 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 20 +ATOM 31640 C CG . PHE A 1 77 ? 5.204 -2.996 -5.731 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 20 +ATOM 31641 C CD1 . PHE A 1 77 ? 4.987 -2.967 -7.096 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 20 +ATOM 31642 C CD2 . PHE A 1 77 ? 4.985 -4.179 -5.046 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 20 +ATOM 31643 C CE1 . PHE A 1 77 ? 4.559 -4.094 -7.763 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 20 +ATOM 31644 C CE2 . PHE A 1 77 ? 4.553 -5.305 -5.704 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 20 +ATOM 31645 C CZ . PHE A 1 77 ? 4.343 -5.265 -7.066 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 20 +ATOM 31646 H H . PHE A 1 77 ? 5.964 0.190 -3.280 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 20 +ATOM 31647 H HA . PHE A 1 77 ? 4.115 -0.421 -5.471 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 20 +ATOM 31648 H HB2 . PHE A 1 77 ? 6.408 -1.288 -5.673 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 20 +ATOM 31649 H HB3 . PHE A 1 77 ? 6.236 -2.102 -4.132 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 20 +ATOM 31650 H HD1 . PHE A 1 77 ? 5.154 -2.051 -7.643 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 20 +ATOM 31651 H HD2 . PHE A 1 77 ? 5.149 -4.211 -3.979 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 20 +ATOM 31652 H HE1 . PHE A 1 77 ? 4.394 -4.060 -8.830 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 20 +ATOM 31653 H HE2 . PHE A 1 77 ? 4.384 -6.219 -5.156 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 20 +ATOM 31654 H HZ . PHE A 1 77 ? 4.008 -6.152 -7.583 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 20 +ATOM 31655 N N . VAL A 1 78 ? 2.381 -1.208 -3.894 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 20 +ATOM 31656 C CA . VAL A 1 78 ? 1.326 -1.749 -3.061 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 20 +ATOM 31657 C C . VAL A 1 78 ? 1.256 -3.257 -3.234 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 20 +ATOM 31658 O O . VAL A 1 78 ? 1.102 -3.750 -4.347 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 20 +ATOM 31659 C CB . VAL A 1 78 ? -0.048 -1.108 -3.396 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 20 +ATOM 31660 C CG1 . VAL A 1 78 ? -1.153 -1.655 -2.498 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 20 +ATOM 31661 C CG2 . VAL A 1 78 ? 0.031 0.411 -3.296 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 20 +ATOM 31662 H H . VAL A 1 78 ? 2.137 -0.705 -4.705 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 20 +ATOM 31663 H HA . VAL A 1 78 ? 1.571 -1.536 -2.032 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 20 +ATOM 31664 H HB . VAL A 1 78 ? -0.298 -1.365 -4.414 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 20 +ATOM 31665 H HG11 . VAL A 1 78 ? -2.092 -1.183 -2.749 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 20 +ATOM 31666 H HG12 . VAL A 1 78 ? -0.913 -1.452 -1.465 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 20 +ATOM 31667 H HG13 . VAL A 1 78 ? -1.237 -2.722 -2.643 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 20 +ATOM 31668 H HG21 . VAL A 1 78 ? 0.372 0.696 -2.312 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 20 +ATOM 31669 H HG22 . VAL A 1 78 ? -0.946 0.835 -3.474 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 20 +ATOM 31670 H HG23 . VAL A 1 78 ? 0.722 0.784 -4.037 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 20 +ATOM 31671 N N . ILE A 1 79 ? 1.379 -3.973 -2.138 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 20 +ATOM 31672 C CA . ILE A 1 79 ? 1.378 -5.422 -2.163 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 20 +ATOM 31673 C C . ILE A 1 79 ? -0.050 -5.937 -2.013 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 20 +ATOM 31674 O O . ILE A 1 79 ? -0.471 -6.877 -2.689 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 20 +ATOM 31675 C CB . ILE A 1 79 ? 2.232 -5.997 -0.994 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 20 +ATOM 31676 C CG1 . ILE A 1 79 ? 3.666 -5.439 -1.040 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 20 +ATOM 31677 C CG2 . ILE A 1 79 ? 2.252 -7.527 -1.041 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 20 +ATOM 31678 C CD1 . ILE A 1 79 ? 4.528 -5.861 0.139 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 20 +ATOM 31679 H H . ILE A 1 79 ? 1.465 -3.511 -1.275 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 20 +ATOM 31680 H HA . ILE A 1 79 ? 1.796 -5.759 -3.100 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 20 +ATOM 31681 H HB . ILE A 1 79 ? 1.770 -5.697 -0.066 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 20 +ATOM 31682 H HG12 . ILE A 1 79 ? 4.150 -5.784 -1.941 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 20 +ATOM 31683 H HG13 . ILE A 1 79 ? 3.622 -4.360 -1.054 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 20 +ATOM 31684 H HG21 . ILE A 1 79 ? 2.678 -7.853 -1.977 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 20 +ATOM 31685 H HG22 . ILE A 1 79 ? 1.245 -7.907 -0.952 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 20 +ATOM 31686 H HG23 . ILE A 1 79 ? 2.849 -7.902 -0.225 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 20 +ATOM 31687 H HD11 . ILE A 1 79 ? 4.591 -6.939 0.173 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 20 +ATOM 31688 H HD12 . ILE A 1 79 ? 4.080 -5.507 1.058 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 20 +ATOM 31689 H HD13 . ILE A 1 79 ? 5.519 -5.446 0.037 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 20 +ATOM 31690 N N . SER A 1 80 ? -0.793 -5.323 -1.121 1.00 0.00 ? ? ? ? ? ? 77 SER A N 20 +ATOM 31691 C CA . SER A 1 80 ? -2.148 -5.732 -0.839 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 20 +ATOM 31692 C C . SER A 1 80 ? -2.952 -4.565 -0.292 1.00 0.00 ? ? ? ? ? ? 77 SER A C 20 +ATOM 31693 O O . SER A 1 80 ? -2.397 -3.659 0.351 1.00 0.00 ? ? ? ? ? ? 77 SER A O 20 +ATOM 31694 C CB . SER A 1 80 ? -2.155 -6.909 0.157 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 20 +ATOM 31695 O OG . SER A 1 80 ? -1.526 -8.060 -0.404 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 20 +ATOM 31696 H H . SER A 1 80 ? -0.439 -4.552 -0.624 1.00 0.00 ? ? ? ? ? ? 77 SER A H 20 +ATOM 31697 H HA . SER A 1 80 ? -2.596 -6.061 -1.765 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 20 +ATOM 31698 H HB2 . SER A 1 80 ? -1.600 -6.620 1.038 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 20 +ATOM 31699 H HB3 . SER A 1 80 ? -3.172 -7.157 0.425 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 20 +ATOM 31700 H HG . SER A 1 80 ? -1.147 -7.769 -1.248 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 20 +ATOM 31701 N N . VAL A 1 81 ? -4.236 -4.578 -0.560 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 20 +ATOM 31702 C CA . VAL A 1 81 ? -5.140 -3.552 -0.112 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 20 +ATOM 31703 C C . VAL A 1 81 ? -6.489 -4.200 0.210 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 20 +ATOM 31704 O O . VAL A 1 81 ? -6.955 -5.072 -0.530 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 20 +ATOM 31705 C CB . VAL A 1 81 ? -5.291 -2.415 -1.185 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 20 +ATOM 31706 C CG1 . VAL A 1 81 ? -5.804 -2.942 -2.522 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 20 +ATOM 31707 C CG2 . VAL A 1 81 ? -6.169 -1.285 -0.679 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 20 +ATOM 31708 H H . VAL A 1 81 ? -4.635 -5.313 -1.075 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 20 +ATOM 31709 H HA . VAL A 1 81 ? -4.735 -3.133 0.799 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 20 +ATOM 31710 H HB . VAL A 1 81 ? -4.303 -2.017 -1.370 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 20 +ATOM 31711 H HG11 . VAL A 1 81 ? -5.109 -3.671 -2.911 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 20 +ATOM 31712 H HG12 . VAL A 1 81 ? -5.902 -2.127 -3.223 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 20 +ATOM 31713 H HG13 . VAL A 1 81 ? -6.767 -3.409 -2.378 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 20 +ATOM 31714 H HG21 . VAL A 1 81 ? -5.731 -0.863 0.213 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 20 +ATOM 31715 H HG22 . VAL A 1 81 ? -7.153 -1.668 -0.454 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 20 +ATOM 31716 H HG23 . VAL A 1 81 ? -6.244 -0.521 -1.439 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 20 +ATOM 31717 N N . GLY A 1 82 ? -7.064 -3.851 1.323 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 20 +ATOM 31718 C CA . GLY A 1 82 ? -8.329 -4.421 1.699 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 20 +ATOM 31719 C C . GLY A 1 82 ? -8.465 -4.503 3.187 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 20 +ATOM 31720 O O . GLY A 1 82 ? -7.935 -3.663 3.902 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 20 +ATOM 31721 H H . GLY A 1 82 ? -6.627 -3.206 1.928 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 20 +ATOM 31722 H HA2 . GLY A 1 82 ? -9.132 -3.829 1.288 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 20 +ATOM 31723 H HA3 . GLY A 1 82 ? -8.389 -5.420 1.293 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 20 +ATOM 31724 N N . LYS A 1 83 ? -9.154 -5.491 3.666 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 20 +ATOM 31725 C CA . LYS A 1 83 ? -9.311 -5.654 5.084 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 20 +ATOM 31726 C C . LYS A 1 83 ? -8.236 -6.578 5.631 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 20 +ATOM 31727 O O . LYS A 1 83 ? -7.835 -7.539 4.978 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 20 +ATOM 31728 C CB . LYS A 1 83 ? -10.721 -6.146 5.444 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 20 +ATOM 31729 C CG . LYS A 1 83 ? -11.823 -5.179 5.008 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 20 +ATOM 31730 C CD . LYS A 1 83 ? -13.207 -5.581 5.518 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 20 +ATOM 31731 C CE . LYS A 1 83 ? -13.684 -6.916 4.961 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 20 +ATOM 31732 N NZ . LYS A 1 83 ? -15.045 -7.253 5.443 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 20 +ATOM 31733 H H . LYS A 1 83 ? -9.563 -6.143 3.057 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 20 +ATOM 31734 H HA . LYS A 1 83 ? -9.158 -4.680 5.527 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 20 +ATOM 31735 H HB2 . LYS A 1 83 ? -10.889 -7.099 4.965 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 20 +ATOM 31736 H HB3 . LYS A 1 83 ? -10.785 -6.273 6.515 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 20 +ATOM 31737 H HG2 . LYS A 1 83 ? -11.590 -4.196 5.393 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 20 +ATOM 31738 H HG3 . LYS A 1 83 ? -11.842 -5.140 3.929 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 20 +ATOM 31739 H HD2 . LYS A 1 83 ? -13.164 -5.658 6.595 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 20 +ATOM 31740 H HD3 . LYS A 1 83 ? -13.913 -4.811 5.244 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 20 +ATOM 31741 H HE2 . LYS A 1 83 ? -13.699 -6.859 3.882 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 20 +ATOM 31742 H HE3 . LYS A 1 83 ? -12.999 -7.690 5.271 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 20 +ATOM 31743 H HZ1 . LYS A 1 83 ? -15.743 -6.550 5.124 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 20 +ATOM 31744 H HZ2 . LYS A 1 83 ? -15.069 -7.292 6.483 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 20 +ATOM 31745 H HZ3 . LYS A 1 83 ? -15.326 -8.185 5.078 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 20 +ATOM 31746 N N . ALA A 1 84 ? -7.747 -6.255 6.792 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 20 +ATOM 31747 C CA . ALA A 1 84 ? -6.720 -7.011 7.441 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 20 +ATOM 31748 C C . ALA A 1 84 ? -7.098 -7.141 8.882 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 20 +ATOM 31749 O O . ALA A 1 84 ? -7.208 -6.133 9.587 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 20 +ATOM 31750 C CB . ALA A 1 84 ? -5.391 -6.289 7.321 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 20 +ATOM 31751 H H . ALA A 1 84 ? -8.097 -5.483 7.282 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 20 +ATOM 31752 H HA . ALA A 1 84 ? -6.639 -7.980 6.971 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 20 +ATOM 31753 H HB1 . ALA A 1 84 ? -4.626 -6.855 7.830 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 20 +ATOM 31754 H HB2 . ALA A 1 84 ? -5.472 -5.312 7.774 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 20 +ATOM 31755 H HB3 . ALA A 1 84 ? -5.129 -6.185 6.278 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 20 +ATOM 31756 N N . GLU A 1 85 ? -7.321 -8.333 9.326 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 20 +ATOM 31757 C CA . GLU A 1 85 ? -7.753 -8.527 10.673 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 20 +ATOM 31758 C C . GLU A 1 85 ? -6.573 -8.965 11.523 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 20 +ATOM 31759 O O . GLU A 1 85 ? -6.328 -8.425 12.607 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 20 +ATOM 31760 C CB . GLU A 1 85 ? -8.889 -9.550 10.723 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 20 +ATOM 31761 C CG . GLU A 1 85 ? -9.590 -9.639 12.067 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 20 +ATOM 31762 C CD . GLU A 1 85 ? -10.250 -8.336 12.461 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 20 +ATOM 31763 O OE1 . GLU A 1 85 ? -9.595 -7.490 13.097 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 20 +ATOM 31764 O OE2 . GLU A 1 85 ? -11.446 -8.133 12.146 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 20 +ATOM 31765 H H . GLU A 1 85 ? -7.170 -9.122 8.753 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 20 +ATOM 31766 H HA . GLU A 1 85 ? -8.114 -7.580 11.043 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 20 +ATOM 31767 H HB2 . GLU A 1 85 ? -9.625 -9.288 9.976 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 20 +ATOM 31768 H HB3 . GLU A 1 85 ? -8.477 -10.520 10.487 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 20 +ATOM 31769 H HG2 . GLU A 1 85 ? -10.347 -10.408 12.023 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 20 +ATOM 31770 H HG3 . GLU A 1 85 ? -8.858 -9.898 12.818 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 20 +ATOM 31771 N N . ALA A 1 86 ? -5.810 -9.898 11.020 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 20 +ATOM 31772 C CA . ALA A 1 86 ? -4.680 -10.394 11.756 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 20 +ATOM 31773 C C . ALA A 1 86 ? -3.456 -10.583 10.883 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 20 +ATOM 31774 O O . ALA A 1 86 ? -2.401 -10.028 11.178 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 20 +ATOM 31775 C CB . ALA A 1 86 ? -5.023 -11.678 12.483 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 20 +ATOM 31776 H H . ALA A 1 86 ? -6.018 -10.246 10.118 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 20 +ATOM 31777 H HA . ALA A 1 86 ? -4.442 -9.652 12.504 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 20 +ATOM 31778 H HB1 . ALA A 1 86 ? -5.908 -11.529 13.085 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 20 +ATOM 31779 H HB2 . ALA A 1 86 ? -4.197 -11.960 13.117 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 20 +ATOM 31780 H HB3 . ALA A 1 86 ? -5.202 -12.457 11.760 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 20 +ATOM 31781 N N . SER A 1 87 ? -3.574 -11.330 9.809 1.00 0.00 ? ? ? ? ? ? 84 SER A N 20 +ATOM 31782 C CA . SER A 1 87 ? -2.393 -11.632 9.024 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 20 +ATOM 31783 C C . SER A 1 87 ? -2.672 -11.718 7.529 1.00 0.00 ? ? ? ? ? ? 84 SER A C 20 +ATOM 31784 O O . SER A 1 87 ? -1.775 -12.048 6.756 1.00 0.00 ? ? ? ? ? ? 84 SER A O 20 +ATOM 31785 C CB . SER A 1 87 ? -1.807 -12.945 9.522 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 20 +ATOM 31786 O OG . SER A 1 87 ? -2.793 -13.978 9.489 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 20 +ATOM 31787 H H . SER A 1 87 ? -4.446 -11.701 9.548 1.00 0.00 ? ? ? ? ? ? 84 SER A H 20 +ATOM 31788 H HA . SER A 1 87 ? -1.662 -10.861 9.213 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 20 +ATOM 31789 H HB2 . SER A 1 87 ? -0.981 -13.224 8.885 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 20 +ATOM 31790 H HB3 . SER A 1 87 ? -1.459 -12.825 10.537 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 20 +ATOM 31791 H HG . SER A 1 87 ? -2.881 -14.274 8.573 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 20 +ATOM 31792 N N . GLU A 1 88 ? -3.867 -11.329 7.125 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 20 +ATOM 31793 C CA . GLU A 1 88 ? -4.357 -11.502 5.751 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 20 +ATOM 31794 C C . GLU A 1 88 ? -3.440 -10.844 4.732 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 20 +ATOM 31795 O O . GLU A 1 88 ? -3.032 -11.457 3.767 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 20 +ATOM 31796 C CB . GLU A 1 88 ? -5.773 -10.907 5.617 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 20 +ATOM 31797 C CG . GLU A 1 88 ? -6.891 -11.629 6.386 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 20 +ATOM 31798 C CD . GLU A 1 88 ? -6.643 -11.741 7.868 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 20 +ATOM 31799 O OE1 . GLU A 1 88 ? -6.201 -10.744 8.494 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 20 +ATOM 31800 O OE2 . GLU A 1 88 ? -6.807 -12.836 8.423 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 20 +ATOM 31801 H H . GLU A 1 88 ? -4.500 -10.920 7.760 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 20 +ATOM 31802 H HA . GLU A 1 88 ? -4.417 -12.560 5.545 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 20 +ATOM 31803 H HB2 . GLU A 1 88 ? -5.743 -9.886 5.968 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 20 +ATOM 31804 H HB3 . GLU A 1 88 ? -6.029 -10.902 4.570 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 20 +ATOM 31805 H HG2 . GLU A 1 88 ? -7.815 -11.090 6.241 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 20 +ATOM 31806 H HG3 . GLU A 1 88 ? -6.997 -12.624 5.979 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 20 +ATOM 31807 N N . VAL A 1 89 ? -3.087 -9.615 4.981 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 20 +ATOM 31808 C CA . VAL A 1 89 ? -2.232 -8.885 4.066 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 20 +ATOM 31809 C C . VAL A 1 89 ? -0.761 -8.984 4.490 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 20 +ATOM 31810 O O . VAL A 1 89 ? 0.126 -8.517 3.795 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 20 +ATOM 31811 C CB . VAL A 1 89 ? -2.655 -7.395 3.969 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 20 +ATOM 31812 C CG1 . VAL A 1 89 ? -4.085 -7.268 3.452 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 20 +ATOM 31813 C CG2 . VAL A 1 89 ? -2.514 -6.703 5.315 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 20 +ATOM 31814 H H . VAL A 1 89 ? -3.418 -9.186 5.794 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 20 +ATOM 31815 H HA . VAL A 1 89 ? -2.341 -9.336 3.091 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 20 +ATOM 31816 H HB . VAL A 1 89 ? -2.006 -6.902 3.262 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 20 +ATOM 31817 H HG11 . VAL A 1 89 ? -4.155 -7.714 2.471 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 20 +ATOM 31818 H HG12 . VAL A 1 89 ? -4.359 -6.225 3.395 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 20 +ATOM 31819 H HG13 . VAL A 1 89 ? -4.756 -7.780 4.128 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 20 +ATOM 31820 H HG21 . VAL A 1 89 ? -1.482 -6.747 5.634 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 20 +ATOM 31821 H HG22 . VAL A 1 89 ? -3.134 -7.208 6.041 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 20 +ATOM 31822 H HG23 . VAL A 1 89 ? -2.823 -5.672 5.227 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 20 +ATOM 31823 N N . TYR A 1 90 ? -0.521 -9.628 5.613 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 20 +ATOM 31824 C CA . TYR A 1 90 ? 0.818 -9.692 6.184 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 20 +ATOM 31825 C C . TYR A 1 90 ? 1.570 -10.913 5.695 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 20 +ATOM 31826 O O . TYR A 1 90 ? 2.759 -10.827 5.377 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 20 +ATOM 31827 C CB . TYR A 1 90 ? 0.772 -9.666 7.713 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 20 +ATOM 31828 C CG . TYR A 1 90 ? 0.174 -8.399 8.297 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 20 +ATOM 31829 C CD1 . TYR A 1 90 ? -1.195 -8.278 8.512 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 20 +ATOM 31830 C CD2 . TYR A 1 90 ? 0.981 -7.326 8.636 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 20 +ATOM 31831 C CE1 . TYR A 1 90 ? -1.736 -7.127 9.045 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 20 +ATOM 31832 C CE2 . TYR A 1 90 ? 0.447 -6.172 9.172 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 20 +ATOM 31833 C CZ . TYR A 1 90 ? -0.909 -6.077 9.373 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 20 +ATOM 31834 O OH . TYR A 1 90 ? -1.444 -4.922 9.906 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 20 +ATOM 31835 H H . TYR A 1 90 ? -1.260 -10.110 6.041 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 20 +ATOM 31836 H HA . TYR A 1 90 ? 1.349 -8.816 5.841 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 20 +ATOM 31837 H HB2 . TYR A 1 90 ? 0.199 -10.510 8.059 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 20 +ATOM 31838 H HB3 . TYR A 1 90 ? 1.780 -9.764 8.091 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 20 +ATOM 31839 H HD1 . TYR A 1 90 ? -1.844 -9.100 8.251 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 20 +ATOM 31840 H HD2 . TYR A 1 90 ? 2.047 -7.400 8.477 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 20 +ATOM 31841 H HE1 . TYR A 1 90 ? -2.801 -7.052 9.206 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 20 +ATOM 31842 H HE2 . TYR A 1 90 ? 1.092 -5.348 9.431 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 20 +ATOM 31843 H HH . TYR A 1 90 ? -1.083 -4.165 9.433 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 20 +ATOM 31844 N N . SER A 1 91 ? 0.877 -12.045 5.606 1.00 0.00 ? ? ? ? ? ? 88 SER A N 20 +ATOM 31845 C CA . SER A 1 91 ? 1.485 -13.272 5.128 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 20 +ATOM 31846 C C . SER A 1 91 ? 1.925 -13.098 3.697 1.00 0.00 ? ? ? ? ? ? 88 SER A C 20 +ATOM 31847 O O . SER A 1 91 ? 3.037 -13.461 3.316 1.00 0.00 ? ? ? ? ? ? 88 SER A O 20 +ATOM 31848 C CB . SER A 1 91 ? 0.486 -14.422 5.238 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 20 +ATOM 31849 O OG . SER A 1 91 ? -0.773 -14.073 4.660 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 20 +ATOM 31850 H H . SER A 1 91 ? -0.071 -12.082 5.864 1.00 0.00 ? ? ? ? ? ? 88 SER A H 20 +ATOM 31851 H HA . SER A 1 91 ? 2.342 -13.492 5.745 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 20 +ATOM 31852 H HB2 . SER A 1 91 ? 0.873 -15.282 4.713 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 20 +ATOM 31853 H HB3 . SER A 1 91 ? 0.338 -14.666 6.279 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 20 +ATOM 31854 H HG . SER A 1 91 ? -0.746 -14.259 3.704 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 20 +ATOM 31855 N N . GLU A 1 92 ? 1.066 -12.460 2.938 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 20 +ATOM 31856 C CA . GLU A 1 92 ? 1.282 -12.225 1.541 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 20 +ATOM 31857 C C . GLU A 1 92 ? 2.473 -11.301 1.356 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 20 +ATOM 31858 O O . GLU A 1 92 ? 3.246 -11.449 0.423 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 20 +ATOM 31859 C CB . GLU A 1 92 ? 0.033 -11.595 0.927 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 20 +ATOM 31860 C CG . GLU A 1 92 ? -1.275 -12.305 1.288 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 20 +ATOM 31861 C CD . GLU A 1 92 ? -1.248 -13.795 1.033 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 20 +ATOM 31862 O OE1 . GLU A 1 92 ? -1.563 -14.232 -0.098 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 20 +ATOM 31863 O OE2 . GLU A 1 92 ? -0.898 -14.561 1.960 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 20 +ATOM 31864 H H . GLU A 1 92 ? 0.231 -12.157 3.353 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 20 +ATOM 31865 H HA . GLU A 1 92 ? 1.473 -13.169 1.055 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 20 +ATOM 31866 H HB2 . GLU A 1 92 ? -0.036 -10.573 1.269 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 20 +ATOM 31867 H HB3 . GLU A 1 92 ? 0.137 -11.593 -0.148 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 20 +ATOM 31868 H HG2 . GLU A 1 92 ? -1.477 -12.146 2.336 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 20 +ATOM 31869 H HG3 . GLU A 1 92 ? -2.072 -11.867 0.704 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 20 +ATOM 31870 N N . ALA A 1 93 ? 2.629 -10.382 2.289 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 20 +ATOM 31871 C CA . ALA A 1 93 ? 3.691 -9.412 2.246 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 20 +ATOM 31872 C C . ALA A 1 93 ? 5.034 -10.041 2.608 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 20 +ATOM 31873 O O . ALA A 1 93 ? 6.020 -9.811 1.932 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 20 +ATOM 31874 C CB . ALA A 1 93 ? 3.375 -8.234 3.154 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 20 +ATOM 31875 H H . ALA A 1 93 ? 2.002 -10.369 3.042 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 20 +ATOM 31876 H HA . ALA A 1 93 ? 3.756 -9.046 1.232 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 20 +ATOM 31877 H HB1 . ALA A 1 93 ? 3.343 -8.575 4.179 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 20 +ATOM 31878 H HB2 . ALA A 1 93 ? 2.418 -7.814 2.883 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 20 +ATOM 31879 H HB3 . ALA A 1 93 ? 4.143 -7.482 3.049 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 20 +ATOM 31880 N N . VAL A 1 94 ? 5.068 -10.855 3.652 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 20 +ATOM 31881 C CA . VAL A 1 94 ? 6.328 -11.472 4.073 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 20 +ATOM 31882 C C . VAL A 1 94 ? 6.791 -12.527 3.047 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 20 +ATOM 31883 O O . VAL A 1 94 ? 7.985 -12.698 2.803 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 20 +ATOM 31884 C CB . VAL A 1 94 ? 6.255 -12.058 5.525 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 20 +ATOM 31885 C CG1 . VAL A 1 94 ? 5.277 -13.213 5.637 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 20 +ATOM 31886 C CG2 . VAL A 1 94 ? 7.635 -12.444 6.046 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 20 +ATOM 31887 H H . VAL A 1 94 ? 4.241 -11.025 4.157 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 20 +ATOM 31888 H HA . VAL A 1 94 ? 7.066 -10.683 4.050 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 20 +ATOM 31889 H HB . VAL A 1 94 ? 5.871 -11.269 6.158 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 20 +ATOM 31890 H HG11 . VAL A 1 94 ? 4.298 -12.879 5.330 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 20 +ATOM 31891 H HG12 . VAL A 1 94 ? 5.236 -13.555 6.661 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 20 +ATOM 31892 H HG13 . VAL A 1 94 ? 5.600 -14.021 4.996 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 20 +ATOM 31893 H HG21 . VAL A 1 94 ? 8.268 -11.569 6.077 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 20 +ATOM 31894 H HG22 . VAL A 1 94 ? 8.074 -13.176 5.385 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 20 +ATOM 31895 H HG23 . VAL A 1 94 ? 7.543 -12.860 7.038 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 20 +ATOM 31896 N N . LYS A 1 95 ? 5.830 -13.159 2.390 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 20 +ATOM 31897 C CA . LYS A 1 95 ? 6.107 -14.165 1.370 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 20 +ATOM 31898 C C . LYS A 1 95 ? 6.645 -13.561 0.086 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 20 +ATOM 31899 O O . LYS A 1 95 ? 7.072 -14.282 -0.823 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 20 +ATOM 31900 C CB . LYS A 1 95 ? 4.910 -15.085 1.131 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 20 +ATOM 31901 C CG . LYS A 1 95 ? 4.611 -15.996 2.316 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 20 +ATOM 31902 C CD . LYS A 1 95 ? 5.745 -16.987 2.551 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 20 +ATOM 31903 C CE . LYS A 1 95 ? 5.533 -17.817 3.806 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 20 +ATOM 31904 N NZ . LYS A 1 95 ? 5.544 -16.991 5.034 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 20 +ATOM 31905 H H . LYS A 1 95 ? 4.894 -12.958 2.608 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 20 +ATOM 31906 H HA . LYS A 1 95 ? 6.918 -14.756 1.769 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 20 +ATOM 31907 H HB2 . LYS A 1 95 ? 4.040 -14.476 0.936 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 20 +ATOM 31908 H HB3 . LYS A 1 95 ? 5.110 -15.704 0.267 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 20 +ATOM 31909 H HG2 . LYS A 1 95 ? 4.492 -15.387 3.200 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 20 +ATOM 31910 H HG3 . LYS A 1 95 ? 3.697 -16.538 2.126 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 20 +ATOM 31911 H HD2 . LYS A 1 95 ? 5.812 -17.652 1.703 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 20 +ATOM 31912 H HD3 . LYS A 1 95 ? 6.679 -16.456 2.642 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 20 +ATOM 31913 H HE2 . LYS A 1 95 ? 4.578 -18.317 3.736 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 20 +ATOM 31914 H HE3 . LYS A 1 95 ? 6.317 -18.556 3.872 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 20 +ATOM 31915 H HZ1 . LYS A 1 95 ? 6.391 -16.389 5.082 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 20 +ATOM 31916 H HZ2 . LYS A 1 95 ? 5.579 -17.618 5.862 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 20 +ATOM 31917 H HZ3 . LYS A 1 95 ? 4.688 -16.407 5.115 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 20 +ATOM 31918 N N . ARG A 1 96 ? 6.598 -12.235 -0.015 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 20 +ATOM 31919 C CA . ARG A 1 96 ? 7.188 -11.540 -1.153 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 20 +ATOM 31920 C C . ARG A 1 96 ? 8.710 -11.650 -1.061 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 20 +ATOM 31921 O O . ARG A 1 96 ? 9.418 -11.540 -2.056 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 20 +ATOM 31922 C CB . ARG A 1 96 ? 6.772 -10.067 -1.186 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 20 +ATOM 31923 C CG . ARG A 1 96 ? 5.269 -9.843 -1.178 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 20 +ATOM 31924 C CD . ARG A 1 96 ? 4.570 -10.426 -2.400 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 20 +ATOM 31925 N NE . ARG A 1 96 ? 4.918 -9.698 -3.609 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 20 +ATOM 31926 C CZ . ARG A 1 96 ? 4.105 -9.488 -4.639 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 20 +ATOM 31927 N NH1 . ARG A 1 96 ? 2.921 -10.085 -4.706 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 20 +ATOM 31928 N NH2 . ARG A 1 96 ? 4.491 -8.716 -5.624 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 20 +ATOM 31929 H H . ARG A 1 96 ? 6.166 -11.719 0.699 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 20 +ATOM 31930 H HA . ARG A 1 96 ? 6.854 -12.036 -2.053 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 20 +ATOM 31931 H HB2 . ARG A 1 96 ? 7.193 -9.567 -0.327 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 20 +ATOM 31932 H HB3 . ARG A 1 96 ? 7.179 -9.619 -2.080 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 20 +ATOM 31933 H HG2 . ARG A 1 96 ? 4.857 -10.314 -0.298 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 20 +ATOM 31934 H HG3 . ARG A 1 96 ? 5.077 -8.781 -1.135 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 20 +ATOM 31935 H HD2 . ARG A 1 96 ? 4.856 -11.460 -2.514 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 20 +ATOM 31936 H HD3 . ARG A 1 96 ? 3.503 -10.366 -2.249 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 20 +ATOM 31937 H HE . ARG A 1 96 ? 5.816 -9.293 -3.617 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 20 +ATOM 31938 H HH11 . ARG A 1 96 ? 2.583 -10.717 -4.008 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 20 +ATOM 31939 H HH12 . ARG A 1 96 ? 2.323 -9.904 -5.495 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 20 +ATOM 31940 H HH21 . ARG A 1 96 ? 5.392 -8.274 -5.645 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 20 +ATOM 31941 H HH22 . ARG A 1 96 ? 3.853 -8.536 -6.387 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 20 +ATOM 31942 N N . ILE A 1 97 ? 9.197 -11.883 0.149 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 20 +ATOM 31943 C CA . ILE A 1 97 ? 10.602 -12.090 0.381 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 20 +ATOM 31944 C C . ILE A 1 97 ? 10.849 -13.600 0.346 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 20 +ATOM 31945 O O . ILE A 1 97 ? 10.933 -14.268 1.383 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 20 +ATOM 31946 C CB . ILE A 1 97 ? 11.129 -11.469 1.744 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 20 +ATOM 31947 C CG1 . ILE A 1 97 ? 10.888 -9.939 1.835 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 20 +ATOM 31948 C CG2 . ILE A 1 97 ? 12.619 -11.750 1.943 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 20 +ATOM 31949 C CD1 . ILE A 1 97 ? 9.447 -9.507 2.058 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 20 +ATOM 31950 H H . ILE A 1 97 ? 8.589 -11.951 0.916 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 20 +ATOM 31951 H HA . ILE A 1 97 ? 11.126 -11.644 -0.453 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 20 +ATOM 31952 H HB . ILE A 1 97 ? 10.596 -11.955 2.549 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 20 +ATOM 31953 H HG12 . ILE A 1 97 ? 11.465 -9.547 2.660 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 20 +ATOM 31954 H HG13 . ILE A 1 97 ? 11.236 -9.481 0.921 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 20 +ATOM 31955 H HG21 . ILE A 1 97 ? 12.942 -11.332 2.885 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 20 +ATOM 31956 H HG22 . ILE A 1 97 ? 13.178 -11.296 1.140 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 20 +ATOM 31957 H HG23 . ILE A 1 97 ? 12.789 -12.817 1.941 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 20 +ATOM 31958 H HD11 . ILE A 1 97 ? 9.397 -8.428 2.101 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 20 +ATOM 31959 H HD12 . ILE A 1 97 ? 9.083 -9.924 2.984 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 20 +ATOM 31960 H HD13 . ILE A 1 97 ? 8.838 -9.862 1.241 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 20 +ATOM 31961 N N . LEU A 1 98 ? 10.833 -14.122 -0.855 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 20 +ATOM 31962 C CA . LEU A 1 98 ? 11.004 -15.525 -1.139 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 20 +ATOM 31963 C C . LEU A 1 98 ? 11.067 -15.663 -2.639 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 20 +ATOM 31964 O O . LEU A 1 98 ? 12.138 -15.958 -3.174 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 20 +ATOM 31965 C CB . LEU A 1 98 ? 9.835 -16.365 -0.574 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 20 +ATOM 31966 C CG . LEU A 1 98 ? 9.942 -17.890 -0.742 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 20 +ATOM 31967 C CD1 . LEU A 1 98 ? 11.177 -18.434 -0.033 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 20 +ATOM 31968 C CD2 . LEU A 1 98 ? 8.687 -18.571 -0.216 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 20 +ATOM 31969 O OXT . LEU A 1 98 ? 10.059 -15.340 -3.308 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 20 +ATOM 31970 H H . LEU A 1 98 ? 10.696 -13.527 -1.622 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 20 +ATOM 31971 H HA . LEU A 1 98 ? 11.939 -15.846 -0.704 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 20 +ATOM 31972 H HB2 . LEU A 1 98 ? 9.750 -16.150 0.482 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 20 +ATOM 31973 H HB3 . LEU A 1 98 ? 8.927 -16.037 -1.056 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 20 +ATOM 31974 H HG . LEU A 1 98 ? 10.038 -18.120 -1.793 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 20 +ATOM 31975 H HD11 . LEU A 1 98 ? 11.123 -18.190 1.018 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 20 +ATOM 31976 H HD12 . LEU A 1 98 ? 12.064 -17.992 -0.461 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 20 +ATOM 31977 H HD13 . LEU A 1 98 ? 11.217 -19.506 -0.153 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 20 +ATOM 31978 H HD21 . LEU A 1 98 ? 7.826 -18.226 -0.770 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 20 +ATOM 31979 H HD22 . LEU A 1 98 ? 8.557 -18.337 0.830 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 20 +ATOM 31980 H HD23 . LEU A 1 98 ? 8.782 -19.641 -0.332 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 20 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 -2 ? ? ? A . n +A 1 2 SER 2 -1 ? ? ? A . n +A 1 3 HIS 3 0 ? ? ? A . n +A 1 4 MET 4 1 1 MET MET A . n +A 1 5 ALA 5 2 2 ALA ALA A . n +A 1 6 TYR 6 3 3 TYR TYR A . n +A 1 7 PHE 7 4 4 PHE PHE A . n +A 1 8 LEU 8 5 5 LEU LEU A . n +A 1 9 ASP 9 6 6 ASP ASP A . n +A 1 10 PHE 10 7 7 PHE PHE A . n +A 1 11 ASP 11 8 8 ASP ASP A . n +A 1 12 GLU 12 9 9 GLU GLU A . n +A 1 13 ARG 13 10 10 ARG ARG A . n +A 1 14 ALA 14 11 11 ALA ALA A . n +A 1 15 LEU 15 12 12 LEU LEU A . n +A 1 16 LYS 16 13 13 LYS LYS A . n +A 1 17 GLU 17 14 14 GLU GLU A . n +A 1 18 TRP 18 15 15 TRP TRP A . n +A 1 19 ARG 19 16 16 ARG ARG A . n +A 1 20 LYS 20 17 17 LYS LYS A . n +A 1 21 LEU 21 18 18 LEU LEU A . n +A 1 22 GLY 22 19 19 GLY GLY A . n +A 1 23 SER 23 20 20 SER SER A . n +A 1 24 THR 24 21 21 THR THR A . n +A 1 25 VAL 25 22 22 VAL VAL A . n +A 1 26 ARG 26 23 23 ARG ARG A . n +A 1 27 GLU 27 24 24 GLU GLU A . n +A 1 28 GLN 28 25 25 GLN GLN A . n +A 1 29 LEU 29 26 26 LEU LEU A . n +A 1 30 LYS 30 27 27 LYS LYS A . n +A 1 31 LYS 31 28 28 LYS LYS A . n +A 1 32 LYS 32 29 29 LYS LYS A . n +A 1 33 LEU 33 30 30 LEU LEU A . n +A 1 34 VAL 34 31 31 VAL VAL A . n +A 1 35 GLU 35 32 32 GLU GLU A . n +A 1 36 VAL 36 33 33 VAL VAL A . n +A 1 37 LEU 37 34 34 LEU LEU A . n +A 1 38 GLU 38 35 35 GLU GLU A . n +A 1 39 SER 39 36 36 SER SER A . n +A 1 40 PRO 40 37 37 PRO PRO A . n +A 1 41 ARG 41 38 38 ARG ARG A . n +A 1 42 ILE 42 39 39 ILE ILE A . n +A 1 43 GLU 43 40 40 GLU GLU A . n +A 1 44 ALA 44 41 41 ALA ALA A . n +A 1 45 ASN 45 42 42 ASN ASN A . n +A 1 46 LYS 46 43 43 LYS LYS A . n +A 1 47 LEU 47 44 44 LEU LEU A . n +A 1 48 ARG 48 45 45 ARG ARG A . n +A 1 49 GLY 49 46 46 GLY GLY A . n +A 1 50 MET 50 47 47 MET MET A . n +A 1 51 PRO 51 48 48 PRO PRO A . n +A 1 52 ASP 52 49 49 ASP ASP A . n +A 1 53 CYS 53 50 50 CYS CYS A . n +A 1 54 TYR 54 51 51 TYR TYR A . n +A 1 55 LYS 55 52 52 LYS LYS A . n +A 1 56 ILE 56 53 53 ILE ILE A . n +A 1 57 LYS 57 54 54 LYS LYS A . n +A 1 58 LEU 58 55 55 LEU LEU A . n +A 1 59 ARG 59 56 56 ARG ARG A . n +A 1 60 SER 60 57 57 SER SER A . n +A 1 61 SER 61 58 58 SER SER A . n +A 1 62 GLY 62 59 59 GLY GLY A . n +A 1 63 TYR 63 60 60 TYR TYR A . n +A 1 64 ARG 64 61 61 ARG ARG A . n +A 1 65 LEU 65 62 62 LEU LEU A . n +A 1 66 VAL 66 63 63 VAL VAL A . n +A 1 67 TYR 67 64 64 TYR TYR A . n +A 1 68 GLN 68 65 65 GLN GLN A . n +A 1 69 VAL 69 66 66 VAL VAL A . n +A 1 70 ILE 70 67 67 ILE ILE A . n +A 1 71 ASP 71 68 68 ASP ASP A . n +A 1 72 GLU 72 69 69 GLU GLU A . n +A 1 73 LYS 73 70 70 LYS LYS A . n +A 1 74 VAL 74 71 71 VAL VAL A . n +A 1 75 VAL 75 72 72 VAL VAL A . n +A 1 76 VAL 76 73 73 VAL VAL A . n +A 1 77 PHE 77 74 74 PHE PHE A . n +A 1 78 VAL 78 75 75 VAL VAL A . n +A 1 79 ILE 79 76 76 ILE ILE A . n +A 1 80 SER 80 77 77 SER SER A . n +A 1 81 VAL 81 78 78 VAL VAL A . n +A 1 82 GLY 82 79 79 GLY GLY A . n +A 1 83 LYS 83 80 80 LYS LYS A . n +A 1 84 ALA 84 81 81 ALA ALA A . n +A 1 85 GLU 85 82 82 GLU GLU A . n +A 1 86 ALA 86 83 83 ALA ALA A . n +A 1 87 SER 87 84 84 SER SER A . n +A 1 88 GLU 88 85 85 GLU GLU A . n +A 1 89 VAL 89 86 86 VAL VAL A . n +A 1 90 TYR 90 87 87 TYR TYR A . n +A 1 91 SER 91 88 88 SER SER A . n +A 1 92 GLU 92 89 89 GLU GLU A . n +A 1 93 ALA 93 90 90 ALA ALA A . n +A 1 94 VAL 94 91 91 VAL VAL A . n +A 1 95 LYS 95 92 92 LYS LYS A . n +A 1 96 ARG 96 93 93 ARG ARG A . n +A 1 97 ILE 97 94 94 ILE ILE A . n +A 1 98 LEU 98 95 95 LEU LEU A . n +# +_pdbx_nmr_constraints.disulfide_bond_constraints_total_count ? +_pdbx_nmr_constraints.entry_id 2KC9 +_pdbx_nmr_constraints.hydrogen_bond_constraints_total_count 80 +_pdbx_nmr_constraints.NA_alpha-angle_constraints_total_count ? +_pdbx_nmr_constraints.NA_beta-angle_constraints_total_count ? +_pdbx_nmr_constraints.NA_chi-angle_constraints_total_count ? +_pdbx_nmr_constraints.NA_delta-angle_constraints_total_count ? +_pdbx_nmr_constraints.NA_epsilon-angle_constraints_total_count ? +_pdbx_nmr_constraints.NA_gamma-angle_constraints_total_count ? +_pdbx_nmr_constraints.NA_other-angle_constraints_total_count ? +_pdbx_nmr_constraints.NA_sugar_pucker_constraints_total_count ? +_pdbx_nmr_constraints.NOE_constraints_total 2440 +_pdbx_nmr_constraints.NOE_interentity_total_count ? +_pdbx_nmr_constraints.NOE_interproton_distance_evaluation ? +_pdbx_nmr_constraints.NOE_intraresidue_total_count 1821 +_pdbx_nmr_constraints.NOE_long_range_total_count 790 +_pdbx_nmr_constraints.NOE_medium_range_total_count 481 +_pdbx_nmr_constraints.NOE_motional_averaging_correction ? +_pdbx_nmr_constraints.NOE_pseudoatom_corrections ? +_pdbx_nmr_constraints.NOE_sequential_total_count 550 +_pdbx_nmr_constraints.protein_chi_angle_constraints_total_count 0 +_pdbx_nmr_constraints.protein_other_angle_constraints_total_count 0 +_pdbx_nmr_constraints.protein_phi_angle_constraints_total_count 62 +_pdbx_nmr_constraints.protein_psi_angle_constraints_total_count 62 +# +_pdbx_nmr_ensemble_rms.atom_type ? +_pdbx_nmr_ensemble_rms.bond_angle_rms_dev ? +_pdbx_nmr_ensemble_rms.bond_angle_rms_dev_error ? +_pdbx_nmr_ensemble_rms.chain_range_begin ? +_pdbx_nmr_ensemble_rms.chain_range_end ? +_pdbx_nmr_ensemble_rms.coord_average_rmsd_method ? +_pdbx_nmr_ensemble_rms.covalent_bond_rms_dev ? +_pdbx_nmr_ensemble_rms.covalent_bond_rms_dev_error ? +_pdbx_nmr_ensemble_rms.dihedral_angles_rms_dev ? +_pdbx_nmr_ensemble_rms.dihedral_angles_rms_dev_error ? +_pdbx_nmr_ensemble_rms.distance_rms_dev 0.008 +_pdbx_nmr_ensemble_rms.distance_rms_dev_error 0.001 +_pdbx_nmr_ensemble_rms.entry_id 2KC9 +_pdbx_nmr_ensemble_rms.improper_torsion_angle_rms_dev ? +_pdbx_nmr_ensemble_rms.improper_torsion_angle_rms_dev_error ? +_pdbx_nmr_ensemble_rms.peptide_planarity_rms_dev ? +_pdbx_nmr_ensemble_rms.peptide_planarity_rms_dev_error ? +_pdbx_nmr_ensemble_rms.residue_range_begin ? +_pdbx_nmr_ensemble_rms.residue_range_end ? +# +loop_ +_pdbx_nmr_exptl_sample.component +_pdbx_nmr_exptl_sample.concentration +_pdbx_nmr_exptl_sample.concentration_range +_pdbx_nmr_exptl_sample.concentration_units +_pdbx_nmr_exptl_sample.isotopic_labeling +_pdbx_nmr_exptl_sample.solution_id +RelE-1 0.5 ? mM '[U-13C; U-15N]' 1 +'sodium phosphate-2' 25 ? mM ? 1 +'sodium chloride-3' 500 ? mM ? 1 +DTT-4 1 ? mM ? 1 +'sodium azide-5' 0.5 ? mM ? 1 +RelE-6 0.5 ? mM '[U-13C; U-15N]' 2 +'sodium phosphate-7' 25 ? mM ? 2 +'sodium chloride-8' 500 ? mM ? 2 +DTT-9 1 ? mM ? 2 +'sodium azide-10' 0.5 ? mM ? 2 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +1 Y 1 1 A GLY -2 ? +2 Y 1 1 A SER -1 ? +3 Y 1 1 A HIS 0 ? +4 Y 1 2 A GLY -2 ? +5 Y 1 2 A SER -1 ? +6 Y 1 2 A HIS 0 ? +7 Y 1 3 A GLY -2 ? +8 Y 1 3 A SER -1 ? +9 Y 1 3 A HIS 0 ? +10 Y 1 4 A GLY -2 ? +11 Y 1 4 A SER -1 ? +12 Y 1 4 A HIS 0 ? +13 Y 1 5 A GLY -2 ? +14 Y 1 5 A SER -1 ? +15 Y 1 5 A HIS 0 ? +16 Y 1 6 A GLY -2 ? +17 Y 1 6 A SER -1 ? +18 Y 1 6 A HIS 0 ? +19 Y 1 7 A GLY -2 ? +20 Y 1 7 A SER -1 ? +21 Y 1 7 A HIS 0 ? +22 Y 1 8 A GLY -2 ? +23 Y 1 8 A SER -1 ? +24 Y 1 8 A HIS 0 ? +25 Y 1 9 A GLY -2 ? +26 Y 1 9 A SER -1 ? +27 Y 1 9 A HIS 0 ? +28 Y 1 10 A GLY -2 ? +29 Y 1 10 A SER -1 ? +30 Y 1 10 A HIS 0 ? +31 Y 1 11 A GLY -2 ? +32 Y 1 11 A SER -1 ? +33 Y 1 11 A HIS 0 ? +34 Y 1 12 A GLY -2 ? +35 Y 1 12 A SER -1 ? +36 Y 1 12 A HIS 0 ? +37 Y 1 13 A GLY -2 ? +38 Y 1 13 A SER -1 ? +39 Y 1 13 A HIS 0 ? +40 Y 1 14 A GLY -2 ? +41 Y 1 14 A SER -1 ? +42 Y 1 14 A HIS 0 ? +43 Y 1 15 A GLY -2 ? +44 Y 1 15 A SER -1 ? +45 Y 1 15 A HIS 0 ? +46 Y 1 16 A GLY -2 ? +47 Y 1 16 A SER -1 ? +48 Y 1 16 A HIS 0 ? +49 Y 1 17 A GLY -2 ? +50 Y 1 17 A SER -1 ? +51 Y 1 17 A HIS 0 ? +52 Y 1 18 A GLY -2 ? +53 Y 1 18 A SER -1 ? +54 Y 1 18 A HIS 0 ? +55 Y 1 19 A GLY -2 ? +56 Y 1 19 A SER -1 ? +57 Y 1 19 A HIS 0 ? +58 Y 1 20 A GLY -2 ? +59 Y 1 20 A SER -1 ? +60 Y 1 20 A HIS 0 ? +# +_pdbx_version.entry_id 2KC9 +_pdbx_version.revision_date 2009-02-02 +_pdbx_version.major_version 3 +_pdbx_version.minor_version 2 +_pdbx_version.details 'compliance with PDB format V.3.20' +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 SER A 36 ? -160.16 77.92 +2 1 ASP A 49 ? -149.22 55.54 +3 1 SER A 57 ? -71.68 -85.72 +4 2 SER A 36 ? -162.55 80.21 +5 2 ARG A 38 ? -90.19 36.15 +6 2 PRO A 48 ? -63.18 95.13 +7 2 ARG A 56 ? 74.27 -62.27 +8 3 SER A 36 ? -157.47 67.47 +9 3 ARG A 38 ? -78.28 25.75 +10 3 PRO A 48 ? -63.03 94.40 +11 3 ALA A 83 ? -144.77 -67.13 +12 3 SER A 84 ? -151.53 26.32 +13 4 SER A 36 ? -162.90 77.66 +14 4 PRO A 48 ? -58.43 90.43 +15 5 SER A 36 ? -164.52 78.78 +16 5 ARG A 38 ? -83.62 34.16 +17 5 PRO A 48 ? -59.87 95.42 +18 5 SER A 57 ? -165.57 -38.24 +19 5 ALA A 83 ? -149.44 -61.62 +20 6 SER A 36 ? -155.20 70.99 +21 6 PRO A 48 ? -63.92 90.88 +22 6 ILE A 94 ? -93.28 -62.99 +23 7 SER A 36 ? -159.29 62.19 +24 7 SER A 84 ? 72.89 35.92 +25 8 SER A 20 ? -106.50 -60.47 +26 8 SER A 36 ? -160.10 77.50 +27 8 ARG A 38 ? -83.79 40.96 +28 8 PRO A 48 ? -67.20 95.13 +29 8 SER A 58 ? -156.05 -45.53 +30 8 ALA A 83 ? -130.42 -63.27 +31 8 SER A 84 ? -161.55 22.99 +32 9 SER A 36 ? -158.42 76.66 +33 9 PRO A 48 ? -62.07 95.16 +34 9 ALA A 83 ? -127.44 -69.29 +35 9 SER A 84 ? -159.96 24.18 +36 10 SER A 36 ? -158.09 74.46 +37 10 ARG A 38 ? -88.12 32.78 +38 11 SER A 36 ? -161.72 75.81 +39 11 ARG A 38 ? -80.29 43.30 +40 12 SER A 36 ? -154.20 74.19 +41 12 ARG A 38 ? -90.22 38.69 +42 12 PRO A 48 ? -51.75 -71.70 +43 12 SER A 58 ? 71.82 -43.88 +44 12 GLU A 82 ? -134.70 -37.31 +45 12 ALA A 83 ? -146.69 -77.08 +46 13 SER A 36 ? -152.37 69.41 +47 13 ARG A 38 ? -90.79 37.94 +48 13 PRO A 48 ? -65.65 99.08 +49 13 ARG A 56 ? -68.44 78.80 +50 13 SER A 57 ? 172.63 -49.96 +51 13 GLU A 82 ? -94.63 -68.00 +52 13 ALA A 83 ? -129.30 -59.82 +53 14 SER A 36 ? -154.81 63.72 +54 14 ARG A 38 ? -92.02 40.20 +55 14 PRO A 48 ? -57.92 89.43 +56 14 ALA A 83 ? -172.11 -51.33 +57 15 SER A 36 ? -155.27 69.67 +58 15 ARG A 38 ? -89.04 38.70 +59 15 PRO A 48 ? -65.25 98.90 +60 15 ALA A 83 ? -141.62 -66.80 +61 15 SER A 84 ? -153.49 20.32 +62 16 SER A 20 ? -163.74 -60.85 +63 16 SER A 36 ? -162.05 76.04 +64 16 ARG A 38 ? -91.68 40.91 +65 16 ARG A 45 ? -63.15 -74.28 +66 16 PRO A 48 ? -59.91 99.11 +67 16 SER A 58 ? 69.51 -173.69 +68 16 ALA A 81 ? -89.58 -78.35 +69 16 GLU A 82 ? 58.35 -45.04 +70 17 PRO A 48 ? -69.40 95.76 +71 17 SER A 58 ? -134.78 -36.03 +72 17 ALA A 83 ? 72.87 -87.84 +73 17 SER A 84 ? -153.24 7.24 +74 18 SER A 36 ? -152.60 73.95 +75 18 ARG A 38 ? -87.51 41.45 +76 18 ASP A 49 ? -154.66 83.65 +77 19 ARG A 38 ? -84.48 39.22 +78 19 PRO A 48 ? -67.88 -74.35 +79 19 SER A 57 ? 171.61 -39.75 +80 19 ALA A 83 ? -178.19 -76.77 +81 20 SER A 36 ? -157.57 77.58 +82 20 ALA A 83 ? -137.68 -54.55 +# +loop_ +_pdbx_validate_planes.id +_pdbx_validate_planes.PDB_model_num +_pdbx_validate_planes.auth_comp_id +_pdbx_validate_planes.auth_asym_id +_pdbx_validate_planes.auth_seq_id +_pdbx_validate_planes.PDB_ins_code +_pdbx_validate_planes.rmsd +_pdbx_validate_planes.type +1 1 ARG A 61 ? 0.080 SIDE_CHAIN +2 3 ARG A 38 ? 0.083 SIDE_CHAIN +3 12 ARG A 61 ? 0.109 SIDE_CHAIN +4 16 ARG A 10 ? 0.081 SIDE_CHAIN +5 19 ARG A 16 ? 0.075 SIDE_CHAIN +6 20 ARG A 10 ? 0.087 SIDE_CHAIN +# diff --git a/biojava-structure/src/test/resources/2kc9.pdb b/biojava-structure/src/test/resources/2kc9.pdb new file mode 100644 index 0000000000..c3dc6e3ad9 --- /dev/null +++ b/biojava-structure/src/test/resources/2kc9.pdb @@ -0,0 +1,32297 @@ +HEADER TOXIN 17-DEC-08 2KC9 +TITLE STRUCTURE OF E. COLI TOXIN RELE (R81A/R83A) MUTANT IN THE +TITLE 2 FREE STATE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: TOXIN RELE; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES; +COMPND 5 MUTATION: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; +SOURCE 3 ORGANISM_TAXID: 83333; +SOURCE 4 STRAIN: K-12; +SOURCE 5 GENE: RELE, B1563, JW1555; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; +SOURCE 9 EXPRESSION_SYSTEM_VARIANT: DE3; +SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET28A; +SOURCE 11 OTHER_DETAILS: RELE IS EXPRESSED WITH HIS-TAG FUSION. THE +SOURCE 12 HIS-TAG IS REMOVED BY THROMBIN AFTERWARD +KEYWDS RELE, TOXIN, REPRESSOR, STRESS RESPONSE, TRANSCRIPTION, +KEYWDS 2 TRANSCRIPTION REGULATION +EXPDTA SOLUTION NMR +NUMMDL 20 +AUTHOR G.LI,Y.ZHANG,M.INOUYE,M.IKURA +REVDAT 1 17-MAR-09 2KC9 0 +JRNL AUTH G.LI,Y.ZHANG,M.INOUYE,M.IKURA +JRNL TITL RELE TOXIN IS INHIBITED BY ANTITOXIN RELB THROUGH +JRNL TITL 2 A HELIX DISPLACEMENT +JRNL REF TO BE PUBLISHED +JRNL REFN +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS 1.1 +REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 2KC9 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-FEB-09. +REMARK 100 THE RCSB ID CODE IS RCSB100941. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : 296.5 +REMARK 210 PH : 6.5 +REMARK 210 IONIC STRENGTH : 0.5 +REMARK 210 PRESSURE : AMBIENT +REMARK 210 SAMPLE CONTENTS : 0.5 MM [U-13C; U-15N] RELE-1, +REMARK 210 25 MM SODIUM PHOSPHATE-2, 500 +REMARK 210 MM SODIUM CHLORIDE-3, 1 MM DTT +REMARK 210 -4, 0.5 MM SODIUM AZIDE-5, 90% +REMARK 210 H2O/10% D2O; 0.5 MM [U-13C; U- +REMARK 210 15N] RELE-6, 25 MM SODIUM +REMARK 210 PHOSPHATE-7, 500 MM SODIUM +REMARK 210 CHLORIDE-8, 1 MM DTT-9, 0.5 MM +REMARK 210 SODIUM AZIDE-10, 100% D2O +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC, 3D HNCACB, 3D +REMARK 210 C(CO)NH, 3D HNCO, 3D H(CCO)NH, +REMARK 210 3D 1H-15N NOESY, 2D 1H-13C +REMARK 210 HSQC, 3D HCCH-TOCSY, 3D HCCH- +REMARK 210 COSY, 3D 1H-13C NOESY +REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 800 MHZ +REMARK 210 SPECTROMETER MODEL : INOVA, AVANCE +REMARK 210 SPECTROMETER MANUFACTURER : VARIAN, BRUKER +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : TOPSPIN 2.0, NMRPIPE, XEASY, +REMARK 210 CYANA 2.1, CNS 1.1, MOLMOL, +REMARK 210 PROCHECKNMR, VNMR +REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS, +REMARK 210 SIMULATED ANNEALING +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 +REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST +REMARK 210 ENERGY +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 +REMARK 210 +REMARK 210 REMARK: NULL +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 MODELS 1-20 +REMARK 465 RES C SSSEQI +REMARK 465 GLY A -2 +REMARK 465 SER A -1 +REMARK 465 HIS A 0 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 1 SER A 36 77.92 -160.16 +REMARK 500 1 ASP A 49 55.54 -149.22 +REMARK 500 1 SER A 57 -85.72 -71.68 +REMARK 500 2 SER A 36 80.21 -162.55 +REMARK 500 2 ARG A 38 36.15 -90.19 +REMARK 500 2 PRO A 48 95.13 -63.18 +REMARK 500 2 ARG A 56 -62.27 74.27 +REMARK 500 3 SER A 36 67.47 -157.47 +REMARK 500 3 ARG A 38 25.75 -78.28 +REMARK 500 3 PRO A 48 94.40 -63.03 +REMARK 500 3 ALA A 83 -67.13 -144.77 +REMARK 500 3 SER A 84 26.32 -151.53 +REMARK 500 4 SER A 36 77.66 -162.90 +REMARK 500 4 PRO A 48 90.43 -58.43 +REMARK 500 5 SER A 36 78.78 -164.52 +REMARK 500 5 ARG A 38 34.16 -83.62 +REMARK 500 5 PRO A 48 95.42 -59.87 +REMARK 500 5 SER A 57 -38.24 -165.57 +REMARK 500 5 ALA A 83 -61.62 -149.44 +REMARK 500 6 SER A 36 70.99 -155.20 +REMARK 500 6 PRO A 48 90.88 -63.92 +REMARK 500 6 ILE A 94 -62.99 -93.28 +REMARK 500 7 SER A 36 62.19 -159.29 +REMARK 500 7 SER A 84 35.92 72.89 +REMARK 500 8 SER A 20 -60.47 -106.50 +REMARK 500 8 SER A 36 77.50 -160.10 +REMARK 500 8 ARG A 38 40.96 -83.79 +REMARK 500 8 PRO A 48 95.13 -67.20 +REMARK 500 8 SER A 58 -45.53 -156.05 +REMARK 500 8 ALA A 83 -63.27 -130.42 +REMARK 500 8 SER A 84 22.99 -161.55 +REMARK 500 9 SER A 36 76.66 -158.42 +REMARK 500 9 PRO A 48 95.16 -62.07 +REMARK 500 9 ALA A 83 -69.29 -127.44 +REMARK 500 9 SER A 84 24.18 -159.96 +REMARK 500 10 SER A 36 74.46 -158.09 +REMARK 500 10 ARG A 38 32.78 -88.12 +REMARK 500 11 SER A 36 75.81 -161.72 +REMARK 500 11 ARG A 38 43.30 -80.29 +REMARK 500 12 SER A 36 74.19 -154.20 +REMARK 500 12 ARG A 38 38.69 -90.22 +REMARK 500 12 PRO A 48 -71.70 -51.75 +REMARK 500 12 SER A 58 -43.88 71.82 +REMARK 500 12 GLU A 82 -37.31 -134.70 +REMARK 500 12 ALA A 83 -77.08 -146.69 +REMARK 500 13 SER A 36 69.41 -152.37 +REMARK 500 13 ARG A 38 37.94 -90.79 +REMARK 500 13 PRO A 48 99.08 -65.65 +REMARK 500 13 ARG A 56 78.80 -68.44 +REMARK 500 13 SER A 57 -49.96 172.63 +REMARK 500 13 GLU A 82 -68.00 -94.63 +REMARK 500 13 ALA A 83 -59.82 -129.30 +REMARK 500 14 SER A 36 63.72 -154.81 +REMARK 500 14 ARG A 38 40.20 -92.02 +REMARK 500 14 PRO A 48 89.43 -57.92 +REMARK 500 14 ALA A 83 -51.33 -172.11 +REMARK 500 15 SER A 36 69.67 -155.27 +REMARK 500 15 ARG A 38 38.70 -89.04 +REMARK 500 15 PRO A 48 98.90 -65.25 +REMARK 500 15 ALA A 83 -66.80 -141.62 +REMARK 500 15 SER A 84 20.32 -153.49 +REMARK 500 16 SER A 20 -60.85 -163.74 +REMARK 500 16 SER A 36 76.04 -162.05 +REMARK 500 16 ARG A 38 40.91 -91.68 +REMARK 500 16 ARG A 45 -74.28 -63.15 +REMARK 500 16 PRO A 48 99.11 -59.91 +REMARK 500 16 SER A 58 -173.69 69.51 +REMARK 500 16 ALA A 81 -78.35 -89.58 +REMARK 500 16 GLU A 82 -45.04 58.35 +REMARK 500 17 PRO A 48 95.76 -69.40 +REMARK 500 17 SER A 58 -36.03 -134.78 +REMARK 500 17 ALA A 83 -87.84 72.87 +REMARK 500 17 SER A 84 7.24 -153.24 +REMARK 500 18 SER A 36 73.95 -152.60 +REMARK 500 18 ARG A 38 41.45 -87.51 +REMARK 500 18 ASP A 49 83.65 -154.66 +REMARK 500 19 ARG A 38 39.22 -84.48 +REMARK 500 19 PRO A 48 -74.35 -67.88 +REMARK 500 19 SER A 57 -39.75 171.61 +REMARK 500 19 ALA A 83 -76.77 -178.19 +REMARK 500 20 SER A 36 77.58 -157.57 +REMARK 500 20 ALA A 83 -54.55 -137.68 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 1 ARG A 61 0.08 SIDE_CHAIN +REMARK 500 3 ARG A 38 0.08 SIDE_CHAIN +REMARK 500 12 ARG A 61 0.11 SIDE_CHAIN +REMARK 500 16 ARG A 10 0.08 SIDE_CHAIN +REMARK 500 19 ARG A 16 0.07 SIDE_CHAIN +REMARK 500 20 ARG A 10 0.09 SIDE_CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 2KC8 RELATED DB: PDB +REMARK 900 STRUCTURE OF E. COLI TOXIN RELE (R81A/R83A) MUTANT IN +REMARK 900 COMPLEX WITH ANTITOXIN RELBC (K47-L79) PEPTIDE +DBREF 2KC9 A 1 95 UNP P0C077 RELE_ECOLI 1 95 +SEQADV 2KC9 GLY A -2 UNP P0C077 EXPRESSION TAG +SEQADV 2KC9 SER A -1 UNP P0C077 EXPRESSION TAG +SEQADV 2KC9 HIS A 0 UNP P0C077 EXPRESSION TAG +SEQADV 2KC9 ALA A 81 UNP P0C077 ARG 81 ENGINEERED +SEQADV 2KC9 ALA A 83 UNP P0C077 ARG 83 ENGINEERED +SEQRES 1 A 98 GLY SER HIS MET ALA TYR PHE LEU ASP PHE ASP GLU ARG +SEQRES 2 A 98 ALA LEU LYS GLU TRP ARG LYS LEU GLY SER THR VAL ARG +SEQRES 3 A 98 GLU GLN LEU LYS LYS LYS LEU VAL GLU VAL LEU GLU SER +SEQRES 4 A 98 PRO ARG ILE GLU ALA ASN LYS LEU ARG GLY MET PRO ASP +SEQRES 5 A 98 CYS TYR LYS ILE LYS LEU ARG SER SER GLY TYR ARG LEU +SEQRES 6 A 98 VAL TYR GLN VAL ILE ASP GLU LYS VAL VAL VAL PHE VAL +SEQRES 7 A 98 ILE SER VAL GLY LYS ALA GLU ALA SER GLU VAL TYR SER +SEQRES 8 A 98 GLU ALA VAL LYS ARG ILE LEU +HELIX 1 1 ASP A 8 LEU A 18 1 11 +HELIX 2 2 GLY A 19 LEU A 34 1 16 +HELIX 3 3 SER A 84 ILE A 94 1 11 +SHEET 1 A 4 PHE A 4 PHE A 7 0 +SHEET 2 A 4 VAL A 72 GLY A 79 1 O VAL A 73 N PHE A 4 +SHEET 3 A 4 ARG A 61 ILE A 67 -1 N GLN A 65 O PHE A 74 +SHEET 4 A 4 CYS A 50 LYS A 54 -1 N TYR A 51 O TYR A 64 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N MET A 1 11.137 15.464 -2.009 1.00 0.00 N +ATOM 2 CA MET A 1 11.403 14.375 -2.926 1.00 0.00 C +ATOM 3 C MET A 1 10.155 13.550 -3.034 1.00 0.00 C +ATOM 4 O MET A 1 9.527 13.246 -2.029 1.00 0.00 O +ATOM 5 CB MET A 1 12.557 13.508 -2.413 1.00 0.00 C +ATOM 6 CG MET A 1 13.011 12.411 -3.371 1.00 0.00 C +ATOM 7 SD MET A 1 14.353 11.401 -2.691 1.00 0.00 S +ATOM 8 CE MET A 1 14.675 10.299 -4.073 1.00 0.00 C +ATOM 9 H MET A 1 10.888 15.083 -1.077 1.00 0.00 H +ATOM 10 HA MET A 1 11.654 14.796 -3.886 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.398 14.146 -2.198 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.216 13.039 -1.503 1.00 0.00 H +ATOM 13 HG2 MET A 1 12.174 11.767 -3.594 1.00 0.00 H +ATOM 14 HG3 MET A 1 13.359 12.873 -4.283 1.00 0.00 H +ATOM 15 HE1 MET A 1 14.960 10.881 -4.937 1.00 0.00 H +ATOM 16 HE2 MET A 1 13.785 9.731 -4.299 1.00 0.00 H +ATOM 17 HE3 MET A 1 15.476 9.622 -3.815 1.00 0.00 H +ATOM 18 N ALA A 2 9.800 13.200 -4.229 1.00 0.00 N +ATOM 19 CA ALA A 2 8.602 12.444 -4.471 1.00 0.00 C +ATOM 20 C ALA A 2 8.939 11.156 -5.172 1.00 0.00 C +ATOM 21 O ALA A 2 9.832 11.111 -6.038 1.00 0.00 O +ATOM 22 CB ALA A 2 7.608 13.252 -5.284 1.00 0.00 C +ATOM 23 H ALA A 2 10.390 13.433 -4.975 1.00 0.00 H +ATOM 24 HA ALA A 2 8.155 12.214 -3.514 1.00 0.00 H +ATOM 25 HB1 ALA A 2 8.021 13.450 -6.262 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.402 14.182 -4.776 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.695 12.683 -5.381 1.00 0.00 H +ATOM 28 N TYR A 3 8.260 10.125 -4.798 1.00 0.00 N +ATOM 29 CA TYR A 3 8.477 8.817 -5.359 1.00 0.00 C +ATOM 30 C TYR A 3 7.337 8.490 -6.282 1.00 0.00 C +ATOM 31 O TYR A 3 6.365 9.246 -6.360 1.00 0.00 O +ATOM 32 CB TYR A 3 8.588 7.757 -4.247 1.00 0.00 C +ATOM 33 CG TYR A 3 9.792 7.922 -3.337 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.931 9.044 -2.530 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.780 6.947 -3.273 1.00 0.00 C +ATOM 36 CE1 TYR A 3 11.004 9.196 -1.696 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.867 7.094 -2.433 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.968 8.224 -1.646 1.00 0.00 C +ATOM 39 OH TYR A 3 13.035 8.380 -0.799 1.00 0.00 O +ATOM 40 H TYR A 3 7.555 10.235 -4.126 1.00 0.00 H +ATOM 41 HA TYR A 3 9.397 8.838 -5.922 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.704 7.796 -3.629 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.649 6.781 -4.706 1.00 0.00 H +ATOM 44 HD1 TYR A 3 9.171 9.810 -2.572 1.00 0.00 H +ATOM 45 HD2 TYR A 3 10.694 6.064 -3.891 1.00 0.00 H +ATOM 46 HE1 TYR A 3 11.084 10.081 -1.082 1.00 0.00 H +ATOM 47 HE2 TYR A 3 12.629 6.329 -2.392 1.00 0.00 H +ATOM 48 HH TYR A 3 13.840 8.250 -1.319 1.00 0.00 H +ATOM 49 N PHE A 4 7.457 7.410 -6.983 1.00 0.00 N +ATOM 50 CA PHE A 4 6.424 6.979 -7.893 1.00 0.00 C +ATOM 51 C PHE A 4 5.525 5.984 -7.183 1.00 0.00 C +ATOM 52 O PHE A 4 5.893 5.475 -6.129 1.00 0.00 O +ATOM 53 CB PHE A 4 7.064 6.366 -9.136 1.00 0.00 C +ATOM 54 CG PHE A 4 7.960 7.328 -9.863 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.443 8.486 -10.421 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.317 7.079 -9.982 1.00 0.00 C +ATOM 57 CE1 PHE A 4 8.262 9.376 -11.084 1.00 0.00 C +ATOM 58 CE2 PHE A 4 10.141 7.966 -10.644 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.613 9.116 -11.195 1.00 0.00 C +ATOM 60 H PHE A 4 8.267 6.861 -6.890 1.00 0.00 H +ATOM 61 HA PHE A 4 5.842 7.843 -8.178 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.684 5.540 -8.816 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.309 6.006 -9.818 1.00 0.00 H +ATOM 64 HD1 PHE A 4 6.386 8.692 -10.334 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.732 6.181 -9.551 1.00 0.00 H +ATOM 66 HE1 PHE A 4 7.842 10.273 -11.514 1.00 0.00 H +ATOM 67 HE2 PHE A 4 11.197 7.760 -10.729 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.255 9.811 -11.714 1.00 0.00 H +ATOM 69 N LEU A 5 4.369 5.711 -7.730 1.00 0.00 N +ATOM 70 CA LEU A 5 3.442 4.786 -7.100 1.00 0.00 C +ATOM 71 C LEU A 5 3.080 3.703 -8.126 1.00 0.00 C +ATOM 72 O LEU A 5 2.774 4.020 -9.273 1.00 0.00 O +ATOM 73 CB LEU A 5 2.170 5.560 -6.649 1.00 0.00 C +ATOM 74 CG LEU A 5 1.350 5.009 -5.441 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.895 3.577 -5.624 1.00 0.00 C +ATOM 76 CD2 LEU A 5 2.116 5.160 -4.145 1.00 0.00 C +ATOM 77 H LEU A 5 4.110 6.128 -8.583 1.00 0.00 H +ATOM 78 HA LEU A 5 3.922 4.337 -6.242 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.471 6.566 -6.400 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.508 5.617 -7.501 1.00 0.00 H +ATOM 81 HG LEU A 5 0.453 5.605 -5.355 1.00 0.00 H +ATOM 82 HD11 LEU A 5 0.196 3.516 -6.446 1.00 0.00 H +ATOM 83 HD12 LEU A 5 0.438 3.227 -4.711 1.00 0.00 H +ATOM 84 HD13 LEU A 5 1.756 2.963 -5.838 1.00 0.00 H +ATOM 85 HD21 LEU A 5 3.052 4.632 -4.228 1.00 0.00 H +ATOM 86 HD22 LEU A 5 1.539 4.734 -3.339 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.299 6.204 -3.946 1.00 0.00 H +ATOM 88 N ASP A 6 3.137 2.449 -7.721 1.00 0.00 N +ATOM 89 CA ASP A 6 2.788 1.322 -8.587 1.00 0.00 C +ATOM 90 C ASP A 6 1.920 0.333 -7.802 1.00 0.00 C +ATOM 91 O ASP A 6 1.926 0.347 -6.570 1.00 0.00 O +ATOM 92 CB ASP A 6 4.063 0.643 -9.123 1.00 0.00 C +ATOM 93 CG ASP A 6 3.808 -0.464 -10.138 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.728 -0.492 -10.767 1.00 0.00 O +ATOM 95 OD2 ASP A 6 4.702 -1.308 -10.336 1.00 0.00 O +ATOM 96 H ASP A 6 3.422 2.256 -6.797 1.00 0.00 H +ATOM 97 HA ASP A 6 2.207 1.708 -9.410 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.691 1.386 -9.590 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.591 0.217 -8.283 1.00 0.00 H +ATOM 100 N PHE A 7 1.201 -0.511 -8.496 1.00 0.00 N +ATOM 101 CA PHE A 7 0.257 -1.435 -7.881 1.00 0.00 C +ATOM 102 C PHE A 7 0.450 -2.836 -8.426 1.00 0.00 C +ATOM 103 O PHE A 7 0.719 -3.016 -9.625 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.194 -1.032 -8.184 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.659 0.290 -7.649 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -1.500 1.452 -8.387 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.288 0.365 -6.419 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -1.956 2.660 -7.907 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.742 1.570 -5.929 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.577 2.718 -6.673 1.00 0.00 C +ATOM 111 H PHE A 7 1.362 -0.554 -9.467 1.00 0.00 H +ATOM 112 HA PHE A 7 0.401 -1.428 -6.811 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.322 -0.996 -9.256 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.847 -1.799 -7.792 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.012 1.405 -9.350 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.416 -0.535 -5.835 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -1.825 3.558 -8.492 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.229 1.614 -4.966 1.00 0.00 H +ATOM 119 HZ PHE A 7 -2.936 3.662 -6.292 1.00 0.00 H +ATOM 120 N ASP A 8 0.320 -3.817 -7.569 1.00 0.00 N +ATOM 121 CA ASP A 8 0.336 -5.212 -7.993 1.00 0.00 C +ATOM 122 C ASP A 8 -0.998 -5.573 -8.619 1.00 0.00 C +ATOM 123 O ASP A 8 -2.021 -5.001 -8.253 1.00 0.00 O +ATOM 124 CB ASP A 8 0.604 -6.140 -6.820 1.00 0.00 C +ATOM 125 CG ASP A 8 0.528 -7.578 -7.237 1.00 0.00 C +ATOM 126 OD1 ASP A 8 1.272 -7.986 -8.144 1.00 0.00 O +ATOM 127 OD2 ASP A 8 -0.300 -8.309 -6.717 1.00 0.00 O +ATOM 128 H ASP A 8 0.238 -3.621 -6.610 1.00 0.00 H +ATOM 129 HA ASP A 8 1.116 -5.331 -8.730 1.00 0.00 H +ATOM 130 HB2 ASP A 8 1.587 -5.944 -6.419 1.00 0.00 H +ATOM 131 HB3 ASP A 8 -0.137 -5.967 -6.054 1.00 0.00 H +ATOM 132 N GLU A 9 -0.996 -6.506 -9.557 1.00 0.00 N +ATOM 133 CA GLU A 9 -2.209 -6.907 -10.226 1.00 0.00 C +ATOM 134 C GLU A 9 -3.231 -7.560 -9.264 1.00 0.00 C +ATOM 135 O GLU A 9 -4.435 -7.478 -9.495 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.933 -7.703 -11.529 1.00 0.00 C +ATOM 137 CG GLU A 9 -1.366 -9.107 -11.382 1.00 0.00 C +ATOM 138 CD GLU A 9 -2.442 -10.144 -11.194 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -3.191 -10.423 -12.158 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -2.573 -10.690 -10.102 1.00 0.00 O +ATOM 141 H GLU A 9 -0.147 -6.952 -9.775 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.666 -5.964 -10.496 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.863 -7.793 -12.072 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -1.250 -7.123 -12.133 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -0.781 -9.357 -12.254 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -0.732 -9.122 -10.508 1.00 0.00 H +ATOM 147 N ARG A 10 -2.753 -8.210 -8.189 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.660 -8.786 -7.192 1.00 0.00 C +ATOM 149 C ARG A 10 -4.273 -7.647 -6.397 1.00 0.00 C +ATOM 150 O ARG A 10 -5.485 -7.618 -6.143 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.936 -9.773 -6.249 1.00 0.00 C +ATOM 152 CG ARG A 10 -2.276 -10.947 -6.960 1.00 0.00 C +ATOM 153 CD ARG A 10 -1.513 -11.848 -5.997 1.00 0.00 C +ATOM 154 NE ARG A 10 -0.791 -12.929 -6.701 1.00 0.00 N +ATOM 155 CZ ARG A 10 0.197 -13.687 -6.176 1.00 0.00 C +ATOM 156 NH1 ARG A 10 0.621 -13.487 -4.943 1.00 0.00 N +ATOM 157 NH2 ARG A 10 0.768 -14.641 -6.904 1.00 0.00 N +ATOM 158 H ARG A 10 -1.783 -8.303 -8.039 1.00 0.00 H +ATOM 159 HA ARG A 10 -4.445 -9.296 -7.729 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -2.172 -9.233 -5.708 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.651 -10.163 -5.539 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -3.035 -11.530 -7.459 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -1.589 -10.549 -7.692 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -0.799 -11.247 -5.451 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -2.214 -12.287 -5.303 1.00 0.00 H +ATOM 166 HE ARG A 10 -1.082 -13.066 -7.631 1.00 0.00 H +ATOM 167 HH11 ARG A 10 0.234 -12.774 -4.335 1.00 0.00 H +ATOM 168 HH12 ARG A 10 1.363 -14.027 -4.545 1.00 0.00 H +ATOM 169 HH21 ARG A 10 0.484 -14.825 -7.848 1.00 0.00 H +ATOM 170 HH22 ARG A 10 1.518 -15.196 -6.538 1.00 0.00 H +ATOM 171 N ALA A 11 -3.430 -6.671 -6.067 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.851 -5.485 -5.354 1.00 0.00 C +ATOM 173 C ALA A 11 -4.865 -4.693 -6.175 1.00 0.00 C +ATOM 174 O ALA A 11 -5.811 -4.172 -5.636 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.650 -4.612 -4.995 1.00 0.00 C +ATOM 176 H ALA A 11 -2.484 -6.775 -6.309 1.00 0.00 H +ATOM 177 HA ALA A 11 -4.327 -5.804 -4.438 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -2.979 -3.760 -4.419 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -2.169 -4.265 -5.899 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -1.945 -5.187 -4.412 1.00 0.00 H +ATOM 181 N LEU A 12 -4.671 -4.651 -7.491 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.566 -3.944 -8.400 1.00 0.00 C +ATOM 183 C LEU A 12 -6.966 -4.519 -8.392 1.00 0.00 C +ATOM 184 O LEU A 12 -7.948 -3.776 -8.451 1.00 0.00 O +ATOM 185 CB LEU A 12 -5.010 -3.934 -9.820 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.847 -2.981 -10.087 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.321 -3.175 -11.495 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.298 -1.538 -9.899 1.00 0.00 C +ATOM 189 H LEU A 12 -3.886 -5.100 -7.875 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.625 -2.922 -8.055 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.681 -4.939 -10.047 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.820 -3.687 -10.486 1.00 0.00 H +ATOM 193 HG LEU A 12 -3.047 -3.181 -9.390 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -4.112 -2.970 -12.200 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.984 -4.194 -11.623 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -2.499 -2.497 -11.669 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -5.132 -1.334 -10.553 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -3.483 -0.876 -10.151 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.589 -1.369 -8.873 1.00 0.00 H +ATOM 200 N LYS A 13 -7.056 -5.826 -8.291 1.00 0.00 N +ATOM 201 CA LYS A 13 -8.340 -6.498 -8.258 1.00 0.00 C +ATOM 202 C LYS A 13 -9.090 -6.099 -7.006 1.00 0.00 C +ATOM 203 O LYS A 13 -10.277 -5.762 -7.064 1.00 0.00 O +ATOM 204 CB LYS A 13 -8.133 -8.006 -8.295 1.00 0.00 C +ATOM 205 CG LYS A 13 -7.534 -8.490 -9.593 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.878 -9.840 -9.429 1.00 0.00 C +ATOM 207 CE LYS A 13 -6.246 -10.316 -10.730 1.00 0.00 C +ATOM 208 NZ LYS A 13 -5.469 -9.249 -11.393 1.00 0.00 N +ATOM 209 H LYS A 13 -6.227 -6.348 -8.234 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.899 -6.194 -9.130 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -7.474 -8.285 -7.486 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -9.086 -8.494 -8.155 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -8.311 -8.564 -10.340 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -6.791 -7.776 -9.914 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -6.106 -9.739 -8.681 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -7.615 -10.557 -9.101 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -5.565 -11.124 -10.502 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -7.015 -10.670 -11.398 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -4.991 -8.654 -10.684 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -6.045 -8.637 -12.008 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -4.714 -9.687 -11.968 1.00 0.00 H +ATOM 222 N GLU A 14 -8.382 -6.085 -5.891 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.956 -5.685 -4.631 1.00 0.00 C +ATOM 224 C GLU A 14 -9.261 -4.184 -4.614 1.00 0.00 C +ATOM 225 O GLU A 14 -10.281 -3.769 -4.114 1.00 0.00 O +ATOM 226 CB GLU A 14 -8.023 -6.056 -3.493 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.657 -7.533 -3.470 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.867 -8.442 -3.437 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -9.773 -8.240 -2.597 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -8.965 -9.352 -4.283 1.00 0.00 O +ATOM 231 H GLU A 14 -7.444 -6.384 -5.893 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.881 -6.229 -4.510 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -7.113 -5.482 -3.590 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.499 -5.809 -2.557 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -7.099 -7.749 -4.368 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -7.033 -7.725 -2.612 1.00 0.00 H +ATOM 237 N TRP A 15 -8.378 -3.405 -5.201 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.499 -1.949 -5.292 1.00 0.00 C +ATOM 239 C TRP A 15 -9.762 -1.553 -6.050 1.00 0.00 C +ATOM 240 O TRP A 15 -10.515 -0.691 -5.621 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.259 -1.403 -6.018 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.226 0.077 -6.223 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.652 0.762 -7.321 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.720 1.050 -5.319 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.444 2.099 -7.149 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -6.873 2.304 -5.929 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.155 0.985 -4.048 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.478 3.476 -5.319 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -5.764 2.154 -3.442 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -5.928 3.381 -4.075 1.00 0.00 C +ATOM 251 H TRP A 15 -7.568 -3.825 -5.570 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.526 -1.536 -4.295 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.375 -1.671 -5.460 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.206 -1.873 -6.990 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -8.093 0.295 -8.190 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.662 2.813 -7.790 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.021 0.040 -3.544 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.601 4.432 -5.805 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.323 2.129 -2.458 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -5.605 4.271 -3.556 1.00 0.00 H +ATOM 261 N ARG A 16 -9.983 -2.194 -7.173 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.146 -1.916 -8.002 1.00 0.00 C +ATOM 263 C ARG A 16 -12.414 -2.504 -7.390 1.00 0.00 C +ATOM 264 O ARG A 16 -13.534 -2.074 -7.705 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.911 -2.419 -9.417 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.779 -1.686 -10.114 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.490 -2.271 -11.469 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.440 -1.534 -12.178 1.00 0.00 N +ATOM 269 CZ ARG A 16 -7.942 -1.880 -13.370 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -8.350 -3.003 -13.961 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -7.041 -1.100 -13.965 1.00 0.00 N +ATOM 272 H ARG A 16 -9.331 -2.873 -7.465 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.261 -0.842 -8.030 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.667 -3.471 -9.378 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.811 -2.289 -10.000 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.049 -0.646 -10.234 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.892 -1.757 -9.502 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.179 -3.297 -11.343 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -10.395 -2.241 -12.056 1.00 0.00 H +ATOM 280 HE ARG A 16 -8.127 -0.724 -11.711 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -9.030 -3.610 -13.542 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -8.014 -3.312 -14.853 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -6.724 -0.244 -13.543 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -6.639 -1.337 -14.854 1.00 0.00 H +ATOM 285 N LYS A 17 -12.223 -3.481 -6.528 1.00 0.00 N +ATOM 286 CA LYS A 17 -13.301 -4.115 -5.776 1.00 0.00 C +ATOM 287 C LYS A 17 -13.719 -3.207 -4.629 1.00 0.00 C +ATOM 288 O LYS A 17 -14.887 -3.146 -4.263 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.787 -5.433 -5.204 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.778 -6.223 -4.361 1.00 0.00 C +ATOM 291 CD LYS A 17 -13.093 -7.399 -3.674 1.00 0.00 C +ATOM 292 CE LYS A 17 -12.436 -8.325 -4.680 1.00 0.00 C +ATOM 293 NZ LYS A 17 -11.766 -9.464 -4.032 1.00 0.00 N +ATOM 294 H LYS A 17 -11.306 -3.804 -6.398 1.00 0.00 H +ATOM 295 HA LYS A 17 -14.139 -4.311 -6.426 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -12.486 -6.057 -6.032 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.917 -5.222 -4.598 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -14.206 -5.572 -3.612 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -14.560 -6.599 -5.003 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -12.335 -7.022 -3.005 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -13.828 -7.954 -3.110 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -13.190 -8.689 -5.361 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -11.703 -7.749 -5.225 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -11.013 -9.119 -3.394 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -11.291 -10.058 -4.740 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -12.422 -10.054 -3.480 1.00 0.00 H +ATOM 307 N LEU A 18 -12.738 -2.518 -4.079 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.907 -1.629 -2.950 1.00 0.00 C +ATOM 309 C LEU A 18 -13.926 -0.542 -3.228 1.00 0.00 C +ATOM 310 O LEU A 18 -14.110 -0.112 -4.382 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.575 -0.975 -2.578 1.00 0.00 C +ATOM 312 CG LEU A 18 -10.985 -1.312 -1.208 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.687 -2.791 -1.076 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.735 -0.501 -0.985 1.00 0.00 C +ATOM 315 H LEU A 18 -11.834 -2.627 -4.444 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.219 -2.247 -2.124 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.848 -1.250 -3.327 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.717 0.094 -2.625 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.689 -1.048 -0.434 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -9.970 -3.085 -1.827 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -11.600 -3.353 -1.211 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.284 -2.988 -0.094 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.320 -0.735 -0.015 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -9.984 0.549 -1.026 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.012 -0.731 -1.752 1.00 0.00 H +ATOM 326 N GLY A 19 -14.574 -0.102 -2.171 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.540 0.954 -2.260 1.00 0.00 C +ATOM 328 C GLY A 19 -14.904 2.207 -2.792 1.00 0.00 C +ATOM 329 O GLY A 19 -13.765 2.520 -2.433 1.00 0.00 O +ATOM 330 H GLY A 19 -14.377 -0.521 -1.307 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.333 0.642 -2.925 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -15.948 1.152 -1.280 1.00 0.00 H +ATOM 333 N SER A 20 -15.622 2.910 -3.639 1.00 0.00 N +ATOM 334 CA SER A 20 -15.143 4.097 -4.326 1.00 0.00 C +ATOM 335 C SER A 20 -14.503 5.108 -3.357 1.00 0.00 C +ATOM 336 O SER A 20 -13.353 5.485 -3.520 1.00 0.00 O +ATOM 337 CB SER A 20 -16.318 4.725 -5.067 1.00 0.00 C +ATOM 338 OG SER A 20 -17.000 3.735 -5.846 1.00 0.00 O +ATOM 339 H SER A 20 -16.539 2.615 -3.823 1.00 0.00 H +ATOM 340 HA SER A 20 -14.407 3.792 -5.056 1.00 0.00 H +ATOM 341 HB2 SER A 20 -17.010 5.150 -4.354 1.00 0.00 H +ATOM 342 HB3 SER A 20 -15.953 5.497 -5.727 1.00 0.00 H +ATOM 343 HG SER A 20 -16.683 3.829 -6.754 1.00 0.00 H +ATOM 344 N THR A 21 -15.225 5.449 -2.323 1.00 0.00 N +ATOM 345 CA THR A 21 -14.790 6.424 -1.342 1.00 0.00 C +ATOM 346 C THR A 21 -13.608 5.882 -0.512 1.00 0.00 C +ATOM 347 O THR A 21 -12.727 6.641 -0.073 1.00 0.00 O +ATOM 348 CB THR A 21 -15.972 6.779 -0.420 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.111 7.143 -1.237 1.00 0.00 O +ATOM 350 CG2 THR A 21 -15.631 7.947 0.490 1.00 0.00 C +ATOM 351 H THR A 21 -16.096 5.019 -2.209 1.00 0.00 H +ATOM 352 HA THR A 21 -14.482 7.318 -1.866 1.00 0.00 H +ATOM 353 HB THR A 21 -16.209 5.908 0.173 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.673 6.359 -1.298 1.00 0.00 H +ATOM 355 HG21 THR A 21 -14.778 7.692 1.101 1.00 0.00 H +ATOM 356 HG22 THR A 21 -16.478 8.158 1.127 1.00 0.00 H +ATOM 357 HG23 THR A 21 -15.402 8.817 -0.107 1.00 0.00 H +ATOM 358 N VAL A 22 -13.578 4.575 -0.342 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.542 3.923 0.424 1.00 0.00 C +ATOM 360 C VAL A 22 -11.234 3.950 -0.361 1.00 0.00 C +ATOM 361 O VAL A 22 -10.197 4.398 0.140 1.00 0.00 O +ATOM 362 CB VAL A 22 -12.946 2.447 0.702 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -11.859 1.691 1.433 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.243 2.388 1.486 1.00 0.00 C +ATOM 365 H VAL A 22 -14.268 4.022 -0.764 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.416 4.435 1.366 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.117 1.972 -0.254 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -12.144 0.654 1.534 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -11.748 2.112 2.421 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -10.927 1.764 0.893 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.508 1.357 1.668 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -15.026 2.865 0.915 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.117 2.901 2.429 1.00 0.00 H +ATOM 374 N ARG A 23 -11.305 3.555 -1.613 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.136 3.549 -2.451 1.00 0.00 C +ATOM 376 C ARG A 23 -9.660 4.949 -2.767 1.00 0.00 C +ATOM 377 O ARG A 23 -8.468 5.179 -2.897 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.282 2.701 -3.702 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.470 3.014 -4.579 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.195 2.497 -5.962 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.332 2.635 -6.884 1.00 0.00 N +ATOM 382 CZ ARG A 23 -12.248 2.410 -8.208 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -11.070 2.146 -8.763 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.334 2.468 -8.974 1.00 0.00 N +ATOM 385 H ARG A 23 -12.169 3.254 -1.973 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.362 3.114 -1.835 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.391 2.804 -4.302 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.365 1.669 -3.390 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.316 2.478 -4.170 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.698 4.071 -4.585 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.352 3.061 -6.336 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -10.915 1.455 -5.890 1.00 0.00 H +ATOM 393 HE ARG A 23 -13.184 2.868 -6.461 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -10.222 2.113 -8.230 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -10.973 1.970 -9.748 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -14.248 2.677 -8.618 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -13.260 2.282 -9.959 1.00 0.00 H +ATOM 398 N GLU A 24 -10.594 5.880 -2.919 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.256 7.279 -3.126 1.00 0.00 C +ATOM 400 C GLU A 24 -9.402 7.809 -2.003 1.00 0.00 C +ATOM 401 O GLU A 24 -8.368 8.407 -2.252 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.508 8.133 -3.294 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.076 8.118 -4.704 1.00 0.00 C +ATOM 404 CD GLU A 24 -11.161 8.770 -5.726 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -10.267 8.078 -6.289 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -11.322 9.986 -5.995 1.00 0.00 O +ATOM 407 H GLU A 24 -11.542 5.621 -2.915 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.679 7.338 -4.037 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.257 7.714 -2.637 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.322 9.147 -2.978 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -12.209 7.085 -4.994 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -13.028 8.624 -4.704 1.00 0.00 H +ATOM 413 N GLN A 25 -9.789 7.534 -0.779 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.046 8.026 0.360 1.00 0.00 C +ATOM 415 C GLN A 25 -7.706 7.332 0.500 1.00 0.00 C +ATOM 416 O GLN A 25 -6.715 7.969 0.838 1.00 0.00 O +ATOM 417 CB GLN A 25 -9.871 7.956 1.625 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.010 8.950 1.629 1.00 0.00 C +ATOM 419 CD GLN A 25 -11.922 8.778 2.802 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -11.725 9.374 3.868 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -12.920 7.973 2.619 1.00 0.00 N +ATOM 422 H GLN A 25 -10.581 6.972 -0.632 1.00 0.00 H +ATOM 423 HA GLN A 25 -8.836 9.065 0.146 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.286 6.962 1.710 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.241 8.150 2.479 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -10.603 9.949 1.652 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -11.583 8.819 0.723 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -12.976 7.557 1.728 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -13.560 7.821 3.346 1.00 0.00 H +ATOM 430 N LEU A 26 -7.666 6.042 0.202 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.408 5.307 0.204 1.00 0.00 C +ATOM 432 C LEU A 26 -5.476 5.851 -0.865 1.00 0.00 C +ATOM 433 O LEU A 26 -4.286 6.021 -0.627 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.634 3.812 0.001 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.276 3.061 1.176 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.546 1.626 0.800 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.373 3.111 2.403 1.00 0.00 C +ATOM 438 H LEU A 26 -8.501 5.572 -0.010 1.00 0.00 H +ATOM 439 HA LEU A 26 -5.942 5.469 1.164 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.259 3.707 -0.874 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.677 3.358 -0.213 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.223 3.514 1.432 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.010 1.116 1.630 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -6.613 1.139 0.551 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.205 1.597 -0.055 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -6.262 4.131 2.738 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -5.402 2.719 2.143 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -6.800 2.513 3.194 1.00 0.00 H +ATOM 449 N LYS A 27 -6.036 6.150 -2.031 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.283 6.742 -3.124 1.00 0.00 C +ATOM 451 C LYS A 27 -4.694 8.084 -2.701 1.00 0.00 C +ATOM 452 O LYS A 27 -3.530 8.367 -2.955 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.203 6.967 -4.311 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.497 7.507 -5.536 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.480 7.940 -6.599 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.145 9.257 -6.225 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.219 9.622 -7.170 1.00 0.00 N +ATOM 458 H LYS A 27 -6.985 5.927 -2.184 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.489 6.072 -3.418 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.648 6.015 -4.562 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -6.994 7.638 -4.016 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -4.919 8.363 -5.221 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -4.840 6.747 -5.931 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -5.949 8.059 -7.531 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.237 7.179 -6.709 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -7.562 9.172 -5.233 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.394 10.036 -6.214 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -9.050 9.005 -7.021 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -7.905 9.523 -8.157 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -8.514 10.608 -7.023 1.00 0.00 H +ATOM 471 N LYS A 28 -5.504 8.887 -2.035 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.075 10.194 -1.546 1.00 0.00 C +ATOM 473 C LYS A 28 -3.979 10.043 -0.508 1.00 0.00 C +ATOM 474 O LYS A 28 -3.068 10.874 -0.433 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.249 10.965 -0.964 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.366 11.203 -1.954 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.545 11.865 -1.294 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.732 11.923 -2.223 1.00 0.00 C +ATOM 479 NZ LYS A 28 -10.875 12.605 -1.602 1.00 0.00 N +ATOM 480 H LYS A 28 -6.428 8.587 -1.892 1.00 0.00 H +ATOM 481 HA LYS A 28 -4.678 10.741 -2.388 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.650 10.410 -0.128 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -5.897 11.924 -0.615 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.004 11.838 -2.748 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -7.676 10.252 -2.362 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -8.817 11.317 -0.405 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.260 12.873 -1.029 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -9.448 12.455 -3.119 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.020 10.915 -2.483 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -11.694 12.609 -2.239 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -10.645 13.601 -1.415 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -11.166 12.151 -0.713 1.00 0.00 H +ATOM 493 N LYS A 29 -4.077 8.988 0.293 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.057 8.658 1.261 1.00 0.00 C +ATOM 495 C LYS A 29 -1.757 8.312 0.597 1.00 0.00 C +ATOM 496 O LYS A 29 -0.700 8.705 1.070 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.505 7.557 2.223 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.563 7.996 3.222 1.00 0.00 C +ATOM 499 CD LYS A 29 -4.022 9.110 4.088 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.016 9.585 5.112 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.442 10.653 5.951 1.00 0.00 N +ATOM 502 H LYS A 29 -4.883 8.429 0.262 1.00 0.00 H +ATOM 503 HA LYS A 29 -2.864 9.552 1.821 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -3.901 6.731 1.651 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.639 7.220 2.772 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -5.430 8.353 2.684 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -4.837 7.160 3.847 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -3.127 8.777 4.590 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -3.783 9.937 3.437 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -5.891 9.964 4.605 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.293 8.752 5.743 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -3.639 10.315 6.518 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -5.154 11.052 6.598 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.101 11.433 5.351 1.00 0.00 H +ATOM 515 N LEU A 30 -1.841 7.602 -0.493 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.677 7.270 -1.279 1.00 0.00 C +ATOM 517 C LEU A 30 -0.057 8.542 -1.832 1.00 0.00 C +ATOM 518 O LEU A 30 1.153 8.727 -1.790 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.061 6.336 -2.422 1.00 0.00 C +ATOM 520 CG LEU A 30 -1.684 5.009 -2.011 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.063 4.198 -3.229 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -0.742 4.233 -1.104 1.00 0.00 C +ATOM 523 H LEU A 30 -2.722 7.265 -0.766 1.00 0.00 H +ATOM 524 HA LEU A 30 0.034 6.771 -0.638 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -1.765 6.858 -3.055 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.172 6.128 -3.001 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.592 5.209 -1.460 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -1.184 4.017 -3.827 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -2.786 4.746 -3.815 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -2.490 3.256 -2.922 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -0.581 4.800 -0.198 1.00 0.00 H +ATOM 532 HD22 LEU A 30 0.203 4.081 -1.606 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -1.181 3.278 -0.859 1.00 0.00 H +ATOM 534 N VAL A 31 -0.909 9.430 -2.309 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.472 10.691 -2.869 1.00 0.00 C +ATOM 536 C VAL A 31 0.228 11.571 -1.808 1.00 0.00 C +ATOM 537 O VAL A 31 1.312 12.112 -2.063 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.679 11.452 -3.512 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -1.285 12.846 -3.964 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -2.218 10.662 -4.690 1.00 0.00 C +ATOM 541 H VAL A 31 -1.866 9.207 -2.287 1.00 0.00 H +ATOM 542 HA VAL A 31 0.240 10.468 -3.649 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.476 11.538 -2.786 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -0.489 12.780 -4.690 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -0.951 13.405 -3.102 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -2.143 13.335 -4.401 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -1.442 10.525 -5.428 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -3.054 11.188 -5.125 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -2.546 9.700 -4.323 1.00 0.00 H +ATOM 550 N GLU A 32 -0.359 11.684 -0.624 1.00 0.00 N +ATOM 551 CA GLU A 32 0.258 12.465 0.442 1.00 0.00 C +ATOM 552 C GLU A 32 1.520 11.805 0.995 1.00 0.00 C +ATOM 553 O GLU A 32 2.512 12.474 1.243 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.734 12.841 1.559 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.409 11.667 2.224 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.359 12.063 3.327 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -3.429 12.624 3.032 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -2.059 11.796 4.515 1.00 0.00 O +ATOM 559 H GLU A 32 -1.227 11.249 -0.466 1.00 0.00 H +ATOM 560 HA GLU A 32 0.586 13.374 -0.039 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.218 13.410 2.318 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.499 13.458 1.112 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -1.968 11.163 1.451 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.655 11.002 2.617 1.00 0.00 H +ATOM 565 N VAL A 33 1.488 10.481 1.131 1.00 0.00 N +ATOM 566 CA VAL A 33 2.596 9.739 1.705 1.00 0.00 C +ATOM 567 C VAL A 33 3.864 9.870 0.859 1.00 0.00 C +ATOM 568 O VAL A 33 4.941 9.832 1.378 1.00 0.00 O +ATOM 569 CB VAL A 33 2.268 8.247 2.038 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.363 7.322 0.832 1.00 0.00 C +ATOM 571 CG2 VAL A 33 3.115 7.754 3.199 1.00 0.00 C +ATOM 572 H VAL A 33 0.689 9.981 0.848 1.00 0.00 H +ATOM 573 HA VAL A 33 2.814 10.254 2.631 1.00 0.00 H +ATOM 574 HB VAL A 33 1.236 8.226 2.358 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.704 7.682 0.055 1.00 0.00 H +ATOM 576 HG12 VAL A 33 2.070 6.323 1.118 1.00 0.00 H +ATOM 577 HG13 VAL A 33 3.378 7.309 0.465 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.884 8.333 4.080 1.00 0.00 H +ATOM 579 HG22 VAL A 33 4.160 7.881 2.960 1.00 0.00 H +ATOM 580 HG23 VAL A 33 2.906 6.711 3.387 1.00 0.00 H +ATOM 581 N LEU A 34 3.703 10.046 -0.454 1.00 0.00 N +ATOM 582 CA LEU A 34 4.828 10.172 -1.398 1.00 0.00 C +ATOM 583 C LEU A 34 5.849 11.256 -1.016 1.00 0.00 C +ATOM 584 O LEU A 34 7.000 11.176 -1.451 1.00 0.00 O +ATOM 585 CB LEU A 34 4.337 10.395 -2.836 1.00 0.00 C +ATOM 586 CG LEU A 34 3.633 9.210 -3.507 1.00 0.00 C +ATOM 587 CD1 LEU A 34 3.132 9.594 -4.887 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.574 8.014 -3.602 1.00 0.00 C +ATOM 589 H LEU A 34 2.790 10.063 -0.809 1.00 0.00 H +ATOM 590 HA LEU A 34 5.361 9.234 -1.376 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.651 11.230 -2.828 1.00 0.00 H +ATOM 592 HB3 LEU A 34 5.190 10.665 -3.442 1.00 0.00 H +ATOM 593 HG LEU A 34 2.780 8.921 -2.911 1.00 0.00 H +ATOM 594 HD11 LEU A 34 2.437 10.417 -4.805 1.00 0.00 H +ATOM 595 HD12 LEU A 34 2.633 8.748 -5.337 1.00 0.00 H +ATOM 596 HD13 LEU A 34 3.970 9.888 -5.504 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.086 7.208 -4.130 1.00 0.00 H +ATOM 598 HD22 LEU A 34 4.836 7.676 -2.611 1.00 0.00 H +ATOM 599 HD23 LEU A 34 5.469 8.300 -4.134 1.00 0.00 H +ATOM 600 N GLU A 35 5.436 12.275 -0.239 1.00 0.00 N +ATOM 601 CA GLU A 35 6.380 13.316 0.207 1.00 0.00 C +ATOM 602 C GLU A 35 7.439 12.720 1.164 1.00 0.00 C +ATOM 603 O GLU A 35 8.559 13.222 1.267 1.00 0.00 O +ATOM 604 CB GLU A 35 5.663 14.490 0.901 1.00 0.00 C +ATOM 605 CG GLU A 35 4.966 14.124 2.204 1.00 0.00 C +ATOM 606 CD GLU A 35 4.438 15.321 2.944 1.00 0.00 C +ATOM 607 OE1 GLU A 35 5.211 15.951 3.701 1.00 0.00 O +ATOM 608 OE2 GLU A 35 3.247 15.652 2.810 1.00 0.00 O +ATOM 609 H GLU A 35 4.497 12.311 0.051 1.00 0.00 H +ATOM 610 HA GLU A 35 6.891 13.680 -0.673 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.388 15.261 1.117 1.00 0.00 H +ATOM 612 HB3 GLU A 35 4.923 14.888 0.224 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.138 13.467 1.985 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.672 13.607 2.838 1.00 0.00 H +ATOM 615 N SER A 36 7.071 11.665 1.851 1.00 0.00 N +ATOM 616 CA SER A 36 7.936 10.983 2.770 1.00 0.00 C +ATOM 617 C SER A 36 7.360 9.583 2.974 1.00 0.00 C +ATOM 618 O SER A 36 6.643 9.341 3.912 1.00 0.00 O +ATOM 619 CB SER A 36 8.024 11.760 4.114 1.00 0.00 C +ATOM 620 OG SER A 36 9.063 11.264 4.971 1.00 0.00 O +ATOM 621 H SER A 36 6.168 11.291 1.724 1.00 0.00 H +ATOM 622 HA SER A 36 8.917 10.889 2.333 1.00 0.00 H +ATOM 623 HB2 SER A 36 8.223 12.801 3.909 1.00 0.00 H +ATOM 624 HB3 SER A 36 7.079 11.675 4.630 1.00 0.00 H +ATOM 625 HG SER A 36 9.900 11.588 4.623 1.00 0.00 H +ATOM 626 N PRO A 37 7.573 8.662 2.009 1.00 0.00 N +ATOM 627 CA PRO A 37 6.995 7.318 2.078 1.00 0.00 C +ATOM 628 C PRO A 37 7.560 6.492 3.223 1.00 0.00 C +ATOM 629 O PRO A 37 6.898 5.596 3.747 1.00 0.00 O +ATOM 630 CB PRO A 37 7.349 6.704 0.723 1.00 0.00 C +ATOM 631 CG PRO A 37 8.533 7.470 0.268 1.00 0.00 C +ATOM 632 CD PRO A 37 8.319 8.868 0.759 1.00 0.00 C +ATOM 633 HA PRO A 37 5.922 7.365 2.183 1.00 0.00 H +ATOM 634 HB2 PRO A 37 7.573 5.655 0.843 1.00 0.00 H +ATOM 635 HB3 PRO A 37 6.518 6.829 0.043 1.00 0.00 H +ATOM 636 HG2 PRO A 37 9.428 7.050 0.704 1.00 0.00 H +ATOM 637 HG3 PRO A 37 8.595 7.454 -0.810 1.00 0.00 H +ATOM 638 HD2 PRO A 37 9.260 9.364 0.936 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.715 9.426 0.054 1.00 0.00 H +ATOM 640 N ARG A 38 8.760 6.823 3.634 1.00 0.00 N +ATOM 641 CA ARG A 38 9.419 6.118 4.695 1.00 0.00 C +ATOM 642 C ARG A 38 9.077 6.667 6.087 1.00 0.00 C +ATOM 643 O ARG A 38 9.923 7.161 6.821 1.00 0.00 O +ATOM 644 CB ARG A 38 10.936 5.931 4.417 1.00 0.00 C +ATOM 645 CG ARG A 38 11.679 7.153 3.862 1.00 0.00 C +ATOM 646 CD ARG A 38 11.901 8.247 4.889 1.00 0.00 C +ATOM 647 NE ARG A 38 12.620 9.384 4.316 1.00 0.00 N +ATOM 648 CZ ARG A 38 13.571 10.093 4.937 1.00 0.00 C +ATOM 649 NH1 ARG A 38 13.942 9.779 6.180 1.00 0.00 N +ATOM 650 NH2 ARG A 38 14.161 11.102 4.298 1.00 0.00 N +ATOM 651 H ARG A 38 9.196 7.590 3.209 1.00 0.00 H +ATOM 652 HA ARG A 38 8.958 5.140 4.671 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.415 5.654 5.344 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.055 5.116 3.718 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.637 6.840 3.479 1.00 0.00 H +ATOM 656 HG3 ARG A 38 11.097 7.555 3.046 1.00 0.00 H +ATOM 657 HD2 ARG A 38 10.943 8.582 5.257 1.00 0.00 H +ATOM 658 HD3 ARG A 38 12.481 7.838 5.701 1.00 0.00 H +ATOM 659 HE ARG A 38 12.363 9.592 3.389 1.00 0.00 H +ATOM 660 HH11 ARG A 38 13.523 9.016 6.680 1.00 0.00 H +ATOM 661 HH12 ARG A 38 14.672 10.260 6.677 1.00 0.00 H +ATOM 662 HH21 ARG A 38 13.897 11.345 3.359 1.00 0.00 H +ATOM 663 HH22 ARG A 38 14.908 11.648 4.687 1.00 0.00 H +ATOM 664 N ILE A 39 7.807 6.608 6.407 1.00 0.00 N +ATOM 665 CA ILE A 39 7.310 7.043 7.694 1.00 0.00 C +ATOM 666 C ILE A 39 7.328 5.882 8.664 1.00 0.00 C +ATOM 667 O ILE A 39 6.611 4.890 8.479 1.00 0.00 O +ATOM 668 CB ILE A 39 5.875 7.651 7.589 1.00 0.00 C +ATOM 669 CG1 ILE A 39 5.934 8.930 6.762 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.278 7.935 8.974 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.598 9.571 6.474 1.00 0.00 C +ATOM 672 H ILE A 39 7.192 6.248 5.732 1.00 0.00 H +ATOM 673 HA ILE A 39 7.986 7.803 8.057 1.00 0.00 H +ATOM 674 HB ILE A 39 5.240 6.942 7.082 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.528 9.658 7.294 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.412 8.714 5.818 1.00 0.00 H +ATOM 677 HG21 ILE A 39 5.222 7.012 9.533 1.00 0.00 H +ATOM 678 HG22 ILE A 39 4.287 8.348 8.861 1.00 0.00 H +ATOM 679 HG23 ILE A 39 5.900 8.640 9.503 1.00 0.00 H +ATOM 680 HD11 ILE A 39 4.770 10.441 5.855 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.127 9.865 7.401 1.00 0.00 H +ATOM 682 HD13 ILE A 39 3.967 8.873 5.944 1.00 0.00 H +ATOM 683 N GLU A 40 8.136 6.016 9.695 1.00 0.00 N +ATOM 684 CA GLU A 40 8.321 4.992 10.718 1.00 0.00 C +ATOM 685 C GLU A 40 6.999 4.572 11.374 1.00 0.00 C +ATOM 686 O GLU A 40 6.833 3.419 11.752 1.00 0.00 O +ATOM 687 CB GLU A 40 9.297 5.486 11.777 1.00 0.00 C +ATOM 688 CG GLU A 40 8.871 6.771 12.464 1.00 0.00 C +ATOM 689 CD GLU A 40 9.801 7.146 13.562 1.00 0.00 C +ATOM 690 OE1 GLU A 40 9.718 6.544 14.653 1.00 0.00 O +ATOM 691 OE2 GLU A 40 10.646 8.034 13.363 1.00 0.00 O +ATOM 692 H GLU A 40 8.665 6.842 9.771 1.00 0.00 H +ATOM 693 HA GLU A 40 8.756 4.128 10.237 1.00 0.00 H +ATOM 694 HB2 GLU A 40 9.408 4.726 12.536 1.00 0.00 H +ATOM 695 HB3 GLU A 40 10.256 5.657 11.311 1.00 0.00 H +ATOM 696 HG2 GLU A 40 8.856 7.568 11.734 1.00 0.00 H +ATOM 697 HG3 GLU A 40 7.879 6.642 12.871 1.00 0.00 H +ATOM 698 N ALA A 41 6.059 5.503 11.455 1.00 0.00 N +ATOM 699 CA ALA A 41 4.759 5.260 12.072 1.00 0.00 C +ATOM 700 C ALA A 41 3.873 4.387 11.189 1.00 0.00 C +ATOM 701 O ALA A 41 2.903 3.806 11.651 1.00 0.00 O +ATOM 702 CB ALA A 41 4.068 6.579 12.371 1.00 0.00 C +ATOM 703 H ALA A 41 6.269 6.388 11.094 1.00 0.00 H +ATOM 704 HA ALA A 41 4.930 4.748 13.008 1.00 0.00 H +ATOM 705 HB1 ALA A 41 3.865 7.095 11.444 1.00 0.00 H +ATOM 706 HB2 ALA A 41 4.711 7.188 12.988 1.00 0.00 H +ATOM 707 HB3 ALA A 41 3.140 6.390 12.890 1.00 0.00 H +ATOM 708 N ASN A 42 4.208 4.299 9.921 1.00 0.00 N +ATOM 709 CA ASN A 42 3.435 3.482 8.997 1.00 0.00 C +ATOM 710 C ASN A 42 4.160 2.191 8.715 1.00 0.00 C +ATOM 711 O ASN A 42 3.572 1.246 8.221 1.00 0.00 O +ATOM 712 CB ASN A 42 3.171 4.213 7.661 1.00 0.00 C +ATOM 713 CG ASN A 42 2.296 5.446 7.786 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.436 5.534 8.660 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.501 6.404 6.911 1.00 0.00 N +ATOM 716 H ASN A 42 5.000 4.775 9.591 1.00 0.00 H +ATOM 717 HA ASN A 42 2.488 3.258 9.464 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.114 4.524 7.240 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.694 3.524 6.977 1.00 0.00 H +ATOM 720 HD21 ASN A 42 3.191 6.280 6.225 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.949 7.212 6.976 1.00 0.00 H +ATOM 722 N LYS A 43 5.441 2.158 9.047 1.00 0.00 N +ATOM 723 CA LYS A 43 6.310 1.055 8.751 1.00 0.00 C +ATOM 724 C LYS A 43 5.883 -0.231 9.452 1.00 0.00 C +ATOM 725 O LYS A 43 5.309 -0.209 10.546 1.00 0.00 O +ATOM 726 CB LYS A 43 7.736 1.409 9.185 1.00 0.00 C +ATOM 727 CG LYS A 43 8.797 0.740 8.354 1.00 0.00 C +ATOM 728 CD LYS A 43 10.197 0.925 8.935 1.00 0.00 C +ATOM 729 CE LYS A 43 11.284 0.398 7.989 1.00 0.00 C +ATOM 730 NZ LYS A 43 11.506 1.294 6.827 1.00 0.00 N +ATOM 731 H LYS A 43 5.870 2.907 9.504 1.00 0.00 H +ATOM 732 HA LYS A 43 6.326 0.903 7.682 1.00 0.00 H +ATOM 733 HB2 LYS A 43 7.867 2.478 9.107 1.00 0.00 H +ATOM 734 HB3 LYS A 43 7.869 1.112 10.215 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.548 -0.307 8.272 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.727 1.222 7.391 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.370 1.977 9.110 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.260 0.390 9.872 1.00 0.00 H +ATOM 739 HE2 LYS A 43 12.211 0.304 8.534 1.00 0.00 H +ATOM 740 HE3 LYS A 43 10.985 -0.575 7.626 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 11.976 2.174 7.126 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 10.624 1.609 6.370 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.103 0.863 6.088 1.00 0.00 H +ATOM 744 N LEU A 44 6.104 -1.318 8.778 1.00 0.00 N +ATOM 745 CA LEU A 44 5.974 -2.633 9.329 1.00 0.00 C +ATOM 746 C LEU A 44 7.358 -3.050 9.740 1.00 0.00 C +ATOM 747 O LEU A 44 8.274 -3.044 8.916 1.00 0.00 O +ATOM 748 CB LEU A 44 5.445 -3.613 8.282 1.00 0.00 C +ATOM 749 CG LEU A 44 4.001 -3.434 7.836 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.704 -4.361 6.697 1.00 0.00 C +ATOM 751 CD2 LEU A 44 3.063 -3.748 8.968 1.00 0.00 C +ATOM 752 H LEU A 44 6.386 -1.248 7.837 1.00 0.00 H +ATOM 753 HA LEU A 44 5.309 -2.597 10.179 1.00 0.00 H +ATOM 754 HB2 LEU A 44 6.070 -3.519 7.407 1.00 0.00 H +ATOM 755 HB3 LEU A 44 5.558 -4.613 8.672 1.00 0.00 H +ATOM 756 HG LEU A 44 3.827 -2.417 7.521 1.00 0.00 H +ATOM 757 HD11 LEU A 44 4.355 -4.129 5.868 1.00 0.00 H +ATOM 758 HD12 LEU A 44 2.671 -4.231 6.412 1.00 0.00 H +ATOM 759 HD13 LEU A 44 3.874 -5.375 7.026 1.00 0.00 H +ATOM 760 HD21 LEU A 44 3.242 -4.758 9.308 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.055 -3.676 8.589 1.00 0.00 H +ATOM 762 HD23 LEU A 44 3.214 -3.051 9.778 1.00 0.00 H +ATOM 763 N ARG A 45 7.527 -3.396 10.972 1.00 0.00 N +ATOM 764 CA ARG A 45 8.840 -3.713 11.463 1.00 0.00 C +ATOM 765 C ARG A 45 9.109 -5.186 11.205 1.00 0.00 C +ATOM 766 O ARG A 45 8.261 -6.026 11.474 1.00 0.00 O +ATOM 767 CB ARG A 45 8.967 -3.383 12.952 1.00 0.00 C +ATOM 768 CG ARG A 45 10.405 -3.179 13.412 1.00 0.00 C +ATOM 769 CD ARG A 45 11.002 -1.925 12.771 1.00 0.00 C +ATOM 770 NE ARG A 45 12.391 -1.688 13.170 1.00 0.00 N +ATOM 771 CZ ARG A 45 13.015 -0.495 13.106 1.00 0.00 C +ATOM 772 NH1 ARG A 45 12.357 0.593 12.703 1.00 0.00 N +ATOM 773 NH2 ARG A 45 14.285 -0.399 13.457 1.00 0.00 N +ATOM 774 H ARG A 45 6.734 -3.495 11.539 1.00 0.00 H +ATOM 775 HA ARG A 45 9.544 -3.124 10.898 1.00 0.00 H +ATOM 776 HB2 ARG A 45 8.412 -2.480 13.158 1.00 0.00 H +ATOM 777 HB3 ARG A 45 8.541 -4.193 13.525 1.00 0.00 H +ATOM 778 HG2 ARG A 45 10.421 -3.066 14.486 1.00 0.00 H +ATOM 779 HG3 ARG A 45 10.996 -4.036 13.126 1.00 0.00 H +ATOM 780 HD2 ARG A 45 10.978 -2.024 11.696 1.00 0.00 H +ATOM 781 HD3 ARG A 45 10.407 -1.074 13.065 1.00 0.00 H +ATOM 782 HE ARG A 45 12.872 -2.487 13.480 1.00 0.00 H +ATOM 783 HH11 ARG A 45 11.389 0.571 12.439 1.00 0.00 H +ATOM 784 HH12 ARG A 45 12.787 1.497 12.643 1.00 0.00 H +ATOM 785 HH21 ARG A 45 14.813 -1.189 13.776 1.00 0.00 H +ATOM 786 HH22 ARG A 45 14.783 0.472 13.430 1.00 0.00 H +ATOM 787 N GLY A 46 10.247 -5.480 10.636 1.00 0.00 N +ATOM 788 CA GLY A 46 10.580 -6.844 10.276 1.00 0.00 C +ATOM 789 C GLY A 46 10.477 -7.001 8.788 1.00 0.00 C +ATOM 790 O GLY A 46 11.245 -7.725 8.155 1.00 0.00 O +ATOM 791 H GLY A 46 10.880 -4.760 10.430 1.00 0.00 H +ATOM 792 HA2 GLY A 46 11.589 -7.062 10.590 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.893 -7.527 10.751 1.00 0.00 H +ATOM 794 N MET A 47 9.538 -6.284 8.235 1.00 0.00 N +ATOM 795 CA MET A 47 9.339 -6.221 6.815 1.00 0.00 C +ATOM 796 C MET A 47 10.259 -5.130 6.304 1.00 0.00 C +ATOM 797 O MET A 47 10.185 -4.011 6.814 1.00 0.00 O +ATOM 798 CB MET A 47 7.884 -5.863 6.508 1.00 0.00 C +ATOM 799 CG MET A 47 6.861 -6.885 6.993 1.00 0.00 C +ATOM 800 SD MET A 47 6.948 -8.463 6.112 1.00 0.00 S +ATOM 801 CE MET A 47 6.463 -7.961 4.458 1.00 0.00 C +ATOM 802 H MET A 47 8.969 -5.750 8.825 1.00 0.00 H +ATOM 803 HA MET A 47 9.590 -7.180 6.387 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.663 -4.920 6.982 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.774 -5.748 5.440 1.00 0.00 H +ATOM 806 HG2 MET A 47 7.030 -7.066 8.043 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.872 -6.469 6.861 1.00 0.00 H +ATOM 808 HE1 MET A 47 5.476 -7.521 4.489 1.00 0.00 H +ATOM 809 HE2 MET A 47 6.437 -8.823 3.808 1.00 0.00 H +ATOM 810 HE3 MET A 47 7.163 -7.240 4.063 1.00 0.00 H +ATOM 811 N PRO A 48 11.138 -5.442 5.305 1.00 0.00 N +ATOM 812 CA PRO A 48 12.184 -4.536 4.792 1.00 0.00 C +ATOM 813 C PRO A 48 11.772 -3.071 4.756 1.00 0.00 C +ATOM 814 O PRO A 48 12.283 -2.253 5.521 1.00 0.00 O +ATOM 815 CB PRO A 48 12.459 -5.047 3.378 1.00 0.00 C +ATOM 816 CG PRO A 48 11.766 -6.369 3.258 1.00 0.00 C +ATOM 817 CD PRO A 48 11.177 -6.721 4.598 1.00 0.00 C +ATOM 818 HA PRO A 48 13.084 -4.618 5.380 1.00 0.00 H +ATOM 819 HB2 PRO A 48 12.073 -4.337 2.662 1.00 0.00 H +ATOM 820 HB3 PRO A 48 13.524 -5.151 3.235 1.00 0.00 H +ATOM 821 HG2 PRO A 48 10.978 -6.295 2.523 1.00 0.00 H +ATOM 822 HG3 PRO A 48 12.483 -7.120 2.956 1.00 0.00 H +ATOM 823 HD2 PRO A 48 10.181 -7.114 4.458 1.00 0.00 H +ATOM 824 HD3 PRO A 48 11.805 -7.433 5.113 1.00 0.00 H +ATOM 825 N ASP A 49 10.826 -2.760 3.921 1.00 0.00 N +ATOM 826 CA ASP A 49 10.318 -1.414 3.830 1.00 0.00 C +ATOM 827 C ASP A 49 8.878 -1.460 3.437 1.00 0.00 C +ATOM 828 O ASP A 49 8.473 -0.898 2.428 1.00 0.00 O +ATOM 829 CB ASP A 49 11.128 -0.558 2.845 1.00 0.00 C +ATOM 830 CG ASP A 49 11.706 0.683 3.508 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.605 0.542 4.375 1.00 0.00 O +ATOM 832 OD2 ASP A 49 11.314 1.819 3.169 1.00 0.00 O +ATOM 833 H ASP A 49 10.449 -3.460 3.349 1.00 0.00 H +ATOM 834 HA ASP A 49 10.389 -0.978 4.815 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.931 -1.151 2.432 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.477 -0.245 2.042 1.00 0.00 H +ATOM 837 N CYS A 50 8.108 -2.176 4.210 1.00 0.00 N +ATOM 838 CA CYS A 50 6.699 -2.277 3.964 1.00 0.00 C +ATOM 839 C CYS A 50 5.976 -1.402 4.964 1.00 0.00 C +ATOM 840 O CYS A 50 6.411 -1.281 6.107 1.00 0.00 O +ATOM 841 CB CYS A 50 6.262 -3.728 4.066 1.00 0.00 C +ATOM 842 SG CYS A 50 7.202 -4.831 2.979 1.00 0.00 S +ATOM 843 H CYS A 50 8.484 -2.633 4.991 1.00 0.00 H +ATOM 844 HA CYS A 50 6.502 -1.907 2.969 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.393 -4.067 5.082 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.220 -3.803 3.791 1.00 0.00 H +ATOM 847 HG CYS A 50 7.358 -4.181 1.835 1.00 0.00 H +ATOM 848 N TYR A 51 4.930 -0.762 4.528 1.00 0.00 N +ATOM 849 CA TYR A 51 4.200 0.188 5.339 1.00 0.00 C +ATOM 850 C TYR A 51 2.727 -0.072 5.180 1.00 0.00 C +ATOM 851 O TYR A 51 2.299 -0.588 4.137 1.00 0.00 O +ATOM 852 CB TYR A 51 4.512 1.640 4.884 1.00 0.00 C +ATOM 853 CG TYR A 51 5.979 2.035 4.958 1.00 0.00 C +ATOM 854 CD1 TYR A 51 6.898 1.521 4.065 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.445 2.879 5.937 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.223 1.830 4.146 1.00 0.00 C +ATOM 857 CE2 TYR A 51 7.785 3.187 6.027 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.663 2.655 5.122 1.00 0.00 C +ATOM 859 OH TYR A 51 10.001 2.916 5.228 1.00 0.00 O +ATOM 860 H TYR A 51 4.617 -0.919 3.607 1.00 0.00 H +ATOM 861 HA TYR A 51 4.489 0.073 6.373 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.196 1.761 3.858 1.00 0.00 H +ATOM 863 HB3 TYR A 51 3.950 2.326 5.502 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.549 0.861 3.285 1.00 0.00 H +ATOM 865 HD2 TYR A 51 5.750 3.294 6.650 1.00 0.00 H +ATOM 866 HE1 TYR A 51 8.920 1.412 3.435 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.134 3.854 6.802 1.00 0.00 H +ATOM 868 HH TYR A 51 10.405 2.842 4.345 1.00 0.00 H +ATOM 869 N LYS A 52 1.958 0.257 6.188 1.00 0.00 N +ATOM 870 CA LYS A 52 0.536 0.079 6.123 1.00 0.00 C +ATOM 871 C LYS A 52 -0.169 1.391 6.425 1.00 0.00 C +ATOM 872 O LYS A 52 0.260 2.163 7.300 1.00 0.00 O +ATOM 873 CB LYS A 52 0.015 -1.044 7.085 1.00 0.00 C +ATOM 874 CG LYS A 52 0.030 -0.736 8.606 1.00 0.00 C +ATOM 875 CD LYS A 52 1.427 -0.708 9.221 1.00 0.00 C +ATOM 876 CE LYS A 52 1.369 -0.353 10.703 1.00 0.00 C +ATOM 877 NZ LYS A 52 2.692 -0.441 11.384 1.00 0.00 N +ATOM 878 H LYS A 52 2.365 0.662 6.987 1.00 0.00 H +ATOM 879 HA LYS A 52 0.300 -0.201 5.107 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -1.005 -1.268 6.816 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.611 -1.929 6.916 1.00 0.00 H +ATOM 882 HG2 LYS A 52 -0.424 0.231 8.766 1.00 0.00 H +ATOM 883 HG3 LYS A 52 -0.563 -1.486 9.110 1.00 0.00 H +ATOM 884 HD2 LYS A 52 1.879 -1.680 9.108 1.00 0.00 H +ATOM 885 HD3 LYS A 52 2.025 0.029 8.707 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.014 0.662 10.774 1.00 0.00 H +ATOM 887 HE3 LYS A 52 0.667 -1.012 11.193 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 2.610 -0.094 12.363 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 3.454 0.087 10.911 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 3.009 -1.428 11.453 1.00 0.00 H +ATOM 891 N ILE A 53 -1.210 1.653 5.700 1.00 0.00 N +ATOM 892 CA ILE A 53 -2.044 2.804 5.931 1.00 0.00 C +ATOM 893 C ILE A 53 -3.458 2.320 6.160 1.00 0.00 C +ATOM 894 O ILE A 53 -3.939 1.450 5.435 1.00 0.00 O +ATOM 895 CB ILE A 53 -2.008 3.826 4.743 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.581 4.380 4.551 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -2.997 4.973 4.985 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.443 5.387 3.421 1.00 0.00 C +ATOM 899 H ILE A 53 -1.433 1.040 4.963 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.694 3.287 6.831 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.308 3.309 3.843 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.276 4.876 5.459 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.091 3.558 4.355 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -2.964 5.659 4.151 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.727 5.496 5.890 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.995 4.573 5.086 1.00 0.00 H +ATOM 907 HD11 ILE A 53 0.592 5.682 3.326 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -1.038 6.258 3.651 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -0.785 4.950 2.495 1.00 0.00 H +ATOM 910 N LYS A 54 -4.089 2.826 7.186 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.443 2.452 7.505 1.00 0.00 C +ATOM 912 C LYS A 54 -6.412 3.613 7.325 1.00 0.00 C +ATOM 913 O LYS A 54 -6.026 4.792 7.438 1.00 0.00 O +ATOM 914 CB LYS A 54 -5.537 1.792 8.909 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.786 2.507 10.030 1.00 0.00 C +ATOM 916 CD LYS A 54 -5.391 3.845 10.404 1.00 0.00 C +ATOM 917 CE LYS A 54 -4.474 4.567 11.343 1.00 0.00 C +ATOM 918 NZ LYS A 54 -5.005 5.868 11.785 1.00 0.00 N +ATOM 919 H LYS A 54 -3.639 3.491 7.747 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.707 1.710 6.770 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -6.576 1.737 9.198 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -5.149 0.788 8.840 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.790 1.876 10.907 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -3.764 2.658 9.713 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -5.528 4.436 9.511 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -6.342 3.684 10.888 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -4.299 3.934 12.199 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -3.551 4.716 10.804 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -5.888 5.756 12.323 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -5.184 6.505 10.985 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -4.312 6.329 12.409 1.00 0.00 H +ATOM 932 N LEU A 55 -7.634 3.297 6.990 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.643 4.287 6.850 1.00 0.00 C +ATOM 934 C LEU A 55 -9.467 4.487 8.086 1.00 0.00 C +ATOM 935 O LEU A 55 -9.899 3.535 8.754 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.557 4.057 5.663 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.042 4.482 4.291 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -10.143 4.338 3.283 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -8.520 5.917 4.307 1.00 0.00 C +ATOM 940 H LEU A 55 -7.854 2.359 6.795 1.00 0.00 H +ATOM 941 HA LEU A 55 -8.119 5.210 6.672 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -9.773 2.999 5.623 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -10.481 4.574 5.862 1.00 0.00 H +ATOM 944 HG LEU A 55 -8.244 3.830 3.971 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -9.796 4.662 2.313 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -10.993 4.934 3.580 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -10.425 3.299 3.232 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -8.247 6.202 3.301 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -7.640 5.981 4.928 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -9.283 6.585 4.677 1.00 0.00 H +ATOM 951 N ARG A 56 -9.681 5.740 8.350 1.00 0.00 N +ATOM 952 CA ARG A 56 -10.508 6.249 9.424 1.00 0.00 C +ATOM 953 C ARG A 56 -11.977 5.809 9.262 1.00 0.00 C +ATOM 954 O ARG A 56 -12.677 5.573 10.248 1.00 0.00 O +ATOM 955 CB ARG A 56 -10.419 7.789 9.388 1.00 0.00 C +ATOM 956 CG ARG A 56 -10.782 8.373 8.017 1.00 0.00 C +ATOM 957 CD ARG A 56 -10.646 9.872 7.946 1.00 0.00 C +ATOM 958 NE ARG A 56 -10.899 10.348 6.577 1.00 0.00 N +ATOM 959 CZ ARG A 56 -10.672 11.582 6.123 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -10.241 12.532 6.937 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -10.906 11.854 4.853 1.00 0.00 N +ATOM 962 H ARG A 56 -9.212 6.396 7.788 1.00 0.00 H +ATOM 963 HA ARG A 56 -10.116 5.911 10.371 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -11.087 8.203 10.127 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -9.406 8.084 9.618 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -10.132 7.941 7.269 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -11.801 8.099 7.789 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -11.353 10.327 8.624 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -9.640 10.147 8.225 1.00 0.00 H +ATOM 970 HE ARG A 56 -11.256 9.675 5.951 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -10.082 12.361 7.912 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -10.051 13.470 6.636 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -11.244 11.137 4.232 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -10.797 12.767 4.452 1.00 0.00 H +ATOM 975 N SER A 57 -12.407 5.673 8.020 1.00 0.00 N +ATOM 976 CA SER A 57 -13.779 5.400 7.690 1.00 0.00 C +ATOM 977 C SER A 57 -14.226 3.956 8.041 1.00 0.00 C +ATOM 978 O SER A 57 -14.740 3.707 9.128 1.00 0.00 O +ATOM 979 CB SER A 57 -13.983 5.705 6.211 1.00 0.00 C +ATOM 980 OG SER A 57 -13.369 6.946 5.882 1.00 0.00 O +ATOM 981 H SER A 57 -11.787 5.807 7.275 1.00 0.00 H +ATOM 982 HA SER A 57 -14.389 6.092 8.252 1.00 0.00 H +ATOM 983 HB2 SER A 57 -13.539 4.925 5.611 1.00 0.00 H +ATOM 984 HB3 SER A 57 -15.038 5.778 5.995 1.00 0.00 H +ATOM 985 HG SER A 57 -14.073 7.566 5.650 1.00 0.00 H +ATOM 986 N SER A 58 -13.995 3.021 7.152 1.00 0.00 N +ATOM 987 CA SER A 58 -14.477 1.673 7.325 1.00 0.00 C +ATOM 988 C SER A 58 -13.392 0.679 7.788 1.00 0.00 C +ATOM 989 O SER A 58 -13.663 -0.518 7.962 1.00 0.00 O +ATOM 990 CB SER A 58 -15.118 1.265 6.020 1.00 0.00 C +ATOM 991 OG SER A 58 -14.368 1.816 4.935 1.00 0.00 O +ATOM 992 H SER A 58 -13.541 3.196 6.300 1.00 0.00 H +ATOM 993 HA SER A 58 -15.254 1.699 8.074 1.00 0.00 H +ATOM 994 HB2 SER A 58 -15.123 0.188 5.945 1.00 0.00 H +ATOM 995 HB3 SER A 58 -16.129 1.644 5.972 1.00 0.00 H +ATOM 996 HG SER A 58 -14.906 1.712 4.144 1.00 0.00 H +ATOM 997 N GLY A 59 -12.190 1.178 8.010 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.114 0.331 8.500 1.00 0.00 C +ATOM 999 C GLY A 59 -10.474 -0.531 7.427 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.268 -1.730 7.610 1.00 0.00 O +ATOM 1001 H GLY A 59 -12.042 2.135 7.871 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.349 0.963 8.924 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.500 -0.308 9.280 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.180 0.056 6.310 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.462 -0.647 5.284 1.00 0.00 C +ATOM 1006 C TYR A 60 -8.003 -0.302 5.381 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.654 0.811 5.774 1.00 0.00 O +ATOM 1008 CB TYR A 60 -10.027 -0.369 3.890 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.316 -1.117 3.605 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.535 -0.667 4.081 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.301 -2.283 2.857 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.703 -1.360 3.818 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.460 -2.979 2.592 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.657 -2.513 3.075 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.821 -3.208 2.809 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.428 0.989 6.164 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.563 -1.699 5.505 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.227 0.688 3.794 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.298 -0.660 3.149 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.569 0.240 4.664 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.357 -2.648 2.477 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.646 -0.994 4.198 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.424 -3.885 2.007 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.490 -2.571 2.533 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.167 -1.254 5.083 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.741 -1.091 5.181 1.00 0.00 C +ATOM 1027 C ARG A 61 -5.123 -1.331 3.833 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.635 -2.122 3.030 1.00 0.00 O +ATOM 1029 CB ARG A 61 -5.087 -2.079 6.172 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.451 -1.962 7.658 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.878 -2.389 7.964 1.00 0.00 C +ATOM 1032 NE ARG A 61 -7.049 -2.712 9.384 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -8.034 -3.470 9.878 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -9.137 -3.675 9.170 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.946 -3.954 11.111 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.515 -2.097 4.717 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.528 -0.083 5.502 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.347 -3.080 5.862 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -4.016 -1.974 6.078 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.779 -2.584 8.231 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -5.319 -0.933 7.956 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -7.548 -1.584 7.701 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -7.114 -3.263 7.375 1.00 0.00 H +ATOM 1044 HE ARG A 61 -6.304 -2.401 9.952 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -9.301 -3.254 8.273 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -9.865 -4.307 9.483 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -7.143 -3.779 11.690 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -8.693 -4.488 11.514 1.00 0.00 H +ATOM 1049 N LEU A 62 -4.049 -0.676 3.594 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.304 -0.832 2.393 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.855 -1.058 2.798 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.335 -0.330 3.648 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.502 0.431 1.528 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.935 0.436 0.102 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.585 1.544 -0.686 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.445 0.664 0.109 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.735 -0.023 4.260 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.673 -1.700 1.870 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.564 0.612 1.458 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.066 1.262 2.063 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.143 -0.507 -0.383 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -4.652 1.381 -0.693 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.212 1.526 -1.699 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.368 2.497 -0.228 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.076 0.698 -0.904 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -0.961 -0.135 0.653 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.252 1.607 0.598 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.229 -2.080 2.239 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.142 -2.418 2.574 1.00 0.00 C +ATOM 1070 C VAL A 63 1.005 -2.316 1.315 1.00 0.00 C +ATOM 1071 O VAL A 63 0.732 -2.976 0.288 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.267 -3.851 3.190 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.687 -4.117 3.686 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.731 -4.049 4.328 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.681 -2.612 1.544 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.487 -1.691 3.295 1.00 0.00 H +ATOM 1077 HB VAL A 63 0.047 -4.567 2.412 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 1.934 -3.415 4.472 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.389 -4.006 2.874 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 1.752 -5.119 4.082 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -1.735 -3.912 3.953 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.540 -3.325 5.106 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -0.628 -5.047 4.728 1.00 0.00 H +ATOM 1084 N TYR A 64 2.020 -1.505 1.384 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.885 -1.250 0.255 1.00 0.00 C +ATOM 1086 C TYR A 64 4.331 -1.343 0.662 1.00 0.00 C +ATOM 1087 O TYR A 64 4.648 -1.262 1.846 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.599 0.136 -0.364 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.755 1.322 0.582 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.005 1.822 0.924 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.651 1.939 1.118 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.137 2.894 1.771 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.770 3.010 1.967 1.00 0.00 C +ATOM 1094 CZ TYR A 64 3.016 3.487 2.292 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.145 4.546 3.159 1.00 0.00 O +ATOM 1096 H TYR A 64 2.214 -1.063 2.243 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.688 -2.005 -0.492 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.272 0.295 -1.192 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.585 0.143 -0.737 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.887 1.353 0.513 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.673 1.560 0.863 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.119 3.266 2.020 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.877 3.472 2.359 1.00 0.00 H +ATOM 1104 HH TYR A 64 3.851 5.114 2.840 1.00 0.00 H +ATOM 1105 N GLN A 65 5.191 -1.548 -0.289 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.597 -1.529 -0.033 1.00 0.00 C +ATOM 1107 C GLN A 65 7.205 -0.319 -0.708 1.00 0.00 C +ATOM 1108 O GLN A 65 6.823 0.040 -1.830 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.305 -2.806 -0.508 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.186 -3.086 -2.006 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.112 -4.191 -2.494 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.784 -4.921 -3.437 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.293 -4.291 -1.912 1.00 0.00 N +ATOM 1114 H GLN A 65 4.874 -1.683 -1.212 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.734 -1.419 1.032 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.349 -2.711 -0.255 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.896 -3.648 0.033 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.170 -3.375 -2.225 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.421 -2.177 -2.541 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.542 -3.665 -1.198 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.912 -4.988 -2.215 1.00 0.00 H +ATOM 1122 N VAL A 66 8.094 0.329 -0.036 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.791 1.432 -0.620 1.00 0.00 C +ATOM 1124 C VAL A 66 10.073 0.901 -1.188 1.00 0.00 C +ATOM 1125 O VAL A 66 10.958 0.442 -0.448 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.088 2.555 0.411 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.883 3.696 -0.227 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.792 3.085 0.988 1.00 0.00 C +ATOM 1129 H VAL A 66 8.307 0.041 0.881 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.185 1.828 -1.422 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.674 2.138 1.216 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 10.819 3.315 -0.606 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 10.076 4.457 0.513 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.312 4.122 -1.040 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.250 2.271 1.447 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.190 3.521 0.204 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 8.013 3.830 1.736 1.00 0.00 H +ATOM 1138 N ILE A 67 10.173 0.905 -2.478 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.342 0.418 -3.111 1.00 0.00 C +ATOM 1140 C ILE A 67 12.235 1.600 -3.382 1.00 0.00 C +ATOM 1141 O ILE A 67 12.064 2.308 -4.377 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.028 -0.312 -4.441 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 9.925 -1.362 -4.235 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.290 -0.983 -4.965 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.479 -2.049 -5.513 1.00 0.00 C +ATOM 1146 H ILE A 67 9.448 1.260 -3.042 1.00 0.00 H +ATOM 1147 HA ILE A 67 11.839 -0.264 -2.436 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.696 0.417 -5.165 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.285 -2.126 -3.562 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.063 -0.882 -3.797 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 12.636 -1.719 -4.257 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 13.057 -0.236 -5.103 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 12.075 -1.462 -5.910 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 9.102 -1.309 -6.205 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 8.699 -2.760 -5.287 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 10.318 -2.562 -5.959 1.00 0.00 H +ATOM 1157 N ASP A 68 13.159 1.827 -2.484 1.00 0.00 N +ATOM 1158 CA ASP A 68 14.094 2.943 -2.573 1.00 0.00 C +ATOM 1159 C ASP A 68 15.016 2.724 -3.750 1.00 0.00 C +ATOM 1160 O ASP A 68 15.427 3.663 -4.418 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.905 3.047 -1.277 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.829 4.236 -1.233 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 16.972 4.141 -1.741 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 15.444 5.279 -0.656 1.00 0.00 O +ATOM 1165 H ASP A 68 13.219 1.218 -1.715 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.532 3.854 -2.719 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 14.221 3.135 -0.447 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.492 2.148 -1.158 1.00 0.00 H +ATOM 1169 N GLU A 69 15.269 1.448 -4.026 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.118 1.003 -5.124 1.00 0.00 C +ATOM 1171 C GLU A 69 15.618 1.540 -6.470 1.00 0.00 C +ATOM 1172 O GLU A 69 16.407 1.964 -7.311 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.107 -0.521 -5.178 1.00 0.00 C +ATOM 1174 CG GLU A 69 16.539 -1.193 -3.893 1.00 0.00 C +ATOM 1175 CD GLU A 69 16.424 -2.692 -3.959 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 15.335 -3.240 -3.660 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 17.413 -3.355 -4.300 1.00 0.00 O +ATOM 1178 H GLU A 69 14.872 0.780 -3.426 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.130 1.331 -4.940 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.105 -0.854 -5.410 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 16.765 -0.845 -5.970 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 17.570 -0.937 -3.697 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 15.922 -0.829 -3.087 1.00 0.00 H +ATOM 1184 N LYS A 70 14.311 1.542 -6.647 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.713 1.943 -7.915 1.00 0.00 C +ATOM 1186 C LYS A 70 13.034 3.320 -7.786 1.00 0.00 C +ATOM 1187 O LYS A 70 12.586 3.894 -8.777 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.677 0.900 -8.340 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.180 -0.538 -8.391 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.039 -1.497 -8.729 1.00 0.00 C +ATOM 1191 CE LYS A 70 12.381 -2.945 -8.378 1.00 0.00 C +ATOM 1192 NZ LYS A 70 13.558 -3.451 -9.099 1.00 0.00 N +ATOM 1193 H LYS A 70 13.729 1.274 -5.906 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.490 1.990 -8.663 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 11.905 0.912 -7.588 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.262 1.162 -9.301 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 13.945 -0.615 -9.150 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 13.594 -0.803 -7.429 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 11.160 -1.204 -8.175 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 11.833 -1.431 -9.786 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 12.572 -3.004 -7.317 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 11.528 -3.565 -8.609 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 13.369 -3.502 -10.119 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 13.799 -4.406 -8.771 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 14.396 -2.857 -8.950 1.00 0.00 H +ATOM 1206 N VAL A 71 12.976 3.841 -6.550 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.331 5.142 -6.227 1.00 0.00 C +ATOM 1208 C VAL A 71 10.786 5.054 -6.480 1.00 0.00 C +ATOM 1209 O VAL A 71 10.098 6.037 -6.792 1.00 0.00 O +ATOM 1210 CB VAL A 71 13.009 6.345 -7.016 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 12.491 7.714 -6.555 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.532 6.300 -6.867 1.00 0.00 C +ATOM 1213 H VAL A 71 13.385 3.337 -5.816 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.460 5.286 -5.163 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.770 6.234 -8.064 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 12.702 7.847 -5.504 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 11.425 7.771 -6.715 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.979 8.494 -7.122 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.906 5.367 -7.262 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.792 6.378 -5.823 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.971 7.124 -7.409 1.00 0.00 H +ATOM 1222 N VAL A 72 10.239 3.882 -6.251 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.824 3.656 -6.467 1.00 0.00 C +ATOM 1224 C VAL A 72 8.218 2.914 -5.280 1.00 0.00 C +ATOM 1225 O VAL A 72 8.850 2.043 -4.679 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.534 2.891 -7.818 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.142 1.510 -7.826 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.044 2.810 -8.124 1.00 0.00 C +ATOM 1229 H VAL A 72 10.787 3.158 -5.881 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.359 4.630 -6.517 1.00 0.00 H +ATOM 1231 HB VAL A 72 9.010 3.445 -8.612 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 8.713 0.920 -7.031 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 10.201 1.621 -7.666 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 8.957 1.043 -8.782 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.548 2.273 -7.328 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.894 2.286 -9.056 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.629 3.803 -8.197 1.00 0.00 H +ATOM 1238 N VAL A 73 7.045 3.309 -4.923 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.286 2.703 -3.884 1.00 0.00 C +ATOM 1240 C VAL A 73 5.318 1.716 -4.534 1.00 0.00 C +ATOM 1241 O VAL A 73 4.475 2.103 -5.344 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.515 3.786 -3.098 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.643 3.175 -2.034 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.482 4.788 -2.482 1.00 0.00 C +ATOM 1245 H VAL A 73 6.630 4.065 -5.395 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.956 2.177 -3.220 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.893 4.318 -3.802 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 4.118 3.958 -1.506 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 5.261 2.625 -1.339 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.929 2.507 -2.490 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 7.051 5.267 -3.265 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 7.159 4.273 -1.816 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 5.929 5.534 -1.931 1.00 0.00 H +ATOM 1254 N PHE A 74 5.461 0.470 -4.207 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.691 -0.583 -4.823 1.00 0.00 C +ATOM 1256 C PHE A 74 3.664 -1.132 -3.847 1.00 0.00 C +ATOM 1257 O PHE A 74 4.020 -1.654 -2.788 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.648 -1.693 -5.283 1.00 0.00 C +ATOM 1259 CG PHE A 74 4.995 -2.870 -5.954 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.591 -2.794 -7.272 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 4.809 -4.062 -5.268 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.015 -3.878 -7.896 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.230 -5.150 -5.886 1.00 0.00 C +ATOM 1264 CZ PHE A 74 3.835 -5.056 -7.204 1.00 0.00 C +ATOM 1265 H PHE A 74 6.093 0.235 -3.490 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.188 -0.182 -5.690 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.358 -1.273 -5.979 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.189 -2.058 -4.423 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 4.733 -1.872 -7.817 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.120 -4.132 -4.236 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 3.704 -3.802 -8.927 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.090 -6.073 -5.344 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.383 -5.903 -7.697 1.00 0.00 H +ATOM 1274 N VAL A 75 2.402 -0.998 -4.188 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.333 -1.529 -3.371 1.00 0.00 C +ATOM 1276 C VAL A 75 1.248 -3.023 -3.599 1.00 0.00 C +ATOM 1277 O VAL A 75 1.040 -3.475 -4.732 1.00 0.00 O +ATOM 1278 CB VAL A 75 -0.034 -0.867 -3.708 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.171 -1.466 -2.878 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.041 0.639 -3.502 1.00 0.00 C +ATOM 1281 H VAL A 75 2.179 -0.532 -5.025 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.576 -1.341 -2.335 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.251 -1.055 -4.749 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.265 -2.518 -3.106 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -2.101 -0.966 -3.102 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -0.948 -1.353 -1.827 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.327 0.852 -2.483 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 -0.923 1.079 -3.706 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.777 1.055 -4.175 1.00 0.00 H +ATOM 1290 N ILE A 76 1.406 -3.777 -2.534 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.391 -5.218 -2.629 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.019 -5.717 -2.384 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.510 -6.616 -3.062 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.330 -5.884 -1.572 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.751 -5.287 -1.621 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.391 -7.397 -1.812 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.689 -5.824 -0.539 1.00 0.00 C +ATOM 1298 H ILE A 76 1.526 -3.355 -1.657 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.716 -5.506 -3.618 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.904 -5.715 -0.593 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.192 -5.512 -2.580 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.685 -4.215 -1.506 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 3.063 -7.849 -1.099 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 2.749 -7.589 -2.812 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 1.403 -7.819 -1.696 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 5.662 -5.366 -0.636 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.790 -6.894 -0.638 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 4.289 -5.604 0.440 1.00 0.00 H +ATOM 1309 N SER A 77 -0.679 -5.132 -1.408 1.00 0.00 N +ATOM 1310 CA SER A 77 -1.995 -5.568 -1.037 1.00 0.00 C +ATOM 1311 C SER A 77 -2.823 -4.417 -0.518 1.00 0.00 C +ATOM 1312 O SER A 77 -2.288 -3.428 0.002 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.889 -6.646 0.030 1.00 0.00 C +ATOM 1314 OG SER A 77 -1.141 -7.735 -0.442 1.00 0.00 O +ATOM 1315 H SER A 77 -0.289 -4.379 -0.911 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.473 -5.997 -1.904 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.389 -6.239 0.897 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.876 -6.988 0.301 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.940 -7.582 -1.375 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.111 -4.542 -0.662 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.033 -3.566 -0.196 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.322 -4.283 0.196 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.723 -5.253 -0.459 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.283 -2.462 -1.277 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.882 -3.027 -2.553 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.129 -1.336 -0.732 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.499 -5.333 -1.095 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.609 -3.113 0.689 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.317 -2.058 -1.540 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -6.825 -3.502 -2.325 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.208 -3.756 -2.977 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -6.043 -2.228 -3.262 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.622 -0.896 0.114 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -7.091 -1.718 -0.423 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.261 -0.586 -1.497 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.909 -3.880 1.284 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.124 -4.485 1.727 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.277 -4.378 3.212 1.00 0.00 C +ATOM 1339 O GLY A 79 -8.375 -3.293 3.747 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.512 -3.158 1.826 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.953 -3.985 1.249 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.132 -5.526 1.444 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.262 -5.486 3.886 1.00 0.00 N +ATOM 1344 CA LYS A 80 -8.451 -5.514 5.320 1.00 0.00 C +ATOM 1345 C LYS A 80 -7.310 -6.295 5.950 1.00 0.00 C +ATOM 1346 O LYS A 80 -6.701 -7.128 5.281 1.00 0.00 O +ATOM 1347 CB LYS A 80 -9.831 -6.088 5.632 1.00 0.00 C +ATOM 1348 CG LYS A 80 -10.949 -5.197 5.095 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.330 -5.798 5.229 1.00 0.00 C +ATOM 1350 CE LYS A 80 -12.742 -6.005 6.669 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -14.142 -6.466 6.759 1.00 0.00 N +ATOM 1352 H LYS A 80 -8.102 -6.340 3.432 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.395 -4.493 5.669 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -9.915 -7.066 5.180 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -9.946 -6.174 6.702 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -10.935 -4.264 5.636 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -10.750 -4.998 4.051 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -13.040 -5.133 4.761 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -12.338 -6.747 4.715 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -12.097 -6.750 7.110 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -12.639 -5.075 7.207 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -14.413 -6.633 7.749 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -14.296 -7.339 6.219 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -14.778 -5.734 6.381 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.009 -6.044 7.214 1.00 0.00 N +ATOM 1366 CA ALA A 81 -5.786 -6.593 7.797 1.00 0.00 C +ATOM 1367 C ALA A 81 -5.992 -7.296 9.132 1.00 0.00 C +ATOM 1368 O ALA A 81 -5.027 -7.747 9.747 1.00 0.00 O +ATOM 1369 CB ALA A 81 -4.761 -5.486 7.949 1.00 0.00 C +ATOM 1370 H ALA A 81 -7.625 -5.521 7.767 1.00 0.00 H +ATOM 1371 HA ALA A 81 -5.378 -7.305 7.095 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -3.831 -5.881 8.326 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -5.139 -4.746 8.639 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -4.592 -5.022 6.989 1.00 0.00 H +ATOM 1375 N GLU A 82 -7.220 -7.448 9.558 1.00 0.00 N +ATOM 1376 CA GLU A 82 -7.491 -8.071 10.849 1.00 0.00 C +ATOM 1377 C GLU A 82 -7.386 -9.588 10.781 1.00 0.00 C +ATOM 1378 O GLU A 82 -7.311 -10.258 11.804 1.00 0.00 O +ATOM 1379 CB GLU A 82 -8.829 -7.612 11.497 1.00 0.00 C +ATOM 1380 CG GLU A 82 -10.087 -7.785 10.653 1.00 0.00 C +ATOM 1381 CD GLU A 82 -10.158 -6.817 9.506 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -9.599 -7.110 8.448 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -10.730 -5.733 9.664 1.00 0.00 O +ATOM 1384 H GLU A 82 -7.988 -7.179 8.998 1.00 0.00 H +ATOM 1385 HA GLU A 82 -6.679 -7.750 11.486 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -8.974 -8.183 12.403 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -8.738 -6.570 11.764 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -10.079 -8.788 10.253 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -10.954 -7.654 11.283 1.00 0.00 H +ATOM 1390 N ALA A 83 -7.393 -10.126 9.579 1.00 0.00 N +ATOM 1391 CA ALA A 83 -7.199 -11.553 9.391 1.00 0.00 C +ATOM 1392 C ALA A 83 -5.763 -11.818 8.951 1.00 0.00 C +ATOM 1393 O ALA A 83 -5.353 -12.953 8.776 1.00 0.00 O +ATOM 1394 CB ALA A 83 -8.193 -12.098 8.376 1.00 0.00 C +ATOM 1395 H ALA A 83 -7.549 -9.561 8.791 1.00 0.00 H +ATOM 1396 HA ALA A 83 -7.365 -12.036 10.342 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -8.044 -11.606 7.427 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -9.200 -11.915 8.721 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -8.040 -13.160 8.256 1.00 0.00 H +ATOM 1400 N SER A 84 -5.015 -10.723 8.774 1.00 0.00 N +ATOM 1401 CA SER A 84 -3.601 -10.728 8.383 1.00 0.00 C +ATOM 1402 C SER A 84 -3.343 -11.324 6.976 1.00 0.00 C +ATOM 1403 O SER A 84 -2.193 -11.560 6.586 1.00 0.00 O +ATOM 1404 CB SER A 84 -2.745 -11.415 9.453 1.00 0.00 C +ATOM 1405 OG SER A 84 -2.888 -10.747 10.702 1.00 0.00 O +ATOM 1406 H SER A 84 -5.442 -9.859 8.940 1.00 0.00 H +ATOM 1407 HA SER A 84 -3.328 -9.685 8.359 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -3.064 -12.442 9.563 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -1.707 -11.387 9.157 1.00 0.00 H +ATOM 1410 HG SER A 84 -3.632 -11.163 11.159 1.00 0.00 H +ATOM 1411 N GLU A 85 -4.394 -11.458 6.194 1.00 0.00 N +ATOM 1412 CA GLU A 85 -4.331 -12.064 4.874 1.00 0.00 C +ATOM 1413 C GLU A 85 -3.518 -11.224 3.891 1.00 0.00 C +ATOM 1414 O GLU A 85 -2.911 -11.754 2.955 1.00 0.00 O +ATOM 1415 CB GLU A 85 -5.733 -12.317 4.359 1.00 0.00 C +ATOM 1416 CG GLU A 85 -6.543 -13.238 5.259 1.00 0.00 C +ATOM 1417 CD GLU A 85 -5.926 -14.607 5.402 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -5.020 -14.793 6.234 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -6.340 -15.531 4.682 1.00 0.00 O +ATOM 1420 H GLU A 85 -5.268 -11.152 6.518 1.00 0.00 H +ATOM 1421 HA GLU A 85 -3.836 -13.017 4.988 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -6.251 -11.373 4.272 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -5.667 -12.769 3.384 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -6.611 -12.793 6.240 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -7.532 -13.341 4.840 1.00 0.00 H +ATOM 1426 N VAL A 86 -3.498 -9.922 4.105 1.00 0.00 N +ATOM 1427 CA VAL A 86 -2.710 -9.024 3.261 1.00 0.00 C +ATOM 1428 C VAL A 86 -1.210 -9.167 3.544 1.00 0.00 C +ATOM 1429 O VAL A 86 -0.374 -8.862 2.704 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.146 -7.532 3.389 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -4.545 -7.334 2.827 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -3.094 -7.067 4.840 1.00 0.00 C +ATOM 1433 H VAL A 86 -4.038 -9.569 4.843 1.00 0.00 H +ATOM 1434 HA VAL A 86 -2.869 -9.342 2.241 1.00 0.00 H +ATOM 1435 HB VAL A 86 -2.462 -6.924 2.811 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -5.242 -7.950 3.376 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -4.558 -7.619 1.786 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -4.830 -6.296 2.920 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -3.763 -7.673 5.433 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -3.398 -6.032 4.899 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -2.087 -7.171 5.215 1.00 0.00 H +ATOM 1442 N TYR A 87 -0.875 -9.683 4.715 1.00 0.00 N +ATOM 1443 CA TYR A 87 0.521 -9.859 5.076 1.00 0.00 C +ATOM 1444 C TYR A 87 1.037 -11.123 4.443 1.00 0.00 C +ATOM 1445 O TYR A 87 2.222 -11.252 4.192 1.00 0.00 O +ATOM 1446 CB TYR A 87 0.725 -9.905 6.594 1.00 0.00 C +ATOM 1447 CG TYR A 87 0.258 -8.662 7.318 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 -1.071 -8.498 7.628 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 1.143 -7.657 7.681 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 -1.526 -7.385 8.280 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 0.697 -6.527 8.341 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -0.644 -6.399 8.639 1.00 0.00 C +ATOM 1453 OH TYR A 87 -1.104 -5.274 9.284 1.00 0.00 O +ATOM 1454 H TYR A 87 -1.572 -9.976 5.340 1.00 0.00 H +ATOM 1455 HA TYR A 87 1.067 -9.023 4.665 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 0.189 -10.750 6.999 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 1.778 -10.031 6.796 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 -1.756 -9.279 7.337 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 2.193 -7.765 7.448 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 -2.575 -7.301 8.511 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 1.394 -5.751 8.619 1.00 0.00 H +ATOM 1462 HH TYR A 87 -0.558 -4.527 9.013 1.00 0.00 H +ATOM 1463 N SER A 88 0.120 -12.041 4.154 1.00 0.00 N +ATOM 1464 CA SER A 88 0.450 -13.285 3.494 1.00 0.00 C +ATOM 1465 C SER A 88 0.994 -13.002 2.079 1.00 0.00 C +ATOM 1466 O SER A 88 1.906 -13.680 1.603 1.00 0.00 O +ATOM 1467 CB SER A 88 -0.789 -14.182 3.459 1.00 0.00 C +ATOM 1468 OG SER A 88 -1.316 -14.346 4.782 1.00 0.00 O +ATOM 1469 H SER A 88 -0.816 -11.889 4.404 1.00 0.00 H +ATOM 1470 HA SER A 88 1.224 -13.768 4.071 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -1.545 -13.727 2.834 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -0.523 -15.150 3.065 1.00 0.00 H +ATOM 1473 HG SER A 88 -0.573 -14.629 5.333 1.00 0.00 H +ATOM 1474 N GLU A 89 0.447 -11.977 1.434 1.00 0.00 N +ATOM 1475 CA GLU A 89 0.956 -11.529 0.152 1.00 0.00 C +ATOM 1476 C GLU A 89 2.283 -10.837 0.333 1.00 0.00 C +ATOM 1477 O GLU A 89 3.262 -11.185 -0.310 1.00 0.00 O +ATOM 1478 CB GLU A 89 -0.015 -10.578 -0.525 1.00 0.00 C +ATOM 1479 CG GLU A 89 -1.191 -11.234 -1.201 1.00 0.00 C +ATOM 1480 CD GLU A 89 -0.752 -12.080 -2.365 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -0.017 -11.576 -3.240 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -1.098 -13.286 -2.412 1.00 0.00 O +ATOM 1483 H GLU A 89 -0.316 -11.508 1.832 1.00 0.00 H +ATOM 1484 HA GLU A 89 1.095 -12.395 -0.477 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -0.396 -9.891 0.216 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 0.528 -10.012 -1.268 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -1.698 -11.863 -0.483 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -1.866 -10.471 -1.559 1.00 0.00 H +ATOM 1489 N ALA A 90 2.311 -9.894 1.259 1.00 0.00 N +ATOM 1490 CA ALA A 90 3.485 -9.085 1.528 1.00 0.00 C +ATOM 1491 C ALA A 90 4.728 -9.920 1.848 1.00 0.00 C +ATOM 1492 O ALA A 90 5.768 -9.756 1.213 1.00 0.00 O +ATOM 1493 CB ALA A 90 3.194 -8.092 2.643 1.00 0.00 C +ATOM 1494 H ALA A 90 1.491 -9.723 1.769 1.00 0.00 H +ATOM 1495 HA ALA A 90 3.699 -8.517 0.636 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 2.301 -7.533 2.402 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 4.026 -7.411 2.744 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 3.048 -8.625 3.571 1.00 0.00 H +ATOM 1499 N VAL A 91 4.604 -10.844 2.788 1.00 0.00 N +ATOM 1500 CA VAL A 91 5.745 -11.632 3.236 1.00 0.00 C +ATOM 1501 C VAL A 91 6.269 -12.575 2.122 1.00 0.00 C +ATOM 1502 O VAL A 91 7.483 -12.718 1.933 1.00 0.00 O +ATOM 1503 CB VAL A 91 5.431 -12.413 4.562 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 4.418 -13.540 4.369 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 6.698 -12.916 5.225 1.00 0.00 C +ATOM 1506 H VAL A 91 3.721 -10.994 3.196 1.00 0.00 H +ATOM 1507 HA VAL A 91 6.536 -10.924 3.438 1.00 0.00 H +ATOM 1508 HB VAL A 91 4.969 -11.701 5.230 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 3.488 -13.128 4.004 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 4.246 -14.039 5.312 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 4.804 -14.249 3.650 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 6.447 -13.455 6.127 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 7.334 -12.078 5.469 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 7.212 -13.573 4.542 1.00 0.00 H +ATOM 1515 N LYS A 92 5.355 -13.145 1.343 1.00 0.00 N +ATOM 1516 CA LYS A 92 5.719 -14.068 0.264 1.00 0.00 C +ATOM 1517 C LYS A 92 6.252 -13.333 -0.956 1.00 0.00 C +ATOM 1518 O LYS A 92 7.011 -13.901 -1.759 1.00 0.00 O +ATOM 1519 CB LYS A 92 4.523 -14.937 -0.140 1.00 0.00 C +ATOM 1520 CG LYS A 92 4.150 -16.035 0.850 1.00 0.00 C +ATOM 1521 CD LYS A 92 5.230 -17.109 0.918 1.00 0.00 C +ATOM 1522 CE LYS A 92 4.790 -18.297 1.761 1.00 0.00 C +ATOM 1523 NZ LYS A 92 4.597 -17.951 3.182 1.00 0.00 N +ATOM 1524 H LYS A 92 4.408 -12.938 1.490 1.00 0.00 H +ATOM 1525 HA LYS A 92 6.498 -14.714 0.641 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 3.663 -14.295 -0.257 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 4.742 -15.400 -1.092 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 4.029 -15.597 1.829 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 3.220 -16.489 0.540 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 5.444 -17.453 -0.083 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 6.122 -16.685 1.353 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 3.852 -18.660 1.367 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 5.529 -19.080 1.679 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 5.502 -17.670 3.612 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 4.227 -18.765 3.710 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 3.927 -17.166 3.293 1.00 0.00 H +ATOM 1537 N ARG A 93 5.867 -12.087 -1.098 1.00 0.00 N +ATOM 1538 CA ARG A 93 6.257 -11.306 -2.245 1.00 0.00 C +ATOM 1539 C ARG A 93 7.692 -10.824 -2.103 1.00 0.00 C +ATOM 1540 O ARG A 93 8.397 -10.624 -3.104 1.00 0.00 O +ATOM 1541 CB ARG A 93 5.336 -10.103 -2.411 1.00 0.00 C +ATOM 1542 CG ARG A 93 5.468 -9.415 -3.753 1.00 0.00 C +ATOM 1543 CD ARG A 93 4.921 -10.293 -4.872 1.00 0.00 C +ATOM 1544 NE ARG A 93 3.481 -10.522 -4.705 1.00 0.00 N +ATOM 1545 CZ ARG A 93 2.547 -9.988 -5.493 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 2.905 -9.432 -6.652 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 1.252 -10.068 -5.170 1.00 0.00 N +ATOM 1548 H ARG A 93 5.269 -11.684 -0.429 1.00 0.00 H +ATOM 1549 HA ARG A 93 6.173 -11.931 -3.121 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 4.314 -10.431 -2.297 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 5.564 -9.385 -1.637 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 4.917 -8.486 -3.731 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 6.512 -9.214 -3.943 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 5.096 -9.799 -5.815 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 5.431 -11.245 -4.869 1.00 0.00 H +ATOM 1556 HE ARG A 93 3.230 -11.060 -3.915 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 3.848 -9.393 -6.986 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 2.220 -8.996 -7.255 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 0.898 -10.533 -4.343 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 0.553 -9.614 -5.743 1.00 0.00 H +ATOM 1561 N ILE A 94 8.131 -10.649 -0.869 1.00 0.00 N +ATOM 1562 CA ILE A 94 9.458 -10.133 -0.617 1.00 0.00 C +ATOM 1563 C ILE A 94 10.526 -11.227 -0.748 1.00 0.00 C +ATOM 1564 O ILE A 94 10.917 -11.870 0.247 1.00 0.00 O +ATOM 1565 CB ILE A 94 9.588 -9.410 0.758 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 8.513 -8.313 0.918 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 10.974 -8.796 0.904 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 8.543 -7.225 -0.142 1.00 0.00 C +ATOM 1569 H ILE A 94 7.544 -10.873 -0.116 1.00 0.00 H +ATOM 1570 HA ILE A 94 9.651 -9.412 -1.398 1.00 0.00 H +ATOM 1571 HB ILE A 94 9.457 -10.146 1.537 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 7.535 -8.770 0.880 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 8.639 -7.841 1.882 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 11.110 -8.031 0.155 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 11.715 -9.567 0.758 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 11.081 -8.368 1.889 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 8.365 -7.659 -1.114 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 9.509 -6.743 -0.135 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 7.775 -6.495 0.072 1.00 0.00 H +ATOM 1580 N LEU A 95 10.857 -11.500 -1.995 1.00 0.00 N +ATOM 1581 CA LEU A 95 11.906 -12.344 -2.461 1.00 0.00 C +ATOM 1582 C LEU A 95 11.616 -12.473 -3.945 1.00 0.00 C +ATOM 1583 O LEU A 95 11.999 -11.575 -4.708 1.00 0.00 O +ATOM 1584 CB LEU A 95 11.856 -13.720 -1.799 1.00 0.00 C +ATOM 1585 CG LEU A 95 13.144 -14.548 -1.779 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 13.693 -14.876 -3.168 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 14.209 -13.906 -0.901 1.00 0.00 C +ATOM 1588 OXT LEU A 95 10.887 -13.414 -4.333 1.00 0.00 O +ATOM 1589 H LEU A 95 10.319 -11.143 -2.727 1.00 0.00 H +ATOM 1590 HA LEU A 95 12.857 -11.856 -2.305 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 11.554 -13.570 -0.772 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 11.088 -14.294 -2.293 1.00 0.00 H +ATOM 1593 HG LEU A 95 12.829 -15.453 -1.297 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 14.607 -15.441 -3.065 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 13.896 -13.960 -3.702 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 12.972 -15.461 -3.721 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 14.444 -12.920 -1.275 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 15.101 -14.515 -0.917 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 13.843 -13.829 0.111 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 2 +ATOM 1 N MET A 1 10.726 15.915 -2.601 1.00 0.00 N +ATOM 2 CA MET A 1 10.985 14.608 -3.191 1.00 0.00 C +ATOM 3 C MET A 1 9.729 13.782 -3.156 1.00 0.00 C +ATOM 4 O MET A 1 9.013 13.777 -2.164 1.00 0.00 O +ATOM 5 CB MET A 1 12.117 13.889 -2.453 1.00 0.00 C +ATOM 6 CG MET A 1 12.424 12.491 -2.970 1.00 0.00 C +ATOM 7 SD MET A 1 12.894 12.483 -4.711 1.00 0.00 S +ATOM 8 CE MET A 1 13.101 10.732 -4.985 1.00 0.00 C +ATOM 9 H MET A 1 10.407 15.795 -1.620 1.00 0.00 H +ATOM 10 HA MET A 1 11.269 14.755 -4.221 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.016 14.479 -2.543 1.00 0.00 H +ATOM 12 HB3 MET A 1 11.835 13.807 -1.416 1.00 0.00 H +ATOM 13 HG2 MET A 1 13.236 12.074 -2.392 1.00 0.00 H +ATOM 14 HG3 MET A 1 11.547 11.874 -2.846 1.00 0.00 H +ATOM 15 HE1 MET A 1 13.394 10.563 -6.011 1.00 0.00 H +ATOM 16 HE2 MET A 1 12.168 10.226 -4.785 1.00 0.00 H +ATOM 17 HE3 MET A 1 13.866 10.356 -4.324 1.00 0.00 H +ATOM 18 N ALA A 2 9.466 13.101 -4.228 1.00 0.00 N +ATOM 19 CA ALA A 2 8.300 12.265 -4.342 1.00 0.00 C +ATOM 20 C ALA A 2 8.678 10.977 -5.035 1.00 0.00 C +ATOM 21 O ALA A 2 9.739 10.887 -5.655 1.00 0.00 O +ATOM 22 CB ALA A 2 7.195 12.981 -5.112 1.00 0.00 C +ATOM 23 H ALA A 2 10.102 13.152 -4.974 1.00 0.00 H +ATOM 24 HA ALA A 2 7.944 12.042 -3.348 1.00 0.00 H +ATOM 25 HB1 ALA A 2 6.328 12.341 -5.174 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.544 13.212 -6.107 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.932 13.893 -4.597 1.00 0.00 H +ATOM 28 N TYR A 3 7.841 9.995 -4.924 1.00 0.00 N +ATOM 29 CA TYR A 3 8.077 8.704 -5.532 1.00 0.00 C +ATOM 30 C TYR A 3 6.999 8.425 -6.558 1.00 0.00 C +ATOM 31 O TYR A 3 6.035 9.205 -6.695 1.00 0.00 O +ATOM 32 CB TYR A 3 8.037 7.587 -4.471 1.00 0.00 C +ATOM 33 CG TYR A 3 9.170 7.559 -3.461 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.398 8.614 -2.586 1.00 0.00 C +ATOM 35 CD2 TYR A 3 9.999 6.451 -3.374 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.418 8.563 -1.662 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.013 6.390 -2.448 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.218 7.445 -1.595 1.00 0.00 C +ATOM 39 OH TYR A 3 12.221 7.384 -0.662 1.00 0.00 O +ATOM 40 H TYR A 3 7.009 10.129 -4.425 1.00 0.00 H +ATOM 41 HA TYR A 3 9.048 8.706 -6.003 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.121 7.681 -3.906 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.026 6.636 -4.985 1.00 0.00 H +ATOM 44 HD1 TYR A 3 8.767 9.489 -2.643 1.00 0.00 H +ATOM 45 HD2 TYR A 3 9.839 5.622 -4.047 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.581 9.392 -0.990 1.00 0.00 H +ATOM 47 HE2 TYR A 3 11.647 5.519 -2.396 1.00 0.00 H +ATOM 48 HH TYR A 3 12.972 6.876 -1.018 1.00 0.00 H +ATOM 49 N PHE A 4 7.168 7.356 -7.287 1.00 0.00 N +ATOM 50 CA PHE A 4 6.152 6.876 -8.193 1.00 0.00 C +ATOM 51 C PHE A 4 5.248 5.944 -7.407 1.00 0.00 C +ATOM 52 O PHE A 4 5.638 5.471 -6.347 1.00 0.00 O +ATOM 53 CB PHE A 4 6.785 6.119 -9.373 1.00 0.00 C +ATOM 54 CG PHE A 4 7.675 6.959 -10.247 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.133 7.800 -11.203 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.053 6.903 -10.115 1.00 0.00 C +ATOM 57 CE1 PHE A 4 7.948 8.568 -12.010 1.00 0.00 C +ATOM 58 CE2 PHE A 4 9.873 7.667 -10.918 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.320 8.500 -11.867 1.00 0.00 C +ATOM 60 H PHE A 4 8.013 6.857 -7.208 1.00 0.00 H +ATOM 61 HA PHE A 4 5.581 7.718 -8.556 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.392 5.320 -8.975 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.008 5.690 -9.987 1.00 0.00 H +ATOM 64 HD1 PHE A 4 6.060 7.852 -11.313 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.487 6.251 -9.371 1.00 0.00 H +ATOM 66 HE1 PHE A 4 7.509 9.219 -12.751 1.00 0.00 H +ATOM 67 HE2 PHE A 4 10.945 7.614 -10.804 1.00 0.00 H +ATOM 68 HZ PHE A 4 9.961 9.098 -12.498 1.00 0.00 H +ATOM 69 N LEU A 5 4.066 5.697 -7.886 1.00 0.00 N +ATOM 70 CA LEU A 5 3.146 4.813 -7.193 1.00 0.00 C +ATOM 71 C LEU A 5 2.690 3.735 -8.175 1.00 0.00 C +ATOM 72 O LEU A 5 2.270 4.056 -9.301 1.00 0.00 O +ATOM 73 CB LEU A 5 1.929 5.638 -6.676 1.00 0.00 C +ATOM 74 CG LEU A 5 1.070 5.058 -5.511 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.431 3.720 -5.837 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.878 4.964 -4.237 1.00 0.00 C +ATOM 77 H LEU A 5 3.787 6.102 -8.735 1.00 0.00 H +ATOM 78 HA LEU A 5 3.658 4.359 -6.358 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.300 6.601 -6.355 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.276 5.803 -7.520 1.00 0.00 H +ATOM 81 HG LEU A 5 0.258 5.747 -5.329 1.00 0.00 H +ATOM 82 HD11 LEU A 5 1.203 3.026 -6.140 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.299 3.832 -6.624 1.00 0.00 H +ATOM 84 HD13 LEU A 5 -0.048 3.337 -4.947 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.741 4.338 -4.404 1.00 0.00 H +ATOM 86 HD22 LEU A 5 1.269 4.524 -3.463 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.194 5.949 -3.930 1.00 0.00 H +ATOM 88 N ASP A 6 2.786 2.479 -7.793 1.00 0.00 N +ATOM 89 CA ASP A 6 2.292 1.403 -8.646 1.00 0.00 C +ATOM 90 C ASP A 6 1.664 0.323 -7.761 1.00 0.00 C +ATOM 91 O ASP A 6 1.830 0.346 -6.536 1.00 0.00 O +ATOM 92 CB ASP A 6 3.411 0.812 -9.532 1.00 0.00 C +ATOM 93 CG ASP A 6 2.890 0.159 -10.818 1.00 0.00 C +ATOM 94 OD1 ASP A 6 1.767 -0.375 -10.843 1.00 0.00 O +ATOM 95 OD2 ASP A 6 3.571 0.240 -11.852 1.00 0.00 O +ATOM 96 H ASP A 6 3.177 2.250 -6.917 1.00 0.00 H +ATOM 97 HA ASP A 6 1.515 1.823 -9.268 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.097 1.598 -9.808 1.00 0.00 H +ATOM 99 HB3 ASP A 6 3.944 0.064 -8.965 1.00 0.00 H +ATOM 100 N PHE A 7 0.976 -0.611 -8.365 1.00 0.00 N +ATOM 101 CA PHE A 7 0.244 -1.634 -7.656 1.00 0.00 C +ATOM 102 C PHE A 7 0.597 -3.009 -8.206 1.00 0.00 C +ATOM 103 O PHE A 7 0.788 -3.176 -9.427 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.277 -1.447 -7.837 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.857 -0.131 -7.384 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -1.907 0.956 -8.246 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.376 0.010 -6.110 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.456 2.156 -7.840 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.930 1.208 -5.699 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.968 2.282 -6.566 1.00 0.00 C +ATOM 111 H PHE A 7 1.007 -0.633 -9.350 1.00 0.00 H +ATOM 112 HA PHE A 7 0.476 -1.579 -6.605 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.511 -1.549 -8.886 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.783 -2.237 -7.301 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.505 0.858 -9.244 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.344 -0.829 -5.431 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.487 2.995 -8.520 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.331 1.305 -4.701 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.400 3.219 -6.248 1.00 0.00 H +ATOM 120 N ASP A 8 0.695 -3.968 -7.318 1.00 0.00 N +ATOM 121 CA ASP A 8 0.857 -5.375 -7.670 1.00 0.00 C +ATOM 122 C ASP A 8 -0.480 -5.831 -8.236 1.00 0.00 C +ATOM 123 O ASP A 8 -1.518 -5.228 -7.912 1.00 0.00 O +ATOM 124 CB ASP A 8 1.183 -6.198 -6.403 1.00 0.00 C +ATOM 125 CG ASP A 8 1.618 -7.630 -6.686 1.00 0.00 C +ATOM 126 OD1 ASP A 8 0.786 -8.455 -7.134 1.00 0.00 O +ATOM 127 OD2 ASP A 8 2.809 -7.941 -6.471 1.00 0.00 O +ATOM 128 H ASP A 8 0.677 -3.731 -6.363 1.00 0.00 H +ATOM 129 HA ASP A 8 1.639 -5.483 -8.407 1.00 0.00 H +ATOM 130 HB2 ASP A 8 1.983 -5.707 -5.869 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.305 -6.223 -5.774 1.00 0.00 H +ATOM 132 N GLU A 9 -0.493 -6.852 -9.070 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.744 -7.319 -9.649 1.00 0.00 C +ATOM 134 C GLU A 9 -2.705 -7.793 -8.550 1.00 0.00 C +ATOM 135 O GLU A 9 -3.927 -7.647 -8.680 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.538 -8.448 -10.652 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.951 -9.696 -10.043 1.00 0.00 C +ATOM 138 CD GLU A 9 -1.265 -10.907 -10.843 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -2.412 -11.399 -10.741 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -0.389 -11.402 -11.569 1.00 0.00 O +ATOM 141 H GLU A 9 0.348 -7.319 -9.259 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.196 -6.477 -10.151 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.491 -8.702 -11.092 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.874 -8.104 -11.432 1.00 0.00 H +ATOM 145 HG2 GLU A 9 0.121 -9.580 -9.984 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -1.357 -9.819 -9.050 1.00 0.00 H +ATOM 147 N ARG A 10 -2.139 -8.335 -7.454 1.00 0.00 N +ATOM 148 CA ARG A 10 -2.936 -8.809 -6.330 1.00 0.00 C +ATOM 149 C ARG A 10 -3.658 -7.630 -5.721 1.00 0.00 C +ATOM 150 O ARG A 10 -4.860 -7.687 -5.455 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.051 -9.506 -5.275 1.00 0.00 C +ATOM 152 CG ARG A 10 -1.284 -10.700 -5.824 1.00 0.00 C +ATOM 153 CD ARG A 10 -0.405 -11.373 -4.774 1.00 0.00 C +ATOM 154 NE ARG A 10 0.458 -12.407 -5.383 1.00 0.00 N +ATOM 155 CZ ARG A 10 0.943 -13.505 -4.767 1.00 0.00 C +ATOM 156 NH1 ARG A 10 0.550 -13.832 -3.534 1.00 0.00 N +ATOM 157 NH2 ARG A 10 1.778 -14.313 -5.423 1.00 0.00 N +ATOM 158 H ARG A 10 -1.155 -8.412 -7.418 1.00 0.00 H +ATOM 159 HA ARG A 10 -3.666 -9.508 -6.709 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.337 -8.790 -4.895 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -2.675 -9.847 -4.461 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -1.998 -11.427 -6.179 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -0.670 -10.367 -6.646 1.00 0.00 H +ATOM 164 HD2 ARG A 10 0.217 -10.624 -4.306 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -1.034 -11.836 -4.029 1.00 0.00 H +ATOM 166 HE ARG A 10 0.691 -12.203 -6.319 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -0.128 -13.291 -3.010 1.00 0.00 H +ATOM 168 HH12 ARG A 10 0.891 -14.634 -3.042 1.00 0.00 H +ATOM 169 HH21 ARG A 10 2.051 -14.131 -6.373 1.00 0.00 H +ATOM 170 HH22 ARG A 10 2.173 -15.133 -5.000 1.00 0.00 H +ATOM 171 N ALA A 11 -2.926 -6.532 -5.597 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.449 -5.303 -5.056 1.00 0.00 C +ATOM 173 C ALA A 11 -4.496 -4.707 -5.980 1.00 0.00 C +ATOM 174 O ALA A 11 -5.477 -4.186 -5.516 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.333 -4.303 -4.810 1.00 0.00 C +ATOM 176 H ALA A 11 -1.992 -6.558 -5.893 1.00 0.00 H +ATOM 177 HA ALA A 11 -3.913 -5.532 -4.108 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.599 -4.735 -4.148 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -2.742 -3.409 -4.362 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -1.865 -4.051 -5.751 1.00 0.00 H +ATOM 181 N LEU A 12 -4.293 -4.831 -7.292 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.225 -4.283 -8.272 1.00 0.00 C +ATOM 183 C LEU A 12 -6.573 -4.948 -8.178 1.00 0.00 C +ATOM 184 O LEU A 12 -7.602 -4.283 -8.216 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.679 -4.412 -9.690 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.566 -3.445 -10.090 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.059 -3.787 -11.479 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.082 -2.006 -10.065 1.00 0.00 C +ATOM 189 H LEU A 12 -3.499 -5.310 -7.615 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.349 -3.236 -8.045 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.307 -5.419 -9.809 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.507 -4.279 -10.366 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.747 -3.528 -9.390 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -3.876 -3.723 -12.183 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.655 -4.788 -11.484 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -2.291 -3.082 -11.762 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -3.294 -1.335 -10.369 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -4.407 -1.745 -9.068 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.915 -1.909 -10.745 1.00 0.00 H +ATOM 200 N LYS A 13 -6.558 -6.250 -8.036 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.771 -7.031 -7.907 1.00 0.00 C +ATOM 202 C LYS A 13 -8.547 -6.606 -6.662 1.00 0.00 C +ATOM 203 O LYS A 13 -9.759 -6.394 -6.712 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.404 -8.507 -7.845 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.844 -9.049 -9.153 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.184 -10.398 -8.952 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.883 -11.096 -10.287 1.00 0.00 C +ATOM 208 NZ LYS A 13 -4.910 -10.375 -11.138 1.00 0.00 N +ATOM 209 H LYS A 13 -5.690 -6.709 -8.014 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.380 -6.856 -8.782 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -6.657 -8.641 -7.077 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.282 -9.078 -7.585 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.651 -9.153 -9.864 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -6.112 -8.350 -9.530 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.257 -10.199 -8.431 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -6.820 -11.020 -8.339 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -5.476 -12.074 -10.082 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -6.810 -11.212 -10.828 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -4.960 -10.758 -12.104 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -3.932 -10.584 -10.832 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -5.083 -9.353 -11.177 1.00 0.00 H +ATOM 222 N GLU A 14 -7.827 -6.423 -5.575 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.414 -5.993 -4.319 1.00 0.00 C +ATOM 224 C GLU A 14 -8.901 -4.530 -4.410 1.00 0.00 C +ATOM 225 O GLU A 14 -9.964 -4.187 -3.918 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.384 -6.165 -3.204 1.00 0.00 C +ATOM 227 CG GLU A 14 -6.931 -7.609 -3.008 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.020 -8.496 -2.460 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -8.962 -8.840 -3.187 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -7.987 -8.834 -1.263 1.00 0.00 O +ATOM 231 H GLU A 14 -6.859 -6.589 -5.604 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.261 -6.632 -4.114 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.516 -5.567 -3.440 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -7.813 -5.815 -2.276 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -6.642 -7.998 -3.974 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.077 -7.641 -2.351 1.00 0.00 H +ATOM 237 N TRP A 15 -8.119 -3.709 -5.073 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.393 -2.283 -5.279 1.00 0.00 C +ATOM 239 C TRP A 15 -9.681 -2.074 -6.090 1.00 0.00 C +ATOM 240 O TRP A 15 -10.498 -1.214 -5.767 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.174 -1.669 -5.998 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.245 -0.215 -6.344 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.642 0.315 -7.531 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.861 0.889 -5.517 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.546 1.679 -7.495 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.066 2.060 -6.270 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.369 1.004 -4.212 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.794 3.330 -5.765 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.100 2.264 -3.713 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.312 3.408 -4.487 1.00 0.00 C +ATOM 251 H TRP A 15 -7.276 -4.066 -5.436 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.503 -1.808 -4.315 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.303 -1.799 -5.375 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.018 -2.221 -6.913 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -7.986 -0.273 -8.370 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.783 2.269 -8.246 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.199 0.131 -3.600 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.954 4.224 -6.349 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.718 2.375 -2.709 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.085 4.371 -4.054 1.00 0.00 H +ATOM 261 N ARG A 16 -9.849 -2.859 -7.143 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.049 -2.770 -7.977 1.00 0.00 C +ATOM 263 C ARG A 16 -12.243 -3.414 -7.282 1.00 0.00 C +ATOM 264 O ARG A 16 -13.395 -3.164 -7.628 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.817 -3.399 -9.341 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.654 -2.781 -10.095 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.485 -3.417 -11.448 1.00 0.00 C +ATOM 268 NE ARG A 16 -10.574 -3.053 -12.373 1.00 0.00 N +ATOM 269 CZ ARG A 16 -11.162 -3.887 -13.238 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -10.936 -5.190 -13.167 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -12.017 -3.406 -14.140 1.00 0.00 N +ATOM 272 H ARG A 16 -9.141 -3.504 -7.365 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.266 -1.721 -8.106 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.614 -4.451 -9.206 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.708 -3.287 -9.939 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -9.841 -1.726 -10.223 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.751 -2.923 -9.519 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -8.537 -3.109 -11.863 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -9.490 -4.487 -11.301 1.00 0.00 H +ATOM 280 HE ARG A 16 -10.822 -2.099 -12.368 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -10.333 -5.608 -12.481 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -11.357 -5.859 -13.786 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -12.227 -2.425 -14.169 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -12.461 -3.984 -14.834 1.00 0.00 H +ATOM 285 N LYS A 17 -11.946 -4.276 -6.334 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.956 -4.917 -5.502 1.00 0.00 C +ATOM 287 C LYS A 17 -13.491 -3.906 -4.480 1.00 0.00 C +ATOM 288 O LYS A 17 -14.671 -3.926 -4.118 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.325 -6.102 -4.772 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.274 -6.907 -3.906 1.00 0.00 C +ATOM 291 CD LYS A 17 -12.534 -7.976 -3.118 1.00 0.00 C +ATOM 292 CE LYS A 17 -11.647 -7.373 -2.032 1.00 0.00 C +ATOM 293 NZ LYS A 17 -10.881 -8.408 -1.319 1.00 0.00 N +ATOM 294 H LYS A 17 -11.002 -4.511 -6.214 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.759 -5.267 -6.131 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -11.893 -6.768 -5.505 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.533 -5.717 -4.148 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -13.771 -6.239 -3.218 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -14.007 -7.379 -4.541 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -13.249 -8.637 -2.654 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -11.912 -8.532 -3.803 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -10.950 -6.681 -2.480 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -12.271 -6.846 -1.324 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -10.176 -8.829 -1.969 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -11.508 -9.163 -0.981 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -10.372 -8.007 -0.505 1.00 0.00 H +ATOM 307 N LEU A 18 -12.598 -3.050 -4.019 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.904 -1.990 -3.062 1.00 0.00 C +ATOM 309 C LEU A 18 -13.895 -0.990 -3.609 1.00 0.00 C +ATOM 310 O LEU A 18 -14.033 -0.823 -4.832 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.636 -1.230 -2.676 1.00 0.00 C +ATOM 312 CG LEU A 18 -11.061 -1.491 -1.292 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.696 -2.949 -1.100 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.862 -0.599 -1.064 1.00 0.00 C +ATOM 315 H LEU A 18 -11.675 -3.148 -4.337 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.306 -2.439 -2.167 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.873 -1.467 -3.402 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.853 -0.175 -2.752 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.804 -1.230 -0.555 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -9.932 -3.231 -1.812 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -11.577 -3.552 -1.263 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.336 -3.102 -0.096 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -10.188 0.431 -1.130 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -9.115 -0.797 -1.819 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.453 -0.782 -0.082 1.00 0.00 H +ATOM 326 N GLY A 19 -14.564 -0.315 -2.703 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.476 0.721 -3.078 1.00 0.00 C +ATOM 328 C GLY A 19 -14.720 1.914 -3.610 1.00 0.00 C +ATOM 329 O GLY A 19 -13.582 2.168 -3.175 1.00 0.00 O +ATOM 330 H GLY A 19 -14.419 -0.521 -1.758 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.139 0.345 -3.845 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.051 1.025 -2.218 1.00 0.00 H +ATOM 333 N SER A 20 -15.338 2.646 -4.519 1.00 0.00 N +ATOM 334 CA SER A 20 -14.698 3.764 -5.189 1.00 0.00 C +ATOM 335 C SER A 20 -14.209 4.812 -4.199 1.00 0.00 C +ATOM 336 O SER A 20 -13.066 5.193 -4.230 1.00 0.00 O +ATOM 337 CB SER A 20 -15.644 4.397 -6.214 1.00 0.00 C +ATOM 338 OG SER A 20 -14.987 5.395 -6.991 1.00 0.00 O +ATOM 339 H SER A 20 -16.265 2.414 -4.739 1.00 0.00 H +ATOM 340 HA SER A 20 -13.842 3.371 -5.717 1.00 0.00 H +ATOM 341 HB2 SER A 20 -16.019 3.635 -6.879 1.00 0.00 H +ATOM 342 HB3 SER A 20 -16.473 4.853 -5.691 1.00 0.00 H +ATOM 343 HG SER A 20 -14.675 6.127 -6.431 1.00 0.00 H +ATOM 344 N THR A 21 -15.045 5.208 -3.297 1.00 0.00 N +ATOM 345 CA THR A 21 -14.707 6.245 -2.360 1.00 0.00 C +ATOM 346 C THR A 21 -13.630 5.743 -1.394 1.00 0.00 C +ATOM 347 O THR A 21 -12.677 6.454 -1.100 1.00 0.00 O +ATOM 348 CB THR A 21 -15.962 6.695 -1.601 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.009 6.931 -2.562 1.00 0.00 O +ATOM 350 CG2 THR A 21 -15.707 7.991 -0.846 1.00 0.00 C +ATOM 351 H THR A 21 -15.919 4.777 -3.225 1.00 0.00 H +ATOM 352 HA THR A 21 -14.314 7.081 -2.919 1.00 0.00 H +ATOM 353 HB THR A 21 -16.259 5.924 -0.906 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.384 7.791 -2.335 1.00 0.00 H +ATOM 355 HG21 THR A 21 -16.604 8.287 -0.323 1.00 0.00 H +ATOM 356 HG22 THR A 21 -15.427 8.766 -1.545 1.00 0.00 H +ATOM 357 HG23 THR A 21 -14.908 7.842 -0.135 1.00 0.00 H +ATOM 358 N VAL A 22 -13.740 4.474 -1.002 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.785 3.859 -0.098 1.00 0.00 C +ATOM 360 C VAL A 22 -11.392 3.860 -0.720 1.00 0.00 C +ATOM 361 O VAL A 22 -10.412 4.273 -0.087 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.214 2.414 0.258 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -12.163 1.724 1.098 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.534 2.431 0.998 1.00 0.00 C +ATOM 365 H VAL A 22 -14.484 3.932 -1.342 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.761 4.449 0.808 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.350 1.859 -0.658 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -12.021 2.272 2.018 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -11.231 1.692 0.555 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -12.482 0.718 1.326 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.425 3.007 1.905 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -14.824 1.422 1.250 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -15.290 2.885 0.376 1.00 0.00 H +ATOM 374 N ARG A 23 -11.314 3.450 -1.972 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.052 3.456 -2.669 1.00 0.00 C +ATOM 376 C ARG A 23 -9.574 4.898 -2.895 1.00 0.00 C +ATOM 377 O ARG A 23 -8.389 5.170 -2.845 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.089 2.669 -3.990 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.070 3.196 -5.009 1.00 0.00 C +ATOM 380 CD ARG A 23 -10.738 2.737 -6.399 1.00 0.00 C +ATOM 381 NE ARG A 23 -11.555 3.423 -7.410 1.00 0.00 N +ATOM 382 CZ ARG A 23 -11.839 2.937 -8.622 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -11.417 1.728 -8.969 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -12.546 3.659 -9.474 1.00 0.00 N +ATOM 385 H ARG A 23 -12.133 3.132 -2.417 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.343 2.992 -2.001 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.103 2.680 -4.431 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.358 1.647 -3.761 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.027 2.770 -4.745 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.165 4.271 -4.964 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -9.696 2.961 -6.577 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -10.900 1.673 -6.469 1.00 0.00 H +ATOM 393 HE ARG A 23 -11.887 4.316 -7.160 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -10.890 1.155 -8.341 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -11.619 1.334 -9.872 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -12.878 4.577 -9.237 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -12.799 3.328 -10.387 1.00 0.00 H +ATOM 398 N GLU A 24 -10.507 5.814 -3.137 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.173 7.214 -3.340 1.00 0.00 C +ATOM 400 C GLU A 24 -9.545 7.851 -2.097 1.00 0.00 C +ATOM 401 O GLU A 24 -8.597 8.622 -2.228 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.360 8.016 -3.876 1.00 0.00 C +ATOM 403 CG GLU A 24 -11.748 7.610 -5.295 1.00 0.00 C +ATOM 404 CD GLU A 24 -12.939 8.358 -5.837 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -12.761 9.513 -6.301 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -14.072 7.825 -5.820 1.00 0.00 O +ATOM 407 H GLU A 24 -11.451 5.543 -3.189 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.399 7.209 -4.095 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.209 7.862 -3.225 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.102 9.065 -3.880 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -10.906 7.789 -5.947 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -11.973 6.553 -5.294 1.00 0.00 H +ATOM 413 N GLN A 25 -10.040 7.520 -0.896 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.387 8.002 0.338 1.00 0.00 C +ATOM 415 C GLN A 25 -7.986 7.434 0.451 1.00 0.00 C +ATOM 416 O GLN A 25 -7.046 8.145 0.814 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.162 7.692 1.630 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.282 8.664 2.003 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.477 8.612 1.096 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -13.396 7.844 1.330 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -12.508 9.457 0.105 1.00 0.00 N +ATOM 422 H GLN A 25 -10.854 6.966 -0.845 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.291 9.072 0.229 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.606 6.712 1.532 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.456 7.663 2.447 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.616 8.440 3.004 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -10.878 9.666 1.989 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -11.764 10.084 0.012 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -13.272 9.440 -0.506 1.00 0.00 H +ATOM 430 N LEU A 26 -7.845 6.162 0.114 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.550 5.501 0.132 1.00 0.00 C +ATOM 432 C LEU A 26 -5.603 6.160 -0.862 1.00 0.00 C +ATOM 433 O LEU A 26 -4.441 6.390 -0.560 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.693 4.009 -0.160 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.466 3.186 0.883 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.572 1.750 0.446 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.796 3.270 2.249 1.00 0.00 C +ATOM 438 H LEU A 26 -8.645 5.652 -0.141 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.137 5.630 1.122 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.197 3.914 -1.110 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.703 3.592 -0.260 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.474 3.563 0.973 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.096 1.692 -0.496 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.110 1.184 1.191 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -6.582 1.335 0.328 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -7.337 2.655 2.953 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -6.807 4.294 2.594 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -5.776 2.924 2.174 1.00 0.00 H +ATOM 449 N LYS A 27 -6.127 6.483 -2.037 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.381 7.199 -3.064 1.00 0.00 C +ATOM 451 C LYS A 27 -4.900 8.556 -2.536 1.00 0.00 C +ATOM 452 O LYS A 27 -3.764 8.970 -2.791 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.250 7.423 -4.292 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.527 8.143 -5.418 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.472 8.554 -6.524 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.416 9.661 -6.065 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.356 10.054 -7.127 1.00 0.00 N +ATOM 458 H LYS A 27 -7.045 6.180 -2.225 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.525 6.606 -3.343 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.591 6.466 -4.656 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.104 8.011 -3.993 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.082 9.031 -4.995 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -4.757 7.500 -5.815 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -5.895 8.905 -7.366 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.054 7.693 -6.819 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -7.978 9.333 -5.204 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.813 10.517 -5.794 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -8.910 9.247 -7.473 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -7.845 10.473 -7.930 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -9.018 10.776 -6.777 1.00 0.00 H +ATOM 471 N LYS A 28 -5.775 9.243 -1.813 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.429 10.519 -1.193 1.00 0.00 C +ATOM 473 C LYS A 28 -4.270 10.350 -0.232 1.00 0.00 C +ATOM 474 O LYS A 28 -3.395 11.213 -0.137 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.633 11.152 -0.500 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.723 11.550 -1.467 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.914 12.162 -0.765 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.947 12.589 -1.782 1.00 0.00 C +ATOM 479 NZ LYS A 28 -11.126 13.241 -1.174 1.00 0.00 N +ATOM 480 H LYS A 28 -6.680 8.875 -1.714 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.110 11.167 -1.997 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -7.046 10.447 0.208 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.309 12.036 0.029 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.323 12.273 -2.162 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -8.045 10.673 -2.009 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.348 11.432 -0.097 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.586 13.025 -0.206 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -9.475 13.270 -2.475 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.256 11.699 -2.309 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -10.858 14.062 -0.594 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -11.683 12.591 -0.585 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -11.756 13.587 -1.926 1.00 0.00 H +ATOM 493 N LYS A 29 -4.254 9.232 0.458 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.137 8.905 1.321 1.00 0.00 C +ATOM 495 C LYS A 29 -1.881 8.600 0.542 1.00 0.00 C +ATOM 496 O LYS A 29 -0.800 8.981 0.950 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.439 7.793 2.311 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.046 8.267 3.618 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.393 8.911 3.446 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.863 9.478 4.754 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.984 10.586 5.219 1.00 0.00 N +ATOM 502 H LYS A 29 -5.031 8.637 0.379 1.00 0.00 H +ATOM 503 HA LYS A 29 -2.936 9.801 1.884 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.111 7.081 1.858 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.505 7.304 2.542 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.161 7.419 4.276 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.372 8.977 4.074 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -5.316 9.706 2.720 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.101 8.171 3.103 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.883 9.818 4.657 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.804 8.665 5.465 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -4.830 11.293 4.468 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -4.057 10.244 5.538 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -5.430 11.072 6.024 1.00 0.00 H +ATOM 515 N LEU A 30 -2.028 7.935 -0.578 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.898 7.605 -1.434 1.00 0.00 C +ATOM 517 C LEU A 30 -0.232 8.872 -1.953 1.00 0.00 C +ATOM 518 O LEU A 30 0.989 9.034 -1.856 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.357 6.749 -2.624 1.00 0.00 C +ATOM 520 CG LEU A 30 -2.041 5.427 -2.282 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.475 4.700 -3.540 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.124 4.556 -1.449 1.00 0.00 C +ATOM 523 H LEU A 30 -2.926 7.629 -0.830 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.186 7.039 -0.853 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.047 7.337 -3.211 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.493 6.532 -3.233 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.927 5.634 -1.700 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -3.155 5.321 -4.103 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -2.971 3.778 -3.272 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -1.607 4.483 -4.144 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -1.612 3.617 -1.237 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -0.922 5.072 -0.521 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.198 4.381 -1.975 1.00 0.00 H +ATOM 534 N VAL A 31 -1.045 9.790 -2.446 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.538 11.012 -3.023 1.00 0.00 C +ATOM 536 C VAL A 31 0.161 11.889 -1.958 1.00 0.00 C +ATOM 537 O VAL A 31 1.228 12.450 -2.227 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.644 11.792 -3.833 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -2.731 12.372 -2.955 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -1.051 12.855 -4.739 1.00 0.00 C +ATOM 541 H VAL A 31 -2.014 9.614 -2.422 1.00 0.00 H +ATOM 542 HA VAL A 31 0.236 10.703 -3.713 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.128 11.058 -4.463 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -3.188 11.577 -2.387 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -3.476 12.854 -3.571 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -2.300 13.095 -2.279 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -1.863 13.329 -5.272 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -0.377 12.393 -5.446 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -0.528 13.589 -4.146 1.00 0.00 H +ATOM 550 N GLU A 32 -0.420 11.978 -0.750 1.00 0.00 N +ATOM 551 CA GLU A 32 0.196 12.744 0.339 1.00 0.00 C +ATOM 552 C GLU A 32 1.476 12.063 0.862 1.00 0.00 C +ATOM 553 O GLU A 32 2.506 12.710 1.032 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.797 13.036 1.505 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.320 11.799 2.216 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.277 12.080 3.359 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -1.823 12.353 4.471 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -3.515 11.996 3.173 1.00 0.00 O +ATOM 559 H GLU A 32 -1.278 11.524 -0.597 1.00 0.00 H +ATOM 560 HA GLU A 32 0.495 13.684 -0.103 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.304 13.659 2.236 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.640 13.579 1.105 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -1.826 11.216 1.464 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.475 11.236 2.587 1.00 0.00 H +ATOM 565 N VAL A 33 1.414 10.744 1.046 1.00 0.00 N +ATOM 566 CA VAL A 33 2.489 9.975 1.665 1.00 0.00 C +ATOM 567 C VAL A 33 3.786 10.027 0.858 1.00 0.00 C +ATOM 568 O VAL A 33 4.850 9.965 1.420 1.00 0.00 O +ATOM 569 CB VAL A 33 2.090 8.505 2.018 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.104 7.571 0.811 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.939 7.972 3.155 1.00 0.00 C +ATOM 572 H VAL A 33 0.606 10.254 0.771 1.00 0.00 H +ATOM 573 HA VAL A 33 2.699 10.495 2.589 1.00 0.00 H +ATOM 574 HB VAL A 33 1.067 8.541 2.362 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.790 6.582 1.108 1.00 0.00 H +ATOM 576 HG12 VAL A 33 3.107 7.524 0.412 1.00 0.00 H +ATOM 577 HG13 VAL A 33 1.436 7.956 0.056 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.780 8.570 4.040 1.00 0.00 H +ATOM 579 HG22 VAL A 33 3.976 8.035 2.862 1.00 0.00 H +ATOM 580 HG23 VAL A 33 2.680 6.943 3.354 1.00 0.00 H +ATOM 581 N LEU A 34 3.670 10.174 -0.460 1.00 0.00 N +ATOM 582 CA LEU A 34 4.823 10.203 -1.376 1.00 0.00 C +ATOM 583 C LEU A 34 5.903 11.238 -0.981 1.00 0.00 C +ATOM 584 O LEU A 34 7.062 11.071 -1.360 1.00 0.00 O +ATOM 585 CB LEU A 34 4.361 10.488 -2.815 1.00 0.00 C +ATOM 586 CG LEU A 34 3.494 9.421 -3.486 1.00 0.00 C +ATOM 587 CD1 LEU A 34 3.026 9.898 -4.846 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.259 8.117 -3.629 1.00 0.00 C +ATOM 589 H LEU A 34 2.763 10.218 -0.834 1.00 0.00 H +ATOM 590 HA LEU A 34 5.273 9.224 -1.359 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.801 11.411 -2.806 1.00 0.00 H +ATOM 592 HB3 LEU A 34 5.240 10.637 -3.426 1.00 0.00 H +ATOM 593 HG LEU A 34 2.620 9.238 -2.878 1.00 0.00 H +ATOM 594 HD11 LEU A 34 3.887 10.098 -5.468 1.00 0.00 H +ATOM 595 HD12 LEU A 34 2.447 10.803 -4.734 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.420 9.133 -5.308 1.00 0.00 H +ATOM 597 HD21 LEU A 34 3.639 7.389 -4.130 1.00 0.00 H +ATOM 598 HD22 LEU A 34 4.532 7.743 -2.653 1.00 0.00 H +ATOM 599 HD23 LEU A 34 5.148 8.292 -4.217 1.00 0.00 H +ATOM 600 N GLU A 35 5.524 12.303 -0.254 1.00 0.00 N +ATOM 601 CA GLU A 35 6.500 13.314 0.174 1.00 0.00 C +ATOM 602 C GLU A 35 7.469 12.734 1.227 1.00 0.00 C +ATOM 603 O GLU A 35 8.610 13.178 1.342 1.00 0.00 O +ATOM 604 CB GLU A 35 5.806 14.592 0.707 1.00 0.00 C +ATOM 605 CG GLU A 35 4.986 14.399 1.978 1.00 0.00 C +ATOM 606 CD GLU A 35 4.232 15.645 2.391 1.00 0.00 C +ATOM 607 OE1 GLU A 35 4.834 16.566 2.972 1.00 0.00 O +ATOM 608 OE2 GLU A 35 3.009 15.720 2.149 1.00 0.00 O +ATOM 609 H GLU A 35 4.584 12.409 0.013 1.00 0.00 H +ATOM 610 HA GLU A 35 7.084 13.567 -0.698 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.566 15.331 0.917 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.155 14.980 -0.062 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.270 13.609 1.811 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.650 14.114 2.781 1.00 0.00 H +ATOM 615 N SER A 36 7.006 11.732 1.967 1.00 0.00 N +ATOM 616 CA SER A 36 7.796 11.066 2.980 1.00 0.00 C +ATOM 617 C SER A 36 7.153 9.724 3.328 1.00 0.00 C +ATOM 618 O SER A 36 6.399 9.625 4.272 1.00 0.00 O +ATOM 619 CB SER A 36 7.965 11.948 4.243 1.00 0.00 C +ATOM 620 OG SER A 36 8.823 11.337 5.217 1.00 0.00 O +ATOM 621 H SER A 36 6.099 11.388 1.815 1.00 0.00 H +ATOM 622 HA SER A 36 8.765 10.843 2.570 1.00 0.00 H +ATOM 623 HB2 SER A 36 8.392 12.899 3.956 1.00 0.00 H +ATOM 624 HB3 SER A 36 6.994 12.114 4.689 1.00 0.00 H +ATOM 625 HG SER A 36 9.516 11.982 5.401 1.00 0.00 H +ATOM 626 N PRO A 37 7.368 8.680 2.508 1.00 0.00 N +ATOM 627 CA PRO A 37 6.805 7.354 2.771 1.00 0.00 C +ATOM 628 C PRO A 37 7.644 6.543 3.761 1.00 0.00 C +ATOM 629 O PRO A 37 7.352 5.393 4.038 1.00 0.00 O +ATOM 630 CB PRO A 37 6.803 6.704 1.392 1.00 0.00 C +ATOM 631 CG PRO A 37 7.974 7.309 0.702 1.00 0.00 C +ATOM 632 CD PRO A 37 8.078 8.726 1.211 1.00 0.00 C +ATOM 633 HA PRO A 37 5.796 7.417 3.148 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.902 5.634 1.497 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.881 6.938 0.880 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.870 6.756 0.947 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.815 7.305 -0.366 1.00 0.00 H +ATOM 638 HD2 PRO A 37 9.108 9.024 1.337 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.559 9.390 0.532 1.00 0.00 H +ATOM 640 N ARG A 38 8.659 7.165 4.319 1.00 0.00 N +ATOM 641 CA ARG A 38 9.546 6.514 5.273 1.00 0.00 C +ATOM 642 C ARG A 38 9.046 6.684 6.720 1.00 0.00 C +ATOM 643 O ARG A 38 9.830 6.713 7.669 1.00 0.00 O +ATOM 644 CB ARG A 38 11.011 7.004 5.066 1.00 0.00 C +ATOM 645 CG ARG A 38 11.238 8.533 4.987 1.00 0.00 C +ATOM 646 CD ARG A 38 11.048 9.263 6.317 1.00 0.00 C +ATOM 647 NE ARG A 38 11.967 8.789 7.371 1.00 0.00 N +ATOM 648 CZ ARG A 38 12.036 9.293 8.618 1.00 0.00 C +ATOM 649 NH1 ARG A 38 11.317 10.362 8.950 1.00 0.00 N +ATOM 650 NH2 ARG A 38 12.840 8.737 9.518 1.00 0.00 N +ATOM 651 H ARG A 38 8.803 8.103 4.073 1.00 0.00 H +ATOM 652 HA ARG A 38 9.505 5.458 5.049 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.608 6.633 5.885 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.384 6.560 4.155 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.238 8.718 4.631 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.542 8.935 4.265 1.00 0.00 H +ATOM 657 HD2 ARG A 38 11.220 10.316 6.158 1.00 0.00 H +ATOM 658 HD3 ARG A 38 10.031 9.108 6.646 1.00 0.00 H +ATOM 659 HE ARG A 38 12.532 8.024 7.119 1.00 0.00 H +ATOM 660 HH11 ARG A 38 10.712 10.827 8.298 1.00 0.00 H +ATOM 661 HH12 ARG A 38 11.340 10.745 9.878 1.00 0.00 H +ATOM 662 HH21 ARG A 38 13.419 7.939 9.324 1.00 0.00 H +ATOM 663 HH22 ARG A 38 12.902 9.093 10.456 1.00 0.00 H +ATOM 664 N ILE A 39 7.734 6.658 6.875 1.00 0.00 N +ATOM 665 CA ILE A 39 7.100 6.913 8.153 1.00 0.00 C +ATOM 666 C ILE A 39 7.110 5.658 9.015 1.00 0.00 C +ATOM 667 O ILE A 39 6.336 4.718 8.803 1.00 0.00 O +ATOM 668 CB ILE A 39 5.651 7.454 7.971 1.00 0.00 C +ATOM 669 CG1 ILE A 39 5.712 8.739 7.141 1.00 0.00 C +ATOM 670 CG2 ILE A 39 4.994 7.723 9.332 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.376 9.313 6.726 1.00 0.00 C +ATOM 672 H ILE A 39 7.187 6.429 6.093 1.00 0.00 H +ATOM 673 HA ILE A 39 7.692 7.670 8.642 1.00 0.00 H +ATOM 674 HB ILE A 39 5.067 6.720 7.436 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.206 9.498 7.726 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.287 8.549 6.246 1.00 0.00 H +ATOM 677 HG21 ILE A 39 4.954 6.806 9.900 1.00 0.00 H +ATOM 678 HG22 ILE A 39 3.992 8.096 9.179 1.00 0.00 H +ATOM 679 HG23 ILE A 39 5.573 8.458 9.870 1.00 0.00 H +ATOM 680 HD11 ILE A 39 4.580 10.167 6.094 1.00 0.00 H +ATOM 681 HD12 ILE A 39 3.814 9.617 7.596 1.00 0.00 H +ATOM 682 HD13 ILE A 39 3.825 8.577 6.161 1.00 0.00 H +ATOM 683 N GLU A 40 7.991 5.682 9.999 1.00 0.00 N +ATOM 684 CA GLU A 40 8.275 4.559 10.894 1.00 0.00 C +ATOM 685 C GLU A 40 7.031 4.008 11.615 1.00 0.00 C +ATOM 686 O GLU A 40 6.941 2.804 11.866 1.00 0.00 O +ATOM 687 CB GLU A 40 9.337 4.975 11.910 1.00 0.00 C +ATOM 688 CG GLU A 40 8.955 6.202 12.727 1.00 0.00 C +ATOM 689 CD GLU A 40 9.974 6.542 13.765 1.00 0.00 C +ATOM 690 OE1 GLU A 40 10.098 5.790 14.748 1.00 0.00 O +ATOM 691 OE2 GLU A 40 10.693 7.566 13.611 1.00 0.00 O +ATOM 692 H GLU A 40 8.495 6.516 10.119 1.00 0.00 H +ATOM 693 HA GLU A 40 8.693 3.767 10.291 1.00 0.00 H +ATOM 694 HB2 GLU A 40 9.509 4.154 12.590 1.00 0.00 H +ATOM 695 HB3 GLU A 40 10.254 5.194 11.383 1.00 0.00 H +ATOM 696 HG2 GLU A 40 8.850 7.043 12.060 1.00 0.00 H +ATOM 697 HG3 GLU A 40 8.009 6.011 13.212 1.00 0.00 H +ATOM 698 N ALA A 41 6.072 4.876 11.908 1.00 0.00 N +ATOM 699 CA ALA A 41 4.855 4.478 12.611 1.00 0.00 C +ATOM 700 C ALA A 41 4.005 3.549 11.747 1.00 0.00 C +ATOM 701 O ALA A 41 3.357 2.626 12.243 1.00 0.00 O +ATOM 702 CB ALA A 41 4.057 5.708 13.019 1.00 0.00 C +ATOM 703 H ALA A 41 6.202 5.810 11.647 1.00 0.00 H +ATOM 704 HA ALA A 41 5.151 3.947 13.504 1.00 0.00 H +ATOM 705 HB1 ALA A 41 4.675 6.350 13.629 1.00 0.00 H +ATOM 706 HB2 ALA A 41 3.187 5.403 13.583 1.00 0.00 H +ATOM 707 HB3 ALA A 41 3.744 6.243 12.134 1.00 0.00 H +ATOM 708 N ASN A 42 4.067 3.755 10.452 1.00 0.00 N +ATOM 709 CA ASN A 42 3.277 2.971 9.523 1.00 0.00 C +ATOM 710 C ASN A 42 4.066 1.796 8.999 1.00 0.00 C +ATOM 711 O ASN A 42 3.546 0.987 8.240 1.00 0.00 O +ATOM 712 CB ASN A 42 2.782 3.825 8.343 1.00 0.00 C +ATOM 713 CG ASN A 42 1.747 4.869 8.730 1.00 0.00 C +ATOM 714 OD1 ASN A 42 0.987 4.698 9.686 1.00 0.00 O +ATOM 715 ND2 ASN A 42 1.695 5.945 7.983 1.00 0.00 N +ATOM 716 H ASN A 42 4.679 4.432 10.095 1.00 0.00 H +ATOM 717 HA ASN A 42 2.417 2.598 10.058 1.00 0.00 H +ATOM 718 HB2 ASN A 42 3.625 4.337 7.905 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.348 3.171 7.601 1.00 0.00 H +ATOM 720 HD21 ASN A 42 2.312 6.023 7.228 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.020 6.627 8.197 1.00 0.00 H +ATOM 722 N LYS A 43 5.313 1.692 9.403 1.00 0.00 N +ATOM 723 CA LYS A 43 6.167 0.682 8.944 1.00 0.00 C +ATOM 724 C LYS A 43 5.865 -0.616 9.652 1.00 0.00 C +ATOM 725 O LYS A 43 5.605 -0.636 10.862 1.00 0.00 O +ATOM 726 CB LYS A 43 7.589 1.125 9.170 1.00 0.00 C +ATOM 727 CG LYS A 43 8.579 0.278 8.483 1.00 0.00 C +ATOM 728 CD LYS A 43 9.912 0.986 8.373 1.00 0.00 C +ATOM 729 CE LYS A 43 10.837 0.263 7.421 1.00 0.00 C +ATOM 730 NZ LYS A 43 11.936 1.138 6.971 1.00 0.00 N +ATOM 731 H LYS A 43 5.729 2.300 10.046 1.00 0.00 H +ATOM 732 HA LYS A 43 6.013 0.559 7.882 1.00 0.00 H +ATOM 733 HB2 LYS A 43 7.695 2.140 8.816 1.00 0.00 H +ATOM 734 HB3 LYS A 43 7.787 1.095 10.230 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.650 -0.627 9.062 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.156 0.095 7.508 1.00 0.00 H +ATOM 737 HD2 LYS A 43 9.751 1.987 8.002 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.372 1.029 9.349 1.00 0.00 H +ATOM 739 HE2 LYS A 43 11.250 -0.595 7.929 1.00 0.00 H +ATOM 740 HE3 LYS A 43 10.262 -0.058 6.567 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 11.534 2.026 6.608 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 12.432 0.722 6.156 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.621 1.358 7.721 1.00 0.00 H +ATOM 744 N LEU A 44 5.872 -1.674 8.903 1.00 0.00 N +ATOM 745 CA LEU A 44 5.559 -2.981 9.417 1.00 0.00 C +ATOM 746 C LEU A 44 6.789 -3.626 10.023 1.00 0.00 C +ATOM 747 O LEU A 44 7.921 -3.284 9.661 1.00 0.00 O +ATOM 748 CB LEU A 44 4.977 -3.861 8.314 1.00 0.00 C +ATOM 749 CG LEU A 44 3.703 -3.339 7.654 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.200 -4.307 6.622 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.629 -3.079 8.677 1.00 0.00 C +ATOM 752 H LEU A 44 6.120 -1.563 7.958 1.00 0.00 H +ATOM 753 HA LEU A 44 4.814 -2.860 10.188 1.00 0.00 H +ATOM 754 HB2 LEU A 44 5.727 -3.969 7.546 1.00 0.00 H +ATOM 755 HB3 LEU A 44 4.766 -4.834 8.734 1.00 0.00 H +ATOM 756 HG LEU A 44 3.922 -2.408 7.153 1.00 0.00 H +ATOM 757 HD11 LEU A 44 3.022 -5.265 7.088 1.00 0.00 H +ATOM 758 HD12 LEU A 44 3.917 -4.404 5.822 1.00 0.00 H +ATOM 759 HD13 LEU A 44 2.264 -3.925 6.240 1.00 0.00 H +ATOM 760 HD21 LEU A 44 2.425 -3.985 9.228 1.00 0.00 H +ATOM 761 HD22 LEU A 44 1.742 -2.769 8.146 1.00 0.00 H +ATOM 762 HD23 LEU A 44 2.948 -2.294 9.348 1.00 0.00 H +ATOM 763 N ARG A 45 6.566 -4.541 10.931 1.00 0.00 N +ATOM 764 CA ARG A 45 7.634 -5.210 11.630 1.00 0.00 C +ATOM 765 C ARG A 45 8.083 -6.416 10.824 1.00 0.00 C +ATOM 766 O ARG A 45 7.275 -7.272 10.482 1.00 0.00 O +ATOM 767 CB ARG A 45 7.132 -5.618 13.044 1.00 0.00 C +ATOM 768 CG ARG A 45 8.188 -6.146 14.048 1.00 0.00 C +ATOM 769 CD ARG A 45 8.710 -7.536 13.706 1.00 0.00 C +ATOM 770 NE ARG A 45 7.623 -8.521 13.662 1.00 0.00 N +ATOM 771 CZ ARG A 45 7.582 -9.600 12.871 1.00 0.00 C +ATOM 772 NH1 ARG A 45 8.586 -9.865 12.036 1.00 0.00 N +ATOM 773 NH2 ARG A 45 6.535 -10.413 12.923 1.00 0.00 N +ATOM 774 H ARG A 45 5.643 -4.798 11.143 1.00 0.00 H +ATOM 775 HA ARG A 45 8.463 -4.527 11.737 1.00 0.00 H +ATOM 776 HB2 ARG A 45 6.654 -4.759 13.491 1.00 0.00 H +ATOM 777 HB3 ARG A 45 6.381 -6.384 12.919 1.00 0.00 H +ATOM 778 HG2 ARG A 45 9.026 -5.467 14.065 1.00 0.00 H +ATOM 779 HG3 ARG A 45 7.738 -6.172 15.029 1.00 0.00 H +ATOM 780 HD2 ARG A 45 9.188 -7.499 12.738 1.00 0.00 H +ATOM 781 HD3 ARG A 45 9.428 -7.836 14.455 1.00 0.00 H +ATOM 782 HE ARG A 45 6.876 -8.340 14.281 1.00 0.00 H +ATOM 783 HH11 ARG A 45 9.399 -9.279 11.981 1.00 0.00 H +ATOM 784 HH12 ARG A 45 8.560 -10.649 11.407 1.00 0.00 H +ATOM 785 HH21 ARG A 45 5.768 -10.231 13.545 1.00 0.00 H +ATOM 786 HH22 ARG A 45 6.468 -11.240 12.355 1.00 0.00 H +ATOM 787 N GLY A 46 9.356 -6.446 10.487 1.00 0.00 N +ATOM 788 CA GLY A 46 9.943 -7.595 9.827 1.00 0.00 C +ATOM 789 C GLY A 46 9.612 -7.682 8.366 1.00 0.00 C +ATOM 790 O GLY A 46 9.841 -8.718 7.731 1.00 0.00 O +ATOM 791 H GLY A 46 9.916 -5.658 10.664 1.00 0.00 H +ATOM 792 HA2 GLY A 46 11.017 -7.547 9.931 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.586 -8.488 10.317 1.00 0.00 H +ATOM 794 N MET A 47 9.097 -6.623 7.831 1.00 0.00 N +ATOM 795 CA MET A 47 8.730 -6.570 6.445 1.00 0.00 C +ATOM 796 C MET A 47 9.674 -5.625 5.747 1.00 0.00 C +ATOM 797 O MET A 47 9.917 -4.522 6.253 1.00 0.00 O +ATOM 798 CB MET A 47 7.283 -6.098 6.294 1.00 0.00 C +ATOM 799 CG MET A 47 6.244 -7.049 6.886 1.00 0.00 C +ATOM 800 SD MET A 47 6.106 -8.615 5.993 1.00 0.00 S +ATOM 801 CE MET A 47 5.442 -8.057 4.421 1.00 0.00 C +ATOM 802 H MET A 47 8.984 -5.825 8.390 1.00 0.00 H +ATOM 803 HA MET A 47 8.832 -7.563 6.034 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.192 -5.141 6.784 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.074 -5.968 5.242 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.520 -7.265 7.908 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.282 -6.559 6.878 1.00 0.00 H +ATOM 808 HE1 MET A 47 6.138 -7.383 3.944 1.00 0.00 H +ATOM 809 HE2 MET A 47 4.505 -7.548 4.592 1.00 0.00 H +ATOM 810 HE3 MET A 47 5.269 -8.910 3.781 1.00 0.00 H +ATOM 811 N PRO A 48 10.249 -6.037 4.602 1.00 0.00 N +ATOM 812 CA PRO A 48 11.223 -5.227 3.867 1.00 0.00 C +ATOM 813 C PRO A 48 10.622 -3.918 3.354 1.00 0.00 C +ATOM 814 O PRO A 48 9.923 -3.894 2.323 1.00 0.00 O +ATOM 815 CB PRO A 48 11.672 -6.130 2.711 1.00 0.00 C +ATOM 816 CG PRO A 48 10.585 -7.138 2.562 1.00 0.00 C +ATOM 817 CD PRO A 48 9.995 -7.329 3.931 1.00 0.00 C +ATOM 818 HA PRO A 48 12.065 -4.993 4.501 1.00 0.00 H +ATOM 819 HB2 PRO A 48 11.787 -5.536 1.816 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.613 -6.601 2.957 1.00 0.00 H +ATOM 821 HG2 PRO A 48 9.835 -6.763 1.881 1.00 0.00 H +ATOM 822 HG3 PRO A 48 10.994 -8.068 2.196 1.00 0.00 H +ATOM 823 HD2 PRO A 48 8.935 -7.521 3.856 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.490 -8.138 4.448 1.00 0.00 H +ATOM 825 N ASP A 49 10.819 -2.862 4.155 1.00 0.00 N +ATOM 826 CA ASP A 49 10.338 -1.506 3.876 1.00 0.00 C +ATOM 827 C ASP A 49 8.891 -1.450 3.465 1.00 0.00 C +ATOM 828 O ASP A 49 8.521 -0.770 2.505 1.00 0.00 O +ATOM 829 CB ASP A 49 11.257 -0.708 2.937 1.00 0.00 C +ATOM 830 CG ASP A 49 12.341 0.014 3.704 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.081 1.115 4.211 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.465 -0.511 3.862 1.00 0.00 O +ATOM 833 H ASP A 49 11.304 -3.024 4.992 1.00 0.00 H +ATOM 834 HA ASP A 49 10.362 -1.021 4.841 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.723 -1.384 2.235 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.671 0.022 2.399 1.00 0.00 H +ATOM 837 N CYS A 50 8.063 -2.160 4.198 1.00 0.00 N +ATOM 838 CA CYS A 50 6.670 -2.158 3.922 1.00 0.00 C +ATOM 839 C CYS A 50 5.976 -1.268 4.925 1.00 0.00 C +ATOM 840 O CYS A 50 6.338 -1.245 6.118 1.00 0.00 O +ATOM 841 CB CYS A 50 6.120 -3.579 3.967 1.00 0.00 C +ATOM 842 SG CYS A 50 6.979 -4.727 2.858 1.00 0.00 S +ATOM 843 H CYS A 50 8.395 -2.684 4.957 1.00 0.00 H +ATOM 844 HA CYS A 50 6.519 -1.750 2.936 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.211 -3.960 4.974 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.079 -3.567 3.685 1.00 0.00 H +ATOM 847 HG CYS A 50 8.149 -4.176 2.547 1.00 0.00 H +ATOM 848 N TYR A 51 5.007 -0.549 4.457 1.00 0.00 N +ATOM 849 CA TYR A 51 4.285 0.402 5.245 1.00 0.00 C +ATOM 850 C TYR A 51 2.810 0.204 4.989 1.00 0.00 C +ATOM 851 O TYR A 51 2.416 -0.255 3.906 1.00 0.00 O +ATOM 852 CB TYR A 51 4.693 1.848 4.866 1.00 0.00 C +ATOM 853 CG TYR A 51 6.166 2.194 5.078 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.141 1.782 4.178 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.573 2.925 6.175 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.475 2.087 4.371 1.00 0.00 C +ATOM 857 CE2 TYR A 51 7.906 3.233 6.375 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.850 2.812 5.470 1.00 0.00 C +ATOM 859 OH TYR A 51 10.188 3.111 5.679 1.00 0.00 O +ATOM 860 H TYR A 51 4.740 -0.661 3.515 1.00 0.00 H +ATOM 861 HA TYR A 51 4.503 0.231 6.288 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.477 2.006 3.821 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.099 2.539 5.447 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.843 1.209 3.312 1.00 0.00 H +ATOM 865 HD2 TYR A 51 5.835 3.256 6.891 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.213 1.753 3.657 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.201 3.808 7.241 1.00 0.00 H +ATOM 868 HH TYR A 51 10.549 3.386 4.827 1.00 0.00 H +ATOM 869 N LYS A 52 2.013 0.514 5.963 1.00 0.00 N +ATOM 870 CA LYS A 52 0.586 0.374 5.856 1.00 0.00 C +ATOM 871 C LYS A 52 -0.096 1.720 6.023 1.00 0.00 C +ATOM 872 O LYS A 52 0.364 2.575 6.771 1.00 0.00 O +ATOM 873 CB LYS A 52 0.043 -0.605 6.908 1.00 0.00 C +ATOM 874 CG LYS A 52 0.380 -0.195 8.333 1.00 0.00 C +ATOM 875 CD LYS A 52 -0.327 -1.040 9.366 1.00 0.00 C +ATOM 876 CE LYS A 52 0.088 -0.595 10.749 1.00 0.00 C +ATOM 877 NZ LYS A 52 -0.686 -1.240 11.823 1.00 0.00 N +ATOM 878 H LYS A 52 2.399 0.863 6.798 1.00 0.00 H +ATOM 879 HA LYS A 52 0.359 -0.015 4.876 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -1.031 -0.656 6.815 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.459 -1.585 6.728 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.446 -0.289 8.480 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.097 0.839 8.467 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -1.394 -0.916 9.254 1.00 0.00 H +ATOM 885 HD3 LYS A 52 -0.060 -2.077 9.233 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.133 -0.837 10.877 1.00 0.00 H +ATOM 887 HE3 LYS A 52 -0.032 0.475 10.797 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 -0.527 -2.268 11.854 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 -1.701 -1.063 11.682 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 -0.415 -0.833 12.740 1.00 0.00 H +ATOM 891 N ILE A 53 -1.153 1.902 5.311 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.975 3.068 5.435 1.00 0.00 C +ATOM 893 C ILE A 53 -3.279 2.679 6.077 1.00 0.00 C +ATOM 894 O ILE A 53 -3.877 1.668 5.712 1.00 0.00 O +ATOM 895 CB ILE A 53 -2.271 3.724 4.057 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.990 4.280 3.440 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -3.341 4.826 4.178 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -1.185 4.839 2.052 1.00 0.00 C +ATOM 899 H ILE A 53 -1.389 1.210 4.653 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.463 3.784 6.059 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.666 2.956 3.409 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.610 5.076 4.064 1.00 0.00 H +ATOM 903 HG13 ILE A 53 -0.258 3.488 3.385 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -4.259 4.408 4.564 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -3.536 5.261 3.209 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.004 5.606 4.845 1.00 0.00 H +ATOM 907 HD11 ILE A 53 -0.299 5.365 1.728 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -2.038 5.499 2.038 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -1.374 4.021 1.374 1.00 0.00 H +ATOM 910 N LYS A 54 -3.672 3.444 7.043 1.00 0.00 N +ATOM 911 CA LYS A 54 -4.949 3.309 7.664 1.00 0.00 C +ATOM 912 C LYS A 54 -5.878 4.403 7.147 1.00 0.00 C +ATOM 913 O LYS A 54 -5.459 5.545 6.950 1.00 0.00 O +ATOM 914 CB LYS A 54 -4.837 3.274 9.217 1.00 0.00 C +ATOM 915 CG LYS A 54 -3.719 4.139 9.820 1.00 0.00 C +ATOM 916 CD LYS A 54 -3.911 5.626 9.586 1.00 0.00 C +ATOM 917 CE LYS A 54 -2.663 6.401 9.949 1.00 0.00 C +ATOM 918 NZ LYS A 54 -2.306 6.267 11.375 1.00 0.00 N +ATOM 919 H LYS A 54 -3.075 4.153 7.355 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.336 2.364 7.317 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.775 3.606 9.637 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.673 2.250 9.520 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -3.687 3.968 10.884 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -2.780 3.832 9.382 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -4.135 5.789 8.541 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -4.736 5.974 10.190 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -1.865 5.992 9.346 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -2.817 7.440 9.700 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -2.105 5.281 11.643 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -3.072 6.606 11.989 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -1.469 6.837 11.610 1.00 0.00 H +ATOM 932 N LEU A 55 -7.101 4.044 6.869 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.073 4.991 6.349 1.00 0.00 C +ATOM 934 C LEU A 55 -8.782 5.655 7.543 1.00 0.00 C +ATOM 935 O LEU A 55 -9.496 6.639 7.398 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.055 4.236 5.406 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.799 5.047 4.308 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -10.425 4.103 3.307 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -10.888 5.940 4.878 1.00 0.00 C +ATOM 940 H LEU A 55 -7.363 3.106 6.998 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.537 5.747 5.792 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.494 3.456 4.910 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.797 3.757 6.027 1.00 0.00 H +ATOM 944 HG LEU A 55 -9.085 5.662 3.779 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -10.935 4.673 2.546 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -11.131 3.459 3.807 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -9.656 3.502 2.845 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.371 6.478 4.076 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -10.450 6.641 5.573 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -11.617 5.332 5.394 1.00 0.00 H +ATOM 951 N ARG A 56 -8.559 5.077 8.728 1.00 0.00 N +ATOM 952 CA ARG A 56 -9.080 5.550 10.022 1.00 0.00 C +ATOM 953 C ARG A 56 -10.572 5.247 10.164 1.00 0.00 C +ATOM 954 O ARG A 56 -10.981 4.490 11.032 1.00 0.00 O +ATOM 955 CB ARG A 56 -8.827 7.062 10.225 1.00 0.00 C +ATOM 956 CG ARG A 56 -9.207 7.596 11.600 1.00 0.00 C +ATOM 957 CD ARG A 56 -9.331 9.112 11.582 1.00 0.00 C +ATOM 958 NE ARG A 56 -8.140 9.787 11.046 1.00 0.00 N +ATOM 959 CZ ARG A 56 -8.167 10.965 10.387 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -9.307 11.643 10.271 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -7.053 11.464 9.867 1.00 0.00 N +ATOM 962 H ARG A 56 -8.022 4.257 8.725 1.00 0.00 H +ATOM 963 HA ARG A 56 -8.556 5.003 10.791 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -7.779 7.262 10.065 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -9.396 7.605 9.483 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -10.155 7.168 11.890 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -8.446 7.310 12.310 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -10.174 9.376 10.963 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -9.504 9.457 12.589 1.00 0.00 H +ATOM 970 HE ARG A 56 -7.293 9.305 11.187 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -10.168 11.311 10.667 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -9.374 12.515 9.777 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -6.170 10.992 9.940 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -7.039 12.339 9.373 1.00 0.00 H +ATOM 975 N SER A 57 -11.358 5.822 9.295 1.00 0.00 N +ATOM 976 CA SER A 57 -12.790 5.712 9.363 1.00 0.00 C +ATOM 977 C SER A 57 -13.301 4.335 8.889 1.00 0.00 C +ATOM 978 O SER A 57 -13.908 3.590 9.655 1.00 0.00 O +ATOM 979 CB SER A 57 -13.404 6.844 8.536 1.00 0.00 C +ATOM 980 OG SER A 57 -12.856 8.107 8.944 1.00 0.00 O +ATOM 981 H SER A 57 -10.946 6.359 8.580 1.00 0.00 H +ATOM 982 HA SER A 57 -13.084 5.855 10.391 1.00 0.00 H +ATOM 983 HB2 SER A 57 -13.182 6.682 7.492 1.00 0.00 H +ATOM 984 HB3 SER A 57 -14.473 6.863 8.684 1.00 0.00 H +ATOM 985 HG SER A 57 -12.968 8.156 9.903 1.00 0.00 H +ATOM 986 N SER A 58 -13.010 3.998 7.656 1.00 0.00 N +ATOM 987 CA SER A 58 -13.535 2.802 7.025 1.00 0.00 C +ATOM 988 C SER A 58 -12.981 1.488 7.615 1.00 0.00 C +ATOM 989 O SER A 58 -13.643 0.459 7.551 1.00 0.00 O +ATOM 990 CB SER A 58 -13.232 2.886 5.553 1.00 0.00 C +ATOM 991 OG SER A 58 -13.615 4.155 5.058 1.00 0.00 O +ATOM 992 H SER A 58 -12.454 4.579 7.098 1.00 0.00 H +ATOM 993 HA SER A 58 -14.608 2.811 7.136 1.00 0.00 H +ATOM 994 HB2 SER A 58 -12.171 2.749 5.407 1.00 0.00 H +ATOM 995 HB3 SER A 58 -13.775 2.118 5.022 1.00 0.00 H +ATOM 996 HG SER A 58 -14.429 4.042 4.551 1.00 0.00 H +ATOM 997 N GLY A 59 -11.792 1.522 8.193 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.211 0.292 8.713 1.00 0.00 C +ATOM 999 C GLY A 59 -10.416 -0.433 7.645 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.155 -1.630 7.736 1.00 0.00 O +ATOM 1001 H GLY A 59 -11.309 2.369 8.298 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.565 0.527 9.546 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -12.005 -0.355 9.054 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.028 0.296 6.637 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.267 -0.259 5.547 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.797 0.027 5.719 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.413 1.028 6.341 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.771 0.243 4.191 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.049 -0.423 3.716 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.272 -0.174 4.323 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.028 -1.287 2.634 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.433 -0.770 3.868 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.179 -1.888 2.174 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.378 -1.628 2.791 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.530 -2.221 2.321 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.235 1.251 6.642 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.400 -1.330 5.586 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -9.959 1.305 4.258 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.007 0.070 3.448 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.305 0.495 5.169 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.085 -1.495 2.149 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.375 -0.564 4.356 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.135 -2.559 1.330 1.00 0.00 H +ATOM 1024 HH TYR A 60 -14.292 -3.122 2.061 1.00 0.00 H +ATOM 1025 N ARG A 61 -6.994 -0.874 5.226 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.563 -0.785 5.290 1.00 0.00 C +ATOM 1027 C ARG A 61 -4.995 -1.061 3.915 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.530 -1.883 3.162 1.00 0.00 O +ATOM 1029 CB ARG A 61 -4.929 -1.788 6.296 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.199 -1.562 7.794 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.634 -1.870 8.199 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.811 -1.837 9.654 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -7.733 -2.551 10.319 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -8.747 -3.099 9.654 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.694 -2.621 11.650 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.375 -1.638 4.736 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.305 0.222 5.584 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.289 -2.778 6.053 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -3.860 -1.779 6.142 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.544 -2.205 8.364 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -4.977 -0.531 8.031 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -7.286 -1.134 7.751 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.899 -2.851 7.835 1.00 0.00 H +ATOM 1044 HE ARG A 61 -6.146 -1.291 10.133 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -8.873 -2.977 8.669 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -9.448 -3.699 10.069 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -6.994 -2.160 12.201 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -8.378 -3.148 12.168 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.950 -0.384 3.593 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.262 -0.565 2.340 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.798 -0.813 2.662 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.209 -0.057 3.410 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.490 0.692 1.454 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.908 0.700 0.027 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.613 1.751 -0.805 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.428 1.021 0.048 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.614 0.284 4.230 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.670 -1.438 1.852 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.555 0.850 1.376 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.076 1.537 1.984 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.047 -0.265 -0.435 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.486 2.720 -0.346 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -4.665 1.513 -0.864 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.191 1.764 -1.799 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.052 1.040 -0.963 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -0.902 0.268 0.618 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.284 1.988 0.505 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.234 -1.877 2.135 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.137 -2.249 2.441 1.00 0.00 C +ATOM 1070 C VAL A 63 1.002 -2.131 1.189 1.00 0.00 C +ATOM 1071 O VAL A 63 0.716 -2.755 0.148 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.228 -3.698 3.004 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.657 -4.041 3.409 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.715 -3.888 4.187 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.724 -2.431 1.484 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.507 -1.560 3.186 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.069 -4.378 2.218 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.312 -3.945 2.555 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 1.692 -5.053 3.782 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 1.980 -3.366 4.190 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -1.730 -3.697 3.872 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.445 -3.200 4.975 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -0.635 -4.900 4.553 1.00 0.00 H +ATOM 1084 N TYR A 64 2.039 -1.347 1.284 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.928 -1.119 0.177 1.00 0.00 C +ATOM 1086 C TYR A 64 4.362 -1.235 0.620 1.00 0.00 C +ATOM 1087 O TYR A 64 4.649 -1.149 1.805 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.683 0.258 -0.478 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.884 1.481 0.414 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.150 1.870 0.848 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.812 2.254 0.789 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.323 2.981 1.628 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.981 3.368 1.568 1.00 0.00 C +ATOM 1094 CZ TYR A 64 3.239 3.727 1.985 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.408 4.835 2.766 1.00 0.00 O +ATOM 1096 H TYR A 64 2.235 -0.911 2.146 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.737 -1.886 -0.558 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.344 0.372 -1.323 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.662 0.281 -0.831 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 5.006 1.277 0.561 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.823 1.971 0.463 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.312 3.264 1.958 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 1.117 3.956 1.837 1.00 0.00 H +ATOM 1104 HH TYR A 64 2.745 4.825 3.461 1.00 0.00 H +ATOM 1105 N GLN A 65 5.238 -1.461 -0.308 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.644 -1.467 -0.024 1.00 0.00 C +ATOM 1107 C GLN A 65 7.271 -0.270 -0.708 1.00 0.00 C +ATOM 1108 O GLN A 65 6.866 0.104 -1.826 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.314 -2.761 -0.494 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.275 -2.974 -2.001 1.00 0.00 C +ATOM 1111 CD GLN A 65 7.941 -4.254 -2.447 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.557 -4.839 -3.462 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 8.934 -4.700 -1.718 1.00 0.00 N +ATOM 1114 H GLN A 65 4.937 -1.599 -1.234 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.774 -1.355 1.041 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.349 -2.735 -0.185 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.829 -3.599 -0.015 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.243 -2.999 -2.319 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.771 -2.139 -2.475 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.208 -4.192 -0.926 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.373 -5.538 -1.977 1.00 0.00 H +ATOM 1122 N VAL A 66 8.190 0.354 -0.060 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.870 1.467 -0.649 1.00 0.00 C +ATOM 1124 C VAL A 66 10.149 0.977 -1.271 1.00 0.00 C +ATOM 1125 O VAL A 66 11.063 0.551 -0.573 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.179 2.579 0.393 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.967 3.723 -0.234 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.895 3.109 0.992 1.00 0.00 C +ATOM 1129 H VAL A 66 8.443 0.049 0.843 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.238 1.875 -1.424 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.772 2.149 1.187 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 9.391 4.165 -1.034 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 10.897 3.341 -0.629 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 10.175 4.469 0.518 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 8.131 3.867 1.724 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.364 2.299 1.469 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 7.278 3.538 0.215 1.00 0.00 H +ATOM 1138 N ILE A 67 10.208 1.011 -2.573 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.392 0.613 -3.248 1.00 0.00 C +ATOM 1140 C ILE A 67 12.147 1.875 -3.566 1.00 0.00 C +ATOM 1141 O ILE A 67 11.876 2.553 -4.573 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.096 -0.164 -4.552 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.089 -1.295 -4.281 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.396 -0.743 -5.108 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.649 -2.047 -5.524 1.00 0.00 C +ATOM 1146 H ILE A 67 9.447 1.336 -3.104 1.00 0.00 H +ATOM 1147 HA ILE A 67 11.981 0.001 -2.579 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.678 0.518 -5.278 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.535 -2.006 -3.602 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.210 -0.873 -3.818 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 12.832 -1.407 -4.375 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 13.085 0.060 -5.322 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 12.186 -1.294 -6.012 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 10.509 -2.498 -5.997 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.182 -1.358 -6.212 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 8.942 -2.816 -5.250 1.00 0.00 H +ATOM 1157 N ASP A 68 13.062 2.204 -2.710 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.812 3.438 -2.807 1.00 0.00 C +ATOM 1159 C ASP A 68 14.797 3.370 -3.961 1.00 0.00 C +ATOM 1160 O ASP A 68 15.095 4.387 -4.592 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.503 3.758 -1.474 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.158 5.119 -1.454 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 14.447 6.135 -1.364 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 16.397 5.200 -1.494 1.00 0.00 O +ATOM 1165 H ASP A 68 13.262 1.580 -1.975 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.102 4.222 -3.030 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 13.770 3.728 -0.681 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.258 3.010 -1.283 1.00 0.00 H +ATOM 1169 N GLU A 69 15.258 2.147 -4.266 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.149 1.901 -5.409 1.00 0.00 C +ATOM 1171 C GLU A 69 15.487 2.324 -6.716 1.00 0.00 C +ATOM 1172 O GLU A 69 16.112 2.922 -7.580 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.490 0.411 -5.544 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.358 -0.194 -4.457 1.00 0.00 C +ATOM 1175 CD GLU A 69 17.650 -1.651 -4.749 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 18.376 -1.935 -5.730 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 17.120 -2.538 -4.057 1.00 0.00 O +ATOM 1178 H GLU A 69 15.008 1.406 -3.670 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.063 2.456 -5.264 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.566 -0.145 -5.563 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 16.984 0.265 -6.492 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 18.291 0.348 -4.405 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 16.842 -0.130 -3.512 1.00 0.00 H +ATOM 1184 N LYS A 70 14.210 2.036 -6.837 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.501 2.302 -8.072 1.00 0.00 C +ATOM 1186 C LYS A 70 12.724 3.608 -7.994 1.00 0.00 C +ATOM 1187 O LYS A 70 12.198 4.090 -9.009 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.571 1.131 -8.416 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.291 -0.188 -8.671 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.308 -1.315 -8.971 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.015 -2.657 -9.164 1.00 0.00 C +ATOM 1192 NZ LYS A 70 13.933 -2.661 -10.330 1.00 0.00 N +ATOM 1193 H LYS A 70 13.739 1.645 -6.073 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.243 2.389 -8.850 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 11.912 0.975 -7.576 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 11.987 1.380 -9.290 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 13.946 -0.066 -9.520 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 13.871 -0.444 -7.797 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 11.610 -1.404 -8.153 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 11.767 -1.071 -9.873 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 13.586 -2.880 -8.274 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 12.266 -3.423 -9.302 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 13.402 -2.456 -11.203 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 14.383 -3.589 -10.457 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 14.681 -1.945 -10.243 1.00 0.00 H +ATOM 1206 N VAL A 71 12.702 4.193 -6.788 1.00 0.00 N +ATOM 1207 CA VAL A 71 11.998 5.456 -6.498 1.00 0.00 C +ATOM 1208 C VAL A 71 10.466 5.243 -6.680 1.00 0.00 C +ATOM 1209 O VAL A 71 9.711 6.133 -7.077 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.545 6.644 -7.395 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 11.965 7.995 -6.980 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.072 6.707 -7.340 1.00 0.00 C +ATOM 1213 H VAL A 71 13.183 3.756 -6.054 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.177 5.675 -5.454 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.254 6.454 -8.417 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 12.365 8.770 -7.617 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.232 8.200 -5.954 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 10.890 7.969 -7.071 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.481 5.778 -7.710 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.392 6.862 -6.320 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.421 7.523 -7.956 1.00 0.00 H +ATOM 1222 N VAL A 72 10.002 4.072 -6.308 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.604 3.757 -6.469 1.00 0.00 C +ATOM 1224 C VAL A 72 8.040 3.110 -5.209 1.00 0.00 C +ATOM 1225 O VAL A 72 8.701 2.310 -4.541 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.338 2.855 -7.737 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.046 1.521 -7.640 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 6.846 2.645 -7.993 1.00 0.00 C +ATOM 1229 H VAL A 72 10.593 3.415 -5.879 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.089 4.696 -6.612 1.00 0.00 H +ATOM 1231 HB VAL A 72 8.756 3.373 -8.589 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 10.105 1.702 -7.532 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 8.861 0.953 -8.540 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 8.679 0.978 -6.780 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.710 2.036 -8.875 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.360 3.599 -8.133 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.405 2.145 -7.143 1.00 0.00 H +ATOM 1238 N VAL A 73 6.862 3.517 -4.875 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.104 2.958 -3.814 1.00 0.00 C +ATOM 1240 C VAL A 73 5.181 1.934 -4.451 1.00 0.00 C +ATOM 1241 O VAL A 73 4.321 2.277 -5.283 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.295 4.064 -3.092 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.366 3.479 -2.065 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.236 5.058 -2.431 1.00 0.00 C +ATOM 1245 H VAL A 73 6.442 4.240 -5.392 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.773 2.472 -3.119 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.714 4.599 -3.828 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 3.674 2.805 -2.549 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 3.817 4.273 -1.581 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 4.940 2.935 -1.330 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 6.866 5.513 -3.181 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 6.853 4.541 -1.711 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 5.661 5.823 -1.931 1.00 0.00 H +ATOM 1254 N PHE A 74 5.378 0.700 -4.110 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.689 -0.371 -4.762 1.00 0.00 C +ATOM 1256 C PHE A 74 3.699 -1.020 -3.813 1.00 0.00 C +ATOM 1257 O PHE A 74 4.091 -1.630 -2.816 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.720 -1.388 -5.258 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.183 -2.391 -6.223 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.951 -2.022 -7.527 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 4.918 -3.693 -5.839 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.463 -2.919 -8.438 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.428 -4.603 -6.753 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.201 -4.214 -8.054 1.00 0.00 C +ATOM 1265 H PHE A 74 5.999 0.491 -3.374 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.165 0.029 -5.618 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.524 -0.862 -5.751 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.121 -1.920 -4.407 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 5.161 -1.005 -7.824 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.096 -3.995 -4.817 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.285 -2.604 -9.454 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.220 -5.620 -6.455 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.819 -4.923 -8.775 1.00 0.00 H +ATOM 1274 N VAL A 75 2.433 -0.866 -4.107 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.374 -1.432 -3.296 1.00 0.00 C +ATOM 1276 C VAL A 75 1.292 -2.925 -3.542 1.00 0.00 C +ATOM 1277 O VAL A 75 1.168 -3.359 -4.682 1.00 0.00 O +ATOM 1278 CB VAL A 75 0.007 -0.766 -3.602 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.103 -1.335 -2.718 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.102 0.746 -3.447 1.00 0.00 C +ATOM 1281 H VAL A 75 2.196 -0.358 -4.917 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.623 -1.264 -2.258 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.244 -0.985 -4.630 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -0.850 -1.172 -1.681 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -1.200 -2.395 -2.899 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -2.037 -0.841 -2.942 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.436 0.991 -2.450 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 -0.868 1.188 -3.618 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.805 1.136 -4.167 1.00 0.00 H +ATOM 1290 N ILE A 76 1.379 -3.701 -2.486 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.368 -5.145 -2.607 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.033 -5.683 -2.335 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.520 -6.581 -3.020 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.351 -5.805 -1.599 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.751 -5.181 -1.706 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.433 -7.315 -1.853 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.733 -5.710 -0.679 1.00 0.00 C +ATOM 1298 H ILE A 76 1.438 -3.292 -1.595 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.672 -5.410 -3.609 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.967 -5.649 -0.601 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.156 -5.386 -2.686 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.670 -4.112 -1.572 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 2.777 -7.490 -2.863 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 1.459 -7.762 -1.720 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 3.133 -7.755 -1.158 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 5.695 -5.240 -0.822 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.830 -6.779 -0.800 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 4.367 -5.494 0.314 1.00 0.00 H +ATOM 1309 N SER A 77 -0.683 -5.135 -1.334 1.00 0.00 N +ATOM 1310 CA SER A 77 -1.987 -5.603 -0.928 1.00 0.00 C +ATOM 1311 C SER A 77 -2.815 -4.446 -0.380 1.00 0.00 C +ATOM 1312 O SER A 77 -2.265 -3.467 0.125 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.821 -6.697 0.131 1.00 0.00 C +ATOM 1314 OG SER A 77 -1.057 -7.776 -0.384 1.00 0.00 O +ATOM 1315 H SER A 77 -0.298 -4.379 -0.839 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.483 -6.025 -1.790 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.295 -6.287 0.982 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.789 -7.063 0.438 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.868 -7.591 -1.312 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.115 -4.542 -0.509 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.008 -3.515 -0.039 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.340 -4.152 0.382 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.723 -5.198 -0.152 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.214 -2.413 -1.136 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.805 -2.980 -2.411 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.048 -1.257 -0.625 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.529 -5.333 -0.916 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.554 -3.065 0.832 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.233 -2.035 -1.386 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -5.932 -2.187 -3.133 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -6.762 -3.431 -2.195 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -5.136 -3.727 -2.813 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -7.021 -1.621 -0.328 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -6.157 -0.516 -1.403 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -5.555 -0.814 0.227 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.983 -3.584 1.373 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.260 -4.072 1.806 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.431 -3.889 3.276 1.00 0.00 C +ATOM 1339 O GLY A 79 -8.306 -2.786 3.784 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.582 -2.827 1.859 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -9.033 -3.518 1.296 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.352 -5.119 1.568 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.707 -4.944 3.964 1.00 0.00 N +ATOM 1344 CA LYS A 80 -8.861 -4.897 5.387 1.00 0.00 C +ATOM 1345 C LYS A 80 -7.894 -5.862 6.031 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.284 -6.676 5.348 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.314 -5.156 5.804 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.273 -4.055 5.350 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.721 -4.333 5.729 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.276 -5.549 5.004 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -14.691 -5.785 5.340 1.00 0.00 N +ATOM 1352 H LYS A 80 -8.805 -5.815 3.520 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.579 -3.900 5.692 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.639 -6.098 5.390 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.349 -5.207 6.883 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -10.974 -3.126 5.810 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.201 -3.957 4.276 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -12.776 -4.510 6.793 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.318 -3.468 5.479 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -13.188 -5.396 3.939 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -12.698 -6.414 5.293 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -14.800 -5.912 6.366 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -15.042 -6.656 4.893 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -15.297 -4.994 5.047 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.736 -5.759 7.320 1.00 0.00 N +ATOM 1366 CA ALA A 81 -6.766 -6.560 8.029 1.00 0.00 C +ATOM 1367 C ALA A 81 -7.459 -7.320 9.136 1.00 0.00 C +ATOM 1368 O ALA A 81 -6.854 -7.673 10.153 1.00 0.00 O +ATOM 1369 CB ALA A 81 -5.679 -5.656 8.586 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.310 -5.159 7.844 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.321 -7.257 7.335 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -5.207 -5.119 7.776 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -4.940 -6.262 9.089 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -6.111 -4.954 9.283 1.00 0.00 H +ATOM 1375 N GLU A 82 -8.701 -7.654 8.872 1.00 0.00 N +ATOM 1376 CA GLU A 82 -9.577 -8.296 9.835 1.00 0.00 C +ATOM 1377 C GLU A 82 -9.058 -9.679 10.195 1.00 0.00 C +ATOM 1378 O GLU A 82 -9.056 -10.076 11.361 1.00 0.00 O +ATOM 1379 CB GLU A 82 -10.995 -8.413 9.271 1.00 0.00 C +ATOM 1380 CG GLU A 82 -11.566 -7.107 8.740 1.00 0.00 C +ATOM 1381 CD GLU A 82 -11.466 -5.973 9.730 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -12.313 -5.878 10.639 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -10.529 -5.160 9.617 1.00 0.00 O +ATOM 1384 H GLU A 82 -9.025 -7.489 7.963 1.00 0.00 H +ATOM 1385 HA GLU A 82 -9.608 -7.687 10.725 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -10.986 -9.131 8.465 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -11.642 -8.776 10.054 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -11.028 -6.838 7.844 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -12.607 -7.263 8.495 1.00 0.00 H +ATOM 1390 N ALA A 83 -8.580 -10.386 9.205 1.00 0.00 N +ATOM 1391 CA ALA A 83 -8.051 -11.718 9.394 1.00 0.00 C +ATOM 1392 C ALA A 83 -6.576 -11.711 9.050 1.00 0.00 C +ATOM 1393 O ALA A 83 -5.964 -12.759 8.861 1.00 0.00 O +ATOM 1394 CB ALA A 83 -8.801 -12.710 8.514 1.00 0.00 C +ATOM 1395 H ALA A 83 -8.552 -9.996 8.297 1.00 0.00 H +ATOM 1396 HA ALA A 83 -8.180 -11.996 10.429 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -8.679 -12.436 7.477 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -9.850 -12.698 8.770 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -8.405 -13.702 8.672 1.00 0.00 H +ATOM 1400 N SER A 84 -6.020 -10.496 8.981 1.00 0.00 N +ATOM 1401 CA SER A 84 -4.622 -10.243 8.633 1.00 0.00 C +ATOM 1402 C SER A 84 -4.342 -10.643 7.172 1.00 0.00 C +ATOM 1403 O SER A 84 -3.188 -10.803 6.776 1.00 0.00 O +ATOM 1404 CB SER A 84 -3.678 -10.984 9.601 1.00 0.00 C +ATOM 1405 OG SER A 84 -3.957 -10.624 10.949 1.00 0.00 O +ATOM 1406 H SER A 84 -6.607 -9.734 9.168 1.00 0.00 H +ATOM 1407 HA SER A 84 -4.461 -9.180 8.726 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -3.818 -12.049 9.488 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -2.653 -10.731 9.374 1.00 0.00 H +ATOM 1410 HG SER A 84 -4.916 -10.602 11.058 1.00 0.00 H +ATOM 1411 N GLU A 85 -5.404 -10.683 6.363 1.00 0.00 N +ATOM 1412 CA GLU A 85 -5.357 -11.138 4.994 1.00 0.00 C +ATOM 1413 C GLU A 85 -4.385 -10.325 4.135 1.00 0.00 C +ATOM 1414 O GLU A 85 -3.610 -10.893 3.360 1.00 0.00 O +ATOM 1415 CB GLU A 85 -6.772 -11.202 4.355 1.00 0.00 C +ATOM 1416 CG GLU A 85 -7.621 -9.919 4.429 1.00 0.00 C +ATOM 1417 CD GLU A 85 -8.351 -9.718 5.754 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -7.701 -9.472 6.781 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -9.598 -9.783 5.771 1.00 0.00 O +ATOM 1420 H GLU A 85 -6.282 -10.362 6.685 1.00 0.00 H +ATOM 1421 HA GLU A 85 -4.969 -12.144 5.033 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -6.645 -11.442 3.314 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -7.324 -12.002 4.826 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -6.966 -9.074 4.276 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -8.349 -9.949 3.632 1.00 0.00 H +ATOM 1426 N VAL A 86 -4.378 -9.009 4.318 1.00 0.00 N +ATOM 1427 CA VAL A 86 -3.464 -8.143 3.566 1.00 0.00 C +ATOM 1428 C VAL A 86 -2.004 -8.381 3.946 1.00 0.00 C +ATOM 1429 O VAL A 86 -1.102 -8.134 3.160 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.803 -6.631 3.689 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -5.135 -6.332 3.034 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -3.810 -6.176 5.148 1.00 0.00 C +ATOM 1433 H VAL A 86 -5.020 -8.621 4.949 1.00 0.00 H +ATOM 1434 HA VAL A 86 -3.570 -8.431 2.529 1.00 0.00 H +ATOM 1435 HB VAL A 86 -3.044 -6.075 3.159 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -5.910 -6.905 3.519 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -5.092 -6.595 1.987 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -5.355 -5.279 3.130 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -2.834 -6.342 5.580 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -4.549 -6.740 5.696 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -4.051 -5.125 5.196 1.00 0.00 H +ATOM 1442 N TYR A 87 -1.779 -8.887 5.140 1.00 0.00 N +ATOM 1443 CA TYR A 87 -0.433 -9.162 5.576 1.00 0.00 C +ATOM 1444 C TYR A 87 -0.016 -10.496 5.033 1.00 0.00 C +ATOM 1445 O TYR A 87 1.091 -10.646 4.536 1.00 0.00 O +ATOM 1446 CB TYR A 87 -0.310 -9.139 7.102 1.00 0.00 C +ATOM 1447 CG TYR A 87 -0.693 -7.816 7.722 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 0.022 -6.663 7.434 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 -1.764 -7.720 8.596 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 -0.321 -5.453 7.997 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 -2.112 -6.515 9.164 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -1.390 -5.386 8.860 1.00 0.00 C +ATOM 1453 OH TYR A 87 -1.736 -4.183 9.425 1.00 0.00 O +ATOM 1454 H TYR A 87 -2.536 -9.117 5.720 1.00 0.00 H +ATOM 1455 HA TYR A 87 0.208 -8.402 5.154 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 -0.953 -9.902 7.516 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 0.711 -9.355 7.376 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 0.859 -6.723 6.755 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 -2.329 -8.608 8.835 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 0.249 -4.567 7.760 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 -2.949 -6.460 9.843 1.00 0.00 H +ATOM 1462 HH TYR A 87 -1.781 -3.508 8.740 1.00 0.00 H +ATOM 1463 N SER A 88 -0.943 -11.447 5.084 1.00 0.00 N +ATOM 1464 CA SER A 88 -0.727 -12.789 4.590 1.00 0.00 C +ATOM 1465 C SER A 88 -0.365 -12.770 3.103 1.00 0.00 C +ATOM 1466 O SER A 88 0.556 -13.470 2.663 1.00 0.00 O +ATOM 1467 CB SER A 88 -2.000 -13.600 4.789 1.00 0.00 C +ATOM 1468 OG SER A 88 -2.424 -13.556 6.146 1.00 0.00 O +ATOM 1469 H SER A 88 -1.819 -11.246 5.481 1.00 0.00 H +ATOM 1470 HA SER A 88 0.067 -13.246 5.158 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -2.781 -13.188 4.167 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -1.819 -14.626 4.508 1.00 0.00 H +ATOM 1473 HG SER A 88 -1.648 -13.451 6.712 1.00 0.00 H +ATOM 1474 N GLU A 89 -1.084 -11.962 2.346 1.00 0.00 N +ATOM 1475 CA GLU A 89 -0.871 -11.856 0.923 1.00 0.00 C +ATOM 1476 C GLU A 89 0.528 -11.289 0.646 1.00 0.00 C +ATOM 1477 O GLU A 89 1.319 -11.873 -0.112 1.00 0.00 O +ATOM 1478 CB GLU A 89 -1.946 -10.952 0.314 1.00 0.00 C +ATOM 1479 CG GLU A 89 -1.997 -10.989 -1.197 1.00 0.00 C +ATOM 1480 CD GLU A 89 -2.365 -12.353 -1.703 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -3.574 -12.648 -1.822 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -1.473 -13.156 -1.978 1.00 0.00 O +ATOM 1483 H GLU A 89 -1.799 -11.426 2.756 1.00 0.00 H +ATOM 1484 HA GLU A 89 -0.950 -12.841 0.489 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -2.910 -11.259 0.690 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -1.759 -9.935 0.624 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -2.729 -10.275 -1.544 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -1.024 -10.728 -1.586 1.00 0.00 H +ATOM 1489 N ALA A 90 0.838 -10.189 1.313 1.00 0.00 N +ATOM 1490 CA ALA A 90 2.101 -9.499 1.145 1.00 0.00 C +ATOM 1491 C ALA A 90 3.293 -10.366 1.549 1.00 0.00 C +ATOM 1492 O ALA A 90 4.230 -10.553 0.762 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.099 -8.193 1.928 1.00 0.00 C +ATOM 1494 H ALA A 90 0.177 -9.815 1.933 1.00 0.00 H +ATOM 1495 HA ALA A 90 2.196 -9.255 0.097 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 2.037 -8.410 2.984 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 1.247 -7.596 1.635 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 3.008 -7.649 1.725 1.00 0.00 H +ATOM 1499 N VAL A 91 3.237 -10.941 2.747 1.00 0.00 N +ATOM 1500 CA VAL A 91 4.359 -11.711 3.266 1.00 0.00 C +ATOM 1501 C VAL A 91 4.599 -12.991 2.456 1.00 0.00 C +ATOM 1502 O VAL A 91 5.731 -13.407 2.285 1.00 0.00 O +ATOM 1503 CB VAL A 91 4.243 -12.020 4.807 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 3.088 -12.959 5.132 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 5.560 -12.554 5.368 1.00 0.00 C +ATOM 1506 H VAL A 91 2.424 -10.839 3.293 1.00 0.00 H +ATOM 1507 HA VAL A 91 5.230 -11.090 3.113 1.00 0.00 H +ATOM 1508 HB VAL A 91 4.028 -11.083 5.299 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 3.062 -13.147 6.195 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 3.216 -13.891 4.603 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 2.159 -12.498 4.825 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 6.339 -11.820 5.223 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 5.826 -13.467 4.855 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 5.446 -12.756 6.424 1.00 0.00 H +ATOM 1515 N LYS A 92 3.546 -13.586 1.918 1.00 0.00 N +ATOM 1516 CA LYS A 92 3.710 -14.806 1.135 1.00 0.00 C +ATOM 1517 C LYS A 92 4.231 -14.550 -0.261 1.00 0.00 C +ATOM 1518 O LYS A 92 4.677 -15.470 -0.935 1.00 0.00 O +ATOM 1519 CB LYS A 92 2.463 -15.686 1.116 1.00 0.00 C +ATOM 1520 CG LYS A 92 2.090 -16.345 2.460 1.00 0.00 C +ATOM 1521 CD LYS A 92 3.239 -17.169 3.049 1.00 0.00 C +ATOM 1522 CE LYS A 92 4.105 -16.354 4.006 1.00 0.00 C +ATOM 1523 NZ LYS A 92 5.346 -17.051 4.358 1.00 0.00 N +ATOM 1524 H LYS A 92 2.648 -13.207 2.043 1.00 0.00 H +ATOM 1525 HA LYS A 92 4.499 -15.359 1.622 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 1.626 -15.079 0.804 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 2.611 -16.468 0.387 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 1.820 -15.576 3.168 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 1.242 -16.992 2.295 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 2.825 -18.006 3.591 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 3.856 -17.535 2.242 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 4.352 -15.401 3.563 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 3.537 -16.181 4.908 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 5.846 -16.547 5.118 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 5.975 -17.083 3.523 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 5.164 -18.023 4.677 1.00 0.00 H +ATOM 1537 N ARG A 93 4.178 -13.315 -0.712 1.00 0.00 N +ATOM 1538 CA ARG A 93 4.762 -13.004 -1.999 1.00 0.00 C +ATOM 1539 C ARG A 93 6.270 -12.861 -1.808 1.00 0.00 C +ATOM 1540 O ARG A 93 7.077 -13.263 -2.652 1.00 0.00 O +ATOM 1541 CB ARG A 93 4.205 -11.702 -2.575 1.00 0.00 C +ATOM 1542 CG ARG A 93 4.525 -11.520 -4.055 1.00 0.00 C +ATOM 1543 CD ARG A 93 4.402 -10.075 -4.482 1.00 0.00 C +ATOM 1544 NE ARG A 93 5.469 -9.268 -3.883 1.00 0.00 N +ATOM 1545 CZ ARG A 93 5.647 -7.959 -4.044 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 4.833 -7.252 -4.830 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 6.669 -7.368 -3.437 1.00 0.00 N +ATOM 1548 H ARG A 93 3.724 -12.617 -0.188 1.00 0.00 H +ATOM 1549 HA ARG A 93 4.571 -13.822 -2.673 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 3.133 -11.696 -2.453 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 4.630 -10.871 -2.033 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 5.538 -11.852 -4.234 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 3.844 -12.122 -4.638 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 4.476 -10.018 -5.557 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 3.446 -9.691 -4.159 1.00 0.00 H +ATOM 1556 HE ARG A 93 6.108 -9.778 -3.333 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 4.059 -7.667 -5.335 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 4.945 -6.270 -4.973 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 7.317 -7.876 -2.860 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 6.870 -6.384 -3.520 1.00 0.00 H +ATOM 1561 N ILE A 94 6.627 -12.336 -0.664 1.00 0.00 N +ATOM 1562 CA ILE A 94 8.007 -12.049 -0.318 1.00 0.00 C +ATOM 1563 C ILE A 94 8.715 -13.305 0.224 1.00 0.00 C +ATOM 1564 O ILE A 94 9.914 -13.511 0.001 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.046 -10.890 0.714 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 7.313 -9.679 0.124 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 9.484 -10.517 1.072 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 7.130 -8.530 1.075 1.00 0.00 C +ATOM 1569 H ILE A 94 5.925 -12.123 -0.013 1.00 0.00 H +ATOM 1570 HA ILE A 94 8.516 -11.729 -1.214 1.00 0.00 H +ATOM 1571 HB ILE A 94 7.530 -11.199 1.611 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 7.870 -9.311 -0.724 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 6.335 -9.993 -0.214 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 10.004 -10.196 0.182 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 9.985 -11.376 1.494 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 9.475 -9.714 1.795 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 8.094 -8.188 1.420 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 6.532 -8.869 1.908 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 6.616 -7.732 0.561 1.00 0.00 H +ATOM 1580 N LEU A 95 7.989 -14.130 0.924 1.00 0.00 N +ATOM 1581 CA LEU A 95 8.524 -15.364 1.438 1.00 0.00 C +ATOM 1582 C LEU A 95 7.526 -16.482 1.181 1.00 0.00 C +ATOM 1583 O LEU A 95 6.797 -16.886 2.114 1.00 0.00 O +ATOM 1584 CB LEU A 95 8.824 -15.241 2.944 1.00 0.00 C +ATOM 1585 CG LEU A 95 9.450 -16.475 3.611 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 10.827 -16.769 3.038 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 9.509 -16.304 5.118 1.00 0.00 C +ATOM 1588 OXT LEU A 95 7.433 -16.946 0.031 1.00 0.00 O +ATOM 1589 H LEU A 95 7.049 -13.926 1.129 1.00 0.00 H +ATOM 1590 HA LEU A 95 9.440 -15.576 0.908 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 9.494 -14.406 3.085 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 7.898 -15.018 3.452 1.00 0.00 H +ATOM 1593 HG LEU A 95 8.825 -17.330 3.392 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 11.251 -17.627 3.536 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 11.467 -15.912 3.183 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 10.739 -16.978 1.981 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 9.978 -17.169 5.563 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 8.506 -16.203 5.507 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 10.079 -15.420 5.360 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 3 +ATOM 1 N MET A 1 12.213 14.189 -1.788 1.00 0.00 N +ATOM 2 CA MET A 1 12.256 13.166 -2.817 1.00 0.00 C +ATOM 3 C MET A 1 10.875 12.584 -2.947 1.00 0.00 C +ATOM 4 O MET A 1 10.178 12.424 -1.950 1.00 0.00 O +ATOM 5 CB MET A 1 13.246 12.058 -2.435 1.00 0.00 C +ATOM 6 CG MET A 1 13.489 11.022 -3.528 1.00 0.00 C +ATOM 7 SD MET A 1 14.595 9.691 -3.001 1.00 0.00 S +ATOM 8 CE MET A 1 14.750 8.767 -4.530 1.00 0.00 C +ATOM 9 H MET A 1 11.844 13.772 -0.913 1.00 0.00 H +ATOM 10 HA MET A 1 12.549 13.614 -3.753 1.00 0.00 H +ATOM 11 HB2 MET A 1 14.193 12.508 -2.181 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.850 11.548 -1.572 1.00 0.00 H +ATOM 13 HG2 MET A 1 12.542 10.587 -3.814 1.00 0.00 H +ATOM 14 HG3 MET A 1 13.928 11.519 -4.381 1.00 0.00 H +ATOM 15 HE1 MET A 1 15.395 7.916 -4.374 1.00 0.00 H +ATOM 16 HE2 MET A 1 15.170 9.401 -5.296 1.00 0.00 H +ATOM 17 HE3 MET A 1 13.774 8.426 -4.843 1.00 0.00 H +ATOM 18 N ALA A 2 10.477 12.297 -4.144 1.00 0.00 N +ATOM 19 CA ALA A 2 9.206 11.670 -4.399 1.00 0.00 C +ATOM 20 C ALA A 2 9.470 10.342 -5.055 1.00 0.00 C +ATOM 21 O ALA A 2 10.590 10.084 -5.508 1.00 0.00 O +ATOM 22 CB ALA A 2 8.319 12.536 -5.278 1.00 0.00 C +ATOM 23 H ALA A 2 11.078 12.481 -4.900 1.00 0.00 H +ATOM 24 HA ALA A 2 8.721 11.504 -3.448 1.00 0.00 H +ATOM 25 HB1 ALA A 2 7.376 12.030 -5.424 1.00 0.00 H +ATOM 26 HB2 ALA A 2 8.798 12.696 -6.232 1.00 0.00 H +ATOM 27 HB3 ALA A 2 8.145 13.484 -4.789 1.00 0.00 H +ATOM 28 N TYR A 3 8.485 9.503 -5.103 1.00 0.00 N +ATOM 29 CA TYR A 3 8.647 8.178 -5.655 1.00 0.00 C +ATOM 30 C TYR A 3 7.494 7.881 -6.569 1.00 0.00 C +ATOM 31 O TYR A 3 6.500 8.620 -6.579 1.00 0.00 O +ATOM 32 CB TYR A 3 8.692 7.122 -4.528 1.00 0.00 C +ATOM 33 CG TYR A 3 9.844 7.280 -3.557 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.771 8.185 -2.509 1.00 0.00 C +ATOM 35 CD2 TYR A 3 11.008 6.538 -3.699 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.814 8.349 -1.633 1.00 0.00 C +ATOM 37 CE2 TYR A 3 12.064 6.699 -2.822 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.957 7.610 -1.790 1.00 0.00 C +ATOM 39 OH TYR A 3 12.995 7.780 -0.907 1.00 0.00 O +ATOM 40 H TYR A 3 7.597 9.768 -4.781 1.00 0.00 H +ATOM 41 HA TYR A 3 9.575 8.142 -6.207 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.779 7.188 -3.955 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.757 6.139 -4.971 1.00 0.00 H +ATOM 44 HD1 TYR A 3 8.870 8.767 -2.383 1.00 0.00 H +ATOM 45 HD2 TYR A 3 11.079 5.826 -4.508 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.733 9.061 -0.826 1.00 0.00 H +ATOM 47 HE2 TYR A 3 12.963 6.115 -2.945 1.00 0.00 H +ATOM 48 HH TYR A 3 13.798 7.953 -1.414 1.00 0.00 H +ATOM 49 N PHE A 4 7.622 6.839 -7.338 1.00 0.00 N +ATOM 50 CA PHE A 4 6.543 6.390 -8.176 1.00 0.00 C +ATOM 51 C PHE A 4 5.601 5.570 -7.322 1.00 0.00 C +ATOM 52 O PHE A 4 5.996 5.079 -6.278 1.00 0.00 O +ATOM 53 CB PHE A 4 7.072 5.535 -9.336 1.00 0.00 C +ATOM 54 CG PHE A 4 7.967 6.265 -10.290 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.438 7.159 -11.203 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.335 6.056 -10.276 1.00 0.00 C +ATOM 57 CE1 PHE A 4 8.255 7.833 -12.083 1.00 0.00 C +ATOM 58 CE2 PHE A 4 10.158 6.726 -11.155 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.617 7.615 -12.060 1.00 0.00 C +ATOM 60 H PHE A 4 8.472 6.343 -7.336 1.00 0.00 H +ATOM 61 HA PHE A 4 6.028 7.253 -8.564 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.652 4.726 -8.919 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.247 5.115 -9.892 1.00 0.00 H +ATOM 64 HD1 PHE A 4 6.372 7.329 -11.220 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.758 5.359 -9.567 1.00 0.00 H +ATOM 66 HE1 PHE A 4 7.831 8.528 -12.793 1.00 0.00 H +ATOM 67 HE2 PHE A 4 11.224 6.555 -11.134 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.258 8.140 -12.752 1.00 0.00 H +ATOM 69 N LEU A 5 4.382 5.441 -7.729 1.00 0.00 N +ATOM 70 CA LEU A 5 3.428 4.641 -6.991 1.00 0.00 C +ATOM 71 C LEU A 5 2.851 3.635 -7.960 1.00 0.00 C +ATOM 72 O LEU A 5 2.315 4.022 -9.003 1.00 0.00 O +ATOM 73 CB LEU A 5 2.316 5.558 -6.403 1.00 0.00 C +ATOM 74 CG LEU A 5 1.372 4.989 -5.293 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.517 3.825 -5.761 1.00 0.00 C +ATOM 76 CD2 LEU A 5 2.155 4.604 -4.053 1.00 0.00 C +ATOM 77 H LEU A 5 4.089 5.886 -8.552 1.00 0.00 H +ATOM 78 HA LEU A 5 3.946 4.129 -6.193 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.807 6.426 -5.992 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.700 5.887 -7.228 1.00 0.00 H +ATOM 81 HG LEU A 5 0.689 5.777 -5.011 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.155 4.154 -6.540 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.041 3.432 -4.924 1.00 0.00 H +ATOM 84 HD13 LEU A 5 1.163 3.049 -6.146 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.893 3.857 -4.309 1.00 0.00 H +ATOM 86 HD22 LEU A 5 1.479 4.197 -3.316 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.647 5.474 -3.646 1.00 0.00 H +ATOM 88 N ASP A 6 2.973 2.368 -7.658 1.00 0.00 N +ATOM 89 CA ASP A 6 2.436 1.352 -8.533 1.00 0.00 C +ATOM 90 C ASP A 6 1.814 0.241 -7.695 1.00 0.00 C +ATOM 91 O ASP A 6 1.999 0.213 -6.479 1.00 0.00 O +ATOM 92 CB ASP A 6 3.511 0.824 -9.492 1.00 0.00 C +ATOM 93 CG ASP A 6 2.910 0.263 -10.757 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.708 1.038 -11.730 1.00 0.00 O +ATOM 95 OD2 ASP A 6 2.595 -0.925 -10.805 1.00 0.00 O +ATOM 96 H ASP A 6 3.422 2.090 -6.824 1.00 0.00 H +ATOM 97 HA ASP A 6 1.641 1.811 -9.100 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.176 1.632 -9.758 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.074 0.044 -9.000 1.00 0.00 H +ATOM 100 N PHE A 7 1.092 -0.657 -8.317 1.00 0.00 N +ATOM 101 CA PHE A 7 0.335 -1.675 -7.599 1.00 0.00 C +ATOM 102 C PHE A 7 0.634 -3.044 -8.177 1.00 0.00 C +ATOM 103 O PHE A 7 0.889 -3.164 -9.383 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.187 -1.450 -7.778 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.757 -0.123 -7.331 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -1.661 1.001 -8.138 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.422 -0.014 -6.124 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.206 2.205 -7.746 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.975 1.187 -5.726 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.867 2.296 -6.537 1.00 0.00 C +ATOM 111 H PHE A 7 1.108 -0.693 -9.299 1.00 0.00 H +ATOM 112 HA PHE A 7 0.571 -1.638 -6.548 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.413 -1.538 -8.830 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.711 -2.234 -7.253 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.142 0.930 -9.084 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.504 -0.881 -5.485 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.119 3.072 -8.383 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.492 1.257 -4.780 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.297 3.238 -6.228 1.00 0.00 H +ATOM 120 N ASP A 8 0.604 -4.071 -7.342 1.00 0.00 N +ATOM 121 CA ASP A 8 0.669 -5.450 -7.842 1.00 0.00 C +ATOM 122 C ASP A 8 -0.601 -5.708 -8.646 1.00 0.00 C +ATOM 123 O ASP A 8 -1.624 -5.042 -8.412 1.00 0.00 O +ATOM 124 CB ASP A 8 0.770 -6.474 -6.684 1.00 0.00 C +ATOM 125 CG ASP A 8 0.871 -7.915 -7.183 1.00 0.00 C +ATOM 126 OD1 ASP A 8 2.003 -8.376 -7.498 1.00 0.00 O +ATOM 127 OD2 ASP A 8 -0.167 -8.593 -7.306 1.00 0.00 O +ATOM 128 H ASP A 8 0.560 -3.913 -6.372 1.00 0.00 H +ATOM 129 HA ASP A 8 1.529 -5.532 -8.491 1.00 0.00 H +ATOM 130 HB2 ASP A 8 1.644 -6.258 -6.089 1.00 0.00 H +ATOM 131 HB3 ASP A 8 -0.109 -6.388 -6.063 1.00 0.00 H +ATOM 132 N GLU A 9 -0.558 -6.628 -9.585 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.715 -6.902 -10.412 1.00 0.00 C +ATOM 134 C GLU A 9 -2.912 -7.394 -9.565 1.00 0.00 C +ATOM 135 O GLU A 9 -4.065 -7.069 -9.861 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.347 -7.835 -11.584 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.932 -9.256 -11.217 1.00 0.00 C +ATOM 138 CD GLU A 9 -2.051 -10.240 -11.442 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -2.307 -10.590 -12.617 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -2.692 -10.687 -10.479 1.00 0.00 O +ATOM 141 H GLU A 9 0.271 -7.136 -9.720 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.008 -5.941 -10.811 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.200 -7.908 -12.241 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.535 -7.378 -12.131 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -0.086 -9.546 -11.821 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -0.657 -9.274 -10.172 1.00 0.00 H +ATOM 147 N ARG A 10 -2.627 -8.114 -8.474 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.675 -8.540 -7.560 1.00 0.00 C +ATOM 149 C ARG A 10 -4.192 -7.381 -6.754 1.00 0.00 C +ATOM 150 O ARG A 10 -5.383 -7.322 -6.424 1.00 0.00 O +ATOM 151 CB ARG A 10 -3.238 -9.661 -6.645 1.00 0.00 C +ATOM 152 CG ARG A 10 -3.105 -10.998 -7.326 1.00 0.00 C +ATOM 153 CD ARG A 10 -2.803 -12.074 -6.316 1.00 0.00 C +ATOM 154 NE ARG A 10 -3.888 -12.189 -5.326 1.00 0.00 N +ATOM 155 CZ ARG A 10 -3.706 -12.428 -4.030 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -2.502 -12.720 -3.577 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -4.735 -12.398 -3.191 1.00 0.00 N +ATOM 158 H ARG A 10 -1.688 -8.348 -8.272 1.00 0.00 H +ATOM 159 HA ARG A 10 -4.492 -8.888 -8.169 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -2.274 -9.403 -6.231 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.945 -9.756 -5.835 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -4.034 -11.229 -7.826 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -2.304 -10.943 -8.047 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -2.663 -13.018 -6.822 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -1.898 -11.783 -5.805 1.00 0.00 H +ATOM 166 HE ARG A 10 -4.789 -12.028 -5.689 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -1.698 -12.786 -4.174 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -2.329 -12.866 -2.591 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -5.672 -12.207 -3.487 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -4.593 -12.534 -2.197 1.00 0.00 H +ATOM 171 N ALA A 11 -3.302 -6.463 -6.437 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.667 -5.266 -5.714 1.00 0.00 C +ATOM 173 C ALA A 11 -4.613 -4.407 -6.554 1.00 0.00 C +ATOM 174 O ALA A 11 -5.526 -3.813 -6.018 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.432 -4.478 -5.288 1.00 0.00 C +ATOM 176 H ALA A 11 -2.370 -6.611 -6.707 1.00 0.00 H +ATOM 177 HA ALA A 11 -4.200 -5.583 -4.829 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.887 -4.156 -6.162 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.795 -5.101 -4.677 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -2.733 -3.612 -4.716 1.00 0.00 H +ATOM 181 N LEU A 12 -4.414 -4.396 -7.879 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.279 -3.648 -8.790 1.00 0.00 C +ATOM 183 C LEU A 12 -6.665 -4.238 -8.822 1.00 0.00 C +ATOM 184 O LEU A 12 -7.665 -3.512 -8.776 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.709 -3.623 -10.204 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.537 -2.688 -10.462 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.027 -2.881 -11.879 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -3.966 -1.233 -10.255 1.00 0.00 C +ATOM 189 H LEU A 12 -3.667 -4.906 -8.260 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.345 -2.635 -8.425 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.392 -4.626 -10.448 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.512 -3.354 -10.870 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.738 -2.911 -9.771 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -2.681 -3.896 -12.003 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.217 -2.193 -12.071 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -3.830 -2.690 -12.576 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -3.130 -0.580 -10.457 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -4.294 -1.081 -9.237 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.776 -0.992 -10.926 1.00 0.00 H +ATOM 200 N LYS A 13 -6.718 -5.554 -8.882 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.974 -6.277 -8.903 1.00 0.00 C +ATOM 202 C LYS A 13 -8.781 -5.969 -7.649 1.00 0.00 C +ATOM 203 O LYS A 13 -9.978 -5.684 -7.732 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.699 -7.771 -8.994 1.00 0.00 C +ATOM 205 CG LYS A 13 -7.041 -8.211 -10.290 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.492 -9.612 -10.148 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.889 -10.130 -11.435 1.00 0.00 C +ATOM 208 NZ LYS A 13 -5.170 -11.407 -11.223 1.00 0.00 N +ATOM 209 H LYS A 13 -5.872 -6.048 -8.930 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.532 -5.970 -9.775 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -7.053 -8.055 -8.176 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.637 -8.297 -8.899 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.771 -8.190 -11.085 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -6.230 -7.534 -10.518 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.719 -9.591 -9.396 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -7.291 -10.268 -9.835 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -6.678 -10.282 -12.156 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -5.195 -9.392 -11.806 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -5.724 -12.090 -10.666 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -4.251 -11.236 -10.752 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -4.936 -11.851 -12.132 1.00 0.00 H +ATOM 222 N GLU A 14 -8.108 -5.979 -6.498 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.731 -5.641 -5.242 1.00 0.00 C +ATOM 224 C GLU A 14 -9.083 -4.165 -5.150 1.00 0.00 C +ATOM 225 O GLU A 14 -10.113 -3.818 -4.636 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.867 -6.078 -4.086 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.751 -7.578 -4.005 1.00 0.00 C +ATOM 228 CD GLU A 14 -9.090 -8.242 -3.737 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -9.470 -8.416 -2.552 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -9.783 -8.605 -4.693 1.00 0.00 O +ATOM 231 H GLU A 14 -7.164 -6.254 -6.471 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.644 -6.214 -5.207 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.880 -5.658 -4.205 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.303 -5.721 -3.165 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -7.387 -7.917 -4.964 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -7.035 -7.845 -3.248 1.00 0.00 H +ATOM 237 N TRP A 15 -8.236 -3.321 -5.679 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.445 -1.870 -5.692 1.00 0.00 C +ATOM 239 C TRP A 15 -9.735 -1.527 -6.461 1.00 0.00 C +ATOM 240 O TRP A 15 -10.546 -0.690 -6.033 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.212 -1.213 -6.338 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.252 0.270 -6.474 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.579 0.969 -7.590 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.922 1.236 -5.476 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.499 2.313 -7.347 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.091 2.506 -6.057 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.508 1.152 -4.148 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.857 3.679 -5.356 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.275 2.318 -3.456 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.449 3.564 -4.058 1.00 0.00 C +ATOM 251 H TRP A 15 -7.404 -3.669 -6.071 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.539 -1.529 -4.669 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.342 -1.456 -5.745 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.079 -1.636 -7.322 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -7.869 0.506 -8.521 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.699 3.015 -8.002 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.367 0.196 -3.666 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.988 4.650 -5.811 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.952 2.278 -2.426 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.252 4.451 -3.473 1.00 0.00 H +ATOM 261 N ARG A 16 -9.930 -2.193 -7.575 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.129 -2.022 -8.380 1.00 0.00 C +ATOM 263 C ARG A 16 -12.335 -2.714 -7.729 1.00 0.00 C +ATOM 264 O ARG A 16 -13.479 -2.338 -7.956 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.884 -2.526 -9.793 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.849 -1.702 -10.536 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.541 -2.269 -11.904 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.609 -1.405 -12.643 1.00 0.00 N +ATOM 269 CZ ARG A 16 -8.074 -1.686 -13.832 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -8.211 -2.894 -14.355 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -7.347 -0.774 -14.469 1.00 0.00 N +ATOM 272 H ARG A 16 -9.225 -2.809 -7.877 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.332 -0.962 -8.417 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.543 -3.550 -9.747 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.814 -2.484 -10.341 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.223 -0.695 -10.656 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.942 -1.677 -9.953 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.093 -3.244 -11.781 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -10.458 -2.359 -12.467 1.00 0.00 H +ATOM 280 HE ARG A 16 -8.425 -0.542 -12.201 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.700 -3.630 -13.882 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -7.828 -3.128 -15.252 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -7.177 0.137 -14.083 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -6.946 -0.976 -15.368 1.00 0.00 H +ATOM 285 N LYS A 17 -12.050 -3.698 -6.913 1.00 0.00 N +ATOM 286 CA LYS A 17 -13.043 -4.451 -6.150 1.00 0.00 C +ATOM 287 C LYS A 17 -13.512 -3.660 -4.914 1.00 0.00 C +ATOM 288 O LYS A 17 -14.655 -3.816 -4.455 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.436 -5.854 -5.828 1.00 0.00 C +ATOM 290 CG LYS A 17 -12.958 -6.647 -4.625 1.00 0.00 C +ATOM 291 CD LYS A 17 -12.346 -6.156 -3.312 1.00 0.00 C +ATOM 292 CE LYS A 17 -12.753 -7.015 -2.133 1.00 0.00 C +ATOM 293 NZ LYS A 17 -12.271 -8.413 -2.263 1.00 0.00 N +ATOM 294 H LYS A 17 -11.105 -3.945 -6.818 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.900 -4.586 -6.795 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -12.570 -6.480 -6.695 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.376 -5.703 -5.701 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -14.030 -6.543 -4.573 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -12.702 -7.686 -4.763 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -11.270 -6.180 -3.397 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -12.672 -5.140 -3.140 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -12.343 -6.584 -1.232 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -13.831 -7.017 -2.071 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -12.711 -8.876 -3.083 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -12.564 -8.957 -1.424 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -11.232 -8.452 -2.362 1.00 0.00 H +ATOM 307 N LEU A 18 -12.626 -2.830 -4.389 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.909 -1.953 -3.258 1.00 0.00 C +ATOM 309 C LEU A 18 -13.977 -0.937 -3.603 1.00 0.00 C +ATOM 310 O LEU A 18 -14.245 -0.662 -4.786 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.641 -1.206 -2.812 1.00 0.00 C +ATOM 312 CG LEU A 18 -10.944 -1.677 -1.525 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.514 -3.128 -1.600 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.760 -0.785 -1.239 1.00 0.00 C +ATOM 315 H LEU A 18 -11.720 -2.824 -4.770 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.252 -2.561 -2.435 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.926 -1.268 -3.617 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.904 -0.166 -2.689 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.621 -1.587 -0.691 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -9.828 -3.257 -2.424 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -11.386 -3.747 -1.750 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.027 -3.404 -0.677 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.268 -1.111 -0.335 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -10.110 0.230 -1.116 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.068 -0.827 -2.067 1.00 0.00 H +ATOM 326 N GLY A 19 -14.563 -0.379 -2.588 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.569 0.609 -2.769 1.00 0.00 C +ATOM 328 C GLY A 19 -14.952 1.905 -3.185 1.00 0.00 C +ATOM 329 O GLY A 19 -13.842 2.237 -2.731 1.00 0.00 O +ATOM 330 H GLY A 19 -14.286 -0.627 -1.681 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.260 0.279 -3.529 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.093 0.755 -1.836 1.00 0.00 H +ATOM 333 N SER A 20 -15.655 2.635 -4.022 1.00 0.00 N +ATOM 334 CA SER A 20 -15.200 3.894 -4.587 1.00 0.00 C +ATOM 335 C SER A 20 -14.728 4.855 -3.494 1.00 0.00 C +ATOM 336 O SER A 20 -13.643 5.405 -3.567 1.00 0.00 O +ATOM 337 CB SER A 20 -16.360 4.506 -5.346 1.00 0.00 C +ATOM 338 OG SER A 20 -16.920 3.560 -6.252 1.00 0.00 O +ATOM 339 H SER A 20 -16.548 2.326 -4.291 1.00 0.00 H +ATOM 340 HA SER A 20 -14.399 3.698 -5.284 1.00 0.00 H +ATOM 341 HB2 SER A 20 -17.123 4.808 -4.642 1.00 0.00 H +ATOM 342 HB3 SER A 20 -16.025 5.369 -5.901 1.00 0.00 H +ATOM 343 HG SER A 20 -17.492 4.082 -6.830 1.00 0.00 H +ATOM 344 N THR A 21 -15.529 4.964 -2.466 1.00 0.00 N +ATOM 345 CA THR A 21 -15.292 5.842 -1.349 1.00 0.00 C +ATOM 346 C THR A 21 -13.997 5.440 -0.624 1.00 0.00 C +ATOM 347 O THR A 21 -13.126 6.269 -0.376 1.00 0.00 O +ATOM 348 CB THR A 21 -16.471 5.702 -0.376 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.697 5.680 -1.133 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.516 6.851 0.618 1.00 0.00 C +ATOM 351 H THR A 21 -16.338 4.416 -2.453 1.00 0.00 H +ATOM 352 HA THR A 21 -15.243 6.865 -1.687 1.00 0.00 H +ATOM 353 HB THR A 21 -16.353 4.768 0.152 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.991 6.591 -1.259 1.00 0.00 H +ATOM 355 HG21 THR A 21 -17.348 6.710 1.291 1.00 0.00 H +ATOM 356 HG22 THR A 21 -16.643 7.780 0.083 1.00 0.00 H +ATOM 357 HG23 THR A 21 -15.595 6.878 1.181 1.00 0.00 H +ATOM 358 N VAL A 22 -13.860 4.146 -0.378 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.745 3.612 0.379 1.00 0.00 C +ATOM 360 C VAL A 22 -11.443 3.812 -0.371 1.00 0.00 C +ATOM 361 O VAL A 22 -10.464 4.322 0.187 1.00 0.00 O +ATOM 362 CB VAL A 22 -12.961 2.105 0.699 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -11.753 1.507 1.403 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.205 1.927 1.557 1.00 0.00 C +ATOM 365 H VAL A 22 -14.514 3.524 -0.756 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.692 4.155 1.311 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.115 1.577 -0.231 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -11.585 2.029 2.333 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -10.883 1.608 0.772 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -11.931 0.461 1.605 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -15.071 2.274 1.013 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -14.095 2.503 2.463 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.328 0.885 1.813 1.00 0.00 H +ATOM 374 N ARG A 23 -11.447 3.475 -1.644 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.261 3.633 -2.448 1.00 0.00 C +ATOM 376 C ARG A 23 -9.896 5.096 -2.647 1.00 0.00 C +ATOM 377 O ARG A 23 -8.717 5.428 -2.704 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.323 2.889 -3.767 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.501 3.224 -4.633 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.263 2.722 -6.026 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.378 3.029 -6.917 1.00 0.00 N +ATOM 382 CZ ARG A 23 -13.075 2.115 -7.612 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.842 0.803 -7.444 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -14.013 2.516 -8.456 1.00 0.00 N +ATOM 385 H ARG A 23 -12.274 3.113 -2.033 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.465 3.207 -1.854 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.426 3.108 -4.327 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.348 1.829 -3.559 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.348 2.692 -4.222 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.732 4.279 -4.629 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.371 3.217 -6.382 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -11.098 1.656 -5.994 1.00 0.00 H +ATOM 393 HE ARG A 23 -12.569 3.989 -7.008 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -12.155 0.440 -6.807 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -13.359 0.121 -7.974 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -14.236 3.482 -8.613 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -14.548 1.865 -8.999 1.00 0.00 H +ATOM 398 N GLU A 24 -10.900 5.973 -2.757 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.629 7.391 -2.885 1.00 0.00 C +ATOM 400 C GLU A 24 -9.860 7.932 -1.700 1.00 0.00 C +ATOM 401 O GLU A 24 -8.947 8.727 -1.874 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.874 8.221 -3.178 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.331 8.116 -4.623 1.00 0.00 C +ATOM 404 CD GLU A 24 -13.490 9.022 -4.942 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -13.266 10.237 -5.183 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -14.646 8.545 -4.955 1.00 0.00 O +ATOM 407 H GLU A 24 -11.834 5.664 -2.761 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.968 7.460 -3.737 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.672 7.855 -2.545 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.679 9.259 -2.952 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -11.505 8.379 -5.267 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.623 7.094 -4.814 1.00 0.00 H +ATOM 413 N GLN A 25 -10.181 7.476 -0.500 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.422 7.912 0.655 1.00 0.00 C +ATOM 415 C GLN A 25 -8.015 7.344 0.622 1.00 0.00 C +ATOM 416 O GLN A 25 -7.046 8.039 0.926 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.102 7.590 1.984 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.125 8.618 2.461 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.345 8.753 1.583 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -12.375 9.535 0.631 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.378 8.036 1.916 1.00 0.00 N +ATOM 422 H GLN A 25 -10.920 6.836 -0.395 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.334 8.983 0.558 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.607 6.640 1.886 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.331 7.506 2.737 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.458 8.322 3.444 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -10.631 9.573 2.535 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.318 7.453 2.704 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -14.185 8.097 1.364 1.00 0.00 H +ATOM 430 N LEU A 26 -7.906 6.104 0.203 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.625 5.436 0.115 1.00 0.00 C +ATOM 432 C LEU A 26 -5.698 6.121 -0.892 1.00 0.00 C +ATOM 433 O LEU A 26 -4.523 6.338 -0.601 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.800 3.959 -0.237 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.565 3.086 0.781 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.600 1.647 0.322 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.951 3.188 2.174 1.00 0.00 C +ATOM 438 H LEU A 26 -8.719 5.615 -0.047 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.161 5.505 1.088 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.334 3.917 -1.175 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.819 3.539 -0.393 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.595 3.410 0.835 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.089 1.586 -0.639 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.144 1.054 1.041 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -6.591 1.271 0.234 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -7.014 4.206 2.528 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -5.915 2.884 2.131 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -7.486 2.539 2.851 1.00 0.00 H +ATOM 449 N LYS A 27 -6.232 6.487 -2.055 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.426 7.144 -3.090 1.00 0.00 C +ATOM 451 C LYS A 27 -4.915 8.504 -2.631 1.00 0.00 C +ATOM 452 O LYS A 27 -3.816 8.932 -3.025 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.188 7.300 -4.387 1.00 0.00 C +ATOM 454 CG LYS A 27 -7.246 8.386 -4.389 1.00 0.00 C +ATOM 455 CD LYS A 27 -7.728 8.709 -5.785 1.00 0.00 C +ATOM 456 CE LYS A 27 -6.605 9.325 -6.607 1.00 0.00 C +ATOM 457 NZ LYS A 27 -7.055 9.712 -7.954 1.00 0.00 N +ATOM 458 H LYS A 27 -7.173 6.251 -2.230 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.568 6.513 -3.265 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -5.518 7.410 -5.223 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -6.718 6.366 -4.453 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -8.071 8.062 -3.775 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -6.804 9.267 -3.947 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -8.061 7.800 -6.263 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -8.547 9.412 -5.722 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -6.227 10.182 -6.069 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -5.800 8.613 -6.690 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -7.420 8.883 -8.465 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -6.269 10.102 -8.509 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -7.815 10.422 -7.920 1.00 0.00 H +ATOM 471 N LYS A 28 -5.728 9.185 -1.829 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.336 10.477 -1.225 1.00 0.00 C +ATOM 473 C LYS A 28 -4.097 10.272 -0.401 1.00 0.00 C +ATOM 474 O LYS A 28 -3.144 11.037 -0.477 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.421 11.024 -0.304 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.732 11.305 -0.964 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.790 11.630 0.074 1.00 0.00 C +ATOM 478 CE LYS A 28 -10.178 11.672 -0.534 1.00 0.00 C +ATOM 479 NZ LYS A 28 -10.334 12.760 -1.511 1.00 0.00 N +ATOM 480 H LYS A 28 -6.617 8.780 -1.702 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.137 11.185 -2.017 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.601 10.306 0.484 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.059 11.938 0.139 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.598 12.145 -1.630 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -8.029 10.433 -1.529 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -8.764 10.887 0.857 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.563 12.595 0.502 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -10.343 10.730 -1.035 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.899 11.788 0.261 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -9.629 12.663 -2.267 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -10.217 13.687 -1.056 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -11.277 12.726 -1.947 1.00 0.00 H +ATOM 493 N LYS A 29 -4.107 9.193 0.355 1.00 0.00 N +ATOM 494 CA LYS A 29 -2.992 8.858 1.212 1.00 0.00 C +ATOM 495 C LYS A 29 -1.768 8.511 0.422 1.00 0.00 C +ATOM 496 O LYS A 29 -0.666 8.838 0.826 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.316 7.780 2.242 1.00 0.00 C +ATOM 498 CG LYS A 29 -3.939 8.295 3.540 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.300 8.923 3.346 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.838 9.452 4.657 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.994 10.540 5.192 1.00 0.00 N +ATOM 502 H LYS A 29 -4.895 8.610 0.284 1.00 0.00 H +ATOM 503 HA LYS A 29 -2.749 9.765 1.743 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.004 7.075 1.800 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.400 7.264 2.491 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.044 7.475 4.234 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.274 9.032 3.964 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -5.216 9.737 2.640 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -5.981 8.180 2.958 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.847 9.806 4.514 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.844 8.635 5.362 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -4.034 10.197 5.394 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -5.385 10.921 6.077 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.908 11.311 4.499 1.00 0.00 H +ATOM 515 N LEU A 30 -1.969 7.883 -0.718 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.877 7.517 -1.596 1.00 0.00 C +ATOM 517 C LEU A 30 -0.141 8.759 -2.077 1.00 0.00 C +ATOM 518 O LEU A 30 1.077 8.840 -1.974 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.395 6.742 -2.815 1.00 0.00 C +ATOM 520 CG LEU A 30 -2.177 5.460 -2.533 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.624 4.811 -3.827 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.345 4.496 -1.718 1.00 0.00 C +ATOM 523 H LEU A 30 -2.891 7.647 -0.962 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.193 6.885 -1.048 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.041 7.403 -3.374 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.547 6.490 -3.434 1.00 0.00 H +ATOM 527 HG LEU A 30 -3.063 5.710 -1.967 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -1.759 4.554 -4.419 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -3.240 5.499 -4.386 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -3.185 3.915 -3.608 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -1.904 3.587 -1.549 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -1.122 4.962 -0.769 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.425 4.275 -2.237 1.00 0.00 H +ATOM 534 N VAL A 31 -0.892 9.749 -2.537 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.291 10.946 -3.092 1.00 0.00 C +ATOM 536 C VAL A 31 0.411 11.798 -2.011 1.00 0.00 C +ATOM 537 O VAL A 31 1.517 12.318 -2.238 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.290 11.788 -3.967 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -2.422 12.409 -3.165 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -0.562 12.834 -4.790 1.00 0.00 C +ATOM 541 H VAL A 31 -1.871 9.668 -2.488 1.00 0.00 H +ATOM 542 HA VAL A 31 0.499 10.582 -3.736 1.00 0.00 H +ATOM 543 HB VAL A 31 -1.759 11.100 -4.656 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -3.069 12.966 -3.826 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -2.009 13.071 -2.419 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -2.989 11.628 -2.679 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -1.283 13.389 -5.373 1.00 0.00 H +ATOM 548 HG22 VAL A 31 0.141 12.350 -5.450 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -0.035 13.508 -4.132 1.00 0.00 H +ATOM 550 N GLU A 32 -0.212 11.923 -0.838 1.00 0.00 N +ATOM 551 CA GLU A 32 0.399 12.666 0.258 1.00 0.00 C +ATOM 552 C GLU A 32 1.644 11.947 0.831 1.00 0.00 C +ATOM 553 O GLU A 32 2.696 12.569 1.040 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.642 13.030 1.356 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.411 11.848 1.922 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.517 12.232 2.899 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -3.361 13.082 2.566 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -2.599 11.636 4.008 1.00 0.00 O +ATOM 559 H GLU A 32 -1.108 11.533 -0.713 1.00 0.00 H +ATOM 560 HA GLU A 32 0.758 13.583 -0.187 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.144 13.533 2.171 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.357 13.707 0.913 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -1.861 11.343 1.081 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.715 11.182 2.410 1.00 0.00 H +ATOM 565 N VAL A 33 1.551 10.633 1.007 1.00 0.00 N +ATOM 566 CA VAL A 33 2.633 9.873 1.616 1.00 0.00 C +ATOM 567 C VAL A 33 3.896 9.864 0.740 1.00 0.00 C +ATOM 568 O VAL A 33 4.993 9.838 1.254 1.00 0.00 O +ATOM 569 CB VAL A 33 2.225 8.430 2.048 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.142 7.452 0.876 1.00 0.00 C +ATOM 571 CG2 VAL A 33 3.145 7.916 3.143 1.00 0.00 C +ATOM 572 H VAL A 33 0.737 10.158 0.729 1.00 0.00 H +ATOM 573 HA VAL A 33 2.898 10.430 2.503 1.00 0.00 H +ATOM 574 HB VAL A 33 1.230 8.500 2.463 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.407 7.807 0.168 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.854 6.477 1.239 1.00 0.00 H +ATOM 577 HG13 VAL A 33 3.106 7.388 0.392 1.00 0.00 H +ATOM 578 HG21 VAL A 33 4.154 7.888 2.761 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.841 6.922 3.435 1.00 0.00 H +ATOM 580 HG23 VAL A 33 3.101 8.575 3.998 1.00 0.00 H +ATOM 581 N LEU A 34 3.716 9.924 -0.578 1.00 0.00 N +ATOM 582 CA LEU A 34 4.824 9.904 -1.547 1.00 0.00 C +ATOM 583 C LEU A 34 5.874 10.978 -1.308 1.00 0.00 C +ATOM 584 O LEU A 34 7.030 10.787 -1.685 1.00 0.00 O +ATOM 585 CB LEU A 34 4.316 10.037 -2.982 1.00 0.00 C +ATOM 586 CG LEU A 34 3.631 8.822 -3.590 1.00 0.00 C +ATOM 587 CD1 LEU A 34 3.078 9.182 -4.952 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.618 7.672 -3.717 1.00 0.00 C +ATOM 589 H LEU A 34 2.799 9.968 -0.920 1.00 0.00 H +ATOM 590 HA LEU A 34 5.310 8.945 -1.462 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.616 10.858 -3.006 1.00 0.00 H +ATOM 592 HB3 LEU A 34 5.159 10.299 -3.608 1.00 0.00 H +ATOM 593 HG LEU A 34 2.814 8.507 -2.957 1.00 0.00 H +ATOM 594 HD11 LEU A 34 2.397 10.013 -4.860 1.00 0.00 H +ATOM 595 HD12 LEU A 34 2.552 8.337 -5.368 1.00 0.00 H +ATOM 596 HD13 LEU A 34 3.895 9.461 -5.600 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.144 6.836 -4.207 1.00 0.00 H +ATOM 598 HD22 LEU A 34 4.949 7.367 -2.736 1.00 0.00 H +ATOM 599 HD23 LEU A 34 5.467 7.997 -4.300 1.00 0.00 H +ATOM 600 N GLU A 35 5.502 12.096 -0.686 1.00 0.00 N +ATOM 601 CA GLU A 35 6.478 13.157 -0.496 1.00 0.00 C +ATOM 602 C GLU A 35 7.412 12.857 0.684 1.00 0.00 C +ATOM 603 O GLU A 35 8.483 13.461 0.816 1.00 0.00 O +ATOM 604 CB GLU A 35 5.812 14.513 -0.304 1.00 0.00 C +ATOM 605 CG GLU A 35 5.022 14.647 0.981 1.00 0.00 C +ATOM 606 CD GLU A 35 4.522 16.033 1.173 1.00 0.00 C +ATOM 607 OE1 GLU A 35 5.357 16.944 1.397 1.00 0.00 O +ATOM 608 OE2 GLU A 35 3.297 16.267 1.061 1.00 0.00 O +ATOM 609 H GLU A 35 4.583 12.197 -0.348 1.00 0.00 H +ATOM 610 HA GLU A 35 7.077 13.188 -1.395 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.575 15.278 -0.310 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.142 14.689 -1.131 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.179 13.973 0.949 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.661 14.386 1.812 1.00 0.00 H +ATOM 615 N SER A 36 6.994 11.959 1.552 1.00 0.00 N +ATOM 616 CA SER A 36 7.765 11.567 2.719 1.00 0.00 C +ATOM 617 C SER A 36 7.327 10.179 3.200 1.00 0.00 C +ATOM 618 O SER A 36 6.746 10.049 4.260 1.00 0.00 O +ATOM 619 CB SER A 36 7.589 12.600 3.849 1.00 0.00 C +ATOM 620 OG SER A 36 8.035 13.908 3.444 1.00 0.00 O +ATOM 621 H SER A 36 6.135 11.507 1.400 1.00 0.00 H +ATOM 622 HA SER A 36 8.807 11.516 2.453 1.00 0.00 H +ATOM 623 HB2 SER A 36 6.543 12.655 4.115 1.00 0.00 H +ATOM 624 HB3 SER A 36 8.158 12.286 4.711 1.00 0.00 H +ATOM 625 HG SER A 36 8.402 13.775 2.554 1.00 0.00 H +ATOM 626 N PRO A 37 7.586 9.112 2.419 1.00 0.00 N +ATOM 627 CA PRO A 37 7.122 7.764 2.762 1.00 0.00 C +ATOM 628 C PRO A 37 7.924 7.089 3.874 1.00 0.00 C +ATOM 629 O PRO A 37 7.603 5.993 4.277 1.00 0.00 O +ATOM 630 CB PRO A 37 7.261 7.000 1.451 1.00 0.00 C +ATOM 631 CG PRO A 37 8.392 7.665 0.763 1.00 0.00 C +ATOM 632 CD PRO A 37 8.285 9.126 1.110 1.00 0.00 C +ATOM 633 HA PRO A 37 6.084 7.779 3.055 1.00 0.00 H +ATOM 634 HB2 PRO A 37 7.469 5.962 1.662 1.00 0.00 H +ATOM 635 HB3 PRO A 37 6.348 7.082 0.880 1.00 0.00 H +ATOM 636 HG2 PRO A 37 9.328 7.261 1.121 1.00 0.00 H +ATOM 637 HG3 PRO A 37 8.307 7.527 -0.305 1.00 0.00 H +ATOM 638 HD2 PRO A 37 9.260 9.583 1.190 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.675 9.633 0.373 1.00 0.00 H +ATOM 640 N ARG A 38 8.927 7.772 4.388 1.00 0.00 N +ATOM 641 CA ARG A 38 9.799 7.246 5.452 1.00 0.00 C +ATOM 642 C ARG A 38 9.172 7.305 6.858 1.00 0.00 C +ATOM 643 O ARG A 38 9.892 7.299 7.856 1.00 0.00 O +ATOM 644 CB ARG A 38 11.166 7.977 5.445 1.00 0.00 C +ATOM 645 CG ARG A 38 11.148 9.519 5.261 1.00 0.00 C +ATOM 646 CD ARG A 38 10.275 10.298 6.264 1.00 0.00 C +ATOM 647 NE ARG A 38 10.544 9.990 7.684 1.00 0.00 N +ATOM 648 CZ ARG A 38 10.419 10.860 8.690 1.00 0.00 C +ATOM 649 NH1 ARG A 38 10.386 12.177 8.442 1.00 0.00 N +ATOM 650 NH2 ARG A 38 10.362 10.422 9.943 1.00 0.00 N +ATOM 651 H ARG A 38 9.090 8.666 4.029 1.00 0.00 H +ATOM 652 HA ARG A 38 9.984 6.209 5.216 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.646 7.780 6.391 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.774 7.552 4.660 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.158 9.887 5.334 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.791 9.722 4.262 1.00 0.00 H +ATOM 657 HD2 ARG A 38 10.446 11.353 6.114 1.00 0.00 H +ATOM 658 HD3 ARG A 38 9.239 10.080 6.050 1.00 0.00 H +ATOM 659 HE ARG A 38 10.717 9.038 7.892 1.00 0.00 H +ATOM 660 HH11 ARG A 38 10.454 12.554 7.515 1.00 0.00 H +ATOM 661 HH12 ARG A 38 10.300 12.845 9.186 1.00 0.00 H +ATOM 662 HH21 ARG A 38 10.401 9.438 10.178 1.00 0.00 H +ATOM 663 HH22 ARG A 38 10.261 11.040 10.727 1.00 0.00 H +ATOM 664 N ILE A 39 7.875 7.294 6.936 1.00 0.00 N +ATOM 665 CA ILE A 39 7.189 7.471 8.197 1.00 0.00 C +ATOM 666 C ILE A 39 7.131 6.152 8.957 1.00 0.00 C +ATOM 667 O ILE A 39 6.305 5.277 8.675 1.00 0.00 O +ATOM 668 CB ILE A 39 5.772 8.072 7.968 1.00 0.00 C +ATOM 669 CG1 ILE A 39 5.936 9.437 7.288 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.003 8.214 9.287 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.648 10.100 6.841 1.00 0.00 C +ATOM 672 H ILE A 39 7.364 7.121 6.118 1.00 0.00 H +ATOM 673 HA ILE A 39 7.769 8.171 8.781 1.00 0.00 H +ATOM 674 HB ILE A 39 5.217 7.425 7.304 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.419 10.097 7.993 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.578 9.324 6.426 1.00 0.00 H +ATOM 677 HG21 ILE A 39 4.013 8.595 9.082 1.00 0.00 H +ATOM 678 HG22 ILE A 39 5.520 8.906 9.934 1.00 0.00 H +ATOM 679 HG23 ILE A 39 4.930 7.250 9.767 1.00 0.00 H +ATOM 680 HD11 ILE A 39 4.017 10.312 7.691 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.136 9.441 6.154 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.900 11.015 6.325 1.00 0.00 H +ATOM 683 N GLU A 40 8.034 6.026 9.919 1.00 0.00 N +ATOM 684 CA GLU A 40 8.204 4.821 10.720 1.00 0.00 C +ATOM 685 C GLU A 40 6.954 4.428 11.509 1.00 0.00 C +ATOM 686 O GLU A 40 6.804 3.272 11.895 1.00 0.00 O +ATOM 687 CB GLU A 40 9.434 4.902 11.650 1.00 0.00 C +ATOM 688 CG GLU A 40 9.547 6.175 12.484 1.00 0.00 C +ATOM 689 CD GLU A 40 10.237 7.303 11.756 1.00 0.00 C +ATOM 690 OE1 GLU A 40 9.585 8.017 10.988 1.00 0.00 O +ATOM 691 OE2 GLU A 40 11.461 7.493 11.951 1.00 0.00 O +ATOM 692 H GLU A 40 8.631 6.792 10.099 1.00 0.00 H +ATOM 693 HA GLU A 40 8.386 4.028 10.011 1.00 0.00 H +ATOM 694 HB2 GLU A 40 9.399 4.065 12.332 1.00 0.00 H +ATOM 695 HB3 GLU A 40 10.324 4.814 11.045 1.00 0.00 H +ATOM 696 HG2 GLU A 40 8.547 6.510 12.713 1.00 0.00 H +ATOM 697 HG3 GLU A 40 10.081 5.966 13.400 1.00 0.00 H +ATOM 698 N ALA A 41 6.056 5.368 11.724 1.00 0.00 N +ATOM 699 CA ALA A 41 4.812 5.091 12.440 1.00 0.00 C +ATOM 700 C ALA A 41 3.900 4.173 11.614 1.00 0.00 C +ATOM 701 O ALA A 41 3.049 3.457 12.152 1.00 0.00 O +ATOM 702 CB ALA A 41 4.100 6.389 12.771 1.00 0.00 C +ATOM 703 H ALA A 41 6.247 6.276 11.405 1.00 0.00 H +ATOM 704 HA ALA A 41 5.068 4.592 13.363 1.00 0.00 H +ATOM 705 HB1 ALA A 41 4.754 7.022 13.351 1.00 0.00 H +ATOM 706 HB2 ALA A 41 3.209 6.171 13.340 1.00 0.00 H +ATOM 707 HB3 ALA A 41 3.826 6.894 11.857 1.00 0.00 H +ATOM 708 N ASN A 42 4.112 4.169 10.316 1.00 0.00 N +ATOM 709 CA ASN A 42 3.302 3.369 9.404 1.00 0.00 C +ATOM 710 C ASN A 42 4.070 2.149 8.951 1.00 0.00 C +ATOM 711 O ASN A 42 3.552 1.328 8.210 1.00 0.00 O +ATOM 712 CB ASN A 42 2.921 4.188 8.157 1.00 0.00 C +ATOM 713 CG ASN A 42 2.059 5.398 8.446 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.256 5.403 9.370 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.222 6.437 7.659 1.00 0.00 N +ATOM 716 H ASN A 42 4.842 4.712 9.945 1.00 0.00 H +ATOM 717 HA ASN A 42 2.398 3.068 9.910 1.00 0.00 H +ATOM 718 HB2 ASN A 42 3.822 4.536 7.677 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.389 3.544 7.470 1.00 0.00 H +ATOM 720 HD21 ASN A 42 2.879 6.385 6.934 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.673 7.232 7.836 1.00 0.00 H +ATOM 722 N LYS A 43 5.294 2.028 9.411 1.00 0.00 N +ATOM 723 CA LYS A 43 6.186 1.041 8.961 1.00 0.00 C +ATOM 724 C LYS A 43 5.988 -0.278 9.686 1.00 0.00 C +ATOM 725 O LYS A 43 5.764 -0.317 10.905 1.00 0.00 O +ATOM 726 CB LYS A 43 7.577 1.580 9.162 1.00 0.00 C +ATOM 727 CG LYS A 43 8.628 0.849 8.428 1.00 0.00 C +ATOM 728 CD LYS A 43 9.910 1.667 8.387 1.00 0.00 C +ATOM 729 CE LYS A 43 10.899 1.104 7.390 1.00 0.00 C +ATOM 730 NZ LYS A 43 11.977 2.073 7.079 1.00 0.00 N +ATOM 731 H LYS A 43 5.675 2.604 10.100 1.00 0.00 H +ATOM 732 HA LYS A 43 6.041 0.900 7.901 1.00 0.00 H +ATOM 733 HB2 LYS A 43 7.583 2.604 8.823 1.00 0.00 H +ATOM 734 HB3 LYS A 43 7.802 1.547 10.218 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.759 -0.088 8.945 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.227 0.710 7.438 1.00 0.00 H +ATOM 737 HD2 LYS A 43 9.672 2.680 8.103 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.357 1.664 9.370 1.00 0.00 H +ATOM 739 HE2 LYS A 43 11.338 0.203 7.792 1.00 0.00 H +ATOM 740 HE3 LYS A 43 10.367 0.873 6.479 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 11.554 2.986 6.808 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 12.501 1.748 6.236 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.627 2.213 7.877 1.00 0.00 H +ATOM 744 N LEU A 44 6.059 -1.333 8.928 1.00 0.00 N +ATOM 745 CA LEU A 44 5.919 -2.673 9.432 1.00 0.00 C +ATOM 746 C LEU A 44 7.290 -3.207 9.791 1.00 0.00 C +ATOM 747 O LEU A 44 8.198 -3.239 8.948 1.00 0.00 O +ATOM 748 CB LEU A 44 5.281 -3.581 8.383 1.00 0.00 C +ATOM 749 CG LEU A 44 3.892 -3.202 7.868 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.428 -4.216 6.846 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.893 -3.121 8.998 1.00 0.00 C +ATOM 752 H LEU A 44 6.234 -1.189 7.969 1.00 0.00 H +ATOM 753 HA LEU A 44 5.293 -2.646 10.311 1.00 0.00 H +ATOM 754 HB2 LEU A 44 5.941 -3.594 7.529 1.00 0.00 H +ATOM 755 HB3 LEU A 44 5.230 -4.579 8.792 1.00 0.00 H +ATOM 756 HG LEU A 44 3.946 -2.237 7.384 1.00 0.00 H +ATOM 757 HD11 LEU A 44 2.445 -3.941 6.493 1.00 0.00 H +ATOM 758 HD12 LEU A 44 3.385 -5.194 7.303 1.00 0.00 H +ATOM 759 HD13 LEU A 44 4.117 -4.238 6.014 1.00 0.00 H +ATOM 760 HD21 LEU A 44 3.184 -2.347 9.692 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.850 -4.073 9.505 1.00 0.00 H +ATOM 762 HD23 LEU A 44 1.926 -2.890 8.576 1.00 0.00 H +ATOM 763 N ARG A 45 7.436 -3.633 11.004 1.00 0.00 N +ATOM 764 CA ARG A 45 8.703 -4.098 11.500 1.00 0.00 C +ATOM 765 C ARG A 45 8.871 -5.576 11.183 1.00 0.00 C +ATOM 766 O ARG A 45 8.061 -6.403 11.590 1.00 0.00 O +ATOM 767 CB ARG A 45 8.792 -3.833 13.000 1.00 0.00 C +ATOM 768 CG ARG A 45 10.102 -4.244 13.652 1.00 0.00 C +ATOM 769 CD ARG A 45 10.138 -3.784 15.096 1.00 0.00 C +ATOM 770 NE ARG A 45 10.069 -2.323 15.187 1.00 0.00 N +ATOM 771 CZ ARG A 45 9.327 -1.623 16.058 1.00 0.00 C +ATOM 772 NH1 ARG A 45 8.514 -2.248 16.914 1.00 0.00 N +ATOM 773 NH2 ARG A 45 9.377 -0.288 16.044 1.00 0.00 N +ATOM 774 H ARG A 45 6.642 -3.672 11.580 1.00 0.00 H +ATOM 775 HA ARG A 45 9.482 -3.541 10.999 1.00 0.00 H +ATOM 776 HB2 ARG A 45 8.658 -2.775 13.168 1.00 0.00 H +ATOM 777 HB3 ARG A 45 7.989 -4.367 13.488 1.00 0.00 H +ATOM 778 HG2 ARG A 45 10.195 -5.319 13.619 1.00 0.00 H +ATOM 779 HG3 ARG A 45 10.923 -3.791 13.116 1.00 0.00 H +ATOM 780 HD2 ARG A 45 9.301 -4.216 15.621 1.00 0.00 H +ATOM 781 HD3 ARG A 45 11.060 -4.118 15.548 1.00 0.00 H +ATOM 782 HE ARG A 45 10.632 -1.844 14.533 1.00 0.00 H +ATOM 783 HH11 ARG A 45 8.413 -3.245 16.953 1.00 0.00 H +ATOM 784 HH12 ARG A 45 7.960 -1.723 17.566 1.00 0.00 H +ATOM 785 HH21 ARG A 45 9.957 0.222 15.400 1.00 0.00 H +ATOM 786 HH22 ARG A 45 8.828 0.288 16.658 1.00 0.00 H +ATOM 787 N GLY A 46 9.904 -5.895 10.440 1.00 0.00 N +ATOM 788 CA GLY A 46 10.140 -7.273 10.041 1.00 0.00 C +ATOM 789 C GLY A 46 9.741 -7.476 8.602 1.00 0.00 C +ATOM 790 O GLY A 46 9.864 -8.572 8.040 1.00 0.00 O +ATOM 791 H GLY A 46 10.521 -5.190 10.141 1.00 0.00 H +ATOM 792 HA2 GLY A 46 11.187 -7.506 10.165 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.551 -7.929 10.663 1.00 0.00 H +ATOM 794 N MET A 47 9.258 -6.413 8.018 1.00 0.00 N +ATOM 795 CA MET A 47 8.837 -6.376 6.639 1.00 0.00 C +ATOM 796 C MET A 47 9.728 -5.373 5.935 1.00 0.00 C +ATOM 797 O MET A 47 9.915 -4.266 6.458 1.00 0.00 O +ATOM 798 CB MET A 47 7.379 -5.922 6.577 1.00 0.00 C +ATOM 799 CG MET A 47 6.412 -6.852 7.306 1.00 0.00 C +ATOM 800 SD MET A 47 6.138 -8.418 6.457 1.00 0.00 S +ATOM 801 CE MET A 47 5.111 -7.857 5.097 1.00 0.00 C +ATOM 802 H MET A 47 9.200 -5.583 8.538 1.00 0.00 H +ATOM 803 HA MET A 47 8.940 -7.361 6.208 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.329 -4.951 7.046 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.072 -5.826 5.545 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.810 -7.061 8.287 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.465 -6.343 7.408 1.00 0.00 H +ATOM 808 HE1 MET A 47 4.837 -8.703 4.483 1.00 0.00 H +ATOM 809 HE2 MET A 47 5.645 -7.140 4.492 1.00 0.00 H +ATOM 810 HE3 MET A 47 4.214 -7.400 5.489 1.00 0.00 H +ATOM 811 N PRO A 48 10.305 -5.728 4.771 1.00 0.00 N +ATOM 812 CA PRO A 48 11.257 -4.862 4.057 1.00 0.00 C +ATOM 813 C PRO A 48 10.633 -3.545 3.594 1.00 0.00 C +ATOM 814 O PRO A 48 9.944 -3.494 2.560 1.00 0.00 O +ATOM 815 CB PRO A 48 11.708 -5.705 2.858 1.00 0.00 C +ATOM 816 CG PRO A 48 10.634 -6.723 2.680 1.00 0.00 C +ATOM 817 CD PRO A 48 10.071 -6.993 4.048 1.00 0.00 C +ATOM 818 HA PRO A 48 12.107 -4.638 4.684 1.00 0.00 H +ATOM 819 HB2 PRO A 48 11.806 -5.070 1.989 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.658 -6.166 3.079 1.00 0.00 H +ATOM 821 HG2 PRO A 48 9.867 -6.326 2.032 1.00 0.00 H +ATOM 822 HG3 PRO A 48 11.050 -7.628 2.260 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.015 -7.210 3.987 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.598 -7.810 4.517 1.00 0.00 H +ATOM 825 N ASP A 49 10.803 -2.517 4.440 1.00 0.00 N +ATOM 826 CA ASP A 49 10.326 -1.149 4.212 1.00 0.00 C +ATOM 827 C ASP A 49 8.917 -1.083 3.714 1.00 0.00 C +ATOM 828 O ASP A 49 8.608 -0.430 2.712 1.00 0.00 O +ATOM 829 CB ASP A 49 11.307 -0.292 3.398 1.00 0.00 C +ATOM 830 CG ASP A 49 12.429 0.236 4.268 1.00 0.00 C +ATOM 831 OD1 ASP A 49 13.187 -0.564 4.854 1.00 0.00 O +ATOM 832 OD2 ASP A 49 12.530 1.469 4.453 1.00 0.00 O +ATOM 833 H ASP A 49 11.277 -2.722 5.275 1.00 0.00 H +ATOM 834 HA ASP A 49 10.268 -0.719 5.201 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.733 -0.891 2.607 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.780 0.548 2.970 1.00 0.00 H +ATOM 837 N CYS A 50 8.064 -1.784 4.413 1.00 0.00 N +ATOM 838 CA CYS A 50 6.679 -1.810 4.099 1.00 0.00 C +ATOM 839 C CYS A 50 5.959 -0.872 5.038 1.00 0.00 C +ATOM 840 O CYS A 50 6.317 -0.770 6.219 1.00 0.00 O +ATOM 841 CB CYS A 50 6.146 -3.229 4.237 1.00 0.00 C +ATOM 842 SG CYS A 50 7.051 -4.449 3.253 1.00 0.00 S +ATOM 843 H CYS A 50 8.387 -2.304 5.178 1.00 0.00 H +ATOM 844 HA CYS A 50 6.547 -1.479 3.082 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.208 -3.529 5.273 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.113 -3.251 3.923 1.00 0.00 H +ATOM 847 HG CYS A 50 8.180 -3.879 2.840 1.00 0.00 H +ATOM 848 N TYR A 51 4.985 -0.187 4.527 1.00 0.00 N +ATOM 849 CA TYR A 51 4.225 0.776 5.282 1.00 0.00 C +ATOM 850 C TYR A 51 2.762 0.530 5.007 1.00 0.00 C +ATOM 851 O TYR A 51 2.411 -0.032 3.953 1.00 0.00 O +ATOM 852 CB TYR A 51 4.596 2.220 4.880 1.00 0.00 C +ATOM 853 CG TYR A 51 6.068 2.594 5.034 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.003 2.226 4.077 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.515 3.314 6.127 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.334 2.559 4.205 1.00 0.00 C +ATOM 857 CE2 TYR A 51 7.852 3.654 6.259 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.755 3.271 5.292 1.00 0.00 C +ATOM 859 OH TYR A 51 10.093 3.600 5.419 1.00 0.00 O +ATOM 860 H TYR A 51 4.732 -0.340 3.587 1.00 0.00 H +ATOM 861 HA TYR A 51 4.424 0.630 6.334 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.334 2.368 3.842 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.014 2.906 5.478 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.671 1.664 3.216 1.00 0.00 H +ATOM 865 HD2 TYR A 51 5.808 3.612 6.886 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.040 2.257 3.446 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.181 4.217 7.120 1.00 0.00 H +ATOM 868 HH TYR A 51 10.408 3.898 4.555 1.00 0.00 H +ATOM 869 N LYS A 52 1.920 0.918 5.922 1.00 0.00 N +ATOM 870 CA LYS A 52 0.506 0.695 5.786 1.00 0.00 C +ATOM 871 C LYS A 52 -0.305 1.971 5.938 1.00 0.00 C +ATOM 872 O LYS A 52 0.060 2.896 6.683 1.00 0.00 O +ATOM 873 CB LYS A 52 0.014 -0.362 6.786 1.00 0.00 C +ATOM 874 CG LYS A 52 0.386 -0.066 8.232 1.00 0.00 C +ATOM 875 CD LYS A 52 -0.240 -1.061 9.188 1.00 0.00 C +ATOM 876 CE LYS A 52 0.316 -0.891 10.588 1.00 0.00 C +ATOM 877 NZ LYS A 52 -0.316 -1.805 11.549 1.00 0.00 N +ATOM 878 H LYS A 52 2.261 1.366 6.727 1.00 0.00 H +ATOM 879 HA LYS A 52 0.338 0.306 4.792 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -1.063 -0.426 6.721 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.441 -1.318 6.517 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.460 -0.117 8.333 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.046 0.929 8.482 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -1.308 -0.892 9.214 1.00 0.00 H +ATOM 885 HD3 LYS A 52 -0.041 -2.066 8.846 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.378 -1.087 10.566 1.00 0.00 H +ATOM 887 HE3 LYS A 52 0.149 0.128 10.904 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 -0.390 -2.773 11.167 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 -1.273 -1.488 11.802 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 0.233 -1.861 12.430 1.00 0.00 H +ATOM 891 N ILE A 53 -1.386 2.007 5.222 1.00 0.00 N +ATOM 892 CA ILE A 53 -2.359 3.061 5.296 1.00 0.00 C +ATOM 893 C ILE A 53 -3.573 2.479 5.956 1.00 0.00 C +ATOM 894 O ILE A 53 -3.893 1.320 5.712 1.00 0.00 O +ATOM 895 CB ILE A 53 -2.745 3.577 3.888 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -1.514 4.122 3.179 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -3.839 4.648 3.971 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -1.765 4.558 1.759 1.00 0.00 C +ATOM 899 H ILE A 53 -1.538 1.266 4.593 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.965 3.870 5.890 1.00 0.00 H +ATOM 901 HB ILE A 53 -3.134 2.746 3.321 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -1.137 4.973 3.727 1.00 0.00 H +ATOM 903 HG13 ILE A 53 -0.767 3.342 3.170 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -3.487 5.476 4.568 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -4.721 4.230 4.435 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -4.082 4.996 2.977 1.00 0.00 H +ATOM 907 HD11 ILE A 53 -2.063 3.703 1.170 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -0.870 4.998 1.345 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -2.559 5.288 1.748 1.00 0.00 H +ATOM 910 N LYS A 54 -4.222 3.237 6.792 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.375 2.755 7.480 1.00 0.00 C +ATOM 912 C LYS A 54 -6.464 3.801 7.474 1.00 0.00 C +ATOM 913 O LYS A 54 -6.184 4.995 7.616 1.00 0.00 O +ATOM 914 CB LYS A 54 -5.050 2.301 8.925 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.547 3.388 9.872 1.00 0.00 C +ATOM 916 CD LYS A 54 -3.105 3.795 9.624 1.00 0.00 C +ATOM 917 CE LYS A 54 -2.755 4.933 10.537 1.00 0.00 C +ATOM 918 NZ LYS A 54 -1.357 5.388 10.399 1.00 0.00 N +ATOM 919 H LYS A 54 -3.952 4.169 6.936 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.725 1.900 6.929 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.941 1.873 9.357 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.298 1.527 8.873 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -5.168 4.262 9.744 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -4.644 3.040 10.889 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -2.458 2.956 9.829 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -2.992 4.108 8.597 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -3.428 5.730 10.260 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -2.960 4.616 11.547 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -1.125 5.723 9.442 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -0.661 4.666 10.672 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -1.195 6.187 11.046 1.00 0.00 H +ATOM 932 N LEU A 55 -7.685 3.383 7.258 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.798 4.294 7.322 1.00 0.00 C +ATOM 934 C LEU A 55 -9.206 4.553 8.747 1.00 0.00 C +ATOM 935 O LEU A 55 -8.838 3.818 9.649 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.995 3.820 6.497 1.00 0.00 C +ATOM 937 CG LEU A 55 -10.003 4.196 5.019 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -11.282 3.736 4.363 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -9.886 5.683 4.883 1.00 0.00 C +ATOM 940 H LEU A 55 -7.841 2.435 7.047 1.00 0.00 H +ATOM 941 HA LEU A 55 -8.449 5.231 6.919 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -10.035 2.743 6.567 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -10.885 4.218 6.957 1.00 0.00 H +ATOM 944 HG LEU A 55 -9.174 3.746 4.492 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -11.353 2.659 4.405 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -11.295 4.082 3.339 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -12.115 4.176 4.892 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -8.919 6.018 5.224 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -10.659 6.122 5.495 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -10.034 5.949 3.850 1.00 0.00 H +ATOM 951 N ARG A 56 -9.937 5.611 8.958 1.00 0.00 N +ATOM 952 CA ARG A 56 -10.394 5.925 10.288 1.00 0.00 C +ATOM 953 C ARG A 56 -11.836 5.456 10.434 1.00 0.00 C +ATOM 954 O ARG A 56 -12.217 4.859 11.440 1.00 0.00 O +ATOM 955 CB ARG A 56 -10.320 7.436 10.556 1.00 0.00 C +ATOM 956 CG ARG A 56 -8.976 8.105 10.272 1.00 0.00 C +ATOM 957 CD ARG A 56 -7.825 7.469 11.030 1.00 0.00 C +ATOM 958 NE ARG A 56 -6.609 8.296 10.943 1.00 0.00 N +ATOM 959 CZ ARG A 56 -5.499 7.997 10.251 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -5.472 6.951 9.439 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -4.434 8.781 10.340 1.00 0.00 N +ATOM 962 H ARG A 56 -10.175 6.201 8.212 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.772 5.402 10.998 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -11.068 7.931 9.956 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -10.560 7.602 11.596 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -8.767 8.032 9.214 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -9.041 9.148 10.546 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -8.107 7.357 12.066 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -7.620 6.498 10.606 1.00 0.00 H +ATOM 970 HE ARG A 56 -6.640 9.114 11.491 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -6.245 6.328 9.296 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -4.664 6.730 8.887 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -4.446 9.606 10.914 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -3.566 8.587 9.874 1.00 0.00 H +ATOM 975 N SER A 57 -12.609 5.678 9.384 1.00 0.00 N +ATOM 976 CA SER A 57 -14.029 5.377 9.358 1.00 0.00 C +ATOM 977 C SER A 57 -14.288 3.939 8.888 1.00 0.00 C +ATOM 978 O SER A 57 -15.437 3.497 8.785 1.00 0.00 O +ATOM 979 CB SER A 57 -14.733 6.389 8.437 1.00 0.00 C +ATOM 980 OG SER A 57 -16.144 6.251 8.448 1.00 0.00 O +ATOM 981 H SER A 57 -12.214 6.093 8.589 1.00 0.00 H +ATOM 982 HA SER A 57 -14.414 5.498 10.357 1.00 0.00 H +ATOM 983 HB2 SER A 57 -14.488 7.390 8.760 1.00 0.00 H +ATOM 984 HB3 SER A 57 -14.379 6.249 7.427 1.00 0.00 H +ATOM 985 HG SER A 57 -16.379 5.377 8.790 1.00 0.00 H +ATOM 986 N SER A 58 -13.238 3.228 8.598 1.00 0.00 N +ATOM 987 CA SER A 58 -13.327 1.865 8.155 1.00 0.00 C +ATOM 988 C SER A 58 -12.037 1.187 8.567 1.00 0.00 C +ATOM 989 O SER A 58 -11.065 1.876 8.868 1.00 0.00 O +ATOM 990 CB SER A 58 -13.501 1.813 6.624 1.00 0.00 C +ATOM 991 OG SER A 58 -14.609 2.606 6.192 1.00 0.00 O +ATOM 992 H SER A 58 -12.339 3.600 8.716 1.00 0.00 H +ATOM 993 HA SER A 58 -14.166 1.392 8.642 1.00 0.00 H +ATOM 994 HB2 SER A 58 -12.604 2.183 6.150 1.00 0.00 H +ATOM 995 HB3 SER A 58 -13.670 0.789 6.326 1.00 0.00 H +ATOM 996 HG SER A 58 -15.197 2.733 6.953 1.00 0.00 H +ATOM 997 N GLY A 59 -12.008 -0.117 8.568 1.00 0.00 N +ATOM 998 CA GLY A 59 -10.822 -0.828 8.965 1.00 0.00 C +ATOM 999 C GLY A 59 -10.005 -1.272 7.778 1.00 0.00 C +ATOM 1000 O GLY A 59 -9.292 -2.288 7.840 1.00 0.00 O +ATOM 1001 H GLY A 59 -12.800 -0.640 8.306 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.220 -0.185 9.589 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.111 -1.698 9.536 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.080 -0.513 6.708 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.373 -0.849 5.507 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.947 -0.383 5.574 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.657 0.724 6.051 1.00 0.00 O +ATOM 1008 CB TYR A 60 -10.087 -0.338 4.251 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.230 -1.232 3.793 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.426 -1.305 4.495 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.093 -2.020 2.655 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.450 -2.136 4.074 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.108 -2.852 2.230 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.282 -2.907 2.939 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.298 -3.742 2.516 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.582 0.328 6.742 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.353 -1.927 5.469 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.496 0.641 4.458 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.373 -0.260 3.445 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.550 -0.698 5.380 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.170 -1.978 2.097 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.374 -2.180 4.632 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -11.977 -3.455 1.344 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.111 -3.228 2.573 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.071 -1.244 5.140 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.654 -1.015 5.146 1.00 0.00 C +ATOM 1027 C ARG A 61 -5.082 -1.280 3.782 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.588 -2.120 3.025 1.00 0.00 O +ATOM 1029 CB ARG A 61 -4.905 -1.901 6.167 1.00 0.00 C +ATOM 1030 CG ARG A 61 -4.828 -1.399 7.615 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.172 -1.305 8.299 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.017 -1.047 9.732 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -6.848 -1.476 10.687 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -7.970 -2.126 10.367 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -6.566 -1.238 11.960 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.396 -2.080 4.730 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.486 0.021 5.404 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.389 -2.867 6.192 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -3.896 -2.041 5.805 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.207 -2.075 8.183 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -4.365 -0.423 7.612 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -6.733 -0.496 7.854 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.706 -2.234 8.162 1.00 0.00 H +ATOM 1044 HE ARG A 61 -5.213 -0.536 9.977 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -8.230 -2.309 9.415 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -8.602 -2.454 11.075 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -5.748 -0.739 12.256 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -7.162 -1.569 12.695 1.00 0.00 H +ATOM 1049 N LEU A 62 -4.050 -0.579 3.478 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.328 -0.745 2.256 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.868 -0.872 2.638 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.351 -0.023 3.355 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.605 0.468 1.326 1.00 0.00 C +ATOM 1054 CG LEU A 62 -3.020 0.446 -0.103 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.717 1.484 -0.958 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.541 0.755 -0.099 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.744 0.098 4.123 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.660 -1.659 1.786 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.676 0.575 1.237 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.229 1.350 1.822 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.173 -0.532 -0.536 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -4.768 1.247 -1.019 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.282 1.478 -1.946 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.589 2.460 -0.515 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.396 1.735 0.330 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.173 0.749 -1.113 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.014 0.020 0.490 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.228 -1.931 2.211 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.151 -2.183 2.572 1.00 0.00 C +ATOM 1070 C VAL A 63 1.016 -2.122 1.321 1.00 0.00 C +ATOM 1071 O VAL A 63 0.722 -2.786 0.310 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.321 -3.568 3.271 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.754 -3.775 3.747 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.641 -3.704 4.443 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.673 -2.562 1.600 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.462 -1.403 3.251 1.00 0.00 H +ATOM 1077 HB VAL A 63 0.090 -4.339 2.552 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.437 -3.705 2.912 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 1.837 -4.747 4.208 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 2.004 -3.027 4.486 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.438 -2.927 5.165 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.515 -4.670 4.909 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -1.656 -3.604 4.088 1.00 0.00 H +ATOM 1084 N TYR A 64 2.050 -1.334 1.380 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.935 -1.140 0.258 1.00 0.00 C +ATOM 1086 C TYR A 64 4.377 -1.178 0.715 1.00 0.00 C +ATOM 1087 O TYR A 64 4.654 -0.976 1.896 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.633 0.206 -0.445 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.719 1.442 0.442 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 3.941 1.960 0.863 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.576 2.090 0.846 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.003 3.076 1.657 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.633 3.205 1.641 1.00 0.00 C +ATOM 1094 CZ TYR A 64 2.845 3.693 2.044 1.00 0.00 C +ATOM 1095 OH TYR A 64 2.899 4.798 2.848 1.00 0.00 O +ATOM 1096 H TYR A 64 2.253 -0.869 2.223 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.760 -1.940 -0.447 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.318 0.349 -1.268 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.628 0.160 -0.840 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.853 1.469 0.555 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.620 1.703 0.530 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 4.961 3.462 1.974 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.721 3.700 1.937 1.00 0.00 H +ATOM 1104 HH TYR A 64 3.598 5.371 2.522 1.00 0.00 H +ATOM 1105 N GLN A 65 5.273 -1.446 -0.190 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.679 -1.400 0.117 1.00 0.00 C +ATOM 1107 C GLN A 65 7.315 -0.266 -0.635 1.00 0.00 C +ATOM 1108 O GLN A 65 6.970 0.003 -1.794 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.405 -2.721 -0.196 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.322 -3.171 -1.654 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.093 -4.451 -1.941 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.719 -5.227 -2.823 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.180 -4.676 -1.233 1.00 0.00 N +ATOM 1114 H GLN A 65 4.985 -1.661 -1.107 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.773 -1.186 1.170 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.448 -2.585 0.047 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 7.003 -3.496 0.436 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.286 -3.335 -1.908 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.716 -2.383 -2.279 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.462 -4.026 -0.557 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.674 -5.503 -1.420 1.00 0.00 H +ATOM 1122 N VAL A 66 8.195 0.419 0.009 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.909 1.478 -0.622 1.00 0.00 C +ATOM 1124 C VAL A 66 10.196 0.916 -1.163 1.00 0.00 C +ATOM 1125 O VAL A 66 11.071 0.495 -0.405 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.194 2.639 0.366 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 10.077 3.707 -0.268 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.888 3.259 0.823 1.00 0.00 C +ATOM 1129 H VAL A 66 8.393 0.191 0.946 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.310 1.848 -1.442 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.698 2.240 1.233 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 11.015 3.256 -0.557 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 10.262 4.483 0.461 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.588 4.123 -1.135 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 8.098 4.029 1.550 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.264 2.497 1.268 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 7.375 3.693 -0.023 1.00 0.00 H +ATOM 1138 N ILE A 67 10.303 0.864 -2.454 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.485 0.363 -3.059 1.00 0.00 C +ATOM 1140 C ILE A 67 12.308 1.566 -3.445 1.00 0.00 C +ATOM 1141 O ILE A 67 12.098 2.174 -4.493 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.169 -0.506 -4.310 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.086 -1.546 -3.970 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.434 -1.216 -4.781 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.602 -2.352 -5.158 1.00 0.00 C +ATOM 1146 H ILE A 67 9.586 1.189 -3.044 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.017 -0.226 -2.328 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.808 0.134 -5.102 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.481 -2.239 -3.242 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.237 -1.033 -3.542 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 12.795 -1.864 -3.997 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 13.191 -0.484 -5.017 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 12.210 -1.801 -5.659 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 10.437 -2.863 -5.613 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.145 -1.689 -5.879 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 8.874 -3.077 -4.826 1.00 0.00 H +ATOM 1157 N ASP A 68 13.219 1.922 -2.582 1.00 0.00 N +ATOM 1158 CA ASP A 68 14.022 3.109 -2.723 1.00 0.00 C +ATOM 1159 C ASP A 68 15.039 2.948 -3.825 1.00 0.00 C +ATOM 1160 O ASP A 68 15.377 3.908 -4.518 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.696 3.469 -1.385 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.710 2.446 -0.884 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 15.337 1.282 -0.644 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 16.888 2.810 -0.675 1.00 0.00 O +ATOM 1165 H ASP A 68 13.398 1.358 -1.796 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.358 3.916 -2.994 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 15.214 4.403 -1.515 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 13.930 3.590 -0.633 1.00 0.00 H +ATOM 1169 N GLU A 69 15.481 1.729 -4.021 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.444 1.416 -5.053 1.00 0.00 C +ATOM 1171 C GLU A 69 15.825 1.551 -6.442 1.00 0.00 C +ATOM 1172 O GLU A 69 16.491 1.944 -7.388 1.00 0.00 O +ATOM 1173 CB GLU A 69 17.028 0.029 -4.839 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.760 -0.114 -3.516 1.00 0.00 C +ATOM 1175 CD GLU A 69 18.354 -1.480 -3.311 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 17.670 -2.370 -2.756 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 19.540 -1.683 -3.682 1.00 0.00 O +ATOM 1178 H GLU A 69 15.156 1.014 -3.431 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.237 2.144 -4.970 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 16.225 -0.693 -4.864 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.723 -0.185 -5.638 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 18.560 0.610 -3.490 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 17.069 0.093 -2.711 1.00 0.00 H +ATOM 1184 N LYS A 70 14.540 1.259 -6.549 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.849 1.368 -7.833 1.00 0.00 C +ATOM 1186 C LYS A 70 13.052 2.662 -7.925 1.00 0.00 C +ATOM 1187 O LYS A 70 12.458 2.962 -8.960 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.948 0.157 -8.100 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.695 -1.157 -8.234 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.748 -2.310 -8.528 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.505 -3.616 -8.714 1.00 0.00 C +ATOM 1192 NZ LYS A 70 12.599 -4.740 -9.041 1.00 0.00 N +ATOM 1193 H LYS A 70 14.058 0.968 -5.748 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.617 1.404 -8.591 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.254 0.061 -7.280 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.394 0.330 -9.012 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.414 -1.076 -9.035 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.210 -1.353 -7.305 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 12.063 -2.420 -7.701 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.189 -2.092 -9.425 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 14.219 -3.496 -9.516 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 14.033 -3.846 -7.801 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 12.082 -4.564 -9.925 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 11.905 -4.886 -8.281 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 13.156 -5.611 -9.158 1.00 0.00 H +ATOM 1206 N VAL A 71 13.060 3.425 -6.825 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.385 4.737 -6.720 1.00 0.00 C +ATOM 1208 C VAL A 71 10.834 4.566 -6.860 1.00 0.00 C +ATOM 1209 O VAL A 71 10.092 5.498 -7.171 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.968 5.765 -7.785 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 12.447 7.186 -7.575 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.495 5.774 -7.753 1.00 0.00 C +ATOM 1213 H VAL A 71 13.538 3.089 -6.041 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.594 5.101 -5.724 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.657 5.434 -8.765 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 12.728 7.530 -6.590 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 11.370 7.188 -7.666 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.874 7.841 -8.321 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.868 4.785 -7.976 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.829 6.068 -6.768 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.868 6.475 -8.485 1.00 0.00 H +ATOM 1222 N VAL A 72 10.347 3.398 -6.536 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.939 3.120 -6.695 1.00 0.00 C +ATOM 1224 C VAL A 72 8.348 2.514 -5.427 1.00 0.00 C +ATOM 1225 O VAL A 72 8.979 1.717 -4.742 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.659 2.205 -7.948 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.358 0.862 -7.838 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.162 2.008 -8.193 1.00 0.00 C +ATOM 1229 H VAL A 72 10.933 2.717 -6.141 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.446 4.068 -6.857 1.00 0.00 H +ATOM 1231 HB VAL A 72 9.077 2.708 -8.809 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 10.422 1.023 -7.775 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 9.131 0.273 -8.715 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 9.012 0.348 -6.953 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.718 1.546 -7.324 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 7.018 1.366 -9.049 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.685 2.959 -8.374 1.00 0.00 H +ATOM 1238 N VAL A 73 7.182 2.951 -5.098 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.426 2.439 -4.011 1.00 0.00 C +ATOM 1240 C VAL A 73 5.434 1.446 -4.590 1.00 0.00 C +ATOM 1241 O VAL A 73 4.583 1.804 -5.413 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.687 3.573 -3.266 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.867 3.022 -2.130 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.676 4.601 -2.745 1.00 0.00 C +ATOM 1245 H VAL A 73 6.771 3.668 -5.628 1.00 0.00 H +ATOM 1246 HA VAL A 73 7.096 1.928 -3.333 1.00 0.00 H +ATOM 1247 HB VAL A 73 5.025 4.066 -3.961 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 4.138 2.326 -2.516 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 4.358 3.829 -1.624 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 5.516 2.510 -1.435 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 6.148 5.376 -2.210 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 7.206 5.037 -3.579 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 7.383 4.120 -2.087 1.00 0.00 H +ATOM 1254 N PHE A 74 5.566 0.226 -4.192 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.804 -0.850 -4.753 1.00 0.00 C +ATOM 1256 C PHE A 74 3.751 -1.325 -3.763 1.00 0.00 C +ATOM 1257 O PHE A 74 4.086 -1.810 -2.679 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.776 -1.984 -5.112 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.172 -3.175 -5.795 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.959 -3.167 -7.162 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 4.849 -4.315 -5.077 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.435 -4.269 -7.800 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.319 -5.417 -5.708 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.114 -5.394 -7.073 1.00 0.00 C +ATOM 1265 H PHE A 74 6.194 0.034 -3.457 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.330 -0.507 -5.659 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.536 -1.591 -5.771 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.254 -2.323 -4.205 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 5.208 -2.282 -7.730 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.011 -4.331 -4.009 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.274 -4.252 -8.868 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.068 -6.298 -5.136 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.701 -6.260 -7.570 1.00 0.00 H +ATOM 1274 N VAL A 75 2.493 -1.137 -4.111 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.391 -1.616 -3.302 1.00 0.00 C +ATOM 1276 C VAL A 75 1.321 -3.120 -3.418 1.00 0.00 C +ATOM 1277 O VAL A 75 1.172 -3.668 -4.519 1.00 0.00 O +ATOM 1278 CB VAL A 75 0.036 -0.978 -3.714 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.128 -1.546 -2.893 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.104 0.539 -3.580 1.00 0.00 C +ATOM 1281 H VAL A 75 2.307 -0.654 -4.948 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.610 -1.364 -2.275 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.151 -1.217 -4.748 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -0.942 -1.390 -1.841 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -1.222 -2.604 -3.089 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -2.048 -1.053 -3.173 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 -0.857 0.964 -3.830 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 0.851 0.920 -4.261 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.373 0.808 -2.570 1.00 0.00 H +ATOM 1290 N ILE A 76 1.425 -3.767 -2.295 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.511 -5.200 -2.244 1.00 0.00 C +ATOM 1292 C ILE A 76 0.145 -5.802 -1.998 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.243 -6.790 -2.616 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.421 -5.614 -1.068 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.767 -4.910 -1.156 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.619 -7.122 -1.045 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.628 -5.135 0.052 1.00 0.00 C +ATOM 1298 H ILE A 76 1.437 -3.265 -1.450 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.948 -5.579 -3.155 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.937 -5.322 -0.147 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.301 -5.283 -2.018 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.610 -3.848 -1.267 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 3.238 -7.392 -0.202 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 3.103 -7.432 -1.960 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 1.659 -7.611 -0.962 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 5.587 -4.667 -0.103 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.757 -6.198 0.193 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 4.156 -4.715 0.927 1.00 0.00 H +ATOM 1309 N SER A 77 -0.590 -5.206 -1.098 1.00 0.00 N +ATOM 1310 CA SER A 77 -1.865 -5.737 -0.706 1.00 0.00 C +ATOM 1311 C SER A 77 -2.784 -4.618 -0.277 1.00 0.00 C +ATOM 1312 O SER A 77 -2.323 -3.575 0.209 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.667 -6.737 0.442 1.00 0.00 C +ATOM 1314 OG SER A 77 -0.768 -7.766 0.056 1.00 0.00 O +ATOM 1315 H SER A 77 -0.285 -4.374 -0.673 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.295 -6.260 -1.546 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.261 -6.222 1.300 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.617 -7.181 0.702 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.590 -7.663 -0.888 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.062 -4.816 -0.469 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.044 -3.842 -0.103 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.335 -4.563 0.308 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.727 -5.572 -0.314 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.282 -2.813 -1.263 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.842 -3.464 -2.520 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.146 -1.651 -0.815 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.392 -5.650 -0.866 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.663 -3.318 0.762 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.311 -2.422 -1.529 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -6.788 -3.931 -2.287 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.151 -4.212 -2.881 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -5.989 -2.715 -3.283 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.654 -1.142 0.001 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -7.110 -2.014 -0.493 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.264 -0.965 -1.641 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.935 -4.113 1.374 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.142 -4.718 1.861 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.397 -4.344 3.293 1.00 0.00 C +ATOM 1339 O GLY A 79 -8.298 -3.182 3.647 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.558 -3.349 1.872 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.966 -4.368 1.257 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.078 -5.791 1.779 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.670 -5.306 4.126 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.012 -5.027 5.509 1.00 0.00 C +ATOM 1345 C LYS A 80 -7.948 -5.549 6.446 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.096 -6.349 6.060 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.335 -5.694 5.891 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.500 -5.400 4.965 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.814 -5.963 5.508 1.00 0.00 C +ATOM 1350 CE LYS A 80 -12.750 -7.467 5.806 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -12.412 -8.282 4.617 1.00 0.00 N +ATOM 1352 H LYS A 80 -8.611 -6.245 3.817 1.00 0.00 H +ATOM 1353 HA LYS A 80 -9.118 -3.961 5.637 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.181 -6.762 5.894 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.608 -5.382 6.888 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.596 -4.331 4.855 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.300 -5.844 4.001 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -13.057 -5.445 6.425 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.594 -5.781 4.783 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -11.997 -7.633 6.562 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -13.711 -7.778 6.190 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -12.601 -9.282 4.819 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -11.389 -8.247 4.397 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -12.964 -7.999 3.784 1.00 0.00 H +ATOM 1365 N ALA A 81 -8.005 -5.112 7.667 1.00 0.00 N +ATOM 1366 CA ALA A 81 -7.157 -5.644 8.686 1.00 0.00 C +ATOM 1367 C ALA A 81 -8.009 -6.022 9.855 1.00 0.00 C +ATOM 1368 O ALA A 81 -8.067 -5.332 10.871 1.00 0.00 O +ATOM 1369 CB ALA A 81 -6.031 -4.708 9.084 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.662 -4.419 7.902 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.736 -6.556 8.286 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -6.450 -3.813 9.519 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -5.446 -4.450 8.214 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -5.402 -5.199 9.813 1.00 0.00 H +ATOM 1375 N GLU A 82 -8.761 -7.059 9.645 1.00 0.00 N +ATOM 1376 CA GLU A 82 -9.643 -7.607 10.642 1.00 0.00 C +ATOM 1377 C GLU A 82 -8.833 -8.335 11.699 1.00 0.00 C +ATOM 1378 O GLU A 82 -9.090 -8.230 12.896 1.00 0.00 O +ATOM 1379 CB GLU A 82 -10.732 -8.497 9.978 1.00 0.00 C +ATOM 1380 CG GLU A 82 -10.329 -9.183 8.641 1.00 0.00 C +ATOM 1381 CD GLU A 82 -9.157 -10.133 8.743 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -7.993 -9.670 8.698 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -9.377 -11.344 8.881 1.00 0.00 O +ATOM 1384 H GLU A 82 -8.705 -7.507 8.775 1.00 0.00 H +ATOM 1385 HA GLU A 82 -10.124 -6.767 11.123 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -11.011 -9.272 10.674 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -11.600 -7.882 9.787 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -11.175 -9.749 8.281 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -10.093 -8.417 7.917 1.00 0.00 H +ATOM 1390 N ALA A 83 -7.846 -9.024 11.237 1.00 0.00 N +ATOM 1391 CA ALA A 83 -6.903 -9.702 12.042 1.00 0.00 C +ATOM 1392 C ALA A 83 -5.562 -9.619 11.346 1.00 0.00 C +ATOM 1393 O ALA A 83 -4.673 -8.901 11.795 1.00 0.00 O +ATOM 1394 CB ALA A 83 -7.318 -11.151 12.267 1.00 0.00 C +ATOM 1395 H ALA A 83 -7.754 -9.097 10.256 1.00 0.00 H +ATOM 1396 HA ALA A 83 -6.843 -9.197 12.995 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -7.390 -11.657 11.315 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -8.278 -11.178 12.762 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -6.583 -11.647 12.883 1.00 0.00 H +ATOM 1400 N SER A 84 -5.444 -10.278 10.198 1.00 0.00 N +ATOM 1401 CA SER A 84 -4.180 -10.317 9.484 1.00 0.00 C +ATOM 1402 C SER A 84 -4.384 -10.477 7.957 1.00 0.00 C +ATOM 1403 O SER A 84 -3.460 -10.912 7.264 1.00 0.00 O +ATOM 1404 CB SER A 84 -3.319 -11.489 10.019 1.00 0.00 C +ATOM 1405 OG SER A 84 -3.117 -11.406 11.435 1.00 0.00 O +ATOM 1406 H SER A 84 -6.219 -10.745 9.815 1.00 0.00 H +ATOM 1407 HA SER A 84 -3.655 -9.396 9.685 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -3.811 -12.425 9.805 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -2.355 -11.475 9.531 1.00 0.00 H +ATOM 1410 HG SER A 84 -2.752 -12.254 11.715 1.00 0.00 H +ATOM 1411 N GLU A 85 -5.542 -10.029 7.424 1.00 0.00 N +ATOM 1412 CA GLU A 85 -5.882 -10.216 5.987 1.00 0.00 C +ATOM 1413 C GLU A 85 -4.811 -9.630 5.057 1.00 0.00 C +ATOM 1414 O GLU A 85 -4.300 -10.324 4.169 1.00 0.00 O +ATOM 1415 CB GLU A 85 -7.219 -9.530 5.661 1.00 0.00 C +ATOM 1416 CG GLU A 85 -7.644 -9.665 4.207 1.00 0.00 C +ATOM 1417 CD GLU A 85 -8.811 -8.789 3.836 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -9.951 -9.087 4.221 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -8.620 -7.811 3.096 1.00 0.00 O +ATOM 1420 H GLU A 85 -6.228 -9.613 7.998 1.00 0.00 H +ATOM 1421 HA GLU A 85 -5.984 -11.275 5.792 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -7.993 -9.952 6.284 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -7.128 -8.477 5.887 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -6.808 -9.394 3.579 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -7.909 -10.695 4.020 1.00 0.00 H +ATOM 1426 N VAL A 86 -4.459 -8.379 5.278 1.00 0.00 N +ATOM 1427 CA VAL A 86 -3.464 -7.720 4.440 1.00 0.00 C +ATOM 1428 C VAL A 86 -2.042 -8.046 4.858 1.00 0.00 C +ATOM 1429 O VAL A 86 -1.106 -7.750 4.143 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.654 -6.182 4.384 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -4.941 -5.832 3.667 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -3.645 -5.575 5.784 1.00 0.00 C +ATOM 1433 H VAL A 86 -4.910 -7.878 5.990 1.00 0.00 H +ATOM 1434 HA VAL A 86 -3.604 -8.106 3.440 1.00 0.00 H +ATOM 1435 HB VAL A 86 -2.831 -5.762 3.823 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -5.776 -6.271 4.192 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -4.910 -6.215 2.657 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -5.059 -4.758 3.641 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -4.457 -5.992 6.363 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -3.762 -4.503 5.719 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -2.707 -5.804 6.268 1.00 0.00 H +ATOM 1442 N TYR A 87 -1.887 -8.681 5.994 1.00 0.00 N +ATOM 1443 CA TYR A 87 -0.559 -8.978 6.502 1.00 0.00 C +ATOM 1444 C TYR A 87 -0.030 -10.259 5.916 1.00 0.00 C +ATOM 1445 O TYR A 87 1.100 -10.300 5.417 1.00 0.00 O +ATOM 1446 CB TYR A 87 -0.540 -9.032 8.024 1.00 0.00 C +ATOM 1447 CG TYR A 87 -0.790 -7.699 8.686 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 -2.079 -7.235 8.901 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 0.271 -6.907 9.103 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 -2.303 -6.023 9.513 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 0.053 -5.692 9.714 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -1.236 -5.256 9.915 1.00 0.00 C +ATOM 1453 OH TYR A 87 -1.462 -4.052 10.532 1.00 0.00 O +ATOM 1454 H TYR A 87 -2.682 -8.982 6.481 1.00 0.00 H +ATOM 1455 HA TYR A 87 0.086 -8.175 6.178 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 -1.303 -9.718 8.360 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 0.424 -9.393 8.353 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 -2.916 -7.835 8.580 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 1.281 -7.255 8.943 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 -3.313 -5.678 9.673 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 0.893 -5.089 10.027 1.00 0.00 H +ATOM 1462 HH TYR A 87 -2.225 -4.175 11.111 1.00 0.00 H +ATOM 1463 N SER A 88 -0.856 -11.291 5.927 1.00 0.00 N +ATOM 1464 CA SER A 88 -0.466 -12.572 5.391 1.00 0.00 C +ATOM 1465 C SER A 88 -0.273 -12.469 3.889 1.00 0.00 C +ATOM 1466 O SER A 88 0.645 -13.071 3.312 1.00 0.00 O +ATOM 1467 CB SER A 88 -1.519 -13.621 5.739 1.00 0.00 C +ATOM 1468 OG SER A 88 -2.811 -13.213 5.294 1.00 0.00 O +ATOM 1469 H SER A 88 -1.760 -11.211 6.308 1.00 0.00 H +ATOM 1470 HA SER A 88 0.474 -12.852 5.839 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -1.267 -14.547 5.246 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -1.546 -13.771 6.808 1.00 0.00 H +ATOM 1473 HG SER A 88 -2.885 -13.481 4.369 1.00 0.00 H +ATOM 1474 N GLU A 89 -1.120 -11.664 3.279 1.00 0.00 N +ATOM 1475 CA GLU A 89 -1.096 -11.446 1.865 1.00 0.00 C +ATOM 1476 C GLU A 89 0.206 -10.740 1.480 1.00 0.00 C +ATOM 1477 O GLU A 89 0.894 -11.147 0.534 1.00 0.00 O +ATOM 1478 CB GLU A 89 -2.306 -10.603 1.464 1.00 0.00 C +ATOM 1479 CG GLU A 89 -2.569 -10.570 -0.022 1.00 0.00 C +ATOM 1480 CD GLU A 89 -2.915 -11.932 -0.558 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -4.105 -12.289 -0.581 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -2.015 -12.671 -0.987 1.00 0.00 O +ATOM 1483 H GLU A 89 -1.795 -11.204 3.821 1.00 0.00 H +ATOM 1484 HA GLU A 89 -1.150 -12.401 1.365 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -3.183 -10.999 1.954 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -2.144 -9.590 1.805 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -3.392 -9.898 -0.219 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -1.683 -10.214 -0.524 1.00 0.00 H +ATOM 1489 N ALA A 90 0.566 -9.728 2.258 1.00 0.00 N +ATOM 1490 CA ALA A 90 1.761 -8.955 2.012 1.00 0.00 C +ATOM 1491 C ALA A 90 3.013 -9.809 2.127 1.00 0.00 C +ATOM 1492 O ALA A 90 3.771 -9.929 1.168 1.00 0.00 O +ATOM 1493 CB ALA A 90 1.843 -7.759 2.945 1.00 0.00 C +ATOM 1494 H ALA A 90 -0.008 -9.481 3.014 1.00 0.00 H +ATOM 1495 HA ALA A 90 1.696 -8.585 0.999 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 1.940 -8.108 3.962 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 0.944 -7.167 2.854 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 2.702 -7.155 2.688 1.00 0.00 H +ATOM 1499 N VAL A 91 3.199 -10.459 3.271 1.00 0.00 N +ATOM 1500 CA VAL A 91 4.415 -11.235 3.507 1.00 0.00 C +ATOM 1501 C VAL A 91 4.594 -12.386 2.491 1.00 0.00 C +ATOM 1502 O VAL A 91 5.718 -12.656 2.042 1.00 0.00 O +ATOM 1503 CB VAL A 91 4.558 -11.716 4.994 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 3.414 -12.610 5.422 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 5.905 -12.394 5.238 1.00 0.00 C +ATOM 1506 H VAL A 91 2.500 -10.409 3.961 1.00 0.00 H +ATOM 1507 HA VAL A 91 5.221 -10.545 3.298 1.00 0.00 H +ATOM 1508 HB VAL A 91 4.514 -10.835 5.619 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 3.382 -13.480 4.788 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 2.484 -12.069 5.332 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 3.561 -12.916 6.448 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 5.973 -12.708 6.269 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 6.704 -11.700 5.022 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 5.992 -13.258 4.595 1.00 0.00 H +ATOM 1515 N LYS A 92 3.498 -13.017 2.072 1.00 0.00 N +ATOM 1516 CA LYS A 92 3.587 -14.079 1.069 1.00 0.00 C +ATOM 1517 C LYS A 92 3.794 -13.524 -0.339 1.00 0.00 C +ATOM 1518 O LYS A 92 4.166 -14.253 -1.253 1.00 0.00 O +ATOM 1519 CB LYS A 92 2.388 -15.048 1.099 1.00 0.00 C +ATOM 1520 CG LYS A 92 2.476 -16.194 2.127 1.00 0.00 C +ATOM 1521 CD LYS A 92 2.431 -15.733 3.568 1.00 0.00 C +ATOM 1522 CE LYS A 92 2.469 -16.920 4.519 1.00 0.00 C +ATOM 1523 NZ LYS A 92 2.226 -16.517 5.916 1.00 0.00 N +ATOM 1524 H LYS A 92 2.620 -12.768 2.437 1.00 0.00 H +ATOM 1525 HA LYS A 92 4.480 -14.637 1.306 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 1.498 -14.480 1.320 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 2.279 -15.482 0.117 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 1.647 -16.866 1.972 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 3.397 -16.733 1.959 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 3.302 -15.121 3.743 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 1.534 -15.159 3.741 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 1.714 -17.633 4.223 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 3.441 -17.386 4.451 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 2.921 -15.822 6.253 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 2.273 -17.337 6.552 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 1.278 -16.102 6.020 1.00 0.00 H +ATOM 1537 N ARG A 93 3.558 -12.241 -0.520 1.00 0.00 N +ATOM 1538 CA ARG A 93 3.753 -11.628 -1.819 1.00 0.00 C +ATOM 1539 C ARG A 93 5.179 -11.131 -1.956 1.00 0.00 C +ATOM 1540 O ARG A 93 5.734 -11.105 -3.055 1.00 0.00 O +ATOM 1541 CB ARG A 93 2.730 -10.503 -2.068 1.00 0.00 C +ATOM 1542 CG ARG A 93 2.786 -9.804 -3.447 1.00 0.00 C +ATOM 1543 CD ARG A 93 2.518 -10.753 -4.624 1.00 0.00 C +ATOM 1544 NE ARG A 93 3.631 -11.692 -4.874 1.00 0.00 N +ATOM 1545 CZ ARG A 93 3.555 -12.793 -5.641 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 2.436 -13.074 -6.298 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 4.607 -13.606 -5.761 1.00 0.00 N +ATOM 1548 H ARG A 93 3.242 -11.690 0.230 1.00 0.00 H +ATOM 1549 HA ARG A 93 3.620 -12.395 -2.560 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 1.737 -10.909 -1.953 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 2.876 -9.751 -1.306 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 2.043 -9.022 -3.471 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 3.766 -9.364 -3.566 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 1.629 -11.326 -4.408 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 2.351 -10.164 -5.513 1.00 0.00 H +ATOM 1556 HE ARG A 93 4.476 -11.460 -4.422 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 1.612 -12.501 -6.263 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 2.377 -13.902 -6.863 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 5.492 -13.460 -5.305 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 4.548 -14.429 -6.336 1.00 0.00 H +ATOM 1561 N ILE A 94 5.777 -10.792 -0.849 1.00 0.00 N +ATOM 1562 CA ILE A 94 7.134 -10.283 -0.841 1.00 0.00 C +ATOM 1563 C ILE A 94 8.143 -11.427 -0.882 1.00 0.00 C +ATOM 1564 O ILE A 94 9.046 -11.430 -1.722 1.00 0.00 O +ATOM 1565 CB ILE A 94 7.397 -9.428 0.405 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 6.354 -8.341 0.511 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 8.788 -8.798 0.331 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 6.369 -7.650 1.833 1.00 0.00 C +ATOM 1569 H ILE A 94 5.279 -10.866 -0.005 1.00 0.00 H +ATOM 1570 HA ILE A 94 7.264 -9.666 -1.717 1.00 0.00 H +ATOM 1571 HB ILE A 94 7.333 -10.058 1.279 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 6.538 -7.601 -0.254 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 5.375 -8.772 0.365 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 8.961 -8.213 1.223 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 8.848 -8.158 -0.535 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 9.536 -9.574 0.259 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 6.197 -8.402 2.589 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 5.574 -6.922 1.864 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 7.326 -7.179 1.996 1.00 0.00 H +ATOM 1580 N LEU A 95 8.007 -12.382 0.014 1.00 0.00 N +ATOM 1581 CA LEU A 95 8.935 -13.496 0.047 1.00 0.00 C +ATOM 1582 C LEU A 95 8.250 -14.751 -0.472 1.00 0.00 C +ATOM 1583 O LEU A 95 7.860 -15.620 0.340 1.00 0.00 O +ATOM 1584 CB LEU A 95 9.525 -13.756 1.466 1.00 0.00 C +ATOM 1585 CG LEU A 95 10.389 -12.656 2.129 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 9.547 -11.504 2.650 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 11.235 -13.244 3.245 1.00 0.00 C +ATOM 1588 OXT LEU A 95 8.052 -14.858 -1.701 1.00 0.00 O +ATOM 1589 H LEU A 95 7.263 -12.368 0.654 1.00 0.00 H +ATOM 1590 HA LEU A 95 9.741 -13.254 -0.631 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 8.704 -13.961 2.136 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 10.127 -14.650 1.399 1.00 0.00 H +ATOM 1593 HG LEU A 95 11.059 -12.252 1.384 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 8.851 -11.867 3.392 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 9.000 -11.069 1.828 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 10.191 -10.757 3.090 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 10.594 -13.672 4.001 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 11.836 -12.464 3.689 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 11.881 -14.011 2.844 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 4 +ATOM 1 N MET A 1 11.419 14.430 -1.594 1.00 0.00 N +ATOM 2 CA MET A 1 11.224 14.102 -3.010 1.00 0.00 C +ATOM 3 C MET A 1 10.043 13.170 -3.120 1.00 0.00 C +ATOM 4 O MET A 1 9.859 12.320 -2.260 1.00 0.00 O +ATOM 5 CB MET A 1 12.479 13.426 -3.570 1.00 0.00 C +ATOM 6 CG MET A 1 12.403 13.047 -5.044 1.00 0.00 C +ATOM 7 SD MET A 1 13.925 12.281 -5.654 1.00 0.00 S +ATOM 8 CE MET A 1 14.058 10.844 -4.582 1.00 0.00 C +ATOM 9 H MET A 1 11.586 13.554 -1.061 1.00 0.00 H +ATOM 10 HA MET A 1 11.017 15.010 -3.557 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.324 14.085 -3.437 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.635 12.522 -3.000 1.00 0.00 H +ATOM 13 HG2 MET A 1 11.588 12.354 -5.183 1.00 0.00 H +ATOM 14 HG3 MET A 1 12.212 13.941 -5.620 1.00 0.00 H +ATOM 15 HE1 MET A 1 14.159 11.166 -3.557 1.00 0.00 H +ATOM 16 HE2 MET A 1 14.922 10.262 -4.866 1.00 0.00 H +ATOM 17 HE3 MET A 1 13.170 10.240 -4.683 1.00 0.00 H +ATOM 18 N ALA A 2 9.257 13.316 -4.163 1.00 0.00 N +ATOM 19 CA ALA A 2 8.072 12.503 -4.326 1.00 0.00 C +ATOM 20 C ALA A 2 8.394 11.218 -5.056 1.00 0.00 C +ATOM 21 O ALA A 2 9.142 11.212 -6.041 1.00 0.00 O +ATOM 22 CB ALA A 2 6.969 13.263 -5.040 1.00 0.00 C +ATOM 23 H ALA A 2 9.499 13.954 -4.869 1.00 0.00 H +ATOM 24 HA ALA A 2 7.722 12.248 -3.336 1.00 0.00 H +ATOM 25 HB1 ALA A 2 6.080 12.648 -5.062 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.280 13.483 -6.051 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.760 14.182 -4.513 1.00 0.00 H +ATOM 28 N TYR A 3 7.865 10.146 -4.554 1.00 0.00 N +ATOM 29 CA TYR A 3 8.059 8.836 -5.125 1.00 0.00 C +ATOM 30 C TYR A 3 6.924 8.492 -6.080 1.00 0.00 C +ATOM 31 O TYR A 3 5.919 9.218 -6.161 1.00 0.00 O +ATOM 32 CB TYR A 3 8.169 7.774 -4.012 1.00 0.00 C +ATOM 33 CG TYR A 3 9.459 7.826 -3.199 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.867 8.984 -2.550 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.259 6.700 -3.076 1.00 0.00 C +ATOM 36 CE1 TYR A 3 11.028 9.019 -1.810 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.423 6.726 -2.336 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.803 7.886 -1.707 1.00 0.00 C +ATOM 39 OH TYR A 3 12.969 7.913 -0.966 1.00 0.00 O +ATOM 40 H TYR A 3 7.320 10.240 -3.741 1.00 0.00 H +ATOM 41 HA TYR A 3 8.987 8.851 -5.677 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.347 7.902 -3.324 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.097 6.795 -4.463 1.00 0.00 H +ATOM 44 HD1 TYR A 3 9.258 9.872 -2.635 1.00 0.00 H +ATOM 45 HD2 TYR A 3 9.960 5.788 -3.573 1.00 0.00 H +ATOM 46 HE1 TYR A 3 11.320 9.933 -1.314 1.00 0.00 H +ATOM 47 HE2 TYR A 3 12.031 5.838 -2.254 1.00 0.00 H +ATOM 48 HH TYR A 3 13.645 7.493 -1.515 1.00 0.00 H +ATOM 49 N PHE A 4 7.098 7.420 -6.811 1.00 0.00 N +ATOM 50 CA PHE A 4 6.089 6.928 -7.735 1.00 0.00 C +ATOM 51 C PHE A 4 5.226 5.902 -7.020 1.00 0.00 C +ATOM 52 O PHE A 4 5.625 5.393 -5.986 1.00 0.00 O +ATOM 53 CB PHE A 4 6.757 6.290 -8.961 1.00 0.00 C +ATOM 54 CG PHE A 4 7.612 7.237 -9.750 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.037 8.182 -10.577 1.00 0.00 C +ATOM 56 CD2 PHE A 4 8.996 7.179 -9.665 1.00 0.00 C +ATOM 57 CE1 PHE A 4 7.819 9.054 -11.304 1.00 0.00 C +ATOM 58 CE2 PHE A 4 9.783 8.047 -10.390 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.194 8.986 -11.209 1.00 0.00 C +ATOM 60 H PHE A 4 7.946 6.929 -6.727 1.00 0.00 H +ATOM 61 HA PHE A 4 5.474 7.760 -8.049 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.402 5.496 -8.615 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.011 5.868 -9.616 1.00 0.00 H +ATOM 64 HD1 PHE A 4 5.960 8.235 -10.649 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.458 6.444 -9.022 1.00 0.00 H +ATOM 66 HE1 PHE A 4 7.354 9.788 -11.946 1.00 0.00 H +ATOM 67 HE2 PHE A 4 10.859 7.995 -10.316 1.00 0.00 H +ATOM 68 HZ PHE A 4 9.810 9.668 -11.776 1.00 0.00 H +ATOM 69 N LEU A 5 4.064 5.608 -7.545 1.00 0.00 N +ATOM 70 CA LEU A 5 3.174 4.645 -6.918 1.00 0.00 C +ATOM 71 C LEU A 5 2.793 3.581 -7.959 1.00 0.00 C +ATOM 72 O LEU A 5 2.331 3.919 -9.047 1.00 0.00 O +ATOM 73 CB LEU A 5 1.911 5.388 -6.394 1.00 0.00 C +ATOM 74 CG LEU A 5 1.040 4.719 -5.285 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.471 3.384 -5.694 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.803 4.588 -3.984 1.00 0.00 C +ATOM 77 H LEU A 5 3.781 6.030 -8.385 1.00 0.00 H +ATOM 78 HA LEU A 5 3.691 4.181 -6.092 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.240 6.342 -6.014 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.277 5.576 -7.249 1.00 0.00 H +ATOM 81 HG LEU A 5 0.195 5.366 -5.099 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.079 2.975 -4.859 1.00 0.00 H +ATOM 83 HD12 LEU A 5 1.276 2.714 -5.954 1.00 0.00 H +ATOM 84 HD13 LEU A 5 -0.195 3.511 -6.535 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.084 5.564 -3.624 1.00 0.00 H +ATOM 86 HD22 LEU A 5 2.686 3.988 -4.143 1.00 0.00 H +ATOM 87 HD23 LEU A 5 1.172 4.104 -3.253 1.00 0.00 H +ATOM 88 N ASP A 6 3.018 2.331 -7.648 1.00 0.00 N +ATOM 89 CA ASP A 6 2.630 1.228 -8.528 1.00 0.00 C +ATOM 90 C ASP A 6 1.875 0.213 -7.712 1.00 0.00 C +ATOM 91 O ASP A 6 2.086 0.094 -6.503 1.00 0.00 O +ATOM 92 CB ASP A 6 3.850 0.563 -9.186 1.00 0.00 C +ATOM 93 CG ASP A 6 3.493 -0.532 -10.202 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.747 -0.254 -11.172 1.00 0.00 O +ATOM 95 OD2 ASP A 6 3.999 -1.674 -10.084 1.00 0.00 O +ATOM 96 H ASP A 6 3.445 2.108 -6.788 1.00 0.00 H +ATOM 97 HA ASP A 6 1.976 1.623 -9.291 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.484 1.296 -9.660 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.379 0.083 -8.379 1.00 0.00 H +ATOM 100 N PHE A 7 1.008 -0.489 -8.343 1.00 0.00 N +ATOM 101 CA PHE A 7 0.199 -1.479 -7.683 1.00 0.00 C +ATOM 102 C PHE A 7 0.489 -2.819 -8.302 1.00 0.00 C +ATOM 103 O PHE A 7 0.579 -2.921 -9.538 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.300 -1.202 -7.887 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.829 0.124 -7.402 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -1.854 1.227 -8.247 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.341 0.253 -6.126 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.369 2.434 -7.818 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.863 1.457 -5.693 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.877 2.549 -6.540 1.00 0.00 C +ATOM 111 H PHE A 7 0.939 -0.366 -9.313 1.00 0.00 H +ATOM 112 HA PHE A 7 0.420 -1.486 -6.628 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.507 -1.251 -8.944 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.858 -1.985 -7.393 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.457 1.138 -9.246 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.328 -0.597 -5.461 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.379 3.285 -8.483 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.261 1.546 -4.693 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.283 3.490 -6.201 1.00 0.00 H +ATOM 120 N ASP A 8 0.655 -3.836 -7.482 1.00 0.00 N +ATOM 121 CA ASP A 8 0.775 -5.187 -8.004 1.00 0.00 C +ATOM 122 C ASP A 8 -0.599 -5.578 -8.503 1.00 0.00 C +ATOM 123 O ASP A 8 -1.599 -5.036 -8.007 1.00 0.00 O +ATOM 124 CB ASP A 8 1.232 -6.176 -6.921 1.00 0.00 C +ATOM 125 CG ASP A 8 1.511 -7.561 -7.482 1.00 0.00 C +ATOM 126 OD1 ASP A 8 0.597 -8.393 -7.540 1.00 0.00 O +ATOM 127 OD2 ASP A 8 2.663 -7.834 -7.898 1.00 0.00 O +ATOM 128 H ASP A 8 0.700 -3.684 -6.511 1.00 0.00 H +ATOM 129 HA ASP A 8 1.474 -5.175 -8.826 1.00 0.00 H +ATOM 130 HB2 ASP A 8 2.139 -5.806 -6.463 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.462 -6.258 -6.168 1.00 0.00 H +ATOM 132 N GLU A 9 -0.683 -6.483 -9.454 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.967 -6.852 -10.005 1.00 0.00 C +ATOM 134 C GLU A 9 -2.921 -7.395 -8.935 1.00 0.00 C +ATOM 135 O GLU A 9 -4.117 -7.157 -9.018 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.843 -7.813 -11.171 1.00 0.00 C +ATOM 137 CG GLU A 9 -1.297 -9.162 -10.811 1.00 0.00 C +ATOM 138 CD GLU A 9 -1.283 -10.076 -11.980 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -2.367 -10.558 -12.386 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -0.192 -10.351 -12.501 1.00 0.00 O +ATOM 141 H GLU A 9 0.135 -6.907 -9.794 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.401 -5.931 -10.365 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.820 -7.953 -11.608 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -1.193 -7.369 -11.909 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -0.287 -9.049 -10.447 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -1.917 -9.592 -10.038 1.00 0.00 H +ATOM 147 N ARG A 10 -2.389 -8.079 -7.902 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.248 -8.553 -6.811 1.00 0.00 C +ATOM 149 C ARG A 10 -3.885 -7.378 -6.099 1.00 0.00 C +ATOM 150 O ARG A 10 -5.070 -7.406 -5.776 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.525 -9.468 -5.801 1.00 0.00 C +ATOM 152 CG ARG A 10 -1.219 -8.931 -5.245 1.00 0.00 C +ATOM 153 CD ARG A 10 -0.734 -9.750 -4.064 1.00 0.00 C +ATOM 154 NE ARG A 10 -1.427 -9.358 -2.832 1.00 0.00 N +ATOM 155 CZ ARG A 10 -2.151 -10.151 -2.032 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -2.472 -11.396 -2.404 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -2.583 -9.677 -0.868 1.00 0.00 N +ATOM 158 H ARG A 10 -1.417 -8.247 -7.891 1.00 0.00 H +ATOM 159 HA ARG A 10 -4.046 -9.106 -7.284 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -3.184 -9.650 -4.965 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -2.322 -10.412 -6.286 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -0.469 -8.959 -6.021 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -1.370 -7.910 -4.928 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -0.913 -10.795 -4.260 1.00 0.00 H +ATOM 165 HD3 ARG A 10 0.325 -9.585 -3.936 1.00 0.00 H +ATOM 166 HE ARG A 10 -1.275 -8.411 -2.589 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -2.196 -11.796 -3.285 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -3.020 -11.993 -1.812 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -2.380 -8.741 -0.563 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -3.123 -10.236 -0.216 1.00 0.00 H +ATOM 171 N ALA A 11 -3.106 -6.324 -5.929 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.563 -5.126 -5.287 1.00 0.00 C +ATOM 173 C ALA A 11 -4.606 -4.441 -6.146 1.00 0.00 C +ATOM 174 O ALA A 11 -5.577 -3.959 -5.640 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.404 -4.188 -4.991 1.00 0.00 C +ATOM 176 H ALA A 11 -2.194 -6.344 -6.286 1.00 0.00 H +ATOM 177 HA ALA A 11 -4.023 -5.410 -4.352 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.683 -4.691 -4.364 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -2.770 -3.307 -4.487 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -1.932 -3.899 -5.918 1.00 0.00 H +ATOM 181 N LEU A 12 -4.404 -4.456 -7.464 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.326 -3.833 -8.407 1.00 0.00 C +ATOM 183 C LEU A 12 -6.684 -4.486 -8.375 1.00 0.00 C +ATOM 184 O LEU A 12 -7.707 -3.808 -8.367 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.767 -3.878 -9.822 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.627 -2.922 -10.127 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.083 -3.183 -11.521 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.118 -1.479 -10.014 1.00 0.00 C +ATOM 189 H LEU A 12 -3.609 -4.906 -7.825 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.439 -2.799 -8.118 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.422 -4.885 -10.007 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.579 -3.669 -10.499 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.834 -3.068 -9.411 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -2.744 -4.205 -11.595 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.250 -2.520 -11.707 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -3.856 -3.004 -12.253 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -3.322 -0.802 -10.284 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -4.423 -1.272 -8.997 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.960 -1.325 -10.672 1.00 0.00 H +ATOM 200 N LYS A 13 -6.686 -5.794 -8.336 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.912 -6.566 -8.309 1.00 0.00 C +ATOM 202 C LYS A 13 -8.697 -6.255 -7.036 1.00 0.00 C +ATOM 203 O LYS A 13 -9.907 -5.999 -7.086 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.560 -8.048 -8.408 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.830 -8.379 -9.701 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.130 -9.722 -9.641 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.298 -9.944 -10.898 1.00 0.00 C +ATOM 208 NZ LYS A 13 -4.546 -11.219 -10.880 1.00 0.00 N +ATOM 209 H LYS A 13 -5.822 -6.264 -8.331 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.504 -6.285 -9.167 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -6.930 -8.315 -7.573 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.470 -8.628 -8.374 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.542 -8.396 -10.513 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -6.096 -7.609 -9.891 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.474 -9.699 -8.782 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -6.860 -10.511 -9.535 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -5.953 -9.944 -11.755 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -4.597 -9.127 -10.987 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -5.160 -12.047 -11.005 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -4.065 -11.338 -9.965 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -3.806 -11.217 -11.618 1.00 0.00 H +ATOM 222 N GLU A 14 -7.994 -6.200 -5.923 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.584 -5.856 -4.646 1.00 0.00 C +ATOM 224 C GLU A 14 -9.001 -4.369 -4.610 1.00 0.00 C +ATOM 225 O GLU A 14 -10.019 -4.019 -4.059 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.613 -6.186 -3.526 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.234 -7.662 -3.468 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.404 -8.565 -3.155 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -8.816 -8.641 -1.982 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -8.923 -9.234 -4.062 1.00 0.00 O +ATOM 231 H GLU A 14 -7.037 -6.421 -5.937 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.468 -6.467 -4.534 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.713 -5.608 -3.670 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.060 -5.912 -2.582 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -6.856 -7.936 -4.441 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.453 -7.810 -2.739 1.00 0.00 H +ATOM 237 N TRP A 15 -8.203 -3.529 -5.224 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.441 -2.080 -5.328 1.00 0.00 C +ATOM 239 C TRP A 15 -9.756 -1.811 -6.066 1.00 0.00 C +ATOM 240 O TRP A 15 -10.545 -0.971 -5.659 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.247 -1.458 -6.080 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.241 0.029 -6.274 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.628 0.711 -7.392 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.770 1.011 -5.348 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.438 2.058 -7.210 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -6.913 2.268 -5.965 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.247 0.953 -4.055 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.549 3.452 -5.336 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -5.886 2.128 -3.432 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.037 3.360 -4.072 1.00 0.00 C +ATOM 251 H TRP A 15 -7.372 -3.883 -5.614 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.497 -1.660 -4.333 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.341 -1.702 -5.544 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.195 -1.924 -7.053 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -8.024 0.241 -8.281 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.638 2.756 -7.873 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.123 0.008 -3.547 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.661 4.412 -5.816 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.476 2.105 -2.434 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -5.741 4.254 -3.543 1.00 0.00 H +ATOM 261 N ARG A 16 -9.990 -2.551 -7.139 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.223 -2.425 -7.932 1.00 0.00 C +ATOM 263 C ARG A 16 -12.399 -3.066 -7.187 1.00 0.00 C +ATOM 264 O ARG A 16 -13.561 -2.729 -7.403 1.00 0.00 O +ATOM 265 CB ARG A 16 -11.021 -3.072 -9.304 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.879 -2.444 -10.083 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.559 -3.208 -11.348 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.358 -2.676 -12.009 1.00 0.00 N +ATOM 269 CZ ARG A 16 -7.612 -3.342 -12.903 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -7.974 -4.547 -13.300 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -6.510 -2.789 -13.405 1.00 0.00 N +ATOM 272 H ARG A 16 -9.294 -3.192 -7.411 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.425 -1.371 -8.059 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.805 -4.121 -9.167 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.927 -2.969 -9.883 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.149 -1.432 -10.343 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -9.003 -2.426 -9.451 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.387 -4.243 -11.090 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -10.395 -3.138 -12.028 1.00 0.00 H +ATOM 280 HE ARG A 16 -8.117 -1.764 -11.730 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.801 -5.000 -12.956 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -7.443 -5.064 -13.975 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -6.191 -1.873 -13.146 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -5.943 -3.269 -14.083 1.00 0.00 H +ATOM 285 N LYS A 17 -12.062 -3.982 -6.310 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.997 -4.689 -5.439 1.00 0.00 C +ATOM 287 C LYS A 17 -13.471 -3.751 -4.306 1.00 0.00 C +ATOM 288 O LYS A 17 -14.519 -3.966 -3.688 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.242 -5.903 -4.896 1.00 0.00 C +ATOM 290 CG LYS A 17 -12.904 -6.772 -3.854 1.00 0.00 C +ATOM 291 CD LYS A 17 -11.909 -7.854 -3.476 1.00 0.00 C +ATOM 292 CE LYS A 17 -12.362 -8.739 -2.345 1.00 0.00 C +ATOM 293 NZ LYS A 17 -11.325 -9.747 -2.032 1.00 0.00 N +ATOM 294 H LYS A 17 -11.111 -4.216 -6.240 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.841 -5.025 -6.024 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -11.990 -6.547 -5.724 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.318 -5.529 -4.479 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -13.149 -6.170 -2.991 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -13.790 -7.230 -4.267 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -11.727 -8.480 -4.336 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -10.980 -7.377 -3.195 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -12.543 -8.123 -1.476 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -13.274 -9.241 -2.630 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -11.212 -10.421 -2.814 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -11.532 -10.274 -1.161 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -10.396 -9.286 -1.895 1.00 0.00 H +ATOM 307 N LEU A 18 -12.687 -2.726 -4.043 1.00 0.00 N +ATOM 308 CA LEU A 18 -13.026 -1.695 -3.071 1.00 0.00 C +ATOM 309 C LEU A 18 -14.056 -0.725 -3.628 1.00 0.00 C +ATOM 310 O LEU A 18 -14.306 -0.676 -4.850 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.777 -0.907 -2.656 1.00 0.00 C +ATOM 312 CG LEU A 18 -11.094 -1.295 -1.344 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.711 -2.759 -1.303 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.886 -0.419 -1.129 1.00 0.00 C +ATOM 315 H LEU A 18 -11.829 -2.669 -4.514 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.433 -2.175 -2.195 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -11.047 -1.007 -3.447 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -12.059 0.134 -2.594 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.774 -1.111 -0.529 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -10.024 -2.977 -2.108 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -11.603 -3.358 -1.419 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.246 -2.981 -0.355 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.179 -0.572 -1.931 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -9.426 -0.650 -0.179 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -10.215 0.610 -1.135 1.00 0.00 H +ATOM 326 N GLY A 19 -14.640 0.043 -2.744 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.575 1.063 -3.147 1.00 0.00 C +ATOM 328 C GLY A 19 -14.828 2.268 -3.677 1.00 0.00 C +ATOM 329 O GLY A 19 -13.667 2.485 -3.292 1.00 0.00 O +ATOM 330 H GLY A 19 -14.428 -0.081 -1.792 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.219 0.667 -3.919 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.170 1.359 -2.297 1.00 0.00 H +ATOM 333 N SER A 20 -15.468 3.038 -4.541 1.00 0.00 N +ATOM 334 CA SER A 20 -14.864 4.195 -5.178 1.00 0.00 C +ATOM 335 C SER A 20 -14.297 5.202 -4.167 1.00 0.00 C +ATOM 336 O SER A 20 -13.166 5.658 -4.309 1.00 0.00 O +ATOM 337 CB SER A 20 -15.886 4.845 -6.107 1.00 0.00 C +ATOM 338 OG SER A 20 -17.133 5.023 -5.439 1.00 0.00 O +ATOM 339 H SER A 20 -16.396 2.841 -4.785 1.00 0.00 H +ATOM 340 HA SER A 20 -14.046 3.835 -5.786 1.00 0.00 H +ATOM 341 HB2 SER A 20 -15.518 5.810 -6.425 1.00 0.00 H +ATOM 342 HB3 SER A 20 -16.039 4.215 -6.970 1.00 0.00 H +ATOM 343 HG SER A 20 -17.555 5.781 -5.864 1.00 0.00 H +ATOM 344 N THR A 21 -15.066 5.520 -3.155 1.00 0.00 N +ATOM 345 CA THR A 21 -14.633 6.442 -2.139 1.00 0.00 C +ATOM 346 C THR A 21 -13.524 5.812 -1.295 1.00 0.00 C +ATOM 347 O THR A 21 -12.512 6.444 -1.026 1.00 0.00 O +ATOM 348 CB THR A 21 -15.810 6.860 -1.239 1.00 0.00 C +ATOM 349 OG1 THR A 21 -16.926 7.219 -2.076 1.00 0.00 O +ATOM 350 CG2 THR A 21 -15.429 8.064 -0.379 1.00 0.00 C +ATOM 351 H THR A 21 -15.953 5.110 -3.079 1.00 0.00 H +ATOM 352 HA THR A 21 -14.241 7.321 -2.632 1.00 0.00 H +ATOM 353 HB THR A 21 -16.082 6.034 -0.598 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.621 6.564 -1.919 1.00 0.00 H +ATOM 355 HG21 THR A 21 -14.588 7.808 0.249 1.00 0.00 H +ATOM 356 HG22 THR A 21 -16.269 8.344 0.238 1.00 0.00 H +ATOM 357 HG23 THR A 21 -15.163 8.894 -1.017 1.00 0.00 H +ATOM 358 N VAL A 22 -13.704 4.540 -0.953 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.774 3.808 -0.088 1.00 0.00 C +ATOM 360 C VAL A 22 -11.387 3.725 -0.710 1.00 0.00 C +ATOM 361 O VAL A 22 -10.387 4.054 -0.056 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.295 2.374 0.229 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -12.250 1.567 0.970 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.556 2.446 1.067 1.00 0.00 C +ATOM 365 H VAL A 22 -14.492 4.081 -1.316 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.699 4.355 0.841 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.532 1.874 -0.698 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -11.355 1.503 0.369 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -12.630 0.573 1.160 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -12.019 2.051 1.908 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.924 1.449 1.255 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -15.305 3.024 0.549 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.329 2.924 2.009 1.00 0.00 H +ATOM 374 N ARG A 23 -11.332 3.348 -1.984 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.062 3.274 -2.685 1.00 0.00 C +ATOM 376 C ARG A 23 -9.452 4.672 -2.757 1.00 0.00 C +ATOM 377 O ARG A 23 -8.272 4.847 -2.546 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.209 2.697 -4.122 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.163 3.500 -4.976 1.00 0.00 C +ATOM 380 CD ARG A 23 -10.858 3.479 -6.450 1.00 0.00 C +ATOM 381 NE ARG A 23 -11.595 4.570 -7.104 1.00 0.00 N +ATOM 382 CZ ARG A 23 -11.717 4.773 -8.414 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -11.325 3.846 -9.284 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -12.274 5.904 -8.845 1.00 0.00 N +ATOM 385 H ARG A 23 -12.172 3.113 -2.443 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.405 2.640 -2.109 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.239 2.696 -4.599 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.574 1.683 -4.057 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.148 3.078 -4.843 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.191 4.519 -4.622 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -9.797 3.629 -6.592 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -11.156 2.540 -6.888 1.00 0.00 H +ATOM 393 HE ARG A 23 -11.976 5.229 -6.479 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -10.935 2.970 -8.988 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -11.405 3.981 -10.275 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -12.592 6.610 -8.194 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -12.411 6.106 -9.819 1.00 0.00 H +ATOM 398 N GLU A 24 -10.285 5.659 -3.026 1.00 0.00 N +ATOM 399 CA GLU A 24 -9.836 7.004 -3.174 1.00 0.00 C +ATOM 400 C GLU A 24 -9.319 7.645 -1.894 1.00 0.00 C +ATOM 401 O GLU A 24 -8.388 8.419 -1.952 1.00 0.00 O +ATOM 402 CB GLU A 24 -10.786 7.845 -4.012 1.00 0.00 C +ATOM 403 CG GLU A 24 -10.711 7.416 -5.481 1.00 0.00 C +ATOM 404 CD GLU A 24 -11.566 8.205 -6.434 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -11.120 9.274 -6.901 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -12.663 7.732 -6.802 1.00 0.00 O +ATOM 407 H GLU A 24 -11.246 5.478 -3.105 1.00 0.00 H +ATOM 408 HA GLU A 24 -8.938 6.866 -3.759 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -11.789 7.671 -3.642 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -10.526 8.889 -3.935 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -9.687 7.514 -5.810 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -10.992 6.376 -5.542 1.00 0.00 H +ATOM 413 N GLN A 25 -9.897 7.293 -0.743 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.375 7.726 0.553 1.00 0.00 C +ATOM 415 C GLN A 25 -7.948 7.211 0.710 1.00 0.00 C +ATOM 416 O GLN A 25 -7.043 7.942 1.117 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.219 7.165 1.703 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.688 7.550 1.705 1.00 0.00 C +ATOM 419 CD GLN A 25 -11.910 9.034 1.756 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -11.989 9.624 2.827 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -12.032 9.643 0.619 1.00 0.00 N +ATOM 422 H GLN A 25 -10.721 6.761 -0.753 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.375 8.805 0.598 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.182 6.090 1.635 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.780 7.470 2.641 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -12.143 7.173 0.801 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -12.167 7.098 2.563 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -11.978 9.128 -0.213 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -12.182 10.611 0.629 1.00 0.00 H +ATOM 430 N LEU A 26 -7.756 5.950 0.350 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.451 5.319 0.409 1.00 0.00 C +ATOM 432 C LEU A 26 -5.511 5.953 -0.606 1.00 0.00 C +ATOM 433 O LEU A 26 -4.360 6.214 -0.306 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.576 3.813 0.184 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.354 3.038 1.259 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.493 1.584 0.874 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.671 3.155 2.618 1.00 0.00 C +ATOM 438 H LEU A 26 -8.524 5.426 0.032 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.051 5.496 1.396 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.069 3.665 -0.766 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.580 3.401 0.116 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.347 3.454 1.342 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.041 1.059 1.643 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -6.511 1.147 0.767 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.026 1.510 -0.062 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -7.212 2.566 3.343 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -6.666 4.187 2.937 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -5.656 2.792 2.546 1.00 0.00 H +ATOM 449 N LYS A 27 -6.034 6.219 -1.791 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.311 6.910 -2.863 1.00 0.00 C +ATOM 451 C LYS A 27 -4.823 8.273 -2.367 1.00 0.00 C +ATOM 452 O LYS A 27 -3.698 8.675 -2.633 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.247 7.138 -4.041 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.613 7.850 -5.225 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.663 8.370 -6.192 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.494 9.483 -5.551 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.497 10.041 -6.469 1.00 0.00 N +ATOM 458 H LYS A 27 -6.949 5.896 -1.958 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.475 6.306 -3.183 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.629 6.185 -4.375 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.068 7.737 -3.678 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.045 8.686 -4.845 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -4.954 7.166 -5.741 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -6.175 8.754 -7.075 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.320 7.557 -6.464 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -8.013 9.099 -4.687 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.822 10.273 -5.244 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -9.175 9.329 -6.814 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -8.054 10.494 -7.291 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -9.053 10.766 -5.972 1.00 0.00 H +ATOM 471 N LYS A 28 -5.697 8.972 -1.661 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.381 10.254 -1.059 1.00 0.00 C +ATOM 473 C LYS A 28 -4.216 10.117 -0.091 1.00 0.00 C +ATOM 474 O LYS A 28 -3.313 10.948 -0.083 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.618 10.844 -0.383 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.660 11.358 -1.380 1.00 0.00 C +ATOM 477 CD LYS A 28 -9.068 11.408 -0.787 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.162 12.222 0.480 1.00 0.00 C +ATOM 479 NZ LYS A 28 -8.904 13.656 0.245 1.00 0.00 N +ATOM 480 H LYS A 28 -6.605 8.605 -1.565 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.081 10.908 -1.863 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -7.073 10.089 0.241 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.306 11.674 0.235 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.383 12.350 -1.702 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -7.665 10.692 -2.232 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.719 11.866 -1.516 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -9.404 10.401 -0.596 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -10.150 12.072 0.890 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -8.430 11.821 1.165 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -9.604 14.031 -0.425 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -7.965 13.827 -0.168 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -8.991 14.201 1.125 1.00 0.00 H +ATOM 493 N LYS A 29 -4.219 9.052 0.692 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.098 8.764 1.574 1.00 0.00 C +ATOM 495 C LYS A 29 -1.847 8.433 0.792 1.00 0.00 C +ATOM 496 O LYS A 29 -0.765 8.855 1.157 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.408 7.667 2.593 1.00 0.00 C +ATOM 498 CG LYS A 29 -3.986 8.182 3.910 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.345 8.824 3.757 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.816 9.404 5.078 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.991 10.565 5.508 1.00 0.00 N +ATOM 502 H LYS A 29 -4.993 8.448 0.670 1.00 0.00 H +ATOM 503 HA LYS A 29 -2.873 9.670 2.115 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.119 6.981 2.157 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.493 7.135 2.806 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.086 7.356 4.599 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.299 8.908 4.321 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -5.274 9.614 3.024 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.054 8.081 3.424 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.851 9.699 5.000 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.717 8.616 5.812 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -5.385 10.971 6.383 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -4.976 11.306 4.780 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.015 10.267 5.703 1.00 0.00 H +ATOM 515 N LEU A 30 -2.007 7.717 -0.296 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.889 7.348 -1.139 1.00 0.00 C +ATOM 517 C LEU A 30 -0.242 8.568 -1.773 1.00 0.00 C +ATOM 518 O LEU A 30 0.966 8.729 -1.710 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.321 6.361 -2.226 1.00 0.00 C +ATOM 520 CG LEU A 30 -1.884 5.029 -1.739 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.260 4.148 -2.914 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -0.895 4.323 -0.822 1.00 0.00 C +ATOM 523 H LEU A 30 -2.911 7.405 -0.525 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.160 6.860 -0.510 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.074 6.845 -2.828 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.465 6.156 -2.852 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.786 5.225 -1.177 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -1.384 3.967 -3.518 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -3.013 4.643 -3.510 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -2.646 3.207 -2.552 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -0.728 4.930 0.055 1.00 0.00 H +ATOM 532 HD22 LEU A 30 0.041 4.179 -1.342 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -1.298 3.366 -0.526 1.00 0.00 H +ATOM 534 N VAL A 31 -1.052 9.452 -2.333 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.531 10.630 -3.004 1.00 0.00 C +ATOM 536 C VAL A 31 0.197 11.565 -2.015 1.00 0.00 C +ATOM 537 O VAL A 31 1.266 12.104 -2.338 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.626 11.386 -3.851 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -2.727 11.982 -2.998 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -1.013 12.445 -4.751 1.00 0.00 C +ATOM 541 H VAL A 31 -2.022 9.288 -2.301 1.00 0.00 H +ATOM 542 HA VAL A 31 0.228 10.259 -3.680 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.093 10.647 -4.485 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -3.466 12.454 -3.628 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -2.301 12.716 -2.331 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -3.188 11.195 -2.420 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -0.320 11.977 -5.433 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -0.499 13.180 -4.148 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -1.806 12.921 -5.310 1.00 0.00 H +ATOM 550 N GLU A 32 -0.364 11.740 -0.811 1.00 0.00 N +ATOM 551 CA GLU A 32 0.282 12.564 0.204 1.00 0.00 C +ATOM 552 C GLU A 32 1.556 11.903 0.748 1.00 0.00 C +ATOM 553 O GLU A 32 2.583 12.554 0.881 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.680 12.983 1.341 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.265 11.842 2.149 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.181 12.306 3.251 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -3.401 12.443 3.021 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -1.706 12.532 4.377 1.00 0.00 O +ATOM 559 H GLU A 32 -1.221 11.304 -0.608 1.00 0.00 H +ATOM 560 HA GLU A 32 0.608 13.452 -0.316 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.151 13.632 2.022 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.497 13.535 0.901 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -1.825 11.215 1.471 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.455 11.270 2.577 1.00 0.00 H +ATOM 565 N VAL A 33 1.489 10.593 1.006 1.00 0.00 N +ATOM 566 CA VAL A 33 2.602 9.854 1.590 1.00 0.00 C +ATOM 567 C VAL A 33 3.817 9.856 0.659 1.00 0.00 C +ATOM 568 O VAL A 33 4.942 9.841 1.113 1.00 0.00 O +ATOM 569 CB VAL A 33 2.223 8.397 2.036 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.193 7.398 0.887 1.00 0.00 C +ATOM 571 CG2 VAL A 33 3.111 7.921 3.168 1.00 0.00 C +ATOM 572 H VAL A 33 0.656 10.103 0.817 1.00 0.00 H +ATOM 573 HA VAL A 33 2.888 10.419 2.467 1.00 0.00 H +ATOM 574 HB VAL A 33 1.212 8.452 2.414 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.510 7.753 0.131 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.864 6.435 1.250 1.00 0.00 H +ATOM 577 HG13 VAL A 33 3.182 7.306 0.462 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.865 6.898 3.417 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.937 8.546 4.030 1.00 0.00 H +ATOM 580 HG23 VAL A 33 4.146 7.989 2.871 1.00 0.00 H +ATOM 581 N LEU A 34 3.559 9.898 -0.648 1.00 0.00 N +ATOM 582 CA LEU A 34 4.600 9.882 -1.685 1.00 0.00 C +ATOM 583 C LEU A 34 5.650 10.969 -1.521 1.00 0.00 C +ATOM 584 O LEU A 34 6.772 10.794 -1.993 1.00 0.00 O +ATOM 585 CB LEU A 34 4.007 9.983 -3.088 1.00 0.00 C +ATOM 586 CG LEU A 34 3.245 8.775 -3.614 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.686 9.072 -4.990 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.150 7.562 -3.665 1.00 0.00 C +ATOM 589 H LEU A 34 2.617 9.927 -0.923 1.00 0.00 H +ATOM 590 HA LEU A 34 5.107 8.931 -1.612 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.327 10.821 -3.085 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.811 10.204 -3.774 1.00 0.00 H +ATOM 593 HG LEU A 34 2.417 8.556 -2.956 1.00 0.00 H +ATOM 594 HD11 LEU A 34 2.110 8.230 -5.341 1.00 0.00 H +ATOM 595 HD12 LEU A 34 3.506 9.262 -5.667 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.057 9.948 -4.943 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.440 7.276 -2.666 1.00 0.00 H +ATOM 598 HD22 LEU A 34 5.035 7.812 -4.233 1.00 0.00 H +ATOM 599 HD23 LEU A 34 3.641 6.742 -4.148 1.00 0.00 H +ATOM 600 N GLU A 35 5.307 12.092 -0.882 1.00 0.00 N +ATOM 601 CA GLU A 35 6.294 13.151 -0.703 1.00 0.00 C +ATOM 602 C GLU A 35 7.403 12.700 0.251 1.00 0.00 C +ATOM 603 O GLU A 35 8.527 13.178 0.171 1.00 0.00 O +ATOM 604 CB GLU A 35 5.672 14.476 -0.226 1.00 0.00 C +ATOM 605 CG GLU A 35 5.004 14.417 1.135 1.00 0.00 C +ATOM 606 CD GLU A 35 4.542 15.767 1.607 1.00 0.00 C +ATOM 607 OE1 GLU A 35 3.444 16.217 1.218 1.00 0.00 O +ATOM 608 OE2 GLU A 35 5.269 16.411 2.394 1.00 0.00 O +ATOM 609 H GLU A 35 4.400 12.192 -0.516 1.00 0.00 H +ATOM 610 HA GLU A 35 6.751 13.304 -1.669 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.447 15.226 -0.181 1.00 0.00 H +ATOM 612 HB3 GLU A 35 4.934 14.787 -0.951 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.148 13.762 1.077 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.710 14.023 1.851 1.00 0.00 H +ATOM 615 N SER A 36 7.076 11.777 1.135 1.00 0.00 N +ATOM 616 CA SER A 36 8.018 11.233 2.073 1.00 0.00 C +ATOM 617 C SER A 36 7.515 9.926 2.675 1.00 0.00 C +ATOM 618 O SER A 36 7.038 9.898 3.791 1.00 0.00 O +ATOM 619 CB SER A 36 8.386 12.263 3.144 1.00 0.00 C +ATOM 620 OG SER A 36 7.231 12.920 3.656 1.00 0.00 O +ATOM 621 H SER A 36 6.160 11.418 1.155 1.00 0.00 H +ATOM 622 HA SER A 36 8.908 10.986 1.519 1.00 0.00 H +ATOM 623 HB2 SER A 36 8.882 11.763 3.962 1.00 0.00 H +ATOM 624 HB3 SER A 36 9.044 13.006 2.725 1.00 0.00 H +ATOM 625 HG SER A 36 7.366 13.858 3.472 1.00 0.00 H +ATOM 626 N PRO A 37 7.608 8.807 1.923 1.00 0.00 N +ATOM 627 CA PRO A 37 7.097 7.502 2.367 1.00 0.00 C +ATOM 628 C PRO A 37 7.989 6.817 3.408 1.00 0.00 C +ATOM 629 O PRO A 37 7.793 5.668 3.730 1.00 0.00 O +ATOM 630 CB PRO A 37 7.054 6.691 1.074 1.00 0.00 C +ATOM 631 CG PRO A 37 8.154 7.260 0.257 1.00 0.00 C +ATOM 632 CD PRO A 37 8.168 8.732 0.558 1.00 0.00 C +ATOM 633 HA PRO A 37 6.101 7.587 2.772 1.00 0.00 H +ATOM 634 HB2 PRO A 37 7.214 5.646 1.291 1.00 0.00 H +ATOM 635 HB3 PRO A 37 6.098 6.823 0.590 1.00 0.00 H +ATOM 636 HG2 PRO A 37 9.093 6.813 0.550 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.966 7.091 -0.792 1.00 0.00 H +ATOM 638 HD2 PRO A 37 9.176 9.118 0.526 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.533 9.258 -0.140 1.00 0.00 H +ATOM 640 N ARG A 38 8.930 7.561 3.945 1.00 0.00 N +ATOM 641 CA ARG A 38 9.867 7.088 4.974 1.00 0.00 C +ATOM 642 C ARG A 38 9.277 7.217 6.387 1.00 0.00 C +ATOM 643 O ARG A 38 10.002 7.319 7.374 1.00 0.00 O +ATOM 644 CB ARG A 38 11.218 7.848 4.855 1.00 0.00 C +ATOM 645 CG ARG A 38 11.140 9.380 4.582 1.00 0.00 C +ATOM 646 CD ARG A 38 10.391 10.191 5.652 1.00 0.00 C +ATOM 647 NE ARG A 38 10.972 10.073 6.996 1.00 0.00 N +ATOM 648 CZ ARG A 38 10.563 10.781 8.071 1.00 0.00 C +ATOM 649 NH1 ARG A 38 9.660 11.756 7.934 1.00 0.00 N +ATOM 650 NH2 ARG A 38 11.072 10.525 9.274 1.00 0.00 N +ATOM 651 H ARG A 38 8.983 8.484 3.629 1.00 0.00 H +ATOM 652 HA ARG A 38 10.046 6.040 4.783 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.759 7.715 5.779 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.792 7.396 4.060 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.144 9.767 4.511 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.650 9.522 3.629 1.00 0.00 H +ATOM 657 HD2 ARG A 38 10.413 11.232 5.368 1.00 0.00 H +ATOM 658 HD3 ARG A 38 9.365 9.855 5.682 1.00 0.00 H +ATOM 659 HE ARG A 38 11.675 9.389 7.083 1.00 0.00 H +ATOM 660 HH11 ARG A 38 9.255 12.010 7.050 1.00 0.00 H +ATOM 661 HH12 ARG A 38 9.329 12.299 8.711 1.00 0.00 H +ATOM 662 HH21 ARG A 38 11.762 9.814 9.441 1.00 0.00 H +ATOM 663 HH22 ARG A 38 10.790 11.049 10.083 1.00 0.00 H +ATOM 664 N ILE A 39 7.982 7.148 6.465 1.00 0.00 N +ATOM 665 CA ILE A 39 7.260 7.353 7.693 1.00 0.00 C +ATOM 666 C ILE A 39 7.245 6.070 8.512 1.00 0.00 C +ATOM 667 O ILE A 39 6.407 5.181 8.315 1.00 0.00 O +ATOM 668 CB ILE A 39 5.834 7.886 7.377 1.00 0.00 C +ATOM 669 CG1 ILE A 39 5.999 9.223 6.647 1.00 0.00 C +ATOM 670 CG2 ILE A 39 4.982 8.049 8.643 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.748 9.810 6.052 1.00 0.00 C +ATOM 672 H ILE A 39 7.494 6.909 5.650 1.00 0.00 H +ATOM 673 HA ILE A 39 7.793 8.106 8.256 1.00 0.00 H +ATOM 674 HB ILE A 39 5.340 7.198 6.707 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.387 9.950 7.344 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.716 9.090 5.850 1.00 0.00 H +ATOM 677 HG21 ILE A 39 5.438 8.776 9.296 1.00 0.00 H +ATOM 678 HG22 ILE A 39 4.917 7.100 9.156 1.00 0.00 H +ATOM 679 HG23 ILE A 39 3.990 8.376 8.371 1.00 0.00 H +ATOM 680 HD11 ILE A 39 5.049 10.685 5.490 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.049 10.084 6.828 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.311 9.094 5.373 1.00 0.00 H +ATOM 683 N GLU A 40 8.217 5.985 9.411 1.00 0.00 N +ATOM 684 CA GLU A 40 8.456 4.823 10.254 1.00 0.00 C +ATOM 685 C GLU A 40 7.255 4.454 11.115 1.00 0.00 C +ATOM 686 O GLU A 40 7.108 3.297 11.508 1.00 0.00 O +ATOM 687 CB GLU A 40 9.707 5.016 11.114 1.00 0.00 C +ATOM 688 CG GLU A 40 9.679 6.262 11.976 1.00 0.00 C +ATOM 689 CD GLU A 40 10.865 6.369 12.886 1.00 0.00 C +ATOM 690 OE1 GLU A 40 11.896 6.951 12.485 1.00 0.00 O +ATOM 691 OE2 GLU A 40 10.789 5.896 14.042 1.00 0.00 O +ATOM 692 H GLU A 40 8.814 6.759 9.499 1.00 0.00 H +ATOM 693 HA GLU A 40 8.642 3.997 9.584 1.00 0.00 H +ATOM 694 HB2 GLU A 40 9.826 4.160 11.761 1.00 0.00 H +ATOM 695 HB3 GLU A 40 10.564 5.080 10.461 1.00 0.00 H +ATOM 696 HG2 GLU A 40 9.667 7.127 11.330 1.00 0.00 H +ATOM 697 HG3 GLU A 40 8.778 6.247 12.571 1.00 0.00 H +ATOM 698 N ALA A 41 6.381 5.419 11.372 1.00 0.00 N +ATOM 699 CA ALA A 41 5.170 5.178 12.151 1.00 0.00 C +ATOM 700 C ALA A 41 4.229 4.219 11.411 1.00 0.00 C +ATOM 701 O ALA A 41 3.360 3.588 12.014 1.00 0.00 O +ATOM 702 CB ALA A 41 4.462 6.493 12.449 1.00 0.00 C +ATOM 703 H ALA A 41 6.575 6.326 11.043 1.00 0.00 H +ATOM 704 HA ALA A 41 5.462 4.723 13.086 1.00 0.00 H +ATOM 705 HB1 ALA A 41 5.137 7.157 12.970 1.00 0.00 H +ATOM 706 HB2 ALA A 41 3.597 6.304 13.068 1.00 0.00 H +ATOM 707 HB3 ALA A 41 4.148 6.952 11.523 1.00 0.00 H +ATOM 708 N ASN A 42 4.419 4.099 10.105 1.00 0.00 N +ATOM 709 CA ASN A 42 3.607 3.214 9.282 1.00 0.00 C +ATOM 710 C ASN A 42 4.374 1.965 8.893 1.00 0.00 C +ATOM 711 O ASN A 42 3.801 1.039 8.334 1.00 0.00 O +ATOM 712 CB ASN A 42 3.142 3.917 7.988 1.00 0.00 C +ATOM 713 CG ASN A 42 2.136 5.029 8.202 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.352 5.011 9.156 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.130 5.993 7.312 1.00 0.00 N +ATOM 716 H ASN A 42 5.134 4.618 9.673 1.00 0.00 H +ATOM 717 HA ASN A 42 2.731 2.933 9.847 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.002 4.347 7.500 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.703 3.180 7.331 1.00 0.00 H +ATOM 720 HD21 ASN A 42 2.764 5.948 6.566 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.476 6.718 7.414 1.00 0.00 H +ATOM 722 N LYS A 43 5.659 1.931 9.192 1.00 0.00 N +ATOM 723 CA LYS A 43 6.511 0.890 8.742 1.00 0.00 C +ATOM 724 C LYS A 43 6.315 -0.405 9.518 1.00 0.00 C +ATOM 725 O LYS A 43 6.200 -0.409 10.750 1.00 0.00 O +ATOM 726 CB LYS A 43 7.948 1.360 8.820 1.00 0.00 C +ATOM 727 CG LYS A 43 8.832 0.618 7.891 1.00 0.00 C +ATOM 728 CD LYS A 43 10.230 1.210 7.817 1.00 0.00 C +ATOM 729 CE LYS A 43 11.014 0.572 6.680 1.00 0.00 C +ATOM 730 NZ LYS A 43 12.339 1.184 6.465 1.00 0.00 N +ATOM 731 H LYS A 43 6.102 2.610 9.735 1.00 0.00 H +ATOM 732 HA LYS A 43 6.283 0.710 7.703 1.00 0.00 H +ATOM 733 HB2 LYS A 43 7.982 2.405 8.552 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.309 1.223 9.827 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.847 -0.409 8.216 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.332 0.714 6.941 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.164 2.274 7.649 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.739 1.013 8.748 1.00 0.00 H +ATOM 739 HE2 LYS A 43 11.150 -0.477 6.882 1.00 0.00 H +ATOM 740 HE3 LYS A 43 10.434 0.682 5.775 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 12.948 1.151 7.306 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 12.257 2.179 6.177 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.828 0.681 5.690 1.00 0.00 H +ATOM 744 N LEU A 44 6.282 -1.482 8.781 1.00 0.00 N +ATOM 745 CA LEU A 44 6.119 -2.810 9.308 1.00 0.00 C +ATOM 746 C LEU A 44 7.440 -3.325 9.808 1.00 0.00 C +ATOM 747 O LEU A 44 8.485 -3.116 9.172 1.00 0.00 O +ATOM 748 CB LEU A 44 5.583 -3.750 8.236 1.00 0.00 C +ATOM 749 CG LEU A 44 4.187 -3.454 7.713 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.804 -4.434 6.635 1.00 0.00 C +ATOM 751 CD2 LEU A 44 3.190 -3.530 8.826 1.00 0.00 C +ATOM 752 H LEU A 44 6.397 -1.378 7.808 1.00 0.00 H +ATOM 753 HA LEU A 44 5.411 -2.767 10.120 1.00 0.00 H +ATOM 754 HB2 LEU A 44 6.259 -3.698 7.395 1.00 0.00 H +ATOM 755 HB3 LEU A 44 5.595 -4.758 8.625 1.00 0.00 H +ATOM 756 HG LEU A 44 4.156 -2.457 7.300 1.00 0.00 H +ATOM 757 HD11 LEU A 44 4.493 -4.361 5.808 1.00 0.00 H +ATOM 758 HD12 LEU A 44 2.803 -4.202 6.303 1.00 0.00 H +ATOM 759 HD13 LEU A 44 3.824 -5.434 7.042 1.00 0.00 H +ATOM 760 HD21 LEU A 44 3.374 -2.750 9.550 1.00 0.00 H +ATOM 761 HD22 LEU A 44 3.258 -4.496 9.304 1.00 0.00 H +ATOM 762 HD23 LEU A 44 2.211 -3.405 8.391 1.00 0.00 H +ATOM 763 N ARG A 45 7.404 -3.988 10.918 1.00 0.00 N +ATOM 764 CA ARG A 45 8.579 -4.502 11.527 1.00 0.00 C +ATOM 765 C ARG A 45 8.814 -5.932 11.043 1.00 0.00 C +ATOM 766 O ARG A 45 7.945 -6.802 11.185 1.00 0.00 O +ATOM 767 CB ARG A 45 8.421 -4.474 13.047 1.00 0.00 C +ATOM 768 CG ARG A 45 7.965 -3.129 13.635 1.00 0.00 C +ATOM 769 CD ARG A 45 8.859 -1.957 13.224 1.00 0.00 C +ATOM 770 NE ARG A 45 10.252 -2.144 13.622 1.00 0.00 N +ATOM 771 CZ ARG A 45 11.051 -1.202 14.142 1.00 0.00 C +ATOM 772 NH1 ARG A 45 10.587 0.018 14.428 1.00 0.00 N +ATOM 773 NH2 ARG A 45 12.311 -1.485 14.371 1.00 0.00 N +ATOM 774 H ARG A 45 6.546 -4.159 11.364 1.00 0.00 H +ATOM 775 HA ARG A 45 9.411 -3.874 11.248 1.00 0.00 H +ATOM 776 HB2 ARG A 45 7.697 -5.225 13.325 1.00 0.00 H +ATOM 777 HB3 ARG A 45 9.368 -4.735 13.484 1.00 0.00 H +ATOM 778 HG2 ARG A 45 6.960 -2.922 13.299 1.00 0.00 H +ATOM 779 HG3 ARG A 45 7.966 -3.210 14.713 1.00 0.00 H +ATOM 780 HD2 ARG A 45 8.819 -1.849 12.151 1.00 0.00 H +ATOM 781 HD3 ARG A 45 8.482 -1.055 13.682 1.00 0.00 H +ATOM 782 HE ARG A 45 10.617 -3.045 13.456 1.00 0.00 H +ATOM 783 HH11 ARG A 45 9.638 0.298 14.264 1.00 0.00 H +ATOM 784 HH12 ARG A 45 11.183 0.715 14.838 1.00 0.00 H +ATOM 785 HH21 ARG A 45 12.687 -2.394 14.158 1.00 0.00 H +ATOM 786 HH22 ARG A 45 12.957 -0.817 14.748 1.00 0.00 H +ATOM 787 N GLY A 46 9.956 -6.169 10.437 1.00 0.00 N +ATOM 788 CA GLY A 46 10.268 -7.500 9.946 1.00 0.00 C +ATOM 789 C GLY A 46 9.775 -7.712 8.534 1.00 0.00 C +ATOM 790 O GLY A 46 9.651 -8.838 8.068 1.00 0.00 O +ATOM 791 H GLY A 46 10.606 -5.440 10.313 1.00 0.00 H +ATOM 792 HA2 GLY A 46 11.338 -7.642 9.969 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.803 -8.231 10.592 1.00 0.00 H +ATOM 794 N MET A 47 9.470 -6.638 7.874 1.00 0.00 N +ATOM 795 CA MET A 47 9.013 -6.664 6.506 1.00 0.00 C +ATOM 796 C MET A 47 9.895 -5.743 5.709 1.00 0.00 C +ATOM 797 O MET A 47 10.135 -4.614 6.152 1.00 0.00 O +ATOM 798 CB MET A 47 7.555 -6.203 6.410 1.00 0.00 C +ATOM 799 CG MET A 47 6.522 -7.198 6.929 1.00 0.00 C +ATOM 800 SD MET A 47 6.318 -8.642 5.851 1.00 0.00 S +ATOM 801 CE MET A 47 5.677 -7.871 4.351 1.00 0.00 C +ATOM 802 H MET A 47 9.582 -5.766 8.306 1.00 0.00 H +ATOM 803 HA MET A 47 9.101 -7.676 6.139 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.457 -5.295 6.984 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.334 -5.985 5.377 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.840 -7.541 7.902 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.571 -6.698 7.023 1.00 0.00 H +ATOM 808 HE1 MET A 47 6.402 -7.179 3.950 1.00 0.00 H +ATOM 809 HE2 MET A 47 4.768 -7.334 4.580 1.00 0.00 H +ATOM 810 HE3 MET A 47 5.461 -8.629 3.612 1.00 0.00 H +ATOM 811 N PRO A 48 10.413 -6.203 4.550 1.00 0.00 N +ATOM 812 CA PRO A 48 11.320 -5.416 3.706 1.00 0.00 C +ATOM 813 C PRO A 48 10.716 -4.085 3.237 1.00 0.00 C +ATOM 814 O PRO A 48 9.986 -4.028 2.239 1.00 0.00 O +ATOM 815 CB PRO A 48 11.635 -6.336 2.514 1.00 0.00 C +ATOM 816 CG PRO A 48 10.576 -7.388 2.540 1.00 0.00 C +ATOM 817 CD PRO A 48 10.164 -7.541 3.977 1.00 0.00 C +ATOM 818 HA PRO A 48 12.232 -5.196 4.242 1.00 0.00 H +ATOM 819 HB2 PRO A 48 11.607 -5.764 1.599 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.618 -6.767 2.641 1.00 0.00 H +ATOM 821 HG2 PRO A 48 9.732 -7.075 1.944 1.00 0.00 H +ATOM 822 HG3 PRO A 48 10.974 -8.318 2.164 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.118 -7.803 4.038 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.770 -8.290 4.466 1.00 0.00 H +ATOM 825 N ASP A 49 10.951 -3.057 4.054 1.00 0.00 N +ATOM 826 CA ASP A 49 10.539 -1.665 3.828 1.00 0.00 C +ATOM 827 C ASP A 49 9.082 -1.544 3.456 1.00 0.00 C +ATOM 828 O ASP A 49 8.702 -0.784 2.562 1.00 0.00 O +ATOM 829 CB ASP A 49 11.455 -0.941 2.834 1.00 0.00 C +ATOM 830 CG ASP A 49 12.875 -0.810 3.350 1.00 0.00 C +ATOM 831 OD1 ASP A 49 13.076 -0.602 4.582 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.823 -0.893 2.541 1.00 0.00 O +ATOM 833 H ASP A 49 11.423 -3.272 4.888 1.00 0.00 H +ATOM 834 HA ASP A 49 10.636 -1.177 4.785 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.480 -1.497 1.908 1.00 0.00 H +ATOM 836 HB3 ASP A 49 11.063 0.047 2.646 1.00 0.00 H +ATOM 837 N CYS A 50 8.263 -2.265 4.177 1.00 0.00 N +ATOM 838 CA CYS A 50 6.849 -2.258 3.945 1.00 0.00 C +ATOM 839 C CYS A 50 6.169 -1.351 4.958 1.00 0.00 C +ATOM 840 O CYS A 50 6.593 -1.269 6.108 1.00 0.00 O +ATOM 841 CB CYS A 50 6.304 -3.675 4.032 1.00 0.00 C +ATOM 842 SG CYS A 50 7.117 -4.851 2.919 1.00 0.00 S +ATOM 843 H CYS A 50 8.635 -2.819 4.896 1.00 0.00 H +ATOM 844 HA CYS A 50 6.664 -1.868 2.959 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.435 -4.036 5.041 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.251 -3.666 3.790 1.00 0.00 H +ATOM 847 HG CYS A 50 8.240 -4.288 2.482 1.00 0.00 H +ATOM 848 N TYR A 51 5.162 -0.654 4.519 1.00 0.00 N +ATOM 849 CA TYR A 51 4.433 0.285 5.335 1.00 0.00 C +ATOM 850 C TYR A 51 2.948 -0.011 5.203 1.00 0.00 C +ATOM 851 O TYR A 51 2.508 -0.556 4.180 1.00 0.00 O +ATOM 852 CB TYR A 51 4.708 1.741 4.885 1.00 0.00 C +ATOM 853 CG TYR A 51 6.163 2.204 4.963 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.120 1.729 4.079 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.570 3.116 5.918 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.434 2.143 4.146 1.00 0.00 C +ATOM 857 CE2 TYR A 51 7.887 3.538 5.992 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.812 3.045 5.100 1.00 0.00 C +ATOM 859 OH TYR A 51 10.129 3.451 5.174 1.00 0.00 O +ATOM 860 H TYR A 51 4.869 -0.775 3.588 1.00 0.00 H +ATOM 861 HA TYR A 51 4.735 0.166 6.364 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.392 1.850 3.859 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.115 2.406 5.496 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.822 1.016 3.324 1.00 0.00 H +ATOM 865 HD2 TYR A 51 5.845 3.501 6.619 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.160 1.756 3.447 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.184 4.251 6.746 1.00 0.00 H +ATOM 868 HH TYR A 51 10.460 3.620 4.285 1.00 0.00 H +ATOM 869 N LYS A 52 2.201 0.325 6.221 1.00 0.00 N +ATOM 870 CA LYS A 52 0.773 0.115 6.248 1.00 0.00 C +ATOM 871 C LYS A 52 0.069 1.431 6.562 1.00 0.00 C +ATOM 872 O LYS A 52 0.532 2.210 7.402 1.00 0.00 O +ATOM 873 CB LYS A 52 0.412 -0.938 7.332 1.00 0.00 C +ATOM 874 CG LYS A 52 0.843 -0.525 8.743 1.00 0.00 C +ATOM 875 CD LYS A 52 0.552 -1.580 9.806 1.00 0.00 C +ATOM 876 CE LYS A 52 1.232 -1.210 11.118 1.00 0.00 C +ATOM 877 NZ LYS A 52 1.035 -2.228 12.172 1.00 0.00 N +ATOM 878 H LYS A 52 2.625 0.745 7.002 1.00 0.00 H +ATOM 879 HA LYS A 52 0.454 -0.252 5.284 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.657 -1.092 7.329 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.900 -1.870 7.090 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.897 -0.295 8.747 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.277 0.367 8.973 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -0.514 -1.631 9.971 1.00 0.00 H +ATOM 885 HD3 LYS A 52 0.905 -2.548 9.485 1.00 0.00 H +ATOM 886 HE2 LYS A 52 2.292 -1.098 10.941 1.00 0.00 H +ATOM 887 HE3 LYS A 52 0.827 -0.267 11.451 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 0.030 -2.345 12.403 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 1.512 -1.945 13.051 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 1.414 -3.155 11.891 1.00 0.00 H +ATOM 891 N ILE A 53 -1.016 1.679 5.907 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.842 2.838 6.180 1.00 0.00 C +ATOM 893 C ILE A 53 -3.246 2.333 6.452 1.00 0.00 C +ATOM 894 O ILE A 53 -3.665 1.329 5.858 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.865 3.861 4.981 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.448 4.389 4.681 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -2.810 5.038 5.271 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.375 5.355 3.514 1.00 0.00 C +ATOM 899 H ILE A 53 -1.293 1.053 5.198 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.462 3.322 7.069 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.237 3.342 4.109 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.094 4.932 5.544 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.213 3.560 4.475 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -2.809 5.714 4.429 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.477 5.570 6.150 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.814 4.676 5.437 1.00 0.00 H +ATOM 907 HD11 ILE A 53 0.654 5.633 3.338 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -0.941 6.240 3.759 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -0.786 4.893 2.629 1.00 0.00 H +ATOM 910 N LYS A 54 -3.952 2.975 7.349 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.298 2.574 7.645 1.00 0.00 C +ATOM 912 C LYS A 54 -6.243 3.743 7.432 1.00 0.00 C +ATOM 913 O LYS A 54 -5.903 4.899 7.733 1.00 0.00 O +ATOM 914 CB LYS A 54 -5.490 1.937 9.060 1.00 0.00 C +ATOM 915 CG LYS A 54 -5.288 2.863 10.254 1.00 0.00 C +ATOM 916 CD LYS A 54 -3.838 3.234 10.461 1.00 0.00 C +ATOM 917 CE LYS A 54 -3.722 4.307 11.492 1.00 0.00 C +ATOM 918 NZ LYS A 54 -2.328 4.755 11.684 1.00 0.00 N +ATOM 919 H LYS A 54 -3.587 3.777 7.777 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.496 1.825 6.899 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -6.498 1.553 9.122 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.806 1.108 9.153 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -5.854 3.766 10.085 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -5.660 2.374 11.142 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -3.300 2.363 10.803 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -3.406 3.584 9.538 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -4.320 5.124 11.119 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -4.135 3.941 12.418 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -2.280 5.502 12.405 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -1.932 5.138 10.804 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -1.724 3.968 11.993 1.00 0.00 H +ATOM 932 N LEU A 55 -7.383 3.450 6.885 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.404 4.425 6.603 1.00 0.00 C +ATOM 934 C LEU A 55 -9.197 4.632 7.912 1.00 0.00 C +ATOM 935 O LEU A 55 -9.481 3.662 8.625 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.279 3.844 5.468 1.00 0.00 C +ATOM 937 CG LEU A 55 -10.052 4.796 4.538 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -10.717 3.989 3.440 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -11.101 5.602 5.269 1.00 0.00 C +ATOM 940 H LEU A 55 -7.563 2.510 6.652 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.944 5.349 6.288 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.639 3.242 4.840 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.993 3.178 5.930 1.00 0.00 H +ATOM 944 HG LEU A 55 -9.349 5.470 4.070 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -9.965 3.479 2.859 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -11.288 4.645 2.800 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -11.376 3.260 3.888 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.829 4.936 5.706 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -11.586 6.258 4.560 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -10.625 6.186 6.042 1.00 0.00 H +ATOM 951 N ARG A 56 -9.515 5.882 8.241 1.00 0.00 N +ATOM 952 CA ARG A 56 -10.146 6.201 9.524 1.00 0.00 C +ATOM 953 C ARG A 56 -11.623 5.809 9.607 1.00 0.00 C +ATOM 954 O ARG A 56 -12.014 5.062 10.514 1.00 0.00 O +ATOM 955 CB ARG A 56 -9.977 7.684 9.885 1.00 0.00 C +ATOM 956 CG ARG A 56 -8.537 8.144 10.099 1.00 0.00 C +ATOM 957 CD ARG A 56 -7.821 7.328 11.165 1.00 0.00 C +ATOM 958 NE ARG A 56 -8.547 7.297 12.446 1.00 0.00 N +ATOM 959 CZ ARG A 56 -8.010 6.911 13.612 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -6.698 6.700 13.709 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -8.778 6.770 14.689 1.00 0.00 N +ATOM 962 H ARG A 56 -9.322 6.608 7.610 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.625 5.622 10.272 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -10.398 8.280 9.090 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -10.535 7.886 10.785 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -7.994 8.039 9.172 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -8.546 9.182 10.396 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -7.698 6.317 10.808 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -6.846 7.760 11.328 1.00 0.00 H +ATOM 970 HE ARG A 56 -9.502 7.532 12.395 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -6.071 6.821 12.937 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -6.274 6.413 14.573 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -9.769 6.940 14.685 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -8.384 6.464 15.561 1.00 0.00 H +ATOM 975 N SER A 57 -12.425 6.331 8.690 1.00 0.00 N +ATOM 976 CA SER A 57 -13.865 6.116 8.678 1.00 0.00 C +ATOM 977 C SER A 57 -14.189 4.628 8.518 1.00 0.00 C +ATOM 978 O SER A 57 -14.773 4.004 9.407 1.00 0.00 O +ATOM 979 CB SER A 57 -14.496 6.949 7.543 1.00 0.00 C +ATOM 980 OG SER A 57 -15.911 6.876 7.550 1.00 0.00 O +ATOM 981 H SER A 57 -12.031 6.894 7.991 1.00 0.00 H +ATOM 982 HA SER A 57 -14.262 6.460 9.623 1.00 0.00 H +ATOM 983 HB2 SER A 57 -14.209 7.982 7.659 1.00 0.00 H +ATOM 984 HB3 SER A 57 -14.132 6.584 6.594 1.00 0.00 H +ATOM 985 HG SER A 57 -16.196 7.317 8.359 1.00 0.00 H +ATOM 986 N SER A 58 -13.816 4.083 7.405 1.00 0.00 N +ATOM 987 CA SER A 58 -13.986 2.696 7.149 1.00 0.00 C +ATOM 988 C SER A 58 -12.638 2.023 7.301 1.00 0.00 C +ATOM 989 O SER A 58 -11.685 2.420 6.635 1.00 0.00 O +ATOM 990 CB SER A 58 -14.571 2.533 5.751 1.00 0.00 C +ATOM 991 OG SER A 58 -13.913 3.407 4.828 1.00 0.00 O +ATOM 992 H SER A 58 -13.395 4.619 6.704 1.00 0.00 H +ATOM 993 HA SER A 58 -14.675 2.295 7.877 1.00 0.00 H +ATOM 994 HB2 SER A 58 -14.442 1.513 5.421 1.00 0.00 H +ATOM 995 HB3 SER A 58 -15.621 2.780 5.772 1.00 0.00 H +ATOM 996 HG SER A 58 -12.982 3.155 4.824 1.00 0.00 H +ATOM 997 N GLY A 59 -12.563 1.042 8.176 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.318 0.391 8.518 1.00 0.00 C +ATOM 999 C GLY A 59 -10.756 -0.498 7.433 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.837 -1.726 7.513 1.00 0.00 O +ATOM 1001 H GLY A 59 -13.391 0.725 8.596 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.585 1.152 8.743 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.473 -0.203 9.407 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.234 0.121 6.419 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.534 -0.549 5.367 1.00 0.00 C +ATOM 1006 C TYR A 60 -8.079 -0.227 5.500 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.716 0.879 5.914 1.00 0.00 O +ATOM 1008 CB TYR A 60 -10.052 -0.147 3.990 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.407 -0.715 3.665 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.569 -0.033 3.986 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.521 -1.941 3.030 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.805 -0.557 3.680 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.753 -2.472 2.723 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.889 -1.778 3.052 1.00 0.00 C +ATOM 1015 OH TYR A 60 -15.124 -2.306 2.747 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.328 1.098 6.392 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.679 -1.611 5.512 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.121 0.930 3.944 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.355 -0.487 3.238 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.495 0.925 4.480 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.624 -2.484 2.776 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.704 -0.016 3.935 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.819 -3.430 2.229 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.582 -1.644 2.212 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.255 -1.166 5.192 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.850 -1.025 5.368 1.00 0.00 C +ATOM 1027 C ARG A 61 -5.150 -1.307 4.062 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.650 -2.074 3.227 1.00 0.00 O +ATOM 1029 CB ARG A 61 -5.390 -2.004 6.437 1.00 0.00 C +ATOM 1030 CG ARG A 61 -6.129 -1.839 7.758 1.00 0.00 C +ATOM 1031 CD ARG A 61 -5.768 -2.922 8.727 1.00 0.00 C +ATOM 1032 NE ARG A 61 -4.354 -2.886 9.075 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -3.690 -3.848 9.715 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -4.335 -4.903 10.230 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -2.394 -3.724 9.874 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.581 -2.009 4.806 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.630 -0.021 5.699 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.555 -3.009 6.079 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -4.334 -1.861 6.616 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -5.870 -0.882 8.188 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -7.193 -1.874 7.568 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -6.376 -2.820 9.612 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -5.987 -3.864 8.249 1.00 0.00 H +ATOM 1044 HE ARG A 61 -3.886 -2.075 8.770 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -5.328 -5.004 10.158 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -3.856 -5.647 10.711 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -1.907 -2.920 9.533 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -1.835 -4.433 10.331 1.00 0.00 H +ATOM 1049 N LEU A 62 -4.033 -0.692 3.873 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.272 -0.870 2.678 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.808 -1.062 3.062 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.287 -0.332 3.907 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.514 0.349 1.749 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.929 0.316 0.325 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.629 1.344 -0.538 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.453 0.630 0.341 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.696 -0.078 4.564 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.624 -1.767 2.189 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.583 0.475 1.661 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.123 1.221 2.252 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.072 -0.661 -0.112 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -4.686 1.122 -0.578 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.222 1.300 -1.537 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.482 2.331 -0.124 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.076 0.660 -0.669 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -0.931 -0.134 0.899 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.309 1.590 0.814 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.179 -2.062 2.473 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.203 -2.405 2.752 1.00 0.00 C +ATOM 1070 C VAL A 63 1.019 -2.320 1.461 1.00 0.00 C +ATOM 1071 O VAL A 63 0.652 -2.929 0.427 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.327 -3.843 3.351 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.780 -4.191 3.654 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.520 -3.987 4.611 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.655 -2.587 1.789 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.589 -1.692 3.466 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.034 -4.544 2.615 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.177 -3.479 4.364 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.359 -4.152 2.744 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 1.834 -5.184 4.075 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.184 -3.276 5.352 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.421 -4.990 5.001 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -1.554 -3.795 4.370 1.00 0.00 H +ATOM 1084 N TYR A 64 2.100 -1.590 1.510 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.947 -1.393 0.358 1.00 0.00 C +ATOM 1086 C TYR A 64 4.404 -1.472 0.749 1.00 0.00 C +ATOM 1087 O TYR A 64 4.731 -1.304 1.910 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.649 -0.035 -0.315 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.792 1.205 0.566 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.035 1.682 0.964 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.678 1.905 0.969 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.150 2.811 1.738 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.783 3.035 1.740 1.00 0.00 C +ATOM 1094 CZ TYR A 64 3.024 3.486 2.123 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.137 4.612 2.900 1.00 0.00 O +ATOM 1096 H TYR A 64 2.357 -1.175 2.366 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.734 -2.179 -0.351 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.315 0.095 -1.154 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.633 -0.058 -0.680 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.921 1.145 0.658 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.704 1.549 0.668 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.127 3.162 2.035 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.887 3.561 2.030 1.00 0.00 H +ATOM 1104 HH TYR A 64 3.826 5.170 2.531 1.00 0.00 H +ATOM 1105 N GLN A 65 5.256 -1.740 -0.196 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.676 -1.718 0.047 1.00 0.00 C +ATOM 1107 C GLN A 65 7.271 -0.526 -0.664 1.00 0.00 C +ATOM 1108 O GLN A 65 6.834 -0.163 -1.758 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.379 -3.015 -0.383 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.283 -3.338 -1.873 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.138 -4.529 -2.289 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.788 -5.271 -3.211 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.288 -4.687 -1.677 1.00 0.00 N +ATOM 1114 H GLN A 65 4.930 -1.928 -1.105 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.822 -1.561 1.105 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.421 -2.930 -0.117 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.951 -3.837 0.172 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.252 -3.551 -2.116 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.607 -2.470 -2.427 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.554 -4.035 -0.989 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.845 -5.448 -1.934 1.00 0.00 H +ATOM 1122 N VAL A 66 8.202 0.114 -0.049 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.841 1.241 -0.658 1.00 0.00 C +ATOM 1124 C VAL A 66 10.159 0.817 -1.244 1.00 0.00 C +ATOM 1125 O VAL A 66 11.090 0.447 -0.518 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.047 2.412 0.342 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.820 3.560 -0.300 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.707 2.913 0.840 1.00 0.00 C +ATOM 1129 H VAL A 66 8.491 -0.190 0.842 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.206 1.581 -1.463 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.609 2.047 1.190 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 9.950 4.352 0.422 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 9.277 3.930 -1.157 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 10.787 3.197 -0.615 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.868 3.706 1.554 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.178 2.101 1.317 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 7.124 3.285 0.012 1.00 0.00 H +ATOM 1138 N ILE A 67 10.241 0.838 -2.545 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.462 0.516 -3.195 1.00 0.00 C +ATOM 1140 C ILE A 67 12.210 1.817 -3.350 1.00 0.00 C +ATOM 1141 O ILE A 67 11.988 2.584 -4.312 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.223 -0.109 -4.592 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.223 -1.273 -4.492 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.548 -0.597 -5.182 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.840 -1.866 -5.831 1.00 0.00 C +ATOM 1146 H ILE A 67 9.469 1.099 -3.096 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.026 -0.165 -2.576 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.815 0.651 -5.241 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.652 -2.060 -3.890 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.323 -0.916 -4.015 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 13.225 0.238 -5.286 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 12.369 -1.037 -6.151 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 12.984 -1.337 -4.528 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 9.147 -2.682 -5.682 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 10.729 -2.225 -6.329 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 9.376 -1.106 -6.442 1.00 0.00 H +ATOM 1157 N ASP A 68 13.076 2.089 -2.404 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.799 3.333 -2.366 1.00 0.00 C +ATOM 1159 C ASP A 68 14.832 3.381 -3.465 1.00 0.00 C +ATOM 1160 O ASP A 68 15.182 4.454 -3.943 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.440 3.551 -0.997 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.609 2.638 -0.702 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 15.388 1.455 -0.357 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 16.760 3.097 -0.803 1.00 0.00 O +ATOM 1165 H ASP A 68 13.225 1.449 -1.673 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.087 4.123 -2.543 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 14.793 4.566 -0.949 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 13.686 3.400 -0.239 1.00 0.00 H +ATOM 1169 N GLU A 69 15.261 2.202 -3.891 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.244 2.032 -4.970 1.00 0.00 C +ATOM 1171 C GLU A 69 15.716 2.647 -6.264 1.00 0.00 C +ATOM 1172 O GLU A 69 16.436 3.320 -6.997 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.408 0.545 -5.263 1.00 0.00 C +ATOM 1174 CG GLU A 69 16.648 -0.349 -4.071 1.00 0.00 C +ATOM 1175 CD GLU A 69 16.576 -1.797 -4.474 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 15.474 -2.320 -4.627 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 17.634 -2.427 -4.689 1.00 0.00 O +ATOM 1178 H GLU A 69 14.916 1.416 -3.418 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.200 2.443 -4.689 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.513 0.194 -5.753 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.235 0.423 -5.947 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 17.629 -0.143 -3.668 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 15.895 -0.159 -3.321 1.00 0.00 H +ATOM 1184 N LYS A 70 14.437 2.426 -6.506 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.803 2.819 -7.751 1.00 0.00 C +ATOM 1186 C LYS A 70 12.915 4.032 -7.581 1.00 0.00 C +ATOM 1187 O LYS A 70 12.348 4.530 -8.560 1.00 0.00 O +ATOM 1188 CB LYS A 70 13.006 1.645 -8.323 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.865 0.477 -8.775 1.00 0.00 C +ATOM 1190 CD LYS A 70 13.014 -0.694 -9.237 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.866 -1.823 -9.804 1.00 0.00 C +ATOM 1192 NZ LYS A 70 14.837 -2.353 -8.823 1.00 0.00 N +ATOM 1193 H LYS A 70 13.908 1.981 -5.811 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.587 3.061 -8.451 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.340 1.281 -7.557 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.426 1.987 -9.168 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.492 0.796 -9.594 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.486 0.157 -7.951 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 12.452 -1.074 -8.396 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.331 -0.353 -10.002 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 13.220 -2.628 -10.119 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 14.406 -1.445 -10.660 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 14.370 -2.675 -7.952 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 15.573 -1.656 -8.591 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 15.335 -3.168 -9.233 1.00 0.00 H +ATOM 1206 N VAL A 71 12.794 4.499 -6.340 1.00 0.00 N +ATOM 1207 CA VAL A 71 11.997 5.689 -5.996 1.00 0.00 C +ATOM 1208 C VAL A 71 10.489 5.405 -6.283 1.00 0.00 C +ATOM 1209 O VAL A 71 9.701 6.285 -6.616 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.527 6.977 -6.770 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 11.845 8.264 -6.306 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.043 7.117 -6.621 1.00 0.00 C +ATOM 1213 H VAL A 71 13.256 4.020 -5.620 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.106 5.838 -4.931 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.305 6.844 -7.820 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 12.257 9.105 -6.842 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.003 8.392 -5.245 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 10.787 8.189 -6.507 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.380 7.990 -7.159 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.529 6.239 -7.018 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.292 7.221 -5.576 1.00 0.00 H +ATOM 1222 N VAL A 72 10.085 4.174 -6.065 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.716 3.790 -6.332 1.00 0.00 C +ATOM 1224 C VAL A 72 8.136 3.000 -5.160 1.00 0.00 C +ATOM 1225 O VAL A 72 8.819 2.194 -4.533 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.571 3.005 -7.690 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.387 1.731 -7.697 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.109 2.701 -8.022 1.00 0.00 C +ATOM 1229 H VAL A 72 10.695 3.508 -5.679 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.154 4.709 -6.407 1.00 0.00 H +ATOM 1231 HB VAL A 72 8.967 3.641 -8.469 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 10.426 1.979 -7.539 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 9.268 1.242 -8.652 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 9.042 1.081 -6.907 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.549 3.622 -8.092 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.690 2.083 -7.242 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 7.058 2.174 -8.964 1.00 0.00 H +ATOM 1238 N VAL A 73 6.918 3.293 -4.851 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.179 2.652 -3.817 1.00 0.00 C +ATOM 1240 C VAL A 73 5.276 1.605 -4.464 1.00 0.00 C +ATOM 1241 O VAL A 73 4.475 1.924 -5.341 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.342 3.699 -3.048 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.489 3.053 -1.994 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.249 4.750 -2.420 1.00 0.00 C +ATOM 1245 H VAL A 73 6.449 3.989 -5.363 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.871 2.175 -3.139 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.699 4.200 -3.757 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 3.919 3.810 -1.477 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 5.120 2.533 -1.288 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.813 2.349 -2.456 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 5.655 5.448 -1.849 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 6.769 5.280 -3.205 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 6.971 4.271 -1.777 1.00 0.00 H +ATOM 1254 N PHE A 74 5.422 0.389 -4.044 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.743 -0.732 -4.640 1.00 0.00 C +ATOM 1256 C PHE A 74 3.679 -1.282 -3.682 1.00 0.00 C +ATOM 1257 O PHE A 74 4.006 -1.843 -2.639 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.808 -1.793 -4.947 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.340 -3.006 -5.678 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 5.226 -2.986 -7.047 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 5.044 -4.176 -5.000 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.824 -4.101 -7.733 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.643 -5.300 -5.683 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.533 -5.261 -7.054 1.00 0.00 C +ATOM 1265 H PHE A 74 6.007 0.215 -3.273 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.287 -0.423 -5.568 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.585 -1.342 -5.546 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.240 -2.114 -4.011 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 5.452 -2.077 -7.582 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.130 -4.201 -3.924 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.743 -4.060 -8.808 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.415 -6.210 -5.146 1.00 0.00 H +ATOM 1273 HZ PHE A 74 4.220 -6.139 -7.599 1.00 0.00 H +ATOM 1274 N VAL A 75 2.422 -1.098 -4.029 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.309 -1.588 -3.223 1.00 0.00 C +ATOM 1276 C VAL A 75 1.127 -3.076 -3.453 1.00 0.00 C +ATOM 1277 O VAL A 75 1.028 -3.528 -4.603 1.00 0.00 O +ATOM 1278 CB VAL A 75 -0.012 -0.833 -3.541 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.181 -1.373 -2.715 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.160 0.659 -3.304 1.00 0.00 C +ATOM 1281 H VAL A 75 2.238 -0.621 -4.870 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.562 -1.438 -2.185 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.242 -0.985 -4.585 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.330 -2.417 -2.950 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -2.082 -0.822 -2.942 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -0.954 -1.275 -1.664 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 -0.767 1.168 -3.524 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 0.940 1.034 -3.950 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.434 0.834 -2.275 1.00 0.00 H +ATOM 1290 N ILE A 76 1.090 -3.838 -2.375 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.002 -5.278 -2.495 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.364 -5.784 -2.025 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.975 -6.639 -2.669 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.084 -5.979 -1.640 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.452 -5.313 -1.820 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.174 -7.446 -2.046 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.510 -5.833 -0.870 1.00 0.00 C +ATOM 1298 H ILE A 76 1.121 -3.422 -1.485 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.155 -5.551 -3.529 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.794 -5.927 -0.600 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 3.796 -5.496 -2.827 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.353 -4.248 -1.665 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 1.255 -7.954 -1.791 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 3.017 -7.905 -1.551 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 2.327 -7.502 -3.114 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 4.634 -6.895 -1.016 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.204 -5.649 0.150 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 5.449 -5.334 -1.057 1.00 0.00 H +ATOM 1309 N SER A 77 -0.850 -5.245 -0.928 1.00 0.00 N +ATOM 1310 CA SER A 77 -2.093 -5.706 -0.350 1.00 0.00 C +ATOM 1311 C SER A 77 -2.973 -4.527 0.016 1.00 0.00 C +ATOM 1312 O SER A 77 -2.478 -3.498 0.487 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.807 -6.563 0.890 1.00 0.00 C +ATOM 1314 OG SER A 77 -0.994 -7.691 0.566 1.00 0.00 O +ATOM 1315 H SER A 77 -0.387 -4.506 -0.479 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.600 -6.317 -1.083 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.286 -5.963 1.622 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.737 -6.913 1.310 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.520 -7.958 1.365 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.252 -4.662 -0.220 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.204 -3.628 0.080 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.570 -4.250 0.425 1.00 0.00 C +ATOM 1323 O VAL A 78 -7.003 -5.225 -0.212 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.313 -2.592 -1.093 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.763 -3.236 -2.391 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.212 -1.429 -0.732 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.603 -5.502 -0.591 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.843 -3.119 0.962 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.318 -2.206 -1.268 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -6.737 -3.681 -2.250 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.058 -4.002 -2.675 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -5.820 -2.488 -3.167 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.818 -0.939 0.145 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -7.211 -1.788 -0.536 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.230 -0.729 -1.554 1.00 0.00 H +ATOM 1336 N GLY A 79 -7.195 -3.749 1.460 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.497 -4.225 1.840 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.594 -4.338 3.323 1.00 0.00 C +ATOM 1339 O GLY A 79 -7.996 -3.544 4.038 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.762 -3.067 2.025 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -9.247 -3.538 1.477 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.658 -5.199 1.405 1.00 0.00 H +ATOM 1343 N LYS A 80 -9.324 -5.290 3.803 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.400 -5.496 5.222 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.402 -6.550 5.628 1.00 0.00 C +ATOM 1346 O LYS A 80 -8.202 -7.542 4.907 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.796 -5.922 5.670 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.904 -4.924 5.375 1.00 0.00 C +ATOM 1349 CD LYS A 80 -13.247 -5.418 5.906 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.258 -5.490 7.432 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -14.504 -6.072 7.965 1.00 0.00 N +ATOM 1352 H LYS A 80 -9.813 -5.881 3.191 1.00 0.00 H +ATOM 1353 HA LYS A 80 -9.143 -4.564 5.704 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -11.049 -6.854 5.189 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.758 -6.081 6.737 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.664 -3.981 5.844 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.975 -4.786 4.306 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -14.020 -4.741 5.578 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.434 -6.403 5.504 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -12.437 -6.104 7.770 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -13.145 -4.490 7.822 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -15.339 -5.525 7.676 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -14.465 -6.087 9.004 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -14.614 -7.058 7.655 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.767 -6.332 6.742 1.00 0.00 N +ATOM 1366 CA ALA A 81 -6.842 -7.281 7.285 1.00 0.00 C +ATOM 1367 C ALA A 81 -7.453 -7.854 8.527 1.00 0.00 C +ATOM 1368 O ALA A 81 -7.473 -7.195 9.581 1.00 0.00 O +ATOM 1369 CB ALA A 81 -5.521 -6.618 7.607 1.00 0.00 C +ATOM 1370 H ALA A 81 -7.936 -5.508 7.245 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.683 -8.067 6.562 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -4.826 -7.358 7.976 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -5.676 -5.876 8.376 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -5.118 -6.152 6.721 1.00 0.00 H +ATOM 1375 N GLU A 82 -7.988 -9.024 8.429 1.00 0.00 N +ATOM 1376 CA GLU A 82 -8.713 -9.581 9.539 1.00 0.00 C +ATOM 1377 C GLU A 82 -8.005 -10.788 10.109 1.00 0.00 C +ATOM 1378 O GLU A 82 -7.990 -10.995 11.315 1.00 0.00 O +ATOM 1379 CB GLU A 82 -10.162 -9.878 9.141 1.00 0.00 C +ATOM 1380 CG GLU A 82 -10.857 -8.650 8.557 1.00 0.00 C +ATOM 1381 CD GLU A 82 -12.336 -8.814 8.355 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -12.754 -9.331 7.315 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -13.111 -8.373 9.231 1.00 0.00 O +ATOM 1384 H GLU A 82 -7.868 -9.545 7.598 1.00 0.00 H +ATOM 1385 HA GLU A 82 -8.722 -8.821 10.309 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -10.168 -10.665 8.403 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -10.714 -10.197 10.012 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -10.691 -7.812 9.216 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -10.400 -8.430 7.603 1.00 0.00 H +ATOM 1390 N ALA A 83 -7.364 -11.541 9.256 1.00 0.00 N +ATOM 1391 CA ALA A 83 -6.635 -12.717 9.676 1.00 0.00 C +ATOM 1392 C ALA A 83 -5.130 -12.458 9.631 1.00 0.00 C +ATOM 1393 O ALA A 83 -4.335 -13.386 9.785 1.00 0.00 O +ATOM 1394 CB ALA A 83 -6.999 -13.898 8.785 1.00 0.00 C +ATOM 1395 H ALA A 83 -7.380 -11.321 8.292 1.00 0.00 H +ATOM 1396 HA ALA A 83 -6.929 -12.951 10.690 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -6.486 -14.783 9.134 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -6.699 -13.687 7.769 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -8.065 -14.062 8.817 1.00 0.00 H +ATOM 1400 N SER A 84 -4.753 -11.180 9.405 1.00 0.00 N +ATOM 1401 CA SER A 84 -3.338 -10.748 9.291 1.00 0.00 C +ATOM 1402 C SER A 84 -2.706 -11.359 8.031 1.00 0.00 C +ATOM 1403 O SER A 84 -1.488 -11.451 7.869 1.00 0.00 O +ATOM 1404 CB SER A 84 -2.563 -11.102 10.566 1.00 0.00 C +ATOM 1405 OG SER A 84 -3.174 -10.481 11.708 1.00 0.00 O +ATOM 1406 H SER A 84 -5.458 -10.508 9.300 1.00 0.00 H +ATOM 1407 HA SER A 84 -3.353 -9.676 9.157 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -2.573 -12.173 10.701 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -1.543 -10.757 10.485 1.00 0.00 H +ATOM 1410 HG SER A 84 -3.518 -11.206 12.247 1.00 0.00 H +ATOM 1411 N GLU A 85 -3.582 -11.638 7.118 1.00 0.00 N +ATOM 1412 CA GLU A 85 -3.329 -12.265 5.867 1.00 0.00 C +ATOM 1413 C GLU A 85 -2.536 -11.341 4.949 1.00 0.00 C +ATOM 1414 O GLU A 85 -1.614 -11.782 4.260 1.00 0.00 O +ATOM 1415 CB GLU A 85 -4.682 -12.673 5.214 1.00 0.00 C +ATOM 1416 CG GLU A 85 -5.676 -11.518 4.905 1.00 0.00 C +ATOM 1417 CD GLU A 85 -6.217 -10.788 6.131 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -5.523 -9.916 6.670 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -7.323 -11.100 6.596 1.00 0.00 O +ATOM 1420 H GLU A 85 -4.503 -11.342 7.294 1.00 0.00 H +ATOM 1421 HA GLU A 85 -2.762 -13.164 6.040 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -4.462 -13.172 4.283 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -5.175 -13.375 5.869 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -5.149 -10.797 4.298 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -6.502 -11.929 4.346 1.00 0.00 H +ATOM 1426 N VAL A 86 -2.851 -10.047 5.017 1.00 0.00 N +ATOM 1427 CA VAL A 86 -2.239 -9.031 4.156 1.00 0.00 C +ATOM 1428 C VAL A 86 -0.716 -8.967 4.288 1.00 0.00 C +ATOM 1429 O VAL A 86 -0.033 -8.576 3.342 1.00 0.00 O +ATOM 1430 CB VAL A 86 -2.836 -7.613 4.381 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -4.327 -7.596 4.065 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -2.577 -7.124 5.802 1.00 0.00 C +ATOM 1433 H VAL A 86 -3.548 -9.787 5.663 1.00 0.00 H +ATOM 1434 HA VAL A 86 -2.459 -9.323 3.139 1.00 0.00 H +ATOM 1435 HB VAL A 86 -2.346 -6.938 3.693 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -4.483 -7.872 3.032 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -4.720 -6.605 4.235 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -4.836 -8.300 4.706 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -1.514 -7.090 5.984 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -3.041 -7.800 6.505 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -2.996 -6.135 5.925 1.00 0.00 H +ATOM 1442 N TYR A 87 -0.194 -9.365 5.446 1.00 0.00 N +ATOM 1443 CA TYR A 87 1.243 -9.335 5.679 1.00 0.00 C +ATOM 1444 C TYR A 87 1.887 -10.513 4.976 1.00 0.00 C +ATOM 1445 O TYR A 87 2.844 -10.362 4.211 1.00 0.00 O +ATOM 1446 CB TYR A 87 1.570 -9.442 7.169 1.00 0.00 C +ATOM 1447 CG TYR A 87 0.930 -8.416 8.071 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 1.311 -7.085 8.038 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 -0.027 -8.799 8.991 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 0.750 -6.168 8.903 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 -0.597 -7.891 9.850 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -0.204 -6.579 9.806 1.00 0.00 C +ATOM 1453 OH TYR A 87 -0.761 -5.672 10.682 1.00 0.00 O +ATOM 1454 H TYR A 87 -0.797 -9.702 6.141 1.00 0.00 H +ATOM 1455 HA TYR A 87 1.643 -8.412 5.289 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 1.250 -10.412 7.518 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 2.641 -9.371 7.288 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 2.057 -6.772 7.323 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 -0.332 -9.833 9.022 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 1.055 -5.133 8.868 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 -1.344 -8.215 10.558 1.00 0.00 H +ATOM 1462 HH TYR A 87 -0.777 -6.101 11.549 1.00 0.00 H +ATOM 1463 N SER A 88 1.327 -11.679 5.225 1.00 0.00 N +ATOM 1464 CA SER A 88 1.820 -12.926 4.701 1.00 0.00 C +ATOM 1465 C SER A 88 1.762 -12.948 3.174 1.00 0.00 C +ATOM 1466 O SER A 88 2.727 -13.349 2.517 1.00 0.00 O +ATOM 1467 CB SER A 88 1.003 -14.051 5.305 1.00 0.00 C +ATOM 1468 OG SER A 88 0.979 -13.906 6.719 1.00 0.00 O +ATOM 1469 H SER A 88 0.538 -11.732 5.805 1.00 0.00 H +ATOM 1470 HA SER A 88 2.846 -13.042 5.018 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -0.006 -14.010 4.922 1.00 0.00 H +ATOM 1472 HB3 SER A 88 1.451 -15.002 5.059 1.00 0.00 H +ATOM 1473 HG SER A 88 0.368 -14.563 7.074 1.00 0.00 H +ATOM 1474 N GLU A 89 0.661 -12.462 2.614 1.00 0.00 N +ATOM 1475 CA GLU A 89 0.506 -12.418 1.167 1.00 0.00 C +ATOM 1476 C GLU A 89 1.510 -11.449 0.555 1.00 0.00 C +ATOM 1477 O GLU A 89 1.978 -11.644 -0.565 1.00 0.00 O +ATOM 1478 CB GLU A 89 -0.897 -11.988 0.773 1.00 0.00 C +ATOM 1479 CG GLU A 89 -2.013 -12.844 1.329 1.00 0.00 C +ATOM 1480 CD GLU A 89 -3.354 -12.427 0.790 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -3.727 -11.254 0.924 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -4.038 -13.261 0.173 1.00 0.00 O +ATOM 1483 H GLU A 89 -0.073 -12.140 3.186 1.00 0.00 H +ATOM 1484 HA GLU A 89 0.695 -13.409 0.782 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -1.055 -10.977 1.117 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -0.968 -11.997 -0.304 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -1.830 -13.874 1.060 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -2.025 -12.749 2.405 1.00 0.00 H +ATOM 1489 N ALA A 90 1.858 -10.424 1.314 1.00 0.00 N +ATOM 1490 CA ALA A 90 2.780 -9.417 0.854 1.00 0.00 C +ATOM 1491 C ALA A 90 4.193 -9.965 0.791 1.00 0.00 C +ATOM 1492 O ALA A 90 4.834 -9.921 -0.261 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.718 -8.172 1.727 1.00 0.00 C +ATOM 1494 H ALA A 90 1.485 -10.362 2.218 1.00 0.00 H +ATOM 1495 HA ALA A 90 2.469 -9.149 -0.144 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 3.369 -7.411 1.323 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 3.035 -8.421 2.729 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 1.703 -7.803 1.754 1.00 0.00 H +ATOM 1499 N VAL A 91 4.661 -10.532 1.897 1.00 0.00 N +ATOM 1500 CA VAL A 91 6.022 -11.049 1.969 1.00 0.00 C +ATOM 1501 C VAL A 91 6.238 -12.205 0.973 1.00 0.00 C +ATOM 1502 O VAL A 91 7.276 -12.290 0.321 1.00 0.00 O +ATOM 1503 CB VAL A 91 6.436 -11.453 3.431 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 5.597 -12.595 3.985 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 7.923 -11.766 3.524 1.00 0.00 C +ATOM 1506 H VAL A 91 4.071 -10.594 2.682 1.00 0.00 H +ATOM 1507 HA VAL A 91 6.662 -10.241 1.643 1.00 0.00 H +ATOM 1508 HB VAL A 91 6.239 -10.596 4.059 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 5.725 -13.471 3.364 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 4.557 -12.306 3.981 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 5.907 -12.820 4.996 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 8.157 -12.585 2.861 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 8.171 -12.043 4.538 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 8.496 -10.896 3.238 1.00 0.00 H +ATOM 1515 N LYS A 92 5.216 -13.028 0.794 1.00 0.00 N +ATOM 1516 CA LYS A 92 5.288 -14.159 -0.124 1.00 0.00 C +ATOM 1517 C LYS A 92 5.160 -13.722 -1.585 1.00 0.00 C +ATOM 1518 O LYS A 92 5.349 -14.525 -2.505 1.00 0.00 O +ATOM 1519 CB LYS A 92 4.262 -15.239 0.236 1.00 0.00 C +ATOM 1520 CG LYS A 92 4.505 -15.902 1.599 1.00 0.00 C +ATOM 1521 CD LYS A 92 5.877 -16.586 1.678 1.00 0.00 C +ATOM 1522 CE LYS A 92 6.009 -17.746 0.692 1.00 0.00 C +ATOM 1523 NZ LYS A 92 5.048 -18.830 0.982 1.00 0.00 N +ATOM 1524 H LYS A 92 4.389 -12.882 1.306 1.00 0.00 H +ATOM 1525 HA LYS A 92 6.277 -14.576 -0.012 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 3.283 -14.784 0.258 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 4.273 -16.007 -0.523 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 4.450 -15.146 2.368 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 3.734 -16.639 1.770 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 6.658 -15.867 1.484 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 6.002 -16.969 2.680 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 5.836 -17.382 -0.310 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 7.013 -18.141 0.754 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 5.235 -19.249 1.915 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 5.129 -19.608 0.295 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 4.065 -18.494 0.976 1.00 0.00 H +ATOM 1537 N ARG A 93 4.789 -12.473 -1.790 1.00 0.00 N +ATOM 1538 CA ARG A 93 4.730 -11.903 -3.119 1.00 0.00 C +ATOM 1539 C ARG A 93 6.102 -11.362 -3.494 1.00 0.00 C +ATOM 1540 O ARG A 93 6.517 -11.410 -4.658 1.00 0.00 O +ATOM 1541 CB ARG A 93 3.654 -10.801 -3.198 1.00 0.00 C +ATOM 1542 CG ARG A 93 3.523 -10.113 -4.555 1.00 0.00 C +ATOM 1543 CD ARG A 93 3.171 -11.095 -5.663 1.00 0.00 C +ATOM 1544 NE ARG A 93 3.021 -10.418 -6.952 1.00 0.00 N +ATOM 1545 CZ ARG A 93 3.076 -10.997 -8.152 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 3.332 -12.289 -8.269 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 2.886 -10.256 -9.225 1.00 0.00 N +ATOM 1548 H ARG A 93 4.539 -11.917 -1.020 1.00 0.00 H +ATOM 1549 HA ARG A 93 4.485 -12.696 -3.804 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 2.696 -11.237 -2.956 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 3.885 -10.050 -2.456 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 2.748 -9.364 -4.497 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 4.463 -9.636 -4.794 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 3.960 -11.826 -5.741 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 2.242 -11.588 -5.414 1.00 0.00 H +ATOM 1556 HE ARG A 93 2.848 -9.443 -6.929 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 3.498 -12.871 -7.469 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 3.365 -12.754 -9.157 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 2.702 -9.273 -9.105 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 2.903 -10.599 -10.170 1.00 0.00 H +ATOM 1561 N ILE A 94 6.805 -10.890 -2.499 1.00 0.00 N +ATOM 1562 CA ILE A 94 8.131 -10.333 -2.673 1.00 0.00 C +ATOM 1563 C ILE A 94 9.150 -11.458 -2.811 1.00 0.00 C +ATOM 1564 O ILE A 94 9.963 -11.464 -3.744 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.502 -9.454 -1.460 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 7.438 -8.379 -1.271 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 9.882 -8.815 -1.654 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 7.547 -7.641 0.031 1.00 0.00 C +ATOM 1569 H ILE A 94 6.410 -10.910 -1.601 1.00 0.00 H +ATOM 1570 HA ILE A 94 8.140 -9.724 -3.564 1.00 0.00 H +ATOM 1571 HB ILE A 94 8.530 -10.076 -0.579 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 7.522 -7.654 -2.066 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 6.462 -8.841 -1.312 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 10.121 -8.203 -0.797 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 9.872 -8.201 -2.542 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 10.626 -9.590 -1.762 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 8.506 -7.151 0.093 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 7.434 -8.362 0.827 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 6.749 -6.917 0.086 1.00 0.00 H +ATOM 1580 N LEU A 95 9.083 -12.402 -1.895 1.00 0.00 N +ATOM 1581 CA LEU A 95 9.984 -13.536 -1.860 1.00 0.00 C +ATOM 1582 C LEU A 95 9.647 -14.512 -2.959 1.00 0.00 C +ATOM 1583 O LEU A 95 10.494 -14.752 -3.842 1.00 0.00 O +ATOM 1584 CB LEU A 95 9.938 -14.240 -0.504 1.00 0.00 C +ATOM 1585 CG LEU A 95 10.361 -13.418 0.714 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 10.264 -14.260 1.972 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 11.773 -12.877 0.541 1.00 0.00 C +ATOM 1588 OXT LEU A 95 8.511 -15.008 -2.988 1.00 0.00 O +ATOM 1589 H LEU A 95 8.380 -12.355 -1.209 1.00 0.00 H +ATOM 1590 HA LEU A 95 10.986 -13.167 -2.025 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 8.926 -14.581 -0.340 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 10.579 -15.106 -0.563 1.00 0.00 H +ATOM 1593 HG LEU A 95 9.686 -12.583 0.822 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 10.911 -15.121 1.882 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 9.245 -14.589 2.110 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 10.568 -13.669 2.823 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 12.056 -12.331 1.428 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 11.802 -12.210 -0.309 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 12.460 -13.695 0.383 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 5 +ATOM 1 N MET A 1 11.222 15.419 -2.426 1.00 0.00 N +ATOM 2 CA MET A 1 11.152 14.569 -3.604 1.00 0.00 C +ATOM 3 C MET A 1 10.014 13.597 -3.449 1.00 0.00 C +ATOM 4 O MET A 1 9.766 13.091 -2.351 1.00 0.00 O +ATOM 5 CB MET A 1 12.478 13.808 -3.855 1.00 0.00 C +ATOM 6 CG MET A 1 12.874 12.805 -2.770 1.00 0.00 C +ATOM 7 SD MET A 1 14.447 11.981 -3.114 1.00 0.00 S +ATOM 8 CE MET A 1 14.080 11.130 -4.648 1.00 0.00 C +ATOM 9 H MET A 1 11.985 16.119 -2.491 1.00 0.00 H +ATOM 10 HA MET A 1 10.942 15.210 -4.446 1.00 0.00 H +ATOM 11 HB2 MET A 1 12.383 13.265 -4.784 1.00 0.00 H +ATOM 12 HB3 MET A 1 13.279 14.525 -3.961 1.00 0.00 H +ATOM 13 HG2 MET A 1 12.953 13.321 -1.825 1.00 0.00 H +ATOM 14 HG3 MET A 1 12.101 12.055 -2.699 1.00 0.00 H +ATOM 15 HE1 MET A 1 14.941 10.556 -4.956 1.00 0.00 H +ATOM 16 HE2 MET A 1 13.846 11.853 -5.417 1.00 0.00 H +ATOM 17 HE3 MET A 1 13.239 10.469 -4.503 1.00 0.00 H +ATOM 18 N ALA A 2 9.308 13.368 -4.517 1.00 0.00 N +ATOM 19 CA ALA A 2 8.204 12.464 -4.511 1.00 0.00 C +ATOM 20 C ALA A 2 8.650 11.125 -5.045 1.00 0.00 C +ATOM 21 O ALA A 2 9.600 11.038 -5.839 1.00 0.00 O +ATOM 22 CB ALA A 2 7.057 13.017 -5.343 1.00 0.00 C +ATOM 23 H ALA A 2 9.541 13.815 -5.360 1.00 0.00 H +ATOM 24 HA ALA A 2 7.864 12.347 -3.492 1.00 0.00 H +ATOM 25 HB1 ALA A 2 7.384 13.136 -6.365 1.00 0.00 H +ATOM 26 HB2 ALA A 2 6.755 13.976 -4.949 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.222 12.333 -5.309 1.00 0.00 H +ATOM 28 N TYR A 3 8.012 10.100 -4.592 1.00 0.00 N +ATOM 29 CA TYR A 3 8.286 8.762 -5.038 1.00 0.00 C +ATOM 30 C TYR A 3 7.191 8.360 -6.000 1.00 0.00 C +ATOM 31 O TYR A 3 6.126 8.973 -6.009 1.00 0.00 O +ATOM 32 CB TYR A 3 8.344 7.785 -3.844 1.00 0.00 C +ATOM 33 CG TYR A 3 9.458 8.063 -2.831 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.461 9.230 -2.078 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.500 7.155 -2.628 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.444 9.497 -1.160 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.499 7.417 -1.694 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.460 8.596 -0.966 1.00 0.00 C +ATOM 39 OH TYR A 3 12.432 8.872 -0.028 1.00 0.00 O +ATOM 40 H TYR A 3 7.311 10.243 -3.919 1.00 0.00 H +ATOM 41 HA TYR A 3 9.235 8.764 -5.552 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.406 7.833 -3.310 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.480 6.783 -4.222 1.00 0.00 H +ATOM 44 HD1 TYR A 3 8.662 9.943 -2.224 1.00 0.00 H +ATOM 45 HD2 TYR A 3 10.526 6.238 -3.200 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.411 10.415 -0.594 1.00 0.00 H +ATOM 47 HE2 TYR A 3 12.300 6.709 -1.545 1.00 0.00 H +ATOM 48 HH TYR A 3 13.301 8.680 -0.410 1.00 0.00 H +ATOM 49 N PHE A 4 7.449 7.380 -6.815 1.00 0.00 N +ATOM 50 CA PHE A 4 6.464 6.893 -7.767 1.00 0.00 C +ATOM 51 C PHE A 4 5.501 5.951 -7.077 1.00 0.00 C +ATOM 52 O PHE A 4 5.800 5.448 -6.012 1.00 0.00 O +ATOM 53 CB PHE A 4 7.158 6.187 -8.932 1.00 0.00 C +ATOM 54 CG PHE A 4 7.948 7.104 -9.813 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.320 7.809 -10.821 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.312 7.260 -9.639 1.00 0.00 C +ATOM 57 CE1 PHE A 4 8.031 8.653 -11.641 1.00 0.00 C +ATOM 58 CE2 PHE A 4 10.030 8.104 -10.458 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.384 8.803 -11.460 1.00 0.00 C +ATOM 60 H PHE A 4 8.332 6.946 -6.779 1.00 0.00 H +ATOM 61 HA PHE A 4 5.916 7.744 -8.146 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.847 5.462 -8.526 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.428 5.671 -9.537 1.00 0.00 H +ATOM 64 HD1 PHE A 4 6.256 7.694 -10.963 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.815 6.713 -8.856 1.00 0.00 H +ATOM 66 HE1 PHE A 4 7.527 9.197 -12.426 1.00 0.00 H +ATOM 67 HE2 PHE A 4 11.093 8.221 -10.313 1.00 0.00 H +ATOM 68 HZ PHE A 4 9.939 9.467 -12.107 1.00 0.00 H +ATOM 69 N LEU A 5 4.354 5.732 -7.660 1.00 0.00 N +ATOM 70 CA LEU A 5 3.374 4.823 -7.091 1.00 0.00 C +ATOM 71 C LEU A 5 3.003 3.786 -8.153 1.00 0.00 C +ATOM 72 O LEU A 5 2.673 4.147 -9.297 1.00 0.00 O +ATOM 73 CB LEU A 5 2.117 5.625 -6.632 1.00 0.00 C +ATOM 74 CG LEU A 5 1.144 4.972 -5.595 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.483 3.706 -6.095 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.843 4.704 -4.281 1.00 0.00 C +ATOM 77 H LEU A 5 4.140 6.203 -8.495 1.00 0.00 H +ATOM 78 HA LEU A 5 3.820 4.328 -6.241 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.460 6.559 -6.214 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.548 5.857 -7.521 1.00 0.00 H +ATOM 81 HG LEU A 5 0.352 5.679 -5.398 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.144 3.925 -6.946 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.101 3.281 -5.292 1.00 0.00 H +ATOM 84 HD13 LEU A 5 1.251 3.000 -6.379 1.00 0.00 H +ATOM 85 HD21 LEU A 5 1.168 4.186 -3.619 1.00 0.00 H +ATOM 86 HD22 LEU A 5 2.133 5.638 -3.823 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.716 4.092 -4.451 1.00 0.00 H +ATOM 88 N ASP A 6 3.087 2.524 -7.802 1.00 0.00 N +ATOM 89 CA ASP A 6 2.708 1.455 -8.712 1.00 0.00 C +ATOM 90 C ASP A 6 1.950 0.389 -7.944 1.00 0.00 C +ATOM 91 O ASP A 6 2.107 0.266 -6.728 1.00 0.00 O +ATOM 92 CB ASP A 6 3.938 0.854 -9.405 1.00 0.00 C +ATOM 93 CG ASP A 6 3.577 -0.114 -10.516 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.769 0.260 -11.410 1.00 0.00 O +ATOM 95 OD2 ASP A 6 4.104 -1.227 -10.543 1.00 0.00 O +ATOM 96 H ASP A 6 3.408 2.285 -6.901 1.00 0.00 H +ATOM 97 HA ASP A 6 2.048 1.878 -9.453 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.562 1.637 -9.810 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.484 0.307 -8.653 1.00 0.00 H +ATOM 100 N PHE A 7 1.130 -0.356 -8.626 1.00 0.00 N +ATOM 101 CA PHE A 7 0.301 -1.371 -7.994 1.00 0.00 C +ATOM 102 C PHE A 7 0.670 -2.752 -8.497 1.00 0.00 C +ATOM 103 O PHE A 7 1.005 -2.929 -9.678 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.190 -1.150 -8.305 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.802 0.128 -7.795 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -2.389 0.174 -6.543 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -1.822 1.269 -8.582 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.981 1.335 -6.083 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.409 2.432 -8.127 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.990 2.465 -6.876 1.00 0.00 C +ATOM 111 H PHE A 7 1.105 -0.238 -9.598 1.00 0.00 H +ATOM 112 HA PHE A 7 0.441 -1.319 -6.926 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.320 -1.155 -9.377 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.747 -1.978 -7.892 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -2.377 -0.708 -5.921 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -1.367 1.244 -9.562 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -3.436 1.358 -5.104 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -2.413 3.315 -8.749 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.452 3.374 -6.520 1.00 0.00 H +ATOM 120 N ASP A 8 0.623 -3.711 -7.616 1.00 0.00 N +ATOM 121 CA ASP A 8 0.796 -5.110 -7.971 1.00 0.00 C +ATOM 122 C ASP A 8 -0.484 -5.627 -8.613 1.00 0.00 C +ATOM 123 O ASP A 8 -1.559 -5.050 -8.397 1.00 0.00 O +ATOM 124 CB ASP A 8 1.140 -5.966 -6.747 1.00 0.00 C +ATOM 125 CG ASP A 8 1.351 -7.415 -7.118 1.00 0.00 C +ATOM 126 OD1 ASP A 8 2.413 -7.751 -7.692 1.00 0.00 O +ATOM 127 OD2 ASP A 8 0.440 -8.224 -6.914 1.00 0.00 O +ATOM 128 H ASP A 8 0.492 -3.491 -6.666 1.00 0.00 H +ATOM 129 HA ASP A 8 1.596 -5.177 -8.694 1.00 0.00 H +ATOM 130 HB2 ASP A 8 2.045 -5.593 -6.293 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.329 -5.909 -6.036 1.00 0.00 H +ATOM 132 N GLU A 9 -0.372 -6.679 -9.414 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.510 -7.290 -10.078 1.00 0.00 C +ATOM 134 C GLU A 9 -2.612 -7.652 -9.063 1.00 0.00 C +ATOM 135 O GLU A 9 -3.795 -7.481 -9.360 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.077 -8.554 -10.841 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.500 -9.642 -9.948 1.00 0.00 C +ATOM 138 CD GLU A 9 -0.182 -10.911 -10.674 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -1.091 -11.727 -10.891 1.00 0.00 O +ATOM 140 OE2 GLU A 9 0.987 -11.134 -11.020 1.00 0.00 O +ATOM 141 H GLU A 9 0.519 -7.065 -9.546 1.00 0.00 H +ATOM 142 HA GLU A 9 -1.908 -6.577 -10.784 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -1.937 -8.961 -11.352 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.329 -8.281 -11.571 1.00 0.00 H +ATOM 145 HG2 GLU A 9 0.410 -9.274 -9.497 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -1.217 -9.855 -9.168 1.00 0.00 H +ATOM 147 N ARG A 10 -2.219 -8.106 -7.856 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.186 -8.467 -6.822 1.00 0.00 C +ATOM 149 C ARG A 10 -3.844 -7.222 -6.300 1.00 0.00 C +ATOM 150 O ARG A 10 -5.064 -7.150 -6.177 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.531 -9.186 -5.643 1.00 0.00 C +ATOM 152 CG ARG A 10 -1.811 -10.473 -5.976 1.00 0.00 C +ATOM 153 CD ARG A 10 -1.319 -11.128 -4.700 1.00 0.00 C +ATOM 154 NE ARG A 10 -0.534 -12.346 -4.940 1.00 0.00 N +ATOM 155 CZ ARG A 10 -0.351 -13.318 -4.033 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -1.081 -13.343 -2.920 1.00 0.00 N +ATOM 157 NH2 ARG A 10 0.508 -14.304 -4.275 1.00 0.00 N +ATOM 158 H ARG A 10 -1.255 -8.190 -7.653 1.00 0.00 H +ATOM 159 HA ARG A 10 -3.931 -9.113 -7.263 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.812 -8.518 -5.193 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.297 -9.403 -4.915 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -2.495 -11.135 -6.485 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -0.966 -10.254 -6.613 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -0.706 -10.421 -4.160 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -2.180 -11.381 -4.099 1.00 0.00 H +ATOM 166 HE ARG A 10 -0.094 -12.383 -5.821 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -1.796 -12.660 -2.711 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -0.947 -14.055 -2.226 1.00 0.00 H +ATOM 169 HH21 ARG A 10 1.032 -14.361 -5.128 1.00 0.00 H +ATOM 170 HH22 ARG A 10 0.693 -15.036 -3.610 1.00 0.00 H +ATOM 171 N ALA A 11 -3.020 -6.219 -6.053 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.463 -4.950 -5.511 1.00 0.00 C +ATOM 173 C ALA A 11 -4.487 -4.285 -6.411 1.00 0.00 C +ATOM 174 O ALA A 11 -5.393 -3.644 -5.929 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.283 -4.029 -5.278 1.00 0.00 C +ATOM 176 H ALA A 11 -2.068 -6.346 -6.248 1.00 0.00 H +ATOM 177 HA ALA A 11 -3.925 -5.153 -4.557 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.567 -4.506 -4.626 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -2.627 -3.109 -4.828 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -1.812 -3.811 -6.226 1.00 0.00 H +ATOM 181 N LEU A 12 -4.360 -4.487 -7.716 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.282 -3.900 -8.672 1.00 0.00 C +ATOM 183 C LEU A 12 -6.648 -4.535 -8.591 1.00 0.00 C +ATOM 184 O LEU A 12 -7.667 -3.854 -8.704 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.735 -4.001 -10.083 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.628 -3.021 -10.447 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.077 -3.350 -11.820 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.165 -1.589 -10.430 1.00 0.00 C +ATOM 189 H LEU A 12 -3.631 -5.058 -8.042 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.385 -2.856 -8.418 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.358 -5.004 -10.219 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.561 -3.859 -10.759 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.828 -3.092 -9.726 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -2.673 -4.352 -11.815 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.299 -2.646 -12.071 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -3.873 -3.286 -12.546 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -4.519 -1.331 -9.443 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -4.989 -1.511 -11.125 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -3.382 -0.907 -10.722 1.00 0.00 H +ATOM 200 N LYS A 13 -6.663 -5.824 -8.355 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.902 -6.575 -8.258 1.00 0.00 C +ATOM 202 C LYS A 13 -8.634 -6.132 -7.009 1.00 0.00 C +ATOM 203 O LYS A 13 -9.838 -5.861 -7.035 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.589 -8.061 -8.157 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.722 -8.577 -9.279 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.228 -9.971 -8.983 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.241 -10.457 -10.033 1.00 0.00 C +ATOM 208 NZ LYS A 13 -5.808 -10.445 -11.400 1.00 0.00 N +ATOM 209 H LYS A 13 -5.810 -6.287 -8.225 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.499 -6.385 -9.137 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -7.082 -8.243 -7.222 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.518 -8.613 -8.164 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.296 -8.590 -10.193 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -5.872 -7.920 -9.394 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.710 -9.910 -8.036 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -7.064 -10.651 -8.913 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -4.375 -9.813 -10.018 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -4.942 -11.463 -9.781 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -6.679 -11.010 -11.454 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -5.138 -10.850 -12.084 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -6.029 -9.482 -11.720 1.00 0.00 H +ATOM 222 N GLU A 14 -7.879 -6.000 -5.932 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.413 -5.577 -4.671 1.00 0.00 C +ATOM 224 C GLU A 14 -8.870 -4.131 -4.738 1.00 0.00 C +ATOM 225 O GLU A 14 -9.900 -3.796 -4.211 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.378 -5.768 -3.577 1.00 0.00 C +ATOM 227 CG GLU A 14 -6.887 -7.196 -3.465 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.008 -8.166 -3.212 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -8.409 -8.351 -2.052 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -8.532 -8.746 -4.161 1.00 0.00 O +ATOM 231 H GLU A 14 -6.925 -6.227 -5.981 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.264 -6.205 -4.452 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.532 -5.130 -3.787 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -7.810 -5.481 -2.631 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -6.413 -7.459 -4.399 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.164 -7.260 -2.669 1.00 0.00 H +ATOM 237 N TRP A 15 -8.105 -3.307 -5.426 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.396 -1.884 -5.607 1.00 0.00 C +ATOM 239 C TRP A 15 -9.742 -1.710 -6.337 1.00 0.00 C +ATOM 240 O TRP A 15 -10.547 -0.828 -6.008 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.238 -1.258 -6.402 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.261 0.222 -6.558 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.585 0.921 -7.679 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.911 1.189 -5.565 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.463 2.266 -7.442 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.051 2.456 -6.151 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.495 1.105 -4.232 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.788 3.630 -5.457 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.237 2.271 -3.547 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.383 3.516 -4.159 1.00 0.00 C +ATOM 251 H TRP A 15 -7.276 -3.655 -5.824 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.454 -1.417 -4.634 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.313 -1.496 -5.895 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.219 -1.703 -7.386 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -7.887 0.462 -8.609 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.641 2.980 -8.089 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.377 0.149 -3.742 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.894 4.602 -5.913 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.913 2.230 -2.518 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.168 4.402 -3.580 1.00 0.00 H +ATOM 261 N ARG A 16 -9.991 -2.578 -7.296 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.247 -2.578 -8.026 1.00 0.00 C +ATOM 263 C ARG A 16 -12.376 -3.117 -7.154 1.00 0.00 C +ATOM 264 O ARG A 16 -13.491 -2.611 -7.189 1.00 0.00 O +ATOM 265 CB ARG A 16 -11.119 -3.417 -9.289 1.00 0.00 C +ATOM 266 CG ARG A 16 -10.232 -2.805 -10.355 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.965 -3.784 -11.486 1.00 0.00 C +ATOM 268 NE ARG A 16 -11.199 -4.354 -12.049 1.00 0.00 N +ATOM 269 CZ ARG A 16 -11.573 -4.286 -13.335 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -10.914 -3.502 -14.191 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -12.631 -4.968 -13.753 1.00 0.00 N +ATOM 272 H ARG A 16 -9.295 -3.235 -7.523 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.473 -1.559 -8.306 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.703 -4.376 -9.017 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -12.104 -3.566 -9.708 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.722 -1.932 -10.760 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -9.292 -2.519 -9.908 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.421 -3.279 -12.269 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -9.360 -4.589 -11.096 1.00 0.00 H +ATOM 280 HE ARG A 16 -11.729 -4.876 -11.399 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -10.137 -2.941 -13.903 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -11.164 -3.442 -15.162 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -13.176 -5.539 -13.134 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -12.929 -4.953 -14.710 1.00 0.00 H +ATOM 285 N LYS A 17 -12.061 -4.116 -6.359 1.00 0.00 N +ATOM 286 CA LYS A 17 -13.017 -4.769 -5.462 1.00 0.00 C +ATOM 287 C LYS A 17 -13.326 -3.878 -4.229 1.00 0.00 C +ATOM 288 O LYS A 17 -14.312 -4.089 -3.500 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.457 -6.184 -5.109 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.258 -7.066 -4.137 1.00 0.00 C +ATOM 291 CD LYS A 17 -12.938 -6.782 -2.665 1.00 0.00 C +ATOM 292 CE LYS A 17 -11.473 -7.084 -2.317 1.00 0.00 C +ATOM 293 NZ LYS A 17 -11.094 -8.496 -2.579 1.00 0.00 N +ATOM 294 H LYS A 17 -11.137 -4.452 -6.384 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.938 -4.888 -6.015 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -12.370 -6.735 -6.034 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.461 -6.051 -4.714 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -14.310 -6.883 -4.296 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -13.045 -8.103 -4.351 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -13.134 -5.737 -2.469 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -13.585 -7.385 -2.046 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -10.820 -6.435 -2.881 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -11.328 -6.880 -1.266 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -11.639 -9.156 -1.988 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -10.075 -8.614 -2.369 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -11.222 -8.738 -3.584 1.00 0.00 H +ATOM 307 N LEU A 18 -12.485 -2.901 -4.007 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.695 -1.939 -2.958 1.00 0.00 C +ATOM 309 C LEU A 18 -13.762 -0.957 -3.351 1.00 0.00 C +ATOM 310 O LEU A 18 -13.946 -0.661 -4.543 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.416 -1.170 -2.616 1.00 0.00 C +ATOM 312 CG LEU A 18 -10.753 -1.485 -1.269 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -11.724 -1.311 -0.125 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -10.123 -2.865 -1.246 1.00 0.00 C +ATOM 315 H LEU A 18 -11.679 -2.838 -4.563 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.017 -2.479 -2.083 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.694 -1.362 -3.395 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.656 -0.117 -2.633 1.00 0.00 H +ATOM 319 HG LEU A 18 -9.983 -0.748 -1.112 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -11.210 -1.480 0.810 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -12.527 -2.026 -0.212 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -12.121 -0.308 -0.139 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.374 -2.929 -2.022 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -10.885 -3.609 -1.418 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.661 -3.038 -0.287 1.00 0.00 H +ATOM 326 N GLY A 19 -14.463 -0.468 -2.357 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.466 0.520 -2.561 1.00 0.00 C +ATOM 328 C GLY A 19 -14.859 1.792 -3.077 1.00 0.00 C +ATOM 329 O GLY A 19 -13.786 2.193 -2.601 1.00 0.00 O +ATOM 330 H GLY A 19 -14.294 -0.789 -1.447 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.233 0.160 -3.230 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -15.872 0.717 -1.582 1.00 0.00 H +ATOM 333 N SER A 20 -15.531 2.424 -4.025 1.00 0.00 N +ATOM 334 CA SER A 20 -15.070 3.642 -4.672 1.00 0.00 C +ATOM 335 C SER A 20 -14.671 4.699 -3.642 1.00 0.00 C +ATOM 336 O SER A 20 -13.592 5.251 -3.701 1.00 0.00 O +ATOM 337 CB SER A 20 -16.185 4.169 -5.564 1.00 0.00 C +ATOM 338 OG SER A 20 -16.644 3.142 -6.438 1.00 0.00 O +ATOM 339 H SER A 20 -16.391 2.060 -4.324 1.00 0.00 H +ATOM 340 HA SER A 20 -14.218 3.402 -5.291 1.00 0.00 H +ATOM 341 HB2 SER A 20 -17.008 4.502 -4.949 1.00 0.00 H +ATOM 342 HB3 SER A 20 -15.817 4.993 -6.157 1.00 0.00 H +ATOM 343 HG SER A 20 -16.499 3.470 -7.336 1.00 0.00 H +ATOM 344 N THR A 21 -15.514 4.881 -2.664 1.00 0.00 N +ATOM 345 CA THR A 21 -15.319 5.858 -1.617 1.00 0.00 C +ATOM 346 C THR A 21 -14.061 5.543 -0.796 1.00 0.00 C +ATOM 347 O THR A 21 -13.248 6.427 -0.512 1.00 0.00 O +ATOM 348 CB THR A 21 -16.547 5.849 -0.706 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.718 6.058 -1.520 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.453 6.929 0.357 1.00 0.00 C +ATOM 351 H THR A 21 -16.313 4.316 -2.649 1.00 0.00 H +ATOM 352 HA THR A 21 -15.232 6.836 -2.064 1.00 0.00 H +ATOM 353 HB THR A 21 -16.618 4.878 -0.237 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.422 6.476 -2.341 1.00 0.00 H +ATOM 355 HG21 THR A 21 -15.582 6.758 0.973 1.00 0.00 H +ATOM 356 HG22 THR A 21 -17.339 6.925 0.973 1.00 0.00 H +ATOM 357 HG23 THR A 21 -16.355 7.883 -0.138 1.00 0.00 H +ATOM 358 N VAL A 22 -13.895 4.274 -0.480 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.786 3.811 0.328 1.00 0.00 C +ATOM 360 C VAL A 22 -11.492 3.966 -0.443 1.00 0.00 C +ATOM 361 O VAL A 22 -10.508 4.510 0.068 1.00 0.00 O +ATOM 362 CB VAL A 22 -12.970 2.329 0.722 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -11.811 1.843 1.569 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.281 2.129 1.457 1.00 0.00 C +ATOM 365 H VAL A 22 -14.533 3.617 -0.831 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.745 4.410 1.227 1.00 0.00 H +ATOM 367 HB VAL A 22 -12.996 1.744 -0.185 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -11.751 2.438 2.468 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -10.891 1.938 1.011 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -11.966 0.808 1.837 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.387 1.088 1.726 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -15.102 2.423 0.820 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.286 2.733 2.353 1.00 0.00 H +ATOM 374 N ARG A 23 -11.509 3.529 -1.685 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.351 3.629 -2.523 1.00 0.00 C +ATOM 376 C ARG A 23 -9.999 5.071 -2.837 1.00 0.00 C +ATOM 377 O ARG A 23 -8.854 5.373 -3.032 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.404 2.764 -3.771 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.552 3.037 -4.695 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.316 2.364 -6.015 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.366 2.666 -6.985 1.00 0.00 N +ATOM 382 CZ ARG A 23 -13.079 1.757 -7.663 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.982 0.456 -7.371 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.908 2.157 -8.613 1.00 0.00 N +ATOM 385 H ARG A 23 -12.334 3.124 -2.039 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.545 3.271 -1.898 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.489 2.904 -4.328 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.459 1.730 -3.459 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.426 2.594 -4.239 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.726 4.097 -4.817 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.368 2.743 -6.372 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -11.248 1.298 -5.864 1.00 0.00 H +ATOM 393 HE ARG A 23 -12.491 3.628 -7.152 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -12.381 0.108 -6.644 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -13.522 -0.232 -7.866 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -14.028 3.123 -8.857 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -14.466 1.507 -9.138 1.00 0.00 H +ATOM 398 N GLU A 24 -10.993 5.945 -2.965 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.721 7.372 -3.147 1.00 0.00 C +ATOM 400 C GLU A 24 -9.949 7.934 -1.974 1.00 0.00 C +ATOM 401 O GLU A 24 -9.013 8.709 -2.164 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.993 8.179 -3.368 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.632 7.939 -4.709 1.00 0.00 C +ATOM 404 CD GLU A 24 -11.710 8.284 -5.842 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -11.603 9.471 -6.198 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -11.058 7.380 -6.394 1.00 0.00 O +ATOM 407 H GLU A 24 -11.927 5.635 -2.963 1.00 0.00 H +ATOM 408 HA GLU A 24 -10.097 7.460 -4.025 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.707 7.918 -2.600 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.755 9.229 -3.284 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -12.889 6.894 -4.779 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -13.525 8.540 -4.787 1.00 0.00 H +ATOM 413 N GLN A 25 -10.318 7.522 -0.768 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.626 7.976 0.432 1.00 0.00 C +ATOM 415 C GLN A 25 -8.198 7.443 0.416 1.00 0.00 C +ATOM 416 O GLN A 25 -7.246 8.180 0.645 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.329 7.494 1.707 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.779 7.847 1.835 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.051 9.305 1.735 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -11.230 10.160 2.112 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.176 9.614 1.211 1.00 0.00 N +ATOM 422 H GLN A 25 -11.073 6.896 -0.695 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.602 9.055 0.417 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.344 6.421 1.664 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.802 7.839 2.584 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -12.328 7.350 1.049 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -12.136 7.493 2.789 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.785 8.907 0.908 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -13.395 10.561 1.144 1.00 0.00 H +ATOM 430 N LEU A 26 -8.069 6.162 0.112 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.773 5.495 0.021 1.00 0.00 C +ATOM 432 C LEU A 26 -5.908 6.123 -1.069 1.00 0.00 C +ATOM 433 O LEU A 26 -4.714 6.308 -0.888 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.971 4.005 -0.245 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.660 3.212 0.875 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.969 1.801 0.419 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.789 3.179 2.125 1.00 0.00 C +ATOM 438 H LEU A 26 -8.884 5.637 -0.046 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.271 5.617 0.970 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.561 3.916 -1.145 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -6.003 3.569 -0.432 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.593 3.694 1.124 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.440 1.259 1.227 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -7.053 1.305 0.136 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.639 1.833 -0.428 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -7.278 2.588 2.886 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -6.642 4.183 2.494 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -5.832 2.737 1.888 1.00 0.00 H +ATOM 449 N LYS A 27 -6.535 6.449 -2.190 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.879 7.126 -3.304 1.00 0.00 C +ATOM 451 C LYS A 27 -5.272 8.442 -2.837 1.00 0.00 C +ATOM 452 O LYS A 27 -4.131 8.744 -3.161 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.901 7.427 -4.395 1.00 0.00 C +ATOM 454 CG LYS A 27 -6.322 8.104 -5.627 1.00 0.00 C +ATOM 455 CD LYS A 27 -7.412 8.670 -6.525 1.00 0.00 C +ATOM 456 CE LYS A 27 -8.058 9.906 -5.896 1.00 0.00 C +ATOM 457 NZ LYS A 27 -9.157 10.446 -6.723 1.00 0.00 N +ATOM 458 H LYS A 27 -7.473 6.175 -2.292 1.00 0.00 H +ATOM 459 HA LYS A 27 -5.109 6.485 -3.709 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -7.346 6.491 -4.702 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.674 8.052 -3.975 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.698 8.917 -5.285 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -5.730 7.389 -6.179 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -6.977 8.946 -7.473 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -8.171 7.916 -6.679 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -8.451 9.646 -4.925 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -7.295 10.663 -5.770 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -9.450 11.385 -6.389 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -10.017 9.856 -6.650 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -8.891 10.525 -7.725 1.00 0.00 H +ATOM 471 N LYS A 28 -6.041 9.202 -2.046 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.566 10.476 -1.485 1.00 0.00 C +ATOM 473 C LYS A 28 -4.319 10.226 -0.679 1.00 0.00 C +ATOM 474 O LYS A 28 -3.345 10.963 -0.776 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.589 11.089 -0.535 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.937 11.429 -1.115 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.851 11.905 0.001 1.00 0.00 C +ATOM 478 CE LYS A 28 -10.248 12.209 -0.487 1.00 0.00 C +ATOM 479 NZ LYS A 28 -11.136 12.563 0.638 1.00 0.00 N +ATOM 480 H LYS A 28 -6.952 8.889 -1.857 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.361 11.166 -2.289 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.751 10.400 0.279 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.158 11.994 -0.131 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.822 12.212 -1.851 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -8.364 10.548 -1.572 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -8.911 11.139 0.760 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.428 12.799 0.434 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -10.205 13.039 -1.178 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.642 11.338 -0.988 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -11.225 11.779 1.319 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -12.094 12.790 0.304 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -10.790 13.395 1.155 1.00 0.00 H +ATOM 493 N LYS A 29 -4.364 9.158 0.103 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.260 8.773 0.945 1.00 0.00 C +ATOM 495 C LYS A 29 -2.033 8.440 0.168 1.00 0.00 C +ATOM 496 O LYS A 29 -0.950 8.822 0.557 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.621 7.665 1.938 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.178 8.161 3.262 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.444 8.968 3.107 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.872 9.546 4.431 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.858 10.477 4.975 1.00 0.00 N +ATOM 502 H LYS A 29 -5.181 8.612 0.104 1.00 0.00 H +ATOM 503 HA LYS A 29 -3.020 9.659 1.503 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.362 7.027 1.481 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.735 7.080 2.136 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.398 7.313 3.893 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.429 8.775 3.739 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -5.261 9.774 2.413 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.229 8.332 2.725 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.814 10.062 4.316 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.981 8.716 5.116 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -4.004 9.951 5.250 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -5.202 10.935 5.842 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.570 11.198 4.277 1.00 0.00 H +ATOM 515 N LEU A 30 -2.204 7.761 -0.929 1.00 0.00 N +ATOM 516 CA LEU A 30 -1.096 7.425 -1.785 1.00 0.00 C +ATOM 517 C LEU A 30 -0.465 8.692 -2.328 1.00 0.00 C +ATOM 518 O LEU A 30 0.743 8.870 -2.264 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.561 6.529 -2.930 1.00 0.00 C +ATOM 520 CG LEU A 30 -2.193 5.205 -2.512 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.631 4.414 -3.727 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.230 4.400 -1.653 1.00 0.00 C +ATOM 523 H LEU A 30 -3.112 7.465 -1.160 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.367 6.890 -1.194 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.283 7.080 -3.516 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.711 6.312 -3.557 1.00 0.00 H +ATOM 527 HG LEU A 30 -3.075 5.414 -1.925 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -1.778 4.222 -4.359 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -3.366 4.978 -4.282 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -3.064 3.477 -3.414 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -0.307 4.236 -2.189 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -1.677 3.445 -1.420 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -1.028 4.935 -0.737 1.00 0.00 H +ATOM 534 N VAL A 31 -1.305 9.595 -2.783 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.855 10.835 -3.371 1.00 0.00 C +ATOM 536 C VAL A 31 -0.122 11.710 -2.344 1.00 0.00 C +ATOM 537 O VAL A 31 0.959 12.240 -2.634 1.00 0.00 O +ATOM 538 CB VAL A 31 -2.043 11.615 -4.000 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -1.581 12.914 -4.618 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -2.734 10.757 -5.036 1.00 0.00 C +ATOM 541 H VAL A 31 -2.270 9.415 -2.712 1.00 0.00 H +ATOM 542 HA VAL A 31 -0.157 10.588 -4.158 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.765 11.844 -3.227 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -2.421 13.416 -5.072 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -0.822 12.716 -5.360 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -1.174 13.536 -3.833 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -2.039 10.492 -5.817 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -3.576 11.295 -5.444 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -3.080 9.864 -4.534 1.00 0.00 H +ATOM 550 N GLU A 32 -0.681 11.834 -1.147 1.00 0.00 N +ATOM 551 CA GLU A 32 -0.048 12.633 -0.106 1.00 0.00 C +ATOM 552 C GLU A 32 1.252 11.979 0.400 1.00 0.00 C +ATOM 553 O GLU A 32 2.306 12.642 0.491 1.00 0.00 O +ATOM 554 CB GLU A 32 -1.012 12.954 1.068 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.586 11.742 1.774 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.309 12.068 3.058 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -1.630 12.295 4.085 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -3.564 12.098 3.082 1.00 0.00 O +ATOM 559 H GLU A 32 -1.543 11.392 -0.967 1.00 0.00 H +ATOM 560 HA GLU A 32 0.235 13.561 -0.583 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.492 13.545 1.805 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.835 13.534 0.677 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -2.296 11.314 1.084 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.793 11.034 1.969 1.00 0.00 H +ATOM 565 N VAL A 33 1.195 10.663 0.622 1.00 0.00 N +ATOM 566 CA VAL A 33 2.280 9.907 1.228 1.00 0.00 C +ATOM 567 C VAL A 33 3.546 9.948 0.386 1.00 0.00 C +ATOM 568 O VAL A 33 4.631 9.905 0.917 1.00 0.00 O +ATOM 569 CB VAL A 33 1.901 8.435 1.597 1.00 0.00 C +ATOM 570 CG1 VAL A 33 1.928 7.490 0.398 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.768 7.927 2.724 1.00 0.00 C +ATOM 572 H VAL A 33 0.380 10.170 0.372 1.00 0.00 H +ATOM 573 HA VAL A 33 2.513 10.433 2.145 1.00 0.00 H +ATOM 574 HB VAL A 33 0.881 8.458 1.951 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.251 7.860 -0.358 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.625 6.499 0.702 1.00 0.00 H +ATOM 577 HG13 VAL A 33 2.928 7.454 -0.009 1.00 0.00 H +ATOM 578 HG21 VAL A 33 3.795 8.023 2.413 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.542 6.889 2.919 1.00 0.00 H +ATOM 580 HG23 VAL A 33 2.602 8.511 3.615 1.00 0.00 H +ATOM 581 N LEU A 34 3.384 10.070 -0.927 1.00 0.00 N +ATOM 582 CA LEU A 34 4.495 10.063 -1.878 1.00 0.00 C +ATOM 583 C LEU A 34 5.605 11.075 -1.562 1.00 0.00 C +ATOM 584 O LEU A 34 6.740 10.865 -1.984 1.00 0.00 O +ATOM 585 CB LEU A 34 3.999 10.269 -3.313 1.00 0.00 C +ATOM 586 CG LEU A 34 3.160 9.140 -3.903 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.696 9.488 -5.303 1.00 0.00 C +ATOM 588 CD2 LEU A 34 3.940 7.832 -3.905 1.00 0.00 C +ATOM 589 H LEU A 34 2.467 10.127 -1.274 1.00 0.00 H +ATOM 590 HA LEU A 34 4.939 9.081 -1.827 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.404 11.169 -3.330 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.855 10.419 -3.954 1.00 0.00 H +ATOM 593 HG LEU A 34 2.281 9.005 -3.290 1.00 0.00 H +ATOM 594 HD11 LEU A 34 2.112 10.396 -5.272 1.00 0.00 H +ATOM 595 HD12 LEU A 34 2.090 8.685 -5.692 1.00 0.00 H +ATOM 596 HD13 LEU A 34 3.556 9.634 -5.938 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.873 7.973 -4.427 1.00 0.00 H +ATOM 598 HD22 LEU A 34 3.364 7.081 -4.424 1.00 0.00 H +ATOM 599 HD23 LEU A 34 4.130 7.506 -2.893 1.00 0.00 H +ATOM 600 N GLU A 35 5.305 12.172 -0.851 1.00 0.00 N +ATOM 601 CA GLU A 35 6.378 13.111 -0.511 1.00 0.00 C +ATOM 602 C GLU A 35 7.287 12.559 0.607 1.00 0.00 C +ATOM 603 O GLU A 35 8.434 12.966 0.730 1.00 0.00 O +ATOM 604 CB GLU A 35 5.863 14.519 -0.167 1.00 0.00 C +ATOM 605 CG GLU A 35 4.977 14.622 1.064 1.00 0.00 C +ATOM 606 CD GLU A 35 4.495 16.036 1.291 1.00 0.00 C +ATOM 607 OE1 GLU A 35 5.216 16.832 1.928 1.00 0.00 O +ATOM 608 OE2 GLU A 35 3.392 16.389 0.813 1.00 0.00 O +ATOM 609 H GLU A 35 4.381 12.329 -0.555 1.00 0.00 H +ATOM 610 HA GLU A 35 6.994 13.170 -1.397 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.715 15.165 -0.012 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.309 14.895 -1.014 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.118 13.976 0.938 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.543 14.307 1.929 1.00 0.00 H +ATOM 615 N SER A 36 6.771 11.620 1.391 1.00 0.00 N +ATOM 616 CA SER A 36 7.532 10.986 2.458 1.00 0.00 C +ATOM 617 C SER A 36 6.850 9.691 2.954 1.00 0.00 C +ATOM 618 O SER A 36 6.113 9.694 3.935 1.00 0.00 O +ATOM 619 CB SER A 36 7.839 11.975 3.609 1.00 0.00 C +ATOM 620 OG SER A 36 6.679 12.719 3.983 1.00 0.00 O +ATOM 621 H SER A 36 5.858 11.293 1.224 1.00 0.00 H +ATOM 622 HA SER A 36 8.466 10.680 2.008 1.00 0.00 H +ATOM 623 HB2 SER A 36 8.185 11.426 4.472 1.00 0.00 H +ATOM 624 HB3 SER A 36 8.608 12.665 3.293 1.00 0.00 H +ATOM 625 HG SER A 36 6.076 12.690 3.234 1.00 0.00 H +ATOM 626 N PRO A 37 7.005 8.580 2.200 1.00 0.00 N +ATOM 627 CA PRO A 37 6.419 7.291 2.573 1.00 0.00 C +ATOM 628 C PRO A 37 7.306 6.492 3.519 1.00 0.00 C +ATOM 629 O PRO A 37 6.878 5.514 4.101 1.00 0.00 O +ATOM 630 CB PRO A 37 6.284 6.579 1.230 1.00 0.00 C +ATOM 631 CG PRO A 37 7.435 7.088 0.430 1.00 0.00 C +ATOM 632 CD PRO A 37 7.668 8.512 0.877 1.00 0.00 C +ATOM 633 HA PRO A 37 5.450 7.397 3.032 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.339 5.509 1.378 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.341 6.837 0.770 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.309 6.486 0.630 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.196 7.058 -0.623 1.00 0.00 H +ATOM 638 HD2 PRO A 37 8.724 8.721 0.962 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.196 9.195 0.186 1.00 0.00 H +ATOM 640 N ARG A 38 8.524 6.953 3.708 1.00 0.00 N +ATOM 641 CA ARG A 38 9.492 6.263 4.550 1.00 0.00 C +ATOM 642 C ARG A 38 9.335 6.597 6.040 1.00 0.00 C +ATOM 643 O ARG A 38 10.304 6.603 6.809 1.00 0.00 O +ATOM 644 CB ARG A 38 10.933 6.474 4.013 1.00 0.00 C +ATOM 645 CG ARG A 38 11.368 7.914 3.700 1.00 0.00 C +ATOM 646 CD ARG A 38 11.609 8.762 4.938 1.00 0.00 C +ATOM 647 NE ARG A 38 12.145 10.083 4.593 1.00 0.00 N +ATOM 648 CZ ARG A 38 13.135 10.714 5.252 1.00 0.00 C +ATOM 649 NH1 ARG A 38 13.750 10.124 6.275 1.00 0.00 N +ATOM 650 NH2 ARG A 38 13.523 11.918 4.864 1.00 0.00 N +ATOM 651 H ARG A 38 8.765 7.788 3.258 1.00 0.00 H +ATOM 652 HA ARG A 38 9.253 5.214 4.454 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.625 6.083 4.744 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.035 5.889 3.111 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.277 7.887 3.120 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.594 8.375 3.105 1.00 0.00 H +ATOM 657 HD2 ARG A 38 10.669 8.885 5.454 1.00 0.00 H +ATOM 658 HD3 ARG A 38 12.305 8.250 5.583 1.00 0.00 H +ATOM 659 HE ARG A 38 11.722 10.501 3.807 1.00 0.00 H +ATOM 660 HH11 ARG A 38 13.509 9.202 6.592 1.00 0.00 H +ATOM 661 HH12 ARG A 38 14.495 10.584 6.770 1.00 0.00 H +ATOM 662 HH21 ARG A 38 13.110 12.395 4.086 1.00 0.00 H +ATOM 663 HH22 ARG A 38 14.261 12.407 5.339 1.00 0.00 H +ATOM 664 N ILE A 39 8.104 6.806 6.446 1.00 0.00 N +ATOM 665 CA ILE A 39 7.790 7.106 7.814 1.00 0.00 C +ATOM 666 C ILE A 39 7.698 5.810 8.600 1.00 0.00 C +ATOM 667 O ILE A 39 6.763 5.018 8.443 1.00 0.00 O +ATOM 668 CB ILE A 39 6.489 7.945 7.949 1.00 0.00 C +ATOM 669 CG1 ILE A 39 6.687 9.291 7.236 1.00 0.00 C +ATOM 670 CG2 ILE A 39 6.121 8.157 9.423 1.00 0.00 C +ATOM 671 CD1 ILE A 39 5.480 10.200 7.260 1.00 0.00 C +ATOM 672 H ILE A 39 7.380 6.704 5.793 1.00 0.00 H +ATOM 673 HA ILE A 39 8.620 7.675 8.207 1.00 0.00 H +ATOM 674 HB ILE A 39 5.683 7.412 7.465 1.00 0.00 H +ATOM 675 HG12 ILE A 39 7.498 9.815 7.718 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.952 9.107 6.206 1.00 0.00 H +ATOM 677 HG21 ILE A 39 6.922 8.677 9.926 1.00 0.00 H +ATOM 678 HG22 ILE A 39 5.964 7.197 9.895 1.00 0.00 H +ATOM 679 HG23 ILE A 39 5.216 8.742 9.485 1.00 0.00 H +ATOM 680 HD11 ILE A 39 5.702 11.106 6.717 1.00 0.00 H +ATOM 681 HD12 ILE A 39 5.226 10.442 8.281 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.649 9.695 6.792 1.00 0.00 H +ATOM 683 N GLU A 40 8.665 5.643 9.454 1.00 0.00 N +ATOM 684 CA GLU A 40 8.897 4.462 10.270 1.00 0.00 C +ATOM 685 C GLU A 40 7.687 4.065 11.118 1.00 0.00 C +ATOM 686 O GLU A 40 7.465 2.879 11.381 1.00 0.00 O +ATOM 687 CB GLU A 40 10.157 4.652 11.153 1.00 0.00 C +ATOM 688 CG GLU A 40 10.180 5.927 12.027 1.00 0.00 C +ATOM 689 CD GLU A 40 10.334 7.222 11.238 1.00 0.00 C +ATOM 690 OE1 GLU A 40 11.463 7.562 10.844 1.00 0.00 O +ATOM 691 OE2 GLU A 40 9.318 7.897 10.971 1.00 0.00 O +ATOM 692 H GLU A 40 9.278 6.404 9.561 1.00 0.00 H +ATOM 693 HA GLU A 40 9.097 3.650 9.590 1.00 0.00 H +ATOM 694 HB2 GLU A 40 10.241 3.803 11.815 1.00 0.00 H +ATOM 695 HB3 GLU A 40 11.025 4.672 10.509 1.00 0.00 H +ATOM 696 HG2 GLU A 40 9.235 5.975 12.548 1.00 0.00 H +ATOM 697 HG3 GLU A 40 10.985 5.849 12.741 1.00 0.00 H +ATOM 698 N ALA A 41 6.885 5.037 11.492 1.00 0.00 N +ATOM 699 CA ALA A 41 5.689 4.795 12.287 1.00 0.00 C +ATOM 700 C ALA A 41 4.619 4.050 11.482 1.00 0.00 C +ATOM 701 O ALA A 41 3.650 3.524 12.037 1.00 0.00 O +ATOM 702 CB ALA A 41 5.133 6.101 12.804 1.00 0.00 C +ATOM 703 H ALA A 41 7.122 5.954 11.237 1.00 0.00 H +ATOM 704 HA ALA A 41 5.975 4.187 13.133 1.00 0.00 H +ATOM 705 HB1 ALA A 41 4.262 5.896 13.408 1.00 0.00 H +ATOM 706 HB2 ALA A 41 4.859 6.734 11.973 1.00 0.00 H +ATOM 707 HB3 ALA A 41 5.881 6.593 13.407 1.00 0.00 H +ATOM 708 N ASN A 42 4.792 3.992 10.179 1.00 0.00 N +ATOM 709 CA ASN A 42 3.841 3.319 9.326 1.00 0.00 C +ATOM 710 C ASN A 42 4.423 2.071 8.730 1.00 0.00 C +ATOM 711 O ASN A 42 3.796 1.444 7.906 1.00 0.00 O +ATOM 712 CB ASN A 42 3.294 4.232 8.211 1.00 0.00 C +ATOM 713 CG ASN A 42 2.456 5.376 8.735 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.251 5.239 8.944 1.00 0.00 O +ATOM 715 ND2 ASN A 42 3.064 6.519 8.914 1.00 0.00 N +ATOM 716 H ASN A 42 5.585 4.407 9.769 1.00 0.00 H +ATOM 717 HA ASN A 42 3.012 3.014 9.947 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.124 4.650 7.662 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.688 3.641 7.539 1.00 0.00 H +ATOM 720 HD21 ASN A 42 4.017 6.589 8.701 1.00 0.00 H +ATOM 721 HD22 ASN A 42 2.533 7.265 9.266 1.00 0.00 H +ATOM 722 N LYS A 43 5.594 1.667 9.162 1.00 0.00 N +ATOM 723 CA LYS A 43 6.164 0.467 8.609 1.00 0.00 C +ATOM 724 C LYS A 43 5.740 -0.744 9.393 1.00 0.00 C +ATOM 725 O LYS A 43 5.416 -0.642 10.581 1.00 0.00 O +ATOM 726 CB LYS A 43 7.681 0.541 8.369 1.00 0.00 C +ATOM 727 CG LYS A 43 8.589 0.417 9.567 1.00 0.00 C +ATOM 728 CD LYS A 43 10.028 0.789 9.185 1.00 0.00 C +ATOM 729 CE LYS A 43 10.562 -0.033 8.000 1.00 0.00 C +ATOM 730 NZ LYS A 43 11.901 0.427 7.570 1.00 0.00 N +ATOM 731 H LYS A 43 6.067 2.160 9.868 1.00 0.00 H +ATOM 732 HA LYS A 43 5.673 0.365 7.655 1.00 0.00 H +ATOM 733 HB2 LYS A 43 7.940 -0.256 7.690 1.00 0.00 H +ATOM 734 HB3 LYS A 43 7.885 1.481 7.878 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.237 1.063 10.358 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.571 -0.615 9.883 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.052 1.834 8.914 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.665 0.630 10.042 1.00 0.00 H +ATOM 739 HE2 LYS A 43 10.620 -1.073 8.280 1.00 0.00 H +ATOM 740 HE3 LYS A 43 9.880 0.072 7.169 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 12.631 0.219 8.281 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 11.891 1.463 7.472 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.198 0.036 6.648 1.00 0.00 H +ATOM 744 N LEU A 44 5.605 -1.842 8.706 1.00 0.00 N +ATOM 745 CA LEU A 44 5.208 -3.095 9.306 1.00 0.00 C +ATOM 746 C LEU A 44 6.322 -3.638 10.191 1.00 0.00 C +ATOM 747 O LEU A 44 7.495 -3.312 9.989 1.00 0.00 O +ATOM 748 CB LEU A 44 4.825 -4.100 8.225 1.00 0.00 C +ATOM 749 CG LEU A 44 3.601 -3.736 7.376 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.393 -4.750 6.289 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.365 -3.678 8.229 1.00 0.00 C +ATOM 752 H LEU A 44 5.811 -1.811 7.743 1.00 0.00 H +ATOM 753 HA LEU A 44 4.346 -2.893 9.922 1.00 0.00 H +ATOM 754 HB2 LEU A 44 5.672 -4.173 7.561 1.00 0.00 H +ATOM 755 HB3 LEU A 44 4.654 -5.061 8.686 1.00 0.00 H +ATOM 756 HG LEU A 44 3.743 -2.767 6.922 1.00 0.00 H +ATOM 757 HD11 LEU A 44 4.250 -4.773 5.633 1.00 0.00 H +ATOM 758 HD12 LEU A 44 2.508 -4.470 5.739 1.00 0.00 H +ATOM 759 HD13 LEU A 44 3.240 -5.721 6.737 1.00 0.00 H +ATOM 760 HD21 LEU A 44 2.502 -2.958 9.020 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.176 -4.654 8.653 1.00 0.00 H +ATOM 762 HD23 LEU A 44 1.527 -3.383 7.616 1.00 0.00 H +ATOM 763 N ARG A 45 5.945 -4.457 11.150 1.00 0.00 N +ATOM 764 CA ARG A 45 6.846 -4.977 12.153 1.00 0.00 C +ATOM 765 C ARG A 45 8.024 -5.792 11.601 1.00 0.00 C +ATOM 766 O ARG A 45 9.166 -5.460 11.871 1.00 0.00 O +ATOM 767 CB ARG A 45 6.072 -5.729 13.245 1.00 0.00 C +ATOM 768 CG ARG A 45 5.175 -6.862 12.759 1.00 0.00 C +ATOM 769 CD ARG A 45 4.447 -7.514 13.920 1.00 0.00 C +ATOM 770 NE ARG A 45 5.379 -8.129 14.874 1.00 0.00 N +ATOM 771 CZ ARG A 45 5.162 -8.278 16.194 1.00 0.00 C +ATOM 772 NH1 ARG A 45 4.054 -7.798 16.757 1.00 0.00 N +ATOM 773 NH2 ARG A 45 6.064 -8.887 16.946 1.00 0.00 N +ATOM 774 H ARG A 45 5.001 -4.714 11.206 1.00 0.00 H +ATOM 775 HA ARG A 45 7.283 -4.108 12.621 1.00 0.00 H +ATOM 776 HB2 ARG A 45 6.791 -6.153 13.926 1.00 0.00 H +ATOM 777 HB3 ARG A 45 5.462 -5.020 13.786 1.00 0.00 H +ATOM 778 HG2 ARG A 45 4.449 -6.473 12.060 1.00 0.00 H +ATOM 779 HG3 ARG A 45 5.787 -7.603 12.266 1.00 0.00 H +ATOM 780 HD2 ARG A 45 3.868 -6.760 14.433 1.00 0.00 H +ATOM 781 HD3 ARG A 45 3.786 -8.275 13.534 1.00 0.00 H +ATOM 782 HE ARG A 45 6.210 -8.470 14.468 1.00 0.00 H +ATOM 783 HH11 ARG A 45 3.354 -7.311 16.233 1.00 0.00 H +ATOM 784 HH12 ARG A 45 3.874 -7.922 17.739 1.00 0.00 H +ATOM 785 HH21 ARG A 45 6.923 -9.252 16.577 1.00 0.00 H +ATOM 786 HH22 ARG A 45 5.928 -9.029 17.929 1.00 0.00 H +ATOM 787 N GLY A 46 7.768 -6.817 10.821 1.00 0.00 N +ATOM 788 CA GLY A 46 8.866 -7.636 10.364 1.00 0.00 C +ATOM 789 C GLY A 46 8.953 -7.719 8.868 1.00 0.00 C +ATOM 790 O GLY A 46 9.547 -8.649 8.327 1.00 0.00 O +ATOM 791 H GLY A 46 6.856 -7.048 10.545 1.00 0.00 H +ATOM 792 HA2 GLY A 46 9.788 -7.217 10.740 1.00 0.00 H +ATOM 793 HA3 GLY A 46 8.749 -8.631 10.766 1.00 0.00 H +ATOM 794 N MET A 47 8.403 -6.749 8.191 1.00 0.00 N +ATOM 795 CA MET A 47 8.387 -6.766 6.732 1.00 0.00 C +ATOM 796 C MET A 47 9.448 -5.840 6.176 1.00 0.00 C +ATOM 797 O MET A 47 9.547 -4.687 6.617 1.00 0.00 O +ATOM 798 CB MET A 47 7.026 -6.356 6.190 1.00 0.00 C +ATOM 799 CG MET A 47 5.900 -7.328 6.490 1.00 0.00 C +ATOM 800 SD MET A 47 6.080 -8.914 5.648 1.00 0.00 S +ATOM 801 CE MET A 47 5.958 -8.390 3.938 1.00 0.00 C +ATOM 802 H MET A 47 8.042 -5.982 8.682 1.00 0.00 H +ATOM 803 HA MET A 47 8.598 -7.778 6.421 1.00 0.00 H +ATOM 804 HB2 MET A 47 6.788 -5.395 6.613 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.107 -6.243 5.120 1.00 0.00 H +ATOM 806 HG2 MET A 47 5.876 -7.502 7.555 1.00 0.00 H +ATOM 807 HG3 MET A 47 4.966 -6.879 6.185 1.00 0.00 H +ATOM 808 HE1 MET A 47 6.765 -7.717 3.691 1.00 0.00 H +ATOM 809 HE2 MET A 47 5.016 -7.883 3.792 1.00 0.00 H +ATOM 810 HE3 MET A 47 5.999 -9.255 3.292 1.00 0.00 H +ATOM 811 N PRO A 48 10.247 -6.324 5.194 1.00 0.00 N +ATOM 812 CA PRO A 48 11.326 -5.544 4.576 1.00 0.00 C +ATOM 813 C PRO A 48 10.818 -4.263 3.904 1.00 0.00 C +ATOM 814 O PRO A 48 10.297 -4.289 2.776 1.00 0.00 O +ATOM 815 CB PRO A 48 11.943 -6.501 3.540 1.00 0.00 C +ATOM 816 CG PRO A 48 10.903 -7.547 3.316 1.00 0.00 C +ATOM 817 CD PRO A 48 10.162 -7.680 4.613 1.00 0.00 C +ATOM 818 HA PRO A 48 12.069 -5.279 5.313 1.00 0.00 H +ATOM 819 HB2 PRO A 48 12.158 -5.954 2.633 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.852 -6.926 3.936 1.00 0.00 H +ATOM 821 HG2 PRO A 48 10.230 -7.229 2.533 1.00 0.00 H +ATOM 822 HG3 PRO A 48 11.371 -8.484 3.052 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.135 -7.960 4.426 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.643 -8.404 5.254 1.00 0.00 H +ATOM 825 N ASP A 49 10.897 -3.173 4.662 1.00 0.00 N +ATOM 826 CA ASP A 49 10.501 -1.823 4.246 1.00 0.00 C +ATOM 827 C ASP A 49 9.114 -1.771 3.655 1.00 0.00 C +ATOM 828 O ASP A 49 8.882 -1.179 2.593 1.00 0.00 O +ATOM 829 CB ASP A 49 11.535 -1.149 3.331 1.00 0.00 C +ATOM 830 CG ASP A 49 12.824 -0.843 4.050 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.794 -0.158 5.108 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.900 -1.295 3.604 1.00 0.00 O +ATOM 833 H ASP A 49 11.231 -3.311 5.575 1.00 0.00 H +ATOM 834 HA ASP A 49 10.445 -1.248 5.159 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.755 -1.803 2.500 1.00 0.00 H +ATOM 836 HB3 ASP A 49 11.122 -0.225 2.953 1.00 0.00 H +ATOM 837 N CYS A 50 8.189 -2.397 4.332 1.00 0.00 N +ATOM 838 CA CYS A 50 6.834 -2.347 3.899 1.00 0.00 C +ATOM 839 C CYS A 50 6.092 -1.440 4.846 1.00 0.00 C +ATOM 840 O CYS A 50 6.336 -1.470 6.058 1.00 0.00 O +ATOM 841 CB CYS A 50 6.231 -3.744 3.882 1.00 0.00 C +ATOM 842 SG CYS A 50 7.163 -4.933 2.881 1.00 0.00 S +ATOM 843 H CYS A 50 8.412 -2.876 5.158 1.00 0.00 H +ATOM 844 HA CYS A 50 6.811 -1.923 2.908 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.199 -4.118 4.892 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.227 -3.693 3.488 1.00 0.00 H +ATOM 847 HG CYS A 50 8.374 -4.426 2.678 1.00 0.00 H +ATOM 848 N TYR A 51 5.208 -0.663 4.319 1.00 0.00 N +ATOM 849 CA TYR A 51 4.501 0.324 5.075 1.00 0.00 C +ATOM 850 C TYR A 51 3.034 0.164 4.835 1.00 0.00 C +ATOM 851 O TYR A 51 2.622 -0.350 3.787 1.00 0.00 O +ATOM 852 CB TYR A 51 4.957 1.750 4.688 1.00 0.00 C +ATOM 853 CG TYR A 51 6.431 2.071 4.951 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.438 1.556 4.144 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.806 2.887 6.004 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.767 1.843 4.381 1.00 0.00 C +ATOM 857 CE2 TYR A 51 8.137 3.176 6.243 1.00 0.00 C +ATOM 858 CZ TYR A 51 9.109 2.652 5.430 1.00 0.00 C +ATOM 859 OH TYR A 51 10.434 2.934 5.678 1.00 0.00 O +ATOM 860 H TYR A 51 4.978 -0.752 3.367 1.00 0.00 H +ATOM 861 HA TYR A 51 4.690 0.165 6.122 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.783 1.886 3.632 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.356 2.461 5.234 1.00 0.00 H +ATOM 864 HD1 TYR A 51 7.167 0.916 3.318 1.00 0.00 H +ATOM 865 HD2 TYR A 51 6.047 3.300 6.651 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.532 1.430 3.739 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.408 3.814 7.072 1.00 0.00 H +ATOM 868 HH TYR A 51 10.862 3.104 4.826 1.00 0.00 H +ATOM 869 N LYS A 52 2.248 0.569 5.784 1.00 0.00 N +ATOM 870 CA LYS A 52 0.837 0.455 5.660 1.00 0.00 C +ATOM 871 C LYS A 52 0.174 1.727 6.117 1.00 0.00 C +ATOM 872 O LYS A 52 0.589 2.346 7.102 1.00 0.00 O +ATOM 873 CB LYS A 52 0.277 -0.782 6.435 1.00 0.00 C +ATOM 874 CG LYS A 52 0.167 -0.693 7.987 1.00 0.00 C +ATOM 875 CD LYS A 52 1.492 -0.409 8.698 1.00 0.00 C +ATOM 876 CE LYS A 52 1.355 -0.585 10.206 1.00 0.00 C +ATOM 877 NZ LYS A 52 2.583 -0.194 10.951 1.00 0.00 N +ATOM 878 H LYS A 52 2.628 0.985 6.591 1.00 0.00 H +ATOM 879 HA LYS A 52 0.621 0.321 4.609 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.715 -0.988 6.062 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.906 -1.626 6.192 1.00 0.00 H +ATOM 882 HG2 LYS A 52 -0.519 0.103 8.234 1.00 0.00 H +ATOM 883 HG3 LYS A 52 -0.238 -1.625 8.351 1.00 0.00 H +ATOM 884 HD2 LYS A 52 2.253 -1.075 8.321 1.00 0.00 H +ATOM 885 HD3 LYS A 52 1.785 0.610 8.489 1.00 0.00 H +ATOM 886 HE2 LYS A 52 0.523 0.011 10.543 1.00 0.00 H +ATOM 887 HE3 LYS A 52 1.143 -1.624 10.404 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 2.776 0.819 10.834 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 3.428 -0.731 10.667 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 2.454 -0.365 11.970 1.00 0.00 H +ATOM 891 N ILE A 53 -0.821 2.118 5.409 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.603 3.256 5.776 1.00 0.00 C +ATOM 893 C ILE A 53 -2.940 2.735 6.195 1.00 0.00 C +ATOM 894 O ILE A 53 -3.522 1.898 5.501 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.780 4.267 4.603 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.408 4.750 4.105 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -2.638 5.461 5.043 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.475 5.710 2.934 1.00 0.00 C +ATOM 899 H ILE A 53 -1.054 1.601 4.604 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.127 3.746 6.614 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.289 3.760 3.797 1.00 0.00 H +ATOM 902 HG12 ILE A 53 0.096 5.257 4.914 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.178 3.894 3.806 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -2.160 5.960 5.874 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -3.622 5.128 5.343 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -2.737 6.158 4.224 1.00 0.00 H +ATOM 907 HD11 ILE A 53 0.526 5.965 2.620 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -0.987 6.609 3.246 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -1.011 5.253 2.116 1.00 0.00 H +ATOM 910 N LYS A 54 -3.413 3.173 7.317 1.00 0.00 N +ATOM 911 CA LYS A 54 -4.679 2.716 7.791 1.00 0.00 C +ATOM 912 C LYS A 54 -5.668 3.810 7.519 1.00 0.00 C +ATOM 913 O LYS A 54 -5.330 5.000 7.627 1.00 0.00 O +ATOM 914 CB LYS A 54 -4.638 2.297 9.299 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.667 3.421 10.370 1.00 0.00 C +ATOM 916 CD LYS A 54 -3.538 4.447 10.256 1.00 0.00 C +ATOM 917 CE LYS A 54 -2.159 3.829 10.357 1.00 0.00 C +ATOM 918 NZ LYS A 54 -1.095 4.857 10.292 1.00 0.00 N +ATOM 919 H LYS A 54 -2.932 3.869 7.806 1.00 0.00 H +ATOM 920 HA LYS A 54 -4.950 1.864 7.184 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.485 1.655 9.487 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -3.744 1.711 9.451 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -5.604 3.951 10.283 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -4.624 2.957 11.345 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -3.627 4.939 9.300 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -3.662 5.173 11.046 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -2.081 3.280 11.284 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -2.050 3.156 9.519 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -1.159 5.521 11.088 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -1.166 5.419 9.421 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -0.145 4.431 10.300 1.00 0.00 H +ATOM 932 N LEU A 55 -6.834 3.451 7.123 1.00 0.00 N +ATOM 933 CA LEU A 55 -7.798 4.428 6.759 1.00 0.00 C +ATOM 934 C LEU A 55 -8.657 4.691 7.977 1.00 0.00 C +ATOM 935 O LEU A 55 -9.379 3.809 8.428 1.00 0.00 O +ATOM 936 CB LEU A 55 -8.663 3.903 5.599 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.266 4.934 4.615 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -10.237 4.258 3.679 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -9.928 6.097 5.317 1.00 0.00 C +ATOM 940 H LEU A 55 -7.082 2.499 7.085 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.271 5.319 6.453 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.063 3.214 5.026 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.479 3.347 6.037 1.00 0.00 H +ATOM 944 HG LEU A 55 -8.464 5.313 3.998 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -11.014 3.783 4.259 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -9.721 3.517 3.087 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -10.684 4.995 3.030 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -9.193 6.633 5.899 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -10.688 5.710 5.980 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -10.376 6.757 4.589 1.00 0.00 H +ATOM 951 N ARG A 56 -8.563 5.870 8.527 1.00 0.00 N +ATOM 952 CA ARG A 56 -9.362 6.211 9.678 1.00 0.00 C +ATOM 953 C ARG A 56 -10.785 6.555 9.242 1.00 0.00 C +ATOM 954 O ARG A 56 -11.118 7.725 9.003 1.00 0.00 O +ATOM 955 CB ARG A 56 -8.739 7.357 10.477 1.00 0.00 C +ATOM 956 CG ARG A 56 -7.371 7.060 11.079 1.00 0.00 C +ATOM 957 CD ARG A 56 -7.425 5.923 12.083 1.00 0.00 C +ATOM 958 NE ARG A 56 -6.121 5.700 12.731 1.00 0.00 N +ATOM 959 CZ ARG A 56 -5.870 4.751 13.646 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -6.831 3.938 14.042 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -4.656 4.619 14.151 1.00 0.00 N +ATOM 962 H ARG A 56 -7.944 6.531 8.143 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.414 5.330 10.300 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -8.628 8.205 9.819 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -9.412 7.621 11.278 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -6.695 6.781 10.283 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -7.001 7.947 11.570 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -8.162 6.149 12.840 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -7.709 5.019 11.564 1.00 0.00 H +ATOM 970 HE ARG A 56 -5.405 6.308 12.437 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -7.764 3.993 13.681 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -6.671 3.217 14.726 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -3.884 5.204 13.892 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -4.458 3.888 14.814 1.00 0.00 H +ATOM 975 N SER A 57 -11.573 5.513 9.041 1.00 0.00 N +ATOM 976 CA SER A 57 -12.974 5.585 8.622 1.00 0.00 C +ATOM 977 C SER A 57 -13.632 4.229 8.844 1.00 0.00 C +ATOM 978 O SER A 57 -14.782 4.143 9.272 1.00 0.00 O +ATOM 979 CB SER A 57 -13.115 5.962 7.134 1.00 0.00 C +ATOM 980 OG SER A 57 -12.535 7.225 6.860 1.00 0.00 O +ATOM 981 H SER A 57 -11.180 4.629 9.214 1.00 0.00 H +ATOM 982 HA SER A 57 -13.463 6.329 9.233 1.00 0.00 H +ATOM 983 HB2 SER A 57 -12.638 5.212 6.522 1.00 0.00 H +ATOM 984 HB3 SER A 57 -14.165 6.004 6.886 1.00 0.00 H +ATOM 985 HG SER A 57 -12.109 7.504 7.684 1.00 0.00 H +ATOM 986 N SER A 58 -12.876 3.186 8.576 1.00 0.00 N +ATOM 987 CA SER A 58 -13.316 1.832 8.703 1.00 0.00 C +ATOM 988 C SER A 58 -12.047 0.989 8.766 1.00 0.00 C +ATOM 989 O SER A 58 -10.952 1.544 8.649 1.00 0.00 O +ATOM 990 CB SER A 58 -14.197 1.453 7.489 1.00 0.00 C +ATOM 991 OG SER A 58 -14.778 0.162 7.622 1.00 0.00 O +ATOM 992 H SER A 58 -11.941 3.283 8.296 1.00 0.00 H +ATOM 993 HA SER A 58 -13.873 1.731 9.622 1.00 0.00 H +ATOM 994 HB2 SER A 58 -14.987 2.182 7.388 1.00 0.00 H +ATOM 995 HB3 SER A 58 -13.594 1.478 6.594 1.00 0.00 H +ATOM 996 HG SER A 58 -15.666 0.292 7.980 1.00 0.00 H +ATOM 997 N GLY A 59 -12.167 -0.306 8.901 1.00 0.00 N +ATOM 998 CA GLY A 59 -10.999 -1.156 9.055 1.00 0.00 C +ATOM 999 C GLY A 59 -10.285 -1.477 7.761 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.013 -2.638 7.467 1.00 0.00 O +ATOM 1001 H GLY A 59 -13.070 -0.695 8.896 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.294 -0.643 9.690 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.292 -2.080 9.528 1.00 0.00 H +ATOM 1004 N TYR A 60 -9.964 -0.467 7.001 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.244 -0.655 5.775 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.833 -0.157 5.933 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.578 0.800 6.663 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.925 0.039 4.599 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.275 -0.537 4.231 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -11.376 -1.712 3.499 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -12.444 0.101 4.601 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -12.608 -2.232 3.147 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -13.680 -0.407 4.250 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.755 -1.576 3.524 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.986 -2.076 3.154 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.197 0.441 7.302 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.212 -1.718 5.585 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.065 1.081 4.842 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.283 -0.034 3.733 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -10.472 -2.226 3.204 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -12.368 1.018 5.165 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -12.668 -3.147 2.577 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -14.581 0.108 4.549 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.005 -3.035 3.272 1.00 0.00 H +ATOM 1025 N ARG A 61 -6.927 -0.853 5.333 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.532 -0.515 5.335 1.00 0.00 C +ATOM 1027 C ARG A 61 -4.930 -0.888 4.003 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.413 -1.805 3.325 1.00 0.00 O +ATOM 1029 CB ARG A 61 -4.736 -1.167 6.506 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.012 -2.649 6.737 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.241 -2.849 7.623 1.00 0.00 C +ATOM 1032 NE ARG A 61 -5.961 -2.538 9.039 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -6.531 -1.569 9.780 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -7.298 -0.639 9.221 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -6.275 -1.511 11.080 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.183 -1.652 4.816 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.482 0.560 5.431 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -3.681 -1.053 6.308 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -4.971 -0.633 7.416 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -5.182 -3.126 5.784 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -4.154 -3.096 7.220 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -7.027 -2.196 7.269 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.569 -3.874 7.540 1.00 0.00 H +ATOM 1044 HE ARG A 61 -5.323 -3.146 9.482 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -7.494 -0.594 8.240 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -7.725 0.086 9.773 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -5.663 -2.173 11.524 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -6.688 -0.820 11.680 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.928 -0.181 3.618 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.259 -0.429 2.378 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.793 -0.690 2.675 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.155 0.097 3.375 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.492 0.771 1.426 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.948 0.675 -0.010 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.669 1.666 -0.896 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.472 0.983 -0.045 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.606 0.551 4.192 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.689 -1.320 1.947 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.558 0.927 1.357 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.059 1.643 1.892 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.104 -0.321 -0.398 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.262 1.604 -1.895 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.546 2.664 -0.504 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -4.719 1.416 -0.925 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -0.937 0.257 0.550 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.318 1.968 0.369 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.121 0.954 -1.065 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.281 -1.790 2.162 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.079 -2.218 2.427 1.00 0.00 C +ATOM 1070 C VAL A 63 0.914 -2.142 1.153 1.00 0.00 C +ATOM 1071 O VAL A 63 0.562 -2.736 0.112 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.110 -3.670 2.992 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.534 -4.128 3.284 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.742 -3.773 4.247 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.814 -2.340 1.545 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.503 -1.552 3.165 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.309 -4.330 2.246 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.107 -4.138 2.369 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 1.515 -5.117 3.719 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 1.990 -3.445 3.985 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.360 -3.093 4.994 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.701 -4.783 4.628 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -1.765 -3.516 4.018 1.00 0.00 H +ATOM 1084 N TYR A 64 1.998 -1.432 1.230 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.872 -1.251 0.111 1.00 0.00 C +ATOM 1086 C TYR A 64 4.313 -1.392 0.542 1.00 0.00 C +ATOM 1087 O TYR A 64 4.620 -1.273 1.719 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.630 0.118 -0.568 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.778 1.354 0.311 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.006 1.750 0.828 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.681 2.133 0.592 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.119 2.879 1.598 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.783 3.262 1.357 1.00 0.00 C +ATOM 1094 CZ TYR A 64 3.008 3.633 1.860 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.120 4.759 2.628 1.00 0.00 O +ATOM 1096 H TYR A 64 2.246 -1.018 2.090 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.655 -2.029 -0.604 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.303 0.237 -1.401 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.620 0.122 -0.950 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.881 1.152 0.618 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.721 1.837 0.197 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.081 3.172 1.989 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.897 3.849 1.545 1.00 0.00 H +ATOM 1104 HH TYR A 64 2.418 4.761 3.285 1.00 0.00 H +ATOM 1105 N GLN A 65 5.177 -1.673 -0.378 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.580 -1.719 -0.084 1.00 0.00 C +ATOM 1107 C GLN A 65 7.257 -0.530 -0.724 1.00 0.00 C +ATOM 1108 O GLN A 65 6.921 -0.142 -1.855 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.238 -3.042 -0.514 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.153 -3.366 -2.005 1.00 0.00 C +ATOM 1111 CD GLN A 65 7.877 -4.660 -2.377 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.481 -5.365 -3.310 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 8.957 -4.964 -1.693 1.00 0.00 N +ATOM 1114 H GLN A 65 4.870 -1.828 -1.301 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.672 -1.605 0.985 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.280 -2.998 -0.242 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.769 -3.845 0.035 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.113 -3.459 -2.282 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.598 -2.549 -2.556 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.256 -4.355 -0.982 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.432 -5.791 -1.915 1.00 0.00 H +ATOM 1122 N VAL A 66 8.153 0.076 -0.010 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.868 1.212 -0.522 1.00 0.00 C +ATOM 1124 C VAL A 66 10.204 0.763 -1.047 1.00 0.00 C +ATOM 1125 O VAL A 66 11.048 0.263 -0.299 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.050 2.335 0.545 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.919 3.476 0.012 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.699 2.881 0.963 1.00 0.00 C +ATOM 1129 H VAL A 66 8.380 -0.257 0.887 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.296 1.607 -1.350 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.530 1.913 1.415 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 10.889 3.087 -0.258 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 10.038 4.224 0.781 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.450 3.916 -0.854 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.195 3.301 0.105 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.835 3.648 1.713 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 7.101 2.081 1.372 1.00 0.00 H +ATOM 1138 N ILE A 67 10.382 0.895 -2.325 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.615 0.545 -2.931 1.00 0.00 C +ATOM 1140 C ILE A 67 12.392 1.825 -3.117 1.00 0.00 C +ATOM 1141 O ILE A 67 12.181 2.563 -4.088 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.420 -0.154 -4.304 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.439 -1.336 -4.172 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.770 -0.644 -4.831 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 10.107 -2.020 -5.488 1.00 0.00 C +ATOM 1146 H ILE A 67 9.666 1.277 -2.886 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.151 -0.111 -2.261 1.00 0.00 H +ATOM 1148 HB ILE A 67 11.018 0.567 -4.999 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.868 -2.079 -3.516 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.515 -0.977 -3.739 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 13.431 0.199 -4.968 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 12.630 -1.149 -5.776 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.202 -1.329 -4.117 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 11.011 -2.418 -5.924 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.668 -1.301 -6.164 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 9.406 -2.822 -5.311 1.00 0.00 H +ATOM 1157 N ASP A 68 13.249 2.103 -2.173 1.00 0.00 N +ATOM 1158 CA ASP A 68 14.049 3.323 -2.158 1.00 0.00 C +ATOM 1159 C ASP A 68 15.021 3.341 -3.320 1.00 0.00 C +ATOM 1160 O ASP A 68 15.238 4.382 -3.943 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.827 3.426 -0.844 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.660 4.685 -0.754 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 16.788 4.724 -1.309 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 15.221 5.653 -0.118 1.00 0.00 O +ATOM 1165 H ASP A 68 13.352 1.451 -1.446 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.382 4.168 -2.234 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 14.131 3.417 -0.018 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.484 2.574 -0.756 1.00 0.00 H +ATOM 1169 N GLU A 69 15.549 2.169 -3.646 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.521 2.012 -4.733 1.00 0.00 C +ATOM 1171 C GLU A 69 15.936 2.434 -6.082 1.00 0.00 C +ATOM 1172 O GLU A 69 16.659 2.864 -6.974 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.977 0.571 -4.846 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.700 0.002 -3.642 1.00 0.00 C +ATOM 1175 CD GLU A 69 18.053 -1.451 -3.858 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 17.127 -2.282 -3.986 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 19.244 -1.786 -3.964 1.00 0.00 O +ATOM 1178 H GLU A 69 15.290 1.383 -3.115 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.380 2.628 -4.516 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 16.106 -0.043 -5.025 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.632 0.504 -5.700 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 18.612 0.558 -3.485 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 17.070 0.084 -2.772 1.00 0.00 H +ATOM 1184 N LYS A 70 14.638 2.272 -6.234 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.965 2.615 -7.476 1.00 0.00 C +ATOM 1186 C LYS A 70 13.105 3.870 -7.323 1.00 0.00 C +ATOM 1187 O LYS A 70 12.538 4.358 -8.299 1.00 0.00 O +ATOM 1188 CB LYS A 70 13.125 1.438 -7.977 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.936 0.212 -8.376 1.00 0.00 C +ATOM 1190 CD LYS A 70 13.029 -0.919 -8.837 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.828 -2.123 -9.317 1.00 0.00 C +ATOM 1192 NZ LYS A 70 14.600 -1.843 -10.551 1.00 0.00 N +ATOM 1193 H LYS A 70 14.116 1.922 -5.483 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.733 2.822 -8.206 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.462 1.136 -7.181 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.540 1.755 -8.827 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.618 0.471 -9.172 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.498 -0.120 -7.515 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 12.398 -1.225 -8.015 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.410 -0.561 -9.647 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 14.512 -2.420 -8.538 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 13.139 -2.932 -9.511 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 13.973 -1.603 -11.344 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 15.127 -2.701 -10.819 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 15.293 -1.079 -10.418 1.00 0.00 H +ATOM 1206 N VAL A 71 13.015 4.378 -6.085 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.214 5.575 -5.746 1.00 0.00 C +ATOM 1208 C VAL A 71 10.710 5.312 -6.080 1.00 0.00 C +ATOM 1209 O VAL A 71 9.962 6.188 -6.514 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.776 6.862 -6.481 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 12.082 8.147 -6.030 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.269 6.990 -6.247 1.00 0.00 C +ATOM 1213 H VAL A 71 13.515 3.933 -5.368 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.295 5.704 -4.675 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.614 6.741 -7.543 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 11.031 8.076 -6.263 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.510 8.993 -6.547 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.205 8.274 -4.965 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.452 7.122 -5.190 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.656 7.835 -6.795 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.753 6.083 -6.579 1.00 0.00 H +ATOM 1222 N VAL A 72 10.265 4.111 -5.805 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.904 3.740 -6.114 1.00 0.00 C +ATOM 1224 C VAL A 72 8.236 3.054 -4.925 1.00 0.00 C +ATOM 1225 O VAL A 72 8.861 2.282 -4.185 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.806 2.856 -7.417 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.540 1.540 -7.271 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.356 2.615 -7.839 1.00 0.00 C +ATOM 1229 H VAL A 72 10.851 3.469 -5.350 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.369 4.662 -6.293 1.00 0.00 H +ATOM 1231 HB VAL A 72 9.296 3.405 -8.209 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 9.100 0.969 -6.467 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 10.577 1.744 -7.048 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 9.466 0.986 -8.195 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.837 2.094 -7.048 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 7.335 2.015 -8.736 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.867 3.560 -8.027 1.00 0.00 H +ATOM 1238 N VAL A 73 7.012 3.407 -4.722 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.162 2.854 -3.727 1.00 0.00 C +ATOM 1240 C VAL A 73 5.259 1.849 -4.434 1.00 0.00 C +ATOM 1241 O VAL A 73 4.465 2.213 -5.315 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.315 3.973 -3.074 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.362 3.414 -2.055 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.214 5.017 -2.433 1.00 0.00 C +ATOM 1245 H VAL A 73 6.615 4.095 -5.298 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.762 2.359 -2.978 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.744 4.460 -3.851 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 3.787 4.219 -1.620 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 4.921 2.908 -1.280 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.693 2.714 -2.534 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 6.822 4.548 -1.674 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 5.609 5.788 -1.981 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 6.853 5.455 -3.186 1.00 0.00 H +ATOM 1254 N PHE A 74 5.406 0.612 -4.082 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.723 -0.456 -4.760 1.00 0.00 C +ATOM 1256 C PHE A 74 3.656 -1.070 -3.857 1.00 0.00 C +ATOM 1257 O PHE A 74 3.976 -1.701 -2.851 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.766 -1.500 -5.181 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.236 -2.628 -6.001 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 5.009 -2.457 -7.348 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 4.983 -3.860 -5.431 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.538 -3.490 -8.116 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.509 -4.898 -6.194 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.286 -4.709 -7.541 1.00 0.00 C +ATOM 1265 H PHE A 74 5.991 0.389 -3.322 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.259 -0.057 -5.648 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.533 -1.012 -5.764 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.218 -1.914 -4.291 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 5.205 -1.496 -7.800 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.160 -4.003 -4.375 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.367 -3.338 -9.170 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.310 -5.857 -5.740 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.911 -5.518 -8.149 1.00 0.00 H +ATOM 1274 N VAL A 75 2.400 -0.870 -4.210 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.273 -1.388 -3.438 1.00 0.00 C +ATOM 1276 C VAL A 75 1.136 -2.875 -3.681 1.00 0.00 C +ATOM 1277 O VAL A 75 0.987 -3.307 -4.826 1.00 0.00 O +ATOM 1278 CB VAL A 75 -0.061 -0.671 -3.807 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.235 -1.198 -2.970 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.076 0.837 -3.653 1.00 0.00 C +ATOM 1281 H VAL A 75 2.227 -0.372 -5.042 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.484 -1.233 -2.392 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.277 -0.889 -4.843 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.369 -2.252 -3.160 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -2.144 -0.670 -3.218 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -1.027 -1.058 -1.920 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.360 1.076 -2.639 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 -0.869 1.307 -3.881 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.831 1.201 -4.334 1.00 0.00 H +ATOM 1290 N ILE A 76 1.193 -3.650 -2.618 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.133 -5.091 -2.740 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.273 -5.594 -2.423 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.808 -6.465 -3.108 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.124 -5.790 -1.770 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.543 -5.221 -1.908 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.143 -7.292 -2.036 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.526 -5.795 -0.901 1.00 0.00 C +ATOM 1298 H ILE A 76 1.271 -3.243 -1.727 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.396 -5.359 -3.753 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.776 -5.631 -0.759 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 3.916 -5.451 -2.895 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.511 -4.149 -1.776 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 1.185 -7.722 -1.780 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 2.935 -7.753 -1.466 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 2.332 -7.450 -3.087 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 5.498 -5.355 -1.056 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.590 -6.865 -1.031 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 4.185 -5.576 0.102 1.00 0.00 H +ATOM 1309 N SER A 77 -0.876 -5.047 -1.391 1.00 0.00 N +ATOM 1310 CA SER A 77 -2.178 -5.499 -0.954 1.00 0.00 C +ATOM 1311 C SER A 77 -2.970 -4.344 -0.364 1.00 0.00 C +ATOM 1312 O SER A 77 -2.394 -3.405 0.181 1.00 0.00 O +ATOM 1313 CB SER A 77 -2.015 -6.627 0.076 1.00 0.00 C +ATOM 1314 OG SER A 77 -1.302 -7.719 -0.484 1.00 0.00 O +ATOM 1315 H SER A 77 -0.458 -4.307 -0.897 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.706 -5.888 -1.813 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.462 -6.254 0.925 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.989 -6.969 0.397 1.00 0.00 H +ATOM 1319 HG SER A 77 -1.128 -7.516 -1.413 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.267 -4.403 -0.488 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.127 -3.362 -0.000 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.471 -3.968 0.425 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.959 -4.906 -0.218 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.308 -2.241 -1.088 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.883 -2.780 -2.388 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.137 -1.091 -0.576 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.704 -5.173 -0.910 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.655 -2.930 0.871 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.320 -1.868 -1.318 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -6.852 -3.217 -2.198 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.220 -3.534 -2.787 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -5.984 -1.977 -3.102 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.651 -0.669 0.293 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -7.125 -1.436 -0.316 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.195 -0.340 -1.350 1.00 0.00 H +ATOM 1336 N GLY A 79 -7.011 -3.500 1.533 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.291 -3.978 1.997 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.340 -4.056 3.498 1.00 0.00 C +ATOM 1339 O GLY A 79 -7.770 -3.210 4.182 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.533 -2.837 2.081 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -9.063 -3.303 1.658 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.468 -4.960 1.586 1.00 0.00 H +ATOM 1343 N LYS A 80 -9.012 -5.042 4.017 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.085 -5.225 5.446 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.052 -6.235 5.892 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.632 -7.098 5.112 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.461 -5.707 5.889 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.612 -4.751 5.615 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.917 -5.288 6.195 1.00 0.00 C +ATOM 1350 CE LYS A 80 -12.851 -5.399 7.723 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -14.047 -6.035 8.292 1.00 0.00 N +ATOM 1352 H LYS A 80 -9.461 -5.679 3.421 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.878 -4.276 5.917 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.678 -6.640 5.390 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.403 -5.885 6.951 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.387 -3.797 6.066 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.722 -4.634 4.546 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -13.716 -4.613 5.924 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.116 -6.263 5.777 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -11.998 -5.990 8.015 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -12.755 -4.405 8.135 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -13.953 -6.109 9.326 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -14.145 -7.003 7.930 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -14.913 -5.501 8.076 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.658 -6.142 7.131 1.00 0.00 N +ATOM 1366 CA ALA A 81 -6.709 -7.052 7.700 1.00 0.00 C +ATOM 1367 C ALA A 81 -7.108 -7.347 9.121 1.00 0.00 C +ATOM 1368 O ALA A 81 -6.930 -6.501 10.005 1.00 0.00 O +ATOM 1369 CB ALA A 81 -5.311 -6.457 7.671 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.037 -5.449 7.713 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.708 -7.958 7.110 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -4.608 -7.171 8.077 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -5.294 -5.561 8.274 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -5.038 -6.216 6.655 1.00 0.00 H +ATOM 1375 N GLU A 82 -7.710 -8.498 9.339 1.00 0.00 N +ATOM 1376 CA GLU A 82 -8.094 -8.887 10.681 1.00 0.00 C +ATOM 1377 C GLU A 82 -6.861 -9.156 11.516 1.00 0.00 C +ATOM 1378 O GLU A 82 -6.755 -8.698 12.650 1.00 0.00 O +ATOM 1379 CB GLU A 82 -9.010 -10.116 10.684 1.00 0.00 C +ATOM 1380 CG GLU A 82 -10.341 -9.906 9.990 1.00 0.00 C +ATOM 1381 CD GLU A 82 -11.092 -8.716 10.534 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -11.328 -8.650 11.766 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -11.433 -7.811 9.751 1.00 0.00 O +ATOM 1384 H GLU A 82 -7.937 -9.091 8.590 1.00 0.00 H +ATOM 1385 HA GLU A 82 -8.623 -8.053 11.118 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -8.500 -10.929 10.189 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -9.201 -10.400 11.707 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -10.162 -9.748 8.937 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -10.948 -10.789 10.121 1.00 0.00 H +ATOM 1390 N ALA A 83 -5.932 -9.886 10.955 1.00 0.00 N +ATOM 1391 CA ALA A 83 -4.716 -10.205 11.651 1.00 0.00 C +ATOM 1392 C ALA A 83 -3.545 -10.367 10.697 1.00 0.00 C +ATOM 1393 O ALA A 83 -2.579 -9.615 10.757 1.00 0.00 O +ATOM 1394 CB ALA A 83 -4.898 -11.468 12.477 1.00 0.00 C +ATOM 1395 H ALA A 83 -6.089 -10.231 10.051 1.00 0.00 H +ATOM 1396 HA ALA A 83 -4.503 -9.395 12.334 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -5.720 -11.331 13.163 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -3.991 -11.672 13.024 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -5.114 -12.299 11.820 1.00 0.00 H +ATOM 1400 N SER A 84 -3.632 -11.319 9.808 1.00 0.00 N +ATOM 1401 CA SER A 84 -2.504 -11.653 8.966 1.00 0.00 C +ATOM 1402 C SER A 84 -2.829 -11.705 7.464 1.00 0.00 C +ATOM 1403 O SER A 84 -1.977 -12.100 6.668 1.00 0.00 O +ATOM 1404 CB SER A 84 -1.940 -12.985 9.463 1.00 0.00 C +ATOM 1405 OG SER A 84 -3.009 -13.863 9.843 1.00 0.00 O +ATOM 1406 H SER A 84 -4.453 -11.853 9.722 1.00 0.00 H +ATOM 1407 HA SER A 84 -1.742 -10.907 9.130 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -1.360 -13.452 8.681 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -1.318 -12.806 10.327 1.00 0.00 H +ATOM 1410 HG SER A 84 -3.053 -14.606 9.225 1.00 0.00 H +ATOM 1411 N GLU A 85 -4.015 -11.239 7.079 1.00 0.00 N +ATOM 1412 CA GLU A 85 -4.494 -11.325 5.676 1.00 0.00 C +ATOM 1413 C GLU A 85 -3.538 -10.624 4.708 1.00 0.00 C +ATOM 1414 O GLU A 85 -3.032 -11.224 3.764 1.00 0.00 O +ATOM 1415 CB GLU A 85 -5.849 -10.629 5.575 1.00 0.00 C +ATOM 1416 CG GLU A 85 -6.630 -10.930 4.308 1.00 0.00 C +ATOM 1417 CD GLU A 85 -7.053 -12.372 4.255 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -7.681 -12.837 5.231 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -6.741 -13.074 3.270 1.00 0.00 O +ATOM 1420 H GLU A 85 -4.615 -10.870 7.759 1.00 0.00 H +ATOM 1421 HA GLU A 85 -4.617 -12.361 5.396 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -6.448 -10.927 6.418 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -5.688 -9.561 5.624 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -7.510 -10.305 4.279 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -6.006 -10.718 3.453 1.00 0.00 H +ATOM 1426 N VAL A 86 -3.228 -9.385 5.013 1.00 0.00 N +ATOM 1427 CA VAL A 86 -2.386 -8.585 4.146 1.00 0.00 C +ATOM 1428 C VAL A 86 -0.923 -8.981 4.269 1.00 0.00 C +ATOM 1429 O VAL A 86 -0.160 -8.834 3.336 1.00 0.00 O +ATOM 1430 CB VAL A 86 -2.571 -7.062 4.398 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -3.994 -6.633 4.063 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -2.226 -6.691 5.839 1.00 0.00 C +ATOM 1433 H VAL A 86 -3.594 -8.993 5.830 1.00 0.00 H +ATOM 1434 HA VAL A 86 -2.697 -8.800 3.134 1.00 0.00 H +ATOM 1435 HB VAL A 86 -1.908 -6.529 3.736 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -4.193 -6.834 3.020 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -4.109 -5.577 4.256 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -4.688 -7.190 4.675 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -1.194 -6.941 6.038 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -2.863 -7.243 6.514 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -2.378 -5.633 5.987 1.00 0.00 H +ATOM 1442 N TYR A 87 -0.562 -9.534 5.413 1.00 0.00 N +ATOM 1443 CA TYR A 87 0.808 -9.943 5.660 1.00 0.00 C +ATOM 1444 C TYR A 87 1.146 -11.166 4.850 1.00 0.00 C +ATOM 1445 O TYR A 87 2.213 -11.237 4.256 1.00 0.00 O +ATOM 1446 CB TYR A 87 1.051 -10.217 7.144 1.00 0.00 C +ATOM 1447 CG TYR A 87 0.972 -8.992 8.021 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 -0.236 -8.560 8.550 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 2.114 -8.269 8.324 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 -0.302 -7.441 9.353 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 2.058 -7.154 9.128 1.00 0.00 C +ATOM 1452 CZ TYR A 87 0.848 -6.743 9.641 1.00 0.00 C +ATOM 1453 OH TYR A 87 0.787 -5.630 10.450 1.00 0.00 O +ATOM 1454 H TYR A 87 -1.250 -9.683 6.092 1.00 0.00 H +ATOM 1455 HA TYR A 87 1.452 -9.134 5.347 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 0.313 -10.924 7.493 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 2.033 -10.651 7.262 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 -1.137 -9.109 8.322 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 3.062 -8.592 7.920 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 -1.251 -7.119 9.754 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 2.961 -6.605 9.345 1.00 0.00 H +ATOM 1462 HH TYR A 87 0.201 -5.837 11.189 1.00 0.00 H +ATOM 1463 N SER A 88 0.201 -12.098 4.793 1.00 0.00 N +ATOM 1464 CA SER A 88 0.376 -13.348 4.076 1.00 0.00 C +ATOM 1465 C SER A 88 0.664 -13.090 2.593 1.00 0.00 C +ATOM 1466 O SER A 88 1.666 -13.569 2.052 1.00 0.00 O +ATOM 1467 CB SER A 88 -0.878 -14.220 4.228 1.00 0.00 C +ATOM 1468 OG SER A 88 -1.181 -14.468 5.606 1.00 0.00 O +ATOM 1469 H SER A 88 -0.653 -11.936 5.247 1.00 0.00 H +ATOM 1470 HA SER A 88 1.216 -13.870 4.510 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -1.718 -13.715 3.774 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -0.715 -15.164 3.731 1.00 0.00 H +ATOM 1473 HG SER A 88 -1.342 -13.621 6.040 1.00 0.00 H +ATOM 1474 N GLU A 89 -0.175 -12.281 1.964 1.00 0.00 N +ATOM 1475 CA GLU A 89 -0.006 -12.000 0.558 1.00 0.00 C +ATOM 1476 C GLU A 89 1.211 -11.136 0.291 1.00 0.00 C +ATOM 1477 O GLU A 89 1.902 -11.333 -0.706 1.00 0.00 O +ATOM 1478 CB GLU A 89 -1.261 -11.399 -0.067 1.00 0.00 C +ATOM 1479 CG GLU A 89 -2.454 -12.334 -0.032 1.00 0.00 C +ATOM 1480 CD GLU A 89 -3.569 -11.886 -0.937 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -3.404 -11.990 -2.182 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -4.632 -11.441 -0.442 1.00 0.00 O +ATOM 1483 H GLU A 89 -0.927 -11.878 2.445 1.00 0.00 H +ATOM 1484 HA GLU A 89 0.179 -12.955 0.088 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -1.518 -10.493 0.465 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -1.053 -11.154 -1.097 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -2.132 -13.315 -0.351 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -2.827 -12.392 0.980 1.00 0.00 H +ATOM 1489 N ALA A 90 1.495 -10.211 1.190 1.00 0.00 N +ATOM 1490 CA ALA A 90 2.636 -9.339 1.031 1.00 0.00 C +ATOM 1491 C ALA A 90 3.945 -10.113 1.101 1.00 0.00 C +ATOM 1492 O ALA A 90 4.790 -9.995 0.209 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.623 -8.209 2.050 1.00 0.00 C +ATOM 1494 H ALA A 90 0.912 -10.103 1.972 1.00 0.00 H +ATOM 1495 HA ALA A 90 2.556 -8.906 0.047 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 3.438 -7.531 1.849 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 2.729 -8.619 3.044 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 1.687 -7.676 1.980 1.00 0.00 H +ATOM 1499 N VAL A 91 4.096 -10.946 2.121 1.00 0.00 N +ATOM 1500 CA VAL A 91 5.334 -11.682 2.298 1.00 0.00 C +ATOM 1501 C VAL A 91 5.513 -12.731 1.195 1.00 0.00 C +ATOM 1502 O VAL A 91 6.611 -12.914 0.687 1.00 0.00 O +ATOM 1503 CB VAL A 91 5.482 -12.309 3.729 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 4.508 -13.449 3.983 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 6.918 -12.737 4.000 1.00 0.00 C +ATOM 1506 H VAL A 91 3.363 -11.064 2.767 1.00 0.00 H +ATOM 1507 HA VAL A 91 6.126 -10.961 2.155 1.00 0.00 H +ATOM 1508 HB VAL A 91 5.234 -11.531 4.436 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 4.666 -13.844 4.975 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 4.669 -14.227 3.252 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 3.495 -13.086 3.896 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 6.987 -13.168 4.987 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 7.570 -11.879 3.938 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 7.216 -13.471 3.266 1.00 0.00 H +ATOM 1515 N LYS A 92 4.422 -13.358 0.772 1.00 0.00 N +ATOM 1516 CA LYS A 92 4.491 -14.363 -0.276 1.00 0.00 C +ATOM 1517 C LYS A 92 4.632 -13.737 -1.659 1.00 0.00 C +ATOM 1518 O LYS A 92 4.864 -14.431 -2.653 1.00 0.00 O +ATOM 1519 CB LYS A 92 3.321 -15.350 -0.222 1.00 0.00 C +ATOM 1520 CG LYS A 92 3.277 -16.213 1.050 1.00 0.00 C +ATOM 1521 CD LYS A 92 4.595 -16.967 1.298 1.00 0.00 C +ATOM 1522 CE LYS A 92 5.008 -17.842 0.112 1.00 0.00 C +ATOM 1523 NZ LYS A 92 4.040 -18.927 -0.176 1.00 0.00 N +ATOM 1524 H LYS A 92 3.551 -13.153 1.183 1.00 0.00 H +ATOM 1525 HA LYS A 92 5.406 -14.908 -0.098 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 2.399 -14.791 -0.282 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 3.380 -16.008 -1.077 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 3.085 -15.569 1.896 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 2.473 -16.927 0.958 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 5.382 -16.256 1.494 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 4.468 -17.598 2.165 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 5.089 -17.214 -0.763 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 5.976 -18.272 0.320 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 3.972 -19.603 0.611 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 4.356 -19.436 -1.026 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 3.097 -18.537 -0.374 1.00 0.00 H +ATOM 1537 N ARG A 93 4.448 -12.443 -1.740 1.00 0.00 N +ATOM 1538 CA ARG A 93 4.649 -11.757 -2.989 1.00 0.00 C +ATOM 1539 C ARG A 93 6.126 -11.467 -3.156 1.00 0.00 C +ATOM 1540 O ARG A 93 6.684 -11.533 -4.268 1.00 0.00 O +ATOM 1541 CB ARG A 93 3.822 -10.473 -3.057 1.00 0.00 C +ATOM 1542 CG ARG A 93 3.766 -9.842 -4.437 1.00 0.00 C +ATOM 1543 CD ARG A 93 3.226 -10.837 -5.452 1.00 0.00 C +ATOM 1544 NE ARG A 93 2.992 -10.232 -6.744 1.00 0.00 N +ATOM 1545 CZ ARG A 93 2.975 -10.863 -7.912 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 3.350 -12.142 -8.012 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 2.624 -10.185 -8.980 1.00 0.00 N +ATOM 1548 H ARG A 93 4.145 -11.946 -0.949 1.00 0.00 H +ATOM 1549 HA ARG A 93 4.345 -12.426 -3.773 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 2.812 -10.691 -2.741 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 4.249 -9.753 -2.374 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 3.116 -8.981 -4.412 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 4.760 -9.543 -4.732 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 3.953 -11.624 -5.585 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 2.301 -11.255 -5.082 1.00 0.00 H +ATOM 1556 HE ARG A 93 2.777 -9.264 -6.747 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 3.661 -12.667 -7.216 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 3.340 -12.621 -8.895 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 2.398 -9.212 -8.845 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 2.520 -10.570 -9.903 1.00 0.00 H +ATOM 1561 N ILE A 94 6.757 -11.199 -2.052 1.00 0.00 N +ATOM 1562 CA ILE A 94 8.160 -10.916 -2.019 1.00 0.00 C +ATOM 1563 C ILE A 94 8.953 -12.223 -2.097 1.00 0.00 C +ATOM 1564 O ILE A 94 9.847 -12.361 -2.927 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.509 -10.124 -0.740 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 7.685 -8.831 -0.728 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 10.005 -9.811 -0.684 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 7.752 -8.068 0.560 1.00 0.00 C +ATOM 1569 H ILE A 94 6.246 -11.186 -1.214 1.00 0.00 H +ATOM 1570 HA ILE A 94 8.395 -10.307 -2.878 1.00 0.00 H +ATOM 1571 HB ILE A 94 8.239 -10.710 0.126 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 8.042 -8.177 -1.511 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 6.651 -9.075 -0.921 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 10.226 -9.262 0.220 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 10.280 -9.219 -1.544 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 10.561 -10.736 -0.691 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 7.150 -7.177 0.469 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 8.778 -7.814 0.780 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 7.344 -8.700 1.334 1.00 0.00 H +ATOM 1580 N LEU A 95 8.584 -13.185 -1.277 1.00 0.00 N +ATOM 1581 CA LEU A 95 9.262 -14.467 -1.248 1.00 0.00 C +ATOM 1582 C LEU A 95 8.806 -15.342 -2.395 1.00 0.00 C +ATOM 1583 O LEU A 95 9.418 -15.266 -3.479 1.00 0.00 O +ATOM 1584 CB LEU A 95 9.042 -15.182 0.087 1.00 0.00 C +ATOM 1585 CG LEU A 95 9.601 -14.483 1.323 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 9.272 -15.280 2.565 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 11.103 -14.300 1.198 1.00 0.00 C +ATOM 1588 OXT LEU A 95 7.855 -16.122 -2.242 1.00 0.00 O +ATOM 1589 H LEU A 95 7.825 -13.050 -0.667 1.00 0.00 H +ATOM 1590 HA LEU A 95 10.318 -14.280 -1.371 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 7.978 -15.304 0.226 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 9.491 -16.162 0.022 1.00 0.00 H +ATOM 1593 HG LEU A 95 9.145 -13.508 1.420 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 9.725 -16.258 2.502 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 8.201 -15.388 2.648 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 9.648 -14.761 3.435 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 11.570 -15.266 1.079 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 11.475 -13.829 2.096 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 11.329 -13.678 0.345 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 6 +ATOM 1 N MET A 1 10.761 15.733 -2.178 1.00 0.00 N +ATOM 2 CA MET A 1 11.071 14.554 -2.953 1.00 0.00 C +ATOM 3 C MET A 1 9.784 13.797 -3.125 1.00 0.00 C +ATOM 4 O MET A 1 8.932 13.852 -2.250 1.00 0.00 O +ATOM 5 CB MET A 1 12.095 13.687 -2.213 1.00 0.00 C +ATOM 6 CG MET A 1 12.599 12.486 -3.002 1.00 0.00 C +ATOM 7 SD MET A 1 13.770 11.484 -2.069 1.00 0.00 S +ATOM 8 CE MET A 1 14.187 10.241 -3.284 1.00 0.00 C +ATOM 9 H MET A 1 11.600 16.306 -1.969 1.00 0.00 H +ATOM 10 HA MET A 1 11.459 14.863 -3.911 1.00 0.00 H +ATOM 11 HB2 MET A 1 12.947 14.295 -1.949 1.00 0.00 H +ATOM 12 HB3 MET A 1 11.628 13.321 -1.312 1.00 0.00 H +ATOM 13 HG2 MET A 1 11.757 11.867 -3.274 1.00 0.00 H +ATOM 14 HG3 MET A 1 13.088 12.842 -3.896 1.00 0.00 H +ATOM 15 HE1 MET A 1 14.631 10.716 -4.147 1.00 0.00 H +ATOM 16 HE2 MET A 1 13.295 9.712 -3.583 1.00 0.00 H +ATOM 17 HE3 MET A 1 14.894 9.547 -2.853 1.00 0.00 H +ATOM 18 N ALA A 2 9.618 13.141 -4.235 1.00 0.00 N +ATOM 19 CA ALA A 2 8.435 12.366 -4.487 1.00 0.00 C +ATOM 20 C ALA A 2 8.814 11.024 -5.065 1.00 0.00 C +ATOM 21 O ALA A 2 9.795 10.908 -5.815 1.00 0.00 O +ATOM 22 CB ALA A 2 7.488 13.106 -5.424 1.00 0.00 C +ATOM 23 H ALA A 2 10.318 13.172 -4.923 1.00 0.00 H +ATOM 24 HA ALA A 2 7.933 12.211 -3.544 1.00 0.00 H +ATOM 25 HB1 ALA A 2 7.232 14.065 -4.998 1.00 0.00 H +ATOM 26 HB2 ALA A 2 6.590 12.520 -5.557 1.00 0.00 H +ATOM 27 HB3 ALA A 2 7.969 13.252 -6.380 1.00 0.00 H +ATOM 28 N TYR A 3 8.086 10.021 -4.683 1.00 0.00 N +ATOM 29 CA TYR A 3 8.287 8.682 -5.180 1.00 0.00 C +ATOM 30 C TYR A 3 7.163 8.335 -6.132 1.00 0.00 C +ATOM 31 O TYR A 3 6.172 9.071 -6.228 1.00 0.00 O +ATOM 32 CB TYR A 3 8.332 7.660 -4.027 1.00 0.00 C +ATOM 33 CG TYR A 3 9.540 7.761 -3.102 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.836 8.933 -2.408 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.363 6.664 -2.901 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.911 9.005 -1.553 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.444 6.731 -2.048 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.714 7.902 -1.376 1.00 0.00 C +ATOM 39 OH TYR A 3 12.780 7.963 -0.506 1.00 0.00 O +ATOM 40 H TYR A 3 7.369 10.183 -4.035 1.00 0.00 H +ATOM 41 HA TYR A 3 9.225 8.658 -5.713 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.448 7.766 -3.418 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.333 6.671 -4.459 1.00 0.00 H +ATOM 44 HD1 TYR A 3 9.204 9.798 -2.550 1.00 0.00 H +ATOM 45 HD2 TYR A 3 10.153 5.745 -3.429 1.00 0.00 H +ATOM 46 HE1 TYR A 3 11.122 9.923 -1.026 1.00 0.00 H +ATOM 47 HE2 TYR A 3 12.076 5.868 -1.907 1.00 0.00 H +ATOM 48 HH TYR A 3 13.468 7.375 -0.870 1.00 0.00 H +ATOM 49 N PHE A 4 7.317 7.254 -6.834 1.00 0.00 N +ATOM 50 CA PHE A 4 6.322 6.791 -7.770 1.00 0.00 C +ATOM 51 C PHE A 4 5.420 5.792 -7.081 1.00 0.00 C +ATOM 52 O PHE A 4 5.785 5.268 -6.055 1.00 0.00 O +ATOM 53 CB PHE A 4 7.018 6.186 -8.989 1.00 0.00 C +ATOM 54 CG PHE A 4 7.870 7.197 -9.700 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.291 8.194 -10.463 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.246 7.167 -9.584 1.00 0.00 C +ATOM 57 CE1 PHE A 4 8.065 9.139 -11.095 1.00 0.00 C +ATOM 58 CE2 PHE A 4 10.026 8.107 -10.213 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.437 9.097 -10.970 1.00 0.00 C +ATOM 60 H PHE A 4 8.141 6.727 -6.724 1.00 0.00 H +ATOM 61 HA PHE A 4 5.734 7.640 -8.080 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.667 5.396 -8.639 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.308 5.764 -9.683 1.00 0.00 H +ATOM 64 HD1 PHE A 4 6.217 8.230 -10.559 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.712 6.392 -8.991 1.00 0.00 H +ATOM 66 HE1 PHE A 4 7.599 9.911 -11.687 1.00 0.00 H +ATOM 67 HE2 PHE A 4 11.100 8.067 -10.113 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.048 9.838 -11.463 1.00 0.00 H +ATOM 69 N LEU A 5 4.248 5.559 -7.610 1.00 0.00 N +ATOM 70 CA LEU A 5 3.320 4.625 -6.992 1.00 0.00 C +ATOM 71 C LEU A 5 2.908 3.588 -8.039 1.00 0.00 C +ATOM 72 O LEU A 5 2.584 3.951 -9.181 1.00 0.00 O +ATOM 73 CB LEU A 5 2.082 5.416 -6.462 1.00 0.00 C +ATOM 74 CG LEU A 5 1.157 4.758 -5.384 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.469 3.500 -5.865 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.916 4.480 -4.105 1.00 0.00 C +ATOM 77 H LEU A 5 3.973 6.017 -8.433 1.00 0.00 H +ATOM 78 HA LEU A 5 3.820 4.139 -6.167 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.442 6.348 -6.052 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.470 5.655 -7.318 1.00 0.00 H +ATOM 81 HG LEU A 5 0.375 5.465 -5.147 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.194 3.733 -6.685 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.087 3.071 -5.044 1.00 0.00 H +ATOM 84 HD13 LEU A 5 1.217 2.793 -6.191 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.738 3.811 -4.311 1.00 0.00 H +ATOM 86 HD22 LEU A 5 1.250 4.012 -3.395 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.290 5.403 -3.688 1.00 0.00 H +ATOM 88 N ASP A 6 2.949 2.324 -7.683 1.00 0.00 N +ATOM 89 CA ASP A 6 2.501 1.256 -8.577 1.00 0.00 C +ATOM 90 C ASP A 6 1.784 0.196 -7.757 1.00 0.00 C +ATOM 91 O ASP A 6 2.002 0.099 -6.548 1.00 0.00 O +ATOM 92 CB ASP A 6 3.678 0.641 -9.358 1.00 0.00 C +ATOM 93 CG ASP A 6 3.222 -0.269 -10.491 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.283 0.104 -11.217 1.00 0.00 O +ATOM 95 OD2 ASP A 6 3.842 -1.317 -10.742 1.00 0.00 O +ATOM 96 H ASP A 6 3.282 2.078 -6.788 1.00 0.00 H +ATOM 97 HA ASP A 6 1.793 1.690 -9.268 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.286 1.430 -9.775 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.268 0.054 -8.670 1.00 0.00 H +ATOM 100 N PHE A 7 0.933 -0.572 -8.383 1.00 0.00 N +ATOM 101 CA PHE A 7 0.139 -1.566 -7.677 1.00 0.00 C +ATOM 102 C PHE A 7 0.479 -2.964 -8.144 1.00 0.00 C +ATOM 103 O PHE A 7 0.832 -3.173 -9.305 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.365 -1.342 -7.908 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.928 -0.036 -7.414 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -1.936 1.086 -8.227 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.473 0.060 -6.146 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.475 2.277 -7.785 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -3.010 1.250 -5.696 1.00 0.00 C +ATOM 110 CZ PHE A 7 -3.012 2.359 -6.516 1.00 0.00 C +ATOM 111 H PHE A 7 0.858 -0.501 -9.358 1.00 0.00 H +ATOM 112 HA PHE A 7 0.339 -1.476 -6.621 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.559 -1.393 -8.969 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.906 -2.143 -7.426 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.513 1.020 -9.219 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.473 -0.806 -5.504 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.476 3.144 -8.429 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.431 1.312 -4.702 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.435 3.291 -6.167 1.00 0.00 H +ATOM 120 N ASP A 8 0.385 -3.904 -7.238 1.00 0.00 N +ATOM 121 CA ASP A 8 0.534 -5.319 -7.555 1.00 0.00 C +ATOM 122 C ASP A 8 -0.717 -5.757 -8.296 1.00 0.00 C +ATOM 123 O ASP A 8 -1.781 -5.141 -8.126 1.00 0.00 O +ATOM 124 CB ASP A 8 0.670 -6.141 -6.263 1.00 0.00 C +ATOM 125 CG ASP A 8 1.079 -7.578 -6.503 1.00 0.00 C +ATOM 126 OD1 ASP A 8 0.215 -8.431 -6.819 1.00 0.00 O +ATOM 127 OD2 ASP A 8 2.272 -7.885 -6.355 1.00 0.00 O +ATOM 128 H ASP A 8 0.236 -3.656 -6.300 1.00 0.00 H +ATOM 129 HA ASP A 8 1.406 -5.457 -8.177 1.00 0.00 H +ATOM 130 HB2 ASP A 8 1.409 -5.679 -5.627 1.00 0.00 H +ATOM 131 HB3 ASP A 8 -0.281 -6.137 -5.751 1.00 0.00 H +ATOM 132 N GLU A 9 -0.617 -6.788 -9.101 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.750 -7.259 -9.871 1.00 0.00 C +ATOM 134 C GLU A 9 -2.894 -7.726 -8.939 1.00 0.00 C +ATOM 135 O GLU A 9 -4.075 -7.573 -9.267 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.306 -8.344 -10.878 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.929 -9.684 -10.288 1.00 0.00 C +ATOM 138 CD GLU A 9 -2.031 -10.682 -10.450 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -2.974 -10.688 -9.641 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -2.002 -11.457 -11.399 1.00 0.00 O +ATOM 141 H GLU A 9 0.245 -7.249 -9.168 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.117 -6.403 -10.418 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.116 -8.515 -11.570 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.461 -7.964 -11.431 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -0.031 -10.066 -10.749 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -0.778 -9.547 -9.228 1.00 0.00 H +ATOM 147 N ARG A 10 -2.533 -8.264 -7.770 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.506 -8.657 -6.754 1.00 0.00 C +ATOM 149 C ARG A 10 -4.183 -7.436 -6.207 1.00 0.00 C +ATOM 150 O ARG A 10 -5.415 -7.368 -6.108 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.798 -9.364 -5.619 1.00 0.00 C +ATOM 152 CG ARG A 10 -2.405 -10.787 -5.896 1.00 0.00 C +ATOM 153 CD ARG A 10 -3.519 -11.750 -5.531 1.00 0.00 C +ATOM 154 NE ARG A 10 -4.727 -11.642 -6.356 1.00 0.00 N +ATOM 155 CZ ARG A 10 -5.979 -11.544 -5.866 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -6.189 -11.295 -4.571 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -7.009 -11.693 -6.673 1.00 0.00 N +ATOM 158 H ARG A 10 -1.576 -8.404 -7.581 1.00 0.00 H +ATOM 159 HA ARG A 10 -4.232 -9.327 -7.192 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.904 -8.811 -5.376 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.453 -9.355 -4.761 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -2.168 -10.897 -6.944 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -1.537 -11.024 -5.299 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -3.133 -12.752 -5.615 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -3.775 -11.544 -4.503 1.00 0.00 H +ATOM 166 HE ARG A 10 -4.559 -11.755 -7.321 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -5.445 -11.171 -3.907 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -7.107 -11.234 -4.174 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -6.889 -11.889 -7.652 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -7.961 -11.635 -6.361 1.00 0.00 H +ATOM 171 N ALA A 11 -3.360 -6.456 -5.899 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.803 -5.199 -5.343 1.00 0.00 C +ATOM 173 C ALA A 11 -4.773 -4.497 -6.276 1.00 0.00 C +ATOM 174 O ALA A 11 -5.723 -3.916 -5.820 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.617 -4.302 -5.018 1.00 0.00 C +ATOM 176 H ALA A 11 -2.407 -6.614 -6.057 1.00 0.00 H +ATOM 177 HA ALA A 11 -4.319 -5.422 -4.422 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.946 -4.821 -4.348 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -2.966 -3.395 -4.550 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -2.093 -4.057 -5.930 1.00 0.00 H +ATOM 181 N LEU A 12 -4.550 -4.611 -7.585 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.423 -3.995 -8.576 1.00 0.00 C +ATOM 183 C LEU A 12 -6.811 -4.596 -8.536 1.00 0.00 C +ATOM 184 O LEU A 12 -7.809 -3.887 -8.607 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.839 -4.130 -9.977 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.650 -3.230 -10.310 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.103 -3.576 -11.685 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.080 -1.767 -10.270 1.00 0.00 C +ATOM 189 H LEU A 12 -3.775 -5.126 -7.900 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.502 -2.947 -8.333 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.528 -5.157 -10.105 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.628 -3.929 -10.682 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.868 -3.375 -9.580 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -3.876 -3.428 -12.425 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.784 -4.607 -11.698 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -2.263 -2.935 -11.912 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -3.242 -1.139 -10.536 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -4.419 -1.505 -9.279 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.885 -1.604 -10.972 1.00 0.00 H +ATOM 200 N LYS A 13 -6.862 -5.889 -8.379 1.00 0.00 N +ATOM 201 CA LYS A 13 -8.111 -6.616 -8.331 1.00 0.00 C +ATOM 202 C LYS A 13 -8.893 -6.233 -7.085 1.00 0.00 C +ATOM 203 O LYS A 13 -10.103 -6.008 -7.137 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.815 -8.105 -8.360 1.00 0.00 C +ATOM 205 CG LYS A 13 -7.134 -8.536 -9.644 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.573 -9.926 -9.535 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.954 -10.381 -10.851 1.00 0.00 C +ATOM 208 NZ LYS A 13 -4.844 -9.519 -11.264 1.00 0.00 N +ATOM 209 H LYS A 13 -6.020 -6.381 -8.281 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.686 -6.356 -9.207 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -7.170 -8.350 -7.528 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.739 -8.653 -8.265 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.854 -8.516 -10.450 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -6.332 -7.845 -9.859 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.799 -9.885 -8.782 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -7.351 -10.608 -9.232 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -5.537 -11.365 -10.698 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -6.704 -10.405 -11.626 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -5.114 -8.517 -11.326 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -4.474 -9.815 -12.191 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -4.079 -9.629 -10.564 1.00 0.00 H +ATOM 222 N GLU A 14 -8.200 -6.146 -5.974 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.804 -5.739 -4.723 1.00 0.00 C +ATOM 224 C GLU A 14 -9.194 -4.245 -4.749 1.00 0.00 C +ATOM 225 O GLU A 14 -10.226 -3.860 -4.233 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.870 -6.071 -3.572 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.618 -7.571 -3.432 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.848 -8.337 -2.973 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -9.719 -8.657 -3.799 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -8.982 -8.605 -1.759 1.00 0.00 O +ATOM 231 H GLU A 14 -7.246 -6.386 -5.980 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.711 -6.315 -4.615 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.925 -5.576 -3.739 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.302 -5.714 -2.650 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -7.332 -7.947 -4.403 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.806 -7.734 -2.741 1.00 0.00 H +ATOM 237 N TRP A 15 -8.367 -3.438 -5.381 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.592 -1.990 -5.570 1.00 0.00 C +ATOM 239 C TRP A 15 -9.870 -1.738 -6.378 1.00 0.00 C +ATOM 240 O TRP A 15 -10.673 -0.842 -6.069 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.362 -1.422 -6.309 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.436 0.001 -6.749 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.820 0.456 -7.977 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -7.070 1.147 -5.989 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.743 1.820 -8.019 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.276 2.273 -6.810 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.593 1.333 -4.690 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -7.020 3.565 -6.370 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.337 2.612 -4.258 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.548 3.709 -5.092 1.00 0.00 C +ATOM 251 H TRP A 15 -7.527 -3.816 -5.728 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.674 -1.514 -4.603 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.502 -1.507 -5.663 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.188 -2.034 -7.182 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -8.146 -0.184 -8.784 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.981 2.366 -8.802 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.424 0.493 -4.032 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -7.179 4.428 -7.000 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.963 2.777 -3.258 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.323 4.687 -4.699 1.00 0.00 H +ATOM 261 N ARG A 16 -10.051 -2.525 -7.408 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.220 -2.428 -8.257 1.00 0.00 C +ATOM 263 C ARG A 16 -12.449 -3.009 -7.561 1.00 0.00 C +ATOM 264 O ARG A 16 -13.597 -2.649 -7.876 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.948 -3.090 -9.598 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.889 -2.357 -10.403 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.540 -3.081 -11.681 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.499 -2.364 -12.435 1.00 0.00 N +ATOM 269 CZ ARG A 16 -7.651 -2.927 -13.304 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -7.719 -4.232 -13.551 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -6.731 -2.178 -13.918 1.00 0.00 N +ATOM 272 H ARG A 16 -9.354 -3.189 -7.616 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.402 -1.376 -8.418 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.604 -4.098 -9.418 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.860 -3.123 -10.174 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.252 -1.371 -10.652 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.999 -2.265 -9.798 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.179 -4.068 -11.433 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -10.427 -3.162 -12.293 1.00 0.00 H +ATOM 280 HE ARG A 16 -8.454 -1.394 -12.250 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.388 -4.830 -13.103 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -7.110 -4.694 -14.201 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -6.668 -1.192 -13.740 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -6.055 -2.554 -14.560 1.00 0.00 H +ATOM 285 N LYS A 17 -12.201 -3.879 -6.610 1.00 0.00 N +ATOM 286 CA LYS A 17 -13.236 -4.461 -5.779 1.00 0.00 C +ATOM 287 C LYS A 17 -13.709 -3.416 -4.759 1.00 0.00 C +ATOM 288 O LYS A 17 -14.909 -3.296 -4.478 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.671 -5.670 -5.031 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.674 -6.401 -4.163 1.00 0.00 C +ATOM 291 CD LYS A 17 -13.003 -7.445 -3.281 1.00 0.00 C +ATOM 292 CE LYS A 17 -12.116 -6.812 -2.214 1.00 0.00 C +ATOM 293 NZ LYS A 17 -11.537 -7.823 -1.305 1.00 0.00 N +ATOM 294 H LYS A 17 -11.272 -4.164 -6.473 1.00 0.00 H +ATOM 295 HA LYS A 17 -14.060 -4.776 -6.402 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -12.270 -6.372 -5.749 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.864 -5.321 -4.403 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -14.179 -5.684 -3.533 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -14.395 -6.888 -4.801 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -13.770 -8.024 -2.786 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -12.401 -8.094 -3.900 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -11.307 -6.285 -2.696 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -12.704 -6.113 -1.639 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -10.784 -8.373 -1.779 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -12.282 -8.481 -0.998 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -11.136 -7.360 -0.464 1.00 0.00 H +ATOM 307 N LEU A 18 -12.746 -2.672 -4.228 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.961 -1.630 -3.228 1.00 0.00 C +ATOM 309 C LEU A 18 -13.891 -0.549 -3.706 1.00 0.00 C +ATOM 310 O LEU A 18 -13.923 -0.213 -4.899 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.637 -0.992 -2.821 1.00 0.00 C +ATOM 312 CG LEU A 18 -11.116 -1.328 -1.431 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.902 -2.818 -1.251 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.846 -0.563 -1.160 1.00 0.00 C +ATOM 315 H LEU A 18 -11.822 -2.839 -4.520 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.386 -2.092 -2.350 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.888 -1.286 -3.540 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.760 0.080 -2.881 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.850 -1.006 -0.709 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -11.838 -3.331 -1.413 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -10.559 -3.009 -0.245 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.168 -3.169 -1.962 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.483 -0.802 -0.172 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -10.065 0.494 -1.216 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.100 -0.818 -1.897 1.00 0.00 H +ATOM 326 N GLY A 19 -14.636 -0.009 -2.777 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.556 1.048 -3.066 1.00 0.00 C +ATOM 328 C GLY A 19 -14.826 2.310 -3.380 1.00 0.00 C +ATOM 329 O GLY A 19 -13.751 2.560 -2.812 1.00 0.00 O +ATOM 330 H GLY A 19 -14.540 -0.319 -1.851 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.162 0.769 -3.914 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.190 1.212 -2.208 1.00 0.00 H +ATOM 333 N SER A 20 -15.392 3.093 -4.264 1.00 0.00 N +ATOM 334 CA SER A 20 -14.802 4.312 -4.758 1.00 0.00 C +ATOM 335 C SER A 20 -14.377 5.254 -3.621 1.00 0.00 C +ATOM 336 O SER A 20 -13.254 5.729 -3.607 1.00 0.00 O +ATOM 337 CB SER A 20 -15.802 4.978 -5.682 1.00 0.00 C +ATOM 338 OG SER A 20 -16.324 4.014 -6.595 1.00 0.00 O +ATOM 339 H SER A 20 -16.269 2.857 -4.638 1.00 0.00 H +ATOM 340 HA SER A 20 -13.931 4.049 -5.338 1.00 0.00 H +ATOM 341 HB2 SER A 20 -16.609 5.400 -5.103 1.00 0.00 H +ATOM 342 HB3 SER A 20 -15.312 5.758 -6.245 1.00 0.00 H +ATOM 343 HG SER A 20 -16.483 4.467 -7.430 1.00 0.00 H +ATOM 344 N THR A 21 -15.239 5.443 -2.643 1.00 0.00 N +ATOM 345 CA THR A 21 -14.957 6.344 -1.537 1.00 0.00 C +ATOM 346 C THR A 21 -13.820 5.785 -0.645 1.00 0.00 C +ATOM 347 O THR A 21 -12.967 6.541 -0.147 1.00 0.00 O +ATOM 348 CB THR A 21 -16.225 6.585 -0.692 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.320 6.928 -1.560 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.009 7.721 0.294 1.00 0.00 C +ATOM 351 H THR A 21 -16.087 4.951 -2.662 1.00 0.00 H +ATOM 352 HA THR A 21 -14.632 7.285 -1.956 1.00 0.00 H +ATOM 353 HB THR A 21 -16.458 5.683 -0.149 1.00 0.00 H +ATOM 354 HG1 THR A 21 -16.947 7.449 -2.282 1.00 0.00 H +ATOM 355 HG21 THR A 21 -15.755 8.621 -0.246 1.00 0.00 H +ATOM 356 HG22 THR A 21 -15.204 7.466 0.968 1.00 0.00 H +ATOM 357 HG23 THR A 21 -16.915 7.885 0.857 1.00 0.00 H +ATOM 358 N VAL A 22 -13.794 4.468 -0.470 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.766 3.822 0.328 1.00 0.00 C +ATOM 360 C VAL A 22 -11.417 3.911 -0.376 1.00 0.00 C +ATOM 361 O VAL A 22 -10.414 4.315 0.220 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.135 2.340 0.639 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -11.949 1.578 1.212 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.296 2.289 1.623 1.00 0.00 C +ATOM 365 H VAL A 22 -14.477 3.905 -0.900 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.697 4.367 1.259 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.448 1.860 -0.276 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -12.252 0.573 1.466 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -11.582 2.084 2.090 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -11.164 1.535 0.471 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.010 2.780 2.541 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -14.543 1.261 1.841 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -15.156 2.788 1.204 1.00 0.00 H +ATOM 374 N ARG A 23 -11.410 3.592 -1.650 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.197 3.662 -2.423 1.00 0.00 C +ATOM 376 C ARG A 23 -9.713 5.091 -2.603 1.00 0.00 C +ATOM 377 O ARG A 23 -8.522 5.313 -2.678 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.253 2.908 -3.736 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.360 3.315 -4.655 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.128 2.723 -6.014 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.200 3.035 -6.951 1.00 0.00 N +ATOM 382 CZ ARG A 23 -12.812 2.150 -7.741 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.528 0.840 -7.655 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.730 2.569 -8.602 1.00 0.00 N +ATOM 385 H ARG A 23 -12.251 3.300 -2.069 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.457 3.190 -1.792 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.320 3.060 -4.259 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.360 1.853 -3.525 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.268 2.895 -4.245 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.463 4.391 -4.691 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.200 3.143 -6.375 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -11.025 1.652 -5.918 1.00 0.00 H +ATOM 393 HE ARG A 23 -12.448 3.989 -7.007 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -11.856 0.464 -7.008 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -12.998 0.186 -8.253 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -13.968 3.541 -8.669 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -14.218 1.946 -9.217 1.00 0.00 H +ATOM 398 N GLU A 24 -10.641 6.053 -2.707 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.266 7.467 -2.785 1.00 0.00 C +ATOM 400 C GLU A 24 -9.426 7.857 -1.610 1.00 0.00 C +ATOM 401 O GLU A 24 -8.378 8.454 -1.780 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.461 8.384 -2.768 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.157 8.601 -4.071 1.00 0.00 C +ATOM 404 CD GLU A 24 -13.120 9.732 -3.932 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -14.227 9.526 -3.401 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -12.762 10.878 -4.271 1.00 0.00 O +ATOM 407 H GLU A 24 -11.593 5.809 -2.759 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.714 7.632 -3.697 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.184 7.937 -2.101 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.181 9.337 -2.344 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -11.428 8.840 -4.832 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.704 7.710 -4.345 1.00 0.00 H +ATOM 413 N GLN A 25 -9.886 7.496 -0.428 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.179 7.815 0.807 1.00 0.00 C +ATOM 415 C GLN A 25 -7.775 7.244 0.779 1.00 0.00 C +ATOM 416 O GLN A 25 -6.812 7.916 1.140 1.00 0.00 O +ATOM 417 CB GLN A 25 -9.949 7.285 1.996 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.158 8.105 2.390 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.087 7.345 3.309 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -11.938 7.350 4.545 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.057 6.698 2.721 1.00 0.00 N +ATOM 422 H GLN A 25 -10.722 6.977 -0.402 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.117 8.891 0.880 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.307 6.303 1.728 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.288 7.210 2.846 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -10.827 8.999 2.899 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -11.700 8.379 1.497 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.092 6.758 1.737 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -13.708 6.224 3.276 1.00 0.00 H +ATOM 430 N LEU A 26 -7.667 6.030 0.292 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.390 5.367 0.157 1.00 0.00 C +ATOM 432 C LEU A 26 -5.517 6.060 -0.881 1.00 0.00 C +ATOM 433 O LEU A 26 -4.349 6.305 -0.633 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.589 3.905 -0.198 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.301 3.057 0.865 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.518 1.657 0.362 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.501 3.029 2.167 1.00 0.00 C +ATOM 438 H LEU A 26 -8.484 5.560 0.022 1.00 0.00 H +ATOM 439 HA LEU A 26 -5.888 5.425 1.112 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.166 3.889 -1.112 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.622 3.469 -0.399 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.271 3.484 1.074 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.026 1.074 1.116 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -6.564 1.203 0.140 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.118 1.684 -0.536 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -7.003 2.394 2.881 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -6.429 4.028 2.572 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -5.509 2.646 1.975 1.00 0.00 H +ATOM 449 N LYS A 27 -6.101 6.398 -2.029 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.381 7.089 -3.102 1.00 0.00 C +ATOM 451 C LYS A 27 -4.843 8.431 -2.608 1.00 0.00 C +ATOM 452 O LYS A 27 -3.690 8.791 -2.864 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.313 7.368 -4.274 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.594 7.981 -5.463 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.545 8.440 -6.552 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.384 9.623 -6.095 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.238 10.140 -7.171 1.00 0.00 N +ATOM 458 H LYS A 27 -7.042 6.146 -2.172 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.566 6.467 -3.441 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.825 6.469 -4.578 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.055 8.068 -3.925 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.051 8.838 -5.093 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -4.900 7.257 -5.861 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -5.966 8.736 -7.415 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.198 7.624 -6.818 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -8.005 9.332 -5.261 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.701 10.399 -5.786 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -7.649 10.494 -7.952 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -8.856 10.905 -6.836 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -8.844 9.389 -7.554 1.00 0.00 H +ATOM 471 N LYS A 28 -5.685 9.147 -1.890 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.339 10.437 -1.323 1.00 0.00 C +ATOM 473 C LYS A 28 -4.211 10.283 -0.321 1.00 0.00 C +ATOM 474 O LYS A 28 -3.332 11.137 -0.222 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.577 11.103 -0.705 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.641 11.415 -1.746 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.950 11.868 -1.129 1.00 0.00 C +ATOM 478 CE LYS A 28 -10.010 12.024 -2.210 1.00 0.00 C +ATOM 479 NZ LYS A 28 -11.335 12.373 -1.665 1.00 0.00 N +ATOM 480 H LYS A 28 -6.591 8.784 -1.765 1.00 0.00 H +ATOM 481 HA LYS A 28 -4.987 11.046 -2.142 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -7.004 10.441 0.032 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.289 12.030 -0.231 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.277 12.199 -2.392 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -7.817 10.524 -2.331 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.275 11.131 -0.410 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.804 12.817 -0.636 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -9.696 12.809 -2.879 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.079 11.096 -2.756 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -12.039 12.424 -2.428 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -11.319 13.294 -1.185 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -11.665 11.662 -0.979 1.00 0.00 H +ATOM 493 N LYS A 29 -4.217 9.176 0.390 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.152 8.856 1.308 1.00 0.00 C +ATOM 495 C LYS A 29 -1.877 8.500 0.585 1.00 0.00 C +ATOM 496 O LYS A 29 -0.785 8.819 1.049 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.548 7.753 2.270 1.00 0.00 C +ATOM 498 CG LYS A 29 -3.920 8.265 3.640 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.114 9.185 3.610 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.292 9.841 4.947 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.156 10.738 5.260 1.00 0.00 N +ATOM 502 H LYS A 29 -4.972 8.555 0.296 1.00 0.00 H +ATOM 503 HA LYS A 29 -2.957 9.747 1.883 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.395 7.224 1.859 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.718 7.070 2.370 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.147 7.430 4.284 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.075 8.805 4.040 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -4.957 9.947 2.860 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.000 8.615 3.374 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.220 10.391 4.971 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.307 9.040 5.672 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -3.964 11.415 4.488 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -3.282 10.209 5.443 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.373 11.295 6.110 1.00 0.00 H +ATOM 515 N LEU A 30 -2.013 7.857 -0.542 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.880 7.481 -1.348 1.00 0.00 C +ATOM 517 C LEU A 30 -0.216 8.704 -1.950 1.00 0.00 C +ATOM 518 O LEU A 30 0.995 8.850 -1.876 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.283 6.501 -2.453 1.00 0.00 C +ATOM 520 CG LEU A 30 -1.874 5.169 -1.989 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.241 4.305 -3.176 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -0.912 4.439 -1.061 1.00 0.00 C +ATOM 523 H LEU A 30 -2.918 7.605 -0.832 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.176 6.989 -0.695 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.011 6.990 -3.083 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.407 6.289 -3.048 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.785 5.368 -1.443 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -1.357 4.115 -3.766 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -2.976 4.818 -3.779 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -2.652 3.369 -2.828 1.00 0.00 H +ATOM 531 HD21 LEU A 30 0.030 4.280 -1.562 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -1.338 3.484 -0.791 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.756 5.029 -0.169 1.00 0.00 H +ATOM 534 N VAL A 31 -1.013 9.605 -2.503 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.470 10.790 -3.144 1.00 0.00 C +ATOM 536 C VAL A 31 0.263 11.693 -2.124 1.00 0.00 C +ATOM 537 O VAL A 31 1.337 12.228 -2.421 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.550 11.576 -3.968 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -2.600 12.231 -3.095 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -0.915 12.586 -4.902 1.00 0.00 C +ATOM 541 H VAL A 31 -1.986 9.452 -2.490 1.00 0.00 H +ATOM 542 HA VAL A 31 0.285 10.424 -3.826 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.066 10.847 -4.576 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -3.340 12.721 -3.709 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -2.122 12.965 -2.462 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -3.070 11.478 -2.481 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -1.700 13.095 -5.442 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -0.266 12.075 -5.598 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -0.346 13.303 -4.329 1.00 0.00 H +ATOM 550 N GLU A 32 -0.297 11.832 -0.915 1.00 0.00 N +ATOM 551 CA GLU A 32 0.352 12.614 0.130 1.00 0.00 C +ATOM 552 C GLU A 32 1.631 11.912 0.635 1.00 0.00 C +ATOM 553 O GLU A 32 2.688 12.546 0.788 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.611 12.937 1.309 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.188 11.714 1.991 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.001 11.997 3.234 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -3.196 12.338 3.130 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -1.482 11.805 4.346 1.00 0.00 O +ATOM 559 H GLU A 32 -1.165 11.408 -0.737 1.00 0.00 H +ATOM 560 HA GLU A 32 0.658 13.542 -0.333 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.084 13.514 2.052 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.431 13.527 0.925 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -1.826 11.221 1.273 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.370 11.056 2.243 1.00 0.00 H +ATOM 565 N VAL A 33 1.543 10.596 0.827 1.00 0.00 N +ATOM 566 CA VAL A 33 2.624 9.815 1.407 1.00 0.00 C +ATOM 567 C VAL A 33 3.875 9.820 0.530 1.00 0.00 C +ATOM 568 O VAL A 33 4.956 9.743 1.026 1.00 0.00 O +ATOM 569 CB VAL A 33 2.210 8.369 1.823 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.223 7.380 0.663 1.00 0.00 C +ATOM 571 CG2 VAL A 33 3.052 7.887 2.988 1.00 0.00 C +ATOM 572 H VAL A 33 0.721 10.124 0.569 1.00 0.00 H +ATOM 573 HA VAL A 33 2.896 10.357 2.302 1.00 0.00 H +ATOM 574 HB VAL A 33 1.187 8.430 2.162 1.00 0.00 H +ATOM 575 HG11 VAL A 33 3.232 7.281 0.288 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.593 7.760 -0.127 1.00 0.00 H +ATOM 577 HG13 VAL A 33 1.860 6.419 0.993 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.786 6.869 3.236 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.876 8.523 3.844 1.00 0.00 H +ATOM 580 HG23 VAL A 33 4.092 7.937 2.710 1.00 0.00 H +ATOM 581 N LEU A 34 3.692 9.942 -0.775 1.00 0.00 N +ATOM 582 CA LEU A 34 4.789 9.926 -1.752 1.00 0.00 C +ATOM 583 C LEU A 34 5.900 10.949 -1.454 1.00 0.00 C +ATOM 584 O LEU A 34 7.033 10.752 -1.887 1.00 0.00 O +ATOM 585 CB LEU A 34 4.260 10.146 -3.175 1.00 0.00 C +ATOM 586 CG LEU A 34 3.361 9.050 -3.747 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.852 9.446 -5.120 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.103 7.724 -3.817 1.00 0.00 C +ATOM 589 H LEU A 34 2.774 10.012 -1.103 1.00 0.00 H +ATOM 590 HA LEU A 34 5.235 8.944 -1.717 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.697 11.067 -3.178 1.00 0.00 H +ATOM 592 HB3 LEU A 34 5.109 10.267 -3.833 1.00 0.00 H +ATOM 593 HG LEU A 34 2.506 8.925 -3.099 1.00 0.00 H +ATOM 594 HD11 LEU A 34 3.694 9.602 -5.777 1.00 0.00 H +ATOM 595 HD12 LEU A 34 2.281 10.359 -5.046 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.227 8.660 -5.518 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.996 7.844 -4.414 1.00 0.00 H +ATOM 598 HD22 LEU A 34 3.467 6.986 -4.280 1.00 0.00 H +ATOM 599 HD23 LEU A 34 4.370 7.396 -2.824 1.00 0.00 H +ATOM 600 N GLU A 35 5.589 12.039 -0.738 1.00 0.00 N +ATOM 601 CA GLU A 35 6.640 13.021 -0.427 1.00 0.00 C +ATOM 602 C GLU A 35 7.498 12.556 0.770 1.00 0.00 C +ATOM 603 O GLU A 35 8.623 13.019 0.968 1.00 0.00 O +ATOM 604 CB GLU A 35 6.068 14.417 -0.151 1.00 0.00 C +ATOM 605 CG GLU A 35 5.201 14.502 1.088 1.00 0.00 C +ATOM 606 CD GLU A 35 4.761 15.904 1.392 1.00 0.00 C +ATOM 607 OE1 GLU A 35 5.493 16.624 2.103 1.00 0.00 O +ATOM 608 OE2 GLU A 35 3.660 16.302 0.953 1.00 0.00 O +ATOM 609 H GLU A 35 4.674 12.162 -0.398 1.00 0.00 H +ATOM 610 HA GLU A 35 7.286 13.068 -1.292 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.889 15.109 -0.033 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.477 14.724 -1.001 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.323 13.891 0.940 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.761 14.123 1.929 1.00 0.00 H +ATOM 615 N SER A 36 6.960 11.646 1.547 1.00 0.00 N +ATOM 616 CA SER A 36 7.620 11.125 2.716 1.00 0.00 C +ATOM 617 C SER A 36 7.084 9.733 3.036 1.00 0.00 C +ATOM 618 O SER A 36 6.321 9.564 3.971 1.00 0.00 O +ATOM 619 CB SER A 36 7.434 12.084 3.920 1.00 0.00 C +ATOM 620 OG SER A 36 7.959 11.534 5.124 1.00 0.00 O +ATOM 621 H SER A 36 6.084 11.260 1.324 1.00 0.00 H +ATOM 622 HA SER A 36 8.674 11.021 2.513 1.00 0.00 H +ATOM 623 HB2 SER A 36 7.944 13.015 3.715 1.00 0.00 H +ATOM 624 HB3 SER A 36 6.381 12.280 4.054 1.00 0.00 H +ATOM 625 HG SER A 36 7.383 10.784 5.318 1.00 0.00 H +ATOM 626 N PRO A 37 7.413 8.715 2.218 1.00 0.00 N +ATOM 627 CA PRO A 37 6.947 7.355 2.467 1.00 0.00 C +ATOM 628 C PRO A 37 7.746 6.682 3.580 1.00 0.00 C +ATOM 629 O PRO A 37 7.334 5.677 4.142 1.00 0.00 O +ATOM 630 CB PRO A 37 7.154 6.668 1.121 1.00 0.00 C +ATOM 631 CG PRO A 37 8.312 7.378 0.522 1.00 0.00 C +ATOM 632 CD PRO A 37 8.176 8.811 0.949 1.00 0.00 C +ATOM 633 HA PRO A 37 5.904 7.336 2.739 1.00 0.00 H +ATOM 634 HB2 PRO A 37 7.356 5.619 1.270 1.00 0.00 H +ATOM 635 HB3 PRO A 37 6.266 6.793 0.518 1.00 0.00 H +ATOM 636 HG2 PRO A 37 9.233 6.960 0.899 1.00 0.00 H +ATOM 637 HG3 PRO A 37 8.278 7.304 -0.555 1.00 0.00 H +ATOM 638 HD2 PRO A 37 9.142 9.269 1.103 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.600 9.360 0.215 1.00 0.00 H +ATOM 640 N ARG A 38 8.872 7.280 3.922 1.00 0.00 N +ATOM 641 CA ARG A 38 9.732 6.779 4.974 1.00 0.00 C +ATOM 642 C ARG A 38 9.281 7.220 6.372 1.00 0.00 C +ATOM 643 O ARG A 38 9.973 7.939 7.071 1.00 0.00 O +ATOM 644 CB ARG A 38 11.236 7.060 4.681 1.00 0.00 C +ATOM 645 CG ARG A 38 11.554 8.395 3.961 1.00 0.00 C +ATOM 646 CD ARG A 38 11.249 9.651 4.776 1.00 0.00 C +ATOM 647 NE ARG A 38 11.471 10.876 3.981 1.00 0.00 N +ATOM 648 CZ ARG A 38 11.219 12.140 4.394 1.00 0.00 C +ATOM 649 NH1 ARG A 38 10.827 12.380 5.646 1.00 0.00 N +ATOM 650 NH2 ARG A 38 11.374 13.151 3.553 1.00 0.00 N +ATOM 651 H ARG A 38 9.105 8.099 3.438 1.00 0.00 H +ATOM 652 HA ARG A 38 9.584 5.709 4.954 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.768 7.066 5.620 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.623 6.253 4.076 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.602 8.411 3.704 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.980 8.424 3.046 1.00 0.00 H +ATOM 657 HD2 ARG A 38 10.217 9.619 5.092 1.00 0.00 H +ATOM 658 HD3 ARG A 38 11.895 9.673 5.642 1.00 0.00 H +ATOM 659 HE ARG A 38 11.809 10.710 3.069 1.00 0.00 H +ATOM 660 HH11 ARG A 38 10.702 11.641 6.311 1.00 0.00 H +ATOM 661 HH12 ARG A 38 10.635 13.303 5.993 1.00 0.00 H +ATOM 662 HH21 ARG A 38 11.683 13.024 2.605 1.00 0.00 H +ATOM 663 HH22 ARG A 38 11.169 14.098 3.813 1.00 0.00 H +ATOM 664 N ILE A 39 8.087 6.817 6.730 1.00 0.00 N +ATOM 665 CA ILE A 39 7.494 7.128 8.021 1.00 0.00 C +ATOM 666 C ILE A 39 7.605 5.905 8.927 1.00 0.00 C +ATOM 667 O ILE A 39 6.927 4.895 8.703 1.00 0.00 O +ATOM 668 CB ILE A 39 6.000 7.538 7.843 1.00 0.00 C +ATOM 669 CG1 ILE A 39 5.918 8.779 6.951 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.329 7.806 9.191 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.513 9.207 6.592 1.00 0.00 C +ATOM 672 H ILE A 39 7.583 6.280 6.078 1.00 0.00 H +ATOM 673 HA ILE A 39 8.040 7.949 8.458 1.00 0.00 H +ATOM 674 HB ILE A 39 5.478 6.729 7.355 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.390 9.607 7.458 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.453 8.582 6.032 1.00 0.00 H +ATOM 677 HG21 ILE A 39 4.288 8.047 9.029 1.00 0.00 H +ATOM 678 HG22 ILE A 39 5.816 8.641 9.670 1.00 0.00 H +ATOM 679 HG23 ILE A 39 5.408 6.929 9.817 1.00 0.00 H +ATOM 680 HD11 ILE A 39 4.569 10.077 5.954 1.00 0.00 H +ATOM 681 HD12 ILE A 39 3.968 9.443 7.491 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.018 8.406 6.062 1.00 0.00 H +ATOM 683 N GLU A 40 8.442 5.995 9.953 1.00 0.00 N +ATOM 684 CA GLU A 40 8.730 4.848 10.830 1.00 0.00 C +ATOM 685 C GLU A 40 7.498 4.377 11.616 1.00 0.00 C +ATOM 686 O GLU A 40 7.447 3.236 12.074 1.00 0.00 O +ATOM 687 CB GLU A 40 9.891 5.138 11.793 1.00 0.00 C +ATOM 688 CG GLU A 40 9.607 6.220 12.816 1.00 0.00 C +ATOM 689 CD GLU A 40 10.740 6.424 13.773 1.00 0.00 C +ATOM 690 OE1 GLU A 40 10.900 5.621 14.719 1.00 0.00 O +ATOM 691 OE2 GLU A 40 11.487 7.404 13.617 1.00 0.00 O +ATOM 692 H GLU A 40 8.874 6.861 10.128 1.00 0.00 H +ATOM 693 HA GLU A 40 9.025 4.039 10.179 1.00 0.00 H +ATOM 694 HB2 GLU A 40 10.128 4.230 12.328 1.00 0.00 H +ATOM 695 HB3 GLU A 40 10.753 5.435 11.214 1.00 0.00 H +ATOM 696 HG2 GLU A 40 9.439 7.150 12.296 1.00 0.00 H +ATOM 697 HG3 GLU A 40 8.720 5.955 13.372 1.00 0.00 H +ATOM 698 N ALA A 41 6.525 5.251 11.779 1.00 0.00 N +ATOM 699 CA ALA A 41 5.295 4.918 12.491 1.00 0.00 C +ATOM 700 C ALA A 41 4.399 4.009 11.663 1.00 0.00 C +ATOM 701 O ALA A 41 3.522 3.330 12.197 1.00 0.00 O +ATOM 702 CB ALA A 41 4.541 6.178 12.865 1.00 0.00 C +ATOM 703 H ALA A 41 6.655 6.167 11.448 1.00 0.00 H +ATOM 704 HA ALA A 41 5.565 4.403 13.401 1.00 0.00 H +ATOM 705 HB1 ALA A 41 4.239 6.697 11.967 1.00 0.00 H +ATOM 706 HB2 ALA A 41 5.183 6.816 13.453 1.00 0.00 H +ATOM 707 HB3 ALA A 41 3.664 5.915 13.438 1.00 0.00 H +ATOM 708 N ASN A 42 4.616 3.987 10.369 1.00 0.00 N +ATOM 709 CA ASN A 42 3.785 3.176 9.490 1.00 0.00 C +ATOM 710 C ASN A 42 4.541 1.963 8.996 1.00 0.00 C +ATOM 711 O ASN A 42 3.961 1.085 8.355 1.00 0.00 O +ATOM 712 CB ASN A 42 3.257 3.997 8.289 1.00 0.00 C +ATOM 713 CG ASN A 42 2.297 5.117 8.682 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.592 5.035 9.684 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.256 6.169 7.894 1.00 0.00 N +ATOM 716 H ASN A 42 5.354 4.511 9.989 1.00 0.00 H +ATOM 717 HA ASN A 42 2.940 2.836 10.070 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.095 4.443 7.776 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.744 3.330 7.611 1.00 0.00 H +ATOM 720 HD21 ASN A 42 2.833 6.192 7.102 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.626 6.885 8.130 1.00 0.00 H +ATOM 722 N LYS A 43 5.833 1.922 9.299 1.00 0.00 N +ATOM 723 CA LYS A 43 6.713 0.883 8.867 1.00 0.00 C +ATOM 724 C LYS A 43 6.391 -0.414 9.590 1.00 0.00 C +ATOM 725 O LYS A 43 6.217 -0.426 10.811 1.00 0.00 O +ATOM 726 CB LYS A 43 8.136 1.288 9.212 1.00 0.00 C +ATOM 727 CG LYS A 43 9.169 0.746 8.270 1.00 0.00 C +ATOM 728 CD LYS A 43 10.588 1.029 8.765 1.00 0.00 C +ATOM 729 CE LYS A 43 11.645 0.620 7.738 1.00 0.00 C +ATOM 730 NZ LYS A 43 11.722 1.560 6.595 1.00 0.00 N +ATOM 731 H LYS A 43 6.255 2.616 9.839 1.00 0.00 H +ATOM 732 HA LYS A 43 6.643 0.758 7.798 1.00 0.00 H +ATOM 733 HB2 LYS A 43 8.201 2.364 9.213 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.348 0.911 10.200 1.00 0.00 H +ATOM 735 HG2 LYS A 43 9.000 -0.313 8.156 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.989 1.265 7.341 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.689 2.087 8.959 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.751 0.478 9.679 1.00 0.00 H +ATOM 739 HE2 LYS A 43 12.610 0.586 8.220 1.00 0.00 H +ATOM 740 HE3 LYS A 43 11.399 -0.364 7.364 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 12.183 2.450 6.869 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 10.790 1.849 6.233 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.255 1.176 5.782 1.00 0.00 H +ATOM 744 N LEU A 44 6.319 -1.474 8.845 1.00 0.00 N +ATOM 745 CA LEU A 44 6.087 -2.783 9.393 1.00 0.00 C +ATOM 746 C LEU A 44 7.413 -3.368 9.822 1.00 0.00 C +ATOM 747 O LEU A 44 8.335 -3.505 9.003 1.00 0.00 O +ATOM 748 CB LEU A 44 5.423 -3.701 8.370 1.00 0.00 C +ATOM 749 CG LEU A 44 4.052 -3.277 7.849 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.530 -4.304 6.880 1.00 0.00 C +ATOM 751 CD2 LEU A 44 3.068 -3.095 8.983 1.00 0.00 C +ATOM 752 H LEU A 44 6.445 -1.366 7.876 1.00 0.00 H +ATOM 753 HA LEU A 44 5.443 -2.678 10.253 1.00 0.00 H +ATOM 754 HB2 LEU A 44 6.084 -3.769 7.520 1.00 0.00 H +ATOM 755 HB3 LEU A 44 5.329 -4.682 8.809 1.00 0.00 H +ATOM 756 HG LEU A 44 4.147 -2.337 7.325 1.00 0.00 H +ATOM 757 HD11 LEU A 44 2.550 -4.000 6.542 1.00 0.00 H +ATOM 758 HD12 LEU A 44 3.461 -5.258 7.382 1.00 0.00 H +ATOM 759 HD13 LEU A 44 4.198 -4.382 6.035 1.00 0.00 H +ATOM 760 HD21 LEU A 44 3.409 -2.316 9.647 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.967 -4.025 9.524 1.00 0.00 H +ATOM 762 HD23 LEU A 44 2.115 -2.818 8.556 1.00 0.00 H +ATOM 763 N ARG A 45 7.508 -3.697 11.077 1.00 0.00 N +ATOM 764 CA ARG A 45 8.730 -4.192 11.670 1.00 0.00 C +ATOM 765 C ARG A 45 9.142 -5.538 11.055 1.00 0.00 C +ATOM 766 O ARG A 45 8.355 -6.487 11.030 1.00 0.00 O +ATOM 767 CB ARG A 45 8.547 -4.323 13.192 1.00 0.00 C +ATOM 768 CG ARG A 45 9.820 -4.651 13.966 1.00 0.00 C +ATOM 769 CD ARG A 45 10.872 -3.566 13.773 1.00 0.00 C +ATOM 770 NE ARG A 45 10.391 -2.241 14.191 1.00 0.00 N +ATOM 771 CZ ARG A 45 10.765 -1.068 13.654 1.00 0.00 C +ATOM 772 NH1 ARG A 45 11.605 -1.034 12.621 1.00 0.00 N +ATOM 773 NH2 ARG A 45 10.284 0.071 14.146 1.00 0.00 N +ATOM 774 H ARG A 45 6.707 -3.604 11.639 1.00 0.00 H +ATOM 775 HA ARG A 45 9.503 -3.463 11.479 1.00 0.00 H +ATOM 776 HB2 ARG A 45 8.159 -3.389 13.571 1.00 0.00 H +ATOM 777 HB3 ARG A 45 7.822 -5.101 13.385 1.00 0.00 H +ATOM 778 HG2 ARG A 45 9.582 -4.725 15.017 1.00 0.00 H +ATOM 779 HG3 ARG A 45 10.213 -5.593 13.614 1.00 0.00 H +ATOM 780 HD2 ARG A 45 11.747 -3.818 14.352 1.00 0.00 H +ATOM 781 HD3 ARG A 45 11.133 -3.529 12.728 1.00 0.00 H +ATOM 782 HE ARG A 45 9.752 -2.256 14.943 1.00 0.00 H +ATOM 783 HH11 ARG A 45 11.980 -1.874 12.216 1.00 0.00 H +ATOM 784 HH12 ARG A 45 11.895 -0.167 12.210 1.00 0.00 H +ATOM 785 HH21 ARG A 45 9.632 0.080 14.912 1.00 0.00 H +ATOM 786 HH22 ARG A 45 10.563 0.963 13.778 1.00 0.00 H +ATOM 787 N GLY A 46 10.351 -5.594 10.519 1.00 0.00 N +ATOM 788 CA GLY A 46 10.877 -6.831 9.959 1.00 0.00 C +ATOM 789 C GLY A 46 10.641 -6.944 8.467 1.00 0.00 C +ATOM 790 O GLY A 46 11.433 -7.550 7.743 1.00 0.00 O +ATOM 791 H GLY A 46 10.900 -4.781 10.490 1.00 0.00 H +ATOM 792 HA2 GLY A 46 11.939 -6.876 10.149 1.00 0.00 H +ATOM 793 HA3 GLY A 46 10.398 -7.664 10.452 1.00 0.00 H +ATOM 794 N MET A 47 9.577 -6.334 8.011 1.00 0.00 N +ATOM 795 CA MET A 47 9.185 -6.375 6.615 1.00 0.00 C +ATOM 796 C MET A 47 10.075 -5.459 5.798 1.00 0.00 C +ATOM 797 O MET A 47 10.422 -4.359 6.264 1.00 0.00 O +ATOM 798 CB MET A 47 7.725 -5.951 6.468 1.00 0.00 C +ATOM 799 CG MET A 47 6.729 -6.910 7.096 1.00 0.00 C +ATOM 800 SD MET A 47 6.594 -8.482 6.210 1.00 0.00 S +ATOM 801 CE MET A 47 5.848 -7.936 4.666 1.00 0.00 C +ATOM 802 H MET A 47 9.045 -5.812 8.649 1.00 0.00 H +ATOM 803 HA MET A 47 9.291 -7.391 6.266 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.611 -4.987 6.941 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.497 -5.852 5.418 1.00 0.00 H +ATOM 806 HG2 MET A 47 7.049 -7.114 8.106 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.757 -6.439 7.119 1.00 0.00 H +ATOM 808 HE1 MET A 47 5.700 -8.788 4.018 1.00 0.00 H +ATOM 809 HE2 MET A 47 6.489 -7.221 4.173 1.00 0.00 H +ATOM 810 HE3 MET A 47 4.891 -7.483 4.876 1.00 0.00 H +ATOM 811 N PRO A 48 10.480 -5.893 4.587 1.00 0.00 N +ATOM 812 CA PRO A 48 11.343 -5.103 3.708 1.00 0.00 C +ATOM 813 C PRO A 48 10.680 -3.803 3.246 1.00 0.00 C +ATOM 814 O PRO A 48 9.918 -3.785 2.271 1.00 0.00 O +ATOM 815 CB PRO A 48 11.638 -6.029 2.522 1.00 0.00 C +ATOM 816 CG PRO A 48 10.555 -7.054 2.550 1.00 0.00 C +ATOM 817 CD PRO A 48 10.137 -7.202 3.986 1.00 0.00 C +ATOM 818 HA PRO A 48 12.263 -4.854 4.215 1.00 0.00 H +ATOM 819 HB2 PRO A 48 11.620 -5.455 1.607 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.611 -6.479 2.647 1.00 0.00 H +ATOM 821 HG2 PRO A 48 9.719 -6.714 1.956 1.00 0.00 H +ATOM 822 HG3 PRO A 48 10.929 -7.993 2.169 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.076 -7.388 4.050 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.690 -7.998 4.462 1.00 0.00 H +ATOM 825 N ASP A 49 10.914 -2.750 4.039 1.00 0.00 N +ATOM 826 CA ASP A 49 10.394 -1.392 3.819 1.00 0.00 C +ATOM 827 C ASP A 49 8.924 -1.371 3.480 1.00 0.00 C +ATOM 828 O ASP A 49 8.492 -0.672 2.570 1.00 0.00 O +ATOM 829 CB ASP A 49 11.215 -0.593 2.794 1.00 0.00 C +ATOM 830 CG ASP A 49 12.553 -0.162 3.330 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.596 0.703 4.238 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.594 -0.687 2.885 1.00 0.00 O +ATOM 833 H ASP A 49 11.473 -2.927 4.824 1.00 0.00 H +ATOM 834 HA ASP A 49 10.486 -0.898 4.776 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.386 -1.209 1.923 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.658 0.285 2.503 1.00 0.00 H +ATOM 837 N CYS A 50 8.154 -2.113 4.227 1.00 0.00 N +ATOM 838 CA CYS A 50 6.740 -2.157 4.005 1.00 0.00 C +ATOM 839 C CYS A 50 6.062 -1.252 5.008 1.00 0.00 C +ATOM 840 O CYS A 50 6.511 -1.141 6.152 1.00 0.00 O +ATOM 841 CB CYS A 50 6.229 -3.587 4.125 1.00 0.00 C +ATOM 842 SG CYS A 50 7.063 -4.760 3.026 1.00 0.00 S +ATOM 843 H CYS A 50 8.544 -2.641 4.953 1.00 0.00 H +ATOM 844 HA CYS A 50 6.539 -1.786 3.013 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.372 -3.926 5.141 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.175 -3.605 3.890 1.00 0.00 H +ATOM 847 HG CYS A 50 8.157 -4.168 2.553 1.00 0.00 H +ATOM 848 N TYR A 51 5.036 -0.580 4.574 1.00 0.00 N +ATOM 849 CA TYR A 51 4.313 0.358 5.393 1.00 0.00 C +ATOM 850 C TYR A 51 2.839 0.112 5.223 1.00 0.00 C +ATOM 851 O TYR A 51 2.406 -0.373 4.165 1.00 0.00 O +ATOM 852 CB TYR A 51 4.626 1.811 4.976 1.00 0.00 C +ATOM 853 CG TYR A 51 6.086 2.211 5.063 1.00 0.00 C +ATOM 854 CD1 TYR A 51 6.986 1.841 4.083 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.558 2.959 6.118 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.311 2.195 4.156 1.00 0.00 C +ATOM 857 CE2 TYR A 51 7.886 3.319 6.195 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.753 2.931 5.209 1.00 0.00 C +ATOM 859 OH TYR A 51 10.078 3.274 5.289 1.00 0.00 O +ATOM 860 H TYR A 51 4.736 -0.717 3.645 1.00 0.00 H +ATOM 861 HA TYR A 51 4.594 0.219 6.425 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.314 1.950 3.952 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.057 2.482 5.603 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.634 1.254 3.248 1.00 0.00 H +ATOM 865 HD2 TYR A 51 5.874 3.264 6.896 1.00 0.00 H +ATOM 866 HE1 TYR A 51 8.994 1.892 3.376 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.238 3.903 7.033 1.00 0.00 H +ATOM 868 HH TYR A 51 10.369 3.618 4.435 1.00 0.00 H +ATOM 869 N LYS A 52 2.080 0.419 6.235 1.00 0.00 N +ATOM 870 CA LYS A 52 0.653 0.254 6.183 1.00 0.00 C +ATOM 871 C LYS A 52 -0.049 1.586 6.405 1.00 0.00 C +ATOM 872 O LYS A 52 0.389 2.405 7.221 1.00 0.00 O +ATOM 873 CB LYS A 52 0.168 -0.768 7.237 1.00 0.00 C +ATOM 874 CG LYS A 52 0.528 -0.406 8.680 1.00 0.00 C +ATOM 875 CD LYS A 52 -0.148 -1.329 9.680 1.00 0.00 C +ATOM 876 CE LYS A 52 0.252 -0.986 11.108 1.00 0.00 C +ATOM 877 NZ LYS A 52 -0.517 -1.761 12.107 1.00 0.00 N +ATOM 878 H LYS A 52 2.499 0.783 7.048 1.00 0.00 H +ATOM 879 HA LYS A 52 0.397 -0.117 5.202 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.907 -0.847 7.170 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.601 -1.731 7.009 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.599 -0.480 8.805 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.217 0.609 8.870 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -1.219 -1.225 9.583 1.00 0.00 H +ATOM 885 HD3 LYS A 52 0.132 -2.350 9.470 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.300 -1.217 11.227 1.00 0.00 H +ATOM 887 HE3 LYS A 52 0.103 0.070 11.273 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 -0.351 -2.783 12.028 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 -1.539 -1.588 12.042 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 -0.246 -1.483 13.073 1.00 0.00 H +ATOM 891 N ILE A 53 -1.100 1.807 5.670 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.949 2.965 5.856 1.00 0.00 C +ATOM 893 C ILE A 53 -3.341 2.472 6.182 1.00 0.00 C +ATOM 894 O ILE A 53 -3.823 1.523 5.559 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.989 3.901 4.600 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.589 4.480 4.318 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -3.021 5.029 4.779 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.534 5.448 3.150 1.00 0.00 C +ATOM 899 H ILE A 53 -1.325 1.161 4.961 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.570 3.515 6.705 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.298 3.305 3.753 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.246 5.009 5.194 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.091 3.666 4.111 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -3.055 5.638 3.888 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.747 5.662 5.611 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -4.001 4.614 4.960 1.00 0.00 H +ATOM 907 HD11 ILE A 53 0.489 5.754 2.983 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -1.124 6.318 3.393 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -0.927 4.978 2.261 1.00 0.00 H +ATOM 910 N LYS A 54 -3.953 3.072 7.169 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.277 2.694 7.598 1.00 0.00 C +ATOM 912 C LYS A 54 -6.325 3.734 7.198 1.00 0.00 C +ATOM 913 O LYS A 54 -5.997 4.911 6.968 1.00 0.00 O +ATOM 914 CB LYS A 54 -5.293 2.337 9.099 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.507 3.270 10.000 1.00 0.00 C +ATOM 916 CD LYS A 54 -5.120 4.639 10.114 1.00 0.00 C +ATOM 917 CE LYS A 54 -4.178 5.549 10.833 1.00 0.00 C +ATOM 918 NZ LYS A 54 -4.729 6.891 11.037 1.00 0.00 N +ATOM 919 H LYS A 54 -3.515 3.826 7.615 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.507 1.802 7.037 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -6.316 2.366 9.437 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.908 1.337 9.230 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.454 2.837 10.986 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -3.506 3.361 9.603 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -5.317 5.022 9.124 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -6.040 4.563 10.673 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -3.929 5.106 11.784 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -3.300 5.614 10.208 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -5.629 6.853 11.555 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -4.854 7.397 10.137 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -4.059 7.446 11.611 1.00 0.00 H +ATOM 932 N LEU A 55 -7.560 3.314 7.126 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.612 4.154 6.612 1.00 0.00 C +ATOM 934 C LEU A 55 -9.334 4.901 7.737 1.00 0.00 C +ATOM 935 O LEU A 55 -9.194 4.568 8.924 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.628 3.305 5.844 1.00 0.00 C +ATOM 937 CG LEU A 55 -10.475 4.040 4.820 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -9.668 4.307 3.584 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -11.743 3.293 4.487 1.00 0.00 C +ATOM 940 H LEU A 55 -7.766 2.396 7.413 1.00 0.00 H +ATOM 941 HA LEU A 55 -8.165 4.862 5.932 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -9.087 2.520 5.337 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -10.290 2.846 6.564 1.00 0.00 H +ATOM 944 HG LEU A 55 -10.745 5.002 5.229 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -9.263 3.378 3.211 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -8.868 4.999 3.798 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -10.325 4.721 2.835 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.503 2.301 4.141 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -12.250 3.839 3.704 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -12.378 3.240 5.358 1.00 0.00 H +ATOM 951 N ARG A 56 -10.109 5.897 7.361 1.00 0.00 N +ATOM 952 CA ARG A 56 -10.892 6.667 8.304 1.00 0.00 C +ATOM 953 C ARG A 56 -12.281 6.058 8.499 1.00 0.00 C +ATOM 954 O ARG A 56 -12.665 5.742 9.619 1.00 0.00 O +ATOM 955 CB ARG A 56 -11.008 8.124 7.847 1.00 0.00 C +ATOM 956 CG ARG A 56 -9.700 8.906 7.879 1.00 0.00 C +ATOM 957 CD ARG A 56 -9.160 9.006 9.296 1.00 0.00 C +ATOM 958 NE ARG A 56 -7.915 9.780 9.379 1.00 0.00 N +ATOM 959 CZ ARG A 56 -7.060 9.732 10.420 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -7.236 8.837 11.397 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -6.011 10.541 10.460 1.00 0.00 N +ATOM 962 H ARG A 56 -10.150 6.138 6.412 1.00 0.00 H +ATOM 963 HA ARG A 56 -10.382 6.642 9.253 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -11.380 8.133 6.832 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -11.724 8.625 8.480 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -8.973 8.402 7.260 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -9.877 9.901 7.498 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -9.902 9.482 9.920 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -8.971 8.009 9.665 1.00 0.00 H +ATOM 970 HE ARG A 56 -7.757 10.383 8.616 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -7.987 8.170 11.386 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -6.630 8.794 12.198 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -5.813 11.208 9.737 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -5.360 10.503 11.224 1.00 0.00 H +ATOM 975 N SER A 57 -13.011 5.875 7.401 1.00 0.00 N +ATOM 976 CA SER A 57 -14.383 5.362 7.443 1.00 0.00 C +ATOM 977 C SER A 57 -14.493 3.971 8.123 1.00 0.00 C +ATOM 978 O SER A 57 -15.175 3.815 9.138 1.00 0.00 O +ATOM 979 CB SER A 57 -14.936 5.305 6.027 1.00 0.00 C +ATOM 980 OG SER A 57 -14.781 6.559 5.367 1.00 0.00 O +ATOM 981 H SER A 57 -12.639 6.123 6.527 1.00 0.00 H +ATOM 982 HA SER A 57 -14.977 6.065 8.008 1.00 0.00 H +ATOM 983 HB2 SER A 57 -14.409 4.547 5.465 1.00 0.00 H +ATOM 984 HB3 SER A 57 -15.985 5.060 6.068 1.00 0.00 H +ATOM 985 HG SER A 57 -14.695 7.250 6.040 1.00 0.00 H +ATOM 986 N SER A 58 -13.814 2.985 7.580 1.00 0.00 N +ATOM 987 CA SER A 58 -13.866 1.644 8.113 1.00 0.00 C +ATOM 988 C SER A 58 -12.471 1.057 8.225 1.00 0.00 C +ATOM 989 O SER A 58 -11.487 1.749 7.929 1.00 0.00 O +ATOM 990 CB SER A 58 -14.797 0.771 7.270 1.00 0.00 C +ATOM 991 OG SER A 58 -16.134 1.270 7.335 1.00 0.00 O +ATOM 992 H SER A 58 -13.237 3.153 6.809 1.00 0.00 H +ATOM 993 HA SER A 58 -14.269 1.721 9.112 1.00 0.00 H +ATOM 994 HB2 SER A 58 -14.468 0.788 6.242 1.00 0.00 H +ATOM 995 HB3 SER A 58 -14.784 -0.242 7.640 1.00 0.00 H +ATOM 996 HG SER A 58 -16.252 1.904 6.616 1.00 0.00 H +ATOM 997 N GLY A 59 -12.378 -0.186 8.650 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.105 -0.823 8.900 1.00 0.00 C +ATOM 999 C GLY A 59 -10.428 -1.372 7.657 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.209 -2.582 7.542 1.00 0.00 O +ATOM 1001 H GLY A 59 -13.187 -0.721 8.811 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.448 -0.104 9.364 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.264 -1.633 9.595 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.095 -0.500 6.745 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.373 -0.872 5.544 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.940 -0.462 5.694 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.656 0.592 6.259 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.969 -0.228 4.291 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.285 -0.819 3.842 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.471 -0.510 4.485 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.332 -1.692 2.762 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.667 -1.054 4.070 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.523 -2.239 2.338 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.690 -1.917 2.997 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.886 -2.471 2.584 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.307 0.445 6.905 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.417 -1.946 5.452 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.131 0.821 4.484 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.263 -0.326 3.479 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.449 0.167 5.326 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.415 -1.943 2.250 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.577 -0.801 4.589 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.538 -2.915 1.497 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.535 -1.759 2.521 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.042 -1.295 5.250 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.635 -1.011 5.339 1.00 0.00 C +ATOM 1027 C ARG A 61 -4.960 -1.372 4.044 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.328 -2.351 3.381 1.00 0.00 O +ATOM 1029 CB ARG A 61 -4.921 -1.714 6.538 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.363 -1.249 7.936 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.669 -1.894 8.376 1.00 0.00 C +ATOM 1032 NE ARG A 61 -7.240 -1.268 9.577 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -7.726 -1.931 10.638 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -7.417 -3.204 10.831 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -8.443 -1.296 11.553 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.315 -2.119 4.781 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.547 0.058 5.462 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.103 -2.776 6.469 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -3.859 -1.545 6.444 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.593 -1.494 8.652 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -5.494 -0.177 7.909 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -7.382 -1.804 7.570 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.492 -2.940 8.575 1.00 0.00 H +ATOM 1044 HE ARG A 61 -7.339 -0.291 9.508 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -6.810 -3.698 10.210 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -7.796 -3.709 11.612 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -8.650 -0.315 11.510 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -8.832 -1.796 12.333 1.00 0.00 H +ATOM 1049 N LEU A 62 -4.013 -0.582 3.676 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.271 -0.782 2.472 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.809 -0.957 2.856 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.267 -0.157 3.630 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.521 0.428 1.529 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.909 0.404 0.114 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.598 1.434 -0.763 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.437 0.726 0.159 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.793 0.186 4.249 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.625 -1.687 2.001 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.589 0.533 1.415 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.157 1.310 2.035 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.039 -0.575 -0.326 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.480 2.415 -0.326 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -4.648 1.196 -0.846 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.149 1.421 -1.745 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.038 0.743 -0.845 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -0.924 -0.025 0.742 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.307 1.694 0.619 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.194 -2.011 2.360 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.185 -2.320 2.680 1.00 0.00 C +ATOM 1070 C VAL A 63 1.027 -2.240 1.407 1.00 0.00 C +ATOM 1071 O VAL A 63 0.708 -2.878 0.379 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.329 -3.740 3.315 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.762 -3.997 3.769 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.635 -3.921 4.485 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.667 -2.599 1.729 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.539 -1.581 3.381 1.00 0.00 H +ATOM 1077 HB VAL A 63 0.085 -4.470 2.557 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 1.842 -4.993 4.176 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.022 -3.289 4.544 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 2.439 -3.887 2.935 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.422 -3.184 5.244 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.519 -4.910 4.902 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -1.651 -3.795 4.137 1.00 0.00 H +ATOM 1084 N TYR A 64 2.074 -1.469 1.464 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.939 -1.264 0.330 1.00 0.00 C +ATOM 1086 C TYR A 64 4.381 -1.346 0.743 1.00 0.00 C +ATOM 1087 O TYR A 64 4.694 -1.207 1.919 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.660 0.090 -0.359 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.764 1.324 0.528 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 3.979 1.759 1.049 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.645 2.067 0.809 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.056 2.888 1.823 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.712 3.193 1.580 1.00 0.00 C +ATOM 1094 CZ TYR A 64 2.920 3.601 2.087 1.00 0.00 C +ATOM 1095 OH TYR A 64 2.987 4.721 2.868 1.00 0.00 O +ATOM 1096 H TYR A 64 2.295 -1.028 2.315 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.740 -2.054 -0.379 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.358 0.222 -1.171 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.659 0.065 -0.764 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.872 1.187 0.841 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.697 1.746 0.409 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.009 3.210 2.213 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.808 3.750 1.774 1.00 0.00 H +ATOM 1104 HH TYR A 64 2.263 4.696 3.499 1.00 0.00 H +ATOM 1105 N GLN A 65 5.236 -1.595 -0.198 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.649 -1.572 0.049 1.00 0.00 C +ATOM 1107 C GLN A 65 7.232 -0.358 -0.635 1.00 0.00 C +ATOM 1108 O GLN A 65 6.801 0.016 -1.730 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.345 -2.833 -0.464 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.191 -3.055 -1.962 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.006 -4.205 -2.500 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.604 -4.852 -3.456 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.170 -4.439 -1.941 1.00 0.00 N +ATOM 1114 H GLN A 65 4.912 -1.768 -1.110 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.809 -1.477 1.111 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.396 -2.754 -0.235 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.942 -3.690 0.055 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.151 -3.253 -2.175 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.486 -2.150 -2.473 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.471 -3.860 -1.205 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.712 -5.177 -2.281 1.00 0.00 H +ATOM 1122 N VAL A 66 8.146 0.273 -0.002 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.808 1.381 -0.598 1.00 0.00 C +ATOM 1124 C VAL A 66 10.130 0.907 -1.111 1.00 0.00 C +ATOM 1125 O VAL A 66 11.005 0.509 -0.342 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.011 2.548 0.396 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.770 3.703 -0.257 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.670 3.030 0.904 1.00 0.00 C +ATOM 1129 H VAL A 66 8.397 -0.021 0.903 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.209 1.723 -1.429 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.586 2.190 1.237 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 9.897 4.502 0.459 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 9.211 4.066 -1.107 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 10.737 3.357 -0.586 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.829 3.768 1.675 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.120 2.194 1.312 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 7.106 3.468 0.094 1.00 0.00 H +ATOM 1138 N ILE A 67 10.264 0.888 -2.389 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.485 0.502 -2.979 1.00 0.00 C +ATOM 1140 C ILE A 67 12.218 1.774 -3.289 1.00 0.00 C +ATOM 1141 O ILE A 67 11.987 2.407 -4.332 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.256 -0.293 -4.287 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.260 -1.435 -4.042 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.583 -0.849 -4.798 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.858 -2.179 -5.292 1.00 0.00 C +ATOM 1146 H ILE A 67 9.524 1.163 -2.977 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.048 -0.097 -2.279 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.850 0.375 -5.031 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.703 -2.152 -3.367 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.366 -1.029 -3.592 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 12.415 -1.393 -5.716 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 13.002 -1.515 -4.058 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.270 -0.036 -4.981 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 9.164 -2.968 -5.043 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 10.742 -2.599 -5.747 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 9.393 -1.490 -5.983 1.00 0.00 H +ATOM 1157 N ASP A 68 13.076 2.175 -2.384 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.815 3.424 -2.539 1.00 0.00 C +ATOM 1159 C ASP A 68 14.801 3.308 -3.678 1.00 0.00 C +ATOM 1160 O ASP A 68 15.059 4.271 -4.392 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.518 3.810 -1.241 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.254 5.125 -1.350 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 14.616 6.197 -1.239 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 16.471 5.119 -1.545 1.00 0.00 O +ATOM 1165 H ASP A 68 13.200 1.635 -1.570 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.098 4.190 -2.794 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 13.788 3.892 -0.449 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.232 3.040 -0.988 1.00 0.00 H +ATOM 1169 N GLU A 69 15.267 2.084 -3.886 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.213 1.742 -4.944 1.00 0.00 C +ATOM 1171 C GLU A 69 15.658 2.133 -6.316 1.00 0.00 C +ATOM 1172 O GLU A 69 16.391 2.556 -7.196 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.448 0.237 -4.961 1.00 0.00 C +ATOM 1174 CG GLU A 69 16.787 -0.379 -3.622 1.00 0.00 C +ATOM 1175 CD GLU A 69 16.987 -1.864 -3.740 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 16.053 -2.571 -4.178 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 18.092 -2.355 -3.455 1.00 0.00 O +ATOM 1178 H GLU A 69 14.970 1.388 -3.266 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.153 2.240 -4.761 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.557 -0.247 -5.330 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.258 0.025 -5.644 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 17.698 0.064 -3.251 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 15.981 -0.192 -2.929 1.00 0.00 H +ATOM 1184 N LYS A 70 14.368 1.932 -6.503 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.723 2.225 -7.774 1.00 0.00 C +ATOM 1186 C LYS A 70 12.825 3.449 -7.671 1.00 0.00 C +ATOM 1187 O LYS A 70 12.157 3.838 -8.639 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.988 0.986 -8.281 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.950 -0.164 -8.539 1.00 0.00 C +ATOM 1190 CD LYS A 70 13.258 -1.450 -8.919 1.00 0.00 C +ATOM 1191 CE LYS A 70 14.287 -2.553 -9.100 1.00 0.00 C +ATOM 1192 NZ LYS A 70 13.670 -3.866 -9.330 1.00 0.00 N +ATOM 1193 H LYS A 70 13.832 1.589 -5.758 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.515 2.464 -8.468 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.268 0.677 -7.537 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.478 1.219 -9.204 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.611 0.114 -9.345 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.534 -0.325 -7.645 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 12.568 -1.728 -8.135 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.724 -1.309 -9.847 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 14.902 -2.309 -9.954 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 14.911 -2.600 -8.221 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 13.184 -3.911 -10.248 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 12.994 -4.101 -8.578 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 14.396 -4.609 -9.316 1.00 0.00 H +ATOM 1206 N VAL A 71 12.834 4.054 -6.473 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.103 5.292 -6.150 1.00 0.00 C +ATOM 1208 C VAL A 71 10.574 5.067 -6.326 1.00 0.00 C +ATOM 1209 O VAL A 71 9.810 5.975 -6.650 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.603 6.501 -7.034 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 12.114 7.833 -6.485 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.127 6.517 -7.161 1.00 0.00 C +ATOM 1213 H VAL A 71 13.362 3.646 -5.754 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.291 5.509 -5.108 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.180 6.382 -8.021 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 12.501 8.629 -7.103 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.467 7.959 -5.472 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 11.035 7.856 -6.502 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.577 6.595 -6.184 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.429 7.365 -7.761 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.456 5.607 -7.640 1.00 0.00 H +ATOM 1222 N VAL A 72 10.126 3.876 -6.032 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.743 3.549 -6.241 1.00 0.00 C +ATOM 1224 C VAL A 72 8.146 2.853 -5.030 1.00 0.00 C +ATOM 1225 O VAL A 72 8.787 2.039 -4.373 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.528 2.704 -7.545 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.250 1.379 -7.491 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.050 2.500 -7.872 1.00 0.00 C +ATOM 1229 H VAL A 72 10.723 3.215 -5.619 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.222 4.488 -6.365 1.00 0.00 H +ATOM 1231 HB VAL A 72 8.972 3.267 -8.351 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 9.048 0.843 -8.406 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 8.893 0.813 -6.644 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 10.311 1.556 -7.399 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.960 1.916 -8.776 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.574 3.459 -8.015 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.573 1.977 -7.055 1.00 0.00 H +ATOM 1238 N VAL A 73 6.959 3.235 -4.730 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.170 2.674 -3.700 1.00 0.00 C +ATOM 1240 C VAL A 73 5.232 1.683 -4.372 1.00 0.00 C +ATOM 1241 O VAL A 73 4.400 2.061 -5.214 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.361 3.787 -2.989 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.503 3.220 -1.895 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.288 4.862 -2.437 1.00 0.00 C +ATOM 1245 H VAL A 73 6.545 3.954 -5.254 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.805 2.167 -2.990 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.716 4.249 -3.721 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 3.954 4.017 -1.413 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 5.128 2.721 -1.169 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.806 2.508 -2.314 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 6.991 4.414 -1.751 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 5.705 5.608 -1.916 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 6.826 5.324 -3.251 1.00 0.00 H +ATOM 1254 N PHE A 74 5.388 0.442 -4.045 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.666 -0.606 -4.699 1.00 0.00 C +ATOM 1256 C PHE A 74 3.655 -1.212 -3.732 1.00 0.00 C +ATOM 1257 O PHE A 74 4.033 -1.795 -2.711 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.669 -1.665 -5.178 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.145 -2.616 -6.210 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.432 -3.745 -5.855 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 5.389 -2.381 -7.548 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 3.972 -4.615 -6.819 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.931 -3.246 -8.512 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.220 -4.365 -8.148 1.00 0.00 C +ATOM 1265 H PHE A 74 6.003 0.216 -3.312 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.153 -0.199 -5.558 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.528 -1.168 -5.600 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 5.990 -2.243 -4.324 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 4.233 -3.940 -4.811 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.947 -1.502 -7.836 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 3.417 -5.496 -6.533 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 5.132 -3.041 -9.553 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.858 -5.047 -8.903 1.00 0.00 H +ATOM 1274 N VAL A 75 2.388 -1.049 -4.038 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.311 -1.577 -3.217 1.00 0.00 C +ATOM 1276 C VAL A 75 1.240 -3.082 -3.385 1.00 0.00 C +ATOM 1277 O VAL A 75 1.111 -3.570 -4.499 1.00 0.00 O +ATOM 1278 CB VAL A 75 -0.052 -0.937 -3.588 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.186 -1.499 -2.733 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.022 0.580 -3.462 1.00 0.00 C +ATOM 1281 H VAL A 75 2.174 -0.564 -4.868 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.539 -1.356 -2.185 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.264 -1.181 -4.617 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -2.114 -1.014 -2.997 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -0.969 -1.335 -1.688 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -1.273 -2.561 -2.911 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.750 0.959 -4.163 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 0.330 0.846 -2.463 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 -0.944 1.012 -3.678 1.00 0.00 H +ATOM 1290 N ILE A 76 1.329 -3.801 -2.289 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.359 -5.251 -2.343 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.022 -5.823 -2.060 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.473 -6.762 -2.726 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.340 -5.826 -1.289 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.724 -5.182 -1.423 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.453 -7.344 -1.440 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.688 -5.602 -0.338 1.00 0.00 C +ATOM 1298 H ILE A 76 1.360 -3.355 -1.415 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.691 -5.557 -3.324 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.947 -5.612 -0.306 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.156 -5.463 -2.373 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.619 -4.108 -1.381 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 2.804 -7.581 -2.433 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 1.486 -7.798 -1.278 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 3.157 -7.720 -0.712 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 4.314 -5.274 0.620 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 5.661 -5.171 -0.523 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 4.764 -6.680 -0.337 1.00 0.00 H +ATOM 1309 N SER A 77 -0.693 -5.263 -1.081 1.00 0.00 N +ATOM 1310 CA SER A 77 -1.983 -5.761 -0.668 1.00 0.00 C +ATOM 1311 C SER A 77 -2.860 -4.611 -0.193 1.00 0.00 C +ATOM 1312 O SER A 77 -2.360 -3.626 0.372 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.794 -6.793 0.451 1.00 0.00 C +ATOM 1314 OG SER A 77 -0.952 -7.850 0.024 1.00 0.00 O +ATOM 1315 H SER A 77 -0.332 -4.487 -0.599 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.449 -6.244 -1.512 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.332 -6.312 1.301 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.752 -7.200 0.738 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.883 -7.783 -0.935 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.140 -4.719 -0.442 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.089 -3.708 -0.057 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.439 -4.371 0.240 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.806 -5.350 -0.413 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.225 -2.604 -1.166 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.696 -3.175 -2.497 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.132 -1.476 -0.718 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.495 -5.516 -0.891 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.726 -3.251 0.853 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.238 -2.196 -1.330 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -6.663 -3.637 -2.365 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -4.989 -3.917 -2.839 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -5.771 -2.382 -3.226 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.728 -1.024 0.177 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -7.117 -1.866 -0.510 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.196 -0.732 -1.499 1.00 0.00 H +ATOM 1336 N GLY A 79 -7.120 -3.890 1.251 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.417 -4.410 1.610 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.640 -4.218 3.078 1.00 0.00 C +ATOM 1339 O GLY A 79 -8.077 -3.296 3.664 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.737 -3.179 1.812 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -9.179 -3.885 1.055 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.458 -5.464 1.382 1.00 0.00 H +ATOM 1343 N LYS A 80 -9.439 -5.044 3.691 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.600 -4.948 5.118 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.596 -5.852 5.749 1.00 0.00 C +ATOM 1346 O LYS A 80 -8.229 -6.883 5.168 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.997 -5.348 5.605 1.00 0.00 C +ATOM 1348 CG LYS A 80 -12.151 -4.588 4.977 1.00 0.00 C +ATOM 1349 CD LYS A 80 -13.469 -4.844 5.720 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.785 -6.332 5.859 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -13.942 -7.012 4.561 1.00 0.00 N +ATOM 1352 H LYS A 80 -9.897 -5.752 3.191 1.00 0.00 H +ATOM 1353 HA LYS A 80 -9.386 -3.933 5.415 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -11.141 -6.397 5.403 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -11.036 -5.199 6.675 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.931 -3.531 5.007 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -12.259 -4.905 3.951 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -13.400 -4.417 6.709 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -14.271 -4.362 5.178 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -12.988 -6.814 6.406 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -14.701 -6.435 6.421 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -13.145 -6.803 3.928 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -14.829 -6.752 4.086 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -13.933 -8.039 4.744 1.00 0.00 H +ATOM 1365 N ALA A 81 -8.134 -5.504 6.911 1.00 0.00 N +ATOM 1366 CA ALA A 81 -7.208 -6.353 7.589 1.00 0.00 C +ATOM 1367 C ALA A 81 -7.969 -7.392 8.378 1.00 0.00 C +ATOM 1368 O ALA A 81 -8.087 -7.309 9.604 1.00 0.00 O +ATOM 1369 CB ALA A 81 -6.242 -5.574 8.462 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.453 -4.678 7.330 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.648 -6.872 6.824 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -6.799 -5.094 9.252 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -5.734 -4.831 7.866 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -5.517 -6.250 8.893 1.00 0.00 H +ATOM 1375 N GLU A 82 -8.547 -8.305 7.653 1.00 0.00 N +ATOM 1376 CA GLU A 82 -9.299 -9.391 8.198 1.00 0.00 C +ATOM 1377 C GLU A 82 -8.448 -10.641 8.157 1.00 0.00 C +ATOM 1378 O GLU A 82 -7.842 -10.953 7.118 1.00 0.00 O +ATOM 1379 CB GLU A 82 -10.638 -9.559 7.431 1.00 0.00 C +ATOM 1380 CG GLU A 82 -10.487 -9.620 5.912 1.00 0.00 C +ATOM 1381 CD GLU A 82 -11.802 -9.683 5.153 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -12.875 -9.408 5.719 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -11.778 -9.943 3.938 1.00 0.00 O +ATOM 1384 H GLU A 82 -8.462 -8.244 6.676 1.00 0.00 H +ATOM 1385 HA GLU A 82 -9.509 -9.147 9.227 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -11.110 -10.475 7.756 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -11.287 -8.731 7.674 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -9.957 -8.737 5.584 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -9.901 -10.492 5.662 1.00 0.00 H +ATOM 1390 N ALA A 83 -8.296 -11.276 9.322 1.00 0.00 N +ATOM 1391 CA ALA A 83 -7.527 -12.529 9.485 1.00 0.00 C +ATOM 1392 C ALA A 83 -6.051 -12.367 9.083 1.00 0.00 C +ATOM 1393 O ALA A 83 -5.345 -13.349 8.874 1.00 0.00 O +ATOM 1394 CB ALA A 83 -8.183 -13.674 8.712 1.00 0.00 C +ATOM 1395 H ALA A 83 -8.729 -10.890 10.115 1.00 0.00 H +ATOM 1396 HA ALA A 83 -7.551 -12.775 10.537 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -7.662 -14.596 8.919 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -8.139 -13.465 7.654 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -9.215 -13.765 9.016 1.00 0.00 H +ATOM 1400 N SER A 84 -5.595 -11.111 9.021 1.00 0.00 N +ATOM 1401 CA SER A 84 -4.228 -10.752 8.653 1.00 0.00 C +ATOM 1402 C SER A 84 -3.876 -11.222 7.224 1.00 0.00 C +ATOM 1403 O SER A 84 -2.701 -11.486 6.912 1.00 0.00 O +ATOM 1404 CB SER A 84 -3.253 -11.304 9.698 1.00 0.00 C +ATOM 1405 OG SER A 84 -3.655 -10.884 11.005 1.00 0.00 O +ATOM 1406 H SER A 84 -6.219 -10.393 9.257 1.00 0.00 H +ATOM 1407 HA SER A 84 -4.174 -9.673 8.666 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -3.251 -12.383 9.653 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -2.257 -10.931 9.502 1.00 0.00 H +ATOM 1410 HG SER A 84 -4.252 -10.131 10.897 1.00 0.00 H +ATOM 1411 N GLU A 85 -4.892 -11.224 6.345 1.00 0.00 N +ATOM 1412 CA GLU A 85 -4.748 -11.642 4.944 1.00 0.00 C +ATOM 1413 C GLU A 85 -3.683 -10.798 4.243 1.00 0.00 C +ATOM 1414 O GLU A 85 -2.704 -11.324 3.704 1.00 0.00 O +ATOM 1415 CB GLU A 85 -6.088 -11.413 4.231 1.00 0.00 C +ATOM 1416 CG GLU A 85 -6.153 -11.911 2.793 1.00 0.00 C +ATOM 1417 CD GLU A 85 -6.194 -13.410 2.707 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -5.132 -14.058 2.671 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -7.302 -13.980 2.691 1.00 0.00 O +ATOM 1420 H GLU A 85 -5.792 -10.982 6.658 1.00 0.00 H +ATOM 1421 HA GLU A 85 -4.497 -12.689 4.887 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -6.861 -11.915 4.794 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -6.297 -10.353 4.234 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -7.042 -11.516 2.325 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -5.281 -11.556 2.265 1.00 0.00 H +ATOM 1426 N VAL A 86 -3.836 -9.487 4.360 1.00 0.00 N +ATOM 1427 CA VAL A 86 -2.968 -8.516 3.693 1.00 0.00 C +ATOM 1428 C VAL A 86 -1.526 -8.530 4.216 1.00 0.00 C +ATOM 1429 O VAL A 86 -0.638 -8.011 3.576 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.550 -7.072 3.760 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -4.879 -6.993 3.022 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -3.719 -6.609 5.206 1.00 0.00 C +ATOM 1433 H VAL A 86 -4.586 -9.159 4.894 1.00 0.00 H +ATOM 1434 HA VAL A 86 -2.936 -8.807 2.653 1.00 0.00 H +ATOM 1435 HB VAL A 86 -2.853 -6.412 3.265 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -4.736 -7.263 1.986 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -5.266 -5.987 3.078 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -5.582 -7.674 3.478 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -2.759 -6.622 5.701 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -4.396 -7.274 5.721 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -4.118 -5.605 5.222 1.00 0.00 H +ATOM 1442 N TYR A 87 -1.305 -9.107 5.377 1.00 0.00 N +ATOM 1443 CA TYR A 87 0.043 -9.173 5.912 1.00 0.00 C +ATOM 1444 C TYR A 87 0.712 -10.467 5.490 1.00 0.00 C +ATOM 1445 O TYR A 87 1.870 -10.476 5.068 1.00 0.00 O +ATOM 1446 CB TYR A 87 0.055 -9.034 7.439 1.00 0.00 C +ATOM 1447 CG TYR A 87 -0.485 -7.711 7.942 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 0.312 -6.575 7.945 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 -1.787 -7.599 8.413 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 -0.170 -5.365 8.400 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 -2.277 -6.392 8.872 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -1.465 -5.278 8.863 1.00 0.00 C +ATOM 1453 OH TYR A 87 -1.952 -4.065 9.311 1.00 0.00 O +ATOM 1454 H TYR A 87 -2.052 -9.513 5.861 1.00 0.00 H +ATOM 1455 HA TYR A 87 0.597 -8.352 5.480 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 -0.533 -9.828 7.871 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 1.073 -9.128 7.786 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 1.327 -6.644 7.581 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 -2.420 -8.473 8.420 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 0.466 -4.493 8.394 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 -3.292 -6.324 9.236 1.00 0.00 H +ATOM 1462 HH TYR A 87 -1.673 -3.396 8.678 1.00 0.00 H +ATOM 1463 N SER A 88 -0.047 -11.546 5.551 1.00 0.00 N +ATOM 1464 CA SER A 88 0.466 -12.863 5.267 1.00 0.00 C +ATOM 1465 C SER A 88 0.835 -13.034 3.785 1.00 0.00 C +ATOM 1466 O SER A 88 1.920 -13.538 3.466 1.00 0.00 O +ATOM 1467 CB SER A 88 -0.547 -13.918 5.718 1.00 0.00 C +ATOM 1468 OG SER A 88 -0.886 -13.737 7.099 1.00 0.00 O +ATOM 1469 H SER A 88 -0.992 -11.457 5.793 1.00 0.00 H +ATOM 1470 HA SER A 88 1.368 -12.995 5.845 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -1.444 -13.809 5.129 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -0.130 -14.905 5.585 1.00 0.00 H +ATOM 1473 HG SER A 88 -1.655 -13.150 7.119 1.00 0.00 H +ATOM 1474 N GLU A 89 -0.032 -12.588 2.878 1.00 0.00 N +ATOM 1475 CA GLU A 89 0.268 -12.750 1.464 1.00 0.00 C +ATOM 1476 C GLU A 89 1.371 -11.807 1.015 1.00 0.00 C +ATOM 1477 O GLU A 89 2.136 -12.125 0.098 1.00 0.00 O +ATOM 1478 CB GLU A 89 -0.959 -12.621 0.569 1.00 0.00 C +ATOM 1479 CG GLU A 89 -1.651 -11.274 0.569 1.00 0.00 C +ATOM 1480 CD GLU A 89 -2.683 -11.205 -0.522 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -2.343 -10.791 -1.649 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -3.837 -11.611 -0.303 1.00 0.00 O +ATOM 1483 H GLU A 89 -0.871 -12.152 3.152 1.00 0.00 H +ATOM 1484 HA GLU A 89 0.662 -13.751 1.366 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -0.657 -12.822 -0.446 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -1.672 -13.368 0.881 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -2.135 -11.125 1.524 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -0.917 -10.498 0.407 1.00 0.00 H +ATOM 1489 N ALA A 90 1.455 -10.664 1.671 1.00 0.00 N +ATOM 1490 CA ALA A 90 2.467 -9.668 1.374 1.00 0.00 C +ATOM 1491 C ALA A 90 3.858 -10.233 1.595 1.00 0.00 C +ATOM 1492 O ALA A 90 4.702 -10.197 0.695 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.259 -8.421 2.220 1.00 0.00 C +ATOM 1494 H ALA A 90 0.787 -10.490 2.364 1.00 0.00 H +ATOM 1495 HA ALA A 90 2.361 -9.397 0.334 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 2.985 -7.671 1.944 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 2.383 -8.672 3.263 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 1.263 -8.034 2.058 1.00 0.00 H +ATOM 1499 N VAL A 91 4.083 -10.797 2.774 1.00 0.00 N +ATOM 1500 CA VAL A 91 5.380 -11.356 3.105 1.00 0.00 C +ATOM 1501 C VAL A 91 5.727 -12.572 2.221 1.00 0.00 C +ATOM 1502 O VAL A 91 6.850 -12.681 1.720 1.00 0.00 O +ATOM 1503 CB VAL A 91 5.527 -11.669 4.634 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 4.470 -12.630 5.144 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 6.913 -12.178 4.955 1.00 0.00 C +ATOM 1506 H VAL A 91 3.358 -10.816 3.436 1.00 0.00 H +ATOM 1507 HA VAL A 91 6.098 -10.589 2.847 1.00 0.00 H +ATOM 1508 HB VAL A 91 5.388 -10.738 5.167 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 4.621 -12.810 6.198 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 4.545 -13.561 4.603 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 3.491 -12.203 4.987 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 7.122 -13.060 4.369 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 6.953 -12.425 6.005 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 7.639 -11.410 4.738 1.00 0.00 H +ATOM 1515 N LYS A 92 4.740 -13.436 1.960 1.00 0.00 N +ATOM 1516 CA LYS A 92 4.968 -14.619 1.117 1.00 0.00 C +ATOM 1517 C LYS A 92 5.222 -14.269 -0.344 1.00 0.00 C +ATOM 1518 O LYS A 92 5.744 -15.095 -1.101 1.00 0.00 O +ATOM 1519 CB LYS A 92 3.839 -15.658 1.210 1.00 0.00 C +ATOM 1520 CG LYS A 92 4.008 -16.716 2.298 1.00 0.00 C +ATOM 1521 CD LYS A 92 3.869 -16.160 3.698 1.00 0.00 C +ATOM 1522 CE LYS A 92 4.026 -17.256 4.745 1.00 0.00 C +ATOM 1523 NZ LYS A 92 3.094 -18.390 4.523 1.00 0.00 N +ATOM 1524 H LYS A 92 3.852 -13.274 2.347 1.00 0.00 H +ATOM 1525 HA LYS A 92 5.873 -15.076 1.488 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 2.918 -15.130 1.412 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 3.747 -16.159 0.257 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 3.266 -17.488 2.156 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 4.990 -17.153 2.188 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 4.646 -15.426 3.849 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 2.900 -15.696 3.806 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 5.040 -17.625 4.715 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 3.832 -16.826 5.716 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 3.316 -18.892 3.641 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 2.105 -18.070 4.469 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 3.152 -19.073 5.304 1.00 0.00 H +ATOM 1537 N ARG A 93 4.868 -13.070 -0.748 1.00 0.00 N +ATOM 1538 CA ARG A 93 5.078 -12.667 -2.121 1.00 0.00 C +ATOM 1539 C ARG A 93 6.535 -12.266 -2.319 1.00 0.00 C +ATOM 1540 O ARG A 93 7.084 -12.382 -3.410 1.00 0.00 O +ATOM 1541 CB ARG A 93 4.202 -11.479 -2.481 1.00 0.00 C +ATOM 1542 CG ARG A 93 4.098 -11.234 -3.978 1.00 0.00 C +ATOM 1543 CD ARG A 93 3.830 -9.788 -4.271 1.00 0.00 C +ATOM 1544 NE ARG A 93 4.992 -8.991 -3.906 1.00 0.00 N +ATOM 1545 CZ ARG A 93 5.138 -7.693 -4.081 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 4.211 -6.988 -4.714 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 6.264 -7.124 -3.688 1.00 0.00 N +ATOM 1548 H ARG A 93 4.449 -12.448 -0.113 1.00 0.00 H +ATOM 1549 HA ARG A 93 4.843 -13.494 -2.770 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 3.211 -11.638 -2.084 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 4.619 -10.593 -2.024 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 5.029 -11.518 -4.448 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 3.294 -11.830 -4.381 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 3.625 -9.670 -5.325 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 2.980 -9.460 -3.691 1.00 0.00 H +ATOM 1556 HE ARG A 93 5.732 -9.506 -3.511 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 3.378 -7.425 -5.090 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 4.281 -6.003 -4.871 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 6.989 -7.683 -3.277 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 6.495 -6.146 -3.769 1.00 0.00 H +ATOM 1561 N ILE A 94 7.145 -11.805 -1.260 1.00 0.00 N +ATOM 1562 CA ILE A 94 8.494 -11.295 -1.325 1.00 0.00 C +ATOM 1563 C ILE A 94 9.492 -12.391 -0.994 1.00 0.00 C +ATOM 1564 O ILE A 94 10.299 -12.788 -1.843 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.668 -10.102 -0.357 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 7.615 -9.034 -0.672 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 10.080 -9.516 -0.474 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 7.575 -7.896 0.310 1.00 0.00 C +ATOM 1569 H ILE A 94 6.687 -11.832 -0.393 1.00 0.00 H +ATOM 1570 HA ILE A 94 8.677 -10.951 -2.332 1.00 0.00 H +ATOM 1571 HB ILE A 94 8.520 -10.451 0.653 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 7.819 -8.615 -1.646 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 6.640 -9.500 -0.687 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 10.808 -10.276 -0.229 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 10.184 -8.683 0.206 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 10.242 -9.174 -1.485 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 6.807 -7.202 0.008 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 8.534 -7.403 0.324 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 7.340 -8.290 1.288 1.00 0.00 H +ATOM 1580 N LEU A 95 9.418 -12.888 0.210 1.00 0.00 N +ATOM 1581 CA LEU A 95 10.311 -13.906 0.666 1.00 0.00 C +ATOM 1582 C LEU A 95 9.624 -14.679 1.762 1.00 0.00 C +ATOM 1583 O LEU A 95 9.635 -14.220 2.925 1.00 0.00 O +ATOM 1584 CB LEU A 95 11.636 -13.286 1.160 1.00 0.00 C +ATOM 1585 CG LEU A 95 12.726 -14.260 1.617 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 13.121 -15.186 0.488 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 13.937 -13.497 2.119 1.00 0.00 C +ATOM 1588 OXT LEU A 95 9.036 -15.741 1.467 1.00 0.00 O +ATOM 1589 H LEU A 95 8.731 -12.588 0.848 1.00 0.00 H +ATOM 1590 HA LEU A 95 10.513 -14.567 -0.164 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 12.042 -12.689 0.358 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 11.416 -12.626 1.985 1.00 0.00 H +ATOM 1593 HG LEU A 95 12.348 -14.865 2.428 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 13.931 -15.821 0.813 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 13.443 -14.598 -0.358 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 12.277 -15.797 0.206 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 14.700 -14.197 2.427 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 13.654 -12.878 2.957 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 14.324 -12.872 1.327 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 7 +ATOM 1 N MET A 1 11.414 15.443 -2.175 1.00 0.00 N +ATOM 2 CA MET A 1 11.627 14.279 -3.021 1.00 0.00 C +ATOM 3 C MET A 1 10.356 13.483 -3.052 1.00 0.00 C +ATOM 4 O MET A 1 9.664 13.390 -2.044 1.00 0.00 O +ATOM 5 CB MET A 1 12.775 13.418 -2.483 1.00 0.00 C +ATOM 6 CG MET A 1 13.137 12.223 -3.356 1.00 0.00 C +ATOM 7 SD MET A 1 13.632 12.710 -5.016 1.00 0.00 S +ATOM 8 CE MET A 1 14.038 11.115 -5.721 1.00 0.00 C +ATOM 9 H MET A 1 11.124 15.131 -1.227 1.00 0.00 H +ATOM 10 HA MET A 1 11.857 14.610 -4.024 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.653 14.035 -2.383 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.482 13.046 -1.513 1.00 0.00 H +ATOM 13 HG2 MET A 1 13.954 11.686 -2.898 1.00 0.00 H +ATOM 14 HG3 MET A 1 12.275 11.575 -3.428 1.00 0.00 H +ATOM 15 HE1 MET A 1 14.357 11.245 -6.744 1.00 0.00 H +ATOM 16 HE2 MET A 1 13.168 10.476 -5.694 1.00 0.00 H +ATOM 17 HE3 MET A 1 14.836 10.661 -5.151 1.00 0.00 H +ATOM 18 N ALA A 2 10.038 12.940 -4.187 1.00 0.00 N +ATOM 19 CA ALA A 2 8.855 12.139 -4.339 1.00 0.00 C +ATOM 20 C ALA A 2 9.222 10.834 -4.978 1.00 0.00 C +ATOM 21 O ALA A 2 10.272 10.719 -5.615 1.00 0.00 O +ATOM 22 CB ALA A 2 7.804 12.859 -5.165 1.00 0.00 C +ATOM 23 H ALA A 2 10.631 13.047 -4.963 1.00 0.00 H +ATOM 24 HA ALA A 2 8.452 11.944 -3.356 1.00 0.00 H +ATOM 25 HB1 ALA A 2 8.188 13.040 -6.157 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.564 13.798 -4.692 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.914 12.250 -5.227 1.00 0.00 H +ATOM 28 N TYR A 3 8.393 9.863 -4.802 1.00 0.00 N +ATOM 29 CA TYR A 3 8.637 8.549 -5.330 1.00 0.00 C +ATOM 30 C TYR A 3 7.564 8.219 -6.342 1.00 0.00 C +ATOM 31 O TYR A 3 6.597 8.976 -6.504 1.00 0.00 O +ATOM 32 CB TYR A 3 8.614 7.496 -4.205 1.00 0.00 C +ATOM 33 CG TYR A 3 9.718 7.594 -3.147 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.964 8.774 -2.452 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.486 6.483 -2.825 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.934 8.848 -1.482 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.455 6.549 -1.842 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.673 7.733 -1.176 1.00 0.00 C +ATOM 39 OH TYR A 3 12.621 7.795 -0.185 1.00 0.00 O +ATOM 40 H TYR A 3 7.560 10.027 -4.311 1.00 0.00 H +ATOM 41 HA TYR A 3 9.607 8.540 -5.803 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.671 7.573 -3.684 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.674 6.519 -4.659 1.00 0.00 H +ATOM 44 HD1 TYR A 3 9.383 9.653 -2.693 1.00 0.00 H +ATOM 45 HD2 TYR A 3 10.315 5.555 -3.349 1.00 0.00 H +ATOM 46 HE1 TYR A 3 11.098 9.780 -0.962 1.00 0.00 H +ATOM 47 HE2 TYR A 3 12.044 5.676 -1.602 1.00 0.00 H +ATOM 48 HH TYR A 3 13.410 7.300 -0.471 1.00 0.00 H +ATOM 49 N PHE A 4 7.737 7.124 -7.021 1.00 0.00 N +ATOM 50 CA PHE A 4 6.743 6.634 -7.941 1.00 0.00 C +ATOM 51 C PHE A 4 5.766 5.773 -7.165 1.00 0.00 C +ATOM 52 O PHE A 4 6.104 5.284 -6.102 1.00 0.00 O +ATOM 53 CB PHE A 4 7.401 5.810 -9.060 1.00 0.00 C +ATOM 54 CG PHE A 4 8.323 6.597 -9.952 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.819 7.349 -11.000 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.694 6.578 -9.746 1.00 0.00 C +ATOM 57 CE1 PHE A 4 8.664 8.066 -11.825 1.00 0.00 C +ATOM 58 CE2 PHE A 4 10.544 7.292 -10.565 1.00 0.00 C +ATOM 59 CZ PHE A 4 10.029 8.039 -11.607 1.00 0.00 C +ATOM 60 H PHE A 4 8.566 6.610 -6.895 1.00 0.00 H +ATOM 61 HA PHE A 4 6.223 7.477 -8.368 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.994 5.033 -8.602 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.641 5.348 -9.672 1.00 0.00 H +ATOM 64 HD1 PHE A 4 6.753 7.374 -11.171 1.00 0.00 H +ATOM 65 HD2 PHE A 4 10.099 5.994 -8.932 1.00 0.00 H +ATOM 66 HE1 PHE A 4 8.260 8.647 -12.641 1.00 0.00 H +ATOM 67 HE2 PHE A 4 11.609 7.269 -10.391 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.690 8.600 -12.249 1.00 0.00 H +ATOM 69 N LEU A 5 4.575 5.610 -7.662 1.00 0.00 N +ATOM 70 CA LEU A 5 3.589 4.771 -7.002 1.00 0.00 C +ATOM 71 C LEU A 5 3.185 3.710 -8.005 1.00 0.00 C +ATOM 72 O LEU A 5 2.856 4.037 -9.148 1.00 0.00 O +ATOM 73 CB LEU A 5 2.367 5.635 -6.560 1.00 0.00 C +ATOM 74 CG LEU A 5 1.345 5.044 -5.532 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.587 3.850 -6.068 1.00 0.00 C +ATOM 76 CD2 LEU A 5 2.023 4.686 -4.221 1.00 0.00 C +ATOM 77 H LEU A 5 4.332 6.051 -8.501 1.00 0.00 H +ATOM 78 HA LEU A 5 4.050 4.307 -6.142 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.746 6.564 -6.162 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.821 5.880 -7.459 1.00 0.00 H +ATOM 81 HG LEU A 5 0.609 5.805 -5.317 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.067 3.470 -5.297 1.00 0.00 H +ATOM 83 HD12 LEU A 5 1.288 3.082 -6.360 1.00 0.00 H +ATOM 84 HD13 LEU A 5 0.000 4.149 -6.923 1.00 0.00 H +ATOM 85 HD21 LEU A 5 1.289 4.278 -3.542 1.00 0.00 H +ATOM 86 HD22 LEU A 5 2.461 5.567 -3.779 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.792 3.948 -4.399 1.00 0.00 H +ATOM 88 N ASP A 6 3.244 2.473 -7.623 1.00 0.00 N +ATOM 89 CA ASP A 6 2.891 1.391 -8.519 1.00 0.00 C +ATOM 90 C ASP A 6 1.991 0.411 -7.796 1.00 0.00 C +ATOM 91 O ASP A 6 2.019 0.333 -6.567 1.00 0.00 O +ATOM 92 CB ASP A 6 4.158 0.690 -9.018 1.00 0.00 C +ATOM 93 CG ASP A 6 3.899 -0.292 -10.130 1.00 0.00 C +ATOM 94 OD1 ASP A 6 3.368 0.125 -11.184 1.00 0.00 O +ATOM 95 OD2 ASP A 6 4.244 -1.473 -9.993 1.00 0.00 O +ATOM 96 H ASP A 6 3.534 2.244 -6.709 1.00 0.00 H +ATOM 97 HA ASP A 6 2.359 1.808 -9.362 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.881 1.417 -9.356 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.556 0.138 -8.182 1.00 0.00 H +ATOM 100 N PHE A 7 1.199 -0.313 -8.533 1.00 0.00 N +ATOM 101 CA PHE A 7 0.265 -1.270 -7.963 1.00 0.00 C +ATOM 102 C PHE A 7 0.551 -2.642 -8.508 1.00 0.00 C +ATOM 103 O PHE A 7 0.750 -2.805 -9.725 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.203 -0.930 -8.309 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.765 0.336 -7.718 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -2.373 0.317 -6.474 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -1.717 1.531 -8.415 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.920 1.465 -5.935 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.266 2.683 -7.886 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.866 2.650 -6.643 1.00 0.00 C +ATOM 111 H PHE A 7 1.277 -0.246 -9.508 1.00 0.00 H +ATOM 112 HA PHE A 7 0.381 -1.271 -6.890 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.307 -0.854 -9.381 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.821 -1.750 -7.975 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -2.413 -0.610 -5.921 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -1.246 1.560 -9.386 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -3.390 1.437 -4.964 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -2.220 3.608 -8.440 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.295 3.549 -6.225 1.00 0.00 H +ATOM 120 N ASP A 8 0.595 -3.623 -7.643 1.00 0.00 N +ATOM 121 CA ASP A 8 0.716 -4.996 -8.091 1.00 0.00 C +ATOM 122 C ASP A 8 -0.598 -5.419 -8.710 1.00 0.00 C +ATOM 123 O ASP A 8 -1.640 -4.892 -8.326 1.00 0.00 O +ATOM 124 CB ASP A 8 1.057 -5.937 -6.947 1.00 0.00 C +ATOM 125 CG ASP A 8 1.175 -7.354 -7.432 1.00 0.00 C +ATOM 126 OD1 ASP A 8 2.150 -7.674 -8.141 1.00 0.00 O +ATOM 127 OD2 ASP A 8 0.276 -8.148 -7.182 1.00 0.00 O +ATOM 128 H ASP A 8 0.564 -3.439 -6.677 1.00 0.00 H +ATOM 129 HA ASP A 8 1.497 -5.026 -8.833 1.00 0.00 H +ATOM 130 HB2 ASP A 8 1.993 -5.639 -6.501 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.272 -5.892 -6.206 1.00 0.00 H +ATOM 132 N GLU A 9 -0.567 -6.352 -9.650 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.778 -6.802 -10.300 1.00 0.00 C +ATOM 134 C GLU A 9 -2.797 -7.368 -9.313 1.00 0.00 C +ATOM 135 O GLU A 9 -3.992 -7.125 -9.458 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.492 -7.724 -11.520 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.622 -8.969 -11.278 1.00 0.00 C +ATOM 138 CD GLU A 9 -1.331 -10.118 -10.584 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -2.555 -10.255 -10.716 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -0.661 -10.948 -9.965 1.00 0.00 O +ATOM 141 H GLU A 9 0.293 -6.752 -9.904 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.227 -5.891 -10.670 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.439 -8.073 -11.902 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -1.021 -7.128 -12.289 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -0.255 -9.326 -12.229 1.00 0.00 H +ATOM 146 HG3 GLU A 9 0.220 -8.673 -10.671 1.00 0.00 H +ATOM 147 N ARG A 10 -2.322 -8.024 -8.254 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.220 -8.585 -7.260 1.00 0.00 C +ATOM 149 C ARG A 10 -3.871 -7.474 -6.485 1.00 0.00 C +ATOM 150 O ARG A 10 -5.094 -7.473 -6.276 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.490 -9.495 -6.289 1.00 0.00 C +ATOM 152 CG ARG A 10 -1.787 -10.651 -6.934 1.00 0.00 C +ATOM 153 CD ARG A 10 -1.128 -11.508 -5.899 1.00 0.00 C +ATOM 154 NE ARG A 10 -0.435 -12.650 -6.486 1.00 0.00 N +ATOM 155 CZ ARG A 10 -0.160 -13.773 -5.817 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -0.648 -13.957 -4.585 1.00 0.00 N +ATOM 157 NH2 ARG A 10 0.563 -14.727 -6.387 1.00 0.00 N +ATOM 158 H ARG A 10 -1.348 -8.129 -8.123 1.00 0.00 H +ATOM 159 HA ARG A 10 -3.979 -9.146 -7.782 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.755 -8.909 -5.758 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.203 -9.884 -5.578 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -2.512 -11.244 -7.470 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -1.040 -10.280 -7.619 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -0.418 -10.907 -5.349 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -1.888 -11.872 -5.224 1.00 0.00 H +ATOM 166 HE ARG A 10 -0.155 -12.505 -7.419 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -1.242 -13.285 -4.113 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -0.442 -14.775 -4.044 1.00 0.00 H +ATOM 169 HH21 ARG A 10 0.930 -14.652 -7.318 1.00 0.00 H +ATOM 170 HH22 ARG A 10 0.774 -15.583 -5.902 1.00 0.00 H +ATOM 171 N ALA A 11 -3.056 -6.514 -6.099 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.498 -5.374 -5.329 1.00 0.00 C +ATOM 173 C ALA A 11 -4.430 -4.507 -6.137 1.00 0.00 C +ATOM 174 O ALA A 11 -5.356 -3.933 -5.604 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.312 -4.555 -4.865 1.00 0.00 C +ATOM 176 H ALA A 11 -2.110 -6.585 -6.348 1.00 0.00 H +ATOM 177 HA ALA A 11 -4.019 -5.739 -4.455 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.785 -4.166 -5.723 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.647 -5.178 -4.285 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -2.664 -3.735 -4.257 1.00 0.00 H +ATOM 181 N LEU A 12 -4.210 -4.464 -7.428 1.00 0.00 N +ATOM 182 CA LEU A 12 -4.986 -3.623 -8.303 1.00 0.00 C +ATOM 183 C LEU A 12 -6.382 -4.202 -8.456 1.00 0.00 C +ATOM 184 O LEU A 12 -7.359 -3.474 -8.539 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.281 -3.483 -9.646 1.00 0.00 C +ATOM 186 CG LEU A 12 -4.765 -2.362 -10.579 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -4.732 -1.007 -9.879 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -3.892 -2.319 -11.819 1.00 0.00 C +ATOM 189 H LEU A 12 -3.487 -5.014 -7.806 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.058 -2.652 -7.835 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -3.219 -3.397 -9.481 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -4.454 -4.415 -10.159 1.00 0.00 H +ATOM 193 HG LEU A 12 -5.779 -2.558 -10.889 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -3.731 -0.803 -9.528 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -5.421 -1.003 -9.048 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -5.024 -0.244 -10.584 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -2.867 -2.135 -11.530 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -4.234 -1.528 -12.468 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -3.956 -3.265 -12.336 1.00 0.00 H +ATOM 200 N LYS A 13 -6.466 -5.517 -8.455 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.750 -6.203 -8.491 1.00 0.00 C +ATOM 202 C LYS A 13 -8.500 -5.928 -7.197 1.00 0.00 C +ATOM 203 O LYS A 13 -9.694 -5.649 -7.204 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.533 -7.693 -8.643 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.822 -8.078 -9.911 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.373 -9.512 -9.848 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.541 -9.888 -11.061 1.00 0.00 C +ATOM 208 NZ LYS A 13 -6.257 -9.720 -12.340 1.00 0.00 N +ATOM 209 H LYS A 13 -5.635 -6.040 -8.439 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.321 -5.831 -9.329 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -6.931 -8.021 -7.810 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.485 -8.199 -8.613 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.492 -7.949 -10.747 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -5.957 -7.442 -10.035 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.754 -9.596 -8.965 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -7.231 -10.162 -9.764 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -4.657 -9.268 -11.080 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -5.245 -10.921 -10.958 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -6.595 -8.748 -12.483 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -7.077 -10.359 -12.397 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -5.621 -9.961 -13.127 1.00 0.00 H +ATOM 222 N GLU A 14 -7.772 -5.972 -6.084 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.338 -5.686 -4.777 1.00 0.00 C +ATOM 224 C GLU A 14 -8.813 -4.237 -4.722 1.00 0.00 C +ATOM 225 O GLU A 14 -9.856 -3.945 -4.177 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.301 -5.944 -3.690 1.00 0.00 C +ATOM 227 CG GLU A 14 -6.798 -7.371 -3.654 1.00 0.00 C +ATOM 228 CD GLU A 14 -7.887 -8.358 -3.354 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -8.340 -8.433 -2.195 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -8.330 -9.074 -4.273 1.00 0.00 O +ATOM 231 H GLU A 14 -6.822 -6.219 -6.138 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.182 -6.343 -4.627 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.459 -5.289 -3.856 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -7.738 -5.714 -2.729 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -6.408 -7.595 -4.637 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.002 -7.476 -2.936 1.00 0.00 H +ATOM 237 N TRP A 15 -8.036 -3.366 -5.324 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.310 -1.938 -5.441 1.00 0.00 C +ATOM 239 C TRP A 15 -9.621 -1.695 -6.214 1.00 0.00 C +ATOM 240 O TRP A 15 -10.417 -0.810 -5.871 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.116 -1.299 -6.170 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.187 0.169 -6.383 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.538 0.815 -7.531 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.868 1.173 -5.431 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.470 2.173 -7.339 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.060 2.415 -6.056 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.446 1.143 -4.101 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.835 3.612 -5.401 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.222 2.331 -3.453 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.419 3.549 -4.099 1.00 0.00 C +ATOM 251 H TRP A 15 -7.189 -3.694 -5.700 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.384 -1.513 -4.450 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.219 -1.493 -5.602 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.021 -1.775 -7.136 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -7.825 0.304 -8.440 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.677 2.865 -8.007 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.290 0.206 -3.587 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.985 4.560 -5.895 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.893 2.331 -2.425 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.230 4.455 -3.543 1.00 0.00 H +ATOM 261 N ARG A 16 -9.837 -2.482 -7.244 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.047 -2.401 -8.050 1.00 0.00 C +ATOM 263 C ARG A 16 -12.230 -3.004 -7.295 1.00 0.00 C +ATOM 264 O ARG A 16 -13.363 -2.534 -7.419 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.833 -3.101 -9.386 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.743 -2.464 -10.230 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.446 -3.285 -11.461 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.363 -2.703 -12.258 1.00 0.00 N +ATOM 269 CZ ARG A 16 -7.512 -3.398 -13.021 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -7.565 -4.729 -13.044 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -6.590 -2.761 -13.738 1.00 0.00 N +ATOM 272 H ARG A 16 -9.140 -3.136 -7.476 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.250 -1.355 -8.227 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.555 -4.128 -9.196 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.754 -3.082 -9.950 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.056 -1.475 -10.530 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.845 -2.386 -9.634 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.148 -4.270 -11.140 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -10.337 -3.353 -12.068 1.00 0.00 H +ATOM 280 HE ARG A 16 -8.297 -1.720 -12.206 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.236 -5.250 -12.510 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -6.924 -5.291 -13.575 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -6.487 -1.761 -13.740 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -5.944 -3.240 -14.339 1.00 0.00 H +ATOM 285 N LYS A 17 -11.933 -4.013 -6.494 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.907 -4.705 -5.656 1.00 0.00 C +ATOM 287 C LYS A 17 -13.328 -3.827 -4.469 1.00 0.00 C +ATOM 288 O LYS A 17 -14.438 -3.955 -3.944 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.289 -6.071 -5.212 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.089 -6.937 -4.210 1.00 0.00 C +ATOM 291 CD LYS A 17 -12.843 -6.550 -2.745 1.00 0.00 C +ATOM 292 CE LYS A 17 -11.390 -6.799 -2.315 1.00 0.00 C +ATOM 293 NZ LYS A 17 -11.014 -8.228 -2.399 1.00 0.00 N +ATOM 294 H LYS A 17 -11.005 -4.335 -6.490 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.779 -4.902 -6.261 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -12.136 -6.667 -6.098 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.318 -5.861 -4.790 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -14.139 -6.811 -4.418 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -12.826 -7.974 -4.351 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -13.070 -5.502 -2.619 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -13.501 -7.136 -2.119 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -10.722 -6.220 -2.933 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -11.284 -6.471 -1.291 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -11.533 -8.783 -1.689 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -9.996 -8.364 -2.206 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -11.225 -8.634 -3.333 1.00 0.00 H +ATOM 307 N LEU A 18 -12.436 -2.959 -4.056 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.668 -2.039 -2.962 1.00 0.00 C +ATOM 309 C LEU A 18 -13.778 -1.062 -3.267 1.00 0.00 C +ATOM 310 O LEU A 18 -14.048 -0.734 -4.440 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.396 -1.262 -2.628 1.00 0.00 C +ATOM 312 CG LEU A 18 -10.765 -1.539 -1.268 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.395 -3.005 -1.110 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.553 -0.659 -1.080 1.00 0.00 C +ATOM 315 H LEU A 18 -11.564 -2.951 -4.506 1.00 0.00 H +ATOM 316 HA LEU A 18 -12.944 -2.616 -2.093 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.660 -1.465 -3.390 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.639 -0.210 -2.673 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.475 -1.287 -0.496 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -9.950 -3.161 -0.140 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -9.693 -3.286 -1.880 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -11.284 -3.612 -1.197 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.854 0.377 -1.136 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -8.829 -0.869 -1.854 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.114 -0.852 -0.111 1.00 0.00 H +ATOM 326 N GLY A 19 -14.410 -0.606 -2.216 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.447 0.364 -2.326 1.00 0.00 C +ATOM 328 C GLY A 19 -14.890 1.683 -2.754 1.00 0.00 C +ATOM 329 O GLY A 19 -13.774 2.045 -2.344 1.00 0.00 O +ATOM 330 H GLY A 19 -14.160 -0.941 -1.330 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.181 0.032 -3.045 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -15.914 0.485 -1.362 1.00 0.00 H +ATOM 333 N SER A 20 -15.644 2.383 -3.569 1.00 0.00 N +ATOM 334 CA SER A 20 -15.265 3.649 -4.153 1.00 0.00 C +ATOM 335 C SER A 20 -14.720 4.636 -3.109 1.00 0.00 C +ATOM 336 O SER A 20 -13.588 5.078 -3.211 1.00 0.00 O +ATOM 337 CB SER A 20 -16.485 4.226 -4.835 1.00 0.00 C +ATOM 338 OG SER A 20 -17.108 3.233 -5.643 1.00 0.00 O +ATOM 339 H SER A 20 -16.525 2.040 -3.833 1.00 0.00 H +ATOM 340 HA SER A 20 -14.514 3.469 -4.907 1.00 0.00 H +ATOM 341 HB2 SER A 20 -17.186 4.565 -4.086 1.00 0.00 H +ATOM 342 HB3 SER A 20 -16.192 5.054 -5.462 1.00 0.00 H +ATOM 343 HG SER A 20 -17.992 3.557 -5.859 1.00 0.00 H +ATOM 344 N THR A 21 -15.490 4.879 -2.077 1.00 0.00 N +ATOM 345 CA THR A 21 -15.151 5.847 -1.053 1.00 0.00 C +ATOM 346 C THR A 21 -13.885 5.411 -0.288 1.00 0.00 C +ATOM 347 O THR A 21 -13.039 6.240 0.071 1.00 0.00 O +ATOM 348 CB THR A 21 -16.339 5.999 -0.081 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.548 6.210 -0.844 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.136 7.177 0.863 1.00 0.00 C +ATOM 351 H THR A 21 -16.317 4.366 -1.968 1.00 0.00 H +ATOM 352 HA THR A 21 -14.972 6.798 -1.533 1.00 0.00 H +ATOM 353 HB THR A 21 -16.431 5.089 0.492 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.366 6.897 -1.497 1.00 0.00 H +ATOM 355 HG21 THR A 21 -15.235 7.031 1.441 1.00 0.00 H +ATOM 356 HG22 THR A 21 -16.983 7.256 1.527 1.00 0.00 H +ATOM 357 HG23 THR A 21 -16.048 8.087 0.288 1.00 0.00 H +ATOM 358 N VAL A 22 -13.734 4.110 -0.109 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.603 3.568 0.609 1.00 0.00 C +ATOM 360 C VAL A 22 -11.325 3.748 -0.203 1.00 0.00 C +ATOM 361 O VAL A 22 -10.327 4.268 0.296 1.00 0.00 O +ATOM 362 CB VAL A 22 -12.810 2.056 0.933 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -11.571 1.453 1.570 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.004 1.869 1.855 1.00 0.00 C +ATOM 365 H VAL A 22 -14.401 3.501 -0.494 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.508 4.109 1.540 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.010 1.533 0.009 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -11.352 1.970 2.493 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -10.733 1.551 0.896 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -11.744 0.407 1.779 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.890 2.270 1.387 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -13.824 2.385 2.787 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.144 0.816 2.053 1.00 0.00 H +ATOM 374 N ARG A 23 -11.382 3.386 -1.461 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.224 3.506 -2.315 1.00 0.00 C +ATOM 376 C ARG A 23 -9.855 4.956 -2.599 1.00 0.00 C +ATOM 377 O ARG A 23 -8.681 5.270 -2.713 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.345 2.709 -3.597 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.587 2.984 -4.392 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.420 2.490 -5.790 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.674 2.557 -6.543 1.00 0.00 N +ATOM 382 CZ ARG A 23 -13.257 1.507 -7.134 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.694 0.304 -7.081 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -14.408 1.660 -7.758 1.00 0.00 N +ATOM 385 H ARG A 23 -12.228 3.029 -1.814 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.406 3.098 -1.739 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.488 2.910 -4.222 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.348 1.660 -3.333 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.385 2.422 -3.927 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.852 4.032 -4.371 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.672 3.130 -6.239 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -11.055 1.475 -5.764 1.00 0.00 H +ATOM 393 HE ARG A 23 -13.095 3.448 -6.588 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -11.825 0.123 -6.606 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -13.120 -0.498 -7.513 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -14.883 2.542 -7.809 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -14.870 0.895 -8.217 1.00 0.00 H +ATOM 398 N GLU A 24 -10.853 5.829 -2.725 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.595 7.245 -2.960 1.00 0.00 C +ATOM 400 C GLU A 24 -9.746 7.830 -1.858 1.00 0.00 C +ATOM 401 O GLU A 24 -8.720 8.445 -2.132 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.882 8.035 -3.106 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.670 7.683 -4.339 1.00 0.00 C +ATOM 404 CD GLU A 24 -13.915 8.491 -4.464 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -14.845 8.320 -3.654 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -14.007 9.304 -5.396 1.00 0.00 O +ATOM 407 H GLU A 24 -11.783 5.514 -2.671 1.00 0.00 H +ATOM 408 HA GLU A 24 -10.035 7.316 -3.881 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.504 7.817 -2.249 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.658 9.092 -3.128 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -12.054 7.858 -5.208 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.936 6.637 -4.294 1.00 0.00 H +ATOM 413 N GLN A 25 -10.143 7.596 -0.613 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.380 8.094 0.532 1.00 0.00 C +ATOM 415 C GLN A 25 -7.987 7.479 0.591 1.00 0.00 C +ATOM 416 O GLN A 25 -7.022 8.152 0.960 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.136 7.911 1.854 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.028 9.096 2.255 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.019 9.526 1.185 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -11.723 10.382 0.352 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.179 8.957 1.195 1.00 0.00 N +ATOM 422 H GLN A 25 -10.959 7.069 -0.463 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.245 9.152 0.357 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.764 7.037 1.767 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.414 7.746 2.641 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.589 8.822 3.136 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -10.388 9.934 2.491 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.363 8.281 1.881 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -13.821 9.218 0.499 1.00 0.00 H +ATOM 430 N LEU A 26 -7.881 6.223 0.200 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.594 5.555 0.151 1.00 0.00 C +ATOM 432 C LEU A 26 -5.700 6.170 -0.920 1.00 0.00 C +ATOM 433 O LEU A 26 -4.532 6.430 -0.670 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.752 4.054 -0.076 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.436 3.264 1.054 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.548 1.804 0.686 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.678 3.420 2.367 1.00 0.00 C +ATOM 438 H LEU A 26 -8.693 5.730 -0.052 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.120 5.714 1.107 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.325 3.933 -0.984 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.770 3.636 -0.239 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.441 3.633 1.193 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.132 1.703 -0.217 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.032 1.269 1.490 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -6.561 1.399 0.524 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -5.658 3.091 2.233 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -7.150 2.808 3.122 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -6.691 4.451 2.685 1.00 0.00 H +ATOM 449 N LYS A 27 -6.251 6.417 -2.101 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.494 7.047 -3.180 1.00 0.00 C +ATOM 451 C LYS A 27 -5.053 8.459 -2.785 1.00 0.00 C +ATOM 452 O LYS A 27 -3.922 8.870 -3.065 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.312 7.127 -4.449 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.529 7.699 -5.616 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.396 7.930 -6.827 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.372 9.065 -6.589 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.268 9.254 -7.729 1.00 0.00 N +ATOM 458 H LYS A 27 -7.182 6.135 -2.267 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.616 6.445 -3.364 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.652 6.135 -4.704 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.170 7.750 -4.253 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.128 8.647 -5.285 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -4.720 7.027 -5.863 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -5.766 8.177 -7.668 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -6.949 7.026 -7.038 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -7.964 8.860 -5.711 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.800 9.969 -6.434 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -7.734 9.454 -8.598 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -8.889 10.070 -7.560 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -8.860 8.414 -7.886 1.00 0.00 H +ATOM 471 N LYS A 28 -5.953 9.194 -2.150 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.650 10.537 -1.645 1.00 0.00 C +ATOM 473 C LYS A 28 -4.502 10.475 -0.645 1.00 0.00 C +ATOM 474 O LYS A 28 -3.653 11.375 -0.591 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.879 11.170 -1.000 1.00 0.00 C +ATOM 476 CG LYS A 28 -8.016 11.418 -1.964 1.00 0.00 C +ATOM 477 CD LYS A 28 -9.251 11.900 -1.241 1.00 0.00 C +ATOM 478 CE LYS A 28 -10.416 12.058 -2.196 1.00 0.00 C +ATOM 479 NZ LYS A 28 -11.665 12.419 -1.489 1.00 0.00 N +ATOM 480 H LYS A 28 -6.855 8.818 -2.044 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.346 11.133 -2.493 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -7.236 10.524 -0.213 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.589 12.119 -0.572 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.712 12.172 -2.674 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -8.245 10.500 -2.485 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.519 11.184 -0.478 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -9.037 12.854 -0.783 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -10.174 12.839 -2.902 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.562 11.128 -2.726 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -11.556 13.330 -0.999 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -11.889 11.692 -0.774 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -12.450 12.493 -2.166 1.00 0.00 H +ATOM 493 N LYS A 29 -4.468 9.402 0.121 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.398 9.167 1.052 1.00 0.00 C +ATOM 495 C LYS A 29 -2.110 8.818 0.329 1.00 0.00 C +ATOM 496 O LYS A 29 -1.039 9.207 0.753 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.752 8.085 2.059 1.00 0.00 C +ATOM 498 CG LYS A 29 -3.822 8.592 3.491 1.00 0.00 C +ATOM 499 CD LYS A 29 -4.970 9.561 3.692 1.00 0.00 C +ATOM 500 CE LYS A 29 -4.965 10.134 5.096 1.00 0.00 C +ATOM 501 NZ LYS A 29 -3.791 11.011 5.343 1.00 0.00 N +ATOM 502 H LYS A 29 -5.205 8.754 0.060 1.00 0.00 H +ATOM 503 HA LYS A 29 -3.232 10.088 1.587 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.714 7.668 1.798 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -3.003 7.310 2.003 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -3.959 7.753 4.158 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -2.895 9.092 3.731 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -4.881 10.373 2.985 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -5.901 9.041 3.526 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -5.877 10.684 5.271 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -4.909 9.286 5.765 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -2.904 10.473 5.400 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -3.900 11.564 6.216 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -3.682 11.698 4.561 1.00 0.00 H +ATOM 515 N LEU A 30 -2.224 8.099 -0.764 1.00 0.00 N +ATOM 516 CA LEU A 30 -1.072 7.731 -1.563 1.00 0.00 C +ATOM 517 C LEU A 30 -0.440 8.956 -2.198 1.00 0.00 C +ATOM 518 O LEU A 30 0.771 9.141 -2.135 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.444 6.717 -2.647 1.00 0.00 C +ATOM 520 CG LEU A 30 -2.003 5.384 -2.160 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.317 4.481 -3.335 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.031 4.714 -1.206 1.00 0.00 C +ATOM 523 H LEU A 30 -3.113 7.775 -1.029 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.354 7.275 -0.899 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.179 7.175 -3.293 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.561 6.516 -3.233 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.929 5.564 -1.632 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -3.036 4.962 -3.981 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -2.729 3.549 -2.975 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -1.411 4.286 -3.888 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -1.430 3.764 -0.886 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -0.902 5.355 -0.346 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.079 4.568 -1.693 1.00 0.00 H +ATOM 534 N VAL A 31 -1.265 9.809 -2.775 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.769 10.995 -3.445 1.00 0.00 C +ATOM 536 C VAL A 31 -0.089 11.969 -2.445 1.00 0.00 C +ATOM 537 O VAL A 31 0.939 12.589 -2.769 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.870 11.691 -4.324 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -2.991 12.281 -3.503 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -1.279 12.730 -5.253 1.00 0.00 C +ATOM 541 H VAL A 31 -2.230 9.615 -2.752 1.00 0.00 H +ATOM 542 HA VAL A 31 0.017 10.639 -4.097 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.310 10.917 -4.934 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -3.742 12.709 -4.152 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -2.588 13.047 -2.859 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -3.430 11.501 -2.899 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -0.799 13.508 -4.678 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -2.076 13.150 -5.850 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -0.558 12.256 -5.902 1.00 0.00 H +ATOM 550 N GLU A 32 -0.649 12.106 -1.235 1.00 0.00 N +ATOM 551 CA GLU A 32 0.002 12.908 -0.204 1.00 0.00 C +ATOM 552 C GLU A 32 1.280 12.215 0.304 1.00 0.00 C +ATOM 553 O GLU A 32 2.329 12.845 0.435 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.940 13.274 0.979 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.470 12.085 1.743 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.263 12.433 2.976 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -1.672 12.579 4.052 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -3.503 12.501 2.915 1.00 0.00 O +ATOM 559 H GLU A 32 -1.507 11.669 -1.041 1.00 0.00 H +ATOM 560 HA GLU A 32 0.319 13.816 -0.695 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.409 13.907 1.673 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.784 13.820 0.583 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -2.108 11.540 1.065 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.634 11.458 2.022 1.00 0.00 H +ATOM 565 N VAL A 33 1.193 10.902 0.530 1.00 0.00 N +ATOM 566 CA VAL A 33 2.280 10.132 1.123 1.00 0.00 C +ATOM 567 C VAL A 33 3.527 10.131 0.247 1.00 0.00 C +ATOM 568 O VAL A 33 4.597 10.060 0.744 1.00 0.00 O +ATOM 569 CB VAL A 33 1.876 8.674 1.542 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.024 7.653 0.416 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.618 8.243 2.798 1.00 0.00 C +ATOM 572 H VAL A 33 0.361 10.427 0.309 1.00 0.00 H +ATOM 573 HA VAL A 33 2.547 10.677 2.016 1.00 0.00 H +ATOM 574 HB VAL A 33 0.823 8.708 1.783 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.444 7.975 -0.435 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.674 6.688 0.749 1.00 0.00 H +ATOM 577 HG13 VAL A 33 3.065 7.576 0.133 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.388 7.214 3.027 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.309 8.868 3.623 1.00 0.00 H +ATOM 580 HG23 VAL A 33 3.680 8.357 2.650 1.00 0.00 H +ATOM 581 N LEU A 34 3.357 10.225 -1.063 1.00 0.00 N +ATOM 582 CA LEU A 34 4.482 10.200 -2.021 1.00 0.00 C +ATOM 583 C LEU A 34 5.569 11.236 -1.739 1.00 0.00 C +ATOM 584 O LEU A 34 6.719 11.034 -2.139 1.00 0.00 O +ATOM 585 CB LEU A 34 3.999 10.335 -3.465 1.00 0.00 C +ATOM 586 CG LEU A 34 3.253 9.138 -4.041 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.770 9.446 -5.451 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.157 7.909 -4.043 1.00 0.00 C +ATOM 589 H LEU A 34 2.437 10.281 -1.400 1.00 0.00 H +ATOM 590 HA LEU A 34 4.956 9.236 -1.922 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.347 11.194 -3.518 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.860 10.526 -4.089 1.00 0.00 H +ATOM 593 HG LEU A 34 2.390 8.925 -3.427 1.00 0.00 H +ATOM 594 HD11 LEU A 34 3.618 9.644 -6.091 1.00 0.00 H +ATOM 595 HD12 LEU A 34 2.131 10.316 -5.428 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.212 8.606 -5.836 1.00 0.00 H +ATOM 597 HD21 LEU A 34 3.635 7.073 -4.480 1.00 0.00 H +ATOM 598 HD22 LEU A 34 4.433 7.652 -3.031 1.00 0.00 H +ATOM 599 HD23 LEU A 34 5.047 8.115 -4.619 1.00 0.00 H +ATOM 600 N GLU A 35 5.232 12.330 -1.077 1.00 0.00 N +ATOM 601 CA GLU A 35 6.241 13.329 -0.784 1.00 0.00 C +ATOM 602 C GLU A 35 7.039 12.989 0.496 1.00 0.00 C +ATOM 603 O GLU A 35 8.070 13.617 0.790 1.00 0.00 O +ATOM 604 CB GLU A 35 5.647 14.753 -0.822 1.00 0.00 C +ATOM 605 CG GLU A 35 4.492 15.030 0.126 1.00 0.00 C +ATOM 606 CD GLU A 35 4.928 15.487 1.483 1.00 0.00 C +ATOM 607 OE1 GLU A 35 5.260 16.670 1.629 1.00 0.00 O +ATOM 608 OE2 GLU A 35 4.909 14.700 2.422 1.00 0.00 O +ATOM 609 H GLU A 35 4.310 12.455 -0.759 1.00 0.00 H +ATOM 610 HA GLU A 35 6.953 13.233 -1.592 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.431 15.455 -0.580 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.311 14.953 -1.830 1.00 0.00 H +ATOM 613 HG2 GLU A 35 3.843 15.780 -0.296 1.00 0.00 H +ATOM 614 HG3 GLU A 35 3.939 14.108 0.256 1.00 0.00 H +ATOM 615 N SER A 36 6.577 11.966 1.211 1.00 0.00 N +ATOM 616 CA SER A 36 7.240 11.433 2.400 1.00 0.00 C +ATOM 617 C SER A 36 6.767 9.979 2.684 1.00 0.00 C +ATOM 618 O SER A 36 6.183 9.703 3.703 1.00 0.00 O +ATOM 619 CB SER A 36 6.999 12.357 3.614 1.00 0.00 C +ATOM 620 OG SER A 36 5.611 12.636 3.788 1.00 0.00 O +ATOM 621 H SER A 36 5.745 11.519 0.941 1.00 0.00 H +ATOM 622 HA SER A 36 8.297 11.379 2.195 1.00 0.00 H +ATOM 623 HB2 SER A 36 7.368 11.876 4.508 1.00 0.00 H +ATOM 624 HB3 SER A 36 7.524 13.289 3.464 1.00 0.00 H +ATOM 625 HG SER A 36 5.414 13.389 3.203 1.00 0.00 H +ATOM 626 N PRO A 37 7.014 9.010 1.758 1.00 0.00 N +ATOM 627 CA PRO A 37 6.460 7.655 1.889 1.00 0.00 C +ATOM 628 C PRO A 37 7.157 6.809 2.936 1.00 0.00 C +ATOM 629 O PRO A 37 6.595 5.839 3.443 1.00 0.00 O +ATOM 630 CB PRO A 37 6.648 7.061 0.502 1.00 0.00 C +ATOM 631 CG PRO A 37 7.835 7.764 -0.040 1.00 0.00 C +ATOM 632 CD PRO A 37 7.795 9.164 0.518 1.00 0.00 C +ATOM 633 HA PRO A 37 5.407 7.686 2.121 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.819 5.997 0.586 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.771 7.245 -0.100 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.735 7.258 0.280 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.787 7.789 -1.118 1.00 0.00 H +ATOM 638 HD2 PRO A 37 8.791 9.523 0.728 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.286 9.827 -0.168 1.00 0.00 H +ATOM 640 N ARG A 38 8.358 7.182 3.278 1.00 0.00 N +ATOM 641 CA ARG A 38 9.128 6.438 4.230 1.00 0.00 C +ATOM 642 C ARG A 38 8.908 6.898 5.681 1.00 0.00 C +ATOM 643 O ARG A 38 9.837 7.209 6.413 1.00 0.00 O +ATOM 644 CB ARG A 38 10.611 6.293 3.787 1.00 0.00 C +ATOM 645 CG ARG A 38 11.255 7.544 3.157 1.00 0.00 C +ATOM 646 CD ARG A 38 11.546 8.640 4.157 1.00 0.00 C +ATOM 647 NE ARG A 38 12.514 8.216 5.168 1.00 0.00 N +ATOM 648 CZ ARG A 38 12.917 8.953 6.201 1.00 0.00 C +ATOM 649 NH1 ARG A 38 12.475 10.201 6.352 1.00 0.00 N +ATOM 650 NH2 ARG A 38 13.762 8.445 7.070 1.00 0.00 N +ATOM 651 H ARG A 38 8.715 8.004 2.880 1.00 0.00 H +ATOM 652 HA ARG A 38 8.682 5.454 4.195 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.195 6.028 4.656 1.00 0.00 H +ATOM 654 HB3 ARG A 38 10.677 5.483 3.074 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.174 7.259 2.670 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.579 7.925 2.405 1.00 0.00 H +ATOM 657 HD2 ARG A 38 11.942 9.498 3.634 1.00 0.00 H +ATOM 658 HD3 ARG A 38 10.622 8.907 4.651 1.00 0.00 H +ATOM 659 HE ARG A 38 12.874 7.305 5.058 1.00 0.00 H +ATOM 660 HH11 ARG A 38 11.838 10.613 5.696 1.00 0.00 H +ATOM 661 HH12 ARG A 38 12.765 10.781 7.119 1.00 0.00 H +ATOM 662 HH21 ARG A 38 14.122 7.513 6.978 1.00 0.00 H +ATOM 663 HH22 ARG A 38 14.099 8.954 7.866 1.00 0.00 H +ATOM 664 N ILE A 39 7.646 6.901 6.074 1.00 0.00 N +ATOM 665 CA ILE A 39 7.217 7.270 7.416 1.00 0.00 C +ATOM 666 C ILE A 39 7.362 6.057 8.327 1.00 0.00 C +ATOM 667 O ILE A 39 6.614 5.083 8.190 1.00 0.00 O +ATOM 668 CB ILE A 39 5.732 7.754 7.403 1.00 0.00 C +ATOM 669 CG1 ILE A 39 5.610 8.999 6.532 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.222 8.040 8.815 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.195 9.475 6.284 1.00 0.00 C +ATOM 672 H ILE A 39 6.970 6.621 5.419 1.00 0.00 H +ATOM 673 HA ILE A 39 7.850 8.073 7.761 1.00 0.00 H +ATOM 674 HB ILE A 39 5.123 6.973 6.973 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.145 9.808 7.007 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.067 8.796 5.574 1.00 0.00 H +ATOM 677 HG21 ILE A 39 5.318 7.151 9.420 1.00 0.00 H +ATOM 678 HG22 ILE A 39 4.184 8.332 8.765 1.00 0.00 H +ATOM 679 HG23 ILE A 39 5.799 8.843 9.247 1.00 0.00 H +ATOM 680 HD11 ILE A 39 3.723 9.757 7.214 1.00 0.00 H +ATOM 681 HD12 ILE A 39 3.632 8.686 5.810 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.237 10.326 5.620 1.00 0.00 H +ATOM 683 N GLU A 40 8.305 6.117 9.251 1.00 0.00 N +ATOM 684 CA GLU A 40 8.619 4.979 10.116 1.00 0.00 C +ATOM 685 C GLU A 40 7.431 4.546 10.981 1.00 0.00 C +ATOM 686 O GLU A 40 7.323 3.376 11.341 1.00 0.00 O +ATOM 687 CB GLU A 40 9.865 5.237 10.971 1.00 0.00 C +ATOM 688 CG GLU A 40 9.747 6.413 11.910 1.00 0.00 C +ATOM 689 CD GLU A 40 10.965 6.605 12.755 1.00 0.00 C +ATOM 690 OE1 GLU A 40 11.897 7.324 12.317 1.00 0.00 O +ATOM 691 OE2 GLU A 40 11.019 6.061 13.880 1.00 0.00 O +ATOM 692 H GLU A 40 8.802 6.959 9.358 1.00 0.00 H +ATOM 693 HA GLU A 40 8.835 4.157 9.449 1.00 0.00 H +ATOM 694 HB2 GLU A 40 10.073 4.357 11.562 1.00 0.00 H +ATOM 695 HB3 GLU A 40 10.701 5.412 10.310 1.00 0.00 H +ATOM 696 HG2 GLU A 40 9.591 7.309 11.327 1.00 0.00 H +ATOM 697 HG3 GLU A 40 8.897 6.249 12.555 1.00 0.00 H +ATOM 698 N ALA A 41 6.535 5.476 11.286 1.00 0.00 N +ATOM 699 CA ALA A 41 5.340 5.171 12.070 1.00 0.00 C +ATOM 700 C ALA A 41 4.412 4.216 11.311 1.00 0.00 C +ATOM 701 O ALA A 41 3.699 3.412 11.911 1.00 0.00 O +ATOM 702 CB ALA A 41 4.594 6.451 12.426 1.00 0.00 C +ATOM 703 H ALA A 41 6.704 6.401 10.999 1.00 0.00 H +ATOM 704 HA ALA A 41 5.657 4.694 12.985 1.00 0.00 H +ATOM 705 HB1 ALA A 41 3.748 6.209 13.051 1.00 0.00 H +ATOM 706 HB2 ALA A 41 4.245 6.928 11.522 1.00 0.00 H +ATOM 707 HB3 ALA A 41 5.254 7.122 12.955 1.00 0.00 H +ATOM 708 N ASN A 42 4.474 4.266 9.991 1.00 0.00 N +ATOM 709 CA ASN A 42 3.604 3.444 9.150 1.00 0.00 C +ATOM 710 C ASN A 42 4.248 2.122 8.790 1.00 0.00 C +ATOM 711 O ASN A 42 3.637 1.304 8.115 1.00 0.00 O +ATOM 712 CB ASN A 42 3.172 4.176 7.867 1.00 0.00 C +ATOM 713 CG ASN A 42 2.207 5.326 8.107 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.420 5.325 9.061 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.231 6.299 7.231 1.00 0.00 N +ATOM 716 H ASN A 42 5.134 4.850 9.560 1.00 0.00 H +ATOM 717 HA ASN A 42 2.719 3.233 9.733 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.049 4.575 7.381 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.699 3.464 7.206 1.00 0.00 H +ATOM 720 HD21 ASN A 42 2.858 6.236 6.481 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.612 7.053 7.343 1.00 0.00 H +ATOM 722 N LYS A 43 5.474 1.911 9.242 1.00 0.00 N +ATOM 723 CA LYS A 43 6.193 0.666 8.974 1.00 0.00 C +ATOM 724 C LYS A 43 5.515 -0.529 9.570 1.00 0.00 C +ATOM 725 O LYS A 43 4.872 -0.444 10.623 1.00 0.00 O +ATOM 726 CB LYS A 43 7.615 0.691 9.507 1.00 0.00 C +ATOM 727 CG LYS A 43 8.628 1.382 8.640 1.00 0.00 C +ATOM 728 CD LYS A 43 10.041 1.348 9.246 1.00 0.00 C +ATOM 729 CE LYS A 43 10.701 -0.059 9.294 1.00 0.00 C +ATOM 730 NZ LYS A 43 10.027 -1.048 10.201 1.00 0.00 N +ATOM 731 H LYS A 43 5.895 2.605 9.792 1.00 0.00 H +ATOM 732 HA LYS A 43 6.245 0.538 7.903 1.00 0.00 H +ATOM 733 HB2 LYS A 43 7.610 1.197 10.461 1.00 0.00 H +ATOM 734 HB3 LYS A 43 7.931 -0.329 9.661 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.653 0.883 7.683 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.327 2.409 8.498 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.669 1.971 8.629 1.00 0.00 H +ATOM 738 HD3 LYS A 43 9.996 1.754 10.245 1.00 0.00 H +ATOM 739 HE2 LYS A 43 10.704 -0.465 8.295 1.00 0.00 H +ATOM 740 HE3 LYS A 43 11.725 0.064 9.614 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 9.814 -0.650 11.136 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 10.685 -1.836 10.370 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 9.173 -1.474 9.790 1.00 0.00 H +ATOM 744 N LEU A 44 5.630 -1.627 8.890 1.00 0.00 N +ATOM 745 CA LEU A 44 5.182 -2.873 9.413 1.00 0.00 C +ATOM 746 C LEU A 44 6.237 -3.439 10.343 1.00 0.00 C +ATOM 747 O LEU A 44 7.356 -2.902 10.433 1.00 0.00 O +ATOM 748 CB LEU A 44 4.801 -3.848 8.299 1.00 0.00 C +ATOM 749 CG LEU A 44 3.544 -3.473 7.513 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.234 -4.499 6.464 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.363 -3.339 8.440 1.00 0.00 C +ATOM 752 H LEU A 44 6.037 -1.593 7.996 1.00 0.00 H +ATOM 753 HA LEU A 44 4.310 -2.667 10.017 1.00 0.00 H +ATOM 754 HB2 LEU A 44 5.628 -3.894 7.606 1.00 0.00 H +ATOM 755 HB3 LEU A 44 4.656 -4.827 8.727 1.00 0.00 H +ATOM 756 HG LEU A 44 3.692 -2.521 7.027 1.00 0.00 H +ATOM 757 HD11 LEU A 44 2.336 -4.185 5.953 1.00 0.00 H +ATOM 758 HD12 LEU A 44 3.062 -5.449 6.946 1.00 0.00 H +ATOM 759 HD13 LEU A 44 4.050 -4.570 5.762 1.00 0.00 H +ATOM 760 HD21 LEU A 44 1.481 -3.147 7.848 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.528 -2.509 9.110 1.00 0.00 H +ATOM 762 HD23 LEU A 44 2.234 -4.253 9.001 1.00 0.00 H +ATOM 763 N ARG A 45 5.906 -4.508 11.005 1.00 0.00 N +ATOM 764 CA ARG A 45 6.740 -5.055 12.030 1.00 0.00 C +ATOM 765 C ARG A 45 7.794 -5.993 11.443 1.00 0.00 C +ATOM 766 O ARG A 45 8.990 -5.798 11.653 1.00 0.00 O +ATOM 767 CB ARG A 45 5.867 -5.790 13.047 1.00 0.00 C +ATOM 768 CG ARG A 45 4.704 -4.951 13.587 1.00 0.00 C +ATOM 769 CD ARG A 45 5.172 -3.733 14.375 1.00 0.00 C +ATOM 770 NE ARG A 45 5.814 -4.102 15.639 1.00 0.00 N +ATOM 771 CZ ARG A 45 6.666 -3.323 16.329 1.00 0.00 C +ATOM 772 NH1 ARG A 45 7.052 -2.143 15.847 1.00 0.00 N +ATOM 773 NH2 ARG A 45 7.116 -3.726 17.500 1.00 0.00 N +ATOM 774 H ARG A 45 5.073 -4.982 10.797 1.00 0.00 H +ATOM 775 HA ARG A 45 7.237 -4.241 12.535 1.00 0.00 H +ATOM 776 HB2 ARG A 45 5.464 -6.679 12.584 1.00 0.00 H +ATOM 777 HB3 ARG A 45 6.488 -6.079 13.877 1.00 0.00 H +ATOM 778 HG2 ARG A 45 4.108 -4.610 12.753 1.00 0.00 H +ATOM 779 HG3 ARG A 45 4.098 -5.576 14.225 1.00 0.00 H +ATOM 780 HD2 ARG A 45 5.873 -3.172 13.778 1.00 0.00 H +ATOM 781 HD3 ARG A 45 4.316 -3.112 14.594 1.00 0.00 H +ATOM 782 HE ARG A 45 5.548 -4.981 15.994 1.00 0.00 H +ATOM 783 HH11 ARG A 45 6.716 -1.798 14.967 1.00 0.00 H +ATOM 784 HH12 ARG A 45 7.699 -1.552 16.335 1.00 0.00 H +ATOM 785 HH21 ARG A 45 6.829 -4.604 17.890 1.00 0.00 H +ATOM 786 HH22 ARG A 45 7.768 -3.185 18.038 1.00 0.00 H +ATOM 787 N GLY A 46 7.362 -6.981 10.696 1.00 0.00 N +ATOM 788 CA GLY A 46 8.296 -7.948 10.150 1.00 0.00 C +ATOM 789 C GLY A 46 8.148 -8.107 8.666 1.00 0.00 C +ATOM 790 O GLY A 46 7.981 -9.220 8.165 1.00 0.00 O +ATOM 791 H GLY A 46 6.403 -7.067 10.508 1.00 0.00 H +ATOM 792 HA2 GLY A 46 9.302 -7.620 10.370 1.00 0.00 H +ATOM 793 HA3 GLY A 46 8.128 -8.904 10.624 1.00 0.00 H +ATOM 794 N MET A 47 8.189 -7.004 7.962 1.00 0.00 N +ATOM 795 CA MET A 47 8.046 -7.001 6.518 1.00 0.00 C +ATOM 796 C MET A 47 9.087 -6.080 5.931 1.00 0.00 C +ATOM 797 O MET A 47 9.243 -4.953 6.417 1.00 0.00 O +ATOM 798 CB MET A 47 6.659 -6.510 6.110 1.00 0.00 C +ATOM 799 CG MET A 47 5.500 -7.400 6.560 1.00 0.00 C +ATOM 800 SD MET A 47 5.508 -9.034 5.781 1.00 0.00 S +ATOM 801 CE MET A 47 5.178 -8.607 4.073 1.00 0.00 C +ATOM 802 H MET A 47 8.354 -6.152 8.418 1.00 0.00 H +ATOM 803 HA MET A 47 8.192 -8.009 6.161 1.00 0.00 H +ATOM 804 HB2 MET A 47 6.546 -5.521 6.528 1.00 0.00 H +ATOM 805 HB3 MET A 47 6.635 -6.423 5.034 1.00 0.00 H +ATOM 806 HG2 MET A 47 5.562 -7.532 7.630 1.00 0.00 H +ATOM 807 HG3 MET A 47 4.571 -6.904 6.317 1.00 0.00 H +ATOM 808 HE1 MET A 47 5.148 -9.510 3.482 1.00 0.00 H +ATOM 809 HE2 MET A 47 5.947 -7.950 3.698 1.00 0.00 H +ATOM 810 HE3 MET A 47 4.216 -8.118 4.016 1.00 0.00 H +ATOM 811 N PRO A 48 9.812 -6.527 4.898 1.00 0.00 N +ATOM 812 CA PRO A 48 10.883 -5.741 4.277 1.00 0.00 C +ATOM 813 C PRO A 48 10.384 -4.445 3.622 1.00 0.00 C +ATOM 814 O PRO A 48 9.746 -4.473 2.556 1.00 0.00 O +ATOM 815 CB PRO A 48 11.484 -6.688 3.225 1.00 0.00 C +ATOM 816 CG PRO A 48 10.415 -7.695 2.962 1.00 0.00 C +ATOM 817 CD PRO A 48 9.659 -7.847 4.250 1.00 0.00 C +ATOM 818 HA PRO A 48 11.635 -5.494 5.010 1.00 0.00 H +ATOM 819 HB2 PRO A 48 11.730 -6.126 2.336 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.375 -7.154 3.622 1.00 0.00 H +ATOM 821 HG2 PRO A 48 9.760 -7.336 2.182 1.00 0.00 H +ATOM 822 HG3 PRO A 48 10.858 -8.637 2.673 1.00 0.00 H +ATOM 823 HD2 PRO A 48 8.621 -8.063 4.050 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.097 -8.625 4.857 1.00 0.00 H +ATOM 825 N ASP A 49 10.607 -3.330 4.330 1.00 0.00 N +ATOM 826 CA ASP A 49 10.298 -1.960 3.853 1.00 0.00 C +ATOM 827 C ASP A 49 8.850 -1.796 3.526 1.00 0.00 C +ATOM 828 O ASP A 49 8.485 -1.038 2.621 1.00 0.00 O +ATOM 829 CB ASP A 49 11.157 -1.555 2.637 1.00 0.00 C +ATOM 830 CG ASP A 49 12.587 -1.260 2.994 1.00 0.00 C +ATOM 831 OD1 ASP A 49 13.383 -2.205 3.094 1.00 0.00 O +ATOM 832 OD2 ASP A 49 12.931 -0.073 3.185 1.00 0.00 O +ATOM 833 H ASP A 49 10.983 -3.457 5.226 1.00 0.00 H +ATOM 834 HA ASP A 49 10.526 -1.286 4.666 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.148 -2.359 1.917 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.725 -0.675 2.185 1.00 0.00 H +ATOM 837 N CYS A 50 8.008 -2.447 4.282 1.00 0.00 N +ATOM 838 CA CYS A 50 6.622 -2.354 4.013 1.00 0.00 C +ATOM 839 C CYS A 50 5.992 -1.397 4.985 1.00 0.00 C +ATOM 840 O CYS A 50 6.349 -1.361 6.176 1.00 0.00 O +ATOM 841 CB CYS A 50 5.969 -3.724 4.069 1.00 0.00 C +ATOM 842 SG CYS A 50 6.696 -4.940 2.936 1.00 0.00 S +ATOM 843 H CYS A 50 8.318 -2.950 5.062 1.00 0.00 H +ATOM 844 HA CYS A 50 6.504 -1.950 3.019 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.063 -4.111 5.072 1.00 0.00 H +ATOM 846 HB3 CYS A 50 4.922 -3.625 3.822 1.00 0.00 H +ATOM 847 HG CYS A 50 7.919 -4.525 2.617 1.00 0.00 H +ATOM 848 N TYR A 51 5.080 -0.637 4.488 1.00 0.00 N +ATOM 849 CA TYR A 51 4.404 0.374 5.226 1.00 0.00 C +ATOM 850 C TYR A 51 2.932 0.202 4.966 1.00 0.00 C +ATOM 851 O TYR A 51 2.543 -0.347 3.919 1.00 0.00 O +ATOM 852 CB TYR A 51 4.842 1.779 4.753 1.00 0.00 C +ATOM 853 CG TYR A 51 6.329 2.123 4.900 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.298 1.522 4.104 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.747 3.067 5.812 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.637 1.849 4.223 1.00 0.00 C +ATOM 857 CE2 TYR A 51 8.084 3.399 5.937 1.00 0.00 C +ATOM 858 CZ TYR A 51 9.023 2.785 5.142 1.00 0.00 C +ATOM 859 OH TYR A 51 10.364 3.127 5.266 1.00 0.00 O +ATOM 860 H TYR A 51 4.814 -0.761 3.547 1.00 0.00 H +ATOM 861 HA TYR A 51 4.617 0.261 6.277 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.600 1.867 3.705 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.272 2.517 5.299 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.994 0.778 3.382 1.00 0.00 H +ATOM 865 HD2 TYR A 51 6.015 3.552 6.439 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.371 1.368 3.593 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.385 4.139 6.663 1.00 0.00 H +ATOM 868 HH TYR A 51 10.758 3.092 4.382 1.00 0.00 H +ATOM 869 N LYS A 52 2.129 0.625 5.883 1.00 0.00 N +ATOM 870 CA LYS A 52 0.708 0.509 5.753 1.00 0.00 C +ATOM 871 C LYS A 52 0.027 1.849 5.951 1.00 0.00 C +ATOM 872 O LYS A 52 0.421 2.652 6.804 1.00 0.00 O +ATOM 873 CB LYS A 52 0.150 -0.489 6.778 1.00 0.00 C +ATOM 874 CG LYS A 52 0.570 -0.165 8.202 1.00 0.00 C +ATOM 875 CD LYS A 52 -0.168 -0.979 9.238 1.00 0.00 C +ATOM 876 CE LYS A 52 0.407 -0.686 10.605 1.00 0.00 C +ATOM 877 NZ LYS A 52 -0.391 -1.256 11.701 1.00 0.00 N +ATOM 878 H LYS A 52 2.500 1.042 6.694 1.00 0.00 H +ATOM 879 HA LYS A 52 0.483 0.135 4.766 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.929 -0.475 6.725 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.509 -1.478 6.534 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.628 -0.363 8.301 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.389 0.885 8.380 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -1.213 -0.706 9.223 1.00 0.00 H +ATOM 885 HD3 LYS A 52 -0.055 -2.031 9.022 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.398 -1.110 10.648 1.00 0.00 H +ATOM 887 HE3 LYS A 52 0.480 0.382 10.714 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 -1.366 -0.893 11.673 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 0.017 -0.965 12.612 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 -0.421 -2.295 11.667 1.00 0.00 H +ATOM 891 N ILE A 53 -0.966 2.089 5.161 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.817 3.220 5.350 1.00 0.00 C +ATOM 893 C ILE A 53 -3.149 2.703 5.792 1.00 0.00 C +ATOM 894 O ILE A 53 -3.695 1.793 5.179 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.961 4.121 4.091 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.605 4.757 3.745 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -3.036 5.204 4.306 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.640 5.693 2.557 1.00 0.00 C +ATOM 899 H ILE A 53 -1.135 1.465 4.420 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.389 3.787 6.160 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.273 3.496 3.267 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.256 5.323 4.596 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.107 3.972 3.533 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -3.137 5.796 3.410 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.760 5.859 5.121 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.985 4.739 4.532 1.00 0.00 H +ATOM 907 HD11 ILE A 53 -1.015 5.162 1.696 1.00 0.00 H +ATOM 908 HD12 ILE A 53 0.359 6.051 2.356 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -1.284 6.529 2.780 1.00 0.00 H +ATOM 910 N LYS A 54 -3.648 3.243 6.845 1.00 0.00 N +ATOM 911 CA LYS A 54 -4.874 2.785 7.406 1.00 0.00 C +ATOM 912 C LYS A 54 -5.930 3.834 7.194 1.00 0.00 C +ATOM 913 O LYS A 54 -5.684 5.033 7.396 1.00 0.00 O +ATOM 914 CB LYS A 54 -4.750 2.411 8.922 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.343 3.552 9.864 1.00 0.00 C +ATOM 916 CD LYS A 54 -2.856 3.869 9.806 1.00 0.00 C +ATOM 917 CE LYS A 54 -2.576 5.207 10.437 1.00 0.00 C +ATOM 918 NZ LYS A 54 -1.153 5.590 10.335 1.00 0.00 N +ATOM 919 H LYS A 54 -3.212 4.038 7.211 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.155 1.897 6.859 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.704 2.034 9.260 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.023 1.618 9.018 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.894 4.438 9.588 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -4.607 3.275 10.875 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -2.339 3.111 10.375 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -2.471 3.855 8.801 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -3.181 5.929 9.908 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -2.877 5.170 11.473 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -0.827 5.579 9.348 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -0.538 4.957 10.884 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -1.031 6.560 10.688 1.00 0.00 H +ATOM 932 N LEU A 55 -7.072 3.418 6.749 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.153 4.321 6.574 1.00 0.00 C +ATOM 934 C LEU A 55 -8.856 4.363 7.913 1.00 0.00 C +ATOM 935 O LEU A 55 -9.650 3.467 8.247 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.085 3.860 5.445 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.795 4.969 4.638 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -10.630 4.372 3.543 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -10.651 5.864 5.512 1.00 0.00 C +ATOM 940 H LEU A 55 -7.187 2.458 6.563 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.743 5.298 6.359 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.503 3.265 4.757 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.842 3.226 5.884 1.00 0.00 H +ATOM 944 HG LEU A 55 -9.039 5.578 4.164 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -9.998 3.807 2.874 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -11.122 5.165 2.999 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -11.374 3.718 3.975 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.419 5.275 5.990 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -11.105 6.628 4.898 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -10.024 6.323 6.262 1.00 0.00 H +ATOM 951 N ARG A 56 -8.487 5.372 8.674 1.00 0.00 N +ATOM 952 CA ARG A 56 -8.859 5.592 10.071 1.00 0.00 C +ATOM 953 C ARG A 56 -10.347 5.358 10.364 1.00 0.00 C +ATOM 954 O ARG A 56 -10.691 4.752 11.373 1.00 0.00 O +ATOM 955 CB ARG A 56 -8.411 7.008 10.475 1.00 0.00 C +ATOM 956 CG ARG A 56 -8.642 7.398 11.922 1.00 0.00 C +ATOM 957 CD ARG A 56 -8.078 8.782 12.182 1.00 0.00 C +ATOM 958 NE ARG A 56 -8.284 9.240 13.562 1.00 0.00 N +ATOM 959 CZ ARG A 56 -7.630 10.268 14.128 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -6.677 10.915 13.455 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -7.929 10.638 15.362 1.00 0.00 N +ATOM 962 H ARG A 56 -7.889 6.028 8.257 1.00 0.00 H +ATOM 963 HA ARG A 56 -8.289 4.892 10.664 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -7.352 7.097 10.282 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -8.924 7.721 9.849 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -9.702 7.401 12.124 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -8.149 6.692 12.571 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -7.019 8.767 11.979 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -8.555 9.479 11.509 1.00 0.00 H +ATOM 970 HE ARG A 56 -8.963 8.749 14.085 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -6.406 10.672 12.521 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -6.191 11.692 13.865 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -8.642 10.155 15.878 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -7.479 11.405 15.829 1.00 0.00 H +ATOM 975 N SER A 57 -11.208 5.808 9.491 1.00 0.00 N +ATOM 976 CA SER A 57 -12.631 5.650 9.698 1.00 0.00 C +ATOM 977 C SER A 57 -13.148 4.251 9.268 1.00 0.00 C +ATOM 978 O SER A 57 -13.900 3.609 10.001 1.00 0.00 O +ATOM 979 CB SER A 57 -13.374 6.767 8.959 1.00 0.00 C +ATOM 980 OG SER A 57 -12.848 8.044 9.338 1.00 0.00 O +ATOM 981 H SER A 57 -10.874 6.288 8.702 1.00 0.00 H +ATOM 982 HA SER A 57 -12.818 5.764 10.755 1.00 0.00 H +ATOM 983 HB2 SER A 57 -13.249 6.639 7.894 1.00 0.00 H +ATOM 984 HB3 SER A 57 -14.424 6.735 9.210 1.00 0.00 H +ATOM 985 HG SER A 57 -12.382 7.893 10.170 1.00 0.00 H +ATOM 986 N SER A 58 -12.712 3.777 8.118 1.00 0.00 N +ATOM 987 CA SER A 58 -13.235 2.545 7.553 1.00 0.00 C +ATOM 988 C SER A 58 -12.665 1.277 8.232 1.00 0.00 C +ATOM 989 O SER A 58 -13.380 0.283 8.403 1.00 0.00 O +ATOM 990 CB SER A 58 -12.930 2.530 6.068 1.00 0.00 C +ATOM 991 OG SER A 58 -13.238 3.788 5.498 1.00 0.00 O +ATOM 992 H SER A 58 -12.031 4.262 7.608 1.00 0.00 H +ATOM 993 HA SER A 58 -14.309 2.554 7.672 1.00 0.00 H +ATOM 994 HB2 SER A 58 -11.882 2.318 5.916 1.00 0.00 H +ATOM 995 HB3 SER A 58 -13.530 1.773 5.585 1.00 0.00 H +ATOM 996 HG SER A 58 -14.180 3.840 5.292 1.00 0.00 H +ATOM 997 N GLY A 59 -11.406 1.314 8.620 1.00 0.00 N +ATOM 998 CA GLY A 59 -10.786 0.135 9.208 1.00 0.00 C +ATOM 999 C GLY A 59 -10.045 -0.678 8.164 1.00 0.00 C +ATOM 1000 O GLY A 59 -9.694 -1.838 8.380 1.00 0.00 O +ATOM 1001 H GLY A 59 -10.885 2.146 8.539 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.093 0.445 9.976 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.553 -0.483 9.649 1.00 0.00 H +ATOM 1004 N TYR A 60 -9.828 -0.063 7.026 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.113 -0.676 5.919 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.660 -0.279 5.974 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.317 0.715 6.605 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.698 -0.219 4.577 1.00 0.00 C +ATOM 1009 CG TYR A 60 -10.965 -0.926 4.151 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.159 -0.773 4.841 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -10.959 -1.738 3.029 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.304 -1.419 4.427 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.095 -2.383 2.608 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.263 -2.223 3.308 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.393 -2.884 2.891 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.139 0.861 6.948 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.212 -1.749 5.996 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -9.924 0.836 4.640 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -8.954 -0.368 3.809 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.182 -0.143 5.718 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.038 -1.863 2.480 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.226 -1.290 4.975 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.064 -3.014 1.732 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.148 -2.287 3.000 1.00 0.00 H +ATOM 1025 N ARG A 61 -6.811 -1.051 5.354 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.414 -0.736 5.287 1.00 0.00 C +ATOM 1027 C ARG A 61 -4.807 -1.153 3.970 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.232 -2.129 3.345 1.00 0.00 O +ATOM 1029 CB ARG A 61 -4.568 -1.204 6.509 1.00 0.00 C +ATOM 1030 CG ARG A 61 -4.674 -2.667 6.918 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.022 -2.989 7.544 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.339 -2.129 8.702 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -6.865 -2.552 9.870 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -7.016 -3.851 10.120 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.230 -1.670 10.791 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.121 -1.861 4.887 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.417 0.342 5.282 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -3.529 -1.015 6.287 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -4.840 -0.593 7.357 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.543 -3.283 6.040 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -3.893 -2.890 7.630 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -6.788 -2.858 6.792 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.000 -4.014 7.859 1.00 0.00 H +ATOM 1044 HE ARG A 61 -6.187 -1.170 8.551 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -6.755 -4.563 9.468 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -7.399 -4.167 10.992 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -7.146 -0.676 10.667 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -7.621 -1.960 11.667 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.851 -0.403 3.547 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.171 -0.622 2.308 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.708 -0.855 2.628 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.097 -0.056 3.333 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.397 0.623 1.407 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.854 0.603 -0.037 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.530 1.685 -0.848 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.367 0.851 -0.064 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.576 0.362 4.101 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.583 -1.497 1.828 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.461 0.794 1.352 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -2.960 1.469 1.917 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.057 -0.353 -0.495 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.135 1.663 -1.854 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.336 2.648 -0.399 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -4.595 1.503 -0.876 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.173 1.796 0.420 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.032 0.894 -1.088 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -0.852 0.061 0.461 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.166 -1.946 2.137 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.201 -2.323 2.421 1.00 0.00 C +ATOM 1070 C VAL A 63 1.056 -2.186 1.172 1.00 0.00 C +ATOM 1071 O VAL A 63 0.757 -2.787 0.117 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.283 -3.781 2.963 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.730 -4.197 3.215 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.533 -3.922 4.242 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.677 -2.523 1.525 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.579 -1.652 3.178 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.134 -4.443 2.219 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.179 -3.509 3.916 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.280 -4.179 2.286 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 1.749 -5.193 3.631 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.149 -3.243 4.988 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.461 -4.936 4.608 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -1.567 -3.685 4.037 1.00 0.00 H +ATOM 1084 N TYR A 64 2.097 -1.409 1.276 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.997 -1.200 0.177 1.00 0.00 C +ATOM 1086 C TYR A 64 4.435 -1.318 0.634 1.00 0.00 C +ATOM 1087 O TYR A 64 4.722 -1.171 1.816 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.740 0.166 -0.513 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.823 1.415 0.369 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.009 1.818 0.969 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.709 2.199 0.568 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.067 2.957 1.739 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.759 3.338 1.333 1.00 0.00 C +ATOM 1094 CZ TYR A 64 2.943 3.713 1.918 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.001 4.848 2.691 1.00 0.00 O +ATOM 1096 H TYR A 64 2.288 -0.969 2.137 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.805 -1.985 -0.539 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.444 0.299 -1.319 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.748 0.139 -0.937 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.897 1.219 0.827 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.781 1.900 0.106 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.000 3.254 2.195 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.866 3.932 1.462 1.00 0.00 H +ATOM 1104 HH TYR A 64 3.819 5.317 2.508 1.00 0.00 H +ATOM 1105 N GLN A 65 5.317 -1.598 -0.280 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.723 -1.628 0.016 1.00 0.00 C +ATOM 1107 C GLN A 65 7.366 -0.414 -0.618 1.00 0.00 C +ATOM 1108 O GLN A 65 7.092 -0.088 -1.783 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.398 -2.939 -0.469 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.326 -3.179 -1.975 1.00 0.00 C +ATOM 1111 CD GLN A 65 7.988 -4.473 -2.422 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.354 -5.521 -2.513 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.263 -4.413 -2.698 1.00 0.00 N +ATOM 1114 H GLN A 65 5.012 -1.774 -1.200 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.830 -1.539 1.087 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.441 -2.900 -0.193 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.943 -3.775 0.040 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.288 -3.206 -2.268 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.812 -2.351 -2.469 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.718 -3.552 -2.596 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.720 -5.223 -3.017 1.00 0.00 H +ATOM 1122 N VAL A 66 8.156 0.289 0.128 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.828 1.435 -0.416 1.00 0.00 C +ATOM 1124 C VAL A 66 10.212 1.021 -0.807 1.00 0.00 C +ATOM 1125 O VAL A 66 11.048 0.720 0.046 1.00 0.00 O +ATOM 1126 CB VAL A 66 8.893 2.633 0.580 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.671 3.803 -0.016 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.499 3.089 0.956 1.00 0.00 C +ATOM 1129 H VAL A 66 8.320 0.004 1.058 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.293 1.740 -1.305 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.401 2.307 1.475 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 9.193 4.132 -0.927 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 10.679 3.485 -0.236 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.700 4.617 0.693 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 6.968 3.399 0.069 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.564 3.917 1.647 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 6.972 2.270 1.424 1.00 0.00 H +ATOM 1138 N ILE A 67 10.455 0.993 -2.075 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.729 0.619 -2.567 1.00 0.00 C +ATOM 1140 C ILE A 67 12.468 1.889 -2.881 1.00 0.00 C +ATOM 1141 O ILE A 67 12.267 2.473 -3.949 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.632 -0.226 -3.861 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.619 -1.366 -3.693 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 13.003 -0.799 -4.197 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 10.373 -2.156 -4.964 1.00 0.00 C +ATOM 1146 H ILE A 67 9.759 1.254 -2.721 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.251 0.058 -1.807 1.00 0.00 H +ATOM 1148 HB ILE A 67 11.315 0.417 -4.668 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.984 -2.054 -2.945 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.676 -0.957 -3.365 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 12.945 -1.364 -5.115 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 13.320 -1.451 -3.396 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.716 0.004 -4.309 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 11.301 -2.595 -5.301 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.989 -1.498 -5.729 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 9.655 -2.938 -4.769 1.00 0.00 H +ATOM 1157 N ASP A 68 13.281 2.343 -1.955 1.00 0.00 N +ATOM 1158 CA ASP A 68 14.021 3.596 -2.140 1.00 0.00 C +ATOM 1159 C ASP A 68 15.037 3.426 -3.240 1.00 0.00 C +ATOM 1160 O ASP A 68 15.287 4.339 -4.018 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.709 4.040 -0.847 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.411 5.384 -0.980 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 16.598 5.427 -1.357 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 14.786 6.423 -0.684 1.00 0.00 O +ATOM 1165 H ASP A 68 13.387 1.824 -1.126 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.313 4.350 -2.450 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 13.973 4.119 -0.061 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.444 3.300 -0.571 1.00 0.00 H +ATOM 1169 N GLU A 69 15.552 2.215 -3.336 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.540 1.837 -4.340 1.00 0.00 C +ATOM 1171 C GLU A 69 15.992 2.049 -5.764 1.00 0.00 C +ATOM 1172 O GLU A 69 16.721 2.427 -6.673 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.910 0.370 -4.158 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.360 -0.002 -2.750 1.00 0.00 C +ATOM 1175 CD GLU A 69 18.578 0.756 -2.295 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 19.691 0.457 -2.772 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 18.458 1.651 -1.440 1.00 0.00 O +ATOM 1178 H GLU A 69 15.265 1.554 -2.671 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.426 2.439 -4.197 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 16.050 -0.235 -4.406 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.710 0.132 -4.845 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 16.553 0.205 -2.065 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 17.579 -1.060 -2.727 1.00 0.00 H +ATOM 1184 N LYS A 70 14.699 1.805 -5.939 1.00 0.00 N +ATOM 1185 CA LYS A 70 14.057 1.959 -7.242 1.00 0.00 C +ATOM 1186 C LYS A 70 13.220 3.231 -7.286 1.00 0.00 C +ATOM 1187 O LYS A 70 12.634 3.561 -8.315 1.00 0.00 O +ATOM 1188 CB LYS A 70 13.183 0.739 -7.578 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.951 -0.555 -7.807 1.00 0.00 C +ATOM 1190 CD LYS A 70 13.009 -1.717 -8.114 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.776 -3.002 -8.411 1.00 0.00 C +ATOM 1192 NZ LYS A 70 12.873 -4.150 -8.644 1.00 0.00 N +ATOM 1193 H LYS A 70 14.160 1.537 -5.168 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.839 2.042 -7.981 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.512 0.570 -6.748 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.604 0.958 -8.463 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.612 -0.409 -8.647 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.530 -0.787 -6.925 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 12.365 -1.886 -7.262 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.409 -1.459 -8.975 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 14.381 -2.851 -9.292 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 14.421 -3.225 -7.573 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 12.200 -3.968 -9.415 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 12.328 -4.391 -7.790 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 13.416 -4.999 -8.899 1.00 0.00 H +ATOM 1206 N VAL A 71 13.178 3.932 -6.151 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.433 5.190 -5.974 1.00 0.00 C +ATOM 1208 C VAL A 71 10.915 4.948 -6.251 1.00 0.00 C +ATOM 1209 O VAL A 71 10.179 5.827 -6.692 1.00 0.00 O +ATOM 1210 CB VAL A 71 13.028 6.339 -6.888 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 12.428 7.706 -6.562 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.548 6.404 -6.758 1.00 0.00 C +ATOM 1213 H VAL A 71 13.687 3.595 -5.383 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.537 5.467 -4.935 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.789 6.106 -7.916 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 11.363 7.675 -6.731 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.876 8.458 -7.196 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.622 7.945 -5.527 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.978 5.461 -7.065 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.810 6.600 -5.729 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.931 7.196 -7.384 1.00 0.00 H +ATOM 1222 N VAL A 72 10.442 3.772 -5.916 1.00 0.00 N +ATOM 1223 CA VAL A 72 9.065 3.435 -6.182 1.00 0.00 C +ATOM 1224 C VAL A 72 8.405 2.802 -4.964 1.00 0.00 C +ATOM 1225 O VAL A 72 9.018 2.021 -4.227 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.912 2.516 -7.448 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.616 1.184 -7.268 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.446 2.298 -7.821 1.00 0.00 C +ATOM 1229 H VAL A 72 11.019 3.128 -5.452 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.551 4.365 -6.380 1.00 0.00 H +ATOM 1231 HB VAL A 72 9.396 3.021 -8.271 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 9.197 0.670 -6.416 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 10.668 1.361 -7.104 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 9.478 0.587 -8.157 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.979 3.248 -8.036 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.933 1.828 -6.994 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 7.388 1.661 -8.691 1.00 0.00 H +ATOM 1238 N VAL A 73 7.196 3.197 -4.741 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.357 2.667 -3.727 1.00 0.00 C +ATOM 1240 C VAL A 73 5.441 1.664 -4.408 1.00 0.00 C +ATOM 1241 O VAL A 73 4.627 2.031 -5.258 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.518 3.802 -3.089 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.611 3.272 -2.011 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.416 4.898 -2.538 1.00 0.00 C +ATOM 1245 H VAL A 73 6.810 3.901 -5.310 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.960 2.184 -2.972 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.900 4.234 -3.863 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 3.931 2.549 -2.436 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 4.047 4.084 -1.578 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 5.203 2.795 -1.244 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 7.076 4.484 -1.790 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 5.810 5.671 -2.091 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 7.003 5.319 -3.341 1.00 0.00 H +ATOM 1254 N PHE A 74 5.583 0.432 -4.058 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.875 -0.638 -4.710 1.00 0.00 C +ATOM 1256 C PHE A 74 3.792 -1.188 -3.802 1.00 0.00 C +ATOM 1257 O PHE A 74 4.091 -1.779 -2.764 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.893 -1.723 -5.103 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.328 -2.958 -5.749 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.819 -2.916 -7.031 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 5.339 -4.169 -5.077 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.332 -4.057 -7.631 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.851 -5.310 -5.669 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.349 -5.253 -6.947 1.00 0.00 C +ATOM 1265 H PHE A 74 6.185 0.212 -3.310 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.423 -0.251 -5.611 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.602 -1.297 -5.797 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.426 -2.025 -4.215 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 4.806 -1.978 -7.566 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.733 -4.214 -4.073 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 3.935 -4.013 -8.635 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.863 -6.247 -5.133 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.966 -6.147 -7.417 1.00 0.00 H +ATOM 1274 N VAL A 75 2.544 -0.955 -4.168 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.410 -1.456 -3.413 1.00 0.00 C +ATOM 1276 C VAL A 75 1.299 -2.947 -3.642 1.00 0.00 C +ATOM 1277 O VAL A 75 1.151 -3.395 -4.784 1.00 0.00 O +ATOM 1278 CB VAL A 75 0.081 -0.751 -3.817 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.106 -1.300 -3.023 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.199 0.760 -3.634 1.00 0.00 C +ATOM 1281 H VAL A 75 2.382 -0.439 -4.992 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.605 -1.286 -2.365 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.101 -0.954 -4.861 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.223 -2.351 -3.243 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -2.010 -0.774 -3.295 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -0.929 -1.179 -1.965 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.460 0.983 -2.611 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 -0.747 1.225 -3.872 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.964 1.142 -4.294 1.00 0.00 H +ATOM 1290 N ILE A 76 1.365 -3.700 -2.569 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.390 -5.141 -2.663 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.001 -5.711 -2.431 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.442 -6.617 -3.133 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.342 -5.749 -1.608 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.696 -5.041 -1.610 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.545 -7.218 -1.904 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.621 -5.510 -0.507 1.00 0.00 C +ATOM 1298 H ILE A 76 1.390 -3.276 -1.683 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.742 -5.421 -3.644 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.889 -5.649 -0.632 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.188 -5.220 -2.554 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.542 -3.978 -1.489 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 1.607 -7.745 -1.807 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 3.284 -7.626 -1.228 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 2.904 -7.318 -2.916 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 4.752 -6.580 -0.587 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.206 -5.260 0.458 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 5.578 -5.029 -0.628 1.00 0.00 H +ATOM 1309 N SER A 77 -0.694 -5.169 -1.460 1.00 0.00 N +ATOM 1310 CA SER A 77 -1.995 -5.652 -1.119 1.00 0.00 C +ATOM 1311 C SER A 77 -2.781 -4.510 -0.493 1.00 0.00 C +ATOM 1312 O SER A 77 -2.190 -3.590 0.090 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.863 -6.841 -0.148 1.00 0.00 C +ATOM 1314 OG SER A 77 -3.104 -7.503 0.037 1.00 0.00 O +ATOM 1315 H SER A 77 -0.342 -4.410 -0.946 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.488 -5.979 -2.021 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.152 -7.549 -0.546 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -1.511 -6.483 0.808 1.00 0.00 H +ATOM 1319 HG SER A 77 -3.057 -8.330 -0.456 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.081 -4.546 -0.631 1.00 0.00 N +ATOM 1321 CA VAL A 78 -4.929 -3.499 -0.121 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.291 -4.073 0.283 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.821 -4.963 -0.394 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.088 -2.343 -1.171 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.670 -2.839 -2.487 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -5.921 -1.203 -0.624 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.513 -5.310 -1.067 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.454 -3.100 0.762 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.099 -1.968 -1.386 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -5.763 -2.013 -3.175 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -6.646 -3.265 -2.307 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -5.022 -3.592 -2.910 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.445 -0.814 0.263 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -6.910 -1.559 -0.380 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -5.983 -0.422 -1.368 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.814 -3.629 1.407 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.118 -4.059 1.824 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.234 -4.168 3.316 1.00 0.00 C +ATOM 1339 O GLY A 79 -7.736 -3.318 4.054 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.309 -3.018 1.992 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.840 -3.335 1.480 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.336 -5.019 1.382 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.898 -5.184 3.762 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.067 -5.422 5.166 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.116 -6.504 5.623 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.623 -7.303 4.815 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.518 -5.806 5.491 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.516 -4.684 5.262 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.945 -5.097 5.607 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.507 -6.150 4.657 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -13.653 -5.650 3.266 1.00 0.00 N +ATOM 1352 H LYS A 80 -9.285 -5.821 3.124 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.825 -4.507 5.686 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.800 -6.635 4.861 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.584 -6.115 6.524 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.242 -3.845 5.884 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.475 -4.387 4.225 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -12.957 -5.503 6.608 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.577 -4.222 5.573 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -12.835 -6.993 4.649 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -14.474 -6.460 5.026 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -14.232 -4.785 3.212 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -14.148 -6.357 2.686 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -12.738 -5.467 2.811 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.852 -6.524 6.890 1.00 0.00 N +ATOM 1366 CA ALA A 81 -6.987 -7.507 7.472 1.00 0.00 C +ATOM 1367 C ALA A 81 -7.731 -8.167 8.591 1.00 0.00 C +ATOM 1368 O ALA A 81 -7.829 -7.613 9.692 1.00 0.00 O +ATOM 1369 CB ALA A 81 -5.700 -6.864 7.979 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.283 -5.868 7.480 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.746 -8.242 6.719 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -5.040 -7.624 8.371 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -5.940 -6.163 8.764 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -5.212 -6.341 7.171 1.00 0.00 H +ATOM 1375 N GLU A 82 -8.331 -9.287 8.300 1.00 0.00 N +ATOM 1376 CA GLU A 82 -9.125 -9.985 9.282 1.00 0.00 C +ATOM 1377 C GLU A 82 -8.607 -11.393 9.470 1.00 0.00 C +ATOM 1378 O GLU A 82 -8.503 -11.884 10.589 1.00 0.00 O +ATOM 1379 CB GLU A 82 -10.595 -9.971 8.863 1.00 0.00 C +ATOM 1380 CG GLU A 82 -11.123 -8.557 8.641 1.00 0.00 C +ATOM 1381 CD GLU A 82 -12.542 -8.514 8.175 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -12.812 -8.917 7.025 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -13.423 -8.061 8.948 1.00 0.00 O +ATOM 1384 H GLU A 82 -8.245 -9.667 7.393 1.00 0.00 H +ATOM 1385 HA GLU A 82 -9.024 -9.459 10.218 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -10.702 -10.528 7.944 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -11.188 -10.439 9.633 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -11.060 -8.015 9.572 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -10.499 -8.071 7.906 1.00 0.00 H +ATOM 1390 N ALA A 83 -8.266 -12.032 8.381 1.00 0.00 N +ATOM 1391 CA ALA A 83 -7.708 -13.368 8.418 1.00 0.00 C +ATOM 1392 C ALA A 83 -6.366 -13.361 7.705 1.00 0.00 C +ATOM 1393 O ALA A 83 -5.919 -14.387 7.155 1.00 0.00 O +ATOM 1394 CB ALA A 83 -8.669 -14.373 7.789 1.00 0.00 C +ATOM 1395 H ALA A 83 -8.398 -11.607 7.500 1.00 0.00 H +ATOM 1396 HA ALA A 83 -7.548 -13.628 9.454 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -8.830 -14.113 6.754 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -9.611 -14.349 8.316 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -8.246 -15.365 7.850 1.00 0.00 H +ATOM 1400 N SER A 84 -5.715 -12.191 7.765 1.00 0.00 N +ATOM 1401 CA SER A 84 -4.390 -11.938 7.195 1.00 0.00 C +ATOM 1402 C SER A 84 -4.407 -11.850 5.673 1.00 0.00 C +ATOM 1403 O SER A 84 -3.420 -12.187 5.026 1.00 0.00 O +ATOM 1404 CB SER A 84 -3.360 -12.972 7.694 1.00 0.00 C +ATOM 1405 OG SER A 84 -3.239 -12.908 9.109 1.00 0.00 O +ATOM 1406 H SER A 84 -6.160 -11.461 8.246 1.00 0.00 H +ATOM 1407 HA SER A 84 -4.094 -10.968 7.561 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -3.690 -13.962 7.418 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -2.397 -12.776 7.247 1.00 0.00 H +ATOM 1410 HG SER A 84 -2.531 -13.505 9.382 1.00 0.00 H +ATOM 1411 N GLU A 85 -5.486 -11.281 5.115 1.00 0.00 N +ATOM 1412 CA GLU A 85 -5.632 -11.132 3.666 1.00 0.00 C +ATOM 1413 C GLU A 85 -4.468 -10.337 3.090 1.00 0.00 C +ATOM 1414 O GLU A 85 -3.767 -10.798 2.184 1.00 0.00 O +ATOM 1415 CB GLU A 85 -6.929 -10.381 3.323 1.00 0.00 C +ATOM 1416 CG GLU A 85 -8.241 -11.109 3.589 1.00 0.00 C +ATOM 1417 CD GLU A 85 -8.483 -11.459 5.029 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -8.260 -10.605 5.928 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -8.876 -12.590 5.290 1.00 0.00 O +ATOM 1420 H GLU A 85 -6.234 -10.966 5.670 1.00 0.00 H +ATOM 1421 HA GLU A 85 -5.670 -12.113 3.216 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -6.948 -9.465 3.894 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -6.886 -10.122 2.279 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -9.061 -10.492 3.254 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -8.238 -12.021 3.009 1.00 0.00 H +ATOM 1426 N VAL A 86 -4.221 -9.179 3.676 1.00 0.00 N +ATOM 1427 CA VAL A 86 -3.166 -8.306 3.201 1.00 0.00 C +ATOM 1428 C VAL A 86 -1.773 -8.841 3.527 1.00 0.00 C +ATOM 1429 O VAL A 86 -0.839 -8.590 2.798 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.316 -6.842 3.712 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -4.607 -6.221 3.198 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -3.260 -6.772 5.234 1.00 0.00 C +ATOM 1433 H VAL A 86 -4.787 -8.899 4.425 1.00 0.00 H +ATOM 1434 HA VAL A 86 -3.253 -8.291 2.124 1.00 0.00 H +ATOM 1435 HB VAL A 86 -2.494 -6.267 3.311 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -5.450 -6.801 3.546 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -4.597 -6.209 2.119 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -4.691 -5.208 3.565 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -2.308 -7.152 5.578 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -4.053 -7.379 5.646 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -3.379 -5.748 5.556 1.00 0.00 H +ATOM 1442 N TYR A 87 -1.654 -9.619 4.593 1.00 0.00 N +ATOM 1443 CA TYR A 87 -0.352 -10.121 5.013 1.00 0.00 C +ATOM 1444 C TYR A 87 0.092 -11.276 4.153 1.00 0.00 C +ATOM 1445 O TYR A 87 1.217 -11.276 3.653 1.00 0.00 O +ATOM 1446 CB TYR A 87 -0.330 -10.533 6.484 1.00 0.00 C +ATOM 1447 CG TYR A 87 -0.473 -9.396 7.471 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 0.624 -8.615 7.810 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 -1.689 -9.121 8.083 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 0.515 -7.593 8.730 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 -1.809 -8.095 8.999 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -0.704 -7.337 9.323 1.00 0.00 C +ATOM 1453 OH TYR A 87 -0.817 -6.321 10.252 1.00 0.00 O +ATOM 1454 H TYR A 87 -2.464 -9.883 5.074 1.00 0.00 H +ATOM 1455 HA TYR A 87 0.352 -9.315 4.872 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 -1.135 -11.228 6.659 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 0.606 -11.034 6.685 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 1.577 -8.816 7.342 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 -2.552 -9.717 7.828 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 1.381 -6.996 8.975 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 -2.763 -7.892 9.463 1.00 0.00 H +ATOM 1462 HH TYR A 87 -1.377 -6.659 10.962 1.00 0.00 H +ATOM 1463 N SER A 88 -0.798 -12.241 3.957 1.00 0.00 N +ATOM 1464 CA SER A 88 -0.500 -13.414 3.167 1.00 0.00 C +ATOM 1465 C SER A 88 -0.159 -13.029 1.733 1.00 0.00 C +ATOM 1466 O SER A 88 0.819 -13.536 1.164 1.00 0.00 O +ATOM 1467 CB SER A 88 -1.675 -14.379 3.206 1.00 0.00 C +ATOM 1468 OG SER A 88 -1.994 -14.735 4.550 1.00 0.00 O +ATOM 1469 H SER A 88 -1.693 -12.192 4.361 1.00 0.00 H +ATOM 1470 HA SER A 88 0.360 -13.896 3.607 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -2.535 -13.906 2.756 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -1.426 -15.273 2.655 1.00 0.00 H +ATOM 1473 HG SER A 88 -2.904 -15.056 4.527 1.00 0.00 H +ATOM 1474 N GLU A 89 -0.924 -12.101 1.165 1.00 0.00 N +ATOM 1475 CA GLU A 89 -0.647 -11.643 -0.176 1.00 0.00 C +ATOM 1476 C GLU A 89 0.642 -10.859 -0.222 1.00 0.00 C +ATOM 1477 O GLU A 89 1.390 -10.976 -1.164 1.00 0.00 O +ATOM 1478 CB GLU A 89 -1.797 -10.823 -0.763 1.00 0.00 C +ATOM 1479 CG GLU A 89 -3.056 -11.628 -1.030 1.00 0.00 C +ATOM 1480 CD GLU A 89 -2.801 -12.809 -1.941 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -2.561 -12.619 -3.151 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -2.837 -13.962 -1.461 1.00 0.00 O +ATOM 1483 H GLU A 89 -1.685 -11.721 1.655 1.00 0.00 H +ATOM 1484 HA GLU A 89 -0.512 -12.529 -0.780 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -2.042 -10.030 -0.073 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -1.471 -10.382 -1.694 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -3.438 -11.997 -0.089 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -3.790 -10.986 -1.493 1.00 0.00 H +ATOM 1489 N ALA A 90 0.921 -10.099 0.828 1.00 0.00 N +ATOM 1490 CA ALA A 90 2.127 -9.300 0.880 1.00 0.00 C +ATOM 1491 C ALA A 90 3.370 -10.169 0.922 1.00 0.00 C +ATOM 1492 O ALA A 90 4.234 -10.052 0.061 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.111 -8.326 2.046 1.00 0.00 C +ATOM 1494 H ALA A 90 0.299 -10.072 1.585 1.00 0.00 H +ATOM 1495 HA ALA A 90 2.150 -8.728 -0.035 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 1.216 -7.723 2.001 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 2.979 -7.686 1.994 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 2.125 -8.878 2.974 1.00 0.00 H +ATOM 1499 N VAL A 91 3.434 -11.078 1.887 1.00 0.00 N +ATOM 1500 CA VAL A 91 4.609 -11.927 2.060 1.00 0.00 C +ATOM 1501 C VAL A 91 4.828 -12.856 0.845 1.00 0.00 C +ATOM 1502 O VAL A 91 5.968 -13.097 0.426 1.00 0.00 O +ATOM 1503 CB VAL A 91 4.582 -12.720 3.418 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 3.389 -13.655 3.528 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 5.883 -13.474 3.652 1.00 0.00 C +ATOM 1506 H VAL A 91 2.667 -11.173 2.496 1.00 0.00 H +ATOM 1507 HA VAL A 91 5.452 -11.250 2.078 1.00 0.00 H +ATOM 1508 HB VAL A 91 4.478 -11.988 4.206 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 3.411 -14.365 2.716 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 2.477 -13.079 3.481 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 3.433 -14.181 4.470 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 5.830 -14.008 4.589 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 6.708 -12.776 3.680 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 6.036 -14.175 2.846 1.00 0.00 H +ATOM 1515 N LYS A 92 3.744 -13.327 0.249 1.00 0.00 N +ATOM 1516 CA LYS A 92 3.837 -14.172 -0.935 1.00 0.00 C +ATOM 1517 C LYS A 92 4.143 -13.366 -2.196 1.00 0.00 C +ATOM 1518 O LYS A 92 4.604 -13.914 -3.184 1.00 0.00 O +ATOM 1519 CB LYS A 92 2.579 -15.042 -1.141 1.00 0.00 C +ATOM 1520 CG LYS A 92 2.593 -16.421 -0.451 1.00 0.00 C +ATOM 1521 CD LYS A 92 2.724 -16.344 1.062 1.00 0.00 C +ATOM 1522 CE LYS A 92 2.716 -17.734 1.702 1.00 0.00 C +ATOM 1523 NZ LYS A 92 1.447 -18.466 1.461 1.00 0.00 N +ATOM 1524 H LYS A 92 2.856 -13.102 0.606 1.00 0.00 H +ATOM 1525 HA LYS A 92 4.678 -14.829 -0.768 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 1.726 -14.496 -0.764 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 2.444 -15.197 -2.201 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 1.670 -16.931 -0.681 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 3.417 -16.993 -0.849 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 3.663 -15.863 1.298 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 1.904 -15.764 1.460 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 3.530 -18.312 1.289 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 2.864 -17.627 2.766 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 1.289 -18.638 0.448 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 0.627 -17.935 1.823 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 1.461 -19.386 1.948 1.00 0.00 H +ATOM 1537 N ARG A 93 3.904 -12.075 -2.171 1.00 0.00 N +ATOM 1538 CA ARG A 93 4.146 -11.282 -3.360 1.00 0.00 C +ATOM 1539 C ARG A 93 5.547 -10.667 -3.319 1.00 0.00 C +ATOM 1540 O ARG A 93 6.004 -10.028 -4.287 1.00 0.00 O +ATOM 1541 CB ARG A 93 3.057 -10.232 -3.554 1.00 0.00 C +ATOM 1542 CG ARG A 93 2.950 -9.675 -4.960 1.00 0.00 C +ATOM 1543 CD ARG A 93 2.684 -10.790 -5.963 1.00 0.00 C +ATOM 1544 NE ARG A 93 2.417 -10.270 -7.289 1.00 0.00 N +ATOM 1545 CZ ARG A 93 2.457 -10.952 -8.425 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 2.792 -12.242 -8.441 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 2.178 -10.329 -9.547 1.00 0.00 N +ATOM 1548 H ARG A 93 3.548 -11.643 -1.364 1.00 0.00 H +ATOM 1549 HA ARG A 93 4.122 -11.976 -4.187 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 2.106 -10.670 -3.292 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 3.259 -9.415 -2.878 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 2.138 -8.964 -5.001 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 3.877 -9.184 -5.219 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 3.558 -11.421 -6.023 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 1.837 -11.371 -5.633 1.00 0.00 H +ATOM 1556 HE ARG A 93 2.165 -9.311 -7.326 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 3.025 -12.745 -7.605 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 2.819 -12.766 -9.297 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 1.940 -9.354 -9.513 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 2.160 -10.787 -10.439 1.00 0.00 H +ATOM 1561 N ILE A 94 6.218 -10.838 -2.187 1.00 0.00 N +ATOM 1562 CA ILE A 94 7.617 -10.488 -2.075 1.00 0.00 C +ATOM 1563 C ILE A 94 8.369 -11.572 -2.827 1.00 0.00 C +ATOM 1564 O ILE A 94 8.494 -12.703 -2.351 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.110 -10.444 -0.590 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 7.328 -9.407 0.241 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 9.616 -10.165 -0.511 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 7.465 -7.973 -0.238 1.00 0.00 C +ATOM 1569 H ILE A 94 5.754 -11.222 -1.413 1.00 0.00 H +ATOM 1570 HA ILE A 94 7.777 -9.536 -2.559 1.00 0.00 H +ATOM 1571 HB ILE A 94 7.941 -11.425 -0.171 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 6.276 -9.653 0.212 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 7.669 -9.451 1.266 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 9.827 -9.212 -0.973 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 10.154 -10.943 -1.032 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 9.926 -10.141 0.523 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 6.891 -7.322 0.405 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 7.096 -7.892 -1.249 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 8.504 -7.680 -0.208 1.00 0.00 H +ATOM 1580 N LEU A 95 8.788 -11.257 -4.011 1.00 0.00 N +ATOM 1581 CA LEU A 95 9.395 -12.223 -4.867 1.00 0.00 C +ATOM 1582 C LEU A 95 10.675 -11.635 -5.434 1.00 0.00 C +ATOM 1583 O LEU A 95 11.748 -11.809 -4.806 1.00 0.00 O +ATOM 1584 CB LEU A 95 8.389 -12.592 -5.981 1.00 0.00 C +ATOM 1585 CG LEU A 95 8.739 -13.773 -6.885 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 8.848 -15.058 -6.079 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 7.693 -13.925 -7.981 1.00 0.00 C +ATOM 1588 OXT LEU A 95 10.621 -10.955 -6.463 1.00 0.00 O +ATOM 1589 H LEU A 95 8.697 -10.337 -4.333 1.00 0.00 H +ATOM 1590 HA LEU A 95 9.617 -13.105 -4.286 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 7.441 -12.808 -5.512 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 8.258 -11.721 -6.605 1.00 0.00 H +ATOM 1593 HG LEU A 95 9.693 -13.585 -7.354 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 9.636 -14.969 -5.346 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 9.065 -15.880 -6.743 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 7.910 -15.244 -5.577 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 7.950 -14.767 -8.607 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 7.666 -13.028 -8.582 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 6.723 -14.091 -7.536 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 8 +ATOM 1 N MET A 1 10.858 13.903 -0.634 1.00 0.00 N +ATOM 2 CA MET A 1 11.185 13.236 -1.882 1.00 0.00 C +ATOM 3 C MET A 1 9.988 12.454 -2.335 1.00 0.00 C +ATOM 4 O MET A 1 9.452 11.654 -1.586 1.00 0.00 O +ATOM 5 CB MET A 1 12.368 12.306 -1.685 1.00 0.00 C +ATOM 6 CG MET A 1 12.848 11.581 -2.934 1.00 0.00 C +ATOM 7 SD MET A 1 14.229 10.460 -2.583 1.00 0.00 S +ATOM 8 CE MET A 1 14.579 9.818 -4.216 1.00 0.00 C +ATOM 9 H MET A 1 10.601 13.194 0.081 1.00 0.00 H +ATOM 10 HA MET A 1 11.427 13.986 -2.620 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.191 12.897 -1.317 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.072 11.570 -0.955 1.00 0.00 H +ATOM 13 HG2 MET A 1 12.028 11.010 -3.342 1.00 0.00 H +ATOM 14 HG3 MET A 1 13.175 12.315 -3.654 1.00 0.00 H +ATOM 15 HE1 MET A 1 15.386 9.104 -4.151 1.00 0.00 H +ATOM 16 HE2 MET A 1 14.869 10.629 -4.868 1.00 0.00 H +ATOM 17 HE3 MET A 1 13.698 9.333 -4.610 1.00 0.00 H +ATOM 18 N ALA A 2 9.589 12.680 -3.544 1.00 0.00 N +ATOM 19 CA ALA A 2 8.419 12.043 -4.102 1.00 0.00 C +ATOM 20 C ALA A 2 8.798 10.781 -4.824 1.00 0.00 C +ATOM 21 O ALA A 2 9.701 10.774 -5.672 1.00 0.00 O +ATOM 22 CB ALA A 2 7.661 12.980 -5.025 1.00 0.00 C +ATOM 23 H ALA A 2 10.145 13.282 -4.079 1.00 0.00 H +ATOM 24 HA ALA A 2 7.772 11.783 -3.277 1.00 0.00 H +ATOM 25 HB1 ALA A 2 8.287 13.249 -5.863 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.371 13.865 -4.481 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.776 12.474 -5.385 1.00 0.00 H +ATOM 28 N TYR A 3 8.133 9.728 -4.478 1.00 0.00 N +ATOM 29 CA TYR A 3 8.370 8.432 -5.068 1.00 0.00 C +ATOM 30 C TYR A 3 7.250 8.129 -6.044 1.00 0.00 C +ATOM 31 O TYR A 3 6.234 8.832 -6.065 1.00 0.00 O +ATOM 32 CB TYR A 3 8.411 7.331 -3.982 1.00 0.00 C +ATOM 33 CG TYR A 3 9.573 7.393 -2.987 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.932 8.573 -2.355 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.276 6.246 -2.649 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.945 8.617 -1.428 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.300 6.285 -1.719 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.629 7.471 -1.112 1.00 0.00 C +ATOM 39 OH TYR A 3 12.639 7.512 -0.166 1.00 0.00 O +ATOM 40 H TYR A 3 7.426 9.824 -3.805 1.00 0.00 H +ATOM 41 HA TYR A 3 9.315 8.458 -5.587 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.500 7.385 -3.404 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.445 6.372 -4.475 1.00 0.00 H +ATOM 44 HD1 TYR A 3 9.397 9.478 -2.604 1.00 0.00 H +ATOM 45 HD2 TYR A 3 10.018 5.312 -3.127 1.00 0.00 H +ATOM 46 HE1 TYR A 3 11.189 9.557 -0.957 1.00 0.00 H +ATOM 47 HE2 TYR A 3 11.832 5.384 -1.462 1.00 0.00 H +ATOM 48 HH TYR A 3 13.416 6.997 -0.454 1.00 0.00 H +ATOM 49 N PHE A 4 7.437 7.127 -6.851 1.00 0.00 N +ATOM 50 CA PHE A 4 6.412 6.676 -7.765 1.00 0.00 C +ATOM 51 C PHE A 4 5.479 5.749 -7.018 1.00 0.00 C +ATOM 52 O PHE A 4 5.881 5.132 -6.044 1.00 0.00 O +ATOM 53 CB PHE A 4 7.034 5.947 -8.965 1.00 0.00 C +ATOM 54 CG PHE A 4 7.879 6.818 -9.852 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.290 7.722 -10.722 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.263 6.724 -9.826 1.00 0.00 C +ATOM 57 CE1 PHE A 4 8.063 8.514 -11.547 1.00 0.00 C +ATOM 58 CE2 PHE A 4 10.040 7.513 -10.646 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.441 8.410 -11.508 1.00 0.00 C +ATOM 60 H PHE A 4 8.300 6.653 -6.833 1.00 0.00 H +ATOM 61 HA PHE A 4 5.860 7.539 -8.111 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.681 5.173 -8.581 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.267 5.482 -9.565 1.00 0.00 H +ATOM 64 HD1 PHE A 4 6.213 7.804 -10.751 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.732 6.023 -9.153 1.00 0.00 H +ATOM 66 HE1 PHE A 4 7.594 9.214 -12.222 1.00 0.00 H +ATOM 67 HE2 PHE A 4 11.116 7.429 -10.615 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.046 9.030 -12.151 1.00 0.00 H +ATOM 69 N LEU A 5 4.256 5.657 -7.448 1.00 0.00 N +ATOM 70 CA LEU A 5 3.289 4.815 -6.786 1.00 0.00 C +ATOM 71 C LEU A 5 2.692 3.864 -7.808 1.00 0.00 C +ATOM 72 O LEU A 5 2.178 4.299 -8.854 1.00 0.00 O +ATOM 73 CB LEU A 5 2.184 5.704 -6.130 1.00 0.00 C +ATOM 74 CG LEU A 5 1.214 5.069 -5.074 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.321 3.979 -5.642 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.975 4.550 -3.870 1.00 0.00 C +ATOM 77 H LEU A 5 3.978 6.163 -8.240 1.00 0.00 H +ATOM 78 HA LEU A 5 3.796 4.252 -6.018 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.684 6.534 -5.655 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.583 6.106 -6.932 1.00 0.00 H +ATOM 81 HG LEU A 5 0.557 5.852 -4.727 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.357 4.401 -6.370 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.228 3.513 -4.838 1.00 0.00 H +ATOM 84 HD13 LEU A 5 0.939 3.232 -6.119 1.00 0.00 H +ATOM 85 HD21 LEU A 5 1.275 4.138 -3.159 1.00 0.00 H +ATOM 86 HD22 LEU A 5 2.525 5.357 -3.409 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.657 3.775 -4.187 1.00 0.00 H +ATOM 88 N ASP A 6 2.782 2.595 -7.526 1.00 0.00 N +ATOM 89 CA ASP A 6 2.178 1.570 -8.335 1.00 0.00 C +ATOM 90 C ASP A 6 1.497 0.562 -7.473 1.00 0.00 C +ATOM 91 O ASP A 6 1.818 0.404 -6.290 1.00 0.00 O +ATOM 92 CB ASP A 6 3.168 0.854 -9.264 1.00 0.00 C +ATOM 93 CG ASP A 6 3.435 1.589 -10.545 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.579 1.521 -11.476 1.00 0.00 O +ATOM 95 OD2 ASP A 6 4.490 2.212 -10.679 1.00 0.00 O +ATOM 96 H ASP A 6 3.282 2.306 -6.727 1.00 0.00 H +ATOM 97 HA ASP A 6 1.429 2.057 -8.941 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.109 0.731 -8.750 1.00 0.00 H +ATOM 99 HB3 ASP A 6 2.773 -0.123 -9.503 1.00 0.00 H +ATOM 100 N PHE A 7 0.554 -0.098 -8.038 1.00 0.00 N +ATOM 101 CA PHE A 7 -0.149 -1.137 -7.365 1.00 0.00 C +ATOM 102 C PHE A 7 0.343 -2.448 -7.911 1.00 0.00 C +ATOM 103 O PHE A 7 0.521 -2.575 -9.136 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.662 -1.026 -7.620 1.00 0.00 C +ATOM 105 CG PHE A 7 -2.274 0.290 -7.222 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -2.706 0.502 -5.928 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.418 1.313 -8.150 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -3.268 1.707 -5.562 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.978 2.519 -7.789 1.00 0.00 C +ATOM 110 CZ PHE A 7 -3.404 2.717 -6.493 1.00 0.00 C +ATOM 111 H PHE A 7 0.320 0.113 -8.967 1.00 0.00 H +ATOM 112 HA PHE A 7 0.043 -1.071 -6.306 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.845 -1.163 -8.676 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -2.165 -1.811 -7.075 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -2.599 -0.286 -5.199 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.085 1.157 -9.165 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -3.602 1.861 -4.546 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.083 3.307 -8.520 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.843 3.661 -6.207 1.00 0.00 H +ATOM 120 N ASP A 8 0.613 -3.396 -7.034 1.00 0.00 N +ATOM 121 CA ASP A 8 0.947 -4.756 -7.456 1.00 0.00 C +ATOM 122 C ASP A 8 -0.267 -5.268 -8.178 1.00 0.00 C +ATOM 123 O ASP A 8 -1.377 -4.942 -7.770 1.00 0.00 O +ATOM 124 CB ASP A 8 1.213 -5.635 -6.226 1.00 0.00 C +ATOM 125 CG ASP A 8 1.597 -7.055 -6.546 1.00 0.00 C +ATOM 126 OD1 ASP A 8 0.705 -7.883 -6.858 1.00 0.00 O +ATOM 127 OD2 ASP A 8 2.798 -7.380 -6.450 1.00 0.00 O +ATOM 128 H ASP A 8 0.578 -3.214 -6.070 1.00 0.00 H +ATOM 129 HA ASP A 8 1.808 -4.735 -8.107 1.00 0.00 H +ATOM 130 HB2 ASP A 8 2.016 -5.199 -5.652 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.323 -5.651 -5.615 1.00 0.00 H +ATOM 132 N GLU A 9 -0.096 -6.024 -9.235 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.236 -6.470 -10.015 1.00 0.00 C +ATOM 134 C GLU A 9 -2.278 -7.230 -9.192 1.00 0.00 C +ATOM 135 O GLU A 9 -3.464 -7.121 -9.468 1.00 0.00 O +ATOM 136 CB GLU A 9 -0.836 -7.236 -11.261 1.00 0.00 C +ATOM 137 CG GLU A 9 0.021 -8.448 -11.020 1.00 0.00 C +ATOM 138 CD GLU A 9 0.228 -9.210 -12.283 1.00 0.00 C +ATOM 139 OE1 GLU A 9 0.993 -8.753 -13.146 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -0.412 -10.262 -12.461 1.00 0.00 O +ATOM 141 H GLU A 9 0.816 -6.272 -9.497 1.00 0.00 H +ATOM 142 HA GLU A 9 -1.725 -5.559 -10.328 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -1.733 -7.562 -11.768 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.299 -6.566 -11.916 1.00 0.00 H +ATOM 145 HG2 GLU A 9 0.980 -8.132 -10.638 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -0.468 -9.090 -10.302 1.00 0.00 H +ATOM 147 N ARG A 10 -1.853 -7.947 -8.152 1.00 0.00 N +ATOM 148 CA ARG A 10 -2.807 -8.635 -7.298 1.00 0.00 C +ATOM 149 C ARG A 10 -3.561 -7.635 -6.439 1.00 0.00 C +ATOM 150 O ARG A 10 -4.782 -7.747 -6.248 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.158 -9.714 -6.436 1.00 0.00 C +ATOM 152 CG ARG A 10 -1.729 -10.957 -7.196 1.00 0.00 C +ATOM 153 CD ARG A 10 -1.126 -11.980 -6.249 1.00 0.00 C +ATOM 154 NE ARG A 10 -0.838 -13.264 -6.909 1.00 0.00 N +ATOM 155 CZ ARG A 10 0.346 -13.887 -6.881 1.00 0.00 C +ATOM 156 NH1 ARG A 10 1.438 -13.224 -6.511 1.00 0.00 N +ATOM 157 NH2 ARG A 10 0.446 -15.143 -7.299 1.00 0.00 N +ATOM 158 H ARG A 10 -0.889 -7.976 -7.936 1.00 0.00 H +ATOM 159 HA ARG A 10 -3.518 -9.092 -7.967 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.283 -9.291 -5.966 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -2.859 -10.009 -5.668 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -2.587 -11.391 -7.686 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -0.994 -10.682 -7.937 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -0.214 -11.581 -5.835 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -1.828 -12.150 -5.446 1.00 0.00 H +ATOM 166 HE ARG A 10 -1.624 -13.697 -7.311 1.00 0.00 H +ATOM 167 HH11 ARG A 10 1.397 -12.251 -6.264 1.00 0.00 H +ATOM 168 HH12 ARG A 10 2.335 -13.664 -6.453 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -0.352 -15.644 -7.643 1.00 0.00 H +ATOM 170 HH22 ARG A 10 1.317 -15.642 -7.297 1.00 0.00 H +ATOM 171 N ALA A 11 -2.837 -6.646 -5.953 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.406 -5.581 -5.153 1.00 0.00 C +ATOM 173 C ALA A 11 -4.317 -4.703 -5.991 1.00 0.00 C +ATOM 174 O ALA A 11 -5.285 -4.175 -5.496 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.321 -4.747 -4.516 1.00 0.00 C +ATOM 176 H ALA A 11 -1.878 -6.620 -6.159 1.00 0.00 H +ATOM 177 HA ALA A 11 -3.991 -6.038 -4.369 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.733 -4.270 -5.287 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.684 -5.380 -3.916 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -2.771 -3.990 -3.890 1.00 0.00 H +ATOM 181 N LEU A 12 -4.000 -4.575 -7.273 1.00 0.00 N +ATOM 182 CA LEU A 12 -4.779 -3.754 -8.190 1.00 0.00 C +ATOM 183 C LEU A 12 -6.136 -4.386 -8.404 1.00 0.00 C +ATOM 184 O LEU A 12 -7.145 -3.697 -8.542 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.053 -3.597 -9.525 1.00 0.00 C +ATOM 186 CG LEU A 12 -4.722 -2.692 -10.569 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -4.854 -1.265 -10.056 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -3.941 -2.723 -11.868 1.00 0.00 C +ATOM 189 H LEU A 12 -3.196 -5.041 -7.597 1.00 0.00 H +ATOM 190 HA LEU A 12 -4.906 -2.783 -7.735 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -3.047 -3.250 -9.342 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -3.993 -4.586 -9.951 1.00 0.00 H +ATOM 193 HG LEU A 12 -5.717 -3.063 -10.764 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -5.317 -0.659 -10.821 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -3.877 -0.870 -9.822 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -5.471 -1.253 -9.169 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -2.940 -2.355 -11.697 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -4.436 -2.100 -12.598 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -3.893 -3.737 -12.236 1.00 0.00 H +ATOM 200 N LYS A 13 -6.151 -5.705 -8.408 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.379 -6.462 -8.528 1.00 0.00 C +ATOM 202 C LYS A 13 -8.250 -6.178 -7.322 1.00 0.00 C +ATOM 203 O LYS A 13 -9.444 -5.948 -7.456 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.069 -7.950 -8.624 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.225 -8.312 -9.829 1.00 0.00 C +ATOM 206 CD LYS A 13 -5.672 -9.711 -9.708 1.00 0.00 C +ATOM 207 CE LYS A 13 -4.705 -10.039 -10.842 1.00 0.00 C +ATOM 208 NZ LYS A 13 -5.347 -10.011 -12.176 1.00 0.00 N +ATOM 209 H LYS A 13 -5.297 -6.179 -8.330 1.00 0.00 H +ATOM 210 HA LYS A 13 -7.886 -6.140 -9.425 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -6.536 -8.248 -7.733 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -7.998 -8.496 -8.679 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -6.835 -8.253 -10.717 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -5.403 -7.614 -9.904 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.145 -9.765 -8.767 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -6.485 -10.422 -9.702 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -3.908 -9.310 -10.832 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -4.289 -11.019 -10.664 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -6.150 -10.670 -12.225 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -4.671 -10.327 -12.901 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -5.678 -9.067 -12.454 1.00 0.00 H +ATOM 222 N GLU A 14 -7.621 -6.150 -6.151 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.304 -5.843 -4.909 1.00 0.00 C +ATOM 224 C GLU A 14 -8.746 -4.371 -4.870 1.00 0.00 C +ATOM 225 O GLU A 14 -9.807 -4.052 -4.385 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.393 -6.147 -3.734 1.00 0.00 C +ATOM 227 CG GLU A 14 -6.928 -7.583 -3.692 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.073 -8.554 -3.591 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -8.721 -8.616 -2.524 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -8.360 -9.274 -4.582 1.00 0.00 O +ATOM 231 H GLU A 14 -6.664 -6.370 -6.110 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.170 -6.483 -4.852 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.525 -5.507 -3.796 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -7.923 -5.932 -2.818 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -6.390 -7.786 -4.606 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.267 -7.716 -2.851 1.00 0.00 H +ATOM 237 N TRP A 15 -7.921 -3.508 -5.403 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.188 -2.074 -5.490 1.00 0.00 C +ATOM 239 C TRP A 15 -9.452 -1.808 -6.321 1.00 0.00 C +ATOM 240 O TRP A 15 -10.309 -1.019 -5.932 1.00 0.00 O +ATOM 241 CB TRP A 15 -6.955 -1.395 -6.115 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.073 0.072 -6.370 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.345 0.670 -7.563 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.897 1.122 -5.421 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.363 2.038 -7.410 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.087 2.339 -6.105 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.598 1.152 -4.058 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.989 3.570 -5.470 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.500 2.372 -3.432 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.693 3.566 -4.135 1.00 0.00 C +ATOM 251 H TRP A 15 -7.056 -3.841 -5.728 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.339 -1.685 -4.492 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.105 -1.542 -5.466 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -6.754 -1.879 -7.059 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -7.517 0.118 -8.477 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.539 2.687 -8.127 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.445 0.241 -3.500 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -7.137 4.500 -6.000 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -6.267 2.415 -2.378 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.605 4.497 -3.595 1.00 0.00 H +ATOM 261 N ARG A 16 -9.560 -2.488 -7.450 1.00 0.00 N +ATOM 262 CA ARG A 16 -10.726 -2.359 -8.330 1.00 0.00 C +ATOM 263 C ARG A 16 -11.931 -3.097 -7.725 1.00 0.00 C +ATOM 264 O ARG A 16 -13.083 -2.844 -8.074 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.394 -2.897 -9.724 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.223 -2.181 -10.393 1.00 0.00 C +ATOM 267 CD ARG A 16 -8.860 -2.815 -11.727 1.00 0.00 C +ATOM 268 NE ARG A 16 -9.926 -2.665 -12.725 1.00 0.00 N +ATOM 269 CZ ARG A 16 -10.047 -3.373 -13.860 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -9.202 -4.367 -14.128 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -11.024 -3.082 -14.712 1.00 0.00 N +ATOM 272 H ARG A 16 -8.820 -3.085 -7.700 1.00 0.00 H +ATOM 273 HA ARG A 16 -10.965 -1.308 -8.398 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.146 -3.944 -9.639 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.263 -2.790 -10.356 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -9.493 -1.148 -10.559 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.369 -2.227 -9.734 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -7.956 -2.360 -12.101 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -8.692 -3.866 -11.552 1.00 0.00 H +ATOM 280 HE ARG A 16 -10.578 -1.958 -12.521 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.458 -4.614 -13.504 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -9.273 -4.940 -14.951 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -11.679 -2.342 -14.534 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -11.164 -3.583 -15.570 1.00 0.00 H +ATOM 285 N LYS A 17 -11.628 -4.021 -6.844 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.602 -4.807 -6.093 1.00 0.00 C +ATOM 287 C LYS A 17 -13.233 -3.951 -4.989 1.00 0.00 C +ATOM 288 O LYS A 17 -14.353 -4.219 -4.542 1.00 0.00 O +ATOM 289 CB LYS A 17 -11.863 -6.004 -5.504 1.00 0.00 C +ATOM 290 CG LYS A 17 -12.581 -6.848 -4.483 1.00 0.00 C +ATOM 291 CD LYS A 17 -11.617 -7.891 -3.974 1.00 0.00 C +ATOM 292 CE LYS A 17 -12.156 -8.699 -2.828 1.00 0.00 C +ATOM 293 NZ LYS A 17 -11.161 -9.690 -2.375 1.00 0.00 N +ATOM 294 H LYS A 17 -10.677 -4.200 -6.688 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.367 -5.160 -6.768 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -11.571 -6.656 -6.312 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -10.965 -5.615 -5.046 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -12.913 -6.222 -3.668 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -13.423 -7.338 -4.946 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -11.381 -8.565 -4.782 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -10.711 -7.396 -3.656 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -12.396 -8.034 -2.010 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -13.047 -9.219 -3.147 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -11.459 -10.154 -1.493 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -10.228 -9.233 -2.246 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -11.016 -10.417 -3.104 1.00 0.00 H +ATOM 307 N LEU A 18 -12.511 -2.938 -4.549 1.00 0.00 N +ATOM 308 CA LEU A 18 -13.011 -1.995 -3.575 1.00 0.00 C +ATOM 309 C LEU A 18 -14.121 -1.160 -4.176 1.00 0.00 C +ATOM 310 O LEU A 18 -14.334 -1.169 -5.396 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.884 -1.080 -3.066 1.00 0.00 C +ATOM 312 CG LEU A 18 -11.204 -1.450 -1.736 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.765 -2.895 -1.690 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -10.022 -0.544 -1.514 1.00 0.00 C +ATOM 315 H LEU A 18 -11.602 -2.809 -4.895 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.406 -2.556 -2.743 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -11.121 -1.043 -3.829 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -12.296 -0.088 -2.965 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.885 -1.289 -0.918 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -10.063 -3.086 -2.488 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -11.634 -3.523 -1.816 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.301 -3.104 -0.738 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.317 -0.665 -2.322 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -9.549 -0.791 -0.575 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -10.370 0.479 -1.489 1.00 0.00 H +ATOM 326 N GLY A 19 -14.819 -0.441 -3.337 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.899 0.398 -3.811 1.00 0.00 C +ATOM 328 C GLY A 19 -15.369 1.682 -4.402 1.00 0.00 C +ATOM 329 O GLY A 19 -14.376 1.681 -5.110 1.00 0.00 O +ATOM 330 H GLY A 19 -14.582 -0.484 -2.385 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.455 -0.137 -4.567 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.559 0.639 -2.991 1.00 0.00 H +ATOM 333 N SER A 20 -16.001 2.767 -4.131 1.00 0.00 N +ATOM 334 CA SER A 20 -15.499 4.015 -4.610 1.00 0.00 C +ATOM 335 C SER A 20 -14.899 4.780 -3.448 1.00 0.00 C +ATOM 336 O SER A 20 -13.694 4.997 -3.394 1.00 0.00 O +ATOM 337 CB SER A 20 -16.613 4.830 -5.305 1.00 0.00 C +ATOM 338 OG SER A 20 -16.093 6.009 -5.914 1.00 0.00 O +ATOM 339 H SER A 20 -16.837 2.727 -3.619 1.00 0.00 H +ATOM 340 HA SER A 20 -14.718 3.802 -5.325 1.00 0.00 H +ATOM 341 HB2 SER A 20 -17.081 4.226 -6.068 1.00 0.00 H +ATOM 342 HB3 SER A 20 -17.354 5.114 -4.573 1.00 0.00 H +ATOM 343 HG SER A 20 -15.880 6.654 -5.210 1.00 0.00 H +ATOM 344 N THR A 21 -15.741 5.059 -2.476 1.00 0.00 N +ATOM 345 CA THR A 21 -15.437 5.895 -1.325 1.00 0.00 C +ATOM 346 C THR A 21 -14.157 5.464 -0.587 1.00 0.00 C +ATOM 347 O THR A 21 -13.329 6.307 -0.224 1.00 0.00 O +ATOM 348 CB THR A 21 -16.631 5.864 -0.353 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.835 6.125 -1.094 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.488 6.924 0.726 1.00 0.00 C +ATOM 351 H THR A 21 -16.642 4.686 -2.534 1.00 0.00 H +ATOM 352 HA THR A 21 -15.323 6.911 -1.669 1.00 0.00 H +ATOM 353 HB THR A 21 -16.688 4.887 0.102 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.732 7.023 -1.446 1.00 0.00 H +ATOM 355 HG21 THR A 21 -17.323 6.858 1.408 1.00 0.00 H +ATOM 356 HG22 THR A 21 -16.479 7.901 0.267 1.00 0.00 H +ATOM 357 HG23 THR A 21 -15.566 6.769 1.267 1.00 0.00 H +ATOM 358 N VAL A 22 -13.986 4.166 -0.389 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.827 3.670 0.331 1.00 0.00 C +ATOM 360 C VAL A 22 -11.544 3.916 -0.456 1.00 0.00 C +ATOM 361 O VAL A 22 -10.583 4.472 0.070 1.00 0.00 O +ATOM 362 CB VAL A 22 -12.950 2.160 0.617 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -11.726 1.663 1.353 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.205 1.863 1.414 1.00 0.00 C +ATOM 365 H VAL A 22 -14.658 3.539 -0.725 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.769 4.193 1.274 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.012 1.642 -0.328 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -11.825 0.605 1.547 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -11.630 2.193 2.290 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -10.850 1.837 0.748 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -15.068 2.193 0.855 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -14.162 2.378 2.361 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.275 0.799 1.585 1.00 0.00 H +ATOM 374 N ARG A 23 -11.563 3.562 -1.722 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.401 3.731 -2.555 1.00 0.00 C +ATOM 376 C ARG A 23 -10.086 5.186 -2.836 1.00 0.00 C +ATOM 377 O ARG A 23 -8.930 5.543 -2.959 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.389 2.873 -3.800 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.611 2.939 -4.658 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.241 2.461 -6.041 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.395 2.200 -6.893 1.00 0.00 N +ATOM 382 CZ ARG A 23 -12.347 2.131 -8.227 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -11.249 2.492 -8.880 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.400 1.716 -8.909 1.00 0.00 N +ATOM 385 H ARG A 23 -12.384 3.200 -2.107 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.594 3.404 -1.916 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.545 3.152 -4.410 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.265 1.840 -3.500 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.326 2.252 -4.226 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -12.045 3.931 -4.662 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.622 3.225 -6.489 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -10.661 1.555 -5.943 1.00 0.00 H +ATOM 393 HE ARG A 23 -13.220 1.989 -6.390 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -10.426 2.826 -8.416 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -11.197 2.447 -9.880 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -14.253 1.437 -8.461 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -13.385 1.644 -9.911 1.00 0.00 H +ATOM 398 N GLU A 24 -11.120 6.013 -2.945 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.947 7.453 -3.124 1.00 0.00 C +ATOM 400 C GLU A 24 -10.100 8.014 -1.994 1.00 0.00 C +ATOM 401 O GLU A 24 -9.133 8.741 -2.226 1.00 0.00 O +ATOM 402 CB GLU A 24 -12.311 8.145 -3.115 1.00 0.00 C +ATOM 403 CG GLU A 24 -13.120 7.961 -4.382 1.00 0.00 C +ATOM 404 CD GLU A 24 -14.486 8.586 -4.289 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -14.590 9.834 -4.332 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -15.483 7.846 -4.184 1.00 0.00 O +ATOM 407 H GLU A 24 -12.035 5.653 -2.928 1.00 0.00 H +ATOM 408 HA GLU A 24 -10.463 7.634 -4.071 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.877 7.703 -2.307 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -12.199 9.196 -2.900 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -12.584 8.416 -5.203 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -13.234 6.904 -4.571 1.00 0.00 H +ATOM 413 N GLN A 25 -10.429 7.610 -0.789 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.711 8.055 0.393 1.00 0.00 C +ATOM 415 C GLN A 25 -8.308 7.440 0.446 1.00 0.00 C +ATOM 416 O GLN A 25 -7.341 8.116 0.802 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.517 7.750 1.657 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.812 8.542 1.749 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.723 8.072 2.856 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -12.650 8.541 4.003 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.592 7.164 2.523 1.00 0.00 N +ATOM 422 H GLN A 25 -11.179 6.980 -0.716 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.595 9.125 0.302 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.751 6.697 1.690 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.913 8.012 2.512 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.564 9.573 1.944 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -12.336 8.467 0.807 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.560 6.882 1.579 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -14.228 6.828 3.187 1.00 0.00 H +ATOM 430 N LEU A 26 -8.199 6.174 0.057 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.908 5.482 0.024 1.00 0.00 C +ATOM 432 C LEU A 26 -5.956 6.129 -0.978 1.00 0.00 C +ATOM 433 O LEU A 26 -4.790 6.342 -0.671 1.00 0.00 O +ATOM 434 CB LEU A 26 -7.076 3.999 -0.305 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.773 3.125 0.749 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.950 1.723 0.221 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.964 3.086 2.034 1.00 0.00 C +ATOM 438 H LEU A 26 -9.011 5.691 -0.207 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.469 5.573 1.006 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.634 3.945 -1.227 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -6.092 3.592 -0.483 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.757 3.512 0.972 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -6.985 1.292 -0.002 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.547 1.751 -0.679 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.449 1.122 0.965 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -5.983 2.683 1.827 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -7.463 2.452 2.751 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -6.865 4.082 2.439 1.00 0.00 H +ATOM 449 N LYS A 27 -6.469 6.456 -2.162 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.679 7.098 -3.208 1.00 0.00 C +ATOM 451 C LYS A 27 -5.112 8.422 -2.707 1.00 0.00 C +ATOM 452 O LYS A 27 -3.947 8.748 -2.944 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.539 7.362 -4.439 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.764 7.985 -5.593 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.674 8.437 -6.722 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.480 9.667 -6.324 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.420 10.065 -7.378 1.00 0.00 N +ATOM 458 H LYS A 27 -7.410 6.235 -2.351 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.866 6.441 -3.480 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.956 6.421 -4.771 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.345 8.021 -4.155 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.247 8.846 -5.196 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -5.048 7.266 -5.965 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -6.074 8.675 -7.588 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.356 7.636 -6.963 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -8.039 9.458 -5.425 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.792 10.481 -6.140 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -7.939 10.209 -8.288 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -8.889 10.964 -7.149 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -9.153 9.344 -7.518 1.00 0.00 H +ATOM 471 N LYS A 28 -5.947 9.172 -2.019 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.551 10.446 -1.451 1.00 0.00 C +ATOM 473 C LYS A 28 -4.455 10.265 -0.414 1.00 0.00 C +ATOM 474 O LYS A 28 -3.523 11.060 -0.345 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.748 11.185 -0.879 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.775 11.522 -1.934 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.953 12.255 -1.357 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.984 12.517 -2.420 1.00 0.00 C +ATOM 479 NZ LYS A 28 -11.137 13.283 -1.914 1.00 0.00 N +ATOM 480 H LYS A 28 -6.866 8.846 -1.907 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.152 11.023 -2.272 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -7.216 10.570 -0.124 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.410 12.108 -0.432 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.313 12.141 -2.689 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -8.118 10.602 -2.386 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.393 11.656 -0.573 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.612 13.197 -0.955 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -9.511 13.077 -3.212 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.323 11.566 -2.805 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -11.580 12.811 -1.101 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -11.865 13.347 -2.655 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -10.878 14.249 -1.630 1.00 0.00 H +ATOM 493 N LYS A 29 -4.550 9.193 0.356 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.517 8.844 1.323 1.00 0.00 C +ATOM 495 C LYS A 29 -2.205 8.514 0.642 1.00 0.00 C +ATOM 496 O LYS A 29 -1.136 8.868 1.125 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.955 7.695 2.229 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.455 8.151 3.583 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.655 9.061 3.486 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.952 9.675 4.828 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.860 10.583 5.263 1.00 0.00 N +ATOM 502 H LYS A 29 -5.349 8.628 0.274 1.00 0.00 H +ATOM 503 HA LYS A 29 -3.359 9.717 1.937 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.752 7.153 1.742 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -3.118 7.030 2.380 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.738 7.286 4.163 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.658 8.674 4.087 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -5.449 9.845 2.771 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.509 8.487 3.160 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.894 10.200 4.805 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -6.001 8.848 5.524 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -3.996 10.048 5.477 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -5.121 11.126 6.110 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.622 11.263 4.506 1.00 0.00 H +ATOM 515 N LEU A 30 -2.296 7.863 -0.482 1.00 0.00 N +ATOM 516 CA LEU A 30 -1.132 7.498 -1.251 1.00 0.00 C +ATOM 517 C LEU A 30 -0.459 8.737 -1.840 1.00 0.00 C +ATOM 518 O LEU A 30 0.757 8.894 -1.748 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.521 6.518 -2.357 1.00 0.00 C +ATOM 520 CG LEU A 30 -2.168 5.211 -1.884 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.590 4.359 -3.061 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.225 4.439 -0.971 1.00 0.00 C +ATOM 523 H LEU A 30 -3.189 7.600 -0.798 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.432 7.010 -0.590 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.211 7.017 -3.021 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.630 6.270 -2.914 1.00 0.00 H +ATOM 527 HG LEU A 30 -3.058 5.452 -1.321 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -1.726 4.119 -3.661 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -3.304 4.902 -3.662 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -3.042 3.447 -2.700 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -0.303 4.234 -1.494 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -1.691 3.509 -0.682 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -1.020 5.026 -0.087 1.00 0.00 H +ATOM 534 N VAL A 31 -1.251 9.633 -2.405 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.696 10.820 -3.031 1.00 0.00 C +ATOM 536 C VAL A 31 -0.086 11.786 -1.990 1.00 0.00 C +ATOM 537 O VAL A 31 0.935 12.420 -2.261 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.713 11.544 -3.984 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -2.858 12.192 -3.235 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -1.014 12.550 -4.885 1.00 0.00 C +ATOM 541 H VAL A 31 -2.221 9.472 -2.407 1.00 0.00 H +ATOM 542 HA VAL A 31 0.132 10.462 -3.625 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.147 10.784 -4.617 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -2.476 12.982 -2.606 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -3.313 11.444 -2.605 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -3.584 12.588 -3.929 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -0.512 13.291 -4.280 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -1.758 13.034 -5.502 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -0.298 12.041 -5.512 1.00 0.00 H +ATOM 550 N GLU A 32 -0.698 11.898 -0.804 1.00 0.00 N +ATOM 551 CA GLU A 32 -0.137 12.743 0.251 1.00 0.00 C +ATOM 552 C GLU A 32 1.172 12.145 0.794 1.00 0.00 C +ATOM 553 O GLU A 32 2.192 12.842 0.918 1.00 0.00 O +ATOM 554 CB GLU A 32 -1.149 13.012 1.403 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.647 11.761 2.107 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.504 12.026 3.320 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -3.747 12.125 3.204 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -1.960 12.102 4.433 1.00 0.00 O +ATOM 559 H GLU A 32 -1.543 11.421 -0.642 1.00 0.00 H +ATOM 560 HA GLU A 32 0.110 13.682 -0.224 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.685 13.646 2.142 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -2.005 13.527 0.992 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -2.227 11.198 1.392 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.789 11.174 2.399 1.00 0.00 H +ATOM 565 N VAL A 33 1.155 10.836 1.039 1.00 0.00 N +ATOM 566 CA VAL A 33 2.267 10.140 1.655 1.00 0.00 C +ATOM 567 C VAL A 33 3.525 10.205 0.785 1.00 0.00 C +ATOM 568 O VAL A 33 4.617 10.247 1.299 1.00 0.00 O +ATOM 569 CB VAL A 33 1.923 8.672 2.074 1.00 0.00 C +ATOM 570 CG1 VAL A 33 1.944 7.689 0.912 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.799 8.212 3.222 1.00 0.00 C +ATOM 572 H VAL A 33 0.355 10.317 0.806 1.00 0.00 H +ATOM 573 HA VAL A 33 2.492 10.704 2.549 1.00 0.00 H +ATOM 574 HB VAL A 33 0.903 8.692 2.431 1.00 0.00 H +ATOM 575 HG11 VAL A 33 2.936 7.659 0.486 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.246 8.018 0.157 1.00 0.00 H +ATOM 577 HG13 VAL A 33 1.668 6.704 1.260 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.587 7.179 3.458 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.601 8.826 4.089 1.00 0.00 H +ATOM 580 HG23 VAL A 33 3.834 8.320 2.941 1.00 0.00 H +ATOM 581 N LEU A 34 3.338 10.264 -0.535 1.00 0.00 N +ATOM 582 CA LEU A 34 4.435 10.283 -1.513 1.00 0.00 C +ATOM 583 C LEU A 34 5.472 11.370 -1.282 1.00 0.00 C +ATOM 584 O LEU A 34 6.595 11.202 -1.725 1.00 0.00 O +ATOM 585 CB LEU A 34 3.930 10.376 -2.954 1.00 0.00 C +ATOM 586 CG LEU A 34 3.221 9.155 -3.522 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.774 9.439 -4.946 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.138 7.935 -3.482 1.00 0.00 C +ATOM 589 H LEU A 34 2.414 10.268 -0.864 1.00 0.00 H +ATOM 590 HA LEU A 34 4.962 9.344 -1.418 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.245 11.210 -3.008 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.776 10.598 -3.587 1.00 0.00 H +ATOM 593 HG LEU A 34 2.342 8.945 -2.930 1.00 0.00 H +ATOM 594 HD11 LEU A 34 3.640 9.664 -5.552 1.00 0.00 H +ATOM 595 HD12 LEU A 34 2.111 10.291 -4.947 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.260 8.580 -5.350 1.00 0.00 H +ATOM 597 HD21 LEU A 34 3.634 7.091 -3.925 1.00 0.00 H +ATOM 598 HD22 LEU A 34 4.384 7.698 -2.458 1.00 0.00 H +ATOM 599 HD23 LEU A 34 5.041 8.146 -4.035 1.00 0.00 H +ATOM 600 N GLU A 35 5.114 12.483 -0.629 1.00 0.00 N +ATOM 601 CA GLU A 35 6.118 13.530 -0.372 1.00 0.00 C +ATOM 602 C GLU A 35 7.230 13.018 0.569 1.00 0.00 C +ATOM 603 O GLU A 35 8.367 13.485 0.518 1.00 0.00 O +ATOM 604 CB GLU A 35 5.500 14.804 0.198 1.00 0.00 C +ATOM 605 CG GLU A 35 4.734 14.593 1.483 1.00 0.00 C +ATOM 606 CD GLU A 35 4.384 15.877 2.155 1.00 0.00 C +ATOM 607 OE1 GLU A 35 3.397 16.528 1.768 1.00 0.00 O +ATOM 608 OE2 GLU A 35 5.093 16.250 3.109 1.00 0.00 O +ATOM 609 H GLU A 35 4.187 12.600 -0.320 1.00 0.00 H +ATOM 610 HA GLU A 35 6.579 13.754 -1.324 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.292 15.510 0.394 1.00 0.00 H +ATOM 612 HB3 GLU A 35 4.830 15.229 -0.534 1.00 0.00 H +ATOM 613 HG2 GLU A 35 3.822 14.059 1.260 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.341 14.001 2.153 1.00 0.00 H +ATOM 615 N SER A 36 6.876 12.078 1.426 1.00 0.00 N +ATOM 616 CA SER A 36 7.793 11.433 2.352 1.00 0.00 C +ATOM 617 C SER A 36 7.176 10.112 2.803 1.00 0.00 C +ATOM 618 O SER A 36 6.583 10.044 3.851 1.00 0.00 O +ATOM 619 CB SER A 36 8.130 12.341 3.572 1.00 0.00 C +ATOM 620 OG SER A 36 8.738 13.584 3.181 1.00 0.00 O +ATOM 621 H SER A 36 5.946 11.760 1.426 1.00 0.00 H +ATOM 622 HA SER A 36 8.695 11.165 1.832 1.00 0.00 H +ATOM 623 HB2 SER A 36 7.212 12.568 4.090 1.00 0.00 H +ATOM 624 HB3 SER A 36 8.799 11.815 4.236 1.00 0.00 H +ATOM 625 HG SER A 36 8.983 13.472 2.250 1.00 0.00 H +ATOM 626 N PRO A 37 7.230 9.056 1.944 1.00 0.00 N +ATOM 627 CA PRO A 37 6.600 7.763 2.237 1.00 0.00 C +ATOM 628 C PRO A 37 7.472 6.838 3.064 1.00 0.00 C +ATOM 629 O PRO A 37 7.057 5.745 3.436 1.00 0.00 O +ATOM 630 CB PRO A 37 6.351 7.180 0.851 1.00 0.00 C +ATOM 631 CG PRO A 37 7.457 7.721 0.014 1.00 0.00 C +ATOM 632 CD PRO A 37 7.827 9.072 0.592 1.00 0.00 C +ATOM 633 HA PRO A 37 5.661 7.888 2.747 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.376 6.101 0.902 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.388 7.507 0.487 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.307 7.054 0.053 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.123 7.831 -1.007 1.00 0.00 H +ATOM 638 HD2 PRO A 37 8.899 9.198 0.641 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.377 9.859 0.004 1.00 0.00 H +ATOM 640 N ARG A 38 8.654 7.289 3.380 1.00 0.00 N +ATOM 641 CA ARG A 38 9.598 6.519 4.174 1.00 0.00 C +ATOM 642 C ARG A 38 9.313 6.685 5.681 1.00 0.00 C +ATOM 643 O ARG A 38 10.210 6.657 6.507 1.00 0.00 O +ATOM 644 CB ARG A 38 11.060 6.891 3.771 1.00 0.00 C +ATOM 645 CG ARG A 38 11.426 8.393 3.786 1.00 0.00 C +ATOM 646 CD ARG A 38 11.654 8.944 5.183 1.00 0.00 C +ATOM 647 NE ARG A 38 12.821 8.308 5.824 1.00 0.00 N +ATOM 648 CZ ARG A 38 13.019 8.159 7.153 1.00 0.00 C +ATOM 649 NH1 ARG A 38 12.075 8.518 8.040 1.00 0.00 N +ATOM 650 NH2 ARG A 38 14.153 7.621 7.582 1.00 0.00 N +ATOM 651 H ARG A 38 8.886 8.185 3.061 1.00 0.00 H +ATOM 652 HA ARG A 38 9.424 5.481 3.929 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.735 6.390 4.447 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.237 6.512 2.775 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.342 8.517 3.229 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.638 8.951 3.302 1.00 0.00 H +ATOM 657 HD2 ARG A 38 11.806 10.012 5.114 1.00 0.00 H +ATOM 658 HD3 ARG A 38 10.771 8.738 5.770 1.00 0.00 H +ATOM 659 HE ARG A 38 13.508 7.992 5.193 1.00 0.00 H +ATOM 660 HH11 ARG A 38 11.199 8.908 7.740 1.00 0.00 H +ATOM 661 HH12 ARG A 38 12.190 8.400 9.037 1.00 0.00 H +ATOM 662 HH21 ARG A 38 14.866 7.317 6.944 1.00 0.00 H +ATOM 663 HH22 ARG A 38 14.371 7.496 8.553 1.00 0.00 H +ATOM 664 N ILE A 39 8.047 6.679 6.024 1.00 0.00 N +ATOM 665 CA ILE A 39 7.614 6.955 7.372 1.00 0.00 C +ATOM 666 C ILE A 39 7.754 5.716 8.235 1.00 0.00 C +ATOM 667 O ILE A 39 6.938 4.794 8.202 1.00 0.00 O +ATOM 668 CB ILE A 39 6.154 7.489 7.394 1.00 0.00 C +ATOM 669 CG1 ILE A 39 6.094 8.750 6.535 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.698 7.787 8.827 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.721 9.338 6.327 1.00 0.00 C +ATOM 672 H ILE A 39 7.389 6.456 5.330 1.00 0.00 H +ATOM 673 HA ILE A 39 8.265 7.720 7.766 1.00 0.00 H +ATOM 674 HB ILE A 39 5.500 6.745 6.965 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.700 9.515 6.996 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.510 8.523 5.565 1.00 0.00 H +ATOM 677 HG21 ILE A 39 5.760 6.885 9.419 1.00 0.00 H +ATOM 678 HG22 ILE A 39 4.676 8.138 8.814 1.00 0.00 H +ATOM 679 HG23 ILE A 39 6.331 8.546 9.258 1.00 0.00 H +ATOM 680 HD11 ILE A 39 4.072 8.591 5.894 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.841 10.148 5.620 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.320 9.705 7.260 1.00 0.00 H +ATOM 683 N GLU A 40 8.824 5.739 8.993 1.00 0.00 N +ATOM 684 CA GLU A 40 9.275 4.687 9.896 1.00 0.00 C +ATOM 685 C GLU A 40 8.203 4.289 10.914 1.00 0.00 C +ATOM 686 O GLU A 40 8.150 3.141 11.363 1.00 0.00 O +ATOM 687 CB GLU A 40 10.545 5.191 10.584 1.00 0.00 C +ATOM 688 CG GLU A 40 10.360 6.550 11.257 1.00 0.00 C +ATOM 689 CD GLU A 40 11.648 7.197 11.662 1.00 0.00 C +ATOM 690 OE1 GLU A 40 12.133 6.946 12.787 1.00 0.00 O +ATOM 691 OE2 GLU A 40 12.197 7.992 10.861 1.00 0.00 O +ATOM 692 H GLU A 40 9.384 6.541 8.925 1.00 0.00 H +ATOM 693 HA GLU A 40 9.538 3.823 9.304 1.00 0.00 H +ATOM 694 HB2 GLU A 40 10.845 4.472 11.332 1.00 0.00 H +ATOM 695 HB3 GLU A 40 11.331 5.283 9.849 1.00 0.00 H +ATOM 696 HG2 GLU A 40 9.858 7.210 10.566 1.00 0.00 H +ATOM 697 HG3 GLU A 40 9.741 6.420 12.132 1.00 0.00 H +ATOM 698 N ALA A 41 7.330 5.222 11.231 1.00 0.00 N +ATOM 699 CA ALA A 41 6.239 4.992 12.168 1.00 0.00 C +ATOM 700 C ALA A 41 5.165 4.088 11.552 1.00 0.00 C +ATOM 701 O ALA A 41 4.359 3.478 12.263 1.00 0.00 O +ATOM 702 CB ALA A 41 5.634 6.316 12.595 1.00 0.00 C +ATOM 703 H ALA A 41 7.443 6.104 10.820 1.00 0.00 H +ATOM 704 HA ALA A 41 6.647 4.504 13.040 1.00 0.00 H +ATOM 705 HB1 ALA A 41 5.225 6.820 11.731 1.00 0.00 H +ATOM 706 HB2 ALA A 41 6.396 6.933 13.047 1.00 0.00 H +ATOM 707 HB3 ALA A 41 4.845 6.131 13.309 1.00 0.00 H +ATOM 708 N ASN A 42 5.168 3.994 10.232 1.00 0.00 N +ATOM 709 CA ASN A 42 4.198 3.172 9.516 1.00 0.00 C +ATOM 710 C ASN A 42 4.866 1.970 8.893 1.00 0.00 C +ATOM 711 O ASN A 42 4.205 1.169 8.233 1.00 0.00 O +ATOM 712 CB ASN A 42 3.450 3.976 8.421 1.00 0.00 C +ATOM 713 CG ASN A 42 2.531 5.058 8.968 1.00 0.00 C +ATOM 714 OD1 ASN A 42 2.006 4.946 10.075 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.316 6.107 8.200 1.00 0.00 N +ATOM 716 H ASN A 42 5.850 4.470 9.708 1.00 0.00 H +ATOM 717 HA ASN A 42 3.474 2.818 10.235 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.176 4.452 7.781 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.860 3.291 7.830 1.00 0.00 H +ATOM 720 HD21 ASN A 42 2.748 6.142 7.321 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.718 6.814 8.529 1.00 0.00 H +ATOM 722 N LYS A 43 6.168 1.829 9.105 1.00 0.00 N +ATOM 723 CA LYS A 43 6.906 0.777 8.539 1.00 0.00 C +ATOM 724 C LYS A 43 6.713 -0.491 9.345 1.00 0.00 C +ATOM 725 O LYS A 43 6.748 -0.473 10.586 1.00 0.00 O +ATOM 726 CB LYS A 43 8.372 1.164 8.474 1.00 0.00 C +ATOM 727 CG LYS A 43 9.155 0.243 7.616 1.00 0.00 C +ATOM 728 CD LYS A 43 10.582 0.724 7.372 1.00 0.00 C +ATOM 729 CE LYS A 43 11.242 -0.110 6.274 1.00 0.00 C +ATOM 730 NZ LYS A 43 12.572 0.402 5.869 1.00 0.00 N +ATOM 731 H LYS A 43 6.702 2.426 9.659 1.00 0.00 H +ATOM 732 HA LYS A 43 6.552 0.618 7.532 1.00 0.00 H +ATOM 733 HB2 LYS A 43 8.458 2.164 8.078 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.777 1.126 9.474 1.00 0.00 H +ATOM 735 HG2 LYS A 43 9.136 -0.708 8.122 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.594 0.201 6.695 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.548 1.759 7.066 1.00 0.00 H +ATOM 738 HD3 LYS A 43 11.151 0.631 8.285 1.00 0.00 H +ATOM 739 HE2 LYS A 43 11.349 -1.127 6.623 1.00 0.00 H +ATOM 740 HE3 LYS A 43 10.585 -0.093 5.418 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 12.915 -0.108 5.024 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 13.281 0.270 6.622 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.544 1.417 5.641 1.00 0.00 H +ATOM 744 N LEU A 44 6.509 -1.559 8.645 1.00 0.00 N +ATOM 745 CA LEU A 44 6.281 -2.848 9.229 1.00 0.00 C +ATOM 746 C LEU A 44 7.596 -3.481 9.581 1.00 0.00 C +ATOM 747 O LEU A 44 8.467 -3.664 8.720 1.00 0.00 O +ATOM 748 CB LEU A 44 5.531 -3.757 8.264 1.00 0.00 C +ATOM 749 CG LEU A 44 4.164 -3.288 7.794 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.534 -4.330 6.899 1.00 0.00 C +ATOM 751 CD2 LEU A 44 3.268 -2.998 8.966 1.00 0.00 C +ATOM 752 H LEU A 44 6.546 -1.472 7.665 1.00 0.00 H +ATOM 753 HA LEU A 44 5.689 -2.723 10.124 1.00 0.00 H +ATOM 754 HB2 LEU A 44 6.148 -3.866 7.385 1.00 0.00 H +ATOM 755 HB3 LEU A 44 5.416 -4.725 8.729 1.00 0.00 H +ATOM 756 HG LEU A 44 4.282 -2.381 7.220 1.00 0.00 H +ATOM 757 HD11 LEU A 44 3.441 -5.259 7.442 1.00 0.00 H +ATOM 758 HD12 LEU A 44 4.154 -4.481 6.028 1.00 0.00 H +ATOM 759 HD13 LEU A 44 2.555 -3.995 6.591 1.00 0.00 H +ATOM 760 HD21 LEU A 44 2.295 -2.731 8.582 1.00 0.00 H +ATOM 761 HD22 LEU A 44 3.673 -2.170 9.531 1.00 0.00 H +ATOM 762 HD23 LEU A 44 3.189 -3.872 9.593 1.00 0.00 H +ATOM 763 N ARG A 45 7.741 -3.815 10.817 1.00 0.00 N +ATOM 764 CA ARG A 45 8.937 -4.398 11.301 1.00 0.00 C +ATOM 765 C ARG A 45 8.845 -5.902 11.162 1.00 0.00 C +ATOM 766 O ARG A 45 7.923 -6.538 11.690 1.00 0.00 O +ATOM 767 CB ARG A 45 9.174 -3.955 12.736 1.00 0.00 C +ATOM 768 CG ARG A 45 9.326 -2.443 12.857 1.00 0.00 C +ATOM 769 CD ARG A 45 9.581 -1.996 14.280 1.00 0.00 C +ATOM 770 NE ARG A 45 9.724 -0.529 14.369 1.00 0.00 N +ATOM 771 CZ ARG A 45 10.823 0.122 14.811 1.00 0.00 C +ATOM 772 NH1 ARG A 45 11.961 -0.539 15.039 1.00 0.00 N +ATOM 773 NH2 ARG A 45 10.797 1.441 14.966 1.00 0.00 N +ATOM 774 H ARG A 45 7.001 -3.688 11.448 1.00 0.00 H +ATOM 775 HA ARG A 45 9.748 -4.043 10.682 1.00 0.00 H +ATOM 776 HB2 ARG A 45 8.336 -4.271 13.342 1.00 0.00 H +ATOM 777 HB3 ARG A 45 10.074 -4.425 13.098 1.00 0.00 H +ATOM 778 HG2 ARG A 45 10.159 -2.128 12.246 1.00 0.00 H +ATOM 779 HG3 ARG A 45 8.423 -1.972 12.496 1.00 0.00 H +ATOM 780 HD2 ARG A 45 8.739 -2.300 14.883 1.00 0.00 H +ATOM 781 HD3 ARG A 45 10.478 -2.464 14.657 1.00 0.00 H +ATOM 782 HE ARG A 45 8.914 -0.030 14.110 1.00 0.00 H +ATOM 783 HH11 ARG A 45 12.045 -1.530 14.887 1.00 0.00 H +ATOM 784 HH12 ARG A 45 12.779 -0.070 15.379 1.00 0.00 H +ATOM 785 HH21 ARG A 45 9.986 1.996 14.770 1.00 0.00 H +ATOM 786 HH22 ARG A 45 11.606 1.941 15.291 1.00 0.00 H +ATOM 787 N GLY A 46 9.758 -6.453 10.409 1.00 0.00 N +ATOM 788 CA GLY A 46 9.737 -7.860 10.121 1.00 0.00 C +ATOM 789 C GLY A 46 9.243 -8.099 8.716 1.00 0.00 C +ATOM 790 O GLY A 46 9.015 -9.232 8.305 1.00 0.00 O +ATOM 791 H GLY A 46 10.478 -5.898 10.037 1.00 0.00 H +ATOM 792 HA2 GLY A 46 10.737 -8.256 10.224 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.077 -8.359 10.814 1.00 0.00 H +ATOM 794 N MET A 47 9.064 -7.018 7.985 1.00 0.00 N +ATOM 795 CA MET A 47 8.602 -7.062 6.612 1.00 0.00 C +ATOM 796 C MET A 47 9.568 -6.281 5.740 1.00 0.00 C +ATOM 797 O MET A 47 10.033 -5.212 6.156 1.00 0.00 O +ATOM 798 CB MET A 47 7.200 -6.460 6.491 1.00 0.00 C +ATOM 799 CG MET A 47 6.092 -7.272 7.147 1.00 0.00 C +ATOM 800 SD MET A 47 5.800 -8.862 6.333 1.00 0.00 S +ATOM 801 CE MET A 47 5.195 -8.317 4.731 1.00 0.00 C +ATOM 802 H MET A 47 9.274 -6.144 8.376 1.00 0.00 H +ATOM 803 HA MET A 47 8.573 -8.100 6.317 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.223 -5.487 6.956 1.00 0.00 H +ATOM 805 HB3 MET A 47 6.965 -6.336 5.444 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.351 -7.441 8.183 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.185 -6.689 7.099 1.00 0.00 H +ATOM 808 HE1 MET A 47 5.957 -7.740 4.227 1.00 0.00 H +ATOM 809 HE2 MET A 47 4.320 -7.701 4.871 1.00 0.00 H +ATOM 810 HE3 MET A 47 4.937 -9.177 4.131 1.00 0.00 H +ATOM 811 N PRO A 48 9.899 -6.785 4.539 1.00 0.00 N +ATOM 812 CA PRO A 48 10.840 -6.119 3.636 1.00 0.00 C +ATOM 813 C PRO A 48 10.304 -4.791 3.086 1.00 0.00 C +ATOM 814 O PRO A 48 9.507 -4.775 2.135 1.00 0.00 O +ATOM 815 CB PRO A 48 11.053 -7.125 2.491 1.00 0.00 C +ATOM 816 CG PRO A 48 10.460 -8.408 2.971 1.00 0.00 C +ATOM 817 CD PRO A 48 9.398 -8.042 3.963 1.00 0.00 C +ATOM 818 HA PRO A 48 11.781 -5.933 4.134 1.00 0.00 H +ATOM 819 HB2 PRO A 48 10.542 -6.768 1.611 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.108 -7.230 2.284 1.00 0.00 H +ATOM 821 HG2 PRO A 48 10.029 -8.950 2.142 1.00 0.00 H +ATOM 822 HG3 PRO A 48 11.222 -9.007 3.448 1.00 0.00 H +ATOM 823 HD2 PRO A 48 8.442 -7.896 3.481 1.00 0.00 H +ATOM 824 HD3 PRO A 48 9.337 -8.815 4.712 1.00 0.00 H +ATOM 825 N ASP A 49 10.681 -3.706 3.760 1.00 0.00 N +ATOM 826 CA ASP A 49 10.352 -2.317 3.383 1.00 0.00 C +ATOM 827 C ASP A 49 8.879 -2.086 3.158 1.00 0.00 C +ATOM 828 O ASP A 49 8.488 -1.307 2.292 1.00 0.00 O +ATOM 829 CB ASP A 49 11.178 -1.824 2.183 1.00 0.00 C +ATOM 830 CG ASP A 49 12.609 -1.518 2.545 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.864 -0.476 3.208 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.511 -2.310 2.200 1.00 0.00 O +ATOM 833 H ASP A 49 11.210 -3.859 4.574 1.00 0.00 H +ATOM 834 HA ASP A 49 10.629 -1.718 4.237 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.181 -2.592 1.423 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.723 -0.930 1.782 1.00 0.00 H +ATOM 837 N CYS A 50 8.067 -2.696 3.977 1.00 0.00 N +ATOM 838 CA CYS A 50 6.642 -2.559 3.846 1.00 0.00 C +ATOM 839 C CYS A 50 6.136 -1.540 4.859 1.00 0.00 C +ATOM 840 O CYS A 50 6.656 -1.450 5.965 1.00 0.00 O +ATOM 841 CB CYS A 50 5.973 -3.911 4.058 1.00 0.00 C +ATOM 842 SG CYS A 50 6.601 -5.220 2.976 1.00 0.00 S +ATOM 843 H CYS A 50 8.436 -3.245 4.698 1.00 0.00 H +ATOM 844 HA CYS A 50 6.424 -2.207 2.850 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.138 -4.225 5.078 1.00 0.00 H +ATOM 846 HB3 CYS A 50 4.911 -3.813 3.883 1.00 0.00 H +ATOM 847 HG CYS A 50 7.766 -4.806 2.486 1.00 0.00 H +ATOM 848 N TYR A 51 5.175 -0.763 4.456 1.00 0.00 N +ATOM 849 CA TYR A 51 4.584 0.284 5.251 1.00 0.00 C +ATOM 850 C TYR A 51 3.083 0.133 5.137 1.00 0.00 C +ATOM 851 O TYR A 51 2.597 -0.442 4.156 1.00 0.00 O +ATOM 852 CB TYR A 51 4.984 1.676 4.710 1.00 0.00 C +ATOM 853 CG TYR A 51 6.471 2.012 4.716 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.370 1.343 3.895 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.968 3.007 5.533 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.711 1.653 3.891 1.00 0.00 C +ATOM 857 CE2 TYR A 51 8.311 3.326 5.530 1.00 0.00 C +ATOM 858 CZ TYR A 51 9.175 2.645 4.707 1.00 0.00 C +ATOM 859 OH TYR A 51 10.520 2.959 4.710 1.00 0.00 O +ATOM 860 H TYR A 51 4.805 -0.887 3.553 1.00 0.00 H +ATOM 861 HA TYR A 51 4.896 0.184 6.279 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.650 1.750 3.685 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.467 2.426 5.290 1.00 0.00 H +ATOM 864 HD1 TYR A 51 7.002 0.558 3.250 1.00 0.00 H +ATOM 865 HD2 TYR A 51 6.291 3.543 6.181 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.389 1.116 3.244 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.678 4.109 6.178 1.00 0.00 H +ATOM 868 HH TYR A 51 10.837 2.910 3.797 1.00 0.00 H +ATOM 869 N LYS A 52 2.354 0.626 6.095 1.00 0.00 N +ATOM 870 CA LYS A 52 0.914 0.491 6.070 1.00 0.00 C +ATOM 871 C LYS A 52 0.206 1.794 6.385 1.00 0.00 C +ATOM 872 O LYS A 52 0.645 2.575 7.247 1.00 0.00 O +ATOM 873 CB LYS A 52 0.446 -0.565 7.078 1.00 0.00 C +ATOM 874 CG LYS A 52 0.884 -0.271 8.506 1.00 0.00 C +ATOM 875 CD LYS A 52 0.176 -1.143 9.513 1.00 0.00 C +ATOM 876 CE LYS A 52 0.755 -0.930 10.896 1.00 0.00 C +ATOM 877 NZ LYS A 52 0.019 -1.672 11.927 1.00 0.00 N +ATOM 878 H LYS A 52 2.786 1.096 6.842 1.00 0.00 H +ATOM 879 HA LYS A 52 0.622 0.158 5.085 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.632 -0.617 7.055 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.849 -1.524 6.791 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.948 -0.441 8.588 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.673 0.766 8.722 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -0.873 -0.887 9.527 1.00 0.00 H +ATOM 885 HD3 LYS A 52 0.295 -2.179 9.235 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.778 -1.275 10.890 1.00 0.00 H +ATOM 887 HE3 LYS A 52 0.739 0.124 11.129 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 -0.092 -2.679 11.683 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 -0.925 -1.271 12.086 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 0.537 -1.620 12.829 1.00 0.00 H +ATOM 891 N ILE A 53 -0.876 2.021 5.701 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.770 3.093 6.017 1.00 0.00 C +ATOM 893 C ILE A 53 -3.103 2.475 6.303 1.00 0.00 C +ATOM 894 O ILE A 53 -3.631 1.703 5.486 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.957 4.153 4.886 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.621 4.845 4.564 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -3.030 5.194 5.315 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.704 5.869 3.446 1.00 0.00 C +ATOM 899 H ILE A 53 -1.105 1.421 4.955 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.404 3.576 6.910 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.324 3.641 4.008 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.267 5.357 5.447 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.105 4.097 4.281 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -3.212 5.918 4.533 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.700 5.716 6.201 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.955 4.688 5.560 1.00 0.00 H +ATOM 907 HD11 ILE A 53 -1.059 5.392 2.545 1.00 0.00 H +ATOM 908 HD12 ILE A 53 0.276 6.287 3.265 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -1.387 6.656 3.731 1.00 0.00 H +ATOM 910 N LYS A 54 -3.617 2.724 7.450 1.00 0.00 N +ATOM 911 CA LYS A 54 -4.914 2.271 7.746 1.00 0.00 C +ATOM 912 C LYS A 54 -5.884 3.425 7.647 1.00 0.00 C +ATOM 913 O LYS A 54 -5.650 4.498 8.196 1.00 0.00 O +ATOM 914 CB LYS A 54 -4.968 1.450 9.060 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.410 2.094 10.341 1.00 0.00 C +ATOM 916 CD LYS A 54 -5.311 3.159 10.930 1.00 0.00 C +ATOM 917 CE LYS A 54 -6.726 2.651 11.063 1.00 0.00 C +ATOM 918 NZ LYS A 54 -7.539 3.463 11.973 1.00 0.00 N +ATOM 919 H LYS A 54 -3.106 3.240 8.112 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.162 1.618 6.919 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.992 1.171 9.256 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.412 0.541 8.892 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.271 1.326 11.087 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -3.453 2.534 10.112 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -4.935 3.437 11.902 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -5.298 4.007 10.260 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -7.150 2.720 10.071 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -6.702 1.620 11.383 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -7.634 4.455 11.689 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -7.130 3.445 12.929 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -8.490 3.054 12.068 1.00 0.00 H +ATOM 932 N LEU A 55 -6.932 3.217 6.904 1.00 0.00 N +ATOM 933 CA LEU A 55 -7.886 4.248 6.592 1.00 0.00 C +ATOM 934 C LEU A 55 -8.779 4.500 7.803 1.00 0.00 C +ATOM 935 O LEU A 55 -9.687 3.710 8.098 1.00 0.00 O +ATOM 936 CB LEU A 55 -8.689 3.827 5.336 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.368 4.936 4.499 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -10.547 5.551 5.208 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -8.355 6.011 4.143 1.00 0.00 C +ATOM 940 H LEU A 55 -7.077 2.307 6.556 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.331 5.146 6.369 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.017 3.290 4.685 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.454 3.137 5.660 1.00 0.00 H +ATOM 944 HG LEU A 55 -9.726 4.508 3.573 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -10.214 5.995 6.133 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -11.283 4.789 5.420 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -10.989 6.315 4.583 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -7.504 5.559 3.657 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -8.040 6.527 5.037 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -8.815 6.715 3.468 1.00 0.00 H +ATOM 951 N ARG A 56 -8.492 5.590 8.495 1.00 0.00 N +ATOM 952 CA ARG A 56 -9.153 5.977 9.744 1.00 0.00 C +ATOM 953 C ARG A 56 -10.678 6.106 9.637 1.00 0.00 C +ATOM 954 O ARG A 56 -11.405 5.675 10.527 1.00 0.00 O +ATOM 955 CB ARG A 56 -8.531 7.269 10.306 1.00 0.00 C +ATOM 956 CG ARG A 56 -8.521 8.447 9.328 1.00 0.00 C +ATOM 957 CD ARG A 56 -7.954 9.706 9.960 1.00 0.00 C +ATOM 958 NE ARG A 56 -6.609 9.514 10.537 1.00 0.00 N +ATOM 959 CZ ARG A 56 -5.884 10.483 11.126 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -6.278 11.755 11.063 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -4.755 10.174 11.751 1.00 0.00 N +ATOM 962 H ARG A 56 -7.779 6.167 8.139 1.00 0.00 H +ATOM 963 HA ARG A 56 -8.947 5.187 10.452 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -9.084 7.567 11.183 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -7.511 7.063 10.593 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -7.934 8.191 8.460 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -9.539 8.638 9.019 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -7.897 10.474 9.202 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -8.627 10.024 10.741 1.00 0.00 H +ATOM 970 HE ARG A 56 -6.261 8.593 10.515 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -7.114 12.021 10.577 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -5.760 12.504 11.484 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -4.411 9.233 11.801 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -4.201 10.874 12.210 1.00 0.00 H +ATOM 975 N SER A 57 -11.155 6.642 8.552 1.00 0.00 N +ATOM 976 CA SER A 57 -12.560 6.889 8.373 1.00 0.00 C +ATOM 977 C SER A 57 -13.337 5.690 7.764 1.00 0.00 C +ATOM 978 O SER A 57 -14.449 5.866 7.260 1.00 0.00 O +ATOM 979 CB SER A 57 -12.698 8.159 7.541 1.00 0.00 C +ATOM 980 OG SER A 57 -11.663 8.209 6.567 1.00 0.00 O +ATOM 981 H SER A 57 -10.579 6.932 7.811 1.00 0.00 H +ATOM 982 HA SER A 57 -12.974 7.095 9.347 1.00 0.00 H +ATOM 983 HB2 SER A 57 -13.654 8.158 7.040 1.00 0.00 H +ATOM 984 HB3 SER A 57 -12.619 9.026 8.181 1.00 0.00 H +ATOM 985 HG SER A 57 -12.057 8.353 5.693 1.00 0.00 H +ATOM 986 N SER A 58 -12.786 4.476 7.855 1.00 0.00 N +ATOM 987 CA SER A 58 -13.494 3.307 7.341 1.00 0.00 C +ATOM 988 C SER A 58 -13.028 2.012 8.030 1.00 0.00 C +ATOM 989 O SER A 58 -13.848 1.196 8.471 1.00 0.00 O +ATOM 990 CB SER A 58 -13.348 3.199 5.811 1.00 0.00 C +ATOM 991 OG SER A 58 -14.167 2.169 5.278 1.00 0.00 O +ATOM 992 H SER A 58 -11.914 4.380 8.291 1.00 0.00 H +ATOM 993 HA SER A 58 -14.540 3.446 7.577 1.00 0.00 H +ATOM 994 HB2 SER A 58 -13.626 4.136 5.353 1.00 0.00 H +ATOM 995 HB3 SER A 58 -12.319 2.975 5.572 1.00 0.00 H +ATOM 996 HG SER A 58 -14.741 2.569 4.613 1.00 0.00 H +ATOM 997 N GLY A 59 -11.732 1.839 8.171 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.234 0.620 8.762 1.00 0.00 C +ATOM 999 C GLY A 59 -10.573 -0.286 7.743 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.469 -1.499 7.942 1.00 0.00 O +ATOM 1001 H GLY A 59 -11.099 2.544 7.915 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.513 0.870 9.525 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -12.059 0.090 9.217 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.135 0.279 6.655 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.422 -0.486 5.658 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.939 -0.345 5.871 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.483 0.628 6.459 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.814 -0.086 4.238 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.122 -0.686 3.744 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.340 -0.361 4.325 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.129 -1.558 2.660 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.526 -0.888 3.842 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.307 -2.091 2.175 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.502 -1.752 2.767 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.682 -2.268 2.273 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.265 1.238 6.515 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.683 -1.524 5.816 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -9.912 0.988 4.194 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.030 -0.392 3.562 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.353 0.314 5.168 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.191 -1.823 2.195 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.464 -0.623 4.305 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.287 -2.768 1.334 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.354 -1.577 2.308 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.209 -1.316 5.440 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.781 -1.344 5.582 1.00 0.00 C +ATOM 1027 C ARG A 61 -5.154 -1.486 4.216 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.630 -2.273 3.385 1.00 0.00 O +ATOM 1029 CB ARG A 61 -5.315 -2.516 6.478 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.496 -2.354 7.998 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.951 -2.317 8.475 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.996 -2.237 9.941 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -8.082 -2.288 10.737 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -9.308 -2.269 10.234 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.924 -2.301 12.047 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.628 -2.058 4.948 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.463 -0.414 6.026 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.863 -3.399 6.185 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -4.268 -2.688 6.279 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -5.012 -3.186 8.486 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -5.003 -1.443 8.301 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -7.443 -1.452 8.052 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -7.453 -3.220 8.158 1.00 0.00 H +ATOM 1044 HE ARG A 61 -6.102 -2.167 10.348 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -9.512 -2.208 9.252 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -10.123 -2.323 10.822 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -7.019 -2.273 12.480 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -8.698 -2.359 12.687 1.00 0.00 H +ATOM 1049 N LEU A 62 -4.138 -0.720 3.972 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.411 -0.796 2.742 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.930 -0.904 3.090 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.397 -0.072 3.838 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.743 0.454 1.871 1.00 0.00 C +ATOM 1054 CG LEU A 62 -3.187 0.515 0.429 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.911 1.583 -0.365 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.710 0.841 0.422 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.839 -0.054 4.630 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.727 -1.691 2.227 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.819 0.528 1.806 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.388 1.324 2.403 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.334 -0.440 -0.054 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.496 1.624 -1.362 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.789 2.542 0.117 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -4.961 1.339 -0.425 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.566 1.793 0.912 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.362 0.903 -0.596 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.165 0.074 0.952 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.287 -1.931 2.581 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.112 -2.190 2.849 1.00 0.00 C +ATOM 1070 C VAL A 63 0.894 -2.104 1.544 1.00 0.00 C +ATOM 1071 O VAL A 63 0.534 -2.744 0.540 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.321 -3.597 3.492 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.787 -3.838 3.827 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.538 -3.764 4.742 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.757 -2.545 1.971 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.472 -1.432 3.530 1.00 0.00 H +ATOM 1077 HB VAL A 63 0.017 -4.338 2.768 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.384 -3.756 2.930 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 1.901 -4.826 4.249 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 2.117 -3.107 4.550 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.376 -4.742 5.167 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -1.580 -3.655 4.479 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -0.271 -3.008 5.466 1.00 0.00 H +ATOM 1084 N TYR A 64 1.939 -1.328 1.546 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.740 -1.124 0.370 1.00 0.00 C +ATOM 1086 C TYR A 64 4.210 -1.246 0.696 1.00 0.00 C +ATOM 1087 O TYR A 64 4.595 -1.112 1.836 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.425 0.241 -0.288 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.545 1.471 0.612 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 3.772 1.937 1.057 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.419 2.184 0.973 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 3.868 3.069 1.833 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.504 3.314 1.753 1.00 0.00 C +ATOM 1094 CZ TYR A 64 2.736 3.752 2.181 1.00 0.00 C +ATOM 1095 OH TYR A 64 2.836 4.879 2.955 1.00 0.00 O +ATOM 1096 H TYR A 64 2.206 -0.893 2.389 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.485 -1.906 -0.329 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.085 0.397 -1.128 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.410 0.210 -0.655 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.666 1.394 0.786 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.456 1.837 0.635 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 4.835 3.413 2.165 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.603 3.846 2.018 1.00 0.00 H +ATOM 1104 HH TYR A 64 3.555 5.418 2.616 1.00 0.00 H +ATOM 1105 N GLN A 65 5.010 -1.519 -0.286 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.432 -1.584 -0.095 1.00 0.00 C +ATOM 1107 C GLN A 65 7.053 -0.338 -0.696 1.00 0.00 C +ATOM 1108 O GLN A 65 6.633 0.118 -1.766 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.027 -2.847 -0.745 1.00 0.00 C +ATOM 1110 CG GLN A 65 6.999 -2.844 -2.267 1.00 0.00 C +ATOM 1111 CD GLN A 65 7.537 -4.108 -2.876 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 6.795 -5.036 -3.169 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 8.824 -4.176 -3.025 1.00 0.00 N +ATOM 1114 H GLN A 65 4.641 -1.674 -1.184 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.632 -1.595 0.965 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.055 -2.944 -0.429 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.475 -3.705 -0.394 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 5.973 -2.720 -2.582 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.584 -2.007 -2.619 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.368 -3.414 -2.736 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.218 -4.988 -3.410 1.00 0.00 H +ATOM 1122 N VAL A 66 7.997 0.229 -0.022 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.672 1.390 -0.538 1.00 0.00 C +ATOM 1124 C VAL A 66 10.070 0.999 -0.942 1.00 0.00 C +ATOM 1125 O VAL A 66 10.904 0.673 -0.092 1.00 0.00 O +ATOM 1126 CB VAL A 66 8.723 2.555 0.503 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.537 3.733 -0.013 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.323 3.020 0.866 1.00 0.00 C +ATOM 1129 H VAL A 66 8.266 -0.159 0.843 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.136 1.723 -1.415 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.199 2.186 1.399 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 9.107 4.106 -0.930 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 10.551 3.412 -0.198 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.541 4.517 0.730 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.388 3.828 1.580 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 6.779 2.198 1.309 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 6.802 3.360 -0.016 1.00 0.00 H +ATOM 1138 N ILE A 67 10.327 1.008 -2.220 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.631 0.701 -2.707 1.00 0.00 C +ATOM 1140 C ILE A 67 12.328 2.012 -2.948 1.00 0.00 C +ATOM 1141 O ILE A 67 12.062 2.692 -3.937 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.607 -0.106 -4.027 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.651 -1.299 -3.919 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 13.020 -0.602 -4.343 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 10.500 -2.078 -5.213 1.00 0.00 C +ATOM 1146 H ILE A 67 9.626 1.244 -2.869 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.158 0.144 -1.946 1.00 0.00 H +ATOM 1148 HB ILE A 67 11.282 0.546 -4.823 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 11.015 -1.980 -3.165 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.675 -0.939 -3.628 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 13.012 -1.151 -5.272 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 13.357 -1.253 -3.549 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.692 0.240 -4.425 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 10.152 -1.405 -5.984 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.779 -2.869 -5.074 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 11.453 -2.497 -5.502 1.00 0.00 H +ATOM 1157 N ASP A 68 13.178 2.371 -2.041 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.902 3.629 -2.083 1.00 0.00 C +ATOM 1159 C ASP A 68 14.896 3.660 -3.221 1.00 0.00 C +ATOM 1160 O ASP A 68 15.056 4.682 -3.884 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.593 3.886 -0.744 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.462 5.118 -0.753 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 14.944 6.234 -0.563 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 16.691 4.986 -0.933 1.00 0.00 O +ATOM 1165 H ASP A 68 13.347 1.749 -1.300 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.195 4.423 -2.262 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 13.843 4.009 0.023 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.208 3.032 -0.501 1.00 0.00 H +ATOM 1169 N GLU A 69 15.508 2.525 -3.486 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.491 2.403 -4.556 1.00 0.00 C +ATOM 1171 C GLU A 69 15.869 2.680 -5.915 1.00 0.00 C +ATOM 1172 O GLU A 69 16.458 3.356 -6.757 1.00 0.00 O +ATOM 1173 CB GLU A 69 17.076 1.010 -4.564 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.873 0.653 -3.338 1.00 0.00 C +ATOM 1175 CD GLU A 69 18.317 -0.772 -3.380 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 19.181 -1.116 -4.207 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 17.786 -1.584 -2.632 1.00 0.00 O +ATOM 1178 H GLU A 69 15.301 1.750 -2.918 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.286 3.110 -4.373 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 16.266 0.301 -4.653 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.716 0.912 -5.428 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 18.743 1.291 -3.286 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 17.264 0.804 -2.459 1.00 0.00 H +ATOM 1184 N LYS A 70 14.670 2.192 -6.110 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.986 2.347 -7.380 1.00 0.00 C +ATOM 1186 C LYS A 70 13.063 3.558 -7.346 1.00 0.00 C +ATOM 1187 O LYS A 70 12.480 3.929 -8.365 1.00 0.00 O +ATOM 1188 CB LYS A 70 13.197 1.078 -7.721 1.00 0.00 C +ATOM 1189 CG LYS A 70 14.053 -0.169 -7.893 1.00 0.00 C +ATOM 1190 CD LYS A 70 13.190 -1.393 -8.174 1.00 0.00 C +ATOM 1191 CE LYS A 70 14.036 -2.646 -8.346 1.00 0.00 C +ATOM 1192 NZ LYS A 70 13.213 -3.862 -8.545 1.00 0.00 N +ATOM 1193 H LYS A 70 14.230 1.723 -5.373 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.734 2.507 -8.141 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.506 0.884 -6.915 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.644 1.241 -8.634 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.732 -0.017 -8.719 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.617 -0.335 -6.988 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 12.508 -1.542 -7.351 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.629 -1.219 -9.079 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 14.665 -2.512 -9.215 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 14.663 -2.773 -7.478 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 13.831 -4.687 -8.661 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 12.645 -3.791 -9.412 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 12.570 -4.054 -7.751 1.00 0.00 H +ATOM 1206 N VAL A 71 12.950 4.165 -6.157 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.118 5.356 -5.915 1.00 0.00 C +ATOM 1208 C VAL A 71 10.641 5.046 -6.280 1.00 0.00 C +ATOM 1209 O VAL A 71 9.898 5.882 -6.759 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.687 6.606 -6.705 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 11.960 7.906 -6.356 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.176 6.770 -6.435 1.00 0.00 C +ATOM 1213 H VAL A 71 13.452 3.799 -5.399 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.162 5.553 -4.854 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.558 6.420 -7.761 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 10.925 7.812 -6.649 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.412 8.732 -6.886 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.017 8.079 -5.292 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.698 5.885 -6.769 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.335 6.906 -5.376 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.546 7.634 -6.966 1.00 0.00 H +ATOM 1222 N VAL A 72 10.213 3.846 -5.980 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.869 3.433 -6.319 1.00 0.00 C +ATOM 1224 C VAL A 72 8.238 2.649 -5.178 1.00 0.00 C +ATOM 1225 O VAL A 72 8.908 1.874 -4.478 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.815 2.631 -7.667 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.647 1.375 -7.606 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.380 2.312 -8.086 1.00 0.00 C +ATOM 1229 H VAL A 72 10.794 3.233 -5.481 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.288 4.338 -6.437 1.00 0.00 H +ATOM 1231 HB VAL A 72 9.258 3.253 -8.431 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 9.279 0.739 -6.816 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 10.673 1.645 -7.413 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 9.575 0.860 -8.553 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.909 1.714 -7.320 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 7.391 1.760 -9.014 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.823 3.228 -8.218 1.00 0.00 H +ATOM 1238 N VAL A 73 6.992 2.907 -4.967 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.202 2.291 -3.956 1.00 0.00 C +ATOM 1240 C VAL A 73 5.207 1.342 -4.620 1.00 0.00 C +ATOM 1241 O VAL A 73 4.461 1.752 -5.504 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.420 3.376 -3.171 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.582 2.772 -2.076 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.355 4.438 -2.611 1.00 0.00 C +ATOM 1245 H VAL A 73 6.538 3.572 -5.532 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.839 1.752 -3.270 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.751 3.859 -3.869 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 3.868 2.089 -2.511 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 4.054 3.553 -1.549 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 5.219 2.234 -1.389 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 5.793 5.151 -2.026 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 6.834 4.952 -3.433 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 7.111 3.972 -1.998 1.00 0.00 H +ATOM 1254 N PHE A 74 5.211 0.096 -4.214 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.286 -0.889 -4.755 1.00 0.00 C +ATOM 1256 C PHE A 74 3.326 -1.351 -3.687 1.00 0.00 C +ATOM 1257 O PHE A 74 3.745 -1.920 -2.686 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.007 -2.118 -5.335 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.771 -1.888 -6.599 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 5.110 -1.787 -7.807 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 7.149 -1.807 -6.589 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 5.807 -1.605 -8.981 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 7.852 -1.622 -7.760 1.00 0.00 C +ATOM 1264 CZ PHE A 74 7.182 -1.522 -8.957 1.00 0.00 C +ATOM 1265 H PHE A 74 5.834 -0.155 -3.497 1.00 0.00 H +ATOM 1266 HA PHE A 74 3.725 -0.411 -5.546 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 5.715 -2.480 -4.605 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 4.282 -2.897 -5.521 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 4.031 -1.847 -7.826 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 7.679 -1.885 -5.650 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 5.275 -1.528 -9.917 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 8.930 -1.558 -7.742 1.00 0.00 H +ATOM 1273 HZ PHE A 74 7.732 -1.381 -9.875 1.00 0.00 H +ATOM 1274 N VAL A 75 2.061 -1.089 -3.884 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.023 -1.556 -2.970 1.00 0.00 C +ATOM 1276 C VAL A 75 0.922 -3.063 -3.095 1.00 0.00 C +ATOM 1277 O VAL A 75 0.681 -3.552 -4.178 1.00 0.00 O +ATOM 1278 CB VAL A 75 -0.350 -0.914 -3.307 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.451 -1.435 -2.389 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 -0.261 0.607 -3.239 1.00 0.00 C +ATOM 1281 H VAL A 75 1.823 -0.564 -4.681 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.308 -1.301 -1.962 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.608 -1.192 -4.318 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.547 -2.503 -2.519 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -2.387 -0.955 -2.638 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -1.200 -1.222 -1.361 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 -1.227 1.035 -3.456 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 0.454 0.951 -3.971 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.061 0.913 -2.254 1.00 0.00 H +ATOM 1290 N ILE A 76 1.113 -3.784 -2.002 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.121 -5.242 -2.055 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.245 -5.799 -1.688 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.762 -6.706 -2.351 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.159 -5.851 -1.066 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.566 -5.301 -1.317 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.171 -7.381 -1.173 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.602 -5.838 -0.344 1.00 0.00 C +ATOM 1298 H ILE A 76 1.216 -3.334 -1.134 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.380 -5.550 -3.057 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.853 -5.594 -0.062 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 3.881 -5.566 -2.315 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.547 -4.224 -1.224 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 2.888 -7.783 -0.472 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 2.453 -7.661 -2.175 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 1.187 -7.765 -0.951 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 4.594 -6.917 -0.390 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.355 -5.525 0.660 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 5.582 -5.479 -0.616 1.00 0.00 H +ATOM 1309 N SER A 77 -0.842 -5.247 -0.672 1.00 0.00 N +ATOM 1310 CA SER A 77 -2.094 -5.744 -0.198 1.00 0.00 C +ATOM 1311 C SER A 77 -3.001 -4.597 0.218 1.00 0.00 C +ATOM 1312 O SER A 77 -2.534 -3.570 0.722 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.850 -6.748 0.952 1.00 0.00 C +ATOM 1314 OG SER A 77 -1.045 -6.184 1.982 1.00 0.00 O +ATOM 1315 H SER A 77 -0.451 -4.480 -0.198 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.563 -6.270 -1.015 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -2.790 -7.056 1.383 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -1.330 -7.609 0.556 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.955 -6.822 2.700 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.276 -4.749 -0.035 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.247 -3.756 0.318 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.572 -4.449 0.625 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.907 -5.474 0.003 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.407 -2.669 -0.809 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.849 -3.274 -2.134 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.353 -1.555 -0.384 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.618 -5.559 -0.469 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.900 -3.278 1.222 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.431 -2.237 -0.974 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -5.944 -2.492 -2.874 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -6.803 -3.762 -2.004 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -5.116 -3.996 -2.462 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.968 -1.070 0.501 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -7.326 -1.973 -0.169 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.442 -0.832 -1.183 1.00 0.00 H +ATOM 1336 N GLY A 79 -7.266 -3.957 1.619 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.546 -4.504 1.982 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.802 -4.330 3.451 1.00 0.00 C +ATOM 1339 O GLY A 79 -8.466 -3.296 4.017 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.887 -3.215 2.145 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -9.315 -3.989 1.425 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.578 -5.555 1.737 1.00 0.00 H +ATOM 1343 N LYS A 80 -9.374 -5.314 4.078 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.655 -5.251 5.493 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.872 -6.316 6.223 1.00 0.00 C +ATOM 1346 O LYS A 80 -8.492 -7.330 5.636 1.00 0.00 O +ATOM 1347 CB LYS A 80 -11.154 -5.421 5.782 1.00 0.00 C +ATOM 1348 CG LYS A 80 -12.040 -4.330 5.191 1.00 0.00 C +ATOM 1349 CD LYS A 80 -13.518 -4.553 5.511 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.801 -4.480 7.006 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -15.230 -4.699 7.318 1.00 0.00 N +ATOM 1352 H LYS A 80 -9.601 -6.135 3.590 1.00 0.00 H +ATOM 1353 HA LYS A 80 -9.338 -4.282 5.849 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -11.477 -6.371 5.384 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -11.287 -5.428 6.854 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.736 -3.376 5.596 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.911 -4.318 4.119 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -14.099 -3.789 5.017 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.816 -5.525 5.144 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -13.224 -5.242 7.508 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -13.504 -3.507 7.367 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -15.396 -4.646 8.342 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -15.510 -5.655 7.027 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -15.855 -4.017 6.842 1.00 0.00 H +ATOM 1365 N ALA A 81 -8.630 -6.081 7.482 1.00 0.00 N +ATOM 1366 CA ALA A 81 -7.922 -7.007 8.314 1.00 0.00 C +ATOM 1367 C ALA A 81 -8.713 -7.198 9.578 1.00 0.00 C +ATOM 1368 O ALA A 81 -9.099 -6.212 10.223 1.00 0.00 O +ATOM 1369 CB ALA A 81 -6.535 -6.473 8.643 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.965 -5.264 7.904 1.00 0.00 H +ATOM 1371 HA ALA A 81 -7.821 -7.939 7.776 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -6.015 -7.182 9.271 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -6.630 -5.534 9.169 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -5.978 -6.321 7.731 1.00 0.00 H +ATOM 1375 N GLU A 82 -8.961 -8.418 9.928 1.00 0.00 N +ATOM 1376 CA GLU A 82 -9.710 -8.739 11.115 1.00 0.00 C +ATOM 1377 C GLU A 82 -8.735 -8.978 12.243 1.00 0.00 C +ATOM 1378 O GLU A 82 -8.969 -8.578 13.391 1.00 0.00 O +ATOM 1379 CB GLU A 82 -10.568 -9.982 10.883 1.00 0.00 C +ATOM 1380 CG GLU A 82 -11.572 -9.841 9.747 1.00 0.00 C +ATOM 1381 CD GLU A 82 -12.579 -8.740 9.979 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -13.544 -8.948 10.734 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -12.433 -7.648 9.401 1.00 0.00 O +ATOM 1384 H GLU A 82 -8.587 -9.163 9.399 1.00 0.00 H +ATOM 1385 HA GLU A 82 -10.345 -7.902 11.360 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -9.918 -10.815 10.659 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -11.115 -10.199 11.789 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -11.032 -9.619 8.839 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -12.100 -10.775 9.627 1.00 0.00 H +ATOM 1390 N ALA A 83 -7.639 -9.606 11.906 1.00 0.00 N +ATOM 1391 CA ALA A 83 -6.595 -9.881 12.841 1.00 0.00 C +ATOM 1392 C ALA A 83 -5.249 -9.445 12.271 1.00 0.00 C +ATOM 1393 O ALA A 83 -4.619 -8.511 12.797 1.00 0.00 O +ATOM 1394 CB ALA A 83 -6.580 -11.358 13.206 1.00 0.00 C +ATOM 1395 H ALA A 83 -7.531 -9.908 10.971 1.00 0.00 H +ATOM 1396 HA ALA A 83 -6.798 -9.310 13.735 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -7.541 -11.638 13.612 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -5.811 -11.539 13.941 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -6.378 -11.944 12.321 1.00 0.00 H +ATOM 1400 N SER A 84 -4.827 -10.068 11.170 1.00 0.00 N +ATOM 1401 CA SER A 84 -3.515 -9.769 10.597 1.00 0.00 C +ATOM 1402 C SER A 84 -3.434 -10.242 9.120 1.00 0.00 C +ATOM 1403 O SER A 84 -2.339 -10.387 8.554 1.00 0.00 O +ATOM 1404 CB SER A 84 -2.439 -10.478 11.456 1.00 0.00 C +ATOM 1405 OG SER A 84 -1.123 -10.071 11.121 1.00 0.00 O +ATOM 1406 H SER A 84 -5.406 -10.749 10.756 1.00 0.00 H +ATOM 1407 HA SER A 84 -3.357 -8.702 10.653 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -2.614 -10.267 12.500 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -2.522 -11.543 11.296 1.00 0.00 H +ATOM 1410 HG SER A 84 -0.909 -10.432 10.253 1.00 0.00 H +ATOM 1411 N GLU A 85 -4.589 -10.372 8.487 1.00 0.00 N +ATOM 1412 CA GLU A 85 -4.732 -10.941 7.140 1.00 0.00 C +ATOM 1413 C GLU A 85 -3.922 -10.182 6.094 1.00 0.00 C +ATOM 1414 O GLU A 85 -3.210 -10.786 5.301 1.00 0.00 O +ATOM 1415 CB GLU A 85 -6.219 -10.974 6.720 1.00 0.00 C +ATOM 1416 CG GLU A 85 -7.137 -11.881 7.561 1.00 0.00 C +ATOM 1417 CD GLU A 85 -7.131 -11.524 9.022 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -7.221 -10.324 9.346 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -6.904 -12.400 9.854 1.00 0.00 O +ATOM 1420 H GLU A 85 -5.429 -10.103 8.926 1.00 0.00 H +ATOM 1421 HA GLU A 85 -4.376 -11.960 7.177 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -6.612 -9.970 6.776 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -6.265 -11.301 5.694 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -8.148 -11.795 7.192 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -6.804 -12.902 7.452 1.00 0.00 H +ATOM 1426 N VAL A 86 -3.993 -8.858 6.126 1.00 0.00 N +ATOM 1427 CA VAL A 86 -3.300 -8.023 5.136 1.00 0.00 C +ATOM 1428 C VAL A 86 -1.770 -8.155 5.217 1.00 0.00 C +ATOM 1429 O VAL A 86 -1.070 -7.972 4.218 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.721 -6.526 5.219 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -5.202 -6.365 4.909 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -3.387 -5.925 6.582 1.00 0.00 C +ATOM 1433 H VAL A 86 -4.534 -8.439 6.826 1.00 0.00 H +ATOM 1434 HA VAL A 86 -3.598 -8.403 4.169 1.00 0.00 H +ATOM 1435 HB VAL A 86 -3.176 -5.985 4.462 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -5.473 -5.322 4.985 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -5.784 -6.944 5.609 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -5.400 -6.712 3.906 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -2.320 -5.961 6.740 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -3.876 -6.497 7.356 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -3.723 -4.899 6.619 1.00 0.00 H +ATOM 1442 N TYR A 87 -1.272 -8.519 6.390 1.00 0.00 N +ATOM 1443 CA TYR A 87 0.157 -8.685 6.603 1.00 0.00 C +ATOM 1444 C TYR A 87 0.570 -10.034 6.051 1.00 0.00 C +ATOM 1445 O TYR A 87 1.567 -10.157 5.335 1.00 0.00 O +ATOM 1446 CB TYR A 87 0.495 -8.626 8.098 1.00 0.00 C +ATOM 1447 CG TYR A 87 0.046 -7.365 8.804 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 -1.227 -7.270 9.345 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 0.892 -6.280 8.939 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 -1.646 -6.134 9.996 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 0.481 -5.138 9.592 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -0.787 -5.070 10.118 1.00 0.00 C +ATOM 1453 OH TYR A 87 -1.199 -3.932 10.774 1.00 0.00 O +ATOM 1454 H TYR A 87 -1.886 -8.707 7.129 1.00 0.00 H +ATOM 1455 HA TYR A 87 0.683 -7.901 6.078 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 0.021 -9.460 8.595 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 1.566 -8.713 8.217 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 -1.897 -8.111 9.244 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 1.888 -6.336 8.526 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 -2.643 -6.086 10.408 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 1.154 -4.299 9.689 1.00 0.00 H +ATOM 1462 HH TYR A 87 -1.659 -4.223 11.571 1.00 0.00 H +ATOM 1463 N SER A 88 -0.233 -11.032 6.367 1.00 0.00 N +ATOM 1464 CA SER A 88 -0.020 -12.378 5.921 1.00 0.00 C +ATOM 1465 C SER A 88 -0.100 -12.465 4.404 1.00 0.00 C +ATOM 1466 O SER A 88 0.748 -13.086 3.779 1.00 0.00 O +ATOM 1467 CB SER A 88 -1.024 -13.290 6.607 1.00 0.00 C +ATOM 1468 OG SER A 88 -0.926 -13.129 8.022 1.00 0.00 O +ATOM 1469 H SER A 88 -1.009 -10.878 6.948 1.00 0.00 H +ATOM 1470 HA SER A 88 0.975 -12.690 6.194 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -2.021 -13.026 6.289 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -0.823 -14.322 6.357 1.00 0.00 H +ATOM 1473 HG SER A 88 -1.192 -13.964 8.428 1.00 0.00 H +ATOM 1474 N GLU A 89 -1.075 -11.798 3.813 1.00 0.00 N +ATOM 1475 CA GLU A 89 -1.206 -11.763 2.362 1.00 0.00 C +ATOM 1476 C GLU A 89 -0.045 -11.025 1.694 1.00 0.00 C +ATOM 1477 O GLU A 89 0.319 -11.318 0.550 1.00 0.00 O +ATOM 1478 CB GLU A 89 -2.556 -11.209 1.939 1.00 0.00 C +ATOM 1479 CG GLU A 89 -3.691 -12.184 2.196 1.00 0.00 C +ATOM 1480 CD GLU A 89 -3.545 -13.444 1.361 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -4.028 -13.460 0.214 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -2.939 -14.430 1.822 1.00 0.00 O +ATOM 1483 H GLU A 89 -1.745 -11.333 4.365 1.00 0.00 H +ATOM 1484 HA GLU A 89 -1.148 -12.795 2.047 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -2.751 -10.300 2.488 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -2.532 -10.989 0.882 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -3.689 -12.456 3.241 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -4.628 -11.708 1.947 1.00 0.00 H +ATOM 1489 N ALA A 90 0.544 -10.085 2.403 1.00 0.00 N +ATOM 1490 CA ALA A 90 1.688 -9.370 1.890 1.00 0.00 C +ATOM 1491 C ALA A 90 2.895 -10.308 1.807 1.00 0.00 C +ATOM 1492 O ALA A 90 3.538 -10.415 0.762 1.00 0.00 O +ATOM 1493 CB ALA A 90 1.996 -8.150 2.744 1.00 0.00 C +ATOM 1494 H ALA A 90 0.201 -9.870 3.295 1.00 0.00 H +ATOM 1495 HA ALA A 90 1.439 -9.044 0.891 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 1.130 -7.505 2.780 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 2.829 -7.610 2.317 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 2.246 -8.468 3.745 1.00 0.00 H +ATOM 1499 N VAL A 91 3.159 -11.042 2.894 1.00 0.00 N +ATOM 1500 CA VAL A 91 4.292 -11.972 2.929 1.00 0.00 C +ATOM 1501 C VAL A 91 4.024 -13.206 2.027 1.00 0.00 C +ATOM 1502 O VAL A 91 4.952 -13.839 1.522 1.00 0.00 O +ATOM 1503 CB VAL A 91 4.695 -12.376 4.392 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 3.614 -13.164 5.093 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 6.021 -13.117 4.432 1.00 0.00 C +ATOM 1506 H VAL A 91 2.581 -10.945 3.684 1.00 0.00 H +ATOM 1507 HA VAL A 91 5.115 -11.444 2.469 1.00 0.00 H +ATOM 1508 HB VAL A 91 4.814 -11.456 4.946 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 2.713 -12.571 5.128 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 3.935 -13.402 6.097 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 3.426 -14.075 4.546 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 6.801 -12.485 4.033 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 5.948 -14.014 3.835 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 6.257 -13.381 5.452 1.00 0.00 H +ATOM 1515 N LYS A 92 2.740 -13.480 1.784 1.00 0.00 N +ATOM 1516 CA LYS A 92 2.277 -14.540 0.865 1.00 0.00 C +ATOM 1517 C LYS A 92 2.752 -14.291 -0.565 1.00 0.00 C +ATOM 1518 O LYS A 92 2.894 -15.228 -1.361 1.00 0.00 O +ATOM 1519 CB LYS A 92 0.748 -14.600 0.884 1.00 0.00 C +ATOM 1520 CG LYS A 92 0.142 -15.438 1.997 1.00 0.00 C +ATOM 1521 CD LYS A 92 0.143 -16.918 1.666 1.00 0.00 C +ATOM 1522 CE LYS A 92 -0.848 -17.235 0.550 1.00 0.00 C +ATOM 1523 NZ LYS A 92 -2.253 -16.904 0.930 1.00 0.00 N +ATOM 1524 H LYS A 92 2.063 -12.954 2.266 1.00 0.00 H +ATOM 1525 HA LYS A 92 2.664 -15.486 1.212 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 0.411 -13.587 1.052 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 0.386 -14.950 -0.070 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 0.723 -15.283 2.892 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 -0.874 -15.111 2.164 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 1.132 -17.203 1.343 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 -0.128 -17.483 2.545 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 -0.583 -16.686 -0.341 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 -0.785 -18.291 0.334 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 -2.546 -17.436 1.774 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 -2.918 -17.160 0.173 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 -2.395 -15.889 1.137 1.00 0.00 H +ATOM 1537 N ARG A 93 2.988 -13.033 -0.894 1.00 0.00 N +ATOM 1538 CA ARG A 93 3.452 -12.682 -2.221 1.00 0.00 C +ATOM 1539 C ARG A 93 4.980 -12.715 -2.260 1.00 0.00 C +ATOM 1540 O ARG A 93 5.603 -12.663 -3.329 1.00 0.00 O +ATOM 1541 CB ARG A 93 2.990 -11.282 -2.605 1.00 0.00 C +ATOM 1542 CG ARG A 93 3.171 -10.982 -4.083 1.00 0.00 C +ATOM 1543 CD ARG A 93 3.482 -9.529 -4.326 1.00 0.00 C +ATOM 1544 NE ARG A 93 4.799 -9.161 -3.776 1.00 0.00 N +ATOM 1545 CZ ARG A 93 5.323 -7.936 -3.807 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 4.746 -6.971 -4.533 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 6.470 -7.699 -3.190 1.00 0.00 N +ATOM 1548 H ARG A 93 2.835 -12.325 -0.231 1.00 0.00 H +ATOM 1549 HA ARG A 93 3.064 -13.393 -2.929 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 1.943 -11.177 -2.357 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 3.558 -10.559 -2.040 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 3.990 -11.578 -4.452 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 2.264 -11.250 -4.606 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 3.479 -9.341 -5.389 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 2.724 -8.924 -3.853 1.00 0.00 H +ATOM 1556 HE ARG A 93 5.288 -9.889 -3.333 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 3.914 -7.129 -5.091 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 5.124 -6.043 -4.543 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 6.993 -8.403 -2.698 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 6.866 -6.771 -3.173 1.00 0.00 H +ATOM 1561 N ILE A 94 5.568 -12.795 -1.102 1.00 0.00 N +ATOM 1562 CA ILE A 94 6.995 -12.735 -0.974 1.00 0.00 C +ATOM 1563 C ILE A 94 7.583 -14.147 -0.947 1.00 0.00 C +ATOM 1564 O ILE A 94 8.380 -14.518 -1.827 1.00 0.00 O +ATOM 1565 CB ILE A 94 7.388 -11.909 0.286 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 6.756 -10.509 0.181 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 8.900 -11.795 0.416 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 6.986 -9.618 1.374 1.00 0.00 C +ATOM 1569 H ILE A 94 5.021 -12.932 -0.300 1.00 0.00 H +ATOM 1570 HA ILE A 94 7.378 -12.234 -1.850 1.00 0.00 H +ATOM 1571 HB ILE A 94 6.995 -12.396 1.165 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 7.168 -10.003 -0.678 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 5.689 -10.619 0.045 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 9.144 -11.240 1.312 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 9.291 -11.273 -0.444 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 9.329 -12.784 0.472 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 8.045 -9.449 1.496 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 6.587 -10.093 2.257 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 6.481 -8.677 1.208 1.00 0.00 H +ATOM 1580 N LEU A 95 7.172 -14.939 0.009 1.00 0.00 N +ATOM 1581 CA LEU A 95 7.620 -16.305 0.099 1.00 0.00 C +ATOM 1582 C LEU A 95 6.468 -17.194 0.513 1.00 0.00 C +ATOM 1583 O LEU A 95 5.842 -17.810 -0.364 1.00 0.00 O +ATOM 1584 CB LEU A 95 8.889 -16.516 1.001 1.00 0.00 C +ATOM 1585 CG LEU A 95 8.828 -16.159 2.506 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 10.035 -16.744 3.217 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 8.814 -14.656 2.720 1.00 0.00 C +ATOM 1588 OXT LEU A 95 6.131 -17.231 1.705 1.00 0.00 O +ATOM 1589 H LEU A 95 6.517 -14.635 0.676 1.00 0.00 H +ATOM 1590 HA LEU A 95 7.868 -16.584 -0.914 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 9.159 -17.560 0.938 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 9.694 -15.948 0.558 1.00 0.00 H +ATOM 1593 HG LEU A 95 7.935 -16.582 2.940 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 9.988 -16.495 4.266 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 10.942 -16.339 2.794 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 10.033 -17.818 3.105 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 9.717 -14.225 2.315 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 8.754 -14.444 3.777 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 7.957 -14.234 2.217 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 9 +ATOM 1 N MET A 1 10.910 15.241 -1.768 1.00 0.00 N +ATOM 2 CA MET A 1 11.088 14.090 -2.645 1.00 0.00 C +ATOM 3 C MET A 1 9.759 13.424 -2.817 1.00 0.00 C +ATOM 4 O MET A 1 8.953 13.431 -1.900 1.00 0.00 O +ATOM 5 CB MET A 1 12.092 13.087 -2.044 1.00 0.00 C +ATOM 6 CG MET A 1 12.398 11.891 -2.942 1.00 0.00 C +ATOM 7 SD MET A 1 13.552 10.724 -2.197 1.00 0.00 S +ATOM 8 CE MET A 1 13.686 9.513 -3.514 1.00 0.00 C +ATOM 9 H MET A 1 10.266 15.920 -2.225 1.00 0.00 H +ATOM 10 HA MET A 1 11.446 14.439 -3.601 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.021 13.596 -1.835 1.00 0.00 H +ATOM 12 HB3 MET A 1 11.676 12.713 -1.122 1.00 0.00 H +ATOM 13 HG2 MET A 1 11.475 11.372 -3.153 1.00 0.00 H +ATOM 14 HG3 MET A 1 12.822 12.253 -3.867 1.00 0.00 H +ATOM 15 HE1 MET A 1 14.046 9.998 -4.409 1.00 0.00 H +ATOM 16 HE2 MET A 1 12.717 9.076 -3.702 1.00 0.00 H +ATOM 17 HE3 MET A 1 14.378 8.738 -3.221 1.00 0.00 H +ATOM 18 N ALA A 2 9.521 12.876 -3.972 1.00 0.00 N +ATOM 19 CA ALA A 2 8.305 12.167 -4.233 1.00 0.00 C +ATOM 20 C ALA A 2 8.642 10.842 -4.862 1.00 0.00 C +ATOM 21 O ALA A 2 9.699 10.697 -5.480 1.00 0.00 O +ATOM 22 CB ALA A 2 7.390 12.973 -5.139 1.00 0.00 C +ATOM 23 H ALA A 2 10.190 12.916 -4.692 1.00 0.00 H +ATOM 24 HA ALA A 2 7.804 11.997 -3.291 1.00 0.00 H +ATOM 25 HB1 ALA A 2 7.877 13.141 -6.089 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.170 13.922 -4.673 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.472 12.426 -5.295 1.00 0.00 H +ATOM 28 N TYR A 3 7.787 9.886 -4.673 1.00 0.00 N +ATOM 29 CA TYR A 3 7.963 8.569 -5.227 1.00 0.00 C +ATOM 30 C TYR A 3 6.808 8.291 -6.165 1.00 0.00 C +ATOM 31 O TYR A 3 5.838 9.040 -6.185 1.00 0.00 O +ATOM 32 CB TYR A 3 8.008 7.498 -4.115 1.00 0.00 C +ATOM 33 CG TYR A 3 9.223 7.542 -3.193 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.426 8.591 -2.302 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.146 6.505 -3.192 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.508 8.603 -1.443 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.233 6.515 -2.339 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.410 7.561 -1.468 1.00 0.00 C +ATOM 39 OH TYR A 3 12.481 7.556 -0.593 1.00 0.00 O +ATOM 40 H TYR A 3 6.970 10.063 -4.162 1.00 0.00 H +ATOM 41 HA TYR A 3 8.889 8.551 -5.782 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.137 7.611 -3.487 1.00 0.00 H +ATOM 43 HB3 TYR A 3 7.976 6.523 -4.578 1.00 0.00 H +ATOM 44 HD1 TYR A 3 8.718 9.407 -2.287 1.00 0.00 H +ATOM 45 HD2 TYR A 3 10.011 5.681 -3.877 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.646 9.428 -0.759 1.00 0.00 H +ATOM 47 HE2 TYR A 3 11.942 5.703 -2.351 1.00 0.00 H +ATOM 48 HH TYR A 3 13.267 7.178 -1.023 1.00 0.00 H +ATOM 49 N PHE A 4 6.913 7.248 -6.930 1.00 0.00 N +ATOM 50 CA PHE A 4 5.870 6.874 -7.864 1.00 0.00 C +ATOM 51 C PHE A 4 4.992 5.771 -7.294 1.00 0.00 C +ATOM 52 O PHE A 4 5.366 5.115 -6.323 1.00 0.00 O +ATOM 53 CB PHE A 4 6.495 6.446 -9.195 1.00 0.00 C +ATOM 54 CG PHE A 4 7.178 7.577 -9.911 1.00 0.00 C +ATOM 55 CD1 PHE A 4 6.459 8.425 -10.734 1.00 0.00 C +ATOM 56 CD2 PHE A 4 8.536 7.798 -9.754 1.00 0.00 C +ATOM 57 CE1 PHE A 4 7.080 9.473 -11.382 1.00 0.00 C +ATOM 58 CE2 PHE A 4 9.162 8.841 -10.400 1.00 0.00 C +ATOM 59 CZ PHE A 4 8.435 9.679 -11.215 1.00 0.00 C +ATOM 60 H PHE A 4 7.733 6.710 -6.885 1.00 0.00 H +ATOM 61 HA PHE A 4 5.262 7.750 -8.037 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.248 5.703 -8.977 1.00 0.00 H +ATOM 63 HB3 PHE A 4 5.755 6.005 -9.846 1.00 0.00 H +ATOM 64 HD1 PHE A 4 5.399 8.263 -10.863 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.110 7.142 -9.115 1.00 0.00 H +ATOM 66 HE1 PHE A 4 6.509 10.128 -12.023 1.00 0.00 H +ATOM 67 HE2 PHE A 4 10.222 9.002 -10.266 1.00 0.00 H +ATOM 68 HZ PHE A 4 8.925 10.498 -11.719 1.00 0.00 H +ATOM 69 N LEU A 5 3.824 5.584 -7.883 1.00 0.00 N +ATOM 70 CA LEU A 5 2.893 4.542 -7.464 1.00 0.00 C +ATOM 71 C LEU A 5 2.866 3.379 -8.419 1.00 0.00 C +ATOM 72 O LEU A 5 2.740 3.558 -9.647 1.00 0.00 O +ATOM 73 CB LEU A 5 1.447 5.068 -7.309 1.00 0.00 C +ATOM 74 CG LEU A 5 1.007 5.558 -5.927 1.00 0.00 C +ATOM 75 CD1 LEU A 5 1.125 4.447 -4.905 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.790 6.769 -5.501 1.00 0.00 C +ATOM 77 H LEU A 5 3.570 6.171 -8.625 1.00 0.00 H +ATOM 78 HA LEU A 5 3.222 4.188 -6.499 1.00 0.00 H +ATOM 79 HB2 LEU A 5 1.325 5.889 -8.001 1.00 0.00 H +ATOM 80 HB3 LEU A 5 0.783 4.274 -7.617 1.00 0.00 H +ATOM 81 HG LEU A 5 -0.041 5.822 -5.957 1.00 0.00 H +ATOM 82 HD11 LEU A 5 2.148 4.106 -4.848 1.00 0.00 H +ATOM 83 HD12 LEU A 5 0.489 3.624 -5.192 1.00 0.00 H +ATOM 84 HD13 LEU A 5 0.822 4.813 -3.936 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.841 6.521 -5.495 1.00 0.00 H +ATOM 86 HD22 LEU A 5 1.476 7.065 -4.510 1.00 0.00 H +ATOM 87 HD23 LEU A 5 1.608 7.570 -6.202 1.00 0.00 H +ATOM 88 N ASP A 6 2.978 2.202 -7.873 1.00 0.00 N +ATOM 89 CA ASP A 6 2.794 0.990 -8.626 1.00 0.00 C +ATOM 90 C ASP A 6 1.987 0.042 -7.791 1.00 0.00 C +ATOM 91 O ASP A 6 2.049 0.081 -6.564 1.00 0.00 O +ATOM 92 CB ASP A 6 4.104 0.341 -9.056 1.00 0.00 C +ATOM 93 CG ASP A 6 3.875 -0.808 -10.016 1.00 0.00 C +ATOM 94 OD1 ASP A 6 3.289 -0.582 -11.097 1.00 0.00 O +ATOM 95 OD2 ASP A 6 4.270 -1.938 -9.725 1.00 0.00 O +ATOM 96 H ASP A 6 3.200 2.116 -6.917 1.00 0.00 H +ATOM 97 HA ASP A 6 2.205 1.241 -9.496 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.757 1.067 -9.516 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.566 -0.062 -8.168 1.00 0.00 H +ATOM 100 N PHE A 7 1.229 -0.779 -8.430 1.00 0.00 N +ATOM 101 CA PHE A 7 0.332 -1.678 -7.756 1.00 0.00 C +ATOM 102 C PHE A 7 0.505 -3.054 -8.330 1.00 0.00 C +ATOM 103 O PHE A 7 0.598 -3.208 -9.559 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.140 -1.257 -7.973 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.530 0.118 -7.479 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -1.276 1.251 -8.245 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.169 0.273 -6.261 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -1.645 2.505 -7.800 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.543 1.527 -5.813 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.281 2.642 -6.583 1.00 0.00 C +ATOM 111 H PHE A 7 1.313 -0.821 -9.405 1.00 0.00 H +ATOM 112 HA PHE A 7 0.545 -1.679 -6.699 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.349 -1.282 -9.032 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.778 -1.979 -7.484 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -0.780 1.143 -9.198 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.371 -0.597 -5.655 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -1.439 3.375 -8.404 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.042 1.634 -4.861 1.00 0.00 H +ATOM 119 HZ PHE A 7 -2.574 3.621 -6.234 1.00 0.00 H +ATOM 120 N ASP A 8 0.583 -4.042 -7.484 1.00 0.00 N +ATOM 121 CA ASP A 8 0.606 -5.414 -7.949 1.00 0.00 C +ATOM 122 C ASP A 8 -0.784 -5.760 -8.448 1.00 0.00 C +ATOM 123 O ASP A 8 -1.764 -5.158 -8.002 1.00 0.00 O +ATOM 124 CB ASP A 8 0.999 -6.378 -6.827 1.00 0.00 C +ATOM 125 CG ASP A 8 1.032 -7.816 -7.296 1.00 0.00 C +ATOM 126 OD1 ASP A 8 2.064 -8.270 -7.814 1.00 0.00 O +ATOM 127 OD2 ASP A 8 0.020 -8.509 -7.184 1.00 0.00 O +ATOM 128 H ASP A 8 0.636 -3.860 -6.519 1.00 0.00 H +ATOM 129 HA ASP A 8 1.309 -5.490 -8.765 1.00 0.00 H +ATOM 130 HB2 ASP A 8 1.977 -6.113 -6.455 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.279 -6.297 -6.025 1.00 0.00 H +ATOM 132 N GLU A 9 -0.877 -6.694 -9.364 1.00 0.00 N +ATOM 133 CA GLU A 9 -2.153 -7.116 -9.906 1.00 0.00 C +ATOM 134 C GLU A 9 -3.118 -7.604 -8.809 1.00 0.00 C +ATOM 135 O GLU A 9 -4.316 -7.425 -8.932 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.971 -8.198 -10.948 1.00 0.00 C +ATOM 137 CG GLU A 9 -1.305 -9.442 -10.419 1.00 0.00 C +ATOM 138 CD GLU A 9 -1.336 -10.542 -11.405 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -2.324 -11.303 -11.410 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -0.393 -10.657 -12.206 1.00 0.00 O +ATOM 141 H GLU A 9 -0.051 -7.109 -9.693 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.596 -6.256 -10.383 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.941 -8.475 -11.334 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -1.369 -7.810 -11.755 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -0.277 -9.218 -10.179 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -1.823 -9.760 -9.525 1.00 0.00 H +ATOM 147 N ARG A 10 -2.590 -8.207 -7.742 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.422 -8.663 -6.640 1.00 0.00 C +ATOM 149 C ARG A 10 -3.992 -7.481 -5.921 1.00 0.00 C +ATOM 150 O ARG A 10 -5.178 -7.447 -5.596 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.642 -9.520 -5.657 1.00 0.00 C +ATOM 152 CG ARG A 10 -2.187 -10.855 -6.207 1.00 0.00 C +ATOM 153 CD ARG A 10 -1.457 -11.649 -5.141 1.00 0.00 C +ATOM 154 NE ARG A 10 -2.277 -11.801 -3.929 1.00 0.00 N +ATOM 155 CZ ARG A 10 -2.330 -12.888 -3.151 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -1.632 -13.987 -3.461 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -3.110 -12.873 -2.087 1.00 0.00 N +ATOM 158 H ARG A 10 -1.609 -8.335 -7.677 1.00 0.00 H +ATOM 159 HA ARG A 10 -4.233 -9.244 -7.053 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.767 -8.972 -5.342 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.272 -9.702 -4.799 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -3.052 -11.415 -6.532 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -1.523 -10.688 -7.042 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -1.221 -12.625 -5.533 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -0.547 -11.129 -4.880 1.00 0.00 H +ATOM 166 HE ARG A 10 -2.808 -11.010 -3.682 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -1.052 -14.044 -4.277 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -1.647 -14.810 -2.884 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -3.665 -12.071 -1.856 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -3.183 -13.639 -1.429 1.00 0.00 H +ATOM 171 N ALA A 11 -3.150 -6.487 -5.726 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.551 -5.263 -5.089 1.00 0.00 C +ATOM 173 C ALA A 11 -4.573 -4.550 -5.949 1.00 0.00 C +ATOM 174 O ALA A 11 -5.481 -3.944 -5.437 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.349 -4.370 -4.828 1.00 0.00 C +ATOM 176 H ALA A 11 -2.222 -6.588 -6.027 1.00 0.00 H +ATOM 177 HA ALA A 11 -4.008 -5.519 -4.144 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.889 -4.103 -5.767 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.635 -4.897 -4.211 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -2.672 -3.475 -4.318 1.00 0.00 H +ATOM 181 N LEU A 12 -4.445 -4.685 -7.265 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.372 -4.077 -8.193 1.00 0.00 C +ATOM 183 C LEU A 12 -6.704 -4.754 -8.120 1.00 0.00 C +ATOM 184 O LEU A 12 -7.734 -4.106 -8.169 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.838 -4.118 -9.613 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.717 -3.143 -9.941 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.194 -3.412 -11.335 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.229 -1.705 -9.842 1.00 0.00 C +ATOM 189 H LEU A 12 -3.708 -5.229 -7.623 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.497 -3.047 -7.898 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.481 -5.120 -9.800 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.663 -3.927 -10.279 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.907 -3.264 -9.237 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -3.993 -3.280 -12.049 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.825 -4.425 -11.390 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -2.395 -2.722 -11.553 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -3.435 -1.018 -10.095 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -4.569 -1.499 -8.836 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -5.053 -1.566 -10.525 1.00 0.00 H +ATOM 200 N LYS A 13 -6.682 -6.056 -7.980 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.894 -6.826 -7.849 1.00 0.00 C +ATOM 202 C LYS A 13 -8.641 -6.413 -6.591 1.00 0.00 C +ATOM 203 O LYS A 13 -9.856 -6.199 -6.625 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.567 -8.314 -7.820 1.00 0.00 C +ATOM 205 CG LYS A 13 -7.040 -8.849 -9.138 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.473 -10.240 -8.976 1.00 0.00 C +ATOM 207 CE LYS A 13 -6.099 -10.866 -10.318 1.00 0.00 C +ATOM 208 NZ LYS A 13 -4.974 -10.168 -10.992 1.00 0.00 N +ATOM 209 H LYS A 13 -5.811 -6.512 -7.969 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.506 -6.616 -8.714 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -6.817 -8.488 -7.062 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.461 -8.864 -7.561 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.844 -8.879 -9.857 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -6.261 -8.189 -9.491 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.575 -10.117 -8.388 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -7.183 -10.863 -8.453 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -5.823 -11.897 -10.158 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -6.968 -10.835 -10.957 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -4.069 -10.328 -10.511 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -5.150 -9.145 -11.049 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -4.873 -10.494 -11.976 1.00 0.00 H +ATOM 222 N GLU A 14 -7.916 -6.260 -5.499 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.511 -5.819 -4.255 1.00 0.00 C +ATOM 224 C GLU A 14 -8.941 -4.337 -4.330 1.00 0.00 C +ATOM 225 O GLU A 14 -9.977 -3.959 -3.823 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.601 -6.112 -3.059 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.230 -7.591 -2.942 1.00 0.00 C +ATOM 228 CD GLU A 14 -6.585 -7.959 -1.625 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -5.345 -7.797 -1.460 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -7.310 -8.464 -0.719 1.00 0.00 O +ATOM 231 H GLU A 14 -6.957 -6.471 -5.526 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.420 -6.397 -4.151 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.691 -5.537 -3.164 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.105 -5.816 -2.151 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -8.123 -8.183 -3.059 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.544 -7.832 -3.740 1.00 0.00 H +ATOM 237 N TRP A 15 -8.150 -3.532 -4.998 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.429 -2.099 -5.210 1.00 0.00 C +ATOM 239 C TRP A 15 -9.731 -1.920 -6.024 1.00 0.00 C +ATOM 240 O TRP A 15 -10.557 -1.040 -5.736 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.222 -1.489 -5.953 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.263 -0.022 -6.232 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.726 0.588 -7.359 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.769 1.017 -5.387 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.575 1.946 -7.254 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -6.985 2.235 -6.053 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.171 1.035 -4.125 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.623 3.457 -5.502 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -5.811 2.248 -3.581 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.037 3.442 -4.267 1.00 0.00 C +ATOM 251 H TRP A 15 -7.305 -3.893 -5.352 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.545 -1.617 -4.248 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.332 -1.667 -5.369 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.118 -2.005 -6.897 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -8.156 0.061 -8.200 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.848 2.598 -7.937 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -5.989 0.120 -3.580 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.791 4.389 -6.021 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.346 2.283 -2.607 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -5.737 4.366 -3.796 1.00 0.00 H +ATOM 261 N ARG A 16 -9.901 -2.745 -7.041 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.107 -2.723 -7.863 1.00 0.00 C +ATOM 263 C ARG A 16 -12.284 -3.359 -7.131 1.00 0.00 C +ATOM 264 O ARG A 16 -13.440 -3.102 -7.457 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.868 -3.396 -9.203 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.778 -2.730 -10.015 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.500 -3.489 -11.282 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.312 -2.988 -11.972 1.00 0.00 N +ATOM 269 CZ ARG A 16 -7.549 -3.726 -12.778 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -7.916 -4.973 -13.088 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -6.439 -3.213 -13.296 1.00 0.00 N +ATOM 272 H ARG A 16 -9.177 -3.376 -7.257 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.350 -1.683 -8.030 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.590 -4.424 -9.032 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.783 -3.369 -9.775 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.098 -1.731 -10.270 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.877 -2.686 -9.422 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.339 -4.526 -11.028 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -10.352 -3.400 -11.939 1.00 0.00 H +ATOM 280 HE ARG A 16 -8.079 -2.051 -11.775 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.762 -5.389 -12.739 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -7.346 -5.547 -13.680 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -6.143 -2.270 -13.113 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -5.830 -3.758 -13.880 1.00 0.00 H +ATOM 285 N LYS A 17 -11.974 -4.211 -6.172 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.968 -4.835 -5.304 1.00 0.00 C +ATOM 287 C LYS A 17 -13.568 -3.754 -4.421 1.00 0.00 C +ATOM 288 O LYS A 17 -14.796 -3.665 -4.252 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.267 -5.869 -4.428 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.146 -6.629 -3.471 1.00 0.00 C +ATOM 291 CD LYS A 17 -12.286 -7.419 -2.502 1.00 0.00 C +ATOM 292 CE LYS A 17 -13.111 -8.345 -1.642 1.00 0.00 C +ATOM 293 NZ LYS A 17 -13.741 -9.404 -2.448 1.00 0.00 N +ATOM 294 H LYS A 17 -11.029 -4.438 -6.040 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.740 -5.315 -5.888 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -11.783 -6.588 -5.071 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.504 -5.361 -3.858 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -13.757 -5.927 -2.921 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -13.776 -7.310 -4.022 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -11.572 -8.005 -3.062 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -11.757 -6.724 -1.866 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -12.478 -8.796 -0.892 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -13.883 -7.759 -1.167 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -14.464 -9.022 -3.090 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -14.190 -10.121 -1.850 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -13.025 -9.882 -3.035 1.00 0.00 H +ATOM 307 N LEU A 18 -12.676 -2.936 -3.885 1.00 0.00 N +ATOM 308 CA LEU A 18 -13.004 -1.808 -3.033 1.00 0.00 C +ATOM 309 C LEU A 18 -13.905 -0.814 -3.711 1.00 0.00 C +ATOM 310 O LEU A 18 -13.882 -0.648 -4.942 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.731 -1.091 -2.574 1.00 0.00 C +ATOM 312 CG LEU A 18 -11.176 -1.460 -1.203 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.980 -2.952 -1.046 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.884 -0.721 -0.959 1.00 0.00 C +ATOM 315 H LEU A 18 -11.727 -3.108 -4.069 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.501 -2.184 -2.152 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.960 -1.279 -3.306 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.936 -0.029 -2.577 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.880 -1.131 -0.457 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -10.288 -3.308 -1.795 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -11.941 -3.429 -1.182 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.603 -3.169 -0.058 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.498 -0.981 0.015 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -10.087 0.340 -0.994 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.165 -0.983 -1.721 1.00 0.00 H +ATOM 326 N GLY A 19 -14.680 -0.151 -2.906 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.568 0.866 -3.392 1.00 0.00 C +ATOM 328 C GLY A 19 -14.785 2.102 -3.723 1.00 0.00 C +ATOM 329 O GLY A 19 -13.733 2.342 -3.096 1.00 0.00 O +ATOM 330 H GLY A 19 -14.611 -0.362 -1.949 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.074 0.506 -4.277 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.293 1.100 -2.629 1.00 0.00 H +ATOM 333 N SER A 20 -15.281 2.894 -4.667 1.00 0.00 N +ATOM 334 CA SER A 20 -14.584 4.069 -5.163 1.00 0.00 C +ATOM 335 C SER A 20 -14.162 4.983 -4.023 1.00 0.00 C +ATOM 336 O SER A 20 -13.004 5.265 -3.872 1.00 0.00 O +ATOM 337 CB SER A 20 -15.448 4.838 -6.181 1.00 0.00 C +ATOM 338 OG SER A 20 -14.726 5.932 -6.755 1.00 0.00 O +ATOM 339 H SER A 20 -16.165 2.683 -5.041 1.00 0.00 H +ATOM 340 HA SER A 20 -13.693 3.723 -5.666 1.00 0.00 H +ATOM 341 HB2 SER A 20 -15.745 4.167 -6.974 1.00 0.00 H +ATOM 342 HB3 SER A 20 -16.331 5.218 -5.689 1.00 0.00 H +ATOM 343 HG SER A 20 -14.682 6.684 -6.136 1.00 0.00 H +ATOM 344 N THR A 21 -15.100 5.345 -3.192 1.00 0.00 N +ATOM 345 CA THR A 21 -14.884 6.271 -2.091 1.00 0.00 C +ATOM 346 C THR A 21 -13.780 5.769 -1.135 1.00 0.00 C +ATOM 347 O THR A 21 -12.938 6.552 -0.671 1.00 0.00 O +ATOM 348 CB THR A 21 -16.202 6.460 -1.314 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.258 6.746 -2.254 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.097 7.607 -0.308 1.00 0.00 C +ATOM 351 H THR A 21 -15.992 4.970 -3.330 1.00 0.00 H +ATOM 352 HA THR A 21 -14.591 7.226 -2.502 1.00 0.00 H +ATOM 353 HB THR A 21 -16.432 5.541 -0.794 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.012 7.529 -2.769 1.00 0.00 H +ATOM 355 HG21 THR A 21 -17.036 7.718 0.214 1.00 0.00 H +ATOM 356 HG22 THR A 21 -15.856 8.524 -0.826 1.00 0.00 H +ATOM 357 HG23 THR A 21 -15.315 7.387 0.404 1.00 0.00 H +ATOM 358 N VAL A 22 -13.747 4.463 -0.907 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.787 3.877 0.005 1.00 0.00 C +ATOM 360 C VAL A 22 -11.396 3.907 -0.615 1.00 0.00 C +ATOM 361 O VAL A 22 -10.437 4.376 -0.003 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.181 2.412 0.349 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -12.154 1.763 1.255 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.561 2.364 0.993 1.00 0.00 C +ATOM 365 H VAL A 22 -14.357 3.871 -1.394 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.777 4.459 0.914 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.220 1.849 -0.573 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -12.092 2.316 2.180 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -11.191 1.768 0.767 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -12.449 0.745 1.464 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.816 1.342 1.227 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -15.290 2.772 0.307 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.556 2.951 1.899 1.00 0.00 H +ATOM 374 N ARG A 23 -11.309 3.479 -1.850 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.043 3.469 -2.544 1.00 0.00 C +ATOM 376 C ARG A 23 -9.542 4.880 -2.835 1.00 0.00 C +ATOM 377 O ARG A 23 -8.353 5.118 -2.831 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.055 2.602 -3.787 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.115 2.952 -4.794 1.00 0.00 C +ATOM 380 CD ARG A 23 -10.809 2.293 -6.102 1.00 0.00 C +ATOM 381 NE ARG A 23 -11.819 2.576 -7.112 1.00 0.00 N +ATOM 382 CZ ARG A 23 -12.550 1.653 -7.733 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.443 0.369 -7.401 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.406 2.024 -8.675 1.00 0.00 N +ATOM 385 H ARG A 23 -12.122 3.158 -2.301 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.343 3.046 -1.838 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.092 2.662 -4.271 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.226 1.582 -3.471 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.041 2.541 -4.415 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.242 4.020 -4.905 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -9.856 2.684 -6.427 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -10.731 1.227 -5.948 1.00 0.00 H +ATOM 393 HE ARG A 23 -11.921 3.527 -7.348 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -11.821 0.033 -6.684 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -13.002 -0.322 -7.862 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -13.506 2.990 -8.924 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -13.976 1.365 -9.173 1.00 0.00 H +ATOM 398 N GLU A 24 -10.457 5.794 -3.107 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.128 7.194 -3.350 1.00 0.00 C +ATOM 400 C GLU A 24 -9.380 7.800 -2.185 1.00 0.00 C +ATOM 401 O GLU A 24 -8.350 8.447 -2.371 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.381 8.005 -3.647 1.00 0.00 C +ATOM 403 CG GLU A 24 -11.902 7.825 -5.061 1.00 0.00 C +ATOM 404 CD GLU A 24 -13.085 8.693 -5.351 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -12.897 9.912 -5.563 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -14.226 8.195 -5.381 1.00 0.00 O +ATOM 407 H GLU A 24 -11.401 5.523 -3.161 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.486 7.227 -4.218 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.146 7.645 -2.973 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.221 9.050 -3.438 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -11.118 8.069 -5.761 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.190 6.792 -5.194 1.00 0.00 H +ATOM 413 N GLN A 25 -9.865 7.551 -0.987 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.224 8.058 0.215 1.00 0.00 C +ATOM 415 C GLN A 25 -7.856 7.420 0.404 1.00 0.00 C +ATOM 416 O GLN A 25 -6.910 8.076 0.843 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.123 7.841 1.414 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.365 8.712 1.379 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.397 8.292 2.383 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -12.412 8.742 3.526 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.268 7.432 1.958 1.00 0.00 N +ATOM 422 H GLN A 25 -10.678 7.004 -0.900 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.080 9.119 0.072 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.432 6.807 1.421 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.579 8.054 2.322 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.080 9.733 1.586 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -11.795 8.653 0.391 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.170 7.138 1.022 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -13.974 7.121 2.566 1.00 0.00 H +ATOM 430 N LEU A 26 -7.750 6.159 0.031 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.484 5.450 0.080 1.00 0.00 C +ATOM 432 C LEU A 26 -5.504 6.027 -0.937 1.00 0.00 C +ATOM 433 O LEU A 26 -4.334 6.230 -0.626 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.686 3.959 -0.167 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.510 3.201 0.880 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.671 1.755 0.474 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.861 3.289 2.256 1.00 0.00 C +ATOM 438 H LEU A 26 -8.553 5.687 -0.280 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.068 5.590 1.066 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.174 3.865 -1.127 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.711 3.501 -0.242 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.497 3.634 0.940 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.161 1.699 -0.486 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.265 1.239 1.212 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -6.699 1.289 0.407 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -7.437 2.706 2.959 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -6.841 4.319 2.583 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -5.853 2.904 2.208 1.00 0.00 H +ATOM 449 N LYS A 27 -5.991 6.300 -2.147 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.173 6.900 -3.197 1.00 0.00 C +ATOM 451 C LYS A 27 -4.632 8.247 -2.746 1.00 0.00 C +ATOM 452 O LYS A 27 -3.457 8.547 -2.927 1.00 0.00 O +ATOM 453 CB LYS A 27 -5.985 7.117 -4.470 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.156 7.704 -5.607 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.006 8.184 -6.770 1.00 0.00 C +ATOM 456 CE LYS A 27 -6.819 9.424 -6.396 1.00 0.00 C +ATOM 457 NZ LYS A 27 -7.619 9.926 -7.537 1.00 0.00 N +ATOM 458 H LYS A 27 -6.924 6.049 -2.343 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.350 6.235 -3.415 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.397 6.170 -4.789 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -6.796 7.790 -4.240 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -4.615 8.548 -5.207 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -4.456 6.956 -5.951 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -5.354 8.429 -7.596 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -6.680 7.390 -7.057 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -7.485 9.172 -5.584 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.133 10.191 -6.066 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -7.005 10.184 -8.336 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -8.178 10.761 -7.272 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -8.276 9.191 -7.867 1.00 0.00 H +ATOM 471 N LYS A 28 -5.495 9.044 -2.138 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.108 10.355 -1.639 1.00 0.00 C +ATOM 473 C LYS A 28 -4.052 10.224 -0.568 1.00 0.00 C +ATOM 474 O LYS A 28 -3.144 11.061 -0.464 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.309 11.129 -1.114 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.353 11.400 -2.166 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.447 12.296 -1.644 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.477 12.556 -2.715 1.00 0.00 C +ATOM 479 NZ LYS A 28 -10.411 13.625 -2.332 1.00 0.00 N +ATOM 480 H LYS A 28 -6.423 8.734 -2.047 1.00 0.00 H +ATOM 481 HA LYS A 28 -4.678 10.896 -2.469 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.768 10.561 -0.320 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -5.970 12.076 -0.721 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -6.885 11.877 -3.015 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -7.787 10.461 -2.477 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -8.925 11.811 -0.805 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.017 13.234 -1.324 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -8.973 12.821 -3.632 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.030 11.641 -2.869 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -10.938 13.387 -1.469 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -11.103 13.794 -3.090 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -9.895 14.513 -2.162 1.00 0.00 H +ATOM 493 N LYS A 29 -4.165 9.173 0.211 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.187 8.877 1.227 1.00 0.00 C +ATOM 495 C LYS A 29 -1.845 8.536 0.632 1.00 0.00 C +ATOM 496 O LYS A 29 -0.814 8.950 1.151 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.657 7.799 2.185 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.083 8.329 3.539 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.242 9.295 3.451 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.553 9.869 4.812 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.427 10.680 5.349 1.00 0.00 N +ATOM 502 H LYS A 29 -4.945 8.587 0.093 1.00 0.00 H +ATOM 503 HA LYS A 29 -3.053 9.790 1.777 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.496 7.285 1.741 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.848 7.098 2.323 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.386 7.500 4.162 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.242 8.831 3.994 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -4.985 10.100 2.778 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.112 8.774 3.080 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.451 10.467 4.769 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.702 9.019 5.462 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -4.107 11.381 4.644 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -3.621 10.087 5.629 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.745 11.204 6.188 1.00 0.00 H +ATOM 515 N LEU A 30 -1.861 7.801 -0.452 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.662 7.475 -1.175 1.00 0.00 C +ATOM 517 C LEU A 30 -0.011 8.751 -1.682 1.00 0.00 C +ATOM 518 O LEU A 30 1.183 8.951 -1.525 1.00 0.00 O +ATOM 519 CB LEU A 30 -0.998 6.549 -2.340 1.00 0.00 C +ATOM 520 CG LEU A 30 -1.672 5.234 -1.954 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.031 4.420 -3.182 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -0.783 4.441 -1.013 1.00 0.00 C +ATOM 523 H LEU A 30 -2.706 7.423 -0.775 1.00 0.00 H +ATOM 524 HA LEU A 30 0.012 6.967 -0.503 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -1.653 7.085 -3.010 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.082 6.322 -2.864 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.592 5.457 -1.435 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -2.685 4.997 -3.819 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -2.535 3.514 -2.882 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -1.136 4.164 -3.730 1.00 0.00 H +ATOM 531 HD21 LEU A 30 0.175 4.263 -1.478 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -1.256 3.499 -0.786 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.647 5.007 -0.101 1.00 0.00 H +ATOM 534 N VAL A 31 -0.827 9.632 -2.228 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.358 10.891 -2.777 1.00 0.00 C +ATOM 536 C VAL A 31 0.307 11.776 -1.699 1.00 0.00 C +ATOM 537 O VAL A 31 1.398 12.316 -1.921 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.525 11.655 -3.473 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -1.076 13.008 -3.998 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -2.083 10.818 -4.606 1.00 0.00 C +ATOM 541 H VAL A 31 -1.784 9.409 -2.272 1.00 0.00 H +ATOM 542 HA VAL A 31 0.387 10.658 -3.526 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.324 11.813 -2.762 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -0.714 13.605 -3.173 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -1.912 13.507 -4.464 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -0.284 12.871 -4.719 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -1.315 10.630 -5.342 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -2.914 11.338 -5.058 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -2.429 9.881 -4.194 1.00 0.00 H +ATOM 550 N GLU A 32 -0.319 11.890 -0.536 1.00 0.00 N +ATOM 551 CA GLU A 32 0.260 12.682 0.544 1.00 0.00 C +ATOM 552 C GLU A 32 1.522 12.013 1.131 1.00 0.00 C +ATOM 553 O GLU A 32 2.562 12.668 1.320 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.777 13.029 1.642 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.399 11.830 2.327 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.423 12.186 3.385 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -2.049 12.379 4.560 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -3.629 12.232 3.083 1.00 0.00 O +ATOM 559 H GLU A 32 -1.185 11.442 -0.415 1.00 0.00 H +ATOM 560 HA GLU A 32 0.587 13.599 0.077 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.303 13.641 2.394 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.569 13.601 1.181 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -1.880 11.245 1.559 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.611 11.244 2.777 1.00 0.00 H +ATOM 565 N VAL A 33 1.457 10.705 1.320 1.00 0.00 N +ATOM 566 CA VAL A 33 2.515 9.954 1.973 1.00 0.00 C +ATOM 567 C VAL A 33 3.835 10.017 1.194 1.00 0.00 C +ATOM 568 O VAL A 33 4.885 9.991 1.783 1.00 0.00 O +ATOM 569 CB VAL A 33 2.116 8.484 2.308 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.224 7.548 1.113 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.891 7.971 3.511 1.00 0.00 C +ATOM 572 H VAL A 33 0.664 10.210 1.015 1.00 0.00 H +ATOM 573 HA VAL A 33 2.696 10.474 2.903 1.00 0.00 H +ATOM 574 HB VAL A 33 1.071 8.507 2.579 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.901 6.556 1.391 1.00 0.00 H +ATOM 576 HG12 VAL A 33 3.253 7.509 0.787 1.00 0.00 H +ATOM 577 HG13 VAL A 33 1.608 7.923 0.309 1.00 0.00 H +ATOM 578 HG21 VAL A 33 3.945 8.058 3.308 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.642 6.936 3.689 1.00 0.00 H +ATOM 580 HG23 VAL A 33 2.640 8.560 4.380 1.00 0.00 H +ATOM 581 N LEU A 34 3.748 10.155 -0.130 1.00 0.00 N +ATOM 582 CA LEU A 34 4.919 10.162 -1.034 1.00 0.00 C +ATOM 583 C LEU A 34 5.998 11.171 -0.648 1.00 0.00 C +ATOM 584 O LEU A 34 7.162 10.966 -0.991 1.00 0.00 O +ATOM 585 CB LEU A 34 4.490 10.456 -2.466 1.00 0.00 C +ATOM 586 CG LEU A 34 3.603 9.433 -3.138 1.00 0.00 C +ATOM 587 CD1 LEU A 34 3.202 9.928 -4.513 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.309 8.086 -3.227 1.00 0.00 C +ATOM 589 H LEU A 34 2.851 10.221 -0.525 1.00 0.00 H +ATOM 590 HA LEU A 34 5.362 9.179 -1.022 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.956 11.394 -2.457 1.00 0.00 H +ATOM 592 HB3 LEU A 34 5.377 10.582 -3.070 1.00 0.00 H +ATOM 593 HG LEU A 34 2.701 9.310 -2.555 1.00 0.00 H +ATOM 594 HD11 LEU A 34 4.085 10.062 -5.121 1.00 0.00 H +ATOM 595 HD12 LEU A 34 2.687 10.873 -4.419 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.549 9.209 -4.983 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.594 7.753 -2.239 1.00 0.00 H +ATOM 598 HD22 LEU A 34 5.186 8.180 -3.848 1.00 0.00 H +ATOM 599 HD23 LEU A 34 3.639 7.361 -3.663 1.00 0.00 H +ATOM 600 N GLU A 35 5.632 12.249 0.049 1.00 0.00 N +ATOM 601 CA GLU A 35 6.636 13.243 0.448 1.00 0.00 C +ATOM 602 C GLU A 35 7.630 12.646 1.462 1.00 0.00 C +ATOM 603 O GLU A 35 8.793 13.056 1.544 1.00 0.00 O +ATOM 604 CB GLU A 35 5.977 14.499 1.015 1.00 0.00 C +ATOM 605 CG GLU A 35 5.129 14.252 2.244 1.00 0.00 C +ATOM 606 CD GLU A 35 4.442 15.486 2.718 1.00 0.00 C +ATOM 607 OE1 GLU A 35 3.310 15.766 2.262 1.00 0.00 O +ATOM 608 OE2 GLU A 35 5.004 16.208 3.566 1.00 0.00 O +ATOM 609 H GLU A 35 4.688 12.360 0.306 1.00 0.00 H +ATOM 610 HA GLU A 35 7.189 13.504 -0.444 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.753 15.200 1.283 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.355 14.943 0.252 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.379 13.511 2.009 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.762 13.879 3.035 1.00 0.00 H +ATOM 615 N SER A 36 7.160 11.687 2.230 1.00 0.00 N +ATOM 616 CA SER A 36 7.942 10.983 3.224 1.00 0.00 C +ATOM 617 C SER A 36 7.273 9.644 3.518 1.00 0.00 C +ATOM 618 O SER A 36 6.559 9.508 4.493 1.00 0.00 O +ATOM 619 CB SER A 36 8.073 11.809 4.522 1.00 0.00 C +ATOM 620 OG SER A 36 8.719 13.059 4.283 1.00 0.00 O +ATOM 621 H SER A 36 6.228 11.392 2.119 1.00 0.00 H +ATOM 622 HA SER A 36 8.924 10.778 2.825 1.00 0.00 H +ATOM 623 HB2 SER A 36 7.089 11.999 4.923 1.00 0.00 H +ATOM 624 HB3 SER A 36 8.651 11.249 5.242 1.00 0.00 H +ATOM 625 HG SER A 36 8.776 13.150 3.321 1.00 0.00 H +ATOM 626 N PRO A 37 7.419 8.651 2.620 1.00 0.00 N +ATOM 627 CA PRO A 37 6.783 7.354 2.810 1.00 0.00 C +ATOM 628 C PRO A 37 7.508 6.528 3.856 1.00 0.00 C +ATOM 629 O PRO A 37 6.919 5.674 4.512 1.00 0.00 O +ATOM 630 CB PRO A 37 6.859 6.709 1.429 1.00 0.00 C +ATOM 631 CG PRO A 37 8.054 7.325 0.791 1.00 0.00 C +ATOM 632 CD PRO A 37 8.149 8.728 1.335 1.00 0.00 C +ATOM 633 HA PRO A 37 5.754 7.464 3.114 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.959 5.640 1.533 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.959 6.935 0.875 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.936 6.761 1.056 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.928 7.345 -0.281 1.00 0.00 H +ATOM 638 HD2 PRO A 37 9.181 9.010 1.491 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.661 9.422 0.666 1.00 0.00 H +ATOM 640 N ARG A 38 8.781 6.829 4.042 1.00 0.00 N +ATOM 641 CA ARG A 38 9.613 6.150 5.014 1.00 0.00 C +ATOM 642 C ARG A 38 9.375 6.638 6.448 1.00 0.00 C +ATOM 643 O ARG A 38 10.225 7.250 7.076 1.00 0.00 O +ATOM 644 CB ARG A 38 11.111 6.130 4.599 1.00 0.00 C +ATOM 645 CG ARG A 38 11.625 7.388 3.875 1.00 0.00 C +ATOM 646 CD ARG A 38 11.515 8.654 4.706 1.00 0.00 C +ATOM 647 NE ARG A 38 12.021 9.816 3.986 1.00 0.00 N +ATOM 648 CZ ARG A 38 11.950 11.086 4.402 1.00 0.00 C +ATOM 649 NH1 ARG A 38 11.377 11.382 5.567 1.00 0.00 N +ATOM 650 NH2 ARG A 38 12.450 12.056 3.644 1.00 0.00 N +ATOM 651 H ARG A 38 9.148 7.555 3.496 1.00 0.00 H +ATOM 652 HA ARG A 38 9.253 5.131 5.002 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.706 6.001 5.490 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.272 5.279 3.954 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.661 7.242 3.612 1.00 0.00 H +ATOM 656 HG3 ARG A 38 11.054 7.515 2.968 1.00 0.00 H +ATOM 657 HD2 ARG A 38 10.474 8.816 4.941 1.00 0.00 H +ATOM 658 HD3 ARG A 38 12.072 8.525 5.621 1.00 0.00 H +ATOM 659 HE ARG A 38 12.445 9.606 3.121 1.00 0.00 H +ATOM 660 HH11 ARG A 38 10.980 10.686 6.172 1.00 0.00 H +ATOM 661 HH12 ARG A 38 11.314 12.322 5.915 1.00 0.00 H +ATOM 662 HH21 ARG A 38 12.882 11.861 2.760 1.00 0.00 H +ATOM 663 HH22 ARG A 38 12.423 13.019 3.925 1.00 0.00 H +ATOM 664 N ILE A 39 8.176 6.431 6.898 1.00 0.00 N +ATOM 665 CA ILE A 39 7.760 6.785 8.228 1.00 0.00 C +ATOM 666 C ILE A 39 7.705 5.546 9.110 1.00 0.00 C +ATOM 667 O ILE A 39 7.005 4.584 8.799 1.00 0.00 O +ATOM 668 CB ILE A 39 6.374 7.497 8.203 1.00 0.00 C +ATOM 669 CG1 ILE A 39 6.504 8.884 7.575 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.759 7.586 9.589 1.00 0.00 C +ATOM 671 CD1 ILE A 39 5.193 9.633 7.430 1.00 0.00 C +ATOM 672 H ILE A 39 7.534 6.019 6.278 1.00 0.00 H +ATOM 673 HA ILE A 39 8.490 7.469 8.632 1.00 0.00 H +ATOM 674 HB ILE A 39 5.711 6.907 7.587 1.00 0.00 H +ATOM 675 HG12 ILE A 39 7.152 9.477 8.203 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.948 8.791 6.594 1.00 0.00 H +ATOM 677 HG21 ILE A 39 4.819 8.114 9.527 1.00 0.00 H +ATOM 678 HG22 ILE A 39 6.439 8.100 10.250 1.00 0.00 H +ATOM 679 HG23 ILE A 39 5.583 6.589 9.966 1.00 0.00 H +ATOM 680 HD11 ILE A 39 4.746 9.761 8.404 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.525 9.067 6.798 1.00 0.00 H +ATOM 682 HD13 ILE A 39 5.381 10.600 6.988 1.00 0.00 H +ATOM 683 N GLU A 40 8.427 5.597 10.211 1.00 0.00 N +ATOM 684 CA GLU A 40 8.501 4.518 11.195 1.00 0.00 C +ATOM 685 C GLU A 40 7.118 4.119 11.725 1.00 0.00 C +ATOM 686 O GLU A 40 6.837 2.943 11.941 1.00 0.00 O +ATOM 687 CB GLU A 40 9.447 4.885 12.368 1.00 0.00 C +ATOM 688 CG GLU A 40 9.054 6.113 13.216 1.00 0.00 C +ATOM 689 CD GLU A 40 9.097 7.429 12.471 1.00 0.00 C +ATOM 690 OE1 GLU A 40 10.207 7.949 12.209 1.00 0.00 O +ATOM 691 OE2 GLU A 40 8.027 7.946 12.108 1.00 0.00 O +ATOM 692 H GLU A 40 8.957 6.409 10.366 1.00 0.00 H +ATOM 693 HA GLU A 40 8.916 3.659 10.688 1.00 0.00 H +ATOM 694 HB2 GLU A 40 9.509 4.038 13.034 1.00 0.00 H +ATOM 695 HB3 GLU A 40 10.429 5.065 11.958 1.00 0.00 H +ATOM 696 HG2 GLU A 40 8.035 5.961 13.539 1.00 0.00 H +ATOM 697 HG3 GLU A 40 9.704 6.169 14.076 1.00 0.00 H +ATOM 698 N ALA A 41 6.249 5.101 11.873 1.00 0.00 N +ATOM 699 CA ALA A 41 4.889 4.889 12.387 1.00 0.00 C +ATOM 700 C ALA A 41 4.004 4.187 11.353 1.00 0.00 C +ATOM 701 O ALA A 41 2.940 3.654 11.671 1.00 0.00 O +ATOM 702 CB ALA A 41 4.272 6.217 12.794 1.00 0.00 C +ATOM 703 H ALA A 41 6.559 6.002 11.639 1.00 0.00 H +ATOM 704 HA ALA A 41 4.962 4.263 13.263 1.00 0.00 H +ATOM 705 HB1 ALA A 41 4.903 6.702 13.524 1.00 0.00 H +ATOM 706 HB2 ALA A 41 3.292 6.046 13.214 1.00 0.00 H +ATOM 707 HB3 ALA A 41 4.184 6.845 11.918 1.00 0.00 H +ATOM 708 N ASN A 42 4.444 4.180 10.123 1.00 0.00 N +ATOM 709 CA ASN A 42 3.687 3.541 9.071 1.00 0.00 C +ATOM 710 C ASN A 42 4.330 2.232 8.705 1.00 0.00 C +ATOM 711 O ASN A 42 3.770 1.461 7.970 1.00 0.00 O +ATOM 712 CB ASN A 42 3.589 4.420 7.799 1.00 0.00 C +ATOM 713 CG ASN A 42 2.811 5.714 7.977 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.899 5.813 8.791 1.00 0.00 O +ATOM 715 ND2 ASN A 42 3.160 6.716 7.213 1.00 0.00 N +ATOM 716 H ASN A 42 5.312 4.585 9.912 1.00 0.00 H +ATOM 717 HA ASN A 42 2.690 3.354 9.439 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.587 4.681 7.478 1.00 0.00 H +ATOM 719 HB3 ASN A 42 3.115 3.840 7.022 1.00 0.00 H +ATOM 720 HD21 ASN A 42 3.894 6.587 6.579 1.00 0.00 H +ATOM 721 HD22 ASN A 42 2.671 7.565 7.289 1.00 0.00 H +ATOM 722 N LYS A 43 5.483 1.967 9.258 1.00 0.00 N +ATOM 723 CA LYS A 43 6.261 0.841 8.887 1.00 0.00 C +ATOM 724 C LYS A 43 5.882 -0.424 9.632 1.00 0.00 C +ATOM 725 O LYS A 43 5.592 -0.397 10.834 1.00 0.00 O +ATOM 726 CB LYS A 43 7.731 1.206 9.039 1.00 0.00 C +ATOM 727 CG LYS A 43 8.676 0.056 9.113 1.00 0.00 C +ATOM 728 CD LYS A 43 10.105 0.505 8.882 1.00 0.00 C +ATOM 729 CE LYS A 43 10.373 0.737 7.403 1.00 0.00 C +ATOM 730 NZ LYS A 43 11.722 1.265 7.135 1.00 0.00 N +ATOM 731 H LYS A 43 5.862 2.509 9.981 1.00 0.00 H +ATOM 732 HA LYS A 43 6.084 0.672 7.836 1.00 0.00 H +ATOM 733 HB2 LYS A 43 8.011 1.813 8.193 1.00 0.00 H +ATOM 734 HB3 LYS A 43 7.838 1.799 9.937 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.555 -0.333 10.112 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.374 -0.677 8.381 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.251 1.436 9.414 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.774 -0.252 9.256 1.00 0.00 H +ATOM 739 HE2 LYS A 43 10.269 -0.206 6.888 1.00 0.00 H +ATOM 740 HE3 LYS A 43 9.641 1.430 7.015 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 11.821 2.246 7.463 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 11.910 1.241 6.106 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.446 0.682 7.597 1.00 0.00 H +ATOM 744 N LEU A 44 5.853 -1.512 8.891 1.00 0.00 N +ATOM 745 CA LEU A 44 5.579 -2.831 9.418 1.00 0.00 C +ATOM 746 C LEU A 44 6.870 -3.440 9.911 1.00 0.00 C +ATOM 747 O LEU A 44 7.868 -3.481 9.173 1.00 0.00 O +ATOM 748 CB LEU A 44 5.008 -3.739 8.330 1.00 0.00 C +ATOM 749 CG LEU A 44 3.697 -3.317 7.683 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.308 -4.317 6.621 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.606 -3.222 8.713 1.00 0.00 C +ATOM 752 H LEU A 44 6.049 -1.416 7.931 1.00 0.00 H +ATOM 753 HA LEU A 44 4.870 -2.753 10.228 1.00 0.00 H +ATOM 754 HB2 LEU A 44 5.747 -3.805 7.546 1.00 0.00 H +ATOM 755 HB3 LEU A 44 4.876 -4.723 8.755 1.00 0.00 H +ATOM 756 HG LEU A 44 3.817 -2.349 7.216 1.00 0.00 H +ATOM 757 HD11 LEU A 44 2.371 -4.018 6.175 1.00 0.00 H +ATOM 758 HD12 LEU A 44 3.198 -5.292 7.071 1.00 0.00 H +ATOM 759 HD13 LEU A 44 4.071 -4.356 5.860 1.00 0.00 H +ATOM 760 HD21 LEU A 44 2.451 -4.194 9.158 1.00 0.00 H +ATOM 761 HD22 LEU A 44 1.699 -2.899 8.225 1.00 0.00 H +ATOM 762 HD23 LEU A 44 2.894 -2.515 9.475 1.00 0.00 H +ATOM 763 N ARG A 45 6.853 -3.920 11.115 1.00 0.00 N +ATOM 764 CA ARG A 45 8.018 -4.514 11.711 1.00 0.00 C +ATOM 765 C ARG A 45 8.256 -5.894 11.116 1.00 0.00 C +ATOM 766 O ARG A 45 7.409 -6.787 11.244 1.00 0.00 O +ATOM 767 CB ARG A 45 7.824 -4.660 13.211 1.00 0.00 C +ATOM 768 CG ARG A 45 9.016 -5.259 13.927 1.00 0.00 C +ATOM 769 CD ARG A 45 8.621 -5.802 15.280 1.00 0.00 C +ATOM 770 NE ARG A 45 7.623 -6.877 15.141 1.00 0.00 N +ATOM 771 CZ ARG A 45 7.651 -8.038 15.797 1.00 0.00 C +ATOM 772 NH1 ARG A 45 8.541 -8.242 16.765 1.00 0.00 N +ATOM 773 NH2 ARG A 45 6.773 -8.985 15.490 1.00 0.00 N +ATOM 774 H ARG A 45 6.018 -3.887 11.628 1.00 0.00 H +ATOM 775 HA ARG A 45 8.870 -3.878 11.526 1.00 0.00 H +ATOM 776 HB2 ARG A 45 7.628 -3.687 13.636 1.00 0.00 H +ATOM 777 HB3 ARG A 45 6.969 -5.297 13.379 1.00 0.00 H +ATOM 778 HG2 ARG A 45 9.413 -6.065 13.328 1.00 0.00 H +ATOM 779 HG3 ARG A 45 9.769 -4.495 14.054 1.00 0.00 H +ATOM 780 HD2 ARG A 45 9.499 -6.195 15.768 1.00 0.00 H +ATOM 781 HD3 ARG A 45 8.199 -5.007 15.873 1.00 0.00 H +ATOM 782 HE ARG A 45 6.914 -6.712 14.478 1.00 0.00 H +ATOM 783 HH11 ARG A 45 9.207 -7.543 17.031 1.00 0.00 H +ATOM 784 HH12 ARG A 45 8.603 -9.109 17.271 1.00 0.00 H +ATOM 785 HH21 ARG A 45 6.088 -8.842 14.767 1.00 0.00 H +ATOM 786 HH22 ARG A 45 6.763 -9.883 15.936 1.00 0.00 H +ATOM 787 N GLY A 46 9.366 -6.050 10.448 1.00 0.00 N +ATOM 788 CA GLY A 46 9.743 -7.337 9.925 1.00 0.00 C +ATOM 789 C GLY A 46 9.543 -7.445 8.437 1.00 0.00 C +ATOM 790 O GLY A 46 10.024 -8.388 7.804 1.00 0.00 O +ATOM 791 H GLY A 46 9.941 -5.270 10.291 1.00 0.00 H +ATOM 792 HA2 GLY A 46 10.785 -7.510 10.150 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.150 -8.096 10.413 1.00 0.00 H +ATOM 794 N MET A 47 8.861 -6.492 7.866 1.00 0.00 N +ATOM 795 CA MET A 47 8.588 -6.511 6.442 1.00 0.00 C +ATOM 796 C MET A 47 9.530 -5.557 5.735 1.00 0.00 C +ATOM 797 O MET A 47 9.763 -4.453 6.239 1.00 0.00 O +ATOM 798 CB MET A 47 7.136 -6.120 6.170 1.00 0.00 C +ATOM 799 CG MET A 47 6.102 -7.079 6.759 1.00 0.00 C +ATOM 800 SD MET A 47 6.195 -8.750 6.059 1.00 0.00 S +ATOM 801 CE MET A 47 5.758 -8.432 4.342 1.00 0.00 C +ATOM 802 H MET A 47 8.555 -5.737 8.411 1.00 0.00 H +ATOM 803 HA MET A 47 8.759 -7.516 6.085 1.00 0.00 H +ATOM 804 HB2 MET A 47 6.981 -5.135 6.584 1.00 0.00 H +ATOM 805 HB3 MET A 47 6.987 -6.066 5.103 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.262 -7.139 7.826 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.116 -6.679 6.572 1.00 0.00 H +ATOM 808 HE1 MET A 47 4.771 -7.994 4.298 1.00 0.00 H +ATOM 809 HE2 MET A 47 5.762 -9.359 3.790 1.00 0.00 H +ATOM 810 HE3 MET A 47 6.473 -7.751 3.904 1.00 0.00 H +ATOM 811 N PRO A 48 10.100 -5.956 4.575 1.00 0.00 N +ATOM 812 CA PRO A 48 11.064 -5.130 3.822 1.00 0.00 C +ATOM 813 C PRO A 48 10.460 -3.810 3.339 1.00 0.00 C +ATOM 814 O PRO A 48 9.749 -3.772 2.317 1.00 0.00 O +ATOM 815 CB PRO A 48 11.466 -6.013 2.635 1.00 0.00 C +ATOM 816 CG PRO A 48 10.364 -7.010 2.507 1.00 0.00 C +ATOM 817 CD PRO A 48 9.856 -7.248 3.899 1.00 0.00 C +ATOM 818 HA PRO A 48 11.933 -4.913 4.427 1.00 0.00 H +ATOM 819 HB2 PRO A 48 11.561 -5.405 1.748 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.407 -6.496 2.849 1.00 0.00 H +ATOM 821 HG2 PRO A 48 9.577 -6.604 1.887 1.00 0.00 H +ATOM 822 HG3 PRO A 48 10.742 -7.927 2.079 1.00 0.00 H +ATOM 823 HD2 PRO A 48 8.802 -7.484 3.879 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.412 -8.043 4.375 1.00 0.00 H +ATOM 825 N ASP A 49 10.681 -2.763 4.148 1.00 0.00 N +ATOM 826 CA ASP A 49 10.197 -1.395 3.909 1.00 0.00 C +ATOM 827 C ASP A 49 8.759 -1.347 3.493 1.00 0.00 C +ATOM 828 O ASP A 49 8.395 -0.655 2.544 1.00 0.00 O +ATOM 829 CB ASP A 49 11.084 -0.594 2.947 1.00 0.00 C +ATOM 830 CG ASP A 49 12.379 -0.175 3.585 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.353 0.609 4.558 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.458 -0.620 3.130 1.00 0.00 O +ATOM 833 H ASP A 49 11.199 -2.944 4.960 1.00 0.00 H +ATOM 834 HA ASP A 49 10.232 -0.906 4.872 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.301 -1.205 2.084 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.548 0.289 2.628 1.00 0.00 H +ATOM 837 N CYS A 50 7.937 -2.081 4.199 1.00 0.00 N +ATOM 838 CA CYS A 50 6.545 -2.082 3.915 1.00 0.00 C +ATOM 839 C CYS A 50 5.856 -1.182 4.908 1.00 0.00 C +ATOM 840 O CYS A 50 6.231 -1.138 6.095 1.00 0.00 O +ATOM 841 CB CYS A 50 5.997 -3.499 3.970 1.00 0.00 C +ATOM 842 SG CYS A 50 6.875 -4.651 2.885 1.00 0.00 S +ATOM 843 H CYS A 50 8.272 -2.621 4.944 1.00 0.00 H +ATOM 844 HA CYS A 50 6.401 -1.682 2.924 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.080 -3.868 4.982 1.00 0.00 H +ATOM 846 HB3 CYS A 50 4.960 -3.491 3.674 1.00 0.00 H +ATOM 847 HG CYS A 50 8.047 -4.088 2.607 1.00 0.00 H +ATOM 848 N TYR A 51 4.886 -0.467 4.438 1.00 0.00 N +ATOM 849 CA TYR A 51 4.193 0.501 5.222 1.00 0.00 C +ATOM 850 C TYR A 51 2.709 0.307 5.060 1.00 0.00 C +ATOM 851 O TYR A 51 2.246 -0.080 3.980 1.00 0.00 O +ATOM 852 CB TYR A 51 4.590 1.929 4.787 1.00 0.00 C +ATOM 853 CG TYR A 51 6.077 2.227 4.901 1.00 0.00 C +ATOM 854 CD1 TYR A 51 6.943 1.904 3.875 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.612 2.816 6.030 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.292 2.155 3.973 1.00 0.00 C +ATOM 857 CE2 TYR A 51 7.961 3.073 6.126 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.792 2.736 5.093 1.00 0.00 C +ATOM 859 OH TYR A 51 10.142 2.975 5.193 1.00 0.00 O +ATOM 860 H TYR A 51 4.612 -0.586 3.500 1.00 0.00 H +ATOM 861 HA TYR A 51 4.463 0.369 6.259 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.307 2.073 3.755 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.058 2.642 5.399 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.546 1.442 2.985 1.00 0.00 H +ATOM 865 HD2 TYR A 51 5.967 3.081 6.855 1.00 0.00 H +ATOM 866 HE1 TYR A 51 8.949 1.894 3.157 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.360 3.538 7.016 1.00 0.00 H +ATOM 868 HH TYR A 51 10.483 3.280 4.348 1.00 0.00 H +ATOM 869 N LYS A 52 1.975 0.561 6.114 1.00 0.00 N +ATOM 870 CA LYS A 52 0.546 0.420 6.091 1.00 0.00 C +ATOM 871 C LYS A 52 -0.110 1.762 6.302 1.00 0.00 C +ATOM 872 O LYS A 52 0.380 2.600 7.075 1.00 0.00 O +ATOM 873 CB LYS A 52 0.007 -0.596 7.156 1.00 0.00 C +ATOM 874 CG LYS A 52 -0.026 -0.124 8.644 1.00 0.00 C +ATOM 875 CD LYS A 52 1.357 0.110 9.234 1.00 0.00 C +ATOM 876 CE LYS A 52 1.319 0.509 10.712 1.00 0.00 C +ATOM 877 NZ LYS A 52 0.698 1.836 10.953 1.00 0.00 N +ATOM 878 H LYS A 52 2.429 0.881 6.926 1.00 0.00 H +ATOM 879 HA LYS A 52 0.276 0.061 5.109 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -1.003 -0.862 6.882 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.615 -1.486 7.098 1.00 0.00 H +ATOM 882 HG2 LYS A 52 -0.576 0.805 8.696 1.00 0.00 H +ATOM 883 HG3 LYS A 52 -0.540 -0.872 9.229 1.00 0.00 H +ATOM 884 HD2 LYS A 52 1.935 -0.795 9.131 1.00 0.00 H +ATOM 885 HD3 LYS A 52 1.837 0.900 8.674 1.00 0.00 H +ATOM 886 HE2 LYS A 52 0.771 -0.237 11.269 1.00 0.00 H +ATOM 887 HE3 LYS A 52 2.340 0.534 11.059 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 0.652 2.044 11.971 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 -0.280 1.889 10.607 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 1.228 2.615 10.517 1.00 0.00 H +ATOM 891 N ILE A 53 -1.165 1.983 5.600 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.987 3.139 5.802 1.00 0.00 C +ATOM 893 C ILE A 53 -3.368 2.640 6.138 1.00 0.00 C +ATOM 894 O ILE A 53 -3.826 1.656 5.553 1.00 0.00 O +ATOM 895 CB ILE A 53 -2.049 4.067 4.551 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.635 4.541 4.171 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -2.969 5.269 4.822 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.582 5.443 2.955 1.00 0.00 C +ATOM 899 H ILE A 53 -1.407 1.330 4.903 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.595 3.686 6.647 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.466 3.502 3.731 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.216 5.091 5.000 1.00 0.00 H +ATOM 903 HG13 ILE A 53 -0.018 3.676 3.978 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -3.009 5.905 3.951 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.595 5.847 5.655 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.969 4.932 5.055 1.00 0.00 H +ATOM 907 HD11 ILE A 53 0.446 5.699 2.743 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -1.137 6.345 3.163 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -1.015 4.936 2.106 1.00 0.00 H +ATOM 910 N LYS A 54 -4.001 3.265 7.086 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.316 2.868 7.484 1.00 0.00 C +ATOM 912 C LYS A 54 -6.290 3.996 7.275 1.00 0.00 C +ATOM 913 O LYS A 54 -6.000 5.155 7.605 1.00 0.00 O +ATOM 914 CB LYS A 54 -5.388 2.283 8.926 1.00 0.00 C +ATOM 915 CG LYS A 54 -5.161 3.246 10.084 1.00 0.00 C +ATOM 916 CD LYS A 54 -3.775 3.847 10.094 1.00 0.00 C +ATOM 917 CE LYS A 54 -3.601 4.698 11.292 1.00 0.00 C +ATOM 918 NZ LYS A 54 -2.268 5.336 11.334 1.00 0.00 N +ATOM 919 H LYS A 54 -3.584 4.046 7.499 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.590 2.092 6.794 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -6.366 1.846 9.065 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.658 1.489 8.998 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -5.879 4.050 10.008 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -5.321 2.712 11.010 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -3.026 3.071 10.089 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -3.657 4.475 9.225 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -4.379 5.442 11.209 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -3.764 4.073 12.155 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -1.503 4.638 11.242 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -2.130 5.808 12.249 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -2.160 6.059 10.596 1.00 0.00 H +ATOM 932 N LEU A 55 -7.398 3.679 6.678 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.433 4.642 6.411 1.00 0.00 C +ATOM 934 C LEU A 55 -9.265 4.732 7.683 1.00 0.00 C +ATOM 935 O LEU A 55 -9.870 3.739 8.089 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.272 4.146 5.219 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.974 5.202 4.346 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -10.659 4.531 3.188 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -10.978 6.020 5.124 1.00 0.00 C +ATOM 940 H LEU A 55 -7.517 2.738 6.416 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.984 5.597 6.186 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.625 3.569 4.577 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -10.030 3.482 5.608 1.00 0.00 H +ATOM 944 HG LEU A 55 -9.224 5.866 3.941 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -11.376 3.817 3.563 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -9.928 4.024 2.576 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -11.176 5.271 2.596 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.748 5.372 5.516 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -11.417 6.748 4.456 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -10.472 6.520 5.935 1.00 0.00 H +ATOM 951 N ARG A 56 -9.286 5.912 8.282 1.00 0.00 N +ATOM 952 CA ARG A 56 -9.861 6.149 9.612 1.00 0.00 C +ATOM 953 C ARG A 56 -11.295 5.628 9.778 1.00 0.00 C +ATOM 954 O ARG A 56 -11.558 4.823 10.671 1.00 0.00 O +ATOM 955 CB ARG A 56 -9.779 7.642 9.970 1.00 0.00 C +ATOM 956 CG ARG A 56 -10.227 7.999 11.388 1.00 0.00 C +ATOM 957 CD ARG A 56 -9.327 7.365 12.443 1.00 0.00 C +ATOM 958 NE ARG A 56 -7.921 7.772 12.283 1.00 0.00 N +ATOM 959 CZ ARG A 56 -6.942 7.538 13.164 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -7.201 6.933 14.325 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -5.708 7.925 12.884 1.00 0.00 N +ATOM 962 H ARG A 56 -8.899 6.680 7.807 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.238 5.614 10.313 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -8.756 7.967 9.855 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -10.396 8.192 9.277 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -10.200 9.072 11.508 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -11.237 7.647 11.529 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -9.668 7.676 13.420 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -9.392 6.289 12.367 1.00 0.00 H +ATOM 970 HE ARG A 56 -7.703 8.251 11.449 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -8.122 6.638 14.594 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -6.489 6.739 15.005 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -5.506 8.386 12.012 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -4.931 7.809 13.508 1.00 0.00 H +ATOM 975 N SER A 57 -12.208 6.076 8.946 1.00 0.00 N +ATOM 976 CA SER A 57 -13.592 5.667 9.096 1.00 0.00 C +ATOM 977 C SER A 57 -13.830 4.242 8.597 1.00 0.00 C +ATOM 978 O SER A 57 -14.354 3.400 9.335 1.00 0.00 O +ATOM 979 CB SER A 57 -14.536 6.649 8.394 1.00 0.00 C +ATOM 980 OG SER A 57 -15.893 6.311 8.631 1.00 0.00 O +ATOM 981 H SER A 57 -11.956 6.715 8.244 1.00 0.00 H +ATOM 982 HA SER A 57 -13.812 5.684 10.152 1.00 0.00 H +ATOM 983 HB2 SER A 57 -14.364 7.650 8.758 1.00 0.00 H +ATOM 984 HB3 SER A 57 -14.354 6.617 7.330 1.00 0.00 H +ATOM 985 HG SER A 57 -16.255 7.004 9.198 1.00 0.00 H +ATOM 986 N SER A 58 -13.438 3.976 7.367 1.00 0.00 N +ATOM 987 CA SER A 58 -13.698 2.707 6.717 1.00 0.00 C +ATOM 988 C SER A 58 -12.999 1.513 7.407 1.00 0.00 C +ATOM 989 O SER A 58 -13.545 0.409 7.439 1.00 0.00 O +ATOM 990 CB SER A 58 -13.258 2.819 5.279 1.00 0.00 C +ATOM 991 OG SER A 58 -13.728 4.030 4.726 1.00 0.00 O +ATOM 992 H SER A 58 -12.982 4.659 6.833 1.00 0.00 H +ATOM 993 HA SER A 58 -14.765 2.539 6.725 1.00 0.00 H +ATOM 994 HB2 SER A 58 -12.181 2.801 5.232 1.00 0.00 H +ATOM 995 HB3 SER A 58 -13.664 1.996 4.709 1.00 0.00 H +ATOM 996 HG SER A 58 -14.657 3.922 4.492 1.00 0.00 H +ATOM 997 N GLY A 59 -11.806 1.734 7.945 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.096 0.661 8.603 1.00 0.00 C +ATOM 999 C GLY A 59 -10.362 -0.230 7.622 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.137 -1.423 7.879 1.00 0.00 O +ATOM 1001 H GLY A 59 -11.397 2.628 7.927 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.387 1.077 9.303 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.815 0.061 9.136 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.007 0.325 6.500 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.269 -0.406 5.495 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.799 -0.138 5.650 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.406 0.930 6.123 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.725 -0.045 4.081 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.049 -0.654 3.667 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.240 -0.247 4.237 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.099 -1.632 2.684 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.442 -0.791 3.846 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.302 -2.177 2.282 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.468 -1.751 2.865 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.671 -2.280 2.459 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.223 1.268 6.356 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.449 -1.459 5.663 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -9.822 1.028 4.009 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -8.972 -0.376 3.380 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.214 0.507 5.009 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.179 -1.963 2.227 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.361 -0.458 4.304 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.323 -2.938 1.516 1.00 0.00 H +ATOM 1024 HH TYR A 60 -14.544 -3.226 2.302 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.001 -1.096 5.282 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.567 -0.999 5.372 1.00 0.00 C +ATOM 1027 C ARG A 61 -4.955 -1.237 4.005 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.439 -2.070 3.237 1.00 0.00 O +ATOM 1029 CB ARG A 61 -4.964 -2.009 6.381 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.135 -1.699 7.882 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.568 -1.832 8.403 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.601 -1.672 9.866 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -7.648 -1.932 10.686 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -8.851 -2.218 10.199 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.489 -1.849 11.991 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.383 -1.904 4.867 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.323 0.004 5.691 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.416 -2.971 6.199 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -3.907 -2.091 6.172 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.512 -2.377 8.446 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -4.792 -0.690 8.058 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -7.181 -1.070 7.944 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.951 -2.809 8.148 1.00 0.00 H +ATOM 1044 HE ARG A 61 -5.740 -1.382 10.249 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -9.059 -2.243 9.219 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -9.624 -2.435 10.808 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -6.613 -1.599 12.410 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -8.237 -2.024 12.640 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.934 -0.503 3.703 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.213 -0.640 2.463 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.747 -0.833 2.809 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.218 -0.095 3.640 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.448 0.625 1.593 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.901 0.633 0.143 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.569 1.736 -0.648 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.397 0.851 0.110 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.640 0.182 4.345 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.579 -1.514 1.946 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.514 0.793 1.539 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.008 1.460 2.118 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.128 -0.308 -0.337 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.371 2.690 -0.184 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -4.634 1.556 -0.669 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.187 1.731 -1.658 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.055 0.883 -0.914 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -0.911 0.037 0.629 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.164 1.780 0.606 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.108 -1.826 2.207 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.290 -2.116 2.481 1.00 0.00 C +ATOM 1070 C VAL A 63 1.115 -2.048 1.191 1.00 0.00 C +ATOM 1071 O VAL A 63 0.837 -2.762 0.200 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.474 -3.513 3.162 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.944 -3.797 3.457 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.332 -3.599 4.450 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.563 -2.386 1.537 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.648 -1.353 3.156 1.00 0.00 H +ATOM 1077 HB VAL A 63 0.114 -4.272 2.483 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.035 -4.768 3.923 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.315 -3.052 4.146 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 2.518 -3.772 2.544 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.013 -2.817 5.125 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.161 -4.559 4.916 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -1.384 -3.482 4.232 1.00 0.00 H +ATOM 1084 N TYR A 64 2.112 -1.205 1.206 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.998 -1.014 0.080 1.00 0.00 C +ATOM 1086 C TYR A 64 4.425 -1.062 0.563 1.00 0.00 C +ATOM 1087 O TYR A 64 4.674 -0.856 1.743 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.723 0.343 -0.620 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.939 1.580 0.244 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.202 2.143 0.393 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.880 2.179 0.903 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.398 3.254 1.175 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 2.068 3.296 1.683 1.00 0.00 C +ATOM 1094 CZ TYR A 64 3.331 3.827 1.816 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.529 4.922 2.609 1.00 0.00 O +ATOM 1096 H TYR A 64 2.279 -0.695 2.031 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.847 -1.810 -0.635 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.364 0.435 -1.484 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.695 0.346 -0.950 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 5.041 1.688 -0.114 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.894 1.755 0.795 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.384 3.681 1.278 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 1.223 3.751 2.179 1.00 0.00 H +ATOM 1104 HH TYR A 64 3.064 4.781 3.436 1.00 0.00 H +ATOM 1105 N GLN A 65 5.341 -1.347 -0.311 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.732 -1.288 0.038 1.00 0.00 C +ATOM 1107 C GLN A 65 7.394 -0.175 -0.723 1.00 0.00 C +ATOM 1108 O GLN A 65 7.090 0.059 -1.895 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.478 -2.607 -0.185 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.449 -3.134 -1.609 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.432 -4.267 -1.837 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 8.920 -4.457 -2.946 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 8.779 -4.989 -0.791 1.00 0.00 N +ATOM 1114 H GLN A 65 5.076 -1.588 -1.228 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.782 -1.026 1.084 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.512 -2.469 0.094 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 7.046 -3.358 0.460 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.453 -3.488 -1.831 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.695 -2.320 -2.277 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 8.398 -4.769 0.086 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.419 -5.716 -0.939 1.00 0.00 H +ATOM 1122 N VAL A 66 8.252 0.522 -0.067 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.961 1.601 -0.683 1.00 0.00 C +ATOM 1124 C VAL A 66 10.217 1.070 -1.315 1.00 0.00 C +ATOM 1125 O VAL A 66 11.119 0.598 -0.619 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.316 2.718 0.338 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 10.189 3.794 -0.291 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 8.059 3.343 0.885 1.00 0.00 C +ATOM 1129 H VAL A 66 8.430 0.281 0.871 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.331 2.021 -1.453 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.859 2.273 1.160 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 11.103 3.343 -0.648 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 10.422 4.540 0.455 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.663 4.254 -1.114 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.442 2.577 1.331 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.514 3.844 0.100 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 8.332 4.059 1.646 1.00 0.00 H +ATOM 1138 N ILE A 67 10.266 1.099 -2.618 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.450 0.708 -3.302 1.00 0.00 C +ATOM 1140 C ILE A 67 12.175 1.985 -3.643 1.00 0.00 C +ATOM 1141 O ILE A 67 11.871 2.649 -4.644 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.156 -0.068 -4.604 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.102 -1.156 -4.360 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.452 -0.701 -5.114 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.650 -1.857 -5.622 1.00 0.00 C +ATOM 1146 H ILE A 67 9.497 1.400 -3.152 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.054 0.109 -2.638 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.793 0.626 -5.348 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.506 -1.896 -3.687 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.236 -0.704 -3.902 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 13.176 0.073 -5.319 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 12.249 -1.256 -6.018 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 12.845 -1.371 -4.362 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 9.229 -1.128 -6.299 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 8.906 -2.600 -5.377 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 10.499 -2.332 -6.091 1.00 0.00 H +ATOM 1157 N ASP A 68 13.100 2.349 -2.804 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.823 3.603 -2.949 1.00 0.00 C +ATOM 1159 C ASP A 68 14.759 3.539 -4.132 1.00 0.00 C +ATOM 1160 O ASP A 68 14.968 4.540 -4.823 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.576 3.945 -1.664 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.338 5.253 -1.746 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 16.496 5.250 -2.232 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 14.807 6.297 -1.289 1.00 0.00 O +ATOM 1165 H ASP A 68 13.318 1.746 -2.061 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.098 4.375 -3.148 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 13.866 4.019 -0.854 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.273 3.150 -1.448 1.00 0.00 H +ATOM 1169 N GLU A 69 15.267 2.342 -4.396 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.145 2.098 -5.532 1.00 0.00 C +ATOM 1171 C GLU A 69 15.450 2.422 -6.847 1.00 0.00 C +ATOM 1172 O GLU A 69 16.064 2.917 -7.776 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.594 0.645 -5.574 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.432 0.195 -4.401 1.00 0.00 C +ATOM 1175 CD GLU A 69 17.949 -1.203 -4.604 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 19.022 -1.356 -5.217 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 17.283 -2.173 -4.181 1.00 0.00 O +ATOM 1178 H GLU A 69 15.061 1.608 -3.778 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.018 2.724 -5.423 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.716 0.018 -5.609 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.161 0.492 -6.478 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 18.272 0.866 -4.296 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 16.831 0.221 -3.503 1.00 0.00 H +ATOM 1184 N LYS A 70 14.166 2.150 -6.912 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.415 2.360 -8.134 1.00 0.00 C +ATOM 1186 C LYS A 70 12.537 3.605 -8.030 1.00 0.00 C +ATOM 1187 O LYS A 70 11.847 3.965 -8.975 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.597 1.107 -8.466 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.467 -0.131 -8.674 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.646 -1.388 -8.911 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.555 -2.605 -9.033 1.00 0.00 C +ATOM 1192 NZ LYS A 70 12.802 -3.862 -9.163 1.00 0.00 N +ATOM 1193 H LYS A 70 13.715 1.807 -6.114 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.136 2.523 -8.921 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 11.922 0.909 -7.647 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.028 1.280 -9.367 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.106 0.032 -9.528 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.079 -0.270 -7.795 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 11.960 -1.535 -8.092 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.089 -1.274 -9.830 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 14.178 -2.488 -9.906 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 14.183 -2.655 -8.156 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 12.189 -4.016 -8.334 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 13.444 -4.677 -9.224 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 12.198 -3.860 -10.008 1.00 0.00 H +ATOM 1206 N VAL A 71 12.587 4.254 -6.856 1.00 0.00 N +ATOM 1207 CA VAL A 71 11.855 5.511 -6.561 1.00 0.00 C +ATOM 1208 C VAL A 71 10.319 5.296 -6.736 1.00 0.00 C +ATOM 1209 O VAL A 71 9.557 6.197 -7.078 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.389 6.702 -7.459 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 11.841 8.057 -7.005 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 13.916 6.742 -7.457 1.00 0.00 C +ATOM 1213 H VAL A 71 13.147 3.877 -6.146 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.037 5.738 -5.521 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.059 6.529 -8.472 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 10.765 8.052 -7.076 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.240 8.835 -7.637 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.135 8.242 -5.982 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.303 5.811 -7.846 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.268 6.881 -6.447 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.256 7.562 -8.073 1.00 0.00 H +ATOM 1222 N VAL A 72 9.871 4.113 -6.425 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.483 3.774 -6.594 1.00 0.00 C +ATOM 1224 C VAL A 72 8.011 2.958 -5.403 1.00 0.00 C +ATOM 1225 O VAL A 72 8.777 2.165 -4.842 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.244 2.997 -7.944 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 8.997 1.683 -7.997 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 6.768 2.775 -8.226 1.00 0.00 C +ATOM 1229 H VAL A 72 10.477 3.447 -6.032 1.00 0.00 H +ATOM 1230 HA VAL A 72 7.919 4.696 -6.623 1.00 0.00 H +ATOM 1231 HB VAL A 72 8.649 3.603 -8.740 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 8.791 1.207 -8.945 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 8.670 1.048 -7.186 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 10.055 1.880 -7.912 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.262 3.728 -8.286 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.334 2.188 -7.430 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.656 2.248 -9.162 1.00 0.00 H +ATOM 1238 N VAL A 73 6.810 3.202 -4.959 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.256 2.433 -3.933 1.00 0.00 C +ATOM 1240 C VAL A 73 5.356 1.384 -4.567 1.00 0.00 C +ATOM 1241 O VAL A 73 4.517 1.685 -5.434 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.512 3.286 -2.867 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 6.418 4.358 -2.293 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 4.222 3.894 -3.376 1.00 0.00 C +ATOM 1245 H VAL A 73 6.237 3.908 -5.328 1.00 0.00 H +ATOM 1246 HA VAL A 73 7.080 1.914 -3.463 1.00 0.00 H +ATOM 1247 HB VAL A 73 5.280 2.595 -2.079 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 6.702 5.049 -3.073 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 7.309 3.891 -1.899 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 5.903 4.887 -1.504 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 3.556 3.086 -3.647 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 4.424 4.507 -4.242 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 3.767 4.487 -2.597 1.00 0.00 H +ATOM 1254 N PHE A 74 5.575 0.178 -4.199 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.879 -0.931 -4.766 1.00 0.00 C +ATOM 1256 C PHE A 74 3.818 -1.403 -3.802 1.00 0.00 C +ATOM 1257 O PHE A 74 4.134 -1.921 -2.730 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.905 -2.039 -5.069 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.347 -3.327 -5.600 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.891 -3.419 -6.899 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 5.310 -4.455 -4.800 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.406 -4.610 -7.389 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.823 -5.648 -5.283 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.372 -5.725 -6.579 1.00 0.00 C +ATOM 1265 H PHE A 74 6.232 0.014 -3.485 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.421 -0.619 -5.693 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.605 -1.670 -5.803 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.447 -2.256 -4.160 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 4.916 -2.545 -7.532 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.666 -4.392 -3.782 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.051 -4.675 -8.406 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.795 -6.520 -4.647 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.993 -6.661 -6.963 1.00 0.00 H +ATOM 1274 N VAL A 75 2.571 -1.181 -4.151 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.473 -1.637 -3.338 1.00 0.00 C +ATOM 1276 C VAL A 75 1.344 -3.123 -3.548 1.00 0.00 C +ATOM 1277 O VAL A 75 1.138 -3.585 -4.679 1.00 0.00 O +ATOM 1278 CB VAL A 75 0.140 -0.923 -3.704 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.005 -1.403 -2.812 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.295 0.593 -3.603 1.00 0.00 C +ATOM 1281 H VAL A 75 2.392 -0.697 -4.990 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.715 -1.446 -2.304 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.109 -1.171 -4.725 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.145 -2.466 -2.946 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -1.918 -0.885 -3.072 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -0.762 -1.204 -1.778 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 -0.636 1.065 -3.878 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 1.078 0.922 -4.271 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.551 0.866 -2.591 1.00 0.00 H +ATOM 1290 N ILE A 76 1.466 -3.865 -2.481 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.483 -5.301 -2.578 1.00 0.00 C +ATOM 1292 C ILE A 76 0.089 -5.840 -2.344 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.369 -6.750 -3.033 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.439 -5.926 -1.525 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.802 -5.217 -1.536 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.628 -7.412 -1.824 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.750 -5.687 -0.450 1.00 0.00 C +ATOM 1298 H ILE A 76 1.542 -3.433 -1.602 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.823 -5.578 -3.564 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.992 -5.824 -0.548 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.280 -5.402 -2.487 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.652 -4.155 -1.415 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 1.674 -7.916 -1.767 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 3.311 -7.835 -1.103 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 3.041 -7.529 -2.816 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 5.683 -5.149 -0.520 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.934 -6.746 -0.568 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 4.303 -5.509 0.517 1.00 0.00 H +ATOM 1309 N SER A 77 -0.588 -5.281 -1.369 1.00 0.00 N +ATOM 1310 CA SER A 77 -1.917 -5.707 -1.016 1.00 0.00 C +ATOM 1311 C SER A 77 -2.681 -4.557 -0.387 1.00 0.00 C +ATOM 1312 O SER A 77 -2.079 -3.633 0.185 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.855 -6.922 -0.075 1.00 0.00 C +ATOM 1314 OG SER A 77 -1.232 -8.030 -0.725 1.00 0.00 O +ATOM 1315 H SER A 77 -0.204 -4.537 -0.853 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.417 -5.998 -1.928 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.282 -6.669 0.804 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.856 -7.208 0.212 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.822 -7.673 -1.527 1.00 0.00 H +ATOM 1320 N VAL A 78 -3.977 -4.595 -0.509 1.00 0.00 N +ATOM 1321 CA VAL A 78 -4.834 -3.555 -0.003 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.161 -4.182 0.398 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.544 -5.196 -0.153 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.041 -2.427 -1.078 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.664 -2.968 -2.352 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -5.861 -1.272 -0.535 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.416 -5.365 -0.934 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.363 -3.132 0.872 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.061 -2.053 -1.340 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -5.019 -3.724 -2.775 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.791 -2.164 -3.063 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -6.626 -3.403 -2.126 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.358 -0.853 0.324 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -6.840 -1.625 -0.248 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -5.958 -0.515 -1.298 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.799 -3.650 1.391 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.076 -4.157 1.772 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.238 -4.158 3.253 1.00 0.00 C +ATOM 1339 O GLY A 79 -8.287 -3.100 3.883 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.394 -2.919 1.911 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.842 -3.538 1.330 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.179 -5.167 1.404 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.290 -5.313 3.833 1.00 0.00 N +ATOM 1344 CA LYS A 80 -8.476 -5.406 5.245 1.00 0.00 C +ATOM 1345 C LYS A 80 -7.382 -6.209 5.888 1.00 0.00 C +ATOM 1346 O LYS A 80 -6.886 -7.186 5.320 1.00 0.00 O +ATOM 1347 CB LYS A 80 -9.837 -6.008 5.587 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.024 -5.182 5.110 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.343 -5.837 5.477 1.00 0.00 C +ATOM 1350 CE LYS A 80 -12.531 -5.930 6.986 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -13.783 -6.622 7.355 1.00 0.00 N +ATOM 1352 H LYS A 80 -8.184 -6.135 3.308 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.446 -4.403 5.641 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -9.906 -6.990 5.142 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -9.894 -6.104 6.661 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -10.981 -4.205 5.569 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -10.966 -5.077 4.037 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -13.145 -5.243 5.062 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -12.369 -6.830 5.053 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -11.704 -6.468 7.423 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -12.558 -4.924 7.378 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -14.610 -6.152 6.939 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -13.895 -6.631 8.391 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -13.756 -7.610 7.034 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.002 -5.777 7.047 1.00 0.00 N +ATOM 1366 CA ALA A 81 -6.046 -6.448 7.859 1.00 0.00 C +ATOM 1367 C ALA A 81 -6.705 -6.657 9.182 1.00 0.00 C +ATOM 1368 O ALA A 81 -7.090 -5.686 9.840 1.00 0.00 O +ATOM 1369 CB ALA A 81 -4.791 -5.604 8.018 1.00 0.00 C +ATOM 1370 H ALA A 81 -7.400 -4.966 7.422 1.00 0.00 H +ATOM 1371 HA ALA A 81 -5.798 -7.397 7.409 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -5.057 -4.645 8.438 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -4.329 -5.458 7.054 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -4.098 -6.105 8.678 1.00 0.00 H +ATOM 1375 N GLU A 82 -6.902 -7.881 9.537 1.00 0.00 N +ATOM 1376 CA GLU A 82 -7.567 -8.207 10.757 1.00 0.00 C +ATOM 1377 C GLU A 82 -6.710 -9.157 11.589 1.00 0.00 C +ATOM 1378 O GLU A 82 -6.690 -9.067 12.817 1.00 0.00 O +ATOM 1379 CB GLU A 82 -8.946 -8.793 10.447 1.00 0.00 C +ATOM 1380 CG GLU A 82 -9.819 -9.040 11.658 1.00 0.00 C +ATOM 1381 CD GLU A 82 -11.213 -9.442 11.275 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -12.057 -8.553 11.059 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -11.493 -10.657 11.179 1.00 0.00 O +ATOM 1384 H GLU A 82 -6.600 -8.616 8.949 1.00 0.00 H +ATOM 1385 HA GLU A 82 -7.696 -7.292 11.313 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -9.472 -8.113 9.794 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -8.810 -9.731 9.929 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -9.379 -9.830 12.249 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -9.865 -8.136 12.247 1.00 0.00 H +ATOM 1390 N ALA A 83 -5.990 -10.044 10.933 1.00 0.00 N +ATOM 1391 CA ALA A 83 -5.106 -10.955 11.637 1.00 0.00 C +ATOM 1392 C ALA A 83 -3.690 -10.912 11.068 1.00 0.00 C +ATOM 1393 O ALA A 83 -2.775 -10.412 11.727 1.00 0.00 O +ATOM 1394 CB ALA A 83 -5.655 -12.376 11.658 1.00 0.00 C +ATOM 1395 H ALA A 83 -6.062 -10.094 9.950 1.00 0.00 H +ATOM 1396 HA ALA A 83 -5.051 -10.598 12.656 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -5.671 -12.768 10.652 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -6.658 -12.365 12.057 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -5.028 -12.999 12.278 1.00 0.00 H +ATOM 1400 N SER A 84 -3.499 -11.408 9.856 1.00 0.00 N +ATOM 1401 CA SER A 84 -2.162 -11.420 9.263 1.00 0.00 C +ATOM 1402 C SER A 84 -2.259 -11.561 7.728 1.00 0.00 C +ATOM 1403 O SER A 84 -1.298 -11.960 7.043 1.00 0.00 O +ATOM 1404 CB SER A 84 -1.333 -12.575 9.883 1.00 0.00 C +ATOM 1405 OG SER A 84 0.051 -12.477 9.560 1.00 0.00 O +ATOM 1406 H SER A 84 -4.272 -11.778 9.367 1.00 0.00 H +ATOM 1407 HA SER A 84 -1.702 -10.478 9.520 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -1.434 -12.537 10.957 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -1.713 -13.519 9.521 1.00 0.00 H +ATOM 1410 HG SER A 84 0.536 -12.375 10.387 1.00 0.00 H +ATOM 1411 N GLU A 85 -3.396 -11.153 7.194 1.00 0.00 N +ATOM 1412 CA GLU A 85 -3.727 -11.295 5.777 1.00 0.00 C +ATOM 1413 C GLU A 85 -2.739 -10.528 4.924 1.00 0.00 C +ATOM 1414 O GLU A 85 -2.091 -11.084 4.041 1.00 0.00 O +ATOM 1415 CB GLU A 85 -5.148 -10.749 5.487 1.00 0.00 C +ATOM 1416 CG GLU A 85 -6.303 -11.372 6.284 1.00 0.00 C +ATOM 1417 CD GLU A 85 -6.174 -11.137 7.763 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -6.123 -9.989 8.190 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -5.978 -12.100 8.511 1.00 0.00 O +ATOM 1420 H GLU A 85 -4.082 -10.733 7.758 1.00 0.00 H +ATOM 1421 HA GLU A 85 -3.701 -12.343 5.519 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -5.152 -9.688 5.691 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -5.344 -10.894 4.437 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -7.231 -10.936 5.948 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -6.321 -12.436 6.099 1.00 0.00 H +ATOM 1426 N VAL A 86 -2.559 -9.267 5.265 1.00 0.00 N +ATOM 1427 CA VAL A 86 -1.705 -8.375 4.497 1.00 0.00 C +ATOM 1428 C VAL A 86 -0.219 -8.661 4.705 1.00 0.00 C +ATOM 1429 O VAL A 86 0.611 -8.083 4.051 1.00 0.00 O +ATOM 1430 CB VAL A 86 -2.003 -6.882 4.794 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -3.440 -6.536 4.425 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -1.720 -6.544 6.258 1.00 0.00 C +ATOM 1433 H VAL A 86 -3.033 -8.921 6.048 1.00 0.00 H +ATOM 1434 HA VAL A 86 -1.929 -8.556 3.456 1.00 0.00 H +ATOM 1435 HB VAL A 86 -1.359 -6.282 4.169 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -4.116 -7.150 5.000 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -3.595 -6.715 3.372 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -3.627 -5.494 4.642 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -1.931 -5.500 6.434 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -0.683 -6.748 6.480 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -2.348 -7.151 6.892 1.00 0.00 H +ATOM 1442 N TYR A 87 0.102 -9.527 5.641 1.00 0.00 N +ATOM 1443 CA TYR A 87 1.482 -9.902 5.862 1.00 0.00 C +ATOM 1444 C TYR A 87 1.817 -11.132 5.048 1.00 0.00 C +ATOM 1445 O TYR A 87 2.773 -11.135 4.273 1.00 0.00 O +ATOM 1446 CB TYR A 87 1.769 -10.157 7.339 1.00 0.00 C +ATOM 1447 CG TYR A 87 1.618 -8.946 8.226 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 2.681 -8.077 8.430 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 0.427 -8.685 8.874 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 2.552 -6.979 9.253 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 0.288 -7.597 9.704 1.00 0.00 C +ATOM 1452 CZ TYR A 87 1.351 -6.746 9.891 1.00 0.00 C +ATOM 1453 OH TYR A 87 1.215 -5.662 10.733 1.00 0.00 O +ATOM 1454 H TYR A 87 -0.613 -9.936 6.169 1.00 0.00 H +ATOM 1455 HA TYR A 87 2.098 -9.085 5.517 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 1.087 -10.912 7.702 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 2.779 -10.521 7.441 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 3.617 -8.262 7.926 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 -0.404 -9.353 8.715 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 3.388 -6.310 9.390 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 -0.654 -7.413 10.199 1.00 0.00 H +ATOM 1462 HH TYR A 87 0.768 -5.981 11.531 1.00 0.00 H +ATOM 1463 N SER A 88 0.991 -12.154 5.202 1.00 0.00 N +ATOM 1464 CA SER A 88 1.192 -13.439 4.559 1.00 0.00 C +ATOM 1465 C SER A 88 1.173 -13.312 3.035 1.00 0.00 C +ATOM 1466 O SER A 88 2.106 -13.756 2.350 1.00 0.00 O +ATOM 1467 CB SER A 88 0.101 -14.401 5.022 1.00 0.00 C +ATOM 1468 OG SER A 88 0.016 -14.424 6.448 1.00 0.00 O +ATOM 1469 H SER A 88 0.207 -12.049 5.783 1.00 0.00 H +ATOM 1470 HA SER A 88 2.149 -13.838 4.858 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -0.850 -14.085 4.619 1.00 0.00 H +ATOM 1472 HB3 SER A 88 0.330 -15.396 4.671 1.00 0.00 H +ATOM 1473 HG SER A 88 -0.674 -13.802 6.715 1.00 0.00 H +ATOM 1474 N GLU A 89 0.152 -12.652 2.522 1.00 0.00 N +ATOM 1475 CA GLU A 89 -0.018 -12.510 1.092 1.00 0.00 C +ATOM 1476 C GLU A 89 1.060 -11.602 0.507 1.00 0.00 C +ATOM 1477 O GLU A 89 1.489 -11.781 -0.631 1.00 0.00 O +ATOM 1478 CB GLU A 89 -1.415 -11.968 0.783 1.00 0.00 C +ATOM 1479 CG GLU A 89 -2.548 -12.811 1.373 1.00 0.00 C +ATOM 1480 CD GLU A 89 -2.581 -14.232 0.855 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -1.834 -15.077 1.345 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -3.387 -14.522 -0.061 1.00 0.00 O +ATOM 1483 H GLU A 89 -0.523 -12.247 3.108 1.00 0.00 H +ATOM 1484 HA GLU A 89 0.081 -13.490 0.650 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -1.491 -10.968 1.183 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -1.546 -11.926 -0.289 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -2.430 -12.847 2.446 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -3.489 -12.334 1.140 1.00 0.00 H +ATOM 1489 N ALA A 90 1.532 -10.665 1.316 1.00 0.00 N +ATOM 1490 CA ALA A 90 2.542 -9.724 0.886 1.00 0.00 C +ATOM 1491 C ALA A 90 3.897 -10.385 0.776 1.00 0.00 C +ATOM 1492 O ALA A 90 4.541 -10.297 -0.264 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.615 -8.524 1.805 1.00 0.00 C +ATOM 1494 H ALA A 90 1.185 -10.623 2.231 1.00 0.00 H +ATOM 1495 HA ALA A 90 2.250 -9.380 -0.096 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 1.644 -8.059 1.874 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 3.330 -7.817 1.413 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 2.932 -8.846 2.786 1.00 0.00 H +ATOM 1499 N VAL A 91 4.318 -11.086 1.831 1.00 0.00 N +ATOM 1500 CA VAL A 91 5.633 -11.726 1.843 1.00 0.00 C +ATOM 1501 C VAL A 91 5.732 -12.786 0.739 1.00 0.00 C +ATOM 1502 O VAL A 91 6.770 -12.926 0.081 1.00 0.00 O +ATOM 1503 CB VAL A 91 6.020 -12.318 3.251 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 5.093 -13.445 3.692 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 7.478 -12.768 3.284 1.00 0.00 C +ATOM 1506 H VAL A 91 3.728 -11.169 2.615 1.00 0.00 H +ATOM 1507 HA VAL A 91 6.338 -10.949 1.588 1.00 0.00 H +ATOM 1508 HB VAL A 91 5.901 -11.523 3.972 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 4.081 -13.072 3.752 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 5.402 -13.809 4.660 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 5.136 -14.252 2.975 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 7.712 -13.164 4.261 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 8.121 -11.927 3.074 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 7.633 -13.534 2.540 1.00 0.00 H +ATOM 1515 N LYS A 92 4.622 -13.459 0.480 1.00 0.00 N +ATOM 1516 CA LYS A 92 4.570 -14.468 -0.553 1.00 0.00 C +ATOM 1517 C LYS A 92 4.535 -13.838 -1.941 1.00 0.00 C +ATOM 1518 O LYS A 92 4.825 -14.496 -2.933 1.00 0.00 O +ATOM 1519 CB LYS A 92 3.366 -15.401 -0.364 1.00 0.00 C +ATOM 1520 CG LYS A 92 3.434 -16.304 0.863 1.00 0.00 C +ATOM 1521 CD LYS A 92 4.643 -17.227 0.812 1.00 0.00 C +ATOM 1522 CE LYS A 92 4.675 -18.181 1.997 1.00 0.00 C +ATOM 1523 NZ LYS A 92 3.525 -19.112 2.015 1.00 0.00 N +ATOM 1524 H LYS A 92 3.814 -13.273 1.008 1.00 0.00 H +ATOM 1525 HA LYS A 92 5.473 -15.054 -0.477 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 2.480 -14.791 -0.260 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 3.264 -16.023 -1.241 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 3.496 -15.690 1.750 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 2.536 -16.903 0.904 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 4.612 -17.803 -0.100 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 5.541 -16.627 0.826 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 5.590 -18.755 1.964 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 4.661 -17.594 2.903 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 3.476 -19.673 1.141 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 2.625 -18.607 2.125 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 3.619 -19.775 2.811 1.00 0.00 H +ATOM 1537 N ARG A 93 4.212 -12.570 -2.015 1.00 0.00 N +ATOM 1538 CA ARG A 93 4.116 -11.911 -3.296 1.00 0.00 C +ATOM 1539 C ARG A 93 5.443 -11.259 -3.682 1.00 0.00 C +ATOM 1540 O ARG A 93 5.699 -10.974 -4.856 1.00 0.00 O +ATOM 1541 CB ARG A 93 2.961 -10.903 -3.303 1.00 0.00 C +ATOM 1542 CG ARG A 93 2.640 -10.313 -4.665 1.00 0.00 C +ATOM 1543 CD ARG A 93 2.272 -11.403 -5.663 1.00 0.00 C +ATOM 1544 NE ARG A 93 1.914 -10.844 -6.950 1.00 0.00 N +ATOM 1545 CZ ARG A 93 1.670 -11.516 -8.061 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 1.648 -12.839 -8.066 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 1.436 -10.843 -9.171 1.00 0.00 N +ATOM 1548 H ARG A 93 4.024 -12.063 -1.195 1.00 0.00 H +ATOM 1549 HA ARG A 93 3.913 -12.681 -4.018 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 2.074 -11.398 -2.934 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 3.209 -10.094 -2.632 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 1.810 -9.629 -4.571 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 3.506 -9.783 -5.030 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 3.125 -12.052 -5.802 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 1.442 -11.975 -5.278 1.00 0.00 H +ATOM 1556 HE ARG A 93 1.875 -9.853 -6.995 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 1.815 -13.386 -7.244 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 1.466 -13.353 -8.909 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 1.446 -9.838 -9.132 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 1.280 -11.286 -10.058 1.00 0.00 H +ATOM 1561 N ILE A 94 6.285 -11.052 -2.708 1.00 0.00 N +ATOM 1562 CA ILE A 94 7.577 -10.434 -2.937 1.00 0.00 C +ATOM 1563 C ILE A 94 8.540 -11.432 -3.579 1.00 0.00 C +ATOM 1564 O ILE A 94 9.200 -11.124 -4.584 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.152 -9.887 -1.612 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 7.183 -8.849 -1.048 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 9.539 -9.270 -1.826 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 7.479 -8.433 0.360 1.00 0.00 C +ATOM 1569 H ILE A 94 6.026 -11.321 -1.802 1.00 0.00 H +ATOM 1570 HA ILE A 94 7.429 -9.609 -3.617 1.00 0.00 H +ATOM 1571 HB ILE A 94 8.233 -10.701 -0.907 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 7.220 -7.963 -1.665 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 6.183 -9.255 -1.075 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 10.210 -10.026 -2.207 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 9.915 -8.892 -0.887 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 9.465 -8.461 -2.537 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 7.423 -9.315 0.981 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 6.729 -7.722 0.674 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 8.467 -8.004 0.413 1.00 0.00 H +ATOM 1580 N LEU A 95 8.582 -12.625 -3.043 1.00 0.00 N +ATOM 1581 CA LEU A 95 9.472 -13.641 -3.544 1.00 0.00 C +ATOM 1582 C LEU A 95 8.615 -14.678 -4.269 1.00 0.00 C +ATOM 1583 O LEU A 95 8.065 -15.563 -3.614 1.00 0.00 O +ATOM 1584 CB LEU A 95 10.259 -14.268 -2.354 1.00 0.00 C +ATOM 1585 CG LEU A 95 11.598 -15.007 -2.653 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 11.422 -16.236 -3.533 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 12.614 -14.052 -3.266 1.00 0.00 C +ATOM 1588 OXT LEU A 95 8.441 -14.581 -5.498 1.00 0.00 O +ATOM 1589 H LEU A 95 7.986 -12.857 -2.301 1.00 0.00 H +ATOM 1590 HA LEU A 95 10.158 -13.186 -4.241 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 10.477 -13.475 -1.654 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 9.598 -14.967 -1.862 1.00 0.00 H +ATOM 1593 HG LEU A 95 12.006 -15.354 -1.715 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 12.389 -16.675 -3.732 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 10.950 -15.950 -4.461 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 10.804 -16.954 -3.016 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 12.230 -13.667 -4.197 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 13.540 -14.578 -3.445 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 12.796 -13.234 -2.585 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 10 +ATOM 1 N MET A 1 10.111 16.435 -4.382 1.00 0.00 N +ATOM 2 CA MET A 1 10.441 15.028 -4.427 1.00 0.00 C +ATOM 3 C MET A 1 9.175 14.236 -4.309 1.00 0.00 C +ATOM 4 O MET A 1 8.344 14.505 -3.438 1.00 0.00 O +ATOM 5 CB MET A 1 11.359 14.646 -3.274 1.00 0.00 C +ATOM 6 CG MET A 1 11.947 13.242 -3.370 1.00 0.00 C +ATOM 7 SD MET A 1 12.927 12.797 -1.912 1.00 0.00 S +ATOM 8 CE MET A 1 13.585 11.200 -2.413 1.00 0.00 C +ATOM 9 H MET A 1 10.962 17.024 -4.451 1.00 0.00 H +ATOM 10 HA MET A 1 10.929 14.813 -5.365 1.00 0.00 H +ATOM 11 HB2 MET A 1 12.167 15.355 -3.215 1.00 0.00 H +ATOM 12 HB3 MET A 1 10.762 14.694 -2.378 1.00 0.00 H +ATOM 13 HG2 MET A 1 11.141 12.533 -3.478 1.00 0.00 H +ATOM 14 HG3 MET A 1 12.583 13.199 -4.242 1.00 0.00 H +ATOM 15 HE1 MET A 1 14.180 10.789 -1.611 1.00 0.00 H +ATOM 16 HE2 MET A 1 14.208 11.327 -3.286 1.00 0.00 H +ATOM 17 HE3 MET A 1 12.773 10.526 -2.644 1.00 0.00 H +ATOM 18 N ALA A 2 9.026 13.279 -5.158 1.00 0.00 N +ATOM 19 CA ALA A 2 7.877 12.414 -5.148 1.00 0.00 C +ATOM 20 C ALA A 2 8.265 11.075 -5.685 1.00 0.00 C +ATOM 21 O ALA A 2 8.996 10.990 -6.674 1.00 0.00 O +ATOM 22 CB ALA A 2 6.729 12.994 -5.966 1.00 0.00 C +ATOM 23 H ALA A 2 9.735 13.138 -5.825 1.00 0.00 H +ATOM 24 HA ALA A 2 7.551 12.302 -4.124 1.00 0.00 H +ATOM 25 HB1 ALA A 2 6.477 13.975 -5.592 1.00 0.00 H +ATOM 26 HB2 ALA A 2 5.869 12.345 -5.881 1.00 0.00 H +ATOM 27 HB3 ALA A 2 7.019 13.064 -7.004 1.00 0.00 H +ATOM 28 N TYR A 3 7.821 10.050 -5.031 1.00 0.00 N +ATOM 29 CA TYR A 3 8.086 8.701 -5.463 1.00 0.00 C +ATOM 30 C TYR A 3 7.019 8.265 -6.448 1.00 0.00 C +ATOM 31 O TYR A 3 5.963 8.920 -6.578 1.00 0.00 O +ATOM 32 CB TYR A 3 8.111 7.736 -4.263 1.00 0.00 C +ATOM 33 CG TYR A 3 9.300 7.877 -3.320 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.595 9.083 -2.690 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.111 6.783 -3.039 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.657 9.194 -1.819 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.179 6.888 -2.169 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.448 8.096 -1.563 1.00 0.00 C +ATOM 39 OH TYR A 3 12.501 8.203 -0.681 1.00 0.00 O +ATOM 40 H TYR A 3 7.280 10.194 -4.226 1.00 0.00 H +ATOM 41 HA TYR A 3 9.051 8.683 -5.948 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.218 7.882 -3.676 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.109 6.725 -4.644 1.00 0.00 H +ATOM 44 HD1 TYR A 3 8.975 9.943 -2.897 1.00 0.00 H +ATOM 45 HD2 TYR A 3 9.898 5.837 -3.516 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.867 10.140 -1.340 1.00 0.00 H +ATOM 47 HE2 TYR A 3 11.800 6.028 -1.966 1.00 0.00 H +ATOM 48 HH TYR A 3 13.236 7.654 -1.011 1.00 0.00 H +ATOM 49 N PHE A 4 7.286 7.201 -7.149 1.00 0.00 N +ATOM 50 CA PHE A 4 6.317 6.633 -8.048 1.00 0.00 C +ATOM 51 C PHE A 4 5.392 5.744 -7.249 1.00 0.00 C +ATOM 52 O PHE A 4 5.752 5.304 -6.170 1.00 0.00 O +ATOM 53 CB PHE A 4 7.003 5.809 -9.140 1.00 0.00 C +ATOM 54 CG PHE A 4 7.959 6.580 -9.999 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.536 7.690 -10.702 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.277 6.174 -10.122 1.00 0.00 C +ATOM 57 CE1 PHE A 4 8.407 8.385 -11.510 1.00 0.00 C +ATOM 58 CE2 PHE A 4 10.155 6.868 -10.926 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.719 7.975 -11.623 1.00 0.00 C +ATOM 60 H PHE A 4 8.167 6.771 -7.056 1.00 0.00 H +ATOM 61 HA PHE A 4 5.750 7.433 -8.499 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.570 5.020 -8.668 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.255 5.363 -9.777 1.00 0.00 H +ATOM 64 HD1 PHE A 4 6.510 8.015 -10.612 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.619 5.307 -9.576 1.00 0.00 H +ATOM 66 HE1 PHE A 4 8.057 9.250 -12.051 1.00 0.00 H +ATOM 67 HE2 PHE A 4 11.182 6.544 -11.012 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.402 8.520 -12.257 1.00 0.00 H +ATOM 69 N LEU A 5 4.223 5.500 -7.744 1.00 0.00 N +ATOM 70 CA LEU A 5 3.285 4.636 -7.063 1.00 0.00 C +ATOM 71 C LEU A 5 2.867 3.570 -8.059 1.00 0.00 C +ATOM 72 O LEU A 5 2.503 3.897 -9.200 1.00 0.00 O +ATOM 73 CB LEU A 5 2.056 5.467 -6.577 1.00 0.00 C +ATOM 74 CG LEU A 5 1.122 4.865 -5.475 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.438 3.583 -5.894 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.868 4.655 -4.175 1.00 0.00 C +ATOM 77 H LEU A 5 3.964 5.890 -8.607 1.00 0.00 H +ATOM 78 HA LEU A 5 3.780 4.177 -6.221 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.428 6.410 -6.208 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.450 5.677 -7.447 1.00 0.00 H +ATOM 81 HG LEU A 5 0.336 5.581 -5.281 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.223 3.770 -6.728 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.116 3.188 -5.054 1.00 0.00 H +ATOM 84 HD13 LEU A 5 1.190 2.863 -6.184 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.712 4.003 -4.342 1.00 0.00 H +ATOM 86 HD22 LEU A 5 1.203 4.186 -3.465 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.204 5.601 -3.780 1.00 0.00 H +ATOM 88 N ASP A 6 2.956 2.325 -7.681 1.00 0.00 N +ATOM 89 CA ASP A 6 2.536 1.248 -8.557 1.00 0.00 C +ATOM 90 C ASP A 6 1.828 0.186 -7.742 1.00 0.00 C +ATOM 91 O ASP A 6 2.026 0.097 -6.531 1.00 0.00 O +ATOM 92 CB ASP A 6 3.727 0.657 -9.329 1.00 0.00 C +ATOM 93 CG ASP A 6 3.305 -0.300 -10.434 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.173 -0.175 -10.946 1.00 0.00 O +ATOM 95 OD2 ASP A 6 4.101 -1.172 -10.827 1.00 0.00 O +ATOM 96 H ASP A 6 3.305 2.102 -6.786 1.00 0.00 H +ATOM 97 HA ASP A 6 1.827 1.664 -9.258 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.298 1.458 -9.775 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.350 0.119 -8.632 1.00 0.00 H +ATOM 100 N PHE A 7 1.008 -0.593 -8.384 1.00 0.00 N +ATOM 101 CA PHE A 7 0.221 -1.610 -7.717 1.00 0.00 C +ATOM 102 C PHE A 7 0.551 -2.980 -8.269 1.00 0.00 C +ATOM 103 O PHE A 7 0.785 -3.131 -9.480 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.285 -1.380 -7.938 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.863 -0.098 -7.403 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -1.839 1.062 -8.161 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.462 -0.065 -6.156 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.398 2.229 -7.682 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -3.019 1.100 -5.670 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.989 2.248 -6.435 1.00 0.00 C +ATOM 111 H PHE A 7 0.968 -0.500 -9.362 1.00 0.00 H +ATOM 112 HA PHE A 7 0.422 -1.576 -6.657 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.477 -1.388 -9.001 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.825 -2.203 -7.492 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.374 1.050 -9.135 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.487 -0.962 -5.557 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.373 3.127 -8.282 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.480 1.112 -4.693 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.428 3.162 -6.059 1.00 0.00 H +ATOM 120 N ASP A 8 0.579 -3.962 -7.396 1.00 0.00 N +ATOM 121 CA ASP A 8 0.698 -5.367 -7.794 1.00 0.00 C +ATOM 122 C ASP A 8 -0.587 -5.773 -8.519 1.00 0.00 C +ATOM 123 O ASP A 8 -1.627 -5.144 -8.304 1.00 0.00 O +ATOM 124 CB ASP A 8 0.896 -6.255 -6.553 1.00 0.00 C +ATOM 125 CG ASP A 8 1.025 -7.719 -6.896 1.00 0.00 C +ATOM 126 OD1 ASP A 8 0.006 -8.405 -6.972 1.00 0.00 O +ATOM 127 OD2 ASP A 8 2.149 -8.195 -7.101 1.00 0.00 O +ATOM 128 H ASP A 8 0.538 -3.746 -6.436 1.00 0.00 H +ATOM 129 HA ASP A 8 1.541 -5.468 -8.461 1.00 0.00 H +ATOM 130 HB2 ASP A 8 1.793 -5.948 -6.036 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.050 -6.131 -5.894 1.00 0.00 H +ATOM 132 N GLU A 9 -0.533 -6.778 -9.384 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.721 -7.204 -10.109 1.00 0.00 C +ATOM 134 C GLU A 9 -2.863 -7.657 -9.181 1.00 0.00 C +ATOM 135 O GLU A 9 -4.026 -7.468 -9.509 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.395 -8.209 -11.244 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.693 -9.514 -10.849 1.00 0.00 C +ATOM 138 CD GLU A 9 -1.597 -10.560 -10.221 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -2.779 -10.657 -10.602 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -1.118 -11.343 -9.387 1.00 0.00 O +ATOM 141 H GLU A 9 0.316 -7.249 -9.523 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.085 -6.293 -10.563 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.324 -8.485 -11.719 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.781 -7.702 -11.975 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -0.212 -9.948 -11.713 1.00 0.00 H +ATOM 146 HG3 GLU A 9 0.059 -9.249 -10.123 1.00 0.00 H +ATOM 147 N ARG A 10 -2.524 -8.189 -8.001 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.541 -8.566 -7.015 1.00 0.00 C +ATOM 149 C ARG A 10 -4.122 -7.306 -6.438 1.00 0.00 C +ATOM 150 O ARG A 10 -5.337 -7.159 -6.316 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.935 -9.382 -5.871 1.00 0.00 C +ATOM 152 CG ARG A 10 -2.233 -10.634 -6.311 1.00 0.00 C +ATOM 153 CD ARG A 10 -3.179 -11.668 -6.862 1.00 0.00 C +ATOM 154 NE ARG A 10 -2.420 -12.740 -7.489 1.00 0.00 N +ATOM 155 CZ ARG A 10 -2.357 -14.009 -7.081 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -3.002 -14.396 -5.984 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -1.627 -14.884 -7.764 1.00 0.00 N +ATOM 158 H ARG A 10 -1.570 -8.323 -7.779 1.00 0.00 H +ATOM 159 HA ARG A 10 -4.315 -9.136 -7.504 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -2.220 -8.764 -5.346 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.724 -9.656 -5.187 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -1.533 -10.370 -7.090 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -1.697 -11.051 -5.471 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -3.782 -12.065 -6.060 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -3.815 -11.211 -7.605 1.00 0.00 H +ATOM 166 HE ARG A 10 -1.926 -12.411 -8.285 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -3.550 -13.760 -5.433 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -2.979 -15.338 -5.644 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -1.116 -14.617 -8.588 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -1.535 -15.846 -7.502 1.00 0.00 H +ATOM 171 N ALA A 11 -3.231 -6.367 -6.149 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.591 -5.101 -5.554 1.00 0.00 C +ATOM 173 C ALA A 11 -4.512 -4.312 -6.467 1.00 0.00 C +ATOM 174 O ALA A 11 -5.421 -3.674 -5.994 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.351 -4.293 -5.198 1.00 0.00 C +ATOM 176 H ALA A 11 -2.293 -6.546 -6.372 1.00 0.00 H +ATOM 177 HA ALA A 11 -4.127 -5.318 -4.642 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -2.645 -3.380 -4.702 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.806 -4.058 -6.099 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -1.720 -4.874 -4.540 1.00 0.00 H +ATOM 181 N LEU A 12 -4.291 -4.401 -7.780 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.139 -3.726 -8.754 1.00 0.00 C +ATOM 183 C LEU A 12 -6.550 -4.258 -8.695 1.00 0.00 C +ATOM 184 O LEU A 12 -7.520 -3.494 -8.703 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.596 -3.904 -10.170 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.385 -3.065 -10.557 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -2.891 -3.482 -11.934 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -3.758 -1.581 -10.566 1.00 0.00 C +ATOM 189 H LEU A 12 -3.535 -4.939 -8.107 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.152 -2.675 -8.516 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.330 -4.944 -10.289 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.396 -3.683 -10.855 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.590 -3.215 -9.842 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -2.037 -2.885 -12.212 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -3.679 -3.338 -12.659 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -2.610 -4.524 -11.917 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -2.897 -0.992 -10.847 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -4.104 -1.272 -9.591 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.548 -1.414 -11.283 1.00 0.00 H +ATOM 200 N LYS A 13 -6.651 -5.559 -8.598 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.927 -6.229 -8.559 1.00 0.00 C +ATOM 202 C LYS A 13 -8.666 -5.868 -7.297 1.00 0.00 C +ATOM 203 O LYS A 13 -9.834 -5.521 -7.350 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.705 -7.725 -8.631 1.00 0.00 C +ATOM 205 CG LYS A 13 -7.031 -8.153 -9.909 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.507 -9.555 -9.809 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.844 -9.972 -11.096 1.00 0.00 C +ATOM 208 NZ LYS A 13 -5.312 -11.341 -11.022 1.00 0.00 N +ATOM 209 H LYS A 13 -5.831 -6.095 -8.544 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.504 -5.923 -9.418 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -7.082 -8.022 -7.800 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.657 -8.228 -8.561 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.745 -8.105 -10.718 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -6.209 -7.483 -10.114 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.773 -9.572 -9.016 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -7.322 -10.226 -9.584 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -6.552 -9.909 -11.907 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -5.017 -9.299 -11.279 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -4.408 -11.319 -10.501 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -5.135 -11.718 -11.977 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -5.974 -11.974 -10.533 1.00 0.00 H +ATOM 222 N GLU A 14 -7.953 -5.876 -6.176 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.536 -5.547 -4.894 1.00 0.00 C +ATOM 224 C GLU A 14 -8.913 -4.061 -4.834 1.00 0.00 C +ATOM 225 O GLU A 14 -9.929 -3.701 -4.293 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.568 -5.892 -3.772 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.119 -7.347 -3.758 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.247 -8.339 -3.601 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -8.840 -8.438 -2.498 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -8.553 -9.055 -4.560 1.00 0.00 O +ATOM 231 H GLU A 14 -7.006 -6.142 -6.201 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.425 -6.147 -4.784 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.689 -5.272 -3.880 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.039 -5.669 -2.827 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -6.635 -7.547 -4.703 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.397 -7.489 -2.970 1.00 0.00 H +ATOM 237 N TRP A 15 -8.087 -3.233 -5.426 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.280 -1.784 -5.483 1.00 0.00 C +ATOM 239 C TRP A 15 -9.563 -1.428 -6.252 1.00 0.00 C +ATOM 240 O TRP A 15 -10.360 -0.580 -5.827 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.043 -1.174 -6.161 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.046 0.295 -6.345 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.214 0.965 -7.516 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.849 1.282 -5.338 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.139 2.311 -7.297 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -6.917 2.533 -5.967 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.623 1.226 -3.962 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.768 3.719 -5.271 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.474 2.404 -3.272 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.547 3.635 -3.926 1.00 0.00 C +ATOM 251 H TRP A 15 -7.274 -3.603 -5.836 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.350 -1.402 -4.474 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.173 -1.413 -5.569 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -6.928 -1.636 -7.130 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -7.374 0.481 -8.469 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.234 2.999 -7.992 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.566 0.281 -3.444 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.824 4.676 -5.768 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -6.297 2.383 -2.207 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.422 4.535 -3.342 1.00 0.00 H +ATOM 261 N ARG A 16 -9.756 -2.073 -7.375 1.00 0.00 N +ATOM 262 CA ARG A 16 -10.938 -1.850 -8.183 1.00 0.00 C +ATOM 263 C ARG A 16 -12.163 -2.525 -7.556 1.00 0.00 C +ATOM 264 O ARG A 16 -13.299 -2.124 -7.795 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.691 -2.310 -9.609 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.551 -1.549 -10.274 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.269 -2.065 -11.662 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.079 -1.440 -12.259 1.00 0.00 N +ATOM 269 CZ ARG A 16 -7.345 -1.997 -13.242 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -7.727 -3.154 -13.788 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -6.249 -1.390 -13.682 1.00 0.00 N +ATOM 272 H ARG A 16 -9.070 -2.711 -7.672 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.117 -0.784 -8.185 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.445 -3.361 -9.595 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.589 -2.162 -10.188 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -9.818 -0.505 -10.337 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.664 -1.656 -9.667 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.108 -3.131 -11.604 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -10.124 -1.858 -12.289 1.00 0.00 H +ATOM 280 HE ARG A 16 -7.828 -0.571 -11.871 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.557 -3.638 -13.501 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -7.203 -3.616 -14.510 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -5.941 -0.514 -13.300 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -5.678 -1.781 -14.409 1.00 0.00 H +ATOM 285 N LYS A 17 -11.895 -3.516 -6.741 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.886 -4.281 -5.979 1.00 0.00 C +ATOM 287 C LYS A 17 -13.369 -3.484 -4.765 1.00 0.00 C +ATOM 288 O LYS A 17 -14.518 -3.625 -4.322 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.194 -5.566 -5.533 1.00 0.00 C +ATOM 290 CG LYS A 17 -12.838 -6.375 -4.444 1.00 0.00 C +ATOM 291 CD LYS A 17 -11.912 -7.514 -4.075 1.00 0.00 C +ATOM 292 CE LYS A 17 -12.392 -8.279 -2.879 1.00 0.00 C +ATOM 293 NZ LYS A 17 -11.462 -9.375 -2.536 1.00 0.00 N +ATOM 294 H LYS A 17 -10.955 -3.779 -6.640 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.716 -4.537 -6.619 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -12.090 -6.210 -6.393 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.202 -5.288 -5.207 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -13.001 -5.746 -3.582 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -13.773 -6.777 -4.800 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -11.845 -8.193 -4.912 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -10.934 -7.113 -3.862 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -12.472 -7.604 -2.039 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -13.364 -8.692 -3.101 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -11.794 -9.864 -1.681 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -10.485 -9.022 -2.417 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -11.443 -10.069 -3.312 1.00 0.00 H +ATOM 307 N LEU A 18 -12.480 -2.678 -4.235 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.741 -1.824 -3.093 1.00 0.00 C +ATOM 309 C LEU A 18 -13.850 -0.834 -3.374 1.00 0.00 C +ATOM 310 O LEU A 18 -14.077 -0.443 -4.525 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.472 -1.068 -2.715 1.00 0.00 C +ATOM 312 CG LEU A 18 -10.832 -1.408 -1.369 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.473 -2.882 -1.266 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.606 -0.554 -1.167 1.00 0.00 C +ATOM 315 H LEU A 18 -11.576 -2.674 -4.617 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.021 -2.449 -2.258 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.737 -1.249 -3.488 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.710 -0.014 -2.719 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.528 -1.171 -0.581 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -9.778 -3.141 -2.052 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -11.366 -3.480 -1.363 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.016 -3.071 -0.306 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.168 -0.779 -0.206 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -9.892 0.487 -1.200 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -8.889 -0.758 -1.948 1.00 0.00 H +ATOM 326 N GLY A 19 -14.528 -0.440 -2.329 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.591 0.511 -2.430 1.00 0.00 C +ATOM 328 C GLY A 19 -15.050 1.867 -2.765 1.00 0.00 C +ATOM 329 O GLY A 19 -13.939 2.213 -2.330 1.00 0.00 O +ATOM 330 H GLY A 19 -14.286 -0.812 -1.455 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.276 0.194 -3.203 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.112 0.564 -1.485 1.00 0.00 H +ATOM 333 N SER A 20 -15.821 2.630 -3.511 1.00 0.00 N +ATOM 334 CA SER A 20 -15.438 3.938 -4.013 1.00 0.00 C +ATOM 335 C SER A 20 -14.861 4.844 -2.912 1.00 0.00 C +ATOM 336 O SER A 20 -13.724 5.282 -3.004 1.00 0.00 O +ATOM 337 CB SER A 20 -16.661 4.577 -4.652 1.00 0.00 C +ATOM 338 OG SER A 20 -17.254 3.675 -5.585 1.00 0.00 O +ATOM 339 H SER A 20 -16.714 2.306 -3.757 1.00 0.00 H +ATOM 340 HA SER A 20 -14.693 3.799 -4.780 1.00 0.00 H +ATOM 341 HB2 SER A 20 -17.380 4.813 -3.881 1.00 0.00 H +ATOM 342 HB3 SER A 20 -16.376 5.481 -5.168 1.00 0.00 H +ATOM 343 HG SER A 20 -18.177 3.950 -5.664 1.00 0.00 H +ATOM 344 N THR A 21 -15.608 5.019 -1.853 1.00 0.00 N +ATOM 345 CA THR A 21 -15.234 5.901 -0.756 1.00 0.00 C +ATOM 346 C THR A 21 -13.951 5.411 -0.057 1.00 0.00 C +ATOM 347 O THR A 21 -13.097 6.213 0.356 1.00 0.00 O +ATOM 348 CB THR A 21 -16.399 5.972 0.248 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.602 6.286 -0.476 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.161 7.044 1.310 1.00 0.00 C +ATOM 351 H THR A 21 -16.457 4.533 -1.798 1.00 0.00 H +ATOM 352 HA THR A 21 -15.066 6.889 -1.158 1.00 0.00 H +ATOM 353 HB THR A 21 -16.504 5.007 0.722 1.00 0.00 H +ATOM 354 HG1 THR A 21 -18.332 5.811 -0.062 1.00 0.00 H +ATOM 355 HG21 THR A 21 -15.250 6.827 1.845 1.00 0.00 H +ATOM 356 HG22 THR A 21 -16.991 7.055 2.001 1.00 0.00 H +ATOM 357 HG23 THR A 21 -16.079 8.011 0.835 1.00 0.00 H +ATOM 358 N VAL A 22 -13.797 4.104 0.009 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.655 3.509 0.661 1.00 0.00 C +ATOM 360 C VAL A 22 -11.404 3.770 -0.164 1.00 0.00 C +ATOM 361 O VAL A 22 -10.400 4.267 0.348 1.00 0.00 O +ATOM 362 CB VAL A 22 -12.859 1.974 0.808 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -11.657 1.310 1.445 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.116 1.667 1.604 1.00 0.00 C +ATOM 365 H VAL A 22 -14.463 3.523 -0.416 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.534 3.943 1.642 1.00 0.00 H +ATOM 367 HB VAL A 22 -12.982 1.566 -0.184 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -10.772 1.525 0.863 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -11.818 0.243 1.474 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -11.531 1.674 2.452 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.036 2.102 2.588 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -14.233 0.597 1.692 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.973 2.084 1.094 1.00 0.00 H +ATOM 374 N ARG A 23 -11.500 3.499 -1.444 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.384 3.698 -2.335 1.00 0.00 C +ATOM 376 C ARG A 23 -10.043 5.166 -2.557 1.00 0.00 C +ATOM 377 O ARG A 23 -8.879 5.497 -2.711 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.529 2.953 -3.640 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.795 3.241 -4.385 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.667 2.783 -5.794 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.934 2.882 -6.520 1.00 0.00 N +ATOM 382 CZ ARG A 23 -13.549 1.843 -7.111 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.984 0.632 -7.096 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -14.723 2.019 -7.710 1.00 0.00 N +ATOM 385 H ARG A 23 -12.354 3.155 -1.792 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.536 3.281 -1.810 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.695 3.188 -4.283 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.514 1.896 -3.416 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.577 2.664 -3.909 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -12.061 4.288 -4.330 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.917 3.422 -6.243 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -11.313 1.763 -5.800 1.00 0.00 H +ATOM 393 HE ARG A 23 -13.334 3.783 -6.542 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -12.097 0.460 -6.656 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -13.421 -0.173 -7.511 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -15.169 2.916 -7.740 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -15.222 1.262 -8.147 1.00 0.00 H +ATOM 398 N GLU A 24 -11.056 6.037 -2.596 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.826 7.472 -2.767 1.00 0.00 C +ATOM 400 C GLU A 24 -9.924 7.996 -1.684 1.00 0.00 C +ATOM 401 O GLU A 24 -8.915 8.640 -1.970 1.00 0.00 O +ATOM 402 CB GLU A 24 -12.129 8.262 -2.772 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.964 8.069 -4.013 1.00 0.00 C +ATOM 404 CD GLU A 24 -14.255 8.825 -3.948 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -14.234 10.071 -4.026 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -15.325 8.192 -3.855 1.00 0.00 O +ATOM 407 H GLU A 24 -11.982 5.714 -2.524 1.00 0.00 H +ATOM 408 HA GLU A 24 -10.330 7.611 -3.715 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.719 7.961 -1.919 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.894 9.312 -2.681 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -12.407 8.420 -4.869 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -13.181 7.017 -4.128 1.00 0.00 H +ATOM 413 N GLN A 25 -10.247 7.671 -0.451 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.463 8.128 0.668 1.00 0.00 C +ATOM 415 C GLN A 25 -8.081 7.475 0.693 1.00 0.00 C +ATOM 416 O GLN A 25 -7.094 8.113 1.065 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.221 7.943 1.977 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.132 9.106 2.382 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.032 9.620 1.273 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -11.672 10.537 0.538 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.180 9.037 1.135 1.00 0.00 N +ATOM 422 H GLN A 25 -11.027 7.092 -0.279 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.307 9.185 0.512 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.836 7.060 1.894 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.495 7.800 2.763 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.765 8.774 3.192 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -10.510 9.914 2.736 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.405 8.302 1.742 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -13.777 9.351 0.421 1.00 0.00 H +ATOM 430 N LEU A 26 -8.010 6.221 0.278 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.732 5.520 0.203 1.00 0.00 C +ATOM 432 C LEU A 26 -5.829 6.118 -0.862 1.00 0.00 C +ATOM 433 O LEU A 26 -4.639 6.295 -0.630 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.917 4.037 -0.048 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.511 3.218 1.111 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.707 1.784 0.691 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.599 3.276 2.336 1.00 0.00 C +ATOM 438 H LEU A 26 -8.833 5.750 0.022 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.244 5.652 1.157 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.555 3.967 -0.918 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.954 3.622 -0.307 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.476 3.619 1.385 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.127 1.222 1.512 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -6.755 1.359 0.410 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.381 1.747 -0.151 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -5.624 2.892 2.075 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -7.019 2.665 3.121 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -6.507 4.293 2.687 1.00 0.00 H +ATOM 449 N LYS A 27 -6.394 6.436 -2.025 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.633 7.066 -3.099 1.00 0.00 C +ATOM 451 C LYS A 27 -5.044 8.393 -2.620 1.00 0.00 C +ATOM 452 O LYS A 27 -3.892 8.723 -2.910 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.510 7.326 -4.315 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.727 7.931 -5.473 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.606 8.420 -6.611 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.375 9.667 -6.217 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.146 10.212 -7.344 1.00 0.00 N +ATOM 458 H LYS A 27 -7.341 6.207 -2.183 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.827 6.402 -3.375 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.938 6.384 -4.625 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.308 7.984 -4.014 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.186 8.776 -5.072 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -5.026 7.195 -5.839 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -5.987 8.655 -7.464 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.306 7.641 -6.877 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -8.049 9.430 -5.408 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.662 10.406 -5.885 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -8.704 11.036 -7.046 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -8.806 9.513 -7.739 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -7.517 10.521 -8.111 1.00 0.00 H +ATOM 471 N LYS A 28 -5.849 9.142 -1.886 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.422 10.407 -1.300 1.00 0.00 C +ATOM 473 C LYS A 28 -4.238 10.190 -0.374 1.00 0.00 C +ATOM 474 O LYS A 28 -3.271 10.951 -0.391 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.566 11.061 -0.546 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.731 11.412 -1.432 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.852 12.031 -0.645 1.00 0.00 C +ATOM 478 CE LYS A 28 -10.009 12.392 -1.546 1.00 0.00 C +ATOM 479 NZ LYS A 28 -11.152 12.901 -0.776 1.00 0.00 N +ATOM 480 H LYS A 28 -6.769 8.822 -1.762 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.125 11.052 -2.112 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.911 10.379 0.216 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.210 11.967 -0.080 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.406 12.098 -2.198 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -8.088 10.505 -1.899 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.193 11.329 0.101 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.489 12.925 -0.162 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -9.683 13.154 -2.238 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.313 11.513 -2.095 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -11.945 13.137 -1.404 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -10.910 13.760 -0.242 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -11.477 12.163 -0.114 1.00 0.00 H +ATOM 493 N LYS A 29 -4.303 9.119 0.397 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.224 8.740 1.279 1.00 0.00 C +ATOM 495 C LYS A 29 -1.973 8.378 0.523 1.00 0.00 C +ATOM 496 O LYS A 29 -0.867 8.647 0.985 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.631 7.623 2.228 1.00 0.00 C +ATOM 498 CG LYS A 29 -3.998 8.121 3.610 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.132 9.115 3.584 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.328 9.729 4.944 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.133 10.496 5.379 1.00 0.00 N +ATOM 502 H LYS A 29 -5.116 8.570 0.363 1.00 0.00 H +ATOM 503 HA LYS A 29 -2.997 9.611 1.872 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.482 7.105 1.812 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.808 6.929 2.319 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.304 7.280 4.215 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.132 8.589 4.056 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -4.905 9.897 2.874 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.040 8.608 3.291 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.193 10.373 4.928 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.482 8.907 5.628 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -3.342 9.861 5.607 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -4.336 11.063 6.225 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -3.808 11.144 4.626 1.00 0.00 H +ATOM 515 N LEU A 30 -2.146 7.781 -0.625 1.00 0.00 N +ATOM 516 CA LEU A 30 -1.036 7.424 -1.473 1.00 0.00 C +ATOM 517 C LEU A 30 -0.376 8.665 -2.049 1.00 0.00 C +ATOM 518 O LEU A 30 0.837 8.812 -1.981 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.484 6.495 -2.597 1.00 0.00 C +ATOM 520 CG LEU A 30 -2.079 5.161 -2.160 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.502 4.348 -3.367 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.087 4.389 -1.301 1.00 0.00 C +ATOM 523 H LEU A 30 -3.061 7.557 -0.906 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.315 6.903 -0.863 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.225 7.017 -3.185 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.631 6.293 -3.227 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.963 5.351 -1.568 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -2.913 3.403 -3.045 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -1.645 4.170 -3.999 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -3.252 4.892 -3.924 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -1.496 3.421 -1.056 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -0.915 4.936 -0.385 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.155 4.267 -1.830 1.00 0.00 H +ATOM 534 N VAL A 31 -1.176 9.582 -2.572 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.628 10.775 -3.188 1.00 0.00 C +ATOM 536 C VAL A 31 0.072 11.685 -2.157 1.00 0.00 C +ATOM 537 O VAL A 31 1.135 12.240 -2.448 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.665 11.561 -4.069 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -2.795 12.161 -3.259 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -0.980 12.623 -4.909 1.00 0.00 C +ATOM 541 H VAL A 31 -2.148 9.429 -2.553 1.00 0.00 H +ATOM 542 HA VAL A 31 0.158 10.409 -3.834 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.110 10.846 -4.745 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -2.394 12.882 -2.563 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -3.274 11.369 -2.705 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -3.507 12.638 -3.917 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -0.484 13.329 -4.258 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -1.721 13.137 -5.504 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -0.254 12.156 -5.558 1.00 0.00 H +ATOM 550 N GLU A 32 -0.492 11.805 -0.950 1.00 0.00 N +ATOM 551 CA GLU A 32 0.141 12.601 0.100 1.00 0.00 C +ATOM 552 C GLU A 32 1.443 11.930 0.577 1.00 0.00 C +ATOM 553 O GLU A 32 2.489 12.587 0.709 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.819 12.850 1.303 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.328 11.577 1.948 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.167 11.758 3.193 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -3.370 12.073 3.096 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -1.662 11.483 4.301 1.00 0.00 O +ATOM 559 H GLU A 32 -1.357 11.367 -0.779 1.00 0.00 H +ATOM 560 HA GLU A 32 0.402 13.550 -0.345 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.301 13.423 2.056 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.671 13.417 0.953 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -1.929 11.073 1.206 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.479 10.953 2.183 1.00 0.00 H +ATOM 565 N VAL A 33 1.393 10.616 0.757 1.00 0.00 N +ATOM 566 CA VAL A 33 2.504 9.868 1.310 1.00 0.00 C +ATOM 567 C VAL A 33 3.730 9.912 0.397 1.00 0.00 C +ATOM 568 O VAL A 33 4.837 9.904 0.868 1.00 0.00 O +ATOM 569 CB VAL A 33 2.135 8.406 1.724 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.123 7.430 0.553 1.00 0.00 C +ATOM 571 CG2 VAL A 33 3.022 7.926 2.848 1.00 0.00 C +ATOM 572 H VAL A 33 0.575 10.129 0.510 1.00 0.00 H +ATOM 573 HA VAL A 33 2.784 10.412 2.201 1.00 0.00 H +ATOM 574 HB VAL A 33 1.122 8.440 2.100 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.822 6.452 0.898 1.00 0.00 H +ATOM 576 HG12 VAL A 33 3.114 7.374 0.125 1.00 0.00 H +ATOM 577 HG13 VAL A 33 1.433 7.782 -0.199 1.00 0.00 H +ATOM 578 HG21 VAL A 33 4.041 7.968 2.500 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.763 6.910 3.108 1.00 0.00 H +ATOM 580 HG23 VAL A 33 2.907 8.563 3.711 1.00 0.00 H +ATOM 581 N LEU A 34 3.497 10.013 -0.909 1.00 0.00 N +ATOM 582 CA LEU A 34 4.552 10.025 -1.931 1.00 0.00 C +ATOM 583 C LEU A 34 5.630 11.084 -1.704 1.00 0.00 C +ATOM 584 O LEU A 34 6.749 10.929 -2.206 1.00 0.00 O +ATOM 585 CB LEU A 34 3.972 10.196 -3.337 1.00 0.00 C +ATOM 586 CG LEU A 34 3.159 9.028 -3.889 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.592 9.377 -5.253 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.021 7.776 -3.979 1.00 0.00 C +ATOM 589 H LEU A 34 2.563 10.060 -1.203 1.00 0.00 H +ATOM 590 HA LEU A 34 5.035 9.060 -1.892 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.333 11.066 -3.325 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.790 10.386 -4.016 1.00 0.00 H +ATOM 593 HG LEU A 34 2.334 8.824 -3.221 1.00 0.00 H +ATOM 594 HD11 LEU A 34 3.405 9.579 -5.933 1.00 0.00 H +ATOM 595 HD12 LEU A 34 1.967 10.254 -5.170 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.005 8.550 -5.626 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.318 7.460 -2.990 1.00 0.00 H +ATOM 598 HD22 LEU A 34 4.903 7.999 -4.562 1.00 0.00 H +ATOM 599 HD23 LEU A 34 3.469 6.987 -4.465 1.00 0.00 H +ATOM 600 N GLU A 35 5.311 12.174 -1.003 1.00 0.00 N +ATOM 601 CA GLU A 35 6.332 13.195 -0.766 1.00 0.00 C +ATOM 602 C GLU A 35 7.334 12.736 0.307 1.00 0.00 C +ATOM 603 O GLU A 35 8.490 13.154 0.308 1.00 0.00 O +ATOM 604 CB GLU A 35 5.725 14.559 -0.411 1.00 0.00 C +ATOM 605 CG GLU A 35 4.961 14.603 0.895 1.00 0.00 C +ATOM 606 CD GLU A 35 4.398 15.965 1.177 1.00 0.00 C +ATOM 607 OE1 GLU A 35 5.163 16.879 1.538 1.00 0.00 O +ATOM 608 OE2 GLU A 35 3.175 16.154 1.074 1.00 0.00 O +ATOM 609 H GLU A 35 4.405 12.281 -0.633 1.00 0.00 H +ATOM 610 HA GLU A 35 6.881 13.284 -1.692 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.522 15.285 -0.347 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.054 14.858 -1.203 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.146 13.897 0.843 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.628 14.327 1.698 1.00 0.00 H +ATOM 615 N SER A 36 6.895 11.845 1.182 1.00 0.00 N +ATOM 616 CA SER A 36 7.724 11.319 2.245 1.00 0.00 C +ATOM 617 C SER A 36 7.167 9.964 2.732 1.00 0.00 C +ATOM 618 O SER A 36 6.510 9.896 3.759 1.00 0.00 O +ATOM 619 CB SER A 36 7.821 12.340 3.404 1.00 0.00 C +ATOM 620 OG SER A 36 6.521 12.703 3.884 1.00 0.00 O +ATOM 621 H SER A 36 5.977 11.500 1.104 1.00 0.00 H +ATOM 622 HA SER A 36 8.711 11.147 1.844 1.00 0.00 H +ATOM 623 HB2 SER A 36 8.381 11.903 4.220 1.00 0.00 H +ATOM 624 HB3 SER A 36 8.325 13.229 3.057 1.00 0.00 H +ATOM 625 HG SER A 36 6.050 11.868 4.000 1.00 0.00 H +ATOM 626 N PRO A 37 7.346 8.880 1.949 1.00 0.00 N +ATOM 627 CA PRO A 37 6.808 7.562 2.308 1.00 0.00 C +ATOM 628 C PRO A 37 7.710 6.763 3.235 1.00 0.00 C +ATOM 629 O PRO A 37 7.358 5.692 3.663 1.00 0.00 O +ATOM 630 CB PRO A 37 6.675 6.873 0.956 1.00 0.00 C +ATOM 631 CG PRO A 37 7.795 7.435 0.151 1.00 0.00 C +ATOM 632 CD PRO A 37 7.976 8.862 0.612 1.00 0.00 C +ATOM 633 HA PRO A 37 5.839 7.634 2.772 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.765 5.805 1.081 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.718 7.113 0.516 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.694 6.866 0.330 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.544 7.413 -0.899 1.00 0.00 H +ATOM 638 HD2 PRO A 37 9.021 9.123 0.671 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.446 9.528 -0.057 1.00 0.00 H +ATOM 640 N ARG A 38 8.841 7.316 3.573 1.00 0.00 N +ATOM 641 CA ARG A 38 9.820 6.634 4.417 1.00 0.00 C +ATOM 642 C ARG A 38 9.583 6.864 5.926 1.00 0.00 C +ATOM 643 O ARG A 38 10.516 6.816 6.727 1.00 0.00 O +ATOM 644 CB ARG A 38 11.256 7.007 3.978 1.00 0.00 C +ATOM 645 CG ARG A 38 11.510 8.494 3.650 1.00 0.00 C +ATOM 646 CD ARG A 38 11.285 9.441 4.829 1.00 0.00 C +ATOM 647 NE ARG A 38 12.084 9.080 5.994 1.00 0.00 N +ATOM 648 CZ ARG A 38 12.554 9.935 6.901 1.00 0.00 C +ATOM 649 NH1 ARG A 38 12.455 11.250 6.716 1.00 0.00 N +ATOM 650 NH2 ARG A 38 13.156 9.472 7.979 1.00 0.00 N +ATOM 651 H ARG A 38 9.017 8.219 3.239 1.00 0.00 H +ATOM 652 HA ARG A 38 9.681 5.578 4.237 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.933 6.730 4.771 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.507 6.422 3.104 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.530 8.597 3.318 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.855 8.778 2.840 1.00 0.00 H +ATOM 657 HD2 ARG A 38 11.542 10.445 4.530 1.00 0.00 H +ATOM 658 HD3 ARG A 38 10.240 9.408 5.098 1.00 0.00 H +ATOM 659 HE ARG A 38 12.230 8.114 6.125 1.00 0.00 H +ATOM 660 HH11 ARG A 38 12.033 11.675 5.914 1.00 0.00 H +ATOM 661 HH12 ARG A 38 12.829 11.895 7.388 1.00 0.00 H +ATOM 662 HH21 ARG A 38 13.276 8.492 8.145 1.00 0.00 H +ATOM 663 HH22 ARG A 38 13.523 10.092 8.680 1.00 0.00 H +ATOM 664 N ILE A 39 8.341 7.000 6.303 1.00 0.00 N +ATOM 665 CA ILE A 39 7.973 7.295 7.681 1.00 0.00 C +ATOM 666 C ILE A 39 7.954 6.001 8.505 1.00 0.00 C +ATOM 667 O ILE A 39 7.095 5.136 8.305 1.00 0.00 O +ATOM 668 CB ILE A 39 6.588 8.005 7.732 1.00 0.00 C +ATOM 669 CG1 ILE A 39 6.671 9.341 6.973 1.00 0.00 C +ATOM 670 CG2 ILE A 39 6.124 8.223 9.173 1.00 0.00 C +ATOM 671 CD1 ILE A 39 5.362 10.096 6.865 1.00 0.00 C +ATOM 672 H ILE A 39 7.641 6.855 5.632 1.00 0.00 H +ATOM 673 HA ILE A 39 8.724 7.956 8.089 1.00 0.00 H +ATOM 674 HB ILE A 39 5.866 7.374 7.236 1.00 0.00 H +ATOM 675 HG12 ILE A 39 7.373 9.985 7.481 1.00 0.00 H +ATOM 676 HG13 ILE A 39 7.033 9.152 5.973 1.00 0.00 H +ATOM 677 HG21 ILE A 39 5.148 8.685 9.173 1.00 0.00 H +ATOM 678 HG22 ILE A 39 6.824 8.872 9.676 1.00 0.00 H +ATOM 679 HG23 ILE A 39 6.078 7.275 9.688 1.00 0.00 H +ATOM 680 HD11 ILE A 39 5.003 10.351 7.851 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.634 9.477 6.360 1.00 0.00 H +ATOM 682 HD13 ILE A 39 5.526 10.996 6.292 1.00 0.00 H +ATOM 683 N GLU A 40 8.899 5.898 9.443 1.00 0.00 N +ATOM 684 CA GLU A 40 9.113 4.685 10.249 1.00 0.00 C +ATOM 685 C GLU A 40 7.880 4.250 11.035 1.00 0.00 C +ATOM 686 O GLU A 40 7.674 3.063 11.264 1.00 0.00 O +ATOM 687 CB GLU A 40 10.294 4.845 11.199 1.00 0.00 C +ATOM 688 CG GLU A 40 10.165 6.018 12.147 1.00 0.00 C +ATOM 689 CD GLU A 40 11.238 6.055 13.191 1.00 0.00 C +ATOM 690 OE1 GLU A 40 11.199 5.234 14.133 1.00 0.00 O +ATOM 691 OE2 GLU A 40 12.134 6.908 13.098 1.00 0.00 O +ATOM 692 H GLU A 40 9.477 6.675 9.602 1.00 0.00 H +ATOM 693 HA GLU A 40 9.361 3.905 9.547 1.00 0.00 H +ATOM 694 HB2 GLU A 40 10.367 3.943 11.790 1.00 0.00 H +ATOM 695 HB3 GLU A 40 11.195 4.948 10.615 1.00 0.00 H +ATOM 696 HG2 GLU A 40 10.241 6.924 11.564 1.00 0.00 H +ATOM 697 HG3 GLU A 40 9.198 5.981 12.625 1.00 0.00 H +ATOM 698 N ALA A 41 7.044 5.207 11.396 1.00 0.00 N +ATOM 699 CA ALA A 41 5.855 4.937 12.189 1.00 0.00 C +ATOM 700 C ALA A 41 4.827 4.123 11.407 1.00 0.00 C +ATOM 701 O ALA A 41 3.914 3.541 11.982 1.00 0.00 O +ATOM 702 CB ALA A 41 5.245 6.238 12.679 1.00 0.00 C +ATOM 703 H ALA A 41 7.246 6.125 11.116 1.00 0.00 H +ATOM 704 HA ALA A 41 6.164 4.364 13.050 1.00 0.00 H +ATOM 705 HB1 ALA A 41 5.986 6.800 13.228 1.00 0.00 H +ATOM 706 HB2 ALA A 41 4.405 6.022 13.325 1.00 0.00 H +ATOM 707 HB3 ALA A 41 4.908 6.818 11.834 1.00 0.00 H +ATOM 708 N ASN A 42 4.987 4.067 10.101 1.00 0.00 N +ATOM 709 CA ASN A 42 4.047 3.343 9.265 1.00 0.00 C +ATOM 710 C ASN A 42 4.595 2.002 8.839 1.00 0.00 C +ATOM 711 O ASN A 42 3.896 1.235 8.179 1.00 0.00 O +ATOM 712 CB ASN A 42 3.648 4.157 8.018 1.00 0.00 C +ATOM 713 CG ASN A 42 2.786 5.368 8.317 1.00 0.00 C +ATOM 714 OD1 ASN A 42 2.021 5.388 9.282 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.882 6.379 7.486 1.00 0.00 N +ATOM 716 H ASN A 42 5.764 4.506 9.688 1.00 0.00 H +ATOM 717 HA ASN A 42 3.159 3.171 9.854 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.545 4.513 7.539 1.00 0.00 H +ATOM 719 HB3 ASN A 42 3.112 3.514 7.334 1.00 0.00 H +ATOM 720 HD21 ASN A 42 3.496 6.303 6.726 1.00 0.00 H +ATOM 721 HD22 ASN A 42 2.324 7.169 7.652 1.00 0.00 H +ATOM 722 N LYS A 43 5.816 1.692 9.236 1.00 0.00 N +ATOM 723 CA LYS A 43 6.454 0.463 8.794 1.00 0.00 C +ATOM 724 C LYS A 43 5.868 -0.747 9.490 1.00 0.00 C +ATOM 725 O LYS A 43 5.449 -0.675 10.653 1.00 0.00 O +ATOM 726 CB LYS A 43 7.984 0.506 8.987 1.00 0.00 C +ATOM 727 CG LYS A 43 8.622 1.689 8.320 1.00 0.00 C +ATOM 728 CD LYS A 43 10.146 1.673 8.346 1.00 0.00 C +ATOM 729 CE LYS A 43 10.726 0.760 7.269 1.00 0.00 C +ATOM 730 NZ LYS A 43 12.198 0.900 7.153 1.00 0.00 N +ATOM 731 H LYS A 43 6.292 2.278 9.865 1.00 0.00 H +ATOM 732 HA LYS A 43 6.249 0.367 7.738 1.00 0.00 H +ATOM 733 HB2 LYS A 43 8.208 0.590 10.042 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.430 -0.393 8.592 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.301 1.699 7.287 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.251 2.581 8.802 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.509 2.678 8.192 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.467 1.325 9.317 1.00 0.00 H +ATOM 739 HE2 LYS A 43 10.489 -0.266 7.512 1.00 0.00 H +ATOM 740 HE3 LYS A 43 10.275 1.014 6.321 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 12.526 0.484 6.253 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 12.682 0.399 7.923 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.504 1.893 7.176 1.00 0.00 H +ATOM 744 N LEU A 44 5.787 -1.831 8.764 1.00 0.00 N +ATOM 745 CA LEU A 44 5.348 -3.077 9.313 1.00 0.00 C +ATOM 746 C LEU A 44 6.451 -3.643 10.163 1.00 0.00 C +ATOM 747 O LEU A 44 7.626 -3.655 9.754 1.00 0.00 O +ATOM 748 CB LEU A 44 4.967 -4.075 8.222 1.00 0.00 C +ATOM 749 CG LEU A 44 3.748 -3.763 7.370 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.478 -4.905 6.414 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.553 -3.527 8.242 1.00 0.00 C +ATOM 752 H LEU A 44 6.054 -1.774 7.817 1.00 0.00 H +ATOM 753 HA LEU A 44 4.489 -2.886 9.939 1.00 0.00 H +ATOM 754 HB2 LEU A 44 5.801 -4.117 7.540 1.00 0.00 H +ATOM 755 HB3 LEU A 44 4.832 -5.046 8.675 1.00 0.00 H +ATOM 756 HG LEU A 44 3.932 -2.870 6.789 1.00 0.00 H +ATOM 757 HD11 LEU A 44 4.324 -5.042 5.757 1.00 0.00 H +ATOM 758 HD12 LEU A 44 2.597 -4.684 5.832 1.00 0.00 H +ATOM 759 HD13 LEU A 44 3.312 -5.811 6.978 1.00 0.00 H +ATOM 760 HD21 LEU A 44 2.725 -2.643 8.834 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.424 -4.379 8.892 1.00 0.00 H +ATOM 762 HD23 LEU A 44 1.671 -3.399 7.633 1.00 0.00 H +ATOM 763 N ARG A 45 6.093 -4.085 11.331 1.00 0.00 N +ATOM 764 CA ARG A 45 7.044 -4.586 12.281 1.00 0.00 C +ATOM 765 C ARG A 45 7.552 -5.959 11.834 1.00 0.00 C +ATOM 766 O ARG A 45 6.810 -6.945 11.867 1.00 0.00 O +ATOM 767 CB ARG A 45 6.380 -4.671 13.653 1.00 0.00 C +ATOM 768 CG ARG A 45 7.329 -4.572 14.834 1.00 0.00 C +ATOM 769 CD ARG A 45 7.962 -3.188 14.888 1.00 0.00 C +ATOM 770 NE ARG A 45 8.742 -2.982 16.105 1.00 0.00 N +ATOM 771 CZ ARG A 45 9.357 -1.841 16.439 1.00 0.00 C +ATOM 772 NH1 ARG A 45 9.314 -0.788 15.634 1.00 0.00 N +ATOM 773 NH2 ARG A 45 10.004 -1.763 17.582 1.00 0.00 N +ATOM 774 H ARG A 45 5.146 -4.068 11.580 1.00 0.00 H +ATOM 775 HA ARG A 45 7.876 -3.901 12.334 1.00 0.00 H +ATOM 776 HB2 ARG A 45 5.666 -3.865 13.733 1.00 0.00 H +ATOM 777 HB3 ARG A 45 5.846 -5.608 13.718 1.00 0.00 H +ATOM 778 HG2 ARG A 45 6.780 -4.747 15.748 1.00 0.00 H +ATOM 779 HG3 ARG A 45 8.106 -5.314 14.726 1.00 0.00 H +ATOM 780 HD2 ARG A 45 8.625 -3.066 14.045 1.00 0.00 H +ATOM 781 HD3 ARG A 45 7.182 -2.443 14.845 1.00 0.00 H +ATOM 782 HE ARG A 45 8.787 -3.753 16.716 1.00 0.00 H +ATOM 783 HH11 ARG A 45 8.818 -0.813 14.762 1.00 0.00 H +ATOM 784 HH12 ARG A 45 9.783 0.074 15.839 1.00 0.00 H +ATOM 785 HH21 ARG A 45 10.051 -2.541 18.217 1.00 0.00 H +ATOM 786 HH22 ARG A 45 10.486 -0.940 17.895 1.00 0.00 H +ATOM 787 N GLY A 46 8.787 -6.000 11.381 1.00 0.00 N +ATOM 788 CA GLY A 46 9.392 -7.239 10.942 1.00 0.00 C +ATOM 789 C GLY A 46 9.185 -7.500 9.467 1.00 0.00 C +ATOM 790 O GLY A 46 9.072 -8.646 9.046 1.00 0.00 O +ATOM 791 H GLY A 46 9.307 -5.170 11.352 1.00 0.00 H +ATOM 792 HA2 GLY A 46 10.451 -7.202 11.144 1.00 0.00 H +ATOM 793 HA3 GLY A 46 8.953 -8.053 11.501 1.00 0.00 H +ATOM 794 N MET A 47 9.132 -6.445 8.682 1.00 0.00 N +ATOM 795 CA MET A 47 8.916 -6.561 7.244 1.00 0.00 C +ATOM 796 C MET A 47 9.897 -5.676 6.494 1.00 0.00 C +ATOM 797 O MET A 47 10.207 -4.569 6.960 1.00 0.00 O +ATOM 798 CB MET A 47 7.487 -6.164 6.899 1.00 0.00 C +ATOM 799 CG MET A 47 6.436 -7.179 7.327 1.00 0.00 C +ATOM 800 SD MET A 47 6.371 -8.617 6.250 1.00 0.00 S +ATOM 801 CE MET A 47 5.605 -7.904 4.788 1.00 0.00 C +ATOM 802 H MET A 47 9.252 -5.550 9.065 1.00 0.00 H +ATOM 803 HA MET A 47 9.066 -7.598 6.987 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.297 -5.232 7.404 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.415 -6.010 5.832 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.654 -7.510 8.331 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.471 -6.694 7.312 1.00 0.00 H +ATOM 808 HE1 MET A 47 6.207 -7.090 4.410 1.00 0.00 H +ATOM 809 HE2 MET A 47 4.623 -7.535 5.050 1.00 0.00 H +ATOM 810 HE3 MET A 47 5.500 -8.660 4.025 1.00 0.00 H +ATOM 811 N PRO A 48 10.408 -6.126 5.332 1.00 0.00 N +ATOM 812 CA PRO A 48 11.380 -5.363 4.545 1.00 0.00 C +ATOM 813 C PRO A 48 10.763 -4.125 3.880 1.00 0.00 C +ATOM 814 O PRO A 48 10.144 -4.218 2.810 1.00 0.00 O +ATOM 815 CB PRO A 48 11.875 -6.358 3.478 1.00 0.00 C +ATOM 816 CG PRO A 48 11.331 -7.686 3.887 1.00 0.00 C +ATOM 817 CD PRO A 48 10.089 -7.407 4.681 1.00 0.00 C +ATOM 818 HA PRO A 48 12.210 -5.048 5.161 1.00 0.00 H +ATOM 819 HB2 PRO A 48 11.502 -6.063 2.509 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.954 -6.369 3.467 1.00 0.00 H +ATOM 821 HG2 PRO A 48 11.098 -8.272 3.010 1.00 0.00 H +ATOM 822 HG3 PRO A 48 12.056 -8.205 4.498 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.223 -7.322 4.042 1.00 0.00 H +ATOM 824 HD3 PRO A 48 9.949 -8.191 5.409 1.00 0.00 H +ATOM 825 N ASP A 49 10.873 -2.994 4.581 1.00 0.00 N +ATOM 826 CA ASP A 49 10.405 -1.669 4.129 1.00 0.00 C +ATOM 827 C ASP A 49 8.989 -1.660 3.627 1.00 0.00 C +ATOM 828 O ASP A 49 8.661 -1.006 2.634 1.00 0.00 O +ATOM 829 CB ASP A 49 11.375 -1.003 3.147 1.00 0.00 C +ATOM 830 CG ASP A 49 12.618 -0.521 3.852 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.593 0.570 4.450 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.636 -1.238 3.864 1.00 0.00 O +ATOM 833 H ASP A 49 11.302 -3.060 5.462 1.00 0.00 H +ATOM 834 HA ASP A 49 10.383 -1.062 5.023 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.652 -1.713 2.381 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.888 -0.156 2.686 1.00 0.00 H +ATOM 837 N CYS A 50 8.143 -2.363 4.331 1.00 0.00 N +ATOM 838 CA CYS A 50 6.752 -2.379 4.020 1.00 0.00 C +ATOM 839 C CYS A 50 6.058 -1.432 4.983 1.00 0.00 C +ATOM 840 O CYS A 50 6.428 -1.364 6.160 1.00 0.00 O +ATOM 841 CB CYS A 50 6.213 -3.794 4.170 1.00 0.00 C +ATOM 842 SG CYS A 50 7.141 -5.033 3.232 1.00 0.00 S +ATOM 843 H CYS A 50 8.474 -2.885 5.090 1.00 0.00 H +ATOM 844 HA CYS A 50 6.613 -2.038 3.006 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.250 -4.073 5.212 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.188 -3.821 3.831 1.00 0.00 H +ATOM 847 HG CYS A 50 8.283 -4.479 2.834 1.00 0.00 H +ATOM 848 N TYR A 51 5.090 -0.714 4.501 1.00 0.00 N +ATOM 849 CA TYR A 51 4.396 0.290 5.271 1.00 0.00 C +ATOM 850 C TYR A 51 2.905 0.073 5.140 1.00 0.00 C +ATOM 851 O TYR A 51 2.428 -0.389 4.092 1.00 0.00 O +ATOM 852 CB TYR A 51 4.737 1.709 4.762 1.00 0.00 C +ATOM 853 CG TYR A 51 6.198 2.137 4.847 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.185 1.530 4.080 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.579 3.169 5.674 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.502 1.937 4.150 1.00 0.00 C +ATOM 857 CE2 TYR A 51 7.891 3.579 5.744 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.847 2.961 4.984 1.00 0.00 C +ATOM 859 OH TYR A 51 10.164 3.371 5.068 1.00 0.00 O +ATOM 860 H TYR A 51 4.803 -0.853 3.570 1.00 0.00 H +ATOM 861 HA TYR A 51 4.687 0.208 6.306 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.443 1.783 3.725 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.153 2.414 5.336 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.910 0.716 3.425 1.00 0.00 H +ATOM 865 HD2 TYR A 51 5.832 3.660 6.277 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.252 1.449 3.543 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.164 4.389 6.404 1.00 0.00 H +ATOM 868 HH TYR A 51 10.566 3.343 4.189 1.00 0.00 H +ATOM 869 N LYS A 52 2.185 0.367 6.196 1.00 0.00 N +ATOM 870 CA LYS A 52 0.749 0.240 6.217 1.00 0.00 C +ATOM 871 C LYS A 52 0.085 1.604 6.382 1.00 0.00 C +ATOM 872 O LYS A 52 0.568 2.471 7.132 1.00 0.00 O +ATOM 873 CB LYS A 52 0.358 -0.638 7.403 1.00 0.00 C +ATOM 874 CG LYS A 52 0.887 -0.074 8.709 1.00 0.00 C +ATOM 875 CD LYS A 52 0.717 -0.987 9.866 1.00 0.00 C +ATOM 876 CE LYS A 52 1.491 -0.447 11.042 1.00 0.00 C +ATOM 877 NZ LYS A 52 0.803 0.676 11.724 1.00 0.00 N +ATOM 878 H LYS A 52 2.629 0.668 7.025 1.00 0.00 H +ATOM 879 HA LYS A 52 0.412 -0.240 5.311 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.720 -0.696 7.458 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.766 -1.627 7.262 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.939 0.138 8.603 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.362 0.848 8.907 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -0.331 -1.029 10.119 1.00 0.00 H +ATOM 885 HD3 LYS A 52 1.072 -1.976 9.624 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.705 -1.257 11.711 1.00 0.00 H +ATOM 887 HE3 LYS A 52 2.439 -0.090 10.666 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 0.662 1.504 11.112 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 1.342 0.970 12.565 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 -0.127 0.359 12.071 1.00 0.00 H +ATOM 891 N ILE A 53 -0.982 1.798 5.685 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.824 2.944 5.886 1.00 0.00 C +ATOM 893 C ILE A 53 -3.202 2.422 6.182 1.00 0.00 C +ATOM 894 O ILE A 53 -3.704 1.561 5.454 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.881 3.908 4.655 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.486 4.489 4.353 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -2.892 5.040 4.900 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.459 5.477 3.199 1.00 0.00 C +ATOM 899 H ILE A 53 -1.227 1.140 4.994 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.457 3.475 6.753 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.218 3.341 3.801 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.121 5.000 5.231 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.184 3.675 4.116 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -2.935 5.689 4.038 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.594 5.630 5.755 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.876 4.631 5.081 1.00 0.00 H +ATOM 907 HD11 ILE A 53 -1.074 6.329 3.446 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -0.849 5.007 2.308 1.00 0.00 H +ATOM 909 HD13 ILE A 53 0.556 5.803 3.022 1.00 0.00 H +ATOM 910 N LYS A 54 -3.781 2.866 7.258 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.102 2.447 7.596 1.00 0.00 C +ATOM 912 C LYS A 54 -6.088 3.535 7.304 1.00 0.00 C +ATOM 913 O LYS A 54 -5.766 4.724 7.404 1.00 0.00 O +ATOM 914 CB LYS A 54 -5.206 1.878 9.035 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.596 2.724 10.142 1.00 0.00 C +ATOM 916 CD LYS A 54 -5.366 3.990 10.433 1.00 0.00 C +ATOM 917 CE LYS A 54 -4.622 4.802 11.439 1.00 0.00 C +ATOM 918 NZ LYS A 54 -5.316 6.055 11.785 1.00 0.00 N +ATOM 919 H LYS A 54 -3.330 3.527 7.827 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.321 1.653 6.904 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -6.251 1.743 9.272 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.731 0.909 9.051 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.569 2.136 11.048 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -3.587 2.981 9.856 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -5.477 4.555 9.519 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -6.338 3.735 10.828 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -4.484 4.190 12.316 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -3.666 5.017 10.986 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -4.760 6.587 12.485 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -6.248 5.848 12.197 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -5.454 6.650 10.946 1.00 0.00 H +ATOM 932 N LEU A 55 -7.241 3.158 6.893 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.238 4.110 6.584 1.00 0.00 C +ATOM 934 C LEU A 55 -8.976 4.468 7.859 1.00 0.00 C +ATOM 935 O LEU A 55 -9.159 3.624 8.736 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.201 3.548 5.540 1.00 0.00 C +ATOM 937 CG LEU A 55 -10.044 4.574 4.803 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -9.155 5.450 3.983 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -11.070 3.909 3.926 1.00 0.00 C +ATOM 940 H LEU A 55 -7.429 2.198 6.781 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.754 4.989 6.186 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.624 2.998 4.811 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.868 2.858 6.035 1.00 0.00 H +ATOM 944 HG LEU A 55 -10.558 5.233 5.488 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -8.534 4.830 3.353 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -8.550 6.082 4.615 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -9.795 6.049 3.357 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.717 3.281 4.522 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -10.564 3.322 3.175 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -11.654 4.681 3.447 1.00 0.00 H +ATOM 951 N ARG A 56 -9.346 5.708 7.984 1.00 0.00 N +ATOM 952 CA ARG A 56 -10.085 6.162 9.144 1.00 0.00 C +ATOM 953 C ARG A 56 -11.574 6.014 8.878 1.00 0.00 C +ATOM 954 O ARG A 56 -12.368 5.769 9.781 1.00 0.00 O +ATOM 955 CB ARG A 56 -9.746 7.618 9.430 1.00 0.00 C +ATOM 956 CG ARG A 56 -10.430 8.192 10.655 1.00 0.00 C +ATOM 957 CD ARG A 56 -10.089 9.649 10.804 1.00 0.00 C +ATOM 958 NE ARG A 56 -10.728 10.262 11.967 1.00 0.00 N +ATOM 959 CZ ARG A 56 -10.598 11.545 12.294 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -9.906 12.357 11.505 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -11.183 12.022 13.386 1.00 0.00 N +ATOM 962 H ARG A 56 -9.095 6.349 7.288 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.807 5.555 9.992 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -8.679 7.704 9.571 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -10.033 8.212 8.575 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -11.498 8.084 10.549 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -10.093 7.658 11.530 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -9.018 9.751 10.904 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -10.418 10.165 9.916 1.00 0.00 H +ATOM 970 HE ARG A 56 -11.266 9.652 12.522 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -9.472 12.035 10.658 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -9.794 13.331 11.724 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -11.742 11.453 13.998 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -11.073 12.981 13.662 1.00 0.00 H +ATOM 975 N SER A 57 -11.928 6.139 7.620 1.00 0.00 N +ATOM 976 CA SER A 57 -13.294 6.062 7.167 1.00 0.00 C +ATOM 977 C SER A 57 -13.877 4.642 7.392 1.00 0.00 C +ATOM 978 O SER A 57 -15.073 4.479 7.639 1.00 0.00 O +ATOM 979 CB SER A 57 -13.290 6.411 5.688 1.00 0.00 C +ATOM 980 OG SER A 57 -12.356 7.471 5.446 1.00 0.00 O +ATOM 981 H SER A 57 -11.260 6.331 6.930 1.00 0.00 H +ATOM 982 HA SER A 57 -13.884 6.795 7.695 1.00 0.00 H +ATOM 983 HB2 SER A 57 -12.996 5.542 5.119 1.00 0.00 H +ATOM 984 HB3 SER A 57 -14.273 6.732 5.379 1.00 0.00 H +ATOM 985 HG SER A 57 -12.754 8.330 5.644 1.00 0.00 H +ATOM 986 N SER A 58 -13.012 3.642 7.346 1.00 0.00 N +ATOM 987 CA SER A 58 -13.392 2.261 7.494 1.00 0.00 C +ATOM 988 C SER A 58 -12.107 1.485 7.780 1.00 0.00 C +ATOM 989 O SER A 58 -11.037 1.967 7.440 1.00 0.00 O +ATOM 990 CB SER A 58 -14.064 1.786 6.193 1.00 0.00 C +ATOM 991 OG SER A 58 -14.601 0.476 6.297 1.00 0.00 O +ATOM 992 H SER A 58 -12.052 3.811 7.232 1.00 0.00 H +ATOM 993 HA SER A 58 -14.075 2.170 8.326 1.00 0.00 H +ATOM 994 HB2 SER A 58 -14.869 2.461 5.947 1.00 0.00 H +ATOM 995 HB3 SER A 58 -13.338 1.802 5.393 1.00 0.00 H +ATOM 996 HG SER A 58 -15.118 0.377 7.105 1.00 0.00 H +ATOM 997 N GLY A 59 -12.207 0.303 8.369 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.026 -0.450 8.800 1.00 0.00 C +ATOM 999 C GLY A 59 -10.267 -1.160 7.685 1.00 0.00 C +ATOM 1000 O GLY A 59 -9.942 -2.352 7.797 1.00 0.00 O +ATOM 1001 H GLY A 59 -13.090 -0.096 8.521 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.345 0.234 9.284 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.337 -1.185 9.527 1.00 0.00 H +ATOM 1004 N TYR A 60 -9.952 -0.446 6.649 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.190 -0.982 5.552 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.748 -0.579 5.698 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.450 0.510 6.183 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.740 -0.514 4.207 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.004 -1.219 3.759 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.232 -0.973 4.358 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -10.958 -2.131 2.718 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.376 -1.622 3.927 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.090 -2.778 2.280 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.296 -2.523 2.885 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.434 -3.166 2.441 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.210 0.503 6.642 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.258 -2.059 5.605 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -9.963 0.541 4.271 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -8.987 -0.666 3.449 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.288 -0.266 5.173 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.009 -2.329 2.245 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.324 -1.419 4.404 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.027 -3.483 1.466 1.00 0.00 H +ATOM 1024 HH TYR A 60 -14.212 -4.103 2.317 1.00 0.00 H +ATOM 1025 N ARG A 61 -6.870 -1.461 5.332 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.453 -1.228 5.395 1.00 0.00 C +ATOM 1027 C ARG A 61 -4.859 -1.418 4.028 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.296 -2.287 3.260 1.00 0.00 O +ATOM 1029 CB ARG A 61 -4.735 -2.176 6.386 1.00 0.00 C +ATOM 1030 CG ARG A 61 -4.883 -1.861 7.882 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.305 -2.010 8.405 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.360 -1.803 9.853 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -7.350 -2.196 10.665 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -8.490 -2.683 10.168 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.215 -2.041 11.969 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.164 -2.318 4.949 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.294 -0.207 5.708 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.111 -3.175 6.229 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -3.682 -2.173 6.146 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.248 -2.534 8.439 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -4.547 -0.850 8.048 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -6.931 -1.276 7.920 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.669 -3.001 8.176 1.00 0.00 H +ATOM 1044 HE ARG A 61 -5.561 -1.365 10.233 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -8.671 -2.769 9.185 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -9.231 -3.005 10.767 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -6.391 -1.632 12.364 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -7.919 -2.319 12.632 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.913 -0.613 3.715 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.211 -0.716 2.483 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.743 -0.932 2.822 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.170 -0.180 3.621 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.468 0.558 1.640 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.955 0.584 0.189 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.638 1.696 -0.577 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.466 0.816 0.142 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.667 0.106 4.342 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.585 -1.583 1.960 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.536 0.718 1.610 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.024 1.390 2.168 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.176 -0.357 -0.294 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.437 2.641 -0.094 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -4.702 1.516 -0.608 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.243 1.712 -1.582 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.258 1.756 0.629 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.138 0.854 -0.887 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -0.958 0.018 0.662 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.164 -1.972 2.261 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.204 -2.349 2.541 1.00 0.00 C +ATOM 1070 C VAL A 63 1.045 -2.236 1.273 1.00 0.00 C +ATOM 1071 O VAL A 63 0.734 -2.854 0.234 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.290 -3.802 3.097 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.731 -4.194 3.387 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.556 -3.956 4.354 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.659 -2.509 1.602 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.590 -1.669 3.285 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.095 -4.473 2.342 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 1.751 -5.200 3.781 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.142 -3.514 4.119 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 2.314 -4.146 2.480 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.204 -3.270 5.110 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.474 -4.968 4.722 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -1.588 -3.737 4.124 1.00 0.00 H +ATOM 1084 N TYR A 64 2.089 -1.462 1.352 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.970 -1.236 0.233 1.00 0.00 C +ATOM 1086 C TYR A 64 4.410 -1.317 0.679 1.00 0.00 C +ATOM 1087 O TYR A 64 4.686 -1.193 1.858 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.681 0.129 -0.436 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.778 1.354 0.462 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 3.994 1.815 0.956 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.649 2.066 0.778 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.059 2.940 1.739 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.703 3.186 1.557 1.00 0.00 C +ATOM 1094 CZ TYR A 64 2.912 3.622 2.039 1.00 0.00 C +ATOM 1095 OH TYR A 64 2.969 4.738 2.831 1.00 0.00 O +ATOM 1096 H TYR A 64 2.299 -1.029 2.213 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.788 -2.019 -0.487 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.344 0.282 -1.273 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.669 0.095 -0.814 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.896 1.268 0.721 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.701 1.720 0.397 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.011 3.284 2.113 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.789 3.716 1.780 1.00 0.00 H +ATOM 1104 HH TYR A 64 2.268 4.682 3.485 1.00 0.00 H +ATOM 1105 N GLN A 65 5.303 -1.554 -0.232 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.703 -1.543 0.095 1.00 0.00 C +ATOM 1107 C GLN A 65 7.355 -0.356 -0.591 1.00 0.00 C +ATOM 1108 O GLN A 65 7.011 -0.020 -1.737 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.400 -2.862 -0.284 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.493 -3.138 -1.777 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.173 -4.451 -2.076 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.531 -5.481 -2.214 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.483 -4.438 -2.120 1.00 0.00 N +ATOM 1114 H GLN A 65 5.020 -1.724 -1.160 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.780 -1.386 1.161 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.405 -2.838 0.112 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.866 -3.675 0.183 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.494 -3.165 -2.187 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 8.052 -2.341 -2.245 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.977 -3.605 -1.958 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.929 -5.292 -2.302 1.00 0.00 H +ATOM 1122 N VAL A 66 8.241 0.300 0.098 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.911 1.441 -0.467 1.00 0.00 C +ATOM 1124 C VAL A 66 10.260 1.034 -1.007 1.00 0.00 C +ATOM 1125 O VAL A 66 11.167 0.640 -0.260 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.057 2.608 0.556 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.884 3.754 -0.020 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.686 3.124 0.959 1.00 0.00 C +ATOM 1129 H VAL A 66 8.470 -0.003 1.005 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.307 1.782 -1.295 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.551 2.236 1.440 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 10.868 3.387 -0.276 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 9.977 4.534 0.722 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.400 4.144 -0.902 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.167 3.494 0.088 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.799 3.918 1.682 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 7.116 2.318 1.398 1.00 0.00 H +ATOM 1138 N ILE A 67 10.382 1.077 -2.298 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.618 0.781 -2.923 1.00 0.00 C +ATOM 1140 C ILE A 67 12.272 2.107 -3.266 1.00 0.00 C +ATOM 1141 O ILE A 67 11.990 2.705 -4.304 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.416 -0.058 -4.211 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.506 -1.263 -3.922 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.767 -0.539 -4.732 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 10.146 -2.075 -5.148 1.00 0.00 C +ATOM 1146 H ILE A 67 9.622 1.344 -2.863 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.239 0.238 -2.229 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.954 0.563 -4.965 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 11.005 -1.922 -3.228 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.589 -0.908 -3.476 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 13.392 0.309 -4.964 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 12.622 -1.135 -5.621 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.248 -1.138 -3.974 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 11.048 -2.460 -5.601 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.628 -1.445 -5.857 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 9.507 -2.897 -4.861 1.00 0.00 H +ATOM 1157 N ASP A 68 13.128 2.566 -2.395 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.799 3.854 -2.564 1.00 0.00 C +ATOM 1159 C ASP A 68 14.829 3.752 -3.659 1.00 0.00 C +ATOM 1160 O ASP A 68 15.091 4.716 -4.393 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.454 4.303 -1.260 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.198 5.607 -1.411 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 14.577 6.685 -1.299 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 16.420 5.588 -1.647 1.00 0.00 O +ATOM 1165 H ASP A 68 13.355 2.012 -1.617 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.056 4.579 -2.856 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 13.694 4.430 -0.504 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.151 3.546 -0.935 1.00 0.00 H +ATOM 1169 N GLU A 69 15.356 2.552 -3.790 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.343 2.193 -4.788 1.00 0.00 C +ATOM 1171 C GLU A 69 15.806 2.498 -6.187 1.00 0.00 C +ATOM 1172 O GLU A 69 16.531 2.984 -7.060 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.671 0.682 -4.717 1.00 0.00 C +ATOM 1174 CG GLU A 69 16.992 0.114 -3.324 1.00 0.00 C +ATOM 1175 CD GLU A 69 15.754 -0.203 -2.488 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 15.177 0.708 -1.872 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 15.336 -1.365 -2.439 1.00 0.00 O +ATOM 1178 H GLU A 69 15.090 1.874 -3.124 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.245 2.755 -4.604 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.821 0.136 -5.100 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.513 0.496 -5.364 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 17.558 -0.798 -3.446 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 17.594 0.836 -2.793 1.00 0.00 H +ATOM 1184 N LYS A 70 14.530 2.209 -6.381 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.865 2.420 -7.657 1.00 0.00 C +ATOM 1186 C LYS A 70 12.897 3.601 -7.568 1.00 0.00 C +ATOM 1187 O LYS A 70 12.151 3.861 -8.507 1.00 0.00 O +ATOM 1188 CB LYS A 70 13.107 1.160 -8.080 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.963 -0.090 -8.218 1.00 0.00 C +ATOM 1190 CD LYS A 70 13.106 -1.279 -8.616 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.908 -2.566 -8.675 1.00 0.00 C +ATOM 1192 NZ LYS A 70 13.079 -3.713 -9.103 1.00 0.00 N +ATOM 1193 H LYS A 70 14.013 1.861 -5.625 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.617 2.643 -8.398 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.359 0.954 -7.330 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.618 1.347 -9.025 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.715 0.077 -8.974 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.438 -0.298 -7.270 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 12.314 -1.398 -7.891 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.677 -1.083 -9.587 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 14.716 -2.443 -9.379 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 14.311 -2.767 -7.696 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 13.622 -4.599 -9.064 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 12.765 -3.581 -10.086 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 12.232 -3.830 -8.511 1.00 0.00 H +ATOM 1206 N VAL A 71 12.899 4.268 -6.402 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.064 5.452 -6.080 1.00 0.00 C +ATOM 1208 C VAL A 71 10.563 5.198 -6.375 1.00 0.00 C +ATOM 1209 O VAL A 71 9.815 6.069 -6.825 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.621 6.810 -6.705 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 12.509 6.899 -8.220 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 12.019 8.041 -6.034 1.00 0.00 C +ATOM 1213 H VAL A 71 13.478 3.929 -5.689 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.120 5.518 -5.001 1.00 0.00 H +ATOM 1215 HB VAL A 71 13.680 6.816 -6.490 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 13.068 6.094 -8.672 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.903 7.847 -8.556 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 11.470 6.821 -8.508 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 10.947 8.017 -6.160 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 12.417 8.932 -6.495 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 12.258 8.038 -4.981 1.00 0.00 H +ATOM 1222 N VAL A 72 10.121 4.011 -6.035 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.760 3.613 -6.276 1.00 0.00 C +ATOM 1224 C VAL A 72 8.157 2.966 -5.031 1.00 0.00 C +ATOM 1225 O VAL A 72 8.825 2.228 -4.296 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.634 2.660 -7.525 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.457 1.396 -7.356 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.176 2.310 -7.832 1.00 0.00 C +ATOM 1229 H VAL A 72 10.724 3.389 -5.573 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.204 4.516 -6.479 1.00 0.00 H +ATOM 1231 HB VAL A 72 9.039 3.192 -8.376 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 10.490 1.673 -7.218 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 9.356 0.783 -8.239 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 9.109 0.852 -6.489 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 7.129 1.660 -8.693 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.616 3.211 -8.031 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.744 1.807 -6.979 1.00 0.00 H +ATOM 1238 N VAL A 73 6.940 3.304 -4.780 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.159 2.757 -3.728 1.00 0.00 C +ATOM 1240 C VAL A 73 5.242 1.720 -4.369 1.00 0.00 C +ATOM 1241 O VAL A 73 4.396 2.055 -5.210 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.326 3.875 -3.052 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.456 3.322 -1.960 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.235 4.963 -2.501 1.00 0.00 C +ATOM 1245 H VAL A 73 6.505 3.973 -5.353 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.810 2.290 -3.004 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.692 4.321 -3.804 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 5.076 2.860 -1.206 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 3.785 2.584 -2.375 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.884 4.122 -1.512 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 6.798 5.403 -3.311 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 6.916 4.535 -1.781 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 5.638 5.726 -2.022 1.00 0.00 H +ATOM 1254 N PHE A 74 5.431 0.488 -4.009 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.732 -0.604 -4.643 1.00 0.00 C +ATOM 1256 C PHE A 74 3.696 -1.197 -3.701 1.00 0.00 C +ATOM 1257 O PHE A 74 4.047 -1.777 -2.672 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.759 -1.664 -5.078 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.192 -2.848 -5.811 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.804 -2.737 -7.134 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 5.064 -4.077 -5.179 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.298 -3.824 -7.815 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.560 -5.167 -5.854 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.177 -5.040 -7.174 1.00 0.00 C +ATOM 1265 H PHE A 74 6.055 0.291 -3.274 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.235 -0.227 -5.524 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.480 -1.198 -5.733 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.275 -2.028 -4.202 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 4.899 -1.786 -7.636 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.364 -4.174 -4.146 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 3.997 -3.724 -8.846 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.466 -6.119 -5.354 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.782 -5.893 -7.705 1.00 0.00 H +ATOM 1274 N VAL A 75 2.434 -1.032 -4.043 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.341 -1.553 -3.247 1.00 0.00 C +ATOM 1276 C VAL A 75 1.240 -3.048 -3.458 1.00 0.00 C +ATOM 1277 O VAL A 75 1.052 -3.513 -4.589 1.00 0.00 O +ATOM 1278 CB VAL A 75 -0.010 -0.873 -3.605 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.156 -1.419 -2.750 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.098 0.640 -3.453 1.00 0.00 C +ATOM 1281 H VAL A 75 2.240 -0.550 -4.879 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.567 -1.369 -2.207 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.235 -1.093 -4.639 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -2.079 -0.922 -3.011 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -0.943 -1.252 -1.704 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -1.260 -2.481 -2.921 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.857 1.012 -4.126 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 0.371 0.884 -2.437 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 -0.852 1.097 -3.692 1.00 0.00 H +ATOM 1290 N ILE A 76 1.355 -3.792 -2.385 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.358 -5.235 -2.458 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.048 -5.763 -2.204 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.527 -6.675 -2.889 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.303 -5.842 -1.378 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.698 -5.202 -1.438 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.417 -7.357 -1.558 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.622 -5.649 -0.319 1.00 0.00 C +ATOM 1298 H ILE A 76 1.431 -3.357 -1.505 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.703 -5.542 -3.434 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.868 -5.651 -0.409 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.167 -5.467 -2.374 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.600 -4.127 -1.383 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 2.788 -7.573 -2.550 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 1.447 -7.814 -1.429 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 3.107 -7.750 -0.827 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 5.591 -5.189 -0.446 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.729 -6.723 -0.343 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 4.209 -5.356 0.636 1.00 0.00 H +ATOM 1309 N SER A 77 -0.711 -5.195 -1.230 1.00 0.00 N +ATOM 1310 CA SER A 77 -2.024 -5.646 -0.845 1.00 0.00 C +ATOM 1311 C SER A 77 -2.840 -4.490 -0.307 1.00 0.00 C +ATOM 1312 O SER A 77 -2.289 -3.527 0.239 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.905 -6.758 0.208 1.00 0.00 C +ATOM 1314 OG SER A 77 -1.157 -7.844 -0.306 1.00 0.00 O +ATOM 1315 H SER A 77 -0.331 -4.434 -0.737 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.512 -6.049 -1.719 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.403 -6.374 1.083 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.888 -7.110 0.481 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.892 -7.605 -1.202 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.124 -4.571 -0.491 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.037 -3.566 -0.033 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.379 -4.227 0.308 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.874 -5.080 -0.453 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.198 -2.419 -1.091 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.722 -2.926 -2.432 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.063 -1.296 -0.561 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.504 -5.357 -0.942 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.627 -3.153 0.878 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.210 -2.022 -1.276 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -5.032 -3.652 -2.837 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.821 -2.100 -3.121 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -6.686 -3.391 -2.286 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -7.045 -1.677 -0.327 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -6.136 -0.521 -1.309 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -5.610 -0.890 0.332 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.918 -3.913 1.460 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.179 -4.484 1.858 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.315 -4.524 3.355 1.00 0.00 C +ATOM 1339 O GLY A 79 -7.676 -3.749 4.055 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.454 -3.301 2.077 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.987 -3.908 1.433 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.229 -5.494 1.482 1.00 0.00 H +ATOM 1343 N LYS A 80 -9.128 -5.412 3.854 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.310 -5.543 5.280 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.184 -6.363 5.897 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.562 -7.212 5.233 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.684 -6.131 5.628 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.852 -5.227 5.242 1.00 0.00 C +ATOM 1349 CD LYS A 80 -13.198 -5.792 5.691 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.545 -7.104 4.993 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -14.840 -7.646 5.461 1.00 0.00 N +ATOM 1352 H LYS A 80 -9.615 -6.006 3.244 1.00 0.00 H +ATOM 1353 HA LYS A 80 -9.248 -4.545 5.689 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.794 -7.070 5.107 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.730 -6.312 6.691 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.712 -4.262 5.708 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.861 -5.106 4.169 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -13.165 -5.967 6.755 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.966 -5.064 5.475 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -13.602 -6.929 3.930 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -12.767 -7.824 5.196 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -15.085 -8.521 4.958 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -15.611 -6.966 5.304 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -14.786 -7.865 6.478 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.919 -6.105 7.152 1.00 0.00 N +ATOM 1366 CA ALA A 81 -6.839 -6.748 7.858 1.00 0.00 C +ATOM 1367 C ALA A 81 -7.326 -7.258 9.192 1.00 0.00 C +ATOM 1368 O ALA A 81 -6.542 -7.346 10.146 1.00 0.00 O +ATOM 1369 CB ALA A 81 -5.716 -5.759 8.067 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.484 -5.464 7.633 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.468 -7.568 7.261 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -6.063 -4.944 8.684 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -5.379 -5.376 7.116 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -4.906 -6.267 8.568 1.00 0.00 H +ATOM 1375 N GLU A 82 -8.595 -7.670 9.210 1.00 0.00 N +ATOM 1376 CA GLU A 82 -9.305 -8.145 10.403 1.00 0.00 C +ATOM 1377 C GLU A 82 -8.442 -9.136 11.173 1.00 0.00 C +ATOM 1378 O GLU A 82 -8.136 -8.936 12.341 1.00 0.00 O +ATOM 1379 CB GLU A 82 -10.605 -8.821 9.967 1.00 0.00 C +ATOM 1380 CG GLU A 82 -11.536 -9.182 11.094 1.00 0.00 C +ATOM 1381 CD GLU A 82 -12.044 -7.973 11.806 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -12.875 -7.249 11.233 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -11.612 -7.707 12.933 1.00 0.00 O +ATOM 1384 H GLU A 82 -9.085 -7.689 8.358 1.00 0.00 H +ATOM 1385 HA GLU A 82 -9.539 -7.303 11.033 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -11.133 -8.153 9.303 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -10.358 -9.723 9.428 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -12.376 -9.721 10.683 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -11.012 -9.811 11.799 1.00 0.00 H +ATOM 1390 N ALA A 83 -8.020 -10.167 10.488 1.00 0.00 N +ATOM 1391 CA ALA A 83 -7.146 -11.155 11.053 1.00 0.00 C +ATOM 1392 C ALA A 83 -5.860 -11.233 10.234 1.00 0.00 C +ATOM 1393 O ALA A 83 -5.478 -12.292 9.747 1.00 0.00 O +ATOM 1394 CB ALA A 83 -7.840 -12.510 11.136 1.00 0.00 C +ATOM 1395 H ALA A 83 -8.326 -10.270 9.562 1.00 0.00 H +ATOM 1396 HA ALA A 83 -6.897 -10.829 12.052 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -7.190 -13.213 11.636 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -8.051 -12.869 10.140 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -8.763 -12.414 11.688 1.00 0.00 H +ATOM 1400 N SER A 84 -5.213 -10.068 10.060 1.00 0.00 N +ATOM 1401 CA SER A 84 -3.918 -9.915 9.337 1.00 0.00 C +ATOM 1402 C SER A 84 -3.961 -10.453 7.883 1.00 0.00 C +ATOM 1403 O SER A 84 -2.930 -10.834 7.320 1.00 0.00 O +ATOM 1404 CB SER A 84 -2.742 -10.541 10.151 1.00 0.00 C +ATOM 1405 OG SER A 84 -2.959 -11.913 10.464 1.00 0.00 O +ATOM 1406 H SER A 84 -5.630 -9.270 10.454 1.00 0.00 H +ATOM 1407 HA SER A 84 -3.748 -8.851 9.264 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -1.830 -10.469 9.576 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -2.616 -9.989 11.070 1.00 0.00 H +ATOM 1410 HG SER A 84 -3.854 -12.144 10.176 1.00 0.00 H +ATOM 1411 N GLU A 85 -5.131 -10.351 7.256 1.00 0.00 N +ATOM 1412 CA GLU A 85 -5.369 -10.896 5.914 1.00 0.00 C +ATOM 1413 C GLU A 85 -4.380 -10.307 4.883 1.00 0.00 C +ATOM 1414 O GLU A 85 -3.657 -11.043 4.223 1.00 0.00 O +ATOM 1415 CB GLU A 85 -6.800 -10.549 5.507 1.00 0.00 C +ATOM 1416 CG GLU A 85 -7.264 -11.135 4.191 1.00 0.00 C +ATOM 1417 CD GLU A 85 -7.434 -12.628 4.217 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -8.521 -13.104 4.594 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -6.516 -13.351 3.816 1.00 0.00 O +ATOM 1420 H GLU A 85 -5.875 -9.926 7.728 1.00 0.00 H +ATOM 1421 HA GLU A 85 -5.269 -11.970 5.947 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -7.470 -10.903 6.276 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -6.887 -9.474 5.448 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -8.222 -10.701 3.945 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -6.546 -10.880 3.424 1.00 0.00 H +ATOM 1426 N VAL A 86 -4.283 -8.982 4.827 1.00 0.00 N +ATOM 1427 CA VAL A 86 -3.389 -8.329 3.858 1.00 0.00 C +ATOM 1428 C VAL A 86 -1.915 -8.425 4.263 1.00 0.00 C +ATOM 1429 O VAL A 86 -1.027 -8.149 3.470 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.775 -6.849 3.580 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -5.142 -6.771 2.927 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -3.758 -6.024 4.859 1.00 0.00 C +ATOM 1433 H VAL A 86 -4.840 -8.434 5.416 1.00 0.00 H +ATOM 1434 HA VAL A 86 -3.498 -8.885 2.937 1.00 0.00 H +ATOM 1435 HB VAL A 86 -3.049 -6.434 2.895 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -5.129 -7.321 1.998 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -5.391 -5.739 2.733 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -5.878 -7.200 3.590 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -4.460 -6.450 5.561 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -4.039 -5.005 4.637 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -2.767 -6.042 5.289 1.00 0.00 H +ATOM 1442 N TYR A 87 -1.667 -8.849 5.483 1.00 0.00 N +ATOM 1443 CA TYR A 87 -0.307 -8.983 5.975 1.00 0.00 C +ATOM 1444 C TYR A 87 0.267 -10.285 5.491 1.00 0.00 C +ATOM 1445 O TYR A 87 1.389 -10.325 5.003 1.00 0.00 O +ATOM 1446 CB TYR A 87 -0.243 -8.912 7.506 1.00 0.00 C +ATOM 1447 CG TYR A 87 -0.597 -7.561 8.109 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 -1.863 -7.012 7.966 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 0.342 -6.845 8.839 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 -2.180 -5.794 8.525 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 0.026 -5.622 9.402 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -1.237 -5.104 9.238 1.00 0.00 C +ATOM 1453 OH TYR A 87 -1.568 -3.892 9.800 1.00 0.00 O +ATOM 1454 H TYR A 87 -2.418 -9.116 6.051 1.00 0.00 H +ATOM 1455 HA TYR A 87 0.273 -8.173 5.555 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 -0.921 -9.650 7.906 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 0.760 -9.168 7.818 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 -2.607 -7.555 7.402 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 1.333 -7.253 8.964 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 -3.167 -5.377 8.400 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 0.769 -5.078 9.963 1.00 0.00 H +ATOM 1462 HH TYR A 87 -0.838 -3.272 9.718 1.00 0.00 H +ATOM 1463 N SER A 88 -0.533 -11.346 5.582 1.00 0.00 N +ATOM 1464 CA SER A 88 -0.111 -12.656 5.136 1.00 0.00 C +ATOM 1465 C SER A 88 0.068 -12.644 3.612 1.00 0.00 C +ATOM 1466 O SER A 88 0.983 -13.285 3.080 1.00 0.00 O +ATOM 1467 CB SER A 88 -1.118 -13.729 5.574 1.00 0.00 C +ATOM 1468 OG SER A 88 -0.626 -15.049 5.332 1.00 0.00 O +ATOM 1469 H SER A 88 -1.427 -11.247 5.978 1.00 0.00 H +ATOM 1470 HA SER A 88 0.844 -12.857 5.598 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -1.320 -13.621 6.629 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -2.031 -13.593 5.013 1.00 0.00 H +ATOM 1473 HG SER A 88 -0.912 -15.293 4.441 1.00 0.00 H +ATOM 1474 N GLU A 89 -0.786 -11.869 2.930 1.00 0.00 N +ATOM 1475 CA GLU A 89 -0.695 -11.690 1.480 1.00 0.00 C +ATOM 1476 C GLU A 89 0.649 -11.068 1.127 1.00 0.00 C +ATOM 1477 O GLU A 89 1.365 -11.544 0.241 1.00 0.00 O +ATOM 1478 CB GLU A 89 -1.798 -10.747 0.991 1.00 0.00 C +ATOM 1479 CG GLU A 89 -3.219 -11.246 1.158 1.00 0.00 C +ATOM 1480 CD GLU A 89 -3.521 -12.437 0.304 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -3.653 -12.277 -0.924 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -3.686 -13.552 0.841 1.00 0.00 O +ATOM 1483 H GLU A 89 -1.511 -11.418 3.415 1.00 0.00 H +ATOM 1484 HA GLU A 89 -0.803 -12.648 0.994 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -1.713 -9.815 1.531 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -1.628 -10.549 -0.058 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -3.371 -11.521 2.191 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -3.902 -10.449 0.902 1.00 0.00 H +ATOM 1489 N ALA A 90 0.989 -10.018 1.850 1.00 0.00 N +ATOM 1490 CA ALA A 90 2.210 -9.288 1.622 1.00 0.00 C +ATOM 1491 C ALA A 90 3.446 -10.115 1.957 1.00 0.00 C +ATOM 1492 O ALA A 90 4.295 -10.335 1.092 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.206 -7.982 2.403 1.00 0.00 C +ATOM 1494 H ALA A 90 0.380 -9.715 2.556 1.00 0.00 H +ATOM 1495 HA ALA A 90 2.240 -9.044 0.571 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 3.086 -7.408 2.152 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 2.205 -8.198 3.461 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 1.322 -7.414 2.152 1.00 0.00 H +ATOM 1499 N VAL A 91 3.519 -10.619 3.190 1.00 0.00 N +ATOM 1500 CA VAL A 91 4.707 -11.331 3.668 1.00 0.00 C +ATOM 1501 C VAL A 91 5.016 -12.573 2.832 1.00 0.00 C +ATOM 1502 O VAL A 91 6.171 -12.830 2.510 1.00 0.00 O +ATOM 1503 CB VAL A 91 4.648 -11.673 5.204 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 3.536 -12.649 5.539 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 5.989 -12.187 5.716 1.00 0.00 C +ATOM 1506 H VAL A 91 2.749 -10.506 3.794 1.00 0.00 H +ATOM 1507 HA VAL A 91 5.534 -10.655 3.507 1.00 0.00 H +ATOM 1508 HB VAL A 91 4.426 -10.752 5.723 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 2.603 -12.209 5.220 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 3.513 -12.832 6.603 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 3.694 -13.578 5.011 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 6.743 -11.428 5.577 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 6.267 -13.068 5.157 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 5.908 -12.432 6.764 1.00 0.00 H +ATOM 1515 N LYS A 92 3.994 -13.297 2.413 1.00 0.00 N +ATOM 1516 CA LYS A 92 4.221 -14.496 1.639 1.00 0.00 C +ATOM 1517 C LYS A 92 4.566 -14.219 0.189 1.00 0.00 C +ATOM 1518 O LYS A 92 5.033 -15.103 -0.520 1.00 0.00 O +ATOM 1519 CB LYS A 92 3.105 -15.533 1.801 1.00 0.00 C +ATOM 1520 CG LYS A 92 3.041 -16.146 3.203 1.00 0.00 C +ATOM 1521 CD LYS A 92 4.406 -16.708 3.647 1.00 0.00 C +ATOM 1522 CE LYS A 92 4.925 -17.800 2.715 1.00 0.00 C +ATOM 1523 NZ LYS A 92 6.330 -18.150 3.010 1.00 0.00 N +ATOM 1524 H LYS A 92 3.076 -13.020 2.628 1.00 0.00 H +ATOM 1525 HA LYS A 92 5.127 -14.920 2.048 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 2.158 -15.046 1.613 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 3.241 -16.328 1.085 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 2.736 -15.382 3.902 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 2.315 -16.946 3.202 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 5.134 -15.915 3.710 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 4.282 -17.132 4.632 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 4.315 -18.684 2.828 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 4.863 -17.449 1.696 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 6.587 -19.017 2.499 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 6.505 -18.308 4.023 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 6.956 -17.392 2.646 1.00 0.00 H +ATOM 1537 N ARG A 93 4.369 -13.000 -0.249 1.00 0.00 N +ATOM 1538 CA ARG A 93 4.766 -12.638 -1.584 1.00 0.00 C +ATOM 1539 C ARG A 93 6.180 -12.046 -1.519 1.00 0.00 C +ATOM 1540 O ARG A 93 6.876 -11.923 -2.525 1.00 0.00 O +ATOM 1541 CB ARG A 93 3.766 -11.660 -2.196 1.00 0.00 C +ATOM 1542 CG ARG A 93 3.900 -11.490 -3.702 1.00 0.00 C +ATOM 1543 CD ARG A 93 2.802 -10.595 -4.240 1.00 0.00 C +ATOM 1544 NE ARG A 93 1.463 -11.106 -3.899 1.00 0.00 N +ATOM 1545 CZ ARG A 93 0.395 -10.338 -3.681 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 0.454 -9.039 -3.948 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 -0.737 -10.878 -3.249 1.00 0.00 N +ATOM 1548 H ARG A 93 3.936 -12.333 0.326 1.00 0.00 H +ATOM 1549 HA ARG A 93 4.805 -13.544 -2.169 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 2.765 -12.009 -1.987 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 3.903 -10.695 -1.732 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 4.861 -11.048 -3.922 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 3.829 -12.458 -4.173 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 2.919 -9.608 -3.816 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 2.891 -10.540 -5.315 1.00 0.00 H +ATOM 1556 HE ARG A 93 1.402 -12.084 -3.795 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 1.287 -8.632 -4.327 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 -0.303 -8.400 -3.778 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 -0.824 -11.863 -3.077 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 -1.566 -10.341 -3.064 1.00 0.00 H +ATOM 1561 N ILE A 94 6.584 -11.688 -0.314 1.00 0.00 N +ATOM 1562 CA ILE A 94 7.923 -11.211 -0.046 1.00 0.00 C +ATOM 1563 C ILE A 94 8.857 -12.414 0.124 1.00 0.00 C +ATOM 1564 O ILE A 94 9.920 -12.489 -0.504 1.00 0.00 O +ATOM 1565 CB ILE A 94 7.969 -10.310 1.234 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 7.151 -9.017 1.041 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 9.398 -9.983 1.651 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 7.630 -8.131 -0.096 1.00 0.00 C +ATOM 1569 H ILE A 94 5.942 -11.742 0.425 1.00 0.00 H +ATOM 1570 HA ILE A 94 8.253 -10.635 -0.899 1.00 0.00 H +ATOM 1571 HB ILE A 94 7.522 -10.878 2.038 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 6.122 -9.278 0.841 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 7.192 -8.438 1.953 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 9.929 -10.899 1.861 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 9.374 -9.369 2.539 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 9.895 -9.449 0.854 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 7.027 -7.236 -0.131 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 7.531 -8.659 -1.033 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 8.663 -7.864 0.064 1.00 0.00 H +ATOM 1580 N LEU A 95 8.448 -13.355 0.951 1.00 0.00 N +ATOM 1581 CA LEU A 95 9.223 -14.542 1.191 1.00 0.00 C +ATOM 1582 C LEU A 95 8.490 -15.815 0.745 1.00 0.00 C +ATOM 1583 O LEU A 95 7.723 -16.410 1.514 1.00 0.00 O +ATOM 1584 CB LEU A 95 9.817 -14.571 2.640 1.00 0.00 C +ATOM 1585 CG LEU A 95 8.910 -14.146 3.829 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 7.918 -15.217 4.224 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 9.746 -13.733 5.022 1.00 0.00 C +ATOM 1588 OXT LEU A 95 8.649 -16.195 -0.440 1.00 0.00 O +ATOM 1589 H LEU A 95 7.589 -13.263 1.420 1.00 0.00 H +ATOM 1590 HA LEU A 95 10.046 -14.448 0.497 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 10.149 -15.580 2.836 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 10.691 -13.935 2.645 1.00 0.00 H +ATOM 1593 HG LEU A 95 8.335 -13.285 3.522 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 7.277 -15.437 3.383 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 7.323 -14.876 5.058 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 8.453 -16.111 4.506 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 10.385 -12.905 4.753 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 10.352 -14.570 5.337 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 9.094 -13.439 5.832 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 11 +ATOM 1 N MET A 1 12.294 14.052 -2.632 1.00 0.00 N +ATOM 2 CA MET A 1 11.695 13.744 -3.930 1.00 0.00 C +ATOM 3 C MET A 1 10.383 13.042 -3.707 1.00 0.00 C +ATOM 4 O MET A 1 10.239 12.314 -2.733 1.00 0.00 O +ATOM 5 CB MET A 1 12.632 12.848 -4.757 1.00 0.00 C +ATOM 6 CG MET A 1 12.099 12.457 -6.126 1.00 0.00 C +ATOM 7 SD MET A 1 13.230 11.397 -7.032 1.00 0.00 S +ATOM 8 CE MET A 1 12.270 11.076 -8.509 1.00 0.00 C +ATOM 9 H MET A 1 12.388 13.185 -2.067 1.00 0.00 H +ATOM 10 HA MET A 1 11.516 14.667 -4.460 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.562 13.371 -4.911 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.822 11.944 -4.197 1.00 0.00 H +ATOM 13 HG2 MET A 1 11.164 11.931 -6.000 1.00 0.00 H +ATOM 14 HG3 MET A 1 11.932 13.355 -6.700 1.00 0.00 H +ATOM 15 HE1 MET A 1 12.821 10.414 -9.160 1.00 0.00 H +ATOM 16 HE2 MET A 1 12.073 12.006 -9.020 1.00 0.00 H +ATOM 17 HE3 MET A 1 11.339 10.612 -8.222 1.00 0.00 H +ATOM 18 N ALA A 2 9.433 13.273 -4.583 1.00 0.00 N +ATOM 19 CA ALA A 2 8.167 12.595 -4.518 1.00 0.00 C +ATOM 20 C ALA A 2 8.302 11.294 -5.275 1.00 0.00 C +ATOM 21 O ALA A 2 8.835 11.265 -6.397 1.00 0.00 O +ATOM 22 CB ALA A 2 7.057 13.453 -5.099 1.00 0.00 C +ATOM 23 H ALA A 2 9.599 13.902 -5.317 1.00 0.00 H +ATOM 24 HA ALA A 2 7.954 12.380 -3.480 1.00 0.00 H +ATOM 25 HB1 ALA A 2 6.118 12.924 -5.028 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.277 13.657 -6.135 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.993 14.381 -4.552 1.00 0.00 H +ATOM 28 N TYR A 3 7.855 10.241 -4.677 1.00 0.00 N +ATOM 29 CA TYR A 3 8.033 8.911 -5.225 1.00 0.00 C +ATOM 30 C TYR A 3 6.949 8.567 -6.225 1.00 0.00 C +ATOM 31 O TYR A 3 5.952 9.287 -6.359 1.00 0.00 O +ATOM 32 CB TYR A 3 8.047 7.859 -4.103 1.00 0.00 C +ATOM 33 CG TYR A 3 9.206 7.953 -3.116 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.489 9.132 -2.440 1.00 0.00 C +ATOM 35 CD2 TYR A 3 9.995 6.846 -2.842 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.513 9.212 -1.534 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.019 6.917 -1.919 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.270 8.104 -1.270 1.00 0.00 C +ATOM 39 OH TYR A 3 12.265 8.177 -0.332 1.00 0.00 O +ATOM 40 H TYR A 3 7.375 10.354 -3.829 1.00 0.00 H +ATOM 41 HA TYR A 3 8.990 8.884 -5.722 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.134 7.947 -3.536 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.075 6.879 -4.557 1.00 0.00 H +ATOM 44 HD1 TYR A 3 8.890 10.005 -2.647 1.00 0.00 H +ATOM 45 HD2 TYR A 3 9.796 5.917 -3.355 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.708 10.146 -1.030 1.00 0.00 H +ATOM 47 HE2 TYR A 3 11.624 6.046 -1.716 1.00 0.00 H +ATOM 48 HH TYR A 3 13.051 7.728 -0.692 1.00 0.00 H +ATOM 49 N PHE A 4 7.164 7.485 -6.928 1.00 0.00 N +ATOM 50 CA PHE A 4 6.207 6.951 -7.866 1.00 0.00 C +ATOM 51 C PHE A 4 5.294 5.995 -7.113 1.00 0.00 C +ATOM 52 O PHE A 4 5.648 5.544 -6.031 1.00 0.00 O +ATOM 53 CB PHE A 4 6.936 6.198 -8.994 1.00 0.00 C +ATOM 54 CG PHE A 4 7.837 7.058 -9.838 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.333 7.748 -10.921 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.189 7.172 -9.548 1.00 0.00 C +ATOM 57 CE1 PHE A 4 8.153 8.538 -11.701 1.00 0.00 C +ATOM 58 CE2 PHE A 4 10.014 7.960 -10.320 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.495 8.644 -11.399 1.00 0.00 C +ATOM 60 H PHE A 4 8.015 7.007 -6.801 1.00 0.00 H +ATOM 61 HA PHE A 4 5.636 7.767 -8.282 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.558 5.441 -8.541 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.216 5.713 -9.638 1.00 0.00 H +ATOM 64 HD1 PHE A 4 6.283 7.667 -11.155 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.597 6.637 -8.702 1.00 0.00 H +ATOM 66 HE1 PHE A 4 7.740 9.071 -12.545 1.00 0.00 H +ATOM 67 HE2 PHE A 4 11.064 8.041 -10.082 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.139 9.262 -12.006 1.00 0.00 H +ATOM 69 N LEU A 5 4.149 5.693 -7.654 1.00 0.00 N +ATOM 70 CA LEU A 5 3.226 4.775 -7.004 1.00 0.00 C +ATOM 71 C LEU A 5 2.884 3.670 -8.015 1.00 0.00 C +ATOM 72 O LEU A 5 2.595 3.965 -9.181 1.00 0.00 O +ATOM 73 CB LEU A 5 1.944 5.553 -6.562 1.00 0.00 C +ATOM 74 CG LEU A 5 1.042 4.953 -5.430 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.493 3.589 -5.756 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.767 4.917 -4.101 1.00 0.00 C +ATOM 77 H LEU A 5 3.903 6.091 -8.519 1.00 0.00 H +ATOM 78 HA LEU A 5 3.713 4.343 -6.142 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.253 6.536 -6.241 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.330 5.677 -7.442 1.00 0.00 H +ATOM 81 HG LEU A 5 0.189 5.606 -5.311 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.159 3.647 -6.614 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.048 3.216 -4.897 1.00 0.00 H +ATOM 84 HD13 LEU A 5 1.314 2.920 -5.967 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.030 5.919 -3.796 1.00 0.00 H +ATOM 86 HD22 LEU A 5 2.656 4.314 -4.197 1.00 0.00 H +ATOM 87 HD23 LEU A 5 1.120 4.475 -3.359 1.00 0.00 H +ATOM 88 N ASP A 6 2.946 2.424 -7.600 1.00 0.00 N +ATOM 89 CA ASP A 6 2.604 1.305 -8.480 1.00 0.00 C +ATOM 90 C ASP A 6 1.826 0.279 -7.678 1.00 0.00 C +ATOM 91 O ASP A 6 1.952 0.241 -6.460 1.00 0.00 O +ATOM 92 CB ASP A 6 3.875 0.665 -9.050 1.00 0.00 C +ATOM 93 CG ASP A 6 3.602 -0.217 -10.250 1.00 0.00 C +ATOM 94 OD1 ASP A 6 3.239 0.331 -11.327 1.00 0.00 O +ATOM 95 OD2 ASP A 6 3.780 -1.441 -10.172 1.00 0.00 O +ATOM 96 H ASP A 6 3.229 2.223 -6.676 1.00 0.00 H +ATOM 97 HA ASP A 6 1.989 1.676 -9.285 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.587 1.428 -9.323 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.302 0.047 -8.275 1.00 0.00 H +ATOM 100 N PHE A 7 1.025 -0.524 -8.329 1.00 0.00 N +ATOM 101 CA PHE A 7 0.220 -1.534 -7.641 1.00 0.00 C +ATOM 102 C PHE A 7 0.512 -2.915 -8.193 1.00 0.00 C +ATOM 103 O PHE A 7 0.598 -3.096 -9.412 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.287 -1.286 -7.824 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.858 -0.036 -7.219 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -1.801 1.169 -7.891 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.494 -0.083 -5.993 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.364 2.303 -7.351 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -3.054 1.050 -5.444 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.991 2.245 -6.125 1.00 0.00 C +ATOM 111 H PHE A 7 0.972 -0.470 -9.308 1.00 0.00 H +ATOM 112 HA PHE A 7 0.450 -1.510 -6.586 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.497 -1.238 -8.882 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.821 -2.129 -7.412 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.306 1.216 -8.849 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.545 -1.019 -5.458 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.313 3.239 -7.886 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.545 0.999 -4.484 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.433 3.135 -5.701 1.00 0.00 H +ATOM 120 N ASP A 8 0.670 -3.876 -7.315 1.00 0.00 N +ATOM 121 CA ASP A 8 0.800 -5.287 -7.707 1.00 0.00 C +ATOM 122 C ASP A 8 -0.531 -5.771 -8.284 1.00 0.00 C +ATOM 123 O ASP A 8 -1.572 -5.187 -7.973 1.00 0.00 O +ATOM 124 CB ASP A 8 1.198 -6.156 -6.502 1.00 0.00 C +ATOM 125 CG ASP A 8 1.255 -7.631 -6.839 1.00 0.00 C +ATOM 126 OD1 ASP A 8 2.287 -8.110 -7.369 1.00 0.00 O +ATOM 127 OD2 ASP A 8 0.268 -8.335 -6.602 1.00 0.00 O +ATOM 128 H ASP A 8 0.707 -3.649 -6.358 1.00 0.00 H +ATOM 129 HA ASP A 8 1.560 -5.351 -8.472 1.00 0.00 H +ATOM 130 HB2 ASP A 8 2.173 -5.850 -6.152 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.479 -6.013 -5.710 1.00 0.00 H +ATOM 132 N GLU A 9 -0.505 -6.807 -9.126 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.720 -7.348 -9.733 1.00 0.00 C +ATOM 134 C GLU A 9 -2.779 -7.691 -8.665 1.00 0.00 C +ATOM 135 O GLU A 9 -3.957 -7.396 -8.843 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.426 -8.610 -10.568 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.820 -9.756 -9.766 1.00 0.00 C +ATOM 138 CD GLU A 9 -0.933 -11.073 -10.460 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -2.008 -11.703 -10.386 1.00 0.00 O +ATOM 140 OE2 GLU A 9 0.038 -11.529 -11.081 1.00 0.00 O +ATOM 141 H GLU A 9 0.359 -7.218 -9.350 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.126 -6.588 -10.384 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.349 -8.961 -11.008 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.740 -8.350 -11.360 1.00 0.00 H +ATOM 145 HG2 GLU A 9 0.224 -9.549 -9.587 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -1.336 -9.817 -8.820 1.00 0.00 H +ATOM 147 N ARG A 10 -2.348 -8.266 -7.538 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.265 -8.633 -6.477 1.00 0.00 C +ATOM 149 C ARG A 10 -3.807 -7.406 -5.811 1.00 0.00 C +ATOM 150 O ARG A 10 -4.990 -7.335 -5.512 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.614 -9.580 -5.466 1.00 0.00 C +ATOM 152 CG ARG A 10 -2.465 -11.014 -5.969 1.00 0.00 C +ATOM 153 CD ARG A 10 -3.818 -11.686 -6.105 1.00 0.00 C +ATOM 154 NE ARG A 10 -4.515 -11.766 -4.814 1.00 0.00 N +ATOM 155 CZ ARG A 10 -5.817 -12.039 -4.648 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -6.581 -12.317 -5.697 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -6.334 -12.061 -3.429 1.00 0.00 N +ATOM 158 H ARG A 10 -1.379 -8.414 -7.403 1.00 0.00 H +ATOM 159 HA ARG A 10 -4.097 -9.137 -6.944 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.632 -9.204 -5.223 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.215 -9.597 -4.568 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -1.981 -11.012 -6.933 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -1.876 -11.590 -5.273 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -4.425 -11.129 -6.802 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -3.669 -12.686 -6.479 1.00 0.00 H +ATOM 166 HE ARG A 10 -3.940 -11.605 -4.021 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -6.223 -12.343 -6.633 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -7.557 -12.520 -5.585 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -5.759 -11.877 -2.616 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -7.300 -12.259 -3.238 1.00 0.00 H +ATOM 171 N ALA A 11 -2.957 -6.414 -5.655 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.351 -5.155 -5.070 1.00 0.00 C +ATOM 173 C ALA A 11 -4.397 -4.480 -5.947 1.00 0.00 C +ATOM 174 O ALA A 11 -5.355 -3.934 -5.448 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.151 -4.249 -4.874 1.00 0.00 C +ATOM 176 H ALA A 11 -2.033 -6.545 -5.961 1.00 0.00 H +ATOM 177 HA ALA A 11 -3.790 -5.366 -4.105 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.699 -4.039 -5.832 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.427 -4.734 -4.233 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -2.472 -3.324 -4.421 1.00 0.00 H +ATOM 181 N LEU A 12 -4.224 -4.579 -7.263 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.165 -4.011 -8.215 1.00 0.00 C +ATOM 183 C LEU A 12 -6.496 -4.718 -8.153 1.00 0.00 C +ATOM 184 O LEU A 12 -7.540 -4.082 -8.166 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.612 -4.061 -9.637 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.558 -3.019 -9.998 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -2.993 -3.304 -11.381 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.169 -1.616 -9.962 1.00 0.00 C +ATOM 189 H LEU A 12 -3.434 -5.052 -7.609 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.317 -2.978 -7.942 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.175 -5.038 -9.782 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.440 -3.961 -10.319 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.749 -3.058 -9.283 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -2.531 -4.280 -11.388 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.255 -2.556 -11.631 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -3.792 -3.280 -12.107 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -4.526 -1.388 -8.968 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -5.002 -1.568 -10.646 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -3.424 -0.890 -10.252 1.00 0.00 H +ATOM 200 N LYS A 13 -6.452 -6.025 -8.066 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.651 -6.839 -7.997 1.00 0.00 C +ATOM 202 C LYS A 13 -8.470 -6.499 -6.761 1.00 0.00 C +ATOM 203 O LYS A 13 -9.705 -6.359 -6.832 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.267 -8.314 -8.014 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.670 -8.737 -9.337 1.00 0.00 C +ATOM 206 CD LYS A 13 -5.956 -10.065 -9.250 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.479 -10.487 -10.635 1.00 0.00 C +ATOM 208 NZ LYS A 13 -4.717 -11.755 -10.643 1.00 0.00 N +ATOM 209 H LYS A 13 -5.570 -6.461 -8.050 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.235 -6.624 -8.878 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -6.543 -8.498 -7.233 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.147 -8.912 -7.831 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.457 -8.816 -10.070 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -5.966 -7.980 -9.651 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.110 -9.917 -8.591 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -6.622 -10.806 -8.834 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -6.339 -10.606 -11.277 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -4.853 -9.701 -11.033 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -3.778 -11.671 -10.195 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -4.546 -12.043 -11.627 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -5.246 -12.521 -10.179 1.00 0.00 H +ATOM 222 N GLU A 14 -7.792 -6.354 -5.649 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.419 -5.979 -4.403 1.00 0.00 C +ATOM 224 C GLU A 14 -8.896 -4.509 -4.450 1.00 0.00 C +ATOM 225 O GLU A 14 -9.977 -4.189 -3.992 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.449 -6.232 -3.252 1.00 0.00 C +ATOM 227 CG GLU A 14 -6.998 -7.694 -3.156 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.123 -8.649 -2.829 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -8.778 -9.146 -3.751 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -8.370 -8.909 -1.641 1.00 0.00 O +ATOM 231 H GLU A 14 -6.824 -6.529 -5.645 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.285 -6.612 -4.278 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.574 -5.614 -3.392 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -7.929 -5.961 -2.323 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -6.614 -7.969 -4.127 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.204 -7.808 -2.435 1.00 0.00 H +ATOM 237 N TRP A 15 -8.091 -3.649 -5.053 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.386 -2.212 -5.213 1.00 0.00 C +ATOM 239 C TRP A 15 -9.667 -2.001 -6.039 1.00 0.00 C +ATOM 240 O TRP A 15 -10.511 -1.152 -5.716 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.180 -1.537 -5.902 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.288 -0.063 -6.139 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.738 0.552 -7.270 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.902 0.978 -5.240 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.671 1.913 -7.119 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.160 2.202 -5.883 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.371 0.995 -3.948 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.903 3.426 -5.283 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.114 2.211 -3.355 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.380 3.410 -4.020 1.00 0.00 C +ATOM 251 H TRP A 15 -7.228 -3.978 -5.391 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.517 -1.779 -4.234 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.301 -1.690 -5.292 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.023 -2.019 -6.855 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -8.092 0.025 -8.144 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.948 2.570 -7.797 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.159 0.078 -3.420 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -7.103 4.360 -5.787 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.699 2.247 -2.358 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.162 4.340 -3.516 1.00 0.00 H +ATOM 261 N ARG A 16 -9.806 -2.778 -7.097 1.00 0.00 N +ATOM 262 CA ARG A 16 -10.980 -2.704 -7.960 1.00 0.00 C +ATOM 263 C ARG A 16 -12.190 -3.318 -7.253 1.00 0.00 C +ATOM 264 O ARG A 16 -13.336 -2.957 -7.527 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.710 -3.394 -9.304 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.536 -2.790 -10.071 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.233 -3.548 -11.354 1.00 0.00 C +ATOM 268 NE ARG A 16 -10.284 -3.385 -12.364 1.00 0.00 N +ATOM 269 CZ ARG A 16 -10.338 -4.039 -13.528 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -9.486 -5.023 -13.789 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -11.272 -3.727 -14.420 1.00 0.00 N +ATOM 272 H ARG A 16 -9.078 -3.407 -7.306 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.186 -1.658 -8.133 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.493 -4.437 -9.122 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.593 -3.323 -9.922 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -9.771 -1.766 -10.321 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.663 -2.809 -9.435 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -8.301 -3.184 -11.764 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -9.133 -4.598 -11.124 1.00 0.00 H +ATOM 280 HE ARG A 16 -10.948 -2.689 -12.151 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.772 -5.326 -13.153 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -9.525 -5.528 -14.657 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -11.956 -3.009 -14.255 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -11.312 -4.172 -15.320 1.00 0.00 H +ATOM 285 N LYS A 17 -11.918 -4.241 -6.342 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.944 -4.864 -5.514 1.00 0.00 C +ATOM 287 C LYS A 17 -13.454 -3.849 -4.479 1.00 0.00 C +ATOM 288 O LYS A 17 -14.640 -3.832 -4.139 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.351 -6.082 -4.796 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.313 -6.831 -3.892 1.00 0.00 C +ATOM 291 CD LYS A 17 -12.568 -7.864 -3.069 1.00 0.00 C +ATOM 292 CE LYS A 17 -13.492 -8.625 -2.137 1.00 0.00 C +ATOM 293 NZ LYS A 17 -14.429 -9.511 -2.859 1.00 0.00 N +ATOM 294 H LYS A 17 -10.984 -4.519 -6.219 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.768 -5.183 -6.135 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -11.989 -6.777 -5.537 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.515 -5.747 -4.200 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -13.793 -6.127 -3.230 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -14.059 -7.328 -4.495 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -12.097 -8.566 -3.739 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -11.810 -7.363 -2.485 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -12.899 -9.217 -1.456 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -14.062 -7.896 -1.581 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -15.018 -10.029 -2.175 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -13.903 -10.230 -3.396 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -15.053 -9.003 -3.515 1.00 0.00 H +ATOM 307 N LEU A 18 -12.546 -3.011 -3.993 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.856 -1.980 -3.014 1.00 0.00 C +ATOM 309 C LEU A 18 -13.868 -0.986 -3.523 1.00 0.00 C +ATOM 310 O LEU A 18 -13.986 -0.742 -4.737 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.595 -1.233 -2.574 1.00 0.00 C +ATOM 312 CG LEU A 18 -11.023 -1.578 -1.201 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.671 -3.049 -1.083 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.816 -0.721 -0.930 1.00 0.00 C +ATOM 315 H LEU A 18 -11.617 -3.096 -4.298 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.269 -2.470 -2.145 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.828 -1.420 -3.311 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.820 -0.175 -2.586 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.758 -1.348 -0.443 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -10.273 -3.244 -0.099 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -9.936 -3.304 -1.833 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -11.564 -3.637 -1.236 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.406 -0.962 0.038 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -10.122 0.315 -0.944 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.073 -0.891 -1.695 1.00 0.00 H +ATOM 326 N GLY A 19 -14.584 -0.415 -2.597 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.575 0.563 -2.915 1.00 0.00 C +ATOM 328 C GLY A 19 -14.934 1.867 -3.295 1.00 0.00 C +ATOM 329 O GLY A 19 -13.801 2.152 -2.864 1.00 0.00 O +ATOM 330 H GLY A 19 -14.413 -0.651 -1.663 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.172 0.204 -3.741 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.210 0.717 -2.057 1.00 0.00 H +ATOM 333 N SER A 20 -15.651 2.656 -4.055 1.00 0.00 N +ATOM 334 CA SER A 20 -15.175 3.907 -4.604 1.00 0.00 C +ATOM 335 C SER A 20 -14.662 4.869 -3.530 1.00 0.00 C +ATOM 336 O SER A 20 -13.519 5.292 -3.577 1.00 0.00 O +ATOM 337 CB SER A 20 -16.311 4.512 -5.406 1.00 0.00 C +ATOM 338 OG SER A 20 -17.543 4.300 -4.721 1.00 0.00 O +ATOM 339 H SER A 20 -16.588 2.436 -4.246 1.00 0.00 H +ATOM 340 HA SER A 20 -14.369 3.685 -5.286 1.00 0.00 H +ATOM 341 HB2 SER A 20 -16.149 5.573 -5.516 1.00 0.00 H +ATOM 342 HB3 SER A 20 -16.368 4.045 -6.377 1.00 0.00 H +ATOM 343 HG SER A 20 -18.244 4.723 -5.232 1.00 0.00 H +ATOM 344 N THR A 21 -15.487 5.133 -2.556 1.00 0.00 N +ATOM 345 CA THR A 21 -15.198 6.051 -1.465 1.00 0.00 C +ATOM 346 C THR A 21 -13.928 5.625 -0.712 1.00 0.00 C +ATOM 347 O THR A 21 -13.054 6.449 -0.415 1.00 0.00 O +ATOM 348 CB THR A 21 -16.394 6.062 -0.490 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.612 6.240 -1.241 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.266 7.185 0.532 1.00 0.00 C +ATOM 351 H THR A 21 -16.353 4.681 -2.568 1.00 0.00 H +ATOM 352 HA THR A 21 -15.074 7.045 -1.868 1.00 0.00 H +ATOM 353 HB THR A 21 -16.431 5.112 0.022 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.876 7.161 -1.150 1.00 0.00 H +ATOM 355 HG21 THR A 21 -16.214 8.133 0.019 1.00 0.00 H +ATOM 356 HG22 THR A 21 -15.365 7.040 1.110 1.00 0.00 H +ATOM 357 HG23 THR A 21 -17.123 7.177 1.189 1.00 0.00 H +ATOM 358 N VAL A 22 -13.806 4.331 -0.482 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.692 3.791 0.265 1.00 0.00 C +ATOM 360 C VAL A 22 -11.412 3.942 -0.532 1.00 0.00 C +ATOM 361 O VAL A 22 -10.411 4.453 -0.027 1.00 0.00 O +ATOM 362 CB VAL A 22 -12.913 2.285 0.580 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -11.729 1.699 1.323 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.187 2.078 1.376 1.00 0.00 C +ATOM 365 H VAL A 22 -14.485 3.727 -0.852 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.596 4.331 1.196 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.012 1.761 -0.359 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -11.905 0.649 1.510 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -11.599 2.214 2.263 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -10.837 1.813 0.725 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.104 2.599 2.318 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -14.339 1.025 1.560 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -15.024 2.474 0.823 1.00 0.00 H +ATOM 374 N ARG A 23 -11.460 3.554 -1.784 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.295 3.632 -2.613 1.00 0.00 C +ATOM 376 C ARG A 23 -9.890 5.068 -2.925 1.00 0.00 C +ATOM 377 O ARG A 23 -8.706 5.359 -3.023 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.377 2.776 -3.863 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.546 3.055 -4.770 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.257 2.468 -6.128 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.362 2.616 -7.080 1.00 0.00 N +ATOM 382 CZ ARG A 23 -13.005 1.586 -7.669 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.790 0.328 -7.264 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.882 1.818 -8.641 1.00 0.00 N +ATOM 385 H ARG A 23 -12.311 3.216 -2.145 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.502 3.240 -1.991 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.475 2.916 -4.439 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.434 1.739 -3.562 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.387 2.529 -4.338 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.787 4.109 -4.807 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.391 2.998 -6.501 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -11.010 1.423 -6.011 1.00 0.00 H +ATOM 393 HE ARG A 23 -12.569 3.551 -7.319 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -12.154 0.087 -6.523 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -13.278 -0.442 -7.683 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -14.089 2.747 -8.969 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -14.380 1.087 -9.118 1.00 0.00 H +ATOM 398 N GLU A 24 -10.867 5.960 -3.087 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.568 7.362 -3.340 1.00 0.00 C +ATOM 400 C GLU A 24 -9.762 7.965 -2.215 1.00 0.00 C +ATOM 401 O GLU A 24 -8.751 8.631 -2.462 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.818 8.198 -3.591 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.508 7.905 -4.904 1.00 0.00 C +ATOM 404 CD GLU A 24 -13.527 8.952 -5.260 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -14.629 8.985 -4.656 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -13.246 9.774 -6.160 1.00 0.00 O +ATOM 407 H GLU A 24 -11.808 5.673 -3.045 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.952 7.387 -4.228 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.519 7.954 -2.804 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.568 9.248 -3.549 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -11.766 7.867 -5.688 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -13.003 6.948 -4.830 1.00 0.00 H +ATOM 413 N GLN A 25 -10.162 7.699 -0.983 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.448 8.233 0.145 1.00 0.00 C +ATOM 415 C GLN A 25 -8.088 7.566 0.319 1.00 0.00 C +ATOM 416 O GLN A 25 -7.113 8.217 0.712 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.282 8.239 1.426 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.191 9.469 1.603 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.181 9.701 0.475 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -11.884 10.393 -0.507 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.364 9.185 0.619 1.00 0.00 N +ATOM 422 H GLN A 25 -10.933 7.107 -0.814 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.235 9.257 -0.129 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.895 7.351 1.462 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.586 8.225 2.248 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.757 9.340 2.513 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -10.564 10.343 1.701 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.560 8.685 1.443 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -14.012 9.296 -0.106 1.00 0.00 H +ATOM 430 N LEU A 26 -8.015 6.276 0.006 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.740 5.559 0.025 1.00 0.00 C +ATOM 432 C LEU A 26 -5.783 6.150 -1.003 1.00 0.00 C +ATOM 433 O LEU A 26 -4.608 6.359 -0.711 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.923 4.068 -0.244 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.656 3.256 0.833 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.786 1.820 0.399 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.918 3.331 2.162 1.00 0.00 C +ATOM 438 H LEU A 26 -8.839 5.794 -0.225 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.305 5.693 1.004 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.467 3.984 -1.174 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.943 3.637 -0.388 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.657 3.636 0.972 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.331 1.266 1.149 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -6.802 1.391 0.284 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.315 1.770 -0.541 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -6.904 4.349 2.520 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -5.902 2.991 2.026 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -7.415 2.697 2.882 1.00 0.00 H +ATOM 449 N LYS A 27 -6.297 6.425 -2.205 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.513 7.048 -3.268 1.00 0.00 C +ATOM 451 C LYS A 27 -4.923 8.379 -2.790 1.00 0.00 C +ATOM 452 O LYS A 27 -3.754 8.697 -3.069 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.382 7.307 -4.495 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.601 7.896 -5.659 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.497 8.412 -6.775 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.206 9.694 -6.365 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.026 10.251 -7.457 1.00 0.00 N +ATOM 458 H LYS A 27 -7.230 6.164 -2.398 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.711 6.377 -3.540 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.816 6.369 -4.806 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.173 7.985 -4.214 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.038 8.726 -5.259 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -4.925 7.147 -6.046 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -5.903 8.600 -7.658 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.239 7.660 -6.993 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -7.846 9.489 -5.520 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.457 10.421 -6.079 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -8.510 11.116 -7.137 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -8.765 9.585 -7.761 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -7.430 10.504 -8.271 1.00 0.00 H +ATOM 471 N LYS A 28 -5.742 9.146 -2.087 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.325 10.419 -1.507 1.00 0.00 C +ATOM 473 C LYS A 28 -4.183 10.213 -0.526 1.00 0.00 C +ATOM 474 O LYS A 28 -3.189 10.934 -0.567 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.491 11.116 -0.821 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.603 11.497 -1.761 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.782 12.085 -1.020 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.879 12.425 -1.992 1.00 0.00 C +ATOM 479 NZ LYS A 28 -11.090 12.927 -1.334 1.00 0.00 N +ATOM 480 H LYS A 28 -6.667 8.836 -1.974 1.00 0.00 H +ATOM 481 HA LYS A 28 -4.978 11.039 -2.321 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.894 10.464 -0.060 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.121 12.018 -0.357 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.231 12.229 -2.462 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -7.925 10.617 -2.298 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.151 11.371 -0.298 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.467 12.986 -0.515 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -9.514 13.175 -2.677 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.128 11.530 -2.543 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -11.774 13.212 -2.063 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -10.901 13.749 -0.726 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -11.531 12.165 -0.775 1.00 0.00 H +ATOM 493 N LYS A 29 -4.319 9.209 0.332 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.264 8.857 1.274 1.00 0.00 C +ATOM 495 C LYS A 29 -1.988 8.480 0.571 1.00 0.00 C +ATOM 496 O LYS A 29 -0.906 8.847 1.004 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.695 7.764 2.250 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.127 8.302 3.604 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.330 9.209 3.515 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.565 9.913 4.836 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.458 10.851 5.164 1.00 0.00 N +ATOM 502 H LYS A 29 -5.158 8.699 0.334 1.00 0.00 H +ATOM 503 HA LYS A 29 -3.058 9.750 1.842 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.522 7.219 1.820 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.866 7.087 2.399 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.387 7.474 4.248 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.305 8.851 4.038 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -5.154 9.942 2.743 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.200 8.621 3.266 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.502 10.446 4.813 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.589 9.136 5.589 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -3.582 10.325 5.348 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -4.658 11.423 6.009 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.252 11.511 4.380 1.00 0.00 H +ATOM 515 N LEU A 30 -2.121 7.787 -0.524 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.985 7.388 -1.312 1.00 0.00 C +ATOM 517 C LEU A 30 -0.286 8.592 -1.922 1.00 0.00 C +ATOM 518 O LEU A 30 0.928 8.708 -1.848 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.403 6.417 -2.404 1.00 0.00 C +ATOM 520 CG LEU A 30 -2.010 5.110 -1.933 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.402 4.257 -3.119 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.043 4.370 -1.025 1.00 0.00 C +ATOM 523 H LEU A 30 -3.027 7.514 -0.791 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.290 6.886 -0.655 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.133 6.916 -3.023 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.537 6.192 -3.008 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.908 5.324 -1.368 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -3.111 4.795 -3.730 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -2.852 3.338 -2.776 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -1.524 4.033 -3.704 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -1.474 3.425 -0.737 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -0.871 4.963 -0.139 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.109 4.203 -1.540 1.00 0.00 H +ATOM 534 N VAL A 31 -1.052 9.502 -2.501 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.451 10.647 -3.156 1.00 0.00 C +ATOM 536 C VAL A 31 0.194 11.612 -2.141 1.00 0.00 C +ATOM 537 O VAL A 31 1.272 12.161 -2.400 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.416 11.380 -4.146 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -2.562 12.087 -3.442 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -0.649 12.328 -5.044 1.00 0.00 C +ATOM 541 H VAL A 31 -2.029 9.403 -2.458 1.00 0.00 H +ATOM 542 HA VAL A 31 0.370 10.231 -3.724 1.00 0.00 H +ATOM 543 HB VAL A 31 -1.863 10.625 -4.774 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -2.166 12.855 -2.794 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -3.096 11.364 -2.845 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -3.227 12.526 -4.170 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -0.140 13.056 -4.431 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -1.340 12.834 -5.701 1.00 0.00 H +ATOM 549 HG23 VAL A 31 0.072 11.778 -5.629 1.00 0.00 H +ATOM 550 N GLU A 32 -0.441 11.793 -0.977 1.00 0.00 N +ATOM 551 CA GLU A 32 0.132 12.647 0.046 1.00 0.00 C +ATOM 552 C GLU A 32 1.400 12.015 0.632 1.00 0.00 C +ATOM 553 O GLU A 32 2.427 12.696 0.804 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.870 12.997 1.171 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.431 11.798 1.900 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.175 12.139 3.158 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -1.540 12.180 4.229 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -3.409 12.345 3.116 1.00 0.00 O +ATOM 559 H GLU A 32 -1.308 11.354 -0.813 1.00 0.00 H +ATOM 560 HA GLU A 32 0.425 13.556 -0.460 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.376 13.626 1.897 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.693 13.543 0.735 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -2.113 11.308 1.223 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.619 11.125 2.136 1.00 0.00 H +ATOM 565 N VAL A 33 1.340 10.710 0.882 1.00 0.00 N +ATOM 566 CA VAL A 33 2.424 9.975 1.499 1.00 0.00 C +ATOM 567 C VAL A 33 3.680 9.992 0.627 1.00 0.00 C +ATOM 568 O VAL A 33 4.769 9.966 1.135 1.00 0.00 O +ATOM 569 CB VAL A 33 2.040 8.529 1.949 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.119 7.500 0.828 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.842 8.112 3.166 1.00 0.00 C +ATOM 572 H VAL A 33 0.520 10.212 0.664 1.00 0.00 H +ATOM 573 HA VAL A 33 2.676 10.551 2.379 1.00 0.00 H +ATOM 574 HB VAL A 33 1.001 8.571 2.245 1.00 0.00 H +ATOM 575 HG11 VAL A 33 3.134 7.441 0.465 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.472 7.807 0.019 1.00 0.00 H +ATOM 577 HG13 VAL A 33 1.807 6.534 1.196 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.630 7.084 3.418 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.572 8.745 3.999 1.00 0.00 H +ATOM 580 HG23 VAL A 33 3.892 8.231 2.955 1.00 0.00 H +ATOM 581 N LEU A 34 3.494 10.082 -0.696 1.00 0.00 N +ATOM 582 CA LEU A 34 4.594 10.070 -1.682 1.00 0.00 C +ATOM 583 C LEU A 34 5.683 11.106 -1.395 1.00 0.00 C +ATOM 584 O LEU A 34 6.818 10.928 -1.845 1.00 0.00 O +ATOM 585 CB LEU A 34 4.073 10.289 -3.115 1.00 0.00 C +ATOM 586 CG LEU A 34 3.236 9.168 -3.729 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.738 9.569 -5.109 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.050 7.890 -3.816 1.00 0.00 C +ATOM 589 H LEU A 34 2.572 10.128 -1.025 1.00 0.00 H +ATOM 590 HA LEU A 34 5.049 9.092 -1.641 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.476 11.189 -3.116 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.928 10.455 -3.753 1.00 0.00 H +ATOM 593 HG LEU A 34 2.376 8.981 -3.102 1.00 0.00 H +ATOM 594 HD11 LEU A 34 2.127 8.776 -5.514 1.00 0.00 H +ATOM 595 HD12 LEU A 34 3.584 9.733 -5.761 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.156 10.475 -5.038 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.966 8.081 -4.353 1.00 0.00 H +ATOM 598 HD22 LEU A 34 3.485 7.147 -4.360 1.00 0.00 H +ATOM 599 HD23 LEU A 34 4.274 7.521 -2.826 1.00 0.00 H +ATOM 600 N GLU A 35 5.347 12.194 -0.685 1.00 0.00 N +ATOM 601 CA GLU A 35 6.354 13.206 -0.353 1.00 0.00 C +ATOM 602 C GLU A 35 7.421 12.622 0.608 1.00 0.00 C +ATOM 603 O GLU A 35 8.585 13.013 0.576 1.00 0.00 O +ATOM 604 CB GLU A 35 5.723 14.458 0.278 1.00 0.00 C +ATOM 605 CG GLU A 35 5.110 14.233 1.653 1.00 0.00 C +ATOM 606 CD GLU A 35 4.654 15.507 2.309 1.00 0.00 C +ATOM 607 OE1 GLU A 35 5.495 16.300 2.737 1.00 0.00 O +ATOM 608 OE2 GLU A 35 3.435 15.724 2.451 1.00 0.00 O +ATOM 609 H GLU A 35 4.420 12.301 -0.375 1.00 0.00 H +ATOM 610 HA GLU A 35 6.846 13.481 -1.275 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.486 15.216 0.373 1.00 0.00 H +ATOM 612 HB3 GLU A 35 4.950 14.826 -0.382 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.259 13.576 1.550 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.848 13.762 2.285 1.00 0.00 H +ATOM 615 N SER A 36 7.007 11.677 1.429 1.00 0.00 N +ATOM 616 CA SER A 36 7.858 11.040 2.396 1.00 0.00 C +ATOM 617 C SER A 36 7.211 9.734 2.834 1.00 0.00 C +ATOM 618 O SER A 36 6.608 9.667 3.869 1.00 0.00 O +ATOM 619 CB SER A 36 8.115 11.981 3.599 1.00 0.00 C +ATOM 620 OG SER A 36 8.913 11.357 4.596 1.00 0.00 O +ATOM 621 H SER A 36 6.078 11.360 1.374 1.00 0.00 H +ATOM 622 HA SER A 36 8.797 10.782 1.937 1.00 0.00 H +ATOM 623 HB2 SER A 36 8.625 12.868 3.255 1.00 0.00 H +ATOM 624 HB3 SER A 36 7.168 12.259 4.036 1.00 0.00 H +ATOM 625 HG SER A 36 8.245 10.994 5.193 1.00 0.00 H +ATOM 626 N PRO A 37 7.265 8.691 1.993 1.00 0.00 N +ATOM 627 CA PRO A 37 6.606 7.430 2.287 1.00 0.00 C +ATOM 628 C PRO A 37 7.410 6.490 3.184 1.00 0.00 C +ATOM 629 O PRO A 37 6.877 5.502 3.677 1.00 0.00 O +ATOM 630 CB PRO A 37 6.380 6.837 0.908 1.00 0.00 C +ATOM 631 CG PRO A 37 7.523 7.339 0.100 1.00 0.00 C +ATOM 632 CD PRO A 37 7.882 8.687 0.657 1.00 0.00 C +ATOM 633 HA PRO A 37 5.651 7.595 2.759 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.367 5.760 0.966 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.440 7.192 0.510 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.361 6.666 0.196 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.234 7.428 -0.937 1.00 0.00 H +ATOM 638 HD2 PRO A 37 8.954 8.808 0.724 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.444 9.461 0.042 1.00 0.00 H +ATOM 640 N ARG A 38 8.671 6.814 3.435 1.00 0.00 N +ATOM 641 CA ARG A 38 9.524 5.980 4.293 1.00 0.00 C +ATOM 642 C ARG A 38 9.260 6.238 5.791 1.00 0.00 C +ATOM 643 O ARG A 38 10.161 6.205 6.610 1.00 0.00 O +ATOM 644 CB ARG A 38 11.033 6.117 3.896 1.00 0.00 C +ATOM 645 CG ARG A 38 11.609 7.546 3.755 1.00 0.00 C +ATOM 646 CD ARG A 38 11.828 8.274 5.088 1.00 0.00 C +ATOM 647 NE ARG A 38 12.821 7.608 5.967 1.00 0.00 N +ATOM 648 CZ ARG A 38 12.813 7.680 7.319 1.00 0.00 C +ATOM 649 NH1 ARG A 38 11.891 8.391 7.942 1.00 0.00 N +ATOM 650 NH2 ARG A 38 13.730 7.053 8.030 1.00 0.00 N +ATOM 651 H ARG A 38 9.021 7.637 3.037 1.00 0.00 H +ATOM 652 HA ARG A 38 9.210 4.964 4.103 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.621 5.609 4.645 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.172 5.603 2.955 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.550 7.489 3.231 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.921 8.122 3.152 1.00 0.00 H +ATOM 657 HD2 ARG A 38 12.165 9.281 4.887 1.00 0.00 H +ATOM 658 HD3 ARG A 38 10.881 8.314 5.603 1.00 0.00 H +ATOM 659 HE ARG A 38 13.520 7.090 5.508 1.00 0.00 H +ATOM 660 HH11 ARG A 38 11.177 8.885 7.443 1.00 0.00 H +ATOM 661 HH12 ARG A 38 11.875 8.500 8.942 1.00 0.00 H +ATOM 662 HH21 ARG A 38 14.473 6.527 7.608 1.00 0.00 H +ATOM 663 HH22 ARG A 38 13.683 7.047 9.038 1.00 0.00 H +ATOM 664 N ILE A 39 7.998 6.338 6.141 1.00 0.00 N +ATOM 665 CA ILE A 39 7.589 6.695 7.483 1.00 0.00 C +ATOM 666 C ILE A 39 7.643 5.485 8.383 1.00 0.00 C +ATOM 667 O ILE A 39 6.767 4.628 8.366 1.00 0.00 O +ATOM 668 CB ILE A 39 6.168 7.311 7.492 1.00 0.00 C +ATOM 669 CG1 ILE A 39 6.169 8.558 6.623 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.727 7.651 8.918 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.814 9.181 6.401 1.00 0.00 C +ATOM 672 H ILE A 39 7.317 6.140 5.461 1.00 0.00 H +ATOM 673 HA ILE A 39 8.288 7.430 7.848 1.00 0.00 H +ATOM 674 HB ILE A 39 5.474 6.597 7.075 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.791 9.306 7.090 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.586 8.311 5.658 1.00 0.00 H +ATOM 677 HG21 ILE A 39 6.419 8.366 9.337 1.00 0.00 H +ATOM 678 HG22 ILE A 39 5.727 6.753 9.518 1.00 0.00 H +ATOM 679 HG23 ILE A 39 4.734 8.074 8.900 1.00 0.00 H +ATOM 680 HD11 ILE A 39 4.397 9.484 7.348 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.168 8.465 5.914 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.945 10.042 5.759 1.00 0.00 H +ATOM 683 N GLU A 40 8.699 5.442 9.151 1.00 0.00 N +ATOM 684 CA GLU A 40 9.024 4.348 10.042 1.00 0.00 C +ATOM 685 C GLU A 40 7.960 4.089 11.107 1.00 0.00 C +ATOM 686 O GLU A 40 7.809 2.965 11.569 1.00 0.00 O +ATOM 687 CB GLU A 40 10.426 4.546 10.619 1.00 0.00 C +ATOM 688 CG GLU A 40 10.681 5.926 11.200 1.00 0.00 C +ATOM 689 CD GLU A 40 12.134 6.151 11.494 1.00 0.00 C +ATOM 690 OE1 GLU A 40 12.898 6.455 10.551 1.00 0.00 O +ATOM 691 OE2 GLU A 40 12.544 6.034 12.656 1.00 0.00 O +ATOM 692 H GLU A 40 9.308 6.209 9.104 1.00 0.00 H +ATOM 693 HA GLU A 40 9.051 3.467 9.419 1.00 0.00 H +ATOM 694 HB2 GLU A 40 10.582 3.820 11.403 1.00 0.00 H +ATOM 695 HB3 GLU A 40 11.145 4.370 9.834 1.00 0.00 H +ATOM 696 HG2 GLU A 40 10.354 6.677 10.497 1.00 0.00 H +ATOM 697 HG3 GLU A 40 10.121 6.027 12.118 1.00 0.00 H +ATOM 698 N ALA A 41 7.183 5.109 11.447 1.00 0.00 N +ATOM 699 CA ALA A 41 6.071 4.951 12.384 1.00 0.00 C +ATOM 700 C ALA A 41 4.950 4.102 11.763 1.00 0.00 C +ATOM 701 O ALA A 41 4.059 3.612 12.466 1.00 0.00 O +ATOM 702 CB ALA A 41 5.528 6.308 12.807 1.00 0.00 C +ATOM 703 H ALA A 41 7.381 6.001 11.088 1.00 0.00 H +ATOM 704 HA ALA A 41 6.448 4.441 13.257 1.00 0.00 H +ATOM 705 HB1 ALA A 41 4.734 6.171 13.525 1.00 0.00 H +ATOM 706 HB2 ALA A 41 5.144 6.828 11.942 1.00 0.00 H +ATOM 707 HB3 ALA A 41 6.320 6.890 13.255 1.00 0.00 H +ATOM 708 N ASN A 42 5.008 3.931 10.451 1.00 0.00 N +ATOM 709 CA ASN A 42 4.018 3.158 9.714 1.00 0.00 C +ATOM 710 C ASN A 42 4.650 1.913 9.129 1.00 0.00 C +ATOM 711 O ASN A 42 4.034 1.231 8.324 1.00 0.00 O +ATOM 712 CB ASN A 42 3.411 3.978 8.547 1.00 0.00 C +ATOM 713 CG ASN A 42 2.625 5.202 8.972 1.00 0.00 C +ATOM 714 OD1 ASN A 42 2.051 5.250 10.058 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.556 6.185 8.108 1.00 0.00 N +ATOM 716 H ASN A 42 5.750 4.326 9.942 1.00 0.00 H +ATOM 717 HA ASN A 42 3.223 2.867 10.384 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.213 4.310 7.906 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.758 3.331 7.977 1.00 0.00 H +ATOM 720 HD21 ASN A 42 3.008 6.088 7.242 1.00 0.00 H +ATOM 721 HD22 ASN A 42 2.039 6.983 8.348 1.00 0.00 H +ATOM 722 N LYS A 43 5.863 1.604 9.541 1.00 0.00 N +ATOM 723 CA LYS A 43 6.593 0.509 9.004 1.00 0.00 C +ATOM 724 C LYS A 43 6.161 -0.823 9.621 1.00 0.00 C +ATOM 725 O LYS A 43 5.807 -0.891 10.799 1.00 0.00 O +ATOM 726 CB LYS A 43 8.076 0.765 9.236 1.00 0.00 C +ATOM 727 CG LYS A 43 8.936 -0.381 8.877 1.00 0.00 C +ATOM 728 CD LYS A 43 10.400 -0.107 9.126 1.00 0.00 C +ATOM 729 CE LYS A 43 11.233 -1.347 8.850 1.00 0.00 C +ATOM 730 NZ LYS A 43 10.865 -2.474 9.744 1.00 0.00 N +ATOM 731 H LYS A 43 6.334 2.086 10.251 1.00 0.00 H +ATOM 732 HA LYS A 43 6.426 0.481 7.937 1.00 0.00 H +ATOM 733 HB2 LYS A 43 8.374 1.605 8.629 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.230 1.001 10.278 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.583 -1.171 9.520 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.744 -0.614 7.842 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.726 0.690 8.474 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.536 0.188 10.155 1.00 0.00 H +ATOM 739 HE2 LYS A 43 11.064 -1.649 7.827 1.00 0.00 H +ATOM 740 HE3 LYS A 43 12.277 -1.111 8.987 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 9.880 -2.783 9.598 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 10.953 -2.211 10.746 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 11.480 -3.293 9.570 1.00 0.00 H +ATOM 744 N LEU A 44 6.174 -1.854 8.809 1.00 0.00 N +ATOM 745 CA LEU A 44 5.882 -3.199 9.248 1.00 0.00 C +ATOM 746 C LEU A 44 7.152 -3.851 9.761 1.00 0.00 C +ATOM 747 O LEU A 44 8.262 -3.528 9.299 1.00 0.00 O +ATOM 748 CB LEU A 44 5.313 -4.050 8.107 1.00 0.00 C +ATOM 749 CG LEU A 44 3.943 -3.667 7.556 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.556 -4.602 6.435 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.901 -3.738 8.638 1.00 0.00 C +ATOM 752 H LEU A 44 6.409 -1.693 7.867 1.00 0.00 H +ATOM 753 HA LEU A 44 5.159 -3.142 10.046 1.00 0.00 H +ATOM 754 HB2 LEU A 44 6.014 -3.992 7.289 1.00 0.00 H +ATOM 755 HB3 LEU A 44 5.269 -5.075 8.444 1.00 0.00 H +ATOM 756 HG LEU A 44 3.973 -2.657 7.174 1.00 0.00 H +ATOM 757 HD11 LEU A 44 2.589 -4.317 6.047 1.00 0.00 H +ATOM 758 HD12 LEU A 44 3.503 -5.612 6.814 1.00 0.00 H +ATOM 759 HD13 LEU A 44 4.290 -4.552 5.645 1.00 0.00 H +ATOM 760 HD21 LEU A 44 3.154 -3.040 9.422 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.876 -4.743 9.032 1.00 0.00 H +ATOM 762 HD23 LEU A 44 1.943 -3.482 8.213 1.00 0.00 H +ATOM 763 N ARG A 45 7.001 -4.753 10.686 1.00 0.00 N +ATOM 764 CA ARG A 45 8.106 -5.446 11.264 1.00 0.00 C +ATOM 765 C ARG A 45 8.329 -6.779 10.551 1.00 0.00 C +ATOM 766 O ARG A 45 7.388 -7.544 10.344 1.00 0.00 O +ATOM 767 CB ARG A 45 7.850 -5.641 12.758 1.00 0.00 C +ATOM 768 CG ARG A 45 6.641 -6.503 13.101 1.00 0.00 C +ATOM 769 CD ARG A 45 6.315 -6.428 14.575 1.00 0.00 C +ATOM 770 NE ARG A 45 5.890 -5.075 14.964 1.00 0.00 N +ATOM 771 CZ ARG A 45 5.687 -4.659 16.213 1.00 0.00 C +ATOM 772 NH1 ARG A 45 5.895 -5.481 17.238 1.00 0.00 N +ATOM 773 NH2 ARG A 45 5.277 -3.414 16.435 1.00 0.00 N +ATOM 774 H ARG A 45 6.104 -4.973 11.016 1.00 0.00 H +ATOM 775 HA ARG A 45 8.984 -4.831 11.140 1.00 0.00 H +ATOM 776 HB2 ARG A 45 8.719 -6.111 13.184 1.00 0.00 H +ATOM 777 HB3 ARG A 45 7.714 -4.670 13.213 1.00 0.00 H +ATOM 778 HG2 ARG A 45 5.790 -6.164 12.532 1.00 0.00 H +ATOM 779 HG3 ARG A 45 6.862 -7.525 12.836 1.00 0.00 H +ATOM 780 HD2 ARG A 45 5.523 -7.128 14.795 1.00 0.00 H +ATOM 781 HD3 ARG A 45 7.195 -6.692 15.143 1.00 0.00 H +ATOM 782 HE ARG A 45 5.735 -4.447 14.221 1.00 0.00 H +ATOM 783 HH11 ARG A 45 6.204 -6.429 17.112 1.00 0.00 H +ATOM 784 HH12 ARG A 45 5.754 -5.181 18.183 1.00 0.00 H +ATOM 785 HH21 ARG A 45 5.114 -2.781 15.669 1.00 0.00 H +ATOM 786 HH22 ARG A 45 5.107 -3.063 17.361 1.00 0.00 H +ATOM 787 N GLY A 46 9.547 -7.013 10.113 1.00 0.00 N +ATOM 788 CA GLY A 46 9.886 -8.273 9.456 1.00 0.00 C +ATOM 789 C GLY A 46 9.426 -8.313 8.017 1.00 0.00 C +ATOM 790 O GLY A 46 9.414 -9.368 7.376 1.00 0.00 O +ATOM 791 H GLY A 46 10.236 -6.321 10.224 1.00 0.00 H +ATOM 792 HA2 GLY A 46 10.959 -8.399 9.481 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.422 -9.085 9.996 1.00 0.00 H +ATOM 794 N MET A 47 9.048 -7.171 7.515 1.00 0.00 N +ATOM 795 CA MET A 47 8.576 -7.038 6.164 1.00 0.00 C +ATOM 796 C MET A 47 9.461 -6.044 5.463 1.00 0.00 C +ATOM 797 O MET A 47 9.559 -4.888 5.905 1.00 0.00 O +ATOM 798 CB MET A 47 7.131 -6.561 6.145 1.00 0.00 C +ATOM 799 CG MET A 47 6.150 -7.517 6.821 1.00 0.00 C +ATOM 800 SD MET A 47 5.965 -9.094 5.952 1.00 0.00 S +ATOM 801 CE MET A 47 5.107 -8.557 4.469 1.00 0.00 C +ATOM 802 H MET A 47 9.121 -6.375 8.083 1.00 0.00 H +ATOM 803 HA MET A 47 8.649 -8.006 5.689 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.107 -5.605 6.644 1.00 0.00 H +ATOM 805 HB3 MET A 47 6.829 -6.421 5.118 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.499 -7.717 7.823 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.187 -7.032 6.862 1.00 0.00 H +ATOM 808 HE1 MET A 47 4.907 -9.414 3.842 1.00 0.00 H +ATOM 809 HE2 MET A 47 5.717 -7.850 3.928 1.00 0.00 H +ATOM 810 HE3 MET A 47 4.171 -8.093 4.745 1.00 0.00 H +ATOM 811 N PRO A 48 10.129 -6.466 4.385 1.00 0.00 N +ATOM 812 CA PRO A 48 11.106 -5.638 3.671 1.00 0.00 C +ATOM 813 C PRO A 48 10.512 -4.345 3.096 1.00 0.00 C +ATOM 814 O PRO A 48 9.775 -4.371 2.092 1.00 0.00 O +ATOM 815 CB PRO A 48 11.623 -6.553 2.549 1.00 0.00 C +ATOM 816 CG PRO A 48 10.582 -7.610 2.401 1.00 0.00 C +ATOM 817 CD PRO A 48 9.977 -7.792 3.760 1.00 0.00 C +ATOM 818 HA PRO A 48 11.924 -5.377 4.324 1.00 0.00 H +ATOM 819 HB2 PRO A 48 11.735 -5.978 1.642 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.575 -6.976 2.832 1.00 0.00 H +ATOM 821 HG2 PRO A 48 9.829 -7.288 1.698 1.00 0.00 H +ATOM 822 HG3 PRO A 48 11.036 -8.533 2.066 1.00 0.00 H +ATOM 823 HD2 PRO A 48 8.932 -8.054 3.674 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.515 -8.543 4.320 1.00 0.00 H +ATOM 825 N ASP A 49 10.754 -3.243 3.818 1.00 0.00 N +ATOM 826 CA ASP A 49 10.381 -1.877 3.402 1.00 0.00 C +ATOM 827 C ASP A 49 8.889 -1.725 3.254 1.00 0.00 C +ATOM 828 O ASP A 49 8.424 -0.904 2.471 1.00 0.00 O +ATOM 829 CB ASP A 49 11.079 -1.462 2.081 1.00 0.00 C +ATOM 830 CG ASP A 49 12.563 -1.231 2.220 1.00 0.00 C +ATOM 831 OD1 ASP A 49 13.339 -2.212 2.192 1.00 0.00 O +ATOM 832 OD2 ASP A 49 12.997 -0.059 2.362 1.00 0.00 O +ATOM 833 H ASP A 49 11.179 -3.371 4.694 1.00 0.00 H +ATOM 834 HA ASP A 49 10.709 -1.206 4.181 1.00 0.00 H +ATOM 835 HB2 ASP A 49 10.934 -2.244 1.349 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.621 -0.556 1.713 1.00 0.00 H +ATOM 837 N CYS A 50 8.128 -2.451 4.041 1.00 0.00 N +ATOM 838 CA CYS A 50 6.708 -2.379 3.916 1.00 0.00 C +ATOM 839 C CYS A 50 6.143 -1.468 4.992 1.00 0.00 C +ATOM 840 O CYS A 50 6.624 -1.456 6.134 1.00 0.00 O +ATOM 841 CB CYS A 50 6.111 -3.773 4.002 1.00 0.00 C +ATOM 842 SG CYS A 50 6.812 -4.948 2.812 1.00 0.00 S +ATOM 843 H CYS A 50 8.517 -3.028 4.733 1.00 0.00 H +ATOM 844 HA CYS A 50 6.476 -1.958 2.951 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.286 -4.167 4.992 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.048 -3.713 3.819 1.00 0.00 H +ATOM 847 HG CYS A 50 8.035 -4.521 2.511 1.00 0.00 H +ATOM 848 N TYR A 51 5.149 -0.710 4.619 1.00 0.00 N +ATOM 849 CA TYR A 51 4.515 0.265 5.462 1.00 0.00 C +ATOM 850 C TYR A 51 3.014 0.133 5.258 1.00 0.00 C +ATOM 851 O TYR A 51 2.580 -0.378 4.210 1.00 0.00 O +ATOM 852 CB TYR A 51 4.970 1.694 5.064 1.00 0.00 C +ATOM 853 CG TYR A 51 6.480 1.936 5.111 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.300 1.565 4.056 1.00 0.00 C +ATOM 855 CD2 TYR A 51 7.074 2.531 6.202 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.666 1.777 4.096 1.00 0.00 C +ATOM 857 CE2 TYR A 51 8.440 2.748 6.248 1.00 0.00 C +ATOM 858 CZ TYR A 51 9.228 2.367 5.192 1.00 0.00 C +ATOM 859 OH TYR A 51 10.594 2.586 5.236 1.00 0.00 O +ATOM 860 H TYR A 51 4.797 -0.796 3.703 1.00 0.00 H +ATOM 861 HA TYR A 51 4.773 0.072 6.493 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.643 1.890 4.055 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.495 2.405 5.725 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.856 1.094 3.192 1.00 0.00 H +ATOM 865 HD2 TYR A 51 6.455 2.832 7.036 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.285 1.478 3.262 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.884 3.215 7.115 1.00 0.00 H +ATOM 868 HH TYR A 51 10.913 2.728 4.334 1.00 0.00 H +ATOM 869 N LYS A 52 2.226 0.559 6.223 1.00 0.00 N +ATOM 870 CA LYS A 52 0.785 0.440 6.106 1.00 0.00 C +ATOM 871 C LYS A 52 0.059 1.724 6.494 1.00 0.00 C +ATOM 872 O LYS A 52 0.443 2.426 7.449 1.00 0.00 O +ATOM 873 CB LYS A 52 0.215 -0.782 6.908 1.00 0.00 C +ATOM 874 CG LYS A 52 0.198 -0.696 8.464 1.00 0.00 C +ATOM 875 CD LYS A 52 1.584 -0.531 9.073 1.00 0.00 C +ATOM 876 CE LYS A 52 1.592 -0.732 10.590 1.00 0.00 C +ATOM 877 NZ LYS A 52 0.703 0.203 11.315 1.00 0.00 N +ATOM 878 H LYS A 52 2.622 0.970 7.022 1.00 0.00 H +ATOM 879 HA LYS A 52 0.584 0.267 5.058 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.805 -0.944 6.592 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.790 -1.651 6.629 1.00 0.00 H +ATOM 882 HG2 LYS A 52 -0.403 0.152 8.758 1.00 0.00 H +ATOM 883 HG3 LYS A 52 -0.255 -1.597 8.854 1.00 0.00 H +ATOM 884 HD2 LYS A 52 2.250 -1.249 8.622 1.00 0.00 H +ATOM 885 HD3 LYS A 52 1.941 0.464 8.850 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.278 -1.741 10.808 1.00 0.00 H +ATOM 887 HE3 LYS A 52 2.605 -0.598 10.942 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 0.933 1.189 11.091 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 0.853 0.088 12.340 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 -0.305 0.035 11.133 1.00 0.00 H +ATOM 891 N ILE A 53 -0.970 2.032 5.746 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.836 3.150 6.036 1.00 0.00 C +ATOM 893 C ILE A 53 -3.213 2.596 6.331 1.00 0.00 C +ATOM 894 O ILE A 53 -3.629 1.602 5.716 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.921 4.187 4.859 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.528 4.744 4.527 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -2.882 5.340 5.207 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.521 5.766 3.401 1.00 0.00 C +ATOM 899 H ILE A 53 -1.171 1.471 4.962 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.459 3.634 6.923 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.311 3.677 3.992 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.121 5.222 5.407 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.119 3.927 4.240 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -2.924 6.041 4.386 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.538 5.859 6.090 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.873 4.956 5.393 1.00 0.00 H +ATOM 907 HD11 ILE A 53 -0.938 5.324 2.508 1.00 0.00 H +ATOM 908 HD12 ILE A 53 0.495 6.078 3.207 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -1.112 6.623 3.688 1.00 0.00 H +ATOM 910 N LYS A 54 -3.889 3.175 7.290 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.186 2.762 7.629 1.00 0.00 C +ATOM 912 C LYS A 54 -6.117 3.882 7.271 1.00 0.00 C +ATOM 913 O LYS A 54 -5.772 5.055 7.417 1.00 0.00 O +ATOM 914 CB LYS A 54 -5.340 2.503 9.125 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.246 1.674 9.827 1.00 0.00 C +ATOM 916 CD LYS A 54 -2.982 2.489 10.120 1.00 0.00 C +ATOM 917 CE LYS A 54 -3.274 3.656 11.068 1.00 0.00 C +ATOM 918 NZ LYS A 54 -2.077 4.469 11.347 1.00 0.00 N +ATOM 919 H LYS A 54 -3.546 3.936 7.794 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.438 1.866 7.081 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.485 3.451 9.616 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -6.268 1.972 9.204 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.635 1.306 10.764 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -3.988 0.838 9.195 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -2.240 1.842 10.563 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -2.614 2.880 9.184 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -4.017 4.303 10.624 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -3.656 3.261 11.997 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -2.311 5.263 11.975 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -1.690 4.883 10.475 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -1.331 3.903 11.797 1.00 0.00 H +ATOM 932 N LEU A 55 -7.267 3.541 6.829 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.251 4.516 6.474 1.00 0.00 C +ATOM 934 C LEU A 55 -9.198 4.637 7.647 1.00 0.00 C +ATOM 935 O LEU A 55 -9.855 3.657 8.012 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.009 4.069 5.216 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.820 5.143 4.488 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -8.912 6.229 3.987 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -10.581 4.529 3.334 1.00 0.00 C +ATOM 940 H LEU A 55 -7.444 2.578 6.755 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.757 5.458 6.297 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.287 3.670 4.521 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.684 3.273 5.497 1.00 0.00 H +ATOM 944 HG LEU A 55 -10.534 5.637 5.127 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -8.299 6.612 4.791 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -9.546 7.027 3.640 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -8.295 5.861 3.182 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -9.888 4.062 2.652 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -11.128 5.303 2.815 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -11.268 3.789 3.714 1.00 0.00 H +ATOM 951 N ARG A 56 -9.277 5.808 8.233 1.00 0.00 N +ATOM 952 CA ARG A 56 -10.095 6.022 9.427 1.00 0.00 C +ATOM 953 C ARG A 56 -11.562 5.967 9.075 1.00 0.00 C +ATOM 954 O ARG A 56 -12.388 5.467 9.848 1.00 0.00 O +ATOM 955 CB ARG A 56 -9.780 7.377 10.072 1.00 0.00 C +ATOM 956 CG ARG A 56 -8.332 7.570 10.486 1.00 0.00 C +ATOM 957 CD ARG A 56 -7.860 6.515 11.486 1.00 0.00 C +ATOM 958 NE ARG A 56 -8.659 6.484 12.735 1.00 0.00 N +ATOM 959 CZ ARG A 56 -8.147 6.655 13.965 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -6.931 7.172 14.119 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -8.871 6.375 15.043 1.00 0.00 N +ATOM 962 H ARG A 56 -8.797 6.570 7.837 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.880 5.239 10.137 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -10.032 8.159 9.373 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -10.399 7.490 10.950 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -7.714 7.505 9.603 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -8.221 8.550 10.927 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -7.918 5.547 11.013 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -6.829 6.713 11.734 1.00 0.00 H +ATOM 970 HE ARG A 56 -9.604 6.229 12.618 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -6.364 7.454 13.340 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -6.539 7.303 15.034 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -9.815 6.036 15.000 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -8.469 6.477 15.957 1.00 0.00 H +ATOM 975 N SER A 57 -11.858 6.446 7.894 1.00 0.00 N +ATOM 976 CA SER A 57 -13.198 6.540 7.380 1.00 0.00 C +ATOM 977 C SER A 57 -13.869 5.167 7.246 1.00 0.00 C +ATOM 978 O SER A 57 -15.040 5.007 7.602 1.00 0.00 O +ATOM 979 CB SER A 57 -13.143 7.235 6.024 1.00 0.00 C +ATOM 980 OG SER A 57 -12.358 8.421 6.114 1.00 0.00 O +ATOM 981 H SER A 57 -11.132 6.796 7.336 1.00 0.00 H +ATOM 982 HA SER A 57 -13.780 7.159 8.045 1.00 0.00 H +ATOM 983 HB2 SER A 57 -12.694 6.572 5.299 1.00 0.00 H +ATOM 984 HB3 SER A 57 -14.141 7.501 5.710 1.00 0.00 H +ATOM 985 HG SER A 57 -12.966 9.162 6.001 1.00 0.00 H +ATOM 986 N SER A 58 -13.121 4.166 6.814 1.00 0.00 N +ATOM 987 CA SER A 58 -13.740 2.888 6.521 1.00 0.00 C +ATOM 988 C SER A 58 -13.111 1.693 7.273 1.00 0.00 C +ATOM 989 O SER A 58 -13.680 0.603 7.278 1.00 0.00 O +ATOM 990 CB SER A 58 -13.702 2.669 5.018 1.00 0.00 C +ATOM 991 OG SER A 58 -14.212 3.808 4.339 1.00 0.00 O +ATOM 992 H SER A 58 -12.163 4.307 6.680 1.00 0.00 H +ATOM 993 HA SER A 58 -14.777 2.964 6.809 1.00 0.00 H +ATOM 994 HB2 SER A 58 -12.682 2.504 4.707 1.00 0.00 H +ATOM 995 HB3 SER A 58 -14.305 1.810 4.760 1.00 0.00 H +ATOM 996 HG SER A 58 -15.164 3.850 4.478 1.00 0.00 H +ATOM 997 N GLY A 59 -11.954 1.882 7.890 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.327 0.787 8.628 1.00 0.00 C +ATOM 999 C GLY A 59 -10.506 -0.126 7.729 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.226 -1.272 8.068 1.00 0.00 O +ATOM 1001 H GLY A 59 -11.501 2.751 7.885 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.683 1.202 9.390 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -12.099 0.204 9.107 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.110 0.377 6.592 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.332 -0.408 5.658 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.851 -0.185 5.867 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.445 0.829 6.434 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.741 -0.121 4.203 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.062 -0.759 3.784 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.264 -0.389 4.369 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.096 -1.727 2.790 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.458 -0.964 3.985 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.287 -2.307 2.398 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.465 -1.921 3.000 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.652 -2.508 2.622 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.316 1.310 6.381 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.543 -1.445 5.875 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -9.835 0.947 4.069 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -8.967 -0.491 3.546 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.259 0.363 5.145 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.173 -2.030 2.317 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.381 -0.659 4.456 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.292 -3.060 1.623 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.330 -1.842 2.454 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.068 -1.144 5.446 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.628 -1.102 5.541 1.00 0.00 C +ATOM 1027 C ARG A 61 -5.039 -1.240 4.154 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.576 -1.970 3.311 1.00 0.00 O +ATOM 1029 CB ARG A 61 -5.055 -2.246 6.408 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.179 -2.126 7.931 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.601 -2.223 8.461 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.582 -2.370 9.926 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -7.643 -2.332 10.750 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -8.862 -2.070 10.293 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.465 -2.539 12.049 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.463 -1.921 4.993 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.334 -0.154 5.965 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.558 -3.159 6.124 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -4.008 -2.355 6.163 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.602 -2.919 8.384 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -4.755 -1.178 8.229 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -7.138 -1.323 8.197 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -7.088 -3.083 8.027 1.00 0.00 H +ATOM 1044 HE ARG A 61 -5.684 -2.538 10.291 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -9.079 -1.892 9.327 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -9.656 -2.031 10.907 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -6.565 -2.726 12.449 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -8.239 -2.513 12.686 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.974 -0.555 3.915 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.275 -0.654 2.672 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.799 -0.848 2.990 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.227 -0.087 3.774 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.553 0.608 1.818 1.00 0.00 C +ATOM 1054 CG LEU A 62 -3.054 0.614 0.357 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.742 1.710 -0.420 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.561 0.835 0.286 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.631 0.069 4.595 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.639 -1.531 2.156 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.622 0.762 1.797 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.106 1.448 2.327 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.286 -0.333 -0.110 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -4.808 1.539 -0.413 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.382 1.692 -1.438 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.526 2.666 0.033 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.246 0.894 -0.745 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.055 0.012 0.769 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.326 1.755 0.798 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.205 -1.873 2.411 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.181 -2.219 2.663 1.00 0.00 C +ATOM 1070 C VAL A 63 1.001 -2.052 1.388 1.00 0.00 C +ATOM 1071 O VAL A 63 0.671 -2.627 0.331 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.316 -3.685 3.178 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.774 -4.053 3.415 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.490 -3.887 4.455 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.696 -2.416 1.753 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.565 -1.549 3.420 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.078 -4.345 2.419 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 1.837 -5.068 3.777 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.194 -3.385 4.152 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 2.323 -3.963 2.489 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -1.531 -3.677 4.258 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.126 -3.213 5.216 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -0.386 -4.906 4.796 1.00 0.00 H +ATOM 1084 N TYR A 64 2.049 -1.289 1.478 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.909 -1.030 0.352 1.00 0.00 C +ATOM 1086 C TYR A 64 4.354 -1.103 0.772 1.00 0.00 C +ATOM 1087 O TYR A 64 4.657 -1.000 1.947 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.595 0.347 -0.287 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.674 1.553 0.647 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 3.875 1.972 1.210 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.546 2.280 0.933 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 3.930 3.067 2.032 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.591 3.376 1.752 1.00 0.00 C +ATOM 1094 CZ TYR A 64 2.789 3.766 2.303 1.00 0.00 C +ATOM 1095 OH TYR A 64 2.845 4.857 3.130 1.00 0.00 O +ATOM 1096 H TYR A 64 2.281 -0.887 2.349 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.722 -1.799 -0.381 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.269 0.530 -1.109 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.589 0.307 -0.676 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.774 1.413 0.997 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.608 1.972 0.498 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 4.872 3.377 2.458 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.680 3.920 1.949 1.00 0.00 H +ATOM 1104 HH TYR A 64 3.618 5.381 2.907 1.00 0.00 H +ATOM 1105 N GLN A 65 5.226 -1.313 -0.162 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.629 -1.269 0.113 1.00 0.00 C +ATOM 1107 C GLN A 65 7.233 -0.067 -0.568 1.00 0.00 C +ATOM 1108 O GLN A 65 6.931 0.218 -1.731 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.356 -2.564 -0.282 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.216 -2.972 -1.743 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.022 -4.213 -2.090 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 8.475 -4.375 -3.227 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 8.222 -5.088 -1.130 1.00 0.00 N +ATOM 1114 H GLN A 65 4.922 -1.484 -1.082 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.735 -1.113 1.175 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.410 -2.439 -0.074 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.981 -3.365 0.336 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.176 -3.164 -1.956 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.564 -2.154 -2.357 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 7.844 -4.907 -0.243 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 8.765 -5.885 -1.321 1.00 0.00 H +ATOM 1122 N VAL A 66 8.035 0.655 0.146 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.666 1.814 -0.413 1.00 0.00 C +ATOM 1124 C VAL A 66 10.045 1.438 -0.841 1.00 0.00 C +ATOM 1125 O VAL A 66 10.910 1.168 -0.011 1.00 0.00 O +ATOM 1126 CB VAL A 66 8.742 2.979 0.603 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.455 4.189 0.009 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.358 3.365 1.061 1.00 0.00 C +ATOM 1129 H VAL A 66 8.240 0.370 1.064 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.098 2.133 -1.275 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.303 2.646 1.463 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 10.452 3.904 -0.293 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 9.518 4.969 0.753 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 8.907 4.548 -0.850 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.430 4.155 1.792 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 6.876 2.506 1.502 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 6.776 3.706 0.219 1.00 0.00 H +ATOM 1138 N ILE A 67 10.255 1.415 -2.113 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.523 1.080 -2.634 1.00 0.00 C +ATOM 1140 C ILE A 67 12.218 2.366 -2.986 1.00 0.00 C +ATOM 1141 O ILE A 67 11.987 2.925 -4.057 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.405 0.206 -3.900 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.420 -0.945 -3.662 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.777 -0.347 -4.266 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 10.152 -1.783 -4.886 1.00 0.00 C +ATOM 1146 H ILE A 67 9.536 1.648 -2.743 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.085 0.548 -1.882 1.00 0.00 H +ATOM 1148 HB ILE A 67 11.048 0.818 -4.715 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.810 -1.596 -2.893 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.481 -0.534 -3.324 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 12.700 -0.945 -5.162 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 13.141 -0.966 -3.461 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.465 0.469 -4.433 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 9.746 -1.160 -5.669 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.437 -2.554 -4.634 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 11.071 -2.237 -5.225 1.00 0.00 H +ATOM 1157 N ASP A 68 13.034 2.851 -2.088 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.742 4.115 -2.290 1.00 0.00 C +ATOM 1159 C ASP A 68 14.814 3.953 -3.355 1.00 0.00 C +ATOM 1160 O ASP A 68 15.163 4.897 -4.046 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.325 4.630 -0.970 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.066 5.946 -1.111 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 14.420 7.001 -1.219 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 16.317 5.948 -1.063 1.00 0.00 O +ATOM 1165 H ASP A 68 13.168 2.355 -1.248 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.020 4.827 -2.662 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 13.516 4.777 -0.268 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.004 3.890 -0.574 1.00 0.00 H +ATOM 1169 N GLU A 69 15.273 2.717 -3.517 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.251 2.354 -4.546 1.00 0.00 C +ATOM 1171 C GLU A 69 15.690 2.625 -5.942 1.00 0.00 C +ATOM 1172 O GLU A 69 16.412 3.011 -6.854 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.584 0.868 -4.461 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.186 0.408 -3.154 1.00 0.00 C +ATOM 1175 CD GLU A 69 17.468 -1.069 -3.181 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 18.527 -1.472 -3.669 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 16.610 -1.864 -2.730 1.00 0.00 O +ATOM 1178 H GLU A 69 14.961 2.029 -2.893 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.155 2.926 -4.393 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.675 0.307 -4.614 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.273 0.624 -5.255 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 18.112 0.937 -2.988 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 16.494 0.617 -2.351 1.00 0.00 H +ATOM 1184 N LYS A 70 14.397 2.392 -6.097 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.731 2.556 -7.384 1.00 0.00 C +ATOM 1186 C LYS A 70 12.836 3.795 -7.379 1.00 0.00 C +ATOM 1187 O LYS A 70 12.194 4.125 -8.392 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.905 1.311 -7.700 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.714 0.029 -7.773 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.819 -1.171 -8.021 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.617 -2.460 -8.032 1.00 0.00 C +ATOM 1192 NZ LYS A 70 12.749 -3.640 -8.166 1.00 0.00 N +ATOM 1193 H LYS A 70 13.879 2.107 -5.318 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.491 2.672 -8.142 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.183 1.184 -6.909 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.393 1.447 -8.641 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.436 0.107 -8.569 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.233 -0.109 -6.835 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 12.070 -1.227 -7.244 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.332 -1.052 -8.978 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 14.304 -2.436 -8.865 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 14.177 -2.536 -7.112 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 13.327 -4.504 -8.189 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 12.205 -3.596 -9.050 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 12.073 -3.719 -7.381 1.00 0.00 H +ATOM 1206 N VAL A 71 12.798 4.457 -6.220 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.004 5.674 -5.960 1.00 0.00 C +ATOM 1208 C VAL A 71 10.488 5.398 -6.210 1.00 0.00 C +ATOM 1209 O VAL A 71 9.701 6.278 -6.562 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.525 6.892 -6.809 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 11.915 8.202 -6.331 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.051 6.984 -6.761 1.00 0.00 C +ATOM 1213 H VAL A 71 13.348 4.120 -5.483 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.119 5.897 -4.908 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.225 6.734 -7.835 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 12.165 8.361 -5.292 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 10.843 8.155 -6.445 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.303 9.017 -6.923 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.477 6.071 -7.152 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.373 7.120 -5.739 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.385 7.819 -7.359 1.00 0.00 H +ATOM 1222 N VAL A 72 10.070 4.186 -5.944 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.700 3.813 -6.193 1.00 0.00 C +ATOM 1224 C VAL A 72 8.084 3.150 -4.967 1.00 0.00 C +ATOM 1225 O VAL A 72 8.746 2.396 -4.245 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.554 2.894 -7.463 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.289 1.580 -7.296 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.091 2.645 -7.830 1.00 0.00 C +ATOM 1229 H VAL A 72 10.683 3.538 -5.534 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.161 4.731 -6.377 1.00 0.00 H +ATOM 1231 HB VAL A 72 9.023 3.414 -8.286 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 10.334 1.793 -7.136 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 9.165 0.987 -8.190 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 8.890 1.047 -6.445 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.595 2.156 -7.004 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 7.041 2.014 -8.705 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.601 3.585 -8.036 1.00 0.00 H +ATOM 1238 N VAL A 73 6.866 3.496 -4.711 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.087 2.913 -3.681 1.00 0.00 C +ATOM 1240 C VAL A 73 5.199 1.873 -4.343 1.00 0.00 C +ATOM 1241 O VAL A 73 4.343 2.199 -5.175 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.227 3.985 -2.978 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.374 3.378 -1.892 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.110 5.076 -2.406 1.00 0.00 C +ATOM 1245 H VAL A 73 6.433 4.189 -5.258 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.743 2.438 -2.967 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.583 4.433 -3.719 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 5.008 2.907 -1.154 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 3.711 2.642 -2.321 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.790 4.152 -1.417 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 6.807 4.641 -1.707 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 5.497 5.804 -1.895 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 6.654 5.556 -3.207 1.00 0.00 H +ATOM 1254 N PHE A 74 5.420 0.654 -4.002 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.752 -0.449 -4.616 1.00 0.00 C +ATOM 1256 C PHE A 74 3.712 -1.013 -3.662 1.00 0.00 C +ATOM 1257 O PHE A 74 4.058 -1.581 -2.630 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.814 -1.507 -4.967 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.317 -2.723 -5.685 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 5.132 -2.700 -7.051 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 5.063 -3.900 -4.996 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.703 -3.821 -7.720 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.629 -5.024 -5.661 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.449 -4.985 -7.026 1.00 0.00 C +ATOM 1265 H PHE A 74 6.062 0.472 -3.278 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.280 -0.116 -5.527 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.564 -1.050 -5.596 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.289 -1.830 -4.052 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 5.328 -1.789 -7.597 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.206 -3.929 -3.927 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.563 -3.787 -8.789 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.431 -5.934 -5.114 1.00 0.00 H +ATOM 1273 HZ PHE A 74 4.110 -5.864 -7.554 1.00 0.00 H +ATOM 1274 N VAL A 75 2.452 -0.823 -3.988 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.366 -1.343 -3.183 1.00 0.00 C +ATOM 1276 C VAL A 75 1.293 -2.833 -3.380 1.00 0.00 C +ATOM 1277 O VAL A 75 1.147 -3.320 -4.512 1.00 0.00 O +ATOM 1278 CB VAL A 75 -0.000 -0.682 -3.527 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.133 -1.268 -2.672 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.077 0.825 -3.333 1.00 0.00 C +ATOM 1281 H VAL A 75 2.248 -0.330 -4.814 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.608 -1.149 -2.150 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.222 -0.881 -4.564 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -0.919 -1.108 -1.626 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -1.215 -2.329 -2.857 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -2.069 -0.785 -2.920 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 -0.878 1.267 -3.574 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 0.837 1.235 -3.981 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.324 1.048 -2.305 1.00 0.00 H +ATOM 1290 N ILE A 76 1.413 -3.544 -2.296 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.466 -4.973 -2.335 1.00 0.00 C +ATOM 1292 C ILE A 76 0.075 -5.545 -2.107 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.351 -6.493 -2.773 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.397 -5.509 -1.215 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.774 -4.843 -1.273 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.553 -7.008 -1.344 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.702 -5.276 -0.156 1.00 0.00 C +ATOM 1298 H ILE A 76 1.452 -3.089 -1.426 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.857 -5.293 -3.289 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.939 -5.289 -0.262 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.247 -5.090 -2.212 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.653 -3.772 -1.211 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 1.578 -7.471 -1.318 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 3.154 -7.380 -0.527 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 3.036 -7.233 -2.284 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 5.657 -4.789 -0.275 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.834 -6.347 -0.196 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 4.272 -5.001 0.796 1.00 0.00 H +ATOM 1309 N SER A 77 -0.638 -4.971 -1.168 1.00 0.00 N +ATOM 1310 CA SER A 77 -1.936 -5.470 -0.800 1.00 0.00 C +ATOM 1311 C SER A 77 -2.784 -4.350 -0.245 1.00 0.00 C +ATOM 1312 O SER A 77 -2.259 -3.369 0.293 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.780 -6.577 0.245 1.00 0.00 C +ATOM 1314 OG SER A 77 -0.946 -7.604 -0.249 1.00 0.00 O +ATOM 1315 H SER A 77 -0.306 -4.176 -0.693 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.409 -5.886 -1.677 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.334 -6.168 1.139 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.748 -6.994 0.479 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.751 -7.406 -1.176 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.068 -4.487 -0.375 1.00 0.00 N +ATOM 1321 CA VAL A 78 -4.995 -3.513 0.110 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.278 -4.238 0.514 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.636 -5.246 -0.106 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.264 -2.412 -0.974 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.895 -2.981 -2.237 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.088 -1.272 -0.422 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.456 -5.282 -0.801 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.561 -3.054 0.987 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.300 -2.020 -1.264 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -6.064 -2.186 -2.947 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -6.837 -3.445 -1.988 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -5.233 -3.716 -2.672 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.558 -0.831 0.408 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -7.049 -1.640 -0.093 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.223 -0.530 -1.196 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.908 -3.795 1.573 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.122 -4.425 2.006 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.367 -4.214 3.467 1.00 0.00 C +ATOM 1339 O GLY A 79 -8.264 -3.103 3.957 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.552 -3.040 2.095 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.954 -4.028 1.444 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.038 -5.484 1.821 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.677 -5.262 4.172 1.00 0.00 N +ATOM 1344 CA LYS A 80 -8.964 -5.164 5.581 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.055 -6.087 6.379 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.405 -6.973 5.820 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.434 -5.479 5.845 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.396 -4.544 5.127 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.843 -4.876 5.422 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.229 -4.535 6.853 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -14.590 -5.001 7.169 1.00 0.00 N +ATOM 1352 H LYS A 80 -8.724 -6.145 3.742 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.770 -4.144 5.880 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.628 -6.484 5.497 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.626 -5.428 6.904 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.203 -3.530 5.445 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.225 -4.617 4.063 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -13.464 -4.307 4.748 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.000 -5.932 5.253 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -12.532 -5.004 7.532 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -13.186 -3.463 6.979 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -14.873 -4.708 8.127 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -14.580 -6.044 7.155 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -15.293 -4.676 6.476 1.00 0.00 H +ATOM 1365 N ALA A 81 -8.031 -5.902 7.680 1.00 0.00 N +ATOM 1366 CA ALA A 81 -7.149 -6.670 8.541 1.00 0.00 C +ATOM 1367 C ALA A 81 -7.841 -7.901 9.087 1.00 0.00 C +ATOM 1368 O ALA A 81 -7.260 -8.651 9.870 1.00 0.00 O +ATOM 1369 CB ALA A 81 -6.629 -5.809 9.673 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.637 -5.246 8.092 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.306 -6.987 7.945 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -7.452 -5.510 10.304 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -6.154 -4.928 9.264 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -5.912 -6.367 10.256 1.00 0.00 H +ATOM 1375 N GLU A 82 -9.064 -8.118 8.654 1.00 0.00 N +ATOM 1376 CA GLU A 82 -9.837 -9.246 9.100 1.00 0.00 C +ATOM 1377 C GLU A 82 -9.200 -10.538 8.633 1.00 0.00 C +ATOM 1378 O GLU A 82 -8.855 -10.681 7.448 1.00 0.00 O +ATOM 1379 CB GLU A 82 -11.302 -9.126 8.650 1.00 0.00 C +ATOM 1380 CG GLU A 82 -11.495 -8.847 7.167 1.00 0.00 C +ATOM 1381 CD GLU A 82 -12.948 -8.729 6.786 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -13.563 -7.671 7.043 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -13.503 -9.691 6.227 1.00 0.00 O +ATOM 1384 H GLU A 82 -9.445 -7.515 7.986 1.00 0.00 H +ATOM 1385 HA GLU A 82 -9.801 -9.233 10.179 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -11.813 -10.047 8.886 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -11.760 -8.324 9.209 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -11.004 -7.917 6.929 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -11.045 -9.647 6.598 1.00 0.00 H +ATOM 1390 N ALA A 83 -8.962 -11.431 9.594 1.00 0.00 N +ATOM 1391 CA ALA A 83 -8.339 -12.736 9.370 1.00 0.00 C +ATOM 1392 C ALA A 83 -6.881 -12.585 8.920 1.00 0.00 C +ATOM 1393 O ALA A 83 -6.292 -13.521 8.391 1.00 0.00 O +ATOM 1394 CB ALA A 83 -9.150 -13.553 8.365 1.00 0.00 C +ATOM 1395 H ALA A 83 -9.222 -11.203 10.514 1.00 0.00 H +ATOM 1396 HA ALA A 83 -8.341 -13.259 10.316 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -8.725 -14.539 8.255 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -9.127 -13.032 7.419 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -10.173 -13.623 8.706 1.00 0.00 H +ATOM 1400 N SER A 84 -6.302 -11.396 9.169 1.00 0.00 N +ATOM 1401 CA SER A 84 -4.921 -11.068 8.787 1.00 0.00 C +ATOM 1402 C SER A 84 -4.744 -11.147 7.249 1.00 0.00 C +ATOM 1403 O SER A 84 -3.631 -11.319 6.751 1.00 0.00 O +ATOM 1404 CB SER A 84 -3.939 -12.023 9.504 1.00 0.00 C +ATOM 1405 OG SER A 84 -4.159 -12.006 10.919 1.00 0.00 O +ATOM 1406 H SER A 84 -6.834 -10.719 9.642 1.00 0.00 H +ATOM 1407 HA SER A 84 -4.726 -10.056 9.107 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -4.092 -13.029 9.141 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -2.923 -11.716 9.304 1.00 0.00 H +ATOM 1410 HG SER A 84 -5.106 -11.850 11.047 1.00 0.00 H +ATOM 1411 N GLU A 85 -5.843 -10.876 6.523 1.00 0.00 N +ATOM 1412 CA GLU A 85 -5.914 -11.041 5.060 1.00 0.00 C +ATOM 1413 C GLU A 85 -4.827 -10.218 4.346 1.00 0.00 C +ATOM 1414 O GLU A 85 -4.061 -10.761 3.548 1.00 0.00 O +ATOM 1415 CB GLU A 85 -7.305 -10.606 4.574 1.00 0.00 C +ATOM 1416 CG GLU A 85 -7.639 -10.980 3.135 1.00 0.00 C +ATOM 1417 CD GLU A 85 -7.750 -12.473 2.935 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -8.766 -13.079 3.376 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -6.828 -13.092 2.371 1.00 0.00 O +ATOM 1420 H GLU A 85 -6.657 -10.590 6.991 1.00 0.00 H +ATOM 1421 HA GLU A 85 -5.779 -12.087 4.829 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -8.048 -11.061 5.213 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -7.380 -9.533 4.671 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -8.579 -10.523 2.863 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -6.857 -10.602 2.493 1.00 0.00 H +ATOM 1426 N VAL A 86 -4.730 -8.930 4.676 1.00 0.00 N +ATOM 1427 CA VAL A 86 -3.726 -8.053 4.053 1.00 0.00 C +ATOM 1428 C VAL A 86 -2.291 -8.475 4.345 1.00 0.00 C +ATOM 1429 O VAL A 86 -1.407 -8.207 3.559 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.901 -6.551 4.413 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -5.153 -5.993 3.782 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -3.926 -6.342 5.926 1.00 0.00 C +ATOM 1433 H VAL A 86 -5.364 -8.559 5.324 1.00 0.00 H +ATOM 1434 HA VAL A 86 -3.868 -8.153 2.986 1.00 0.00 H +ATOM 1435 HB VAL A 86 -3.057 -6.011 4.009 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -5.091 -6.088 2.708 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -5.256 -4.950 4.046 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -6.009 -6.542 4.143 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -4.050 -5.291 6.142 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -3.001 -6.696 6.356 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -4.751 -6.897 6.348 1.00 0.00 H +ATOM 1442 N TYR A 87 -2.071 -9.157 5.450 1.00 0.00 N +ATOM 1443 CA TYR A 87 -0.728 -9.555 5.810 1.00 0.00 C +ATOM 1444 C TYR A 87 -0.334 -10.803 5.043 1.00 0.00 C +ATOM 1445 O TYR A 87 0.777 -10.889 4.512 1.00 0.00 O +ATOM 1446 CB TYR A 87 -0.584 -9.773 7.320 1.00 0.00 C +ATOM 1447 CG TYR A 87 -0.877 -8.542 8.164 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 -0.115 -7.384 8.035 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 -1.910 -8.542 9.091 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 -0.376 -6.266 8.808 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 -2.174 -7.430 9.867 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -1.408 -6.297 9.724 1.00 0.00 C +ATOM 1453 OH TYR A 87 -1.677 -5.185 10.502 1.00 0.00 O +ATOM 1454 H TYR A 87 -2.831 -9.430 6.004 1.00 0.00 H +ATOM 1455 HA TYR A 87 -0.071 -8.753 5.505 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 -1.261 -10.556 7.626 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 0.428 -10.087 7.530 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 0.692 -7.363 7.317 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 -2.512 -9.431 9.207 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 0.228 -5.378 8.693 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 -2.980 -7.448 10.584 1.00 0.00 H +ATOM 1462 HH TYR A 87 -1.599 -5.467 11.422 1.00 0.00 H +ATOM 1463 N SER A 88 -1.263 -11.746 4.956 1.00 0.00 N +ATOM 1464 CA SER A 88 -1.047 -12.986 4.230 1.00 0.00 C +ATOM 1465 C SER A 88 -0.858 -12.693 2.738 1.00 0.00 C +ATOM 1466 O SER A 88 0.024 -13.261 2.079 1.00 0.00 O +ATOM 1467 CB SER A 88 -2.249 -13.899 4.442 1.00 0.00 C +ATOM 1468 OG SER A 88 -2.514 -14.057 5.830 1.00 0.00 O +ATOM 1469 H SER A 88 -2.129 -11.628 5.406 1.00 0.00 H +ATOM 1470 HA SER A 88 -0.163 -13.466 4.620 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -3.114 -13.462 3.967 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -2.048 -14.869 4.014 1.00 0.00 H +ATOM 1473 HG SER A 88 -3.052 -14.852 5.930 1.00 0.00 H +ATOM 1474 N GLU A 89 -1.672 -11.776 2.227 1.00 0.00 N +ATOM 1475 CA GLU A 89 -1.610 -11.366 0.843 1.00 0.00 C +ATOM 1476 C GLU A 89 -0.241 -10.732 0.569 1.00 0.00 C +ATOM 1477 O GLU A 89 0.447 -11.102 -0.396 1.00 0.00 O +ATOM 1478 CB GLU A 89 -2.728 -10.347 0.564 1.00 0.00 C +ATOM 1479 CG GLU A 89 -2.972 -10.023 -0.909 1.00 0.00 C +ATOM 1480 CD GLU A 89 -3.535 -11.188 -1.672 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -4.672 -11.594 -1.393 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -2.861 -11.731 -2.563 1.00 0.00 O +ATOM 1483 H GLU A 89 -2.353 -11.366 2.806 1.00 0.00 H +ATOM 1484 HA GLU A 89 -1.751 -12.234 0.216 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -3.653 -10.726 0.973 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -2.480 -9.428 1.074 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -3.668 -9.201 -0.979 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -2.032 -9.737 -1.359 1.00 0.00 H +ATOM 1489 N ALA A 90 0.169 -9.837 1.469 1.00 0.00 N +ATOM 1490 CA ALA A 90 1.404 -9.078 1.337 1.00 0.00 C +ATOM 1491 C ALA A 90 2.633 -9.957 1.319 1.00 0.00 C +ATOM 1492 O ALA A 90 3.436 -9.879 0.386 1.00 0.00 O +ATOM 1493 CB ALA A 90 1.522 -8.027 2.431 1.00 0.00 C +ATOM 1494 H ALA A 90 -0.398 -9.666 2.251 1.00 0.00 H +ATOM 1495 HA ALA A 90 1.350 -8.557 0.394 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 1.622 -8.516 3.389 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 0.635 -7.411 2.434 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 2.390 -7.410 2.247 1.00 0.00 H +ATOM 1499 N VAL A 91 2.775 -10.813 2.322 1.00 0.00 N +ATOM 1500 CA VAL A 91 3.959 -11.651 2.427 1.00 0.00 C +ATOM 1501 C VAL A 91 4.071 -12.606 1.228 1.00 0.00 C +ATOM 1502 O VAL A 91 5.158 -12.818 0.684 1.00 0.00 O +ATOM 1503 CB VAL A 91 4.041 -12.412 3.795 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 2.918 -13.426 3.974 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 5.409 -13.058 3.989 1.00 0.00 C +ATOM 1506 H VAL A 91 2.067 -10.875 3.005 1.00 0.00 H +ATOM 1507 HA VAL A 91 4.799 -10.974 2.358 1.00 0.00 H +ATOM 1508 HB VAL A 91 3.913 -11.671 4.571 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 2.971 -14.159 3.182 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 1.966 -12.919 3.931 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 3.021 -13.919 4.930 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 5.597 -13.757 3.188 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 5.426 -13.584 4.933 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 6.172 -12.294 3.987 1.00 0.00 H +ATOM 1515 N LYS A 92 2.936 -13.098 0.758 1.00 0.00 N +ATOM 1516 CA LYS A 92 2.928 -14.001 -0.365 1.00 0.00 C +ATOM 1517 C LYS A 92 3.270 -13.293 -1.670 1.00 0.00 C +ATOM 1518 O LYS A 92 3.749 -13.925 -2.591 1.00 0.00 O +ATOM 1519 CB LYS A 92 1.607 -14.760 -0.482 1.00 0.00 C +ATOM 1520 CG LYS A 92 1.349 -15.767 0.629 1.00 0.00 C +ATOM 1521 CD LYS A 92 2.389 -16.877 0.642 1.00 0.00 C +ATOM 1522 CE LYS A 92 2.121 -17.878 1.753 1.00 0.00 C +ATOM 1523 NZ LYS A 92 2.147 -17.252 3.086 1.00 0.00 N +ATOM 1524 H LYS A 92 2.089 -12.842 1.185 1.00 0.00 H +ATOM 1525 HA LYS A 92 3.715 -14.717 -0.182 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 0.804 -14.039 -0.448 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 1.579 -15.281 -1.427 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 1.373 -15.257 1.580 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 0.373 -16.204 0.481 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 2.362 -17.396 -0.303 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 3.369 -16.446 0.788 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 1.147 -18.316 1.599 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 2.875 -18.650 1.708 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 1.395 -16.540 3.191 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 3.065 -16.808 3.283 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 1.985 -17.971 3.820 1.00 0.00 H +ATOM 1537 N ARG A 93 3.067 -11.984 -1.741 1.00 0.00 N +ATOM 1538 CA ARG A 93 3.396 -11.250 -2.967 1.00 0.00 C +ATOM 1539 C ARG A 93 4.879 -11.008 -3.090 1.00 0.00 C +ATOM 1540 O ARG A 93 5.380 -10.673 -4.166 1.00 0.00 O +ATOM 1541 CB ARG A 93 2.640 -9.926 -3.107 1.00 0.00 C +ATOM 1542 CG ARG A 93 1.131 -10.047 -3.243 1.00 0.00 C +ATOM 1543 CD ARG A 93 0.750 -10.993 -4.364 1.00 0.00 C +ATOM 1544 NE ARG A 93 1.310 -10.601 -5.652 1.00 0.00 N +ATOM 1545 CZ ARG A 93 2.114 -11.355 -6.403 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 2.331 -12.619 -6.087 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 2.668 -10.844 -7.484 1.00 0.00 N +ATOM 1548 H ARG A 93 2.696 -11.501 -0.969 1.00 0.00 H +ATOM 1549 HA ARG A 93 3.129 -11.891 -3.788 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 2.842 -9.333 -2.227 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 3.021 -9.402 -3.971 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 0.727 -10.424 -2.315 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 0.716 -9.070 -3.447 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 1.099 -11.981 -4.113 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 -0.326 -10.993 -4.429 1.00 0.00 H +ATOM 1556 HE ARG A 93 1.067 -9.681 -5.944 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 1.914 -13.067 -5.293 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 2.940 -13.207 -6.625 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 2.477 -9.884 -7.725 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 3.299 -11.368 -8.064 1.00 0.00 H +ATOM 1561 N ILE A 94 5.574 -11.186 -2.008 1.00 0.00 N +ATOM 1562 CA ILE A 94 6.999 -10.992 -1.987 1.00 0.00 C +ATOM 1563 C ILE A 94 7.703 -12.243 -2.515 1.00 0.00 C +ATOM 1564 O ILE A 94 8.747 -12.158 -3.149 1.00 0.00 O +ATOM 1565 CB ILE A 94 7.472 -10.634 -0.559 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 6.716 -9.385 -0.094 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 8.987 -10.393 -0.519 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 6.938 -9.030 1.344 1.00 0.00 C +ATOM 1569 H ILE A 94 5.111 -11.455 -1.185 1.00 0.00 H +ATOM 1570 HA ILE A 94 7.222 -10.166 -2.648 1.00 0.00 H +ATOM 1571 HB ILE A 94 7.225 -11.449 0.105 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 7.030 -8.541 -0.690 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 5.658 -9.546 -0.241 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 9.505 -11.284 -0.840 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 9.289 -10.143 0.488 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 9.237 -9.575 -1.179 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 6.617 -9.865 1.949 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 6.347 -8.158 1.579 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 7.986 -8.834 1.510 1.00 0.00 H +ATOM 1580 N LEU A 95 7.107 -13.388 -2.296 1.00 0.00 N +ATOM 1581 CA LEU A 95 7.681 -14.621 -2.774 1.00 0.00 C +ATOM 1582 C LEU A 95 6.951 -15.077 -4.030 1.00 0.00 C +ATOM 1583 O LEU A 95 6.036 -15.909 -3.942 1.00 0.00 O +ATOM 1584 CB LEU A 95 7.682 -15.731 -1.690 1.00 0.00 C +ATOM 1585 CG LEU A 95 8.592 -15.532 -0.449 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 10.027 -15.222 -0.845 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 8.042 -14.489 0.518 1.00 0.00 C +ATOM 1588 OXT LEU A 95 7.254 -14.557 -5.118 1.00 0.00 O +ATOM 1589 H LEU A 95 6.251 -13.412 -1.822 1.00 0.00 H +ATOM 1590 HA LEU A 95 8.701 -14.402 -3.055 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 6.667 -15.842 -1.337 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 7.970 -16.651 -2.174 1.00 0.00 H +ATOM 1593 HG LEU A 95 8.633 -16.479 0.068 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 10.418 -16.025 -1.453 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 10.627 -15.125 0.048 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 10.060 -14.295 -1.397 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 7.076 -14.807 0.877 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 7.942 -13.545 0.003 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 8.720 -14.377 1.352 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 12 +ATOM 1 N MET A 1 11.723 15.073 -2.665 1.00 0.00 N +ATOM 2 CA MET A 1 11.584 13.999 -3.653 1.00 0.00 C +ATOM 3 C MET A 1 10.218 13.378 -3.528 1.00 0.00 C +ATOM 4 O MET A 1 9.720 13.174 -2.412 1.00 0.00 O +ATOM 5 CB MET A 1 12.651 12.917 -3.432 1.00 0.00 C +ATOM 6 CG MET A 1 12.605 11.760 -4.433 1.00 0.00 C +ATOM 7 SD MET A 1 13.814 10.460 -4.071 1.00 0.00 S +ATOM 8 CE MET A 1 15.361 11.361 -4.248 1.00 0.00 C +ATOM 9 H MET A 1 11.585 14.695 -1.706 1.00 0.00 H +ATOM 10 HA MET A 1 11.694 14.415 -4.642 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.624 13.378 -3.494 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.507 12.509 -2.445 1.00 0.00 H +ATOM 13 HG2 MET A 1 11.617 11.323 -4.411 1.00 0.00 H +ATOM 14 HG3 MET A 1 12.799 12.148 -5.422 1.00 0.00 H +ATOM 15 HE1 MET A 1 15.399 12.163 -3.525 1.00 0.00 H +ATOM 16 HE2 MET A 1 15.428 11.773 -5.243 1.00 0.00 H +ATOM 17 HE3 MET A 1 16.189 10.688 -4.082 1.00 0.00 H +ATOM 18 N ALA A 2 9.621 13.100 -4.641 1.00 0.00 N +ATOM 19 CA ALA A 2 8.338 12.457 -4.697 1.00 0.00 C +ATOM 20 C ALA A 2 8.529 11.120 -5.361 1.00 0.00 C +ATOM 21 O ALA A 2 9.226 11.025 -6.376 1.00 0.00 O +ATOM 22 CB ALA A 2 7.339 13.307 -5.472 1.00 0.00 C +ATOM 23 H ALA A 2 10.077 13.312 -5.485 1.00 0.00 H +ATOM 24 HA ALA A 2 7.982 12.310 -3.688 1.00 0.00 H +ATOM 25 HB1 ALA A 2 6.389 12.796 -5.506 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.702 13.459 -6.478 1.00 0.00 H +ATOM 27 HB3 ALA A 2 7.218 14.260 -4.977 1.00 0.00 H +ATOM 28 N TYR A 3 7.967 10.104 -4.793 1.00 0.00 N +ATOM 29 CA TYR A 3 8.132 8.763 -5.317 1.00 0.00 C +ATOM 30 C TYR A 3 7.038 8.441 -6.300 1.00 0.00 C +ATOM 31 O TYR A 3 6.016 9.129 -6.353 1.00 0.00 O +ATOM 32 CB TYR A 3 8.124 7.721 -4.190 1.00 0.00 C +ATOM 33 CG TYR A 3 9.329 7.734 -3.266 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.758 8.900 -2.650 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.030 6.560 -3.004 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.840 8.901 -1.807 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.112 6.555 -2.152 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.510 7.732 -1.557 1.00 0.00 C +ATOM 39 OH TYR A 3 12.572 7.739 -0.698 1.00 0.00 O +ATOM 40 H TYR A 3 7.399 10.243 -4.006 1.00 0.00 H +ATOM 41 HA TYR A 3 9.084 8.716 -5.823 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.245 7.867 -3.580 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.068 6.743 -4.647 1.00 0.00 H +ATOM 44 HD1 TYR A 3 9.230 9.822 -2.847 1.00 0.00 H +ATOM 45 HD2 TYR A 3 9.713 5.641 -3.474 1.00 0.00 H +ATOM 46 HE1 TYR A 3 11.156 9.822 -1.339 1.00 0.00 H +ATOM 47 HE2 TYR A 3 11.645 5.636 -1.959 1.00 0.00 H +ATOM 48 HH TYR A 3 13.260 7.131 -1.026 1.00 0.00 H +ATOM 49 N PHE A 4 7.265 7.427 -7.083 1.00 0.00 N +ATOM 50 CA PHE A 4 6.280 6.931 -8.009 1.00 0.00 C +ATOM 51 C PHE A 4 5.360 5.988 -7.261 1.00 0.00 C +ATOM 52 O PHE A 4 5.753 5.435 -6.248 1.00 0.00 O +ATOM 53 CB PHE A 4 6.964 6.188 -9.167 1.00 0.00 C +ATOM 54 CG PHE A 4 7.820 7.056 -10.047 1.00 0.00 C +ATOM 55 CD1 PHE A 4 9.162 7.257 -9.762 1.00 0.00 C +ATOM 56 CD2 PHE A 4 7.280 7.667 -11.161 1.00 0.00 C +ATOM 57 CE1 PHE A 4 9.946 8.050 -10.575 1.00 0.00 C +ATOM 58 CE2 PHE A 4 8.057 8.460 -11.977 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.392 8.654 -11.685 1.00 0.00 C +ATOM 60 H PHE A 4 8.139 6.978 -7.028 1.00 0.00 H +ATOM 61 HA PHE A 4 5.712 7.762 -8.397 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.612 5.434 -8.745 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.221 5.701 -9.780 1.00 0.00 H +ATOM 64 HD1 PHE A 4 9.593 6.784 -8.893 1.00 0.00 H +ATOM 65 HD2 PHE A 4 6.236 7.518 -11.393 1.00 0.00 H +ATOM 66 HE1 PHE A 4 10.991 8.200 -10.342 1.00 0.00 H +ATOM 67 HE2 PHE A 4 7.614 8.930 -12.842 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.001 9.276 -12.324 1.00 0.00 H +ATOM 69 N LEU A 5 4.163 5.819 -7.724 1.00 0.00 N +ATOM 70 CA LEU A 5 3.239 4.908 -7.075 1.00 0.00 C +ATOM 71 C LEU A 5 2.888 3.810 -8.075 1.00 0.00 C +ATOM 72 O LEU A 5 2.440 4.104 -9.187 1.00 0.00 O +ATOM 73 CB LEU A 5 1.968 5.679 -6.613 1.00 0.00 C +ATOM 74 CG LEU A 5 1.061 5.035 -5.514 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.475 3.701 -5.923 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.804 4.899 -4.199 1.00 0.00 C +ATOM 77 H LEU A 5 3.876 6.306 -8.525 1.00 0.00 H +ATOM 78 HA LEU A 5 3.735 4.474 -6.221 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.286 6.645 -6.249 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.357 5.848 -7.488 1.00 0.00 H +ATOM 81 HG LEU A 5 0.227 5.700 -5.345 1.00 0.00 H +ATOM 82 HD11 LEU A 5 1.277 3.028 -6.190 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.192 3.827 -6.763 1.00 0.00 H +ATOM 84 HD13 LEU A 5 -0.065 3.283 -5.085 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.685 4.292 -4.345 1.00 0.00 H +ATOM 86 HD22 LEU A 5 1.161 4.416 -3.478 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.087 5.872 -3.829 1.00 0.00 H +ATOM 88 N ASP A 6 3.109 2.576 -7.694 1.00 0.00 N +ATOM 89 CA ASP A 6 2.820 1.435 -8.547 1.00 0.00 C +ATOM 90 C ASP A 6 2.016 0.412 -7.755 1.00 0.00 C +ATOM 91 O ASP A 6 2.003 0.449 -6.522 1.00 0.00 O +ATOM 92 CB ASP A 6 4.130 0.821 -9.073 1.00 0.00 C +ATOM 93 CG ASP A 6 3.931 -0.298 -10.075 1.00 0.00 C +ATOM 94 OD1 ASP A 6 3.011 -0.209 -10.921 1.00 0.00 O +ATOM 95 OD2 ASP A 6 4.707 -1.274 -10.058 1.00 0.00 O +ATOM 96 H ASP A 6 3.471 2.398 -6.794 1.00 0.00 H +ATOM 97 HA ASP A 6 2.225 1.782 -9.379 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.727 1.588 -9.543 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.667 0.420 -8.228 1.00 0.00 H +ATOM 100 N PHE A 7 1.349 -0.475 -8.441 1.00 0.00 N +ATOM 101 CA PHE A 7 0.508 -1.479 -7.812 1.00 0.00 C +ATOM 102 C PHE A 7 0.814 -2.827 -8.401 1.00 0.00 C +ATOM 103 O PHE A 7 1.108 -2.931 -9.600 1.00 0.00 O +ATOM 104 CB PHE A 7 -0.988 -1.229 -8.093 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.597 0.047 -7.592 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -2.180 0.103 -6.338 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -1.638 1.173 -8.396 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.782 1.262 -5.888 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.244 2.329 -7.956 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.815 2.377 -6.699 1.00 0.00 C +ATOM 111 H PHE A 7 1.469 -0.500 -9.416 1.00 0.00 H +ATOM 112 HA PHE A 7 0.668 -1.480 -6.745 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.135 -1.239 -9.162 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.547 -2.053 -7.671 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -2.155 -0.769 -5.702 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -1.185 1.140 -9.376 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -3.227 1.296 -4.904 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -2.268 3.199 -8.596 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.290 3.284 -6.354 1.00 0.00 H +ATOM 120 N ASP A 8 0.752 -3.851 -7.592 1.00 0.00 N +ATOM 121 CA ASP A 8 0.804 -5.205 -8.111 1.00 0.00 C +ATOM 122 C ASP A 8 -0.588 -5.516 -8.633 1.00 0.00 C +ATOM 123 O ASP A 8 -1.568 -4.904 -8.173 1.00 0.00 O +ATOM 124 CB ASP A 8 1.176 -6.227 -7.015 1.00 0.00 C +ATOM 125 CG ASP A 8 1.335 -7.645 -7.565 1.00 0.00 C +ATOM 126 OD1 ASP A 8 0.335 -8.331 -7.760 1.00 0.00 O +ATOM 127 OD2 ASP A 8 2.474 -8.088 -7.826 1.00 0.00 O +ATOM 128 H ASP A 8 0.682 -3.703 -6.623 1.00 0.00 H +ATOM 129 HA ASP A 8 1.516 -5.241 -8.921 1.00 0.00 H +ATOM 130 HB2 ASP A 8 2.104 -5.930 -6.551 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.395 -6.237 -6.269 1.00 0.00 H +ATOM 132 N GLU A 9 -0.697 -6.419 -9.579 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.983 -6.802 -10.122 1.00 0.00 C +ATOM 134 C GLU A 9 -2.925 -7.346 -9.028 1.00 0.00 C +ATOM 135 O GLU A 9 -4.142 -7.154 -9.105 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.809 -7.763 -11.311 1.00 0.00 C +ATOM 137 CG GLU A 9 -1.055 -9.054 -11.014 1.00 0.00 C +ATOM 138 CD GLU A 9 -1.957 -10.252 -10.893 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -2.454 -10.549 -9.803 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -2.200 -10.925 -11.910 1.00 0.00 O +ATOM 141 H GLU A 9 0.115 -6.850 -9.921 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.430 -5.886 -10.482 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.789 -8.034 -11.675 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -1.285 -7.237 -12.096 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -0.349 -9.240 -11.809 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -0.521 -8.929 -10.084 1.00 0.00 H +ATOM 147 N ARG A 10 -2.349 -7.955 -7.980 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.122 -8.434 -6.835 1.00 0.00 C +ATOM 149 C ARG A 10 -3.764 -7.269 -6.137 1.00 0.00 C +ATOM 150 O ARG A 10 -4.959 -7.299 -5.832 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.244 -9.209 -5.843 1.00 0.00 C +ATOM 152 CG ARG A 10 -1.641 -10.448 -6.434 1.00 0.00 C +ATOM 153 CD ARG A 10 -2.689 -11.493 -6.745 1.00 0.00 C +ATOM 154 NE ARG A 10 -2.261 -12.333 -7.853 1.00 0.00 N +ATOM 155 CZ ARG A 10 -2.069 -13.647 -7.815 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -2.266 -14.333 -6.700 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -1.685 -14.276 -8.905 1.00 0.00 N +ATOM 158 H ARG A 10 -1.368 -8.090 -7.987 1.00 0.00 H +ATOM 159 HA ARG A 10 -3.898 -9.083 -7.208 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.443 -8.564 -5.512 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -2.844 -9.492 -4.991 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -1.135 -10.185 -7.351 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -0.925 -10.859 -5.737 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -2.827 -12.107 -5.869 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -3.625 -11.023 -7.001 1.00 0.00 H +ATOM 166 HE ARG A 10 -2.123 -11.795 -8.676 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -2.571 -13.923 -5.835 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -2.085 -15.320 -6.683 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -1.522 -13.813 -9.783 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -1.532 -15.270 -8.903 1.00 0.00 H +ATOM 171 N ALA A 11 -2.985 -6.227 -5.943 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.444 -5.027 -5.298 1.00 0.00 C +ATOM 173 C ALA A 11 -4.520 -4.359 -6.130 1.00 0.00 C +ATOM 174 O ALA A 11 -5.497 -3.897 -5.592 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.291 -4.073 -5.048 1.00 0.00 C +ATOM 176 H ALA A 11 -2.060 -6.267 -6.265 1.00 0.00 H +ATOM 177 HA ALA A 11 -3.867 -5.310 -4.345 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -2.654 -3.197 -4.531 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.856 -3.780 -5.992 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -1.542 -4.562 -4.443 1.00 0.00 H +ATOM 181 N LEU A 12 -4.351 -4.370 -7.454 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.317 -3.768 -8.366 1.00 0.00 C +ATOM 183 C LEU A 12 -6.664 -4.454 -8.289 1.00 0.00 C +ATOM 184 O LEU A 12 -7.701 -3.799 -8.297 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.801 -3.789 -9.797 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.683 -2.808 -10.131 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.199 -3.036 -11.547 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.177 -1.372 -9.972 1.00 0.00 C +ATOM 189 H LEU A 12 -3.552 -4.795 -7.836 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.447 -2.741 -8.064 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.443 -4.787 -10.001 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.638 -3.592 -10.448 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.853 -2.959 -9.456 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -4.023 -2.892 -12.230 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.819 -4.043 -11.641 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -2.415 -2.331 -11.776 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -5.035 -1.220 -10.609 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -3.392 -0.689 -10.260 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.453 -1.184 -8.945 1.00 0.00 H +ATOM 200 N LYS A 13 -6.640 -5.764 -8.199 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.853 -6.551 -8.091 1.00 0.00 C +ATOM 202 C LYS A 13 -8.596 -6.201 -6.811 1.00 0.00 C +ATOM 203 O LYS A 13 -9.805 -6.003 -6.824 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.503 -8.025 -8.109 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.929 -8.494 -9.425 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.200 -9.802 -9.259 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.698 -10.325 -10.591 1.00 0.00 C +ATOM 208 NZ LYS A 13 -4.865 -11.534 -10.436 1.00 0.00 N +ATOM 209 H LYS A 13 -5.767 -6.215 -8.216 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.469 -6.325 -8.948 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -6.772 -8.206 -7.336 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.393 -8.598 -7.897 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.730 -8.623 -10.137 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -6.239 -7.748 -9.789 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.358 -9.622 -8.605 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -6.865 -10.521 -8.805 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -6.547 -10.567 -11.213 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -5.113 -9.551 -11.067 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -4.650 -11.939 -11.371 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -5.325 -12.269 -9.866 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -3.945 -11.267 -10.015 1.00 0.00 H +ATOM 222 N GLU A 14 -7.857 -6.083 -5.718 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.438 -5.731 -4.439 1.00 0.00 C +ATOM 224 C GLU A 14 -8.923 -4.276 -4.458 1.00 0.00 C +ATOM 225 O GLU A 14 -9.977 -3.962 -3.943 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.409 -5.925 -3.336 1.00 0.00 C +ATOM 227 CG GLU A 14 -6.800 -7.317 -3.289 1.00 0.00 C +ATOM 228 CD GLU A 14 -7.817 -8.409 -3.101 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -8.576 -8.383 -2.121 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -7.896 -9.308 -3.943 1.00 0.00 O +ATOM 231 H GLU A 14 -6.889 -6.245 -5.763 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.277 -6.386 -4.259 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.610 -5.214 -3.484 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -7.883 -5.729 -2.385 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -6.309 -7.485 -4.237 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.061 -7.370 -2.506 1.00 0.00 H +ATOM 237 N TRP A 15 -8.142 -3.428 -5.086 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.410 -2.000 -5.222 1.00 0.00 C +ATOM 239 C TRP A 15 -9.712 -1.755 -5.984 1.00 0.00 C +ATOM 240 O TRP A 15 -10.541 -0.956 -5.570 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.222 -1.361 -5.957 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.301 0.111 -6.171 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.721 0.751 -7.297 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.924 1.127 -5.247 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.633 2.102 -7.123 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.146 2.361 -5.876 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.421 1.111 -3.945 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.883 3.568 -5.251 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.161 2.312 -3.326 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.389 3.522 -3.977 1.00 0.00 C +ATOM 251 H TRP A 15 -7.305 -3.767 -5.475 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.483 -1.563 -4.237 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.321 -1.552 -5.394 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.127 -1.836 -6.921 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -8.069 0.251 -8.188 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.876 2.776 -7.795 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.237 0.182 -3.427 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -7.056 4.512 -5.746 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.770 2.325 -2.320 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.169 4.438 -3.447 1.00 0.00 H +ATOM 261 N ARG A 16 -9.883 -2.450 -7.090 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.086 -2.310 -7.900 1.00 0.00 C +ATOM 263 C ARG A 16 -12.276 -2.972 -7.210 1.00 0.00 C +ATOM 264 O ARG A 16 -13.426 -2.574 -7.404 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.875 -2.890 -9.295 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.824 -2.169 -10.122 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.643 -2.830 -11.479 1.00 0.00 C +ATOM 268 NE ARG A 16 -10.895 -2.839 -12.252 1.00 0.00 N +ATOM 269 CZ ARG A 16 -11.089 -3.456 -13.426 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -10.095 -4.117 -14.012 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -12.287 -3.405 -14.004 1.00 0.00 N +ATOM 272 H ARG A 16 -9.168 -3.065 -7.373 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.290 -1.252 -7.985 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.564 -3.919 -9.192 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.812 -2.857 -9.833 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.133 -1.145 -10.268 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.885 -2.191 -9.589 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -8.887 -2.295 -12.034 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -9.322 -3.848 -11.321 1.00 0.00 H +ATOM 280 HE ARG A 16 -11.641 -2.342 -11.844 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -9.178 -4.185 -13.607 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -10.219 -4.583 -14.890 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -13.044 -2.911 -13.565 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -12.507 -3.848 -14.878 1.00 0.00 H +ATOM 285 N LYS A 17 -11.979 -3.990 -6.416 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.973 -4.691 -5.604 1.00 0.00 C +ATOM 287 C LYS A 17 -13.510 -3.744 -4.530 1.00 0.00 C +ATOM 288 O LYS A 17 -14.707 -3.762 -4.194 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.307 -5.884 -4.925 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.214 -6.724 -4.047 1.00 0.00 C +ATOM 291 CD LYS A 17 -12.407 -7.693 -3.188 1.00 0.00 C +ATOM 292 CE LYS A 17 -11.553 -8.626 -4.023 1.00 0.00 C +ATOM 293 NZ LYS A 17 -10.779 -9.561 -3.184 1.00 0.00 N +ATOM 294 H LYS A 17 -11.045 -4.294 -6.387 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.775 -5.038 -6.236 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -11.902 -6.524 -5.694 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.490 -5.516 -4.320 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -13.779 -6.067 -3.402 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -13.892 -7.285 -4.672 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -11.761 -7.128 -2.534 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -13.091 -8.282 -2.594 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -12.189 -9.180 -4.698 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -10.870 -8.011 -4.590 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -10.310 -10.276 -3.775 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -11.375 -10.043 -2.481 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -10.024 -9.051 -2.670 1.00 0.00 H +ATOM 307 N LEU A 18 -12.607 -2.945 -3.990 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.911 -1.956 -2.975 1.00 0.00 C +ATOM 309 C LEU A 18 -13.963 -0.972 -3.450 1.00 0.00 C +ATOM 310 O LEU A 18 -14.120 -0.726 -4.657 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.646 -1.188 -2.570 1.00 0.00 C +ATOM 312 CG LEU A 18 -11.045 -1.483 -1.191 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.744 -2.961 -1.004 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.789 -0.664 -1.003 1.00 0.00 C +ATOM 315 H LEU A 18 -11.674 -3.031 -4.287 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.267 -2.501 -2.115 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.887 -1.393 -3.310 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.878 -0.134 -2.615 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.745 -1.176 -0.431 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -11.658 -3.527 -1.099 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -10.324 -3.119 -0.021 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.039 -3.283 -1.756 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.069 -0.913 -1.769 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -9.370 -0.863 -0.027 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -10.042 0.384 -1.078 1.00 0.00 H +ATOM 326 N GLY A 19 -14.671 -0.412 -2.509 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.691 0.543 -2.815 1.00 0.00 C +ATOM 328 C GLY A 19 -15.063 1.838 -3.206 1.00 0.00 C +ATOM 329 O GLY A 19 -13.985 2.173 -2.688 1.00 0.00 O +ATOM 330 H GLY A 19 -14.461 -0.629 -1.576 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.294 0.172 -3.629 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.310 0.702 -1.945 1.00 0.00 H +ATOM 333 N SER A 20 -15.707 2.564 -4.099 1.00 0.00 N +ATOM 334 CA SER A 20 -15.191 3.809 -4.629 1.00 0.00 C +ATOM 335 C SER A 20 -14.735 4.774 -3.534 1.00 0.00 C +ATOM 336 O SER A 20 -13.611 5.227 -3.562 1.00 0.00 O +ATOM 337 CB SER A 20 -16.227 4.458 -5.544 1.00 0.00 C +ATOM 338 OG SER A 20 -16.542 3.597 -6.640 1.00 0.00 O +ATOM 339 H SER A 20 -16.583 2.255 -4.420 1.00 0.00 H +ATOM 340 HA SER A 20 -14.329 3.558 -5.228 1.00 0.00 H +ATOM 341 HB2 SER A 20 -17.128 4.650 -4.980 1.00 0.00 H +ATOM 342 HB3 SER A 20 -15.837 5.389 -5.928 1.00 0.00 H +ATOM 343 HG SER A 20 -16.094 3.981 -7.406 1.00 0.00 H +ATOM 344 N THR A 21 -15.561 4.976 -2.525 1.00 0.00 N +ATOM 345 CA THR A 21 -15.261 5.929 -1.476 1.00 0.00 C +ATOM 346 C THR A 21 -14.059 5.465 -0.639 1.00 0.00 C +ATOM 347 O THR A 21 -13.208 6.273 -0.257 1.00 0.00 O +ATOM 348 CB THR A 21 -16.489 6.128 -0.565 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.638 6.392 -1.390 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.287 7.304 0.387 1.00 0.00 C +ATOM 351 H THR A 21 -16.379 4.440 -2.459 1.00 0.00 H +ATOM 352 HA THR A 21 -15.022 6.874 -1.939 1.00 0.00 H +ATOM 353 HB THR A 21 -16.648 5.225 0.005 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.294 6.570 -2.276 1.00 0.00 H +ATOM 355 HG21 THR A 21 -16.132 8.207 -0.185 1.00 0.00 H +ATOM 356 HG22 THR A 21 -15.424 7.117 1.009 1.00 0.00 H +ATOM 357 HG23 THR A 21 -17.161 7.416 1.011 1.00 0.00 H +ATOM 358 N VAL A 22 -13.962 4.165 -0.415 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.894 3.618 0.405 1.00 0.00 C +ATOM 360 C VAL A 22 -11.557 3.761 -0.315 1.00 0.00 C +ATOM 361 O VAL A 22 -10.589 4.295 0.244 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.168 2.124 0.732 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -12.027 1.512 1.525 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.481 1.976 1.490 1.00 0.00 C +ATOM 365 H VAL A 22 -14.607 3.551 -0.825 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.852 4.177 1.328 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.256 1.586 -0.201 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -11.113 1.585 0.954 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -12.243 0.472 1.727 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -11.914 2.045 2.458 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -15.292 2.353 0.885 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -14.430 2.538 2.411 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.656 0.936 1.719 1.00 0.00 H +ATOM 374 N ARG A 23 -11.526 3.363 -1.566 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.318 3.476 -2.350 1.00 0.00 C +ATOM 376 C ARG A 23 -9.957 4.920 -2.655 1.00 0.00 C +ATOM 377 O ARG A 23 -8.797 5.259 -2.708 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.331 2.619 -3.600 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.545 2.780 -4.460 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.297 2.210 -5.814 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.544 2.066 -6.577 1.00 0.00 N +ATOM 382 CZ ARG A 23 -12.633 1.973 -7.908 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -11.559 2.171 -8.673 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.803 1.706 -8.476 1.00 0.00 N +ATOM 385 H ARG A 23 -12.342 2.981 -1.962 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.537 3.112 -1.697 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.459 2.844 -4.198 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.283 1.586 -3.287 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.354 2.233 -3.997 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.824 3.822 -4.535 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.613 2.899 -6.291 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -10.818 1.248 -5.705 1.00 0.00 H +ATOM 393 HE ARG A 23 -13.345 1.980 -6.015 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -10.661 2.402 -8.293 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -11.589 2.092 -9.673 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -14.649 1.562 -7.958 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -13.895 1.639 -9.475 1.00 0.00 H +ATOM 398 N GLU A 24 -10.957 5.758 -2.865 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.738 7.181 -3.093 1.00 0.00 C +ATOM 400 C GLU A 24 -9.997 7.835 -1.948 1.00 0.00 C +ATOM 401 O GLU A 24 -9.082 8.609 -2.163 1.00 0.00 O +ATOM 402 CB GLU A 24 -12.044 7.895 -3.366 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.482 7.813 -4.816 1.00 0.00 C +ATOM 404 CD GLU A 24 -13.861 8.357 -5.038 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -14.069 9.574 -4.860 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -14.773 7.573 -5.366 1.00 0.00 O +ATOM 407 H GLU A 24 -11.882 5.423 -2.889 1.00 0.00 H +ATOM 408 HA GLU A 24 -10.121 7.258 -3.976 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.798 7.402 -2.766 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.980 8.922 -3.049 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -11.789 8.375 -5.423 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.460 6.777 -5.118 1.00 0.00 H +ATOM 413 N GLN A 25 -10.357 7.500 -0.741 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.688 8.052 0.405 1.00 0.00 C +ATOM 415 C GLN A 25 -8.268 7.477 0.518 1.00 0.00 C +ATOM 416 O GLN A 25 -7.317 8.182 0.903 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.507 7.796 1.644 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.833 8.519 1.657 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.727 8.010 2.749 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -12.719 8.506 3.878 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.493 7.019 2.420 1.00 0.00 N +ATOM 422 H GLN A 25 -11.089 6.858 -0.605 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.607 9.118 0.245 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.713 6.739 1.702 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.948 8.109 2.511 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.657 9.573 1.813 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -12.323 8.371 0.707 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.403 6.719 1.483 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -14.102 6.602 3.068 1.00 0.00 H +ATOM 430 N LEU A 26 -8.128 6.213 0.144 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.835 5.540 0.141 1.00 0.00 C +ATOM 432 C LEU A 26 -5.890 6.124 -0.906 1.00 0.00 C +ATOM 433 O LEU A 26 -4.708 6.309 -0.628 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.987 4.027 -0.062 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.587 3.229 1.107 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.787 1.788 0.699 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.671 3.291 2.326 1.00 0.00 C +ATOM 438 H LEU A 26 -8.924 5.711 -0.131 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.391 5.713 1.109 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.613 3.875 -0.929 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -6.008 3.630 -0.285 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.554 3.622 1.379 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.457 1.744 -0.146 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.210 1.238 1.527 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -6.836 1.353 0.428 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -6.524 4.316 2.631 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -5.714 2.857 2.078 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -7.118 2.734 3.135 1.00 0.00 H +ATOM 449 N LYS A 27 -6.401 6.419 -2.107 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.559 7.001 -3.151 1.00 0.00 C +ATOM 451 C LYS A 27 -5.040 8.362 -2.731 1.00 0.00 C +ATOM 452 O LYS A 27 -3.917 8.720 -3.040 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.277 7.120 -4.487 1.00 0.00 C +ATOM 454 CG LYS A 27 -7.306 8.229 -4.571 1.00 0.00 C +ATOM 455 CD LYS A 27 -7.717 8.517 -5.993 1.00 0.00 C +ATOM 456 CE LYS A 27 -6.558 9.129 -6.773 1.00 0.00 C +ATOM 457 NZ LYS A 27 -6.917 9.381 -8.179 1.00 0.00 N +ATOM 458 H LYS A 27 -7.336 6.177 -2.309 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.709 6.344 -3.267 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -5.581 7.178 -5.306 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -6.828 6.198 -4.544 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -8.166 7.943 -3.986 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -6.858 9.109 -4.135 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -8.022 7.594 -6.464 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -8.545 9.210 -5.991 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -6.274 10.053 -6.291 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -5.715 8.458 -6.733 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -6.126 9.819 -8.693 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -7.747 10.003 -8.249 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -7.158 8.493 -8.662 1.00 0.00 H +ATOM 471 N LYS A 28 -5.878 9.109 -2.031 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.490 10.427 -1.502 1.00 0.00 C +ATOM 473 C LYS A 28 -4.306 10.260 -0.571 1.00 0.00 C +ATOM 474 O LYS A 28 -3.364 11.056 -0.584 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.639 11.085 -0.745 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.879 11.323 -1.562 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.981 11.914 -0.706 1.00 0.00 C +ATOM 478 CE LYS A 28 -10.304 11.930 -1.443 1.00 0.00 C +ATOM 479 NZ LYS A 28 -10.263 12.762 -2.663 1.00 0.00 N +ATOM 480 H LYS A 28 -6.781 8.734 -1.929 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.199 11.048 -2.337 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.920 10.444 0.076 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.304 12.035 -0.356 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.646 12.011 -2.361 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -8.219 10.385 -1.976 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.084 11.323 0.191 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.712 12.925 -0.441 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -10.539 10.913 -1.720 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -11.064 12.306 -0.775 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -10.079 13.759 -2.428 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -11.175 12.708 -3.159 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -9.526 12.434 -3.318 1.00 0.00 H +ATOM 493 N LYS A 29 -4.348 9.183 0.200 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.274 8.840 1.103 1.00 0.00 C +ATOM 495 C LYS A 29 -2.003 8.508 0.358 1.00 0.00 C +ATOM 496 O LYS A 29 -0.916 8.852 0.805 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.674 7.727 2.081 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.713 8.149 3.108 1.00 0.00 C +ATOM 499 CD LYS A 29 -4.158 9.283 3.928 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.114 9.810 4.955 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.548 11.011 5.600 1.00 0.00 N +ATOM 502 H LYS A 29 -5.144 8.611 0.151 1.00 0.00 H +ATOM 503 HA LYS A 29 -3.056 9.733 1.660 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.063 6.887 1.524 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.787 7.421 2.613 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -5.606 8.477 2.597 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -4.940 7.317 3.758 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -3.264 8.955 4.434 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -3.907 10.095 3.261 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.051 10.056 4.479 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.271 9.047 5.704 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -3.717 10.766 6.173 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -5.228 11.518 6.201 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.210 11.667 4.860 1.00 0.00 H +ATOM 515 N LEU A 30 -2.146 7.873 -0.779 1.00 0.00 N +ATOM 516 CA LEU A 30 -1.016 7.565 -1.628 1.00 0.00 C +ATOM 517 C LEU A 30 -0.382 8.858 -2.116 1.00 0.00 C +ATOM 518 O LEU A 30 0.828 9.018 -2.075 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.460 6.727 -2.829 1.00 0.00 C +ATOM 520 CG LEU A 30 -2.197 5.428 -2.510 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.572 4.702 -3.790 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.355 4.537 -1.608 1.00 0.00 C +ATOM 523 H LEU A 30 -3.046 7.584 -1.041 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.298 7.002 -1.050 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.106 7.342 -3.438 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.582 6.482 -3.408 1.00 0.00 H +ATOM 527 HG LEU A 30 -3.115 5.675 -1.994 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -1.678 4.462 -4.345 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -3.204 5.335 -4.396 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -3.102 3.792 -3.551 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -0.406 4.334 -2.077 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -1.872 3.604 -1.444 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -1.195 5.031 -0.661 1.00 0.00 H +ATOM 534 N VAL A 31 -1.226 9.793 -2.517 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.783 11.067 -3.053 1.00 0.00 C +ATOM 536 C VAL A 31 -0.015 11.889 -2.005 1.00 0.00 C +ATOM 537 O VAL A 31 1.063 12.424 -2.299 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.992 11.887 -3.599 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -1.563 13.255 -4.091 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -2.686 11.126 -4.715 1.00 0.00 C +ATOM 541 H VAL A 31 -2.190 9.609 -2.450 1.00 0.00 H +ATOM 542 HA VAL A 31 -0.115 10.861 -3.877 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.705 12.021 -2.798 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -1.104 13.796 -3.276 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -2.436 13.793 -4.431 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -0.857 13.146 -4.901 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -3.048 10.190 -4.315 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -1.985 10.935 -5.514 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -3.518 11.705 -5.088 1.00 0.00 H +ATOM 550 N GLU A 32 -0.536 11.965 -0.789 1.00 0.00 N +ATOM 551 CA GLU A 32 0.149 12.692 0.267 1.00 0.00 C +ATOM 552 C GLU A 32 1.441 11.980 0.704 1.00 0.00 C +ATOM 553 O GLU A 32 2.515 12.606 0.800 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.776 12.973 1.467 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.434 11.743 2.041 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.165 11.989 3.329 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -3.355 12.350 3.309 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -1.578 11.767 4.401 1.00 0.00 O +ATOM 559 H GLU A 32 -1.404 11.545 -0.600 1.00 0.00 H +ATOM 560 HA GLU A 32 0.444 13.636 -0.167 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.211 13.446 2.256 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.554 13.642 1.131 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -2.146 11.396 1.309 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.682 10.982 2.197 1.00 0.00 H +ATOM 565 N VAL A 33 1.355 10.664 0.863 1.00 0.00 N +ATOM 566 CA VAL A 33 2.448 9.864 1.385 1.00 0.00 C +ATOM 567 C VAL A 33 3.689 9.902 0.481 1.00 0.00 C +ATOM 568 O VAL A 33 4.787 9.791 0.958 1.00 0.00 O +ATOM 569 CB VAL A 33 2.034 8.407 1.752 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.037 7.456 0.557 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.872 7.888 2.903 1.00 0.00 C +ATOM 572 H VAL A 33 0.517 10.204 0.629 1.00 0.00 H +ATOM 573 HA VAL A 33 2.740 10.368 2.295 1.00 0.00 H +ATOM 574 HB VAL A 33 1.011 8.459 2.094 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.706 6.476 0.865 1.00 0.00 H +ATOM 576 HG12 VAL A 33 3.039 7.387 0.159 1.00 0.00 H +ATOM 577 HG13 VAL A 33 1.378 7.842 -0.207 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.613 6.860 3.108 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.680 8.486 3.783 1.00 0.00 H +ATOM 580 HG23 VAL A 33 3.914 7.958 2.640 1.00 0.00 H +ATOM 581 N LEU A 34 3.488 10.074 -0.824 1.00 0.00 N +ATOM 582 CA LEU A 34 4.574 10.090 -1.822 1.00 0.00 C +ATOM 583 C LEU A 34 5.694 11.084 -1.508 1.00 0.00 C +ATOM 584 O LEU A 34 6.824 10.897 -1.978 1.00 0.00 O +ATOM 585 CB LEU A 34 4.041 10.350 -3.236 1.00 0.00 C +ATOM 586 CG LEU A 34 3.208 9.238 -3.869 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.706 9.662 -5.235 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.019 7.957 -3.977 1.00 0.00 C +ATOM 589 H LEU A 34 2.566 10.177 -1.140 1.00 0.00 H +ATOM 590 HA LEU A 34 5.015 9.103 -1.815 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.430 11.241 -3.198 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.883 10.548 -3.882 1.00 0.00 H +ATOM 593 HG LEU A 34 2.349 9.043 -3.243 1.00 0.00 H +ATOM 594 HD11 LEU A 34 3.546 9.871 -5.880 1.00 0.00 H +ATOM 595 HD12 LEU A 34 2.102 10.552 -5.138 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.110 8.870 -5.663 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.928 8.153 -4.527 1.00 0.00 H +ATOM 598 HD22 LEU A 34 3.444 7.219 -4.516 1.00 0.00 H +ATOM 599 HD23 LEU A 34 4.260 7.579 -2.994 1.00 0.00 H +ATOM 600 N GLU A 35 5.404 12.144 -0.754 1.00 0.00 N +ATOM 601 CA GLU A 35 6.454 13.096 -0.425 1.00 0.00 C +ATOM 602 C GLU A 35 7.406 12.528 0.654 1.00 0.00 C +ATOM 603 O GLU A 35 8.583 12.916 0.737 1.00 0.00 O +ATOM 604 CB GLU A 35 5.903 14.477 -0.021 1.00 0.00 C +ATOM 605 CG GLU A 35 5.112 14.532 1.273 1.00 0.00 C +ATOM 606 CD GLU A 35 4.695 15.945 1.609 1.00 0.00 C +ATOM 607 OE1 GLU A 35 5.577 16.798 1.831 1.00 0.00 O +ATOM 608 OE2 GLU A 35 3.489 16.247 1.617 1.00 0.00 O +ATOM 609 H GLU A 35 4.488 12.266 -0.416 1.00 0.00 H +ATOM 610 HA GLU A 35 7.041 13.201 -1.326 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.732 15.161 0.090 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.273 14.841 -0.818 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.227 13.919 1.172 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.727 14.149 2.075 1.00 0.00 H +ATOM 615 N SER A 36 6.906 11.609 1.460 1.00 0.00 N +ATOM 616 CA SER A 36 7.687 10.959 2.508 1.00 0.00 C +ATOM 617 C SER A 36 7.086 9.575 2.807 1.00 0.00 C +ATOM 618 O SER A 36 6.378 9.408 3.778 1.00 0.00 O +ATOM 619 CB SER A 36 7.673 11.795 3.796 1.00 0.00 C +ATOM 620 OG SER A 36 8.052 13.142 3.552 1.00 0.00 O +ATOM 621 H SER A 36 5.976 11.310 1.341 1.00 0.00 H +ATOM 622 HA SER A 36 8.704 10.843 2.163 1.00 0.00 H +ATOM 623 HB2 SER A 36 6.675 11.789 4.211 1.00 0.00 H +ATOM 624 HB3 SER A 36 8.360 11.363 4.509 1.00 0.00 H +ATOM 625 HG SER A 36 8.331 13.190 2.630 1.00 0.00 H +ATOM 626 N PRO A 37 7.277 8.583 1.928 1.00 0.00 N +ATOM 627 CA PRO A 37 6.697 7.255 2.135 1.00 0.00 C +ATOM 628 C PRO A 37 7.504 6.384 3.096 1.00 0.00 C +ATOM 629 O PRO A 37 7.059 5.324 3.506 1.00 0.00 O +ATOM 630 CB PRO A 37 6.688 6.669 0.731 1.00 0.00 C +ATOM 631 CG PRO A 37 7.874 7.282 0.078 1.00 0.00 C +ATOM 632 CD PRO A 37 7.970 8.682 0.625 1.00 0.00 C +ATOM 633 HA PRO A 37 5.687 7.317 2.506 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.756 5.594 0.781 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.776 6.950 0.226 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.760 6.717 0.328 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.737 7.306 -0.993 1.00 0.00 H +ATOM 638 HD2 PRO A 37 8.998 8.989 0.748 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.435 9.365 -0.020 1.00 0.00 H +ATOM 640 N ARG A 38 8.663 6.866 3.485 1.00 0.00 N +ATOM 641 CA ARG A 38 9.558 6.133 4.365 1.00 0.00 C +ATOM 642 C ARG A 38 9.289 6.441 5.853 1.00 0.00 C +ATOM 643 O ARG A 38 10.184 6.443 6.674 1.00 0.00 O +ATOM 644 CB ARG A 38 11.044 6.360 3.931 1.00 0.00 C +ATOM 645 CG ARG A 38 11.520 7.824 3.783 1.00 0.00 C +ATOM 646 CD ARG A 38 11.787 8.508 5.118 1.00 0.00 C +ATOM 647 NE ARG A 38 12.830 7.802 5.897 1.00 0.00 N +ATOM 648 CZ ARG A 38 12.938 7.819 7.241 1.00 0.00 C +ATOM 649 NH1 ARG A 38 12.096 8.539 7.979 1.00 0.00 N +ATOM 650 NH2 ARG A 38 13.889 7.107 7.838 1.00 0.00 N +ATOM 651 H ARG A 38 8.910 7.758 3.166 1.00 0.00 H +ATOM 652 HA ARG A 38 9.318 5.089 4.220 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.683 5.891 4.665 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.198 5.859 2.986 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.428 7.839 3.200 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.757 8.374 3.251 1.00 0.00 H +ATOM 657 HD2 ARG A 38 12.102 9.523 4.931 1.00 0.00 H +ATOM 658 HD3 ARG A 38 10.867 8.517 5.686 1.00 0.00 H +ATOM 659 HE ARG A 38 13.466 7.275 5.363 1.00 0.00 H +ATOM 660 HH11 ARG A 38 11.357 9.086 7.576 1.00 0.00 H +ATOM 661 HH12 ARG A 38 12.170 8.557 8.978 1.00 0.00 H +ATOM 662 HH21 ARG A 38 14.549 6.550 7.330 1.00 0.00 H +ATOM 663 HH22 ARG A 38 13.986 7.070 8.838 1.00 0.00 H +ATOM 664 N ILE A 39 8.033 6.576 6.200 1.00 0.00 N +ATOM 665 CA ILE A 39 7.657 6.914 7.561 1.00 0.00 C +ATOM 666 C ILE A 39 7.675 5.650 8.410 1.00 0.00 C +ATOM 667 O ILE A 39 6.815 4.776 8.271 1.00 0.00 O +ATOM 668 CB ILE A 39 6.251 7.581 7.613 1.00 0.00 C +ATOM 669 CG1 ILE A 39 6.276 8.892 6.827 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.810 7.833 9.055 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.942 9.606 6.740 1.00 0.00 C +ATOM 672 H ILE A 39 7.348 6.409 5.519 1.00 0.00 H +ATOM 673 HA ILE A 39 8.393 7.604 7.943 1.00 0.00 H +ATOM 674 HB ILE A 39 5.539 6.915 7.148 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.970 9.566 7.307 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.616 8.694 5.821 1.00 0.00 H +ATOM 677 HG21 ILE A 39 4.817 8.259 9.061 1.00 0.00 H +ATOM 678 HG22 ILE A 39 6.496 8.532 9.507 1.00 0.00 H +ATOM 679 HG23 ILE A 39 5.815 6.906 9.610 1.00 0.00 H +ATOM 680 HD11 ILE A 39 4.590 9.838 7.735 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.228 8.969 6.239 1.00 0.00 H +ATOM 682 HD13 ILE A 39 5.064 10.519 6.177 1.00 0.00 H +ATOM 683 N GLU A 40 8.664 5.569 9.291 1.00 0.00 N +ATOM 684 CA GLU A 40 8.912 4.378 10.098 1.00 0.00 C +ATOM 685 C GLU A 40 7.752 4.015 11.018 1.00 0.00 C +ATOM 686 O GLU A 40 7.574 2.848 11.359 1.00 0.00 O +ATOM 687 CB GLU A 40 10.216 4.486 10.879 1.00 0.00 C +ATOM 688 CG GLU A 40 10.296 5.668 11.817 1.00 0.00 C +ATOM 689 CD GLU A 40 11.563 5.650 12.606 1.00 0.00 C +ATOM 690 OE1 GLU A 40 12.590 6.131 12.104 1.00 0.00 O +ATOM 691 OE2 GLU A 40 11.563 5.121 13.731 1.00 0.00 O +ATOM 692 H GLU A 40 9.258 6.346 9.389 1.00 0.00 H +ATOM 693 HA GLU A 40 9.021 3.576 9.387 1.00 0.00 H +ATOM 694 HB2 GLU A 40 10.339 3.588 11.466 1.00 0.00 H +ATOM 695 HB3 GLU A 40 11.034 4.554 10.176 1.00 0.00 H +ATOM 696 HG2 GLU A 40 10.263 6.577 11.235 1.00 0.00 H +ATOM 697 HG3 GLU A 40 9.457 5.638 12.496 1.00 0.00 H +ATOM 698 N ALA A 41 6.935 5.000 11.370 1.00 0.00 N +ATOM 699 CA ALA A 41 5.766 4.773 12.225 1.00 0.00 C +ATOM 700 C ALA A 41 4.690 3.969 11.489 1.00 0.00 C +ATOM 701 O ALA A 41 3.699 3.550 12.078 1.00 0.00 O +ATOM 702 CB ALA A 41 5.189 6.095 12.702 1.00 0.00 C +ATOM 703 H ALA A 41 7.136 5.907 11.058 1.00 0.00 H +ATOM 704 HA ALA A 41 6.093 4.209 13.086 1.00 0.00 H +ATOM 705 HB1 ALA A 41 4.354 5.908 13.361 1.00 0.00 H +ATOM 706 HB2 ALA A 41 4.854 6.667 11.850 1.00 0.00 H +ATOM 707 HB3 ALA A 41 5.948 6.650 13.233 1.00 0.00 H +ATOM 708 N ASN A 42 4.895 3.763 10.203 1.00 0.00 N +ATOM 709 CA ASN A 42 3.964 3.008 9.394 1.00 0.00 C +ATOM 710 C ASN A 42 4.548 1.666 9.011 1.00 0.00 C +ATOM 711 O ASN A 42 3.923 0.924 8.274 1.00 0.00 O +ATOM 712 CB ASN A 42 3.603 3.763 8.101 1.00 0.00 C +ATOM 713 CG ASN A 42 2.889 5.074 8.317 1.00 0.00 C +ATOM 714 OD1 ASN A 42 2.144 5.255 9.279 1.00 0.00 O +ATOM 715 ND2 ASN A 42 3.115 6.004 7.432 1.00 0.00 N +ATOM 716 H ASN A 42 5.700 4.132 9.778 1.00 0.00 H +ATOM 717 HA ASN A 42 3.060 2.858 9.964 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.510 3.975 7.556 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.974 3.126 7.499 1.00 0.00 H +ATOM 720 HD21 ASN A 42 3.727 5.793 6.697 1.00 0.00 H +ATOM 721 HD22 ASN A 42 2.674 6.875 7.523 1.00 0.00 H +ATOM 722 N LYS A 43 5.740 1.340 9.507 1.00 0.00 N +ATOM 723 CA LYS A 43 6.391 0.085 9.114 1.00 0.00 C +ATOM 724 C LYS A 43 5.739 -1.138 9.679 1.00 0.00 C +ATOM 725 O LYS A 43 5.264 -1.151 10.815 1.00 0.00 O +ATOM 726 CB LYS A 43 7.880 0.023 9.476 1.00 0.00 C +ATOM 727 CG LYS A 43 8.782 0.849 8.601 1.00 0.00 C +ATOM 728 CD LYS A 43 10.274 0.699 8.948 1.00 0.00 C +ATOM 729 CE LYS A 43 10.895 -0.664 8.532 1.00 0.00 C +ATOM 730 NZ LYS A 43 10.456 -1.841 9.348 1.00 0.00 N +ATOM 731 H LYS A 43 6.174 1.928 10.164 1.00 0.00 H +ATOM 732 HA LYS A 43 6.320 0.028 8.038 1.00 0.00 H +ATOM 733 HB2 LYS A 43 7.999 0.366 10.493 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.199 -1.007 9.423 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.638 0.530 7.579 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.491 1.883 8.690 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.820 1.482 8.444 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.391 0.829 10.014 1.00 0.00 H +ATOM 739 HE2 LYS A 43 10.631 -0.858 7.503 1.00 0.00 H +ATOM 740 HE3 LYS A 43 11.968 -0.571 8.598 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 10.598 -1.665 10.364 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 11.064 -2.657 9.114 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 9.479 -2.150 9.182 1.00 0.00 H +ATOM 744 N LEU A 44 5.716 -2.155 8.863 1.00 0.00 N +ATOM 745 CA LEU A 44 5.367 -3.466 9.295 1.00 0.00 C +ATOM 746 C LEU A 44 6.627 -4.059 9.853 1.00 0.00 C +ATOM 747 O LEU A 44 7.680 -4.042 9.187 1.00 0.00 O +ATOM 748 CB LEU A 44 4.880 -4.327 8.131 1.00 0.00 C +ATOM 749 CG LEU A 44 3.593 -3.896 7.442 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.301 -4.830 6.291 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.438 -3.912 8.420 1.00 0.00 C +ATOM 752 H LEU A 44 5.957 -2.009 7.921 1.00 0.00 H +ATOM 753 HA LEU A 44 4.614 -3.407 10.065 1.00 0.00 H +ATOM 754 HB2 LEU A 44 5.662 -4.344 7.386 1.00 0.00 H +ATOM 755 HB3 LEU A 44 4.743 -5.332 8.500 1.00 0.00 H +ATOM 756 HG LEU A 44 3.704 -2.894 7.055 1.00 0.00 H +ATOM 757 HD11 LEU A 44 4.104 -4.777 5.572 1.00 0.00 H +ATOM 758 HD12 LEU A 44 2.369 -4.544 5.823 1.00 0.00 H +ATOM 759 HD13 LEU A 44 3.220 -5.839 6.666 1.00 0.00 H +ATOM 760 HD21 LEU A 44 1.539 -3.582 7.921 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.663 -3.261 9.252 1.00 0.00 H +ATOM 762 HD23 LEU A 44 2.296 -4.919 8.785 1.00 0.00 H +ATOM 763 N ARG A 45 6.556 -4.523 11.045 1.00 0.00 N +ATOM 764 CA ARG A 45 7.692 -5.065 11.709 1.00 0.00 C +ATOM 765 C ARG A 45 7.842 -6.519 11.341 1.00 0.00 C +ATOM 766 O ARG A 45 6.984 -7.346 11.647 1.00 0.00 O +ATOM 767 CB ARG A 45 7.549 -4.844 13.197 1.00 0.00 C +ATOM 768 CG ARG A 45 7.590 -3.366 13.561 1.00 0.00 C +ATOM 769 CD ARG A 45 7.118 -3.118 14.970 1.00 0.00 C +ATOM 770 NE ARG A 45 5.703 -3.461 15.130 1.00 0.00 N +ATOM 771 CZ ARG A 45 5.028 -3.386 16.269 1.00 0.00 C +ATOM 772 NH1 ARG A 45 5.628 -2.949 17.367 1.00 0.00 N +ATOM 773 NH2 ARG A 45 3.748 -3.720 16.304 1.00 0.00 N +ATOM 774 H ARG A 45 5.693 -4.530 11.511 1.00 0.00 H +ATOM 775 HA ARG A 45 8.558 -4.528 11.355 1.00 0.00 H +ATOM 776 HB2 ARG A 45 6.608 -5.258 13.528 1.00 0.00 H +ATOM 777 HB3 ARG A 45 8.358 -5.345 13.702 1.00 0.00 H +ATOM 778 HG2 ARG A 45 8.606 -3.012 13.471 1.00 0.00 H +ATOM 779 HG3 ARG A 45 6.957 -2.823 12.874 1.00 0.00 H +ATOM 780 HD2 ARG A 45 7.705 -3.716 15.650 1.00 0.00 H +ATOM 781 HD3 ARG A 45 7.248 -2.072 15.204 1.00 0.00 H +ATOM 782 HE ARG A 45 5.257 -3.763 14.305 1.00 0.00 H +ATOM 783 HH11 ARG A 45 6.590 -2.669 17.374 1.00 0.00 H +ATOM 784 HH12 ARG A 45 5.143 -2.866 18.243 1.00 0.00 H +ATOM 785 HH21 ARG A 45 3.251 -4.030 15.489 1.00 0.00 H +ATOM 786 HH22 ARG A 45 3.213 -3.701 17.153 1.00 0.00 H +ATOM 787 N GLY A 46 8.910 -6.812 10.659 1.00 0.00 N +ATOM 788 CA GLY A 46 9.130 -8.133 10.140 1.00 0.00 C +ATOM 789 C GLY A 46 9.144 -8.088 8.635 1.00 0.00 C +ATOM 790 O GLY A 46 9.167 -9.118 7.959 1.00 0.00 O +ATOM 791 H GLY A 46 9.582 -6.113 10.497 1.00 0.00 H +ATOM 792 HA2 GLY A 46 10.075 -8.508 10.504 1.00 0.00 H +ATOM 793 HA3 GLY A 46 8.331 -8.784 10.463 1.00 0.00 H +ATOM 794 N MET A 47 9.093 -6.879 8.114 1.00 0.00 N +ATOM 795 CA MET A 47 9.145 -6.625 6.699 1.00 0.00 C +ATOM 796 C MET A 47 10.181 -5.539 6.488 1.00 0.00 C +ATOM 797 O MET A 47 10.224 -4.594 7.280 1.00 0.00 O +ATOM 798 CB MET A 47 7.779 -6.144 6.177 1.00 0.00 C +ATOM 799 CG MET A 47 6.621 -7.123 6.377 1.00 0.00 C +ATOM 800 SD MET A 47 6.845 -8.710 5.534 1.00 0.00 S +ATOM 801 CE MET A 47 6.898 -8.208 3.814 1.00 0.00 C +ATOM 802 H MET A 47 9.034 -6.098 8.705 1.00 0.00 H +ATOM 803 HA MET A 47 9.441 -7.532 6.196 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.529 -5.228 6.691 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.873 -5.934 5.121 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.514 -7.317 7.434 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.715 -6.663 6.010 1.00 0.00 H +ATOM 808 HE1 MET A 47 7.025 -9.081 3.190 1.00 0.00 H +ATOM 809 HE2 MET A 47 7.726 -7.534 3.657 1.00 0.00 H +ATOM 810 HE3 MET A 47 5.974 -7.713 3.557 1.00 0.00 H +ATOM 811 N PRO A 48 11.026 -5.650 5.433 1.00 0.00 N +ATOM 812 CA PRO A 48 12.124 -4.693 5.166 1.00 0.00 C +ATOM 813 C PRO A 48 11.649 -3.238 5.155 1.00 0.00 C +ATOM 814 O PRO A 48 11.909 -2.475 6.087 1.00 0.00 O +ATOM 815 CB PRO A 48 12.652 -5.115 3.778 1.00 0.00 C +ATOM 816 CG PRO A 48 11.622 -6.057 3.232 1.00 0.00 C +ATOM 817 CD PRO A 48 10.989 -6.714 4.420 1.00 0.00 C +ATOM 818 HA PRO A 48 12.909 -4.788 5.902 1.00 0.00 H +ATOM 819 HB2 PRO A 48 12.751 -4.240 3.155 1.00 0.00 H +ATOM 820 HB3 PRO A 48 13.614 -5.596 3.882 1.00 0.00 H +ATOM 821 HG2 PRO A 48 10.881 -5.501 2.677 1.00 0.00 H +ATOM 822 HG3 PRO A 48 12.092 -6.793 2.598 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.973 -7.000 4.192 1.00 0.00 H +ATOM 824 HD3 PRO A 48 11.560 -7.573 4.741 1.00 0.00 H +ATOM 825 N ASP A 49 10.926 -2.880 4.128 1.00 0.00 N +ATOM 826 CA ASP A 49 10.341 -1.568 4.018 1.00 0.00 C +ATOM 827 C ASP A 49 8.956 -1.688 3.499 1.00 0.00 C +ATOM 828 O ASP A 49 8.709 -1.543 2.304 1.00 0.00 O +ATOM 829 CB ASP A 49 11.143 -0.587 3.144 1.00 0.00 C +ATOM 830 CG ASP A 49 12.399 -0.066 3.790 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.306 0.768 4.715 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.506 -0.421 3.343 1.00 0.00 O +ATOM 833 H ASP A 49 10.774 -3.531 3.413 1.00 0.00 H +ATOM 834 HA ASP A 49 10.282 -1.173 5.021 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.422 -1.079 2.223 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.504 0.252 2.912 1.00 0.00 H +ATOM 837 N CYS A 50 8.067 -2.059 4.362 1.00 0.00 N +ATOM 838 CA CYS A 50 6.692 -2.148 4.023 1.00 0.00 C +ATOM 839 C CYS A 50 5.942 -1.346 5.028 1.00 0.00 C +ATOM 840 O CYS A 50 6.298 -1.346 6.216 1.00 0.00 O +ATOM 841 CB CYS A 50 6.240 -3.604 4.014 1.00 0.00 C +ATOM 842 SG CYS A 50 7.207 -4.641 2.892 1.00 0.00 S +ATOM 843 H CYS A 50 8.312 -2.263 5.288 1.00 0.00 H +ATOM 844 HA CYS A 50 6.551 -1.715 3.044 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.333 -4.011 5.011 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.207 -3.654 3.703 1.00 0.00 H +ATOM 847 HG CYS A 50 7.735 -3.796 2.017 1.00 0.00 H +ATOM 848 N TYR A 51 4.945 -0.664 4.580 1.00 0.00 N +ATOM 849 CA TYR A 51 4.220 0.247 5.410 1.00 0.00 C +ATOM 850 C TYR A 51 2.757 0.022 5.205 1.00 0.00 C +ATOM 851 O TYR A 51 2.348 -0.492 4.149 1.00 0.00 O +ATOM 852 CB TYR A 51 4.562 1.704 5.031 1.00 0.00 C +ATOM 853 CG TYR A 51 6.047 2.017 4.982 1.00 0.00 C +ATOM 854 CD1 TYR A 51 6.774 1.778 3.833 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.716 2.539 6.070 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.110 2.044 3.769 1.00 0.00 C +ATOM 857 CE2 TYR A 51 8.073 2.815 6.007 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.759 2.564 4.846 1.00 0.00 C +ATOM 859 OH TYR A 51 10.112 2.819 4.766 1.00 0.00 O +ATOM 860 H TYR A 51 4.656 -0.771 3.644 1.00 0.00 H +ATOM 861 HA TYR A 51 4.484 0.084 6.443 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.149 1.915 4.057 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.104 2.367 5.750 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.267 1.368 2.971 1.00 0.00 H +ATOM 865 HD2 TYR A 51 6.171 2.732 6.983 1.00 0.00 H +ATOM 866 HE1 TYR A 51 8.644 1.842 2.854 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.582 3.227 6.866 1.00 0.00 H +ATOM 868 HH TYR A 51 10.581 2.297 5.428 1.00 0.00 H +ATOM 869 N LYS A 52 1.977 0.376 6.183 1.00 0.00 N +ATOM 870 CA LYS A 52 0.560 0.250 6.070 1.00 0.00 C +ATOM 871 C LYS A 52 -0.103 1.572 6.376 1.00 0.00 C +ATOM 872 O LYS A 52 0.314 2.301 7.289 1.00 0.00 O +ATOM 873 CB LYS A 52 -0.029 -0.891 6.966 1.00 0.00 C +ATOM 874 CG LYS A 52 -0.033 -0.674 8.505 1.00 0.00 C +ATOM 875 CD LYS A 52 1.364 -0.561 9.097 1.00 0.00 C +ATOM 876 CE LYS A 52 1.346 -0.503 10.621 1.00 0.00 C +ATOM 877 NZ LYS A 52 0.587 0.659 11.140 1.00 0.00 N +ATOM 878 H LYS A 52 2.373 0.751 7.000 1.00 0.00 H +ATOM 879 HA LYS A 52 0.356 0.012 5.036 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -1.052 -1.059 6.665 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.530 -1.791 6.756 1.00 0.00 H +ATOM 882 HG2 LYS A 52 -0.565 0.240 8.722 1.00 0.00 H +ATOM 883 HG3 LYS A 52 -0.549 -1.503 8.968 1.00 0.00 H +ATOM 884 HD2 LYS A 52 1.951 -1.409 8.781 1.00 0.00 H +ATOM 885 HD3 LYS A 52 1.820 0.343 8.722 1.00 0.00 H +ATOM 886 HE2 LYS A 52 0.891 -1.408 10.996 1.00 0.00 H +ATOM 887 HE3 LYS A 52 2.365 -0.445 10.973 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 -0.406 0.631 10.839 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 0.999 1.566 10.843 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 0.600 0.643 12.180 1.00 0.00 H +ATOM 891 N ILE A 53 -1.106 1.877 5.618 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.896 3.055 5.830 1.00 0.00 C +ATOM 893 C ILE A 53 -3.231 2.594 6.349 1.00 0.00 C +ATOM 894 O ILE A 53 -3.726 1.555 5.927 1.00 0.00 O +ATOM 895 CB ILE A 53 -2.100 3.884 4.517 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.744 4.306 3.930 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -2.979 5.122 4.777 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.847 5.180 2.692 1.00 0.00 C +ATOM 899 H ILE A 53 -1.324 1.271 4.873 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.410 3.665 6.576 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.612 3.257 3.803 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.184 4.848 4.676 1.00 0.00 H +ATOM 903 HG13 ILE A 53 -0.192 3.417 3.664 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -2.503 5.762 5.505 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -3.940 4.810 5.156 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.118 5.666 3.855 1.00 0.00 H +ATOM 907 HD11 ILE A 53 0.137 5.497 2.381 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -1.436 6.050 2.932 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -1.323 4.629 1.893 1.00 0.00 H +ATOM 910 N LYS A 54 -3.789 3.332 7.256 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.041 2.992 7.852 1.00 0.00 C +ATOM 912 C LYS A 54 -6.031 4.070 7.509 1.00 0.00 C +ATOM 913 O LYS A 54 -5.734 5.268 7.644 1.00 0.00 O +ATOM 914 CB LYS A 54 -4.945 2.764 9.396 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.386 3.937 10.212 1.00 0.00 C +ATOM 916 CD LYS A 54 -2.872 4.072 10.077 1.00 0.00 C +ATOM 917 CE LYS A 54 -2.399 5.405 10.590 1.00 0.00 C +ATOM 918 NZ LYS A 54 -2.608 5.557 12.040 1.00 0.00 N +ATOM 919 H LYS A 54 -3.381 4.188 7.492 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.360 2.079 7.376 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.932 2.545 9.772 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.320 1.902 9.571 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.842 4.850 9.862 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -4.637 3.787 11.251 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -2.412 3.299 10.676 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -2.559 3.951 9.053 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -1.354 5.515 10.348 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -2.972 6.155 10.063 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -3.603 5.391 12.288 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -2.359 6.523 12.335 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -2.010 4.889 12.566 1.00 0.00 H +ATOM 932 N LEU A 55 -7.155 3.669 7.016 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.156 4.598 6.602 1.00 0.00 C +ATOM 934 C LEU A 55 -8.946 5.054 7.819 1.00 0.00 C +ATOM 935 O LEU A 55 -9.189 4.261 8.736 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.066 3.945 5.561 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.862 4.893 4.676 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -8.913 5.766 3.890 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -10.759 4.115 3.739 1.00 0.00 C +ATOM 940 H LEU A 55 -7.322 2.706 6.917 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.659 5.448 6.161 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.454 3.324 4.925 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.765 3.308 6.083 1.00 0.00 H +ATOM 944 HG LEU A 55 -10.479 5.547 5.273 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -9.492 6.386 3.226 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -8.244 5.148 3.311 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -8.345 6.397 4.556 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.447 3.513 4.314 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -10.157 3.473 3.113 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -11.316 4.801 3.118 1.00 0.00 H +ATOM 951 N ARG A 56 -9.337 6.320 7.833 1.00 0.00 N +ATOM 952 CA ARG A 56 -10.042 6.895 8.972 1.00 0.00 C +ATOM 953 C ARG A 56 -11.463 6.375 8.995 1.00 0.00 C +ATOM 954 O ARG A 56 -12.034 6.125 10.057 1.00 0.00 O +ATOM 955 CB ARG A 56 -10.043 8.426 8.890 1.00 0.00 C +ATOM 956 CG ARG A 56 -8.657 9.045 8.779 1.00 0.00 C +ATOM 957 CD ARG A 56 -7.845 8.877 10.055 1.00 0.00 C +ATOM 958 NE ARG A 56 -8.367 9.707 11.153 1.00 0.00 N +ATOM 959 CZ ARG A 56 -7.659 10.090 12.226 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -6.445 9.584 12.448 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -8.179 10.954 13.087 1.00 0.00 N +ATOM 962 H ARG A 56 -9.171 6.875 7.041 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.541 6.584 9.876 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -10.634 8.745 8.045 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -10.505 8.805 9.790 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -8.125 8.569 7.967 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -8.764 10.099 8.567 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -7.870 7.840 10.354 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -6.825 9.167 9.853 1.00 0.00 H +ATOM 970 HE ARG A 56 -9.291 10.030 11.034 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -6.036 8.911 11.832 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -5.875 9.877 13.224 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -9.100 11.335 12.960 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -7.671 11.299 13.884 1.00 0.00 H +ATOM 975 N SER A 57 -12.019 6.215 7.827 1.00 0.00 N +ATOM 976 CA SER A 57 -13.333 5.681 7.675 1.00 0.00 C +ATOM 977 C SER A 57 -13.245 4.196 7.302 1.00 0.00 C +ATOM 978 O SER A 57 -12.238 3.756 6.729 1.00 0.00 O +ATOM 979 CB SER A 57 -14.073 6.472 6.595 1.00 0.00 C +ATOM 980 OG SER A 57 -14.104 7.866 6.922 1.00 0.00 O +ATOM 981 H SER A 57 -11.519 6.469 7.021 1.00 0.00 H +ATOM 982 HA SER A 57 -13.858 5.789 8.611 1.00 0.00 H +ATOM 983 HB2 SER A 57 -13.567 6.346 5.650 1.00 0.00 H +ATOM 984 HB3 SER A 57 -15.087 6.109 6.516 1.00 0.00 H +ATOM 985 HG SER A 57 -14.286 7.904 7.871 1.00 0.00 H +ATOM 986 N SER A 58 -14.251 3.424 7.705 1.00 0.00 N +ATOM 987 CA SER A 58 -14.403 2.000 7.366 1.00 0.00 C +ATOM 988 C SER A 58 -13.395 1.050 8.084 1.00 0.00 C +ATOM 989 O SER A 58 -13.786 -0.010 8.582 1.00 0.00 O +ATOM 990 CB SER A 58 -14.390 1.807 5.844 1.00 0.00 C +ATOM 991 OG SER A 58 -15.371 2.636 5.233 1.00 0.00 O +ATOM 992 H SER A 58 -14.948 3.820 8.271 1.00 0.00 H +ATOM 993 HA SER A 58 -15.384 1.724 7.722 1.00 0.00 H +ATOM 994 HB2 SER A 58 -13.418 2.077 5.458 1.00 0.00 H +ATOM 995 HB3 SER A 58 -14.606 0.776 5.608 1.00 0.00 H +ATOM 996 HG SER A 58 -16.172 2.576 5.769 1.00 0.00 H +ATOM 997 N GLY A 59 -12.132 1.423 8.147 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.147 0.583 8.812 1.00 0.00 C +ATOM 999 C GLY A 59 -10.363 -0.284 7.842 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.014 -1.434 8.144 1.00 0.00 O +ATOM 1001 H GLY A 59 -11.878 2.286 7.747 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.455 1.211 9.354 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.661 -0.059 9.510 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.102 0.248 6.679 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.315 -0.453 5.691 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.865 -0.064 5.809 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.541 1.002 6.331 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.834 -0.210 4.272 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.081 -0.997 3.921 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.325 -0.648 4.422 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.005 -2.087 3.068 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.456 -1.366 4.085 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.128 -2.811 2.727 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.350 -2.446 3.239 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.477 -3.163 2.897 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.424 1.151 6.483 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.396 -1.507 5.916 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.065 0.839 4.159 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.060 -0.474 3.565 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.400 0.197 5.088 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.042 -2.371 2.671 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.418 -1.082 4.485 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.047 -3.659 2.064 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.165 -2.518 2.697 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.006 -0.930 5.356 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.587 -0.719 5.410 1.00 0.00 C +ATOM 1027 C ARG A 61 -4.998 -0.971 4.030 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.537 -1.761 3.246 1.00 0.00 O +ATOM 1029 CB ARG A 61 -4.877 -1.656 6.423 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.200 -1.493 7.928 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.601 -1.970 8.310 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.720 -2.178 9.758 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -7.526 -3.090 10.325 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -8.637 -3.483 9.694 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.291 -3.500 11.570 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.319 -1.752 4.914 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.408 0.309 5.692 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.131 -2.671 6.155 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -3.812 -1.537 6.292 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.482 -2.064 8.498 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -5.099 -0.449 8.186 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -7.323 -1.231 7.997 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.802 -2.904 7.805 1.00 0.00 H +ATOM 1044 HE ARG A 61 -6.046 -1.683 10.280 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -8.895 -3.093 8.806 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -9.254 -4.173 10.085 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -6.531 -3.128 12.108 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -7.809 -4.244 12.016 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.927 -0.318 3.736 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.244 -0.496 2.483 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.784 -0.773 2.794 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.189 -0.063 3.596 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.450 0.761 1.602 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.917 0.733 0.155 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.593 1.807 -0.658 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.428 0.975 0.118 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.568 0.319 4.394 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.663 -1.361 1.992 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.512 0.957 1.556 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -2.985 1.590 2.114 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.123 -0.227 -0.295 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -4.655 1.613 -0.686 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.185 1.794 -1.659 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.411 2.767 -0.200 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -0.923 0.201 0.675 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.225 1.937 0.567 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.085 0.972 -0.907 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.228 -1.807 2.185 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.135 -2.230 2.460 1.00 0.00 C +ATOM 1070 C VAL A 63 0.999 -2.132 1.208 1.00 0.00 C +ATOM 1071 O VAL A 63 0.681 -2.723 0.153 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.170 -3.680 3.018 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.599 -4.159 3.254 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.630 -3.770 4.304 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.720 -2.308 1.496 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.534 -1.564 3.212 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.291 -4.331 2.289 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 1.579 -5.154 3.675 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.097 -3.490 3.941 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 2.133 -4.178 2.315 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -1.666 -3.535 4.111 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.231 -3.067 5.021 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -0.550 -4.769 4.702 1.00 0.00 H +ATOM 1084 N TYR A 64 2.076 -1.408 1.321 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.974 -1.196 0.219 1.00 0.00 C +ATOM 1086 C TYR A 64 4.415 -1.305 0.666 1.00 0.00 C +ATOM 1087 O TYR A 64 4.711 -1.192 1.858 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.716 0.173 -0.458 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.826 1.397 0.441 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.035 1.797 1.005 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.715 2.150 0.711 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.110 2.906 1.809 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.780 3.255 1.510 1.00 0.00 C +ATOM 1094 CZ TYR A 64 2.980 3.632 2.061 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.044 4.730 2.875 1.00 0.00 O +ATOM 1096 H TYR A 64 2.290 -1.008 2.196 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.785 -1.973 -0.507 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.391 0.314 -1.286 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.709 0.157 -0.849 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.925 1.219 0.802 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.773 1.852 0.278 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.055 3.204 2.240 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.877 3.819 1.686 1.00 0.00 H +ATOM 1104 HH TYR A 64 3.840 5.221 2.657 1.00 0.00 H +ATOM 1105 N GLN A 65 5.286 -1.556 -0.264 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.701 -1.548 -0.008 1.00 0.00 C +ATOM 1107 C GLN A 65 7.306 -0.383 -0.745 1.00 0.00 C +ATOM 1108 O GLN A 65 6.871 -0.060 -1.853 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.391 -2.849 -0.450 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.221 -3.185 -1.929 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.110 -4.320 -2.403 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.740 -5.082 -3.288 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.313 -4.403 -1.881 1.00 0.00 N +ATOM 1114 H GLN A 65 4.971 -1.719 -1.185 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.851 -1.399 1.051 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.445 -2.756 -0.241 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.992 -3.665 0.135 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.191 -3.458 -2.108 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.456 -2.299 -2.501 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.601 -3.745 -1.215 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.896 -5.125 -2.201 1.00 0.00 H +ATOM 1122 N VAL A 66 8.249 0.280 -0.160 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.883 1.341 -0.876 1.00 0.00 C +ATOM 1124 C VAL A 66 10.196 0.849 -1.391 1.00 0.00 C +ATOM 1125 O VAL A 66 11.005 0.280 -0.654 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.051 2.680 -0.077 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 7.739 3.142 0.512 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 10.163 2.633 0.975 1.00 0.00 C +ATOM 1129 H VAL A 66 8.557 0.031 0.739 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.258 1.523 -1.739 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.315 3.427 -0.814 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 7.912 4.021 1.115 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 7.321 2.353 1.120 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 7.044 3.378 -0.280 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 10.119 3.510 1.604 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 11.112 2.628 0.458 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 10.090 1.734 1.564 1.00 0.00 H +ATOM 1138 N ILE A 67 10.371 0.950 -2.648 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.600 0.603 -3.211 1.00 0.00 C +ATOM 1140 C ILE A 67 12.329 1.900 -3.428 1.00 0.00 C +ATOM 1141 O ILE A 67 12.117 2.582 -4.431 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.432 -0.158 -4.546 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.447 -1.329 -4.368 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.783 -0.683 -5.002 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 10.127 -2.076 -5.646 1.00 0.00 C +ATOM 1146 H ILE A 67 9.658 1.293 -3.235 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.146 -0.006 -2.505 1.00 0.00 H +ATOM 1148 HB ILE A 67 11.045 0.519 -5.293 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.869 -2.040 -3.672 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.523 -0.948 -3.961 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 13.185 -1.349 -4.253 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 13.460 0.146 -5.147 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 12.662 -1.219 -5.932 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 9.436 -2.879 -5.432 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 11.039 -2.482 -6.058 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 9.681 -1.396 -6.357 1.00 0.00 H +ATOM 1157 N ASP A 68 13.153 2.263 -2.475 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.891 3.532 -2.516 1.00 0.00 C +ATOM 1159 C ASP A 68 14.962 3.458 -3.576 1.00 0.00 C +ATOM 1160 O ASP A 68 15.385 4.460 -4.143 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.485 3.849 -1.136 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.260 5.151 -1.088 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 14.649 6.237 -1.200 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 16.489 5.116 -0.883 1.00 0.00 O +ATOM 1165 H ASP A 68 13.274 1.660 -1.706 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.194 4.309 -2.794 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 13.683 3.915 -0.418 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.148 3.045 -0.851 1.00 0.00 H +ATOM 1169 N GLU A 69 15.342 2.235 -3.874 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.297 1.917 -4.916 1.00 0.00 C +ATOM 1171 C GLU A 69 15.750 2.348 -6.291 1.00 0.00 C +ATOM 1172 O GLU A 69 16.483 2.839 -7.133 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.547 0.412 -4.905 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.049 -0.115 -3.568 1.00 0.00 C +ATOM 1175 CD GLU A 69 17.131 -1.623 -3.515 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 18.084 -2.197 -4.070 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 16.259 -2.265 -2.867 1.00 0.00 O +ATOM 1178 H GLU A 69 14.970 1.508 -3.333 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.224 2.430 -4.709 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.621 -0.090 -5.138 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.277 0.173 -5.662 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 18.036 0.284 -3.386 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 16.381 0.224 -2.791 1.00 0.00 H +ATOM 1184 N LYS A 70 14.445 2.199 -6.481 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.808 2.538 -7.753 1.00 0.00 C +ATOM 1186 C LYS A 70 12.978 3.821 -7.640 1.00 0.00 C +ATOM 1187 O LYS A 70 12.428 4.300 -8.634 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.914 1.391 -8.224 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.634 0.099 -8.553 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.636 -0.986 -8.931 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.320 -2.301 -9.244 1.00 0.00 C +ATOM 1192 NZ LYS A 70 12.349 -3.364 -9.561 1.00 0.00 N +ATOM 1193 H LYS A 70 13.893 1.856 -5.749 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.589 2.690 -8.483 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.229 1.164 -7.420 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.352 1.706 -9.090 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.308 0.274 -9.380 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.196 -0.219 -7.688 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 11.953 -1.138 -8.108 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.082 -0.660 -9.800 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 13.978 -2.165 -10.090 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 13.904 -2.609 -8.391 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 12.834 -4.263 -9.752 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 11.774 -3.109 -10.387 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 11.690 -3.520 -8.769 1.00 0.00 H +ATOM 1206 N VAL A 71 12.891 4.365 -6.418 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.127 5.600 -6.115 1.00 0.00 C +ATOM 1208 C VAL A 71 10.602 5.359 -6.398 1.00 0.00 C +ATOM 1209 O VAL A 71 9.846 6.255 -6.774 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.696 6.845 -6.923 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 12.067 8.165 -6.471 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.216 6.929 -6.789 1.00 0.00 C +ATOM 1213 H VAL A 71 13.358 3.920 -5.681 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.236 5.773 -5.053 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.457 6.700 -7.967 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 12.269 8.322 -5.421 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 11.000 8.126 -6.630 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.488 8.979 -7.045 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.662 6.026 -7.177 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.477 7.042 -5.747 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.581 7.781 -7.344 1.00 0.00 H +ATOM 1222 N VAL A 72 10.155 4.148 -6.133 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.773 3.784 -6.385 1.00 0.00 C +ATOM 1224 C VAL A 72 8.168 3.078 -5.169 1.00 0.00 C +ATOM 1225 O VAL A 72 8.832 2.292 -4.486 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.625 2.897 -7.678 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.365 1.582 -7.553 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.163 2.651 -8.036 1.00 0.00 C +ATOM 1229 H VAL A 72 10.757 3.489 -5.725 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.216 4.700 -6.535 1.00 0.00 H +ATOM 1231 HB VAL A 72 9.083 3.440 -8.492 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 9.263 1.018 -8.468 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 8.954 1.020 -6.727 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 10.407 1.792 -7.367 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 7.107 2.048 -8.931 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.658 3.590 -8.199 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.684 2.126 -7.223 1.00 0.00 H +ATOM 1238 N VAL A 73 6.953 3.418 -4.882 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.180 2.826 -3.838 1.00 0.00 C +ATOM 1240 C VAL A 73 5.288 1.784 -4.489 1.00 0.00 C +ATOM 1241 O VAL A 73 4.433 2.118 -5.308 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.308 3.899 -3.143 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.472 3.304 -2.040 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.170 5.030 -2.607 1.00 0.00 C +ATOM 1245 H VAL A 73 6.511 4.111 -5.418 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.838 2.365 -3.118 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.644 4.313 -3.886 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 5.116 2.852 -1.300 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 3.816 2.554 -2.456 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.882 4.081 -1.578 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 6.683 5.503 -3.430 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 6.896 4.639 -1.910 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 5.545 5.757 -2.109 1.00 0.00 H +ATOM 1254 N PHE A 74 5.500 0.555 -4.153 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.808 -0.542 -4.773 1.00 0.00 C +ATOM 1256 C PHE A 74 3.763 -1.111 -3.823 1.00 0.00 C +ATOM 1257 O PHE A 74 4.103 -1.695 -2.787 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.847 -1.603 -5.171 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.309 -2.831 -5.846 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.903 -2.789 -7.164 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 5.233 -4.035 -5.165 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.430 -3.920 -7.790 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.766 -5.169 -5.786 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.364 -5.112 -7.102 1.00 0.00 C +ATOM 1265 H PHE A 74 6.140 0.356 -3.431 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.326 -0.180 -5.669 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.560 -1.156 -5.845 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.371 -1.914 -4.279 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 4.955 -1.857 -7.707 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.546 -4.081 -4.133 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.114 -3.874 -8.821 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.711 -6.102 -5.244 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.998 -5.999 -7.594 1.00 0.00 H +ATOM 1274 N VAL A 75 2.501 -0.905 -4.152 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.404 -1.422 -3.355 1.00 0.00 C +ATOM 1276 C VAL A 75 1.270 -2.907 -3.614 1.00 0.00 C +ATOM 1277 O VAL A 75 1.086 -3.337 -4.762 1.00 0.00 O +ATOM 1278 CB VAL A 75 0.059 -0.700 -3.662 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.081 -1.245 -2.794 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.202 0.804 -3.465 1.00 0.00 C +ATOM 1281 H VAL A 75 2.304 -0.389 -4.966 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.659 -1.280 -2.316 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.190 -0.883 -4.697 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.213 -2.299 -2.992 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -2.001 -0.723 -3.018 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -0.843 -1.107 -1.750 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 -0.741 1.285 -3.678 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 0.959 1.186 -4.134 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.489 1.009 -2.445 1.00 0.00 H +ATOM 1290 N ILE A 76 1.375 -3.681 -2.564 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.352 -5.116 -2.681 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.054 -5.632 -2.431 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.548 -6.507 -3.138 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.296 -5.764 -1.635 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.693 -5.138 -1.710 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.382 -7.277 -1.856 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.627 -5.606 -0.616 1.00 0.00 C +ATOM 1298 H ILE A 76 1.464 -3.272 -1.675 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.684 -5.399 -3.668 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.886 -5.590 -0.651 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.143 -5.387 -2.659 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.602 -4.064 -1.636 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 2.767 -7.474 -2.845 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 1.399 -7.709 -1.755 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 3.043 -7.705 -1.118 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 4.728 -6.680 -0.671 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.222 -5.329 0.347 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 5.593 -5.144 -0.747 1.00 0.00 H +ATOM 1309 N SER A 77 -0.705 -5.086 -1.434 1.00 0.00 N +ATOM 1310 CA SER A 77 -2.019 -5.532 -1.057 1.00 0.00 C +ATOM 1311 C SER A 77 -2.794 -4.388 -0.434 1.00 0.00 C +ATOM 1312 O SER A 77 -2.208 -3.452 0.115 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.912 -6.707 -0.073 1.00 0.00 C +ATOM 1314 OG SER A 77 -1.188 -7.784 -0.648 1.00 0.00 O +ATOM 1315 H SER A 77 -0.316 -4.345 -0.920 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.534 -5.867 -1.945 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.398 -6.381 0.819 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.902 -7.051 0.188 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.938 -7.523 -1.544 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.084 -4.458 -0.526 1.00 0.00 N +ATOM 1321 CA VAL A 78 -4.951 -3.444 -0.001 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.262 -4.102 0.427 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.727 -5.041 -0.228 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.182 -2.303 -1.053 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.816 -2.815 -2.333 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -5.985 -1.161 -0.473 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.506 -5.237 -0.942 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.471 -3.030 0.875 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.206 -1.922 -1.323 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -5.173 -3.559 -2.780 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.949 -1.995 -3.024 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -6.776 -3.256 -2.110 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.452 -0.754 0.373 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -6.958 -1.516 -0.167 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.091 -0.394 -1.226 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.808 -3.682 1.539 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.041 -4.248 2.007 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.097 -4.257 3.501 1.00 0.00 C +ATOM 1339 O GLY A 79 -7.705 -3.293 4.144 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.374 -2.980 2.080 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.873 -3.681 1.615 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.104 -5.266 1.656 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.569 -5.316 4.070 1.00 0.00 N +ATOM 1344 CA LYS A 80 -8.615 -5.398 5.500 1.00 0.00 C +ATOM 1345 C LYS A 80 -7.437 -6.200 6.019 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.483 -7.421 6.084 1.00 0.00 O +ATOM 1347 CB LYS A 80 -9.949 -5.969 5.991 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.158 -5.153 5.541 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.462 -5.665 6.141 1.00 0.00 C +ATOM 1350 CE LYS A 80 -12.760 -7.107 5.751 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -14.029 -7.583 6.334 1.00 0.00 N +ATOM 1352 H LYS A 80 -8.901 -6.064 3.528 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.512 -4.387 5.869 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.048 -6.972 5.608 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -9.940 -6.000 7.071 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.019 -4.126 5.842 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.222 -5.200 4.464 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -12.381 -5.610 7.216 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.273 -5.032 5.811 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -12.821 -7.173 4.675 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -11.955 -7.733 6.103 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -14.201 -8.582 6.107 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -14.845 -7.036 6.000 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -14.016 -7.505 7.372 1.00 0.00 H +ATOM 1365 N ALA A 81 -6.367 -5.507 6.313 1.00 0.00 N +ATOM 1366 CA ALA A 81 -5.181 -6.120 6.862 1.00 0.00 C +ATOM 1367 C ALA A 81 -5.318 -6.171 8.359 1.00 0.00 C +ATOM 1368 O ALA A 81 -5.554 -5.144 8.988 1.00 0.00 O +ATOM 1369 CB ALA A 81 -3.955 -5.309 6.488 1.00 0.00 C +ATOM 1370 H ALA A 81 -6.376 -4.542 6.155 1.00 0.00 H +ATOM 1371 HA ALA A 81 -5.081 -7.118 6.465 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -3.883 -5.235 5.413 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -3.073 -5.798 6.873 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -4.030 -4.319 6.913 1.00 0.00 H +ATOM 1375 N GLU A 82 -5.180 -7.326 8.932 1.00 0.00 N +ATOM 1376 CA GLU A 82 -5.344 -7.449 10.358 1.00 0.00 C +ATOM 1377 C GLU A 82 -4.231 -8.293 10.957 1.00 0.00 C +ATOM 1378 O GLU A 82 -3.721 -7.981 12.038 1.00 0.00 O +ATOM 1379 CB GLU A 82 -6.738 -8.020 10.686 1.00 0.00 C +ATOM 1380 CG GLU A 82 -7.085 -8.103 12.175 1.00 0.00 C +ATOM 1381 CD GLU A 82 -7.056 -6.760 12.890 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -7.970 -5.927 12.665 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -6.150 -6.534 13.722 1.00 0.00 O +ATOM 1384 H GLU A 82 -4.947 -8.121 8.396 1.00 0.00 H +ATOM 1385 HA GLU A 82 -5.272 -6.457 10.774 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -7.481 -7.401 10.206 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -6.799 -9.013 10.267 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -8.083 -8.504 12.268 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -6.386 -8.771 12.656 1.00 0.00 H +ATOM 1390 N ALA A 83 -3.811 -9.322 10.251 1.00 0.00 N +ATOM 1391 CA ALA A 83 -2.798 -10.195 10.791 1.00 0.00 C +ATOM 1392 C ALA A 83 -1.863 -10.773 9.730 1.00 0.00 C +ATOM 1393 O ALA A 83 -0.735 -10.304 9.574 1.00 0.00 O +ATOM 1394 CB ALA A 83 -3.419 -11.295 11.652 1.00 0.00 C +ATOM 1395 H ALA A 83 -4.158 -9.480 9.342 1.00 0.00 H +ATOM 1396 HA ALA A 83 -2.193 -9.582 11.446 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -4.046 -10.847 12.408 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -2.640 -11.877 12.121 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -4.018 -11.941 11.030 1.00 0.00 H +ATOM 1400 N SER A 84 -2.306 -11.764 8.985 1.00 0.00 N +ATOM 1401 CA SER A 84 -1.392 -12.439 8.084 1.00 0.00 C +ATOM 1402 C SER A 84 -1.770 -12.317 6.598 1.00 0.00 C +ATOM 1403 O SER A 84 -0.927 -12.558 5.745 1.00 0.00 O +ATOM 1404 CB SER A 84 -1.239 -13.919 8.506 1.00 0.00 C +ATOM 1405 OG SER A 84 -0.200 -14.575 7.787 1.00 0.00 O +ATOM 1406 H SER A 84 -3.237 -12.071 9.062 1.00 0.00 H +ATOM 1407 HA SER A 84 -0.428 -11.970 8.214 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -1.009 -13.970 9.559 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -2.169 -14.438 8.323 1.00 0.00 H +ATOM 1410 HG SER A 84 -0.469 -14.680 6.865 1.00 0.00 H +ATOM 1411 N GLU A 85 -2.982 -11.859 6.284 1.00 0.00 N +ATOM 1412 CA GLU A 85 -3.475 -11.848 4.898 1.00 0.00 C +ATOM 1413 C GLU A 85 -2.599 -11.047 3.940 1.00 0.00 C +ATOM 1414 O GLU A 85 -2.395 -11.442 2.784 1.00 0.00 O +ATOM 1415 CB GLU A 85 -4.951 -11.407 4.793 1.00 0.00 C +ATOM 1416 CG GLU A 85 -5.327 -10.080 5.455 1.00 0.00 C +ATOM 1417 CD GLU A 85 -5.301 -10.132 6.961 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -6.217 -10.718 7.561 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -4.357 -9.607 7.569 1.00 0.00 O +ATOM 1420 H GLU A 85 -3.578 -11.486 6.968 1.00 0.00 H +ATOM 1421 HA GLU A 85 -3.416 -12.873 4.563 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -5.156 -11.295 3.743 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -5.591 -12.185 5.176 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -4.611 -9.340 5.132 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -6.316 -9.794 5.128 1.00 0.00 H +ATOM 1426 N VAL A 86 -2.075 -9.946 4.412 1.00 0.00 N +ATOM 1427 CA VAL A 86 -1.219 -9.122 3.587 1.00 0.00 C +ATOM 1428 C VAL A 86 0.237 -9.589 3.651 1.00 0.00 C +ATOM 1429 O VAL A 86 0.962 -9.496 2.674 1.00 0.00 O +ATOM 1430 CB VAL A 86 -1.341 -7.616 3.937 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -2.743 -7.119 3.614 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -1.014 -7.373 5.411 1.00 0.00 C +ATOM 1433 H VAL A 86 -2.293 -9.691 5.332 1.00 0.00 H +ATOM 1434 HA VAL A 86 -1.557 -9.264 2.570 1.00 0.00 H +ATOM 1435 HB VAL A 86 -0.649 -7.055 3.326 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -3.466 -7.653 4.213 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -2.954 -7.288 2.568 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -2.808 -6.064 3.825 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -1.660 -7.984 6.024 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -1.186 -6.337 5.660 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 0.017 -7.632 5.602 1.00 0.00 H +ATOM 1442 N TYR A 87 0.636 -10.144 4.792 1.00 0.00 N +ATOM 1443 CA TYR A 87 2.001 -10.639 4.982 1.00 0.00 C +ATOM 1444 C TYR A 87 2.256 -11.837 4.110 1.00 0.00 C +ATOM 1445 O TYR A 87 3.266 -11.903 3.416 1.00 0.00 O +ATOM 1446 CB TYR A 87 2.268 -11.019 6.440 1.00 0.00 C +ATOM 1447 CG TYR A 87 2.523 -9.866 7.381 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 1.506 -9.017 7.782 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 3.797 -9.645 7.885 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 1.751 -7.980 8.655 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 4.049 -8.617 8.762 1.00 0.00 C +ATOM 1452 CZ TYR A 87 3.026 -7.788 9.143 1.00 0.00 C +ATOM 1453 OH TYR A 87 3.271 -6.775 10.030 1.00 0.00 O +ATOM 1454 H TYR A 87 -0.014 -10.246 5.516 1.00 0.00 H +ATOM 1455 HA TYR A 87 2.680 -9.849 4.699 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 1.414 -11.560 6.819 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 3.128 -11.671 6.469 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 0.509 -9.174 7.395 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 4.601 -10.299 7.581 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 0.945 -7.325 8.953 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 5.048 -8.462 9.142 1.00 0.00 H +ATOM 1462 HH TYR A 87 2.612 -6.843 10.729 1.00 0.00 H +ATOM 1463 N SER A 88 1.323 -12.769 4.135 1.00 0.00 N +ATOM 1464 CA SER A 88 1.421 -13.985 3.374 1.00 0.00 C +ATOM 1465 C SER A 88 1.536 -13.695 1.883 1.00 0.00 C +ATOM 1466 O SER A 88 2.367 -14.288 1.191 1.00 0.00 O +ATOM 1467 CB SER A 88 0.215 -14.863 3.664 1.00 0.00 C +ATOM 1468 OG SER A 88 0.127 -15.168 5.061 1.00 0.00 O +ATOM 1469 H SER A 88 0.528 -12.654 4.703 1.00 0.00 H +ATOM 1470 HA SER A 88 2.309 -14.507 3.695 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -0.679 -14.336 3.367 1.00 0.00 H +ATOM 1472 HB3 SER A 88 0.292 -15.783 3.104 1.00 0.00 H +ATOM 1473 HG SER A 88 1.025 -15.146 5.420 1.00 0.00 H +ATOM 1474 N GLU A 89 0.761 -12.745 1.408 1.00 0.00 N +ATOM 1475 CA GLU A 89 0.779 -12.425 0.012 1.00 0.00 C +ATOM 1476 C GLU A 89 2.102 -11.744 -0.327 1.00 0.00 C +ATOM 1477 O GLU A 89 2.742 -12.080 -1.307 1.00 0.00 O +ATOM 1478 CB GLU A 89 -0.403 -11.529 -0.346 1.00 0.00 C +ATOM 1479 CG GLU A 89 -0.860 -11.678 -1.790 1.00 0.00 C +ATOM 1480 CD GLU A 89 -1.392 -13.075 -2.065 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -2.574 -13.346 -1.733 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -0.649 -13.933 -2.599 1.00 0.00 O +ATOM 1483 H GLU A 89 0.165 -12.254 2.010 1.00 0.00 H +ATOM 1484 HA GLU A 89 0.710 -13.347 -0.546 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -1.228 -11.776 0.304 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -0.121 -10.501 -0.181 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -1.641 -10.960 -1.991 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -0.020 -11.492 -2.442 1.00 0.00 H +ATOM 1489 N ALA A 90 2.536 -10.842 0.549 1.00 0.00 N +ATOM 1490 CA ALA A 90 3.775 -10.100 0.358 1.00 0.00 C +ATOM 1491 C ALA A 90 4.998 -11.016 0.344 1.00 0.00 C +ATOM 1492 O ALA A 90 5.826 -10.929 -0.565 1.00 0.00 O +ATOM 1493 CB ALA A 90 3.927 -9.022 1.419 1.00 0.00 C +ATOM 1494 H ALA A 90 2.000 -10.657 1.351 1.00 0.00 H +ATOM 1495 HA ALA A 90 3.713 -9.616 -0.605 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 4.033 -9.489 2.387 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 3.051 -8.391 1.419 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 4.804 -8.428 1.209 1.00 0.00 H +ATOM 1499 N VAL A 91 5.091 -11.920 1.320 1.00 0.00 N +ATOM 1500 CA VAL A 91 6.240 -12.819 1.419 1.00 0.00 C +ATOM 1501 C VAL A 91 6.311 -13.776 0.212 1.00 0.00 C +ATOM 1502 O VAL A 91 7.396 -14.160 -0.226 1.00 0.00 O +ATOM 1503 CB VAL A 91 6.290 -13.598 2.784 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 5.121 -14.553 2.959 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 7.611 -14.328 2.954 1.00 0.00 C +ATOM 1506 H VAL A 91 4.378 -11.962 1.997 1.00 0.00 H +ATOM 1507 HA VAL A 91 7.110 -12.182 1.354 1.00 0.00 H +ATOM 1508 HB VAL A 91 6.213 -12.864 3.573 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 5.199 -15.054 3.911 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 5.132 -15.282 2.163 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 4.199 -13.992 2.919 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 7.724 -15.033 2.143 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 7.613 -14.860 3.895 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 8.427 -13.621 2.935 1.00 0.00 H +ATOM 1515 N LYS A 92 5.164 -14.151 -0.323 1.00 0.00 N +ATOM 1516 CA LYS A 92 5.136 -14.969 -1.519 1.00 0.00 C +ATOM 1517 C LYS A 92 5.416 -14.136 -2.774 1.00 0.00 C +ATOM 1518 O LYS A 92 6.033 -14.624 -3.730 1.00 0.00 O +ATOM 1519 CB LYS A 92 3.811 -15.739 -1.663 1.00 0.00 C +ATOM 1520 CG LYS A 92 3.893 -17.238 -1.319 1.00 0.00 C +ATOM 1521 CD LYS A 92 4.173 -17.526 0.156 1.00 0.00 C +ATOM 1522 CE LYS A 92 2.989 -17.190 1.064 1.00 0.00 C +ATOM 1523 NZ LYS A 92 1.763 -17.958 0.729 1.00 0.00 N +ATOM 1524 H LYS A 92 4.320 -13.867 0.094 1.00 0.00 H +ATOM 1525 HA LYS A 92 5.938 -15.684 -1.419 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 3.080 -15.284 -1.011 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 3.468 -15.642 -2.682 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 2.956 -17.705 -1.579 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 4.681 -17.674 -1.917 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 4.401 -18.575 0.271 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 5.029 -16.943 0.464 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 3.264 -17.411 2.084 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 2.778 -16.134 0.981 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 1.019 -17.785 1.436 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 1.962 -18.979 0.740 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 1.392 -17.695 -0.207 1.00 0.00 H +ATOM 1537 N ARG A 93 4.993 -12.882 -2.750 1.00 0.00 N +ATOM 1538 CA ARG A 93 5.085 -12.005 -3.902 1.00 0.00 C +ATOM 1539 C ARG A 93 6.512 -11.542 -4.117 1.00 0.00 C +ATOM 1540 O ARG A 93 7.024 -11.572 -5.241 1.00 0.00 O +ATOM 1541 CB ARG A 93 4.169 -10.783 -3.722 1.00 0.00 C +ATOM 1542 CG ARG A 93 3.627 -10.204 -5.021 1.00 0.00 C +ATOM 1543 CD ARG A 93 2.667 -11.195 -5.659 1.00 0.00 C +ATOM 1544 NE ARG A 93 2.079 -10.721 -6.905 1.00 0.00 N +ATOM 1545 CZ ARG A 93 1.389 -11.490 -7.757 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 1.187 -12.784 -7.496 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 0.863 -10.954 -8.835 1.00 0.00 N +ATOM 1548 H ARG A 93 4.586 -12.529 -1.928 1.00 0.00 H +ATOM 1549 HA ARG A 93 4.769 -12.548 -4.775 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 3.330 -11.067 -3.103 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 4.723 -10.010 -3.211 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 3.105 -9.280 -4.816 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 4.448 -10.022 -5.698 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 3.193 -12.113 -5.868 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 1.872 -11.398 -4.958 1.00 0.00 H +ATOM 1556 HE ARG A 93 2.189 -9.757 -7.107 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 1.542 -13.207 -6.654 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 0.682 -13.398 -8.106 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 0.976 -9.967 -9.001 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 0.350 -11.479 -9.516 1.00 0.00 H +ATOM 1561 N ILE A 94 7.150 -11.134 -3.053 1.00 0.00 N +ATOM 1562 CA ILE A 94 8.496 -10.614 -3.122 1.00 0.00 C +ATOM 1563 C ILE A 94 9.498 -11.753 -3.036 1.00 0.00 C +ATOM 1564 O ILE A 94 9.959 -12.120 -1.943 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.764 -9.590 -1.996 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 7.663 -8.531 -1.993 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 10.132 -8.922 -2.197 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 7.675 -7.652 -0.775 1.00 0.00 C +ATOM 1569 H ILE A 94 6.709 -11.184 -2.175 1.00 0.00 H +ATOM 1570 HA ILE A 94 8.611 -10.119 -4.076 1.00 0.00 H +ATOM 1571 HB ILE A 94 8.759 -10.104 -1.046 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 7.783 -7.898 -2.858 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 6.702 -9.022 -2.042 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 10.908 -9.673 -2.180 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 10.306 -8.207 -1.407 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 10.146 -8.414 -3.150 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 7.515 -8.272 0.095 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 6.875 -6.932 -0.861 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 8.628 -7.149 -0.698 1.00 0.00 H +ATOM 1580 N LEU A 95 9.745 -12.355 -4.177 1.00 0.00 N +ATOM 1581 CA LEU A 95 10.690 -13.432 -4.342 1.00 0.00 C +ATOM 1582 C LEU A 95 10.680 -13.810 -5.811 1.00 0.00 C +ATOM 1583 O LEU A 95 10.176 -14.894 -6.174 1.00 0.00 O +ATOM 1584 CB LEU A 95 10.305 -14.650 -3.475 1.00 0.00 C +ATOM 1585 CG LEU A 95 11.324 -15.790 -3.404 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 12.642 -15.305 -2.820 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 10.769 -16.933 -2.585 1.00 0.00 C +ATOM 1588 OXT LEU A 95 11.079 -12.972 -6.631 1.00 0.00 O +ATOM 1589 H LEU A 95 9.263 -12.055 -4.978 1.00 0.00 H +ATOM 1590 HA LEU A 95 11.670 -13.072 -4.066 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 10.121 -14.299 -2.471 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 9.379 -15.050 -3.862 1.00 0.00 H +ATOM 1593 HG LEU A 95 11.516 -16.150 -4.402 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 13.066 -14.540 -3.454 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 13.332 -16.133 -2.748 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 12.465 -14.898 -1.836 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 9.878 -17.315 -3.058 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 10.526 -16.578 -1.593 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 11.505 -17.719 -2.519 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 13 +ATOM 1 N MET A 1 10.618 15.850 -1.574 1.00 0.00 N +ATOM 2 CA MET A 1 10.906 14.620 -2.298 1.00 0.00 C +ATOM 3 C MET A 1 9.592 13.959 -2.636 1.00 0.00 C +ATOM 4 O MET A 1 8.607 14.152 -1.924 1.00 0.00 O +ATOM 5 CB MET A 1 11.755 13.672 -1.430 1.00 0.00 C +ATOM 6 CG MET A 1 12.277 12.458 -2.178 1.00 0.00 C +ATOM 7 SD MET A 1 13.238 11.341 -1.149 1.00 0.00 S +ATOM 8 CE MET A 1 13.762 10.138 -2.373 1.00 0.00 C +ATOM 9 H MET A 1 10.054 16.492 -2.164 1.00 0.00 H +ATOM 10 HA MET A 1 11.432 14.854 -3.209 1.00 0.00 H +ATOM 11 HB2 MET A 1 12.602 14.208 -1.030 1.00 0.00 H +ATOM 12 HB3 MET A 1 11.145 13.321 -0.610 1.00 0.00 H +ATOM 13 HG2 MET A 1 11.437 11.913 -2.582 1.00 0.00 H +ATOM 14 HG3 MET A 1 12.899 12.805 -2.988 1.00 0.00 H +ATOM 15 HE1 MET A 1 14.355 10.624 -3.132 1.00 0.00 H +ATOM 16 HE2 MET A 1 12.893 9.688 -2.830 1.00 0.00 H +ATOM 17 HE3 MET A 1 14.351 9.374 -1.888 1.00 0.00 H +ATOM 18 N ALA A 2 9.550 13.235 -3.727 1.00 0.00 N +ATOM 19 CA ALA A 2 8.371 12.505 -4.116 1.00 0.00 C +ATOM 20 C ALA A 2 8.784 11.179 -4.692 1.00 0.00 C +ATOM 21 O ALA A 2 9.911 11.029 -5.173 1.00 0.00 O +ATOM 22 CB ALA A 2 7.556 13.283 -5.129 1.00 0.00 C +ATOM 23 H ALA A 2 10.332 13.172 -4.319 1.00 0.00 H +ATOM 24 HA ALA A 2 7.770 12.338 -3.234 1.00 0.00 H +ATOM 25 HB1 ALA A 2 7.276 14.239 -4.714 1.00 0.00 H +ATOM 26 HB2 ALA A 2 6.663 12.721 -5.364 1.00 0.00 H +ATOM 27 HB3 ALA A 2 8.137 13.431 -6.029 1.00 0.00 H +ATOM 28 N TYR A 3 7.913 10.226 -4.615 1.00 0.00 N +ATOM 29 CA TYR A 3 8.168 8.906 -5.142 1.00 0.00 C +ATOM 30 C TYR A 3 7.121 8.589 -6.194 1.00 0.00 C +ATOM 31 O TYR A 3 6.199 9.385 -6.423 1.00 0.00 O +ATOM 32 CB TYR A 3 8.100 7.834 -4.031 1.00 0.00 C +ATOM 33 CG TYR A 3 9.194 7.863 -2.962 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.434 8.991 -2.184 1.00 0.00 C +ATOM 35 CD2 TYR A 3 9.965 6.734 -2.718 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.406 8.992 -1.202 1.00 0.00 C +ATOM 37 CE2 TYR A 3 10.931 6.724 -1.731 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.145 7.853 -0.975 1.00 0.00 C +ATOM 39 OH TYR A 3 12.100 7.842 0.017 1.00 0.00 O +ATOM 40 H TYR A 3 7.043 10.403 -4.201 1.00 0.00 H +ATOM 41 HA TYR A 3 9.150 8.895 -5.590 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.155 7.909 -3.518 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.138 6.866 -4.511 1.00 0.00 H +ATOM 44 HD1 TYR A 3 8.851 9.881 -2.365 1.00 0.00 H +ATOM 45 HD2 TYR A 3 9.795 5.847 -3.310 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.572 9.880 -0.610 1.00 0.00 H +ATOM 47 HE2 TYR A 3 11.517 5.833 -1.561 1.00 0.00 H +ATOM 48 HH TYR A 3 12.711 7.102 -0.147 1.00 0.00 H +ATOM 49 N PHE A 4 7.273 7.460 -6.825 1.00 0.00 N +ATOM 50 CA PHE A 4 6.309 6.959 -7.782 1.00 0.00 C +ATOM 51 C PHE A 4 5.356 6.032 -7.049 1.00 0.00 C +ATOM 52 O PHE A 4 5.686 5.553 -5.979 1.00 0.00 O +ATOM 53 CB PHE A 4 7.026 6.183 -8.894 1.00 0.00 C +ATOM 54 CG PHE A 4 7.952 7.016 -9.724 1.00 0.00 C +ATOM 55 CD1 PHE A 4 9.277 7.186 -9.356 1.00 0.00 C +ATOM 56 CD2 PHE A 4 7.499 7.630 -10.872 1.00 0.00 C +ATOM 57 CE1 PHE A 4 10.127 7.952 -10.114 1.00 0.00 C +ATOM 58 CE2 PHE A 4 8.344 8.395 -11.637 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.663 8.557 -11.256 1.00 0.00 C +ATOM 60 H PHE A 4 8.081 6.928 -6.645 1.00 0.00 H +ATOM 61 HA PHE A 4 5.767 7.791 -8.207 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.625 5.409 -8.437 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.302 5.721 -9.546 1.00 0.00 H +ATOM 64 HD1 PHE A 4 9.643 6.709 -8.458 1.00 0.00 H +ATOM 65 HD2 PHE A 4 6.468 7.504 -11.168 1.00 0.00 H +ATOM 66 HE1 PHE A 4 11.156 8.076 -9.811 1.00 0.00 H +ATOM 67 HE2 PHE A 4 7.970 8.868 -12.532 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.331 9.159 -11.855 1.00 0.00 H +ATOM 69 N LEU A 5 4.198 5.797 -7.591 1.00 0.00 N +ATOM 70 CA LEU A 5 3.247 4.892 -6.967 1.00 0.00 C +ATOM 71 C LEU A 5 2.854 3.845 -8.008 1.00 0.00 C +ATOM 72 O LEU A 5 2.545 4.203 -9.158 1.00 0.00 O +ATOM 73 CB LEU A 5 2.003 5.698 -6.493 1.00 0.00 C +ATOM 74 CG LEU A 5 1.074 5.081 -5.400 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.433 3.777 -5.821 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.814 4.904 -4.096 1.00 0.00 C +ATOM 77 H LEU A 5 3.960 6.233 -8.438 1.00 0.00 H +ATOM 78 HA LEU A 5 3.722 4.415 -6.123 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.348 6.652 -6.126 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.400 5.887 -7.369 1.00 0.00 H +ATOM 81 HG LEU A 5 0.267 5.776 -5.220 1.00 0.00 H +ATOM 82 HD11 LEU A 5 1.207 3.090 -6.132 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.270 3.941 -6.625 1.00 0.00 H +ATOM 84 HD13 LEU A 5 -0.076 3.356 -4.966 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.194 5.855 -3.755 1.00 0.00 H +ATOM 86 HD22 LEU A 5 2.626 4.208 -4.239 1.00 0.00 H +ATOM 87 HD23 LEU A 5 1.137 4.502 -3.358 1.00 0.00 H +ATOM 88 N ASP A 6 2.900 2.579 -7.651 1.00 0.00 N +ATOM 89 CA ASP A 6 2.462 1.524 -8.559 1.00 0.00 C +ATOM 90 C ASP A 6 1.813 0.400 -7.757 1.00 0.00 C +ATOM 91 O ASP A 6 2.045 0.295 -6.553 1.00 0.00 O +ATOM 92 CB ASP A 6 3.621 1.012 -9.429 1.00 0.00 C +ATOM 93 CG ASP A 6 3.127 0.242 -10.630 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.322 0.805 -11.406 1.00 0.00 O +ATOM 95 OD2 ASP A 6 3.544 -0.908 -10.854 1.00 0.00 O +ATOM 96 H ASP A 6 3.227 2.332 -6.755 1.00 0.00 H +ATOM 97 HA ASP A 6 1.698 1.953 -9.190 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.202 1.853 -9.776 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.251 0.364 -8.838 1.00 0.00 H +ATOM 100 N PHE A 7 0.987 -0.408 -8.392 1.00 0.00 N +ATOM 101 CA PHE A 7 0.242 -1.444 -7.685 1.00 0.00 C +ATOM 102 C PHE A 7 0.602 -2.845 -8.178 1.00 0.00 C +ATOM 103 O PHE A 7 0.854 -3.057 -9.377 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.268 -1.252 -7.882 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.849 0.057 -7.410 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -1.851 1.173 -8.235 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.415 0.162 -6.154 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.401 2.365 -7.810 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.971 1.350 -5.725 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.963 2.453 -6.554 1.00 0.00 C +ATOM 111 H PHE A 7 0.874 -0.333 -9.364 1.00 0.00 H +ATOM 112 HA PHE A 7 0.457 -1.363 -6.630 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.485 -1.328 -8.938 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.782 -2.052 -7.369 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.411 1.107 -9.220 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.420 -0.698 -5.502 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.394 3.228 -8.460 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.408 1.416 -4.740 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.400 3.382 -6.217 1.00 0.00 H +ATOM 120 N ASP A 8 0.618 -3.783 -7.253 1.00 0.00 N +ATOM 121 CA ASP A 8 0.805 -5.209 -7.535 1.00 0.00 C +ATOM 122 C ASP A 8 -0.510 -5.776 -8.019 1.00 0.00 C +ATOM 123 O ASP A 8 -1.557 -5.188 -7.736 1.00 0.00 O +ATOM 124 CB ASP A 8 1.235 -5.974 -6.270 1.00 0.00 C +ATOM 125 CG ASP A 8 1.545 -7.428 -6.557 1.00 0.00 C +ATOM 126 OD1 ASP A 8 2.670 -7.713 -7.011 1.00 0.00 O +ATOM 127 OD2 ASP A 8 0.651 -8.307 -6.387 1.00 0.00 O +ATOM 128 H ASP A 8 0.513 -3.516 -6.311 1.00 0.00 H +ATOM 129 HA ASP A 8 1.556 -5.318 -8.302 1.00 0.00 H +ATOM 130 HB2 ASP A 8 2.123 -5.513 -5.861 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.439 -5.928 -5.542 1.00 0.00 H +ATOM 132 N GLU A 9 -0.476 -6.870 -8.772 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.694 -7.502 -9.256 1.00 0.00 C +ATOM 134 C GLU A 9 -2.660 -7.812 -8.097 1.00 0.00 C +ATOM 135 O GLU A 9 -3.860 -7.625 -8.240 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.418 -8.786 -10.053 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.741 -9.881 -9.254 1.00 0.00 C +ATOM 138 CD GLU A 9 -0.852 -11.221 -9.908 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -1.903 -11.856 -9.774 1.00 0.00 O +ATOM 140 OE2 GLU A 9 0.107 -11.675 -10.549 1.00 0.00 O +ATOM 141 H GLU A 9 0.393 -7.262 -9.003 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.180 -6.786 -9.903 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.355 -9.175 -10.424 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.789 -8.542 -10.898 1.00 0.00 H +ATOM 145 HG2 GLU A 9 0.305 -9.637 -9.145 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -1.200 -9.930 -8.278 1.00 0.00 H +ATOM 147 N ARG A 10 -2.125 -8.240 -6.932 1.00 0.00 N +ATOM 148 CA ARG A 10 -2.971 -8.529 -5.775 1.00 0.00 C +ATOM 149 C ARG A 10 -3.670 -7.282 -5.330 1.00 0.00 C +ATOM 150 O ARG A 10 -4.878 -7.284 -5.109 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.185 -9.136 -4.600 1.00 0.00 C +ATOM 152 CG ARG A 10 -1.736 -10.574 -4.804 1.00 0.00 C +ATOM 153 CD ARG A 10 -2.930 -11.498 -5.037 1.00 0.00 C +ATOM 154 NE ARG A 10 -3.909 -11.465 -3.934 1.00 0.00 N +ATOM 155 CZ ARG A 10 -5.243 -11.324 -4.071 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -5.813 -11.327 -5.279 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -5.994 -11.253 -2.987 1.00 0.00 N +ATOM 158 H ARG A 10 -1.144 -8.333 -6.853 1.00 0.00 H +ATOM 159 HA ARG A 10 -3.727 -9.231 -6.096 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.304 -8.535 -4.427 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -2.805 -9.099 -3.715 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -1.085 -10.618 -5.665 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -1.200 -10.902 -3.925 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -3.422 -11.194 -5.946 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -2.570 -12.509 -5.151 1.00 0.00 H +ATOM 166 HE ARG A 10 -3.543 -11.548 -3.020 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -5.277 -11.444 -6.119 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -6.805 -11.212 -5.401 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -5.555 -11.312 -2.083 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -6.992 -11.148 -3.003 1.00 0.00 H +ATOM 171 N ALA A 11 -2.914 -6.211 -5.260 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.432 -4.930 -4.873 1.00 0.00 C +ATOM 173 C ALA A 11 -4.482 -4.454 -5.856 1.00 0.00 C +ATOM 174 O ALA A 11 -5.521 -4.014 -5.452 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.318 -3.912 -4.770 1.00 0.00 C +ATOM 176 H ALA A 11 -1.964 -6.301 -5.483 1.00 0.00 H +ATOM 177 HA ALA A 11 -3.884 -5.036 -3.897 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.854 -3.790 -5.737 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.581 -4.255 -4.060 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -2.723 -2.966 -4.443 1.00 0.00 H +ATOM 181 N LEU A 12 -4.214 -4.609 -7.144 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.112 -4.141 -8.195 1.00 0.00 C +ATOM 183 C LEU A 12 -6.448 -4.839 -8.170 1.00 0.00 C +ATOM 184 O LEU A 12 -7.493 -4.193 -8.265 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.462 -4.293 -9.562 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.391 -3.270 -9.904 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -2.686 -3.661 -11.189 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.023 -1.885 -10.050 1.00 0.00 C +ATOM 189 H LEU A 12 -3.387 -5.073 -7.408 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.286 -3.091 -8.023 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.018 -5.276 -9.605 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.238 -4.238 -10.309 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.662 -3.228 -9.109 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -2.200 -4.616 -11.056 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -1.949 -2.912 -11.442 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -3.412 -3.737 -11.984 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -3.265 -1.165 -10.325 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -4.481 -1.578 -9.121 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.779 -1.915 -10.820 1.00 0.00 H +ATOM 200 N LYS A 13 -6.418 -6.134 -8.028 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.626 -6.928 -8.004 1.00 0.00 C +ATOM 202 C LYS A 13 -8.493 -6.557 -6.807 1.00 0.00 C +ATOM 203 O LYS A 13 -9.705 -6.350 -6.947 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.247 -8.400 -8.001 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.545 -8.805 -9.281 1.00 0.00 C +ATOM 206 CD LYS A 13 -5.806 -10.115 -9.145 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.182 -10.502 -10.481 1.00 0.00 C +ATOM 208 NZ LYS A 13 -4.444 -11.783 -10.440 1.00 0.00 N +ATOM 209 H LYS A 13 -5.547 -6.581 -7.939 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.173 -6.711 -8.908 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -6.594 -8.596 -7.164 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.144 -8.993 -7.905 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.278 -8.903 -10.068 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -5.841 -8.029 -9.546 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.029 -9.945 -8.410 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -6.482 -10.883 -8.804 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -5.972 -10.587 -11.210 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -4.509 -9.713 -10.786 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -4.200 -12.061 -11.412 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -4.988 -12.556 -10.013 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -3.532 -11.700 -9.931 1.00 0.00 H +ATOM 222 N GLU A 14 -7.869 -6.409 -5.666 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.559 -6.023 -4.452 1.00 0.00 C +ATOM 224 C GLU A 14 -9.029 -4.550 -4.524 1.00 0.00 C +ATOM 225 O GLU A 14 -10.120 -4.220 -4.085 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.651 -6.271 -3.256 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.243 -7.737 -3.105 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.394 -8.642 -2.744 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -8.666 -8.816 -1.544 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -9.053 -9.202 -3.640 1.00 0.00 O +ATOM 231 H GLU A 14 -6.902 -6.576 -5.620 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.431 -6.653 -4.367 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.757 -5.676 -3.369 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.166 -5.968 -2.356 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -6.861 -8.063 -4.061 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.457 -7.840 -2.373 1.00 0.00 H +ATOM 237 N TRP A 15 -8.201 -3.705 -5.118 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.456 -2.262 -5.298 1.00 0.00 C +ATOM 239 C TRP A 15 -9.680 -2.037 -6.184 1.00 0.00 C +ATOM 240 O TRP A 15 -10.548 -1.213 -5.875 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.200 -1.628 -5.932 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.242 -0.162 -6.219 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.608 0.429 -7.389 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.848 0.895 -5.342 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.498 1.788 -7.284 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.027 2.102 -6.039 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.371 0.940 -4.030 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.742 3.337 -5.475 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.088 2.166 -3.472 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.274 3.347 -4.192 1.00 0.00 C +ATOM 251 H TRP A 15 -7.341 -4.055 -5.442 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.628 -1.813 -4.330 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.359 -1.793 -5.274 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.003 -2.142 -6.862 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -7.946 -0.115 -8.260 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.718 2.421 -8.003 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.222 0.035 -3.459 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.880 4.260 -6.017 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.715 2.223 -2.460 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.037 4.285 -3.713 1.00 0.00 H +ATOM 261 N ARG A 16 -9.758 -2.774 -7.274 1.00 0.00 N +ATOM 262 CA ARG A 16 -10.884 -2.647 -8.184 1.00 0.00 C +ATOM 263 C ARG A 16 -12.131 -3.248 -7.565 1.00 0.00 C +ATOM 264 O ARG A 16 -13.245 -2.825 -7.859 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.577 -3.286 -9.533 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.404 -2.638 -10.241 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.111 -3.297 -11.569 1.00 0.00 C +ATOM 268 NE ARG A 16 -10.187 -3.096 -12.549 1.00 0.00 N +ATOM 269 CZ ARG A 16 -10.115 -3.461 -13.837 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -9.014 -4.053 -14.307 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -11.136 -3.223 -14.652 1.00 0.00 N +ATOM 272 H ARG A 16 -9.027 -3.404 -7.474 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.060 -1.591 -8.325 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.342 -4.328 -9.377 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.445 -3.210 -10.170 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -9.647 -1.600 -10.416 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.532 -2.705 -9.607 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -8.190 -2.897 -11.964 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -8.999 -4.355 -11.388 1.00 0.00 H +ATOM 280 HE ARG A 16 -10.994 -2.646 -12.206 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.216 -4.246 -13.730 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -8.917 -4.328 -15.267 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -11.975 -2.766 -14.344 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -11.112 -3.483 -15.621 1.00 0.00 H +ATOM 285 N LYS A 17 -11.930 -4.205 -6.688 1.00 0.00 N +ATOM 286 CA LYS A 17 -13.015 -4.854 -5.975 1.00 0.00 C +ATOM 287 C LYS A 17 -13.570 -3.898 -4.905 1.00 0.00 C +ATOM 288 O LYS A 17 -14.778 -3.848 -4.665 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.489 -6.134 -5.328 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.544 -7.025 -4.702 1.00 0.00 C +ATOM 291 CD LYS A 17 -12.910 -8.259 -4.076 1.00 0.00 C +ATOM 292 CE LYS A 17 -12.134 -7.933 -2.806 1.00 0.00 C +ATOM 293 NZ LYS A 17 -11.424 -9.115 -2.288 1.00 0.00 N +ATOM 294 H LYS A 17 -11.008 -4.495 -6.522 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.793 -5.102 -6.683 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -11.969 -6.710 -6.080 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.780 -5.849 -4.566 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -14.058 -6.468 -3.934 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -14.247 -7.333 -5.461 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -13.683 -8.972 -3.836 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -12.230 -8.688 -4.798 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -11.409 -7.161 -3.018 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -12.824 -7.581 -2.055 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -12.027 -9.957 -2.208 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -11.022 -8.927 -1.349 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -10.606 -9.350 -2.896 1.00 0.00 H +ATOM 307 N LEU A 18 -12.667 -3.166 -4.273 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.982 -2.155 -3.255 1.00 0.00 C +ATOM 309 C LEU A 18 -13.926 -1.083 -3.790 1.00 0.00 C +ATOM 310 O LEU A 18 -13.920 -0.774 -4.997 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.694 -1.475 -2.783 1.00 0.00 C +ATOM 312 CG LEU A 18 -11.288 -1.677 -1.327 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -11.060 -3.146 -1.007 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -10.049 -0.865 -1.025 1.00 0.00 C +ATOM 315 H LEU A 18 -11.722 -3.330 -4.482 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.438 -2.647 -2.409 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.885 -1.827 -3.406 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.810 -0.415 -2.954 1.00 0.00 H +ATOM 319 HG LEU A 18 -12.078 -1.310 -0.689 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -10.271 -3.533 -1.634 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -11.970 -3.698 -1.187 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.781 -3.246 0.030 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.244 -1.170 -1.676 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -9.764 -1.017 0.005 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -10.272 0.180 -1.187 1.00 0.00 H +ATOM 326 N GLY A 19 -14.720 -0.521 -2.897 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.640 0.531 -3.254 1.00 0.00 C +ATOM 328 C GLY A 19 -14.904 1.763 -3.712 1.00 0.00 C +ATOM 329 O GLY A 19 -13.835 2.077 -3.170 1.00 0.00 O +ATOM 330 H GLY A 19 -14.685 -0.818 -1.962 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.275 0.183 -4.054 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.248 0.781 -2.397 1.00 0.00 H +ATOM 333 N SER A 20 -15.476 2.455 -4.684 1.00 0.00 N +ATOM 334 CA SER A 20 -14.890 3.626 -5.319 1.00 0.00 C +ATOM 335 C SER A 20 -14.403 4.662 -4.283 1.00 0.00 C +ATOM 336 O SER A 20 -13.264 5.091 -4.316 1.00 0.00 O +ATOM 337 CB SER A 20 -15.939 4.250 -6.245 1.00 0.00 C +ATOM 338 OG SER A 20 -16.527 3.254 -7.087 1.00 0.00 O +ATOM 339 H SER A 20 -16.361 2.174 -5.001 1.00 0.00 H +ATOM 340 HA SER A 20 -14.055 3.302 -5.922 1.00 0.00 H +ATOM 341 HB2 SER A 20 -16.714 4.704 -5.645 1.00 0.00 H +ATOM 342 HB3 SER A 20 -15.473 5.002 -6.863 1.00 0.00 H +ATOM 343 HG SER A 20 -17.488 3.337 -7.008 1.00 0.00 H +ATOM 344 N THR A 21 -15.256 5.001 -3.355 1.00 0.00 N +ATOM 345 CA THR A 21 -14.968 5.986 -2.332 1.00 0.00 C +ATOM 346 C THR A 21 -13.909 5.468 -1.346 1.00 0.00 C +ATOM 347 O THR A 21 -13.005 6.205 -0.941 1.00 0.00 O +ATOM 348 CB THR A 21 -16.267 6.356 -1.586 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.261 6.736 -2.558 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.041 7.522 -0.627 1.00 0.00 C +ATOM 351 H THR A 21 -16.128 4.553 -3.340 1.00 0.00 H +ATOM 352 HA THR A 21 -14.587 6.872 -2.817 1.00 0.00 H +ATOM 353 HB THR A 21 -16.603 5.490 -1.034 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.284 7.701 -2.586 1.00 0.00 H +ATOM 355 HG21 THR A 21 -15.710 8.389 -1.180 1.00 0.00 H +ATOM 356 HG22 THR A 21 -15.286 7.253 0.097 1.00 0.00 H +ATOM 357 HG23 THR A 21 -16.964 7.754 -0.115 1.00 0.00 H +ATOM 358 N VAL A 22 -13.984 4.185 -1.033 1.00 0.00 N +ATOM 359 CA VAL A 22 -13.072 3.580 -0.081 1.00 0.00 C +ATOM 360 C VAL A 22 -11.672 3.568 -0.665 1.00 0.00 C +ATOM 361 O VAL A 22 -10.711 4.017 -0.028 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.506 2.128 0.274 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -12.519 1.485 1.236 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.901 2.117 0.879 1.00 0.00 C +ATOM 365 H VAL A 22 -14.647 3.621 -1.481 1.00 0.00 H +ATOM 366 HA VAL A 22 -13.076 4.180 0.818 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.527 1.554 -0.641 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -12.836 0.477 1.463 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -12.477 2.059 2.149 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -11.539 1.458 0.782 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.896 2.699 1.788 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -15.186 1.102 1.108 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -15.605 2.543 0.180 1.00 0.00 H +ATOM 374 N ARG A 23 -11.570 3.127 -1.901 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.298 3.108 -2.563 1.00 0.00 C +ATOM 376 C ARG A 23 -9.801 4.507 -2.853 1.00 0.00 C +ATOM 377 O ARG A 23 -8.629 4.754 -2.780 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.274 2.247 -3.818 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.297 2.609 -4.867 1.00 0.00 C +ATOM 380 CD ARG A 23 -10.960 1.936 -6.163 1.00 0.00 C +ATOM 381 NE ARG A 23 -11.899 2.275 -7.230 1.00 0.00 N +ATOM 382 CZ ARG A 23 -12.666 1.395 -7.891 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.719 0.115 -7.504 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.394 1.802 -8.921 1.00 0.00 N +ATOM 385 H ARG A 23 -12.379 2.799 -2.357 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.609 2.684 -1.847 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.295 2.331 -4.266 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.427 1.218 -3.530 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.244 2.219 -4.520 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.398 3.678 -4.990 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -9.972 2.282 -6.434 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -10.941 0.867 -6.013 1.00 0.00 H +ATOM 393 HE ARG A 23 -11.892 3.229 -7.477 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -12.195 -0.227 -6.715 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -13.285 -0.568 -7.978 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -13.399 2.754 -9.243 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -13.993 1.177 -9.431 1.00 0.00 H +ATOM 398 N GLU A 24 -10.692 5.425 -3.182 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.275 6.787 -3.435 1.00 0.00 C +ATOM 400 C GLU A 24 -9.746 7.505 -2.219 1.00 0.00 C +ATOM 401 O GLU A 24 -8.871 8.342 -2.346 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.286 7.612 -4.187 1.00 0.00 C +ATOM 403 CG GLU A 24 -11.342 7.258 -5.655 1.00 0.00 C +ATOM 404 CD GLU A 24 -12.139 8.238 -6.438 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -11.613 9.328 -6.741 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -13.299 7.960 -6.764 1.00 0.00 O +ATOM 407 H GLU A 24 -11.641 5.182 -3.274 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.414 6.666 -4.077 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.256 7.424 -3.749 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.039 8.658 -4.085 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -10.338 7.243 -6.051 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -11.788 6.281 -5.762 1.00 0.00 H +ATOM 413 N GLN A 25 -10.246 7.191 -1.040 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.703 7.774 0.138 1.00 0.00 C +ATOM 415 C GLN A 25 -8.315 7.199 0.402 1.00 0.00 C +ATOM 416 O GLN A 25 -7.423 7.899 0.866 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.645 7.632 1.315 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.518 8.869 1.648 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.575 9.302 0.607 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -13.616 9.831 0.982 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -12.322 9.137 -0.660 1.00 0.00 N +ATOM 422 H GLN A 25 -10.979 6.549 -0.903 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.561 8.821 -0.080 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -11.304 6.795 1.136 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -10.025 7.416 2.167 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -12.050 8.665 2.566 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -10.850 9.699 1.824 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -11.468 8.734 -0.917 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -12.997 9.418 -1.317 1.00 0.00 H +ATOM 430 N LEU A 26 -8.140 5.931 0.068 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.832 5.295 0.118 1.00 0.00 C +ATOM 432 C LEU A 26 -5.904 5.944 -0.920 1.00 0.00 C +ATOM 433 O LEU A 26 -4.746 6.216 -0.635 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.952 3.790 -0.129 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.701 2.987 0.944 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.853 1.556 0.514 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.964 3.054 2.271 1.00 0.00 C +ATOM 438 H LEU A 26 -8.915 5.400 -0.214 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.418 5.470 1.101 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.461 3.652 -1.071 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.953 3.387 -0.219 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.698 3.376 1.082 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -6.875 1.122 0.372 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.405 1.511 -0.414 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.381 1.003 1.277 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -5.960 2.675 2.144 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -7.483 2.443 2.995 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -6.926 4.075 2.619 1.00 0.00 H +ATOM 449 N LYS A 27 -6.449 6.203 -2.118 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.746 6.917 -3.197 1.00 0.00 C +ATOM 451 C LYS A 27 -5.255 8.271 -2.681 1.00 0.00 C +ATOM 452 O LYS A 27 -4.116 8.654 -2.897 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.727 7.174 -4.350 1.00 0.00 C +ATOM 454 CG LYS A 27 -6.148 7.933 -5.541 1.00 0.00 C +ATOM 455 CD LYS A 27 -7.251 8.533 -6.426 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.985 9.675 -5.703 1.00 0.00 C +ATOM 457 NZ LYS A 27 -9.038 10.312 -6.535 1.00 0.00 N +ATOM 458 H LYS A 27 -7.350 5.851 -2.294 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.920 6.324 -3.557 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -7.097 6.223 -4.706 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.554 7.741 -3.951 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.530 8.734 -5.164 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -5.546 7.257 -6.130 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -6.807 8.920 -7.331 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.963 7.760 -6.675 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -8.451 9.289 -4.808 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -7.253 10.421 -5.420 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -9.849 9.688 -6.741 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -8.657 10.644 -7.444 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -9.411 11.145 -6.038 1.00 0.00 H +ATOM 471 N LYS A 28 -6.135 8.959 -1.964 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.833 10.244 -1.343 1.00 0.00 C +ATOM 473 C LYS A 28 -4.658 10.121 -0.382 1.00 0.00 C +ATOM 474 O LYS A 28 -3.796 11.011 -0.318 1.00 0.00 O +ATOM 475 CB LYS A 28 -7.083 10.786 -0.637 1.00 0.00 C +ATOM 476 CG LYS A 28 -8.133 11.359 -1.599 1.00 0.00 C +ATOM 477 CD LYS A 28 -9.545 11.460 -0.987 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.571 12.018 0.426 1.00 0.00 C +ATOM 479 NZ LYS A 28 -9.062 13.400 0.529 1.00 0.00 N +ATOM 480 H LYS A 28 -7.037 8.581 -1.870 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.556 10.927 -2.131 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -7.535 9.986 -0.069 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.778 11.570 0.043 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.828 12.340 -1.930 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -8.185 10.690 -2.446 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -10.127 12.122 -1.610 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -10.010 10.487 -1.000 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -10.597 11.996 0.763 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -8.985 11.361 1.051 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -8.117 13.503 0.112 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -8.967 13.640 1.539 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -9.713 14.088 0.103 1.00 0.00 H +ATOM 493 N LYS A 29 -4.603 9.012 0.327 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.509 8.738 1.233 1.00 0.00 C +ATOM 495 C LYS A 29 -2.219 8.459 0.500 1.00 0.00 C +ATOM 496 O LYS A 29 -1.147 8.837 0.955 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.831 7.625 2.221 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.386 8.118 3.548 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.679 8.878 3.396 1.00 0.00 C +ATOM 500 CE LYS A 29 -6.095 9.471 4.715 1.00 0.00 C +ATOM 501 NZ LYS A 29 -5.122 10.475 5.191 1.00 0.00 N +ATOM 502 H LYS A 29 -5.324 8.350 0.235 1.00 0.00 H +ATOM 503 HA LYS A 29 -3.379 9.654 1.786 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.557 6.963 1.773 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.925 7.071 2.413 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.569 7.267 4.188 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.652 8.759 4.012 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -5.539 9.672 2.677 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.448 8.205 3.047 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -7.076 9.912 4.635 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -6.106 8.648 5.417 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -5.497 11.026 5.986 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -4.829 11.139 4.437 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.248 10.017 5.516 1.00 0.00 H +ATOM 515 N LEU A 30 -2.323 7.819 -0.631 1.00 0.00 N +ATOM 516 CA LEU A 30 -1.166 7.535 -1.448 1.00 0.00 C +ATOM 517 C LEU A 30 -0.575 8.837 -1.971 1.00 0.00 C +ATOM 518 O LEU A 30 0.635 9.037 -1.953 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.547 6.610 -2.602 1.00 0.00 C +ATOM 520 CG LEU A 30 -2.161 5.269 -2.192 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.535 4.455 -3.409 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.213 4.491 -1.286 1.00 0.00 C +ATOM 523 H LEU A 30 -3.210 7.511 -0.920 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.438 7.040 -0.824 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.254 7.132 -3.230 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.655 6.410 -3.178 1.00 0.00 H +ATOM 527 HG LEU A 30 -3.069 5.464 -1.640 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -3.262 4.997 -3.996 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -2.956 3.510 -3.099 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -1.653 4.283 -4.007 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -0.272 4.329 -1.787 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -1.657 3.537 -1.049 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -1.049 5.045 -0.374 1.00 0.00 H +ATOM 534 N VAL A 31 -1.452 9.733 -2.380 1.00 0.00 N +ATOM 535 CA VAL A 31 -1.057 11.037 -2.889 1.00 0.00 C +ATOM 536 C VAL A 31 -0.331 11.865 -1.810 1.00 0.00 C +ATOM 537 O VAL A 31 0.717 12.463 -2.083 1.00 0.00 O +ATOM 538 CB VAL A 31 -2.291 11.819 -3.437 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -1.913 13.215 -3.906 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -2.936 11.050 -4.574 1.00 0.00 C +ATOM 541 H VAL A 31 -2.404 9.489 -2.353 1.00 0.00 H +ATOM 542 HA VAL A 31 -0.365 10.875 -3.702 1.00 0.00 H +ATOM 543 HB VAL A 31 -3.019 11.907 -2.644 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -1.173 13.145 -4.689 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -1.511 13.772 -3.072 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -2.795 13.713 -4.281 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -3.784 11.604 -4.949 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -3.272 10.093 -4.197 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -2.220 10.897 -5.366 1.00 0.00 H +ATOM 550 N GLU A 32 -0.859 11.874 -0.588 1.00 0.00 N +ATOM 551 CA GLU A 32 -0.225 12.630 0.488 1.00 0.00 C +ATOM 552 C GLU A 32 1.117 11.995 0.891 1.00 0.00 C +ATOM 553 O GLU A 32 2.150 12.684 0.964 1.00 0.00 O +ATOM 554 CB GLU A 32 -1.163 12.798 1.721 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.561 11.495 2.384 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.520 11.634 3.546 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -3.735 11.799 3.315 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -2.082 11.535 4.720 1.00 0.00 O +ATOM 559 H GLU A 32 -1.686 11.371 -0.420 1.00 0.00 H +ATOM 560 HA GLU A 32 -0.013 13.605 0.077 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.657 13.402 2.460 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -2.062 13.308 1.405 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -2.006 10.881 1.619 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.659 11.009 2.726 1.00 0.00 H +ATOM 565 N VAL A 33 1.104 10.675 1.045 1.00 0.00 N +ATOM 566 CA VAL A 33 2.228 9.926 1.561 1.00 0.00 C +ATOM 567 C VAL A 33 3.461 10.022 0.670 1.00 0.00 C +ATOM 568 O VAL A 33 4.556 9.989 1.163 1.00 0.00 O +ATOM 569 CB VAL A 33 1.883 8.448 1.908 1.00 0.00 C +ATOM 570 CG1 VAL A 33 1.848 7.540 0.686 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.820 7.924 2.970 1.00 0.00 C +ATOM 572 H VAL A 33 0.290 10.174 0.808 1.00 0.00 H +ATOM 573 HA VAL A 33 2.492 10.426 2.481 1.00 0.00 H +ATOM 574 HB VAL A 33 0.886 8.449 2.323 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.143 7.941 -0.027 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.543 6.546 0.978 1.00 0.00 H +ATOM 577 HG13 VAL A 33 2.830 7.499 0.237 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.718 8.513 3.870 1.00 0.00 H +ATOM 579 HG22 VAL A 33 3.824 8.018 2.590 1.00 0.00 H +ATOM 580 HG23 VAL A 33 2.602 6.887 3.177 1.00 0.00 H +ATOM 581 N LEU A 34 3.261 10.181 -0.637 1.00 0.00 N +ATOM 582 CA LEU A 34 4.359 10.234 -1.618 1.00 0.00 C +ATOM 583 C LEU A 34 5.435 11.273 -1.285 1.00 0.00 C +ATOM 584 O LEU A 34 6.585 11.123 -1.716 1.00 0.00 O +ATOM 585 CB LEU A 34 3.828 10.490 -3.034 1.00 0.00 C +ATOM 586 CG LEU A 34 3.083 9.343 -3.716 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.547 9.794 -5.066 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.002 8.143 -3.889 1.00 0.00 C +ATOM 589 H LEU A 34 2.336 10.247 -0.959 1.00 0.00 H +ATOM 590 HA LEU A 34 4.834 9.263 -1.614 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.147 11.323 -2.968 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.653 10.781 -3.667 1.00 0.00 H +ATOM 593 HG LEU A 34 2.245 9.047 -3.103 1.00 0.00 H +ATOM 594 HD11 LEU A 34 3.366 10.134 -5.682 1.00 0.00 H +ATOM 595 HD12 LEU A 34 1.842 10.599 -4.922 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.052 8.966 -5.550 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.309 7.767 -2.925 1.00 0.00 H +ATOM 598 HD22 LEU A 34 4.876 8.446 -4.445 1.00 0.00 H +ATOM 599 HD23 LEU A 34 3.486 7.367 -4.434 1.00 0.00 H +ATOM 600 N GLU A 35 5.085 12.322 -0.541 1.00 0.00 N +ATOM 601 CA GLU A 35 6.087 13.314 -0.189 1.00 0.00 C +ATOM 602 C GLU A 35 7.006 12.800 0.941 1.00 0.00 C +ATOM 603 O GLU A 35 8.163 13.201 1.048 1.00 0.00 O +ATOM 604 CB GLU A 35 5.468 14.658 0.200 1.00 0.00 C +ATOM 605 CG GLU A 35 4.684 14.647 1.496 1.00 0.00 C +ATOM 606 CD GLU A 35 4.262 16.023 1.908 1.00 0.00 C +ATOM 607 OE1 GLU A 35 5.145 16.840 2.269 1.00 0.00 O +ATOM 608 OE2 GLU A 35 3.055 16.326 1.882 1.00 0.00 O +ATOM 609 H GLU A 35 4.157 12.408 -0.226 1.00 0.00 H +ATOM 610 HA GLU A 35 6.701 13.452 -1.068 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.258 15.388 0.294 1.00 0.00 H +ATOM 612 HB3 GLU A 35 4.803 14.970 -0.592 1.00 0.00 H +ATOM 613 HG2 GLU A 35 3.805 14.032 1.374 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.309 14.229 2.272 1.00 0.00 H +ATOM 615 N SER A 36 6.497 11.922 1.782 1.00 0.00 N +ATOM 616 CA SER A 36 7.261 11.384 2.902 1.00 0.00 C +ATOM 617 C SER A 36 6.754 9.973 3.273 1.00 0.00 C +ATOM 618 O SER A 36 6.106 9.793 4.290 1.00 0.00 O +ATOM 619 CB SER A 36 7.161 12.327 4.129 1.00 0.00 C +ATOM 620 OG SER A 36 7.572 13.662 3.805 1.00 0.00 O +ATOM 621 H SER A 36 5.589 11.574 1.643 1.00 0.00 H +ATOM 622 HA SER A 36 8.294 11.309 2.600 1.00 0.00 H +ATOM 623 HB2 SER A 36 6.137 12.357 4.473 1.00 0.00 H +ATOM 624 HB3 SER A 36 7.794 11.951 4.920 1.00 0.00 H +ATOM 625 HG SER A 36 7.892 13.633 2.892 1.00 0.00 H +ATOM 626 N PRO A 37 6.985 8.957 2.411 1.00 0.00 N +ATOM 627 CA PRO A 37 6.515 7.601 2.672 1.00 0.00 C +ATOM 628 C PRO A 37 7.500 6.783 3.488 1.00 0.00 C +ATOM 629 O PRO A 37 7.217 5.669 3.867 1.00 0.00 O +ATOM 630 CB PRO A 37 6.351 7.022 1.273 1.00 0.00 C +ATOM 631 CG PRO A 37 7.420 7.684 0.472 1.00 0.00 C +ATOM 632 CD PRO A 37 7.636 9.055 1.083 1.00 0.00 C +ATOM 633 HA PRO A 37 5.567 7.591 3.184 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.477 5.951 1.307 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.370 7.261 0.891 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.328 7.103 0.525 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.102 7.778 -0.557 1.00 0.00 H +ATOM 638 HD2 PRO A 37 8.689 9.278 1.182 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.140 9.803 0.479 1.00 0.00 H +ATOM 640 N ARG A 38 8.635 7.365 3.789 1.00 0.00 N +ATOM 641 CA ARG A 38 9.672 6.682 4.544 1.00 0.00 C +ATOM 642 C ARG A 38 9.524 6.909 6.059 1.00 0.00 C +ATOM 643 O ARG A 38 10.495 6.988 6.800 1.00 0.00 O +ATOM 644 CB ARG A 38 11.079 7.033 3.978 1.00 0.00 C +ATOM 645 CG ARG A 38 11.420 8.526 3.817 1.00 0.00 C +ATOM 646 CD ARG A 38 11.808 9.199 5.125 1.00 0.00 C +ATOM 647 NE ARG A 38 13.002 8.590 5.745 1.00 0.00 N +ATOM 648 CZ ARG A 38 13.366 8.764 7.029 1.00 0.00 C +ATOM 649 NH1 ARG A 38 12.618 9.510 7.836 1.00 0.00 N +ATOM 650 NH2 ARG A 38 14.460 8.172 7.506 1.00 0.00 N +ATOM 651 H ARG A 38 8.758 8.289 3.492 1.00 0.00 H +ATOM 652 HA ARG A 38 9.494 5.628 4.383 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.819 6.609 4.641 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.178 6.556 3.013 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.238 8.627 3.123 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.555 9.027 3.408 1.00 0.00 H +ATOM 657 HD2 ARG A 38 12.015 10.241 4.931 1.00 0.00 H +ATOM 658 HD3 ARG A 38 10.978 9.115 5.811 1.00 0.00 H +ATOM 659 HE ARG A 38 13.544 8.021 5.151 1.00 0.00 H +ATOM 660 HH11 ARG A 38 11.777 9.957 7.525 1.00 0.00 H +ATOM 661 HH12 ARG A 38 12.858 9.651 8.801 1.00 0.00 H +ATOM 662 HH21 ARG A 38 15.026 7.584 6.921 1.00 0.00 H +ATOM 663 HH22 ARG A 38 14.764 8.284 8.458 1.00 0.00 H +ATOM 664 N ILE A 39 8.288 6.930 6.507 1.00 0.00 N +ATOM 665 CA ILE A 39 7.976 7.112 7.906 1.00 0.00 C +ATOM 666 C ILE A 39 8.099 5.761 8.603 1.00 0.00 C +ATOM 667 O ILE A 39 7.200 4.912 8.512 1.00 0.00 O +ATOM 668 CB ILE A 39 6.545 7.705 8.102 1.00 0.00 C +ATOM 669 CG1 ILE A 39 6.449 9.075 7.413 1.00 0.00 C +ATOM 670 CG2 ILE A 39 6.191 7.825 9.588 1.00 0.00 C +ATOM 671 CD1 ILE A 39 5.081 9.729 7.494 1.00 0.00 C +ATOM 672 H ILE A 39 7.567 6.773 5.861 1.00 0.00 H +ATOM 673 HA ILE A 39 8.710 7.790 8.320 1.00 0.00 H +ATOM 674 HB ILE A 39 5.837 7.033 7.640 1.00 0.00 H +ATOM 675 HG12 ILE A 39 7.157 9.749 7.871 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.704 8.957 6.370 1.00 0.00 H +ATOM 677 HG21 ILE A 39 6.890 8.494 10.068 1.00 0.00 H +ATOM 678 HG22 ILE A 39 6.247 6.851 10.049 1.00 0.00 H +ATOM 679 HG23 ILE A 39 5.189 8.214 9.690 1.00 0.00 H +ATOM 680 HD11 ILE A 39 5.113 10.674 6.969 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.819 9.895 8.528 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.345 9.086 7.032 1.00 0.00 H +ATOM 683 N GLU A 40 9.224 5.571 9.282 1.00 0.00 N +ATOM 684 CA GLU A 40 9.590 4.302 9.906 1.00 0.00 C +ATOM 685 C GLU A 40 8.555 3.799 10.913 1.00 0.00 C +ATOM 686 O GLU A 40 8.456 2.598 11.155 1.00 0.00 O +ATOM 687 CB GLU A 40 10.972 4.386 10.550 1.00 0.00 C +ATOM 688 CG GLU A 40 11.068 5.385 11.679 1.00 0.00 C +ATOM 689 CD GLU A 40 12.416 5.414 12.310 1.00 0.00 C +ATOM 690 OE1 GLU A 40 12.677 4.593 13.222 1.00 0.00 O +ATOM 691 OE2 GLU A 40 13.238 6.263 11.932 1.00 0.00 O +ATOM 692 H GLU A 40 9.844 6.329 9.356 1.00 0.00 H +ATOM 693 HA GLU A 40 9.646 3.583 9.104 1.00 0.00 H +ATOM 694 HB2 GLU A 40 11.233 3.411 10.931 1.00 0.00 H +ATOM 695 HB3 GLU A 40 11.688 4.663 9.790 1.00 0.00 H +ATOM 696 HG2 GLU A 40 10.858 6.368 11.286 1.00 0.00 H +ATOM 697 HG3 GLU A 40 10.334 5.134 12.432 1.00 0.00 H +ATOM 698 N ALA A 41 7.772 4.709 11.471 1.00 0.00 N +ATOM 699 CA ALA A 41 6.723 4.357 12.420 1.00 0.00 C +ATOM 700 C ALA A 41 5.630 3.525 11.750 1.00 0.00 C +ATOM 701 O ALA A 41 4.895 2.802 12.413 1.00 0.00 O +ATOM 702 CB ALA A 41 6.120 5.613 13.032 1.00 0.00 C +ATOM 703 H ALA A 41 7.927 5.654 11.250 1.00 0.00 H +ATOM 704 HA ALA A 41 7.169 3.773 13.212 1.00 0.00 H +ATOM 705 HB1 ALA A 41 5.385 5.336 13.772 1.00 0.00 H +ATOM 706 HB2 ALA A 41 5.646 6.198 12.257 1.00 0.00 H +ATOM 707 HB3 ALA A 41 6.897 6.200 13.497 1.00 0.00 H +ATOM 708 N ASN A 42 5.537 3.622 10.437 1.00 0.00 N +ATOM 709 CA ASN A 42 4.518 2.900 9.688 1.00 0.00 C +ATOM 710 C ASN A 42 5.079 1.639 9.064 1.00 0.00 C +ATOM 711 O ASN A 42 4.370 0.936 8.341 1.00 0.00 O +ATOM 712 CB ASN A 42 3.881 3.786 8.599 1.00 0.00 C +ATOM 713 CG ASN A 42 3.069 4.944 9.155 1.00 0.00 C +ATOM 714 OD1 ASN A 42 2.488 4.859 10.244 1.00 0.00 O +ATOM 715 ND2 ASN A 42 3.022 6.033 8.422 1.00 0.00 N +ATOM 716 H ASN A 42 6.184 4.178 9.945 1.00 0.00 H +ATOM 717 HA ASN A 42 3.746 2.609 10.384 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.664 4.200 7.983 1.00 0.00 H +ATOM 719 HB3 ASN A 42 3.235 3.174 7.985 1.00 0.00 H +ATOM 720 HD21 ASN A 42 3.505 6.041 7.569 1.00 0.00 H +ATOM 721 HD22 ASN A 42 2.507 6.794 8.761 1.00 0.00 H +ATOM 722 N LYS A 43 6.343 1.344 9.347 1.00 0.00 N +ATOM 723 CA LYS A 43 6.982 0.150 8.809 1.00 0.00 C +ATOM 724 C LYS A 43 6.465 -1.096 9.464 1.00 0.00 C +ATOM 725 O LYS A 43 6.240 -1.135 10.679 1.00 0.00 O +ATOM 726 CB LYS A 43 8.513 0.196 8.909 1.00 0.00 C +ATOM 727 CG LYS A 43 9.146 1.183 7.961 1.00 0.00 C +ATOM 728 CD LYS A 43 10.685 1.255 8.028 1.00 0.00 C +ATOM 729 CE LYS A 43 11.405 0.014 7.458 1.00 0.00 C +ATOM 730 NZ LYS A 43 11.347 -1.177 8.341 1.00 0.00 N +ATOM 731 H LYS A 43 6.842 1.929 9.956 1.00 0.00 H +ATOM 732 HA LYS A 43 6.713 0.100 7.764 1.00 0.00 H +ATOM 733 HB2 LYS A 43 8.788 0.464 9.918 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.895 -0.789 8.692 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.875 0.894 6.956 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.730 2.158 8.158 1.00 0.00 H +ATOM 737 HD2 LYS A 43 11.007 2.116 7.462 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.973 1.390 9.060 1.00 0.00 H +ATOM 739 HE2 LYS A 43 10.940 -0.244 6.518 1.00 0.00 H +ATOM 740 HE3 LYS A 43 12.437 0.267 7.269 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 11.901 -1.955 7.927 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 10.382 -1.542 8.458 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 11.742 -0.976 9.281 1.00 0.00 H +ATOM 744 N LEU A 44 6.271 -2.099 8.663 1.00 0.00 N +ATOM 745 CA LEU A 44 5.803 -3.361 9.132 1.00 0.00 C +ATOM 746 C LEU A 44 6.932 -4.149 9.727 1.00 0.00 C +ATOM 747 O LEU A 44 8.054 -4.160 9.198 1.00 0.00 O +ATOM 748 CB LEU A 44 5.152 -4.167 8.020 1.00 0.00 C +ATOM 749 CG LEU A 44 3.909 -3.581 7.386 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.318 -4.554 6.396 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.900 -3.229 8.438 1.00 0.00 C +ATOM 752 H LEU A 44 6.457 -1.968 7.706 1.00 0.00 H +ATOM 753 HA LEU A 44 5.067 -3.178 9.899 1.00 0.00 H +ATOM 754 HB2 LEU A 44 5.884 -4.275 7.235 1.00 0.00 H +ATOM 755 HB3 LEU A 44 4.909 -5.146 8.402 1.00 0.00 H +ATOM 756 HG LEU A 44 4.174 -2.679 6.852 1.00 0.00 H +ATOM 757 HD11 LEU A 44 2.418 -4.129 5.979 1.00 0.00 H +ATOM 758 HD12 LEU A 44 3.079 -5.479 6.900 1.00 0.00 H +ATOM 759 HD13 LEU A 44 4.030 -4.741 5.606 1.00 0.00 H +ATOM 760 HD21 LEU A 44 2.701 -4.090 9.055 1.00 0.00 H +ATOM 761 HD22 LEU A 44 1.987 -2.921 7.950 1.00 0.00 H +ATOM 762 HD23 LEU A 44 3.275 -2.420 9.047 1.00 0.00 H +ATOM 763 N ARG A 45 6.642 -4.771 10.813 1.00 0.00 N +ATOM 764 CA ARG A 45 7.567 -5.589 11.530 1.00 0.00 C +ATOM 765 C ARG A 45 7.833 -6.900 10.783 1.00 0.00 C +ATOM 766 O ARG A 45 6.963 -7.779 10.717 1.00 0.00 O +ATOM 767 CB ARG A 45 6.990 -5.853 12.913 1.00 0.00 C +ATOM 768 CG ARG A 45 7.746 -6.848 13.744 1.00 0.00 C +ATOM 769 CD ARG A 45 7.063 -7.047 15.068 1.00 0.00 C +ATOM 770 NE ARG A 45 7.666 -8.132 15.818 1.00 0.00 N +ATOM 771 CZ ARG A 45 7.377 -8.448 17.072 1.00 0.00 C +ATOM 772 NH1 ARG A 45 6.524 -7.693 17.779 1.00 0.00 N +ATOM 773 NH2 ARG A 45 7.946 -9.511 17.620 1.00 0.00 N +ATOM 774 H ARG A 45 5.734 -4.677 11.173 1.00 0.00 H +ATOM 775 HA ARG A 45 8.492 -5.045 11.645 1.00 0.00 H +ATOM 776 HB2 ARG A 45 6.960 -4.922 13.458 1.00 0.00 H +ATOM 777 HB3 ARG A 45 5.979 -6.212 12.792 1.00 0.00 H +ATOM 778 HG2 ARG A 45 7.790 -7.791 13.218 1.00 0.00 H +ATOM 779 HG3 ARG A 45 8.745 -6.477 13.912 1.00 0.00 H +ATOM 780 HD2 ARG A 45 7.140 -6.137 15.644 1.00 0.00 H +ATOM 781 HD3 ARG A 45 6.023 -7.278 14.896 1.00 0.00 H +ATOM 782 HE ARG A 45 8.318 -8.667 15.306 1.00 0.00 H +ATOM 783 HH11 ARG A 45 6.085 -6.882 17.378 1.00 0.00 H +ATOM 784 HH12 ARG A 45 6.284 -7.879 18.733 1.00 0.00 H +ATOM 785 HH21 ARG A 45 8.593 -10.069 17.091 1.00 0.00 H +ATOM 786 HH22 ARG A 45 7.766 -9.831 18.552 1.00 0.00 H +ATOM 787 N GLY A 46 9.007 -7.003 10.193 1.00 0.00 N +ATOM 788 CA GLY A 46 9.393 -8.215 9.518 1.00 0.00 C +ATOM 789 C GLY A 46 8.995 -8.236 8.075 1.00 0.00 C +ATOM 790 O GLY A 46 8.702 -9.300 7.521 1.00 0.00 O +ATOM 791 H GLY A 46 9.631 -6.245 10.209 1.00 0.00 H +ATOM 792 HA2 GLY A 46 10.462 -8.341 9.587 1.00 0.00 H +ATOM 793 HA3 GLY A 46 8.903 -9.039 10.012 1.00 0.00 H +ATOM 794 N MET A 47 8.990 -7.090 7.458 1.00 0.00 N +ATOM 795 CA MET A 47 8.609 -6.980 6.068 1.00 0.00 C +ATOM 796 C MET A 47 9.586 -6.075 5.352 1.00 0.00 C +ATOM 797 O MET A 47 9.909 -4.999 5.856 1.00 0.00 O +ATOM 798 CB MET A 47 7.195 -6.422 5.935 1.00 0.00 C +ATOM 799 CG MET A 47 6.090 -7.331 6.476 1.00 0.00 C +ATOM 800 SD MET A 47 5.916 -8.871 5.545 1.00 0.00 S +ATOM 801 CE MET A 47 5.435 -8.238 3.937 1.00 0.00 C +ATOM 802 H MET A 47 9.284 -6.287 7.940 1.00 0.00 H +ATOM 803 HA MET A 47 8.646 -7.968 5.634 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.175 -5.487 6.472 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.003 -6.225 4.891 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.321 -7.579 7.501 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.153 -6.797 6.442 1.00 0.00 H +ATOM 808 HE1 MET A 47 6.224 -7.620 3.535 1.00 0.00 H +ATOM 809 HE2 MET A 47 4.537 -7.646 4.041 1.00 0.00 H +ATOM 810 HE3 MET A 47 5.243 -9.062 3.266 1.00 0.00 H +ATOM 811 N PRO A 48 10.082 -6.487 4.185 1.00 0.00 N +ATOM 812 CA PRO A 48 11.059 -5.709 3.423 1.00 0.00 C +ATOM 813 C PRO A 48 10.499 -4.373 2.898 1.00 0.00 C +ATOM 814 O PRO A 48 9.745 -4.341 1.899 1.00 0.00 O +ATOM 815 CB PRO A 48 11.442 -6.636 2.260 1.00 0.00 C +ATOM 816 CG PRO A 48 10.301 -7.577 2.129 1.00 0.00 C +ATOM 817 CD PRO A 48 9.747 -7.758 3.511 1.00 0.00 C +ATOM 818 HA PRO A 48 11.933 -5.501 4.022 1.00 0.00 H +ATOM 819 HB2 PRO A 48 11.583 -6.055 1.362 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.354 -7.165 2.495 1.00 0.00 H +ATOM 821 HG2 PRO A 48 9.552 -7.150 1.478 1.00 0.00 H +ATOM 822 HG3 PRO A 48 10.648 -8.521 1.736 1.00 0.00 H +ATOM 823 HD2 PRO A 48 8.677 -7.899 3.467 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.220 -8.594 4.005 1.00 0.00 H +ATOM 825 N ASP A 49 10.812 -3.296 3.628 1.00 0.00 N +ATOM 826 CA ASP A 49 10.462 -1.900 3.265 1.00 0.00 C +ATOM 827 C ASP A 49 8.959 -1.708 3.158 1.00 0.00 C +ATOM 828 O ASP A 49 8.497 -0.868 2.397 1.00 0.00 O +ATOM 829 CB ASP A 49 11.096 -1.479 1.914 1.00 0.00 C +ATOM 830 CG ASP A 49 12.599 -1.576 1.860 1.00 0.00 C +ATOM 831 OD1 ASP A 49 13.300 -0.740 2.471 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.118 -2.493 1.186 1.00 0.00 O +ATOM 833 H ASP A 49 11.296 -3.444 4.471 1.00 0.00 H +ATOM 834 HA ASP A 49 10.842 -1.250 4.038 1.00 0.00 H +ATOM 835 HB2 ASP A 49 10.698 -2.108 1.134 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.811 -0.457 1.707 1.00 0.00 H +ATOM 837 N CYS A 50 8.192 -2.428 3.940 1.00 0.00 N +ATOM 838 CA CYS A 50 6.760 -2.330 3.811 1.00 0.00 C +ATOM 839 C CYS A 50 6.184 -1.427 4.882 1.00 0.00 C +ATOM 840 O CYS A 50 6.623 -1.451 6.029 1.00 0.00 O +ATOM 841 CB CYS A 50 6.127 -3.713 3.868 1.00 0.00 C +ATOM 842 SG CYS A 50 6.785 -4.871 2.637 1.00 0.00 S +ATOM 843 H CYS A 50 8.585 -2.998 4.634 1.00 0.00 H +ATOM 844 HA CYS A 50 6.542 -1.891 2.851 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.298 -4.138 4.845 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.064 -3.623 3.700 1.00 0.00 H +ATOM 847 HG CYS A 50 7.974 -4.416 2.255 1.00 0.00 H +ATOM 848 N TYR A 51 5.203 -0.655 4.496 1.00 0.00 N +ATOM 849 CA TYR A 51 4.551 0.306 5.352 1.00 0.00 C +ATOM 850 C TYR A 51 3.055 0.120 5.198 1.00 0.00 C +ATOM 851 O TYR A 51 2.597 -0.454 4.192 1.00 0.00 O +ATOM 852 CB TYR A 51 4.903 1.755 4.938 1.00 0.00 C +ATOM 853 CG TYR A 51 6.379 2.144 4.944 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.277 1.594 4.041 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.858 3.092 5.828 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.602 1.970 4.023 1.00 0.00 C +ATOM 857 CE2 TYR A 51 8.187 3.473 5.815 1.00 0.00 C +ATOM 858 CZ TYR A 51 9.052 2.906 4.911 1.00 0.00 C +ATOM 859 OH TYR A 51 10.375 3.284 4.893 1.00 0.00 O +ATOM 860 H TYR A 51 4.872 -0.729 3.572 1.00 0.00 H +ATOM 861 HA TYR A 51 4.849 0.137 6.376 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.536 1.927 3.937 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.385 2.423 5.612 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.922 0.851 3.342 1.00 0.00 H +ATOM 865 HD2 TYR A 51 6.179 3.539 6.539 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.278 1.524 3.310 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.542 4.214 6.516 1.00 0.00 H +ATOM 868 HH TYR A 51 10.644 3.328 3.968 1.00 0.00 H +ATOM 869 N LYS A 52 2.300 0.599 6.150 1.00 0.00 N +ATOM 870 CA LYS A 52 0.858 0.483 6.109 1.00 0.00 C +ATOM 871 C LYS A 52 0.185 1.819 6.376 1.00 0.00 C +ATOM 872 O LYS A 52 0.703 2.661 7.123 1.00 0.00 O +ATOM 873 CB LYS A 52 0.365 -0.550 7.136 1.00 0.00 C +ATOM 874 CG LYS A 52 0.827 -0.258 8.558 1.00 0.00 C +ATOM 875 CD LYS A 52 0.280 -1.256 9.560 1.00 0.00 C +ATOM 876 CE LYS A 52 0.991 -1.108 10.892 1.00 0.00 C +ATOM 877 NZ LYS A 52 0.461 -2.018 11.924 1.00 0.00 N +ATOM 878 H LYS A 52 2.721 1.052 6.913 1.00 0.00 H +ATOM 879 HA LYS A 52 0.578 0.140 5.124 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.714 -0.566 7.126 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.733 -1.525 6.853 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.906 -0.281 8.592 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.482 0.731 8.823 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -0.775 -1.073 9.701 1.00 0.00 H +ATOM 885 HD3 LYS A 52 0.431 -2.259 9.190 1.00 0.00 H +ATOM 886 HE2 LYS A 52 2.039 -1.328 10.746 1.00 0.00 H +ATOM 887 HE3 LYS A 52 0.889 -0.086 11.224 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 1.028 -1.926 12.793 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 0.474 -3.019 11.642 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 -0.510 -1.738 12.165 1.00 0.00 H +ATOM 891 N ILE A 53 -0.938 2.015 5.749 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.786 3.155 5.999 1.00 0.00 C +ATOM 893 C ILE A 53 -3.158 2.625 6.346 1.00 0.00 C +ATOM 894 O ILE A 53 -3.605 1.635 5.755 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.898 4.120 4.767 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.527 4.714 4.409 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -2.920 5.242 5.029 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.552 5.662 3.224 1.00 0.00 C +ATOM 899 H ILE A 53 -1.227 1.354 5.079 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.386 3.690 6.848 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.258 3.538 3.930 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.154 5.267 5.257 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.159 3.910 4.182 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -2.963 5.903 4.177 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.635 5.809 5.901 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.901 4.821 5.195 1.00 0.00 H +ATOM 907 HD11 ILE A 53 0.451 6.005 3.018 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -1.172 6.512 3.466 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -0.953 5.156 2.357 1.00 0.00 H +ATOM 910 N LYS A 54 -3.799 3.229 7.308 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.129 2.840 7.661 1.00 0.00 C +ATOM 912 C LYS A 54 -6.080 3.972 7.347 1.00 0.00 C +ATOM 913 O LYS A 54 -5.816 5.139 7.678 1.00 0.00 O +ATOM 914 CB LYS A 54 -5.293 2.347 9.130 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.996 3.367 10.220 1.00 0.00 C +ATOM 916 CD LYS A 54 -3.512 3.586 10.427 1.00 0.00 C +ATOM 917 CE LYS A 54 -3.289 4.777 11.303 1.00 0.00 C +ATOM 918 NZ LYS A 54 -1.860 5.025 11.563 1.00 0.00 N +ATOM 919 H LYS A 54 -3.378 3.992 7.757 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.363 2.028 6.992 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -6.310 2.013 9.266 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.637 1.500 9.272 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -5.449 4.308 9.945 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -5.432 3.021 11.146 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -3.096 2.715 10.912 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -3.013 3.741 9.484 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -3.710 5.621 10.777 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -3.818 4.624 12.231 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -1.336 5.155 10.675 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -1.451 4.238 12.109 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -1.768 5.884 12.142 1.00 0.00 H +ATOM 932 N LEU A 55 -7.145 3.650 6.674 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.119 4.622 6.294 1.00 0.00 C +ATOM 934 C LEU A 55 -8.993 4.977 7.468 1.00 0.00 C +ATOM 935 O LEU A 55 -9.952 4.252 7.809 1.00 0.00 O +ATOM 936 CB LEU A 55 -8.946 4.159 5.082 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.951 5.166 4.508 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -9.291 6.512 4.291 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -10.498 4.631 3.196 1.00 0.00 C +ATOM 940 H LEU A 55 -7.267 2.705 6.424 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.560 5.502 6.013 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.257 3.892 4.296 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.488 3.271 5.374 1.00 0.00 H +ATOM 944 HG LEU A 55 -10.792 5.353 5.154 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -8.810 6.823 5.206 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -10.060 7.238 4.081 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -8.565 6.458 3.493 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.243 5.313 2.814 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -10.942 3.660 3.359 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -9.692 4.546 2.483 1.00 0.00 H +ATOM 951 N ARG A 56 -8.614 6.066 8.101 1.00 0.00 N +ATOM 952 CA ARG A 56 -9.273 6.629 9.262 1.00 0.00 C +ATOM 953 C ARG A 56 -10.648 7.179 8.871 1.00 0.00 C +ATOM 954 O ARG A 56 -10.807 8.385 8.647 1.00 0.00 O +ATOM 955 CB ARG A 56 -8.390 7.749 9.837 1.00 0.00 C +ATOM 956 CG ARG A 56 -6.982 7.299 10.239 1.00 0.00 C +ATOM 957 CD ARG A 56 -6.063 8.491 10.517 1.00 0.00 C +ATOM 958 NE ARG A 56 -6.600 9.387 11.542 1.00 0.00 N +ATOM 959 CZ ARG A 56 -6.337 10.700 11.631 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -5.404 11.258 10.860 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -6.969 11.441 12.529 1.00 0.00 N +ATOM 962 H ARG A 56 -7.809 6.510 7.759 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.388 5.855 10.007 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -8.290 8.518 9.086 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -8.874 8.170 10.707 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -7.047 6.688 11.126 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -6.566 6.714 9.432 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -5.104 8.120 10.850 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -5.931 9.045 9.599 1.00 0.00 H +ATOM 970 HE ARG A 56 -7.216 8.949 12.171 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -4.863 10.733 10.197 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -5.199 12.240 10.919 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -7.648 11.082 13.172 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -6.789 12.429 12.594 1.00 0.00 H +ATOM 975 N SER A 57 -11.599 6.268 8.740 1.00 0.00 N +ATOM 976 CA SER A 57 -12.963 6.534 8.318 1.00 0.00 C +ATOM 977 C SER A 57 -13.667 5.187 8.125 1.00 0.00 C +ATOM 978 O SER A 57 -14.744 4.951 8.659 1.00 0.00 O +ATOM 979 CB SER A 57 -12.990 7.328 6.974 1.00 0.00 C +ATOM 980 OG SER A 57 -14.309 7.689 6.588 1.00 0.00 O +ATOM 981 H SER A 57 -11.372 5.341 8.972 1.00 0.00 H +ATOM 982 HA SER A 57 -13.460 7.101 9.090 1.00 0.00 H +ATOM 983 HB2 SER A 57 -12.409 8.231 7.083 1.00 0.00 H +ATOM 984 HB3 SER A 57 -12.553 6.716 6.197 1.00 0.00 H +ATOM 985 HG SER A 57 -14.709 8.147 7.338 1.00 0.00 H +ATOM 986 N SER A 58 -13.028 4.293 7.383 1.00 0.00 N +ATOM 987 CA SER A 58 -13.633 3.015 7.061 1.00 0.00 C +ATOM 988 C SER A 58 -12.927 1.835 7.752 1.00 0.00 C +ATOM 989 O SER A 58 -13.533 0.790 7.965 1.00 0.00 O +ATOM 990 CB SER A 58 -13.663 2.837 5.543 1.00 0.00 C +ATOM 991 OG SER A 58 -14.294 3.957 4.925 1.00 0.00 O +ATOM 992 H SER A 58 -12.143 4.510 7.025 1.00 0.00 H +ATOM 993 HA SER A 58 -14.652 3.042 7.416 1.00 0.00 H +ATOM 994 HB2 SER A 58 -12.651 2.759 5.173 1.00 0.00 H +ATOM 995 HB3 SER A 58 -14.214 1.943 5.294 1.00 0.00 H +ATOM 996 HG SER A 58 -14.993 4.258 5.522 1.00 0.00 H +ATOM 997 N GLY A 59 -11.666 2.008 8.121 1.00 0.00 N +ATOM 998 CA GLY A 59 -10.949 0.927 8.788 1.00 0.00 C +ATOM 999 C GLY A 59 -10.233 0.014 7.812 1.00 0.00 C +ATOM 1000 O GLY A 59 -9.879 -1.129 8.140 1.00 0.00 O +ATOM 1001 H GLY A 59 -11.210 2.866 7.980 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.222 1.353 9.465 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.656 0.342 9.358 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.026 0.500 6.615 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.308 -0.251 5.609 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.833 0.012 5.721 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.426 1.067 6.173 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.824 0.058 4.200 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.094 -0.677 3.856 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.309 -0.331 4.429 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.072 -1.732 2.959 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.462 -1.018 4.116 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.216 -2.420 2.639 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.405 -2.062 3.219 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.538 -2.755 2.912 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.345 1.401 6.409 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.476 -1.298 5.818 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.031 1.115 4.118 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.069 -0.216 3.477 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.344 0.490 5.130 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.132 -2.013 2.505 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.401 -0.740 4.569 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.178 -3.239 1.937 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.214 -2.105 2.688 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.045 -0.950 5.357 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.613 -0.844 5.420 1.00 0.00 C +ATOM 1027 C ARG A 61 -5.025 -1.093 4.061 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.572 -1.860 3.256 1.00 0.00 O +ATOM 1029 CB ARG A 61 -4.981 -1.824 6.434 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.086 -1.443 7.916 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.505 -1.480 8.468 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.506 -1.191 9.902 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -7.392 -1.636 10.793 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -8.544 -2.168 10.396 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.158 -1.463 12.085 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.416 -1.773 4.964 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.373 0.165 5.717 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.460 -2.785 6.313 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -3.936 -1.935 6.184 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.486 -2.130 8.493 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -4.688 -0.446 8.038 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -7.101 -0.738 7.954 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.926 -2.461 8.304 1.00 0.00 H +ATOM 1044 HE ARG A 61 -5.725 -0.673 10.209 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -8.795 -2.232 9.428 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -9.211 -2.548 11.043 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -6.326 -0.998 12.400 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -7.788 -1.803 12.787 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.948 -0.448 3.800 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.253 -0.595 2.567 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.782 -0.798 2.892 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.209 -0.039 3.687 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.529 0.650 1.683 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.977 0.662 0.248 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.704 1.703 -0.572 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.509 0.994 0.242 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.586 0.173 4.470 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.629 -1.480 2.075 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.599 0.773 1.621 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.130 1.509 2.203 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.115 -0.307 -0.209 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.290 1.717 -1.569 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.585 2.673 -0.112 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -4.752 1.448 -0.621 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -0.962 0.236 0.786 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.373 1.950 0.728 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.153 1.048 -0.775 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.199 -1.832 2.323 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.180 -2.195 2.578 1.00 0.00 C +ATOM 1070 C VAL A 63 0.999 -2.067 1.302 1.00 0.00 C +ATOM 1071 O VAL A 63 0.645 -2.636 0.247 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.292 -3.645 3.138 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.746 -4.063 3.315 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.437 -3.755 4.464 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.701 -2.377 1.674 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.573 -1.508 3.314 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.177 -4.320 2.438 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.247 -4.061 2.358 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 1.783 -5.054 3.746 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 2.238 -3.369 3.980 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -1.479 -3.509 4.322 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 0.001 -3.069 5.173 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -0.351 -4.763 4.839 1.00 0.00 H +ATOM 1084 N TYR A 64 2.074 -1.342 1.393 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.928 -1.102 0.265 1.00 0.00 C +ATOM 1086 C TYR A 64 4.382 -1.201 0.664 1.00 0.00 C +ATOM 1087 O TYR A 64 4.705 -1.101 1.838 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.628 0.275 -0.374 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.711 1.475 0.556 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 3.913 1.903 1.100 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.582 2.195 0.852 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 3.968 3.005 1.915 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.628 3.292 1.663 1.00 0.00 C +ATOM 1094 CZ TYR A 64 2.826 3.695 2.195 1.00 0.00 C +ATOM 1095 OH TYR A 64 2.878 4.785 3.014 1.00 0.00 O +ATOM 1096 H TYR A 64 2.324 -0.966 2.268 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.722 -1.868 -0.466 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.301 0.456 -1.197 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.620 0.246 -0.761 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.815 1.351 0.880 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.639 1.880 0.433 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 4.914 3.324 2.326 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.716 3.831 1.870 1.00 0.00 H +ATOM 1104 HH TYR A 64 2.155 4.734 3.645 1.00 0.00 H +ATOM 1105 N GLN A 65 5.231 -1.429 -0.290 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.649 -1.430 -0.061 1.00 0.00 C +ATOM 1107 C GLN A 65 7.251 -0.202 -0.707 1.00 0.00 C +ATOM 1108 O GLN A 65 6.942 0.118 -1.857 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.325 -2.721 -0.575 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.064 -3.037 -2.046 1.00 0.00 C +ATOM 1111 CD GLN A 65 7.791 -4.280 -2.548 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 8.117 -4.382 -3.729 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 8.057 -5.223 -1.673 1.00 0.00 N +ATOM 1114 H GLN A 65 4.897 -1.578 -1.204 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.806 -1.344 1.003 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.392 -2.625 -0.439 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.975 -3.550 0.020 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.003 -3.179 -2.189 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.390 -2.189 -2.629 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 7.782 -5.098 -0.743 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 8.532 -6.013 -2.008 1.00 0.00 H +ATOM 1122 N VAL A 66 8.041 0.512 0.027 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.684 1.672 -0.511 1.00 0.00 C +ATOM 1124 C VAL A 66 10.084 1.288 -0.878 1.00 0.00 C +ATOM 1125 O VAL A 66 10.925 1.041 -0.011 1.00 0.00 O +ATOM 1126 CB VAL A 66 8.712 2.849 0.500 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.434 4.058 -0.074 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.311 3.237 0.912 1.00 0.00 C +ATOM 1129 H VAL A 66 8.228 0.229 0.951 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.153 1.975 -1.401 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.243 2.523 1.382 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 8.934 4.386 -0.972 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 10.452 3.789 -0.310 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.432 4.858 0.652 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.360 4.048 1.624 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 6.827 2.386 1.367 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 6.747 3.549 0.048 1.00 0.00 H +ATOM 1138 N ILE A 67 10.342 1.248 -2.142 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.624 0.865 -2.621 1.00 0.00 C +ATOM 1140 C ILE A 67 12.379 2.127 -2.941 1.00 0.00 C +ATOM 1141 O ILE A 67 12.137 2.755 -3.972 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.515 -0.007 -3.896 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.493 -1.139 -3.683 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.887 -0.600 -4.230 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 10.183 -1.935 -4.935 1.00 0.00 C +ATOM 1146 H ILE A 67 9.644 1.501 -2.789 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.135 0.312 -1.848 1.00 0.00 H +ATOM 1148 HB ILE A 67 11.193 0.615 -4.718 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.876 -1.827 -2.944 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.570 -0.711 -3.322 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 13.595 0.199 -4.395 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 12.812 -1.208 -5.120 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.223 -1.214 -3.408 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 9.474 -2.715 -4.700 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 11.093 -2.373 -5.316 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 9.762 -1.279 -5.682 1.00 0.00 H +ATOM 1157 N ASP A 68 13.252 2.518 -2.047 1.00 0.00 N +ATOM 1158 CA ASP A 68 14.031 3.736 -2.181 1.00 0.00 C +ATOM 1159 C ASP A 68 14.956 3.682 -3.371 1.00 0.00 C +ATOM 1160 O ASP A 68 15.177 4.703 -4.036 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.843 4.027 -0.920 1.00 0.00 C +ATOM 1162 CG ASP A 68 14.017 4.522 0.241 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 13.733 5.750 0.299 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 13.664 3.710 1.135 1.00 0.00 O +ATOM 1165 H ASP A 68 13.401 1.961 -1.254 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.336 4.549 -2.329 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 15.351 3.125 -0.615 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.580 4.772 -1.166 1.00 0.00 H +ATOM 1169 N GLU A 69 15.476 2.493 -3.663 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.391 2.303 -4.789 1.00 0.00 C +ATOM 1171 C GLU A 69 15.706 2.578 -6.120 1.00 0.00 C +ATOM 1172 O GLU A 69 16.307 3.132 -7.033 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.978 0.892 -4.807 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.751 0.523 -3.563 1.00 0.00 C +ATOM 1175 CD GLU A 69 18.484 -0.785 -3.706 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 17.861 -1.849 -3.602 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 19.718 -0.757 -3.934 1.00 0.00 O +ATOM 1178 H GLU A 69 15.258 1.734 -3.076 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.199 3.009 -4.674 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 16.172 0.182 -4.919 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.639 0.804 -5.657 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 18.469 1.303 -3.365 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 17.071 0.452 -2.729 1.00 0.00 H +ATOM 1184 N LYS A 70 14.450 2.205 -6.214 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.694 2.374 -7.448 1.00 0.00 C +ATOM 1186 C LYS A 70 12.834 3.633 -7.379 1.00 0.00 C +ATOM 1187 O LYS A 70 12.212 4.030 -8.361 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.825 1.138 -7.695 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.611 -0.157 -7.838 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.684 -1.356 -7.997 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.469 -2.659 -8.091 1.00 0.00 C +ATOM 1192 NZ LYS A 70 12.582 -3.834 -8.259 1.00 0.00 N +ATOM 1193 H LYS A 70 14.017 1.812 -5.428 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.400 2.475 -8.259 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.164 1.021 -6.849 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.239 1.284 -8.589 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.244 -0.088 -8.711 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.221 -0.295 -6.958 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 12.018 -1.402 -7.148 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.104 -1.227 -8.898 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 14.151 -2.602 -8.925 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 14.039 -2.778 -7.181 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 13.148 -4.687 -8.448 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 11.908 -3.722 -9.040 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 12.048 -4.019 -7.385 1.00 0.00 H +ATOM 1206 N VAL A 71 12.815 4.247 -6.188 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.083 5.495 -5.891 1.00 0.00 C +ATOM 1208 C VAL A 71 10.556 5.280 -6.110 1.00 0.00 C +ATOM 1209 O VAL A 71 9.798 6.197 -6.416 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.639 6.699 -6.750 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 12.093 8.049 -6.278 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.163 6.721 -6.716 1.00 0.00 C +ATOM 1213 H VAL A 71 13.321 3.830 -5.460 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.239 5.701 -4.841 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.329 6.550 -7.774 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 12.510 8.836 -6.887 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.365 8.209 -5.245 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 11.018 8.051 -6.373 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.524 7.538 -7.322 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.544 5.787 -7.102 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.495 6.852 -5.697 1.00 0.00 H +ATOM 1222 N VAL A 72 10.102 4.084 -5.850 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.723 3.758 -6.101 1.00 0.00 C +ATOM 1224 C VAL A 72 8.080 3.116 -4.881 1.00 0.00 C +ATOM 1225 O VAL A 72 8.707 2.326 -4.159 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.551 2.843 -7.375 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.248 1.505 -7.212 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.080 2.638 -7.741 1.00 0.00 C +ATOM 1229 H VAL A 72 10.690 3.419 -5.433 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.210 4.691 -6.288 1.00 0.00 H +ATOM 1231 HB VAL A 72 9.036 3.349 -8.198 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 10.300 1.677 -7.052 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 9.106 0.918 -8.107 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 8.832 0.983 -6.363 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.620 3.591 -7.952 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.568 2.171 -6.913 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 7.011 2.002 -8.611 1.00 0.00 H +ATOM 1238 N VAL A 73 6.877 3.518 -4.633 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.047 2.962 -3.627 1.00 0.00 C +ATOM 1240 C VAL A 73 5.150 1.959 -4.332 1.00 0.00 C +ATOM 1241 O VAL A 73 4.344 2.322 -5.201 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.187 4.065 -2.960 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.294 3.492 -1.887 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.063 5.169 -2.391 1.00 0.00 C +ATOM 1245 H VAL A 73 6.492 4.243 -5.172 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.654 2.464 -2.887 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.563 4.498 -3.728 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 4.896 3.018 -1.126 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 3.629 2.762 -2.326 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.710 4.283 -1.441 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 5.444 5.910 -1.906 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 6.611 5.636 -3.196 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 6.760 4.755 -1.679 1.00 0.00 H +ATOM 1254 N PHE A 74 5.315 0.728 -3.999 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.629 -0.337 -4.662 1.00 0.00 C +ATOM 1256 C PHE A 74 3.610 -0.961 -3.723 1.00 0.00 C +ATOM 1257 O PHE A 74 3.974 -1.590 -2.730 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.673 -1.360 -5.126 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.151 -2.506 -5.931 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.757 -2.319 -7.241 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 5.091 -3.778 -5.391 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.310 -3.376 -7.998 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.642 -4.837 -6.140 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.251 -4.636 -7.447 1.00 0.00 C +ATOM 1265 H PHE A 74 5.928 0.511 -3.262 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.126 0.062 -5.530 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.410 -0.855 -5.732 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.165 -1.761 -4.254 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 4.800 -1.330 -7.671 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.397 -3.935 -4.367 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.004 -3.216 -9.021 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.595 -5.823 -5.705 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.901 -5.469 -8.040 1.00 0.00 H +ATOM 1274 N VAL A 75 2.348 -0.754 -4.019 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.262 -1.280 -3.212 1.00 0.00 C +ATOM 1276 C VAL A 75 1.134 -2.760 -3.467 1.00 0.00 C +ATOM 1277 O VAL A 75 0.925 -3.175 -4.596 1.00 0.00 O +ATOM 1278 CB VAL A 75 -0.082 -0.572 -3.526 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.213 -1.117 -2.654 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.053 0.934 -3.354 1.00 0.00 C +ATOM 1281 H VAL A 75 2.144 -0.246 -4.838 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.509 -1.132 -2.173 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.334 -0.775 -4.556 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.337 -2.173 -2.848 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -2.136 -0.601 -2.875 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -0.965 -0.979 -1.613 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.361 1.162 -2.344 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 -0.896 1.406 -3.557 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.793 1.306 -4.048 1.00 0.00 H +ATOM 1290 N ILE A 76 1.253 -3.540 -2.428 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.238 -4.977 -2.571 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.150 -5.522 -2.263 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.663 -6.408 -2.952 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.245 -5.649 -1.601 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.627 -4.995 -1.700 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.358 -7.135 -1.922 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.623 -5.533 -0.689 1.00 0.00 C +ATOM 1298 H ILE A 76 1.340 -3.146 -1.533 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.514 -5.232 -3.583 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.871 -5.543 -0.594 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.032 -5.168 -2.685 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.526 -3.931 -1.536 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 2.686 -7.255 -2.943 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 1.395 -7.608 -1.800 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 3.079 -7.591 -1.260 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 4.741 -6.597 -0.830 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.264 -5.339 0.312 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 5.576 -5.045 -0.827 1.00 0.00 H +ATOM 1309 N SER A 77 -0.763 -4.996 -1.230 1.00 0.00 N +ATOM 1310 CA SER A 77 -2.042 -5.490 -0.790 1.00 0.00 C +ATOM 1311 C SER A 77 -2.894 -4.363 -0.243 1.00 0.00 C +ATOM 1312 O SER A 77 -2.371 -3.372 0.283 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.828 -6.559 0.274 1.00 0.00 C +ATOM 1314 OG SER A 77 -1.010 -7.592 -0.235 1.00 0.00 O +ATOM 1315 H SER A 77 -0.367 -4.247 -0.735 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.541 -5.942 -1.633 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.342 -6.118 1.132 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.780 -6.977 0.566 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.841 -7.400 -1.166 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.185 -4.503 -0.381 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.118 -3.520 0.085 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.422 -4.226 0.493 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.767 -5.267 -0.082 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.369 -2.439 -1.020 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -6.014 -3.022 -2.266 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.166 -1.278 -0.491 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.566 -5.304 -0.799 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.692 -3.046 0.956 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.397 -2.072 -1.317 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -6.168 -2.239 -2.993 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -6.966 -3.462 -2.007 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -5.369 -3.781 -2.685 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.626 -0.822 0.325 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -7.129 -1.624 -0.143 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.302 -0.550 -1.277 1.00 0.00 H +ATOM 1336 N GLY A 79 -7.085 -3.715 1.509 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.338 -4.283 1.956 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.508 -4.069 3.434 1.00 0.00 C +ATOM 1339 O GLY A 79 -8.098 -3.044 3.953 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.718 -2.949 2.008 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -9.152 -3.807 1.427 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.353 -5.342 1.750 1.00 0.00 H +ATOM 1343 N LYS A 80 -9.103 -4.998 4.123 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.219 -4.872 5.554 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.136 -5.680 6.216 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.535 -6.564 5.597 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.578 -5.321 6.081 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.768 -4.559 5.517 1.00 0.00 C +ATOM 1349 CD LYS A 80 -13.055 -4.902 6.264 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.334 -6.401 6.285 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -13.532 -6.965 4.934 1.00 0.00 N +ATOM 1352 H LYS A 80 -9.455 -5.794 3.671 1.00 0.00 H +ATOM 1353 HA LYS A 80 -9.068 -3.831 5.799 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.703 -6.364 5.832 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.585 -5.218 7.155 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.580 -3.500 5.610 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.888 -4.815 4.474 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -12.973 -4.550 7.281 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.878 -4.398 5.778 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -12.506 -6.907 6.757 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -14.225 -6.566 6.870 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -12.725 -6.769 4.309 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -14.390 -6.582 4.488 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -13.636 -7.997 5.003 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.896 -5.396 7.459 1.00 0.00 N +ATOM 1366 CA ALA A 81 -6.901 -6.086 8.211 1.00 0.00 C +ATOM 1367 C ALA A 81 -7.481 -6.502 9.531 1.00 0.00 C +ATOM 1368 O ALA A 81 -7.802 -5.661 10.366 1.00 0.00 O +ATOM 1369 CB ALA A 81 -5.681 -5.210 8.418 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.419 -4.708 7.919 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.606 -6.964 7.658 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -5.951 -4.344 9.003 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -5.302 -4.894 7.458 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -4.918 -5.773 8.934 1.00 0.00 H +ATOM 1375 N GLU A 82 -7.695 -7.780 9.685 1.00 0.00 N +ATOM 1376 CA GLU A 82 -8.193 -8.292 10.925 1.00 0.00 C +ATOM 1377 C GLU A 82 -6.974 -8.729 11.737 1.00 0.00 C +ATOM 1378 O GLU A 82 -6.598 -8.085 12.732 1.00 0.00 O +ATOM 1379 CB GLU A 82 -9.164 -9.464 10.659 1.00 0.00 C +ATOM 1380 CG GLU A 82 -10.234 -9.691 11.733 1.00 0.00 C +ATOM 1381 CD GLU A 82 -9.688 -9.988 13.099 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -9.429 -11.171 13.403 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -9.530 -9.046 13.898 1.00 0.00 O +ATOM 1384 H GLU A 82 -7.530 -8.391 8.940 1.00 0.00 H +ATOM 1385 HA GLU A 82 -8.698 -7.497 11.446 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -9.671 -9.279 9.723 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -8.587 -10.370 10.564 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -10.837 -8.798 11.808 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -10.862 -10.513 11.424 1.00 0.00 H +ATOM 1390 N ALA A 83 -6.319 -9.766 11.270 1.00 0.00 N +ATOM 1391 CA ALA A 83 -5.119 -10.251 11.912 1.00 0.00 C +ATOM 1392 C ALA A 83 -3.968 -10.425 10.916 1.00 0.00 C +ATOM 1393 O ALA A 83 -2.928 -9.786 11.045 1.00 0.00 O +ATOM 1394 CB ALA A 83 -5.397 -11.548 12.648 1.00 0.00 C +ATOM 1395 H ALA A 83 -6.679 -10.240 10.492 1.00 0.00 H +ATOM 1396 HA ALA A 83 -4.822 -9.511 12.640 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -4.518 -11.853 13.196 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -5.656 -12.318 11.936 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -6.217 -11.402 13.336 1.00 0.00 H +ATOM 1400 N SER A 84 -4.155 -11.261 9.914 1.00 0.00 N +ATOM 1401 CA SER A 84 -3.069 -11.556 8.996 1.00 0.00 C +ATOM 1402 C SER A 84 -3.477 -11.304 7.523 1.00 0.00 C +ATOM 1403 O SER A 84 -2.710 -11.594 6.598 1.00 0.00 O +ATOM 1404 CB SER A 84 -2.622 -13.020 9.221 1.00 0.00 C +ATOM 1405 OG SER A 84 -1.436 -13.349 8.511 1.00 0.00 O +ATOM 1406 H SER A 84 -5.016 -11.722 9.808 1.00 0.00 H +ATOM 1407 HA SER A 84 -2.243 -10.909 9.248 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -2.443 -13.180 10.274 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -3.415 -13.677 8.897 1.00 0.00 H +ATOM 1410 HG SER A 84 -1.330 -14.305 8.596 1.00 0.00 H +ATOM 1411 N GLU A 85 -4.631 -10.659 7.324 1.00 0.00 N +ATOM 1412 CA GLU A 85 -5.211 -10.460 5.984 1.00 0.00 C +ATOM 1413 C GLU A 85 -4.272 -9.708 5.025 1.00 0.00 C +ATOM 1414 O GLU A 85 -3.961 -10.191 3.948 1.00 0.00 O +ATOM 1415 CB GLU A 85 -6.497 -9.654 6.106 1.00 0.00 C +ATOM 1416 CG GLU A 85 -7.565 -10.280 6.973 1.00 0.00 C +ATOM 1417 CD GLU A 85 -7.965 -11.648 6.489 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -8.468 -11.763 5.368 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -7.801 -12.625 7.235 1.00 0.00 O +ATOM 1420 H GLU A 85 -5.127 -10.326 8.097 1.00 0.00 H +ATOM 1421 HA GLU A 85 -5.460 -11.423 5.568 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -6.256 -8.685 6.516 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -6.899 -9.521 5.115 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -7.189 -10.356 7.981 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -8.437 -9.642 6.966 1.00 0.00 H +ATOM 1426 N VAL A 86 -3.779 -8.565 5.450 1.00 0.00 N +ATOM 1427 CA VAL A 86 -2.929 -7.749 4.584 1.00 0.00 C +ATOM 1428 C VAL A 86 -1.468 -8.118 4.726 1.00 0.00 C +ATOM 1429 O VAL A 86 -0.623 -7.630 3.996 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.111 -6.226 4.837 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -4.515 -5.776 4.462 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -2.805 -5.872 6.292 1.00 0.00 C +ATOM 1433 H VAL A 86 -3.988 -8.245 6.350 1.00 0.00 H +ATOM 1434 HA VAL A 86 -3.226 -7.959 3.567 1.00 0.00 H +ATOM 1435 HB VAL A 86 -2.412 -5.701 4.204 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -4.617 -4.717 4.650 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -5.237 -6.317 5.057 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -4.692 -5.974 3.416 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -1.786 -6.146 6.522 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -3.477 -6.412 6.941 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -2.935 -4.809 6.438 1.00 0.00 H +ATOM 1442 N TYR A 87 -1.183 -8.988 5.659 1.00 0.00 N +ATOM 1443 CA TYR A 87 0.178 -9.385 5.908 1.00 0.00 C +ATOM 1444 C TYR A 87 0.535 -10.568 5.043 1.00 0.00 C +ATOM 1445 O TYR A 87 1.588 -10.587 4.414 1.00 0.00 O +ATOM 1446 CB TYR A 87 0.404 -9.689 7.392 1.00 0.00 C +ATOM 1447 CG TYR A 87 0.196 -8.490 8.302 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 1.218 -7.578 8.525 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 -1.019 -8.272 8.934 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 1.034 -6.484 9.351 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 -1.211 -7.183 9.762 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -0.184 -6.291 9.971 1.00 0.00 C +ATOM 1453 OH TYR A 87 -0.380 -5.193 10.801 1.00 0.00 O +ATOM 1454 H TYR A 87 -1.914 -9.394 6.168 1.00 0.00 H +ATOM 1455 HA TYR A 87 0.809 -8.557 5.621 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 -0.284 -10.462 7.700 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 1.415 -10.042 7.530 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 2.171 -7.729 8.038 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 -1.828 -8.969 8.773 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 1.846 -5.791 9.504 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 -2.167 -7.035 10.242 1.00 0.00 H +ATOM 1462 HH TYR A 87 -0.668 -5.513 11.667 1.00 0.00 H +ATOM 1463 N SER A 88 -0.367 -11.533 4.977 1.00 0.00 N +ATOM 1464 CA SER A 88 -0.154 -12.710 4.175 1.00 0.00 C +ATOM 1465 C SER A 88 -0.087 -12.383 2.695 1.00 0.00 C +ATOM 1466 O SER A 88 0.866 -12.769 2.036 1.00 0.00 O +ATOM 1467 CB SER A 88 -1.205 -13.762 4.468 1.00 0.00 C +ATOM 1468 OG SER A 88 -1.106 -14.187 5.822 1.00 0.00 O +ATOM 1469 H SER A 88 -1.203 -11.462 5.489 1.00 0.00 H +ATOM 1470 HA SER A 88 0.809 -13.113 4.452 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -2.184 -13.340 4.299 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -1.056 -14.614 3.821 1.00 0.00 H +ATOM 1473 HG SER A 88 -1.697 -13.642 6.359 1.00 0.00 H +ATOM 1474 N GLU A 89 -1.043 -11.597 2.194 1.00 0.00 N +ATOM 1475 CA GLU A 89 -1.074 -11.259 0.766 1.00 0.00 C +ATOM 1476 C GLU A 89 0.203 -10.518 0.365 1.00 0.00 C +ATOM 1477 O GLU A 89 0.708 -10.684 -0.754 1.00 0.00 O +ATOM 1478 CB GLU A 89 -2.302 -10.400 0.425 1.00 0.00 C +ATOM 1479 CG GLU A 89 -3.652 -11.037 0.727 1.00 0.00 C +ATOM 1480 CD GLU A 89 -3.876 -12.323 -0.016 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -4.079 -12.295 -1.248 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -3.874 -13.393 0.614 1.00 0.00 O +ATOM 1483 H GLU A 89 -1.747 -11.243 2.778 1.00 0.00 H +ATOM 1484 HA GLU A 89 -1.109 -12.175 0.196 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -2.242 -9.479 0.986 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -2.269 -10.161 -0.628 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -3.709 -11.243 1.786 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -4.433 -10.342 0.457 1.00 0.00 H +ATOM 1489 N ALA A 90 0.744 -9.763 1.305 1.00 0.00 N +ATOM 1490 CA ALA A 90 1.944 -9.013 1.078 1.00 0.00 C +ATOM 1491 C ALA A 90 3.172 -9.915 1.088 1.00 0.00 C +ATOM 1492 O ALA A 90 3.919 -9.960 0.113 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.082 -7.894 2.100 1.00 0.00 C +ATOM 1494 H ALA A 90 0.307 -9.709 2.179 1.00 0.00 H +ATOM 1495 HA ALA A 90 1.856 -8.564 0.100 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 2.198 -8.320 3.085 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 1.197 -7.275 2.079 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 2.948 -7.292 1.864 1.00 0.00 H +ATOM 1499 N VAL A 91 3.355 -10.678 2.163 1.00 0.00 N +ATOM 1500 CA VAL A 91 4.552 -11.515 2.317 1.00 0.00 C +ATOM 1501 C VAL A 91 4.640 -12.606 1.235 1.00 0.00 C +ATOM 1502 O VAL A 91 5.734 -12.967 0.794 1.00 0.00 O +ATOM 1503 CB VAL A 91 4.679 -12.131 3.754 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 3.604 -13.168 4.035 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 6.073 -12.701 3.997 1.00 0.00 C +ATOM 1506 H VAL A 91 2.677 -10.674 2.878 1.00 0.00 H +ATOM 1507 HA VAL A 91 5.395 -10.860 2.153 1.00 0.00 H +ATOM 1508 HB VAL A 91 4.521 -11.324 4.455 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 3.703 -13.986 3.337 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 2.641 -12.701 3.900 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 3.698 -13.533 5.046 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 6.127 -13.119 4.991 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 6.807 -11.913 3.899 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 6.276 -13.473 3.271 1.00 0.00 H +ATOM 1515 N LYS A 92 3.491 -13.069 0.747 1.00 0.00 N +ATOM 1516 CA LYS A 92 3.473 -14.115 -0.275 1.00 0.00 C +ATOM 1517 C LYS A 92 3.958 -13.579 -1.624 1.00 0.00 C +ATOM 1518 O LYS A 92 4.226 -14.345 -2.536 1.00 0.00 O +ATOM 1519 CB LYS A 92 2.083 -14.753 -0.422 1.00 0.00 C +ATOM 1520 CG LYS A 92 1.516 -15.359 0.856 1.00 0.00 C +ATOM 1521 CD LYS A 92 2.371 -16.459 1.444 1.00 0.00 C +ATOM 1522 CE LYS A 92 1.825 -16.896 2.803 1.00 0.00 C +ATOM 1523 NZ LYS A 92 0.416 -17.356 2.728 1.00 0.00 N +ATOM 1524 H LYS A 92 2.643 -12.706 1.090 1.00 0.00 H +ATOM 1525 HA LYS A 92 4.172 -14.875 0.041 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 1.395 -13.982 -0.735 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 2.123 -15.524 -1.177 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 1.417 -14.580 1.597 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 0.539 -15.761 0.632 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 2.368 -17.305 0.773 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 3.379 -16.096 1.574 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 2.434 -17.706 3.178 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 1.889 -16.060 3.484 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 0.047 -17.605 3.669 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 0.334 -18.205 2.130 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 -0.216 -16.642 2.315 1.00 0.00 H +ATOM 1537 N ARG A 93 4.056 -12.258 -1.756 1.00 0.00 N +ATOM 1538 CA ARG A 93 4.602 -11.693 -2.979 1.00 0.00 C +ATOM 1539 C ARG A 93 6.113 -11.607 -2.921 1.00 0.00 C +ATOM 1540 O ARG A 93 6.780 -11.462 -3.945 1.00 0.00 O +ATOM 1541 CB ARG A 93 4.014 -10.330 -3.342 1.00 0.00 C +ATOM 1542 CG ARG A 93 2.527 -10.324 -3.690 1.00 0.00 C +ATOM 1543 CD ARG A 93 2.145 -11.443 -4.664 1.00 0.00 C +ATOM 1544 NE ARG A 93 3.138 -11.672 -5.731 1.00 0.00 N +ATOM 1545 CZ ARG A 93 3.008 -11.331 -7.006 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 2.106 -10.449 -7.380 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 3.865 -11.803 -7.898 1.00 0.00 N +ATOM 1548 H ARG A 93 3.751 -11.667 -1.030 1.00 0.00 H +ATOM 1549 HA ARG A 93 4.355 -12.396 -3.760 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 4.158 -9.660 -2.506 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 4.561 -9.944 -4.189 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 1.958 -10.448 -2.781 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 2.283 -9.370 -4.135 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 2.032 -12.361 -4.108 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 1.197 -11.191 -5.118 1.00 0.00 H +ATOM 1556 HE ARG A 93 3.918 -12.205 -5.457 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 1.481 -9.964 -6.752 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 2.015 -10.192 -8.342 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 4.622 -12.415 -7.656 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 3.782 -11.565 -8.869 1.00 0.00 H +ATOM 1561 N ILE A 94 6.645 -11.687 -1.726 1.00 0.00 N +ATOM 1562 CA ILE A 94 8.079 -11.667 -1.527 1.00 0.00 C +ATOM 1563 C ILE A 94 8.604 -13.101 -1.580 1.00 0.00 C +ATOM 1564 O ILE A 94 9.711 -13.364 -2.078 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.495 -10.950 -0.175 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 8.329 -9.408 -0.254 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 9.927 -11.288 0.244 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 6.910 -8.893 -0.371 1.00 0.00 C +ATOM 1569 H ILE A 94 6.051 -11.778 -0.952 1.00 0.00 H +ATOM 1570 HA ILE A 94 8.502 -11.126 -2.362 1.00 0.00 H +ATOM 1571 HB ILE A 94 7.839 -11.325 0.597 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 8.741 -8.971 0.641 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 8.889 -9.046 -1.103 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 10.611 -10.966 -0.527 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 10.016 -12.356 0.378 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 10.163 -10.787 1.170 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 6.458 -9.288 -1.269 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 6.925 -7.815 -0.421 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 6.337 -9.206 0.489 1.00 0.00 H +ATOM 1580 N LEU A 95 7.790 -14.012 -1.118 1.00 0.00 N +ATOM 1581 CA LEU A 95 8.124 -15.408 -1.115 1.00 0.00 C +ATOM 1582 C LEU A 95 7.557 -16.059 -2.371 1.00 0.00 C +ATOM 1583 O LEU A 95 8.237 -16.066 -3.419 1.00 0.00 O +ATOM 1584 CB LEU A 95 7.545 -16.069 0.143 1.00 0.00 C +ATOM 1585 CG LEU A 95 7.986 -15.468 1.484 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 7.249 -16.127 2.631 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 9.488 -15.610 1.672 1.00 0.00 C +ATOM 1588 OXT LEU A 95 6.421 -16.545 -2.339 1.00 0.00 O +ATOM 1589 H LEU A 95 6.918 -13.744 -0.760 1.00 0.00 H +ATOM 1590 HA LEU A 95 9.199 -15.509 -1.108 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 6.469 -16.000 0.088 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 7.821 -17.113 0.134 1.00 0.00 H +ATOM 1593 HG LEU A 95 7.739 -14.417 1.493 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 6.186 -15.988 2.508 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 7.566 -15.685 3.564 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 7.478 -17.182 2.640 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 9.771 -15.194 2.628 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 10.001 -15.077 0.885 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 9.761 -16.654 1.637 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 14 +ATOM 1 N MET A 1 11.867 14.601 -2.050 1.00 0.00 N +ATOM 2 CA MET A 1 11.762 13.774 -3.250 1.00 0.00 C +ATOM 3 C MET A 1 10.439 13.066 -3.255 1.00 0.00 C +ATOM 4 O MET A 1 10.009 12.529 -2.225 1.00 0.00 O +ATOM 5 CB MET A 1 12.889 12.738 -3.294 1.00 0.00 C +ATOM 6 CG MET A 1 12.929 11.882 -4.557 1.00 0.00 C +ATOM 7 SD MET A 1 13.225 12.860 -6.044 1.00 0.00 S +ATOM 8 CE MET A 1 13.264 11.572 -7.296 1.00 0.00 C +ATOM 9 H MET A 1 11.811 14.030 -1.184 1.00 0.00 H +ATOM 10 HA MET A 1 11.825 14.407 -4.122 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.833 13.254 -3.226 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.761 12.084 -2.447 1.00 0.00 H +ATOM 13 HG2 MET A 1 13.721 11.155 -4.460 1.00 0.00 H +ATOM 14 HG3 MET A 1 11.983 11.373 -4.660 1.00 0.00 H +ATOM 15 HE1 MET A 1 13.454 12.018 -8.261 1.00 0.00 H +ATOM 16 HE2 MET A 1 12.311 11.065 -7.316 1.00 0.00 H +ATOM 17 HE3 MET A 1 14.046 10.865 -7.064 1.00 0.00 H +ATOM 18 N ALA A 2 9.812 13.059 -4.397 1.00 0.00 N +ATOM 19 CA ALA A 2 8.551 12.395 -4.588 1.00 0.00 C +ATOM 20 C ALA A 2 8.793 11.087 -5.300 1.00 0.00 C +ATOM 21 O ALA A 2 9.580 11.018 -6.259 1.00 0.00 O +ATOM 22 CB ALA A 2 7.586 13.265 -5.383 1.00 0.00 C +ATOM 23 H ALA A 2 10.231 13.503 -5.164 1.00 0.00 H +ATOM 24 HA ALA A 2 8.126 12.196 -3.615 1.00 0.00 H +ATOM 25 HB1 ALA A 2 8.007 13.475 -6.355 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.409 14.189 -4.855 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.652 12.734 -5.505 1.00 0.00 H +ATOM 28 N TYR A 3 8.163 10.066 -4.820 1.00 0.00 N +ATOM 29 CA TYR A 3 8.305 8.735 -5.359 1.00 0.00 C +ATOM 30 C TYR A 3 7.180 8.445 -6.345 1.00 0.00 C +ATOM 31 O TYR A 3 6.226 9.215 -6.452 1.00 0.00 O +ATOM 32 CB TYR A 3 8.301 7.691 -4.217 1.00 0.00 C +ATOM 33 CG TYR A 3 9.521 7.720 -3.287 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.983 8.906 -2.722 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.191 6.547 -2.962 1.00 0.00 C +ATOM 36 CE1 TYR A 3 11.065 8.925 -1.874 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.282 6.559 -2.111 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.715 7.752 -1.573 1.00 0.00 C +ATOM 39 OH TYR A 3 12.785 7.777 -0.703 1.00 0.00 O +ATOM 40 H TYR A 3 7.562 10.211 -4.058 1.00 0.00 H +ATOM 41 HA TYR A 3 9.250 8.681 -5.875 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.428 7.851 -3.603 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.240 6.706 -4.656 1.00 0.00 H +ATOM 44 HD1 TYR A 3 9.477 9.830 -2.960 1.00 0.00 H +ATOM 45 HD2 TYR A 3 9.852 5.614 -3.387 1.00 0.00 H +ATOM 46 HE1 TYR A 3 11.402 9.859 -1.449 1.00 0.00 H +ATOM 47 HE2 TYR A 3 11.793 5.637 -1.875 1.00 0.00 H +ATOM 48 HH TYR A 3 13.329 6.977 -0.837 1.00 0.00 H +ATOM 49 N PHE A 4 7.313 7.367 -7.070 1.00 0.00 N +ATOM 50 CA PHE A 4 6.289 6.917 -8.004 1.00 0.00 C +ATOM 51 C PHE A 4 5.339 5.982 -7.264 1.00 0.00 C +ATOM 52 O PHE A 4 5.700 5.459 -6.222 1.00 0.00 O +ATOM 53 CB PHE A 4 6.936 6.174 -9.185 1.00 0.00 C +ATOM 54 CG PHE A 4 7.820 7.024 -10.055 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.290 7.709 -11.130 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.181 7.132 -9.803 1.00 0.00 C +ATOM 57 CE1 PHE A 4 8.094 8.485 -11.939 1.00 0.00 C +ATOM 58 CE2 PHE A 4 9.990 7.909 -10.608 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.445 8.586 -11.678 1.00 0.00 C +ATOM 60 H PHE A 4 8.134 6.835 -6.969 1.00 0.00 H +ATOM 61 HA PHE A 4 5.744 7.776 -8.366 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.559 5.386 -8.786 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.165 5.737 -9.802 1.00 0.00 H +ATOM 64 HD1 PHE A 4 6.233 7.631 -11.332 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.607 6.600 -8.964 1.00 0.00 H +ATOM 66 HE1 PHE A 4 7.662 9.011 -12.777 1.00 0.00 H +ATOM 67 HE2 PHE A 4 11.047 7.988 -10.401 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.074 9.195 -12.312 1.00 0.00 H +ATOM 69 N LEU A 5 4.147 5.781 -7.772 1.00 0.00 N +ATOM 70 CA LEU A 5 3.193 4.888 -7.118 1.00 0.00 C +ATOM 71 C LEU A 5 2.736 3.849 -8.138 1.00 0.00 C +ATOM 72 O LEU A 5 2.229 4.212 -9.212 1.00 0.00 O +ATOM 73 CB LEU A 5 1.971 5.699 -6.593 1.00 0.00 C +ATOM 74 CG LEU A 5 1.103 5.088 -5.440 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.503 3.737 -5.775 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.885 5.003 -4.153 1.00 0.00 C +ATOM 77 H LEU A 5 3.886 6.228 -8.607 1.00 0.00 H +ATOM 78 HA LEU A 5 3.687 4.396 -6.294 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.339 6.655 -6.254 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.321 5.882 -7.435 1.00 0.00 H +ATOM 81 HG LEU A 5 0.274 5.759 -5.269 1.00 0.00 H +ATOM 82 HD11 LEU A 5 1.296 3.064 -6.066 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.220 3.831 -6.571 1.00 0.00 H +ATOM 84 HD13 LEU A 5 0.030 3.347 -4.886 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.199 5.988 -3.844 1.00 0.00 H +ATOM 86 HD22 LEU A 5 2.745 4.370 -4.309 1.00 0.00 H +ATOM 87 HD23 LEU A 5 1.263 4.567 -3.386 1.00 0.00 H +ATOM 88 N ASP A 6 2.908 2.582 -7.824 1.00 0.00 N +ATOM 89 CA ASP A 6 2.464 1.516 -8.718 1.00 0.00 C +ATOM 90 C ASP A 6 1.805 0.422 -7.891 1.00 0.00 C +ATOM 91 O ASP A 6 2.114 0.266 -6.701 1.00 0.00 O +ATOM 92 CB ASP A 6 3.643 0.952 -9.529 1.00 0.00 C +ATOM 93 CG ASP A 6 3.215 0.074 -10.696 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.691 0.616 -11.714 1.00 0.00 O +ATOM 95 OD2 ASP A 6 3.399 -1.147 -10.641 1.00 0.00 O +ATOM 96 H ASP A 6 3.326 2.333 -6.966 1.00 0.00 H +ATOM 97 HA ASP A 6 1.728 1.934 -9.387 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.255 1.755 -9.907 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.219 0.339 -8.855 1.00 0.00 H +ATOM 100 N PHE A 7 0.901 -0.300 -8.487 1.00 0.00 N +ATOM 101 CA PHE A 7 0.148 -1.332 -7.790 1.00 0.00 C +ATOM 102 C PHE A 7 0.429 -2.683 -8.408 1.00 0.00 C +ATOM 103 O PHE A 7 0.479 -2.806 -9.629 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.366 -1.098 -7.919 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.909 0.205 -7.403 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -1.927 1.334 -8.209 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.438 0.291 -6.130 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.454 2.522 -7.750 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.970 1.474 -5.666 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.978 2.592 -6.476 1.00 0.00 C +ATOM 111 H PHE A 7 0.745 -0.168 -9.445 1.00 0.00 H +ATOM 112 HA PHE A 7 0.413 -1.329 -6.745 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.627 -1.150 -8.966 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.877 -1.900 -7.406 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.518 1.280 -9.207 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.427 -0.582 -5.492 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.459 3.395 -8.387 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.382 1.527 -4.669 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.396 3.519 -6.113 1.00 0.00 H +ATOM 120 N ASP A 8 0.602 -3.681 -7.584 1.00 0.00 N +ATOM 121 CA ASP A 8 0.727 -5.055 -8.056 1.00 0.00 C +ATOM 122 C ASP A 8 -0.624 -5.541 -8.581 1.00 0.00 C +ATOM 123 O ASP A 8 -1.669 -5.026 -8.166 1.00 0.00 O +ATOM 124 CB ASP A 8 1.209 -5.973 -6.935 1.00 0.00 C +ATOM 125 CG ASP A 8 1.173 -7.419 -7.334 1.00 0.00 C +ATOM 126 OD1 ASP A 8 2.032 -7.871 -8.116 1.00 0.00 O +ATOM 127 OD2 ASP A 8 0.267 -8.134 -6.883 1.00 0.00 O +ATOM 128 H ASP A 8 0.657 -3.512 -6.615 1.00 0.00 H +ATOM 129 HA ASP A 8 1.443 -5.067 -8.864 1.00 0.00 H +ATOM 130 HB2 ASP A 8 2.223 -5.714 -6.671 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.572 -5.836 -6.073 1.00 0.00 H +ATOM 132 N GLU A 9 -0.615 -6.511 -9.483 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.836 -7.008 -10.069 1.00 0.00 C +ATOM 134 C GLU A 9 -2.830 -7.591 -9.043 1.00 0.00 C +ATOM 135 O GLU A 9 -4.038 -7.452 -9.234 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.578 -7.908 -11.306 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.738 -9.172 -11.098 1.00 0.00 C +ATOM 138 CD GLU A 9 -1.515 -10.335 -10.530 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -2.456 -10.814 -11.197 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -1.193 -10.807 -9.439 1.00 0.00 O +ATOM 141 H GLU A 9 0.247 -6.907 -9.739 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.324 -6.109 -10.419 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.533 -8.228 -11.696 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -1.095 -7.303 -12.060 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -0.324 -9.478 -12.046 1.00 0.00 H +ATOM 146 HG3 GLU A 9 0.069 -8.932 -10.422 1.00 0.00 H +ATOM 147 N ARG A 10 -2.333 -8.174 -7.932 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.227 -8.668 -6.872 1.00 0.00 C +ATOM 149 C ARG A 10 -3.850 -7.497 -6.146 1.00 0.00 C +ATOM 150 O ARG A 10 -5.041 -7.520 -5.789 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.513 -9.568 -5.849 1.00 0.00 C +ATOM 152 CG ARG A 10 -2.033 -10.892 -6.392 1.00 0.00 C +ATOM 153 CD ARG A 10 -1.471 -11.775 -5.287 1.00 0.00 C +ATOM 154 NE ARG A 10 -0.987 -13.056 -5.813 1.00 0.00 N +ATOM 155 CZ ARG A 10 -0.568 -14.102 -5.082 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -0.644 -14.082 -3.748 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -0.113 -15.191 -5.692 1.00 0.00 N +ATOM 158 H ARG A 10 -1.356 -8.268 -7.816 1.00 0.00 H +ATOM 159 HA ARG A 10 -4.016 -9.226 -7.352 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.654 -9.036 -5.467 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.191 -9.764 -5.031 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -2.865 -11.401 -6.856 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -1.261 -10.710 -7.126 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -0.648 -11.259 -4.814 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -2.247 -11.964 -4.561 1.00 0.00 H +ATOM 166 HE ARG A 10 -0.976 -13.096 -6.796 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -1.014 -13.308 -3.210 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -0.330 -14.867 -3.207 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -0.066 -15.271 -6.693 1.00 0.00 H +ATOM 170 HH22 ARG A 10 0.211 -15.990 -5.178 1.00 0.00 H +ATOM 171 N ALA A 11 -3.052 -6.463 -5.957 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.495 -5.260 -5.295 1.00 0.00 C +ATOM 173 C ALA A 11 -4.549 -4.560 -6.131 1.00 0.00 C +ATOM 174 O ALA A 11 -5.522 -4.065 -5.602 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.324 -4.330 -5.025 1.00 0.00 C +ATOM 176 H ALA A 11 -2.128 -6.523 -6.282 1.00 0.00 H +ATOM 177 HA ALA A 11 -3.933 -5.546 -4.350 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.878 -4.036 -5.964 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.590 -4.837 -4.417 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -2.681 -3.451 -4.508 1.00 0.00 H +ATOM 181 N LEU A 12 -4.362 -4.575 -7.451 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.288 -3.955 -8.382 1.00 0.00 C +ATOM 183 C LEU A 12 -6.658 -4.582 -8.296 1.00 0.00 C +ATOM 184 O LEU A 12 -7.661 -3.888 -8.257 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.765 -4.047 -9.818 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.612 -3.113 -10.192 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.100 -3.442 -11.583 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.080 -1.661 -10.148 1.00 0.00 C +ATOM 189 H LEU A 12 -3.564 -5.023 -7.812 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.372 -2.912 -8.116 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.439 -5.063 -9.983 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.592 -3.847 -10.479 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.804 -3.232 -9.486 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -2.279 -2.782 -11.823 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -3.897 -3.302 -12.299 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -2.762 -4.466 -11.618 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -4.916 -1.532 -10.817 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -3.272 -1.017 -10.461 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.374 -1.395 -9.143 1.00 0.00 H +ATOM 200 N LYS A 13 -6.688 -5.891 -8.230 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.937 -6.640 -8.176 1.00 0.00 C +ATOM 202 C LYS A 13 -8.737 -6.278 -6.927 1.00 0.00 C +ATOM 203 O LYS A 13 -9.946 -6.011 -7.001 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.612 -8.119 -8.196 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.927 -8.549 -9.472 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.299 -9.912 -9.337 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.669 -10.361 -10.650 1.00 0.00 C +ATOM 208 NZ LYS A 13 -5.021 -11.684 -10.536 1.00 0.00 N +ATOM 209 H LYS A 13 -5.833 -6.374 -8.216 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.516 -6.398 -9.053 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -6.962 -8.344 -7.362 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.529 -8.680 -8.095 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.650 -8.570 -10.274 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -6.158 -7.828 -9.707 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.531 -9.821 -8.583 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -7.046 -10.621 -9.017 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -6.439 -10.416 -11.405 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -4.932 -9.630 -10.945 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -4.260 -11.655 -9.826 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -4.574 -11.936 -11.442 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -5.704 -12.419 -10.262 1.00 0.00 H +ATOM 222 N GLU A 14 -8.055 -6.210 -5.800 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.677 -5.813 -4.560 1.00 0.00 C +ATOM 224 C GLU A 14 -9.047 -4.330 -4.575 1.00 0.00 C +ATOM 225 O GLU A 14 -10.089 -3.951 -4.081 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.764 -6.149 -3.403 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.555 -7.640 -3.250 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.843 -8.364 -2.923 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -9.293 -8.319 -1.746 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -9.453 -8.959 -3.843 1.00 0.00 O +ATOM 231 H GLU A 14 -7.106 -6.468 -5.776 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.590 -6.384 -4.455 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.805 -5.679 -3.566 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.195 -5.770 -2.489 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -7.193 -8.012 -4.198 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.813 -7.835 -2.496 1.00 0.00 H +ATOM 237 N TRP A 15 -8.197 -3.517 -5.180 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.400 -2.067 -5.314 1.00 0.00 C +ATOM 239 C TRP A 15 -9.680 -1.772 -6.110 1.00 0.00 C +ATOM 240 O TRP A 15 -10.406 -0.818 -5.828 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.169 -1.465 -6.015 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.199 0.012 -6.242 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.540 0.653 -7.395 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.851 1.031 -5.300 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.430 2.008 -7.228 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.009 2.268 -5.951 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.425 1.020 -3.968 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.752 3.480 -5.319 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.172 2.223 -3.342 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.337 3.436 -4.016 1.00 0.00 C +ATOM 251 H TRP A 15 -7.360 -3.895 -5.538 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.484 -1.642 -4.325 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.292 -1.677 -5.423 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.058 -1.950 -6.974 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -7.851 0.143 -8.297 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.616 2.683 -7.920 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.293 0.091 -3.433 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.875 4.426 -5.823 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.841 2.239 -2.314 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.126 4.352 -3.486 1.00 0.00 H +ATOM 261 N ARG A 16 -9.932 -2.591 -7.105 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.128 -2.490 -7.932 1.00 0.00 C +ATOM 263 C ARG A 16 -12.348 -3.001 -7.175 1.00 0.00 C +ATOM 264 O ARG A 16 -13.474 -2.553 -7.399 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.923 -3.263 -9.229 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.792 -2.704 -10.066 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.484 -3.563 -11.266 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.322 -3.046 -11.986 1.00 0.00 N +ATOM 269 CZ ARG A 16 -7.579 -3.714 -12.871 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -7.929 -4.933 -13.256 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -6.506 -3.129 -13.399 1.00 0.00 N +ATOM 272 H ARG A 16 -9.264 -3.289 -7.296 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.279 -1.447 -8.165 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.687 -4.287 -8.977 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.831 -3.241 -9.811 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.054 -1.714 -10.406 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.909 -2.638 -9.446 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.270 -4.564 -10.922 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -10.338 -3.568 -11.927 1.00 0.00 H +ATOM 280 HE ARG A 16 -8.075 -2.119 -11.766 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.752 -5.389 -12.909 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -7.381 -5.446 -13.922 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -6.237 -2.188 -13.161 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -5.901 -3.587 -14.057 1.00 0.00 H +ATOM 285 N LYS A 17 -12.111 -3.929 -6.272 1.00 0.00 N +ATOM 286 CA LYS A 17 -13.153 -4.505 -5.440 1.00 0.00 C +ATOM 287 C LYS A 17 -13.538 -3.532 -4.309 1.00 0.00 C +ATOM 288 O LYS A 17 -14.659 -3.566 -3.789 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.664 -5.838 -4.858 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.689 -6.560 -4.022 1.00 0.00 C +ATOM 291 CD LYS A 17 -13.156 -7.867 -3.488 1.00 0.00 C +ATOM 292 CE LYS A 17 -14.187 -8.551 -2.614 1.00 0.00 C +ATOM 293 NZ LYS A 17 -15.436 -8.879 -3.356 1.00 0.00 N +ATOM 294 H LYS A 17 -11.190 -4.252 -6.163 1.00 0.00 H +ATOM 295 HA LYS A 17 -14.023 -4.690 -6.053 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -12.371 -6.490 -5.666 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.801 -5.643 -4.239 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -13.980 -5.930 -3.195 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -14.546 -6.762 -4.645 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -12.914 -8.513 -4.319 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -12.265 -7.683 -2.907 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -13.750 -9.454 -2.220 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -14.422 -7.878 -1.803 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -15.885 -8.036 -3.769 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -16.131 -9.305 -2.710 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -15.245 -9.566 -4.115 1.00 0.00 H +ATOM 307 N LEU A 18 -12.602 -2.684 -3.936 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.809 -1.678 -2.906 1.00 0.00 C +ATOM 309 C LEU A 18 -13.852 -0.669 -3.307 1.00 0.00 C +ATOM 310 O LEU A 18 -14.061 -0.400 -4.500 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.513 -0.943 -2.584 1.00 0.00 C +ATOM 312 CG LEU A 18 -10.833 -1.292 -1.266 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.456 -2.754 -1.199 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.622 -0.419 -1.072 1.00 0.00 C +ATOM 315 H LEU A 18 -11.724 -2.747 -4.372 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.139 -2.183 -2.010 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.814 -1.135 -3.385 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.732 0.115 -2.578 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.516 -1.091 -0.455 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -9.970 -2.953 -0.256 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -9.793 -3.000 -2.015 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -11.356 -3.347 -1.270 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.942 0.612 -1.059 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -8.925 -0.573 -1.883 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.152 -0.660 -0.131 1.00 0.00 H +ATOM 326 N GLY A 19 -14.511 -0.127 -2.319 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.497 0.881 -2.557 1.00 0.00 C +ATOM 328 C GLY A 19 -14.853 2.154 -3.017 1.00 0.00 C +ATOM 329 O GLY A 19 -13.733 2.469 -2.581 1.00 0.00 O +ATOM 330 H GLY A 19 -14.316 -0.421 -1.402 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.192 0.537 -3.309 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.030 1.074 -1.639 1.00 0.00 H +ATOM 333 N SER A 20 -15.537 2.867 -3.891 1.00 0.00 N +ATOM 334 CA SER A 20 -15.087 4.128 -4.463 1.00 0.00 C +ATOM 335 C SER A 20 -14.514 5.075 -3.397 1.00 0.00 C +ATOM 336 O SER A 20 -13.361 5.487 -3.480 1.00 0.00 O +ATOM 337 CB SER A 20 -16.275 4.787 -5.164 1.00 0.00 C +ATOM 338 OG SER A 20 -16.874 3.875 -6.078 1.00 0.00 O +ATOM 339 H SER A 20 -16.403 2.523 -4.204 1.00 0.00 H +ATOM 340 HA SER A 20 -14.333 3.918 -5.206 1.00 0.00 H +ATOM 341 HB2 SER A 20 -17.011 5.081 -4.429 1.00 0.00 H +ATOM 342 HB3 SER A 20 -15.936 5.655 -5.709 1.00 0.00 H +ATOM 343 HG SER A 20 -17.755 3.640 -5.758 1.00 0.00 H +ATOM 344 N THR A 21 -15.286 5.310 -2.364 1.00 0.00 N +ATOM 345 CA THR A 21 -14.930 6.250 -1.320 1.00 0.00 C +ATOM 346 C THR A 21 -13.744 5.721 -0.508 1.00 0.00 C +ATOM 347 O THR A 21 -12.851 6.482 -0.116 1.00 0.00 O +ATOM 348 CB THR A 21 -16.134 6.484 -0.379 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.330 6.663 -1.167 1.00 0.00 O +ATOM 350 CG2 THR A 21 -15.925 7.733 0.469 1.00 0.00 C +ATOM 351 H THR A 21 -16.124 4.806 -2.312 1.00 0.00 H +ATOM 352 HA THR A 21 -14.660 7.190 -1.778 1.00 0.00 H +ATOM 353 HB THR A 21 -16.246 5.628 0.267 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.055 6.953 -2.050 1.00 0.00 H +ATOM 355 HG21 THR A 21 -15.827 8.593 -0.177 1.00 0.00 H +ATOM 356 HG22 THR A 21 -15.027 7.623 1.058 1.00 0.00 H +ATOM 357 HG23 THR A 21 -16.772 7.870 1.125 1.00 0.00 H +ATOM 358 N VAL A 22 -13.718 4.412 -0.309 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.686 3.774 0.481 1.00 0.00 C +ATOM 360 C VAL A 22 -11.346 3.890 -0.219 1.00 0.00 C +ATOM 361 O VAL A 22 -10.355 4.337 0.373 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.030 2.274 0.707 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -11.907 1.537 1.406 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.311 2.145 1.506 1.00 0.00 C +ATOM 365 H VAL A 22 -14.402 3.856 -0.735 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.637 4.264 1.441 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.192 1.814 -0.258 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -10.995 1.636 0.837 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -12.165 0.491 1.490 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -11.768 1.949 2.393 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -15.128 2.554 0.933 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -14.211 2.696 2.430 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.505 1.107 1.729 1.00 0.00 H +ATOM 374 N ARG A 23 -11.332 3.560 -1.487 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.119 3.638 -2.243 1.00 0.00 C +ATOM 376 C ARG A 23 -9.662 5.068 -2.477 1.00 0.00 C +ATOM 377 O ARG A 23 -8.479 5.334 -2.482 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.148 2.831 -3.522 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.269 3.140 -4.484 1.00 0.00 C +ATOM 380 CD ARG A 23 -10.881 2.583 -5.828 1.00 0.00 C +ATOM 381 NE ARG A 23 -11.849 2.825 -6.888 1.00 0.00 N +ATOM 382 CZ ARG A 23 -11.921 2.085 -8.009 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -11.203 0.965 -8.117 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -12.744 2.433 -8.987 1.00 0.00 N +ATOM 385 H ARG A 23 -12.166 3.255 -1.912 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.372 3.205 -1.594 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.215 2.984 -4.045 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.216 1.786 -3.253 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.129 2.596 -4.116 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.525 4.191 -4.516 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -9.943 3.036 -6.113 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -10.735 1.518 -5.718 1.00 0.00 H +ATOM 393 HE ARG A 23 -12.424 3.615 -6.768 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -10.610 0.640 -7.376 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -11.228 0.430 -8.965 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -13.332 3.242 -8.924 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -12.817 1.903 -9.839 1.00 0.00 H +ATOM 398 N GLU A 24 -10.607 5.984 -2.665 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.281 7.399 -2.836 1.00 0.00 C +ATOM 400 C GLU A 24 -9.497 7.953 -1.665 1.00 0.00 C +ATOM 401 O GLU A 24 -8.522 8.680 -1.852 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.529 8.236 -3.081 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.050 8.140 -4.500 1.00 0.00 C +ATOM 404 CD GLU A 24 -13.208 9.063 -4.763 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -12.997 10.302 -4.805 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -14.324 8.589 -4.990 1.00 0.00 O +ATOM 407 H GLU A 24 -11.549 5.705 -2.708 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.651 7.467 -3.711 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.296 7.857 -2.422 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.348 9.267 -2.821 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -11.251 8.387 -5.182 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.368 7.124 -4.682 1.00 0.00 H +ATOM 413 N GLN A 25 -9.887 7.574 -0.470 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.221 8.038 0.723 1.00 0.00 C +ATOM 415 C GLN A 25 -7.833 7.411 0.855 1.00 0.00 C +ATOM 416 O GLN A 25 -6.879 8.065 1.310 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.075 7.733 1.912 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.320 8.569 2.007 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.296 8.007 3.000 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -12.266 8.311 4.187 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.167 7.181 2.519 1.00 0.00 N +ATOM 422 H GLN A 25 -10.637 6.944 -0.372 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.109 9.109 0.637 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.389 6.704 1.819 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.489 7.874 2.809 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.041 9.566 2.312 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -11.789 8.607 1.034 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.094 7.009 1.549 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -13.853 6.779 3.092 1.00 0.00 H +ATOM 430 N LEU A 26 -7.721 6.156 0.439 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.445 5.455 0.439 1.00 0.00 C +ATOM 432 C LEU A 26 -5.519 6.052 -0.598 1.00 0.00 C +ATOM 433 O LEU A 26 -4.332 6.213 -0.354 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.634 3.965 0.167 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.335 3.155 1.264 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.549 1.733 0.808 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.511 3.161 2.546 1.00 0.00 C +ATOM 438 H LEU A 26 -8.524 5.683 0.127 1.00 0.00 H +ATOM 439 HA LEU A 26 -5.996 5.582 1.412 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.207 3.888 -0.745 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.660 3.534 -0.012 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.299 3.595 1.476 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.152 1.728 -0.089 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.059 1.179 1.584 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -6.596 1.270 0.602 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -5.538 2.736 2.352 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -7.014 2.568 3.296 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -6.399 4.173 2.907 1.00 0.00 H +ATOM 449 N LYS A 27 -6.082 6.394 -1.745 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.342 7.017 -2.822 1.00 0.00 C +ATOM 451 C LYS A 27 -4.745 8.336 -2.363 1.00 0.00 C +ATOM 452 O LYS A 27 -3.605 8.636 -2.667 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.230 7.266 -4.026 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.474 7.873 -5.192 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.387 8.346 -6.298 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.205 9.551 -5.861 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.038 10.073 -6.960 1.00 0.00 N +ATOM 458 H LYS A 27 -7.033 6.179 -1.878 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.542 6.353 -3.107 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.663 6.325 -4.339 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.022 7.935 -3.727 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -4.929 8.723 -4.807 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -4.779 7.141 -5.578 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -5.793 8.616 -7.157 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.058 7.541 -6.557 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -7.850 9.263 -5.045 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.527 10.322 -5.523 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -7.451 10.376 -7.765 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -8.590 10.894 -6.642 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -8.700 9.346 -7.293 1.00 0.00 H +ATOM 471 N LYS A 28 -5.532 9.114 -1.626 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.056 10.381 -1.062 1.00 0.00 C +ATOM 473 C LYS A 28 -3.832 10.131 -0.195 1.00 0.00 C +ATOM 474 O LYS A 28 -2.840 10.870 -0.263 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.149 11.065 -0.240 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.350 11.498 -1.036 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.375 12.148 -0.131 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.588 12.590 -0.908 1.00 0.00 C +ATOM 479 NZ LYS A 28 -9.252 13.601 -1.936 1.00 0.00 N +ATOM 480 H LYS A 28 -6.459 8.824 -1.486 1.00 0.00 H +ATOM 481 HA LYS A 28 -4.772 11.023 -1.883 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.508 10.381 0.514 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -5.743 11.940 0.241 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.037 12.204 -1.792 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -7.791 10.635 -1.512 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -8.682 11.439 0.623 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -7.925 13.007 0.344 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -9.990 11.712 -1.392 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.310 12.995 -0.216 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -8.799 14.438 -1.521 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -10.104 13.915 -2.440 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -8.617 13.204 -2.659 1.00 0.00 H +ATOM 493 N LYS A 29 -3.892 9.059 0.579 1.00 0.00 N +ATOM 494 CA LYS A 29 -2.778 8.643 1.397 1.00 0.00 C +ATOM 495 C LYS A 29 -1.580 8.247 0.573 1.00 0.00 C +ATOM 496 O LYS A 29 -0.456 8.549 0.942 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.165 7.557 2.401 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.066 8.041 3.521 1.00 0.00 C +ATOM 499 CD LYS A 29 -3.374 9.135 4.293 1.00 0.00 C +ATOM 500 CE LYS A 29 -4.200 9.652 5.433 1.00 0.00 C +ATOM 501 NZ LYS A 29 -3.544 10.812 6.079 1.00 0.00 N +ATOM 502 H LYS A 29 -4.727 8.545 0.600 1.00 0.00 H +ATOM 503 HA LYS A 29 -2.463 9.516 1.935 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -3.682 6.770 1.872 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.264 7.155 2.841 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.983 8.426 3.099 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -4.285 7.217 4.186 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -2.436 8.767 4.681 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -3.187 9.954 3.615 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -5.177 9.918 5.058 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -4.296 8.848 6.148 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -3.239 11.491 5.344 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -2.717 10.523 6.636 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.209 11.305 6.709 1.00 0.00 H +ATOM 515 N LEU A 30 -1.822 7.610 -0.541 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.762 7.237 -1.455 1.00 0.00 C +ATOM 517 C LEU A 30 -0.109 8.492 -2.030 1.00 0.00 C +ATOM 518 O LEU A 30 1.113 8.589 -2.129 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.314 6.362 -2.579 1.00 0.00 C +ATOM 520 CG LEU A 30 -1.981 5.060 -2.138 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.544 4.315 -3.325 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.002 4.185 -1.374 1.00 0.00 C +ATOM 523 H LEU A 30 -2.751 7.370 -0.751 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.029 6.676 -0.896 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.038 6.944 -3.130 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.497 6.114 -3.242 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.803 5.300 -1.478 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -1.746 4.068 -4.008 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -3.267 4.933 -3.835 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -3.020 3.406 -2.989 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -0.671 4.723 -0.497 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -0.155 3.943 -1.996 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -1.495 3.276 -1.065 1.00 0.00 H +ATOM 534 N VAL A 31 -0.930 9.464 -2.358 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.457 10.712 -2.912 1.00 0.00 C +ATOM 536 C VAL A 31 0.395 11.496 -1.896 1.00 0.00 C +ATOM 537 O VAL A 31 1.491 11.972 -2.235 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.650 11.579 -3.424 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -1.187 12.938 -3.922 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -2.378 10.846 -4.532 1.00 0.00 C +ATOM 541 H VAL A 31 -1.894 9.315 -2.237 1.00 0.00 H +ATOM 542 HA VAL A 31 0.170 10.469 -3.757 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.353 11.730 -2.617 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -0.704 13.460 -3.108 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -2.042 13.505 -4.259 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -0.488 12.808 -4.735 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -2.756 9.917 -4.128 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -1.694 10.642 -5.343 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -3.202 11.448 -4.882 1.00 0.00 H +ATOM 550 N GLU A 32 -0.067 11.599 -0.651 1.00 0.00 N +ATOM 551 CA GLU A 32 0.712 12.300 0.369 1.00 0.00 C +ATOM 552 C GLU A 32 1.977 11.530 0.750 1.00 0.00 C +ATOM 553 O GLU A 32 3.038 12.120 0.943 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.106 12.662 1.623 1.00 0.00 C +ATOM 555 CG GLU A 32 -0.697 11.485 2.357 1.00 0.00 C +ATOM 556 CD GLU A 32 -1.231 11.844 3.720 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -0.454 11.820 4.695 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -2.438 12.125 3.860 1.00 0.00 O +ATOM 559 H GLU A 32 -0.946 11.218 -0.425 1.00 0.00 H +ATOM 560 HA GLU A 32 1.044 13.215 -0.101 1.00 0.00 H +ATOM 561 HB2 GLU A 32 0.528 13.196 2.313 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -0.915 13.309 1.316 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -1.514 11.120 1.754 1.00 0.00 H +ATOM 564 HG3 GLU A 32 0.053 10.713 2.457 1.00 0.00 H +ATOM 565 N VAL A 33 1.870 10.206 0.813 1.00 0.00 N +ATOM 566 CA VAL A 33 2.974 9.373 1.234 1.00 0.00 C +ATOM 567 C VAL A 33 4.155 9.460 0.267 1.00 0.00 C +ATOM 568 O VAL A 33 5.267 9.361 0.673 1.00 0.00 O +ATOM 569 CB VAL A 33 2.576 7.894 1.543 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.353 7.066 0.290 1.00 0.00 C +ATOM 571 CG2 VAL A 33 3.599 7.246 2.428 1.00 0.00 C +ATOM 572 H VAL A 33 1.015 9.773 0.589 1.00 0.00 H +ATOM 573 HA VAL A 33 3.319 9.828 2.153 1.00 0.00 H +ATOM 574 HB VAL A 33 1.641 7.918 2.084 1.00 0.00 H +ATOM 575 HG11 VAL A 33 3.283 6.991 -0.254 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.627 7.570 -0.330 1.00 0.00 H +ATOM 577 HG13 VAL A 33 1.999 6.081 0.553 1.00 0.00 H +ATOM 578 HG21 VAL A 33 3.241 6.275 2.741 1.00 0.00 H +ATOM 579 HG22 VAL A 33 3.818 7.865 3.285 1.00 0.00 H +ATOM 580 HG23 VAL A 33 4.479 7.105 1.820 1.00 0.00 H +ATOM 581 N LEU A 34 3.889 9.674 -1.004 1.00 0.00 N +ATOM 582 CA LEU A 34 4.940 9.777 -2.030 1.00 0.00 C +ATOM 583 C LEU A 34 6.001 10.838 -1.720 1.00 0.00 C +ATOM 584 O LEU A 34 7.140 10.707 -2.162 1.00 0.00 O +ATOM 585 CB LEU A 34 4.346 10.075 -3.400 1.00 0.00 C +ATOM 586 CG LEU A 34 3.489 8.990 -4.022 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.954 9.454 -5.363 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.296 7.719 -4.174 1.00 0.00 C +ATOM 589 H LEU A 34 2.951 9.735 -1.275 1.00 0.00 H +ATOM 590 HA LEU A 34 5.432 8.817 -2.079 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.737 10.963 -3.304 1.00 0.00 H +ATOM 592 HB3 LEU A 34 5.158 10.292 -4.076 1.00 0.00 H +ATOM 593 HG LEU A 34 2.648 8.785 -3.377 1.00 0.00 H +ATOM 594 HD11 LEU A 34 2.347 8.679 -5.808 1.00 0.00 H +ATOM 595 HD12 LEU A 34 3.787 9.690 -6.009 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.357 10.341 -5.218 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.565 7.338 -3.200 1.00 0.00 H +ATOM 598 HD22 LEU A 34 5.199 7.945 -4.722 1.00 0.00 H +ATOM 599 HD23 LEU A 34 3.731 6.977 -4.716 1.00 0.00 H +ATOM 600 N GLU A 35 5.643 11.871 -0.975 1.00 0.00 N +ATOM 601 CA GLU A 35 6.608 12.915 -0.670 1.00 0.00 C +ATOM 602 C GLU A 35 7.261 12.680 0.693 1.00 0.00 C +ATOM 603 O GLU A 35 8.217 13.368 1.065 1.00 0.00 O +ATOM 604 CB GLU A 35 5.986 14.312 -0.757 1.00 0.00 C +ATOM 605 CG GLU A 35 4.890 14.583 0.249 1.00 0.00 C +ATOM 606 CD GLU A 35 4.337 15.971 0.129 1.00 0.00 C +ATOM 607 OE1 GLU A 35 4.922 16.910 0.705 1.00 0.00 O +ATOM 608 OE2 GLU A 35 3.302 16.152 -0.551 1.00 0.00 O +ATOM 609 H GLU A 35 4.729 11.927 -0.622 1.00 0.00 H +ATOM 610 HA GLU A 35 7.387 12.834 -1.413 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.766 15.043 -0.603 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.578 14.446 -1.748 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.091 13.873 0.094 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.297 14.453 1.242 1.00 0.00 H +ATOM 615 N SER A 36 6.757 11.713 1.426 1.00 0.00 N +ATOM 616 CA SER A 36 7.284 11.366 2.733 1.00 0.00 C +ATOM 617 C SER A 36 6.964 9.888 3.067 1.00 0.00 C +ATOM 618 O SER A 36 6.200 9.617 3.966 1.00 0.00 O +ATOM 619 CB SER A 36 6.695 12.320 3.797 1.00 0.00 C +ATOM 620 OG SER A 36 5.259 12.335 3.738 1.00 0.00 O +ATOM 621 H SER A 36 6.012 11.177 1.074 1.00 0.00 H +ATOM 622 HA SER A 36 8.357 11.486 2.710 1.00 0.00 H +ATOM 623 HB2 SER A 36 6.998 11.994 4.781 1.00 0.00 H +ATOM 624 HB3 SER A 36 7.058 13.321 3.623 1.00 0.00 H +ATOM 625 HG SER A 36 4.999 11.408 3.667 1.00 0.00 H +ATOM 626 N PRO A 37 7.502 8.913 2.296 1.00 0.00 N +ATOM 627 CA PRO A 37 7.166 7.489 2.485 1.00 0.00 C +ATOM 628 C PRO A 37 7.913 6.799 3.618 1.00 0.00 C +ATOM 629 O PRO A 37 7.620 5.671 3.953 1.00 0.00 O +ATOM 630 CB PRO A 37 7.524 6.881 1.131 1.00 0.00 C +ATOM 631 CG PRO A 37 8.672 7.699 0.669 1.00 0.00 C +ATOM 632 CD PRO A 37 8.365 9.105 1.102 1.00 0.00 C +ATOM 633 HA PRO A 37 6.112 7.359 2.662 1.00 0.00 H +ATOM 634 HB2 PRO A 37 7.782 5.838 1.232 1.00 0.00 H +ATOM 635 HB3 PRO A 37 6.686 6.982 0.457 1.00 0.00 H +ATOM 636 HG2 PRO A 37 9.583 7.350 1.135 1.00 0.00 H +ATOM 637 HG3 PRO A 37 8.759 7.647 -0.407 1.00 0.00 H +ATOM 638 HD2 PRO A 37 9.258 9.661 1.341 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.788 9.599 0.330 1.00 0.00 H +ATOM 640 N ARG A 38 8.823 7.493 4.230 1.00 0.00 N +ATOM 641 CA ARG A 38 9.640 6.923 5.296 1.00 0.00 C +ATOM 642 C ARG A 38 9.032 7.152 6.688 1.00 0.00 C +ATOM 643 O ARG A 38 9.744 7.340 7.668 1.00 0.00 O +ATOM 644 CB ARG A 38 11.100 7.428 5.167 1.00 0.00 C +ATOM 645 CG ARG A 38 11.277 8.933 4.892 1.00 0.00 C +ATOM 646 CD ARG A 38 10.968 9.819 6.091 1.00 0.00 C +ATOM 647 NE ARG A 38 11.892 9.578 7.206 1.00 0.00 N +ATOM 648 CZ ARG A 38 11.670 9.943 8.478 1.00 0.00 C +ATOM 649 NH1 ARG A 38 10.563 10.622 8.802 1.00 0.00 N +ATOM 650 NH2 ARG A 38 12.566 9.653 9.413 1.00 0.00 N +ATOM 651 H ARG A 38 8.926 8.425 3.954 1.00 0.00 H +ATOM 652 HA ARG A 38 9.638 5.855 5.129 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.617 7.204 6.089 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.578 6.879 4.369 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.301 9.100 4.603 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.634 9.210 4.069 1.00 0.00 H +ATOM 657 HD2 ARG A 38 11.051 10.852 5.787 1.00 0.00 H +ATOM 658 HD3 ARG A 38 9.960 9.620 6.423 1.00 0.00 H +ATOM 659 HE ARG A 38 12.723 9.110 6.958 1.00 0.00 H +ATOM 660 HH11 ARG A 38 9.880 10.876 8.111 1.00 0.00 H +ATOM 661 HH12 ARG A 38 10.360 10.924 9.739 1.00 0.00 H +ATOM 662 HH21 ARG A 38 13.421 9.170 9.207 1.00 0.00 H +ATOM 663 HH22 ARG A 38 12.432 9.904 10.375 1.00 0.00 H +ATOM 664 N ILE A 39 7.724 7.017 6.775 1.00 0.00 N +ATOM 665 CA ILE A 39 7.003 7.282 8.011 1.00 0.00 C +ATOM 666 C ILE A 39 7.063 6.071 8.947 1.00 0.00 C +ATOM 667 O ILE A 39 6.479 5.019 8.663 1.00 0.00 O +ATOM 668 CB ILE A 39 5.516 7.664 7.732 1.00 0.00 C +ATOM 669 CG1 ILE A 39 5.456 8.938 6.885 1.00 0.00 C +ATOM 670 CG2 ILE A 39 4.735 7.851 9.035 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.057 9.358 6.475 1.00 0.00 C +ATOM 672 H ILE A 39 7.241 6.699 5.984 1.00 0.00 H +ATOM 673 HA ILE A 39 7.493 8.121 8.482 1.00 0.00 H +ATOM 674 HB ILE A 39 5.058 6.859 7.178 1.00 0.00 H +ATOM 675 HG12 ILE A 39 5.888 9.754 7.444 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.035 8.786 5.985 1.00 0.00 H +ATOM 677 HG21 ILE A 39 5.172 8.651 9.613 1.00 0.00 H +ATOM 678 HG22 ILE A 39 4.770 6.936 9.609 1.00 0.00 H +ATOM 679 HG23 ILE A 39 3.707 8.089 8.808 1.00 0.00 H +ATOM 680 HD11 ILE A 39 3.467 9.573 7.354 1.00 0.00 H +ATOM 681 HD12 ILE A 39 3.595 8.559 5.914 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.123 10.240 5.854 1.00 0.00 H +ATOM 683 N GLU A 40 7.743 6.252 10.075 1.00 0.00 N +ATOM 684 CA GLU A 40 7.957 5.195 11.080 1.00 0.00 C +ATOM 685 C GLU A 40 6.642 4.642 11.608 1.00 0.00 C +ATOM 686 O GLU A 40 6.517 3.449 11.904 1.00 0.00 O +ATOM 687 CB GLU A 40 8.764 5.735 12.271 1.00 0.00 C +ATOM 688 CG GLU A 40 8.134 6.948 12.938 1.00 0.00 C +ATOM 689 CD GLU A 40 8.560 7.109 14.357 1.00 0.00 C +ATOM 690 OE1 GLU A 40 7.934 6.473 15.241 1.00 0.00 O +ATOM 691 OE2 GLU A 40 9.497 7.873 14.633 1.00 0.00 O +ATOM 692 H GLU A 40 8.124 7.143 10.240 1.00 0.00 H +ATOM 693 HA GLU A 40 8.518 4.397 10.619 1.00 0.00 H +ATOM 694 HB2 GLU A 40 8.847 4.956 13.014 1.00 0.00 H +ATOM 695 HB3 GLU A 40 9.754 6.008 11.937 1.00 0.00 H +ATOM 696 HG2 GLU A 40 8.426 7.834 12.397 1.00 0.00 H +ATOM 697 HG3 GLU A 40 7.060 6.842 12.904 1.00 0.00 H +ATOM 698 N ALA A 41 5.666 5.517 11.678 1.00 0.00 N +ATOM 699 CA ALA A 41 4.368 5.220 12.244 1.00 0.00 C +ATOM 700 C ALA A 41 3.584 4.276 11.372 1.00 0.00 C +ATOM 701 O ALA A 41 2.699 3.570 11.844 1.00 0.00 O +ATOM 702 CB ALA A 41 3.596 6.500 12.449 1.00 0.00 C +ATOM 703 H ALA A 41 5.868 6.407 11.325 1.00 0.00 H +ATOM 704 HA ALA A 41 4.526 4.773 13.213 1.00 0.00 H +ATOM 705 HB1 ALA A 41 4.170 7.159 13.083 1.00 0.00 H +ATOM 706 HB2 ALA A 41 2.649 6.278 12.917 1.00 0.00 H +ATOM 707 HB3 ALA A 41 3.422 6.979 11.497 1.00 0.00 H +ATOM 708 N ASN A 42 3.919 4.248 10.113 1.00 0.00 N +ATOM 709 CA ASN A 42 3.208 3.424 9.173 1.00 0.00 C +ATOM 710 C ASN A 42 3.992 2.179 8.836 1.00 0.00 C +ATOM 711 O ASN A 42 3.463 1.272 8.239 1.00 0.00 O +ATOM 712 CB ASN A 42 2.880 4.195 7.877 1.00 0.00 C +ATOM 713 CG ASN A 42 1.870 5.323 8.060 1.00 0.00 C +ATOM 714 OD1 ASN A 42 0.991 5.267 8.921 1.00 0.00 O +ATOM 715 ND2 ASN A 42 1.983 6.351 7.250 1.00 0.00 N +ATOM 716 H ASN A 42 4.685 4.780 9.807 1.00 0.00 H +ATOM 717 HA ASN A 42 2.277 3.130 9.635 1.00 0.00 H +ATOM 718 HB2 ASN A 42 3.791 4.626 7.488 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.487 3.499 7.150 1.00 0.00 H +ATOM 720 HD21 ASN A 42 2.700 6.339 6.582 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.347 7.092 7.344 1.00 0.00 H +ATOM 722 N LYS A 43 5.246 2.129 9.219 1.00 0.00 N +ATOM 723 CA LYS A 43 6.094 1.038 8.866 1.00 0.00 C +ATOM 724 C LYS A 43 5.637 -0.272 9.519 1.00 0.00 C +ATOM 725 O LYS A 43 5.159 -0.278 10.660 1.00 0.00 O +ATOM 726 CB LYS A 43 7.515 1.377 9.241 1.00 0.00 C +ATOM 727 CG LYS A 43 8.485 0.667 8.379 1.00 0.00 C +ATOM 728 CD LYS A 43 9.898 1.124 8.617 1.00 0.00 C +ATOM 729 CE LYS A 43 10.832 0.487 7.603 1.00 0.00 C +ATOM 730 NZ LYS A 43 12.232 0.887 7.796 1.00 0.00 N +ATOM 731 H LYS A 43 5.666 2.833 9.751 1.00 0.00 H +ATOM 732 HA LYS A 43 6.046 0.925 7.794 1.00 0.00 H +ATOM 733 HB2 LYS A 43 7.664 2.442 9.136 1.00 0.00 H +ATOM 734 HB3 LYS A 43 7.691 1.090 10.267 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.383 -0.391 8.555 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.178 0.920 7.377 1.00 0.00 H +ATOM 737 HD2 LYS A 43 9.925 2.202 8.528 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.197 0.840 9.613 1.00 0.00 H +ATOM 739 HE2 LYS A 43 10.758 -0.587 7.693 1.00 0.00 H +ATOM 740 HE3 LYS A 43 10.512 0.783 6.615 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 12.564 0.601 8.738 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 12.343 1.918 7.716 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.843 0.437 7.083 1.00 0.00 H +ATOM 744 N LEU A 44 5.758 -1.370 8.782 1.00 0.00 N +ATOM 745 CA LEU A 44 5.333 -2.672 9.276 1.00 0.00 C +ATOM 746 C LEU A 44 6.267 -3.216 10.353 1.00 0.00 C +ATOM 747 O LEU A 44 7.373 -2.698 10.553 1.00 0.00 O +ATOM 748 CB LEU A 44 5.170 -3.697 8.142 1.00 0.00 C +ATOM 749 CG LEU A 44 4.079 -3.410 7.102 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.962 -4.558 6.129 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.744 -3.160 7.768 1.00 0.00 C +ATOM 752 H LEU A 44 6.145 -1.299 7.880 1.00 0.00 H +ATOM 753 HA LEU A 44 4.368 -2.527 9.739 1.00 0.00 H +ATOM 754 HB2 LEU A 44 6.113 -3.771 7.620 1.00 0.00 H +ATOM 755 HB3 LEU A 44 4.960 -4.658 8.590 1.00 0.00 H +ATOM 756 HG LEU A 44 4.351 -2.529 6.541 1.00 0.00 H +ATOM 757 HD11 LEU A 44 3.743 -5.467 6.670 1.00 0.00 H +ATOM 758 HD12 LEU A 44 4.888 -4.673 5.585 1.00 0.00 H +ATOM 759 HD13 LEU A 44 3.159 -4.357 5.439 1.00 0.00 H +ATOM 760 HD21 LEU A 44 1.986 -3.030 7.010 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.823 -2.255 8.350 1.00 0.00 H +ATOM 762 HD23 LEU A 44 2.489 -3.991 8.408 1.00 0.00 H +ATOM 763 N ARG A 45 5.808 -4.277 11.014 1.00 0.00 N +ATOM 764 CA ARG A 45 6.515 -4.925 12.123 1.00 0.00 C +ATOM 765 C ARG A 45 7.897 -5.412 11.687 1.00 0.00 C +ATOM 766 O ARG A 45 8.894 -5.212 12.381 1.00 0.00 O +ATOM 767 CB ARG A 45 5.693 -6.119 12.604 1.00 0.00 C +ATOM 768 CG ARG A 45 6.271 -6.859 13.799 1.00 0.00 C +ATOM 769 CD ARG A 45 5.523 -8.159 14.026 1.00 0.00 C +ATOM 770 NE ARG A 45 5.705 -9.082 12.890 1.00 0.00 N +ATOM 771 CZ ARG A 45 4.722 -9.760 12.265 1.00 0.00 C +ATOM 772 NH1 ARG A 45 3.463 -9.661 12.676 1.00 0.00 N +ATOM 773 NH2 ARG A 45 5.011 -10.552 11.238 1.00 0.00 N +ATOM 774 H ARG A 45 4.936 -4.644 10.742 1.00 0.00 H +ATOM 775 HA ARG A 45 6.613 -4.222 12.937 1.00 0.00 H +ATOM 776 HB2 ARG A 45 4.706 -5.771 12.871 1.00 0.00 H +ATOM 777 HB3 ARG A 45 5.602 -6.818 11.785 1.00 0.00 H +ATOM 778 HG2 ARG A 45 7.311 -7.077 13.607 1.00 0.00 H +ATOM 779 HG3 ARG A 45 6.180 -6.236 14.677 1.00 0.00 H +ATOM 780 HD2 ARG A 45 5.888 -8.629 14.928 1.00 0.00 H +ATOM 781 HD3 ARG A 45 4.472 -7.934 14.129 1.00 0.00 H +ATOM 782 HE ARG A 45 6.640 -9.183 12.602 1.00 0.00 H +ATOM 783 HH11 ARG A 45 3.181 -9.101 13.461 1.00 0.00 H +ATOM 784 HH12 ARG A 45 2.710 -10.134 12.209 1.00 0.00 H +ATOM 785 HH21 ARG A 45 5.944 -10.681 10.887 1.00 0.00 H +ATOM 786 HH22 ARG A 45 4.293 -11.076 10.770 1.00 0.00 H +ATOM 787 N GLY A 46 7.939 -6.056 10.556 1.00 0.00 N +ATOM 788 CA GLY A 46 9.168 -6.565 10.046 1.00 0.00 C +ATOM 789 C GLY A 46 8.999 -7.022 8.640 1.00 0.00 C +ATOM 790 O GLY A 46 8.680 -8.183 8.396 1.00 0.00 O +ATOM 791 H GLY A 46 7.114 -6.190 10.044 1.00 0.00 H +ATOM 792 HA2 GLY A 46 9.911 -5.783 10.087 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.490 -7.399 10.652 1.00 0.00 H +ATOM 794 N MET A 47 9.157 -6.102 7.725 1.00 0.00 N +ATOM 795 CA MET A 47 9.012 -6.340 6.301 1.00 0.00 C +ATOM 796 C MET A 47 9.952 -5.397 5.581 1.00 0.00 C +ATOM 797 O MET A 47 10.157 -4.284 6.074 1.00 0.00 O +ATOM 798 CB MET A 47 7.573 -6.060 5.846 1.00 0.00 C +ATOM 799 CG MET A 47 6.528 -7.064 6.312 1.00 0.00 C +ATOM 800 SD MET A 47 6.783 -8.716 5.636 1.00 0.00 S +ATOM 801 CE MET A 47 6.656 -8.377 3.883 1.00 0.00 C +ATOM 802 H MET A 47 9.430 -5.195 7.989 1.00 0.00 H +ATOM 803 HA MET A 47 9.270 -7.368 6.099 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.293 -5.092 6.235 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.555 -6.014 4.767 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.568 -7.123 7.390 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.553 -6.714 6.012 1.00 0.00 H +ATOM 808 HE1 MET A 47 7.447 -7.707 3.582 1.00 0.00 H +ATOM 809 HE2 MET A 47 5.704 -7.906 3.683 1.00 0.00 H +ATOM 810 HE3 MET A 47 6.728 -9.297 3.326 1.00 0.00 H +ATOM 811 N PRO A 48 10.544 -5.809 4.426 1.00 0.00 N +ATOM 812 CA PRO A 48 11.510 -4.981 3.662 1.00 0.00 C +ATOM 813 C PRO A 48 10.952 -3.619 3.218 1.00 0.00 C +ATOM 814 O PRO A 48 10.331 -3.502 2.139 1.00 0.00 O +ATOM 815 CB PRO A 48 11.855 -5.846 2.442 1.00 0.00 C +ATOM 816 CG PRO A 48 11.544 -7.235 2.873 1.00 0.00 C +ATOM 817 CD PRO A 48 10.348 -7.122 3.773 1.00 0.00 C +ATOM 818 HA PRO A 48 12.401 -4.807 4.241 1.00 0.00 H +ATOM 819 HB2 PRO A 48 11.249 -5.541 1.602 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.901 -5.736 2.195 1.00 0.00 H +ATOM 821 HG2 PRO A 48 11.317 -7.846 2.011 1.00 0.00 H +ATOM 822 HG3 PRO A 48 12.382 -7.647 3.416 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.441 -7.133 3.186 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.348 -7.924 4.497 1.00 0.00 H +ATOM 825 N ASP A 49 11.126 -2.619 4.093 1.00 0.00 N +ATOM 826 CA ASP A 49 10.666 -1.230 3.892 1.00 0.00 C +ATOM 827 C ASP A 49 9.225 -1.168 3.440 1.00 0.00 C +ATOM 828 O ASP A 49 8.864 -0.432 2.515 1.00 0.00 O +ATOM 829 CB ASP A 49 11.592 -0.407 2.974 1.00 0.00 C +ATOM 830 CG ASP A 49 12.935 -0.090 3.612 1.00 0.00 C +ATOM 831 OD1 ASP A 49 13.007 0.049 4.873 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.938 0.068 2.874 1.00 0.00 O +ATOM 833 H ASP A 49 11.578 -2.844 4.938 1.00 0.00 H +ATOM 834 HA ASP A 49 10.678 -0.781 4.875 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.772 -0.967 2.068 1.00 0.00 H +ATOM 836 HB3 ASP A 49 11.099 0.520 2.721 1.00 0.00 H +ATOM 837 N CYS A 50 8.401 -1.949 4.091 1.00 0.00 N +ATOM 838 CA CYS A 50 7.000 -1.981 3.786 1.00 0.00 C +ATOM 839 C CYS A 50 6.240 -1.175 4.824 1.00 0.00 C +ATOM 840 O CYS A 50 6.591 -1.188 6.021 1.00 0.00 O +ATOM 841 CB CYS A 50 6.502 -3.418 3.744 1.00 0.00 C +ATOM 842 SG CYS A 50 7.418 -4.494 2.610 1.00 0.00 S +ATOM 843 H CYS A 50 8.752 -2.514 4.810 1.00 0.00 H +ATOM 844 HA CYS A 50 6.852 -1.523 2.823 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.593 -3.836 4.734 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.464 -3.425 3.448 1.00 0.00 H +ATOM 847 HG CYS A 50 8.565 -3.885 2.325 1.00 0.00 H +ATOM 848 N TYR A 51 5.230 -0.478 4.383 1.00 0.00 N +ATOM 849 CA TYR A 51 4.462 0.391 5.238 1.00 0.00 C +ATOM 850 C TYR A 51 2.979 0.096 5.044 1.00 0.00 C +ATOM 851 O TYR A 51 2.581 -0.507 4.031 1.00 0.00 O +ATOM 852 CB TYR A 51 4.756 1.883 4.933 1.00 0.00 C +ATOM 853 CG TYR A 51 6.223 2.314 5.050 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.150 1.959 4.084 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.666 3.084 6.111 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.471 2.346 4.170 1.00 0.00 C +ATOM 857 CE2 TYR A 51 7.995 3.479 6.204 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.889 3.102 5.226 1.00 0.00 C +ATOM 859 OH TYR A 51 10.213 3.492 5.306 1.00 0.00 O +ATOM 860 H TYR A 51 4.958 -0.569 3.441 1.00 0.00 H +ATOM 861 HA TYR A 51 4.730 0.177 6.262 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.436 2.098 3.925 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.177 2.490 5.614 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.824 1.356 3.249 1.00 0.00 H +ATOM 865 HD2 TYR A 51 5.964 3.378 6.878 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.170 2.052 3.401 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.323 4.077 7.041 1.00 0.00 H +ATOM 868 HH TYR A 51 10.513 3.752 4.423 1.00 0.00 H +ATOM 869 N LYS A 52 2.193 0.517 5.992 1.00 0.00 N +ATOM 870 CA LYS A 52 0.778 0.277 6.027 1.00 0.00 C +ATOM 871 C LYS A 52 0.042 1.609 5.935 1.00 0.00 C +ATOM 872 O LYS A 52 0.616 2.669 6.192 1.00 0.00 O +ATOM 873 CB LYS A 52 0.400 -0.379 7.389 1.00 0.00 C +ATOM 874 CG LYS A 52 0.395 0.621 8.571 1.00 0.00 C +ATOM 875 CD LYS A 52 0.224 -0.021 9.943 1.00 0.00 C +ATOM 876 CE LYS A 52 1.479 -0.752 10.388 1.00 0.00 C +ATOM 877 NZ LYS A 52 1.379 -1.206 11.785 1.00 0.00 N +ATOM 878 H LYS A 52 2.581 1.033 6.731 1.00 0.00 H +ATOM 879 HA LYS A 52 0.487 -0.390 5.230 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.584 -0.815 7.303 1.00 0.00 H +ATOM 881 HB3 LYS A 52 1.114 -1.157 7.610 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.333 1.156 8.568 1.00 0.00 H +ATOM 883 HG3 LYS A 52 -0.405 1.330 8.410 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -0.006 0.745 10.666 1.00 0.00 H +ATOM 885 HD3 LYS A 52 -0.596 -0.725 9.898 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.603 -1.623 9.764 1.00 0.00 H +ATOM 887 HE3 LYS A 52 2.332 -0.097 10.283 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 0.570 -1.848 11.908 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 1.263 -0.396 12.427 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 2.241 -1.711 12.065 1.00 0.00 H +ATOM 891 N ILE A 53 -1.182 1.546 5.536 1.00 0.00 N +ATOM 892 CA ILE A 53 -2.084 2.658 5.628 1.00 0.00 C +ATOM 893 C ILE A 53 -3.326 2.137 6.292 1.00 0.00 C +ATOM 894 O ILE A 53 -3.801 1.048 5.949 1.00 0.00 O +ATOM 895 CB ILE A 53 -2.475 3.272 4.250 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -1.239 3.757 3.504 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -3.468 4.436 4.440 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -1.534 4.306 2.129 1.00 0.00 C +ATOM 899 H ILE A 53 -1.494 0.704 5.137 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.631 3.411 6.257 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.969 2.509 3.670 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.755 4.531 4.082 1.00 0.00 H +ATOM 903 HG13 ILE A 53 -0.567 2.918 3.398 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -3.735 4.843 3.475 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -3.017 5.216 5.036 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -4.357 4.075 4.935 1.00 0.00 H +ATOM 907 HD11 ILE A 53 -1.933 3.521 1.506 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -0.633 4.706 1.687 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -2.267 5.093 2.215 1.00 0.00 H +ATOM 910 N LYS A 54 -3.817 2.858 7.244 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.022 2.496 7.910 1.00 0.00 C +ATOM 912 C LYS A 54 -6.029 3.576 7.637 1.00 0.00 C +ATOM 913 O LYS A 54 -5.755 4.759 7.862 1.00 0.00 O +ATOM 914 CB LYS A 54 -4.843 2.208 9.433 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.337 3.355 10.301 1.00 0.00 C +ATOM 916 CD LYS A 54 -2.857 3.659 10.107 1.00 0.00 C +ATOM 917 CE LYS A 54 -2.495 4.876 10.896 1.00 0.00 C +ATOM 918 NZ LYS A 54 -1.077 5.275 10.739 1.00 0.00 N +ATOM 919 H LYS A 54 -3.390 3.708 7.467 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.362 1.604 7.415 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.803 1.911 9.830 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.162 1.377 9.539 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.902 4.243 10.060 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -4.512 3.099 11.336 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -2.275 2.823 10.465 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -2.630 3.836 9.069 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -3.145 5.652 10.522 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -2.723 4.671 11.932 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -0.450 4.491 11.006 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -0.843 6.059 11.382 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -0.848 5.562 9.765 1.00 0.00 H +ATOM 932 N LEU A 55 -7.144 3.197 7.085 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.135 4.151 6.679 1.00 0.00 C +ATOM 934 C LEU A 55 -8.858 4.724 7.885 1.00 0.00 C +ATOM 935 O LEU A 55 -9.211 4.001 8.817 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.118 3.523 5.696 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.961 4.492 4.875 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -9.067 5.332 4.016 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -10.944 3.732 4.022 1.00 0.00 C +ATOM 940 H LEU A 55 -7.314 2.241 6.932 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.612 4.953 6.180 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.557 2.903 5.012 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.787 2.888 6.258 1.00 0.00 H +ATOM 944 HG LEU A 55 -10.509 5.195 5.482 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -8.493 4.701 3.356 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -8.411 5.928 4.630 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -9.691 5.985 3.430 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.550 4.427 3.458 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -11.571 3.119 4.650 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -10.391 3.107 3.338 1.00 0.00 H +ATOM 951 N ARG A 56 -9.044 6.021 7.862 1.00 0.00 N +ATOM 952 CA ARG A 56 -9.679 6.750 8.943 1.00 0.00 C +ATOM 953 C ARG A 56 -11.168 6.400 9.091 1.00 0.00 C +ATOM 954 O ARG A 56 -11.670 6.268 10.203 1.00 0.00 O +ATOM 955 CB ARG A 56 -9.509 8.261 8.711 1.00 0.00 C +ATOM 956 CG ARG A 56 -10.166 9.151 9.761 1.00 0.00 C +ATOM 957 CD ARG A 56 -9.572 8.936 11.137 1.00 0.00 C +ATOM 958 NE ARG A 56 -10.201 9.798 12.142 1.00 0.00 N +ATOM 959 CZ ARG A 56 -9.765 9.954 13.393 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -8.713 9.281 13.816 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -10.401 10.767 14.225 1.00 0.00 N +ATOM 962 H ARG A 56 -8.707 6.526 7.091 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.165 6.493 9.857 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -8.454 8.489 8.695 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -9.928 8.506 7.746 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -10.026 10.184 9.485 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -11.223 8.929 9.795 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -9.719 7.905 11.424 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -8.515 9.154 11.101 1.00 0.00 H +ATOM 970 HE ARG A 56 -11.001 10.284 11.835 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -8.220 8.637 13.224 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -8.352 9.401 14.743 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -11.218 11.280 13.947 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -10.108 10.899 15.177 1.00 0.00 H +ATOM 975 N SER A 57 -11.849 6.253 7.989 1.00 0.00 N +ATOM 976 CA SER A 57 -13.268 6.020 8.005 1.00 0.00 C +ATOM 977 C SER A 57 -13.626 4.538 8.200 1.00 0.00 C +ATOM 978 O SER A 57 -14.255 4.159 9.196 1.00 0.00 O +ATOM 979 CB SER A 57 -13.841 6.566 6.713 1.00 0.00 C +ATOM 980 OG SER A 57 -13.029 6.148 5.619 1.00 0.00 O +ATOM 981 H SER A 57 -11.410 6.297 7.115 1.00 0.00 H +ATOM 982 HA SER A 57 -13.685 6.594 8.819 1.00 0.00 H +ATOM 983 HB2 SER A 57 -14.846 6.193 6.573 1.00 0.00 H +ATOM 984 HB3 SER A 57 -13.851 7.645 6.745 1.00 0.00 H +ATOM 985 HG SER A 57 -12.828 6.941 5.095 1.00 0.00 H +ATOM 986 N SER A 58 -13.241 3.717 7.255 1.00 0.00 N +ATOM 987 CA SER A 58 -13.543 2.309 7.305 1.00 0.00 C +ATOM 988 C SER A 58 -12.296 1.522 7.682 1.00 0.00 C +ATOM 989 O SER A 58 -11.181 2.024 7.531 1.00 0.00 O +ATOM 990 CB SER A 58 -14.071 1.871 5.948 1.00 0.00 C +ATOM 991 OG SER A 58 -15.154 2.703 5.554 1.00 0.00 O +ATOM 992 H SER A 58 -12.722 4.075 6.503 1.00 0.00 H +ATOM 993 HA SER A 58 -14.307 2.148 8.049 1.00 0.00 H +ATOM 994 HB2 SER A 58 -13.287 1.944 5.210 1.00 0.00 H +ATOM 995 HB3 SER A 58 -14.422 0.851 6.007 1.00 0.00 H +ATOM 996 HG SER A 58 -14.974 3.594 5.875 1.00 0.00 H +ATOM 997 N GLY A 59 -12.480 0.299 8.146 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.371 -0.528 8.561 1.00 0.00 C +ATOM 999 C GLY A 59 -10.659 -1.172 7.391 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.676 -2.387 7.229 1.00 0.00 O +ATOM 1001 H GLY A 59 -13.384 -0.075 8.209 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.665 0.080 9.109 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.742 -1.305 9.214 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.061 -0.362 6.576 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.310 -0.828 5.447 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.856 -0.509 5.618 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.494 0.562 6.125 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.853 -0.280 4.131 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.017 -1.077 3.596 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.311 -0.899 4.073 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -10.810 -2.025 2.612 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.358 -1.653 3.576 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -11.843 -2.773 2.110 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.111 -2.590 2.591 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.133 -3.359 2.097 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.114 0.601 6.766 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.421 -1.905 5.441 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.186 0.737 4.282 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.068 -0.292 3.390 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.492 -0.164 4.843 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -9.809 -2.173 2.232 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.359 -1.504 3.954 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -11.654 -3.507 1.341 1.00 0.00 H +ATOM 1024 HH TYR A 60 -14.865 -2.761 1.901 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.035 -1.443 5.238 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.623 -1.349 5.386 1.00 0.00 C +ATOM 1027 C ARG A 61 -4.948 -1.632 4.061 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.352 -2.531 3.319 1.00 0.00 O +ATOM 1029 CB ARG A 61 -5.179 -2.334 6.460 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.756 -2.000 7.824 1.00 0.00 C +ATOM 1031 CD ARG A 61 -5.569 -3.118 8.810 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.029 -2.722 10.150 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -6.269 -3.541 11.184 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -6.212 -4.866 11.044 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -6.616 -3.023 12.349 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.377 -2.263 4.817 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.376 -0.350 5.710 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.501 -3.326 6.179 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -4.102 -2.318 6.532 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -5.267 -1.117 8.206 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -6.812 -1.799 7.710 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -6.140 -3.967 8.460 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -4.522 -3.371 8.834 1.00 0.00 H +ATOM 1044 HE ARG A 61 -6.151 -1.751 10.280 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -6.004 -5.317 10.166 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -6.373 -5.486 11.816 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -6.702 -2.031 12.469 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -6.823 -3.598 13.145 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.959 -0.862 3.758 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.230 -0.991 2.521 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.767 -1.225 2.866 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.252 -0.598 3.787 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.453 0.301 1.678 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.913 0.352 0.227 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.566 1.492 -0.525 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.423 0.566 0.207 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.686 -0.172 4.401 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.612 -1.844 1.986 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.514 0.495 1.638 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -2.998 1.115 2.224 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.140 -0.574 -0.280 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.364 2.421 -0.014 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -4.632 1.329 -0.583 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.152 1.534 -1.522 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -0.931 -0.259 0.702 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.212 1.483 0.737 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.080 0.646 -0.813 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.125 -2.153 2.177 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.272 -2.474 2.422 1.00 0.00 C +ATOM 1070 C VAL A 63 1.091 -2.346 1.141 1.00 0.00 C +ATOM 1071 O VAL A 63 0.745 -2.923 0.092 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.443 -3.896 3.036 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.913 -4.287 3.128 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.187 -3.946 4.415 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.580 -2.645 1.455 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.645 -1.747 3.128 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.067 -4.609 2.405 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.443 -3.546 3.707 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.337 -4.333 2.136 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 2.002 -5.251 3.607 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 0.276 -3.204 5.049 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.031 -4.926 4.842 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -1.245 -3.746 4.337 1.00 0.00 H +ATOM 1084 N TYR A 64 2.160 -1.605 1.226 1.00 0.00 N +ATOM 1085 CA TYR A 64 3.024 -1.375 0.101 1.00 0.00 C +ATOM 1086 C TYR A 64 4.464 -1.461 0.527 1.00 0.00 C +ATOM 1087 O TYR A 64 4.773 -1.305 1.712 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.743 0.008 -0.531 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.825 1.177 0.429 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.039 1.667 0.895 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.681 1.783 0.862 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.083 2.721 1.768 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.717 2.834 1.723 1.00 0.00 C +ATOM 1094 CZ TYR A 64 2.913 3.301 2.181 1.00 0.00 C +ATOM 1095 OH TYR A 64 2.937 4.332 3.073 1.00 0.00 O +ATOM 1096 H TYR A 64 2.401 -1.204 2.092 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.825 -2.136 -0.640 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.437 0.196 -1.336 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.743 -0.001 -0.938 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.954 1.200 0.564 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.736 1.414 0.499 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.035 3.093 2.118 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.790 3.288 2.032 1.00 0.00 H +ATOM 1104 HH TYR A 64 2.269 4.159 3.742 1.00 0.00 H +ATOM 1105 N GLN A 65 5.325 -1.708 -0.409 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.728 -1.674 -0.154 1.00 0.00 C +ATOM 1107 C GLN A 65 7.291 -0.459 -0.825 1.00 0.00 C +ATOM 1108 O GLN A 65 6.935 -0.143 -1.969 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.464 -2.939 -0.630 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.325 -3.254 -2.118 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.185 -4.427 -2.568 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.816 -5.163 -3.478 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.355 -4.582 -1.982 1.00 0.00 N +ATOM 1114 H GLN A 65 5.009 -1.891 -1.323 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.862 -1.559 0.910 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.513 -2.812 -0.413 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 7.098 -3.783 -0.064 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.292 -3.485 -2.330 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.616 -2.376 -2.677 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.638 -3.945 -1.291 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.909 -5.333 -2.270 1.00 0.00 H +ATOM 1122 N VAL A 66 8.096 0.259 -0.134 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.731 1.372 -0.732 1.00 0.00 C +ATOM 1124 C VAL A 66 10.023 0.891 -1.298 1.00 0.00 C +ATOM 1125 O VAL A 66 10.919 0.469 -0.566 1.00 0.00 O +ATOM 1126 CB VAL A 66 8.966 2.535 0.261 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.696 3.686 -0.416 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.644 3.019 0.817 1.00 0.00 C +ATOM 1129 H VAL A 66 8.300 0.031 0.803 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.108 1.712 -1.545 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.569 2.172 1.080 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 10.661 3.339 -0.756 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 9.827 4.494 0.288 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.118 4.032 -1.259 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.821 3.798 1.543 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.136 2.193 1.294 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 7.027 3.401 0.019 1.00 0.00 H +ATOM 1138 N ILE A 67 10.102 0.882 -2.583 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.281 0.464 -3.233 1.00 0.00 C +ATOM 1140 C ILE A 67 12.110 1.694 -3.445 1.00 0.00 C +ATOM 1141 O ILE A 67 11.909 2.445 -4.415 1.00 0.00 O +ATOM 1142 CB ILE A 67 10.985 -0.213 -4.599 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 9.969 -1.353 -4.425 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.277 -0.750 -5.215 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.549 -2.005 -5.729 1.00 0.00 C +ATOM 1146 H ILE A 67 9.349 1.199 -3.134 1.00 0.00 H +ATOM 1147 HA ILE A 67 11.805 -0.228 -2.591 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.570 0.530 -5.265 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.404 -2.118 -3.799 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.083 -0.965 -3.944 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 12.717 -1.479 -4.552 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 12.973 0.063 -5.358 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 12.061 -1.213 -6.167 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 8.857 -2.809 -5.527 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 10.423 -2.386 -6.236 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 9.072 -1.267 -6.357 1.00 0.00 H +ATOM 1157 N ASP A 68 13.013 1.926 -2.532 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.886 3.085 -2.589 1.00 0.00 C +ATOM 1159 C ASP A 68 14.860 2.961 -3.720 1.00 0.00 C +ATOM 1160 O ASP A 68 15.349 3.959 -4.236 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.627 3.321 -1.269 1.00 0.00 C +ATOM 1162 CG ASP A 68 13.974 4.363 -0.396 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 14.212 5.575 -0.642 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 13.263 4.014 0.571 1.00 0.00 O +ATOM 1165 H ASP A 68 13.096 1.291 -1.784 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.257 3.941 -2.789 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 14.671 2.396 -0.713 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.631 3.649 -1.491 1.00 0.00 H +ATOM 1169 N GLU A 69 15.096 1.725 -4.135 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.017 1.423 -5.216 1.00 0.00 C +ATOM 1171 C GLU A 69 15.513 2.037 -6.528 1.00 0.00 C +ATOM 1172 O GLU A 69 16.282 2.569 -7.318 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.130 -0.094 -5.426 1.00 0.00 C +ATOM 1174 CG GLU A 69 16.255 -0.941 -4.163 1.00 0.00 C +ATOM 1175 CD GLU A 69 17.319 -0.469 -3.213 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 18.511 -0.625 -3.513 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 16.969 0.076 -2.146 1.00 0.00 O +ATOM 1178 H GLU A 69 14.654 0.997 -3.648 1.00 0.00 H +ATOM 1179 HA GLU A 69 16.992 1.817 -4.971 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.244 -0.421 -5.950 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 16.986 -0.289 -6.054 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 15.305 -0.934 -3.652 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 16.481 -1.955 -4.458 1.00 0.00 H +ATOM 1184 N LYS A 70 14.209 1.961 -6.739 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.607 2.433 -7.980 1.00 0.00 C +ATOM 1186 C LYS A 70 12.838 3.724 -7.762 1.00 0.00 C +ATOM 1187 O LYS A 70 12.301 4.300 -8.706 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.690 1.360 -8.586 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.403 0.086 -8.996 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.435 -0.928 -9.588 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.147 -2.209 -10.014 1.00 0.00 C +ATOM 1192 NZ LYS A 70 14.177 -1.962 -11.047 1.00 0.00 N +ATOM 1193 H LYS A 70 13.636 1.599 -6.031 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.411 2.626 -8.673 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 11.962 1.082 -7.840 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.185 1.766 -9.451 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.157 0.323 -9.733 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 13.872 -0.344 -8.124 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 11.686 -1.176 -8.851 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 11.959 -0.490 -10.453 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 13.621 -2.652 -9.150 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 12.414 -2.897 -10.408 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 13.757 -1.537 -11.897 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 14.614 -2.856 -11.350 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 14.942 -1.343 -10.716 1.00 0.00 H +ATOM 1206 N VAL A 71 12.806 4.175 -6.506 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.112 5.407 -6.092 1.00 0.00 C +ATOM 1208 C VAL A 71 10.585 5.251 -6.360 1.00 0.00 C +ATOM 1209 O VAL A 71 9.886 6.181 -6.771 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.721 6.678 -6.820 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 12.186 7.984 -6.236 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.249 6.668 -6.755 1.00 0.00 C +ATOM 1213 H VAL A 71 13.273 3.654 -5.821 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.246 5.499 -5.025 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.427 6.635 -7.858 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 11.116 8.018 -6.364 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.638 8.820 -6.750 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.425 8.033 -5.183 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.621 5.781 -7.246 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.563 6.662 -5.722 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.641 7.546 -7.248 1.00 0.00 H +ATOM 1222 N VAL A 72 10.071 4.079 -6.065 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.679 3.784 -6.311 1.00 0.00 C +ATOM 1224 C VAL A 72 8.057 3.082 -5.105 1.00 0.00 C +ATOM 1225 O VAL A 72 8.685 2.254 -4.451 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.500 2.918 -7.614 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.216 1.591 -7.499 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.027 2.699 -7.959 1.00 0.00 C +ATOM 1229 H VAL A 72 10.629 3.394 -5.635 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.167 4.725 -6.458 1.00 0.00 H +ATOM 1231 HB VAL A 72 8.963 3.461 -8.426 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 9.136 1.053 -8.430 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 8.756 1.015 -6.709 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 10.252 1.775 -7.263 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.949 2.106 -8.858 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.540 3.651 -8.113 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.543 2.180 -7.146 1.00 0.00 H +ATOM 1238 N VAL A 73 6.870 3.465 -4.798 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.088 2.861 -3.781 1.00 0.00 C +ATOM 1240 C VAL A 73 5.192 1.840 -4.470 1.00 0.00 C +ATOM 1241 O VAL A 73 4.350 2.195 -5.308 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.244 3.935 -3.051 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.342 3.316 -2.012 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.148 4.980 -2.408 1.00 0.00 C +ATOM 1245 H VAL A 73 6.459 4.199 -5.301 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.743 2.365 -3.080 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.636 4.434 -3.789 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 3.769 4.091 -1.523 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 4.939 2.798 -1.275 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.669 2.618 -2.486 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 5.550 5.705 -1.874 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 6.711 5.482 -3.181 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 6.833 4.500 -1.726 1.00 0.00 H +ATOM 1254 N PHE A 74 5.399 0.597 -4.158 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.727 -0.484 -4.828 1.00 0.00 C +ATOM 1256 C PHE A 74 3.726 -1.141 -3.896 1.00 0.00 C +ATOM 1257 O PHE A 74 4.107 -1.761 -2.899 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.785 -1.486 -5.312 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.267 -2.646 -6.110 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.848 -2.468 -7.413 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 5.234 -3.921 -5.563 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.401 -3.535 -8.160 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.784 -4.992 -6.304 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.370 -4.799 -7.607 1.00 0.00 C +ATOM 1265 H PHE A 74 6.022 0.373 -3.430 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.214 -0.084 -5.689 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.498 -0.965 -5.933 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.302 -1.879 -4.450 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 4.870 -1.480 -7.849 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.556 -4.071 -4.544 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.075 -3.380 -9.177 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.761 -5.980 -5.868 1.00 0.00 H +ATOM 1273 HZ PHE A 74 4.020 -5.635 -8.194 1.00 0.00 H +ATOM 1274 N VAL A 75 2.457 -0.976 -4.201 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.387 -1.550 -3.403 1.00 0.00 C +ATOM 1276 C VAL A 75 1.309 -3.041 -3.667 1.00 0.00 C +ATOM 1277 O VAL A 75 1.136 -3.465 -4.809 1.00 0.00 O +ATOM 1278 CB VAL A 75 0.015 -0.876 -3.696 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.093 -1.471 -2.825 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.105 0.632 -3.485 1.00 0.00 C +ATOM 1281 H VAL A 75 2.240 -0.462 -5.014 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.639 -1.407 -2.363 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.239 -1.060 -4.729 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -2.034 -0.985 -3.041 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -0.851 -1.334 -1.781 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -1.182 -2.527 -3.029 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.844 1.042 -4.156 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 0.393 0.841 -2.466 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 -0.856 1.084 -3.688 1.00 0.00 H +ATOM 1290 N ILE A 76 1.449 -3.820 -2.619 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.485 -5.265 -2.743 1.00 0.00 C +ATOM 1292 C ILE A 76 0.092 -5.842 -2.530 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.343 -6.737 -3.255 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.446 -5.882 -1.692 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.817 -5.195 -1.749 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.600 -7.389 -1.929 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.766 -5.626 -0.652 1.00 0.00 C +ATOM 1298 H ILE A 76 1.519 -3.413 -1.728 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.841 -5.521 -3.731 1.00 0.00 H +ATOM 1300 HB ILE A 76 2.019 -5.734 -0.711 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.286 -5.420 -2.696 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.679 -4.126 -1.672 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 3.282 -7.795 -1.197 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 2.992 -7.563 -2.920 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 1.639 -7.872 -1.832 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 4.908 -6.696 -0.701 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.351 -5.356 0.309 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 5.717 -5.132 -0.787 1.00 0.00 H +ATOM 1309 N SER A 77 -0.609 -5.314 -1.545 1.00 0.00 N +ATOM 1310 CA SER A 77 -1.923 -5.784 -1.224 1.00 0.00 C +ATOM 1311 C SER A 77 -2.694 -4.661 -0.552 1.00 0.00 C +ATOM 1312 O SER A 77 -2.099 -3.750 0.047 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.837 -7.025 -0.304 1.00 0.00 C +ATOM 1314 OG SER A 77 -3.115 -7.620 -0.099 1.00 0.00 O +ATOM 1315 H SER A 77 -0.257 -4.569 -1.009 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.417 -6.057 -2.144 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.184 -7.757 -0.757 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -1.431 -6.730 0.652 1.00 0.00 H +ATOM 1319 HG SER A 77 -3.341 -8.040 -0.939 1.00 0.00 H +ATOM 1320 N VAL A 78 -3.986 -4.708 -0.665 1.00 0.00 N +ATOM 1321 CA VAL A 78 -4.857 -3.720 -0.101 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.163 -4.401 0.266 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.560 -5.362 -0.402 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.099 -2.543 -1.117 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.714 -3.033 -2.422 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -5.951 -1.443 -0.510 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.408 -5.460 -1.134 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.391 -3.332 0.792 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.133 -2.127 -1.362 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -5.047 -3.744 -2.887 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.866 -2.196 -3.088 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -6.661 -3.510 -2.219 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -6.080 -0.654 -1.236 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -5.456 -1.050 0.365 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.916 -1.840 -0.231 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.776 -3.993 1.350 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.053 -4.536 1.684 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.278 -4.598 3.160 1.00 0.00 C +ATOM 1339 O GLY A 79 -7.919 -3.681 3.891 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.354 -3.352 1.971 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.825 -3.929 1.235 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.113 -5.535 1.280 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.867 -5.652 3.601 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.143 -5.837 4.988 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.222 -6.881 5.554 1.00 0.00 C +ATOM 1346 O LYS A 80 -8.481 -8.077 5.473 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.608 -6.189 5.209 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.559 -5.054 4.850 1.00 0.00 C +ATOM 1349 CD LYS A 80 -13.020 -5.448 4.999 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.429 -6.525 4.004 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -13.323 -6.074 2.597 1.00 0.00 N +ATOM 1352 H LYS A 80 -9.120 -6.358 2.968 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.931 -4.900 5.481 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.840 -7.040 4.587 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.758 -6.458 6.242 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.357 -4.216 5.501 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.373 -4.759 3.827 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -13.178 -5.828 5.997 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.637 -4.575 4.847 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -12.779 -7.374 4.143 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -14.448 -6.808 4.214 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -13.617 -6.820 1.935 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -12.342 -5.843 2.353 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -13.918 -5.236 2.415 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.116 -6.414 6.048 1.00 0.00 N +ATOM 1366 CA ALA A 81 -6.110 -7.251 6.619 1.00 0.00 C +ATOM 1367 C ALA A 81 -6.349 -7.380 8.091 1.00 0.00 C +ATOM 1368 O ALA A 81 -6.232 -6.388 8.812 1.00 0.00 O +ATOM 1369 CB ALA A 81 -4.765 -6.619 6.400 1.00 0.00 C +ATOM 1370 H ALA A 81 -6.980 -5.446 6.037 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.113 -8.216 6.132 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -4.594 -6.493 5.342 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -4.002 -7.252 6.824 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -4.742 -5.653 6.884 1.00 0.00 H +ATOM 1375 N GLU A 82 -6.679 -8.566 8.548 1.00 0.00 N +ATOM 1376 CA GLU A 82 -6.921 -8.769 9.962 1.00 0.00 C +ATOM 1377 C GLU A 82 -5.607 -8.608 10.748 1.00 0.00 C +ATOM 1378 O GLU A 82 -5.545 -7.853 11.732 1.00 0.00 O +ATOM 1379 CB GLU A 82 -7.630 -10.130 10.252 1.00 0.00 C +ATOM 1380 CG GLU A 82 -6.794 -11.405 10.078 1.00 0.00 C +ATOM 1381 CD GLU A 82 -6.225 -11.598 8.693 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -5.103 -11.109 8.436 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -6.862 -12.255 7.857 1.00 0.00 O +ATOM 1384 H GLU A 82 -6.768 -9.320 7.926 1.00 0.00 H +ATOM 1385 HA GLU A 82 -7.563 -7.962 10.278 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -7.983 -10.114 11.273 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -8.492 -10.200 9.604 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -5.967 -11.341 10.770 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -7.407 -12.256 10.334 1.00 0.00 H +ATOM 1390 N ALA A 83 -4.555 -9.265 10.257 1.00 0.00 N +ATOM 1391 CA ALA A 83 -3.237 -9.216 10.847 1.00 0.00 C +ATOM 1392 C ALA A 83 -2.207 -9.909 9.955 1.00 0.00 C +ATOM 1393 O ALA A 83 -1.191 -9.326 9.604 1.00 0.00 O +ATOM 1394 CB ALA A 83 -3.235 -9.874 12.220 1.00 0.00 C +ATOM 1395 H ALA A 83 -4.703 -9.829 9.459 1.00 0.00 H +ATOM 1396 HA ALA A 83 -2.963 -8.178 10.971 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -2.257 -9.763 12.660 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -3.468 -10.923 12.115 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -3.973 -9.399 12.850 1.00 0.00 H +ATOM 1400 N SER A 84 -2.491 -11.125 9.549 1.00 0.00 N +ATOM 1401 CA SER A 84 -1.495 -11.937 8.868 1.00 0.00 C +ATOM 1402 C SER A 84 -1.733 -12.046 7.350 1.00 0.00 C +ATOM 1403 O SER A 84 -0.816 -12.424 6.606 1.00 0.00 O +ATOM 1404 CB SER A 84 -1.459 -13.333 9.501 1.00 0.00 C +ATOM 1405 OG SER A 84 -1.267 -13.253 10.921 1.00 0.00 O +ATOM 1406 H SER A 84 -3.394 -11.489 9.683 1.00 0.00 H +ATOM 1407 HA SER A 84 -0.533 -11.477 9.034 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -2.396 -13.832 9.305 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -0.653 -13.908 9.071 1.00 0.00 H +ATOM 1410 HG SER A 84 -2.116 -13.513 11.303 1.00 0.00 H +ATOM 1411 N GLU A 85 -2.931 -11.681 6.888 1.00 0.00 N +ATOM 1412 CA GLU A 85 -3.315 -11.856 5.475 1.00 0.00 C +ATOM 1413 C GLU A 85 -2.347 -11.127 4.526 1.00 0.00 C +ATOM 1414 O GLU A 85 -1.751 -11.736 3.637 1.00 0.00 O +ATOM 1415 CB GLU A 85 -4.727 -11.298 5.259 1.00 0.00 C +ATOM 1416 CG GLU A 85 -5.349 -11.651 3.921 1.00 0.00 C +ATOM 1417 CD GLU A 85 -5.790 -13.093 3.850 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -4.944 -14.004 3.791 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -7.009 -13.348 3.858 1.00 0.00 O +ATOM 1420 H GLU A 85 -3.612 -11.325 7.508 1.00 0.00 H +ATOM 1421 HA GLU A 85 -3.324 -12.911 5.247 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -5.369 -11.678 6.039 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -4.683 -10.221 5.340 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -6.209 -11.021 3.757 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -4.620 -11.476 3.145 1.00 0.00 H +ATOM 1426 N VAL A 86 -2.129 -9.851 4.780 1.00 0.00 N +ATOM 1427 CA VAL A 86 -1.286 -9.041 3.903 1.00 0.00 C +ATOM 1428 C VAL A 86 0.189 -9.332 4.088 1.00 0.00 C +ATOM 1429 O VAL A 86 0.967 -9.228 3.145 1.00 0.00 O +ATOM 1430 CB VAL A 86 -1.562 -7.534 4.043 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -2.940 -7.198 3.500 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -1.421 -7.093 5.499 1.00 0.00 C +ATOM 1433 H VAL A 86 -2.557 -9.458 5.567 1.00 0.00 H +ATOM 1434 HA VAL A 86 -1.541 -9.335 2.895 1.00 0.00 H +ATOM 1435 HB VAL A 86 -0.840 -6.993 3.449 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -3.683 -7.780 4.025 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -2.983 -7.429 2.447 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -3.137 -6.147 3.646 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -1.678 -6.049 5.592 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -0.399 -7.240 5.819 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -2.078 -7.684 6.118 1.00 0.00 H +ATOM 1442 N TYR A 87 0.566 -9.716 5.298 1.00 0.00 N +ATOM 1443 CA TYR A 87 1.943 -10.079 5.575 1.00 0.00 C +ATOM 1444 C TYR A 87 2.331 -11.297 4.775 1.00 0.00 C +ATOM 1445 O TYR A 87 3.397 -11.335 4.183 1.00 0.00 O +ATOM 1446 CB TYR A 87 2.179 -10.323 7.070 1.00 0.00 C +ATOM 1447 CG TYR A 87 2.455 -9.076 7.890 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 1.455 -8.162 8.195 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 3.733 -8.826 8.369 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 1.729 -7.035 8.955 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 4.015 -7.711 9.130 1.00 0.00 C +ATOM 1452 CZ TYR A 87 3.014 -6.819 9.421 1.00 0.00 C +ATOM 1453 OH TYR A 87 3.294 -5.707 10.195 1.00 0.00 O +ATOM 1454 H TYR A 87 -0.101 -9.767 6.012 1.00 0.00 H +ATOM 1455 HA TYR A 87 2.562 -9.255 5.253 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 1.304 -10.797 7.488 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 3.022 -10.988 7.182 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 0.454 -8.337 7.830 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 4.523 -9.527 8.141 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 0.942 -6.332 9.183 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 5.019 -7.542 9.489 1.00 0.00 H +ATOM 1462 HH TYR A 87 2.570 -5.660 10.835 1.00 0.00 H +ATOM 1463 N SER A 88 1.432 -12.252 4.708 1.00 0.00 N +ATOM 1464 CA SER A 88 1.670 -13.476 3.985 1.00 0.00 C +ATOM 1465 C SER A 88 1.758 -13.230 2.482 1.00 0.00 C +ATOM 1466 O SER A 88 2.671 -13.742 1.820 1.00 0.00 O +ATOM 1467 CB SER A 88 0.596 -14.479 4.335 1.00 0.00 C +ATOM 1468 OG SER A 88 0.569 -14.671 5.750 1.00 0.00 O +ATOM 1469 H SER A 88 0.571 -12.138 5.166 1.00 0.00 H +ATOM 1470 HA SER A 88 2.623 -13.864 4.308 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -0.361 -14.099 4.008 1.00 0.00 H +ATOM 1472 HB3 SER A 88 0.806 -15.423 3.855 1.00 0.00 H +ATOM 1473 HG SER A 88 0.010 -13.978 6.135 1.00 0.00 H +ATOM 1474 N GLU A 89 0.853 -12.401 1.965 1.00 0.00 N +ATOM 1475 CA GLU A 89 0.858 -12.044 0.546 1.00 0.00 C +ATOM 1476 C GLU A 89 2.152 -11.349 0.171 1.00 0.00 C +ATOM 1477 O GLU A 89 2.693 -11.563 -0.903 1.00 0.00 O +ATOM 1478 CB GLU A 89 -0.318 -11.125 0.205 1.00 0.00 C +ATOM 1479 CG GLU A 89 -1.677 -11.789 0.245 1.00 0.00 C +ATOM 1480 CD GLU A 89 -1.830 -12.857 -0.807 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -2.021 -12.524 -2.002 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -1.824 -14.047 -0.471 1.00 0.00 O +ATOM 1483 H GLU A 89 0.151 -12.032 2.544 1.00 0.00 H +ATOM 1484 HA GLU A 89 0.772 -12.952 -0.030 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -0.327 -10.303 0.905 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -0.165 -10.728 -0.788 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -1.814 -12.243 1.217 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -2.438 -11.038 0.089 1.00 0.00 H +ATOM 1489 N ALA A 90 2.650 -10.541 1.063 1.00 0.00 N +ATOM 1490 CA ALA A 90 3.848 -9.802 0.806 1.00 0.00 C +ATOM 1491 C ALA A 90 5.112 -10.649 0.998 1.00 0.00 C +ATOM 1492 O ALA A 90 5.890 -10.816 0.067 1.00 0.00 O +ATOM 1493 CB ALA A 90 3.888 -8.549 1.658 1.00 0.00 C +ATOM 1494 H ALA A 90 2.184 -10.429 1.921 1.00 0.00 H +ATOM 1495 HA ALA A 90 3.812 -9.495 -0.228 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 2.990 -7.972 1.492 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 4.752 -7.957 1.393 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 3.946 -8.827 2.699 1.00 0.00 H +ATOM 1499 N VAL A 91 5.277 -11.242 2.170 1.00 0.00 N +ATOM 1500 CA VAL A 91 6.536 -11.921 2.511 1.00 0.00 C +ATOM 1501 C VAL A 91 6.809 -13.148 1.630 1.00 0.00 C +ATOM 1502 O VAL A 91 7.954 -13.443 1.315 1.00 0.00 O +ATOM 1503 CB VAL A 91 6.643 -12.290 4.032 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 5.724 -13.438 4.426 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 8.088 -12.570 4.441 1.00 0.00 C +ATOM 1506 H VAL A 91 4.538 -11.234 2.821 1.00 0.00 H +ATOM 1507 HA VAL A 91 7.318 -11.210 2.284 1.00 0.00 H +ATOM 1508 HB VAL A 91 6.306 -11.425 4.584 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 5.970 -14.313 3.842 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 4.698 -13.157 4.238 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 5.855 -13.658 5.475 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 8.684 -11.684 4.278 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 8.479 -13.377 3.841 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 8.124 -12.844 5.485 1.00 0.00 H +ATOM 1515 N LYS A 92 5.766 -13.843 1.210 1.00 0.00 N +ATOM 1516 CA LYS A 92 5.963 -15.021 0.382 1.00 0.00 C +ATOM 1517 C LYS A 92 6.284 -14.624 -1.051 1.00 0.00 C +ATOM 1518 O LYS A 92 7.020 -15.321 -1.766 1.00 0.00 O +ATOM 1519 CB LYS A 92 4.745 -15.943 0.424 1.00 0.00 C +ATOM 1520 CG LYS A 92 4.413 -16.508 1.809 1.00 0.00 C +ATOM 1521 CD LYS A 92 5.570 -17.318 2.379 1.00 0.00 C +ATOM 1522 CE LYS A 92 5.209 -17.969 3.707 1.00 0.00 C +ATOM 1523 NZ LYS A 92 4.865 -16.985 4.756 1.00 0.00 N +ATOM 1524 H LYS A 92 4.859 -13.560 1.457 1.00 0.00 H +ATOM 1525 HA LYS A 92 6.818 -15.553 0.771 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 3.885 -15.390 0.074 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 4.922 -16.771 -0.244 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 4.201 -15.689 2.480 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 3.543 -17.142 1.731 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 5.848 -18.087 1.674 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 6.407 -16.655 2.533 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 4.354 -18.607 3.550 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 6.046 -18.566 4.039 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 5.650 -16.342 4.972 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 4.623 -17.489 5.632 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 4.012 -16.433 4.534 1.00 0.00 H +ATOM 1537 N ARG A 93 5.781 -13.486 -1.456 1.00 0.00 N +ATOM 1538 CA ARG A 93 5.963 -13.029 -2.808 1.00 0.00 C +ATOM 1539 C ARG A 93 7.240 -12.245 -2.994 1.00 0.00 C +ATOM 1540 O ARG A 93 7.850 -12.311 -4.062 1.00 0.00 O +ATOM 1541 CB ARG A 93 4.770 -12.247 -3.292 1.00 0.00 C +ATOM 1542 CG ARG A 93 3.525 -13.089 -3.475 1.00 0.00 C +ATOM 1543 CD ARG A 93 2.429 -12.257 -4.081 1.00 0.00 C +ATOM 1544 NE ARG A 93 2.855 -11.691 -5.362 1.00 0.00 N +ATOM 1545 CZ ARG A 93 2.350 -10.600 -5.921 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 1.375 -9.932 -5.322 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 2.841 -10.161 -7.058 1.00 0.00 N +ATOM 1548 H ARG A 93 5.285 -12.927 -0.819 1.00 0.00 H +ATOM 1549 HA ARG A 93 6.043 -13.917 -3.417 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 4.550 -11.472 -2.571 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 5.006 -11.781 -4.237 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 3.750 -13.921 -4.125 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 3.201 -13.454 -2.511 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 1.563 -12.883 -4.240 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 2.180 -11.451 -3.407 1.00 0.00 H +ATOM 1556 HE ARG A 93 3.583 -12.177 -5.811 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 0.988 -10.193 -4.439 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 0.954 -9.136 -5.794 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 3.592 -10.609 -7.549 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 2.478 -9.317 -7.489 1.00 0.00 H +ATOM 1561 N ILE A 94 7.635 -11.489 -1.993 1.00 0.00 N +ATOM 1562 CA ILE A 94 8.886 -10.761 -2.058 1.00 0.00 C +ATOM 1563 C ILE A 94 10.037 -11.722 -1.832 1.00 0.00 C +ATOM 1564 O ILE A 94 10.174 -12.336 -0.762 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.952 -9.503 -1.095 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 8.188 -8.289 -1.684 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 10.395 -9.095 -0.784 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 6.704 -8.481 -1.896 1.00 0.00 C +ATOM 1569 H ILE A 94 7.081 -11.416 -1.183 1.00 0.00 H +ATOM 1570 HA ILE A 94 8.966 -10.425 -3.082 1.00 0.00 H +ATOM 1571 HB ILE A 94 8.483 -9.783 -0.163 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 8.307 -7.447 -1.018 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 8.634 -8.034 -2.636 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 10.905 -8.852 -1.705 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 10.903 -9.916 -0.301 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 10.392 -8.234 -0.131 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 6.235 -8.686 -0.944 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 6.542 -9.309 -2.568 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 6.283 -7.581 -2.319 1.00 0.00 H +ATOM 1580 N LEU A 95 10.811 -11.892 -2.853 1.00 0.00 N +ATOM 1581 CA LEU A 95 11.900 -12.794 -2.839 1.00 0.00 C +ATOM 1582 C LEU A 95 13.128 -12.012 -3.228 1.00 0.00 C +ATOM 1583 O LEU A 95 13.900 -11.625 -2.348 1.00 0.00 O +ATOM 1584 CB LEU A 95 11.633 -13.929 -3.835 1.00 0.00 C +ATOM 1585 CG LEU A 95 12.598 -15.104 -3.798 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 12.508 -15.811 -2.456 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 12.297 -16.070 -4.933 1.00 0.00 C +ATOM 1588 OXT LEU A 95 13.260 -11.671 -4.415 1.00 0.00 O +ATOM 1589 H LEU A 95 10.672 -11.372 -3.672 1.00 0.00 H +ATOM 1590 HA LEU A 95 12.012 -13.199 -1.844 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 10.639 -14.309 -3.649 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 11.653 -13.508 -4.829 1.00 0.00 H +ATOM 1593 HG LEU A 95 13.608 -14.741 -3.917 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 12.791 -15.131 -1.666 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 13.166 -16.665 -2.449 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 11.494 -16.144 -2.296 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 12.391 -15.559 -5.879 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 11.291 -16.447 -4.829 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 12.993 -16.895 -4.899 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 15 +ATOM 1 N MET A 1 11.630 14.458 -1.201 1.00 0.00 N +ATOM 2 CA MET A 1 11.381 14.016 -2.579 1.00 0.00 C +ATOM 3 C MET A 1 10.097 13.229 -2.618 1.00 0.00 C +ATOM 4 O MET A 1 9.775 12.536 -1.658 1.00 0.00 O +ATOM 5 CB MET A 1 12.540 13.136 -3.084 1.00 0.00 C +ATOM 6 CG MET A 1 12.388 12.636 -4.522 1.00 0.00 C +ATOM 7 SD MET A 1 13.757 11.584 -5.065 1.00 0.00 S +ATOM 8 CE MET A 1 13.628 10.223 -3.907 1.00 0.00 C +ATOM 9 H MET A 1 11.691 13.640 -0.565 1.00 0.00 H +ATOM 10 HA MET A 1 11.288 14.890 -3.207 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.455 13.704 -3.028 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.613 12.277 -2.434 1.00 0.00 H +ATOM 13 HG2 MET A 1 11.472 12.069 -4.596 1.00 0.00 H +ATOM 14 HG3 MET A 1 12.332 13.491 -5.179 1.00 0.00 H +ATOM 15 HE1 MET A 1 13.805 10.577 -2.903 1.00 0.00 H +ATOM 16 HE2 MET A 1 14.353 9.463 -4.158 1.00 0.00 H +ATOM 17 HE3 MET A 1 12.635 9.803 -3.966 1.00 0.00 H +ATOM 18 N ALA A 2 9.368 13.343 -3.705 1.00 0.00 N +ATOM 19 CA ALA A 2 8.139 12.611 -3.882 1.00 0.00 C +ATOM 20 C ALA A 2 8.409 11.385 -4.724 1.00 0.00 C +ATOM 21 O ALA A 2 9.031 11.471 -5.785 1.00 0.00 O +ATOM 22 CB ALA A 2 7.068 13.480 -4.529 1.00 0.00 C +ATOM 23 H ALA A 2 9.682 13.920 -4.435 1.00 0.00 H +ATOM 24 HA ALA A 2 7.794 12.293 -2.909 1.00 0.00 H +ATOM 25 HB1 ALA A 2 6.884 14.350 -3.914 1.00 0.00 H +ATOM 26 HB2 ALA A 2 6.157 12.906 -4.625 1.00 0.00 H +ATOM 27 HB3 ALA A 2 7.400 13.791 -5.508 1.00 0.00 H +ATOM 28 N TYR A 3 7.977 10.266 -4.245 1.00 0.00 N +ATOM 29 CA TYR A 3 8.186 9.000 -4.912 1.00 0.00 C +ATOM 30 C TYR A 3 7.011 8.699 -5.845 1.00 0.00 C +ATOM 31 O TYR A 3 6.023 9.443 -5.875 1.00 0.00 O +ATOM 32 CB TYR A 3 8.365 7.874 -3.867 1.00 0.00 C +ATOM 33 CG TYR A 3 9.607 8.010 -2.971 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.771 9.104 -2.126 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.596 7.031 -2.958 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.867 9.224 -1.303 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.706 7.148 -2.131 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.832 8.251 -1.307 1.00 0.00 C +ATOM 39 OH TYR A 3 12.925 8.376 -0.473 1.00 0.00 O +ATOM 40 H TYR A 3 7.485 10.290 -3.394 1.00 0.00 H +ATOM 41 HA TYR A 3 9.089 9.078 -5.500 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.500 7.855 -3.220 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.431 6.929 -4.386 1.00 0.00 H +ATOM 44 HD1 TYR A 3 9.015 9.875 -2.120 1.00 0.00 H +ATOM 45 HD2 TYR A 3 10.491 6.172 -3.604 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.966 10.084 -0.659 1.00 0.00 H +ATOM 47 HE2 TYR A 3 12.466 6.381 -2.135 1.00 0.00 H +ATOM 48 HH TYR A 3 13.714 8.093 -0.944 1.00 0.00 H +ATOM 49 N PHE A 4 7.130 7.648 -6.613 1.00 0.00 N +ATOM 50 CA PHE A 4 6.079 7.221 -7.526 1.00 0.00 C +ATOM 51 C PHE A 4 5.244 6.137 -6.872 1.00 0.00 C +ATOM 52 O PHE A 4 5.667 5.563 -5.896 1.00 0.00 O +ATOM 53 CB PHE A 4 6.693 6.730 -8.842 1.00 0.00 C +ATOM 54 CG PHE A 4 7.380 7.826 -9.604 1.00 0.00 C +ATOM 55 CD1 PHE A 4 6.651 8.676 -10.419 1.00 0.00 C +ATOM 56 CD2 PHE A 4 8.748 8.020 -9.493 1.00 0.00 C +ATOM 57 CE1 PHE A 4 7.271 9.697 -11.108 1.00 0.00 C +ATOM 58 CE2 PHE A 4 9.374 9.037 -10.180 1.00 0.00 C +ATOM 59 CZ PHE A 4 8.633 9.879 -10.987 1.00 0.00 C +ATOM 60 H PHE A 4 7.961 7.122 -6.571 1.00 0.00 H +ATOM 61 HA PHE A 4 5.449 8.076 -7.724 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.439 5.985 -8.603 1.00 0.00 H +ATOM 63 HB3 PHE A 4 5.942 6.280 -9.473 1.00 0.00 H +ATOM 64 HD1 PHE A 4 5.585 8.535 -10.514 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.326 7.362 -8.861 1.00 0.00 H +ATOM 66 HE1 PHE A 4 6.692 10.353 -11.741 1.00 0.00 H +ATOM 67 HE2 PHE A 4 10.440 9.179 -10.085 1.00 0.00 H +ATOM 68 HZ PHE A 4 9.117 10.681 -11.525 1.00 0.00 H +ATOM 69 N LEU A 5 4.065 5.877 -7.381 1.00 0.00 N +ATOM 70 CA LEU A 5 3.190 4.876 -6.787 1.00 0.00 C +ATOM 71 C LEU A 5 2.769 3.881 -7.874 1.00 0.00 C +ATOM 72 O LEU A 5 2.471 4.293 -9.000 1.00 0.00 O +ATOM 73 CB LEU A 5 1.948 5.597 -6.172 1.00 0.00 C +ATOM 74 CG LEU A 5 1.073 4.843 -5.123 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.372 3.629 -5.687 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.888 4.459 -3.908 1.00 0.00 C +ATOM 77 H LEU A 5 3.754 6.333 -8.191 1.00 0.00 H +ATOM 78 HA LEU A 5 3.730 4.361 -6.008 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.299 6.504 -5.707 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.309 5.882 -6.995 1.00 0.00 H +ATOM 81 HG LEU A 5 0.299 5.520 -4.794 1.00 0.00 H +ATOM 82 HD11 LEU A 5 1.108 2.967 -6.119 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.347 3.927 -6.435 1.00 0.00 H +ATOM 84 HD13 LEU A 5 -0.125 3.114 -4.878 1.00 0.00 H +ATOM 85 HD21 LEU A 5 1.259 3.918 -3.217 1.00 0.00 H +ATOM 86 HD22 LEU A 5 2.268 5.346 -3.424 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.709 3.826 -4.210 1.00 0.00 H +ATOM 88 N ASP A 6 2.782 2.596 -7.559 1.00 0.00 N +ATOM 89 CA ASP A 6 2.278 1.567 -8.471 1.00 0.00 C +ATOM 90 C ASP A 6 1.540 0.501 -7.679 1.00 0.00 C +ATOM 91 O ASP A 6 1.813 0.300 -6.487 1.00 0.00 O +ATOM 92 CB ASP A 6 3.396 0.930 -9.306 1.00 0.00 C +ATOM 93 CG ASP A 6 2.881 -0.095 -10.316 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.146 0.285 -11.270 1.00 0.00 O +ATOM 95 OD2 ASP A 6 3.207 -1.278 -10.190 1.00 0.00 O +ATOM 96 H ASP A 6 3.136 2.310 -6.685 1.00 0.00 H +ATOM 97 HA ASP A 6 1.572 2.056 -9.124 1.00 0.00 H +ATOM 98 HB2 ASP A 6 3.969 1.684 -9.824 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.024 0.403 -8.608 1.00 0.00 H +ATOM 100 N PHE A 7 0.622 -0.166 -8.320 1.00 0.00 N +ATOM 101 CA PHE A 7 -0.194 -1.175 -7.676 1.00 0.00 C +ATOM 102 C PHE A 7 0.110 -2.544 -8.245 1.00 0.00 C +ATOM 103 O PHE A 7 0.091 -2.737 -9.476 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.685 -0.894 -7.877 1.00 0.00 C +ATOM 105 CG PHE A 7 -2.177 0.416 -7.344 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -2.571 0.540 -6.029 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.266 1.520 -8.174 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -3.041 1.741 -5.546 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.733 2.726 -7.698 1.00 0.00 C +ATOM 110 CZ PHE A 7 -3.123 2.837 -6.383 1.00 0.00 C +ATOM 111 H PHE A 7 0.527 0.009 -9.278 1.00 0.00 H +ATOM 112 HA PHE A 7 0.020 -1.166 -6.618 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.898 -0.910 -8.935 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -2.252 -1.683 -7.403 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -2.505 -0.317 -5.374 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -1.957 1.426 -9.203 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -3.347 1.828 -4.514 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -2.795 3.582 -8.356 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.492 3.780 -6.004 1.00 0.00 H +ATOM 120 N ASP A 8 0.379 -3.471 -7.365 1.00 0.00 N +ATOM 121 CA ASP A 8 0.623 -4.863 -7.714 1.00 0.00 C +ATOM 122 C ASP A 8 -0.637 -5.527 -8.243 1.00 0.00 C +ATOM 123 O ASP A 8 -1.741 -5.079 -7.952 1.00 0.00 O +ATOM 124 CB ASP A 8 1.139 -5.654 -6.514 1.00 0.00 C +ATOM 125 CG ASP A 8 1.331 -7.100 -6.855 1.00 0.00 C +ATOM 126 OD1 ASP A 8 2.133 -7.397 -7.751 1.00 0.00 O +ATOM 127 OD2 ASP A 8 0.648 -7.964 -6.284 1.00 0.00 O +ATOM 128 H ASP A 8 0.431 -3.235 -6.412 1.00 0.00 H +ATOM 129 HA ASP A 8 1.377 -4.882 -8.488 1.00 0.00 H +ATOM 130 HB2 ASP A 8 2.086 -5.245 -6.194 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.427 -5.581 -5.705 1.00 0.00 H +ATOM 132 N GLU A 9 -0.458 -6.583 -9.015 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.534 -7.372 -9.574 1.00 0.00 C +ATOM 134 C GLU A 9 -2.522 -7.838 -8.475 1.00 0.00 C +ATOM 135 O GLU A 9 -3.735 -7.805 -8.685 1.00 0.00 O +ATOM 136 CB GLU A 9 -0.939 -8.588 -10.302 1.00 0.00 C +ATOM 137 CG GLU A 9 0.032 -9.394 -9.444 1.00 0.00 C +ATOM 138 CD GLU A 9 0.545 -10.632 -10.110 1.00 0.00 C +ATOM 139 OE1 GLU A 9 1.544 -10.560 -10.869 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -0.007 -11.711 -9.855 1.00 0.00 O +ATOM 141 H GLU A 9 0.471 -6.860 -9.180 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.064 -6.767 -10.293 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -1.745 -9.241 -10.602 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.411 -8.248 -11.181 1.00 0.00 H +ATOM 145 HG2 GLU A 9 0.879 -8.771 -9.200 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -0.476 -9.673 -8.532 1.00 0.00 H +ATOM 147 N ARG A 10 -2.010 -8.215 -7.286 1.00 0.00 N +ATOM 148 CA ARG A 10 -2.885 -8.642 -6.200 1.00 0.00 C +ATOM 149 C ARG A 10 -3.617 -7.456 -5.628 1.00 0.00 C +ATOM 150 O ARG A 10 -4.825 -7.511 -5.371 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.130 -9.366 -5.086 1.00 0.00 C +ATOM 152 CG ARG A 10 -1.455 -10.648 -5.520 1.00 0.00 C +ATOM 153 CD ARG A 10 -0.846 -11.366 -4.333 1.00 0.00 C +ATOM 154 NE ARG A 10 -0.145 -12.584 -4.741 1.00 0.00 N +ATOM 155 CZ ARG A 10 -0.022 -13.687 -4.001 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -0.725 -13.834 -2.883 1.00 0.00 N +ATOM 157 NH2 ARG A 10 0.734 -14.682 -4.432 1.00 0.00 N +ATOM 158 H ARG A 10 -1.034 -8.193 -7.132 1.00 0.00 H +ATOM 159 HA ARG A 10 -3.606 -9.316 -6.634 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.369 -8.704 -4.701 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -2.826 -9.599 -4.293 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -2.187 -11.295 -5.981 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -0.677 -10.416 -6.232 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -0.144 -10.705 -3.847 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -1.634 -11.630 -3.641 1.00 0.00 H +ATOM 166 HE ARG A 10 0.277 -12.526 -5.628 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -1.385 -13.141 -2.552 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -0.654 -14.642 -2.292 1.00 0.00 H +ATOM 169 HH21 ARG A 10 1.224 -14.649 -5.309 1.00 0.00 H +ATOM 170 HH22 ARG A 10 0.850 -15.527 -3.903 1.00 0.00 H +ATOM 171 N ALA A 11 -2.887 -6.371 -5.472 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.433 -5.138 -4.950 1.00 0.00 C +ATOM 173 C ALA A 11 -4.514 -4.604 -5.870 1.00 0.00 C +ATOM 174 O ALA A 11 -5.501 -4.075 -5.414 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.339 -4.102 -4.766 1.00 0.00 C +ATOM 176 H ALA A 11 -1.938 -6.414 -5.719 1.00 0.00 H +ATOM 177 HA ALA A 11 -3.869 -5.351 -3.985 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.579 -4.492 -4.104 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -2.761 -3.203 -4.342 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -1.896 -3.874 -5.723 1.00 0.00 H +ATOM 181 N LEU A 12 -4.335 -4.795 -7.165 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.282 -4.331 -8.155 1.00 0.00 C +ATOM 183 C LEU A 12 -6.586 -5.061 -8.062 1.00 0.00 C +ATOM 184 O LEU A 12 -7.645 -4.456 -8.225 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.718 -4.447 -9.561 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.690 -3.396 -9.969 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.125 -3.730 -11.325 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.335 -2.016 -10.007 1.00 0.00 C +ATOM 189 H LEU A 12 -3.530 -5.270 -7.473 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.470 -3.289 -7.950 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.254 -5.419 -9.646 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.544 -4.411 -10.253 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.883 -3.374 -9.251 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -2.405 -2.978 -11.612 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -3.926 -3.759 -12.050 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -2.642 -4.694 -11.284 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -5.166 -2.033 -10.699 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -3.608 -1.293 -10.345 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.686 -1.738 -9.025 1.00 0.00 H +ATOM 200 N LYS A 13 -6.522 -6.348 -7.781 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.725 -7.145 -7.665 1.00 0.00 C +ATOM 202 C LYS A 13 -8.566 -6.613 -6.520 1.00 0.00 C +ATOM 203 O LYS A 13 -9.756 -6.333 -6.688 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.351 -8.582 -7.334 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.493 -9.284 -8.355 1.00 0.00 C +ATOM 206 CD LYS A 13 -5.882 -10.525 -7.738 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.031 -11.306 -8.726 1.00 0.00 C +ATOM 208 NZ LYS A 13 -5.836 -11.968 -9.771 1.00 0.00 N +ATOM 209 H LYS A 13 -5.641 -6.760 -7.649 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.271 -7.123 -8.597 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -6.821 -8.594 -6.394 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.264 -9.146 -7.218 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.102 -9.562 -9.201 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -5.702 -8.622 -8.671 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.264 -10.201 -6.915 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -6.674 -11.156 -7.360 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -4.344 -10.622 -9.201 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -4.470 -12.053 -8.183 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -6.453 -11.308 -10.286 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -6.432 -12.711 -9.352 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -5.212 -12.435 -10.460 1.00 0.00 H +ATOM 222 N GLU A 14 -7.909 -6.375 -5.398 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.563 -5.877 -4.218 1.00 0.00 C +ATOM 224 C GLU A 14 -9.003 -4.419 -4.379 1.00 0.00 C +ATOM 225 O GLU A 14 -10.065 -4.043 -3.945 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.672 -6.060 -3.012 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.205 -7.498 -2.818 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.342 -8.501 -2.710 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -8.986 -8.607 -1.637 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -8.595 -9.230 -3.681 1.00 0.00 O +ATOM 231 H GLU A 14 -6.948 -6.577 -5.341 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.445 -6.484 -4.082 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.800 -5.435 -3.128 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.210 -5.757 -2.126 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -6.600 -7.766 -3.672 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.595 -7.545 -1.931 1.00 0.00 H +ATOM 237 N TRP A 15 -8.178 -3.626 -5.027 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.448 -2.204 -5.278 1.00 0.00 C +ATOM 239 C TRP A 15 -9.725 -2.044 -6.117 1.00 0.00 C +ATOM 240 O TRP A 15 -10.572 -1.187 -5.845 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.236 -1.600 -6.012 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.294 -0.132 -6.283 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.720 0.477 -7.427 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.877 0.911 -5.403 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.604 1.834 -7.304 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.085 2.130 -6.073 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.350 0.934 -4.110 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.783 3.358 -5.494 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.051 2.151 -3.537 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.267 3.346 -4.228 1.00 0.00 C +ATOM 251 H TRP A 15 -7.318 -3.998 -5.330 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.576 -1.703 -4.330 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.352 -1.773 -5.417 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.120 -2.113 -6.955 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -8.096 -0.049 -8.292 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.852 2.486 -7.997 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.178 0.019 -3.562 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.944 4.290 -6.015 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.640 2.187 -2.539 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.014 4.274 -3.737 1.00 0.00 H +ATOM 261 N ARG A 16 -9.854 -2.876 -7.126 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.026 -2.875 -8.000 1.00 0.00 C +ATOM 263 C ARG A 16 -12.236 -3.516 -7.305 1.00 0.00 C +ATOM 264 O ARG A 16 -13.373 -3.310 -7.693 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.690 -3.559 -9.316 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.576 -2.851 -10.072 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.132 -3.634 -11.280 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.025 -2.975 -11.984 1.00 0.00 N +ATOM 269 CZ ARG A 16 -7.310 -3.520 -12.972 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -7.541 -4.767 -13.350 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -6.360 -2.814 -13.565 1.00 0.00 N +ATOM 272 H ARG A 16 -9.125 -3.517 -7.292 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.269 -1.839 -8.194 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.379 -4.573 -9.111 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.572 -3.575 -9.941 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -9.933 -1.886 -10.398 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.735 -2.719 -9.407 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -8.816 -4.617 -10.964 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -9.972 -3.722 -11.950 1.00 0.00 H +ATOM 280 HE ARG A 16 -7.825 -2.055 -11.693 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.249 -5.335 -12.925 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -7.013 -5.208 -14.083 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -6.154 -1.869 -13.295 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -5.799 -3.177 -14.316 1.00 0.00 H +ATOM 285 N LYS A 17 -11.953 -4.303 -6.302 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.948 -4.975 -5.464 1.00 0.00 C +ATOM 287 C LYS A 17 -13.474 -3.998 -4.391 1.00 0.00 C +ATOM 288 O LYS A 17 -14.585 -4.150 -3.853 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.225 -6.162 -4.840 1.00 0.00 C +ATOM 290 CG LYS A 17 -12.923 -6.979 -3.788 1.00 0.00 C +ATOM 291 CD LYS A 17 -11.955 -8.061 -3.354 1.00 0.00 C +ATOM 292 CE LYS A 17 -12.435 -8.870 -2.187 1.00 0.00 C +ATOM 293 NZ LYS A 17 -11.421 -9.870 -1.814 1.00 0.00 N +ATOM 294 H LYS A 17 -11.008 -4.469 -6.094 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.759 -5.331 -6.081 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -11.948 -6.843 -5.630 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.314 -5.772 -4.412 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -13.179 -6.347 -2.950 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -13.809 -7.440 -4.198 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -11.789 -8.734 -4.181 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -11.018 -7.591 -3.091 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -12.605 -8.208 -1.350 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -13.353 -9.375 -2.450 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -11.692 -10.376 -0.949 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -10.492 -9.412 -1.676 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -11.296 -10.570 -2.575 1.00 0.00 H +ATOM 307 N LEU A 18 -12.662 -3.013 -4.093 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.994 -1.957 -3.161 1.00 0.00 C +ATOM 309 C LEU A 18 -13.975 -0.985 -3.772 1.00 0.00 C +ATOM 310 O LEU A 18 -14.083 -0.870 -5.006 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.733 -1.186 -2.752 1.00 0.00 C +ATOM 312 CG LEU A 18 -11.189 -1.413 -1.344 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.880 -2.877 -1.086 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.957 -0.568 -1.140 1.00 0.00 C +ATOM 315 H LEU A 18 -11.776 -3.010 -4.513 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.422 -2.400 -2.275 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.950 -1.441 -3.451 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.945 -0.133 -2.862 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.926 -1.088 -0.626 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -11.787 -3.454 -1.197 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -10.500 -2.994 -0.082 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.144 -3.222 -1.799 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.204 -0.837 -1.866 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -9.575 -0.727 -0.143 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -10.226 0.471 -1.263 1.00 0.00 H +ATOM 326 N GLY A 19 -14.671 -0.289 -2.921 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.580 0.720 -3.348 1.00 0.00 C +ATOM 328 C GLY A 19 -14.810 1.926 -3.781 1.00 0.00 C +ATOM 329 O GLY A 19 -13.785 2.268 -3.153 1.00 0.00 O +ATOM 330 H GLY A 19 -14.543 -0.457 -1.963 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.157 0.341 -4.178 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.239 0.993 -2.537 1.00 0.00 H +ATOM 333 N SER A 20 -15.272 2.571 -4.828 1.00 0.00 N +ATOM 334 CA SER A 20 -14.592 3.700 -5.416 1.00 0.00 C +ATOM 335 C SER A 20 -14.261 4.821 -4.409 1.00 0.00 C +ATOM 336 O SER A 20 -13.142 5.308 -4.381 1.00 0.00 O +ATOM 337 CB SER A 20 -15.374 4.182 -6.635 1.00 0.00 C +ATOM 338 OG SER A 20 -16.781 4.037 -6.429 1.00 0.00 O +ATOM 339 H SER A 20 -16.122 2.296 -5.237 1.00 0.00 H +ATOM 340 HA SER A 20 -13.645 3.318 -5.768 1.00 0.00 H +ATOM 341 HB2 SER A 20 -15.150 5.222 -6.817 1.00 0.00 H +ATOM 342 HB3 SER A 20 -15.089 3.600 -7.498 1.00 0.00 H +ATOM 343 HG SER A 20 -17.061 4.662 -5.744 1.00 0.00 H +ATOM 344 N THR A 21 -15.185 5.128 -3.532 1.00 0.00 N +ATOM 345 CA THR A 21 -14.983 6.169 -2.538 1.00 0.00 C +ATOM 346 C THR A 21 -13.900 5.749 -1.510 1.00 0.00 C +ATOM 347 O THR A 21 -13.018 6.559 -1.139 1.00 0.00 O +ATOM 348 CB THR A 21 -16.322 6.512 -1.828 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.269 6.975 -2.806 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.142 7.591 -0.771 1.00 0.00 C +ATOM 351 H THR A 21 -16.020 4.614 -3.554 1.00 0.00 H +ATOM 352 HA THR A 21 -14.633 7.046 -3.062 1.00 0.00 H +ATOM 353 HB THR A 21 -16.705 5.613 -1.366 1.00 0.00 H +ATOM 354 HG1 THR A 21 -16.964 6.678 -3.676 1.00 0.00 H +ATOM 355 HG21 THR A 21 -15.424 7.263 -0.035 1.00 0.00 H +ATOM 356 HG22 THR A 21 -17.088 7.791 -0.289 1.00 0.00 H +ATOM 357 HG23 THR A 21 -15.784 8.491 -1.248 1.00 0.00 H +ATOM 358 N VAL A 22 -13.931 4.481 -1.099 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.979 3.961 -0.125 1.00 0.00 C +ATOM 360 C VAL A 22 -11.579 3.959 -0.708 1.00 0.00 C +ATOM 361 O VAL A 22 -10.631 4.460 -0.086 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.361 2.531 0.336 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -12.297 1.950 1.255 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.696 2.556 1.047 1.00 0.00 C +ATOM 365 H VAL A 22 -14.599 3.866 -1.471 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.990 4.618 0.732 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.454 1.902 -0.537 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -11.352 1.910 0.735 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -12.584 0.953 1.557 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -12.201 2.574 2.130 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.963 1.554 1.344 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -15.445 2.955 0.382 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.622 3.183 1.923 1.00 0.00 H +ATOM 374 N ARG A 23 -11.456 3.461 -1.918 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.172 3.430 -2.566 1.00 0.00 C +ATOM 376 C ARG A 23 -9.650 4.827 -2.850 1.00 0.00 C +ATOM 377 O ARG A 23 -8.468 5.043 -2.792 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.124 2.548 -3.800 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.139 2.870 -4.856 1.00 0.00 C +ATOM 380 CD ARG A 23 -10.806 2.149 -6.123 1.00 0.00 C +ATOM 381 NE ARG A 23 -11.775 2.420 -7.178 1.00 0.00 N +ATOM 382 CZ ARG A 23 -12.516 1.492 -7.801 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.411 0.199 -7.474 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.363 1.860 -8.751 1.00 0.00 N +ATOM 385 H ARG A 23 -12.254 3.103 -2.370 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.502 3.017 -1.825 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.145 2.645 -4.246 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.261 1.521 -3.496 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.091 2.507 -4.497 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.219 3.934 -5.025 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -9.832 2.514 -6.417 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -10.753 1.089 -5.927 1.00 0.00 H +ATOM 393 HE ARG A 23 -11.850 3.374 -7.418 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -11.784 -0.137 -6.761 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -12.972 -0.502 -7.923 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -13.464 2.821 -9.022 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -13.956 1.209 -9.237 1.00 0.00 H +ATOM 398 N GLU A 24 -10.536 5.771 -3.171 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.129 7.159 -3.382 1.00 0.00 C +ATOM 400 C GLU A 24 -9.448 7.749 -2.165 1.00 0.00 C +ATOM 401 O GLU A 24 -8.474 8.482 -2.292 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.285 8.048 -3.786 1.00 0.00 C +ATOM 403 CG GLU A 24 -11.726 7.873 -5.211 1.00 0.00 C +ATOM 404 CD GLU A 24 -12.655 8.954 -5.652 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -13.821 8.986 -5.209 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -12.226 9.806 -6.451 1.00 0.00 O +ATOM 407 H GLU A 24 -11.483 5.530 -3.292 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.409 7.150 -4.187 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.118 7.774 -3.154 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.046 9.080 -3.591 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -10.857 7.883 -5.852 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.231 6.923 -5.305 1.00 0.00 H +ATOM 413 N GLN A 25 -9.938 7.411 -0.994 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.360 7.910 0.235 1.00 0.00 C +ATOM 415 C GLN A 25 -7.998 7.282 0.463 1.00 0.00 C +ATOM 416 O GLN A 25 -7.060 7.954 0.895 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.306 7.657 1.383 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.575 8.459 1.272 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.670 7.926 2.135 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -12.823 8.303 3.297 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.458 7.069 1.560 1.00 0.00 N +ATOM 422 H GLN A 25 -10.697 6.789 -0.949 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.225 8.975 0.113 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.567 6.609 1.393 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.818 7.917 2.311 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.376 9.481 1.556 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -11.903 8.427 0.244 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.258 6.863 0.615 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -14.196 6.660 2.060 1.00 0.00 H +ATOM 430 N LEU A 26 -7.884 6.007 0.133 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.606 5.317 0.188 1.00 0.00 C +ATOM 432 C LEU A 26 -5.645 5.935 -0.820 1.00 0.00 C +ATOM 433 O LEU A 26 -4.484 6.173 -0.510 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.779 3.816 -0.069 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.482 3.018 1.038 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.751 1.611 0.580 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.629 2.993 2.300 1.00 0.00 C +ATOM 438 H LEU A 26 -8.690 5.520 -0.147 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.198 5.467 1.176 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.344 3.697 -0.982 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.799 3.385 -0.219 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.438 3.459 1.281 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.386 1.631 -0.294 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.247 1.068 1.371 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -6.819 1.123 0.337 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -7.133 2.419 3.064 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -6.465 3.999 2.653 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -5.677 2.533 2.081 1.00 0.00 H +ATOM 449 N LYS A 27 -6.159 6.221 -2.016 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.409 6.890 -3.069 1.00 0.00 C +ATOM 451 C LYS A 27 -4.870 8.235 -2.575 1.00 0.00 C +ATOM 452 O LYS A 27 -3.717 8.554 -2.803 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.325 7.144 -4.264 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.655 7.866 -5.422 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.672 8.460 -6.388 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.510 9.541 -5.701 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.402 10.255 -6.636 1.00 0.00 N +ATOM 458 H LYS A 27 -7.077 5.928 -2.214 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.594 6.257 -3.383 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.704 6.198 -4.623 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.153 7.742 -3.916 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.053 8.666 -5.018 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -5.022 7.169 -5.952 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -6.146 8.898 -7.225 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.327 7.676 -6.741 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -8.129 9.087 -4.941 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.832 10.246 -5.240 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -7.843 10.752 -7.357 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -8.944 10.982 -6.129 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -9.065 9.619 -7.121 1.00 0.00 H +ATOM 471 N LYS A 28 -5.714 9.001 -1.880 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.318 10.303 -1.323 1.00 0.00 C +ATOM 473 C LYS A 28 -4.164 10.139 -0.372 1.00 0.00 C +ATOM 474 O LYS A 28 -3.208 10.922 -0.395 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.478 10.977 -0.604 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.592 11.429 -1.511 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.743 11.989 -0.708 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.822 12.524 -1.613 1.00 0.00 C +ATOM 479 NZ LYS A 28 -11.011 12.946 -0.850 1.00 0.00 N +ATOM 480 H LYS A 28 -6.634 8.679 -1.757 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.001 10.928 -2.145 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.892 10.281 0.112 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.101 11.839 -0.073 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.219 12.192 -2.177 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -7.943 10.584 -2.087 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.160 11.204 -0.094 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.379 12.786 -0.079 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -9.432 13.367 -2.163 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.100 11.741 -2.302 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -11.464 12.123 -0.402 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -11.704 13.397 -1.475 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -10.762 13.626 -0.105 1.00 0.00 H +ATOM 493 N LYS A 29 -4.248 9.101 0.440 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.199 8.778 1.377 1.00 0.00 C +ATOM 495 C LYS A 29 -1.917 8.398 0.686 1.00 0.00 C +ATOM 496 O LYS A 29 -0.834 8.700 1.169 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.617 7.727 2.399 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.188 8.307 3.687 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.460 9.092 3.476 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.885 9.769 4.760 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.928 10.824 5.164 1.00 0.00 N +ATOM 502 H LYS A 29 -5.052 8.538 0.395 1.00 0.00 H +ATOM 503 HA LYS A 29 -3.018 9.703 1.898 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.362 7.087 1.952 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.748 7.135 2.646 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.404 7.500 4.371 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.445 8.955 4.126 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -5.287 9.846 2.722 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.244 8.424 3.151 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.879 10.179 4.660 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.869 8.988 5.509 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -5.287 11.398 5.954 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -4.666 11.450 4.369 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.042 10.387 5.480 1.00 0.00 H +ATOM 515 N LEU A 30 -2.039 7.751 -0.434 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.894 7.396 -1.225 1.00 0.00 C +ATOM 517 C LEU A 30 -0.266 8.650 -1.809 1.00 0.00 C +ATOM 518 O LEU A 30 0.940 8.823 -1.757 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.293 6.431 -2.332 1.00 0.00 C +ATOM 520 CG LEU A 30 -1.914 5.121 -1.864 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.315 4.270 -3.043 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -0.960 4.369 -0.951 1.00 0.00 C +ATOM 523 H LEU A 30 -2.936 7.481 -0.731 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.184 6.912 -0.575 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -1.999 6.935 -2.974 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.407 6.198 -2.906 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.811 5.343 -1.304 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -1.439 4.053 -3.634 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -3.034 4.803 -3.649 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -2.754 3.347 -2.697 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -1.401 3.422 -0.682 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -0.795 4.950 -0.055 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.020 4.203 -1.454 1.00 0.00 H +ATOM 534 N VAL A 31 -1.108 9.544 -2.313 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.656 10.795 -2.914 1.00 0.00 C +ATOM 536 C VAL A 31 0.105 11.651 -1.894 1.00 0.00 C +ATOM 537 O VAL A 31 1.198 12.155 -2.186 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.861 11.610 -3.487 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -1.417 12.951 -4.051 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -2.580 10.815 -4.558 1.00 0.00 C +ATOM 541 H VAL A 31 -2.070 9.337 -2.288 1.00 0.00 H +ATOM 542 HA VAL A 31 0.010 10.551 -3.728 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.561 11.797 -2.685 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -0.958 13.527 -3.262 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -2.278 13.478 -4.432 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -0.705 12.789 -4.847 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -2.952 9.906 -4.105 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -1.897 10.574 -5.358 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -3.410 11.388 -4.942 1.00 0.00 H +ATOM 550 N GLU A 32 -0.448 11.765 -0.693 1.00 0.00 N +ATOM 551 CA GLU A 32 0.184 12.541 0.365 1.00 0.00 C +ATOM 552 C GLU A 32 1.463 11.871 0.870 1.00 0.00 C +ATOM 553 O GLU A 32 2.496 12.524 1.036 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.788 12.829 1.527 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.364 11.601 2.181 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.281 11.901 3.336 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -1.803 12.021 4.467 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -3.506 12.033 3.142 1.00 0.00 O +ATOM 559 H GLU A 32 -1.309 11.320 -0.523 1.00 0.00 H +ATOM 560 HA GLU A 32 0.468 13.481 -0.083 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.276 13.394 2.292 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.609 13.422 1.150 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -1.913 11.083 1.411 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.550 10.976 2.522 1.00 0.00 H +ATOM 565 N VAL A 33 1.402 10.560 1.059 1.00 0.00 N +ATOM 566 CA VAL A 33 2.496 9.812 1.630 1.00 0.00 C +ATOM 567 C VAL A 33 3.735 9.848 0.745 1.00 0.00 C +ATOM 568 O VAL A 33 4.822 9.788 1.238 1.00 0.00 O +ATOM 569 CB VAL A 33 2.131 8.357 2.044 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.170 7.375 0.876 1.00 0.00 C +ATOM 571 CG2 VAL A 33 3.000 7.900 3.202 1.00 0.00 C +ATOM 572 H VAL A 33 0.583 10.074 0.811 1.00 0.00 H +ATOM 573 HA VAL A 33 2.763 10.358 2.526 1.00 0.00 H +ATOM 574 HB VAL A 33 1.108 8.382 2.394 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.509 7.726 0.098 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.850 6.397 1.207 1.00 0.00 H +ATOM 577 HG13 VAL A 33 3.177 7.315 0.490 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.784 6.871 3.445 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.802 8.523 4.062 1.00 0.00 H +ATOM 580 HG23 VAL A 33 4.033 8.001 2.915 1.00 0.00 H +ATOM 581 N LEU A 34 3.543 9.961 -0.565 1.00 0.00 N +ATOM 582 CA LEU A 34 4.645 9.956 -1.536 1.00 0.00 C +ATOM 583 C LEU A 34 5.718 11.001 -1.244 1.00 0.00 C +ATOM 584 O LEU A 34 6.869 10.812 -1.638 1.00 0.00 O +ATOM 585 CB LEU A 34 4.132 10.147 -2.966 1.00 0.00 C +ATOM 586 CG LEU A 34 3.297 9.014 -3.549 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.818 9.377 -4.938 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.096 7.723 -3.581 1.00 0.00 C +ATOM 589 H LEU A 34 2.622 10.032 -0.895 1.00 0.00 H +ATOM 590 HA LEU A 34 5.109 8.985 -1.480 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.533 11.045 -2.988 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.988 10.298 -3.608 1.00 0.00 H +ATOM 593 HG LEU A 34 2.427 8.861 -2.927 1.00 0.00 H +ATOM 594 HD11 LEU A 34 2.238 8.566 -5.351 1.00 0.00 H +ATOM 595 HD12 LEU A 34 3.672 9.582 -5.567 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.204 10.263 -4.876 1.00 0.00 H +ATOM 597 HD21 LEU A 34 3.505 6.942 -4.034 1.00 0.00 H +ATOM 598 HD22 LEU A 34 4.354 7.428 -2.575 1.00 0.00 H +ATOM 599 HD23 LEU A 34 4.997 7.871 -4.158 1.00 0.00 H +ATOM 600 N GLU A 35 5.366 12.092 -0.563 1.00 0.00 N +ATOM 601 CA GLU A 35 6.367 13.109 -0.249 1.00 0.00 C +ATOM 602 C GLU A 35 7.258 12.660 0.923 1.00 0.00 C +ATOM 603 O GLU A 35 8.384 13.131 1.081 1.00 0.00 O +ATOM 604 CB GLU A 35 5.721 14.475 0.026 1.00 0.00 C +ATOM 605 CG GLU A 35 4.813 14.513 1.236 1.00 0.00 C +ATOM 606 CD GLU A 35 4.088 15.816 1.365 1.00 0.00 C +ATOM 607 OE1 GLU A 35 3.004 15.969 0.767 1.00 0.00 O +ATOM 608 OE2 GLU A 35 4.564 16.715 2.074 1.00 0.00 O +ATOM 609 H GLU A 35 4.437 12.206 -0.258 1.00 0.00 H +ATOM 610 HA GLU A 35 7.002 13.190 -1.120 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.504 15.203 0.172 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.144 14.760 -0.842 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.082 13.722 1.152 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.408 14.358 2.124 1.00 0.00 H +ATOM 615 N SER A 36 6.770 11.723 1.709 1.00 0.00 N +ATOM 616 CA SER A 36 7.505 11.198 2.835 1.00 0.00 C +ATOM 617 C SER A 36 7.021 9.775 3.177 1.00 0.00 C +ATOM 618 O SER A 36 6.331 9.574 4.166 1.00 0.00 O +ATOM 619 CB SER A 36 7.367 12.145 4.044 1.00 0.00 C +ATOM 620 OG SER A 36 5.988 12.372 4.355 1.00 0.00 O +ATOM 621 H SER A 36 5.886 11.336 1.520 1.00 0.00 H +ATOM 622 HA SER A 36 8.545 11.138 2.555 1.00 0.00 H +ATOM 623 HB2 SER A 36 7.853 11.706 4.903 1.00 0.00 H +ATOM 624 HB3 SER A 36 7.834 13.091 3.812 1.00 0.00 H +ATOM 625 HG SER A 36 5.579 11.496 4.371 1.00 0.00 H +ATOM 626 N PRO A 37 7.305 8.773 2.318 1.00 0.00 N +ATOM 627 CA PRO A 37 6.842 7.404 2.549 1.00 0.00 C +ATOM 628 C PRO A 37 7.709 6.659 3.545 1.00 0.00 C +ATOM 629 O PRO A 37 7.353 5.602 4.020 1.00 0.00 O +ATOM 630 CB PRO A 37 6.922 6.769 1.164 1.00 0.00 C +ATOM 631 CG PRO A 37 8.045 7.481 0.498 1.00 0.00 C +ATOM 632 CD PRO A 37 8.023 8.894 1.027 1.00 0.00 C +ATOM 633 HA PRO A 37 5.824 7.379 2.905 1.00 0.00 H +ATOM 634 HB2 PRO A 37 7.120 5.712 1.262 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.991 6.921 0.638 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.981 7.003 0.748 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.898 7.480 -0.573 1.00 0.00 H +ATOM 638 HD2 PRO A 37 9.025 9.271 1.171 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.469 9.530 0.349 1.00 0.00 H +ATOM 640 N ARG A 38 8.816 7.257 3.884 1.00 0.00 N +ATOM 641 CA ARG A 38 9.789 6.676 4.793 1.00 0.00 C +ATOM 642 C ARG A 38 9.511 7.024 6.263 1.00 0.00 C +ATOM 643 O ARG A 38 10.427 7.245 7.039 1.00 0.00 O +ATOM 644 CB ARG A 38 11.229 7.053 4.342 1.00 0.00 C +ATOM 645 CG ARG A 38 11.436 8.508 3.876 1.00 0.00 C +ATOM 646 CD ARG A 38 11.282 9.536 4.985 1.00 0.00 C +ATOM 647 NE ARG A 38 11.366 10.904 4.463 1.00 0.00 N +ATOM 648 CZ ARG A 38 11.329 12.026 5.196 1.00 0.00 C +ATOM 649 NH1 ARG A 38 11.300 11.960 6.529 1.00 0.00 N +ATOM 650 NH2 ARG A 38 11.360 13.211 4.588 1.00 0.00 N +ATOM 651 H ARG A 38 8.961 8.144 3.496 1.00 0.00 H +ATOM 652 HA ARG A 38 9.682 5.605 4.702 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.899 6.879 5.170 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.512 6.395 3.532 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.433 8.600 3.474 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.725 8.727 3.093 1.00 0.00 H +ATOM 657 HD2 ARG A 38 10.325 9.398 5.465 1.00 0.00 H +ATOM 658 HD3 ARG A 38 12.072 9.386 5.704 1.00 0.00 H +ATOM 659 HE ARG A 38 11.437 10.969 3.481 1.00 0.00 H +ATOM 660 HH11 ARG A 38 11.313 11.094 7.037 1.00 0.00 H +ATOM 661 HH12 ARG A 38 11.261 12.786 7.097 1.00 0.00 H +ATOM 662 HH21 ARG A 38 11.414 13.297 3.587 1.00 0.00 H +ATOM 663 HH22 ARG A 38 11.346 14.083 5.085 1.00 0.00 H +ATOM 664 N ILE A 39 8.245 7.041 6.636 1.00 0.00 N +ATOM 665 CA ILE A 39 7.842 7.321 8.015 1.00 0.00 C +ATOM 666 C ILE A 39 7.922 6.021 8.812 1.00 0.00 C +ATOM 667 O ILE A 39 7.105 5.114 8.610 1.00 0.00 O +ATOM 668 CB ILE A 39 6.397 7.915 8.080 1.00 0.00 C +ATOM 669 CG1 ILE A 39 6.347 9.250 7.320 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.945 8.110 9.532 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.970 9.890 7.258 1.00 0.00 C +ATOM 672 H ILE A 39 7.566 6.814 5.967 1.00 0.00 H +ATOM 673 HA ILE A 39 8.545 8.027 8.428 1.00 0.00 H +ATOM 674 HB ILE A 39 5.723 7.218 7.605 1.00 0.00 H +ATOM 675 HG12 ILE A 39 7.006 9.954 7.804 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.687 9.090 6.307 1.00 0.00 H +ATOM 677 HG21 ILE A 39 5.966 7.162 10.048 1.00 0.00 H +ATOM 678 HG22 ILE A 39 4.940 8.504 9.546 1.00 0.00 H +ATOM 679 HG23 ILE A 39 6.612 8.805 10.021 1.00 0.00 H +ATOM 680 HD11 ILE A 39 5.037 10.818 6.709 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.618 10.088 8.259 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.283 9.223 6.756 1.00 0.00 H +ATOM 683 N GLU A 40 8.890 5.937 9.719 1.00 0.00 N +ATOM 684 CA GLU A 40 9.182 4.703 10.434 1.00 0.00 C +ATOM 685 C GLU A 40 8.031 4.174 11.282 1.00 0.00 C +ATOM 686 O GLU A 40 7.910 2.965 11.486 1.00 0.00 O +ATOM 687 CB GLU A 40 10.474 4.787 11.235 1.00 0.00 C +ATOM 688 CG GLU A 40 10.541 5.906 12.244 1.00 0.00 C +ATOM 689 CD GLU A 40 11.826 5.875 13.009 1.00 0.00 C +ATOM 690 OE1 GLU A 40 12.851 6.393 12.500 1.00 0.00 O +ATOM 691 OE2 GLU A 40 11.850 5.304 14.110 1.00 0.00 O +ATOM 692 H GLU A 40 9.422 6.737 9.926 1.00 0.00 H +ATOM 693 HA GLU A 40 9.348 3.993 9.642 1.00 0.00 H +ATOM 694 HB2 GLU A 40 10.605 3.857 11.768 1.00 0.00 H +ATOM 695 HB3 GLU A 40 11.293 4.900 10.541 1.00 0.00 H +ATOM 696 HG2 GLU A 40 10.466 6.853 11.731 1.00 0.00 H +ATOM 697 HG3 GLU A 40 9.720 5.801 12.938 1.00 0.00 H +ATOM 698 N ALA A 41 7.167 5.054 11.729 1.00 0.00 N +ATOM 699 CA ALA A 41 6.011 4.669 12.531 1.00 0.00 C +ATOM 700 C ALA A 41 4.994 3.866 11.711 1.00 0.00 C +ATOM 701 O ALA A 41 4.105 3.233 12.259 1.00 0.00 O +ATOM 702 CB ALA A 41 5.350 5.897 13.132 1.00 0.00 C +ATOM 703 H ALA A 41 7.322 6.007 11.540 1.00 0.00 H +ATOM 704 HA ALA A 41 6.369 4.048 13.340 1.00 0.00 H +ATOM 705 HB1 ALA A 41 4.976 6.527 12.338 1.00 0.00 H +ATOM 706 HB2 ALA A 41 6.072 6.445 13.721 1.00 0.00 H +ATOM 707 HB3 ALA A 41 4.530 5.590 13.763 1.00 0.00 H +ATOM 708 N ASN A 42 5.131 3.890 10.400 1.00 0.00 N +ATOM 709 CA ASN A 42 4.206 3.171 9.539 1.00 0.00 C +ATOM 710 C ASN A 42 4.792 1.863 9.042 1.00 0.00 C +ATOM 711 O ASN A 42 4.105 1.108 8.356 1.00 0.00 O +ATOM 712 CB ASN A 42 3.757 4.031 8.344 1.00 0.00 C +ATOM 713 CG ASN A 42 2.854 5.190 8.713 1.00 0.00 C +ATOM 714 OD1 ASN A 42 2.073 5.127 9.673 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.941 6.251 7.959 1.00 0.00 N +ATOM 716 H ASN A 42 5.869 4.401 9.998 1.00 0.00 H +ATOM 717 HA ASN A 42 3.333 2.941 10.134 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.633 4.462 7.884 1.00 0.00 H +ATOM 719 HB3 ASN A 42 3.244 3.407 7.628 1.00 0.00 H +ATOM 720 HD21 ASN A 42 3.577 6.227 7.215 1.00 0.00 H +ATOM 721 HD22 ASN A 42 2.382 7.037 8.140 1.00 0.00 H +ATOM 722 N LYS A 43 6.049 1.589 9.396 1.00 0.00 N +ATOM 723 CA LYS A 43 6.738 0.371 8.933 1.00 0.00 C +ATOM 724 C LYS A 43 6.166 -0.866 9.604 1.00 0.00 C +ATOM 725 O LYS A 43 5.709 -0.812 10.761 1.00 0.00 O +ATOM 726 CB LYS A 43 8.261 0.410 9.202 1.00 0.00 C +ATOM 727 CG LYS A 43 9.002 1.581 8.593 1.00 0.00 C +ATOM 728 CD LYS A 43 10.505 1.523 8.886 1.00 0.00 C +ATOM 729 CE LYS A 43 11.282 0.734 7.826 1.00 0.00 C +ATOM 730 NZ LYS A 43 11.562 1.554 6.613 1.00 0.00 N +ATOM 731 H LYS A 43 6.513 2.204 10.002 1.00 0.00 H +ATOM 732 HA LYS A 43 6.577 0.292 7.867 1.00 0.00 H +ATOM 733 HB2 LYS A 43 8.421 0.460 10.269 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.700 -0.503 8.830 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.850 1.556 7.522 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.571 2.482 8.995 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.896 2.529 8.918 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.647 1.051 9.847 1.00 0.00 H +ATOM 739 HE2 LYS A 43 12.222 0.406 8.244 1.00 0.00 H +ATOM 740 HE3 LYS A 43 10.695 -0.123 7.534 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 10.732 2.074 6.257 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 11.903 0.986 5.805 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.302 2.258 6.808 1.00 0.00 H +ATOM 744 N LEU A 44 6.150 -1.947 8.876 1.00 0.00 N +ATOM 745 CA LEU A 44 5.754 -3.227 9.404 1.00 0.00 C +ATOM 746 C LEU A 44 6.977 -3.933 9.973 1.00 0.00 C +ATOM 747 O LEU A 44 8.117 -3.560 9.664 1.00 0.00 O +ATOM 748 CB LEU A 44 5.129 -4.103 8.314 1.00 0.00 C +ATOM 749 CG LEU A 44 3.855 -3.583 7.654 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.361 -4.578 6.628 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.782 -3.322 8.690 1.00 0.00 C +ATOM 752 H LEU A 44 6.414 -1.877 7.931 1.00 0.00 H +ATOM 753 HA LEU A 44 5.032 -3.065 10.189 1.00 0.00 H +ATOM 754 HB2 LEU A 44 5.868 -4.232 7.538 1.00 0.00 H +ATOM 755 HB3 LEU A 44 4.918 -5.072 8.739 1.00 0.00 H +ATOM 756 HG LEU A 44 4.071 -2.657 7.144 1.00 0.00 H +ATOM 757 HD11 LEU A 44 4.112 -4.716 5.865 1.00 0.00 H +ATOM 758 HD12 LEU A 44 2.451 -4.209 6.181 1.00 0.00 H +ATOM 759 HD13 LEU A 44 3.164 -5.524 7.111 1.00 0.00 H +ATOM 760 HD21 LEU A 44 1.890 -2.978 8.189 1.00 0.00 H +ATOM 761 HD22 LEU A 44 3.129 -2.566 9.377 1.00 0.00 H +ATOM 762 HD23 LEU A 44 2.569 -4.234 9.227 1.00 0.00 H +ATOM 763 N ARG A 45 6.744 -4.942 10.764 1.00 0.00 N +ATOM 764 CA ARG A 45 7.787 -5.703 11.394 1.00 0.00 C +ATOM 765 C ARG A 45 8.161 -6.884 10.524 1.00 0.00 C +ATOM 766 O ARG A 45 7.282 -7.602 10.041 1.00 0.00 O +ATOM 767 CB ARG A 45 7.296 -6.220 12.737 1.00 0.00 C +ATOM 768 CG ARG A 45 6.964 -5.142 13.746 1.00 0.00 C +ATOM 769 CD ARG A 45 6.336 -5.737 14.992 1.00 0.00 C +ATOM 770 NE ARG A 45 7.219 -6.710 15.662 1.00 0.00 N +ATOM 771 CZ ARG A 45 6.806 -7.856 16.234 1.00 0.00 C +ATOM 772 NH1 ARG A 45 5.576 -8.309 16.023 1.00 0.00 N +ATOM 773 NH2 ARG A 45 7.659 -8.582 16.938 1.00 0.00 N +ATOM 774 H ARG A 45 5.820 -5.217 10.940 1.00 0.00 H +ATOM 775 HA ARG A 45 8.647 -5.070 11.557 1.00 0.00 H +ATOM 776 HB2 ARG A 45 6.407 -6.808 12.569 1.00 0.00 H +ATOM 777 HB3 ARG A 45 8.057 -6.859 13.153 1.00 0.00 H +ATOM 778 HG2 ARG A 45 7.876 -4.636 14.024 1.00 0.00 H +ATOM 779 HG3 ARG A 45 6.278 -4.439 13.300 1.00 0.00 H +ATOM 780 HD2 ARG A 45 6.113 -4.937 15.682 1.00 0.00 H +ATOM 781 HD3 ARG A 45 5.417 -6.229 14.713 1.00 0.00 H +ATOM 782 HE ARG A 45 8.163 -6.434 15.720 1.00 0.00 H +ATOM 783 HH11 ARG A 45 4.921 -7.832 15.428 1.00 0.00 H +ATOM 784 HH12 ARG A 45 5.232 -9.148 16.454 1.00 0.00 H +ATOM 785 HH21 ARG A 45 8.613 -8.291 17.043 1.00 0.00 H +ATOM 786 HH22 ARG A 45 7.403 -9.435 17.402 1.00 0.00 H +ATOM 787 N GLY A 46 9.448 -7.059 10.300 1.00 0.00 N +ATOM 788 CA GLY A 46 9.950 -8.202 9.557 1.00 0.00 C +ATOM 789 C GLY A 46 9.600 -8.158 8.093 1.00 0.00 C +ATOM 790 O GLY A 46 9.587 -9.193 7.418 1.00 0.00 O +ATOM 791 H GLY A 46 10.082 -6.392 10.640 1.00 0.00 H +ATOM 792 HA2 GLY A 46 11.024 -8.254 9.660 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.520 -9.095 9.985 1.00 0.00 H +ATOM 794 N MET A 47 9.338 -6.984 7.598 1.00 0.00 N +ATOM 795 CA MET A 47 8.933 -6.807 6.225 1.00 0.00 C +ATOM 796 C MET A 47 9.848 -5.797 5.566 1.00 0.00 C +ATOM 797 O MET A 47 10.074 -4.727 6.125 1.00 0.00 O +ATOM 798 CB MET A 47 7.477 -6.325 6.153 1.00 0.00 C +ATOM 799 CG MET A 47 6.442 -7.302 6.713 1.00 0.00 C +ATOM 800 SD MET A 47 6.328 -8.850 5.781 1.00 0.00 S +ATOM 801 CE MET A 47 5.711 -8.263 4.200 1.00 0.00 C +ATOM 802 H MET A 47 9.449 -6.190 8.164 1.00 0.00 H +ATOM 803 HA MET A 47 9.017 -7.761 5.726 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.404 -5.405 6.713 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.235 -6.121 5.120 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.709 -7.541 7.732 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.475 -6.820 6.708 1.00 0.00 H +ATOM 808 HE1 MET A 47 4.760 -7.772 4.349 1.00 0.00 H +ATOM 809 HE2 MET A 47 5.575 -9.105 3.537 1.00 0.00 H +ATOM 810 HE3 MET A 47 6.413 -7.570 3.762 1.00 0.00 H +ATOM 811 N PRO A 48 10.405 -6.118 4.388 1.00 0.00 N +ATOM 812 CA PRO A 48 11.325 -5.223 3.683 1.00 0.00 C +ATOM 813 C PRO A 48 10.652 -3.923 3.215 1.00 0.00 C +ATOM 814 O PRO A 48 9.909 -3.910 2.221 1.00 0.00 O +ATOM 815 CB PRO A 48 11.817 -6.051 2.488 1.00 0.00 C +ATOM 816 CG PRO A 48 10.777 -7.101 2.292 1.00 0.00 C +ATOM 817 CD PRO A 48 10.187 -7.378 3.648 1.00 0.00 C +ATOM 818 HA PRO A 48 12.162 -4.967 4.317 1.00 0.00 H +ATOM 819 HB2 PRO A 48 11.908 -5.414 1.621 1.00 0.00 H +ATOM 820 HB3 PRO A 48 12.777 -6.486 2.723 1.00 0.00 H +ATOM 821 HG2 PRO A 48 10.012 -6.736 1.621 1.00 0.00 H +ATOM 822 HG3 PRO A 48 11.230 -7.996 1.890 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.132 -7.593 3.558 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.704 -8.198 4.124 1.00 0.00 H +ATOM 825 N ASP A 49 10.855 -2.859 4.011 1.00 0.00 N +ATOM 826 CA ASP A 49 10.340 -1.503 3.732 1.00 0.00 C +ATOM 827 C ASP A 49 8.865 -1.480 3.461 1.00 0.00 C +ATOM 828 O ASP A 49 8.397 -0.755 2.578 1.00 0.00 O +ATOM 829 CB ASP A 49 11.095 -0.785 2.603 1.00 0.00 C +ATOM 830 CG ASP A 49 12.324 -0.064 3.084 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.223 0.711 4.072 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.409 -0.224 2.483 1.00 0.00 O +ATOM 833 H ASP A 49 11.347 -3.018 4.844 1.00 0.00 H +ATOM 834 HA ASP A 49 10.494 -0.942 4.643 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.398 -1.510 1.863 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.432 -0.066 2.143 1.00 0.00 H +ATOM 837 N CYS A 50 8.121 -2.225 4.228 1.00 0.00 N +ATOM 838 CA CYS A 50 6.713 -2.249 4.029 1.00 0.00 C +ATOM 839 C CYS A 50 6.055 -1.354 5.048 1.00 0.00 C +ATOM 840 O CYS A 50 6.483 -1.291 6.204 1.00 0.00 O +ATOM 841 CB CYS A 50 6.187 -3.673 4.122 1.00 0.00 C +ATOM 842 SG CYS A 50 6.978 -4.821 2.964 1.00 0.00 S +ATOM 843 H CYS A 50 8.516 -2.747 4.958 1.00 0.00 H +ATOM 844 HA CYS A 50 6.505 -1.860 3.044 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.352 -4.045 5.121 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.127 -3.673 3.914 1.00 0.00 H +ATOM 847 HG CYS A 50 8.068 -4.229 2.487 1.00 0.00 H +ATOM 848 N TYR A 51 5.046 -0.664 4.617 1.00 0.00 N +ATOM 849 CA TYR A 51 4.326 0.281 5.427 1.00 0.00 C +ATOM 850 C TYR A 51 2.865 0.046 5.228 1.00 0.00 C +ATOM 851 O TYR A 51 2.467 -0.556 4.220 1.00 0.00 O +ATOM 852 CB TYR A 51 4.630 1.727 4.995 1.00 0.00 C +ATOM 853 CG TYR A 51 6.072 2.156 5.080 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.006 1.750 4.141 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.493 2.973 6.096 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.316 2.151 4.229 1.00 0.00 C +ATOM 857 CE2 TYR A 51 7.794 3.376 6.186 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.700 2.963 5.256 1.00 0.00 C +ATOM 859 OH TYR A 51 10.003 3.357 5.367 1.00 0.00 O +ATOM 860 H TYR A 51 4.750 -0.793 3.685 1.00 0.00 H +ATOM 861 HA TYR A 51 4.595 0.156 6.464 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.313 1.867 3.973 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.053 2.388 5.626 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.695 1.107 3.331 1.00 0.00 H +ATOM 865 HD2 TYR A 51 5.780 3.296 6.838 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.033 1.821 3.491 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.101 4.020 6.997 1.00 0.00 H +ATOM 868 HH TYR A 51 10.317 3.641 4.497 1.00 0.00 H +ATOM 869 N LYS A 52 2.066 0.501 6.153 1.00 0.00 N +ATOM 870 CA LYS A 52 0.646 0.367 6.018 1.00 0.00 C +ATOM 871 C LYS A 52 -0.032 1.680 6.370 1.00 0.00 C +ATOM 872 O LYS A 52 0.399 2.387 7.293 1.00 0.00 O +ATOM 873 CB LYS A 52 0.074 -0.805 6.886 1.00 0.00 C +ATOM 874 CG LYS A 52 -0.159 -0.531 8.395 1.00 0.00 C +ATOM 875 CD LYS A 52 1.099 -0.110 9.149 1.00 0.00 C +ATOM 876 CE LYS A 52 0.816 0.104 10.629 1.00 0.00 C +ATOM 877 NZ LYS A 52 -0.243 1.113 10.873 1.00 0.00 N +ATOM 878 H LYS A 52 2.444 0.946 6.942 1.00 0.00 H +ATOM 879 HA LYS A 52 0.442 0.157 4.978 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.877 -1.101 6.468 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.751 -1.642 6.798 1.00 0.00 H +ATOM 882 HG2 LYS A 52 -0.889 0.259 8.491 1.00 0.00 H +ATOM 883 HG3 LYS A 52 -0.554 -1.429 8.846 1.00 0.00 H +ATOM 884 HD2 LYS A 52 1.852 -0.877 9.043 1.00 0.00 H +ATOM 885 HD3 LYS A 52 1.465 0.813 8.724 1.00 0.00 H +ATOM 886 HE2 LYS A 52 0.505 -0.834 11.062 1.00 0.00 H +ATOM 887 HE3 LYS A 52 1.728 0.431 11.105 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 -0.369 1.226 11.900 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 -1.163 0.797 10.512 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 0.001 2.046 10.488 1.00 0.00 H +ATOM 891 N ILE A 53 -1.042 2.022 5.634 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.852 3.177 5.942 1.00 0.00 C +ATOM 893 C ILE A 53 -3.249 2.672 6.165 1.00 0.00 C +ATOM 894 O ILE A 53 -3.663 1.703 5.528 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.867 4.259 4.811 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.436 4.691 4.462 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -2.695 5.488 5.259 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.354 5.716 3.349 1.00 0.00 C +ATOM 899 H ILE A 53 -1.272 1.463 4.857 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.484 3.608 6.862 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.338 3.833 3.937 1.00 0.00 H +ATOM 902 HG12 ILE A 53 0.023 5.124 5.337 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.129 3.822 4.157 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -3.715 5.202 5.476 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.709 6.242 4.486 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -2.262 5.916 6.150 1.00 0.00 H +ATOM 907 HD11 ILE A 53 -0.873 6.613 3.651 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -0.818 5.318 2.457 1.00 0.00 H +ATOM 909 HD13 ILE A 53 0.680 5.949 3.147 1.00 0.00 H +ATOM 910 N LYS A 54 -3.944 3.265 7.074 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.275 2.860 7.367 1.00 0.00 C +ATOM 912 C LYS A 54 -6.238 4.024 7.310 1.00 0.00 C +ATOM 913 O LYS A 54 -5.895 5.152 7.687 1.00 0.00 O +ATOM 914 CB LYS A 54 -5.338 2.076 8.707 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.465 2.624 9.863 1.00 0.00 C +ATOM 916 CD LYS A 54 -4.892 3.996 10.384 1.00 0.00 C +ATOM 917 CE LYS A 54 -6.242 3.962 11.093 1.00 0.00 C +ATOM 918 NZ LYS A 54 -6.210 3.128 12.317 1.00 0.00 N +ATOM 919 H LYS A 54 -3.571 4.028 7.562 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.558 2.181 6.576 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -6.363 2.049 9.046 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -5.020 1.064 8.511 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.519 1.924 10.681 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -3.442 2.676 9.518 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -4.147 4.354 11.077 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -4.954 4.670 9.541 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -6.508 4.975 11.356 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -6.978 3.569 10.406 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -5.992 2.135 12.094 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -7.130 3.151 12.800 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -5.483 3.479 12.972 1.00 0.00 H +ATOM 932 N LEU A 55 -7.397 3.774 6.775 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.438 4.742 6.744 1.00 0.00 C +ATOM 934 C LEU A 55 -9.203 4.681 8.018 1.00 0.00 C +ATOM 935 O LEU A 55 -9.847 3.674 8.306 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.411 4.506 5.592 1.00 0.00 C +ATOM 937 CG LEU A 55 -8.945 4.832 4.186 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -10.074 4.590 3.209 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -8.458 6.269 4.104 1.00 0.00 C +ATOM 940 H LEU A 55 -7.570 2.888 6.381 1.00 0.00 H +ATOM 941 HA LEU A 55 -8.001 5.723 6.634 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -9.685 3.461 5.610 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -10.296 5.082 5.804 1.00 0.00 H +ATOM 944 HG LEU A 55 -8.142 4.179 3.887 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -9.744 4.836 2.211 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -10.918 5.209 3.477 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -10.364 3.551 3.247 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -7.600 6.401 4.744 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -9.250 6.929 4.427 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -8.188 6.498 3.083 1.00 0.00 H +ATOM 951 N ARG A 56 -9.148 5.741 8.767 1.00 0.00 N +ATOM 952 CA ARG A 56 -9.903 5.861 10.000 1.00 0.00 C +ATOM 953 C ARG A 56 -11.391 5.892 9.649 1.00 0.00 C +ATOM 954 O ARG A 56 -12.239 5.434 10.402 1.00 0.00 O +ATOM 955 CB ARG A 56 -9.515 7.160 10.695 1.00 0.00 C +ATOM 956 CG ARG A 56 -10.187 7.398 12.033 1.00 0.00 C +ATOM 957 CD ARG A 56 -9.896 8.800 12.520 1.00 0.00 C +ATOM 958 NE ARG A 56 -10.455 9.806 11.609 1.00 0.00 N +ATOM 959 CZ ARG A 56 -9.849 10.939 11.230 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -8.586 11.193 11.593 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -10.500 11.797 10.465 1.00 0.00 N +ATOM 962 H ARG A 56 -8.571 6.483 8.478 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.685 5.021 10.643 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -8.446 7.161 10.853 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -9.764 7.985 10.043 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -11.253 7.276 11.915 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -9.812 6.687 12.754 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -10.327 8.931 13.502 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -8.826 8.934 12.572 1.00 0.00 H +ATOM 970 HE ARG A 56 -11.371 9.607 11.299 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -8.042 10.565 12.153 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -8.116 12.040 11.328 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -11.439 11.635 10.150 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -10.093 12.671 10.181 1.00 0.00 H +ATOM 975 N SER A 57 -11.664 6.422 8.487 1.00 0.00 N +ATOM 976 CA SER A 57 -12.979 6.573 7.962 1.00 0.00 C +ATOM 977 C SER A 57 -13.642 5.205 7.659 1.00 0.00 C +ATOM 978 O SER A 57 -14.619 4.808 8.312 1.00 0.00 O +ATOM 979 CB SER A 57 -12.831 7.374 6.686 1.00 0.00 C +ATOM 980 OG SER A 57 -11.803 8.343 6.862 1.00 0.00 O +ATOM 981 H SER A 57 -10.938 6.792 7.939 1.00 0.00 H +ATOM 982 HA SER A 57 -13.580 7.148 8.648 1.00 0.00 H +ATOM 983 HB2 SER A 57 -12.561 6.713 5.875 1.00 0.00 H +ATOM 984 HB3 SER A 57 -13.756 7.882 6.457 1.00 0.00 H +ATOM 985 HG SER A 57 -12.212 9.214 6.917 1.00 0.00 H +ATOM 986 N SER A 58 -13.078 4.483 6.706 1.00 0.00 N +ATOM 987 CA SER A 58 -13.669 3.257 6.213 1.00 0.00 C +ATOM 988 C SER A 58 -13.211 2.003 6.980 1.00 0.00 C +ATOM 989 O SER A 58 -13.899 0.986 6.964 1.00 0.00 O +ATOM 990 CB SER A 58 -13.325 3.133 4.739 1.00 0.00 C +ATOM 991 OG SER A 58 -13.589 4.359 4.071 1.00 0.00 O +ATOM 992 H SER A 58 -12.255 4.798 6.284 1.00 0.00 H +ATOM 993 HA SER A 58 -14.741 3.336 6.293 1.00 0.00 H +ATOM 994 HB2 SER A 58 -12.276 2.897 4.631 1.00 0.00 H +ATOM 995 HB3 SER A 58 -13.924 2.356 4.289 1.00 0.00 H +ATOM 996 HG SER A 58 -14.525 4.561 4.196 1.00 0.00 H +ATOM 997 N GLY A 59 -12.064 2.073 7.636 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.556 0.911 8.349 1.00 0.00 C +ATOM 999 C GLY A 59 -10.730 0.003 7.451 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.440 -1.149 7.804 1.00 0.00 O +ATOM 1001 H GLY A 59 -11.548 2.907 7.678 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.941 1.246 9.172 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -12.392 0.347 8.736 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.348 0.522 6.301 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.560 -0.224 5.333 1.00 0.00 C +ATOM 1006 C TYR A 60 -8.101 0.098 5.486 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.742 1.231 5.814 1.00 0.00 O +ATOM 1008 CB TYR A 60 -10.028 0.054 3.898 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.320 -0.639 3.528 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.532 -0.240 4.066 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.321 -1.708 2.644 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.704 -0.880 3.737 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.489 -2.358 2.311 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.677 -1.938 2.859 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.849 -2.588 2.538 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.577 1.452 6.107 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.702 -1.273 5.547 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.179 1.116 3.778 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.263 -0.271 3.209 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.549 0.591 4.756 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.386 -2.032 2.212 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.638 -0.549 4.166 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.469 -3.189 1.622 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.484 -1.901 2.295 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.271 -0.886 5.273 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.855 -0.754 5.435 1.00 0.00 C +ATOM 1027 C ARG A 61 -5.170 -1.103 4.122 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.658 -1.941 3.360 1.00 0.00 O +ATOM 1029 CB ARG A 61 -5.393 -1.701 6.533 1.00 0.00 C +ATOM 1030 CG ARG A 61 -6.240 -1.614 7.794 1.00 0.00 C +ATOM 1031 CD ARG A 61 -5.743 -2.553 8.845 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.628 -2.599 10.017 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -6.320 -3.151 11.202 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -5.083 -3.573 11.447 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.244 -3.242 12.148 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.606 -1.762 4.973 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.621 0.260 5.718 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.437 -2.713 6.161 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -4.372 -1.464 6.793 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -6.210 -0.607 8.180 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -7.258 -1.873 7.544 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -5.661 -3.536 8.407 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -4.770 -2.198 9.137 1.00 0.00 H +ATOM 1044 HE ARG A 61 -7.524 -2.222 9.860 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -4.354 -3.485 10.762 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -4.823 -3.998 12.320 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -8.177 -2.905 12.000 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -7.063 -3.638 13.051 1.00 0.00 H +ATOM 1049 N LEU A 62 -4.071 -0.467 3.854 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.326 -0.691 2.640 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.856 -0.897 2.996 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.312 -0.150 3.801 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.557 0.521 1.695 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.936 0.491 0.284 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.627 1.509 -0.599 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.461 0.822 0.334 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.735 0.202 4.492 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.706 -1.587 2.174 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.623 0.639 1.575 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.186 1.399 2.202 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.059 -0.487 -0.154 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -4.680 1.272 -0.659 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.196 1.469 -1.588 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.500 2.496 -0.179 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -0.943 0.061 0.897 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.337 1.772 0.831 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.064 0.874 -0.669 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.235 -1.910 2.403 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.158 -2.266 2.676 1.00 0.00 C +ATOM 1070 C VAL A 63 0.997 -2.155 1.393 1.00 0.00 C +ATOM 1071 O VAL A 63 0.646 -2.729 0.341 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.272 -3.719 3.241 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.725 -4.104 3.495 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.543 -3.870 4.520 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.708 -2.442 1.723 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.545 -1.575 3.411 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.129 -4.396 2.500 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.152 -3.417 4.211 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.283 -4.054 2.572 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 1.771 -5.108 3.893 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.441 -4.878 4.895 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -1.582 -3.662 4.314 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -0.180 -3.172 5.260 1.00 0.00 H +ATOM 1084 N TYR A 64 2.092 -1.445 1.481 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.965 -1.232 0.346 1.00 0.00 C +ATOM 1086 C TYR A 64 4.420 -1.334 0.754 1.00 0.00 C +ATOM 1087 O TYR A 64 4.738 -1.195 1.933 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.691 0.136 -0.318 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.812 1.362 0.583 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.038 1.782 1.088 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.699 2.106 0.903 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.138 2.895 1.880 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.790 3.222 1.695 1.00 0.00 C +ATOM 1094 CZ TYR A 64 3.015 3.613 2.183 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.115 4.720 2.982 1.00 0.00 O +ATOM 1096 H TYR A 64 2.341 -1.061 2.353 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.760 -2.008 -0.375 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.372 0.277 -1.143 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.682 0.119 -0.703 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.922 1.212 0.848 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.737 1.797 0.522 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.101 3.201 2.261 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.895 3.783 1.918 1.00 0.00 H +ATOM 1104 HH TYR A 64 3.895 5.216 2.722 1.00 0.00 H +ATOM 1105 N GLN A 65 5.282 -1.589 -0.199 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.704 -1.587 0.047 1.00 0.00 C +ATOM 1107 C GLN A 65 7.319 -0.408 -0.693 1.00 0.00 C +ATOM 1108 O GLN A 65 6.927 -0.097 -1.825 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.379 -2.915 -0.365 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.336 -3.238 -1.857 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.062 -4.526 -2.197 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.479 -5.608 -2.214 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.342 -4.432 -2.451 1.00 0.00 N +ATOM 1114 H GLN A 65 4.960 -1.760 -1.113 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.844 -1.418 1.104 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.417 -2.877 -0.070 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.900 -3.721 0.170 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.305 -3.331 -2.164 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.798 -2.427 -2.400 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.786 -3.558 -2.416 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.838 -5.249 -2.662 1.00 0.00 H +ATOM 1122 N VAL A 66 8.215 0.277 -0.059 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.855 1.412 -0.679 1.00 0.00 C +ATOM 1124 C VAL A 66 10.183 0.994 -1.269 1.00 0.00 C +ATOM 1125 O VAL A 66 11.112 0.624 -0.543 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.069 2.585 0.314 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.773 3.764 -0.364 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.743 3.036 0.895 1.00 0.00 C +ATOM 1129 H VAL A 66 8.462 0.005 0.854 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.214 1.748 -1.482 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.694 2.232 1.121 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 9.171 4.117 -1.189 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 10.736 3.443 -0.734 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.910 4.561 0.351 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.102 3.398 0.106 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.918 3.819 1.617 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 7.270 2.199 1.386 1.00 0.00 H +ATOM 1138 N ILE A 67 10.277 1.023 -2.567 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.503 0.696 -3.213 1.00 0.00 C +ATOM 1140 C ILE A 67 12.213 2.005 -3.479 1.00 0.00 C +ATOM 1141 O ILE A 67 11.941 2.682 -4.482 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.278 -0.037 -4.562 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.251 -1.171 -4.399 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.609 -0.601 -5.066 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.869 -1.851 -5.700 1.00 0.00 C +ATOM 1146 H ILE A 67 9.510 1.298 -3.120 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.096 0.081 -2.553 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.912 0.678 -5.284 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.659 -1.925 -3.741 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.353 -0.768 -3.955 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 13.307 0.211 -5.216 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 12.448 -1.116 -6.002 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.009 -1.292 -4.339 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 9.444 -1.116 -6.368 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.141 -2.624 -5.504 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 10.749 -2.282 -6.154 1.00 0.00 H +ATOM 1157 N ASP A 68 13.098 2.379 -2.584 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.802 3.648 -2.670 1.00 0.00 C +ATOM 1159 C ASP A 68 14.765 3.646 -3.836 1.00 0.00 C +ATOM 1160 O ASP A 68 15.052 4.683 -4.422 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.551 3.936 -1.367 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.694 2.975 -1.095 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 15.443 1.847 -0.641 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 16.858 3.347 -1.314 1.00 0.00 O +ATOM 1165 H ASP A 68 13.299 1.806 -1.810 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.067 4.424 -2.826 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 14.951 4.934 -1.421 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 13.851 3.882 -0.546 1.00 0.00 H +ATOM 1169 N GLU A 69 15.206 2.465 -4.188 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.138 2.238 -5.278 1.00 0.00 C +ATOM 1171 C GLU A 69 15.500 2.556 -6.636 1.00 0.00 C +ATOM 1172 O GLU A 69 16.178 2.959 -7.574 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.581 0.791 -5.225 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.260 0.425 -3.918 1.00 0.00 C +ATOM 1175 CD GLU A 69 17.462 -1.050 -3.764 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 18.416 -1.603 -4.341 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 16.648 -1.700 -3.056 1.00 0.00 O +ATOM 1178 H GLU A 69 14.910 1.699 -3.655 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.001 2.867 -5.128 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.720 0.152 -5.358 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.279 0.617 -6.029 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 18.225 0.907 -3.880 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 16.651 0.781 -3.100 1.00 0.00 H +ATOM 1184 N LYS A 70 14.198 2.370 -6.734 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.478 2.660 -7.968 1.00 0.00 C +ATOM 1186 C LYS A 70 12.675 3.946 -7.820 1.00 0.00 C +ATOM 1187 O LYS A 70 12.072 4.430 -8.779 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.534 1.514 -8.335 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.200 0.197 -8.688 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.145 -0.847 -9.037 1.00 0.00 C +ATOM 1191 CE LYS A 70 12.750 -2.202 -9.379 1.00 0.00 C +ATOM 1192 NZ LYS A 70 13.663 -2.144 -10.548 1.00 0.00 N +ATOM 1193 H LYS A 70 13.707 2.041 -5.955 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.205 2.785 -8.755 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 11.912 1.322 -7.474 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 11.911 1.821 -9.163 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 13.849 0.347 -9.539 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 13.777 -0.150 -7.844 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 11.486 -0.970 -8.190 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 11.573 -0.491 -9.881 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 13.298 -2.564 -8.523 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 11.946 -2.889 -9.591 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 13.159 -1.832 -11.402 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 14.052 -3.094 -10.723 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 14.466 -1.508 -10.377 1.00 0.00 H +ATOM 1206 N VAL A 71 12.666 4.484 -6.594 1.00 0.00 N +ATOM 1207 CA VAL A 71 11.934 5.713 -6.244 1.00 0.00 C +ATOM 1208 C VAL A 71 10.405 5.461 -6.412 1.00 0.00 C +ATOM 1209 O VAL A 71 9.607 6.366 -6.636 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.439 6.954 -7.104 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 11.824 8.279 -6.641 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 13.964 7.056 -7.064 1.00 0.00 C +ATOM 1213 H VAL A 71 13.178 4.036 -5.890 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.120 5.896 -5.196 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.141 6.786 -8.128 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 12.078 8.452 -5.606 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 10.750 8.232 -6.745 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.206 9.087 -7.246 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.292 7.188 -6.043 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.285 7.901 -7.656 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.395 6.152 -7.465 1.00 0.00 H +ATOM 1222 N VAL A 72 9.998 4.226 -6.221 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.608 3.882 -6.392 1.00 0.00 C +ATOM 1224 C VAL A 72 8.086 3.088 -5.200 1.00 0.00 C +ATOM 1225 O VAL A 72 8.788 2.251 -4.617 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.328 3.126 -7.745 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 8.995 1.772 -7.797 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 6.832 3.003 -8.036 1.00 0.00 C +ATOM 1229 H VAL A 72 10.630 3.536 -5.923 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.065 4.818 -6.409 1.00 0.00 H +ATOM 1231 HB VAL A 72 8.774 3.713 -8.535 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 8.761 1.301 -8.741 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 8.635 1.165 -6.980 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 10.060 1.910 -7.713 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.353 2.458 -7.236 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.686 2.477 -8.968 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.396 3.989 -8.108 1.00 0.00 H +ATOM 1238 N VAL A 73 6.903 3.414 -4.817 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.191 2.767 -3.779 1.00 0.00 C +ATOM 1240 C VAL A 73 5.266 1.747 -4.433 1.00 0.00 C +ATOM 1241 O VAL A 73 4.426 2.094 -5.278 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.375 3.803 -2.975 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.598 3.142 -1.875 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.288 4.882 -2.405 1.00 0.00 C +ATOM 1245 H VAL A 73 6.445 4.152 -5.273 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.889 2.269 -3.124 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.679 4.280 -3.648 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 3.915 2.422 -2.301 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 4.040 3.887 -1.329 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 5.279 2.635 -1.208 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 7.031 4.428 -1.766 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 5.705 5.587 -1.833 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 6.780 5.397 -3.216 1.00 0.00 H +ATOM 1254 N PHE A 74 5.440 0.519 -4.076 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.739 -0.570 -4.692 1.00 0.00 C +ATOM 1256 C PHE A 74 3.712 -1.141 -3.719 1.00 0.00 C +ATOM 1257 O PHE A 74 4.076 -1.723 -2.694 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.783 -1.623 -5.095 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.275 -2.800 -5.871 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.938 -2.670 -7.208 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 5.177 -4.046 -5.275 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.510 -3.757 -7.935 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.745 -5.139 -5.997 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.414 -4.993 -7.331 1.00 0.00 C +ATOM 1265 H PHE A 74 6.060 0.311 -3.341 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.245 -0.211 -5.583 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.536 -1.146 -5.703 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.258 -1.992 -4.198 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 5.013 -1.702 -7.679 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.434 -4.157 -4.232 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.250 -3.644 -8.977 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.670 -6.108 -5.523 1.00 0.00 H +ATOM 1273 HZ PHE A 74 4.078 -5.847 -7.901 1.00 0.00 H +ATOM 1274 N VAL A 75 2.446 -0.935 -4.014 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.362 -1.440 -3.178 1.00 0.00 C +ATOM 1276 C VAL A 75 1.202 -2.919 -3.428 1.00 0.00 C +ATOM 1277 O VAL A 75 0.960 -3.320 -4.556 1.00 0.00 O +ATOM 1278 CB VAL A 75 0.018 -0.714 -3.473 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.110 -1.259 -2.602 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.165 0.789 -3.279 1.00 0.00 C +ATOM 1281 H VAL A 75 2.226 -0.442 -4.837 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.632 -1.290 -2.143 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.244 -0.898 -4.505 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.252 -2.308 -2.814 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -2.025 -0.724 -2.804 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -0.850 -1.142 -1.559 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 -0.782 1.271 -3.474 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 0.908 1.165 -3.967 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.478 1.000 -2.267 1.00 0.00 H +ATOM 1290 N ILE A 76 1.331 -3.714 -2.383 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.277 -5.162 -2.524 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.115 -5.670 -2.172 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.670 -6.542 -2.839 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.286 -5.861 -1.570 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.675 -5.222 -1.670 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.376 -7.358 -1.901 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.663 -5.764 -0.655 1.00 0.00 C +ATOM 1298 H ILE A 76 1.456 -3.322 -1.492 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.520 -5.427 -3.542 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.921 -5.760 -0.558 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.081 -5.406 -2.654 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.589 -4.156 -1.518 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 2.678 -7.482 -2.932 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 1.416 -7.827 -1.748 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 3.113 -7.819 -1.259 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 5.618 -5.281 -0.792 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.773 -6.830 -0.795 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 4.300 -5.569 0.343 1.00 0.00 H +ATOM 1309 N SER A 77 -0.683 -5.128 -1.124 1.00 0.00 N +ATOM 1310 CA SER A 77 -1.959 -5.591 -0.647 1.00 0.00 C +ATOM 1311 C SER A 77 -2.791 -4.422 -0.157 1.00 0.00 C +ATOM 1312 O SER A 77 -2.252 -3.433 0.329 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.743 -6.605 0.481 1.00 0.00 C +ATOM 1314 OG SER A 77 -0.912 -7.667 0.036 1.00 0.00 O +ATOM 1315 H SER A 77 -0.258 -4.384 -0.643 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.471 -6.083 -1.461 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.268 -6.117 1.320 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.695 -7.012 0.789 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.760 -7.545 -0.909 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.077 -4.523 -0.315 1.00 0.00 N +ATOM 1321 CA VAL A 78 -4.984 -3.499 0.109 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.302 -4.150 0.503 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.689 -5.158 -0.088 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.188 -2.421 -1.018 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.727 -3.027 -2.300 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.078 -1.292 -0.553 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.486 -5.319 -0.720 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.558 -3.024 0.980 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.215 -2.012 -1.245 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -5.038 -3.778 -2.661 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.836 -2.254 -3.046 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -6.687 -3.481 -2.108 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -7.051 -1.680 -0.290 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -6.176 -0.565 -1.346 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -5.632 -0.821 0.311 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.928 -3.649 1.535 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.206 -4.158 1.917 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.446 -4.043 3.391 1.00 0.00 C +ATOM 1339 O GLY A 79 -8.488 -2.940 3.935 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.525 -2.940 2.087 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.962 -3.587 1.398 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.293 -5.190 1.615 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.567 -5.153 4.053 1.00 0.00 N +ATOM 1344 CA LYS A 80 -8.895 -5.160 5.452 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.060 -6.171 6.185 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.652 -7.185 5.630 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.387 -5.476 5.658 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.333 -4.430 5.081 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.792 -4.845 5.178 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.248 -5.015 6.616 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -14.667 -5.426 6.701 1.00 0.00 N +ATOM 1352 H LYS A 80 -8.395 -6.017 3.615 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.699 -4.176 5.848 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.605 -6.424 5.191 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.570 -5.556 6.719 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.203 -3.506 5.627 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.078 -4.268 4.044 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -13.395 -4.084 4.709 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -12.932 -5.777 4.651 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -12.643 -5.779 7.080 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -13.112 -4.080 7.139 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -15.295 -4.727 6.252 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -14.953 -5.516 7.696 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -14.813 -6.348 6.245 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.790 -5.892 7.416 1.00 0.00 N +ATOM 1366 CA ALA A 81 -7.081 -6.804 8.229 1.00 0.00 C +ATOM 1367 C ALA A 81 -8.040 -7.407 9.214 1.00 0.00 C +ATOM 1368 O ALA A 81 -8.313 -6.830 10.279 1.00 0.00 O +ATOM 1369 CB ALA A 81 -5.911 -6.139 8.927 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.106 -5.045 7.800 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.707 -7.589 7.588 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -5.367 -6.870 9.509 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -6.280 -5.360 9.577 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -5.256 -5.705 8.184 1.00 0.00 H +ATOM 1375 N GLU A 82 -8.620 -8.510 8.829 1.00 0.00 N +ATOM 1376 CA GLU A 82 -9.536 -9.231 9.681 1.00 0.00 C +ATOM 1377 C GLU A 82 -8.708 -9.940 10.740 1.00 0.00 C +ATOM 1378 O GLU A 82 -9.011 -9.910 11.935 1.00 0.00 O +ATOM 1379 CB GLU A 82 -10.421 -10.225 8.867 1.00 0.00 C +ATOM 1380 CG GLU A 82 -9.700 -11.423 8.226 1.00 0.00 C +ATOM 1381 CD GLU A 82 -8.654 -11.041 7.205 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -7.467 -10.821 7.594 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -8.997 -10.940 6.018 1.00 0.00 O +ATOM 1384 H GLU A 82 -8.408 -8.873 7.940 1.00 0.00 H +ATOM 1385 HA GLU A 82 -10.161 -8.505 10.178 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -11.185 -10.619 9.520 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -10.909 -9.667 8.080 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -9.201 -11.954 9.022 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -10.434 -12.064 7.765 1.00 0.00 H +ATOM 1390 N ALA A 83 -7.627 -10.506 10.286 1.00 0.00 N +ATOM 1391 CA ALA A 83 -6.669 -11.130 11.114 1.00 0.00 C +ATOM 1392 C ALA A 83 -5.306 -10.824 10.563 1.00 0.00 C +ATOM 1393 O ALA A 83 -4.555 -10.060 11.164 1.00 0.00 O +ATOM 1394 CB ALA A 83 -6.899 -12.630 11.194 1.00 0.00 C +ATOM 1395 H ALA A 83 -7.485 -10.506 9.308 1.00 0.00 H +ATOM 1396 HA ALA A 83 -6.753 -10.708 12.105 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -7.888 -12.824 11.584 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -6.161 -13.077 11.844 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -6.809 -13.055 10.207 1.00 0.00 H +ATOM 1400 N SER A 84 -4.999 -11.346 9.381 1.00 0.00 N +ATOM 1401 CA SER A 84 -3.675 -11.158 8.818 1.00 0.00 C +ATOM 1402 C SER A 84 -3.652 -11.223 7.277 1.00 0.00 C +ATOM 1403 O SER A 84 -2.580 -11.388 6.712 1.00 0.00 O +ATOM 1404 CB SER A 84 -2.707 -12.222 9.379 1.00 0.00 C +ATOM 1405 OG SER A 84 -2.657 -12.199 10.809 1.00 0.00 O +ATOM 1406 H SER A 84 -5.674 -11.857 8.883 1.00 0.00 H +ATOM 1407 HA SER A 84 -3.318 -10.192 9.138 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -3.035 -13.203 9.065 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -1.715 -12.037 8.993 1.00 0.00 H +ATOM 1410 HG SER A 84 -2.674 -11.278 11.107 1.00 0.00 H +ATOM 1411 N GLU A 85 -4.793 -11.024 6.593 1.00 0.00 N +ATOM 1412 CA GLU A 85 -4.818 -11.140 5.109 1.00 0.00 C +ATOM 1413 C GLU A 85 -3.831 -10.184 4.446 1.00 0.00 C +ATOM 1414 O GLU A 85 -3.093 -10.574 3.528 1.00 0.00 O +ATOM 1415 CB GLU A 85 -6.213 -10.898 4.552 1.00 0.00 C +ATOM 1416 CG GLU A 85 -6.315 -11.084 3.044 1.00 0.00 C +ATOM 1417 CD GLU A 85 -7.722 -10.971 2.533 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -8.171 -9.856 2.216 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -8.407 -12.011 2.419 1.00 0.00 O +ATOM 1420 H GLU A 85 -5.651 -10.832 7.043 1.00 0.00 H +ATOM 1421 HA GLU A 85 -4.517 -12.149 4.868 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -6.899 -11.572 5.040 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -6.502 -9.884 4.789 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -5.714 -10.328 2.560 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -5.927 -12.059 2.792 1.00 0.00 H +ATOM 1426 N VAL A 86 -3.779 -8.957 4.950 1.00 0.00 N +ATOM 1427 CA VAL A 86 -2.864 -7.941 4.428 1.00 0.00 C +ATOM 1428 C VAL A 86 -1.388 -8.335 4.616 1.00 0.00 C +ATOM 1429 O VAL A 86 -0.515 -7.813 3.948 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.125 -6.534 5.039 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -4.508 -6.028 4.652 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -2.968 -6.549 6.559 1.00 0.00 C +ATOM 1433 H VAL A 86 -4.400 -8.729 5.672 1.00 0.00 H +ATOM 1434 HA VAL A 86 -3.047 -7.888 3.364 1.00 0.00 H +ATOM 1435 HB VAL A 86 -2.398 -5.853 4.624 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -4.670 -5.055 5.091 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -5.255 -6.714 5.021 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -4.579 -5.956 3.577 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -1.966 -6.864 6.814 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -3.679 -7.240 6.988 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -3.144 -5.557 6.950 1.00 0.00 H +ATOM 1442 N TYR A 87 -1.129 -9.256 5.527 1.00 0.00 N +ATOM 1443 CA TYR A 87 0.215 -9.739 5.739 1.00 0.00 C +ATOM 1444 C TYR A 87 0.466 -10.952 4.879 1.00 0.00 C +ATOM 1445 O TYR A 87 1.519 -11.077 4.298 1.00 0.00 O +ATOM 1446 CB TYR A 87 0.479 -10.100 7.197 1.00 0.00 C +ATOM 1447 CG TYR A 87 0.496 -8.940 8.158 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 1.638 -8.169 8.312 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 -0.608 -8.634 8.935 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 1.678 -7.124 9.206 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 -0.576 -7.594 9.839 1.00 0.00 C +ATOM 1452 CZ TYR A 87 0.571 -6.841 9.972 1.00 0.00 C +ATOM 1453 OH TYR A 87 0.613 -5.815 10.895 1.00 0.00 O +ATOM 1454 H TYR A 87 -1.866 -9.649 6.041 1.00 0.00 H +ATOM 1455 HA TYR A 87 0.897 -8.957 5.442 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 -0.281 -10.791 7.529 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 1.437 -10.596 7.255 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 2.505 -8.392 7.708 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 -1.504 -9.226 8.825 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 2.579 -6.538 9.302 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 -1.447 -7.370 10.436 1.00 0.00 H +ATOM 1462 HH TYR A 87 0.274 -6.209 11.710 1.00 0.00 H +ATOM 1463 N SER A 88 -0.530 -11.825 4.794 1.00 0.00 N +ATOM 1464 CA SER A 88 -0.439 -13.072 4.047 1.00 0.00 C +ATOM 1465 C SER A 88 -0.080 -12.835 2.581 1.00 0.00 C +ATOM 1466 O SER A 88 0.892 -13.403 2.072 1.00 0.00 O +ATOM 1467 CB SER A 88 -1.767 -13.812 4.153 1.00 0.00 C +ATOM 1468 OG SER A 88 -2.107 -14.028 5.518 1.00 0.00 O +ATOM 1469 H SER A 88 -1.372 -11.641 5.266 1.00 0.00 H +ATOM 1470 HA SER A 88 0.324 -13.683 4.504 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -2.543 -13.221 3.690 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -1.694 -14.766 3.653 1.00 0.00 H +ATOM 1473 HG SER A 88 -1.303 -13.881 6.039 1.00 0.00 H +ATOM 1474 N GLU A 89 -0.821 -11.952 1.938 1.00 0.00 N +ATOM 1475 CA GLU A 89 -0.609 -11.655 0.533 1.00 0.00 C +ATOM 1476 C GLU A 89 0.740 -10.982 0.306 1.00 0.00 C +ATOM 1477 O GLU A 89 1.363 -11.141 -0.748 1.00 0.00 O +ATOM 1478 CB GLU A 89 -1.744 -10.785 0.005 1.00 0.00 C +ATOM 1479 CG GLU A 89 -3.100 -11.464 0.033 1.00 0.00 C +ATOM 1480 CD GLU A 89 -3.117 -12.705 -0.817 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -2.958 -12.593 -2.040 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -3.265 -13.831 -0.280 1.00 0.00 O +ATOM 1483 H GLU A 89 -1.536 -11.479 2.417 1.00 0.00 H +ATOM 1484 HA GLU A 89 -0.615 -12.592 -0.003 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -1.800 -9.888 0.604 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -1.522 -10.510 -1.016 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -3.333 -11.740 1.050 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -3.849 -10.778 -0.334 1.00 0.00 H +ATOM 1489 N ALA A 90 1.198 -10.267 1.306 1.00 0.00 N +ATOM 1490 CA ALA A 90 2.450 -9.567 1.222 1.00 0.00 C +ATOM 1491 C ALA A 90 3.622 -10.508 1.478 1.00 0.00 C +ATOM 1492 O ALA A 90 4.569 -10.551 0.700 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.474 -8.392 2.190 1.00 0.00 C +ATOM 1494 H ALA A 90 0.667 -10.220 2.127 1.00 0.00 H +ATOM 1495 HA ALA A 90 2.536 -9.179 0.218 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 3.394 -7.840 2.058 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 2.415 -8.758 3.204 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 1.632 -7.745 1.988 1.00 0.00 H +ATOM 1499 N VAL A 91 3.536 -11.301 2.539 1.00 0.00 N +ATOM 1500 CA VAL A 91 4.624 -12.191 2.920 1.00 0.00 C +ATOM 1501 C VAL A 91 4.855 -13.268 1.858 1.00 0.00 C +ATOM 1502 O VAL A 91 5.990 -13.605 1.565 1.00 0.00 O +ATOM 1503 CB VAL A 91 4.447 -12.818 4.349 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 3.296 -13.816 4.422 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 5.751 -13.437 4.846 1.00 0.00 C +ATOM 1506 H VAL A 91 2.718 -11.278 3.088 1.00 0.00 H +ATOM 1507 HA VAL A 91 5.511 -11.573 2.925 1.00 0.00 H +ATOM 1508 HB VAL A 91 4.193 -12.006 5.016 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 2.377 -13.317 4.153 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 3.217 -14.204 5.427 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 3.478 -14.628 3.734 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 5.595 -13.877 5.820 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 6.509 -12.671 4.913 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 6.072 -14.197 4.150 1.00 0.00 H +ATOM 1515 N LYS A 92 3.778 -13.725 1.218 1.00 0.00 N +ATOM 1516 CA LYS A 92 3.869 -14.729 0.150 1.00 0.00 C +ATOM 1517 C LYS A 92 4.524 -14.169 -1.107 1.00 0.00 C +ATOM 1518 O LYS A 92 4.822 -14.903 -2.058 1.00 0.00 O +ATOM 1519 CB LYS A 92 2.508 -15.354 -0.177 1.00 0.00 C +ATOM 1520 CG LYS A 92 1.949 -16.262 0.913 1.00 0.00 C +ATOM 1521 CD LYS A 92 2.872 -17.442 1.179 1.00 0.00 C +ATOM 1522 CE LYS A 92 2.263 -18.411 2.168 1.00 0.00 C +ATOM 1523 NZ LYS A 92 3.163 -19.551 2.441 1.00 0.00 N +ATOM 1524 H LYS A 92 2.890 -13.389 1.479 1.00 0.00 H +ATOM 1525 HA LYS A 92 4.524 -15.504 0.521 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 1.797 -14.560 -0.350 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 2.607 -15.933 -1.083 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 1.838 -15.697 1.826 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 0.986 -16.638 0.602 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 3.055 -17.964 0.252 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 3.809 -17.081 1.581 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 2.054 -17.892 3.091 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 1.339 -18.785 1.751 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 4.062 -19.222 2.848 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 3.401 -20.069 1.573 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 2.736 -20.222 3.110 1.00 0.00 H +ATOM 1537 N ARG A 93 4.703 -12.873 -1.143 1.00 0.00 N +ATOM 1538 CA ARG A 93 5.368 -12.244 -2.247 1.00 0.00 C +ATOM 1539 C ARG A 93 6.878 -12.201 -1.987 1.00 0.00 C +ATOM 1540 O ARG A 93 7.679 -12.179 -2.917 1.00 0.00 O +ATOM 1541 CB ARG A 93 4.814 -10.841 -2.460 1.00 0.00 C +ATOM 1542 CG ARG A 93 5.324 -10.150 -3.705 1.00 0.00 C +ATOM 1543 CD ARG A 93 5.003 -10.970 -4.943 1.00 0.00 C +ATOM 1544 NE ARG A 93 5.175 -10.189 -6.146 1.00 0.00 N +ATOM 1545 CZ ARG A 93 4.187 -9.491 -6.701 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 2.936 -9.623 -6.244 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 4.423 -8.686 -7.713 1.00 0.00 N +ATOM 1548 H ARG A 93 4.371 -12.324 -0.399 1.00 0.00 H +ATOM 1549 HA ARG A 93 5.178 -12.837 -3.128 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 3.738 -10.899 -2.525 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 5.073 -10.234 -1.605 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 4.854 -9.182 -3.791 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 6.395 -10.031 -3.630 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 5.673 -11.815 -4.978 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 3.984 -11.321 -4.886 1.00 0.00 H +ATOM 1556 HE ARG A 93 6.089 -10.167 -6.512 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 2.664 -10.231 -5.500 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 2.191 -9.050 -6.625 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 5.330 -8.556 -8.123 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 3.646 -8.137 -8.059 1.00 0.00 H +ATOM 1561 N ILE A 94 7.251 -12.199 -0.725 1.00 0.00 N +ATOM 1562 CA ILE A 94 8.653 -12.172 -0.344 1.00 0.00 C +ATOM 1563 C ILE A 94 9.166 -13.598 -0.122 1.00 0.00 C +ATOM 1564 O ILE A 94 10.279 -13.948 -0.545 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.932 -11.258 0.925 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 8.817 -9.742 0.600 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 10.301 -11.540 1.543 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 7.439 -9.236 0.244 1.00 0.00 C +ATOM 1569 H ILE A 94 6.563 -12.235 -0.027 1.00 0.00 H +ATOM 1570 HA ILE A 94 9.191 -11.765 -1.189 1.00 0.00 H +ATOM 1571 HB ILE A 94 8.187 -11.505 1.668 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 9.146 -9.179 1.462 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 9.478 -9.519 -0.224 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 11.070 -11.346 0.811 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 10.351 -12.573 1.855 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 10.449 -10.899 2.399 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 7.487 -8.176 0.041 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 6.766 -9.417 1.070 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 7.082 -9.757 -0.632 1.00 0.00 H +ATOM 1580 N LEU A 95 8.361 -14.417 0.520 1.00 0.00 N +ATOM 1581 CA LEU A 95 8.712 -15.784 0.779 1.00 0.00 C +ATOM 1582 C LEU A 95 7.422 -16.581 0.960 1.00 0.00 C +ATOM 1583 O LEU A 95 6.908 -16.675 2.088 1.00 0.00 O +ATOM 1584 CB LEU A 95 9.651 -15.875 2.018 1.00 0.00 C +ATOM 1585 CG LEU A 95 10.450 -17.187 2.225 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 11.537 -16.966 3.255 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 9.564 -18.339 2.680 1.00 0.00 C +ATOM 1588 OXT LEU A 95 6.913 -17.110 -0.047 1.00 0.00 O +ATOM 1589 H LEU A 95 7.477 -14.123 0.841 1.00 0.00 H +ATOM 1590 HA LEU A 95 9.224 -16.163 -0.093 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 10.362 -15.066 1.947 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 9.045 -15.710 2.897 1.00 0.00 H +ATOM 1593 HG LEU A 95 10.923 -17.458 1.294 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 11.084 -16.672 4.190 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 12.204 -16.186 2.916 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 12.093 -17.880 3.395 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 10.162 -19.230 2.797 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 8.796 -18.518 1.940 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 9.102 -18.089 3.624 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 16 +ATOM 1 N MET A 1 10.549 14.056 -0.148 1.00 0.00 N +ATOM 2 CA MET A 1 11.078 13.212 -1.219 1.00 0.00 C +ATOM 3 C MET A 1 9.974 12.393 -1.792 1.00 0.00 C +ATOM 4 O MET A 1 9.339 11.616 -1.085 1.00 0.00 O +ATOM 5 CB MET A 1 12.202 12.310 -0.722 1.00 0.00 C +ATOM 6 CG MET A 1 12.716 11.300 -1.747 1.00 0.00 C +ATOM 7 SD MET A 1 13.369 12.075 -3.238 1.00 0.00 S +ATOM 8 CE MET A 1 13.811 10.620 -4.195 1.00 0.00 C +ATOM 9 H MET A 1 11.275 14.613 0.343 1.00 0.00 H +ATOM 10 HA MET A 1 11.455 13.864 -1.992 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.027 12.957 -0.469 1.00 0.00 H +ATOM 12 HB3 MET A 1 11.848 11.780 0.147 1.00 0.00 H +ATOM 13 HG2 MET A 1 13.501 10.713 -1.294 1.00 0.00 H +ATOM 14 HG3 MET A 1 11.901 10.649 -2.025 1.00 0.00 H +ATOM 15 HE1 MET A 1 14.233 10.925 -5.142 1.00 0.00 H +ATOM 16 HE2 MET A 1 12.927 10.026 -4.371 1.00 0.00 H +ATOM 17 HE3 MET A 1 14.537 10.036 -3.649 1.00 0.00 H +ATOM 18 N ALA A 2 9.778 12.540 -3.056 1.00 0.00 N +ATOM 19 CA ALA A 2 8.699 11.884 -3.738 1.00 0.00 C +ATOM 20 C ALA A 2 9.174 10.634 -4.421 1.00 0.00 C +ATOM 21 O ALA A 2 10.319 10.554 -4.884 1.00 0.00 O +ATOM 22 CB ALA A 2 8.040 12.815 -4.740 1.00 0.00 C +ATOM 23 H ALA A 2 10.426 13.091 -3.543 1.00 0.00 H +ATOM 24 HA ALA A 2 7.960 11.614 -2.998 1.00 0.00 H +ATOM 25 HB1 ALA A 2 8.743 13.057 -5.523 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.727 13.721 -4.242 1.00 0.00 H +ATOM 27 HB3 ALA A 2 7.178 12.323 -5.168 1.00 0.00 H +ATOM 28 N TYR A 3 8.312 9.672 -4.470 1.00 0.00 N +ATOM 29 CA TYR A 3 8.574 8.409 -5.112 1.00 0.00 C +ATOM 30 C TYR A 3 7.477 8.186 -6.136 1.00 0.00 C +ATOM 31 O TYR A 3 6.532 8.982 -6.216 1.00 0.00 O +ATOM 32 CB TYR A 3 8.530 7.250 -4.092 1.00 0.00 C +ATOM 33 CG TYR A 3 9.638 7.190 -3.039 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.846 8.226 -2.142 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.449 6.065 -2.931 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.824 8.152 -1.172 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.425 5.977 -1.955 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.609 7.024 -1.081 1.00 0.00 C +ATOM 39 OH TYR A 3 12.574 6.937 -0.095 1.00 0.00 O +ATOM 40 H TYR A 3 7.424 9.813 -4.081 1.00 0.00 H +ATOM 41 HA TYR A 3 9.542 8.440 -5.590 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.596 7.309 -3.554 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.543 6.320 -4.642 1.00 0.00 H +ATOM 44 HD1 TYR A 3 9.230 9.111 -2.212 1.00 0.00 H +ATOM 45 HD2 TYR A 3 10.305 5.246 -3.620 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.957 8.978 -0.490 1.00 0.00 H +ATOM 47 HE2 TYR A 3 12.042 5.096 -1.884 1.00 0.00 H +ATOM 48 HH TYR A 3 13.389 6.573 -0.480 1.00 0.00 H +ATOM 49 N PHE A 4 7.596 7.153 -6.912 1.00 0.00 N +ATOM 50 CA PHE A 4 6.542 6.772 -7.822 1.00 0.00 C +ATOM 51 C PHE A 4 5.576 5.877 -7.063 1.00 0.00 C +ATOM 52 O PHE A 4 5.944 5.315 -6.041 1.00 0.00 O +ATOM 53 CB PHE A 4 7.108 6.022 -9.035 1.00 0.00 C +ATOM 54 CG PHE A 4 8.058 6.825 -9.872 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.582 7.797 -10.733 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.425 6.610 -9.799 1.00 0.00 C +ATOM 57 CE1 PHE A 4 8.448 8.541 -11.506 1.00 0.00 C +ATOM 58 CE2 PHE A 4 10.298 7.349 -10.570 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.809 8.316 -11.427 1.00 0.00 C +ATOM 60 H PHE A 4 8.426 6.626 -6.871 1.00 0.00 H +ATOM 61 HA PHE A 4 6.028 7.665 -8.147 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.656 5.162 -8.680 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.297 5.687 -9.665 1.00 0.00 H +ATOM 64 HD1 PHE A 4 6.518 7.971 -10.794 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.808 5.854 -9.128 1.00 0.00 H +ATOM 66 HE1 PHE A 4 8.059 9.294 -12.173 1.00 0.00 H +ATOM 67 HE2 PHE A 4 11.361 7.172 -10.501 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.488 8.897 -12.034 1.00 0.00 H +ATOM 69 N LEU A 5 4.371 5.745 -7.532 1.00 0.00 N +ATOM 70 CA LEU A 5 3.395 4.903 -6.865 1.00 0.00 C +ATOM 71 C LEU A 5 2.892 3.905 -7.897 1.00 0.00 C +ATOM 72 O LEU A 5 2.470 4.300 -8.989 1.00 0.00 O +ATOM 73 CB LEU A 5 2.224 5.781 -6.315 1.00 0.00 C +ATOM 74 CG LEU A 5 1.292 5.191 -5.201 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.559 3.934 -5.631 1.00 0.00 C +ATOM 76 CD2 LEU A 5 2.058 4.940 -3.915 1.00 0.00 C +ATOM 77 H LEU A 5 4.108 6.201 -8.359 1.00 0.00 H +ATOM 78 HA LEU A 5 3.880 4.379 -6.055 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.653 6.694 -5.931 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.605 6.048 -7.158 1.00 0.00 H +ATOM 81 HG LEU A 5 0.532 5.928 -4.988 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.005 3.550 -4.794 1.00 0.00 H +ATOM 83 HD12 LEU A 5 1.278 3.191 -5.945 1.00 0.00 H +ATOM 84 HD13 LEU A 5 -0.113 4.163 -6.446 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.496 5.862 -3.563 1.00 0.00 H +ATOM 86 HD22 LEU A 5 2.832 4.210 -4.096 1.00 0.00 H +ATOM 87 HD23 LEU A 5 1.382 4.556 -3.167 1.00 0.00 H +ATOM 88 N ASP A 6 2.969 2.639 -7.587 1.00 0.00 N +ATOM 89 CA ASP A 6 2.530 1.612 -8.500 1.00 0.00 C +ATOM 90 C ASP A 6 1.742 0.571 -7.716 1.00 0.00 C +ATOM 91 O ASP A 6 1.790 0.540 -6.476 1.00 0.00 O +ATOM 92 CB ASP A 6 3.739 0.950 -9.169 1.00 0.00 C +ATOM 93 CG ASP A 6 3.440 0.352 -10.541 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.329 -0.161 -10.787 1.00 0.00 O +ATOM 95 OD2 ASP A 6 4.310 0.441 -11.430 1.00 0.00 O +ATOM 96 H ASP A 6 3.328 2.357 -6.713 1.00 0.00 H +ATOM 97 HA ASP A 6 1.900 2.060 -9.254 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.520 1.688 -9.288 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.103 0.162 -8.526 1.00 0.00 H +ATOM 100 N PHE A 7 1.060 -0.279 -8.413 1.00 0.00 N +ATOM 101 CA PHE A 7 0.227 -1.283 -7.809 1.00 0.00 C +ATOM 102 C PHE A 7 0.582 -2.626 -8.387 1.00 0.00 C +ATOM 103 O PHE A 7 0.878 -2.741 -9.590 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.267 -1.019 -8.088 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.829 0.269 -7.538 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -1.788 1.437 -8.285 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.418 0.301 -6.287 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.319 2.611 -7.789 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.954 1.473 -5.787 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.903 2.629 -6.537 1.00 0.00 C +ATOM 111 H PHE A 7 1.166 -0.269 -9.393 1.00 0.00 H +ATOM 112 HA PHE A 7 0.393 -1.281 -6.742 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.417 -1.001 -9.157 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.843 -1.837 -7.677 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.332 1.422 -9.264 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.456 -0.602 -5.697 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.277 3.515 -8.378 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.412 1.482 -4.808 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.323 3.545 -6.147 1.00 0.00 H +ATOM 120 N ASP A 8 0.589 -3.630 -7.563 1.00 0.00 N +ATOM 121 CA ASP A 8 0.778 -4.975 -8.044 1.00 0.00 C +ATOM 122 C ASP A 8 -0.553 -5.466 -8.589 1.00 0.00 C +ATOM 123 O ASP A 8 -1.605 -4.961 -8.187 1.00 0.00 O +ATOM 124 CB ASP A 8 1.279 -5.908 -6.940 1.00 0.00 C +ATOM 125 CG ASP A 8 1.528 -7.307 -7.452 1.00 0.00 C +ATOM 126 OD1 ASP A 8 2.649 -7.596 -7.925 1.00 0.00 O +ATOM 127 OD2 ASP A 8 0.619 -8.147 -7.397 1.00 0.00 O +ATOM 128 H ASP A 8 0.463 -3.478 -6.600 1.00 0.00 H +ATOM 129 HA ASP A 8 1.494 -4.941 -8.853 1.00 0.00 H +ATOM 130 HB2 ASP A 8 2.203 -5.520 -6.537 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.538 -5.957 -6.156 1.00 0.00 H +ATOM 132 N GLU A 9 -0.520 -6.414 -9.505 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.726 -6.946 -10.112 1.00 0.00 C +ATOM 134 C GLU A 9 -2.699 -7.537 -9.082 1.00 0.00 C +ATOM 135 O GLU A 9 -3.904 -7.557 -9.323 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.406 -7.991 -11.161 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.592 -9.151 -10.645 1.00 0.00 C +ATOM 138 CD GLU A 9 -0.585 -10.285 -11.602 1.00 0.00 C +ATOM 139 OE1 GLU A 9 0.107 -10.209 -12.635 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -1.291 -11.265 -11.361 1.00 0.00 O +ATOM 141 H GLU A 9 0.348 -6.784 -9.769 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.223 -6.122 -10.600 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.333 -8.386 -11.550 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.858 -7.527 -11.968 1.00 0.00 H +ATOM 145 HG2 GLU A 9 0.424 -8.825 -10.482 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -1.018 -9.486 -9.710 1.00 0.00 H +ATOM 147 N ARG A 10 -2.185 -8.050 -7.962 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.071 -8.583 -6.926 1.00 0.00 C +ATOM 149 C ARG A 10 -3.823 -7.428 -6.320 1.00 0.00 C +ATOM 150 O ARG A 10 -5.051 -7.435 -6.248 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.312 -9.283 -5.808 1.00 0.00 C +ATOM 152 CG ARG A 10 -1.317 -10.325 -6.245 1.00 0.00 C +ATOM 153 CD ARG A 10 -0.784 -11.078 -5.047 1.00 0.00 C +ATOM 154 NE ARG A 10 -1.734 -12.085 -4.548 1.00 0.00 N +ATOM 155 CZ ARG A 10 -2.435 -12.021 -3.398 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -2.643 -10.852 -2.774 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -3.002 -13.117 -2.920 1.00 0.00 N +ATOM 158 H ARG A 10 -1.206 -8.062 -7.831 1.00 0.00 H +ATOM 159 HA ARG A 10 -3.768 -9.267 -7.387 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.779 -8.534 -5.241 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.029 -9.755 -5.153 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -1.791 -11.021 -6.919 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -0.496 -9.829 -6.742 1.00 0.00 H +ATOM 164 HD2 ARG A 10 0.134 -11.575 -5.322 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -0.581 -10.372 -4.255 1.00 0.00 H +ATOM 166 HE ARG A 10 -1.739 -12.910 -5.084 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -2.314 -9.966 -3.108 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -3.172 -10.824 -1.921 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -2.935 -14.006 -3.380 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -3.500 -13.081 -2.038 1.00 0.00 H +ATOM 171 N ALA A 11 -3.062 -6.397 -5.983 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.571 -5.199 -5.358 1.00 0.00 C +ATOM 173 C ALA A 11 -4.579 -4.495 -6.244 1.00 0.00 C +ATOM 174 O ALA A 11 -5.454 -3.831 -5.755 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.433 -4.262 -4.995 1.00 0.00 C +ATOM 176 H ALA A 11 -2.101 -6.452 -6.164 1.00 0.00 H +ATOM 177 HA ALA A 11 -4.063 -5.494 -4.443 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -2.828 -3.402 -4.474 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.934 -3.935 -5.895 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -1.728 -4.776 -4.358 1.00 0.00 H +ATOM 181 N LEU A 12 -4.462 -4.666 -7.554 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.383 -4.048 -8.484 1.00 0.00 C +ATOM 183 C LEU A 12 -6.739 -4.695 -8.410 1.00 0.00 C +ATOM 184 O LEU A 12 -7.767 -4.021 -8.486 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.849 -4.090 -9.910 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.754 -3.083 -10.251 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.259 -3.305 -11.671 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.291 -1.659 -10.100 1.00 0.00 C +ATOM 189 H LEU A 12 -3.746 -5.242 -7.899 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.491 -3.016 -8.186 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.458 -5.083 -10.082 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.680 -3.937 -10.577 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.923 -3.205 -9.572 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -4.082 -3.183 -12.358 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.858 -4.303 -11.766 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -2.489 -2.584 -11.902 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -4.578 -1.469 -9.077 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -5.161 -1.537 -10.729 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -3.530 -0.953 -10.401 1.00 0.00 H +ATOM 200 N LYS A 13 -6.741 -5.991 -8.226 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.966 -6.742 -8.100 1.00 0.00 C +ATOM 202 C LYS A 13 -8.667 -6.309 -6.819 1.00 0.00 C +ATOM 203 O LYS A 13 -9.871 -6.058 -6.800 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.644 -8.228 -8.035 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.897 -8.760 -9.242 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.475 -10.188 -9.005 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.822 -10.810 -10.235 1.00 0.00 C +ATOM 208 NZ LYS A 13 -4.490 -10.235 -10.523 1.00 0.00 N +ATOM 209 H LYS A 13 -5.887 -6.469 -8.155 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.582 -6.538 -8.963 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -7.032 -8.406 -7.163 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.564 -8.783 -7.934 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.539 -8.719 -10.110 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -6.018 -8.155 -9.410 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.738 -10.123 -8.219 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -7.321 -10.774 -8.681 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -5.712 -11.872 -10.074 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -6.467 -10.650 -11.087 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -3.832 -10.513 -9.767 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -4.542 -9.196 -10.573 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -4.139 -10.607 -11.430 1.00 0.00 H +ATOM 222 N GLU A 14 -7.872 -6.169 -5.787 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.312 -5.753 -4.471 1.00 0.00 C +ATOM 224 C GLU A 14 -8.816 -4.291 -4.493 1.00 0.00 C +ATOM 225 O GLU A 14 -9.861 -3.966 -3.941 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.132 -5.924 -3.519 1.00 0.00 C +ATOM 227 CG GLU A 14 -6.658 -7.368 -3.427 1.00 0.00 C +ATOM 228 CD GLU A 14 -5.351 -7.547 -2.699 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -5.182 -6.964 -1.607 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -4.498 -8.325 -3.184 1.00 0.00 O +ATOM 231 H GLU A 14 -6.920 -6.375 -5.910 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.113 -6.403 -4.152 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.312 -5.315 -3.872 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -7.417 -5.593 -2.532 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -7.406 -7.938 -2.901 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.554 -7.754 -4.429 1.00 0.00 H +ATOM 237 N TRP A 15 -8.081 -3.446 -5.178 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.390 -2.021 -5.337 1.00 0.00 C +ATOM 239 C TRP A 15 -9.716 -1.831 -6.090 1.00 0.00 C +ATOM 240 O TRP A 15 -10.525 -0.960 -5.752 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.224 -1.370 -6.101 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.306 0.101 -6.316 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.740 0.740 -7.436 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.903 1.119 -5.401 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.646 2.095 -7.269 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.131 2.356 -6.027 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.374 1.102 -4.108 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.847 3.563 -5.405 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.093 2.299 -3.493 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.327 3.511 -4.139 1.00 0.00 C +ATOM 251 H TRP A 15 -7.244 -3.776 -5.575 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.473 -1.563 -4.361 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.309 -1.557 -5.560 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.151 -1.847 -7.067 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -8.103 0.234 -8.319 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.909 2.752 -7.953 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.187 0.174 -3.591 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -7.024 4.509 -5.893 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.681 2.308 -2.494 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.089 4.424 -3.612 1.00 0.00 H +ATOM 261 N ARG A 16 -9.924 -2.628 -7.115 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.164 -2.572 -7.873 1.00 0.00 C +ATOM 263 C ARG A 16 -12.309 -3.216 -7.114 1.00 0.00 C +ATOM 264 O ARG A 16 -13.470 -2.897 -7.342 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.997 -3.163 -9.257 1.00 0.00 C +ATOM 266 CG ARG A 16 -10.025 -2.379 -10.106 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.850 -3.003 -11.461 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.879 -2.264 -12.260 1.00 0.00 N +ATOM 269 CZ ARG A 16 -8.587 -2.490 -13.542 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -9.268 -3.408 -14.236 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -7.621 -1.779 -14.131 1.00 0.00 N +ATOM 272 H ARG A 16 -9.216 -3.258 -7.377 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.401 -1.523 -7.972 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.627 -4.173 -9.161 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.953 -3.178 -9.756 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.398 -1.374 -10.229 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -9.069 -2.349 -9.604 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.512 -4.020 -11.327 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -10.805 -3.000 -11.966 1.00 0.00 H +ATOM 280 HE ARG A 16 -8.411 -1.551 -11.766 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -10.005 -3.948 -13.821 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -9.078 -3.571 -15.207 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -7.107 -1.076 -13.628 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -7.350 -1.899 -15.089 1.00 0.00 H +ATOM 285 N LYS A 17 -11.973 -4.125 -6.212 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.951 -4.751 -5.328 1.00 0.00 C +ATOM 287 C LYS A 17 -13.491 -3.691 -4.354 1.00 0.00 C +ATOM 288 O LYS A 17 -14.654 -3.742 -3.919 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.299 -5.903 -4.565 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.238 -6.667 -3.663 1.00 0.00 C +ATOM 291 CD LYS A 17 -12.501 -7.741 -2.903 1.00 0.00 C +ATOM 292 CE LYS A 17 -13.441 -8.522 -2.012 1.00 0.00 C +ATOM 293 NZ LYS A 17 -14.450 -9.282 -2.786 1.00 0.00 N +ATOM 294 H LYS A 17 -11.032 -4.401 -6.148 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.765 -5.124 -5.930 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -11.880 -6.598 -5.278 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.498 -5.502 -3.961 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -13.685 -5.981 -2.958 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -14.011 -7.121 -4.266 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -12.044 -8.419 -3.609 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -11.738 -7.281 -2.293 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -12.864 -9.208 -1.410 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -13.949 -7.816 -1.371 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -15.051 -8.673 -3.378 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -15.065 -9.833 -2.155 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -13.975 -9.962 -3.415 1.00 0.00 H +ATOM 307 N LEU A 18 -12.631 -2.747 -4.013 1.00 0.00 N +ATOM 308 CA LEU A 18 -13.013 -1.597 -3.219 1.00 0.00 C +ATOM 309 C LEU A 18 -14.004 -0.770 -3.977 1.00 0.00 C +ATOM 310 O LEU A 18 -13.874 -0.610 -5.192 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.801 -0.758 -2.825 1.00 0.00 C +ATOM 312 CG LEU A 18 -11.183 -1.057 -1.464 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.951 -2.534 -1.261 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.897 -0.290 -1.307 1.00 0.00 C +ATOM 315 H LEU A 18 -11.702 -2.841 -4.314 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.492 -1.965 -2.325 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -11.040 -0.896 -3.578 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -12.102 0.279 -2.836 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.859 -0.720 -0.697 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -11.919 -3.010 -1.333 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -10.526 -2.705 -0.284 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.300 -2.913 -2.033 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.463 -0.511 -0.344 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -10.125 0.764 -1.368 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.211 -0.564 -2.094 1.00 0.00 H +ATOM 326 N GLY A 19 -14.967 -0.253 -3.252 1.00 0.00 N +ATOM 327 CA GLY A 19 -16.103 0.449 -3.842 1.00 0.00 C +ATOM 328 C GLY A 19 -15.725 1.617 -4.726 1.00 0.00 C +ATOM 329 O GLY A 19 -15.657 1.490 -5.949 1.00 0.00 O +ATOM 330 H GLY A 19 -14.893 -0.361 -2.276 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.684 -0.249 -4.427 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.718 0.816 -3.034 1.00 0.00 H +ATOM 333 N SER A 20 -15.494 2.736 -4.119 1.00 0.00 N +ATOM 334 CA SER A 20 -15.132 3.924 -4.822 1.00 0.00 C +ATOM 335 C SER A 20 -14.552 4.906 -3.823 1.00 0.00 C +ATOM 336 O SER A 20 -13.376 5.225 -3.873 1.00 0.00 O +ATOM 337 CB SER A 20 -16.367 4.522 -5.540 1.00 0.00 C +ATOM 338 OG SER A 20 -16.019 5.641 -6.323 1.00 0.00 O +ATOM 339 H SER A 20 -15.578 2.765 -3.143 1.00 0.00 H +ATOM 340 HA SER A 20 -14.379 3.672 -5.554 1.00 0.00 H +ATOM 341 HB2 SER A 20 -16.805 3.775 -6.185 1.00 0.00 H +ATOM 342 HB3 SER A 20 -17.093 4.824 -4.800 1.00 0.00 H +ATOM 343 HG SER A 20 -16.814 5.966 -6.764 1.00 0.00 H +ATOM 344 N THR A 21 -15.357 5.276 -2.862 1.00 0.00 N +ATOM 345 CA THR A 21 -14.995 6.248 -1.859 1.00 0.00 C +ATOM 346 C THR A 21 -13.814 5.734 -1.017 1.00 0.00 C +ATOM 347 O THR A 21 -12.817 6.427 -0.852 1.00 0.00 O +ATOM 348 CB THR A 21 -16.225 6.539 -0.975 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.381 6.664 -1.840 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.060 7.842 -0.221 1.00 0.00 C +ATOM 351 H THR A 21 -16.251 4.884 -2.816 1.00 0.00 H +ATOM 352 HA THR A 21 -14.693 7.161 -2.350 1.00 0.00 H +ATOM 353 HB THR A 21 -16.366 5.723 -0.282 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.101 7.200 -2.597 1.00 0.00 H +ATOM 355 HG21 THR A 21 -15.166 7.802 0.384 1.00 0.00 H +ATOM 356 HG22 THR A 21 -16.918 7.995 0.417 1.00 0.00 H +ATOM 357 HG23 THR A 21 -15.986 8.658 -0.926 1.00 0.00 H +ATOM 358 N VAL A 22 -13.896 4.474 -0.605 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.864 3.846 0.209 1.00 0.00 C +ATOM 360 C VAL A 22 -11.520 3.858 -0.512 1.00 0.00 C +ATOM 361 O VAL A 22 -10.506 4.272 0.055 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.261 2.386 0.562 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -12.105 1.628 1.176 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.435 2.377 1.519 1.00 0.00 C +ATOM 365 H VAL A 22 -14.688 3.949 -0.849 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.774 4.408 1.128 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.565 1.879 -0.342 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -12.420 0.616 1.390 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -11.797 2.112 2.092 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -11.280 1.606 0.480 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -15.272 2.892 1.074 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -14.157 2.861 2.444 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.709 1.351 1.712 1.00 0.00 H +ATOM 374 N ARG A 23 -11.522 3.463 -1.768 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.292 3.463 -2.525 1.00 0.00 C +ATOM 376 C ARG A 23 -9.799 4.877 -2.790 1.00 0.00 C +ATOM 377 O ARG A 23 -8.609 5.120 -2.801 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.362 2.650 -3.808 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.473 3.030 -4.749 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.197 2.471 -6.110 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.198 2.872 -7.102 1.00 0.00 N +ATOM 382 CZ ARG A 23 -12.743 2.050 -8.017 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.559 0.724 -7.938 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.513 2.554 -8.979 1.00 0.00 N +ATOM 385 H ARG A 23 -12.370 3.187 -2.174 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.559 3.010 -1.869 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.428 2.767 -4.336 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.476 1.608 -3.548 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.374 2.569 -4.367 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.626 4.099 -4.782 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.229 2.861 -6.396 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -11.151 1.394 -6.047 1.00 0.00 H +ATOM 393 HE ARG A 23 -12.414 3.834 -7.114 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -12.027 0.299 -7.201 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -12.944 0.110 -8.634 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -13.701 3.536 -9.038 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -13.918 1.965 -9.684 1.00 0.00 H +ATOM 398 N GLU A 24 -10.718 5.801 -3.000 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.352 7.178 -3.229 1.00 0.00 C +ATOM 400 C GLU A 24 -9.664 7.799 -2.032 1.00 0.00 C +ATOM 401 O GLU A 24 -8.668 8.500 -2.208 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.513 8.018 -3.706 1.00 0.00 C +ATOM 403 CG GLU A 24 -11.915 7.716 -5.132 1.00 0.00 C +ATOM 404 CD GLU A 24 -12.955 8.657 -5.638 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -12.617 9.828 -5.908 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -14.112 8.261 -5.790 1.00 0.00 O +ATOM 407 H GLU A 24 -11.670 5.557 -3.006 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.613 7.145 -4.017 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.361 7.811 -3.067 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.253 9.063 -3.632 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -11.043 7.791 -5.766 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.305 6.709 -5.176 1.00 0.00 H +ATOM 413 N GLN A 25 -10.156 7.536 -0.819 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.455 8.036 0.362 1.00 0.00 C +ATOM 415 C GLN A 25 -8.083 7.430 0.444 1.00 0.00 C +ATOM 416 O GLN A 25 -7.119 8.141 0.648 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.186 7.831 1.696 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.295 8.836 2.016 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.506 8.738 1.137 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -13.439 8.006 1.445 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -12.523 9.488 0.060 1.00 0.00 N +ATOM 422 H GLN A 25 -10.984 7.011 -0.736 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.317 9.095 0.193 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.620 6.842 1.704 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.440 7.894 2.478 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.615 8.689 3.036 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -10.881 9.828 1.921 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -11.750 10.068 -0.098 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -13.293 9.428 -0.544 1.00 0.00 H +ATOM 430 N LEU A 26 -7.995 6.122 0.228 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.717 5.419 0.252 1.00 0.00 C +ATOM 432 C LEU A 26 -5.751 5.988 -0.771 1.00 0.00 C +ATOM 433 O LEU A 26 -4.580 6.198 -0.460 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.905 3.924 0.051 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.594 3.183 1.205 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.826 1.737 0.844 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.755 3.272 2.476 1.00 0.00 C +ATOM 438 H LEU A 26 -8.819 5.616 0.049 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.287 5.585 1.228 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.486 3.803 -0.853 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.932 3.481 -0.109 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.552 3.642 1.400 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -6.878 1.262 0.644 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.449 1.681 -0.036 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.313 1.233 1.666 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -5.769 2.879 2.284 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -7.225 2.681 3.249 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -6.683 4.298 2.805 1.00 0.00 H +ATOM 449 N LYS A 27 -6.248 6.264 -1.974 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.447 6.896 -3.010 1.00 0.00 C +ATOM 451 C LYS A 27 -4.914 8.245 -2.519 1.00 0.00 C +ATOM 452 O LYS A 27 -3.746 8.552 -2.687 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.294 7.138 -4.250 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.535 7.807 -5.387 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.457 8.283 -6.494 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.346 9.430 -6.023 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.235 9.913 -7.098 1.00 0.00 N +ATOM 458 H LYS A 27 -7.174 5.993 -2.181 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.624 6.245 -3.264 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.668 6.187 -4.599 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.130 7.754 -3.961 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.011 8.659 -4.982 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -4.821 7.105 -5.792 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -5.861 8.619 -7.330 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.082 7.458 -6.803 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -7.950 9.096 -5.194 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.709 10.238 -5.687 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -8.853 9.160 -7.462 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -7.683 10.266 -7.903 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -8.841 10.691 -6.769 1.00 0.00 H +ATOM 471 N LYS A 28 -5.777 9.020 -1.881 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.404 10.329 -1.351 1.00 0.00 C +ATOM 473 C LYS A 28 -4.374 10.188 -0.247 1.00 0.00 C +ATOM 474 O LYS A 28 -3.490 11.049 -0.088 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.619 11.086 -0.837 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.643 11.406 -1.892 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.842 12.072 -1.265 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.944 12.289 -2.264 1.00 0.00 C +ATOM 479 NZ LYS A 28 -9.563 13.212 -3.362 1.00 0.00 N +ATOM 480 H LYS A 28 -6.701 8.697 -1.769 1.00 0.00 H +ATOM 481 HA LYS A 28 -4.959 10.888 -2.160 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -7.108 10.490 -0.082 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.294 12.015 -0.394 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.207 12.069 -2.624 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -7.957 10.490 -2.369 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.217 11.432 -0.480 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.544 13.022 -0.849 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -10.184 11.323 -2.681 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.803 12.675 -1.738 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -10.383 13.359 -3.987 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -8.778 12.845 -3.936 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -9.279 14.140 -2.986 1.00 0.00 H +ATOM 493 N LYS A 29 -4.492 9.114 0.527 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.538 8.839 1.590 1.00 0.00 C +ATOM 495 C LYS A 29 -2.179 8.508 0.981 1.00 0.00 C +ATOM 496 O LYS A 29 -1.140 8.832 1.549 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.982 7.705 2.553 1.00 0.00 C +ATOM 498 CG LYS A 29 -5.434 7.747 3.057 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.863 9.106 3.595 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.067 9.544 4.798 1.00 0.00 C +ATOM 501 NZ LYS A 29 -5.254 8.668 5.974 1.00 0.00 N +ATOM 502 H LYS A 29 -5.261 8.520 0.375 1.00 0.00 H +ATOM 503 HA LYS A 29 -3.414 9.756 2.138 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -3.851 6.761 2.052 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -3.329 7.725 3.413 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -6.089 7.496 2.236 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -5.551 7.005 3.834 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -5.735 9.842 2.814 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.908 9.056 3.862 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -4.023 9.558 4.526 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.401 10.540 5.032 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -4.657 9.004 6.759 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -4.990 7.682 5.789 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -6.238 8.684 6.317 1.00 0.00 H +ATOM 515 N LEU A 30 -2.203 7.855 -0.162 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.997 7.558 -0.908 1.00 0.00 C +ATOM 517 C LEU A 30 -0.408 8.846 -1.472 1.00 0.00 C +ATOM 518 O LEU A 30 0.796 9.052 -1.442 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.290 6.577 -2.044 1.00 0.00 C +ATOM 520 CG LEU A 30 -1.879 5.229 -1.631 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.144 4.370 -2.848 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -0.959 4.518 -0.654 1.00 0.00 C +ATOM 523 H LEU A 30 -3.066 7.540 -0.512 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.286 7.109 -0.230 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -1.980 7.053 -2.724 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.368 6.393 -2.575 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.827 5.399 -1.141 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -2.831 4.878 -3.508 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -2.573 3.429 -2.536 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -1.214 4.191 -3.363 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -0.860 5.123 0.235 1.00 0.00 H +ATOM 532 HD22 LEU A 30 0.011 4.374 -1.106 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -1.384 3.561 -0.392 1.00 0.00 H +ATOM 534 N VAL A 31 -1.278 9.719 -1.961 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.864 10.993 -2.530 1.00 0.00 C +ATOM 536 C VAL A 31 -0.142 11.858 -1.486 1.00 0.00 C +ATOM 537 O VAL A 31 0.931 12.392 -1.756 1.00 0.00 O +ATOM 538 CB VAL A 31 -2.081 11.762 -3.137 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -1.691 13.154 -3.608 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -2.657 10.978 -4.294 1.00 0.00 C +ATOM 541 H VAL A 31 -2.230 9.472 -1.956 1.00 0.00 H +ATOM 542 HA VAL A 31 -0.166 10.774 -3.325 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.859 11.857 -2.391 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -2.556 13.651 -4.024 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -0.915 13.081 -4.356 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -1.328 13.716 -2.761 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -2.984 10.019 -3.920 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -1.900 10.838 -5.051 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -3.501 11.509 -4.709 1.00 0.00 H +ATOM 550 N GLU A 32 -0.696 11.944 -0.292 1.00 0.00 N +ATOM 551 CA GLU A 32 -0.059 12.696 0.780 1.00 0.00 C +ATOM 552 C GLU A 32 1.218 12.003 1.262 1.00 0.00 C +ATOM 553 O GLU A 32 2.227 12.653 1.541 1.00 0.00 O +ATOM 554 CB GLU A 32 -1.020 12.937 1.950 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.598 11.675 2.524 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.450 11.882 3.732 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -3.596 12.336 3.596 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -2.000 11.539 4.853 1.00 0.00 O +ATOM 559 H GLU A 32 -1.559 11.498 -0.138 1.00 0.00 H +ATOM 560 HA GLU A 32 0.225 13.650 0.361 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.490 13.455 2.735 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.834 13.555 1.602 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -2.195 11.216 1.752 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.782 11.013 2.776 1.00 0.00 H +ATOM 565 N VAL A 33 1.179 10.679 1.318 1.00 0.00 N +ATOM 566 CA VAL A 33 2.288 9.914 1.828 1.00 0.00 C +ATOM 567 C VAL A 33 3.494 10.031 0.907 1.00 0.00 C +ATOM 568 O VAL A 33 4.590 9.997 1.357 1.00 0.00 O +ATOM 569 CB VAL A 33 1.941 8.429 2.165 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.118 7.475 0.986 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.707 7.967 3.392 1.00 0.00 C +ATOM 572 H VAL A 33 0.378 10.202 1.011 1.00 0.00 H +ATOM 573 HA VAL A 33 2.570 10.418 2.742 1.00 0.00 H +ATOM 574 HB VAL A 33 0.891 8.407 2.412 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.534 7.828 0.149 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.788 6.486 1.267 1.00 0.00 H +ATOM 577 HG13 VAL A 33 3.161 7.440 0.707 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.528 6.916 3.562 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.365 8.528 4.250 1.00 0.00 H +ATOM 580 HG23 VAL A 33 3.760 8.146 3.250 1.00 0.00 H +ATOM 581 N LEU A 34 3.250 10.210 -0.386 1.00 0.00 N +ATOM 582 CA LEU A 34 4.311 10.338 -1.396 1.00 0.00 C +ATOM 583 C LEU A 34 5.339 11.420 -1.086 1.00 0.00 C +ATOM 584 O LEU A 34 6.446 11.350 -1.598 1.00 0.00 O +ATOM 585 CB LEU A 34 3.752 10.547 -2.808 1.00 0.00 C +ATOM 586 CG LEU A 34 3.135 9.328 -3.494 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.578 9.719 -4.853 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.176 8.223 -3.652 1.00 0.00 C +ATOM 589 H LEU A 34 2.314 10.226 -0.680 1.00 0.00 H +ATOM 590 HA LEU A 34 4.855 9.406 -1.394 1.00 0.00 H +ATOM 591 HB2 LEU A 34 2.995 11.314 -2.752 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.555 10.913 -3.430 1.00 0.00 H +ATOM 593 HG LEU A 34 2.323 8.949 -2.890 1.00 0.00 H +ATOM 594 HD11 LEU A 34 3.378 10.101 -5.469 1.00 0.00 H +ATOM 595 HD12 LEU A 34 1.828 10.486 -4.726 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.138 8.855 -5.329 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.500 7.877 -2.681 1.00 0.00 H +ATOM 598 HD22 LEU A 34 5.026 8.615 -4.190 1.00 0.00 H +ATOM 599 HD23 LEU A 34 3.752 7.400 -4.208 1.00 0.00 H +ATOM 600 N GLU A 35 4.982 12.441 -0.297 1.00 0.00 N +ATOM 601 CA GLU A 35 5.974 13.468 0.045 1.00 0.00 C +ATOM 602 C GLU A 35 7.034 12.890 1.011 1.00 0.00 C +ATOM 603 O GLU A 35 8.174 13.362 1.064 1.00 0.00 O +ATOM 604 CB GLU A 35 5.325 14.715 0.657 1.00 0.00 C +ATOM 605 CG GLU A 35 4.654 14.480 1.993 1.00 0.00 C +ATOM 606 CD GLU A 35 4.166 15.745 2.622 1.00 0.00 C +ATOM 607 OE1 GLU A 35 4.955 16.414 3.318 1.00 0.00 O +ATOM 608 OE2 GLU A 35 2.980 16.102 2.450 1.00 0.00 O +ATOM 609 H GLU A 35 4.071 12.488 0.072 1.00 0.00 H +ATOM 610 HA GLU A 35 6.476 13.736 -0.873 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.083 15.472 0.788 1.00 0.00 H +ATOM 612 HB3 GLU A 35 4.583 15.090 -0.033 1.00 0.00 H +ATOM 613 HG2 GLU A 35 3.810 13.821 1.849 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.364 14.010 2.658 1.00 0.00 H +ATOM 615 N SER A 36 6.650 11.863 1.745 1.00 0.00 N +ATOM 616 CA SER A 36 7.511 11.208 2.693 1.00 0.00 C +ATOM 617 C SER A 36 6.940 9.826 3.034 1.00 0.00 C +ATOM 618 O SER A 36 6.304 9.659 4.053 1.00 0.00 O +ATOM 619 CB SER A 36 7.660 12.079 3.959 1.00 0.00 C +ATOM 620 OG SER A 36 6.379 12.417 4.499 1.00 0.00 O +ATOM 621 H SER A 36 5.744 11.496 1.635 1.00 0.00 H +ATOM 622 HA SER A 36 8.482 11.073 2.242 1.00 0.00 H +ATOM 623 HB2 SER A 36 8.220 11.536 4.706 1.00 0.00 H +ATOM 624 HB3 SER A 36 8.180 12.991 3.708 1.00 0.00 H +ATOM 625 HG SER A 36 5.898 11.582 4.571 1.00 0.00 H +ATOM 626 N PRO A 37 7.080 8.827 2.137 1.00 0.00 N +ATOM 627 CA PRO A 37 6.506 7.494 2.369 1.00 0.00 C +ATOM 628 C PRO A 37 7.367 6.653 3.288 1.00 0.00 C +ATOM 629 O PRO A 37 6.989 5.570 3.702 1.00 0.00 O +ATOM 630 CB PRO A 37 6.432 6.889 0.972 1.00 0.00 C +ATOM 631 CG PRO A 37 7.543 7.536 0.225 1.00 0.00 C +ATOM 632 CD PRO A 37 7.721 8.921 0.810 1.00 0.00 C +ATOM 633 HA PRO A 37 5.517 7.558 2.794 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.558 5.819 1.036 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.474 7.118 0.530 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.450 6.961 0.347 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.284 7.607 -0.821 1.00 0.00 H +ATOM 638 HD2 PRO A 37 8.769 9.167 0.902 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.217 9.653 0.196 1.00 0.00 H +ATOM 640 N ARG A 38 8.502 7.187 3.638 1.00 0.00 N +ATOM 641 CA ARG A 38 9.428 6.515 4.500 1.00 0.00 C +ATOM 642 C ARG A 38 9.191 6.874 5.976 1.00 0.00 C +ATOM 643 O ARG A 38 10.116 7.008 6.765 1.00 0.00 O +ATOM 644 CB ARG A 38 10.884 6.719 4.000 1.00 0.00 C +ATOM 645 CG ARG A 38 11.314 8.158 3.659 1.00 0.00 C +ATOM 646 CD ARG A 38 11.568 9.012 4.887 1.00 0.00 C +ATOM 647 NE ARG A 38 12.631 8.456 5.737 1.00 0.00 N +ATOM 648 CZ ARG A 38 12.919 8.884 6.973 1.00 0.00 C +ATOM 649 NH1 ARG A 38 12.270 9.926 7.492 1.00 0.00 N +ATOM 650 NH2 ARG A 38 13.879 8.296 7.673 1.00 0.00 N +ATOM 651 H ARG A 38 8.694 8.083 3.295 1.00 0.00 H +ATOM 652 HA ARG A 38 9.185 5.466 4.409 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.544 6.366 4.777 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.031 6.104 3.125 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.213 8.128 3.064 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.530 8.613 3.071 1.00 0.00 H +ATOM 657 HD2 ARG A 38 11.868 9.995 4.555 1.00 0.00 H +ATOM 658 HD3 ARG A 38 10.656 9.085 5.462 1.00 0.00 H +ATOM 659 HE ARG A 38 13.134 7.703 5.347 1.00 0.00 H +ATOM 660 HH11 ARG A 38 11.558 10.421 6.987 1.00 0.00 H +ATOM 661 HH12 ARG A 38 12.475 10.255 8.420 1.00 0.00 H +ATOM 662 HH21 ARG A 38 14.418 7.525 7.321 1.00 0.00 H +ATOM 663 HH22 ARG A 38 14.103 8.614 8.598 1.00 0.00 H +ATOM 664 N ILE A 39 7.925 6.945 6.345 1.00 0.00 N +ATOM 665 CA ILE A 39 7.536 7.243 7.705 1.00 0.00 C +ATOM 666 C ILE A 39 7.604 5.955 8.510 1.00 0.00 C +ATOM 667 O ILE A 39 6.661 5.145 8.520 1.00 0.00 O +ATOM 668 CB ILE A 39 6.107 7.885 7.776 1.00 0.00 C +ATOM 669 CG1 ILE A 39 6.118 9.231 7.043 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.642 8.071 9.225 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.769 9.920 6.944 1.00 0.00 C +ATOM 672 H ILE A 39 7.236 6.750 5.673 1.00 0.00 H +ATOM 673 HA ILE A 39 8.263 7.935 8.107 1.00 0.00 H +ATOM 674 HB ILE A 39 5.412 7.226 7.278 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.786 9.902 7.561 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.489 9.077 6.039 1.00 0.00 H +ATOM 677 HG21 ILE A 39 4.639 8.470 9.233 1.00 0.00 H +ATOM 678 HG22 ILE A 39 6.299 8.770 9.719 1.00 0.00 H +ATOM 679 HG23 ILE A 39 5.662 7.120 9.738 1.00 0.00 H +ATOM 680 HD11 ILE A 39 4.395 10.146 7.932 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.074 9.275 6.428 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.892 10.835 6.381 1.00 0.00 H +ATOM 683 N GLU A 40 8.759 5.762 9.141 1.00 0.00 N +ATOM 684 CA GLU A 40 9.111 4.563 9.900 1.00 0.00 C +ATOM 685 C GLU A 40 8.111 4.211 11.010 1.00 0.00 C +ATOM 686 O GLU A 40 8.054 3.071 11.462 1.00 0.00 O +ATOM 687 CB GLU A 40 10.555 4.661 10.422 1.00 0.00 C +ATOM 688 CG GLU A 40 10.863 5.931 11.201 1.00 0.00 C +ATOM 689 CD GLU A 40 12.312 6.027 11.614 1.00 0.00 C +ATOM 690 OE1 GLU A 40 13.147 6.506 10.808 1.00 0.00 O +ATOM 691 OE2 GLU A 40 12.641 5.653 12.756 1.00 0.00 O +ATOM 692 H GLU A 40 9.430 6.474 9.068 1.00 0.00 H +ATOM 693 HA GLU A 40 9.082 3.760 9.180 1.00 0.00 H +ATOM 694 HB2 GLU A 40 10.749 3.816 11.066 1.00 0.00 H +ATOM 695 HB3 GLU A 40 11.228 4.613 9.578 1.00 0.00 H +ATOM 696 HG2 GLU A 40 10.628 6.785 10.585 1.00 0.00 H +ATOM 697 HG3 GLU A 40 10.249 5.952 12.090 1.00 0.00 H +ATOM 698 N ALA A 41 7.305 5.174 11.407 1.00 0.00 N +ATOM 699 CA ALA A 41 6.254 4.953 12.387 1.00 0.00 C +ATOM 700 C ALA A 41 5.189 3.989 11.843 1.00 0.00 C +ATOM 701 O ALA A 41 4.625 3.185 12.584 1.00 0.00 O +ATOM 702 CB ALA A 41 5.606 6.277 12.757 1.00 0.00 C +ATOM 703 H ALA A 41 7.454 6.072 11.040 1.00 0.00 H +ATOM 704 HA ALA A 41 6.697 4.529 13.276 1.00 0.00 H +ATOM 705 HB1 ALA A 41 6.362 6.957 13.121 1.00 0.00 H +ATOM 706 HB2 ALA A 41 4.863 6.116 13.524 1.00 0.00 H +ATOM 707 HB3 ALA A 41 5.131 6.702 11.885 1.00 0.00 H +ATOM 708 N ASN A 42 4.961 4.038 10.543 1.00 0.00 N +ATOM 709 CA ASN A 42 3.924 3.216 9.898 1.00 0.00 C +ATOM 710 C ASN A 42 4.540 2.011 9.230 1.00 0.00 C +ATOM 711 O ASN A 42 3.871 1.288 8.484 1.00 0.00 O +ATOM 712 CB ASN A 42 3.158 4.023 8.835 1.00 0.00 C +ATOM 713 CG ASN A 42 2.353 5.175 9.394 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.866 5.130 10.531 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.202 6.215 8.604 1.00 0.00 N +ATOM 716 H ASN A 42 5.516 4.621 9.977 1.00 0.00 H +ATOM 717 HA ASN A 42 3.227 2.889 10.654 1.00 0.00 H +ATOM 718 HB2 ASN A 42 3.868 4.429 8.128 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.489 3.357 8.309 1.00 0.00 H +ATOM 720 HD21 ASN A 42 2.607 6.193 7.712 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.687 6.984 8.932 1.00 0.00 H +ATOM 722 N LYS A 43 5.801 1.796 9.489 1.00 0.00 N +ATOM 723 CA LYS A 43 6.532 0.755 8.901 1.00 0.00 C +ATOM 724 C LYS A 43 6.262 -0.547 9.623 1.00 0.00 C +ATOM 725 O LYS A 43 6.056 -0.563 10.840 1.00 0.00 O +ATOM 726 CB LYS A 43 7.985 1.134 8.985 1.00 0.00 C +ATOM 727 CG LYS A 43 8.841 0.442 8.010 1.00 0.00 C +ATOM 728 CD LYS A 43 10.198 1.105 7.929 1.00 0.00 C +ATOM 729 CE LYS A 43 10.950 0.638 6.712 1.00 0.00 C +ATOM 730 NZ LYS A 43 12.132 1.468 6.438 1.00 0.00 N +ATOM 731 H LYS A 43 6.318 2.350 10.104 1.00 0.00 H +ATOM 732 HA LYS A 43 6.264 0.672 7.859 1.00 0.00 H +ATOM 733 HB2 LYS A 43 8.051 2.193 8.793 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.350 0.931 9.982 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.910 -0.590 8.315 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.315 0.546 7.075 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.067 2.176 7.867 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.765 0.857 8.813 1.00 0.00 H +ATOM 739 HE2 LYS A 43 11.254 -0.390 6.842 1.00 0.00 H +ATOM 740 HE3 LYS A 43 10.274 0.711 5.872 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 12.575 1.157 5.544 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 12.836 1.409 7.200 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 11.864 2.467 6.318 1.00 0.00 H +ATOM 744 N LEU A 44 6.232 -1.612 8.875 1.00 0.00 N +ATOM 745 CA LEU A 44 5.995 -2.920 9.412 1.00 0.00 C +ATOM 746 C LEU A 44 7.268 -3.455 10.029 1.00 0.00 C +ATOM 747 O LEU A 44 8.368 -3.089 9.600 1.00 0.00 O +ATOM 748 CB LEU A 44 5.459 -3.842 8.331 1.00 0.00 C +ATOM 749 CG LEU A 44 4.123 -3.420 7.723 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.663 -4.403 6.682 1.00 0.00 C +ATOM 751 CD2 LEU A 44 3.077 -3.280 8.792 1.00 0.00 C +ATOM 752 H LEU A 44 6.392 -1.511 7.908 1.00 0.00 H +ATOM 753 HA LEU A 44 5.250 -2.818 10.187 1.00 0.00 H +ATOM 754 HB2 LEU A 44 6.187 -3.858 7.535 1.00 0.00 H +ATOM 755 HB3 LEU A 44 5.351 -4.836 8.737 1.00 0.00 H +ATOM 756 HG LEU A 44 4.242 -2.458 7.245 1.00 0.00 H +ATOM 757 HD11 LEU A 44 4.384 -4.463 5.881 1.00 0.00 H +ATOM 758 HD12 LEU A 44 2.711 -4.062 6.302 1.00 0.00 H +ATOM 759 HD13 LEU A 44 3.535 -5.369 7.143 1.00 0.00 H +ATOM 760 HD21 LEU A 44 3.372 -2.515 9.493 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.956 -4.224 9.304 1.00 0.00 H +ATOM 762 HD23 LEU A 44 2.151 -2.994 8.319 1.00 0.00 H +ATOM 763 N ARG A 45 7.115 -4.321 11.007 1.00 0.00 N +ATOM 764 CA ARG A 45 8.216 -4.798 11.830 1.00 0.00 C +ATOM 765 C ARG A 45 9.272 -5.579 11.027 1.00 0.00 C +ATOM 766 O ARG A 45 10.348 -5.053 10.732 1.00 0.00 O +ATOM 767 CB ARG A 45 7.670 -5.651 12.980 1.00 0.00 C +ATOM 768 CG ARG A 45 8.648 -5.891 14.115 1.00 0.00 C +ATOM 769 CD ARG A 45 9.006 -4.584 14.795 1.00 0.00 C +ATOM 770 NE ARG A 45 9.827 -4.765 15.993 1.00 0.00 N +ATOM 771 CZ ARG A 45 10.038 -3.813 16.918 1.00 0.00 C +ATOM 772 NH1 ARG A 45 9.388 -2.652 16.841 1.00 0.00 N +ATOM 773 NH2 ARG A 45 10.863 -4.040 17.936 1.00 0.00 N +ATOM 774 H ARG A 45 6.209 -4.651 11.191 1.00 0.00 H +ATOM 775 HA ARG A 45 8.686 -3.926 12.259 1.00 0.00 H +ATOM 776 HB2 ARG A 45 6.792 -5.169 13.384 1.00 0.00 H +ATOM 777 HB3 ARG A 45 7.383 -6.609 12.573 1.00 0.00 H +ATOM 778 HG2 ARG A 45 8.188 -6.548 14.838 1.00 0.00 H +ATOM 779 HG3 ARG A 45 9.546 -6.343 13.721 1.00 0.00 H +ATOM 780 HD2 ARG A 45 9.565 -3.975 14.101 1.00 0.00 H +ATOM 781 HD3 ARG A 45 8.098 -4.070 15.065 1.00 0.00 H +ATOM 782 HE ARG A 45 10.249 -5.653 16.067 1.00 0.00 H +ATOM 783 HH11 ARG A 45 8.732 -2.465 16.103 1.00 0.00 H +ATOM 784 HH12 ARG A 45 9.528 -1.905 17.499 1.00 0.00 H +ATOM 785 HH21 ARG A 45 11.349 -4.913 18.045 1.00 0.00 H +ATOM 786 HH22 ARG A 45 11.044 -3.348 18.637 1.00 0.00 H +ATOM 787 N GLY A 46 8.955 -6.800 10.642 1.00 0.00 N +ATOM 788 CA GLY A 46 9.921 -7.630 9.949 1.00 0.00 C +ATOM 789 C GLY A 46 9.642 -7.702 8.475 1.00 0.00 C +ATOM 790 O GLY A 46 9.705 -8.770 7.872 1.00 0.00 O +ATOM 791 H GLY A 46 8.056 -7.161 10.800 1.00 0.00 H +ATOM 792 HA2 GLY A 46 10.908 -7.219 10.102 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.887 -8.628 10.363 1.00 0.00 H +ATOM 794 N MET A 47 9.326 -6.578 7.895 1.00 0.00 N +ATOM 795 CA MET A 47 8.991 -6.518 6.491 1.00 0.00 C +ATOM 796 C MET A 47 9.901 -5.508 5.812 1.00 0.00 C +ATOM 797 O MET A 47 9.967 -4.351 6.252 1.00 0.00 O +ATOM 798 CB MET A 47 7.534 -6.099 6.320 1.00 0.00 C +ATOM 799 CG MET A 47 6.515 -7.033 6.969 1.00 0.00 C +ATOM 800 SD MET A 47 6.367 -8.639 6.152 1.00 0.00 S +ATOM 801 CE MET A 47 5.602 -8.152 4.603 1.00 0.00 C +ATOM 802 H MET A 47 9.353 -5.745 8.412 1.00 0.00 H +ATOM 803 HA MET A 47 9.135 -7.499 6.068 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.435 -5.117 6.756 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.315 -6.032 5.264 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.807 -7.200 7.995 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.554 -6.542 6.944 1.00 0.00 H +ATOM 808 HE1 MET A 47 4.650 -7.687 4.809 1.00 0.00 H +ATOM 809 HE2 MET A 47 5.442 -9.029 3.994 1.00 0.00 H +ATOM 810 HE3 MET A 47 6.241 -7.457 4.079 1.00 0.00 H +ATOM 811 N PRO A 48 10.617 -5.924 4.750 1.00 0.00 N +ATOM 812 CA PRO A 48 11.565 -5.062 4.034 1.00 0.00 C +ATOM 813 C PRO A 48 10.902 -3.816 3.439 1.00 0.00 C +ATOM 814 O PRO A 48 10.205 -3.887 2.400 1.00 0.00 O +ATOM 815 CB PRO A 48 12.139 -5.962 2.928 1.00 0.00 C +ATOM 816 CG PRO A 48 11.164 -7.083 2.798 1.00 0.00 C +ATOM 817 CD PRO A 48 10.560 -7.271 4.159 1.00 0.00 C +ATOM 818 HA PRO A 48 12.361 -4.747 4.693 1.00 0.00 H +ATOM 819 HB2 PRO A 48 12.224 -5.398 2.010 1.00 0.00 H +ATOM 820 HB3 PRO A 48 13.115 -6.319 3.225 1.00 0.00 H +ATOM 821 HG2 PRO A 48 10.398 -6.818 2.084 1.00 0.00 H +ATOM 822 HG3 PRO A 48 11.674 -7.982 2.483 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.535 -7.604 4.075 1.00 0.00 H +ATOM 824 HD3 PRO A 48 11.144 -7.971 4.738 1.00 0.00 H +ATOM 825 N ASP A 49 11.052 -2.709 4.168 1.00 0.00 N +ATOM 826 CA ASP A 49 10.544 -1.382 3.793 1.00 0.00 C +ATOM 827 C ASP A 49 9.070 -1.377 3.454 1.00 0.00 C +ATOM 828 O ASP A 49 8.627 -0.659 2.552 1.00 0.00 O +ATOM 829 CB ASP A 49 11.380 -0.716 2.688 1.00 0.00 C +ATOM 830 CG ASP A 49 12.713 -0.215 3.186 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.756 0.816 3.905 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.747 -0.825 2.877 1.00 0.00 O +ATOM 833 H ASP A 49 11.527 -2.809 5.022 1.00 0.00 H +ATOM 834 HA ASP A 49 10.651 -0.791 4.689 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.559 -1.430 1.899 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.829 0.121 2.285 1.00 0.00 H +ATOM 837 N CYS A 50 8.299 -2.132 4.203 1.00 0.00 N +ATOM 838 CA CYS A 50 6.883 -2.170 3.977 1.00 0.00 C +ATOM 839 C CYS A 50 6.196 -1.272 4.994 1.00 0.00 C +ATOM 840 O CYS A 50 6.603 -1.217 6.159 1.00 0.00 O +ATOM 841 CB CYS A 50 6.376 -3.600 4.092 1.00 0.00 C +ATOM 842 SG CYS A 50 7.253 -4.782 3.034 1.00 0.00 S +ATOM 843 H CYS A 50 8.684 -2.667 4.929 1.00 0.00 H +ATOM 844 HA CYS A 50 6.683 -1.798 2.986 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.486 -3.929 5.116 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.331 -3.627 3.822 1.00 0.00 H +ATOM 847 HG CYS A 50 8.392 -4.220 2.645 1.00 0.00 H +ATOM 848 N TYR A 51 5.180 -0.582 4.556 1.00 0.00 N +ATOM 849 CA TYR A 51 4.450 0.357 5.368 1.00 0.00 C +ATOM 850 C TYR A 51 2.974 0.090 5.209 1.00 0.00 C +ATOM 851 O TYR A 51 2.542 -0.505 4.209 1.00 0.00 O +ATOM 852 CB TYR A 51 4.743 1.815 4.941 1.00 0.00 C +ATOM 853 CG TYR A 51 6.195 2.249 5.038 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.127 1.853 4.097 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.624 3.060 6.069 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.440 2.243 4.188 1.00 0.00 C +ATOM 857 CE2 TYR A 51 7.943 3.456 6.157 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.842 3.041 5.212 1.00 0.00 C +ATOM 859 OH TYR A 51 10.171 3.418 5.310 1.00 0.00 O +ATOM 860 H TYR A 51 4.869 -0.709 3.631 1.00 0.00 H +ATOM 861 HA TYR A 51 4.735 0.225 6.401 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.432 1.953 3.917 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.161 2.468 5.576 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.809 1.218 3.284 1.00 0.00 H +ATOM 865 HD2 TYR A 51 5.914 3.385 6.813 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.152 1.921 3.446 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.259 4.092 6.971 1.00 0.00 H +ATOM 868 HH TYR A 51 10.517 3.640 4.435 1.00 0.00 H +ATOM 869 N LYS A 52 2.216 0.513 6.164 1.00 0.00 N +ATOM 870 CA LYS A 52 0.794 0.329 6.159 1.00 0.00 C +ATOM 871 C LYS A 52 0.101 1.662 6.375 1.00 0.00 C +ATOM 872 O LYS A 52 0.605 2.530 7.099 1.00 0.00 O +ATOM 873 CB LYS A 52 0.396 -0.638 7.282 1.00 0.00 C +ATOM 874 CG LYS A 52 0.895 -0.169 8.636 1.00 0.00 C +ATOM 875 CD LYS A 52 0.513 -1.071 9.779 1.00 0.00 C +ATOM 876 CE LYS A 52 1.247 -0.620 11.019 1.00 0.00 C +ATOM 877 NZ LYS A 52 0.851 -1.353 12.225 1.00 0.00 N +ATOM 878 H LYS A 52 2.621 0.985 6.925 1.00 0.00 H +ATOM 879 HA LYS A 52 0.494 -0.096 5.213 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.682 -0.716 7.316 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.820 -1.609 7.079 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.971 -0.082 8.607 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.468 0.809 8.808 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -0.552 -1.005 9.949 1.00 0.00 H +ATOM 885 HD3 LYS A 52 0.787 -2.090 9.555 1.00 0.00 H +ATOM 886 HE2 LYS A 52 2.301 -0.781 10.852 1.00 0.00 H +ATOM 887 HE3 LYS A 52 1.069 0.435 11.144 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 1.118 -2.356 12.176 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 -0.178 -1.299 12.361 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 1.290 -0.932 13.069 1.00 0.00 H +ATOM 891 N ILE A 53 -1.010 1.833 5.735 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.848 2.978 5.957 1.00 0.00 C +ATOM 893 C ILE A 53 -3.235 2.478 6.254 1.00 0.00 C +ATOM 894 O ILE A 53 -3.752 1.615 5.530 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.909 3.958 4.732 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.537 4.589 4.450 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -2.960 5.056 4.959 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.530 5.542 3.269 1.00 0.00 C +ATOM 899 H ILE A 53 -1.299 1.156 5.079 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.461 3.502 6.818 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.217 3.385 3.870 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.236 5.159 5.316 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.187 3.810 4.262 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -2.988 5.708 4.099 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.700 5.631 5.836 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.930 4.603 5.101 1.00 0.00 H +ATOM 907 HD11 ILE A 53 -0.853 5.015 2.384 1.00 0.00 H +ATOM 908 HD12 ILE A 53 0.467 5.928 3.121 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -1.205 6.361 3.464 1.00 0.00 H +ATOM 910 N LYS A 54 -3.821 2.942 7.316 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.180 2.588 7.572 1.00 0.00 C +ATOM 912 C LYS A 54 -6.053 3.782 7.281 1.00 0.00 C +ATOM 913 O LYS A 54 -5.663 4.933 7.554 1.00 0.00 O +ATOM 914 CB LYS A 54 -5.454 1.986 8.983 1.00 0.00 C +ATOM 915 CG LYS A 54 -5.506 2.960 10.143 1.00 0.00 C +ATOM 916 CD LYS A 54 -4.178 3.595 10.436 1.00 0.00 C +ATOM 917 CE LYS A 54 -4.331 4.645 11.487 1.00 0.00 C +ATOM 918 NZ LYS A 54 -4.847 4.090 12.754 1.00 0.00 N +ATOM 919 H LYS A 54 -3.327 3.561 7.896 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.399 1.849 6.824 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -6.409 1.481 8.952 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.688 1.253 9.188 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -6.213 3.740 9.907 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -5.844 2.428 11.020 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -3.475 2.847 10.771 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -3.821 4.065 9.534 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -3.379 5.131 11.634 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -5.050 5.336 11.073 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -4.219 3.350 13.128 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -5.787 3.663 12.633 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -4.935 4.821 13.487 1.00 0.00 H +ATOM 932 N LEU A 55 -7.174 3.539 6.694 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.092 4.584 6.352 1.00 0.00 C +ATOM 934 C LEU A 55 -8.800 4.967 7.644 1.00 0.00 C +ATOM 935 O LEU A 55 -9.074 4.097 8.459 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.105 4.027 5.333 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.669 4.984 4.266 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -10.668 4.258 3.395 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -10.309 6.206 4.871 1.00 0.00 C +ATOM 940 H LEU A 55 -7.427 2.608 6.493 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.562 5.425 5.933 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.633 3.204 4.818 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.936 3.626 5.894 1.00 0.00 H +ATOM 944 HG LEU A 55 -8.857 5.298 3.625 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -10.181 3.423 2.912 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -11.053 4.932 2.644 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -11.481 3.893 4.003 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.112 5.898 5.524 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -10.703 6.835 4.086 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -9.575 6.753 5.443 1.00 0.00 H +ATOM 951 N ARG A 56 -9.021 6.249 7.869 1.00 0.00 N +ATOM 952 CA ARG A 56 -9.744 6.676 9.053 1.00 0.00 C +ATOM 953 C ARG A 56 -11.187 6.189 8.969 1.00 0.00 C +ATOM 954 O ARG A 56 -11.714 5.596 9.905 1.00 0.00 O +ATOM 955 CB ARG A 56 -9.694 8.196 9.200 1.00 0.00 C +ATOM 956 CG ARG A 56 -10.480 8.728 10.382 1.00 0.00 C +ATOM 957 CD ARG A 56 -10.381 10.233 10.468 1.00 0.00 C +ATOM 958 NE ARG A 56 -11.230 10.776 11.533 1.00 0.00 N +ATOM 959 CZ ARG A 56 -11.078 11.981 12.095 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -9.986 12.704 11.852 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -11.984 12.430 12.943 1.00 0.00 N +ATOM 962 H ARG A 56 -8.684 6.924 7.241 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.273 6.215 9.909 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -8.664 8.504 9.311 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -10.093 8.643 8.302 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -11.517 8.448 10.270 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -10.085 8.296 11.290 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -9.353 10.501 10.661 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -10.689 10.655 9.523 1.00 0.00 H +ATOM 970 HE ARG A 56 -11.988 10.197 11.784 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -9.246 12.390 11.249 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -9.833 13.609 12.257 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -12.797 11.893 13.181 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -11.918 13.335 13.372 1.00 0.00 H +ATOM 975 N SER A 57 -11.801 6.427 7.842 1.00 0.00 N +ATOM 976 CA SER A 57 -13.144 6.002 7.595 1.00 0.00 C +ATOM 977 C SER A 57 -13.152 4.481 7.327 1.00 0.00 C +ATOM 978 O SER A 57 -12.433 4.001 6.440 1.00 0.00 O +ATOM 979 CB SER A 57 -13.665 6.775 6.387 1.00 0.00 C +ATOM 980 OG SER A 57 -13.361 8.168 6.533 1.00 0.00 O +ATOM 981 H SER A 57 -11.344 6.908 7.125 1.00 0.00 H +ATOM 982 HA SER A 57 -13.755 6.229 8.456 1.00 0.00 H +ATOM 983 HB2 SER A 57 -13.200 6.403 5.485 1.00 0.00 H +ATOM 984 HB3 SER A 57 -14.736 6.661 6.315 1.00 0.00 H +ATOM 985 HG SER A 57 -13.759 8.472 7.356 1.00 0.00 H +ATOM 986 N SER A 58 -13.945 3.743 8.120 1.00 0.00 N +ATOM 987 CA SER A 58 -14.067 2.290 8.029 1.00 0.00 C +ATOM 988 C SER A 58 -12.768 1.577 8.496 1.00 0.00 C +ATOM 989 O SER A 58 -11.853 2.221 9.023 1.00 0.00 O +ATOM 990 CB SER A 58 -14.496 1.885 6.613 1.00 0.00 C +ATOM 991 OG SER A 58 -15.724 2.528 6.264 1.00 0.00 O +ATOM 992 H SER A 58 -14.468 4.203 8.810 1.00 0.00 H +ATOM 993 HA SER A 58 -14.843 2.006 8.725 1.00 0.00 H +ATOM 994 HB2 SER A 58 -13.734 2.199 5.915 1.00 0.00 H +ATOM 995 HB3 SER A 58 -14.629 0.816 6.563 1.00 0.00 H +ATOM 996 HG SER A 58 -15.790 3.326 6.806 1.00 0.00 H +ATOM 997 N GLY A 59 -12.701 0.267 8.343 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.544 -0.468 8.799 1.00 0.00 C +ATOM 999 C GLY A 59 -10.706 -0.988 7.659 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.237 -2.132 7.693 1.00 0.00 O +ATOM 1001 H GLY A 59 -13.432 -0.232 7.918 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.937 0.188 9.405 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -11.871 -1.302 9.401 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.515 -0.164 6.658 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.735 -0.542 5.496 1.00 0.00 C +ATOM 1006 C TYR A 60 -8.279 -0.166 5.668 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.955 0.919 6.161 1.00 0.00 O +ATOM 1008 CB TYR A 60 -10.309 0.050 4.211 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.604 -0.600 3.765 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.822 -0.214 4.296 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.600 -1.602 2.802 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -14.000 -0.803 3.885 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.773 -2.195 2.385 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.969 -1.791 2.929 1.00 0.00 C +ATOM 1015 OH TYR A 60 -15.138 -2.383 2.516 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.882 0.741 6.719 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.786 -1.619 5.430 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.501 1.101 4.364 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.586 -0.064 3.418 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.839 0.560 5.047 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.659 -1.916 2.375 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.940 -0.486 4.311 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.748 -2.973 1.637 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.790 -1.687 2.359 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.411 -1.073 5.283 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.984 -0.917 5.445 1.00 0.00 C +ATOM 1027 C ARG A 61 -5.275 -1.303 4.158 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.675 -2.255 3.476 1.00 0.00 O +ATOM 1029 CB ARG A 61 -5.513 -1.800 6.601 1.00 0.00 C +ATOM 1030 CG ARG A 61 -6.221 -1.474 7.902 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.032 -2.536 8.940 1.00 0.00 C +ATOM 1032 NE ARG A 61 -4.654 -2.629 9.454 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -4.324 -2.711 10.762 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -5.257 -2.586 11.697 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -3.052 -2.884 11.113 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.745 -1.888 4.844 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.772 0.113 5.682 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.706 -2.833 6.350 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -4.452 -1.661 6.744 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -5.826 -0.546 8.288 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -7.276 -1.357 7.700 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -6.732 -2.364 9.740 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.284 -3.458 8.437 1.00 0.00 H +ATOM 1044 HE ARG A 61 -3.933 -2.668 8.784 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -6.227 -2.425 11.488 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -5.030 -2.648 12.674 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -2.322 -2.952 10.424 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -2.762 -2.963 12.073 1.00 0.00 H +ATOM 1049 N LEU A 62 -4.248 -0.574 3.839 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.480 -0.778 2.633 1.00 0.00 C +ATOM 1051 C LEU A 62 -2.016 -0.995 3.022 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.510 -0.321 3.928 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.681 0.465 1.717 1.00 0.00 C +ATOM 1054 CG LEU A 62 -3.042 0.476 0.309 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.710 1.534 -0.547 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.561 0.788 0.380 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.969 0.157 4.436 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.853 -1.659 2.133 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.743 0.610 1.592 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.304 1.321 2.257 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.173 -0.488 -0.160 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.582 2.506 -0.096 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -4.763 1.309 -0.631 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.264 1.530 -1.531 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.432 1.739 0.876 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.155 0.844 -0.619 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.053 0.015 0.938 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.357 -1.945 2.375 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.041 -2.252 2.662 1.00 0.00 C +ATOM 1070 C VAL A 63 0.871 -2.137 1.386 1.00 0.00 C +ATOM 1071 O VAL A 63 0.518 -2.714 0.337 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.210 -3.677 3.266 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.671 -3.966 3.613 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.659 -3.842 4.498 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.800 -2.461 1.662 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.400 -1.523 3.374 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.106 -4.398 2.527 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.016 -3.243 4.340 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.278 -3.898 2.722 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 1.760 -4.958 4.029 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.532 -4.834 4.904 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -1.693 -3.687 4.234 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -0.361 -3.111 5.237 1.00 0.00 H +ATOM 1084 N TYR A 64 1.954 -1.407 1.470 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.825 -1.175 0.341 1.00 0.00 C +ATOM 1086 C TYR A 64 4.265 -1.253 0.772 1.00 0.00 C +ATOM 1087 O TYR A 64 4.558 -1.136 1.951 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.545 0.193 -0.317 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.696 1.415 0.586 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 3.947 1.900 0.962 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.587 2.087 1.036 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.069 3.011 1.761 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.699 3.196 1.831 1.00 0.00 C +ATOM 1094 CZ TYR A 64 2.942 3.657 2.193 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.053 4.764 2.995 1.00 0.00 O +ATOM 1096 H TYR A 64 2.208 -1.020 2.341 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.638 -1.953 -0.384 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.219 0.324 -1.150 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.533 0.186 -0.693 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.833 1.386 0.617 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.612 1.724 0.752 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.049 3.371 2.041 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.804 3.700 2.159 1.00 0.00 H +ATOM 1104 HH TYR A 64 2.430 4.681 3.722 1.00 0.00 H +ATOM 1105 N GLN A 65 5.147 -1.479 -0.150 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.548 -1.448 0.157 1.00 0.00 C +ATOM 1107 C GLN A 65 7.215 -0.385 -0.673 1.00 0.00 C +ATOM 1108 O GLN A 65 6.889 -0.212 -1.861 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.226 -2.812 -0.021 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.236 -3.364 -1.444 1.00 0.00 C +ATOM 1111 CD GLN A 65 7.979 -4.691 -1.562 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.651 -5.524 -2.404 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 8.993 -4.896 -0.735 1.00 0.00 N +ATOM 1114 H GLN A 65 4.854 -1.644 -1.075 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.634 -1.138 1.187 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.248 -2.733 0.314 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.708 -3.518 0.610 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.217 -3.516 -1.768 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.711 -2.645 -2.095 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.240 -4.208 -0.082 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.460 -5.757 -0.809 1.00 0.00 H +ATOM 1122 N VAL A 66 8.101 0.355 -0.071 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.780 1.382 -0.793 1.00 0.00 C +ATOM 1124 C VAL A 66 10.103 0.840 -1.279 1.00 0.00 C +ATOM 1125 O VAL A 66 10.919 0.319 -0.505 1.00 0.00 O +ATOM 1126 CB VAL A 66 8.964 2.724 0.018 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 7.647 3.200 0.600 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 10.022 2.630 1.103 1.00 0.00 C +ATOM 1129 H VAL A 66 8.329 0.176 0.870 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.180 1.580 -1.669 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.269 3.474 -0.698 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 6.932 3.380 -0.187 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 7.812 4.112 1.155 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 7.262 2.445 1.269 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 10.994 2.507 0.650 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 9.813 1.750 1.689 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 10.006 3.512 1.725 1.00 0.00 H +ATOM 1138 N ILE A 67 10.290 0.863 -2.547 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.510 0.415 -3.094 1.00 0.00 C +ATOM 1140 C ILE A 67 12.338 1.640 -3.375 1.00 0.00 C +ATOM 1141 O ILE A 67 12.173 2.282 -4.408 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.307 -0.385 -4.401 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.215 -1.444 -4.219 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.619 -1.056 -4.791 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.857 -2.173 -5.492 1.00 0.00 C +ATOM 1146 H ILE A 67 9.593 1.203 -3.154 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.008 -0.205 -2.362 1.00 0.00 H +ATOM 1148 HB ILE A 67 11.016 0.300 -5.183 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.555 -2.177 -3.503 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.321 -0.966 -3.845 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 12.480 -1.619 -5.702 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 12.932 -1.722 -4.002 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.370 -0.298 -4.946 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 10.732 -2.680 -5.868 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.526 -1.450 -6.226 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 9.072 -2.888 -5.300 1.00 0.00 H +ATOM 1157 N ASP A 68 13.198 1.979 -2.446 1.00 0.00 N +ATOM 1158 CA ASP A 68 14.049 3.171 -2.543 1.00 0.00 C +ATOM 1159 C ASP A 68 15.057 2.969 -3.653 1.00 0.00 C +ATOM 1160 O ASP A 68 15.461 3.906 -4.335 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.756 3.418 -1.205 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.489 4.743 -1.140 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 16.684 4.806 -1.488 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 14.892 5.739 -0.688 1.00 0.00 O +ATOM 1165 H ASP A 68 13.259 1.411 -1.647 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.429 4.020 -2.790 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 14.024 3.405 -0.411 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.470 2.624 -1.039 1.00 0.00 H +ATOM 1169 N GLU A 69 15.382 1.701 -3.868 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.294 1.253 -4.917 1.00 0.00 C +ATOM 1171 C GLU A 69 15.775 1.701 -6.288 1.00 0.00 C +ATOM 1172 O GLU A 69 16.535 2.089 -7.166 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.337 -0.276 -4.920 1.00 0.00 C +ATOM 1174 CG GLU A 69 16.579 -0.914 -3.563 1.00 0.00 C +ATOM 1175 CD GLU A 69 16.468 -2.410 -3.623 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 15.336 -2.927 -3.715 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 17.495 -3.101 -3.605 1.00 0.00 O +ATOM 1178 H GLU A 69 14.994 1.037 -3.261 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.286 1.635 -4.734 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.397 -0.646 -5.299 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.123 -0.595 -5.588 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 17.573 -0.663 -3.226 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 15.852 -0.541 -2.858 1.00 0.00 H +ATOM 1184 N LYS A 70 14.466 1.635 -6.452 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.831 1.957 -7.713 1.00 0.00 C +ATOM 1186 C LYS A 70 13.078 3.292 -7.642 1.00 0.00 C +ATOM 1187 O LYS A 70 12.543 3.763 -8.647 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.871 0.839 -8.108 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.516 -0.519 -8.323 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.456 -1.570 -8.618 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.055 -2.954 -8.774 1.00 0.00 C +ATOM 1192 NZ LYS A 70 12.017 -3.974 -9.034 1.00 0.00 N +ATOM 1193 H LYS A 70 13.908 1.371 -5.691 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.602 2.021 -8.464 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.164 0.718 -7.300 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.347 1.120 -9.009 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.199 -0.456 -9.157 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.055 -0.797 -7.429 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 11.737 -1.590 -7.813 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 11.955 -1.299 -9.536 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 13.756 -2.943 -9.594 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 13.576 -3.207 -7.863 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 11.458 -3.730 -9.875 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 11.377 -4.097 -8.226 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 12.454 -4.900 -9.214 1.00 0.00 H +ATOM 1206 N VAL A 71 13.048 3.890 -6.446 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.336 5.161 -6.167 1.00 0.00 C +ATOM 1208 C VAL A 71 10.798 4.978 -6.422 1.00 0.00 C +ATOM 1209 O VAL A 71 10.066 5.914 -6.708 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.936 6.368 -7.011 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 12.369 7.725 -6.571 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.458 6.398 -6.914 1.00 0.00 C +ATOM 1213 H VAL A 71 13.526 3.468 -5.701 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.466 5.356 -5.111 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.667 6.214 -8.046 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 11.299 7.729 -6.710 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.811 8.516 -7.159 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.593 7.891 -5.527 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.845 7.219 -7.498 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.863 5.467 -7.286 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.749 6.523 -5.881 1.00 0.00 H +ATOM 1222 N VAL A 72 10.311 3.770 -6.231 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.908 3.477 -6.480 1.00 0.00 C +ATOM 1224 C VAL A 72 8.284 2.727 -5.307 1.00 0.00 C +ATOM 1225 O VAL A 72 8.922 1.897 -4.670 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.699 2.695 -7.828 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.465 1.398 -7.841 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.220 2.445 -8.126 1.00 0.00 C +ATOM 1229 H VAL A 72 10.890 3.063 -5.872 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.407 4.431 -6.559 1.00 0.00 H +ATOM 1231 HB VAL A 72 9.106 3.302 -8.623 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 9.121 0.766 -7.035 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 10.511 1.627 -7.707 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 9.324 0.901 -8.789 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 7.124 1.905 -9.056 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.690 3.384 -8.195 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.791 1.855 -7.329 1.00 0.00 H +ATOM 1238 N VAL A 73 7.072 3.068 -5.012 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.300 2.466 -3.970 1.00 0.00 C +ATOM 1240 C VAL A 73 5.305 1.493 -4.601 1.00 0.00 C +ATOM 1241 O VAL A 73 4.496 1.890 -5.437 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.518 3.559 -3.196 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.681 2.965 -2.094 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.457 4.624 -2.648 1.00 0.00 C +ATOM 1245 H VAL A 73 6.636 3.780 -5.529 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.955 1.948 -3.288 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.852 4.034 -3.900 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 5.317 2.440 -1.398 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 3.966 2.276 -2.520 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 4.152 3.753 -1.577 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 5.894 5.346 -2.075 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 6.937 5.126 -3.476 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 7.212 4.167 -2.026 1.00 0.00 H +ATOM 1254 N PHE A 74 5.379 0.245 -4.226 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.477 -0.763 -4.748 1.00 0.00 C +ATOM 1256 C PHE A 74 3.477 -1.196 -3.721 1.00 0.00 C +ATOM 1257 O PHE A 74 3.851 -1.678 -2.646 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.220 -1.993 -5.271 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.633 -1.910 -6.705 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 6.823 -1.327 -7.073 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 4.815 -2.437 -7.690 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 7.196 -1.269 -8.400 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 5.183 -2.382 -9.014 1.00 0.00 C +ATOM 1264 CZ PHE A 74 6.375 -1.797 -9.370 1.00 0.00 C +ATOM 1265 H PHE A 74 6.042 -0.011 -3.544 1.00 0.00 H +ATOM 1266 HA PHE A 74 3.945 -0.317 -5.576 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.115 -2.138 -4.683 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 4.583 -2.856 -5.154 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 7.466 -0.913 -6.310 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 3.879 -2.896 -7.411 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 8.132 -0.810 -8.678 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.535 -2.797 -9.772 1.00 0.00 H +ATOM 1273 HZ PHE A 74 6.666 -1.751 -10.409 1.00 0.00 H +ATOM 1274 N VAL A 75 2.218 -1.012 -4.035 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.146 -1.491 -3.194 1.00 0.00 C +ATOM 1276 C VAL A 75 1.046 -3.001 -3.372 1.00 0.00 C +ATOM 1277 O VAL A 75 0.914 -3.492 -4.505 1.00 0.00 O +ATOM 1278 CB VAL A 75 -0.208 -0.810 -3.535 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.336 -1.344 -2.654 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 -0.093 0.701 -3.394 1.00 0.00 C +ATOM 1281 H VAL A 75 2.005 -0.532 -4.867 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.415 -1.283 -2.168 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.451 -1.038 -4.562 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.099 -1.160 -1.617 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -1.448 -2.406 -2.814 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -2.260 -0.845 -2.904 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 -1.041 1.161 -3.629 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 0.663 1.069 -4.073 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.187 0.949 -2.381 1.00 0.00 H +ATOM 1290 N ILE A 76 1.139 -3.722 -2.275 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.174 -5.169 -2.318 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.224 -5.750 -2.148 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.611 -6.682 -2.858 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.089 -5.736 -1.193 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.492 -5.111 -1.259 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.183 -7.255 -1.298 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.413 -5.556 -0.132 1.00 0.00 C +ATOM 1298 H ILE A 76 1.167 -3.270 -1.403 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.580 -5.475 -3.270 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.641 -5.492 -0.239 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 3.958 -5.389 -2.192 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.402 -4.036 -1.212 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 2.534 -7.519 -2.283 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 1.213 -7.696 -1.123 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 2.888 -7.615 -0.563 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 5.377 -5.085 -0.252 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.528 -6.629 -0.161 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 3.986 -5.263 0.817 1.00 0.00 H +ATOM 1309 N SER A 77 -0.977 -5.185 -1.230 1.00 0.00 N +ATOM 1310 CA SER A 77 -2.294 -5.668 -0.931 1.00 0.00 C +ATOM 1311 C SER A 77 -3.095 -4.521 -0.338 1.00 0.00 C +ATOM 1312 O SER A 77 -2.516 -3.600 0.279 1.00 0.00 O +ATOM 1313 CB SER A 77 -2.203 -6.853 0.063 1.00 0.00 C +ATOM 1314 OG SER A 77 -3.466 -7.469 0.286 1.00 0.00 O +ATOM 1315 H SER A 77 -0.666 -4.403 -0.723 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.760 -6.002 -1.847 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.529 -7.597 -0.336 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -1.818 -6.494 1.006 1.00 0.00 H +ATOM 1319 HG SER A 77 -3.993 -7.345 -0.528 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.387 -4.548 -0.540 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.254 -3.512 -0.059 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.639 -4.078 0.266 1.00 0.00 C +ATOM 1323 O VAL A 78 -7.203 -4.868 -0.497 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.343 -2.322 -1.081 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.782 -2.780 -2.461 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.255 -1.221 -0.575 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.793 -5.316 -1.014 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.822 -3.144 0.859 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.348 -1.913 -1.185 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -5.078 -3.506 -2.840 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.822 -1.935 -3.130 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -6.761 -3.232 -2.394 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -6.284 -0.420 -1.300 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -5.873 -0.844 0.362 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -7.250 -1.614 -0.428 1.00 0.00 H +ATOM 1336 N GLY A 79 -7.158 -3.729 1.413 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.464 -4.162 1.755 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.685 -4.033 3.206 1.00 0.00 C +ATOM 1339 O GLY A 79 -8.711 -2.931 3.738 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.657 -3.195 2.074 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -9.188 -3.557 1.228 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.586 -5.195 1.469 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.796 -5.127 3.870 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.026 -5.114 5.282 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.090 -6.072 5.946 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.579 -7.006 5.311 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.455 -5.531 5.608 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.551 -4.627 5.060 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.923 -5.159 5.437 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.220 -6.494 4.764 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -14.430 -7.121 5.309 1.00 0.00 N +ATOM 1352 H LYS A 80 -8.699 -5.991 3.407 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.859 -4.116 5.659 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.602 -6.523 5.213 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.555 -5.574 6.683 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.430 -3.636 5.475 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.468 -4.584 3.984 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -12.954 -5.303 6.506 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.675 -4.440 5.147 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -13.360 -6.332 3.706 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -12.391 -7.170 4.907 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -15.241 -6.472 5.264 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -14.238 -7.421 6.292 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -14.657 -7.973 4.758 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.861 -5.869 7.199 1.00 0.00 N +ATOM 1366 CA ALA A 81 -7.077 -6.778 7.935 1.00 0.00 C +ATOM 1367 C ALA A 81 -8.001 -7.826 8.503 1.00 0.00 C +ATOM 1368 O ALA A 81 -8.093 -8.913 7.938 1.00 0.00 O +ATOM 1369 CB ALA A 81 -6.269 -6.074 9.015 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.263 -5.098 7.657 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.403 -7.260 7.243 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -5.680 -6.797 9.558 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -6.932 -5.559 9.694 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -5.610 -5.360 8.546 1.00 0.00 H +ATOM 1375 N GLU A 82 -8.703 -7.459 9.598 1.00 0.00 N +ATOM 1376 CA GLU A 82 -9.711 -8.258 10.369 1.00 0.00 C +ATOM 1377 C GLU A 82 -9.157 -9.577 10.925 1.00 0.00 C +ATOM 1378 O GLU A 82 -9.383 -9.939 12.078 1.00 0.00 O +ATOM 1379 CB GLU A 82 -11.025 -8.459 9.581 1.00 0.00 C +ATOM 1380 CG GLU A 82 -11.628 -7.142 9.102 1.00 0.00 C +ATOM 1381 CD GLU A 82 -13.062 -7.234 8.625 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -13.347 -7.921 7.632 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -13.941 -6.592 9.244 1.00 0.00 O +ATOM 1384 H GLU A 82 -8.541 -6.559 9.938 1.00 0.00 H +ATOM 1385 HA GLU A 82 -9.928 -7.654 11.239 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -10.825 -9.082 8.721 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -11.745 -8.953 10.217 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -11.600 -6.447 9.926 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -11.015 -6.759 8.300 1.00 0.00 H +ATOM 1390 N ALA A 83 -8.455 -10.253 10.097 1.00 0.00 N +ATOM 1391 CA ALA A 83 -7.789 -11.471 10.376 1.00 0.00 C +ATOM 1392 C ALA A 83 -6.337 -11.299 9.947 1.00 0.00 C +ATOM 1393 O ALA A 83 -5.608 -12.265 9.762 1.00 0.00 O +ATOM 1394 CB ALA A 83 -8.448 -12.536 9.552 1.00 0.00 C +ATOM 1395 H ALA A 83 -8.388 -9.899 9.181 1.00 0.00 H +ATOM 1396 HA ALA A 83 -7.869 -11.719 11.424 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -7.921 -13.472 9.648 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -8.435 -12.185 8.530 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -9.473 -12.630 9.879 1.00 0.00 H +ATOM 1400 N SER A 84 -5.948 -10.027 9.798 1.00 0.00 N +ATOM 1401 CA SER A 84 -4.620 -9.617 9.344 1.00 0.00 C +ATOM 1402 C SER A 84 -4.332 -10.129 7.916 1.00 0.00 C +ATOM 1403 O SER A 84 -3.176 -10.288 7.518 1.00 0.00 O +ATOM 1404 CB SER A 84 -3.566 -10.077 10.361 1.00 0.00 C +ATOM 1405 OG SER A 84 -3.877 -9.556 11.658 1.00 0.00 O +ATOM 1406 H SER A 84 -6.589 -9.336 10.064 1.00 0.00 H +ATOM 1407 HA SER A 84 -4.620 -8.538 9.305 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -3.553 -11.155 10.401 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -2.597 -9.709 10.061 1.00 0.00 H +ATOM 1410 HG SER A 84 -3.276 -9.987 12.279 1.00 0.00 H +ATOM 1411 N GLU A 85 -5.402 -10.235 7.118 1.00 0.00 N +ATOM 1412 CA GLU A 85 -5.347 -10.797 5.768 1.00 0.00 C +ATOM 1413 C GLU A 85 -4.369 -10.060 4.852 1.00 0.00 C +ATOM 1414 O GLU A 85 -3.504 -10.685 4.262 1.00 0.00 O +ATOM 1415 CB GLU A 85 -6.744 -10.832 5.161 1.00 0.00 C +ATOM 1416 CG GLU A 85 -6.794 -11.317 3.725 1.00 0.00 C +ATOM 1417 CD GLU A 85 -8.194 -11.425 3.207 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -8.812 -10.390 2.898 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -8.721 -12.561 3.111 1.00 0.00 O +ATOM 1420 H GLU A 85 -6.273 -9.936 7.458 1.00 0.00 H +ATOM 1421 HA GLU A 85 -4.998 -11.815 5.861 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -7.366 -11.481 5.759 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -7.149 -9.830 5.194 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -6.253 -10.616 3.106 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -6.320 -12.284 3.665 1.00 0.00 H +ATOM 1426 N VAL A 86 -4.476 -8.737 4.768 1.00 0.00 N +ATOM 1427 CA VAL A 86 -3.569 -7.948 3.907 1.00 0.00 C +ATOM 1428 C VAL A 86 -2.083 -8.119 4.281 1.00 0.00 C +ATOM 1429 O VAL A 86 -1.201 -7.977 3.441 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.939 -6.435 3.854 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -5.264 -6.235 3.149 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -3.997 -5.825 5.250 1.00 0.00 C +ATOM 1433 H VAL A 86 -5.196 -8.287 5.255 1.00 0.00 H +ATOM 1434 HA VAL A 86 -3.686 -8.357 2.912 1.00 0.00 H +ATOM 1435 HB VAL A 86 -3.177 -5.922 3.287 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -5.190 -6.591 2.131 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -5.514 -5.185 3.144 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -6.033 -6.787 3.668 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -4.260 -4.780 5.176 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -3.031 -5.922 5.725 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -4.740 -6.343 5.838 1.00 0.00 H +ATOM 1442 N TYR A 87 -1.817 -8.475 5.524 1.00 0.00 N +ATOM 1443 CA TYR A 87 -0.450 -8.650 5.975 1.00 0.00 C +ATOM 1444 C TYR A 87 0.026 -10.044 5.633 1.00 0.00 C +ATOM 1445 O TYR A 87 1.217 -10.266 5.391 1.00 0.00 O +ATOM 1446 CB TYR A 87 -0.317 -8.342 7.470 1.00 0.00 C +ATOM 1447 CG TYR A 87 -0.747 -6.933 7.798 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 0.117 -5.871 7.612 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 -2.032 -6.662 8.249 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 -0.285 -4.580 7.856 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 -2.435 -5.369 8.505 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -1.556 -4.334 8.302 1.00 0.00 C +ATOM 1453 OH TYR A 87 -1.965 -3.031 8.512 1.00 0.00 O +ATOM 1454 H TYR A 87 -2.556 -8.658 6.141 1.00 0.00 H +ATOM 1455 HA TYR A 87 0.151 -7.950 5.412 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 -0.934 -9.026 8.028 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 0.713 -8.459 7.775 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 1.120 -6.063 7.262 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 -2.718 -7.481 8.408 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 0.402 -3.761 7.705 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 -3.435 -5.172 8.858 1.00 0.00 H +ATOM 1462 HH TYR A 87 -1.573 -2.504 7.806 1.00 0.00 H +ATOM 1463 N SER A 88 -0.912 -10.970 5.574 1.00 0.00 N +ATOM 1464 CA SER A 88 -0.639 -12.314 5.148 1.00 0.00 C +ATOM 1465 C SER A 88 -0.327 -12.301 3.651 1.00 0.00 C +ATOM 1466 O SER A 88 0.650 -12.890 3.211 1.00 0.00 O +ATOM 1467 CB SER A 88 -1.845 -13.202 5.446 1.00 0.00 C +ATOM 1468 OG SER A 88 -2.180 -13.150 6.830 1.00 0.00 O +ATOM 1469 H SER A 88 -1.834 -10.752 5.831 1.00 0.00 H +ATOM 1470 HA SER A 88 0.222 -12.684 5.683 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -2.689 -12.848 4.873 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -1.622 -14.224 5.178 1.00 0.00 H +ATOM 1473 HG SER A 88 -1.430 -13.539 7.297 1.00 0.00 H +ATOM 1474 N GLU A 89 -1.126 -11.547 2.894 1.00 0.00 N +ATOM 1475 CA GLU A 89 -0.937 -11.408 1.449 1.00 0.00 C +ATOM 1476 C GLU A 89 0.431 -10.790 1.160 1.00 0.00 C +ATOM 1477 O GLU A 89 1.112 -11.160 0.192 1.00 0.00 O +ATOM 1478 CB GLU A 89 -2.028 -10.516 0.851 1.00 0.00 C +ATOM 1479 CG GLU A 89 -3.452 -10.975 1.132 1.00 0.00 C +ATOM 1480 CD GLU A 89 -3.742 -12.344 0.599 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -4.025 -12.466 -0.592 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -3.709 -13.320 1.370 1.00 0.00 O +ATOM 1483 H GLU A 89 -1.887 -11.090 3.319 1.00 0.00 H +ATOM 1484 HA GLU A 89 -0.988 -12.386 0.997 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -1.914 -9.521 1.256 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -1.892 -10.469 -0.219 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -3.607 -10.992 2.201 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -4.139 -10.272 0.683 1.00 0.00 H +ATOM 1489 N ALA A 90 0.829 -9.865 2.022 1.00 0.00 N +ATOM 1490 CA ALA A 90 2.101 -9.194 1.907 1.00 0.00 C +ATOM 1491 C ALA A 90 3.262 -10.142 2.201 1.00 0.00 C +ATOM 1492 O ALA A 90 4.199 -10.243 1.409 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.150 -7.976 2.816 1.00 0.00 C +ATOM 1494 H ALA A 90 0.216 -9.621 2.747 1.00 0.00 H +ATOM 1495 HA ALA A 90 2.188 -8.856 0.886 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 3.076 -7.443 2.659 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 2.089 -8.298 3.846 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 1.317 -7.325 2.594 1.00 0.00 H +ATOM 1499 N VAL A 91 3.189 -10.872 3.315 1.00 0.00 N +ATOM 1500 CA VAL A 91 4.282 -11.772 3.690 1.00 0.00 C +ATOM 1501 C VAL A 91 4.368 -12.970 2.725 1.00 0.00 C +ATOM 1502 O VAL A 91 5.445 -13.518 2.495 1.00 0.00 O +ATOM 1503 CB VAL A 91 4.209 -12.238 5.189 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 3.002 -13.109 5.463 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 5.496 -12.932 5.627 1.00 0.00 C +ATOM 1506 H VAL A 91 2.394 -10.798 3.889 1.00 0.00 H +ATOM 1507 HA VAL A 91 5.190 -11.203 3.547 1.00 0.00 H +ATOM 1508 HB VAL A 91 4.094 -11.345 5.787 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 2.116 -12.550 5.204 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 2.974 -13.374 6.511 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 3.055 -14.001 4.857 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 5.662 -13.802 5.011 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 5.408 -13.234 6.661 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 6.327 -12.252 5.522 1.00 0.00 H +ATOM 1515 N LYS A 92 3.241 -13.322 2.108 1.00 0.00 N +ATOM 1516 CA LYS A 92 3.204 -14.404 1.127 1.00 0.00 C +ATOM 1517 C LYS A 92 3.931 -14.057 -0.169 1.00 0.00 C +ATOM 1518 O LYS A 92 4.176 -14.928 -0.999 1.00 0.00 O +ATOM 1519 CB LYS A 92 1.776 -14.897 0.845 1.00 0.00 C +ATOM 1520 CG LYS A 92 1.142 -15.715 1.975 1.00 0.00 C +ATOM 1521 CD LYS A 92 2.025 -16.889 2.392 1.00 0.00 C +ATOM 1522 CE LYS A 92 2.342 -17.821 1.228 1.00 0.00 C +ATOM 1523 NZ LYS A 92 3.332 -18.833 1.616 1.00 0.00 N +ATOM 1524 H LYS A 92 2.403 -12.863 2.339 1.00 0.00 H +ATOM 1525 HA LYS A 92 3.761 -15.218 1.564 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 1.159 -14.020 0.713 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 1.759 -15.481 -0.063 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 0.991 -15.073 2.830 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 0.188 -16.094 1.639 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 2.949 -16.516 2.807 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 1.504 -17.450 3.154 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 1.436 -18.314 0.908 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 2.741 -17.239 0.411 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 2.985 -19.413 2.404 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 4.220 -18.357 1.895 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 3.547 -19.454 0.812 1.00 0.00 H +ATOM 1537 N ARG A 93 4.272 -12.797 -0.343 1.00 0.00 N +ATOM 1538 CA ARG A 93 5.076 -12.396 -1.482 1.00 0.00 C +ATOM 1539 C ARG A 93 6.530 -12.709 -1.214 1.00 0.00 C +ATOM 1540 O ARG A 93 7.317 -12.921 -2.132 1.00 0.00 O +ATOM 1541 CB ARG A 93 4.927 -10.905 -1.776 1.00 0.00 C +ATOM 1542 CG ARG A 93 3.586 -10.501 -2.351 1.00 0.00 C +ATOM 1543 CD ARG A 93 3.349 -11.139 -3.714 1.00 0.00 C +ATOM 1544 NE ARG A 93 4.439 -10.847 -4.668 1.00 0.00 N +ATOM 1545 CZ ARG A 93 4.332 -10.075 -5.759 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 3.198 -9.447 -6.018 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 5.362 -9.938 -6.586 1.00 0.00 N +ATOM 1548 H ARG A 93 3.971 -12.125 0.305 1.00 0.00 H +ATOM 1549 HA ARG A 93 4.755 -12.962 -2.342 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 5.071 -10.359 -0.855 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 5.698 -10.615 -2.475 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 2.804 -10.812 -1.675 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 3.562 -9.428 -2.460 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 3.270 -12.209 -3.593 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 2.422 -10.761 -4.116 1.00 0.00 H +ATOM 1556 HE ARG A 93 5.291 -11.304 -4.475 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 2.392 -9.522 -5.434 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 3.079 -8.848 -6.824 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 6.240 -10.399 -6.429 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 5.319 -9.370 -7.412 1.00 0.00 H +ATOM 1561 N ILE A 94 6.871 -12.766 0.043 1.00 0.00 N +ATOM 1562 CA ILE A 94 8.230 -12.971 0.435 1.00 0.00 C +ATOM 1563 C ILE A 94 8.462 -14.444 0.759 1.00 0.00 C +ATOM 1564 O ILE A 94 9.413 -15.052 0.255 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.589 -12.084 1.649 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 8.183 -10.630 1.355 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 10.094 -12.160 1.935 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 8.355 -9.689 2.521 1.00 0.00 C +ATOM 1569 H ILE A 94 6.175 -12.690 0.730 1.00 0.00 H +ATOM 1570 HA ILE A 94 8.861 -12.693 -0.396 1.00 0.00 H +ATOM 1571 HB ILE A 94 8.042 -12.429 2.513 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 8.782 -10.254 0.539 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 7.143 -10.615 1.064 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 10.371 -13.183 2.145 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 10.329 -11.543 2.789 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 10.642 -11.807 1.075 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 8.037 -8.700 2.228 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 9.395 -9.664 2.811 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 7.752 -10.031 3.350 1.00 0.00 H +ATOM 1580 N LEU A 95 7.594 -15.012 1.583 1.00 0.00 N +ATOM 1581 CA LEU A 95 7.690 -16.409 1.956 1.00 0.00 C +ATOM 1582 C LEU A 95 6.451 -17.157 1.478 1.00 0.00 C +ATOM 1583 O LEU A 95 6.404 -17.536 0.303 1.00 0.00 O +ATOM 1584 CB LEU A 95 7.861 -16.617 3.490 1.00 0.00 C +ATOM 1585 CG LEU A 95 9.112 -16.034 4.190 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 10.396 -16.359 3.441 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 8.972 -14.545 4.471 1.00 0.00 C +ATOM 1588 OXT LEU A 95 5.522 -17.403 2.291 1.00 0.00 O +ATOM 1589 H LEU A 95 6.841 -14.492 1.943 1.00 0.00 H +ATOM 1590 HA LEU A 95 8.550 -16.819 1.448 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 7.000 -16.179 3.969 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 7.838 -17.680 3.678 1.00 0.00 H +ATOM 1593 HG LEU A 95 9.200 -16.544 5.140 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 11.239 -15.948 3.977 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 10.357 -15.921 2.455 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 10.509 -17.430 3.356 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 8.122 -14.377 5.115 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 8.827 -14.021 3.537 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 9.868 -14.181 4.951 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 17 +ATOM 1 N MET A 1 9.821 15.819 -3.054 1.00 0.00 N +ATOM 2 CA MET A 1 10.138 14.729 -3.951 1.00 0.00 C +ATOM 3 C MET A 1 8.990 13.769 -3.945 1.00 0.00 C +ATOM 4 O MET A 1 8.218 13.746 -2.996 1.00 0.00 O +ATOM 5 CB MET A 1 11.450 14.011 -3.545 1.00 0.00 C +ATOM 6 CG MET A 1 11.418 13.291 -2.197 1.00 0.00 C +ATOM 7 SD MET A 1 12.977 12.452 -1.813 1.00 0.00 S +ATOM 8 CE MET A 1 13.082 11.257 -3.155 1.00 0.00 C +ATOM 9 H MET A 1 10.586 16.518 -2.981 1.00 0.00 H +ATOM 10 HA MET A 1 10.236 15.130 -4.948 1.00 0.00 H +ATOM 11 HB2 MET A 1 11.685 13.275 -4.299 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.244 14.744 -3.516 1.00 0.00 H +ATOM 13 HG2 MET A 1 11.220 14.014 -1.420 1.00 0.00 H +ATOM 14 HG3 MET A 1 10.625 12.557 -2.211 1.00 0.00 H +ATOM 15 HE1 MET A 1 12.217 10.610 -3.135 1.00 0.00 H +ATOM 16 HE2 MET A 1 13.978 10.664 -3.040 1.00 0.00 H +ATOM 17 HE3 MET A 1 13.121 11.775 -4.102 1.00 0.00 H +ATOM 18 N ALA A 2 8.875 12.994 -4.980 1.00 0.00 N +ATOM 19 CA ALA A 2 7.812 12.046 -5.100 1.00 0.00 C +ATOM 20 C ALA A 2 8.374 10.750 -5.610 1.00 0.00 C +ATOM 21 O ALA A 2 9.410 10.733 -6.286 1.00 0.00 O +ATOM 22 CB ALA A 2 6.731 12.568 -6.039 1.00 0.00 C +ATOM 23 H ALA A 2 9.540 13.016 -5.704 1.00 0.00 H +ATOM 24 HA ALA A 2 7.378 11.894 -4.122 1.00 0.00 H +ATOM 25 HB1 ALA A 2 5.933 11.844 -6.105 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.153 12.726 -7.020 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.341 13.500 -5.657 1.00 0.00 H +ATOM 28 N TYR A 3 7.728 9.686 -5.271 1.00 0.00 N +ATOM 29 CA TYR A 3 8.128 8.364 -5.685 1.00 0.00 C +ATOM 30 C TYR A 3 7.135 7.858 -6.700 1.00 0.00 C +ATOM 31 O TYR A 3 6.063 8.458 -6.883 1.00 0.00 O +ATOM 32 CB TYR A 3 8.137 7.397 -4.485 1.00 0.00 C +ATOM 33 CG TYR A 3 9.214 7.623 -3.436 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.440 8.873 -2.876 1.00 0.00 C +ATOM 35 CD2 TYR A 3 9.998 6.565 -3.000 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.407 9.062 -1.921 1.00 0.00 C +ATOM 37 CE2 TYR A 3 10.962 6.744 -2.035 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.162 7.994 -1.500 1.00 0.00 C +ATOM 39 OH TYR A 3 12.103 8.175 -0.523 1.00 0.00 O +ATOM 40 H TYR A 3 6.920 9.779 -4.727 1.00 0.00 H +ATOM 41 HA TYR A 3 9.119 8.406 -6.113 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.187 7.469 -3.977 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.249 6.393 -4.866 1.00 0.00 H +ATOM 44 HD1 TYR A 3 8.845 9.712 -3.208 1.00 0.00 H +ATOM 45 HD2 TYR A 3 9.838 5.583 -3.422 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.567 10.043 -1.499 1.00 0.00 H +ATOM 47 HE2 TYR A 3 11.562 5.908 -1.708 1.00 0.00 H +ATOM 48 HH TYR A 3 12.855 7.578 -0.693 1.00 0.00 H +ATOM 49 N PHE A 4 7.474 6.790 -7.362 1.00 0.00 N +ATOM 50 CA PHE A 4 6.554 6.142 -8.264 1.00 0.00 C +ATOM 51 C PHE A 4 5.555 5.356 -7.434 1.00 0.00 C +ATOM 52 O PHE A 4 5.873 4.938 -6.337 1.00 0.00 O +ATOM 53 CB PHE A 4 7.286 5.193 -9.224 1.00 0.00 C +ATOM 54 CG PHE A 4 8.227 5.846 -10.195 1.00 0.00 C +ATOM 55 CD1 PHE A 4 9.554 6.055 -9.872 1.00 0.00 C +ATOM 56 CD2 PHE A 4 7.786 6.225 -11.446 1.00 0.00 C +ATOM 57 CE1 PHE A 4 10.418 6.632 -10.776 1.00 0.00 C +ATOM 58 CE2 PHE A 4 8.643 6.804 -12.349 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.961 7.008 -12.016 1.00 0.00 C +ATOM 60 H PHE A 4 8.378 6.419 -7.232 1.00 0.00 H +ATOM 61 HA PHE A 4 6.036 6.903 -8.823 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.874 4.502 -8.640 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.553 4.634 -9.788 1.00 0.00 H +ATOM 64 HD1 PHE A 4 9.908 5.762 -8.895 1.00 0.00 H +ATOM 65 HD2 PHE A 4 6.753 6.069 -11.716 1.00 0.00 H +ATOM 66 HE1 PHE A 4 11.453 6.791 -10.512 1.00 0.00 H +ATOM 67 HE2 PHE A 4 8.275 7.094 -13.321 1.00 0.00 H +ATOM 68 HZ PHE A 4 10.633 7.459 -12.729 1.00 0.00 H +ATOM 69 N LEU A 5 4.370 5.174 -7.929 1.00 0.00 N +ATOM 70 CA LEU A 5 3.370 4.410 -7.207 1.00 0.00 C +ATOM 71 C LEU A 5 2.885 3.321 -8.152 1.00 0.00 C +ATOM 72 O LEU A 5 2.444 3.616 -9.275 1.00 0.00 O +ATOM 73 CB LEU A 5 2.198 5.342 -6.750 1.00 0.00 C +ATOM 74 CG LEU A 5 1.236 4.851 -5.606 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.495 3.578 -5.949 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.976 4.680 -4.297 1.00 0.00 C +ATOM 77 H LEU A 5 4.154 5.527 -8.817 1.00 0.00 H +ATOM 78 HA LEU A 5 3.843 3.954 -6.349 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.630 6.279 -6.430 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.597 5.542 -7.624 1.00 0.00 H +ATOM 81 HG LEU A 5 0.476 5.607 -5.448 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.102 3.281 -5.098 1.00 0.00 H +ATOM 83 HD12 LEU A 5 1.208 2.799 -6.172 1.00 0.00 H +ATOM 84 HD13 LEU A 5 -0.146 3.746 -6.800 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.388 5.625 -3.980 1.00 0.00 H +ATOM 86 HD22 LEU A 5 2.768 3.958 -4.426 1.00 0.00 H +ATOM 87 HD23 LEU A 5 1.287 4.321 -3.547 1.00 0.00 H +ATOM 88 N ASP A 6 3.012 2.089 -7.749 1.00 0.00 N +ATOM 89 CA ASP A 6 2.578 0.976 -8.572 1.00 0.00 C +ATOM 90 C ASP A 6 1.769 0.016 -7.738 1.00 0.00 C +ATOM 91 O ASP A 6 1.899 -0.010 -6.514 1.00 0.00 O +ATOM 92 CB ASP A 6 3.775 0.250 -9.203 1.00 0.00 C +ATOM 93 CG ASP A 6 3.356 -0.797 -10.220 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.493 -0.488 -11.090 1.00 0.00 O +ATOM 95 OD2 ASP A 6 3.859 -1.926 -10.173 1.00 0.00 O +ATOM 96 H ASP A 6 3.402 1.894 -6.864 1.00 0.00 H +ATOM 97 HA ASP A 6 1.951 1.372 -9.357 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.442 0.954 -9.675 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.305 -0.256 -8.410 1.00 0.00 H +ATOM 100 N PHE A 7 0.946 -0.754 -8.379 1.00 0.00 N +ATOM 101 CA PHE A 7 0.098 -1.705 -7.710 1.00 0.00 C +ATOM 102 C PHE A 7 0.336 -3.074 -8.293 1.00 0.00 C +ATOM 103 O PHE A 7 0.534 -3.207 -9.511 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.388 -1.379 -7.929 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.890 -0.057 -7.418 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -2.411 0.054 -6.143 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -1.883 1.064 -8.235 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.915 1.255 -5.687 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -2.379 2.269 -7.785 1.00 0.00 C +ATOM 110 CZ PHE A 7 -2.898 2.366 -6.508 1.00 0.00 C +ATOM 111 H PHE A 7 0.941 -0.718 -9.360 1.00 0.00 H +ATOM 112 HA PHE A 7 0.307 -1.700 -6.651 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.569 -1.377 -8.993 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.982 -2.163 -7.481 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -2.421 -0.812 -5.497 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -1.478 0.988 -9.233 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -3.321 1.326 -4.689 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -2.363 3.136 -8.429 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.293 3.305 -6.152 1.00 0.00 H +ATOM 120 N ASP A 8 0.344 -4.077 -7.456 1.00 0.00 N +ATOM 121 CA ASP A 8 0.377 -5.444 -7.929 1.00 0.00 C +ATOM 122 C ASP A 8 -0.977 -5.777 -8.530 1.00 0.00 C +ATOM 123 O ASP A 8 -1.975 -5.131 -8.182 1.00 0.00 O +ATOM 124 CB ASP A 8 0.712 -6.438 -6.815 1.00 0.00 C +ATOM 125 CG ASP A 8 0.712 -7.859 -7.333 1.00 0.00 C +ATOM 126 OD1 ASP A 8 1.706 -8.266 -7.990 1.00 0.00 O +ATOM 127 OD2 ASP A 8 -0.290 -8.567 -7.150 1.00 0.00 O +ATOM 128 H ASP A 8 0.349 -3.902 -6.487 1.00 0.00 H +ATOM 129 HA ASP A 8 1.120 -5.507 -8.709 1.00 0.00 H +ATOM 130 HB2 ASP A 8 1.690 -6.213 -6.415 1.00 0.00 H +ATOM 131 HB3 ASP A 8 -0.024 -6.359 -6.027 1.00 0.00 H +ATOM 132 N GLU A 9 -1.020 -6.743 -9.431 1.00 0.00 N +ATOM 133 CA GLU A 9 -2.252 -7.143 -10.059 1.00 0.00 C +ATOM 134 C GLU A 9 -3.343 -7.491 -9.033 1.00 0.00 C +ATOM 135 O GLU A 9 -4.490 -7.113 -9.238 1.00 0.00 O +ATOM 136 CB GLU A 9 -2.056 -8.313 -11.016 1.00 0.00 C +ATOM 137 CG GLU A 9 -1.424 -9.530 -10.385 1.00 0.00 C +ATOM 138 CD GLU A 9 -1.826 -10.788 -11.081 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -1.173 -11.198 -12.054 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -2.852 -11.382 -10.673 1.00 0.00 O +ATOM 141 H GLU A 9 -0.188 -7.201 -9.675 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.599 -6.293 -10.632 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -3.019 -8.602 -11.409 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -1.426 -7.990 -11.832 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -0.350 -9.430 -10.446 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -1.728 -9.587 -9.350 1.00 0.00 H +ATOM 147 N ARG A 10 -2.995 -8.161 -7.897 1.00 0.00 N +ATOM 148 CA ARG A 10 -4.041 -8.486 -6.916 1.00 0.00 C +ATOM 149 C ARG A 10 -4.559 -7.216 -6.298 1.00 0.00 C +ATOM 150 O ARG A 10 -5.752 -7.050 -6.137 1.00 0.00 O +ATOM 151 CB ARG A 10 -3.627 -9.483 -5.793 1.00 0.00 C +ATOM 152 CG ARG A 10 -2.561 -8.989 -4.811 1.00 0.00 C +ATOM 153 CD ARG A 10 -2.553 -9.821 -3.523 1.00 0.00 C +ATOM 154 NE ARG A 10 -3.789 -9.628 -2.709 1.00 0.00 N +ATOM 155 CZ ARG A 10 -4.219 -10.439 -1.716 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -3.553 -11.536 -1.394 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -5.332 -10.143 -1.053 1.00 0.00 N +ATOM 158 H ARG A 10 -2.050 -8.402 -7.733 1.00 0.00 H +ATOM 159 HA ARG A 10 -4.858 -8.906 -7.485 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -4.505 -9.727 -5.214 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.263 -10.388 -6.256 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -1.591 -9.063 -5.280 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -2.765 -7.958 -4.564 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -2.464 -10.867 -3.781 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -1.701 -9.527 -2.930 1.00 0.00 H +ATOM 166 HE ARG A 10 -4.322 -8.812 -2.912 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -2.702 -11.827 -1.860 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -3.862 -12.145 -0.665 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -5.873 -9.314 -1.278 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -5.703 -10.711 -0.307 1.00 0.00 H +ATOM 171 N ALA A 11 -3.645 -6.287 -6.051 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.966 -5.027 -5.439 1.00 0.00 C +ATOM 173 C ALA A 11 -4.879 -4.225 -6.342 1.00 0.00 C +ATOM 174 O ALA A 11 -5.785 -3.593 -5.876 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.700 -4.249 -5.104 1.00 0.00 C +ATOM 176 H ALA A 11 -2.718 -6.462 -6.315 1.00 0.00 H +ATOM 177 HA ALA A 11 -4.490 -5.241 -4.518 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -2.077 -4.843 -4.449 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -2.963 -3.325 -4.611 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -2.161 -4.034 -6.015 1.00 0.00 H +ATOM 181 N LEU A 12 -4.653 -4.303 -7.647 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.498 -3.625 -8.607 1.00 0.00 C +ATOM 183 C LEU A 12 -6.878 -4.236 -8.634 1.00 0.00 C +ATOM 184 O LEU A 12 -7.872 -3.528 -8.633 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.876 -3.638 -10.000 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.755 -2.635 -10.240 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.104 -2.881 -11.591 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.308 -1.207 -10.177 1.00 0.00 C +ATOM 189 H LEU A 12 -3.897 -4.839 -7.973 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.593 -2.600 -8.278 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.483 -4.628 -10.176 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.660 -3.452 -10.715 1.00 0.00 H +ATOM 193 HG LEU A 12 -3.009 -2.742 -9.467 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -2.693 -3.880 -11.614 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.313 -2.163 -11.747 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -3.843 -2.779 -12.371 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -5.073 -1.083 -10.929 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -3.512 -0.502 -10.368 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.732 -1.005 -9.204 1.00 0.00 H +ATOM 200 N LYS A 13 -6.929 -5.543 -8.612 1.00 0.00 N +ATOM 201 CA LYS A 13 -8.183 -6.272 -8.625 1.00 0.00 C +ATOM 202 C LYS A 13 -8.998 -5.964 -7.365 1.00 0.00 C +ATOM 203 O LYS A 13 -10.216 -5.732 -7.437 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.898 -7.770 -8.795 1.00 0.00 C +ATOM 205 CG LYS A 13 -7.270 -8.073 -10.152 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.602 -9.437 -10.215 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.979 -9.647 -11.593 1.00 0.00 C +ATOM 208 NZ LYS A 13 -5.261 -10.929 -11.720 1.00 0.00 N +ATOM 209 H LYS A 13 -6.082 -6.043 -8.579 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.744 -5.922 -9.478 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -7.220 -8.088 -8.017 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.822 -8.323 -8.715 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -8.044 -8.046 -10.902 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -6.537 -7.310 -10.369 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.820 -9.449 -9.469 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -7.325 -10.212 -10.015 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -6.763 -9.620 -12.335 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -5.290 -8.837 -11.784 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -4.935 -11.037 -12.703 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -5.865 -11.743 -11.503 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -4.405 -10.982 -11.123 1.00 0.00 H +ATOM 222 N GLU A 14 -8.317 -5.915 -6.231 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.937 -5.562 -4.967 1.00 0.00 C +ATOM 224 C GLU A 14 -9.334 -4.080 -4.949 1.00 0.00 C +ATOM 225 O GLU A 14 -10.397 -3.733 -4.482 1.00 0.00 O +ATOM 226 CB GLU A 14 -8.013 -5.911 -3.797 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.662 -7.388 -3.749 1.00 0.00 C +ATOM 228 CD GLU A 14 -6.740 -7.765 -2.624 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -5.511 -7.570 -2.738 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -7.223 -8.328 -1.610 1.00 0.00 O +ATOM 231 H GLU A 14 -7.360 -6.148 -6.235 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.841 -6.148 -4.886 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -7.099 -5.344 -3.893 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.497 -5.647 -2.868 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -8.576 -7.952 -3.638 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -7.196 -7.656 -4.686 1.00 0.00 H +ATOM 237 N TRP A 15 -8.486 -3.236 -5.504 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.714 -1.783 -5.610 1.00 0.00 C +ATOM 239 C TRP A 15 -9.981 -1.498 -6.438 1.00 0.00 C +ATOM 240 O TRP A 15 -10.792 -0.623 -6.100 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.475 -1.154 -6.281 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.470 0.330 -6.432 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.843 1.045 -7.532 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -7.022 1.278 -5.467 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.679 2.387 -7.296 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.173 2.555 -6.035 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.518 1.171 -4.168 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.832 3.712 -5.355 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.178 2.321 -3.495 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.337 3.575 -4.088 1.00 0.00 C +ATOM 251 H TRP A 15 -7.631 -3.587 -5.844 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.828 -1.372 -4.618 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.604 -1.409 -5.697 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.365 -1.590 -7.263 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -8.218 0.597 -8.441 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.890 3.103 -7.934 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.390 0.207 -3.698 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.951 4.687 -5.803 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.783 2.262 -2.491 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.058 4.452 -3.522 1.00 0.00 H +ATOM 261 N ARG A 16 -10.145 -2.248 -7.507 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.305 -2.123 -8.376 1.00 0.00 C +ATOM 263 C ARG A 16 -12.539 -2.709 -7.702 1.00 0.00 C +ATOM 264 O ARG A 16 -13.663 -2.229 -7.919 1.00 0.00 O +ATOM 265 CB ARG A 16 -11.034 -2.799 -9.713 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.876 -2.171 -10.460 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.466 -3.000 -11.646 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.218 -2.516 -12.238 1.00 0.00 N +ATOM 269 CZ ARG A 16 -7.314 -3.291 -12.847 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -7.523 -4.604 -12.949 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -6.195 -2.757 -13.338 1.00 0.00 N +ATOM 272 H ARG A 16 -9.435 -2.895 -7.726 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.477 -1.070 -8.540 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.806 -3.839 -9.535 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.915 -2.735 -10.333 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.176 -1.191 -10.803 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -9.038 -2.077 -9.786 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.318 -4.014 -11.306 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -10.246 -2.972 -12.393 1.00 0.00 H +ATOM 280 HE ARG A 16 -8.077 -1.545 -12.141 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.347 -5.047 -12.581 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -6.867 -5.218 -13.394 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -5.995 -1.775 -13.270 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -5.500 -3.326 -13.790 1.00 0.00 H +ATOM 285 N LYS A 17 -12.316 -3.722 -6.876 1.00 0.00 N +ATOM 286 CA LYS A 17 -13.365 -4.359 -6.085 1.00 0.00 C +ATOM 287 C LYS A 17 -13.893 -3.380 -5.043 1.00 0.00 C +ATOM 288 O LYS A 17 -15.100 -3.272 -4.826 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.791 -5.578 -5.362 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.769 -6.279 -4.434 1.00 0.00 C +ATOM 291 CD LYS A 17 -13.073 -7.302 -3.548 1.00 0.00 C +ATOM 292 CE LYS A 17 -12.411 -8.398 -4.353 1.00 0.00 C +ATOM 293 NZ LYS A 17 -11.787 -9.409 -3.486 1.00 0.00 N +ATOM 294 H LYS A 17 -11.400 -4.068 -6.793 1.00 0.00 H +ATOM 295 HA LYS A 17 -14.161 -4.679 -6.739 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -12.451 -6.287 -6.102 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.941 -5.255 -4.778 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -14.238 -5.538 -3.805 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -14.521 -6.776 -5.029 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -12.317 -6.797 -2.965 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -13.804 -7.736 -2.883 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -13.164 -8.878 -4.960 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -11.656 -7.961 -4.989 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -11.064 -9.002 -2.861 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -11.313 -10.130 -4.068 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -12.501 -9.892 -2.906 1.00 0.00 H +ATOM 307 N LEU A 18 -12.959 -2.693 -4.408 1.00 0.00 N +ATOM 308 CA LEU A 18 -13.223 -1.722 -3.361 1.00 0.00 C +ATOM 309 C LEU A 18 -14.223 -0.659 -3.763 1.00 0.00 C +ATOM 310 O LEU A 18 -14.390 -0.325 -4.960 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.924 -1.044 -2.908 1.00 0.00 C +ATOM 312 CG LEU A 18 -11.353 -1.459 -1.546 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -11.058 -2.948 -1.474 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -10.108 -0.656 -1.241 1.00 0.00 C +ATOM 315 H LEU A 18 -12.021 -2.865 -4.645 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.610 -2.272 -2.518 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -11.171 -1.241 -3.657 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -12.100 0.022 -2.886 1.00 0.00 H +ATOM 319 HG LEU A 18 -12.082 -1.227 -0.786 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -11.970 -3.502 -1.640 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -10.665 -3.189 -0.497 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.334 -3.211 -2.232 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -10.367 0.392 -1.217 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -9.364 -0.830 -2.005 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.718 -0.950 -0.279 1.00 0.00 H +ATOM 326 N GLY A 19 -14.887 -0.140 -2.760 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.809 0.923 -2.939 1.00 0.00 C +ATOM 328 C GLY A 19 -15.075 2.151 -3.370 1.00 0.00 C +ATOM 329 O GLY A 19 -13.958 2.414 -2.889 1.00 0.00 O +ATOM 330 H GLY A 19 -14.722 -0.507 -1.864 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.538 0.649 -3.689 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.311 1.125 -2.006 1.00 0.00 H +ATOM 333 N SER A 20 -15.676 2.892 -4.250 1.00 0.00 N +ATOM 334 CA SER A 20 -15.090 4.057 -4.849 1.00 0.00 C +ATOM 335 C SER A 20 -14.586 5.078 -3.815 1.00 0.00 C +ATOM 336 O SER A 20 -13.450 5.519 -3.886 1.00 0.00 O +ATOM 337 CB SER A 20 -16.107 4.636 -5.817 1.00 0.00 C +ATOM 338 OG SER A 20 -17.429 4.451 -5.303 1.00 0.00 O +ATOM 339 H SER A 20 -16.593 2.685 -4.523 1.00 0.00 H +ATOM 340 HA SER A 20 -14.241 3.722 -5.427 1.00 0.00 H +ATOM 341 HB2 SER A 20 -15.926 5.692 -5.940 1.00 0.00 H +ATOM 342 HB3 SER A 20 -16.033 4.137 -6.772 1.00 0.00 H +ATOM 343 HG SER A 20 -17.842 5.325 -5.247 1.00 0.00 H +ATOM 344 N THR A 21 -15.393 5.359 -2.825 1.00 0.00 N +ATOM 345 CA THR A 21 -15.054 6.319 -1.790 1.00 0.00 C +ATOM 346 C THR A 21 -13.913 5.792 -0.907 1.00 0.00 C +ATOM 347 O THR A 21 -13.007 6.547 -0.512 1.00 0.00 O +ATOM 348 CB THR A 21 -16.298 6.629 -0.940 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.347 7.088 -1.817 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.009 7.697 0.105 1.00 0.00 C +ATOM 351 H THR A 21 -16.252 4.891 -2.781 1.00 0.00 H +ATOM 352 HA THR A 21 -14.729 7.228 -2.274 1.00 0.00 H +ATOM 353 HB THR A 21 -16.601 5.713 -0.453 1.00 0.00 H +ATOM 354 HG1 THR A 21 -18.191 6.869 -1.401 1.00 0.00 H +ATOM 355 HG21 THR A 21 -15.231 7.349 0.768 1.00 0.00 H +ATOM 356 HG22 THR A 21 -16.904 7.900 0.675 1.00 0.00 H +ATOM 357 HG23 THR A 21 -15.682 8.603 -0.384 1.00 0.00 H +ATOM 358 N VAL A 22 -13.930 4.487 -0.670 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.931 3.842 0.150 1.00 0.00 C +ATOM 360 C VAL A 22 -11.582 3.936 -0.539 1.00 0.00 C +ATOM 361 O VAL A 22 -10.582 4.363 0.051 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.288 2.346 0.353 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -12.212 1.625 1.136 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.636 2.196 1.043 1.00 0.00 C +ATOM 365 H VAL A 22 -14.627 3.932 -1.076 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.892 4.328 1.114 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.361 1.894 -0.625 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -11.274 1.695 0.606 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -12.485 0.587 1.255 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -12.111 2.084 2.109 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.600 2.670 2.012 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -14.864 1.148 1.164 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -15.400 2.665 0.440 1.00 0.00 H +ATOM 374 N ARG A 23 -11.574 3.600 -1.807 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.368 3.651 -2.573 1.00 0.00 C +ATOM 376 C ARG A 23 -9.887 5.080 -2.804 1.00 0.00 C +ATOM 377 O ARG A 23 -8.701 5.311 -2.839 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.425 2.834 -3.851 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.528 3.202 -4.806 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.251 2.592 -6.150 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.296 2.894 -7.138 1.00 0.00 N +ATOM 382 CZ ARG A 23 -13.027 1.970 -7.793 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.888 0.669 -7.504 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.904 2.356 -8.720 1.00 0.00 N +ATOM 385 H ARG A 23 -12.415 3.304 -2.225 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.626 3.206 -1.924 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.484 2.921 -4.373 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.573 1.801 -3.564 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.435 2.764 -4.412 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.661 4.273 -4.874 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.306 3.014 -6.467 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -11.142 1.524 -6.035 1.00 0.00 H +ATOM 393 HE ARG A 23 -12.400 3.857 -7.318 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -12.236 0.346 -6.806 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -13.426 -0.052 -7.948 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -14.045 3.322 -8.953 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -14.473 1.724 -9.256 1.00 0.00 H +ATOM 398 N GLU A 24 -10.816 6.030 -2.972 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.450 7.451 -3.090 1.00 0.00 C +ATOM 400 C GLU A 24 -9.667 7.901 -1.876 1.00 0.00 C +ATOM 401 O GLU A 24 -8.645 8.569 -2.005 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.678 8.345 -3.244 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.346 8.281 -4.597 1.00 0.00 C +ATOM 404 CD GLU A 24 -13.626 9.072 -4.635 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -13.577 10.319 -4.636 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -14.715 8.459 -4.655 1.00 0.00 O +ATOM 407 H GLU A 24 -11.765 5.780 -3.037 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.826 7.559 -3.964 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.407 8.061 -2.499 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.378 9.367 -3.059 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -11.671 8.671 -5.344 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.570 7.249 -4.818 1.00 0.00 H +ATOM 413 N GLN A 25 -10.123 7.496 -0.701 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.471 7.872 0.534 1.00 0.00 C +ATOM 415 C GLN A 25 -8.094 7.243 0.644 1.00 0.00 C +ATOM 416 O GLN A 25 -7.143 7.889 1.086 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.353 7.558 1.744 1.00 0.00 C +ATOM 418 CG GLN A 25 -10.917 8.808 2.418 1.00 0.00 C +ATOM 419 CD GLN A 25 -11.724 9.726 1.490 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -11.716 10.947 1.668 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -12.451 9.172 0.546 1.00 0.00 N +ATOM 422 H GLN A 25 -10.915 6.913 -0.662 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.329 8.941 0.481 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -11.178 6.937 1.424 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.765 7.016 2.470 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.563 8.501 3.228 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -10.091 9.371 2.826 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -12.469 8.192 0.460 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -12.958 9.762 -0.051 1.00 0.00 H +ATOM 430 N LEU A 26 -7.982 6.005 0.200 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.703 5.313 0.180 1.00 0.00 C +ATOM 432 C LEU A 26 -5.763 5.963 -0.828 1.00 0.00 C +ATOM 433 O LEU A 26 -4.586 6.160 -0.546 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.886 3.835 -0.144 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.667 3.002 0.884 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.794 1.574 0.415 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.990 3.049 2.250 1.00 0.00 C +ATOM 438 H LEU A 26 -8.791 5.540 -0.107 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.263 5.408 1.162 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.406 3.787 -1.090 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.909 3.396 -0.276 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.667 3.398 0.985 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -6.809 1.146 0.296 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.316 1.550 -0.531 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.349 1.001 1.143 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -6.975 4.066 2.616 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -5.977 2.686 2.162 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -7.532 2.424 2.944 1.00 0.00 H +ATOM 449 N LYS A 27 -6.299 6.303 -1.996 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.552 6.993 -3.044 1.00 0.00 C +ATOM 451 C LYS A 27 -4.977 8.306 -2.518 1.00 0.00 C +ATOM 452 O LYS A 27 -3.826 8.646 -2.797 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.460 7.298 -4.222 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.731 7.945 -5.384 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.682 8.460 -6.445 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.457 9.671 -5.958 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.351 10.198 -6.995 1.00 0.00 N +ATOM 458 H LYS A 27 -7.231 6.040 -2.184 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.748 6.354 -3.374 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.909 6.376 -4.560 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.238 7.961 -3.880 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.173 8.778 -4.982 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -5.050 7.228 -5.816 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -6.117 8.740 -7.321 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.379 7.675 -6.701 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -8.047 9.400 -5.096 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.749 10.440 -5.682 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -9.078 9.510 -7.275 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -7.831 10.478 -7.850 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -8.845 11.050 -6.662 1.00 0.00 H +ATOM 471 N LYS A 28 -5.798 9.037 -1.769 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.384 10.287 -1.141 1.00 0.00 C +ATOM 473 C LYS A 28 -4.183 10.058 -0.254 1.00 0.00 C +ATOM 474 O LYS A 28 -3.227 10.832 -0.283 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.515 10.889 -0.312 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.686 11.368 -1.112 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.777 11.870 -0.198 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.945 12.401 -0.984 1.00 0.00 C +ATOM 479 NZ LYS A 28 -9.581 13.580 -1.809 1.00 0.00 N +ATOM 480 H LYS A 28 -6.723 8.722 -1.666 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.119 10.979 -1.925 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.888 10.142 0.372 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.132 11.725 0.254 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.368 12.170 -1.762 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -8.071 10.549 -1.702 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.117 11.057 0.426 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.384 12.659 0.425 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -10.271 11.601 -1.632 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.726 12.664 -0.289 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -8.893 13.341 -2.550 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -9.153 14.324 -1.218 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -10.421 14.000 -2.254 1.00 0.00 H +ATOM 493 N LYS A 29 -4.223 8.982 0.502 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.132 8.628 1.383 1.00 0.00 C +ATOM 495 C LYS A 29 -1.880 8.285 0.587 1.00 0.00 C +ATOM 496 O LYS A 29 -0.783 8.658 0.967 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.522 7.473 2.299 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.744 7.736 3.172 1.00 0.00 C +ATOM 499 CD LYS A 29 -4.532 8.904 4.121 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.758 9.123 4.987 1.00 0.00 C +ATOM 501 NZ LYS A 29 -5.568 10.225 5.957 1.00 0.00 N +ATOM 502 H LYS A 29 -5.021 8.412 0.459 1.00 0.00 H +ATOM 503 HA LYS A 29 -2.897 9.487 1.989 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -3.723 6.601 1.693 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.687 7.267 2.951 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -5.588 7.958 2.536 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -4.957 6.848 3.750 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -3.683 8.695 4.755 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -4.343 9.800 3.549 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.605 9.343 4.354 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.937 8.202 5.523 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -4.825 9.990 6.644 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -6.446 10.422 6.477 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -5.291 11.100 5.468 1.00 0.00 H +ATOM 515 N LEU A 30 -2.060 7.610 -0.535 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.955 7.232 -1.394 1.00 0.00 C +ATOM 517 C LEU A 30 -0.277 8.449 -2.000 1.00 0.00 C +ATOM 518 O LEU A 30 0.950 8.569 -1.965 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.434 6.300 -2.507 1.00 0.00 C +ATOM 520 CG LEU A 30 -2.040 4.978 -2.056 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.507 4.175 -3.250 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.037 4.192 -1.233 1.00 0.00 C +ATOM 523 H LEU A 30 -2.966 7.339 -0.794 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.234 6.700 -0.792 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.174 6.830 -3.089 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.593 6.081 -3.147 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.901 5.182 -1.435 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -2.931 3.240 -2.915 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -1.669 3.979 -3.902 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -3.256 4.736 -3.788 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -1.463 3.241 -0.955 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -0.816 4.757 -0.340 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.132 4.041 -1.803 1.00 0.00 H +ATOM 534 N VAL A 31 -1.067 9.366 -2.523 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.509 10.532 -3.170 1.00 0.00 C +ATOM 536 C VAL A 31 0.228 11.436 -2.162 1.00 0.00 C +ATOM 537 O VAL A 31 1.314 11.939 -2.456 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.562 11.322 -4.028 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -2.675 11.926 -3.191 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -0.894 12.382 -4.890 1.00 0.00 C +ATOM 541 H VAL A 31 -2.041 9.237 -2.474 1.00 0.00 H +ATOM 542 HA VAL A 31 0.252 10.145 -3.834 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.030 10.606 -4.690 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -3.179 11.137 -2.652 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -3.379 12.431 -3.835 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -2.254 12.629 -2.489 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -0.187 11.913 -5.558 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -0.383 13.091 -4.257 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -1.653 12.890 -5.467 1.00 0.00 H +ATOM 550 N GLU A 32 -0.344 11.622 -0.973 1.00 0.00 N +ATOM 551 CA GLU A 32 0.312 12.427 0.051 1.00 0.00 C +ATOM 552 C GLU A 32 1.553 11.729 0.610 1.00 0.00 C +ATOM 553 O GLU A 32 2.564 12.366 0.867 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.639 12.839 1.184 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.211 11.689 1.985 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.106 12.142 3.093 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -1.600 12.430 4.196 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -3.323 12.225 2.888 1.00 0.00 O +ATOM 559 H GLU A 32 -1.216 11.211 -0.784 1.00 0.00 H +ATOM 560 HA GLU A 32 0.657 13.319 -0.452 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.106 13.484 1.865 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.458 13.396 0.754 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -1.780 11.065 1.312 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.395 11.114 2.398 1.00 0.00 H +ATOM 565 N VAL A 33 1.476 10.411 0.765 1.00 0.00 N +ATOM 566 CA VAL A 33 2.556 9.652 1.359 1.00 0.00 C +ATOM 567 C VAL A 33 3.817 9.709 0.498 1.00 0.00 C +ATOM 568 O VAL A 33 4.897 9.662 1.008 1.00 0.00 O +ATOM 569 CB VAL A 33 2.168 8.186 1.748 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.222 7.213 0.577 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.991 7.697 2.927 1.00 0.00 C +ATOM 572 H VAL A 33 0.663 9.932 0.487 1.00 0.00 H +ATOM 573 HA VAL A 33 2.799 10.192 2.264 1.00 0.00 H +ATOM 574 HB VAL A 33 1.136 8.221 2.065 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.911 6.233 0.904 1.00 0.00 H +ATOM 576 HG12 VAL A 33 3.236 7.163 0.205 1.00 0.00 H +ATOM 577 HG13 VAL A 33 1.572 7.560 -0.213 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.698 6.689 3.179 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.832 8.345 3.776 1.00 0.00 H +ATOM 580 HG23 VAL A 33 4.032 7.709 2.648 1.00 0.00 H +ATOM 581 N LEU A 34 3.643 9.837 -0.815 1.00 0.00 N +ATOM 582 CA LEU A 34 4.756 9.895 -1.773 1.00 0.00 C +ATOM 583 C LEU A 34 5.796 10.987 -1.458 1.00 0.00 C +ATOM 584 O LEU A 34 6.957 10.839 -1.838 1.00 0.00 O +ATOM 585 CB LEU A 34 4.234 10.117 -3.200 1.00 0.00 C +ATOM 586 CG LEU A 34 3.427 8.981 -3.824 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.884 9.403 -5.178 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.287 7.740 -3.972 1.00 0.00 C +ATOM 589 H LEU A 34 2.723 9.862 -1.154 1.00 0.00 H +ATOM 590 HA LEU A 34 5.255 8.939 -1.753 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.608 10.996 -3.187 1.00 0.00 H +ATOM 592 HB3 LEU A 34 5.084 10.317 -3.836 1.00 0.00 H +ATOM 593 HG LEU A 34 2.591 8.742 -3.185 1.00 0.00 H +ATOM 594 HD11 LEU A 34 2.242 10.264 -5.057 1.00 0.00 H +ATOM 595 HD12 LEU A 34 2.319 8.592 -5.611 1.00 0.00 H +ATOM 596 HD13 LEU A 34 3.705 9.659 -5.829 1.00 0.00 H +ATOM 597 HD21 LEU A 34 3.730 6.972 -4.487 1.00 0.00 H +ATOM 598 HD22 LEU A 34 4.574 7.375 -2.998 1.00 0.00 H +ATOM 599 HD23 LEU A 34 5.170 7.982 -4.543 1.00 0.00 H +ATOM 600 N GLU A 35 5.404 12.067 -0.774 1.00 0.00 N +ATOM 601 CA GLU A 35 6.372 13.115 -0.472 1.00 0.00 C +ATOM 602 C GLU A 35 7.251 12.768 0.739 1.00 0.00 C +ATOM 603 O GLU A 35 8.416 13.172 0.820 1.00 0.00 O +ATOM 604 CB GLU A 35 5.710 14.505 -0.385 1.00 0.00 C +ATOM 605 CG GLU A 35 4.539 14.649 0.586 1.00 0.00 C +ATOM 606 CD GLU A 35 4.932 14.652 2.039 1.00 0.00 C +ATOM 607 OE1 GLU A 35 5.861 15.392 2.416 1.00 0.00 O +ATOM 608 OE2 GLU A 35 4.316 13.914 2.837 1.00 0.00 O +ATOM 609 H GLU A 35 4.475 12.157 -0.466 1.00 0.00 H +ATOM 610 HA GLU A 35 7.043 13.110 -1.320 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.463 15.221 -0.091 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.364 14.770 -1.373 1.00 0.00 H +ATOM 613 HG2 GLU A 35 3.992 15.552 0.370 1.00 0.00 H +ATOM 614 HG3 GLU A 35 3.878 13.806 0.433 1.00 0.00 H +ATOM 615 N SER A 36 6.700 12.005 1.644 1.00 0.00 N +ATOM 616 CA SER A 36 7.410 11.536 2.809 1.00 0.00 C +ATOM 617 C SER A 36 6.963 10.111 3.113 1.00 0.00 C +ATOM 618 O SER A 36 6.169 9.893 4.010 1.00 0.00 O +ATOM 619 CB SER A 36 7.159 12.451 4.031 1.00 0.00 C +ATOM 620 OG SER A 36 7.553 13.808 3.784 1.00 0.00 O +ATOM 621 H SER A 36 5.774 11.706 1.521 1.00 0.00 H +ATOM 622 HA SER A 36 8.468 11.500 2.598 1.00 0.00 H +ATOM 623 HB2 SER A 36 6.104 12.441 4.266 1.00 0.00 H +ATOM 624 HB3 SER A 36 7.718 12.074 4.875 1.00 0.00 H +ATOM 625 HG SER A 36 6.902 14.197 3.174 1.00 0.00 H +ATOM 626 N PRO A 37 7.381 9.119 2.293 1.00 0.00 N +ATOM 627 CA PRO A 37 6.977 7.736 2.503 1.00 0.00 C +ATOM 628 C PRO A 37 7.676 7.111 3.682 1.00 0.00 C +ATOM 629 O PRO A 37 7.131 6.246 4.335 1.00 0.00 O +ATOM 630 CB PRO A 37 7.358 7.038 1.199 1.00 0.00 C +ATOM 631 CG PRO A 37 8.467 7.855 0.658 1.00 0.00 C +ATOM 632 CD PRO A 37 8.172 9.274 1.053 1.00 0.00 C +ATOM 633 HA PRO A 37 5.914 7.662 2.659 1.00 0.00 H +ATOM 634 HB2 PRO A 37 7.666 6.023 1.401 1.00 0.00 H +ATOM 635 HB3 PRO A 37 6.509 7.038 0.531 1.00 0.00 H +ATOM 636 HG2 PRO A 37 9.402 7.532 1.096 1.00 0.00 H +ATOM 637 HG3 PRO A 37 8.507 7.763 -0.417 1.00 0.00 H +ATOM 638 HD2 PRO A 37 9.081 9.830 1.232 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.568 9.749 0.291 1.00 0.00 H +ATOM 640 N ARG A 38 8.866 7.595 3.975 1.00 0.00 N +ATOM 641 CA ARG A 38 9.662 7.084 5.078 1.00 0.00 C +ATOM 642 C ARG A 38 9.233 7.617 6.438 1.00 0.00 C +ATOM 643 O ARG A 38 9.929 8.406 7.073 1.00 0.00 O +ATOM 644 CB ARG A 38 11.188 7.197 4.828 1.00 0.00 C +ATOM 645 CG ARG A 38 11.618 8.352 3.919 1.00 0.00 C +ATOM 646 CD ARG A 38 11.271 9.732 4.459 1.00 0.00 C +ATOM 647 NE ARG A 38 11.523 10.739 3.437 1.00 0.00 N +ATOM 648 CZ ARG A 38 11.094 12.001 3.431 1.00 0.00 C +ATOM 649 NH1 ARG A 38 10.496 12.520 4.498 1.00 0.00 N +ATOM 650 NH2 ARG A 38 11.300 12.750 2.353 1.00 0.00 N +ATOM 651 H ARG A 38 9.191 8.336 3.426 1.00 0.00 H +ATOM 652 HA ARG A 38 9.416 6.031 5.109 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.678 7.328 5.781 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.532 6.272 4.391 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.686 8.306 3.774 1.00 0.00 H +ATOM 656 HG3 ARG A 38 11.134 8.222 2.962 1.00 0.00 H +ATOM 657 HD2 ARG A 38 10.226 9.751 4.730 1.00 0.00 H +ATOM 658 HD3 ARG A 38 11.879 9.946 5.326 1.00 0.00 H +ATOM 659 HE ARG A 38 12.027 10.411 2.657 1.00 0.00 H +ATOM 660 HH11 ARG A 38 10.340 12.006 5.346 1.00 0.00 H +ATOM 661 HH12 ARG A 38 10.173 13.468 4.496 1.00 0.00 H +ATOM 662 HH21 ARG A 38 11.776 12.373 1.552 1.00 0.00 H +ATOM 663 HH22 ARG A 38 10.978 13.699 2.285 1.00 0.00 H +ATOM 664 N ILE A 39 8.049 7.234 6.816 1.00 0.00 N +ATOM 665 CA ILE A 39 7.479 7.546 8.105 1.00 0.00 C +ATOM 666 C ILE A 39 7.565 6.289 8.960 1.00 0.00 C +ATOM 667 O ILE A 39 6.922 5.279 8.645 1.00 0.00 O +ATOM 668 CB ILE A 39 5.988 7.979 7.964 1.00 0.00 C +ATOM 669 CG1 ILE A 39 5.878 9.205 7.049 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.380 8.283 9.333 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.455 9.630 6.733 1.00 0.00 C +ATOM 672 H ILE A 39 7.527 6.710 6.166 1.00 0.00 H +ATOM 673 HA ILE A 39 8.051 8.343 8.557 1.00 0.00 H +ATOM 674 HB ILE A 39 5.438 7.162 7.521 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.369 10.042 7.523 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.377 8.990 6.116 1.00 0.00 H +ATOM 677 HG21 ILE A 39 5.452 7.408 9.961 1.00 0.00 H +ATOM 678 HG22 ILE A 39 4.342 8.555 9.211 1.00 0.00 H +ATOM 679 HG23 ILE A 39 5.916 9.102 9.789 1.00 0.00 H +ATOM 680 HD11 ILE A 39 3.938 9.871 7.648 1.00 0.00 H +ATOM 681 HD12 ILE A 39 3.942 8.824 6.230 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.471 10.497 6.088 1.00 0.00 H +ATOM 683 N GLU A 40 8.349 6.344 10.033 1.00 0.00 N +ATOM 684 CA GLU A 40 8.578 5.174 10.897 1.00 0.00 C +ATOM 685 C GLU A 40 7.277 4.642 11.508 1.00 0.00 C +ATOM 686 O GLU A 40 7.132 3.447 11.735 1.00 0.00 O +ATOM 687 CB GLU A 40 9.587 5.487 12.000 1.00 0.00 C +ATOM 688 CG GLU A 40 9.159 6.595 12.934 1.00 0.00 C +ATOM 689 CD GLU A 40 10.111 6.775 14.067 1.00 0.00 C +ATOM 690 OE1 GLU A 40 9.965 6.088 15.094 1.00 0.00 O +ATOM 691 OE2 GLU A 40 11.022 7.608 13.962 1.00 0.00 O +ATOM 692 H GLU A 40 8.792 7.193 10.252 1.00 0.00 H +ATOM 693 HA GLU A 40 8.994 4.403 10.267 1.00 0.00 H +ATOM 694 HB2 GLU A 40 9.747 4.595 12.589 1.00 0.00 H +ATOM 695 HB3 GLU A 40 10.522 5.771 11.541 1.00 0.00 H +ATOM 696 HG2 GLU A 40 9.111 7.519 12.376 1.00 0.00 H +ATOM 697 HG3 GLU A 40 8.182 6.360 13.328 1.00 0.00 H +ATOM 698 N ALA A 41 6.318 5.536 11.696 1.00 0.00 N +ATOM 699 CA ALA A 41 5.038 5.203 12.306 1.00 0.00 C +ATOM 700 C ALA A 41 4.218 4.234 11.450 1.00 0.00 C +ATOM 701 O ALA A 41 3.302 3.564 11.948 1.00 0.00 O +ATOM 702 CB ALA A 41 4.245 6.472 12.570 1.00 0.00 C +ATOM 703 H ALA A 41 6.497 6.459 11.419 1.00 0.00 H +ATOM 704 HA ALA A 41 5.242 4.736 13.258 1.00 0.00 H +ATOM 705 HB1 ALA A 41 4.000 6.944 11.630 1.00 0.00 H +ATOM 706 HB2 ALA A 41 4.835 7.151 13.166 1.00 0.00 H +ATOM 707 HB3 ALA A 41 3.334 6.225 13.095 1.00 0.00 H +ATOM 708 N ASN A 42 4.541 4.139 10.180 1.00 0.00 N +ATOM 709 CA ASN A 42 3.792 3.263 9.296 1.00 0.00 C +ATOM 710 C ASN A 42 4.576 2.029 8.925 1.00 0.00 C +ATOM 711 O ASN A 42 4.052 1.156 8.236 1.00 0.00 O +ATOM 712 CB ASN A 42 3.316 3.984 8.024 1.00 0.00 C +ATOM 713 CG ASN A 42 2.243 5.019 8.277 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.458 4.910 9.217 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.185 6.022 7.437 1.00 0.00 N +ATOM 716 H ASN A 42 5.304 4.649 9.830 1.00 0.00 H +ATOM 717 HA ASN A 42 2.919 2.943 9.845 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.155 4.497 7.579 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.932 3.254 7.326 1.00 0.00 H +ATOM 720 HD21 ASN A 42 2.826 6.058 6.698 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.480 6.690 7.578 1.00 0.00 H +ATOM 722 N LYS A 43 5.814 1.931 9.396 1.00 0.00 N +ATOM 723 CA LYS A 43 6.658 0.810 9.017 1.00 0.00 C +ATOM 724 C LYS A 43 6.268 -0.452 9.728 1.00 0.00 C +ATOM 725 O LYS A 43 5.908 -0.451 10.933 1.00 0.00 O +ATOM 726 CB LYS A 43 8.164 1.070 9.220 1.00 0.00 C +ATOM 727 CG LYS A 43 8.666 2.294 8.503 1.00 0.00 C +ATOM 728 CD LYS A 43 10.189 2.370 8.383 1.00 0.00 C +ATOM 729 CE LYS A 43 10.707 1.429 7.287 1.00 0.00 C +ATOM 730 NZ LYS A 43 12.150 1.613 7.014 1.00 0.00 N +ATOM 731 H LYS A 43 6.150 2.599 10.030 1.00 0.00 H +ATOM 732 HA LYS A 43 6.487 0.648 7.963 1.00 0.00 H +ATOM 733 HB2 LYS A 43 8.351 1.200 10.276 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.717 0.211 8.869 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.263 2.253 7.502 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.287 3.175 8.995 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.470 3.384 8.140 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.630 2.089 9.328 1.00 0.00 H +ATOM 739 HE2 LYS A 43 10.543 0.409 7.598 1.00 0.00 H +ATOM 740 HE3 LYS A 43 10.150 1.617 6.380 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 12.427 1.144 6.122 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 12.725 1.193 7.771 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.396 2.620 6.939 1.00 0.00 H +ATOM 744 N LEU A 44 6.305 -1.512 8.983 1.00 0.00 N +ATOM 745 CA LEU A 44 6.075 -2.816 9.494 1.00 0.00 C +ATOM 746 C LEU A 44 7.332 -3.289 10.204 1.00 0.00 C +ATOM 747 O LEU A 44 8.443 -2.909 9.823 1.00 0.00 O +ATOM 748 CB LEU A 44 5.671 -3.756 8.364 1.00 0.00 C +ATOM 749 CG LEU A 44 4.321 -3.455 7.707 1.00 0.00 C +ATOM 750 CD1 LEU A 44 4.051 -4.403 6.563 1.00 0.00 C +ATOM 751 CD2 LEU A 44 3.209 -3.561 8.720 1.00 0.00 C +ATOM 752 H LEU A 44 6.501 -1.397 8.026 1.00 0.00 H +ATOM 753 HA LEU A 44 5.267 -2.752 10.208 1.00 0.00 H +ATOM 754 HB2 LEU A 44 6.426 -3.668 7.598 1.00 0.00 H +ATOM 755 HB3 LEU A 44 5.659 -4.771 8.730 1.00 0.00 H +ATOM 756 HG LEU A 44 4.324 -2.447 7.320 1.00 0.00 H +ATOM 757 HD11 LEU A 44 4.837 -4.335 5.827 1.00 0.00 H +ATOM 758 HD12 LEU A 44 3.110 -4.130 6.108 1.00 0.00 H +ATOM 759 HD13 LEU A 44 3.983 -5.413 6.939 1.00 0.00 H +ATOM 760 HD21 LEU A 44 3.209 -4.551 9.154 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.272 -3.397 8.212 1.00 0.00 H +ATOM 762 HD23 LEU A 44 3.336 -2.819 9.494 1.00 0.00 H +ATOM 763 N ARG A 45 7.141 -4.109 11.209 1.00 0.00 N +ATOM 764 CA ARG A 45 8.197 -4.549 12.106 1.00 0.00 C +ATOM 765 C ARG A 45 9.286 -5.313 11.370 1.00 0.00 C +ATOM 766 O ARG A 45 10.433 -4.864 11.282 1.00 0.00 O +ATOM 767 CB ARG A 45 7.598 -5.448 13.175 1.00 0.00 C +ATOM 768 CG ARG A 45 6.491 -4.814 13.983 1.00 0.00 C +ATOM 769 CD ARG A 45 5.876 -5.833 14.906 1.00 0.00 C +ATOM 770 NE ARG A 45 4.760 -5.291 15.673 1.00 0.00 N +ATOM 771 CZ ARG A 45 3.835 -6.033 16.293 1.00 0.00 C +ATOM 772 NH1 ARG A 45 3.868 -7.366 16.210 1.00 0.00 N +ATOM 773 NH2 ARG A 45 2.888 -5.446 16.999 1.00 0.00 N +ATOM 774 H ARG A 45 6.241 -4.468 11.350 1.00 0.00 H +ATOM 775 HA ARG A 45 8.622 -3.685 12.593 1.00 0.00 H +ATOM 776 HB2 ARG A 45 7.202 -6.334 12.701 1.00 0.00 H +ATOM 777 HB3 ARG A 45 8.383 -5.742 13.851 1.00 0.00 H +ATOM 778 HG2 ARG A 45 6.897 -4.002 14.569 1.00 0.00 H +ATOM 779 HG3 ARG A 45 5.732 -4.437 13.315 1.00 0.00 H +ATOM 780 HD2 ARG A 45 5.513 -6.657 14.310 1.00 0.00 H +ATOM 781 HD3 ARG A 45 6.637 -6.188 15.587 1.00 0.00 H +ATOM 782 HE ARG A 45 4.734 -4.306 15.725 1.00 0.00 H +ATOM 783 HH11 ARG A 45 4.576 -7.853 15.691 1.00 0.00 H +ATOM 784 HH12 ARG A 45 3.184 -7.929 16.678 1.00 0.00 H +ATOM 785 HH21 ARG A 45 2.840 -4.449 17.098 1.00 0.00 H +ATOM 786 HH22 ARG A 45 2.170 -5.972 17.463 1.00 0.00 H +ATOM 787 N GLY A 46 8.925 -6.450 10.838 1.00 0.00 N +ATOM 788 CA GLY A 46 9.885 -7.280 10.174 1.00 0.00 C +ATOM 789 C GLY A 46 9.590 -7.399 8.724 1.00 0.00 C +ATOM 790 O GLY A 46 9.311 -8.486 8.233 1.00 0.00 O +ATOM 791 H GLY A 46 7.985 -6.721 10.888 1.00 0.00 H +ATOM 792 HA2 GLY A 46 10.865 -6.846 10.297 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.873 -8.264 10.620 1.00 0.00 H +ATOM 794 N MET A 47 9.613 -6.287 8.038 1.00 0.00 N +ATOM 795 CA MET A 47 9.337 -6.244 6.615 1.00 0.00 C +ATOM 796 C MET A 47 10.274 -5.247 5.953 1.00 0.00 C +ATOM 797 O MET A 47 10.558 -4.186 6.538 1.00 0.00 O +ATOM 798 CB MET A 47 7.881 -5.837 6.347 1.00 0.00 C +ATOM 799 CG MET A 47 6.817 -6.829 6.819 1.00 0.00 C +ATOM 800 SD MET A 47 6.863 -8.412 5.950 1.00 0.00 S +ATOM 801 CE MET A 47 6.488 -7.897 4.271 1.00 0.00 C +ATOM 802 H MET A 47 9.855 -5.449 8.490 1.00 0.00 H +ATOM 803 HA MET A 47 9.514 -7.228 6.208 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.715 -4.900 6.855 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.758 -5.675 5.286 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.969 -7.019 7.871 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.844 -6.383 6.676 1.00 0.00 H +ATOM 808 HE1 MET A 47 7.231 -7.194 3.925 1.00 0.00 H +ATOM 809 HE2 MET A 47 5.513 -7.434 4.249 1.00 0.00 H +ATOM 810 HE3 MET A 47 6.484 -8.763 3.627 1.00 0.00 H +ATOM 811 N PRO A 48 10.776 -5.563 4.747 1.00 0.00 N +ATOM 812 CA PRO A 48 11.702 -4.691 4.013 1.00 0.00 C +ATOM 813 C PRO A 48 11.031 -3.406 3.502 1.00 0.00 C +ATOM 814 O PRO A 48 10.345 -3.414 2.462 1.00 0.00 O +ATOM 815 CB PRO A 48 12.177 -5.565 2.847 1.00 0.00 C +ATOM 816 CG PRO A 48 11.091 -6.567 2.648 1.00 0.00 C +ATOM 817 CD PRO A 48 10.494 -6.812 4.003 1.00 0.00 C +ATOM 818 HA PRO A 48 12.543 -4.419 4.633 1.00 0.00 H +ATOM 819 HB2 PRO A 48 12.322 -4.955 1.967 1.00 0.00 H +ATOM 820 HB3 PRO A 48 13.103 -6.047 3.118 1.00 0.00 H +ATOM 821 HG2 PRO A 48 10.342 -6.174 1.976 1.00 0.00 H +ATOM 822 HG3 PRO A 48 11.506 -7.483 2.255 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.430 -6.977 3.922 1.00 0.00 H +ATOM 824 HD3 PRO A 48 10.969 -7.657 4.479 1.00 0.00 H +ATOM 825 N ASP A 49 11.177 -2.330 4.296 1.00 0.00 N +ATOM 826 CA ASP A 49 10.625 -0.988 4.008 1.00 0.00 C +ATOM 827 C ASP A 49 9.173 -1.045 3.606 1.00 0.00 C +ATOM 828 O ASP A 49 8.743 -0.393 2.654 1.00 0.00 O +ATOM 829 CB ASP A 49 11.447 -0.203 2.964 1.00 0.00 C +ATOM 830 CG ASP A 49 12.799 0.249 3.477 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.857 1.025 4.466 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.834 -0.131 2.884 1.00 0.00 O +ATOM 833 H ASP A 49 11.680 -2.453 5.129 1.00 0.00 H +ATOM 834 HA ASP A 49 10.665 -0.450 4.944 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.601 -0.827 2.096 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.884 0.669 2.666 1.00 0.00 H +ATOM 837 N CYS A 50 8.415 -1.816 4.327 1.00 0.00 N +ATOM 838 CA CYS A 50 7.022 -1.942 4.040 1.00 0.00 C +ATOM 839 C CYS A 50 6.241 -1.085 5.002 1.00 0.00 C +ATOM 840 O CYS A 50 6.597 -0.979 6.187 1.00 0.00 O +ATOM 841 CB CYS A 50 6.588 -3.394 4.121 1.00 0.00 C +ATOM 842 SG CYS A 50 7.534 -4.509 3.052 1.00 0.00 S +ATOM 843 H CYS A 50 8.802 -2.295 5.087 1.00 0.00 H +ATOM 844 HA CYS A 50 6.850 -1.574 3.042 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.714 -3.734 5.138 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.548 -3.468 3.841 1.00 0.00 H +ATOM 847 HG CYS A 50 8.631 -3.868 2.660 1.00 0.00 H +ATOM 848 N TYR A 51 5.206 -0.477 4.511 1.00 0.00 N +ATOM 849 CA TYR A 51 4.408 0.430 5.287 1.00 0.00 C +ATOM 850 C TYR A 51 2.962 0.066 5.124 1.00 0.00 C +ATOM 851 O TYR A 51 2.578 -0.570 4.124 1.00 0.00 O +ATOM 852 CB TYR A 51 4.608 1.891 4.829 1.00 0.00 C +ATOM 853 CG TYR A 51 6.031 2.416 4.885 1.00 0.00 C +ATOM 854 CD1 TYR A 51 6.985 2.009 3.968 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.411 3.326 5.842 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.273 2.484 4.014 1.00 0.00 C +ATOM 857 CE2 TYR A 51 7.697 3.809 5.888 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.623 3.381 4.973 1.00 0.00 C +ATOM 859 OH TYR A 51 9.913 3.852 5.030 1.00 0.00 O +ATOM 860 H TYR A 51 4.936 -0.655 3.579 1.00 0.00 H +ATOM 861 HA TYR A 51 4.694 0.346 6.325 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.259 2.003 3.813 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.008 2.517 5.476 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.706 1.294 3.209 1.00 0.00 H +ATOM 865 HD2 TYR A 51 5.685 3.663 6.567 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.000 2.150 3.289 1.00 0.00 H +ATOM 867 HE2 TYR A 51 7.975 4.523 6.651 1.00 0.00 H +ATOM 868 HH TYR A 51 10.222 4.018 4.133 1.00 0.00 H +ATOM 869 N LYS A 52 2.175 0.447 6.081 1.00 0.00 N +ATOM 870 CA LYS A 52 0.767 0.193 6.054 1.00 0.00 C +ATOM 871 C LYS A 52 -0.009 1.486 6.244 1.00 0.00 C +ATOM 872 O LYS A 52 0.364 2.342 7.049 1.00 0.00 O +ATOM 873 CB LYS A 52 0.390 -0.830 7.145 1.00 0.00 C +ATOM 874 CG LYS A 52 0.903 -0.463 8.536 1.00 0.00 C +ATOM 875 CD LYS A 52 0.513 -1.488 9.584 1.00 0.00 C +ATOM 876 CE LYS A 52 1.227 -1.212 10.896 1.00 0.00 C +ATOM 877 NZ LYS A 52 0.894 -2.208 11.936 1.00 0.00 N +ATOM 878 H LYS A 52 2.553 0.934 6.844 1.00 0.00 H +ATOM 879 HA LYS A 52 0.518 -0.227 5.091 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.686 -0.911 7.190 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.802 -1.791 6.875 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.980 -0.396 8.502 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.494 0.499 8.810 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -0.553 -1.432 9.748 1.00 0.00 H +ATOM 885 HD3 LYS A 52 0.771 -2.480 9.243 1.00 0.00 H +ATOM 886 HE2 LYS A 52 2.292 -1.238 10.720 1.00 0.00 H +ATOM 887 HE3 LYS A 52 0.951 -0.227 11.235 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 1.335 -1.960 12.845 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 1.219 -3.165 11.689 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 -0.131 -2.259 12.094 1.00 0.00 H +ATOM 891 N ILE A 53 -1.063 1.616 5.502 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.965 2.729 5.611 1.00 0.00 C +ATOM 893 C ILE A 53 -3.264 2.199 6.152 1.00 0.00 C +ATOM 894 O ILE A 53 -3.704 1.107 5.768 1.00 0.00 O +ATOM 895 CB ILE A 53 -2.202 3.432 4.234 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.905 4.090 3.749 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -3.343 4.464 4.307 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -1.023 4.767 2.401 1.00 0.00 C +ATOM 899 H ILE A 53 -1.251 0.915 4.838 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.546 3.435 6.312 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.491 2.674 3.522 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.607 4.841 4.466 1.00 0.00 H +ATOM 903 HG13 ILE A 53 -0.134 3.338 3.685 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -3.492 4.912 3.336 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -3.095 5.242 5.014 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -4.256 3.980 4.622 1.00 0.00 H +ATOM 907 HD11 ILE A 53 -1.273 4.026 1.657 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -0.092 5.252 2.146 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -1.810 5.505 2.442 1.00 0.00 H +ATOM 910 N LYS A 54 -3.855 2.928 7.040 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.069 2.524 7.656 1.00 0.00 C +ATOM 912 C LYS A 54 -6.116 3.607 7.498 1.00 0.00 C +ATOM 913 O LYS A 54 -5.896 4.766 7.862 1.00 0.00 O +ATOM 914 CB LYS A 54 -4.879 2.123 9.151 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.314 3.211 10.065 1.00 0.00 C +ATOM 916 CD LYS A 54 -2.822 3.455 9.873 1.00 0.00 C +ATOM 917 CE LYS A 54 -2.409 4.695 10.620 1.00 0.00 C +ATOM 918 NZ LYS A 54 -0.977 5.027 10.446 1.00 0.00 N +ATOM 919 H LYS A 54 -3.484 3.808 7.273 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.400 1.657 7.111 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.837 1.826 9.551 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.216 1.271 9.193 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.835 4.133 9.849 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -4.503 2.939 11.092 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -2.275 2.609 10.265 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -2.601 3.576 8.825 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -3.014 5.491 10.218 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -2.639 4.553 11.665 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -0.363 4.256 10.772 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -0.724 5.860 11.014 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -0.727 5.240 9.459 1.00 0.00 H +ATOM 932 N LEU A 55 -7.228 3.239 6.921 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.327 4.138 6.726 1.00 0.00 C +ATOM 934 C LEU A 55 -9.108 4.164 8.041 1.00 0.00 C +ATOM 935 O LEU A 55 -10.005 3.333 8.275 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.206 3.642 5.558 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.852 4.703 4.646 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -10.644 4.032 3.545 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -10.739 5.672 5.409 1.00 0.00 C +ATOM 940 H LEU A 55 -7.320 2.308 6.613 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.935 5.120 6.509 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.597 3.001 4.938 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.996 3.039 5.981 1.00 0.00 H +ATOM 944 HG LEU A 55 -9.063 5.263 4.165 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -11.084 4.781 2.906 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -11.428 3.431 3.982 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -9.989 3.403 2.962 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.151 6.379 4.703 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -10.153 6.197 6.149 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -11.542 5.131 5.888 1.00 0.00 H +ATOM 951 N ARG A 56 -8.728 5.105 8.886 1.00 0.00 N +ATOM 952 CA ARG A 56 -9.202 5.264 10.278 1.00 0.00 C +ATOM 953 C ARG A 56 -10.700 5.550 10.377 1.00 0.00 C +ATOM 954 O ARG A 56 -11.263 5.582 11.476 1.00 0.00 O +ATOM 955 CB ARG A 56 -8.417 6.409 10.942 1.00 0.00 C +ATOM 956 CG ARG A 56 -6.910 6.174 11.027 1.00 0.00 C +ATOM 957 CD ARG A 56 -6.540 5.170 12.111 1.00 0.00 C +ATOM 958 NE ARG A 56 -6.768 5.726 13.449 1.00 0.00 N +ATOM 959 CZ ARG A 56 -6.379 5.179 14.606 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -5.767 3.999 14.636 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -6.590 5.836 15.739 1.00 0.00 N +ATOM 962 H ARG A 56 -8.064 5.744 8.544 1.00 0.00 H +ATOM 963 HA ARG A 56 -8.978 4.357 10.817 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -8.585 7.316 10.377 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -8.793 6.549 11.944 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -6.562 5.799 10.075 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -6.424 7.116 11.240 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -7.142 4.281 11.991 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -5.496 4.913 12.013 1.00 0.00 H +ATOM 970 HE ARG A 56 -7.217 6.601 13.467 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -5.565 3.459 13.815 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -5.456 3.598 15.502 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -7.035 6.737 15.741 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -6.294 5.459 16.621 1.00 0.00 H +ATOM 975 N SER A 57 -11.318 5.788 9.266 1.00 0.00 N +ATOM 976 CA SER A 57 -12.720 6.088 9.223 1.00 0.00 C +ATOM 977 C SER A 57 -13.557 4.855 8.822 1.00 0.00 C +ATOM 978 O SER A 57 -14.776 4.835 9.010 1.00 0.00 O +ATOM 979 CB SER A 57 -12.919 7.219 8.227 1.00 0.00 C +ATOM 980 OG SER A 57 -12.023 8.287 8.516 1.00 0.00 O +ATOM 981 H SER A 57 -10.810 5.804 8.430 1.00 0.00 H +ATOM 982 HA SER A 57 -13.030 6.437 10.197 1.00 0.00 H +ATOM 983 HB2 SER A 57 -12.725 6.857 7.228 1.00 0.00 H +ATOM 984 HB3 SER A 57 -13.930 7.590 8.293 1.00 0.00 H +ATOM 985 HG SER A 57 -12.542 8.947 8.992 1.00 0.00 H +ATOM 986 N SER A 58 -12.912 3.812 8.326 1.00 0.00 N +ATOM 987 CA SER A 58 -13.668 2.689 7.822 1.00 0.00 C +ATOM 988 C SER A 58 -13.115 1.330 8.290 1.00 0.00 C +ATOM 989 O SER A 58 -13.888 0.411 8.576 1.00 0.00 O +ATOM 990 CB SER A 58 -13.755 2.767 6.286 1.00 0.00 C +ATOM 991 OG SER A 58 -14.610 1.768 5.762 1.00 0.00 O +ATOM 992 H SER A 58 -11.931 3.798 8.332 1.00 0.00 H +ATOM 993 HA SER A 58 -14.670 2.788 8.212 1.00 0.00 H +ATOM 994 HB2 SER A 58 -14.144 3.734 6.001 1.00 0.00 H +ATOM 995 HB3 SER A 58 -12.768 2.641 5.868 1.00 0.00 H +ATOM 996 HG SER A 58 -15.231 1.517 6.459 1.00 0.00 H +ATOM 997 N GLY A 59 -11.809 1.202 8.405 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.251 -0.078 8.786 1.00 0.00 C +ATOM 999 C GLY A 59 -10.672 -0.821 7.599 1.00 0.00 C +ATOM 1000 O GLY A 59 -10.681 -2.067 7.552 1.00 0.00 O +ATOM 1001 H GLY A 59 -11.209 1.970 8.275 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.467 0.082 9.512 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -12.029 -0.681 9.228 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.219 -0.069 6.625 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.536 -0.614 5.470 1.00 0.00 C +ATOM 1006 C TYR A 60 -8.066 -0.332 5.601 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.681 0.683 6.175 1.00 0.00 O +ATOM 1008 CB TYR A 60 -10.074 -0.045 4.160 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.398 -0.629 3.723 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.600 -0.138 4.203 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.438 -1.668 2.804 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.806 -0.664 3.779 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.635 -2.200 2.380 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.815 -1.692 2.869 1.00 0.00 C +ATOM 1015 OH TYR A 60 -15.011 -2.220 2.440 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.322 0.903 6.688 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.681 -1.684 5.486 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.211 1.020 4.271 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.354 -0.227 3.377 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.585 0.670 4.919 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.508 -2.064 2.422 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.735 -0.267 4.161 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.645 -3.008 1.664 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.638 -1.509 2.247 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.252 -1.227 5.119 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.821 -1.118 5.254 1.00 0.00 C +ATOM 1027 C ARG A 61 -5.148 -1.440 3.935 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.643 -2.261 3.161 1.00 0.00 O +ATOM 1029 CB ARG A 61 -5.359 -2.084 6.337 1.00 0.00 C +ATOM 1030 CG ARG A 61 -6.018 -1.816 7.676 1.00 0.00 C +ATOM 1031 CD ARG A 61 -5.833 -2.952 8.627 1.00 0.00 C +ATOM 1032 NE ARG A 61 -4.433 -3.146 9.016 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -4.028 -3.697 10.170 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -4.906 -4.079 11.093 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -2.749 -3.887 10.382 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.612 -2.002 4.633 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.572 -0.112 5.557 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.597 -3.090 6.028 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -4.289 -1.994 6.460 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -5.582 -0.928 8.108 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -7.075 -1.656 7.513 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -6.465 -2.794 9.486 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.171 -3.827 8.090 1.00 0.00 H +ATOM 1044 HE ARG A 61 -3.781 -2.858 8.341 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -5.904 -3.990 11.010 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -4.599 -4.503 11.949 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -2.039 -3.654 9.712 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -2.432 -4.266 11.257 1.00 0.00 H +ATOM 1049 N LEU A 62 -4.050 -0.800 3.685 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.299 -0.989 2.470 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.836 -1.200 2.855 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.316 -0.474 3.699 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.515 0.258 1.560 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.921 0.252 0.134 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.585 1.331 -0.702 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.437 0.518 0.160 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.707 -0.161 4.349 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.670 -1.872 1.973 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.579 0.415 1.465 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.111 1.111 2.085 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.098 -0.707 -0.329 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -4.644 1.136 -0.767 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.159 1.322 -1.695 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.421 2.294 -0.241 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.268 1.477 0.623 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.057 0.531 -0.851 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -0.936 -0.253 0.728 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.192 -2.202 2.274 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.197 -2.510 2.597 1.00 0.00 C +ATOM 1070 C VAL A 63 1.052 -2.443 1.332 1.00 0.00 C +ATOM 1071 O VAL A 63 0.720 -3.061 0.296 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.346 -3.917 3.262 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.801 -4.203 3.629 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.538 -4.032 4.501 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.632 -2.752 1.587 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.550 -1.758 3.287 1.00 0.00 H +ATOM 1077 HB VAL A 63 0.028 -4.661 2.545 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.151 -3.449 4.320 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.410 -4.182 2.739 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 1.876 -5.175 4.095 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.244 -3.280 5.218 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.422 -5.013 4.938 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -1.569 -3.880 4.220 1.00 0.00 H +ATOM 1084 N TYR A 64 2.128 -1.707 1.405 1.00 0.00 N +ATOM 1085 CA TYR A 64 3.009 -1.524 0.278 1.00 0.00 C +ATOM 1086 C TYR A 64 4.451 -1.570 0.715 1.00 0.00 C +ATOM 1087 O TYR A 64 4.751 -1.364 1.895 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.715 -0.195 -0.451 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.821 1.062 0.392 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.047 1.577 0.791 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.690 1.735 0.772 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.123 2.722 1.544 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.757 2.874 1.520 1.00 0.00 C +ATOM 1094 CZ TYR A 64 2.974 3.366 1.905 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.040 4.501 2.661 1.00 0.00 O +ATOM 1096 H TYR A 64 2.362 -1.278 2.262 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.832 -2.336 -0.411 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.388 -0.083 -1.285 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.705 -0.242 -0.830 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.952 1.063 0.501 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.731 1.345 0.471 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.084 3.110 1.847 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.844 3.380 1.792 1.00 0.00 H +ATOM 1104 HH TYR A 64 3.717 5.086 2.314 1.00 0.00 H +ATOM 1105 N GLN A 65 5.332 -1.843 -0.205 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.733 -1.799 0.080 1.00 0.00 C +ATOM 1107 C GLN A 65 7.328 -0.606 -0.658 1.00 0.00 C +ATOM 1108 O GLN A 65 6.933 -0.306 -1.794 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.458 -3.103 -0.312 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.593 -3.346 -1.806 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.448 -4.552 -2.118 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.956 -5.668 -2.302 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.741 -4.350 -2.117 1.00 0.00 N +ATOM 1114 H GLN A 65 5.029 -2.050 -1.119 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.843 -1.625 1.139 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.451 -3.084 0.111 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.919 -3.934 0.121 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.610 -3.506 -2.220 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 8.040 -2.475 -2.263 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 10.071 -3.450 -1.913 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 10.340 -5.101 -2.305 1.00 0.00 H +ATOM 1122 N VAL A 66 8.204 0.101 -0.025 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.847 1.218 -0.660 1.00 0.00 C +ATOM 1124 C VAL A 66 10.235 0.818 -1.060 1.00 0.00 C +ATOM 1125 O VAL A 66 11.085 0.556 -0.214 1.00 0.00 O +ATOM 1126 CB VAL A 66 8.906 2.478 0.253 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.650 3.626 -0.430 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.512 2.921 0.627 1.00 0.00 C +ATOM 1129 H VAL A 66 8.454 -0.126 0.901 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.288 1.458 -1.553 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.437 2.221 1.157 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 9.656 4.488 0.220 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 9.160 3.874 -1.360 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 10.666 3.321 -0.633 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.566 3.796 1.257 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.021 2.122 1.162 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 6.948 3.148 -0.264 1.00 0.00 H +ATOM 1138 N ILE A 67 10.464 0.735 -2.327 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.761 0.425 -2.811 1.00 0.00 C +ATOM 1140 C ILE A 67 12.411 1.752 -3.096 1.00 0.00 C +ATOM 1141 O ILE A 67 12.222 2.335 -4.174 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.702 -0.413 -4.113 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.753 -1.608 -3.930 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 13.104 -0.909 -4.468 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 10.491 -2.399 -5.197 1.00 0.00 C +ATOM 1146 H ILE A 67 9.746 0.932 -2.973 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.307 -0.107 -2.047 1.00 0.00 H +ATOM 1148 HB ILE A 67 11.338 0.211 -4.915 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 11.175 -2.286 -3.202 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.804 -1.244 -3.561 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 13.066 -1.469 -5.390 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 13.460 -1.557 -3.681 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.772 -0.068 -4.580 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 10.012 -1.760 -5.923 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.853 -3.242 -4.976 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 11.430 -2.750 -5.596 1.00 0.00 H +ATOM 1157 N ASP A 68 13.155 2.243 -2.136 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.740 3.580 -2.232 1.00 0.00 C +ATOM 1159 C ASP A 68 14.811 3.600 -3.284 1.00 0.00 C +ATOM 1160 O ASP A 68 14.957 4.564 -4.020 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.309 4.023 -0.894 1.00 0.00 C +ATOM 1162 CG ASP A 68 14.760 5.464 -0.920 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 15.900 5.747 -1.299 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 13.968 6.344 -0.539 1.00 0.00 O +ATOM 1165 H ASP A 68 13.310 1.700 -1.331 1.00 0.00 H +ATOM 1166 HA ASP A 68 12.954 4.261 -2.524 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 13.551 3.915 -0.132 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.156 3.401 -0.644 1.00 0.00 H +ATOM 1169 N GLU A 69 15.493 2.479 -3.388 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.565 2.270 -4.341 1.00 0.00 C +ATOM 1171 C GLU A 69 16.074 2.477 -5.781 1.00 0.00 C +ATOM 1172 O GLU A 69 16.796 3.004 -6.621 1.00 0.00 O +ATOM 1173 CB GLU A 69 17.111 0.861 -4.151 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.634 0.624 -2.744 1.00 0.00 C +ATOM 1175 CD GLU A 69 18.025 -0.802 -2.479 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 19.140 -1.215 -2.855 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 17.225 -1.541 -1.880 1.00 0.00 O +ATOM 1178 H GLU A 69 15.269 1.763 -2.760 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.353 2.978 -4.130 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 16.325 0.148 -4.352 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.921 0.704 -4.846 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 18.501 1.247 -2.588 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 16.866 0.907 -2.040 1.00 0.00 H +ATOM 1184 N LYS A 70 14.833 2.090 -6.044 1.00 0.00 N +ATOM 1185 CA LYS A 70 14.237 2.245 -7.375 1.00 0.00 C +ATOM 1186 C LYS A 70 13.263 3.421 -7.385 1.00 0.00 C +ATOM 1187 O LYS A 70 12.649 3.717 -8.416 1.00 0.00 O +ATOM 1188 CB LYS A 70 13.486 0.978 -7.775 1.00 0.00 C +ATOM 1189 CG LYS A 70 14.335 -0.271 -7.897 1.00 0.00 C +ATOM 1190 CD LYS A 70 13.450 -1.466 -8.204 1.00 0.00 C +ATOM 1191 CE LYS A 70 14.240 -2.754 -8.272 1.00 0.00 C +ATOM 1192 NZ LYS A 70 13.360 -3.913 -8.463 1.00 0.00 N +ATOM 1193 H LYS A 70 14.293 1.705 -5.323 1.00 0.00 H +ATOM 1194 HA LYS A 70 15.030 2.428 -8.085 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.745 0.779 -7.016 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.988 1.148 -8.718 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 15.049 -0.136 -8.696 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.854 -0.443 -6.965 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 12.695 -1.559 -7.439 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.970 -1.298 -9.157 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 14.928 -2.698 -9.102 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 14.796 -2.878 -7.354 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 13.909 -4.791 -8.525 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 12.778 -3.832 -9.319 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 12.698 -4.023 -7.666 1.00 0.00 H +ATOM 1206 N VAL A 71 13.125 4.051 -6.210 1.00 0.00 N +ATOM 1207 CA VAL A 71 12.237 5.200 -5.929 1.00 0.00 C +ATOM 1208 C VAL A 71 10.766 4.898 -6.311 1.00 0.00 C +ATOM 1209 O VAL A 71 10.011 5.752 -6.777 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.794 6.597 -6.478 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 12.802 6.735 -7.993 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 12.109 7.791 -5.818 1.00 0.00 C +ATOM 1213 H VAL A 71 13.650 3.720 -5.452 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.222 5.238 -4.847 1.00 0.00 H +ATOM 1215 HB VAL A 71 13.832 6.628 -6.184 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 11.792 6.653 -8.366 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 13.406 5.947 -8.419 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 13.213 7.697 -8.265 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 11.051 7.744 -6.021 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 12.515 8.709 -6.216 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 12.271 7.759 -4.750 1.00 0.00 H +ATOM 1222 N VAL A 72 10.350 3.683 -6.017 1.00 0.00 N +ATOM 1223 CA VAL A 72 9.006 3.247 -6.323 1.00 0.00 C +ATOM 1224 C VAL A 72 8.336 2.641 -5.087 1.00 0.00 C +ATOM 1225 O VAL A 72 8.963 1.926 -4.295 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.979 2.234 -7.535 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.814 0.998 -7.253 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 7.552 1.827 -7.909 1.00 0.00 C +ATOM 1229 H VAL A 72 10.956 3.070 -5.545 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.435 4.123 -6.601 1.00 0.00 H +ATOM 1231 HB VAL A 72 9.422 2.733 -8.384 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 9.417 0.487 -6.388 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 10.830 1.299 -7.053 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 9.785 0.338 -8.108 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.976 2.701 -8.176 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 7.084 1.337 -7.068 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 7.581 1.146 -8.747 1.00 0.00 H +ATOM 1238 N VAL A 73 7.098 2.977 -4.917 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.261 2.466 -3.884 1.00 0.00 C +ATOM 1240 C VAL A 73 5.363 1.425 -4.527 1.00 0.00 C +ATOM 1241 O VAL A 73 4.556 1.746 -5.410 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.402 3.600 -3.271 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.484 3.072 -2.193 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.281 4.713 -2.723 1.00 0.00 C +ATOM 1245 H VAL A 73 6.686 3.616 -5.536 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.874 2.013 -3.118 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.795 4.013 -4.062 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 3.913 3.888 -1.774 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 5.067 2.606 -1.412 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.808 2.347 -2.619 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 6.854 5.147 -3.530 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 6.960 4.309 -1.990 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 5.662 5.474 -2.271 1.00 0.00 H +ATOM 1254 N PHE A 74 5.518 0.208 -4.122 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.820 -0.886 -4.730 1.00 0.00 C +ATOM 1256 C PHE A 74 3.775 -1.442 -3.775 1.00 0.00 C +ATOM 1257 O PHE A 74 4.119 -2.004 -2.726 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.837 -1.967 -5.126 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.257 -3.149 -5.839 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 5.110 -3.137 -7.211 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 4.873 -4.276 -5.139 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.587 -4.228 -7.872 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.349 -5.363 -5.787 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.204 -5.344 -7.159 1.00 0.00 C +ATOM 1265 H PHE A 74 6.111 0.022 -3.359 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.335 -0.527 -5.626 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.580 -1.528 -5.774 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.328 -2.321 -4.232 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 5.408 -2.262 -7.769 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 4.987 -4.293 -4.065 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.479 -4.204 -8.946 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.053 -6.228 -5.215 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.795 -6.201 -7.672 1.00 0.00 H +ATOM 1274 N VAL A 75 2.518 -1.264 -4.115 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.424 -1.778 -3.317 1.00 0.00 C +ATOM 1276 C VAL A 75 1.290 -3.268 -3.565 1.00 0.00 C +ATOM 1277 O VAL A 75 1.085 -3.703 -4.705 1.00 0.00 O +ATOM 1278 CB VAL A 75 0.084 -1.059 -3.641 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.061 -1.616 -2.800 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.217 0.448 -3.434 1.00 0.00 C +ATOM 1281 H VAL A 75 2.318 -0.777 -4.947 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.668 -1.627 -2.277 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.153 -1.238 -4.678 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.189 -2.665 -3.019 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -1.974 -1.085 -3.027 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -0.827 -1.496 -1.752 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.985 0.832 -4.092 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 0.490 0.652 -2.410 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 -0.723 0.928 -3.660 1.00 0.00 H +ATOM 1290 N ILE A 76 1.404 -4.041 -2.510 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.376 -5.483 -2.629 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.038 -5.998 -2.417 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.509 -6.879 -3.136 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.320 -6.149 -1.581 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.728 -5.536 -1.664 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.391 -7.674 -1.803 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.684 -6.040 -0.604 1.00 0.00 C +ATOM 1298 H ILE A 76 1.501 -3.632 -1.622 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.716 -5.754 -3.619 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.914 -5.966 -0.596 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.156 -5.772 -2.627 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.652 -4.463 -1.565 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 1.405 -8.102 -1.707 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 3.046 -8.120 -1.070 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 2.778 -7.881 -2.789 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 4.798 -7.109 -0.705 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.275 -5.819 0.371 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 5.643 -5.558 -0.720 1.00 0.00 H +ATOM 1309 N SER A 77 -0.719 -5.448 -1.439 1.00 0.00 N +ATOM 1310 CA SER A 77 -2.049 -5.890 -1.097 1.00 0.00 C +ATOM 1311 C SER A 77 -2.849 -4.732 -0.503 1.00 0.00 C +ATOM 1312 O SER A 77 -2.277 -3.835 0.144 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.947 -7.061 -0.109 1.00 0.00 C +ATOM 1314 OG SER A 77 -1.237 -8.144 -0.687 1.00 0.00 O +ATOM 1315 H SER A 77 -0.345 -4.711 -0.909 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.534 -6.235 -1.998 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.397 -6.740 0.765 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -2.934 -7.398 0.169 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.989 -7.873 -1.581 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.148 -4.730 -0.732 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.007 -3.663 -0.259 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.381 -4.216 0.111 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.866 -5.142 -0.522 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.145 -2.527 -1.336 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.680 -3.061 -2.652 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.022 -1.387 -0.840 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.575 -5.466 -1.227 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.553 -3.244 0.627 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.156 -2.137 -1.527 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -6.655 -3.497 -2.489 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.006 -3.816 -3.028 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -5.757 -2.255 -3.367 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -6.084 -0.623 -1.601 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -5.594 -0.969 0.059 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -7.011 -1.763 -0.625 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.958 -3.711 1.175 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.284 -4.094 1.528 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.441 -4.118 3.001 1.00 0.00 C +ATOM 1339 O GLY A 79 -8.627 -3.086 3.632 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.480 -3.094 1.779 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.980 -3.388 1.103 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.488 -5.078 1.134 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.326 -5.263 3.560 1.00 0.00 N +ATOM 1344 CA LYS A 80 -8.446 -5.441 4.972 1.00 0.00 C +ATOM 1345 C LYS A 80 -7.392 -6.379 5.448 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.028 -7.313 4.739 1.00 0.00 O +ATOM 1347 CB LYS A 80 -9.836 -5.971 5.344 1.00 0.00 C +ATOM 1348 CG LYS A 80 -10.932 -4.920 5.325 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.283 -5.530 5.616 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.319 -4.466 5.915 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -13.035 -3.761 7.194 1.00 0.00 N +ATOM 1352 H LYS A 80 -8.127 -6.056 3.014 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.306 -4.479 5.442 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.105 -6.746 4.642 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -9.789 -6.401 6.333 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -10.717 -4.170 6.073 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -10.950 -4.460 4.348 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -12.603 -6.095 4.753 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -12.202 -6.191 6.466 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -13.320 -3.748 5.109 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -14.287 -4.937 5.979 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -12.103 -3.298 7.204 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -13.074 -4.435 7.986 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -13.764 -3.041 7.371 1.00 0.00 H +ATOM 1365 N ALA A 81 -6.878 -6.138 6.617 1.00 0.00 N +ATOM 1366 CA ALA A 81 -5.921 -7.032 7.189 1.00 0.00 C +ATOM 1367 C ALA A 81 -6.659 -7.968 8.091 1.00 0.00 C +ATOM 1368 O ALA A 81 -6.727 -7.777 9.312 1.00 0.00 O +ATOM 1369 CB ALA A 81 -4.814 -6.302 7.920 1.00 0.00 C +ATOM 1370 H ALA A 81 -7.194 -5.362 7.127 1.00 0.00 H +ATOM 1371 HA ALA A 81 -5.499 -7.602 6.375 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -5.234 -5.749 8.747 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -4.335 -5.613 7.240 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -4.091 -7.015 8.290 1.00 0.00 H +ATOM 1375 N GLU A 82 -7.291 -8.917 7.480 1.00 0.00 N +ATOM 1376 CA GLU A 82 -8.108 -9.825 8.172 1.00 0.00 C +ATOM 1377 C GLU A 82 -7.307 -11.074 8.427 1.00 0.00 C +ATOM 1378 O GLU A 82 -7.004 -11.841 7.491 1.00 0.00 O +ATOM 1379 CB GLU A 82 -9.368 -10.109 7.362 1.00 0.00 C +ATOM 1380 CG GLU A 82 -10.520 -10.574 8.213 1.00 0.00 C +ATOM 1381 CD GLU A 82 -10.844 -9.553 9.276 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -11.599 -8.594 8.998 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -10.334 -9.683 10.412 1.00 0.00 O +ATOM 1384 H GLU A 82 -7.184 -9.027 6.512 1.00 0.00 H +ATOM 1385 HA GLU A 82 -8.385 -9.383 9.118 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -9.663 -9.202 6.855 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -9.151 -10.872 6.630 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -11.387 -10.718 7.585 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -10.252 -11.502 8.694 1.00 0.00 H +ATOM 1390 N ALA A 83 -6.922 -11.230 9.677 1.00 0.00 N +ATOM 1391 CA ALA A 83 -6.066 -12.295 10.155 1.00 0.00 C +ATOM 1392 C ALA A 83 -4.619 -12.083 9.706 1.00 0.00 C +ATOM 1393 O ALA A 83 -3.846 -11.442 10.420 1.00 0.00 O +ATOM 1394 CB ALA A 83 -6.596 -13.705 9.840 1.00 0.00 C +ATOM 1395 H ALA A 83 -7.227 -10.567 10.332 1.00 0.00 H +ATOM 1396 HA ALA A 83 -6.051 -12.167 11.229 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -6.599 -13.853 8.772 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -7.601 -13.806 10.221 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -5.956 -14.440 10.305 1.00 0.00 H +ATOM 1400 N SER A 84 -4.234 -12.561 8.530 1.00 0.00 N +ATOM 1401 CA SER A 84 -2.843 -12.392 8.105 1.00 0.00 C +ATOM 1402 C SER A 84 -2.645 -12.369 6.577 1.00 0.00 C +ATOM 1403 O SER A 84 -1.510 -12.280 6.138 1.00 0.00 O +ATOM 1404 CB SER A 84 -1.969 -13.519 8.698 1.00 0.00 C +ATOM 1405 OG SER A 84 -2.045 -13.557 10.129 1.00 0.00 O +ATOM 1406 H SER A 84 -4.875 -13.043 7.963 1.00 0.00 H +ATOM 1407 HA SER A 84 -2.484 -11.462 8.517 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -2.304 -14.469 8.308 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -0.941 -13.360 8.408 1.00 0.00 H +ATOM 1410 HG SER A 84 -2.577 -12.797 10.406 1.00 0.00 H +ATOM 1411 N GLU A 85 -3.722 -12.352 5.776 1.00 0.00 N +ATOM 1412 CA GLU A 85 -3.569 -12.525 4.309 1.00 0.00 C +ATOM 1413 C GLU A 85 -2.653 -11.477 3.665 1.00 0.00 C +ATOM 1414 O GLU A 85 -1.715 -11.841 2.971 1.00 0.00 O +ATOM 1415 CB GLU A 85 -4.922 -12.578 3.585 1.00 0.00 C +ATOM 1416 CG GLU A 85 -4.811 -12.850 2.086 1.00 0.00 C +ATOM 1417 CD GLU A 85 -6.143 -12.835 1.386 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -6.879 -13.850 1.449 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -6.486 -11.811 0.745 1.00 0.00 O +ATOM 1420 H GLU A 85 -4.620 -12.230 6.149 1.00 0.00 H +ATOM 1421 HA GLU A 85 -3.079 -13.479 4.177 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -5.519 -13.362 4.025 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -5.436 -11.639 3.715 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -4.185 -12.092 1.641 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -4.354 -13.818 1.941 1.00 0.00 H +ATOM 1426 N VAL A 86 -2.887 -10.202 3.940 1.00 0.00 N +ATOM 1427 CA VAL A 86 -2.067 -9.131 3.343 1.00 0.00 C +ATOM 1428 C VAL A 86 -0.587 -9.210 3.769 1.00 0.00 C +ATOM 1429 O VAL A 86 0.306 -8.848 3.009 1.00 0.00 O +ATOM 1430 CB VAL A 86 -2.622 -7.700 3.629 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -3.982 -7.500 2.980 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -2.702 -7.421 5.125 1.00 0.00 C +ATOM 1433 H VAL A 86 -3.635 -9.976 4.533 1.00 0.00 H +ATOM 1434 HA VAL A 86 -2.096 -9.298 2.276 1.00 0.00 H +ATOM 1435 HB VAL A 86 -1.939 -6.989 3.185 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -3.896 -7.610 1.909 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -4.358 -6.514 3.212 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -4.671 -8.240 3.355 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -3.105 -6.432 5.286 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -1.713 -7.480 5.555 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -3.342 -8.153 5.596 1.00 0.00 H +ATOM 1442 N TYR A 87 -0.335 -9.718 4.961 1.00 0.00 N +ATOM 1443 CA TYR A 87 1.021 -9.791 5.456 1.00 0.00 C +ATOM 1444 C TYR A 87 1.707 -11.041 4.992 1.00 0.00 C +ATOM 1445 O TYR A 87 2.848 -10.994 4.557 1.00 0.00 O +ATOM 1446 CB TYR A 87 1.087 -9.663 6.973 1.00 0.00 C +ATOM 1447 CG TYR A 87 0.623 -8.324 7.477 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 1.232 -7.160 7.033 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 -0.406 -8.215 8.400 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 0.832 -5.931 7.487 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 -0.815 -6.978 8.859 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -0.187 -5.840 8.393 1.00 0.00 C +ATOM 1453 OH TYR A 87 -0.568 -4.609 8.861 1.00 0.00 O +ATOM 1454 H TYR A 87 -1.077 -10.072 5.493 1.00 0.00 H +ATOM 1455 HA TYR A 87 1.547 -8.952 5.022 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 0.472 -10.428 7.423 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 2.109 -9.804 7.293 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 2.033 -7.230 6.314 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 -0.890 -9.110 8.759 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 1.322 -5.038 7.126 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 -1.620 -6.904 9.575 1.00 0.00 H +ATOM 1462 HH TYR A 87 -0.453 -4.692 9.816 1.00 0.00 H +ATOM 1463 N SER A 88 1.006 -12.149 5.056 1.00 0.00 N +ATOM 1464 CA SER A 88 1.543 -13.413 4.638 1.00 0.00 C +ATOM 1465 C SER A 88 1.774 -13.442 3.130 1.00 0.00 C +ATOM 1466 O SER A 88 2.682 -14.131 2.650 1.00 0.00 O +ATOM 1467 CB SER A 88 0.640 -14.538 5.112 1.00 0.00 C +ATOM 1468 OG SER A 88 0.558 -14.519 6.537 1.00 0.00 O +ATOM 1469 H SER A 88 0.088 -12.141 5.410 1.00 0.00 H +ATOM 1470 HA SER A 88 2.502 -13.523 5.119 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -0.347 -14.407 4.696 1.00 0.00 H +ATOM 1472 HB3 SER A 88 1.048 -15.487 4.798 1.00 0.00 H +ATOM 1473 HG SER A 88 0.356 -15.417 6.832 1.00 0.00 H +ATOM 1474 N GLU A 89 0.967 -12.683 2.396 1.00 0.00 N +ATOM 1475 CA GLU A 89 1.136 -12.523 0.963 1.00 0.00 C +ATOM 1476 C GLU A 89 2.496 -11.899 0.703 1.00 0.00 C +ATOM 1477 O GLU A 89 3.299 -12.425 -0.058 1.00 0.00 O +ATOM 1478 CB GLU A 89 0.035 -11.595 0.413 1.00 0.00 C +ATOM 1479 CG GLU A 89 0.073 -11.360 -1.091 1.00 0.00 C +ATOM 1480 CD GLU A 89 -0.237 -12.595 -1.888 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -1.416 -12.833 -2.199 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 0.679 -13.346 -2.235 1.00 0.00 O +ATOM 1483 H GLU A 89 0.208 -12.227 2.825 1.00 0.00 H +ATOM 1484 HA GLU A 89 1.071 -13.487 0.479 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -0.928 -12.018 0.658 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 0.122 -10.638 0.905 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -0.654 -10.602 -1.342 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 1.057 -11.008 -1.361 1.00 0.00 H +ATOM 1489 N ALA A 90 2.758 -10.818 1.411 1.00 0.00 N +ATOM 1490 CA ALA A 90 3.968 -10.050 1.258 1.00 0.00 C +ATOM 1491 C ALA A 90 5.211 -10.768 1.814 1.00 0.00 C +ATOM 1492 O ALA A 90 6.208 -10.924 1.107 1.00 0.00 O +ATOM 1493 CB ALA A 90 3.797 -8.690 1.913 1.00 0.00 C +ATOM 1494 H ALA A 90 2.088 -10.517 2.062 1.00 0.00 H +ATOM 1495 HA ALA A 90 4.102 -9.883 0.200 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 2.922 -8.202 1.509 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 4.670 -8.085 1.719 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 3.678 -8.821 2.977 1.00 0.00 H +ATOM 1499 N VAL A 91 5.145 -11.237 3.054 1.00 0.00 N +ATOM 1500 CA VAL A 91 6.323 -11.823 3.706 1.00 0.00 C +ATOM 1501 C VAL A 91 6.779 -13.141 3.046 1.00 0.00 C +ATOM 1502 O VAL A 91 7.980 -13.425 2.987 1.00 0.00 O +ATOM 1503 CB VAL A 91 6.165 -11.966 5.257 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 5.093 -12.956 5.638 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 7.487 -12.306 5.925 1.00 0.00 C +ATOM 1506 H VAL A 91 4.289 -11.179 3.539 1.00 0.00 H +ATOM 1507 HA VAL A 91 7.119 -11.116 3.514 1.00 0.00 H +ATOM 1508 HB VAL A 91 5.846 -11.002 5.629 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 5.340 -13.921 5.223 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 4.158 -12.606 5.230 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 5.022 -13.023 6.713 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 8.199 -11.513 5.744 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 7.868 -13.228 5.511 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 7.337 -12.423 6.989 1.00 0.00 H +ATOM 1515 N LYS A 92 5.840 -13.947 2.547 1.00 0.00 N +ATOM 1516 CA LYS A 92 6.228 -15.145 1.799 1.00 0.00 C +ATOM 1517 C LYS A 92 6.651 -14.800 0.375 1.00 0.00 C +ATOM 1518 O LYS A 92 7.232 -15.630 -0.322 1.00 0.00 O +ATOM 1519 CB LYS A 92 5.148 -16.251 1.750 1.00 0.00 C +ATOM 1520 CG LYS A 92 5.020 -17.167 2.979 1.00 0.00 C +ATOM 1521 CD LYS A 92 4.215 -16.574 4.124 1.00 0.00 C +ATOM 1522 CE LYS A 92 3.966 -17.639 5.196 1.00 0.00 C +ATOM 1523 NZ LYS A 92 3.017 -17.197 6.251 1.00 0.00 N +ATOM 1524 H LYS A 92 4.888 -13.740 2.671 1.00 0.00 H +ATOM 1525 HA LYS A 92 7.102 -15.537 2.298 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 4.190 -15.775 1.603 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 5.347 -16.871 0.889 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 4.548 -18.090 2.679 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 6.016 -17.392 3.331 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 4.774 -15.758 4.557 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 3.267 -16.212 3.756 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 3.562 -18.521 4.721 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 4.912 -17.889 5.653 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 3.334 -16.340 6.748 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 2.927 -17.931 6.981 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 2.062 -17.034 5.873 1.00 0.00 H +ATOM 1537 N ARG A 93 6.356 -13.584 -0.057 1.00 0.00 N +ATOM 1538 CA ARG A 93 6.628 -13.190 -1.423 1.00 0.00 C +ATOM 1539 C ARG A 93 8.060 -12.729 -1.574 1.00 0.00 C +ATOM 1540 O ARG A 93 8.750 -13.121 -2.529 1.00 0.00 O +ATOM 1541 CB ARG A 93 5.694 -12.087 -1.849 1.00 0.00 C +ATOM 1542 CG ARG A 93 5.644 -11.890 -3.328 1.00 0.00 C +ATOM 1543 CD ARG A 93 4.707 -10.778 -3.681 1.00 0.00 C +ATOM 1544 NE ARG A 93 4.373 -10.805 -5.090 1.00 0.00 N +ATOM 1545 CZ ARG A 93 3.899 -9.783 -5.773 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 4.017 -8.542 -5.305 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 3.391 -9.987 -6.964 1.00 0.00 N +ATOM 1548 H ARG A 93 5.957 -12.934 0.560 1.00 0.00 H +ATOM 1549 HA ARG A 93 6.459 -14.047 -2.057 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 4.698 -12.323 -1.503 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 6.012 -11.162 -1.391 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 6.636 -11.643 -3.676 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 5.309 -12.802 -3.798 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 3.801 -10.884 -3.102 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 5.176 -9.835 -3.449 1.00 0.00 H +ATOM 1556 HE ARG A 93 4.430 -11.702 -5.493 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 4.476 -8.341 -4.435 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 3.648 -7.766 -5.816 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 3.366 -10.896 -7.389 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 2.942 -9.245 -7.484 1.00 0.00 H +ATOM 1561 N ILE A 94 8.512 -11.891 -0.652 1.00 0.00 N +ATOM 1562 CA ILE A 94 9.891 -11.448 -0.664 1.00 0.00 C +ATOM 1563 C ILE A 94 10.749 -12.552 -0.066 1.00 0.00 C +ATOM 1564 O ILE A 94 10.961 -12.620 1.144 1.00 0.00 O +ATOM 1565 CB ILE A 94 10.155 -10.053 0.059 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 9.466 -8.864 -0.667 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 11.657 -9.762 0.166 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 7.957 -8.814 -0.569 1.00 0.00 C +ATOM 1569 H ILE A 94 7.903 -11.576 0.050 1.00 0.00 H +ATOM 1570 HA ILE A 94 10.165 -11.371 -1.706 1.00 0.00 H +ATOM 1571 HB ILE A 94 9.765 -10.126 1.062 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 9.839 -7.939 -0.252 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 9.729 -8.905 -1.713 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 12.134 -10.536 0.749 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 11.808 -8.805 0.641 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 12.089 -9.738 -0.823 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 7.664 -8.745 0.468 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 7.544 -9.713 -1.002 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 7.589 -7.953 -1.107 1.00 0.00 H +ATOM 1580 N LEU A 95 11.121 -13.466 -0.910 1.00 0.00 N +ATOM 1581 CA LEU A 95 11.905 -14.596 -0.550 1.00 0.00 C +ATOM 1582 C LEU A 95 12.530 -15.127 -1.821 1.00 0.00 C +ATOM 1583 O LEU A 95 11.849 -15.850 -2.575 1.00 0.00 O +ATOM 1584 CB LEU A 95 11.020 -15.672 0.118 1.00 0.00 C +ATOM 1585 CG LEU A 95 11.740 -16.890 0.702 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 12.668 -16.477 1.838 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 10.728 -17.917 1.188 1.00 0.00 C +ATOM 1588 OXT LEU A 95 13.686 -14.784 -2.110 1.00 0.00 O +ATOM 1589 H LEU A 95 10.846 -13.393 -1.849 1.00 0.00 H +ATOM 1590 HA LEU A 95 12.677 -14.279 0.137 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 10.469 -15.197 0.916 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 10.312 -16.021 -0.618 1.00 0.00 H +ATOM 1593 HG LEU A 95 12.342 -17.346 -0.069 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 13.412 -15.788 1.467 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 13.158 -17.352 2.241 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 12.092 -15.998 2.616 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 10.100 -17.474 1.947 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 11.251 -18.766 1.606 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 10.118 -18.244 0.359 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 18 +ATOM 1 N MET A 1 10.629 15.980 -2.116 1.00 0.00 N +ATOM 2 CA MET A 1 10.788 14.958 -3.140 1.00 0.00 C +ATOM 3 C MET A 1 9.739 13.894 -2.948 1.00 0.00 C +ATOM 4 O MET A 1 9.479 13.466 -1.824 1.00 0.00 O +ATOM 5 CB MET A 1 12.190 14.352 -3.084 1.00 0.00 C +ATOM 6 CG MET A 1 12.435 13.227 -4.079 1.00 0.00 C +ATOM 7 SD MET A 1 12.197 13.746 -5.785 1.00 0.00 S +ATOM 8 CE MET A 1 12.522 12.199 -6.639 1.00 0.00 C +ATOM 9 H MET A 1 10.733 15.561 -1.172 1.00 0.00 H +ATOM 10 HA MET A 1 10.631 15.415 -4.106 1.00 0.00 H +ATOM 11 HB2 MET A 1 12.899 15.138 -3.293 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.357 13.972 -2.089 1.00 0.00 H +ATOM 13 HG2 MET A 1 13.451 12.877 -3.970 1.00 0.00 H +ATOM 14 HG3 MET A 1 11.750 12.419 -3.866 1.00 0.00 H +ATOM 15 HE1 MET A 1 12.420 12.340 -7.705 1.00 0.00 H +ATOM 16 HE2 MET A 1 11.819 11.450 -6.306 1.00 0.00 H +ATOM 17 HE3 MET A 1 13.526 11.873 -6.414 1.00 0.00 H +ATOM 18 N ALA A 2 9.158 13.461 -4.031 1.00 0.00 N +ATOM 19 CA ALA A 2 8.096 12.491 -3.998 1.00 0.00 C +ATOM 20 C ALA A 2 8.467 11.274 -4.822 1.00 0.00 C +ATOM 21 O ALA A 2 9.256 11.370 -5.760 1.00 0.00 O +ATOM 22 CB ALA A 2 6.801 13.108 -4.505 1.00 0.00 C +ATOM 23 H ALA A 2 9.486 13.783 -4.899 1.00 0.00 H +ATOM 24 HA ALA A 2 7.951 12.189 -2.970 1.00 0.00 H +ATOM 25 HB1 ALA A 2 6.927 13.410 -5.534 1.00 0.00 H +ATOM 26 HB2 ALA A 2 6.550 13.969 -3.903 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.007 12.379 -4.440 1.00 0.00 H +ATOM 28 N TYR A 3 7.905 10.148 -4.471 1.00 0.00 N +ATOM 29 CA TYR A 3 8.168 8.884 -5.158 1.00 0.00 C +ATOM 30 C TYR A 3 7.038 8.586 -6.129 1.00 0.00 C +ATOM 31 O TYR A 3 6.016 9.275 -6.123 1.00 0.00 O +ATOM 32 CB TYR A 3 8.260 7.722 -4.150 1.00 0.00 C +ATOM 33 CG TYR A 3 9.427 7.755 -3.175 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.692 8.873 -2.405 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.246 6.646 -3.011 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.726 8.893 -1.511 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.285 6.657 -2.102 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.517 7.787 -1.356 1.00 0.00 C +ATOM 39 OH TYR A 3 12.533 7.809 -0.434 1.00 0.00 O +ATOM 40 H TYR A 3 7.275 10.159 -3.720 1.00 0.00 H +ATOM 41 HA TYR A 3 9.103 8.965 -5.691 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.359 7.712 -3.553 1.00 0.00 H +ATOM 43 HB3 TYR A 3 8.313 6.796 -4.706 1.00 0.00 H +ATOM 44 HD1 TYR A 3 9.069 9.747 -2.523 1.00 0.00 H +ATOM 45 HD2 TYR A 3 10.059 5.761 -3.601 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.907 9.779 -0.923 1.00 0.00 H +ATOM 47 HE2 TYR A 3 11.914 5.788 -1.985 1.00 0.00 H +ATOM 48 HH TYR A 3 13.287 7.304 -0.789 1.00 0.00 H +ATOM 49 N PHE A 4 7.217 7.578 -6.944 1.00 0.00 N +ATOM 50 CA PHE A 4 6.187 7.132 -7.865 1.00 0.00 C +ATOM 51 C PHE A 4 5.323 6.100 -7.159 1.00 0.00 C +ATOM 52 O PHE A 4 5.762 5.507 -6.195 1.00 0.00 O +ATOM 53 CB PHE A 4 6.824 6.519 -9.121 1.00 0.00 C +ATOM 54 CG PHE A 4 7.645 7.492 -9.920 1.00 0.00 C +ATOM 55 CD1 PHE A 4 7.033 8.501 -10.644 1.00 0.00 C +ATOM 56 CD2 PHE A 4 9.027 7.394 -9.950 1.00 0.00 C +ATOM 57 CE1 PHE A 4 7.783 9.398 -11.379 1.00 0.00 C +ATOM 58 CE2 PHE A 4 9.782 8.287 -10.685 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.159 9.290 -11.400 1.00 0.00 C +ATOM 60 H PHE A 4 8.076 7.095 -6.924 1.00 0.00 H +ATOM 61 HA PHE A 4 5.580 7.980 -8.141 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.490 5.732 -8.802 1.00 0.00 H +ATOM 63 HB3 PHE A 4 6.070 6.086 -9.760 1.00 0.00 H +ATOM 64 HD1 PHE A 4 5.956 8.589 -10.626 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.514 6.609 -9.389 1.00 0.00 H +ATOM 66 HE1 PHE A 4 7.294 10.181 -11.940 1.00 0.00 H +ATOM 67 HE2 PHE A 4 10.859 8.202 -10.700 1.00 0.00 H +ATOM 68 HZ PHE A 4 9.746 9.990 -11.977 1.00 0.00 H +ATOM 69 N LEU A 5 4.108 5.910 -7.602 1.00 0.00 N +ATOM 70 CA LEU A 5 3.218 4.941 -6.976 1.00 0.00 C +ATOM 71 C LEU A 5 2.693 3.977 -8.051 1.00 0.00 C +ATOM 72 O LEU A 5 2.216 4.425 -9.105 1.00 0.00 O +ATOM 73 CB LEU A 5 2.042 5.707 -6.301 1.00 0.00 C +ATOM 74 CG LEU A 5 1.180 4.991 -5.219 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.453 3.767 -5.732 1.00 0.00 C +ATOM 76 CD2 LEU A 5 2.008 4.644 -4.004 1.00 0.00 C +ATOM 77 H LEU A 5 3.775 6.436 -8.359 1.00 0.00 H +ATOM 78 HA LEU A 5 3.769 4.394 -6.226 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.449 6.598 -5.848 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.382 6.021 -7.095 1.00 0.00 H +ATOM 81 HG LEU A 5 0.419 5.687 -4.899 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.281 4.059 -6.470 1.00 0.00 H +ATOM 83 HD12 LEU A 5 -0.020 3.261 -4.904 1.00 0.00 H +ATOM 84 HD13 LEU A 5 1.172 3.101 -6.185 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.822 4.000 -4.301 1.00 0.00 H +ATOM 86 HD22 LEU A 5 1.387 4.124 -3.289 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.396 5.547 -3.556 1.00 0.00 H +ATOM 88 N ASP A 6 2.786 2.683 -7.798 1.00 0.00 N +ATOM 89 CA ASP A 6 2.229 1.666 -8.705 1.00 0.00 C +ATOM 90 C ASP A 6 1.587 0.570 -7.865 1.00 0.00 C +ATOM 91 O ASP A 6 1.909 0.428 -6.679 1.00 0.00 O +ATOM 92 CB ASP A 6 3.309 1.080 -9.648 1.00 0.00 C +ATOM 93 CG ASP A 6 2.741 0.141 -10.721 1.00 0.00 C +ATOM 94 OD1 ASP A 6 1.917 0.583 -11.547 1.00 0.00 O +ATOM 95 OD2 ASP A 6 3.092 -1.040 -10.748 1.00 0.00 O +ATOM 96 H ASP A 6 3.224 2.372 -6.972 1.00 0.00 H +ATOM 97 HA ASP A 6 1.453 2.145 -9.286 1.00 0.00 H +ATOM 98 HB2 ASP A 6 3.844 1.880 -10.139 1.00 0.00 H +ATOM 99 HB3 ASP A 6 3.994 0.509 -9.040 1.00 0.00 H +ATOM 100 N PHE A 7 0.682 -0.169 -8.446 1.00 0.00 N +ATOM 101 CA PHE A 7 -0.047 -1.211 -7.738 1.00 0.00 C +ATOM 102 C PHE A 7 0.222 -2.552 -8.384 1.00 0.00 C +ATOM 103 O PHE A 7 0.177 -2.675 -9.624 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.567 -0.977 -7.805 1.00 0.00 C +ATOM 105 CG PHE A 7 -2.078 0.322 -7.250 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -2.107 1.460 -8.037 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.558 0.395 -5.961 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.603 2.645 -7.549 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -3.052 1.579 -5.462 1.00 0.00 C +ATOM 110 CZ PHE A 7 -3.074 2.707 -6.257 1.00 0.00 C +ATOM 111 H PHE A 7 0.515 -0.039 -9.402 1.00 0.00 H +ATOM 112 HA PHE A 7 0.261 -1.224 -6.704 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.874 -1.017 -8.839 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -2.056 -1.783 -7.276 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.730 1.409 -9.047 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.542 -0.486 -5.337 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.618 3.523 -8.177 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.422 1.625 -4.449 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.464 3.635 -5.867 1.00 0.00 H +ATOM 120 N ASP A 8 0.503 -3.537 -7.572 1.00 0.00 N +ATOM 121 CA ASP A 8 0.660 -4.913 -8.027 1.00 0.00 C +ATOM 122 C ASP A 8 -0.656 -5.460 -8.478 1.00 0.00 C +ATOM 123 O ASP A 8 -1.701 -4.976 -8.057 1.00 0.00 O +ATOM 124 CB ASP A 8 1.227 -5.818 -6.945 1.00 0.00 C +ATOM 125 CG ASP A 8 2.694 -5.628 -6.740 1.00 0.00 C +ATOM 126 OD1 ASP A 8 3.486 -6.246 -7.488 1.00 0.00 O +ATOM 127 OD2 ASP A 8 3.094 -4.902 -5.821 1.00 0.00 O +ATOM 128 H ASP A 8 0.626 -3.356 -6.610 1.00 0.00 H +ATOM 129 HA ASP A 8 1.337 -4.905 -8.867 1.00 0.00 H +ATOM 130 HB2 ASP A 8 0.724 -5.613 -6.012 1.00 0.00 H +ATOM 131 HB3 ASP A 8 1.049 -6.846 -7.223 1.00 0.00 H +ATOM 132 N GLU A 9 -0.615 -6.454 -9.338 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.821 -7.091 -9.861 1.00 0.00 C +ATOM 134 C GLU A 9 -2.700 -7.621 -8.714 1.00 0.00 C +ATOM 135 O GLU A 9 -3.924 -7.519 -8.765 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.491 -8.225 -10.879 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.763 -9.469 -10.324 1.00 0.00 C +ATOM 138 CD GLU A 9 0.621 -9.188 -9.782 1.00 0.00 C +ATOM 139 OE1 GLU A 9 0.740 -8.813 -8.609 1.00 0.00 O +ATOM 140 OE2 GLU A 9 1.606 -9.326 -10.534 1.00 0.00 O +ATOM 141 H GLU A 9 0.263 -6.801 -9.604 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.382 -6.320 -10.367 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.422 -8.566 -11.306 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.888 -7.803 -11.669 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -1.355 -9.882 -9.520 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -0.686 -10.199 -11.117 1.00 0.00 H +ATOM 147 N ARG A 10 -2.047 -8.131 -7.666 1.00 0.00 N +ATOM 148 CA ARG A 10 -2.729 -8.643 -6.471 1.00 0.00 C +ATOM 149 C ARG A 10 -3.544 -7.500 -5.844 1.00 0.00 C +ATOM 150 O ARG A 10 -4.762 -7.631 -5.582 1.00 0.00 O +ATOM 151 CB ARG A 10 -1.677 -9.136 -5.450 1.00 0.00 C +ATOM 152 CG ARG A 10 -0.603 -10.027 -6.055 1.00 0.00 C +ATOM 153 CD ARG A 10 0.470 -10.419 -5.051 1.00 0.00 C +ATOM 154 NE ARG A 10 1.657 -10.968 -5.734 1.00 0.00 N +ATOM 155 CZ ARG A 10 2.415 -12.000 -5.318 1.00 0.00 C +ATOM 156 NH1 ARG A 10 2.092 -12.680 -4.219 1.00 0.00 N +ATOM 157 NH2 ARG A 10 3.494 -12.357 -6.032 1.00 0.00 N +ATOM 158 H ARG A 10 -1.065 -8.176 -7.734 1.00 0.00 H +ATOM 159 HA ARG A 10 -3.381 -9.457 -6.746 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.196 -8.276 -5.007 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -2.181 -9.691 -4.672 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -1.068 -10.931 -6.421 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -0.138 -9.508 -6.880 1.00 0.00 H +ATOM 164 HD2 ARG A 10 0.755 -9.547 -4.481 1.00 0.00 H +ATOM 165 HD3 ARG A 10 0.071 -11.172 -4.388 1.00 0.00 H +ATOM 166 HE ARG A 10 1.882 -10.474 -6.557 1.00 0.00 H +ATOM 167 HH11 ARG A 10 1.277 -12.465 -3.656 1.00 0.00 H +ATOM 168 HH12 ARG A 10 2.625 -13.464 -3.891 1.00 0.00 H +ATOM 169 HH21 ARG A 10 3.760 -11.870 -6.868 1.00 0.00 H +ATOM 170 HH22 ARG A 10 4.071 -13.142 -5.789 1.00 0.00 H +ATOM 171 N ALA A 11 -2.877 -6.369 -5.681 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.458 -5.170 -5.118 1.00 0.00 C +ATOM 173 C ALA A 11 -4.508 -4.572 -6.028 1.00 0.00 C +ATOM 174 O ALA A 11 -5.485 -4.053 -5.557 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.391 -4.142 -4.824 1.00 0.00 C +ATOM 176 H ALA A 11 -1.936 -6.335 -5.950 1.00 0.00 H +ATOM 177 HA ALA A 11 -3.926 -5.440 -4.182 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.921 -3.836 -5.746 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.648 -4.574 -4.168 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -2.843 -3.286 -4.347 1.00 0.00 H +ATOM 181 N LEU A 12 -4.308 -4.675 -7.340 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.234 -4.110 -8.312 1.00 0.00 C +ATOM 183 C LEU A 12 -6.568 -4.778 -8.223 1.00 0.00 C +ATOM 184 O LEU A 12 -7.607 -4.129 -8.308 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.684 -4.204 -9.734 1.00 0.00 C +ATOM 186 CG LEU A 12 -3.607 -3.187 -10.122 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -3.056 -3.505 -11.502 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.192 -1.774 -10.109 1.00 0.00 C +ATOM 189 H LEU A 12 -3.516 -5.156 -7.669 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.364 -3.069 -8.060 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -4.272 -5.194 -9.861 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -5.517 -4.098 -10.410 1.00 0.00 H +ATOM 193 HG LEU A 12 -2.796 -3.224 -9.408 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -2.618 -4.493 -11.501 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -2.299 -2.779 -11.762 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -3.857 -3.467 -12.225 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -5.030 -1.728 -10.790 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -3.439 -1.070 -10.430 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.522 -1.516 -9.114 1.00 0.00 H +ATOM 200 N LYS A 13 -6.532 -6.061 -8.009 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.720 -6.842 -7.855 1.00 0.00 C +ATOM 202 C LYS A 13 -8.463 -6.424 -6.603 1.00 0.00 C +ATOM 203 O LYS A 13 -9.681 -6.246 -6.632 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.355 -8.297 -7.807 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.763 -8.794 -9.100 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.194 -10.166 -8.931 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.655 -10.699 -10.236 1.00 0.00 C +ATOM 208 NZ LYS A 13 -5.231 -12.100 -10.111 1.00 0.00 N +ATOM 209 H LYS A 13 -5.653 -6.498 -7.958 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.347 -6.666 -8.716 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -6.632 -8.443 -7.019 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.241 -8.872 -7.591 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.534 -8.823 -9.855 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -5.978 -8.118 -9.408 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.372 -10.057 -8.235 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -6.943 -10.832 -8.530 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -6.425 -10.630 -10.990 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -4.808 -10.099 -10.532 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -4.807 -12.443 -10.995 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -6.053 -12.701 -9.892 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -4.542 -12.210 -9.341 1.00 0.00 H +ATOM 222 N GLU A 14 -7.727 -6.224 -5.518 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.332 -5.777 -4.274 1.00 0.00 C +ATOM 224 C GLU A 14 -8.824 -4.326 -4.386 1.00 0.00 C +ATOM 225 O GLU A 14 -9.844 -3.974 -3.854 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.399 -5.956 -3.082 1.00 0.00 C +ATOM 227 CG GLU A 14 -6.914 -7.376 -2.906 1.00 0.00 C +ATOM 228 CD GLU A 14 -6.327 -7.657 -1.545 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -5.258 -7.122 -1.203 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -6.940 -8.464 -0.795 1.00 0.00 O +ATOM 231 H GLU A 14 -6.759 -6.390 -5.550 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.202 -6.400 -4.134 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.538 -5.320 -3.220 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -7.918 -5.658 -2.182 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -7.744 -8.049 -3.059 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.158 -7.567 -3.653 1.00 0.00 H +ATOM 237 N TRP A 15 -8.088 -3.515 -5.100 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.416 -2.106 -5.340 1.00 0.00 C +ATOM 239 C TRP A 15 -9.725 -2.003 -6.156 1.00 0.00 C +ATOM 240 O TRP A 15 -10.555 -1.111 -5.936 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.230 -1.477 -6.097 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.274 -0.001 -6.321 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.643 0.648 -7.463 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.892 1.013 -5.386 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.517 2.006 -7.289 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.059 2.254 -6.023 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.428 0.988 -4.065 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.776 3.461 -5.389 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.149 2.185 -3.441 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.322 3.404 -4.101 1.00 0.00 C +ATOM 251 H TRP A 15 -7.248 -3.869 -5.470 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.548 -1.605 -4.389 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.325 -1.681 -5.548 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -7.156 -1.959 -7.060 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -7.978 0.147 -8.360 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.716 2.697 -7.955 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.289 0.057 -3.537 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.906 4.413 -5.883 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -5.789 2.190 -2.424 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.089 4.314 -3.568 1.00 0.00 H +ATOM 261 N ARG A 16 -9.890 -2.913 -7.108 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.123 -3.005 -7.894 1.00 0.00 C +ATOM 263 C ARG A 16 -12.238 -3.630 -7.064 1.00 0.00 C +ATOM 264 O ARG A 16 -13.417 -3.419 -7.325 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.914 -3.821 -9.166 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.965 -3.198 -10.169 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.758 -4.111 -11.365 1.00 0.00 C +ATOM 268 NE ARG A 16 -11.002 -4.348 -12.117 1.00 0.00 N +ATOM 269 CZ ARG A 16 -11.115 -5.154 -13.189 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -10.069 -5.869 -13.605 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -12.284 -5.259 -13.822 1.00 0.00 N +ATOM 272 H ARG A 16 -9.145 -3.528 -7.299 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.411 -1.997 -8.157 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.519 -4.789 -8.891 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.868 -3.965 -9.647 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.377 -2.259 -10.508 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -9.011 -3.023 -9.691 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.024 -3.666 -12.020 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -9.380 -5.055 -11.004 1.00 0.00 H +ATOM 280 HE ARG A 16 -11.785 -3.850 -11.788 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -9.186 -5.828 -13.129 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -10.109 -6.471 -14.406 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -13.090 -4.749 -13.511 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -12.413 -5.839 -14.632 1.00 0.00 H +ATOM 285 N LYS A 17 -11.847 -4.429 -6.104 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.755 -5.079 -5.173 1.00 0.00 C +ATOM 287 C LYS A 17 -13.301 -4.041 -4.203 1.00 0.00 C +ATOM 288 O LYS A 17 -14.483 -4.053 -3.853 1.00 0.00 O +ATOM 289 CB LYS A 17 -11.972 -6.154 -4.422 1.00 0.00 C +ATOM 290 CG LYS A 17 -12.712 -6.906 -3.348 1.00 0.00 C +ATOM 291 CD LYS A 17 -11.775 -7.898 -2.679 1.00 0.00 C +ATOM 292 CE LYS A 17 -12.467 -8.666 -1.583 1.00 0.00 C +ATOM 293 NZ LYS A 17 -12.853 -7.811 -0.455 1.00 0.00 N +ATOM 294 H LYS A 17 -10.885 -4.605 -6.014 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.562 -5.540 -5.721 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -11.606 -6.877 -5.135 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.121 -5.668 -3.967 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -13.067 -6.201 -2.612 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -13.542 -7.439 -3.785 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -11.408 -8.597 -3.414 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -10.939 -7.359 -2.258 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -13.368 -9.079 -2.007 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -11.821 -9.458 -1.237 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -13.455 -7.028 -0.770 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -12.015 -7.441 0.037 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -13.389 -8.374 0.238 1.00 0.00 H +ATOM 307 N LEU A 18 -12.424 -3.153 -3.793 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.740 -2.072 -2.904 1.00 0.00 C +ATOM 309 C LEU A 18 -13.715 -1.112 -3.527 1.00 0.00 C +ATOM 310 O LEU A 18 -13.758 -0.942 -4.758 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.477 -1.306 -2.521 1.00 0.00 C +ATOM 312 CG LEU A 18 -10.924 -1.540 -1.123 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.615 -2.998 -0.870 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.702 -0.687 -0.910 1.00 0.00 C +ATOM 315 H LEU A 18 -11.491 -3.236 -4.090 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.149 -2.514 -2.010 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.707 -1.568 -3.230 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.689 -0.253 -2.626 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.666 -1.224 -0.409 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -10.226 -3.115 0.131 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -9.886 -3.344 -1.588 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -11.524 -3.569 -0.972 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.313 -0.857 0.083 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -9.986 0.351 -1.010 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -8.950 -0.930 -1.645 1.00 0.00 H +ATOM 326 N GLY A 19 -14.479 -0.481 -2.684 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.416 0.501 -3.121 1.00 0.00 C +ATOM 328 C GLY A 19 -14.694 1.747 -3.533 1.00 0.00 C +ATOM 329 O GLY A 19 -13.642 2.068 -2.955 1.00 0.00 O +ATOM 330 H GLY A 19 -14.377 -0.688 -1.732 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -15.986 0.114 -3.952 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.082 0.742 -2.308 1.00 0.00 H +ATOM 333 N SER A 20 -15.240 2.443 -4.506 1.00 0.00 N +ATOM 334 CA SER A 20 -14.658 3.641 -5.068 1.00 0.00 C +ATOM 335 C SER A 20 -14.280 4.658 -3.986 1.00 0.00 C +ATOM 336 O SER A 20 -13.157 5.091 -3.926 1.00 0.00 O +ATOM 337 CB SER A 20 -15.640 4.249 -6.060 1.00 0.00 C +ATOM 338 OG SER A 20 -16.011 3.285 -7.047 1.00 0.00 O +ATOM 339 H SER A 20 -16.096 2.145 -4.886 1.00 0.00 H +ATOM 340 HA SER A 20 -13.768 3.356 -5.610 1.00 0.00 H +ATOM 341 HB2 SER A 20 -16.524 4.572 -5.528 1.00 0.00 H +ATOM 342 HB3 SER A 20 -15.184 5.096 -6.551 1.00 0.00 H +ATOM 343 HG SER A 20 -15.702 3.636 -7.892 1.00 0.00 H +ATOM 344 N THR A 21 -15.199 4.943 -3.100 1.00 0.00 N +ATOM 345 CA THR A 21 -15.006 5.937 -2.053 1.00 0.00 C +ATOM 346 C THR A 21 -13.877 5.514 -1.098 1.00 0.00 C +ATOM 347 O THR A 21 -13.042 6.324 -0.699 1.00 0.00 O +ATOM 348 CB THR A 21 -16.326 6.117 -1.279 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.379 6.368 -2.231 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.255 7.283 -0.306 1.00 0.00 C +ATOM 351 H THR A 21 -16.046 4.454 -3.130 1.00 0.00 H +ATOM 352 HA THR A 21 -14.746 6.876 -2.520 1.00 0.00 H +ATOM 353 HB THR A 21 -16.538 5.205 -0.741 1.00 0.00 H +ATOM 354 HG1 THR A 21 -18.160 5.875 -1.951 1.00 0.00 H +ATOM 355 HG21 THR A 21 -15.436 7.131 0.382 1.00 0.00 H +ATOM 356 HG22 THR A 21 -17.183 7.336 0.243 1.00 0.00 H +ATOM 357 HG23 THR A 21 -16.111 8.201 -0.853 1.00 0.00 H +ATOM 358 N VAL A 22 -13.823 4.227 -0.813 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.833 3.679 0.086 1.00 0.00 C +ATOM 360 C VAL A 22 -11.455 3.807 -0.542 1.00 0.00 C +ATOM 361 O VAL A 22 -10.504 4.296 0.082 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.132 2.185 0.377 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -12.056 1.573 1.250 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.498 2.027 1.030 1.00 0.00 C +ATOM 365 H VAL A 22 -14.455 3.623 -1.254 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.863 4.232 1.014 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.142 1.654 -0.563 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -12.013 2.102 2.190 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -11.101 1.646 0.752 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -12.289 0.535 1.436 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.679 0.982 1.237 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -15.261 2.400 0.364 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.522 2.586 1.954 1.00 0.00 H +ATOM 374 N ARG A 23 -11.366 3.417 -1.788 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.128 3.490 -2.495 1.00 0.00 C +ATOM 376 C ARG A 23 -9.697 4.940 -2.761 1.00 0.00 C +ATOM 377 O ARG A 23 -8.522 5.224 -2.765 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.098 2.627 -3.751 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.148 2.954 -4.759 1.00 0.00 C +ATOM 380 CD ARG A 23 -10.835 2.298 -6.067 1.00 0.00 C +ATOM 381 NE ARG A 23 -11.826 2.616 -7.088 1.00 0.00 N +ATOM 382 CZ ARG A 23 -12.552 1.715 -7.759 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.434 0.408 -7.495 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.404 2.126 -8.682 1.00 0.00 N +ATOM 385 H ARG A 23 -12.172 3.073 -2.237 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.398 3.097 -1.799 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.134 2.727 -4.226 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.235 1.591 -3.465 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.071 2.534 -4.384 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.284 4.022 -4.866 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -9.869 2.676 -6.373 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -10.779 1.228 -5.928 1.00 0.00 H +ATOM 393 HE ARG A 23 -11.917 3.582 -7.264 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -11.803 0.039 -6.801 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -12.994 -0.272 -7.978 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -13.525 3.098 -8.905 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -13.988 1.497 -9.202 1.00 0.00 H +ATOM 398 N GLU A 24 -10.653 5.847 -3.005 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.339 7.272 -3.216 1.00 0.00 C +ATOM 400 C GLU A 24 -9.594 7.855 -2.028 1.00 0.00 C +ATOM 401 O GLU A 24 -8.618 8.586 -2.204 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.589 8.100 -3.496 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.277 7.749 -4.790 1.00 0.00 C +ATOM 404 CD GLU A 24 -13.490 8.584 -5.055 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -14.315 8.785 -4.143 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -13.643 9.078 -6.189 1.00 0.00 O +ATOM 407 H GLU A 24 -11.592 5.558 -3.062 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.686 7.325 -4.075 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.292 7.924 -2.694 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.325 9.148 -3.518 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -11.582 7.884 -5.606 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.573 6.710 -4.747 1.00 0.00 H +ATOM 413 N GLN A 25 -10.030 7.506 -0.831 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.364 7.972 0.384 1.00 0.00 C +ATOM 415 C GLN A 25 -7.969 7.394 0.497 1.00 0.00 C +ATOM 416 O GLN A 25 -7.027 8.091 0.883 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.186 7.671 1.636 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.108 8.804 2.077 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.055 9.294 1.000 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -11.733 10.211 0.242 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.212 8.714 0.927 1.00 0.00 N +ATOM 422 H GLN A 25 -10.817 6.919 -0.769 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.265 9.043 0.283 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.793 6.799 1.449 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.508 7.453 2.448 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.696 8.449 2.909 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -10.498 9.632 2.408 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.423 7.997 1.564 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -13.817 9.008 0.215 1.00 0.00 H +ATOM 430 N LEU A 26 -7.833 6.140 0.128 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.540 5.484 0.138 1.00 0.00 C +ATOM 432 C LEU A 26 -5.621 6.109 -0.902 1.00 0.00 C +ATOM 433 O LEU A 26 -4.444 6.333 -0.642 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.698 3.990 -0.099 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.445 3.218 0.997 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.592 1.769 0.617 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.724 3.338 2.337 1.00 0.00 C +ATOM 438 H LEU A 26 -8.633 5.639 -0.146 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.101 5.642 1.111 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.236 3.872 -1.029 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.714 3.563 -0.220 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.439 3.625 1.110 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -6.614 1.330 0.482 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.152 1.693 -0.303 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.116 1.242 1.400 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -6.699 4.372 2.649 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -5.713 2.973 2.234 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -7.244 2.747 3.077 1.00 0.00 H +ATOM 449 N LYS A 27 -6.181 6.409 -2.068 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.469 7.089 -3.142 1.00 0.00 C +ATOM 451 C LYS A 27 -4.904 8.424 -2.646 1.00 0.00 C +ATOM 452 O LYS A 27 -3.750 8.738 -2.899 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.418 7.374 -4.304 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.766 8.121 -5.462 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.791 8.747 -6.403 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.597 9.840 -5.696 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.486 10.560 -6.620 1.00 0.00 N +ATOM 458 H LYS A 27 -7.110 6.117 -2.216 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.667 6.456 -3.490 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.801 6.434 -4.673 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.240 7.962 -3.928 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.152 8.907 -5.048 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -5.145 7.433 -6.015 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -6.277 9.182 -7.248 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.465 7.978 -6.750 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -8.205 9.395 -4.923 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.905 10.539 -5.250 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -7.921 11.074 -7.328 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -9.067 11.266 -6.129 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -9.129 9.932 -7.141 1.00 0.00 H +ATOM 471 N LYS A 28 -5.725 9.176 -1.910 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.317 10.476 -1.349 1.00 0.00 C +ATOM 473 C LYS A 28 -4.148 10.297 -0.416 1.00 0.00 C +ATOM 474 O LYS A 28 -3.203 11.089 -0.415 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.470 11.130 -0.594 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.648 11.514 -1.458 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.796 12.008 -0.606 1.00 0.00 C +ATOM 478 CE LYS A 28 -9.982 12.397 -1.456 1.00 0.00 C +ATOM 479 NZ LYS A 28 -11.158 12.719 -0.633 1.00 0.00 N +ATOM 480 H LYS A 28 -6.636 8.846 -1.746 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.021 11.117 -2.167 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.820 10.443 0.163 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.100 12.022 -0.111 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.347 12.296 -2.139 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -7.970 10.647 -2.017 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.095 11.225 0.074 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.469 12.869 -0.043 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -9.720 13.264 -2.044 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.222 11.572 -2.112 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -11.436 11.872 -0.091 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -11.966 12.987 -1.231 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -10.956 13.488 0.035 1.00 0.00 H +ATOM 493 N LYS A 29 -4.201 9.225 0.351 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.141 8.890 1.265 1.00 0.00 C +ATOM 495 C LYS A 29 -1.870 8.557 0.553 1.00 0.00 C +ATOM 496 O LYS A 29 -0.799 8.916 1.005 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.528 7.785 2.227 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.053 8.281 3.559 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.285 9.127 3.418 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.696 9.676 4.753 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.663 10.576 5.321 1.00 0.00 N +ATOM 502 H LYS A 29 -4.992 8.645 0.294 1.00 0.00 H +ATOM 503 HA LYS A 29 -2.962 9.786 1.832 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.290 7.177 1.764 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.655 7.177 2.402 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -4.296 7.433 4.180 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -3.279 8.862 4.040 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -5.078 9.945 2.743 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.086 8.520 3.022 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.632 10.200 4.643 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.811 8.822 5.407 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -3.833 10.032 5.628 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -5.027 11.132 6.120 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -4.329 11.247 4.591 1.00 0.00 H +ATOM 515 N LEU A 30 -1.992 7.898 -0.558 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.851 7.560 -1.359 1.00 0.00 C +ATOM 517 C LEU A 30 -0.229 8.824 -1.915 1.00 0.00 C +ATOM 518 O LEU A 30 0.975 8.989 -1.892 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.259 6.624 -2.488 1.00 0.00 C +ATOM 520 CG LEU A 30 -1.901 5.311 -2.048 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.334 4.502 -3.246 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -0.953 4.512 -1.167 1.00 0.00 C +ATOM 523 H LEU A 30 -2.889 7.613 -0.839 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.136 7.057 -0.725 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -1.956 7.151 -3.123 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.375 6.391 -3.062 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.786 5.537 -1.472 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -2.776 3.572 -2.915 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -1.476 4.299 -3.868 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -3.061 5.062 -3.815 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -1.415 3.571 -0.914 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -0.756 5.067 -0.262 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.025 4.333 -1.690 1.00 0.00 H +ATOM 534 N VAL A 31 -1.077 9.738 -2.349 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.634 10.995 -2.925 1.00 0.00 C +ATOM 536 C VAL A 31 0.093 11.861 -1.878 1.00 0.00 C +ATOM 537 O VAL A 31 1.174 12.412 -2.162 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.828 11.786 -3.541 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -1.383 13.116 -4.113 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -2.509 10.968 -4.618 1.00 0.00 C +ATOM 541 H VAL A 31 -2.039 9.552 -2.276 1.00 0.00 H +ATOM 542 HA VAL A 31 0.062 10.750 -3.714 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.552 11.979 -2.764 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -0.651 12.949 -4.889 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -0.949 13.704 -3.318 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -2.243 13.625 -4.520 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -3.325 11.535 -5.039 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -2.894 10.069 -4.156 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -1.796 10.712 -5.387 1.00 0.00 H +ATOM 550 N GLU A 32 -0.473 11.955 -0.670 1.00 0.00 N +ATOM 551 CA GLU A 32 0.164 12.723 0.389 1.00 0.00 C +ATOM 552 C GLU A 32 1.454 12.041 0.861 1.00 0.00 C +ATOM 553 O GLU A 32 2.509 12.683 0.958 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.786 13.015 1.588 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.343 11.781 2.270 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.087 12.056 3.561 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -1.437 12.125 4.630 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -3.338 12.164 3.551 1.00 0.00 O +ATOM 559 H GLU A 32 -1.340 11.519 -0.508 1.00 0.00 H +ATOM 560 HA GLU A 32 0.438 13.661 -0.070 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.253 13.594 2.327 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.616 13.599 1.218 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -2.032 11.349 1.562 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.535 11.088 2.454 1.00 0.00 H +ATOM 565 N VAL A 33 1.384 10.726 1.042 1.00 0.00 N +ATOM 566 CA VAL A 33 2.468 9.950 1.608 1.00 0.00 C +ATOM 567 C VAL A 33 3.722 9.997 0.745 1.00 0.00 C +ATOM 568 O VAL A 33 4.789 9.915 1.253 1.00 0.00 O +ATOM 569 CB VAL A 33 2.076 8.479 1.960 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.204 7.514 0.780 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.830 7.994 3.187 1.00 0.00 C +ATOM 572 H VAL A 33 0.559 10.252 0.793 1.00 0.00 H +ATOM 573 HA VAL A 33 2.722 10.456 2.530 1.00 0.00 H +ATOM 574 HB VAL A 33 1.025 8.502 2.212 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.877 6.528 1.075 1.00 0.00 H +ATOM 576 HG12 VAL A 33 3.238 7.472 0.473 1.00 0.00 H +ATOM 577 HG13 VAL A 33 1.605 7.870 -0.045 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.629 6.947 3.360 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.500 8.564 4.043 1.00 0.00 H +ATOM 580 HG23 VAL A 33 3.887 8.152 3.049 1.00 0.00 H +ATOM 581 N LEU A 34 3.564 10.146 -0.563 1.00 0.00 N +ATOM 582 CA LEU A 34 4.686 10.143 -1.512 1.00 0.00 C +ATOM 583 C LEU A 34 5.800 11.147 -1.174 1.00 0.00 C +ATOM 584 O LEU A 34 6.945 10.935 -1.581 1.00 0.00 O +ATOM 585 CB LEU A 34 4.205 10.345 -2.954 1.00 0.00 C +ATOM 586 CG LEU A 34 3.386 9.204 -3.560 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.909 9.564 -4.954 1.00 0.00 C +ATOM 588 CD2 LEU A 34 4.191 7.913 -3.588 1.00 0.00 C +ATOM 589 H LEU A 34 2.653 10.244 -0.911 1.00 0.00 H +ATOM 590 HA LEU A 34 5.128 9.159 -1.447 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.600 11.239 -2.978 1.00 0.00 H +ATOM 592 HB3 LEU A 34 5.067 10.509 -3.582 1.00 0.00 H +ATOM 593 HG LEU A 34 2.510 9.042 -2.949 1.00 0.00 H +ATOM 594 HD11 LEU A 34 3.762 9.743 -5.591 1.00 0.00 H +ATOM 595 HD12 LEU A 34 2.297 10.452 -4.908 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.325 8.750 -5.356 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.422 7.600 -2.582 1.00 0.00 H +ATOM 598 HD22 LEU A 34 5.111 8.082 -4.129 1.00 0.00 H +ATOM 599 HD23 LEU A 34 3.624 7.144 -4.088 1.00 0.00 H +ATOM 600 N GLU A 35 5.481 12.231 -0.455 1.00 0.00 N +ATOM 601 CA GLU A 35 6.523 13.195 -0.068 1.00 0.00 C +ATOM 602 C GLU A 35 7.444 12.600 1.013 1.00 0.00 C +ATOM 603 O GLU A 35 8.619 12.966 1.127 1.00 0.00 O +ATOM 604 CB GLU A 35 5.922 14.524 0.412 1.00 0.00 C +ATOM 605 CG GLU A 35 5.029 14.416 1.636 1.00 0.00 C +ATOM 606 CD GLU A 35 4.483 15.745 2.062 1.00 0.00 C +ATOM 607 OE1 GLU A 35 3.532 16.240 1.421 1.00 0.00 O +ATOM 608 OE2 GLU A 35 4.985 16.326 3.055 1.00 0.00 O +ATOM 609 H GLU A 35 4.549 12.365 -0.167 1.00 0.00 H +ATOM 610 HA GLU A 35 7.125 13.372 -0.948 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.732 15.196 0.656 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.347 14.955 -0.393 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.201 13.760 1.410 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.607 13.999 2.449 1.00 0.00 H +ATOM 615 N SER A 36 6.905 11.692 1.797 1.00 0.00 N +ATOM 616 CA SER A 36 7.627 11.015 2.848 1.00 0.00 C +ATOM 617 C SER A 36 6.997 9.634 3.084 1.00 0.00 C +ATOM 618 O SER A 36 6.254 9.445 4.019 1.00 0.00 O +ATOM 619 CB SER A 36 7.618 11.848 4.144 1.00 0.00 C +ATOM 620 OG SER A 36 8.192 13.149 3.935 1.00 0.00 O +ATOM 621 H SER A 36 5.970 11.421 1.653 1.00 0.00 H +ATOM 622 HA SER A 36 8.642 10.870 2.521 1.00 0.00 H +ATOM 623 HB2 SER A 36 6.601 11.970 4.485 1.00 0.00 H +ATOM 624 HB3 SER A 36 8.191 11.333 4.902 1.00 0.00 H +ATOM 625 HG SER A 36 8.695 13.058 3.113 1.00 0.00 H +ATOM 626 N PRO A 37 7.221 8.668 2.167 1.00 0.00 N +ATOM 627 CA PRO A 37 6.605 7.341 2.268 1.00 0.00 C +ATOM 628 C PRO A 37 7.246 6.482 3.334 1.00 0.00 C +ATOM 629 O PRO A 37 6.689 5.469 3.748 1.00 0.00 O +ATOM 630 CB PRO A 37 6.829 6.740 0.881 1.00 0.00 C +ATOM 631 CG PRO A 37 8.055 7.410 0.383 1.00 0.00 C +ATOM 632 CD PRO A 37 8.021 8.808 0.938 1.00 0.00 C +ATOM 633 HA PRO A 37 5.547 7.409 2.465 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.961 5.672 0.962 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.980 6.955 0.248 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.929 6.886 0.742 1.00 0.00 H +ATOM 637 HG3 PRO A 37 8.050 7.435 -0.696 1.00 0.00 H +ATOM 638 HD2 PRO A 37 9.016 9.167 1.158 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.515 9.472 0.250 1.00 0.00 H +ATOM 640 N ARG A 38 8.389 6.919 3.805 1.00 0.00 N +ATOM 641 CA ARG A 38 9.153 6.193 4.781 1.00 0.00 C +ATOM 642 C ARG A 38 8.735 6.528 6.219 1.00 0.00 C +ATOM 643 O ARG A 38 9.541 6.552 7.124 1.00 0.00 O +ATOM 644 CB ARG A 38 10.678 6.354 4.507 1.00 0.00 C +ATOM 645 CG ARG A 38 11.252 7.789 4.405 1.00 0.00 C +ATOM 646 CD ARG A 38 11.403 8.478 5.760 1.00 0.00 C +ATOM 647 NE ARG A 38 12.188 7.653 6.703 1.00 0.00 N +ATOM 648 CZ ARG A 38 12.141 7.756 8.046 1.00 0.00 C +ATOM 649 NH1 ARG A 38 11.520 8.790 8.627 1.00 0.00 N +ATOM 650 NH2 ARG A 38 12.738 6.835 8.801 1.00 0.00 N +ATOM 651 H ARG A 38 8.719 7.781 3.477 1.00 0.00 H +ATOM 652 HA ARG A 38 8.898 5.154 4.629 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.214 5.859 5.301 1.00 0.00 H +ATOM 654 HB3 ARG A 38 10.897 5.838 3.583 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.218 7.751 3.927 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.584 8.370 3.788 1.00 0.00 H +ATOM 657 HD2 ARG A 38 11.895 9.428 5.611 1.00 0.00 H +ATOM 658 HD3 ARG A 38 10.416 8.642 6.167 1.00 0.00 H +ATOM 659 HE ARG A 38 12.712 6.939 6.275 1.00 0.00 H +ATOM 660 HH11 ARG A 38 11.080 9.507 8.079 1.00 0.00 H +ATOM 661 HH12 ARG A 38 11.470 8.888 9.623 1.00 0.00 H +ATOM 662 HH21 ARG A 38 13.239 6.060 8.410 1.00 0.00 H +ATOM 663 HH22 ARG A 38 12.676 6.857 9.811 1.00 0.00 H +ATOM 664 N ILE A 39 7.452 6.641 6.441 1.00 0.00 N +ATOM 665 CA ILE A 39 6.962 6.979 7.756 1.00 0.00 C +ATOM 666 C ILE A 39 6.956 5.722 8.601 1.00 0.00 C +ATOM 667 O ILE A 39 6.069 4.875 8.497 1.00 0.00 O +ATOM 668 CB ILE A 39 5.549 7.637 7.702 1.00 0.00 C +ATOM 669 CG1 ILE A 39 5.647 8.968 6.952 1.00 0.00 C +ATOM 670 CG2 ILE A 39 4.986 7.854 9.108 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.326 9.659 6.694 1.00 0.00 C +ATOM 672 H ILE A 39 6.828 6.465 5.705 1.00 0.00 H +ATOM 673 HA ILE A 39 7.667 7.674 8.192 1.00 0.00 H +ATOM 674 HB ILE A 39 4.884 6.983 7.158 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.256 9.649 7.529 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.128 8.797 6.000 1.00 0.00 H +ATOM 677 HG21 ILE A 39 4.001 8.293 9.038 1.00 0.00 H +ATOM 678 HG22 ILE A 39 5.638 8.522 9.650 1.00 0.00 H +ATOM 679 HG23 ILE A 39 4.929 6.907 9.625 1.00 0.00 H +ATOM 680 HD11 ILE A 39 3.842 9.899 7.628 1.00 0.00 H +ATOM 681 HD12 ILE A 39 3.694 9.008 6.107 1.00 0.00 H +ATOM 682 HD13 ILE A 39 4.523 10.563 6.136 1.00 0.00 H +ATOM 683 N GLU A 40 8.006 5.612 9.397 1.00 0.00 N +ATOM 684 CA GLU A 40 8.321 4.463 10.237 1.00 0.00 C +ATOM 685 C GLU A 40 7.207 4.068 11.205 1.00 0.00 C +ATOM 686 O GLU A 40 7.161 2.938 11.664 1.00 0.00 O +ATOM 687 CB GLU A 40 9.675 4.674 10.934 1.00 0.00 C +ATOM 688 CG GLU A 40 9.822 6.024 11.624 1.00 0.00 C +ATOM 689 CD GLU A 40 11.209 6.252 12.166 1.00 0.00 C +ATOM 690 OE1 GLU A 40 12.110 6.657 11.394 1.00 0.00 O +ATOM 691 OE2 GLU A 40 11.437 6.032 13.363 1.00 0.00 O +ATOM 692 H GLU A 40 8.637 6.364 9.394 1.00 0.00 H +ATOM 693 HA GLU A 40 8.438 3.634 9.555 1.00 0.00 H +ATOM 694 HB2 GLU A 40 9.803 3.903 11.681 1.00 0.00 H +ATOM 695 HB3 GLU A 40 10.464 4.581 10.201 1.00 0.00 H +ATOM 696 HG2 GLU A 40 9.606 6.803 10.909 1.00 0.00 H +ATOM 697 HG3 GLU A 40 9.113 6.079 12.438 1.00 0.00 H +ATOM 698 N ALA A 41 6.292 4.979 11.470 1.00 0.00 N +ATOM 699 CA ALA A 41 5.135 4.683 12.315 1.00 0.00 C +ATOM 700 C ALA A 41 4.204 3.700 11.599 1.00 0.00 C +ATOM 701 O ALA A 41 3.488 2.909 12.228 1.00 0.00 O +ATOM 702 CB ALA A 41 4.392 5.965 12.663 1.00 0.00 C +ATOM 703 H ALA A 41 6.419 5.871 11.088 1.00 0.00 H +ATOM 704 HA ALA A 41 5.489 4.221 13.225 1.00 0.00 H +ATOM 705 HB1 ALA A 41 3.562 5.737 13.316 1.00 0.00 H +ATOM 706 HB2 ALA A 41 4.020 6.424 11.759 1.00 0.00 H +ATOM 707 HB3 ALA A 41 5.065 6.647 13.162 1.00 0.00 H +ATOM 708 N ASN A 42 4.269 3.717 10.281 1.00 0.00 N +ATOM 709 CA ASN A 42 3.436 2.878 9.433 1.00 0.00 C +ATOM 710 C ASN A 42 4.192 1.653 8.983 1.00 0.00 C +ATOM 711 O ASN A 42 3.636 0.808 8.296 1.00 0.00 O +ATOM 712 CB ASN A 42 2.981 3.640 8.179 1.00 0.00 C +ATOM 713 CG ASN A 42 2.078 4.819 8.457 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.330 4.842 9.437 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.126 5.799 7.592 1.00 0.00 N +ATOM 716 H ASN A 42 4.918 4.309 9.839 1.00 0.00 H +ATOM 717 HA ASN A 42 2.558 2.562 9.978 1.00 0.00 H +ATOM 718 HB2 ASN A 42 3.854 4.012 7.665 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.458 2.955 7.529 1.00 0.00 H +ATOM 720 HD21 ASN A 42 2.735 5.714 6.830 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.533 6.572 7.714 1.00 0.00 H +ATOM 722 N LYS A 43 5.452 1.539 9.372 1.00 0.00 N +ATOM 723 CA LYS A 43 6.264 0.474 8.947 1.00 0.00 C +ATOM 724 C LYS A 43 5.842 -0.822 9.617 1.00 0.00 C +ATOM 725 O LYS A 43 5.442 -0.838 10.794 1.00 0.00 O +ATOM 726 CB LYS A 43 7.724 0.816 9.216 1.00 0.00 C +ATOM 727 CG LYS A 43 8.666 -0.190 8.673 1.00 0.00 C +ATOM 728 CD LYS A 43 10.115 0.266 8.753 1.00 0.00 C +ATOM 729 CE LYS A 43 11.057 -0.792 8.180 1.00 0.00 C +ATOM 730 NZ LYS A 43 12.465 -0.348 8.181 1.00 0.00 N +ATOM 731 H LYS A 43 5.902 2.151 9.985 1.00 0.00 H +ATOM 732 HA LYS A 43 6.136 0.368 7.880 1.00 0.00 H +ATOM 733 HB2 LYS A 43 7.943 1.767 8.755 1.00 0.00 H +ATOM 734 HB3 LYS A 43 7.874 0.892 10.282 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.500 -1.077 9.262 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.357 -0.336 7.650 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.221 1.183 8.191 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.371 0.452 9.785 1.00 0.00 H +ATOM 739 HE2 LYS A 43 10.977 -1.689 8.776 1.00 0.00 H +ATOM 740 HE3 LYS A 43 10.757 -1.009 7.164 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 12.588 0.481 7.565 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 13.091 -1.103 7.836 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.760 -0.081 9.142 1.00 0.00 H +ATOM 744 N LEU A 44 5.900 -1.885 8.862 1.00 0.00 N +ATOM 745 CA LEU A 44 5.505 -3.185 9.336 1.00 0.00 C +ATOM 746 C LEU A 44 6.589 -3.831 10.181 1.00 0.00 C +ATOM 747 O LEU A 44 7.693 -3.293 10.328 1.00 0.00 O +ATOM 748 CB LEU A 44 5.118 -4.100 8.171 1.00 0.00 C +ATOM 749 CG LEU A 44 3.937 -3.648 7.319 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.589 -4.698 6.290 1.00 0.00 C +ATOM 751 CD2 LEU A 44 2.744 -3.355 8.185 1.00 0.00 C +ATOM 752 H LEU A 44 6.229 -1.767 7.943 1.00 0.00 H +ATOM 753 HA LEU A 44 4.635 -3.051 9.962 1.00 0.00 H +ATOM 754 HB2 LEU A 44 5.977 -4.185 7.522 1.00 0.00 H +ATOM 755 HB3 LEU A 44 4.893 -5.077 8.568 1.00 0.00 H +ATOM 756 HG LEU A 44 4.204 -2.743 6.793 1.00 0.00 H +ATOM 757 HD11 LEU A 44 3.352 -5.624 6.794 1.00 0.00 H +ATOM 758 HD12 LEU A 44 4.416 -4.845 5.612 1.00 0.00 H +ATOM 759 HD13 LEU A 44 2.721 -4.366 5.741 1.00 0.00 H +ATOM 760 HD21 LEU A 44 2.525 -4.220 8.788 1.00 0.00 H +ATOM 761 HD22 LEU A 44 1.897 -3.134 7.554 1.00 0.00 H +ATOM 762 HD23 LEU A 44 2.950 -2.507 8.822 1.00 0.00 H +ATOM 763 N ARG A 45 6.271 -4.986 10.703 1.00 0.00 N +ATOM 764 CA ARG A 45 7.142 -5.724 11.579 1.00 0.00 C +ATOM 765 C ARG A 45 7.641 -6.966 10.852 1.00 0.00 C +ATOM 766 O ARG A 45 6.837 -7.781 10.399 1.00 0.00 O +ATOM 767 CB ARG A 45 6.343 -6.100 12.835 1.00 0.00 C +ATOM 768 CG ARG A 45 7.105 -6.848 13.914 1.00 0.00 C +ATOM 769 CD ARG A 45 6.209 -7.075 15.127 1.00 0.00 C +ATOM 770 NE ARG A 45 5.808 -5.797 15.749 1.00 0.00 N +ATOM 771 CZ ARG A 45 4.542 -5.378 15.968 1.00 0.00 C +ATOM 772 NH1 ARG A 45 3.494 -6.155 15.669 1.00 0.00 N +ATOM 773 NH2 ARG A 45 4.343 -4.186 16.519 1.00 0.00 N +ATOM 774 H ARG A 45 5.406 -5.390 10.480 1.00 0.00 H +ATOM 775 HA ARG A 45 7.977 -5.102 11.862 1.00 0.00 H +ATOM 776 HB2 ARG A 45 5.959 -5.193 13.278 1.00 0.00 H +ATOM 777 HB3 ARG A 45 5.504 -6.708 12.530 1.00 0.00 H +ATOM 778 HG2 ARG A 45 7.436 -7.796 13.521 1.00 0.00 H +ATOM 779 HG3 ARG A 45 7.963 -6.264 14.210 1.00 0.00 H +ATOM 780 HD2 ARG A 45 5.328 -7.610 14.809 1.00 0.00 H +ATOM 781 HD3 ARG A 45 6.749 -7.666 15.853 1.00 0.00 H +ATOM 782 HE ARG A 45 6.560 -5.218 16.017 1.00 0.00 H +ATOM 783 HH11 ARG A 45 3.597 -7.075 15.278 1.00 0.00 H +ATOM 784 HH12 ARG A 45 2.542 -5.872 15.821 1.00 0.00 H +ATOM 785 HH21 ARG A 45 5.118 -3.602 16.779 1.00 0.00 H +ATOM 786 HH22 ARG A 45 3.432 -3.800 16.689 1.00 0.00 H +ATOM 787 N GLY A 46 8.943 -7.074 10.696 1.00 0.00 N +ATOM 788 CA GLY A 46 9.524 -8.219 10.027 1.00 0.00 C +ATOM 789 C GLY A 46 9.420 -8.113 8.525 1.00 0.00 C +ATOM 790 O GLY A 46 9.377 -9.129 7.822 1.00 0.00 O +ATOM 791 H GLY A 46 9.530 -6.366 11.040 1.00 0.00 H +ATOM 792 HA2 GLY A 46 10.563 -8.306 10.303 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.005 -9.110 10.346 1.00 0.00 H +ATOM 794 N MET A 47 9.395 -6.895 8.025 1.00 0.00 N +ATOM 795 CA MET A 47 9.235 -6.651 6.604 1.00 0.00 C +ATOM 796 C MET A 47 10.309 -5.676 6.141 1.00 0.00 C +ATOM 797 O MET A 47 10.477 -4.628 6.767 1.00 0.00 O +ATOM 798 CB MET A 47 7.837 -6.081 6.317 1.00 0.00 C +ATOM 799 CG MET A 47 6.689 -7.006 6.718 1.00 0.00 C +ATOM 800 SD MET A 47 6.614 -8.533 5.755 1.00 0.00 S +ATOM 801 CE MET A 47 6.113 -7.901 4.152 1.00 0.00 C +ATOM 802 H MET A 47 9.530 -6.127 8.620 1.00 0.00 H +ATOM 803 HA MET A 47 9.349 -7.596 6.095 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.732 -5.155 6.863 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.759 -5.874 5.260 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.812 -7.268 7.758 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.757 -6.471 6.597 1.00 0.00 H +ATOM 808 HE1 MET A 47 6.850 -7.206 3.781 1.00 0.00 H +ATOM 809 HE2 MET A 47 5.165 -7.396 4.259 1.00 0.00 H +ATOM 810 HE3 MET A 47 6.002 -8.720 3.457 1.00 0.00 H +ATOM 811 N PRO A 48 11.018 -6.000 5.020 1.00 0.00 N +ATOM 812 CA PRO A 48 12.171 -5.217 4.499 1.00 0.00 C +ATOM 813 C PRO A 48 11.928 -3.714 4.432 1.00 0.00 C +ATOM 814 O PRO A 48 12.650 -2.917 5.047 1.00 0.00 O +ATOM 815 CB PRO A 48 12.396 -5.788 3.082 1.00 0.00 C +ATOM 816 CG PRO A 48 11.221 -6.684 2.819 1.00 0.00 C +ATOM 817 CD PRO A 48 10.750 -7.159 4.159 1.00 0.00 C +ATOM 818 HA PRO A 48 13.054 -5.392 5.091 1.00 0.00 H +ATOM 819 HB2 PRO A 48 12.438 -4.974 2.372 1.00 0.00 H +ATOM 820 HB3 PRO A 48 13.325 -6.337 3.053 1.00 0.00 H +ATOM 821 HG2 PRO A 48 10.438 -6.127 2.327 1.00 0.00 H +ATOM 822 HG3 PRO A 48 11.525 -7.520 2.207 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.696 -7.388 4.119 1.00 0.00 H +ATOM 824 HD3 PRO A 48 11.317 -8.020 4.482 1.00 0.00 H +ATOM 825 N ASP A 49 10.928 -3.338 3.692 1.00 0.00 N +ATOM 826 CA ASP A 49 10.553 -1.956 3.550 1.00 0.00 C +ATOM 827 C ASP A 49 9.109 -1.943 3.200 1.00 0.00 C +ATOM 828 O ASP A 49 8.750 -1.997 2.034 1.00 0.00 O +ATOM 829 CB ASP A 49 11.339 -1.266 2.440 1.00 0.00 C +ATOM 830 CG ASP A 49 11.307 0.235 2.611 1.00 0.00 C +ATOM 831 OD1 ASP A 49 10.300 0.850 2.293 1.00 0.00 O +ATOM 832 OD2 ASP A 49 12.316 0.815 3.118 1.00 0.00 O +ATOM 833 H ASP A 49 10.404 -4.019 3.221 1.00 0.00 H +ATOM 834 HA ASP A 49 10.693 -1.424 4.479 1.00 0.00 H +ATOM 835 HB2 ASP A 49 12.346 -1.647 2.381 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.850 -1.501 1.505 1.00 0.00 H +ATOM 837 N CYS A 50 8.278 -2.025 4.193 1.00 0.00 N +ATOM 838 CA CYS A 50 6.861 -2.083 3.967 1.00 0.00 C +ATOM 839 C CYS A 50 6.154 -1.242 4.984 1.00 0.00 C +ATOM 840 O CYS A 50 6.550 -1.211 6.161 1.00 0.00 O +ATOM 841 CB CYS A 50 6.375 -3.531 4.034 1.00 0.00 C +ATOM 842 SG CYS A 50 7.195 -4.629 2.852 1.00 0.00 S +ATOM 843 H CYS A 50 8.607 -2.019 5.115 1.00 0.00 H +ATOM 844 HA CYS A 50 6.656 -1.693 2.984 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.566 -3.917 5.025 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.314 -3.559 3.836 1.00 0.00 H +ATOM 847 HG CYS A 50 7.721 -3.792 1.965 1.00 0.00 H +ATOM 848 N TYR A 51 5.127 -0.577 4.549 1.00 0.00 N +ATOM 849 CA TYR A 51 4.375 0.323 5.378 1.00 0.00 C +ATOM 850 C TYR A 51 2.916 0.119 5.084 1.00 0.00 C +ATOM 851 O TYR A 51 2.559 -0.332 3.980 1.00 0.00 O +ATOM 852 CB TYR A 51 4.734 1.792 5.070 1.00 0.00 C +ATOM 853 CG TYR A 51 6.206 2.143 5.172 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.068 1.906 4.113 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.729 2.709 6.316 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.401 2.219 4.198 1.00 0.00 C +ATOM 857 CE2 TYR A 51 8.070 3.026 6.404 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.897 2.779 5.339 1.00 0.00 C +ATOM 859 OH TYR A 51 10.233 3.090 5.420 1.00 0.00 O +ATOM 860 H TYR A 51 4.828 -0.694 3.617 1.00 0.00 H +ATOM 861 HA TYR A 51 4.579 0.115 6.417 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.422 2.019 4.061 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.191 2.431 5.751 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.677 1.461 3.211 1.00 0.00 H +ATOM 865 HD2 TYR A 51 6.075 2.903 7.153 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.055 2.026 3.361 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.463 3.468 7.307 1.00 0.00 H +ATOM 868 HH TYR A 51 10.518 3.413 4.554 1.00 0.00 H +ATOM 869 N LYS A 52 2.087 0.416 6.038 1.00 0.00 N +ATOM 870 CA LYS A 52 0.672 0.318 5.857 1.00 0.00 C +ATOM 871 C LYS A 52 0.006 1.628 6.215 1.00 0.00 C +ATOM 872 O LYS A 52 0.367 2.277 7.191 1.00 0.00 O +ATOM 873 CB LYS A 52 0.081 -0.817 6.714 1.00 0.00 C +ATOM 874 CG LYS A 52 0.368 -0.687 8.207 1.00 0.00 C +ATOM 875 CD LYS A 52 -0.299 -1.786 9.007 1.00 0.00 C +ATOM 876 CE LYS A 52 0.132 -1.736 10.460 1.00 0.00 C +ATOM 877 NZ LYS A 52 -0.564 -2.737 11.284 1.00 0.00 N +ATOM 878 H LYS A 52 2.435 0.723 6.907 1.00 0.00 H +ATOM 879 HA LYS A 52 0.479 0.098 4.818 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.991 -0.836 6.577 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.493 -1.755 6.370 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.435 -0.739 8.362 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.002 0.271 8.546 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -1.372 -1.683 8.943 1.00 0.00 H +ATOM 885 HD3 LYS A 52 0.004 -2.733 8.588 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.194 -1.920 10.514 1.00 0.00 H +ATOM 887 HE3 LYS A 52 -0.078 -0.750 10.840 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 -0.193 -2.749 12.254 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 -0.491 -3.699 10.890 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 -1.577 -2.513 11.352 1.00 0.00 H +ATOM 891 N ILE A 53 -0.952 2.004 5.441 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.730 3.175 5.728 1.00 0.00 C +ATOM 893 C ILE A 53 -3.104 2.715 6.077 1.00 0.00 C +ATOM 894 O ILE A 53 -3.673 1.900 5.367 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.812 4.155 4.526 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.407 4.629 4.128 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -2.715 5.349 4.868 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.385 5.609 2.972 1.00 0.00 C +ATOM 899 H ILE A 53 -1.153 1.463 4.645 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.291 3.678 6.577 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.255 3.630 3.692 1.00 0.00 H +ATOM 902 HG12 ILE A 53 0.055 5.111 4.977 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.185 3.770 3.850 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -3.708 5.009 5.125 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.786 6.008 4.017 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -2.305 5.903 5.698 1.00 0.00 H +ATOM 907 HD11 ILE A 53 -0.927 6.500 3.254 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -0.850 5.162 2.106 1.00 0.00 H +ATOM 909 HD13 ILE A 53 0.637 5.870 2.744 1.00 0.00 H +ATOM 910 N LYS A 54 -3.626 3.196 7.153 1.00 0.00 N +ATOM 911 CA LYS A 54 -4.931 2.807 7.573 1.00 0.00 C +ATOM 912 C LYS A 54 -5.890 3.933 7.221 1.00 0.00 C +ATOM 913 O LYS A 54 -5.510 5.116 7.239 1.00 0.00 O +ATOM 914 CB LYS A 54 -4.983 2.502 9.103 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.827 3.708 10.053 1.00 0.00 C +ATOM 916 CD LYS A 54 -3.477 3.764 10.796 1.00 0.00 C +ATOM 917 CE LYS A 54 -2.288 4.078 9.892 1.00 0.00 C +ATOM 918 NZ LYS A 54 -1.043 4.280 10.663 1.00 0.00 N +ATOM 919 H LYS A 54 -3.141 3.885 7.649 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.198 1.908 7.027 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.934 2.038 9.318 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.201 1.790 9.329 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.927 4.611 9.470 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -5.626 3.675 10.779 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -3.541 4.527 11.556 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -3.313 2.809 11.275 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -2.145 3.259 9.203 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -2.514 4.977 9.339 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -0.227 4.483 10.047 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -0.812 3.442 11.238 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -1.160 5.079 11.316 1.00 0.00 H +ATOM 932 N LEU A 55 -7.080 3.583 6.865 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.090 4.546 6.551 1.00 0.00 C +ATOM 934 C LEU A 55 -8.778 4.851 7.883 1.00 0.00 C +ATOM 935 O LEU A 55 -8.912 3.961 8.726 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.047 3.934 5.498 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.784 4.897 4.537 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -10.464 4.112 3.440 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -10.807 5.751 5.251 1.00 0.00 C +ATOM 940 H LEU A 55 -7.309 2.626 6.831 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.614 5.437 6.170 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.474 3.246 4.895 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.791 3.364 6.035 1.00 0.00 H +ATOM 944 HG LEU A 55 -9.055 5.543 4.070 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -9.716 3.591 2.861 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -11.013 4.784 2.798 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -11.140 3.389 3.870 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -11.563 5.123 5.694 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -11.265 6.428 4.544 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -10.311 6.316 6.026 1.00 0.00 H +ATOM 951 N ARG A 56 -9.162 6.081 8.101 1.00 0.00 N +ATOM 952 CA ARG A 56 -9.665 6.474 9.403 1.00 0.00 C +ATOM 953 C ARG A 56 -11.191 6.373 9.489 1.00 0.00 C +ATOM 954 O ARG A 56 -11.730 5.888 10.482 1.00 0.00 O +ATOM 955 CB ARG A 56 -9.173 7.883 9.721 1.00 0.00 C +ATOM 956 CG ARG A 56 -9.428 8.372 11.131 1.00 0.00 C +ATOM 957 CD ARG A 56 -8.846 9.759 11.290 1.00 0.00 C +ATOM 958 NE ARG A 56 -8.986 10.303 12.634 1.00 0.00 N +ATOM 959 CZ ARG A 56 -8.409 11.432 13.052 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -7.639 12.138 12.228 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -8.605 11.856 14.285 1.00 0.00 N +ATOM 962 H ARG A 56 -9.107 6.748 7.384 1.00 0.00 H +ATOM 963 HA ARG A 56 -9.241 5.799 10.131 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -8.109 7.927 9.546 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -9.656 8.567 9.040 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -10.490 8.396 11.322 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -8.946 7.704 11.828 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -7.793 9.725 11.048 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -9.346 10.419 10.597 1.00 0.00 H +ATOM 970 HE ARG A 56 -9.553 9.777 13.245 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -7.473 11.863 11.276 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -7.171 12.977 12.522 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -9.185 11.353 14.932 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -8.206 12.711 14.630 1.00 0.00 H +ATOM 975 N SER A 57 -11.877 6.807 8.454 1.00 0.00 N +ATOM 976 CA SER A 57 -13.336 6.798 8.446 1.00 0.00 C +ATOM 977 C SER A 57 -13.918 5.476 7.901 1.00 0.00 C +ATOM 978 O SER A 57 -15.140 5.334 7.722 1.00 0.00 O +ATOM 979 CB SER A 57 -13.840 7.985 7.642 1.00 0.00 C +ATOM 980 OG SER A 57 -13.320 9.201 8.171 1.00 0.00 O +ATOM 981 H SER A 57 -11.404 7.188 7.683 1.00 0.00 H +ATOM 982 HA SER A 57 -13.662 6.919 9.468 1.00 0.00 H +ATOM 983 HB2 SER A 57 -13.515 7.880 6.618 1.00 0.00 H +ATOM 984 HB3 SER A 57 -14.918 8.017 7.682 1.00 0.00 H +ATOM 985 HG SER A 57 -13.582 9.909 7.571 1.00 0.00 H +ATOM 986 N SER A 58 -13.058 4.528 7.626 1.00 0.00 N +ATOM 987 CA SER A 58 -13.447 3.218 7.160 1.00 0.00 C +ATOM 988 C SER A 58 -12.359 2.250 7.590 1.00 0.00 C +ATOM 989 O SER A 58 -11.186 2.589 7.508 1.00 0.00 O +ATOM 990 CB SER A 58 -13.611 3.211 5.626 1.00 0.00 C +ATOM 991 OG SER A 58 -14.520 4.229 5.203 1.00 0.00 O +ATOM 992 H SER A 58 -12.098 4.679 7.758 1.00 0.00 H +ATOM 993 HA SER A 58 -14.378 2.957 7.637 1.00 0.00 H +ATOM 994 HB2 SER A 58 -12.653 3.381 5.162 1.00 0.00 H +ATOM 995 HB3 SER A 58 -13.998 2.253 5.314 1.00 0.00 H +ATOM 996 HG SER A 58 -14.953 4.530 6.013 1.00 0.00 H +ATOM 997 N GLY A 59 -12.736 1.082 8.059 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.766 0.128 8.579 1.00 0.00 C +ATOM 999 C GLY A 59 -11.006 -0.613 7.497 1.00 0.00 C +ATOM 1000 O GLY A 59 -11.233 -1.804 7.253 1.00 0.00 O +ATOM 1001 H GLY A 59 -13.686 0.834 8.049 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -11.057 0.666 9.190 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -12.280 -0.587 9.201 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.109 0.079 6.854 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.286 -0.484 5.809 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.856 -0.050 5.999 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.595 0.941 6.665 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.763 -0.034 4.423 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.079 -0.620 3.968 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.291 -0.034 4.312 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.103 -1.752 3.172 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.486 -0.563 3.873 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.291 -2.283 2.725 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.478 -1.688 3.079 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.663 -2.212 2.621 1.00 0.00 O +ATOM 1016 H TYR A 60 -9.987 1.024 7.100 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.352 -1.560 5.869 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -9.875 1.039 4.429 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.009 -0.299 3.697 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.287 0.849 4.934 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.169 -2.217 2.898 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.420 -0.096 4.149 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.289 -3.167 2.104 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.151 -1.504 2.177 1.00 0.00 H +ATOM 1025 N ARG A 61 -6.944 -0.814 5.465 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.547 -0.459 5.455 1.00 0.00 C +ATOM 1027 C ARG A 61 -4.922 -0.954 4.157 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.367 -1.957 3.585 1.00 0.00 O +ATOM 1029 CB ARG A 61 -4.749 -0.966 6.701 1.00 0.00 C +ATOM 1030 CG ARG A 61 -4.632 -2.471 6.833 1.00 0.00 C +ATOM 1031 CD ARG A 61 -5.957 -3.110 7.164 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.359 -2.942 8.569 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -7.623 -2.977 9.017 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -8.647 -2.971 8.162 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.859 -2.998 10.315 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.198 -1.664 5.036 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.516 0.619 5.423 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -3.750 -0.560 6.658 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -5.235 -0.585 7.588 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.273 -2.875 5.897 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -3.924 -2.700 7.616 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -6.710 -2.659 6.536 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -5.889 -4.156 6.927 1.00 0.00 H +ATOM 1044 HE ARG A 61 -5.622 -2.869 9.219 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -8.526 -2.935 7.170 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -9.599 -2.993 8.491 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -7.101 -2.987 10.974 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -8.797 -3.050 10.672 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.941 -0.256 3.701 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.266 -0.554 2.463 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.796 -0.822 2.766 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.180 -0.064 3.510 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.474 0.653 1.508 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.860 0.605 0.099 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.565 1.608 -0.791 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.387 0.954 0.142 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.635 0.519 4.226 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.715 -1.434 2.030 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.538 0.796 1.392 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.085 1.526 2.011 1.00 0.00 H +ATOM 1061 HG LEU A 62 -2.973 -0.382 -0.322 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.133 1.580 -1.781 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -3.459 2.599 -0.375 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -4.613 1.354 -0.849 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -0.990 0.977 -0.862 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -0.864 0.208 0.722 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.264 1.921 0.606 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.253 -1.890 2.203 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.122 -2.294 2.458 1.00 0.00 C +ATOM 1070 C VAL A 63 0.971 -2.138 1.194 1.00 0.00 C +ATOM 1071 O VAL A 63 0.632 -2.668 0.119 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.196 -3.770 2.957 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.639 -4.205 3.187 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.618 -3.950 4.233 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.761 -2.435 1.559 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.519 -1.648 3.226 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.226 -4.405 2.193 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 2.103 -3.549 3.907 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.183 -4.159 2.255 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 1.654 -5.219 3.562 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.225 -3.300 4.999 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.551 -4.976 4.563 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -1.651 -3.696 4.040 1.00 0.00 H +ATOM 1084 N TYR A 64 2.061 -1.428 1.317 1.00 0.00 N +ATOM 1085 CA TYR A 64 2.943 -1.197 0.204 1.00 0.00 C +ATOM 1086 C TYR A 64 4.389 -1.362 0.611 1.00 0.00 C +ATOM 1087 O TYR A 64 4.717 -1.299 1.803 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.715 0.201 -0.421 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.881 1.400 0.516 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.115 1.735 1.068 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.808 2.212 0.809 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.261 2.829 1.882 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.946 3.309 1.624 1.00 0.00 C +ATOM 1094 CZ TYR A 64 3.177 3.612 2.160 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.324 4.705 2.980 1.00 0.00 O +ATOM 1096 H TYR A 64 2.297 -1.054 2.197 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.714 -1.941 -0.544 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.411 0.336 -1.236 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.711 0.230 -0.817 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.969 1.110 0.850 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.841 1.976 0.391 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.228 3.069 2.296 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 1.081 3.922 1.830 1.00 0.00 H +ATOM 1104 HH TYR A 64 4.190 5.091 2.828 1.00 0.00 H +ATOM 1105 N GLN A 65 5.238 -1.599 -0.350 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.650 -1.622 -0.104 1.00 0.00 C +ATOM 1107 C GLN A 65 7.286 -0.460 -0.831 1.00 0.00 C +ATOM 1108 O GLN A 65 6.881 -0.123 -1.950 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.315 -2.958 -0.495 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.254 -3.329 -1.966 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.025 -4.605 -2.277 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.658 -5.350 -3.177 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.124 -4.848 -1.569 1.00 0.00 N +ATOM 1114 H GLN A 65 4.906 -1.731 -1.268 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.782 -1.450 0.954 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.355 -2.904 -0.209 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 6.846 -3.744 0.078 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.221 -3.470 -2.247 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.672 -2.520 -2.546 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.417 -4.214 -0.879 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.601 -5.680 -1.780 1.00 0.00 H +ATOM 1122 N VAL A 66 8.229 0.173 -0.211 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.870 1.306 -0.814 1.00 0.00 C +ATOM 1124 C VAL A 66 10.188 0.887 -1.420 1.00 0.00 C +ATOM 1125 O VAL A 66 11.116 0.476 -0.728 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.073 2.468 0.199 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.866 3.613 -0.404 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.738 2.968 0.715 1.00 0.00 C +ATOM 1129 H VAL A 66 8.550 -0.122 0.671 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.227 1.651 -1.610 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.632 2.081 1.038 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 10.837 3.238 -0.692 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 9.986 4.387 0.341 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.352 4.006 -1.268 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.904 3.756 1.433 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.210 2.153 1.186 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 7.148 3.346 -0.107 1.00 0.00 H +ATOM 1138 N ILE A 67 10.265 0.943 -2.713 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.479 0.628 -3.361 1.00 0.00 C +ATOM 1140 C ILE A 67 12.187 1.939 -3.600 1.00 0.00 C +ATOM 1141 O ILE A 67 11.933 2.633 -4.595 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.249 -0.092 -4.718 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.283 -1.276 -4.542 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.586 -0.582 -5.281 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.897 -1.954 -5.841 1.00 0.00 C +ATOM 1146 H ILE A 67 9.495 1.234 -3.251 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.073 0.004 -2.709 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.822 0.617 -5.412 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.744 -2.019 -3.907 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.379 -0.923 -4.070 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 13.245 0.260 -5.422 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 12.420 -1.075 -6.228 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.034 -1.278 -4.589 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 10.785 -2.333 -6.326 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.417 -1.234 -6.489 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 9.219 -2.769 -5.639 1.00 0.00 H +ATOM 1157 N ASP A 68 13.054 2.293 -2.685 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.784 3.561 -2.773 1.00 0.00 C +ATOM 1159 C ASP A 68 14.768 3.508 -3.916 1.00 0.00 C +ATOM 1160 O ASP A 68 15.061 4.516 -4.556 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.500 3.880 -1.459 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.190 5.232 -1.483 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 14.552 6.247 -1.125 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 16.381 5.304 -1.859 1.00 0.00 O +ATOM 1165 H ASP A 68 13.174 1.706 -1.908 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.064 4.337 -2.985 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 13.782 3.879 -0.652 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.245 3.121 -1.272 1.00 0.00 H +ATOM 1169 N GLU A 69 15.208 2.294 -4.208 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.149 2.016 -5.280 1.00 0.00 C +ATOM 1171 C GLU A 69 15.596 2.474 -6.627 1.00 0.00 C +ATOM 1172 O GLU A 69 16.327 2.967 -7.466 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.420 0.523 -5.346 1.00 0.00 C +ATOM 1174 CG GLU A 69 16.909 -0.080 -4.051 1.00 0.00 C +ATOM 1175 CD GLU A 69 17.202 -1.544 -4.189 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 16.279 -2.375 -4.029 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 18.367 -1.901 -4.467 1.00 0.00 O +ATOM 1178 H GLU A 69 14.892 1.556 -3.648 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.077 2.525 -5.070 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.509 0.015 -5.629 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.164 0.338 -6.106 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 17.814 0.428 -3.754 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 16.153 0.053 -3.290 1.00 0.00 H +ATOM 1184 N LYS A 70 14.299 2.304 -6.811 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.650 2.663 -8.064 1.00 0.00 C +ATOM 1186 C LYS A 70 12.793 3.912 -7.901 1.00 0.00 C +ATOM 1187 O LYS A 70 12.186 4.392 -8.868 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.810 1.494 -8.578 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.616 0.247 -8.882 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.731 -0.881 -9.369 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.549 -2.117 -9.667 1.00 0.00 C +ATOM 1192 NZ LYS A 70 12.734 -3.207 -10.230 1.00 0.00 N +ATOM 1193 H LYS A 70 13.761 1.941 -6.077 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.428 2.871 -8.783 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 12.091 1.237 -7.815 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.291 1.798 -9.475 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.339 0.476 -9.650 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 14.130 -0.067 -7.985 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 12.008 -1.112 -8.600 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 12.211 -0.573 -10.264 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 14.319 -1.857 -10.377 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 14.008 -2.455 -8.749 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 12.352 -2.940 -11.161 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 11.931 -3.436 -9.609 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 13.316 -4.061 -10.344 1.00 0.00 H +ATOM 1206 N VAL A 71 12.756 4.426 -6.662 1.00 0.00 N +ATOM 1207 CA VAL A 71 11.998 5.637 -6.289 1.00 0.00 C +ATOM 1208 C VAL A 71 10.482 5.399 -6.526 1.00 0.00 C +ATOM 1209 O VAL A 71 9.712 6.301 -6.863 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.526 6.910 -7.067 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 11.924 8.211 -6.528 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 14.044 6.987 -7.000 1.00 0.00 C +ATOM 1213 H VAL A 71 13.264 3.971 -5.959 1.00 0.00 H +ATOM 1214 HA VAL A 71 12.144 5.777 -5.227 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.239 6.812 -8.104 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 12.182 8.321 -5.486 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 10.849 8.176 -6.631 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.311 9.049 -7.087 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.466 6.092 -7.432 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.356 7.076 -5.970 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.382 7.848 -7.556 1.00 0.00 H +ATOM 1222 N VAL A 72 10.050 4.189 -6.282 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.671 3.846 -6.489 1.00 0.00 C +ATOM 1224 C VAL A 72 8.124 3.078 -5.293 1.00 0.00 C +ATOM 1225 O VAL A 72 8.809 2.247 -4.691 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.456 3.050 -7.828 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.206 1.739 -7.832 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 6.974 2.830 -8.133 1.00 0.00 C +ATOM 1229 H VAL A 72 10.661 3.512 -5.919 1.00 0.00 H +ATOM 1230 HA VAL A 72 8.129 4.779 -6.558 1.00 0.00 H +ATOM 1231 HB VAL A 72 8.878 3.641 -8.626 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 10.252 1.941 -7.667 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 9.075 1.269 -8.796 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 8.822 1.102 -7.050 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.476 3.784 -8.217 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.524 2.260 -7.334 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.873 2.288 -9.064 1.00 0.00 H +ATOM 1238 N VAL A 73 6.936 3.410 -4.934 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.216 2.775 -3.890 1.00 0.00 C +ATOM 1240 C VAL A 73 5.274 1.786 -4.548 1.00 0.00 C +ATOM 1241 O VAL A 73 4.453 2.164 -5.402 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.421 3.820 -3.074 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.650 3.169 -1.957 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.348 4.894 -2.526 1.00 0.00 C +ATOM 1245 H VAL A 73 6.478 4.136 -5.411 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.909 2.256 -3.244 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.720 4.296 -3.743 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 3.949 2.461 -2.372 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 4.114 3.922 -1.398 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 5.330 2.651 -1.298 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 7.099 4.436 -1.900 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 5.776 5.603 -1.945 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 6.827 5.406 -3.347 1.00 0.00 H +ATOM 1254 N PHE A 74 5.404 0.547 -4.192 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.674 -0.499 -4.839 1.00 0.00 C +ATOM 1256 C PHE A 74 3.641 -1.073 -3.870 1.00 0.00 C +ATOM 1257 O PHE A 74 4.005 -1.623 -2.824 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.663 -1.589 -5.266 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.338 -2.266 -6.563 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.076 -2.186 -7.120 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 6.314 -2.975 -7.238 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 3.801 -2.794 -8.314 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 6.037 -3.589 -8.436 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.780 -3.496 -8.973 1.00 0.00 C +ATOM 1265 H PHE A 74 6.004 0.311 -3.447 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.197 -0.093 -5.716 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.644 -1.147 -5.370 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 5.702 -2.344 -4.494 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 3.296 -1.639 -6.611 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 7.305 -3.047 -6.814 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 2.809 -2.721 -8.736 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 6.802 -4.142 -8.960 1.00 0.00 H +ATOM 1273 HZ PHE A 74 4.562 -3.974 -9.915 1.00 0.00 H +ATOM 1274 N VAL A 75 2.375 -0.911 -4.193 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.291 -1.419 -3.362 1.00 0.00 C +ATOM 1276 C VAL A 75 1.094 -2.896 -3.639 1.00 0.00 C +ATOM 1277 O VAL A 75 0.797 -3.276 -4.774 1.00 0.00 O +ATOM 1278 CB VAL A 75 -0.034 -0.660 -3.631 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.171 -1.194 -2.761 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.155 0.836 -3.422 1.00 0.00 C +ATOM 1281 H VAL A 75 2.163 -0.446 -5.035 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.570 -1.290 -2.328 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.307 -0.826 -4.663 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.341 -2.233 -2.999 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -2.075 -0.632 -2.944 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -0.899 -1.112 -1.720 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.497 1.026 -2.416 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 -0.783 1.344 -3.586 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.891 1.204 -4.123 1.00 0.00 H +ATOM 1290 N ILE A 76 1.218 -3.710 -2.604 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.173 -5.157 -2.771 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.220 -5.698 -2.461 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.745 -6.551 -3.185 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.167 -5.864 -1.809 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.545 -5.187 -1.835 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.298 -7.341 -2.191 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.541 -5.791 -0.860 1.00 0.00 C +ATOM 1298 H ILE A 76 1.323 -3.328 -1.705 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.447 -5.403 -3.786 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.762 -5.810 -0.809 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 3.961 -5.255 -2.829 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.424 -4.144 -1.581 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 2.600 -7.418 -3.224 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 1.354 -7.847 -2.048 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 3.054 -7.797 -1.569 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 4.155 -5.699 0.145 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 5.489 -5.281 -0.937 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 4.672 -6.837 -1.095 1.00 0.00 H +ATOM 1309 N SER A 77 -0.816 -5.188 -1.407 1.00 0.00 N +ATOM 1310 CA SER A 77 -2.091 -5.669 -0.937 1.00 0.00 C +ATOM 1311 C SER A 77 -2.909 -4.513 -0.361 1.00 0.00 C +ATOM 1312 O SER A 77 -2.339 -3.520 0.143 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.832 -6.759 0.113 1.00 0.00 C +ATOM 1314 OG SER A 77 -0.864 -6.317 1.071 1.00 0.00 O +ATOM 1315 H SER A 77 -0.418 -4.457 -0.886 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.620 -6.106 -1.770 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -2.749 -6.996 0.631 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -1.446 -7.642 -0.377 1.00 0.00 H +ATOM 1319 HG SER A 77 -0.702 -7.017 1.712 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.217 -4.597 -0.456 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.060 -3.531 0.028 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.425 -4.047 0.512 1.00 0.00 C +ATOM 1323 O VAL A 78 -7.126 -4.762 -0.201 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.201 -2.382 -1.033 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.742 -2.882 -2.359 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.050 -1.247 -0.507 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.640 -5.411 -0.828 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.556 -3.125 0.893 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.209 -1.998 -1.222 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -6.722 -3.310 -2.211 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.077 -3.636 -2.754 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -5.810 -2.060 -3.056 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.598 -0.853 0.390 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -7.043 -1.611 -0.286 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.103 -0.469 -1.255 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.798 -3.701 1.723 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.077 -4.130 2.209 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.152 -4.163 3.704 1.00 0.00 C +ATOM 1339 O GLY A 79 -7.912 -3.157 4.380 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.211 -3.157 2.294 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.834 -3.461 1.831 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.269 -5.122 1.828 1.00 0.00 H +ATOM 1343 N LYS A 80 -8.476 -5.291 4.233 1.00 0.00 N +ATOM 1344 CA LYS A 80 -8.619 -5.445 5.645 1.00 0.00 C +ATOM 1345 C LYS A 80 -7.541 -6.371 6.158 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.004 -7.184 5.413 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.014 -5.965 5.989 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.139 -5.097 5.436 1.00 0.00 C +ATOM 1349 CD LYS A 80 -12.502 -5.677 5.746 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.606 -4.873 5.078 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -14.942 -5.447 5.326 1.00 0.00 N +ATOM 1352 H LYS A 80 -8.611 -6.075 3.656 1.00 0.00 H +ATOM 1353 HA LYS A 80 -8.484 -4.472 6.096 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.129 -6.967 5.604 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.111 -5.989 7.064 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.067 -4.113 5.875 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.023 -5.018 4.366 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -12.543 -6.696 5.392 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -12.651 -5.656 6.816 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -13.585 -3.864 5.464 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -13.421 -4.850 4.015 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -15.677 -4.927 4.806 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -15.177 -5.395 6.337 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -14.983 -6.447 5.043 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.236 -6.263 7.419 1.00 0.00 N +ATOM 1366 CA ALA A 81 -6.157 -7.026 8.009 1.00 0.00 C +ATOM 1367 C ALA A 81 -6.683 -8.279 8.671 1.00 0.00 C +ATOM 1368 O ALA A 81 -5.973 -8.938 9.443 1.00 0.00 O +ATOM 1369 CB ALA A 81 -5.416 -6.166 9.000 1.00 0.00 C +ATOM 1370 H ALA A 81 -7.761 -5.675 8.006 1.00 0.00 H +ATOM 1371 HA ALA A 81 -5.472 -7.304 7.221 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -6.094 -5.866 9.785 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -5.044 -5.286 8.497 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -4.600 -6.729 9.424 1.00 0.00 H +ATOM 1375 N GLU A 82 -7.901 -8.624 8.328 1.00 0.00 N +ATOM 1376 CA GLU A 82 -8.577 -9.777 8.857 1.00 0.00 C +ATOM 1377 C GLU A 82 -7.832 -11.017 8.418 1.00 0.00 C +ATOM 1378 O GLU A 82 -7.500 -11.159 7.229 1.00 0.00 O +ATOM 1379 CB GLU A 82 -10.019 -9.806 8.349 1.00 0.00 C +ATOM 1380 CG GLU A 82 -10.767 -8.509 8.606 1.00 0.00 C +ATOM 1381 CD GLU A 82 -12.198 -8.529 8.146 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -12.456 -8.898 6.981 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -13.104 -8.181 8.951 1.00 0.00 O +ATOM 1384 H GLU A 82 -8.364 -8.080 7.662 1.00 0.00 H +ATOM 1385 HA GLU A 82 -8.578 -9.716 9.935 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -10.010 -9.988 7.285 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -10.550 -10.605 8.842 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -10.754 -8.306 9.666 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -10.247 -7.716 8.090 1.00 0.00 H +ATOM 1390 N ALA A 83 -7.482 -11.849 9.392 1.00 0.00 N +ATOM 1391 CA ALA A 83 -6.740 -13.098 9.187 1.00 0.00 C +ATOM 1392 C ALA A 83 -5.299 -12.830 8.733 1.00 0.00 C +ATOM 1393 O ALA A 83 -4.581 -13.751 8.366 1.00 0.00 O +ATOM 1394 CB ALA A 83 -7.470 -14.026 8.213 1.00 0.00 C +ATOM 1395 H ALA A 83 -7.731 -11.615 10.311 1.00 0.00 H +ATOM 1396 HA ALA A 83 -6.691 -13.585 10.151 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -7.528 -13.534 7.253 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -8.466 -14.221 8.582 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -6.929 -14.955 8.113 1.00 0.00 H +ATOM 1400 N SER A 84 -4.886 -11.551 8.796 1.00 0.00 N +ATOM 1401 CA SER A 84 -3.551 -11.103 8.401 1.00 0.00 C +ATOM 1402 C SER A 84 -3.263 -11.349 6.897 1.00 0.00 C +ATOM 1403 O SER A 84 -2.100 -11.419 6.484 1.00 0.00 O +ATOM 1404 CB SER A 84 -2.488 -11.755 9.301 1.00 0.00 C +ATOM 1405 OG SER A 84 -2.768 -11.468 10.672 1.00 0.00 O +ATOM 1406 H SER A 84 -5.514 -10.881 9.148 1.00 0.00 H +ATOM 1407 HA SER A 84 -3.532 -10.037 8.570 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -2.498 -12.826 9.154 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -1.515 -11.358 9.052 1.00 0.00 H +ATOM 1410 HG SER A 84 -3.705 -11.671 10.814 1.00 0.00 H +ATOM 1411 N GLU A 85 -4.324 -11.369 6.077 1.00 0.00 N +ATOM 1412 CA GLU A 85 -4.202 -11.615 4.639 1.00 0.00 C +ATOM 1413 C GLU A 85 -3.291 -10.616 3.938 1.00 0.00 C +ATOM 1414 O GLU A 85 -2.430 -11.011 3.149 1.00 0.00 O +ATOM 1415 CB GLU A 85 -5.572 -11.627 3.982 1.00 0.00 C +ATOM 1416 CG GLU A 85 -6.397 -12.845 4.327 1.00 0.00 C +ATOM 1417 CD GLU A 85 -5.714 -14.118 3.891 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -5.787 -14.475 2.694 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -5.081 -14.787 4.724 1.00 0.00 O +ATOM 1420 H GLU A 85 -5.227 -11.248 6.443 1.00 0.00 H +ATOM 1421 HA GLU A 85 -3.770 -12.599 4.524 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -6.117 -10.748 4.295 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -5.435 -11.596 2.915 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -6.548 -12.877 5.396 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -7.352 -12.776 3.827 1.00 0.00 H +ATOM 1426 N VAL A 86 -3.445 -9.337 4.263 1.00 0.00 N +ATOM 1427 CA VAL A 86 -2.620 -8.286 3.653 1.00 0.00 C +ATOM 1428 C VAL A 86 -1.130 -8.449 3.985 1.00 0.00 C +ATOM 1429 O VAL A 86 -0.274 -8.047 3.208 1.00 0.00 O +ATOM 1430 CB VAL A 86 -3.099 -6.845 4.015 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -4.464 -6.555 3.411 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -3.136 -6.630 5.521 1.00 0.00 C +ATOM 1433 H VAL A 86 -4.143 -9.093 4.901 1.00 0.00 H +ATOM 1434 HA VAL A 86 -2.715 -8.416 2.586 1.00 0.00 H +ATOM 1435 HB VAL A 86 -2.396 -6.146 3.586 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -4.779 -5.562 3.696 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -5.182 -7.277 3.770 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -4.405 -6.614 2.334 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -3.799 -7.357 5.967 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -3.493 -5.633 5.736 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -2.143 -6.752 5.929 1.00 0.00 H +ATOM 1442 N TYR A 87 -0.836 -9.075 5.115 1.00 0.00 N +ATOM 1443 CA TYR A 87 0.538 -9.297 5.528 1.00 0.00 C +ATOM 1444 C TYR A 87 1.063 -10.527 4.836 1.00 0.00 C +ATOM 1445 O TYR A 87 2.165 -10.525 4.301 1.00 0.00 O +ATOM 1446 CB TYR A 87 0.641 -9.495 7.044 1.00 0.00 C +ATOM 1447 CG TYR A 87 0.176 -8.325 7.868 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 -1.161 -8.162 8.177 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 1.075 -7.390 8.351 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 -1.592 -7.105 8.934 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 0.650 -6.329 9.118 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -0.689 -6.193 9.406 1.00 0.00 C +ATOM 1453 OH TYR A 87 -1.131 -5.140 10.176 1.00 0.00 O +ATOM 1454 H TYR A 87 -1.565 -9.428 5.666 1.00 0.00 H +ATOM 1455 HA TYR A 87 1.127 -8.441 5.237 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 0.042 -10.349 7.322 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 1.671 -9.695 7.297 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 -1.872 -8.883 7.802 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 2.123 -7.501 8.119 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 -2.640 -6.997 9.160 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 1.368 -5.613 9.485 1.00 0.00 H +ATOM 1462 HH TYR A 87 -1.755 -5.502 10.821 1.00 0.00 H +ATOM 1463 N SER A 88 0.241 -11.569 4.824 1.00 0.00 N +ATOM 1464 CA SER A 88 0.592 -12.827 4.208 1.00 0.00 C +ATOM 1465 C SER A 88 0.907 -12.628 2.723 1.00 0.00 C +ATOM 1466 O SER A 88 1.965 -13.026 2.266 1.00 0.00 O +ATOM 1467 CB SER A 88 -0.537 -13.860 4.403 1.00 0.00 C +ATOM 1468 OG SER A 88 -0.181 -15.156 3.898 1.00 0.00 O +ATOM 1469 H SER A 88 -0.632 -11.489 5.268 1.00 0.00 H +ATOM 1470 HA SER A 88 1.482 -13.191 4.701 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -0.766 -13.950 5.454 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -1.409 -13.513 3.869 1.00 0.00 H +ATOM 1473 HG SER A 88 -1.016 -15.569 3.641 1.00 0.00 H +ATOM 1474 N GLU A 89 0.025 -11.937 2.004 1.00 0.00 N +ATOM 1475 CA GLU A 89 0.196 -11.715 0.564 1.00 0.00 C +ATOM 1476 C GLU A 89 1.483 -10.909 0.286 1.00 0.00 C +ATOM 1477 O GLU A 89 2.142 -11.088 -0.743 1.00 0.00 O +ATOM 1478 CB GLU A 89 -1.036 -10.986 0.004 1.00 0.00 C +ATOM 1479 CG GLU A 89 -1.101 -10.924 -1.518 1.00 0.00 C +ATOM 1480 CD GLU A 89 -1.136 -12.300 -2.142 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -2.133 -13.031 -1.945 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -0.178 -12.679 -2.837 1.00 0.00 O +ATOM 1483 H GLU A 89 -0.775 -11.566 2.441 1.00 0.00 H +ATOM 1484 HA GLU A 89 0.282 -12.682 0.090 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -1.923 -11.493 0.354 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -1.039 -9.975 0.384 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -1.995 -10.391 -1.807 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -0.232 -10.399 -1.885 1.00 0.00 H +ATOM 1489 N ALA A 90 1.856 -10.069 1.232 1.00 0.00 N +ATOM 1490 CA ALA A 90 3.038 -9.255 1.102 1.00 0.00 C +ATOM 1491 C ALA A 90 4.305 -10.070 1.372 1.00 0.00 C +ATOM 1492 O ALA A 90 5.281 -9.982 0.625 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.960 -8.046 2.023 1.00 0.00 C +ATOM 1494 H ALA A 90 1.316 -10.008 2.048 1.00 0.00 H +ATOM 1495 HA ALA A 90 3.075 -8.904 0.084 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 2.945 -8.380 3.050 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 2.056 -7.492 1.813 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 3.818 -7.412 1.861 1.00 0.00 H +ATOM 1499 N VAL A 91 4.285 -10.879 2.419 1.00 0.00 N +ATOM 1500 CA VAL A 91 5.459 -11.659 2.787 1.00 0.00 C +ATOM 1501 C VAL A 91 5.635 -12.901 1.882 1.00 0.00 C +ATOM 1502 O VAL A 91 6.764 -13.282 1.553 1.00 0.00 O +ATOM 1503 CB VAL A 91 5.472 -12.036 4.303 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 4.339 -12.968 4.676 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 6.811 -12.612 4.717 1.00 0.00 C +ATOM 1506 H VAL A 91 3.470 -10.933 2.967 1.00 0.00 H +ATOM 1507 HA VAL A 91 6.305 -11.016 2.588 1.00 0.00 H +ATOM 1508 HB VAL A 91 5.321 -11.120 4.856 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 4.416 -13.881 4.105 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 3.400 -12.483 4.455 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 4.392 -13.196 5.730 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 7.018 -13.497 4.135 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 6.779 -12.869 5.766 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 7.586 -11.879 4.549 1.00 0.00 H +ATOM 1515 N LYS A 92 4.514 -13.492 1.437 1.00 0.00 N +ATOM 1516 CA LYS A 92 4.543 -14.653 0.522 1.00 0.00 C +ATOM 1517 C LYS A 92 5.128 -14.246 -0.825 1.00 0.00 C +ATOM 1518 O LYS A 92 5.585 -15.084 -1.592 1.00 0.00 O +ATOM 1519 CB LYS A 92 3.129 -15.247 0.278 1.00 0.00 C +ATOM 1520 CG LYS A 92 2.422 -15.896 1.476 1.00 0.00 C +ATOM 1521 CD LYS A 92 3.193 -17.069 2.052 1.00 0.00 C +ATOM 1522 CE LYS A 92 2.354 -17.844 3.075 1.00 0.00 C +ATOM 1523 NZ LYS A 92 1.894 -17.016 4.219 1.00 0.00 N +ATOM 1524 H LYS A 92 3.643 -13.149 1.745 1.00 0.00 H +ATOM 1525 HA LYS A 92 5.174 -15.409 0.964 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 2.486 -14.447 -0.061 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 3.203 -15.981 -0.509 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 2.297 -15.153 2.250 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 1.449 -16.238 1.154 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 3.473 -17.735 1.250 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 4.081 -16.695 2.539 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 1.484 -18.235 2.569 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 2.936 -18.671 3.450 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 2.688 -16.576 4.728 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 1.398 -17.618 4.908 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 1.226 -16.266 3.936 1.00 0.00 H +ATOM 1537 N ARG A 93 5.096 -12.955 -1.100 1.00 0.00 N +ATOM 1538 CA ARG A 93 5.611 -12.405 -2.335 1.00 0.00 C +ATOM 1539 C ARG A 93 7.114 -12.574 -2.443 1.00 0.00 C +ATOM 1540 O ARG A 93 7.646 -12.839 -3.524 1.00 0.00 O +ATOM 1541 CB ARG A 93 5.288 -10.919 -2.435 1.00 0.00 C +ATOM 1542 CG ARG A 93 5.868 -10.262 -3.671 1.00 0.00 C +ATOM 1543 CD ARG A 93 5.792 -8.766 -3.592 1.00 0.00 C +ATOM 1544 NE ARG A 93 6.304 -8.145 -4.809 1.00 0.00 N +ATOM 1545 CZ ARG A 93 5.769 -7.072 -5.363 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 4.871 -6.383 -4.697 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 6.162 -6.663 -6.553 1.00 0.00 N +ATOM 1548 H ARG A 93 4.700 -12.353 -0.436 1.00 0.00 H +ATOM 1549 HA ARG A 93 5.141 -12.910 -3.158 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 4.215 -10.798 -2.456 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 5.681 -10.417 -1.563 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 6.903 -10.555 -3.763 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 5.323 -10.604 -4.538 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 4.761 -8.477 -3.456 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 6.378 -8.427 -2.751 1.00 0.00 H +ATOM 1556 HE ARG A 93 7.053 -8.620 -5.240 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 4.588 -6.621 -3.771 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 4.358 -5.612 -5.122 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 6.880 -7.142 -7.069 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 5.709 -5.882 -6.991 1.00 0.00 H +ATOM 1561 N ILE A 94 7.769 -12.445 -1.326 1.00 0.00 N +ATOM 1562 CA ILE A 94 9.206 -12.389 -1.270 1.00 0.00 C +ATOM 1563 C ILE A 94 9.862 -13.642 -1.810 1.00 0.00 C +ATOM 1564 O ILE A 94 9.511 -14.771 -1.448 1.00 0.00 O +ATOM 1565 CB ILE A 94 9.680 -12.075 0.149 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 9.021 -10.777 0.591 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 11.208 -11.937 0.201 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 9.277 -10.439 2.007 1.00 0.00 C +ATOM 1569 H ILE A 94 7.262 -12.415 -0.487 1.00 0.00 H +ATOM 1570 HA ILE A 94 9.506 -11.568 -1.903 1.00 0.00 H +ATOM 1571 HB ILE A 94 9.367 -12.862 0.819 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 9.394 -9.965 -0.015 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 7.952 -10.855 0.451 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 11.522 -11.751 1.218 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 11.512 -11.110 -0.424 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 11.666 -12.845 -0.162 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 10.347 -10.364 2.132 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 8.867 -11.247 2.594 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 8.790 -9.504 2.235 1.00 0.00 H +ATOM 1580 N LEU A 95 10.769 -13.411 -2.706 1.00 0.00 N +ATOM 1581 CA LEU A 95 11.531 -14.424 -3.354 1.00 0.00 C +ATOM 1582 C LEU A 95 12.592 -14.925 -2.402 1.00 0.00 C +ATOM 1583 O LEU A 95 12.389 -15.966 -1.754 1.00 0.00 O +ATOM 1584 CB LEU A 95 12.188 -13.814 -4.581 1.00 0.00 C +ATOM 1585 CG LEU A 95 11.247 -13.234 -5.647 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 12.040 -12.649 -6.805 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 10.270 -14.291 -6.148 1.00 0.00 C +ATOM 1588 OXT LEU A 95 13.634 -14.253 -2.260 1.00 0.00 O +ATOM 1589 H LEU A 95 10.950 -12.481 -2.953 1.00 0.00 H +ATOM 1590 HA LEU A 95 10.887 -15.232 -3.665 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 12.772 -12.995 -4.184 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 12.844 -14.542 -5.033 1.00 0.00 H +ATOM 1593 HG LEU A 95 10.678 -12.431 -5.203 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 12.638 -13.423 -7.262 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 12.685 -11.865 -6.438 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 11.360 -12.237 -7.536 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 9.640 -13.861 -6.912 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 9.653 -14.630 -5.328 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 10.816 -15.128 -6.557 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 19 +ATOM 1 N MET A 1 10.299 15.261 -2.120 1.00 0.00 N +ATOM 2 CA MET A 1 10.644 14.142 -2.986 1.00 0.00 C +ATOM 3 C MET A 1 9.410 13.334 -3.179 1.00 0.00 C +ATOM 4 O MET A 1 8.705 13.069 -2.225 1.00 0.00 O +ATOM 5 CB MET A 1 11.724 13.269 -2.342 1.00 0.00 C +ATOM 6 CG MET A 1 12.217 12.118 -3.220 1.00 0.00 C +ATOM 7 SD MET A 1 13.476 11.097 -2.409 1.00 0.00 S +ATOM 8 CE MET A 1 13.830 9.911 -3.714 1.00 0.00 C +ATOM 9 H MET A 1 9.935 14.915 -1.211 1.00 0.00 H +ATOM 10 HA MET A 1 10.990 14.516 -3.938 1.00 0.00 H +ATOM 11 HB2 MET A 1 12.568 13.891 -2.084 1.00 0.00 H +ATOM 12 HB3 MET A 1 11.298 12.845 -1.446 1.00 0.00 H +ATOM 13 HG2 MET A 1 11.374 11.490 -3.468 1.00 0.00 H +ATOM 14 HG3 MET A 1 12.632 12.526 -4.129 1.00 0.00 H +ATOM 15 HE1 MET A 1 12.926 9.376 -3.967 1.00 0.00 H +ATOM 16 HE2 MET A 1 14.576 9.210 -3.369 1.00 0.00 H +ATOM 17 HE3 MET A 1 14.199 10.432 -4.585 1.00 0.00 H +ATOM 18 N ALA A 2 9.151 12.950 -4.388 1.00 0.00 N +ATOM 19 CA ALA A 2 7.968 12.190 -4.708 1.00 0.00 C +ATOM 20 C ALA A 2 8.361 10.862 -5.309 1.00 0.00 C +ATOM 21 O ALA A 2 9.437 10.733 -5.901 1.00 0.00 O +ATOM 22 CB ALA A 2 7.068 12.964 -5.657 1.00 0.00 C +ATOM 23 H ALA A 2 9.807 13.150 -5.090 1.00 0.00 H +ATOM 24 HA ALA A 2 7.429 12.013 -3.788 1.00 0.00 H +ATOM 25 HB1 ALA A 2 6.809 13.912 -5.210 1.00 0.00 H +ATOM 26 HB2 ALA A 2 6.168 12.394 -5.834 1.00 0.00 H +ATOM 27 HB3 ALA A 2 7.581 13.134 -6.592 1.00 0.00 H +ATOM 28 N TYR A 3 7.522 9.890 -5.147 1.00 0.00 N +ATOM 29 CA TYR A 3 7.781 8.559 -5.637 1.00 0.00 C +ATOM 30 C TYR A 3 6.681 8.157 -6.597 1.00 0.00 C +ATOM 31 O TYR A 3 5.601 8.756 -6.597 1.00 0.00 O +ATOM 32 CB TYR A 3 7.829 7.552 -4.471 1.00 0.00 C +ATOM 33 CG TYR A 3 8.985 7.720 -3.487 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.082 8.836 -2.664 1.00 0.00 C +ATOM 35 CD2 TYR A 3 9.966 6.747 -3.378 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.120 8.979 -1.769 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.004 6.880 -2.477 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.076 7.995 -1.677 1.00 0.00 C +ATOM 39 OH TYR A 3 12.111 8.125 -0.775 1.00 0.00 O +ATOM 40 H TYR A 3 6.669 10.058 -4.694 1.00 0.00 H +ATOM 41 HA TYR A 3 8.732 8.553 -6.147 1.00 0.00 H +ATOM 42 HB2 TYR A 3 6.915 7.639 -3.903 1.00 0.00 H +ATOM 43 HB3 TYR A 3 7.886 6.555 -4.883 1.00 0.00 H +ATOM 44 HD1 TYR A 3 8.328 9.608 -2.737 1.00 0.00 H +ATOM 45 HD2 TYR A 3 9.911 5.871 -4.007 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.176 9.855 -1.141 1.00 0.00 H +ATOM 47 HE2 TYR A 3 11.761 6.114 -2.401 1.00 0.00 H +ATOM 48 HH TYR A 3 12.894 7.692 -1.158 1.00 0.00 H +ATOM 49 N PHE A 4 6.952 7.176 -7.411 1.00 0.00 N +ATOM 50 CA PHE A 4 5.966 6.640 -8.322 1.00 0.00 C +ATOM 51 C PHE A 4 5.068 5.685 -7.550 1.00 0.00 C +ATOM 52 O PHE A 4 5.439 5.232 -6.480 1.00 0.00 O +ATOM 53 CB PHE A 4 6.649 5.921 -9.493 1.00 0.00 C +ATOM 54 CG PHE A 4 7.482 6.824 -10.361 1.00 0.00 C +ATOM 55 CD1 PHE A 4 6.879 7.714 -11.235 1.00 0.00 C +ATOM 56 CD2 PHE A 4 8.867 6.790 -10.298 1.00 0.00 C +ATOM 57 CE1 PHE A 4 7.637 8.549 -12.029 1.00 0.00 C +ATOM 58 CE2 PHE A 4 9.631 7.624 -11.090 1.00 0.00 C +ATOM 59 CZ PHE A 4 9.016 8.504 -11.957 1.00 0.00 C +ATOM 60 H PHE A 4 7.854 6.782 -7.396 1.00 0.00 H +ATOM 61 HA PHE A 4 5.371 7.460 -8.696 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.309 5.166 -9.091 1.00 0.00 H +ATOM 63 HB3 PHE A 4 5.906 5.439 -10.111 1.00 0.00 H +ATOM 64 HD1 PHE A 4 5.800 7.750 -11.293 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.349 6.102 -9.621 1.00 0.00 H +ATOM 66 HE1 PHE A 4 7.154 9.238 -12.707 1.00 0.00 H +ATOM 67 HE2 PHE A 4 10.710 7.587 -11.031 1.00 0.00 H +ATOM 68 HZ PHE A 4 9.611 9.158 -12.578 1.00 0.00 H +ATOM 69 N LEU A 5 3.908 5.400 -8.056 1.00 0.00 N +ATOM 70 CA LEU A 5 2.989 4.519 -7.361 1.00 0.00 C +ATOM 71 C LEU A 5 2.589 3.395 -8.325 1.00 0.00 C +ATOM 72 O LEU A 5 2.258 3.664 -9.497 1.00 0.00 O +ATOM 73 CB LEU A 5 1.744 5.338 -6.905 1.00 0.00 C +ATOM 74 CG LEU A 5 0.903 4.820 -5.702 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.345 3.430 -5.920 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.702 4.879 -4.417 1.00 0.00 C +ATOM 77 H LEU A 5 3.646 5.769 -8.928 1.00 0.00 H +ATOM 78 HA LEU A 5 3.489 4.103 -6.499 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.083 6.332 -6.654 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.087 5.421 -7.759 1.00 0.00 H +ATOM 81 HG LEU A 5 0.053 5.479 -5.582 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.180 3.107 -5.033 1.00 0.00 H +ATOM 83 HD12 LEU A 5 1.157 2.748 -6.123 1.00 0.00 H +ATOM 84 HD13 LEU A 5 -0.337 3.440 -6.758 1.00 0.00 H +ATOM 85 HD21 LEU A 5 1.101 4.500 -3.605 1.00 0.00 H +ATOM 86 HD22 LEU A 5 1.972 5.904 -4.209 1.00 0.00 H +ATOM 87 HD23 LEU A 5 2.591 4.276 -4.518 1.00 0.00 H +ATOM 88 N ASP A 6 2.655 2.157 -7.872 1.00 0.00 N +ATOM 89 CA ASP A 6 2.235 1.026 -8.691 1.00 0.00 C +ATOM 90 C ASP A 6 1.592 -0.033 -7.791 1.00 0.00 C +ATOM 91 O ASP A 6 1.869 -0.072 -6.587 1.00 0.00 O +ATOM 92 CB ASP A 6 3.427 0.431 -9.458 1.00 0.00 C +ATOM 93 CG ASP A 6 2.985 -0.443 -10.613 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.694 -1.617 -10.417 1.00 0.00 O +ATOM 95 OD2 ASP A 6 2.884 0.069 -11.745 1.00 0.00 O +ATOM 96 H ASP A 6 2.988 1.976 -6.963 1.00 0.00 H +ATOM 97 HA ASP A 6 1.494 1.384 -9.390 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.038 1.231 -9.850 1.00 0.00 H +ATOM 99 HB3 ASP A 6 4.012 -0.170 -8.778 1.00 0.00 H +ATOM 100 N PHE A 7 0.739 -0.866 -8.353 1.00 0.00 N +ATOM 101 CA PHE A 7 0.019 -1.884 -7.599 1.00 0.00 C +ATOM 102 C PHE A 7 0.338 -3.277 -8.114 1.00 0.00 C +ATOM 103 O PHE A 7 0.401 -3.501 -9.332 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.514 -1.689 -7.714 1.00 0.00 C +ATOM 105 CG PHE A 7 -2.076 -0.438 -7.094 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -2.070 0.763 -7.781 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.628 -0.474 -5.827 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.599 1.904 -7.214 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -3.160 0.664 -5.255 1.00 0.00 C +ATOM 110 CZ PHE A 7 -3.145 1.855 -5.950 1.00 0.00 C +ATOM 111 H PHE A 7 0.611 -0.827 -9.324 1.00 0.00 H +ATOM 112 HA PHE A 7 0.295 -1.803 -6.559 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.791 -1.681 -8.757 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.995 -2.536 -7.247 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.643 0.803 -8.772 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.637 -1.404 -5.280 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.583 2.836 -7.760 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.588 0.623 -4.265 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.560 2.748 -5.505 1.00 0.00 H +ATOM 120 N ASP A 8 0.545 -4.200 -7.203 1.00 0.00 N +ATOM 121 CA ASP A 8 0.660 -5.622 -7.540 1.00 0.00 C +ATOM 122 C ASP A 8 -0.669 -6.089 -8.124 1.00 0.00 C +ATOM 123 O ASP A 8 -1.704 -5.484 -7.824 1.00 0.00 O +ATOM 124 CB ASP A 8 0.991 -6.444 -6.284 1.00 0.00 C +ATOM 125 CG ASP A 8 0.899 -7.930 -6.525 1.00 0.00 C +ATOM 126 OD1 ASP A 8 1.833 -8.527 -7.080 1.00 0.00 O +ATOM 127 OD2 ASP A 8 -0.137 -8.526 -6.197 1.00 0.00 O +ATOM 128 H ASP A 8 0.636 -3.935 -6.261 1.00 0.00 H +ATOM 129 HA ASP A 8 1.442 -5.742 -8.276 1.00 0.00 H +ATOM 130 HB2 ASP A 8 1.997 -6.212 -5.964 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.300 -6.178 -5.499 1.00 0.00 H +ATOM 132 N GLU A 9 -0.660 -7.140 -8.946 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.883 -7.625 -9.572 1.00 0.00 C +ATOM 134 C GLU A 9 -2.984 -7.905 -8.539 1.00 0.00 C +ATOM 135 O GLU A 9 -4.131 -7.515 -8.746 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.649 -8.886 -10.413 1.00 0.00 C +ATOM 137 CG GLU A 9 -1.118 -10.075 -9.641 1.00 0.00 C +ATOM 138 CD GLU A 9 -1.280 -11.355 -10.392 1.00 0.00 C +ATOM 139 OE1 GLU A 9 -0.408 -11.702 -11.213 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -2.284 -12.051 -10.169 1.00 0.00 O +ATOM 141 H GLU A 9 0.189 -7.601 -9.126 1.00 0.00 H +ATOM 142 HA GLU A 9 -2.235 -6.839 -10.224 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -2.586 -9.180 -10.864 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.946 -8.648 -11.198 1.00 0.00 H +ATOM 145 HG2 GLU A 9 -0.070 -9.926 -9.429 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -1.662 -10.150 -8.712 1.00 0.00 H +ATOM 147 N ARG A 10 -2.627 -8.510 -7.403 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.615 -8.862 -6.409 1.00 0.00 C +ATOM 149 C ARG A 10 -4.121 -7.637 -5.711 1.00 0.00 C +ATOM 150 O ARG A 10 -5.321 -7.511 -5.452 1.00 0.00 O +ATOM 151 CB ARG A 10 -3.107 -9.901 -5.416 1.00 0.00 C +ATOM 152 CG ARG A 10 -2.794 -11.249 -6.045 1.00 0.00 C +ATOM 153 CD ARG A 10 -2.521 -12.281 -4.977 1.00 0.00 C +ATOM 154 NE ARG A 10 -2.289 -13.617 -5.524 1.00 0.00 N +ATOM 155 CZ ARG A 10 -2.368 -14.749 -4.809 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -2.676 -14.706 -3.516 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -2.130 -15.923 -5.389 1.00 0.00 N +ATOM 158 H ARG A 10 -1.674 -8.684 -7.210 1.00 0.00 H +ATOM 159 HA ARG A 10 -4.448 -9.277 -6.951 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -2.205 -9.528 -4.955 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.857 -10.050 -4.654 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -3.628 -11.570 -6.651 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -1.916 -11.150 -6.667 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -1.644 -11.983 -4.423 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -3.368 -12.320 -4.308 1.00 0.00 H +ATOM 166 HE ARG A 10 -2.055 -13.637 -6.481 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -2.855 -13.846 -3.016 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -2.738 -15.533 -2.952 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -1.895 -15.996 -6.360 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -2.162 -16.783 -4.872 1.00 0.00 H +ATOM 171 N ALA A 11 -3.223 -6.707 -5.473 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.577 -5.445 -4.866 1.00 0.00 C +ATOM 173 C ALA A 11 -4.493 -4.664 -5.801 1.00 0.00 C +ATOM 174 O ALA A 11 -5.405 -3.988 -5.367 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.329 -4.638 -4.547 1.00 0.00 C +ATOM 176 H ALA A 11 -2.287 -6.885 -5.709 1.00 0.00 H +ATOM 177 HA ALA A 11 -4.106 -5.651 -3.947 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.691 -5.201 -3.881 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -2.614 -3.710 -4.073 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -1.795 -4.426 -5.461 1.00 0.00 H +ATOM 181 N LEU A 12 -4.278 -4.824 -7.095 1.00 0.00 N +ATOM 182 CA LEU A 12 -5.054 -4.128 -8.093 1.00 0.00 C +ATOM 183 C LEU A 12 -6.449 -4.734 -8.177 1.00 0.00 C +ATOM 184 O LEU A 12 -7.424 -4.032 -8.447 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.369 -4.180 -9.462 1.00 0.00 C +ATOM 186 CG LEU A 12 -4.978 -3.307 -10.568 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -4.895 -1.828 -10.209 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -4.290 -3.580 -11.897 1.00 0.00 C +ATOM 189 H LEU A 12 -3.568 -5.446 -7.375 1.00 0.00 H +ATOM 190 HA LEU A 12 -5.135 -3.099 -7.777 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -3.326 -3.923 -9.351 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -4.445 -5.203 -9.791 1.00 0.00 H +ATOM 193 HG LEU A 12 -6.023 -3.558 -10.670 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -5.314 -1.240 -11.013 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -3.863 -1.549 -10.057 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -5.455 -1.645 -9.305 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -4.415 -4.618 -12.162 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -3.237 -3.358 -11.809 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.726 -2.955 -12.663 1.00 0.00 H +ATOM 200 N LYS A 13 -6.538 -6.044 -7.971 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.821 -6.744 -7.988 1.00 0.00 C +ATOM 202 C LYS A 13 -8.658 -6.273 -6.822 1.00 0.00 C +ATOM 203 O LYS A 13 -9.827 -5.944 -6.982 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.603 -8.254 -7.892 1.00 0.00 C +ATOM 205 CG LYS A 13 -6.797 -8.821 -9.038 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.344 -10.232 -8.764 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.377 -10.709 -9.842 1.00 0.00 C +ATOM 208 NZ LYS A 13 -4.926 -12.101 -9.628 1.00 0.00 N +ATOM 209 H LYS A 13 -5.717 -6.558 -7.798 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.327 -6.512 -8.914 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -7.079 -8.467 -6.971 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.565 -8.744 -7.874 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.408 -8.816 -9.926 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -5.930 -8.196 -9.197 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -5.831 -10.202 -7.816 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -7.202 -10.885 -8.709 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -5.879 -10.656 -10.796 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -4.519 -10.054 -9.850 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -4.672 -12.320 -8.644 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -4.035 -12.253 -10.156 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -5.615 -12.801 -9.969 1.00 0.00 H +ATOM 222 N GLU A 14 -8.026 -6.174 -5.664 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.688 -5.695 -4.478 1.00 0.00 C +ATOM 224 C GLU A 14 -9.041 -4.218 -4.624 1.00 0.00 C +ATOM 225 O GLU A 14 -10.095 -3.805 -4.230 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.806 -5.916 -3.263 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.490 -7.376 -2.995 1.00 0.00 C +ATOM 228 CD GLU A 14 -8.714 -8.198 -2.671 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -9.322 -7.990 -1.604 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -9.088 -9.078 -3.470 1.00 0.00 O +ATOM 231 H GLU A 14 -7.088 -6.459 -5.582 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.598 -6.261 -4.357 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.875 -5.389 -3.411 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.302 -5.513 -2.393 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -7.032 -7.785 -3.884 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.787 -7.440 -2.180 1.00 0.00 H +ATOM 237 N TRP A 15 -8.150 -3.458 -5.233 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.339 -2.022 -5.480 1.00 0.00 C +ATOM 239 C TRP A 15 -9.578 -1.759 -6.357 1.00 0.00 C +ATOM 240 O TRP A 15 -10.332 -0.811 -6.126 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.068 -1.461 -6.149 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.135 -0.026 -6.556 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.406 0.450 -7.801 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.911 1.117 -5.725 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.385 1.820 -7.797 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -7.077 2.257 -6.534 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.590 1.288 -4.374 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.931 3.548 -6.039 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.444 2.570 -3.887 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.614 3.684 -4.716 1.00 0.00 C +ATOM 251 H TRP A 15 -7.297 -3.865 -5.502 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.474 -1.533 -4.527 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.236 -1.567 -5.469 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -6.869 -2.050 -7.032 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -7.613 -0.187 -8.650 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.567 2.384 -8.582 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.457 0.438 -3.720 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -7.058 4.419 -6.666 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -6.194 2.722 -2.848 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.488 4.666 -4.287 1.00 0.00 H +ATOM 261 N ARG A 16 -9.777 -2.592 -7.352 1.00 0.00 N +ATOM 262 CA ARG A 16 -10.934 -2.469 -8.239 1.00 0.00 C +ATOM 263 C ARG A 16 -12.200 -2.929 -7.544 1.00 0.00 C +ATOM 264 O ARG A 16 -13.288 -2.383 -7.753 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.701 -3.268 -9.501 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.700 -2.640 -10.439 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.327 -3.597 -11.536 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.400 -4.630 -11.054 1.00 0.00 N +ATOM 269 CZ ARG A 16 -8.188 -5.804 -11.652 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -9.063 -6.273 -12.525 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -7.146 -6.543 -11.309 1.00 0.00 N +ATOM 272 H ARG A 16 -9.122 -3.311 -7.491 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.042 -1.429 -8.502 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.340 -4.251 -9.229 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.639 -3.370 -10.027 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.116 -1.743 -10.874 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.809 -2.395 -9.879 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -10.236 -4.075 -11.869 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -8.869 -3.051 -12.348 1.00 0.00 H +ATOM 280 HE ARG A 16 -7.867 -4.343 -10.277 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -9.907 -5.786 -12.765 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -8.924 -7.149 -12.997 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -6.474 -6.289 -10.614 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -6.979 -7.424 -11.767 1.00 0.00 H +ATOM 285 N LYS A 17 -12.027 -3.909 -6.708 1.00 0.00 N +ATOM 286 CA LYS A 17 -13.092 -4.511 -5.930 1.00 0.00 C +ATOM 287 C LYS A 17 -13.487 -3.608 -4.762 1.00 0.00 C +ATOM 288 O LYS A 17 -14.577 -3.746 -4.194 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.573 -5.832 -5.395 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.570 -6.706 -4.652 1.00 0.00 C +ATOM 291 CD LYS A 17 -12.866 -7.917 -4.050 1.00 0.00 C +ATOM 292 CE LYS A 17 -12.104 -8.693 -5.107 1.00 0.00 C +ATOM 293 NZ LYS A 17 -11.380 -9.844 -4.543 1.00 0.00 N +ATOM 294 H LYS A 17 -11.120 -4.275 -6.626 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.941 -4.703 -6.565 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -12.205 -6.390 -6.242 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.741 -5.623 -4.737 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -14.027 -6.128 -3.861 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -14.325 -7.047 -5.343 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -12.169 -7.584 -3.296 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -13.602 -8.566 -3.601 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -12.792 -9.019 -5.872 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -11.389 -8.000 -5.527 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -10.591 -9.522 -3.936 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -10.986 -10.451 -5.286 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -12.002 -10.435 -3.956 1.00 0.00 H +ATOM 307 N LEU A 18 -12.607 -2.705 -4.413 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.821 -1.835 -3.297 1.00 0.00 C +ATOM 309 C LEU A 18 -13.875 -0.797 -3.604 1.00 0.00 C +ATOM 310 O LEU A 18 -14.186 -0.529 -4.771 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.524 -1.144 -2.867 1.00 0.00 C +ATOM 312 CG LEU A 18 -10.996 -1.481 -1.465 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.751 -2.972 -1.293 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.730 -0.711 -1.199 1.00 0.00 C +ATOM 315 H LEU A 18 -11.778 -2.628 -4.929 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.140 -2.491 -2.501 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.752 -1.348 -3.591 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.714 -0.080 -2.892 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.727 -1.179 -0.732 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -11.677 -3.513 -1.426 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -10.368 -3.161 -0.301 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -10.032 -3.303 -2.027 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -9.943 0.348 -1.261 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -8.981 -0.973 -1.931 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.367 -0.943 -0.209 1.00 0.00 H +ATOM 326 N GLY A 19 -14.390 -0.199 -2.560 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.414 0.784 -2.698 1.00 0.00 C +ATOM 328 C GLY A 19 -14.869 2.097 -3.200 1.00 0.00 C +ATOM 329 O GLY A 19 -13.704 2.427 -2.949 1.00 0.00 O +ATOM 330 H GLY A 19 -14.041 -0.428 -1.677 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.148 0.411 -3.397 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -15.885 0.941 -1.739 1.00 0.00 H +ATOM 333 N SER A 20 -15.712 2.836 -3.867 1.00 0.00 N +ATOM 334 CA SER A 20 -15.401 4.120 -4.466 1.00 0.00 C +ATOM 335 C SER A 20 -14.786 5.105 -3.450 1.00 0.00 C +ATOM 336 O SER A 20 -13.691 5.627 -3.650 1.00 0.00 O +ATOM 337 CB SER A 20 -16.702 4.665 -5.031 1.00 0.00 C +ATOM 338 OG SER A 20 -17.752 4.522 -4.065 1.00 0.00 O +ATOM 339 H SER A 20 -16.633 2.516 -3.978 1.00 0.00 H +ATOM 340 HA SER A 20 -14.718 3.966 -5.286 1.00 0.00 H +ATOM 341 HB2 SER A 20 -16.585 5.713 -5.267 1.00 0.00 H +ATOM 342 HB3 SER A 20 -16.969 4.111 -5.918 1.00 0.00 H +ATOM 343 HG SER A 20 -18.508 5.026 -4.390 1.00 0.00 H +ATOM 344 N THR A 21 -15.478 5.299 -2.365 1.00 0.00 N +ATOM 345 CA THR A 21 -15.070 6.202 -1.313 1.00 0.00 C +ATOM 346 C THR A 21 -13.748 5.729 -0.687 1.00 0.00 C +ATOM 347 O THR A 21 -12.878 6.537 -0.331 1.00 0.00 O +ATOM 348 CB THR A 21 -16.155 6.229 -0.228 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.452 6.157 -0.862 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.068 7.517 0.584 1.00 0.00 C +ATOM 351 H THR A 21 -16.340 4.841 -2.296 1.00 0.00 H +ATOM 352 HA THR A 21 -14.958 7.196 -1.718 1.00 0.00 H +ATOM 353 HB THR A 21 -16.020 5.381 0.427 1.00 0.00 H +ATOM 354 HG1 THR A 21 -17.870 5.351 -0.536 1.00 0.00 H +ATOM 355 HG21 THR A 21 -16.195 8.364 -0.073 1.00 0.00 H +ATOM 356 HG22 THR A 21 -15.106 7.578 1.069 1.00 0.00 H +ATOM 357 HG23 THR A 21 -16.848 7.524 1.330 1.00 0.00 H +ATOM 358 N VAL A 22 -13.585 4.419 -0.616 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.421 3.833 -0.010 1.00 0.00 C +ATOM 360 C VAL A 22 -11.211 4.038 -0.914 1.00 0.00 C +ATOM 361 O VAL A 22 -10.178 4.525 -0.465 1.00 0.00 O +ATOM 362 CB VAL A 22 -12.629 2.320 0.251 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -11.427 1.722 0.954 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -13.897 2.075 1.059 1.00 0.00 C +ATOM 365 H VAL A 22 -14.259 3.835 -1.017 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.247 4.329 0.934 1.00 0.00 H +ATOM 367 HB VAL A 22 -12.736 1.829 -0.706 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -11.586 0.665 1.106 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -11.296 2.202 1.912 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -10.542 1.872 0.353 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.020 1.014 1.223 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -14.751 2.458 0.519 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -13.819 2.580 2.011 1.00 0.00 H +ATOM 374 N ARG A 23 -11.371 3.731 -2.202 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.287 3.905 -3.149 1.00 0.00 C +ATOM 376 C ARG A 23 -9.888 5.374 -3.280 1.00 0.00 C +ATOM 377 O ARG A 23 -8.705 5.684 -3.333 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.590 3.310 -4.537 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.783 3.923 -5.260 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.583 3.875 -6.756 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.674 4.508 -7.504 1.00 0.00 N +ATOM 382 CZ ARG A 23 -12.865 4.394 -8.826 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.062 3.631 -9.564 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.871 5.032 -9.400 1.00 0.00 N +ATOM 385 H ARG A 23 -12.224 3.348 -2.511 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.439 3.382 -2.731 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.719 3.426 -5.164 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.783 2.253 -4.406 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.640 3.310 -5.017 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.985 4.930 -4.926 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.657 4.374 -6.998 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -11.513 2.840 -7.045 1.00 0.00 H +ATOM 393 HE ARG A 23 -13.288 5.070 -6.977 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -11.300 3.118 -9.161 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -12.168 3.548 -10.559 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -14.497 5.606 -8.862 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -14.059 4.973 -10.382 1.00 0.00 H +ATOM 398 N GLU A 24 -10.877 6.273 -3.299 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.601 7.694 -3.408 1.00 0.00 C +ATOM 400 C GLU A 24 -9.783 8.197 -2.240 1.00 0.00 C +ATOM 401 O GLU A 24 -8.809 8.920 -2.434 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.871 8.520 -3.601 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.481 8.364 -4.982 1.00 0.00 C +ATOM 404 CD GLU A 24 -13.670 9.261 -5.210 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -13.484 10.487 -5.386 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -14.807 8.756 -5.254 1.00 0.00 O +ATOM 407 H GLU A 24 -11.812 5.970 -3.256 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.985 7.807 -4.288 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.597 8.190 -2.872 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.647 9.564 -3.437 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -11.730 8.600 -5.722 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.792 7.338 -5.107 1.00 0.00 H +ATOM 413 N GLN A 25 -10.133 7.774 -1.037 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.376 8.182 0.131 1.00 0.00 C +ATOM 415 C GLN A 25 -8.010 7.548 0.154 1.00 0.00 C +ATOM 416 O GLN A 25 -7.041 8.233 0.396 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.129 7.982 1.453 1.00 0.00 C +ATOM 418 CG GLN A 25 -10.823 9.252 1.978 1.00 0.00 C +ATOM 419 CD GLN A 25 -11.781 9.939 0.999 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -11.918 11.163 1.019 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -12.501 9.198 0.202 1.00 0.00 N +ATOM 422 H GLN A 25 -10.900 7.167 -0.947 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.206 9.241 -0.006 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.873 7.210 1.329 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.401 7.677 2.197 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.392 8.988 2.857 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -10.057 9.960 2.262 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -12.429 8.217 0.245 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -13.091 9.656 -0.434 1.00 0.00 H +ATOM 430 N LEU A 26 -7.923 6.255 -0.163 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.629 5.567 -0.215 1.00 0.00 C +ATOM 432 C LEU A 26 -5.706 6.228 -1.213 1.00 0.00 C +ATOM 433 O LEU A 26 -4.527 6.403 -0.943 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.781 4.090 -0.551 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.444 3.219 0.509 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.591 1.808 0.002 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.648 3.232 1.809 1.00 0.00 C +ATOM 438 H LEU A 26 -8.743 5.747 -0.358 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.180 5.662 0.763 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.372 4.025 -1.453 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.798 3.692 -0.757 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.432 3.603 0.708 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -8.076 1.204 0.753 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -6.615 1.399 -0.208 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.188 1.807 -0.899 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -5.641 2.891 1.619 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -7.120 2.570 2.519 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -6.623 4.231 2.218 1.00 0.00 H +ATOM 449 N LYS A 27 -6.263 6.618 -2.349 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.519 7.321 -3.374 1.00 0.00 C +ATOM 451 C LYS A 27 -4.959 8.626 -2.813 1.00 0.00 C +ATOM 452 O LYS A 27 -3.794 8.925 -2.998 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.441 7.649 -4.534 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.777 8.428 -5.656 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.796 8.955 -6.642 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.725 9.983 -5.992 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.707 10.516 -6.951 1.00 0.00 N +ATOM 458 H LYS A 27 -7.208 6.397 -2.509 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.718 6.692 -3.729 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.837 6.730 -4.942 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.256 8.235 -4.141 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.239 9.261 -5.228 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -5.086 7.778 -6.172 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -6.273 9.424 -7.462 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.385 8.129 -7.010 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -8.262 9.522 -5.176 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -7.119 10.792 -5.609 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -8.218 11.028 -7.710 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -9.384 11.157 -6.490 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -9.256 9.745 -7.383 1.00 0.00 H +ATOM 471 N LYS A 28 -5.792 9.360 -2.077 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.383 10.629 -1.468 1.00 0.00 C +ATOM 473 C LYS A 28 -4.281 10.382 -0.469 1.00 0.00 C +ATOM 474 O LYS A 28 -3.326 11.155 -0.375 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.554 11.307 -0.754 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.723 11.662 -1.641 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.861 12.232 -0.821 1.00 0.00 C +ATOM 478 CE LYS A 28 -10.083 12.500 -1.675 1.00 0.00 C +ATOM 479 NZ LYS A 28 -11.191 13.042 -0.867 1.00 0.00 N +ATOM 480 H LYS A 28 -6.710 9.038 -1.936 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.020 11.279 -2.251 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.915 10.643 0.019 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.193 12.212 -0.290 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.407 12.399 -2.365 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -8.066 10.774 -2.150 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.127 11.529 -0.045 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.538 13.159 -0.371 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -9.827 13.210 -2.446 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.397 11.572 -2.129 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -11.465 12.374 -0.114 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -12.040 13.202 -1.447 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -10.938 13.949 -0.430 1.00 0.00 H +ATOM 493 N LYS A 29 -4.402 9.275 0.246 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.438 8.895 1.252 1.00 0.00 C +ATOM 495 C LYS A 29 -2.103 8.558 0.623 1.00 0.00 C +ATOM 496 O LYS A 29 -1.053 8.826 1.207 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.953 7.744 2.136 1.00 0.00 C +ATOM 498 CG LYS A 29 -5.310 8.017 2.792 1.00 0.00 C +ATOM 499 CD LYS A 29 -5.289 9.248 3.677 1.00 0.00 C +ATOM 500 CE LYS A 29 -4.572 8.980 4.969 1.00 0.00 C +ATOM 501 NZ LYS A 29 -4.298 10.220 5.722 1.00 0.00 N +ATOM 502 H LYS A 29 -5.191 8.710 0.093 1.00 0.00 H +ATOM 503 HA LYS A 29 -3.279 9.768 1.859 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -4.045 6.860 1.523 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -3.229 7.556 2.913 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -6.047 8.165 2.017 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -5.586 7.157 3.386 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -4.804 10.064 3.165 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -6.311 9.523 3.898 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -5.245 8.355 5.541 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -3.659 8.443 4.770 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -3.631 10.823 5.190 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -3.870 10.001 6.644 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -5.177 10.754 5.874 1.00 0.00 H +ATOM 515 N LEU A 30 -2.150 7.973 -0.548 1.00 0.00 N +ATOM 516 CA LEU A 30 -0.963 7.694 -1.314 1.00 0.00 C +ATOM 517 C LEU A 30 -0.358 9.004 -1.803 1.00 0.00 C +ATOM 518 O LEU A 30 0.833 9.229 -1.679 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.292 6.781 -2.497 1.00 0.00 C +ATOM 520 CG LEU A 30 -1.908 5.425 -2.134 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.255 4.637 -3.381 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -0.978 4.631 -1.229 1.00 0.00 C +ATOM 523 H LEU A 30 -3.021 7.692 -0.909 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.262 7.194 -0.663 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -1.980 7.305 -3.145 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.380 6.598 -3.046 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.830 5.601 -1.600 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -2.983 5.184 -3.961 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -2.659 3.676 -3.103 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -1.362 4.498 -3.970 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -0.028 4.483 -1.720 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -1.426 3.673 -1.010 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.832 5.178 -0.309 1.00 0.00 H +ATOM 534 N VAL A 31 -1.218 9.890 -2.283 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.815 11.188 -2.818 1.00 0.00 C +ATOM 536 C VAL A 31 -0.097 12.049 -1.756 1.00 0.00 C +ATOM 537 O VAL A 31 0.951 12.659 -2.035 1.00 0.00 O +ATOM 538 CB VAL A 31 -2.057 11.944 -3.404 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -1.742 13.383 -3.754 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -2.565 11.223 -4.633 1.00 0.00 C +ATOM 541 H VAL A 31 -2.172 9.648 -2.288 1.00 0.00 H +ATOM 542 HA VAL A 31 -0.121 10.998 -3.625 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.856 11.937 -2.674 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -0.957 13.411 -4.495 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -1.423 13.889 -2.856 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -2.633 13.856 -4.140 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -1.790 11.177 -5.383 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -3.428 11.743 -5.022 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -2.847 10.221 -4.339 1.00 0.00 H +ATOM 550 N GLU A 32 -0.639 12.093 -0.558 1.00 0.00 N +ATOM 551 CA GLU A 32 -0.001 12.818 0.529 1.00 0.00 C +ATOM 552 C GLU A 32 1.303 12.118 0.977 1.00 0.00 C +ATOM 553 O GLU A 32 2.370 12.759 1.102 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.974 13.021 1.714 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.594 11.737 2.223 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.463 11.897 3.438 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -3.567 12.433 3.336 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -2.073 11.425 4.527 1.00 0.00 O +ATOM 559 H GLU A 32 -1.503 11.645 -0.408 1.00 0.00 H +ATOM 560 HA GLU A 32 0.273 13.784 0.132 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.454 13.496 2.533 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.773 13.668 1.384 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -2.200 11.337 1.425 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.800 11.039 2.445 1.00 0.00 H +ATOM 565 N VAL A 33 1.231 10.797 1.118 1.00 0.00 N +ATOM 566 CA VAL A 33 2.317 10.007 1.666 1.00 0.00 C +ATOM 567 C VAL A 33 3.576 10.078 0.808 1.00 0.00 C +ATOM 568 O VAL A 33 4.650 9.995 1.323 1.00 0.00 O +ATOM 569 CB VAL A 33 1.924 8.532 1.994 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.048 7.595 0.796 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.702 8.023 3.193 1.00 0.00 C +ATOM 572 H VAL A 33 0.413 10.328 0.841 1.00 0.00 H +ATOM 573 HA VAL A 33 2.567 10.500 2.595 1.00 0.00 H +ATOM 574 HB VAL A 33 0.879 8.545 2.265 1.00 0.00 H +ATOM 575 HG11 VAL A 33 1.445 7.978 -0.014 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.708 6.607 1.066 1.00 0.00 H +ATOM 577 HG13 VAL A 33 3.081 7.549 0.483 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.457 6.988 3.379 1.00 0.00 H +ATOM 579 HG22 VAL A 33 2.446 8.615 4.061 1.00 0.00 H +ATOM 580 HG23 VAL A 33 3.756 8.121 2.992 1.00 0.00 H +ATOM 581 N LEU A 34 3.412 10.268 -0.500 1.00 0.00 N +ATOM 582 CA LEU A 34 4.526 10.275 -1.459 1.00 0.00 C +ATOM 583 C LEU A 34 5.651 11.247 -1.099 1.00 0.00 C +ATOM 584 O LEU A 34 6.793 10.992 -1.465 1.00 0.00 O +ATOM 585 CB LEU A 34 4.028 10.587 -2.879 1.00 0.00 C +ATOM 586 CG LEU A 34 3.139 9.538 -3.547 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.671 10.025 -4.905 1.00 0.00 C +ATOM 588 CD2 LEU A 34 3.876 8.213 -3.688 1.00 0.00 C +ATOM 589 H LEU A 34 2.501 10.385 -0.841 1.00 0.00 H +ATOM 590 HA LEU A 34 4.948 9.282 -1.476 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.472 11.512 -2.834 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.888 10.751 -3.513 1.00 0.00 H +ATOM 593 HG LEU A 34 2.265 9.376 -2.934 1.00 0.00 H +ATOM 594 HD11 LEU A 34 2.044 9.273 -5.362 1.00 0.00 H +ATOM 595 HD12 LEU A 34 3.527 10.212 -5.536 1.00 0.00 H +ATOM 596 HD13 LEU A 34 2.105 10.937 -4.786 1.00 0.00 H +ATOM 597 HD21 LEU A 34 4.785 8.366 -4.250 1.00 0.00 H +ATOM 598 HD22 LEU A 34 3.249 7.519 -4.228 1.00 0.00 H +ATOM 599 HD23 LEU A 34 4.110 7.810 -2.714 1.00 0.00 H +ATOM 600 N GLU A 35 5.356 12.329 -0.362 1.00 0.00 N +ATOM 601 CA GLU A 35 6.428 13.271 -0.005 1.00 0.00 C +ATOM 602 C GLU A 35 7.262 12.749 1.164 1.00 0.00 C +ATOM 603 O GLU A 35 8.443 13.107 1.327 1.00 0.00 O +ATOM 604 CB GLU A 35 5.892 14.670 0.300 1.00 0.00 C +ATOM 605 CG GLU A 35 4.910 14.735 1.448 1.00 0.00 C +ATOM 606 CD GLU A 35 4.365 16.112 1.629 1.00 0.00 C +ATOM 607 OE1 GLU A 35 3.343 16.442 0.987 1.00 0.00 O +ATOM 608 OE2 GLU A 35 4.942 16.898 2.420 1.00 0.00 O +ATOM 609 H GLU A 35 4.432 12.481 -0.060 1.00 0.00 H +ATOM 610 HA GLU A 35 7.083 13.326 -0.864 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.728 15.307 0.551 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.411 15.071 -0.578 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.090 14.060 1.248 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.408 14.433 2.357 1.00 0.00 H +ATOM 615 N SER A 36 6.661 11.897 1.964 1.00 0.00 N +ATOM 616 CA SER A 36 7.308 11.317 3.116 1.00 0.00 C +ATOM 617 C SER A 36 6.772 9.908 3.382 1.00 0.00 C +ATOM 618 O SER A 36 6.034 9.696 4.327 1.00 0.00 O +ATOM 619 CB SER A 36 7.122 12.200 4.359 1.00 0.00 C +ATOM 620 OG SER A 36 7.666 13.508 4.169 1.00 0.00 O +ATOM 621 H SER A 36 5.749 11.597 1.753 1.00 0.00 H +ATOM 622 HA SER A 36 8.360 11.230 2.903 1.00 0.00 H +ATOM 623 HB2 SER A 36 6.068 12.292 4.574 1.00 0.00 H +ATOM 624 HB3 SER A 36 7.622 11.732 5.195 1.00 0.00 H +ATOM 625 HG SER A 36 8.499 13.541 4.651 1.00 0.00 H +ATOM 626 N PRO A 37 7.080 8.932 2.508 1.00 0.00 N +ATOM 627 CA PRO A 37 6.605 7.568 2.691 1.00 0.00 C +ATOM 628 C PRO A 37 7.493 6.784 3.644 1.00 0.00 C +ATOM 629 O PRO A 37 7.125 5.736 4.122 1.00 0.00 O +ATOM 630 CB PRO A 37 6.663 6.992 1.280 1.00 0.00 C +ATOM 631 CG PRO A 37 7.806 7.698 0.641 1.00 0.00 C +ATOM 632 CD PRO A 37 7.827 9.086 1.231 1.00 0.00 C +ATOM 633 HA PRO A 37 5.593 7.540 3.061 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.816 5.925 1.327 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.737 7.202 0.765 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.726 7.179 0.868 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.659 7.748 -0.427 1.00 0.00 H +ATOM 638 HD2 PRO A 37 8.837 9.421 1.409 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.301 9.768 0.577 1.00 0.00 H +ATOM 640 N ARG A 38 8.642 7.348 3.963 1.00 0.00 N +ATOM 641 CA ARG A 38 9.624 6.706 4.826 1.00 0.00 C +ATOM 642 C ARG A 38 9.350 6.921 6.333 1.00 0.00 C +ATOM 643 O ARG A 38 10.281 7.041 7.145 1.00 0.00 O +ATOM 644 CB ARG A 38 11.071 7.089 4.389 1.00 0.00 C +ATOM 645 CG ARG A 38 11.366 8.587 4.147 1.00 0.00 C +ATOM 646 CD ARG A 38 11.441 9.417 5.424 1.00 0.00 C +ATOM 647 NE ARG A 38 11.849 10.805 5.147 1.00 0.00 N +ATOM 648 CZ ARG A 38 12.569 11.581 5.987 1.00 0.00 C +ATOM 649 NH1 ARG A 38 12.874 11.142 7.214 1.00 0.00 N +ATOM 650 NH2 ARG A 38 12.976 12.791 5.598 1.00 0.00 N +ATOM 651 H ARG A 38 8.813 8.233 3.579 1.00 0.00 H +ATOM 652 HA ARG A 38 9.496 5.647 4.652 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.753 6.750 5.154 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.294 6.551 3.479 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.305 8.675 3.626 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.582 8.986 3.517 1.00 0.00 H +ATOM 657 HD2 ARG A 38 10.470 9.421 5.897 1.00 0.00 H +ATOM 658 HD3 ARG A 38 12.164 8.966 6.086 1.00 0.00 H +ATOM 659 HE ARG A 38 11.590 11.143 4.258 1.00 0.00 H +ATOM 660 HH11 ARG A 38 12.586 10.246 7.566 1.00 0.00 H +ATOM 661 HH12 ARG A 38 13.437 11.689 7.842 1.00 0.00 H +ATOM 662 HH21 ARG A 38 12.775 13.166 4.688 1.00 0.00 H +ATOM 663 HH22 ARG A 38 13.514 13.387 6.205 1.00 0.00 H +ATOM 664 N ILE A 39 8.082 6.874 6.695 1.00 0.00 N +ATOM 665 CA ILE A 39 7.634 7.047 8.074 1.00 0.00 C +ATOM 666 C ILE A 39 7.767 5.704 8.806 1.00 0.00 C +ATOM 667 O ILE A 39 6.979 4.778 8.571 1.00 0.00 O +ATOM 668 CB ILE A 39 6.147 7.530 8.111 1.00 0.00 C +ATOM 669 CG1 ILE A 39 6.012 8.874 7.379 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.632 7.647 9.545 1.00 0.00 C +ATOM 671 CD1 ILE A 39 4.593 9.403 7.288 1.00 0.00 C +ATOM 672 H ILE A 39 7.420 6.677 5.997 1.00 0.00 H +ATOM 673 HA ILE A 39 8.265 7.783 8.551 1.00 0.00 H +ATOM 674 HB ILE A 39 5.544 6.797 7.597 1.00 0.00 H +ATOM 675 HG12 ILE A 39 6.601 9.617 7.896 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.391 8.763 6.374 1.00 0.00 H +ATOM 677 HG21 ILE A 39 6.215 8.386 10.075 1.00 0.00 H +ATOM 678 HG22 ILE A 39 5.729 6.691 10.040 1.00 0.00 H +ATOM 679 HG23 ILE A 39 4.594 7.946 9.533 1.00 0.00 H +ATOM 680 HD11 ILE A 39 4.606 10.336 6.744 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.203 9.565 8.283 1.00 0.00 H +ATOM 682 HD13 ILE A 39 3.975 8.690 6.764 1.00 0.00 H +ATOM 683 N GLU A 40 8.749 5.609 9.698 1.00 0.00 N +ATOM 684 CA GLU A 40 9.085 4.350 10.369 1.00 0.00 C +ATOM 685 C GLU A 40 7.949 3.800 11.228 1.00 0.00 C +ATOM 686 O GLU A 40 7.866 2.591 11.445 1.00 0.00 O +ATOM 687 CB GLU A 40 10.380 4.460 11.186 1.00 0.00 C +ATOM 688 CG GLU A 40 10.357 5.526 12.261 1.00 0.00 C +ATOM 689 CD GLU A 40 11.590 5.513 13.108 1.00 0.00 C +ATOM 690 OE1 GLU A 40 12.632 6.029 12.668 1.00 0.00 O +ATOM 691 OE2 GLU A 40 11.543 4.993 14.241 1.00 0.00 O +ATOM 692 H GLU A 40 9.249 6.420 9.932 1.00 0.00 H +ATOM 693 HA GLU A 40 9.253 3.634 9.578 1.00 0.00 H +ATOM 694 HB2 GLU A 40 10.570 3.511 11.664 1.00 0.00 H +ATOM 695 HB3 GLU A 40 11.196 4.677 10.512 1.00 0.00 H +ATOM 696 HG2 GLU A 40 10.283 6.492 11.786 1.00 0.00 H +ATOM 697 HG3 GLU A 40 9.496 5.365 12.894 1.00 0.00 H +ATOM 698 N ALA A 41 7.062 4.666 11.671 1.00 0.00 N +ATOM 699 CA ALA A 41 5.930 4.264 12.504 1.00 0.00 C +ATOM 700 C ALA A 41 4.967 3.344 11.745 1.00 0.00 C +ATOM 701 O ALA A 41 4.249 2.538 12.350 1.00 0.00 O +ATOM 702 CB ALA A 41 5.190 5.491 13.016 1.00 0.00 C +ATOM 703 H ALA A 41 7.191 5.618 11.458 1.00 0.00 H +ATOM 704 HA ALA A 41 6.323 3.727 13.355 1.00 0.00 H +ATOM 705 HB1 ALA A 41 5.879 6.135 13.541 1.00 0.00 H +ATOM 706 HB2 ALA A 41 4.401 5.185 13.687 1.00 0.00 H +ATOM 707 HB3 ALA A 41 4.763 6.028 12.181 1.00 0.00 H +ATOM 708 N ASN A 42 4.987 3.432 10.425 1.00 0.00 N +ATOM 709 CA ASN A 42 4.091 2.633 9.599 1.00 0.00 C +ATOM 710 C ASN A 42 4.779 1.387 9.075 1.00 0.00 C +ATOM 711 O ASN A 42 4.161 0.592 8.369 1.00 0.00 O +ATOM 712 CB ASN A 42 3.524 3.450 8.420 1.00 0.00 C +ATOM 713 CG ASN A 42 2.621 4.596 8.847 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.955 4.539 9.880 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.586 5.645 8.053 1.00 0.00 N +ATOM 716 H ASN A 42 5.621 4.045 9.994 1.00 0.00 H +ATOM 717 HA ASN A 42 3.267 2.319 10.221 1.00 0.00 H +ATOM 718 HB2 ASN A 42 4.345 3.866 7.857 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.958 2.789 7.779 1.00 0.00 H +ATOM 720 HD21 ASN A 42 3.133 5.630 7.240 1.00 0.00 H +ATOM 721 HD22 ASN A 42 2.009 6.392 8.310 1.00 0.00 H +ATOM 722 N LYS A 43 6.053 1.211 9.422 1.00 0.00 N +ATOM 723 CA LYS A 43 6.817 0.052 8.961 1.00 0.00 C +ATOM 724 C LYS A 43 6.402 -1.201 9.682 1.00 0.00 C +ATOM 725 O LYS A 43 6.170 -1.194 10.894 1.00 0.00 O +ATOM 726 CB LYS A 43 8.340 0.251 9.101 1.00 0.00 C +ATOM 727 CG LYS A 43 8.897 1.302 8.170 1.00 0.00 C +ATOM 728 CD LYS A 43 10.405 1.582 8.327 1.00 0.00 C +ATOM 729 CE LYS A 43 11.316 0.463 7.797 1.00 0.00 C +ATOM 730 NZ LYS A 43 11.393 -0.729 8.669 1.00 0.00 N +ATOM 731 H LYS A 43 6.474 1.857 10.027 1.00 0.00 H +ATOM 732 HA LYS A 43 6.587 -0.078 7.914 1.00 0.00 H +ATOM 733 HB2 LYS A 43 8.566 0.538 10.117 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.818 -0.692 8.882 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.742 0.953 7.159 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.344 2.218 8.312 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.644 2.489 7.792 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.611 1.736 9.376 1.00 0.00 H +ATOM 739 HE2 LYS A 43 10.952 0.150 6.830 1.00 0.00 H +ATOM 740 HE3 LYS A 43 12.308 0.871 7.677 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 11.984 -1.455 8.214 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 10.472 -1.153 8.887 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 11.853 -0.482 9.571 1.00 0.00 H +ATOM 744 N LEU A 44 6.302 -2.261 8.939 1.00 0.00 N +ATOM 745 CA LEU A 44 5.954 -3.548 9.484 1.00 0.00 C +ATOM 746 C LEU A 44 7.210 -4.196 10.062 1.00 0.00 C +ATOM 747 O LEU A 44 8.286 -4.078 9.487 1.00 0.00 O +ATOM 748 CB LEU A 44 5.340 -4.415 8.397 1.00 0.00 C +ATOM 749 CG LEU A 44 4.138 -3.808 7.673 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.609 -4.753 6.620 1.00 0.00 C +ATOM 751 CD2 LEU A 44 3.049 -3.433 8.654 1.00 0.00 C +ATOM 752 H LEU A 44 6.462 -2.158 7.975 1.00 0.00 H +ATOM 753 HA LEU A 44 5.231 -3.391 10.270 1.00 0.00 H +ATOM 754 HB2 LEU A 44 6.106 -4.602 7.663 1.00 0.00 H +ATOM 755 HB3 LEU A 44 5.033 -5.354 8.833 1.00 0.00 H +ATOM 756 HG LEU A 44 4.460 -2.911 7.166 1.00 0.00 H +ATOM 757 HD11 LEU A 44 3.337 -5.691 7.084 1.00 0.00 H +ATOM 758 HD12 LEU A 44 4.363 -4.922 5.866 1.00 0.00 H +ATOM 759 HD13 LEU A 44 2.734 -4.318 6.163 1.00 0.00 H +ATOM 760 HD21 LEU A 44 2.739 -4.310 9.203 1.00 0.00 H +ATOM 761 HD22 LEU A 44 2.208 -3.035 8.107 1.00 0.00 H +ATOM 762 HD23 LEU A 44 3.416 -2.684 9.338 1.00 0.00 H +ATOM 763 N ARG A 45 7.069 -4.873 11.174 1.00 0.00 N +ATOM 764 CA ARG A 45 8.191 -5.430 11.919 1.00 0.00 C +ATOM 765 C ARG A 45 8.893 -6.583 11.199 1.00 0.00 C +ATOM 766 O ARG A 45 10.127 -6.650 11.175 1.00 0.00 O +ATOM 767 CB ARG A 45 7.721 -5.877 13.294 1.00 0.00 C +ATOM 768 CG ARG A 45 7.219 -4.745 14.167 1.00 0.00 C +ATOM 769 CD ARG A 45 6.724 -5.252 15.507 1.00 0.00 C +ATOM 770 NE ARG A 45 6.256 -4.154 16.354 1.00 0.00 N +ATOM 771 CZ ARG A 45 5.462 -4.278 17.419 1.00 0.00 C +ATOM 772 NH1 ARG A 45 5.022 -5.479 17.804 1.00 0.00 N +ATOM 773 NH2 ARG A 45 5.115 -3.193 18.100 1.00 0.00 N +ATOM 774 H ARG A 45 6.165 -5.020 11.532 1.00 0.00 H +ATOM 775 HA ARG A 45 8.905 -4.634 12.063 1.00 0.00 H +ATOM 776 HB2 ARG A 45 6.922 -6.595 13.172 1.00 0.00 H +ATOM 777 HB3 ARG A 45 8.547 -6.356 13.793 1.00 0.00 H +ATOM 778 HG2 ARG A 45 8.025 -4.045 14.334 1.00 0.00 H +ATOM 779 HG3 ARG A 45 6.408 -4.245 13.659 1.00 0.00 H +ATOM 780 HD2 ARG A 45 5.909 -5.943 15.344 1.00 0.00 H +ATOM 781 HD3 ARG A 45 7.534 -5.760 16.009 1.00 0.00 H +ATOM 782 HE ARG A 45 6.574 -3.259 16.091 1.00 0.00 H +ATOM 783 HH11 ARG A 45 5.260 -6.331 17.330 1.00 0.00 H +ATOM 784 HH12 ARG A 45 4.412 -5.592 18.593 1.00 0.00 H +ATOM 785 HH21 ARG A 45 5.453 -2.294 17.804 1.00 0.00 H +ATOM 786 HH22 ARG A 45 4.530 -3.220 18.914 1.00 0.00 H +ATOM 787 N GLY A 46 8.124 -7.471 10.610 1.00 0.00 N +ATOM 788 CA GLY A 46 8.704 -8.632 9.949 1.00 0.00 C +ATOM 789 C GLY A 46 8.858 -8.431 8.466 1.00 0.00 C +ATOM 790 O GLY A 46 8.993 -9.395 7.698 1.00 0.00 O +ATOM 791 H GLY A 46 7.149 -7.357 10.614 1.00 0.00 H +ATOM 792 HA2 GLY A 46 9.680 -8.822 10.369 1.00 0.00 H +ATOM 793 HA3 GLY A 46 8.076 -9.493 10.119 1.00 0.00 H +ATOM 794 N MET A 47 8.826 -7.197 8.055 1.00 0.00 N +ATOM 795 CA MET A 47 8.947 -6.845 6.667 1.00 0.00 C +ATOM 796 C MET A 47 10.002 -5.755 6.597 1.00 0.00 C +ATOM 797 O MET A 47 10.129 -4.975 7.539 1.00 0.00 O +ATOM 798 CB MET A 47 7.604 -6.331 6.129 1.00 0.00 C +ATOM 799 CG MET A 47 6.413 -7.275 6.365 1.00 0.00 C +ATOM 800 SD MET A 47 6.466 -8.810 5.405 1.00 0.00 S +ATOM 801 CE MET A 47 6.042 -8.217 3.773 1.00 0.00 C +ATOM 802 H MET A 47 8.755 -6.472 8.713 1.00 0.00 H +ATOM 803 HA MET A 47 9.270 -7.714 6.112 1.00 0.00 H +ATOM 804 HB2 MET A 47 7.407 -5.374 6.585 1.00 0.00 H +ATOM 805 HB3 MET A 47 7.706 -6.174 5.065 1.00 0.00 H +ATOM 806 HG2 MET A 47 6.395 -7.538 7.412 1.00 0.00 H +ATOM 807 HG3 MET A 47 5.501 -6.746 6.126 1.00 0.00 H +ATOM 808 HE1 MET A 47 5.048 -7.796 3.817 1.00 0.00 H +ATOM 809 HE2 MET A 47 6.049 -9.046 3.079 1.00 0.00 H +ATOM 810 HE3 MET A 47 6.746 -7.460 3.459 1.00 0.00 H +ATOM 811 N PRO A 48 10.802 -5.706 5.541 1.00 0.00 N +ATOM 812 CA PRO A 48 11.891 -4.731 5.438 1.00 0.00 C +ATOM 813 C PRO A 48 11.431 -3.259 5.292 1.00 0.00 C +ATOM 814 O PRO A 48 11.451 -2.479 6.259 1.00 0.00 O +ATOM 815 CB PRO A 48 12.679 -5.191 4.202 1.00 0.00 C +ATOM 816 CG PRO A 48 11.723 -6.016 3.402 1.00 0.00 C +ATOM 817 CD PRO A 48 10.759 -6.625 4.380 1.00 0.00 C +ATOM 818 HA PRO A 48 12.531 -4.792 6.304 1.00 0.00 H +ATOM 819 HB2 PRO A 48 13.011 -4.325 3.647 1.00 0.00 H +ATOM 820 HB3 PRO A 48 13.534 -5.771 4.514 1.00 0.00 H +ATOM 821 HG2 PRO A 48 11.195 -5.389 2.698 1.00 0.00 H +ATOM 822 HG3 PRO A 48 12.261 -6.790 2.874 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.765 -6.663 3.958 1.00 0.00 H +ATOM 824 HD3 PRO A 48 11.088 -7.613 4.664 1.00 0.00 H +ATOM 825 N ASP A 49 10.951 -2.922 4.116 1.00 0.00 N +ATOM 826 CA ASP A 49 10.613 -1.548 3.761 1.00 0.00 C +ATOM 827 C ASP A 49 9.137 -1.474 3.458 1.00 0.00 C +ATOM 828 O ASP A 49 8.701 -0.759 2.562 1.00 0.00 O +ATOM 829 CB ASP A 49 11.393 -1.167 2.504 1.00 0.00 C +ATOM 830 CG ASP A 49 11.909 0.253 2.537 1.00 0.00 C +ATOM 831 OD1 ASP A 49 11.134 1.200 2.462 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.154 0.430 2.660 1.00 0.00 O +ATOM 833 H ASP A 49 10.814 -3.626 3.454 1.00 0.00 H +ATOM 834 HA ASP A 49 10.867 -0.863 4.557 1.00 0.00 H +ATOM 835 HB2 ASP A 49 12.231 -1.838 2.390 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.743 -1.273 1.648 1.00 0.00 H +ATOM 837 N CYS A 50 8.361 -2.223 4.196 1.00 0.00 N +ATOM 838 CA CYS A 50 6.942 -2.238 3.968 1.00 0.00 C +ATOM 839 C CYS A 50 6.257 -1.353 4.987 1.00 0.00 C +ATOM 840 O CYS A 50 6.636 -1.345 6.170 1.00 0.00 O +ATOM 841 CB CYS A 50 6.425 -3.663 4.062 1.00 0.00 C +ATOM 842 SG CYS A 50 7.326 -4.827 3.009 1.00 0.00 S +ATOM 843 H CYS A 50 8.746 -2.752 4.923 1.00 0.00 H +ATOM 844 HA CYS A 50 6.752 -1.858 2.975 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.509 -4.003 5.083 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.386 -3.684 3.764 1.00 0.00 H +ATOM 847 HG CYS A 50 7.451 -4.256 1.819 1.00 0.00 H +ATOM 848 N TYR A 51 5.254 -0.647 4.539 1.00 0.00 N +ATOM 849 CA TYR A 51 4.514 0.295 5.342 1.00 0.00 C +ATOM 850 C TYR A 51 3.049 0.044 5.119 1.00 0.00 C +ATOM 851 O TYR A 51 2.663 -0.514 4.078 1.00 0.00 O +ATOM 852 CB TYR A 51 4.803 1.745 4.903 1.00 0.00 C +ATOM 853 CG TYR A 51 6.250 2.182 4.926 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.144 1.752 3.959 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.714 3.038 5.900 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.456 2.158 3.972 1.00 0.00 C +ATOM 857 CE2 TYR A 51 8.029 3.454 5.910 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.891 3.007 4.944 1.00 0.00 C +ATOM 859 OH TYR A 51 10.198 3.419 4.948 1.00 0.00 O +ATOM 860 H TYR A 51 4.965 -0.756 3.605 1.00 0.00 H +ATOM 861 HA TYR A 51 4.771 0.177 6.383 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.442 1.886 3.894 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.250 2.402 5.559 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.798 1.078 3.189 1.00 0.00 H +ATOM 865 HD2 TYR A 51 6.034 3.384 6.662 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.137 1.807 3.211 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.376 4.125 6.683 1.00 0.00 H +ATOM 868 HH TYR A 51 10.394 3.557 4.010 1.00 0.00 H +ATOM 869 N LYS A 52 2.242 0.441 6.054 1.00 0.00 N +ATOM 870 CA LYS A 52 0.819 0.308 5.914 1.00 0.00 C +ATOM 871 C LYS A 52 0.117 1.624 6.206 1.00 0.00 C +ATOM 872 O LYS A 52 0.528 2.386 7.078 1.00 0.00 O +ATOM 873 CB LYS A 52 0.270 -0.797 6.827 1.00 0.00 C +ATOM 874 CG LYS A 52 0.553 -0.585 8.302 1.00 0.00 C +ATOM 875 CD LYS A 52 -0.108 -1.644 9.150 1.00 0.00 C +ATOM 876 CE LYS A 52 0.258 -1.471 10.605 1.00 0.00 C +ATOM 877 NZ LYS A 52 -0.384 -2.484 11.457 1.00 0.00 N +ATOM 878 H LYS A 52 2.607 0.836 6.877 1.00 0.00 H +ATOM 879 HA LYS A 52 0.616 0.037 4.889 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.801 -0.858 6.695 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.714 -1.736 6.529 1.00 0.00 H +ATOM 882 HG2 LYS A 52 1.620 -0.623 8.463 1.00 0.00 H +ATOM 883 HG3 LYS A 52 0.179 0.386 8.593 1.00 0.00 H +ATOM 884 HD2 LYS A 52 -1.179 -1.550 9.047 1.00 0.00 H +ATOM 885 HD3 LYS A 52 0.206 -2.623 8.819 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.330 -1.563 10.703 1.00 0.00 H +ATOM 887 HE3 LYS A 52 -0.050 -0.485 10.919 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 -0.076 -2.378 12.445 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 -0.140 -3.449 11.149 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 -1.419 -2.401 11.441 1.00 0.00 H +ATOM 891 N ILE A 53 -0.912 1.890 5.460 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.753 3.033 5.674 1.00 0.00 C +ATOM 893 C ILE A 53 -3.073 2.520 6.207 1.00 0.00 C +ATOM 894 O ILE A 53 -3.517 1.436 5.822 1.00 0.00 O +ATOM 895 CB ILE A 53 -1.982 3.865 4.360 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.660 4.468 3.868 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -3.029 4.972 4.562 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.795 5.314 2.614 1.00 0.00 C +ATOM 899 H ILE A 53 -1.119 1.271 4.723 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.290 3.657 6.425 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.358 3.191 3.605 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.251 5.097 4.645 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.035 3.668 3.660 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -3.168 5.506 3.635 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -2.686 5.657 5.323 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -3.966 4.532 4.873 1.00 0.00 H +ATOM 907 HD11 ILE A 53 0.165 5.732 2.350 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -1.498 6.115 2.796 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -1.158 4.699 1.804 1.00 0.00 H +ATOM 910 N LYS A 54 -3.668 3.266 7.089 1.00 0.00 N +ATOM 911 CA LYS A 54 -4.907 2.897 7.699 1.00 0.00 C +ATOM 912 C LYS A 54 -5.929 3.960 7.381 1.00 0.00 C +ATOM 913 O LYS A 54 -5.671 5.160 7.568 1.00 0.00 O +ATOM 914 CB LYS A 54 -4.784 2.648 9.242 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.294 3.832 10.094 1.00 0.00 C +ATOM 916 CD LYS A 54 -2.803 4.111 9.921 1.00 0.00 C +ATOM 917 CE LYS A 54 -2.405 5.440 10.534 1.00 0.00 C +ATOM 918 NZ LYS A 54 -2.463 5.440 12.009 1.00 0.00 N +ATOM 919 H LYS A 54 -3.296 4.146 7.292 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.209 1.985 7.215 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.754 2.360 9.619 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.105 1.821 9.390 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -4.846 4.716 9.811 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -4.489 3.601 11.131 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -2.261 3.332 10.433 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -2.519 4.101 8.882 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -1.409 5.684 10.196 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -3.110 6.155 10.137 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -2.164 6.365 12.383 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -1.811 4.718 12.377 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -3.416 5.227 12.368 1.00 0.00 H +ATOM 932 N LEU A 55 -7.039 3.558 6.844 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.058 4.486 6.466 1.00 0.00 C +ATOM 934 C LEU A 55 -9.109 4.509 7.559 1.00 0.00 C +ATOM 935 O LEU A 55 -10.066 3.690 7.555 1.00 0.00 O +ATOM 936 CB LEU A 55 -8.676 4.081 5.107 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.359 5.181 4.250 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -9.915 4.574 2.990 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -10.463 5.905 4.988 1.00 0.00 C +ATOM 940 H LEU A 55 -7.198 2.597 6.695 1.00 0.00 H +ATOM 941 HA LEU A 55 -7.612 5.466 6.378 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -7.891 3.643 4.509 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.408 3.311 5.304 1.00 0.00 H +ATOM 944 HG LEU A 55 -8.606 5.899 3.956 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -10.355 5.343 2.371 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -10.668 3.846 3.254 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -9.115 4.087 2.456 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -10.900 6.655 4.346 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -10.060 6.370 5.877 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -11.217 5.184 5.269 1.00 0.00 H +ATOM 951 N ARG A 56 -8.918 5.396 8.516 1.00 0.00 N +ATOM 952 CA ARG A 56 -9.849 5.529 9.594 1.00 0.00 C +ATOM 953 C ARG A 56 -11.087 6.254 9.116 1.00 0.00 C +ATOM 954 O ARG A 56 -11.119 7.488 9.042 1.00 0.00 O +ATOM 955 CB ARG A 56 -9.237 6.193 10.830 1.00 0.00 C +ATOM 956 CG ARG A 56 -10.228 6.355 11.976 1.00 0.00 C +ATOM 957 CD ARG A 56 -9.571 6.913 13.211 1.00 0.00 C +ATOM 958 NE ARG A 56 -10.553 7.216 14.263 1.00 0.00 N +ATOM 959 CZ ARG A 56 -10.251 7.419 15.554 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -9.052 7.085 16.019 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -11.175 7.893 16.393 1.00 0.00 N +ATOM 962 H ARG A 56 -8.129 5.977 8.482 1.00 0.00 H +ATOM 963 HA ARG A 56 -10.134 4.520 9.842 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -8.407 5.592 11.175 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -8.873 7.172 10.554 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -11.014 7.027 11.666 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -10.655 5.389 12.206 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -8.868 6.184 13.584 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -9.046 7.817 12.948 1.00 0.00 H +ATOM 970 HE ARG A 56 -11.474 7.329 13.931 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -8.351 6.677 15.427 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -8.793 7.217 16.978 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -12.111 8.114 16.103 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -10.985 8.071 17.361 1.00 0.00 H +ATOM 975 N SER A 57 -12.059 5.458 8.745 1.00 0.00 N +ATOM 976 CA SER A 57 -13.329 5.872 8.197 1.00 0.00 C +ATOM 977 C SER A 57 -14.047 4.618 7.722 1.00 0.00 C +ATOM 978 O SER A 57 -15.254 4.464 7.902 1.00 0.00 O +ATOM 979 CB SER A 57 -13.134 6.858 7.013 1.00 0.00 C +ATOM 980 OG SER A 57 -14.352 7.212 6.389 1.00 0.00 O +ATOM 981 H SER A 57 -11.910 4.495 8.871 1.00 0.00 H +ATOM 982 HA SER A 57 -13.904 6.342 8.982 1.00 0.00 H +ATOM 983 HB2 SER A 57 -12.670 7.762 7.379 1.00 0.00 H +ATOM 984 HB3 SER A 57 -12.483 6.404 6.282 1.00 0.00 H +ATOM 985 HG SER A 57 -14.851 7.782 6.988 1.00 0.00 H +ATOM 986 N SER A 58 -13.299 3.712 7.134 1.00 0.00 N +ATOM 987 CA SER A 58 -13.875 2.494 6.633 1.00 0.00 C +ATOM 988 C SER A 58 -13.186 1.236 7.190 1.00 0.00 C +ATOM 989 O SER A 58 -13.735 0.135 7.114 1.00 0.00 O +ATOM 990 CB SER A 58 -13.886 2.540 5.113 1.00 0.00 C +ATOM 991 OG SER A 58 -12.648 3.044 4.626 1.00 0.00 O +ATOM 992 H SER A 58 -12.342 3.869 6.984 1.00 0.00 H +ATOM 993 HA SER A 58 -14.900 2.478 6.974 1.00 0.00 H +ATOM 994 HB2 SER A 58 -14.052 1.549 4.718 1.00 0.00 H +ATOM 995 HB3 SER A 58 -14.680 3.193 4.781 1.00 0.00 H +ATOM 996 HG SER A 58 -12.862 3.883 4.197 1.00 0.00 H +ATOM 997 N GLY A 59 -11.986 1.395 7.744 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.314 0.266 8.364 1.00 0.00 C +ATOM 999 C GLY A 59 -10.399 -0.470 7.420 1.00 0.00 C +ATOM 1000 O GLY A 59 -9.888 -1.555 7.740 1.00 0.00 O +ATOM 1001 H GLY A 59 -11.540 2.269 7.746 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -10.733 0.620 9.201 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -12.064 -0.421 8.730 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.179 0.097 6.276 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.324 -0.516 5.298 1.00 0.00 C +ATOM 1006 C TYR A 60 -7.873 -0.128 5.528 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.576 0.951 6.048 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.759 -0.154 3.877 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.046 -0.820 3.432 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.281 -0.380 3.881 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.017 -1.885 2.551 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.450 -0.983 3.466 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.178 -2.494 2.130 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.390 -2.041 2.590 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.544 -2.653 2.176 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.588 0.966 6.085 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.443 -1.584 5.430 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -9.905 0.915 3.816 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -8.977 -0.440 3.188 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.313 0.452 4.570 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.063 -2.239 2.192 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.402 -0.625 3.828 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.132 -3.324 1.440 1.00 0.00 H +ATOM 1024 HH TYR A 60 -15.206 -1.986 1.956 1.00 0.00 H +ATOM 1025 N ARG A 61 -6.994 -1.022 5.184 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.574 -0.823 5.279 1.00 0.00 C +ATOM 1027 C ARG A 61 -4.954 -1.085 3.924 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.496 -1.855 3.121 1.00 0.00 O +ATOM 1029 CB ARG A 61 -4.903 -1.741 6.327 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.021 -1.326 7.806 1.00 0.00 C +ATOM 1031 CD ARG A 61 -6.433 -1.409 8.372 1.00 0.00 C +ATOM 1032 NE ARG A 61 -6.435 -1.150 9.824 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -7.462 -1.364 10.659 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -8.669 -1.673 10.190 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -7.283 -1.222 11.964 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.298 -1.872 4.794 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.402 0.209 5.546 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.338 -2.724 6.233 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -3.855 -1.815 6.078 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.391 -1.978 8.392 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -4.661 -0.312 7.902 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -7.056 -0.676 7.880 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -6.829 -2.397 8.194 1.00 0.00 H +ATOM 1044 HE ARG A 61 -5.576 -0.831 10.183 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -8.871 -1.748 9.206 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -9.454 -1.847 10.790 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -6.397 -0.956 12.352 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -8.019 -1.367 12.630 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.861 -0.447 3.664 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.152 -0.611 2.424 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.676 -0.810 2.752 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.092 0.003 3.462 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.416 0.637 1.530 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.865 0.643 0.086 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.558 1.720 -0.728 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.380 0.921 0.070 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.501 0.168 4.342 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.530 -1.496 1.934 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.485 0.774 1.469 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.006 1.490 2.049 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.047 -0.317 -0.371 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.407 2.679 -0.256 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -4.613 1.504 -0.797 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.130 1.741 -1.720 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.203 1.879 0.537 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -1.034 0.947 -0.953 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -0.859 0.149 0.617 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.093 -1.890 2.263 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.294 -2.222 2.552 1.00 0.00 C +ATOM 1070 C VAL A 63 1.129 -2.118 1.282 1.00 0.00 C +ATOM 1071 O VAL A 63 0.806 -2.726 0.247 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.433 -3.655 3.151 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.887 -3.970 3.500 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.449 -3.815 4.380 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.588 -2.486 1.655 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.663 -1.506 3.270 1.00 0.00 H +ATOM 1077 HB VAL A 63 0.110 -4.363 2.403 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 1.956 -4.968 3.906 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.244 -3.264 4.235 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 2.499 -3.899 2.612 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -1.482 -3.658 4.105 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -0.160 -3.092 5.127 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -0.330 -4.810 4.783 1.00 0.00 H +ATOM 1084 N TYR A 64 2.188 -1.369 1.360 1.00 0.00 N +ATOM 1085 CA TYR A 64 3.060 -1.139 0.238 1.00 0.00 C +ATOM 1086 C TYR A 64 4.494 -1.170 0.688 1.00 0.00 C +ATOM 1087 O TYR A 64 4.762 -1.053 1.874 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.752 0.214 -0.449 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.882 1.463 0.421 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.117 1.906 0.900 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.773 2.212 0.727 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.221 3.047 1.656 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.870 3.352 1.481 1.00 0.00 C +ATOM 1094 CZ TYR A 64 3.097 3.764 1.944 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.193 4.898 2.700 1.00 0.00 O +ATOM 1096 H TYR A 64 2.423 -0.962 2.227 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.901 -1.932 -0.476 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.410 0.345 -1.295 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.736 0.179 -0.812 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 5.001 1.331 0.671 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.810 1.888 0.363 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.185 3.372 2.017 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.976 3.917 1.697 1.00 0.00 H +ATOM 1104 HH TYR A 64 2.493 4.891 3.357 1.00 0.00 H +ATOM 1105 N GLN A 65 5.398 -1.383 -0.214 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.776 -1.229 0.125 1.00 0.00 C +ATOM 1107 C GLN A 65 7.333 -0.068 -0.656 1.00 0.00 C +ATOM 1108 O GLN A 65 6.962 0.153 -1.823 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.636 -2.482 -0.100 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.912 -2.835 -1.548 1.00 0.00 C +ATOM 1111 CD GLN A 65 9.070 -3.794 -1.671 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 8.905 -5.001 -1.674 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 10.262 -3.265 -1.726 1.00 0.00 N +ATOM 1114 H GLN A 65 5.132 -1.608 -1.135 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.807 -0.952 1.168 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.586 -2.342 0.392 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 7.132 -3.317 0.362 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 7.031 -3.292 -1.976 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 8.150 -1.933 -2.093 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 10.342 -2.289 -1.680 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 11.040 -3.855 -1.834 1.00 0.00 H +ATOM 1122 N VAL A 66 8.164 0.686 -0.032 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.797 1.788 -0.678 1.00 0.00 C +ATOM 1124 C VAL A 66 10.091 1.301 -1.263 1.00 0.00 C +ATOM 1125 O VAL A 66 10.957 0.837 -0.549 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.071 2.949 0.314 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.862 4.069 -0.345 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.770 3.491 0.863 1.00 0.00 C +ATOM 1129 H VAL A 66 8.405 0.490 0.904 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.153 2.141 -1.470 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.650 2.563 1.139 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 10.026 4.857 0.375 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 9.314 4.453 -1.193 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 10.814 3.676 -0.671 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.987 4.275 1.574 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.232 2.696 1.358 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 7.170 3.888 0.058 1.00 0.00 H +ATOM 1138 N ILE A 67 10.199 1.301 -2.551 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.436 0.946 -3.147 1.00 0.00 C +ATOM 1140 C ILE A 67 12.122 2.232 -3.521 1.00 0.00 C +ATOM 1141 O ILE A 67 11.859 2.798 -4.591 1.00 0.00 O +ATOM 1142 CB ILE A 67 11.274 0.070 -4.410 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 10.284 -1.073 -4.150 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.639 -0.502 -4.779 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.993 -1.940 -5.362 1.00 0.00 C +ATOM 1146 H ILE A 67 9.447 1.572 -3.126 1.00 0.00 H +ATOM 1147 HA ILE A 67 12.029 0.424 -2.411 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.918 0.684 -5.223 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.685 -1.717 -3.382 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.350 -0.655 -3.806 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 13.323 0.305 -4.997 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 12.544 -1.143 -5.643 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 13.019 -1.075 -3.947 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 10.912 -2.392 -5.709 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.571 -1.332 -6.148 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 9.292 -2.714 -5.089 1.00 0.00 H +ATOM 1157 N ASP A 68 12.983 2.707 -2.657 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.649 3.984 -2.884 1.00 0.00 C +ATOM 1159 C ASP A 68 14.619 3.880 -4.042 1.00 0.00 C +ATOM 1160 O ASP A 68 14.756 4.807 -4.830 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.341 4.487 -1.615 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.005 5.835 -1.807 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 14.340 6.880 -1.626 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 16.211 5.872 -2.143 1.00 0.00 O +ATOM 1165 H ASP A 68 13.166 2.206 -1.832 1.00 0.00 H +ATOM 1166 HA ASP A 68 12.883 4.686 -3.172 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 13.609 4.579 -0.825 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.093 3.772 -1.316 1.00 0.00 H +ATOM 1169 N GLU A 69 15.213 2.700 -4.184 1.00 0.00 N +ATOM 1170 CA GLU A 69 16.170 2.397 -5.265 1.00 0.00 C +ATOM 1171 C GLU A 69 15.526 2.600 -6.641 1.00 0.00 C +ATOM 1172 O GLU A 69 16.187 2.981 -7.603 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.600 0.944 -5.175 1.00 0.00 C +ATOM 1174 CG GLU A 69 17.066 0.505 -3.810 1.00 0.00 C +ATOM 1175 CD GLU A 69 17.409 -0.952 -3.789 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 16.557 -1.776 -4.184 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 18.540 -1.308 -3.422 1.00 0.00 O +ATOM 1178 H GLU A 69 15.028 2.016 -3.508 1.00 0.00 H +ATOM 1179 HA GLU A 69 17.039 3.028 -5.162 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.766 0.321 -5.459 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 17.404 0.779 -5.877 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 17.936 1.077 -3.527 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 16.270 0.681 -3.103 1.00 0.00 H +ATOM 1184 N LYS A 70 14.242 2.318 -6.731 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.521 2.425 -7.995 1.00 0.00 C +ATOM 1186 C LYS A 70 12.656 3.684 -8.004 1.00 0.00 C +ATOM 1187 O LYS A 70 12.063 4.029 -9.021 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.640 1.186 -8.210 1.00 0.00 C +ATOM 1189 CG LYS A 70 13.381 -0.147 -8.242 1.00 0.00 C +ATOM 1190 CD LYS A 70 12.402 -1.314 -8.385 1.00 0.00 C +ATOM 1191 CE LYS A 70 13.099 -2.659 -8.219 1.00 0.00 C +ATOM 1192 NZ LYS A 70 12.165 -3.810 -8.344 1.00 0.00 N +ATOM 1193 H LYS A 70 13.761 2.046 -5.922 1.00 0.00 H +ATOM 1194 HA LYS A 70 14.246 2.485 -8.793 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 11.953 1.132 -7.379 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 12.084 1.299 -9.130 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 14.062 -0.151 -9.079 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 13.937 -0.262 -7.324 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 11.629 -1.223 -7.636 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 11.950 -1.269 -9.366 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 13.876 -2.754 -8.963 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 13.542 -2.681 -7.234 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 12.672 -4.704 -8.184 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 11.761 -3.838 -9.302 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 11.359 -3.764 -7.688 1.00 0.00 H +ATOM 1206 N VAL A 71 12.604 4.358 -6.844 1.00 0.00 N +ATOM 1207 CA VAL A 71 11.816 5.585 -6.627 1.00 0.00 C +ATOM 1208 C VAL A 71 10.299 5.273 -6.806 1.00 0.00 C +ATOM 1209 O VAL A 71 9.495 6.119 -7.172 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.303 6.762 -7.571 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 11.654 8.102 -7.214 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 13.819 6.904 -7.511 1.00 0.00 C +ATOM 1213 H VAL A 71 13.131 4.025 -6.089 1.00 0.00 H +ATOM 1214 HA VAL A 71 11.967 5.867 -5.593 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.028 6.512 -8.586 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 11.902 8.362 -6.195 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 10.583 8.019 -7.313 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 12.019 8.869 -7.881 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.118 7.128 -6.498 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.137 7.704 -8.163 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.277 5.977 -7.822 1.00 0.00 H +ATOM 1222 N VAL A 72 9.907 4.067 -6.457 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.528 3.669 -6.620 1.00 0.00 C +ATOM 1224 C VAL A 72 7.990 3.020 -5.347 1.00 0.00 C +ATOM 1225 O VAL A 72 8.691 2.276 -4.652 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.318 2.724 -7.866 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 9.071 1.419 -7.720 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 6.838 2.456 -8.141 1.00 0.00 C +ATOM 1229 H VAL A 72 10.545 3.445 -6.045 1.00 0.00 H +ATOM 1230 HA VAL A 72 7.966 4.577 -6.787 1.00 0.00 H +ATOM 1231 HB VAL A 72 8.733 3.232 -8.725 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 10.122 1.639 -7.630 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 8.898 0.803 -8.591 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 8.732 0.904 -6.834 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.740 1.810 -9.001 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.328 3.388 -8.331 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.398 1.977 -7.279 1.00 0.00 H +ATOM 1238 N VAL A 73 6.788 3.364 -5.030 1.00 0.00 N +ATOM 1239 CA VAL A 73 6.054 2.798 -3.955 1.00 0.00 C +ATOM 1240 C VAL A 73 5.180 1.709 -4.553 1.00 0.00 C +ATOM 1241 O VAL A 73 4.298 1.982 -5.387 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.182 3.882 -3.267 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.300 3.281 -2.204 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 6.062 4.958 -2.656 1.00 0.00 C +ATOM 1245 H VAL A 73 6.330 4.044 -5.572 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.744 2.371 -3.243 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.562 4.346 -4.019 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 3.707 4.058 -1.745 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 4.914 2.806 -1.454 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.646 2.547 -2.654 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 5.446 5.706 -2.178 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 6.651 5.419 -3.436 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 6.721 4.512 -1.928 1.00 0.00 H +ATOM 1254 N PHE A 74 5.442 0.501 -4.169 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.774 -0.633 -4.735 1.00 0.00 C +ATOM 1256 C PHE A 74 3.769 -1.188 -3.747 1.00 0.00 C +ATOM 1257 O PHE A 74 4.151 -1.708 -2.690 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.814 -1.696 -5.118 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.252 -2.912 -5.797 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.900 -2.868 -7.134 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 5.079 -4.098 -5.100 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.389 -3.979 -7.764 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.567 -5.214 -5.725 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.221 -5.154 -7.060 1.00 0.00 C +ATOM 1265 H PHE A 74 6.098 0.359 -3.451 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.260 -0.314 -5.630 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.537 -1.253 -5.789 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.323 -2.018 -4.222 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 5.031 -1.948 -7.686 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.348 -4.143 -4.055 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.120 -3.930 -8.809 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.437 -6.133 -5.173 1.00 0.00 H +ATOM 1273 HZ PHE A 74 3.818 -6.026 -7.554 1.00 0.00 H +ATOM 1274 N VAL A 75 2.502 -1.050 -4.071 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.433 -1.558 -3.240 1.00 0.00 C +ATOM 1276 C VAL A 75 1.360 -3.056 -3.404 1.00 0.00 C +ATOM 1277 O VAL A 75 1.186 -3.561 -4.517 1.00 0.00 O +ATOM 1278 CB VAL A 75 0.066 -0.912 -3.580 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.040 -1.449 -2.669 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.155 0.605 -3.481 1.00 0.00 C +ATOM 1281 H VAL A 75 2.280 -0.604 -4.920 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.686 -1.342 -2.213 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.187 -1.171 -4.597 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -1.124 -2.518 -2.799 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -1.981 -0.983 -2.921 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -0.797 -1.234 -1.640 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.457 0.890 -2.485 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 -0.811 1.038 -3.698 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.880 0.969 -4.195 1.00 0.00 H +ATOM 1290 N ILE A 76 1.500 -3.747 -2.308 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.579 -5.181 -2.314 1.00 0.00 C +ATOM 1292 C ILE A 76 0.200 -5.788 -2.058 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.189 -6.767 -2.691 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.564 -5.670 -1.222 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.903 -4.926 -1.334 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.795 -7.162 -1.369 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.878 -5.246 -0.221 1.00 0.00 C +ATOM 1298 H ILE A 76 1.531 -3.275 -1.447 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.946 -5.504 -3.277 1.00 0.00 H +ATOM 1300 HB ILE A 76 2.133 -5.477 -0.250 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.374 -5.191 -2.268 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.717 -3.863 -1.320 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 1.849 -7.677 -1.284 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 3.467 -7.503 -0.595 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 3.228 -7.365 -2.338 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 5.801 -4.712 -0.389 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 5.071 -6.308 -0.204 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 4.456 -4.945 0.726 1.00 0.00 H +ATOM 1309 N SER A 77 -0.538 -5.196 -1.140 1.00 0.00 N +ATOM 1310 CA SER A 77 -1.841 -5.697 -0.791 1.00 0.00 C +ATOM 1311 C SER A 77 -2.674 -4.557 -0.209 1.00 0.00 C +ATOM 1312 O SER A 77 -2.122 -3.596 0.344 1.00 0.00 O +ATOM 1313 CB SER A 77 -1.705 -6.862 0.214 1.00 0.00 C +ATOM 1314 OG SER A 77 -2.953 -7.492 0.462 1.00 0.00 O +ATOM 1315 H SER A 77 -0.226 -4.386 -0.679 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.315 -6.057 -1.691 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.021 -7.596 -0.183 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -1.313 -6.483 1.147 1.00 0.00 H +ATOM 1319 HG SER A 77 -2.889 -8.422 0.227 1.00 0.00 H +ATOM 1320 N VAL A 78 -3.971 -4.643 -0.361 1.00 0.00 N +ATOM 1321 CA VAL A 78 -4.880 -3.637 0.120 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.205 -4.318 0.485 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.564 -5.336 -0.120 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.090 -2.512 -0.958 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.686 -3.053 -2.247 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -5.929 -1.372 -0.420 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.368 -5.435 -0.782 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.453 -3.202 1.012 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.113 -2.122 -1.204 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -5.025 -3.797 -2.666 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.813 -2.247 -2.955 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -6.646 -3.502 -2.040 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.438 -0.943 0.441 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -6.904 -1.743 -0.139 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.034 -0.618 -1.187 1.00 0.00 H +ATOM 1336 N GLY A 79 -6.884 -3.812 1.487 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.159 -4.369 1.867 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.397 -4.227 3.342 1.00 0.00 C +ATOM 1339 O GLY A 79 -7.892 -3.302 3.960 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.510 -3.062 2.006 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -8.943 -3.859 1.328 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.179 -5.415 1.610 1.00 0.00 H +ATOM 1343 N LYS A 80 -9.150 -5.118 3.911 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.395 -5.077 5.332 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.324 -5.886 6.012 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.962 -6.964 5.537 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.773 -5.621 5.677 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.907 -4.913 4.968 1.00 0.00 C +ATOM 1349 CD LYS A 80 -13.241 -5.432 5.441 1.00 0.00 C +ATOM 1350 CE LYS A 80 -14.382 -4.842 4.636 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -15.693 -5.349 5.073 1.00 0.00 N +ATOM 1352 H LYS A 80 -9.525 -5.850 3.377 1.00 0.00 H +ATOM 1353 HA LYS A 80 -9.316 -4.050 5.654 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.809 -6.667 5.409 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.928 -5.528 6.742 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.846 -3.855 5.170 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.818 -5.082 3.905 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -13.256 -6.509 5.364 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.344 -5.128 6.473 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -14.365 -3.767 4.733 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -14.234 -5.100 3.598 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -16.447 -4.906 4.512 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -15.884 -5.140 6.072 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -15.761 -6.377 4.926 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.811 -5.385 7.098 1.00 0.00 N +ATOM 1366 CA ALA A 81 -6.719 -6.035 7.752 1.00 0.00 C +ATOM 1367 C ALA A 81 -6.956 -6.191 9.227 1.00 0.00 C +ATOM 1368 O ALA A 81 -6.879 -5.213 9.995 1.00 0.00 O +ATOM 1369 CB ALA A 81 -5.433 -5.271 7.512 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.184 -4.567 7.488 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.599 -7.013 7.311 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -4.605 -5.812 7.947 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -5.502 -4.297 7.973 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -5.270 -5.159 6.451 1.00 0.00 H +ATOM 1375 N GLU A 82 -7.277 -7.390 9.632 1.00 0.00 N +ATOM 1376 CA GLU A 82 -7.371 -7.679 11.036 1.00 0.00 C +ATOM 1377 C GLU A 82 -5.961 -7.905 11.548 1.00 0.00 C +ATOM 1378 O GLU A 82 -5.594 -7.415 12.612 1.00 0.00 O +ATOM 1379 CB GLU A 82 -8.275 -8.883 11.302 1.00 0.00 C +ATOM 1380 CG GLU A 82 -9.692 -8.718 10.753 1.00 0.00 C +ATOM 1381 CD GLU A 82 -10.421 -7.537 11.350 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -10.288 -6.414 10.831 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -11.137 -7.713 12.358 1.00 0.00 O +ATOM 1384 H GLU A 82 -7.481 -8.091 8.976 1.00 0.00 H +ATOM 1385 HA GLU A 82 -7.768 -6.802 11.525 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -7.833 -9.762 10.857 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -8.344 -9.034 12.369 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -9.633 -8.575 9.685 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -10.253 -9.617 10.963 1.00 0.00 H +ATOM 1390 N ALA A 83 -5.163 -8.606 10.732 1.00 0.00 N +ATOM 1391 CA ALA A 83 -3.745 -8.844 10.973 1.00 0.00 C +ATOM 1392 C ALA A 83 -3.125 -9.642 9.823 1.00 0.00 C +ATOM 1393 O ALA A 83 -2.515 -9.081 8.917 1.00 0.00 O +ATOM 1394 CB ALA A 83 -3.490 -9.569 12.301 1.00 0.00 C +ATOM 1395 H ALA A 83 -5.563 -8.991 9.923 1.00 0.00 H +ATOM 1396 HA ALA A 83 -3.260 -7.879 11.009 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -3.934 -10.552 12.272 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -3.925 -9.002 13.111 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -2.425 -9.659 12.457 1.00 0.00 H +ATOM 1400 N SER A 84 -3.396 -10.929 9.819 1.00 0.00 N +ATOM 1401 CA SER A 84 -2.740 -11.886 8.950 1.00 0.00 C +ATOM 1402 C SER A 84 -3.036 -11.687 7.460 1.00 0.00 C +ATOM 1403 O SER A 84 -2.158 -11.902 6.651 1.00 0.00 O +ATOM 1404 CB SER A 84 -3.122 -13.315 9.380 1.00 0.00 C +ATOM 1405 OG SER A 84 -2.358 -14.312 8.699 1.00 0.00 O +ATOM 1406 H SER A 84 -4.086 -11.268 10.432 1.00 0.00 H +ATOM 1407 HA SER A 84 -1.676 -11.784 9.099 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -2.971 -13.425 10.442 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -4.167 -13.473 9.158 1.00 0.00 H +ATOM 1410 HG SER A 84 -1.803 -13.909 8.010 1.00 0.00 H +ATOM 1411 N GLU A 85 -4.219 -11.197 7.121 1.00 0.00 N +ATOM 1412 CA GLU A 85 -4.686 -11.171 5.717 1.00 0.00 C +ATOM 1413 C GLU A 85 -3.724 -10.408 4.802 1.00 0.00 C +ATOM 1414 O GLU A 85 -3.240 -10.947 3.804 1.00 0.00 O +ATOM 1415 CB GLU A 85 -6.071 -10.516 5.644 1.00 0.00 C +ATOM 1416 CG GLU A 85 -6.727 -10.576 4.273 1.00 0.00 C +ATOM 1417 CD GLU A 85 -7.136 -11.976 3.898 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -6.287 -12.779 3.448 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -8.319 -12.319 4.078 1.00 0.00 O +ATOM 1420 H GLU A 85 -4.805 -10.849 7.825 1.00 0.00 H +ATOM 1421 HA GLU A 85 -4.772 -12.191 5.370 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -6.722 -11.019 6.343 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -5.982 -9.478 5.934 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -7.606 -9.949 4.278 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -6.026 -10.210 3.537 1.00 0.00 H +ATOM 1426 N VAL A 86 -3.384 -9.205 5.184 1.00 0.00 N +ATOM 1427 CA VAL A 86 -2.526 -8.392 4.351 1.00 0.00 C +ATOM 1428 C VAL A 86 -1.066 -8.785 4.488 1.00 0.00 C +ATOM 1429 O VAL A 86 -0.313 -8.706 3.530 1.00 0.00 O +ATOM 1430 CB VAL A 86 -2.708 -6.869 4.595 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -4.110 -6.427 4.192 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -2.431 -6.505 6.050 1.00 0.00 C +ATOM 1433 H VAL A 86 -3.723 -8.864 6.035 1.00 0.00 H +ATOM 1434 HA VAL A 86 -2.813 -8.604 3.330 1.00 0.00 H +ATOM 1435 HB VAL A 86 -2.000 -6.346 3.968 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -4.214 -5.366 4.365 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -4.839 -6.964 4.780 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -4.270 -6.638 3.144 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -3.118 -7.042 6.688 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -2.567 -5.443 6.191 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -1.417 -6.777 6.304 1.00 0.00 H +ATOM 1442 N TYR A 87 -0.681 -9.261 5.662 1.00 0.00 N +ATOM 1443 CA TYR A 87 0.714 -9.606 5.907 1.00 0.00 C +ATOM 1444 C TYR A 87 1.089 -10.899 5.207 1.00 0.00 C +ATOM 1445 O TYR A 87 2.132 -10.974 4.549 1.00 0.00 O +ATOM 1446 CB TYR A 87 1.035 -9.714 7.402 1.00 0.00 C +ATOM 1447 CG TYR A 87 0.807 -8.453 8.226 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 0.924 -7.185 7.670 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 0.499 -8.542 9.578 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 0.736 -6.051 8.436 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 0.307 -7.410 10.347 1.00 0.00 C +ATOM 1452 CZ TYR A 87 0.427 -6.169 9.770 1.00 0.00 C +ATOM 1453 OH TYR A 87 0.248 -5.031 10.541 1.00 0.00 O +ATOM 1454 H TYR A 87 -1.351 -9.389 6.365 1.00 0.00 H +ATOM 1455 HA TYR A 87 1.318 -8.818 5.479 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 0.434 -10.503 7.820 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 2.071 -9.995 7.501 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 1.162 -7.087 6.621 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 0.407 -9.519 10.029 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 0.831 -5.075 7.982 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 0.063 -7.503 11.395 1.00 0.00 H +ATOM 1462 HH TYR A 87 0.738 -5.187 11.359 1.00 0.00 H +ATOM 1463 N SER A 88 0.226 -11.900 5.323 1.00 0.00 N +ATOM 1464 CA SER A 88 0.458 -13.188 4.716 1.00 0.00 C +ATOM 1465 C SER A 88 0.468 -13.067 3.202 1.00 0.00 C +ATOM 1466 O SER A 88 1.309 -13.667 2.538 1.00 0.00 O +ATOM 1467 CB SER A 88 -0.591 -14.191 5.186 1.00 0.00 C +ATOM 1468 OG SER A 88 -0.594 -14.267 6.609 1.00 0.00 O +ATOM 1469 H SER A 88 -0.608 -11.782 5.832 1.00 0.00 H +ATOM 1470 HA SER A 88 1.431 -13.527 5.039 1.00 0.00 H +ATOM 1471 HB2 SER A 88 -1.568 -13.877 4.848 1.00 0.00 H +ATOM 1472 HB3 SER A 88 -0.361 -15.167 4.786 1.00 0.00 H +ATOM 1473 HG SER A 88 0.228 -13.850 6.895 1.00 0.00 H +ATOM 1474 N GLU A 89 -0.433 -12.255 2.662 1.00 0.00 N +ATOM 1475 CA GLU A 89 -0.455 -12.032 1.240 1.00 0.00 C +ATOM 1476 C GLU A 89 0.828 -11.322 0.822 1.00 0.00 C +ATOM 1477 O GLU A 89 1.501 -11.757 -0.096 1.00 0.00 O +ATOM 1478 CB GLU A 89 -1.677 -11.204 0.826 1.00 0.00 C +ATOM 1479 CG GLU A 89 -1.810 -11.024 -0.683 1.00 0.00 C +ATOM 1480 CD GLU A 89 -2.023 -12.338 -1.409 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -1.049 -13.077 -1.669 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -3.180 -12.670 -1.722 1.00 0.00 O +ATOM 1483 H GLU A 89 -1.100 -11.813 3.230 1.00 0.00 H +ATOM 1484 HA GLU A 89 -0.495 -12.996 0.754 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -2.569 -11.693 1.187 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 -1.601 -10.228 1.280 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -2.652 -10.380 -0.885 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -0.907 -10.563 -1.057 1.00 0.00 H +ATOM 1489 N ALA A 90 1.187 -10.267 1.562 1.00 0.00 N +ATOM 1490 CA ALA A 90 2.366 -9.455 1.266 1.00 0.00 C +ATOM 1491 C ALA A 90 3.636 -10.286 1.190 1.00 0.00 C +ATOM 1492 O ALA A 90 4.381 -10.197 0.211 1.00 0.00 O +ATOM 1493 CB ALA A 90 2.527 -8.330 2.276 1.00 0.00 C +ATOM 1494 H ALA A 90 0.632 -10.023 2.336 1.00 0.00 H +ATOM 1495 HA ALA A 90 2.199 -9.010 0.297 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 2.734 -8.750 3.250 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 1.615 -7.753 2.321 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 3.345 -7.692 1.978 1.00 0.00 H +ATOM 1499 N VAL A 91 3.864 -11.119 2.195 1.00 0.00 N +ATOM 1500 CA VAL A 91 5.054 -11.951 2.222 1.00 0.00 C +ATOM 1501 C VAL A 91 5.010 -13.012 1.099 1.00 0.00 C +ATOM 1502 O VAL A 91 6.044 -13.396 0.553 1.00 0.00 O +ATOM 1503 CB VAL A 91 5.305 -12.589 3.635 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 4.190 -13.528 4.056 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 6.654 -13.286 3.705 1.00 0.00 C +ATOM 1506 H VAL A 91 3.216 -11.165 2.933 1.00 0.00 H +ATOM 1507 HA VAL A 91 5.878 -11.290 1.988 1.00 0.00 H +ATOM 1508 HB VAL A 91 5.313 -11.777 4.348 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 3.255 -12.986 4.077 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 4.399 -13.922 5.039 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 4.117 -14.342 3.349 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 6.682 -14.083 2.978 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 6.802 -13.692 4.693 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 7.436 -12.574 3.487 1.00 0.00 H +ATOM 1515 N LYS A 92 3.810 -13.449 0.739 1.00 0.00 N +ATOM 1516 CA LYS A 92 3.620 -14.397 -0.358 1.00 0.00 C +ATOM 1517 C LYS A 92 3.717 -13.747 -1.750 1.00 0.00 C +ATOM 1518 O LYS A 92 3.740 -14.455 -2.754 1.00 0.00 O +ATOM 1519 CB LYS A 92 2.311 -15.206 -0.226 1.00 0.00 C +ATOM 1520 CG LYS A 92 2.409 -16.530 0.557 1.00 0.00 C +ATOM 1521 CD LYS A 92 2.909 -16.362 1.984 1.00 0.00 C +ATOM 1522 CE LYS A 92 2.886 -17.684 2.743 1.00 0.00 C +ATOM 1523 NZ LYS A 92 3.739 -18.718 2.112 1.00 0.00 N +ATOM 1524 H LYS A 92 3.015 -13.128 1.221 1.00 0.00 H +ATOM 1525 HA LYS A 92 4.445 -15.086 -0.282 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 1.573 -14.587 0.263 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 1.960 -15.433 -1.220 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 1.429 -16.980 0.594 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 3.078 -17.187 0.022 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 3.925 -15.994 1.953 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 2.279 -15.649 2.495 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 3.243 -17.513 3.748 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 1.870 -18.046 2.784 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 3.443 -18.905 1.132 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 3.655 -19.621 2.619 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 4.745 -18.449 2.103 1.00 0.00 H +ATOM 1537 N ARG A 93 3.725 -12.418 -1.821 1.00 0.00 N +ATOM 1538 CA ARG A 93 3.800 -11.727 -3.122 1.00 0.00 C +ATOM 1539 C ARG A 93 5.239 -11.521 -3.560 1.00 0.00 C +ATOM 1540 O ARG A 93 5.502 -11.205 -4.725 1.00 0.00 O +ATOM 1541 CB ARG A 93 3.113 -10.340 -3.098 1.00 0.00 C +ATOM 1542 CG ARG A 93 1.630 -10.323 -2.751 1.00 0.00 C +ATOM 1543 CD ARG A 93 0.822 -11.214 -3.660 1.00 0.00 C +ATOM 1544 NE ARG A 93 0.908 -10.826 -5.062 1.00 0.00 N +ATOM 1545 CZ ARG A 93 1.059 -11.665 -6.084 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 1.019 -12.985 -5.888 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 1.232 -11.176 -7.294 1.00 0.00 N +ATOM 1548 H ARG A 93 3.668 -11.891 -0.994 1.00 0.00 H +ATOM 1549 HA ARG A 93 3.304 -12.342 -3.856 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 3.622 -9.726 -2.370 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 3.239 -9.886 -4.070 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 1.504 -10.663 -1.734 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 1.265 -9.310 -2.836 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 1.209 -12.215 -3.560 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 -0.208 -11.182 -3.337 1.00 0.00 H +ATOM 1556 HE ARG A 93 0.862 -9.856 -5.255 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 0.874 -13.391 -4.981 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 1.127 -13.635 -6.646 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 1.252 -10.169 -7.405 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 1.353 -11.737 -8.117 1.00 0.00 H +ATOM 1561 N ILE A 94 6.166 -11.664 -2.635 1.00 0.00 N +ATOM 1562 CA ILE A 94 7.556 -11.376 -2.926 1.00 0.00 C +ATOM 1563 C ILE A 94 8.443 -12.546 -2.524 1.00 0.00 C +ATOM 1564 O ILE A 94 8.764 -12.718 -1.337 1.00 0.00 O +ATOM 1565 CB ILE A 94 8.035 -10.098 -2.183 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 7.085 -8.929 -2.471 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 9.463 -9.734 -2.616 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 7.355 -7.709 -1.638 1.00 0.00 C +ATOM 1569 H ILE A 94 5.918 -11.983 -1.743 1.00 0.00 H +ATOM 1570 HA ILE A 94 7.646 -11.206 -3.988 1.00 0.00 H +ATOM 1571 HB ILE A 94 8.038 -10.298 -1.121 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 7.182 -8.643 -3.509 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 6.069 -9.244 -2.286 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 9.477 -9.541 -3.678 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 10.130 -10.553 -2.391 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 9.785 -8.850 -2.084 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 7.248 -7.960 -0.594 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 6.656 -6.929 -1.900 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 8.363 -7.368 -1.824 1.00 0.00 H +ATOM 1580 N LEU A 95 8.804 -13.341 -3.493 1.00 0.00 N +ATOM 1581 CA LEU A 95 9.673 -14.472 -3.315 1.00 0.00 C +ATOM 1582 C LEU A 95 9.973 -15.035 -4.679 1.00 0.00 C +ATOM 1583 O LEU A 95 11.129 -14.938 -5.128 1.00 0.00 O +ATOM 1584 CB LEU A 95 9.050 -15.554 -2.426 1.00 0.00 C +ATOM 1585 CG LEU A 95 9.971 -16.723 -2.052 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 11.151 -16.239 -1.220 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 9.201 -17.796 -1.309 1.00 0.00 C +ATOM 1588 OXT LEU A 95 9.020 -15.509 -5.351 1.00 0.00 O +ATOM 1589 H LEU A 95 8.496 -13.170 -4.412 1.00 0.00 H +ATOM 1590 HA LEU A 95 10.591 -14.116 -2.872 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 8.698 -15.080 -1.521 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 8.196 -15.954 -2.952 1.00 0.00 H +ATOM 1593 HG LEU A 95 10.367 -17.155 -2.960 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 10.787 -15.750 -0.329 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 11.749 -15.547 -1.794 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 11.759 -17.086 -0.937 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 8.810 -17.385 -0.390 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 9.868 -18.616 -1.086 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 8.387 -18.150 -1.923 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MODEL 20 +ATOM 1 N MET A 1 10.970 15.873 -3.030 1.00 0.00 N +ATOM 2 CA MET A 1 10.995 14.737 -3.949 1.00 0.00 C +ATOM 3 C MET A 1 9.745 13.906 -3.722 1.00 0.00 C +ATOM 4 O MET A 1 9.167 13.941 -2.628 1.00 0.00 O +ATOM 5 CB MET A 1 12.263 13.902 -3.689 1.00 0.00 C +ATOM 6 CG MET A 1 12.493 12.740 -4.639 1.00 0.00 C +ATOM 7 SD MET A 1 14.013 11.850 -4.259 1.00 0.00 S +ATOM 8 CE MET A 1 13.996 10.589 -5.531 1.00 0.00 C +ATOM 9 H MET A 1 10.121 16.444 -3.199 1.00 0.00 H +ATOM 10 HA MET A 1 11.000 15.106 -4.964 1.00 0.00 H +ATOM 11 HB2 MET A 1 13.124 14.552 -3.756 1.00 0.00 H +ATOM 12 HB3 MET A 1 12.210 13.510 -2.684 1.00 0.00 H +ATOM 13 HG2 MET A 1 11.660 12.056 -4.570 1.00 0.00 H +ATOM 14 HG3 MET A 1 12.564 13.122 -5.647 1.00 0.00 H +ATOM 15 HE1 MET A 1 13.116 9.974 -5.415 1.00 0.00 H +ATOM 16 HE2 MET A 1 14.878 9.971 -5.449 1.00 0.00 H +ATOM 17 HE3 MET A 1 13.976 11.057 -6.503 1.00 0.00 H +ATOM 18 N ALA A 2 9.300 13.216 -4.740 1.00 0.00 N +ATOM 19 CA ALA A 2 8.156 12.356 -4.647 1.00 0.00 C +ATOM 20 C ALA A 2 8.512 10.989 -5.200 1.00 0.00 C +ATOM 21 O ALA A 2 9.537 10.829 -5.884 1.00 0.00 O +ATOM 22 CB ALA A 2 6.979 12.956 -5.409 1.00 0.00 C +ATOM 23 H ALA A 2 9.755 13.266 -5.611 1.00 0.00 H +ATOM 24 HA ALA A 2 7.885 12.261 -3.606 1.00 0.00 H +ATOM 25 HB1 ALA A 2 6.119 12.309 -5.314 1.00 0.00 H +ATOM 26 HB2 ALA A 2 7.239 13.055 -6.452 1.00 0.00 H +ATOM 27 HB3 ALA A 2 6.746 13.930 -5.005 1.00 0.00 H +ATOM 28 N TYR A 3 7.702 10.019 -4.898 1.00 0.00 N +ATOM 29 CA TYR A 3 7.898 8.668 -5.370 1.00 0.00 C +ATOM 30 C TYR A 3 6.745 8.290 -6.273 1.00 0.00 C +ATOM 31 O TYR A 3 5.720 8.969 -6.285 1.00 0.00 O +ATOM 32 CB TYR A 3 7.994 7.676 -4.191 1.00 0.00 C +ATOM 33 CG TYR A 3 9.242 7.804 -3.328 1.00 0.00 C +ATOM 34 CD1 TYR A 3 9.425 8.877 -2.464 1.00 0.00 C +ATOM 35 CD2 TYR A 3 10.235 6.836 -3.380 1.00 0.00 C +ATOM 36 CE1 TYR A 3 10.559 8.982 -1.682 1.00 0.00 C +ATOM 37 CE2 TYR A 3 11.371 6.933 -2.599 1.00 0.00 C +ATOM 38 CZ TYR A 3 11.527 8.007 -1.753 1.00 0.00 C +ATOM 39 OH TYR A 3 12.654 8.102 -0.972 1.00 0.00 O +ATOM 40 H TYR A 3 6.915 10.208 -4.345 1.00 0.00 H +ATOM 41 HA TYR A 3 8.817 8.638 -5.935 1.00 0.00 H +ATOM 42 HB2 TYR A 3 7.140 7.813 -3.545 1.00 0.00 H +ATOM 43 HB3 TYR A 3 7.964 6.673 -4.588 1.00 0.00 H +ATOM 44 HD1 TYR A 3 8.664 9.642 -2.411 1.00 0.00 H +ATOM 45 HD2 TYR A 3 10.113 5.993 -4.044 1.00 0.00 H +ATOM 46 HE1 TYR A 3 10.682 9.825 -1.017 1.00 0.00 H +ATOM 47 HE2 TYR A 3 12.132 6.168 -2.656 1.00 0.00 H +ATOM 48 HH TYR A 3 13.388 8.043 -1.597 1.00 0.00 H +ATOM 49 N PHE A 4 6.918 7.242 -7.036 1.00 0.00 N +ATOM 50 CA PHE A 4 5.864 6.746 -7.901 1.00 0.00 C +ATOM 51 C PHE A 4 4.994 5.778 -7.108 1.00 0.00 C +ATOM 52 O PHE A 4 5.408 5.314 -6.057 1.00 0.00 O +ATOM 53 CB PHE A 4 6.463 6.055 -9.135 1.00 0.00 C +ATOM 54 CG PHE A 4 7.254 6.974 -10.028 1.00 0.00 C +ATOM 55 CD1 PHE A 4 6.632 7.680 -11.043 1.00 0.00 C +ATOM 56 CD2 PHE A 4 8.619 7.132 -9.852 1.00 0.00 C +ATOM 57 CE1 PHE A 4 7.355 8.527 -11.863 1.00 0.00 C +ATOM 58 CE2 PHE A 4 9.346 7.977 -10.665 1.00 0.00 C +ATOM 59 CZ PHE A 4 8.715 8.674 -11.674 1.00 0.00 C +ATOM 60 H PHE A 4 7.780 6.769 -7.010 1.00 0.00 H +ATOM 61 HA PHE A 4 5.262 7.587 -8.213 1.00 0.00 H +ATOM 62 HB2 PHE A 4 7.131 5.276 -8.799 1.00 0.00 H +ATOM 63 HB3 PHE A 4 5.671 5.611 -9.718 1.00 0.00 H +ATOM 64 HD1 PHE A 4 5.569 7.564 -11.193 1.00 0.00 H +ATOM 65 HD2 PHE A 4 9.117 6.586 -9.063 1.00 0.00 H +ATOM 66 HE1 PHE A 4 6.858 9.072 -12.651 1.00 0.00 H +ATOM 67 HE2 PHE A 4 10.410 8.090 -10.514 1.00 0.00 H +ATOM 68 HZ PHE A 4 9.283 9.334 -12.312 1.00 0.00 H +ATOM 69 N LEU A 5 3.803 5.504 -7.571 1.00 0.00 N +ATOM 70 CA LEU A 5 2.907 4.600 -6.865 1.00 0.00 C +ATOM 71 C LEU A 5 2.439 3.516 -7.834 1.00 0.00 C +ATOM 72 O LEU A 5 1.859 3.836 -8.881 1.00 0.00 O +ATOM 73 CB LEU A 5 1.701 5.407 -6.290 1.00 0.00 C +ATOM 74 CG LEU A 5 0.803 4.745 -5.198 1.00 0.00 C +ATOM 75 CD1 LEU A 5 0.055 3.521 -5.693 1.00 0.00 C +ATOM 76 CD2 LEU A 5 1.612 4.398 -3.967 1.00 0.00 C +ATOM 77 H LEU A 5 3.512 5.884 -8.427 1.00 0.00 H +ATOM 78 HA LEU A 5 3.456 4.146 -6.053 1.00 0.00 H +ATOM 79 HB2 LEU A 5 2.090 6.324 -5.875 1.00 0.00 H +ATOM 80 HB3 LEU A 5 1.067 5.671 -7.125 1.00 0.00 H +ATOM 81 HG LEU A 5 0.056 5.466 -4.900 1.00 0.00 H +ATOM 82 HD11 LEU A 5 -0.493 3.080 -4.873 1.00 0.00 H +ATOM 83 HD12 LEU A 5 0.761 2.800 -6.078 1.00 0.00 H +ATOM 84 HD13 LEU A 5 -0.633 3.810 -6.474 1.00 0.00 H +ATOM 85 HD21 LEU A 5 2.044 5.294 -3.546 1.00 0.00 H +ATOM 86 HD22 LEU A 5 2.396 3.706 -4.237 1.00 0.00 H +ATOM 87 HD23 LEU A 5 0.968 3.930 -3.238 1.00 0.00 H +ATOM 88 N ASP A 6 2.665 2.260 -7.502 1.00 0.00 N +ATOM 89 CA ASP A 6 2.223 1.158 -8.354 1.00 0.00 C +ATOM 90 C ASP A 6 1.549 0.098 -7.476 1.00 0.00 C +ATOM 91 O ASP A 6 1.649 0.154 -6.246 1.00 0.00 O +ATOM 92 CB ASP A 6 3.404 0.548 -9.139 1.00 0.00 C +ATOM 93 CG ASP A 6 2.972 -0.193 -10.405 1.00 0.00 C +ATOM 94 OD1 ASP A 6 2.362 -1.263 -10.324 1.00 0.00 O +ATOM 95 OD2 ASP A 6 3.245 0.310 -11.520 1.00 0.00 O +ATOM 96 H ASP A 6 3.120 2.047 -6.653 1.00 0.00 H +ATOM 97 HA ASP A 6 1.488 1.551 -9.041 1.00 0.00 H +ATOM 98 HB2 ASP A 6 4.081 1.338 -9.428 1.00 0.00 H +ATOM 99 HB3 ASP A 6 3.927 -0.147 -8.498 1.00 0.00 H +ATOM 100 N PHE A 7 0.899 -0.858 -8.088 1.00 0.00 N +ATOM 101 CA PHE A 7 0.138 -1.871 -7.381 1.00 0.00 C +ATOM 102 C PHE A 7 0.500 -3.233 -7.920 1.00 0.00 C +ATOM 103 O PHE A 7 0.618 -3.400 -9.134 1.00 0.00 O +ATOM 104 CB PHE A 7 -1.386 -1.691 -7.607 1.00 0.00 C +ATOM 105 CG PHE A 7 -1.985 -0.374 -7.187 1.00 0.00 C +ATOM 106 CD1 PHE A 7 -2.065 0.685 -8.081 1.00 0.00 C +ATOM 107 CD2 PHE A 7 -2.491 -0.205 -5.912 1.00 0.00 C +ATOM 108 CE1 PHE A 7 -2.633 1.884 -7.706 1.00 0.00 C +ATOM 109 CE2 PHE A 7 -3.064 0.992 -5.532 1.00 0.00 C +ATOM 110 CZ PHE A 7 -3.134 2.039 -6.430 1.00 0.00 C +ATOM 111 H PHE A 7 0.997 -0.939 -9.064 1.00 0.00 H +ATOM 112 HA PHE A 7 0.345 -1.812 -6.324 1.00 0.00 H +ATOM 113 HB2 PHE A 7 -1.602 -1.814 -8.658 1.00 0.00 H +ATOM 114 HB3 PHE A 7 -1.900 -2.474 -7.069 1.00 0.00 H +ATOM 115 HD1 PHE A 7 -1.673 0.563 -9.080 1.00 0.00 H +ATOM 116 HD2 PHE A 7 -2.436 -1.021 -5.207 1.00 0.00 H +ATOM 117 HE1 PHE A 7 -2.685 2.701 -8.411 1.00 0.00 H +ATOM 118 HE2 PHE A 7 -3.457 1.111 -4.533 1.00 0.00 H +ATOM 119 HZ PHE A 7 -3.583 2.977 -6.138 1.00 0.00 H +ATOM 120 N ASP A 8 0.682 -4.200 -7.039 1.00 0.00 N +ATOM 121 CA ASP A 8 0.849 -5.598 -7.448 1.00 0.00 C +ATOM 122 C ASP A 8 -0.393 -6.027 -8.197 1.00 0.00 C +ATOM 123 O ASP A 8 -1.467 -5.427 -7.999 1.00 0.00 O +ATOM 124 CB ASP A 8 1.068 -6.532 -6.237 1.00 0.00 C +ATOM 125 CG ASP A 8 1.170 -8.004 -6.632 1.00 0.00 C +ATOM 126 OD1 ASP A 8 2.256 -8.460 -7.047 1.00 0.00 O +ATOM 127 OD2 ASP A 8 0.162 -8.732 -6.536 1.00 0.00 O +ATOM 128 H ASP A 8 0.719 -3.984 -6.080 1.00 0.00 H +ATOM 129 HA ASP A 8 1.700 -5.653 -8.111 1.00 0.00 H +ATOM 130 HB2 ASP A 8 1.984 -6.251 -5.736 1.00 0.00 H +ATOM 131 HB3 ASP A 8 0.241 -6.418 -5.551 1.00 0.00 H +ATOM 132 N GLU A 9 -0.269 -7.028 -9.052 1.00 0.00 N +ATOM 133 CA GLU A 9 -1.389 -7.501 -9.825 1.00 0.00 C +ATOM 134 C GLU A 9 -2.588 -7.824 -8.928 1.00 0.00 C +ATOM 135 O GLU A 9 -3.686 -7.416 -9.238 1.00 0.00 O +ATOM 136 CB GLU A 9 -1.015 -8.705 -10.691 1.00 0.00 C +ATOM 137 CG GLU A 9 -0.376 -9.850 -9.928 1.00 0.00 C +ATOM 138 CD GLU A 9 -0.304 -11.101 -10.739 1.00 0.00 C +ATOM 139 OE1 GLU A 9 0.487 -11.173 -11.692 1.00 0.00 O +ATOM 140 OE2 GLU A 9 -1.046 -12.052 -10.435 1.00 0.00 O +ATOM 141 H GLU A 9 0.607 -7.459 -9.154 1.00 0.00 H +ATOM 142 HA GLU A 9 -1.677 -6.686 -10.473 1.00 0.00 H +ATOM 143 HB2 GLU A 9 -1.906 -9.081 -11.171 1.00 0.00 H +ATOM 144 HB3 GLU A 9 -0.321 -8.379 -11.452 1.00 0.00 H +ATOM 145 HG2 GLU A 9 0.624 -9.565 -9.632 1.00 0.00 H +ATOM 146 HG3 GLU A 9 -0.973 -10.040 -9.048 1.00 0.00 H +ATOM 147 N ARG A 10 -2.351 -8.461 -7.775 1.00 0.00 N +ATOM 148 CA ARG A 10 -3.430 -8.775 -6.844 1.00 0.00 C +ATOM 149 C ARG A 10 -4.063 -7.519 -6.306 1.00 0.00 C +ATOM 150 O ARG A 10 -5.291 -7.373 -6.297 1.00 0.00 O +ATOM 151 CB ARG A 10 -2.924 -9.534 -5.659 1.00 0.00 C +ATOM 152 CG ARG A 10 -2.668 -11.004 -5.824 1.00 0.00 C +ATOM 153 CD ARG A 10 -2.268 -11.546 -4.469 1.00 0.00 C +ATOM 154 NE ARG A 10 -3.188 -11.025 -3.434 1.00 0.00 N +ATOM 155 CZ ARG A 10 -2.808 -10.477 -2.279 1.00 0.00 C +ATOM 156 NH1 ARG A 10 -1.593 -10.689 -1.807 1.00 0.00 N +ATOM 157 NH2 ARG A 10 -3.665 -9.736 -1.579 1.00 0.00 N +ATOM 158 H ARG A 10 -1.429 -8.706 -7.523 1.00 0.00 H +ATOM 159 HA ARG A 10 -4.170 -9.371 -7.353 1.00 0.00 H +ATOM 160 HB2 ARG A 10 -1.992 -9.084 -5.350 1.00 0.00 H +ATOM 161 HB3 ARG A 10 -3.635 -9.405 -4.856 1.00 0.00 H +ATOM 162 HG2 ARG A 10 -3.569 -11.491 -6.169 1.00 0.00 H +ATOM 163 HG3 ARG A 10 -1.861 -11.160 -6.524 1.00 0.00 H +ATOM 164 HD2 ARG A 10 -2.325 -12.622 -4.494 1.00 0.00 H +ATOM 165 HD3 ARG A 10 -1.263 -11.229 -4.237 1.00 0.00 H +ATOM 166 HE ARG A 10 -4.130 -11.003 -3.720 1.00 0.00 H +ATOM 167 HH11 ARG A 10 -0.935 -11.278 -2.289 1.00 0.00 H +ATOM 168 HH12 ARG A 10 -1.285 -10.263 -0.953 1.00 0.00 H +ATOM 169 HH21 ARG A 10 -4.614 -9.543 -1.878 1.00 0.00 H +ATOM 170 HH22 ARG A 10 -3.394 -9.326 -0.706 1.00 0.00 H +ATOM 171 N ALA A 11 -3.210 -6.612 -5.868 1.00 0.00 N +ATOM 172 CA ALA A 11 -3.629 -5.372 -5.253 1.00 0.00 C +ATOM 173 C ALA A 11 -4.484 -4.557 -6.200 1.00 0.00 C +ATOM 174 O ALA A 11 -5.410 -3.899 -5.778 1.00 0.00 O +ATOM 175 CB ALA A 11 -2.424 -4.570 -4.791 1.00 0.00 C +ATOM 176 H ALA A 11 -2.253 -6.794 -5.985 1.00 0.00 H +ATOM 177 HA ALA A 11 -4.222 -5.623 -4.385 1.00 0.00 H +ATOM 178 HB1 ALA A 11 -1.823 -4.301 -5.648 1.00 0.00 H +ATOM 179 HB2 ALA A 11 -1.833 -5.162 -4.107 1.00 0.00 H +ATOM 180 HB3 ALA A 11 -2.758 -3.674 -4.290 1.00 0.00 H +ATOM 181 N LEU A 12 -4.188 -4.646 -7.482 1.00 0.00 N +ATOM 182 CA LEU A 12 -4.929 -3.914 -8.486 1.00 0.00 C +ATOM 183 C LEU A 12 -6.372 -4.439 -8.587 1.00 0.00 C +ATOM 184 O LEU A 12 -7.312 -3.654 -8.697 1.00 0.00 O +ATOM 185 CB LEU A 12 -4.230 -4.006 -9.837 1.00 0.00 C +ATOM 186 CG LEU A 12 -4.712 -3.036 -10.923 1.00 0.00 C +ATOM 187 CD1 LEU A 12 -4.507 -1.588 -10.496 1.00 0.00 C +ATOM 188 CD2 LEU A 12 -3.994 -3.304 -12.231 1.00 0.00 C +ATOM 189 H LEU A 12 -3.427 -5.209 -7.748 1.00 0.00 H +ATOM 190 HA LEU A 12 -4.958 -2.881 -8.174 1.00 0.00 H +ATOM 191 HB2 LEU A 12 -3.165 -3.903 -9.696 1.00 0.00 H +ATOM 192 HB3 LEU A 12 -4.422 -5.005 -10.196 1.00 0.00 H +ATOM 193 HG LEU A 12 -5.769 -3.188 -11.080 1.00 0.00 H +ATOM 194 HD11 LEU A 12 -4.829 -0.935 -11.293 1.00 0.00 H +ATOM 195 HD12 LEU A 12 -3.462 -1.417 -10.288 1.00 0.00 H +ATOM 196 HD13 LEU A 12 -5.091 -1.382 -9.611 1.00 0.00 H +ATOM 197 HD21 LEU A 12 -4.208 -4.311 -12.554 1.00 0.00 H +ATOM 198 HD22 LEU A 12 -2.930 -3.178 -12.095 1.00 0.00 H +ATOM 199 HD23 LEU A 12 -4.347 -2.609 -12.977 1.00 0.00 H +ATOM 200 N LYS A 13 -6.547 -5.763 -8.515 1.00 0.00 N +ATOM 201 CA LYS A 13 -7.895 -6.357 -8.553 1.00 0.00 C +ATOM 202 C LYS A 13 -8.672 -5.936 -7.329 1.00 0.00 C +ATOM 203 O LYS A 13 -9.843 -5.567 -7.415 1.00 0.00 O +ATOM 204 CB LYS A 13 -7.878 -7.906 -8.639 1.00 0.00 C +ATOM 205 CG LYS A 13 -7.559 -8.512 -10.011 1.00 0.00 C +ATOM 206 CD LYS A 13 -6.177 -8.169 -10.485 1.00 0.00 C +ATOM 207 CE LYS A 13 -5.807 -8.848 -11.793 1.00 0.00 C +ATOM 208 NZ LYS A 13 -5.732 -10.315 -11.677 1.00 0.00 N +ATOM 209 H LYS A 13 -5.762 -6.344 -8.413 1.00 0.00 H +ATOM 210 HA LYS A 13 -8.397 -5.957 -9.421 1.00 0.00 H +ATOM 211 HB2 LYS A 13 -7.140 -8.273 -7.943 1.00 0.00 H +ATOM 212 HB3 LYS A 13 -8.847 -8.269 -8.326 1.00 0.00 H +ATOM 213 HG2 LYS A 13 -7.648 -9.586 -9.949 1.00 0.00 H +ATOM 214 HG3 LYS A 13 -8.279 -8.135 -10.722 1.00 0.00 H +ATOM 215 HD2 LYS A 13 -6.116 -7.099 -10.613 1.00 0.00 H +ATOM 216 HD3 LYS A 13 -5.478 -8.469 -9.716 1.00 0.00 H +ATOM 217 HE2 LYS A 13 -6.547 -8.602 -12.539 1.00 0.00 H +ATOM 218 HE3 LYS A 13 -4.843 -8.478 -12.108 1.00 0.00 H +ATOM 219 HZ1 LYS A 13 -5.473 -10.721 -12.597 1.00 0.00 H +ATOM 220 HZ2 LYS A 13 -6.654 -10.711 -11.402 1.00 0.00 H +ATOM 221 HZ3 LYS A 13 -5.021 -10.610 -10.979 1.00 0.00 H +ATOM 222 N GLU A 14 -8.000 -5.951 -6.199 1.00 0.00 N +ATOM 223 CA GLU A 14 -8.602 -5.577 -4.944 1.00 0.00 C +ATOM 224 C GLU A 14 -8.920 -4.078 -4.893 1.00 0.00 C +ATOM 225 O GLU A 14 -9.919 -3.671 -4.335 1.00 0.00 O +ATOM 226 CB GLU A 14 -7.782 -6.074 -3.758 1.00 0.00 C +ATOM 227 CG GLU A 14 -7.647 -7.591 -3.779 1.00 0.00 C +ATOM 228 CD GLU A 14 -7.137 -8.198 -2.496 1.00 0.00 C +ATOM 229 OE1 GLU A 14 -7.891 -8.235 -1.506 1.00 0.00 O +ATOM 230 OE2 GLU A 14 -6.008 -8.735 -2.472 1.00 0.00 O +ATOM 231 H GLU A 14 -7.061 -6.241 -6.214 1.00 0.00 H +ATOM 232 HA GLU A 14 -9.553 -6.089 -4.942 1.00 0.00 H +ATOM 233 HB2 GLU A 14 -6.800 -5.624 -3.791 1.00 0.00 H +ATOM 234 HB3 GLU A 14 -8.274 -5.785 -2.842 1.00 0.00 H +ATOM 235 HG2 GLU A 14 -8.607 -8.023 -4.017 1.00 0.00 H +ATOM 236 HG3 GLU A 14 -6.960 -7.843 -4.574 1.00 0.00 H +ATOM 237 N TRP A 15 -8.069 -3.286 -5.492 1.00 0.00 N +ATOM 238 CA TRP A 15 -8.264 -1.842 -5.639 1.00 0.00 C +ATOM 239 C TRP A 15 -9.555 -1.558 -6.448 1.00 0.00 C +ATOM 240 O TRP A 15 -10.315 -0.617 -6.155 1.00 0.00 O +ATOM 241 CB TRP A 15 -7.021 -1.283 -6.349 1.00 0.00 C +ATOM 242 CG TRP A 15 -7.046 0.161 -6.694 1.00 0.00 C +ATOM 243 CD1 TRP A 15 -7.233 0.692 -7.936 1.00 0.00 C +ATOM 244 CD2 TRP A 15 -6.858 1.259 -5.799 1.00 0.00 C +ATOM 245 NE1 TRP A 15 -7.170 2.065 -7.868 1.00 0.00 N +ATOM 246 CE2 TRP A 15 -6.943 2.436 -6.563 1.00 0.00 C +ATOM 247 CE3 TRP A 15 -6.626 1.359 -4.422 1.00 0.00 C +ATOM 248 CZ2 TRP A 15 -6.802 3.702 -5.998 1.00 0.00 C +ATOM 249 CZ3 TRP A 15 -6.486 2.611 -3.864 1.00 0.00 C +ATOM 250 CH2 TRP A 15 -6.575 3.766 -4.649 1.00 0.00 C +ATOM 251 H TRP A 15 -7.235 -3.675 -5.837 1.00 0.00 H +ATOM 252 HA TRP A 15 -8.351 -1.399 -4.658 1.00 0.00 H +ATOM 253 HB2 TRP A 15 -6.158 -1.440 -5.719 1.00 0.00 H +ATOM 254 HB3 TRP A 15 -6.882 -1.843 -7.262 1.00 0.00 H +ATOM 255 HD1 TRP A 15 -7.396 0.085 -8.818 1.00 0.00 H +ATOM 256 HE1 TRP A 15 -7.265 2.685 -8.625 1.00 0.00 H +ATOM 257 HE3 TRP A 15 -6.556 0.476 -3.803 1.00 0.00 H +ATOM 258 HZ2 TRP A 15 -6.866 4.604 -6.589 1.00 0.00 H +ATOM 259 HZ3 TRP A 15 -6.308 2.708 -2.803 1.00 0.00 H +ATOM 260 HH2 TRP A 15 -6.456 4.722 -4.161 1.00 0.00 H +ATOM 261 N ARG A 16 -9.798 -2.386 -7.448 1.00 0.00 N +ATOM 262 CA ARG A 16 -11.007 -2.294 -8.258 1.00 0.00 C +ATOM 263 C ARG A 16 -12.205 -2.797 -7.453 1.00 0.00 C +ATOM 264 O ARG A 16 -13.316 -2.276 -7.571 1.00 0.00 O +ATOM 265 CB ARG A 16 -10.850 -3.102 -9.544 1.00 0.00 C +ATOM 266 CG ARG A 16 -9.744 -2.598 -10.449 1.00 0.00 C +ATOM 267 CD ARG A 16 -9.538 -3.514 -11.636 1.00 0.00 C +ATOM 268 NE ARG A 16 -8.475 -3.029 -12.517 1.00 0.00 N +ATOM 269 CZ ARG A 16 -7.780 -3.771 -13.390 1.00 0.00 C +ATOM 270 NH1 ARG A 16 -8.011 -5.067 -13.504 1.00 0.00 N +ATOM 271 NH2 ARG A 16 -6.853 -3.196 -14.147 1.00 0.00 N +ATOM 272 H ARG A 16 -9.126 -3.075 -7.647 1.00 0.00 H +ATOM 273 HA ARG A 16 -11.162 -1.254 -8.501 1.00 0.00 H +ATOM 274 HB2 ARG A 16 -10.636 -4.128 -9.285 1.00 0.00 H +ATOM 275 HB3 ARG A 16 -11.781 -3.065 -10.090 1.00 0.00 H +ATOM 276 HG2 ARG A 16 -10.008 -1.613 -10.804 1.00 0.00 H +ATOM 277 HG3 ARG A 16 -8.826 -2.543 -9.883 1.00 0.00 H +ATOM 278 HD2 ARG A 16 -9.265 -4.489 -11.265 1.00 0.00 H +ATOM 279 HD3 ARG A 16 -10.461 -3.570 -12.192 1.00 0.00 H +ATOM 280 HE ARG A 16 -8.283 -2.065 -12.443 1.00 0.00 H +ATOM 281 HH11 ARG A 16 -8.705 -5.549 -12.966 1.00 0.00 H +ATOM 282 HH12 ARG A 16 -7.488 -5.646 -14.138 1.00 0.00 H +ATOM 283 HH21 ARG A 16 -6.663 -2.213 -14.070 1.00 0.00 H +ATOM 284 HH22 ARG A 16 -6.325 -3.715 -14.826 1.00 0.00 H +ATOM 285 N LYS A 17 -11.948 -3.802 -6.627 1.00 0.00 N +ATOM 286 CA LYS A 17 -12.924 -4.389 -5.719 1.00 0.00 C +ATOM 287 C LYS A 17 -13.370 -3.366 -4.667 1.00 0.00 C +ATOM 288 O LYS A 17 -14.513 -3.381 -4.215 1.00 0.00 O +ATOM 289 CB LYS A 17 -12.297 -5.613 -5.045 1.00 0.00 C +ATOM 290 CG LYS A 17 -13.150 -6.262 -3.985 1.00 0.00 C +ATOM 291 CD LYS A 17 -12.443 -7.441 -3.361 1.00 0.00 C +ATOM 292 CE LYS A 17 -13.215 -7.960 -2.171 1.00 0.00 C +ATOM 293 NZ LYS A 17 -14.567 -8.437 -2.530 1.00 0.00 N +ATOM 294 H LYS A 17 -11.045 -4.187 -6.650 1.00 0.00 H +ATOM 295 HA LYS A 17 -13.795 -4.710 -6.268 1.00 0.00 H +ATOM 296 HB2 LYS A 17 -12.075 -6.354 -5.797 1.00 0.00 H +ATOM 297 HB3 LYS A 17 -11.375 -5.293 -4.585 1.00 0.00 H +ATOM 298 HG2 LYS A 17 -13.362 -5.533 -3.218 1.00 0.00 H +ATOM 299 HG3 LYS A 17 -14.075 -6.596 -4.431 1.00 0.00 H +ATOM 300 HD2 LYS A 17 -12.352 -8.230 -4.093 1.00 0.00 H +ATOM 301 HD3 LYS A 17 -11.460 -7.131 -3.036 1.00 0.00 H +ATOM 302 HE2 LYS A 17 -12.666 -8.764 -1.709 1.00 0.00 H +ATOM 303 HE3 LYS A 17 -13.312 -7.130 -1.488 1.00 0.00 H +ATOM 304 HZ1 LYS A 17 -15.062 -8.744 -1.670 1.00 0.00 H +ATOM 305 HZ2 LYS A 17 -14.513 -9.238 -3.190 1.00 0.00 H +ATOM 306 HZ3 LYS A 17 -15.124 -7.684 -2.980 1.00 0.00 H +ATOM 307 N LEU A 18 -12.465 -2.496 -4.288 1.00 0.00 N +ATOM 308 CA LEU A 18 -12.738 -1.448 -3.322 1.00 0.00 C +ATOM 309 C LEU A 18 -13.765 -0.460 -3.817 1.00 0.00 C +ATOM 310 O LEU A 18 -13.870 -0.190 -5.024 1.00 0.00 O +ATOM 311 CB LEU A 18 -11.467 -0.697 -2.947 1.00 0.00 C +ATOM 312 CG LEU A 18 -10.857 -1.023 -1.591 1.00 0.00 C +ATOM 313 CD1 LEU A 18 -10.486 -2.487 -1.470 1.00 0.00 C +ATOM 314 CD2 LEU A 18 -9.666 -0.137 -1.343 1.00 0.00 C +ATOM 315 H LEU A 18 -11.564 -2.571 -4.671 1.00 0.00 H +ATOM 316 HA LEU A 18 -13.120 -1.919 -2.428 1.00 0.00 H +ATOM 317 HB2 LEU A 18 -10.724 -0.894 -3.704 1.00 0.00 H +ATOM 318 HB3 LEU A 18 -11.693 0.359 -2.967 1.00 0.00 H +ATOM 319 HG LEU A 18 -11.587 -0.807 -0.828 1.00 0.00 H +ATOM 320 HD11 LEU A 18 -10.051 -2.670 -0.498 1.00 0.00 H +ATOM 321 HD12 LEU A 18 -9.782 -2.749 -2.245 1.00 0.00 H +ATOM 322 HD13 LEU A 18 -11.386 -3.074 -1.577 1.00 0.00 H +ATOM 323 HD21 LEU A 18 -10.000 0.891 -1.356 1.00 0.00 H +ATOM 324 HD22 LEU A 18 -8.929 -0.290 -2.116 1.00 0.00 H +ATOM 325 HD23 LEU A 18 -9.244 -0.365 -0.376 1.00 0.00 H +ATOM 326 N GLY A 19 -14.525 0.057 -2.878 1.00 0.00 N +ATOM 327 CA GLY A 19 -15.500 1.074 -3.180 1.00 0.00 C +ATOM 328 C GLY A 19 -14.803 2.379 -3.480 1.00 0.00 C +ATOM 329 O GLY A 19 -13.741 2.654 -2.892 1.00 0.00 O +ATOM 330 H GLY A 19 -14.399 -0.259 -1.960 1.00 0.00 H +ATOM 331 HA2 GLY A 19 -16.079 0.765 -4.040 1.00 0.00 H +ATOM 332 HA3 GLY A 19 -16.154 1.210 -2.332 1.00 0.00 H +ATOM 333 N SER A 20 -15.392 3.168 -4.354 1.00 0.00 N +ATOM 334 CA SER A 20 -14.826 4.415 -4.846 1.00 0.00 C +ATOM 335 C SER A 20 -14.367 5.340 -3.724 1.00 0.00 C +ATOM 336 O SER A 20 -13.216 5.714 -3.665 1.00 0.00 O +ATOM 337 CB SER A 20 -15.858 5.096 -5.726 1.00 0.00 C +ATOM 338 OG SER A 20 -17.122 5.103 -5.078 1.00 0.00 O +ATOM 339 H SER A 20 -16.280 2.928 -4.696 1.00 0.00 H +ATOM 340 HA SER A 20 -13.974 4.170 -5.464 1.00 0.00 H +ATOM 341 HB2 SER A 20 -15.554 6.114 -5.918 1.00 0.00 H +ATOM 342 HB3 SER A 20 -15.947 4.559 -6.657 1.00 0.00 H +ATOM 343 HG SER A 20 -17.687 5.730 -5.543 1.00 0.00 H +ATOM 344 N THR A 21 -15.259 5.638 -2.825 1.00 0.00 N +ATOM 345 CA THR A 21 -14.995 6.529 -1.718 1.00 0.00 C +ATOM 346 C THR A 21 -13.833 6.013 -0.845 1.00 0.00 C +ATOM 347 O THR A 21 -12.952 6.779 -0.455 1.00 0.00 O +ATOM 348 CB THR A 21 -16.274 6.699 -0.881 1.00 0.00 C +ATOM 349 OG1 THR A 21 -17.347 7.071 -1.765 1.00 0.00 O +ATOM 350 CG2 THR A 21 -16.104 7.789 0.165 1.00 0.00 C +ATOM 351 H THR A 21 -16.150 5.246 -2.929 1.00 0.00 H +ATOM 352 HA THR A 21 -14.722 7.490 -2.127 1.00 0.00 H +ATOM 353 HB THR A 21 -16.502 5.761 -0.398 1.00 0.00 H +ATOM 354 HG1 THR A 21 -18.161 7.056 -1.246 1.00 0.00 H +ATOM 355 HG21 THR A 21 -15.288 7.530 0.823 1.00 0.00 H +ATOM 356 HG22 THR A 21 -17.012 7.887 0.740 1.00 0.00 H +ATOM 357 HG23 THR A 21 -15.885 8.726 -0.325 1.00 0.00 H +ATOM 358 N VAL A 22 -13.797 4.709 -0.619 1.00 0.00 N +ATOM 359 CA VAL A 22 -12.770 4.111 0.215 1.00 0.00 C +ATOM 360 C VAL A 22 -11.419 4.215 -0.474 1.00 0.00 C +ATOM 361 O VAL A 22 -10.427 4.650 0.128 1.00 0.00 O +ATOM 362 CB VAL A 22 -13.076 2.625 0.524 1.00 0.00 C +ATOM 363 CG1 VAL A 22 -11.981 2.018 1.389 1.00 0.00 C +ATOM 364 CG2 VAL A 22 -14.427 2.485 1.206 1.00 0.00 C +ATOM 365 H VAL A 22 -14.465 4.136 -1.052 1.00 0.00 H +ATOM 366 HA VAL A 22 -12.726 4.662 1.144 1.00 0.00 H +ATOM 367 HB VAL A 22 -13.107 2.086 -0.413 1.00 0.00 H +ATOM 368 HG11 VAL A 22 -11.916 2.559 2.322 1.00 0.00 H +ATOM 369 HG12 VAL A 22 -11.036 2.082 0.872 1.00 0.00 H +ATOM 370 HG13 VAL A 22 -12.213 0.983 1.592 1.00 0.00 H +ATOM 371 HG21 VAL A 22 -14.624 1.441 1.404 1.00 0.00 H +ATOM 372 HG22 VAL A 22 -15.197 2.887 0.565 1.00 0.00 H +ATOM 373 HG23 VAL A 22 -14.414 3.031 2.137 1.00 0.00 H +ATOM 374 N ARG A 23 -11.395 3.860 -1.744 1.00 0.00 N +ATOM 375 CA ARG A 23 -10.175 3.924 -2.499 1.00 0.00 C +ATOM 376 C ARG A 23 -9.717 5.354 -2.709 1.00 0.00 C +ATOM 377 O ARG A 23 -8.537 5.598 -2.741 1.00 0.00 O +ATOM 378 CB ARG A 23 -10.215 3.156 -3.813 1.00 0.00 C +ATOM 379 CG ARG A 23 -11.308 3.559 -4.760 1.00 0.00 C +ATOM 380 CD ARG A 23 -11.023 3.023 -6.135 1.00 0.00 C +ATOM 381 NE ARG A 23 -12.057 3.387 -7.105 1.00 0.00 N +ATOM 382 CZ ARG A 23 -12.638 2.537 -7.964 1.00 0.00 C +ATOM 383 NH1 ARG A 23 -12.377 1.221 -7.905 1.00 0.00 N +ATOM 384 NH2 ARG A 23 -13.490 3.000 -8.870 1.00 0.00 N +ATOM 385 H ARG A 23 -12.229 3.555 -2.167 1.00 0.00 H +ATOM 386 HA ARG A 23 -9.432 3.467 -1.861 1.00 0.00 H +ATOM 387 HB2 ARG A 23 -9.272 3.300 -4.320 1.00 0.00 H +ATOM 388 HB3 ARG A 23 -10.325 2.103 -3.596 1.00 0.00 H +ATOM 389 HG2 ARG A 23 -12.217 3.099 -4.396 1.00 0.00 H +ATOM 390 HG3 ARG A 23 -11.451 4.631 -4.768 1.00 0.00 H +ATOM 391 HD2 ARG A 23 -10.077 3.447 -6.442 1.00 0.00 H +ATOM 392 HD3 ARG A 23 -10.937 1.947 -6.081 1.00 0.00 H +ATOM 393 HE ARG A 23 -12.287 4.347 -7.124 1.00 0.00 H +ATOM 394 HH11 ARG A 23 -11.749 0.824 -7.231 1.00 0.00 H +ATOM 395 HH12 ARG A 23 -12.815 0.580 -8.540 1.00 0.00 H +ATOM 396 HH21 ARG A 23 -13.715 3.979 -8.940 1.00 0.00 H +ATOM 397 HH22 ARG A 23 -13.946 2.396 -9.527 1.00 0.00 H +ATOM 398 N GLU A 24 -10.655 6.290 -2.875 1.00 0.00 N +ATOM 399 CA GLU A 24 -10.301 7.696 -3.018 1.00 0.00 C +ATOM 400 C GLU A 24 -9.534 8.192 -1.828 1.00 0.00 C +ATOM 401 O GLU A 24 -8.516 8.847 -1.993 1.00 0.00 O +ATOM 402 CB GLU A 24 -11.494 8.602 -3.236 1.00 0.00 C +ATOM 403 CG GLU A 24 -12.184 8.437 -4.559 1.00 0.00 C +ATOM 404 CD GLU A 24 -13.177 9.527 -4.784 1.00 0.00 C +ATOM 405 OE1 GLU A 24 -14.152 9.637 -4.015 1.00 0.00 O +ATOM 406 OE2 GLU A 24 -12.973 10.341 -5.712 1.00 0.00 O +ATOM 407 H GLU A 24 -11.603 6.029 -2.919 1.00 0.00 H +ATOM 408 HA GLU A 24 -9.653 7.768 -3.879 1.00 0.00 H +ATOM 409 HB2 GLU A 24 -12.218 8.388 -2.463 1.00 0.00 H +ATOM 410 HB3 GLU A 24 -11.175 9.629 -3.139 1.00 0.00 H +ATOM 411 HG2 GLU A 24 -11.447 8.467 -5.347 1.00 0.00 H +ATOM 412 HG3 GLU A 24 -12.698 7.488 -4.573 1.00 0.00 H +ATOM 413 N GLN A 25 -9.998 7.866 -0.631 1.00 0.00 N +ATOM 414 CA GLN A 25 -9.298 8.305 0.562 1.00 0.00 C +ATOM 415 C GLN A 25 -7.951 7.629 0.703 1.00 0.00 C +ATOM 416 O GLN A 25 -6.989 8.250 1.148 1.00 0.00 O +ATOM 417 CB GLN A 25 -10.135 8.222 1.842 1.00 0.00 C +ATOM 418 CG GLN A 25 -11.053 9.425 2.068 1.00 0.00 C +ATOM 419 CD GLN A 25 -12.188 9.552 1.078 1.00 0.00 C +ATOM 420 OE1 GLN A 25 -12.057 10.170 0.012 1.00 0.00 O +ATOM 421 NE2 GLN A 25 -13.314 9.010 1.431 1.00 0.00 N +ATOM 422 H GLN A 25 -10.817 7.324 -0.554 1.00 0.00 H +ATOM 423 HA GLN A 25 -9.071 9.344 0.368 1.00 0.00 H +ATOM 424 HB2 GLN A 25 -10.750 7.337 1.796 1.00 0.00 H +ATOM 425 HB3 GLN A 25 -9.468 8.144 2.687 1.00 0.00 H +ATOM 426 HG2 GLN A 25 -11.484 9.354 3.056 1.00 0.00 H +ATOM 427 HG3 GLN A 25 -10.450 10.320 2.015 1.00 0.00 H +ATOM 428 HE21 GLN A 25 -13.372 8.550 2.296 1.00 0.00 H +ATOM 429 HE22 GLN A 25 -14.074 9.102 0.823 1.00 0.00 H +ATOM 430 N LEU A 26 -7.870 6.374 0.296 1.00 0.00 N +ATOM 431 CA LEU A 26 -6.593 5.678 0.272 1.00 0.00 C +ATOM 432 C LEU A 26 -5.661 6.323 -0.746 1.00 0.00 C +ATOM 433 O LEU A 26 -4.494 6.516 -0.471 1.00 0.00 O +ATOM 434 CB LEU A 26 -6.768 4.186 -0.014 1.00 0.00 C +ATOM 435 CG LEU A 26 -7.410 3.355 1.108 1.00 0.00 C +ATOM 436 CD1 LEU A 26 -7.623 1.931 0.653 1.00 0.00 C +ATOM 437 CD2 LEU A 26 -6.528 3.367 2.352 1.00 0.00 C +ATOM 438 H LEU A 26 -8.689 5.906 0.018 1.00 0.00 H +ATOM 439 HA LEU A 26 -6.147 5.804 1.247 1.00 0.00 H +ATOM 440 HB2 LEU A 26 -7.378 4.103 -0.902 1.00 0.00 H +ATOM 441 HB3 LEU A 26 -5.795 3.771 -0.232 1.00 0.00 H +ATOM 442 HG LEU A 26 -8.371 3.773 1.370 1.00 0.00 H +ATOM 443 HD11 LEU A 26 -6.673 1.492 0.390 1.00 0.00 H +ATOM 444 HD12 LEU A 26 -8.271 1.922 -0.208 1.00 0.00 H +ATOM 445 HD13 LEU A 26 -8.074 1.360 1.452 1.00 0.00 H +ATOM 446 HD21 LEU A 26 -6.993 2.774 3.125 1.00 0.00 H +ATOM 447 HD22 LEU A 26 -6.397 4.378 2.706 1.00 0.00 H +ATOM 448 HD23 LEU A 26 -5.564 2.943 2.112 1.00 0.00 H +ATOM 449 N LYS A 27 -6.204 6.677 -1.903 1.00 0.00 N +ATOM 450 CA LYS A 27 -5.471 7.379 -2.948 1.00 0.00 C +ATOM 451 C LYS A 27 -4.945 8.711 -2.412 1.00 0.00 C +ATOM 452 O LYS A 27 -3.812 9.090 -2.679 1.00 0.00 O +ATOM 453 CB LYS A 27 -6.388 7.648 -4.137 1.00 0.00 C +ATOM 454 CG LYS A 27 -5.718 8.387 -5.287 1.00 0.00 C +ATOM 455 CD LYS A 27 -6.727 8.870 -6.318 1.00 0.00 C +ATOM 456 CE LYS A 27 -7.627 9.962 -5.741 1.00 0.00 C +ATOM 457 NZ LYS A 27 -8.598 10.463 -6.726 1.00 0.00 N +ATOM 458 H LYS A 27 -7.140 6.424 -2.075 1.00 0.00 H +ATOM 459 HA LYS A 27 -4.644 6.763 -3.269 1.00 0.00 H +ATOM 460 HB2 LYS A 27 -6.758 6.705 -4.510 1.00 0.00 H +ATOM 461 HB3 LYS A 27 -7.223 8.229 -3.779 1.00 0.00 H +ATOM 462 HG2 LYS A 27 -5.203 9.244 -4.877 1.00 0.00 H +ATOM 463 HG3 LYS A 27 -5.006 7.728 -5.762 1.00 0.00 H +ATOM 464 HD2 LYS A 27 -6.199 9.267 -7.173 1.00 0.00 H +ATOM 465 HD3 LYS A 27 -7.340 8.035 -6.626 1.00 0.00 H +ATOM 466 HE2 LYS A 27 -8.169 9.581 -4.890 1.00 0.00 H +ATOM 467 HE3 LYS A 27 -6.993 10.779 -5.426 1.00 0.00 H +ATOM 468 HZ1 LYS A 27 -9.207 11.197 -6.313 1.00 0.00 H +ATOM 469 HZ2 LYS A 27 -9.205 9.712 -7.108 1.00 0.00 H +ATOM 470 HZ3 LYS A 27 -8.106 10.891 -7.535 1.00 0.00 H +ATOM 471 N LYS A 28 -5.794 9.418 -1.667 1.00 0.00 N +ATOM 472 CA LYS A 28 -5.412 10.676 -1.026 1.00 0.00 C +ATOM 473 C LYS A 28 -4.245 10.450 -0.081 1.00 0.00 C +ATOM 474 O LYS A 28 -3.284 11.222 -0.067 1.00 0.00 O +ATOM 475 CB LYS A 28 -6.594 11.296 -0.277 1.00 0.00 C +ATOM 476 CG LYS A 28 -7.739 11.683 -1.169 1.00 0.00 C +ATOM 477 CD LYS A 28 -8.890 12.247 -0.376 1.00 0.00 C +ATOM 478 CE LYS A 28 -10.089 12.495 -1.264 1.00 0.00 C +ATOM 479 NZ LYS A 28 -9.807 13.459 -2.359 1.00 0.00 N +ATOM 480 H LYS A 28 -6.712 9.079 -1.571 1.00 0.00 H +ATOM 481 HA LYS A 28 -5.101 11.349 -1.811 1.00 0.00 H +ATOM 482 HB2 LYS A 28 -6.974 10.583 0.439 1.00 0.00 H +ATOM 483 HB3 LYS A 28 -6.265 12.181 0.245 1.00 0.00 H +ATOM 484 HG2 LYS A 28 -7.394 12.439 -1.859 1.00 0.00 H +ATOM 485 HG3 LYS A 28 -8.073 10.814 -1.716 1.00 0.00 H +ATOM 486 HD2 LYS A 28 -9.164 11.547 0.400 1.00 0.00 H +ATOM 487 HD3 LYS A 28 -8.585 13.181 0.072 1.00 0.00 H +ATOM 488 HE2 LYS A 28 -10.370 11.547 -1.698 1.00 0.00 H +ATOM 489 HE3 LYS A 28 -10.898 12.865 -0.652 1.00 0.00 H +ATOM 490 HZ1 LYS A 28 -9.501 14.378 -1.982 1.00 0.00 H +ATOM 491 HZ2 LYS A 28 -10.662 13.616 -2.930 1.00 0.00 H +ATOM 492 HZ3 LYS A 28 -9.067 13.100 -2.994 1.00 0.00 H +ATOM 493 N LYS A 29 -4.317 9.362 0.672 1.00 0.00 N +ATOM 494 CA LYS A 29 -3.251 8.975 1.576 1.00 0.00 C +ATOM 495 C LYS A 29 -1.982 8.640 0.815 1.00 0.00 C +ATOM 496 O LYS A 29 -0.893 9.021 1.222 1.00 0.00 O +ATOM 497 CB LYS A 29 -3.666 7.800 2.460 1.00 0.00 C +ATOM 498 CG LYS A 29 -4.787 8.111 3.436 1.00 0.00 C +ATOM 499 CD LYS A 29 -4.397 9.257 4.343 1.00 0.00 C +ATOM 500 CE LYS A 29 -5.411 9.485 5.433 1.00 0.00 C +ATOM 501 NZ LYS A 29 -5.038 10.643 6.271 1.00 0.00 N +ATOM 502 H LYS A 29 -5.128 8.810 0.618 1.00 0.00 H +ATOM 503 HA LYS A 29 -3.031 9.818 2.209 1.00 0.00 H +ATOM 504 HB2 LYS A 29 -3.983 6.980 1.833 1.00 0.00 H +ATOM 505 HB3 LYS A 29 -2.804 7.495 3.032 1.00 0.00 H +ATOM 506 HG2 LYS A 29 -5.672 8.384 2.880 1.00 0.00 H +ATOM 507 HG3 LYS A 29 -4.988 7.236 4.036 1.00 0.00 H +ATOM 508 HD2 LYS A 29 -3.443 9.029 4.794 1.00 0.00 H +ATOM 509 HD3 LYS A 29 -4.307 10.159 3.754 1.00 0.00 H +ATOM 510 HE2 LYS A 29 -6.381 9.652 4.991 1.00 0.00 H +ATOM 511 HE3 LYS A 29 -5.440 8.599 6.049 1.00 0.00 H +ATOM 512 HZ1 LYS A 29 -4.093 10.518 6.682 1.00 0.00 H +ATOM 513 HZ2 LYS A 29 -5.724 10.783 7.040 1.00 0.00 H +ATOM 514 HZ3 LYS A 29 -5.031 11.509 5.697 1.00 0.00 H +ATOM 515 N LEU A 30 -2.136 7.953 -0.290 1.00 0.00 N +ATOM 516 CA LEU A 30 -1.022 7.592 -1.131 1.00 0.00 C +ATOM 517 C LEU A 30 -0.363 8.824 -1.715 1.00 0.00 C +ATOM 518 O LEU A 30 0.845 8.979 -1.637 1.00 0.00 O +ATOM 519 CB LEU A 30 -1.469 6.657 -2.259 1.00 0.00 C +ATOM 520 CG LEU A 30 -2.071 5.324 -1.821 1.00 0.00 C +ATOM 521 CD1 LEU A 30 -2.502 4.508 -3.023 1.00 0.00 C +ATOM 522 CD2 LEU A 30 -1.092 4.551 -0.954 1.00 0.00 C +ATOM 523 H LEU A 30 -3.041 7.652 -0.532 1.00 0.00 H +ATOM 524 HA LEU A 30 -0.303 7.069 -0.519 1.00 0.00 H +ATOM 525 HB2 LEU A 30 -2.202 7.181 -2.854 1.00 0.00 H +ATOM 526 HB3 LEU A 30 -0.608 6.450 -2.880 1.00 0.00 H +ATOM 527 HG LEU A 30 -2.954 5.527 -1.235 1.00 0.00 H +ATOM 528 HD11 LEU A 30 -3.261 5.048 -3.567 1.00 0.00 H +ATOM 529 HD12 LEU A 30 -2.893 3.557 -2.694 1.00 0.00 H +ATOM 530 HD13 LEU A 30 -1.649 4.349 -3.664 1.00 0.00 H +ATOM 531 HD21 LEU A 30 -1.520 3.596 -0.689 1.00 0.00 H +ATOM 532 HD22 LEU A 30 -0.915 5.123 -0.055 1.00 0.00 H +ATOM 533 HD23 LEU A 30 -0.159 4.408 -1.477 1.00 0.00 H +ATOM 534 N VAL A 31 -1.164 9.729 -2.244 1.00 0.00 N +ATOM 535 CA VAL A 31 -0.630 10.911 -2.883 1.00 0.00 C +ATOM 536 C VAL A 31 0.058 11.846 -1.864 1.00 0.00 C +ATOM 537 O VAL A 31 1.086 12.466 -2.184 1.00 0.00 O +ATOM 538 CB VAL A 31 -1.690 11.660 -3.770 1.00 0.00 C +ATOM 539 CG1 VAL A 31 -2.763 12.355 -2.959 1.00 0.00 C +ATOM 540 CG2 VAL A 31 -1.034 12.620 -4.740 1.00 0.00 C +ATOM 541 H VAL A 31 -2.136 9.578 -2.213 1.00 0.00 H +ATOM 542 HA VAL A 31 0.158 10.546 -3.526 1.00 0.00 H +ATOM 543 HB VAL A 31 -2.193 10.901 -4.353 1.00 0.00 H +ATOM 544 HG11 VAL A 31 -2.313 13.126 -2.351 1.00 0.00 H +ATOM 545 HG12 VAL A 31 -3.227 11.627 -2.312 1.00 0.00 H +ATOM 546 HG13 VAL A 31 -3.500 12.790 -3.618 1.00 0.00 H +ATOM 547 HG21 VAL A 31 -0.489 13.377 -4.192 1.00 0.00 H +ATOM 548 HG22 VAL A 31 -1.804 13.081 -5.340 1.00 0.00 H +ATOM 549 HG23 VAL A 31 -0.358 12.075 -5.381 1.00 0.00 H +ATOM 550 N GLU A 32 -0.490 11.947 -0.639 1.00 0.00 N +ATOM 551 CA GLU A 32 0.176 12.730 0.385 1.00 0.00 C +ATOM 552 C GLU A 32 1.471 12.047 0.839 1.00 0.00 C +ATOM 553 O GLU A 32 2.526 12.673 0.861 1.00 0.00 O +ATOM 554 CB GLU A 32 -0.733 13.090 1.589 1.00 0.00 C +ATOM 555 CG GLU A 32 -1.293 11.909 2.362 1.00 0.00 C +ATOM 556 CD GLU A 32 -2.036 12.311 3.613 1.00 0.00 C +ATOM 557 OE1 GLU A 32 -3.166 12.831 3.516 1.00 0.00 O +ATOM 558 OE2 GLU A 32 -1.504 12.100 4.730 1.00 0.00 O +ATOM 559 H GLU A 32 -1.340 11.498 -0.432 1.00 0.00 H +ATOM 560 HA GLU A 32 0.472 13.641 -0.115 1.00 0.00 H +ATOM 561 HB2 GLU A 32 -0.176 13.706 2.279 1.00 0.00 H +ATOM 562 HB3 GLU A 32 -1.565 13.663 1.205 1.00 0.00 H +ATOM 563 HG2 GLU A 32 -1.975 11.389 1.708 1.00 0.00 H +ATOM 564 HG3 GLU A 32 -0.480 11.251 2.629 1.00 0.00 H +ATOM 565 N VAL A 33 1.395 10.738 1.083 1.00 0.00 N +ATOM 566 CA VAL A 33 2.501 9.962 1.626 1.00 0.00 C +ATOM 567 C VAL A 33 3.722 9.952 0.694 1.00 0.00 C +ATOM 568 O VAL A 33 4.831 9.872 1.156 1.00 0.00 O +ATOM 569 CB VAL A 33 2.100 8.511 2.064 1.00 0.00 C +ATOM 570 CG1 VAL A 33 2.061 7.524 0.905 1.00 0.00 C +ATOM 571 CG2 VAL A 33 2.986 8.017 3.194 1.00 0.00 C +ATOM 572 H VAL A 33 0.550 10.263 0.906 1.00 0.00 H +ATOM 573 HA VAL A 33 2.811 10.507 2.509 1.00 0.00 H +ATOM 574 HB VAL A 33 1.091 8.574 2.442 1.00 0.00 H +ATOM 575 HG11 VAL A 33 3.051 7.438 0.480 1.00 0.00 H +ATOM 576 HG12 VAL A 33 1.390 7.897 0.148 1.00 0.00 H +ATOM 577 HG13 VAL A 33 1.728 6.557 1.250 1.00 0.00 H +ATOM 578 HG21 VAL A 33 2.846 8.636 4.067 1.00 0.00 H +ATOM 579 HG22 VAL A 33 4.013 8.094 2.874 1.00 0.00 H +ATOM 580 HG23 VAL A 33 2.746 6.989 3.426 1.00 0.00 H +ATOM 581 N LEU A 34 3.491 10.059 -0.618 1.00 0.00 N +ATOM 582 CA LEU A 34 4.561 10.021 -1.642 1.00 0.00 C +ATOM 583 C LEU A 34 5.688 11.036 -1.386 1.00 0.00 C +ATOM 584 O LEU A 34 6.803 10.839 -1.865 1.00 0.00 O +ATOM 585 CB LEU A 34 3.999 10.241 -3.058 1.00 0.00 C +ATOM 586 CG LEU A 34 3.067 9.158 -3.609 1.00 0.00 C +ATOM 587 CD1 LEU A 34 2.558 9.545 -4.987 1.00 0.00 C +ATOM 588 CD2 LEU A 34 3.771 7.809 -3.661 1.00 0.00 C +ATOM 589 H LEU A 34 2.559 10.137 -0.914 1.00 0.00 H +ATOM 590 HA LEU A 34 4.996 9.035 -1.605 1.00 0.00 H +ATOM 591 HB2 LEU A 34 3.459 11.175 -3.058 1.00 0.00 H +ATOM 592 HB3 LEU A 34 4.837 10.338 -3.733 1.00 0.00 H +ATOM 593 HG LEU A 34 2.211 9.071 -2.956 1.00 0.00 H +ATOM 594 HD11 LEU A 34 2.023 10.480 -4.928 1.00 0.00 H +ATOM 595 HD12 LEU A 34 1.895 8.775 -5.357 1.00 0.00 H +ATOM 596 HD13 LEU A 34 3.393 9.651 -5.664 1.00 0.00 H +ATOM 597 HD21 LEU A 34 3.104 7.073 -4.083 1.00 0.00 H +ATOM 598 HD22 LEU A 34 4.042 7.503 -2.661 1.00 0.00 H +ATOM 599 HD23 LEU A 34 4.659 7.882 -4.270 1.00 0.00 H +ATOM 600 N GLU A 35 5.404 12.124 -0.669 1.00 0.00 N +ATOM 601 CA GLU A 35 6.449 13.103 -0.349 1.00 0.00 C +ATOM 602 C GLU A 35 7.479 12.512 0.628 1.00 0.00 C +ATOM 603 O GLU A 35 8.660 12.869 0.603 1.00 0.00 O +ATOM 604 CB GLU A 35 5.854 14.379 0.252 1.00 0.00 C +ATOM 605 CG GLU A 35 5.069 14.151 1.528 1.00 0.00 C +ATOM 606 CD GLU A 35 4.539 15.411 2.120 1.00 0.00 C +ATOM 607 OE1 GLU A 35 3.846 16.174 1.414 1.00 0.00 O +ATOM 608 OE2 GLU A 35 4.807 15.683 3.304 1.00 0.00 O +ATOM 609 H GLU A 35 4.490 12.256 -0.335 1.00 0.00 H +ATOM 610 HA GLU A 35 6.952 13.350 -1.271 1.00 0.00 H +ATOM 611 HB2 GLU A 35 6.656 15.067 0.472 1.00 0.00 H +ATOM 612 HB3 GLU A 35 5.196 14.831 -0.477 1.00 0.00 H +ATOM 613 HG2 GLU A 35 4.236 13.499 1.314 1.00 0.00 H +ATOM 614 HG3 GLU A 35 5.717 13.675 2.250 1.00 0.00 H +ATOM 615 N SER A 36 7.023 11.621 1.484 1.00 0.00 N +ATOM 616 CA SER A 36 7.849 10.983 2.481 1.00 0.00 C +ATOM 617 C SER A 36 7.217 9.662 2.918 1.00 0.00 C +ATOM 618 O SER A 36 6.566 9.597 3.933 1.00 0.00 O +ATOM 619 CB SER A 36 8.062 11.900 3.705 1.00 0.00 C +ATOM 620 OG SER A 36 8.738 13.107 3.342 1.00 0.00 O +ATOM 621 H SER A 36 6.082 11.337 1.432 1.00 0.00 H +ATOM 622 HA SER A 36 8.808 10.769 2.035 1.00 0.00 H +ATOM 623 HB2 SER A 36 7.101 12.154 4.129 1.00 0.00 H +ATOM 624 HB3 SER A 36 8.650 11.376 4.443 1.00 0.00 H +ATOM 625 HG SER A 36 8.817 13.090 2.375 1.00 0.00 H +ATOM 626 N PRO A 37 7.337 8.598 2.110 1.00 0.00 N +ATOM 627 CA PRO A 37 6.766 7.298 2.459 1.00 0.00 C +ATOM 628 C PRO A 37 7.654 6.523 3.424 1.00 0.00 C +ATOM 629 O PRO A 37 7.315 5.447 3.862 1.00 0.00 O +ATOM 630 CB PRO A 37 6.670 6.587 1.113 1.00 0.00 C +ATOM 631 CG PRO A 37 7.798 7.149 0.320 1.00 0.00 C +ATOM 632 CD PRO A 37 7.951 8.583 0.765 1.00 0.00 C +ATOM 633 HA PRO A 37 5.786 7.394 2.899 1.00 0.00 H +ATOM 634 HB2 PRO A 37 6.768 5.521 1.255 1.00 0.00 H +ATOM 635 HB3 PRO A 37 5.718 6.807 0.652 1.00 0.00 H +ATOM 636 HG2 PRO A 37 8.702 6.596 0.528 1.00 0.00 H +ATOM 637 HG3 PRO A 37 7.568 7.106 -0.735 1.00 0.00 H +ATOM 638 HD2 PRO A 37 8.993 8.865 0.808 1.00 0.00 H +ATOM 639 HD3 PRO A 37 7.404 9.233 0.096 1.00 0.00 H +ATOM 640 N ARG A 38 8.765 7.119 3.784 1.00 0.00 N +ATOM 641 CA ARG A 38 9.746 6.495 4.658 1.00 0.00 C +ATOM 642 C ARG A 38 9.447 6.739 6.150 1.00 0.00 C +ATOM 643 O ARG A 38 10.342 6.651 6.996 1.00 0.00 O +ATOM 644 CB ARG A 38 11.175 6.936 4.249 1.00 0.00 C +ATOM 645 CG ARG A 38 11.417 8.455 4.100 1.00 0.00 C +ATOM 646 CD ARG A 38 11.414 9.209 5.427 1.00 0.00 C +ATOM 647 NE ARG A 38 12.449 8.721 6.355 1.00 0.00 N +ATOM 648 CZ ARG A 38 12.782 9.305 7.513 1.00 0.00 C +ATOM 649 NH1 ARG A 38 12.200 10.434 7.886 1.00 0.00 N +ATOM 650 NH2 ARG A 38 13.701 8.756 8.286 1.00 0.00 N +ATOM 651 H ARG A 38 8.906 8.025 3.442 1.00 0.00 H +ATOM 652 HA ARG A 38 9.664 5.432 4.489 1.00 0.00 H +ATOM 653 HB2 ARG A 38 11.859 6.577 5.002 1.00 0.00 H +ATOM 654 HB3 ARG A 38 11.422 6.459 3.312 1.00 0.00 H +ATOM 655 HG2 ARG A 38 12.368 8.614 3.617 1.00 0.00 H +ATOM 656 HG3 ARG A 38 10.641 8.858 3.467 1.00 0.00 H +ATOM 657 HD2 ARG A 38 11.582 10.256 5.233 1.00 0.00 H +ATOM 658 HD3 ARG A 38 10.445 9.078 5.887 1.00 0.00 H +ATOM 659 HE ARG A 38 12.904 7.892 6.087 1.00 0.00 H +ATOM 660 HH11 ARG A 38 11.496 10.870 7.321 1.00 0.00 H +ATOM 661 HH12 ARG A 38 12.445 10.922 8.726 1.00 0.00 H +ATOM 662 HH21 ARG A 38 14.171 7.902 8.040 1.00 0.00 H +ATOM 663 HH22 ARG A 38 13.978 9.163 9.160 1.00 0.00 H +ATOM 664 N ILE A 39 8.181 6.929 6.461 1.00 0.00 N +ATOM 665 CA ILE A 39 7.753 7.247 7.818 1.00 0.00 C +ATOM 666 C ILE A 39 7.661 5.959 8.624 1.00 0.00 C +ATOM 667 O ILE A 39 6.712 5.174 8.478 1.00 0.00 O +ATOM 668 CB ILE A 39 6.371 7.983 7.817 1.00 0.00 C +ATOM 669 CG1 ILE A 39 6.483 9.295 7.037 1.00 0.00 C +ATOM 670 CG2 ILE A 39 5.878 8.251 9.244 1.00 0.00 C +ATOM 671 CD1 ILE A 39 5.172 10.037 6.861 1.00 0.00 C +ATOM 672 H ILE A 39 7.516 6.804 5.752 1.00 0.00 H +ATOM 673 HA ILE A 39 8.498 7.889 8.263 1.00 0.00 H +ATOM 674 HB ILE A 39 5.652 7.347 7.324 1.00 0.00 H +ATOM 675 HG12 ILE A 39 7.154 9.955 7.567 1.00 0.00 H +ATOM 676 HG13 ILE A 39 6.887 9.091 6.056 1.00 0.00 H +ATOM 677 HG21 ILE A 39 6.580 8.896 9.749 1.00 0.00 H +ATOM 678 HG22 ILE A 39 5.801 7.316 9.777 1.00 0.00 H +ATOM 679 HG23 ILE A 39 4.909 8.729 9.207 1.00 0.00 H +ATOM 680 HD11 ILE A 39 4.767 10.297 7.827 1.00 0.00 H +ATOM 681 HD12 ILE A 39 4.477 9.404 6.330 1.00 0.00 H +ATOM 682 HD13 ILE A 39 5.354 10.933 6.286 1.00 0.00 H +ATOM 683 N GLU A 40 8.656 5.750 9.469 1.00 0.00 N +ATOM 684 CA GLU A 40 8.793 4.528 10.231 1.00 0.00 C +ATOM 685 C GLU A 40 7.687 4.311 11.260 1.00 0.00 C +ATOM 686 O GLU A 40 7.497 3.202 11.742 1.00 0.00 O +ATOM 687 CB GLU A 40 10.192 4.344 10.823 1.00 0.00 C +ATOM 688 CG GLU A 40 10.664 5.433 11.752 1.00 0.00 C +ATOM 689 CD GLU A 40 12.040 5.144 12.272 1.00 0.00 C +ATOM 690 OE1 GLU A 40 13.026 5.484 11.592 1.00 0.00 O +ATOM 691 OE2 GLU A 40 12.174 4.560 13.369 1.00 0.00 O +ATOM 692 H GLU A 40 9.318 6.462 9.591 1.00 0.00 H +ATOM 693 HA GLU A 40 8.651 3.759 9.486 1.00 0.00 H +ATOM 694 HB2 GLU A 40 10.210 3.418 11.376 1.00 0.00 H +ATOM 695 HB3 GLU A 40 10.896 4.273 10.007 1.00 0.00 H +ATOM 696 HG2 GLU A 40 10.683 6.370 11.215 1.00 0.00 H +ATOM 697 HG3 GLU A 40 9.982 5.506 12.588 1.00 0.00 H +ATOM 698 N ALA A 41 6.939 5.351 11.573 1.00 0.00 N +ATOM 699 CA ALA A 41 5.798 5.220 12.472 1.00 0.00 C +ATOM 700 C ALA A 41 4.725 4.318 11.833 1.00 0.00 C +ATOM 701 O ALA A 41 3.964 3.637 12.528 1.00 0.00 O +ATOM 702 CB ALA A 41 5.220 6.589 12.802 1.00 0.00 C +ATOM 703 H ALA A 41 7.188 6.232 11.215 1.00 0.00 H +ATOM 704 HA ALA A 41 6.149 4.754 13.382 1.00 0.00 H +ATOM 705 HB1 ALA A 41 5.988 7.206 13.245 1.00 0.00 H +ATOM 706 HB2 ALA A 41 4.401 6.477 13.497 1.00 0.00 H +ATOM 707 HB3 ALA A 41 4.861 7.057 11.897 1.00 0.00 H +ATOM 708 N ASN A 42 4.716 4.274 10.509 1.00 0.00 N +ATOM 709 CA ASN A 42 3.769 3.443 9.759 1.00 0.00 C +ATOM 710 C ASN A 42 4.452 2.198 9.219 1.00 0.00 C +ATOM 711 O ASN A 42 3.859 1.427 8.466 1.00 0.00 O +ATOM 712 CB ASN A 42 3.121 4.233 8.601 1.00 0.00 C +ATOM 713 CG ASN A 42 2.164 5.315 9.070 1.00 0.00 C +ATOM 714 OD1 ASN A 42 1.508 5.179 10.109 1.00 0.00 O +ATOM 715 ND2 ASN A 42 2.069 6.393 8.323 1.00 0.00 N +ATOM 716 H ASN A 42 5.375 4.805 10.008 1.00 0.00 H +ATOM 717 HA ASN A 42 2.994 3.136 10.446 1.00 0.00 H +ATOM 718 HB2 ASN A 42 3.902 4.704 8.021 1.00 0.00 H +ATOM 719 HB3 ASN A 42 2.580 3.544 7.968 1.00 0.00 H +ATOM 720 HD21 ASN A 42 2.612 6.444 7.508 1.00 0.00 H +ATOM 721 HD22 ASN A 42 1.469 7.120 8.601 1.00 0.00 H +ATOM 722 N LYS A 43 5.681 1.987 9.646 1.00 0.00 N +ATOM 723 CA LYS A 43 6.503 0.873 9.197 1.00 0.00 C +ATOM 724 C LYS A 43 6.044 -0.440 9.754 1.00 0.00 C +ATOM 725 O LYS A 43 5.440 -0.509 10.835 1.00 0.00 O +ATOM 726 CB LYS A 43 7.961 1.063 9.567 1.00 0.00 C +ATOM 727 CG LYS A 43 8.893 1.080 8.385 1.00 0.00 C +ATOM 728 CD LYS A 43 10.322 1.367 8.800 1.00 0.00 C +ATOM 729 CE LYS A 43 11.222 1.519 7.587 1.00 0.00 C +ATOM 730 NZ LYS A 43 11.622 0.246 6.985 1.00 0.00 N +ATOM 731 H LYS A 43 6.061 2.599 10.312 1.00 0.00 H +ATOM 732 HA LYS A 43 6.438 0.834 8.120 1.00 0.00 H +ATOM 733 HB2 LYS A 43 8.073 1.980 10.123 1.00 0.00 H +ATOM 734 HB3 LYS A 43 8.244 0.236 10.202 1.00 0.00 H +ATOM 735 HG2 LYS A 43 8.837 0.131 7.879 1.00 0.00 H +ATOM 736 HG3 LYS A 43 8.560 1.856 7.713 1.00 0.00 H +ATOM 737 HD2 LYS A 43 10.349 2.278 9.378 1.00 0.00 H +ATOM 738 HD3 LYS A 43 10.680 0.545 9.402 1.00 0.00 H +ATOM 739 HE2 LYS A 43 10.619 2.005 6.837 1.00 0.00 H +ATOM 740 HE3 LYS A 43 12.095 2.103 7.829 1.00 0.00 H +ATOM 741 HZ1 LYS A 43 12.107 0.450 6.079 1.00 0.00 H +ATOM 742 HZ2 LYS A 43 10.810 -0.384 6.841 1.00 0.00 H +ATOM 743 HZ3 LYS A 43 12.311 -0.223 7.610 1.00 0.00 H +ATOM 744 N LEU A 44 6.245 -1.455 8.981 1.00 0.00 N +ATOM 745 CA LEU A 44 6.030 -2.797 9.432 1.00 0.00 C +ATOM 746 C LEU A 44 7.334 -3.316 9.991 1.00 0.00 C +ATOM 747 O LEU A 44 8.376 -3.241 9.326 1.00 0.00 O +ATOM 748 CB LEU A 44 5.539 -3.698 8.306 1.00 0.00 C +ATOM 749 CG LEU A 44 4.117 -3.453 7.813 1.00 0.00 C +ATOM 750 CD1 LEU A 44 3.817 -4.330 6.627 1.00 0.00 C +ATOM 751 CD2 LEU A 44 3.127 -3.749 8.912 1.00 0.00 C +ATOM 752 H LEU A 44 6.584 -1.282 8.070 1.00 0.00 H +ATOM 753 HA LEU A 44 5.296 -2.763 10.222 1.00 0.00 H +ATOM 754 HB2 LEU A 44 6.208 -3.574 7.467 1.00 0.00 H +ATOM 755 HB3 LEU A 44 5.605 -4.720 8.650 1.00 0.00 H +ATOM 756 HG LEU A 44 4.003 -2.420 7.522 1.00 0.00 H +ATOM 757 HD11 LEU A 44 2.800 -4.146 6.314 1.00 0.00 H +ATOM 758 HD12 LEU A 44 3.933 -5.367 6.909 1.00 0.00 H +ATOM 759 HD13 LEU A 44 4.491 -4.092 5.819 1.00 0.00 H +ATOM 760 HD21 LEU A 44 2.131 -3.632 8.510 1.00 0.00 H +ATOM 761 HD22 LEU A 44 3.279 -3.068 9.735 1.00 0.00 H +ATOM 762 HD23 LEU A 44 3.260 -4.766 9.249 1.00 0.00 H +ATOM 763 N ARG A 45 7.286 -3.808 11.187 1.00 0.00 N +ATOM 764 CA ARG A 45 8.448 -4.290 11.881 1.00 0.00 C +ATOM 765 C ARG A 45 8.792 -5.693 11.432 1.00 0.00 C +ATOM 766 O ARG A 45 7.923 -6.577 11.386 1.00 0.00 O +ATOM 767 CB ARG A 45 8.197 -4.258 13.378 1.00 0.00 C +ATOM 768 CG ARG A 45 8.087 -2.857 13.957 1.00 0.00 C +ATOM 769 CD ARG A 45 7.566 -2.901 15.378 1.00 0.00 C +ATOM 770 NE ARG A 45 6.175 -3.375 15.410 1.00 0.00 N +ATOM 771 CZ ARG A 45 5.634 -4.153 16.352 1.00 0.00 C +ATOM 772 NH1 ARG A 45 6.367 -4.627 17.339 1.00 0.00 N +ATOM 773 NH2 ARG A 45 4.353 -4.465 16.289 1.00 0.00 N +ATOM 774 H ARG A 45 6.419 -3.888 11.636 1.00 0.00 H +ATOM 775 HA ARG A 45 9.275 -3.633 11.656 1.00 0.00 H +ATOM 776 HB2 ARG A 45 7.275 -4.782 13.586 1.00 0.00 H +ATOM 777 HB3 ARG A 45 9.007 -4.772 13.871 1.00 0.00 H +ATOM 778 HG2 ARG A 45 9.064 -2.396 13.957 1.00 0.00 H +ATOM 779 HG3 ARG A 45 7.408 -2.278 13.348 1.00 0.00 H +ATOM 780 HD2 ARG A 45 8.186 -3.569 15.956 1.00 0.00 H +ATOM 781 HD3 ARG A 45 7.607 -1.907 15.800 1.00 0.00 H +ATOM 782 HE ARG A 45 5.626 -3.049 14.662 1.00 0.00 H +ATOM 783 HH11 ARG A 45 7.348 -4.433 17.442 1.00 0.00 H +ATOM 784 HH12 ARG A 45 5.972 -5.228 18.041 1.00 0.00 H +ATOM 785 HH21 ARG A 45 3.752 -4.146 15.553 1.00 0.00 H +ATOM 786 HH22 ARG A 45 3.918 -5.044 16.985 1.00 0.00 H +ATOM 787 N GLY A 46 10.040 -5.884 11.063 1.00 0.00 N +ATOM 788 CA GLY A 46 10.503 -7.178 10.635 1.00 0.00 C +ATOM 789 C GLY A 46 10.303 -7.369 9.154 1.00 0.00 C +ATOM 790 O GLY A 46 10.454 -8.474 8.623 1.00 0.00 O +ATOM 791 H GLY A 46 10.662 -5.124 11.066 1.00 0.00 H +ATOM 792 HA2 GLY A 46 11.551 -7.275 10.872 1.00 0.00 H +ATOM 793 HA3 GLY A 46 9.948 -7.941 11.160 1.00 0.00 H +ATOM 794 N MET A 47 9.980 -6.299 8.491 1.00 0.00 N +ATOM 795 CA MET A 47 9.705 -6.308 7.077 1.00 0.00 C +ATOM 796 C MET A 47 10.635 -5.319 6.415 1.00 0.00 C +ATOM 797 O MET A 47 10.907 -4.277 6.993 1.00 0.00 O +ATOM 798 CB MET A 47 8.250 -5.884 6.844 1.00 0.00 C +ATOM 799 CG MET A 47 7.212 -6.816 7.463 1.00 0.00 C +ATOM 800 SD MET A 47 7.105 -8.413 6.634 1.00 0.00 S +ATOM 801 CE MET A 47 6.422 -7.899 5.058 1.00 0.00 C +ATOM 802 H MET A 47 9.946 -5.443 8.972 1.00 0.00 H +ATOM 803 HA MET A 47 9.858 -7.303 6.687 1.00 0.00 H +ATOM 804 HB2 MET A 47 8.111 -4.900 7.267 1.00 0.00 H +ATOM 805 HB3 MET A 47 8.073 -5.828 5.781 1.00 0.00 H +ATOM 806 HG2 MET A 47 7.471 -6.985 8.497 1.00 0.00 H +ATOM 807 HG3 MET A 47 6.244 -6.339 7.414 1.00 0.00 H +ATOM 808 HE1 MET A 47 7.094 -7.225 4.549 1.00 0.00 H +ATOM 809 HE2 MET A 47 5.476 -7.407 5.233 1.00 0.00 H +ATOM 810 HE3 MET A 47 6.241 -8.768 4.442 1.00 0.00 H +ATOM 811 N PRO A 48 11.170 -5.618 5.239 1.00 0.00 N +ATOM 812 CA PRO A 48 12.035 -4.686 4.541 1.00 0.00 C +ATOM 813 C PRO A 48 11.243 -3.567 3.870 1.00 0.00 C +ATOM 814 O PRO A 48 10.593 -3.769 2.835 1.00 0.00 O +ATOM 815 CB PRO A 48 12.773 -5.546 3.521 1.00 0.00 C +ATOM 816 CG PRO A 48 11.872 -6.712 3.271 1.00 0.00 C +ATOM 817 CD PRO A 48 11.014 -6.888 4.505 1.00 0.00 C +ATOM 818 HA PRO A 48 12.735 -4.217 5.217 1.00 0.00 H +ATOM 819 HB2 PRO A 48 12.943 -4.973 2.621 1.00 0.00 H +ATOM 820 HB3 PRO A 48 13.718 -5.864 3.932 1.00 0.00 H +ATOM 821 HG2 PRO A 48 11.249 -6.510 2.412 1.00 0.00 H +ATOM 822 HG3 PRO A 48 12.468 -7.595 3.098 1.00 0.00 H +ATOM 823 HD2 PRO A 48 9.980 -7.045 4.233 1.00 0.00 H +ATOM 824 HD3 PRO A 48 11.376 -7.717 5.096 1.00 0.00 H +ATOM 825 N ASP A 49 11.256 -2.420 4.527 1.00 0.00 N +ATOM 826 CA ASP A 49 10.606 -1.177 4.077 1.00 0.00 C +ATOM 827 C ASP A 49 9.191 -1.364 3.613 1.00 0.00 C +ATOM 828 O ASP A 49 8.832 -1.015 2.485 1.00 0.00 O +ATOM 829 CB ASP A 49 11.441 -0.397 3.057 1.00 0.00 C +ATOM 830 CG ASP A 49 12.730 0.086 3.656 1.00 0.00 C +ATOM 831 OD1 ASP A 49 12.697 1.004 4.513 1.00 0.00 O +ATOM 832 OD2 ASP A 49 13.796 -0.491 3.351 1.00 0.00 O +ATOM 833 H ASP A 49 11.754 -2.430 5.373 1.00 0.00 H +ATOM 834 HA ASP A 49 10.533 -0.568 4.967 1.00 0.00 H +ATOM 835 HB2 ASP A 49 11.655 -1.038 2.213 1.00 0.00 H +ATOM 836 HB3 ASP A 49 10.877 0.458 2.714 1.00 0.00 H +ATOM 837 N CYS A 50 8.400 -1.931 4.467 1.00 0.00 N +ATOM 838 CA CYS A 50 7.020 -2.109 4.187 1.00 0.00 C +ATOM 839 C CYS A 50 6.266 -1.227 5.154 1.00 0.00 C +ATOM 840 O CYS A 50 6.682 -1.079 6.310 1.00 0.00 O +ATOM 841 CB CYS A 50 6.638 -3.577 4.354 1.00 0.00 C +ATOM 842 SG CYS A 50 7.654 -4.721 3.377 1.00 0.00 S +ATOM 843 H CYS A 50 8.735 -2.213 5.345 1.00 0.00 H +ATOM 844 HA CYS A 50 6.825 -1.786 3.177 1.00 0.00 H +ATOM 845 HB2 CYS A 50 6.741 -3.854 5.392 1.00 0.00 H +ATOM 846 HB3 CYS A 50 5.611 -3.708 4.047 1.00 0.00 H +ATOM 847 HG CYS A 50 8.741 -4.072 2.969 1.00 0.00 H +ATOM 848 N TYR A 51 5.215 -0.622 4.701 1.00 0.00 N +ATOM 849 CA TYR A 51 4.465 0.320 5.503 1.00 0.00 C +ATOM 850 C TYR A 51 3.000 0.039 5.302 1.00 0.00 C +ATOM 851 O TYR A 51 2.627 -0.609 4.308 1.00 0.00 O +ATOM 852 CB TYR A 51 4.764 1.777 5.059 1.00 0.00 C +ATOM 853 CG TYR A 51 6.235 2.187 5.076 1.00 0.00 C +ATOM 854 CD1 TYR A 51 7.104 1.777 4.070 1.00 0.00 C +ATOM 855 CD2 TYR A 51 6.747 2.976 6.086 1.00 0.00 C +ATOM 856 CE1 TYR A 51 8.433 2.136 4.076 1.00 0.00 C +ATOM 857 CE2 TYR A 51 8.084 3.340 6.096 1.00 0.00 C +ATOM 858 CZ TYR A 51 8.918 2.914 5.085 1.00 0.00 C +ATOM 859 OH TYR A 51 10.254 3.261 5.099 1.00 0.00 O +ATOM 860 H TYR A 51 4.902 -0.806 3.785 1.00 0.00 H +ATOM 861 HA TYR A 51 4.731 0.199 6.543 1.00 0.00 H +ATOM 862 HB2 TYR A 51 4.405 1.911 4.050 1.00 0.00 H +ATOM 863 HB3 TYR A 51 4.222 2.452 5.707 1.00 0.00 H +ATOM 864 HD1 TYR A 51 6.721 1.161 3.270 1.00 0.00 H +ATOM 865 HD2 TYR A 51 6.093 3.307 6.880 1.00 0.00 H +ATOM 866 HE1 TYR A 51 9.086 1.803 3.282 1.00 0.00 H +ATOM 867 HE2 TYR A 51 8.467 3.958 6.895 1.00 0.00 H +ATOM 868 HH TYR A 51 10.544 3.463 4.203 1.00 0.00 H +ATOM 869 N LYS A 52 2.174 0.490 6.208 1.00 0.00 N +ATOM 870 CA LYS A 52 0.762 0.295 6.056 1.00 0.00 C +ATOM 871 C LYS A 52 0.010 1.584 6.317 1.00 0.00 C +ATOM 872 O LYS A 52 0.358 2.361 7.216 1.00 0.00 O +ATOM 873 CB LYS A 52 0.189 -0.841 6.956 1.00 0.00 C +ATOM 874 CG LYS A 52 0.136 -0.553 8.467 1.00 0.00 C +ATOM 875 CD LYS A 52 1.486 -0.667 9.153 1.00 0.00 C +ATOM 876 CE LYS A 52 1.383 -0.235 10.600 1.00 0.00 C +ATOM 877 NZ LYS A 52 2.582 -0.583 11.401 1.00 0.00 N +ATOM 878 H LYS A 52 2.513 0.988 6.984 1.00 0.00 H +ATOM 879 HA LYS A 52 0.596 0.025 5.023 1.00 0.00 H +ATOM 880 HB2 LYS A 52 -0.818 -1.062 6.631 1.00 0.00 H +ATOM 881 HB3 LYS A 52 0.791 -1.725 6.804 1.00 0.00 H +ATOM 882 HG2 LYS A 52 -0.230 0.452 8.612 1.00 0.00 H +ATOM 883 HG3 LYS A 52 -0.553 -1.248 8.925 1.00 0.00 H +ATOM 884 HD2 LYS A 52 1.813 -1.695 9.112 1.00 0.00 H +ATOM 885 HD3 LYS A 52 2.198 -0.036 8.642 1.00 0.00 H +ATOM 886 HE2 LYS A 52 1.276 0.837 10.603 1.00 0.00 H +ATOM 887 HE3 LYS A 52 0.508 -0.686 11.043 1.00 0.00 H +ATOM 888 HZ1 LYS A 52 2.644 -1.618 11.502 1.00 0.00 H +ATOM 889 HZ2 LYS A 52 2.474 -0.191 12.359 1.00 0.00 H +ATOM 890 HZ3 LYS A 52 3.476 -0.230 11.002 1.00 0.00 H +ATOM 891 N ILE A 53 -0.986 1.805 5.526 1.00 0.00 N +ATOM 892 CA ILE A 53 -1.885 2.904 5.691 1.00 0.00 C +ATOM 893 C ILE A 53 -3.213 2.327 6.116 1.00 0.00 C +ATOM 894 O ILE A 53 -3.618 1.265 5.632 1.00 0.00 O +ATOM 895 CB ILE A 53 -2.040 3.740 4.378 1.00 0.00 C +ATOM 896 CG1 ILE A 53 -0.701 4.404 4.019 1.00 0.00 C +ATOM 897 CG2 ILE A 53 -3.156 4.792 4.501 1.00 0.00 C +ATOM 898 CD1 ILE A 53 -0.738 5.244 2.763 1.00 0.00 C +ATOM 899 H ILE A 53 -1.142 1.178 4.783 1.00 0.00 H +ATOM 900 HA ILE A 53 -1.505 3.535 6.482 1.00 0.00 H +ATOM 901 HB ILE A 53 -2.311 3.061 3.583 1.00 0.00 H +ATOM 902 HG12 ILE A 53 -0.402 5.047 4.833 1.00 0.00 H +ATOM 903 HG13 ILE A 53 0.046 3.634 3.888 1.00 0.00 H +ATOM 904 HG21 ILE A 53 -4.093 4.302 4.722 1.00 0.00 H +ATOM 905 HG22 ILE A 53 -3.248 5.332 3.571 1.00 0.00 H +ATOM 906 HG23 ILE A 53 -2.918 5.487 5.293 1.00 0.00 H +ATOM 907 HD11 ILE A 53 0.241 5.656 2.571 1.00 0.00 H +ATOM 908 HD12 ILE A 53 -1.446 6.047 2.895 1.00 0.00 H +ATOM 909 HD13 ILE A 53 -1.047 4.626 1.933 1.00 0.00 H +ATOM 910 N LYS A 54 -3.866 2.988 7.016 1.00 0.00 N +ATOM 911 CA LYS A 54 -5.110 2.520 7.533 1.00 0.00 C +ATOM 912 C LYS A 54 -6.155 3.596 7.407 1.00 0.00 C +ATOM 913 O LYS A 54 -5.892 4.786 7.688 1.00 0.00 O +ATOM 914 CB LYS A 54 -5.014 1.952 8.988 1.00 0.00 C +ATOM 915 CG LYS A 54 -4.497 2.909 10.063 1.00 0.00 C +ATOM 916 CD LYS A 54 -3.017 3.204 9.904 1.00 0.00 C +ATOM 917 CE LYS A 54 -2.576 4.288 10.836 1.00 0.00 C +ATOM 918 NZ LYS A 54 -2.546 3.839 12.239 1.00 0.00 N +ATOM 919 H LYS A 54 -3.530 3.860 7.308 1.00 0.00 H +ATOM 920 HA LYS A 54 -5.395 1.719 6.872 1.00 0.00 H +ATOM 921 HB2 LYS A 54 -5.998 1.630 9.292 1.00 0.00 H +ATOM 922 HB3 LYS A 54 -4.368 1.086 8.969 1.00 0.00 H +ATOM 923 HG2 LYS A 54 -5.045 3.835 9.988 1.00 0.00 H +ATOM 924 HG3 LYS A 54 -4.670 2.468 11.034 1.00 0.00 H +ATOM 925 HD2 LYS A 54 -2.459 2.310 10.140 1.00 0.00 H +ATOM 926 HD3 LYS A 54 -2.796 3.496 8.889 1.00 0.00 H +ATOM 927 HE2 LYS A 54 -1.607 4.632 10.515 1.00 0.00 H +ATOM 928 HE3 LYS A 54 -3.307 5.075 10.715 1.00 0.00 H +ATOM 929 HZ1 LYS A 54 -1.906 3.028 12.351 1.00 0.00 H +ATOM 930 HZ2 LYS A 54 -3.491 3.552 12.566 1.00 0.00 H +ATOM 931 HZ3 LYS A 54 -2.217 4.597 12.871 1.00 0.00 H +ATOM 932 N LEU A 55 -7.284 3.199 6.925 1.00 0.00 N +ATOM 933 CA LEU A 55 -8.404 4.065 6.702 1.00 0.00 C +ATOM 934 C LEU A 55 -9.241 3.997 7.983 1.00 0.00 C +ATOM 935 O LEU A 55 -9.413 2.913 8.542 1.00 0.00 O +ATOM 936 CB LEU A 55 -9.167 3.509 5.463 1.00 0.00 C +ATOM 937 CG LEU A 55 -9.949 4.479 4.551 1.00 0.00 C +ATOM 938 CD1 LEU A 55 -11.170 5.059 5.211 1.00 0.00 C +ATOM 939 CD2 LEU A 55 -9.041 5.580 4.052 1.00 0.00 C +ATOM 940 H LEU A 55 -7.394 2.246 6.703 1.00 0.00 H +ATOM 941 HA LEU A 55 -8.048 5.067 6.516 1.00 0.00 H +ATOM 942 HB2 LEU A 55 -8.446 3.003 4.841 1.00 0.00 H +ATOM 943 HB3 LEU A 55 -9.861 2.766 5.829 1.00 0.00 H +ATOM 944 HG LEU A 55 -10.289 3.930 3.684 1.00 0.00 H +ATOM 945 HD11 LEU A 55 -10.886 5.543 6.132 1.00 0.00 H +ATOM 946 HD12 LEU A 55 -11.883 4.273 5.410 1.00 0.00 H +ATOM 947 HD13 LEU A 55 -11.609 5.786 4.542 1.00 0.00 H +ATOM 948 HD21 LEU A 55 -9.600 6.216 3.383 1.00 0.00 H +ATOM 949 HD22 LEU A 55 -8.207 5.138 3.528 1.00 0.00 H +ATOM 950 HD23 LEU A 55 -8.681 6.162 4.887 1.00 0.00 H +ATOM 951 N ARG A 56 -9.710 5.127 8.480 1.00 0.00 N +ATOM 952 CA ARG A 56 -10.428 5.118 9.756 1.00 0.00 C +ATOM 953 C ARG A 56 -11.926 5.321 9.591 1.00 0.00 C +ATOM 954 O ARG A 56 -12.700 5.056 10.498 1.00 0.00 O +ATOM 955 CB ARG A 56 -9.813 6.113 10.759 1.00 0.00 C +ATOM 956 CG ARG A 56 -9.766 7.557 10.283 1.00 0.00 C +ATOM 957 CD ARG A 56 -9.012 8.442 11.264 1.00 0.00 C +ATOM 958 NE ARG A 56 -7.623 7.976 11.461 1.00 0.00 N +ATOM 959 CZ ARG A 56 -6.525 8.752 11.430 1.00 0.00 C +ATOM 960 NH1 ARG A 56 -6.621 10.067 11.204 1.00 0.00 N +ATOM 961 NH2 ARG A 56 -5.337 8.205 11.635 1.00 0.00 N +ATOM 962 H ARG A 56 -9.575 5.969 7.993 1.00 0.00 H +ATOM 963 HA ARG A 56 -10.299 4.121 10.152 1.00 0.00 H +ATOM 964 HB2 ARG A 56 -10.394 6.084 11.669 1.00 0.00 H +ATOM 965 HB3 ARG A 56 -8.805 5.794 10.982 1.00 0.00 H +ATOM 966 HG2 ARG A 56 -9.256 7.590 9.332 1.00 0.00 H +ATOM 967 HG3 ARG A 56 -10.773 7.930 10.172 1.00 0.00 H +ATOM 968 HD2 ARG A 56 -8.995 9.451 10.882 1.00 0.00 H +ATOM 969 HD3 ARG A 56 -9.521 8.426 12.215 1.00 0.00 H +ATOM 970 HE ARG A 56 -7.537 7.013 11.638 1.00 0.00 H +ATOM 971 HH11 ARG A 56 -7.503 10.520 11.053 1.00 0.00 H +ATOM 972 HH12 ARG A 56 -5.826 10.680 11.169 1.00 0.00 H +ATOM 973 HH21 ARG A 56 -5.233 7.224 11.818 1.00 0.00 H +ATOM 974 HH22 ARG A 56 -4.485 8.736 11.622 1.00 0.00 H +ATOM 975 N SER A 57 -12.332 5.782 8.433 1.00 0.00 N +ATOM 976 CA SER A 57 -13.744 5.954 8.146 1.00 0.00 C +ATOM 977 C SER A 57 -14.373 4.591 7.811 1.00 0.00 C +ATOM 978 O SER A 57 -15.553 4.356 8.052 1.00 0.00 O +ATOM 979 CB SER A 57 -13.899 6.924 6.986 1.00 0.00 C +ATOM 980 OG SER A 57 -13.159 8.112 7.245 1.00 0.00 O +ATOM 981 H SER A 57 -11.668 6.045 7.765 1.00 0.00 H +ATOM 982 HA SER A 57 -14.223 6.361 9.023 1.00 0.00 H +ATOM 983 HB2 SER A 57 -13.529 6.468 6.078 1.00 0.00 H +ATOM 984 HB3 SER A 57 -14.940 7.181 6.869 1.00 0.00 H +ATOM 985 HG SER A 57 -13.369 8.372 8.154 1.00 0.00 H +ATOM 986 N SER A 58 -13.555 3.712 7.292 1.00 0.00 N +ATOM 987 CA SER A 58 -13.924 2.365 6.936 1.00 0.00 C +ATOM 988 C SER A 58 -12.711 1.514 7.252 1.00 0.00 C +ATOM 989 O SER A 58 -11.595 1.973 7.023 1.00 0.00 O +ATOM 990 CB SER A 58 -14.234 2.282 5.432 1.00 0.00 C +ATOM 991 OG SER A 58 -15.232 3.223 5.046 1.00 0.00 O +ATOM 992 H SER A 58 -12.614 3.943 7.150 1.00 0.00 H +ATOM 993 HA SER A 58 -14.778 2.054 7.521 1.00 0.00 H +ATOM 994 HB2 SER A 58 -13.335 2.486 4.872 1.00 0.00 H +ATOM 995 HB3 SER A 58 -14.586 1.289 5.197 1.00 0.00 H +ATOM 996 HG SER A 58 -15.747 2.794 4.350 1.00 0.00 H +ATOM 997 N GLY A 59 -12.904 0.323 7.788 1.00 0.00 N +ATOM 998 CA GLY A 59 -11.784 -0.519 8.176 1.00 0.00 C +ATOM 999 C GLY A 59 -11.035 -1.130 6.996 1.00 0.00 C +ATOM 1000 O GLY A 59 -11.176 -2.326 6.706 1.00 0.00 O +ATOM 1001 H GLY A 59 -13.815 -0.010 7.941 1.00 0.00 H +ATOM 1002 HA2 GLY A 59 -11.089 0.080 8.745 1.00 0.00 H +ATOM 1003 HA3 GLY A 59 -12.152 -1.315 8.807 1.00 0.00 H +ATOM 1004 N TYR A 60 -10.260 -0.327 6.320 1.00 0.00 N +ATOM 1005 CA TYR A 60 -9.450 -0.769 5.215 1.00 0.00 C +ATOM 1006 C TYR A 60 -8.007 -0.421 5.453 1.00 0.00 C +ATOM 1007 O TYR A 60 -7.695 0.619 6.014 1.00 0.00 O +ATOM 1008 CB TYR A 60 -9.938 -0.195 3.885 1.00 0.00 C +ATOM 1009 CG TYR A 60 -11.169 -0.880 3.335 1.00 0.00 C +ATOM 1010 CD1 TYR A 60 -12.450 -0.529 3.746 1.00 0.00 C +ATOM 1011 CD2 TYR A 60 -11.040 -1.881 2.393 1.00 0.00 C +ATOM 1012 CE1 TYR A 60 -13.562 -1.166 3.225 1.00 0.00 C +ATOM 1013 CE2 TYR A 60 -12.138 -2.520 1.871 1.00 0.00 C +ATOM 1014 CZ TYR A 60 -13.395 -2.162 2.287 1.00 0.00 C +ATOM 1015 OH TYR A 60 -14.489 -2.805 1.761 1.00 0.00 O +ATOM 1016 H TYR A 60 -10.229 0.624 6.574 1.00 0.00 H +ATOM 1017 HA TYR A 60 -9.530 -1.846 5.177 1.00 0.00 H +ATOM 1018 HB2 TYR A 60 -10.175 0.851 4.021 1.00 0.00 H +ATOM 1019 HB3 TYR A 60 -9.149 -0.286 3.154 1.00 0.00 H +ATOM 1020 HD1 TYR A 60 -12.572 0.251 4.482 1.00 0.00 H +ATOM 1021 HD2 TYR A 60 -10.049 -2.161 2.068 1.00 0.00 H +ATOM 1022 HE1 TYR A 60 -14.551 -0.885 3.554 1.00 0.00 H +ATOM 1023 HE2 TYR A 60 -12.008 -3.300 1.135 1.00 0.00 H +ATOM 1024 HH TYR A 60 -14.288 -3.749 1.749 1.00 0.00 H +ATOM 1025 N ARG A 61 -7.144 -1.313 5.073 1.00 0.00 N +ATOM 1026 CA ARG A 61 -5.730 -1.155 5.245 1.00 0.00 C +ATOM 1027 C ARG A 61 -5.071 -1.355 3.904 1.00 0.00 C +ATOM 1028 O ARG A 61 -5.578 -2.106 3.057 1.00 0.00 O +ATOM 1029 CB ARG A 61 -5.134 -2.182 6.247 1.00 0.00 C +ATOM 1030 CG ARG A 61 -5.613 -2.106 7.710 1.00 0.00 C +ATOM 1031 CD ARG A 61 -7.063 -2.551 7.891 1.00 0.00 C +ATOM 1032 NE ARG A 61 -7.433 -2.651 9.301 1.00 0.00 N +ATOM 1033 CZ ARG A 61 -8.594 -3.116 9.775 1.00 0.00 C +ATOM 1034 NH1 ARG A 61 -9.609 -3.388 8.945 1.00 0.00 N +ATOM 1035 NH2 ARG A 61 -8.754 -3.277 11.085 1.00 0.00 N +ATOM 1036 H ARG A 61 -7.447 -2.124 4.606 1.00 0.00 H +ATOM 1037 HA ARG A 61 -5.534 -0.155 5.600 1.00 0.00 H +ATOM 1038 HB2 ARG A 61 -5.367 -3.174 5.889 1.00 0.00 H +ATOM 1039 HB3 ARG A 61 -4.060 -2.073 6.238 1.00 0.00 H +ATOM 1040 HG2 ARG A 61 -4.988 -2.749 8.312 1.00 0.00 H +ATOM 1041 HG3 ARG A 61 -5.512 -1.088 8.057 1.00 0.00 H +ATOM 1042 HD2 ARG A 61 -7.708 -1.830 7.411 1.00 0.00 H +ATOM 1043 HD3 ARG A 61 -7.197 -3.515 7.423 1.00 0.00 H +ATOM 1044 HE ARG A 61 -6.712 -2.383 9.921 1.00 0.00 H +ATOM 1045 HH11 ARG A 61 -9.554 -3.248 7.955 1.00 0.00 H +ATOM 1046 HH12 ARG A 61 -10.477 -3.756 9.289 1.00 0.00 H +ATOM 1047 HH21 ARG A 61 -8.027 -3.060 11.744 1.00 0.00 H +ATOM 1048 HH22 ARG A 61 -9.601 -3.637 11.484 1.00 0.00 H +ATOM 1049 N LEU A 62 -3.986 -0.698 3.702 1.00 0.00 N +ATOM 1050 CA LEU A 62 -3.237 -0.817 2.492 1.00 0.00 C +ATOM 1051 C LEU A 62 -1.775 -0.999 2.876 1.00 0.00 C +ATOM 1052 O LEU A 62 -1.230 -0.199 3.631 1.00 0.00 O +ATOM 1053 CB LEU A 62 -3.490 0.442 1.619 1.00 0.00 C +ATOM 1054 CG LEU A 62 -2.898 0.474 0.195 1.00 0.00 C +ATOM 1055 CD1 LEU A 62 -3.582 1.548 -0.626 1.00 0.00 C +ATOM 1056 CD2 LEU A 62 -1.418 0.772 0.228 1.00 0.00 C +ATOM 1057 H LEU A 62 -3.657 -0.085 4.400 1.00 0.00 H +ATOM 1058 HA LEU A 62 -3.577 -1.698 1.968 1.00 0.00 H +ATOM 1059 HB2 LEU A 62 -4.558 0.565 1.529 1.00 0.00 H +ATOM 1060 HB3 LEU A 62 -3.109 1.297 2.159 1.00 0.00 H +ATOM 1061 HG LEU A 62 -3.050 -0.480 -0.285 1.00 0.00 H +ATOM 1062 HD11 LEU A 62 -3.445 2.507 -0.148 1.00 0.00 H +ATOM 1063 HD12 LEU A 62 -4.636 1.329 -0.711 1.00 0.00 H +ATOM 1064 HD13 LEU A 62 -3.135 1.569 -1.609 1.00 0.00 H +ATOM 1065 HD21 LEU A 62 -1.040 0.819 -0.781 1.00 0.00 H +ATOM 1066 HD22 LEU A 62 -0.908 -0.010 0.772 1.00 0.00 H +ATOM 1067 HD23 LEU A 62 -1.261 1.720 0.720 1.00 0.00 H +ATOM 1068 N VAL A 63 -1.166 -2.057 2.390 1.00 0.00 N +ATOM 1069 CA VAL A 63 0.210 -2.382 2.724 1.00 0.00 C +ATOM 1070 C VAL A 63 1.070 -2.317 1.474 1.00 0.00 C +ATOM 1071 O VAL A 63 0.731 -2.922 0.434 1.00 0.00 O +ATOM 1072 CB VAL A 63 0.323 -3.793 3.380 1.00 0.00 C +ATOM 1073 CG1 VAL A 63 1.770 -4.145 3.701 1.00 0.00 C +ATOM 1074 CG2 VAL A 63 -0.513 -3.854 4.645 1.00 0.00 C +ATOM 1075 H VAL A 63 -1.635 -2.640 1.751 1.00 0.00 H +ATOM 1076 HA VAL A 63 0.564 -1.640 3.424 1.00 0.00 H +ATOM 1077 HB VAL A 63 -0.063 -4.526 2.685 1.00 0.00 H +ATOM 1078 HG11 VAL A 63 1.810 -5.124 4.157 1.00 0.00 H +ATOM 1079 HG12 VAL A 63 2.172 -3.417 4.391 1.00 0.00 H +ATOM 1080 HG13 VAL A 63 2.354 -4.145 2.793 1.00 0.00 H +ATOM 1081 HG21 VAL A 63 -0.421 -4.833 5.091 1.00 0.00 H +ATOM 1082 HG22 VAL A 63 -1.548 -3.665 4.401 1.00 0.00 H +ATOM 1083 HG23 VAL A 63 -0.168 -3.107 5.343 1.00 0.00 H +ATOM 1084 N TYR A 64 2.159 -1.601 1.560 1.00 0.00 N +ATOM 1085 CA TYR A 64 3.028 -1.408 0.434 1.00 0.00 C +ATOM 1086 C TYR A 64 4.485 -1.499 0.833 1.00 0.00 C +ATOM 1087 O TYR A 64 4.823 -1.349 2.012 1.00 0.00 O +ATOM 1088 CB TYR A 64 2.737 -0.060 -0.262 1.00 0.00 C +ATOM 1089 CG TYR A 64 2.855 1.197 0.600 1.00 0.00 C +ATOM 1090 CD1 TYR A 64 4.075 1.628 1.116 1.00 0.00 C +ATOM 1091 CD2 TYR A 64 1.742 1.963 0.865 1.00 0.00 C +ATOM 1092 CE1 TYR A 64 4.165 2.777 1.866 1.00 0.00 C +ATOM 1093 CE2 TYR A 64 1.824 3.113 1.608 1.00 0.00 C +ATOM 1094 CZ TYR A 64 3.037 3.516 2.110 1.00 0.00 C +ATOM 1095 OH TYR A 64 3.120 4.665 2.856 1.00 0.00 O +ATOM 1096 H TYR A 64 2.405 -1.200 2.426 1.00 0.00 H +ATOM 1097 HA TYR A 64 2.820 -2.198 -0.272 1.00 0.00 H +ATOM 1098 HB2 TYR A 64 3.392 0.067 -1.110 1.00 0.00 H +ATOM 1099 HB3 TYR A 64 1.722 -0.095 -0.630 1.00 0.00 H +ATOM 1100 HD1 TYR A 64 4.962 1.043 0.920 1.00 0.00 H +ATOM 1101 HD2 TYR A 64 0.788 1.644 0.474 1.00 0.00 H +ATOM 1102 HE1 TYR A 64 5.121 3.092 2.258 1.00 0.00 H +ATOM 1103 HE2 TYR A 64 0.930 3.691 1.789 1.00 0.00 H +ATOM 1104 HH TYR A 64 3.896 5.159 2.586 1.00 0.00 H +ATOM 1105 N GLN A 65 5.328 -1.767 -0.126 1.00 0.00 N +ATOM 1106 CA GLN A 65 6.749 -1.741 0.082 1.00 0.00 C +ATOM 1107 C GLN A 65 7.294 -0.531 -0.655 1.00 0.00 C +ATOM 1108 O GLN A 65 6.802 -0.179 -1.737 1.00 0.00 O +ATOM 1109 CB GLN A 65 7.446 -3.030 -0.418 1.00 0.00 C +ATOM 1110 CG GLN A 65 7.358 -3.263 -1.930 1.00 0.00 C +ATOM 1111 CD GLN A 65 8.139 -4.482 -2.412 1.00 0.00 C +ATOM 1112 OE1 GLN A 65 7.769 -5.115 -3.407 1.00 0.00 O +ATOM 1113 NE2 GLN A 65 9.220 -4.811 -1.744 1.00 0.00 N +ATOM 1114 H GLN A 65 4.985 -1.961 -1.029 1.00 0.00 H +ATOM 1115 HA GLN A 65 6.925 -1.610 1.139 1.00 0.00 H +ATOM 1116 HB2 GLN A 65 8.492 -2.972 -0.153 1.00 0.00 H +ATOM 1117 HB3 GLN A 65 7.007 -3.878 0.086 1.00 0.00 H +ATOM 1118 HG2 GLN A 65 6.321 -3.396 -2.198 1.00 0.00 H +ATOM 1119 HG3 GLN A 65 7.744 -2.386 -2.430 1.00 0.00 H +ATOM 1120 HE21 GLN A 65 9.494 -4.273 -0.971 1.00 0.00 H +ATOM 1121 HE22 GLN A 65 9.736 -5.590 -2.047 1.00 0.00 H +ATOM 1122 N VAL A 66 8.232 0.136 -0.081 1.00 0.00 N +ATOM 1123 CA VAL A 66 8.825 1.259 -0.747 1.00 0.00 C +ATOM 1124 C VAL A 66 10.106 0.815 -1.391 1.00 0.00 C +ATOM 1125 O VAL A 66 11.067 0.453 -0.707 1.00 0.00 O +ATOM 1126 CB VAL A 66 9.080 2.464 0.206 1.00 0.00 C +ATOM 1127 CG1 VAL A 66 9.777 3.610 -0.531 1.00 0.00 C +ATOM 1128 CG2 VAL A 66 7.769 2.953 0.785 1.00 0.00 C +ATOM 1129 H VAL A 66 8.561 -0.146 0.803 1.00 0.00 H +ATOM 1130 HA VAL A 66 8.143 1.564 -1.528 1.00 0.00 H +ATOM 1131 HB VAL A 66 9.713 2.137 1.018 1.00 0.00 H +ATOM 1132 HG11 VAL A 66 9.158 3.939 -1.352 1.00 0.00 H +ATOM 1133 HG12 VAL A 66 10.726 3.266 -0.912 1.00 0.00 H +ATOM 1134 HG13 VAL A 66 9.938 4.432 0.152 1.00 0.00 H +ATOM 1135 HG21 VAL A 66 7.291 2.143 1.316 1.00 0.00 H +ATOM 1136 HG22 VAL A 66 7.122 3.296 -0.008 1.00 0.00 H +ATOM 1137 HG23 VAL A 66 7.963 3.763 1.472 1.00 0.00 H +ATOM 1138 N ILE A 67 10.120 0.804 -2.691 1.00 0.00 N +ATOM 1139 CA ILE A 67 11.279 0.399 -3.401 1.00 0.00 C +ATOM 1140 C ILE A 67 12.116 1.633 -3.669 1.00 0.00 C +ATOM 1141 O ILE A 67 11.866 2.376 -4.627 1.00 0.00 O +ATOM 1142 CB ILE A 67 10.937 -0.298 -4.743 1.00 0.00 C +ATOM 1143 CG1 ILE A 67 9.879 -1.400 -4.531 1.00 0.00 C +ATOM 1144 CG2 ILE A 67 12.207 -0.898 -5.338 1.00 0.00 C +ATOM 1145 CD1 ILE A 67 9.441 -2.099 -5.808 1.00 0.00 C +ATOM 1146 H ILE A 67 9.332 1.101 -3.201 1.00 0.00 H +ATOM 1147 HA ILE A 67 11.834 -0.284 -2.776 1.00 0.00 H +ATOM 1148 HB ILE A 67 10.551 0.442 -5.428 1.00 0.00 H +ATOM 1149 HG12 ILE A 67 10.275 -2.152 -3.867 1.00 0.00 H +ATOM 1150 HG13 ILE A 67 9.003 -0.959 -4.078 1.00 0.00 H +ATOM 1151 HG21 ILE A 67 12.628 -1.608 -4.642 1.00 0.00 H +ATOM 1152 HG22 ILE A 67 12.922 -0.113 -5.531 1.00 0.00 H +ATOM 1153 HG23 ILE A 67 11.970 -1.402 -6.263 1.00 0.00 H +ATOM 1154 HD11 ILE A 67 10.299 -2.553 -6.280 1.00 0.00 H +ATOM 1155 HD12 ILE A 67 9.001 -1.377 -6.480 1.00 0.00 H +ATOM 1156 HD13 ILE A 67 8.713 -2.860 -5.570 1.00 0.00 H +ATOM 1157 N ASP A 68 13.082 1.864 -2.804 1.00 0.00 N +ATOM 1158 CA ASP A 68 13.980 3.021 -2.889 1.00 0.00 C +ATOM 1159 C ASP A 68 14.835 2.952 -4.150 1.00 0.00 C +ATOM 1160 O ASP A 68 15.163 3.966 -4.757 1.00 0.00 O +ATOM 1161 CB ASP A 68 14.849 3.092 -1.618 1.00 0.00 C +ATOM 1162 CG ASP A 68 15.953 4.134 -1.668 1.00 0.00 C +ATOM 1163 OD1 ASP A 68 15.667 5.336 -1.668 1.00 0.00 O +ATOM 1164 OD2 ASP A 68 17.146 3.750 -1.663 1.00 0.00 O +ATOM 1165 H ASP A 68 13.199 1.231 -2.061 1.00 0.00 H +ATOM 1166 HA ASP A 68 13.365 3.906 -2.940 1.00 0.00 H +ATOM 1167 HB2 ASP A 68 14.214 3.325 -0.778 1.00 0.00 H +ATOM 1168 HB3 ASP A 68 15.296 2.123 -1.451 1.00 0.00 H +ATOM 1169 N GLU A 69 15.119 1.734 -4.568 1.00 0.00 N +ATOM 1170 CA GLU A 69 15.915 1.451 -5.764 1.00 0.00 C +ATOM 1171 C GLU A 69 15.255 2.020 -7.021 1.00 0.00 C +ATOM 1172 O GLU A 69 15.921 2.552 -7.900 1.00 0.00 O +ATOM 1173 CB GLU A 69 16.014 -0.046 -5.954 1.00 0.00 C +ATOM 1174 CG GLU A 69 16.592 -0.800 -4.790 1.00 0.00 C +ATOM 1175 CD GLU A 69 16.483 -2.273 -5.006 1.00 0.00 C +ATOM 1176 OE1 GLU A 69 17.329 -2.848 -5.716 1.00 0.00 O +ATOM 1177 OE2 GLU A 69 15.525 -2.881 -4.499 1.00 0.00 O +ATOM 1178 H GLU A 69 14.792 0.986 -4.026 1.00 0.00 H +ATOM 1179 HA GLU A 69 16.910 1.849 -5.640 1.00 0.00 H +ATOM 1180 HB2 GLU A 69 15.027 -0.438 -6.147 1.00 0.00 H +ATOM 1181 HB3 GLU A 69 16.632 -0.238 -6.818 1.00 0.00 H +ATOM 1182 HG2 GLU A 69 17.632 -0.539 -4.673 1.00 0.00 H +ATOM 1183 HG3 GLU A 69 16.047 -0.543 -3.893 1.00 0.00 H +ATOM 1184 N LYS A 70 13.948 1.903 -7.086 1.00 0.00 N +ATOM 1185 CA LYS A 70 13.199 2.284 -8.271 1.00 0.00 C +ATOM 1186 C LYS A 70 12.416 3.569 -8.038 1.00 0.00 C +ATOM 1187 O LYS A 70 11.789 4.095 -8.955 1.00 0.00 O +ATOM 1188 CB LYS A 70 12.252 1.143 -8.649 1.00 0.00 C +ATOM 1189 CG LYS A 70 12.954 -0.169 -8.949 1.00 0.00 C +ATOM 1190 CD LYS A 70 11.968 -1.310 -9.123 1.00 0.00 C +ATOM 1191 CE LYS A 70 12.696 -2.630 -9.311 1.00 0.00 C +ATOM 1192 NZ LYS A 70 11.771 -3.777 -9.345 1.00 0.00 N +ATOM 1193 H LYS A 70 13.465 1.559 -6.306 1.00 0.00 H +ATOM 1194 HA LYS A 70 13.897 2.432 -9.081 1.00 0.00 H +ATOM 1195 HB2 LYS A 70 11.611 0.962 -7.800 1.00 0.00 H +ATOM 1196 HB3 LYS A 70 11.660 1.427 -9.506 1.00 0.00 H +ATOM 1197 HG2 LYS A 70 13.523 -0.061 -9.861 1.00 0.00 H +ATOM 1198 HG3 LYS A 70 13.623 -0.402 -8.133 1.00 0.00 H +ATOM 1199 HD2 LYS A 70 11.333 -1.374 -8.251 1.00 0.00 H +ATOM 1200 HD3 LYS A 70 11.359 -1.119 -9.995 1.00 0.00 H +ATOM 1201 HE2 LYS A 70 13.242 -2.594 -10.241 1.00 0.00 H +ATOM 1202 HE3 LYS A 70 13.392 -2.757 -8.494 1.00 0.00 H +ATOM 1203 HZ1 LYS A 70 11.088 -3.718 -10.126 1.00 0.00 H +ATOM 1204 HZ2 LYS A 70 11.216 -3.859 -8.468 1.00 0.00 H +ATOM 1205 HZ3 LYS A 70 12.291 -4.670 -9.450 1.00 0.00 H +ATOM 1206 N VAL A 71 12.459 4.060 -6.792 1.00 0.00 N +ATOM 1207 CA VAL A 71 11.752 5.279 -6.366 1.00 0.00 C +ATOM 1208 C VAL A 71 10.218 5.091 -6.572 1.00 0.00 C +ATOM 1209 O VAL A 71 9.476 5.994 -6.972 1.00 0.00 O +ATOM 1210 CB VAL A 71 12.314 6.557 -7.110 1.00 0.00 C +ATOM 1211 CG1 VAL A 71 11.711 7.854 -6.573 1.00 0.00 C +ATOM 1212 CG2 VAL A 71 13.831 6.614 -6.981 1.00 0.00 C +ATOM 1213 H VAL A 71 12.992 3.583 -6.122 1.00 0.00 H +ATOM 1214 HA VAL A 71 11.927 5.373 -5.303 1.00 0.00 H +ATOM 1215 HB VAL A 71 12.071 6.476 -8.159 1.00 0.00 H +ATOM 1216 HG11 VAL A 71 10.641 7.835 -6.716 1.00 0.00 H +ATOM 1217 HG12 VAL A 71 12.132 8.696 -7.101 1.00 0.00 H +ATOM 1218 HG13 VAL A 71 11.931 7.944 -5.519 1.00 0.00 H +ATOM 1219 HG21 VAL A 71 14.102 6.627 -5.937 1.00 0.00 H +ATOM 1220 HG22 VAL A 71 14.194 7.516 -7.449 1.00 0.00 H +ATOM 1221 HG23 VAL A 71 14.270 5.751 -7.458 1.00 0.00 H +ATOM 1222 N VAL A 72 9.748 3.918 -6.232 1.00 0.00 N +ATOM 1223 CA VAL A 72 8.357 3.600 -6.401 1.00 0.00 C +ATOM 1224 C VAL A 72 7.822 2.890 -5.165 1.00 0.00 C +ATOM 1225 O VAL A 72 8.508 2.073 -4.545 1.00 0.00 O +ATOM 1226 CB VAL A 72 8.098 2.743 -7.701 1.00 0.00 C +ATOM 1227 CG1 VAL A 72 8.800 1.403 -7.641 1.00 0.00 C +ATOM 1228 CG2 VAL A 72 6.609 2.547 -7.965 1.00 0.00 C +ATOM 1229 H VAL A 72 10.341 3.256 -5.816 1.00 0.00 H +ATOM 1230 HA VAL A 72 7.829 4.537 -6.499 1.00 0.00 H +ATOM 1231 HB VAL A 72 8.519 3.289 -8.533 1.00 0.00 H +ATOM 1232 HG11 VAL A 72 8.401 0.823 -6.822 1.00 0.00 H +ATOM 1233 HG12 VAL A 72 9.848 1.584 -7.462 1.00 0.00 H +ATOM 1234 HG13 VAL A 72 8.667 0.873 -8.572 1.00 0.00 H +ATOM 1235 HG21 VAL A 72 6.130 3.508 -8.085 1.00 0.00 H +ATOM 1236 HG22 VAL A 72 6.164 2.028 -7.128 1.00 0.00 H +ATOM 1237 HG23 VAL A 72 6.474 1.961 -8.862 1.00 0.00 H +ATOM 1238 N VAL A 73 6.651 3.254 -4.793 1.00 0.00 N +ATOM 1239 CA VAL A 73 5.939 2.661 -3.722 1.00 0.00 C +ATOM 1240 C VAL A 73 5.047 1.588 -4.334 1.00 0.00 C +ATOM 1241 O VAL A 73 4.160 1.890 -5.141 1.00 0.00 O +ATOM 1242 CB VAL A 73 5.090 3.729 -2.996 1.00 0.00 C +ATOM 1243 CG1 VAL A 73 4.298 3.124 -1.874 1.00 0.00 C +ATOM 1244 CG2 VAL A 73 5.974 4.853 -2.472 1.00 0.00 C +ATOM 1245 H VAL A 73 6.200 3.976 -5.284 1.00 0.00 H +ATOM 1246 HA VAL A 73 6.641 2.216 -3.032 1.00 0.00 H +ATOM 1247 HB VAL A 73 4.401 4.153 -3.710 1.00 0.00 H +ATOM 1248 HG11 VAL A 73 4.971 2.672 -1.161 1.00 0.00 H +ATOM 1249 HG12 VAL A 73 3.635 2.368 -2.270 1.00 0.00 H +ATOM 1250 HG13 VAL A 73 3.722 3.894 -1.385 1.00 0.00 H +ATOM 1251 HG21 VAL A 73 6.706 4.448 -1.789 1.00 0.00 H +ATOM 1252 HG22 VAL A 73 5.366 5.580 -1.956 1.00 0.00 H +ATOM 1253 HG23 VAL A 73 6.480 5.328 -3.299 1.00 0.00 H +ATOM 1254 N PHE A 74 5.306 0.366 -3.992 1.00 0.00 N +ATOM 1255 CA PHE A 74 4.640 -0.757 -4.590 1.00 0.00 C +ATOM 1256 C PHE A 74 3.652 -1.367 -3.606 1.00 0.00 C +ATOM 1257 O PHE A 74 4.049 -1.945 -2.588 1.00 0.00 O +ATOM 1258 CB PHE A 74 5.706 -1.777 -5.014 1.00 0.00 C +ATOM 1259 CG PHE A 74 5.204 -2.996 -5.731 1.00 0.00 C +ATOM 1260 CD1 PHE A 74 4.987 -2.967 -7.096 1.00 0.00 C +ATOM 1261 CD2 PHE A 74 4.985 -4.179 -5.046 1.00 0.00 C +ATOM 1262 CE1 PHE A 74 4.559 -4.094 -7.763 1.00 0.00 C +ATOM 1263 CE2 PHE A 74 4.553 -5.305 -5.704 1.00 0.00 C +ATOM 1264 CZ PHE A 74 4.343 -5.265 -7.066 1.00 0.00 C +ATOM 1265 H PHE A 74 5.964 0.190 -3.280 1.00 0.00 H +ATOM 1266 HA PHE A 74 4.115 -0.421 -5.471 1.00 0.00 H +ATOM 1267 HB2 PHE A 74 6.408 -1.288 -5.673 1.00 0.00 H +ATOM 1268 HB3 PHE A 74 6.236 -2.102 -4.132 1.00 0.00 H +ATOM 1269 HD1 PHE A 74 5.154 -2.051 -7.643 1.00 0.00 H +ATOM 1270 HD2 PHE A 74 5.149 -4.211 -3.979 1.00 0.00 H +ATOM 1271 HE1 PHE A 74 4.394 -4.060 -8.830 1.00 0.00 H +ATOM 1272 HE2 PHE A 74 4.384 -6.219 -5.156 1.00 0.00 H +ATOM 1273 HZ PHE A 74 4.008 -6.152 -7.583 1.00 0.00 H +ATOM 1274 N VAL A 75 2.381 -1.208 -3.894 1.00 0.00 N +ATOM 1275 CA VAL A 75 1.326 -1.749 -3.061 1.00 0.00 C +ATOM 1276 C VAL A 75 1.256 -3.257 -3.234 1.00 0.00 C +ATOM 1277 O VAL A 75 1.102 -3.750 -4.347 1.00 0.00 O +ATOM 1278 CB VAL A 75 -0.048 -1.108 -3.396 1.00 0.00 C +ATOM 1279 CG1 VAL A 75 -1.153 -1.655 -2.498 1.00 0.00 C +ATOM 1280 CG2 VAL A 75 0.031 0.411 -3.296 1.00 0.00 C +ATOM 1281 H VAL A 75 2.137 -0.705 -4.705 1.00 0.00 H +ATOM 1282 HA VAL A 75 1.571 -1.536 -2.032 1.00 0.00 H +ATOM 1283 HB VAL A 75 -0.298 -1.365 -4.414 1.00 0.00 H +ATOM 1284 HG11 VAL A 75 -2.092 -1.183 -2.749 1.00 0.00 H +ATOM 1285 HG12 VAL A 75 -0.913 -1.452 -1.465 1.00 0.00 H +ATOM 1286 HG13 VAL A 75 -1.237 -2.722 -2.643 1.00 0.00 H +ATOM 1287 HG21 VAL A 75 0.372 0.696 -2.312 1.00 0.00 H +ATOM 1288 HG22 VAL A 75 -0.946 0.835 -3.474 1.00 0.00 H +ATOM 1289 HG23 VAL A 75 0.722 0.784 -4.037 1.00 0.00 H +ATOM 1290 N ILE A 76 1.379 -3.973 -2.138 1.00 0.00 N +ATOM 1291 CA ILE A 76 1.378 -5.422 -2.163 1.00 0.00 C +ATOM 1292 C ILE A 76 -0.050 -5.937 -2.013 1.00 0.00 C +ATOM 1293 O ILE A 76 -0.471 -6.877 -2.689 1.00 0.00 O +ATOM 1294 CB ILE A 76 2.232 -5.997 -0.994 1.00 0.00 C +ATOM 1295 CG1 ILE A 76 3.666 -5.439 -1.040 1.00 0.00 C +ATOM 1296 CG2 ILE A 76 2.252 -7.527 -1.041 1.00 0.00 C +ATOM 1297 CD1 ILE A 76 4.528 -5.861 0.139 1.00 0.00 C +ATOM 1298 H ILE A 76 1.465 -3.511 -1.275 1.00 0.00 H +ATOM 1299 HA ILE A 76 1.796 -5.759 -3.100 1.00 0.00 H +ATOM 1300 HB ILE A 76 1.770 -5.697 -0.066 1.00 0.00 H +ATOM 1301 HG12 ILE A 76 4.150 -5.784 -1.941 1.00 0.00 H +ATOM 1302 HG13 ILE A 76 3.622 -4.360 -1.054 1.00 0.00 H +ATOM 1303 HG21 ILE A 76 2.678 -7.853 -1.977 1.00 0.00 H +ATOM 1304 HG22 ILE A 76 1.245 -7.907 -0.952 1.00 0.00 H +ATOM 1305 HG23 ILE A 76 2.849 -7.902 -0.225 1.00 0.00 H +ATOM 1306 HD11 ILE A 76 4.591 -6.939 0.173 1.00 0.00 H +ATOM 1307 HD12 ILE A 76 4.080 -5.507 1.058 1.00 0.00 H +ATOM 1308 HD13 ILE A 76 5.519 -5.446 0.037 1.00 0.00 H +ATOM 1309 N SER A 77 -0.793 -5.323 -1.121 1.00 0.00 N +ATOM 1310 CA SER A 77 -2.148 -5.732 -0.839 1.00 0.00 C +ATOM 1311 C SER A 77 -2.952 -4.565 -0.292 1.00 0.00 C +ATOM 1312 O SER A 77 -2.397 -3.659 0.351 1.00 0.00 O +ATOM 1313 CB SER A 77 -2.155 -6.909 0.157 1.00 0.00 C +ATOM 1314 OG SER A 77 -1.526 -8.060 -0.404 1.00 0.00 O +ATOM 1315 H SER A 77 -0.439 -4.552 -0.624 1.00 0.00 H +ATOM 1316 HA SER A 77 -2.596 -6.061 -1.765 1.00 0.00 H +ATOM 1317 HB2 SER A 77 -1.600 -6.620 1.038 1.00 0.00 H +ATOM 1318 HB3 SER A 77 -3.172 -7.157 0.425 1.00 0.00 H +ATOM 1319 HG SER A 77 -1.147 -7.769 -1.248 1.00 0.00 H +ATOM 1320 N VAL A 78 -4.236 -4.578 -0.560 1.00 0.00 N +ATOM 1321 CA VAL A 78 -5.140 -3.552 -0.112 1.00 0.00 C +ATOM 1322 C VAL A 78 -6.489 -4.200 0.210 1.00 0.00 C +ATOM 1323 O VAL A 78 -6.955 -5.072 -0.530 1.00 0.00 O +ATOM 1324 CB VAL A 78 -5.291 -2.415 -1.185 1.00 0.00 C +ATOM 1325 CG1 VAL A 78 -5.804 -2.942 -2.522 1.00 0.00 C +ATOM 1326 CG2 VAL A 78 -6.169 -1.285 -0.679 1.00 0.00 C +ATOM 1327 H VAL A 78 -4.635 -5.313 -1.075 1.00 0.00 H +ATOM 1328 HA VAL A 78 -4.735 -3.133 0.799 1.00 0.00 H +ATOM 1329 HB VAL A 78 -4.303 -2.017 -1.370 1.00 0.00 H +ATOM 1330 HG11 VAL A 78 -5.109 -3.671 -2.911 1.00 0.00 H +ATOM 1331 HG12 VAL A 78 -5.902 -2.127 -3.223 1.00 0.00 H +ATOM 1332 HG13 VAL A 78 -6.767 -3.409 -2.378 1.00 0.00 H +ATOM 1333 HG21 VAL A 78 -5.731 -0.863 0.213 1.00 0.00 H +ATOM 1334 HG22 VAL A 78 -7.153 -1.668 -0.454 1.00 0.00 H +ATOM 1335 HG23 VAL A 78 -6.244 -0.521 -1.439 1.00 0.00 H +ATOM 1336 N GLY A 79 -7.064 -3.851 1.323 1.00 0.00 N +ATOM 1337 CA GLY A 79 -8.329 -4.421 1.699 1.00 0.00 C +ATOM 1338 C GLY A 79 -8.465 -4.503 3.187 1.00 0.00 C +ATOM 1339 O GLY A 79 -7.935 -3.663 3.902 1.00 0.00 O +ATOM 1340 H GLY A 79 -6.627 -3.206 1.928 1.00 0.00 H +ATOM 1341 HA2 GLY A 79 -9.132 -3.829 1.288 1.00 0.00 H +ATOM 1342 HA3 GLY A 79 -8.389 -5.420 1.293 1.00 0.00 H +ATOM 1343 N LYS A 80 -9.154 -5.491 3.666 1.00 0.00 N +ATOM 1344 CA LYS A 80 -9.311 -5.654 5.084 1.00 0.00 C +ATOM 1345 C LYS A 80 -8.236 -6.578 5.631 1.00 0.00 C +ATOM 1346 O LYS A 80 -7.835 -7.539 4.978 1.00 0.00 O +ATOM 1347 CB LYS A 80 -10.721 -6.146 5.444 1.00 0.00 C +ATOM 1348 CG LYS A 80 -11.823 -5.179 5.008 1.00 0.00 C +ATOM 1349 CD LYS A 80 -13.207 -5.581 5.518 1.00 0.00 C +ATOM 1350 CE LYS A 80 -13.684 -6.916 4.961 1.00 0.00 C +ATOM 1351 NZ LYS A 80 -15.045 -7.253 5.443 1.00 0.00 N +ATOM 1352 H LYS A 80 -9.563 -6.143 3.057 1.00 0.00 H +ATOM 1353 HA LYS A 80 -9.158 -4.680 5.527 1.00 0.00 H +ATOM 1354 HB2 LYS A 80 -10.889 -7.099 4.965 1.00 0.00 H +ATOM 1355 HB3 LYS A 80 -10.785 -6.273 6.515 1.00 0.00 H +ATOM 1356 HG2 LYS A 80 -11.590 -4.196 5.393 1.00 0.00 H +ATOM 1357 HG3 LYS A 80 -11.842 -5.140 3.929 1.00 0.00 H +ATOM 1358 HD2 LYS A 80 -13.164 -5.658 6.595 1.00 0.00 H +ATOM 1359 HD3 LYS A 80 -13.913 -4.811 5.244 1.00 0.00 H +ATOM 1360 HE2 LYS A 80 -13.699 -6.859 3.882 1.00 0.00 H +ATOM 1361 HE3 LYS A 80 -12.999 -7.690 5.271 1.00 0.00 H +ATOM 1362 HZ1 LYS A 80 -15.743 -6.550 5.124 1.00 0.00 H +ATOM 1363 HZ2 LYS A 80 -15.069 -7.292 6.483 1.00 0.00 H +ATOM 1364 HZ3 LYS A 80 -15.326 -8.185 5.078 1.00 0.00 H +ATOM 1365 N ALA A 81 -7.747 -6.255 6.792 1.00 0.00 N +ATOM 1366 CA ALA A 81 -6.720 -7.011 7.441 1.00 0.00 C +ATOM 1367 C ALA A 81 -7.098 -7.141 8.882 1.00 0.00 C +ATOM 1368 O ALA A 81 -7.208 -6.133 9.587 1.00 0.00 O +ATOM 1369 CB ALA A 81 -5.391 -6.289 7.321 1.00 0.00 C +ATOM 1370 H ALA A 81 -8.097 -5.483 7.282 1.00 0.00 H +ATOM 1371 HA ALA A 81 -6.639 -7.980 6.971 1.00 0.00 H +ATOM 1372 HB1 ALA A 81 -4.626 -6.855 7.830 1.00 0.00 H +ATOM 1373 HB2 ALA A 81 -5.472 -5.312 7.774 1.00 0.00 H +ATOM 1374 HB3 ALA A 81 -5.129 -6.185 6.278 1.00 0.00 H +ATOM 1375 N GLU A 82 -7.321 -8.333 9.326 1.00 0.00 N +ATOM 1376 CA GLU A 82 -7.753 -8.527 10.673 1.00 0.00 C +ATOM 1377 C GLU A 82 -6.573 -8.965 11.523 1.00 0.00 C +ATOM 1378 O GLU A 82 -6.328 -8.425 12.607 1.00 0.00 O +ATOM 1379 CB GLU A 82 -8.889 -9.550 10.723 1.00 0.00 C +ATOM 1380 CG GLU A 82 -9.590 -9.639 12.067 1.00 0.00 C +ATOM 1381 CD GLU A 82 -10.250 -8.336 12.461 1.00 0.00 C +ATOM 1382 OE1 GLU A 82 -9.595 -7.490 13.097 1.00 0.00 O +ATOM 1383 OE2 GLU A 82 -11.446 -8.133 12.146 1.00 0.00 O +ATOM 1384 H GLU A 82 -7.170 -9.122 8.753 1.00 0.00 H +ATOM 1385 HA GLU A 82 -8.114 -7.580 11.043 1.00 0.00 H +ATOM 1386 HB2 GLU A 82 -9.625 -9.288 9.976 1.00 0.00 H +ATOM 1387 HB3 GLU A 82 -8.477 -10.520 10.487 1.00 0.00 H +ATOM 1388 HG2 GLU A 82 -10.347 -10.408 12.023 1.00 0.00 H +ATOM 1389 HG3 GLU A 82 -8.858 -9.898 12.818 1.00 0.00 H +ATOM 1390 N ALA A 83 -5.810 -9.898 11.020 1.00 0.00 N +ATOM 1391 CA ALA A 83 -4.680 -10.394 11.756 1.00 0.00 C +ATOM 1392 C ALA A 83 -3.456 -10.583 10.883 1.00 0.00 C +ATOM 1393 O ALA A 83 -2.401 -10.028 11.178 1.00 0.00 O +ATOM 1394 CB ALA A 83 -5.023 -11.678 12.483 1.00 0.00 C +ATOM 1395 H ALA A 83 -6.018 -10.246 10.118 1.00 0.00 H +ATOM 1396 HA ALA A 83 -4.442 -9.652 12.504 1.00 0.00 H +ATOM 1397 HB1 ALA A 83 -5.908 -11.529 13.085 1.00 0.00 H +ATOM 1398 HB2 ALA A 83 -4.197 -11.960 13.117 1.00 0.00 H +ATOM 1399 HB3 ALA A 83 -5.202 -12.457 11.760 1.00 0.00 H +ATOM 1400 N SER A 84 -3.574 -11.330 9.809 1.00 0.00 N +ATOM 1401 CA SER A 84 -2.393 -11.632 9.024 1.00 0.00 C +ATOM 1402 C SER A 84 -2.672 -11.718 7.529 1.00 0.00 C +ATOM 1403 O SER A 84 -1.775 -12.048 6.756 1.00 0.00 O +ATOM 1404 CB SER A 84 -1.807 -12.945 9.522 1.00 0.00 C +ATOM 1405 OG SER A 84 -2.793 -13.978 9.489 1.00 0.00 O +ATOM 1406 H SER A 84 -4.446 -11.701 9.548 1.00 0.00 H +ATOM 1407 HA SER A 84 -1.662 -10.861 9.213 1.00 0.00 H +ATOM 1408 HB2 SER A 84 -0.981 -13.224 8.885 1.00 0.00 H +ATOM 1409 HB3 SER A 84 -1.459 -12.825 10.537 1.00 0.00 H +ATOM 1410 HG SER A 84 -2.881 -14.274 8.573 1.00 0.00 H +ATOM 1411 N GLU A 85 -3.867 -11.329 7.125 1.00 0.00 N +ATOM 1412 CA GLU A 85 -4.357 -11.502 5.751 1.00 0.00 C +ATOM 1413 C GLU A 85 -3.440 -10.844 4.732 1.00 0.00 C +ATOM 1414 O GLU A 85 -3.032 -11.457 3.767 1.00 0.00 O +ATOM 1415 CB GLU A 85 -5.773 -10.907 5.617 1.00 0.00 C +ATOM 1416 CG GLU A 85 -6.891 -11.629 6.386 1.00 0.00 C +ATOM 1417 CD GLU A 85 -6.643 -11.741 7.868 1.00 0.00 C +ATOM 1418 OE1 GLU A 85 -6.201 -10.744 8.494 1.00 0.00 O +ATOM 1419 OE2 GLU A 85 -6.807 -12.836 8.423 1.00 0.00 O +ATOM 1420 H GLU A 85 -4.500 -10.920 7.760 1.00 0.00 H +ATOM 1421 HA GLU A 85 -4.417 -12.560 5.545 1.00 0.00 H +ATOM 1422 HB2 GLU A 85 -5.743 -9.886 5.968 1.00 0.00 H +ATOM 1423 HB3 GLU A 85 -6.029 -10.902 4.570 1.00 0.00 H +ATOM 1424 HG2 GLU A 85 -7.815 -11.090 6.241 1.00 0.00 H +ATOM 1425 HG3 GLU A 85 -6.997 -12.624 5.979 1.00 0.00 H +ATOM 1426 N VAL A 86 -3.087 -9.615 4.981 1.00 0.00 N +ATOM 1427 CA VAL A 86 -2.232 -8.885 4.066 1.00 0.00 C +ATOM 1428 C VAL A 86 -0.761 -8.984 4.490 1.00 0.00 C +ATOM 1429 O VAL A 86 0.126 -8.517 3.795 1.00 0.00 O +ATOM 1430 CB VAL A 86 -2.655 -7.395 3.969 1.00 0.00 C +ATOM 1431 CG1 VAL A 86 -4.085 -7.268 3.452 1.00 0.00 C +ATOM 1432 CG2 VAL A 86 -2.514 -6.703 5.315 1.00 0.00 C +ATOM 1433 H VAL A 86 -3.418 -9.186 5.794 1.00 0.00 H +ATOM 1434 HA VAL A 86 -2.341 -9.336 3.091 1.00 0.00 H +ATOM 1435 HB VAL A 86 -2.006 -6.902 3.262 1.00 0.00 H +ATOM 1436 HG11 VAL A 86 -4.155 -7.714 2.471 1.00 0.00 H +ATOM 1437 HG12 VAL A 86 -4.359 -6.225 3.395 1.00 0.00 H +ATOM 1438 HG13 VAL A 86 -4.756 -7.780 4.128 1.00 0.00 H +ATOM 1439 HG21 VAL A 86 -1.482 -6.747 5.634 1.00 0.00 H +ATOM 1440 HG22 VAL A 86 -3.134 -7.208 6.041 1.00 0.00 H +ATOM 1441 HG23 VAL A 86 -2.823 -5.672 5.227 1.00 0.00 H +ATOM 1442 N TYR A 87 -0.521 -9.628 5.613 1.00 0.00 N +ATOM 1443 CA TYR A 87 0.818 -9.692 6.184 1.00 0.00 C +ATOM 1444 C TYR A 87 1.570 -10.913 5.695 1.00 0.00 C +ATOM 1445 O TYR A 87 2.759 -10.827 5.377 1.00 0.00 O +ATOM 1446 CB TYR A 87 0.772 -9.666 7.713 1.00 0.00 C +ATOM 1447 CG TYR A 87 0.174 -8.399 8.297 1.00 0.00 C +ATOM 1448 CD1 TYR A 87 -1.195 -8.278 8.512 1.00 0.00 C +ATOM 1449 CD2 TYR A 87 0.981 -7.326 8.636 1.00 0.00 C +ATOM 1450 CE1 TYR A 87 -1.736 -7.127 9.045 1.00 0.00 C +ATOM 1451 CE2 TYR A 87 0.447 -6.172 9.172 1.00 0.00 C +ATOM 1452 CZ TYR A 87 -0.909 -6.077 9.373 1.00 0.00 C +ATOM 1453 OH TYR A 87 -1.444 -4.922 9.906 1.00 0.00 O +ATOM 1454 H TYR A 87 -1.260 -10.110 6.041 1.00 0.00 H +ATOM 1455 HA TYR A 87 1.349 -8.816 5.841 1.00 0.00 H +ATOM 1456 HB2 TYR A 87 0.199 -10.510 8.059 1.00 0.00 H +ATOM 1457 HB3 TYR A 87 1.780 -9.764 8.091 1.00 0.00 H +ATOM 1458 HD1 TYR A 87 -1.844 -9.100 8.251 1.00 0.00 H +ATOM 1459 HD2 TYR A 87 2.047 -7.400 8.477 1.00 0.00 H +ATOM 1460 HE1 TYR A 87 -2.801 -7.052 9.206 1.00 0.00 H +ATOM 1461 HE2 TYR A 87 1.092 -5.348 9.431 1.00 0.00 H +ATOM 1462 HH TYR A 87 -1.083 -4.165 9.433 1.00 0.00 H +ATOM 1463 N SER A 88 0.877 -12.045 5.606 1.00 0.00 N +ATOM 1464 CA SER A 88 1.485 -13.272 5.128 1.00 0.00 C +ATOM 1465 C SER A 88 1.925 -13.098 3.697 1.00 0.00 C +ATOM 1466 O SER A 88 3.037 -13.461 3.316 1.00 0.00 O +ATOM 1467 CB SER A 88 0.486 -14.422 5.238 1.00 0.00 C +ATOM 1468 OG SER A 88 -0.773 -14.073 4.660 1.00 0.00 O +ATOM 1469 H SER A 88 -0.071 -12.082 5.864 1.00 0.00 H +ATOM 1470 HA SER A 88 2.342 -13.492 5.745 1.00 0.00 H +ATOM 1471 HB2 SER A 88 0.873 -15.282 4.713 1.00 0.00 H +ATOM 1472 HB3 SER A 88 0.338 -14.666 6.279 1.00 0.00 H +ATOM 1473 HG SER A 88 -0.746 -14.259 3.704 1.00 0.00 H +ATOM 1474 N GLU A 89 1.066 -12.460 2.938 1.00 0.00 N +ATOM 1475 CA GLU A 89 1.282 -12.225 1.541 1.00 0.00 C +ATOM 1476 C GLU A 89 2.473 -11.301 1.356 1.00 0.00 C +ATOM 1477 O GLU A 89 3.246 -11.449 0.423 1.00 0.00 O +ATOM 1478 CB GLU A 89 0.033 -11.595 0.927 1.00 0.00 C +ATOM 1479 CG GLU A 89 -1.275 -12.305 1.288 1.00 0.00 C +ATOM 1480 CD GLU A 89 -1.248 -13.795 1.033 1.00 0.00 C +ATOM 1481 OE1 GLU A 89 -1.563 -14.232 -0.098 1.00 0.00 O +ATOM 1482 OE2 GLU A 89 -0.898 -14.561 1.960 1.00 0.00 O +ATOM 1483 H GLU A 89 0.231 -12.157 3.353 1.00 0.00 H +ATOM 1484 HA GLU A 89 1.473 -13.169 1.055 1.00 0.00 H +ATOM 1485 HB2 GLU A 89 -0.036 -10.573 1.269 1.00 0.00 H +ATOM 1486 HB3 GLU A 89 0.137 -11.593 -0.148 1.00 0.00 H +ATOM 1487 HG2 GLU A 89 -1.477 -12.146 2.336 1.00 0.00 H +ATOM 1488 HG3 GLU A 89 -2.072 -11.867 0.704 1.00 0.00 H +ATOM 1489 N ALA A 90 2.629 -10.382 2.289 1.00 0.00 N +ATOM 1490 CA ALA A 90 3.691 -9.412 2.246 1.00 0.00 C +ATOM 1491 C ALA A 90 5.034 -10.041 2.608 1.00 0.00 C +ATOM 1492 O ALA A 90 6.020 -9.811 1.932 1.00 0.00 O +ATOM 1493 CB ALA A 90 3.375 -8.234 3.154 1.00 0.00 C +ATOM 1494 H ALA A 90 2.002 -10.369 3.042 1.00 0.00 H +ATOM 1495 HA ALA A 90 3.756 -9.046 1.232 1.00 0.00 H +ATOM 1496 HB1 ALA A 90 3.343 -8.575 4.179 1.00 0.00 H +ATOM 1497 HB2 ALA A 90 2.418 -7.814 2.883 1.00 0.00 H +ATOM 1498 HB3 ALA A 90 4.143 -7.482 3.049 1.00 0.00 H +ATOM 1499 N VAL A 91 5.068 -10.855 3.652 1.00 0.00 N +ATOM 1500 CA VAL A 91 6.328 -11.472 4.073 1.00 0.00 C +ATOM 1501 C VAL A 91 6.791 -12.527 3.047 1.00 0.00 C +ATOM 1502 O VAL A 91 7.985 -12.698 2.803 1.00 0.00 O +ATOM 1503 CB VAL A 91 6.255 -12.058 5.525 1.00 0.00 C +ATOM 1504 CG1 VAL A 91 5.277 -13.213 5.637 1.00 0.00 C +ATOM 1505 CG2 VAL A 91 7.635 -12.444 6.046 1.00 0.00 C +ATOM 1506 H VAL A 91 4.241 -11.025 4.157 1.00 0.00 H +ATOM 1507 HA VAL A 91 7.066 -10.683 4.050 1.00 0.00 H +ATOM 1508 HB VAL A 91 5.871 -11.269 6.158 1.00 0.00 H +ATOM 1509 HG11 VAL A 91 4.298 -12.879 5.330 1.00 0.00 H +ATOM 1510 HG12 VAL A 91 5.236 -13.555 6.661 1.00 0.00 H +ATOM 1511 HG13 VAL A 91 5.600 -14.021 4.996 1.00 0.00 H +ATOM 1512 HG21 VAL A 91 8.268 -11.569 6.077 1.00 0.00 H +ATOM 1513 HG22 VAL A 91 8.074 -13.176 5.385 1.00 0.00 H +ATOM 1514 HG23 VAL A 91 7.543 -12.860 7.038 1.00 0.00 H +ATOM 1515 N LYS A 92 5.830 -13.159 2.390 1.00 0.00 N +ATOM 1516 CA LYS A 92 6.107 -14.165 1.370 1.00 0.00 C +ATOM 1517 C LYS A 92 6.645 -13.561 0.086 1.00 0.00 C +ATOM 1518 O LYS A 92 7.072 -14.282 -0.823 1.00 0.00 O +ATOM 1519 CB LYS A 92 4.910 -15.085 1.131 1.00 0.00 C +ATOM 1520 CG LYS A 92 4.611 -15.996 2.316 1.00 0.00 C +ATOM 1521 CD LYS A 92 5.745 -16.987 2.551 1.00 0.00 C +ATOM 1522 CE LYS A 92 5.533 -17.817 3.806 1.00 0.00 C +ATOM 1523 NZ LYS A 92 5.544 -16.991 5.034 1.00 0.00 N +ATOM 1524 H LYS A 92 4.894 -12.958 2.608 1.00 0.00 H +ATOM 1525 HA LYS A 92 6.918 -14.756 1.769 1.00 0.00 H +ATOM 1526 HB2 LYS A 92 4.040 -14.476 0.936 1.00 0.00 H +ATOM 1527 HB3 LYS A 92 5.110 -15.704 0.267 1.00 0.00 H +ATOM 1528 HG2 LYS A 92 4.492 -15.387 3.200 1.00 0.00 H +ATOM 1529 HG3 LYS A 92 3.697 -16.538 2.126 1.00 0.00 H +ATOM 1530 HD2 LYS A 92 5.812 -17.652 1.703 1.00 0.00 H +ATOM 1531 HD3 LYS A 92 6.679 -16.456 2.642 1.00 0.00 H +ATOM 1532 HE2 LYS A 92 4.578 -18.317 3.736 1.00 0.00 H +ATOM 1533 HE3 LYS A 92 6.317 -18.556 3.872 1.00 0.00 H +ATOM 1534 HZ1 LYS A 92 6.391 -16.389 5.082 1.00 0.00 H +ATOM 1535 HZ2 LYS A 92 5.579 -17.618 5.862 1.00 0.00 H +ATOM 1536 HZ3 LYS A 92 4.688 -16.407 5.115 1.00 0.00 H +ATOM 1537 N ARG A 93 6.598 -12.235 -0.015 1.00 0.00 N +ATOM 1538 CA ARG A 93 7.188 -11.540 -1.153 1.00 0.00 C +ATOM 1539 C ARG A 93 8.710 -11.650 -1.061 1.00 0.00 C +ATOM 1540 O ARG A 93 9.418 -11.540 -2.056 1.00 0.00 O +ATOM 1541 CB ARG A 93 6.772 -10.067 -1.186 1.00 0.00 C +ATOM 1542 CG ARG A 93 5.269 -9.843 -1.178 1.00 0.00 C +ATOM 1543 CD ARG A 93 4.570 -10.426 -2.400 1.00 0.00 C +ATOM 1544 NE ARG A 93 4.918 -9.698 -3.609 1.00 0.00 N +ATOM 1545 CZ ARG A 93 4.105 -9.488 -4.639 1.00 0.00 C +ATOM 1546 NH1 ARG A 93 2.921 -10.085 -4.706 1.00 0.00 N +ATOM 1547 NH2 ARG A 93 4.491 -8.716 -5.624 1.00 0.00 N +ATOM 1548 H ARG A 93 6.166 -11.719 0.699 1.00 0.00 H +ATOM 1549 HA ARG A 93 6.854 -12.036 -2.053 1.00 0.00 H +ATOM 1550 HB2 ARG A 93 7.193 -9.567 -0.327 1.00 0.00 H +ATOM 1551 HB3 ARG A 93 7.179 -9.619 -2.080 1.00 0.00 H +ATOM 1552 HG2 ARG A 93 4.857 -10.314 -0.298 1.00 0.00 H +ATOM 1553 HG3 ARG A 93 5.077 -8.781 -1.135 1.00 0.00 H +ATOM 1554 HD2 ARG A 93 4.856 -11.460 -2.514 1.00 0.00 H +ATOM 1555 HD3 ARG A 93 3.503 -10.366 -2.249 1.00 0.00 H +ATOM 1556 HE ARG A 93 5.816 -9.293 -3.617 1.00 0.00 H +ATOM 1557 HH11 ARG A 93 2.583 -10.717 -4.008 1.00 0.00 H +ATOM 1558 HH12 ARG A 93 2.323 -9.904 -5.495 1.00 0.00 H +ATOM 1559 HH21 ARG A 93 5.392 -8.274 -5.645 1.00 0.00 H +ATOM 1560 HH22 ARG A 93 3.853 -8.536 -6.387 1.00 0.00 H +ATOM 1561 N ILE A 94 9.197 -11.883 0.149 1.00 0.00 N +ATOM 1562 CA ILE A 94 10.602 -12.090 0.381 1.00 0.00 C +ATOM 1563 C ILE A 94 10.849 -13.600 0.346 1.00 0.00 C +ATOM 1564 O ILE A 94 10.933 -14.268 1.383 1.00 0.00 O +ATOM 1565 CB ILE A 94 11.129 -11.469 1.744 1.00 0.00 C +ATOM 1566 CG1 ILE A 94 10.888 -9.939 1.835 1.00 0.00 C +ATOM 1567 CG2 ILE A 94 12.619 -11.750 1.943 1.00 0.00 C +ATOM 1568 CD1 ILE A 94 9.447 -9.507 2.058 1.00 0.00 C +ATOM 1569 H ILE A 94 8.589 -11.951 0.916 1.00 0.00 H +ATOM 1570 HA ILE A 94 11.126 -11.644 -0.453 1.00 0.00 H +ATOM 1571 HB ILE A 94 10.596 -11.955 2.549 1.00 0.00 H +ATOM 1572 HG12 ILE A 94 11.465 -9.547 2.660 1.00 0.00 H +ATOM 1573 HG13 ILE A 94 11.236 -9.481 0.921 1.00 0.00 H +ATOM 1574 HG21 ILE A 94 12.942 -11.332 2.885 1.00 0.00 H +ATOM 1575 HG22 ILE A 94 13.178 -11.296 1.140 1.00 0.00 H +ATOM 1576 HG23 ILE A 94 12.789 -12.817 1.941 1.00 0.00 H +ATOM 1577 HD11 ILE A 94 9.397 -8.428 2.101 1.00 0.00 H +ATOM 1578 HD12 ILE A 94 9.083 -9.924 2.984 1.00 0.00 H +ATOM 1579 HD13 ILE A 94 8.838 -9.862 1.241 1.00 0.00 H +ATOM 1580 N LEU A 95 10.833 -14.122 -0.855 1.00 0.00 N +ATOM 1581 CA LEU A 95 11.004 -15.525 -1.139 1.00 0.00 C +ATOM 1582 C LEU A 95 11.067 -15.663 -2.639 1.00 0.00 C +ATOM 1583 O LEU A 95 12.138 -15.958 -3.174 1.00 0.00 O +ATOM 1584 CB LEU A 95 9.835 -16.365 -0.574 1.00 0.00 C +ATOM 1585 CG LEU A 95 9.942 -17.890 -0.742 1.00 0.00 C +ATOM 1586 CD1 LEU A 95 11.177 -18.434 -0.033 1.00 0.00 C +ATOM 1587 CD2 LEU A 95 8.687 -18.571 -0.216 1.00 0.00 C +ATOM 1588 OXT LEU A 95 10.059 -15.340 -3.308 1.00 0.00 O +ATOM 1589 H LEU A 95 10.696 -13.527 -1.622 1.00 0.00 H +ATOM 1590 HA LEU A 95 11.939 -15.846 -0.704 1.00 0.00 H +ATOM 1591 HB2 LEU A 95 9.750 -16.150 0.482 1.00 0.00 H +ATOM 1592 HB3 LEU A 95 8.927 -16.037 -1.056 1.00 0.00 H +ATOM 1593 HG LEU A 95 10.038 -18.120 -1.793 1.00 0.00 H +ATOM 1594 HD11 LEU A 95 11.123 -18.190 1.018 1.00 0.00 H +ATOM 1595 HD12 LEU A 95 12.064 -17.992 -0.461 1.00 0.00 H +ATOM 1596 HD13 LEU A 95 11.217 -19.506 -0.153 1.00 0.00 H +ATOM 1597 HD21 LEU A 95 7.826 -18.226 -0.770 1.00 0.00 H +ATOM 1598 HD22 LEU A 95 8.557 -18.337 0.830 1.00 0.00 H +ATOM 1599 HD23 LEU A 95 8.782 -19.641 -0.332 1.00 0.00 H +TER 1600 LEU A 95 +ENDMDL +MASTER 196 0 0 3 4 0 0 631980 20 0 8 +END diff --git a/biojava-structure/src/test/resources/5pti.bcif b/biojava-structure/src/test/resources/5pti.bcif new file mode 100644 index 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zcqSo4STU^NF5$#D<6i7P!e$b3k!O#m@>5_J{Qig&AJVIdt$`e}hO^j1)%;~ukT$K(7 z*ic~te%!qp?9?RrFPx>47XulMfjRoh<4fBI}+?Df9cwcdC8)|1EfS-XfcvNyW9 zj7uzpm)UESwYN;Gb=RfvdCF^%u`4?6xEZQ|(g5JU?W)246+VegD)J$@M+Gd-Cs8S1 z@Iyr8N?qLG8TpqN3GbYk5y2;^nfKFi)QbHgoeA0EYkFdTEniaNLq-VJBoQGuxUsQ z^&L2uV_;)cP*Z`r5F-v#G7E0U+P!;X=Pa4ZAYU$2%SOFgRvS7Z%G#)0s~9(cEURH$ u&lxrJs|Rpk+e+NdqxUqY&n>V;4Hn@X(hZqbTgpG^t2SN$ literal 0 HcmV?d00001 diff --git a/biojava-structure/src/test/resources/5pti.cif b/biojava-structure/src/test/resources/5pti.cif new file mode 100644 index 0000000000..473cbcba6c --- /dev/null +++ b/biojava-structure/src/test/resources/5pti.cif @@ -0,0 +1,2005 @@ +data_5PTI +# +_entry.id 5PTI +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 1.0670 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +_database_2.database_id PDB +_database_2.database_code 5PTI +# +loop_ +_database_PDB_rev.num +_database_PDB_rev.date +_database_PDB_rev.date_original +_database_PDB_rev.status +_database_PDB_rev.replaces +_database_PDB_rev.mod_type +1 1984-10-29 1984-10-05 ? 5PTI 0 +2 1985-03-04 ? ? 5PTI 1 +3 1987-04-16 ? ? 5PTI 1 +4 1987-10-16 ? ? 5PTI 1 +5 1990-01-15 ? ? 5PTI 1 +6 2009-02-24 ? ? 5PTI 1 +# +loop_ +_database_PDB_rev_record.rev_num +_database_PDB_rev_record.type +_database_PDB_rev_record.details +2 JRNL ? +3 REMARK ? +4 HELIX ? +5 JRNL ? +6 VERSN ? +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 5PTI +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site ? +_pdbx_database_status.SG_entry ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Wlodawer, A.' 1 +'Huber, R.' 2 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Structure of bovine pancreatic trypsin inhibitor. Results of joint neutron and X-ray refinement of crystal form II' +J.Mol.Biol. 180 301 329 1984 JMOBAK UK 0022-2836 0070 ? 6210373 '10.1016/S0022-2836(84)80006-6' +1 'Comparison of Two Highly Refined Structures of Bovine Pancreatic Trypsin Inhibitor' +J.Mol.Biol. 193 145 ? 1987 JMOBAK UK 0022-2836 0070 ? ? ? +2 'Pancreatic Trypsin Inhibitor. A New Crystal Form and its Analysis' +J.Mol.Biol. 167 911 ? 1983 JMOBAK UK 0022-2836 0070 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Wlodawer, A.' 1 +primary 'Walter, J.' 2 +primary 'Huber, R.' 3 +primary 'Sjolin, L.' 4 +1 'Wlodawer, A.' 5 +1 'Deisenhofer, J.' 6 +1 'Huber, R.' 7 +2 'Walter, J.' 8 +2 'Huber, R.' 9 +# +_cell.entry_id 5PTI +_cell.length_a 74.100 +_cell.length_b 23.400 +_cell.length_c 28.900 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 4 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 5PTI +_symmetry.space_group_name_H-M 'P 21 21 21' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.details +1 polymer man 'TRYPSIN INHIBITOR' 6527.598 1 ? +2 non-polymer syn 'PHOSPHATE ION' 94.971 1 ? +3 non-polymer syn 'UNKNOWN ATOM OR ION' ? 1 ? +4 water nat water 18.015 63 ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGA +_entity_poly.pdbx_seq_one_letter_code_can RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGA +_entity_poly.pdbx_strand_id A +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 ARG n +1 2 PRO n +1 3 ASP n +1 4 PHE n +1 5 CYS n +1 6 LEU n +1 7 GLU n +1 8 PRO n +1 9 PRO n +1 10 TYR n +1 11 THR n +1 12 GLY n +1 13 PRO n +1 14 CYS n +1 15 LYS n +1 16 ALA n +1 17 ARG n +1 18 ILE n +1 19 ILE n +1 20 ARG n +1 21 TYR n +1 22 PHE n +1 23 TYR n +1 24 ASN n +1 25 ALA n +1 26 LYS n +1 27 ALA n +1 28 GLY n +1 29 LEU n +1 30 CYS n +1 31 GLN n +1 32 THR n +1 33 PHE n +1 34 VAL n +1 35 TYR n +1 36 GLY n +1 37 GLY n +1 38 CYS n +1 39 ARG n +1 40 ALA n +1 41 LYS n +1 42 ARG n +1 43 ASN n +1 44 ASN n +1 45 PHE n +1 46 LYS n +1 47 SER n +1 48 ALA n +1 49 GLU n +1 50 ASP n +1 51 CYS n +1 52 MET n +1 53 ARG n +1 54 THR n +1 55 CYS n +1 56 GLY n +1 57 GLY n +1 58 ALA n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.gene_src_common_name cattle +_entity_src_gen.gene_src_genus Bos +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Bos taurus' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9913 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name ? +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ? +_entity_src_gen.host_org_genus ? +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain ? +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type ? +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.plasmid_name ? +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code BPT1_BOVIN +_struct_ref.entity_id 1 +_struct_ref.pdbx_db_accession P00974 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_seq_one_letter_code +;MKMSRLCLSVALLVLLGTLAASTPGCDTSNQAKAQRPDFCLEPPYTGPCKARIIRYFYNA +KAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGAIGPWENL + +; +_struct_ref.biol_id . +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 5PTI +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 58 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P00974 +_struct_ref_seq.db_align_beg 36 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 93 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 58 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.210 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.132 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.104 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.191 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.154 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.174 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.130 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.120 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.197 +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.094 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.174 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.147 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.207 +PO4 non-polymer . 'PHOSPHATE ION' ? 'O4 P -3' 94.971 +UNX non-polymer . 'UNKNOWN ATOM OR ION' ? X ? +DOD non-polymer . 'DEUTERATED WATER' ? O 18.015 +# +loop_ +_exptl.entry_id +_exptl.method +_exptl.crystals_number +5PTI 'X-RAY DIFFRACTION' ? +5PTI 'NEUTRON DIFFRACTION' ? +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 1.92 +_exptl_crystal.density_percent_sol 35.87 +_exptl_crystal.description ? +# +_refine.entry_id 5PTI +_refine.ls_number_reflns_obs ? +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low ? +_refine.ls_d_res_high 1.0 +_refine.ls_percent_reflns_obs ? +_refine.ls_R_factor_obs ? +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work ? +_refine.ls_R_factor_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_number_reflns_R_free ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[3][3] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][3] ? +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_ls_cross_valid_method ? +_refine.details ? +_refine.pdbx_starting_model ? +_refine.pdbx_method_to_determine_struct ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 909 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 6 +_refine_hist.number_atoms_solvent 189 +_refine_hist.number_atoms_total 1104 +_refine_hist.d_res_high 1.0 +_refine_hist.d_res_low . +# +_struct.entry_id 5PTI +_struct.title +'STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II' +_struct.pdbx_descriptor 'TRYPSIN INHIBITOR (CRYSTAL FORM II)' +_struct.pdbx_model_details ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 5PTI +_struct_keywords.pdbx_keywords 'PROTEINASE INHIBITOR (TRYPSIN)' +_struct_keywords.text 'PROTEINASE INHIBITOR (TRYPSIN)' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 4 ? +# +_struct_biol.id 1 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 H1 PRO A 2 ? GLU A 7 ? PRO A 2 GLU A 7 5 'ALL DONORS,ACCEPTORS INCLUDED' 6 +HELX_P HELX_P2 H2 SER A 47 ? GLY A 56 ? SER A 47 GLY A 56 1 'ALL DONORS,ACCEPTORS INCLUDED' 10 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +disulf1 disulf ? A CYS 5 SG ? ? ? 1_555 A CYS 55 SG ? ? A CYS 5 A CYS 55 1_555 ? ? ? ? ? ? ? 2.043 +disulf2 disulf ? A CYS 14 SG ? ? ? 1_555 A CYS 38 SG ? ? A CYS 14 A CYS 38 1_555 ? ? ? ? ? ? ? 2.030 +disulf3 disulf ? A CYS 30 SG ? ? ? 1_555 A CYS 51 SG ? ? A CYS 30 A CYS 51 1_555 ? ? ? ? ? ? ? 2.022 +# +_struct_conn_type.id disulf +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +_struct_sheet.id S1 +_struct_sheet.type ? +_struct_sheet.number_strands 3 +_struct_sheet.details ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +S1 1 2 ? anti-parallel +S1 2 3 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.symmetry +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +S1 1 LEU A 29 ? TYR A 35 ? ? LEU A 29 TYR A 35 +S1 2 ILE A 18 ? ASN A 24 ? ? ILE A 18 ASN A 24 +S1 3 PHE A 45 ? PHE A 45 ? ? PHE A 45 PHE A 45 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +S1 1 2 O TYR A 35 ? O TYR A 35 N ILE A 18 ? N ILE A 18 +S1 2 3 O TYR A 21 ? O TYR A 21 N PHE A 45 ? N PHE A 45 +# +loop_ +_struct_site.id +_struct_site.details +_struct_site.pdbx_evidence_code +AC1 'BINDING SITE FOR RESIDUE PO4 A 70' SOFTWARE +AC2 'BINDING SITE FOR RESIDUE UNX A 324' SOFTWARE +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 5 ARG A 20 ? ARG A 20 . . 1_555 ? +2 AC1 5 TYR A 35 ? TYR A 35 . . 1_555 ? +3 AC1 5 LYS A 41 ? LYS A 41 . . 3_655 ? +4 AC1 5 DOD D . ? DOD A 140 . . 1_555 ? +5 AC1 5 DOD D . ? DOD A 157 . . 1_555 ? +6 AC2 3 TYR A 23 ? TYR A 23 . . 1_555 ? +7 AC2 3 CYS A 30 ? CYS A 30 . . 1_555 ? +8 AC2 3 MET A 52 ? MET A 52 . . 1_555 ? +# +_database_PDB_matrix.entry_id 5PTI +_database_PDB_matrix.origx[1][1] 0.013495 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 0.042735 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 0.034602 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_atom_sites.entry_id 5PTI +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 0.013495 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.042735 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.034602 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_sites_footnote.id +_atom_sites_footnote.text +1 +;THE ATOMS IN THE SIDE CHAIN OF RESIDUES GLU 7 AND MET 52 WERE FOUND TO OCCUPY TWO MAJOR SITES. THESE ATOMS ARE DENOTED WITH ALTERNATE LOCATION INDICATORS *A* AND *B*. +; +2 'HETATM UNK 324 IS PROBABLY A POTASSIUM ION IN A PARTIALLY OCCUPIED SITE.' +# +loop_ +_atom_type.symbol +N +C +O +D +H +S +P +X +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x_esd +_atom_site.Cartn_y_esd +_atom_site.Cartn_z_esd +_atom_site.occupancy_esd +_atom_site.B_iso_or_equiv_esd +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . ARG A 1 1 ? 32.231 15.281 -13.143 1.00 28.28 ? ? ? ? ? ? 1 ARG A N 1 +ATOM 2 C CA . ARG A 1 1 ? 32.184 14.697 -11.772 1.00 27.90 ? ? ? ? ? ? 1 ARG A CA 1 +ATOM 3 C C . ARG A 1 1 ? 33.438 13.890 -11.387 1.00 24.90 ? ? ? ? ? ? 1 ARG A C 1 +ATOM 4 O O . ARG A 1 1 ? 34.102 13.070 -12.066 1.00 24.44 ? ? ? ? ? ? 1 ARG A O 1 +ATOM 5 C CB . ARG A 1 1 ? 30.797 14.065 -11.625 1.00 27.88 ? ? ? ? ? ? 1 ARG A CB 1 +ATOM 6 C CG . ARG A 1 1 ? 30.976 12.589 -11.819 1.00 29.61 ? ? ? ? ? ? 1 ARG A CG 1 +ATOM 7 C CD . ARG A 1 1 ? 29.608 12.016 -11.694 1.00 31.91 ? ? ? ? ? ? 1 ARG A CD 1 +ATOM 8 N NE . ARG A 1 1 ? 28.942 12.335 -12.945 1.00 33.51 ? ? ? ? ? ? 1 ARG A NE 1 +ATOM 9 C CZ . ARG A 1 1 ? 27.670 12.696 -13.050 1.00 34.29 ? ? ? ? ? ? 1 ARG A CZ 1 +ATOM 10 N NH1 . ARG A 1 1 ? 26.901 12.777 -11.999 1.00 34.48 ? ? ? ? ? ? 1 ARG A NH1 1 +ATOM 11 N NH2 . ARG A 1 1 ? 27.161 12.963 -14.255 1.00 35.44 ? ? ? ? ? ? 1 ARG A NH2 1 +ATOM 12 D D1 . ARG A 1 1 ? 32.983 14.824 -13.703 1.00 27.71 ? ? ? ? ? ? 1 ARG A D1 1 +ATOM 13 D D2 . ARG A 1 1 ? 31.275 15.112 -13.535 1.00 28.50 ? ? ? ? ? ? 1 ARG A D2 1 +ATOM 14 D D3 . ARG A 1 1 ? 32.174 16.346 -13.050 1.00 28.23 ? ? ? ? ? ? 1 ARG A D3 1 +ATOM 15 H HA . ARG A 1 1 ? 32.192 15.563 -11.115 1.00 26.97 ? ? ? ? ? ? 1 ARG A HA 1 +ATOM 16 H HB2 . ARG A 1 1 ? 30.392 14.428 -10.697 1.00 28.71 ? ? ? ? ? ? 1 ARG A HB2 1 +ATOM 17 H HB3 . ARG A 1 1 ? 30.182 14.438 -12.437 1.00 28.97 ? ? ? ? ? ? 1 ARG A HB3 1 +ATOM 18 H HG2 . ARG A 1 1 ? 31.369 12.359 -12.800 1.00 29.44 ? ? ? ? ? ? 1 ARG A HG2 1 +ATOM 19 H HG3 . ARG A 1 1 ? 31.591 12.143 -11.105 1.00 29.52 ? ? ? ? ? ? 1 ARG A HG3 1 +ATOM 20 H HD2 . ARG A 1 1 ? 29.656 10.965 -11.482 1.00 31.41 ? ? ? ? ? ? 1 ARG A HD2 1 +ATOM 21 H HD3 . ARG A 1 1 ? 29.218 12.381 -10.794 1.00 31.29 ? ? ? ? ? ? 1 ARG A HD3 1 +ATOM 22 D DE . ARG A 1 1 ? 29.457 12.292 -13.843 1.00 34.62 ? ? ? ? ? ? 1 ARG A DE 1 +ATOM 23 D DH11 . ARG A 1 1 ? 25.930 13.038 -12.118 1.00 34.80 ? ? ? ? ? ? 1 ARG A DH11 1 +ATOM 24 D DH12 . ARG A 1 1 ? 27.324 12.549 -11.100 1.00 34.71 ? ? ? ? ? ? 1 ARG A DH12 1 +ATOM 25 D DH21 . ARG A 1 1 ? 27.786 12.886 -15.076 1.00 33.93 ? ? ? ? ? ? 1 ARG A DH21 1 +ATOM 26 D DH22 . ARG A 1 1 ? 26.154 13.214 -14.269 1.00 34.53 ? ? ? ? ? ? 1 ARG A DH22 1 +ATOM 27 N N . PRO A 1 2 ? 33.738 14.173 -10.126 1.00 22.41 ? ? ? ? ? ? 2 PRO A N 1 +ATOM 28 C CA . PRO A 1 2 ? 34.897 13.603 -9.390 1.00 19.52 ? ? ? ? ? ? 2 PRO A CA 1 +ATOM 29 C C . PRO A 1 2 ? 34.652 12.135 -9.374 1.00 17.70 ? ? ? ? ? ? 2 PRO A C 1 +ATOM 30 O O . PRO A 1 2 ? 33.583 11.537 -9.255 1.00 16.41 ? ? ? ? ? ? 2 PRO A O 1 +ATOM 31 C CB . PRO A 1 2 ? 34.826 14.292 -8.056 1.00 21.00 ? ? ? ? ? ? 2 PRO A CB 1 +ATOM 32 C CG . PRO A 1 2 ? 33.927 15.515 -8.135 1.00 20.91 ? ? ? ? ? ? 2 PRO A CG 1 +ATOM 33 C CD . PRO A 1 2 ? 32.967 15.143 -9.243 1.00 22.49 ? ? ? ? ? ? 2 PRO A CD 1 +ATOM 34 H HA . PRO A 1 2 ? 35.676 14.152 -9.928 1.00 20.45 ? ? ? ? ? ? 2 PRO A HA 1 +ATOM 35 H HB2 . PRO A 1 2 ? 34.431 13.672 -7.369 1.00 19.62 ? ? ? ? ? ? 2 PRO A HB2 1 +ATOM 36 H HB3 . PRO A 1 2 ? 35.763 14.517 -7.635 1.00 20.71 ? ? ? ? ? ? 2 PRO A HB3 1 +ATOM 37 H HG2 . PRO A 1 2 ? 33.695 15.873 -7.330 1.00 21.92 ? ? ? ? ? ? 2 PRO A HG2 1 +ATOM 38 H HG3 . PRO A 1 2 ? 34.491 16.303 -8.682 1.00 21.93 ? ? ? ? ? ? 2 PRO A HG3 1 +ATOM 39 H HD2 . PRO A 1 2 ? 32.028 14.742 -9.058 1.00 22.01 ? ? ? ? ? ? 2 PRO A HD2 1 +ATOM 40 H HD3 . PRO A 1 2 ? 32.880 16.031 -9.875 1.00 22.06 ? ? ? ? ? ? 2 PRO A HD3 1 +ATOM 41 N N . ASP A 1 3 ? 35.790 11.466 -9.466 1.00 16.15 ? ? ? ? ? ? 3 ASP A N 1 +ATOM 42 C CA . ASP A 1 3 ? 35.837 10.014 -9.507 1.00 17.15 ? ? ? ? ? ? 3 ASP A CA 1 +ATOM 43 C C . ASP A 1 3 ? 35.296 9.402 -8.236 1.00 13.33 ? ? ? ? ? ? 3 ASP A C 1 +ATOM 44 O O . ASP A 1 3 ? 34.812 8.288 -8.260 1.00 12.36 ? ? ? ? ? ? 3 ASP A O 1 +ATOM 45 C CB . ASP A 1 3 ? 37.124 9.634 -10.244 1.00 24.92 ? ? ? ? ? ? 3 ASP A CB 1 +ATOM 46 C CG . ASP A 1 3 ? 36.968 9.957 -11.773 1.00 31.50 ? ? ? ? ? ? 3 ASP A CG 1 +ATOM 47 O OD1 . ASP A 1 3 ? 37.083 11.141 -12.174 1.00 35.71 ? ? ? ? ? ? 3 ASP A OD1 1 +ATOM 48 O OD2 . ASP A 1 3 ? 36.712 9.158 -12.735 1.00 35.43 ? ? ? ? ? ? 3 ASP A OD2 1 +ATOM 49 D D . ASP A 1 3 ? 36.688 11.887 -9.571 1.00 17.62 ? ? ? ? ? ? 3 ASP A D 1 +ATOM 50 H HA . ASP A 1 3 ? 35.144 9.745 -10.321 1.00 17.24 ? ? ? ? ? ? 3 ASP A HA 1 +ATOM 51 H HB2 . ASP A 1 3 ? 37.980 10.245 -10.070 1.00 24.71 ? ? ? ? ? ? 3 ASP A HB2 1 +ATOM 52 H HB3 . ASP A 1 3 ? 37.455 8.626 -10.132 1.00 24.82 ? ? ? ? ? ? 3 ASP A HB3 1 +ATOM 53 N N . PHE A 1 4 ? 35.466 10.210 -7.174 1.00 12.38 ? ? ? ? ? ? 4 PHE A N 1 +ATOM 54 C CA . PHE A 1 4 ? 34.975 9.704 -5.855 1.00 13.61 ? ? ? ? ? ? 4 PHE A CA 1 +ATOM 55 C C . PHE A 1 4 ? 33.438 9.514 -5.843 1.00 13.10 ? ? ? ? ? ? 4 PHE A C 1 +ATOM 56 O O . PHE A 1 4 ? 32.937 8.733 -5.020 1.00 13.82 ? ? ? ? ? ? 4 PHE A O 1 +ATOM 57 C CB . PHE A 1 4 ? 35.435 10.423 -4.613 1.00 12.65 ? ? ? ? ? ? 4 PHE A CB 1 +ATOM 58 C CG . PHE A 1 4 ? 34.960 11.819 -4.512 1.00 12.81 ? ? ? ? ? ? 4 PHE A CG 1 +ATOM 59 C CD1 . PHE A 1 4 ? 33.708 12.036 -3.946 1.00 12.38 ? ? ? ? ? ? 4 PHE A CD1 1 +ATOM 60 C CD2 . PHE A 1 4 ? 35.717 12.897 -4.923 1.00 13.29 ? ? ? ? ? ? 4 PHE A CD2 1 +ATOM 61 C CE1 . PHE A 1 4 ? 33.249 13.321 -3.826 1.00 14.62 ? ? ? ? ? ? 4 PHE A CE1 1 +ATOM 62 C CE2 . PHE A 1 4 ? 35.276 14.180 -4.764 1.00 14.01 ? ? ? ? ? ? 4 PHE A CE2 1 +ATOM 63 C CZ . PHE A 1 4 ? 33.998 14.423 -4.229 1.00 13.69 ? ? ? ? ? ? 4 PHE A CZ 1 +ATOM 64 D D . PHE A 1 4 ? 35.855 11.106 -7.148 1.00 12.61 ? ? ? ? ? ? 4 PHE A D 1 +ATOM 65 H HA . PHE A 1 4 ? 35.473 8.781 -5.789 1.00 13.11 ? ? ? ? ? ? 4 PHE A HA 1 +ATOM 66 H HB2 . PHE A 1 4 ? 34.977 9.863 -3.723 1.00 13.10 ? ? ? ? ? ? 4 PHE A HB2 1 +ATOM 67 H HB3 . PHE A 1 4 ? 36.455 10.163 -4.400 1.00 13.31 ? ? ? ? ? ? 4 PHE A HB3 1 +ATOM 68 H HD1 . PHE A 1 4 ? 33.150 11.213 -3.635 1.00 13.03 ? ? ? ? ? ? 4 PHE A HD1 1 +ATOM 69 H HD2 . PHE A 1 4 ? 36.680 12.699 -5.370 1.00 12.63 ? ? ? ? ? ? 4 PHE A HD2 1 +ATOM 70 H HE1 . PHE A 1 4 ? 32.321 13.499 -3.366 1.00 13.29 ? ? ? ? ? ? 4 PHE A HE1 1 +ATOM 71 H HE2 . PHE A 1 4 ? 35.758 15.036 -5.065 1.00 13.88 ? ? ? ? ? ? 4 PHE A HE2 1 +ATOM 72 H HZ . PHE A 1 4 ? 33.588 15.411 -4.093 1.00 14.46 ? ? ? ? ? ? 4 PHE A HZ 1 +ATOM 73 N N . CYS A 1 5 ? 32.757 10.236 -6.732 1.00 12.49 ? ? ? ? ? ? 5 CYS A N 1 +ATOM 74 C CA . CYS A 1 5 ? 31.286 10.029 -6.794 1.00 10.18 ? ? ? ? ? ? 5 CYS A CA 1 +ATOM 75 C C . CYS A 1 5 ? 30.864 8.652 -7.254 1.00 10.29 ? ? ? ? ? ? 5 CYS A C 1 +ATOM 76 O O . CYS A 1 5 ? 29.690 8.279 -7.116 1.00 10.73 ? ? ? ? ? ? 5 CYS A O 1 +ATOM 77 C CB . CYS A 1 5 ? 30.794 11.065 -7.789 1.00 10.74 ? ? ? ? ? ? 5 CYS A CB 1 +ATOM 78 S SG . CYS A 1 5 ? 31.075 12.797 -7.325 1.00 12.66 ? ? ? ? ? ? 5 CYS A SG 1 +ATOM 79 D D . CYS A 1 5 ? 33.206 10.888 -7.363 1.00 12.80 ? ? ? ? ? ? 5 CYS A D 1 +ATOM 80 H HA . CYS A 1 5 ? 30.964 10.266 -5.800 1.00 10.82 ? ? ? ? ? ? 5 CYS A HA 1 +ATOM 81 H HB2 . CYS A 1 5 ? 31.501 10.869 -8.603 1.00 11.04 ? ? ? ? ? ? 5 CYS A HB2 1 +ATOM 82 H HB3 . CYS A 1 5 ? 29.793 10.892 -8.171 1.00 10.88 ? ? ? ? ? ? 5 CYS A HB3 1 +ATOM 83 N N . LEU A 1 6 ? 31.740 7.909 -7.843 1.00 10.75 ? ? ? ? ? ? 6 LEU A N 1 +ATOM 84 C CA . LEU A 1 6 ? 31.467 6.583 -8.351 1.00 12.75 ? ? ? ? ? ? 6 LEU A CA 1 +ATOM 85 C C . LEU A 1 6 ? 31.799 5.589 -7.246 1.00 13.85 ? ? ? ? ? ? 6 LEU A C 1 +ATOM 86 O O . LEU A 1 6 ? 31.435 4.425 -7.543 1.00 15.33 ? ? ? ? ? ? 6 LEU A O 1 +ATOM 87 C CB . LEU A 1 6 ? 32.345 6.258 -9.563 1.00 14.73 ? ? ? ? ? ? 6 LEU A CB 1 +ATOM 88 C CG . LEU A 1 6 ? 32.299 7.212 -10.787 1.00 16.78 ? ? ? ? ? ? 6 LEU A CG 1 +ATOM 89 C CD1 . LEU A 1 6 ? 33.160 6.693 -11.917 1.00 17.42 ? ? ? ? ? ? 6 LEU A CD1 1 +ATOM 90 C CD2 . LEU A 1 6 ? 30.881 7.341 -11.280 1.00 16.88 ? ? ? ? ? ? 6 LEU A CD2 1 +ATOM 91 D D . LEU A 1 6 ? 32.679 8.218 -7.970 1.00 11.34 ? ? ? ? ? ? 6 LEU A D 1 +ATOM 92 H HA . LEU A 1 6 ? 30.422 6.406 -8.558 1.00 13.62 ? ? ? ? ? ? 6 LEU A HA 1 +ATOM 93 H HB2 . LEU A 1 6 ? 33.392 6.256 -9.245 1.00 14.22 ? ? ? ? ? ? 6 LEU A HB2 1 +ATOM 94 H HB3 . LEU A 1 6 ? 32.141 5.230 -9.918 1.00 14.86 ? ? ? ? ? ? 6 LEU A HB3 1 +ATOM 95 H HG . LEU A 1 6 ? 32.550 8.192 -10.401 1.00 16.74 ? ? ? ? ? ? 6 LEU A HG 1 +ATOM 96 H HD11 . LEU A 1 6 ? 34.189 6.620 -11.585 1.00 17.89 ? ? ? ? ? ? 6 LEU A HD11 1 +ATOM 97 H HD12 . LEU A 1 6 ? 32.719 5.718 -12.170 1.00 17.82 ? ? ? ? ? ? 6 LEU A HD12 1 +ATOM 98 H HD13 . LEU A 1 6 ? 33.064 7.391 -12.752 1.00 17.88 ? ? ? ? ? ? 6 LEU A HD13 1 +ATOM 99 H HD21 . LEU A 1 6 ? 30.328 6.553 -10.667 1.00 16.77 ? ? ? ? ? ? 6 LEU A HD21 1 +ATOM 100 H HD22 . LEU A 1 6 ? 30.078 8.051 -11.126 1.00 17.21 ? ? ? ? ? ? 6 LEU A HD22 1 +ATOM 101 H HD23 . LEU A 1 6 ? 30.861 7.064 -12.332 1.00 16.98 ? ? ? ? ? ? 6 LEU A HD23 1 +ATOM 102 N N . GLU A 1 7 ? 32.397 5.971 -6.128 1.00 12.79 ? ? ? ? ? ? 7 GLU A N 1 +ATOM 103 C CA . GLU A 1 7 ? 32.663 4.924 -5.112 1.00 15.64 ? ? ? ? ? ? 7 GLU A CA 1 +ATOM 104 C C . GLU A 1 7 ? 31.435 4.576 -4.301 1.00 12.90 ? ? ? ? ? ? 7 GLU A C 1 +ATOM 105 O O . GLU A 1 7 ? 30.565 5.427 -4.120 1.00 12.97 ? ? ? ? ? ? 7 GLU A O 1 +ATOM 106 C CB A GLU A 1 7 ? 33.865 5.265 -4.204 0.50 17.43 ? ? ? ? ? ? 7 GLU A CB 1 +ATOM 107 C CB B GLU A 1 7 ? 34.000 4.971 -4.371 0.50 15.43 ? ? ? ? ? ? 7 GLU A CB 1 +ATOM 108 C CG A GLU A 1 7 ? 34.117 6.694 -3.781 0.50 19.72 ? ? ? ? ? ? 7 GLU A CG 1 +ATOM 109 C CG B GLU A 1 7 ? 35.189 5.031 -5.331 0.50 15.96 ? ? ? ? ? ? 7 GLU A CG 1 +ATOM 110 C CD A GLU A 1 7 ? 34.935 7.120 -2.561 0.50 20.46 ? ? ? ? ? ? 7 GLU A CD 1 +ATOM 111 C CD B GLU A 1 7 ? 35.814 3.742 -5.819 0.50 16.40 ? ? ? ? ? ? 7 GLU A CD 1 +ATOM 112 O OE1 A GLU A 1 7 ? 36.104 6.753 -2.502 0.50 22.37 ? ? ? ? ? ? 7 GLU A OE1 1 +ATOM 113 O OE1 B GLU A 1 7 ? 35.348 2.965 -6.631 0.50 16.49 ? ? ? ? ? ? 7 GLU A OE1 1 +ATOM 114 O OE2 A GLU A 1 7 ? 34.267 7.823 -1.815 0.50 18.99 ? ? ? ? ? ? 7 GLU A OE2 1 +ATOM 115 O OE2 B GLU A 1 7 ? 35.846 2.854 -4.979 0.50 16.88 ? ? ? ? ? ? 7 GLU A OE2 1 +ATOM 116 D D . GLU A 1 7 ? 32.631 6.879 -5.916 1.00 13.33 ? ? ? ? ? ? 7 GLU A D 1 +ATOM 117 H HA . GLU A 1 7 ? 32.837 4.055 -5.770 1.00 14.63 ? ? ? ? ? ? 7 GLU A HA 1 +ATOM 118 H HB2 A GLU A 1 7 ? 33.913 4.637 -3.325 0.50 18.60 ? ? ? ? ? ? 7 GLU A HB2 1 +ATOM 119 H HB2 B GLU A 1 7 ? 34.007 5.833 -3.693 0.50 15.91 ? ? ? ? ? ? 7 GLU A HB2 1 +ATOM 120 H HB3 A GLU A 1 7 ? 34.757 4.929 -4.809 0.50 17.98 ? ? ? ? ? ? 7 GLU A HB3 1 +ATOM 121 H HB3 B GLU A 1 7 ? 34.147 4.095 -3.748 0.50 15.98 ? ? ? ? ? ? 7 GLU A HB3 1 +ATOM 122 H HG2 A GLU A 1 7 ? 34.689 7.248 -4.538 0.50 19.95 ? ? ? ? ? ? 7 GLU A HG2 1 +ATOM 123 H HG2 B GLU A 1 7 ? 34.911 5.551 -6.241 0.50 15.98 ? ? ? ? ? ? 7 GLU A HG2 1 +ATOM 124 H HG3 A GLU A 1 7 ? 33.221 7.296 -3.671 0.50 19.64 ? ? ? ? ? ? 7 GLU A HG3 1 +ATOM 125 H HG3 B GLU A 1 7 ? 35.976 5.605 -4.862 0.50 16.05 ? ? ? ? ? ? 7 GLU A HG3 1 +ATOM 126 N N . PRO A 1 8 ? 31.351 3.333 -3.911 1.00 13.23 ? ? ? ? ? ? 8 PRO A N 1 +ATOM 127 C CA . PRO A 1 8 ? 30.224 2.852 -3.086 1.00 13.50 ? ? ? ? ? ? 8 PRO A CA 1 +ATOM 128 C C . PRO A 1 8 ? 30.334 3.516 -1.707 1.00 12.26 ? ? ? ? ? ? 8 PRO A C 1 +ATOM 129 O O . PRO A 1 8 ? 31.391 3.997 -1.293 1.00 11.77 ? ? ? ? ? ? 8 PRO A O 1 +ATOM 130 C CB . PRO A 1 8 ? 30.283 1.334 -2.995 1.00 15.10 ? ? ? ? ? ? 8 PRO A CB 1 +ATOM 131 C CG . PRO A 1 8 ? 31.757 1.097 -3.199 1.00 16.05 ? ? ? ? ? ? 8 PRO A CG 1 +ATOM 132 C CD . PRO A 1 8 ? 32.313 2.218 -4.085 1.00 15.37 ? ? ? ? ? ? 8 PRO A CD 1 +ATOM 133 H HA . PRO A 1 8 ? 29.270 3.086 -3.515 1.00 13.91 ? ? ? ? ? ? 8 PRO A HA 1 +ATOM 134 H HB2 . PRO A 1 8 ? 29.909 0.979 -2.059 1.00 15.27 ? ? ? ? ? ? 8 PRO A HB2 1 +ATOM 135 H HB3 . PRO A 1 8 ? 29.773 0.877 -3.721 1.00 15.88 ? ? ? ? ? ? 8 PRO A HB3 1 +ATOM 136 H HG2 . PRO A 1 8 ? 32.262 1.339 -2.263 1.00 15.42 ? ? ? ? ? ? 8 PRO A HG2 1 +ATOM 137 H HG3 . PRO A 1 8 ? 31.885 0.245 -3.473 1.00 15.73 ? ? ? ? ? ? 8 PRO A HG3 1 +ATOM 138 H HD2 . PRO A 1 8 ? 33.271 2.433 -3.655 1.00 14.70 ? ? ? ? ? ? 8 PRO A HD2 1 +ATOM 139 H HD3 . PRO A 1 8 ? 32.442 2.084 -5.129 1.00 13.81 ? ? ? ? ? ? 8 PRO A HD3 1 +ATOM 140 N N . PRO A 1 9 ? 29.200 3.631 -1.017 1.00 11.39 ? ? ? ? ? ? 9 PRO A N 1 +ATOM 141 C CA . PRO A 1 9 ? 29.160 4.238 0.321 1.00 11.12 ? ? ? ? ? ? 9 PRO A CA 1 +ATOM 142 C C . PRO A 1 9 ? 29.993 3.377 1.274 1.00 10.17 ? ? ? ? ? ? 9 PRO A C 1 +ATOM 143 O O . PRO A 1 9 ? 30.074 2.152 1.156 1.00 12.88 ? ? ? ? ? ? 9 PRO A O 1 +ATOM 144 C CB . PRO A 1 9 ? 27.687 4.418 0.604 1.00 11.43 ? ? ? ? ? ? 9 PRO A CB 1 +ATOM 145 C CG . PRO A 1 9 ? 27.075 3.186 -0.051 1.00 12.21 ? ? ? ? ? ? 9 PRO A CG 1 +ATOM 146 C CD . PRO A 1 9 ? 27.842 3.087 -1.403 1.00 11.84 ? ? ? ? ? ? 9 PRO A CD 1 +ATOM 147 H HA . PRO A 1 9 ? 29.948 4.895 0.524 1.00 11.67 ? ? ? ? ? ? 9 PRO A HA 1 +ATOM 148 H HB2 . PRO A 1 9 ? 27.561 4.500 1.669 1.00 11.73 ? ? ? ? ? ? 9 PRO A HB2 1 +ATOM 149 H HB3 . PRO A 1 9 ? 27.101 5.216 0.385 1.00 11.99 ? ? ? ? ? ? 9 PRO A HB3 1 +ATOM 150 H HG2 . PRO A 1 9 ? 27.438 2.371 0.555 1.00 12.56 ? ? ? ? ? ? 9 PRO A HG2 1 +ATOM 151 H HG3 . PRO A 1 9 ? 26.185 3.227 -0.191 1.00 12.62 ? ? ? ? ? ? 9 PRO A HG3 1 +ATOM 152 H HD2 . PRO A 1 9 ? 28.020 2.060 -1.684 1.00 12.42 ? ? ? ? ? ? 9 PRO A HD2 1 +ATOM 153 H HD3 . PRO A 1 9 ? 27.381 3.649 -2.145 1.00 12.15 ? ? ? ? ? ? 9 PRO A HD3 1 +ATOM 154 N N . TYR A 1 10 ? 30.651 4.022 2.200 1.00 9.53 ? ? ? ? ? ? 10 TYR A N 1 +ATOM 155 C CA . TYR A 1 10 ? 31.512 3.320 3.156 1.00 10.73 ? ? ? ? ? ? 10 TYR A CA 1 +ATOM 156 C C . TYR A 1 10 ? 31.044 3.577 4.617 1.00 9.35 ? ? ? ? ? ? 10 TYR A C 1 +ATOM 157 O O . TYR A 1 10 ? 31.146 4.687 5.117 1.00 9.61 ? ? ? ? ? ? 10 TYR A O 1 +ATOM 158 C CB . TYR A 1 10 ? 32.937 3.888 2.901 1.00 12.55 ? ? ? ? ? ? 10 TYR A CB 1 +ATOM 159 C CG . TYR A 1 10 ? 33.970 3.270 3.808 1.00 14.36 ? ? ? ? ? ? 10 TYR A CG 1 +ATOM 160 C CD1 . TYR A 1 10 ? 34.254 1.932 3.622 1.00 16.08 ? ? ? ? ? ? 10 TYR A CD1 1 +ATOM 161 C CD2 . TYR A 1 10 ? 34.619 4.002 4.797 1.00 14.93 ? ? ? ? ? ? 10 TYR A CD2 1 +ATOM 162 C CE1 . TYR A 1 10 ? 35.226 1.305 4.406 1.00 16.73 ? ? ? ? ? ? 10 TYR A CE1 1 +ATOM 163 C CE2 . TYR A 1 10 ? 35.621 3.422 5.573 1.00 15.90 ? ? ? ? ? ? 10 TYR A CE2 1 +ATOM 164 C CZ . TYR A 1 10 ? 35.896 2.071 5.383 1.00 17.33 ? ? ? ? ? ? 10 TYR A CZ 1 +ATOM 165 O OH . TYR A 1 10 ? 36.861 1.438 6.195 1.00 19.17 ? ? ? ? ? ? 10 TYR A OH 1 +ATOM 166 D D . TYR A 1 10 ? 30.552 5.011 2.208 1.00 11.16 ? ? ? ? ? ? 10 TYR A D 1 +ATOM 167 H HA . TYR A 1 10 ? 31.496 2.274 3.038 1.00 9.89 ? ? ? ? ? ? 10 TYR A HA 1 +ATOM 168 H HB2 . TYR A 1 10 ? 33.209 3.682 1.839 1.00 12.54 ? ? ? ? ? ? 10 TYR A HB2 1 +ATOM 169 H HB3 . TYR A 1 10 ? 32.886 4.980 2.956 1.00 13.38 ? ? ? ? ? ? 10 TYR A HB3 1 +ATOM 170 H HD1 . TYR A 1 10 ? 33.815 1.318 2.852 1.00 15.57 ? ? ? ? ? ? 10 TYR A HD1 1 +ATOM 171 H HD2 . TYR A 1 10 ? 34.400 5.053 4.955 1.00 15.82 ? ? ? ? ? ? 10 TYR A HD2 1 +ATOM 172 H HE1 . TYR A 1 10 ? 35.521 0.270 4.282 1.00 17.01 ? ? ? ? ? ? 10 TYR A HE1 1 +ATOM 173 H HE2 . TYR A 1 10 ? 36.108 3.926 6.391 1.00 16.44 ? ? ? ? ? ? 10 TYR A HE2 1 +ATOM 174 D DH . TYR A 1 10 ? 37.454 0.912 5.573 1.00 18.49 ? ? ? ? ? ? 10 TYR A DH 1 +ATOM 175 N N . THR A 1 11 ? 30.520 2.576 5.235 1.00 10.38 ? ? ? ? ? ? 11 THR A N 1 +ATOM 176 C CA . THR A 1 11 ? 30.045 2.720 6.641 1.00 12.46 ? ? ? ? ? ? 11 THR A CA 1 +ATOM 177 C C . THR A 1 11 ? 31.223 2.838 7.584 1.00 11.29 ? ? ? ? ? ? 11 THR A C 1 +ATOM 178 O O . THR A 1 11 ? 31.192 3.641 8.497 1.00 11.82 ? ? ? ? ? ? 11 THR A O 1 +ATOM 179 C CB . THR A 1 11 ? 29.228 1.496 7.037 1.00 13.67 ? ? ? ? ? ? 11 THR A CB 1 +ATOM 180 O OG1 . THR A 1 11 ? 28.069 1.656 6.232 1.00 15.23 ? ? ? ? ? ? 11 THR A OG1 1 +ATOM 181 C CG2 . THR A 1 11 ? 28.852 1.446 8.517 1.00 14.27 ? ? ? ? ? ? 11 THR A CG2 1 +ATOM 182 D D . THR A 1 11 ? 30.436 1.643 4.870 1.00 10.49 ? ? ? ? ? ? 11 THR A D 1 +ATOM 183 H HA . THR A 1 11 ? 29.423 3.601 6.562 1.00 11.61 ? ? ? ? ? ? 11 THR A HA 1 +ATOM 184 H HB . THR A 1 11 ? 29.870 0.631 6.788 1.00 14.33 ? ? ? ? ? ? 11 THR A HB 1 +ATOM 185 D DG1 . THR A 1 11 ? 27.430 2.351 6.648 1.00 13.46 ? ? ? ? ? ? 11 THR A DG1 1 +ATOM 186 H HG21 . THR A 1 11 ? 28.326 2.341 8.826 1.00 14.24 ? ? ? ? ? ? 11 THR A HG21 1 +ATOM 187 H HG22 . THR A 1 11 ? 28.145 0.662 8.885 1.00 14.01 ? ? ? ? ? ? 11 THR A HG22 1 +ATOM 188 H HG23 . THR A 1 11 ? 29.753 1.305 9.111 1.00 14.17 ? ? ? ? ? ? 11 THR A HG23 1 +ATOM 189 N N . GLY A 1 12 ? 32.251 2.091 7.350 1.00 12.43 ? ? ? ? ? ? 12 GLY A N 1 +ATOM 190 C CA . GLY A 1 12 ? 33.523 2.128 8.130 1.00 13.15 ? ? ? ? ? ? 12 GLY A CA 1 +ATOM 191 C C . GLY A 1 12 ? 33.399 1.159 9.309 1.00 12.80 ? ? ? ? ? ? 12 GLY A C 1 +ATOM 192 O O . GLY A 1 12 ? 32.437 0.461 9.511 1.00 12.30 ? ? ? ? ? ? 12 GLY A O 1 +ATOM 193 D D . GLY A 1 12 ? 32.396 1.396 6.648 1.00 13.32 ? ? ? ? ? ? 12 GLY A D 1 +ATOM 194 H HA2 . GLY A 1 12 ? 34.329 1.947 7.445 1.00 12.98 ? ? ? ? ? ? 12 GLY A HA2 1 +ATOM 195 H HA3 . GLY A 1 12 ? 33.702 3.161 8.474 1.00 12.73 ? ? ? ? ? ? 12 GLY A HA3 1 +ATOM 196 N N . PRO A 1 13 ? 34.502 1.082 10.072 1.00 14.49 ? ? ? ? ? ? 13 PRO A N 1 +ATOM 197 C CA . PRO A 1 13 ? 34.519 0.168 11.227 1.00 13.95 ? ? ? ? ? ? 13 PRO A CA 1 +ATOM 198 C C . PRO A 1 13 ? 33.916 0.539 12.596 1.00 13.29 ? ? ? ? ? ? 13 PRO A C 1 +ATOM 199 O O . PRO A 1 13 ? 33.930 -0.237 13.544 1.00 14.10 ? ? ? ? ? ? 13 PRO A O 1 +ATOM 200 C CB . PRO A 1 13 ? 36.012 -0.082 11.370 1.00 13.23 ? ? ? ? ? ? 13 PRO A CB 1 +ATOM 201 C CG . PRO A 1 13 ? 36.631 1.239 10.992 1.00 14.60 ? ? ? ? ? ? 13 PRO A CG 1 +ATOM 202 C CD . PRO A 1 13 ? 35.765 1.879 9.928 1.00 13.98 ? ? ? ? ? ? 13 PRO A CD 1 +ATOM 203 H HA . PRO A 1 13 ? 33.847 -0.643 11.074 1.00 14.35 ? ? ? ? ? ? 13 PRO A HA 1 +ATOM 204 H HB2 . PRO A 1 13 ? 36.119 -0.140 12.472 1.00 14.34 ? ? ? ? ? ? 13 PRO A HB2 1 +ATOM 205 H HB3 . PRO A 1 13 ? 36.450 -0.937 11.151 1.00 15.01 ? ? ? ? ? ? 13 PRO A HB3 1 +ATOM 206 H HG2 . PRO A 1 13 ? 36.465 1.829 11.916 1.00 14.42 ? ? ? ? ? ? 13 PRO A HG2 1 +ATOM 207 H HG3 . PRO A 1 13 ? 37.553 1.200 10.948 1.00 14.14 ? ? ? ? ? ? 13 PRO A HG3 1 +ATOM 208 H HD2 . PRO A 1 13 ? 35.329 2.839 10.245 1.00 15.29 ? ? ? ? ? ? 13 PRO A HD2 1 +ATOM 209 H HD3 . PRO A 1 13 ? 36.248 1.923 9.001 1.00 14.83 ? ? ? ? ? ? 13 PRO A HD3 1 +ATOM 210 N N . CYS A 1 14 ? 33.434 1.727 12.750 1.00 12.13 ? ? ? ? ? ? 14 CYS A N 1 +ATOM 211 C CA . CYS A 1 14 ? 32.817 2.337 13.956 1.00 13.10 ? ? ? ? ? ? 14 CYS A CA 1 +ATOM 212 C C . CYS A 1 14 ? 31.326 1.931 13.983 1.00 14.28 ? ? ? ? ? ? 14 CYS A C 1 +ATOM 213 O O . CYS A 1 14 ? 30.770 1.555 12.956 1.00 14.31 ? ? ? ? ? ? 14 CYS A O 1 +ATOM 214 C CB . CYS A 1 14 ? 33.176 3.792 14.087 1.00 11.97 ? ? ? ? ? ? 14 CYS A CB 1 +ATOM 215 S SG . CYS A 1 14 ? 34.877 4.044 14.560 1.00 12.63 ? ? ? ? ? ? 14 CYS A SG 1 +ATOM 216 D D . CYS A 1 14 ? 33.427 2.362 11.996 1.00 13.25 ? ? ? ? ? ? 14 CYS A D 1 +ATOM 217 H HA . CYS A 1 14 ? 33.224 1.848 14.827 1.00 13.16 ? ? ? ? ? ? 14 CYS A HA 1 +ATOM 218 H HB2 . CYS A 1 14 ? 33.021 4.260 13.114 1.00 13.49 ? ? ? ? ? ? 14 CYS A HB2 1 +ATOM 219 H HB3 . CYS A 1 14 ? 32.555 4.350 14.792 1.00 13.18 ? ? ? ? ? ? 14 CYS A HB3 1 +ATOM 220 N N . LYS A 1 15 ? 30.797 1.938 15.212 1.00 15.59 ? ? ? ? ? ? 15 LYS A N 1 +ATOM 221 C CA . LYS A 1 15 ? 29.455 1.371 15.454 1.00 16.40 ? ? ? ? ? ? 15 LYS A CA 1 +ATOM 222 C C . LYS A 1 15 ? 28.360 2.334 15.735 1.00 14.53 ? ? ? ? ? ? 15 LYS A C 1 +ATOM 223 O O . LYS A 1 15 ? 27.329 1.956 16.299 1.00 16.12 ? ? ? ? ? ? 15 LYS A O 1 +ATOM 224 C CB . LYS A 1 15 ? 29.669 0.354 16.551 1.00 20.41 ? ? ? ? ? ? 15 LYS A CB 1 +ATOM 225 C CG . LYS A 1 15 ? 30.972 -0.476 16.541 1.00 23.07 ? ? ? ? ? ? 15 LYS A CG 1 +ATOM 226 C CD . LYS A 1 15 ? 30.959 -1.503 15.478 1.00 26.62 ? ? ? ? ? ? 15 LYS A CD 1 +ATOM 227 C CE . LYS A 1 15 ? 32.296 -2.170 15.136 1.00 30.12 ? ? ? ? ? ? 15 LYS A CE 1 +ATOM 228 N NZ . LYS A 1 15 ? 31.836 -3.309 14.215 1.00 33.66 ? ? ? ? ? ? 15 LYS A NZ 1 +ATOM 229 D D . LYS A 1 15 ? 31.295 2.148 16.031 1.00 14.44 ? ? ? ? ? ? 15 LYS A D 1 +ATOM 230 H HA . LYS A 1 15 ? 29.255 0.802 14.539 1.00 16.86 ? ? ? ? ? ? 15 LYS A HA 1 +ATOM 231 H HB2 . LYS A 1 15 ? 29.799 0.904 17.523 1.00 20.00 ? ? ? ? ? ? 15 LYS A HB2 1 +ATOM 232 H HB3 . LYS A 1 15 ? 28.831 -0.272 16.908 1.00 19.65 ? ? ? ? ? ? 15 LYS A HB3 1 +ATOM 233 H HG2 . LYS A 1 15 ? 31.824 0.190 16.751 1.00 23.69 ? ? ? ? ? ? 15 LYS A HG2 1 +ATOM 234 H HG3 . LYS A 1 15 ? 30.934 -0.947 17.555 1.00 23.35 ? ? ? ? ? ? 15 LYS A HG3 1 +ATOM 235 H HD2 . LYS A 1 15 ? 30.314 -2.379 15.590 1.00 26.65 ? ? ? ? ? ? 15 LYS A HD2 1 +ATOM 236 H HD3 . LYS A 1 15 ? 30.655 -1.058 14.485 1.00 26.43 ? ? ? ? ? ? 15 LYS A HD3 1 +ATOM 237 H HE2 . LYS A 1 15 ? 32.766 -1.611 14.351 1.00 30.52 ? ? ? ? ? ? 15 LYS A HE2 1 +ATOM 238 H HE3 . LYS A 1 15 ? 32.769 -2.717 15.928 1.00 30.42 ? ? ? ? ? ? 15 LYS A HE3 1 +ATOM 239 D DZ1 . LYS A 1 15 ? 31.352 -2.960 13.354 1.00 32.81 ? ? ? ? ? ? 15 LYS A DZ1 1 +ATOM 240 D DZ2 . LYS A 1 15 ? 32.722 -3.881 14.018 1.00 33.31 ? ? ? ? ? ? 15 LYS A DZ2 1 +ATOM 241 D DZ3 . LYS A 1 15 ? 31.212 -4.018 14.678 1.00 32.78 ? ? ? ? ? ? 15 LYS A DZ3 1 +ATOM 242 N N . ALA A 1 16 ? 28.538 3.555 15.339 1.00 12.01 ? ? ? ? ? ? 16 ALA A N 1 +ATOM 243 C CA . ALA A 1 16 ? 27.519 4.598 15.454 1.00 12.90 ? ? ? ? ? ? 16 ALA A CA 1 +ATOM 244 C C . ALA A 1 16 ? 26.498 4.287 14.310 1.00 12.51 ? ? ? ? ? ? 16 ALA A C 1 +ATOM 245 O O . ALA A 1 16 ? 26.836 3.476 13.402 1.00 13.19 ? ? ? ? ? ? 16 ALA A O 1 +ATOM 246 C CB . ALA A 1 16 ? 27.988 6.045 15.277 1.00 11.07 ? ? ? ? ? ? 16 ALA A CB 1 +ATOM 247 D D . ALA A 1 16 ? 29.382 3.725 14.844 1.00 15.12 ? ? ? ? ? ? 16 ALA A D 1 +ATOM 248 H HA . ALA A 1 16 ? 27.005 4.610 16.375 1.00 11.30 ? ? ? ? ? ? 16 ALA A HA 1 +ATOM 249 H HB1 . ALA A 1 16 ? 28.805 6.350 15.920 1.00 12.51 ? ? ? ? ? ? 16 ALA A HB1 1 +ATOM 250 H HB2 . ALA A 1 16 ? 28.517 6.226 14.332 1.00 12.25 ? ? ? ? ? ? 16 ALA A HB2 1 +ATOM 251 H HB3 . ALA A 1 16 ? 27.104 6.681 15.367 1.00 12.27 ? ? ? ? ? ? 16 ALA A HB3 1 +ATOM 252 N N . ARG A 1 17 ? 25.365 4.924 14.324 1.00 12.27 ? ? ? ? ? ? 17 ARG A N 1 +ATOM 253 C CA . ARG A 1 17 ? 24.373 4.865 13.248 1.00 13.57 ? ? ? ? ? ? 17 ARG A CA 1 +ATOM 254 C C . ARG A 1 17 ? 24.031 6.307 12.896 1.00 11.67 ? ? ? ? ? ? 17 ARG A C 1 +ATOM 255 O O . ARG A 1 17 ? 23.100 6.914 13.431 1.00 13.64 ? ? ? ? ? ? 17 ARG A O 1 +ATOM 256 C CB . ARG A 1 17 ? 23.121 4.138 13.566 1.00 15.95 ? ? ? ? ? ? 17 ARG A CB 1 +ATOM 257 C CG . ARG A 1 17 ? 23.529 2.682 13.790 1.00 21.32 ? ? ? ? ? ? 17 ARG A CG 1 +ATOM 258 C CD . ARG A 1 17 ? 22.243 2.045 14.156 1.00 25.64 ? ? ? ? ? ? 17 ARG A CD 1 +ATOM 259 N NE . ARG A 1 17 ? 21.702 1.586 12.894 1.00 32.90 ? ? ? ? ? ? 17 ARG A NE 1 +ATOM 260 C CZ . ARG A 1 17 ? 20.864 1.665 11.854 1.00 35.77 ? ? ? ? ? ? 17 ARG A CZ 1 +ATOM 261 N NH1 . ARG A 1 17 ? 19.924 2.628 11.721 1.00 36.79 ? ? ? ? ? ? 17 ARG A NH1 1 +ATOM 262 N NH2 . ARG A 1 17 ? 20.970 0.717 10.868 1.00 36.81 ? ? ? ? ? ? 17 ARG A NH2 1 +ATOM 263 D D . ARG A 1 17 ? 25.215 5.619 15.055 1.00 13.85 ? ? ? ? ? ? 17 ARG A D 1 +ATOM 264 H HA . ARG A 1 17 ? 24.803 4.465 12.336 1.00 12.52 ? ? ? ? ? ? 17 ARG A HA 1 +ATOM 265 H HB2 . ARG A 1 17 ? 22.566 4.456 14.456 1.00 17.10 ? ? ? ? ? ? 17 ARG A HB2 1 +ATOM 266 H HB3 . ARG A 1 17 ? 22.446 4.306 12.740 1.00 17.01 ? ? ? ? ? ? 17 ARG A HB3 1 +ATOM 267 H HG2 . ARG A 1 17 ? 24.096 2.201 13.028 1.00 20.76 ? ? ? ? ? ? 17 ARG A HG2 1 +ATOM 268 H HG3 . ARG A 1 17 ? 24.162 2.597 14.652 1.00 20.12 ? ? ? ? ? ? 17 ARG A HG3 1 +ATOM 269 H HD2 . ARG A 1 17 ? 22.509 1.196 14.762 1.00 27.02 ? ? ? ? ? ? 17 ARG A HD2 1 +ATOM 270 H HD3 . ARG A 1 17 ? 21.617 2.668 14.729 1.00 26.69 ? ? ? ? ? ? 17 ARG A HD3 1 +ATOM 271 D DE . ARG A 1 17 ? 22.338 0.732 12.765 1.00 34.58 ? ? ? ? ? ? 17 ARG A DE 1 +ATOM 272 D DH11 . ARG A 1 17 ? 19.809 3.376 12.418 1.00 35.94 ? ? ? ? ? ? 17 ARG A DH11 1 +ATOM 273 D DH12 . ARG A 1 17 ? 19.300 2.647 10.901 1.00 35.75 ? ? ? ? ? ? 17 ARG A DH12 1 +ATOM 274 D DH21 . ARG A 1 17 ? 21.641 -0.055 10.942 1.00 35.56 ? ? ? ? ? ? 17 ARG A DH21 1 +ATOM 275 D DH22 . ARG A 1 17 ? 20.319 0.741 10.088 1.00 35.91 ? ? ? ? ? ? 17 ARG A DH22 1 +ATOM 276 N N . ILE A 1 18 ? 24.783 6.955 12.017 1.00 10.78 ? ? ? ? ? ? 18 ILE A N 1 +ATOM 277 C CA . ILE A 1 18 ? 24.709 8.341 11.537 1.00 10.61 ? ? ? ? ? ? 18 ILE A CA 1 +ATOM 278 C C . ILE A 1 18 ? 24.204 8.278 10.079 1.00 10.94 ? ? ? ? ? ? 18 ILE A C 1 +ATOM 279 O O . ILE A 1 18 ? 24.876 7.679 9.249 1.00 10.62 ? ? ? ? ? ? 18 ILE A O 1 +ATOM 280 C CB . ILE A 1 18 ? 26.042 9.082 11.623 1.00 11.97 ? ? ? ? ? ? 18 ILE A CB 1 +ATOM 281 C CG1 . ILE A 1 18 ? 26.652 9.020 13.051 1.00 13.12 ? ? ? ? ? ? 18 ILE A CG1 1 +ATOM 282 C CG2 . ILE A 1 18 ? 25.974 10.525 11.176 1.00 10.95 ? ? ? ? ? ? 18 ILE A CG2 1 +ATOM 283 C CD1 . ILE A 1 18 ? 28.148 9.276 13.084 1.00 13.42 ? ? ? ? ? ? 18 ILE A CD1 1 +ATOM 284 H H . ILE A 1 18 ? 25.549 6.401 11.624 1.00 11.76 ? ? ? ? ? ? 18 ILE A H 1 +ATOM 285 H HA . ILE A 1 18 ? 24.000 8.847 12.188 1.00 11.05 ? ? ? ? ? ? 18 ILE A HA 1 +ATOM 286 H HB . ILE A 1 18 ? 26.865 8.594 11.118 1.00 11.50 ? ? ? ? ? ? 18 ILE A HB 1 +ATOM 287 H HG12 . ILE A 1 18 ? 25.954 9.414 13.777 1.00 13.26 ? ? ? ? ? ? 18 ILE A HG12 1 +ATOM 288 H HG13 . ILE A 1 18 ? 26.548 7.951 13.380 1.00 13.89 ? ? ? ? ? ? 18 ILE A HG13 1 +ATOM 289 H HG21 . ILE A 1 18 ? 25.331 10.602 10.286 1.00 11.59 ? ? ? ? ? ? 18 ILE A HG21 1 +ATOM 290 H HG22 . ILE A 1 18 ? 25.493 11.179 11.921 1.00 12.37 ? ? ? ? ? ? 18 ILE A HG22 1 +ATOM 291 H HG23 . ILE A 1 18 ? 26.964 10.890 10.940 1.00 12.46 ? ? ? ? ? ? 18 ILE A HG23 1 +ATOM 292 H HD11 . ILE A 1 18 ? 28.535 10.191 12.656 1.00 14.38 ? ? ? ? ? ? 18 ILE A HD11 1 +ATOM 293 H HD12 . ILE A 1 18 ? 28.455 8.952 14.098 1.00 13.86 ? ? ? ? ? ? 18 ILE A HD12 1 +ATOM 294 H HD13 . ILE A 1 18 ? 28.699 8.514 12.441 1.00 13.73 ? ? ? ? ? ? 18 ILE A HD13 1 +ATOM 295 N N . ILE A 1 19 ? 23.050 8.866 9.854 1.00 10.63 ? ? ? ? ? ? 19 ILE A N 1 +ATOM 296 C CA . ILE A 1 19 ? 22.472 8.852 8.467 1.00 11.65 ? ? ? ? ? ? 19 ILE A CA 1 +ATOM 297 C C . ILE A 1 19 ? 23.093 9.970 7.681 1.00 10.38 ? ? ? ? ? ? 19 ILE A C 1 +ATOM 298 O O . ILE A 1 19 ? 23.078 11.156 8.055 1.00 12.22 ? ? ? ? ? ? 19 ILE A O 1 +ATOM 299 C CB . ILE A 1 19 ? 20.954 9.049 8.496 1.00 13.30 ? ? ? ? ? ? 19 ILE A CB 1 +ATOM 300 C CG1 . ILE A 1 19 ? 20.478 7.843 9.308 1.00 15.24 ? ? ? ? ? ? 19 ILE A CG1 1 +ATOM 301 C CG2 . ILE A 1 19 ? 20.383 9.074 7.118 1.00 13.64 ? ? ? ? ? ? 19 ILE A CG2 1 +ATOM 302 C CD1 . ILE A 1 19 ? 21.047 6.435 9.116 1.00 16.83 ? ? ? ? ? ? 19 ILE A CD1 1 +ATOM 303 D D . ILE A 1 19 ? 22.527 9.412 10.455 1.00 10.47 ? ? ? ? ? ? 19 ILE A D 1 +ATOM 304 H HA . ILE A 1 19 ? 22.918 7.937 8.132 1.00 10.97 ? ? ? ? ? ? 19 ILE A HA 1 +ATOM 305 H HB . ILE A 1 19 ? 20.852 10.028 8.952 1.00 14.17 ? ? ? ? ? ? 19 ILE A HB 1 +ATOM 306 H HG12 . ILE A 1 19 ? 20.631 8.038 10.370 1.00 15.45 ? ? ? ? ? ? 19 ILE A HG12 1 +ATOM 307 H HG13 . ILE A 1 19 ? 19.392 7.700 9.202 1.00 15.29 ? ? ? ? ? ? 19 ILE A HG13 1 +ATOM 308 H HG21 . ILE A 1 19 ? 20.776 8.130 6.682 1.00 13.57 ? ? ? ? ? ? 19 ILE A HG21 1 +ATOM 309 H HG22 . ILE A 1 19 ? 19.302 8.957 7.044 1.00 13.63 ? ? ? ? ? ? 19 ILE A HG22 1 +ATOM 310 H HG23 . ILE A 1 19 ? 20.641 9.847 6.406 1.00 14.10 ? ? ? ? ? ? 19 ILE A HG23 1 +ATOM 311 H HD11 . ILE A 1 19 ? 22.105 6.190 9.208 1.00 15.89 ? ? ? ? ? ? 19 ILE A HD11 1 +ATOM 312 H HD12 . ILE A 1 19 ? 20.411 5.657 9.580 1.00 16.70 ? ? ? ? ? ? 19 ILE A HD12 1 +ATOM 313 H HD13 . ILE A 1 19 ? 20.856 6.216 8.025 1.00 15.33 ? ? ? ? ? ? 19 ILE A HD13 1 +ATOM 314 N N . ARG A 1 20 ? 23.726 9.516 6.564 1.00 10.55 ? ? ? ? ? ? 20 ARG A N 1 +ATOM 315 C CA . ARG A 1 20 ? 24.442 10.455 5.670 1.00 10.78 ? ? ? ? ? ? 20 ARG A CA 1 +ATOM 316 C C . ARG A 1 20 ? 23.927 10.184 4.206 1.00 9.27 ? ? ? ? ? ? 20 ARG A C 1 +ATOM 317 O O . ARG A 1 20 ? 23.300 9.191 3.965 1.00 10.69 ? ? ? ? ? ? 20 ARG A O 1 +ATOM 318 C CB . ARG A 1 20 ? 25.962 10.178 5.691 1.00 9.44 ? ? ? ? ? ? 20 ARG A CB 1 +ATOM 319 C CG . ARG A 1 20 ? 26.624 10.625 7.025 1.00 10.78 ? ? ? ? ? ? 20 ARG A CG 1 +ATOM 320 C CD . ARG A 1 20 ? 26.683 12.084 7.147 1.00 12.14 ? ? ? ? ? ? 20 ARG A CD 1 +ATOM 321 N NE . ARG A 1 20 ? 27.301 12.496 8.436 1.00 13.47 ? ? ? ? ? ? 20 ARG A NE 1 +ATOM 322 C CZ . ARG A 1 20 ? 28.569 12.515 8.793 1.00 14.63 ? ? ? ? ? ? 20 ARG A CZ 1 +ATOM 323 N NH1 . ARG A 1 20 ? 29.528 12.120 7.954 1.00 14.38 ? ? ? ? ? ? 20 ARG A NH1 1 +ATOM 324 N NH2 . ARG A 1 20 ? 28.880 12.930 10.036 1.00 15.39 ? ? ? ? ? ? 20 ARG A NH2 1 +ATOM 325 H H . ARG A 1 20 ? 23.787 8.592 6.237 1.00 11.60 ? ? ? ? ? ? 20 ARG A H 1 +ATOM 326 H HA . ARG A 1 20 ? 24.058 11.425 5.818 1.00 9.96 ? ? ? ? ? ? 20 ARG A HA 1 +ATOM 327 H HB2 . ARG A 1 20 ? 25.997 9.096 5.514 1.00 11.42 ? ? ? ? ? ? 20 ARG A HB2 1 +ATOM 328 H HB3 . ARG A 1 20 ? 26.473 10.556 4.823 1.00 11.61 ? ? ? ? ? ? 20 ARG A HB3 1 +ATOM 329 H HG2 . ARG A 1 20 ? 26.061 10.144 7.831 1.00 10.85 ? ? ? ? ? ? 20 ARG A HG2 1 +ATOM 330 H HG3 . ARG A 1 20 ? 27.535 10.103 7.169 1.00 11.31 ? ? ? ? ? ? 20 ARG A HG3 1 +ATOM 331 H HD2 . ARG A 1 20 ? 27.287 12.570 6.390 1.00 12.19 ? ? ? ? ? ? 20 ARG A HD2 1 +ATOM 332 H HD3 . ARG A 1 20 ? 25.902 12.789 7.042 1.00 11.77 ? ? ? ? ? ? 20 ARG A HD3 1 +ATOM 333 D DE . ARG A 1 20 ? 26.641 12.861 9.099 1.00 15.00 ? ? ? ? ? ? 20 ARG A DE 1 +ATOM 334 D DH11 . ARG A 1 20 ? 30.497 12.035 8.190 1.00 15.45 ? ? ? ? ? ? 20 ARG A DH11 1 +ATOM 335 D DH12 . ARG A 1 20 ? 29.294 11.758 7.027 1.00 15.68 ? ? ? ? ? ? 20 ARG A DH12 1 +ATOM 336 D DH21 . ARG A 1 20 ? 29.867 12.914 10.308 1.00 13.82 ? ? ? ? ? ? 20 ARG A DH21 1 +ATOM 337 D DH22 . ARG A 1 20 ? 28.137 13.263 10.632 1.00 14.55 ? ? ? ? ? ? 20 ARG A DH22 1 +ATOM 338 N N . TYR A 1 21 ? 24.290 11.111 3.341 1.00 9.20 ? ? ? ? ? ? 21 TYR A N 1 +ATOM 339 C CA . TYR A 1 21 ? 23.980 10.950 1.898 1.00 8.22 ? ? ? ? ? ? 21 TYR A CA 1 +ATOM 340 C C . TYR A 1 21 ? 25.230 10.503 1.171 1.00 8.71 ? ? ? ? ? ? 21 TYR A C 1 +ATOM 341 O O . TYR A 1 21 ? 26.337 10.911 1.504 1.00 8.47 ? ? ? ? ? ? 21 TYR A O 1 +ATOM 342 C CB . TYR A 1 21 ? 23.571 12.308 1.316 1.00 9.14 ? ? ? ? ? ? 21 TYR A CB 1 +ATOM 343 C CG . TYR A 1 21 ? 22.096 12.567 1.577 1.00 10.30 ? ? ? ? ? ? 21 TYR A CG 1 +ATOM 344 C CD1 . TYR A 1 21 ? 21.657 13.359 2.656 1.00 10.02 ? ? ? ? ? ? 21 TYR A CD1 1 +ATOM 345 C CD2 . TYR A 1 21 ? 21.170 12.008 0.718 1.00 10.29 ? ? ? ? ? ? 21 TYR A CD2 1 +ATOM 346 C CE1 . TYR A 1 21 ? 20.312 13.586 2.819 1.00 11.24 ? ? ? ? ? ? 21 TYR A CE1 1 +ATOM 347 C CE2 . TYR A 1 21 ? 19.795 12.189 0.909 1.00 11.46 ? ? ? ? ? ? 21 TYR A CE2 1 +ATOM 348 C CZ . TYR A 1 21 ? 19.370 13.026 1.971 1.00 12.26 ? ? ? ? ? ? 21 TYR A CZ 1 +ATOM 349 O OH . TYR A 1 21 ? 17.995 13.168 2.092 1.00 13.81 ? ? ? ? ? ? 21 TYR A OH 1 +ATOM 350 H H . TYR A 1 21 ? 24.869 11.855 3.627 1.00 9.54 ? ? ? ? ? ? 21 TYR A H 1 +ATOM 351 H HA . TYR A 1 21 ? 23.253 10.171 1.894 1.00 9.45 ? ? ? ? ? ? 21 TYR A HA 1 +ATOM 352 H HB2 . TYR A 1 21 ? 24.218 13.154 1.485 1.00 10.74 ? ? ? ? ? ? 21 TYR A HB2 1 +ATOM 353 H HB3 . TYR A 1 21 ? 23.593 12.133 0.220 1.00 9.35 ? ? ? ? ? ? 21 TYR A HB3 1 +ATOM 354 H HD1 . TYR A 1 21 ? 22.396 13.821 3.302 1.00 11.00 ? ? ? ? ? ? 21 TYR A HD1 1 +ATOM 355 H HD2 . TYR A 1 21 ? 21.487 11.347 -0.072 1.00 10.53 ? ? ? ? ? ? 21 TYR A HD2 1 +ATOM 356 H HE1 . TYR A 1 21 ? 19.977 14.203 3.642 1.00 10.87 ? ? ? ? ? ? 21 TYR A HE1 1 +ATOM 357 H HE2 . TYR A 1 21 ? 19.073 11.749 0.247 1.00 11.44 ? ? ? ? ? ? 21 TYR A HE2 1 +ATOM 358 D DH . TYR A 1 21 ? 17.713 13.930 2.654 1.00 14.85 ? ? ? ? ? ? 21 TYR A DH 1 +ATOM 359 N N . PHE A 1 22 ? 24.953 9.731 0.125 1.00 7.43 ? ? ? ? ? ? 22 PHE A N 1 +ATOM 360 C CA . PHE A 1 22 ? 25.997 9.344 -0.804 1.00 6.76 ? ? ? ? ? ? 22 PHE A CA 1 +ATOM 361 C C . PHE A 1 22 ? 25.379 9.511 -2.224 1.00 7.20 ? ? ? ? ? ? 22 PHE A C 1 +ATOM 362 O O . PHE A 1 22 ? 24.147 9.372 -2.366 1.00 7.41 ? ? ? ? ? ? 22 PHE A O 1 +ATOM 363 C CB . PHE A 1 22 ? 26.543 7.944 -0.689 1.00 6.59 ? ? ? ? ? ? 22 PHE A CB 1 +ATOM 364 C CG . PHE A 1 22 ? 25.670 6.853 -1.112 1.00 7.76 ? ? ? ? ? ? 22 PHE A CG 1 +ATOM 365 C CD1 . PHE A 1 22 ? 25.945 6.167 -2.285 1.00 8.47 ? ? ? ? ? ? 22 PHE A CD1 1 +ATOM 366 C CD2 . PHE A 1 22 ? 24.511 6.513 -0.412 1.00 8.78 ? ? ? ? ? ? 22 PHE A CD2 1 +ATOM 367 C CE1 . PHE A 1 22 ? 25.147 5.127 -2.683 1.00 9.15 ? ? ? ? ? ? 22 PHE A CE1 1 +ATOM 368 C CE2 . PHE A 1 22 ? 23.691 5.457 -0.800 1.00 9.59 ? ? ? ? ? ? 22 PHE A CE2 1 +ATOM 369 C CZ . PHE A 1 22 ? 24.024 4.780 -1.963 1.00 9.79 ? ? ? ? ? ? 22 PHE A CZ 1 +ATOM 370 H H . PHE A 1 22 ? 24.062 9.484 -0.227 1.00 8.93 ? ? ? ? ? ? 22 PHE A H 1 +ATOM 371 H HA . PHE A 1 22 ? 26.914 9.910 -0.832 1.00 6.50 ? ? ? ? ? ? 22 PHE A HA 1 +ATOM 372 H HB2 . PHE A 1 22 ? 27.448 8.048 -1.293 1.00 7.09 ? ? ? ? ? ? 22 PHE A HB2 1 +ATOM 373 H HB3 . PHE A 1 22 ? 26.675 7.814 0.433 1.00 5.77 ? ? ? ? ? ? 22 PHE A HB3 1 +ATOM 374 H HD1 . PHE A 1 22 ? 26.792 6.452 -2.819 1.00 8.71 ? ? ? ? ? ? 22 PHE A HD1 1 +ATOM 375 H HD2 . PHE A 1 22 ? 24.305 7.028 0.503 1.00 8.57 ? ? ? ? ? ? 22 PHE A HD2 1 +ATOM 376 H HE1 . PHE A 1 22 ? 25.378 4.634 -3.594 1.00 9.13 ? ? ? ? ? ? 22 PHE A HE1 1 +ATOM 377 H HE2 . PHE A 1 22 ? 22.866 5.192 -0.228 1.00 9.05 ? ? ? ? ? ? 22 PHE A HE2 1 +ATOM 378 H HZ . PHE A 1 22 ? 23.411 3.987 -2.299 1.00 9.64 ? ? ? ? ? ? 22 PHE A HZ 1 +ATOM 379 N N . TYR A 1 23 ? 26.248 9.721 -3.224 1.00 8.20 ? ? ? ? ? ? 23 TYR A N 1 +ATOM 380 C CA . TYR A 1 23 ? 25.779 9.725 -4.634 1.00 7.28 ? ? ? ? ? ? 23 TYR A CA 1 +ATOM 381 C C . TYR A 1 23 ? 25.786 8.322 -5.124 1.00 7.57 ? ? ? ? ? ? 23 TYR A C 1 +ATOM 382 O O . TYR A 1 23 ? 26.818 7.621 -5.132 1.00 8.16 ? ? ? ? ? ? 23 TYR A O 1 +ATOM 383 C CB . TYR A 1 23 ? 26.759 10.511 -5.499 1.00 9.85 ? ? ? ? ? ? 23 TYR A CB 1 +ATOM 384 C CG . TYR A 1 23 ? 26.248 10.666 -6.944 1.00 9.96 ? ? ? ? ? ? 23 TYR A CG 1 +ATOM 385 C CD1 . TYR A 1 23 ? 26.914 10.044 -7.987 1.00 10.97 ? ? ? ? ? ? 23 TYR A CD1 1 +ATOM 386 C CD2 . TYR A 1 23 ? 25.125 11.475 -7.226 1.00 11.33 ? ? ? ? ? ? 23 TYR A CD2 1 +ATOM 387 C CE1 . TYR A 1 23 ? 26.451 10.178 -9.295 1.00 11.27 ? ? ? ? ? ? 23 TYR A CE1 1 +ATOM 388 C CE2 . TYR A 1 23 ? 24.587 11.603 -8.518 1.00 11.73 ? ? ? ? ? ? 23 TYR A CE2 1 +ATOM 389 C CZ . TYR A 1 23 ? 25.294 10.925 -9.501 1.00 11.91 ? ? ? ? ? ? 23 TYR A CZ 1 +ATOM 390 O OH . TYR A 1 23 ? 24.839 11.085 -10.793 1.00 14.10 ? ? ? ? ? ? 23 TYR A OH 1 +ATOM 391 H H . TYR A 1 23 ? 27.210 9.753 -3.004 1.00 7.41 ? ? ? ? ? ? 23 TYR A H 1 +ATOM 392 H HA . TYR A 1 23 ? 24.818 10.226 -4.744 1.00 8.02 ? ? ? ? ? ? 23 TYR A HA 1 +ATOM 393 H HB2 . TYR A 1 23 ? 26.593 11.519 -5.121 1.00 9.84 ? ? ? ? ? ? 23 TYR A HB2 1 +ATOM 394 H HB3 . TYR A 1 23 ? 27.819 10.292 -5.414 1.00 9.27 ? ? ? ? ? ? 23 TYR A HB3 1 +ATOM 395 H HD1 . TYR A 1 23 ? 27.785 9.438 -7.850 1.00 10.63 ? ? ? ? ? ? 23 TYR A HD1 1 +ATOM 396 H HD2 . TYR A 1 23 ? 24.614 11.894 -6.350 1.00 10.81 ? ? ? ? ? ? 23 TYR A HD2 1 +ATOM 397 H HE1 . TYR A 1 23 ? 26.909 9.696 -10.142 1.00 11.58 ? ? ? ? ? ? 23 TYR A HE1 1 +ATOM 398 H HE2 . TYR A 1 23 ? 23.716 12.164 -8.754 1.00 11.77 ? ? ? ? ? ? 23 TYR A HE2 1 +ATOM 399 D DH . TYR A 1 23 ? 24.638 12.063 -10.743 1.00 14.22 ? ? ? ? ? ? 23 TYR A DH 1 +ATOM 400 N N . ASN A 1 24 ? 24.618 7.831 -5.550 1.00 7.53 ? ? ? ? ? ? 24 ASN A N 1 +ATOM 401 C CA . ASN A 1 24 ? 24.473 6.511 -6.126 1.00 8.25 ? ? ? ? ? ? 24 ASN A CA 1 +ATOM 402 C C . ASN A 1 24 ? 24.533 6.730 -7.657 1.00 9.26 ? ? ? ? ? ? 24 ASN A C 1 +ATOM 403 O O . ASN A 1 24 ? 23.605 7.147 -8.338 1.00 9.06 ? ? ? ? ? ? 24 ASN A O 1 +ATOM 404 C CB . ASN A 1 24 ? 23.099 5.973 -5.764 1.00 9.60 ? ? ? ? ? ? 24 ASN A CB 1 +ATOM 405 C CG . ASN A 1 24 ? 22.895 4.611 -6.330 1.00 10.11 ? ? ? ? ? ? 24 ASN A CG 1 +ATOM 406 O OD1 . ASN A 1 24 ? 23.537 4.204 -7.313 1.00 13.10 ? ? ? ? ? ? 24 ASN A OD1 1 +ATOM 407 N ND2 . ASN A 1 24 ? 21.966 3.903 -5.800 1.00 12.51 ? ? ? ? ? ? 24 ASN A ND2 1 +ATOM 408 H H . ASN A 1 24 ? 23.768 8.406 -5.560 1.00 7.95 ? ? ? ? ? ? 24 ASN A H 1 +ATOM 409 H HA . ASN A 1 24 ? 25.252 5.817 -5.749 1.00 7.93 ? ? ? ? ? ? 24 ASN A HA 1 +ATOM 410 H HB2 . ASN A 1 24 ? 23.193 5.827 -4.660 1.00 8.09 ? ? ? ? ? ? 24 ASN A HB2 1 +ATOM 411 H HB3 . ASN A 1 24 ? 22.291 6.679 -5.844 1.00 9.60 ? ? ? ? ? ? 24 ASN A HB3 1 +ATOM 412 D DD21 . ASN A 1 24 ? 21.767 2.914 -6.106 1.00 12.19 ? ? ? ? ? ? 24 ASN A DD21 1 +ATOM 413 D DD22 . ASN A 1 24 ? 21.419 4.231 -5.010 1.00 11.93 ? ? ? ? ? ? 24 ASN A DD22 1 +ATOM 414 N N . ALA A 1 25 ? 25.690 6.499 -8.244 1.00 10.90 ? ? ? ? ? ? 25 ALA A N 1 +ATOM 415 C CA . ALA A 1 25 ? 25.937 6.771 -9.710 1.00 12.18 ? ? ? ? ? ? 25 ALA A CA 1 +ATOM 416 C C . ALA A 1 25 ? 25.108 5.883 -10.665 1.00 11.03 ? ? ? ? ? ? 25 ALA A C 1 +ATOM 417 O O . ALA A 1 25 ? 24.972 6.315 -11.816 1.00 12.22 ? ? ? ? ? ? 25 ALA A O 1 +ATOM 418 C CB . ALA A 1 25 ? 27.438 6.846 -9.903 1.00 11.38 ? ? ? ? ? ? 25 ALA A CB 1 +ATOM 419 D D . ALA A 1 25 ? 26.523 6.274 -7.738 1.00 10.47 ? ? ? ? ? ? 25 ALA A D 1 +ATOM 420 H HA . ALA A 1 25 ? 25.558 7.786 -9.716 1.00 11.28 ? ? ? ? ? ? 25 ALA A HA 1 +ATOM 421 H HB1 . ALA A 1 25 ? 28.036 7.257 -9.107 1.00 12.88 ? ? ? ? ? ? 25 ALA A HB1 1 +ATOM 422 H HB2 . ALA A 1 25 ? 27.681 5.764 -9.848 1.00 12.72 ? ? ? ? ? ? 25 ALA A HB2 1 +ATOM 423 H HB3 . ALA A 1 25 ? 27.740 7.086 -10.895 1.00 12.70 ? ? ? ? ? ? 25 ALA A HB3 1 +ATOM 424 N N . LYS A 1 26 ? 24.672 4.739 -10.226 1.00 10.74 ? ? ? ? ? ? 26 LYS A N 1 +ATOM 425 C CA . LYS A 1 26 ? 23.844 3.843 -10.944 1.00 13.89 ? ? ? ? ? ? 26 LYS A CA 1 +ATOM 426 C C . LYS A 1 26 ? 22.458 4.414 -11.053 1.00 13.64 ? ? ? ? ? ? 26 LYS A C 1 +ATOM 427 O O . LYS A 1 26 ? 21.776 4.419 -12.113 1.00 15.07 ? ? ? ? ? ? 26 LYS A O 1 +ATOM 428 C CB . LYS A 1 26 ? 23.873 2.469 -10.338 1.00 18.92 ? ? ? ? ? ? 26 LYS A CB 1 +ATOM 429 C CG . LYS A 1 26 ? 22.897 1.688 -11.164 1.00 23.44 ? ? ? ? ? ? 26 LYS A CG 1 +ATOM 430 C CD . LYS A 1 26 ? 23.134 0.220 -10.987 1.00 28.41 ? ? ? ? ? ? 26 LYS A CD 1 +ATOM 431 C CE . LYS A 1 26 ? 21.883 -0.282 -11.734 1.00 33.13 ? ? ? ? ? ? 26 LYS A CE 1 +ATOM 432 N NZ . LYS A 1 26 ? 21.699 -1.653 -11.140 1.00 36.26 ? ? ? ? ? ? 26 LYS A NZ 1 +ATOM 433 D D . LYS A 1 26 ? 24.811 4.482 -9.301 1.00 12.45 ? ? ? ? ? ? 26 LYS A D 1 +ATOM 434 H HA . LYS A 1 26 ? 24.244 3.768 -11.951 1.00 13.36 ? ? ? ? ? ? 26 LYS A HA 1 +ATOM 435 H HB2 . LYS A 1 26 ? 24.904 2.072 -10.313 1.00 18.73 ? ? ? ? ? ? 26 LYS A HB2 1 +ATOM 436 H HB3 . LYS A 1 26 ? 23.584 2.461 -9.286 1.00 18.71 ? ? ? ? ? ? 26 LYS A HB3 1 +ATOM 437 H HG2 . LYS A 1 26 ? 21.821 1.865 -11.054 1.00 23.71 ? ? ? ? ? ? 26 LYS A HG2 1 +ATOM 438 H HG3 . LYS A 1 26 ? 23.032 1.822 -12.264 1.00 23.90 ? ? ? ? ? ? 26 LYS A HG3 1 +ATOM 439 H HD2 . LYS A 1 26 ? 23.995 -0.194 -11.474 1.00 28.42 ? ? ? ? ? ? 26 LYS A HD2 1 +ATOM 440 H HD3 . LYS A 1 26 ? 23.120 -0.106 -9.964 1.00 28.28 ? ? ? ? ? ? 26 LYS A HD3 1 +ATOM 441 H HE2 . LYS A 1 26 ? 21.046 0.350 -11.524 1.00 32.48 ? ? ? ? ? ? 26 LYS A HE2 1 +ATOM 442 H HE3 . LYS A 1 26 ? 22.160 -0.402 -12.753 1.00 32.27 ? ? ? ? ? ? 26 LYS A HE3 1 +ATOM 443 D DZ1 . LYS A 1 26 ? 21.593 -1.586 -10.094 1.00 36.90 ? ? ? ? ? ? 26 LYS A DZ1 1 +ATOM 444 D DZ2 . LYS A 1 26 ? 20.761 -1.979 -11.479 1.00 37.12 ? ? ? ? ? ? 26 LYS A DZ2 1 +ATOM 445 D DZ3 . LYS A 1 26 ? 22.527 -2.262 -11.359 1.00 36.55 ? ? ? ? ? ? 26 LYS A DZ3 1 +ATOM 446 N N . ALA A 1 27 ? 21.931 5.074 -10.038 1.00 13.18 ? ? ? ? ? ? 27 ALA A N 1 +ATOM 447 C CA . ALA A 1 27 ? 20.576 5.701 -10.043 1.00 11.76 ? ? ? ? ? ? 27 ALA A CA 1 +ATOM 448 C C . ALA A 1 27 ? 20.606 7.178 -10.432 1.00 10.74 ? ? ? ? ? ? 27 ALA A C 1 +ATOM 449 O O . ALA A 1 27 ? 19.595 7.768 -10.820 1.00 11.30 ? ? ? ? ? ? 27 ALA A O 1 +ATOM 450 C CB . ALA A 1 27 ? 20.054 5.625 -8.612 1.00 12.78 ? ? ? ? ? ? 27 ALA A CB 1 +ATOM 451 D D . ALA A 1 27 ? 22.488 5.076 -9.180 1.00 15.23 ? ? ? ? ? ? 27 ALA A D 1 +ATOM 452 H HA . ALA A 1 27 ? 20.090 5.015 -10.727 1.00 12.71 ? ? ? ? ? ? 27 ALA A HA 1 +ATOM 453 H HB1 . ALA A 1 27 ? 20.772 6.088 -7.962 1.00 11.38 ? ? ? ? ? ? 27 ALA A HB1 1 +ATOM 454 H HB2 . ALA A 1 27 ? 19.100 6.124 -8.555 1.00 11.24 ? ? ? ? ? ? 27 ALA A HB2 1 +ATOM 455 H HB3 . ALA A 1 27 ? 20.011 4.596 -8.261 1.00 11.11 ? ? ? ? ? ? 27 ALA A HB3 1 +ATOM 456 N N . GLY A 1 28 ? 21.752 7.848 -10.373 1.00 9.60 ? ? ? ? ? ? 28 GLY A N 1 +ATOM 457 C CA . GLY A 1 28 ? 21.970 9.249 -10.618 1.00 10.58 ? ? ? ? ? ? 28 GLY A CA 1 +ATOM 458 C C . GLY A 1 28 ? 21.292 10.175 -9.591 1.00 11.69 ? ? ? ? ? ? 28 GLY A C 1 +ATOM 459 O O . GLY A 1 28 ? 20.947 11.316 -9.904 1.00 12.66 ? ? ? ? ? ? 28 GLY A O 1 +ATOM 460 D D . GLY A 1 28 ? 22.531 7.298 -10.049 1.00 11.71 ? ? ? ? ? ? 28 GLY A D 1 +ATOM 461 H HA2 . GLY A 1 28 ? 22.992 9.579 -10.730 1.00 10.85 ? ? ? ? ? ? 28 GLY A HA2 1 +ATOM 462 H HA3 . GLY A 1 28 ? 21.483 9.541 -11.578 1.00 10.66 ? ? ? ? ? ? 28 GLY A HA3 1 +ATOM 463 N N . LEU A 1 29 ? 21.201 9.723 -8.370 1.00 11.42 ? ? ? ? ? ? 29 LEU A N 1 +ATOM 464 C CA . LEU A 1 29 ? 20.589 10.458 -7.271 1.00 13.44 ? ? ? ? ? ? 29 LEU A CA 1 +ATOM 465 C C . LEU A 1 29 ? 21.437 10.194 -6.009 1.00 10.49 ? ? ? ? ? ? 29 LEU A C 1 +ATOM 466 O O . LEU A 1 29 ? 22.077 9.168 -5.914 1.00 11.18 ? ? ? ? ? ? 29 LEU A O 1 +ATOM 467 C CB . LEU A 1 29 ? 19.233 9.682 -6.932 1.00 15.84 ? ? ? ? ? ? 29 LEU A CB 1 +ATOM 468 C CG . LEU A 1 29 ? 18.126 9.639 -7.924 1.00 17.24 ? ? ? ? ? ? 29 LEU A CG 1 +ATOM 469 C CD1 . LEU A 1 29 ? 16.897 8.857 -7.584 1.00 18.29 ? ? ? ? ? ? 29 LEU A CD1 1 +ATOM 470 C CD2 . LEU A 1 29 ? 17.548 11.015 -8.232 1.00 18.39 ? ? ? ? ? ? 29 LEU A CD2 1 +ATOM 471 D D . LEU A 1 29 ? 21.510 8.788 -8.071 1.00 11.84 ? ? ? ? ? ? 29 LEU A D 1 +ATOM 472 H HA . LEU A 1 29 ? 20.311 11.468 -7.252 1.00 13.35 ? ? ? ? ? ? 29 LEU A HA 1 +ATOM 473 H HB2 . LEU A 1 29 ? 19.436 8.685 -6.548 1.00 15.95 ? ? ? ? ? ? 29 LEU A HB2 1 +ATOM 474 H HB3 . LEU A 1 29 ? 18.858 10.134 -5.977 1.00 15.40 ? ? ? ? ? ? 29 LEU A HB3 1 +ATOM 475 H HG . LEU A 1 29 ? 18.531 9.305 -8.886 1.00 17.16 ? ? ? ? ? ? 29 LEU A HG 1 +ATOM 476 H HD11 . LEU A 1 29 ? 16.985 7.826 -7.316 1.00 17.17 ? ? ? ? ? ? 29 LEU A HD11 1 +ATOM 477 H HD12 . LEU A 1 29 ? 16.567 9.316 -6.642 1.00 17.13 ? ? ? ? ? ? 29 LEU A HD12 1 +ATOM 478 H HD13 . LEU A 1 29 ? 16.204 9.016 -8.386 1.00 17.35 ? ? ? ? ? ? 29 LEU A HD13 1 +ATOM 479 H HD21 . LEU A 1 29 ? 18.381 11.675 -8.464 1.00 17.08 ? ? ? ? ? ? 29 LEU A HD21 1 +ATOM 480 H HD22 . LEU A 1 29 ? 16.837 10.957 -9.047 1.00 17.51 ? ? ? ? ? ? 29 LEU A HD22 1 +ATOM 481 H HD23 . LEU A 1 29 ? 17.112 11.417 -7.289 1.00 16.97 ? ? ? ? ? ? 29 LEU A HD23 1 +ATOM 482 N N . CYS A 1 30 ? 21.289 11.133 -5.121 1.00 10.45 ? ? ? ? ? ? 30 CYS A N 1 +ATOM 483 C CA . CYS A 1 30 ? 21.875 11.033 -3.734 1.00 10.30 ? ? ? ? ? ? 30 CYS A CA 1 +ATOM 484 C C . CYS A 1 30 ? 20.869 10.289 -2.850 1.00 10.76 ? ? ? ? ? ? 30 CYS A C 1 +ATOM 485 O O . CYS A 1 30 ? 19.639 10.651 -2.961 1.00 12.39 ? ? ? ? ? ? 30 CYS A O 1 +ATOM 486 C CB . CYS A 1 30 ? 22.103 12.439 -3.217 1.00 10.60 ? ? ? ? ? ? 30 CYS A CB 1 +ATOM 487 S SG . CYS A 1 30 ? 23.486 13.149 -4.087 1.00 11.79 ? ? ? ? ? ? 30 CYS A SG 1 +ATOM 488 D D . CYS A 1 30 ? 20.752 11.960 -5.175 1.00 11.99 ? ? ? ? ? ? 30 CYS A D 1 +ATOM 489 H HA . CYS A 1 30 ? 22.835 10.632 -3.940 1.00 10.70 ? ? ? ? ? ? 30 CYS A HA 1 +ATOM 490 H HB2 . CYS A 1 30 ? 21.141 12.922 -3.348 1.00 11.15 ? ? ? ? ? ? 30 CYS A HB2 1 +ATOM 491 H HB3 . CYS A 1 30 ? 22.434 12.440 -2.188 1.00 10.30 ? ? ? ? ? ? 30 CYS A HB3 1 +ATOM 492 N N . GLN A 1 31 ? 21.336 9.324 -2.086 1.00 8.79 ? ? ? ? ? ? 31 GLN A N 1 +ATOM 493 C CA . GLN A 1 31 ? 20.508 8.474 -1.259 1.00 10.62 ? ? ? ? ? ? 31 GLN A CA 1 +ATOM 494 C C . GLN A 1 31 ? 21.184 8.402 0.118 1.00 10.68 ? ? ? ? ? ? 31 GLN A C 1 +ATOM 495 O O . GLN A 1 31 ? 22.328 8.784 0.291 1.00 10.44 ? ? ? ? ? ? 31 GLN A O 1 +ATOM 496 C CB . GLN A 1 31 ? 20.354 7.087 -1.858 1.00 11.67 ? ? ? ? ? ? 31 GLN A CB 1 +ATOM 497 C CG . GLN A 1 31 ? 19.623 7.119 -3.183 1.00 13.65 ? ? ? ? ? ? 31 GLN A CG 1 +ATOM 498 C CD . GLN A 1 31 ? 19.594 5.767 -3.853 1.00 14.34 ? ? ? ? ? ? 31 GLN A CD 1 +ATOM 499 O OE1 . GLN A 1 31 ? 20.395 4.867 -3.653 1.00 15.59 ? ? ? ? ? ? 31 GLN A OE1 1 +ATOM 500 N NE2 . GLN A 1 31 ? 18.531 5.618 -4.678 1.00 18.68 ? ? ? ? ? ? 31 GLN A NE2 1 +ATOM 501 H H . GLN A 1 31 ? 22.343 9.128 -2.125 1.00 11.77 ? ? ? ? ? ? 31 GLN A H 1 +ATOM 502 H HA . GLN A 1 31 ? 19.517 8.874 -1.128 1.00 10.53 ? ? ? ? ? ? 31 GLN A HA 1 +ATOM 503 H HB2 . GLN A 1 31 ? 21.356 6.648 -2.002 1.00 13.07 ? ? ? ? ? ? 31 GLN A HB2 1 +ATOM 504 H HB3 . GLN A 1 31 ? 19.931 6.372 -1.113 1.00 11.96 ? ? ? ? ? ? 31 GLN A HB3 1 +ATOM 505 H HG2 . GLN A 1 31 ? 18.690 7.661 -3.311 1.00 12.84 ? ? ? ? ? ? 31 GLN A HG2 1 +ATOM 506 H HG3 . GLN A 1 31 ? 20.219 7.714 -3.916 1.00 11.88 ? ? ? ? ? ? 31 GLN A HG3 1 +ATOM 507 D DE21 . GLN A 1 31 ? 18.411 4.689 -5.135 1.00 15.66 ? ? ? ? ? ? 31 GLN A DE21 1 +ATOM 508 D DE22 . GLN A 1 31 ? 17.891 6.434 -4.778 1.00 15.36 ? ? ? ? ? ? 31 GLN A DE22 1 +ATOM 509 N N . THR A 1 32 ? 20.404 7.934 1.103 1.00 11.66 ? ? ? ? ? ? 32 THR A N 1 +ATOM 510 C CA . THR A 1 32 ? 20.941 7.836 2.490 1.00 11.14 ? ? ? ? ? ? 32 THR A CA 1 +ATOM 511 C C . THR A 1 32 ? 21.590 6.489 2.656 1.00 10.29 ? ? ? ? ? ? 32 THR A C 1 +ATOM 512 O O . THR A 1 32 ? 21.401 5.428 2.076 1.00 11.74 ? ? ? ? ? ? 32 THR A O 1 +ATOM 513 C CB . THR A 1 32 ? 19.849 8.116 3.568 1.00 11.90 ? ? ? ? ? ? 32 THR A CB 1 +ATOM 514 O OG1 . THR A 1 32 ? 18.807 7.216 3.348 1.00 14.39 ? ? ? ? ? ? 32 THR A OG1 1 +ATOM 515 C CG2 . THR A 1 32 ? 19.240 9.473 3.369 1.00 13.60 ? ? ? ? ? ? 32 THR A CG2 1 +ATOM 516 D D . THR A 1 32 ? 19.456 7.621 0.938 1.00 10.82 ? ? ? ? ? ? 32 THR A D 1 +ATOM 517 H HA . THR A 1 32 ? 21.592 8.681 2.741 1.00 11.72 ? ? ? ? ? ? 32 THR A HA 1 +ATOM 518 H HB . THR A 1 32 ? 20.326 8.080 4.568 1.00 13.24 ? ? ? ? ? ? 32 THR A HB 1 +ATOM 519 D DG1 . THR A 1 32 ? 19.288 6.347 3.409 1.00 15.34 ? ? ? ? ? ? 32 THR A DG1 1 +ATOM 520 H HG21 . THR A 1 32 ? 18.775 9.734 2.409 1.00 12.24 ? ? ? ? ? ? 32 THR A HG21 1 +ATOM 521 H HG22 . THR A 1 32 ? 18.605 9.634 4.256 1.00 12.28 ? ? ? ? ? ? 32 THR A HG22 1 +ATOM 522 H HG23 . THR A 1 32 ? 19.988 10.264 3.585 1.00 13.01 ? ? ? ? ? ? 32 THR A HG23 1 +ATOM 523 N N . PHE A 1 33 ? 22.506 6.456 3.619 1.00 9.22 ? ? ? ? ? ? 33 PHE A N 1 +ATOM 524 C CA . PHE A 1 33 ? 23.207 5.275 4.060 1.00 9.74 ? ? ? ? ? ? 33 PHE A CA 1 +ATOM 525 C C . PHE A 1 33 ? 23.550 5.541 5.559 1.00 9.40 ? ? ? ? ? ? 33 PHE A C 1 +ATOM 526 O O . PHE A 1 33 ? 23.556 6.640 6.034 1.00 10.22 ? ? ? ? ? ? 33 PHE A O 1 +ATOM 527 C CB . PHE A 1 33 ? 24.434 4.964 3.270 1.00 9.26 ? ? ? ? ? ? 33 PHE A CB 1 +ATOM 528 C CG . PHE A 1 33 ? 25.710 5.682 3.555 1.00 9.20 ? ? ? ? ? ? 33 PHE A CG 1 +ATOM 529 C CD1 . PHE A 1 33 ? 26.781 5.095 4.224 1.00 10.68 ? ? ? ? ? ? 33 PHE A CD1 1 +ATOM 530 C CD2 . PHE A 1 33 ? 25.843 6.975 3.069 1.00 10.04 ? ? ? ? ? ? 33 PHE A CD2 1 +ATOM 531 C CE1 . PHE A 1 33 ? 27.946 5.766 4.445 1.00 8.91 ? ? ? ? ? ? 33 PHE A CE1 1 +ATOM 532 C CE2 . PHE A 1 33 ? 27.014 7.710 3.271 1.00 10.37 ? ? ? ? ? ? 33 PHE A CE2 1 +ATOM 533 C CZ . PHE A 1 33 ? 28.008 7.053 3.984 1.00 9.71 ? ? ? ? ? ? 33 PHE A CZ 1 +ATOM 534 H H . PHE A 1 33 ? 22.695 7.266 4.199 1.00 11.07 ? ? ? ? ? ? 33 PHE A H 1 +ATOM 535 H HA . PHE A 1 33 ? 22.613 4.388 3.918 1.00 9.08 ? ? ? ? ? ? 33 PHE A HA 1 +ATOM 536 H HB2 . PHE A 1 33 ? 24.660 3.891 3.281 1.00 8.91 ? ? ? ? ? ? 33 PHE A HB2 1 +ATOM 537 H HB3 . PHE A 1 33 ? 24.191 5.223 2.224 1.00 10.11 ? ? ? ? ? ? 33 PHE A HB3 1 +ATOM 538 H HD1 . PHE A 1 33 ? 26.642 4.136 4.599 1.00 10.02 ? ? ? ? ? ? 33 PHE A HD1 1 +ATOM 539 H HD2 . PHE A 1 33 ? 25.041 7.396 2.488 1.00 10.10 ? ? ? ? ? ? 33 PHE A HD2 1 +ATOM 540 H HE1 . PHE A 1 33 ? 28.767 5.394 5.011 1.00 10.09 ? ? ? ? ? ? 33 PHE A HE1 1 +ATOM 541 H HE2 . PHE A 1 33 ? 27.164 8.641 2.902 1.00 9.74 ? ? ? ? ? ? 33 PHE A HE2 1 +ATOM 542 H HZ . PHE A 1 33 ? 28.943 7.600 4.146 1.00 9.76 ? ? ? ? ? ? 33 PHE A HZ 1 +ATOM 543 N N . VAL A 1 34 ? 23.923 4.477 6.205 1.00 11.69 ? ? ? ? ? ? 34 VAL A N 1 +ATOM 544 C CA . VAL A 1 34 ? 24.349 4.496 7.646 1.00 11.33 ? ? ? ? ? ? 34 VAL A CA 1 +ATOM 545 C C . VAL A 1 34 ? 25.894 4.524 7.711 1.00 10.54 ? ? ? ? ? ? 34 VAL A C 1 +ATOM 546 O O . VAL A 1 34 ? 26.638 3.625 7.263 1.00 11.75 ? ? ? ? ? ? 34 VAL A O 1 +ATOM 547 C CB . VAL A 1 34 ? 23.771 3.242 8.364 1.00 13.85 ? ? ? ? ? ? 34 VAL A CB 1 +ATOM 548 C CG1 . VAL A 1 34 ? 24.190 3.382 9.822 1.00 15.43 ? ? ? ? ? ? 34 VAL A CG1 1 +ATOM 549 C CG2 . VAL A 1 34 ? 22.264 3.291 8.258 1.00 14.03 ? ? ? ? ? ? 34 VAL A CG2 1 +ATOM 550 D D . VAL A 1 34 ? 23.874 3.555 5.766 1.00 10.86 ? ? ? ? ? ? 34 VAL A D 1 +ATOM 551 H HA . VAL A 1 34 ? 23.896 5.373 8.063 1.00 13.01 ? ? ? ? ? ? 34 VAL A HA 1 +ATOM 552 H HB . VAL A 1 34 ? 24.145 2.394 7.767 1.00 14.28 ? ? ? ? ? ? 34 VAL A HB 1 +ATOM 553 H HG11 . VAL A 1 34 ? 25.215 3.495 10.080 1.00 14.34 ? ? ? ? ? ? 34 VAL A HG11 1 +ATOM 554 H HG12 . VAL A 1 34 ? 23.715 4.342 10.087 1.00 14.17 ? ? ? ? ? ? 34 VAL A HG12 1 +ATOM 555 H HG13 . VAL A 1 34 ? 23.671 2.771 10.508 1.00 14.55 ? ? ? ? ? ? 34 VAL A HG13 1 +ATOM 556 H HG21 . VAL A 1 34 ? 21.923 3.399 7.220 1.00 13.82 ? ? ? ? ? ? 34 VAL A HG21 1 +ATOM 557 H HG22 . VAL A 1 34 ? 21.859 2.299 8.478 1.00 13.92 ? ? ? ? ? ? 34 VAL A HG22 1 +ATOM 558 H HG23 . VAL A 1 34 ? 21.693 4.035 8.788 1.00 14.12 ? ? ? ? ? ? 34 VAL A HG23 1 +ATOM 559 N N . TYR A 1 35 ? 26.387 5.631 8.231 1.00 8.67 ? ? ? ? ? ? 35 TYR A N 1 +ATOM 560 C CA . TYR A 1 35 ? 27.814 5.860 8.458 1.00 8.52 ? ? ? ? ? ? 35 TYR A CA 1 +ATOM 561 C C . TYR A 1 35 ? 28.085 5.455 9.938 1.00 9.39 ? ? ? ? ? ? 35 TYR A C 1 +ATOM 562 O O . TYR A 1 35 ? 27.356 5.880 10.841 1.00 10.05 ? ? ? ? ? ? 35 TYR A O 1 +ATOM 563 C CB . TYR A 1 35 ? 28.111 7.355 8.111 1.00 9.40 ? ? ? ? ? ? 35 TYR A CB 1 +ATOM 564 C CG . TYR A 1 35 ? 29.487 7.835 8.503 1.00 9.39 ? ? ? ? ? ? 35 TYR A CG 1 +ATOM 565 C CD1 . TYR A 1 35 ? 30.614 7.095 8.174 1.00 9.35 ? ? ? ? ? ? 35 TYR A CD1 1 +ATOM 566 C CD2 . TYR A 1 35 ? 29.613 8.943 9.313 1.00 9.32 ? ? ? ? ? ? 35 TYR A CD2 1 +ATOM 567 C CE1 . TYR A 1 35 ? 31.862 7.506 8.619 1.00 9.35 ? ? ? ? ? ? 35 TYR A CE1 1 +ATOM 568 C CE2 . TYR A 1 35 ? 30.895 9.387 9.715 1.00 9.94 ? ? ? ? ? ? 35 TYR A CE2 1 +ATOM 569 C CZ . TYR A 1 35 ? 31.977 8.641 9.373 1.00 10.13 ? ? ? ? ? ? 35 TYR A CZ 1 +ATOM 570 O OH . TYR A 1 35 ? 33.198 9.064 9.803 1.00 11.76 ? ? ? ? ? ? 35 TYR A OH 1 +ATOM 571 H H . TYR A 1 35 ? 25.808 6.359 8.604 1.00 10.82 ? ? ? ? ? ? 35 TYR A H 1 +ATOM 572 H HA . TYR A 1 35 ? 28.395 5.346 7.704 1.00 8.94 ? ? ? ? ? ? 35 TYR A HA 1 +ATOM 573 H HB2 . TYR A 1 35 ? 28.076 7.240 7.047 1.00 9.25 ? ? ? ? ? ? 35 TYR A HB2 1 +ATOM 574 H HB3 . TYR A 1 35 ? 27.271 7.909 8.560 1.00 9.74 ? ? ? ? ? ? 35 TYR A HB3 1 +ATOM 575 H HD1 . TYR A 1 35 ? 30.545 6.205 7.538 1.00 9.98 ? ? ? ? ? ? 35 TYR A HD1 1 +ATOM 576 H HD2 . TYR A 1 35 ? 28.750 9.553 9.589 1.00 10.16 ? ? ? ? ? ? 35 TYR A HD2 1 +ATOM 577 H HE1 . TYR A 1 35 ? 32.771 6.952 8.307 1.00 10.27 ? ? ? ? ? ? 35 TYR A HE1 1 +ATOM 578 H HE2 . TYR A 1 35 ? 30.943 10.289 10.353 1.00 9.68 ? ? ? ? ? ? 35 TYR A HE2 1 +ATOM 579 D DH . TYR A 1 35 ? 33.644 9.848 9.469 1.00 13.94 ? ? ? ? ? ? 35 TYR A DH 1 +ATOM 580 N N . GLY A 1 36 ? 29.181 4.741 10.152 1.00 9.59 ? ? ? ? ? ? 36 GLY A N 1 +ATOM 581 C CA . GLY A 1 36 ? 29.544 4.252 11.487 1.00 9.91 ? ? ? ? ? ? 36 GLY A CA 1 +ATOM 582 C C . GLY A 1 36 ? 30.219 5.242 12.389 1.00 9.25 ? ? ? ? ? ? 36 GLY A C 1 +ATOM 583 O O . GLY A 1 36 ? 30.414 4.897 13.554 1.00 9.95 ? ? ? ? ? ? 36 GLY A O 1 +ATOM 584 D D . GLY A 1 36 ? 29.796 4.369 9.440 1.00 10.72 ? ? ? ? ? ? 36 GLY A D 1 +ATOM 585 H HA2 . GLY A 1 36 ? 28.569 4.035 11.938 1.00 9.21 ? ? ? ? ? ? 36 GLY A HA2 1 +ATOM 586 H HA3 . GLY A 1 36 ? 29.951 3.244 11.467 1.00 9.63 ? ? ? ? ? ? 36 GLY A HA3 1 +ATOM 587 N N . GLY A 1 37 ? 30.587 6.373 11.911 1.00 8.45 ? ? ? ? ? ? 37 GLY A N 1 +ATOM 588 C CA . GLY A 1 37 ? 31.172 7.377 12.736 1.00 10.39 ? ? ? ? ? ? 37 GLY A CA 1 +ATOM 589 C C . GLY A 1 37 ? 32.637 7.664 12.699 1.00 10.61 ? ? ? ? ? ? 37 GLY A C 1 +ATOM 590 O O . GLY A 1 37 ? 33.098 8.624 13.380 1.00 13.37 ? ? ? ? ? ? 37 GLY A O 1 +ATOM 591 H H . GLY A 1 37 ? 30.371 6.645 10.927 1.00 9.53 ? ? ? ? ? ? 37 GLY A H 1 +ATOM 592 H HA2 . GLY A 1 37 ? 30.644 8.301 12.496 1.00 10.62 ? ? ? ? ? ? 37 GLY A HA2 1 +ATOM 593 H HA3 . GLY A 1 37 ? 30.965 7.251 13.816 1.00 9.36 ? ? ? ? ? ? 37 GLY A HA3 1 +ATOM 594 N N . CYS A 1 38 ? 33.387 6.871 11.999 1.00 10.95 ? ? ? ? ? ? 38 CYS A N 1 +ATOM 595 C CA . CYS A 1 38 ? 34.813 7.212 11.868 1.00 11.65 ? ? ? ? ? ? 38 CYS A CA 1 +ATOM 596 C C . CYS A 1 38 ? 35.267 6.763 10.481 1.00 12.05 ? ? ? ? ? ? 38 CYS A C 1 +ATOM 597 O O . CYS A 1 38 ? 34.729 5.808 9.860 1.00 11.60 ? ? ? ? ? ? 38 CYS A O 1 +ATOM 598 C CB . CYS A 1 38 ? 35.702 6.466 12.895 1.00 12.40 ? ? ? ? ? ? 38 CYS A CB 1 +ATOM 599 S SG . CYS A 1 38 ? 35.719 4.684 12.827 1.00 12.21 ? ? ? ? ? ? 38 CYS A SG 1 +ATOM 600 D D . CYS A 1 38 ? 33.052 6.073 11.478 1.00 11.38 ? ? ? ? ? ? 38 CYS A D 1 +ATOM 601 H HA . CYS A 1 38 ? 34.828 8.254 12.105 1.00 12.48 ? ? ? ? ? ? 38 CYS A HA 1 +ATOM 602 H HB2 . CYS A 1 38 ? 36.717 6.782 12.719 1.00 11.84 ? ? ? ? ? ? 38 CYS A HB2 1 +ATOM 603 H HB3 . CYS A 1 38 ? 35.376 6.694 13.914 1.00 11.11 ? ? ? ? ? ? 38 CYS A HB3 1 +ATOM 604 N N . ARG A 1 39 ? 36.341 7.375 10.042 1.00 12.46 ? ? ? ? ? ? 39 ARG A N 1 +ATOM 605 C CA . ARG A 1 39 ? 37.025 7.056 8.805 1.00 14.63 ? ? ? ? ? ? 39 ARG A CA 1 +ATOM 606 C C . ARG A 1 39 ? 36.187 7.227 7.520 1.00 12.13 ? ? ? ? ? ? 39 ARG A C 1 +ATOM 607 O O . ARG A 1 39 ? 36.332 6.391 6.640 1.00 13.93 ? ? ? ? ? ? 39 ARG A O 1 +ATOM 608 C CB . ARG A 1 39 ? 37.538 5.625 8.866 1.00 18.16 ? ? ? ? ? ? 39 ARG A CB 1 +ATOM 609 C CG . ARG A 1 39 ? 38.516 5.562 10.066 1.00 22.63 ? ? ? ? ? ? 39 ARG A CG 1 +ATOM 610 C CD . ARG A 1 39 ? 39.107 4.166 10.098 1.00 26.10 ? ? ? ? ? ? 39 ARG A CD 1 +ATOM 611 N NE . ARG A 1 39 ? 39.805 4.035 11.371 1.00 30.83 ? ? ? ? ? ? 39 ARG A NE 1 +ATOM 612 C CZ . ARG A 1 39 ? 40.590 3.032 11.775 1.00 32.34 ? ? ? ? ? ? 39 ARG A CZ 1 +ATOM 613 N NH1 . ARG A 1 39 ? 40.823 1.964 11.024 1.00 33.18 ? ? ? ? ? ? 39 ARG A NH1 1 +ATOM 614 N NH2 . ARG A 1 39 ? 41.144 3.105 12.987 1.00 33.57 ? ? ? ? ? ? 39 ARG A NH2 1 +ATOM 615 D D . ARG A 1 39 ? 36.670 8.142 10.540 1.00 12.82 ? ? ? ? ? ? 39 ARG A D 1 +ATOM 616 H HA . ARG A 1 39 ? 37.858 7.741 8.595 1.00 13.15 ? ? ? ? ? ? 39 ARG A HA 1 +ATOM 617 H HB2 . ARG A 1 39 ? 36.821 4.846 9.058 1.00 18.94 ? ? ? ? ? ? 39 ARG A HB2 1 +ATOM 618 H HB3 . ARG A 1 39 ? 38.127 5.322 8.011 1.00 18.72 ? ? ? ? ? ? 39 ARG A HB3 1 +ATOM 619 H HG2 . ARG A 1 39 ? 39.277 6.303 10.090 1.00 22.77 ? ? ? ? ? ? 39 ARG A HG2 1 +ATOM 620 H HG3 . ARG A 1 39 ? 38.016 5.637 10.981 1.00 22.29 ? ? ? ? ? ? 39 ARG A HG3 1 +ATOM 621 H HD2 . ARG A 1 39 ? 38.282 3.473 10.078 1.00 26.48 ? ? ? ? ? ? 39 ARG A HD2 1 +ATOM 622 H HD3 . ARG A 1 39 ? 39.633 4.052 9.207 1.00 26.96 ? ? ? ? ? ? 39 ARG A HD3 1 +ATOM 623 D DE . ARG A 1 39 ? 39.685 4.801 12.039 1.00 31.59 ? ? ? ? ? ? 39 ARG A DE 1 +ATOM 624 D DH11 . ARG A 1 39 ? 40.376 1.948 10.092 1.00 32.83 ? ? ? ? ? ? 39 ARG A DH11 1 +ATOM 625 D DH12 . ARG A 1 39 ? 41.429 1.235 11.413 1.00 32.46 ? ? ? ? ? ? 39 ARG A DH12 1 +ATOM 626 D DH21 . ARG A 1 39 ? 41.037 3.833 13.662 1.00 33.14 ? ? ? ? ? ? 39 ARG A DH21 1 +ATOM 627 D DH22 . ARG A 1 39 ? 41.738 2.325 13.284 1.00 33.33 ? ? ? ? ? ? 39 ARG A DH22 1 +ATOM 628 N N . ALA A 1 40 ? 35.456 8.280 7.530 1.00 11.13 ? ? ? ? ? ? 40 ALA A N 1 +ATOM 629 C CA . ALA A 1 40 ? 34.631 8.632 6.385 1.00 12.22 ? ? ? ? ? ? 40 ALA A CA 1 +ATOM 630 C C . ALA A 1 40 ? 35.497 8.734 5.135 1.00 13.37 ? ? ? ? ? ? 40 ALA A C 1 +ATOM 631 O O . ALA A 1 40 ? 36.687 9.115 5.137 1.00 14.12 ? ? ? ? ? ? 40 ALA A O 1 +ATOM 632 C CB . ALA A 1 40 ? 33.941 9.981 6.542 1.00 11.96 ? ? ? ? ? ? 40 ALA A CB 1 +ATOM 633 D D . ALA A 1 40 ? 35.340 8.972 8.208 1.00 12.73 ? ? ? ? ? ? 40 ALA A D 1 +ATOM 634 H HA . ALA A 1 40 ? 33.879 7.870 6.308 1.00 12.14 ? ? ? ? ? ? 40 ALA A HA 1 +ATOM 635 H HB1 . ALA A 1 40 ? 34.528 10.829 6.846 1.00 12.60 ? ? ? ? ? ? 40 ALA A HB1 1 +ATOM 636 H HB2 . ALA A 1 40 ? 33.456 10.198 5.563 1.00 12.13 ? ? ? ? ? ? 40 ALA A HB2 1 +ATOM 637 H HB3 . ALA A 1 40 ? 33.155 9.774 7.271 1.00 11.94 ? ? ? ? ? ? 40 ALA A HB3 1 +ATOM 638 N N . LYS A 1 41 ? 34.889 8.428 4.019 1.00 12.73 ? ? ? ? ? ? 41 LYS A N 1 +ATOM 639 C CA . LYS A 1 41 ? 35.456 8.549 2.638 1.00 12.34 ? ? ? ? ? ? 41 LYS A CA 1 +ATOM 640 C C . LYS A 1 41 ? 34.782 9.775 2.026 1.00 11.42 ? ? ? ? ? ? 41 LYS A C 1 +ATOM 641 O O . LYS A 1 41 ? 33.938 10.501 2.638 1.00 12.35 ? ? ? ? ? ? 41 LYS A O 1 +ATOM 642 C CB . LYS A 1 41 ? 35.426 7.283 1.843 1.00 15.66 ? ? ? ? ? ? 41 LYS A CB 1 +ATOM 643 C CG . LYS A 1 41 ? 36.330 6.177 2.314 1.00 17.23 ? ? ? ? ? ? 41 LYS A CG 1 +ATOM 644 C CD . LYS A 1 41 ? 36.220 4.925 1.492 1.00 21.83 ? ? ? ? ? ? 41 LYS A CD 1 +ATOM 645 C CE . LYS A 1 41 ? 36.972 3.830 2.249 1.00 24.86 ? ? ? ? ? ? 41 LYS A CE 1 +ATOM 646 N NZ . LYS A 1 41 ? 38.430 4.086 2.238 1.00 26.80 ? ? ? ? ? ? 41 LYS A NZ 1 +ATOM 647 D D . LYS A 1 41 ? 33.904 8.208 4.062 1.00 14.44 ? ? ? ? ? ? 41 LYS A D 1 +ATOM 648 H HA . LYS A 1 41 ? 36.456 8.823 2.962 1.00 13.22 ? ? ? ? ? ? 41 LYS A HA 1 +ATOM 649 H HB2 . LYS A 1 41 ? 34.348 7.148 1.817 1.00 14.20 ? ? ? ? ? ? 41 LYS A HB2 1 +ATOM 650 H HB3 . LYS A 1 41 ? 35.594 7.443 0.755 1.00 14.27 ? ? ? ? ? ? 41 LYS A HB3 1 +ATOM 651 H HG2 . LYS A 1 41 ? 37.409 6.485 2.376 1.00 18.75 ? ? ? ? ? ? 41 LYS A HG2 1 +ATOM 652 H HG3 . LYS A 1 41 ? 36.049 5.955 3.369 1.00 17.95 ? ? ? ? ? ? 41 LYS A HG3 1 +ATOM 653 H HD2 . LYS A 1 41 ? 35.216 4.451 1.494 1.00 20.99 ? ? ? ? ? ? 41 LYS A HD2 1 +ATOM 654 H HD3 . LYS A 1 41 ? 36.531 4.849 0.453 1.00 21.24 ? ? ? ? ? ? 41 LYS A HD3 1 +ATOM 655 H HE2 . LYS A 1 41 ? 36.740 3.973 3.315 1.00 24.44 ? ? ? ? ? ? 41 LYS A HE2 1 +ATOM 656 H HE3 . LYS A 1 41 ? 36.742 2.821 1.974 1.00 24.67 ? ? ? ? ? ? 41 LYS A HE3 1 +ATOM 657 D DZ1 . LYS A 1 41 ? 38.697 5.072 2.091 1.00 27.28 ? ? ? ? ? ? 41 LYS A DZ1 1 +ATOM 658 D DZ2 . LYS A 1 41 ? 38.774 3.778 3.195 1.00 28.13 ? ? ? ? ? ? 41 LYS A DZ2 1 +ATOM 659 D DZ3 . LYS A 1 41 ? 38.960 3.393 1.688 1.00 27.94 ? ? ? ? ? ? 41 LYS A DZ3 1 +ATOM 660 N N . ARG A 1 42 ? 35.115 10.128 0.777 1.00 9.56 ? ? ? ? ? ? 42 ARG A N 1 +ATOM 661 C CA . ARG A 1 42 ? 34.659 11.372 0.167 1.00 9.93 ? ? ? ? ? ? 42 ARG A CA 1 +ATOM 662 C C . ARG A 1 42 ? 33.178 11.332 -0.259 1.00 7.40 ? ? ? ? ? ? 42 ARG A C 1 +ATOM 663 O O . ARG A 1 42 ? 32.599 12.401 -0.162 1.00 9.71 ? ? ? ? ? ? 42 ARG A O 1 +ATOM 664 C CB . ARG A 1 42 ? 35.554 11.797 -0.960 1.00 10.35 ? ? ? ? ? ? 42 ARG A CB 1 +ATOM 665 C CG . ARG A 1 42 ? 36.918 12.265 -0.568 1.00 13.91 ? ? ? ? ? ? 42 ARG A CG 1 +ATOM 666 C CD . ARG A 1 42 ? 37.957 12.565 -1.588 1.00 15.78 ? ? ? ? ? ? 42 ARG A CD 1 +ATOM 667 N NE . ARG A 1 42 ? 38.393 11.235 -1.972 1.00 21.96 ? ? ? ? ? ? 42 ARG A NE 1 +ATOM 668 C CZ . ARG A 1 42 ? 39.092 10.993 -3.114 1.00 24.68 ? ? ? ? ? ? 42 ARG A CZ 1 +ATOM 669 N NH1 . ARG A 1 42 ? 39.486 11.979 -3.942 1.00 25.19 ? ? ? ? ? ? 42 ARG A NH1 1 +ATOM 670 N NH2 . ARG A 1 42 ? 39.446 9.734 -3.428 1.00 26.22 ? ? ? ? ? ? 42 ARG A NH2 1 +ATOM 671 D D . ARG A 1 42 ? 35.813 9.575 0.318 1.00 11.76 ? ? ? ? ? ? 42 ARG A D 1 +ATOM 672 H HA . ARG A 1 42 ? 34.712 12.168 0.950 1.00 8.89 ? ? ? ? ? ? 42 ARG A HA 1 +ATOM 673 H HB2 . ARG A 1 42 ? 35.629 10.967 -1.690 1.00 11.16 ? ? ? ? ? ? 42 ARG A HB2 1 +ATOM 674 H HB3 . ARG A 1 42 ? 35.017 12.458 -1.640 1.00 11.51 ? ? ? ? ? ? 42 ARG A HB3 1 +ATOM 675 H HG2 . ARG A 1 42 ? 36.981 13.025 0.221 1.00 12.33 ? ? ? ? ? ? 42 ARG A HG2 1 +ATOM 676 H HG3 . ARG A 1 42 ? 37.355 11.538 0.099 1.00 11.94 ? ? ? ? ? ? 42 ARG A HG3 1 +ATOM 677 H HD2 . ARG A 1 42 ? 37.373 13.009 -2.423 1.00 17.32 ? ? ? ? ? ? 42 ARG A HD2 1 +ATOM 678 H HD3 . ARG A 1 42 ? 38.645 13.283 -1.256 1.00 17.71 ? ? ? ? ? ? 42 ARG A HD3 1 +ATOM 679 D DE . ARG A 1 42 ? 38.164 10.450 -1.415 1.00 22.92 ? ? ? ? ? ? 42 ARG A DE 1 +ATOM 680 D DH11 . ARG A 1 42 ? 40.007 11.665 -4.784 1.00 24.97 ? ? ? ? ? ? 42 ARG A DH11 1 +ATOM 681 D DH12 . ARG A 1 42 ? 39.258 12.965 -3.814 1.00 24.43 ? ? ? ? ? ? 42 ARG A DH12 1 +ATOM 682 D DH21 . ARG A 1 42 ? 39.244 8.893 -2.906 1.00 25.17 ? ? ? ? ? ? 42 ARG A DH21 1 +ATOM 683 D DH22 . ARG A 1 42 ? 39.963 9.580 -4.300 1.00 25.13 ? ? ? ? ? ? 42 ARG A DH22 1 +ATOM 684 N N . ASN A 1 43 ? 32.662 10.208 -0.618 1.00 7.80 ? ? ? ? ? ? 43 ASN A N 1 +ATOM 685 C CA . ASN A 1 43 ? 31.235 10.157 -1.075 1.00 7.75 ? ? ? ? ? ? 43 ASN A CA 1 +ATOM 686 C C . ASN A 1 43 ? 30.363 9.898 0.175 1.00 7.34 ? ? ? ? ? ? 43 ASN A C 1 +ATOM 687 O O . ASN A 1 43 ? 29.830 8.807 0.431 1.00 7.64 ? ? ? ? ? ? 43 ASN A O 1 +ATOM 688 C CB . ASN A 1 43 ? 31.158 9.006 -2.072 1.00 8.94 ? ? ? ? ? ? 43 ASN A CB 1 +ATOM 689 C CG . ASN A 1 43 ? 29.799 9.033 -2.770 1.00 8.97 ? ? ? ? ? ? 43 ASN A CG 1 +ATOM 690 O OD1 . ASN A 1 43 ? 29.002 9.968 -2.653 1.00 9.17 ? ? ? ? ? ? 43 ASN A OD1 1 +ATOM 691 N ND2 . ASN A 1 43 ? 29.533 8.007 -3.503 1.00 10.14 ? ? ? ? ? ? 43 ASN A ND2 1 +ATOM 692 D D . ASN A 1 43 ? 33.214 9.377 -0.662 1.00 8.50 ? ? ? ? ? ? 43 ASN A D 1 +ATOM 693 H HA . ASN A 1 43 ? 31.097 11.126 -1.506 1.00 9.50 ? ? ? ? ? ? 43 ASN A HA 1 +ATOM 694 H HB2 . ASN A 1 43 ? 31.986 9.096 -2.796 1.00 7.95 ? ? ? ? ? ? 43 ASN A HB2 1 +ATOM 695 H HB3 . ASN A 1 43 ? 31.442 8.069 -1.533 1.00 8.39 ? ? ? ? ? ? 43 ASN A HB3 1 +ATOM 696 D DD21 . ASN A 1 43 ? 30.286 7.249 -3.480 1.00 13.15 ? ? ? ? ? ? 43 ASN A DD21 1 +ATOM 697 D DD22 . ASN A 1 43 ? 28.694 7.778 -4.043 1.00 12.66 ? ? ? ? ? ? 43 ASN A DD22 1 +ATOM 698 N N . ASN A 1 44 ? 30.329 10.926 0.929 1.00 7.27 ? ? ? ? ? ? 44 ASN A N 1 +ATOM 699 C CA . ASN A 1 44 ? 29.680 10.998 2.281 1.00 8.28 ? ? ? ? ? ? 44 ASN A CA 1 +ATOM 700 C C . ASN A 1 44 ? 29.441 12.481 2.513 1.00 7.79 ? ? ? ? ? ? 44 ASN A C 1 +ATOM 701 O O . ASN A 1 44 ? 30.374 13.253 2.640 1.00 9.89 ? ? ? ? ? ? 44 ASN A O 1 +ATOM 702 C CB . ASN A 1 44 ? 30.579 10.298 3.287 1.00 9.05 ? ? ? ? ? ? 44 ASN A CB 1 +ATOM 703 C CG . ASN A 1 44 ? 30.097 10.342 4.770 1.00 10.15 ? ? ? ? ? ? 44 ASN A CG 1 +ATOM 704 O OD1 . ASN A 1 44 ? 29.353 11.223 5.157 1.00 11.10 ? ? ? ? ? ? 44 ASN A OD1 1 +ATOM 705 N ND2 . ASN A 1 44 ? 30.593 9.396 5.525 1.00 10.18 ? ? ? ? ? ? 44 ASN A ND2 1 +ATOM 706 D D . ASN A 1 44 ? 30.784 11.813 0.848 1.00 8.27 ? ? ? ? ? ? 44 ASN A D 1 +ATOM 707 H HA . ASN A 1 44 ? 28.831 10.413 2.219 1.00 7.51 ? ? ? ? ? ? 44 ASN A HA 1 +ATOM 708 H HB2 . ASN A 1 44 ? 30.842 9.286 3.128 1.00 10.20 ? ? ? ? ? ? 44 ASN A HB2 1 +ATOM 709 H HB3 . ASN A 1 44 ? 31.523 10.823 3.352 1.00 9.86 ? ? ? ? ? ? 44 ASN A HB3 1 +ATOM 710 D DD21 . ASN A 1 44 ? 30.296 9.403 6.524 1.00 11.65 ? ? ? ? ? ? 44 ASN A DD21 1 +ATOM 711 D DD22 . ASN A 1 44 ? 31.216 8.687 5.150 1.00 9.99 ? ? ? ? ? ? 44 ASN A DD22 1 +ATOM 712 N N . PHE A 1 45 ? 28.153 12.815 2.580 1.00 7.78 ? ? ? ? ? ? 45 PHE A N 1 +ATOM 713 C CA . PHE A 1 45 ? 27.732 14.188 2.696 1.00 9.51 ? ? ? ? ? ? 45 PHE A CA 1 +ATOM 714 C C . PHE A 1 45 ? 26.649 14.315 3.805 1.00 10.10 ? ? ? ? ? ? 45 PHE A C 1 +ATOM 715 O O . PHE A 1 45 ? 25.856 13.419 4.021 1.00 9.63 ? ? ? ? ? ? 45 PHE A O 1 +ATOM 716 C CB . PHE A 1 45 ? 27.054 14.595 1.345 1.00 11.02 ? ? ? ? ? ? 45 PHE A CB 1 +ATOM 717 C CG . PHE A 1 45 ? 27.916 14.462 0.140 1.00 10.38 ? ? ? ? ? ? 45 PHE A CG 1 +ATOM 718 C CD1 . PHE A 1 45 ? 27.953 13.294 -0.602 1.00 11.42 ? ? ? ? ? ? 45 PHE A CD1 1 +ATOM 719 C CD2 . PHE A 1 45 ? 28.752 15.525 -0.138 1.00 11.42 ? ? ? ? ? ? 45 PHE A CD2 1 +ATOM 720 C CE1 . PHE A 1 45 ? 28.783 13.173 -1.704 1.00 10.82 ? ? ? ? ? ? 45 PHE A CE1 1 +ATOM 721 C CE2 . PHE A 1 45 ? 29.615 15.424 -1.250 1.00 11.73 ? ? ? ? ? ? 45 PHE A CE2 1 +ATOM 722 C CZ . PHE A 1 45 ? 29.599 14.241 -1.990 1.00 11.68 ? ? ? ? ? ? 45 PHE A CZ 1 +ATOM 723 H H . PHE A 1 45 ? 27.398 12.157 2.411 1.00 9.18 ? ? ? ? ? ? 45 PHE A H 1 +ATOM 724 H HA . PHE A 1 45 ? 28.527 14.889 2.741 1.00 10.24 ? ? ? ? ? ? 45 PHE A HA 1 +ATOM 725 H HB2 . PHE A 1 45 ? 26.350 13.759 1.326 1.00 9.92 ? ? ? ? ? ? 45 PHE A HB2 1 +ATOM 726 H HB3 . PHE A 1 45 ? 26.487 15.501 1.444 1.00 10.03 ? ? ? ? ? ? 45 PHE A HB3 1 +ATOM 727 H HD1 . PHE A 1 45 ? 27.341 12.513 -0.316 1.00 11.59 ? ? ? ? ? ? 45 PHE A HD1 1 +ATOM 728 H HD2 . PHE A 1 45 ? 28.699 16.440 0.415 1.00 11.56 ? ? ? ? ? ? 45 PHE A HD2 1 +ATOM 729 H HE1 . PHE A 1 45 ? 28.840 12.308 -2.293 1.00 11.54 ? ? ? ? ? ? 45 PHE A HE1 1 +ATOM 730 H HE2 . PHE A 1 45 ? 30.188 16.207 -1.556 1.00 11.41 ? ? ? ? ? ? 45 PHE A HE2 1 +ATOM 731 H HZ . PHE A 1 45 ? 30.224 14.157 -2.851 1.00 10.58 ? ? ? ? ? ? 45 PHE A HZ 1 +ATOM 732 N N . LYS A 1 46 ? 26.654 15.523 4.326 1.00 13.15 ? ? ? ? ? ? 46 LYS A N 1 +ATOM 733 C CA . LYS A 1 46 ? 25.670 15.810 5.399 1.00 15.31 ? ? ? ? ? ? 46 LYS A CA 1 +ATOM 734 C C . LYS A 1 46 ? 24.360 16.291 4.876 1.00 14.98 ? ? ? ? ? ? 46 LYS A C 1 +ATOM 735 O O . LYS A 1 46 ? 23.386 16.226 5.649 1.00 16.56 ? ? ? ? ? ? 46 LYS A O 1 +ATOM 736 C CB . LYS A 1 46 ? 26.188 16.720 6.512 1.00 17.44 ? ? ? ? ? ? 46 LYS A CB 1 +ATOM 737 C CG . LYS A 1 46 ? 27.318 16.084 7.335 1.00 19.58 ? ? ? ? ? ? 46 LYS A CG 1 +ATOM 738 C CD . LYS A 1 46 ? 27.843 17.081 8.391 1.00 22.85 ? ? ? ? ? ? 46 LYS A CD 1 +ATOM 739 C CE . LYS A 1 46 ? 29.236 16.576 8.669 1.00 24.99 ? ? ? ? ? ? 46 LYS A CE 1 +ATOM 740 N NZ . LYS A 1 46 ? 29.962 17.327 9.705 1.00 27.16 ? ? ? ? ? ? 46 LYS A NZ 1 +ATOM 741 D D . LYS A 1 46 ? 27.344 16.221 4.047 1.00 11.41 ? ? ? ? ? ? 46 LYS A D 1 +ATOM 742 H HA . LYS A 1 46 ? 25.458 14.851 5.822 1.00 14.17 ? ? ? ? ? ? 46 LYS A HA 1 +ATOM 743 H HB2 . LYS A 1 46 ? 26.587 17.609 5.990 1.00 17.47 ? ? ? ? ? ? 46 LYS A HB2 1 +ATOM 744 H HB3 . LYS A 1 46 ? 25.404 16.946 7.222 1.00 17.90 ? ? ? ? ? ? 46 LYS A HB3 1 +ATOM 745 H HG2 . LYS A 1 46 ? 27.027 15.200 7.891 1.00 20.31 ? ? ? ? ? ? 46 LYS A HG2 1 +ATOM 746 H HG3 . LYS A 1 46 ? 28.203 15.916 6.737 1.00 20.28 ? ? ? ? ? ? 46 LYS A HG3 1 +ATOM 747 H HD2 . LYS A 1 46 ? 28.122 17.991 7.798 1.00 22.17 ? ? ? ? ? ? 46 LYS A HD2 1 +ATOM 748 H HD3 . LYS A 1 46 ? 27.135 17.420 9.101 1.00 22.77 ? ? ? ? ? ? 46 LYS A HD3 1 +ATOM 749 H HE2 . LYS A 1 46 ? 29.175 15.510 8.907 1.00 24.93 ? ? ? ? ? ? 46 LYS A HE2 1 +ATOM 750 H HE3 . LYS A 1 46 ? 29.805 16.640 7.728 1.00 25.66 ? ? ? ? ? ? 46 LYS A HE3 1 +ATOM 751 D DZ1 . LYS A 1 46 ? 29.318 17.242 10.520 1.00 26.85 ? ? ? ? ? ? 46 LYS A DZ1 1 +ATOM 752 D DZ2 . LYS A 1 46 ? 30.949 17.000 9.856 1.00 27.02 ? ? ? ? ? ? 46 LYS A DZ2 1 +ATOM 753 D DZ3 . LYS A 1 46 ? 30.127 18.313 9.416 1.00 27.47 ? ? ? ? ? ? 46 LYS A DZ3 1 +ATOM 754 N N . SER A 1 47 ? 24.337 16.734 3.622 1.00 15.47 ? ? ? ? ? ? 47 SER A N 1 +ATOM 755 C CA . SER A 1 47 ? 23.068 17.191 3.061 1.00 15.09 ? ? ? ? ? ? 47 SER A CA 1 +ATOM 756 C C . SER A 1 47 ? 22.980 16.742 1.594 1.00 14.56 ? ? ? ? ? ? 47 SER A C 1 +ATOM 757 O O . SER A 1 47 ? 24.015 16.567 0.916 1.00 13.03 ? ? ? ? ? ? 47 SER A O 1 +ATOM 758 C CB . SER A 1 47 ? 22.880 18.711 3.060 1.00 15.63 ? ? ? ? ? ? 47 SER A CB 1 +ATOM 759 O OG . SER A 1 47 ? 23.822 19.258 2.193 1.00 16.91 ? ? ? ? ? ? 47 SER A OG 1 +ATOM 760 D D . SER A 1 47 ? 25.180 16.751 3.053 1.00 15.56 ? ? ? ? ? ? 47 SER A D 1 +ATOM 761 H HA . SER A 1 47 ? 22.206 16.804 3.574 1.00 15.83 ? ? ? ? ? ? 47 SER A HA 1 +ATOM 762 H HB2 . SER A 1 47 ? 21.900 18.919 2.598 1.00 16.01 ? ? ? ? ? ? 47 SER A HB2 1 +ATOM 763 H HB3 . SER A 1 47 ? 22.965 19.264 4.004 1.00 15.86 ? ? ? ? ? ? 47 SER A HB3 1 +ATOM 764 D DG . SER A 1 47 ? 24.248 20.035 2.505 1.00 19.57 ? ? ? ? ? ? 47 SER A DG 1 +ATOM 765 N N . ALA A 1 48 ? 21.747 16.565 1.233 1.00 14.50 ? ? ? ? ? ? 48 ALA A N 1 +ATOM 766 C CA . ALA A 1 48 ? 21.452 16.202 -0.192 1.00 15.49 ? ? ? ? ? ? 48 ALA A CA 1 +ATOM 767 C C . ALA A 1 48 ? 21.889 17.264 -1.204 1.00 14.13 ? ? ? ? ? ? 48 ALA A C 1 +ATOM 768 O O . ALA A 1 48 ? 22.320 16.959 -2.338 1.00 13.28 ? ? ? ? ? ? 48 ALA A O 1 +ATOM 769 C CB . ALA A 1 48 ? 19.991 15.849 -0.356 1.00 16.34 ? ? ? ? ? ? 48 ALA A CB 1 +ATOM 770 D D . ALA A 1 48 ? 20.954 16.674 1.802 1.00 15.14 ? ? ? ? ? ? 48 ALA A D 1 +ATOM 771 H HA . ALA A 1 48 ? 22.244 15.481 -0.310 1.00 14.31 ? ? ? ? ? ? 48 ALA A HA 1 +ATOM 772 H HB1 . ALA A 1 48 ? 19.319 16.642 -0.038 1.00 15.97 ? ? ? ? ? ? 48 ALA A HB1 1 +ATOM 773 H HB2 . ALA A 1 48 ? 19.800 15.524 -1.385 1.00 16.04 ? ? ? ? ? ? 48 ALA A HB2 1 +ATOM 774 H HB3 . ALA A 1 48 ? 19.794 14.988 0.281 1.00 16.24 ? ? ? ? ? ? 48 ALA A HB3 1 +ATOM 775 N N . GLU A 1 49 ? 21.835 18.530 -0.819 1.00 14.30 ? ? ? ? ? ? 49 GLU A N 1 +ATOM 776 C CA . GLU A 1 49 ? 22.235 19.620 -1.652 1.00 16.73 ? ? ? ? ? ? 49 GLU A CA 1 +ATOM 777 C C . GLU A 1 49 ? 23.740 19.554 -1.891 1.00 14.46 ? ? ? ? ? ? 49 GLU A C 1 +ATOM 778 O O . GLU A 1 49 ? 24.137 19.730 -3.053 1.00 14.56 ? ? ? ? ? ? 49 GLU A O 1 +ATOM 779 C CB . GLU A 1 49 ? 21.766 20.869 -0.865 1.00 21.56 ? ? ? ? ? ? 49 GLU A CB 1 +ATOM 780 C CG . GLU A 1 49 ? 20.367 20.737 -0.179 1.00 26.75 ? ? ? ? ? ? 49 GLU A CG 1 +ATOM 781 C CD . GLU A 1 49 ? 19.919 19.894 0.994 1.00 29.54 ? ? ? ? ? ? 49 GLU A CD 1 +ATOM 782 O OE1 . GLU A 1 49 ? 19.414 18.784 1.212 1.00 32.40 ? ? ? ? ? ? 49 GLU A OE1 1 +ATOM 783 O OE2 . GLU A 1 49 ? 19.912 20.253 2.202 1.00 34.26 ? ? ? ? ? ? 49 GLU A OE2 1 +ATOM 784 D D . GLU A 1 49 ? 21.514 18.770 0.081 1.00 15.94 ? ? ? ? ? ? 49 GLU A D 1 +ATOM 785 H HA . GLU A 1 49 ? 21.885 19.789 -2.644 1.00 17.10 ? ? ? ? ? ? 49 GLU A HA 1 +ATOM 786 H HB2 . GLU A 1 49 ? 22.360 20.677 0.079 1.00 21.05 ? ? ? ? ? ? 49 GLU A HB2 1 +ATOM 787 H HB3 . GLU A 1 49 ? 22.360 21.702 -1.159 1.00 21.64 ? ? ? ? ? ? 49 GLU A HB3 1 +ATOM 788 H HG2 . GLU A 1 49 ? 20.001 21.722 0.047 1.00 26.97 ? ? ? ? ? ? 49 GLU A HG2 1 +ATOM 789 H HG3 . GLU A 1 49 ? 19.803 20.281 -0.976 1.00 26.35 ? ? ? ? ? ? 49 GLU A HG3 1 +ATOM 790 N N . ASP A 1 50 ? 24.537 19.331 -0.858 1.00 14.10 ? ? ? ? ? ? 50 ASP A N 1 +ATOM 791 C CA . ASP A 1 50 ? 25.961 19.288 -1.082 1.00 13.93 ? ? ? ? ? ? 50 ASP A CA 1 +ATOM 792 C C . ASP A 1 50 ? 26.280 18.071 -1.961 1.00 11.78 ? ? ? ? ? ? 50 ASP A C 1 +ATOM 793 O O . ASP A 1 50 ? 27.149 18.165 -2.795 1.00 12.10 ? ? ? ? ? ? 50 ASP A O 1 +ATOM 794 C CB . ASP A 1 50 ? 26.695 18.778 0.111 1.00 18.61 ? ? ? ? ? ? 50 ASP A CB 1 +ATOM 795 C CG . ASP A 1 50 ? 27.499 19.674 0.972 1.00 25.48 ? ? ? ? ? ? 50 ASP A CG 1 +ATOM 796 O OD1 . ASP A 1 50 ? 26.759 20.572 1.375 1.00 29.01 ? ? ? ? ? ? 50 ASP A OD1 1 +ATOM 797 O OD2 . ASP A 1 50 ? 28.655 19.195 1.020 1.00 27.88 ? ? ? ? ? ? 50 ASP A OD2 1 +ATOM 798 D D . ASP A 1 50 ? 24.173 19.185 0.045 1.00 14.90 ? ? ? ? ? ? 50 ASP A D 1 +ATOM 799 H HA . ASP A 1 50 ? 26.388 20.193 -1.435 1.00 14.65 ? ? ? ? ? ? 50 ASP A HA 1 +ATOM 800 H HB2 . ASP A 1 50 ? 26.126 18.142 0.783 1.00 18.57 ? ? ? ? ? ? 50 ASP A HB2 1 +ATOM 801 H HB3 . ASP A 1 50 ? 27.390 17.949 -0.167 1.00 19.69 ? ? ? ? ? ? 50 ASP A HB3 1 +ATOM 802 N N . CYS A 1 51 ? 25.605 16.956 -1.732 1.00 10.22 ? ? ? ? ? ? 51 CYS A N 1 +ATOM 803 C CA . CYS A 1 51 ? 25.822 15.753 -2.493 1.00 10.57 ? ? ? ? ? ? 51 CYS A CA 1 +ATOM 804 C C . CYS A 1 51 ? 25.591 15.998 -3.994 1.00 11.23 ? ? ? ? ? ? 51 CYS A C 1 +ATOM 805 O O . CYS A 1 51 ? 26.397 15.689 -4.871 1.00 11.33 ? ? ? ? ? ? 51 CYS A O 1 +ATOM 806 C CB . CYS A 1 51 ? 24.941 14.644 -1.926 1.00 9.71 ? ? ? ? ? ? 51 CYS A CB 1 +ATOM 807 S SG . CYS A 1 51 ? 25.055 13.060 -2.815 1.00 10.82 ? ? ? ? ? ? 51 CYS A SG 1 +ATOM 808 D D . CYS A 1 51 ? 24.881 16.926 -1.041 1.00 11.98 ? ? ? ? ? ? 51 CYS A D 1 +ATOM 809 H HA . CYS A 1 51 ? 26.840 15.447 -2.313 1.00 9.86 ? ? ? ? ? ? 51 CYS A HA 1 +ATOM 810 H HB2 . CYS A 1 51 ? 25.207 14.370 -0.935 1.00 9.50 ? ? ? ? ? ? 51 CYS A HB2 1 +ATOM 811 H HB3 . CYS A 1 51 ? 23.907 14.950 -1.834 1.00 10.27 ? ? ? ? ? ? 51 CYS A HB3 1 +ATOM 812 N N . MET A 1 52 ? 24.405 16.565 -4.212 1.00 12.19 ? ? ? ? ? ? 52 MET A N 1 +ATOM 813 C CA . MET A 1 52 ? 23.975 16.860 -5.592 1.00 15.04 ? ? ? ? ? ? 52 MET A CA 1 +ATOM 814 C C . MET A 1 52 ? 24.865 17.909 -6.259 1.00 15.23 ? ? ? ? ? ? 52 MET A C 1 +ATOM 815 O O . MET A 1 52 ? 25.254 17.714 -7.432 1.00 16.42 ? ? ? ? ? ? 52 MET A O 1 +ATOM 816 C CB . MET A 1 52 ? 22.481 17.237 -5.692 1.00 16.60 ? ? ? ? ? ? 52 MET A CB 1 +ATOM 817 C CG A MET A 1 52 ? 21.619 16.002 -5.527 0.50 16.58 ? ? ? ? ? ? 52 MET A CG 1 +ATOM 818 C CG B MET A 1 52 ? 21.536 16.149 -5.278 0.50 19.07 ? ? ? ? ? ? 52 MET A CG 1 +ATOM 819 S SD A MET A 1 52 ? 21.684 14.673 -6.752 0.50 17.21 ? ? ? ? ? ? 52 MET A SD 1 +ATOM 820 S SD B MET A 1 52 ? 19.845 16.563 -5.694 0.50 21.60 ? ? ? ? ? ? 52 MET A SD 1 +ATOM 821 C CE A MET A 1 52 ? 20.896 15.481 -8.152 0.50 17.25 ? ? ? ? ? ? 52 MET A CE 1 +ATOM 822 C CE B MET A 1 52 ? 19.639 18.241 -5.038 0.50 20.98 ? ? ? ? ? ? 52 MET A CE 1 +ATOM 823 D D . MET A 1 52 ? 23.741 16.776 -3.521 1.00 11.71 ? ? ? ? ? ? 52 MET A D 1 +ATOM 824 H HA . MET A 1 52 ? 24.027 15.986 -6.232 1.00 14.64 ? ? ? ? ? ? 52 MET A HA 1 +ATOM 825 H HB2 . MET A 1 52 ? 22.275 18.123 -5.117 1.00 16.08 ? ? ? ? ? ? 52 MET A HB2 1 +ATOM 826 H HB3 . MET A 1 52 ? 22.460 17.461 -6.770 1.00 15.52 ? ? ? ? ? ? 52 MET A HB3 1 +ATOM 827 H HG2 A MET A 1 52 ? 22.023 15.418 -4.676 0.50 16.82 ? ? ? ? ? ? 52 MET A HG2 1 +ATOM 828 H HG2 B MET A 1 52 ? 21.648 15.214 -5.841 0.50 19.25 ? ? ? ? ? ? 52 MET A HG2 1 +ATOM 829 H HG3 A MET A 1 52 ? 20.574 16.201 -5.322 0.50 16.79 ? ? ? ? ? ? 52 MET A HG3 1 +ATOM 830 H HG3 B MET A 1 52 ? 21.552 15.928 -4.213 0.50 19.04 ? ? ? ? ? ? 52 MET A HG3 1 +ATOM 831 H HE1 A MET A 1 52 ? 21.506 16.358 -8.341 0.50 17.36 ? ? ? ? ? ? 52 MET A HE1 1 +ATOM 832 H HE1 B MET A 1 52 ? 20.257 18.263 -4.174 0.50 20.84 ? ? ? ? ? ? 52 MET A HE1 1 +ATOM 833 H HE2 A MET A 1 52 ? 21.243 14.908 -9.046 0.50 16.78 ? ? ? ? ? ? 52 MET A HE2 1 +ATOM 834 H HE2 B MET A 1 52 ? 20.012 18.845 -5.860 0.50 20.71 ? ? ? ? ? ? 52 MET A HE2 1 +ATOM 835 H HE3 A MET A 1 52 ? 19.853 15.441 -8.108 0.50 17.36 ? ? ? ? ? ? 52 MET A HE3 1 +ATOM 836 H HE3 B MET A 1 52 ? 18.576 18.325 -4.893 0.50 20.87 ? ? ? ? ? ? 52 MET A HE3 1 +ATOM 837 N N . ARG A 1 53 ? 25.206 18.931 -5.556 1.00 17.25 ? ? ? ? ? ? 53 ARG A N 1 +ATOM 838 C CA . ARG A 1 53 ? 26.111 19.970 -6.044 1.00 19.58 ? ? ? ? ? ? 53 ARG A CA 1 +ATOM 839 C C . ARG A 1 53 ? 27.493 19.419 -6.400 1.00 19.14 ? ? ? ? ? ? 53 ARG A C 1 +ATOM 840 O O . ARG A 1 53 ? 28.105 19.894 -7.379 1.00 18.79 ? ? ? ? ? ? 53 ARG A O 1 +ATOM 841 C CB . ARG A 1 53 ? 26.365 20.989 -4.925 1.00 21.70 ? ? ? ? ? ? 53 ARG A CB 1 +ATOM 842 C CG . ARG A 1 53 ? 27.106 22.225 -5.375 1.00 24.59 ? ? ? ? ? ? 53 ARG A CG 1 +ATOM 843 C CD . ARG A 1 53 ? 26.494 23.431 -4.716 1.00 26.49 ? ? ? ? ? ? 53 ARG A CD 1 +ATOM 844 N NE . ARG A 1 53 ? 26.503 23.143 -3.308 1.00 30.03 ? ? ? ? ? ? 53 ARG A NE 1 +ATOM 845 C CZ . ARG A 1 53 ? 25.536 23.635 -2.543 1.00 30.47 ? ? ? ? ? ? 53 ARG A CZ 1 +ATOM 846 N NH1 . ARG A 1 53 ? 24.554 24.368 -3.034 1.00 31.82 ? ? ? ? ? ? 53 ARG A NH1 1 +ATOM 847 N NH2 . ARG A 1 53 ? 25.533 23.348 -1.271 1.00 30.70 ? ? ? ? ? ? 53 ARG A NH2 1 +ATOM 848 D D . ARG A 1 53 ? 24.877 19.095 -4.635 1.00 17.26 ? ? ? ? ? ? 53 ARG A D 1 +ATOM 849 H HA . ARG A 1 53 ? 25.631 20.419 -6.896 1.00 19.36 ? ? ? ? ? ? 53 ARG A HA 1 +ATOM 850 H HB2 . ARG A 1 53 ? 25.336 21.264 -4.675 1.00 21.99 ? ? ? ? ? ? 53 ARG A HB2 1 +ATOM 851 H HB3 . ARG A 1 53 ? 26.827 20.450 -4.106 1.00 22.43 ? ? ? ? ? ? 53 ARG A HB3 1 +ATOM 852 H HG2 . ARG A 1 53 ? 28.119 22.368 -5.525 1.00 24.05 ? ? ? ? ? ? 53 ARG A HG2 1 +ATOM 853 H HG3 . ARG A 1 53 ? 26.672 22.362 -6.390 1.00 23.86 ? ? ? ? ? ? 53 ARG A HG3 1 +ATOM 854 H HD2 . ARG A 1 53 ? 27.053 24.242 -5.072 1.00 27.41 ? ? ? ? ? ? 53 ARG A HD2 1 +ATOM 855 H HD3 . ARG A 1 53 ? 25.499 23.574 -5.080 1.00 27.53 ? ? ? ? ? ? 53 ARG A HD3 1 +ATOM 856 D DE . ARG A 1 53 ? 27.225 22.565 -2.844 1.00 30.30 ? ? ? ? ? ? 53 ARG A DE 1 +ATOM 857 D DH11 . ARG A 1 53 ? 23.854 24.661 -2.321 1.00 30.67 ? ? ? ? ? ? 53 ARG A DH11 1 +ATOM 858 D DH12 . ARG A 1 53 ? 24.517 24.609 -4.036 1.00 30.96 ? ? ? ? ? ? 53 ARG A DH12 1 +ATOM 859 D DH21 . ARG A 1 53 ? 26.264 22.781 -0.865 1.00 31.15 ? ? ? ? ? ? 53 ARG A DH21 1 +ATOM 860 D DH22 . ARG A 1 53 ? 24.762 23.749 -0.724 1.00 31.05 ? ? ? ? ? ? 53 ARG A DH22 1 +ATOM 861 N N . THR A 1 54 ? 28.014 18.446 -5.647 1.00 16.27 ? ? ? ? ? ? 54 THR A N 1 +ATOM 862 C CA . THR A 1 54 ? 29.317 17.889 -5.933 1.00 15.50 ? ? ? ? ? ? 54 THR A CA 1 +ATOM 863 C C . THR A 1 54 ? 29.360 16.811 -7.019 1.00 14.44 ? ? ? ? ? ? 54 THR A C 1 +ATOM 864 O O . THR A 1 54 ? 30.323 16.753 -7.836 1.00 14.74 ? ? ? ? ? ? 54 THR A O 1 +ATOM 865 C CB . THR A 1 54 ? 29.884 17.308 -4.599 1.00 16.69 ? ? ? ? ? ? 54 THR A CB 1 +ATOM 866 O OG1 . THR A 1 54 ? 29.915 18.356 -3.628 1.00 17.09 ? ? ? ? ? ? 54 THR A OG1 1 +ATOM 867 C CG2 . THR A 1 54 ? 31.252 16.617 -4.794 1.00 16.12 ? ? ? ? ? ? 54 THR A CG2 1 +ATOM 868 D D . THR A 1 54 ? 27.440 18.111 -4.892 1.00 18.36 ? ? ? ? ? ? 54 THR A D 1 +ATOM 869 H HA . THR A 1 54 ? 30.069 18.613 -6.258 1.00 15.14 ? ? ? ? ? ? 54 THR A HA 1 +ATOM 870 H HB . THR A 1 54 ? 29.173 16.550 -4.194 1.00 16.74 ? ? ? ? ? ? 54 THR A HB 1 +ATOM 871 D DG1 . THR A 1 54 ? 29.012 18.597 -3.318 1.00 16.70 ? ? ? ? ? ? 54 THR A DG1 1 +ATOM 872 H HG21 . THR A 1 54 ? 31.801 17.152 -5.610 1.00 17.37 ? ? ? ? ? ? 54 THR A HG21 1 +ATOM 873 H HG22 . THR A 1 54 ? 31.759 16.514 -3.853 1.00 17.09 ? ? ? ? ? ? 54 THR A HG22 1 +ATOM 874 H HG23 . THR A 1 54 ? 31.026 15.693 -5.309 1.00 17.52 ? ? ? ? ? ? 54 THR A HG23 1 +ATOM 875 N N . CYS A 1 55 ? 28.364 15.919 -6.980 1.00 12.64 ? ? ? ? ? ? 55 CYS A N 1 +ATOM 876 C CA . CYS A 1 55 ? 28.337 14.779 -7.839 1.00 14.57 ? ? ? ? ? ? 55 CYS A CA 1 +ATOM 877 C C . CYS A 1 55 ? 27.258 14.663 -8.899 1.00 16.68 ? ? ? ? ? ? 55 CYS A C 1 +ATOM 878 O O . CYS A 1 55 ? 27.484 13.831 -9.733 1.00 17.00 ? ? ? ? ? ? 55 CYS A O 1 +ATOM 879 C CB . CYS A 1 55 ? 28.265 13.520 -6.968 1.00 13.88 ? ? ? ? ? ? 55 CYS A CB 1 +ATOM 880 S SG . CYS A 1 55 ? 29.664 13.161 -5.893 1.00 13.03 ? ? ? ? ? ? 55 CYS A SG 1 +ATOM 881 D D . CYS A 1 55 ? 27.614 15.974 -6.323 1.00 14.99 ? ? ? ? ? ? 55 CYS A D 1 +ATOM 882 H HA . CYS A 1 55 ? 29.253 14.775 -8.417 1.00 14.34 ? ? ? ? ? ? 55 CYS A HA 1 +ATOM 883 H HB2 . CYS A 1 55 ? 27.388 13.519 -6.349 1.00 13.38 ? ? ? ? ? ? 55 CYS A HB2 1 +ATOM 884 H HB3 . CYS A 1 55 ? 28.059 12.720 -7.695 1.00 13.88 ? ? ? ? ? ? 55 CYS A HB3 1 +ATOM 885 N N . GLY A 1 56 ? 26.248 15.435 -8.766 1.00 22.23 ? ? ? ? ? ? 56 GLY A N 1 +ATOM 886 C CA . GLY A 1 56 ? 25.221 15.180 -9.791 1.00 26.06 ? ? ? ? ? ? 56 GLY A CA 1 +ATOM 887 C C . GLY A 1 56 ? 25.286 15.905 -11.139 1.00 29.57 ? ? ? ? ? ? 56 GLY A C 1 +ATOM 888 O O . GLY A 1 56 ? 26.220 16.540 -11.584 1.00 31.26 ? ? ? ? ? ? 56 GLY A O 1 +ATOM 889 D D . GLY A 1 56 ? 26.124 16.072 -8.024 1.00 18.76 ? ? ? ? ? ? 56 GLY A D 1 +ATOM 890 H HA2 . GLY A 1 56 ? 25.526 14.160 -10.093 1.00 25.90 ? ? ? ? ? ? 56 GLY A HA2 1 +ATOM 891 H HA3 . GLY A 1 56 ? 24.206 15.027 -9.457 1.00 26.16 ? ? ? ? ? ? 56 GLY A HA3 1 +ATOM 892 N N . GLY A 1 57 ? 24.141 15.735 -11.766 1.00 36.75 ? ? ? ? ? ? 57 GLY A N 1 +ATOM 893 C CA . GLY A 1 57 ? 23.532 16.179 -13.038 1.00 40.04 ? ? ? ? ? ? 57 GLY A CA 1 +ATOM 894 C C . GLY A 1 57 ? 21.982 15.948 -12.990 1.00 43.19 ? ? ? ? ? ? 57 GLY A C 1 +ATOM 895 O O . GLY A 1 57 ? 21.139 16.112 -12.036 1.00 44.36 ? ? ? ? ? ? 57 GLY A O 1 +ATOM 896 D D . GLY A 1 57 ? 23.416 15.164 -11.269 1.00 32.31 ? ? ? ? ? ? 57 GLY A D 1 +ATOM 897 H HA2 . GLY A 1 57 ? 23.651 17.180 -13.336 1.00 40.07 ? ? ? ? ? ? 57 GLY A HA2 1 +ATOM 898 H HA3 . GLY A 1 57 ? 23.890 15.539 -13.849 1.00 40.01 ? ? ? ? ? ? 57 GLY A HA3 1 +ATOM 899 N N . ALA A 1 58 ? 21.533 15.450 -14.175 1.00 46.32 ? ? ? ? ? ? 58 ALA A N 1 +ATOM 900 C CA . ALA A 1 58 ? 20.058 15.148 -14.143 1.00 46.11 ? ? ? ? ? ? 58 ALA A CA 1 +ATOM 901 C C . ALA A 1 58 ? 20.005 13.727 -14.727 1.00 47.14 ? ? ? ? ? ? 58 ALA A C 1 +ATOM 902 O O . ALA A 1 58 ? 20.352 13.531 -15.922 1.00 47.19 ? ? ? ? ? ? 58 ALA A O 1 +ATOM 903 C CB . ALA A 1 58 ? 19.337 16.385 -14.585 1.00 45.68 ? ? ? ? ? ? 58 ALA A CB 1 +ATOM 904 O OXT . ALA A 1 58 ? 19.665 12.821 -13.923 1.00 48.98 ? ? ? ? ? ? 58 ALA A OXT 1 +ATOM 905 D D . ALA A 1 58 ? 22.084 15.237 -14.992 1.00 44.06 ? ? ? ? ? ? 58 ALA A D 1 +ATOM 906 H HA . ALA A 1 58 ? 19.960 14.987 -13.050 1.00 46.35 ? ? ? ? ? ? 58 ALA A HA 1 +ATOM 907 H HB1 . ALA A 1 58 ? 19.978 17.245 -14.640 1.00 46.47 ? ? ? ? ? ? 58 ALA A HB1 1 +ATOM 908 H HB2 . ALA A 1 58 ? 18.939 16.200 -15.586 1.00 46.26 ? ? ? ? ? ? 58 ALA A HB2 1 +ATOM 909 H HB3 . ALA A 1 58 ? 18.454 16.576 -13.973 1.00 46.28 ? ? ? ? ? ? 58 ALA A HB3 1 +HETATM 910 P P . PO4 B 2 . ? 32.672 12.772 10.325 0.65 25.52 ? ? ? ? ? ? 70 PO4 A P 1 +HETATM 911 O O1 . PO4 B 2 . ? 33.530 14.005 10.556 0.65 26.69 ? ? ? ? ? ? 70 PO4 A O1 1 +HETATM 912 O O2 . PO4 B 2 . ? 31.499 12.810 11.272 0.65 25.31 ? ? ? ? ? ? 70 PO4 A O2 1 +HETATM 913 O O3 . PO4 B 2 . ? 32.136 12.729 8.909 0.65 24.51 ? ? ? ? ? ? 70 PO4 A O3 1 +HETATM 914 O O4 . PO4 B 2 . ? 33.561 11.570 10.555 0.65 23.64 ? ? ? ? ? ? 70 PO4 A O4 1 +HETATM 915 X UNK . UNX C 3 . ? 23.599 13.195 -7.043 1.00 45.42 ? ? ? ? ? ? 324 UNX A UNK 1 +HETATM 916 O O . DOD D 4 . ? 23.194 15.839 8.222 0.40 22.37 ? ? ? ? ? ? 80 DOD A O 1 +HETATM 917 D D1 . DOD D 4 . ? 23.286 16.842 8.165 0.40 22.61 ? ? ? ? ? ? 80 DOD A D1 1 +HETATM 918 D D2 . DOD D 4 . ? 24.153 15.561 8.326 0.40 22.60 ? ? ? ? ? ? 80 DOD A D2 1 +HETATM 919 O O . DOD D 4 . ? 22.510 21.082 -4.729 1.00 36.16 ? ? ? ? ? ? 101 DOD A O 1 +HETATM 920 D D1 . DOD D 4 . ? 21.831 21.235 -5.370 1.00 35.79 ? ? ? ? ? ? 101 DOD A D1 1 +HETATM 921 D D2 . DOD D 4 . ? 23.104 20.367 -4.949 1.00 35.47 ? ? ? ? ? ? 101 DOD A D2 1 +HETATM 922 O O . DOD D 4 . ? 32.400 2.989 17.428 0.80 18.44 ? ? ? ? ? ? 102 DOD A O 1 +HETATM 923 D D1 . DOD D 4 . ? 33.257 2.902 16.959 0.80 19.80 ? ? ? ? ? ? 102 DOD A D1 1 +HETATM 924 D D2 . DOD D 4 . ? 32.345 2.270 18.071 0.80 19.39 ? ? ? ? ? ? 102 DOD A D2 1 +HETATM 925 O O . DOD D 4 . ? 32.325 18.662 -7.849 1.00 32.19 ? ? ? ? ? ? 105 DOD A O 1 +HETATM 926 D D1 . DOD D 4 . ? 31.835 17.834 -8.008 1.00 30.47 ? ? ? ? ? ? 105 DOD A D1 1 +HETATM 927 D D2 . DOD D 4 . ? 31.833 19.268 -8.402 1.00 30.09 ? ? ? ? ? ? 105 DOD A D2 1 +HETATM 928 O O . DOD D 4 . ? 37.328 8.721 -0.765 0.85 24.80 ? ? ? ? ? ? 110 DOD A O 1 +HETATM 929 D D1 . DOD D 4 . ? 37.884 7.962 -0.994 0.85 28.72 ? ? ? ? ? ? 110 DOD A D1 1 +HETATM 930 D D2 . DOD D 4 . ? 36.474 8.348 -1.051 0.85 28.38 ? ? ? ? ? ? 110 DOD A D2 1 +HETATM 931 O O . DOD D 4 . ? 32.894 6.077 -0.473 1.00 17.11 ? ? ? ? ? ? 111 DOD A O 1 +HETATM 932 D D1 . DOD D 4 . ? 33.120 6.673 -1.189 1.00 17.18 ? ? ? ? ? ? 111 DOD A D1 1 +HETATM 933 D D2 . DOD D 4 . ? 32.082 5.642 -0.714 1.00 18.37 ? ? ? ? ? ? 111 DOD A D2 1 +HETATM 934 O O . DOD D 4 . ? 31.242 6.845 1.776 1.00 12.53 ? ? ? ? ? ? 112 DOD A O 1 +HETATM 935 D D1 . DOD D 4 . ? 31.797 6.338 1.211 1.00 12.31 ? ? ? ? ? ? 112 DOD A D1 1 +HETATM 936 D D2 . DOD D 4 . ? 30.886 7.631 1.374 1.00 11.82 ? ? ? ? ? ? 112 DOD A D2 1 +HETATM 937 O O . DOD D 4 . ? 32.081 7.266 4.248 1.00 10.62 ? ? ? ? ? ? 113 DOD A O 1 +HETATM 938 D D1 . DOD D 4 . ? 31.885 7.136 3.273 1.00 10.81 ? ? ? ? ? ? 113 DOD A D1 1 +HETATM 939 D D2 . DOD D 4 . ? 31.780 6.400 4.490 1.00 10.32 ? ? ? ? ? ? 113 DOD A D2 1 +HETATM 940 O O . DOD D 4 . ? 21.627 2.820 1.964 0.45 18.18 ? ? ? ? ? ? 116 DOD A O 1 +HETATM 941 D D1 . DOD D 4 . ? 22.311 2.168 1.795 0.45 15.16 ? ? ? ? ? ? 116 DOD A D1 1 +HETATM 942 D D2 . DOD D 4 . ? 21.898 3.682 1.661 0.45 13.72 ? ? ? ? ? ? 116 DOD A D2 1 +HETATM 943 O O . DOD D 4 . ? 23.450 1.914 4.826 0.85 21.21 ? ? ? ? ? ? 117 DOD A O 1 +HETATM 944 D D1 . DOD D 4 . ? 24.325 1.628 5.014 0.85 18.34 ? ? ? ? ? ? 117 DOD A D1 1 +HETATM 945 D D2 . DOD D 4 . ? 22.978 2.382 5.498 0.85 16.27 ? ? ? ? ? ? 117 DOD A D2 1 +HETATM 946 O O . DOD D 4 . ? 24.933 8.699 -12.566 1.00 26.51 ? ? ? ? ? ? 119 DOD A O 1 +HETATM 947 D D1 . DOD D 4 . ? 25.519 9.416 -12.334 1.00 24.40 ? ? ? ? ? ? 119 DOD A D1 1 +HETATM 948 D D2 . DOD D 4 . ? 25.041 7.808 -12.205 1.00 23.04 ? ? ? ? ? ? 119 DOD A D2 1 +HETATM 949 O O . DOD D 4 . ? 27.178 1.079 11.930 1.00 44.15 ? ? ? ? ? ? 121 DOD A O 1 +HETATM 950 D D1 . DOD D 4 . ? 27.529 1.514 12.731 1.00 41.94 ? ? ? ? ? ? 121 DOD A D1 1 +HETATM 951 D D2 . DOD D 4 . ? 27.890 1.374 11.346 1.00 42.42 ? ? ? ? ? ? 121 DOD A D2 1 +HETATM 952 O O . DOD D 4 . ? 32.824 4.006 10.705 1.00 11.08 ? ? ? ? ? ? 122 DOD A O 1 +HETATM 953 D D1 . DOD D 4 . ? 32.037 4.312 10.212 1.00 14.93 ? ? ? ? ? ? 122 DOD A D1 1 +HETATM 954 D D2 . DOD D 4 . ? 33.527 4.614 10.375 1.00 12.63 ? ? ? ? ? ? 122 DOD A D2 1 +HETATM 955 O O . DOD D 4 . ? 23.228 10.145 14.693 1.00 37.43 ? ? ? ? ? ? 125 DOD A O 1 +HETATM 956 D D1 . DOD D 4 . ? 23.474 11.090 14.612 1.00 38.73 ? ? ? ? ? ? 125 DOD A D1 1 +HETATM 957 D D2 . DOD D 4 . ? 23.557 9.618 15.413 1.00 38.14 ? ? ? ? ? ? 125 DOD A D2 1 +HETATM 958 O O . DOD D 4 . ? 21.709 13.163 -11.285 1.00 45.53 ? ? ? ? ? ? 126 DOD A O 1 +HETATM 959 D D1 . DOD D 4 . ? 21.371 12.655 -10.542 1.00 40.21 ? ? ? ? ? ? 126 DOD A D1 1 +HETATM 960 D D2 . DOD D 4 . ? 22.643 12.914 -11.319 1.00 40.01 ? ? ? ? ? ? 126 DOD A D2 1 +HETATM 961 O O . DOD D 4 . ? 25.304 13.841 10.064 1.00 31.39 ? ? ? ? ? ? 127 DOD A O 1 +HETATM 962 D D1 . DOD D 4 . ? 24.713 13.795 9.294 1.00 29.74 ? ? ? ? ? ? 127 DOD A D1 1 +HETATM 963 D D2 . DOD D 4 . ? 24.901 13.162 10.650 1.00 30.13 ? ? ? ? ? ? 127 DOD A D2 1 +HETATM 964 O O . DOD D 4 . ? 21.978 10.502 12.070 1.00 22.99 ? ? ? ? ? ? 129 DOD A O 1 +HETATM 965 D D1 . DOD D 4 . ? 21.026 10.401 12.238 1.00 21.72 ? ? ? ? ? ? 129 DOD A D1 1 +HETATM 966 D D2 . DOD D 4 . ? 22.220 11.424 12.257 1.00 22.25 ? ? ? ? ? ? 129 DOD A D2 1 +HETATM 967 O O . DOD D 4 . ? 37.476 9.724 11.502 0.75 22.01 ? ? ? ? ? ? 133 DOD A O 1 +HETATM 968 D D1 . DOD D 4 . ? 37.584 9.982 12.425 0.75 19.51 ? ? ? ? ? ? 133 DOD A D1 1 +HETATM 969 D D2 . DOD D 4 . ? 36.539 9.976 11.345 0.75 19.51 ? ? ? ? ? ? 133 DOD A D2 1 +HETATM 970 O O . DOD D 4 . ? 34.490 11.060 -13.079 0.70 44.32 ? ? ? ? ? ? 134 DOD A O 1 +HETATM 971 D D1 . DOD D 4 . ? 34.746 11.987 -12.978 0.70 42.77 ? ? ? ? ? ? 134 DOD A D1 1 +HETATM 972 D D2 . DOD D 4 . ? 33.653 10.980 -12.612 0.70 42.52 ? ? ? ? ? ? 134 DOD A D2 1 +HETATM 973 O O . DOD D 4 . ? 28.177 17.517 3.360 1.00 25.45 ? ? ? ? ? ? 138 DOD A O 1 +HETATM 974 D D1 . DOD D 4 . ? 27.742 18.283 3.058 1.00 23.32 ? ? ? ? ? ? 138 DOD A D1 1 +HETATM 975 D D2 . DOD D 4 . ? 29.101 17.401 3.251 1.00 23.72 ? ? ? ? ? ? 138 DOD A D2 1 +HETATM 976 O O . DOD D 4 . ? 30.541 15.267 12.774 1.00 36.43 ? ? ? ? ? ? 140 DOD A O 1 +HETATM 977 D D1 . DOD D 4 . ? 29.677 15.607 12.991 1.00 36.77 ? ? ? ? ? ? 140 DOD A D1 1 +HETATM 978 D D2 . DOD D 4 . ? 31.088 15.976 12.426 1.00 36.78 ? ? ? ? ? ? 140 DOD A D2 1 +HETATM 979 O O . DOD D 4 . ? 28.284 5.454 -6.397 1.00 27.22 ? ? ? ? ? ? 143 DOD A O 1 +HETATM 980 D D1 . DOD D 4 . ? 28.234 4.659 -5.833 1.00 32.37 ? ? ? ? ? ? 143 DOD A D1 1 +HETATM 981 D D2 . DOD D 4 . ? 27.991 6.122 -5.773 1.00 31.67 ? ? ? ? ? ? 143 DOD A D2 1 +HETATM 982 O O . DOD D 4 . ? 17.474 21.217 4.158 1.00 42.30 ? ? ? ? ? ? 144 DOD A O 1 +HETATM 983 D D1 . DOD D 4 . ? 18.268 20.904 3.726 1.00 40.47 ? ? ? ? ? ? 144 DOD A D1 1 +HETATM 984 D D2 . DOD D 4 . ? 16.993 21.816 3.609 1.00 40.56 ? ? ? ? ? ? 144 DOD A D2 1 +HETATM 985 O O . DOD D 4 . ? 38.592 14.977 -3.873 1.00 29.91 ? ? ? ? ? ? 145 DOD A O 1 +HETATM 986 D D1 . DOD D 4 . ? 37.993 15.743 -3.880 1.00 31.95 ? ? ? ? ? ? 145 DOD A D1 1 +HETATM 987 D D2 . DOD D 4 . ? 38.520 14.611 -4.764 1.00 33.00 ? ? ? ? ? ? 145 DOD A D2 1 +HETATM 988 O O . DOD D 4 . ? 39.369 6.894 -8.744 1.00 41.67 ? ? ? ? ? ? 146 DOD A O 1 +HETATM 989 D D1 . DOD D 4 . ? 39.454 6.652 -9.672 1.00 36.52 ? ? ? ? ? ? 146 DOD A D1 1 +HETATM 990 D D2 . DOD D 4 . ? 40.233 6.697 -8.383 1.00 37.22 ? ? ? ? ? ? 146 DOD A D2 1 +HETATM 991 O O . DOD D 4 . ? 30.562 -0.831 11.569 0.85 29.85 ? ? ? ? ? ? 156 DOD A O 1 +HETATM 992 D D1 . DOD D 4 . ? 30.253 0.047 11.849 0.85 31.06 ? ? ? ? ? ? 156 DOD A D1 1 +HETATM 993 D D2 . DOD D 4 . ? 30.819 -0.652 10.650 0.85 30.89 ? ? ? ? ? ? 156 DOD A D2 1 +HETATM 994 O O . DOD D 4 . ? 35.840 10.917 9.802 1.00 23.72 ? ? ? ? ? ? 157 DOD A O 1 +HETATM 995 D D1 . DOD D 4 . ? 35.118 11.562 9.768 1.00 25.45 ? ? ? ? ? ? 157 DOD A D1 1 +HETATM 996 D D2 . DOD D 4 . ? 36.435 11.166 9.095 1.00 25.05 ? ? ? ? ? ? 157 DOD A D2 1 +HETATM 997 O O . DOD D 4 . ? 32.417 -0.400 5.440 0.50 21.01 ? ? ? ? ? ? 158 DOD A O 1 +HETATM 998 D D1 . DOD D 4 . ? 33.309 -0.402 5.914 0.50 20.94 ? ? ? ? ? ? 158 DOD A D1 1 +HETATM 999 D D2 . DOD D 4 . ? 31.836 -0.783 6.158 0.50 20.72 ? ? ? ? ? ? 158 DOD A D2 1 +HETATM 1000 O O . DOD D 4 . ? 30.427 -0.255 3.808 0.50 26.42 ? ? ? ? ? ? 159 DOD A O 1 +HETATM 1001 D D1 . DOD D 4 . ? 30.982 -0.258 2.963 0.50 26.94 ? ? ? ? ? ? 159 DOD A D1 1 +HETATM 1002 D D2 . DOD D 4 . ? 31.146 -0.594 4.435 0.50 26.51 ? ? ? ? ? ? 159 DOD A D2 1 +HETATM 1003 O O . DOD D 4 . ? 36.062 5.979 -8.634 1.00 41.31 ? ? ? ? ? ? 160 DOD A O 1 +HETATM 1004 D D1 . DOD D 4 . ? 35.305 6.506 -8.327 1.00 40.68 ? ? ? ? ? ? 160 DOD A D1 1 +HETATM 1005 D D2 . DOD D 4 . ? 36.596 5.892 -7.843 1.00 40.44 ? ? ? ? ? ? 160 DOD A D2 1 +HETATM 1006 O O . DOD D 4 . ? 19.702 17.251 3.159 1.00 19.29 ? ? ? ? ? ? 200 DOD A O 1 +HETATM 1007 D D1 . DOD D 4 . ? 18.842 16.821 3.395 1.00 20.94 ? ? ? ? ? ? 200 DOD A D1 1 +HETATM 1008 D D2 . DOD D 4 . ? 20.251 16.690 3.724 1.00 21.48 ? ? ? ? ? ? 200 DOD A D2 1 +HETATM 1009 O O . DOD D 4 . ? 38.290 5.419 5.139 0.45 14.23 ? ? ? ? ? ? 201 DOD A O 1 +HETATM 1010 D D1 . DOD D 4 . ? 38.695 6.270 5.301 0.45 11.92 ? ? ? ? ? ? 201 DOD A D1 1 +HETATM 1011 D D2 . DOD D 4 . ? 38.934 4.728 5.353 0.45 12.39 ? ? ? ? ? ? 201 DOD A D2 1 +HETATM 1012 O O . DOD D 4 . ? 20.841 18.058 5.892 1.00 42.73 ? ? ? ? ? ? 202 DOD A O 1 +HETATM 1013 D D1 . DOD D 4 . ? 20.670 18.727 5.224 1.00 41.57 ? ? ? ? ? ? 202 DOD A D1 1 +HETATM 1014 D D2 . DOD D 4 . ? 20.910 17.173 5.525 1.00 41.34 ? ? ? ? ? ? 202 DOD A D2 1 +HETATM 1015 O O . DOD D 4 . ? 35.858 -1.262 7.228 1.00 26.79 ? ? ? ? ? ? 203 DOD A O 1 +HETATM 1016 D D1 . DOD D 4 . ? 36.279 -0.389 7.191 1.00 24.31 ? ? ? ? ? ? 203 DOD A D1 1 +HETATM 1017 D D2 . DOD D 4 . ? 36.182 -1.468 8.110 1.00 25.43 ? ? ? ? ? ? 203 DOD A D2 1 +HETATM 1018 O O . DOD D 4 . ? 39.380 8.361 4.115 0.70 28.37 ? ? ? ? ? ? 204 DOD A O 1 +HETATM 1019 D D1 . DOD D 4 . ? 39.408 7.760 3.358 0.70 29.87 ? ? ? ? ? ? 204 DOD A D1 1 +HETATM 1020 D D2 . DOD D 4 . ? 38.462 8.655 4.217 0.70 30.08 ? ? ? ? ? ? 204 DOD A D2 1 +HETATM 1021 O O . DOD D 4 . ? 19.638 4.554 4.804 1.00 41.42 ? ? ? ? ? ? 205 DOD A O 1 +HETATM 1022 D D1 . DOD D 4 . ? 18.798 4.746 4.362 1.00 41.56 ? ? ? ? ? ? 205 DOD A D1 1 +HETATM 1023 D D2 . DOD D 4 . ? 19.565 3.636 5.102 1.00 41.35 ? ? ? ? ? ? 205 DOD A D2 1 +HETATM 1024 O O . DOD D 4 . ? 27.016 14.177 11.548 0.55 23.66 ? ? ? ? ? ? 209 DOD A O 1 +HETATM 1025 D D1 . DOD D 4 . ? 26.247 13.668 11.322 0.55 23.22 ? ? ? ? ? ? 209 DOD A D1 1 +HETATM 1026 D D2 . DOD D 4 . ? 27.150 14.829 10.861 0.55 23.19 ? ? ? ? ? ? 209 DOD A D2 1 +HETATM 1027 O O . DOD D 4 . ? 32.524 1.944 -8.668 0.55 28.00 ? ? ? ? ? ? 210 DOD A O 1 +HETATM 1028 D D1 . DOD D 4 . ? 32.097 1.168 -8.326 0.55 24.83 ? ? ? ? ? ? 210 DOD A D1 1 +HETATM 1029 D D2 . DOD D 4 . ? 33.318 2.192 -8.183 0.55 24.43 ? ? ? ? ? ? 210 DOD A D2 1 +HETATM 1030 O O . DOD D 4 . ? 30.420 20.407 -9.327 1.00 50.37 ? ? ? ? ? ? 211 DOD A O 1 +HETATM 1031 D D1 . DOD D 4 . ? 30.380 19.438 -9.416 1.00 50.49 ? ? ? ? ? ? 211 DOD A D1 1 +HETATM 1032 D D2 . DOD D 4 . ? 29.504 20.587 -9.585 1.00 50.62 ? ? ? ? ? ? 211 DOD A D2 1 +HETATM 1033 O O . DOD D 4 . ? 38.417 11.372 -7.271 1.00 37.18 ? ? ? ? ? ? 212 DOD A O 1 +HETATM 1034 D D1 . DOD D 4 . ? 38.648 12.325 -7.203 1.00 35.24 ? ? ? ? ? ? 212 DOD A D1 1 +HETATM 1035 D D2 . DOD D 4 . ? 39.030 10.978 -6.635 1.00 35.81 ? ? ? ? ? ? 212 DOD A D2 1 +HETATM 1036 O O . DOD D 4 . ? 15.928 7.068 -4.160 0.80 33.49 ? ? ? ? ? ? 214 DOD A O 1 +HETATM 1037 D D1 . DOD D 4 . ? 15.833 6.849 -5.089 0.80 30.73 ? ? ? ? ? ? 214 DOD A D1 1 +HETATM 1038 D D2 . DOD D 4 . ? 15.838 7.998 -3.965 0.80 30.42 ? ? ? ? ? ? 214 DOD A D2 1 +HETATM 1039 O O . DOD D 4 . ? 20.369 6.458 13.462 0.75 29.01 ? ? ? ? ? ? 216 DOD A O 1 +HETATM 1040 D D1 . DOD D 4 . ? 20.426 6.571 14.416 0.75 29.73 ? ? ? ? ? ? 216 DOD A D1 1 +HETATM 1041 D D2 . DOD D 4 . ? 21.310 6.715 13.308 0.75 30.07 ? ? ? ? ? ? 216 DOD A D2 1 +HETATM 1042 O O . DOD D 4 . ? 20.372 9.135 14.450 1.00 45.82 ? ? ? ? ? ? 217 DOD A O 1 +HETATM 1043 D D1 . DOD D 4 . ? 20.014 9.262 13.565 1.00 47.54 ? ? ? ? ? ? 217 DOD A D1 1 +HETATM 1044 D D2 . DOD D 4 . ? 20.713 8.233 14.501 1.00 46.99 ? ? ? ? ? ? 217 DOD A D2 1 +HETATM 1045 O O . DOD D 4 . ? 34.848 -2.506 13.144 0.60 23.45 ? ? ? ? ? ? 218 DOD A O 1 +HETATM 1046 D D1 . DOD D 4 . ? 35.761 -2.257 13.315 0.60 24.59 ? ? ? ? ? ? 218 DOD A D1 1 +HETATM 1047 D D2 . DOD D 4 . ? 34.364 -1.952 13.777 0.60 23.86 ? ? ? ? ? ? 218 DOD A D2 1 +HETATM 1048 O O . DOD D 4 . ? 18.689 3.099 -6.988 0.65 32.86 ? ? ? ? ? ? 219 DOD A O 1 +HETATM 1049 D D1 . DOD D 4 . ? 18.183 2.627 -6.333 0.65 31.27 ? ? ? ? ? ? 219 DOD A D1 1 +HETATM 1050 D D2 . DOD D 4 . ? 19.292 2.483 -7.421 0.65 31.44 ? ? ? ? ? ? 219 DOD A D2 1 +HETATM 1051 O O . DOD D 4 . ? 34.306 13.635 6.574 0.70 44.72 ? ? ? ? ? ? 220 DOD A O 1 +HETATM 1052 D D1 . DOD D 4 . ? 34.435 13.156 7.403 0.70 43.71 ? ? ? ? ? ? 220 DOD A D1 1 +HETATM 1053 D D2 . DOD D 4 . ? 33.907 14.473 6.837 0.70 43.25 ? ? ? ? ? ? 220 DOD A D2 1 +HETATM 1054 O O . DOD D 4 . ? 39.704 6.653 -0.920 0.70 27.12 ? ? ? ? ? ? 223 DOD A O 1 +HETATM 1055 D D1 . DOD D 4 . ? 39.839 5.695 -0.886 0.70 27.44 ? ? ? ? ? ? 223 DOD A D1 1 +HETATM 1056 D D2 . DOD D 4 . ? 40.073 6.944 -0.069 0.70 26.30 ? ? ? ? ? ? 223 DOD A D2 1 +HETATM 1057 O O . DOD D 4 . ? 35.835 1.799 -4.168 0.70 22.62 ? ? ? ? ? ? 225 DOD A O 1 +HETATM 1058 D D1 . DOD D 4 . ? 35.195 1.203 -4.651 0.70 21.80 ? ? ? ? ? ? 225 DOD A D1 1 +HETATM 1059 D D2 . DOD D 4 . ? 35.838 1.670 -3.184 0.70 22.59 ? ? ? ? ? ? 225 DOD A D2 1 +HETATM 1060 O O . DOD D 4 . ? 23.473 14.023 7.697 0.50 17.94 ? ? ? ? ? ? 302 DOD A O 1 +HETATM 1061 D D1 . DOD D 4 . ? 23.104 13.994 6.796 0.50 18.22 ? ? ? ? ? ? 302 DOD A D1 1 +HETATM 1062 D D2 . DOD D 4 . ? 23.692 13.105 7.863 0.50 18.44 ? ? ? ? ? ? 302 DOD A D2 1 +HETATM 1063 O O . DOD D 4 . ? 17.425 18.515 0.940 0.60 20.11 ? ? ? ? ? ? 304 DOD A O 1 +HETATM 1064 D D1 . DOD D 4 . ? 16.690 18.065 1.361 0.60 20.79 ? ? ? ? ? ? 304 DOD A D1 1 +HETATM 1065 D D2 . DOD D 4 . ? 18.107 18.630 1.602 0.60 21.21 ? ? ? ? ? ? 304 DOD A D2 1 +HETATM 1066 O O . DOD D 4 . ? 30.817 21.189 -4.297 0.75 33.44 ? ? ? ? ? ? 310 DOD A O 1 +HETATM 1067 D D1 . DOD D 4 . ? 31.670 21.225 -4.770 0.75 33.45 ? ? ? ? ? ? 310 DOD A D1 1 +HETATM 1068 D D2 . DOD D 4 . ? 30.745 20.286 -3.971 0.75 33.90 ? ? ? ? ? ? 310 DOD A D2 1 +HETATM 1069 O O . DOD D 4 . ? 29.101 21.433 -2.694 0.75 39.78 ? ? ? ? ? ? 311 DOD A O 1 +HETATM 1070 D D1 . DOD D 4 . ? 28.810 20.773 -3.335 0.75 40.82 ? ? ? ? ? ? 311 DOD A D1 1 +HETATM 1071 D D2 . DOD D 4 . ? 29.404 20.908 -1.940 0.75 41.00 ? ? ? ? ? ? 311 DOD A D2 1 +HETATM 1072 O O . DOD D 4 . ? 34.385 2.967 -0.675 0.75 49.17 ? ? ? ? ? ? 312 DOD A O 1 +HETATM 1073 D D1 . DOD D 4 . ? 33.896 2.264 -0.231 0.75 49.99 ? ? ? ? ? ? 312 DOD A D1 1 +HETATM 1074 D D2 . DOD D 4 . ? 35.282 2.635 -0.820 0.75 50.11 ? ? ? ? ? ? 312 DOD A D2 1 +HETATM 1075 O O . DOD D 4 . ? 22.760 12.894 9.757 0.75 34.76 ? ? ? ? ? ? 313 DOD A O 1 +HETATM 1076 D D1 . DOD D 4 . ? 23.725 12.886 9.820 0.75 32.32 ? ? ? ? ? ? 313 DOD A D1 1 +HETATM 1077 D D2 . DOD D 4 . ? 22.695 12.328 8.975 0.75 32.33 ? ? ? ? ? ? 313 DOD A D2 1 +HETATM 1078 O O . DOD D 4 . ? 29.184 16.951 -10.815 1.00 50.56 ? ? ? ? ? ? 314 DOD A O 1 +HETATM 1079 D D1 . DOD D 4 . ? 28.486 16.392 -11.157 1.00 49.79 ? ? ? ? ? ? 314 DOD A D1 1 +HETATM 1080 D D2 . DOD D 4 . ? 29.843 17.006 -11.516 1.00 50.11 ? ? ? ? ? ? 314 DOD A D2 1 +HETATM 1081 O O . DOD D 4 . ? 37.208 17.290 -2.722 0.75 35.00 ? ? ? ? ? ? 315 DOD A O 1 +HETATM 1082 D D1 . DOD D 4 . ? 36.748 17.851 -2.066 0.75 33.32 ? ? ? ? ? ? 315 DOD A D1 1 +HETATM 1083 D D2 . DOD D 4 . ? 37.034 16.398 -2.381 0.75 33.28 ? ? ? ? ? ? 315 DOD A D2 1 +HETATM 1084 O O . DOD D 4 . ? 39.924 5.096 15.153 0.75 91.84 ? ? ? ? ? ? 316 DOD A O 1 +HETATM 1085 D D1 . DOD D 4 . ? 40.240 5.673 15.857 0.75 91.50 ? ? ? ? ? ? 316 DOD A D1 1 +HETATM 1086 D D2 . DOD D 4 . ? 39.075 4.751 15.456 0.75 91.50 ? ? ? ? ? ? 316 DOD A D2 1 +HETATM 1087 O O . DOD D 4 . ? 24.792 1.584 -6.585 1.00 53.91 ? ? ? ? ? ? 317 DOD A O 1 +HETATM 1088 D D1 . DOD D 4 . ? 24.014 2.025 -6.941 1.00 52.72 ? ? ? ? ? ? 317 DOD A D1 1 +HETATM 1089 D D2 . DOD D 4 . ? 25.404 2.307 -6.419 1.00 53.49 ? ? ? ? ? ? 317 DOD A D2 1 +HETATM 1090 O O . DOD D 4 . ? 29.052 21.202 9.370 0.75 46.66 ? ? ? ? ? ? 318 DOD A O 1 +HETATM 1091 D D1 . DOD D 4 . ? 28.463 20.601 9.828 0.75 44.03 ? ? ? ? ? ? 318 DOD A D1 1 +HETATM 1092 D D2 . DOD D 4 . ? 29.833 20.748 9.033 0.75 44.42 ? ? ? ? ? ? 318 DOD A D2 1 +HETATM 1093 O O . DOD D 4 . ? 31.855 0.163 0.605 0.75 42.28 ? ? ? ? ? ? 319 DOD A O 1 +HETATM 1094 D D1 . DOD D 4 . ? 30.944 -0.153 0.702 0.75 40.63 ? ? ? ? ? ? 319 DOD A D1 1 +HETATM 1095 D D2 . DOD D 4 . ? 31.809 1.074 0.885 0.75 40.72 ? ? ? ? ? ? 319 DOD A D2 1 +HETATM 1096 O O . DOD D 4 . ? 17.490 9.671 -3.504 0.75 50.06 ? ? ? ? ? ? 320 DOD A O 1 +HETATM 1097 D D1 . DOD D 4 . ? 17.844 10.566 -3.494 0.75 49.93 ? ? ? ? ? ? 320 DOD A D1 1 +HETATM 1098 D D2 . DOD D 4 . ? 16.796 9.717 -2.837 0.75 50.26 ? ? ? ? ? ? 320 DOD A D2 1 +HETATM 1099 O O . DOD D 4 . ? 23.571 -0.806 13.870 0.50 28.53 ? ? ? ? ? ? 321 DOD A O 1 +HETATM 1100 D D1 . DOD D 4 . ? 24.067 -1.107 14.640 0.50 28.83 ? ? ? ? ? ? 321 DOD A D1 1 +HETATM 1101 D D2 . DOD D 4 . ? 23.508 -1.626 13.366 0.50 27.58 ? ? ? ? ? ? 321 DOD A D2 1 +HETATM 1102 O O . DOD D 4 . ? 30.284 21.588 -6.518 0.75 52.32 ? ? ? ? ? ? 322 DOD A O 1 +HETATM 1103 D D1 . DOD D 4 . ? 30.165 22.574 -6.795 0.75 50.92 ? ? ? ? ? ? 322 DOD A D1 1 +HETATM 1104 D D2 . DOD D 4 . ? 29.362 21.275 -6.636 0.75 50.63 ? ? ? ? ? ? 322 DOD A D2 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 ARG 1 1 1 ARG ARG A . n +A 1 2 PRO 2 2 2 PRO PRO A . n +A 1 3 ASP 3 3 3 ASP ASP A . n +A 1 4 PHE 4 4 4 PHE PHE A . n +A 1 5 CYS 5 5 5 CYS CYS A . n +A 1 6 LEU 6 6 6 LEU LEU A . n +A 1 7 GLU 7 7 7 GLU GLU A . n +A 1 8 PRO 8 8 8 PRO PRO A . n +A 1 9 PRO 9 9 9 PRO PRO A . n +A 1 10 TYR 10 10 10 TYR TYR A . n +A 1 11 THR 11 11 11 THR THR A . n +A 1 12 GLY 12 12 12 GLY GLY A . n +A 1 13 PRO 13 13 13 PRO PRO A . n +A 1 14 CYS 14 14 14 CYS CYS A . n +A 1 15 LYS 15 15 15 LYS LYS A . n +A 1 16 ALA 16 16 16 ALA ALA A . n +A 1 17 ARG 17 17 17 ARG ARG A . n +A 1 18 ILE 18 18 18 ILE ILE A . n +A 1 19 ILE 19 19 19 ILE ILE A . n +A 1 20 ARG 20 20 20 ARG ARG A . n +A 1 21 TYR 21 21 21 TYR TYR A . n +A 1 22 PHE 22 22 22 PHE PHE A . n +A 1 23 TYR 23 23 23 TYR TYR A . n +A 1 24 ASN 24 24 24 ASN ASN A . n +A 1 25 ALA 25 25 25 ALA ALA A . n +A 1 26 LYS 26 26 26 LYS LYS A . n +A 1 27 ALA 27 27 27 ALA ALA A . n +A 1 28 GLY 28 28 28 GLY GLY A . n +A 1 29 LEU 29 29 29 LEU LEU A . n +A 1 30 CYS 30 30 30 CYS CYS A . n +A 1 31 GLN 31 31 31 GLN GLN A . n +A 1 32 THR 32 32 32 THR THR A . n +A 1 33 PHE 33 33 33 PHE PHE A . n +A 1 34 VAL 34 34 34 VAL VAL A . n +A 1 35 TYR 35 35 35 TYR TYR A . n +A 1 36 GLY 36 36 36 GLY GLY A . n +A 1 37 GLY 37 37 37 GLY GLY A . n +A 1 38 CYS 38 38 38 CYS CYS A . n +A 1 39 ARG 39 39 39 ARG ARG A . n +A 1 40 ALA 40 40 40 ALA ALA A . n +A 1 41 LYS 41 41 41 LYS LYS A . n +A 1 42 ARG 42 42 42 ARG ARG A . n +A 1 43 ASN 43 43 43 ASN ASN A . n +A 1 44 ASN 44 44 44 ASN ASN A . n +A 1 45 PHE 45 45 45 PHE PHE A . n +A 1 46 LYS 46 46 46 LYS LYS A . n +A 1 47 SER 47 47 47 SER SER A . n +A 1 48 ALA 48 48 48 ALA ALA A . n +A 1 49 GLU 49 49 49 GLU GLU A . n +A 1 50 ASP 50 50 50 ASP ASP A . n +A 1 51 CYS 51 51 51 CYS CYS A . n +A 1 52 MET 52 52 52 MET MET A . n +A 1 53 ARG 53 53 53 ARG ARG A . n +A 1 54 THR 54 54 54 THR THR A . n +A 1 55 CYS 55 55 55 CYS CYS A . n +A 1 56 GLY 56 56 56 GLY GLY A . n +A 1 57 GLY 57 57 57 GLY GLY A . n +A 1 58 ALA 58 58 58 ALA ALA A . n +# +loop_ +_pdbx_version.entry_id +_pdbx_version.revision_date +_pdbx_version.major_version +_pdbx_version.minor_version +_pdbx_version.details +5PTI 2007-03-18 3 100 ? +5PTI 2008-03-27 3 2 'compliance with PDB format V.3.15' +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.method_details PISA +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +_pdbx_entry_details.entry_id 5PTI +_pdbx_entry_details.compound_details ? +_pdbx_entry_details.source_details ? +_pdbx_entry_details.nonpolymer_details 'HETATM UNX 324 IS PROBABLY A POTASSIUM ION IN A PARTIALLY OCCUPIED SITE.' +_pdbx_entry_details.sequence_details ? +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 PO4 1 70 70 PO4 PO4 A . +C 3 UNX 1 324 324 UNX UNK A . +D 4 DOD 1 80 80 DOD DOD A . +D 4 DOD 2 101 101 DOD DOD A . +D 4 DOD 3 102 102 DOD DOD A . +D 4 DOD 4 105 105 DOD DOD A . +D 4 DOD 5 110 110 DOD DOD A . +D 4 DOD 6 111 111 DOD DOD A . +D 4 DOD 7 112 112 DOD DOD A . +D 4 DOD 8 113 113 DOD DOD A . +D 4 DOD 9 116 116 DOD DOD A . +D 4 DOD 10 117 117 DOD DOD A . +D 4 DOD 11 119 119 DOD DOD A . +D 4 DOD 12 121 121 DOD DOD A . +D 4 DOD 13 122 122 DOD DOD A . +D 4 DOD 14 125 125 DOD DOD A . +D 4 DOD 15 126 126 DOD DOD A . +D 4 DOD 16 127 127 DOD DOD A . +D 4 DOD 17 129 129 DOD DOD A . +D 4 DOD 18 133 133 DOD DOD A . +D 4 DOD 19 134 134 DOD DOD A . +D 4 DOD 20 138 138 DOD DOD A . +D 4 DOD 21 140 140 DOD DOD A . +D 4 DOD 22 143 143 DOD DOD A . +D 4 DOD 23 144 144 DOD DOD A . +D 4 DOD 24 145 145 DOD DOD A . +D 4 DOD 25 146 146 DOD DOD A . +D 4 DOD 26 156 156 DOD DOD A . +D 4 DOD 27 157 157 DOD DOD A . +D 4 DOD 28 158 158 DOD DOD A . +D 4 DOD 29 159 159 DOD DOD A . +D 4 DOD 30 160 160 DOD DOD A . +D 4 DOD 31 200 200 DOD DOD A . +D 4 DOD 32 201 201 DOD DOD A . +D 4 DOD 33 202 202 DOD DOD A . +D 4 DOD 34 203 203 DOD DOD A . +D 4 DOD 35 204 204 DOD DOD A . +D 4 DOD 36 205 205 DOD DOD A . +D 4 DOD 37 209 209 DOD DOD A . +D 4 DOD 38 210 210 DOD DOD A . +D 4 DOD 39 211 211 DOD DOD A . +D 4 DOD 40 212 212 DOD DOD A . +D 4 DOD 41 214 214 DOD DOD A . +D 4 DOD 42 216 216 DOD DOD A . +D 4 DOD 43 217 217 DOD DOD A . +D 4 DOD 44 218 218 DOD DOD A . +D 4 DOD 45 219 219 DOD DOD A . +D 4 DOD 46 220 220 DOD DOD A . +D 4 DOD 47 223 223 DOD DOD A . +D 4 DOD 48 225 225 DOD DOD A . +D 4 DOD 49 302 302 DOD DOD A . +D 4 DOD 50 304 304 DOD DOD A . +D 4 DOD 51 310 310 DOD DOD A . +D 4 DOD 52 311 311 DOD DOD A . +D 4 DOD 53 312 312 DOD DOD A . +D 4 DOD 54 313 313 DOD DOD A . +D 4 DOD 55 314 314 DOD DOD A . +D 4 DOD 56 315 315 DOD DOD A . +D 4 DOD 57 316 316 DOD DOD A . +D 4 DOD 58 317 317 DOD DOD A . +D 4 DOD 59 318 318 DOD DOD A . +D 4 DOD 60 319 319 DOD DOD A . +D 4 DOD 61 320 320 DOD DOD A . +D 4 DOD 62 321 321 DOD DOD A . +D 4 DOD 63 322 322 DOD DOD A . +# +_pdbx_validate_close_contact.id 1 +_pdbx_validate_close_contact.PDB_model_num 1 +_pdbx_validate_close_contact.auth_atom_id_1 OE1 +_pdbx_validate_close_contact.auth_asym_id_1 A +_pdbx_validate_close_contact.auth_comp_id_1 GLU +_pdbx_validate_close_contact.auth_seq_id_1 49 +_pdbx_validate_close_contact.PDB_ins_code_1 ? +_pdbx_validate_close_contact.label_alt_id_1 ? +_pdbx_validate_close_contact.auth_atom_id_2 O +_pdbx_validate_close_contact.auth_asym_id_2 A +_pdbx_validate_close_contact.auth_comp_id_2 DOD +_pdbx_validate_close_contact.auth_seq_id_2 304 +_pdbx_validate_close_contact.PDB_ins_code_2 ? +_pdbx_validate_close_contact.label_alt_id_2 ? +_pdbx_validate_close_contact.dist 2.03 +# +_pdbx_validate_symm_contact.id 1 +_pdbx_validate_symm_contact.PDB_model_num 1 +_pdbx_validate_symm_contact.auth_atom_id_1 O +_pdbx_validate_symm_contact.auth_asym_id_1 A +_pdbx_validate_symm_contact.auth_comp_id_1 ALA +_pdbx_validate_symm_contact.auth_seq_id_1 58 +_pdbx_validate_symm_contact.PDB_ins_code_1 ? +_pdbx_validate_symm_contact.label_alt_id_1 ? +_pdbx_validate_symm_contact.site_symmetry_1 1_555 +_pdbx_validate_symm_contact.auth_atom_id_2 O +_pdbx_validate_symm_contact.auth_asym_id_2 A +_pdbx_validate_symm_contact.auth_comp_id_2 DOD +_pdbx_validate_symm_contact.auth_seq_id_2 320 +_pdbx_validate_symm_contact.PDB_ins_code_2 ? +_pdbx_validate_symm_contact.label_alt_id_2 ? +_pdbx_validate_symm_contact.site_symmetry_2 2_564 +_pdbx_validate_symm_contact.dist 2.19 +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_deviation +1 1 CB A ASP 3 ? ? CA A ASP 3 ? ? C A ASP 3 ? ? 16.9 +2 1 OD1 A ASP 3 ? ? CG A ASP 3 ? ? OD2 A ASP 3 ? ? -11.7 +3 1 CB A ASP 3 ? ? CG A ASP 3 ? ? OD2 A ASP 3 ? ? 10.4 +4 1 OE1 A GLU 7 ? A CD A GLU 7 ? A OE2 A GLU 7 ? A 8.2 +5 1 OE1 A GLU 7 ? B CD A GLU 7 ? B OE2 A GLU 7 ? B -33.0 +6 1 CB A TYR 10 ? ? CG A TYR 10 ? ? CD1 A TYR 10 ? ? -3.8 +7 1 CB A CYS 14 ? ? CA A CYS 14 ? ? C A CYS 14 ? ? 7.4 +8 1 CD A ARG 17 ? ? NE A ARG 17 ? ? CZ A ARG 17 ? ? 29.6 +9 1 NE A ARG 17 ? ? CZ A ARG 17 ? ? NH1 A ARG 17 ? ? 3.3 +10 1 CZ A TYR 23 ? ? CE2 A TYR 23 ? ? CD2 A TYR 23 ? ? -5.5 +11 1 CB A PHE 45 ? ? CG A PHE 45 ? ? CD2 A PHE 45 ? ? -4.4 +12 1 CB A GLU 49 ? ? CG A GLU 49 ? ? CD A GLU 49 ? ? 16.5 +13 1 OE1 A GLU 49 ? ? CD A GLU 49 ? ? OE2 A GLU 49 ? ? -28.5 +14 1 CG A GLU 49 ? ? CD A GLU 49 ? ? OE1 A GLU 49 ? ? 20.9 +15 1 CB A ASP 50 ? ? CA A ASP 50 ? ? C A ASP 50 ? ? -15.5 +16 1 OD1 A ASP 50 ? ? CG A ASP 50 ? ? OD2 A ASP 50 ? ? 21.9 +17 1 CB A ASP 50 ? ? CG A ASP 50 ? ? OD1 A ASP 50 ? ? -10.5 +18 1 CB A ASP 50 ? ? CG A ASP 50 ? ? OD2 A ASP 50 ? ? -11.3 +19 1 C A GLY 56 ? ? N A GLY 57 ? ? CA A GLY 57 ? ? 14.5 +20 1 CB A ALA 58 ? ? CA A ALA 58 ? ? C A ALA 58 ? ? 19.3 +# +_pdbx_validate_chiral.id 1 +_pdbx_validate_chiral.PDB_model_num 1 +_pdbx_validate_chiral.auth_comp_id GLU +_pdbx_validate_chiral.auth_asym_id A +_pdbx_validate_chiral.auth_seq_id 7 +_pdbx_validate_chiral.PDB_ins_code ? +_pdbx_validate_chiral.details 'Expecting L Found L OUTSIDE RANGE' +_pdbx_validate_chiral.omega 23.039 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'PHOSPHATE ION' PO4 +3 'UNKNOWN ATOM OR ION' UNX +4 water DOD +# diff --git a/biojava-structure/src/test/resources/5pti.pdb b/biojava-structure/src/test/resources/5pti.pdb new file mode 100644 index 0000000000..0b5a7def17 --- /dev/null +++ b/biojava-structure/src/test/resources/5pti.pdb @@ -0,0 +1,1486 @@ +HEADER PROTEINASE INHIBITOR (TRYPSIN) 05-OCT-84 5PTI +TITLE STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS +TITLE 2 OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: TRYPSIN INHIBITOR; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; +SOURCE 3 ORGANISM_COMMON: CATTLE; +SOURCE 4 ORGANISM_TAXID: 9913 +KEYWDS PROTEINASE INHIBITOR (TRYPSIN) +EXPDTA X-RAY DIFFRACTION; NEUTRON DIFFRACTION +AUTHOR A.WLODAWER,R.HUBER +REVDAT 6 24-FEB-09 5PTI 1 VERSN +REVDAT 5 15-JAN-90 5PTI 1 JRNL +REVDAT 4 16-OCT-87 5PTI 1 HELIX +REVDAT 3 16-APR-87 5PTI 1 REMARK +REVDAT 2 04-MAR-85 5PTI 1 JRNL +REVDAT 1 29-OCT-84 5PTI 0 +JRNL AUTH A.WLODAWER,J.WALTER,R.HUBER,L.SJOLIN +JRNL TITL STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. +JRNL TITL 2 RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF +JRNL TITL 3 CRYSTAL FORM II +JRNL REF J.MOL.BIOL. V. 180 301 1984 +JRNL REFN ISSN 0022-2836 +JRNL PMID 6210373 +JRNL DOI 10.1016/S0022-2836(84)80006-6 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH A.WLODAWER,J.DEISENHOFER,R.HUBER +REMARK 1 TITL COMPARISON OF TWO HIGHLY REFINED STRUCTURES OF +REMARK 1 TITL 2 BOVINE PANCREATIC TRYPSIN INHIBITOR +REMARK 1 REF J.MOL.BIOL. V. 193 145 1987 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH J.WALTER,R.HUBER +REMARK 1 TITL PANCREATIC TRYPSIN INHIBITOR. A NEW CRYSTAL FORM +REMARK 1 TITL 2 AND ITS ANALYSIS +REMARK 1 REF J.MOL.BIOL. V. 167 911 1983 +REMARK 1 REFN ISSN 0022-2836 +REMARK 2 +REMARK 2 RESOLUTION. 1.00 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : NULL +REMARK 3 AUTHORS : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.00 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : NULL +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING SET) : NULL +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 909 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 6 +REMARK 3 SOLVENT ATOMS : 189 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : NULL +REMARK 3 BOND ANGLES (DEGREES) : NULL +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 5PTI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION; NEUTRON +REMARK 200 DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : NULL +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : NULL +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : NULL +REMARK 200 DETECTOR MANUFACTURER : NULL +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : NULL +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 35.87 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.92 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 37.05000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 14.45000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 11.70000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 14.45000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 37.05000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 11.70000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 OE1 GLU A 49 O DOD A 304 2.03 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 O ALA A 58 O DOD A 320 2564 2.19 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ASP A 3 CB - CA - C ANGL. DEV. = 16.9 DEGREES +REMARK 500 ASP A 3 OD1 - CG - OD2 ANGL. DEV. = -11.7 DEGREES +REMARK 500 ASP A 3 CB - CG - OD2 ANGL. DEV. = 10.4 DEGREES +REMARK 500 GLU A 7 OE1 - CD - OE2 ANGL. DEV. = 8.2 DEGREES +REMARK 500 GLU A 7 OE1 - CD - OE2 ANGL. DEV. = -33.0 DEGREES +REMARK 500 TYR A 10 CB - CG - CD1 ANGL. DEV. = -3.8 DEGREES +REMARK 500 CYS A 14 CB - CA - C ANGL. DEV. = 7.4 DEGREES +REMARK 500 ARG A 17 CD - NE - CZ ANGL. DEV. = 29.6 DEGREES +REMARK 500 ARG A 17 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES +REMARK 500 TYR A 23 CZ - CE2 - CD2 ANGL. DEV. = -5.5 DEGREES +REMARK 500 PHE A 45 CB - CG - CD2 ANGL. DEV. = -4.4 DEGREES +REMARK 500 GLU A 49 CB - CG - CD ANGL. DEV. = 16.5 DEGREES +REMARK 500 GLU A 49 OE1 - CD - OE2 ANGL. DEV. = -28.5 DEGREES +REMARK 500 GLU A 49 CG - CD - OE1 ANGL. DEV. = 20.9 DEGREES +REMARK 500 ASP A 50 CB - CA - C ANGL. DEV. = -15.5 DEGREES +REMARK 500 ASP A 50 OD1 - CG - OD2 ANGL. DEV. = 21.9 DEGREES +REMARK 500 ASP A 50 CB - CG - OD1 ANGL. DEV. = -10.5 DEGREES +REMARK 500 ASP A 50 CB - CG - OD2 ANGL. DEV. = -11.3 DEGREES +REMARK 500 GLY A 57 C - N - CA ANGL. DEV. = 14.5 DEGREES +REMARK 500 ALA A 58 CB - CA - C ANGL. DEV. = 19.3 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CHIRAL CENTERS +REMARK 500 +REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL +REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY +REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) +REMARK 500 +REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS +REMARK 500 GLU A 7 23.0 L L OUTSIDE RANGE +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 600 +REMARK 600 HETEROGEN +REMARK 600 HETATM UNX 324 IS PROBABLY A POTASSIUM ION IN A PARTIALLY +REMARK 600 OCCUPIED SITE. +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 70 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE UNX A 324 +DBREF 5PTI A 1 58 UNP P00974 BPT1_BOVIN 36 93 +SEQRES 1 A 58 ARG PRO ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO +SEQRES 2 A 58 CYS LYS ALA ARG ILE ILE ARG TYR PHE TYR ASN ALA LYS +SEQRES 3 A 58 ALA GLY LEU CYS GLN THR PHE VAL TYR GLY GLY CYS ARG +SEQRES 4 A 58 ALA LYS ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET +SEQRES 5 A 58 ARG THR CYS GLY GLY ALA +HET PO4 A 70 5 +HET UNX A 324 1 +HETNAM PO4 PHOSPHATE ION +HETNAM UNX UNKNOWN ATOM OR ION +HETNAM DOD DEUTERATED WATER +FORMUL 2 PO4 O4 P 3- +FORMUL 3 UNX X +FORMUL 4 DOD 63(O) +HELIX 1 H1 PRO A 2 GLU A 7 5ALL DONORS,ACCEPTORS INCLUDED 6 +HELIX 2 H2 SER A 47 GLY A 56 1ALL DONORS,ACCEPTORS INCLUDED 10 +SHEET 1 S1 3 LEU A 29 TYR A 35 0 +SHEET 2 S1 3 ILE A 18 ASN A 24 -1 N ILE A 18 O TYR A 35 +SHEET 3 S1 3 PHE A 45 PHE A 45 -1 N PHE A 45 O TYR A 21 +SSBOND 1 CYS A 5 CYS A 55 1555 1555 2.04 +SSBOND 2 CYS A 14 CYS A 38 1555 1555 2.03 +SSBOND 3 CYS A 30 CYS A 51 1555 1555 2.02 +SITE 1 AC1 5 ARG A 20 TYR A 35 LYS A 41 DOD A 140 +SITE 2 AC1 5 DOD A 157 +SITE 1 AC2 3 TYR A 23 CYS A 30 MET A 52 +CRYST1 74.100 23.400 28.900 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 0.013495 0.000000 0.000000 0.00000 +ORIGX2 0.000000 0.042735 0.000000 0.00000 +ORIGX3 0.000000 0.000000 0.034602 0.00000 +SCALE1 0.013495 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.042735 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.034602 0.00000 +ATOM 1 N ARG A 1 32.231 15.281 -13.143 1.00 28.28 N +ATOM 2 CA ARG A 1 32.184 14.697 -11.772 1.00 27.90 C +ATOM 3 C ARG A 1 33.438 13.890 -11.387 1.00 24.90 C +ATOM 4 O ARG A 1 34.102 13.070 -12.066 1.00 24.44 O +ATOM 5 CB ARG A 1 30.797 14.065 -11.625 1.00 27.88 C +ATOM 6 CG ARG A 1 30.976 12.589 -11.819 1.00 29.61 C +ATOM 7 CD ARG A 1 29.608 12.016 -11.694 1.00 31.91 C +ATOM 8 NE ARG A 1 28.942 12.335 -12.945 1.00 33.51 N +ATOM 9 CZ ARG A 1 27.670 12.696 -13.050 1.00 34.29 C +ATOM 10 NH1 ARG A 1 26.901 12.777 -11.999 1.00 34.48 N +ATOM 11 NH2 ARG A 1 27.161 12.963 -14.255 1.00 35.44 N +ATOM 12 D1 ARG A 1 32.983 14.824 -13.703 1.00 27.71 D +ATOM 13 D2 ARG A 1 31.275 15.112 -13.535 1.00 28.50 D +ATOM 14 D3 ARG A 1 32.174 16.346 -13.050 1.00 28.23 D +ATOM 15 HA ARG A 1 32.192 15.563 -11.115 1.00 26.97 H +ATOM 16 HB2 ARG A 1 30.392 14.428 -10.697 1.00 28.71 H +ATOM 17 HB3 ARG A 1 30.182 14.438 -12.437 1.00 28.97 H +ATOM 18 HG2 ARG A 1 31.369 12.359 -12.800 1.00 29.44 H +ATOM 19 HG3 ARG A 1 31.591 12.143 -11.105 1.00 29.52 H +ATOM 20 HD2 ARG A 1 29.656 10.965 -11.482 1.00 31.41 H +ATOM 21 HD3 ARG A 1 29.218 12.381 -10.794 1.00 31.29 H +ATOM 22 DE ARG A 1 29.457 12.292 -13.843 1.00 34.62 D +ATOM 23 DH11 ARG A 1 25.930 13.038 -12.118 1.00 34.80 D +ATOM 24 DH12 ARG A 1 27.324 12.549 -11.100 1.00 34.71 D +ATOM 25 DH21 ARG A 1 27.786 12.886 -15.076 1.00 33.93 D +ATOM 26 DH22 ARG A 1 26.154 13.214 -14.269 1.00 34.53 D +ATOM 27 N PRO A 2 33.738 14.173 -10.126 1.00 22.41 N +ATOM 28 CA PRO A 2 34.897 13.603 -9.390 1.00 19.52 C +ATOM 29 C PRO A 2 34.652 12.135 -9.374 1.00 17.70 C +ATOM 30 O PRO A 2 33.583 11.537 -9.255 1.00 16.41 O +ATOM 31 CB PRO A 2 34.826 14.292 -8.056 1.00 21.00 C +ATOM 32 CG PRO A 2 33.927 15.515 -8.135 1.00 20.91 C +ATOM 33 CD PRO A 2 32.967 15.143 -9.243 1.00 22.49 C +ATOM 34 HA PRO A 2 35.676 14.152 -9.928 1.00 20.45 H +ATOM 35 HB2 PRO A 2 34.431 13.672 -7.369 1.00 19.62 H +ATOM 36 HB3 PRO A 2 35.763 14.517 -7.635 1.00 20.71 H +ATOM 37 HG2 PRO A 2 33.695 15.873 -7.330 1.00 21.92 H +ATOM 38 HG3 PRO A 2 34.491 16.303 -8.682 1.00 21.93 H +ATOM 39 HD2 PRO A 2 32.028 14.742 -9.058 1.00 22.01 H +ATOM 40 HD3 PRO A 2 32.880 16.031 -9.875 1.00 22.06 H +ATOM 41 N ASP A 3 35.790 11.466 -9.466 1.00 16.15 N +ATOM 42 CA ASP A 3 35.837 10.014 -9.507 1.00 17.15 C +ATOM 43 C ASP A 3 35.296 9.402 -8.236 1.00 13.33 C +ATOM 44 O ASP A 3 34.812 8.288 -8.260 1.00 12.36 O +ATOM 45 CB ASP A 3 37.124 9.634 -10.244 1.00 24.92 C +ATOM 46 CG ASP A 3 36.968 9.957 -11.773 1.00 31.50 C +ATOM 47 OD1 ASP A 3 37.083 11.141 -12.174 1.00 35.71 O +ATOM 48 OD2 ASP A 3 36.712 9.158 -12.735 1.00 35.43 O +ATOM 49 D ASP A 3 36.688 11.887 -9.571 1.00 17.62 D +ATOM 50 HA ASP A 3 35.144 9.745 -10.321 1.00 17.24 H +ATOM 51 HB2 ASP A 3 37.980 10.245 -10.070 1.00 24.71 H +ATOM 52 HB3 ASP A 3 37.455 8.626 -10.132 1.00 24.82 H +ATOM 53 N PHE A 4 35.466 10.210 -7.174 1.00 12.38 N +ATOM 54 CA PHE A 4 34.975 9.704 -5.855 1.00 13.61 C +ATOM 55 C PHE A 4 33.438 9.514 -5.843 1.00 13.10 C +ATOM 56 O PHE A 4 32.937 8.733 -5.020 1.00 13.82 O +ATOM 57 CB PHE A 4 35.435 10.423 -4.613 1.00 12.65 C +ATOM 58 CG PHE A 4 34.960 11.819 -4.512 1.00 12.81 C +ATOM 59 CD1 PHE A 4 33.708 12.036 -3.946 1.00 12.38 C +ATOM 60 CD2 PHE A 4 35.717 12.897 -4.923 1.00 13.29 C +ATOM 61 CE1 PHE A 4 33.249 13.321 -3.826 1.00 14.62 C +ATOM 62 CE2 PHE A 4 35.276 14.180 -4.764 1.00 14.01 C +ATOM 63 CZ PHE A 4 33.998 14.423 -4.229 1.00 13.69 C +ATOM 64 D PHE A 4 35.855 11.106 -7.148 1.00 12.61 D +ATOM 65 HA PHE A 4 35.473 8.781 -5.789 1.00 13.11 H +ATOM 66 HB2 PHE A 4 34.977 9.863 -3.723 1.00 13.10 H +ATOM 67 HB3 PHE A 4 36.455 10.163 -4.400 1.00 13.31 H +ATOM 68 HD1 PHE A 4 33.150 11.213 -3.635 1.00 13.03 H +ATOM 69 HD2 PHE A 4 36.680 12.699 -5.370 1.00 12.63 H +ATOM 70 HE1 PHE A 4 32.321 13.499 -3.366 1.00 13.29 H +ATOM 71 HE2 PHE A 4 35.758 15.036 -5.065 1.00 13.88 H +ATOM 72 HZ PHE A 4 33.588 15.411 -4.093 1.00 14.46 H +ATOM 73 N CYS A 5 32.757 10.236 -6.732 1.00 12.49 N +ATOM 74 CA CYS A 5 31.286 10.029 -6.794 1.00 10.18 C +ATOM 75 C CYS A 5 30.864 8.652 -7.254 1.00 10.29 C +ATOM 76 O CYS A 5 29.690 8.279 -7.116 1.00 10.73 O +ATOM 77 CB CYS A 5 30.794 11.065 -7.789 1.00 10.74 C +ATOM 78 SG CYS A 5 31.075 12.797 -7.325 1.00 12.66 S +ATOM 79 D CYS A 5 33.206 10.888 -7.363 1.00 12.80 D +ATOM 80 HA CYS A 5 30.964 10.266 -5.800 1.00 10.82 H +ATOM 81 HB2 CYS A 5 31.501 10.869 -8.603 1.00 11.04 H +ATOM 82 HB3 CYS A 5 29.793 10.892 -8.171 1.00 10.88 H +ATOM 83 N LEU A 6 31.740 7.909 -7.843 1.00 10.75 N +ATOM 84 CA LEU A 6 31.467 6.583 -8.351 1.00 12.75 C +ATOM 85 C LEU A 6 31.799 5.589 -7.246 1.00 13.85 C +ATOM 86 O LEU A 6 31.435 4.425 -7.543 1.00 15.33 O +ATOM 87 CB LEU A 6 32.345 6.258 -9.563 1.00 14.73 C +ATOM 88 CG LEU A 6 32.299 7.212 -10.787 1.00 16.78 C +ATOM 89 CD1 LEU A 6 33.160 6.693 -11.917 1.00 17.42 C +ATOM 90 CD2 LEU A 6 30.881 7.341 -11.280 1.00 16.88 C +ATOM 91 D LEU A 6 32.679 8.218 -7.970 1.00 11.34 D +ATOM 92 HA LEU A 6 30.422 6.406 -8.558 1.00 13.62 H +ATOM 93 HB2 LEU A 6 33.392 6.256 -9.245 1.00 14.22 H +ATOM 94 HB3 LEU A 6 32.141 5.230 -9.918 1.00 14.86 H +ATOM 95 HG LEU A 6 32.550 8.192 -10.401 1.00 16.74 H +ATOM 96 HD11 LEU A 6 34.189 6.620 -11.585 1.00 17.89 H +ATOM 97 HD12 LEU A 6 32.719 5.718 -12.170 1.00 17.82 H +ATOM 98 HD13 LEU A 6 33.064 7.391 -12.752 1.00 17.88 H +ATOM 99 HD21 LEU A 6 30.328 6.553 -10.667 1.00 16.77 H +ATOM 100 HD22 LEU A 6 30.078 8.051 -11.126 1.00 17.21 H +ATOM 101 HD23 LEU A 6 30.861 7.064 -12.332 1.00 16.98 H +ATOM 102 N GLU A 7 32.397 5.971 -6.128 1.00 12.79 N +ATOM 103 CA GLU A 7 32.663 4.924 -5.112 1.00 15.64 C +ATOM 104 C GLU A 7 31.435 4.576 -4.301 1.00 12.90 C +ATOM 105 O GLU A 7 30.565 5.427 -4.120 1.00 12.97 O +ATOM 106 CB AGLU A 7 33.865 5.265 -4.204 0.50 17.43 C +ATOM 107 CB BGLU A 7 34.000 4.971 -4.371 0.50 15.43 C +ATOM 108 CG AGLU A 7 34.117 6.694 -3.781 0.50 19.72 C +ATOM 109 CG BGLU A 7 35.189 5.031 -5.331 0.50 15.96 C +ATOM 110 CD AGLU A 7 34.935 7.120 -2.561 0.50 20.46 C +ATOM 111 CD BGLU A 7 35.814 3.742 -5.819 0.50 16.40 C +ATOM 112 OE1AGLU A 7 36.104 6.753 -2.502 0.50 22.37 O +ATOM 113 OE1BGLU A 7 35.348 2.965 -6.631 0.50 16.49 O +ATOM 114 OE2AGLU A 7 34.267 7.823 -1.815 0.50 18.99 O +ATOM 115 OE2BGLU A 7 35.846 2.854 -4.979 0.50 16.88 O +ATOM 116 D GLU A 7 32.631 6.879 -5.916 1.00 13.33 D +ATOM 117 HA GLU A 7 32.837 4.055 -5.770 1.00 14.63 H +ATOM 118 HB2AGLU A 7 33.913 4.637 -3.325 0.50 18.60 H +ATOM 119 HB2BGLU A 7 34.007 5.833 -3.693 0.50 15.91 H +ATOM 120 HB3AGLU A 7 34.757 4.929 -4.809 0.50 17.98 H +ATOM 121 HB3BGLU A 7 34.147 4.095 -3.748 0.50 15.98 H +ATOM 122 HG2AGLU A 7 34.689 7.248 -4.538 0.50 19.95 H +ATOM 123 HG2BGLU A 7 34.911 5.551 -6.241 0.50 15.98 H +ATOM 124 HG3AGLU A 7 33.221 7.296 -3.671 0.50 19.64 H +ATOM 125 HG3BGLU A 7 35.976 5.605 -4.862 0.50 16.05 H +ATOM 126 N PRO A 8 31.351 3.333 -3.911 1.00 13.23 N +ATOM 127 CA PRO A 8 30.224 2.852 -3.086 1.00 13.50 C +ATOM 128 C PRO A 8 30.334 3.516 -1.707 1.00 12.26 C +ATOM 129 O PRO A 8 31.391 3.997 -1.293 1.00 11.77 O +ATOM 130 CB PRO A 8 30.283 1.334 -2.995 1.00 15.10 C +ATOM 131 CG PRO A 8 31.757 1.097 -3.199 1.00 16.05 C +ATOM 132 CD PRO A 8 32.313 2.218 -4.085 1.00 15.37 C +ATOM 133 HA PRO A 8 29.270 3.086 -3.515 1.00 13.91 H +ATOM 134 HB2 PRO A 8 29.909 0.979 -2.059 1.00 15.27 H +ATOM 135 HB3 PRO A 8 29.773 0.877 -3.721 1.00 15.88 H +ATOM 136 HG2 PRO A 8 32.262 1.339 -2.263 1.00 15.42 H +ATOM 137 HG3 PRO A 8 31.885 0.245 -3.473 1.00 15.73 H +ATOM 138 HD2 PRO A 8 33.271 2.433 -3.655 1.00 14.70 H +ATOM 139 HD3 PRO A 8 32.442 2.084 -5.129 1.00 13.81 H +ATOM 140 N PRO A 9 29.200 3.631 -1.017 1.00 11.39 N +ATOM 141 CA PRO A 9 29.160 4.238 0.321 1.00 11.12 C +ATOM 142 C PRO A 9 29.993 3.377 1.274 1.00 10.17 C +ATOM 143 O PRO A 9 30.074 2.152 1.156 1.00 12.88 O +ATOM 144 CB PRO A 9 27.687 4.418 0.604 1.00 11.43 C +ATOM 145 CG PRO A 9 27.075 3.186 -0.051 1.00 12.21 C +ATOM 146 CD PRO A 9 27.842 3.087 -1.403 1.00 11.84 C +ATOM 147 HA PRO A 9 29.948 4.895 0.524 1.00 11.67 H +ATOM 148 HB2 PRO A 9 27.561 4.500 1.669 1.00 11.73 H +ATOM 149 HB3 PRO A 9 27.101 5.216 0.385 1.00 11.99 H +ATOM 150 HG2 PRO A 9 27.438 2.371 0.555 1.00 12.56 H +ATOM 151 HG3 PRO A 9 26.185 3.227 -0.191 1.00 12.62 H +ATOM 152 HD2 PRO A 9 28.020 2.060 -1.684 1.00 12.42 H +ATOM 153 HD3 PRO A 9 27.381 3.649 -2.145 1.00 12.15 H +ATOM 154 N TYR A 10 30.651 4.022 2.200 1.00 9.53 N +ATOM 155 CA TYR A 10 31.512 3.320 3.156 1.00 10.73 C +ATOM 156 C TYR A 10 31.044 3.577 4.617 1.00 9.35 C +ATOM 157 O TYR A 10 31.146 4.687 5.117 1.00 9.61 O +ATOM 158 CB TYR A 10 32.937 3.888 2.901 1.00 12.55 C +ATOM 159 CG TYR A 10 33.970 3.270 3.808 1.00 14.36 C +ATOM 160 CD1 TYR A 10 34.254 1.932 3.622 1.00 16.08 C +ATOM 161 CD2 TYR A 10 34.619 4.002 4.797 1.00 14.93 C +ATOM 162 CE1 TYR A 10 35.226 1.305 4.406 1.00 16.73 C +ATOM 163 CE2 TYR A 10 35.621 3.422 5.573 1.00 15.90 C +ATOM 164 CZ TYR A 10 35.896 2.071 5.383 1.00 17.33 C +ATOM 165 OH TYR A 10 36.861 1.438 6.195 1.00 19.17 O +ATOM 166 D TYR A 10 30.552 5.011 2.208 1.00 11.16 D +ATOM 167 HA TYR A 10 31.496 2.274 3.038 1.00 9.89 H +ATOM 168 HB2 TYR A 10 33.209 3.682 1.839 1.00 12.54 H +ATOM 169 HB3 TYR A 10 32.886 4.980 2.956 1.00 13.38 H +ATOM 170 HD1 TYR A 10 33.815 1.318 2.852 1.00 15.57 H +ATOM 171 HD2 TYR A 10 34.400 5.053 4.955 1.00 15.82 H +ATOM 172 HE1 TYR A 10 35.521 0.270 4.282 1.00 17.01 H +ATOM 173 HE2 TYR A 10 36.108 3.926 6.391 1.00 16.44 H +ATOM 174 DH TYR A 10 37.454 0.912 5.573 1.00 18.49 D +ATOM 175 N THR A 11 30.520 2.576 5.235 1.00 10.38 N +ATOM 176 CA THR A 11 30.045 2.720 6.641 1.00 12.46 C +ATOM 177 C THR A 11 31.223 2.838 7.584 1.00 11.29 C +ATOM 178 O THR A 11 31.192 3.641 8.497 1.00 11.82 O +ATOM 179 CB THR A 11 29.228 1.496 7.037 1.00 13.67 C +ATOM 180 OG1 THR A 11 28.069 1.656 6.232 1.00 15.23 O +ATOM 181 CG2 THR A 11 28.852 1.446 8.517 1.00 14.27 C +ATOM 182 D THR A 11 30.436 1.643 4.870 1.00 10.49 D +ATOM 183 HA THR A 11 29.423 3.601 6.562 1.00 11.61 H +ATOM 184 HB THR A 11 29.870 0.631 6.788 1.00 14.33 H +ATOM 185 DG1 THR A 11 27.430 2.351 6.648 1.00 13.46 D +ATOM 186 HG21 THR A 11 28.326 2.341 8.826 1.00 14.24 H +ATOM 187 HG22 THR A 11 28.145 0.662 8.885 1.00 14.01 H +ATOM 188 HG23 THR A 11 29.753 1.305 9.111 1.00 14.17 H +ATOM 189 N GLY A 12 32.251 2.091 7.350 1.00 12.43 N +ATOM 190 CA GLY A 12 33.523 2.128 8.130 1.00 13.15 C +ATOM 191 C GLY A 12 33.399 1.159 9.309 1.00 12.80 C +ATOM 192 O GLY A 12 32.437 0.461 9.511 1.00 12.30 O +ATOM 193 D GLY A 12 32.396 1.396 6.648 1.00 13.32 D +ATOM 194 HA2 GLY A 12 34.329 1.947 7.445 1.00 12.98 H +ATOM 195 HA3 GLY A 12 33.702 3.161 8.474 1.00 12.73 H +ATOM 196 N PRO A 13 34.502 1.082 10.072 1.00 14.49 N +ATOM 197 CA PRO A 13 34.519 0.168 11.227 1.00 13.95 C +ATOM 198 C PRO A 13 33.916 0.539 12.596 1.00 13.29 C +ATOM 199 O PRO A 13 33.930 -0.237 13.544 1.00 14.10 O +ATOM 200 CB PRO A 13 36.012 -0.082 11.370 1.00 13.23 C +ATOM 201 CG PRO A 13 36.631 1.239 10.992 1.00 14.60 C +ATOM 202 CD PRO A 13 35.765 1.879 9.928 1.00 13.98 C +ATOM 203 HA PRO A 13 33.847 -0.643 11.074 1.00 14.35 H +ATOM 204 HB2 PRO A 13 36.119 -0.140 12.472 1.00 14.34 H +ATOM 205 HB3 PRO A 13 36.450 -0.937 11.151 1.00 15.01 H +ATOM 206 HG2 PRO A 13 36.465 1.829 11.916 1.00 14.42 H +ATOM 207 HG3 PRO A 13 37.553 1.200 10.948 1.00 14.14 H +ATOM 208 HD2 PRO A 13 35.329 2.839 10.245 1.00 15.29 H +ATOM 209 HD3 PRO A 13 36.248 1.923 9.001 1.00 14.83 H +ATOM 210 N CYS A 14 33.434 1.727 12.750 1.00 12.13 N +ATOM 211 CA CYS A 14 32.817 2.337 13.956 1.00 13.10 C +ATOM 212 C CYS A 14 31.326 1.931 13.983 1.00 14.28 C +ATOM 213 O CYS A 14 30.770 1.555 12.956 1.00 14.31 O +ATOM 214 CB CYS A 14 33.176 3.792 14.087 1.00 11.97 C +ATOM 215 SG CYS A 14 34.877 4.044 14.560 1.00 12.63 S +ATOM 216 D CYS A 14 33.427 2.362 11.996 1.00 13.25 D +ATOM 217 HA CYS A 14 33.224 1.848 14.827 1.00 13.16 H +ATOM 218 HB2 CYS A 14 33.021 4.260 13.114 1.00 13.49 H +ATOM 219 HB3 CYS A 14 32.555 4.350 14.792 1.00 13.18 H +ATOM 220 N LYS A 15 30.797 1.938 15.212 1.00 15.59 N +ATOM 221 CA LYS A 15 29.455 1.371 15.454 1.00 16.40 C +ATOM 222 C LYS A 15 28.360 2.334 15.735 1.00 14.53 C +ATOM 223 O LYS A 15 27.329 1.956 16.299 1.00 16.12 O +ATOM 224 CB LYS A 15 29.669 0.354 16.551 1.00 20.41 C +ATOM 225 CG LYS A 15 30.972 -0.476 16.541 1.00 23.07 C +ATOM 226 CD LYS A 15 30.959 -1.503 15.478 1.00 26.62 C +ATOM 227 CE LYS A 15 32.296 -2.170 15.136 1.00 30.12 C +ATOM 228 NZ LYS A 15 31.836 -3.309 14.215 1.00 33.66 N +ATOM 229 D LYS A 15 31.295 2.148 16.031 1.00 14.44 D +ATOM 230 HA LYS A 15 29.255 0.802 14.539 1.00 16.86 H +ATOM 231 HB2 LYS A 15 29.799 0.904 17.523 1.00 20.00 H +ATOM 232 HB3 LYS A 15 28.831 -0.272 16.908 1.00 19.65 H +ATOM 233 HG2 LYS A 15 31.824 0.190 16.751 1.00 23.69 H +ATOM 234 HG3 LYS A 15 30.934 -0.947 17.555 1.00 23.35 H +ATOM 235 HD2 LYS A 15 30.314 -2.379 15.590 1.00 26.65 H +ATOM 236 HD3 LYS A 15 30.655 -1.058 14.485 1.00 26.43 H +ATOM 237 HE2 LYS A 15 32.766 -1.611 14.351 1.00 30.52 H +ATOM 238 HE3 LYS A 15 32.769 -2.717 15.928 1.00 30.42 H +ATOM 239 DZ1 LYS A 15 31.352 -2.960 13.354 1.00 32.81 D +ATOM 240 DZ2 LYS A 15 32.722 -3.881 14.018 1.00 33.31 D +ATOM 241 DZ3 LYS A 15 31.212 -4.018 14.678 1.00 32.78 D +ATOM 242 N ALA A 16 28.538 3.555 15.339 1.00 12.01 N +ATOM 243 CA ALA A 16 27.519 4.598 15.454 1.00 12.90 C +ATOM 244 C ALA A 16 26.498 4.287 14.310 1.00 12.51 C +ATOM 245 O ALA A 16 26.836 3.476 13.402 1.00 13.19 O +ATOM 246 CB ALA A 16 27.988 6.045 15.277 1.00 11.07 C +ATOM 247 D ALA A 16 29.382 3.725 14.844 1.00 15.12 D +ATOM 248 HA ALA A 16 27.005 4.610 16.375 1.00 11.30 H +ATOM 249 HB1 ALA A 16 28.805 6.350 15.920 1.00 12.51 H +ATOM 250 HB2 ALA A 16 28.517 6.226 14.332 1.00 12.25 H +ATOM 251 HB3 ALA A 16 27.104 6.681 15.367 1.00 12.27 H +ATOM 252 N ARG A 17 25.365 4.924 14.324 1.00 12.27 N +ATOM 253 CA ARG A 17 24.373 4.865 13.248 1.00 13.57 C +ATOM 254 C ARG A 17 24.031 6.307 12.896 1.00 11.67 C +ATOM 255 O ARG A 17 23.100 6.914 13.431 1.00 13.64 O +ATOM 256 CB ARG A 17 23.121 4.138 13.566 1.00 15.95 C +ATOM 257 CG ARG A 17 23.529 2.682 13.790 1.00 21.32 C +ATOM 258 CD ARG A 17 22.243 2.045 14.156 1.00 25.64 C +ATOM 259 NE ARG A 17 21.702 1.586 12.894 1.00 32.90 N +ATOM 260 CZ ARG A 17 20.864 1.665 11.854 1.00 35.77 C +ATOM 261 NH1 ARG A 17 19.924 2.628 11.721 1.00 36.79 N +ATOM 262 NH2 ARG A 17 20.970 0.717 10.868 1.00 36.81 N +ATOM 263 D ARG A 17 25.215 5.619 15.055 1.00 13.85 D +ATOM 264 HA ARG A 17 24.803 4.465 12.336 1.00 12.52 H +ATOM 265 HB2 ARG A 17 22.566 4.456 14.456 1.00 17.10 H +ATOM 266 HB3 ARG A 17 22.446 4.306 12.740 1.00 17.01 H +ATOM 267 HG2 ARG A 17 24.096 2.201 13.028 1.00 20.76 H +ATOM 268 HG3 ARG A 17 24.162 2.597 14.652 1.00 20.12 H +ATOM 269 HD2 ARG A 17 22.509 1.196 14.762 1.00 27.02 H +ATOM 270 HD3 ARG A 17 21.617 2.668 14.729 1.00 26.69 H +ATOM 271 DE ARG A 17 22.338 0.732 12.765 1.00 34.58 D +ATOM 272 DH11 ARG A 17 19.809 3.376 12.418 1.00 35.94 D +ATOM 273 DH12 ARG A 17 19.300 2.647 10.901 1.00 35.75 D +ATOM 274 DH21 ARG A 17 21.641 -0.055 10.942 1.00 35.56 D +ATOM 275 DH22 ARG A 17 20.319 0.741 10.088 1.00 35.91 D +ATOM 276 N ILE A 18 24.783 6.955 12.017 1.00 10.78 N +ATOM 277 CA ILE A 18 24.709 8.341 11.537 1.00 10.61 C +ATOM 278 C ILE A 18 24.204 8.278 10.079 1.00 10.94 C +ATOM 279 O ILE A 18 24.876 7.679 9.249 1.00 10.62 O +ATOM 280 CB ILE A 18 26.042 9.082 11.623 1.00 11.97 C +ATOM 281 CG1 ILE A 18 26.652 9.020 13.051 1.00 13.12 C +ATOM 282 CG2 ILE A 18 25.974 10.525 11.176 1.00 10.95 C +ATOM 283 CD1 ILE A 18 28.148 9.276 13.084 1.00 13.42 C +ATOM 284 H ILE A 18 25.549 6.401 11.624 1.00 11.76 H +ATOM 285 HA ILE A 18 24.000 8.847 12.188 1.00 11.05 H +ATOM 286 HB ILE A 18 26.865 8.594 11.118 1.00 11.50 H +ATOM 287 HG12 ILE A 18 25.954 9.414 13.777 1.00 13.26 H +ATOM 288 HG13 ILE A 18 26.548 7.951 13.380 1.00 13.89 H +ATOM 289 HG21 ILE A 18 25.331 10.602 10.286 1.00 11.59 H +ATOM 290 HG22 ILE A 18 25.493 11.179 11.921 1.00 12.37 H +ATOM 291 HG23 ILE A 18 26.964 10.890 10.940 1.00 12.46 H +ATOM 292 HD11 ILE A 18 28.535 10.191 12.656 1.00 14.38 H +ATOM 293 HD12 ILE A 18 28.455 8.952 14.098 1.00 13.86 H +ATOM 294 HD13 ILE A 18 28.699 8.514 12.441 1.00 13.73 H +ATOM 295 N ILE A 19 23.050 8.866 9.854 1.00 10.63 N +ATOM 296 CA ILE A 19 22.472 8.852 8.467 1.00 11.65 C +ATOM 297 C ILE A 19 23.093 9.970 7.681 1.00 10.38 C +ATOM 298 O ILE A 19 23.078 11.156 8.055 1.00 12.22 O +ATOM 299 CB ILE A 19 20.954 9.049 8.496 1.00 13.30 C +ATOM 300 CG1 ILE A 19 20.478 7.843 9.308 1.00 15.24 C +ATOM 301 CG2 ILE A 19 20.383 9.074 7.118 1.00 13.64 C +ATOM 302 CD1 ILE A 19 21.047 6.435 9.116 1.00 16.83 C +ATOM 303 D ILE A 19 22.527 9.412 10.455 1.00 10.47 D +ATOM 304 HA ILE A 19 22.918 7.937 8.132 1.00 10.97 H +ATOM 305 HB ILE A 19 20.852 10.028 8.952 1.00 14.17 H +ATOM 306 HG12 ILE A 19 20.631 8.038 10.370 1.00 15.45 H +ATOM 307 HG13 ILE A 19 19.392 7.700 9.202 1.00 15.29 H +ATOM 308 HG21 ILE A 19 20.776 8.130 6.682 1.00 13.57 H +ATOM 309 HG22 ILE A 19 19.302 8.957 7.044 1.00 13.63 H +ATOM 310 HG23 ILE A 19 20.641 9.847 6.406 1.00 14.10 H +ATOM 311 HD11 ILE A 19 22.105 6.190 9.208 1.00 15.89 H +ATOM 312 HD12 ILE A 19 20.411 5.657 9.580 1.00 16.70 H +ATOM 313 HD13 ILE A 19 20.856 6.216 8.025 1.00 15.33 H +ATOM 314 N ARG A 20 23.726 9.516 6.564 1.00 10.55 N +ATOM 315 CA ARG A 20 24.442 10.455 5.670 1.00 10.78 C +ATOM 316 C ARG A 20 23.927 10.184 4.206 1.00 9.27 C +ATOM 317 O ARG A 20 23.300 9.191 3.965 1.00 10.69 O +ATOM 318 CB ARG A 20 25.962 10.178 5.691 1.00 9.44 C +ATOM 319 CG ARG A 20 26.624 10.625 7.025 1.00 10.78 C +ATOM 320 CD ARG A 20 26.683 12.084 7.147 1.00 12.14 C +ATOM 321 NE ARG A 20 27.301 12.496 8.436 1.00 13.47 N +ATOM 322 CZ ARG A 20 28.569 12.515 8.793 1.00 14.63 C +ATOM 323 NH1 ARG A 20 29.528 12.120 7.954 1.00 14.38 N +ATOM 324 NH2 ARG A 20 28.880 12.930 10.036 1.00 15.39 N +ATOM 325 H ARG A 20 23.787 8.592 6.237 1.00 11.60 H +ATOM 326 HA ARG A 20 24.058 11.425 5.818 1.00 9.96 H +ATOM 327 HB2 ARG A 20 25.997 9.096 5.514 1.00 11.42 H +ATOM 328 HB3 ARG A 20 26.473 10.556 4.823 1.00 11.61 H +ATOM 329 HG2 ARG A 20 26.061 10.144 7.831 1.00 10.85 H +ATOM 330 HG3 ARG A 20 27.535 10.103 7.169 1.00 11.31 H +ATOM 331 HD2 ARG A 20 27.287 12.570 6.390 1.00 12.19 H +ATOM 332 HD3 ARG A 20 25.902 12.789 7.042 1.00 11.77 H +ATOM 333 DE ARG A 20 26.641 12.861 9.099 1.00 15.00 D +ATOM 334 DH11 ARG A 20 30.497 12.035 8.190 1.00 15.45 D +ATOM 335 DH12 ARG A 20 29.294 11.758 7.027 1.00 15.68 D +ATOM 336 DH21 ARG A 20 29.867 12.914 10.308 1.00 13.82 D +ATOM 337 DH22 ARG A 20 28.137 13.263 10.632 1.00 14.55 D +ATOM 338 N TYR A 21 24.290 11.111 3.341 1.00 9.20 N +ATOM 339 CA TYR A 21 23.980 10.950 1.898 1.00 8.22 C +ATOM 340 C TYR A 21 25.230 10.503 1.171 1.00 8.71 C +ATOM 341 O TYR A 21 26.337 10.911 1.504 1.00 8.47 O +ATOM 342 CB TYR A 21 23.571 12.308 1.316 1.00 9.14 C +ATOM 343 CG TYR A 21 22.096 12.567 1.577 1.00 10.30 C +ATOM 344 CD1 TYR A 21 21.657 13.359 2.656 1.00 10.02 C +ATOM 345 CD2 TYR A 21 21.170 12.008 0.718 1.00 10.29 C +ATOM 346 CE1 TYR A 21 20.312 13.586 2.819 1.00 11.24 C +ATOM 347 CE2 TYR A 21 19.795 12.189 0.909 1.00 11.46 C +ATOM 348 CZ TYR A 21 19.370 13.026 1.971 1.00 12.26 C +ATOM 349 OH TYR A 21 17.995 13.168 2.092 1.00 13.81 O +ATOM 350 H TYR A 21 24.869 11.855 3.627 1.00 9.54 H +ATOM 351 HA TYR A 21 23.253 10.171 1.894 1.00 9.45 H +ATOM 352 HB2 TYR A 21 24.218 13.154 1.485 1.00 10.74 H +ATOM 353 HB3 TYR A 21 23.593 12.133 0.220 1.00 9.35 H +ATOM 354 HD1 TYR A 21 22.396 13.821 3.302 1.00 11.00 H +ATOM 355 HD2 TYR A 21 21.487 11.347 -0.072 1.00 10.53 H +ATOM 356 HE1 TYR A 21 19.977 14.203 3.642 1.00 10.87 H +ATOM 357 HE2 TYR A 21 19.073 11.749 0.247 1.00 11.44 H +ATOM 358 DH TYR A 21 17.713 13.930 2.654 1.00 14.85 D +ATOM 359 N PHE A 22 24.953 9.731 0.125 1.00 7.43 N +ATOM 360 CA PHE A 22 25.997 9.344 -0.804 1.00 6.76 C +ATOM 361 C PHE A 22 25.379 9.511 -2.224 1.00 7.20 C +ATOM 362 O PHE A 22 24.147 9.372 -2.366 1.00 7.41 O +ATOM 363 CB PHE A 22 26.543 7.944 -0.689 1.00 6.59 C +ATOM 364 CG PHE A 22 25.670 6.853 -1.112 1.00 7.76 C +ATOM 365 CD1 PHE A 22 25.945 6.167 -2.285 1.00 8.47 C +ATOM 366 CD2 PHE A 22 24.511 6.513 -0.412 1.00 8.78 C +ATOM 367 CE1 PHE A 22 25.147 5.127 -2.683 1.00 9.15 C +ATOM 368 CE2 PHE A 22 23.691 5.457 -0.800 1.00 9.59 C +ATOM 369 CZ PHE A 22 24.024 4.780 -1.963 1.00 9.79 C +ATOM 370 H PHE A 22 24.062 9.484 -0.227 1.00 8.93 H +ATOM 371 HA PHE A 22 26.914 9.910 -0.832 1.00 6.50 H +ATOM 372 HB2 PHE A 22 27.448 8.048 -1.293 1.00 7.09 H +ATOM 373 HB3 PHE A 22 26.675 7.814 0.433 1.00 5.77 H +ATOM 374 HD1 PHE A 22 26.792 6.452 -2.819 1.00 8.71 H +ATOM 375 HD2 PHE A 22 24.305 7.028 0.503 1.00 8.57 H +ATOM 376 HE1 PHE A 22 25.378 4.634 -3.594 1.00 9.13 H +ATOM 377 HE2 PHE A 22 22.866 5.192 -0.228 1.00 9.05 H +ATOM 378 HZ PHE A 22 23.411 3.987 -2.299 1.00 9.64 H +ATOM 379 N TYR A 23 26.248 9.721 -3.224 1.00 8.20 N +ATOM 380 CA TYR A 23 25.779 9.725 -4.634 1.00 7.28 C +ATOM 381 C TYR A 23 25.786 8.322 -5.124 1.00 7.57 C +ATOM 382 O TYR A 23 26.818 7.621 -5.132 1.00 8.16 O +ATOM 383 CB TYR A 23 26.759 10.511 -5.499 1.00 9.85 C +ATOM 384 CG TYR A 23 26.248 10.666 -6.944 1.00 9.96 C +ATOM 385 CD1 TYR A 23 26.914 10.044 -7.987 1.00 10.97 C +ATOM 386 CD2 TYR A 23 25.125 11.475 -7.226 1.00 11.33 C +ATOM 387 CE1 TYR A 23 26.451 10.178 -9.295 1.00 11.27 C +ATOM 388 CE2 TYR A 23 24.587 11.603 -8.518 1.00 11.73 C +ATOM 389 CZ TYR A 23 25.294 10.925 -9.501 1.00 11.91 C +ATOM 390 OH TYR A 23 24.839 11.085 -10.793 1.00 14.10 O +ATOM 391 H TYR A 23 27.210 9.753 -3.004 1.00 7.41 H +ATOM 392 HA TYR A 23 24.818 10.226 -4.744 1.00 8.02 H +ATOM 393 HB2 TYR A 23 26.593 11.519 -5.121 1.00 9.84 H +ATOM 394 HB3 TYR A 23 27.819 10.292 -5.414 1.00 9.27 H +ATOM 395 HD1 TYR A 23 27.785 9.438 -7.850 1.00 10.63 H +ATOM 396 HD2 TYR A 23 24.614 11.894 -6.350 1.00 10.81 H +ATOM 397 HE1 TYR A 23 26.909 9.696 -10.142 1.00 11.58 H +ATOM 398 HE2 TYR A 23 23.716 12.164 -8.754 1.00 11.77 H +ATOM 399 DH TYR A 23 24.638 12.063 -10.743 1.00 14.22 D +ATOM 400 N ASN A 24 24.618 7.831 -5.550 1.00 7.53 N +ATOM 401 CA ASN A 24 24.473 6.511 -6.126 1.00 8.25 C +ATOM 402 C ASN A 24 24.533 6.730 -7.657 1.00 9.26 C +ATOM 403 O ASN A 24 23.605 7.147 -8.338 1.00 9.06 O +ATOM 404 CB ASN A 24 23.099 5.973 -5.764 1.00 9.60 C +ATOM 405 CG ASN A 24 22.895 4.611 -6.330 1.00 10.11 C +ATOM 406 OD1 ASN A 24 23.537 4.204 -7.313 1.00 13.10 O +ATOM 407 ND2 ASN A 24 21.966 3.903 -5.800 1.00 12.51 N +ATOM 408 H ASN A 24 23.768 8.406 -5.560 1.00 7.95 H +ATOM 409 HA ASN A 24 25.252 5.817 -5.749 1.00 7.93 H +ATOM 410 HB2 ASN A 24 23.193 5.827 -4.660 1.00 8.09 H +ATOM 411 HB3 ASN A 24 22.291 6.679 -5.844 1.00 9.60 H +ATOM 412 DD21 ASN A 24 21.767 2.914 -6.106 1.00 12.19 D +ATOM 413 DD22 ASN A 24 21.419 4.231 -5.010 1.00 11.93 D +ATOM 414 N ALA A 25 25.690 6.499 -8.244 1.00 10.90 N +ATOM 415 CA ALA A 25 25.937 6.771 -9.710 1.00 12.18 C +ATOM 416 C ALA A 25 25.108 5.883 -10.665 1.00 11.03 C +ATOM 417 O ALA A 25 24.972 6.315 -11.816 1.00 12.22 O +ATOM 418 CB ALA A 25 27.438 6.846 -9.903 1.00 11.38 C +ATOM 419 D ALA A 25 26.523 6.274 -7.738 1.00 10.47 D +ATOM 420 HA ALA A 25 25.558 7.786 -9.716 1.00 11.28 H +ATOM 421 HB1 ALA A 25 28.036 7.257 -9.107 1.00 12.88 H +ATOM 422 HB2 ALA A 25 27.681 5.764 -9.848 1.00 12.72 H +ATOM 423 HB3 ALA A 25 27.740 7.086 -10.895 1.00 12.70 H +ATOM 424 N LYS A 26 24.672 4.739 -10.226 1.00 10.74 N +ATOM 425 CA LYS A 26 23.844 3.843 -10.944 1.00 13.89 C +ATOM 426 C LYS A 26 22.458 4.414 -11.053 1.00 13.64 C +ATOM 427 O LYS A 26 21.776 4.419 -12.113 1.00 15.07 O +ATOM 428 CB LYS A 26 23.873 2.469 -10.338 1.00 18.92 C +ATOM 429 CG LYS A 26 22.897 1.688 -11.164 1.00 23.44 C +ATOM 430 CD LYS A 26 23.134 0.220 -10.987 1.00 28.41 C +ATOM 431 CE LYS A 26 21.883 -0.282 -11.734 1.00 33.13 C +ATOM 432 NZ LYS A 26 21.699 -1.653 -11.140 1.00 36.26 N +ATOM 433 D LYS A 26 24.811 4.482 -9.301 1.00 12.45 D +ATOM 434 HA LYS A 26 24.244 3.768 -11.951 1.00 13.36 H +ATOM 435 HB2 LYS A 26 24.904 2.072 -10.313 1.00 18.73 H +ATOM 436 HB3 LYS A 26 23.584 2.461 -9.286 1.00 18.71 H +ATOM 437 HG2 LYS A 26 21.821 1.865 -11.054 1.00 23.71 H +ATOM 438 HG3 LYS A 26 23.032 1.822 -12.264 1.00 23.90 H +ATOM 439 HD2 LYS A 26 23.995 -0.194 -11.474 1.00 28.42 H +ATOM 440 HD3 LYS A 26 23.120 -0.106 -9.964 1.00 28.28 H +ATOM 441 HE2 LYS A 26 21.046 0.350 -11.524 1.00 32.48 H +ATOM 442 HE3 LYS A 26 22.160 -0.402 -12.753 1.00 32.27 H +ATOM 443 DZ1 LYS A 26 21.593 -1.586 -10.094 1.00 36.90 D +ATOM 444 DZ2 LYS A 26 20.761 -1.979 -11.479 1.00 37.12 D +ATOM 445 DZ3 LYS A 26 22.527 -2.262 -11.359 1.00 36.55 D +ATOM 446 N ALA A 27 21.931 5.074 -10.038 1.00 13.18 N +ATOM 447 CA ALA A 27 20.576 5.701 -10.043 1.00 11.76 C +ATOM 448 C ALA A 27 20.606 7.178 -10.432 1.00 10.74 C +ATOM 449 O ALA A 27 19.595 7.768 -10.820 1.00 11.30 O +ATOM 450 CB ALA A 27 20.054 5.625 -8.612 1.00 12.78 C +ATOM 451 D ALA A 27 22.488 5.076 -9.180 1.00 15.23 D +ATOM 452 HA ALA A 27 20.090 5.015 -10.727 1.00 12.71 H +ATOM 453 HB1 ALA A 27 20.772 6.088 -7.962 1.00 11.38 H +ATOM 454 HB2 ALA A 27 19.100 6.124 -8.555 1.00 11.24 H +ATOM 455 HB3 ALA A 27 20.011 4.596 -8.261 1.00 11.11 H +ATOM 456 N GLY A 28 21.752 7.848 -10.373 1.00 9.60 N +ATOM 457 CA GLY A 28 21.970 9.249 -10.618 1.00 10.58 C +ATOM 458 C GLY A 28 21.292 10.175 -9.591 1.00 11.69 C +ATOM 459 O GLY A 28 20.947 11.316 -9.904 1.00 12.66 O +ATOM 460 D GLY A 28 22.531 7.298 -10.049 1.00 11.71 D +ATOM 461 HA2 GLY A 28 22.992 9.579 -10.730 1.00 10.85 H +ATOM 462 HA3 GLY A 28 21.483 9.541 -11.578 1.00 10.66 H +ATOM 463 N LEU A 29 21.201 9.723 -8.370 1.00 11.42 N +ATOM 464 CA LEU A 29 20.589 10.458 -7.271 1.00 13.44 C +ATOM 465 C LEU A 29 21.437 10.194 -6.009 1.00 10.49 C +ATOM 466 O LEU A 29 22.077 9.168 -5.914 1.00 11.18 O +ATOM 467 CB LEU A 29 19.233 9.682 -6.932 1.00 15.84 C +ATOM 468 CG LEU A 29 18.126 9.639 -7.924 1.00 17.24 C +ATOM 469 CD1 LEU A 29 16.897 8.857 -7.584 1.00 18.29 C +ATOM 470 CD2 LEU A 29 17.548 11.015 -8.232 1.00 18.39 C +ATOM 471 D LEU A 29 21.510 8.788 -8.071 1.00 11.84 D +ATOM 472 HA LEU A 29 20.311 11.468 -7.252 1.00 13.35 H +ATOM 473 HB2 LEU A 29 19.436 8.685 -6.548 1.00 15.95 H +ATOM 474 HB3 LEU A 29 18.858 10.134 -5.977 1.00 15.40 H +ATOM 475 HG LEU A 29 18.531 9.305 -8.886 1.00 17.16 H +ATOM 476 HD11 LEU A 29 16.985 7.826 -7.316 1.00 17.17 H +ATOM 477 HD12 LEU A 29 16.567 9.316 -6.642 1.00 17.13 H +ATOM 478 HD13 LEU A 29 16.204 9.016 -8.386 1.00 17.35 H +ATOM 479 HD21 LEU A 29 18.381 11.675 -8.464 1.00 17.08 H +ATOM 480 HD22 LEU A 29 16.837 10.957 -9.047 1.00 17.51 H +ATOM 481 HD23 LEU A 29 17.112 11.417 -7.289 1.00 16.97 H +ATOM 482 N CYS A 30 21.289 11.133 -5.121 1.00 10.45 N +ATOM 483 CA CYS A 30 21.875 11.033 -3.734 1.00 10.30 C +ATOM 484 C CYS A 30 20.869 10.289 -2.850 1.00 10.76 C +ATOM 485 O CYS A 30 19.639 10.651 -2.961 1.00 12.39 O +ATOM 486 CB CYS A 30 22.103 12.439 -3.217 1.00 10.60 C +ATOM 487 SG CYS A 30 23.486 13.149 -4.087 1.00 11.79 S +ATOM 488 D CYS A 30 20.752 11.960 -5.175 1.00 11.99 D +ATOM 489 HA CYS A 30 22.835 10.632 -3.940 1.00 10.70 H +ATOM 490 HB2 CYS A 30 21.141 12.922 -3.348 1.00 11.15 H +ATOM 491 HB3 CYS A 30 22.434 12.440 -2.188 1.00 10.30 H +ATOM 492 N GLN A 31 21.336 9.324 -2.086 1.00 8.79 N +ATOM 493 CA GLN A 31 20.508 8.474 -1.259 1.00 10.62 C +ATOM 494 C GLN A 31 21.184 8.402 0.118 1.00 10.68 C +ATOM 495 O GLN A 31 22.328 8.784 0.291 1.00 10.44 O +ATOM 496 CB GLN A 31 20.354 7.087 -1.858 1.00 11.67 C +ATOM 497 CG GLN A 31 19.623 7.119 -3.183 1.00 13.65 C +ATOM 498 CD GLN A 31 19.594 5.767 -3.853 1.00 14.34 C +ATOM 499 OE1 GLN A 31 20.395 4.867 -3.653 1.00 15.59 O +ATOM 500 NE2 GLN A 31 18.531 5.618 -4.678 1.00 18.68 N +ATOM 501 H GLN A 31 22.343 9.128 -2.125 1.00 11.77 H +ATOM 502 HA GLN A 31 19.517 8.874 -1.128 1.00 10.53 H +ATOM 503 HB2 GLN A 31 21.356 6.648 -2.002 1.00 13.07 H +ATOM 504 HB3 GLN A 31 19.931 6.372 -1.113 1.00 11.96 H +ATOM 505 HG2 GLN A 31 18.690 7.661 -3.311 1.00 12.84 H +ATOM 506 HG3 GLN A 31 20.219 7.714 -3.916 1.00 11.88 H +ATOM 507 DE21 GLN A 31 18.411 4.689 -5.135 1.00 15.66 D +ATOM 508 DE22 GLN A 31 17.891 6.434 -4.778 1.00 15.36 D +ATOM 509 N THR A 32 20.404 7.934 1.103 1.00 11.66 N +ATOM 510 CA THR A 32 20.941 7.836 2.490 1.00 11.14 C +ATOM 511 C THR A 32 21.590 6.489 2.656 1.00 10.29 C +ATOM 512 O THR A 32 21.401 5.428 2.076 1.00 11.74 O +ATOM 513 CB THR A 32 19.849 8.116 3.568 1.00 11.90 C +ATOM 514 OG1 THR A 32 18.807 7.216 3.348 1.00 14.39 O +ATOM 515 CG2 THR A 32 19.240 9.473 3.369 1.00 13.60 C +ATOM 516 D THR A 32 19.456 7.621 0.938 1.00 10.82 D +ATOM 517 HA THR A 32 21.592 8.681 2.741 1.00 11.72 H +ATOM 518 HB THR A 32 20.326 8.080 4.568 1.00 13.24 H +ATOM 519 DG1 THR A 32 19.288 6.347 3.409 1.00 15.34 D +ATOM 520 HG21 THR A 32 18.775 9.734 2.409 1.00 12.24 H +ATOM 521 HG22 THR A 32 18.605 9.634 4.256 1.00 12.28 H +ATOM 522 HG23 THR A 32 19.988 10.264 3.585 1.00 13.01 H +ATOM 523 N PHE A 33 22.506 6.456 3.619 1.00 9.22 N +ATOM 524 CA PHE A 33 23.207 5.275 4.060 1.00 9.74 C +ATOM 525 C PHE A 33 23.550 5.541 5.559 1.00 9.40 C +ATOM 526 O PHE A 33 23.556 6.640 6.034 1.00 10.22 O +ATOM 527 CB PHE A 33 24.434 4.964 3.270 1.00 9.26 C +ATOM 528 CG PHE A 33 25.710 5.682 3.555 1.00 9.20 C +ATOM 529 CD1 PHE A 33 26.781 5.095 4.224 1.00 10.68 C +ATOM 530 CD2 PHE A 33 25.843 6.975 3.069 1.00 10.04 C +ATOM 531 CE1 PHE A 33 27.946 5.766 4.445 1.00 8.91 C +ATOM 532 CE2 PHE A 33 27.014 7.710 3.271 1.00 10.37 C +ATOM 533 CZ PHE A 33 28.008 7.053 3.984 1.00 9.71 C +ATOM 534 H PHE A 33 22.695 7.266 4.199 1.00 11.07 H +ATOM 535 HA PHE A 33 22.613 4.388 3.918 1.00 9.08 H +ATOM 536 HB2 PHE A 33 24.660 3.891 3.281 1.00 8.91 H +ATOM 537 HB3 PHE A 33 24.191 5.223 2.224 1.00 10.11 H +ATOM 538 HD1 PHE A 33 26.642 4.136 4.599 1.00 10.02 H +ATOM 539 HD2 PHE A 33 25.041 7.396 2.488 1.00 10.10 H +ATOM 540 HE1 PHE A 33 28.767 5.394 5.011 1.00 10.09 H +ATOM 541 HE2 PHE A 33 27.164 8.641 2.902 1.00 9.74 H +ATOM 542 HZ PHE A 33 28.943 7.600 4.146 1.00 9.76 H +ATOM 543 N VAL A 34 23.923 4.477 6.205 1.00 11.69 N +ATOM 544 CA VAL A 34 24.349 4.496 7.646 1.00 11.33 C +ATOM 545 C VAL A 34 25.894 4.524 7.711 1.00 10.54 C +ATOM 546 O VAL A 34 26.638 3.625 7.263 1.00 11.75 O +ATOM 547 CB VAL A 34 23.771 3.242 8.364 1.00 13.85 C +ATOM 548 CG1 VAL A 34 24.190 3.382 9.822 1.00 15.43 C +ATOM 549 CG2 VAL A 34 22.264 3.291 8.258 1.00 14.03 C +ATOM 550 D VAL A 34 23.874 3.555 5.766 1.00 10.86 D +ATOM 551 HA VAL A 34 23.896 5.373 8.063 1.00 13.01 H +ATOM 552 HB VAL A 34 24.145 2.394 7.767 1.00 14.28 H +ATOM 553 HG11 VAL A 34 25.215 3.495 10.080 1.00 14.34 H +ATOM 554 HG12 VAL A 34 23.715 4.342 10.087 1.00 14.17 H +ATOM 555 HG13 VAL A 34 23.671 2.771 10.508 1.00 14.55 H +ATOM 556 HG21 VAL A 34 21.923 3.399 7.220 1.00 13.82 H +ATOM 557 HG22 VAL A 34 21.859 2.299 8.478 1.00 13.92 H +ATOM 558 HG23 VAL A 34 21.693 4.035 8.788 1.00 14.12 H +ATOM 559 N TYR A 35 26.387 5.631 8.231 1.00 8.67 N +ATOM 560 CA TYR A 35 27.814 5.860 8.458 1.00 8.52 C +ATOM 561 C TYR A 35 28.085 5.455 9.938 1.00 9.39 C +ATOM 562 O TYR A 35 27.356 5.880 10.841 1.00 10.05 O +ATOM 563 CB TYR A 35 28.111 7.355 8.111 1.00 9.40 C +ATOM 564 CG TYR A 35 29.487 7.835 8.503 1.00 9.39 C +ATOM 565 CD1 TYR A 35 30.614 7.095 8.174 1.00 9.35 C +ATOM 566 CD2 TYR A 35 29.613 8.943 9.313 1.00 9.32 C +ATOM 567 CE1 TYR A 35 31.862 7.506 8.619 1.00 9.35 C +ATOM 568 CE2 TYR A 35 30.895 9.387 9.715 1.00 9.94 C +ATOM 569 CZ TYR A 35 31.977 8.641 9.373 1.00 10.13 C +ATOM 570 OH TYR A 35 33.198 9.064 9.803 1.00 11.76 O +ATOM 571 H TYR A 35 25.808 6.359 8.604 1.00 10.82 H +ATOM 572 HA TYR A 35 28.395 5.346 7.704 1.00 8.94 H +ATOM 573 HB2 TYR A 35 28.076 7.240 7.047 1.00 9.25 H +ATOM 574 HB3 TYR A 35 27.271 7.909 8.560 1.00 9.74 H +ATOM 575 HD1 TYR A 35 30.545 6.205 7.538 1.00 9.98 H +ATOM 576 HD2 TYR A 35 28.750 9.553 9.589 1.00 10.16 H +ATOM 577 HE1 TYR A 35 32.771 6.952 8.307 1.00 10.27 H +ATOM 578 HE2 TYR A 35 30.943 10.289 10.353 1.00 9.68 H +ATOM 579 DH TYR A 35 33.644 9.848 9.469 1.00 13.94 D +ATOM 580 N GLY A 36 29.181 4.741 10.152 1.00 9.59 N +ATOM 581 CA GLY A 36 29.544 4.252 11.487 1.00 9.91 C +ATOM 582 C GLY A 36 30.219 5.242 12.389 1.00 9.25 C +ATOM 583 O GLY A 36 30.414 4.897 13.554 1.00 9.95 O +ATOM 584 D GLY A 36 29.796 4.369 9.440 1.00 10.72 D +ATOM 585 HA2 GLY A 36 28.569 4.035 11.938 1.00 9.21 H +ATOM 586 HA3 GLY A 36 29.951 3.244 11.467 1.00 9.63 H +ATOM 587 N GLY A 37 30.587 6.373 11.911 1.00 8.45 N +ATOM 588 CA GLY A 37 31.172 7.377 12.736 1.00 10.39 C +ATOM 589 C GLY A 37 32.637 7.664 12.699 1.00 10.61 C +ATOM 590 O GLY A 37 33.098 8.624 13.380 1.00 13.37 O +ATOM 591 H GLY A 37 30.371 6.645 10.927 1.00 9.53 H +ATOM 592 HA2 GLY A 37 30.644 8.301 12.496 1.00 10.62 H +ATOM 593 HA3 GLY A 37 30.965 7.251 13.816 1.00 9.36 H +ATOM 594 N CYS A 38 33.387 6.871 11.999 1.00 10.95 N +ATOM 595 CA CYS A 38 34.813 7.212 11.868 1.00 11.65 C +ATOM 596 C CYS A 38 35.267 6.763 10.481 1.00 12.05 C +ATOM 597 O CYS A 38 34.729 5.808 9.860 1.00 11.60 O +ATOM 598 CB CYS A 38 35.702 6.466 12.895 1.00 12.40 C +ATOM 599 SG CYS A 38 35.719 4.684 12.827 1.00 12.21 S +ATOM 600 D CYS A 38 33.052 6.073 11.478 1.00 11.38 D +ATOM 601 HA CYS A 38 34.828 8.254 12.105 1.00 12.48 H +ATOM 602 HB2 CYS A 38 36.717 6.782 12.719 1.00 11.84 H +ATOM 603 HB3 CYS A 38 35.376 6.694 13.914 1.00 11.11 H +ATOM 604 N ARG A 39 36.341 7.375 10.042 1.00 12.46 N +ATOM 605 CA ARG A 39 37.025 7.056 8.805 1.00 14.63 C +ATOM 606 C ARG A 39 36.187 7.227 7.520 1.00 12.13 C +ATOM 607 O ARG A 39 36.332 6.391 6.640 1.00 13.93 O +ATOM 608 CB ARG A 39 37.538 5.625 8.866 1.00 18.16 C +ATOM 609 CG ARG A 39 38.516 5.562 10.066 1.00 22.63 C +ATOM 610 CD ARG A 39 39.107 4.166 10.098 1.00 26.10 C +ATOM 611 NE ARG A 39 39.805 4.035 11.371 1.00 30.83 N +ATOM 612 CZ ARG A 39 40.590 3.032 11.775 1.00 32.34 C +ATOM 613 NH1 ARG A 39 40.823 1.964 11.024 1.00 33.18 N +ATOM 614 NH2 ARG A 39 41.144 3.105 12.987 1.00 33.57 N +ATOM 615 D ARG A 39 36.670 8.142 10.540 1.00 12.82 D +ATOM 616 HA ARG A 39 37.858 7.741 8.595 1.00 13.15 H +ATOM 617 HB2 ARG A 39 36.821 4.846 9.058 1.00 18.94 H +ATOM 618 HB3 ARG A 39 38.127 5.322 8.011 1.00 18.72 H +ATOM 619 HG2 ARG A 39 39.277 6.303 10.090 1.00 22.77 H +ATOM 620 HG3 ARG A 39 38.016 5.637 10.981 1.00 22.29 H +ATOM 621 HD2 ARG A 39 38.282 3.473 10.078 1.00 26.48 H +ATOM 622 HD3 ARG A 39 39.633 4.052 9.207 1.00 26.96 H +ATOM 623 DE ARG A 39 39.685 4.801 12.039 1.00 31.59 D +ATOM 624 DH11 ARG A 39 40.376 1.948 10.092 1.00 32.83 D +ATOM 625 DH12 ARG A 39 41.429 1.235 11.413 1.00 32.46 D +ATOM 626 DH21 ARG A 39 41.037 3.833 13.662 1.00 33.14 D +ATOM 627 DH22 ARG A 39 41.738 2.325 13.284 1.00 33.33 D +ATOM 628 N ALA A 40 35.456 8.280 7.530 1.00 11.13 N +ATOM 629 CA ALA A 40 34.631 8.632 6.385 1.00 12.22 C +ATOM 630 C ALA A 40 35.497 8.734 5.135 1.00 13.37 C +ATOM 631 O ALA A 40 36.687 9.115 5.137 1.00 14.12 O +ATOM 632 CB ALA A 40 33.941 9.981 6.542 1.00 11.96 C +ATOM 633 D ALA A 40 35.340 8.972 8.208 1.00 12.73 D +ATOM 634 HA ALA A 40 33.879 7.870 6.308 1.00 12.14 H +ATOM 635 HB1 ALA A 40 34.528 10.829 6.846 1.00 12.60 H +ATOM 636 HB2 ALA A 40 33.456 10.198 5.563 1.00 12.13 H +ATOM 637 HB3 ALA A 40 33.155 9.774 7.271 1.00 11.94 H +ATOM 638 N LYS A 41 34.889 8.428 4.019 1.00 12.73 N +ATOM 639 CA LYS A 41 35.456 8.549 2.638 1.00 12.34 C +ATOM 640 C LYS A 41 34.782 9.775 2.026 1.00 11.42 C +ATOM 641 O LYS A 41 33.938 10.501 2.638 1.00 12.35 O +ATOM 642 CB LYS A 41 35.426 7.283 1.843 1.00 15.66 C +ATOM 643 CG LYS A 41 36.330 6.177 2.314 1.00 17.23 C +ATOM 644 CD LYS A 41 36.220 4.925 1.492 1.00 21.83 C +ATOM 645 CE LYS A 41 36.972 3.830 2.249 1.00 24.86 C +ATOM 646 NZ LYS A 41 38.430 4.086 2.238 1.00 26.80 N +ATOM 647 D LYS A 41 33.904 8.208 4.062 1.00 14.44 D +ATOM 648 HA LYS A 41 36.456 8.823 2.962 1.00 13.22 H +ATOM 649 HB2 LYS A 41 34.348 7.148 1.817 1.00 14.20 H +ATOM 650 HB3 LYS A 41 35.594 7.443 0.755 1.00 14.27 H +ATOM 651 HG2 LYS A 41 37.409 6.485 2.376 1.00 18.75 H +ATOM 652 HG3 LYS A 41 36.049 5.955 3.369 1.00 17.95 H +ATOM 653 HD2 LYS A 41 35.216 4.451 1.494 1.00 20.99 H +ATOM 654 HD3 LYS A 41 36.531 4.849 0.453 1.00 21.24 H +ATOM 655 HE2 LYS A 41 36.740 3.973 3.315 1.00 24.44 H +ATOM 656 HE3 LYS A 41 36.742 2.821 1.974 1.00 24.67 H +ATOM 657 DZ1 LYS A 41 38.697 5.072 2.091 1.00 27.28 D +ATOM 658 DZ2 LYS A 41 38.774 3.778 3.195 1.00 28.13 D +ATOM 659 DZ3 LYS A 41 38.960 3.393 1.688 1.00 27.94 D +ATOM 660 N ARG A 42 35.115 10.128 0.777 1.00 9.56 N +ATOM 661 CA ARG A 42 34.659 11.372 0.167 1.00 9.93 C +ATOM 662 C ARG A 42 33.178 11.332 -0.259 1.00 7.40 C +ATOM 663 O ARG A 42 32.599 12.401 -0.162 1.00 9.71 O +ATOM 664 CB ARG A 42 35.554 11.797 -0.960 1.00 10.35 C +ATOM 665 CG ARG A 42 36.918 12.265 -0.568 1.00 13.91 C +ATOM 666 CD ARG A 42 37.957 12.565 -1.588 1.00 15.78 C +ATOM 667 NE ARG A 42 38.393 11.235 -1.972 1.00 21.96 N +ATOM 668 CZ ARG A 42 39.092 10.993 -3.114 1.00 24.68 C +ATOM 669 NH1 ARG A 42 39.486 11.979 -3.942 1.00 25.19 N +ATOM 670 NH2 ARG A 42 39.446 9.734 -3.428 1.00 26.22 N +ATOM 671 D ARG A 42 35.813 9.575 0.318 1.00 11.76 D +ATOM 672 HA ARG A 42 34.712 12.168 0.950 1.00 8.89 H +ATOM 673 HB2 ARG A 42 35.629 10.967 -1.690 1.00 11.16 H +ATOM 674 HB3 ARG A 42 35.017 12.458 -1.640 1.00 11.51 H +ATOM 675 HG2 ARG A 42 36.981 13.025 0.221 1.00 12.33 H +ATOM 676 HG3 ARG A 42 37.355 11.538 0.099 1.00 11.94 H +ATOM 677 HD2 ARG A 42 37.373 13.009 -2.423 1.00 17.32 H +ATOM 678 HD3 ARG A 42 38.645 13.283 -1.256 1.00 17.71 H +ATOM 679 DE ARG A 42 38.164 10.450 -1.415 1.00 22.92 D +ATOM 680 DH11 ARG A 42 40.007 11.665 -4.784 1.00 24.97 D +ATOM 681 DH12 ARG A 42 39.258 12.965 -3.814 1.00 24.43 D +ATOM 682 DH21 ARG A 42 39.244 8.893 -2.906 1.00 25.17 D +ATOM 683 DH22 ARG A 42 39.963 9.580 -4.300 1.00 25.13 D +ATOM 684 N ASN A 43 32.662 10.208 -0.618 1.00 7.80 N +ATOM 685 CA ASN A 43 31.235 10.157 -1.075 1.00 7.75 C +ATOM 686 C ASN A 43 30.363 9.898 0.175 1.00 7.34 C +ATOM 687 O ASN A 43 29.830 8.807 0.431 1.00 7.64 O +ATOM 688 CB ASN A 43 31.158 9.006 -2.072 1.00 8.94 C +ATOM 689 CG ASN A 43 29.799 9.033 -2.770 1.00 8.97 C +ATOM 690 OD1 ASN A 43 29.002 9.968 -2.653 1.00 9.17 O +ATOM 691 ND2 ASN A 43 29.533 8.007 -3.503 1.00 10.14 N +ATOM 692 D ASN A 43 33.214 9.377 -0.662 1.00 8.50 D +ATOM 693 HA ASN A 43 31.097 11.126 -1.506 1.00 9.50 H +ATOM 694 HB2 ASN A 43 31.986 9.096 -2.796 1.00 7.95 H +ATOM 695 HB3 ASN A 43 31.442 8.069 -1.533 1.00 8.39 H +ATOM 696 DD21 ASN A 43 30.286 7.249 -3.480 1.00 13.15 D +ATOM 697 DD22 ASN A 43 28.694 7.778 -4.043 1.00 12.66 D +ATOM 698 N ASN A 44 30.329 10.926 0.929 1.00 7.27 N +ATOM 699 CA ASN A 44 29.680 10.998 2.281 1.00 8.28 C +ATOM 700 C ASN A 44 29.441 12.481 2.513 1.00 7.79 C +ATOM 701 O ASN A 44 30.374 13.253 2.640 1.00 9.89 O +ATOM 702 CB ASN A 44 30.579 10.298 3.287 1.00 9.05 C +ATOM 703 CG ASN A 44 30.097 10.342 4.770 1.00 10.15 C +ATOM 704 OD1 ASN A 44 29.353 11.223 5.157 1.00 11.10 O +ATOM 705 ND2 ASN A 44 30.593 9.396 5.525 1.00 10.18 N +ATOM 706 D ASN A 44 30.784 11.813 0.848 1.00 8.27 D +ATOM 707 HA ASN A 44 28.831 10.413 2.219 1.00 7.51 H +ATOM 708 HB2 ASN A 44 30.842 9.286 3.128 1.00 10.20 H +ATOM 709 HB3 ASN A 44 31.523 10.823 3.352 1.00 9.86 H +ATOM 710 DD21 ASN A 44 30.296 9.403 6.524 1.00 11.65 D +ATOM 711 DD22 ASN A 44 31.216 8.687 5.150 1.00 9.99 D +ATOM 712 N PHE A 45 28.153 12.815 2.580 1.00 7.78 N +ATOM 713 CA PHE A 45 27.732 14.188 2.696 1.00 9.51 C +ATOM 714 C PHE A 45 26.649 14.315 3.805 1.00 10.10 C +ATOM 715 O PHE A 45 25.856 13.419 4.021 1.00 9.63 O +ATOM 716 CB PHE A 45 27.054 14.595 1.345 1.00 11.02 C +ATOM 717 CG PHE A 45 27.916 14.462 0.140 1.00 10.38 C +ATOM 718 CD1 PHE A 45 27.953 13.294 -0.602 1.00 11.42 C +ATOM 719 CD2 PHE A 45 28.752 15.525 -0.138 1.00 11.42 C +ATOM 720 CE1 PHE A 45 28.783 13.173 -1.704 1.00 10.82 C +ATOM 721 CE2 PHE A 45 29.615 15.424 -1.250 1.00 11.73 C +ATOM 722 CZ PHE A 45 29.599 14.241 -1.990 1.00 11.68 C +ATOM 723 H PHE A 45 27.398 12.157 2.411 1.00 9.18 H +ATOM 724 HA PHE A 45 28.527 14.889 2.741 1.00 10.24 H +ATOM 725 HB2 PHE A 45 26.350 13.759 1.326 1.00 9.92 H +ATOM 726 HB3 PHE A 45 26.487 15.501 1.444 1.00 10.03 H +ATOM 727 HD1 PHE A 45 27.341 12.513 -0.316 1.00 11.59 H +ATOM 728 HD2 PHE A 45 28.699 16.440 0.415 1.00 11.56 H +ATOM 729 HE1 PHE A 45 28.840 12.308 -2.293 1.00 11.54 H +ATOM 730 HE2 PHE A 45 30.188 16.207 -1.556 1.00 11.41 H +ATOM 731 HZ PHE A 45 30.224 14.157 -2.851 1.00 10.58 H +ATOM 732 N LYS A 46 26.654 15.523 4.326 1.00 13.15 N +ATOM 733 CA LYS A 46 25.670 15.810 5.399 1.00 15.31 C +ATOM 734 C LYS A 46 24.360 16.291 4.876 1.00 14.98 C +ATOM 735 O LYS A 46 23.386 16.226 5.649 1.00 16.56 O +ATOM 736 CB LYS A 46 26.188 16.720 6.512 1.00 17.44 C +ATOM 737 CG LYS A 46 27.318 16.084 7.335 1.00 19.58 C +ATOM 738 CD LYS A 46 27.843 17.081 8.391 1.00 22.85 C +ATOM 739 CE LYS A 46 29.236 16.576 8.669 1.00 24.99 C +ATOM 740 NZ LYS A 46 29.962 17.327 9.705 1.00 27.16 N +ATOM 741 D LYS A 46 27.344 16.221 4.047 1.00 11.41 D +ATOM 742 HA LYS A 46 25.458 14.851 5.822 1.00 14.17 H +ATOM 743 HB2 LYS A 46 26.587 17.609 5.990 1.00 17.47 H +ATOM 744 HB3 LYS A 46 25.404 16.946 7.222 1.00 17.90 H +ATOM 745 HG2 LYS A 46 27.027 15.200 7.891 1.00 20.31 H +ATOM 746 HG3 LYS A 46 28.203 15.916 6.737 1.00 20.28 H +ATOM 747 HD2 LYS A 46 28.122 17.991 7.798 1.00 22.17 H +ATOM 748 HD3 LYS A 46 27.135 17.420 9.101 1.00 22.77 H +ATOM 749 HE2 LYS A 46 29.175 15.510 8.907 1.00 24.93 H +ATOM 750 HE3 LYS A 46 29.805 16.640 7.728 1.00 25.66 H +ATOM 751 DZ1 LYS A 46 29.318 17.242 10.520 1.00 26.85 D +ATOM 752 DZ2 LYS A 46 30.949 17.000 9.856 1.00 27.02 D +ATOM 753 DZ3 LYS A 46 30.127 18.313 9.416 1.00 27.47 D +ATOM 754 N SER A 47 24.337 16.734 3.622 1.00 15.47 N +ATOM 755 CA SER A 47 23.068 17.191 3.061 1.00 15.09 C +ATOM 756 C SER A 47 22.980 16.742 1.594 1.00 14.56 C +ATOM 757 O SER A 47 24.015 16.567 0.916 1.00 13.03 O +ATOM 758 CB SER A 47 22.880 18.711 3.060 1.00 15.63 C +ATOM 759 OG SER A 47 23.822 19.258 2.193 1.00 16.91 O +ATOM 760 D SER A 47 25.180 16.751 3.053 1.00 15.56 D +ATOM 761 HA SER A 47 22.206 16.804 3.574 1.00 15.83 H +ATOM 762 HB2 SER A 47 21.900 18.919 2.598 1.00 16.01 H +ATOM 763 HB3 SER A 47 22.965 19.264 4.004 1.00 15.86 H +ATOM 764 DG SER A 47 24.248 20.035 2.505 1.00 19.57 D +ATOM 765 N ALA A 48 21.747 16.565 1.233 1.00 14.50 N +ATOM 766 CA ALA A 48 21.452 16.202 -0.192 1.00 15.49 C +ATOM 767 C ALA A 48 21.889 17.264 -1.204 1.00 14.13 C +ATOM 768 O ALA A 48 22.320 16.959 -2.338 1.00 13.28 O +ATOM 769 CB ALA A 48 19.991 15.849 -0.356 1.00 16.34 C +ATOM 770 D ALA A 48 20.954 16.674 1.802 1.00 15.14 D +ATOM 771 HA ALA A 48 22.244 15.481 -0.310 1.00 14.31 H +ATOM 772 HB1 ALA A 48 19.319 16.642 -0.038 1.00 15.97 H +ATOM 773 HB2 ALA A 48 19.800 15.524 -1.385 1.00 16.04 H +ATOM 774 HB3 ALA A 48 19.794 14.988 0.281 1.00 16.24 H +ATOM 775 N GLU A 49 21.835 18.530 -0.819 1.00 14.30 N +ATOM 776 CA GLU A 49 22.235 19.620 -1.652 1.00 16.73 C +ATOM 777 C GLU A 49 23.740 19.554 -1.891 1.00 14.46 C +ATOM 778 O GLU A 49 24.137 19.730 -3.053 1.00 14.56 O +ATOM 779 CB GLU A 49 21.766 20.869 -0.865 1.00 21.56 C +ATOM 780 CG GLU A 49 20.367 20.737 -0.179 1.00 26.75 C +ATOM 781 CD GLU A 49 19.919 19.894 0.994 1.00 29.54 C +ATOM 782 OE1 GLU A 49 19.414 18.784 1.212 1.00 32.40 O +ATOM 783 OE2 GLU A 49 19.912 20.253 2.202 1.00 34.26 O +ATOM 784 D GLU A 49 21.514 18.770 0.081 1.00 15.94 D +ATOM 785 HA GLU A 49 21.885 19.789 -2.644 1.00 17.10 H +ATOM 786 HB2 GLU A 49 22.360 20.677 0.079 1.00 21.05 H +ATOM 787 HB3 GLU A 49 22.360 21.702 -1.159 1.00 21.64 H +ATOM 788 HG2 GLU A 49 20.001 21.722 0.047 1.00 26.97 H +ATOM 789 HG3 GLU A 49 19.803 20.281 -0.976 1.00 26.35 H +ATOM 790 N ASP A 50 24.537 19.331 -0.858 1.00 14.10 N +ATOM 791 CA ASP A 50 25.961 19.288 -1.082 1.00 13.93 C +ATOM 792 C ASP A 50 26.280 18.071 -1.961 1.00 11.78 C +ATOM 793 O ASP A 50 27.149 18.165 -2.795 1.00 12.10 O +ATOM 794 CB ASP A 50 26.695 18.778 0.111 1.00 18.61 C +ATOM 795 CG ASP A 50 27.499 19.674 0.972 1.00 25.48 C +ATOM 796 OD1 ASP A 50 26.759 20.572 1.375 1.00 29.01 O +ATOM 797 OD2 ASP A 50 28.655 19.195 1.020 1.00 27.88 O +ATOM 798 D ASP A 50 24.173 19.185 0.045 1.00 14.90 D +ATOM 799 HA ASP A 50 26.388 20.193 -1.435 1.00 14.65 H +ATOM 800 HB2 ASP A 50 26.126 18.142 0.783 1.00 18.57 H +ATOM 801 HB3 ASP A 50 27.390 17.949 -0.167 1.00 19.69 H +ATOM 802 N CYS A 51 25.605 16.956 -1.732 1.00 10.22 N +ATOM 803 CA CYS A 51 25.822 15.753 -2.493 1.00 10.57 C +ATOM 804 C CYS A 51 25.591 15.998 -3.994 1.00 11.23 C +ATOM 805 O CYS A 51 26.397 15.689 -4.871 1.00 11.33 O +ATOM 806 CB CYS A 51 24.941 14.644 -1.926 1.00 9.71 C +ATOM 807 SG CYS A 51 25.055 13.060 -2.815 1.00 10.82 S +ATOM 808 D CYS A 51 24.881 16.926 -1.041 1.00 11.98 D +ATOM 809 HA CYS A 51 26.840 15.447 -2.313 1.00 9.86 H +ATOM 810 HB2 CYS A 51 25.207 14.370 -0.935 1.00 9.50 H +ATOM 811 HB3 CYS A 51 23.907 14.950 -1.834 1.00 10.27 H +ATOM 812 N MET A 52 24.405 16.565 -4.212 1.00 12.19 N +ATOM 813 CA MET A 52 23.975 16.860 -5.592 1.00 15.04 C +ATOM 814 C MET A 52 24.865 17.909 -6.259 1.00 15.23 C +ATOM 815 O MET A 52 25.254 17.714 -7.432 1.00 16.42 O +ATOM 816 CB MET A 52 22.481 17.237 -5.692 1.00 16.60 C +ATOM 817 CG AMET A 52 21.619 16.002 -5.527 0.50 16.58 C +ATOM 818 CG BMET A 52 21.536 16.149 -5.278 0.50 19.07 C +ATOM 819 SD AMET A 52 21.684 14.673 -6.752 0.50 17.21 S +ATOM 820 SD BMET A 52 19.845 16.563 -5.694 0.50 21.60 S +ATOM 821 CE AMET A 52 20.896 15.481 -8.152 0.50 17.25 C +ATOM 822 CE BMET A 52 19.639 18.241 -5.038 0.50 20.98 C +ATOM 823 D MET A 52 23.741 16.776 -3.521 1.00 11.71 D +ATOM 824 HA MET A 52 24.027 15.986 -6.232 1.00 14.64 H +ATOM 825 HB2 MET A 52 22.275 18.123 -5.117 1.00 16.08 H +ATOM 826 HB3 MET A 52 22.460 17.461 -6.770 1.00 15.52 H +ATOM 827 HG2AMET A 52 22.023 15.418 -4.676 0.50 16.82 H +ATOM 828 HG2BMET A 52 21.648 15.214 -5.841 0.50 19.25 H +ATOM 829 HG3AMET A 52 20.574 16.201 -5.322 0.50 16.79 H +ATOM 830 HG3BMET A 52 21.552 15.928 -4.213 0.50 19.04 H +ATOM 831 HE1AMET A 52 21.506 16.358 -8.341 0.50 17.36 H +ATOM 832 HE1BMET A 52 20.257 18.263 -4.174 0.50 20.84 H +ATOM 833 HE2AMET A 52 21.243 14.908 -9.046 0.50 16.78 H +ATOM 834 HE2BMET A 52 20.012 18.845 -5.860 0.50 20.71 H +ATOM 835 HE3AMET A 52 19.853 15.441 -8.108 0.50 17.36 H +ATOM 836 HE3BMET A 52 18.576 18.325 -4.893 0.50 20.87 H +ATOM 837 N ARG A 53 25.206 18.931 -5.556 1.00 17.25 N +ATOM 838 CA ARG A 53 26.111 19.970 -6.044 1.00 19.58 C +ATOM 839 C ARG A 53 27.493 19.419 -6.400 1.00 19.14 C +ATOM 840 O ARG A 53 28.105 19.894 -7.379 1.00 18.79 O +ATOM 841 CB ARG A 53 26.365 20.989 -4.925 1.00 21.70 C +ATOM 842 CG ARG A 53 27.106 22.225 -5.375 1.00 24.59 C +ATOM 843 CD ARG A 53 26.494 23.431 -4.716 1.00 26.49 C +ATOM 844 NE ARG A 53 26.503 23.143 -3.308 1.00 30.03 N +ATOM 845 CZ ARG A 53 25.536 23.635 -2.543 1.00 30.47 C +ATOM 846 NH1 ARG A 53 24.554 24.368 -3.034 1.00 31.82 N +ATOM 847 NH2 ARG A 53 25.533 23.348 -1.271 1.00 30.70 N +ATOM 848 D ARG A 53 24.877 19.095 -4.635 1.00 17.26 D +ATOM 849 HA ARG A 53 25.631 20.419 -6.896 1.00 19.36 H +ATOM 850 HB2 ARG A 53 25.336 21.264 -4.675 1.00 21.99 H +ATOM 851 HB3 ARG A 53 26.827 20.450 -4.106 1.00 22.43 H +ATOM 852 HG2 ARG A 53 28.119 22.368 -5.525 1.00 24.05 H +ATOM 853 HG3 ARG A 53 26.672 22.362 -6.390 1.00 23.86 H +ATOM 854 HD2 ARG A 53 27.053 24.242 -5.072 1.00 27.41 H +ATOM 855 HD3 ARG A 53 25.499 23.574 -5.080 1.00 27.53 H +ATOM 856 DE ARG A 53 27.225 22.565 -2.844 1.00 30.30 D +ATOM 857 DH11 ARG A 53 23.854 24.661 -2.321 1.00 30.67 D +ATOM 858 DH12 ARG A 53 24.517 24.609 -4.036 1.00 30.96 D +ATOM 859 DH21 ARG A 53 26.264 22.781 -0.865 1.00 31.15 D +ATOM 860 DH22 ARG A 53 24.762 23.749 -0.724 1.00 31.05 D +ATOM 861 N THR A 54 28.014 18.446 -5.647 1.00 16.27 N +ATOM 862 CA THR A 54 29.317 17.889 -5.933 1.00 15.50 C +ATOM 863 C THR A 54 29.360 16.811 -7.019 1.00 14.44 C +ATOM 864 O THR A 54 30.323 16.753 -7.836 1.00 14.74 O +ATOM 865 CB THR A 54 29.884 17.308 -4.599 1.00 16.69 C +ATOM 866 OG1 THR A 54 29.915 18.356 -3.628 1.00 17.09 O +ATOM 867 CG2 THR A 54 31.252 16.617 -4.794 1.00 16.12 C +ATOM 868 D THR A 54 27.440 18.111 -4.892 1.00 18.36 D +ATOM 869 HA THR A 54 30.069 18.613 -6.258 1.00 15.14 H +ATOM 870 HB THR A 54 29.173 16.550 -4.194 1.00 16.74 H +ATOM 871 DG1 THR A 54 29.012 18.597 -3.318 1.00 16.70 D +ATOM 872 HG21 THR A 54 31.801 17.152 -5.610 1.00 17.37 H +ATOM 873 HG22 THR A 54 31.759 16.514 -3.853 1.00 17.09 H +ATOM 874 HG23 THR A 54 31.026 15.693 -5.309 1.00 17.52 H +ATOM 875 N CYS A 55 28.364 15.919 -6.980 1.00 12.64 N +ATOM 876 CA CYS A 55 28.337 14.779 -7.839 1.00 14.57 C +ATOM 877 C CYS A 55 27.258 14.663 -8.899 1.00 16.68 C +ATOM 878 O CYS A 55 27.484 13.831 -9.733 1.00 17.00 O +ATOM 879 CB CYS A 55 28.265 13.520 -6.968 1.00 13.88 C +ATOM 880 SG CYS A 55 29.664 13.161 -5.893 1.00 13.03 S +ATOM 881 D CYS A 55 27.614 15.974 -6.323 1.00 14.99 D +ATOM 882 HA CYS A 55 29.253 14.775 -8.417 1.00 14.34 H +ATOM 883 HB2 CYS A 55 27.388 13.519 -6.349 1.00 13.38 H +ATOM 884 HB3 CYS A 55 28.059 12.720 -7.695 1.00 13.88 H +ATOM 885 N GLY A 56 26.248 15.435 -8.766 1.00 22.23 N +ATOM 886 CA GLY A 56 25.221 15.180 -9.791 1.00 26.06 C +ATOM 887 C GLY A 56 25.286 15.905 -11.139 1.00 29.57 C +ATOM 888 O GLY A 56 26.220 16.540 -11.584 1.00 31.26 O +ATOM 889 D GLY A 56 26.124 16.072 -8.024 1.00 18.76 D +ATOM 890 HA2 GLY A 56 25.526 14.160 -10.093 1.00 25.90 H +ATOM 891 HA3 GLY A 56 24.206 15.027 -9.457 1.00 26.16 H +ATOM 892 N GLY A 57 24.141 15.735 -11.766 1.00 36.75 N +ATOM 893 CA GLY A 57 23.532 16.179 -13.038 1.00 40.04 C +ATOM 894 C GLY A 57 21.982 15.948 -12.990 1.00 43.19 C +ATOM 895 O GLY A 57 21.139 16.112 -12.036 1.00 44.36 O +ATOM 896 D GLY A 57 23.416 15.164 -11.269 1.00 32.31 D +ATOM 897 HA2 GLY A 57 23.651 17.180 -13.336 1.00 40.07 H +ATOM 898 HA3 GLY A 57 23.890 15.539 -13.849 1.00 40.01 H +ATOM 899 N ALA A 58 21.533 15.450 -14.175 1.00 46.32 N +ATOM 900 CA ALA A 58 20.058 15.148 -14.143 1.00 46.11 C +ATOM 901 C ALA A 58 20.005 13.727 -14.727 1.00 47.14 C +ATOM 902 O ALA A 58 20.352 13.531 -15.922 1.00 47.19 O +ATOM 903 CB ALA A 58 19.337 16.385 -14.585 1.00 45.68 C +ATOM 904 OXT ALA A 58 19.665 12.821 -13.923 1.00 48.98 O +ATOM 905 D ALA A 58 22.084 15.237 -14.992 1.00 44.06 D +ATOM 906 HA ALA A 58 19.960 14.987 -13.050 1.00 46.35 H +ATOM 907 HB1 ALA A 58 19.978 17.245 -14.640 1.00 46.47 H +ATOM 908 HB2 ALA A 58 18.939 16.200 -15.586 1.00 46.26 H +ATOM 909 HB3 ALA A 58 18.454 16.576 -13.973 1.00 46.28 H +TER 910 ALA A 58 +HETATM 911 P PO4 A 70 32.672 12.772 10.325 0.65 25.52 P +HETATM 912 O1 PO4 A 70 33.530 14.005 10.556 0.65 26.69 O +HETATM 913 O2 PO4 A 70 31.499 12.810 11.272 0.65 25.31 O +HETATM 914 O3 PO4 A 70 32.136 12.729 8.909 0.65 24.51 O +HETATM 915 O4 PO4 A 70 33.561 11.570 10.555 0.65 23.64 O +HETATM 916 UNK UNX A 324 23.599 13.195 -7.043 1.00 45.42 X +HETATM 917 O DOD A 80 23.194 15.839 8.222 0.40 22.37 O +HETATM 918 D1 DOD A 80 23.286 16.842 8.165 0.40 22.61 D +HETATM 919 D2 DOD A 80 24.153 15.561 8.326 0.40 22.60 D +HETATM 920 O DOD A 101 22.510 21.082 -4.729 1.00 36.16 O +HETATM 921 D1 DOD A 101 21.831 21.235 -5.370 1.00 35.79 D +HETATM 922 D2 DOD A 101 23.104 20.367 -4.949 1.00 35.47 D +HETATM 923 O DOD A 102 32.400 2.989 17.428 0.80 18.44 O +HETATM 924 D1 DOD A 102 33.257 2.902 16.959 0.80 19.80 D +HETATM 925 D2 DOD A 102 32.345 2.270 18.071 0.80 19.39 D +HETATM 926 O DOD A 105 32.325 18.662 -7.849 1.00 32.19 O +HETATM 927 D1 DOD A 105 31.835 17.834 -8.008 1.00 30.47 D +HETATM 928 D2 DOD A 105 31.833 19.268 -8.402 1.00 30.09 D +HETATM 929 O DOD A 110 37.328 8.721 -0.765 0.85 24.80 O +HETATM 930 D1 DOD A 110 37.884 7.962 -0.994 0.85 28.72 D +HETATM 931 D2 DOD A 110 36.474 8.348 -1.051 0.85 28.38 D +HETATM 932 O DOD A 111 32.894 6.077 -0.473 1.00 17.11 O +HETATM 933 D1 DOD A 111 33.120 6.673 -1.189 1.00 17.18 D +HETATM 934 D2 DOD A 111 32.082 5.642 -0.714 1.00 18.37 D +HETATM 935 O DOD A 112 31.242 6.845 1.776 1.00 12.53 O +HETATM 936 D1 DOD A 112 31.797 6.338 1.211 1.00 12.31 D +HETATM 937 D2 DOD A 112 30.886 7.631 1.374 1.00 11.82 D +HETATM 938 O DOD A 113 32.081 7.266 4.248 1.00 10.62 O +HETATM 939 D1 DOD A 113 31.885 7.136 3.273 1.00 10.81 D +HETATM 940 D2 DOD A 113 31.780 6.400 4.490 1.00 10.32 D +HETATM 941 O DOD A 116 21.627 2.820 1.964 0.45 18.18 O +HETATM 942 D1 DOD A 116 22.311 2.168 1.795 0.45 15.16 D +HETATM 943 D2 DOD A 116 21.898 3.682 1.661 0.45 13.72 D +HETATM 944 O DOD A 117 23.450 1.914 4.826 0.85 21.21 O +HETATM 945 D1 DOD A 117 24.325 1.628 5.014 0.85 18.34 D +HETATM 946 D2 DOD A 117 22.978 2.382 5.498 0.85 16.27 D +HETATM 947 O DOD A 119 24.933 8.699 -12.566 1.00 26.51 O +HETATM 948 D1 DOD A 119 25.519 9.416 -12.334 1.00 24.40 D +HETATM 949 D2 DOD A 119 25.041 7.808 -12.205 1.00 23.04 D +HETATM 950 O DOD A 121 27.178 1.079 11.930 1.00 44.15 O +HETATM 951 D1 DOD A 121 27.529 1.514 12.731 1.00 41.94 D +HETATM 952 D2 DOD A 121 27.890 1.374 11.346 1.00 42.42 D +HETATM 953 O DOD A 122 32.824 4.006 10.705 1.00 11.08 O +HETATM 954 D1 DOD A 122 32.037 4.312 10.212 1.00 14.93 D +HETATM 955 D2 DOD A 122 33.527 4.614 10.375 1.00 12.63 D +HETATM 956 O DOD A 125 23.228 10.145 14.693 1.00 37.43 O +HETATM 957 D1 DOD A 125 23.474 11.090 14.612 1.00 38.73 D +HETATM 958 D2 DOD A 125 23.557 9.618 15.413 1.00 38.14 D +HETATM 959 O DOD A 126 21.709 13.163 -11.285 1.00 45.53 O +HETATM 960 D1 DOD A 126 21.371 12.655 -10.542 1.00 40.21 D +HETATM 961 D2 DOD A 126 22.643 12.914 -11.319 1.00 40.01 D +HETATM 962 O DOD A 127 25.304 13.841 10.064 1.00 31.39 O +HETATM 963 D1 DOD A 127 24.713 13.795 9.294 1.00 29.74 D +HETATM 964 D2 DOD A 127 24.901 13.162 10.650 1.00 30.13 D +HETATM 965 O DOD A 129 21.978 10.502 12.070 1.00 22.99 O +HETATM 966 D1 DOD A 129 21.026 10.401 12.238 1.00 21.72 D +HETATM 967 D2 DOD A 129 22.220 11.424 12.257 1.00 22.25 D +HETATM 968 O DOD A 133 37.476 9.724 11.502 0.75 22.01 O +HETATM 969 D1 DOD A 133 37.584 9.982 12.425 0.75 19.51 D +HETATM 970 D2 DOD A 133 36.539 9.976 11.345 0.75 19.51 D +HETATM 971 O DOD A 134 34.490 11.060 -13.079 0.70 44.32 O +HETATM 972 D1 DOD A 134 34.746 11.987 -12.978 0.70 42.77 D +HETATM 973 D2 DOD A 134 33.653 10.980 -12.612 0.70 42.52 D +HETATM 974 O DOD A 138 28.177 17.517 3.360 1.00 25.45 O +HETATM 975 D1 DOD A 138 27.742 18.283 3.058 1.00 23.32 D +HETATM 976 D2 DOD A 138 29.101 17.401 3.251 1.00 23.72 D +HETATM 977 O DOD A 140 30.541 15.267 12.774 1.00 36.43 O +HETATM 978 D1 DOD A 140 29.677 15.607 12.991 1.00 36.77 D +HETATM 979 D2 DOD A 140 31.088 15.976 12.426 1.00 36.78 D +HETATM 980 O DOD A 143 28.284 5.454 -6.397 1.00 27.22 O +HETATM 981 D1 DOD A 143 28.234 4.659 -5.833 1.00 32.37 D +HETATM 982 D2 DOD A 143 27.991 6.122 -5.773 1.00 31.67 D +HETATM 983 O DOD A 144 17.474 21.217 4.158 1.00 42.30 O +HETATM 984 D1 DOD A 144 18.268 20.904 3.726 1.00 40.47 D +HETATM 985 D2 DOD A 144 16.993 21.816 3.609 1.00 40.56 D +HETATM 986 O DOD A 145 38.592 14.977 -3.873 1.00 29.91 O +HETATM 987 D1 DOD A 145 37.993 15.743 -3.880 1.00 31.95 D +HETATM 988 D2 DOD A 145 38.520 14.611 -4.764 1.00 33.00 D +HETATM 989 O DOD A 146 39.369 6.894 -8.744 1.00 41.67 O +HETATM 990 D1 DOD A 146 39.454 6.652 -9.672 1.00 36.52 D +HETATM 991 D2 DOD A 146 40.233 6.697 -8.383 1.00 37.22 D +HETATM 992 O DOD A 156 30.562 -0.831 11.569 0.85 29.85 O +HETATM 993 D1 DOD A 156 30.253 0.047 11.849 0.85 31.06 D +HETATM 994 D2 DOD A 156 30.819 -0.652 10.650 0.85 30.89 D +HETATM 995 O DOD A 157 35.840 10.917 9.802 1.00 23.72 O +HETATM 996 D1 DOD A 157 35.118 11.562 9.768 1.00 25.45 D +HETATM 997 D2 DOD A 157 36.435 11.166 9.095 1.00 25.05 D +HETATM 998 O DOD A 158 32.417 -0.400 5.440 0.50 21.01 O +HETATM 999 D1 DOD A 158 33.309 -0.402 5.914 0.50 20.94 D +HETATM 1000 D2 DOD A 158 31.836 -0.783 6.158 0.50 20.72 D +HETATM 1001 O DOD A 159 30.427 -0.255 3.808 0.50 26.42 O +HETATM 1002 D1 DOD A 159 30.982 -0.258 2.963 0.50 26.94 D +HETATM 1003 D2 DOD A 159 31.146 -0.594 4.435 0.50 26.51 D +HETATM 1004 O DOD A 160 36.062 5.979 -8.634 1.00 41.31 O +HETATM 1005 D1 DOD A 160 35.305 6.506 -8.327 1.00 40.68 D +HETATM 1006 D2 DOD A 160 36.596 5.892 -7.843 1.00 40.44 D +HETATM 1007 O DOD A 200 19.702 17.251 3.159 1.00 19.29 O +HETATM 1008 D1 DOD A 200 18.842 16.821 3.395 1.00 20.94 D +HETATM 1009 D2 DOD A 200 20.251 16.690 3.724 1.00 21.48 D +HETATM 1010 O DOD A 201 38.290 5.419 5.139 0.45 14.23 O +HETATM 1011 D1 DOD A 201 38.695 6.270 5.301 0.45 11.92 D +HETATM 1012 D2 DOD A 201 38.934 4.728 5.353 0.45 12.39 D +HETATM 1013 O DOD A 202 20.841 18.058 5.892 1.00 42.73 O +HETATM 1014 D1 DOD A 202 20.670 18.727 5.224 1.00 41.57 D +HETATM 1015 D2 DOD A 202 20.910 17.173 5.525 1.00 41.34 D +HETATM 1016 O DOD A 203 35.858 -1.262 7.228 1.00 26.79 O +HETATM 1017 D1 DOD A 203 36.279 -0.389 7.191 1.00 24.31 D +HETATM 1018 D2 DOD A 203 36.182 -1.468 8.110 1.00 25.43 D +HETATM 1019 O DOD A 204 39.380 8.361 4.115 0.70 28.37 O +HETATM 1020 D1 DOD A 204 39.408 7.760 3.358 0.70 29.87 D +HETATM 1021 D2 DOD A 204 38.462 8.655 4.217 0.70 30.08 D +HETATM 1022 O DOD A 205 19.638 4.554 4.804 1.00 41.42 O +HETATM 1023 D1 DOD A 205 18.798 4.746 4.362 1.00 41.56 D +HETATM 1024 D2 DOD A 205 19.565 3.636 5.102 1.00 41.35 D +HETATM 1025 O DOD A 209 27.016 14.177 11.548 0.55 23.66 O +HETATM 1026 D1 DOD A 209 26.247 13.668 11.322 0.55 23.22 D +HETATM 1027 D2 DOD A 209 27.150 14.829 10.861 0.55 23.19 D +HETATM 1028 O DOD A 210 32.524 1.944 -8.668 0.55 28.00 O +HETATM 1029 D1 DOD A 210 32.097 1.168 -8.326 0.55 24.83 D +HETATM 1030 D2 DOD A 210 33.318 2.192 -8.183 0.55 24.43 D +HETATM 1031 O DOD A 211 30.420 20.407 -9.327 1.00 50.37 O +HETATM 1032 D1 DOD A 211 30.380 19.438 -9.416 1.00 50.49 D +HETATM 1033 D2 DOD A 211 29.504 20.587 -9.585 1.00 50.62 D +HETATM 1034 O DOD A 212 38.417 11.372 -7.271 1.00 37.18 O +HETATM 1035 D1 DOD A 212 38.648 12.325 -7.203 1.00 35.24 D +HETATM 1036 D2 DOD A 212 39.030 10.978 -6.635 1.00 35.81 D +HETATM 1037 O DOD A 214 15.928 7.068 -4.160 0.80 33.49 O +HETATM 1038 D1 DOD A 214 15.833 6.849 -5.089 0.80 30.73 D +HETATM 1039 D2 DOD A 214 15.838 7.998 -3.965 0.80 30.42 D +HETATM 1040 O DOD A 216 20.369 6.458 13.462 0.75 29.01 O +HETATM 1041 D1 DOD A 216 20.426 6.571 14.416 0.75 29.73 D +HETATM 1042 D2 DOD A 216 21.310 6.715 13.308 0.75 30.07 D +HETATM 1043 O DOD A 217 20.372 9.135 14.450 1.00 45.82 O +HETATM 1044 D1 DOD A 217 20.014 9.262 13.565 1.00 47.54 D +HETATM 1045 D2 DOD A 217 20.713 8.233 14.501 1.00 46.99 D +HETATM 1046 O DOD A 218 34.848 -2.506 13.144 0.60 23.45 O +HETATM 1047 D1 DOD A 218 35.761 -2.257 13.315 0.60 24.59 D +HETATM 1048 D2 DOD A 218 34.364 -1.952 13.777 0.60 23.86 D +HETATM 1049 O DOD A 219 18.689 3.099 -6.988 0.65 32.86 O +HETATM 1050 D1 DOD A 219 18.183 2.627 -6.333 0.65 31.27 D +HETATM 1051 D2 DOD A 219 19.292 2.483 -7.421 0.65 31.44 D +HETATM 1052 O DOD A 220 34.306 13.635 6.574 0.70 44.72 O +HETATM 1053 D1 DOD A 220 34.435 13.156 7.403 0.70 43.71 D +HETATM 1054 D2 DOD A 220 33.907 14.473 6.837 0.70 43.25 D +HETATM 1055 O DOD A 223 39.704 6.653 -0.920 0.70 27.12 O +HETATM 1056 D1 DOD A 223 39.839 5.695 -0.886 0.70 27.44 D +HETATM 1057 D2 DOD A 223 40.073 6.944 -0.069 0.70 26.30 D +HETATM 1058 O DOD A 225 35.835 1.799 -4.168 0.70 22.62 O +HETATM 1059 D1 DOD A 225 35.195 1.203 -4.651 0.70 21.80 D +HETATM 1060 D2 DOD A 225 35.838 1.670 -3.184 0.70 22.59 D +HETATM 1061 O DOD A 302 23.473 14.023 7.697 0.50 17.94 O +HETATM 1062 D1 DOD A 302 23.104 13.994 6.796 0.50 18.22 D +HETATM 1063 D2 DOD A 302 23.692 13.105 7.863 0.50 18.44 D +HETATM 1064 O DOD A 304 17.425 18.515 0.940 0.60 20.11 O +HETATM 1065 D1 DOD A 304 16.690 18.065 1.361 0.60 20.79 D +HETATM 1066 D2 DOD A 304 18.107 18.630 1.602 0.60 21.21 D +HETATM 1067 O DOD A 310 30.817 21.189 -4.297 0.75 33.44 O +HETATM 1068 D1 DOD A 310 31.670 21.225 -4.770 0.75 33.45 D +HETATM 1069 D2 DOD A 310 30.745 20.286 -3.971 0.75 33.90 D +HETATM 1070 O DOD A 311 29.101 21.433 -2.694 0.75 39.78 O +HETATM 1071 D1 DOD A 311 28.810 20.773 -3.335 0.75 40.82 D +HETATM 1072 D2 DOD A 311 29.404 20.908 -1.940 0.75 41.00 D +HETATM 1073 O DOD A 312 34.385 2.967 -0.675 0.75 49.17 O +HETATM 1074 D1 DOD A 312 33.896 2.264 -0.231 0.75 49.99 D +HETATM 1075 D2 DOD A 312 35.282 2.635 -0.820 0.75 50.11 D +HETATM 1076 O DOD A 313 22.760 12.894 9.757 0.75 34.76 O +HETATM 1077 D1 DOD A 313 23.725 12.886 9.820 0.75 32.32 D +HETATM 1078 D2 DOD A 313 22.695 12.328 8.975 0.75 32.33 D +HETATM 1079 O DOD A 314 29.184 16.951 -10.815 1.00 50.56 O +HETATM 1080 D1 DOD A 314 28.486 16.392 -11.157 1.00 49.79 D +HETATM 1081 D2 DOD A 314 29.843 17.006 -11.516 1.00 50.11 D +HETATM 1082 O DOD A 315 37.208 17.290 -2.722 0.75 35.00 O +HETATM 1083 D1 DOD A 315 36.748 17.851 -2.066 0.75 33.32 D +HETATM 1084 D2 DOD A 315 37.034 16.398 -2.381 0.75 33.28 D +HETATM 1085 O DOD A 316 39.924 5.096 15.153 0.75 91.84 O +HETATM 1086 D1 DOD A 316 40.240 5.673 15.857 0.75 91.50 D +HETATM 1087 D2 DOD A 316 39.075 4.751 15.456 0.75 91.50 D +HETATM 1088 O DOD A 317 24.792 1.584 -6.585 1.00 53.91 O +HETATM 1089 D1 DOD A 317 24.014 2.025 -6.941 1.00 52.72 D +HETATM 1090 D2 DOD A 317 25.404 2.307 -6.419 1.00 53.49 D +HETATM 1091 O DOD A 318 29.052 21.202 9.370 0.75 46.66 O +HETATM 1092 D1 DOD A 318 28.463 20.601 9.828 0.75 44.03 D +HETATM 1093 D2 DOD A 318 29.833 20.748 9.033 0.75 44.42 D +HETATM 1094 O DOD A 319 31.855 0.163 0.605 0.75 42.28 O +HETATM 1095 D1 DOD A 319 30.944 -0.153 0.702 0.75 40.63 D +HETATM 1096 D2 DOD A 319 31.809 1.074 0.885 0.75 40.72 D +HETATM 1097 O DOD A 320 17.490 9.671 -3.504 0.75 50.06 O +HETATM 1098 D1 DOD A 320 17.844 10.566 -3.494 0.75 49.93 D +HETATM 1099 D2 DOD A 320 16.796 9.717 -2.837 0.75 50.26 D +HETATM 1100 O DOD A 321 23.571 -0.806 13.870 0.50 28.53 O +HETATM 1101 D1 DOD A 321 24.067 -1.107 14.640 0.50 28.83 D +HETATM 1102 D2 DOD A 321 23.508 -1.626 13.366 0.50 27.58 D +HETATM 1103 O DOD A 322 30.284 21.588 -6.518 0.75 52.32 O +HETATM 1104 D1 DOD A 322 30.165 22.574 -6.795 0.75 50.92 D +HETATM 1105 D2 DOD A 322 29.362 21.275 -6.636 0.75 50.63 D +CONECT 78 880 +CONECT 215 599 +CONECT 487 807 +CONECT 599 215 +CONECT 807 487 +CONECT 880 78 +CONECT 911 912 913 914 915 +CONECT 912 911 +CONECT 913 911 +CONECT 914 911 +CONECT 915 911 +MASTER 308 2 2 2 3 0 3 6 1104 1 11 5 +END From bb0d3fe166313064c221f637afe40d55fbaa7753 Mon Sep 17 00:00:00 2001 From: James Morris Date: Sun, 21 Apr 2019 22:53:25 +0100 Subject: [PATCH 022/821] Update GenbankReaderTest.java Added imports for InputStreamReader and BufferedReader --- .../org/biojava/nbio/core/sequence/io/GenbankReaderTest.java | 2 ++ 1 file changed, 2 insertions(+) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 40af2a5fdc..2e90145a7c 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -42,8 +42,10 @@ import org.slf4j.LoggerFactory; import java.io.BufferedInputStream; +import java.io.BufferedReader; import java.io.IOException; import java.io.InputStream; +import java.io.InputStreamReader; import java.util.ArrayList; import java.util.LinkedHashMap; import java.util.List; From 8d88c9fa72407b3bbf5c5cb7df9a58e1e095009f Mon Sep 17 00:00:00 2001 From: kslb056 Date: Tue, 23 Apr 2019 17:07:25 +0100 Subject: [PATCH 023/821] Declaring specific exceptions and moved test resources into testing class folder --- .../core/sequence/io/GenbankReaderTest.java | 161 ++++++------------ .../core/sequence/io}/uppercase_locus0.gb | 0 .../core/sequence/io}/uppercase_locus1.gb | 0 .../core/sequence/io}/uppercase_locus2.gb | 0 .../core/sequence/io}/uppercase_locus3.gb | 0 .../core/sequence/io}/uppercase_locus4.gb | 0 .../core/sequence/io}/uppercase_locus5.gb | 0 .../core/sequence/io}/uppercase_locus6.gb | 0 .../core/sequence/io}/uppercase_locus7.gb | 0 9 files changed, 53 insertions(+), 108 deletions(-) rename biojava-core/src/test/resources/{ => org/biojava/nbio/core/sequence/io}/uppercase_locus0.gb (100%) rename biojava-core/src/test/resources/{ => org/biojava/nbio/core/sequence/io}/uppercase_locus1.gb (100%) rename biojava-core/src/test/resources/{ => org/biojava/nbio/core/sequence/io}/uppercase_locus2.gb (100%) rename biojava-core/src/test/resources/{ => org/biojava/nbio/core/sequence/io}/uppercase_locus3.gb (100%) rename biojava-core/src/test/resources/{ => org/biojava/nbio/core/sequence/io}/uppercase_locus4.gb (100%) rename biojava-core/src/test/resources/{ => org/biojava/nbio/core/sequence/io}/uppercase_locus5.gb (100%) rename biojava-core/src/test/resources/{ => org/biojava/nbio/core/sequence/io}/uppercase_locus6.gb (100%) rename biojava-core/src/test/resources/{ => org/biojava/nbio/core/sequence/io}/uppercase_locus7.gb (100%) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java index 2e90145a7c..5bcbecf672 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/GenbankReaderTest.java @@ -234,115 +234,60 @@ public void CDStest() throws Exception { } - private DNASequence readGenbankResource(final String resource) throws Exception { - DNASequence sequence = null; - InputStream inputStream = null; - try { - inputStream = getClass().getResourceAsStream(resource); - - GenbankReader genbankDNA - = new GenbankReader<>( - inputStream, - new GenericGenbankHeaderParser<>(), - new DNASequenceCreator(DNACompoundSet.getDNACompoundSet()) - ); - LinkedHashMap dnaSequences = genbankDNA.process(); - sequence = dnaSequences.values().iterator().next(); - } - finally { - try { - inputStream.close(); - } - catch (Exception e) { - // ignore - } - } - return sequence; + private DNASequence readGenbankResource(final String resource) throws IOException, CompoundNotFoundException { + InputStream inputStream = getClass().getResourceAsStream(resource); + GenbankReader genbankDNA + = new GenbankReader<>( + inputStream, + new GenericGenbankHeaderParser<>(), + new DNASequenceCreator(DNACompoundSet.getDNACompoundSet()) + ); + LinkedHashMap dnaSequences = genbankDNA.process(); + return dnaSequences.values().iterator().next(); } - private RNASequence readGenbankRNAResource(final String resource) throws Exception { - RNASequence sequence = null; - InputStream inputStream = null; - try { - inputStream = getClass().getResourceAsStream(resource); - - GenbankReader genbankRNA - = new GenbankReader<>( - inputStream, - new GenericGenbankHeaderParser<>(), - new RNASequenceCreator(RNACompoundSet.getRNACompoundSet()) - ); - LinkedHashMap rnaSequences = genbankRNA.process(); - sequence = rnaSequences.values().iterator().next(); - } - finally { - try { - inputStream.close(); - } - catch (Exception e) { - // ignore - } - } - return sequence; + private RNASequence readGenbankRNAResource(final String resource) throws IOException, CompoundNotFoundException { + InputStream inputStream = getClass().getResourceAsStream(resource); + GenbankReader genbankRNA + = new GenbankReader<>( + inputStream, + new GenericGenbankHeaderParser<>(), + new RNASequenceCreator(RNACompoundSet.getRNACompoundSet()) + ); + LinkedHashMap rnaSequences = genbankRNA.process(); + return rnaSequences.values().iterator().next(); } - private ProteinSequence readGenbankProteinResource(final String resource) throws Exception { - ProteinSequence sequence = null; - InputStream inputStream = null; - try { - inputStream = getClass().getResourceAsStream(resource); - - GenbankReader genbankProtein - = new GenbankReader<>( - inputStream, - new GenericGenbankHeaderParser<>(), - new ProteinSequenceCreator(AminoAcidCompoundSet.getAminoAcidCompoundSet()) - ); - - LinkedHashMap proteinSequences = genbankProtein.process(); - sequence = proteinSequences.values().iterator().next(); - } - finally { - try { - inputStream.close(); - } - catch (Exception e) { - // ignore - } - } - return sequence; + private ProteinSequence readGenbankProteinResource(final String resource) throws IOException, CompoundNotFoundException { + InputStream inputStream = getClass().getResourceAsStream(resource); + GenbankReader genbankProtein + = new GenbankReader<>( + inputStream, + new GenericGenbankHeaderParser<>(), + new ProteinSequenceCreator(AminoAcidCompoundSet.getAminoAcidCompoundSet()) + ); + LinkedHashMap proteinSequences = genbankProtein.process(); + return proteinSequences.values().iterator().next(); } - private AbstractSequence readUnknownGenbankResource(final String resource) throws Exception { - InputStream inputStream = null; - - try { - inputStream = getClass().getResourceAsStream(resource); - GenbankSequenceParser genbankParser = new GenbankSequenceParser(); - BufferedReader bufferedReader = new BufferedReader(new InputStreamReader(inputStream)); - String seqString = genbankParser.getSequence(bufferedReader, 0); - String compoundSet = genbankParser.getCompoundType().getClass().getSimpleName(); - - if (compoundSet.equals("AminoAcidCompoundSet")) { - return readGenbankProteinResource(resource); - } else if (compoundSet.equals("RNACompoundSet")) { - return readGenbankRNAResource(resource); - } else { - return readGenbankResource(resource); - } - } - finally { - try { - inputStream.close(); - } - catch (Exception e) { - // ignore - } + private AbstractSequence readUnknownGenbankResource(final String resource) throws IOException, CompoundNotFoundException { + InputStream inputStream = getClass().getResourceAsStream(resource); + GenbankSequenceParser genbankParser = new GenbankSequenceParser(); + BufferedReader bufferedReader = new BufferedReader(new InputStreamReader(inputStream)); + String seqString = genbankParser.getSequence(bufferedReader, 0); + String compoundSet = genbankParser.getCompoundType().getClass().getSimpleName(); + + if (compoundSet.equals("AminoAcidCompoundSet")) { + return readGenbankProteinResource(resource); + } else if (compoundSet.equals("RNACompoundSet")) { + return readGenbankRNAResource(resource); + } else { + return readGenbankResource(resource); } } @Test - public void testNcbiExpandedAccessionFormats() throws Exception { + public void testNcbiExpandedAccessionFormats() throws IOException, CompoundNotFoundException { DNASequence header0 = readGenbankResource("/empty_header0.gb"); assertEquals("CP032762 5868661 bp DNA circular BCT 15-OCT-2018", header0.getOriginalHeader()); @@ -354,51 +299,51 @@ public void testNcbiExpandedAccessionFormats() throws Exception { } @Test - public void testLegacyLocusCompatable() throws Exception { + public void testLegacyLocusCompatable() throws IOException, CompoundNotFoundException { // Testing opening a genbank file with uppercase units, strand and topology - AbstractSequence header0 = readUnknownGenbankResource("/uppercase_locus0.gb"); + AbstractSequence header0 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io/uppercase_locus0.gb"); assertEquals("ABC12.3_DE 7071 BP DS-DNA CIRCULAR SYN 22-JUL-1994", header0.getOriginalHeader()); assertEquals("ABC12.3_DE", header0.getAccession().getID()); assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase SS strand - AbstractSequence header1 = readUnknownGenbankResource("/uppercase_locus1.gb"); + AbstractSequence header1 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus1.gb"); assertEquals("ABC12.3_DE 7071 BP SS-DNA CIRCULAR SYN 13-JUL-1994", header1.getOriginalHeader()); assertEquals("ABC12.3_DE", header1.getAccession().getID()); assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase MS strand - AbstractSequence header2 = readUnknownGenbankResource("/uppercase_locus2.gb"); + AbstractSequence header2 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus2.gb"); assertEquals("ABC12.3_DE 7071 BP MS-DNA CIRCULAR SYN 13-JUL-1994", header2.getOriginalHeader()); assertEquals("ABC12.3_DE", header2.getAccession().getID()); assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase LINEAR topology - AbstractSequence header3 = readUnknownGenbankResource("/uppercase_locus3.gb"); + AbstractSequence header3 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus3.gb"); assertEquals("ABC12.3_DE 7071 BP DNA LINEAR SYN 22-JUL-1994", header3.getOriginalHeader()); assertEquals("ABC12.3_DE", header3.getAccession().getID()); assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase units with no strand or topology - AbstractSequence header4 = readUnknownGenbankResource("/uppercase_locus4.gb"); + AbstractSequence header4 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus4.gb"); assertEquals("ABC12.3_DE 7071 BP RNA SYN 13-JUL-1994", header4.getOriginalHeader()); assertEquals("ABC12.3_DE", header4.getAccession().getID()); assertEquals("RNACompoundSet", header4.getCompoundSet().getClass().getSimpleName()); // Testing uppercase units with no strand, topology, division or date - AbstractSequence header5 = readUnknownGenbankResource("/uppercase_locus5.gb"); + AbstractSequence header5 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus5.gb"); assertEquals("ABC12.3_DE 7071 BP DNA", header5.getOriginalHeader()); assertEquals("ABC12.3_DE", header5.getAccession().getID()); // Testing uppercase units with no strand, molecule type, topology, division or date - AbstractSequence header6 = readUnknownGenbankResource("/uppercase_locus6.gb"); + AbstractSequence header6 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus6.gb"); assertEquals("ABC12.3_DE 7071 BP", header6.getOriginalHeader()); assertEquals("ABC12.3_DE", header6.getAccession().getID()); assertEquals("DNACompoundSet", header0.getCompoundSet().getClass().getSimpleName()); // Testing uppercase protein units - AbstractSequence header7 = readUnknownGenbankResource("/uppercase_locus7.gb"); + AbstractSequence header7 = readUnknownGenbankResource("/org/biojava/nbio/core/sequence/io//uppercase_locus7.gb"); assertEquals("ABC12.3_DE 7071 AA Protein", header7.getOriginalHeader()); assertEquals("ABC12.3_DE", header7.getAccession().getID()); assertEquals("AminoAcidCompoundSet", header7.getCompoundSet().getClass().getSimpleName()); diff --git a/biojava-core/src/test/resources/uppercase_locus0.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus0.gb similarity index 100% rename from biojava-core/src/test/resources/uppercase_locus0.gb rename to biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus0.gb diff --git a/biojava-core/src/test/resources/uppercase_locus1.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus1.gb similarity index 100% rename from biojava-core/src/test/resources/uppercase_locus1.gb rename to biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus1.gb diff --git a/biojava-core/src/test/resources/uppercase_locus2.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus2.gb similarity index 100% rename from biojava-core/src/test/resources/uppercase_locus2.gb rename to biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus2.gb diff --git a/biojava-core/src/test/resources/uppercase_locus3.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus3.gb similarity index 100% rename from biojava-core/src/test/resources/uppercase_locus3.gb rename to biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus3.gb diff --git a/biojava-core/src/test/resources/uppercase_locus4.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus4.gb similarity index 100% rename from biojava-core/src/test/resources/uppercase_locus4.gb rename to biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus4.gb diff --git a/biojava-core/src/test/resources/uppercase_locus5.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus5.gb similarity index 100% rename from biojava-core/src/test/resources/uppercase_locus5.gb rename to biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus5.gb diff --git a/biojava-core/src/test/resources/uppercase_locus6.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus6.gb similarity index 100% rename from biojava-core/src/test/resources/uppercase_locus6.gb rename to biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus6.gb diff --git a/biojava-core/src/test/resources/uppercase_locus7.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus7.gb similarity index 100% rename from biojava-core/src/test/resources/uppercase_locus7.gb rename to biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus7.gb From e35eb9b76a99739bb0c0f012fcc3e3173801ad9b Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Wed, 24 Apr 2019 14:11:54 -0700 Subject: [PATCH 024/821] stub for CifFileSupplier --- ...{CIFFileReader.java => CifFileReader.java} | 12 +- .../structure/io/cif/CifFileConsumer.java | 200 +++++++++++++++++- .../structure/io/cif/CifFileConsumerImpl.java | 114 +++++----- .../structure/io/cif/CifFileSupplier.java | 18 ++ .../structure/io/cif/CifFileSupplierImpl.java | 17 ++ .../io/cif/CifFileConsumerImplTest.java | 4 +- 6 files changed, 304 insertions(+), 61 deletions(-) rename biojava-structure/src/main/java/org/biojava/nbio/structure/io/{CIFFileReader.java => CifFileReader.java} (95%) create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CIFFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java similarity index 95% rename from biojava-structure/src/main/java/org/biojava/nbio/structure/io/CIFFileReader.java rename to biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java index 593176d9bc..679ccb6e43 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CIFFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java @@ -10,16 +10,21 @@ import java.io.IOException; import java.io.InputStream; -public class CIFFileReader extends LocalPDBDirectory { +/** + * Parse CifFile instances and allow to store them locally. + * @author Sebastian Bittrich + * @since 5.2.1 + */ +public class CifFileReader extends LocalPDBDirectory { // TODO paths are meaningless for now public static final String[] BCIF_SPLIT_DIR = new String[] { "data", "structures", "divided", "bcif" }; public static final String[] BCIF_OBSOLETE_DIR = new String[] { "data", "structures", "obsolete", "bcif" }; - public CIFFileReader() { + public CifFileReader() { this(null); } - public CIFFileReader(String path) { + public CifFileReader(String path) { super(path); // TODO addExtension(".cif"); @@ -68,7 +73,6 @@ private Structure read(CifFile cifFile) { Block cifBlock = cifFile.getBlocks().get(0); // TODO maybe integrate rogue categories into Cif schema - // TODO rethink way to access missing categories consumer.consumeAuditAuthor(cifBlock.getCategory("audit_author")); consumer.consumeAtomSite(cifBlock.getAtomSite()); consumer.consumeAtomSites(cifBlock.getAtomSites()); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java index fd24111f48..68cc62996c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java @@ -34,100 +34,298 @@ import org.rcsb.cif.model.structsitegen.StructSiteGen; import org.rcsb.cif.model.symmetry.Symmetry; +/** + * Defines a rather generic interface which allows to populate some data structure with data parsed from a CIF file. + * + * @param the type of container an implementing class will return + * @author Sebastian Bittrich + * @since 5.2.1 + */ public interface CifFileConsumer { + /** + * Setup routine which initializes a new container. + */ void prepare(); + /** + * Consume a particular Cif category. + * @param atomSite data + */ void consumeAtomSite(AtomSite atomSite); + /** + * Consume a particular Cif category. + * @param atomSites data + */ void consumeAtomSites(AtomSites atomSites); + /** + * Consume a particular Cif category. + * @param auditAuthor data + */ void consumeAuditAuthor(Category auditAuthor); + /** + * Consume a particular Cif category. + * @param cell data + */ void consumeCell(Cell cell); + /** + * Consume a particular Cif category. + * @param chemComp data + */ void consumeChemComp(ChemComp chemComp); + /** + * Consume a particular Cif category. + * @param chemCompBond data + */ void consumeChemCompBond(ChemCompBond chemCompBond); + /** + * Consume a particular Cif category. + * @param databasePDBremark data + */ void consumeDatabasePDBremark(Category databasePDBremark); + /** + * Consume a particular Cif category. + * @param databasePDBrev data + */ void consumeDatabasePDBrev(Category databasePDBrev); + /** + * Consume a particular Cif category. + * @param databasePDBrevRecord data + */ void consumeDatabasePDBrevRecord(Category databasePDBrevRecord); - void consumeEntity(Entity e); + /** + * Consume a particular Cif category. + * @param entity data + */ + void consumeEntity(Entity entity); + /** + * Consume a particular Cif category. + * @param entityPoly data + */ void consumeEntityPoly(EntityPoly entityPoly); + /** + * Consume a particular Cif category. + * @param entitySrcGen data + */ void consumeEntitySrcGen(Category entitySrcGen); + /** + * Consume a particular Cif category. + * @param entitySrcNat data + */ void consumeEntitySrcNat(Category entitySrcNat); + /** + * Consume a particular Cif category. + * @param entitySrcSyn data + */ void consumeEntitySrcSyn(Category entitySrcSyn); + /** + * Consume a particular Cif category. + * @param entityPolySeq data + */ void consumeEntityPolySeq(EntityPolySeq entityPolySeq); + /** + * Consume a particular Cif category. + * @param exptl data + */ void consumeExptl(Exptl exptl); + /** + * Consume a particular Cif category. + * @param pdbxAuditRevisionHistory data + */ void consumePdbxAuditRevisionHistory(Category pdbxAuditRevisionHistory); + /** + * Consume a particular Cif category. + * @param pdbxChemCompIdentifier data + */ void consumePdbxChemCompIdentifier(PdbxChemCompIdentifier pdbxChemCompIdentifier); + /** + * Consume a particular Cif category. + * @param pdbxDatabaseStatus data + */ void consumePdbxDatabaseStatus(Category pdbxDatabaseStatus); + /** + * Consume a particular Cif category. + * @param pdbxEntityDescriptor data + */ void consumePdbxEntityDescriptor(PdbxEntityDescriptor pdbxEntityDescriptor); + /** + * Consume a particular Cif category. + * @param pdbxMolecule data + */ void consumePdbxMolecule(PdbxMolecule pdbxMolecule); + /** + * Consume a particular Cif category. + * @param pdbxMoleculeFeatures data + */ void consumePdbxMoleculeFeatures(PdbxMoleculeFeatures pdbxMoleculeFeatures); + /** + * Consume a particular Cif category. + * @param pdbxNonpolyScheme data + */ void consumePdbxNonpolyScheme(PdbxNonpolyScheme pdbxNonpolyScheme); + /** + * Consume a particular Cif category. + * @param pdbxReferenceEntityLink data + */ void consumePdbxReferenceEntityLink(PdbxReferenceEntityLink pdbxReferenceEntityLink); + /** + * Consume a particular Cif category. + * @param pdbxReferenceEntityList data + */ void consumePdbxReferenceEntityList(PdbxReferenceEntityList pdbxReferenceEntityList); + /** + * Consume a particular Cif category. + * @param pdbxReferenceEntityPolyLink data + */ void consumePdbxReferenceEntityPolyLink(PdbxReferenceEntityPolyLink pdbxReferenceEntityPolyLink); + /** + * Consume a particular Cif category. + * @param pdbxStructAssembly data + */ void consumePdbxStructAssembly(PdbxStructAssembly pdbxStructAssembly); + /** + * Consume a particular Cif category. + * @param pdbxStructAssemblyGen data + */ void consumePdbxStructAssemblyGen(PdbxStructAssemblyGen pdbxStructAssemblyGen); + /** + * Consume a particular Cif category. + * @param pdbxStructModResidue data + */ void consumePdbxStructModResidue(PdbxStructModResidue pdbxStructModResidue); + /** + * Consume a particular Cif category. + * @param pdbxStructOperList data + */ void consumePdbxStructOperList(PdbxStructOperList pdbxStructOperList); + /** + * Consume a particular Cif category. + * @param refine data + */ void consumeRefine(Category refine); + /** + * Consume a particular Cif category. + * @param struct data + */ void consumeStruct(Struct struct); + /** + * Consume a particular Cif category. + * @param structAsym data + */ void consumeStructAsym(StructAsym structAsym); + /** + * Consume a particular Cif category. + * @param structConf data + */ void consumeStructConf(StructConf structConf); + /** + * Consume a particular Cif category. + * @param structConn data + */ void consumeStructConn(StructConn structConn); + /** + * Consume a particular Cif category. + * @param structConnType data + */ void consumeStructConnType(StructConnType structConnType); + /** + * Consume a particular Cif category. + * @param structKeywords data + */ void consumeStructKeywords(StructKeywords structKeywords); + /** + * Consume a particular Cif category. + * @param structNcsOper data + */ void consumeStructNcsOper(StructNcsOper structNcsOper); + /** + * Consume a particular Cif category. + * @param structRef data + */ void consumeStructRef(Category structRef); + /** + * Consume a particular Cif category. + * @param structRefSeq data + */ void consumeStructRefSeq(Category structRefSeq); + /** + * Consume a particular Cif category. + * @param structRefSeqDif data + */ void consumeStructRefSeqDif(Category structRefSeqDif); + /** + * Consume a particular Cif category. + * @param structSheetRange data + */ void consumeStructSheetRange(StructSheetRange structSheetRange); + /** + * Consume a particular Cif category. + * @param structSite data + */ void consumeStructSite(StructSite structSite); + /** + * Consume a particular Cif category. + * @param structSiteGen data + */ void consumeStructSiteGen(StructSiteGen structSiteGen); + /** + * Consume a particular Cif category. + * @param symmetry data + */ void consumeSymmetry(Symmetry symmetry); + /** + * Ultimate setup which can include steps which require several categories to be available and integrate them into + * the final container. + */ void finish(); + /** + * Retrieve the created container representing a CIF file. + * @return all desired information wrapped as object of type S + */ S getContainer(); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 69619b38cf..38fea3bf81 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -55,6 +55,15 @@ import java.util.stream.Collectors; import java.util.stream.IntStream; +/** + * An implementation of a CifFileConsumer for BioJava. Will process the information provided by a CifFile instance and + * use it to build up a {@link Structure} object. The implementation is for the most part really close to that in + * {@link org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer} and associated classes. The main difference is that + * all internally used model classes are generated from the MMCIF schema and a standardized interface to CifFile data is + * provided. This allows to readily parse files in CIF format as well as binary CIF (BCIF) format. + * @author Sebastian Bittrich + * @since 5.2.1 + */ public class CifFileConsumerImpl implements CifFileConsumer { private static final Logger logger = LoggerFactory.getLogger(CifFileConsumerImpl.class); private static final SimpleDateFormat DATE_FORMAT = new SimpleDateFormat("yyyy-MM-dd", Locale.US); @@ -395,25 +404,25 @@ private Group createGroup(String record, Character oneLetterCode, String threeLe public void consumeAtomSites(AtomSites atomSites) { try { parsedScaleMatrix = new Matrix4d( - Double.parseDouble(atomSites.getColumn("fract_transf_matrix[1][1]").getStringData(0)), - Double.parseDouble(atomSites.getColumn("fract_transf_matrix[1][2]").getStringData(0)), - Double.parseDouble(atomSites.getColumn("fract_transf_matrix[1][3]").getStringData(0)), - Double.parseDouble(atomSites.getColumn("fract_transf_vector[1]").getStringData(0)), - - Double.parseDouble(atomSites.getColumn("fract_transf_matrix[2][1]").getStringData(0)), - Double.parseDouble(atomSites.getColumn("fract_transf_matrix[2][2]").getStringData(0)), - Double.parseDouble(atomSites.getColumn("fract_transf_matrix[2][3]").getStringData(0)), - Double.parseDouble(atomSites.getColumn("fract_transf_vector[2]").getStringData(0)), - - Double.parseDouble(atomSites.getColumn("fract_transf_matrix[3][1]").getStringData(0)), - Double.parseDouble(atomSites.getColumn("fract_transf_matrix[3][2]").getStringData(0)), - Double.parseDouble(atomSites.getColumn("fract_transf_matrix[3][3]").getStringData(0)), - Double.parseDouble(atomSites.getColumn("fract_transf_vector[3]").getStringData(0)), - - 0, - 0, - 0, - 1 + atomSites.getFractTransfMatrix11().get(), + atomSites.getFractTransfMatrix12().get(), + atomSites.getFractTransfMatrix13().get(), + atomSites.getFractTransfVector1().get(), + + atomSites.getFractTransfMatrix21().get(), + atomSites.getFractTransfMatrix22().get(), + atomSites.getFractTransfMatrix23().get(), + atomSites.getFractTransfVector2().get(), + + atomSites.getFractTransfMatrix31().get(), + atomSites.getFractTransfMatrix32().get(), + atomSites.getFractTransfMatrix33().get(), + atomSites.getFractTransfVector3().get(), + + 0, + 0, + 0, + 1 ); } catch (NumberFormatException e) { logger.warn("Some values in _atom_sites.fract_transf_matrix or _atom_sites.fract_transf_vector could not " + @@ -428,8 +437,8 @@ public void consumeAuditAuthor(Category auditAuthor) { for (int rowIndex = 0; rowIndex < auditAuthor.getRowCount(); rowIndex++) { String name = auditAuthor.getColumn("name").getStringData(rowIndex); - StringBuffer last = new StringBuffer(); - StringBuffer initials = new StringBuffer(); + StringBuilder last = new StringBuilder(); + StringBuilder initials = new StringBuilder(); boolean afterComma = false; for (char c : name.toCharArray()) { if (c == ' ') { @@ -526,15 +535,13 @@ public void consumeDatabasePDBremark(Category databasePDBremark) { // line contains ANGSTROM info... String resolution = line.substring(i - 5, i).trim(); // convert string to float - float res = 99; try { - res = Float.parseFloat(resolution); + float res = Float.parseFloat(resolution); + pdbHeader.setResolution(res); } catch (NumberFormatException e) { logger.info("could not parse resolution from line and ignoring it {}", line); return; } - - pdbHeader.setResolution(res); } } } @@ -925,13 +932,13 @@ public void consumeStructRefSeq(Category structRefSeq) { return; } - Character beginInsCode = ' '; + char beginInsCode = ' '; String pdbxSeqAlignBegInsCode = structRefSeq.getColumn("pdbx_seq_align_beg_ins_code").getStringData(rowIndex); if (pdbxSeqAlignBegInsCode.length() > 0) { beginInsCode = pdbxSeqAlignBegInsCode.charAt(0); } - Character endInsCode = ' '; + char endInsCode = ' '; String pdbxSeqAlignEndInsCode = structRefSeq.getColumn("pdbx_seq_align_end_ins_code").getStringData(rowIndex); if (pdbxSeqAlignEndInsCode.length() > 0) { endInsCode = pdbxSeqAlignEndInsCode.charAt(0); @@ -952,7 +959,7 @@ public void consumeStructRefSeq(Category structRefSeq) { int dbSeqBegin = Integer.parseInt(structRefSeq.getColumn("db_align_beg").getStringData(rowIndex)); int dbSeqEnd = Integer.parseInt(structRefSeq.getColumn("db_align_end").getStringData(rowIndex)); - Character dbBeginInsCode = ' '; + char dbBeginInsCode = ' '; Column pdbxDbAlignBegInsCodeCol = structRefSeq.getColumn("pdbx_db_align_beg_ins_code"); if (pdbxDbAlignBegInsCodeCol.isDefined()) { String pdbxDbAlignBegInsCode = pdbxDbAlignBegInsCodeCol.getStringData(rowIndex); @@ -961,7 +968,7 @@ public void consumeStructRefSeq(Category structRefSeq) { } } - Character dbEndInsCode = ' '; + char dbEndInsCode = ' '; Column pdbxDbAlignEndInsCodeCol = structRefSeq.getColumn("pdbx_db_align_end_ins_code"); if (pdbxDbAlignEndInsCodeCol.isDefined()) { String pdbxDbAlignEndInsCode = pdbxDbAlignEndInsCodeCol.getStringData(rowIndex); @@ -1249,7 +1256,7 @@ private String getEntityType(String entityId) { .filter(i -> entity.getId().get(i).equals(entityId)) .mapToObj(i -> entity.getType().get(i)) .findFirst() - .get(); + .orElseThrow(() -> new NoSuchElementException("could not find entity with id " + entityId)); } private String getEntityDescription(String entityId) { @@ -1257,7 +1264,7 @@ private String getEntityDescription(String entityId) { .filter(i -> entity.getId().get(i).equals(entityId)) .mapToObj(i -> entity.getPdbxDescription().get(i)) .findFirst() - .get(); + .orElseThrow(() -> new NoSuchElementException("could not find entity with id " + entityId)); } private void addEntity(int asymRowIndex, String entityId, String pdbxDescription, String type) { @@ -1361,17 +1368,17 @@ private void setStructNcsOps() { try { Matrix4d operator = new Matrix4d(); - operator.setElement(0, 0, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9))); - operator.setElement(0, 1, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 1))); - operator.setElement(0, 2, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 2))); + operator.setElement(0, 0, structNcsOper.getMatrix11().get(rowIndex)); + operator.setElement(0, 1, structNcsOper.getMatrix12().get(rowIndex)); + operator.setElement(0, 2, structNcsOper.getMatrix13().get(rowIndex)); - operator.setElement(1, 0, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 3))); - operator.setElement(1, 1, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 4))); - operator.setElement(1, 2, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 5))); + operator.setElement(1, 0, structNcsOper.getMatrix21().get(rowIndex)); + operator.setElement(1, 1, structNcsOper.getMatrix22().get(rowIndex)); + operator.setElement(1, 2, structNcsOper.getMatrix23().get(rowIndex)); - operator.setElement(2, 0, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 6))); - operator.setElement(2, 1, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 7))); - operator.setElement(2, 2, Double.parseDouble(structNcsOper.getMatrix().get(rowIndex * 9 + 8))); + operator.setElement(2, 0, structNcsOper.getMatrix31().get(rowIndex)); + operator.setElement(2, 1, structNcsOper.getMatrix32().get(rowIndex)); + operator.setElement(2, 2, structNcsOper.getMatrix33().get(rowIndex)); operator.setElement(3, 0, 0); operator.setElement(3, 1, 0); @@ -1401,20 +1408,19 @@ private List conve pdbxStructOperList.setSymmetry_operation(structOpers.getSymmetryOperation().get(rowIndex)); pdbxStructOperList.setType(structOpers.getType().get(rowIndex)); - pdbxStructOperList.setMatrix11(structOpers.getMatrix().get(rowIndex * 9)); - pdbxStructOperList.setMatrix12(structOpers.getMatrix().get(rowIndex * 9 + 1)); - pdbxStructOperList.setMatrix13(structOpers.getMatrix().get(rowIndex * 9 + 2)); - pdbxStructOperList.setMatrix21(structOpers.getMatrix().get(rowIndex * 9 + 3)); - pdbxStructOperList.setMatrix22(structOpers.getMatrix().get(rowIndex * 9 + 4)); - pdbxStructOperList.setMatrix23(structOpers.getMatrix().get(rowIndex * 9 + 5)); - pdbxStructOperList.setMatrix31(structOpers.getMatrix().get(rowIndex * 9 + 6)); - pdbxStructOperList.setMatrix32(structOpers.getMatrix().get(rowIndex * 9 + 7)); - pdbxStructOperList.setMatrix33(structOpers.getMatrix().get(rowIndex * 9 + 8)); - - pdbxStructOperList.setVector1(structOpers.getVector().get(rowIndex * 3)); - pdbxStructOperList.setVector2(structOpers.getVector().get(rowIndex * 3 + 1)); - pdbxStructOperList.setVector3(structOpers.getVector().get(rowIndex * 3 + 2)); - // TODO function to convert Matrix into Matrix + pdbxStructOperList.setMatrix11(String.valueOf(structOpers.getMatrix11().get(rowIndex))); + pdbxStructOperList.setMatrix12(String.valueOf(structOpers.getMatrix12().get(rowIndex))); + pdbxStructOperList.setMatrix13(String.valueOf(structOpers.getMatrix13().get(rowIndex))); + pdbxStructOperList.setMatrix21(String.valueOf(structOpers.getMatrix21().get(rowIndex))); + pdbxStructOperList.setMatrix22(String.valueOf(structOpers.getMatrix22().get(rowIndex))); + pdbxStructOperList.setMatrix23(String.valueOf(structOpers.getMatrix23().get(rowIndex))); + pdbxStructOperList.setMatrix31(String.valueOf(structOpers.getMatrix31().get(rowIndex))); + pdbxStructOperList.setMatrix32(String.valueOf(structOpers.getMatrix32().get(rowIndex))); + pdbxStructOperList.setMatrix33(String.valueOf(structOpers.getMatrix33().get(rowIndex))); + + pdbxStructOperList.setVector1(String.valueOf(structOpers.getVector1().get(rowIndex))); + pdbxStructOperList.setVector2(String.valueOf(structOpers.getVector2().get(rowIndex))); + pdbxStructOperList.setVector3(String.valueOf(structOpers.getVector3().get(rowIndex))); re.add(pdbxStructOperList); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java new file mode 100644 index 0000000000..7fe81d2d6b --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java @@ -0,0 +1,18 @@ +package org.biojava.nbio.structure.io.cif; + +import org.rcsb.cif.model.CifFile; + +/** + * Create a CifFile instance for a given container of structure data. + * @param the container type used as source + * @author Sebastian Bittrich + * @since 5.2.1 + */ +public interface CifFileSupplier { + /** + * Convert some model instance describing structure information to a CifFile instance. + * @param container the source of structure information + * @return a flat CifFile instance, ready for IO operations + */ + CifFile get(S container); +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java new file mode 100644 index 0000000000..f4b90ee88f --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java @@ -0,0 +1,17 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.Structure; +import org.rcsb.cif.model.CifFile; + +/** + * Convert a BioJava {@link Structure} to a CifFile. + * @author Sebastian Bittrich + * @since 5.2.1 + */ +public class CifFileSupplierImpl implements CifFileSupplier { + @Override + public CifFile get(Structure container) { + // TODO impl + return null; + } +} diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java index f486be0b46..c9bf201a20 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java @@ -1,7 +1,7 @@ package org.biojava.nbio.structure.io.cif; import org.biojava.nbio.structure.*; -import org.biojava.nbio.structure.io.CIFFileReader; +import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileParser; import org.junit.Test; @@ -70,7 +70,7 @@ private void comparePDB2cif(String id, String chainId) throws IOException { InputStream inStream = this.getClass().getResourceAsStream(fileName); assertNotNull("Could not find file " + fileName + ". Config problem?" , inStream); - CIFFileReader reader = new CIFFileReader(); + CifFileReader reader = new CifFileReader(); FileParsingParameters params = new FileParsingParameters(); params.setHeaderOnly(headerOnly); From 9f60663232f10b513c1f4a9a87dba1406ee361d9 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Wed, 24 Apr 2019 18:36:30 -0700 Subject: [PATCH 025/821] reading and writing of Cif/Bcif files, integration --- .../nbio/structure/align/util/AtomCache.java | 152 +++++++++--- .../nbio/structure/io/BcifFileReader.java | 59 +++++ .../nbio/structure/io/CifFileReader.java | 112 ++------- .../structure/io/cif/CifFileConsumer.java | 2 +- .../structure/io/cif/CifFileConsumerImpl.java | 18 +- .../structure/io/cif/CifFileConverter.java | 96 ++++++++ .../structure/io/cif/CifFileSupplier.java | 2 +- .../structure/io/cif/CifFileSupplierImpl.java | 225 +++++++++++++++++- .../io/cif/CifFileConsumerImplTest.java | 213 ++++++++++++++++- .../io/cif/CifFileSupplierImplTest.java | 185 ++++++++++++++ 10 files changed, 921 insertions(+), 143 deletions(-) create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java create mode 100644 biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java index 4b7ba3f0fc..a5760fa6d6 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java @@ -35,12 +35,9 @@ import org.biojava.nbio.structure.cath.CathFactory; import org.biojava.nbio.structure.domain.PDPProvider; import org.biojava.nbio.structure.domain.RemotePDPProvider; -import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.*; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; -import org.biojava.nbio.structure.io.MMCIFFileReader; -import org.biojava.nbio.structure.io.MMTFFileReader; -import org.biojava.nbio.structure.io.PDBFileReader; import org.biojava.nbio.core.util.FileDownloadUtils; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; @@ -96,8 +93,17 @@ public class AtomCache { private String path; - private boolean useMmCif; - private boolean useMmtf; + /** + * The format for structure data to use. + */ + private Format format; + enum Format { + PDB, + MMCIF, + MMTF, + CIF, + BCIF + } /** * Default AtomCache constructor. @@ -150,9 +156,7 @@ public AtomCache(String pdbFilePath, String cachePath) { currentlyLoading.clear(); params = new FileParsingParameters(); - setUseMmCif(false); setUseMmtf(true); - } /** @@ -165,11 +169,10 @@ public AtomCache(UserConfiguration config) { this(config.getPdbFilePath(), config.getCacheFilePath()); fetchBehavior = config.getFetchBehavior(); obsoleteBehavior = config.getObsoleteBehavior(); - useMmCif = config.getFileFormat().equals( UserConfiguration.MMCIF_FORMAT ); - - if ( useMmCif) - useMmtf = false; + if (config.getFileFormat().equals(UserConfiguration.MMCIF_FORMAT)) { + format = Format.MMCIF; + } } /** @@ -297,8 +300,7 @@ public Structure getBiologicalAssembly(String pdbId, int bioAssemblyId, boolean // if we use mmcif or mmtf, then we need to pass useAsymIds=true boolean useAsymIds = false; - if (useMmCif) useAsymIds = true; - if (useMmtf) useAsymIds = true; + if (format != Format.PDB) useAsymIds = true; return builder.rebuildQuaternaryStructure(asymUnit, transformations, useAsymIds, multiModel); } @@ -356,8 +358,7 @@ public Structure getBiologicalAssembly(String pdbId, boolean multiModel) throws // if we use mmcif or mmtf, then we need to pass useAsymIds=true boolean useAsymIds = false; - if (useMmCif) useAsymIds = true; - if (useMmtf) useAsymIds = true; + if (format != Format.PDB) useAsymIds = true; return builder.rebuildQuaternaryStructure(asymUnit, transformations, useAsymIds, multiModel); } @@ -409,8 +410,7 @@ public List getBiologicalAssemblies(String pdbId, boolean multiModel) // if we use mmcif or mmtf, then we need to pass useAsymIds=true boolean useAsymIds = false; - if (useMmCif) useAsymIds = true; - if (useMmtf) useAsymIds = true; + if (format != Format.PDB) useAsymIds = true; Structure s = builder.rebuildQuaternaryStructure(asymUnit, transformations, useAsymIds, multiModel); assemblies.add(s); } @@ -772,7 +772,7 @@ public void setPdpprovider(PDPProvider pdpprovider) { * @return the useMmCif */ public boolean isUseMmCif() { - return useMmCif; + return format == Format.MMCIF; } /** @@ -780,9 +780,9 @@ public boolean isUseMmCif() { * the useMmCif to set */ public void setUseMmCif(boolean useMmCif) { - this.useMmCif = useMmCif; - // Either way the user wants to use PDB or MMCIF - this.useMmtf = false; + if (useMmCif) { + this.format = Format.MMCIF; + } } /** @@ -790,11 +790,9 @@ public void setUseMmCif(boolean useMmCif) { * @param useMmtf the input boolean to set */ public void setUseMmtf(boolean useMmtf) { - this.useMmtf = useMmtf; - if(useMmtf){ - useMmCif=false; + if (useMmtf) { + this.format = Format.MMTF; } - } /** Returns useMmtf flag @@ -802,7 +800,61 @@ public void setUseMmtf(boolean useMmtf) { * @return true if will load data via mmtf file format */ public boolean isUseMmtf(){ - return this.useMmtf; + return this.format == Format.MMTF; + } + + /** + * The PDB flag. + * @return true if legacy PDB parsing will be employed + */ + public boolean isUsePdb() { + return this.format == Format.PDB; + } + + /** + * The experimental Bcif flag. + * @return true if experimental Bcif parsing will be employed + */ + public boolean isUseBcif() { + return this.format == Format.BCIF; + } + + /** + * The experimental Cif flag. + * @return true if experimental Cif parsing will be employed + */ + public boolean isUseCif() { + return this.format == Format.CIF; + } + + /** + * Use the experimental Bcif parser to acquire structure data. + * @param useBcif use? + */ + public void setUseBcif(boolean useBcif) { + if (useBcif) { + this.format = Format.BCIF; + } + } + + /** + * Use the experimental Cif parser to acquire structure data. + * @param useCif use? + */ + public void setUseCif(boolean useCif) { + if (useCif) { + this.format = Format.CIF; + } + } + + /** + * Use the legacy PDB format to acquire structure data. + * @param usePdb use? + */ + public void usePdb(boolean usePdb) { + if (usePdb) { + this.format = Format.PDB; + } } private boolean checkLoading(String name) { @@ -881,19 +933,25 @@ public Structure getStructureForPdbId(String pdbId) throws IOException, Structur } - Structure s; - if (useMmtf) { - logger.debug("loading from mmtf"); - s = loadStructureFromMmtfByPdbId(pdbId); - } - else if (useMmCif) { - logger.debug("loading from mmcif"); - s = loadStructureFromCifByPdbId(pdbId); - } else { - logger.debug("loading from pdb"); - s = loadStructureFromPdbByPdbId(pdbId); + switch (format) { + case MMTF: + logger.debug("loading from mmtf"); + return loadStructureFromMmtfByPdbId(pdbId); + case MMCIF: + logger.debug("loading from mmcif"); + return loadStructureFromCifByPdbId(pdbId); + case CIF: + logger.debug("loading from experimental cif"); + return loadStructureFromExperimentalCifByPdbId(pdbId); + case PDB: + logger.debug("loading from pdb"); + return loadStructureFromPdbByPdbId(pdbId); + case BCIF: + logger.debug("loading from bcif"); + return loadStructureFromBcifByPdbId(pdbId); + default: + throw new IllegalArgumentException("no strategy implemented for format " + format); } - return s; } /** @@ -911,6 +969,22 @@ private Structure loadStructureFromMmtfByPdbId(String pdbId) throws IOException return structure; } + private Structure loadStructureFromBcifByPdbId(String pdbId) throws IOException { + logger.debug("Loading structure {} from Bcif file.", pdbId); + BcifFileReader reader = new BcifFileReader(); + reader.setFetchBehavior(fetchBehavior); + reader.setObsoleteBehavior(obsoleteBehavior); + return reader.getStructureById(pdbId.toLowerCase()); + } + + private Structure loadStructureFromExperimentalCifByPdbId(String pdbId) throws IOException { + logger.debug("Loading structure {} experimentally from Cif file.", pdbId); + CifFileReader reader = new CifFileReader(); + reader.setFetchBehavior(fetchBehavior); + reader.setObsoleteBehavior(obsoleteBehavior); + return reader.getStructureById(pdbId.toLowerCase()); + } + protected Structure loadStructureFromCifByPdbId(String pdbId) throws IOException, StructureException { logger.debug("Loading structure {} from mmCIF file {}.", pdbId, path); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java new file mode 100644 index 0000000000..ae380188b8 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java @@ -0,0 +1,59 @@ +package org.biojava.nbio.structure.io; + +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.align.util.UserConfiguration; +import org.biojava.nbio.structure.io.cif.CifFileConverter; +import org.rcsb.cif.CifReader; + +import java.io.IOException; +import java.io.InputStream; + +/** + * Parse BcifFile instances and provide capabilities to store them locally. + * @author Sebastian Bittrich + * @since 5.2.1 + */ +public class BcifFileReader extends LocalPDBDirectory { + public static final String[] CIF_SPLIT_DIR = new String[] { "data", "structures", "divided", "bcif" }; + public static final String[] CIF_OBSOLETE_DIR = new String[] { "data", "structures", "obsolete", "bcif" }; + + /** + * Constructs a new CifFileReader, initializing the extensions member variable. + * The path is initialized in the same way as {@link UserConfiguration}, + * i.e. to system property/environment variable {@link UserConfiguration#PDB_DIR}. + * Both autoFetch and splitDir are initialized to false + */ + public BcifFileReader() { + this(null); + } + + /** + * Constructs a new PDBFileReader, initializing the extensions member variable. + * The path is initialized to the given path, both autoFetch and splitDir are initialized to false. + */ + public BcifFileReader(String path) { + super(path); + addExtension(".bcif"); + addExtension(".bcif.gz"); + } + + @Override + public Structure getStructure(InputStream inStream) throws IOException { + return CifFileConverter.convert(CifReader.parseBinary(inStream), getFileParsingParameters()); + } + + @Override + protected String getFilename(String pdbId) { + return pdbId.toLowerCase() + ".bcif.gz"; + } + + @Override + protected String[] getSplitDirPath() { + return CIF_SPLIT_DIR; + } + + @Override + protected String[] getObsoleteDirPath() { + return CIF_OBSOLETE_DIR; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java index 679ccb6e43..c372ab469c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java @@ -1,127 +1,61 @@ package org.biojava.nbio.structure.io; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.io.cif.CifFileConsumer; -import org.biojava.nbio.structure.io.cif.CifFileConsumerImpl; +import org.biojava.nbio.structure.align.util.UserConfiguration; +import org.biojava.nbio.structure.io.cif.CifFileConverter; import org.rcsb.cif.CifReader; -import org.rcsb.cif.model.Block; -import org.rcsb.cif.model.CifFile; import java.io.IOException; import java.io.InputStream; /** - * Parse CifFile instances and allow to store them locally. + * Parse CifFile instances and provide capabilities to store them locally. * @author Sebastian Bittrich * @since 5.2.1 */ public class CifFileReader extends LocalPDBDirectory { - // TODO paths are meaningless for now - public static final String[] BCIF_SPLIT_DIR = new String[] { "data", "structures", "divided", "bcif" }; - public static final String[] BCIF_OBSOLETE_DIR = new String[] { "data", "structures", "obsolete", "bcif" }; - + public static final String[] CIF_SPLIT_DIR = new String[] { "data", "structures", "divided", "mmCIF" }; + public static final String[] CIF_OBSOLETE_DIR = new String[] { "data", "structures", "obsolete", "mmCIF" }; + + /** + * Constructs a new CifFileReader, initializing the extensions member variable. + * The path is initialized in the same way as {@link UserConfiguration}, + * i.e. to system property/environment variable {@link UserConfiguration#PDB_DIR}. + * Both autoFetch and splitDir are initialized to false + */ public CifFileReader() { this(null); } + /** + * Constructs a new PDBFileReader, initializing the extensions member variable. + * The path is initialized to the given path, both autoFetch and splitDir are initialized to false. + */ public CifFileReader(String path) { super(path); - // TODO addExtension(".cif"); + addExtension(".mmcif"); addExtension(".cif.gz"); - addExtension(".bcif"); - addExtension(".bcif.gz"); + addExtension(".mmcif.gz"); } @Override - public Structure getStructure(InputStream inStream) throws IOException { - return read(inStream); + public Structure getStructure(InputStream inStream) throws IOException{ + return CifFileConverter.convert(CifReader.parseText(inStream), getFileParsingParameters()); } @Override protected String getFilename(String pdbId) { - // TODO - return pdbId.toLowerCase() + ".bcif.gz"; + return pdbId.toLowerCase() + ".cif.gz"; } @Override protected String[] getSplitDirPath() { - // TODO - return BCIF_SPLIT_DIR; + return CIF_SPLIT_DIR; } @Override protected String[] getObsoleteDirPath() { - // TODO - return BCIF_OBSOLETE_DIR; - } - - private Structure read(InputStream inputStream) throws IOException { - // TODO allow to switch dynamically between text and binary? - // obtain the decoded, flat representation of the input - return read(CifReader.parseBinary(inputStream)); - } - - private Structure read(CifFile cifFile) { - // initialize consumer - CifFileConsumer consumer = new CifFileConsumerImpl(getFileParsingParameters()); - - // init structure - consumer.prepare(); - - // feed individual categories to consumer - Block cifBlock = cifFile.getBlocks().get(0); - - // TODO maybe integrate rogue categories into Cif schema - consumer.consumeAuditAuthor(cifBlock.getCategory("audit_author")); - consumer.consumeAtomSite(cifBlock.getAtomSite()); - consumer.consumeAtomSites(cifBlock.getAtomSites()); - consumer.consumeCell(cifBlock.getCell()); - consumer.consumeChemComp(cifBlock.getChemComp()); - consumer.consumeChemCompBond(cifBlock.getChemCompBond()); - consumer.consumeDatabasePDBremark(cifBlock.getCategory("database_PDB_remark")); - consumer.consumeDatabasePDBrev(cifBlock.getCategory("database_PDB_rev")); - consumer.consumeDatabasePDBrevRecord(cifBlock.getCategory("database_PDB_rev_record")); - consumer.consumeEntity(cifBlock.getEntity()); - consumer.consumeEntityPoly(cifBlock.getEntityPoly()); - consumer.consumeEntitySrcGen(cifBlock.getCategory("entity_src_gen")); - consumer.consumeEntitySrcNat(cifBlock.getCategory("entity_src_nat")); - consumer.consumeEntitySrcSyn(cifBlock.getCategory("entity_src_syn")); - consumer.consumeEntityPolySeq(cifBlock.getEntityPolySeq()); - consumer.consumeExptl(cifBlock.getExptl()); - consumer.consumePdbxAuditRevisionHistory(cifBlock.getCategory("pdbx_audit_revision_history")); - consumer.consumePdbxChemCompIdentifier(cifBlock.getPdbxChemCompIdentifier()); - consumer.consumePdbxDatabaseStatus(cifBlock.getCategory("pdbx_database_status")); - consumer.consumePdbxEntityDescriptor(cifBlock.getPdbxEntityDescriptor()); - consumer.consumePdbxMolecule(cifBlock.getPdbxMolecule()); - consumer.consumePdbxMoleculeFeatures(cifBlock.getPdbxMoleculeFeatures()); - consumer.consumePdbxNonpolyScheme(cifBlock.getPdbxNonpolyScheme()); - consumer.consumePdbxReferenceEntityLink(cifBlock.getPdbxReferenceEntityLink()); - consumer.consumePdbxReferenceEntityList(cifBlock.getPdbxReferenceEntityList()); - consumer.consumePdbxReferenceEntityPolyLink(cifBlock.getPdbxReferenceEntityPolyLink()); - consumer.consumePdbxStructAssembly(cifBlock.getPdbxStructAssembly()); - consumer.consumePdbxStructAssemblyGen(cifBlock.getPdbxStructAssemblyGen()); - consumer.consumePdbxStructModResidue(cifBlock.getPdbxStructModResidue()); - consumer.consumePdbxStructOperList(cifBlock.getPdbxStructOperList()); - consumer.consumeRefine(cifBlock.getCategory("refine")); - consumer.consumeStruct(cifBlock.getStruct()); - consumer.consumeStructAsym(cifBlock.getStructAsym()); - consumer.consumeStructConf(cifBlock.getStructConf()); - consumer.consumeStructConn(cifBlock.getStructConn()); - consumer.consumeStructConnType(cifBlock.getStructConnType()); - consumer.consumeStructKeywords(cifBlock.getStructKeywords()); - consumer.consumeStructNcsOper(cifBlock.getStructNcsOper()); - consumer.consumeStructRef(cifBlock.getCategory("struct_ref")); - consumer.consumeStructRefSeq(cifBlock.getCategory("struct_ref_seq")); - consumer.consumeStructRefSeqDif(cifBlock.getCategory("struct_ref_seq_dif")); - consumer.consumeStructSheetRange(cifBlock.getStructSheetRange()); - consumer.consumeStructSite(cifBlock.getStructSite()); - consumer.consumeStructSiteGen(cifBlock.getStructSiteGen()); - consumer.consumeSymmetry(cifBlock.getSymmetry()); - - // prepare structure to be retrieved - consumer.finish(); - - return consumer.getContainer(); + return CIF_OBSOLETE_DIR; } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java index 68cc62996c..327c5c2139 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java @@ -41,7 +41,7 @@ * @author Sebastian Bittrich * @since 5.2.1 */ -public interface CifFileConsumer { +interface CifFileConsumer { /** * Setup routine which initializes a new container. */ diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 38fea3bf81..dc2018633a 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -64,7 +64,7 @@ * @author Sebastian Bittrich * @since 5.2.1 */ -public class CifFileConsumerImpl implements CifFileConsumer { +class CifFileConsumerImpl implements CifFileConsumer { private static final Logger logger = LoggerFactory.getLogger(CifFileConsumerImpl.class); private static final SimpleDateFormat DATE_FORMAT = new SimpleDateFormat("yyyy-MM-dd", Locale.US); @@ -402,6 +402,11 @@ private Group createGroup(String record, Character oneLetterCode, String threeLe @Override public void consumeAtomSites(AtomSites atomSites) { + // no atom sites present + if (!atomSites.isDefined() || atomSites.getRowCount() == 0) { + return; + } + try { parsedScaleMatrix = new Matrix4d( atomSites.getFractTransfMatrix11().get(), @@ -472,7 +477,7 @@ public void consumeAuditAuthor(Category auditAuthor) { @Override public void consumeCell(Cell cell) { - if (!cell.isDefined()) { + if (!cell.isDefined() || cell.getRowCount() == 0) { return; } @@ -855,8 +860,13 @@ public void consumeRefine(Category refine) { @Override public void consumeStruct(Struct struct) { - pdbHeader.setTitle(struct.getTitle().get()); - pdbHeader.setIdCode(struct.getEntryId().get()); + if (struct.isDefined() && struct.getTitle().isDefined()) { + pdbHeader.setTitle(struct.getTitle().get()); + } + + if (struct.isDefined() && struct.getEntryId().isDefined()) { + pdbHeader.setIdCode(struct.getEntryId().get()); + } } @Override diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java new file mode 100644 index 0000000000..03ada1fa9c --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java @@ -0,0 +1,96 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.io.FileParsingParameters; +import org.rcsb.cif.model.Block; +import org.rcsb.cif.model.CifFile; + +/** + * Convert BioJava structures to CifFiles and vice versa. + */ +public class CifFileConverter { + /** + * @see CifFileConverter#convert(CifFile, FileParsingParameters) + */ + public static Structure convert(CifFile cifFile) { + return convert(cifFile, new FileParsingParameters()); + } + + /** + * Convert CifFile to Structure. + * @param cifFile the source + * @param parameters parameters for parsing + * @return the target + */ + public static Structure convert(CifFile cifFile, FileParsingParameters parameters) { + // initialize consumer + CifFileConsumer consumer = new CifFileConsumerImpl(parameters); + + // init structure + consumer.prepare(); + + // feed individual categories to consumer + Block cifBlock = cifFile.getBlocks().get(0); + + // TODO maybe integrate rogue categories into Cif schema + consumer.consumeAuditAuthor(cifBlock.getCategory("audit_author")); + consumer.consumeAtomSite(cifBlock.getAtomSite()); + consumer.consumeAtomSites(cifBlock.getAtomSites()); + consumer.consumeCell(cifBlock.getCell()); + consumer.consumeChemComp(cifBlock.getChemComp()); + consumer.consumeChemCompBond(cifBlock.getChemCompBond()); + consumer.consumeDatabasePDBremark(cifBlock.getCategory("database_PDB_remark")); + consumer.consumeDatabasePDBrev(cifBlock.getCategory("database_PDB_rev")); + consumer.consumeDatabasePDBrevRecord(cifBlock.getCategory("database_PDB_rev_record")); + consumer.consumeEntity(cifBlock.getEntity()); + consumer.consumeEntityPoly(cifBlock.getEntityPoly()); + consumer.consumeEntitySrcGen(cifBlock.getCategory("entity_src_gen")); + consumer.consumeEntitySrcNat(cifBlock.getCategory("entity_src_nat")); + consumer.consumeEntitySrcSyn(cifBlock.getCategory("entity_src_syn")); + consumer.consumeEntityPolySeq(cifBlock.getEntityPolySeq()); + consumer.consumeExptl(cifBlock.getExptl()); + consumer.consumePdbxAuditRevisionHistory(cifBlock.getCategory("pdbx_audit_revision_history")); + consumer.consumePdbxChemCompIdentifier(cifBlock.getPdbxChemCompIdentifier()); + consumer.consumePdbxDatabaseStatus(cifBlock.getCategory("pdbx_database_status")); + consumer.consumePdbxEntityDescriptor(cifBlock.getPdbxEntityDescriptor()); + consumer.consumePdbxMolecule(cifBlock.getPdbxMolecule()); + consumer.consumePdbxMoleculeFeatures(cifBlock.getPdbxMoleculeFeatures()); + consumer.consumePdbxNonpolyScheme(cifBlock.getPdbxNonpolyScheme()); + consumer.consumePdbxReferenceEntityLink(cifBlock.getPdbxReferenceEntityLink()); + consumer.consumePdbxReferenceEntityList(cifBlock.getPdbxReferenceEntityList()); + consumer.consumePdbxReferenceEntityPolyLink(cifBlock.getPdbxReferenceEntityPolyLink()); + consumer.consumePdbxStructAssembly(cifBlock.getPdbxStructAssembly()); + consumer.consumePdbxStructAssemblyGen(cifBlock.getPdbxStructAssemblyGen()); + consumer.consumePdbxStructModResidue(cifBlock.getPdbxStructModResidue()); + consumer.consumePdbxStructOperList(cifBlock.getPdbxStructOperList()); + consumer.consumeRefine(cifBlock.getCategory("refine")); + consumer.consumeStruct(cifBlock.getStruct()); + consumer.consumeStructAsym(cifBlock.getStructAsym()); + consumer.consumeStructConf(cifBlock.getStructConf()); + consumer.consumeStructConn(cifBlock.getStructConn()); + consumer.consumeStructConnType(cifBlock.getStructConnType()); + consumer.consumeStructKeywords(cifBlock.getStructKeywords()); + consumer.consumeStructNcsOper(cifBlock.getStructNcsOper()); + consumer.consumeStructRef(cifBlock.getCategory("struct_ref")); + consumer.consumeStructRefSeq(cifBlock.getCategory("struct_ref_seq")); + consumer.consumeStructRefSeqDif(cifBlock.getCategory("struct_ref_seq_dif")); + consumer.consumeStructSheetRange(cifBlock.getStructSheetRange()); + consumer.consumeStructSite(cifBlock.getStructSite()); + consumer.consumeStructSiteGen(cifBlock.getStructSiteGen()); + consumer.consumeSymmetry(cifBlock.getSymmetry()); + + // prepare structure to be retrieved + consumer.finish(); + + return consumer.getContainer(); + } + + /** + * Convert Structure to CifFile. + * @param structure the source + * @return the target + */ + public static CifFile convert(Structure structure) { + return new CifFileSupplierImpl().get(structure); + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java index 7fe81d2d6b..20c20062d7 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java @@ -8,7 +8,7 @@ * @author Sebastian Bittrich * @since 5.2.1 */ -public interface CifFileSupplier { +interface CifFileSupplier { /** * Convert some model instance describing structure information to a CifFile instance. * @param container the source of structure information diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java index f4b90ee88f..d55b8dad89 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java @@ -1,17 +1,232 @@ package org.biojava.nbio.structure.io.cif; -import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.*; +import org.biojava.nbio.structure.xtal.CrystalCell; +import org.biojava.nbio.structure.xtal.SpaceGroup; +import org.rcsb.cif.model.Block; +import org.rcsb.cif.model.Category; import org.rcsb.cif.model.CifFile; +import org.rcsb.cif.model.Column; +import org.rcsb.cif.model.atomsite.AtomSite; + +import java.util.Collection; +import java.util.LinkedHashMap; +import java.util.Map; +import java.util.function.Consumer; +import java.util.stream.Collector; /** * Convert a BioJava {@link Structure} to a CifFile. * @author Sebastian Bittrich * @since 5.2.1 */ -public class CifFileSupplierImpl implements CifFileSupplier { +class CifFileSupplierImpl implements CifFileSupplier { @Override - public CifFile get(Structure container) { - // TODO impl - return null; + public CifFile get(Structure structure) { + // for now BioJava only considered 3 categories for create a Cif representation of a structure + + // cell + CrystalCell crystalCell = structure.getPDBHeader().getCrystallographicInfo().getCrystalCell(); + // symmetry + SpaceGroup spaceGroup = structure.getPDBHeader().getCrystallographicInfo().getSpaceGroup(); + // atom_site + AtomSite atomSite = structure.getChains() + .stream() + .map(Chain::getAtomGroups) + .flatMap(Collection::stream) + .map(Group::getAtoms) + .flatMap(Collection::stream) + .collect(toAtomSite()); + + Block.BlockBuilder blockBuilder = CifFile.enterFile() + .enterBlock(structure.getPDBCode()); + + if (atomSite.isDefined() && atomSite.getRowCount() > 0) { + // set atom site + blockBuilder.addCategory(atomSite); + } + + if (crystalCell != null) { + // set cell category + blockBuilder.enterCategory("cell") + .enterColumn("length_a") + .floatValues(crystalCell.getA()) + .leaveColumn() + + .enterColumn("length_b") + .floatValues(crystalCell.getB()) + .leaveColumn() + + .enterColumn("length_c") + .floatValues(crystalCell.getC()) + .leaveColumn() + + .enterColumn("angle_alpha") + .floatValues(crystalCell.getAlpha()) + .leaveColumn() + + .enterColumn("angle_beta") + .floatValues(crystalCell.getBeta()) + .leaveColumn() + + .enterColumn("angle_gamma") + .floatValues(crystalCell.getGamma()) + .leaveColumn() + .leaveCategory(); + } + + if (spaceGroup != null) { + // set symmetry category + blockBuilder.enterCategory("symmetry") + .enterColumn("space_group_name_H-M") + .stringValues(spaceGroup.getShortSymbol()) + .leaveColumn() + .leaveCategory(); + } + + return blockBuilder.leaveBlock().leaveFile(); + } + + private static Collector toAtomSite() { + return Collector.of(AtomSiteCollector::new, + AtomSiteCollector::accept, + AtomSiteCollector::combine, + AtomSiteCollector::get); + } + + static class AtomSiteCollector implements Consumer { + private final Column.StrColumnBuilder groupPDB; + private final Column.IntColumnBuilder id; + private final Column.StrColumnBuilder typeSymbol; + private final Column.StrColumnBuilder labelAtomId; + private final Column.StrColumnBuilder labelAltId; + private final Column.StrColumnBuilder labelCompId; + private final Column.StrColumnBuilder labelAsymId; + private final Column.StrColumnBuilder labelEntityId; + private final Column.IntColumnBuilder labelSeqId; + private final Column.StrColumnBuilder pdbxPDBInsCode; + private final Column.FloatColumnBuilder cartnX; + private final Column.FloatColumnBuilder cartnY; + private final Column.FloatColumnBuilder cartnZ; + private final Column.FloatColumnBuilder occupancy; + private final Column.FloatColumnBuilder bIsoOrEquiv; + private final Column.IntColumnBuilder authSeqId; + private final Column.StrColumnBuilder authCompId; + private final Column.StrColumnBuilder authAsymId; + private final Column.StrColumnBuilder authAtomId; + private final Column.IntColumnBuilder pdbxPDBModelNum; + private int atomId = 1; + + AtomSiteCollector() { + this.groupPDB = Column.enterStrColumn("group_PDB"); + this.id = Column.enterIntColumn("id"); + this.typeSymbol = Column.enterStrColumn("type_symbol"); + this.labelAtomId = Column.enterStrColumn("label_atom_id"); + this.labelAltId = Column.enterStrColumn("label_alt_id"); + this.labelCompId = Column.enterStrColumn("label_comp_id"); + this.labelAsymId = Column.enterStrColumn("label_asym_id"); + this.labelEntityId = Column.enterStrColumn("label_entity_id"); + this.labelSeqId = Column.enterIntColumn("label_seq_id"); + this.pdbxPDBInsCode = Column.enterStrColumn("pdbx_PDB_ins_code"); + this.cartnX = Column.enterFloatColumn("Cartn_x"); + this.cartnY = Column.enterFloatColumn("Cartn_y"); + this.cartnZ = Column.enterFloatColumn("Cartn_z"); + this.occupancy = Column.enterFloatColumn("occupancy"); + this.bIsoOrEquiv = Column.enterFloatColumn("B_iso_or_equiv"); + this.authSeqId = Column.enterIntColumn("auth_seq_id"); + this.authCompId = Column.enterStrColumn("auth_comp_id"); + this.authAsymId = Column.enterStrColumn("auth_asym_id"); + this.authAtomId = Column.enterStrColumn("auth_atom_id"); + this.pdbxPDBModelNum = Column.enterIntColumn("pdbx_PDB_model_num"); + } + + @Override + public void accept(Atom atom) { + Group group = atom.getGroup(); + Chain chain = group.getChain(); + + groupPDB.stringValues(group.getType().equals(GroupType.HETATM) ? "HETATM" : "ATOM"); + id.intValues(atomId); + Element element = atom.getElement(); + typeSymbol.stringValues(element.equals(Element.R) ? "X" : element.toString().toUpperCase()); + labelAtomId.stringValues(atom.getName()); + Character altLoc = atom.getAltLoc(); + if (altLoc == null || altLoc == ' ') { + labelAltId.markNextNotPresent(); + } else { + labelAltId.stringValues(String.valueOf(altLoc)); + } + labelCompId.stringValues(group.getPDBName()); + labelAsymId.stringValues(chain.getId()); + String entityId = "0"; + int seqId = group.getResidueNumber().getSeqNum(); + if (chain.getEntityInfo() != null) { + entityId = Integer.toString(chain.getEntityInfo().getMolId()); + if (chain.getEntityInfo().getType() == EntityType.POLYMER) { + // this only makes sense for polymeric chains, non-polymer chains will never have seqres groups and there's no point in calling getAlignedResIndex + seqId = chain.getEntityInfo().getAlignedResIndex(group, chain); + } + } + labelEntityId.stringValues(entityId); + labelSeqId.intValues(seqId); + String insCode = ""; + if (group.getResidueNumber().getInsCode() != null ) { + insCode = Character.toString(group.getResidueNumber().getInsCode()); + } + if (insCode.isEmpty()) { + pdbxPDBInsCode.markNextUnknown(); + } else { + pdbxPDBInsCode.stringValues(insCode); + } + cartnX.floatValues(atom.getX()); + cartnY.floatValues(atom.getY()); + cartnZ.floatValues(atom.getZ()); + occupancy.floatValues(atom.getOccupancy()); + bIsoOrEquiv.floatValues(atom.getTempFactor()); + authSeqId.intValues(group.getResidueNumber().getSeqNum()); + authCompId.stringValues(group.getPDBName()); + authAsymId.stringValues(chain.getId()); + authAtomId.stringValues(atom.getName()); + pdbxPDBModelNum.intValues(1); + + // TODO respect symmetry + atomId++; + } + + AtomSiteCollector combine(AtomSiteCollector other) { + throw new UnsupportedOperationException("impl by calling addAll for all collection - not feeling like writing that code"); + } + + @SuppressWarnings("Duplicates") + AtomSite get() { + Map columns = new LinkedHashMap<>(); + put(columns, groupPDB.build()); + put(columns, groupPDB.build()); + put(columns, id.build()); + put(columns, typeSymbol.build()); + put(columns, labelAtomId.build()); + put(columns, labelAltId.build()); + put(columns, labelCompId.build()); + put(columns, labelAsymId.build()); + put(columns, labelEntityId.build()); + put(columns, labelSeqId.build()); + put(columns, pdbxPDBInsCode.build()); + put(columns, cartnX.build()); + put(columns, cartnY.build()); + put(columns, cartnZ.build()); + put(columns, occupancy.build()); + put(columns, bIsoOrEquiv.build()); + put(columns, authSeqId.build()); + put(columns, authCompId.build()); + put(columns, authAsymId.build()); + put(columns, authAtomId.build()); + put(columns, pdbxPDBModelNum.build()); + + return (AtomSite) Category.enterCategory("atom_site", columns, null).build(); + } + + private void put(Map columns, Column column) { + columns.put(column.getColumnName(), column); + } } } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java index c9bf201a20..fd28acb0c7 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java @@ -1,20 +1,225 @@ package org.biojava.nbio.structure.io.cif; import org.biojava.nbio.structure.*; -import org.biojava.nbio.structure.io.CifFileReader; -import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.PDBFileParser; +import org.biojava.nbio.structure.io.*; import org.junit.Test; +import org.rcsb.cif.CifReader; +import org.rcsb.cif.model.CifFile; +import org.rcsb.cif.model.Column; +import org.rcsb.cif.model.ValueKind; +import java.io.ByteArrayInputStream; import java.io.IOException; import java.io.InputStream; +import java.text.ParseException; +import java.text.SimpleDateFormat; +import java.util.Date; import java.util.List; +import java.util.Locale; +import java.util.Objects; +import java.util.zip.GZIPInputStream; import static org.junit.Assert.*; public class CifFileConsumerImplTest { // TODO use test resources provided by integration-test module + /** + * Test parsing dates from MMCIF file version 4. + */ + @Test + public void testDatesV4() throws IOException, ParseException { + InputStream inputStream = getClass().getResourceAsStream("org/biojava/nbio/structure/io/mmcif/1stp_v4.cif"); + Objects.requireNonNull(inputStream, "could not acquire test resource org/biojava/nbio/structure/io/mmcif/1stp_v4.cif"); + Structure s = new CifFileReader().getStructure(inputStream); + + SimpleDateFormat dateFormat = new SimpleDateFormat("yyyy-MM-dd", Locale.US); + + Date modDate = dateFormat.parse("2011-07-13"); + assertEquals(modDate, s.getPDBHeader().getModDate()); + + Date releaseDate = dateFormat.parse("1992-10-15"); + assertEquals(releaseDate, s.getPDBHeader().getRelDate()); + + Date depositionDate = dateFormat.parse("1992-03-12"); + assertEquals(depositionDate, s.getPDBHeader().getDepDate()); + } + + /** + * Test parsing dates from MMCIF file version 5. + */ + @Test + public void testDatesV5() throws IOException, ParseException { + InputStream inputStream = getClass().getResourceAsStream("org/biojava/nbio/structure/io/mmcif/1stp_v5.cif"); + Objects.requireNonNull(inputStream, "could not acquire test resource org/biojava/nbio/structure/io/mmcif/1stp_v5.cif"); + Structure s = new CifFileReader().getStructure(inputStream); + + SimpleDateFormat dateFormat = new SimpleDateFormat("yyyy-MM-dd", Locale.US); + + Date modDate = dateFormat.parse("2011-07-13"); + assertEquals(modDate, s.getPDBHeader().getModDate()); + + Date releaseDate = dateFormat.parse("1992-10-15"); + assertEquals(releaseDate, s.getPDBHeader().getRelDate()); + + Date depositionDate = dateFormat.parse("1992-03-12"); + assertEquals(depositionDate, s.getPDBHeader().getDepDate()); + + + } + + /** + * A test for reading a phenix-produced (ver 1.9_1692) mmCIF file. This is the file submitted to the PDB for + * deposition of entry 4lup - See github issue #234 + * @throws IOException propagated + */ + @Test + public void testPhenixCifFile() throws IOException { + InputStream inputStream = new GZIPInputStream(getClass().getResourceAsStream("/org/biojava/nbio/structure/io/4lup_phenix_output.cif.gz")); + + Structure structure = new CifFileReader().getStructure(inputStream); + + assertNotNull(structure); + assertTrue(structure.isCrystallographic()); + + // all ligands are into their own chains, so we have 2 proteins, 2 nucleotide chains, 1 ligand chain and 1 purely water chain + assertEquals(6, structure.getChains().size()); + + // 4 entities: 1 protein, 1 nucleotide, 1 water, 1 ligand (EDO) + assertEquals(4, structure.getEntityInfos().size()); + int[] counts = countEntityTypes(structure.getEntityInfos()); + assertEquals(2, counts[0]); + assertEquals(1, counts[1]); + assertEquals(1, counts[2]); + } + + /** + * This test represents a common situation for a non-deposited structure. + * When building with common crystallography software, the user often adds new + * ligands (or solvent) molecules as new chains. Only prior to deposition + * then relabel them so that they belong to the same chain as the polymeric residues. + * + * In this case, the ligands represent valuable information and should not be discarded. + */ + @Test + public void testNewLigandChain() throws IOException { + // Test the file parsing speed when the files are already downloaded. + InputStream pdbStream = new GZIPInputStream(getClass().getResourceAsStream("/ligandTest.pdb.gz")); + InputStream cifStream = new GZIPInputStream(getClass().getResourceAsStream("/ligandTest.cif.gz")); + + assertNotNull(cifStream); + assertNotNull(pdbStream); + + FileParsingParameters params = new FileParsingParameters(); + PDBFileParser pdbpars = new PDBFileParser(); + pdbpars.setFileParsingParameters(params); + Structure s1 = pdbpars.parsePDBFile(pdbStream) ; + + // The chain B should be present with 1 ligand HEM + Chain c1 = s1.getNonPolyChainsByPDB("B").get(0); + assertNotNull(c1); + + int expectedNumLigands = 1; + assertEquals(expectedNumLigands, c1.getAtomGroups().size()); + + Structure s2 = new CifFileReader().getStructure(cifStream); + + // The chain B should be present with 1 ligand HEM + Chain c2 = s2.getNonPolyChainsByPDB("B").get(0); + assertNotNull(c2); + assertEquals(expectedNumLigands, c2.getAtomGroups().size()); + + // pdb and mmcif should have same number of chains + assertEquals(s1.getChains().size(), s2.getChains().size()); + } + + @Test + public void testWaterOnlyChainCif() throws IOException { + + // following file is cut-down versions of 4a10 + InputStream cifStream = new GZIPInputStream(getClass().getResourceAsStream("/org/biojava/nbio/structure/io/4a10_short.cif.gz")); + + Structure s2 = new CifFileReader().getStructure(cifStream); + + assertEquals(2, s2.getChains().size()); + + Chain c = s2.getWaterChainByPDB("F"); + + assertNotNull("Got null when looking for water-only chain with author id F", c); + assertTrue(c.getAtomGroups().size() > 0); + + // checking that compounds are linked + assertNotNull(c.getEntityInfo()); + + // checking that the water molecule was assigned an ad-hoc compound + assertEquals(2, s2.getEntityInfos().size()); + + Chain cAsymId = s2.getWaterChain("E"); + assertNotNull("Got null when looking for water-only chain with asym id E", cAsymId); + assertTrue(cAsymId.getAtomGroups().size() > 0); + assertSame(c, cAsymId); + } + + private static int[] countEntityTypes(List entities) { + int countPoly = 0; + int countNonPoly = 0; + int countWater = 0; + for (EntityInfo e : entities) { + if (e.getType() == EntityType.POLYMER) { + countPoly++; + } + if (e.getType() == EntityType.NONPOLYMER) { + countNonPoly++; + } + if (e.getType() == EntityType.WATER) { + countWater++; + } + } + return new int[] { countPoly, countNonPoly, countWater }; + } + + /** + * This tests for cases where dots appear in integer fields. Unusual but it happens in some PDB entries like 1s32. + * See issue https://github.com/biojava/biojava/issues/368 + */ + @Test + public void specialCases() throws IOException { + // taken from 1s32 + String mmcifStr = + "data_\n" + + "loop_\n" + + "_struct_ref_seq_dif.align_id\n" + + "_struct_ref_seq_dif.pdbx_pdb_id_code\n"+ + "_struct_ref_seq_dif.mon_id\n"+ + "_struct_ref_seq_dif.pdbx_pdb_strand_id\n"+ + "_struct_ref_seq_dif.seq_num\n"+ // integer field that contains '.' + "_struct_ref_seq_dif.pdbx_seq_db_name\n"+ + "_struct_ref_seq_dif.pdbx_seq_db_accession_code\n"+ + "_struct_ref_seq_dif.db_mon_id\n"+ + "_struct_ref_seq_dif.pdbx_seq_db_seq_num\n"+ + "_struct_ref_seq_dif.details\n"+ + "_struct_ref_seq_dif.pdbx_auth_seq_num\n"+ + "_struct_ref_seq_dif.pdbx_pdb_ins_code\n"+ + "_struct_ref_seq_dif.pdbx_ordinal\n"+ + "1 1S32 . A . GB 30268544 MET 1 'INTIATING METHIONINE' ? ? 1\n"+ + "2 1S32 . E . GB 30268544 MET 1 'INTIATING METHIONINE' ? ? 2\n"+ + "3 1S32 . B . UNP P02304 MET 0 'INTIATING METHIONINE' ? ? 3\n"+ + "4 1S32 . F . UNP P02304 MET 0 'INTIATING METHIONINE' ? ? 4\n"+ + "5 1S32 . C . GB 30268540 MET 1 'INTIATING METHIONINE' ? ? 5\n"+ + "6 1S32 . G . GB 30268540 MET 1 'INTIATING METHIONINE' ? ? 6\n"+ + "7 1S32 . D . GB 30268542 MET 1 'INTIATING METHIONINE' ? ? 7\n"+ + "8 1S32 . H . GB 30268542 MET 1 'INTIATING METHIONINE' ? ? 8\n" + + "#" ; + CifFile cifFile = CifReader.parseText(new ByteArrayInputStream(mmcifStr.getBytes())); + Column column = cifFile.getFirstBlock().getCategory("struct_ref_seq_dif").getColumn("seq_num"); + + assertNotNull(column); + assertTrue(column.isDefined()); + assertEquals(8, column.getRowCount()); + column.valueKinds().forEach(vk -> assertEquals(ValueKind.NOT_PRESENT, vk)); + column.getStringData().forEach(sd -> assertTrue(sd.isEmpty())); + } + private static boolean headerOnly; private static boolean binary; @@ -70,7 +275,7 @@ private void comparePDB2cif(String id, String chainId) throws IOException { InputStream inStream = this.getClass().getResourceAsStream(fileName); assertNotNull("Could not find file " + fileName + ". Config problem?" , inStream); - CifFileReader reader = new CifFileReader(); + LocalPDBDirectory reader = binary ? new BcifFileReader() : new CifFileReader(); FileParsingParameters params = new FileParsingParameters(); params.setHeaderOnly(headerOnly); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java new file mode 100644 index 0000000000..5ea8370e89 --- /dev/null +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java @@ -0,0 +1,185 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.*; +import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.io.FileParsingParameters; +import org.junit.Test; +import org.rcsb.cif.text.TextCifReader; +import org.rcsb.cif.text.TextCifWriter; + +import java.io.File; +import java.io.FileWriter; +import java.io.IOException; +import java.nio.file.Files; +import java.util.Arrays; + +import static org.junit.Assert.*; + +public class CifFileSupplierImplTest { + @Test + public void test1SMT() throws IOException, StructureException { + // an x-ray structure + testRoundTrip("1SMT"); + } + + /** + * MMCIF write test for an NMR structure with 2 chains + * @throws IOException propagated + */ + @Test + public void test2N3J() throws IOException, StructureException { + // an NMR structure (multimodel) with 2 chains + testRoundTrip("2N3J"); + } + + @Test + public void test1A2C() throws IOException, StructureException { + // a structure with insertion codes + testRoundTrip("1A2C"); + } + + private static void testRoundTrip(String pdbId) throws IOException, StructureException { + AtomCache cache = new AtomCache(); + + StructureIO.setAtomCache(cache); + + cache.setUseCif(true); + + FileParsingParameters params = new FileParsingParameters(); + params.setAlignSeqRes(true); + cache.setFileParsingParams(params); + + assertTrue(StructureIO.getAtomCache().isUseCif()); + Structure originalStruct = StructureIO.getStructure(pdbId); + + File outputFile = File.createTempFile("biojava_testing_", ".cif"); + outputFile.deleteOnExit(); + + FileWriter fw = new FileWriter(outputFile); + String cif = new TextCifWriter().compose(CifFileConverter.convert(originalStruct)); + fw.write(cif); + fw.close(); + + Structure readStruct = CifFileConverter.convert(new TextCifReader().parse(Files.newInputStream(outputFile.toPath()))); + + assertNotNull(readStruct); + assertEquals(originalStruct.getChains().size(), readStruct.getChains().size()); + assertEquals(originalStruct.nrModels(), readStruct.nrModels()); + + for (int i = 0; i < originalStruct.nrModels(); i++) { + assertEquals(originalStruct.getModel(i).size(), readStruct.getModel(i).size()); + } + + for (int modelIdx = 0; modelIdx < originalStruct.nrModels(); modelIdx++) { + for (int i = 0; i < originalStruct.getModel(modelIdx).size(); i++) { + assertEquals(originalStruct.getChains().get(i).getAtomGroups().size(), + readStruct.getChains().get(i).getAtomGroups().size()); + + Chain origChain = originalStruct.getModel(modelIdx).get(i); + Chain readChain = readStruct.getModel(modelIdx).get(i); + + assertEquals(origChain.getAtomGroups().size(), readChain.getAtomGroups().size()); + assertEquals(origChain.getId(), readChain.getId()); + assertEquals(origChain.getName(), readChain.getName()); + + Atom[] origAtoms = StructureTools.getAllAtomArray(origChain); + Atom[] readAtoms = StructureTools.getAllAtomArray(readChain); + + assertEquals(origAtoms.length, readAtoms.length); + + for (int atomIdx = 0; atomIdx < origAtoms.length; atomIdx++) { + assertEquals("atom serials don't match for atom " + origAtoms[atomIdx].toString(), + origAtoms[atomIdx].getPDBserial(), readAtoms[atomIdx].getPDBserial()); + + assertEquals("atom names don't match for atom " + origAtoms[atomIdx].toString(), + origAtoms[atomIdx].getName(), readAtoms[atomIdx].getName()); + + assertEquals("atom elements don't match for atom " + origAtoms[atomIdx].toString(), + origAtoms[atomIdx].getElement(), readAtoms[atomIdx].getElement()); + + assertEquals("x values don't match for atom " + origAtoms[atomIdx].toString(), + origAtoms[atomIdx].getX(), readAtoms[atomIdx].getX(),0.0001); + + assertEquals("y values don't match for atom " + origAtoms[atomIdx].toString(), + origAtoms[atomIdx].getY(), readAtoms[atomIdx].getY(),0.0001); + + assertEquals("z values don't match for atom " + origAtoms[atomIdx].toString(), + origAtoms[atomIdx].getZ(), readAtoms[atomIdx].getZ(),0.0001); + } + } + } + + // Test cell and symmetry + assertEquals(originalStruct.getCrystallographicInfo().getSpaceGroup(), + readStruct.getCrystallographicInfo().getSpaceGroup()); + } + + /** + * Tests that structures containing symmetry mates with modified chain identifiers + * can be written out correctly. + */ + @Test + public void testBiounitWriting() { + Structure s = createDummyStructure(); + String mmcif = new TextCifWriter().compose(CifFileConverter.convert(s)); + String[] lines = mmcif.split("\n"); + long atomLines = Arrays.stream(lines).filter(l -> l.startsWith("ATOM")).count(); + assertNotNull(mmcif); + assertEquals(4, atomLines); + } + + private static Structure createDummyStructure() { + Group g = new AminoAcidImpl(); + Atom a = getAtom("CA", Element.C, 1, 1, 1, 1); + g.addAtom(a); + g.setResidueNumber(new ResidueNumber("A", 1, null)); + Group altLocG = new AminoAcidImpl(); + Atom a2 = getAtom("CA", Element.C, 2, 2, 2, 2); + altLocG.addAtom(a2); + altLocG.setResidueNumber(new ResidueNumber("A", 1, null)); + + g.addAltLoc(altLocG); + + Chain c1 = new ChainImpl(); + c1.addGroup(g); + c1.setId("A"); + EntityInfo entityInfo = new EntityInfo(); + entityInfo.setMolId(1); + entityInfo.addChain(c1); + c1.setEntityInfo(entityInfo); + + Group gc2 = new AminoAcidImpl(); + Atom ac2 = getAtom("CA", Element.C, 3, 3, 3, 3); + gc2.addAtom(ac2); + gc2.setResidueNumber(new ResidueNumber("A_1", 1, null)); + + Group altLocGc2 = new AminoAcidImpl(); + Atom ac22 = getAtom("CA", Element.C, 4, 4, 4, 4); + altLocGc2.addAtom(ac22); + altLocGc2.setResidueNumber(new ResidueNumber("A_1", 1, null)); + + gc2.addAltLoc(altLocGc2); + + Chain c2 = new ChainImpl(); + c2.addGroup(gc2); + c2.setId("A_1"); + c2.setEntityInfo(entityInfo); + entityInfo.addChain(c2); + + Structure s = new StructureImpl(); + s.addChain(c1); + s.addChain(c2); + return s; + } + + private static Atom getAtom(String name, Element e, int id, double x, double y, double z) { + Atom a = new AtomImpl(); + a.setX(x); + a.setY(y); + a.setZ(z); + a.setPDBserial(id); + a.setName(name); + a.setElement(e); + return a; + } +} \ No newline at end of file From dc5c9810abf98e14c710f090bca34df7b3bfec37 Mon Sep 17 00:00:00 2001 From: gmungoc Date: Thu, 25 Apr 2019 11:27:24 +0100 Subject: [PATCH 026/821] Test and fix for BioJava #836 to parse and save all OBO synonyms --- .../org/biojava/nbio/ontology/Synonym.java | 18 +----------------- .../nbio/ontology/TestOboFileParsing.java | 8 ++++++++ 2 files changed, 9 insertions(+), 17 deletions(-) diff --git a/biojava-ontology/src/main/java/org/biojava/nbio/ontology/Synonym.java b/biojava-ontology/src/main/java/org/biojava/nbio/ontology/Synonym.java index 2468247d87..968bac29e7 100644 --- a/biojava-ontology/src/main/java/org/biojava/nbio/ontology/Synonym.java +++ b/biojava-ontology/src/main/java/org/biojava/nbio/ontology/Synonym.java @@ -48,23 +48,7 @@ public String toString(){ public final static Comparator COMPARATOR = new Comparator() { @Override public int compare(Synonym a, Synonym b) { - if (a == null && b == null) - return 0; - else if (a == null) - return -1; - else if (b == null) - return 1; - else { - if ((a.getCategory() == null) && (b.getCategory() == null)) - return 0; - else if ( a.getCategory()==null) - return -1; - else if ( b.getCategory()==null) - return 1; - - return a.getCategory().compareToIgnoreCase( - b.getCategory()); - } + return String.CASE_INSENSITIVE_ORDER.compare(a.toString(), b.toString()); } }; diff --git a/biojava-ontology/src/test/java/org/biojava/nbio/ontology/TestOboFileParsing.java b/biojava-ontology/src/test/java/org/biojava/nbio/ontology/TestOboFileParsing.java index 16af1a4fce..8c8bf3e3e2 100644 --- a/biojava-ontology/src/test/java/org/biojava/nbio/ontology/TestOboFileParsing.java +++ b/biojava-ontology/src/test/java/org/biojava/nbio/ontology/TestOboFileParsing.java @@ -80,6 +80,14 @@ public void testParsingHPOOBO() throws Exception { Assert.assertTrue(anno.containsProperty("replaced_by")); Assert.assertEquals("HP:0008665", anno.getProperty("replaced_by")); } + if(term.getName().equals("HP:0000006")) { + Assert.assertEquals("Autosomal dominant inheritance", term.getDescription()); + Object[] syns = term.getSynonyms(); + Assert.assertEquals(3, syns.length); + Assert.assertEquals("Autosomal dominant", ((Synonym) syns[0]).getName()); + Assert.assertEquals("Autosomal dominant form", ((Synonym) syns[1]).getName()); + Assert.assertEquals("Autosomal dominant type", ((Synonym) syns[2]).getName()); + } } } From e4f654a119dd004b891828f2f4e59996270558af Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Thu, 25 Apr 2019 09:51:21 -0700 Subject: [PATCH 027/821] writing of Cif files for AltLocs --- .../structure/io/cif/CifFileSupplierImpl.java | 120 +++++++++++++++--- .../io/cif/CifFileSupplierImplTest.java | 1 + 2 files changed, 104 insertions(+), 17 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java index d55b8dad89..7b849e165f 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java @@ -9,8 +9,9 @@ import org.rcsb.cif.model.Column; import org.rcsb.cif.model.atomsite.AtomSite; -import java.util.Collection; +import java.util.ArrayList; import java.util.LinkedHashMap; +import java.util.List; import java.util.Map; import java.util.function.Consumer; import java.util.stream.Collector; @@ -21,6 +22,8 @@ * @since 5.2.1 */ class CifFileSupplierImpl implements CifFileSupplier { + + @Override public CifFile get(Structure structure) { // for now BioJava only considered 3 categories for create a Cif representation of a structure @@ -30,13 +33,8 @@ public CifFile get(Structure structure) { // symmetry SpaceGroup spaceGroup = structure.getPDBHeader().getCrystallographicInfo().getSpaceGroup(); // atom_site - AtomSite atomSite = structure.getChains() - .stream() - .map(Chain::getAtomGroups) - .flatMap(Collection::stream) - .map(Group::getAtoms) - .flatMap(Collection::stream) - .collect(toAtomSite()); + List wrappedAtoms = collectWrappedAtoms(structure); + AtomSite atomSite = wrappedAtoms.stream().collect(toAtomSite()); Block.BlockBuilder blockBuilder = CifFile.enterFile() .enterBlock(structure.getPDBCode()); @@ -87,14 +85,101 @@ public CifFile get(Structure structure) { return blockBuilder.leaveBlock().leaveFile(); } - private static Collector toAtomSite() { + private static List collectWrappedAtoms(Structure structure) { + List wrappedAtoms = new ArrayList<>(); + + for (int modelIndex = 0; modelIndex < structure.nrModels(); modelIndex++) { + final int model = modelIndex + 1; + for (Chain chain : structure.getChains(modelIndex)) { + final String chainName = chain.getName(); + final String chainId = chain.getId(); + for (Group group : chain.getAtomGroups()) { + // The alt locs can have duplicates, since at parsing time we make sure that all alt loc groups have + // all atoms (see StructureTools#cleanUpAltLocs) + // Thus we have to remove duplicates here by using the atom id + // See issue https://github.com/biojava/biojava/issues/778 and + // TestAltLocs.testMmcifWritingAllAltlocs/testMmcifWritingPartialAltlocs + Map uniqueAtoms = new LinkedHashMap<>(); + for (int atomIndex = 0; atomIndex < group.size(); atomIndex++) { + Atom atom = group.getAtom(atomIndex); + if (atom == null) { + continue; + } + + uniqueAtoms.put(atom.getPDBserial(), new WrappedAtom(chain, model, chainName, chainId, atom, atom.getPDBserial())); + } + + if (group.hasAltLoc()) { + for (Group alt : group.getAltLocs()) { + for (int atomIndex = 0; atomIndex < alt.size(); atomIndex++) { + Atom atom = alt.getAtom(atomIndex); + if (atom == null) { + continue; + } + + uniqueAtoms.put(atom.getPDBserial(), new WrappedAtom(chain, model, chainName, chainId, atom, atom.getPDBserial())); + } + } + } + + wrappedAtoms.addAll(uniqueAtoms.values()); + } + } + } + + return wrappedAtoms; + } + + static class WrappedAtom { + private final Chain chain; + private final int model; + private final String chainName; + private final String chainId; + private final Atom atom; + private final int atomId; + + public WrappedAtom(Chain chain, int model, String chainName, String chainId, Atom atom, int atomId) { + this.chain = chain; + this.model = model; + this.chainName = chainName; + this.chainId = chainId; + this.atom = atom; + this.atomId = atomId; + } + + public Chain getChain() { + return chain; + } + + public int getModel() { + return model; + } + + public String getChainName() { + return chainName; + } + + public String getChainId() { + return chainId; + } + + public Atom getAtom() { + return atom; + } + + public int getAtomId() { + return atomId; + } + } + + private static Collector toAtomSite() { return Collector.of(AtomSiteCollector::new, AtomSiteCollector::accept, AtomSiteCollector::combine, AtomSiteCollector::get); } - static class AtomSiteCollector implements Consumer { + static class AtomSiteCollector implements Consumer { private final Column.StrColumnBuilder groupPDB; private final Column.IntColumnBuilder id; private final Column.StrColumnBuilder typeSymbol; @@ -141,12 +226,13 @@ static class AtomSiteCollector implements Consumer { } @Override - public void accept(Atom atom) { + public void accept(WrappedAtom wrappedAtom) { + Atom atom = wrappedAtom.getAtom(); Group group = atom.getGroup(); Chain chain = group.getChain(); groupPDB.stringValues(group.getType().equals(GroupType.HETATM) ? "HETATM" : "ATOM"); - id.intValues(atomId); + id.intValues(wrappedAtom.getAtomId()); Element element = atom.getElement(); typeSymbol.stringValues(element.equals(Element.R) ? "X" : element.toString().toUpperCase()); labelAtomId.stringValues(atom.getName()); @@ -157,13 +243,14 @@ public void accept(Atom atom) { labelAltId.stringValues(String.valueOf(altLoc)); } labelCompId.stringValues(group.getPDBName()); - labelAsymId.stringValues(chain.getId()); + labelAsymId.stringValues(wrappedAtom.getChainId()); String entityId = "0"; int seqId = group.getResidueNumber().getSeqNum(); if (chain.getEntityInfo() != null) { entityId = Integer.toString(chain.getEntityInfo().getMolId()); if (chain.getEntityInfo().getType() == EntityType.POLYMER) { - // this only makes sense for polymeric chains, non-polymer chains will never have seqres groups and there's no point in calling getAlignedResIndex + // this only makes sense for polymeric chains, non-polymer chains will never have seqres groups and + // there's no point in calling getAlignedResIndex seqId = chain.getEntityInfo().getAlignedResIndex(group, chain); } } @@ -185,11 +272,10 @@ public void accept(Atom atom) { bIsoOrEquiv.floatValues(atom.getTempFactor()); authSeqId.intValues(group.getResidueNumber().getSeqNum()); authCompId.stringValues(group.getPDBName()); - authAsymId.stringValues(chain.getId()); + authAsymId.stringValues(wrappedAtom.getChainName()); authAtomId.stringValues(atom.getName()); - pdbxPDBModelNum.intValues(1); + pdbxPDBModelNum.intValues(wrappedAtom.getModel()); - // TODO respect symmetry atomId++; } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java index 5ea8370e89..9b7d5e105c 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java @@ -57,6 +57,7 @@ private static void testRoundTrip(String pdbId) throws IOException, StructureExc FileWriter fw = new FileWriter(outputFile); String cif = new TextCifWriter().compose(CifFileConverter.convert(originalStruct)); + System.out.println(cif); fw.write(cif); fw.close(); From f09a417b41484229e6bd8719c1e551a4781dfbce Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Thu, 25 Apr 2019 11:13:47 -0700 Subject: [PATCH 028/821] updates CifFileSupplier to infer types --- .../structure/io/cif/CifFileSupplierImpl.java | 59 ++++++++---------- .../io/cif/CifFileConsumerImplTest.java | 62 ++++++++++++++++++- .../io/mmcif/TestEntityNameAndType.java | 1 - 3 files changed, 87 insertions(+), 35 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java index 7b849e165f..992c66de9d 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java @@ -22,8 +22,6 @@ * @since 5.2.1 */ class CifFileSupplierImpl implements CifFileSupplier { - - @Override public CifFile get(Structure structure) { // for now BioJava only considered 3 categories for create a Cif representation of a structure @@ -47,27 +45,27 @@ public CifFile get(Structure structure) { if (crystalCell != null) { // set cell category blockBuilder.enterCategory("cell") - .enterColumn("length_a") + .enterFloatColumn("length_a") .floatValues(crystalCell.getA()) .leaveColumn() - .enterColumn("length_b") + .enterFloatColumn("length_b") .floatValues(crystalCell.getB()) .leaveColumn() - .enterColumn("length_c") + .enterFloatColumn("length_c") .floatValues(crystalCell.getC()) .leaveColumn() - .enterColumn("angle_alpha") + .enterFloatColumn("angle_alpha") .floatValues(crystalCell.getAlpha()) .leaveColumn() - .enterColumn("angle_beta") + .enterFloatColumn("angle_beta") .floatValues(crystalCell.getBeta()) .leaveColumn() - .enterColumn("angle_gamma") + .enterFloatColumn("angle_gamma") .floatValues(crystalCell.getGamma()) .leaveColumn() .leaveCategory(); @@ -76,7 +74,7 @@ public CifFile get(Structure structure) { if (spaceGroup != null) { // set symmetry category blockBuilder.enterCategory("symmetry") - .enterColumn("space_group_name_H-M") + .enterStrColumn("space_group_name_H-M") .stringValues(spaceGroup.getShortSymbol()) .leaveColumn() .leaveCategory(); @@ -200,29 +198,28 @@ static class AtomSiteCollector implements Consumer { private final Column.StrColumnBuilder authAsymId; private final Column.StrColumnBuilder authAtomId; private final Column.IntColumnBuilder pdbxPDBModelNum; - private int atomId = 1; AtomSiteCollector() { - this.groupPDB = Column.enterStrColumn("group_PDB"); - this.id = Column.enterIntColumn("id"); - this.typeSymbol = Column.enterStrColumn("type_symbol"); - this.labelAtomId = Column.enterStrColumn("label_atom_id"); - this.labelAltId = Column.enterStrColumn("label_alt_id"); - this.labelCompId = Column.enterStrColumn("label_comp_id"); - this.labelAsymId = Column.enterStrColumn("label_asym_id"); - this.labelEntityId = Column.enterStrColumn("label_entity_id"); - this.labelSeqId = Column.enterIntColumn("label_seq_id"); - this.pdbxPDBInsCode = Column.enterStrColumn("pdbx_PDB_ins_code"); - this.cartnX = Column.enterFloatColumn("Cartn_x"); - this.cartnY = Column.enterFloatColumn("Cartn_y"); - this.cartnZ = Column.enterFloatColumn("Cartn_z"); - this.occupancy = Column.enterFloatColumn("occupancy"); - this.bIsoOrEquiv = Column.enterFloatColumn("B_iso_or_equiv"); - this.authSeqId = Column.enterIntColumn("auth_seq_id"); - this.authCompId = Column.enterStrColumn("auth_comp_id"); - this.authAsymId = Column.enterStrColumn("auth_asym_id"); - this.authAtomId = Column.enterStrColumn("auth_atom_id"); - this.pdbxPDBModelNum = Column.enterIntColumn("pdbx_PDB_model_num"); + this.groupPDB = Column.enterStrColumn("atom_site", "group_PDB"); + this.id = Column.enterIntColumn("atom_site", "id"); + this.typeSymbol = Column.enterStrColumn("atom_site", "type_symbol"); + this.labelAtomId = Column.enterStrColumn("atom_site", "label_atom_id"); + this.labelAltId = Column.enterStrColumn("atom_site", "label_alt_id"); + this.labelCompId = Column.enterStrColumn("atom_site", "label_comp_id"); + this.labelAsymId = Column.enterStrColumn("atom_site", "label_asym_id"); + this.labelEntityId = Column.enterStrColumn("atom_site", "label_entity_id"); + this.labelSeqId = Column.enterIntColumn("atom_site", "label_seq_id"); + this.pdbxPDBInsCode = Column.enterStrColumn("atom_site", "pdbx_PDB_ins_code"); + this.cartnX = Column.enterFloatColumn("atom_site", "Cartn_x"); + this.cartnY = Column.enterFloatColumn("atom_site", "Cartn_y"); + this.cartnZ = Column.enterFloatColumn("atom_site", "Cartn_z"); + this.occupancy = Column.enterFloatColumn("atom_site", "occupancy"); + this.bIsoOrEquiv = Column.enterFloatColumn("atom_site", "B_iso_or_equiv"); + this.authSeqId = Column.enterIntColumn("atom_site", "auth_seq_id"); + this.authCompId = Column.enterStrColumn("atom_site", "auth_comp_id"); + this.authAsymId = Column.enterStrColumn("atom_site", "auth_asym_id"); + this.authAtomId = Column.enterStrColumn("atom_site", "auth_atom_id"); + this.pdbxPDBModelNum = Column.enterIntColumn("atom_site", "pdbx_PDB_model_num"); } @Override @@ -275,8 +272,6 @@ public void accept(WrappedAtom wrappedAtom) { authAsymId.stringValues(wrappedAtom.getChainName()); authAtomId.stringValues(atom.getName()); pdbxPDBModelNum.intValues(wrappedAtom.getModel()); - - atomId++; } AtomSiteCollector combine(AtomSiteCollector other) { diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java index fd28acb0c7..7df716f1f7 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java @@ -1,7 +1,10 @@ package org.biojava.nbio.structure.io.cif; import org.biojava.nbio.structure.*; +import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.*; +import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; +import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import org.junit.Test; import org.rcsb.cif.CifReader; import org.rcsb.cif.model.CifFile; @@ -24,6 +27,63 @@ public class CifFileConsumerImplTest { // TODO use test resources provided by integration-test module + @Test + public void testEntityId() throws IOException, StructureException { + // Set up the atom cache to parse on Internal chain id + AtomCache cache = new AtomCache(); + cache.setUseCif(true); + FileParsingParameters params = cache.getFileParsingParams(); + + DownloadChemCompProvider cc = new DownloadChemCompProvider(); + ChemCompGroupFactory.setChemCompProvider(cc); + cc.checkDoFirstInstall(); + cache.setFileParsingParams(params); + StructureIO.setAtomCache(cache); + // This is hte information we want to test against + String[] typeInformation = new String[] {"POLYMER", "NONPOLYMER", "NONPOLYMER", "NONPOLYMER", "NONPOLYMER", "WATER"}; + String[] descriptionInformation = new String[] {"BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B","4-Fluorobenzamidoxime", "METHANOL", "METHANOL", "METHANOL", "water"}; + + // Now some other information fields to test this data is collated correctly + String[] geneSourceSciName = new String[] {"HOMO SAPIENS", null, null, null, null, null}; + String[] geneSourceTaxId = new String[] {"9606", null, null, null, null, null}; + String[] hostOrganismSciName = new String[] {"ESCHERICHIA COLI", null, null, null, null, null}; + String[] hostOrganismTaxId = new String[] {"469008", null, null, null, null, null}; + + /// TODO GET ALL THE ENTITY INFORMATION REQUIRED FOR 4CUP + // Get this structure + Structure bioJavaStruct = StructureIO.getStructure("4cup"); + String[] testTypeInfo = new String[6]; + String[] testDescInfo = new String[6]; + + String[] testGeneSourceSciName = new String[6]; + String[] testGeneSourceTaxId = new String[6]; + String[] testHostOrganismSciName = new String[6]; + String[] testHostOrganismTaxId = new String[6]; + + // Now loop through the structure + int chainCounter = 0; + for (Chain c: bioJavaStruct.getChains()) { + // Now get the entity information we want to test + EntityInfo thisCmpd = c.getEntityInfo(); + testTypeInfo[chainCounter] = thisCmpd.getType().toString(); + testDescInfo[chainCounter] = thisCmpd.getDescription(); + testGeneSourceSciName[chainCounter] = thisCmpd.getOrganismScientific(); + testGeneSourceTaxId[chainCounter] = thisCmpd.getOrganismTaxId(); + testHostOrganismSciName[chainCounter] = thisCmpd.getExpressionSystem(); + testHostOrganismTaxId[chainCounter] = thisCmpd.getExpressionSystemTaxId(); + + chainCounter++; + } + // Now check they're both the same + assertArrayEquals(descriptionInformation, testDescInfo); + assertArrayEquals(typeInformation, testTypeInfo); + // Now check these work too + assertArrayEquals(geneSourceSciName, testGeneSourceSciName); + assertArrayEquals(geneSourceTaxId, testGeneSourceTaxId); + assertArrayEquals(hostOrganismSciName, testHostOrganismSciName); + assertArrayEquals(hostOrganismTaxId, testHostOrganismTaxId); + } + /** * Test parsing dates from MMCIF file version 4. */ @@ -64,8 +124,6 @@ public void testDatesV5() throws IOException, ParseException { Date depositionDate = dateFormat.parse("1992-03-12"); assertEquals(depositionDate, s.getPDBHeader().getDepDate()); - - } /** diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java index 780aad41c4..e754e221dd 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java @@ -38,7 +38,6 @@ * */ public class TestEntityNameAndType { - @Test public void testEntityId() throws IOException, StructureException { From a1c71a8e3d40cc32104b1d387a3d3b560b43356e Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Fri, 26 Apr 2019 09:29:35 -0700 Subject: [PATCH 029/821] Fixing gitattribute issue --- .gitattributes | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/.gitattributes b/.gitattributes index 9e293e1595..196ded22fd 100644 --- a/.gitattributes +++ b/.gitattributes @@ -37,7 +37,8 @@ *.sto text *.tsv text *.txt text -*.xml text eol=lf #Causing decompression test to fail when line endings in org/biojava/nbio/core/util/build.xml are crlf +# eol=elf : Causing decompression test to fail when line endings in org/biojava/nbio/core/util/build.xml are crlf +*.xml text eol=lf *.xsd text *.yml text From 6ddc053b8ba9c31a31bc59d3cc08537b4c2f3e1c Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Mon, 29 Apr 2019 12:15:30 -0700 Subject: [PATCH 030/821] full model, type-safe builder integration, fetch URL --- .../nbio/structure/io/BcifFileReader.java | 10 +- .../nbio/structure/io/CifFileReader.java | 6 +- .../nbio/structure/io/LocalPDBDirectory.java | 3 + .../structure/io/cif/CifFileConsumer.java | 104 ++++---- .../structure/io/cif/CifFileConsumerImpl.java | 222 +++++++++--------- .../structure/io/cif/CifFileConverter.java | 29 ++- .../structure/io/cif/CifFileSupplierImpl.java | 215 ++++++++--------- .../io/cif/CifFileConsumerImplTest.java | 73 +----- .../io/cif/CifFileSupplierImplTest.java | 11 +- 9 files changed, 313 insertions(+), 360 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java index ae380188b8..dbccf73a5a 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java @@ -9,7 +9,7 @@ import java.io.InputStream; /** - * Parse BcifFile instances and provide capabilities to store them locally. + * Parse binary Cif files and provide capabilities to store them locally. * @author Sebastian Bittrich * @since 5.2.1 */ @@ -18,7 +18,7 @@ public class BcifFileReader extends LocalPDBDirectory { public static final String[] CIF_OBSOLETE_DIR = new String[] { "data", "structures", "obsolete", "bcif" }; /** - * Constructs a new CifFileReader, initializing the extensions member variable. + * Constructs a new BcifFileReader, initializing the extensions member variable. * The path is initialized in the same way as {@link UserConfiguration}, * i.e. to system property/environment variable {@link UserConfiguration#PDB_DIR}. * Both autoFetch and splitDir are initialized to false @@ -28,7 +28,7 @@ public BcifFileReader() { } /** - * Constructs a new PDBFileReader, initializing the extensions member variable. + * Constructs a new BcifFileReader, initializing the extensions member variable. * The path is initialized to the given path, both autoFetch and splitDir are initialized to false. */ public BcifFileReader(String path) { @@ -39,12 +39,12 @@ public BcifFileReader(String path) { @Override public Structure getStructure(InputStream inStream) throws IOException { - return CifFileConverter.convert(CifReader.parseBinary(inStream), getFileParsingParameters()); + return CifFileConverter.convert(CifReader.readBinary(inStream), getFileParsingParameters()); } @Override protected String getFilename(String pdbId) { - return pdbId.toLowerCase() + ".bcif.gz"; + return pdbId.toLowerCase() + ".bcif"; } @Override diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java index c372ab469c..fd47825c8b 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java @@ -9,7 +9,7 @@ import java.io.InputStream; /** - * Parse CifFile instances and provide capabilities to store them locally. + * Parse text Cif files and provide capabilities to store them locally. * @author Sebastian Bittrich * @since 5.2.1 */ @@ -28,7 +28,7 @@ public CifFileReader() { } /** - * Constructs a new PDBFileReader, initializing the extensions member variable. + * Constructs a new CifFileReader, initializing the extensions member variable. * The path is initialized to the given path, both autoFetch and splitDir are initialized to false. */ public CifFileReader(String path) { @@ -41,7 +41,7 @@ public CifFileReader(String path) { @Override public Structure getStructure(InputStream inStream) throws IOException{ - return CifFileConverter.convert(CifReader.parseText(inStream), getFileParsingParameters()); + return CifFileConverter.convert(CifReader.readText(inStream), getFileParsingParameters()); } @Override diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java index 61735ecfa6..5bd99e5330 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java @@ -519,6 +519,9 @@ private File downloadStructure(String pdbId, String pathOnServer, boolean obsole if (getFilename(pdbId).endsWith(".mmtf.gz")){ ftp = CodecUtils.getMmtfEntryUrl(pdbId, true, false); + } else if (getFilename(pdbId).endsWith(".bcif")) { + // TODO need to change at some point? + ftp = "https://webchem.ncbr.muni.cz/ModelServer/static/bcif/" + pdbId; } else { ftp = String.format("%s%s/%s/%s", serverName, pathOnServer, pdbId.substring(1,3).toLowerCase(), getFilename(pdbId)); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java index 327c5c2139..ec3f7a2cf0 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java @@ -1,38 +1,50 @@ package org.biojava.nbio.structure.io.cif; -import org.rcsb.cif.model.Category; -import org.rcsb.cif.model.atomsite.AtomSite; -import org.rcsb.cif.model.atomsites.AtomSites; -import org.rcsb.cif.model.cell.Cell; -import org.rcsb.cif.model.chemcomp.ChemComp; -import org.rcsb.cif.model.chemcompbond.ChemCompBond; -import org.rcsb.cif.model.entity.Entity; -import org.rcsb.cif.model.entitypoly.EntityPoly; -import org.rcsb.cif.model.entitypolyseq.EntityPolySeq; -import org.rcsb.cif.model.exptl.Exptl; -import org.rcsb.cif.model.pdbxchemcompidentifier.PdbxChemCompIdentifier; -import org.rcsb.cif.model.pdbxentitydescriptor.PdbxEntityDescriptor; -import org.rcsb.cif.model.pdbxmolecule.PdbxMolecule; -import org.rcsb.cif.model.pdbxmoleculefeatures.PdbxMoleculeFeatures; -import org.rcsb.cif.model.pdbxnonpolyscheme.PdbxNonpolyScheme; -import org.rcsb.cif.model.pdbxreferenceentitylink.PdbxReferenceEntityLink; -import org.rcsb.cif.model.pdbxreferenceentitylist.PdbxReferenceEntityList; -import org.rcsb.cif.model.pdbxreferenceentitypolylink.PdbxReferenceEntityPolyLink; -import org.rcsb.cif.model.pdbxstructassembly.PdbxStructAssembly; -import org.rcsb.cif.model.pdbxstructassemblygen.PdbxStructAssemblyGen; -import org.rcsb.cif.model.pdbxstructmodresidue.PdbxStructModResidue; -import org.rcsb.cif.model.pdbxstructoperlist.PdbxStructOperList; -import org.rcsb.cif.model.struct.Struct; -import org.rcsb.cif.model.structasym.StructAsym; -import org.rcsb.cif.model.structconf.StructConf; -import org.rcsb.cif.model.structconn.StructConn; -import org.rcsb.cif.model.structconntype.StructConnType; -import org.rcsb.cif.model.structkeywords.StructKeywords; -import org.rcsb.cif.model.structncsoper.StructNcsOper; -import org.rcsb.cif.model.structsheetrange.StructSheetRange; -import org.rcsb.cif.model.structsite.StructSite; -import org.rcsb.cif.model.structsitegen.StructSiteGen; -import org.rcsb.cif.model.symmetry.Symmetry; +import org.rcsb.cif.model.generated.atomsite.AtomSite; +import org.rcsb.cif.model.generated.atomsites.AtomSites; +import org.rcsb.cif.model.generated.auditauthor.AuditAuthor; +import org.rcsb.cif.model.generated.cell.Cell; +import org.rcsb.cif.model.generated.chemcomp.ChemComp; +import org.rcsb.cif.model.generated.chemcompbond.ChemCompBond; +import org.rcsb.cif.model.generated.databasepdbremark.DatabasePDBRemark; +import org.rcsb.cif.model.generated.databasepdbrev.DatabasePDBRev; +import org.rcsb.cif.model.generated.databasepdbrevrecord.DatabasePDBRevRecord; +import org.rcsb.cif.model.generated.entity.Entity; +import org.rcsb.cif.model.generated.entitypoly.EntityPoly; +import org.rcsb.cif.model.generated.entitypolyseq.EntityPolySeq; +import org.rcsb.cif.model.generated.entitysrcgen.EntitySrcGen; +import org.rcsb.cif.model.generated.entitysrcnat.EntitySrcNat; +import org.rcsb.cif.model.generated.exptl.Exptl; +import org.rcsb.cif.model.generated.pdbxauditrevisionhistory.PdbxAuditRevisionHistory; +import org.rcsb.cif.model.generated.pdbxchemcompidentifier.PdbxChemCompIdentifier; +import org.rcsb.cif.model.generated.pdbxdatabasestatus.PdbxDatabaseStatus; +import org.rcsb.cif.model.generated.pdbxentitydescriptor.PdbxEntityDescriptor; +import org.rcsb.cif.model.generated.pdbxentitysrcsyn.PdbxEntitySrcSyn; +import org.rcsb.cif.model.generated.pdbxmolecule.PdbxMolecule; +import org.rcsb.cif.model.generated.pdbxmoleculefeatures.PdbxMoleculeFeatures; +import org.rcsb.cif.model.generated.pdbxnonpolyscheme.PdbxNonpolyScheme; +import org.rcsb.cif.model.generated.pdbxreferenceentitylink.PdbxReferenceEntityLink; +import org.rcsb.cif.model.generated.pdbxreferenceentitylist.PdbxReferenceEntityList; +import org.rcsb.cif.model.generated.pdbxreferenceentitypolylink.PdbxReferenceEntityPolyLink; +import org.rcsb.cif.model.generated.pdbxstructassembly.PdbxStructAssembly; +import org.rcsb.cif.model.generated.pdbxstructassemblygen.PdbxStructAssemblyGen; +import org.rcsb.cif.model.generated.pdbxstructmodresidue.PdbxStructModResidue; +import org.rcsb.cif.model.generated.pdbxstructoperlist.PdbxStructOperList; +import org.rcsb.cif.model.generated.refine.Refine; +import org.rcsb.cif.model.generated.struct.Struct; +import org.rcsb.cif.model.generated.structasym.StructAsym; +import org.rcsb.cif.model.generated.structconf.StructConf; +import org.rcsb.cif.model.generated.structconn.StructConn; +import org.rcsb.cif.model.generated.structconntype.StructConnType; +import org.rcsb.cif.model.generated.structkeywords.StructKeywords; +import org.rcsb.cif.model.generated.structncsoper.StructNcsOper; +import org.rcsb.cif.model.generated.structref.StructRef; +import org.rcsb.cif.model.generated.structrefseq.StructRefSeq; +import org.rcsb.cif.model.generated.structrefseqdif.StructRefSeqDif; +import org.rcsb.cif.model.generated.structsheetrange.StructSheetRange; +import org.rcsb.cif.model.generated.structsite.StructSite; +import org.rcsb.cif.model.generated.structsitegen.StructSiteGen; +import org.rcsb.cif.model.generated.symmetry.Symmetry; /** * Defines a rather generic interface which allows to populate some data structure with data parsed from a CIF file. @@ -63,7 +75,7 @@ interface CifFileConsumer { * Consume a particular Cif category. * @param auditAuthor data */ - void consumeAuditAuthor(Category auditAuthor); + void consumeAuditAuthor(AuditAuthor auditAuthor); /** * Consume a particular Cif category. @@ -87,19 +99,19 @@ interface CifFileConsumer { * Consume a particular Cif category. * @param databasePDBremark data */ - void consumeDatabasePDBremark(Category databasePDBremark); + void consumeDatabasePDBremark(DatabasePDBRemark databasePDBremark); /** * Consume a particular Cif category. * @param databasePDBrev data */ - void consumeDatabasePDBrev(Category databasePDBrev); + void consumeDatabasePDBrev(DatabasePDBRev databasePDBrev); /** * Consume a particular Cif category. * @param databasePDBrevRecord data */ - void consumeDatabasePDBrevRecord(Category databasePDBrevRecord); + void consumeDatabasePDBrevRecord(DatabasePDBRevRecord databasePDBrevRecord); /** * Consume a particular Cif category. @@ -117,19 +129,19 @@ interface CifFileConsumer { * Consume a particular Cif category. * @param entitySrcGen data */ - void consumeEntitySrcGen(Category entitySrcGen); + void consumeEntitySrcGen(EntitySrcGen entitySrcGen); /** * Consume a particular Cif category. * @param entitySrcNat data */ - void consumeEntitySrcNat(Category entitySrcNat); + void consumeEntitySrcNat(EntitySrcNat entitySrcNat); /** * Consume a particular Cif category. * @param entitySrcSyn data */ - void consumeEntitySrcSyn(Category entitySrcSyn); + void consumeEntitySrcSyn(PdbxEntitySrcSyn entitySrcSyn); /** * Consume a particular Cif category. @@ -147,7 +159,7 @@ interface CifFileConsumer { * Consume a particular Cif category. * @param pdbxAuditRevisionHistory data */ - void consumePdbxAuditRevisionHistory(Category pdbxAuditRevisionHistory); + void consumePdbxAuditRevisionHistory(PdbxAuditRevisionHistory pdbxAuditRevisionHistory); /** * Consume a particular Cif category. @@ -159,7 +171,7 @@ interface CifFileConsumer { * Consume a particular Cif category. * @param pdbxDatabaseStatus data */ - void consumePdbxDatabaseStatus(Category pdbxDatabaseStatus); + void consumePdbxDatabaseStatus(PdbxDatabaseStatus pdbxDatabaseStatus); /** * Consume a particular Cif category. @@ -231,7 +243,7 @@ interface CifFileConsumer { * Consume a particular Cif category. * @param refine data */ - void consumeRefine(Category refine); + void consumeRefine(Refine refine); /** * Consume a particular Cif category. @@ -279,19 +291,19 @@ interface CifFileConsumer { * Consume a particular Cif category. * @param structRef data */ - void consumeStructRef(Category structRef); + void consumeStructRef(StructRef structRef); /** * Consume a particular Cif category. * @param structRefSeq data */ - void consumeStructRefSeq(Category structRefSeq); + void consumeStructRefSeq(StructRefSeq structRefSeq); /** * Consume a particular Cif category. * @param structRefSeqDif data */ - void consumeStructRefSeqDif(Category structRefSeqDif); + void consumeStructRefSeqDif(StructRefSeqDif structRefSeqDif); /** * Consume a particular Cif category. diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index dc2018633a..4752793c22 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -2,8 +2,10 @@ import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.io.*; +// TODO detach the impl from the redundant mmCIF impl import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; import org.biojava.nbio.structure.io.mmcif.model.DatabasePdbrevRecord; +import org.biojava.nbio.structure.io.mmcif.model.EntitySrcSyn; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; @@ -12,39 +14,57 @@ import org.biojava.nbio.structure.xtal.SymoplibParser; import org.rcsb.cif.model.Category; import org.rcsb.cif.model.Column; -import org.rcsb.cif.model.atomsite.*; -import org.rcsb.cif.model.atomsites.AtomSites; -import org.rcsb.cif.model.cell.Cell; -import org.rcsb.cif.model.chemcomp.ChemComp; -import org.rcsb.cif.model.chemcompbond.ChemCompBond; -import org.rcsb.cif.model.entity.Entity; -import org.rcsb.cif.model.entitypoly.EntityPoly; -import org.rcsb.cif.model.entitypolyseq.EntityPolySeq; -import org.rcsb.cif.model.exptl.Exptl; -import org.rcsb.cif.model.pdbxchemcompidentifier.PdbxChemCompIdentifier; -import org.rcsb.cif.model.pdbxentitydescriptor.PdbxEntityDescriptor; -import org.rcsb.cif.model.pdbxmolecule.PdbxMolecule; -import org.rcsb.cif.model.pdbxmoleculefeatures.PdbxMoleculeFeatures; -import org.rcsb.cif.model.pdbxnonpolyscheme.PdbxNonpolyScheme; -import org.rcsb.cif.model.pdbxreferenceentitylink.PdbxReferenceEntityLink; -import org.rcsb.cif.model.pdbxreferenceentitylist.PdbxReferenceEntityList; -import org.rcsb.cif.model.pdbxreferenceentitypolylink.PdbxReferenceEntityPolyLink; -import org.rcsb.cif.model.pdbxstructassembly.PdbxStructAssembly; -import org.rcsb.cif.model.pdbxstructassemblygen.PdbxStructAssemblyGen; -import org.rcsb.cif.model.pdbxstructmodresidue.PdbxStructModResidue; -import org.rcsb.cif.model.pdbxstructoperlist.PdbxStructOperList; -import org.rcsb.cif.model.struct.Struct; -import org.rcsb.cif.model.structasym.StructAsym; -import org.rcsb.cif.model.structconf.StructConf; -import org.rcsb.cif.model.structconn.StructConn; -import org.rcsb.cif.model.structconntype.StructConnType; -import org.rcsb.cif.model.structkeywords.PdbxKeywords; -import org.rcsb.cif.model.structkeywords.StructKeywords; -import org.rcsb.cif.model.structncsoper.StructNcsOper; -import org.rcsb.cif.model.structsheetrange.StructSheetRange; -import org.rcsb.cif.model.structsite.StructSite; -import org.rcsb.cif.model.structsitegen.StructSiteGen; -import org.rcsb.cif.model.symmetry.Symmetry; +import org.rcsb.cif.model.generated.atomsite.*; +import org.rcsb.cif.model.generated.atomsites.AtomSites; +import org.rcsb.cif.model.generated.auditauthor.AuditAuthor; +import org.rcsb.cif.model.generated.cell.Cell; +import org.rcsb.cif.model.generated.chemcomp.ChemComp; +import org.rcsb.cif.model.generated.chemcompbond.ChemCompBond; +import org.rcsb.cif.model.generated.databasepdbremark.DatabasePDBRemark; +import org.rcsb.cif.model.generated.databasepdbrev.DatabasePDBRev; +import org.rcsb.cif.model.generated.databasepdbrevrecord.DatabasePDBRevRecord; +import org.rcsb.cif.model.generated.entity.Entity; +import org.rcsb.cif.model.generated.entitypoly.EntityPoly; +import org.rcsb.cif.model.generated.entitypolyseq.EntityPolySeq; +import org.rcsb.cif.model.generated.entitysrcgen.EntitySrcGen; +import org.rcsb.cif.model.generated.entitysrcnat.EntitySrcNat; +import org.rcsb.cif.model.generated.exptl.Exptl; +import org.rcsb.cif.model.generated.pdbxauditrevisionhistory.PdbxAuditRevisionHistory; +import org.rcsb.cif.model.generated.pdbxchemcompidentifier.PdbxChemCompIdentifier; +import org.rcsb.cif.model.generated.pdbxdatabasestatus.PdbxDatabaseStatus; +import org.rcsb.cif.model.generated.pdbxdatabasestatus.RecvdInitialDepositionDate; +import org.rcsb.cif.model.generated.pdbxentitydescriptor.PdbxEntityDescriptor; +import org.rcsb.cif.model.generated.pdbxentitysrcsyn.PdbxEntitySrcSyn; +import org.rcsb.cif.model.generated.pdbxmolecule.PdbxMolecule; +import org.rcsb.cif.model.generated.pdbxmoleculefeatures.PdbxMoleculeFeatures; +import org.rcsb.cif.model.generated.pdbxnonpolyscheme.PdbxNonpolyScheme; +import org.rcsb.cif.model.generated.pdbxreferenceentitylink.PdbxReferenceEntityLink; +import org.rcsb.cif.model.generated.pdbxreferenceentitylist.PdbxReferenceEntityList; +import org.rcsb.cif.model.generated.pdbxreferenceentitypolylink.PdbxReferenceEntityPolyLink; +import org.rcsb.cif.model.generated.pdbxstructassembly.PdbxStructAssembly; +import org.rcsb.cif.model.generated.pdbxstructassemblygen.PdbxStructAssemblyGen; +import org.rcsb.cif.model.generated.pdbxstructmodresidue.PdbxStructModResidue; +import org.rcsb.cif.model.generated.pdbxstructoperlist.PdbxStructOperList; +import org.rcsb.cif.model.generated.refine.LsRFactorRFree; +import org.rcsb.cif.model.generated.refine.LsRFactorRWork; +import org.rcsb.cif.model.generated.refine.Refine; +import org.rcsb.cif.model.generated.struct.Struct; +import org.rcsb.cif.model.generated.structasym.StructAsym; +import org.rcsb.cif.model.generated.structconf.StructConf; +import org.rcsb.cif.model.generated.structconn.StructConn; +import org.rcsb.cif.model.generated.structconntype.StructConnType; +import org.rcsb.cif.model.generated.structkeywords.PdbxKeywords; +import org.rcsb.cif.model.generated.structkeywords.StructKeywords; +import org.rcsb.cif.model.generated.structncsoper.StructNcsOper; +import org.rcsb.cif.model.generated.structref.StructRef; +import org.rcsb.cif.model.generated.structrefseq.PdbxDbAlignBegInsCode; +import org.rcsb.cif.model.generated.structrefseq.PdbxDbAlignEndInsCode; +import org.rcsb.cif.model.generated.structrefseq.StructRefSeq; +import org.rcsb.cif.model.generated.structrefseqdif.StructRefSeqDif; +import org.rcsb.cif.model.generated.structsheetrange.StructSheetRange; +import org.rcsb.cif.model.generated.structsite.StructSite; +import org.rcsb.cif.model.generated.structsitegen.StructSiteGen; +import org.rcsb.cif.model.generated.symmetry.Symmetry; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -79,9 +99,9 @@ class CifFileConsumerImpl implements CifFileConsumer { private Entity entity; private EntityPoly entityPoly; - private Category entitySrcGen; - private Category entitySrcNat; - private Category entitySrcSyn; + private EntitySrcGen entitySrcGen; + private EntitySrcNat entitySrcNat; + private PdbxEntitySrcSyn entitySrcSyn; private List seqResChains; private PdbxStructAssembly structAssembly; private PdbxStructAssemblyGen structAssemblyGen; @@ -89,8 +109,8 @@ class CifFileConsumerImpl implements CifFileConsumer { private StructConn structConn; private StructNcsOper structNcsOper; private PdbxStructOperList structOpers; - private Category structRef; - private Category structRefSeqDif; + private StructRef structRef; + private StructRefSeqDif structRefSeqDif; private StructSiteGen structSiteGen; private Map asymId2entityId; @@ -438,9 +458,9 @@ public void consumeAtomSites(AtomSites atomSites) { } @Override - public void consumeAuditAuthor(Category auditAuthor) { + public void consumeAuditAuthor(AuditAuthor auditAuthor) { for (int rowIndex = 0; rowIndex < auditAuthor.getRowCount(); rowIndex++) { - String name = auditAuthor.getColumn("name").getStringData(rowIndex); + String name = auditAuthor.getName().get(rowIndex); StringBuilder last = new StringBuilder(); StringBuilder initials = new StringBuilder(); @@ -529,11 +549,11 @@ public void consumeChemCompBond(ChemCompBond chemCompBond) { } @Override - public void consumeDatabasePDBremark(Category databasePDBremark) { + public void consumeDatabasePDBremark(DatabasePDBRemark databasePDBremark) { for (int rowIndex = 0; rowIndex < databasePDBremark.getRowCount(); rowIndex++) { - String id = databasePDBremark.getColumn("id").getStringData(rowIndex); - if ("2".equals(id)) { - String line = databasePDBremark.getColumn("text").getStringData(rowIndex); + int id = databasePDBremark.getId().get(rowIndex); + if (id == 2) { + String line = databasePDBremark.getText().get(rowIndex); int i = line.indexOf("ANGSTROM"); if (i > 5) { @@ -553,12 +573,12 @@ public void consumeDatabasePDBremark(Category databasePDBremark) { } @Override - public void consumeDatabasePDBrev(Category databasePDBrev) { + public void consumeDatabasePDBrev(DatabasePDBRev databasePDBrev) { logger.debug("got a database revision:" + databasePDBrev); for (int rowIndex = 0; rowIndex < databasePDBrev.getRowCount(); rowIndex++) { - if ("1".equals(databasePDBrev.getColumn("num").getStringData(rowIndex))) { - String dateOriginal = databasePDBrev.getColumn("date_original").getStringData(rowIndex); + if (databasePDBrev.getNum().get(rowIndex) == 1) { + String dateOriginal = databasePDBrev.getDateOriginal().get(rowIndex); try { Date dep = DATE_FORMAT.parse(dateOriginal); pdbHeader.setDepDate(dep); @@ -567,7 +587,7 @@ public void consumeDatabasePDBrev(Category databasePDBrev) { dateOriginal); } - String date = databasePDBrev.getColumn("date").getStringData(rowIndex); + String date = databasePDBrev.getDate().get(rowIndex); try { Date rel = DATE_FORMAT.parse(date); pdbHeader.setRelDate(rel); @@ -575,7 +595,7 @@ public void consumeDatabasePDBrev(Category databasePDBrev) { logger.warn("Could not parse date string '{}', modification date will be unavailable", date); } } else { - String dbrev = databasePDBrev.getColumn("date").getStringData(rowIndex); + String dbrev = databasePDBrev.getDate().get(rowIndex); try { Date mod = DATE_FORMAT.parse(dbrev); pdbHeader.setModDate(mod); @@ -587,7 +607,7 @@ public void consumeDatabasePDBrev(Category databasePDBrev) { } @Override - public void consumeDatabasePDBrevRecord(Category databasePDBrevRecord) { + public void consumeDatabasePDBrevRecord(DatabasePDBRevRecord databasePDBrevRecord) { List revRecords = pdbHeader.getRevisionRecords(); if (revRecords == null) { revRecords = new ArrayList<>(); @@ -620,17 +640,17 @@ public void consumeEntityPoly(EntityPoly entityPoly) { } @Override - public void consumeEntitySrcGen(Category entitySrcGen) { + public void consumeEntitySrcGen(EntitySrcGen entitySrcGen) { this.entitySrcGen = entitySrcGen; } @Override - public void consumeEntitySrcNat(Category entitySrcNat) { + public void consumeEntitySrcNat(EntitySrcNat entitySrcNat) { this.entitySrcNat = entitySrcNat; } @Override - public void consumeEntitySrcSyn(Category entitySrcSyn) { + public void consumeEntitySrcSyn(PdbxEntitySrcSyn entitySrcSyn) { this.entitySrcSyn = entitySrcSyn; } @@ -700,26 +720,26 @@ public void consumeExptl(Exptl exptl) { } @Override - public void consumePdbxAuditRevisionHistory(Category pdbxAuditRevisionHistory) { + public void consumePdbxAuditRevisionHistory(PdbxAuditRevisionHistory pdbxAuditRevisionHistory) { for (int rowIndex = 0; rowIndex < pdbxAuditRevisionHistory.getRowCount(); rowIndex++) { // first entry in revision history is the release date - if ("1".equals(pdbxAuditRevisionHistory.getColumn("ordinal").getStringData(rowIndex))) { - String release = pdbxAuditRevisionHistory.getColumn("revision_date").getStringData(rowIndex); + if (pdbxAuditRevisionHistory.getOrdinal().get(rowIndex) == 1) { + String release = pdbxAuditRevisionHistory.getRevisionDate().get(rowIndex); try { Date releaseDate = DATE_FORMAT.parse(release); pdbHeader.setRelDate(releaseDate); - } catch (ParseException e){ + } catch (ParseException e) { logger.warn("Could not parse date string '{}', release date will be unavailable", release); } } else { // all other dates are revision dates; // since this method may be called multiple times, // the last revision date will "stick" - String revision = pdbxAuditRevisionHistory.getColumn("revision_date").getStringData(rowIndex); + String revision = pdbxAuditRevisionHistory.getRevisionDate().get(rowIndex); try { Date revisionDate = DATE_FORMAT.parse(revision); pdbHeader.setModDate(revisionDate); - } catch (ParseException e){ + } catch (ParseException e) { logger.warn("Could not parse date string '{}', revision date will be unavailable", revision); } } @@ -732,12 +752,12 @@ public void consumePdbxChemCompIdentifier(PdbxChemCompIdentifier pdbxChemCompIde } @Override - public void consumePdbxDatabaseStatus(Category pdbxDatabaseStatus) { + public void consumePdbxDatabaseStatus(PdbxDatabaseStatus pdbxDatabaseStatus) { for (int rowIndex = 0; rowIndex < pdbxDatabaseStatus.getRowCount(); rowIndex++) { // the deposition date field is only available in mmCIF 5.0 - Column col = pdbxDatabaseStatus.getColumn("recvd_initial_deposition_date"); + RecvdInitialDepositionDate col = pdbxDatabaseStatus.getRecvdInitialDepositionDate(); if (col.isDefined()) { - String deposition = col.getStringData(rowIndex); + String deposition = col.get(rowIndex); try { Date depositionDate = DATE_FORMAT.parse(deposition); @@ -805,55 +825,42 @@ public void consumePdbxStructOperList(PdbxStructOperList pdbxStructOperList) { } @Override - public void consumeRefine(Category refine) { + public void consumeRefine(Refine refine) { for (int rowIndex = 0; rowIndex < refine.getRowCount(); rowIndex++) { // RESOLUTION // in very rare cases (for instance hybrid methods x-ray + neutron diffraction, e.g. 3ins, 4n9m) // there are 2 resolution values, one for each method // we take the last one found so that behaviour is like in PDB file parsing - String lsDResHigh = refine.getColumn("ls_d_res_high").getStringData(rowIndex); + double lsDResHigh = refine.getLsDResHigh().get(rowIndex); if (pdbHeader.getResolution() != PDBHeader.DEFAULT_RESOLUTION) { logger.warn("More than 1 resolution value present, will use last one {} and discard previous {}", lsDResHigh, String.format("%4.2f",pdbHeader.getResolution())); } - try { - pdbHeader.setResolution(Float.parseFloat(lsDResHigh)); - } catch (NumberFormatException e) { - logger.info("Could not parse resolution from {} {}", lsDResHigh, e.getMessage()); - } + pdbHeader.setResolution((float) lsDResHigh); - String lsRFactorRFree = refine.getColumn("ls_R_factor_R_free").getStringData(rowIndex); + LsRFactorRFree lsRFactorRFree = refine.getLsRFactorRFree(); // RFREE if (pdbHeader.getRfree() != PDBHeader.DEFAULT_RFREE) { logger.warn("More than 1 Rfree value present, will use last one {} and discard previous {}", lsRFactorRFree, String.format("%4.2f",pdbHeader.getRfree())); } - if (lsRFactorRFree.isEmpty()) { + if (lsRFactorRFree.isDefined()) { + pdbHeader.setRfree((float) lsRFactorRFree.get(rowIndex)); + } else { // some entries like 2ifo haven't got this field at all logger.info("_refine.ls_R_factor_R_free not present, not parsing Rfree value"); - } else { - try { - pdbHeader.setRfree(Float.parseFloat(lsRFactorRFree)); - } catch (NumberFormatException e) { - // no rfree present ('?') is very usual, that's why we set it to debug - logger.debug("Could not parse Rfree from string '{}'", lsRFactorRFree); - } } // RWORK - String lsRFactorRWork = refine.getColumn("ls_R_factor_R_work").getStringData(rowIndex); + LsRFactorRWork lsRFactorRWork = refine.getLsRFactorRWork(); if(pdbHeader.getRwork() != PDBHeader.DEFAULT_RFREE) { logger.warn("More than 1 R work value present, will use last one {} and discard previous {} ", lsRFactorRWork, String.format("%4.2f",pdbHeader.getRwork())); } - if (lsRFactorRWork.isEmpty()) { - logger.info("_refine.ls_R_factor_R_work not present, not parsing R-work value"); + if (lsRFactorRWork.isDefined()) { + pdbHeader.setRwork((float) lsRFactorRWork.get(rowIndex)); } else { - try { - pdbHeader.setRwork(Float.parseFloat(lsRFactorRWork)); - } catch (NumberFormatException e) { - logger.debug("Could not parse R-work from string '{}'", lsRFactorRWork); - } + logger.info("_refine.ls_R_factor_R_work not present, not parsing R-work value"); } } } @@ -892,6 +899,7 @@ public void consumeStructConnType(StructConnType structConnType) { @Override public void consumeStructKeywords(StructKeywords structKeywords) { PdbxKeywords pdbxKeywords = structKeywords.getPdbxKeywords(); + // TODO what is the correct format for these? pdbHeader.setDescription(pdbxKeywords.values().collect(Collectors.joining(", "))); pdbHeader.setClassification(pdbxKeywords.values().collect(Collectors.joining(", "))); } @@ -902,29 +910,29 @@ public void consumeStructNcsOper(StructNcsOper structNcsOper) { } @Override - public void consumeStructRef(Category structRef) { + public void consumeStructRef(StructRef structRef) { this.structRef = structRef; } @Override - public void consumeStructRefSeq(Category structRefSeq) { + public void consumeStructRefSeq(StructRefSeq structRefSeq) { for (int rowIndex = 0; rowIndex < structRefSeq.getRowCount(); rowIndex++) { - String refId = structRefSeq.getColumn("ref_id").getStringData(rowIndex); + String refId = structRefSeq.getRefId().get(rowIndex); DBRef dbRef = new DBRef(); - dbRef.setIdCode(structRefSeq.getColumn("pdbx_PDB_id_code").getStringData(rowIndex)); - dbRef.setDbAccession(structRefSeq.getColumn("pdbx_db_accession").getStringData(rowIndex)); - dbRef.setDbIdCode(structRefSeq.getColumn("pdbx_db_accession").getStringData(rowIndex)); - dbRef.setChainName(structRefSeq.getColumn("pdbx_strand_id").getStringData(rowIndex)); + dbRef.setIdCode(structRefSeq.getPdbxPDBIdCode().get(rowIndex)); + dbRef.setDbAccession(structRefSeq.getPdbxDbAccession().get(rowIndex)); + dbRef.setDbIdCode(structRefSeq.getPdbxDbAccession().get(rowIndex)); + dbRef.setChainName(structRefSeq.getPdbxStrandId().get(rowIndex)); OptionalInt structRefRowIndex = IntStream.range(0, structRef.getRowCount()) - .filter(i -> structRef.getColumn("id").getStringData(i).equals(refId)) + .filter(i -> structRef.getId().get(i).equals(refId)) .findFirst(); if (structRefRowIndex.isPresent()) { - dbRef.setDatabase(structRef.getColumn("db_name").getStringData(structRefRowIndex.getAsInt())); - dbRef.setDbIdCode(structRef.getColumn("db_code").getStringData(structRefRowIndex.getAsInt())); + dbRef.setDatabase(structRef.getDbName().get(structRefRowIndex.getAsInt())); + dbRef.setDbIdCode(structRef.getDbCode().get(structRefRowIndex.getAsInt())); } else { logger.info("could not find StructRef `{} for StructRefSeq {}", refId, rowIndex); } @@ -933,8 +941,8 @@ public void consumeStructRefSeq(Category structRefSeq) { int seqEnd; try { - seqBegin = Integer.parseInt(structRefSeq.getColumn("pdbx_auth_seq_align_beg").getStringData(rowIndex)); - seqEnd = Integer.parseInt(structRefSeq.getColumn("pdbx_auth_seq_align_end").getStringData(rowIndex)); + seqBegin = Integer.parseInt(structRefSeq.getPdbxAuthSeqAlignBeg().get(rowIndex)); + seqEnd = Integer.parseInt(structRefSeq.getPdbxAuthSeqAlignEnd().get(rowIndex)); } catch (NumberFormatException e) { // this happens in a few entries, annotation error? e.g. 6eoj logger.warn("Couldn't parse pdbx_auth_seq_align_beg/end in _struct_ref_seq. Will not store dbref " + @@ -943,13 +951,13 @@ public void consumeStructRefSeq(Category structRefSeq) { } char beginInsCode = ' '; - String pdbxSeqAlignBegInsCode = structRefSeq.getColumn("pdbx_seq_align_beg_ins_code").getStringData(rowIndex); + String pdbxSeqAlignBegInsCode = structRefSeq.getPdbxSeqAlignBegInsCode().get(rowIndex); if (pdbxSeqAlignBegInsCode.length() > 0) { beginInsCode = pdbxSeqAlignBegInsCode.charAt(0); } char endInsCode = ' '; - String pdbxSeqAlignEndInsCode = structRefSeq.getColumn("pdbx_seq_align_end_ins_code").getStringData(rowIndex); + String pdbxSeqAlignEndInsCode = structRefSeq.getPdbxSeqAlignEndInsCode().get(rowIndex); if (pdbxSeqAlignEndInsCode.length() > 0) { endInsCode = pdbxSeqAlignEndInsCode.charAt(0); } @@ -966,22 +974,22 @@ public void consumeStructRefSeq(Category structRefSeq) { dbRef.setSeqEnd(seqEnd); dbRef.setInsertEnd(endInsCode); - int dbSeqBegin = Integer.parseInt(structRefSeq.getColumn("db_align_beg").getStringData(rowIndex)); - int dbSeqEnd = Integer.parseInt(structRefSeq.getColumn("db_align_end").getStringData(rowIndex)); + int dbSeqBegin = structRefSeq.getDbAlignBeg().get(rowIndex); + int dbSeqEnd = structRefSeq.getDbAlignEnd().get(rowIndex); char dbBeginInsCode = ' '; - Column pdbxDbAlignBegInsCodeCol = structRefSeq.getColumn("pdbx_db_align_beg_ins_code"); + PdbxDbAlignBegInsCode pdbxDbAlignBegInsCodeCol = structRefSeq.getPdbxDbAlignBegInsCode(); if (pdbxDbAlignBegInsCodeCol.isDefined()) { - String pdbxDbAlignBegInsCode = pdbxDbAlignBegInsCodeCol.getStringData(rowIndex); + String pdbxDbAlignBegInsCode = pdbxDbAlignBegInsCodeCol.get(rowIndex); if (pdbxDbAlignBegInsCode.length() > 0) { dbBeginInsCode = pdbxDbAlignBegInsCode.charAt(0); } } char dbEndInsCode = ' '; - Column pdbxDbAlignEndInsCodeCol = structRefSeq.getColumn("pdbx_db_align_end_ins_code"); + PdbxDbAlignEndInsCode pdbxDbAlignEndInsCodeCol = structRefSeq.getPdbxDbAlignEndInsCode(); if (pdbxDbAlignEndInsCodeCol.isDefined()) { - String pdbxDbAlignEndInsCode = pdbxDbAlignEndInsCodeCol.getStringData(rowIndex); + String pdbxDbAlignEndInsCode = pdbxDbAlignEndInsCodeCol.get(rowIndex); if (pdbxDbAlignEndInsCode.length() > 0) { dbEndInsCode = pdbxDbAlignEndInsCode.charAt(0); } @@ -1012,7 +1020,7 @@ public void consumeStructRefSeq(Category structRefSeq) { } @Override - public void consumeStructRefSeqDif(Category structRefSeqDif) { + public void consumeStructRefSeqDif(StructRefSeqDif structRefSeqDif) { this.structRefSeqDif = structRefSeqDif; } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java index 03ada1fa9c..d1928aafde 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java @@ -30,28 +30,27 @@ public static Structure convert(CifFile cifFile, FileParsingParameters parameter consumer.prepare(); // feed individual categories to consumer - Block cifBlock = cifFile.getBlocks().get(0); + Block cifBlock = cifFile.getFirstBlock(); - // TODO maybe integrate rogue categories into Cif schema - consumer.consumeAuditAuthor(cifBlock.getCategory("audit_author")); + consumer.consumeAuditAuthor(cifBlock.getAuditAuthor()); consumer.consumeAtomSite(cifBlock.getAtomSite()); consumer.consumeAtomSites(cifBlock.getAtomSites()); consumer.consumeCell(cifBlock.getCell()); consumer.consumeChemComp(cifBlock.getChemComp()); consumer.consumeChemCompBond(cifBlock.getChemCompBond()); - consumer.consumeDatabasePDBremark(cifBlock.getCategory("database_PDB_remark")); - consumer.consumeDatabasePDBrev(cifBlock.getCategory("database_PDB_rev")); - consumer.consumeDatabasePDBrevRecord(cifBlock.getCategory("database_PDB_rev_record")); + consumer.consumeDatabasePDBremark(cifBlock.getDatabasePDBRemark()); + consumer.consumeDatabasePDBrev(cifBlock.getDatabasePDBRev()); + consumer.consumeDatabasePDBrevRecord(cifBlock.getDatabasePDBRevRecord()); consumer.consumeEntity(cifBlock.getEntity()); consumer.consumeEntityPoly(cifBlock.getEntityPoly()); - consumer.consumeEntitySrcGen(cifBlock.getCategory("entity_src_gen")); - consumer.consumeEntitySrcNat(cifBlock.getCategory("entity_src_nat")); - consumer.consumeEntitySrcSyn(cifBlock.getCategory("entity_src_syn")); + consumer.consumeEntitySrcGen(cifBlock.getEntitySrcGen()); + consumer.consumeEntitySrcNat(cifBlock.getEntitySrcNat()); + consumer.consumeEntitySrcSyn(cifBlock.getPdbxEntitySrcSyn()); consumer.consumeEntityPolySeq(cifBlock.getEntityPolySeq()); consumer.consumeExptl(cifBlock.getExptl()); - consumer.consumePdbxAuditRevisionHistory(cifBlock.getCategory("pdbx_audit_revision_history")); + consumer.consumePdbxAuditRevisionHistory(cifBlock.getPdbxAuditRevisionHistory()); consumer.consumePdbxChemCompIdentifier(cifBlock.getPdbxChemCompIdentifier()); - consumer.consumePdbxDatabaseStatus(cifBlock.getCategory("pdbx_database_status")); + consumer.consumePdbxDatabaseStatus(cifBlock.getPdbxDatabaseStatus()); consumer.consumePdbxEntityDescriptor(cifBlock.getPdbxEntityDescriptor()); consumer.consumePdbxMolecule(cifBlock.getPdbxMolecule()); consumer.consumePdbxMoleculeFeatures(cifBlock.getPdbxMoleculeFeatures()); @@ -63,7 +62,7 @@ public static Structure convert(CifFile cifFile, FileParsingParameters parameter consumer.consumePdbxStructAssemblyGen(cifBlock.getPdbxStructAssemblyGen()); consumer.consumePdbxStructModResidue(cifBlock.getPdbxStructModResidue()); consumer.consumePdbxStructOperList(cifBlock.getPdbxStructOperList()); - consumer.consumeRefine(cifBlock.getCategory("refine")); + consumer.consumeRefine(cifBlock.getRefine()); consumer.consumeStruct(cifBlock.getStruct()); consumer.consumeStructAsym(cifBlock.getStructAsym()); consumer.consumeStructConf(cifBlock.getStructConf()); @@ -71,9 +70,9 @@ public static Structure convert(CifFile cifFile, FileParsingParameters parameter consumer.consumeStructConnType(cifBlock.getStructConnType()); consumer.consumeStructKeywords(cifBlock.getStructKeywords()); consumer.consumeStructNcsOper(cifBlock.getStructNcsOper()); - consumer.consumeStructRef(cifBlock.getCategory("struct_ref")); - consumer.consumeStructRefSeq(cifBlock.getCategory("struct_ref_seq")); - consumer.consumeStructRefSeqDif(cifBlock.getCategory("struct_ref_seq_dif")); + consumer.consumeStructRef(cifBlock.getStructRef()); + consumer.consumeStructRefSeq(cifBlock.getStructRefSeq()); + consumer.consumeStructRefSeqDif(cifBlock.getStructRefSeqDif()); consumer.consumeStructSheetRange(cifBlock.getStructSheetRange()); consumer.consumeStructSite(cifBlock.getStructSite()); consumer.consumeStructSiteGen(cifBlock.getStructSiteGen()); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java index 992c66de9d..b720a2bb05 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java @@ -3,11 +3,9 @@ import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.xtal.CrystalCell; import org.biojava.nbio.structure.xtal.SpaceGroup; -import org.rcsb.cif.model.Block; import org.rcsb.cif.model.Category; import org.rcsb.cif.model.CifFile; -import org.rcsb.cif.model.Column; -import org.rcsb.cif.model.atomsite.AtomSite; +import org.rcsb.cif.model.builder.*; import java.util.ArrayList; import java.util.LinkedHashMap; @@ -32,9 +30,9 @@ public CifFile get(Structure structure) { SpaceGroup spaceGroup = structure.getPDBHeader().getCrystallographicInfo().getSpaceGroup(); // atom_site List wrappedAtoms = collectWrappedAtoms(structure); - AtomSite atomSite = wrappedAtoms.stream().collect(toAtomSite()); + Category atomSite = wrappedAtoms.stream().collect(toAtomSite()); - Block.BlockBuilder blockBuilder = CifFile.enterFile() + BlockBuilder blockBuilder = new CifBuilder() .enterBlock(structure.getPDBCode()); if (atomSite.isDefined() && atomSite.getRowCount() > 0) { @@ -44,38 +42,38 @@ public CifFile get(Structure structure) { if (crystalCell != null) { // set cell category - blockBuilder.enterCategory("cell") - .enterFloatColumn("length_a") - .floatValues(crystalCell.getA()) + blockBuilder.enterCell() + .enterLengthA() + .add(crystalCell.getA()) .leaveColumn() - .enterFloatColumn("length_b") - .floatValues(crystalCell.getB()) + .enterLengthB() + .add(crystalCell.getB()) .leaveColumn() - .enterFloatColumn("length_c") - .floatValues(crystalCell.getC()) + .enterLengthC() + .add(crystalCell.getC()) .leaveColumn() - .enterFloatColumn("angle_alpha") - .floatValues(crystalCell.getAlpha()) + .enterAngleAlpha() + .add(crystalCell.getAlpha()) .leaveColumn() - .enterFloatColumn("angle_beta") - .floatValues(crystalCell.getBeta()) + .enterAngleBeta() + .add(crystalCell.getBeta()) .leaveColumn() - .enterFloatColumn("angle_gamma") - .floatValues(crystalCell.getGamma()) + .enterAngleGamma() + .add(crystalCell.getGamma()) .leaveColumn() .leaveCategory(); } if (spaceGroup != null) { // set symmetry category - blockBuilder.enterCategory("symmetry") - .enterStrColumn("space_group_name_H-M") - .stringValues(spaceGroup.getShortSymbol()) + blockBuilder.enterSymmetry() + .enterSpaceGroupNameH_M() + .add(spaceGroup.getShortSymbol()) .leaveColumn() .leaveCategory(); } @@ -170,7 +168,7 @@ public int getAtomId() { } } - private static Collector toAtomSite() { + private static Collector toAtomSite() { return Collector.of(AtomSiteCollector::new, AtomSiteCollector::accept, AtomSiteCollector::combine, @@ -178,48 +176,49 @@ public int getAtomId() { } static class AtomSiteCollector implements Consumer { - private final Column.StrColumnBuilder groupPDB; - private final Column.IntColumnBuilder id; - private final Column.StrColumnBuilder typeSymbol; - private final Column.StrColumnBuilder labelAtomId; - private final Column.StrColumnBuilder labelAltId; - private final Column.StrColumnBuilder labelCompId; - private final Column.StrColumnBuilder labelAsymId; - private final Column.StrColumnBuilder labelEntityId; - private final Column.IntColumnBuilder labelSeqId; - private final Column.StrColumnBuilder pdbxPDBInsCode; - private final Column.FloatColumnBuilder cartnX; - private final Column.FloatColumnBuilder cartnY; - private final Column.FloatColumnBuilder cartnZ; - private final Column.FloatColumnBuilder occupancy; - private final Column.FloatColumnBuilder bIsoOrEquiv; - private final Column.IntColumnBuilder authSeqId; - private final Column.StrColumnBuilder authCompId; - private final Column.StrColumnBuilder authAsymId; - private final Column.StrColumnBuilder authAtomId; - private final Column.IntColumnBuilder pdbxPDBModelNum; + private final StrColumnBuilder groupPDB; + private final IntColumnBuilder id; + private final StrColumnBuilder typeSymbol; + private final StrColumnBuilder labelAtomId; + private final StrColumnBuilder labelAltId; + private final StrColumnBuilder labelCompId; + private final StrColumnBuilder labelAsymId; + private final StrColumnBuilder labelEntityId; + private final IntColumnBuilder labelSeqId; + private final StrColumnBuilder pdbxPDBInsCode; + private final FloatColumnBuilder cartnX; + private final FloatColumnBuilder cartnY; + private final FloatColumnBuilder cartnZ; + private final FloatColumnBuilder occupancy; + private final FloatColumnBuilder bIsoOrEquiv; + private final IntColumnBuilder authSeqId; + private final StrColumnBuilder authCompId; + private final StrColumnBuilder authAsymId; + private final StrColumnBuilder authAtomId; + private final IntColumnBuilder pdbxPDBModelNum; AtomSiteCollector() { - this.groupPDB = Column.enterStrColumn("atom_site", "group_PDB"); - this.id = Column.enterIntColumn("atom_site", "id"); - this.typeSymbol = Column.enterStrColumn("atom_site", "type_symbol"); - this.labelAtomId = Column.enterStrColumn("atom_site", "label_atom_id"); - this.labelAltId = Column.enterStrColumn("atom_site", "label_alt_id"); - this.labelCompId = Column.enterStrColumn("atom_site", "label_comp_id"); - this.labelAsymId = Column.enterStrColumn("atom_site", "label_asym_id"); - this.labelEntityId = Column.enterStrColumn("atom_site", "label_entity_id"); - this.labelSeqId = Column.enterIntColumn("atom_site", "label_seq_id"); - this.pdbxPDBInsCode = Column.enterStrColumn("atom_site", "pdbx_PDB_ins_code"); - this.cartnX = Column.enterFloatColumn("atom_site", "Cartn_x"); - this.cartnY = Column.enterFloatColumn("atom_site", "Cartn_y"); - this.cartnZ = Column.enterFloatColumn("atom_site", "Cartn_z"); - this.occupancy = Column.enterFloatColumn("atom_site", "occupancy"); - this.bIsoOrEquiv = Column.enterFloatColumn("atom_site", "B_iso_or_equiv"); - this.authSeqId = Column.enterIntColumn("atom_site", "auth_seq_id"); - this.authCompId = Column.enterStrColumn("atom_site", "auth_comp_id"); - this.authAsymId = Column.enterStrColumn("atom_site", "auth_asym_id"); - this.authAtomId = Column.enterStrColumn("atom_site", "auth_atom_id"); - this.pdbxPDBModelNum = Column.enterIntColumn("atom_site", "pdbx_PDB_model_num"); + // TODO this doesn't really make the case for the builder ;) + this.groupPDB = new StrColumnBuilder<>("atom_site", "group_PDB", null); + this.id = new IntColumnBuilder<>("atom_site", "id", null); + this.typeSymbol = new StrColumnBuilder<>("atom_site", "type_symbol", null); + this.labelAtomId = new StrColumnBuilder<>("atom_site", "label_atom_id", null); + this.labelAltId = new StrColumnBuilder<>("atom_site", "label_alt_id", null); + this.labelCompId = new StrColumnBuilder<>("atom_site", "label_comp_id", null); + this.labelAsymId = new StrColumnBuilder<>("atom_site", "label_asym_id", null); + this.labelEntityId = new StrColumnBuilder<>("atom_site", "label_entity_id", null); + this.labelSeqId = new IntColumnBuilder<>("atom_site", "label_seq_id", null); + this.pdbxPDBInsCode = new StrColumnBuilder<>("atom_site", "pdbx_PDB_ins_code", null); + this.cartnX = new FloatColumnBuilder<>("atom_site", "Cartn_x", null); + this.cartnY = new FloatColumnBuilder<>("atom_site", "Cartn_y", null); + this.cartnZ = new FloatColumnBuilder<>("atom_site", "Cartn_z", null); + this.occupancy = new FloatColumnBuilder<>("atom_site", "occupancy", null); + this.bIsoOrEquiv = new FloatColumnBuilder<>("atom_site", "B_iso_or_equiv", null); + this.authSeqId = new IntColumnBuilder<>("atom_site", "auth_seq_id", null); + this.authCompId = new StrColumnBuilder<>("atom_site", "auth_comp_id", null); + this.authAsymId = new StrColumnBuilder<>("atom_site", "auth_asym_id", null); + this.authAtomId = new StrColumnBuilder<>("atom_site", "auth_atom_id", null); + this.pdbxPDBModelNum = new IntColumnBuilder<>("atom_site", "pdbx_PDB_model_num", null); } @Override @@ -228,19 +227,19 @@ public void accept(WrappedAtom wrappedAtom) { Group group = atom.getGroup(); Chain chain = group.getChain(); - groupPDB.stringValues(group.getType().equals(GroupType.HETATM) ? "HETATM" : "ATOM"); - id.intValues(wrappedAtom.getAtomId()); + groupPDB.add(group.getType().equals(GroupType.HETATM) ? "HETATM" : "ATOM"); + id.add(wrappedAtom.getAtomId()); Element element = atom.getElement(); - typeSymbol.stringValues(element.equals(Element.R) ? "X" : element.toString().toUpperCase()); - labelAtomId.stringValues(atom.getName()); + typeSymbol.add(element.equals(Element.R) ? "X" : element.toString().toUpperCase()); + labelAtomId.add(atom.getName()); Character altLoc = atom.getAltLoc(); if (altLoc == null || altLoc == ' ') { labelAltId.markNextNotPresent(); } else { - labelAltId.stringValues(String.valueOf(altLoc)); + labelAltId.add(String.valueOf(altLoc)); } - labelCompId.stringValues(group.getPDBName()); - labelAsymId.stringValues(wrappedAtom.getChainId()); + labelCompId.add(group.getPDBName()); + labelAsymId.add(wrappedAtom.getChainId()); String entityId = "0"; int seqId = group.getResidueNumber().getSeqNum(); if (chain.getEntityInfo() != null) { @@ -251,8 +250,8 @@ public void accept(WrappedAtom wrappedAtom) { seqId = chain.getEntityInfo().getAlignedResIndex(group, chain); } } - labelEntityId.stringValues(entityId); - labelSeqId.intValues(seqId); + labelEntityId.add(entityId); + labelSeqId.add(seqId); String insCode = ""; if (group.getResidueNumber().getInsCode() != null ) { insCode = Character.toString(group.getResidueNumber().getInsCode()); @@ -260,18 +259,18 @@ public void accept(WrappedAtom wrappedAtom) { if (insCode.isEmpty()) { pdbxPDBInsCode.markNextUnknown(); } else { - pdbxPDBInsCode.stringValues(insCode); + pdbxPDBInsCode.add(insCode); } - cartnX.floatValues(atom.getX()); - cartnY.floatValues(atom.getY()); - cartnZ.floatValues(atom.getZ()); - occupancy.floatValues(atom.getOccupancy()); - bIsoOrEquiv.floatValues(atom.getTempFactor()); - authSeqId.intValues(group.getResidueNumber().getSeqNum()); - authCompId.stringValues(group.getPDBName()); - authAsymId.stringValues(wrappedAtom.getChainName()); - authAtomId.stringValues(atom.getName()); - pdbxPDBModelNum.intValues(wrappedAtom.getModel()); + cartnX.add(atom.getX()); + cartnY.add(atom.getY()); + cartnZ.add(atom.getZ()); + occupancy.add(atom.getOccupancy()); + bIsoOrEquiv.add(atom.getTempFactor()); + authSeqId.add(group.getResidueNumber().getSeqNum()); + authCompId.add(group.getPDBName()); + authAsymId.add(wrappedAtom.getChainName()); + authAtomId.add(atom.getName()); + pdbxPDBModelNum.add(wrappedAtom.getModel()); } AtomSiteCollector combine(AtomSiteCollector other) { @@ -279,35 +278,29 @@ AtomSiteCollector combine(AtomSiteCollector other) { } @SuppressWarnings("Duplicates") - AtomSite get() { - Map columns = new LinkedHashMap<>(); - put(columns, groupPDB.build()); - put(columns, groupPDB.build()); - put(columns, id.build()); - put(columns, typeSymbol.build()); - put(columns, labelAtomId.build()); - put(columns, labelAltId.build()); - put(columns, labelCompId.build()); - put(columns, labelAsymId.build()); - put(columns, labelEntityId.build()); - put(columns, labelSeqId.build()); - put(columns, pdbxPDBInsCode.build()); - put(columns, cartnX.build()); - put(columns, cartnY.build()); - put(columns, cartnZ.build()); - put(columns, occupancy.build()); - put(columns, bIsoOrEquiv.build()); - put(columns, authSeqId.build()); - put(columns, authCompId.build()); - put(columns, authAsymId.build()); - put(columns, authAtomId.build()); - put(columns, pdbxPDBModelNum.build()); - - return (AtomSite) Category.enterCategory("atom_site", columns, null).build(); - } - - private void put(Map columns, Column column) { - columns.put(column.getColumnName(), column); + Category get() { + return new CategoryBuilder("atom_site", null) + .addColumn(groupPDB.build()) + .addColumn(id.build()) + .addColumn(typeSymbol.build()) + .addColumn(labelAtomId.build()) + .addColumn(labelAltId.build()) + .addColumn(labelCompId.build()) + .addColumn(labelAsymId.build()) + .addColumn(labelEntityId.build()) + .addColumn(labelSeqId.build()) + .addColumn(pdbxPDBInsCode.build()) + .addColumn(cartnX.build()) + .addColumn(cartnY.build()) + .addColumn(cartnZ.build()) + .addColumn(occupancy.build()) + .addColumn(bIsoOrEquiv.build()) + .addColumn(authSeqId.build()) + .addColumn(authCompId.build()) + .addColumn(authAsymId.build()) + .addColumn(authAtomId.build()) + .addColumn(pdbxPDBModelNum.build()) + .build(); } } } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java index 7df716f1f7..ee8b7caa57 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java @@ -1,10 +1,7 @@ package org.biojava.nbio.structure.io.cif; import org.biojava.nbio.structure.*; -import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.*; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import org.junit.Test; import org.rcsb.cif.CifReader; import org.rcsb.cif.model.CifFile; @@ -27,70 +24,13 @@ public class CifFileConsumerImplTest { // TODO use test resources provided by integration-test module - @Test - public void testEntityId() throws IOException, StructureException { - // Set up the atom cache to parse on Internal chain id - AtomCache cache = new AtomCache(); - cache.setUseCif(true); - FileParsingParameters params = cache.getFileParsingParams(); - - DownloadChemCompProvider cc = new DownloadChemCompProvider(); - ChemCompGroupFactory.setChemCompProvider(cc); - cc.checkDoFirstInstall(); - cache.setFileParsingParams(params); - StructureIO.setAtomCache(cache); - // This is hte information we want to test against - String[] typeInformation = new String[] {"POLYMER", "NONPOLYMER", "NONPOLYMER", "NONPOLYMER", "NONPOLYMER", "WATER"}; - String[] descriptionInformation = new String[] {"BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B","4-Fluorobenzamidoxime", "METHANOL", "METHANOL", "METHANOL", "water"}; - - // Now some other information fields to test this data is collated correctly - String[] geneSourceSciName = new String[] {"HOMO SAPIENS", null, null, null, null, null}; - String[] geneSourceTaxId = new String[] {"9606", null, null, null, null, null}; - String[] hostOrganismSciName = new String[] {"ESCHERICHIA COLI", null, null, null, null, null}; - String[] hostOrganismTaxId = new String[] {"469008", null, null, null, null, null}; - - /// TODO GET ALL THE ENTITY INFORMATION REQUIRED FOR 4CUP - // Get this structure - Structure bioJavaStruct = StructureIO.getStructure("4cup"); - String[] testTypeInfo = new String[6]; - String[] testDescInfo = new String[6]; - - String[] testGeneSourceSciName = new String[6]; - String[] testGeneSourceTaxId = new String[6]; - String[] testHostOrganismSciName = new String[6]; - String[] testHostOrganismTaxId = new String[6]; - - // Now loop through the structure - int chainCounter = 0; - for (Chain c: bioJavaStruct.getChains()) { - // Now get the entity information we want to test - EntityInfo thisCmpd = c.getEntityInfo(); - testTypeInfo[chainCounter] = thisCmpd.getType().toString(); - testDescInfo[chainCounter] = thisCmpd.getDescription(); - testGeneSourceSciName[chainCounter] = thisCmpd.getOrganismScientific(); - testGeneSourceTaxId[chainCounter] = thisCmpd.getOrganismTaxId(); - testHostOrganismSciName[chainCounter] = thisCmpd.getExpressionSystem(); - testHostOrganismTaxId[chainCounter] = thisCmpd.getExpressionSystemTaxId(); - - chainCounter++; - } - // Now check they're both the same - assertArrayEquals(descriptionInformation, testDescInfo); - assertArrayEquals(typeInformation, testTypeInfo); - // Now check these work too - assertArrayEquals(geneSourceSciName, testGeneSourceSciName); - assertArrayEquals(geneSourceTaxId, testGeneSourceTaxId); - assertArrayEquals(hostOrganismSciName, testHostOrganismSciName); - assertArrayEquals(hostOrganismTaxId, testHostOrganismTaxId); - } - /** * Test parsing dates from MMCIF file version 4. */ @Test public void testDatesV4() throws IOException, ParseException { - InputStream inputStream = getClass().getResourceAsStream("org/biojava/nbio/structure/io/mmcif/1stp_v4.cif"); - Objects.requireNonNull(inputStream, "could not acquire test resource org/biojava/nbio/structure/io/mmcif/1stp_v4.cif"); + InputStream inputStream = getClass().getResourceAsStream("/org/biojava/nbio/structure/io/mmcif/1stp_v4.cif"); + Objects.requireNonNull(inputStream, "could not acquire test resource /org/biojava/nbio/structure/io/mmcif/1stp_v4.cif"); Structure s = new CifFileReader().getStructure(inputStream); SimpleDateFormat dateFormat = new SimpleDateFormat("yyyy-MM-dd", Locale.US); @@ -110,8 +50,8 @@ public void testDatesV4() throws IOException, ParseException { */ @Test public void testDatesV5() throws IOException, ParseException { - InputStream inputStream = getClass().getResourceAsStream("org/biojava/nbio/structure/io/mmcif/1stp_v5.cif"); - Objects.requireNonNull(inputStream, "could not acquire test resource org/biojava/nbio/structure/io/mmcif/1stp_v5.cif"); + InputStream inputStream = getClass().getResourceAsStream("/org/biojava/nbio/structure/io/mmcif/1stp_v5.cif"); + Objects.requireNonNull(inputStream, "could not acquire test resource /org/biojava/nbio/structure/io/mmcif/1stp_v5.cif"); Structure s = new CifFileReader().getStructure(inputStream); SimpleDateFormat dateFormat = new SimpleDateFormat("yyyy-MM-dd", Locale.US); @@ -193,7 +133,6 @@ public void testNewLigandChain() throws IOException { @Test public void testWaterOnlyChainCif() throws IOException { - // following file is cut-down versions of 4a10 InputStream cifStream = new GZIPInputStream(getClass().getResourceAsStream("/org/biojava/nbio/structure/io/4a10_short.cif.gz")); @@ -268,7 +207,7 @@ public void specialCases() throws IOException { "7 1S32 . D . GB 30268542 MET 1 'INTIATING METHIONINE' ? ? 7\n"+ "8 1S32 . H . GB 30268542 MET 1 'INTIATING METHIONINE' ? ? 8\n" + "#" ; - CifFile cifFile = CifReader.parseText(new ByteArrayInputStream(mmcifStr.getBytes())); + CifFile cifFile = CifReader.readText(new ByteArrayInputStream(mmcifStr.getBytes())); Column column = cifFile.getFirstBlock().getCategory("struct_ref_seq_dif").getColumn("seq_num"); assertNotNull(column); @@ -330,7 +269,7 @@ private void doTestLoad() throws IOException { private void comparePDB2cif(String id, String chainId) throws IOException { String fileName = binary ? "/" + id + ".bcif" : "/" + id + ".cif"; System.out.println(fileName); - InputStream inStream = this.getClass().getResourceAsStream(fileName); + InputStream inStream = getClass().getResourceAsStream(fileName); assertNotNull("Could not find file " + fileName + ". Config problem?" , inStream); LocalPDBDirectory reader = binary ? new BcifFileReader() : new CifFileReader(); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java index 9b7d5e105c..4ef2462ec2 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java @@ -4,8 +4,8 @@ import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; import org.junit.Test; -import org.rcsb.cif.text.TextCifReader; -import org.rcsb.cif.text.TextCifWriter; +import org.rcsb.cif.CifReader; +import org.rcsb.cif.CifWriter; import java.io.File; import java.io.FileWriter; @@ -56,12 +56,11 @@ private static void testRoundTrip(String pdbId) throws IOException, StructureExc outputFile.deleteOnExit(); FileWriter fw = new FileWriter(outputFile); - String cif = new TextCifWriter().compose(CifFileConverter.convert(originalStruct)); - System.out.println(cif); + String cif = CifWriter.composeText(CifFileConverter.convert(originalStruct)); fw.write(cif); fw.close(); - Structure readStruct = CifFileConverter.convert(new TextCifReader().parse(Files.newInputStream(outputFile.toPath()))); + Structure readStruct = CifFileConverter.convert(CifReader.readText(Files.newInputStream(outputFile.toPath()))); assertNotNull(readStruct); assertEquals(originalStruct.getChains().size(), readStruct.getChains().size()); @@ -122,7 +121,7 @@ private static void testRoundTrip(String pdbId) throws IOException, StructureExc @Test public void testBiounitWriting() { Structure s = createDummyStructure(); - String mmcif = new TextCifWriter().compose(CifFileConverter.convert(s)); + String mmcif = CifWriter.composeText(CifFileConverter.convert(s)); String[] lines = mmcif.split("\n"); long atomLines = Arrays.stream(lines).filter(l -> l.startsWith("ATOM")).count(); assertNotNull(mmcif); From 6d8e3e7bcdc3a8f029d9ed1b866b8b01efbc0aa8 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Mon, 29 Apr 2019 12:32:18 -0700 Subject: [PATCH 031/821] moves some tests to integration --- .../test/io/cif/CifFileConsumerImplTest.java | 218 + .../test}/io/cif/CifFileSupplierImplTest.java | 3 +- .../src/test/resources/1a4w.bcif | Bin .../src/test/resources/1fdo.bcif | Bin .../src/test/resources/1j59.bcif | Bin .../src/test/resources/2kc9.bcif | Bin .../src/test/resources/5pti.bcif | Bin .../io/cif/CifFileConsumerImplTest.java | 196 - biojava-structure/src/test/resources/1a4w.cif | 4429 --- biojava-structure/src/test/resources/1a4w.pdb | 3148 -- biojava-structure/src/test/resources/1fdo.cif | 8396 ---- biojava-structure/src/test/resources/1fdo.pdb | 6448 --- biojava-structure/src/test/resources/1j59.cif | 6976 ---- biojava-structure/src/test/resources/1j59.pdb | 5307 --- biojava-structure/src/test/resources/2kc9.cif | 32912 ---------------- biojava-structure/src/test/resources/2kc9.pdb | 32297 --------------- biojava-structure/src/test/resources/5pti.cif | 2005 - biojava-structure/src/test/resources/5pti.pdb | 1486 - 18 files changed, 220 insertions(+), 103601 deletions(-) create mode 100644 biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java rename {biojava-structure/src/test/java/org/biojava/nbio/structure => biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test}/io/cif/CifFileSupplierImplTest.java (98%) rename {biojava-structure => biojava-integrationtest}/src/test/resources/1a4w.bcif (100%) rename {biojava-structure => biojava-integrationtest}/src/test/resources/1fdo.bcif (100%) rename {biojava-structure => biojava-integrationtest}/src/test/resources/1j59.bcif (100%) rename {biojava-structure => biojava-integrationtest}/src/test/resources/2kc9.bcif (100%) rename {biojava-structure => biojava-integrationtest}/src/test/resources/5pti.bcif (100%) delete mode 100644 biojava-structure/src/test/resources/1a4w.cif delete mode 100644 biojava-structure/src/test/resources/1a4w.pdb delete mode 100644 biojava-structure/src/test/resources/1fdo.cif delete mode 100644 biojava-structure/src/test/resources/1fdo.pdb delete mode 100644 biojava-structure/src/test/resources/1j59.cif delete mode 100644 biojava-structure/src/test/resources/1j59.pdb delete mode 100644 biojava-structure/src/test/resources/2kc9.cif delete mode 100644 biojava-structure/src/test/resources/2kc9.pdb delete mode 100644 biojava-structure/src/test/resources/5pti.cif delete mode 100644 biojava-structure/src/test/resources/5pti.pdb diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java new file mode 100644 index 0000000000..33e4d0f9b7 --- /dev/null +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java @@ -0,0 +1,218 @@ +package org.biojava.nbio.structure.test.io.cif; + +import org.biojava.nbio.structure.*; +import org.biojava.nbio.structure.io.*; +import org.junit.Test; +import org.rcsb.cif.CifReader; +import org.rcsb.cif.model.CifFile; +import org.rcsb.cif.model.Column; +import org.rcsb.cif.model.ValueKind; + +import java.io.ByteArrayInputStream; +import java.io.IOException; +import java.io.InputStream; +import java.text.ParseException; +import java.text.SimpleDateFormat; +import java.util.Date; +import java.util.List; +import java.util.Locale; +import java.util.Objects; +import java.util.zip.GZIPInputStream; + +import static org.junit.Assert.*; + +public class CifFileConsumerImplTest { + private static boolean headerOnly; + private static boolean binary; + + @Test + public void testLoad() throws IOException { + headerOnly = false; + doTestLoad(); + } + + @Test + public void testLoadHeaderOnly() throws IOException { + headerOnly = true; + doTestLoad(); + } + + @Test + public void testLoadBinary() throws IOException { + headerOnly = false; + binary = true; + doTestLoad(); + } + + @Test + public void testLoadHeaderOnlyBinary() throws IOException { + headerOnly = true; + binary = true; + doTestLoad(); + } + + private void doTestLoad() throws IOException { + // test a simple protein + comparePDB2cif("5pti","A"); + + // test a protein with modified residues + comparePDB2cif("1a4w","L"); + comparePDB2cif("1a4w","H"); + comparePDB2cif("1a4w","I"); + + //non-standard encoded amino acid + comparePDB2cif("1fdo","A"); + + // test a DNA binding protein + comparePDB2cif("1j59","A"); + comparePDB2cif("1j59","E"); + + // test a NMR protein + comparePDB2cif("2kc9","A"); + } + + private void comparePDB2cif(String id, String chainId) throws IOException { + String fileName = binary ? "/" + id + ".bcif" : "/" + id + ".cif"; + System.out.println(fileName); + InputStream inStream = getClass().getResourceAsStream(fileName); + assertNotNull("Could not find file " + fileName + ". Config problem?" , inStream); + + LocalPDBDirectory reader = binary ? new BcifFileReader() : new CifFileReader(); + + FileParsingParameters params = new FileParsingParameters(); + params.setHeaderOnly(headerOnly); + reader.setFileParsingParameters(params); + + Structure cifStructure = reader.getStructure(inStream); + assertNotNull(cifStructure); + + // load the PDB file via the PDB parser + Structure pdbStructure; + InputStream pinStream = this.getClass().getResourceAsStream("/" + id + ".pdb"); + assertNotNull(inStream); + + PDBFileParser pdbParser = new PDBFileParser(); + pdbParser.setFileParsingParameters(params); + + pdbStructure = pdbParser.parsePDBFile(pinStream); + + assertNotNull(pdbStructure); + + // check NMR data + assertEquals(id + ": the isNMR flag is not the same!", + pdbStructure.isNmr(), + cifStructure.isNmr()); + + if ( pdbStructure.isNmr()){ + assertEquals(id + ": the nr of NMR models is not the same!", + pdbStructure.nrModels(), + pdbStructure.nrModels()); + checkNMR(pdbStructure); + checkNMR(cifStructure); + } + + Chain a_pdb = pdbStructure.getPolyChainByPDB(chainId); + Chain a_cif = cifStructure.getPolyChainByPDB(chainId); + + String pdb_SEQseq = a_pdb.getSeqResSequence(); + String cif_SEQseq = a_cif.getSeqResSequence(); + + assertEquals(id + ": the SEQRES sequences don't match!", + pdb_SEQseq, + cif_SEQseq); + + assertEquals(id + ": The nr of ATOM groups does not match!", + a_pdb.getAtomGroups(GroupType.AMINOACID).size(), + a_cif.getAtomGroups(GroupType.AMINOACID).size()); + + // actually this check not necessarily works, since there can be waters in PDB that we don;t deal with yet in cif... + for (int i = 0 ; i < a_pdb.getAtomGroups(GroupType.AMINOACID).size(); i++){ + Group gp = a_pdb.getAtomGroups(GroupType.AMINOACID).get(i); + List cifGroups = a_cif.getAtomGroups(GroupType.AMINOACID); + Group gc = cifGroups.get(i); + checkGroups(gp, gc); + } + + String pdb_seq = a_pdb.getAtomSequence(); + String cif_seq = a_cif.getAtomSequence(); + + assertEquals("the sequences obtained from PDB and mmCif don't match!", pdb_seq, cif_seq); + + List pdb_dbrefs= pdbStructure.getDBRefs(); + List cif_dbrefs= cifStructure.getDBRefs(); + + assertEquals("nr of DBrefs found does not match!", pdb_dbrefs.size(), cif_dbrefs.size()); + + DBRef p = pdb_dbrefs.get(0); + DBRef c = cif_dbrefs.get(0); + + String pdb_dbref = p.toPDB(); + String cif_dbref = c.toPDB(); + assertEquals("DBRef is not equal", pdb_dbref, cif_dbref); + + PDBHeader h1 = pdbStructure.getPDBHeader(); + PDBHeader h2 = cifStructure.getPDBHeader(); + + if (!h1.toPDB().toUpperCase().equals(h2.toPDB().toUpperCase())) { + System.err.println(h1.toPDB()); + System.err.println(h2.toPDB()); + assertEquals(h1.toPDB(), h2.toPDB()); + } + assertEquals("the PDBHeader.toPDB representation is not equivalent", + h1.toPDB().toUpperCase(), + h2.toPDB().toUpperCase()); + } + + private void checkGroups(Group g1, Group g2){ + String pdbId1 = g1.getChain().getStructure().getPDBCode(); + String pdbId2 = g1.getChain().getStructure().getPDBCode(); + assertEquals(pdbId1, pdbId2); + + assertEquals(g1.getType(), g2.getType()); + assertEquals(g1.getResidueNumber().getSeqNum(), g2.getResidueNumber().getSeqNum()); + assertEquals(g1.getResidueNumber().getInsCode(), g2.getResidueNumber().getInsCode()); + assertEquals(g1.getPDBName(), g2.getPDBName()); + assertEquals(g1.has3D(), g2.has3D()); + + assertEquals(g1.hasAltLoc(), g2.hasAltLoc()); + assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":"+ g2, g1.getAltLocs().size(), g2.getAltLocs().size()); + assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":"+ g2, g1.getAtoms().size(), g2.getAtoms().size()); + + if (g1.has3D()){ + Atom a1 = g1.getAtom(0); + Atom a2 = g2.getAtom(0); + if ( a1 == null) + fail("could not get atom for group " + g1); + if (a2 == null) + fail("could not get atom for group " + g2); + assertEquals(a1.getX(),a2.getX(), 0.0001); + assertEquals(a1.getOccupancy(), a2.getOccupancy(), 0.0001); + assertEquals(a1.getTempFactor(), a2.getTempFactor(), 0.0001); + assertEquals(a1.getName(), a2.getName()); + } + } + + private void checkNMR(Structure s){ + assertTrue(s.isNmr()); + int models = s.nrModels(); + assertTrue(models > 0); + List model0 = s.getModel(0); + + // compare with all others + for (int i = 1 ; i < models; i++){ + List modelX = s.getModel(i); + assertEquals(model0.size(),modelX.size()); + + // compare lengths: + for (int j=0 ; j< model0.size(); j++){ + Chain c1 = model0.get(j); + Chain cx = modelX.get(j); + assertEquals(c1.getAtomLength(), cx.getAtomLength()); + assertEquals(c1.getAtomSequence(), cx.getAtomSequence()); + assertEquals(c1.getAtomGroups(GroupType.AMINOACID).size(), cx.getAtomGroups(GroupType.AMINOACID).size()); + assertEquals(c1.getAtomGroups(GroupType.NUCLEOTIDE).size(), cx.getAtomGroups(GroupType.NUCLEOTIDE).size()); + assertEquals(c1.getAtomGroups(GroupType.HETATM).size(), cx.getAtomGroups(GroupType.HETATM).size()); + } + } + } +} \ No newline at end of file diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java similarity index 98% rename from biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java rename to biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java index 4ef2462ec2..b5ff9211b4 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java @@ -1,8 +1,9 @@ -package org.biojava.nbio.structure.io.cif; +package org.biojava.nbio.structure.test.io.cif; import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.cif.CifFileConverter; import org.junit.Test; import org.rcsb.cif.CifReader; import org.rcsb.cif.CifWriter; diff --git a/biojava-structure/src/test/resources/1a4w.bcif b/biojava-integrationtest/src/test/resources/1a4w.bcif similarity index 100% rename from biojava-structure/src/test/resources/1a4w.bcif rename to biojava-integrationtest/src/test/resources/1a4w.bcif diff --git a/biojava-structure/src/test/resources/1fdo.bcif b/biojava-integrationtest/src/test/resources/1fdo.bcif similarity index 100% rename from biojava-structure/src/test/resources/1fdo.bcif rename to biojava-integrationtest/src/test/resources/1fdo.bcif diff --git a/biojava-structure/src/test/resources/1j59.bcif b/biojava-integrationtest/src/test/resources/1j59.bcif similarity index 100% rename from biojava-structure/src/test/resources/1j59.bcif rename to biojava-integrationtest/src/test/resources/1j59.bcif diff --git a/biojava-structure/src/test/resources/2kc9.bcif b/biojava-integrationtest/src/test/resources/2kc9.bcif similarity index 100% rename from biojava-structure/src/test/resources/2kc9.bcif rename to biojava-integrationtest/src/test/resources/2kc9.bcif diff --git a/biojava-structure/src/test/resources/5pti.bcif b/biojava-integrationtest/src/test/resources/5pti.bcif similarity index 100% rename from biojava-structure/src/test/resources/5pti.bcif rename to biojava-integrationtest/src/test/resources/5pti.bcif diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java index ee8b7caa57..94f1421a76 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java @@ -22,8 +22,6 @@ import static org.junit.Assert.*; public class CifFileConsumerImplTest { - // TODO use test resources provided by integration-test module - /** * Test parsing dates from MMCIF file version 4. */ @@ -216,198 +214,4 @@ public void specialCases() throws IOException { column.valueKinds().forEach(vk -> assertEquals(ValueKind.NOT_PRESENT, vk)); column.getStringData().forEach(sd -> assertTrue(sd.isEmpty())); } - - private static boolean headerOnly; - private static boolean binary; - - @Test - public void testLoad() throws IOException { - headerOnly = false; - doTestLoad(); - } - - @Test - public void testLoadHeaderOnly() throws IOException { - headerOnly = true; - doTestLoad(); - } - - @Test - public void testLoadBinary() throws IOException { - headerOnly = false; - binary = true; - doTestLoad(); - } - - @Test - public void testLoadHeaderOnlyBinary() throws IOException { - headerOnly = true; - binary = true; - doTestLoad(); - } - - private void doTestLoad() throws IOException { - // test a simple protein - comparePDB2cif("5pti","A"); - - // test a protein with modified residues - comparePDB2cif("1a4w","L"); - comparePDB2cif("1a4w","H"); - comparePDB2cif("1a4w","I"); - - //non-standard encoded amino acid - comparePDB2cif("1fdo","A"); - - // test a DNA binding protein - comparePDB2cif("1j59","A"); - comparePDB2cif("1j59","E"); - - // test a NMR protein - comparePDB2cif("2kc9","A"); - } - - private void comparePDB2cif(String id, String chainId) throws IOException { - String fileName = binary ? "/" + id + ".bcif" : "/" + id + ".cif"; - System.out.println(fileName); - InputStream inStream = getClass().getResourceAsStream(fileName); - assertNotNull("Could not find file " + fileName + ". Config problem?" , inStream); - - LocalPDBDirectory reader = binary ? new BcifFileReader() : new CifFileReader(); - - FileParsingParameters params = new FileParsingParameters(); - params.setHeaderOnly(headerOnly); - reader.setFileParsingParameters(params); - - Structure cifStructure = reader.getStructure(inStream); - assertNotNull(cifStructure); - - // load the PDB file via the PDB parser - Structure pdbStructure; - InputStream pinStream = this.getClass().getResourceAsStream("/" + id + ".pdb"); - assertNotNull(inStream); - - PDBFileParser pdbParser = new PDBFileParser(); - pdbParser.setFileParsingParameters(params); - - pdbStructure = pdbParser.parsePDBFile(pinStream); - - assertNotNull(pdbStructure); - - // check NMR data - assertEquals(id + ": the isNMR flag is not the same!", - pdbStructure.isNmr(), - cifStructure.isNmr()); - - if ( pdbStructure.isNmr()){ - assertEquals(id + ": the nr of NMR models is not the same!", - pdbStructure.nrModels(), - pdbStructure.nrModels()); - checkNMR(pdbStructure); - checkNMR(cifStructure); - } - - Chain a_pdb = pdbStructure.getPolyChainByPDB(chainId); - Chain a_cif = cifStructure.getPolyChainByPDB(chainId); - - String pdb_SEQseq = a_pdb.getSeqResSequence(); - String cif_SEQseq = a_cif.getSeqResSequence(); - - assertEquals(id + ": the SEQRES sequences don't match!", - pdb_SEQseq, - cif_SEQseq); - - assertEquals(id + ": The nr of ATOM groups does not match!", - a_pdb.getAtomGroups(GroupType.AMINOACID).size(), - a_cif.getAtomGroups(GroupType.AMINOACID).size()); - - // actually this check not necessarily works, since there can be waters in PDB that we don;t deal with yet in cif... - for (int i = 0 ; i < a_pdb.getAtomGroups(GroupType.AMINOACID).size(); i++){ - Group gp = a_pdb.getAtomGroups(GroupType.AMINOACID).get(i); - List cifGroups = a_cif.getAtomGroups(GroupType.AMINOACID); - Group gc = cifGroups.get(i); - checkGroups(gp, gc); - } - - String pdb_seq = a_pdb.getAtomSequence(); - String cif_seq = a_cif.getAtomSequence(); - - assertEquals("the sequences obtained from PDB and mmCif don't match!", pdb_seq, cif_seq); - - List pdb_dbrefs= pdbStructure.getDBRefs(); - List cif_dbrefs= cifStructure.getDBRefs(); - - assertEquals("nr of DBrefs found does not match!", pdb_dbrefs.size(), cif_dbrefs.size()); - - DBRef p = pdb_dbrefs.get(0); - DBRef c = cif_dbrefs.get(0); - - String pdb_dbref = p.toPDB(); - String cif_dbref = c.toPDB(); - assertEquals("DBRef is not equal", pdb_dbref, cif_dbref); - - PDBHeader h1 = pdbStructure.getPDBHeader(); - PDBHeader h2 = cifStructure.getPDBHeader(); - - if (!h1.toPDB().toUpperCase().equals(h2.toPDB().toUpperCase())) { - System.err.println(h1.toPDB()); - System.err.println(h2.toPDB()); - assertEquals(h1.toPDB(), h2.toPDB()); - } - assertEquals("the PDBHeader.toPDB representation is not equivalent", - h1.toPDB().toUpperCase(), - h2.toPDB().toUpperCase()); - } - - private void checkGroups(Group g1, Group g2){ - String pdbId1 = g1.getChain().getStructure().getPDBCode(); - String pdbId2 = g1.getChain().getStructure().getPDBCode(); - assertEquals(pdbId1, pdbId2); - - assertEquals(g1.getType(), g2.getType()); - assertEquals(g1.getResidueNumber().getSeqNum(), g2.getResidueNumber().getSeqNum()); - assertEquals(g1.getResidueNumber().getInsCode(), g2.getResidueNumber().getInsCode()); - assertEquals(g1.getPDBName(), g2.getPDBName()); - assertEquals(g1.has3D(), g2.has3D()); - - assertEquals(g1.hasAltLoc(), g2.hasAltLoc()); - assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":"+ g2, g1.getAltLocs().size(), g2.getAltLocs().size()); - assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":"+ g2, g1.getAtoms().size(), g2.getAtoms().size()); - - if (g1.has3D()){ - Atom a1 = g1.getAtom(0); - Atom a2 = g2.getAtom(0); - if ( a1 == null) - fail("could not get atom for group " + g1); - if (a2 == null) - fail("could not get atom for group " + g2); - assertEquals(a1.getX(),a2.getX(), 0.0001); - assertEquals(a1.getOccupancy(), a2.getOccupancy(), 0.0001); - assertEquals(a1.getTempFactor(), a2.getTempFactor(), 0.0001); - assertEquals(a1.getName(), a2.getName()); - } - } - - private void checkNMR(Structure s){ - assertTrue(s.isNmr()); - int models = s.nrModels(); - assertTrue(models > 0); - List model0 = s.getModel(0); - - // compare with all others - for (int i = 1 ; i < models; i++){ - List modelX = s.getModel(i); - assertEquals(model0.size(),modelX.size()); - - // compare lengths: - for (int j=0 ; j< model0.size(); j++){ - Chain c1 = model0.get(j); - Chain cx = modelX.get(j); - assertEquals(c1.getAtomLength(), cx.getAtomLength()); - assertEquals(c1.getAtomSequence(), cx.getAtomSequence()); - assertEquals(c1.getAtomGroups(GroupType.AMINOACID).size(), cx.getAtomGroups(GroupType.AMINOACID).size()); - assertEquals(c1.getAtomGroups(GroupType.NUCLEOTIDE).size(), cx.getAtomGroups(GroupType.NUCLEOTIDE).size()); - assertEquals(c1.getAtomGroups(GroupType.HETATM).size(), cx.getAtomGroups(GroupType.HETATM).size()); - } - } - } } \ No newline at end of file diff --git a/biojava-structure/src/test/resources/1a4w.cif b/biojava-structure/src/test/resources/1a4w.cif deleted file mode 100644 index d7fb70a2cb..0000000000 --- a/biojava-structure/src/test/resources/1a4w.cif +++ /dev/null @@ -1,4429 +0,0 @@ -data_1A4W -# -_entry.id 1A4W -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 1.0670 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -_database_2.database_id PDB -_database_2.database_code 1A4W -# -loop_ -_database_PDB_rev.num -_database_PDB_rev.date -_database_PDB_rev.date_original -_database_PDB_rev.status -_database_PDB_rev.replaces -_database_PDB_rev.mod_type -1 1998-04-29 1998-02-06 ? 1A4W 0 -2 2009-02-24 ? ? 1A4W 1 -# -_database_PDB_rev_record.rev_num 2 -_database_PDB_rev_record.type VERSN -_database_PDB_rev_record.details ? -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 1A4W -_pdbx_database_status.deposit_site ? -_pdbx_database_status.process_site ? -_pdbx_database_status.SG_entry . -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Matthews, J.H.' 1 -'Krishnan, R.' 2 -'Costanzo, M.J.' 3 -'Maryanoff, B.E.' 4 -'Tulinsky, A.' 5 -# -loop_ -_citation.id -_citation.title -_citation.journal_abbrev -_citation.journal_volume -_citation.page_first -_citation.page_last -_citation.year -_citation.journal_id_ASTM -_citation.country -_citation.journal_id_ISSN -_citation.journal_id_CSD -_citation.book_publisher -_citation.pdbx_database_id_PubMed -_citation.pdbx_database_id_DOI -primary -;Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site. -; -Biophys.J. 71 2830 2839 1996 BIOJAU US 0006-3495 0030 ? 8913620 ? -1 -;The Isomorphous Structures of Prethrombin2, Hirugen-, and Ppack-Thrombin: Changes Accompanying Activation and Exosite Binding to Thrombin -; -'Protein Sci.' 3 2254 ? 1994 PRCIEI US 0961-8368 0795 ? ? ? -2 'Active Site and Exosite Binding of Alpha-Thrombin' -'Blood Coagulation Fibrinolysis' 4 305 ? 1993 BLFIE7 UK 0957-5235 0796 ? ? ? -3 -;Structure of the Hirulog 3-Thrombin Complex and Nature of the S' Subsites of Substrates and Inhibitors -; -Biochemistry 31 11689 ? 1992 BICHAW US 0006-2960 0033 ? ? ? -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -primary 'Matthews, J.H.' 1 -primary 'Krishnan, R.' 2 -primary 'Costanzo, M.J.' 3 -primary 'Maryanoff, B.E.' 4 -primary 'Tulinsky, A.' 5 -1 'Vijayalakshmi, J.' 6 -1 'Padmanabhan, K.P.' 7 -1 'Mann, K.G.' 8 -1 'Tulinsky, A.' 9 -2 'Tulinsky, A.' 10 -2 'Qiu, X.' 11 -3 'Qiu, X.' 12 -3 'Padmanabhan, K.P.' 13 -3 'Carperos, V.E.' 14 -3 'Tulinsky, A.' 15 -3 'Kline, T.' 16 -3 'Maraganore, J.M.' 17 -3 'Fenton II, J.W.' 18 -# -_cell.entry_id 1A4W -_cell.length_a 71.470 -_cell.length_b 72.000 -_cell.length_c 73.390 -_cell.angle_alpha 90.00 -_cell.angle_beta 101.13 -_cell.angle_gamma 90.00 -_cell.Z_PDB 4 -_cell.pdbx_unique_axis ? -_cell.length_a_esd ? -_cell.length_b_esd ? -_cell.length_c_esd ? -_cell.angle_alpha_esd ? -_cell.angle_beta_esd ? -_cell.angle_gamma_esd ? -# -_symmetry.entry_id 1A4W -_symmetry.space_group_name_H-M 'C 1 2 1' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number ? -_symmetry.space_group_name_Hall ? -# -loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer nat 'ALPHA-THROMBIN (SMALL SUBUNIT)' 4096.567 1 ? ? ? 3.4.21.5 -2 polymer nat 'ALPHA-THROMBIN (LARGE SUBUNIT)' 29780.426 1 ? ? ? 3.4.21.5 -3 polymer man HIRUGEN 1534.564 1 ? ? ? ? -4 non-polymer syn 'SODIUM ION' 22.990 2 ? ? ? ? -5 non-polymer syn '5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)' 251.300 1 ? ? ? ? -6 non-polymer syn 2-KETOTHIAZOLE 113.134 1 ? ? ? ? -7 water nat water 18.015 157 ? ? ? ? -# -loop_ -_entity_keywords.entity_id -_entity_keywords.text -1 ? -2 ? -3 ? -4 ? -5 ? -6 ? -7 ? -# -loop_ -_entity_poly.entity_id -_entity_poly.type -_entity_poly.nstd_linkage -_entity_poly.nstd_monomer -_entity_poly.pdbx_seq_one_letter_code -_entity_poly.pdbx_seq_one_letter_code_can -_entity_poly.pdbx_strand_id -1 'polypeptide(L)' no no TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR -TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR -L -2 'polypeptide(L)' no no -;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM -LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL -QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY -THVFRLKKWIQKVIDQFGE -; -;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM -LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL -QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY -THVFRLKKWIQKVIDQFGE -; -H -3 'polypeptide(L)' no yes 'NGDFEEIPEE(TYS)L' -NGDFEEIPEEYL -I -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 THR n -1 2 PHE n -1 3 GLY n -1 4 SER n -1 5 GLY n -1 6 GLU n -1 7 ALA n -1 8 ASP n -1 9 CYS n -1 10 GLY n -1 11 LEU n -1 12 ARG n -1 13 PRO n -1 14 LEU n -1 15 PHE n -1 16 GLU n -1 17 LYS n -1 18 LYS n -1 19 SER n -1 20 LEU n -1 21 GLU n -1 22 ASP n -1 23 LYS n -1 24 THR n -1 25 GLU n -1 26 ARG n -1 27 GLU n -1 28 LEU n -1 29 LEU n -1 30 GLU n -1 31 SER n -1 32 TYR n -1 33 ILE n -1 34 ASP n -1 35 GLY n -1 36 ARG n -2 1 ILE n -2 2 VAL n -2 3 GLU n -2 4 GLY n -2 5 SER n -2 6 ASP n -2 7 ALA n -2 8 GLU n -2 9 ILE n -2 10 GLY n -2 11 MET n -2 12 SER n -2 13 PRO n -2 14 TRP n -2 15 GLN n -2 16 VAL n -2 17 MET n -2 18 LEU n -2 19 PHE n -2 20 ARG n -2 21 LYS n -2 22 SER n -2 23 PRO n -2 24 GLN n -2 25 GLU n -2 26 LEU n -2 27 LEU n -2 28 CYS n -2 29 GLY n -2 30 ALA n -2 31 SER n -2 32 LEU n -2 33 ILE n -2 34 SER n -2 35 ASP n -2 36 ARG n -2 37 TRP n -2 38 VAL n -2 39 LEU n -2 40 THR n -2 41 ALA n -2 42 ALA n -2 43 HIS n -2 44 CYS n -2 45 LEU n -2 46 LEU n -2 47 TYR n -2 48 PRO n -2 49 PRO n -2 50 TRP n -2 51 ASP n -2 52 LYS n -2 53 ASN n -2 54 PHE n -2 55 THR n -2 56 GLU n -2 57 ASN n -2 58 ASP n -2 59 LEU n -2 60 LEU n -2 61 VAL n -2 62 ARG n -2 63 ILE n -2 64 GLY n -2 65 LYS n -2 66 HIS n -2 67 SER n -2 68 ARG n -2 69 THR n -2 70 ARG n -2 71 TYR n -2 72 GLU n -2 73 ARG n -2 74 ASN n -2 75 ILE n -2 76 GLU n -2 77 LYS n -2 78 ILE n -2 79 SER n -2 80 MET n -2 81 LEU n -2 82 GLU n -2 83 LYS n -2 84 ILE n -2 85 TYR n -2 86 ILE n -2 87 HIS n -2 88 PRO n -2 89 ARG n -2 90 TYR n -2 91 ASN n -2 92 TRP n -2 93 ARG n -2 94 GLU n -2 95 ASN n -2 96 LEU n -2 97 ASP n -2 98 ARG n -2 99 ASP n -2 100 ILE n -2 101 ALA n -2 102 LEU n -2 103 MET n -2 104 LYS n -2 105 LEU n -2 106 LYS n -2 107 LYS n -2 108 PRO n -2 109 VAL n -2 110 ALA n -2 111 PHE n -2 112 SER n -2 113 ASP n -2 114 TYR n -2 115 ILE n -2 116 HIS n -2 117 PRO n -2 118 VAL n -2 119 CYS n -2 120 LEU n -2 121 PRO n -2 122 ASP n -2 123 ARG n -2 124 GLU n -2 125 THR n -2 126 ALA n -2 127 ALA n -2 128 SER n -2 129 LEU n -2 130 LEU n -2 131 GLN n -2 132 ALA n -2 133 GLY n -2 134 TYR n -2 135 LYS n -2 136 GLY n -2 137 ARG n -2 138 VAL n -2 139 THR n -2 140 GLY n -2 141 TRP n -2 142 GLY n -2 143 ASN n -2 144 LEU n -2 145 LYS n -2 146 GLU n -2 147 THR n -2 148 TRP n -2 149 THR n -2 150 ALA n -2 151 ASN n -2 152 VAL n -2 153 GLY n -2 154 LYS n -2 155 GLY n -2 156 GLN n -2 157 PRO n -2 158 SER n -2 159 VAL n -2 160 LEU n -2 161 GLN n -2 162 VAL n -2 163 VAL n -2 164 ASN n -2 165 LEU n -2 166 PRO n -2 167 ILE n -2 168 VAL n -2 169 GLU n -2 170 ARG n -2 171 PRO n -2 172 VAL n -2 173 CYS n -2 174 LYS n -2 175 ASP n -2 176 SER n -2 177 THR n -2 178 ARG n -2 179 ILE n -2 180 ARG n -2 181 ILE n -2 182 THR n -2 183 ASP n -2 184 ASN n -2 185 MET n -2 186 PHE n -2 187 CYS n -2 188 ALA n -2 189 GLY n -2 190 TYR n -2 191 LYS n -2 192 PRO n -2 193 ASP n -2 194 GLU n -2 195 GLY n -2 196 LYS n -2 197 ARG n -2 198 GLY n -2 199 ASP n -2 200 ALA n -2 201 CYS n -2 202 GLU n -2 203 GLY n -2 204 ASP n -2 205 SER n -2 206 GLY n -2 207 GLY n -2 208 PRO n -2 209 PHE n -2 210 VAL n -2 211 MET n -2 212 LYS n -2 213 SER n -2 214 PRO n -2 215 PHE n -2 216 ASN n -2 217 ASN n -2 218 ARG n -2 219 TRP n -2 220 TYR n -2 221 GLN n -2 222 MET n -2 223 GLY n -2 224 ILE n -2 225 VAL n -2 226 SER n -2 227 TRP n -2 228 GLY n -2 229 GLU n -2 230 GLY n -2 231 CYS n -2 232 ASP n -2 233 ARG n -2 234 ASP n -2 235 GLY n -2 236 LYS n -2 237 TYR n -2 238 GLY n -2 239 PHE n -2 240 TYR n -2 241 THR n -2 242 HIS n -2 243 VAL n -2 244 PHE n -2 245 ARG n -2 246 LEU n -2 247 LYS n -2 248 LYS n -2 249 TRP n -2 250 ILE n -2 251 GLN n -2 252 LYS n -2 253 VAL n -2 254 ILE n -2 255 ASP n -2 256 GLN n -2 257 PHE n -2 258 GLY n -2 259 GLU n -3 1 ASN n -3 2 GLY n -3 3 ASP n -3 4 PHE n -3 5 GLU n -3 6 GLU n -3 7 ILE n -3 8 PRO n -3 9 GLU n -3 10 GLU n -3 11 TYS n -3 12 LEU n -# -loop_ -_entity_src_nat.entity_id -_entity_src_nat.common_name -_entity_src_nat.pdbx_organism_scientific -_entity_src_nat.pdbx_ncbi_taxonomy_id -_entity_src_nat.genus -_entity_src_nat.species -_entity_src_nat.strain -_entity_src_nat.tissue -_entity_src_nat.tissue_fraction -_entity_src_nat.pdbx_secretion -_entity_src_nat.pdbx_fragment -_entity_src_nat.pdbx_variant -_entity_src_nat.pdbx_cell_line -_entity_src_nat.pdbx_atcc -_entity_src_nat.pdbx_cellular_location -_entity_src_nat.pdbx_organ -_entity_src_nat.pdbx_organelle -_entity_src_nat.pdbx_cell -_entity_src_nat.pdbx_plasmid_name -_entity_src_nat.pdbx_plasmid_details -_entity_src_nat.details -1 human 'Homo sapiens' 9606 Homo . . BLOOD . ? ? ? ? ? ? BLOOD ? ? ? ? ? -2 human 'Homo sapiens' 9606 Homo . . BLOOD . ? ? ? ? ? ? BLOOD ? ? ? ? ? -# -loop_ -_struct_ref.id -_struct_ref.db_name -_struct_ref.db_code -_struct_ref.entity_id -_struct_ref.pdbx_db_accession -_struct_ref.pdbx_align_begin -_struct_ref.pdbx_seq_one_letter_code -_struct_ref.biol_id -1 UNP THRB_HUMAN 1 P00734 1 -;MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC -VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV -NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE -CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA -QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG -DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI -DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN -DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP -VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST -RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY -GFYTHVFRLKKWIQKVIDQFGE - -; -. -2 UNP ITH3_HIRME 3 P09945 1 -;AICVSQAITYTDCTESGQNLCLCEGSNVCGKGNKCILGSNGKGNQCVTGEGTPNPESHNN -GDFEEIPEEYLQ - -; -. -3 UNP THRB_HUMAN 2 P00734 1 -;MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC -VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV -NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE -CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA -QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG -DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI -DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN -DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP -VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST -RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY -GFYTHVFRLKKWIQKVIDQFGE - -; -. -# -loop_ -_struct_ref_seq.align_id -_struct_ref_seq.ref_id -_struct_ref_seq.pdbx_PDB_id_code -_struct_ref_seq.pdbx_strand_id -_struct_ref_seq.seq_align_beg -_struct_ref_seq.pdbx_seq_align_beg_ins_code -_struct_ref_seq.seq_align_end -_struct_ref_seq.pdbx_seq_align_end_ins_code -_struct_ref_seq.pdbx_db_accession -_struct_ref_seq.db_align_beg -_struct_ref_seq.pdbx_db_align_beg_ins_code -_struct_ref_seq.db_align_end -_struct_ref_seq.pdbx_db_align_end_ins_code -_struct_ref_seq.pdbx_auth_seq_align_beg -_struct_ref_seq.pdbx_auth_seq_align_end -1 1 1A4W L 1 H 36 N P00734 328 ? 363 ? 1 14 -2 3 1A4W H 1 ? 259 ? P00734 364 ? 622 ? 16 247 -3 2 1A4W I 1 ? 12 ? P09945 60 ? 71 ? 353 364 -# -_struct_ref_seq_dif.align_id 3 -_struct_ref_seq_dif.pdbx_pdb_id_code 1A4W -_struct_ref_seq_dif.mon_id TYS -_struct_ref_seq_dif.pdbx_pdb_strand_id I -_struct_ref_seq_dif.seq_num 11 -_struct_ref_seq_dif.pdbx_pdb_ins_code ? -_struct_ref_seq_dif.pdbx_seq_db_name UNP -_struct_ref_seq_dif.pdbx_seq_db_accession_code P09945 -_struct_ref_seq_dif.db_mon_id TYR -_struct_ref_seq_dif.pdbx_seq_db_seq_num 70 -_struct_ref_seq_dif.details CONFLICT -_struct_ref_seq_dif.pdbx_auth_seq_num 363 -_struct_ref_seq_dif.pdbx_ordinal 1 -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.104 -CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.154 -GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 -LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.174 -ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.210 -PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.132 -PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.191 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.130 -LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.197 -SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 -THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.120 -TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 -ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.174 -VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.147 -ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.094 -MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.207 -TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.228 -GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 -HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.164 -ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 -TYS 'L-peptide linking' n O-SULFO-L-TYROSINE ? 'C9 H11 N O6 S' 261.249 -NA non-polymer . 'SODIUM ION' ? 'NA 1' 22.990 -ANS non-polymer . '5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)' 'DANSYL ACID' 'C12 H13 N O3 S' 251.300 -DAR 'D-peptide linking' . D-ARGININE ? 'C6 H15 N4 O2 1' 175.210 -2EP non-polymer . 2-ETHYLPIPERIDINE ? 'C7 H15 N' 113.202 -KTH non-polymer . 2-KETOTHIAZOLE ? 'C4 H3 N O S' 113.134 -HOH non-polymer . WATER ? 'H2 O' 18.015 -# -_exptl.entry_id 1A4W -_exptl.method 'X-RAY DIFFRACTION' -_exptl.crystals_number 1 -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_Matthews 2.4 -_exptl_crystal.density_percent_sol 51. -_exptl_crystal.description ? -_exptl_crystal.F_000 ? -_exptl_crystal.preparation ? -# -_exptl_crystal_grow.crystal_id 1 -_exptl_crystal_grow.method 'vapor diffusion - hanging drop and macroseeding' -_exptl_crystal_grow.temp ? -_exptl_crystal_grow.temp_details ? -_exptl_crystal_grow.pH 7.3 -_exptl_crystal_grow.pdbx_pH_range ? -_exptl_crystal_grow.pdbx_details -;0.1 M SODIUM PHOSPHATE BUFFER AT PH 7.3, 27-28% PEG 8000; HANGING DROPS WITH MACROSEEDING, vapor diffusion - hanging drop and macroseeding -; -# -_diffrn.id 1 -_diffrn.ambient_temp 298 -_diffrn.ambient_temp_details ? -_diffrn.crystal_id 1 -# -_diffrn_detector.diffrn_id 1 -_diffrn_detector.detector 'IMAGE PLATE' -_diffrn_detector.type 'RIGAKU RAXIS II' -_diffrn_detector.pdbx_collection_date 1994-03-15 -_diffrn_detector.details COLLIMATOR -# -_diffrn_radiation.diffrn_id 1 -_diffrn_radiation.wavelength_id 1 -_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M -_diffrn_radiation.monochromator 'GRAPHITE(002)' -_diffrn_radiation.pdbx_diffrn_protocol ? -# -_diffrn_radiation_wavelength.id 1 -_diffrn_radiation_wavelength.wavelength 1.5418 -_diffrn_radiation_wavelength.wt 1.0 -# -_diffrn_source.diffrn_id 1 -_diffrn_source.source 'ROTATING ANODE' -_diffrn_source.type 'RIGAKU RUH2R' -_diffrn_source.pdbx_synchrotron_site ? -_diffrn_source.pdbx_synchrotron_beamline ? -_diffrn_source.pdbx_wavelength 1.5418 -_diffrn_source.pdbx_wavelength_list ? -# -_reflns.entry_id 1A4W -_reflns.observed_criterion_sigma_I 1. -_reflns.observed_criterion_sigma_F ? -_reflns.d_resolution_low 44.2 -_reflns.d_resolution_high 1.80 -_reflns.number_obs 23968 -_reflns.number_all ? -_reflns.percent_possible_obs 69.5 -_reflns.pdbx_Rmerge_I_obs 0.052 -_reflns.pdbx_Rsym_value ? -_reflns.pdbx_netI_over_sigmaI 12. -_reflns.B_iso_Wilson_estimate ? -_reflns.pdbx_redundancy 2.2 -_reflns.R_free_details ? -_reflns.limit_h_max ? -_reflns.limit_h_min ? -_reflns.limit_k_max ? -_reflns.limit_k_min ? -_reflns.limit_l_max ? -_reflns.limit_l_min ? -_reflns.observed_criterion_F_max ? -_reflns.observed_criterion_F_min ? -_reflns.pdbx_chi_squared ? -_reflns.pdbx_scaling_rejects ? -# -_reflns_shell.d_res_high 1.8 -_reflns_shell.d_res_low 2.0 -_reflns_shell.percent_possible_all 48. -_reflns_shell.Rmerge_I_obs 0.165 -_reflns_shell.pdbx_Rsym_value ? -_reflns_shell.meanI_over_sigI_obs 2.61 -_reflns_shell.pdbx_redundancy ? -_reflns_shell.percent_possible_obs ? -_reflns_shell.number_unique_all ? -_reflns_shell.number_measured_all ? -_reflns_shell.number_measured_obs ? -_reflns_shell.number_unique_obs ? -_reflns_shell.pdbx_chi_squared ? -# -_computing.entry_id 1A4W -_computing.pdbx_data_reduction_ii R-AXIS -_computing.pdbx_data_reduction_ds R-AXIS -_computing.data_collection ? -_computing.structure_solution ? -_computing.structure_refinement PROFFT -_computing.pdbx_structure_refinement_method ? -# -_refine.entry_id 1A4W -_refine.ls_number_reflns_obs 19906 -_refine.ls_number_reflns_all ? -_refine.pdbx_ls_sigma_I ? -_refine.pdbx_ls_sigma_F 4. -_refine.pdbx_data_cutoff_high_absF ? -_refine.pdbx_data_cutoff_low_absF ? -_refine.pdbx_data_cutoff_high_rms_absF ? -_refine.ls_d_res_low 7.0 -_refine.ls_d_res_high 1.8 -_refine.ls_percent_reflns_obs 65. -_refine.ls_R_factor_obs ? -_refine.ls_R_factor_all ? -_refine.ls_R_factor_R_work 0.155 -_refine.ls_R_factor_R_free ? -_refine.ls_R_factor_R_free_error ? -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free ? -_refine.ls_number_reflns_R_free ? -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.B_iso_mean 26. -_refine.aniso_B[1][1] ? -_refine.aniso_B[2][2] ? -_refine.aniso_B[3][3] ? -_refine.aniso_B[1][2] ? -_refine.aniso_B[1][3] ? -_refine.aniso_B[2][3] ? -_refine.solvent_model_details ? -_refine.solvent_model_param_ksol ? -_refine.solvent_model_param_bsol ? -_refine.pdbx_ls_cross_valid_method ? -_refine.details ? -_refine.pdbx_starting_model 'PDB ENTRY 1FPC' -_refine.pdbx_method_to_determine_struct 'PREVIOUS STRUCTURE' -_refine.pdbx_isotropic_thermal_model ? -_refine.pdbx_stereochemistry_target_values ? -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details ? -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_ML ? -_refine.overall_SU_B ? -_refine.ls_redundancy_reflns_obs ? -_refine.pdbx_overall_phase_error ? -_refine.B_iso_min ? -_refine.B_iso_max ? -_refine.correlation_coeff_Fo_to_Fc ? -_refine.correlation_coeff_Fo_to_Fc_free ? -_refine.pdbx_solvent_vdw_probe_radii ? -_refine.pdbx_solvent_ion_probe_radii ? -_refine.pdbx_solvent_shrinkage_radii ? -_refine.overall_SU_R_Cruickshank_DPI ? -_refine.overall_SU_R_free ? -_refine.ls_wR_factor_R_free ? -_refine.ls_wR_factor_R_work ? -_refine.overall_FOM_free_R_set ? -_refine.overall_FOM_work_R_set ? -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -# -_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_hist.cycle_id LAST -_refine_hist.pdbx_number_atoms_protein 2080 -_refine_hist.pdbx_number_atoms_nucleic_acid 0 -_refine_hist.pdbx_number_atoms_ligand 198 -_refine_hist.number_atoms_solvent 157 -_refine_hist.number_atoms_total 2435 -_refine_hist.d_res_high 1.8 -_refine_hist.d_res_low 7.0 -# -loop_ -_refine_ls_restr.type -_refine_ls_restr.dev_ideal -_refine_ls_restr.dev_ideal_target -_refine_ls_restr.weight -_refine_ls_restr.number -_refine_ls_restr.pdbx_refine_id -p_bond_d 0.016 0.015 ? ? 'X-RAY DIFFRACTION' -p_angle_d 0.042 0.030 ? ? 'X-RAY DIFFRACTION' -p_angle_deg ? ? ? ? 'X-RAY DIFFRACTION' -p_planar_d 0.051 0.045 ? ? 'X-RAY DIFFRACTION' -p_hb_or_metal_coord ? ? ? ? 'X-RAY DIFFRACTION' -p_mcbond_it 1.1 1.0 ? ? 'X-RAY DIFFRACTION' -p_mcangle_it 1.8 1.5 ? ? 'X-RAY DIFFRACTION' -p_scbond_it 2.8 2.0 ? ? 'X-RAY DIFFRACTION' -p_scangle_it 4.1 2.5 ? ? 'X-RAY DIFFRACTION' -p_plane_restr 0.032 0.030 ? ? 'X-RAY DIFFRACTION' -p_chiral_restr 0.21 0.15 ? ? 'X-RAY DIFFRACTION' -p_singtor_nbd 0.19 0.60 ? ? 'X-RAY DIFFRACTION' -p_multtor_nbd 0.21 0.60 ? ? 'X-RAY DIFFRACTION' -p_xhyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' -p_xyhbond_nbd 0.25 0.60 ? ? 'X-RAY DIFFRACTION' -p_planar_tor 4. 3. ? ? 'X-RAY DIFFRACTION' -p_staggered_tor 20. 15. ? ? 'X-RAY DIFFRACTION' -p_orthonormal_tor ? ? ? ? 'X-RAY DIFFRACTION' -p_transverse_tor 30. 20. ? ? 'X-RAY DIFFRACTION' -p_special_tor ? ? ? ? 'X-RAY DIFFRACTION' -# -_struct.entry_id 1A4W -_struct.title -;CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE -; -_struct.pdbx_descriptor -'ALPHA-THROMBIN, HIRUGEN, 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), ARGININE, 2-ETHYLPIPERIDINE, 2-KETOTHIAZOLE' -_struct.pdbx_model_details ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 1A4W -_struct_keywords.pdbx_keywords 'COMPLEX (SERINE PROTEASE/INHIBITORS)' -_struct_keywords.text 'COMPLEX (SERINE PROTEASE/INHIBITORS), BLOOD COAGULATION' -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 2 ? -C N N 3 ? -D N N 4 ? -E N N 4 ? -F N N 5 ? -G N N 6 ? -H N N 7 ? -I N N 7 ? -J N N 7 ? -# -_struct_biol.id 1 -_struct_biol.details ? -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 H1 ALA B 41 ? LEU B 46 ? ALA H 55 LEU H 60 1 ? 6 -HELX_P HELX_P2 H2 GLU B 169 ? SER B 176 ? GLU H 164 SER H 171 1 ? 8 -HELX_P HELX_P3 H3 ASP B 122 ? LEU B 129 C ASP H 125 LEU H 129 1 ? 8 -HELX_P HELX_P4 H4 VAL B 243 ? GLN B 256 ? VAL H 231 GLN H 244 1 ? 14 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -loop_ -_struct_conn.id -_struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id -_struct_conn.ptnr1_label_asym_id -_struct_conn.ptnr1_label_comp_id -_struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id -_struct_conn.ptnr1_symmetry -_struct_conn.ptnr2_label_asym_id -_struct_conn.ptnr2_label_comp_id -_struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id -_struct_conn.ptnr2_auth_asym_id -_struct_conn.ptnr2_auth_comp_id -_struct_conn.ptnr2_auth_seq_id -_struct_conn.ptnr2_symmetry -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_comp_id -_struct_conn.pdbx_ptnr3_label_asym_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details -_struct_conn.pdbx_dist_value -disulf1 disulf ? A CYS 9 SG ? ? ? 1_555 B CYS 119 SG ? ? L CYS 1 H CYS 122 1_555 ? ? ? ? ? ? ? 1.969 -disulf2 disulf ? B CYS 28 SG ? ? ? 1_555 B CYS 44 SG ? ? H CYS 42 H CYS 58 1_555 ? ? ? ? ? ? ? 2.058 -disulf3 disulf ? B CYS 173 SG ? ? ? 1_555 B CYS 187 SG ? ? H CYS 168 H CYS 182 1_555 ? ? ? ? ? ? ? 2.058 -disulf4 disulf ? B CYS 201 SG ? ? ? 1_555 B CYS 231 SG ? ? H CYS 191 H CYS 220 1_555 ? ? ? ? ? ? ? 2.086 -covale1 covale ? C TYS 11 N ? ? ? 1_555 C GLU 10 C ? ? I TYS 363 I GLU 362 1_555 ? ? ? ? ? ? ? 1.329 -covale2 covale ? F ANS . S ? ? ? 1_555 F DAR . N ? ? H ANS 373 H DAR 350 1_555 ? ? ? ? ? ? ? 1.906 -covale3 covale ? F 2EP . N1 ? ? ? 1_555 F DAR . C ? ? H 2EP 375 H DAR 350 1_555 ? ? ? ? ? ? ? 1.422 -covale4 covale ? F 2EP . "C2'" ? ? ? 1_555 G KTH . "C2'" ? ? H 2EP 375 H KTH 377 1_555 ? ? ? ? ? ? ? 1.484 -metalc1 metalc ? D NA . NA ? ? ? 1_555 B LYS 236 O ? ? H NA 541 H LYS 224 1_555 ? ? ? ? ? ? ? 2.324 -metalc2 metalc ? E NA . NA ? ? ? 1_555 B LYS 174 O ? ? H NA 542 H LYS 169 1_555 ? ? ? ? ? ? ? 2.363 -metalc3 metalc ? E NA . NA ? ? ? 1_555 B THR 177 O ? ? H NA 542 H THR 172 1_555 ? ? ? ? ? ? ? 2.325 -metalc4 metalc ? D NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 541 H HOH 497 1_555 ? ? ? ? ? ? ? 2.205 -metalc5 metalc ? D NA . NA ? ? ? 1_555 B ARG 233 O ? A H NA 541 H ARG 221 1_555 ? ? ? ? ? ? ? 2.438 -metalc6 metalc ? D NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 541 H HOH 464 1_555 ? ? ? ? ? ? ? 2.369 -metalc7 metalc ? D NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 541 H HOH 460 1_555 ? ? ? ? ? ? ? 2.408 -metalc8 metalc ? E NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 542 H HOH 518 1_555 ? ? ? ? ? ? ? 2.535 -metalc9 metalc ? E NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 542 H HOH 467 1_555 ? ? ? ? ? ? ? 2.385 -metalc10 metalc ? E NA . NA ? ? ? 1_555 B PHE 215 O ? A H NA 542 H PHE 204 4_546 ? ? ? ? ? ? ? 2.427 -metalc11 metalc ? D NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 541 H HOH 403 1_555 ? ? ? ? ? ? ? 2.914 -metalc12 metalc ? E NA . NA ? ? ? 1_555 H HOH . O ? ? H NA 542 H HOH 515 1_555 ? ? ? ? ? ? ? 2.836 -# -loop_ -_struct_conn_type.id -_struct_conn_type.criteria -_struct_conn_type.reference -disulf ? ? -covale ? ? -metalc ? ? -# -_struct_mon_prot_cis.pdbx_id 1 -_struct_mon_prot_cis.label_comp_id SER -_struct_mon_prot_cis.label_seq_id 22 -_struct_mon_prot_cis.label_asym_id B -_struct_mon_prot_cis.label_alt_id . -_struct_mon_prot_cis.pdbx_PDB_ins_code A -_struct_mon_prot_cis.auth_comp_id SER -_struct_mon_prot_cis.auth_seq_id 36 -_struct_mon_prot_cis.auth_asym_id H -_struct_mon_prot_cis.pdbx_label_comp_id_2 PRO -_struct_mon_prot_cis.pdbx_label_seq_id_2 23 -_struct_mon_prot_cis.pdbx_label_asym_id_2 B -_struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? -_struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO -_struct_mon_prot_cis.pdbx_auth_seq_id_2 37 -_struct_mon_prot_cis.pdbx_auth_asym_id_2 H -_struct_mon_prot_cis.pdbx_PDB_model_num 1 -_struct_mon_prot_cis.pdbx_omega_angle -2.26 -# -loop_ -_struct_sheet.id -_struct_sheet.type -_struct_sheet.number_strands -_struct_sheet.details -B1 ? 7 ? -B2 ? 7 ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -B1 1 2 ? anti-parallel -B1 2 3 ? anti-parallel -B1 3 4 ? anti-parallel -B1 4 5 ? anti-parallel -B1 5 6 ? anti-parallel -B1 6 7 ? anti-parallel -B2 1 2 ? anti-parallel -B2 2 3 ? anti-parallel -B2 3 4 ? anti-parallel -B2 4 5 ? anti-parallel -B2 5 6 ? anti-parallel -B2 6 7 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -B1 1 PRO B 13 . ARG B 20 . ? PRO H 28 ARG H 35 -B1 2 CYS B 28 . ASP B 35 . ? CYS H 42 ASP H 49 -B1 3 ARG B 36 . ALA B 42 . ? ARG H 50 ALA H 56 -B1 4 ARG B 98 . LYS B 107 . ? ARG H 101 LYS H 110 -B1 5 LYS B 77 . PRO B 88 . ? LYS H 81 PRO H 92 -B1 6 ASP B 58 . GLY B 64 . ? ASP H 63 GLY H 69 -B1 7 PRO B 13 . ARG B 20 . ? PRO H 28 ARG H 35 -B2 1 GLY B 133 . TRP B 141 . ? GLY H 133 TRP H 141 -B2 2 LEU B 160 . ILE B 167 . ? LEU H 155 ILE H 162 -B2 3 ASN B 184 . PRO B 192 . ? ASN H 179 PRO H 186 -B2 4 GLY B 235 . THR B 241 . ? GLY H 223 THR H 229 -B2 5 ILE B 224 . GLU B 229 . ? ILE H 212 GLU H 217 -B2 6 GLY B 203 . MET B 211 . ? GLY H 193 MET H 201 -B2 7 GLY B 133 . TRP B 141 . ? GLY H 133 TRP H 141 -# -loop_ -_struct_site.id -_struct_site.details -_struct_site.pdbx_evidence_code -CAT 'ACTIVE SITE' UNKNOWN -AC1 'BINDING SITE FOR RESIDUE NA H 541' SOFTWARE -AC2 'BINDING SITE FOR RESIDUE NA H 542' SOFTWARE -AC3 'BINDING SITE FOR RESIDUE ANS H 373' SOFTWARE -AC4 'BINDING SITE FOR RESIDUE DAR H 350' SOFTWARE -AC5 'BINDING SITE FOR RESIDUE 2EP H 375' SOFTWARE -AC6 'BINDING SITE FOR RESIDUE KTH H 377' SOFTWARE -# -loop_ -_struct_site_gen.id -_struct_site_gen.site_id -_struct_site_gen.pdbx_num_res -_struct_site_gen.label_comp_id -_struct_site_gen.label_asym_id -_struct_site_gen.label_seq_id -_struct_site_gen.pdbx_auth_ins_code -_struct_site_gen.auth_comp_id -_struct_site_gen.auth_asym_id -_struct_site_gen.auth_seq_id -_struct_site_gen.label_atom_id -_struct_site_gen.label_alt_id -_struct_site_gen.symmetry -_struct_site_gen.details -1 CAT 3 HIS B 43 ? HIS H 57 . . 1_555 ? -2 CAT 3 ASP B 99 ? ASP H 102 . . 1_555 ? -3 CAT 3 SER B 205 ? SER H 195 . . 1_555 ? -4 AC1 6 ARG B 233 A ARG H 221 . . 1_555 ? -5 AC1 6 LYS B 236 ? LYS H 224 . . 1_555 ? -6 AC1 6 HOH H . ? HOH H 403 . . 1_555 ? -7 AC1 6 HOH H . ? HOH H 460 . . 1_555 ? -8 AC1 6 HOH H . ? HOH H 464 . . 1_555 ? -9 AC1 6 HOH H . ? HOH H 497 . . 1_555 ? -10 AC2 6 LYS B 174 ? LYS H 169 . . 1_555 ? -11 AC2 6 THR B 177 ? THR H 172 . . 1_555 ? -12 AC2 6 PHE B 215 A PHE H 204 . . 4_546 ? -13 AC2 6 HOH H . ? HOH H 467 . . 1_555 ? -14 AC2 6 HOH H . ? HOH H 515 . . 1_555 ? -15 AC2 6 HOH H . ? HOH H 518 . . 1_555 ? -16 AC3 8 TYR B 47 A TYR H 60 . . 1_555 ? -17 AC3 8 GLU B 94 A GLU H 97 . . 1_555 ? -18 AC3 8 LEU B 96 ? LEU H 99 . . 1_555 ? -19 AC3 8 TRP B 227 ? TRP H 215 . . 1_555 ? -20 AC3 8 GLY B 228 ? GLY H 216 . . 1_555 ? -21 AC3 8 GLY B 230 ? GLY H 219 . . 1_555 ? -22 AC3 8 DAR F . ? DAR H 350 . . 1_555 ? -23 AC3 8 HOH H . ? HOH H 448 . . 1_555 ? -24 AC4 8 ASP B 199 ? ASP H 189 . . 1_555 ? -25 AC4 8 ALA B 200 ? ALA H 190 . . 1_555 ? -26 AC4 8 TRP B 227 ? TRP H 215 . . 1_555 ? -27 AC4 8 GLY B 228 ? GLY H 216 . . 1_555 ? -28 AC4 8 GLY B 230 ? GLY H 219 . . 1_555 ? -29 AC4 8 ANS F . ? ANS H 373 . . 1_555 ? -30 AC4 8 2EP F . ? 2EP H 375 . . 1_555 ? -31 AC4 8 HOH H . ? HOH H 471 . . 1_555 ? -32 AC5 4 TRP B 50 D TRP H 60 . . 1_555 ? -33 AC5 4 LEU B 96 ? LEU H 99 . . 1_555 ? -34 AC5 4 DAR F . ? DAR H 350 . . 1_555 ? -35 AC5 4 KTH G . ? KTH H 377 . . 1_555 ? -36 AC6 5 HIS B 43 ? HIS H 57 . . 1_555 ? -37 AC6 5 TRP B 50 D TRP H 60 . . 1_555 ? -38 AC6 5 LYS B 52 F LYS H 60 . . 1_555 ? -39 AC6 5 2EP F . ? 2EP H 375 . . 1_555 ? -40 AC6 5 HOH H . ? HOH H 532 . . 1_555 ? -# -_database_PDB_matrix.entry_id 1A4W -_database_PDB_matrix.origx[1][1] 1.000000 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 1.000000 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 1.000000 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_atom_sites.entry_id 1A4W -_atom_sites.Cartn_transform_axes ? -_atom_sites.fract_transf_matrix[1][1] 0.013992 -_atom_sites.fract_transf_matrix[1][2] 0.000000 -_atom_sites.fract_transf_matrix[1][3] 0.002753 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 0.013889 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 0.013887 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_type.symbol -N -C -O -S -NA -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.Cartn_x_esd -_atom_site.Cartn_y_esd -_atom_site.Cartn_z_esd -_atom_site.occupancy_esd -_atom_site.B_iso_or_equiv_esd -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 N N . ASP A 1 8 A 11.095 19.341 20.188 1.00 30.14 ? ? ? ? ? ? 1 ASP L N 1 -ATOM 2 C CA . ASP A 1 8 A 10.070 18.634 19.379 1.00 28.34 ? ? ? ? ? ? 1 ASP L CA 1 -ATOM 3 C C . ASP A 1 8 A 9.846 17.102 19.503 1.00 26.08 ? ? ? ? ? ? 1 ASP L C 1 -ATOM 4 O O . ASP A 1 8 A 8.744 16.584 19.162 1.00 23.47 ? ? ? ? ? ? 1 ASP L O 1 -ATOM 5 C CB . ASP A 1 8 A 10.255 18.858 17.853 1.00 37.55 ? ? ? ? ? ? 1 ASP L CB 1 -ATOM 6 C CG . ASP A 1 8 A 8.836 19.264 17.401 1.00 42.76 ? ? ? ? ? ? 1 ASP L CG 1 -ATOM 7 O OD1 . ASP A 1 8 A 8.058 19.292 18.400 1.00 44.03 ? ? ? ? ? ? 1 ASP L OD1 1 -ATOM 8 O OD2 . ASP A 1 8 A 8.616 19.668 16.244 1.00 46.88 ? ? ? ? ? ? 1 ASP L OD2 1 -ATOM 9 N N . CYS A 1 9 ? 10.835 16.440 20.113 1.00 23.72 ? ? ? ? ? ? 1 CYS L N 1 -ATOM 10 C CA . CYS A 1 9 ? 10.769 14.970 20.210 1.00 20.89 ? ? ? ? ? ? 1 CYS L CA 1 -ATOM 11 C C . CYS A 1 9 ? 9.580 14.524 21.006 1.00 18.64 ? ? ? ? ? ? 1 CYS L C 1 -ATOM 12 O O . CYS A 1 9 ? 9.110 15.220 21.912 1.00 19.03 ? ? ? ? ? ? 1 CYS L O 1 -ATOM 13 C CB . CYS A 1 9 ? 12.117 14.468 20.771 1.00 21.77 ? ? ? ? ? ? 1 CYS L CB 1 -ATOM 14 S SG . CYS A 1 9 ? 12.247 14.885 22.538 1.00 20.55 ? ? ? ? ? ? 1 CYS L SG 1 -ATOM 15 N N . GLY A 1 10 ? 9.089 13.336 20.667 1.00 17.86 ? ? ? ? ? ? 2 GLY L N 1 -ATOM 16 C CA . GLY A 1 10 ? 8.063 12.669 21.474 1.00 16.86 ? ? ? ? ? ? 2 GLY L CA 1 -ATOM 17 C C . GLY A 1 10 ? 6.676 13.272 21.469 1.00 17.77 ? ? ? ? ? ? 2 GLY L C 1 -ATOM 18 O O . GLY A 1 10 ? 5.817 12.697 22.177 1.00 18.41 ? ? ? ? ? ? 2 GLY L O 1 -ATOM 19 N N . LEU A 1 11 ? 6.402 14.258 20.605 1.00 17.18 ? ? ? ? ? ? 3 LEU L N 1 -ATOM 20 C CA . LEU A 1 11 ? 5.020 14.820 20.506 1.00 17.45 ? ? ? ? ? ? 3 LEU L CA 1 -ATOM 21 C C . LEU A 1 11 ? 4.475 14.399 19.121 1.00 18.01 ? ? ? ? ? ? 3 LEU L C 1 -ATOM 22 O O . LEU A 1 11 ? 5.050 14.872 18.152 1.00 17.71 ? ? ? ? ? ? 3 LEU L O 1 -ATOM 23 C CB . LEU A 1 11 ? 5.153 16.362 20.592 1.00 18.74 ? ? ? ? ? ? 3 LEU L CB 1 -ATOM 24 C CG . LEU A 1 11 ? 5.596 16.876 21.959 1.00 19.10 ? ? ? ? ? ? 3 LEU L CG 1 -ATOM 25 C CD1 . LEU A 1 11 ? 5.857 18.363 21.889 1.00 24.28 ? ? ? ? ? ? 3 LEU L CD1 1 -ATOM 26 C CD2 . LEU A 1 11 ? 4.508 16.554 22.974 1.00 18.04 ? ? ? ? ? ? 3 LEU L CD2 1 -ATOM 27 N N . ARG A 1 12 ? 3.440 13.556 19.122 1.00 18.12 ? ? ? ? ? ? 4 ARG L N 1 -ATOM 28 C CA . ARG A 1 12 ? 3.071 12.990 17.788 1.00 17.89 ? ? ? ? ? ? 4 ARG L CA 1 -ATOM 29 C C . ARG A 1 12 ? 2.134 13.988 17.068 1.00 17.92 ? ? ? ? ? ? 4 ARG L C 1 -ATOM 30 O O . ARG A 1 12 ? 1.174 14.450 17.660 1.00 17.08 ? ? ? ? ? ? 4 ARG L O 1 -ATOM 31 C CB . ARG A 1 12 ? 2.467 11.627 18.029 1.00 16.85 ? ? ? ? ? ? 4 ARG L CB 1 -ATOM 32 C CG . ARG A 1 12 ? 3.367 10.563 18.782 1.00 16.70 ? ? ? ? ? ? 4 ARG L CG 1 -ATOM 33 C CD . ARG A 1 12 ? 2.419 9.446 19.142 1.00 13.02 ? ? ? ? ? ? 4 ARG L CD 1 -ATOM 34 N NE . ARG A 1 12 ? 1.484 9.747 20.203 1.00 15.17 ? ? ? ? ? ? 4 ARG L NE 1 -ATOM 35 C CZ . ARG A 1 12 ? 0.562 8.963 20.751 1.00 13.48 ? ? ? ? ? ? 4 ARG L CZ 1 -ATOM 36 N NH1 . ARG A 1 12 ? 0.443 7.685 20.335 1.00 17.03 ? ? ? ? ? ? 4 ARG L NH1 1 -ATOM 37 N NH2 . ARG A 1 12 ? -0.275 9.310 21.731 1.00 13.89 ? ? ? ? ? ? 4 ARG L NH2 1 -ATOM 38 N N . PRO A 1 13 ? 2.364 14.134 15.770 1.00 18.55 ? ? ? ? ? ? 5 PRO L N 1 -ATOM 39 C CA . PRO A 1 13 ? 1.539 15.061 14.927 1.00 19.37 ? ? ? ? ? ? 5 PRO L CA 1 -ATOM 40 C C . PRO A 1 13 ? 0.083 14.714 14.917 1.00 20.23 ? ? ? ? ? ? 5 PRO L C 1 -ATOM 41 O O . PRO A 1 13 ? -0.823 15.558 15.077 1.00 22.67 ? ? ? ? ? ? 5 PRO L O 1 -ATOM 42 C CB . PRO A 1 13 ? 2.174 15.030 13.563 1.00 18.78 ? ? ? ? ? ? 5 PRO L CB 1 -ATOM 43 C CG . PRO A 1 13 ? 3.508 14.382 13.705 1.00 20.38 ? ? ? ? ? ? 5 PRO L CG 1 -ATOM 44 C CD . PRO A 1 13 ? 3.525 13.664 15.054 1.00 18.50 ? ? ? ? ? ? 5 PRO L CD 1 -ATOM 45 N N . LEU A 1 14 ? -0.219 13.406 15.013 1.00 20.42 ? ? ? ? ? ? 6 LEU L N 1 -ATOM 46 C CA . LEU A 1 14 ? -1.617 12.995 14.949 1.00 19.27 ? ? ? ? ? ? 6 LEU L CA 1 -ATOM 47 C C . LEU A 1 14 ? -2.214 12.854 16.308 1.00 19.13 ? ? ? ? ? ? 6 LEU L C 1 -ATOM 48 O O . LEU A 1 14 ? -3.421 12.472 16.320 1.00 18.99 ? ? ? ? ? ? 6 LEU L O 1 -ATOM 49 C CB . LEU A 1 14 ? -1.771 11.753 14.052 1.00 16.88 ? ? ? ? ? ? 6 LEU L CB 1 -ATOM 50 C CG . LEU A 1 14 ? -1.303 11.960 12.608 1.00 20.87 ? ? ? ? ? ? 6 LEU L CG 1 -ATOM 51 C CD1 . LEU A 1 14 ? -1.485 10.637 11.829 1.00 18.53 ? ? ? ? ? ? 6 LEU L CD1 1 -ATOM 52 C CD2 . LEU A 1 14 ? -2.202 13.079 12.077 1.00 23.77 ? ? ? ? ? ? 6 LEU L CD2 1 -ATOM 53 N N . PHE A 1 15 ? -1.435 13.030 17.371 1.00 18.39 ? ? ? ? ? ? 7 PHE L N 1 -ATOM 54 C CA . PHE A 1 15 ? -2.108 12.832 18.688 1.00 19.38 ? ? ? ? ? ? 7 PHE L CA 1 -ATOM 55 C C . PHE A 1 15 ? -1.848 14.061 19.592 1.00 19.71 ? ? ? ? ? ? 7 PHE L C 1 -ATOM 56 O O . PHE A 1 15 ? -2.605 15.044 19.526 1.00 21.49 ? ? ? ? ? ? 7 PHE L O 1 -ATOM 57 C CB . PHE A 1 15 ? -1.595 11.495 19.287 1.00 19.65 ? ? ? ? ? ? 7 PHE L CB 1 -ATOM 58 C CG . PHE A 1 15 ? -2.202 10.288 18.617 1.00 19.95 ? ? ? ? ? ? 7 PHE L CG 1 -ATOM 59 C CD1 . PHE A 1 15 ? -3.522 9.915 18.973 1.00 19.04 ? ? ? ? ? ? 7 PHE L CD1 1 -ATOM 60 C CD2 . PHE A 1 15 ? -1.516 9.686 17.561 1.00 17.87 ? ? ? ? ? ? 7 PHE L CD2 1 -ATOM 61 C CE1 . PHE A 1 15 ? -4.109 8.849 18.260 1.00 17.67 ? ? ? ? ? ? 7 PHE L CE1 1 -ATOM 62 C CE2 . PHE A 1 15 ? -2.101 8.627 16.834 1.00 16.67 ? ? ? ? ? ? 7 PHE L CE2 1 -ATOM 63 C CZ . PHE A 1 15 ? -3.367 8.222 17.221 1.00 16.37 ? ? ? ? ? ? 7 PHE L CZ 1 -ATOM 64 N N . GLU A 1 16 ? -0.649 14.133 20.195 1.00 18.01 ? ? ? ? ? ? 8 GLU L N 1 -ATOM 65 C CA . GLU A 1 16 ? -0.356 15.200 21.140 1.00 16.75 ? ? ? ? ? ? 8 GLU L CA 1 -ATOM 66 C C . GLU A 1 16 ? -0.499 16.586 20.484 1.00 17.59 ? ? ? ? ? ? 8 GLU L C 1 -ATOM 67 O O . GLU A 1 16 ? -1.173 17.450 21.090 1.00 17.01 ? ? ? ? ? ? 8 GLU L O 1 -ATOM 68 C CB . GLU A 1 16 ? 1.118 15.113 21.640 1.00 17.14 ? ? ? ? ? ? 8 GLU L CB 1 -ATOM 69 C CG . GLU A 1 16 ? 1.159 14.046 22.770 1.00 15.66 ? ? ? ? ? ? 8 GLU L CG 1 -ATOM 70 C CD . GLU A 1 16 ? 1.202 12.632 22.265 1.00 15.06 ? ? ? ? ? ? 8 GLU L CD 1 -ATOM 71 O OE1 . GLU A 1 16 ? 1.728 12.484 21.134 1.00 17.16 ? ? ? ? ? ? 8 GLU L OE1 1 -ATOM 72 O OE2 . GLU A 1 16 ? 0.840 11.717 23.033 1.00 19.50 ? ? ? ? ? ? 8 GLU L OE2 1 -ATOM 73 N N . LYS A 1 17 ? -0.044 16.610 19.273 1.00 18.40 ? ? ? ? ? ? 9 LYS L N 1 -ATOM 74 C CA . LYS A 1 17 ? -0.065 17.898 18.545 1.00 20.91 ? ? ? ? ? ? 9 LYS L CA 1 -ATOM 75 C C . LYS A 1 17 ? -1.500 18.323 18.259 1.00 21.80 ? ? ? ? ? ? 9 LYS L C 1 -ATOM 76 O O . LYS A 1 17 ? -1.601 19.532 18.107 1.00 21.53 ? ? ? ? ? ? 9 LYS L O 1 -ATOM 77 C CB . LYS A 1 17 ? 0.767 17.946 17.282 1.00 24.39 ? ? ? ? ? ? 9 LYS L CB 1 -ATOM 78 C CG . LYS A 1 17 ? 2.260 17.710 17.521 1.00 29.43 ? ? ? ? ? ? 9 LYS L CG 1 -ATOM 79 C CD . LYS A 1 17 ? 2.957 18.892 18.149 1.00 35.29 ? ? ? ? ? ? 9 LYS L CD 1 -ATOM 80 C CE . LYS A 1 17 ? 4.341 19.214 17.604 1.00 38.83 ? ? ? ? ? ? 9 LYS L CE 1 -ATOM 81 N NZ . LYS A 1 17 ? 4.724 20.558 18.197 1.00 41.45 ? ? ? ? ? ? 9 LYS L NZ 1 -ATOM 82 N N . LYS A 1 18 ? -2.499 17.479 18.376 1.00 21.52 ? ? ? ? ? ? 10 LYS L N 1 -ATOM 83 C CA . LYS A 1 18 ? -3.896 17.811 18.056 1.00 23.02 ? ? ? ? ? ? 10 LYS L CA 1 -ATOM 84 C C . LYS A 1 18 ? -4.754 17.625 19.273 1.00 22.04 ? ? ? ? ? ? 10 LYS L C 1 -ATOM 85 O O . LYS A 1 18 ? -5.984 17.776 19.242 1.00 22.20 ? ? ? ? ? ? 10 LYS L O 1 -ATOM 86 C CB . LYS A 1 18 ? -4.470 16.864 16.955 1.00 24.25 ? ? ? ? ? ? 10 LYS L CB 1 -ATOM 87 C CG . LYS A 1 18 ? -3.944 17.220 15.567 1.00 28.75 ? ? ? ? ? ? 10 LYS L CG 1 -ATOM 88 C CD . LYS A 1 18 ? -3.842 16.029 14.632 1.00 33.60 ? ? ? ? ? ? 10 LYS L CD 1 -ATOM 89 C CE . LYS A 1 18 ? -4.561 16.212 13.305 1.00 36.09 ? ? ? ? ? ? 10 LYS L CE 1 -ATOM 90 N NZ . LYS A 1 18 ? -6.027 16.109 13.685 1.00 38.97 ? ? ? ? ? ? 10 LYS L NZ 1 -ATOM 91 N N . SER A 1 19 ? -4.027 17.312 20.349 1.00 22.33 ? ? ? ? ? ? 11 SER L N 1 -ATOM 92 C CA . SER A 1 19 ? -4.667 16.965 21.604 1.00 22.03 ? ? ? ? ? ? 11 SER L CA 1 -ATOM 93 C C . SER A 1 19 ? -5.592 15.760 21.359 1.00 22.61 ? ? ? ? ? ? 11 SER L C 1 -ATOM 94 O O . SER A 1 19 ? -6.532 15.724 22.174 1.00 24.34 ? ? ? ? ? ? 11 SER L O 1 -ATOM 95 C CB . SER A 1 19 ? -5.458 17.901 22.510 1.00 25.62 ? ? ? ? ? ? 11 SER L CB 1 -ATOM 96 O OG . SER A 1 19 ? -5.424 19.222 22.024 1.00 35.68 ? ? ? ? ? ? 11 SER L OG 1 -ATOM 97 N N . LEU A 1 20 ? -5.210 14.737 20.606 1.00 21.81 ? ? ? ? ? ? 12 LEU L N 1 -ATOM 98 C CA . LEU A 1 20 ? -6.064 13.530 20.587 1.00 21.97 ? ? ? ? ? ? 12 LEU L CA 1 -ATOM 99 C C . LEU A 1 20 ? -5.275 12.448 21.363 1.00 22.30 ? ? ? ? ? ? 12 LEU L C 1 -ATOM 100 O O . LEU A 1 20 ? -4.034 12.473 21.307 1.00 21.13 ? ? ? ? ? ? 12 LEU L O 1 -ATOM 101 C CB . LEU A 1 20 ? -6.209 13.152 19.106 1.00 19.02 ? ? ? ? ? ? 12 LEU L CB 1 -ATOM 102 C CG . LEU A 1 20 ? -6.935 14.257 18.307 1.00 23.88 ? ? ? ? ? ? 12 LEU L CG 1 -ATOM 103 C CD1 . LEU A 1 20 ? -6.996 13.845 16.861 1.00 23.12 ? ? ? ? ? ? 12 LEU L CD1 1 -ATOM 104 C CD2 . LEU A 1 20 ? -8.339 14.345 18.891 1.00 22.97 ? ? ? ? ? ? 12 LEU L CD2 1 -ATOM 105 N N . GLU A 1 21 ? -5.997 11.588 22.006 1.00 22.34 ? ? ? ? ? ? 13 GLU L N 1 -ATOM 106 C CA . GLU A 1 21 ? -5.303 10.472 22.709 1.00 24.14 ? ? ? ? ? ? 13 GLU L CA 1 -ATOM 107 C C . GLU A 1 21 ? -5.380 9.199 21.913 1.00 23.81 ? ? ? ? ? ? 13 GLU L C 1 -ATOM 108 O O . GLU A 1 21 ? -6.470 8.998 21.302 1.00 25.39 ? ? ? ? ? ? 13 GLU L O 1 -ATOM 109 C CB . GLU A 1 21 ? -6.150 10.222 23.967 1.00 26.06 ? ? ? ? ? ? 13 GLU L CB 1 -ATOM 110 C CG . GLU A 1 21 ? -5.978 11.320 24.994 1.00 36.69 ? ? ? ? ? ? 13 GLU L CG 1 -ATOM 111 C CD . GLU A 1 21 ? -6.421 11.003 26.391 1.00 42.27 ? ? ? ? ? ? 13 GLU L CD 1 -ATOM 112 O OE1 . GLU A 1 21 ? -6.995 9.892 26.528 1.00 46.63 ? ? ? ? ? ? 13 GLU L OE1 1 -ATOM 113 O OE2 . GLU A 1 21 ? -6.208 11.780 27.305 1.00 46.31 ? ? ? ? ? ? 13 GLU L OE2 1 -ATOM 114 N N . ASP A 1 22 ? -4.407 8.330 21.972 1.00 22.45 ? ? ? ? ? ? 14 ASP L N 1 -ATOM 115 C CA . ASP A 1 22 ? -4.526 6.972 21.347 1.00 21.73 ? ? ? ? ? ? 14 ASP L CA 1 -ATOM 116 C C . ASP A 1 22 ? -5.408 6.153 22.306 1.00 20.49 ? ? ? ? ? ? 14 ASP L C 1 -ATOM 117 O O . ASP A 1 22 ? -5.818 6.528 23.416 1.00 19.90 ? ? ? ? ? ? 14 ASP L O 1 -ATOM 118 C CB . ASP A 1 22 ? -3.184 6.429 20.919 1.00 20.07 ? ? ? ? ? ? 14 ASP L CB 1 -ATOM 119 C CG . ASP A 1 22 ? -2.229 6.045 22.052 1.00 17.98 ? ? ? ? ? ? 14 ASP L CG 1 -ATOM 120 O OD1 . ASP A 1 22 ? -2.698 5.227 22.871 1.00 21.20 ? ? ? ? ? ? 14 ASP L OD1 1 -ATOM 121 O OD2 . ASP A 1 22 ? -1.046 6.434 21.950 1.00 20.58 ? ? ? ? ? ? 14 ASP L OD2 1 -ATOM 122 N N . LYS A 1 23 A -5.864 5.031 21.805 1.00 21.06 ? ? ? ? ? ? 14 LYS L N 1 -ATOM 123 C CA . LYS A 1 23 A -6.839 4.178 22.443 1.00 21.93 ? ? ? ? ? ? 14 LYS L CA 1 -ATOM 124 C C . LYS A 1 23 A -6.366 3.509 23.720 1.00 23.19 ? ? ? ? ? ? 14 LYS L C 1 -ATOM 125 O O . LYS A 1 23 A -7.278 3.215 24.547 1.00 24.43 ? ? ? ? ? ? 14 LYS L O 1 -ATOM 126 C CB . LYS A 1 23 A -7.402 3.138 21.440 1.00 26.01 ? ? ? ? ? ? 14 LYS L CB 1 -ATOM 127 N N . THR A 1 24 B -5.057 3.419 23.938 1.00 22.46 ? ? ? ? ? ? 14 THR L N 1 -ATOM 128 C CA . THR A 1 24 B -4.630 2.812 25.224 1.00 22.68 ? ? ? ? ? ? 14 THR L CA 1 -ATOM 129 C C . THR A 1 24 B -3.665 3.661 26.015 1.00 22.44 ? ? ? ? ? ? 14 THR L C 1 -ATOM 130 O O . THR A 1 24 B -3.189 3.038 27.011 1.00 23.82 ? ? ? ? ? ? 14 THR L O 1 -ATOM 131 C CB . THR A 1 24 B -3.981 1.384 25.060 1.00 21.88 ? ? ? ? ? ? 14 THR L CB 1 -ATOM 132 O OG1 . THR A 1 24 B -2.778 1.473 24.244 1.00 20.69 ? ? ? ? ? ? 14 THR L OG1 1 -ATOM 133 C CG2 . THR A 1 24 B -4.993 0.404 24.463 1.00 24.38 ? ? ? ? ? ? 14 THR L CG2 1 -ATOM 134 N N . GLU A 1 25 C -3.262 4.834 25.632 1.00 21.92 ? ? ? ? ? ? 14 GLU L N 1 -ATOM 135 C CA . GLU A 1 25 C -2.281 5.549 26.481 1.00 22.63 ? ? ? ? ? ? 14 GLU L CA 1 -ATOM 136 C C . GLU A 1 25 C -2.784 5.838 27.885 1.00 24.40 ? ? ? ? ? ? 14 GLU L C 1 -ATOM 137 O O . GLU A 1 25 C -1.920 5.853 28.810 1.00 24.63 ? ? ? ? ? ? 14 GLU L O 1 -ATOM 138 C CB . GLU A 1 25 C -1.728 6.812 25.841 1.00 21.93 ? ? ? ? ? ? 14 GLU L CB 1 -ATOM 139 C CG . GLU A 1 25 C -2.887 7.759 25.512 1.00 20.89 ? ? ? ? ? ? 14 GLU L CG 1 -ATOM 140 C CD . GLU A 1 25 C -2.373 9.016 24.883 1.00 22.13 ? ? ? ? ? ? 14 GLU L CD 1 -ATOM 141 O OE1 . GLU A 1 25 C -2.275 9.186 23.690 1.00 23.94 ? ? ? ? ? ? 14 GLU L OE1 1 -ATOM 142 O OE2 . GLU A 1 25 C -2.186 9.887 25.756 1.00 23.30 ? ? ? ? ? ? 14 GLU L OE2 1 -ATOM 143 N N . ARG A 1 26 D -4.072 5.948 28.168 1.00 24.26 ? ? ? ? ? ? 14 ARG L N 1 -ATOM 144 C CA . ARG A 1 26 D -4.641 6.122 29.488 1.00 25.80 ? ? ? ? ? ? 14 ARG L CA 1 -ATOM 145 C C . ARG A 1 26 D -4.150 5.006 30.459 1.00 25.99 ? ? ? ? ? ? 14 ARG L C 1 -ATOM 146 O O . ARG A 1 26 D -4.045 5.215 31.686 1.00 25.42 ? ? ? ? ? ? 14 ARG L O 1 -ATOM 147 C CB . ARG A 1 26 D -6.179 5.984 29.466 1.00 31.17 ? ? ? ? ? ? 14 ARG L CB 1 -ATOM 148 N N . GLU A 1 27 E -4.103 3.807 29.891 1.00 26.36 ? ? ? ? ? ? 14 GLU L N 1 -ATOM 149 C CA . GLU A 1 27 E -3.631 2.631 30.658 1.00 26.18 ? ? ? ? ? ? 14 GLU L CA 1 -ATOM 150 C C . GLU A 1 27 E -2.226 2.906 31.156 1.00 25.41 ? ? ? ? ? ? 14 GLU L C 1 -ATOM 151 O O . GLU A 1 27 E -1.892 2.470 32.261 1.00 26.18 ? ? ? ? ? ? 14 GLU L O 1 -ATOM 152 C CB . GLU A 1 27 E -3.681 1.336 29.867 1.00 28.05 ? ? ? ? ? ? 14 GLU L CB 1 -ATOM 153 C CG . GLU A 1 27 E -3.070 0.083 30.459 1.00 33.29 ? ? ? ? ? ? 14 GLU L CG 1 -ATOM 154 C CD . GLU A 1 27 E -2.969 -1.192 29.667 1.00 34.03 ? ? ? ? ? ? 14 GLU L CD 1 -ATOM 155 O OE1 . GLU A 1 27 E -3.332 -1.074 28.479 1.00 34.13 ? ? ? ? ? ? 14 GLU L OE1 1 -ATOM 156 O OE2 . GLU A 1 27 E -2.630 -2.275 30.156 1.00 35.06 ? ? ? ? ? ? 14 GLU L OE2 1 -ATOM 157 N N . LEU A 1 28 F -1.348 3.524 30.386 1.00 24.50 ? ? ? ? ? ? 14 LEU L N 1 -ATOM 158 C CA . LEU A 1 28 F -0.006 3.833 30.879 1.00 23.99 ? ? ? ? ? ? 14 LEU L CA 1 -ATOM 159 C C . LEU A 1 28 F -0.091 4.854 32.041 1.00 24.26 ? ? ? ? ? ? 14 LEU L C 1 -ATOM 160 O O . LEU A 1 28 F 0.422 4.617 33.153 1.00 22.84 ? ? ? ? ? ? 14 LEU L O 1 -ATOM 161 C CB . LEU A 1 28 F 0.781 4.375 29.700 1.00 21.42 ? ? ? ? ? ? 14 LEU L CB 1 -ATOM 162 C CG . LEU A 1 28 F 1.475 3.337 28.808 1.00 23.24 ? ? ? ? ? ? 14 LEU L CG 1 -ATOM 163 C CD1 . LEU A 1 28 F 0.628 2.112 28.674 1.00 22.76 ? ? ? ? ? ? 14 LEU L CD1 1 -ATOM 164 C CD2 . LEU A 1 28 F 1.842 4.008 27.493 1.00 21.79 ? ? ? ? ? ? 14 LEU L CD2 1 -ATOM 165 N N . LEU A 1 29 G -0.729 5.971 31.715 1.00 23.55 ? ? ? ? ? ? 14 LEU L N 1 -ATOM 166 C CA . LEU A 1 29 G -0.851 7.043 32.726 1.00 23.72 ? ? ? ? ? ? 14 LEU L CA 1 -ATOM 167 C C . LEU A 1 29 G -1.432 6.536 34.017 1.00 23.57 ? ? ? ? ? ? 14 LEU L C 1 -ATOM 168 O O . LEU A 1 29 G -1.013 6.946 35.128 1.00 23.28 ? ? ? ? ? ? 14 LEU L O 1 -ATOM 169 C CB . LEU A 1 29 G -1.556 8.261 32.130 1.00 25.86 ? ? ? ? ? ? 14 LEU L CB 1 -ATOM 170 C CG . LEU A 1 29 G -0.858 9.125 31.096 1.00 28.42 ? ? ? ? ? ? 14 LEU L CG 1 -ATOM 171 C CD1 . LEU A 1 29 G 0.556 9.649 31.304 1.00 25.61 ? ? ? ? ? ? 14 LEU L CD1 1 -ATOM 172 C CD2 . LEU A 1 29 G -0.874 8.435 29.722 1.00 31.26 ? ? ? ? ? ? 14 LEU L CD2 1 -ATOM 173 N N . GLU A 1 30 H -2.424 5.694 33.935 1.00 24.11 ? ? ? ? ? ? 14 GLU L N 1 -ATOM 174 C CA . GLU A 1 30 H -3.043 5.235 35.174 1.00 25.85 ? ? ? ? ? ? 14 GLU L CA 1 -ATOM 175 C C . GLU A 1 30 H -2.074 4.373 35.958 1.00 26.07 ? ? ? ? ? ? 14 GLU L C 1 -ATOM 176 O O . GLU A 1 30 H -2.451 4.176 37.131 1.00 26.57 ? ? ? ? ? ? 14 GLU L O 1 -ATOM 177 C CB . GLU A 1 30 H -4.323 4.401 35.011 1.00 27.91 ? ? ? ? ? ? 14 GLU L CB 1 -ATOM 178 C CG . GLU A 1 30 H -5.419 5.211 34.318 1.00 35.96 ? ? ? ? ? ? 14 GLU L CG 1 -ATOM 179 C CD . GLU A 1 30 H -6.718 4.479 34.136 1.00 39.04 ? ? ? ? ? ? 14 GLU L CD 1 -ATOM 180 O OE1 . GLU A 1 30 H -6.593 3.234 34.231 1.00 42.07 ? ? ? ? ? ? 14 GLU L OE1 1 -ATOM 181 O OE2 . GLU A 1 30 H -7.734 5.163 33.995 1.00 43.42 ? ? ? ? ? ? 14 GLU L OE2 1 -ATOM 182 N N . SER A 1 31 I -1.012 3.894 35.412 1.00 26.64 ? ? ? ? ? ? 14 SER L N 1 -ATOM 183 C CA . SER A 1 31 I -0.118 2.994 36.205 1.00 28.38 ? ? ? ? ? ? 14 SER L CA 1 -ATOM 184 C C . SER A 1 31 I 0.953 3.784 36.970 1.00 29.21 ? ? ? ? ? ? 14 SER L C 1 -ATOM 185 O O . SER A 1 31 I 1.685 3.205 37.785 1.00 30.32 ? ? ? ? ? ? 14 SER L O 1 -ATOM 186 C CB . SER A 1 31 I 0.546 1.995 35.273 1.00 26.76 ? ? ? ? ? ? 14 SER L CB 1 -ATOM 187 O OG . SER A 1 31 I 1.527 2.626 34.440 1.00 26.27 ? ? ? ? ? ? 14 SER L OG 1 -ATOM 188 N N . TYR A 1 32 J 1.134 5.021 36.595 1.00 29.71 ? ? ? ? ? ? 14 TYR L N 1 -ATOM 189 C CA . TYR A 1 32 J 2.164 5.937 37.054 1.00 31.38 ? ? ? ? ? ? 14 TYR L CA 1 -ATOM 190 C C . TYR A 1 32 J 1.671 6.599 38.322 1.00 34.51 ? ? ? ? ? ? 14 TYR L C 1 -ATOM 191 O O . TYR A 1 32 J 1.146 7.709 38.192 1.00 35.41 ? ? ? ? ? ? 14 TYR L O 1 -ATOM 192 C CB . TYR A 1 32 J 2.497 6.986 35.993 1.00 26.63 ? ? ? ? ? ? 14 TYR L CB 1 -ATOM 193 C CG . TYR A 1 32 J 2.996 6.541 34.653 1.00 27.22 ? ? ? ? ? ? 14 TYR L CG 1 -ATOM 194 C CD1 . TYR A 1 32 J 3.543 5.261 34.480 1.00 25.01 ? ? ? ? ? ? 14 TYR L CD1 1 -ATOM 195 C CD2 . TYR A 1 32 J 2.930 7.388 33.520 1.00 26.08 ? ? ? ? ? ? 14 TYR L CD2 1 -ATOM 196 C CE1 . TYR A 1 32 J 3.866 4.827 33.193 1.00 27.70 ? ? ? ? ? ? 14 TYR L CE1 1 -ATOM 197 C CE2 . TYR A 1 32 J 3.412 6.992 32.279 1.00 24.84 ? ? ? ? ? ? 14 TYR L CE2 1 -ATOM 198 C CZ . TYR A 1 32 J 3.856 5.702 32.087 1.00 27.55 ? ? ? ? ? ? 14 TYR L CZ 1 -ATOM 199 O OH . TYR A 1 32 J 4.260 5.239 30.842 1.00 24.38 ? ? ? ? ? ? 14 TYR L OH 1 -ATOM 200 N N . ILE A 1 33 K 1.794 5.927 39.444 1.00 36.84 ? ? ? ? ? ? 14 ILE L N 1 -ATOM 201 C CA . ILE A 1 33 K 1.345 6.506 40.743 1.00 39.69 ? ? ? ? ? ? 14 ILE L CA 1 -ATOM 202 C C . ILE A 1 33 K 0.014 5.755 41.031 1.00 41.10 ? ? ? ? ? ? 14 ILE L C 1 -ATOM 203 O O . ILE A 1 33 K 0.229 4.528 41.260 1.00 43.24 ? ? ? ? ? ? 14 ILE L O 1 -ATOM 204 N N . ILE B 2 1 ? 5.006 -9.272 18.209 1.00 18.00 ? ? ? ? ? ? 16 ILE H N 1 -ATOM 205 C CA . ILE B 2 1 ? 4.289 -8.948 19.452 1.00 18.46 ? ? ? ? ? ? 16 ILE H CA 1 -ATOM 206 C C . ILE B 2 1 ? 3.264 -10.040 19.684 1.00 21.62 ? ? ? ? ? ? 16 ILE H C 1 -ATOM 207 O O . ILE B 2 1 ? 2.401 -10.298 18.813 1.00 22.36 ? ? ? ? ? ? 16 ILE H O 1 -ATOM 208 C CB . ILE B 2 1 ? 3.649 -7.510 19.422 1.00 20.13 ? ? ? ? ? ? 16 ILE H CB 1 -ATOM 209 C CG1 . ILE B 2 1 ? 4.598 -6.342 19.038 1.00 16.87 ? ? ? ? ? ? 16 ILE H CG1 1 -ATOM 210 C CG2 . ILE B 2 1 ? 2.823 -7.212 20.706 1.00 17.00 ? ? ? ? ? ? 16 ILE H CG2 1 -ATOM 211 C CD1 . ILE B 2 1 ? 5.740 -6.135 20.083 1.00 17.05 ? ? ? ? ? ? 16 ILE H CD1 1 -ATOM 212 N N . VAL B 2 2 ? 3.196 -10.623 20.870 1.00 22.67 ? ? ? ? ? ? 17 VAL H N 1 -ATOM 213 C CA . VAL B 2 2 ? 2.251 -11.640 21.335 1.00 24.14 ? ? ? ? ? ? 17 VAL H CA 1 -ATOM 214 C C . VAL B 2 2 ? 1.213 -11.007 22.252 1.00 25.33 ? ? ? ? ? ? 17 VAL H C 1 -ATOM 215 O O . VAL B 2 2 ? 1.390 -10.263 23.236 1.00 26.75 ? ? ? ? ? ? 17 VAL H O 1 -ATOM 216 C CB . VAL B 2 2 ? 2.941 -12.886 21.985 1.00 22.11 ? ? ? ? ? ? 17 VAL H CB 1 -ATOM 217 C CG1 . VAL B 2 2 ? 1.887 -13.875 22.432 1.00 21.21 ? ? ? ? ? ? 17 VAL H CG1 1 -ATOM 218 C CG2 . VAL B 2 2 ? 4.016 -13.485 21.128 1.00 18.47 ? ? ? ? ? ? 17 VAL H CG2 1 -ATOM 219 N N . GLU B 2 3 ? -0.064 -11.226 21.872 1.00 26.46 ? ? ? ? ? ? 18 GLU H N 1 -ATOM 220 C CA . GLU B 2 3 ? -1.235 -10.713 22.558 1.00 25.57 ? ? ? ? ? ? 18 GLU H CA 1 -ATOM 221 C C . GLU B 2 3 ? -1.369 -9.196 22.525 1.00 25.17 ? ? ? ? ? ? 18 GLU H C 1 -ATOM 222 O O . GLU B 2 3 ? -1.849 -8.686 23.568 1.00 25.14 ? ? ? ? ? ? 18 GLU H O 1 -ATOM 223 C CB . GLU B 2 3 ? -1.302 -11.052 24.049 1.00 31.69 ? ? ? ? ? ? 18 GLU H CB 1 -ATOM 224 C CG . GLU B 2 3 ? -1.463 -12.554 24.287 1.00 41.45 ? ? ? ? ? ? 18 GLU H CG 1 -ATOM 225 C CD . GLU B 2 3 ? -2.891 -13.036 24.336 1.00 46.71 ? ? ? ? ? ? 18 GLU H CD 1 -ATOM 226 O OE1 . GLU B 2 3 ? -3.557 -12.394 25.199 1.00 50.00 ? ? ? ? ? ? 18 GLU H OE1 1 -ATOM 227 O OE2 . GLU B 2 3 ? -3.297 -13.991 23.683 1.00 50.00 ? ? ? ? ? ? 18 GLU H OE2 1 -ATOM 228 N N . GLY B 2 4 ? -0.915 -8.626 21.436 1.00 25.00 ? ? ? ? ? ? 19 GLY H N 1 -ATOM 229 C CA . GLY B 2 4 ? -0.948 -7.187 21.202 1.00 24.77 ? ? ? ? ? ? 19 GLY H CA 1 -ATOM 230 C C . GLY B 2 4 ? -2.218 -6.886 20.368 1.00 26.81 ? ? ? ? ? ? 19 GLY H C 1 -ATOM 231 O O . GLY B 2 4 ? -3.161 -7.694 20.297 1.00 26.00 ? ? ? ? ? ? 19 GLY H O 1 -ATOM 232 N N . SER B 2 5 ? -2.192 -5.666 19.818 1.00 26.26 ? ? ? ? ? ? 20 SER H N 1 -ATOM 233 C CA . SER B 2 5 ? -3.365 -5.232 19.010 1.00 25.89 ? ? ? ? ? ? 20 SER H CA 1 -ATOM 234 C C . SER B 2 5 ? -2.775 -4.289 17.987 1.00 24.83 ? ? ? ? ? ? 20 SER H C 1 -ATOM 235 O O . SER B 2 5 ? -1.557 -4.036 17.966 1.00 23.59 ? ? ? ? ? ? 20 SER H O 1 -ATOM 236 C CB . SER B 2 5 ? -4.468 -4.736 19.894 1.00 29.18 ? ? ? ? ? ? 20 SER H CB 1 -ATOM 237 O OG . SER B 2 5 ? -4.155 -3.462 20.424 1.00 33.92 ? ? ? ? ? ? 20 SER H OG 1 -ATOM 238 N N . ASP B 2 6 ? -3.574 -4.169 16.917 1.00 24.63 ? ? ? ? ? ? 21 ASP H N 1 -ATOM 239 C CA . ASP B 2 6 ? -3.168 -3.338 15.769 1.00 24.12 ? ? ? ? ? ? 21 ASP H CA 1 -ATOM 240 C C . ASP B 2 6 ? -2.978 -1.886 16.253 1.00 23.22 ? ? ? ? ? ? 21 ASP H C 1 -ATOM 241 O O . ASP B 2 6 ? -3.817 -1.383 17.002 1.00 23.09 ? ? ? ? ? ? 21 ASP H O 1 -ATOM 242 C CB . ASP B 2 6 ? -4.275 -3.390 14.720 1.00 26.77 ? ? ? ? ? ? 21 ASP H CB 1 -ATOM 243 C CG . ASP B 2 6 ? -4.272 -4.691 13.931 1.00 31.32 ? ? ? ? ? ? 21 ASP H CG 1 -ATOM 244 O OD1 . ASP B 2 6 ? -3.741 -5.715 14.319 1.00 29.36 ? ? ? ? ? ? 21 ASP H OD1 1 -ATOM 245 O OD2 . ASP B 2 6 ? -4.773 -4.559 12.770 1.00 38.88 ? ? ? ? ? ? 21 ASP H OD2 1 -ATOM 246 N N . ALA B 2 7 ? -1.871 -1.345 15.828 1.00 23.52 ? ? ? ? ? ? 22 ALA H N 1 -ATOM 247 C CA . ALA B 2 7 ? -1.634 0.072 16.185 1.00 23.33 ? ? ? ? ? ? 22 ALA H CA 1 -ATOM 248 C C . ALA B 2 7 ? -2.573 0.943 15.325 1.00 24.24 ? ? ? ? ? ? 22 ALA H C 1 -ATOM 249 O O . ALA B 2 7 ? -3.031 0.541 14.231 1.00 24.34 ? ? ? ? ? ? 22 ALA H O 1 -ATOM 250 C CB . ALA B 2 7 ? -0.197 0.344 15.841 1.00 20.32 ? ? ? ? ? ? 22 ALA H CB 1 -ATOM 251 N N . GLU B 2 8 ? -2.837 2.123 15.860 1.00 23.82 ? ? ? ? ? ? 23 GLU H N 1 -ATOM 252 C CA . GLU B 2 8 ? -3.546 3.191 15.143 1.00 22.74 ? ? ? ? ? ? 23 GLU H CA 1 -ATOM 253 C C . GLU B 2 8 ? -2.580 3.859 14.204 1.00 21.74 ? ? ? ? ? ? 23 GLU H C 1 -ATOM 254 O O . GLU B 2 8 ? -1.354 3.888 14.437 1.00 20.95 ? ? ? ? ? ? 23 GLU H O 1 -ATOM 255 C CB . GLU B 2 8 ? -4.019 4.278 16.112 1.00 19.49 ? ? ? ? ? ? 23 GLU H CB 1 -ATOM 256 C CG . GLU B 2 8 ? -5.054 3.759 17.092 1.00 24.35 ? ? ? ? ? ? 23 GLU H CG 1 -ATOM 257 C CD . GLU B 2 8 ? -5.538 4.709 18.159 1.00 28.76 ? ? ? ? ? ? 23 GLU H CD 1 -ATOM 258 O OE1 . GLU B 2 8 ? -6.316 5.609 17.843 1.00 31.88 ? ? ? ? ? ? 23 GLU H OE1 1 -ATOM 259 O OE2 . GLU B 2 8 ? -5.321 4.329 19.331 1.00 29.89 ? ? ? ? ? ? 23 GLU H OE2 1 -ATOM 260 N N . ILE B 2 9 ? -3.091 4.510 13.166 1.00 21.43 ? ? ? ? ? ? 24 ILE H N 1 -ATOM 261 C CA . ILE B 2 9 ? -2.175 5.193 12.217 1.00 20.74 ? ? ? ? ? ? 24 ILE H CA 1 -ATOM 262 C C . ILE B 2 9 ? -1.479 6.323 13.016 1.00 20.50 ? ? ? ? ? ? 24 ILE H C 1 -ATOM 263 O O . ILE B 2 9 ? -2.195 6.988 13.751 1.00 20.47 ? ? ? ? ? ? 24 ILE H O 1 -ATOM 264 C CB . ILE B 2 9 ? -2.992 5.702 10.974 1.00 19.53 ? ? ? ? ? ? 24 ILE H CB 1 -ATOM 265 C CG1 . ILE B 2 9 ? -3.661 4.500 10.253 1.00 21.84 ? ? ? ? ? ? 24 ILE H CG1 1 -ATOM 266 C CG2 . ILE B 2 9 ? -2.017 6.422 9.995 1.00 19.12 ? ? ? ? ? ? 24 ILE H CG2 1 -ATOM 267 C CD1 . ILE B 2 9 ? -2.567 3.569 9.692 1.00 24.10 ? ? ? ? ? ? 24 ILE H CD1 1 -ATOM 268 N N . GLY B 2 10 ? -0.222 6.519 12.778 1.00 20.93 ? ? ? ? ? ? 25 GLY H N 1 -ATOM 269 C CA . GLY B 2 10 ? 0.658 7.487 13.409 1.00 21.31 ? ? ? ? ? ? 25 GLY H CA 1 -ATOM 270 C C . GLY B 2 10 ? 0.824 7.287 14.920 1.00 20.95 ? ? ? ? ? ? 25 GLY H C 1 -ATOM 271 O O . GLY B 2 10 ? 1.237 8.274 15.562 1.00 20.35 ? ? ? ? ? ? 25 GLY H O 1 -ATOM 272 N N . MET B 2 11 ? 0.477 6.146 15.493 1.00 20.22 ? ? ? ? ? ? 26 MET H N 1 -ATOM 273 C CA . MET B 2 11 ? 0.601 5.994 16.965 1.00 19.41 ? ? ? ? ? ? 26 MET H CA 1 -ATOM 274 C C . MET B 2 11 ? 2.089 5.890 17.386 1.00 18.39 ? ? ? ? ? ? 26 MET H C 1 -ATOM 275 O O . MET B 2 11 ? 2.394 6.251 18.531 1.00 19.23 ? ? ? ? ? ? 26 MET H O 1 -ATOM 276 C CB . MET B 2 11 ? -0.143 4.752 17.354 1.00 20.64 ? ? ? ? ? ? 26 MET H CB 1 -ATOM 277 C CG . MET B 2 11 ? -0.656 4.594 18.745 1.00 23.70 ? ? ? ? ? ? 26 MET H CG 1 -ATOM 278 S SD . MET B 2 11 ? -0.862 2.768 18.926 1.00 28.83 ? ? ? ? ? ? 26 MET H SD 1 -ATOM 279 C CE . MET B 2 11 ? -1.963 2.717 20.331 1.00 26.00 ? ? ? ? ? ? 26 MET H CE 1 -ATOM 280 N N . SER B 2 12 ? 2.933 5.415 16.530 1.00 16.27 ? ? ? ? ? ? 27 SER H N 1 -ATOM 281 C CA . SER B 2 12 ? 4.368 5.208 16.862 1.00 17.12 ? ? ? ? ? ? 27 SER H CA 1 -ATOM 282 C C . SER B 2 12 ? 5.246 5.619 15.738 1.00 14.64 ? ? ? ? ? ? 27 SER H C 1 -ATOM 283 O O . SER B 2 12 ? 5.898 4.930 14.957 1.00 14.70 ? ? ? ? ? ? 27 SER H O 1 -ATOM 284 C CB . SER B 2 12 ? 4.464 3.761 17.397 1.00 20.90 ? ? ? ? ? ? 27 SER H CB 1 -ATOM 285 O OG . SER B 2 12 ? 5.868 3.496 17.419 1.00 24.38 ? ? ? ? ? ? 27 SER H OG 1 -ATOM 286 N N . PRO B 2 13 ? 5.380 6.961 15.577 1.00 15.97 ? ? ? ? ? ? 28 PRO H N 1 -ATOM 287 C CA . PRO B 2 13 ? 5.996 7.545 14.389 1.00 16.31 ? ? ? ? ? ? 28 PRO H CA 1 -ATOM 288 C C . PRO B 2 13 ? 7.486 7.457 14.331 1.00 16.18 ? ? ? ? ? ? 28 PRO H C 1 -ATOM 289 O O . PRO B 2 13 ? 8.106 7.817 13.320 1.00 14.94 ? ? ? ? ? ? 28 PRO H O 1 -ATOM 290 C CB . PRO B 2 13 ? 5.573 9.028 14.357 1.00 16.23 ? ? ? ? ? ? 28 PRO H CB 1 -ATOM 291 C CG . PRO B 2 13 ? 5.164 9.263 15.766 1.00 15.06 ? ? ? ? ? ? 28 PRO H CG 1 -ATOM 292 C CD . PRO B 2 13 ? 4.752 7.993 16.418 1.00 13.91 ? ? ? ? ? ? 28 PRO H CD 1 -ATOM 293 N N . TRP B 2 14 ? 8.049 7.046 15.479 1.00 15.48 ? ? ? ? ? ? 29 TRP H N 1 -ATOM 294 C CA . TRP B 2 14 ? 9.529 6.822 15.480 1.00 14.57 ? ? ? ? ? ? 29 TRP H CA 1 -ATOM 295 C C . TRP B 2 14 ? 9.834 5.360 15.196 1.00 15.24 ? ? ? ? ? ? 29 TRP H C 1 -ATOM 296 O O . TRP B 2 14 ? 11.002 5.014 15.053 1.00 15.39 ? ? ? ? ? ? 29 TRP H O 1 -ATOM 297 C CB . TRP B 2 14 ? 10.044 7.135 16.922 1.00 15.71 ? ? ? ? ? ? 29 TRP H CB 1 -ATOM 298 C CG . TRP B 2 14 ? 9.029 6.737 17.951 1.00 13.03 ? ? ? ? ? ? 29 TRP H CG 1 -ATOM 299 C CD1 . TRP B 2 14 ? 8.765 5.476 18.449 1.00 13.65 ? ? ? ? ? ? 29 TRP H CD1 1 -ATOM 300 C CD2 . TRP B 2 14 ? 8.067 7.597 18.558 1.00 12.63 ? ? ? ? ? ? 29 TRP H CD2 1 -ATOM 301 N NE1 . TRP B 2 14 ? 7.741 5.512 19.328 1.00 12.17 ? ? ? ? ? ? 29 TRP H NE1 1 -ATOM 302 C CE2 . TRP B 2 14 ? 7.305 6.800 19.421 1.00 12.32 ? ? ? ? ? ? 29 TRP H CE2 1 -ATOM 303 C CE3 . TRP B 2 14 ? 7.861 8.969 18.511 1.00 14.75 ? ? ? ? ? ? 29 TRP H CE3 1 -ATOM 304 C CZ2 . TRP B 2 14 ? 6.252 7.333 20.172 1.00 15.46 ? ? ? ? ? ? 29 TRP H CZ2 1 -ATOM 305 C CZ3 . TRP B 2 14 ? 6.857 9.524 19.290 1.00 14.88 ? ? ? ? ? ? 29 TRP H CZ3 1 -ATOM 306 C CH2 . TRP B 2 14 ? 6.113 8.700 20.109 1.00 15.02 ? ? ? ? ? ? 29 TRP H CH2 1 -ATOM 307 N N . GLN B 2 15 ? 8.838 4.531 14.959 1.00 17.28 ? ? ? ? ? ? 30 GLN H N 1 -ATOM 308 C CA . GLN B 2 15 ? 9.059 3.110 14.641 1.00 17.51 ? ? ? ? ? ? 30 GLN H CA 1 -ATOM 309 C C . GLN B 2 15 ? 9.750 2.951 13.310 1.00 19.03 ? ? ? ? ? ? 30 GLN H C 1 -ATOM 310 O O . GLN B 2 15 ? 9.366 3.598 12.280 1.00 20.01 ? ? ? ? ? ? 30 GLN H O 1 -ATOM 311 C CB . GLN B 2 15 ? 7.790 2.299 14.699 1.00 19.34 ? ? ? ? ? ? 30 GLN H CB 1 -ATOM 312 C CG . GLN B 2 15 ? 7.929 0.823 14.436 1.00 17.15 ? ? ? ? ? ? 30 GLN H CG 1 -ATOM 313 C CD . GLN B 2 15 ? 8.558 0.046 15.569 1.00 17.30 ? ? ? ? ? ? 30 GLN H CD 1 -ATOM 314 O OE1 . GLN B 2 15 ? 8.098 0.299 16.654 1.00 20.69 ? ? ? ? ? ? 30 GLN H OE1 1 -ATOM 315 N NE2 . GLN B 2 15 ? 9.402 -0.904 15.198 1.00 21.27 ? ? ? ? ? ? 30 GLN H NE2 1 -ATOM 316 N N . VAL B 2 16 ? 10.838 2.190 13.332 1.00 16.74 ? ? ? ? ? ? 31 VAL H N 1 -ATOM 317 C CA . VAL B 2 16 ? 11.625 1.974 12.153 1.00 17.96 ? ? ? ? ? ? 31 VAL H CA 1 -ATOM 318 C C . VAL B 2 16 ? 11.613 0.492 11.772 1.00 19.31 ? ? ? ? ? ? 31 VAL H C 1 -ATOM 319 O O . VAL B 2 16 ? 11.628 -0.360 12.711 1.00 19.16 ? ? ? ? ? ? 31 VAL H O 1 -ATOM 320 C CB . VAL B 2 16 ? 13.047 2.568 12.238 1.00 17.69 ? ? ? ? ? ? 31 VAL H CB 1 -ATOM 321 C CG1 . VAL B 2 16 ? 13.856 2.179 10.994 1.00 17.76 ? ? ? ? ? ? 31 VAL H CG1 1 -ATOM 322 C CG2 . VAL B 2 16 ? 13.089 4.053 12.490 1.00 15.35 ? ? ? ? ? ? 31 VAL H CG2 1 -ATOM 323 N N . MET B 2 17 ? 11.777 0.162 10.493 1.00 18.34 ? ? ? ? ? ? 32 MET H N 1 -ATOM 324 C CA . MET B 2 17 ? 11.830 -1.295 10.156 1.00 19.33 ? ? ? ? ? ? 32 MET H CA 1 -ATOM 325 C C . MET B 2 17 ? 13.214 -1.480 9.544 1.00 19.74 ? ? ? ? ? ? 32 MET H C 1 -ATOM 326 O O . MET B 2 17 ? 13.590 -0.693 8.659 1.00 18.74 ? ? ? ? ? ? 32 MET H O 1 -ATOM 327 C CB . MET B 2 17 ? 10.746 -1.763 9.147 1.00 21.17 ? ? ? ? ? ? 32 MET H CB 1 -ATOM 328 C CG . MET B 2 17 ? 11.035 -3.165 8.612 1.00 20.84 ? ? ? ? ? ? 32 MET H CG 1 -ATOM 329 S SD . MET B 2 17 ? 9.755 -3.574 7.310 1.00 22.36 ? ? ? ? ? ? 32 MET H SD 1 -ATOM 330 C CE . MET B 2 17 ? 8.275 -3.732 8.209 1.00 17.40 ? ? ? ? ? ? 32 MET H CE 1 -ATOM 331 N N . LEU B 2 18 ? 13.971 -2.440 10.065 1.00 19.91 ? ? ? ? ? ? 33 LEU H N 1 -ATOM 332 C CA . LEU B 2 18 ? 15.236 -2.888 9.516 1.00 22.36 ? ? ? ? ? ? 33 LEU H CA 1 -ATOM 333 C C . LEU B 2 18 ? 14.889 -3.997 8.495 1.00 22.11 ? ? ? ? ? ? 33 LEU H C 1 -ATOM 334 O O . LEU B 2 18 ? 14.346 -5.055 8.835 1.00 23.62 ? ? ? ? ? ? 33 LEU H O 1 -ATOM 335 C CB . LEU B 2 18 ? 16.173 -3.438 10.651 1.00 24.80 ? ? ? ? ? ? 33 LEU H CB 1 -ATOM 336 C CG . LEU B 2 18 ? 17.397 -2.585 10.944 1.00 25.86 ? ? ? ? ? ? 33 LEU H CG 1 -ATOM 337 C CD1 . LEU B 2 18 ? 16.966 -1.179 11.274 1.00 25.67 ? ? ? ? ? ? 33 LEU H CD1 1 -ATOM 338 C CD2 . LEU B 2 18 ? 18.120 -3.179 12.150 1.00 23.89 ? ? ? ? ? ? 33 LEU H CD2 1 -ATOM 339 N N . PHE B 2 19 ? 15.306 -3.741 7.298 1.00 23.99 ? ? ? ? ? ? 34 PHE H N 1 -ATOM 340 C CA . PHE B 2 19 ? 14.858 -4.571 6.127 1.00 26.50 ? ? ? ? ? ? 34 PHE H CA 1 -ATOM 341 C C . PHE B 2 19 ? 16.054 -5.035 5.318 1.00 28.00 ? ? ? ? ? ? 34 PHE H C 1 -ATOM 342 O O . PHE B 2 19 ? 16.911 -4.248 4.865 1.00 28.42 ? ? ? ? ? ? 34 PHE H O 1 -ATOM 343 C CB . PHE B 2 19 ? 13.897 -3.679 5.287 1.00 28.04 ? ? ? ? ? ? 34 PHE H CB 1 -ATOM 344 C CG . PHE B 2 19 ? 13.153 -4.439 4.209 1.00 27.44 ? ? ? ? ? ? 34 PHE H CG 1 -ATOM 345 C CD1 . PHE B 2 19 ? 12.124 -5.321 4.595 1.00 28.85 ? ? ? ? ? ? 34 PHE H CD1 1 -ATOM 346 C CD2 . PHE B 2 19 ? 13.656 -4.438 2.907 1.00 26.68 ? ? ? ? ? ? 34 PHE H CD2 1 -ATOM 347 C CE1 . PHE B 2 19 ? 11.480 -6.100 3.643 1.00 28.99 ? ? ? ? ? ? 34 PHE H CE1 1 -ATOM 348 C CE2 . PHE B 2 19 ? 13.019 -5.231 1.934 1.00 28.27 ? ? ? ? ? ? 34 PHE H CE2 1 -ATOM 349 C CZ . PHE B 2 19 ? 11.948 -6.041 2.331 1.00 27.55 ? ? ? ? ? ? 34 PHE H CZ 1 -ATOM 350 N N . ARG B 2 20 ? 16.132 -6.363 5.206 1.00 29.69 ? ? ? ? ? ? 35 ARG H N 1 -ATOM 351 C CA . ARG B 2 20 ? 17.246 -6.951 4.425 1.00 32.22 ? ? ? ? ? ? 35 ARG H CA 1 -ATOM 352 C C . ARG B 2 20 ? 17.046 -6.751 2.929 1.00 34.40 ? ? ? ? ? ? 35 ARG H C 1 -ATOM 353 O O . ARG B 2 20 ? 15.909 -6.820 2.402 1.00 34.90 ? ? ? ? ? ? 35 ARG H O 1 -ATOM 354 C CB . ARG B 2 20 ? 17.325 -8.429 4.813 1.00 32.94 ? ? ? ? ? ? 35 ARG H CB 1 -ATOM 355 C CG . ARG B 2 20 ? 18.671 -8.974 4.354 1.00 35.87 ? ? ? ? ? ? 35 ARG H CG 1 -ATOM 356 C CD . ARG B 2 20 ? 18.821 -10.362 4.882 1.00 38.70 ? ? ? ? ? ? 35 ARG H CD 1 -ATOM 357 N NE . ARG B 2 20 ? 20.147 -10.783 4.379 1.00 42.64 ? ? ? ? ? ? 35 ARG H NE 1 -ATOM 358 C CZ . ARG B 2 20 ? 20.538 -12.024 4.740 1.00 43.83 ? ? ? ? ? ? 35 ARG H CZ 1 -ATOM 359 N NH1 . ARG B 2 20 ? 19.755 -12.779 5.516 1.00 41.38 ? ? ? ? ? ? 35 ARG H NH1 1 -ATOM 360 N NH2 . ARG B 2 20 ? 21.753 -12.318 4.276 1.00 45.03 ? ? ? ? ? ? 35 ARG H NH2 1 -ATOM 361 N N . LYS B 2 21 ? 18.113 -6.415 2.214 1.00 36.59 ? ? ? ? ? ? 36 LYS H N 1 -ATOM 362 C CA . LYS B 2 21 ? 18.016 -6.175 0.756 1.00 38.46 ? ? ? ? ? ? 36 LYS H CA 1 -ATOM 363 C C . LYS B 2 21 ? 17.787 -7.471 -0.021 1.00 39.84 ? ? ? ? ? ? 36 LYS H C 1 -ATOM 364 O O . LYS B 2 21 ? 16.886 -7.496 -0.881 1.00 41.46 ? ? ? ? ? ? 36 LYS H O 1 -ATOM 365 C CB . LYS B 2 21 ? 19.214 -5.526 0.144 1.00 36.13 ? ? ? ? ? ? 36 LYS H CB 1 -ATOM 366 C CG . LYS B 2 21 ? 19.455 -4.069 0.535 1.00 36.91 ? ? ? ? ? ? 36 LYS H CG 1 -ATOM 367 C CD . LYS B 2 21 ? 20.724 -3.628 -0.182 1.00 37.63 ? ? ? ? ? ? 36 LYS H CD 1 -ATOM 368 C CE . LYS B 2 21 ? 20.894 -2.136 -0.127 1.00 40.58 ? ? ? ? ? ? 36 LYS H CE 1 -ATOM 369 N NZ . LYS B 2 21 ? 22.321 -1.755 -0.335 1.00 42.58 ? ? ? ? ? ? 36 LYS H NZ 1 -ATOM 370 N N . SER B 2 22 A 18.449 -8.537 0.358 1.00 40.23 ? ? ? ? ? ? 36 SER H N 1 -ATOM 371 C CA . SER B 2 22 A 18.338 -9.784 -0.413 1.00 41.21 ? ? ? ? ? ? 36 SER H CA 1 -ATOM 372 C C . SER B 2 22 A 18.842 -10.957 0.405 1.00 41.02 ? ? ? ? ? ? 36 SER H C 1 -ATOM 373 O O . SER B 2 22 A 20.065 -10.944 0.652 1.00 41.56 ? ? ? ? ? ? 36 SER H O 1 -ATOM 374 C CB . SER B 2 22 A 19.280 -9.642 -1.630 1.00 43.76 ? ? ? ? ? ? 36 SER H CB 1 -ATOM 375 O OG . SER B 2 22 A 18.866 -10.532 -2.670 1.00 48.38 ? ? ? ? ? ? 36 SER H OG 1 -ATOM 376 N N . PRO B 2 23 ? 18.000 -11.921 0.721 1.00 41.12 ? ? ? ? ? ? 37 PRO H N 1 -ATOM 377 C CA . PRO B 2 23 ? 16.581 -11.965 0.399 1.00 40.74 ? ? ? ? ? ? 37 PRO H CA 1 -ATOM 378 C C . PRO B 2 23 ? 15.901 -10.756 1.039 1.00 40.99 ? ? ? ? ? ? 37 PRO H C 1 -ATOM 379 O O . PRO B 2 23 ? 16.391 -10.347 2.106 1.00 41.62 ? ? ? ? ? ? 37 PRO H O 1 -ATOM 380 C CB . PRO B 2 23 ? 16.058 -13.217 1.096 1.00 41.20 ? ? ? ? ? ? 37 PRO H CB 1 -ATOM 381 C CG . PRO B 2 23 ? 17.164 -13.785 1.921 1.00 41.23 ? ? ? ? ? ? 37 PRO H CG 1 -ATOM 382 C CD . PRO B 2 23 ? 18.438 -13.046 1.549 1.00 41.39 ? ? ? ? ? ? 37 PRO H CD 1 -ATOM 383 N N . GLN B 2 24 ? 14.739 -10.399 0.566 1.00 40.36 ? ? ? ? ? ? 38 GLN H N 1 -ATOM 384 C CA . GLN B 2 24 ? 13.980 -9.281 1.159 1.00 39.71 ? ? ? ? ? ? 38 GLN H CA 1 -ATOM 385 C C . GLN B 2 24 ? 13.354 -9.835 2.413 1.00 38.89 ? ? ? ? ? ? 38 GLN H C 1 -ATOM 386 O O . GLN B 2 24 ? 12.957 -11.019 2.380 1.00 39.57 ? ? ? ? ? ? 38 GLN H O 1 -ATOM 387 C CB . GLN B 2 24 ? 12.963 -8.714 0.157 1.00 42.47 ? ? ? ? ? ? 38 GLN H CB 1 -ATOM 388 C CG . GLN B 2 24 ? 13.756 -8.069 -0.954 1.00 45.27 ? ? ? ? ? ? 38 GLN H CG 1 -ATOM 389 C CD . GLN B 2 24 ? 13.197 -6.911 -1.709 1.00 47.96 ? ? ? ? ? ? 38 GLN H CD 1 -ATOM 390 O OE1 . GLN B 2 24 ? 11.991 -6.686 -1.839 1.00 50.00 ? ? ? ? ? ? 38 GLN H OE1 1 -ATOM 391 N NE2 . GLN B 2 24 ? 14.167 -6.186 -2.280 1.00 49.60 ? ? ? ? ? ? 38 GLN H NE2 1 -ATOM 392 N N . GLU B 2 25 ? 13.496 -9.154 3.532 1.00 36.68 ? ? ? ? ? ? 39 GLU H N 1 -ATOM 393 C CA . GLU B 2 25 ? 12.870 -9.726 4.756 1.00 34.95 ? ? ? ? ? ? 39 GLU H CA 1 -ATOM 394 C C . GLU B 2 25 ? 13.035 -8.704 5.898 1.00 32.15 ? ? ? ? ? ? 39 GLU H C 1 -ATOM 395 O O . GLU B 2 25 ? 13.972 -7.900 5.781 1.00 30.37 ? ? ? ? ? ? 39 GLU H O 1 -ATOM 396 C CB . GLU B 2 25 ? 13.447 -11.049 5.207 1.00 37.70 ? ? ? ? ? ? 39 GLU H CB 1 -ATOM 397 C CG . GLU B 2 25 ? 14.956 -11.147 5.293 1.00 42.87 ? ? ? ? ? ? 39 GLU H CG 1 -ATOM 398 C CD . GLU B 2 25 ? 15.514 -12.507 5.569 1.00 48.14 ? ? ? ? ? ? 39 GLU H CD 1 -ATOM 399 O OE1 . GLU B 2 25 ? 14.690 -13.443 5.675 1.00 50.00 ? ? ? ? ? ? 39 GLU H OE1 1 -ATOM 400 O OE2 . GLU B 2 25 ? 16.712 -12.751 5.645 1.00 50.00 ? ? ? ? ? ? 39 GLU H OE2 1 -ATOM 401 N N . LEU B 2 26 ? 12.111 -8.792 6.838 1.00 30.57 ? ? ? ? ? ? 40 LEU H N 1 -ATOM 402 C CA . LEU B 2 26 ? 12.188 -7.859 7.969 1.00 29.13 ? ? ? ? ? ? 40 LEU H CA 1 -ATOM 403 C C . LEU B 2 26 ? 13.332 -8.389 8.864 1.00 29.71 ? ? ? ? ? ? 40 LEU H C 1 -ATOM 404 O O . LEU B 2 26 ? 13.295 -9.589 9.187 1.00 29.88 ? ? ? ? ? ? 40 LEU H O 1 -ATOM 405 C CB . LEU B 2 26 ? 10.857 -7.843 8.688 1.00 26.80 ? ? ? ? ? ? 40 LEU H CB 1 -ATOM 406 C CG . LEU B 2 26 ? 10.955 -7.485 10.170 1.00 28.52 ? ? ? ? ? ? 40 LEU H CG 1 -ATOM 407 C CD1 . LEU B 2 26 ? 11.108 -5.995 10.413 1.00 29.36 ? ? ? ? ? ? 40 LEU H CD1 1 -ATOM 408 C CD2 . LEU B 2 26 ? 9.793 -8.088 10.940 1.00 28.12 ? ? ? ? ? ? 40 LEU H CD2 1 -ATOM 409 N N . LEU B 2 27 ? 14.318 -7.547 9.151 1.00 28.75 ? ? ? ? ? ? 41 LEU H N 1 -ATOM 410 C CA . LEU B 2 27 ? 15.434 -7.946 10.037 1.00 26.25 ? ? ? ? ? ? 41 LEU H CA 1 -ATOM 411 C C . LEU B 2 27 ? 15.101 -7.684 11.507 1.00 25.73 ? ? ? ? ? ? 41 LEU H C 1 -ATOM 412 O O . LEU B 2 27 ? 15.315 -8.573 12.364 1.00 26.99 ? ? ? ? ? ? 41 LEU H O 1 -ATOM 413 C CB . LEU B 2 27 ? 16.656 -7.147 9.591 1.00 28.79 ? ? ? ? ? ? 41 LEU H CB 1 -ATOM 414 C CG . LEU B 2 27 ? 17.653 -7.903 8.764 1.00 33.93 ? ? ? ? ? ? 41 LEU H CG 1 -ATOM 415 C CD1 . LEU B 2 27 ? 17.043 -9.161 8.127 1.00 33.56 ? ? ? ? ? ? 41 LEU H CD1 1 -ATOM 416 C CD2 . LEU B 2 27 ? 18.228 -6.980 7.685 1.00 34.08 ? ? ? ? ? ? 41 LEU H CD2 1 -ATOM 417 N N . CYS B 2 28 ? 14.505 -6.556 11.854 1.00 22.26 ? ? ? ? ? ? 42 CYS H N 1 -ATOM 418 C CA . CYS B 2 28 ? 14.291 -6.157 13.258 1.00 19.84 ? ? ? ? ? ? 42 CYS H CA 1 -ATOM 419 C C . CYS B 2 28 ? 13.519 -4.833 13.217 1.00 18.48 ? ? ? ? ? ? 42 CYS H C 1 -ATOM 420 O O . CYS B 2 28 ? 13.524 -4.222 12.129 1.00 18.86 ? ? ? ? ? ? 42 CYS H O 1 -ATOM 421 C CB . CYS B 2 28 ? 15.710 -5.792 13.767 1.00 17.14 ? ? ? ? ? ? 42 CYS H CB 1 -ATOM 422 S SG . CYS B 2 28 ? 16.580 -7.094 14.674 1.00 18.77 ? ? ? ? ? ? 42 CYS H SG 1 -ATOM 423 N N . GLY B 2 29 ? 13.139 -4.424 14.418 1.00 17.48 ? ? ? ? ? ? 43 GLY H N 1 -ATOM 424 C CA . GLY B 2 29 ? 12.582 -3.058 14.648 1.00 15.52 ? ? ? ? ? ? 43 GLY H CA 1 -ATOM 425 C C . GLY B 2 29 ? 13.804 -2.153 14.920 1.00 16.79 ? ? ? ? ? ? 43 GLY H C 1 -ATOM 426 O O . GLY B 2 29 ? 14.965 -2.607 15.198 1.00 16.83 ? ? ? ? ? ? 43 GLY H O 1 -ATOM 427 N N . ALA B 2 30 ? 13.456 -0.897 15.122 1.00 15.56 ? ? ? ? ? ? 44 ALA H N 1 -ATOM 428 C CA . ALA B 2 30 ? 14.448 0.147 15.456 1.00 15.65 ? ? ? ? ? ? 44 ALA H CA 1 -ATOM 429 C C . ALA B 2 30 ? 13.648 1.393 15.828 1.00 15.49 ? ? ? ? ? ? 44 ALA H C 1 -ATOM 430 O O . ALA B 2 30 ? 12.389 1.273 15.712 1.00 16.57 ? ? ? ? ? ? 44 ALA H O 1 -ATOM 431 C CB . ALA B 2 30 ? 15.436 0.291 14.339 1.00 12.77 ? ? ? ? ? ? 44 ALA H CB 1 -ATOM 432 N N . SER B 2 31 ? 14.348 2.486 16.082 1.00 15.03 ? ? ? ? ? ? 45 SER H N 1 -ATOM 433 C CA . SER B 2 31 ? 13.691 3.747 16.425 1.00 16.24 ? ? ? ? ? ? 45 SER H CA 1 -ATOM 434 C C . SER B 2 31 ? 14.420 4.994 15.935 1.00 16.84 ? ? ? ? ? ? 45 SER H C 1 -ATOM 435 O O . SER B 2 31 ? 15.616 5.060 15.743 1.00 18.12 ? ? ? ? ? ? 45 SER H O 1 -ATOM 436 C CB . SER B 2 31 ? 13.272 3.925 17.881 1.00 18.08 ? ? ? ? ? ? 45 SER H CB 1 -ATOM 437 O OG . SER B 2 31 ? 14.529 4.146 18.543 1.00 24.46 ? ? ? ? ? ? 45 SER H OG 1 -ATOM 438 N N . LEU B 2 32 ? 13.628 6.034 15.630 1.00 16.51 ? ? ? ? ? ? 46 LEU H N 1 -ATOM 439 C CA . LEU B 2 32 ? 14.167 7.260 15.045 1.00 17.23 ? ? ? ? ? ? 46 LEU H CA 1 -ATOM 440 C C . LEU B 2 32 ? 14.341 8.260 16.174 1.00 16.52 ? ? ? ? ? ? 46 LEU H C 1 -ATOM 441 O O . LEU B 2 32 ? 13.321 8.621 16.798 1.00 16.69 ? ? ? ? ? ? 46 LEU H O 1 -ATOM 442 C CB . LEU B 2 32 ? 13.121 7.786 14.018 1.00 19.25 ? ? ? ? ? ? 46 LEU H CB 1 -ATOM 443 C CG . LEU B 2 32 ? 13.662 9.013 13.261 1.00 20.25 ? ? ? ? ? ? 46 LEU H CG 1 -ATOM 444 C CD1 . LEU B 2 32 ? 14.748 8.574 12.323 1.00 20.05 ? ? ? ? ? ? 46 LEU H CD1 1 -ATOM 445 C CD2 . LEU B 2 32 ? 12.536 9.729 12.494 1.00 21.48 ? ? ? ? ? ? 46 LEU H CD2 1 -ATOM 446 N N . ILE B 2 33 ? 15.586 8.638 16.492 1.00 17.90 ? ? ? ? ? ? 47 ILE H N 1 -ATOM 447 C CA . ILE B 2 33 ? 15.769 9.610 17.600 1.00 18.60 ? ? ? ? ? ? 47 ILE H CA 1 -ATOM 448 C C . ILE B 2 33 ? 16.187 10.986 17.050 1.00 21.47 ? ? ? ? ? ? 47 ILE H C 1 -ATOM 449 O O . ILE B 2 33 ? 16.057 11.952 17.788 1.00 21.59 ? ? ? ? ? ? 47 ILE H O 1 -ATOM 450 C CB . ILE B 2 33 ? 16.815 9.044 18.664 1.00 20.50 ? ? ? ? ? ? 47 ILE H CB 1 -ATOM 451 C CG1 . ILE B 2 33 ? 18.161 8.886 17.981 1.00 20.29 ? ? ? ? ? ? 47 ILE H CG1 1 -ATOM 452 C CG2 . ILE B 2 33 ? 16.224 7.705 19.240 1.00 18.48 ? ? ? ? ? ? 47 ILE H CG2 1 -ATOM 453 C CD1 . ILE B 2 33 ? 19.438 8.357 18.681 1.00 22.54 ? ? ? ? ? ? 47 ILE H CD1 1 -ATOM 454 N N . SER B 2 34 ? 16.476 11.080 15.763 1.00 22.71 ? ? ? ? ? ? 48 SER H N 1 -ATOM 455 C CA . SER B 2 34 ? 16.740 12.392 15.126 1.00 24.52 ? ? ? ? ? ? 48 SER H CA 1 -ATOM 456 C C . SER B 2 34 ? 16.489 12.224 13.626 1.00 25.99 ? ? ? ? ? ? 48 SER H C 1 -ATOM 457 O O . SER B 2 34 ? 16.110 11.102 13.199 1.00 25.53 ? ? ? ? ? ? 48 SER H O 1 -ATOM 458 C CB . SER B 2 34 ? 18.119 12.887 15.461 1.00 21.79 ? ? ? ? ? ? 48 SER H CB 1 -ATOM 459 O OG . SER B 2 34 ? 19.015 12.662 14.395 1.00 28.25 ? ? ? ? ? ? 48 SER H OG 1 -ATOM 460 N N . ASP B 2 35 ? 16.772 13.282 12.829 1.00 26.69 ? ? ? ? ? ? 49 ASP H N 1 -ATOM 461 C CA . ASP B 2 35 ? 16.527 13.124 11.377 1.00 27.60 ? ? ? ? ? ? 49 ASP H CA 1 -ATOM 462 C C . ASP B 2 35 ? 17.542 12.278 10.649 1.00 27.19 ? ? ? ? ? ? 49 ASP H C 1 -ATOM 463 O O . ASP B 2 35 ? 17.349 11.784 9.511 1.00 27.46 ? ? ? ? ? ? 49 ASP H O 1 -ATOM 464 C CB . ASP B 2 35 ? 16.364 14.542 10.786 1.00 33.35 ? ? ? ? ? ? 49 ASP H CB 1 -ATOM 465 C CG . ASP B 2 35 ? 17.664 15.282 10.895 1.00 33.02 ? ? ? ? ? ? 49 ASP H CG 1 -ATOM 466 O OD1 . ASP B 2 35 ? 18.370 15.035 11.894 1.00 41.99 ? ? ? ? ? ? 49 ASP H OD1 1 -ATOM 467 O OD2 . ASP B 2 35 ? 18.082 16.050 10.043 1.00 38.10 ? ? ? ? ? ? 49 ASP H OD2 1 -ATOM 468 N N . ARG B 2 36 ? 18.647 12.004 11.317 1.00 26.18 ? ? ? ? ? ? 50 ARG H N 1 -ATOM 469 C CA . ARG B 2 36 ? 19.777 11.240 10.786 1.00 25.40 ? ? ? ? ? ? 50 ARG H CA 1 -ATOM 470 C C . ARG B 2 36 ? 20.224 10.007 11.600 1.00 24.43 ? ? ? ? ? ? 50 ARG H C 1 -ATOM 471 O O . ARG B 2 36 ? 21.215 9.392 11.187 1.00 22.77 ? ? ? ? ? ? 50 ARG H O 1 -ATOM 472 C CB . ARG B 2 36 ? 20.987 12.216 11.008 1.00 31.65 ? ? ? ? ? ? 50 ARG H CB 1 -ATOM 473 C CG . ARG B 2 36 ? 21.553 12.767 9.727 1.00 38.26 ? ? ? ? ? ? 50 ARG H CG 1 -ATOM 474 C CD . ARG B 2 36 ? 22.011 11.655 8.821 1.00 42.32 ? ? ? ? ? ? 50 ARG H CD 1 -ATOM 475 N NE . ARG B 2 36 ? 22.960 12.237 7.877 1.00 46.40 ? ? ? ? ? ? 50 ARG H NE 1 -ATOM 476 C CZ . ARG B 2 36 ? 24.031 11.697 7.323 1.00 48.36 ? ? ? ? ? ? 50 ARG H CZ 1 -ATOM 477 N NH1 . ARG B 2 36 ? 24.428 10.440 7.495 1.00 50.00 ? ? ? ? ? ? 50 ARG H NH1 1 -ATOM 478 N NH2 . ARG B 2 36 ? 24.854 12.526 6.667 1.00 50.00 ? ? ? ? ? ? 50 ARG H NH2 1 -ATOM 479 N N . TRP B 2 37 ? 19.653 9.755 12.747 1.00 23.76 ? ? ? ? ? ? 51 TRP H N 1 -ATOM 480 C CA . TRP B 2 37 ? 20.099 8.648 13.643 1.00 21.81 ? ? ? ? ? ? 51 TRP H CA 1 -ATOM 481 C C . TRP B 2 37 ? 18.966 7.695 13.991 1.00 20.37 ? ? ? ? ? ? 51 TRP H C 1 -ATOM 482 O O . TRP B 2 37 ? 17.910 8.122 14.443 1.00 17.92 ? ? ? ? ? ? 51 TRP H O 1 -ATOM 483 C CB . TRP B 2 37 ? 20.728 9.196 14.941 1.00 22.04 ? ? ? ? ? ? 51 TRP H CB 1 -ATOM 484 C CG . TRP B 2 37 ? 22.075 9.800 14.769 1.00 24.98 ? ? ? ? ? ? 51 TRP H CG 1 -ATOM 485 C CD1 . TRP B 2 37 ? 22.259 11.161 14.555 1.00 26.73 ? ? ? ? ? ? 51 TRP H CD1 1 -ATOM 486 C CD2 . TRP B 2 37 ? 23.352 9.206 14.572 1.00 25.82 ? ? ? ? ? ? 51 TRP H CD2 1 -ATOM 487 N NE1 . TRP B 2 37 ? 23.566 11.402 14.232 1.00 26.90 ? ? ? ? ? ? 51 TRP H NE1 1 -ATOM 488 C CE2 . TRP B 2 37 ? 24.289 10.255 14.342 1.00 26.54 ? ? ? ? ? ? 51 TRP H CE2 1 -ATOM 489 C CE3 . TRP B 2 37 ? 23.831 7.906 14.693 1.00 26.67 ? ? ? ? ? ? 51 TRP H CE3 1 -ATOM 490 C CZ2 . TRP B 2 37 ? 25.669 10.080 14.278 1.00 26.08 ? ? ? ? ? ? 51 TRP H CZ2 1 -ATOM 491 C CZ3 . TRP B 2 37 ? 25.195 7.705 14.504 1.00 28.24 ? ? ? ? ? ? 51 TRP H CZ3 1 -ATOM 492 C CH2 . TRP B 2 37 ? 26.109 8.747 14.313 1.00 28.71 ? ? ? ? ? ? 51 TRP H CH2 1 -ATOM 493 N N . VAL B 2 38 ? 19.347 6.397 13.937 1.00 20.44 ? ? ? ? ? ? 52 VAL H N 1 -ATOM 494 C CA . VAL B 2 38 ? 18.437 5.304 14.254 1.00 20.42 ? ? ? ? ? ? 52 VAL H CA 1 -ATOM 495 C C . VAL B 2 38 ? 18.959 4.423 15.394 1.00 20.78 ? ? ? ? ? ? 52 VAL H C 1 -ATOM 496 O O . VAL B 2 38 ? 20.092 3.969 15.337 1.00 22.05 ? ? ? ? ? ? 52 VAL H O 1 -ATOM 497 C CB . VAL B 2 38 ? 18.152 4.484 12.954 1.00 20.35 ? ? ? ? ? ? 52 VAL H CB 1 -ATOM 498 C CG1 . VAL B 2 38 ? 17.338 3.237 13.308 1.00 20.36 ? ? ? ? ? ? 52 VAL H CG1 1 -ATOM 499 C CG2 . VAL B 2 38 ? 17.296 5.334 11.966 1.00 23.61 ? ? ? ? ? ? 52 VAL H CG2 1 -ATOM 500 N N . LEU B 2 39 ? 18.165 4.114 16.390 1.00 20.77 ? ? ? ? ? ? 53 LEU H N 1 -ATOM 501 C CA . LEU B 2 39 ? 18.652 3.279 17.532 1.00 19.40 ? ? ? ? ? ? 53 LEU H CA 1 -ATOM 502 C C . LEU B 2 39 ? 18.099 1.870 17.380 1.00 18.81 ? ? ? ? ? ? 53 LEU H C 1 -ATOM 503 O O . LEU B 2 39 ? 16.916 1.748 17.034 1.00 18.11 ? ? ? ? ? ? 53 LEU H O 1 -ATOM 504 C CB . LEU B 2 39 ? 18.117 3.957 18.785 1.00 17.99 ? ? ? ? ? ? 53 LEU H CB 1 -ATOM 505 C CG . LEU B 2 39 ? 18.586 3.372 20.118 1.00 20.69 ? ? ? ? ? ? 53 LEU H CG 1 -ATOM 506 C CD1 . LEU B 2 39 ? 20.099 3.486 20.228 1.00 17.27 ? ? ? ? ? ? 53 LEU H CD1 1 -ATOM 507 C CD2 . LEU B 2 39 ? 17.920 4.273 21.160 1.00 18.56 ? ? ? ? ? ? 53 LEU H CD2 1 -ATOM 508 N N . THR B 2 40 ? 18.911 0.867 17.681 1.00 17.28 ? ? ? ? ? ? 54 THR H N 1 -ATOM 509 C CA . THR B 2 40 ? 18.416 -0.522 17.625 1.00 17.59 ? ? ? ? ? ? 54 THR H CA 1 -ATOM 510 C C . THR B 2 40 ? 19.298 -1.366 18.550 1.00 18.16 ? ? ? ? ? ? 54 THR H C 1 -ATOM 511 O O . THR B 2 40 ? 20.161 -0.795 19.243 1.00 17.74 ? ? ? ? ? ? 54 THR H O 1 -ATOM 512 C CB . THR B 2 40 ? 18.533 -1.028 16.116 1.00 17.17 ? ? ? ? ? ? 54 THR H CB 1 -ATOM 513 O OG1 . THR B 2 40 ? 17.676 -2.192 16.012 1.00 17.60 ? ? ? ? ? ? 54 THR H OG1 1 -ATOM 514 C CG2 . THR B 2 40 ? 19.921 -1.292 15.540 1.00 20.69 ? ? ? ? ? ? 54 THR H CG2 1 -ATOM 515 N N . ALA B 2 41 ? 19.031 -2.626 18.564 1.00 18.32 ? ? ? ? ? ? 55 ALA H N 1 -ATOM 516 C CA . ALA B 2 41 ? 19.768 -3.647 19.363 1.00 17.96 ? ? ? ? ? ? 55 ALA H CA 1 -ATOM 517 C C . ALA B 2 41 ? 20.908 -4.155 18.569 1.00 18.13 ? ? ? ? ? ? 55 ALA H C 1 -ATOM 518 O O . ALA B 2 41 ? 20.924 -4.325 17.307 1.00 18.81 ? ? ? ? ? ? 55 ALA H O 1 -ATOM 519 C CB . ALA B 2 41 ? 18.765 -4.711 19.828 1.00 16.64 ? ? ? ? ? ? 55 ALA H CB 1 -ATOM 520 N N . ALA B 2 42 ? 22.089 -4.174 19.248 1.00 18.21 ? ? ? ? ? ? 56 ALA H N 1 -ATOM 521 C CA . ALA B 2 42 ? 23.286 -4.708 18.542 1.00 17.97 ? ? ? ? ? ? 56 ALA H CA 1 -ATOM 522 C C . ALA B 2 42 ? 23.073 -6.114 17.980 1.00 15.89 ? ? ? ? ? ? 56 ALA H C 1 -ATOM 523 O O . ALA B 2 42 ? 23.730 -6.521 16.979 1.00 17.41 ? ? ? ? ? ? 56 ALA H O 1 -ATOM 524 C CB . ALA B 2 42 ? 24.521 -4.631 19.483 1.00 19.87 ? ? ? ? ? ? 56 ALA H CB 1 -ATOM 525 N N . HIS B 2 43 ? 22.315 -6.938 18.666 1.00 16.60 ? ? ? ? ? ? 57 HIS H N 1 -ATOM 526 C CA . HIS B 2 43 ? 22.144 -8.330 18.204 1.00 18.56 ? ? ? ? ? ? 57 HIS H CA 1 -ATOM 527 C C . HIS B 2 43 ? 21.362 -8.452 16.877 1.00 20.21 ? ? ? ? ? ? 57 HIS H C 1 -ATOM 528 O O . HIS B 2 43 ? 21.313 -9.544 16.287 1.00 19.81 ? ? ? ? ? ? 57 HIS H O 1 -ATOM 529 C CB . HIS B 2 43 ? 21.493 -9.273 19.243 1.00 16.75 ? ? ? ? ? ? 57 HIS H CB 1 -ATOM 530 C CG . HIS B 2 43 ? 20.015 -9.106 19.397 1.00 19.81 ? ? ? ? ? ? 57 HIS H CG 1 -ATOM 531 N ND1 . HIS B 2 43 ? 19.370 -8.408 20.380 1.00 15.09 ? ? ? ? ? ? 57 HIS H ND1 1 -ATOM 532 C CD2 . HIS B 2 43 ? 19.013 -9.566 18.543 1.00 18.23 ? ? ? ? ? ? 57 HIS H CD2 1 -ATOM 533 C CE1 . HIS B 2 43 ? 18.046 -8.488 20.194 1.00 20.84 ? ? ? ? ? ? 57 HIS H CE1 1 -ATOM 534 N NE2 . HIS B 2 43 ? 17.829 -9.193 19.088 1.00 20.06 ? ? ? ? ? ? 57 HIS H NE2 1 -ATOM 535 N N . CYS B 2 44 ? 20.778 -7.339 16.446 1.00 21.35 ? ? ? ? ? ? 58 CYS H N 1 -ATOM 536 C CA . CYS B 2 44 ? 20.070 -7.265 15.140 1.00 22.36 ? ? ? ? ? ? 58 CYS H CA 1 -ATOM 537 C C . CYS B 2 44 ? 21.086 -7.265 14.022 1.00 23.91 ? ? ? ? ? ? 58 CYS H C 1 -ATOM 538 O O . CYS B 2 44 ? 20.880 -7.806 12.925 1.00 24.88 ? ? ? ? ? ? 58 CYS H O 1 -ATOM 539 C CB . CYS B 2 44 ? 19.285 -5.933 15.067 1.00 18.43 ? ? ? ? ? ? 58 CYS H CB 1 -ATOM 540 S SG . CYS B 2 44 ? 17.769 -6.025 15.970 1.00 18.50 ? ? ? ? ? ? 58 CYS H SG 1 -ATOM 541 N N . LEU B 2 45 ? 22.256 -6.710 14.378 1.00 23.34 ? ? ? ? ? ? 59 LEU H N 1 -ATOM 542 C CA . LEU B 2 45 ? 23.373 -6.606 13.470 1.00 23.36 ? ? ? ? ? ? 59 LEU H CA 1 -ATOM 543 C C . LEU B 2 45 ? 24.450 -7.659 13.605 1.00 23.14 ? ? ? ? ? ? 59 LEU H C 1 -ATOM 544 O O . LEU B 2 45 ? 24.970 -8.111 12.592 1.00 23.61 ? ? ? ? ? ? 59 LEU H O 1 -ATOM 545 C CB . LEU B 2 45 ? 23.945 -5.184 13.669 1.00 25.81 ? ? ? ? ? ? 59 LEU H CB 1 -ATOM 546 C CG . LEU B 2 45 ? 23.448 -4.065 12.795 1.00 29.28 ? ? ? ? ? ? 59 LEU H CG 1 -ATOM 547 C CD1 . LEU B 2 45 ? 22.057 -4.292 12.163 1.00 30.50 ? ? ? ? ? ? 59 LEU H CD1 1 -ATOM 548 C CD2 . LEU B 2 45 ? 23.441 -2.793 13.625 1.00 30.55 ? ? ? ? ? ? 59 LEU H CD2 1 -ATOM 549 N N . LEU B 2 46 ? 24.813 -7.994 14.824 1.00 23.49 ? ? ? ? ? ? 60 LEU H N 1 -ATOM 550 C CA . LEU B 2 46 ? 25.975 -8.856 15.112 1.00 22.56 ? ? ? ? ? ? 60 LEU H CA 1 -ATOM 551 C C . LEU B 2 46 ? 25.640 -9.878 16.168 1.00 22.70 ? ? ? ? ? ? 60 LEU H C 1 -ATOM 552 O O . LEU B 2 46 ? 25.215 -9.545 17.305 1.00 23.26 ? ? ? ? ? ? 60 LEU H O 1 -ATOM 553 C CB . LEU B 2 46 ? 27.153 -7.935 15.495 1.00 25.32 ? ? ? ? ? ? 60 LEU H CB 1 -ATOM 554 C CG . LEU B 2 46 ? 28.434 -8.664 15.934 1.00 26.29 ? ? ? ? ? ? 60 LEU H CG 1 -ATOM 555 C CD1 . LEU B 2 46 ? 29.183 -9.208 14.715 1.00 26.53 ? ? ? ? ? ? 60 LEU H CD1 1 -ATOM 556 C CD2 . LEU B 2 46 ? 29.315 -7.743 16.758 1.00 25.15 ? ? ? ? ? ? 60 LEU H CD2 1 -ATOM 557 N N . TYR B 2 47 A 25.730 -11.125 15.721 1.00 22.81 ? ? ? ? ? ? 60 TYR H N 1 -ATOM 558 C CA . TYR B 2 47 A 25.442 -12.288 16.592 1.00 23.06 ? ? ? ? ? ? 60 TYR H CA 1 -ATOM 559 C C . TYR B 2 47 A 26.225 -13.484 16.018 1.00 23.11 ? ? ? ? ? ? 60 TYR H C 1 -ATOM 560 O O . TYR B 2 47 A 25.687 -14.404 15.423 1.00 22.30 ? ? ? ? ? ? 60 TYR H O 1 -ATOM 561 C CB . TYR B 2 47 A 23.957 -12.567 16.769 1.00 24.44 ? ? ? ? ? ? 60 TYR H CB 1 -ATOM 562 C CG . TYR B 2 47 A 23.671 -13.512 17.908 1.00 26.24 ? ? ? ? ? ? 60 TYR H CG 1 -ATOM 563 C CD1 . TYR B 2 47 A 24.119 -13.113 19.175 1.00 26.53 ? ? ? ? ? ? 60 TYR H CD1 1 -ATOM 564 C CD2 . TYR B 2 47 A 23.162 -14.810 17.753 1.00 24.85 ? ? ? ? ? ? 60 TYR H CD2 1 -ATOM 565 C CE1 . TYR B 2 47 A 23.930 -13.964 20.276 1.00 27.61 ? ? ? ? ? ? 60 TYR H CE1 1 -ATOM 566 C CE2 . TYR B 2 47 A 23.010 -15.665 18.840 1.00 27.80 ? ? ? ? ? ? 60 TYR H CE2 1 -ATOM 567 C CZ . TYR B 2 47 A 23.436 -15.248 20.105 1.00 28.70 ? ? ? ? ? ? 60 TYR H CZ 1 -ATOM 568 O OH . TYR B 2 47 A 23.374 -16.099 21.170 1.00 28.28 ? ? ? ? ? ? 60 TYR H OH 1 -ATOM 569 N N . PRO B 2 48 B 27.528 -13.485 16.360 1.00 23.70 ? ? ? ? ? ? 60 PRO H N 1 -ATOM 570 C CA . PRO B 2 48 B 28.442 -14.512 15.839 1.00 24.70 ? ? ? ? ? ? 60 PRO H CA 1 -ATOM 571 C C . PRO B 2 48 B 28.050 -15.960 15.962 1.00 24.74 ? ? ? ? ? ? 60 PRO H C 1 -ATOM 572 O O . PRO B 2 48 B 28.264 -16.795 15.042 1.00 26.22 ? ? ? ? ? ? 60 PRO H O 1 -ATOM 573 C CB . PRO B 2 48 B 29.840 -14.073 16.355 1.00 24.94 ? ? ? ? ? ? 60 PRO H CB 1 -ATOM 574 C CG . PRO B 2 48 B 29.695 -12.664 16.861 1.00 24.13 ? ? ? ? ? ? 60 PRO H CG 1 -ATOM 575 C CD . PRO B 2 48 B 28.211 -12.401 17.075 1.00 22.89 ? ? ? ? ? ? 60 PRO H CD 1 -ATOM 576 N N . PRO B 2 49 C 27.460 -16.362 17.067 1.00 25.13 ? ? ? ? ? ? 60 PRO H N 1 -ATOM 577 C CA . PRO B 2 49 C 27.035 -17.727 17.278 1.00 26.17 ? ? ? ? ? ? 60 PRO H CA 1 -ATOM 578 C C . PRO B 2 49 C 26.123 -18.224 16.162 1.00 28.45 ? ? ? ? ? ? 60 PRO H C 1 -ATOM 579 O O . PRO B 2 49 C 26.083 -19.457 15.983 1.00 29.25 ? ? ? ? ? ? 60 PRO H O 1 -ATOM 580 C CB . PRO B 2 49 C 26.419 -17.763 18.662 1.00 25.01 ? ? ? ? ? ? 60 PRO H CB 1 -ATOM 581 C CG . PRO B 2 49 C 26.728 -16.458 19.322 1.00 25.19 ? ? ? ? ? ? 60 PRO H CG 1 -ATOM 582 C CD . PRO B 2 49 C 27.226 -15.518 18.269 1.00 25.01 ? ? ? ? ? ? 60 PRO H CD 1 -ATOM 583 N N . TRP B 2 50 D 25.302 -17.341 15.619 1.00 28.18 ? ? ? ? ? ? 60 TRP H N 1 -ATOM 584 C CA . TRP B 2 50 D 24.366 -17.711 14.547 1.00 28.91 ? ? ? ? ? ? 60 TRP H CA 1 -ATOM 585 C C . TRP B 2 50 D 24.984 -17.261 13.237 1.00 30.56 ? ? ? ? ? ? 60 TRP H C 1 -ATOM 586 O O . TRP B 2 50 D 24.276 -17.107 12.217 1.00 32.58 ? ? ? ? ? ? 60 TRP H O 1 -ATOM 587 C CB . TRP B 2 50 D 22.987 -17.183 14.832 1.00 26.50 ? ? ? ? ? ? 60 TRP H CB 1 -ATOM 588 C CG . TRP B 2 50 D 22.135 -17.817 15.872 1.00 28.04 ? ? ? ? ? ? 60 TRP H CG 1 -ATOM 589 C CD1 . TRP B 2 50 D 22.432 -18.771 16.801 1.00 27.06 ? ? ? ? ? ? 60 TRP H CD1 1 -ATOM 590 C CD2 . TRP B 2 50 D 20.729 -17.510 16.123 1.00 29.74 ? ? ? ? ? ? 60 TRP H CD2 1 -ATOM 591 N NE1 . TRP B 2 50 D 21.366 -19.041 17.645 1.00 29.84 ? ? ? ? ? ? 60 TRP H NE1 1 -ATOM 592 C CE2 . TRP B 2 50 D 20.293 -18.305 17.205 1.00 29.57 ? ? ? ? ? ? 60 TRP H CE2 1 -ATOM 593 C CE3 . TRP B 2 50 D 19.849 -16.609 15.538 1.00 31.67 ? ? ? ? ? ? 60 TRP H CE3 1 -ATOM 594 C CZ2 . TRP B 2 50 D 18.995 -18.306 17.675 1.00 31.38 ? ? ? ? ? ? 60 TRP H CZ2 1 -ATOM 595 C CZ3 . TRP B 2 50 D 18.548 -16.606 16.010 1.00 34.11 ? ? ? ? ? ? 60 TRP H CZ3 1 -ATOM 596 C CH2 . TRP B 2 50 D 18.118 -17.417 17.071 1.00 32.21 ? ? ? ? ? ? 60 TRP H CH2 1 -ATOM 597 N N . ASP B 2 51 E 26.250 -16.881 13.220 1.00 30.12 ? ? ? ? ? ? 60 ASP H N 1 -ATOM 598 C CA . ASP B 2 51 E 26.839 -16.417 11.977 1.00 30.71 ? ? ? ? ? ? 60 ASP H CA 1 -ATOM 599 C C . ASP B 2 51 E 26.234 -15.139 11.401 1.00 29.45 ? ? ? ? ? ? 60 ASP H C 1 -ATOM 600 O O . ASP B 2 51 E 26.414 -14.928 10.191 1.00 29.25 ? ? ? ? ? ? 60 ASP H O 1 -ATOM 601 C CB . ASP B 2 51 E 26.837 -17.590 10.979 1.00 36.21 ? ? ? ? ? ? 60 ASP H CB 1 -ATOM 602 C CG . ASP B 2 51 E 27.876 -18.632 11.392 1.00 41.03 ? ? ? ? ? ? 60 ASP H CG 1 -ATOM 603 O OD1 . ASP B 2 51 E 29.081 -18.327 11.200 1.00 42.45 ? ? ? ? ? ? 60 ASP H OD1 1 -ATOM 604 O OD2 . ASP B 2 51 E 27.512 -19.688 11.944 1.00 45.64 ? ? ? ? ? ? 60 ASP H OD2 1 -ATOM 605 N N . LYS B 2 52 F 25.735 -14.238 12.187 1.00 28.77 ? ? ? ? ? ? 60 LYS H N 1 -ATOM 606 C CA . LYS B 2 52 F 25.215 -12.920 11.783 1.00 28.80 ? ? ? ? ? ? 60 LYS H CA 1 -ATOM 607 C C . LYS B 2 52 F 26.223 -11.798 12.006 1.00 29.74 ? ? ? ? ? ? 60 LYS H C 1 -ATOM 608 O O . LYS B 2 52 F 26.730 -11.602 13.135 1.00 28.72 ? ? ? ? ? ? 60 LYS H O 1 -ATOM 609 C CB . LYS B 2 52 F 23.937 -12.618 12.497 1.00 30.64 ? ? ? ? ? ? 60 LYS H CB 1 -ATOM 610 C CG . LYS B 2 52 F 23.015 -11.397 12.444 1.00 31.59 ? ? ? ? ? ? 60 LYS H CG 1 -ATOM 611 C CD . LYS B 2 52 F 21.796 -11.779 13.326 1.00 31.47 ? ? ? ? ? ? 60 LYS H CD 1 -ATOM 612 C CE . LYS B 2 52 F 20.754 -10.743 13.523 1.00 29.40 ? ? ? ? ? ? 60 LYS H CE 1 -ATOM 613 N NZ . LYS B 2 52 F 19.715 -11.194 14.500 1.00 30.69 ? ? ? ? ? ? 60 LYS H NZ 1 -ATOM 614 N N . ASN B 2 53 G 26.375 -11.009 10.954 1.00 29.68 ? ? ? ? ? ? 60 ASN H N 1 -ATOM 615 C CA . ASN B 2 53 G 27.208 -9.794 10.945 1.00 31.34 ? ? ? ? ? ? 60 ASN H CA 1 -ATOM 616 C C . ASN B 2 53 G 26.774 -8.904 9.767 1.00 31.10 ? ? ? ? ? ? 60 ASN H C 1 -ATOM 617 O O . ASN B 2 53 G 27.375 -9.017 8.684 1.00 31.32 ? ? ? ? ? ? 60 ASN H O 1 -ATOM 618 C CB . ASN B 2 53 G 28.697 -10.124 10.958 1.00 35.48 ? ? ? ? ? ? 60 ASN H CB 1 -ATOM 619 C CG . ASN B 2 53 G 29.670 -8.970 11.047 1.00 40.04 ? ? ? ? ? ? 60 ASN H CG 1 -ATOM 620 O OD1 . ASN B 2 53 G 29.330 -7.772 11.151 1.00 42.99 ? ? ? ? ? ? 60 ASN H OD1 1 -ATOM 621 N ND2 . ASN B 2 53 G 30.969 -9.302 11.075 1.00 41.20 ? ? ? ? ? ? 60 ASN H ND2 1 -ATOM 622 N N . PHE B 2 54 H 25.750 -8.102 9.908 1.00 30.41 ? ? ? ? ? ? 60 PHE H N 1 -ATOM 623 C CA . PHE B 2 54 H 25.327 -7.204 8.819 1.00 31.24 ? ? ? ? ? ? 60 PHE H CA 1 -ATOM 624 C C . PHE B 2 54 H 26.182 -5.942 8.807 1.00 32.13 ? ? ? ? ? ? 60 PHE H C 1 -ATOM 625 O O . PHE B 2 54 H 26.624 -5.470 9.842 1.00 31.75 ? ? ? ? ? ? 60 PHE H O 1 -ATOM 626 C CB . PHE B 2 54 H 23.878 -6.791 8.980 1.00 29.82 ? ? ? ? ? ? 60 PHE H CB 1 -ATOM 627 C CG . PHE B 2 54 H 23.046 -8.032 8.898 1.00 27.00 ? ? ? ? ? ? 60 PHE H CG 1 -ATOM 628 C CD1 . PHE B 2 54 H 23.009 -8.701 7.682 1.00 29.85 ? ? ? ? ? ? 60 PHE H CD1 1 -ATOM 629 C CD2 . PHE B 2 54 H 22.252 -8.455 9.944 1.00 29.91 ? ? ? ? ? ? 60 PHE H CD2 1 -ATOM 630 C CE1 . PHE B 2 54 H 22.260 -9.851 7.508 1.00 26.47 ? ? ? ? ? ? 60 PHE H CE1 1 -ATOM 631 C CE2 . PHE B 2 54 H 21.425 -9.580 9.782 1.00 27.49 ? ? ? ? ? ? 60 PHE H CE2 1 -ATOM 632 C CZ . PHE B 2 54 H 21.510 -10.282 8.587 1.00 27.50 ? ? ? ? ? ? 60 PHE H CZ 1 -ATOM 633 N N . THR B 2 55 I 26.422 -5.481 7.600 1.00 33.09 ? ? ? ? ? ? 60 THR H N 1 -ATOM 634 C CA . THR B 2 55 I 27.134 -4.259 7.259 1.00 33.54 ? ? ? ? ? ? 60 THR H CA 1 -ATOM 635 C C . THR B 2 55 I 26.083 -3.342 6.593 1.00 33.20 ? ? ? ? ? ? 60 THR H C 1 -ATOM 636 O O . THR B 2 55 I 24.943 -3.754 6.370 1.00 32.72 ? ? ? ? ? ? 60 THR H O 1 -ATOM 637 C CB . THR B 2 55 I 28.379 -4.471 6.330 1.00 37.20 ? ? ? ? ? ? 60 THR H CB 1 -ATOM 638 O OG1 . THR B 2 55 I 27.966 -4.542 4.918 1.00 40.39 ? ? ? ? ? ? 60 THR H OG1 1 -ATOM 639 C CG2 . THR B 2 55 I 29.221 -5.679 6.765 1.00 37.68 ? ? ? ? ? ? 60 THR H CG2 1 -ATOM 640 N N . GLU B 2 56 ? 26.507 -2.118 6.521 1.00 33.93 ? ? ? ? ? ? 61 GLU H N 1 -ATOM 641 C CA . GLU B 2 56 ? 25.803 -0.969 5.974 1.00 35.50 ? ? ? ? ? ? 61 GLU H CA 1 -ATOM 642 C C . GLU B 2 56 ? 25.140 -1.305 4.650 1.00 36.11 ? ? ? ? ? ? 61 GLU H C 1 -ATOM 643 O O . GLU B 2 56 ? 23.920 -1.088 4.476 1.00 37.83 ? ? ? ? ? ? 61 GLU H O 1 -ATOM 644 C CB . GLU B 2 56 ? 26.757 0.223 5.769 1.00 35.54 ? ? ? ? ? ? 61 GLU H CB 1 -ATOM 645 C CG . GLU B 2 56 ? 27.260 0.931 7.034 1.00 37.21 ? ? ? ? ? ? 61 GLU H CG 1 -ATOM 646 C CD . GLU B 2 56 ? 28.422 0.253 7.739 1.00 39.56 ? ? ? ? ? ? 61 GLU H CD 1 -ATOM 647 O OE1 . GLU B 2 56 ? 29.037 -0.707 7.273 1.00 39.97 ? ? ? ? ? ? 61 GLU H OE1 1 -ATOM 648 O OE2 . GLU B 2 56 ? 28.769 0.781 8.817 1.00 38.18 ? ? ? ? ? ? 61 GLU H OE2 1 -ATOM 649 N N . ASN B 2 57 ? 25.858 -1.965 3.778 1.00 35.94 ? ? ? ? ? ? 62 ASN H N 1 -ATOM 650 C CA . ASN B 2 57 ? 25.421 -2.322 2.416 1.00 35.36 ? ? ? ? ? ? 62 ASN H CA 1 -ATOM 651 C C . ASN B 2 57 ? 24.325 -3.383 2.418 1.00 34.34 ? ? ? ? ? ? 62 ASN H C 1 -ATOM 652 O O . ASN B 2 57 ? 23.711 -3.630 1.357 1.00 33.36 ? ? ? ? ? ? 62 ASN H O 1 -ATOM 653 N N . ASP B 2 58 ? 24.182 -4.072 3.531 1.00 32.97 ? ? ? ? ? ? 63 ASP H N 1 -ATOM 654 C CA . ASP B 2 58 ? 23.244 -5.188 3.610 1.00 32.06 ? ? ? ? ? ? 63 ASP H CA 1 -ATOM 655 C C . ASP B 2 58 ? 21.809 -4.756 3.803 1.00 31.25 ? ? ? ? ? ? 63 ASP H C 1 -ATOM 656 O O . ASP B 2 58 ? 20.924 -5.632 3.654 1.00 32.12 ? ? ? ? ? ? 63 ASP H O 1 -ATOM 657 C CB . ASP B 2 58 ? 23.626 -6.138 4.757 1.00 37.89 ? ? ? ? ? ? 63 ASP H CB 1 -ATOM 658 C CG . ASP B 2 58 ? 24.933 -6.852 4.490 1.00 43.16 ? ? ? ? ? ? 63 ASP H CG 1 -ATOM 659 O OD1 . ASP B 2 58 ? 25.040 -7.325 3.330 1.00 45.23 ? ? ? ? ? ? 63 ASP H OD1 1 -ATOM 660 O OD2 . ASP B 2 58 ? 25.838 -6.932 5.330 1.00 44.80 ? ? ? ? ? ? 63 ASP H OD2 1 -ATOM 661 N N . LEU B 2 59 ? 21.623 -3.569 4.324 1.00 29.76 ? ? ? ? ? ? 64 LEU H N 1 -ATOM 662 C CA . LEU B 2 59 ? 20.300 -3.168 4.791 1.00 29.52 ? ? ? ? ? ? 64 LEU H CA 1 -ATOM 663 C C . LEU B 2 59 ? 19.758 -1.845 4.244 1.00 28.52 ? ? ? ? ? ? 64 LEU H C 1 -ATOM 664 O O . LEU B 2 59 ? 20.521 -0.981 3.826 1.00 29.88 ? ? ? ? ? ? 64 LEU H O 1 -ATOM 665 C CB . LEU B 2 59 ? 20.427 -2.884 6.332 1.00 32.89 ? ? ? ? ? ? 64 LEU H CB 1 -ATOM 666 C CG . LEU B 2 59 ? 21.413 -3.710 7.114 1.00 34.43 ? ? ? ? ? ? 64 LEU H CG 1 -ATOM 667 C CD1 . LEU B 2 59 ? 22.074 -3.071 8.316 1.00 34.52 ? ? ? ? ? ? 64 LEU H CD1 1 -ATOM 668 C CD2 . LEU B 2 59 ? 20.528 -4.901 7.510 1.00 37.48 ? ? ? ? ? ? 64 LEU H CD2 1 -ATOM 669 N N . LEU B 2 60 ? 18.483 -1.746 4.574 1.00 27.32 ? ? ? ? ? ? 65 LEU H N 1 -ATOM 670 C CA . LEU B 2 60 ? 17.723 -0.524 4.375 1.00 27.73 ? ? ? ? ? ? 65 LEU H CA 1 -ATOM 671 C C . LEU B 2 60 ? 16.924 -0.292 5.679 1.00 25.71 ? ? ? ? ? ? 65 LEU H C 1 -ATOM 672 O O . LEU B 2 60 ? 16.450 -1.198 6.301 1.00 26.16 ? ? ? ? ? ? 65 LEU H O 1 -ATOM 673 C CB . LEU B 2 60 ? 16.789 -0.620 3.171 1.00 29.77 ? ? ? ? ? ? 65 LEU H CB 1 -ATOM 674 C CG . LEU B 2 60 ? 17.474 -0.845 1.813 1.00 32.95 ? ? ? ? ? ? 65 LEU H CG 1 -ATOM 675 C CD1 . LEU B 2 60 ? 16.380 -1.069 0.769 1.00 31.45 ? ? ? ? ? ? 65 LEU H CD1 1 -ATOM 676 C CD2 . LEU B 2 60 ? 18.327 0.363 1.477 1.00 32.80 ? ? ? ? ? ? 65 LEU H CD2 1 -ATOM 677 N N . VAL B 2 61 ? 16.679 0.962 5.926 1.00 24.84 ? ? ? ? ? ? 66 VAL H N 1 -ATOM 678 C CA . VAL B 2 61 ? 15.820 1.499 6.967 1.00 24.29 ? ? ? ? ? ? 66 VAL H CA 1 -ATOM 679 C C . VAL B 2 61 ? 14.517 1.957 6.235 1.00 23.02 ? ? ? ? ? ? 66 VAL H C 1 -ATOM 680 O O . VAL B 2 61 ? 14.595 2.801 5.328 1.00 24.76 ? ? ? ? ? ? 66 VAL H O 1 -ATOM 681 C CB . VAL B 2 61 ? 16.669 2.607 7.642 1.00 24.40 ? ? ? ? ? ? 66 VAL H CB 1 -ATOM 682 C CG1 . VAL B 2 61 ? 15.866 3.722 8.227 1.00 22.27 ? ? ? ? ? ? 66 VAL H CG1 1 -ATOM 683 C CG2 . VAL B 2 61 ? 17.570 1.890 8.693 1.00 25.13 ? ? ? ? ? ? 66 VAL H CG2 1 -ATOM 684 N N . ARG B 2 62 ? 13.392 1.489 6.648 1.00 20.88 ? ? ? ? ? ? 67 ARG H N 1 -ATOM 685 C CA . ARG B 2 62 ? 12.056 1.861 6.218 1.00 19.86 ? ? ? ? ? ? 67 ARG H CA 1 -ATOM 686 C C . ARG B 2 62 ? 11.359 2.548 7.377 1.00 19.78 ? ? ? ? ? ? 67 ARG H C 1 -ATOM 687 O O . ARG B 2 62 ? 10.957 1.951 8.411 1.00 20.15 ? ? ? ? ? ? 67 ARG H O 1 -ATOM 688 C CB . ARG B 2 62 ? 11.378 0.642 5.632 1.00 20.97 ? ? ? ? ? ? 67 ARG H CB 1 -ATOM 689 C CG . ARG B 2 62 ? 12.231 -0.030 4.498 1.00 18.28 ? ? ? ? ? ? 67 ARG H CG 1 -ATOM 690 C CD . ARG B 2 62 ? 11.430 -1.234 4.174 1.00 20.43 ? ? ? ? ? ? 67 ARG H CD 1 -ATOM 691 N NE . ARG B 2 62 ? 10.179 -0.900 3.491 1.00 24.08 ? ? ? ? ? ? 67 ARG H NE 1 -ATOM 692 C CZ . ARG B 2 62 ? 9.442 -1.770 2.793 1.00 23.49 ? ? ? ? ? ? 67 ARG H CZ 1 -ATOM 693 N NH1 . ARG B 2 62 ? 9.818 -3.052 2.677 1.00 25.98 ? ? ? ? ? ? 67 ARG H NH1 1 -ATOM 694 N NH2 . ARG B 2 62 ? 8.267 -1.395 2.243 1.00 21.69 ? ? ? ? ? ? 67 ARG H NH2 1 -ATOM 695 N N . ILE B 2 63 ? 11.055 3.829 7.175 1.00 19.41 ? ? ? ? ? ? 68 ILE H N 1 -ATOM 696 C CA . ILE B 2 63 ? 10.418 4.704 8.160 1.00 20.28 ? ? ? ? ? ? 68 ILE H CA 1 -ATOM 697 C C . ILE B 2 63 ? 9.016 5.151 7.785 1.00 19.80 ? ? ? ? ? ? 68 ILE H C 1 -ATOM 698 O O . ILE B 2 63 ? 8.764 5.375 6.583 1.00 20.05 ? ? ? ? ? ? 68 ILE H O 1 -ATOM 699 C CB . ILE B 2 63 ? 11.336 5.985 8.378 1.00 21.74 ? ? ? ? ? ? 68 ILE H CB 1 -ATOM 700 C CG1 . ILE B 2 63 ? 12.812 5.519 8.354 1.00 23.60 ? ? ? ? ? ? 68 ILE H CG1 1 -ATOM 701 C CG2 . ILE B 2 63 ? 11.013 6.761 9.685 1.00 22.99 ? ? ? ? ? ? 68 ILE H CG2 1 -ATOM 702 C CD1 . ILE B 2 63 ? 13.828 6.639 8.737 1.00 25.40 ? ? ? ? ? ? 68 ILE H CD1 1 -ATOM 703 N N . GLY B 2 64 ? 8.149 5.308 8.722 1.00 18.68 ? ? ? ? ? ? 69 GLY H N 1 -ATOM 704 C CA . GLY B 2 64 ? 6.797 5.790 8.492 1.00 19.76 ? ? ? ? ? ? 69 GLY H CA 1 -ATOM 705 C C . GLY B 2 64 ? 5.827 4.682 8.101 1.00 19.52 ? ? ? ? ? ? 69 GLY H C 1 -ATOM 706 O O . GLY B 2 64 ? 4.733 4.997 7.635 1.00 18.00 ? ? ? ? ? ? 69 GLY H O 1 -ATOM 707 N N . LYS B 2 65 ? 6.236 3.417 8.285 1.00 20.02 ? ? ? ? ? ? 70 LYS H N 1 -ATOM 708 C CA . LYS B 2 65 ? 5.338 2.305 7.952 1.00 19.58 ? ? ? ? ? ? 70 LYS H CA 1 -ATOM 709 C C . LYS B 2 65 ? 4.249 1.934 8.921 1.00 20.42 ? ? ? ? ? ? 70 LYS H C 1 -ATOM 710 O O . LYS B 2 65 ? 4.225 2.102 10.167 1.00 20.56 ? ? ? ? ? ? 70 LYS H O 1 -ATOM 711 C CB . LYS B 2 65 ? 6.122 0.997 7.661 1.00 19.78 ? ? ? ? ? ? 70 LYS H CB 1 -ATOM 712 C CG . LYS B 2 65 ? 7.130 1.039 6.545 1.00 18.66 ? ? ? ? ? ? 70 LYS H CG 1 -ATOM 713 C CD . LYS B 2 65 ? 7.613 -0.364 6.180 1.00 19.51 ? ? ? ? ? ? 70 LYS H CD 1 -ATOM 714 C CE . LYS B 2 65 ? 6.434 -1.303 5.913 1.00 20.17 ? ? ? ? ? ? 70 LYS H CE 1 -ATOM 715 N NZ . LYS B 2 65 ? 5.789 -0.835 4.612 1.00 18.62 ? ? ? ? ? ? 70 LYS H NZ 1 -ATOM 716 N N . HIS B 2 66 ? 3.300 1.177 8.341 1.00 20.41 ? ? ? ? ? ? 71 HIS H N 1 -ATOM 717 C CA . HIS B 2 66 ? 2.136 0.681 9.103 1.00 19.68 ? ? ? ? ? ? 71 HIS H CA 1 -ATOM 718 C C . HIS B 2 66 ? 1.947 -0.767 8.759 1.00 21.04 ? ? ? ? ? ? 71 HIS H C 1 -ATOM 719 O O . HIS B 2 66 ? 2.071 -1.728 9.537 1.00 21.70 ? ? ? ? ? ? 71 HIS H O 1 -ATOM 720 C CB . HIS B 2 66 ? 0.872 1.563 8.895 1.00 19.22 ? ? ? ? ? ? 71 HIS H CB 1 -ATOM 721 C CG . HIS B 2 66 ? -0.245 1.071 9.756 1.00 16.63 ? ? ? ? ? ? 71 HIS H CG 1 -ATOM 722 N ND1 . HIS B 2 66 ? -0.352 1.172 11.116 1.00 17.63 ? ? ? ? ? ? 71 HIS H ND1 1 -ATOM 723 C CD2 . HIS B 2 66 ? -1.382 0.431 9.369 1.00 19.28 ? ? ? ? ? ? 71 HIS H CD2 1 -ATOM 724 C CE1 . HIS B 2 66 ? -1.476 0.658 11.554 1.00 17.24 ? ? ? ? ? ? 71 HIS H CE1 1 -ATOM 725 N NE2 . HIS B 2 66 ? -2.126 0.201 10.498 1.00 17.15 ? ? ? ? ? ? 71 HIS H NE2 1 -ATOM 726 N N . SER B 2 67 ? 1.804 -1.005 7.448 1.00 22.12 ? ? ? ? ? ? 72 SER H N 1 -ATOM 727 C CA . SER B 2 67 ? 1.681 -2.358 6.898 1.00 21.73 ? ? ? ? ? ? 72 SER H CA 1 -ATOM 728 C C . SER B 2 67 ? 3.082 -2.997 6.996 1.00 21.83 ? ? ? ? ? ? 72 SER H C 1 -ATOM 729 O O . SER B 2 67 ? 4.078 -2.351 6.624 1.00 22.20 ? ? ? ? ? ? 72 SER H O 1 -ATOM 730 C CB . SER B 2 67 ? 1.290 -2.241 5.397 1.00 21.48 ? ? ? ? ? ? 72 SER H CB 1 -ATOM 731 O OG . SER B 2 67 ? 1.429 -3.570 4.865 1.00 24.06 ? ? ? ? ? ? 72 SER H OG 1 -ATOM 732 N N . ARG B 2 68 ? 3.105 -4.268 7.381 1.00 22.78 ? ? ? ? ? ? 73 ARG H N 1 -ATOM 733 C CA . ARG B 2 68 ? 4.388 -5.012 7.389 1.00 24.33 ? ? ? ? ? ? 73 ARG H CA 1 -ATOM 734 C C . ARG B 2 68 ? 5.034 -5.246 6.037 1.00 24.58 ? ? ? ? ? ? 73 ARG H C 1 -ATOM 735 O O . ARG B 2 68 ? 6.173 -4.892 5.681 1.00 24.00 ? ? ? ? ? ? 73 ARG H O 1 -ATOM 736 C CB . ARG B 2 68 ? 4.079 -6.394 8.033 1.00 25.85 ? ? ? ? ? ? 73 ARG H CB 1 -ATOM 737 C CG . ARG B 2 68 ? 5.335 -7.301 8.063 1.00 27.88 ? ? ? ? ? ? 73 ARG H CG 1 -ATOM 738 C CD . ARG B 2 68 ? 5.139 -8.463 8.967 1.00 28.55 ? ? ? ? ? ? 73 ARG H CD 1 -ATOM 739 N NE . ARG B 2 68 ? 4.163 -9.453 8.540 1.00 35.27 ? ? ? ? ? ? 73 ARG H NE 1 -ATOM 740 C CZ . ARG B 2 68 ? 4.361 -10.397 7.591 1.00 34.65 ? ? ? ? ? ? 73 ARG H CZ 1 -ATOM 741 N NH1 . ARG B 2 68 ? 5.512 -10.657 6.984 1.00 35.07 ? ? ? ? ? ? 73 ARG H NH1 1 -ATOM 742 N NH2 . ARG B 2 68 ? 3.270 -10.851 6.932 1.00 35.43 ? ? ? ? ? ? 73 ARG H NH2 1 -ATOM 743 N N . THR B 2 69 ? 4.179 -5.613 5.063 1.00 25.07 ? ? ? ? ? ? 74 THR H N 1 -ATOM 744 C CA . THR B 2 69 ? 4.732 -6.081 3.750 1.00 26.83 ? ? ? ? ? ? 74 THR H CA 1 -ATOM 745 C C . THR B 2 69 ? 4.559 -5.256 2.505 1.00 27.30 ? ? ? ? ? ? 74 THR H C 1 -ATOM 746 O O . THR B 2 69 ? 5.415 -5.238 1.586 1.00 28.12 ? ? ? ? ? ? 74 THR H O 1 -ATOM 747 C CB . THR B 2 69 ? 3.941 -7.458 3.824 1.00 29.60 ? ? ? ? ? ? 74 THR H CB 1 -ATOM 748 O OG1 . THR B 2 69 ? 4.902 -8.494 3.935 1.00 36.18 ? ? ? ? ? ? 74 THR H OG1 1 -ATOM 749 C CG2 . THR B 2 69 ? 2.700 -7.422 3.013 1.00 27.17 ? ? ? ? ? ? 74 THR H CG2 1 -ATOM 750 N N . ARG B 2 70 ? 3.644 -4.297 2.524 1.00 27.62 ? ? ? ? ? ? 75 ARG H N 1 -ATOM 751 C CA . ARG B 2 70 ? 3.349 -3.405 1.391 1.00 27.72 ? ? ? ? ? ? 75 ARG H CA 1 -ATOM 752 C C . ARG B 2 70 ? 4.378 -2.288 1.292 1.00 27.83 ? ? ? ? ? ? 75 ARG H C 1 -ATOM 753 O O . ARG B 2 70 ? 4.938 -1.855 2.323 1.00 27.52 ? ? ? ? ? ? 75 ARG H O 1 -ATOM 754 N N . TYR B 2 71 ? 4.666 -1.883 0.079 1.00 26.66 ? ? ? ? ? ? 76 TYR H N 1 -ATOM 755 C CA . TYR B 2 71 ? 5.531 -0.712 -0.149 1.00 26.34 ? ? ? ? ? ? 76 TYR H CA 1 -ATOM 756 C C . TYR B 2 71 ? 4.520 0.426 -0.026 1.00 26.29 ? ? ? ? ? ? 76 TYR H C 1 -ATOM 757 O O . TYR B 2 71 ? 3.535 0.388 -0.813 1.00 28.15 ? ? ? ? ? ? 76 TYR H O 1 -ATOM 758 C CB . TYR B 2 71 ? 6.259 -0.763 -1.480 1.00 28.27 ? ? ? ? ? ? 76 TYR H CB 1 -ATOM 759 C CG . TYR B 2 71 ? 6.950 0.551 -1.746 1.00 29.56 ? ? ? ? ? ? 76 TYR H CG 1 -ATOM 760 C CD1 . TYR B 2 71 ? 7.933 1.064 -0.901 1.00 31.74 ? ? ? ? ? ? 76 TYR H CD1 1 -ATOM 761 C CD2 . TYR B 2 71 ? 6.507 1.372 -2.796 1.00 31.82 ? ? ? ? ? ? 76 TYR H CD2 1 -ATOM 762 C CE1 . TYR B 2 71 ? 8.502 2.324 -1.057 1.00 30.59 ? ? ? ? ? ? 76 TYR H CE1 1 -ATOM 763 C CE2 . TYR B 2 71 ? 7.060 2.641 -2.964 1.00 30.44 ? ? ? ? ? ? 76 TYR H CE2 1 -ATOM 764 C CZ . TYR B 2 71 ? 7.974 3.137 -2.065 1.00 32.07 ? ? ? ? ? ? 76 TYR H CZ 1 -ATOM 765 O OH . TYR B 2 71 ? 8.535 4.340 -2.367 1.00 34.13 ? ? ? ? ? ? 76 TYR H OH 1 -ATOM 766 N N . GLU B 2 72 ? 4.537 1.235 1.001 1.00 24.30 ? ? ? ? ? ? 77 GLU H N 1 -ATOM 767 C CA . GLU B 2 72 ? 3.552 2.267 1.302 1.00 23.49 ? ? ? ? ? ? 77 GLU H CA 1 -ATOM 768 C C . GLU B 2 72 ? 3.914 3.576 0.634 1.00 23.54 ? ? ? ? ? ? 77 GLU H C 1 -ATOM 769 O O . GLU B 2 72 ? 4.310 4.559 1.246 1.00 23.92 ? ? ? ? ? ? 77 GLU H O 1 -ATOM 770 C CB . GLU B 2 72 ? 3.401 2.406 2.826 1.00 22.81 ? ? ? ? ? ? 77 GLU H CB 1 -ATOM 771 C CG . GLU B 2 72 ? 2.859 1.140 3.445 1.00 22.66 ? ? ? ? ? ? 77 GLU H CG 1 -ATOM 772 C CD . GLU B 2 72 ? 2.802 1.023 4.944 1.00 24.66 ? ? ? ? ? ? 77 GLU H CD 1 -ATOM 773 O OE1 . GLU B 2 72 ? 3.891 0.770 5.532 1.00 22.83 ? ? ? ? ? ? 77 GLU H OE1 1 -ATOM 774 O OE2 . GLU B 2 72 ? 1.686 1.033 5.433 1.00 18.55 ? ? ? ? ? ? 77 GLU H OE2 1 -ATOM 775 N N . ARG B 2 73 A 3.627 3.593 -0.689 1.00 22.74 ? ? ? ? ? ? 77 ARG H N 1 -ATOM 776 C CA . ARG B 2 73 A 3.939 4.685 -1.592 1.00 21.83 ? ? ? ? ? ? 77 ARG H CA 1 -ATOM 777 C C . ARG B 2 73 A 3.347 6.004 -1.066 1.00 20.49 ? ? ? ? ? ? 77 ARG H C 1 -ATOM 778 O O . ARG B 2 73 A 2.202 6.137 -0.683 1.00 19.46 ? ? ? ? ? ? 77 ARG H O 1 -ATOM 779 N N . ASN B 2 74 ? 4.260 6.965 -1.132 1.00 20.42 ? ? ? ? ? ? 78 ASN H N 1 -ATOM 780 C CA . ASN B 2 74 ? 3.974 8.319 -0.647 1.00 22.95 ? ? ? ? ? ? 78 ASN H CA 1 -ATOM 781 C C . ASN B 2 74 ? 3.902 8.388 0.886 1.00 22.49 ? ? ? ? ? ? 78 ASN H C 1 -ATOM 782 O O . ASN B 2 74 ? 3.506 9.469 1.355 1.00 22.99 ? ? ? ? ? ? 78 ASN H O 1 -ATOM 783 C CB . ASN B 2 74 ? 2.658 8.816 -1.269 1.00 23.18 ? ? ? ? ? ? 78 ASN H CB 1 -ATOM 784 C CG . ASN B 2 74 ? 2.701 9.010 -2.766 1.00 24.08 ? ? ? ? ? ? 78 ASN H CG 1 -ATOM 785 O OD1 . ASN B 2 74 ? 3.578 8.490 -3.440 1.00 24.98 ? ? ? ? ? ? 78 ASN H OD1 1 -ATOM 786 N ND2 . ASN B 2 74 ? 1.578 9.509 -3.268 1.00 26.44 ? ? ? ? ? ? 78 ASN H ND2 1 -ATOM 787 N N . ILE B 2 75 ? 4.070 7.311 1.609 1.00 22.84 ? ? ? ? ? ? 79 ILE H N 1 -ATOM 788 C CA . ILE B 2 75 ? 3.914 7.402 3.113 1.00 21.81 ? ? ? ? ? ? 79 ILE H CA 1 -ATOM 789 C C . ILE B 2 75 ? 5.283 7.162 3.783 1.00 22.15 ? ? ? ? ? ? 79 ILE H C 1 -ATOM 790 O O . ILE B 2 75 ? 5.903 8.120 4.319 1.00 21.86 ? ? ? ? ? ? 79 ILE H O 1 -ATOM 791 C CB . ILE B 2 75 ? 2.802 6.476 3.612 1.00 21.32 ? ? ? ? ? ? 79 ILE H CB 1 -ATOM 792 C CG1 . ILE B 2 75 ? 1.520 6.880 2.831 1.00 23.76 ? ? ? ? ? ? 79 ILE H CG1 1 -ATOM 793 C CG2 . ILE B 2 75 ? 2.567 6.484 5.153 1.00 19.46 ? ? ? ? ? ? 79 ILE H CG2 1 -ATOM 794 C CD1 . ILE B 2 75 ? 0.196 6.744 3.553 1.00 24.43 ? ? ? ? ? ? 79 ILE H CD1 1 -ATOM 795 N N . GLU B 2 76 ? 5.786 6.004 3.410 1.00 21.60 ? ? ? ? ? ? 80 GLU H N 1 -ATOM 796 C CA . GLU B 2 76 ? 7.085 5.539 3.953 1.00 21.95 ? ? ? ? ? ? 80 GLU H CA 1 -ATOM 797 C C . GLU B 2 76 ? 8.216 6.129 3.185 1.00 23.64 ? ? ? ? ? ? 80 GLU H C 1 -ATOM 798 O O . GLU B 2 76 ? 8.138 6.517 1.994 1.00 22.73 ? ? ? ? ? ? 80 GLU H O 1 -ATOM 799 C CB . GLU B 2 76 ? 7.209 4.032 3.897 1.00 23.56 ? ? ? ? ? ? 80 GLU H CB 1 -ATOM 800 C CG . GLU B 2 76 ? 7.619 3.292 2.632 1.00 24.29 ? ? ? ? ? ? 80 GLU H CG 1 -ATOM 801 C CD . GLU B 2 76 ? 7.718 1.789 2.801 1.00 24.93 ? ? ? ? ? ? 80 GLU H CD 1 -ATOM 802 O OE1 . GLU B 2 76 ? 6.738 1.043 2.729 1.00 21.82 ? ? ? ? ? ? 80 GLU H OE1 1 -ATOM 803 O OE2 . GLU B 2 76 ? 8.906 1.523 3.186 1.00 22.90 ? ? ? ? ? ? 80 GLU H OE2 1 -ATOM 804 N N . LYS B 2 77 ? 9.337 6.232 3.875 1.00 23.70 ? ? ? ? ? ? 81 LYS H N 1 -ATOM 805 C CA . LYS B 2 77 ? 10.598 6.718 3.277 1.00 25.07 ? ? ? ? ? ? 81 LYS H CA 1 -ATOM 806 C C . LYS B 2 77 ? 11.619 5.615 3.537 1.00 26.58 ? ? ? ? ? ? 81 LYS H C 1 -ATOM 807 O O . LYS B 2 77 ? 11.637 5.031 4.675 1.00 26.65 ? ? ? ? ? ? 81 LYS H O 1 -ATOM 808 C CB . LYS B 2 77 ? 10.968 7.996 3.991 1.00 29.28 ? ? ? ? ? ? 81 LYS H CB 1 -ATOM 809 C CG . LYS B 2 77 ? 10.557 9.264 3.241 1.00 37.72 ? ? ? ? ? ? 81 LYS H CG 1 -ATOM 810 C CD . LYS B 2 77 ? 9.605 8.980 2.084 1.00 43.57 ? ? ? ? ? ? 81 LYS H CD 1 -ATOM 811 C CE . LYS B 2 77 ? 8.731 10.179 1.748 1.00 45.51 ? ? ? ? ? ? 81 LYS H CE 1 -ATOM 812 N NZ . LYS B 2 77 ? 7.276 9.855 1.734 1.00 47.21 ? ? ? ? ? ? 81 LYS H NZ 1 -ATOM 813 N N . ILE B 2 78 ? 12.470 5.347 2.594 1.00 26.29 ? ? ? ? ? ? 82 ILE H N 1 -ATOM 814 C CA . ILE B 2 78 ? 13.469 4.280 2.675 1.00 27.11 ? ? ? ? ? ? 82 ILE H CA 1 -ATOM 815 C C . ILE B 2 78 ? 14.833 4.941 2.661 1.00 28.75 ? ? ? ? ? ? 82 ILE H C 1 -ATOM 816 O O . ILE B 2 78 ? 15.031 5.913 1.904 1.00 29.83 ? ? ? ? ? ? 82 ILE H O 1 -ATOM 817 C CB . ILE B 2 78 ? 13.288 3.207 1.554 1.00 27.85 ? ? ? ? ? ? 82 ILE H CB 1 -ATOM 818 C CG1 . ILE B 2 78 ? 11.844 2.665 1.614 1.00 28.08 ? ? ? ? ? ? 82 ILE H CG1 1 -ATOM 819 C CG2 . ILE B 2 78 ? 14.391 2.123 1.667 1.00 25.99 ? ? ? ? ? ? 82 ILE H CG2 1 -ATOM 820 C CD1 . ILE B 2 78 ? 11.343 1.535 0.664 1.00 25.97 ? ? ? ? ? ? 82 ILE H CD1 1 -ATOM 821 N N . SER B 2 79 ? 15.716 4.559 3.577 1.00 29.26 ? ? ? ? ? ? 83 SER H N 1 -ATOM 822 C CA . SER B 2 79 ? 17.038 5.193 3.597 1.00 30.09 ? ? ? ? ? ? 83 SER H CA 1 -ATOM 823 C C . SER B 2 79 ? 18.097 4.063 3.669 1.00 30.67 ? ? ? ? ? ? 83 SER H C 1 -ATOM 824 O O . SER B 2 79 ? 17.845 2.929 4.050 1.00 30.46 ? ? ? ? ? ? 83 SER H O 1 -ATOM 825 C CB . SER B 2 79 ? 17.365 6.192 4.660 1.00 30.99 ? ? ? ? ? ? 83 SER H CB 1 -ATOM 826 O OG . SER B 2 79 ? 16.308 6.959 5.165 1.00 35.97 ? ? ? ? ? ? 83 SER H OG 1 -ATOM 827 N N . MET B 2 80 ? 19.233 4.510 3.236 1.00 30.81 ? ? ? ? ? ? 84 MET H N 1 -ATOM 828 C CA . MET B 2 80 ? 20.508 3.831 3.158 1.00 32.42 ? ? ? ? ? ? 84 MET H CA 1 -ATOM 829 C C . MET B 2 80 ? 21.290 4.283 4.403 1.00 32.00 ? ? ? ? ? ? 84 MET H C 1 -ATOM 830 O O . MET B 2 80 ? 21.093 5.416 4.908 1.00 32.07 ? ? ? ? ? ? 84 MET H O 1 -ATOM 831 C CB . MET B 2 80 ? 21.199 4.183 1.843 1.00 35.70 ? ? ? ? ? ? 84 MET H CB 1 -ATOM 832 C CG . MET B 2 80 ? 20.333 3.634 0.705 1.00 42.75 ? ? ? ? ? ? 84 MET H CG 1 -ATOM 833 S SD . MET B 2 80 ? 21.334 3.552 -0.851 1.00 49.95 ? ? ? ? ? ? 84 MET H SD 1 -ATOM 834 C CE . MET B 2 80 ? 22.011 5.234 -0.817 1.00 45.68 ? ? ? ? ? ? 84 MET H CE 1 -ATOM 835 N N . LEU B 2 81 ? 22.134 3.368 4.850 1.00 32.15 ? ? ? ? ? ? 85 LEU H N 1 -ATOM 836 C CA . LEU B 2 81 ? 22.975 3.629 6.036 1.00 31.76 ? ? ? ? ? ? 85 LEU H CA 1 -ATOM 837 C C . LEU B 2 81 ? 24.322 4.129 5.557 1.00 31.08 ? ? ? ? ? ? 85 LEU H C 1 -ATOM 838 O O . LEU B 2 81 ? 24.834 3.583 4.576 1.00 31.46 ? ? ? ? ? ? 85 LEU H O 1 -ATOM 839 C CB . LEU B 2 81 ? 23.176 2.357 6.877 1.00 32.76 ? ? ? ? ? ? 85 LEU H CB 1 -ATOM 840 C CG . LEU B 2 81 ? 21.853 1.767 7.372 1.00 35.15 ? ? ? ? ? ? 85 LEU H CG 1 -ATOM 841 C CD1 . LEU B 2 81 ? 22.121 0.389 7.938 1.00 36.40 ? ? ? ? ? ? 85 LEU H CD1 1 -ATOM 842 C CD2 . LEU B 2 81 ? 21.293 2.773 8.382 1.00 35.15 ? ? ? ? ? ? 85 LEU H CD2 1 -ATOM 843 N N . GLU B 2 82 ? 24.794 5.074 6.329 1.00 31.37 ? ? ? ? ? ? 86 GLU H N 1 -ATOM 844 C CA . GLU B 2 82 ? 26.130 5.621 6.103 1.00 31.18 ? ? ? ? ? ? 86 GLU H CA 1 -ATOM 845 C C . GLU B 2 82 ? 27.147 4.883 6.992 1.00 31.71 ? ? ? ? ? ? 86 GLU H C 1 -ATOM 846 O O . GLU B 2 82 ? 28.265 4.558 6.542 1.00 31.05 ? ? ? ? ? ? 86 GLU H O 1 -ATOM 847 C CB . GLU B 2 82 ? 26.186 7.095 6.445 1.00 32.83 ? ? ? ? ? ? 86 GLU H CB 1 -ATOM 848 C CG . GLU B 2 82 ? 27.477 7.793 6.013 1.00 40.06 ? ? ? ? ? ? 86 GLU H CG 1 -ATOM 849 C CD . GLU B 2 82 ? 27.421 9.246 6.394 1.00 45.51 ? ? ? ? ? ? 86 GLU H CD 1 -ATOM 850 O OE1 . GLU B 2 82 ? 26.380 9.901 6.443 1.00 49.79 ? ? ? ? ? ? 86 GLU H OE1 1 -ATOM 851 O OE2 . GLU B 2 82 ? 28.524 9.691 6.771 1.00 49.52 ? ? ? ? ? ? 86 GLU H OE2 1 -ATOM 852 N N . LYS B 2 83 ? 26.683 4.578 8.212 1.00 31.42 ? ? ? ? ? ? 87 LYS H N 1 -ATOM 853 C CA . LYS B 2 83 ? 27.585 3.977 9.208 1.00 30.36 ? ? ? ? ? ? 87 LYS H CA 1 -ATOM 854 C C . LYS B 2 83 ? 26.794 3.313 10.306 1.00 29.06 ? ? ? ? ? ? 87 LYS H C 1 -ATOM 855 O O . LYS B 2 83 ? 25.779 3.809 10.763 1.00 28.73 ? ? ? ? ? ? 87 LYS H O 1 -ATOM 856 C CB . LYS B 2 83 ? 28.358 5.159 9.811 1.00 33.97 ? ? ? ? ? ? 87 LYS H CB 1 -ATOM 857 C CG . LYS B 2 83 ? 29.841 4.913 10.102 1.00 36.58 ? ? ? ? ? ? 87 LYS H CG 1 -ATOM 858 C CD . LYS B 2 83 ? 29.978 3.483 10.604 1.00 41.62 ? ? ? ? ? ? 87 LYS H CD 1 -ATOM 859 C CE . LYS B 2 83 ? 31.416 3.083 10.882 1.00 45.14 ? ? ? ? ? ? 87 LYS H CE 1 -ATOM 860 N NZ . LYS B 2 83 ? 32.118 2.815 9.592 1.00 49.09 ? ? ? ? ? ? 87 LYS H NZ 1 -ATOM 861 N N . ILE B 2 84 ? 27.275 2.179 10.758 1.00 28.27 ? ? ? ? ? ? 88 ILE H N 1 -ATOM 862 C CA . ILE B 2 84 ? 26.745 1.457 11.923 1.00 26.01 ? ? ? ? ? ? 88 ILE H CA 1 -ATOM 863 C C . ILE B 2 84 ? 27.769 1.509 13.082 1.00 24.48 ? ? ? ? ? ? 88 ILE H C 1 -ATOM 864 O O . ILE B 2 84 ? 28.894 1.120 12.856 1.00 23.97 ? ? ? ? ? ? 88 ILE H O 1 -ATOM 865 C CB . ILE B 2 84 ? 26.509 -0.026 11.500 1.00 27.65 ? ? ? ? ? ? 88 ILE H CB 1 -ATOM 866 C CG1 . ILE B 2 84 ? 25.245 -0.098 10.614 1.00 29.13 ? ? ? ? ? ? 88 ILE H CG1 1 -ATOM 867 C CG2 . ILE B 2 84 ? 26.399 -0.971 12.749 1.00 30.16 ? ? ? ? ? ? 88 ILE H CG2 1 -ATOM 868 C CD1 . ILE B 2 84 ? 25.141 -1.523 9.965 1.00 31.55 ? ? ? ? ? ? 88 ILE H CD1 1 -ATOM 869 N N . TYR B 2 85 ? 27.340 1.736 14.279 1.00 23.67 ? ? ? ? ? ? 89 TYR H N 1 -ATOM 870 C CA . TYR B 2 85 ? 28.209 1.736 15.457 1.00 24.16 ? ? ? ? ? ? 89 TYR H CA 1 -ATOM 871 C C . TYR B 2 85 ? 27.572 0.810 16.481 1.00 23.10 ? ? ? ? ? ? 89 TYR H C 1 -ATOM 872 O O . TYR B 2 85 ? 26.471 1.094 16.951 1.00 24.23 ? ? ? ? ? ? 89 TYR H O 1 -ATOM 873 C CB . TYR B 2 85 ? 28.180 3.147 16.090 1.00 29.25 ? ? ? ? ? ? 89 TYR H CB 1 -ATOM 874 C CG . TYR B 2 85 ? 28.681 4.186 15.095 1.00 33.78 ? ? ? ? ? ? 89 TYR H CG 1 -ATOM 875 C CD1 . TYR B 2 85 ? 30.046 4.431 14.934 1.00 33.63 ? ? ? ? ? ? 89 TYR H CD1 1 -ATOM 876 C CD2 . TYR B 2 85 ? 27.751 4.889 14.314 1.00 33.85 ? ? ? ? ? ? 89 TYR H CD2 1 -ATOM 877 C CE1 . TYR B 2 85 ? 30.469 5.353 13.977 1.00 38.41 ? ? ? ? ? ? 89 TYR H CE1 1 -ATOM 878 C CE2 . TYR B 2 85 ? 28.179 5.847 13.410 1.00 37.35 ? ? ? ? ? ? 89 TYR H CE2 1 -ATOM 879 C CZ . TYR B 2 85 ? 29.534 6.084 13.252 1.00 37.77 ? ? ? ? ? ? 89 TYR H CZ 1 -ATOM 880 O OH . TYR B 2 85 ? 29.990 6.899 12.247 1.00 41.56 ? ? ? ? ? ? 89 TYR H OH 1 -ATOM 881 N N . ILE B 2 86 ? 28.303 -0.188 16.869 1.00 22.38 ? ? ? ? ? ? 90 ILE H N 1 -ATOM 882 C CA . ILE B 2 86 ? 27.953 -1.150 17.913 1.00 21.39 ? ? ? ? ? ? 90 ILE H CA 1 -ATOM 883 C C . ILE B 2 86 ? 28.690 -0.801 19.225 1.00 20.41 ? ? ? ? ? ? 90 ILE H C 1 -ATOM 884 O O . ILE B 2 86 ? 29.900 -0.544 19.121 1.00 18.90 ? ? ? ? ? ? 90 ILE H O 1 -ATOM 885 C CB . ILE B 2 86 ? 28.287 -2.603 17.422 1.00 21.09 ? ? ? ? ? ? 90 ILE H CB 1 -ATOM 886 C CG1 . ILE B 2 86 ? 27.416 -2.837 16.155 1.00 25.14 ? ? ? ? ? ? 90 ILE H CG1 1 -ATOM 887 C CG2 . ILE B 2 86 ? 28.009 -3.720 18.481 1.00 21.71 ? ? ? ? ? ? 90 ILE H CG2 1 -ATOM 888 C CD1 . ILE B 2 86 ? 27.419 -4.310 15.679 1.00 25.97 ? ? ? ? ? ? 90 ILE H CD1 1 -ATOM 889 N N . HIS B 2 87 ? 28.035 -1.034 20.342 1.00 20.34 ? ? ? ? ? ? 91 HIS H N 1 -ATOM 890 C CA . HIS B 2 87 ? 28.754 -0.706 21.619 1.00 22.61 ? ? ? ? ? ? 91 HIS H CA 1 -ATOM 891 C C . HIS B 2 87 ? 30.035 -1.515 21.671 1.00 23.30 ? ? ? ? ? ? 91 HIS H C 1 -ATOM 892 O O . HIS B 2 87 ? 29.918 -2.726 21.437 1.00 21.37 ? ? ? ? ? ? 91 HIS H O 1 -ATOM 893 C CB . HIS B 2 87 ? 27.817 -0.909 22.824 1.00 22.43 ? ? ? ? ? ? 91 HIS H CB 1 -ATOM 894 C CG . HIS B 2 87 ? 28.390 -0.300 24.075 1.00 26.72 ? ? ? ? ? ? 91 HIS H CG 1 -ATOM 895 N ND1 . HIS B 2 87 ? 29.518 -0.825 24.697 1.00 24.28 ? ? ? ? ? ? 91 HIS H ND1 1 -ATOM 896 C CD2 . HIS B 2 87 ? 27.970 0.763 24.819 1.00 25.99 ? ? ? ? ? ? 91 HIS H CD2 1 -ATOM 897 C CE1 . HIS B 2 87 ? 29.768 -0.056 25.767 1.00 25.48 ? ? ? ? ? ? 91 HIS H CE1 1 -ATOM 898 N NE2 . HIS B 2 87 ? 28.839 0.866 25.893 1.00 24.65 ? ? ? ? ? ? 91 HIS H NE2 1 -ATOM 899 N N . PRO B 2 88 ? 31.221 -0.895 21.893 1.00 25.02 ? ? ? ? ? ? 92 PRO H N 1 -ATOM 900 C CA . PRO B 2 88 ? 32.501 -1.592 22.029 1.00 24.65 ? ? ? ? ? ? 92 PRO H CA 1 -ATOM 901 C C . PRO B 2 88 ? 32.487 -2.727 23.062 1.00 25.05 ? ? ? ? ? ? 92 PRO H C 1 -ATOM 902 O O . PRO B 2 88 ? 33.173 -3.758 22.856 1.00 25.92 ? ? ? ? ? ? 92 PRO H O 1 -ATOM 903 C CB . PRO B 2 88 ? 33.521 -0.558 22.430 1.00 25.45 ? ? ? ? ? ? 92 PRO H CB 1 -ATOM 904 C CG . PRO B 2 88 ? 32.753 0.674 22.795 1.00 26.33 ? ? ? ? ? ? 92 PRO H CG 1 -ATOM 905 C CD . PRO B 2 88 ? 31.358 0.521 22.236 1.00 25.81 ? ? ? ? ? ? 92 PRO H CD 1 -ATOM 906 N N . ARG B 2 89 ? 31.654 -2.639 24.079 1.00 23.77 ? ? ? ? ? ? 93 ARG H N 1 -ATOM 907 C CA . ARG B 2 89 ? 31.518 -3.680 25.100 1.00 23.61 ? ? ? ? ? ? 93 ARG H CA 1 -ATOM 908 C C . ARG B 2 89 ? 30.259 -4.505 25.073 1.00 22.64 ? ? ? ? ? ? 93 ARG H C 1 -ATOM 909 O O . ARG B 2 89 ? 29.915 -5.175 26.100 1.00 21.66 ? ? ? ? ? ? 93 ARG H O 1 -ATOM 910 C CB . ARG B 2 89 ? 31.772 -3.083 26.497 1.00 23.05 ? ? ? ? ? ? 93 ARG H CB 1 -ATOM 911 C CG . ARG B 2 89 ? 33.108 -2.319 26.465 1.00 27.38 ? ? ? ? ? ? 93 ARG H CG 1 -ATOM 912 C CD . ARG B 2 89 ? 33.906 -2.966 27.573 1.00 35.00 ? ? ? ? ? ? 93 ARG H CD 1 -ATOM 913 N NE . ARG B 2 89 ? 33.542 -2.392 28.821 1.00 37.51 ? ? ? ? ? ? 93 ARG H NE 1 -ATOM 914 C CZ . ARG B 2 89 ? 33.516 -2.593 30.113 1.00 39.98 ? ? ? ? ? ? 93 ARG H CZ 1 -ATOM 915 N NH1 . ARG B 2 89 ? 33.920 -3.662 30.797 1.00 41.69 ? ? ? ? ? ? 93 ARG H NH1 1 -ATOM 916 N NH2 . ARG B 2 89 ? 32.886 -1.667 30.868 1.00 40.89 ? ? ? ? ? ? 93 ARG H NH2 1 -ATOM 917 N N . TYR B 2 90 ? 29.555 -4.523 23.921 1.00 21.51 ? ? ? ? ? ? 94 TYR H N 1 -ATOM 918 C CA . TYR B 2 90 ? 28.387 -5.449 23.786 1.00 20.27 ? ? ? ? ? ? 94 TYR H CA 1 -ATOM 919 C C . TYR B 2 90 ? 28.871 -6.896 24.014 1.00 20.02 ? ? ? ? ? ? 94 TYR H C 1 -ATOM 920 O O . TYR B 2 90 ? 29.791 -7.341 23.332 1.00 19.77 ? ? ? ? ? ? 94 TYR H O 1 -ATOM 921 C CB . TYR B 2 90 ? 27.841 -5.304 22.361 1.00 22.41 ? ? ? ? ? ? 94 TYR H CB 1 -ATOM 922 C CG . TYR B 2 90 ? 27.009 -6.420 21.759 1.00 19.52 ? ? ? ? ? ? 94 TYR H CG 1 -ATOM 923 C CD1 . TYR B 2 90 ? 25.867 -6.894 22.366 1.00 17.80 ? ? ? ? ? ? 94 TYR H CD1 1 -ATOM 924 C CD2 . TYR B 2 90 ? 27.415 -6.893 20.480 1.00 21.39 ? ? ? ? ? ? 94 TYR H CD2 1 -ATOM 925 C CE1 . TYR B 2 90 ? 25.170 -7.925 21.743 1.00 19.03 ? ? ? ? ? ? 94 TYR H CE1 1 -ATOM 926 C CE2 . TYR B 2 90 ? 26.693 -7.913 19.838 1.00 20.06 ? ? ? ? ? ? 94 TYR H CE2 1 -ATOM 927 C CZ . TYR B 2 90 ? 25.533 -8.324 20.468 1.00 18.18 ? ? ? ? ? ? 94 TYR H CZ 1 -ATOM 928 O OH . TYR B 2 90 ? 24.817 -9.319 19.847 1.00 20.75 ? ? ? ? ? ? 94 TYR H OH 1 -ATOM 929 N N . ASN B 2 91 ? 28.208 -7.607 24.894 1.00 20.87 ? ? ? ? ? ? 95 ASN H N 1 -ATOM 930 C CA . ASN B 2 91 ? 28.657 -8.946 25.325 1.00 22.47 ? ? ? ? ? ? 95 ASN H CA 1 -ATOM 931 C C . ASN B 2 91 ? 27.788 -10.020 24.684 1.00 21.64 ? ? ? ? ? ? 95 ASN H C 1 -ATOM 932 O O . ASN B 2 91 ? 26.824 -10.430 25.314 1.00 23.09 ? ? ? ? ? ? 95 ASN H O 1 -ATOM 933 C CB . ASN B 2 91 ? 28.771 -8.982 26.854 1.00 24.68 ? ? ? ? ? ? 95 ASN H CB 1 -ATOM 934 C CG . ASN B 2 91 ? 29.244 -10.368 27.357 1.00 27.84 ? ? ? ? ? ? 95 ASN H CG 1 -ATOM 935 O OD1 . ASN B 2 91 ? 29.491 -11.329 26.600 1.00 24.44 ? ? ? ? ? ? 95 ASN H OD1 1 -ATOM 936 N ND2 . ASN B 2 91 ? 29.187 -10.557 28.671 1.00 27.07 ? ? ? ? ? ? 95 ASN H ND2 1 -ATOM 937 N N . TRP B 2 92 ? 28.146 -10.380 23.456 1.00 22.84 ? ? ? ? ? ? 96 TRP H N 1 -ATOM 938 C CA . TRP B 2 92 ? 27.369 -11.370 22.701 1.00 24.11 ? ? ? ? ? ? 96 TRP H CA 1 -ATOM 939 C C . TRP B 2 92 ? 27.781 -12.799 23.141 1.00 26.26 ? ? ? ? ? ? 96 TRP H C 1 -ATOM 940 O O . TRP B 2 92 ? 26.975 -13.729 22.880 1.00 26.46 ? ? ? ? ? ? 96 TRP H O 1 -ATOM 941 C CB . TRP B 2 92 ? 27.489 -11.320 21.181 1.00 19.91 ? ? ? ? ? ? 96 TRP H CB 1 -ATOM 942 C CG . TRP B 2 92 ? 28.888 -11.303 20.708 1.00 18.12 ? ? ? ? ? ? 96 TRP H CG 1 -ATOM 943 C CD1 . TRP B 2 92 ? 29.644 -10.198 20.495 1.00 17.78 ? ? ? ? ? ? 96 TRP H CD1 1 -ATOM 944 C CD2 . TRP B 2 92 ? 29.757 -12.438 20.542 1.00 20.43 ? ? ? ? ? ? 96 TRP H CD2 1 -ATOM 945 N NE1 . TRP B 2 92 ? 30.867 -10.549 20.036 1.00 19.69 ? ? ? ? ? ? 96 TRP H NE1 1 -ATOM 946 C CE2 . TRP B 2 92 ? 30.977 -11.925 20.064 1.00 21.61 ? ? ? ? ? ? 96 TRP H CE2 1 -ATOM 947 C CE3 . TRP B 2 92 ? 29.555 -13.816 20.606 1.00 19.28 ? ? ? ? ? ? 96 TRP H CE3 1 -ATOM 948 C CZ2 . TRP B 2 92 ? 32.031 -12.764 19.665 1.00 24.37 ? ? ? ? ? ? 96 TRP H CZ2 1 -ATOM 949 C CZ3 . TRP B 2 92 ? 30.610 -14.657 20.245 1.00 20.56 ? ? ? ? ? ? 96 TRP H CZ3 1 -ATOM 950 C CH2 . TRP B 2 92 ? 31.830 -14.137 19.868 1.00 21.27 ? ? ? ? ? ? 96 TRP H CH2 1 -ATOM 951 N N . ARG B 2 93 ? 28.953 -12.842 23.778 1.00 25.70 ? ? ? ? ? ? 97 ARG H N 1 -ATOM 952 C CA . ARG B 2 93 ? 29.431 -14.158 24.210 1.00 27.01 ? ? ? ? ? ? 97 ARG H CA 1 -ATOM 953 C C . ARG B 2 93 ? 28.637 -14.698 25.373 1.00 26.90 ? ? ? ? ? ? 97 ARG H C 1 -ATOM 954 O O . ARG B 2 93 ? 28.616 -15.924 25.514 1.00 27.64 ? ? ? ? ? ? 97 ARG H O 1 -ATOM 955 C CB . ARG B 2 93 ? 30.912 -14.214 24.630 1.00 27.02 ? ? ? ? ? ? 97 ARG H CB 1 -ATOM 956 C CG . ARG B 2 93 ? 31.886 -13.827 23.539 1.00 28.45 ? ? ? ? ? ? 97 ARG H CG 1 -ATOM 957 C CD . ARG B 2 93 ? 33.331 -13.982 23.885 1.00 30.28 ? ? ? ? ? ? 97 ARG H CD 1 -ATOM 958 N NE . ARG B 2 93 ? 34.146 -13.826 22.659 1.00 36.99 ? ? ? ? ? ? 97 ARG H NE 1 -ATOM 959 C CZ . ARG B 2 93 ? 34.550 -14.954 22.030 1.00 37.50 ? ? ? ? ? ? 97 ARG H CZ 1 -ATOM 960 N NH1 . ARG B 2 93 ? 34.346 -16.163 22.554 1.00 38.85 ? ? ? ? ? ? 97 ARG H NH1 1 -ATOM 961 N NH2 . ARG B 2 93 ? 34.957 -14.886 20.778 1.00 40.56 ? ? ? ? ? ? 97 ARG H NH2 1 -ATOM 962 N N . GLU B 2 94 A 28.004 -13.867 26.181 1.00 27.26 ? ? ? ? ? ? 97 GLU H N 1 -ATOM 963 C CA . GLU B 2 94 A 27.350 -14.373 27.375 1.00 26.52 ? ? ? ? ? ? 97 GLU H CA 1 -ATOM 964 C C . GLU B 2 94 A 25.934 -13.945 27.631 1.00 25.81 ? ? ? ? ? ? 97 GLU H C 1 -ATOM 965 O O . GLU B 2 94 A 25.073 -14.839 27.797 1.00 27.53 ? ? ? ? ? ? 97 GLU H O 1 -ATOM 966 C CB . GLU B 2 94 A 28.246 -13.894 28.548 1.00 27.62 ? ? ? ? ? ? 97 GLU H CB 1 -ATOM 967 C CG . GLU B 2 94 A 27.899 -14.348 29.916 1.00 29.94 ? ? ? ? ? ? 97 GLU H CG 1 -ATOM 968 C CD . GLU B 2 94 A 28.408 -13.483 31.044 1.00 34.65 ? ? ? ? ? ? 97 GLU H CD 1 -ATOM 969 O OE1 . GLU B 2 94 A 29.303 -12.648 30.953 1.00 36.30 ? ? ? ? ? ? 97 GLU H OE1 1 -ATOM 970 O OE2 . GLU B 2 94 A 27.729 -13.664 32.093 1.00 36.76 ? ? ? ? ? ? 97 GLU H OE2 1 -ATOM 971 N N . ASN B 2 95 ? 25.661 -12.650 27.839 1.00 23.82 ? ? ? ? ? ? 98 ASN H N 1 -ATOM 972 C CA . ASN B 2 95 ? 24.299 -12.269 28.213 1.00 21.29 ? ? ? ? ? ? 98 ASN H CA 1 -ATOM 973 C C . ASN B 2 95 ? 23.713 -11.109 27.403 1.00 19.71 ? ? ? ? ? ? 98 ASN H C 1 -ATOM 974 O O . ASN B 2 95 ? 22.669 -10.626 27.889 1.00 21.63 ? ? ? ? ? ? 98 ASN H O 1 -ATOM 975 C CB . ASN B 2 95 ? 24.267 -12.045 29.744 1.00 16.75 ? ? ? ? ? ? 98 ASN H CB 1 -ATOM 976 C CG . ASN B 2 95 ? 25.290 -10.943 30.083 1.00 16.52 ? ? ? ? ? ? 98 ASN H CG 1 -ATOM 977 O OD1 . ASN B 2 95 ? 25.422 -10.551 31.244 1.00 22.73 ? ? ? ? ? ? 98 ASN H OD1 1 -ATOM 978 N ND2 . ASN B 2 95 ? 26.023 -10.438 29.127 1.00 15.69 ? ? ? ? ? ? 98 ASN H ND2 1 -ATOM 979 N N . LEU B 2 96 ? 24.239 -10.722 26.286 1.00 20.05 ? ? ? ? ? ? 99 LEU H N 1 -ATOM 980 C CA . LEU B 2 96 ? 23.820 -9.558 25.510 1.00 20.00 ? ? ? ? ? ? 99 LEU H CA 1 -ATOM 981 C C . LEU B 2 96 ? 23.837 -8.272 26.333 1.00 20.05 ? ? ? ? ? ? 99 LEU H C 1 -ATOM 982 O O . LEU B 2 96 ? 22.964 -7.383 26.227 1.00 19.08 ? ? ? ? ? ? 99 LEU H O 1 -ATOM 983 C CB . LEU B 2 96 ? 22.410 -9.904 24.942 1.00 22.46 ? ? ? ? ? ? 99 LEU H CB 1 -ATOM 984 C CG . LEU B 2 96 ? 22.330 -10.179 23.452 1.00 23.43 ? ? ? ? ? ? 99 LEU H CG 1 -ATOM 985 C CD1 . LEU B 2 96 ? 23.350 -11.169 22.960 1.00 22.19 ? ? ? ? ? ? 99 LEU H CD1 1 -ATOM 986 C CD2 . LEU B 2 96 ? 20.890 -10.726 23.225 1.00 23.12 ? ? ? ? ? ? 99 LEU H CD2 1 -ATOM 987 N N . ASP B 2 97 ? 24.763 -8.171 27.308 1.00 18.66 ? ? ? ? ? ? 100 ASP H N 1 -ATOM 988 C CA . ASP B 2 97 ? 24.884 -6.905 28.079 1.00 18.12 ? ? ? ? ? ? 100 ASP H CA 1 -ATOM 989 C C . ASP B 2 97 ? 25.302 -5.804 27.090 1.00 16.17 ? ? ? ? ? ? 100 ASP H C 1 -ATOM 990 O O . ASP B 2 97 ? 26.184 -6.052 26.239 1.00 16.79 ? ? ? ? ? ? 100 ASP H O 1 -ATOM 991 C CB . ASP B 2 97 ? 25.980 -7.148 29.148 1.00 18.69 ? ? ? ? ? ? 100 ASP H CB 1 -ATOM 992 C CG . ASP B 2 97 ? 26.040 -5.985 30.126 1.00 19.54 ? ? ? ? ? ? 100 ASP H CG 1 -ATOM 993 O OD1 . ASP B 2 97 ? 25.052 -5.279 30.413 1.00 22.84 ? ? ? ? ? ? 100 ASP H OD1 1 -ATOM 994 O OD2 . ASP B 2 97 ? 27.164 -5.817 30.600 1.00 21.98 ? ? ? ? ? ? 100 ASP H OD2 1 -ATOM 995 N N . ARG B 2 98 ? 24.812 -4.590 27.324 1.00 14.88 ? ? ? ? ? ? 101 ARG H N 1 -ATOM 996 C CA . ARG B 2 98 ? 25.098 -3.515 26.356 1.00 16.33 ? ? ? ? ? ? 101 ARG H CA 1 -ATOM 997 C C . ARG B 2 98 ? 24.596 -3.811 24.914 1.00 14.00 ? ? ? ? ? ? 101 ARG H C 1 -ATOM 998 O O . ARG B 2 98 ? 25.356 -3.627 23.993 1.00 15.49 ? ? ? ? ? ? 101 ARG H O 1 -ATOM 999 C CB . ARG B 2 98 ? 26.563 -3.099 26.336 1.00 18.13 ? ? ? ? ? ? 101 ARG H CB 1 -ATOM 1000 C CG . ARG B 2 98 ? 27.031 -2.883 27.801 1.00 24.82 ? ? ? ? ? ? 101 ARG H CG 1 -ATOM 1001 C CD . ARG B 2 98 ? 28.440 -2.345 27.802 1.00 27.63 ? ? ? ? ? ? 101 ARG H CD 1 -ATOM 1002 N NE . ARG B 2 98 ? 28.996 -2.407 29.154 1.00 34.47 ? ? ? ? ? ? 101 ARG H NE 1 -ATOM 1003 C CZ . ARG B 2 98 ? 29.616 -3.516 29.622 1.00 33.71 ? ? ? ? ? ? 101 ARG H CZ 1 -ATOM 1004 N NH1 . ARG B 2 98 ? 29.868 -4.652 28.957 1.00 33.95 ? ? ? ? ? ? 101 ARG H NH1 1 -ATOM 1005 N NH2 . ARG B 2 98 ? 29.848 -3.437 30.921 1.00 35.74 ? ? ? ? ? ? 101 ARG H NH2 1 -ATOM 1006 N N . ASP B 2 99 ? 23.420 -4.319 24.778 1.00 15.43 ? ? ? ? ? ? 102 ASP H N 1 -ATOM 1007 C CA . ASP B 2 99 ? 22.821 -4.730 23.452 1.00 15.33 ? ? ? ? ? ? 102 ASP H CA 1 -ATOM 1008 C C . ASP B 2 99 ? 22.310 -3.429 22.779 1.00 14.15 ? ? ? ? ? ? 102 ASP H C 1 -ATOM 1009 O O . ASP B 2 99 ? 21.117 -3.139 22.933 1.00 14.62 ? ? ? ? ? ? 102 ASP H O 1 -ATOM 1010 C CB . ASP B 2 99 ? 21.675 -5.716 23.790 1.00 14.53 ? ? ? ? ? ? 102 ASP H CB 1 -ATOM 1011 C CG . ASP B 2 99 ? 21.138 -6.356 22.462 1.00 13.94 ? ? ? ? ? ? 102 ASP H CG 1 -ATOM 1012 O OD1 . ASP B 2 99 ? 21.779 -6.186 21.433 1.00 16.31 ? ? ? ? ? ? 102 ASP H OD1 1 -ATOM 1013 O OD2 . ASP B 2 99 ? 20.082 -6.964 22.657 1.00 18.08 ? ? ? ? ? ? 102 ASP H OD2 1 -ATOM 1014 N N . ILE B 2 100 ? 23.165 -2.669 22.196 1.00 13.94 ? ? ? ? ? ? 103 ILE H N 1 -ATOM 1015 C CA . ILE B 2 100 ? 22.733 -1.391 21.622 1.00 16.82 ? ? ? ? ? ? 103 ILE H CA 1 -ATOM 1016 C C . ILE B 2 100 ? 23.567 -1.037 20.422 1.00 17.85 ? ? ? ? ? ? 103 ILE H C 1 -ATOM 1017 O O . ILE B 2 100 ? 24.803 -1.330 20.449 1.00 20.13 ? ? ? ? ? ? 103 ILE H O 1 -ATOM 1018 C CB . ILE B 2 100 ? 22.792 -0.276 22.728 1.00 15.88 ? ? ? ? ? ? 103 ILE H CB 1 -ATOM 1019 C CG1 . ILE B 2 100 ? 22.266 1.064 22.194 1.00 15.95 ? ? ? ? ? ? 103 ILE H CG1 1 -ATOM 1020 C CG2 . ILE B 2 100 ? 24.300 -0.104 23.090 1.00 18.44 ? ? ? ? ? ? 103 ILE H CG2 1 -ATOM 1021 C CD1 . ILE B 2 100 ? 21.874 2.099 23.293 1.00 17.28 ? ? ? ? ? ? 103 ILE H CD1 1 -ATOM 1022 N N . ALA B 2 101 ? 22.984 -0.426 19.379 1.00 17.63 ? ? ? ? ? ? 104 ALA H N 1 -ATOM 1023 C CA . ALA B 2 101 ? 23.749 0.013 18.214 1.00 17.83 ? ? ? ? ? ? 104 ALA H CA 1 -ATOM 1024 C C . ALA B 2 101 ? 23.130 1.284 17.635 1.00 19.68 ? ? ? ? ? ? 104 ALA H C 1 -ATOM 1025 O O . ALA B 2 101 ? 21.886 1.407 17.818 1.00 19.84 ? ? ? ? ? ? 104 ALA H O 1 -ATOM 1026 C CB . ALA B 2 101 ? 23.832 -1.106 17.159 1.00 18.81 ? ? ? ? ? ? 104 ALA H CB 1 -ATOM 1027 N N . LEU B 2 102 ? 23.937 2.160 17.078 1.00 20.61 ? ? ? ? ? ? 105 LEU H N 1 -ATOM 1028 C CA . LEU B 2 102 ? 23.484 3.386 16.393 1.00 22.25 ? ? ? ? ? ? 105 LEU H CA 1 -ATOM 1029 C C . LEU B 2 102 ? 23.746 3.240 14.886 1.00 23.63 ? ? ? ? ? ? 105 LEU H C 1 -ATOM 1030 O O . LEU B 2 102 ? 24.729 2.583 14.508 1.00 24.34 ? ? ? ? ? ? 105 LEU H O 1 -ATOM 1031 C CB . LEU B 2 102 ? 24.149 4.653 16.911 1.00 22.30 ? ? ? ? ? ? 105 LEU H CB 1 -ATOM 1032 C CG . LEU B 2 102 ? 23.576 5.174 18.204 1.00 24.32 ? ? ? ? ? ? 105 LEU H CG 1 -ATOM 1033 C CD1 . LEU B 2 102 ? 24.643 6.087 18.817 1.00 27.08 ? ? ? ? ? ? 105 LEU H CD1 1 -ATOM 1034 C CD2 . LEU B 2 102 ? 22.275 5.964 18.015 1.00 25.13 ? ? ? ? ? ? 105 LEU H CD2 1 -ATOM 1035 N N . MET B 2 103 ? 22.846 3.824 14.095 1.00 23.96 ? ? ? ? ? ? 106 MET H N 1 -ATOM 1036 C CA . MET B 2 103 ? 22.922 3.780 12.630 1.00 24.06 ? ? ? ? ? ? 106 MET H CA 1 -ATOM 1037 C C . MET B 2 103 ? 22.648 5.226 12.178 1.00 23.97 ? ? ? ? ? ? 106 MET H C 1 -ATOM 1038 O O . MET B 2 103 ? 21.679 5.805 12.640 1.00 23.67 ? ? ? ? ? ? 106 MET H O 1 -ATOM 1039 C CB . MET B 2 103 ? 21.941 2.810 11.974 1.00 22.57 ? ? ? ? ? ? 106 MET H CB 1 -ATOM 1040 C CG . MET B 2 103 ? 22.174 1.438 12.570 1.00 24.53 ? ? ? ? ? ? 106 MET H CG 1 -ATOM 1041 S SD . MET B 2 103 ? 21.012 0.304 11.771 1.00 31.87 ? ? ? ? ? ? 106 MET H SD 1 -ATOM 1042 C CE . MET B 2 103 ? 19.469 0.914 12.401 1.00 28.05 ? ? ? ? ? ? 106 MET H CE 1 -ATOM 1043 N N . LYS B 2 104 ? 23.547 5.710 11.397 1.00 25.42 ? ? ? ? ? ? 107 LYS H N 1 -ATOM 1044 C CA . LYS B 2 104 ? 23.578 7.038 10.762 1.00 25.27 ? ? ? ? ? ? 107 LYS H CA 1 -ATOM 1045 C C . LYS B 2 104 ? 23.031 6.900 9.319 1.00 24.71 ? ? ? ? ? ? 107 LYS H C 1 -ATOM 1046 O O . LYS B 2 104 ? 23.600 6.148 8.514 1.00 23.10 ? ? ? ? ? ? 107 LYS H O 1 -ATOM 1047 C CB . LYS B 2 104 ? 24.992 7.592 10.617 1.00 24.77 ? ? ? ? ? ? 107 LYS H CB 1 -ATOM 1048 C CG . LYS B 2 104 ? 24.954 9.120 10.442 1.00 26.17 ? ? ? ? ? ? 107 LYS H CG 1 -ATOM 1049 C CD . LYS B 2 104 ? 26.291 9.653 9.974 1.00 28.67 ? ? ? ? ? ? 107 LYS H CD 1 -ATOM 1050 C CE . LYS B 2 104 ? 26.317 11.169 10.203 1.00 33.16 ? ? ? ? ? ? 107 LYS H CE 1 -ATOM 1051 N NZ . LYS B 2 104 ? 27.441 11.786 9.448 1.00 36.62 ? ? ? ? ? ? 107 LYS H NZ 1 -ATOM 1052 N N . LEU B 2 105 ? 21.996 7.682 9.106 1.00 25.18 ? ? ? ? ? ? 108 LEU H N 1 -ATOM 1053 C CA . LEU B 2 105 ? 21.334 7.672 7.776 1.00 27.65 ? ? ? ? ? ? 108 LEU H CA 1 -ATOM 1054 C C . LEU B 2 105 ? 22.206 8.386 6.760 1.00 28.35 ? ? ? ? ? ? 108 LEU H C 1 -ATOM 1055 O O . LEU B 2 105 ? 22.818 9.377 7.139 1.00 28.95 ? ? ? ? ? ? 108 LEU H O 1 -ATOM 1056 C CB . LEU B 2 105 ? 19.940 8.257 7.982 1.00 28.04 ? ? ? ? ? ? 108 LEU H CB 1 -ATOM 1057 C CG . LEU B 2 105 ? 18.932 7.556 8.885 1.00 26.43 ? ? ? ? ? ? 108 LEU H CG 1 -ATOM 1058 C CD1 . LEU B 2 105 ? 17.518 8.004 8.601 1.00 24.76 ? ? ? ? ? ? 108 LEU H CD1 1 -ATOM 1059 C CD2 . LEU B 2 105 ? 19.054 6.046 8.662 1.00 27.63 ? ? ? ? ? ? 108 LEU H CD2 1 -ATOM 1060 N N . LYS B 2 106 ? 22.188 7.939 5.518 1.00 30.80 ? ? ? ? ? ? 109 LYS H N 1 -ATOM 1061 C CA . LYS B 2 106 ? 22.993 8.615 4.468 1.00 32.22 ? ? ? ? ? ? 109 LYS H CA 1 -ATOM 1062 C C . LYS B 2 106 ? 22.532 10.050 4.265 1.00 32.65 ? ? ? ? ? ? 109 LYS H C 1 -ATOM 1063 O O . LYS B 2 106 ? 23.362 10.957 4.135 1.00 31.99 ? ? ? ? ? ? 109 LYS H O 1 -ATOM 1064 C CB . LYS B 2 106 ? 22.996 7.821 3.186 1.00 37.23 ? ? ? ? ? ? 109 LYS H CB 1 -ATOM 1065 C CG . LYS B 2 106 ? 24.344 7.164 2.884 1.00 40.97 ? ? ? ? ? ? 109 LYS H CG 1 -ATOM 1066 C CD . LYS B 2 106 ? 24.186 6.070 1.829 1.00 46.72 ? ? ? ? ? ? 109 LYS H CD 1 -ATOM 1067 C CE . LYS B 2 106 ? 25.378 6.005 0.908 1.00 50.00 ? ? ? ? ? ? 109 LYS H CE 1 -ATOM 1068 N NZ . LYS B 2 106 ? 26.641 6.405 1.648 1.00 50.00 ? ? ? ? ? ? 109 LYS H NZ 1 -ATOM 1069 N N . LYS B 2 107 ? 21.234 10.290 4.406 1.00 33.39 ? ? ? ? ? ? 110 LYS H N 1 -ATOM 1070 C CA . LYS B 2 107 ? 20.643 11.640 4.345 1.00 33.34 ? ? ? ? ? ? 110 LYS H CA 1 -ATOM 1071 C C . LYS B 2 107 ? 19.540 11.727 5.410 1.00 32.67 ? ? ? ? ? ? 110 LYS H C 1 -ATOM 1072 O O . LYS B 2 107 ? 18.874 10.723 5.630 1.00 32.96 ? ? ? ? ? ? 110 LYS H O 1 -ATOM 1073 C CB . LYS B 2 107 ? 20.032 11.981 2.992 1.00 33.39 ? ? ? ? ? ? 110 LYS H CB 1 -ATOM 1074 N N . PRO B 2 108 ? 19.386 12.934 5.914 1.00 32.59 ? ? ? ? ? ? 111 PRO H N 1 -ATOM 1075 C CA . PRO B 2 108 ? 18.350 13.255 6.877 1.00 32.87 ? ? ? ? ? ? 111 PRO H CA 1 -ATOM 1076 C C . PRO B 2 108 ? 16.983 12.949 6.272 1.00 33.45 ? ? ? ? ? ? 111 PRO H C 1 -ATOM 1077 O O . PRO B 2 108 ? 16.709 13.157 5.043 1.00 34.42 ? ? ? ? ? ? 111 PRO H O 1 -ATOM 1078 C CB . PRO B 2 108 ? 18.484 14.730 7.178 1.00 32.49 ? ? ? ? ? ? 111 PRO H CB 1 -ATOM 1079 C CG . PRO B 2 108 ? 19.605 15.247 6.358 1.00 32.73 ? ? ? ? ? ? 111 PRO H CG 1 -ATOM 1080 C CD . PRO B 2 108 ? 20.193 14.103 5.577 1.00 32.79 ? ? ? ? ? ? 111 PRO H CD 1 -ATOM 1081 N N . VAL B 2 109 ? 16.141 12.465 7.170 1.00 31.86 ? ? ? ? ? ? 112 VAL H N 1 -ATOM 1082 C CA . VAL B 2 109 ? 14.762 12.133 6.688 1.00 31.23 ? ? ? ? ? ? 112 VAL H CA 1 -ATOM 1083 C C . VAL B 2 109 ? 13.959 13.379 7.108 1.00 30.82 ? ? ? ? ? ? 112 VAL H C 1 -ATOM 1084 O O . VAL B 2 109 ? 14.244 14.067 8.113 1.00 30.56 ? ? ? ? ? ? 112 VAL H O 1 -ATOM 1085 C CB . VAL B 2 109 ? 14.254 10.806 7.274 1.00 32.21 ? ? ? ? ? ? 112 VAL H CB 1 -ATOM 1086 C CG1 . VAL B 2 109 ? 14.135 10.913 8.803 1.00 32.49 ? ? ? ? ? ? 112 VAL H CG1 1 -ATOM 1087 C CG2 . VAL B 2 109 ? 12.910 10.297 6.743 1.00 32.21 ? ? ? ? ? ? 112 VAL H CG2 1 -ATOM 1088 N N . ALA B 2 110 ? 12.947 13.620 6.295 1.00 30.59 ? ? ? ? ? ? 113 ALA H N 1 -ATOM 1089 C CA . ALA B 2 110 ? 11.993 14.712 6.545 1.00 29.38 ? ? ? ? ? ? 113 ALA H CA 1 -ATOM 1090 C C . ALA B 2 110 ? 10.858 14.123 7.382 1.00 27.80 ? ? ? ? ? ? 113 ALA H C 1 -ATOM 1091 O O . ALA B 2 110 ? 10.380 13.024 7.055 1.00 28.97 ? ? ? ? ? ? 113 ALA H O 1 -ATOM 1092 C CB . ALA B 2 110 ? 11.461 15.133 5.149 1.00 32.40 ? ? ? ? ? ? 113 ALA H CB 1 -ATOM 1093 N N . PHE B 2 111 ? 10.486 14.828 8.400 1.00 25.90 ? ? ? ? ? ? 114 PHE H N 1 -ATOM 1094 C CA . PHE B 2 111 ? 9.402 14.520 9.331 1.00 24.51 ? ? ? ? ? ? 114 PHE H CA 1 -ATOM 1095 C C . PHE B 2 111 ? 8.066 14.804 8.635 1.00 24.75 ? ? ? ? ? ? 114 PHE H C 1 -ATOM 1096 O O . PHE B 2 111 ? 8.017 15.612 7.684 1.00 24.88 ? ? ? ? ? ? 114 PHE H O 1 -ATOM 1097 C CB . PHE B 2 111 ? 9.537 15.225 10.679 1.00 23.07 ? ? ? ? ? ? 114 PHE H CB 1 -ATOM 1098 C CG . PHE B 2 111 ? 10.857 14.981 11.344 1.00 21.96 ? ? ? ? ? ? 114 PHE H CG 1 -ATOM 1099 C CD1 . PHE B 2 111 ? 11.619 13.876 10.992 1.00 24.01 ? ? ? ? ? ? 114 PHE H CD1 1 -ATOM 1100 C CD2 . PHE B 2 111 ? 11.325 15.834 12.340 1.00 23.49 ? ? ? ? ? ? 114 PHE H CD2 1 -ATOM 1101 C CE1 . PHE B 2 111 ? 12.875 13.605 11.543 1.00 24.96 ? ? ? ? ? ? 114 PHE H CE1 1 -ATOM 1102 C CE2 . PHE B 2 111 ? 12.585 15.581 12.930 1.00 23.80 ? ? ? ? ? ? 114 PHE H CE2 1 -ATOM 1103 C CZ . PHE B 2 111 ? 13.361 14.480 12.502 1.00 23.09 ? ? ? ? ? ? 114 PHE H CZ 1 -ATOM 1104 N N . SER B 2 112 ? 7.035 14.137 9.113 1.00 24.07 ? ? ? ? ? ? 115 SER H N 1 -ATOM 1105 C CA . SER B 2 112 ? 5.671 14.160 8.516 1.00 23.40 ? ? ? ? ? ? 115 SER H CA 1 -ATOM 1106 C C . SER B 2 112 ? 4.738 13.726 9.648 1.00 23.06 ? ? ? ? ? ? 115 SER H C 1 -ATOM 1107 O O . SER B 2 112 ? 5.222 13.555 10.783 1.00 23.18 ? ? ? ? ? ? 115 SER H O 1 -ATOM 1108 C CB . SER B 2 112 ? 5.537 13.213 7.349 1.00 23.88 ? ? ? ? ? ? 115 SER H CB 1 -ATOM 1109 O OG . SER B 2 112 ? 5.458 11.842 7.710 1.00 21.80 ? ? ? ? ? ? 115 SER H OG 1 -ATOM 1110 N N . ASP B 2 113 ? 3.497 13.520 9.314 1.00 21.28 ? ? ? ? ? ? 116 ASP H N 1 -ATOM 1111 C CA . ASP B 2 113 ? 2.536 13.079 10.294 1.00 20.82 ? ? ? ? ? ? 116 ASP H CA 1 -ATOM 1112 C C . ASP B 2 113 ? 2.902 11.633 10.655 1.00 19.71 ? ? ? ? ? ? 116 ASP H C 1 -ATOM 1113 O O . ASP B 2 113 ? 2.306 11.222 11.669 1.00 21.24 ? ? ? ? ? ? 116 ASP H O 1 -ATOM 1114 C CB . ASP B 2 113 ? 1.140 13.027 9.667 1.00 25.31 ? ? ? ? ? ? 116 ASP H CB 1 -ATOM 1115 C CG . ASP B 2 113 ? 0.393 14.340 9.510 1.00 30.97 ? ? ? ? ? ? 116 ASP H CG 1 -ATOM 1116 O OD1 . ASP B 2 113 ? 0.798 15.338 10.121 1.00 28.80 ? ? ? ? ? ? 116 ASP H OD1 1 -ATOM 1117 O OD2 . ASP B 2 113 ? -0.693 14.391 8.859 1.00 33.89 ? ? ? ? ? ? 116 ASP H OD2 1 -ATOM 1118 N N . TYR B 2 114 ? 3.634 10.935 9.826 1.00 18.68 ? ? ? ? ? ? 117 TYR H N 1 -ATOM 1119 C CA . TYR B 2 114 ? 3.893 9.534 10.125 1.00 19.42 ? ? ? ? ? ? 117 TYR H CA 1 -ATOM 1120 C C . TYR B 2 114 ? 5.337 9.229 10.613 1.00 19.77 ? ? ? ? ? ? 117 TYR H C 1 -ATOM 1121 O O . TYR B 2 114 ? 5.576 8.038 10.874 1.00 19.07 ? ? ? ? ? ? 117 TYR H O 1 -ATOM 1122 C CB . TYR B 2 114 ? 3.624 8.665 8.864 1.00 20.83 ? ? ? ? ? ? 117 TYR H CB 1 -ATOM 1123 C CG . TYR B 2 114 ? 2.283 9.049 8.240 1.00 21.06 ? ? ? ? ? ? 117 TYR H CG 1 -ATOM 1124 C CD1 . TYR B 2 114 ? 1.093 8.611 8.780 1.00 19.71 ? ? ? ? ? ? 117 TYR H CD1 1 -ATOM 1125 C CD2 . TYR B 2 114 ? 2.280 9.857 7.085 1.00 24.07 ? ? ? ? ? ? 117 TYR H CD2 1 -ATOM 1126 C CE1 . TYR B 2 114 ? -0.138 9.012 8.241 1.00 22.17 ? ? ? ? ? ? 117 TYR H CE1 1 -ATOM 1127 C CE2 . TYR B 2 114 ? 1.053 10.234 6.495 1.00 23.15 ? ? ? ? ? ? 117 TYR H CE2 1 -ATOM 1128 C CZ . TYR B 2 114 ? -0.125 9.797 7.087 1.00 22.96 ? ? ? ? ? ? 117 TYR H CZ 1 -ATOM 1129 O OH . TYR B 2 114 ? -1.369 10.220 6.654 1.00 28.07 ? ? ? ? ? ? 117 TYR H OH 1 -ATOM 1130 N N . ILE B 2 115 ? 6.159 10.239 10.522 1.00 20.05 ? ? ? ? ? ? 118 ILE H N 1 -ATOM 1131 C CA . ILE B 2 115 ? 7.616 10.188 10.760 1.00 20.03 ? ? ? ? ? ? 118 ILE H CA 1 -ATOM 1132 C C . ILE B 2 115 ? 8.001 11.269 11.763 1.00 19.34 ? ? ? ? ? ? 118 ILE H C 1 -ATOM 1133 O O . ILE B 2 115 ? 8.029 12.442 11.358 1.00 19.39 ? ? ? ? ? ? 118 ILE H O 1 -ATOM 1134 C CB . ILE B 2 115 ? 8.423 10.296 9.418 1.00 20.16 ? ? ? ? ? ? 118 ILE H CB 1 -ATOM 1135 C CG1 . ILE B 2 115 ? 7.954 9.159 8.457 1.00 18.17 ? ? ? ? ? ? 118 ILE H CG1 1 -ATOM 1136 C CG2 . ILE B 2 115 ? 9.961 10.236 9.697 1.00 19.35 ? ? ? ? ? ? 118 ILE H CG2 1 -ATOM 1137 C CD1 . ILE B 2 115 ? 8.654 9.077 7.104 1.00 16.74 ? ? ? ? ? ? 118 ILE H CD1 1 -ATOM 1138 N N . HIS B 2 116 ? 8.347 10.917 13.005 1.00 18.46 ? ? ? ? ? ? 119 HIS H N 1 -ATOM 1139 C CA . HIS B 2 116 ? 8.668 11.907 14.039 1.00 17.63 ? ? ? ? ? ? 119 HIS H CA 1 -ATOM 1140 C C . HIS B 2 116 ? 9.611 11.221 15.066 1.00 18.35 ? ? ? ? ? ? 119 HIS H C 1 -ATOM 1141 O O . HIS B 2 116 ? 9.321 10.052 15.382 1.00 18.75 ? ? ? ? ? ? 119 HIS H O 1 -ATOM 1142 C CB . HIS B 2 116 ? 7.306 12.333 14.656 1.00 18.78 ? ? ? ? ? ? 119 HIS H CB 1 -ATOM 1143 C CG . HIS B 2 116 ? 7.461 13.666 15.322 1.00 22.56 ? ? ? ? ? ? 119 HIS H CG 1 -ATOM 1144 N ND1 . HIS B 2 116 ? 7.645 14.841 14.623 1.00 21.67 ? ? ? ? ? ? 119 HIS H ND1 1 -ATOM 1145 C CD2 . HIS B 2 116 ? 7.672 13.987 16.631 1.00 23.51 ? ? ? ? ? ? 119 HIS H CD2 1 -ATOM 1146 C CE1 . HIS B 2 116 ? 7.894 15.829 15.468 1.00 22.39 ? ? ? ? ? ? 119 HIS H CE1 1 -ATOM 1147 N NE2 . HIS B 2 116 ? 7.930 15.322 16.684 1.00 21.87 ? ? ? ? ? ? 119 HIS H NE2 1 -ATOM 1148 N N . PRO B 2 117 ? 10.647 11.881 15.609 1.00 18.18 ? ? ? ? ? ? 120 PRO H N 1 -ATOM 1149 C CA . PRO B 2 117 ? 11.596 11.246 16.529 1.00 17.38 ? ? ? ? ? ? 120 PRO H CA 1 -ATOM 1150 C C . PRO B 2 117 ? 11.028 11.148 17.948 1.00 17.97 ? ? ? ? ? ? 120 PRO H C 1 -ATOM 1151 O O . PRO B 2 117 ? 10.170 11.955 18.368 1.00 18.12 ? ? ? ? ? ? 120 PRO H O 1 -ATOM 1152 C CB . PRO B 2 117 ? 12.808 12.183 16.506 1.00 17.95 ? ? ? ? ? ? 120 PRO H CB 1 -ATOM 1153 C CG . PRO B 2 117 ? 12.333 13.501 15.960 1.00 18.14 ? ? ? ? ? ? 120 PRO H CG 1 -ATOM 1154 C CD . PRO B 2 117 ? 10.964 13.285 15.346 1.00 17.72 ? ? ? ? ? ? 120 PRO H CD 1 -ATOM 1155 N N . VAL B 2 118 ? 11.454 10.105 18.694 1.00 17.09 ? ? ? ? ? ? 121 VAL H N 1 -ATOM 1156 C CA . VAL B 2 118 ? 11.026 9.922 20.119 1.00 17.32 ? ? ? ? ? ? 121 VAL H CA 1 -ATOM 1157 C C . VAL B 2 118 ? 12.118 10.653 20.942 1.00 16.51 ? ? ? ? ? ? 121 VAL H C 1 -ATOM 1158 O O . VAL B 2 118 ? 13.205 10.744 20.377 1.00 15.43 ? ? ? ? ? ? 121 VAL H O 1 -ATOM 1159 C CB . VAL B 2 118 ? 10.966 8.408 20.476 1.00 15.51 ? ? ? ? ? ? 121 VAL H CB 1 -ATOM 1160 C CG1 . VAL B 2 118 ? 12.321 7.730 20.366 1.00 12.71 ? ? ? ? ? ? 121 VAL H CG1 1 -ATOM 1161 C CG2 . VAL B 2 118 ? 10.208 8.088 21.750 1.00 16.23 ? ? ? ? ? ? 121 VAL H CG2 1 -ATOM 1162 N N . CYS B 2 119 ? 11.876 10.999 22.179 1.00 17.06 ? ? ? ? ? ? 122 CYS H N 1 -ATOM 1163 C CA . CYS B 2 119 ? 12.934 11.602 23.010 1.00 18.12 ? ? ? ? ? ? 122 CYS H CA 1 -ATOM 1164 C C . CYS B 2 119 ? 13.793 10.523 23.710 1.00 17.69 ? ? ? ? ? ? 122 CYS H C 1 -ATOM 1165 O O . CYS B 2 119 ? 13.278 9.475 24.085 1.00 18.59 ? ? ? ? ? ? 122 CYS H O 1 -ATOM 1166 C CB . CYS B 2 119 ? 12.267 12.401 24.154 1.00 17.89 ? ? ? ? ? ? 122 CYS H CB 1 -ATOM 1167 S SG . CYS B 2 119 ? 11.085 13.678 23.572 1.00 18.27 ? ? ? ? ? ? 122 CYS H SG 1 -ATOM 1168 N N . LEU B 2 120 ? 15.006 10.896 24.078 1.00 19.79 ? ? ? ? ? ? 123 LEU H N 1 -ATOM 1169 C CA . LEU B 2 120 ? 15.925 10.014 24.897 1.00 19.66 ? ? ? ? ? ? 123 LEU H CA 1 -ATOM 1170 C C . LEU B 2 120 ? 15.781 10.520 26.329 1.00 20.84 ? ? ? ? ? ? 123 LEU H C 1 -ATOM 1171 O O . LEU B 2 120 ? 15.589 11.724 26.587 1.00 20.41 ? ? ? ? ? ? 123 LEU H O 1 -ATOM 1172 C CB . LEU B 2 120 ? 17.326 10.099 24.362 1.00 21.57 ? ? ? ? ? ? 123 LEU H CB 1 -ATOM 1173 C CG . LEU B 2 120 ? 17.748 9.497 23.047 1.00 25.20 ? ? ? ? ? ? 123 LEU H CG 1 -ATOM 1174 C CD1 . LEU B 2 120 ? 19.252 9.537 22.962 1.00 25.79 ? ? ? ? ? ? 123 LEU H CD1 1 -ATOM 1175 C CD2 . LEU B 2 120 ? 17.241 8.059 22.943 1.00 28.21 ? ? ? ? ? ? 123 LEU H CD2 1 -ATOM 1176 N N . PRO B 2 121 ? 15.648 9.602 27.300 1.00 21.50 ? ? ? ? ? ? 124 PRO H N 1 -ATOM 1177 C CA . PRO B 2 121 ? 15.382 10.049 28.663 1.00 22.67 ? ? ? ? ? ? 124 PRO H CA 1 -ATOM 1178 C C . PRO B 2 121 ? 16.577 10.827 29.265 1.00 23.90 ? ? ? ? ? ? 124 PRO H C 1 -ATOM 1179 O O . PRO B 2 121 ? 17.752 10.539 28.970 1.00 23.74 ? ? ? ? ? ? 124 PRO H O 1 -ATOM 1180 C CB . PRO B 2 121 ? 15.221 8.700 29.397 1.00 21.96 ? ? ? ? ? ? 124 PRO H CB 1 -ATOM 1181 C CG . PRO B 2 121 ? 15.775 7.640 28.530 1.00 21.68 ? ? ? ? ? ? 124 PRO H CG 1 -ATOM 1182 C CD . PRO B 2 121 ? 15.970 8.181 27.140 1.00 21.05 ? ? ? ? ? ? 124 PRO H CD 1 -ATOM 1183 N N . ASP B 2 122 ? 16.245 11.708 30.181 1.00 25.37 ? ? ? ? ? ? 125 ASP H N 1 -ATOM 1184 C CA . ASP B 2 122 ? 17.169 12.432 31.081 1.00 27.26 ? ? ? ? ? ? 125 ASP H CA 1 -ATOM 1185 C C . ASP B 2 122 ? 17.210 11.577 32.370 1.00 27.80 ? ? ? ? ? ? 125 ASP H C 1 -ATOM 1186 O O . ASP B 2 122 ? 16.333 10.743 32.698 1.00 26.25 ? ? ? ? ? ? 125 ASP H O 1 -ATOM 1187 C CB . ASP B 2 122 ? 16.609 13.849 31.392 1.00 27.82 ? ? ? ? ? ? 125 ASP H CB 1 -ATOM 1188 N N . ARG B 2 123 ? 18.258 11.866 33.160 1.00 29.59 ? ? ? ? ? ? 126 ARG H N 1 -ATOM 1189 C CA . ARG B 2 123 ? 18.423 11.172 34.454 1.00 29.43 ? ? ? ? ? ? 126 ARG H CA 1 -ATOM 1190 C C . ARG B 2 123 ? 17.172 11.251 35.274 1.00 28.83 ? ? ? ? ? ? 126 ARG H C 1 -ATOM 1191 O O . ARG B 2 123 ? 16.785 10.286 35.943 1.00 30.28 ? ? ? ? ? ? 126 ARG H O 1 -ATOM 1192 C CB . ARG B 2 123 ? 19.609 11.744 35.270 1.00 34.98 ? ? ? ? ? ? 126 ARG H CB 1 -ATOM 1193 C CG . ARG B 2 123 ? 19.871 10.964 36.555 1.00 42.07 ? ? ? ? ? ? 126 ARG H CG 1 -ATOM 1194 C CD . ARG B 2 123 ? 21.004 11.460 37.401 1.00 47.24 ? ? ? ? ? ? 126 ARG H CD 1 -ATOM 1195 N NE . ARG B 2 123 ? 20.887 12.863 37.852 1.00 50.00 ? ? ? ? ? ? 126 ARG H NE 1 -ATOM 1196 C CZ . ARG B 2 123 ? 21.244 13.864 37.006 1.00 50.00 ? ? ? ? ? ? 126 ARG H CZ 1 -ATOM 1197 N NH1 . ARG B 2 123 ? 21.749 13.571 35.795 1.00 50.00 ? ? ? ? ? ? 126 ARG H NH1 1 -ATOM 1198 N NH2 . ARG B 2 123 ? 20.956 15.151 37.261 1.00 50.00 ? ? ? ? ? ? 126 ARG H NH2 1 -ATOM 1199 N N . GLU B 2 124 ? 16.496 12.374 35.343 1.00 28.78 ? ? ? ? ? ? 127 GLU H N 1 -ATOM 1200 C CA . GLU B 2 124 ? 15.324 12.505 36.231 1.00 29.13 ? ? ? ? ? ? 127 GLU H CA 1 -ATOM 1201 C C . GLU B 2 124 ? 14.065 11.870 35.651 1.00 29.43 ? ? ? ? ? ? 127 GLU H C 1 -ATOM 1202 O O . GLU B 2 124 ? 13.138 11.342 36.352 1.00 28.03 ? ? ? ? ? ? 127 GLU H O 1 -ATOM 1203 C CB . GLU B 2 124 ? 15.203 13.962 36.639 1.00 35.85 ? ? ? ? ? ? 127 GLU H CB 1 -ATOM 1204 C CG . GLU B 2 124 ? 15.924 15.065 35.877 1.00 39.65 ? ? ? ? ? ? 127 GLU H CG 1 -ATOM 1205 C CD . GLU B 2 124 ? 17.415 15.122 35.746 1.00 41.98 ? ? ? ? ? ? 127 GLU H CD 1 -ATOM 1206 O OE1 . GLU B 2 124 ? 18.189 15.075 36.702 1.00 42.77 ? ? ? ? ? ? 127 GLU H OE1 1 -ATOM 1207 O OE2 . GLU B 2 124 ? 17.804 15.186 34.543 1.00 40.86 ? ? ? ? ? ? 127 GLU H OE2 1 -ATOM 1208 N N . THR B 2 125 ? 14.080 11.827 34.296 1.00 28.20 ? ? ? ? ? ? 128 THR H N 1 -ATOM 1209 C CA . THR B 2 125 ? 12.932 11.165 33.634 1.00 29.29 ? ? ? ? ? ? 128 THR H CA 1 -ATOM 1210 C C . THR B 2 125 ? 13.019 9.651 33.939 1.00 27.54 ? ? ? ? ? ? 128 THR H C 1 -ATOM 1211 O O . THR B 2 125 ? 12.035 9.022 34.354 1.00 28.95 ? ? ? ? ? ? 128 THR H O 1 -ATOM 1212 C CB . THR B 2 125 ? 12.870 11.426 32.075 1.00 31.77 ? ? ? ? ? ? 128 THR H CB 1 -ATOM 1213 O OG1 . THR B 2 125 ? 12.476 12.846 31.915 1.00 32.48 ? ? ? ? ? ? 128 THR H OG1 1 -ATOM 1214 C CG2 . THR B 2 125 ? 11.850 10.465 31.433 1.00 30.01 ? ? ? ? ? ? 128 THR H CG2 1 -ATOM 1215 N N . ALA B 2 126 ? 14.210 9.127 33.799 1.00 26.93 ? ? ? ? ? ? 129 ALA H N 1 -ATOM 1216 C CA . ALA B 2 126 ? 14.515 7.717 34.081 1.00 27.08 ? ? ? ? ? ? 129 ALA H CA 1 -ATOM 1217 C C . ALA B 2 126 ? 14.169 7.421 35.532 1.00 28.22 ? ? ? ? ? ? 129 ALA H C 1 -ATOM 1218 O O . ALA B 2 126 ? 13.325 6.581 35.913 1.00 28.27 ? ? ? ? ? ? 129 ALA H O 1 -ATOM 1219 C CB . ALA B 2 126 ? 15.942 7.447 33.602 1.00 23.72 ? ? ? ? ? ? 129 ALA H CB 1 -ATOM 1220 N N . ALA B 2 127 A 14.660 8.300 36.414 1.00 28.32 ? ? ? ? ? ? 129 ALA H N 1 -ATOM 1221 C CA . ALA B 2 127 A 14.449 8.118 37.861 1.00 28.08 ? ? ? ? ? ? 129 ALA H CA 1 -ATOM 1222 C C . ALA B 2 127 A 12.982 7.949 38.147 1.00 27.96 ? ? ? ? ? ? 129 ALA H C 1 -ATOM 1223 O O . ALA B 2 127 A 12.449 7.079 38.829 1.00 28.66 ? ? ? ? ? ? 129 ALA H O 1 -ATOM 1224 C CB . ALA B 2 127 A 15.082 9.286 38.626 1.00 27.35 ? ? ? ? ? ? 129 ALA H CB 1 -ATOM 1225 N N . SER B 2 128 B 12.255 8.937 37.657 1.00 27.51 ? ? ? ? ? ? 129 SER H N 1 -ATOM 1226 C CA . SER B 2 128 B 10.823 9.015 37.816 1.00 27.74 ? ? ? ? ? ? 129 SER H CA 1 -ATOM 1227 C C . SER B 2 128 B 9.975 7.892 37.207 1.00 27.30 ? ? ? ? ? ? 129 SER H C 1 -ATOM 1228 O O . SER B 2 128 B 9.043 7.430 37.883 1.00 26.74 ? ? ? ? ? ? 129 SER H O 1 -ATOM 1229 C CB . SER B 2 128 B 10.494 10.332 37.047 1.00 32.01 ? ? ? ? ? ? 129 SER H CB 1 -ATOM 1230 O OG . SER B 2 128 B 9.464 10.911 37.831 1.00 38.41 ? ? ? ? ? ? 129 SER H OG 1 -ATOM 1231 N N . LEU B 2 129 C 10.312 7.452 36.001 1.00 25.36 ? ? ? ? ? ? 129 LEU H N 1 -ATOM 1232 C CA . LEU B 2 129 C 9.396 6.516 35.308 1.00 25.04 ? ? ? ? ? ? 129 LEU H CA 1 -ATOM 1233 C C . LEU B 2 129 C 9.778 5.066 35.411 1.00 23.70 ? ? ? ? ? ? 129 LEU H C 1 -ATOM 1234 O O . LEU B 2 129 C 8.923 4.193 35.288 1.00 23.76 ? ? ? ? ? ? 129 LEU H O 1 -ATOM 1235 C CB . LEU B 2 129 C 9.343 7.032 33.837 1.00 24.65 ? ? ? ? ? ? 129 LEU H CB 1 -ATOM 1236 C CG . LEU B 2 129 C 8.504 8.297 33.614 1.00 28.40 ? ? ? ? ? ? 129 LEU H CG 1 -ATOM 1237 C CD1 . LEU B 2 129 C 7.980 8.271 32.170 1.00 29.95 ? ? ? ? ? ? 129 LEU H CD1 1 -ATOM 1238 C CD2 . LEU B 2 129 C 7.296 8.294 34.515 1.00 27.13 ? ? ? ? ? ? 129 LEU H CD2 1 -ATOM 1239 N N . LEU B 2 130 ? 11.056 4.786 35.520 1.00 24.52 ? ? ? ? ? ? 130 LEU H N 1 -ATOM 1240 C CA . LEU B 2 130 ? 11.550 3.406 35.563 1.00 26.51 ? ? ? ? ? ? 130 LEU H CA 1 -ATOM 1241 C C . LEU B 2 130 ? 11.400 2.767 36.947 1.00 28.33 ? ? ? ? ? ? 130 LEU H C 1 -ATOM 1242 O O . LEU B 2 130 ? 12.418 2.531 37.620 1.00 29.12 ? ? ? ? ? ? 130 LEU H O 1 -ATOM 1243 C CB . LEU B 2 130 ? 12.982 3.454 35.059 1.00 28.13 ? ? ? ? ? ? 130 LEU H CB 1 -ATOM 1244 C CG . LEU B 2 130 ? 13.331 2.768 33.785 1.00 33.37 ? ? ? ? ? ? 130 LEU H CG 1 -ATOM 1245 C CD1 . LEU B 2 130 ? 14.811 2.348 33.793 1.00 33.92 ? ? ? ? ? ? 130 LEU H CD1 1 -ATOM 1246 C CD2 . LEU B 2 130 ? 12.480 1.510 33.593 1.00 31.91 ? ? ? ? ? ? 130 LEU H CD2 1 -ATOM 1247 N N . GLN B 2 131 ? 10.207 2.393 37.319 1.00 28.07 ? ? ? ? ? ? 131 GLN H N 1 -ATOM 1248 C CA . GLN B 2 131 ? 9.697 1.847 38.561 1.00 27.51 ? ? ? ? ? ? 131 GLN H CA 1 -ATOM 1249 C C . GLN B 2 131 ? 8.771 0.652 38.309 1.00 27.25 ? ? ? ? ? ? 131 GLN H C 1 -ATOM 1250 O O . GLN B 2 131 ? 7.908 0.678 37.407 1.00 25.88 ? ? ? ? ? ? 131 GLN H O 1 -ATOM 1251 C CB . GLN B 2 131 ? 8.846 2.920 39.251 1.00 27.91 ? ? ? ? ? ? 131 GLN H CB 1 -ATOM 1252 C CG . GLN B 2 131 ? 9.660 4.148 39.612 1.00 36.24 ? ? ? ? ? ? 131 GLN H CG 1 -ATOM 1253 C CD . GLN B 2 131 ? 8.987 4.795 40.806 1.00 42.97 ? ? ? ? ? ? 131 GLN H CD 1 -ATOM 1254 O OE1 . GLN B 2 131 ? 8.387 4.156 41.696 1.00 46.73 ? ? ? ? ? ? 131 GLN H OE1 1 -ATOM 1255 N NE2 . GLN B 2 131 ? 9.003 6.131 40.769 1.00 47.12 ? ? ? ? ? ? 131 GLN H NE2 1 -ATOM 1256 N N . ALA B 2 132 ? 8.919 -0.376 39.153 1.00 25.92 ? ? ? ? ? ? 132 ALA H N 1 -ATOM 1257 C CA . ALA B 2 132 ? 8.168 -1.620 39.056 1.00 25.33 ? ? ? ? ? ? 132 ALA H CA 1 -ATOM 1258 C C . ALA B 2 132 ? 6.686 -1.306 39.043 1.00 25.05 ? ? ? ? ? ? 132 ALA H C 1 -ATOM 1259 O O . ALA B 2 132 ? 6.348 -0.472 39.915 1.00 26.45 ? ? ? ? ? ? 132 ALA H O 1 -ATOM 1260 C CB . ALA B 2 132 ? 8.500 -2.532 40.243 1.00 24.10 ? ? ? ? ? ? 132 ALA H CB 1 -ATOM 1261 N N . GLY B 2 133 ? 5.910 -1.919 38.168 1.00 23.79 ? ? ? ? ? ? 133 GLY H N 1 -ATOM 1262 C CA . GLY B 2 133 ? 4.471 -1.704 38.135 1.00 23.70 ? ? ? ? ? ? 133 GLY H CA 1 -ATOM 1263 C C . GLY B 2 133 ? 4.053 -0.653 37.109 1.00 23.60 ? ? ? ? ? ? 133 GLY H C 1 -ATOM 1264 O O . GLY B 2 133 ? 2.929 -0.661 36.586 1.00 25.02 ? ? ? ? ? ? 133 GLY H O 1 -ATOM 1265 N N . TYR B 2 134 ? 4.918 0.304 36.838 1.00 23.21 ? ? ? ? ? ? 134 TYR H N 1 -ATOM 1266 C CA . TYR B 2 134 ? 4.631 1.324 35.823 1.00 21.71 ? ? ? ? ? ? 134 TYR H CA 1 -ATOM 1267 C C . TYR B 2 134 ? 4.668 0.610 34.458 1.00 21.72 ? ? ? ? ? ? 134 TYR H C 1 -ATOM 1268 O O . TYR B 2 134 ? 5.619 -0.136 34.167 1.00 20.24 ? ? ? ? ? ? 134 TYR H O 1 -ATOM 1269 C CB . TYR B 2 134 ? 5.647 2.467 35.816 1.00 22.38 ? ? ? ? ? ? 134 TYR H CB 1 -ATOM 1270 C CG . TYR B 2 134 ? 5.551 3.413 37.009 1.00 21.60 ? ? ? ? ? ? 134 TYR H CG 1 -ATOM 1271 C CD1 . TYR B 2 134 ? 4.884 3.065 38.171 1.00 22.91 ? ? ? ? ? ? 134 TYR H CD1 1 -ATOM 1272 C CD2 . TYR B 2 134 ? 6.158 4.666 36.908 1.00 24.53 ? ? ? ? ? ? 134 TYR H CD2 1 -ATOM 1273 C CE1 . TYR B 2 134 ? 4.792 3.969 39.238 1.00 24.97 ? ? ? ? ? ? 134 TYR H CE1 1 -ATOM 1274 C CE2 . TYR B 2 134 ? 6.069 5.608 37.918 1.00 24.28 ? ? ? ? ? ? 134 TYR H CE2 1 -ATOM 1275 C CZ . TYR B 2 134 ? 5.403 5.216 39.069 1.00 27.21 ? ? ? ? ? ? 134 TYR H CZ 1 -ATOM 1276 O OH . TYR B 2 134 ? 5.320 6.162 40.071 1.00 30.87 ? ? ? ? ? ? 134 TYR H OH 1 -ATOM 1277 N N . LYS B 2 135 ? 3.780 1.117 33.590 1.00 21.79 ? ? ? ? ? ? 135 LYS H N 1 -ATOM 1278 C CA . LYS B 2 135 ? 3.661 0.501 32.236 1.00 21.27 ? ? ? ? ? ? 135 LYS H CA 1 -ATOM 1279 C C . LYS B 2 135 ? 4.321 1.318 31.131 1.00 20.70 ? ? ? ? ? ? 135 LYS H C 1 -ATOM 1280 O O . LYS B 2 135 ? 4.256 2.551 31.132 1.00 20.44 ? ? ? ? ? ? 135 LYS H O 1 -ATOM 1281 C CB . LYS B 2 135 ? 2.192 0.195 31.842 1.00 20.87 ? ? ? ? ? ? 135 LYS H CB 1 -ATOM 1282 C CG . LYS B 2 135 ? 1.598 -0.931 32.706 1.00 21.30 ? ? ? ? ? ? 135 LYS H CG 1 -ATOM 1283 C CD . LYS B 2 135 ? 0.112 -1.085 32.456 1.00 25.12 ? ? ? ? ? ? 135 LYS H CD 1 -ATOM 1284 C CE . LYS B 2 135 ? -0.458 -2.162 33.373 1.00 27.61 ? ? ? ? ? ? 135 LYS H CE 1 -ATOM 1285 N NZ . LYS B 2 135 ? -1.940 -2.214 33.138 1.00 29.85 ? ? ? ? ? ? 135 LYS H NZ 1 -ATOM 1286 N N . GLY B 2 136 ? 4.944 0.556 30.234 1.00 18.14 ? ? ? ? ? ? 136 GLY H N 1 -ATOM 1287 C CA . GLY B 2 136 ? 5.567 1.068 29.023 1.00 17.28 ? ? ? ? ? ? 136 GLY H CA 1 -ATOM 1288 C C . GLY B 2 136 ? 4.880 0.384 27.805 1.00 17.51 ? ? ? ? ? ? 136 GLY H C 1 -ATOM 1289 O O . GLY B 2 136 ? 4.110 -0.580 27.975 1.00 18.99 ? ? ? ? ? ? 136 GLY H O 1 -ATOM 1290 N N . ARG B 2 137 ? 5.367 0.706 26.624 1.00 16.86 ? ? ? ? ? ? 137 ARG H N 1 -ATOM 1291 C CA . ARG B 2 137 ? 4.694 0.159 25.400 1.00 15.85 ? ? ? ? ? ? 137 ARG H CA 1 -ATOM 1292 C C . ARG B 2 137 ? 5.758 -0.325 24.470 1.00 15.07 ? ? ? ? ? ? 137 ARG H C 1 -ATOM 1293 O O . ARG B 2 137 ? 6.791 0.313 24.258 1.00 14.99 ? ? ? ? ? ? 137 ARG H O 1 -ATOM 1294 C CB . ARG B 2 137 ? 3.778 1.255 24.805 1.00 16.42 ? ? ? ? ? ? 137 ARG H CB 1 -ATOM 1295 C CG . ARG B 2 137 ? 3.284 0.969 23.365 1.00 12.14 ? ? ? ? ? ? 137 ARG H CG 1 -ATOM 1296 C CD . ARG B 2 137 ? 2.511 2.162 22.871 1.00 14.34 ? ? ? ? ? ? 137 ARG H CD 1 -ATOM 1297 N NE . ARG B 2 137 ? 1.270 2.414 23.516 1.00 17.22 ? ? ? ? ? ? 137 ARG H NE 1 -ATOM 1298 C CZ . ARG B 2 137 ? 0.422 3.437 23.266 1.00 18.42 ? ? ? ? ? ? 137 ARG H CZ 1 -ATOM 1299 N NH1 . ARG B 2 137 ? 0.649 4.476 22.477 1.00 16.25 ? ? ? ? ? ? 137 ARG H NH1 1 -ATOM 1300 N NH2 . ARG B 2 137 ? -0.758 3.440 23.845 1.00 15.23 ? ? ? ? ? ? 137 ARG H NH2 1 -ATOM 1301 N N . VAL B 2 138 ? 5.459 -1.464 23.806 1.00 15.11 ? ? ? ? ? ? 138 VAL H N 1 -ATOM 1302 C CA . VAL B 2 138 ? 6.363 -2.063 22.853 1.00 15.65 ? ? ? ? ? ? 138 VAL H CA 1 -ATOM 1303 C C . VAL B 2 138 ? 5.602 -2.181 21.518 1.00 15.24 ? ? ? ? ? ? 138 VAL H C 1 -ATOM 1304 O O . VAL B 2 138 ? 4.441 -2.593 21.649 1.00 16.91 ? ? ? ? ? ? 138 VAL H O 1 -ATOM 1305 C CB . VAL B 2 138 ? 6.882 -3.440 23.354 1.00 19.15 ? ? ? ? ? ? 138 VAL H CB 1 -ATOM 1306 C CG1 . VAL B 2 138 ? 8.034 -3.932 22.499 1.00 15.72 ? ? ? ? ? ? 138 VAL H CG1 1 -ATOM 1307 C CG2 . VAL B 2 138 ? 7.273 -3.247 24.827 1.00 19.13 ? ? ? ? ? ? 138 VAL H CG2 1 -ATOM 1308 N N . THR B 2 139 ? 6.380 -1.979 20.512 1.00 15.75 ? ? ? ? ? ? 139 THR H N 1 -ATOM 1309 C CA . THR B 2 139 ? 5.766 -2.039 19.162 1.00 16.81 ? ? ? ? ? ? 139 THR H CA 1 -ATOM 1310 C C . THR B 2 139 ? 6.597 -2.878 18.222 1.00 16.16 ? ? ? ? ? ? 139 THR H C 1 -ATOM 1311 O O . THR B 2 139 ? 7.848 -2.757 18.300 1.00 15.55 ? ? ? ? ? ? 139 THR H O 1 -ATOM 1312 C CB . THR B 2 139 ? 5.424 -0.617 18.540 1.00 14.81 ? ? ? ? ? ? 139 THR H CB 1 -ATOM 1313 O OG1 . THR B 2 139 ? 6.633 0.196 18.671 1.00 18.43 ? ? ? ? ? ? 139 THR H OG1 1 -ATOM 1314 C CG2 . THR B 2 139 ? 4.231 0.020 19.201 1.00 14.31 ? ? ? ? ? ? 139 THR H CG2 1 -ATOM 1315 N N . GLY B 2 140 ? 5.940 -3.513 17.226 1.00 15.42 ? ? ? ? ? ? 140 GLY H N 1 -ATOM 1316 C CA . GLY B 2 140 ? 6.707 -4.213 16.218 1.00 14.25 ? ? ? ? ? ? 140 GLY H CA 1 -ATOM 1317 C C . GLY B 2 140 ? 5.873 -5.114 15.303 1.00 15.79 ? ? ? ? ? ? 140 GLY H C 1 -ATOM 1318 O O . GLY B 2 140 ? 4.682 -5.317 15.503 1.00 16.47 ? ? ? ? ? ? 140 GLY H O 1 -ATOM 1319 N N . TRP B 2 141 ? 6.520 -5.525 14.241 1.00 17.92 ? ? ? ? ? ? 141 TRP H N 1 -ATOM 1320 C CA . TRP B 2 141 ? 5.911 -6.416 13.214 1.00 19.75 ? ? ? ? ? ? 141 TRP H CA 1 -ATOM 1321 C C . TRP B 2 141 ? 6.274 -7.883 13.448 1.00 21.50 ? ? ? ? ? ? 141 TRP H C 1 -ATOM 1322 O O . TRP B 2 141 ? 6.218 -8.595 12.435 1.00 21.30 ? ? ? ? ? ? 141 TRP H O 1 -ATOM 1323 C CB . TRP B 2 141 ? 6.436 -5.912 11.861 1.00 19.14 ? ? ? ? ? ? 141 TRP H CB 1 -ATOM 1324 C CG . TRP B 2 141 ? 5.881 -4.589 11.393 1.00 20.39 ? ? ? ? ? ? 141 TRP H CG 1 -ATOM 1325 C CD1 . TRP B 2 141 ? 4.595 -4.345 10.940 1.00 19.34 ? ? ? ? ? ? 141 TRP H CD1 1 -ATOM 1326 C CD2 . TRP B 2 141 ? 6.545 -3.327 11.486 1.00 18.20 ? ? ? ? ? ? 141 TRP H CD2 1 -ATOM 1327 N NE1 . TRP B 2 141 ? 4.470 -2.976 10.746 1.00 18.92 ? ? ? ? ? ? 141 TRP H NE1 1 -ATOM 1328 C CE2 . TRP B 2 141 ? 5.653 -2.355 11.002 1.00 20.13 ? ? ? ? ? ? 141 TRP H CE2 1 -ATOM 1329 C CE3 . TRP B 2 141 ? 7.840 -2.933 11.902 1.00 21.56 ? ? ? ? ? ? 141 TRP H CE3 1 -ATOM 1330 C CZ2 . TRP B 2 141 ? 6.058 -1.019 10.880 1.00 20.63 ? ? ? ? ? ? 141 TRP H CZ2 1 -ATOM 1331 C CZ3 . TRP B 2 141 ? 8.269 -1.615 11.744 1.00 19.90 ? ? ? ? ? ? 141 TRP H CZ3 1 -ATOM 1332 C CH2 . TRP B 2 141 ? 7.354 -0.676 11.198 1.00 22.27 ? ? ? ? ? ? 141 TRP H CH2 1 -ATOM 1333 N N . GLY B 2 142 ? 6.902 -8.258 14.562 1.00 22.22 ? ? ? ? ? ? 142 GLY H N 1 -ATOM 1334 C CA . GLY B 2 142 ? 7.356 -9.604 14.861 1.00 22.71 ? ? ? ? ? ? 142 GLY H CA 1 -ATOM 1335 C C . GLY B 2 142 ? 6.232 -10.620 15.020 1.00 24.80 ? ? ? ? ? ? 142 GLY H C 1 -ATOM 1336 O O . GLY B 2 142 ? 5.028 -10.300 14.925 1.00 24.93 ? ? ? ? ? ? 142 GLY H O 1 -ATOM 1337 N N . ASN B 2 143 ? 6.653 -11.876 15.255 1.00 25.27 ? ? ? ? ? ? 143 ASN H N 1 -ATOM 1338 C CA . ASN B 2 143 ? 5.749 -12.995 15.373 1.00 25.73 ? ? ? ? ? ? 143 ASN H CA 1 -ATOM 1339 C C . ASN B 2 143 ? 4.703 -12.730 16.430 1.00 25.82 ? ? ? ? ? ? 143 ASN H C 1 -ATOM 1340 O O . ASN B 2 143 ? 5.001 -12.170 17.503 1.00 25.05 ? ? ? ? ? ? 143 ASN H O 1 -ATOM 1341 C CB . ASN B 2 143 ? 6.448 -14.323 15.645 1.00 30.61 ? ? ? ? ? ? 143 ASN H CB 1 -ATOM 1342 C CG . ASN B 2 143 ? 7.259 -14.724 14.415 1.00 34.00 ? ? ? ? ? ? 143 ASN H CG 1 -ATOM 1343 O OD1 . ASN B 2 143 ? 7.388 -13.992 13.436 1.00 33.70 ? ? ? ? ? ? 143 ASN H OD1 1 -ATOM 1344 N ND2 . ASN B 2 143 ? 7.773 -15.939 14.618 1.00 39.24 ? ? ? ? ? ? 143 ASN H ND2 1 -ATOM 1345 N N . LEU B 2 144 ? 3.524 -13.281 16.078 1.00 25.38 ? ? ? ? ? ? 144 LEU H N 1 -ATOM 1346 C CA . LEU B 2 144 ? 2.379 -13.172 16.982 1.00 25.51 ? ? ? ? ? ? 144 LEU H CA 1 -ATOM 1347 C C . LEU B 2 144 ? 2.347 -14.245 18.054 1.00 26.64 ? ? ? ? ? ? 144 LEU H C 1 -ATOM 1348 O O . LEU B 2 144 ? 1.478 -14.297 18.943 1.00 28.05 ? ? ? ? ? ? 144 LEU H O 1 -ATOM 1349 C CB . LEU B 2 144 ? 1.144 -13.196 16.062 1.00 28.20 ? ? ? ? ? ? 144 LEU H CB 1 -ATOM 1350 C CG . LEU B 2 144 ? 1.035 -12.032 15.072 1.00 30.12 ? ? ? ? ? ? 144 LEU H CG 1 -ATOM 1351 C CD1 . LEU B 2 144 ? -0.084 -12.343 14.065 1.00 31.27 ? ? ? ? ? ? 144 LEU H CD1 1 -ATOM 1352 C CD2 . LEU B 2 144 ? 0.645 -10.774 15.877 1.00 29.18 ? ? ? ? ? ? 144 LEU H CD2 1 -ATOM 1353 N N . LYS B 2 145 ? 3.174 -15.232 17.870 1.00 27.53 ? ? ? ? ? ? 145 LYS H N 1 -ATOM 1354 C CA . LYS B 2 145 ? 3.168 -16.390 18.797 1.00 29.71 ? ? ? ? ? ? 145 LYS H CA 1 -ATOM 1355 C C . LYS B 2 145 ? 4.573 -16.977 18.686 1.00 29.78 ? ? ? ? ? ? 145 LYS H C 1 -ATOM 1356 O O . LYS B 2 145 ? 5.284 -16.725 17.690 1.00 29.79 ? ? ? ? ? ? 145 LYS H O 1 -ATOM 1357 C CB . LYS B 2 145 ? 2.067 -17.374 18.387 1.00 32.15 ? ? ? ? ? ? 145 LYS H CB 1 -ATOM 1358 N N . GLU B 2 146 ? 4.920 -17.725 19.723 1.00 30.75 ? ? ? ? ? ? 146 GLU H N 1 -ATOM 1359 C CA . GLU B 2 146 ? 6.273 -18.306 19.796 1.00 31.79 ? ? ? ? ? ? 146 GLU H CA 1 -ATOM 1360 C C . GLU B 2 146 ? 6.423 -19.417 18.737 1.00 32.51 ? ? ? ? ? ? 146 GLU H C 1 -ATOM 1361 O O . GLU B 2 146 ? 7.441 -19.310 17.987 1.00 33.69 ? ? ? ? ? ? 146 GLU H O 1 -ATOM 1362 C CB . GLU B 2 146 ? 6.583 -18.903 21.167 1.00 29.38 ? ? ? ? ? ? 146 GLU H CB 1 -ATOM 1363 C CG . GLU B 2 146 ? 8.054 -19.211 21.327 1.00 32.52 ? ? ? ? ? ? 146 GLU H CG 1 -ATOM 1364 C CD . GLU B 2 146 ? 8.552 -19.978 22.516 1.00 31.28 ? ? ? ? ? ? 146 GLU H CD 1 -ATOM 1365 O OE1 . GLU B 2 146 ? 7.978 -19.812 23.604 1.00 29.02 ? ? ? ? ? ? 146 GLU H OE1 1 -ATOM 1366 O OE2 . GLU B 2 146 ? 9.544 -20.687 22.283 1.00 37.96 ? ? ? ? ? ? 146 GLU H OE2 1 -ATOM 1367 N N . GLY B 2 155 ? 1.283 -16.237 12.059 1.00 43.55 ? ? ? ? ? ? 150 GLY H N 1 -ATOM 1368 C CA . GLY B 2 155 ? 1.694 -15.474 13.241 1.00 42.54 ? ? ? ? ? ? 150 GLY H CA 1 -ATOM 1369 C C . GLY B 2 155 ? 2.697 -14.437 12.735 1.00 41.97 ? ? ? ? ? ? 150 GLY H C 1 -ATOM 1370 O O . GLY B 2 155 ? 3.827 -14.432 13.219 1.00 42.77 ? ? ? ? ? ? 150 GLY H O 1 -ATOM 1371 N N . GLN B 2 156 ? 2.266 -13.724 11.728 1.00 41.06 ? ? ? ? ? ? 151 GLN H N 1 -ATOM 1372 C CA . GLN B 2 156 ? 2.937 -12.543 11.129 1.00 39.75 ? ? ? ? ? ? 151 GLN H CA 1 -ATOM 1373 C C . GLN B 2 156 ? 1.778 -11.571 10.886 1.00 38.19 ? ? ? ? ? ? 151 GLN H C 1 -ATOM 1374 O O . GLN B 2 156 ? 0.725 -12.016 10.367 1.00 39.48 ? ? ? ? ? ? 151 GLN H O 1 -ATOM 1375 C CB . GLN B 2 156 ? 3.756 -12.951 9.939 1.00 42.78 ? ? ? ? ? ? 151 GLN H CB 1 -ATOM 1376 C CG . GLN B 2 156 ? 4.220 -14.390 10.253 1.00 49.54 ? ? ? ? ? ? 151 GLN H CG 1 -ATOM 1377 C CD . GLN B 2 156 ? 5.365 -14.714 9.316 1.00 50.00 ? ? ? ? ? ? 151 GLN H CD 1 -ATOM 1378 O OE1 . GLN B 2 156 ? 5.111 -15.255 8.229 1.00 50.00 ? ? ? ? ? ? 151 GLN H OE1 1 -ATOM 1379 N NE2 . GLN B 2 156 ? 6.568 -14.264 9.698 1.00 50.00 ? ? ? ? ? ? 151 GLN H NE2 1 -ATOM 1380 N N . PRO B 2 157 ? 1.839 -10.447 11.611 1.00 34.62 ? ? ? ? ? ? 152 PRO H N 1 -ATOM 1381 C CA . PRO B 2 157 ? 0.723 -9.486 11.594 1.00 31.81 ? ? ? ? ? ? 152 PRO H CA 1 -ATOM 1382 C C . PRO B 2 157 ? 0.680 -8.832 10.208 1.00 29.14 ? ? ? ? ? ? 152 PRO H C 1 -ATOM 1383 O O . PRO B 2 157 ? 1.705 -8.785 9.500 1.00 28.71 ? ? ? ? ? ? 152 PRO H O 1 -ATOM 1384 C CB . PRO B 2 157 ? 1.132 -8.406 12.619 1.00 31.24 ? ? ? ? ? ? 152 PRO H CB 1 -ATOM 1385 C CG . PRO B 2 157 ? 2.617 -8.545 12.777 1.00 31.82 ? ? ? ? ? ? 152 PRO H CG 1 -ATOM 1386 C CD . PRO B 2 157 ? 3.055 -9.913 12.243 1.00 32.89 ? ? ? ? ? ? 152 PRO H CD 1 -ATOM 1387 N N . SER B 2 158 ? -0.435 -8.167 9.924 1.00 27.49 ? ? ? ? ? ? 153 SER H N 1 -ATOM 1388 C CA . SER B 2 158 ? -0.393 -7.483 8.596 1.00 26.61 ? ? ? ? ? ? 153 SER H CA 1 -ATOM 1389 C C . SER B 2 158 ? 0.002 -6.029 8.822 1.00 24.81 ? ? ? ? ? ? 153 SER H C 1 -ATOM 1390 O O . SER B 2 158 ? 0.714 -5.514 7.934 1.00 25.91 ? ? ? ? ? ? 153 SER H O 1 -ATOM 1391 C CB . SER B 2 158 ? -1.699 -7.645 7.837 1.00 29.20 ? ? ? ? ? ? 153 SER H CB 1 -ATOM 1392 O OG . SER B 2 158 ? -2.738 -7.141 8.643 1.00 34.43 ? ? ? ? ? ? 153 SER H OG 1 -ATOM 1393 N N . VAL B 2 159 ? -0.289 -5.595 10.042 1.00 24.08 ? ? ? ? ? ? 154 VAL H N 1 -ATOM 1394 C CA . VAL B 2 159 ? 0.005 -4.178 10.413 1.00 23.13 ? ? ? ? ? ? 154 VAL H CA 1 -ATOM 1395 C C . VAL B 2 159 ? 0.799 -4.138 11.747 1.00 21.39 ? ? ? ? ? ? 154 VAL H C 1 -ATOM 1396 O O . VAL B 2 159 ? 0.760 -5.103 12.518 1.00 20.00 ? ? ? ? ? ? 154 VAL H O 1 -ATOM 1397 C CB . VAL B 2 159 ? -1.411 -3.596 10.426 1.00 25.57 ? ? ? ? ? ? 154 VAL H CB 1 -ATOM 1398 C CG1 . VAL B 2 159 ? -2.074 -3.153 11.693 1.00 28.34 ? ? ? ? ? ? 154 VAL H CG1 1 -ATOM 1399 C CG2 . VAL B 2 159 ? -1.757 -2.758 9.192 1.00 25.96 ? ? ? ? ? ? 154 VAL H CG2 1 -ATOM 1400 N N . LEU B 2 160 ? 1.409 -2.975 11.984 1.00 20.77 ? ? ? ? ? ? 155 LEU H N 1 -ATOM 1401 C CA . LEU B 2 160 ? 2.134 -2.784 13.257 1.00 19.70 ? ? ? ? ? ? 155 LEU H CA 1 -ATOM 1402 C C . LEU B 2 160 ? 1.275 -3.173 14.440 1.00 18.83 ? ? ? ? ? ? 155 LEU H C 1 -ATOM 1403 O O . LEU B 2 160 ? 0.099 -2.783 14.636 1.00 21.33 ? ? ? ? ? ? 155 LEU H O 1 -ATOM 1404 C CB . LEU B 2 160 ? 2.747 -1.371 13.284 1.00 19.68 ? ? ? ? ? ? 155 LEU H CB 1 -ATOM 1405 C CG . LEU B 2 160 ? 3.650 -1.112 14.532 1.00 21.41 ? ? ? ? ? ? 155 LEU H CG 1 -ATOM 1406 C CD1 . LEU B 2 160 ? 5.047 -1.679 14.307 1.00 19.93 ? ? ? ? ? ? 155 LEU H CD1 1 -ATOM 1407 C CD2 . LEU B 2 160 ? 3.653 0.427 14.731 1.00 20.00 ? ? ? ? ? ? 155 LEU H CD2 1 -ATOM 1408 N N . GLN B 2 161 ? 1.883 -3.922 15.398 1.00 18.13 ? ? ? ? ? ? 156 GLN H N 1 -ATOM 1409 C CA . GLN B 2 161 ? 1.280 -4.356 16.652 1.00 17.15 ? ? ? ? ? ? 156 GLN H CA 1 -ATOM 1410 C C . GLN B 2 161 ? 1.797 -3.522 17.877 1.00 18.80 ? ? ? ? ? ? 156 GLN H C 1 -ATOM 1411 O O . GLN B 2 161 ? 2.993 -3.097 17.866 1.00 18.59 ? ? ? ? ? ? 156 GLN H O 1 -ATOM 1412 C CB . GLN B 2 161 ? 1.442 -5.835 17.023 1.00 18.70 ? ? ? ? ? ? 156 GLN H CB 1 -ATOM 1413 C CG . GLN B 2 161 ? 0.896 -6.836 16.019 1.00 21.26 ? ? ? ? ? ? 156 GLN H CG 1 -ATOM 1414 C CD . GLN B 2 161 ? -0.581 -6.667 15.736 1.00 21.74 ? ? ? ? ? ? 156 GLN H CD 1 -ATOM 1415 O OE1 . GLN B 2 161 ? -1.047 -5.985 14.781 1.00 24.00 ? ? ? ? ? ? 156 GLN H OE1 1 -ATOM 1416 N NE2 . GLN B 2 161 ? -1.316 -7.221 16.703 1.00 17.61 ? ? ? ? ? ? 156 GLN H NE2 1 -ATOM 1417 N N . VAL B 2 162 ? 0.937 -3.466 18.840 1.00 19.37 ? ? ? ? ? ? 157 VAL H N 1 -ATOM 1418 C CA . VAL B 2 162 ? 1.299 -2.739 20.095 1.00 20.16 ? ? ? ? ? ? 157 VAL H CA 1 -ATOM 1419 C C . VAL B 2 162 ? 0.835 -3.574 21.265 1.00 19.07 ? ? ? ? ? ? 157 VAL H C 1 -ATOM 1420 O O . VAL B 2 162 ? -0.279 -4.116 21.274 1.00 21.61 ? ? ? ? ? ? 157 VAL H O 1 -ATOM 1421 C CB . VAL B 2 162 ? 0.731 -1.300 20.088 1.00 22.64 ? ? ? ? ? ? 157 VAL H CB 1 -ATOM 1422 C CG1 . VAL B 2 162 ? -0.778 -1.279 19.972 1.00 23.05 ? ? ? ? ? ? 157 VAL H CG1 1 -ATOM 1423 C CG2 . VAL B 2 162 ? 1.044 -0.513 21.391 1.00 20.85 ? ? ? ? ? ? 157 VAL H CG2 1 -ATOM 1424 N N . VAL B 2 163 ? 1.536 -3.497 22.384 1.00 17.83 ? ? ? ? ? ? 158 VAL H N 1 -ATOM 1425 C CA . VAL B 2 163 ? 1.117 -4.028 23.696 1.00 18.00 ? ? ? ? ? ? 158 VAL H CA 1 -ATOM 1426 C C . VAL B 2 163 ? 1.772 -3.125 24.797 1.00 17.71 ? ? ? ? ? ? 158 VAL H C 1 -ATOM 1427 O O . VAL B 2 163 ? 2.918 -2.633 24.617 1.00 18.46 ? ? ? ? ? ? 158 VAL H O 1 -ATOM 1428 C CB . VAL B 2 163 ? 1.608 -5.493 23.857 1.00 17.36 ? ? ? ? ? ? 158 VAL H CB 1 -ATOM 1429 C CG1 . VAL B 2 163 ? 3.117 -5.573 24.045 1.00 18.20 ? ? ? ? ? ? 158 VAL H CG1 1 -ATOM 1430 C CG2 . VAL B 2 163 ? 0.872 -6.177 24.989 1.00 19.45 ? ? ? ? ? ? 158 VAL H CG2 1 -ATOM 1431 N N . ASN B 2 164 ? 1.128 -2.996 25.902 1.00 19.23 ? ? ? ? ? ? 159 ASN H N 1 -ATOM 1432 C CA . ASN B 2 164 ? 1.557 -2.213 27.074 1.00 20.61 ? ? ? ? ? ? 159 ASN H CA 1 -ATOM 1433 C C . ASN B 2 164 ? 1.961 -3.220 28.183 1.00 20.95 ? ? ? ? ? ? 159 ASN H C 1 -ATOM 1434 O O . ASN B 2 164 ? 1.157 -4.127 28.403 1.00 21.26 ? ? ? ? ? ? 159 ASN H O 1 -ATOM 1435 C CB . ASN B 2 164 ? 0.388 -1.350 27.500 1.00 21.45 ? ? ? ? ? ? 159 ASN H CB 1 -ATOM 1436 C CG . ASN B 2 164 ? 0.023 -0.334 26.408 1.00 22.88 ? ? ? ? ? ? 159 ASN H CG 1 -ATOM 1437 O OD1 . ASN B 2 164 ? 0.885 0.040 25.615 1.00 21.00 ? ? ? ? ? ? 159 ASN H OD1 1 -ATOM 1438 N ND2 . ASN B 2 164 ? -1.198 0.172 26.580 1.00 26.28 ? ? ? ? ? ? 159 ASN H ND2 1 -ATOM 1439 N N . LEU B 2 165 ? 3.120 -3.090 28.766 1.00 20.90 ? ? ? ? ? ? 160 LEU H N 1 -ATOM 1440 C CA . LEU B 2 165 ? 3.560 -4.074 29.798 1.00 20.95 ? ? ? ? ? ? 160 LEU H CA 1 -ATOM 1441 C C . LEU B 2 165 ? 4.094 -3.262 31.005 1.00 20.95 ? ? ? ? ? ? 160 LEU H C 1 -ATOM 1442 O O . LEU B 2 165 ? 4.861 -2.297 30.776 1.00 19.86 ? ? ? ? ? ? 160 LEU H O 1 -ATOM 1443 C CB . LEU B 2 165 ? 4.658 -4.876 29.094 1.00 21.72 ? ? ? ? ? ? 160 LEU H CB 1 -ATOM 1444 C CG . LEU B 2 165 ? 4.295 -5.733 27.884 1.00 22.38 ? ? ? ? ? ? 160 LEU H CG 1 -ATOM 1445 C CD1 . LEU B 2 165 ? 5.516 -6.256 27.158 1.00 22.42 ? ? ? ? ? ? 160 LEU H CD1 1 -ATOM 1446 C CD2 . LEU B 2 165 ? 3.359 -6.858 28.327 1.00 21.07 ? ? ? ? ? ? 160 LEU H CD2 1 -ATOM 1447 N N . PRO B 2 166 ? 3.952 -3.847 32.169 1.00 20.45 ? ? ? ? ? ? 161 PRO H N 1 -ATOM 1448 C CA . PRO B 2 166 ? 4.459 -3.268 33.392 1.00 20.51 ? ? ? ? ? ? 161 PRO H CA 1 -ATOM 1449 C C . PRO B 2 166 ? 5.925 -3.669 33.611 1.00 20.42 ? ? ? ? ? ? 161 PRO H C 1 -ATOM 1450 O O . PRO B 2 166 ? 6.324 -4.821 33.327 1.00 20.06 ? ? ? ? ? ? 161 PRO H O 1 -ATOM 1451 C CB . PRO B 2 166 ? 3.670 -3.995 34.497 1.00 21.27 ? ? ? ? ? ? 161 PRO H CB 1 -ATOM 1452 C CG . PRO B 2 166 ? 3.107 -5.248 33.884 1.00 21.36 ? ? ? ? ? ? 161 PRO H CG 1 -ATOM 1453 C CD . PRO B 2 166 ? 3.181 -5.093 32.392 1.00 21.50 ? ? ? ? ? ? 161 PRO H CD 1 -ATOM 1454 N N . ILE B 2 167 ? 6.713 -2.753 34.087 1.00 19.44 ? ? ? ? ? ? 162 ILE H N 1 -ATOM 1455 C CA . ILE B 2 167 ? 8.096 -3.070 34.472 1.00 19.71 ? ? ? ? ? ? 162 ILE H CA 1 -ATOM 1456 C C . ILE B 2 167 ? 7.981 -3.970 35.750 1.00 20.25 ? ? ? ? ? ? 162 ILE H C 1 -ATOM 1457 O O . ILE B 2 167 ? 7.135 -3.760 36.640 1.00 21.27 ? ? ? ? ? ? 162 ILE H O 1 -ATOM 1458 C CB . ILE B 2 167 ? 8.790 -1.701 34.787 1.00 19.94 ? ? ? ? ? ? 162 ILE H CB 1 -ATOM 1459 C CG1 . ILE B 2 167 ? 8.851 -0.879 33.457 1.00 19.45 ? ? ? ? ? ? 162 ILE H CG1 1 -ATOM 1460 C CG2 . ILE B 2 167 ? 10.220 -1.907 35.367 1.00 18.10 ? ? ? ? ? ? 162 ILE H CG2 1 -ATOM 1461 C CD1 . ILE B 2 167 ? 9.520 0.497 33.652 1.00 22.11 ? ? ? ? ? ? 162 ILE H CD1 1 -ATOM 1462 N N . VAL B 2 168 ? 8.904 -4.895 35.823 1.00 20.32 ? ? ? ? ? ? 163 VAL H N 1 -ATOM 1463 C CA . VAL B 2 168 ? 9.011 -5.930 36.849 1.00 21.09 ? ? ? ? ? ? 163 VAL H CA 1 -ATOM 1464 C C . VAL B 2 168 ? 10.237 -5.652 37.749 1.00 20.50 ? ? ? ? ? ? 163 VAL H C 1 -ATOM 1465 O O . VAL B 2 168 ? 11.306 -5.208 37.337 1.00 19.75 ? ? ? ? ? ? 163 VAL H O 1 -ATOM 1466 C CB . VAL B 2 168 ? 9.063 -7.346 36.190 1.00 20.32 ? ? ? ? ? ? 163 VAL H CB 1 -ATOM 1467 C CG1 . VAL B 2 168 ? 9.211 -8.501 37.179 1.00 19.06 ? ? ? ? ? ? 163 VAL H CG1 1 -ATOM 1468 C CG2 . VAL B 2 168 ? 7.822 -7.609 35.354 1.00 21.76 ? ? ? ? ? ? 163 VAL H CG2 1 -ATOM 1469 N N . GLU B 2 169 ? 10.009 -5.950 39.029 1.00 22.03 ? ? ? ? ? ? 164 GLU H N 1 -ATOM 1470 C CA . GLU B 2 169 ? 11.062 -5.825 40.071 1.00 23.13 ? ? ? ? ? ? 164 GLU H CA 1 -ATOM 1471 C C . GLU B 2 169 ? 12.335 -6.573 39.708 1.00 22.31 ? ? ? ? ? ? 164 GLU H C 1 -ATOM 1472 O O . GLU B 2 169 ? 12.208 -7.749 39.319 1.00 22.69 ? ? ? ? ? ? 164 GLU H O 1 -ATOM 1473 C CB . GLU B 2 169 ? 10.551 -6.484 41.377 1.00 27.11 ? ? ? ? ? ? 164 GLU H CB 1 -ATOM 1474 C CG . GLU B 2 169 ? 9.245 -5.971 41.935 1.00 32.68 ? ? ? ? ? ? 164 GLU H CG 1 -ATOM 1475 C CD . GLU B 2 169 ? 7.964 -6.448 41.331 1.00 36.44 ? ? ? ? ? ? 164 GLU H CD 1 -ATOM 1476 O OE1 . GLU B 2 169 ? 7.853 -6.866 40.167 1.00 34.50 ? ? ? ? ? ? 164 GLU H OE1 1 -ATOM 1477 O OE2 . GLU B 2 169 ? 6.954 -6.374 42.044 1.00 44.35 ? ? ? ? ? ? 164 GLU H OE2 1 -ATOM 1478 N N . ARG B 2 170 ? 13.512 -6.006 39.945 1.00 21.65 ? ? ? ? ? ? 165 ARG H N 1 -ATOM 1479 C CA . ARG B 2 170 ? 14.770 -6.654 39.600 1.00 22.15 ? ? ? ? ? ? 165 ARG H CA 1 -ATOM 1480 C C . ARG B 2 170 ? 14.864 -8.111 40.102 1.00 22.35 ? ? ? ? ? ? 165 ARG H C 1 -ATOM 1481 O O . ARG B 2 170 ? 15.361 -8.947 39.338 1.00 21.32 ? ? ? ? ? ? 165 ARG H O 1 -ATOM 1482 C CB . ARG B 2 170 ? 16.042 -5.941 39.940 1.00 26.29 ? ? ? ? ? ? 165 ARG H CB 1 -ATOM 1483 C CG . ARG B 2 170 ? 16.445 -4.661 39.246 1.00 36.34 ? ? ? ? ? ? 165 ARG H CG 1 -ATOM 1484 C CD . ARG B 2 170 ? 17.933 -4.519 39.115 1.00 38.12 ? ? ? ? ? ? 165 ARG H CD 1 -ATOM 1485 N NE . ARG B 2 170 ? 18.335 -4.011 37.827 1.00 43.23 ? ? ? ? ? ? 165 ARG H NE 1 -ATOM 1486 C CZ . ARG B 2 170 ? 18.744 -4.518 36.674 1.00 41.83 ? ? ? ? ? ? 165 ARG H CZ 1 -ATOM 1487 N NH1 . ARG B 2 170 ? 19.004 -5.775 36.340 1.00 42.08 ? ? ? ? ? ? 165 ARG H NH1 1 -ATOM 1488 N NH2 . ARG B 2 170 ? 19.075 -3.623 35.732 1.00 47.34 ? ? ? ? ? ? 165 ARG H NH2 1 -ATOM 1489 N N . PRO B 2 171 ? 14.584 -8.340 41.384 1.00 23.66 ? ? ? ? ? ? 166 PRO H N 1 -ATOM 1490 C CA . PRO B 2 171 ? 14.666 -9.675 41.993 1.00 23.09 ? ? ? ? ? ? 166 PRO H CA 1 -ATOM 1491 C C . PRO B 2 171 ? 13.771 -10.651 41.235 1.00 22.82 ? ? ? ? ? ? 166 PRO H C 1 -ATOM 1492 O O . PRO B 2 171 ? 14.276 -11.764 41.036 1.00 22.83 ? ? ? ? ? ? 166 PRO H O 1 -ATOM 1493 C CB . PRO B 2 171 ? 14.219 -9.558 43.462 1.00 23.25 ? ? ? ? ? ? 166 PRO H CB 1 -ATOM 1494 C CG . PRO B 2 171 ? 14.061 -8.099 43.709 1.00 23.84 ? ? ? ? ? ? 166 PRO H CG 1 -ATOM 1495 C CD . PRO B 2 171 ? 14.145 -7.362 42.390 1.00 23.34 ? ? ? ? ? ? 166 PRO H CD 1 -ATOM 1496 N N . VAL B 2 172 ? 12.565 -10.266 40.845 1.00 21.32 ? ? ? ? ? ? 167 VAL H N 1 -ATOM 1497 C CA . VAL B 2 172 ? 11.679 -11.142 40.074 1.00 20.88 ? ? ? ? ? ? 167 VAL H CA 1 -ATOM 1498 C C . VAL B 2 172 ? 12.291 -11.411 38.718 1.00 21.47 ? ? ? ? ? ? 167 VAL H C 1 -ATOM 1499 O O . VAL B 2 172 ? 12.220 -12.557 38.210 1.00 21.77 ? ? ? ? ? ? 167 VAL H O 1 -ATOM 1500 C CB . VAL B 2 172 ? 10.253 -10.563 39.985 1.00 21.34 ? ? ? ? ? ? 167 VAL H CB 1 -ATOM 1501 C CG1 . VAL B 2 172 ? 9.369 -11.386 39.074 1.00 20.21 ? ? ? ? ? ? 167 VAL H CG1 1 -ATOM 1502 C CG2 . VAL B 2 172 ? 9.636 -10.289 41.356 1.00 24.54 ? ? ? ? ? ? 167 VAL H CG2 1 -ATOM 1503 N N . CYS B 2 173 ? 12.919 -10.356 38.126 1.00 21.84 ? ? ? ? ? ? 168 CYS H N 1 -ATOM 1504 C CA . CYS B 2 173 ? 13.625 -10.600 36.871 1.00 21.63 ? ? ? ? ? ? 168 CYS H CA 1 -ATOM 1505 C C . CYS B 2 173 ? 14.702 -11.673 37.073 1.00 22.68 ? ? ? ? ? ? 168 CYS H C 1 -ATOM 1506 O O . CYS B 2 173 ? 14.859 -12.593 36.226 1.00 21.38 ? ? ? ? ? ? 168 CYS H O 1 -ATOM 1507 C CB . CYS B 2 173 ? 14.293 -9.348 36.242 1.00 22.86 ? ? ? ? ? ? 168 CYS H CB 1 -ATOM 1508 S SG . CYS B 2 173 ? 13.019 -8.060 35.919 1.00 21.27 ? ? ? ? ? ? 168 CYS H SG 1 -ATOM 1509 N N . LYS B 2 174 ? 15.562 -11.382 38.066 1.00 23.02 ? ? ? ? ? ? 169 LYS H N 1 -ATOM 1510 C CA . LYS B 2 174 ? 16.705 -12.299 38.299 1.00 23.61 ? ? ? ? ? ? 169 LYS H CA 1 -ATOM 1511 C C . LYS B 2 174 ? 16.298 -13.743 38.593 1.00 21.80 ? ? ? ? ? ? 169 LYS H C 1 -ATOM 1512 O O . LYS B 2 174 ? 16.944 -14.663 38.080 1.00 21.77 ? ? ? ? ? ? 169 LYS H O 1 -ATOM 1513 C CB . LYS B 2 174 ? 17.494 -11.807 39.523 1.00 29.26 ? ? ? ? ? ? 169 LYS H CB 1 -ATOM 1514 C CG . LYS B 2 174 ? 18.443 -10.681 39.090 1.00 39.70 ? ? ? ? ? ? 169 LYS H CG 1 -ATOM 1515 C CD . LYS B 2 174 ? 19.651 -10.572 40.019 1.00 44.15 ? ? ? ? ? ? 169 LYS H CD 1 -ATOM 1516 C CE . LYS B 2 174 ? 20.503 -11.846 39.926 1.00 48.60 ? ? ? ? ? ? 169 LYS H CE 1 -ATOM 1517 N NZ . LYS B 2 174 ? 20.714 -12.490 41.269 1.00 49.66 ? ? ? ? ? ? 169 LYS H NZ 1 -ATOM 1518 N N . ASP B 2 175 ? 15.241 -13.912 39.358 1.00 21.62 ? ? ? ? ? ? 170 ASP H N 1 -ATOM 1519 C CA . ASP B 2 175 ? 14.775 -15.260 39.710 1.00 22.42 ? ? ? ? ? ? 170 ASP H CA 1 -ATOM 1520 C C . ASP B 2 175 ? 13.966 -16.000 38.668 1.00 22.41 ? ? ? ? ? ? 170 ASP H C 1 -ATOM 1521 O O . ASP B 2 175 ? 13.595 -17.161 38.956 1.00 22.93 ? ? ? ? ? ? 170 ASP H O 1 -ATOM 1522 C CB . ASP B 2 175 ? 13.993 -15.243 41.020 1.00 20.19 ? ? ? ? ? ? 170 ASP H CB 1 -ATOM 1523 C CG . ASP B 2 175 ? 14.927 -14.950 42.185 1.00 23.85 ? ? ? ? ? ? 170 ASP H CG 1 -ATOM 1524 O OD1 . ASP B 2 175 ? 16.142 -15.218 42.126 1.00 25.84 ? ? ? ? ? ? 170 ASP H OD1 1 -ATOM 1525 O OD2 . ASP B 2 175 ? 14.278 -14.639 43.181 1.00 27.81 ? ? ? ? ? ? 170 ASP H OD2 1 -ATOM 1526 N N . SER B 2 176 ? 13.801 -15.399 37.481 1.00 22.23 ? ? ? ? ? ? 171 SER H N 1 -ATOM 1527 C CA . SER B 2 176 ? 13.045 -16.081 36.416 1.00 21.31 ? ? ? ? ? ? 171 SER H CA 1 -ATOM 1528 C C . SER B 2 176 ? 14.035 -16.783 35.495 1.00 21.23 ? ? ? ? ? ? 171 SER H C 1 -ATOM 1529 O O . SER B 2 176 ? 13.606 -17.560 34.634 1.00 22.82 ? ? ? ? ? ? 171 SER H O 1 -ATOM 1530 C CB . SER B 2 176 ? 12.165 -15.105 35.594 1.00 20.45 ? ? ? ? ? ? 171 SER H CB 1 -ATOM 1531 O OG . SER B 2 176 ? 13.031 -14.164 34.926 1.00 18.76 ? ? ? ? ? ? 171 SER H OG 1 -ATOM 1532 N N . THR B 2 177 ? 15.331 -16.590 35.633 1.00 19.71 ? ? ? ? ? ? 172 THR H N 1 -ATOM 1533 C CA . THR B 2 177 ? 16.208 -17.148 34.590 1.00 20.61 ? ? ? ? ? ? 172 THR H CA 1 -ATOM 1534 C C . THR B 2 177 ? 17.533 -17.605 35.208 1.00 21.42 ? ? ? ? ? ? 172 THR H C 1 -ATOM 1535 O O . THR B 2 177 ? 17.757 -17.198 36.353 1.00 21.86 ? ? ? ? ? ? 172 THR H O 1 -ATOM 1536 C CB . THR B 2 177 ? 16.478 -15.961 33.552 1.00 18.03 ? ? ? ? ? ? 172 THR H CB 1 -ATOM 1537 O OG1 . THR B 2 177 ? 17.344 -16.412 32.496 1.00 18.37 ? ? ? ? ? ? 172 THR H OG1 1 -ATOM 1538 C CG2 . THR B 2 177 ? 16.951 -14.653 34.188 1.00 17.52 ? ? ? ? ? ? 172 THR H CG2 1 -ATOM 1539 N N . ARG B 2 178 ? 18.332 -18.271 34.401 1.00 21.59 ? ? ? ? ? ? 173 ARG H N 1 -ATOM 1540 C CA . ARG B 2 178 ? 19.665 -18.655 34.829 1.00 23.08 ? ? ? ? ? ? 173 ARG H CA 1 -ATOM 1541 C C . ARG B 2 178 ? 20.617 -17.646 34.226 1.00 22.97 ? ? ? ? ? ? 173 ARG H C 1 -ATOM 1542 O O . ARG B 2 178 ? 21.779 -17.783 34.616 1.00 23.40 ? ? ? ? ? ? 173 ARG H O 1 -ATOM 1543 C CB . ARG B 2 178 ? 20.131 -20.053 34.394 1.00 27.48 ? ? ? ? ? ? 173 ARG H CB 1 -ATOM 1544 C CG . ARG B 2 178 ? 19.278 -21.155 34.994 1.00 34.70 ? ? ? ? ? ? 173 ARG H CG 1 -ATOM 1545 C CD . ARG B 2 178 ? 19.333 -22.451 34.259 1.00 38.57 ? ? ? ? ? ? 173 ARG H CD 1 -ATOM 1546 N NE . ARG B 2 178 ? 20.517 -23.217 34.654 1.00 42.78 ? ? ? ? ? ? 173 ARG H NE 1 -ATOM 1547 C CZ . ARG B 2 178 ? 20.501 -24.558 34.594 1.00 44.01 ? ? ? ? ? ? 173 ARG H CZ 1 -ATOM 1548 N NH1 . ARG B 2 178 ? 19.456 -25.237 34.130 1.00 44.42 ? ? ? ? ? ? 173 ARG H NH1 1 -ATOM 1549 N NH2 . ARG B 2 178 ? 21.489 -25.177 35.234 1.00 47.09 ? ? ? ? ? ? 173 ARG H NH2 1 -ATOM 1550 N N . ILE B 2 179 ? 20.213 -16.773 33.309 1.00 23.08 ? ? ? ? ? ? 174 ILE H N 1 -ATOM 1551 C CA . ILE B 2 179 ? 21.147 -15.822 32.666 1.00 22.43 ? ? ? ? ? ? 174 ILE H CA 1 -ATOM 1552 C C . ILE B 2 179 ? 21.531 -14.737 33.717 1.00 21.43 ? ? ? ? ? ? 174 ILE H C 1 -ATOM 1553 O O . ILE B 2 179 ? 20.718 -14.356 34.550 1.00 21.17 ? ? ? ? ? ? 174 ILE H O 1 -ATOM 1554 C CB . ILE B 2 179 ? 20.641 -15.177 31.327 1.00 25.42 ? ? ? ? ? ? 174 ILE H CB 1 -ATOM 1555 C CG1 . ILE B 2 179 ? 20.612 -16.284 30.228 1.00 28.86 ? ? ? ? ? ? 174 ILE H CG1 1 -ATOM 1556 C CG2 . ILE B 2 179 ? 21.430 -14.000 30.769 1.00 23.32 ? ? ? ? ? ? 174 ILE H CG2 1 -ATOM 1557 C CD1 . ILE B 2 179 ? 19.179 -16.893 30.171 1.00 33.99 ? ? ? ? ? ? 174 ILE H CD1 1 -ATOM 1558 N N . ARG B 2 180 ? 22.804 -14.394 33.621 1.00 21.38 ? ? ? ? ? ? 175 ARG H N 1 -ATOM 1559 C CA . ARG B 2 180 ? 23.313 -13.370 34.546 1.00 23.17 ? ? ? ? ? ? 175 ARG H CA 1 -ATOM 1560 C C . ARG B 2 180 ? 22.727 -12.018 34.090 1.00 23.16 ? ? ? ? ? ? 175 ARG H C 1 -ATOM 1561 O O . ARG B 2 180 ? 23.085 -11.559 32.994 1.00 24.80 ? ? ? ? ? ? 175 ARG H O 1 -ATOM 1562 C CB . ARG B 2 180 ? 24.842 -13.270 34.498 1.00 23.04 ? ? ? ? ? ? 175 ARG H CB 1 -ATOM 1563 C CG . ARG B 2 180 ? 25.397 -12.254 35.505 1.00 28.23 ? ? ? ? ? ? 175 ARG H CG 1 -ATOM 1564 C CD . ARG B 2 180 ? 26.886 -12.221 35.595 1.00 24.46 ? ? ? ? ? ? 175 ARG H CD 1 -ATOM 1565 N NE . ARG B 2 180 ? 27.467 -11.922 34.284 1.00 27.82 ? ? ? ? ? ? 175 ARG H NE 1 -ATOM 1566 C CZ . ARG B 2 180 ? 27.814 -10.694 33.883 1.00 25.66 ? ? ? ? ? ? 175 ARG H CZ 1 -ATOM 1567 N NH1 . ARG B 2 180 ? 27.575 -9.638 34.644 1.00 28.03 ? ? ? ? ? ? 175 ARG H NH1 1 -ATOM 1568 N NH2 . ARG B 2 180 ? 28.344 -10.460 32.690 1.00 30.78 ? ? ? ? ? ? 175 ARG H NH2 1 -ATOM 1569 N N . ILE B 2 181 ? 21.856 -11.413 34.885 1.00 23.64 ? ? ? ? ? ? 176 ILE H N 1 -ATOM 1570 C CA . ILE B 2 181 ? 21.374 -10.066 34.498 1.00 24.63 ? ? ? ? ? ? 176 ILE H CA 1 -ATOM 1571 C C . ILE B 2 181 ? 22.221 -8.930 35.075 1.00 25.36 ? ? ? ? ? ? 176 ILE H C 1 -ATOM 1572 O O . ILE B 2 181 ? 22.885 -9.069 36.145 1.00 26.10 ? ? ? ? ? ? 176 ILE H O 1 -ATOM 1573 C CB . ILE B 2 181 ? 19.827 -9.989 34.560 1.00 26.65 ? ? ? ? ? ? 176 ILE H CB 1 -ATOM 1574 C CG1 . ILE B 2 181 ? 19.323 -9.879 35.986 1.00 28.15 ? ? ? ? ? ? 176 ILE H CG1 1 -ATOM 1575 C CG2 . ILE B 2 181 ? 19.153 -11.172 33.819 1.00 23.07 ? ? ? ? ? ? 176 ILE H CG2 1 -ATOM 1576 C CD1 . ILE B 2 181 ? 18.134 -8.850 36.057 1.00 33.54 ? ? ? ? ? ? 176 ILE H CD1 1 -ATOM 1577 N N . THR B 2 182 ? 22.425 -7.881 34.278 1.00 23.36 ? ? ? ? ? ? 177 THR H N 1 -ATOM 1578 C CA . THR B 2 182 ? 23.208 -6.697 34.609 1.00 21.68 ? ? ? ? ? ? 177 THR H CA 1 -ATOM 1579 C C . THR B 2 182 ? 22.360 -5.429 34.807 1.00 19.95 ? ? ? ? ? ? 177 THR H C 1 -ATOM 1580 O O . THR B 2 182 ? 21.124 -5.403 34.655 1.00 20.10 ? ? ? ? ? ? 177 THR H O 1 -ATOM 1581 C CB . THR B 2 182 ? 24.322 -6.441 33.549 1.00 20.24 ? ? ? ? ? ? 177 THR H CB 1 -ATOM 1582 O OG1 . THR B 2 182 ? 23.591 -5.739 32.445 1.00 23.27 ? ? ? ? ? ? 177 THR H OG1 1 -ATOM 1583 C CG2 . THR B 2 182 ? 24.982 -7.712 33.033 1.00 19.13 ? ? ? ? ? ? 177 THR H CG2 1 -ATOM 1584 N N . ASP B 2 183 ? 23.047 -4.393 35.264 1.00 17.51 ? ? ? ? ? ? 178 ASP H N 1 -ATOM 1585 C CA . ASP B 2 183 ? 22.379 -3.118 35.504 1.00 18.10 ? ? ? ? ? ? 178 ASP H CA 1 -ATOM 1586 C C . ASP B 2 183 ? 21.990 -2.454 34.141 1.00 17.26 ? ? ? ? ? ? 178 ASP H C 1 -ATOM 1587 O O . ASP B 2 183 ? 21.295 -1.436 34.193 1.00 17.38 ? ? ? ? ? ? 178 ASP H O 1 -ATOM 1588 C CB . ASP B 2 183 ? 23.257 -2.144 36.302 1.00 21.49 ? ? ? ? ? ? 178 ASP H CB 1 -ATOM 1589 C CG . ASP B 2 183 ? 23.422 -2.602 37.754 1.00 24.79 ? ? ? ? ? ? 178 ASP H CG 1 -ATOM 1590 O OD1 . ASP B 2 183 ? 22.534 -3.260 38.290 1.00 27.12 ? ? ? ? ? ? 178 ASP H OD1 1 -ATOM 1591 O OD2 . ASP B 2 183 ? 24.449 -2.157 38.309 1.00 27.95 ? ? ? ? ? ? 178 ASP H OD2 1 -ATOM 1592 N N . ASN B 2 184 ? 22.582 -2.921 33.059 1.00 16.38 ? ? ? ? ? ? 179 ASN H N 1 -ATOM 1593 C CA . ASN B 2 184 ? 22.202 -2.384 31.729 1.00 17.60 ? ? ? ? ? ? 179 ASN H CA 1 -ATOM 1594 C C . ASN B 2 184 ? 20.947 -3.068 31.151 1.00 17.30 ? ? ? ? ? ? 179 ASN H C 1 -ATOM 1595 O O . ASN B 2 184 ? 20.768 -2.813 29.955 1.00 18.13 ? ? ? ? ? ? 179 ASN H O 1 -ATOM 1596 C CB . ASN B 2 184 ? 23.362 -2.533 30.785 1.00 17.23 ? ? ? ? ? ? 179 ASN H CB 1 -ATOM 1597 C CG . ASN B 2 184 ? 24.628 -1.952 31.422 1.00 22.07 ? ? ? ? ? ? 179 ASN H CG 1 -ATOM 1598 O OD1 . ASN B 2 184 ? 24.624 -0.792 31.843 1.00 20.43 ? ? ? ? ? ? 179 ASN H OD1 1 -ATOM 1599 N ND2 . ASN B 2 184 ? 25.711 -2.720 31.357 1.00 22.67 ? ? ? ? ? ? 179 ASN H ND2 1 -ATOM 1600 N N . MET B 2 185 ? 20.152 -3.762 31.874 1.00 17.34 ? ? ? ? ? ? 180 MET H N 1 -ATOM 1601 C CA . MET B 2 185 ? 18.975 -4.515 31.478 1.00 18.71 ? ? ? ? ? ? 180 MET H CA 1 -ATOM 1602 C C . MET B 2 185 ? 17.853 -4.249 32.444 1.00 18.44 ? ? ? ? ? ? 180 MET H C 1 -ATOM 1603 O O . MET B 2 185 ? 18.238 -4.009 33.594 1.00 19.49 ? ? ? ? ? ? 180 MET H O 1 -ATOM 1604 C CB . MET B 2 185 ? 19.152 -6.078 31.569 1.00 19.53 ? ? ? ? ? ? 180 MET H CB 1 -ATOM 1605 C CG . MET B 2 185 ? 20.384 -6.446 30.811 1.00 20.10 ? ? ? ? ? ? 180 MET H CG 1 -ATOM 1606 S SD . MET B 2 185 ? 20.533 -8.264 31.053 1.00 18.86 ? ? ? ? ? ? 180 MET H SD 1 -ATOM 1607 C CE . MET B 2 185 ? 22.072 -8.470 30.229 1.00 16.98 ? ? ? ? ? ? 180 MET H CE 1 -ATOM 1608 N N . PHE B 2 186 ? 16.599 -4.391 32.048 1.00 16.44 ? ? ? ? ? ? 181 PHE H N 1 -ATOM 1609 C CA . PHE B 2 186 ? 15.431 -4.332 32.890 1.00 16.88 ? ? ? ? ? ? 181 PHE H CA 1 -ATOM 1610 C C . PHE B 2 186 ? 14.443 -5.383 32.262 1.00 17.30 ? ? ? ? ? ? 181 PHE H C 1 -ATOM 1611 O O . PHE B 2 186 ? 14.663 -5.683 31.076 1.00 17.88 ? ? ? ? ? ? 181 PHE H O 1 -ATOM 1612 C CB . PHE B 2 186 ? 14.834 -2.975 33.177 1.00 17.97 ? ? ? ? ? ? 181 PHE H CB 1 -ATOM 1613 C CG . PHE B 2 186 ? 14.168 -2.292 31.968 1.00 17.09 ? ? ? ? ? ? 181 PHE H CG 1 -ATOM 1614 C CD1 . PHE B 2 186 ? 12.804 -2.510 31.742 1.00 17.36 ? ? ? ? ? ? 181 PHE H CD1 1 -ATOM 1615 C CD2 . PHE B 2 186 ? 14.902 -1.432 31.158 1.00 18.98 ? ? ? ? ? ? 181 PHE H CD2 1 -ATOM 1616 C CE1 . PHE B 2 186 ? 12.190 -1.918 30.645 1.00 20.33 ? ? ? ? ? ? 181 PHE H CE1 1 -ATOM 1617 C CE2 . PHE B 2 186 ? 14.270 -0.717 30.115 1.00 15.85 ? ? ? ? ? ? 181 PHE H CE2 1 -ATOM 1618 C CZ . PHE B 2 186 ? 12.898 -0.954 29.908 1.00 15.99 ? ? ? ? ? ? 181 PHE H CZ 1 -ATOM 1619 N N . CYS B 2 187 ? 13.539 -5.945 33.040 1.00 19.02 ? ? ? ? ? ? 182 CYS H N 1 -ATOM 1620 C CA . CYS B 2 187 ? 12.571 -6.912 32.421 1.00 19.11 ? ? ? ? ? ? 182 CYS H CA 1 -ATOM 1621 C C . CYS B 2 187 ? 11.196 -6.311 32.545 1.00 18.80 ? ? ? ? ? ? 182 CYS H C 1 -ATOM 1622 O O . CYS B 2 187 ? 10.991 -5.418 33.382 1.00 18.70 ? ? ? ? ? ? 182 CYS H O 1 -ATOM 1623 C CB . CYS B 2 187 ? 12.763 -8.338 32.918 1.00 20.24 ? ? ? ? ? ? 182 CYS H CB 1 -ATOM 1624 S SG . CYS B 2 187 ? 11.887 -8.845 34.390 1.00 23.15 ? ? ? ? ? ? 182 CYS H SG 1 -ATOM 1625 N N . ALA B 2 188 ? 10.255 -6.799 31.767 1.00 19.47 ? ? ? ? ? ? 183 ALA H N 1 -ATOM 1626 C CA . ALA B 2 188 ? 8.870 -6.269 31.730 1.00 20.19 ? ? ? ? ? ? 183 ALA H CA 1 -ATOM 1627 C C . ALA B 2 188 ? 7.930 -7.399 31.280 1.00 19.67 ? ? ? ? ? ? 183 ALA H C 1 -ATOM 1628 O O . ALA B 2 188 ? 8.330 -8.315 30.540 1.00 20.56 ? ? ? ? ? ? 183 ALA H O 1 -ATOM 1629 C CB . ALA B 2 188 ? 8.726 -5.067 30.793 1.00 18.40 ? ? ? ? ? ? 183 ALA H CB 1 -ATOM 1630 N N . GLY B 2 189 ? 6.759 -7.418 31.864 1.00 20.51 ? ? ? ? ? ? 184 GLY H N 1 -ATOM 1631 C CA . GLY B 2 189 ? 5.769 -8.460 31.480 1.00 22.14 ? ? ? ? ? ? 184 GLY H CA 1 -ATOM 1632 C C . GLY B 2 189 ? 4.893 -8.705 32.680 1.00 23.29 ? ? ? ? ? ? 184 GLY H C 1 -ATOM 1633 O O . GLY B 2 189 ? 5.198 -8.273 33.803 1.00 23.64 ? ? ? ? ? ? 184 GLY H O 1 -ATOM 1634 N N . TYR B 2 190 A 3.726 -9.292 32.439 1.00 24.46 ? ? ? ? ? ? 184 TYR H N 1 -ATOM 1635 C CA . TYR B 2 190 A 2.858 -9.627 33.591 1.00 26.20 ? ? ? ? ? ? 184 TYR H CA 1 -ATOM 1636 C C . TYR B 2 190 A 3.394 -10.957 34.197 1.00 28.30 ? ? ? ? ? ? 184 TYR H C 1 -ATOM 1637 O O . TYR B 2 190 A 4.080 -11.760 33.534 1.00 28.00 ? ? ? ? ? ? 184 TYR H O 1 -ATOM 1638 C CB . TYR B 2 190 A 1.440 -9.885 33.067 1.00 25.46 ? ? ? ? ? ? 184 TYR H CB 1 -ATOM 1639 C CG . TYR B 2 190 A 0.856 -8.610 32.520 1.00 25.34 ? ? ? ? ? ? 184 TYR H CG 1 -ATOM 1640 C CD1 . TYR B 2 190 A 0.320 -7.754 33.480 1.00 25.57 ? ? ? ? ? ? 184 TYR H CD1 1 -ATOM 1641 C CD2 . TYR B 2 190 A 0.904 -8.253 31.167 1.00 27.21 ? ? ? ? ? ? 184 TYR H CD2 1 -ATOM 1642 C CE1 . TYR B 2 190 A -0.181 -6.512 33.101 1.00 27.10 ? ? ? ? ? ? 184 TYR H CE1 1 -ATOM 1643 C CE2 . TYR B 2 190 A 0.317 -7.024 30.772 1.00 27.14 ? ? ? ? ? ? 184 TYR H CE2 1 -ATOM 1644 C CZ . TYR B 2 190 A -0.182 -6.161 31.753 1.00 28.62 ? ? ? ? ? ? 184 TYR H CZ 1 -ATOM 1645 O OH . TYR B 2 190 A -0.775 -4.946 31.506 1.00 28.70 ? ? ? ? ? ? 184 TYR H OH 1 -ATOM 1646 N N . LYS B 2 191 ? 2.948 -11.166 35.410 1.00 29.91 ? ? ? ? ? ? 185 LYS H N 1 -ATOM 1647 C CA . LYS B 2 191 ? 3.186 -12.352 36.242 1.00 32.76 ? ? ? ? ? ? 185 LYS H CA 1 -ATOM 1648 C C . LYS B 2 191 ? 2.118 -13.400 35.955 1.00 35.15 ? ? ? ? ? ? 185 LYS H C 1 -ATOM 1649 O O . LYS B 2 191 ? 1.051 -12.983 35.451 1.00 35.72 ? ? ? ? ? ? 185 LYS H O 1 -ATOM 1650 C CB . LYS B 2 191 ? 2.995 -11.910 37.712 1.00 32.10 ? ? ? ? ? ? 185 LYS H CB 1 -ATOM 1651 C CG . LYS B 2 191 ? 4.298 -11.181 38.032 1.00 33.82 ? ? ? ? ? ? 185 LYS H CG 1 -ATOM 1652 C CD . LYS B 2 191 ? 4.230 -10.368 39.285 1.00 35.69 ? ? ? ? ? ? 185 LYS H CD 1 -ATOM 1653 C CE . LYS B 2 191 ? 5.600 -9.690 39.399 1.00 35.45 ? ? ? ? ? ? 185 LYS H CE 1 -ATOM 1654 N NZ . LYS B 2 191 ? 5.413 -8.727 40.513 1.00 41.59 ? ? ? ? ? ? 185 LYS H NZ 1 -ATOM 1655 N N . PRO B 2 192 ? 2.421 -14.658 36.290 1.00 36.59 ? ? ? ? ? ? 186 PRO H N 1 -ATOM 1656 C CA . PRO B 2 192 ? 1.470 -15.730 35.973 1.00 37.86 ? ? ? ? ? ? 186 PRO H CA 1 -ATOM 1657 C C . PRO B 2 192 ? 0.144 -15.549 36.683 1.00 38.40 ? ? ? ? ? ? 186 PRO H C 1 -ATOM 1658 O O . PRO B 2 192 ? -0.930 -15.819 36.093 1.00 38.99 ? ? ? ? ? ? 186 PRO H O 1 -ATOM 1659 C CB . PRO B 2 192 ? 2.249 -17.027 36.094 1.00 37.44 ? ? ? ? ? ? 186 PRO H CB 1 -ATOM 1660 C CG . PRO B 2 192 ? 3.672 -16.666 36.377 1.00 37.14 ? ? ? ? ? ? 186 PRO H CG 1 -ATOM 1661 C CD . PRO B 2 192 ? 3.731 -15.187 36.665 1.00 36.80 ? ? ? ? ? ? 186 PRO H CD 1 -ATOM 1662 N N . ASP B 2 193 A 0.183 -14.899 37.820 1.00 39.74 ? ? ? ? ? ? 186 ASP H N 1 -ATOM 1663 C CA . ASP B 2 193 A -0.983 -14.690 38.695 1.00 41.73 ? ? ? ? ? ? 186 ASP H CA 1 -ATOM 1664 C C . ASP B 2 193 A -1.905 -13.573 38.212 1.00 42.55 ? ? ? ? ? ? 186 ASP H C 1 -ATOM 1665 O O . ASP B 2 193 A -3.103 -13.501 38.544 1.00 42.73 ? ? ? ? ? ? 186 ASP H O 1 -ATOM 1666 N N . GLU B 2 194 B -1.284 -12.715 37.420 1.00 42.97 ? ? ? ? ? ? 186 GLU H N 1 -ATOM 1667 C CA . GLU B 2 194 B -1.772 -11.483 36.872 1.00 42.55 ? ? ? ? ? ? 186 GLU H CA 1 -ATOM 1668 C C . GLU B 2 194 B -2.929 -11.480 35.936 1.00 42.69 ? ? ? ? ? ? 186 GLU H C 1 -ATOM 1669 O O . GLU B 2 194 B -3.593 -10.412 35.892 1.00 44.08 ? ? ? ? ? ? 186 GLU H O 1 -ATOM 1670 C CB . GLU B 2 194 B -0.629 -10.626 36.303 1.00 43.64 ? ? ? ? ? ? 186 GLU H CB 1 -ATOM 1671 C CG . GLU B 2 194 B -0.160 -9.598 37.334 1.00 43.58 ? ? ? ? ? ? 186 GLU H CG 1 -ATOM 1672 C CD . GLU B 2 194 B 1.108 -8.866 37.085 1.00 44.16 ? ? ? ? ? ? 186 GLU H CD 1 -ATOM 1673 O OE1 . GLU B 2 194 B 2.068 -9.103 36.391 1.00 45.38 ? ? ? ? ? ? 186 GLU H OE1 1 -ATOM 1674 O OE2 . GLU B 2 194 B 1.166 -7.846 37.804 1.00 47.94 ? ? ? ? ? ? 186 GLU H OE2 1 -ATOM 1675 N N . GLY B 2 195 C -3.225 -12.489 35.165 1.00 42.25 ? ? ? ? ? ? 186 GLY H N 1 -ATOM 1676 C CA . GLY B 2 195 C -4.442 -12.344 34.338 1.00 42.42 ? ? ? ? ? ? 186 GLY H CA 1 -ATOM 1677 C C . GLY B 2 195 C -4.251 -11.298 33.257 1.00 42.26 ? ? ? ? ? ? 186 GLY H C 1 -ATOM 1678 O O . GLY B 2 195 C -5.054 -10.366 33.050 1.00 44.04 ? ? ? ? ? ? 186 GLY H O 1 -ATOM 1679 N N . LYS B 2 196 D -3.181 -11.455 32.512 1.00 40.71 ? ? ? ? ? ? 186 LYS H N 1 -ATOM 1680 C CA . LYS B 2 196 D -2.875 -10.583 31.359 1.00 37.22 ? ? ? ? ? ? 186 LYS H CA 1 -ATOM 1681 C C . LYS B 2 196 D -1.564 -11.136 30.819 1.00 35.44 ? ? ? ? ? ? 186 LYS H C 1 -ATOM 1682 O O . LYS B 2 196 D -0.746 -11.598 31.635 1.00 36.03 ? ? ? ? ? ? 186 LYS H O 1 -ATOM 1683 C CB . LYS B 2 196 D -2.802 -9.145 31.806 1.00 38.16 ? ? ? ? ? ? 186 LYS H CB 1 -ATOM 1684 C CG . LYS B 2 196 D -4.124 -8.445 31.896 1.00 39.72 ? ? ? ? ? ? 186 LYS H CG 1 -ATOM 1685 C CD . LYS B 2 196 D -4.036 -6.935 31.818 1.00 43.25 ? ? ? ? ? ? 186 LYS H CD 1 -ATOM 1686 C CE . LYS B 2 196 D -4.046 -6.337 33.215 1.00 46.76 ? ? ? ? ? ? 186 LYS H CE 1 -ATOM 1687 N NZ . LYS B 2 196 D -4.964 -7.109 34.111 1.00 49.05 ? ? ? ? ? ? 186 LYS H NZ 1 -ATOM 1688 N N . ARG B 2 197 ? -1.393 -11.139 29.526 1.00 33.09 ? ? ? ? ? ? 187 ARG H N 1 -ATOM 1689 C CA . ARG B 2 197 ? -0.244 -11.651 28.803 1.00 30.40 ? ? ? ? ? ? 187 ARG H CA 1 -ATOM 1690 C C . ARG B 2 197 ? 0.316 -10.569 27.871 1.00 28.83 ? ? ? ? ? ? 187 ARG H C 1 -ATOM 1691 O O . ARG B 2 197 ? -0.250 -9.468 27.761 1.00 29.14 ? ? ? ? ? ? 187 ARG H O 1 -ATOM 1692 C CB . ARG B 2 197 ? -0.705 -12.833 27.925 1.00 29.94 ? ? ? ? ? ? 187 ARG H CB 1 -ATOM 1693 C CG . ARG B 2 197 ? -1.479 -13.876 28.716 1.00 31.46 ? ? ? ? ? ? 187 ARG H CG 1 -ATOM 1694 C CD . ARG B 2 197 ? -1.570 -15.110 27.863 1.00 32.77 ? ? ? ? ? ? 187 ARG H CD 1 -ATOM 1695 N NE . ARG B 2 197 ? -0.193 -15.602 27.685 1.00 33.18 ? ? ? ? ? ? 187 ARG H NE 1 -ATOM 1696 C CZ . ARG B 2 197 ? 0.344 -16.321 28.701 1.00 35.31 ? ? ? ? ? ? 187 ARG H CZ 1 -ATOM 1697 N NH1 . ARG B 2 197 ? -0.378 -16.608 29.795 1.00 33.30 ? ? ? ? ? ? 187 ARG H NH1 1 -ATOM 1698 N NH2 . ARG B 2 197 ? 1.615 -16.747 28.615 1.00 34.99 ? ? ? ? ? ? 187 ARG H NH2 1 -ATOM 1699 N N . GLY B 2 198 ? 1.271 -10.952 27.068 1.00 27.17 ? ? ? ? ? ? 188 GLY H N 1 -ATOM 1700 C CA . GLY B 2 198 ? 1.912 -10.058 26.110 1.00 24.81 ? ? ? ? ? ? 188 GLY H CA 1 -ATOM 1701 C C . GLY B 2 198 ? 3.421 -10.171 26.247 1.00 24.77 ? ? ? ? ? ? 188 GLY H C 1 -ATOM 1702 O O . GLY B 2 198 ? 4.010 -10.381 27.346 1.00 25.43 ? ? ? ? ? ? 188 GLY H O 1 -ATOM 1703 N N . ASP B 2 199 ? 4.054 -9.967 25.102 1.00 23.55 ? ? ? ? ? ? 189 ASP H N 1 -ATOM 1704 C CA . ASP B 2 199 ? 5.531 -10.002 25.047 1.00 21.43 ? ? ? ? ? ? 189 ASP H CA 1 -ATOM 1705 C C . ASP B 2 199 ? 5.938 -9.577 23.633 1.00 21.27 ? ? ? ? ? ? 189 ASP H C 1 -ATOM 1706 O O . ASP B 2 199 ? 5.071 -9.618 22.731 1.00 20.93 ? ? ? ? ? ? 189 ASP H O 1 -ATOM 1707 C CB . ASP B 2 199 ? 6.037 -11.385 25.433 1.00 18.15 ? ? ? ? ? ? 189 ASP H CB 1 -ATOM 1708 C CG . ASP B 2 199 ? 7.521 -11.445 25.768 1.00 21.95 ? ? ? ? ? ? 189 ASP H CG 1 -ATOM 1709 O OD1 . ASP B 2 199 ? 8.234 -10.417 25.818 1.00 19.21 ? ? ? ? ? ? 189 ASP H OD1 1 -ATOM 1710 O OD2 . ASP B 2 199 ? 8.062 -12.573 25.804 1.00 20.77 ? ? ? ? ? ? 189 ASP H OD2 1 -ATOM 1711 N N . ALA B 2 200 ? 7.199 -9.232 23.505 1.00 19.10 ? ? ? ? ? ? 190 ALA H N 1 -ATOM 1712 C CA . ALA B 2 200 ? 7.870 -9.061 22.232 1.00 18.83 ? ? ? ? ? ? 190 ALA H CA 1 -ATOM 1713 C C . ALA B 2 200 ? 8.115 -10.519 21.743 1.00 20.33 ? ? ? ? ? ? 190 ALA H C 1 -ATOM 1714 O O . ALA B 2 200 ? 8.095 -11.470 22.539 1.00 19.52 ? ? ? ? ? ? 190 ALA H O 1 -ATOM 1715 C CB . ALA B 2 200 ? 9.200 -8.324 22.313 1.00 13.42 ? ? ? ? ? ? 190 ALA H CB 1 -ATOM 1716 N N . CYS B 2 201 ? 8.462 -10.665 20.484 1.00 20.79 ? ? ? ? ? ? 191 CYS H N 1 -ATOM 1717 C CA . CYS B 2 201 ? 8.767 -12.003 19.923 1.00 21.98 ? ? ? ? ? ? 191 CYS H CA 1 -ATOM 1718 C C . CYS B 2 201 ? 9.768 -11.790 18.829 1.00 22.85 ? ? ? ? ? ? 191 CYS H C 1 -ATOM 1719 O O . CYS B 2 201 ? 10.228 -10.644 18.613 1.00 22.22 ? ? ? ? ? ? 191 CYS H O 1 -ATOM 1720 C CB . CYS B 2 201 ? 7.496 -12.747 19.499 1.00 24.03 ? ? ? ? ? ? 191 CYS H CB 1 -ATOM 1721 S SG . CYS B 2 201 ? 7.616 -14.536 19.358 1.00 24.96 ? ? ? ? ? ? 191 CYS H SG 1 -ATOM 1722 N N . GLU B 2 202 ? 10.126 -12.892 18.128 1.00 24.16 ? ? ? ? ? ? 192 GLU H N 1 -ATOM 1723 C CA . GLU B 2 202 ? 11.124 -12.728 17.067 1.00 24.34 ? ? ? ? ? ? 192 GLU H CA 1 -ATOM 1724 C C . GLU B 2 202 ? 10.630 -11.701 16.030 1.00 22.75 ? ? ? ? ? ? 192 GLU H C 1 -ATOM 1725 O O . GLU B 2 202 ? 9.444 -11.802 15.714 1.00 22.09 ? ? ? ? ? ? 192 GLU H O 1 -ATOM 1726 C CB . GLU B 2 202 ? 11.456 -14.006 16.280 1.00 33.61 ? ? ? ? ? ? 192 GLU H CB 1 -ATOM 1727 C CG . GLU B 2 202 ? 10.436 -15.106 16.228 1.00 43.64 ? ? ? ? ? ? 192 GLU H CG 1 -ATOM 1728 C CD . GLU B 2 202 ? 10.555 -16.258 17.185 1.00 50.00 ? ? ? ? ? ? 192 GLU H CD 1 -ATOM 1729 O OE1 . GLU B 2 202 ? 11.447 -16.068 18.073 1.00 50.00 ? ? ? ? ? ? 192 GLU H OE1 1 -ATOM 1730 O OE2 . GLU B 2 202 ? 9.789 -17.243 17.134 1.00 50.00 ? ? ? ? ? ? 192 GLU H OE2 1 -ATOM 1731 N N . GLY B 2 203 ? 11.500 -10.881 15.498 1.00 21.68 ? ? ? ? ? ? 193 GLY H N 1 -ATOM 1732 C CA . GLY B 2 203 ? 11.111 -9.884 14.473 1.00 20.31 ? ? ? ? ? ? 193 GLY H CA 1 -ATOM 1733 C C . GLY B 2 203 ? 10.867 -8.588 15.260 1.00 19.47 ? ? ? ? ? ? 193 GLY H C 1 -ATOM 1734 O O . GLY B 2 203 ? 11.129 -7.572 14.605 1.00 20.88 ? ? ? ? ? ? 193 GLY H O 1 -ATOM 1735 N N . ASP B 2 204 ? 10.618 -8.644 16.536 1.00 19.06 ? ? ? ? ? ? 194 ASP H N 1 -ATOM 1736 C CA . ASP B 2 204 ? 10.494 -7.422 17.384 1.00 18.59 ? ? ? ? ? ? 194 ASP H CA 1 -ATOM 1737 C C . ASP B 2 204 ? 11.841 -6.870 17.911 1.00 18.96 ? ? ? ? ? ? 194 ASP H C 1 -ATOM 1738 O O . ASP B 2 204 ? 11.899 -5.652 18.341 1.00 18.38 ? ? ? ? ? ? 194 ASP H O 1 -ATOM 1739 C CB . ASP B 2 204 ? 9.528 -7.683 18.550 1.00 17.72 ? ? ? ? ? ? 194 ASP H CB 1 -ATOM 1740 C CG . ASP B 2 204 ? 8.097 -7.949 18.057 1.00 22.03 ? ? ? ? ? ? 194 ASP H CG 1 -ATOM 1741 O OD1 . ASP B 2 204 ? 7.729 -7.275 17.063 1.00 19.48 ? ? ? ? ? ? 194 ASP H OD1 1 -ATOM 1742 O OD2 . ASP B 2 204 ? 7.389 -8.756 18.686 1.00 18.00 ? ? ? ? ? ? 194 ASP H OD2 1 -ATOM 1743 N N . SER B 2 205 ? 12.900 -7.672 17.905 1.00 18.29 ? ? ? ? ? ? 195 SER H N 1 -ATOM 1744 C CA . SER B 2 205 ? 14.253 -7.236 18.352 1.00 18.29 ? ? ? ? ? ? 195 SER H CA 1 -ATOM 1745 C C . SER B 2 205 ? 14.588 -5.849 17.860 1.00 18.29 ? ? ? ? ? ? 195 SER H C 1 -ATOM 1746 O O . SER B 2 205 ? 14.352 -5.570 16.651 1.00 17.74 ? ? ? ? ? ? 195 SER H O 1 -ATOM 1747 C CB . SER B 2 205 ? 15.344 -8.176 17.808 1.00 17.07 ? ? ? ? ? ? 195 SER H CB 1 -ATOM 1748 O OG . SER B 2 205 ? 15.258 -9.367 18.561 1.00 17.71 ? ? ? ? ? ? 195 SER H OG 1 -ATOM 1749 N N . GLY B 2 206 ? 15.226 -5.062 18.746 1.00 16.11 ? ? ? ? ? ? 196 GLY H N 1 -ATOM 1750 C CA . GLY B 2 206 ? 15.648 -3.705 18.350 1.00 14.02 ? ? ? ? ? ? 196 GLY H CA 1 -ATOM 1751 C C . GLY B 2 206 ? 14.562 -2.654 18.404 1.00 13.56 ? ? ? ? ? ? 196 GLY H C 1 -ATOM 1752 O O . GLY B 2 206 ? 14.933 -1.460 18.394 1.00 14.18 ? ? ? ? ? ? 196 GLY H O 1 -ATOM 1753 N N . GLY B 2 207 ? 13.295 -2.970 18.601 1.00 14.59 ? ? ? ? ? ? 197 GLY H N 1 -ATOM 1754 C CA . GLY B 2 207 ? 12.260 -1.947 18.678 1.00 14.19 ? ? ? ? ? ? 197 GLY H CA 1 -ATOM 1755 C C . GLY B 2 207 ? 12.356 -1.204 20.014 1.00 16.21 ? ? ? ? ? ? 197 GLY H C 1 -ATOM 1756 O O . GLY B 2 207 ? 12.874 -1.667 21.073 1.00 14.66 ? ? ? ? ? ? 197 GLY H O 1 -ATOM 1757 N N . PRO B 2 208 ? 11.505 -0.172 20.090 1.00 17.01 ? ? ? ? ? ? 198 PRO H N 1 -ATOM 1758 C CA . PRO B 2 208 ? 11.463 0.711 21.275 1.00 16.09 ? ? ? ? ? ? 198 PRO H CA 1 -ATOM 1759 C C . PRO B 2 208 ? 10.543 0.271 22.331 1.00 15.65 ? ? ? ? ? ? 198 PRO H C 1 -ATOM 1760 O O . PRO B 2 208 ? 9.344 -0.098 22.087 1.00 17.31 ? ? ? ? ? ? 198 PRO H O 1 -ATOM 1761 C CB . PRO B 2 208 ? 10.961 2.085 20.760 1.00 16.61 ? ? ? ? ? ? 198 PRO H CB 1 -ATOM 1762 C CG . PRO B 2 208 ? 10.258 1.741 19.463 1.00 17.16 ? ? ? ? ? ? 198 PRO H CG 1 -ATOM 1763 C CD . PRO B 2 208 ? 10.846 0.472 18.916 1.00 17.08 ? ? ? ? ? ? 198 PRO H CD 1 -ATOM 1764 N N . PHE B 2 209 ? 10.958 0.442 23.586 1.00 14.16 ? ? ? ? ? ? 199 PHE H N 1 -ATOM 1765 C CA . PHE B 2 209 ? 10.079 0.297 24.767 1.00 12.84 ? ? ? ? ? ? 199 PHE H CA 1 -ATOM 1766 C C . PHE B 2 209 ? 9.866 1.767 25.220 1.00 13.93 ? ? ? ? ? ? 199 PHE H C 1 -ATOM 1767 O O . PHE B 2 209 ? 10.843 2.455 25.588 1.00 12.85 ? ? ? ? ? ? 199 PHE H O 1 -ATOM 1768 C CB . PHE B 2 209 ? 10.599 -0.689 25.831 1.00 12.14 ? ? ? ? ? ? 199 PHE H CB 1 -ATOM 1769 C CG . PHE B 2 209 ? 9.905 -0.735 27.125 1.00 13.41 ? ? ? ? ? ? 199 PHE H CG 1 -ATOM 1770 C CD1 . PHE B 2 209 ? 9.962 0.374 27.993 1.00 14.41 ? ? ? ? ? ? 199 PHE H CD1 1 -ATOM 1771 C CD2 . PHE B 2 209 ? 9.056 -1.781 27.532 1.00 14.18 ? ? ? ? ? ? 199 PHE H CD2 1 -ATOM 1772 C CE1 . PHE B 2 209 ? 9.254 0.471 29.189 1.00 15.19 ? ? ? ? ? ? 199 PHE H CE1 1 -ATOM 1773 C CE2 . PHE B 2 209 ? 8.368 -1.767 28.727 1.00 15.80 ? ? ? ? ? ? 199 PHE H CE2 1 -ATOM 1774 C CZ . PHE B 2 209 ? 8.470 -0.655 29.595 1.00 15.06 ? ? ? ? ? ? 199 PHE H CZ 1 -ATOM 1775 N N . VAL B 2 210 ? 8.643 2.289 25.080 1.00 14.06 ? ? ? ? ? ? 200 VAL H N 1 -ATOM 1776 C CA . VAL B 2 210 ? 8.403 3.739 25.392 1.00 13.54 ? ? ? ? ? ? 200 VAL H CA 1 -ATOM 1777 C C . VAL B 2 210 ? 7.474 3.902 26.536 1.00 13.21 ? ? ? ? ? ? 200 VAL H C 1 -ATOM 1778 O O . VAL B 2 210 ? 6.587 3.087 26.872 1.00 14.74 ? ? ? ? ? ? 200 VAL H O 1 -ATOM 1779 C CB . VAL B 2 210 ? 7.954 4.529 24.135 1.00 16.58 ? ? ? ? ? ? 200 VAL H CB 1 -ATOM 1780 C CG1 . VAL B 2 210 ? 8.843 4.496 22.925 1.00 17.04 ? ? ? ? ? ? 200 VAL H CG1 1 -ATOM 1781 C CG2 . VAL B 2 210 ? 6.514 4.110 23.750 1.00 12.57 ? ? ? ? ? ? 200 VAL H CG2 1 -ATOM 1782 N N . MET B 2 211 ? 7.559 5.120 27.104 1.00 14.33 ? ? ? ? ? ? 201 MET H N 1 -ATOM 1783 C CA . MET B 2 211 ? 6.742 5.606 28.181 1.00 15.31 ? ? ? ? ? ? 201 MET H CA 1 -ATOM 1784 C C . MET B 2 211 ? 6.333 7.056 27.914 1.00 16.28 ? ? ? ? ? ? 201 MET H C 1 -ATOM 1785 O O . MET B 2 211 ? 7.098 7.826 27.367 1.00 16.87 ? ? ? ? ? ? 201 MET H O 1 -ATOM 1786 C CB . MET B 2 211 ? 7.445 5.437 29.553 1.00 16.28 ? ? ? ? ? ? 201 MET H CB 1 -ATOM 1787 C CG . MET B 2 211 ? 7.592 3.969 29.901 1.00 19.43 ? ? ? ? ? ? 201 MET H CG 1 -ATOM 1788 S SD . MET B 2 211 ? 8.619 3.804 31.455 1.00 20.66 ? ? ? ? ? ? 201 MET H SD 1 -ATOM 1789 C CE . MET B 2 211 ? 7.214 3.618 32.543 1.00 17.74 ? ? ? ? ? ? 201 MET H CE 1 -ATOM 1790 N N . LYS B 2 212 ? 5.189 7.466 28.391 1.00 17.95 ? ? ? ? ? ? 202 LYS H N 1 -ATOM 1791 C CA . LYS B 2 212 ? 4.713 8.852 28.188 1.00 18.85 ? ? ? ? ? ? 202 LYS H CA 1 -ATOM 1792 C C . LYS B 2 212 ? 4.822 9.620 29.522 1.00 17.99 ? ? ? ? ? ? 202 LYS H C 1 -ATOM 1793 O O . LYS B 2 212 ? 4.256 9.177 30.524 1.00 18.68 ? ? ? ? ? ? 202 LYS H O 1 -ATOM 1794 C CB . LYS B 2 212 ? 3.259 8.895 27.743 1.00 17.01 ? ? ? ? ? ? 202 LYS H CB 1 -ATOM 1795 C CG . LYS B 2 212 ? 2.758 10.345 27.593 1.00 19.79 ? ? ? ? ? ? 202 LYS H CG 1 -ATOM 1796 C CD . LYS B 2 212 ? 1.591 10.319 26.593 1.00 19.51 ? ? ? ? ? ? 202 LYS H CD 1 -ATOM 1797 C CE . LYS B 2 212 ? 1.106 11.756 26.519 1.00 20.83 ? ? ? ? ? ? 202 LYS H CE 1 -ATOM 1798 N NZ . LYS B 2 212 ? -0.114 11.894 25.697 1.00 21.59 ? ? ? ? ? ? 202 LYS H NZ 1 -ATOM 1799 N N . SER B 2 213 ? 5.599 10.678 29.497 1.00 18.56 ? ? ? ? ? ? 203 SER H N 1 -ATOM 1800 C CA . SER B 2 213 ? 5.799 11.502 30.715 1.00 19.65 ? ? ? ? ? ? 203 SER H CA 1 -ATOM 1801 C C . SER B 2 213 ? 4.519 12.205 31.101 1.00 21.09 ? ? ? ? ? ? 203 SER H C 1 -ATOM 1802 O O . SER B 2 213 ? 3.967 12.942 30.245 1.00 21.74 ? ? ? ? ? ? 203 SER H O 1 -ATOM 1803 C CB . SER B 2 213 ? 7.011 12.451 30.569 1.00 21.74 ? ? ? ? ? ? 203 SER H CB 1 -ATOM 1804 O OG . SER B 2 213 ? 7.000 13.324 31.734 1.00 23.15 ? ? ? ? ? ? 203 SER H OG 1 -ATOM 1805 N N . PRO B 2 214 ? 4.118 12.002 32.352 1.00 21.10 ? ? ? ? ? ? 204 PRO H N 1 -ATOM 1806 C CA . PRO B 2 214 ? 2.926 12.644 32.926 1.00 21.31 ? ? ? ? ? ? 204 PRO H CA 1 -ATOM 1807 C C . PRO B 2 214 ? 3.216 14.134 33.225 1.00 21.80 ? ? ? ? ? ? 204 PRO H C 1 -ATOM 1808 O O . PRO B 2 214 ? 2.222 14.902 33.355 1.00 22.45 ? ? ? ? ? ? 204 PRO H O 1 -ATOM 1809 C CB . PRO B 2 214 ? 2.653 11.896 34.228 1.00 22.27 ? ? ? ? ? ? 204 PRO H CB 1 -ATOM 1810 C CG . PRO B 2 214 ? 3.895 11.118 34.545 1.00 21.36 ? ? ? ? ? ? 204 PRO H CG 1 -ATOM 1811 C CD . PRO B 2 214 ? 4.801 11.165 33.344 1.00 21.02 ? ? ? ? ? ? 204 PRO H CD 1 -ATOM 1812 N N . PHE B 2 215 A 4.450 14.564 33.171 1.00 21.39 ? ? ? ? ? ? 204 PHE H N 1 -ATOM 1813 C CA . PHE B 2 215 A 4.927 15.915 33.461 1.00 21.72 ? ? ? ? ? ? 204 PHE H CA 1 -ATOM 1814 C C . PHE B 2 215 A 4.954 16.845 32.251 1.00 21.80 ? ? ? ? ? ? 204 PHE H C 1 -ATOM 1815 O O . PHE B 2 215 A 4.723 18.070 32.396 1.00 20.38 ? ? ? ? ? ? 204 PHE H O 1 -ATOM 1816 C CB . PHE B 2 215 A 6.355 15.917 34.096 1.00 23.29 ? ? ? ? ? ? 204 PHE H CB 1 -ATOM 1817 C CG . PHE B 2 215 A 6.498 14.960 35.232 1.00 25.53 ? ? ? ? ? ? 204 PHE H CG 1 -ATOM 1818 C CD1 . PHE B 2 215 A 5.972 15.215 36.488 1.00 25.57 ? ? ? ? ? ? 204 PHE H CD1 1 -ATOM 1819 C CD2 . PHE B 2 215 A 7.175 13.753 35.036 1.00 29.03 ? ? ? ? ? ? 204 PHE H CD2 1 -ATOM 1820 C CE1 . PHE B 2 215 A 6.078 14.351 37.566 1.00 26.51 ? ? ? ? ? ? 204 PHE H CE1 1 -ATOM 1821 C CE2 . PHE B 2 215 A 7.286 12.815 36.090 1.00 26.64 ? ? ? ? ? ? 204 PHE H CE2 1 -ATOM 1822 C CZ . PHE B 2 215 A 6.706 13.116 37.329 1.00 27.07 ? ? ? ? ? ? 204 PHE H CZ 1 -ATOM 1823 N N . ASN B 2 216 B 5.385 16.261 31.119 1.00 21.40 ? ? ? ? ? ? 204 ASN H N 1 -ATOM 1824 C CA . ASN B 2 216 B 5.509 17.085 29.913 1.00 21.04 ? ? ? ? ? ? 204 ASN H CA 1 -ATOM 1825 C C . ASN B 2 216 B 4.790 16.490 28.691 1.00 21.76 ? ? ? ? ? ? 204 ASN H C 1 -ATOM 1826 O O . ASN B 2 216 B 5.009 17.055 27.612 1.00 20.28 ? ? ? ? ? ? 204 ASN H O 1 -ATOM 1827 C CB . ASN B 2 216 B 6.951 17.475 29.655 1.00 20.76 ? ? ? ? ? ? 204 ASN H CB 1 -ATOM 1828 C CG . ASN B 2 216 B 7.814 16.336 29.178 1.00 22.59 ? ? ? ? ? ? 204 ASN H CG 1 -ATOM 1829 O OD1 . ASN B 2 216 B 9.033 16.528 29.017 1.00 23.88 ? ? ? ? ? ? 204 ASN H OD1 1 -ATOM 1830 N ND2 . ASN B 2 216 B 7.222 15.157 29.061 1.00 17.69 ? ? ? ? ? ? 204 ASN H ND2 1 -ATOM 1831 N N . ASN B 2 217 ? 4.084 15.406 28.888 1.00 21.58 ? ? ? ? ? ? 205 ASN H N 1 -ATOM 1832 C CA . ASN B 2 217 ? 3.289 14.725 27.870 1.00 22.18 ? ? ? ? ? ? 205 ASN H CA 1 -ATOM 1833 C C . ASN B 2 217 ? 4.065 14.294 26.646 1.00 20.86 ? ? ? ? ? ? 205 ASN H C 1 -ATOM 1834 O O . ASN B 2 217 ? 3.489 13.983 25.605 1.00 20.50 ? ? ? ? ? ? 205 ASN H O 1 -ATOM 1835 C CB . ASN B 2 217 ? 2.049 15.612 27.605 1.00 32.85 ? ? ? ? ? ? 205 ASN H CB 1 -ATOM 1836 C CG . ASN B 2 217 ? 1.339 15.930 28.920 1.00 40.30 ? ? ? ? ? ? 205 ASN H CG 1 -ATOM 1837 O OD1 . ASN B 2 217 ? 0.444 15.198 29.421 1.00 46.03 ? ? ? ? ? ? 205 ASN H OD1 1 -ATOM 1838 N ND2 . ASN B 2 217 ? 1.742 17.000 29.648 1.00 45.85 ? ? ? ? ? ? 205 ASN H ND2 1 -ATOM 1839 N N . ARG B 2 218 ? 5.362 14.093 26.798 1.00 18.26 ? ? ? ? ? ? 206 ARG H N 1 -ATOM 1840 C CA . ARG B 2 218 ? 6.266 13.630 25.799 1.00 17.75 ? ? ? ? ? ? 206 ARG H CA 1 -ATOM 1841 C C . ARG B 2 218 ? 6.546 12.115 25.892 1.00 15.99 ? ? ? ? ? ? 206 ARG H C 1 -ATOM 1842 O O . ARG B 2 218 ? 6.569 11.608 27.014 1.00 15.23 ? ? ? ? ? ? 206 ARG H O 1 -ATOM 1843 C CB . ARG B 2 218 ? 7.602 14.343 25.856 1.00 17.83 ? ? ? ? ? ? 206 ARG H CB 1 -ATOM 1844 C CG . ARG B 2 218 ? 7.487 15.786 25.360 1.00 21.76 ? ? ? ? ? ? 206 ARG H CG 1 -ATOM 1845 C CD . ARG B 2 218 ? 8.877 16.247 25.091 1.00 23.08 ? ? ? ? ? ? 206 ARG H CD 1 -ATOM 1846 N NE . ARG B 2 218 ? 8.851 17.695 25.020 1.00 26.17 ? ? ? ? ? ? 206 ARG H NE 1 -ATOM 1847 C CZ . ARG B 2 218 ? 9.286 18.406 23.989 1.00 26.86 ? ? ? ? ? ? 206 ARG H CZ 1 -ATOM 1848 N NH1 . ARG B 2 218 ? 9.743 17.823 22.894 1.00 23.80 ? ? ? ? ? ? 206 ARG H NH1 1 -ATOM 1849 N NH2 . ARG B 2 218 ? 9.143 19.739 24.074 1.00 27.35 ? ? ? ? ? ? 206 ARG H NH2 1 -ATOM 1850 N N . TRP B 2 219 ? 6.797 11.497 24.738 1.00 14.22 ? ? ? ? ? ? 207 TRP H N 1 -ATOM 1851 C CA . TRP B 2 219 ? 7.148 10.056 24.721 1.00 14.96 ? ? ? ? ? ? 207 TRP H CA 1 -ATOM 1852 C C . TRP B 2 219 ? 8.659 9.894 24.815 1.00 13.46 ? ? ? ? ? ? 207 TRP H C 1 -ATOM 1853 O O . TRP B 2 219 ? 9.406 10.495 24.016 1.00 15.32 ? ? ? ? ? ? 207 TRP H O 1 -ATOM 1854 C CB . TRP B 2 219 ? 6.614 9.303 23.471 1.00 12.13 ? ? ? ? ? ? 207 TRP H CB 1 -ATOM 1855 C CG . TRP B 2 219 ? 5.144 9.099 23.529 1.00 15.65 ? ? ? ? ? ? 207 TRP H CG 1 -ATOM 1856 C CD1 . TRP B 2 219 ? 4.234 10.020 23.029 1.00 13.74 ? ? ? ? ? ? 207 TRP H CD1 1 -ATOM 1857 C CD2 . TRP B 2 219 ? 4.377 8.008 24.059 1.00 16.47 ? ? ? ? ? ? 207 TRP H CD2 1 -ATOM 1858 N NE1 . TRP B 2 219 ? 2.982 9.552 23.275 1.00 17.14 ? ? ? ? ? ? 207 TRP H NE1 1 -ATOM 1859 C CE2 . TRP B 2 219 ? 3.006 8.302 23.820 1.00 16.49 ? ? ? ? ? ? 207 TRP H CE2 1 -ATOM 1860 C CE3 . TRP B 2 219 ? 4.702 6.808 24.665 1.00 15.16 ? ? ? ? ? ? 207 TRP H CE3 1 -ATOM 1861 C CZ2 . TRP B 2 219 ? 1.959 7.507 24.262 1.00 14.33 ? ? ? ? ? ? 207 TRP H CZ2 1 -ATOM 1862 C CZ3 . TRP B 2 219 ? 3.674 5.925 24.984 1.00 16.11 ? ? ? ? ? ? 207 TRP H CZ3 1 -ATOM 1863 C CH2 . TRP B 2 219 ? 2.321 6.298 24.792 1.00 16.83 ? ? ? ? ? ? 207 TRP H CH2 1 -ATOM 1864 N N . TYR B 2 220 ? 9.086 9.033 25.741 1.00 13.30 ? ? ? ? ? ? 208 TYR H N 1 -ATOM 1865 C CA . TYR B 2 220 ? 10.559 8.747 25.886 1.00 14.13 ? ? ? ? ? ? 208 TYR H CA 1 -ATOM 1866 C C . TYR B 2 220 ? 10.887 7.286 25.614 1.00 15.30 ? ? ? ? ? ? 208 TYR H C 1 -ATOM 1867 O O . TYR B 2 220 ? 10.094 6.396 26.014 1.00 18.65 ? ? ? ? ? ? 208 TYR H O 1 -ATOM 1868 C CB . TYR B 2 220 ? 10.850 8.988 27.391 1.00 15.38 ? ? ? ? ? ? 208 TYR H CB 1 -ATOM 1869 C CG . TYR B 2 220 ? 10.892 10.501 27.643 1.00 14.76 ? ? ? ? ? ? 208 TYR H CG 1 -ATOM 1870 C CD1 . TYR B 2 220 ? 12.129 11.139 27.471 1.00 12.98 ? ? ? ? ? ? 208 TYR H CD1 1 -ATOM 1871 C CD2 . TYR B 2 220 ? 9.763 11.179 28.087 1.00 16.89 ? ? ? ? ? ? 208 TYR H CD2 1 -ATOM 1872 C CE1 . TYR B 2 220 ? 12.285 12.515 27.670 1.00 16.79 ? ? ? ? ? ? 208 TYR H CE1 1 -ATOM 1873 C CE2 . TYR B 2 220 ? 9.877 12.579 28.296 1.00 20.70 ? ? ? ? ? ? 208 TYR H CE2 1 -ATOM 1874 C CZ . TYR B 2 220 ? 11.131 13.186 28.081 1.00 20.33 ? ? ? ? ? ? 208 TYR H CZ 1 -ATOM 1875 O OH . TYR B 2 220 ? 11.238 14.544 28.302 1.00 25.15 ? ? ? ? ? ? 208 TYR H OH 1 -ATOM 1876 N N . GLN B 2 221 ? 12.006 7.003 24.995 1.00 15.70 ? ? ? ? ? ? 209 GLN H N 1 -ATOM 1877 C CA . GLN B 2 221 ? 12.394 5.605 24.736 1.00 14.88 ? ? ? ? ? ? 209 GLN H CA 1 -ATOM 1878 C C . GLN B 2 221 ? 13.198 5.123 25.979 1.00 14.89 ? ? ? ? ? ? 209 GLN H C 1 -ATOM 1879 O O . GLN B 2 221 ? 14.335 5.610 26.103 1.00 16.54 ? ? ? ? ? ? 209 GLN H O 1 -ATOM 1880 C CB . GLN B 2 221 ? 13.287 5.503 23.502 1.00 12.27 ? ? ? ? ? ? 209 GLN H CB 1 -ATOM 1881 C CG . GLN B 2 221 ? 13.667 4.000 23.353 1.00 13.46 ? ? ? ? ? ? 209 GLN H CG 1 -ATOM 1882 C CD . GLN B 2 221 ? 14.019 3.647 21.937 1.00 14.93 ? ? ? ? ? ? 209 GLN H CD 1 -ATOM 1883 O OE1 . GLN B 2 221 ? 14.070 4.501 21.026 1.00 15.78 ? ? ? ? ? ? 209 GLN H OE1 1 -ATOM 1884 N NE2 . GLN B 2 221 ? 14.484 2.419 21.827 1.00 14.59 ? ? ? ? ? ? 209 GLN H NE2 1 -ATOM 1885 N N . MET B 2 222 ? 12.585 4.324 26.856 1.00 14.58 ? ? ? ? ? ? 210 MET H N 1 -ATOM 1886 C CA . MET B 2 222 ? 13.315 3.845 28.050 1.00 15.49 ? ? ? ? ? ? 210 MET H CA 1 -ATOM 1887 C C . MET B 2 222 ? 14.131 2.602 27.748 1.00 15.94 ? ? ? ? ? ? 210 MET H C 1 -ATOM 1888 O O . MET B 2 222 ? 15.045 2.243 28.541 1.00 16.34 ? ? ? ? ? ? 210 MET H O 1 -ATOM 1889 C CB . MET B 2 222 ? 12.391 3.592 29.199 1.00 16.85 ? ? ? ? ? ? 210 MET H CB 1 -ATOM 1890 C CG . MET B 2 222 ? 11.362 4.674 29.494 1.00 23.27 ? ? ? ? ? ? 210 MET H CG 1 -ATOM 1891 S SD . MET B 2 222 ? 12.266 6.226 29.699 1.00 27.90 ? ? ? ? ? ? 210 MET H SD 1 -ATOM 1892 C CE . MET B 2 222 ? 13.236 5.922 31.162 1.00 28.22 ? ? ? ? ? ? 210 MET H CE 1 -ATOM 1893 N N . GLY B 2 223 ? 13.611 1.796 26.800 1.00 15.07 ? ? ? ? ? ? 211 GLY H N 1 -ATOM 1894 C CA . GLY B 2 223 ? 14.237 0.442 26.510 1.00 13.15 ? ? ? ? ? ? 211 GLY H CA 1 -ATOM 1895 C C . GLY B 2 223 ? 14.308 0.104 25.077 1.00 13.45 ? ? ? ? ? ? 211 GLY H C 1 -ATOM 1896 O O . GLY B 2 223 ? 13.704 0.776 24.154 1.00 13.55 ? ? ? ? ? ? 211 GLY H O 1 -ATOM 1897 N N . ILE B 2 224 ? 15.090 -0.921 24.746 1.00 14.64 ? ? ? ? ? ? 212 ILE H N 1 -ATOM 1898 C CA . ILE B 2 224 ? 15.277 -1.525 23.425 1.00 14.12 ? ? ? ? ? ? 212 ILE H CA 1 -ATOM 1899 C C . ILE B 2 224 ? 14.935 -3.015 23.593 1.00 15.95 ? ? ? ? ? ? 212 ILE H C 1 -ATOM 1900 O O . ILE B 2 224 ? 15.480 -3.644 24.522 1.00 13.70 ? ? ? ? ? ? 212 ILE H O 1 -ATOM 1901 C CB . ILE B 2 224 ? 16.686 -1.368 22.823 1.00 16.36 ? ? ? ? ? ? 212 ILE H CB 1 -ATOM 1902 C CG1 . ILE B 2 224 ? 17.072 0.127 22.640 1.00 14.66 ? ? ? ? ? ? 212 ILE H CG1 1 -ATOM 1903 C CG2 . ILE B 2 224 ? 17.034 -2.170 21.544 1.00 16.13 ? ? ? ? ? ? 212 ILE H CG2 1 -ATOM 1904 C CD1 . ILE B 2 224 ? 18.572 0.332 22.447 1.00 15.22 ? ? ? ? ? ? 212 ILE H CD1 1 -ATOM 1905 N N . VAL B 2 225 ? 14.011 -3.535 22.777 1.00 15.67 ? ? ? ? ? ? 213 VAL H N 1 -ATOM 1906 C CA . VAL B 2 225 ? 13.686 -4.975 22.804 1.00 15.34 ? ? ? ? ? ? 213 VAL H CA 1 -ATOM 1907 C C . VAL B 2 225 ? 14.986 -5.768 22.680 1.00 13.98 ? ? ? ? ? ? 213 VAL H C 1 -ATOM 1908 O O . VAL B 2 225 ? 15.723 -5.678 21.661 1.00 13.73 ? ? ? ? ? ? 213 VAL H O 1 -ATOM 1909 C CB . VAL B 2 225 ? 12.665 -5.348 21.687 1.00 15.73 ? ? ? ? ? ? 213 VAL H CB 1 -ATOM 1910 C CG1 . VAL B 2 225 ? 12.298 -6.865 21.793 1.00 16.34 ? ? ? ? ? ? 213 VAL H CG1 1 -ATOM 1911 C CG2 . VAL B 2 225 ? 11.394 -4.538 21.805 1.00 15.61 ? ? ? ? ? ? 213 VAL H CG2 1 -ATOM 1912 N N . SER B 2 226 ? 15.321 -6.522 23.721 1.00 15.92 ? ? ? ? ? ? 214 SER H N 1 -ATOM 1913 C CA . SER B 2 226 ? 16.606 -7.244 23.739 1.00 17.29 ? ? ? ? ? ? 214 SER H CA 1 -ATOM 1914 C C . SER B 2 226 ? 16.370 -8.739 23.677 1.00 20.27 ? ? ? ? ? ? 214 SER H C 1 -ATOM 1915 O O . SER B 2 226 ? 15.971 -9.239 22.611 1.00 23.50 ? ? ? ? ? ? 214 SER H O 1 -ATOM 1916 C CB . SER B 2 226 ? 17.489 -6.809 24.936 1.00 17.97 ? ? ? ? ? ? 214 SER H CB 1 -ATOM 1917 O OG . SER B 2 226 ? 18.771 -7.411 24.826 1.00 15.12 ? ? ? ? ? ? 214 SER H OG 1 -ATOM 1918 N N . TRP B 2 227 ? 16.373 -9.530 24.718 1.00 21.61 ? ? ? ? ? ? 215 TRP H N 1 -ATOM 1919 C CA . TRP B 2 227 ? 16.308 -11.000 24.665 1.00 21.41 ? ? ? ? ? ? 215 TRP H CA 1 -ATOM 1920 C C . TRP B 2 227 ? 15.187 -11.477 25.530 1.00 20.47 ? ? ? ? ? ? 215 TRP H C 1 -ATOM 1921 O O . TRP B 2 227 ? 14.602 -10.741 26.337 1.00 21.24 ? ? ? ? ? ? 215 TRP H O 1 -ATOM 1922 C CB . TRP B 2 227 ? 17.699 -11.587 24.986 1.00 22.92 ? ? ? ? ? ? 215 TRP H CB 1 -ATOM 1923 C CG . TRP B 2 227 ? 18.199 -11.273 26.362 1.00 23.45 ? ? ? ? ? ? 215 TRP H CG 1 -ATOM 1924 C CD1 . TRP B 2 227 ? 19.074 -10.274 26.711 1.00 22.58 ? ? ? ? ? ? 215 TRP H CD1 1 -ATOM 1925 C CD2 . TRP B 2 227 ? 17.851 -11.927 27.598 1.00 25.62 ? ? ? ? ? ? 215 TRP H CD2 1 -ATOM 1926 N NE1 . TRP B 2 227 ? 19.342 -10.299 28.048 1.00 22.18 ? ? ? ? ? ? 215 TRP H NE1 1 -ATOM 1927 C CE2 . TRP B 2 227 ? 18.640 -11.318 28.619 1.00 24.65 ? ? ? ? ? ? 215 TRP H CE2 1 -ATOM 1928 C CE3 . TRP B 2 227 ? 17.105 -13.065 27.931 1.00 22.87 ? ? ? ? ? ? 215 TRP H CE3 1 -ATOM 1929 C CZ2 . TRP B 2 227 ? 18.556 -11.747 29.951 1.00 24.53 ? ? ? ? ? ? 215 TRP H CZ2 1 -ATOM 1930 C CZ3 . TRP B 2 227 ? 17.065 -13.526 29.224 1.00 21.64 ? ? ? ? ? ? 215 TRP H CZ3 1 -ATOM 1931 C CH2 . TRP B 2 227 ? 17.766 -12.853 30.252 1.00 23.18 ? ? ? ? ? ? 215 TRP H CH2 1 -ATOM 1932 N N . GLY B 2 228 ? 14.785 -12.720 25.303 1.00 21.06 ? ? ? ? ? ? 216 GLY H N 1 -ATOM 1933 C CA . GLY B 2 228 ? 13.751 -13.323 26.187 1.00 21.45 ? ? ? ? ? ? 216 GLY H CA 1 -ATOM 1934 C C . GLY B 2 228 ? 13.869 -14.830 25.859 1.00 21.97 ? ? ? ? ? ? 216 GLY H C 1 -ATOM 1935 O O . GLY B 2 228 ? 14.414 -15.179 24.801 1.00 22.20 ? ? ? ? ? ? 216 GLY H O 1 -ATOM 1936 N N . GLU B 2 229 ? 13.353 -15.568 26.809 1.00 23.37 ? ? ? ? ? ? 217 GLU H N 1 -ATOM 1937 C CA . GLU B 2 229 ? 13.368 -17.060 26.659 1.00 23.96 ? ? ? ? ? ? 217 GLU H CA 1 -ATOM 1938 C C . GLU B 2 229 ? 11.988 -17.415 26.095 1.00 23.43 ? ? ? ? ? ? 217 GLU H C 1 -ATOM 1939 O O . GLU B 2 229 ? 10.965 -17.422 26.763 1.00 24.41 ? ? ? ? ? ? 217 GLU H O 1 -ATOM 1940 C CB . GLU B 2 229 ? 13.615 -17.665 28.015 1.00 27.58 ? ? ? ? ? ? 217 GLU H CB 1 -ATOM 1941 C CG . GLU B 2 229 ? 15.029 -17.356 28.590 1.00 31.78 ? ? ? ? ? ? 217 GLU H CG 1 -ATOM 1942 C CD . GLU B 2 229 ? 15.128 -17.712 30.050 1.00 36.19 ? ? ? ? ? ? 217 GLU H CD 1 -ATOM 1943 O OE1 . GLU B 2 229 ? 14.903 -18.805 30.542 1.00 40.44 ? ? ? ? ? ? 217 GLU H OE1 1 -ATOM 1944 O OE2 . GLU B 2 229 ? 15.149 -16.711 30.792 1.00 41.12 ? ? ? ? ? ? 217 GLU H OE2 1 -ATOM 1945 N N . GLY B 2 230 ? 12.014 -17.482 24.786 1.00 24.03 ? ? ? ? ? ? 219 GLY H N 1 -ATOM 1946 C CA . GLY B 2 230 ? 10.776 -17.729 24.010 1.00 24.34 ? ? ? ? ? ? 219 GLY H CA 1 -ATOM 1947 C C . GLY B 2 230 ? 10.003 -16.403 23.954 1.00 24.72 ? ? ? ? ? ? 219 GLY H C 1 -ATOM 1948 O O . GLY B 2 230 ? 10.623 -15.314 24.083 1.00 22.87 ? ? ? ? ? ? 219 GLY H O 1 -ATOM 1949 N N . CYS B 2 231 ? 8.679 -16.582 23.893 1.00 23.95 ? ? ? ? ? ? 220 CYS H N 1 -ATOM 1950 C CA . CYS B 2 231 ? 7.786 -15.425 23.780 1.00 25.50 ? ? ? ? ? ? 220 CYS H CA 1 -ATOM 1951 C C . CYS B 2 231 ? 6.563 -15.668 24.609 1.00 25.92 ? ? ? ? ? ? 220 CYS H C 1 -ATOM 1952 O O . CYS B 2 231 ? 5.913 -16.678 24.241 1.00 28.14 ? ? ? ? ? ? 220 CYS H O 1 -ATOM 1953 C CB . CYS B 2 231 ? 7.384 -15.102 22.325 1.00 21.07 ? ? ? ? ? ? 220 CYS H CB 1 -ATOM 1954 S SG . CYS B 2 231 ? 8.613 -15.216 21.059 1.00 26.06 ? ? ? ? ? ? 220 CYS H SG 1 -ATOM 1955 N N . ASP B 2 232 ? 6.170 -14.852 25.540 1.00 25.60 ? ? ? ? ? ? 221 ASP H N 1 -ATOM 1956 C CA . ASP B 2 232 ? 4.976 -14.957 26.322 1.00 26.54 ? ? ? ? ? ? 221 ASP H CA 1 -ATOM 1957 C C . ASP B 2 232 ? 4.846 -16.216 27.182 1.00 28.22 ? ? ? ? ? ? 221 ASP H C 1 -ATOM 1958 O O . ASP B 2 232 ? 3.694 -16.718 27.380 1.00 29.09 ? ? ? ? ? ? 221 ASP H O 1 -ATOM 1959 C CB . ASP B 2 232 ? 3.743 -14.758 25.416 1.00 26.11 ? ? ? ? ? ? 221 ASP H CB 1 -ATOM 1960 C CG . ASP B 2 232 ? 2.528 -14.280 26.194 1.00 26.53 ? ? ? ? ? ? 221 ASP H CG 1 -ATOM 1961 O OD1 . ASP B 2 232 ? 2.656 -13.422 27.083 1.00 26.96 ? ? ? ? ? ? 221 ASP H OD1 1 -ATOM 1962 O OD2 . ASP B 2 232 ? 1.405 -14.833 25.996 1.00 29.46 ? ? ? ? ? ? 221 ASP H OD2 1 -ATOM 1963 N N . ARG B 2 233 A 5.963 -16.715 27.669 1.00 28.59 ? ? ? ? ? ? 221 ARG H N 1 -ATOM 1964 C CA . ARG B 2 233 A 5.953 -17.936 28.522 1.00 28.59 ? ? ? ? ? ? 221 ARG H CA 1 -ATOM 1965 C C . ARG B 2 233 A 5.498 -17.610 29.917 1.00 28.58 ? ? ? ? ? ? 221 ARG H C 1 -ATOM 1966 O O . ARG B 2 233 A 6.009 -16.543 30.324 1.00 27.18 ? ? ? ? ? ? 221 ARG H O 1 -ATOM 1967 C CB . ARG B 2 233 A 7.412 -18.400 28.644 1.00 30.21 ? ? ? ? ? ? 221 ARG H CB 1 -ATOM 1968 C CG . ARG B 2 233 A 8.072 -18.747 27.335 1.00 32.69 ? ? ? ? ? ? 221 ARG H CG 1 -ATOM 1969 C CD . ARG B 2 233 A 7.996 -20.194 27.078 1.00 34.73 ? ? ? ? ? ? 221 ARG H CD 1 -ATOM 1970 N NE . ARG B 2 233 A 8.860 -20.645 26.016 1.00 36.26 ? ? ? ? ? ? 221 ARG H NE 1 -ATOM 1971 C CZ . ARG B 2 233 A 10.178 -20.730 25.995 1.00 38.23 ? ? ? ? ? ? 221 ARG H CZ 1 -ATOM 1972 N NH1 . ARG B 2 233 A 10.941 -20.348 27.021 1.00 41.22 ? ? ? ? ? ? 221 ARG H NH1 1 -ATOM 1973 N NH2 . ARG B 2 233 A 10.779 -21.190 24.894 1.00 37.73 ? ? ? ? ? ? 221 ARG H NH2 1 -ATOM 1974 N N . ASP B 2 234 ? 4.704 -18.372 30.668 1.00 30.00 ? ? ? ? ? ? 222 ASP H N 1 -ATOM 1975 C CA . ASP B 2 234 ? 4.402 -18.026 32.075 1.00 30.15 ? ? ? ? ? ? 222 ASP H CA 1 -ATOM 1976 C C . ASP B 2 234 ? 5.687 -18.059 32.907 1.00 30.39 ? ? ? ? ? ? 222 ASP H C 1 -ATOM 1977 O O . ASP B 2 234 ? 6.544 -18.925 32.650 1.00 30.96 ? ? ? ? ? ? 222 ASP H O 1 -ATOM 1978 C CB . ASP B 2 234 ? 3.328 -18.864 32.739 1.00 37.81 ? ? ? ? ? ? 222 ASP H CB 1 -ATOM 1979 C CG . ASP B 2 234 ? 1.955 -18.485 32.154 1.00 42.97 ? ? ? ? ? ? 222 ASP H CG 1 -ATOM 1980 O OD1 . ASP B 2 234 ? 1.933 -17.562 31.316 1.00 44.41 ? ? ? ? ? ? 222 ASP H OD1 1 -ATOM 1981 O OD2 . ASP B 2 234 ? 0.973 -19.161 32.511 1.00 47.70 ? ? ? ? ? ? 222 ASP H OD2 1 -ATOM 1982 N N . GLY B 2 235 ? 5.756 -17.145 33.856 1.00 29.24 ? ? ? ? ? ? 223 GLY H N 1 -ATOM 1983 C CA . GLY B 2 235 ? 6.965 -17.012 34.664 1.00 28.19 ? ? ? ? ? ? 223 GLY H CA 1 -ATOM 1984 C C . GLY B 2 235 ? 8.226 -16.554 33.987 1.00 28.00 ? ? ? ? ? ? 223 GLY H C 1 -ATOM 1985 O O . GLY B 2 235 ? 9.314 -16.472 34.627 1.00 28.96 ? ? ? ? ? ? 223 GLY H O 1 -ATOM 1986 N N . LYS B 2 236 ? 8.221 -16.215 32.697 1.00 26.23 ? ? ? ? ? ? 224 LYS H N 1 -ATOM 1987 C CA . LYS B 2 236 ? 9.406 -15.671 32.047 1.00 23.04 ? ? ? ? ? ? 224 LYS H CA 1 -ATOM 1988 C C . LYS B 2 236 ? 9.079 -14.196 31.718 1.00 23.64 ? ? ? ? ? ? 224 LYS H C 1 -ATOM 1989 O O . LYS B 2 236 ? 7.889 -13.854 31.634 1.00 22.97 ? ? ? ? ? ? 224 LYS H O 1 -ATOM 1990 C CB . LYS B 2 236 ? 9.752 -16.456 30.829 1.00 26.56 ? ? ? ? ? ? 224 LYS H CB 1 -ATOM 1991 C CG . LYS B 2 236 ? 10.074 -17.956 31.031 1.00 28.42 ? ? ? ? ? ? 224 LYS H CG 1 -ATOM 1992 C CD . LYS B 2 236 ? 11.380 -18.050 31.810 1.00 29.20 ? ? ? ? ? ? 224 LYS H CD 1 -ATOM 1993 C CE . LYS B 2 236 ? 11.998 -19.410 31.889 1.00 30.57 ? ? ? ? ? ? 224 LYS H CE 1 -ATOM 1994 N NZ . LYS B 2 236 ? 13.405 -19.291 32.379 1.00 33.38 ? ? ? ? ? ? 224 LYS H NZ 1 -ATOM 1995 N N . TYR B 2 237 ? 10.070 -13.371 31.434 1.00 22.24 ? ? ? ? ? ? 225 TYR H N 1 -ATOM 1996 C CA . TYR B 2 237 ? 9.903 -11.954 31.154 1.00 21.70 ? ? ? ? ? ? 225 TYR H CA 1 -ATOM 1997 C C . TYR B 2 237 ? 10.780 -11.490 30.008 1.00 20.33 ? ? ? ? ? ? 225 TYR H C 1 -ATOM 1998 O O . TYR B 2 237 ? 11.925 -11.940 29.746 1.00 22.01 ? ? ? ? ? ? 225 TYR H O 1 -ATOM 1999 C CB . TYR B 2 237 ? 10.284 -11.085 32.410 1.00 21.47 ? ? ? ? ? ? 225 TYR H CB 1 -ATOM 2000 C CG . TYR B 2 237 ? 9.429 -11.477 33.591 1.00 24.02 ? ? ? ? ? ? 225 TYR H CG 1 -ATOM 2001 C CD1 . TYR B 2 237 ? 8.161 -10.945 33.764 1.00 22.65 ? ? ? ? ? ? 225 TYR H CD1 1 -ATOM 2002 C CD2 . TYR B 2 237 ? 9.867 -12.513 34.455 1.00 23.64 ? ? ? ? ? ? 225 TYR H CD2 1 -ATOM 2003 C CE1 . TYR B 2 237 ? 7.354 -11.355 34.819 1.00 24.57 ? ? ? ? ? ? 225 TYR H CE1 1 -ATOM 2004 C CE2 . TYR B 2 237 ? 9.043 -12.967 35.451 1.00 23.55 ? ? ? ? ? ? 225 TYR H CE2 1 -ATOM 2005 C CZ . TYR B 2 237 ? 7.806 -12.393 35.627 1.00 24.15 ? ? ? ? ? ? 225 TYR H CZ 1 -ATOM 2006 O OH . TYR B 2 237 ? 6.972 -12.783 36.636 1.00 28.51 ? ? ? ? ? ? 225 TYR H OH 1 -ATOM 2007 N N . GLY B 2 238 ? 10.261 -10.462 29.292 1.00 19.77 ? ? ? ? ? ? 226 GLY H N 1 -ATOM 2008 C CA . GLY B 2 238 ? 11.081 -9.903 28.175 1.00 18.41 ? ? ? ? ? ? 226 GLY H CA 1 -ATOM 2009 C C . GLY B 2 238 ? 12.167 -8.985 28.809 1.00 17.40 ? ? ? ? ? ? 226 GLY H C 1 -ATOM 2010 O O . GLY B 2 238 ? 11.864 -8.312 29.790 1.00 16.35 ? ? ? ? ? ? 226 GLY H O 1 -ATOM 2011 N N . PHE B 2 239 ? 13.333 -9.084 28.215 1.00 19.27 ? ? ? ? ? ? 227 PHE H N 1 -ATOM 2012 C CA . PHE B 2 239 ? 14.485 -8.240 28.627 1.00 19.23 ? ? ? ? ? ? 227 PHE H CA 1 -ATOM 2013 C C . PHE B 2 239 ? 14.693 -7.115 27.600 1.00 18.29 ? ? ? ? ? ? 227 PHE H C 1 -ATOM 2014 O O . PHE B 2 239 ? 14.626 -7.328 26.379 1.00 17.68 ? ? ? ? ? ? 227 PHE H O 1 -ATOM 2015 C CB . PHE B 2 239 ? 15.789 -9.006 28.918 1.00 20.21 ? ? ? ? ? ? 227 PHE H CB 1 -ATOM 2016 C CG . PHE B 2 239 ? 15.671 -9.703 30.269 1.00 20.91 ? ? ? ? ? ? 227 PHE H CG 1 -ATOM 2017 C CD1 . PHE B 2 239 ? 14.890 -10.839 30.404 1.00 21.16 ? ? ? ? ? ? 227 PHE H CD1 1 -ATOM 2018 C CD2 . PHE B 2 239 ? 16.318 -9.175 31.412 1.00 22.49 ? ? ? ? ? ? 227 PHE H CD2 1 -ATOM 2019 C CE1 . PHE B 2 239 ? 14.715 -11.452 31.649 1.00 22.50 ? ? ? ? ? ? 227 PHE H CE1 1 -ATOM 2020 C CE2 . PHE B 2 239 ? 16.201 -9.843 32.664 1.00 19.50 ? ? ? ? ? ? 227 PHE H CE2 1 -ATOM 2021 C CZ . PHE B 2 239 ? 15.380 -10.952 32.784 1.00 19.05 ? ? ? ? ? ? 227 PHE H CZ 1 -ATOM 2022 N N . TYR B 2 240 ? 15.092 -5.955 28.139 1.00 17.30 ? ? ? ? ? ? 228 TYR H N 1 -ATOM 2023 C CA . TYR B 2 240 ? 15.278 -4.713 27.387 1.00 15.93 ? ? ? ? ? ? 228 TYR H CA 1 -ATOM 2024 C C . TYR B 2 240 ? 16.570 -4.016 27.778 1.00 16.35 ? ? ? ? ? ? 228 TYR H C 1 -ATOM 2025 O O . TYR B 2 240 ? 16.918 -3.937 28.965 1.00 15.57 ? ? ? ? ? ? 228 TYR H O 1 -ATOM 2026 C CB . TYR B 2 240 ? 14.125 -3.749 27.770 1.00 16.02 ? ? ? ? ? ? 228 TYR H CB 1 -ATOM 2027 C CG . TYR B 2 240 ? 12.770 -4.336 27.409 1.00 15.42 ? ? ? ? ? ? 228 TYR H CG 1 -ATOM 2028 C CD1 . TYR B 2 240 ? 12.094 -5.209 28.237 1.00 15.44 ? ? ? ? ? ? 228 TYR H CD1 1 -ATOM 2029 C CD2 . TYR B 2 240 ? 12.310 -4.145 26.066 1.00 16.40 ? ? ? ? ? ? 228 TYR H CD2 1 -ATOM 2030 C CE1 . TYR B 2 240 ? 10.918 -5.826 27.846 1.00 18.24 ? ? ? ? ? ? 228 TYR H CE1 1 -ATOM 2031 C CE2 . TYR B 2 240 ? 11.090 -4.684 25.734 1.00 17.72 ? ? ? ? ? ? 228 TYR H CE2 1 -ATOM 2032 C CZ . TYR B 2 240 ? 10.525 -5.651 26.508 1.00 17.58 ? ? ? ? ? ? 228 TYR H CZ 1 -ATOM 2033 O OH . TYR B 2 240 ? 9.382 -6.268 26.033 1.00 19.27 ? ? ? ? ? ? 228 TYR H OH 1 -ATOM 2034 N N . THR B 2 241 ? 17.204 -3.456 26.788 1.00 16.21 ? ? ? ? ? ? 229 THR H N 1 -ATOM 2035 C CA . THR B 2 241 ? 18.379 -2.605 27.001 1.00 17.99 ? ? ? ? ? ? 229 THR H CA 1 -ATOM 2036 C C . THR B 2 241 ? 17.927 -1.373 27.795 1.00 18.40 ? ? ? ? ? ? 229 THR H C 1 -ATOM 2037 O O . THR B 2 241 ? 16.942 -0.701 27.435 1.00 17.48 ? ? ? ? ? ? 229 THR H O 1 -ATOM 2038 C CB . THR B 2 241 ? 19.120 -2.217 25.696 1.00 17.72 ? ? ? ? ? ? 229 THR H CB 1 -ATOM 2039 O OG1 . THR B 2 241 ? 19.351 -3.490 25.005 1.00 19.01 ? ? ? ? ? ? 229 THR H OG1 1 -ATOM 2040 C CG2 . THR B 2 241 ? 20.470 -1.488 25.935 1.00 18.37 ? ? ? ? ? ? 229 THR H CG2 1 -ATOM 2041 N N . HIS B 2 242 ? 18.788 -0.999 28.758 1.00 18.44 ? ? ? ? ? ? 230 HIS H N 1 -ATOM 2042 C CA . HIS B 2 242 ? 18.433 0.202 29.608 1.00 18.69 ? ? ? ? ? ? 230 HIS H CA 1 -ATOM 2043 C C . HIS B 2 242 ? 19.066 1.410 28.948 1.00 19.04 ? ? ? ? ? ? 230 HIS H C 1 -ATOM 2044 O O . HIS B 2 242 ? 20.296 1.633 29.007 1.00 20.71 ? ? ? ? ? ? 230 HIS H O 1 -ATOM 2045 C CB . HIS B 2 242 ? 19.095 0.073 30.990 1.00 16.82 ? ? ? ? ? ? 230 HIS H CB 1 -ATOM 2046 C CG . HIS B 2 242 ? 18.507 0.939 32.012 1.00 16.75 ? ? ? ? ? ? 230 HIS H CG 1 -ATOM 2047 N ND1 . HIS B 2 242 ? 18.577 2.312 31.982 1.00 19.00 ? ? ? ? ? ? 230 HIS H ND1 1 -ATOM 2048 C CD2 . HIS B 2 242 ? 18.071 0.555 33.244 1.00 19.97 ? ? ? ? ? ? 230 HIS H CD2 1 -ATOM 2049 C CE1 . HIS B 2 242 ? 18.132 2.763 33.160 1.00 17.82 ? ? ? ? ? ? 230 HIS H CE1 1 -ATOM 2050 N NE2 . HIS B 2 242 ? 17.738 1.736 33.896 1.00 18.17 ? ? ? ? ? ? 230 HIS H NE2 1 -ATOM 2051 N N . VAL B 2 243 ? 18.211 2.167 28.284 1.00 17.94 ? ? ? ? ? ? 231 VAL H N 1 -ATOM 2052 C CA . VAL B 2 243 ? 18.756 3.225 27.392 1.00 17.76 ? ? ? ? ? ? 231 VAL H CA 1 -ATOM 2053 C C . VAL B 2 243 ? 19.478 4.290 28.230 1.00 16.78 ? ? ? ? ? ? 231 VAL H C 1 -ATOM 2054 O O . VAL B 2 243 ? 20.466 4.804 27.702 1.00 16.46 ? ? ? ? ? ? 231 VAL H O 1 -ATOM 2055 C CB . VAL B 2 243 ? 17.610 3.753 26.442 1.00 14.85 ? ? ? ? ? ? 231 VAL H CB 1 -ATOM 2056 C CG1 . VAL B 2 243 ? 18.145 4.934 25.657 1.00 16.57 ? ? ? ? ? ? 231 VAL H CG1 1 -ATOM 2057 C CG2 . VAL B 2 243 ? 17.231 2.612 25.493 1.00 13.66 ? ? ? ? ? ? 231 VAL H CG2 1 -ATOM 2058 N N . PHE B 2 244 ? 18.840 4.722 29.296 1.00 18.24 ? ? ? ? ? ? 232 PHE H N 1 -ATOM 2059 C CA . PHE B 2 244 ? 19.428 5.808 30.098 1.00 19.11 ? ? ? ? ? ? 232 PHE H CA 1 -ATOM 2060 C C . PHE B 2 244 ? 20.842 5.441 30.530 1.00 20.35 ? ? ? ? ? ? 232 PHE H C 1 -ATOM 2061 O O . PHE B 2 244 ? 21.780 6.247 30.425 1.00 21.42 ? ? ? ? ? ? 232 PHE H O 1 -ATOM 2062 C CB . PHE B 2 244 ? 18.504 6.185 31.271 1.00 21.76 ? ? ? ? ? ? 232 PHE H CB 1 -ATOM 2063 C CG . PHE B 2 244 ? 19.189 7.338 32.038 1.00 25.25 ? ? ? ? ? ? 232 PHE H CG 1 -ATOM 2064 C CD1 . PHE B 2 244 ? 19.493 8.487 31.289 1.00 26.71 ? ? ? ? ? ? 232 PHE H CD1 1 -ATOM 2065 C CD2 . PHE B 2 244 ? 19.814 7.109 33.260 1.00 24.71 ? ? ? ? ? ? 232 PHE H CD2 1 -ATOM 2066 C CE1 . PHE B 2 244 ? 20.372 9.451 31.777 1.00 29.08 ? ? ? ? ? ? 232 PHE H CE1 1 -ATOM 2067 C CE2 . PHE B 2 244 ? 20.701 8.096 33.775 1.00 26.67 ? ? ? ? ? ? 232 PHE H CE2 1 -ATOM 2068 C CZ . PHE B 2 244 ? 20.870 9.305 33.072 1.00 27.66 ? ? ? ? ? ? 232 PHE H CZ 1 -ATOM 2069 N N . ARG B 2 245 ? 21.080 4.253 31.029 1.00 21.46 ? ? ? ? ? ? 233 ARG H N 1 -ATOM 2070 C CA . ARG B 2 245 ? 22.455 3.864 31.445 1.00 22.63 ? ? ? ? ? ? 233 ARG H CA 1 -ATOM 2071 C C . ARG B 2 245 ? 23.455 3.962 30.319 1.00 24.00 ? ? ? ? ? ? 233 ARG H C 1 -ATOM 2072 O O . ARG B 2 245 ? 24.683 3.908 30.601 1.00 24.83 ? ? ? ? ? ? 233 ARG H O 1 -ATOM 2073 C CB . ARG B 2 245 ? 22.536 2.386 31.817 1.00 26.80 ? ? ? ? ? ? 233 ARG H CB 1 -ATOM 2074 C CG . ARG B 2 245 ? 21.602 2.102 32.977 1.00 31.43 ? ? ? ? ? ? 233 ARG H CG 1 -ATOM 2075 C CD . ARG B 2 245 ? 22.298 1.106 33.854 1.00 39.44 ? ? ? ? ? ? 233 ARG H CD 1 -ATOM 2076 N NE . ARG B 2 245 ? 23.023 1.841 34.843 1.00 44.21 ? ? ? ? ? ? 233 ARG H NE 1 -ATOM 2077 C CZ . ARG B 2 245 ? 24.240 1.600 35.361 1.00 46.27 ? ? ? ? ? ? 233 ARG H CZ 1 -ATOM 2078 N NH1 . ARG B 2 245 ? 25.063 0.637 34.944 1.00 45.00 ? ? ? ? ? ? 233 ARG H NH1 1 -ATOM 2079 N NH2 . ARG B 2 245 ? 24.428 2.304 36.492 1.00 46.61 ? ? ? ? ? ? 233 ARG H NH2 1 -ATOM 2080 N N . LEU B 2 246 ? 23.073 3.788 29.066 1.00 23.29 ? ? ? ? ? ? 234 LEU H N 1 -ATOM 2081 C CA . LEU B 2 246 ? 24.046 3.851 27.964 1.00 23.68 ? ? ? ? ? ? 234 LEU H CA 1 -ATOM 2082 C C . LEU B 2 246 ? 24.018 5.171 27.239 1.00 23.98 ? ? ? ? ? ? 234 LEU H C 1 -ATOM 2083 O O . LEU B 2 246 ? 24.509 5.281 26.110 1.00 26.02 ? ? ? ? ? ? 234 LEU H O 1 -ATOM 2084 C CB . LEU B 2 246 ? 23.797 2.636 27.041 1.00 24.51 ? ? ? ? ? ? 234 LEU H CB 1 -ATOM 2085 C CG . LEU B 2 246 ? 23.908 1.295 27.764 1.00 25.18 ? ? ? ? ? ? 234 LEU H CG 1 -ATOM 2086 C CD1 . LEU B 2 246 ? 23.276 0.178 26.942 1.00 27.29 ? ? ? ? ? ? 234 LEU H CD1 1 -ATOM 2087 C CD2 . LEU B 2 246 ? 25.397 1.026 27.852 1.00 28.04 ? ? ? ? ? ? 234 LEU H CD2 1 -ATOM 2088 N N . LYS B 2 247 ? 23.302 6.118 27.762 1.00 25.54 ? ? ? ? ? ? 235 LYS H N 1 -ATOM 2089 C CA . LYS B 2 247 ? 23.039 7.463 27.216 1.00 27.14 ? ? ? ? ? ? 235 LYS H CA 1 -ATOM 2090 C C . LYS B 2 247 ? 24.346 8.210 26.969 1.00 28.38 ? ? ? ? ? ? 235 LYS H C 1 -ATOM 2091 O O . LYS B 2 247 ? 24.494 8.948 25.948 1.00 28.59 ? ? ? ? ? ? 235 LYS H O 1 -ATOM 2092 C CB . LYS B 2 247 ? 22.048 8.129 28.128 1.00 27.97 ? ? ? ? ? ? 235 LYS H CB 1 -ATOM 2093 C CG . LYS B 2 247 ? 21.566 9.565 27.994 1.00 34.05 ? ? ? ? ? ? 235 LYS H CG 1 -ATOM 2094 C CD . LYS B 2 247 ? 21.240 9.920 26.560 1.00 33.87 ? ? ? ? ? ? 235 LYS H CD 1 -ATOM 2095 C CE . LYS B 2 247 ? 20.053 10.843 26.471 1.00 35.56 ? ? ? ? ? ? 235 LYS H CE 1 -ATOM 2096 N NZ . LYS B 2 247 ? 20.077 11.883 27.522 1.00 34.84 ? ? ? ? ? ? 235 LYS H NZ 1 -ATOM 2097 N N . LYS B 2 248 ? 25.338 7.972 27.828 1.00 28.43 ? ? ? ? ? ? 236 LYS H N 1 -ATOM 2098 C CA . LYS B 2 248 ? 26.609 8.661 27.621 1.00 29.39 ? ? ? ? ? ? 236 LYS H CA 1 -ATOM 2099 C C . LYS B 2 248 ? 27.294 8.131 26.381 1.00 28.78 ? ? ? ? ? ? 236 LYS H C 1 -ATOM 2100 O O . LYS B 2 248 ? 27.843 8.964 25.615 1.00 29.42 ? ? ? ? ? ? 236 LYS H O 1 -ATOM 2101 C CB . LYS B 2 248 ? 27.488 8.755 28.835 1.00 36.70 ? ? ? ? ? ? 236 LYS H CB 1 -ATOM 2102 C CG . LYS B 2 248 ? 27.062 9.814 29.845 1.00 44.54 ? ? ? ? ? ? 236 LYS H CG 1 -ATOM 2103 C CD . LYS B 2 248 ? 26.357 9.339 31.095 1.00 49.94 ? ? ? ? ? ? 236 LYS H CD 1 -ATOM 2104 C CE . LYS B 2 248 ? 24.954 8.761 30.966 1.00 50.00 ? ? ? ? ? ? 236 LYS H CE 1 -ATOM 2105 N NZ . LYS B 2 248 ? 23.879 9.805 30.971 1.00 50.00 ? ? ? ? ? ? 236 LYS H NZ 1 -ATOM 2106 N N . TRP B 2 249 ? 27.279 6.834 26.140 1.00 27.50 ? ? ? ? ? ? 237 TRP H N 1 -ATOM 2107 C CA . TRP B 2 249 ? 27.853 6.262 24.899 1.00 27.00 ? ? ? ? ? ? 237 TRP H CA 1 -ATOM 2108 C C . TRP B 2 249 ? 27.170 6.860 23.653 1.00 26.78 ? ? ? ? ? ? 237 TRP H C 1 -ATOM 2109 O O . TRP B 2 249 ? 27.843 7.154 22.643 1.00 27.80 ? ? ? ? ? ? 237 TRP H O 1 -ATOM 2110 C CB . TRP B 2 249 ? 27.685 4.720 24.902 1.00 25.21 ? ? ? ? ? ? 237 TRP H CB 1 -ATOM 2111 C CG . TRP B 2 249 ? 28.157 4.119 23.614 1.00 25.89 ? ? ? ? ? ? 237 TRP H CG 1 -ATOM 2112 C CD1 . TRP B 2 249 ? 29.444 4.098 23.141 1.00 23.70 ? ? ? ? ? ? 237 TRP H CD1 1 -ATOM 2113 C CD2 . TRP B 2 249 ? 27.341 3.601 22.545 1.00 25.64 ? ? ? ? ? ? 237 TRP H CD2 1 -ATOM 2114 N NE1 . TRP B 2 249 ? 29.505 3.527 21.904 1.00 25.80 ? ? ? ? ? ? 237 TRP H NE1 1 -ATOM 2115 C CE2 . TRP B 2 249 ? 28.230 3.228 21.499 1.00 24.71 ? ? ? ? ? ? 237 TRP H CE2 1 -ATOM 2116 C CE3 . TRP B 2 249 ? 25.958 3.475 22.390 1.00 23.90 ? ? ? ? ? ? 237 TRP H CE3 1 -ATOM 2117 C CZ2 . TRP B 2 249 ? 27.810 2.721 20.276 1.00 23.56 ? ? ? ? ? ? 237 TRP H CZ2 1 -ATOM 2118 C CZ3 . TRP B 2 249 ? 25.546 2.987 21.163 1.00 21.47 ? ? ? ? ? ? 237 TRP H CZ3 1 -ATOM 2119 C CH2 . TRP B 2 249 ? 26.424 2.600 20.159 1.00 23.81 ? ? ? ? ? ? 237 TRP H CH2 1 -ATOM 2120 N N . ILE B 2 250 ? 25.843 6.904 23.678 1.00 27.04 ? ? ? ? ? ? 238 ILE H N 1 -ATOM 2121 C CA . ILE B 2 250 ? 25.022 7.476 22.575 1.00 27.13 ? ? ? ? ? ? 238 ILE H CA 1 -ATOM 2122 C C . ILE B 2 250 ? 25.518 8.870 22.196 1.00 27.57 ? ? ? ? ? ? 238 ILE H C 1 -ATOM 2123 O O . ILE B 2 250 ? 25.970 9.191 21.090 1.00 27.64 ? ? ? ? ? ? 238 ILE H O 1 -ATOM 2124 C CB . ILE B 2 250 ? 23.513 7.487 23.012 1.00 23.82 ? ? ? ? ? ? 238 ILE H CB 1 -ATOM 2125 C CG1 . ILE B 2 250 ? 22.933 6.052 22.959 1.00 23.24 ? ? ? ? ? ? 238 ILE H CG1 1 -ATOM 2126 C CG2 . ILE B 2 250 ? 22.678 8.459 22.104 1.00 26.70 ? ? ? ? ? ? 238 ILE H CG2 1 -ATOM 2127 C CD1 . ILE B 2 250 ? 21.632 5.969 23.762 1.00 24.69 ? ? ? ? ? ? 238 ILE H CD1 1 -ATOM 2128 N N . GLN B 2 251 ? 25.455 9.759 23.165 1.00 30.12 ? ? ? ? ? ? 239 GLN H N 1 -ATOM 2129 C CA . GLN B 2 251 ? 25.921 11.150 23.065 1.00 31.99 ? ? ? ? ? ? 239 GLN H CA 1 -ATOM 2130 C C . GLN B 2 251 ? 27.296 11.275 22.450 1.00 32.31 ? ? ? ? ? ? 239 GLN H C 1 -ATOM 2131 O O . GLN B 2 251 ? 27.544 12.030 21.522 1.00 32.04 ? ? ? ? ? ? 239 GLN H O 1 -ATOM 2132 C CB . GLN B 2 251 ? 26.025 11.806 24.444 1.00 35.28 ? ? ? ? ? ? 239 GLN H CB 1 -ATOM 2133 C CG . GLN B 2 251 ? 24.770 12.622 24.647 1.00 42.04 ? ? ? ? ? ? 239 GLN H CG 1 -ATOM 2134 C CD . GLN B 2 251 ? 24.490 12.986 26.084 1.00 46.44 ? ? ? ? ? ? 239 GLN H CD 1 -ATOM 2135 O OE1 . GLN B 2 251 ? 23.428 13.584 26.295 1.00 48.42 ? ? ? ? ? ? 239 GLN H OE1 1 -ATOM 2136 N NE2 . GLN B 2 251 ? 25.367 12.702 27.063 1.00 48.82 ? ? ? ? ? ? 239 GLN H NE2 1 -ATOM 2137 N N . LYS B 2 252 ? 28.191 10.559 23.100 1.00 33.25 ? ? ? ? ? ? 240 LYS H N 1 -ATOM 2138 C CA . LYS B 2 252 ? 29.596 10.420 22.676 1.00 33.60 ? ? ? ? ? ? 240 LYS H CA 1 -ATOM 2139 C C . LYS B 2 252 ? 29.731 10.112 21.195 1.00 34.00 ? ? ? ? ? ? 240 LYS H C 1 -ATOM 2140 O O . LYS B 2 252 ? 30.583 10.732 20.513 1.00 34.53 ? ? ? ? ? ? 240 LYS H O 1 -ATOM 2141 C CB . LYS B 2 252 ? 30.217 9.269 23.476 1.00 34.31 ? ? ? ? ? ? 240 LYS H CB 1 -ATOM 2142 C CG . LYS B 2 252 ? 31.742 9.249 23.508 1.00 37.90 ? ? ? ? ? ? 240 LYS H CG 1 -ATOM 2143 N N . VAL B 2 253 ? 28.926 9.153 20.709 1.00 33.64 ? ? ? ? ? ? 241 VAL H N 1 -ATOM 2144 C CA . VAL B 2 253 ? 28.999 8.741 19.324 1.00 33.05 ? ? ? ? ? ? 241 VAL H CA 1 -ATOM 2145 C C . VAL B 2 253 ? 28.359 9.804 18.418 1.00 33.53 ? ? ? ? ? ? 241 VAL H C 1 -ATOM 2146 O O . VAL B 2 253 ? 28.896 10.054 17.322 1.00 33.11 ? ? ? ? ? ? 241 VAL H O 1 -ATOM 2147 C CB . VAL B 2 253 ? 28.648 7.315 18.956 1.00 33.29 ? ? ? ? ? ? 241 VAL H CB 1 -ATOM 2148 C CG1 . VAL B 2 253 ? 28.289 6.268 19.969 1.00 33.67 ? ? ? ? ? ? 241 VAL H CG1 1 -ATOM 2149 C CG2 . VAL B 2 253 ? 27.639 7.334 17.799 1.00 34.60 ? ? ? ? ? ? 241 VAL H CG2 1 -ATOM 2150 N N . ILE B 2 254 ? 27.310 10.456 18.818 1.00 35.14 ? ? ? ? ? ? 242 ILE H N 1 -ATOM 2151 C CA . ILE B 2 254 ? 26.679 11.539 18.001 1.00 37.27 ? ? ? ? ? ? 242 ILE H CA 1 -ATOM 2152 C C . ILE B 2 254 ? 27.553 12.797 18.055 1.00 39.35 ? ? ? ? ? ? 242 ILE H C 1 -ATOM 2153 O O . ILE B 2 254 ? 27.797 13.445 17.005 1.00 40.00 ? ? ? ? ? ? 242 ILE H O 1 -ATOM 2154 C CB . ILE B 2 254 ? 25.194 11.697 18.447 1.00 34.52 ? ? ? ? ? ? 242 ILE H CB 1 -ATOM 2155 C CG1 . ILE B 2 254 ? 24.400 10.420 18.058 1.00 33.64 ? ? ? ? ? ? 242 ILE H CG1 1 -ATOM 2156 C CG2 . ILE B 2 254 ? 24.484 12.977 17.951 1.00 32.97 ? ? ? ? ? ? 242 ILE H CG2 1 -ATOM 2157 C CD1 . ILE B 2 254 ? 23.062 10.262 18.853 1.00 32.31 ? ? ? ? ? ? 242 ILE H CD1 1 -ATOM 2158 N N . ASP B 2 255 ? 28.138 13.146 19.196 1.00 41.05 ? ? ? ? ? ? 243 ASP H N 1 -ATOM 2159 C CA . ASP B 2 255 ? 29.080 14.267 19.258 1.00 43.27 ? ? ? ? ? ? 243 ASP H CA 1 -ATOM 2160 C C . ASP B 2 255 ? 30.286 13.950 18.365 1.00 44.57 ? ? ? ? ? ? 243 ASP H C 1 -ATOM 2161 O O . ASP B 2 255 ? 30.659 14.831 17.559 1.00 45.86 ? ? ? ? ? ? 243 ASP H O 1 -ATOM 2162 C CB . ASP B 2 255 ? 29.624 14.621 20.630 1.00 47.72 ? ? ? ? ? ? 243 ASP H CB 1 -ATOM 2163 C CG . ASP B 2 255 ? 28.530 15.146 21.552 1.00 50.00 ? ? ? ? ? ? 243 ASP H CG 1 -ATOM 2164 O OD1 . ASP B 2 255 ? 27.399 15.313 21.003 1.00 50.00 ? ? ? ? ? ? 243 ASP H OD1 1 -ATOM 2165 O OD2 . ASP B 2 255 ? 28.795 15.258 22.776 1.00 50.00 ? ? ? ? ? ? 243 ASP H OD2 1 -ATOM 2166 N N . GLN B 2 256 ? 30.861 12.781 18.536 1.00 44.73 ? ? ? ? ? ? 244 GLN H N 1 -ATOM 2167 C CA . GLN B 2 256 ? 32.085 12.372 17.843 1.00 45.43 ? ? ? ? ? ? 244 GLN H CA 1 -ATOM 2168 C C . GLN B 2 256 ? 31.893 11.457 16.657 1.00 46.22 ? ? ? ? ? ? 244 GLN H C 1 -ATOM 2169 O O . GLN B 2 256 ? 31.622 11.923 15.525 1.00 46.88 ? ? ? ? ? ? 244 GLN H O 1 -ATOM 2170 N N . ASP C 3 3 ? 5.927 -12.350 2.503 1.00 43.25 ? ? ? ? ? ? 355 ASP I N 1 -ATOM 2171 C CA . ASP C 3 3 ? 5.591 -11.903 1.133 1.00 41.60 ? ? ? ? ? ? 355 ASP I CA 1 -ATOM 2172 C C . ASP C 3 3 ? 5.597 -10.379 1.037 1.00 40.34 ? ? ? ? ? ? 355 ASP I C 1 -ATOM 2173 O O . ASP C 3 3 ? 4.603 -9.664 0.921 1.00 40.14 ? ? ? ? ? ? 355 ASP I O 1 -ATOM 2174 N N . PHE C 3 4 ? 6.791 -9.868 0.966 1.00 39.71 ? ? ? ? ? ? 356 PHE I N 1 -ATOM 2175 C CA . PHE C 3 4 ? 7.082 -8.454 0.828 1.00 39.82 ? ? ? ? ? ? 356 PHE I CA 1 -ATOM 2176 C C . PHE C 3 4 ? 6.772 -7.973 -0.592 1.00 40.48 ? ? ? ? ? ? 356 PHE I C 1 -ATOM 2177 O O . PHE C 3 4 ? 7.266 -8.489 -1.617 1.00 40.62 ? ? ? ? ? ? 356 PHE I O 1 -ATOM 2178 C CB . PHE C 3 4 ? 8.537 -8.206 1.283 1.00 39.04 ? ? ? ? ? ? 356 PHE I CB 1 -ATOM 2179 C CG . PHE C 3 4 ? 8.581 -8.166 2.793 1.00 39.60 ? ? ? ? ? ? 356 PHE I CG 1 -ATOM 2180 C CD1 . PHE C 3 4 ? 8.716 -9.333 3.523 1.00 39.08 ? ? ? ? ? ? 356 PHE I CD1 1 -ATOM 2181 C CD2 . PHE C 3 4 ? 8.334 -6.961 3.468 1.00 39.51 ? ? ? ? ? ? 356 PHE I CD2 1 -ATOM 2182 C CE1 . PHE C 3 4 ? 8.626 -9.361 4.910 1.00 38.55 ? ? ? ? ? ? 356 PHE I CE1 1 -ATOM 2183 C CE2 . PHE C 3 4 ? 8.281 -6.966 4.870 1.00 40.91 ? ? ? ? ? ? 356 PHE I CE2 1 -ATOM 2184 C CZ . PHE C 3 4 ? 8.395 -8.175 5.594 1.00 36.84 ? ? ? ? ? ? 356 PHE I CZ 1 -ATOM 2185 N N . GLU C 3 5 ? 6.086 -6.846 -0.632 1.00 40.43 ? ? ? ? ? ? 357 GLU I N 1 -ATOM 2186 C CA . GLU C 3 5 ? 5.814 -6.112 -1.877 1.00 41.12 ? ? ? ? ? ? 357 GLU I CA 1 -ATOM 2187 C C . GLU C 3 5 ? 7.139 -5.467 -2.281 1.00 41.45 ? ? ? ? ? ? 357 GLU I C 1 -ATOM 2188 O O . GLU C 3 5 ? 7.971 -5.002 -1.496 1.00 41.97 ? ? ? ? ? ? 357 GLU I O 1 -ATOM 2189 C CB . GLU C 3 5 ? 4.752 -5.053 -1.745 1.00 42.96 ? ? ? ? ? ? 357 GLU I CB 1 -ATOM 2190 C CG . GLU C 3 5 ? 3.774 -4.690 -2.826 1.00 44.81 ? ? ? ? ? ? 357 GLU I CG 1 -ATOM 2191 C CD . GLU C 3 5 ? 3.513 -3.238 -3.102 1.00 46.56 ? ? ? ? ? ? 357 GLU I CD 1 -ATOM 2192 O OE1 . GLU C 3 5 ? 3.364 -2.632 -2.025 1.00 45.88 ? ? ? ? ? ? 357 GLU I OE1 1 -ATOM 2193 O OE2 . GLU C 3 5 ? 3.416 -2.667 -4.193 1.00 47.58 ? ? ? ? ? ? 357 GLU I OE2 1 -ATOM 2194 N N . GLU C 3 6 ? 7.434 -5.615 -3.547 1.00 41.89 ? ? ? ? ? ? 358 GLU I N 1 -ATOM 2195 C CA . GLU C 3 6 ? 8.623 -5.111 -4.219 1.00 42.70 ? ? ? ? ? ? 358 GLU I CA 1 -ATOM 2196 C C . GLU C 3 6 ? 8.738 -3.592 -3.978 1.00 42.96 ? ? ? ? ? ? 358 GLU I C 1 -ATOM 2197 O O . GLU C 3 6 ? 7.803 -2.806 -4.186 1.00 42.67 ? ? ? ? ? ? 358 GLU I O 1 -ATOM 2198 N N . ILE C 3 7 ? 9.977 -3.259 -3.615 1.00 43.18 ? ? ? ? ? ? 359 ILE I N 1 -ATOM 2199 C CA . ILE C 3 7 ? 10.346 -1.867 -3.363 1.00 43.32 ? ? ? ? ? ? 359 ILE I CA 1 -ATOM 2200 C C . ILE C 3 7 ? 11.064 -1.324 -4.580 1.00 44.14 ? ? ? ? ? ? 359 ILE I C 1 -ATOM 2201 O O . ILE C 3 7 ? 11.676 -2.092 -5.332 1.00 44.53 ? ? ? ? ? ? 359 ILE I O 1 -ATOM 2202 C CB . ILE C 3 7 ? 11.067 -1.723 -1.986 1.00 41.92 ? ? ? ? ? ? 359 ILE I CB 1 -ATOM 2203 C CG1 . ILE C 3 7 ? 12.497 -2.300 -1.998 1.00 41.57 ? ? ? ? ? ? 359 ILE I CG1 1 -ATOM 2204 C CG2 . ILE C 3 7 ? 10.222 -2.298 -0.823 1.00 42.21 ? ? ? ? ? ? 359 ILE I CG2 1 -ATOM 2205 C CD1 . ILE C 3 7 ? 13.559 -1.163 -2.131 1.00 43.09 ? ? ? ? ? ? 359 ILE I CD1 1 -ATOM 2206 N N . PRO C 3 8 ? 10.985 -0.014 -4.775 1.00 45.10 ? ? ? ? ? ? 360 PRO I N 1 -ATOM 2207 C CA . PRO C 3 8 ? 11.658 0.659 -5.880 1.00 44.86 ? ? ? ? ? ? 360 PRO I CA 1 -ATOM 2208 C C . PRO C 3 8 ? 13.165 0.420 -5.931 1.00 45.08 ? ? ? ? ? ? 360 PRO I C 1 -ATOM 2209 O O . PRO C 3 8 ? 13.998 0.516 -5.005 1.00 44.61 ? ? ? ? ? ? 360 PRO I O 1 -ATOM 2210 C CB . PRO C 3 8 ? 11.274 2.123 -5.755 1.00 45.05 ? ? ? ? ? ? 360 PRO I CB 1 -ATOM 2211 C CG . PRO C 3 8 ? 10.338 2.256 -4.597 1.00 45.46 ? ? ? ? ? ? 360 PRO I CG 1 -ATOM 2212 C CD . PRO C 3 8 ? 10.204 0.915 -3.936 1.00 44.98 ? ? ? ? ? ? 360 PRO I CD 1 -ATOM 2213 N N . GLU C 3 9 ? 13.537 0.175 -7.196 1.00 44.77 ? ? ? ? ? ? 361 GLU I N 1 -ATOM 2214 C CA . GLU C 3 9 ? 14.921 -0.125 -7.592 1.00 44.32 ? ? ? ? ? ? 361 GLU I CA 1 -ATOM 2215 C C . GLU C 3 9 ? 15.814 1.037 -7.161 1.00 43.90 ? ? ? ? ? ? 361 GLU I C 1 -ATOM 2216 O O . GLU C 3 9 ? 16.963 0.824 -6.758 1.00 43.26 ? ? ? ? ? ? 361 GLU I O 1 -ATOM 2217 C CB . GLU C 3 9 ? 14.914 -0.432 -9.091 1.00 45.26 ? ? ? ? ? ? 361 GLU I CB 1 -ATOM 2218 N N . GLU C 3 10 ? 15.227 2.220 -7.265 1.00 43.67 ? ? ? ? ? ? 362 GLU I N 1 -ATOM 2219 C CA . GLU C 3 10 ? 15.848 3.489 -6.866 1.00 44.27 ? ? ? ? ? ? 362 GLU I CA 1 -ATOM 2220 C C . GLU C 3 10 ? 16.526 3.246 -5.518 1.00 45.26 ? ? ? ? ? ? 362 GLU I C 1 -ATOM 2221 O O . GLU C 3 10 ? 17.547 3.893 -5.212 1.00 46.91 ? ? ? ? ? ? 362 GLU I O 1 -ATOM 2222 C CB . GLU C 3 10 ? 14.847 4.613 -6.620 1.00 42.51 ? ? ? ? ? ? 362 GLU I CB 1 -ATOM 2223 N N . TYS C 3 11 ? 15.901 2.361 -4.748 1.00 44.75 ? ? ? ? ? ? 363 TYS I N 1 -ATOM 2224 C CA . TYS C 3 11 ? 16.482 2.005 -3.448 1.00 44.52 ? ? ? ? ? ? 363 TYS I CA 1 -ATOM 2225 C CB . TYS C 3 11 ? 15.434 1.805 -2.340 1.00 42.26 ? ? ? ? ? ? 363 TYS I CB 1 -ATOM 2226 C CG . TYS C 3 11 ? 14.580 3.049 -2.234 1.00 39.78 ? ? ? ? ? ? 363 TYS I CG 1 -ATOM 2227 C CD1 . TYS C 3 11 ? 15.156 4.304 -2.015 1.00 37.81 ? ? ? ? ? ? 363 TYS I CD1 1 -ATOM 2228 C CD2 . TYS C 3 11 ? 13.219 2.924 -2.545 1.00 40.71 ? ? ? ? ? ? 363 TYS I CD2 1 -ATOM 2229 C CE1 . TYS C 3 11 ? 14.343 5.432 -2.005 1.00 38.74 ? ? ? ? ? ? 363 TYS I CE1 1 -ATOM 2230 C CE2 . TYS C 3 11 ? 12.411 4.063 -2.563 1.00 40.45 ? ? ? ? ? ? 363 TYS I CE2 1 -ATOM 2231 C CZ . TYS C 3 11 ? 12.986 5.299 -2.287 1.00 39.69 ? ? ? ? ? ? 363 TYS I CZ 1 -ATOM 2232 O OH . TYS C 3 11 ? 12.107 6.361 -2.265 1.00 42.68 ? ? ? ? ? ? 363 TYS I OH 1 -ATOM 2233 S S . TYS C 3 11 ? 11.153 6.571 -0.919 1.00 44.01 ? ? ? ? ? ? 363 TYS I S 1 -ATOM 2234 O O1 . TYS C 3 11 ? 10.528 5.299 -0.666 1.00 41.40 ? ? ? ? ? ? 363 TYS I O1 1 -ATOM 2235 O O2 . TYS C 3 11 ? 12.111 7.170 -0.043 1.00 42.83 ? ? ? ? ? ? 363 TYS I O2 1 -ATOM 2236 O O3 . TYS C 3 11 ? 10.170 7.609 -1.318 1.00 44.90 ? ? ? ? ? ? 363 TYS I O3 1 -ATOM 2237 C C . TYS C 3 11 ? 17.330 0.734 -3.630 1.00 44.39 ? ? ? ? ? ? 363 TYS I C 1 -ATOM 2238 O O . TYS C 3 11 ? 18.126 0.587 -2.682 1.00 44.82 ? ? ? ? ? ? 363 TYS I O 1 -HETATM 2239 NA NA . NA D 4 . ? 5.845 -14.122 30.560 0.88 23.48 ? ? ? ? ? ? 541 NA H NA 1 -HETATM 2240 NA NA . NA E 4 . ? 18.411 -16.475 38.464 0.88 24.77 ? ? ? ? ? ? 542 NA H NA 1 -HETATM 2241 C C1 . ANS F 5 . ? 17.735 -17.178 22.612 1.00 26.29 ? ? ? ? ? ? 373 ANS H C1 1 -HETATM 2242 C C2 . ANS F 5 . ? 18.543 -17.350 21.462 1.00 26.22 ? ? ? ? ? ? 373 ANS H C2 1 -HETATM 2243 C C3 . ANS F 5 . ? 19.877 -17.046 21.558 1.00 26.06 ? ? ? ? ? ? 373 ANS H C3 1 -HETATM 2244 C C4 . ANS F 5 . ? 20.401 -16.566 22.766 1.00 26.60 ? ? ? ? ? ? 373 ANS H C4 1 -HETATM 2245 C C4A . ANS F 5 . ? 19.613 -16.358 23.893 1.00 27.46 ? ? ? ? ? ? 373 ANS H C4A 1 -HETATM 2246 C C5 . ANS F 5 . ? 20.084 -15.791 25.046 1.00 28.32 ? ? ? ? ? ? 373 ANS H C5 1 -HETATM 2247 C C6 . ANS F 5 . ? 19.241 -15.568 26.114 1.00 27.47 ? ? ? ? ? ? 373 ANS H C6 1 -HETATM 2248 C C7 . ANS F 5 . ? 17.893 -15.971 26.028 1.00 27.79 ? ? ? ? ? ? 373 ANS H C7 1 -HETATM 2249 C C8 . ANS F 5 . ? 17.370 -16.510 24.879 1.00 26.51 ? ? ? ? ? ? 373 ANS H C8 1 -HETATM 2250 C C8A . ANS F 5 . ? 18.205 -16.689 23.809 1.00 26.70 ? ? ? ? ? ? 373 ANS H C8A 1 -HETATM 2251 N N . ANS F 5 . ? 21.383 -15.285 25.104 1.00 29.72 ? ? ? ? ? ? 373 ANS H N 1 -HETATM 2252 C CM1 . ANS F 5 . ? 21.898 -14.217 24.214 1.00 30.75 ? ? ? ? ? ? 373 ANS H CM1 1 -HETATM 2253 C CM2 . ANS F 5 . ? 22.635 -16.213 25.496 1.00 31.28 ? ? ? ? ? ? 373 ANS H CM2 1 -HETATM 2254 S S . ANS F 5 . ? 15.909 -17.581 22.417 1.00 26.82 ? ? ? ? ? ? 373 ANS H S 1 -HETATM 2255 O O1S . ANS F 5 . ? 15.988 -18.013 21.010 1.00 27.08 ? ? ? ? ? ? 373 ANS H O1S 1 -HETATM 2256 O O2S . ANS F 5 . ? 14.998 -18.191 23.402 1.00 25.52 ? ? ? ? ? ? 373 ANS H O2S 1 -HETATM 2257 N N . DAR F 5 . ? 14.893 -15.970 22.485 1.00 26.45 ? ? ? ? ? ? 350 DAR H N 1 -HETATM 2258 C CA . DAR F 5 . ? 15.193 -15.114 21.296 1.00 26.19 ? ? ? ? ? ? 350 DAR H CA 1 -HETATM 2259 C CB . DAR F 5 . ? 13.942 -14.354 20.879 1.00 23.76 ? ? ? ? ? ? 350 DAR H CB 1 -HETATM 2260 C CG . DAR F 5 . ? 13.232 -13.686 22.058 1.00 25.01 ? ? ? ? ? ? 350 DAR H CG 1 -HETATM 2261 C CD . DAR F 5 . ? 11.892 -13.133 21.595 1.00 23.01 ? ? ? ? ? ? 350 DAR H CD 1 -HETATM 2262 N NE . DAR F 5 . ? 11.218 -12.647 22.780 1.00 21.45 ? ? ? ? ? ? 350 DAR H NE 1 -HETATM 2263 C CZ . DAR F 5 . ? 11.457 -11.554 23.483 1.00 20.16 ? ? ? ? ? ? 350 DAR H CZ 1 -HETATM 2264 N NH1 . DAR F 5 . ? 12.359 -10.674 23.045 1.00 20.04 ? ? ? ? ? ? 350 DAR H NH1 1 -HETATM 2265 N NH2 . DAR F 5 . ? 10.723 -11.336 24.566 1.00 20.85 ? ? ? ? ? ? 350 DAR H NH2 1 -HETATM 2266 C C . DAR F 5 . ? 16.307 -14.167 21.752 1.00 26.27 ? ? ? ? ? ? 350 DAR H C 1 -HETATM 2267 O O . DAR F 5 . ? 16.212 -13.781 22.914 1.00 24.70 ? ? ? ? ? ? 350 DAR H O 1 -HETATM 2268 N N1 . 2EP F 5 . ? 17.280 -13.692 20.830 1.00 27.91 ? ? ? ? ? ? 375 2EP H N1 1 -HETATM 2269 C C2 . 2EP F 5 . ? 17.043 -14.033 19.327 1.00 30.31 ? ? ? ? ? ? 375 2EP H C2 1 -HETATM 2270 C C3 . 2EP F 5 . ? 18.421 -14.472 18.809 1.00 29.73 ? ? ? ? ? ? 375 2EP H C3 1 -HETATM 2271 C C4 . 2EP F 5 . ? 19.610 -13.417 19.194 1.00 29.33 ? ? ? ? ? ? 375 2EP H C4 1 -HETATM 2272 C C5 . 2EP F 5 . ? 19.696 -13.083 20.765 1.00 28.57 ? ? ? ? ? ? 375 2EP H C5 1 -HETATM 2273 C C6 . 2EP F 5 . ? 18.351 -12.680 21.310 1.00 28.50 ? ? ? ? ? ? 375 2EP H C6 1 -HETATM 2274 C "C1'" . 2EP F 5 . ? 16.593 -13.014 18.550 1.00 33.08 ? ? ? ? ? ? 375 2EP H "C1'" 1 -HETATM 2275 C "C2'" . 2EP F 5 . ? 15.941 -13.425 17.179 1.00 37.01 ? ? ? ? ? ? 375 2EP H "C2'" 1 -HETATM 2276 S S1 . KTH G 6 . ? 15.783 -14.904 14.458 1.00 43.62 ? ? ? ? ? ? 377 KTH H S1 1 -HETATM 2277 O O2 . KTH G 6 . ? 17.488 -11.922 16.287 1.00 41.38 ? ? ? ? ? ? 377 KTH H O2 1 -HETATM 2278 C C5 . KTH G 6 . ? 17.059 -15.583 13.508 1.00 43.74 ? ? ? ? ? ? 377 KTH H C5 1 -HETATM 2279 C C2 . KTH G 6 . ? 16.864 -13.556 14.739 1.00 42.63 ? ? ? ? ? ? 377 KTH H C2 1 -HETATM 2280 C "C2'" . KTH G 6 . ? 16.825 -12.903 16.107 1.00 40.59 ? ? ? ? ? ? 377 KTH H "C2'" 1 -HETATM 2281 C C4 . KTH G 6 . ? 18.146 -14.734 13.451 1.00 43.96 ? ? ? ? ? ? 377 KTH H C4 1 -HETATM 2282 N N3 . KTH G 6 . ? 18.049 -13.554 14.106 1.00 43.46 ? ? ? ? ? ? 377 KTH H N3 1 -HETATM 2283 O O . HOH H 7 . ? 1.813 10.969 14.408 0.94 20.02 ? ? ? ? ? ? 380 HOH H O 1 -HETATM 2284 O O . HOH H 7 . ? 16.385 3.824 30.360 0.95 13.91 ? ? ? ? ? ? 381 HOH H O 1 -HETATM 2285 O O . HOH H 7 . ? 3.814 -7.977 16.028 0.86 18.54 ? ? ? ? ? ? 383 HOH H O 1 -HETATM 2286 O O . HOH H 7 . ? 1.093 2.746 12.499 0.87 25.44 ? ? ? ? ? ? 384 HOH H O 1 -HETATM 2287 O O . HOH H 7 . ? 14.939 1.085 19.284 0.93 13.44 ? ? ? ? ? ? 385 HOH H O 1 -HETATM 2288 O O . HOH H 7 . ? 8.362 -8.386 27.504 0.96 14.38 ? ? ? ? ? ? 386 HOH H O 1 -HETATM 2289 O O . HOH H 7 . ? 8.401 2.254 9.841 0.92 16.62 ? ? ? ? ? ? 387 HOH H O 1 -HETATM 2290 O O . HOH H 7 . ? 10.023 -3.869 16.939 0.92 13.76 ? ? ? ? ? ? 389 HOH H O 1 -HETATM 2291 O O . HOH H 7 . ? 9.616 -5.258 14.317 0.88 13.63 ? ? ? ? ? ? 390 HOH H O 1 -HETATM 2292 O O . HOH H 7 . ? 20.594 -6.523 27.140 0.88 21.14 ? ? ? ? ? ? 392 HOH H O 1 -HETATM 2293 O O . HOH H 7 . ? 7.650 -4.255 0.933 0.93 21.25 ? ? ? ? ? ? 393 HOH H O 1 -HETATM 2294 O O . HOH H 7 . ? 21.881 -4.320 27.824 0.90 21.37 ? ? ? ? ? ? 394 HOH H O 1 -HETATM 2295 O O . HOH H 7 . ? 12.132 -8.387 25.245 0.98 17.25 ? ? ? ? ? ? 395 HOH H O 1 -HETATM 2296 O O . HOH H 7 . ? 3.090 4.988 21.070 0.98 20.42 ? ? ? ? ? ? 396 HOH H O 1 -HETATM 2297 O O . HOH H 7 . ? 5.777 10.505 5.262 0.93 20.70 ? ? ? ? ? ? 397 HOH H O 1 -HETATM 2298 O O . HOH H 7 . ? 16.303 16.088 14.395 0.79 28.25 ? ? ? ? ? ? 398 HOH H O 1 -HETATM 2299 O O . HOH H 7 . ? -2.351 -7.412 11.758 0.84 29.96 ? ? ? ? ? ? 399 HOH H O 1 -HETATM 2300 O O . HOH H 7 . ? 12.925 -14.576 32.221 0.93 19.89 ? ? ? ? ? ? 400 HOH H O 1 -HETATM 2301 O O . HOH H 7 . ? 15.812 -6.714 35.759 0.84 32.50 ? ? ? ? ? ? 401 HOH H O 1 -HETATM 2302 O O . HOH H 7 . ? 15.205 12.447 20.261 0.90 25.06 ? ? ? ? ? ? 402 HOH H O 1 -HETATM 2303 O O . HOH H 7 . ? 4.529 -14.608 33.114 0.97 20.98 ? ? ? ? ? ? 403 HOH H O 1 -HETATM 2304 O O . HOH H 7 . ? 25.181 -15.834 23.184 0.92 26.81 ? ? ? ? ? ? 404 HOH H O 1 -HETATM 2305 O O . HOH H 7 . ? 0.074 -13.559 33.119 0.90 27.79 ? ? ? ? ? ? 405 HOH H O 1 -HETATM 2306 O O . HOH H 7 . ? 4.211 -7.518 36.488 0.87 23.37 ? ? ? ? ? ? 406 HOH H O 1 -HETATM 2307 O O . HOH H 7 . ? 3.187 7.670 -6.324 0.80 23.95 ? ? ? ? ? ? 407 HOH H O 1 -HETATM 2308 O O . HOH H 7 . ? 14.544 -10.660 20.770 0.91 22.30 ? ? ? ? ? ? 409 HOH H O 1 -HETATM 2309 O O . HOH H 7 . ? 8.914 -15.553 27.347 0.94 23.52 ? ? ? ? ? ? 410 HOH H O 1 -HETATM 2310 O O . HOH H 7 . ? 0.689 -10.424 6.785 0.68 36.20 ? ? ? ? ? ? 411 HOH H O 1 -HETATM 2311 O O . HOH H 7 . ? 21.620 -12.234 37.726 0.85 25.31 ? ? ? ? ? ? 412 HOH H O 1 -HETATM 2312 O O . HOH H 7 . ? 15.367 -10.611 14.133 0.90 26.14 ? ? ? ? ? ? 413 HOH H O 1 -HETATM 2313 O O . HOH H 7 . ? 7.623 5.524 11.550 0.88 20.63 ? ? ? ? ? ? 414 HOH H O 1 -HETATM 2314 O O . HOH H 7 . ? -1.607 -4.544 29.147 0.75 32.72 ? ? ? ? ? ? 416 HOH H O 1 -HETATM 2315 O O . HOH H 7 . ? 24.945 -15.533 32.068 0.82 27.47 ? ? ? ? ? ? 417 HOH H O 1 -HETATM 2316 O O . HOH H 7 . ? 14.160 -10.783 16.489 0.82 30.17 ? ? ? ? ? ? 418 HOH H O 1 -HETATM 2317 O O . HOH H 7 . ? -4.575 8.264 13.761 0.85 25.62 ? ? ? ? ? ? 420 HOH H O 1 -HETATM 2318 O O . HOH H 7 . ? -6.064 4.365 12.894 0.74 27.63 ? ? ? ? ? ? 421 HOH H O 1 -HETATM 2319 O O . HOH H 7 . ? 19.857 0.208 36.472 0.70 34.94 ? ? ? ? ? ? 422 HOH H O 1 -HETATM 2320 O O . HOH H 7 . ? 3.131 16.501 10.377 0.66 33.10 ? ? ? ? ? ? 423 HOH H O 1 -HETATM 2321 O O . HOH H 7 . ? 32.607 -7.961 10.226 0.78 32.76 ? ? ? ? ? ? 424 HOH H O 1 -HETATM 2322 O O . HOH H 7 . ? 26.817 5.390 28.841 0.74 31.70 ? ? ? ? ? ? 425 HOH H O 1 -HETATM 2323 O O . HOH H 7 . ? 6.669 1.429 21.293 0.95 18.31 ? ? ? ? ? ? 426 HOH H O 1 -HETATM 2324 O O . HOH H 7 . ? 1.063 -7.061 5.588 0.72 34.75 ? ? ? ? ? ? 427 HOH H O 1 -HETATM 2325 O O . HOH H 7 . ? -0.949 -18.241 33.801 0.64 36.40 ? ? ? ? ? ? 428 HOH H O 1 -HETATM 2326 O O . HOH H 7 . ? 2.796 4.090 13.967 0.93 20.86 ? ? ? ? ? ? 429 HOH H O 1 -HETATM 2327 O O . HOH H 7 . ? 29.999 -16.412 13.515 0.68 33.87 ? ? ? ? ? ? 430 HOH H O 1 -HETATM 2328 O O . HOH H 7 . ? 5.409 3.833 11.980 0.85 18.73 ? ? ? ? ? ? 431 HOH H O 1 -HETATM 2329 O O . HOH H 7 . ? 7.370 7.389 -0.375 0.82 27.42 ? ? ? ? ? ? 432 HOH H O 1 -HETATM 2330 O O . HOH H 7 . ? 27.903 -6.211 12.365 0.84 31.83 ? ? ? ? ? ? 434 HOH H O 1 -HETATM 2331 O O . HOH H 7 . ? 1.996 -15.245 32.139 0.93 27.12 ? ? ? ? ? ? 436 HOH H O 1 -HETATM 2332 O O . HOH H 7 . ? 6.265 -10.722 28.912 0.94 20.72 ? ? ? ? ? ? 438 HOH H O 1 -HETATM 2333 O O . HOH H 7 . ? 16.113 13.324 22.882 0.88 22.43 ? ? ? ? ? ? 439 HOH H O 1 -HETATM 2334 O O . HOH H 7 . ? 24.651 -17.148 29.004 0.64 39.96 ? ? ? ? ? ? 440 HOH H O 1 -HETATM 2335 O O . HOH H 7 . ? 28.911 12.251 13.580 0.87 32.05 ? ? ? ? ? ? 441 HOH H O 1 -HETATM 2336 O O . HOH H 7 . ? 5.559 3.579 20.467 0.90 22.54 ? ? ? ? ? ? 442 HOH H O 1 -HETATM 2337 O O . HOH H 7 . ? 1.815 5.253 8.116 0.87 20.87 ? ? ? ? ? ? 443 HOH H O 1 -HETATM 2338 O O . HOH H 7 . ? 21.422 -5.982 37.960 0.82 26.02 ? ? ? ? ? ? 444 HOH H O 1 -HETATM 2339 O O . HOH H 7 . ? 29.292 -7.973 30.599 0.81 29.45 ? ? ? ? ? ? 445 HOH H O 1 -HETATM 2340 O O . HOH H 7 . ? -7.715 7.082 19.406 0.82 27.11 ? ? ? ? ? ? 446 HOH H O 1 -HETATM 2341 O O . HOH H 7 . ? 14.062 -11.105 -1.969 0.67 34.94 ? ? ? ? ? ? 447 HOH H O 1 -HETATM 2342 O O . HOH H 7 . ? 15.277 -19.664 25.648 0.65 37.50 ? ? ? ? ? ? 448 HOH H O 1 -HETATM 2343 O O . HOH H 7 . ? -0.853 1.030 4.269 0.70 27.95 ? ? ? ? ? ? 449 HOH H O 1 -HETATM 2344 O O . HOH H 7 . ? 32.888 -10.346 14.131 0.82 35.98 ? ? ? ? ? ? 450 HOH H O 1 -HETATM 2345 O O . HOH H 7 . ? 0.950 10.152 1.699 0.73 37.79 ? ? ? ? ? ? 451 HOH H O 1 -HETATM 2346 O O . HOH H 7 . ? 19.166 7.145 1.282 0.62 30.72 ? ? ? ? ? ? 452 HOH H O 1 -HETATM 2347 O O . HOH H 7 . ? 17.180 9.503 4.255 0.66 31.93 ? ? ? ? ? ? 453 HOH H O 1 -HETATM 2348 O O . HOH H 7 . ? 3.642 6.483 11.661 0.92 19.48 ? ? ? ? ? ? 454 HOH H O 1 -HETATM 2349 O O . HOH H 7 . ? 24.301 1.596 2.325 0.70 35.33 ? ? ? ? ? ? 455 HOH H O 1 -HETATM 2350 O O . HOH H 7 . ? 7.596 -10.828 8.942 0.80 31.14 ? ? ? ? ? ? 457 HOH H O 1 -HETATM 2351 O O . HOH H 7 . ? 10.899 -14.831 39.191 0.83 23.63 ? ? ? ? ? ? 458 HOH H O 1 -HETATM 2352 O O . HOH H 7 . ? 22.571 -13.676 8.906 0.73 34.74 ? ? ? ? ? ? 459 HOH H O 1 -HETATM 2353 O O . HOH H 7 . ? 5.936 -11.920 31.531 0.88 20.50 ? ? ? ? ? ? 460 HOH H O 1 -HETATM 2354 O O . HOH H 7 . ? 5.340 -5.328 37.799 0.94 25.05 ? ? ? ? ? ? 461 HOH H O 1 -HETATM 2355 O O . HOH H 7 . ? -2.383 -10.736 18.729 0.80 28.69 ? ? ? ? ? ? 463 HOH H O 1 -HETATM 2356 O O . HOH H 7 . ? 3.664 -13.838 29.679 0.89 22.25 ? ? ? ? ? ? 464 HOH H O 1 -HETATM 2357 O O . HOH H 7 . ? 17.256 -19.618 32.257 0.80 24.79 ? ? ? ? ? ? 465 HOH H O 1 -HETATM 2358 O O . HOH H 7 . ? 6.501 15.500 12.333 0.86 21.77 ? ? ? ? ? ? 466 HOH H O 1 -HETATM 2359 O O . HOH H 7 . ? 20.123 -18.121 38.688 0.88 24.92 ? ? ? ? ? ? 467 HOH H O 1 -HETATM 2360 O O . HOH H 7 . ? 13.249 -4.700 35.811 0.85 26.09 ? ? ? ? ? ? 468 HOH H O 1 -HETATM 2361 O O . HOH H 7 . ? 6.391 19.482 26.474 0.78 27.79 ? ? ? ? ? ? 469 HOH H O 1 -HETATM 2362 O O . HOH H 7 . ? -3.777 -10.485 27.771 0.83 30.96 ? ? ? ? ? ? 470 HOH H O 1 -HETATM 2363 O O . HOH H 7 . ? 10.193 -13.387 26.529 0.85 26.96 ? ? ? ? ? ? 471 HOH H O 1 -HETATM 2364 O O . HOH H 7 . ? 4.857 20.515 24.462 0.63 35.16 ? ? ? ? ? ? 472 HOH H O 1 -HETATM 2365 O O . HOH H 7 . ? 31.836 9.263 14.470 0.74 36.70 ? ? ? ? ? ? 474 HOH H O 1 -HETATM 2366 O O . HOH H 7 . ? 5.370 -19.740 24.501 0.77 29.99 ? ? ? ? ? ? 475 HOH H O 1 -HETATM 2367 O O . HOH H 7 . ? 1.589 5.204 10.753 0.83 24.27 ? ? ? ? ? ? 478 HOH H O 1 -HETATM 2368 O O . HOH H 7 . ? -3.518 15.224 9.901 0.69 37.14 ? ? ? ? ? ? 479 HOH H O 1 -HETATM 2369 O O . HOH H 7 . ? 31.959 3.699 20.190 0.67 34.44 ? ? ? ? ? ? 480 HOH H O 1 -HETATM 2370 O O . HOH H 7 . ? 14.716 -2.310 36.800 0.73 30.39 ? ? ? ? ? ? 481 HOH H O 1 -HETATM 2371 O O . HOH H 7 . ? -2.907 -3.597 22.983 0.72 32.83 ? ? ? ? ? ? 482 HOH H O 1 -HETATM 2372 O O . HOH H 7 . ? 19.505 13.761 24.244 0.65 36.65 ? ? ? ? ? ? 484 HOH H O 1 -HETATM 2373 O O . HOH H 7 . ? 14.623 16.232 8.745 0.68 36.32 ? ? ? ? ? ? 485 HOH H O 1 -HETATM 2374 O O . HOH H 7 . ? 3.387 11.876 3.915 0.67 33.95 ? ? ? ? ? ? 486 HOH H O 1 -HETATM 2375 O O . HOH H 7 . ? 14.677 16.851 34.263 0.78 36.21 ? ? ? ? ? ? 487 HOH H O 1 -HETATM 2376 O O . HOH H 7 . ? -1.633 -4.110 25.675 0.76 28.36 ? ? ? ? ? ? 488 HOH H O 1 -HETATM 2377 O O . HOH H 7 . ? 22.492 -19.194 37.077 0.75 34.87 ? ? ? ? ? ? 489 HOH H O 1 -HETATM 2378 O O . HOH H 7 . ? 3.114 -10.859 29.999 0.85 20.94 ? ? ? ? ? ? 490 HOH H O 1 -HETATM 2379 O O . HOH H 7 . ? 30.955 -0.799 15.385 0.67 29.37 ? ? ? ? ? ? 491 HOH H O 1 -HETATM 2380 O O . HOH H 7 . ? 14.544 16.387 17.240 0.81 33.68 ? ? ? ? ? ? 492 HOH H O 1 -HETATM 2381 O O . HOH H 7 . ? 30.946 -13.280 29.808 0.77 32.40 ? ? ? ? ? ? 493 HOH H O 1 -HETATM 2382 O O . HOH H 7 . ? 0.858 -2.123 36.544 0.75 32.41 ? ? ? ? ? ? 494 HOH H O 1 -HETATM 2383 O O . HOH H 7 . ? 11.872 -19.085 38.908 0.64 33.49 ? ? ? ? ? ? 495 HOH H O 1 -HETATM 2384 O O . HOH H 7 . ? 11.256 -0.334 41.111 0.64 32.86 ? ? ? ? ? ? 496 HOH H O 1 -HETATM 2385 O O . HOH H 7 . ? 6.630 -13.314 28.665 0.79 26.15 ? ? ? ? ? ? 497 HOH H O 1 -HETATM 2386 O O . HOH H 7 . ? 6.971 -14.847 38.245 0.81 29.40 ? ? ? ? ? ? 498 HOH H O 1 -HETATM 2387 O O . HOH H 7 . ? 9.471 14.045 32.146 0.75 28.72 ? ? ? ? ? ? 500 HOH H O 1 -HETATM 2388 O O . HOH H 7 . ? 28.642 2.886 28.015 0.69 28.92 ? ? ? ? ? ? 501 HOH H O 1 -HETATM 2389 O O . HOH H 7 . ? 25.817 -11.568 39.190 0.74 32.96 ? ? ? ? ? ? 503 HOH H O 1 -HETATM 2390 O O . HOH H 7 . ? 3.607 -17.230 22.507 0.73 32.98 ? ? ? ? ? ? 506 HOH H O 1 -HETATM 2391 O O . HOH H 7 . ? -0.663 4.541 6.295 1.00 24.17 ? ? ? ? ? ? 507 HOH H O 1 -HETATM 2392 O O . HOH H 7 . ? 24.714 -11.941 8.382 0.70 30.24 ? ? ? ? ? ? 508 HOH H O 1 -HETATM 2393 O O . HOH H 7 . ? -0.350 -9.147 18.833 0.83 25.18 ? ? ? ? ? ? 509 HOH H O 1 -HETATM 2394 O O . HOH H 7 . ? 16.970 -11.972 43.163 0.68 31.98 ? ? ? ? ? ? 510 HOH H O 1 -HETATM 2395 O O . HOH H 7 . ? -5.488 0.294 12.786 0.72 31.61 ? ? ? ? ? ? 511 HOH H O 1 -HETATM 2396 O O . HOH H 7 . ? 20.354 13.385 32.573 0.78 27.89 ? ? ? ? ? ? 512 HOH H O 1 -HETATM 2397 O O . HOH H 7 . ? 26.864 -20.659 13.622 0.83 28.13 ? ? ? ? ? ? 513 HOH H O 1 -HETATM 2398 O O . HOH H 7 . ? 7.226 -10.990 11.150 0.81 27.39 ? ? ? ? ? ? 514 HOH H O 1 -HETATM 2399 O O . HOH H 7 . ? 19.942 -14.579 37.013 0.86 26.54 ? ? ? ? ? ? 515 HOH H O 1 -HETATM 2400 O O . HOH H 7 . ? -6.376 6.686 15.420 0.69 34.01 ? ? ? ? ? ? 516 HOH H O 1 -HETATM 2401 O O . HOH H 7 . ? 0.178 14.623 33.848 0.75 31.63 ? ? ? ? ? ? 517 HOH H O 1 -HETATM 2402 O O . HOH H 7 . ? 18.542 -15.573 40.829 0.68 27.94 ? ? ? ? ? ? 518 HOH H O 1 -HETATM 2403 O O . HOH H 7 . ? 26.740 -8.931 36.434 0.70 30.49 ? ? ? ? ? ? 519 HOH H O 1 -HETATM 2404 O O . HOH H 7 . ? -6.460 -5.537 17.066 0.64 32.12 ? ? ? ? ? ? 520 HOH H O 1 -HETATM 2405 O O . HOH H 7 . ? 27.922 -4.921 33.042 0.64 25.94 ? ? ? ? ? ? 521 HOH H O 1 -HETATM 2406 O O . HOH H 7 . ? 2.630 14.339 6.548 0.58 32.73 ? ? ? ? ? ? 523 HOH H O 1 -HETATM 2407 O O . HOH H 7 . ? 24.336 14.702 14.426 0.70 34.63 ? ? ? ? ? ? 524 HOH H O 1 -HETATM 2408 O O . HOH H 7 . ? 11.647 -13.025 43.134 0.71 31.92 ? ? ? ? ? ? 525 HOH H O 1 -HETATM 2409 O O . HOH H 7 . ? 7.115 8.602 39.737 0.65 37.74 ? ? ? ? ? ? 526 HOH H O 1 -HETATM 2410 O O . HOH H 7 . ? 25.865 3.874 33.265 0.75 34.33 ? ? ? ? ? ? 527 HOH H O 1 -HETATM 2411 O O . HOH H 7 . ? 15.344 14.431 25.091 0.70 35.78 ? ? ? ? ? ? 528 HOH H O 1 -HETATM 2412 O O . HOH H 7 . ? 6.543 -14.164 40.573 0.65 36.55 ? ? ? ? ? ? 529 HOH H O 1 -HETATM 2413 O O . HOH H 7 . ? 25.575 -4.781 36.429 0.72 30.08 ? ? ? ? ? ? 530 HOH H O 1 -HETATM 2414 O O . HOH H 7 . ? 14.122 -13.457 12.458 0.64 35.74 ? ? ? ? ? ? 532 HOH H O 1 -HETATM 2415 O O . HOH H 7 . ? 24.351 5.437 34.700 0.64 36.55 ? ? ? ? ? ? 533 HOH H O 1 -HETATM 2416 O O . HOH H 7 . ? -0.686 -13.240 19.682 0.86 28.78 ? ? ? ? ? ? 534 HOH H O 1 -HETATM 2417 O O . HOH H 7 . ? -1.206 -4.591 5.649 0.78 28.79 ? ? ? ? ? ? 535 HOH H O 1 -HETATM 2418 O O . HOH H 7 . ? 13.206 -14.279 29.407 0.71 30.80 ? ? ? ? ? ? 536 HOH H O 1 -HETATM 2419 O O . HOH H 7 . ? -2.598 4.392 5.799 0.75 31.14 ? ? ? ? ? ? 537 HOH H O 1 -HETATM 2420 O O . HOH H 7 . ? -3.831 -8.311 16.748 0.54 35.52 ? ? ? ? ? ? 539 HOH H O 1 -HETATM 2421 O O . HOH I 7 . ? 6.088 -6.742 -5.945 0.69 36.27 ? ? ? ? ? ? 419 HOH I O 1 -HETATM 2422 O O . HOH I 7 . ? 19.465 -0.591 -4.485 0.86 32.34 ? ? ? ? ? ? 435 HOH I O 1 -HETATM 2423 O O . HOH I 7 . ? 17.363 -2.130 -4.218 0.81 33.83 ? ? ? ? ? ? 476 HOH I O 1 -HETATM 2424 O O . HOH I 7 . ? 3.412 -7.820 -4.837 0.71 33.73 ? ? ? ? ? ? 483 HOH I O 1 -HETATM 2425 O O . HOH I 7 . ? 2.248 -0.438 -3.180 0.72 30.61 ? ? ? ? ? ? 504 HOH I O 1 -HETATM 2426 O O . HOH I 7 . ? 18.375 0.274 -9.656 0.67 37.49 ? ? ? ? ? ? 531 HOH I O 1 -HETATM 2427 O O . HOH J 7 . ? -2.186 12.007 23.167 0.90 17.26 ? ? ? ? ? ? 382 HOH L O 1 -HETATM 2428 O O . HOH J 7 . ? -6.499 6.251 26.260 0.86 24.38 ? ? ? ? ? ? 391 HOH L O 1 -HETATM 2429 O O . HOH J 7 . ? -2.832 0.680 34.246 0.94 22.88 ? ? ? ? ? ? 408 HOH L O 1 -HETATM 2430 O O . HOH J 7 . ? -0.735 17.659 13.256 0.76 29.50 ? ? ? ? ? ? 415 HOH L O 1 -HETATM 2431 O O . HOH J 7 . ? -5.346 10.830 15.123 0.84 22.60 ? ? ? ? ? ? 462 HOH L O 1 -HETATM 2432 O O . HOH J 7 . ? -7.752 10.467 18.879 0.76 33.07 ? ? ? ? ? ? 473 HOH L O 1 -HETATM 2433 O O . HOH J 7 . ? -9.147 11.575 21.805 0.68 32.97 ? ? ? ? ? ? 477 HOH L O 1 -HETATM 2434 O O . HOH J 7 . ? 13.747 17.928 20.285 0.79 31.55 ? ? ? ? ? ? 499 HOH L O 1 -HETATM 2435 O O . HOH J 7 . ? -6.368 12.885 13.346 0.66 31.96 ? ? ? ? ? ? 502 HOH L O 1 -HETATM 2436 O O . HOH J 7 . ? -2.657 14.587 24.146 0.67 34.53 ? ? ? ? ? ? 505 HOH L O 1 -HETATM 2437 O O . HOH J 7 . ? 10.181 19.049 14.680 0.84 34.64 ? ? ? ? ? ? 522 HOH L O 1 -HETATM 2438 O O . HOH J 7 . ? 2.002 20.039 21.193 0.68 36.00 ? ? ? ? ? ? 538 HOH L O 1 -HETATM 2439 O O . HOH J 7 . ? -2.339 21.587 16.215 0.55 35.61 ? ? ? ? ? ? 540 HOH L O 1 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 THR 1 1 ? ? ? L H n -A 1 2 PHE 2 1 ? ? ? L G n -A 1 3 GLY 3 1 ? ? ? L F n -A 1 4 SER 4 1 ? ? ? L E n -A 1 5 GLY 5 1 ? ? ? L D n -A 1 6 GLU 6 1 ? ? ? L C n -A 1 7 ALA 7 1 ? ? ? L B n -A 1 8 ASP 8 1 1 ASP ASP L A n -A 1 9 CYS 9 1 1 CYS CYS L . n -A 1 10 GLY 10 2 2 GLY GLY L . n -A 1 11 LEU 11 3 3 LEU LEU L . n -A 1 12 ARG 12 4 4 ARG ARG L . n -A 1 13 PRO 13 5 5 PRO PRO L . n -A 1 14 LEU 14 6 6 LEU LEU L . n -A 1 15 PHE 15 7 7 PHE PHE L . n -A 1 16 GLU 16 8 8 GLU GLU L . n -A 1 17 LYS 17 9 9 LYS LYS L . n -A 1 18 LYS 18 10 10 LYS LYS L . n -A 1 19 SER 19 11 11 SER SER L . n -A 1 20 LEU 20 12 12 LEU LEU L . n -A 1 21 GLU 21 13 13 GLU GLU L . n -A 1 22 ASP 22 14 14 ASP ASP L . n -A 1 23 LYS 23 14 14 LYS LYS L A n -A 1 24 THR 24 14 14 THR THR L B n -A 1 25 GLU 25 14 14 GLU GLU L C n -A 1 26 ARG 26 14 14 ARG ARG L D n -A 1 27 GLU 27 14 14 GLU GLU L E n -A 1 28 LEU 28 14 14 LEU LEU L F n -A 1 29 LEU 29 14 14 LEU LEU L G n -A 1 30 GLU 30 14 14 GLU GLU L H n -A 1 31 SER 31 14 14 SER SER L I n -A 1 32 TYR 32 14 14 TYR TYR L J n -A 1 33 ILE 33 14 14 ILE ILE L K n -A 1 34 ASP 34 14 ? ? ? L L n -A 1 35 GLY 35 14 ? ? ? L M n -A 1 36 ARG 36 14 ? ? ? L N n -B 2 1 ILE 1 16 16 ILE ILE H . n -B 2 2 VAL 2 17 17 VAL VAL H . n -B 2 3 GLU 3 18 18 GLU GLU H . n -B 2 4 GLY 4 19 19 GLY GLY H . n -B 2 5 SER 5 20 20 SER SER H . n -B 2 6 ASP 6 21 21 ASP ASP H . n -B 2 7 ALA 7 22 22 ALA ALA H . n -B 2 8 GLU 8 23 23 GLU GLU H . n -B 2 9 ILE 9 24 24 ILE ILE H . n -B 2 10 GLY 10 25 25 GLY GLY H . n -B 2 11 MET 11 26 26 MET MET H . n -B 2 12 SER 12 27 27 SER SER H . n -B 2 13 PRO 13 28 28 PRO PRO H . n -B 2 14 TRP 14 29 29 TRP TRP H . n -B 2 15 GLN 15 30 30 GLN GLN H . n -B 2 16 VAL 16 31 31 VAL VAL H . n -B 2 17 MET 17 32 32 MET MET H . n -B 2 18 LEU 18 33 33 LEU LEU H . n -B 2 19 PHE 19 34 34 PHE PHE H . n -B 2 20 ARG 20 35 35 ARG ARG H . n -B 2 21 LYS 21 36 36 LYS LYS H . n -B 2 22 SER 22 36 36 SER SER H A n -B 2 23 PRO 23 37 37 PRO PRO H . n -B 2 24 GLN 24 38 38 GLN GLN H . n -B 2 25 GLU 25 39 39 GLU GLU H . n -B 2 26 LEU 26 40 40 LEU LEU H . n -B 2 27 LEU 27 41 41 LEU LEU H . n -B 2 28 CYS 28 42 42 CYS CYS H . n -B 2 29 GLY 29 43 43 GLY GLY H . n -B 2 30 ALA 30 44 44 ALA ALA H . n -B 2 31 SER 31 45 45 SER SER H . n -B 2 32 LEU 32 46 46 LEU LEU H . n -B 2 33 ILE 33 47 47 ILE ILE H . n -B 2 34 SER 34 48 48 SER SER H . n -B 2 35 ASP 35 49 49 ASP ASP H . n -B 2 36 ARG 36 50 50 ARG ARG H . n -B 2 37 TRP 37 51 51 TRP TRP H . n -B 2 38 VAL 38 52 52 VAL VAL H . n -B 2 39 LEU 39 53 53 LEU LEU H . n -B 2 40 THR 40 54 54 THR THR H . n -B 2 41 ALA 41 55 55 ALA ALA H . n -B 2 42 ALA 42 56 56 ALA ALA H . n -B 2 43 HIS 43 57 57 HIS HIS H . n -B 2 44 CYS 44 58 58 CYS CYS H . n -B 2 45 LEU 45 59 59 LEU LEU H . n -B 2 46 LEU 46 60 60 LEU LEU H . n -B 2 47 TYR 47 60 60 TYR TYR H A n -B 2 48 PRO 48 60 60 PRO PRO H B n -B 2 49 PRO 49 60 60 PRO PRO H C n -B 2 50 TRP 50 60 60 TRP TRP H D n -B 2 51 ASP 51 60 60 ASP ASP H E n -B 2 52 LYS 52 60 60 LYS LYS H F n -B 2 53 ASN 53 60 60 ASN ASN H G n -B 2 54 PHE 54 60 60 PHE PHE H H n -B 2 55 THR 55 60 60 THR THR H I n -B 2 56 GLU 56 61 61 GLU GLU H . n -B 2 57 ASN 57 62 62 ASN ASN H . n -B 2 58 ASP 58 63 63 ASP ASP H . n -B 2 59 LEU 59 64 64 LEU LEU H . n -B 2 60 LEU 60 65 65 LEU LEU H . n -B 2 61 VAL 61 66 66 VAL VAL H . n -B 2 62 ARG 62 67 67 ARG ARG H . n -B 2 63 ILE 63 68 68 ILE ILE H . n -B 2 64 GLY 64 69 69 GLY GLY H . n -B 2 65 LYS 65 70 70 LYS LYS H . n -B 2 66 HIS 66 71 71 HIS HIS H . n -B 2 67 SER 67 72 72 SER SER H . n -B 2 68 ARG 68 73 73 ARG ARG H . n -B 2 69 THR 69 74 74 THR THR H . n -B 2 70 ARG 70 75 75 ARG ARG H . n -B 2 71 TYR 71 76 76 TYR TYR H . n -B 2 72 GLU 72 77 77 GLU GLU H . n -B 2 73 ARG 73 77 77 ARG ARG H A n -B 2 74 ASN 74 78 78 ASN ASN H . n -B 2 75 ILE 75 79 79 ILE ILE H . n -B 2 76 GLU 76 80 80 GLU GLU H . n -B 2 77 LYS 77 81 81 LYS LYS H . n -B 2 78 ILE 78 82 82 ILE ILE H . n -B 2 79 SER 79 83 83 SER SER H . n -B 2 80 MET 80 84 84 MET MET H . n -B 2 81 LEU 81 85 85 LEU LEU H . n -B 2 82 GLU 82 86 86 GLU GLU H . n -B 2 83 LYS 83 87 87 LYS LYS H . n -B 2 84 ILE 84 88 88 ILE ILE H . n -B 2 85 TYR 85 89 89 TYR TYR H . n -B 2 86 ILE 86 90 90 ILE ILE H . n -B 2 87 HIS 87 91 91 HIS HIS H . n -B 2 88 PRO 88 92 92 PRO PRO H . n -B 2 89 ARG 89 93 93 ARG ARG H . n -B 2 90 TYR 90 94 94 TYR TYR H . n -B 2 91 ASN 91 95 95 ASN ASN H . n -B 2 92 TRP 92 96 96 TRP TRP H . n -B 2 93 ARG 93 97 97 ARG ARG H . n -B 2 94 GLU 94 97 97 GLU GLU H A n -B 2 95 ASN 95 98 98 ASN ASN H . n -B 2 96 LEU 96 99 99 LEU LEU H . n -B 2 97 ASP 97 100 100 ASP ASP H . n -B 2 98 ARG 98 101 101 ARG ARG H . n -B 2 99 ASP 99 102 102 ASP ASP H . n -B 2 100 ILE 100 103 103 ILE ILE H . n -B 2 101 ALA 101 104 104 ALA ALA H . n -B 2 102 LEU 102 105 105 LEU LEU H . n -B 2 103 MET 103 106 106 MET MET H . n -B 2 104 LYS 104 107 107 LYS LYS H . n -B 2 105 LEU 105 108 108 LEU LEU H . n -B 2 106 LYS 106 109 109 LYS LYS H . n -B 2 107 LYS 107 110 110 LYS LYS H . n -B 2 108 PRO 108 111 111 PRO PRO H . n -B 2 109 VAL 109 112 112 VAL VAL H . n -B 2 110 ALA 110 113 113 ALA ALA H . n -B 2 111 PHE 111 114 114 PHE PHE H . n -B 2 112 SER 112 115 115 SER SER H . n -B 2 113 ASP 113 116 116 ASP ASP H . n -B 2 114 TYR 114 117 117 TYR TYR H . n -B 2 115 ILE 115 118 118 ILE ILE H . n -B 2 116 HIS 116 119 119 HIS HIS H . n -B 2 117 PRO 117 120 120 PRO PRO H . n -B 2 118 VAL 118 121 121 VAL VAL H . n -B 2 119 CYS 119 122 122 CYS CYS H . n -B 2 120 LEU 120 123 123 LEU LEU H . n -B 2 121 PRO 121 124 124 PRO PRO H . n -B 2 122 ASP 122 125 125 ASP ASP H . n -B 2 123 ARG 123 126 126 ARG ARG H . n -B 2 124 GLU 124 127 127 GLU GLU H . n -B 2 125 THR 125 128 128 THR THR H . n -B 2 126 ALA 126 129 129 ALA ALA H . n -B 2 127 ALA 127 129 129 ALA ALA H A n -B 2 128 SER 128 129 129 SER SER H B n -B 2 129 LEU 129 129 129 LEU LEU H C n -B 2 130 LEU 130 130 130 LEU LEU H . n -B 2 131 GLN 131 131 131 GLN GLN H . n -B 2 132 ALA 132 132 132 ALA ALA H . n -B 2 133 GLY 133 133 133 GLY GLY H . n -B 2 134 TYR 134 134 134 TYR TYR H . n -B 2 135 LYS 135 135 135 LYS LYS H . n -B 2 136 GLY 136 136 136 GLY GLY H . n -B 2 137 ARG 137 137 137 ARG ARG H . n -B 2 138 VAL 138 138 138 VAL VAL H . n -B 2 139 THR 139 139 139 THR THR H . n -B 2 140 GLY 140 140 140 GLY GLY H . n -B 2 141 TRP 141 141 141 TRP TRP H . n -B 2 142 GLY 142 142 142 GLY GLY H . n -B 2 143 ASN 143 143 143 ASN ASN H . n -B 2 144 LEU 144 144 144 LEU LEU H . n -B 2 145 LYS 145 145 145 LYS LYS H . n -B 2 146 GLU 146 146 146 GLU GLU H . n -B 2 147 THR 147 146 ? ? ? H A n -B 2 148 TRP 148 146 ? ? ? H B n -B 2 149 THR 149 146 ? ? ? H C n -B 2 150 ALA 150 146 ? ? ? H D n -B 2 151 ASN 151 146 ? ? ? H E n -B 2 152 VAL 152 146 ? ? ? H F n -B 2 153 GLY 153 146 ? ? ? H G n -B 2 154 LYS 154 146 ? ? ? H H n -B 2 155 GLY 155 150 150 GLY GLY H . n -B 2 156 GLN 156 151 151 GLN GLN H . n -B 2 157 PRO 157 152 152 PRO PRO H . n -B 2 158 SER 158 153 153 SER SER H . n -B 2 159 VAL 159 154 154 VAL VAL H . n -B 2 160 LEU 160 155 155 LEU LEU H . n -B 2 161 GLN 161 156 156 GLN GLN H . n -B 2 162 VAL 162 157 157 VAL VAL H . n -B 2 163 VAL 163 158 158 VAL VAL H . n -B 2 164 ASN 164 159 159 ASN ASN H . n -B 2 165 LEU 165 160 160 LEU LEU H . n -B 2 166 PRO 166 161 161 PRO PRO H . n -B 2 167 ILE 167 162 162 ILE ILE H . n -B 2 168 VAL 168 163 163 VAL VAL H . n -B 2 169 GLU 169 164 164 GLU GLU H . n -B 2 170 ARG 170 165 165 ARG ARG H . n -B 2 171 PRO 171 166 166 PRO PRO H . n -B 2 172 VAL 172 167 167 VAL VAL H . n -B 2 173 CYS 173 168 168 CYS CYS H . n -B 2 174 LYS 174 169 169 LYS LYS H . n -B 2 175 ASP 175 170 170 ASP ASP H . n -B 2 176 SER 176 171 171 SER SER H . n -B 2 177 THR 177 172 172 THR THR H . n -B 2 178 ARG 178 173 173 ARG ARG H . n -B 2 179 ILE 179 174 174 ILE ILE H . n -B 2 180 ARG 180 175 175 ARG ARG H . n -B 2 181 ILE 181 176 176 ILE ILE H . n -B 2 182 THR 182 177 177 THR THR H . n -B 2 183 ASP 183 178 178 ASP ASP H . n -B 2 184 ASN 184 179 179 ASN ASN H . n -B 2 185 MET 185 180 180 MET MET H . n -B 2 186 PHE 186 181 181 PHE PHE H . n -B 2 187 CYS 187 182 182 CYS CYS H . n -B 2 188 ALA 188 183 183 ALA ALA H . n -B 2 189 GLY 189 184 184 GLY GLY H . n -B 2 190 TYR 190 184 184 TYR TYR H A n -B 2 191 LYS 191 185 185 LYS LYS H . n -B 2 192 PRO 192 186 186 PRO PRO H . n -B 2 193 ASP 193 186 186 ASP ASP H A n -B 2 194 GLU 194 186 186 GLU GLU H B n -B 2 195 GLY 195 186 186 GLY GLY H C n -B 2 196 LYS 196 186 186 LYS LYS H D n -B 2 197 ARG 197 187 187 ARG ARG H . n -B 2 198 GLY 198 188 188 GLY GLY H . n -B 2 199 ASP 199 189 189 ASP ASP H . n -B 2 200 ALA 200 190 190 ALA ALA H . n -B 2 201 CYS 201 191 191 CYS CYS H . n -B 2 202 GLU 202 192 192 GLU GLU H . n -B 2 203 GLY 203 193 193 GLY GLY H . n -B 2 204 ASP 204 194 194 ASP ASP H . n -B 2 205 SER 205 195 195 SER SER H . n -B 2 206 GLY 206 196 196 GLY GLY H . n -B 2 207 GLY 207 197 197 GLY GLY H . n -B 2 208 PRO 208 198 198 PRO PRO H . n -B 2 209 PHE 209 199 199 PHE PHE H . n -B 2 210 VAL 210 200 200 VAL VAL H . n -B 2 211 MET 211 201 201 MET MET H . n -B 2 212 LYS 212 202 202 LYS LYS H . n -B 2 213 SER 213 203 203 SER SER H . n -B 2 214 PRO 214 204 204 PRO PRO H . n -B 2 215 PHE 215 204 204 PHE PHE H A n -B 2 216 ASN 216 204 204 ASN ASN H B n -B 2 217 ASN 217 205 205 ASN ASN H . n -B 2 218 ARG 218 206 206 ARG ARG H . n -B 2 219 TRP 219 207 207 TRP TRP H . n -B 2 220 TYR 220 208 208 TYR TYR H . n -B 2 221 GLN 221 209 209 GLN GLN H . n -B 2 222 MET 222 210 210 MET MET H . n -B 2 223 GLY 223 211 211 GLY GLY H . n -B 2 224 ILE 224 212 212 ILE ILE H . n -B 2 225 VAL 225 213 213 VAL VAL H . n -B 2 226 SER 226 214 214 SER SER H . n -B 2 227 TRP 227 215 215 TRP TRP H . n -B 2 228 GLY 228 216 216 GLY GLY H . n -B 2 229 GLU 229 217 217 GLU GLU H . n -B 2 230 GLY 230 219 219 GLY GLY H . n -B 2 231 CYS 231 220 220 CYS CYS H . n -B 2 232 ASP 232 221 221 ASP ASP H . n -B 2 233 ARG 233 221 221 ARG ARG H A n -B 2 234 ASP 234 222 222 ASP ASP H . n -B 2 235 GLY 235 223 223 GLY GLY H . n -B 2 236 LYS 236 224 224 LYS LYS H . n -B 2 237 TYR 237 225 225 TYR TYR H . n -B 2 238 GLY 238 226 226 GLY GLY H . n -B 2 239 PHE 239 227 227 PHE PHE H . n -B 2 240 TYR 240 228 228 TYR TYR H . n -B 2 241 THR 241 229 229 THR THR H . n -B 2 242 HIS 242 230 230 HIS HIS H . n -B 2 243 VAL 243 231 231 VAL VAL H . n -B 2 244 PHE 244 232 232 PHE PHE H . n -B 2 245 ARG 245 233 233 ARG ARG H . n -B 2 246 LEU 246 234 234 LEU LEU H . n -B 2 247 LYS 247 235 235 LYS LYS H . n -B 2 248 LYS 248 236 236 LYS LYS H . n -B 2 249 TRP 249 237 237 TRP TRP H . n -B 2 250 ILE 250 238 238 ILE ILE H . n -B 2 251 GLN 251 239 239 GLN GLN H . n -B 2 252 LYS 252 240 240 LYS LYS H . n -B 2 253 VAL 253 241 241 VAL VAL H . n -B 2 254 ILE 254 242 242 ILE ILE H . n -B 2 255 ASP 255 243 243 ASP ASP H . n -B 2 256 GLN 256 244 244 GLN GLN H . n -B 2 257 PHE 257 245 ? ? ? H . n -B 2 258 GLY 258 246 ? ? ? H . n -B 2 259 GLU 259 247 ? ? ? H . n -C 3 1 ASN 1 353 ? ? ? I . n -C 3 2 GLY 2 354 ? ? ? I . n -C 3 3 ASP 3 355 355 ASP ASP I . n -C 3 4 PHE 4 356 356 PHE PHE I . n -C 3 5 GLU 5 357 357 GLU GLU I . n -C 3 6 GLU 6 358 358 GLU GLU I . n -C 3 7 ILE 7 359 359 ILE ILE I . n -C 3 8 PRO 8 360 360 PRO PRO I . n -C 3 9 GLU 9 361 361 GLU GLU I . n -C 3 10 GLU 10 362 362 GLU GLU I . n -C 3 11 TYS 11 363 363 TYS TYS I . n -C 3 12 LEU 12 364 ? ? ? I . n -# -loop_ -_software.name -_software.classification -_software.version -_software.citation_id -_software.pdbx_ordinal -R-AXIS 'data collection' . ? 1 -R-AXIS 'data reduction' . ? 2 -PROFFT refinement . ? 3 -# -loop_ -_pdbx_version.entry_id -_pdbx_version.revision_date -_pdbx_version.major_version -_pdbx_version.minor_version -_pdbx_version.details -1A4W 2007-03-16 3 100 ? -1A4W 2008-03-24 3 2 'compliance with PDB format V.3.15' -# -loop_ -_pdbx_unobs_or_zero_occ_residues.id -_pdbx_unobs_or_zero_occ_residues.polymer_flag -_pdbx_unobs_or_zero_occ_residues.occupancy_flag -_pdbx_unobs_or_zero_occ_residues.PDB_model_num -_pdbx_unobs_or_zero_occ_residues.auth_asym_id -_pdbx_unobs_or_zero_occ_residues.auth_comp_id -_pdbx_unobs_or_zero_occ_residues.auth_seq_id -_pdbx_unobs_or_zero_occ_residues.PDB_ins_code -1 Y 1 1 L THR 1 H -2 Y 1 1 L PHE 1 G -3 Y 1 1 L GLY 1 F -4 Y 1 1 L SER 1 E -5 Y 1 1 L GLY 1 D -6 Y 1 1 L GLU 1 C -7 Y 1 1 L ALA 1 B -8 Y 1 1 L ASP 14 L -9 Y 1 1 L GLY 14 M -10 Y 1 1 L ARG 14 N -11 Y 1 1 H THR 146 A -12 Y 1 1 H TRP 146 B -13 Y 1 1 H THR 146 C -14 Y 1 1 H ALA 146 D -15 Y 1 1 H ASN 146 E -16 Y 1 1 H VAL 146 F -17 Y 1 1 H GLY 146 G -18 Y 1 1 H LYS 146 H -19 Y 1 1 H PHE 245 ? -20 Y 1 1 H GLY 246 ? -21 Y 1 1 H GLU 247 ? -22 Y 1 1 I ASN 353 ? -23 Y 1 1 I GLY 354 ? -24 Y 1 1 I LEU 364 ? -# -loop_ -_pdbx_unobs_or_zero_occ_atoms.id -_pdbx_unobs_or_zero_occ_atoms.polymer_flag -_pdbx_unobs_or_zero_occ_atoms.occupancy_flag -_pdbx_unobs_or_zero_occ_atoms.PDB_model_num -_pdbx_unobs_or_zero_occ_atoms.auth_asym_id -_pdbx_unobs_or_zero_occ_atoms.auth_comp_id -_pdbx_unobs_or_zero_occ_atoms.auth_seq_id -_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code -_pdbx_unobs_or_zero_occ_atoms.auth_atom_id -_pdbx_unobs_or_zero_occ_atoms.label_alt_id -1 Y 1 1 L LYS 14 A CG ? -2 Y 1 1 L LYS 14 A CD ? -3 Y 1 1 L LYS 14 A CE ? -4 Y 1 1 L LYS 14 A NZ ? -5 Y 1 1 L ARG 14 D CG ? -6 Y 1 1 L ARG 14 D CD ? -7 Y 1 1 L ARG 14 D NE ? -8 Y 1 1 L ARG 14 D CZ ? -9 Y 1 1 L ARG 14 D NH1 ? -10 Y 1 1 L ARG 14 D NH2 ? -11 Y 1 1 L ILE 14 K CB ? -12 Y 1 1 L ILE 14 K CG1 ? -13 Y 1 1 L ILE 14 K CG2 ? -14 Y 1 1 L ILE 14 K CD1 ? -15 Y 1 1 H ASN 62 ? CB ? -16 Y 1 1 H ASN 62 ? CG ? -17 Y 1 1 H ASN 62 ? OD1 ? -18 Y 1 1 H ASN 62 ? ND2 ? -19 Y 1 1 H ARG 75 ? CB ? -20 Y 1 1 H ARG 75 ? CG ? -21 Y 1 1 H ARG 75 ? CD ? -22 Y 1 1 H ARG 75 ? NE ? -23 Y 1 1 H ARG 75 ? CZ ? -24 Y 1 1 H ARG 75 ? NH1 ? -25 Y 1 1 H ARG 75 ? NH2 ? -26 Y 1 1 H ARG 77 A CB ? -27 Y 1 1 H ARG 77 A CG ? -28 Y 1 1 H ARG 77 A CD ? -29 Y 1 1 H ARG 77 A NE ? -30 Y 1 1 H ARG 77 A CZ ? -31 Y 1 1 H ARG 77 A NH1 ? -32 Y 1 1 H ARG 77 A NH2 ? -33 Y 1 1 H LYS 110 ? CG ? -34 Y 1 1 H LYS 110 ? CD ? -35 Y 1 1 H LYS 110 ? CE ? -36 Y 1 1 H LYS 110 ? NZ ? -37 Y 1 1 H ASP 125 ? CG ? -38 Y 1 1 H ASP 125 ? OD1 ? -39 Y 1 1 H ASP 125 ? OD2 ? -40 Y 1 1 H LYS 145 ? CG ? -41 Y 1 1 H LYS 145 ? CD ? -42 Y 1 1 H LYS 145 ? CE ? -43 Y 1 1 H LYS 145 ? NZ ? -44 Y 1 1 H ASP 186 A CB ? -45 Y 1 1 H ASP 186 A CG ? -46 Y 1 1 H ASP 186 A OD1 ? -47 Y 1 1 H ASP 186 A OD2 ? -48 Y 1 1 H LYS 240 ? CD ? -49 Y 1 1 H LYS 240 ? CE ? -50 Y 1 1 H LYS 240 ? NZ ? -51 Y 1 1 H GLN 244 ? CB ? -52 Y 1 1 H GLN 244 ? CG ? -53 Y 1 1 H GLN 244 ? CD ? -54 Y 1 1 H GLN 244 ? OE1 ? -55 Y 1 1 H GLN 244 ? NE2 ? -56 Y 1 1 I ASP 355 ? CB ? -57 Y 1 1 I ASP 355 ? CG ? -58 Y 1 1 I ASP 355 ? OD1 ? -59 Y 1 1 I ASP 355 ? OD2 ? -60 Y 1 1 I GLU 358 ? CB ? -61 Y 1 1 I GLU 358 ? CG ? -62 Y 1 1 I GLU 358 ? CD ? -63 Y 1 1 I GLU 358 ? OE1 ? -64 Y 1 1 I GLU 358 ? OE2 ? -65 Y 1 1 I GLU 361 ? CG ? -66 Y 1 1 I GLU 361 ? CD ? -67 Y 1 1 I GLU 361 ? OE1 ? -68 Y 1 1 I GLU 361 ? OE2 ? -69 Y 1 1 I GLU 362 ? CG ? -70 Y 1 1 I GLU 362 ? CD ? -71 Y 1 1 I GLU 362 ? OE1 ? -72 Y 1 1 I GLU 362 ? OE2 ? -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details trimeric -_pdbx_struct_assembly.oligomeric_count 3 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,J,B,D,E,F,G,H,C,I -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 -_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 -_pdbx_struct_oper_list.vector[1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 -_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 -_pdbx_struct_oper_list.vector[2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 -_pdbx_struct_oper_list.vector[3] 0.0000000000 -# -_pdbx_entry_details.entry_id 1A4W -_pdbx_entry_details.compound_details -;THROMBIN IS CLEAVED BETWEEN RESIDUES 15 AND 16. CHAIN -IDENTIFIER *L* IS USED FOR RESIDUES 1H - 15 AND CHAIN -IDENTIFIER *H* IS USED FOR RESIDUES 16 - 247. CHAIN -IDENTIFIER *I* IS USED FOR HIRUGEN, THE CARBOXYL. -RESIDUES DAN R 373, ARG R 350, PIP R 375, AND TZL R 377 -CONSTITUTE THE ACTIVE SITE INHIBITOR. -; -_pdbx_entry_details.source_details ? -_pdbx_entry_details.nonpolymer_details ? -_pdbx_entry_details.sequence_details ? -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -D 4 NA 1 541 541 NA NA H . -E 4 NA 1 542 542 NA NA H . -F 5 ANS 1 373 373 ANS ANS H . -F 5 DAR 2 350 350 DAR ARG H . -F 5 2EP 3 375 375 2EP 2EP H . -G 6 KTH 1 377 377 KTH KTH H . -H 7 HOH 1 380 380 HOH HOH H . -H 7 HOH 2 381 381 HOH HOH H . -H 7 HOH 3 383 383 HOH HOH H . -H 7 HOH 4 384 384 HOH HOH H . -H 7 HOH 5 385 385 HOH HOH H . -H 7 HOH 6 386 386 HOH HOH H . -H 7 HOH 7 387 387 HOH HOH H . -H 7 HOH 8 389 389 HOH HOH H . -H 7 HOH 9 390 390 HOH HOH H . -H 7 HOH 10 392 392 HOH HOH H . -H 7 HOH 11 393 393 HOH HOH H . -H 7 HOH 12 394 394 HOH HOH H . -H 7 HOH 13 395 395 HOH HOH H . -H 7 HOH 14 396 396 HOH HOH H . -H 7 HOH 15 397 397 HOH HOH H . -H 7 HOH 16 398 398 HOH HOH H . -H 7 HOH 17 399 399 HOH HOH H . -H 7 HOH 18 400 400 HOH HOH H . -H 7 HOH 19 401 401 HOH HOH H . -H 7 HOH 20 402 402 HOH HOH H . -H 7 HOH 21 403 403 HOH HOH H . -H 7 HOH 22 404 404 HOH HOH H . -H 7 HOH 23 405 405 HOH HOH H . -H 7 HOH 24 406 406 HOH HOH H . -H 7 HOH 25 407 407 HOH HOH H . -H 7 HOH 26 409 409 HOH HOH H . -H 7 HOH 27 410 410 HOH HOH H . -H 7 HOH 28 411 411 HOH HOH H . -H 7 HOH 29 412 412 HOH HOH H . -H 7 HOH 30 413 413 HOH HOH H . -H 7 HOH 31 414 414 HOH HOH H . -H 7 HOH 32 416 416 HOH HOH H . -H 7 HOH 33 417 417 HOH HOH H . -H 7 HOH 34 418 418 HOH HOH H . -H 7 HOH 35 420 420 HOH HOH H . -H 7 HOH 36 421 421 HOH HOH H . -H 7 HOH 37 422 422 HOH HOH H . -H 7 HOH 38 423 423 HOH HOH H . -H 7 HOH 39 424 424 HOH HOH H . -H 7 HOH 40 425 425 HOH HOH H . -H 7 HOH 41 426 426 HOH HOH H . -H 7 HOH 42 427 427 HOH HOH H . -H 7 HOH 43 428 428 HOH HOH H . -H 7 HOH 44 429 429 HOH HOH H . -H 7 HOH 45 430 430 HOH HOH H . -H 7 HOH 46 431 431 HOH HOH H . -H 7 HOH 47 432 432 HOH HOH H . -H 7 HOH 48 434 434 HOH HOH H . -H 7 HOH 49 436 436 HOH HOH H . -H 7 HOH 50 438 438 HOH HOH H . -H 7 HOH 51 439 439 HOH HOH H . -H 7 HOH 52 440 440 HOH HOH H . -H 7 HOH 53 441 441 HOH HOH H . -H 7 HOH 54 442 442 HOH HOH H . -H 7 HOH 55 443 443 HOH HOH H . -H 7 HOH 56 444 444 HOH HOH H . -H 7 HOH 57 445 445 HOH HOH H . -H 7 HOH 58 446 446 HOH HOH H . -H 7 HOH 59 447 447 HOH HOH H . -H 7 HOH 60 448 448 HOH HOH H . -H 7 HOH 61 449 449 HOH HOH H . -H 7 HOH 62 450 450 HOH HOH H . -H 7 HOH 63 451 451 HOH HOH H . -H 7 HOH 64 452 452 HOH HOH H . -H 7 HOH 65 453 453 HOH HOH H . -H 7 HOH 66 454 454 HOH HOH H . -H 7 HOH 67 455 455 HOH HOH H . -H 7 HOH 68 457 457 HOH HOH H . -H 7 HOH 69 458 458 HOH HOH H . -H 7 HOH 70 459 459 HOH HOH H . -H 7 HOH 71 460 460 HOH HOH H . -H 7 HOH 72 461 461 HOH HOH H . -H 7 HOH 73 463 463 HOH HOH H . -H 7 HOH 74 464 464 HOH HOH H . -H 7 HOH 75 465 465 HOH HOH H . -H 7 HOH 76 466 466 HOH HOH H . -H 7 HOH 77 467 467 HOH HOH H . -H 7 HOH 78 468 468 HOH HOH H . -H 7 HOH 79 469 469 HOH HOH H . -H 7 HOH 80 470 470 HOH HOH H . -H 7 HOH 81 471 471 HOH HOH H . -H 7 HOH 82 472 472 HOH HOH H . -H 7 HOH 83 474 474 HOH HOH H . -H 7 HOH 84 475 475 HOH HOH H . -H 7 HOH 85 478 478 HOH HOH H . -H 7 HOH 86 479 479 HOH HOH H . -H 7 HOH 87 480 480 HOH HOH H . -H 7 HOH 88 481 481 HOH HOH H . -H 7 HOH 89 482 482 HOH HOH H . -H 7 HOH 90 484 484 HOH HOH H . -H 7 HOH 91 485 485 HOH HOH H . -H 7 HOH 92 486 486 HOH HOH H . -H 7 HOH 93 487 487 HOH HOH H . -H 7 HOH 94 488 488 HOH HOH H . -H 7 HOH 95 489 489 HOH HOH H . -H 7 HOH 96 490 490 HOH HOH H . -H 7 HOH 97 491 491 HOH HOH H . -H 7 HOH 98 492 492 HOH HOH H . -H 7 HOH 99 493 493 HOH HOH H . -H 7 HOH 100 494 494 HOH HOH H . -H 7 HOH 101 495 495 HOH HOH H . -H 7 HOH 102 496 496 HOH HOH H . -H 7 HOH 103 497 497 HOH HOH H . -H 7 HOH 104 498 498 HOH HOH H . -H 7 HOH 105 500 500 HOH HOH H . -H 7 HOH 106 501 501 HOH HOH H . -H 7 HOH 107 503 503 HOH HOH H . -H 7 HOH 108 506 506 HOH HOH H . -H 7 HOH 109 507 507 HOH HOH H . -H 7 HOH 110 508 508 HOH HOH H . -H 7 HOH 111 509 509 HOH HOH H . -H 7 HOH 112 510 510 HOH HOH H . -H 7 HOH 113 511 511 HOH HOH H . -H 7 HOH 114 512 512 HOH HOH H . -H 7 HOH 115 513 513 HOH HOH H . -H 7 HOH 116 514 514 HOH HOH H . -H 7 HOH 117 515 515 HOH HOH H . -H 7 HOH 118 516 516 HOH HOH H . -H 7 HOH 119 517 517 HOH HOH H . -H 7 HOH 120 518 518 HOH HOH H . -H 7 HOH 121 519 519 HOH HOH H . -H 7 HOH 122 520 520 HOH HOH H . -H 7 HOH 123 521 521 HOH HOH H . -H 7 HOH 124 523 523 HOH HOH H . -H 7 HOH 125 524 524 HOH HOH H . -H 7 HOH 126 525 525 HOH HOH H . -H 7 HOH 127 526 526 HOH HOH H . -H 7 HOH 128 527 527 HOH HOH H . -H 7 HOH 129 528 528 HOH HOH H . -H 7 HOH 130 529 529 HOH HOH H . -H 7 HOH 131 530 530 HOH HOH H . -H 7 HOH 132 532 532 HOH HOH H . -H 7 HOH 133 533 533 HOH HOH H . -H 7 HOH 134 534 534 HOH HOH H . -H 7 HOH 135 535 535 HOH HOH H . -H 7 HOH 136 536 536 HOH HOH H . -H 7 HOH 137 537 537 HOH HOH H . -H 7 HOH 138 539 539 HOH HOH H . -I 7 HOH 1 419 419 HOH HOH I . -I 7 HOH 2 435 435 HOH HOH I . -I 7 HOH 3 476 476 HOH HOH I . -I 7 HOH 4 483 483 HOH HOH I . -I 7 HOH 5 504 504 HOH HOH I . -I 7 HOH 6 531 531 HOH HOH I . -J 7 HOH 1 382 382 HOH HOH L . -J 7 HOH 2 391 391 HOH HOH L . -J 7 HOH 3 408 408 HOH HOH L . -J 7 HOH 4 415 415 HOH HOH L . -J 7 HOH 5 462 462 HOH HOH L . -J 7 HOH 6 473 473 HOH HOH L . -J 7 HOH 7 477 477 HOH HOH L . -J 7 HOH 8 499 499 HOH HOH L . -J 7 HOH 9 502 502 HOH HOH L . -J 7 HOH 10 505 505 HOH HOH L . -J 7 HOH 11 522 522 HOH HOH L . -J 7 HOH 12 538 538 HOH HOH L . -J 7 HOH 13 540 540 HOH HOH L . -# -_pdbx_struct_mod_residue.id 1 -_pdbx_struct_mod_residue.label_asym_id C -_pdbx_struct_mod_residue.label_seq_id 11 -_pdbx_struct_mod_residue.label_comp_id TYS -_pdbx_struct_mod_residue.auth_asym_id I -_pdbx_struct_mod_residue.auth_seq_id 363 -_pdbx_struct_mod_residue.auth_comp_id TYS -_pdbx_struct_mod_residue.PDB_ins_code ? -_pdbx_struct_mod_residue.parent_comp_id TYR -_pdbx_struct_mod_residue.details O-SULFO-L-TYROSINE -# -_pdbx_validate_close_contact.id 1 -_pdbx_validate_close_contact.PDB_model_num 1 -_pdbx_validate_close_contact.auth_atom_id_1 NH1 -_pdbx_validate_close_contact.auth_asym_id_1 H -_pdbx_validate_close_contact.auth_comp_id_1 ARG -_pdbx_validate_close_contact.auth_seq_id_1 50 -_pdbx_validate_close_contact.PDB_ins_code_1 ? -_pdbx_validate_close_contact.label_alt_id_1 ? -_pdbx_validate_close_contact.auth_atom_id_2 O -_pdbx_validate_close_contact.auth_asym_id_2 H -_pdbx_validate_close_contact.auth_comp_id_2 LEU -_pdbx_validate_close_contact.auth_seq_id_2 108 -_pdbx_validate_close_contact.PDB_ins_code_2 ? -_pdbx_validate_close_contact.label_alt_id_2 ? -_pdbx_validate_close_contact.dist 1.96 -# -loop_ -_pdbx_validate_rmsd_angle.id -_pdbx_validate_rmsd_angle.PDB_model_num -_pdbx_validate_rmsd_angle.auth_atom_id_1 -_pdbx_validate_rmsd_angle.auth_asym_id_1 -_pdbx_validate_rmsd_angle.auth_comp_id_1 -_pdbx_validate_rmsd_angle.auth_seq_id_1 -_pdbx_validate_rmsd_angle.PDB_ins_code_1 -_pdbx_validate_rmsd_angle.label_alt_id_1 -_pdbx_validate_rmsd_angle.auth_atom_id_2 -_pdbx_validate_rmsd_angle.auth_asym_id_2 -_pdbx_validate_rmsd_angle.auth_comp_id_2 -_pdbx_validate_rmsd_angle.auth_seq_id_2 -_pdbx_validate_rmsd_angle.PDB_ins_code_2 -_pdbx_validate_rmsd_angle.label_alt_id_2 -_pdbx_validate_rmsd_angle.auth_atom_id_3 -_pdbx_validate_rmsd_angle.auth_asym_id_3 -_pdbx_validate_rmsd_angle.auth_comp_id_3 -_pdbx_validate_rmsd_angle.auth_seq_id_3 -_pdbx_validate_rmsd_angle.PDB_ins_code_3 -_pdbx_validate_rmsd_angle.label_alt_id_3 -_pdbx_validate_rmsd_angle.angle_deviation -1 1 CB L ASP 1 A ? CG L ASP 1 A ? OD1 L ASP 1 A ? -8.5 -2 1 NE L ARG 4 ? ? CZ L ARG 4 ? ? NH2 L ARG 4 ? ? 5.5 -3 1 N L SER 11 ? ? CA L SER 11 ? ? CB L SER 11 ? ? 16.1 -4 1 CB L LEU 14 G ? CG L LEU 14 G ? CD1 L LEU 14 G ? 11.0 -5 1 CB H ASP 21 ? ? CG H ASP 21 ? ? OD1 H ASP 21 ? ? 5.4 -6 1 CB H ASP 21 ? ? CG H ASP 21 ? ? OD2 H ASP 21 ? ? -5.7 -7 1 NH1 H ARG 35 ? ? CZ H ARG 35 ? ? NH2 H ARG 35 ? ? 8.3 -8 1 NE H ARG 35 ? ? CZ H ARG 35 ? ? NH2 H ARG 35 ? ? -8.4 -9 1 CB H ASP 49 ? ? CG H ASP 49 ? ? OD2 H ASP 49 ? ? 5.5 -10 1 NE H ARG 50 ? ? CZ H ARG 50 ? ? NH1 H ARG 50 ? ? 4.8 -11 1 NE H ARG 50 ? ? CZ H ARG 50 ? ? NH2 H ARG 50 ? ? -3.5 -12 1 CB H TYR 60 A ? CG H TYR 60 A ? CD1 H TYR 60 A ? -4.6 -13 1 CA H LYS 60 F ? CB H LYS 60 F ? CG H LYS 60 F ? 17.9 -14 1 CB H LEU 64 ? ? CG H LEU 64 ? ? CD2 H LEU 64 ? ? -10.5 -15 1 NE H ARG 73 ? ? CZ H ARG 73 ? ? NH1 H ARG 73 ? ? 5.5 -16 1 NE H ARG 73 ? ? CZ H ARG 73 ? ? NH2 H ARG 73 ? ? -3.1 -17 1 N H THR 74 ? ? CA H THR 74 ? ? CB H THR 74 ? ? -17.7 -18 1 OG1 H THR 74 ? ? CB H THR 74 ? ? CG2 H THR 74 ? ? 18.9 -19 1 N H SER 83 ? ? CA H SER 83 ? ? CB H SER 83 ? ? 9.2 -20 1 CD H ARG 93 ? ? NE H ARG 93 ? ? CZ H ARG 93 ? ? 20.6 -21 1 NE H ARG 93 ? ? CZ H ARG 93 ? ? NH1 H ARG 93 ? ? 8.4 -22 1 NE H ARG 93 ? ? CZ H ARG 93 ? ? NH2 H ARG 93 ? ? -3.2 -23 1 CB H TYR 94 ? ? CG H TYR 94 ? ? CD2 H TYR 94 ? ? -4.6 -24 1 CB H ASP 100 ? ? CG H ASP 100 ? ? OD2 H ASP 100 ? ? -5.5 -25 1 NE H ARG 101 ? ? CZ H ARG 101 ? ? NH1 H ARG 101 ? ? 7.2 -26 1 NE H ARG 101 ? ? CZ H ARG 101 ? ? NH2 H ARG 101 ? ? -8.5 -27 1 CB H ASP 102 ? ? CG H ASP 102 ? ? OD2 H ASP 102 ? ? -7.2 -28 1 NE H ARG 137 ? ? CZ H ARG 137 ? ? NH1 H ARG 137 ? ? 6.3 -29 1 O H VAL 138 ? ? C H VAL 138 ? ? N H THR 139 ? ? 11.8 -30 1 CA H VAL 154 ? ? CB H VAL 154 ? ? CG1 H VAL 154 ? ? 11.1 -31 1 CD H ARG 165 ? ? NE H ARG 165 ? ? CZ H ARG 165 ? ? 13.2 -32 1 NE H ARG 165 ? ? CZ H ARG 165 ? ? NH1 H ARG 165 ? ? 9.7 -33 1 NE H ARG 165 ? ? CZ H ARG 165 ? ? NH2 H ARG 165 ? ? -4.7 -34 1 CB H ASP 170 ? ? CG H ASP 170 ? ? OD2 H ASP 170 ? ? -8.1 -35 1 NE H ARG 173 ? ? CZ H ARG 173 ? ? NH2 H ARG 173 ? ? -4.5 -36 1 CB H TYR 184 A ? CG H TYR 184 A ? CD1 H TYR 184 A ? -6.2 -37 1 CG H GLU 186 B ? CD H GLU 186 B ? OE1 H GLU 186 B ? 14.4 -38 1 NE H ARG 206 ? ? CZ H ARG 206 ? ? NH2 H ARG 206 ? ? -3.7 -39 1 CB H TYR 208 ? ? CG H TYR 208 ? ? CD1 H TYR 208 ? ? -4.1 -40 1 CB H TYR 228 ? ? CG H TYR 228 ? ? CD2 H TYR 228 ? ? -3.8 -41 1 CB H PHE 232 ? ? CG H PHE 232 ? ? CD1 H PHE 232 ? ? -4.6 -42 1 NE H ARG 233 ? ? CZ H ARG 233 ? ? NH1 H ARG 233 ? ? 4.3 -43 1 NE H ARG 233 ? ? CZ H ARG 233 ? ? NH2 H ARG 233 ? ? -9.4 -44 1 CA H VAL 241 ? ? CB H VAL 241 ? ? CG1 H VAL 241 ? ? 12.4 -# -loop_ -_pdbx_validate_torsion.id -_pdbx_validate_torsion.PDB_model_num -_pdbx_validate_torsion.auth_comp_id -_pdbx_validate_torsion.auth_asym_id -_pdbx_validate_torsion.auth_seq_id -_pdbx_validate_torsion.PDB_ins_code -_pdbx_validate_torsion.phi -_pdbx_validate_torsion.psi -1 1 PHE L 7 ? -128.28 -78.63 -2 1 SER H 36 A -163.62 117.15 -3 1 ALA H 44 ? -171.19 -175.78 -4 1 TYR H 60 A -154.74 79.88 -5 1 ASN H 60 G -160.79 83.28 -6 1 HIS H 71 ? -134.72 -56.01 -7 1 ASN H 78 ? 71.84 -0.86 -8 1 GLU H 97 A -131.02 -63.15 -9 1 LYS H 186 D 179.93 143.14 -10 1 SER H 214 ? -112.77 -98.33 -# -loop_ -_pdbx_validate_main_chain_plane.id -_pdbx_validate_main_chain_plane.PDB_model_num -_pdbx_validate_main_chain_plane.auth_comp_id -_pdbx_validate_main_chain_plane.auth_asym_id -_pdbx_validate_main_chain_plane.auth_seq_id -_pdbx_validate_main_chain_plane.PDB_ins_code -_pdbx_validate_main_chain_plane.improper_torsion_angle -1 1 SER H 20 ? 11.037 -2 1 GLN H 151 ? 10.597 -# -_pdbx_validate_chiral.id 1 -_pdbx_validate_chiral.PDB_model_num 1 -_pdbx_validate_chiral.auth_comp_id SER -_pdbx_validate_chiral.auth_asym_id L -_pdbx_validate_chiral.auth_seq_id 11 -_pdbx_validate_chiral.PDB_ins_code ? -_pdbx_validate_chiral.details 'Expecting L Found L OUTSIDE RANGE' -_pdbx_validate_chiral.omega 24.575 -# -loop_ -_pdbx_validate_planes.id -_pdbx_validate_planes.PDB_model_num -_pdbx_validate_planes.auth_comp_id -_pdbx_validate_planes.auth_asym_id -_pdbx_validate_planes.auth_seq_id -_pdbx_validate_planes.PDB_ins_code -_pdbx_validate_planes.rmsd -_pdbx_validate_planes.type -1 1 ARG H 73 ? 0.122 SIDE_CHAIN -2 1 PHE H 232 ? 0.076 SIDE_CHAIN -# -loop_ -_pdbx_entity_nonpoly.entity_id -_pdbx_entity_nonpoly.name -_pdbx_entity_nonpoly.comp_id -4 'SODIUM ION' NA -5 '5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)' ANS -6 2-KETOTHIAZOLE KTH -7 water HOH -# diff --git a/biojava-structure/src/test/resources/1a4w.pdb b/biojava-structure/src/test/resources/1a4w.pdb deleted file mode 100644 index 079c15221e..0000000000 --- a/biojava-structure/src/test/resources/1a4w.pdb +++ /dev/null @@ -1,3148 +0,0 @@ -HEADER COMPLEX (SERINE PROTEASE/INHIBITORS) 06-FEB-98 1A4W -TITLE CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING -TITLE 2 INHIBITORS: PROBES OF THE S1' BINDING SITE -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); -COMPND 3 CHAIN: L; -COMPND 4 EC: 3.4.21.5; -COMPND 5 MOL_ID: 2; -COMPND 6 MOLECULE: ALPHA-THROMBIN (LARGE SUBUNIT); -COMPND 7 CHAIN: H; -COMPND 8 EC: 3.4.21.5; -COMPND 9 MOL_ID: 3; -COMPND 10 MOLECULE: HIRUGEN; -COMPND 11 CHAIN: I; -COMPND 12 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; -SOURCE 3 ORGANISM_COMMON: HUMAN; -SOURCE 4 ORGANISM_TAXID: 9606; -SOURCE 5 ORGAN: BLOOD; -SOURCE 6 TISSUE: BLOOD; -SOURCE 7 MOL_ID: 2; -SOURCE 8 ORGANISM_SCIENTIFIC: HOMO SAPIENS; -SOURCE 9 ORGANISM_COMMON: HUMAN; -SOURCE 10 ORGANISM_TAXID: 9606; -SOURCE 11 ORGAN: BLOOD; -SOURCE 12 TISSUE: BLOOD; -SOURCE 13 MOL_ID: 3 -KEYWDS COMPLEX (SERINE PROTEASE/INHIBITORS), BLOOD COAGULATION -EXPDTA X-RAY DIFFRACTION -AUTHOR J.H.MATTHEWS,R.KRISHNAN,M.J.COSTANZO,B.E.MARYANOFF, -AUTHOR 2 A.TULINSKY -REVDAT 2 24-FEB-09 1A4W 1 VERSN -REVDAT 1 29-APR-98 1A4W 0 -JRNL AUTH J.H.MATTHEWS,R.KRISHNAN,M.J.COSTANZO,B.E.MARYANOFF, -JRNL AUTH 2 A.TULINSKY -JRNL TITL CRYSTAL STRUCTURES OF THROMBIN WITH -JRNL TITL 2 THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' -JRNL TITL 3 BINDING SITE. -JRNL REF BIOPHYS.J. V. 71 2830 1996 -JRNL REFN ISSN 0006-3495 -JRNL PMID 8913620 -REMARK 1 -REMARK 1 REFERENCE 1 -REMARK 1 AUTH J.VIJAYALAKSHMI,K.P.PADMANABHAN,K.G.MANN,A.TULINSKY -REMARK 1 TITL THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, -REMARK 1 TITL 2 HIRUGEN-, AND PPACK-THROMBIN: CHANGES ACCOMPANYING -REMARK 1 TITL 3 ACTIVATION AND EXOSITE BINDING TO THROMBIN -REMARK 1 REF PROTEIN SCI. V. 3 2254 1994 -REMARK 1 REFN ISSN 0961-8368 -REMARK 1 REFERENCE 2 -REMARK 1 AUTH A.TULINSKY,X.QIU -REMARK 1 TITL ACTIVE SITE AND EXOSITE BINDING OF ALPHA-THROMBIN -REMARK 1 REF BLOOD COAGULATION V. 4 305 1993 -REMARK 1 REF 2 FIBRINOLYSIS -REMARK 1 REFN ISSN 0957-5235 -REMARK 1 REFERENCE 3 -REMARK 1 AUTH X.QIU,K.P.PADMANABHAN,V.E.CARPEROS,A.TULINSKY, -REMARK 1 AUTH 2 T.KLINE,J.M.MARAGANORE,J.W.FENTON II -REMARK 1 TITL STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND -REMARK 1 TITL 2 NATURE OF THE S' SUBSITES OF SUBSTRATES AND -REMARK 1 TITL 3 INHIBITORS -REMARK 1 REF BIOCHEMISTRY V. 31 11689 1992 -REMARK 1 REFN ISSN 0006-2960 -REMARK 2 -REMARK 2 RESOLUTION. 1.80 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : PROFFT -REMARK 3 AUTHORS : KONNERT,HENDRICKSON,FINZEL -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 4.000 -REMARK 3 COMPLETENESS FOR RANGE (%) : 65.0 -REMARK 3 NUMBER OF REFLECTIONS : 19906 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : NULL -REMARK 3 FREE R VALUE TEST SET SELECTION : NULL -REMARK 3 R VALUE (WORKING + TEST SET) : NULL -REMARK 3 R VALUE (WORKING SET) : 0.155 -REMARK 3 FREE R VALUE : NULL -REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT : NULL -REMARK 3 -REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. -REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL -REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL -REMARK 3 FREE R VALUE (NO CUTOFF) : NULL -REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL -REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 2080 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 198 -REMARK 3 SOLVENT ATOMS : 157 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 26.00 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : NULL -REMARK 3 B22 (A**2) : NULL -REMARK 3 B33 (A**2) : NULL -REMARK 3 B12 (A**2) : NULL -REMARK 3 B13 (A**2) : NULL -REMARK 3 B23 (A**2) : NULL -REMARK 3 -REMARK 3 ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL -REMARK 3 ESD FROM SIGMAA (A) : NULL -REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA -REMARK 3 BOND LENGTH (A) : 0.016 ; 0.015 -REMARK 3 ANGLE DISTANCE (A) : 0.042 ; 0.030 -REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.051 ; 0.045 -REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL -REMARK 3 -REMARK 3 PLANE RESTRAINT (A) : 0.032 ; 0.030 -REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.210 ; 0.150 -REMARK 3 -REMARK 3 NON-BONDED CONTACT RESTRAINTS. -REMARK 3 SINGLE TORSION (A) : 0.190 ; 0.600 -REMARK 3 MULTIPLE TORSION (A) : 0.210 ; 0.600 -REMARK 3 H-BOND (X...Y) (A) : 0.250 ; 0.600 -REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL -REMARK 3 -REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. -REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL -REMARK 3 PLANAR (DEGREES) : 4.000 ; 3.000 -REMARK 3 STAGGERED (DEGREES) : 20.000; 15.000 -REMARK 3 TRANSVERSE (DEGREES) : 30.000; 20.000 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : 1.100 ; 1.000 -REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.800 ; 1.500 -REMARK 3 SIDE-CHAIN BOND (A**2) : 2.800 ; 2.000 -REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.100 ; 2.500 -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1A4W COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 15-MAR-94 -REMARK 200 TEMPERATURE (KELVIN) : 298 -REMARK 200 PH : 7.3 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : N -REMARK 200 RADIATION SOURCE : ROTATING ANODE -REMARK 200 BEAMLINE : NULL -REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 -REMARK 200 MONOCHROMATOR : GRAPHITE(002) -REMARK 200 OPTICS : COLLIMATOR -REMARK 200 -REMARK 200 DETECTOR TYPE : IMAGE PLATE -REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS II -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : R-AXIS -REMARK 200 DATA SCALING SOFTWARE : R-AXIS -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23968 -REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 -REMARK 200 RESOLUTION RANGE LOW (A) : 44.200 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 69.5 -REMARK 200 DATA REDUNDANCY : 2.200 -REMARK 200 R MERGE (I) : 0.05200 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : 12.0000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.00 -REMARK 200 COMPLETENESS FOR SHELL (%) : 48.0 -REMARK 200 DATA REDUNDANCY IN SHELL : NULL -REMARK 200 R MERGE FOR SHELL (I) : 0.16500 -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : 2.610 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: NULL -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: PREVIOUS STRUCTURE -REMARK 200 SOFTWARE USED: NULL -REMARK 200 STARTING MODEL: PDB ENTRY 1FPC -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 51.00 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.40 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M SODIUM PHOSPHATE BUFFER AT PH -REMARK 280 7.3, 27-28% PEG 8000; HANGING DROPS WITH MACROSEEDING, VAPOR -REMARK 280 DIFFUSION - HANGING DROP AND MACROSEEDING -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X,Y,-Z -REMARK 290 3555 X+1/2,Y+1/2,Z -REMARK 290 4555 -X+1/2,Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 35.73500 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 36.00000 -REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 35.73500 -REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 36.00000 -REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC -REMARK 350 APPLY THE FOLLOWING TO CHAINS: L, H, I -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 400 -REMARK 400 COMPOUND -REMARK 400 -REMARK 400 THROMBIN IS CLEAVED BETWEEN RESIDUES 15 AND 16. CHAIN -REMARK 400 IDENTIFIER *L* IS USED FOR RESIDUES 1H - 15 AND CHAIN -REMARK 400 IDENTIFIER *H* IS USED FOR RESIDUES 16 - 247. CHAIN -REMARK 400 IDENTIFIER *I* IS USED FOR HIRUGEN, THE CARBOXYL. -REMARK 400 RESIDUES DAN R 373, ARG R 350, PIP R 375, AND TZL R 377 -REMARK 400 CONSTITUTE THE ACTIVE SITE INHIBITOR. -REMARK 465 -REMARK 465 MISSING RESIDUES -REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE -REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 -REMARK 465 M RES C SSSEQI -REMARK 465 THR L 1H -REMARK 465 PHE L 1G -REMARK 465 GLY L 1F -REMARK 465 SER L 1E -REMARK 465 GLY L 1D -REMARK 465 GLU L 1C -REMARK 465 ALA L 1B -REMARK 465 ASP L 14L -REMARK 465 GLY L 14M -REMARK 465 ARG L 14N -REMARK 465 THR H 146A -REMARK 465 TRP H 146B -REMARK 465 THR H 146C -REMARK 465 ALA H 146D -REMARK 465 ASN H 146E -REMARK 465 VAL H 146F -REMARK 465 GLY H 146G -REMARK 465 LYS H 146H -REMARK 465 PHE H 245 -REMARK 465 GLY H 246 -REMARK 465 GLU H 247 -REMARK 465 ASN I 353 -REMARK 465 GLY I 354 -REMARK 465 LEU I 364 -REMARK 470 -REMARK 470 MISSING ATOM -REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; -REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; -REMARK 470 I=INSERTION CODE): -REMARK 470 M RES CSSEQI ATOMS -REMARK 470 LYS L 14A CG CD CE NZ -REMARK 470 ARG L 14D CG CD NE CZ NH1 NH2 -REMARK 470 ILE L 14K CB CG1 CG2 CD1 -REMARK 470 ASN H 62 CB CG OD1 ND2 -REMARK 470 ARG H 75 CB CG CD NE CZ NH1 NH2 -REMARK 470 ARG H 77A CB CG CD NE CZ NH1 NH2 -REMARK 470 LYS H 110 CG CD CE NZ -REMARK 470 ASP H 125 CG OD1 OD2 -REMARK 470 LYS H 145 CG CD CE NZ -REMARK 470 ASP H 186A CB CG OD1 OD2 -REMARK 470 LYS H 240 CD CE NZ -REMARK 470 GLN H 244 CB CG CD OE1 NE2 -REMARK 470 ASP I 355 CB CG OD1 OD2 -REMARK 470 GLU I 358 CB CG CD OE1 OE2 -REMARK 470 GLU I 361 CG CD OE1 OE2 -REMARK 470 GLU I 362 CG CD OE1 OE2 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE -REMARK 500 NH1 ARG H 50 O LEU H 108 1.96 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 ASP L 1A CB - CG - OD1 ANGL. DEV. = -8.5 DEGREES -REMARK 500 ARG L 4 NE - CZ - NH2 ANGL. DEV. = 5.5 DEGREES -REMARK 500 SER L 11 N - CA - CB ANGL. DEV. = 16.1 DEGREES -REMARK 500 LEU L 14G CB - CG - CD1 ANGL. DEV. = 11.0 DEGREES -REMARK 500 ASP H 21 CB - CG - OD1 ANGL. DEV. = 5.4 DEGREES -REMARK 500 ASP H 21 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES -REMARK 500 ARG H 35 NH1 - CZ - NH2 ANGL. DEV. = 8.3 DEGREES -REMARK 500 ARG H 35 NE - CZ - NH2 ANGL. DEV. = -8.4 DEGREES -REMARK 500 ASP H 49 CB - CG - OD2 ANGL. DEV. = 5.5 DEGREES -REMARK 500 ARG H 50 NE - CZ - NH1 ANGL. DEV. = 4.8 DEGREES -REMARK 500 ARG H 50 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES -REMARK 500 TYR H 60A CB - CG - CD1 ANGL. DEV. = -4.6 DEGREES -REMARK 500 LYS H 60F CA - CB - CG ANGL. DEV. = 17.9 DEGREES -REMARK 500 LEU H 64 CB - CG - CD2 ANGL. DEV. = -10.5 DEGREES -REMARK 500 ARG H 73 NE - CZ - NH1 ANGL. DEV. = 5.5 DEGREES -REMARK 500 ARG H 73 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES -REMARK 500 THR H 74 N - CA - CB ANGL. DEV. = -17.7 DEGREES -REMARK 500 THR H 74 OG1 - CB - CG2 ANGL. DEV. = 18.9 DEGREES -REMARK 500 SER H 83 N - CA - CB ANGL. DEV. = 9.2 DEGREES -REMARK 500 ARG H 93 CD - NE - CZ ANGL. DEV. = 20.6 DEGREES -REMARK 500 ARG H 93 NE - CZ - NH1 ANGL. DEV. = 8.4 DEGREES -REMARK 500 ARG H 93 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES -REMARK 500 TYR H 94 CB - CG - CD2 ANGL. DEV. = -4.6 DEGREES -REMARK 500 ASP H 100 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES -REMARK 500 ARG H 101 NE - CZ - NH1 ANGL. DEV. = 7.2 DEGREES -REMARK 500 ARG H 101 NE - CZ - NH2 ANGL. DEV. = -8.5 DEGREES -REMARK 500 ASP H 102 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES -REMARK 500 ARG H 137 NE - CZ - NH1 ANGL. DEV. = 6.3 DEGREES -REMARK 500 VAL H 138 O - C - N ANGL. DEV. = 11.8 DEGREES -REMARK 500 VAL H 154 CA - CB - CG1 ANGL. DEV. = 11.1 DEGREES -REMARK 500 ARG H 165 CD - NE - CZ ANGL. DEV. = 13.2 DEGREES -REMARK 500 ARG H 165 NE - CZ - NH1 ANGL. DEV. = 9.7 DEGREES -REMARK 500 ARG H 165 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES -REMARK 500 ASP H 170 CB - CG - OD2 ANGL. DEV. = -8.1 DEGREES -REMARK 500 ARG H 173 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES -REMARK 500 TYR H 184A CB - CG - CD1 ANGL. DEV. = -6.2 DEGREES -REMARK 500 GLU H 186B CG - CD - OE1 ANGL. DEV. = 14.4 DEGREES -REMARK 500 ARG H 206 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES -REMARK 500 TYR H 208 CB - CG - CD1 ANGL. DEV. = -4.1 DEGREES -REMARK 500 TYR H 228 CB - CG - CD2 ANGL. DEV. = -3.8 DEGREES -REMARK 500 PHE H 232 CB - CG - CD1 ANGL. DEV. = -4.6 DEGREES -REMARK 500 ARG H 233 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES -REMARK 500 ARG H 233 NE - CZ - NH2 ANGL. DEV. = -9.4 DEGREES -REMARK 500 VAL H 241 CA - CB - CG1 ANGL. DEV. = 12.4 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 PHE L 7 -78.63 -128.28 -REMARK 500 SER H 36A 117.15 -163.62 -REMARK 500 ALA H 44 -175.78 -171.19 -REMARK 500 TYR H 60A 79.88 -154.74 -REMARK 500 ASN H 60G 83.28 -160.79 -REMARK 500 HIS H 71 -56.01 -134.72 -REMARK 500 ASN H 78 -0.86 71.84 -REMARK 500 GLU H 97A -63.15 -131.02 -REMARK 500 LYS H 186D 143.14 179.93 -REMARK 500 SER H 214 -98.33 -112.77 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: PLANAR GROUPS -REMARK 500 -REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL -REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE -REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN -REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS -REMARK 500 AN RMSD GREATER THAN THIS VALUE -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 M RES CSSEQI RMS TYPE -REMARK 500 ARG H 73 0.12 SIDE_CHAIN -REMARK 500 PHE H 232 0.08 SIDE_CHAIN -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY -REMARK 500 -REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY -REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER -REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; -REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; -REMARK 500 I=INSERTION CODE). -REMARK 500 -REMARK 500 M RES CSSEQI ANGLE -REMARK 500 SER H 20 11.04 -REMARK 500 GLN H 151 10.60 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 525 -REMARK 525 SOLVENT -REMARK 525 -REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT -REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST -REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT -REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE -REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; -REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE -REMARK 525 NUMBER; I=INSERTION CODE): -REMARK 525 -REMARK 525 M RES CSSEQI -REMARK 525 HOH H 537 DISTANCE = 5.46 ANGSTROMS -REMARK 620 -REMARK 620 METAL COORDINATION -REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 NA H 541 NA -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 LYS H 224 O -REMARK 620 2 HOH H 497 O 92.4 -REMARK 620 3 ARG H 221A O 95.7 104.9 -REMARK 620 4 HOH H 464 O 165.3 87.9 98.3 -REMARK 620 5 HOH H 460 O 71.0 89.9 160.8 94.3 -REMARK 620 6 HOH H 403 O 90.7 167.3 87.1 86.0 79.4 -REMARK 620 N 1 2 3 4 5 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 NA H 542 NA -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 LYS H 169 O -REMARK 620 2 THR H 172 O 85.2 -REMARK 620 3 HOH H 518 O 84.9 166.5 -REMARK 620 4 HOH H 467 O 171.9 94.2 96.9 -REMARK 620 5 PHE H 204A O 97.8 93.6 78.7 90.3 -REMARK 620 6 HOH H 515 O 74.9 84.0 102.2 97.0 172.5 -REMARK 620 N 1 2 3 4 5 -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: CAT -REMARK 800 EVIDENCE_CODE: UNKNOWN -REMARK 800 SITE_DESCRIPTION: ACTIVE SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA H 541 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA H 542 -REMARK 800 SITE_IDENTIFIER: AC3 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ANS H 373 -REMARK 800 SITE_IDENTIFIER: AC4 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DAR H 350 -REMARK 800 SITE_IDENTIFIER: AC5 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 2EP H 375 -REMARK 800 SITE_IDENTIFIER: AC6 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE KTH H 377 -DBREF 1A4W L 1H 14N UNP P00734 THRB_HUMAN 328 363 -DBREF 1A4W H 16 247 UNP P00734 THRB_HUMAN 364 622 -DBREF 1A4W I 353 364 UNP P09945 ITH3_HIRME 60 71 -SEQADV 1A4W TYS I 363 UNP P09945 TYR 70 CONFLICT -SEQRES 1 L 36 THR PHE GLY SER GLY GLU ALA ASP CYS GLY LEU ARG PRO -SEQRES 2 L 36 LEU PHE GLU LYS LYS SER LEU GLU ASP LYS THR GLU ARG -SEQRES 3 L 36 GLU LEU LEU GLU SER TYR ILE ASP GLY ARG -SEQRES 1 H 259 ILE VAL GLU GLY SER ASP ALA GLU ILE GLY MET SER PRO -SEQRES 2 H 259 TRP GLN VAL MET LEU PHE ARG LYS SER PRO GLN GLU LEU -SEQRES 3 H 259 LEU CYS GLY ALA SER LEU ILE SER ASP ARG TRP VAL LEU -SEQRES 4 H 259 THR ALA ALA HIS CYS LEU LEU TYR PRO PRO TRP ASP LYS -SEQRES 5 H 259 ASN PHE THR GLU ASN ASP LEU LEU VAL ARG ILE GLY LYS -SEQRES 6 H 259 HIS SER ARG THR ARG TYR GLU ARG ASN ILE GLU LYS ILE -SEQRES 7 H 259 SER MET LEU GLU LYS ILE TYR ILE HIS PRO ARG TYR ASN -SEQRES 8 H 259 TRP ARG GLU ASN LEU ASP ARG ASP ILE ALA LEU MET LYS -SEQRES 9 H 259 LEU LYS LYS PRO VAL ALA PHE SER ASP TYR ILE HIS PRO -SEQRES 10 H 259 VAL CYS LEU PRO ASP ARG GLU THR ALA ALA SER LEU LEU -SEQRES 11 H 259 GLN ALA GLY TYR LYS GLY ARG VAL THR GLY TRP GLY ASN -SEQRES 12 H 259 LEU LYS GLU THR TRP THR ALA ASN VAL GLY LYS GLY GLN -SEQRES 13 H 259 PRO SER VAL LEU GLN VAL VAL ASN LEU PRO ILE VAL GLU -SEQRES 14 H 259 ARG PRO VAL CYS LYS ASP SER THR ARG ILE ARG ILE THR -SEQRES 15 H 259 ASP ASN MET PHE CYS ALA GLY TYR LYS PRO ASP GLU GLY -SEQRES 16 H 259 LYS ARG GLY ASP ALA CYS GLU GLY ASP SER GLY GLY PRO -SEQRES 17 H 259 PHE VAL MET LYS SER PRO PHE ASN ASN ARG TRP TYR GLN -SEQRES 18 H 259 MET GLY ILE VAL SER TRP GLY GLU GLY CYS ASP ARG ASP -SEQRES 19 H 259 GLY LYS TYR GLY PHE TYR THR HIS VAL PHE ARG LEU LYS -SEQRES 20 H 259 LYS TRP ILE GLN LYS VAL ILE ASP GLN PHE GLY GLU -SEQRES 1 I 12 ASN GLY ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU -MODRES 1A4W TYS I 363 TYR O-SULFO-L-TYROSINE -HET TYS I 363 16 -HET NA H 541 1 -HET NA H 542 1 -HET ANS H 373 16 -HET DAR H 350 11 -HET 2EP H 375 8 -HET KTH H 377 7 -HETNAM TYS O-SULFO-L-TYROSINE -HETNAM NA SODIUM ION -HETNAM ANS 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL -HETNAM 2 ANS ACID) -HETNAM DAR D-ARGININE -HETNAM 2EP 2-ETHYLPIPERIDINE -HETNAM KTH 2-KETOTHIAZOLE -HETSYN ANS DANSYL ACID -FORMUL 3 TYS C9 H11 N O6 S -FORMUL 4 NA 2(NA 1+) -FORMUL 6 ANS C12 H13 N O3 S -FORMUL 6 DAR C6 H15 N4 O2 1+ -FORMUL 6 2EP C7 H15 N -FORMUL 7 KTH C4 H3 N O S -FORMUL 8 HOH *157(H2 O) -HELIX 1 H1 ALA H 55 LEU H 60 1 6 -HELIX 2 H2 GLU H 164 SER H 171 1 8 -HELIX 3 H3 ASP H 125 LEU H 129C 1 8 -HELIX 4 H4 VAL H 231 GLN H 244 1 14 -SHEET 1 B1 7 PRO H 28 ARG H 35 0 -SHEET 2 B1 7 CYS H 42 ASP H 49 -1 -SHEET 3 B1 7 ARG H 50 ALA H 56 -1 -SHEET 4 B1 7 ARG H 101 LYS H 110 -1 -SHEET 5 B1 7 LYS H 81 PRO H 92 -1 -SHEET 6 B1 7 ASP H 63 GLY H 69 -1 -SHEET 7 B1 7 PRO H 28 ARG H 35 -1 -SHEET 1 B2 7 GLY H 133 TRP H 141 0 -SHEET 2 B2 7 LEU H 155 ILE H 162 -1 -SHEET 3 B2 7 ASN H 179 PRO H 186 -1 -SHEET 4 B2 7 GLY H 223 THR H 229 -1 -SHEET 5 B2 7 ILE H 212 GLU H 217 -1 -SHEET 6 B2 7 GLY H 193 MET H 201 -1 -SHEET 7 B2 7 GLY H 133 TRP H 141 -1 -SSBOND 1 CYS L 1 CYS H 122 1555 1555 1.97 -SSBOND 2 CYS H 42 CYS H 58 1555 1555 2.06 -SSBOND 3 CYS H 168 CYS H 182 1555 1555 2.06 -SSBOND 4 CYS H 191 CYS H 220 1555 1555 2.09 -LINK N TYS I 363 C GLU I 362 1555 1555 1.33 -LINK S ANS H 373 N DAR H 350 1555 1555 1.91 -LINK N1 2EP H 375 C DAR H 350 1555 1555 1.42 -LINK C2' 2EP H 375 C2' KTH H 377 1555 1555 1.48 -LINK NA NA H 541 O LYS H 224 1555 1555 2.32 -LINK NA NA H 542 O LYS H 169 1555 1555 2.36 -LINK NA NA H 542 O THR H 172 1555 1555 2.33 -LINK NA NA H 541 O HOH H 497 1555 1555 2.21 -LINK NA NA H 541 O ARG H 221A 1555 1555 2.44 -LINK NA NA H 541 O HOH H 464 1555 1555 2.37 -LINK NA NA H 541 O HOH H 460 1555 1555 2.41 -LINK NA NA H 542 O HOH H 518 1555 1555 2.54 -LINK NA NA H 542 O HOH H 467 1555 1555 2.39 -LINK NA NA H 542 O PHE H 204A 1555 4546 2.43 -LINK NA NA H 541 O HOH H 403 1555 1555 2.91 -LINK NA NA H 542 O HOH H 515 1555 1555 2.84 -CISPEP 1 SER H 36A PRO H 37 0 -2.26 -SITE 1 CAT 3 HIS H 57 ASP H 102 SER H 195 -SITE 1 AC1 6 ARG H 221A LYS H 224 HOH H 403 HOH H 460 -SITE 2 AC1 6 HOH H 464 HOH H 497 -SITE 1 AC2 6 LYS H 169 THR H 172 PHE H 204A HOH H 467 -SITE 2 AC2 6 HOH H 515 HOH H 518 -SITE 1 AC3 8 TYR H 60A GLU H 97A LEU H 99 TRP H 215 -SITE 2 AC3 8 GLY H 216 GLY H 219 DAR H 350 HOH H 448 -SITE 1 AC4 8 ASP H 189 ALA H 190 TRP H 215 GLY H 216 -SITE 2 AC4 8 GLY H 219 ANS H 373 2EP H 375 HOH H 471 -SITE 1 AC5 4 TRP H 60D LEU H 99 DAR H 350 KTH H 377 -SITE 1 AC6 5 HIS H 57 TRP H 60D LYS H 60F 2EP H 375 -SITE 2 AC6 5 HOH H 532 -CRYST1 71.470 72.000 73.390 90.00 101.13 90.00 C 1 2 1 4 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 0.013992 0.000000 0.002753 0.00000 -SCALE2 0.000000 0.013889 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.013887 0.00000 -ATOM 1 N ASP L 1A 11.095 19.341 20.188 1.00 30.14 N -ATOM 2 CA ASP L 1A 10.070 18.634 19.379 1.00 28.34 C -ATOM 3 C ASP L 1A 9.846 17.102 19.503 1.00 26.08 C -ATOM 4 O ASP L 1A 8.744 16.584 19.162 1.00 23.47 O -ATOM 5 CB ASP L 1A 10.255 18.858 17.853 1.00 37.55 C -ATOM 6 CG ASP L 1A 8.836 19.264 17.401 1.00 42.76 C -ATOM 7 OD1 ASP L 1A 8.058 19.292 18.400 1.00 44.03 O -ATOM 8 OD2 ASP L 1A 8.616 19.668 16.244 1.00 46.88 O -ATOM 9 N CYS L 1 10.835 16.440 20.113 1.00 23.72 N -ATOM 10 CA CYS L 1 10.769 14.970 20.210 1.00 20.89 C -ATOM 11 C CYS L 1 9.580 14.524 21.006 1.00 18.64 C -ATOM 12 O CYS L 1 9.110 15.220 21.912 1.00 19.03 O -ATOM 13 CB CYS L 1 12.117 14.468 20.771 1.00 21.77 C -ATOM 14 SG CYS L 1 12.247 14.885 22.538 1.00 20.55 S -ATOM 15 N GLY L 2 9.089 13.336 20.667 1.00 17.86 N -ATOM 16 CA GLY L 2 8.063 12.669 21.474 1.00 16.86 C -ATOM 17 C GLY L 2 6.676 13.272 21.469 1.00 17.77 C -ATOM 18 O GLY L 2 5.817 12.697 22.177 1.00 18.41 O -ATOM 19 N LEU L 3 6.402 14.258 20.605 1.00 17.18 N -ATOM 20 CA LEU L 3 5.020 14.820 20.506 1.00 17.45 C -ATOM 21 C LEU L 3 4.475 14.399 19.121 1.00 18.01 C -ATOM 22 O LEU L 3 5.050 14.872 18.152 1.00 17.71 O -ATOM 23 CB LEU L 3 5.153 16.362 20.592 1.00 18.74 C -ATOM 24 CG LEU L 3 5.596 16.876 21.959 1.00 19.10 C -ATOM 25 CD1 LEU L 3 5.857 18.363 21.889 1.00 24.28 C -ATOM 26 CD2 LEU L 3 4.508 16.554 22.974 1.00 18.04 C -ATOM 27 N ARG L 4 3.440 13.556 19.122 1.00 18.12 N -ATOM 28 CA ARG L 4 3.071 12.990 17.788 1.00 17.89 C -ATOM 29 C ARG L 4 2.134 13.988 17.068 1.00 17.92 C -ATOM 30 O ARG L 4 1.174 14.450 17.660 1.00 17.08 O -ATOM 31 CB ARG L 4 2.467 11.627 18.029 1.00 16.85 C -ATOM 32 CG ARG L 4 3.367 10.563 18.782 1.00 16.70 C -ATOM 33 CD ARG L 4 2.419 9.446 19.142 1.00 13.02 C -ATOM 34 NE ARG L 4 1.484 9.747 20.203 1.00 15.17 N -ATOM 35 CZ ARG L 4 0.562 8.963 20.751 1.00 13.48 C -ATOM 36 NH1 ARG L 4 0.443 7.685 20.335 1.00 17.03 N -ATOM 37 NH2 ARG L 4 -0.275 9.310 21.731 1.00 13.89 N -ATOM 38 N PRO L 5 2.364 14.134 15.770 1.00 18.55 N -ATOM 39 CA PRO L 5 1.539 15.061 14.927 1.00 19.37 C -ATOM 40 C PRO L 5 0.083 14.714 14.917 1.00 20.23 C -ATOM 41 O PRO L 5 -0.823 15.558 15.077 1.00 22.67 O -ATOM 42 CB PRO L 5 2.174 15.030 13.563 1.00 18.78 C -ATOM 43 CG PRO L 5 3.508 14.382 13.705 1.00 20.38 C -ATOM 44 CD PRO L 5 3.525 13.664 15.054 1.00 18.50 C -ATOM 45 N LEU L 6 -0.219 13.406 15.013 1.00 20.42 N -ATOM 46 CA LEU L 6 -1.617 12.995 14.949 1.00 19.27 C -ATOM 47 C LEU L 6 -2.214 12.854 16.308 1.00 19.13 C -ATOM 48 O LEU L 6 -3.421 12.472 16.320 1.00 18.99 O -ATOM 49 CB LEU L 6 -1.771 11.753 14.052 1.00 16.88 C -ATOM 50 CG LEU L 6 -1.303 11.960 12.608 1.00 20.87 C -ATOM 51 CD1 LEU L 6 -1.485 10.637 11.829 1.00 18.53 C -ATOM 52 CD2 LEU L 6 -2.202 13.079 12.077 1.00 23.77 C -ATOM 53 N PHE L 7 -1.435 13.030 17.371 1.00 18.39 N -ATOM 54 CA PHE L 7 -2.108 12.832 18.688 1.00 19.38 C -ATOM 55 C PHE L 7 -1.848 14.061 19.592 1.00 19.71 C -ATOM 56 O PHE L 7 -2.605 15.044 19.526 1.00 21.49 O -ATOM 57 CB PHE L 7 -1.595 11.495 19.287 1.00 19.65 C -ATOM 58 CG PHE L 7 -2.202 10.288 18.617 1.00 19.95 C -ATOM 59 CD1 PHE L 7 -3.522 9.915 18.973 1.00 19.04 C -ATOM 60 CD2 PHE L 7 -1.516 9.686 17.561 1.00 17.87 C -ATOM 61 CE1 PHE L 7 -4.109 8.849 18.260 1.00 17.67 C -ATOM 62 CE2 PHE L 7 -2.101 8.627 16.834 1.00 16.67 C -ATOM 63 CZ PHE L 7 -3.367 8.222 17.221 1.00 16.37 C -ATOM 64 N GLU L 8 -0.649 14.133 20.195 1.00 18.01 N -ATOM 65 CA GLU L 8 -0.356 15.200 21.140 1.00 16.75 C -ATOM 66 C GLU L 8 -0.499 16.586 20.484 1.00 17.59 C -ATOM 67 O GLU L 8 -1.173 17.450 21.090 1.00 17.01 O -ATOM 68 CB GLU L 8 1.118 15.113 21.640 1.00 17.14 C -ATOM 69 CG GLU L 8 1.159 14.046 22.770 1.00 15.66 C -ATOM 70 CD GLU L 8 1.202 12.632 22.265 1.00 15.06 C -ATOM 71 OE1 GLU L 8 1.728 12.484 21.134 1.00 17.16 O -ATOM 72 OE2 GLU L 8 0.840 11.717 23.033 1.00 19.50 O -ATOM 73 N LYS L 9 -0.044 16.610 19.273 1.00 18.40 N -ATOM 74 CA LYS L 9 -0.065 17.898 18.545 1.00 20.91 C -ATOM 75 C LYS L 9 -1.500 18.323 18.259 1.00 21.80 C -ATOM 76 O LYS L 9 -1.601 19.532 18.107 1.00 21.53 O -ATOM 77 CB LYS L 9 0.767 17.946 17.282 1.00 24.39 C -ATOM 78 CG LYS L 9 2.260 17.710 17.521 1.00 29.43 C -ATOM 79 CD LYS L 9 2.957 18.892 18.149 1.00 35.29 C -ATOM 80 CE LYS L 9 4.341 19.214 17.604 1.00 38.83 C -ATOM 81 NZ LYS L 9 4.724 20.558 18.197 1.00 41.45 N -ATOM 82 N LYS L 10 -2.499 17.479 18.376 1.00 21.52 N -ATOM 83 CA LYS L 10 -3.896 17.811 18.056 1.00 23.02 C -ATOM 84 C LYS L 10 -4.754 17.625 19.273 1.00 22.04 C -ATOM 85 O LYS L 10 -5.984 17.776 19.242 1.00 22.20 O -ATOM 86 CB LYS L 10 -4.470 16.864 16.955 1.00 24.25 C -ATOM 87 CG LYS L 10 -3.944 17.220 15.567 1.00 28.75 C -ATOM 88 CD LYS L 10 -3.842 16.029 14.632 1.00 33.60 C -ATOM 89 CE LYS L 10 -4.561 16.212 13.305 1.00 36.09 C -ATOM 90 NZ LYS L 10 -6.027 16.109 13.685 1.00 38.97 N -ATOM 91 N SER L 11 -4.027 17.312 20.349 1.00 22.33 N -ATOM 92 CA SER L 11 -4.667 16.965 21.604 1.00 22.03 C -ATOM 93 C SER L 11 -5.592 15.760 21.359 1.00 22.61 C -ATOM 94 O SER L 11 -6.532 15.724 22.174 1.00 24.34 O -ATOM 95 CB SER L 11 -5.458 17.901 22.510 1.00 25.62 C -ATOM 96 OG SER L 11 -5.424 19.222 22.024 1.00 35.68 O -ATOM 97 N LEU L 12 -5.210 14.737 20.606 1.00 21.81 N -ATOM 98 CA LEU L 12 -6.064 13.530 20.587 1.00 21.97 C -ATOM 99 C LEU L 12 -5.275 12.448 21.363 1.00 22.30 C -ATOM 100 O LEU L 12 -4.034 12.473 21.307 1.00 21.13 O -ATOM 101 CB LEU L 12 -6.209 13.152 19.106 1.00 19.02 C -ATOM 102 CG LEU L 12 -6.935 14.257 18.307 1.00 23.88 C -ATOM 103 CD1 LEU L 12 -6.996 13.845 16.861 1.00 23.12 C -ATOM 104 CD2 LEU L 12 -8.339 14.345 18.891 1.00 22.97 C -ATOM 105 N GLU L 13 -5.997 11.588 22.006 1.00 22.34 N -ATOM 106 CA GLU L 13 -5.303 10.472 22.709 1.00 24.14 C -ATOM 107 C GLU L 13 -5.380 9.199 21.913 1.00 23.81 C -ATOM 108 O GLU L 13 -6.470 8.998 21.302 1.00 25.39 O -ATOM 109 CB GLU L 13 -6.150 10.222 23.967 1.00 26.06 C -ATOM 110 CG GLU L 13 -5.978 11.320 24.994 1.00 36.69 C -ATOM 111 CD GLU L 13 -6.421 11.003 26.391 1.00 42.27 C -ATOM 112 OE1 GLU L 13 -6.995 9.892 26.528 1.00 46.63 O -ATOM 113 OE2 GLU L 13 -6.208 11.780 27.305 1.00 46.31 O -ATOM 114 N ASP L 14 -4.407 8.330 21.972 1.00 22.45 N -ATOM 115 CA ASP L 14 -4.526 6.972 21.347 1.00 21.73 C -ATOM 116 C ASP L 14 -5.408 6.153 22.306 1.00 20.49 C -ATOM 117 O ASP L 14 -5.818 6.528 23.416 1.00 19.90 O -ATOM 118 CB ASP L 14 -3.184 6.429 20.919 1.00 20.07 C -ATOM 119 CG ASP L 14 -2.229 6.045 22.052 1.00 17.98 C -ATOM 120 OD1 ASP L 14 -2.698 5.227 22.871 1.00 21.20 O -ATOM 121 OD2 ASP L 14 -1.046 6.434 21.950 1.00 20.58 O -ATOM 122 N LYS L 14A -5.864 5.031 21.805 1.00 21.06 N -ATOM 123 CA LYS L 14A -6.839 4.178 22.443 1.00 21.93 C -ATOM 124 C LYS L 14A -6.366 3.509 23.720 1.00 23.19 C -ATOM 125 O LYS L 14A -7.278 3.215 24.547 1.00 24.43 O -ATOM 126 CB LYS L 14A -7.402 3.138 21.440 1.00 26.01 C -ATOM 127 N THR L 14B -5.057 3.419 23.938 1.00 22.46 N -ATOM 128 CA THR L 14B -4.630 2.812 25.224 1.00 22.68 C -ATOM 129 C THR L 14B -3.665 3.661 26.015 1.00 22.44 C -ATOM 130 O THR L 14B -3.189 3.038 27.011 1.00 23.82 O -ATOM 131 CB THR L 14B -3.981 1.384 25.060 1.00 21.88 C -ATOM 132 OG1 THR L 14B -2.778 1.473 24.244 1.00 20.69 O -ATOM 133 CG2 THR L 14B -4.993 0.404 24.463 1.00 24.38 C -ATOM 134 N GLU L 14C -3.262 4.834 25.632 1.00 21.92 N -ATOM 135 CA GLU L 14C -2.281 5.549 26.481 1.00 22.63 C -ATOM 136 C GLU L 14C -2.784 5.838 27.885 1.00 24.40 C -ATOM 137 O GLU L 14C -1.920 5.853 28.810 1.00 24.63 O -ATOM 138 CB GLU L 14C -1.728 6.812 25.841 1.00 21.93 C -ATOM 139 CG GLU L 14C -2.887 7.759 25.512 1.00 20.89 C -ATOM 140 CD GLU L 14C -2.373 9.016 24.883 1.00 22.13 C -ATOM 141 OE1 GLU L 14C -2.275 9.186 23.690 1.00 23.94 O -ATOM 142 OE2 GLU L 14C -2.186 9.887 25.756 1.00 23.30 O -ATOM 143 N ARG L 14D -4.072 5.948 28.168 1.00 24.26 N -ATOM 144 CA ARG L 14D -4.641 6.122 29.488 1.00 25.80 C -ATOM 145 C ARG L 14D -4.150 5.006 30.459 1.00 25.99 C -ATOM 146 O ARG L 14D -4.045 5.215 31.686 1.00 25.42 O -ATOM 147 CB ARG L 14D -6.179 5.984 29.466 1.00 31.17 C -ATOM 148 N GLU L 14E -4.103 3.807 29.891 1.00 26.36 N -ATOM 149 CA GLU L 14E -3.631 2.631 30.658 1.00 26.18 C -ATOM 150 C GLU L 14E -2.226 2.906 31.156 1.00 25.41 C -ATOM 151 O GLU L 14E -1.892 2.470 32.261 1.00 26.18 O -ATOM 152 CB GLU L 14E -3.681 1.336 29.867 1.00 28.05 C -ATOM 153 CG GLU L 14E -3.070 0.083 30.459 1.00 33.29 C -ATOM 154 CD GLU L 14E -2.969 -1.192 29.667 1.00 34.03 C -ATOM 155 OE1 GLU L 14E -3.332 -1.074 28.479 1.00 34.13 O -ATOM 156 OE2 GLU L 14E -2.630 -2.275 30.156 1.00 35.06 O -ATOM 157 N LEU L 14F -1.348 3.524 30.386 1.00 24.50 N -ATOM 158 CA LEU L 14F -0.006 3.833 30.879 1.00 23.99 C -ATOM 159 C LEU L 14F -0.091 4.854 32.041 1.00 24.26 C -ATOM 160 O LEU L 14F 0.422 4.617 33.153 1.00 22.84 O -ATOM 161 CB LEU L 14F 0.781 4.375 29.700 1.00 21.42 C -ATOM 162 CG LEU L 14F 1.475 3.337 28.808 1.00 23.24 C -ATOM 163 CD1 LEU L 14F 0.628 2.112 28.674 1.00 22.76 C -ATOM 164 CD2 LEU L 14F 1.842 4.008 27.493 1.00 21.79 C -ATOM 165 N LEU L 14G -0.729 5.971 31.715 1.00 23.55 N -ATOM 166 CA LEU L 14G -0.851 7.043 32.726 1.00 23.72 C -ATOM 167 C LEU L 14G -1.432 6.536 34.017 1.00 23.57 C -ATOM 168 O LEU L 14G -1.013 6.946 35.128 1.00 23.28 O -ATOM 169 CB LEU L 14G -1.556 8.261 32.130 1.00 25.86 C -ATOM 170 CG LEU L 14G -0.858 9.125 31.096 1.00 28.42 C -ATOM 171 CD1 LEU L 14G 0.556 9.649 31.304 1.00 25.61 C -ATOM 172 CD2 LEU L 14G -0.874 8.435 29.722 1.00 31.26 C -ATOM 173 N GLU L 14H -2.424 5.694 33.935 1.00 24.11 N -ATOM 174 CA GLU L 14H -3.043 5.235 35.174 1.00 25.85 C -ATOM 175 C GLU L 14H -2.074 4.373 35.958 1.00 26.07 C -ATOM 176 O GLU L 14H -2.451 4.176 37.131 1.00 26.57 O -ATOM 177 CB GLU L 14H -4.323 4.401 35.011 1.00 27.91 C -ATOM 178 CG GLU L 14H -5.419 5.211 34.318 1.00 35.96 C -ATOM 179 CD GLU L 14H -6.718 4.479 34.136 1.00 39.04 C -ATOM 180 OE1 GLU L 14H -6.593 3.234 34.231 1.00 42.07 O -ATOM 181 OE2 GLU L 14H -7.734 5.163 33.995 1.00 43.42 O -ATOM 182 N SER L 14I -1.012 3.894 35.412 1.00 26.64 N -ATOM 183 CA SER L 14I -0.118 2.994 36.205 1.00 28.38 C -ATOM 184 C SER L 14I 0.953 3.784 36.970 1.00 29.21 C -ATOM 185 O SER L 14I 1.685 3.205 37.785 1.00 30.32 O -ATOM 186 CB SER L 14I 0.546 1.995 35.273 1.00 26.76 C -ATOM 187 OG SER L 14I 1.527 2.626 34.440 1.00 26.27 O -ATOM 188 N TYR L 14J 1.134 5.021 36.595 1.00 29.71 N -ATOM 189 CA TYR L 14J 2.164 5.937 37.054 1.00 31.38 C -ATOM 190 C TYR L 14J 1.671 6.599 38.322 1.00 34.51 C -ATOM 191 O TYR L 14J 1.146 7.709 38.192 1.00 35.41 O -ATOM 192 CB TYR L 14J 2.497 6.986 35.993 1.00 26.63 C -ATOM 193 CG TYR L 14J 2.996 6.541 34.653 1.00 27.22 C -ATOM 194 CD1 TYR L 14J 3.543 5.261 34.480 1.00 25.01 C -ATOM 195 CD2 TYR L 14J 2.930 7.388 33.520 1.00 26.08 C -ATOM 196 CE1 TYR L 14J 3.866 4.827 33.193 1.00 27.70 C -ATOM 197 CE2 TYR L 14J 3.412 6.992 32.279 1.00 24.84 C -ATOM 198 CZ TYR L 14J 3.856 5.702 32.087 1.00 27.55 C -ATOM 199 OH TYR L 14J 4.260 5.239 30.842 1.00 24.38 O -ATOM 200 N ILE L 14K 1.794 5.927 39.444 1.00 36.84 N -ATOM 201 CA ILE L 14K 1.345 6.506 40.743 1.00 39.69 C -ATOM 202 C ILE L 14K 0.014 5.755 41.031 1.00 41.10 C -ATOM 203 O ILE L 14K 0.229 4.528 41.260 1.00 43.24 O -TER 204 ILE L 14K -ATOM 205 N ILE H 16 5.006 -9.272 18.209 1.00 18.00 N -ATOM 206 CA ILE H 16 4.289 -8.948 19.452 1.00 18.46 C -ATOM 207 C ILE H 16 3.264 -10.040 19.684 1.00 21.62 C -ATOM 208 O ILE H 16 2.401 -10.298 18.813 1.00 22.36 O -ATOM 209 CB ILE H 16 3.649 -7.510 19.422 1.00 20.13 C -ATOM 210 CG1 ILE H 16 4.598 -6.342 19.038 1.00 16.87 C -ATOM 211 CG2 ILE H 16 2.823 -7.212 20.706 1.00 17.00 C -ATOM 212 CD1 ILE H 16 5.740 -6.135 20.083 1.00 17.05 C -ATOM 213 N VAL H 17 3.196 -10.623 20.870 1.00 22.67 N -ATOM 214 CA VAL H 17 2.251 -11.640 21.335 1.00 24.14 C -ATOM 215 C VAL H 17 1.213 -11.007 22.252 1.00 25.33 C -ATOM 216 O VAL H 17 1.390 -10.263 23.236 1.00 26.75 O -ATOM 217 CB VAL H 17 2.941 -12.886 21.985 1.00 22.11 C -ATOM 218 CG1 VAL H 17 1.887 -13.875 22.432 1.00 21.21 C -ATOM 219 CG2 VAL H 17 4.016 -13.485 21.128 1.00 18.47 C -ATOM 220 N GLU H 18 -0.064 -11.226 21.872 1.00 26.46 N -ATOM 221 CA GLU H 18 -1.235 -10.713 22.558 1.00 25.57 C -ATOM 222 C GLU H 18 -1.369 -9.196 22.525 1.00 25.17 C -ATOM 223 O GLU H 18 -1.849 -8.686 23.568 1.00 25.14 O -ATOM 224 CB GLU H 18 -1.302 -11.052 24.049 1.00 31.69 C -ATOM 225 CG GLU H 18 -1.463 -12.554 24.287 1.00 41.45 C -ATOM 226 CD GLU H 18 -2.891 -13.036 24.336 1.00 46.71 C -ATOM 227 OE1 GLU H 18 -3.557 -12.394 25.199 1.00 50.00 O -ATOM 228 OE2 GLU H 18 -3.297 -13.991 23.683 1.00 50.00 O -ATOM 229 N GLY H 19 -0.915 -8.626 21.436 1.00 25.00 N -ATOM 230 CA GLY H 19 -0.948 -7.187 21.202 1.00 24.77 C -ATOM 231 C GLY H 19 -2.218 -6.886 20.368 1.00 26.81 C -ATOM 232 O GLY H 19 -3.161 -7.694 20.297 1.00 26.00 O -ATOM 233 N SER H 20 -2.192 -5.666 19.818 1.00 26.26 N -ATOM 234 CA SER H 20 -3.365 -5.232 19.010 1.00 25.89 C -ATOM 235 C SER H 20 -2.775 -4.289 17.987 1.00 24.83 C -ATOM 236 O SER H 20 -1.557 -4.036 17.966 1.00 23.59 O -ATOM 237 CB SER H 20 -4.468 -4.736 19.894 1.00 29.18 C -ATOM 238 OG SER H 20 -4.155 -3.462 20.424 1.00 33.92 O -ATOM 239 N ASP H 21 -3.574 -4.169 16.917 1.00 24.63 N -ATOM 240 CA ASP H 21 -3.168 -3.338 15.769 1.00 24.12 C -ATOM 241 C ASP H 21 -2.978 -1.886 16.253 1.00 23.22 C -ATOM 242 O ASP H 21 -3.817 -1.383 17.002 1.00 23.09 O -ATOM 243 CB ASP H 21 -4.275 -3.390 14.720 1.00 26.77 C -ATOM 244 CG ASP H 21 -4.272 -4.691 13.931 1.00 31.32 C -ATOM 245 OD1 ASP H 21 -3.741 -5.715 14.319 1.00 29.36 O -ATOM 246 OD2 ASP H 21 -4.773 -4.559 12.770 1.00 38.88 O -ATOM 247 N ALA H 22 -1.871 -1.345 15.828 1.00 23.52 N -ATOM 248 CA ALA H 22 -1.634 0.072 16.185 1.00 23.33 C -ATOM 249 C ALA H 22 -2.573 0.943 15.325 1.00 24.24 C -ATOM 250 O ALA H 22 -3.031 0.541 14.231 1.00 24.34 O -ATOM 251 CB ALA H 22 -0.197 0.344 15.841 1.00 20.32 C -ATOM 252 N GLU H 23 -2.837 2.123 15.860 1.00 23.82 N -ATOM 253 CA GLU H 23 -3.546 3.191 15.143 1.00 22.74 C -ATOM 254 C GLU H 23 -2.580 3.859 14.204 1.00 21.74 C -ATOM 255 O GLU H 23 -1.354 3.888 14.437 1.00 20.95 O -ATOM 256 CB GLU H 23 -4.019 4.278 16.112 1.00 19.49 C -ATOM 257 CG GLU H 23 -5.054 3.759 17.092 1.00 24.35 C -ATOM 258 CD GLU H 23 -5.538 4.709 18.159 1.00 28.76 C -ATOM 259 OE1 GLU H 23 -6.316 5.609 17.843 1.00 31.88 O -ATOM 260 OE2 GLU H 23 -5.321 4.329 19.331 1.00 29.89 O -ATOM 261 N ILE H 24 -3.091 4.510 13.166 1.00 21.43 N -ATOM 262 CA ILE H 24 -2.175 5.193 12.217 1.00 20.74 C -ATOM 263 C ILE H 24 -1.479 6.323 13.016 1.00 20.50 C -ATOM 264 O ILE H 24 -2.195 6.988 13.751 1.00 20.47 O -ATOM 265 CB ILE H 24 -2.992 5.702 10.974 1.00 19.53 C -ATOM 266 CG1 ILE H 24 -3.661 4.500 10.253 1.00 21.84 C -ATOM 267 CG2 ILE H 24 -2.017 6.422 9.995 1.00 19.12 C -ATOM 268 CD1 ILE H 24 -2.567 3.569 9.692 1.00 24.10 C -ATOM 269 N GLY H 25 -0.222 6.519 12.778 1.00 20.93 N -ATOM 270 CA GLY H 25 0.658 7.487 13.409 1.00 21.31 C -ATOM 271 C GLY H 25 0.824 7.287 14.920 1.00 20.95 C -ATOM 272 O GLY H 25 1.237 8.274 15.562 1.00 20.35 O -ATOM 273 N MET H 26 0.477 6.146 15.493 1.00 20.22 N -ATOM 274 CA MET H 26 0.601 5.994 16.965 1.00 19.41 C -ATOM 275 C MET H 26 2.089 5.890 17.386 1.00 18.39 C -ATOM 276 O MET H 26 2.394 6.251 18.531 1.00 19.23 O -ATOM 277 CB MET H 26 -0.143 4.752 17.354 1.00 20.64 C -ATOM 278 CG MET H 26 -0.656 4.594 18.745 1.00 23.70 C -ATOM 279 SD MET H 26 -0.862 2.768 18.926 1.00 28.83 S -ATOM 280 CE MET H 26 -1.963 2.717 20.331 1.00 26.00 C -ATOM 281 N SER H 27 2.933 5.415 16.530 1.00 16.27 N -ATOM 282 CA SER H 27 4.368 5.208 16.862 1.00 17.12 C -ATOM 283 C SER H 27 5.246 5.619 15.738 1.00 14.64 C -ATOM 284 O SER H 27 5.898 4.930 14.957 1.00 14.70 O -ATOM 285 CB SER H 27 4.464 3.761 17.397 1.00 20.90 C -ATOM 286 OG SER H 27 5.868 3.496 17.419 1.00 24.38 O -ATOM 287 N PRO H 28 5.380 6.961 15.577 1.00 15.97 N -ATOM 288 CA PRO H 28 5.996 7.545 14.389 1.00 16.31 C -ATOM 289 C PRO H 28 7.486 7.457 14.331 1.00 16.18 C -ATOM 290 O PRO H 28 8.106 7.817 13.320 1.00 14.94 O -ATOM 291 CB PRO H 28 5.573 9.028 14.357 1.00 16.23 C -ATOM 292 CG PRO H 28 5.164 9.263 15.766 1.00 15.06 C -ATOM 293 CD PRO H 28 4.752 7.993 16.418 1.00 13.91 C -ATOM 294 N TRP H 29 8.049 7.046 15.479 1.00 15.48 N -ATOM 295 CA TRP H 29 9.529 6.822 15.480 1.00 14.57 C -ATOM 296 C TRP H 29 9.834 5.360 15.196 1.00 15.24 C -ATOM 297 O TRP H 29 11.002 5.014 15.053 1.00 15.39 O -ATOM 298 CB TRP H 29 10.044 7.135 16.922 1.00 15.71 C -ATOM 299 CG TRP H 29 9.029 6.737 17.951 1.00 13.03 C -ATOM 300 CD1 TRP H 29 8.765 5.476 18.449 1.00 13.65 C -ATOM 301 CD2 TRP H 29 8.067 7.597 18.558 1.00 12.63 C -ATOM 302 NE1 TRP H 29 7.741 5.512 19.328 1.00 12.17 N -ATOM 303 CE2 TRP H 29 7.305 6.800 19.421 1.00 12.32 C -ATOM 304 CE3 TRP H 29 7.861 8.969 18.511 1.00 14.75 C -ATOM 305 CZ2 TRP H 29 6.252 7.333 20.172 1.00 15.46 C -ATOM 306 CZ3 TRP H 29 6.857 9.524 19.290 1.00 14.88 C -ATOM 307 CH2 TRP H 29 6.113 8.700 20.109 1.00 15.02 C -ATOM 308 N GLN H 30 8.838 4.531 14.959 1.00 17.28 N -ATOM 309 CA GLN H 30 9.059 3.110 14.641 1.00 17.51 C -ATOM 310 C GLN H 30 9.750 2.951 13.310 1.00 19.03 C -ATOM 311 O GLN H 30 9.366 3.598 12.280 1.00 20.01 O -ATOM 312 CB GLN H 30 7.790 2.299 14.699 1.00 19.34 C -ATOM 313 CG GLN H 30 7.929 0.823 14.436 1.00 17.15 C -ATOM 314 CD GLN H 30 8.558 0.046 15.569 1.00 17.30 C -ATOM 315 OE1 GLN H 30 8.098 0.299 16.654 1.00 20.69 O -ATOM 316 NE2 GLN H 30 9.402 -0.904 15.198 1.00 21.27 N -ATOM 317 N VAL H 31 10.838 2.190 13.332 1.00 16.74 N -ATOM 318 CA VAL H 31 11.625 1.974 12.153 1.00 17.96 C -ATOM 319 C VAL H 31 11.613 0.492 11.772 1.00 19.31 C -ATOM 320 O VAL H 31 11.628 -0.360 12.711 1.00 19.16 O -ATOM 321 CB VAL H 31 13.047 2.568 12.238 1.00 17.69 C -ATOM 322 CG1 VAL H 31 13.856 2.179 10.994 1.00 17.76 C -ATOM 323 CG2 VAL H 31 13.089 4.053 12.490 1.00 15.35 C -ATOM 324 N MET H 32 11.777 0.162 10.493 1.00 18.34 N -ATOM 325 CA MET H 32 11.830 -1.295 10.156 1.00 19.33 C -ATOM 326 C MET H 32 13.214 -1.480 9.544 1.00 19.74 C -ATOM 327 O MET H 32 13.590 -0.693 8.659 1.00 18.74 O -ATOM 328 CB MET H 32 10.746 -1.763 9.147 1.00 21.17 C -ATOM 329 CG MET H 32 11.035 -3.165 8.612 1.00 20.84 C -ATOM 330 SD MET H 32 9.755 -3.574 7.310 1.00 22.36 S -ATOM 331 CE MET H 32 8.275 -3.732 8.209 1.00 17.40 C -ATOM 332 N LEU H 33 13.971 -2.440 10.065 1.00 19.91 N -ATOM 333 CA LEU H 33 15.236 -2.888 9.516 1.00 22.36 C -ATOM 334 C LEU H 33 14.889 -3.997 8.495 1.00 22.11 C -ATOM 335 O LEU H 33 14.346 -5.055 8.835 1.00 23.62 O -ATOM 336 CB LEU H 33 16.173 -3.438 10.651 1.00 24.80 C -ATOM 337 CG LEU H 33 17.397 -2.585 10.944 1.00 25.86 C -ATOM 338 CD1 LEU H 33 16.966 -1.179 11.274 1.00 25.67 C -ATOM 339 CD2 LEU H 33 18.120 -3.179 12.150 1.00 23.89 C -ATOM 340 N PHE H 34 15.306 -3.741 7.298 1.00 23.99 N -ATOM 341 CA PHE H 34 14.858 -4.571 6.127 1.00 26.50 C -ATOM 342 C PHE H 34 16.054 -5.035 5.318 1.00 28.00 C -ATOM 343 O PHE H 34 16.911 -4.248 4.865 1.00 28.42 O -ATOM 344 CB PHE H 34 13.897 -3.679 5.287 1.00 28.04 C -ATOM 345 CG PHE H 34 13.153 -4.439 4.209 1.00 27.44 C -ATOM 346 CD1 PHE H 34 12.124 -5.321 4.595 1.00 28.85 C -ATOM 347 CD2 PHE H 34 13.656 -4.438 2.907 1.00 26.68 C -ATOM 348 CE1 PHE H 34 11.480 -6.100 3.643 1.00 28.99 C -ATOM 349 CE2 PHE H 34 13.019 -5.231 1.934 1.00 28.27 C -ATOM 350 CZ PHE H 34 11.948 -6.041 2.331 1.00 27.55 C -ATOM 351 N ARG H 35 16.132 -6.363 5.206 1.00 29.69 N -ATOM 352 CA ARG H 35 17.246 -6.951 4.425 1.00 32.22 C -ATOM 353 C ARG H 35 17.046 -6.751 2.929 1.00 34.40 C -ATOM 354 O ARG H 35 15.909 -6.820 2.402 1.00 34.90 O -ATOM 355 CB ARG H 35 17.325 -8.429 4.813 1.00 32.94 C -ATOM 356 CG ARG H 35 18.671 -8.974 4.354 1.00 35.87 C -ATOM 357 CD ARG H 35 18.821 -10.362 4.882 1.00 38.70 C -ATOM 358 NE ARG H 35 20.147 -10.783 4.379 1.00 42.64 N -ATOM 359 CZ ARG H 35 20.538 -12.024 4.740 1.00 43.83 C -ATOM 360 NH1 ARG H 35 19.755 -12.779 5.516 1.00 41.38 N -ATOM 361 NH2 ARG H 35 21.753 -12.318 4.276 1.00 45.03 N -ATOM 362 N LYS H 36 18.113 -6.415 2.214 1.00 36.59 N -ATOM 363 CA LYS H 36 18.016 -6.175 0.756 1.00 38.46 C -ATOM 364 C LYS H 36 17.787 -7.471 -0.021 1.00 39.84 C -ATOM 365 O LYS H 36 16.886 -7.496 -0.881 1.00 41.46 O -ATOM 366 CB LYS H 36 19.214 -5.526 0.144 1.00 36.13 C -ATOM 367 CG LYS H 36 19.455 -4.069 0.535 1.00 36.91 C -ATOM 368 CD LYS H 36 20.724 -3.628 -0.182 1.00 37.63 C -ATOM 369 CE LYS H 36 20.894 -2.136 -0.127 1.00 40.58 C -ATOM 370 NZ LYS H 36 22.321 -1.755 -0.335 1.00 42.58 N -ATOM 371 N SER H 36A 18.449 -8.537 0.358 1.00 40.23 N -ATOM 372 CA SER H 36A 18.338 -9.784 -0.413 1.00 41.21 C -ATOM 373 C SER H 36A 18.842 -10.957 0.405 1.00 41.02 C -ATOM 374 O SER H 36A 20.065 -10.944 0.652 1.00 41.56 O -ATOM 375 CB SER H 36A 19.280 -9.642 -1.630 1.00 43.76 C -ATOM 376 OG SER H 36A 18.866 -10.532 -2.670 1.00 48.38 O -ATOM 377 N PRO H 37 18.000 -11.921 0.721 1.00 41.12 N -ATOM 378 CA PRO H 37 16.581 -11.965 0.399 1.00 40.74 C -ATOM 379 C PRO H 37 15.901 -10.756 1.039 1.00 40.99 C -ATOM 380 O PRO H 37 16.391 -10.347 2.106 1.00 41.62 O -ATOM 381 CB PRO H 37 16.058 -13.217 1.096 1.00 41.20 C -ATOM 382 CG PRO H 37 17.164 -13.785 1.921 1.00 41.23 C -ATOM 383 CD PRO H 37 18.438 -13.046 1.549 1.00 41.39 C -ATOM 384 N GLN H 38 14.739 -10.399 0.566 1.00 40.36 N -ATOM 385 CA GLN H 38 13.980 -9.281 1.159 1.00 39.71 C -ATOM 386 C GLN H 38 13.354 -9.835 2.413 1.00 38.89 C -ATOM 387 O GLN H 38 12.957 -11.019 2.380 1.00 39.57 O -ATOM 388 CB GLN H 38 12.963 -8.714 0.157 1.00 42.47 C -ATOM 389 CG GLN H 38 13.756 -8.069 -0.954 1.00 45.27 C -ATOM 390 CD GLN H 38 13.197 -6.911 -1.709 1.00 47.96 C -ATOM 391 OE1 GLN H 38 11.991 -6.686 -1.839 1.00 50.00 O -ATOM 392 NE2 GLN H 38 14.167 -6.186 -2.280 1.00 49.60 N -ATOM 393 N GLU H 39 13.496 -9.154 3.532 1.00 36.68 N -ATOM 394 CA GLU H 39 12.870 -9.726 4.756 1.00 34.95 C -ATOM 395 C GLU H 39 13.035 -8.704 5.898 1.00 32.15 C -ATOM 396 O GLU H 39 13.972 -7.900 5.781 1.00 30.37 O -ATOM 397 CB GLU H 39 13.447 -11.049 5.207 1.00 37.70 C -ATOM 398 CG GLU H 39 14.956 -11.147 5.293 1.00 42.87 C -ATOM 399 CD GLU H 39 15.514 -12.507 5.569 1.00 48.14 C -ATOM 400 OE1 GLU H 39 14.690 -13.443 5.675 1.00 50.00 O -ATOM 401 OE2 GLU H 39 16.712 -12.751 5.645 1.00 50.00 O -ATOM 402 N LEU H 40 12.111 -8.792 6.838 1.00 30.57 N -ATOM 403 CA LEU H 40 12.188 -7.859 7.969 1.00 29.13 C -ATOM 404 C LEU H 40 13.332 -8.389 8.864 1.00 29.71 C -ATOM 405 O LEU H 40 13.295 -9.589 9.187 1.00 29.88 O -ATOM 406 CB LEU H 40 10.857 -7.843 8.688 1.00 26.80 C -ATOM 407 CG LEU H 40 10.955 -7.485 10.170 1.00 28.52 C -ATOM 408 CD1 LEU H 40 11.108 -5.995 10.413 1.00 29.36 C -ATOM 409 CD2 LEU H 40 9.793 -8.088 10.940 1.00 28.12 C -ATOM 410 N LEU H 41 14.318 -7.547 9.151 1.00 28.75 N -ATOM 411 CA LEU H 41 15.434 -7.946 10.037 1.00 26.25 C -ATOM 412 C LEU H 41 15.101 -7.684 11.507 1.00 25.73 C -ATOM 413 O LEU H 41 15.315 -8.573 12.364 1.00 26.99 O -ATOM 414 CB LEU H 41 16.656 -7.147 9.591 1.00 28.79 C -ATOM 415 CG LEU H 41 17.653 -7.903 8.764 1.00 33.93 C -ATOM 416 CD1 LEU H 41 17.043 -9.161 8.127 1.00 33.56 C -ATOM 417 CD2 LEU H 41 18.228 -6.980 7.685 1.00 34.08 C -ATOM 418 N CYS H 42 14.505 -6.556 11.854 1.00 22.26 N -ATOM 419 CA CYS H 42 14.291 -6.157 13.258 1.00 19.84 C -ATOM 420 C CYS H 42 13.519 -4.833 13.217 1.00 18.48 C -ATOM 421 O CYS H 42 13.524 -4.222 12.129 1.00 18.86 O -ATOM 422 CB CYS H 42 15.710 -5.792 13.767 1.00 17.14 C -ATOM 423 SG CYS H 42 16.580 -7.094 14.674 1.00 18.77 S -ATOM 424 N GLY H 43 13.139 -4.424 14.418 1.00 17.48 N -ATOM 425 CA GLY H 43 12.582 -3.058 14.648 1.00 15.52 C -ATOM 426 C GLY H 43 13.804 -2.153 14.920 1.00 16.79 C -ATOM 427 O GLY H 43 14.965 -2.607 15.198 1.00 16.83 O -ATOM 428 N ALA H 44 13.456 -0.897 15.122 1.00 15.56 N -ATOM 429 CA ALA H 44 14.448 0.147 15.456 1.00 15.65 C -ATOM 430 C ALA H 44 13.648 1.393 15.828 1.00 15.49 C -ATOM 431 O ALA H 44 12.389 1.273 15.712 1.00 16.57 O -ATOM 432 CB ALA H 44 15.436 0.291 14.339 1.00 12.77 C -ATOM 433 N SER H 45 14.348 2.486 16.082 1.00 15.03 N -ATOM 434 CA SER H 45 13.691 3.747 16.425 1.00 16.24 C -ATOM 435 C SER H 45 14.420 4.994 15.935 1.00 16.84 C -ATOM 436 O SER H 45 15.616 5.060 15.743 1.00 18.12 O -ATOM 437 CB SER H 45 13.272 3.925 17.881 1.00 18.08 C -ATOM 438 OG SER H 45 14.529 4.146 18.543 1.00 24.46 O -ATOM 439 N LEU H 46 13.628 6.034 15.630 1.00 16.51 N -ATOM 440 CA LEU H 46 14.167 7.260 15.045 1.00 17.23 C -ATOM 441 C LEU H 46 14.341 8.260 16.174 1.00 16.52 C -ATOM 442 O LEU H 46 13.321 8.621 16.798 1.00 16.69 O -ATOM 443 CB LEU H 46 13.121 7.786 14.018 1.00 19.25 C -ATOM 444 CG LEU H 46 13.662 9.013 13.261 1.00 20.25 C -ATOM 445 CD1 LEU H 46 14.748 8.574 12.323 1.00 20.05 C -ATOM 446 CD2 LEU H 46 12.536 9.729 12.494 1.00 21.48 C -ATOM 447 N ILE H 47 15.586 8.638 16.492 1.00 17.90 N -ATOM 448 CA ILE H 47 15.769 9.610 17.600 1.00 18.60 C -ATOM 449 C ILE H 47 16.187 10.986 17.050 1.00 21.47 C -ATOM 450 O ILE H 47 16.057 11.952 17.788 1.00 21.59 O -ATOM 451 CB ILE H 47 16.815 9.044 18.664 1.00 20.50 C -ATOM 452 CG1 ILE H 47 18.161 8.886 17.981 1.00 20.29 C -ATOM 453 CG2 ILE H 47 16.224 7.705 19.240 1.00 18.48 C -ATOM 454 CD1 ILE H 47 19.438 8.357 18.681 1.00 22.54 C -ATOM 455 N SER H 48 16.476 11.080 15.763 1.00 22.71 N -ATOM 456 CA SER H 48 16.740 12.392 15.126 1.00 24.52 C -ATOM 457 C SER H 48 16.489 12.224 13.626 1.00 25.99 C -ATOM 458 O SER H 48 16.110 11.102 13.199 1.00 25.53 O -ATOM 459 CB SER H 48 18.119 12.887 15.461 1.00 21.79 C -ATOM 460 OG SER H 48 19.015 12.662 14.395 1.00 28.25 O -ATOM 461 N ASP H 49 16.772 13.282 12.829 1.00 26.69 N -ATOM 462 CA ASP H 49 16.527 13.124 11.377 1.00 27.60 C -ATOM 463 C ASP H 49 17.542 12.278 10.649 1.00 27.19 C -ATOM 464 O ASP H 49 17.349 11.784 9.511 1.00 27.46 O -ATOM 465 CB ASP H 49 16.364 14.542 10.786 1.00 33.35 C -ATOM 466 CG ASP H 49 17.664 15.282 10.895 1.00 33.02 C -ATOM 467 OD1 ASP H 49 18.370 15.035 11.894 1.00 41.99 O -ATOM 468 OD2 ASP H 49 18.082 16.050 10.043 1.00 38.10 O -ATOM 469 N ARG H 50 18.647 12.004 11.317 1.00 26.18 N -ATOM 470 CA ARG H 50 19.777 11.240 10.786 1.00 25.40 C -ATOM 471 C ARG H 50 20.224 10.007 11.600 1.00 24.43 C -ATOM 472 O ARG H 50 21.215 9.392 11.187 1.00 22.77 O -ATOM 473 CB ARG H 50 20.987 12.216 11.008 1.00 31.65 C -ATOM 474 CG ARG H 50 21.553 12.767 9.727 1.00 38.26 C -ATOM 475 CD ARG H 50 22.011 11.655 8.821 1.00 42.32 C -ATOM 476 NE ARG H 50 22.960 12.237 7.877 1.00 46.40 N -ATOM 477 CZ ARG H 50 24.031 11.697 7.323 1.00 48.36 C -ATOM 478 NH1 ARG H 50 24.428 10.440 7.495 1.00 50.00 N -ATOM 479 NH2 ARG H 50 24.854 12.526 6.667 1.00 50.00 N -ATOM 480 N TRP H 51 19.653 9.755 12.747 1.00 23.76 N -ATOM 481 CA TRP H 51 20.099 8.648 13.643 1.00 21.81 C -ATOM 482 C TRP H 51 18.966 7.695 13.991 1.00 20.37 C -ATOM 483 O TRP H 51 17.910 8.122 14.443 1.00 17.92 O -ATOM 484 CB TRP H 51 20.728 9.196 14.941 1.00 22.04 C -ATOM 485 CG TRP H 51 22.075 9.800 14.769 1.00 24.98 C -ATOM 486 CD1 TRP H 51 22.259 11.161 14.555 1.00 26.73 C -ATOM 487 CD2 TRP H 51 23.352 9.206 14.572 1.00 25.82 C -ATOM 488 NE1 TRP H 51 23.566 11.402 14.232 1.00 26.90 N -ATOM 489 CE2 TRP H 51 24.289 10.255 14.342 1.00 26.54 C -ATOM 490 CE3 TRP H 51 23.831 7.906 14.693 1.00 26.67 C -ATOM 491 CZ2 TRP H 51 25.669 10.080 14.278 1.00 26.08 C -ATOM 492 CZ3 TRP H 51 25.195 7.705 14.504 1.00 28.24 C -ATOM 493 CH2 TRP H 51 26.109 8.747 14.313 1.00 28.71 C -ATOM 494 N VAL H 52 19.347 6.397 13.937 1.00 20.44 N -ATOM 495 CA VAL H 52 18.437 5.304 14.254 1.00 20.42 C -ATOM 496 C VAL H 52 18.959 4.423 15.394 1.00 20.78 C -ATOM 497 O VAL H 52 20.092 3.969 15.337 1.00 22.05 O -ATOM 498 CB VAL H 52 18.152 4.484 12.954 1.00 20.35 C -ATOM 499 CG1 VAL H 52 17.338 3.237 13.308 1.00 20.36 C -ATOM 500 CG2 VAL H 52 17.296 5.334 11.966 1.00 23.61 C -ATOM 501 N LEU H 53 18.165 4.114 16.390 1.00 20.77 N -ATOM 502 CA LEU H 53 18.652 3.279 17.532 1.00 19.40 C -ATOM 503 C LEU H 53 18.099 1.870 17.380 1.00 18.81 C -ATOM 504 O LEU H 53 16.916 1.748 17.034 1.00 18.11 O -ATOM 505 CB LEU H 53 18.117 3.957 18.785 1.00 17.99 C -ATOM 506 CG LEU H 53 18.586 3.372 20.118 1.00 20.69 C -ATOM 507 CD1 LEU H 53 20.099 3.486 20.228 1.00 17.27 C -ATOM 508 CD2 LEU H 53 17.920 4.273 21.160 1.00 18.56 C -ATOM 509 N THR H 54 18.911 0.867 17.681 1.00 17.28 N -ATOM 510 CA THR H 54 18.416 -0.522 17.625 1.00 17.59 C -ATOM 511 C THR H 54 19.298 -1.366 18.550 1.00 18.16 C -ATOM 512 O THR H 54 20.161 -0.795 19.243 1.00 17.74 O -ATOM 513 CB THR H 54 18.533 -1.028 16.116 1.00 17.17 C -ATOM 514 OG1 THR H 54 17.676 -2.192 16.012 1.00 17.60 O -ATOM 515 CG2 THR H 54 19.921 -1.292 15.540 1.00 20.69 C -ATOM 516 N ALA H 55 19.031 -2.626 18.564 1.00 18.32 N -ATOM 517 CA ALA H 55 19.768 -3.647 19.363 1.00 17.96 C -ATOM 518 C ALA H 55 20.908 -4.155 18.569 1.00 18.13 C -ATOM 519 O ALA H 55 20.924 -4.325 17.307 1.00 18.81 O -ATOM 520 CB ALA H 55 18.765 -4.711 19.828 1.00 16.64 C -ATOM 521 N ALA H 56 22.089 -4.174 19.248 1.00 18.21 N -ATOM 522 CA ALA H 56 23.286 -4.708 18.542 1.00 17.97 C -ATOM 523 C ALA H 56 23.073 -6.114 17.980 1.00 15.89 C -ATOM 524 O ALA H 56 23.730 -6.521 16.979 1.00 17.41 O -ATOM 525 CB ALA H 56 24.521 -4.631 19.483 1.00 19.87 C -ATOM 526 N HIS H 57 22.315 -6.938 18.666 1.00 16.60 N -ATOM 527 CA HIS H 57 22.144 -8.330 18.204 1.00 18.56 C -ATOM 528 C HIS H 57 21.362 -8.452 16.877 1.00 20.21 C -ATOM 529 O HIS H 57 21.313 -9.544 16.287 1.00 19.81 O -ATOM 530 CB HIS H 57 21.493 -9.273 19.243 1.00 16.75 C -ATOM 531 CG HIS H 57 20.015 -9.106 19.397 1.00 19.81 C -ATOM 532 ND1 HIS H 57 19.370 -8.408 20.380 1.00 15.09 N -ATOM 533 CD2 HIS H 57 19.013 -9.566 18.543 1.00 18.23 C -ATOM 534 CE1 HIS H 57 18.046 -8.488 20.194 1.00 20.84 C -ATOM 535 NE2 HIS H 57 17.829 -9.193 19.088 1.00 20.06 N -ATOM 536 N CYS H 58 20.778 -7.339 16.446 1.00 21.35 N -ATOM 537 CA CYS H 58 20.070 -7.265 15.140 1.00 22.36 C -ATOM 538 C CYS H 58 21.086 -7.265 14.022 1.00 23.91 C -ATOM 539 O CYS H 58 20.880 -7.806 12.925 1.00 24.88 O -ATOM 540 CB CYS H 58 19.285 -5.933 15.067 1.00 18.43 C -ATOM 541 SG CYS H 58 17.769 -6.025 15.970 1.00 18.50 S -ATOM 542 N LEU H 59 22.256 -6.710 14.378 1.00 23.34 N -ATOM 543 CA LEU H 59 23.373 -6.606 13.470 1.00 23.36 C -ATOM 544 C LEU H 59 24.450 -7.659 13.605 1.00 23.14 C -ATOM 545 O LEU H 59 24.970 -8.111 12.592 1.00 23.61 O -ATOM 546 CB LEU H 59 23.945 -5.184 13.669 1.00 25.81 C -ATOM 547 CG LEU H 59 23.448 -4.065 12.795 1.00 29.28 C -ATOM 548 CD1 LEU H 59 22.057 -4.292 12.163 1.00 30.50 C -ATOM 549 CD2 LEU H 59 23.441 -2.793 13.625 1.00 30.55 C -ATOM 550 N LEU H 60 24.813 -7.994 14.824 1.00 23.49 N -ATOM 551 CA LEU H 60 25.975 -8.856 15.112 1.00 22.56 C -ATOM 552 C LEU H 60 25.640 -9.878 16.168 1.00 22.70 C -ATOM 553 O LEU H 60 25.215 -9.545 17.305 1.00 23.26 O -ATOM 554 CB LEU H 60 27.153 -7.935 15.495 1.00 25.32 C -ATOM 555 CG LEU H 60 28.434 -8.664 15.934 1.00 26.29 C -ATOM 556 CD1 LEU H 60 29.183 -9.208 14.715 1.00 26.53 C -ATOM 557 CD2 LEU H 60 29.315 -7.743 16.758 1.00 25.15 C -ATOM 558 N TYR H 60A 25.730 -11.125 15.721 1.00 22.81 N -ATOM 559 CA TYR H 60A 25.442 -12.288 16.592 1.00 23.06 C -ATOM 560 C TYR H 60A 26.225 -13.484 16.018 1.00 23.11 C -ATOM 561 O TYR H 60A 25.687 -14.404 15.423 1.00 22.30 O -ATOM 562 CB TYR H 60A 23.957 -12.567 16.769 1.00 24.44 C -ATOM 563 CG TYR H 60A 23.671 -13.512 17.908 1.00 26.24 C -ATOM 564 CD1 TYR H 60A 24.119 -13.113 19.175 1.00 26.53 C -ATOM 565 CD2 TYR H 60A 23.162 -14.810 17.753 1.00 24.85 C -ATOM 566 CE1 TYR H 60A 23.930 -13.964 20.276 1.00 27.61 C -ATOM 567 CE2 TYR H 60A 23.010 -15.665 18.840 1.00 27.80 C -ATOM 568 CZ TYR H 60A 23.436 -15.248 20.105 1.00 28.70 C -ATOM 569 OH TYR H 60A 23.374 -16.099 21.170 1.00 28.28 O -ATOM 570 N PRO H 60B 27.528 -13.485 16.360 1.00 23.70 N -ATOM 571 CA PRO H 60B 28.442 -14.512 15.839 1.00 24.70 C -ATOM 572 C PRO H 60B 28.050 -15.960 15.962 1.00 24.74 C -ATOM 573 O PRO H 60B 28.264 -16.795 15.042 1.00 26.22 O -ATOM 574 CB PRO H 60B 29.840 -14.073 16.355 1.00 24.94 C -ATOM 575 CG PRO H 60B 29.695 -12.664 16.861 1.00 24.13 C -ATOM 576 CD PRO H 60B 28.211 -12.401 17.075 1.00 22.89 C -ATOM 577 N PRO H 60C 27.460 -16.362 17.067 1.00 25.13 N -ATOM 578 CA PRO H 60C 27.035 -17.727 17.278 1.00 26.17 C -ATOM 579 C PRO H 60C 26.123 -18.224 16.162 1.00 28.45 C -ATOM 580 O PRO H 60C 26.083 -19.457 15.983 1.00 29.25 O -ATOM 581 CB PRO H 60C 26.419 -17.763 18.662 1.00 25.01 C -ATOM 582 CG PRO H 60C 26.728 -16.458 19.322 1.00 25.19 C -ATOM 583 CD PRO H 60C 27.226 -15.518 18.269 1.00 25.01 C -ATOM 584 N TRP H 60D 25.302 -17.341 15.619 1.00 28.18 N -ATOM 585 CA TRP H 60D 24.366 -17.711 14.547 1.00 28.91 C -ATOM 586 C TRP H 60D 24.984 -17.261 13.237 1.00 30.56 C -ATOM 587 O TRP H 60D 24.276 -17.107 12.217 1.00 32.58 O -ATOM 588 CB TRP H 60D 22.987 -17.183 14.832 1.00 26.50 C -ATOM 589 CG TRP H 60D 22.135 -17.817 15.872 1.00 28.04 C -ATOM 590 CD1 TRP H 60D 22.432 -18.771 16.801 1.00 27.06 C -ATOM 591 CD2 TRP H 60D 20.729 -17.510 16.123 1.00 29.74 C -ATOM 592 NE1 TRP H 60D 21.366 -19.041 17.645 1.00 29.84 N -ATOM 593 CE2 TRP H 60D 20.293 -18.305 17.205 1.00 29.57 C -ATOM 594 CE3 TRP H 60D 19.849 -16.609 15.538 1.00 31.67 C -ATOM 595 CZ2 TRP H 60D 18.995 -18.306 17.675 1.00 31.38 C -ATOM 596 CZ3 TRP H 60D 18.548 -16.606 16.010 1.00 34.11 C -ATOM 597 CH2 TRP H 60D 18.118 -17.417 17.071 1.00 32.21 C -ATOM 598 N ASP H 60E 26.250 -16.881 13.220 1.00 30.12 N -ATOM 599 CA ASP H 60E 26.839 -16.417 11.977 1.00 30.71 C -ATOM 600 C ASP H 60E 26.234 -15.139 11.401 1.00 29.45 C -ATOM 601 O ASP H 60E 26.414 -14.928 10.191 1.00 29.25 O -ATOM 602 CB ASP H 60E 26.837 -17.590 10.979 1.00 36.21 C -ATOM 603 CG ASP H 60E 27.876 -18.632 11.392 1.00 41.03 C -ATOM 604 OD1 ASP H 60E 29.081 -18.327 11.200 1.00 42.45 O -ATOM 605 OD2 ASP H 60E 27.512 -19.688 11.944 1.00 45.64 O -ATOM 606 N LYS H 60F 25.735 -14.238 12.187 1.00 28.77 N -ATOM 607 CA LYS H 60F 25.215 -12.920 11.783 1.00 28.80 C -ATOM 608 C LYS H 60F 26.223 -11.798 12.006 1.00 29.74 C -ATOM 609 O LYS H 60F 26.730 -11.602 13.135 1.00 28.72 O -ATOM 610 CB LYS H 60F 23.937 -12.618 12.497 1.00 30.64 C -ATOM 611 CG LYS H 60F 23.015 -11.397 12.444 1.00 31.59 C -ATOM 612 CD LYS H 60F 21.796 -11.779 13.326 1.00 31.47 C -ATOM 613 CE LYS H 60F 20.754 -10.743 13.523 1.00 29.40 C -ATOM 614 NZ LYS H 60F 19.715 -11.194 14.500 1.00 30.69 N -ATOM 615 N ASN H 60G 26.375 -11.009 10.954 1.00 29.68 N -ATOM 616 CA ASN H 60G 27.208 -9.794 10.945 1.00 31.34 C -ATOM 617 C ASN H 60G 26.774 -8.904 9.767 1.00 31.10 C -ATOM 618 O ASN H 60G 27.375 -9.017 8.684 1.00 31.32 O -ATOM 619 CB ASN H 60G 28.697 -10.124 10.958 1.00 35.48 C -ATOM 620 CG ASN H 60G 29.670 -8.970 11.047 1.00 40.04 C -ATOM 621 OD1 ASN H 60G 29.330 -7.772 11.151 1.00 42.99 O -ATOM 622 ND2 ASN H 60G 30.969 -9.302 11.075 1.00 41.20 N -ATOM 623 N PHE H 60H 25.750 -8.102 9.908 1.00 30.41 N -ATOM 624 CA PHE H 60H 25.327 -7.204 8.819 1.00 31.24 C -ATOM 625 C PHE H 60H 26.182 -5.942 8.807 1.00 32.13 C -ATOM 626 O PHE H 60H 26.624 -5.470 9.842 1.00 31.75 O -ATOM 627 CB PHE H 60H 23.878 -6.791 8.980 1.00 29.82 C -ATOM 628 CG PHE H 60H 23.046 -8.032 8.898 1.00 27.00 C -ATOM 629 CD1 PHE H 60H 23.009 -8.701 7.682 1.00 29.85 C -ATOM 630 CD2 PHE H 60H 22.252 -8.455 9.944 1.00 29.91 C -ATOM 631 CE1 PHE H 60H 22.260 -9.851 7.508 1.00 26.47 C -ATOM 632 CE2 PHE H 60H 21.425 -9.580 9.782 1.00 27.49 C -ATOM 633 CZ PHE H 60H 21.510 -10.282 8.587 1.00 27.50 C -ATOM 634 N THR H 60I 26.422 -5.481 7.600 1.00 33.09 N -ATOM 635 CA THR H 60I 27.134 -4.259 7.259 1.00 33.54 C -ATOM 636 C THR H 60I 26.083 -3.342 6.593 1.00 33.20 C -ATOM 637 O THR H 60I 24.943 -3.754 6.370 1.00 32.72 O -ATOM 638 CB THR H 60I 28.379 -4.471 6.330 1.00 37.20 C -ATOM 639 OG1 THR H 60I 27.966 -4.542 4.918 1.00 40.39 O -ATOM 640 CG2 THR H 60I 29.221 -5.679 6.765 1.00 37.68 C -ATOM 641 N GLU H 61 26.507 -2.118 6.521 1.00 33.93 N -ATOM 642 CA GLU H 61 25.803 -0.969 5.974 1.00 35.50 C -ATOM 643 C GLU H 61 25.140 -1.305 4.650 1.00 36.11 C -ATOM 644 O GLU H 61 23.920 -1.088 4.476 1.00 37.83 O -ATOM 645 CB GLU H 61 26.757 0.223 5.769 1.00 35.54 C -ATOM 646 CG GLU H 61 27.260 0.931 7.034 1.00 37.21 C -ATOM 647 CD GLU H 61 28.422 0.253 7.739 1.00 39.56 C -ATOM 648 OE1 GLU H 61 29.037 -0.707 7.273 1.00 39.97 O -ATOM 649 OE2 GLU H 61 28.769 0.781 8.817 1.00 38.18 O -ATOM 650 N ASN H 62 25.858 -1.965 3.778 1.00 35.94 N -ATOM 651 CA ASN H 62 25.421 -2.322 2.416 1.00 35.36 C -ATOM 652 C ASN H 62 24.325 -3.383 2.418 1.00 34.34 C -ATOM 653 O ASN H 62 23.711 -3.630 1.357 1.00 33.36 O -ATOM 654 N ASP H 63 24.182 -4.072 3.531 1.00 32.97 N -ATOM 655 CA ASP H 63 23.244 -5.188 3.610 1.00 32.06 C -ATOM 656 C ASP H 63 21.809 -4.756 3.803 1.00 31.25 C -ATOM 657 O ASP H 63 20.924 -5.632 3.654 1.00 32.12 O -ATOM 658 CB ASP H 63 23.626 -6.138 4.757 1.00 37.89 C -ATOM 659 CG ASP H 63 24.933 -6.852 4.490 1.00 43.16 C -ATOM 660 OD1 ASP H 63 25.040 -7.325 3.330 1.00 45.23 O -ATOM 661 OD2 ASP H 63 25.838 -6.932 5.330 1.00 44.80 O -ATOM 662 N LEU H 64 21.623 -3.569 4.324 1.00 29.76 N -ATOM 663 CA LEU H 64 20.300 -3.168 4.791 1.00 29.52 C -ATOM 664 C LEU H 64 19.758 -1.845 4.244 1.00 28.52 C -ATOM 665 O LEU H 64 20.521 -0.981 3.826 1.00 29.88 O -ATOM 666 CB LEU H 64 20.427 -2.884 6.332 1.00 32.89 C -ATOM 667 CG LEU H 64 21.413 -3.710 7.114 1.00 34.43 C -ATOM 668 CD1 LEU H 64 22.074 -3.071 8.316 1.00 34.52 C -ATOM 669 CD2 LEU H 64 20.528 -4.901 7.510 1.00 37.48 C -ATOM 670 N LEU H 65 18.483 -1.746 4.574 1.00 27.32 N -ATOM 671 CA LEU H 65 17.723 -0.524 4.375 1.00 27.73 C -ATOM 672 C LEU H 65 16.924 -0.292 5.679 1.00 25.71 C -ATOM 673 O LEU H 65 16.450 -1.198 6.301 1.00 26.16 O -ATOM 674 CB LEU H 65 16.789 -0.620 3.171 1.00 29.77 C -ATOM 675 CG LEU H 65 17.474 -0.845 1.813 1.00 32.95 C -ATOM 676 CD1 LEU H 65 16.380 -1.069 0.769 1.00 31.45 C -ATOM 677 CD2 LEU H 65 18.327 0.363 1.477 1.00 32.80 C -ATOM 678 N VAL H 66 16.679 0.962 5.926 1.00 24.84 N -ATOM 679 CA VAL H 66 15.820 1.499 6.967 1.00 24.29 C -ATOM 680 C VAL H 66 14.517 1.957 6.235 1.00 23.02 C -ATOM 681 O VAL H 66 14.595 2.801 5.328 1.00 24.76 O -ATOM 682 CB VAL H 66 16.669 2.607 7.642 1.00 24.40 C -ATOM 683 CG1 VAL H 66 15.866 3.722 8.227 1.00 22.27 C -ATOM 684 CG2 VAL H 66 17.570 1.890 8.693 1.00 25.13 C -ATOM 685 N ARG H 67 13.392 1.489 6.648 1.00 20.88 N -ATOM 686 CA ARG H 67 12.056 1.861 6.218 1.00 19.86 C -ATOM 687 C ARG H 67 11.359 2.548 7.377 1.00 19.78 C -ATOM 688 O ARG H 67 10.957 1.951 8.411 1.00 20.15 O -ATOM 689 CB ARG H 67 11.378 0.642 5.632 1.00 20.97 C -ATOM 690 CG ARG H 67 12.231 -0.030 4.498 1.00 18.28 C -ATOM 691 CD ARG H 67 11.430 -1.234 4.174 1.00 20.43 C -ATOM 692 NE ARG H 67 10.179 -0.900 3.491 1.00 24.08 N -ATOM 693 CZ ARG H 67 9.442 -1.770 2.793 1.00 23.49 C -ATOM 694 NH1 ARG H 67 9.818 -3.052 2.677 1.00 25.98 N -ATOM 695 NH2 ARG H 67 8.267 -1.395 2.243 1.00 21.69 N -ATOM 696 N ILE H 68 11.055 3.829 7.175 1.00 19.41 N -ATOM 697 CA ILE H 68 10.418 4.704 8.160 1.00 20.28 C -ATOM 698 C ILE H 68 9.016 5.151 7.785 1.00 19.80 C -ATOM 699 O ILE H 68 8.764 5.375 6.583 1.00 20.05 O -ATOM 700 CB ILE H 68 11.336 5.985 8.378 1.00 21.74 C -ATOM 701 CG1 ILE H 68 12.812 5.519 8.354 1.00 23.60 C -ATOM 702 CG2 ILE H 68 11.013 6.761 9.685 1.00 22.99 C -ATOM 703 CD1 ILE H 68 13.828 6.639 8.737 1.00 25.40 C -ATOM 704 N GLY H 69 8.149 5.308 8.722 1.00 18.68 N -ATOM 705 CA GLY H 69 6.797 5.790 8.492 1.00 19.76 C -ATOM 706 C GLY H 69 5.827 4.682 8.101 1.00 19.52 C -ATOM 707 O GLY H 69 4.733 4.997 7.635 1.00 18.00 O -ATOM 708 N LYS H 70 6.236 3.417 8.285 1.00 20.02 N -ATOM 709 CA LYS H 70 5.338 2.305 7.952 1.00 19.58 C -ATOM 710 C LYS H 70 4.249 1.934 8.921 1.00 20.42 C -ATOM 711 O LYS H 70 4.225 2.102 10.167 1.00 20.56 O -ATOM 712 CB LYS H 70 6.122 0.997 7.661 1.00 19.78 C -ATOM 713 CG LYS H 70 7.130 1.039 6.545 1.00 18.66 C -ATOM 714 CD LYS H 70 7.613 -0.364 6.180 1.00 19.51 C -ATOM 715 CE LYS H 70 6.434 -1.303 5.913 1.00 20.17 C -ATOM 716 NZ LYS H 70 5.789 -0.835 4.612 1.00 18.62 N -ATOM 717 N HIS H 71 3.300 1.177 8.341 1.00 20.41 N -ATOM 718 CA HIS H 71 2.136 0.681 9.103 1.00 19.68 C -ATOM 719 C HIS H 71 1.947 -0.767 8.759 1.00 21.04 C -ATOM 720 O HIS H 71 2.071 -1.728 9.537 1.00 21.70 O -ATOM 721 CB HIS H 71 0.872 1.563 8.895 1.00 19.22 C -ATOM 722 CG HIS H 71 -0.245 1.071 9.756 1.00 16.63 C -ATOM 723 ND1 HIS H 71 -0.352 1.172 11.116 1.00 17.63 N -ATOM 724 CD2 HIS H 71 -1.382 0.431 9.369 1.00 19.28 C -ATOM 725 CE1 HIS H 71 -1.476 0.658 11.554 1.00 17.24 C -ATOM 726 NE2 HIS H 71 -2.126 0.201 10.498 1.00 17.15 N -ATOM 727 N SER H 72 1.804 -1.005 7.448 1.00 22.12 N -ATOM 728 CA SER H 72 1.681 -2.358 6.898 1.00 21.73 C -ATOM 729 C SER H 72 3.082 -2.997 6.996 1.00 21.83 C -ATOM 730 O SER H 72 4.078 -2.351 6.624 1.00 22.20 O -ATOM 731 CB SER H 72 1.290 -2.241 5.397 1.00 21.48 C -ATOM 732 OG SER H 72 1.429 -3.570 4.865 1.00 24.06 O -ATOM 733 N ARG H 73 3.105 -4.268 7.381 1.00 22.78 N -ATOM 734 CA ARG H 73 4.388 -5.012 7.389 1.00 24.33 C -ATOM 735 C ARG H 73 5.034 -5.246 6.037 1.00 24.58 C -ATOM 736 O ARG H 73 6.173 -4.892 5.681 1.00 24.00 O -ATOM 737 CB ARG H 73 4.079 -6.394 8.033 1.00 25.85 C -ATOM 738 CG ARG H 73 5.335 -7.301 8.063 1.00 27.88 C -ATOM 739 CD ARG H 73 5.139 -8.463 8.967 1.00 28.55 C -ATOM 740 NE ARG H 73 4.163 -9.453 8.540 1.00 35.27 N -ATOM 741 CZ ARG H 73 4.361 -10.397 7.591 1.00 34.65 C -ATOM 742 NH1 ARG H 73 5.512 -10.657 6.984 1.00 35.07 N -ATOM 743 NH2 ARG H 73 3.270 -10.851 6.932 1.00 35.43 N -ATOM 744 N THR H 74 4.179 -5.613 5.063 1.00 25.07 N -ATOM 745 CA THR H 74 4.732 -6.081 3.750 1.00 26.83 C -ATOM 746 C THR H 74 4.559 -5.256 2.505 1.00 27.30 C -ATOM 747 O THR H 74 5.415 -5.238 1.586 1.00 28.12 O -ATOM 748 CB THR H 74 3.941 -7.458 3.824 1.00 29.60 C -ATOM 749 OG1 THR H 74 4.902 -8.494 3.935 1.00 36.18 O -ATOM 750 CG2 THR H 74 2.700 -7.422 3.013 1.00 27.17 C -ATOM 751 N ARG H 75 3.644 -4.297 2.524 1.00 27.62 N -ATOM 752 CA ARG H 75 3.349 -3.405 1.391 1.00 27.72 C -ATOM 753 C ARG H 75 4.378 -2.288 1.292 1.00 27.83 C -ATOM 754 O ARG H 75 4.938 -1.855 2.323 1.00 27.52 O -ATOM 755 N TYR H 76 4.666 -1.883 0.079 1.00 26.66 N -ATOM 756 CA TYR H 76 5.531 -0.712 -0.149 1.00 26.34 C -ATOM 757 C TYR H 76 4.520 0.426 -0.026 1.00 26.29 C -ATOM 758 O TYR H 76 3.535 0.388 -0.813 1.00 28.15 O -ATOM 759 CB TYR H 76 6.259 -0.763 -1.480 1.00 28.27 C -ATOM 760 CG TYR H 76 6.950 0.551 -1.746 1.00 29.56 C -ATOM 761 CD1 TYR H 76 7.933 1.064 -0.901 1.00 31.74 C -ATOM 762 CD2 TYR H 76 6.507 1.372 -2.796 1.00 31.82 C -ATOM 763 CE1 TYR H 76 8.502 2.324 -1.057 1.00 30.59 C -ATOM 764 CE2 TYR H 76 7.060 2.641 -2.964 1.00 30.44 C -ATOM 765 CZ TYR H 76 7.974 3.137 -2.065 1.00 32.07 C -ATOM 766 OH TYR H 76 8.535 4.340 -2.367 1.00 34.13 O -ATOM 767 N GLU H 77 4.537 1.235 1.001 1.00 24.30 N -ATOM 768 CA GLU H 77 3.552 2.267 1.302 1.00 23.49 C -ATOM 769 C GLU H 77 3.914 3.576 0.634 1.00 23.54 C -ATOM 770 O GLU H 77 4.310 4.559 1.246 1.00 23.92 O -ATOM 771 CB GLU H 77 3.401 2.406 2.826 1.00 22.81 C -ATOM 772 CG GLU H 77 2.859 1.140 3.445 1.00 22.66 C -ATOM 773 CD GLU H 77 2.802 1.023 4.944 1.00 24.66 C -ATOM 774 OE1 GLU H 77 3.891 0.770 5.532 1.00 22.83 O -ATOM 775 OE2 GLU H 77 1.686 1.033 5.433 1.00 18.55 O -ATOM 776 N ARG H 77A 3.627 3.593 -0.689 1.00 22.74 N -ATOM 777 CA ARG H 77A 3.939 4.685 -1.592 1.00 21.83 C -ATOM 778 C ARG H 77A 3.347 6.004 -1.066 1.00 20.49 C -ATOM 779 O ARG H 77A 2.202 6.137 -0.683 1.00 19.46 O -ATOM 780 N ASN H 78 4.260 6.965 -1.132 1.00 20.42 N -ATOM 781 CA ASN H 78 3.974 8.319 -0.647 1.00 22.95 C -ATOM 782 C ASN H 78 3.902 8.388 0.886 1.00 22.49 C -ATOM 783 O ASN H 78 3.506 9.469 1.355 1.00 22.99 O -ATOM 784 CB ASN H 78 2.658 8.816 -1.269 1.00 23.18 C -ATOM 785 CG ASN H 78 2.701 9.010 -2.766 1.00 24.08 C -ATOM 786 OD1 ASN H 78 3.578 8.490 -3.440 1.00 24.98 O -ATOM 787 ND2 ASN H 78 1.578 9.509 -3.268 1.00 26.44 N -ATOM 788 N ILE H 79 4.070 7.311 1.609 1.00 22.84 N -ATOM 789 CA ILE H 79 3.914 7.402 3.113 1.00 21.81 C -ATOM 790 C ILE H 79 5.283 7.162 3.783 1.00 22.15 C -ATOM 791 O ILE H 79 5.903 8.120 4.319 1.00 21.86 O -ATOM 792 CB ILE H 79 2.802 6.476 3.612 1.00 21.32 C -ATOM 793 CG1 ILE H 79 1.520 6.880 2.831 1.00 23.76 C -ATOM 794 CG2 ILE H 79 2.567 6.484 5.153 1.00 19.46 C -ATOM 795 CD1 ILE H 79 0.196 6.744 3.553 1.00 24.43 C -ATOM 796 N GLU H 80 5.786 6.004 3.410 1.00 21.60 N -ATOM 797 CA GLU H 80 7.085 5.539 3.953 1.00 21.95 C -ATOM 798 C GLU H 80 8.216 6.129 3.185 1.00 23.64 C -ATOM 799 O GLU H 80 8.138 6.517 1.994 1.00 22.73 O -ATOM 800 CB GLU H 80 7.209 4.032 3.897 1.00 23.56 C -ATOM 801 CG GLU H 80 7.619 3.292 2.632 1.00 24.29 C -ATOM 802 CD GLU H 80 7.718 1.789 2.801 1.00 24.93 C -ATOM 803 OE1 GLU H 80 6.738 1.043 2.729 1.00 21.82 O -ATOM 804 OE2 GLU H 80 8.906 1.523 3.186 1.00 22.90 O -ATOM 805 N LYS H 81 9.337 6.232 3.875 1.00 23.70 N -ATOM 806 CA LYS H 81 10.598 6.718 3.277 1.00 25.07 C -ATOM 807 C LYS H 81 11.619 5.615 3.537 1.00 26.58 C -ATOM 808 O LYS H 81 11.637 5.031 4.675 1.00 26.65 O -ATOM 809 CB LYS H 81 10.968 7.996 3.991 1.00 29.28 C -ATOM 810 CG LYS H 81 10.557 9.264 3.241 1.00 37.72 C -ATOM 811 CD LYS H 81 9.605 8.980 2.084 1.00 43.57 C -ATOM 812 CE LYS H 81 8.731 10.179 1.748 1.00 45.51 C -ATOM 813 NZ LYS H 81 7.276 9.855 1.734 1.00 47.21 N -ATOM 814 N ILE H 82 12.470 5.347 2.594 1.00 26.29 N -ATOM 815 CA ILE H 82 13.469 4.280 2.675 1.00 27.11 C -ATOM 816 C ILE H 82 14.833 4.941 2.661 1.00 28.75 C -ATOM 817 O ILE H 82 15.031 5.913 1.904 1.00 29.83 O -ATOM 818 CB ILE H 82 13.288 3.207 1.554 1.00 27.85 C -ATOM 819 CG1 ILE H 82 11.844 2.665 1.614 1.00 28.08 C -ATOM 820 CG2 ILE H 82 14.391 2.123 1.667 1.00 25.99 C -ATOM 821 CD1 ILE H 82 11.343 1.535 0.664 1.00 25.97 C -ATOM 822 N SER H 83 15.716 4.559 3.577 1.00 29.26 N -ATOM 823 CA SER H 83 17.038 5.193 3.597 1.00 30.09 C -ATOM 824 C SER H 83 18.097 4.063 3.669 1.00 30.67 C -ATOM 825 O SER H 83 17.845 2.929 4.050 1.00 30.46 O -ATOM 826 CB SER H 83 17.365 6.192 4.660 1.00 30.99 C -ATOM 827 OG SER H 83 16.308 6.959 5.165 1.00 35.97 O -ATOM 828 N MET H 84 19.233 4.510 3.236 1.00 30.81 N -ATOM 829 CA MET H 84 20.508 3.831 3.158 1.00 32.42 C -ATOM 830 C MET H 84 21.290 4.283 4.403 1.00 32.00 C -ATOM 831 O MET H 84 21.093 5.416 4.908 1.00 32.07 O -ATOM 832 CB MET H 84 21.199 4.183 1.843 1.00 35.70 C -ATOM 833 CG MET H 84 20.333 3.634 0.705 1.00 42.75 C -ATOM 834 SD MET H 84 21.334 3.552 -0.851 1.00 49.95 S -ATOM 835 CE MET H 84 22.011 5.234 -0.817 1.00 45.68 C -ATOM 836 N LEU H 85 22.134 3.368 4.850 1.00 32.15 N -ATOM 837 CA LEU H 85 22.975 3.629 6.036 1.00 31.76 C -ATOM 838 C LEU H 85 24.322 4.129 5.557 1.00 31.08 C -ATOM 839 O LEU H 85 24.834 3.583 4.576 1.00 31.46 O -ATOM 840 CB LEU H 85 23.176 2.357 6.877 1.00 32.76 C -ATOM 841 CG LEU H 85 21.853 1.767 7.372 1.00 35.15 C -ATOM 842 CD1 LEU H 85 22.121 0.389 7.938 1.00 36.40 C -ATOM 843 CD2 LEU H 85 21.293 2.773 8.382 1.00 35.15 C -ATOM 844 N GLU H 86 24.794 5.074 6.329 1.00 31.37 N -ATOM 845 CA GLU H 86 26.130 5.621 6.103 1.00 31.18 C -ATOM 846 C GLU H 86 27.147 4.883 6.992 1.00 31.71 C -ATOM 847 O GLU H 86 28.265 4.558 6.542 1.00 31.05 O -ATOM 848 CB GLU H 86 26.186 7.095 6.445 1.00 32.83 C -ATOM 849 CG GLU H 86 27.477 7.793 6.013 1.00 40.06 C -ATOM 850 CD GLU H 86 27.421 9.246 6.394 1.00 45.51 C -ATOM 851 OE1 GLU H 86 26.380 9.901 6.443 1.00 49.79 O -ATOM 852 OE2 GLU H 86 28.524 9.691 6.771 1.00 49.52 O -ATOM 853 N LYS H 87 26.683 4.578 8.212 1.00 31.42 N -ATOM 854 CA LYS H 87 27.585 3.977 9.208 1.00 30.36 C -ATOM 855 C LYS H 87 26.794 3.313 10.306 1.00 29.06 C -ATOM 856 O LYS H 87 25.779 3.809 10.763 1.00 28.73 O -ATOM 857 CB LYS H 87 28.358 5.159 9.811 1.00 33.97 C -ATOM 858 CG LYS H 87 29.841 4.913 10.102 1.00 36.58 C -ATOM 859 CD LYS H 87 29.978 3.483 10.604 1.00 41.62 C -ATOM 860 CE LYS H 87 31.416 3.083 10.882 1.00 45.14 C -ATOM 861 NZ LYS H 87 32.118 2.815 9.592 1.00 49.09 N -ATOM 862 N ILE H 88 27.275 2.179 10.758 1.00 28.27 N -ATOM 863 CA ILE H 88 26.745 1.457 11.923 1.00 26.01 C -ATOM 864 C ILE H 88 27.769 1.509 13.082 1.00 24.48 C -ATOM 865 O ILE H 88 28.894 1.120 12.856 1.00 23.97 O -ATOM 866 CB ILE H 88 26.509 -0.026 11.500 1.00 27.65 C -ATOM 867 CG1 ILE H 88 25.245 -0.098 10.614 1.00 29.13 C -ATOM 868 CG2 ILE H 88 26.399 -0.971 12.749 1.00 30.16 C -ATOM 869 CD1 ILE H 88 25.141 -1.523 9.965 1.00 31.55 C -ATOM 870 N TYR H 89 27.340 1.736 14.279 1.00 23.67 N -ATOM 871 CA TYR H 89 28.209 1.736 15.457 1.00 24.16 C -ATOM 872 C TYR H 89 27.572 0.810 16.481 1.00 23.10 C -ATOM 873 O TYR H 89 26.471 1.094 16.951 1.00 24.23 O -ATOM 874 CB TYR H 89 28.180 3.147 16.090 1.00 29.25 C -ATOM 875 CG TYR H 89 28.681 4.186 15.095 1.00 33.78 C -ATOM 876 CD1 TYR H 89 30.046 4.431 14.934 1.00 33.63 C -ATOM 877 CD2 TYR H 89 27.751 4.889 14.314 1.00 33.85 C -ATOM 878 CE1 TYR H 89 30.469 5.353 13.977 1.00 38.41 C -ATOM 879 CE2 TYR H 89 28.179 5.847 13.410 1.00 37.35 C -ATOM 880 CZ TYR H 89 29.534 6.084 13.252 1.00 37.77 C -ATOM 881 OH TYR H 89 29.990 6.899 12.247 1.00 41.56 O -ATOM 882 N ILE H 90 28.303 -0.188 16.869 1.00 22.38 N -ATOM 883 CA ILE H 90 27.953 -1.150 17.913 1.00 21.39 C -ATOM 884 C ILE H 90 28.690 -0.801 19.225 1.00 20.41 C -ATOM 885 O ILE H 90 29.900 -0.544 19.121 1.00 18.90 O -ATOM 886 CB ILE H 90 28.287 -2.603 17.422 1.00 21.09 C -ATOM 887 CG1 ILE H 90 27.416 -2.837 16.155 1.00 25.14 C -ATOM 888 CG2 ILE H 90 28.009 -3.720 18.481 1.00 21.71 C -ATOM 889 CD1 ILE H 90 27.419 -4.310 15.679 1.00 25.97 C -ATOM 890 N HIS H 91 28.035 -1.034 20.342 1.00 20.34 N -ATOM 891 CA HIS H 91 28.754 -0.706 21.619 1.00 22.61 C -ATOM 892 C HIS H 91 30.035 -1.515 21.671 1.00 23.30 C -ATOM 893 O HIS H 91 29.918 -2.726 21.437 1.00 21.37 O -ATOM 894 CB HIS H 91 27.817 -0.909 22.824 1.00 22.43 C -ATOM 895 CG HIS H 91 28.390 -0.300 24.075 1.00 26.72 C -ATOM 896 ND1 HIS H 91 29.518 -0.825 24.697 1.00 24.28 N -ATOM 897 CD2 HIS H 91 27.970 0.763 24.819 1.00 25.99 C -ATOM 898 CE1 HIS H 91 29.768 -0.056 25.767 1.00 25.48 C -ATOM 899 NE2 HIS H 91 28.839 0.866 25.893 1.00 24.65 N -ATOM 900 N PRO H 92 31.221 -0.895 21.893 1.00 25.02 N -ATOM 901 CA PRO H 92 32.501 -1.592 22.029 1.00 24.65 C -ATOM 902 C PRO H 92 32.487 -2.727 23.062 1.00 25.05 C -ATOM 903 O PRO H 92 33.173 -3.758 22.856 1.00 25.92 O -ATOM 904 CB PRO H 92 33.521 -0.558 22.430 1.00 25.45 C -ATOM 905 CG PRO H 92 32.753 0.674 22.795 1.00 26.33 C -ATOM 906 CD PRO H 92 31.358 0.521 22.236 1.00 25.81 C -ATOM 907 N ARG H 93 31.654 -2.639 24.079 1.00 23.77 N -ATOM 908 CA ARG H 93 31.518 -3.680 25.100 1.00 23.61 C -ATOM 909 C ARG H 93 30.259 -4.505 25.073 1.00 22.64 C -ATOM 910 O ARG H 93 29.915 -5.175 26.100 1.00 21.66 O -ATOM 911 CB ARG H 93 31.772 -3.083 26.497 1.00 23.05 C -ATOM 912 CG ARG H 93 33.108 -2.319 26.465 1.00 27.38 C -ATOM 913 CD ARG H 93 33.906 -2.966 27.573 1.00 35.00 C -ATOM 914 NE ARG H 93 33.542 -2.392 28.821 1.00 37.51 N -ATOM 915 CZ ARG H 93 33.516 -2.593 30.113 1.00 39.98 C -ATOM 916 NH1 ARG H 93 33.920 -3.662 30.797 1.00 41.69 N -ATOM 917 NH2 ARG H 93 32.886 -1.667 30.868 1.00 40.89 N -ATOM 918 N TYR H 94 29.555 -4.523 23.921 1.00 21.51 N -ATOM 919 CA TYR H 94 28.387 -5.449 23.786 1.00 20.27 C -ATOM 920 C TYR H 94 28.871 -6.896 24.014 1.00 20.02 C -ATOM 921 O TYR H 94 29.791 -7.341 23.332 1.00 19.77 O -ATOM 922 CB TYR H 94 27.841 -5.304 22.361 1.00 22.41 C -ATOM 923 CG TYR H 94 27.009 -6.420 21.759 1.00 19.52 C -ATOM 924 CD1 TYR H 94 25.867 -6.894 22.366 1.00 17.80 C -ATOM 925 CD2 TYR H 94 27.415 -6.893 20.480 1.00 21.39 C -ATOM 926 CE1 TYR H 94 25.170 -7.925 21.743 1.00 19.03 C -ATOM 927 CE2 TYR H 94 26.693 -7.913 19.838 1.00 20.06 C -ATOM 928 CZ TYR H 94 25.533 -8.324 20.468 1.00 18.18 C -ATOM 929 OH TYR H 94 24.817 -9.319 19.847 1.00 20.75 O -ATOM 930 N ASN H 95 28.208 -7.607 24.894 1.00 20.87 N -ATOM 931 CA ASN H 95 28.657 -8.946 25.325 1.00 22.47 C -ATOM 932 C ASN H 95 27.788 -10.020 24.684 1.00 21.64 C -ATOM 933 O ASN H 95 26.824 -10.430 25.314 1.00 23.09 O -ATOM 934 CB ASN H 95 28.771 -8.982 26.854 1.00 24.68 C -ATOM 935 CG ASN H 95 29.244 -10.368 27.357 1.00 27.84 C -ATOM 936 OD1 ASN H 95 29.491 -11.329 26.600 1.00 24.44 O -ATOM 937 ND2 ASN H 95 29.187 -10.557 28.671 1.00 27.07 N -ATOM 938 N TRP H 96 28.146 -10.380 23.456 1.00 22.84 N -ATOM 939 CA TRP H 96 27.369 -11.370 22.701 1.00 24.11 C -ATOM 940 C TRP H 96 27.781 -12.799 23.141 1.00 26.26 C -ATOM 941 O TRP H 96 26.975 -13.729 22.880 1.00 26.46 O -ATOM 942 CB TRP H 96 27.489 -11.320 21.181 1.00 19.91 C -ATOM 943 CG TRP H 96 28.888 -11.303 20.708 1.00 18.12 C -ATOM 944 CD1 TRP H 96 29.644 -10.198 20.495 1.00 17.78 C -ATOM 945 CD2 TRP H 96 29.757 -12.438 20.542 1.00 20.43 C -ATOM 946 NE1 TRP H 96 30.867 -10.549 20.036 1.00 19.69 N -ATOM 947 CE2 TRP H 96 30.977 -11.925 20.064 1.00 21.61 C -ATOM 948 CE3 TRP H 96 29.555 -13.816 20.606 1.00 19.28 C -ATOM 949 CZ2 TRP H 96 32.031 -12.764 19.665 1.00 24.37 C -ATOM 950 CZ3 TRP H 96 30.610 -14.657 20.245 1.00 20.56 C -ATOM 951 CH2 TRP H 96 31.830 -14.137 19.868 1.00 21.27 C -ATOM 952 N ARG H 97 28.953 -12.842 23.778 1.00 25.70 N -ATOM 953 CA ARG H 97 29.431 -14.158 24.210 1.00 27.01 C -ATOM 954 C ARG H 97 28.637 -14.698 25.373 1.00 26.90 C -ATOM 955 O ARG H 97 28.616 -15.924 25.514 1.00 27.64 O -ATOM 956 CB ARG H 97 30.912 -14.214 24.630 1.00 27.02 C -ATOM 957 CG ARG H 97 31.886 -13.827 23.539 1.00 28.45 C -ATOM 958 CD ARG H 97 33.331 -13.982 23.885 1.00 30.28 C -ATOM 959 NE ARG H 97 34.146 -13.826 22.659 1.00 36.99 N -ATOM 960 CZ ARG H 97 34.550 -14.954 22.030 1.00 37.50 C -ATOM 961 NH1 ARG H 97 34.346 -16.163 22.554 1.00 38.85 N -ATOM 962 NH2 ARG H 97 34.957 -14.886 20.778 1.00 40.56 N -ATOM 963 N GLU H 97A 28.004 -13.867 26.181 1.00 27.26 N -ATOM 964 CA GLU H 97A 27.350 -14.373 27.375 1.00 26.52 C -ATOM 965 C GLU H 97A 25.934 -13.945 27.631 1.00 25.81 C -ATOM 966 O GLU H 97A 25.073 -14.839 27.797 1.00 27.53 O -ATOM 967 CB GLU H 97A 28.246 -13.894 28.548 1.00 27.62 C -ATOM 968 CG GLU H 97A 27.899 -14.348 29.916 1.00 29.94 C -ATOM 969 CD GLU H 97A 28.408 -13.483 31.044 1.00 34.65 C -ATOM 970 OE1 GLU H 97A 29.303 -12.648 30.953 1.00 36.30 O -ATOM 971 OE2 GLU H 97A 27.729 -13.664 32.093 1.00 36.76 O -ATOM 972 N ASN H 98 25.661 -12.650 27.839 1.00 23.82 N -ATOM 973 CA ASN H 98 24.299 -12.269 28.213 1.00 21.29 C -ATOM 974 C ASN H 98 23.713 -11.109 27.403 1.00 19.71 C -ATOM 975 O ASN H 98 22.669 -10.626 27.889 1.00 21.63 O -ATOM 976 CB ASN H 98 24.267 -12.045 29.744 1.00 16.75 C -ATOM 977 CG ASN H 98 25.290 -10.943 30.083 1.00 16.52 C -ATOM 978 OD1 ASN H 98 25.422 -10.551 31.244 1.00 22.73 O -ATOM 979 ND2 ASN H 98 26.023 -10.438 29.127 1.00 15.69 N -ATOM 980 N LEU H 99 24.239 -10.722 26.286 1.00 20.05 N -ATOM 981 CA LEU H 99 23.820 -9.558 25.510 1.00 20.00 C -ATOM 982 C LEU H 99 23.837 -8.272 26.333 1.00 20.05 C -ATOM 983 O LEU H 99 22.964 -7.383 26.227 1.00 19.08 O -ATOM 984 CB LEU H 99 22.410 -9.904 24.942 1.00 22.46 C -ATOM 985 CG LEU H 99 22.330 -10.179 23.452 1.00 23.43 C -ATOM 986 CD1 LEU H 99 23.350 -11.169 22.960 1.00 22.19 C -ATOM 987 CD2 LEU H 99 20.890 -10.726 23.225 1.00 23.12 C -ATOM 988 N ASP H 100 24.763 -8.171 27.308 1.00 18.66 N -ATOM 989 CA ASP H 100 24.884 -6.905 28.079 1.00 18.12 C -ATOM 990 C ASP H 100 25.302 -5.804 27.090 1.00 16.17 C -ATOM 991 O ASP H 100 26.184 -6.052 26.239 1.00 16.79 O -ATOM 992 CB ASP H 100 25.980 -7.148 29.148 1.00 18.69 C -ATOM 993 CG ASP H 100 26.040 -5.985 30.126 1.00 19.54 C -ATOM 994 OD1 ASP H 100 25.052 -5.279 30.413 1.00 22.84 O -ATOM 995 OD2 ASP H 100 27.164 -5.817 30.600 1.00 21.98 O -ATOM 996 N ARG H 101 24.812 -4.590 27.324 1.00 14.88 N -ATOM 997 CA ARG H 101 25.098 -3.515 26.356 1.00 16.33 C -ATOM 998 C ARG H 101 24.596 -3.811 24.914 1.00 14.00 C -ATOM 999 O ARG H 101 25.356 -3.627 23.993 1.00 15.49 O -ATOM 1000 CB ARG H 101 26.563 -3.099 26.336 1.00 18.13 C -ATOM 1001 CG ARG H 101 27.031 -2.883 27.801 1.00 24.82 C -ATOM 1002 CD ARG H 101 28.440 -2.345 27.802 1.00 27.63 C -ATOM 1003 NE ARG H 101 28.996 -2.407 29.154 1.00 34.47 N -ATOM 1004 CZ ARG H 101 29.616 -3.516 29.622 1.00 33.71 C -ATOM 1005 NH1 ARG H 101 29.868 -4.652 28.957 1.00 33.95 N -ATOM 1006 NH2 ARG H 101 29.848 -3.437 30.921 1.00 35.74 N -ATOM 1007 N ASP H 102 23.420 -4.319 24.778 1.00 15.43 N -ATOM 1008 CA ASP H 102 22.821 -4.730 23.452 1.00 15.33 C -ATOM 1009 C ASP H 102 22.310 -3.429 22.779 1.00 14.15 C -ATOM 1010 O ASP H 102 21.117 -3.139 22.933 1.00 14.62 O -ATOM 1011 CB ASP H 102 21.675 -5.716 23.790 1.00 14.53 C -ATOM 1012 CG ASP H 102 21.138 -6.356 22.462 1.00 13.94 C -ATOM 1013 OD1 ASP H 102 21.779 -6.186 21.433 1.00 16.31 O -ATOM 1014 OD2 ASP H 102 20.082 -6.964 22.657 1.00 18.08 O -ATOM 1015 N ILE H 103 23.165 -2.669 22.196 1.00 13.94 N -ATOM 1016 CA ILE H 103 22.733 -1.391 21.622 1.00 16.82 C -ATOM 1017 C ILE H 103 23.567 -1.037 20.422 1.00 17.85 C -ATOM 1018 O ILE H 103 24.803 -1.330 20.449 1.00 20.13 O -ATOM 1019 CB ILE H 103 22.792 -0.276 22.728 1.00 15.88 C -ATOM 1020 CG1 ILE H 103 22.266 1.064 22.194 1.00 15.95 C -ATOM 1021 CG2 ILE H 103 24.300 -0.104 23.090 1.00 18.44 C -ATOM 1022 CD1 ILE H 103 21.874 2.099 23.293 1.00 17.28 C -ATOM 1023 N ALA H 104 22.984 -0.426 19.379 1.00 17.63 N -ATOM 1024 CA ALA H 104 23.749 0.013 18.214 1.00 17.83 C -ATOM 1025 C ALA H 104 23.130 1.284 17.635 1.00 19.68 C -ATOM 1026 O ALA H 104 21.886 1.407 17.818 1.00 19.84 O -ATOM 1027 CB ALA H 104 23.832 -1.106 17.159 1.00 18.81 C -ATOM 1028 N LEU H 105 23.937 2.160 17.078 1.00 20.61 N -ATOM 1029 CA LEU H 105 23.484 3.386 16.393 1.00 22.25 C -ATOM 1030 C LEU H 105 23.746 3.240 14.886 1.00 23.63 C -ATOM 1031 O LEU H 105 24.729 2.583 14.508 1.00 24.34 O -ATOM 1032 CB LEU H 105 24.149 4.653 16.911 1.00 22.30 C -ATOM 1033 CG LEU H 105 23.576 5.174 18.204 1.00 24.32 C -ATOM 1034 CD1 LEU H 105 24.643 6.087 18.817 1.00 27.08 C -ATOM 1035 CD2 LEU H 105 22.275 5.964 18.015 1.00 25.13 C -ATOM 1036 N MET H 106 22.846 3.824 14.095 1.00 23.96 N -ATOM 1037 CA MET H 106 22.922 3.780 12.630 1.00 24.06 C -ATOM 1038 C MET H 106 22.648 5.226 12.178 1.00 23.97 C -ATOM 1039 O MET H 106 21.679 5.805 12.640 1.00 23.67 O -ATOM 1040 CB MET H 106 21.941 2.810 11.974 1.00 22.57 C -ATOM 1041 CG MET H 106 22.174 1.438 12.570 1.00 24.53 C -ATOM 1042 SD MET H 106 21.012 0.304 11.771 1.00 31.87 S -ATOM 1043 CE MET H 106 19.469 0.914 12.401 1.00 28.05 C -ATOM 1044 N LYS H 107 23.547 5.710 11.397 1.00 25.42 N -ATOM 1045 CA LYS H 107 23.578 7.038 10.762 1.00 25.27 C -ATOM 1046 C LYS H 107 23.031 6.900 9.319 1.00 24.71 C -ATOM 1047 O LYS H 107 23.600 6.148 8.514 1.00 23.10 O -ATOM 1048 CB LYS H 107 24.992 7.592 10.617 1.00 24.77 C -ATOM 1049 CG LYS H 107 24.954 9.120 10.442 1.00 26.17 C -ATOM 1050 CD LYS H 107 26.291 9.653 9.974 1.00 28.67 C -ATOM 1051 CE LYS H 107 26.317 11.169 10.203 1.00 33.16 C -ATOM 1052 NZ LYS H 107 27.441 11.786 9.448 1.00 36.62 N -ATOM 1053 N LEU H 108 21.996 7.682 9.106 1.00 25.18 N -ATOM 1054 CA LEU H 108 21.334 7.672 7.776 1.00 27.65 C -ATOM 1055 C LEU H 108 22.206 8.386 6.760 1.00 28.35 C -ATOM 1056 O LEU H 108 22.818 9.377 7.139 1.00 28.95 O -ATOM 1057 CB LEU H 108 19.940 8.257 7.982 1.00 28.04 C -ATOM 1058 CG LEU H 108 18.932 7.556 8.885 1.00 26.43 C -ATOM 1059 CD1 LEU H 108 17.518 8.004 8.601 1.00 24.76 C -ATOM 1060 CD2 LEU H 108 19.054 6.046 8.662 1.00 27.63 C -ATOM 1061 N LYS H 109 22.188 7.939 5.518 1.00 30.80 N -ATOM 1062 CA LYS H 109 22.993 8.615 4.468 1.00 32.22 C -ATOM 1063 C LYS H 109 22.532 10.050 4.265 1.00 32.65 C -ATOM 1064 O LYS H 109 23.362 10.957 4.135 1.00 31.99 O -ATOM 1065 CB LYS H 109 22.996 7.821 3.186 1.00 37.23 C -ATOM 1066 CG LYS H 109 24.344 7.164 2.884 1.00 40.97 C -ATOM 1067 CD LYS H 109 24.186 6.070 1.829 1.00 46.72 C -ATOM 1068 CE LYS H 109 25.378 6.005 0.908 1.00 50.00 C -ATOM 1069 NZ LYS H 109 26.641 6.405 1.648 1.00 50.00 N -ATOM 1070 N LYS H 110 21.234 10.290 4.406 1.00 33.39 N -ATOM 1071 CA LYS H 110 20.643 11.640 4.345 1.00 33.34 C -ATOM 1072 C LYS H 110 19.540 11.727 5.410 1.00 32.67 C -ATOM 1073 O LYS H 110 18.874 10.723 5.630 1.00 32.96 O -ATOM 1074 CB LYS H 110 20.032 11.981 2.992 1.00 33.39 C -ATOM 1075 N PRO H 111 19.386 12.934 5.914 1.00 32.59 N -ATOM 1076 CA PRO H 111 18.350 13.255 6.877 1.00 32.87 C -ATOM 1077 C PRO H 111 16.983 12.949 6.272 1.00 33.45 C -ATOM 1078 O PRO H 111 16.709 13.157 5.043 1.00 34.42 O -ATOM 1079 CB PRO H 111 18.484 14.730 7.178 1.00 32.49 C -ATOM 1080 CG PRO H 111 19.605 15.247 6.358 1.00 32.73 C -ATOM 1081 CD PRO H 111 20.193 14.103 5.577 1.00 32.79 C -ATOM 1082 N VAL H 112 16.141 12.465 7.170 1.00 31.86 N -ATOM 1083 CA VAL H 112 14.762 12.133 6.688 1.00 31.23 C -ATOM 1084 C VAL H 112 13.959 13.379 7.108 1.00 30.82 C -ATOM 1085 O VAL H 112 14.244 14.067 8.113 1.00 30.56 O -ATOM 1086 CB VAL H 112 14.254 10.806 7.274 1.00 32.21 C -ATOM 1087 CG1 VAL H 112 14.135 10.913 8.803 1.00 32.49 C -ATOM 1088 CG2 VAL H 112 12.910 10.297 6.743 1.00 32.21 C -ATOM 1089 N ALA H 113 12.947 13.620 6.295 1.00 30.59 N -ATOM 1090 CA ALA H 113 11.993 14.712 6.545 1.00 29.38 C -ATOM 1091 C ALA H 113 10.858 14.123 7.382 1.00 27.80 C -ATOM 1092 O ALA H 113 10.380 13.024 7.055 1.00 28.97 O -ATOM 1093 CB ALA H 113 11.461 15.133 5.149 1.00 32.40 C -ATOM 1094 N PHE H 114 10.486 14.828 8.400 1.00 25.90 N -ATOM 1095 CA PHE H 114 9.402 14.520 9.331 1.00 24.51 C -ATOM 1096 C PHE H 114 8.066 14.804 8.635 1.00 24.75 C -ATOM 1097 O PHE H 114 8.017 15.612 7.684 1.00 24.88 O -ATOM 1098 CB PHE H 114 9.537 15.225 10.679 1.00 23.07 C -ATOM 1099 CG PHE H 114 10.857 14.981 11.344 1.00 21.96 C -ATOM 1100 CD1 PHE H 114 11.619 13.876 10.992 1.00 24.01 C -ATOM 1101 CD2 PHE H 114 11.325 15.834 12.340 1.00 23.49 C -ATOM 1102 CE1 PHE H 114 12.875 13.605 11.543 1.00 24.96 C -ATOM 1103 CE2 PHE H 114 12.585 15.581 12.930 1.00 23.80 C -ATOM 1104 CZ PHE H 114 13.361 14.480 12.502 1.00 23.09 C -ATOM 1105 N SER H 115 7.035 14.137 9.113 1.00 24.07 N -ATOM 1106 CA SER H 115 5.671 14.160 8.516 1.00 23.40 C -ATOM 1107 C SER H 115 4.738 13.726 9.648 1.00 23.06 C -ATOM 1108 O SER H 115 5.222 13.555 10.783 1.00 23.18 O -ATOM 1109 CB SER H 115 5.537 13.213 7.349 1.00 23.88 C -ATOM 1110 OG SER H 115 5.458 11.842 7.710 1.00 21.80 O -ATOM 1111 N ASP H 116 3.497 13.520 9.314 1.00 21.28 N -ATOM 1112 CA ASP H 116 2.536 13.079 10.294 1.00 20.82 C -ATOM 1113 C ASP H 116 2.902 11.633 10.655 1.00 19.71 C -ATOM 1114 O ASP H 116 2.306 11.222 11.669 1.00 21.24 O -ATOM 1115 CB ASP H 116 1.140 13.027 9.667 1.00 25.31 C -ATOM 1116 CG ASP H 116 0.393 14.340 9.510 1.00 30.97 C -ATOM 1117 OD1 ASP H 116 0.798 15.338 10.121 1.00 28.80 O -ATOM 1118 OD2 ASP H 116 -0.693 14.391 8.859 1.00 33.89 O -ATOM 1119 N TYR H 117 3.634 10.935 9.826 1.00 18.68 N -ATOM 1120 CA TYR H 117 3.893 9.534 10.125 1.00 19.42 C -ATOM 1121 C TYR H 117 5.337 9.229 10.613 1.00 19.77 C -ATOM 1122 O TYR H 117 5.576 8.038 10.874 1.00 19.07 O -ATOM 1123 CB TYR H 117 3.624 8.665 8.864 1.00 20.83 C -ATOM 1124 CG TYR H 117 2.283 9.049 8.240 1.00 21.06 C -ATOM 1125 CD1 TYR H 117 1.093 8.611 8.780 1.00 19.71 C -ATOM 1126 CD2 TYR H 117 2.280 9.857 7.085 1.00 24.07 C -ATOM 1127 CE1 TYR H 117 -0.138 9.012 8.241 1.00 22.17 C -ATOM 1128 CE2 TYR H 117 1.053 10.234 6.495 1.00 23.15 C -ATOM 1129 CZ TYR H 117 -0.125 9.797 7.087 1.00 22.96 C -ATOM 1130 OH TYR H 117 -1.369 10.220 6.654 1.00 28.07 O -ATOM 1131 N ILE H 118 6.159 10.239 10.522 1.00 20.05 N -ATOM 1132 CA ILE H 118 7.616 10.188 10.760 1.00 20.03 C -ATOM 1133 C ILE H 118 8.001 11.269 11.763 1.00 19.34 C -ATOM 1134 O ILE H 118 8.029 12.442 11.358 1.00 19.39 O -ATOM 1135 CB ILE H 118 8.423 10.296 9.418 1.00 20.16 C -ATOM 1136 CG1 ILE H 118 7.954 9.159 8.457 1.00 18.17 C -ATOM 1137 CG2 ILE H 118 9.961 10.236 9.697 1.00 19.35 C -ATOM 1138 CD1 ILE H 118 8.654 9.077 7.104 1.00 16.74 C -ATOM 1139 N HIS H 119 8.347 10.917 13.005 1.00 18.46 N -ATOM 1140 CA HIS H 119 8.668 11.907 14.039 1.00 17.63 C -ATOM 1141 C HIS H 119 9.611 11.221 15.066 1.00 18.35 C -ATOM 1142 O HIS H 119 9.321 10.052 15.382 1.00 18.75 O -ATOM 1143 CB HIS H 119 7.306 12.333 14.656 1.00 18.78 C -ATOM 1144 CG HIS H 119 7.461 13.666 15.322 1.00 22.56 C -ATOM 1145 ND1 HIS H 119 7.645 14.841 14.623 1.00 21.67 N -ATOM 1146 CD2 HIS H 119 7.672 13.987 16.631 1.00 23.51 C -ATOM 1147 CE1 HIS H 119 7.894 15.829 15.468 1.00 22.39 C -ATOM 1148 NE2 HIS H 119 7.930 15.322 16.684 1.00 21.87 N -ATOM 1149 N PRO H 120 10.647 11.881 15.609 1.00 18.18 N -ATOM 1150 CA PRO H 120 11.596 11.246 16.529 1.00 17.38 C -ATOM 1151 C PRO H 120 11.028 11.148 17.948 1.00 17.97 C -ATOM 1152 O PRO H 120 10.170 11.955 18.368 1.00 18.12 O -ATOM 1153 CB PRO H 120 12.808 12.183 16.506 1.00 17.95 C -ATOM 1154 CG PRO H 120 12.333 13.501 15.960 1.00 18.14 C -ATOM 1155 CD PRO H 120 10.964 13.285 15.346 1.00 17.72 C -ATOM 1156 N VAL H 121 11.454 10.105 18.694 1.00 17.09 N -ATOM 1157 CA VAL H 121 11.026 9.922 20.119 1.00 17.32 C -ATOM 1158 C VAL H 121 12.118 10.653 20.942 1.00 16.51 C -ATOM 1159 O VAL H 121 13.205 10.744 20.377 1.00 15.43 O -ATOM 1160 CB VAL H 121 10.966 8.408 20.476 1.00 15.51 C -ATOM 1161 CG1 VAL H 121 12.321 7.730 20.366 1.00 12.71 C -ATOM 1162 CG2 VAL H 121 10.208 8.088 21.750 1.00 16.23 C -ATOM 1163 N CYS H 122 11.876 10.999 22.179 1.00 17.06 N -ATOM 1164 CA CYS H 122 12.934 11.602 23.010 1.00 18.12 C -ATOM 1165 C CYS H 122 13.793 10.523 23.710 1.00 17.69 C -ATOM 1166 O CYS H 122 13.278 9.475 24.085 1.00 18.59 O -ATOM 1167 CB CYS H 122 12.267 12.401 24.154 1.00 17.89 C -ATOM 1168 SG CYS H 122 11.085 13.678 23.572 1.00 18.27 S -ATOM 1169 N LEU H 123 15.006 10.896 24.078 1.00 19.79 N -ATOM 1170 CA LEU H 123 15.925 10.014 24.897 1.00 19.66 C -ATOM 1171 C LEU H 123 15.781 10.520 26.329 1.00 20.84 C -ATOM 1172 O LEU H 123 15.589 11.724 26.587 1.00 20.41 O -ATOM 1173 CB LEU H 123 17.326 10.099 24.362 1.00 21.57 C -ATOM 1174 CG LEU H 123 17.748 9.497 23.047 1.00 25.20 C -ATOM 1175 CD1 LEU H 123 19.252 9.537 22.962 1.00 25.79 C -ATOM 1176 CD2 LEU H 123 17.241 8.059 22.943 1.00 28.21 C -ATOM 1177 N PRO H 124 15.648 9.602 27.300 1.00 21.50 N -ATOM 1178 CA PRO H 124 15.382 10.049 28.663 1.00 22.67 C -ATOM 1179 C PRO H 124 16.577 10.827 29.265 1.00 23.90 C -ATOM 1180 O PRO H 124 17.752 10.539 28.970 1.00 23.74 O -ATOM 1181 CB PRO H 124 15.221 8.700 29.397 1.00 21.96 C -ATOM 1182 CG PRO H 124 15.775 7.640 28.530 1.00 21.68 C -ATOM 1183 CD PRO H 124 15.970 8.181 27.140 1.00 21.05 C -ATOM 1184 N ASP H 125 16.245 11.708 30.181 1.00 25.37 N -ATOM 1185 CA ASP H 125 17.169 12.432 31.081 1.00 27.26 C -ATOM 1186 C ASP H 125 17.210 11.577 32.370 1.00 27.80 C -ATOM 1187 O ASP H 125 16.333 10.743 32.698 1.00 26.25 O -ATOM 1188 CB ASP H 125 16.609 13.849 31.392 1.00 27.82 C -ATOM 1189 N ARG H 126 18.258 11.866 33.160 1.00 29.59 N -ATOM 1190 CA ARG H 126 18.423 11.172 34.454 1.00 29.43 C -ATOM 1191 C ARG H 126 17.172 11.251 35.274 1.00 28.83 C -ATOM 1192 O ARG H 126 16.785 10.286 35.943 1.00 30.28 O -ATOM 1193 CB ARG H 126 19.609 11.744 35.270 1.00 34.98 C -ATOM 1194 CG ARG H 126 19.871 10.964 36.555 1.00 42.07 C -ATOM 1195 CD ARG H 126 21.004 11.460 37.401 1.00 47.24 C -ATOM 1196 NE ARG H 126 20.887 12.863 37.852 1.00 50.00 N -ATOM 1197 CZ ARG H 126 21.244 13.864 37.006 1.00 50.00 C -ATOM 1198 NH1 ARG H 126 21.749 13.571 35.795 1.00 50.00 N -ATOM 1199 NH2 ARG H 126 20.956 15.151 37.261 1.00 50.00 N -ATOM 1200 N GLU H 127 16.496 12.374 35.343 1.00 28.78 N -ATOM 1201 CA GLU H 127 15.324 12.505 36.231 1.00 29.13 C -ATOM 1202 C GLU H 127 14.065 11.870 35.651 1.00 29.43 C -ATOM 1203 O GLU H 127 13.138 11.342 36.352 1.00 28.03 O -ATOM 1204 CB GLU H 127 15.203 13.962 36.639 1.00 35.85 C -ATOM 1205 CG GLU H 127 15.924 15.065 35.877 1.00 39.65 C -ATOM 1206 CD GLU H 127 17.415 15.122 35.746 1.00 41.98 C -ATOM 1207 OE1 GLU H 127 18.189 15.075 36.702 1.00 42.77 O -ATOM 1208 OE2 GLU H 127 17.804 15.186 34.543 1.00 40.86 O -ATOM 1209 N THR H 128 14.080 11.827 34.296 1.00 28.20 N -ATOM 1210 CA THR H 128 12.932 11.165 33.634 1.00 29.29 C -ATOM 1211 C THR H 128 13.019 9.651 33.939 1.00 27.54 C -ATOM 1212 O THR H 128 12.035 9.022 34.354 1.00 28.95 O -ATOM 1213 CB THR H 128 12.870 11.426 32.075 1.00 31.77 C -ATOM 1214 OG1 THR H 128 12.476 12.846 31.915 1.00 32.48 O -ATOM 1215 CG2 THR H 128 11.850 10.465 31.433 1.00 30.01 C -ATOM 1216 N ALA H 129 14.210 9.127 33.799 1.00 26.93 N -ATOM 1217 CA ALA H 129 14.515 7.717 34.081 1.00 27.08 C -ATOM 1218 C ALA H 129 14.169 7.421 35.532 1.00 28.22 C -ATOM 1219 O ALA H 129 13.325 6.581 35.913 1.00 28.27 O -ATOM 1220 CB ALA H 129 15.942 7.447 33.602 1.00 23.72 C -ATOM 1221 N ALA H 129A 14.660 8.300 36.414 1.00 28.32 N -ATOM 1222 CA ALA H 129A 14.449 8.118 37.861 1.00 28.08 C -ATOM 1223 C ALA H 129A 12.982 7.949 38.147 1.00 27.96 C -ATOM 1224 O ALA H 129A 12.449 7.079 38.829 1.00 28.66 O -ATOM 1225 CB ALA H 129A 15.082 9.286 38.626 1.00 27.35 C -ATOM 1226 N SER H 129B 12.255 8.937 37.657 1.00 27.51 N -ATOM 1227 CA SER H 129B 10.823 9.015 37.816 1.00 27.74 C -ATOM 1228 C SER H 129B 9.975 7.892 37.207 1.00 27.30 C -ATOM 1229 O SER H 129B 9.043 7.430 37.883 1.00 26.74 O -ATOM 1230 CB SER H 129B 10.494 10.332 37.047 1.00 32.01 C -ATOM 1231 OG SER H 129B 9.464 10.911 37.831 1.00 38.41 O -ATOM 1232 N LEU H 129C 10.312 7.452 36.001 1.00 25.36 N -ATOM 1233 CA LEU H 129C 9.396 6.516 35.308 1.00 25.04 C -ATOM 1234 C LEU H 129C 9.778 5.066 35.411 1.00 23.70 C -ATOM 1235 O LEU H 129C 8.923 4.193 35.288 1.00 23.76 O -ATOM 1236 CB LEU H 129C 9.343 7.032 33.837 1.00 24.65 C -ATOM 1237 CG LEU H 129C 8.504 8.297 33.614 1.00 28.40 C -ATOM 1238 CD1 LEU H 129C 7.980 8.271 32.170 1.00 29.95 C -ATOM 1239 CD2 LEU H 129C 7.296 8.294 34.515 1.00 27.13 C -ATOM 1240 N LEU H 130 11.056 4.786 35.520 1.00 24.52 N -ATOM 1241 CA LEU H 130 11.550 3.406 35.563 1.00 26.51 C -ATOM 1242 C LEU H 130 11.400 2.767 36.947 1.00 28.33 C -ATOM 1243 O LEU H 130 12.418 2.531 37.620 1.00 29.12 O -ATOM 1244 CB LEU H 130 12.982 3.454 35.059 1.00 28.13 C -ATOM 1245 CG LEU H 130 13.331 2.768 33.785 1.00 33.37 C -ATOM 1246 CD1 LEU H 130 14.811 2.348 33.793 1.00 33.92 C -ATOM 1247 CD2 LEU H 130 12.480 1.510 33.593 1.00 31.91 C -ATOM 1248 N GLN H 131 10.207 2.393 37.319 1.00 28.07 N -ATOM 1249 CA GLN H 131 9.697 1.847 38.561 1.00 27.51 C -ATOM 1250 C GLN H 131 8.771 0.652 38.309 1.00 27.25 C -ATOM 1251 O GLN H 131 7.908 0.678 37.407 1.00 25.88 O -ATOM 1252 CB GLN H 131 8.846 2.920 39.251 1.00 27.91 C -ATOM 1253 CG GLN H 131 9.660 4.148 39.612 1.00 36.24 C -ATOM 1254 CD GLN H 131 8.987 4.795 40.806 1.00 42.97 C -ATOM 1255 OE1 GLN H 131 8.387 4.156 41.696 1.00 46.73 O -ATOM 1256 NE2 GLN H 131 9.003 6.131 40.769 1.00 47.12 N -ATOM 1257 N ALA H 132 8.919 -0.376 39.153 1.00 25.92 N -ATOM 1258 CA ALA H 132 8.168 -1.620 39.056 1.00 25.33 C -ATOM 1259 C ALA H 132 6.686 -1.306 39.043 1.00 25.05 C -ATOM 1260 O ALA H 132 6.348 -0.472 39.915 1.00 26.45 O -ATOM 1261 CB ALA H 132 8.500 -2.532 40.243 1.00 24.10 C -ATOM 1262 N GLY H 133 5.910 -1.919 38.168 1.00 23.79 N -ATOM 1263 CA GLY H 133 4.471 -1.704 38.135 1.00 23.70 C -ATOM 1264 C GLY H 133 4.053 -0.653 37.109 1.00 23.60 C -ATOM 1265 O GLY H 133 2.929 -0.661 36.586 1.00 25.02 O -ATOM 1266 N TYR H 134 4.918 0.304 36.838 1.00 23.21 N -ATOM 1267 CA TYR H 134 4.631 1.324 35.823 1.00 21.71 C -ATOM 1268 C TYR H 134 4.668 0.610 34.458 1.00 21.72 C -ATOM 1269 O TYR H 134 5.619 -0.136 34.167 1.00 20.24 O -ATOM 1270 CB TYR H 134 5.647 2.467 35.816 1.00 22.38 C -ATOM 1271 CG TYR H 134 5.551 3.413 37.009 1.00 21.60 C -ATOM 1272 CD1 TYR H 134 4.884 3.065 38.171 1.00 22.91 C -ATOM 1273 CD2 TYR H 134 6.158 4.666 36.908 1.00 24.53 C -ATOM 1274 CE1 TYR H 134 4.792 3.969 39.238 1.00 24.97 C -ATOM 1275 CE2 TYR H 134 6.069 5.608 37.918 1.00 24.28 C -ATOM 1276 CZ TYR H 134 5.403 5.216 39.069 1.00 27.21 C -ATOM 1277 OH TYR H 134 5.320 6.162 40.071 1.00 30.87 O -ATOM 1278 N LYS H 135 3.780 1.117 33.590 1.00 21.79 N -ATOM 1279 CA LYS H 135 3.661 0.501 32.236 1.00 21.27 C -ATOM 1280 C LYS H 135 4.321 1.318 31.131 1.00 20.70 C -ATOM 1281 O LYS H 135 4.256 2.551 31.132 1.00 20.44 O -ATOM 1282 CB LYS H 135 2.192 0.195 31.842 1.00 20.87 C -ATOM 1283 CG LYS H 135 1.598 -0.931 32.706 1.00 21.30 C -ATOM 1284 CD LYS H 135 0.112 -1.085 32.456 1.00 25.12 C -ATOM 1285 CE LYS H 135 -0.458 -2.162 33.373 1.00 27.61 C -ATOM 1286 NZ LYS H 135 -1.940 -2.214 33.138 1.00 29.85 N -ATOM 1287 N GLY H 136 4.944 0.556 30.234 1.00 18.14 N -ATOM 1288 CA GLY H 136 5.567 1.068 29.023 1.00 17.28 C -ATOM 1289 C GLY H 136 4.880 0.384 27.805 1.00 17.51 C -ATOM 1290 O GLY H 136 4.110 -0.580 27.975 1.00 18.99 O -ATOM 1291 N ARG H 137 5.367 0.706 26.624 1.00 16.86 N -ATOM 1292 CA ARG H 137 4.694 0.159 25.400 1.00 15.85 C -ATOM 1293 C ARG H 137 5.758 -0.325 24.470 1.00 15.07 C -ATOM 1294 O ARG H 137 6.791 0.313 24.258 1.00 14.99 O -ATOM 1295 CB ARG H 137 3.778 1.255 24.805 1.00 16.42 C -ATOM 1296 CG ARG H 137 3.284 0.969 23.365 1.00 12.14 C -ATOM 1297 CD ARG H 137 2.511 2.162 22.871 1.00 14.34 C -ATOM 1298 NE ARG H 137 1.270 2.414 23.516 1.00 17.22 N -ATOM 1299 CZ ARG H 137 0.422 3.437 23.266 1.00 18.42 C -ATOM 1300 NH1 ARG H 137 0.649 4.476 22.477 1.00 16.25 N -ATOM 1301 NH2 ARG H 137 -0.758 3.440 23.845 1.00 15.23 N -ATOM 1302 N VAL H 138 5.459 -1.464 23.806 1.00 15.11 N -ATOM 1303 CA VAL H 138 6.363 -2.063 22.853 1.00 15.65 C -ATOM 1304 C VAL H 138 5.602 -2.181 21.518 1.00 15.24 C -ATOM 1305 O VAL H 138 4.441 -2.593 21.649 1.00 16.91 O -ATOM 1306 CB VAL H 138 6.882 -3.440 23.354 1.00 19.15 C -ATOM 1307 CG1 VAL H 138 8.034 -3.932 22.499 1.00 15.72 C -ATOM 1308 CG2 VAL H 138 7.273 -3.247 24.827 1.00 19.13 C -ATOM 1309 N THR H 139 6.380 -1.979 20.512 1.00 15.75 N -ATOM 1310 CA THR H 139 5.766 -2.039 19.162 1.00 16.81 C -ATOM 1311 C THR H 139 6.597 -2.878 18.222 1.00 16.16 C -ATOM 1312 O THR H 139 7.848 -2.757 18.300 1.00 15.55 O -ATOM 1313 CB THR H 139 5.424 -0.617 18.540 1.00 14.81 C -ATOM 1314 OG1 THR H 139 6.633 0.196 18.671 1.00 18.43 O -ATOM 1315 CG2 THR H 139 4.231 0.020 19.201 1.00 14.31 C -ATOM 1316 N GLY H 140 5.940 -3.513 17.226 1.00 15.42 N -ATOM 1317 CA GLY H 140 6.707 -4.213 16.218 1.00 14.25 C -ATOM 1318 C GLY H 140 5.873 -5.114 15.303 1.00 15.79 C -ATOM 1319 O GLY H 140 4.682 -5.317 15.503 1.00 16.47 O -ATOM 1320 N TRP H 141 6.520 -5.525 14.241 1.00 17.92 N -ATOM 1321 CA TRP H 141 5.911 -6.416 13.214 1.00 19.75 C -ATOM 1322 C TRP H 141 6.274 -7.883 13.448 1.00 21.50 C -ATOM 1323 O TRP H 141 6.218 -8.595 12.435 1.00 21.30 O -ATOM 1324 CB TRP H 141 6.436 -5.912 11.861 1.00 19.14 C -ATOM 1325 CG TRP H 141 5.881 -4.589 11.393 1.00 20.39 C -ATOM 1326 CD1 TRP H 141 4.595 -4.345 10.940 1.00 19.34 C -ATOM 1327 CD2 TRP H 141 6.545 -3.327 11.486 1.00 18.20 C -ATOM 1328 NE1 TRP H 141 4.470 -2.976 10.746 1.00 18.92 N -ATOM 1329 CE2 TRP H 141 5.653 -2.355 11.002 1.00 20.13 C -ATOM 1330 CE3 TRP H 141 7.840 -2.933 11.902 1.00 21.56 C -ATOM 1331 CZ2 TRP H 141 6.058 -1.019 10.880 1.00 20.63 C -ATOM 1332 CZ3 TRP H 141 8.269 -1.615 11.744 1.00 19.90 C -ATOM 1333 CH2 TRP H 141 7.354 -0.676 11.198 1.00 22.27 C -ATOM 1334 N GLY H 142 6.902 -8.258 14.562 1.00 22.22 N -ATOM 1335 CA GLY H 142 7.356 -9.604 14.861 1.00 22.71 C -ATOM 1336 C GLY H 142 6.232 -10.620 15.020 1.00 24.80 C -ATOM 1337 O GLY H 142 5.028 -10.300 14.925 1.00 24.93 O -ATOM 1338 N ASN H 143 6.653 -11.876 15.255 1.00 25.27 N -ATOM 1339 CA ASN H 143 5.749 -12.995 15.373 1.00 25.73 C -ATOM 1340 C ASN H 143 4.703 -12.730 16.430 1.00 25.82 C -ATOM 1341 O ASN H 143 5.001 -12.170 17.503 1.00 25.05 O -ATOM 1342 CB ASN H 143 6.448 -14.323 15.645 1.00 30.61 C -ATOM 1343 CG ASN H 143 7.259 -14.724 14.415 1.00 34.00 C -ATOM 1344 OD1 ASN H 143 7.388 -13.992 13.436 1.00 33.70 O -ATOM 1345 ND2 ASN H 143 7.773 -15.939 14.618 1.00 39.24 N -ATOM 1346 N LEU H 144 3.524 -13.281 16.078 1.00 25.38 N -ATOM 1347 CA LEU H 144 2.379 -13.172 16.982 1.00 25.51 C -ATOM 1348 C LEU H 144 2.347 -14.245 18.054 1.00 26.64 C -ATOM 1349 O LEU H 144 1.478 -14.297 18.943 1.00 28.05 O -ATOM 1350 CB LEU H 144 1.144 -13.196 16.062 1.00 28.20 C -ATOM 1351 CG LEU H 144 1.035 -12.032 15.072 1.00 30.12 C -ATOM 1352 CD1 LEU H 144 -0.084 -12.343 14.065 1.00 31.27 C -ATOM 1353 CD2 LEU H 144 0.645 -10.774 15.877 1.00 29.18 C -ATOM 1354 N LYS H 145 3.174 -15.232 17.870 1.00 27.53 N -ATOM 1355 CA LYS H 145 3.168 -16.390 18.797 1.00 29.71 C -ATOM 1356 C LYS H 145 4.573 -16.977 18.686 1.00 29.78 C -ATOM 1357 O LYS H 145 5.284 -16.725 17.690 1.00 29.79 O -ATOM 1358 CB LYS H 145 2.067 -17.374 18.387 1.00 32.15 C -ATOM 1359 N GLU H 146 4.920 -17.725 19.723 1.00 30.75 N -ATOM 1360 CA GLU H 146 6.273 -18.306 19.796 1.00 31.79 C -ATOM 1361 C GLU H 146 6.423 -19.417 18.737 1.00 32.51 C -ATOM 1362 O GLU H 146 7.441 -19.310 17.987 1.00 33.69 O -ATOM 1363 CB GLU H 146 6.583 -18.903 21.167 1.00 29.38 C -ATOM 1364 CG GLU H 146 8.054 -19.211 21.327 1.00 32.52 C -ATOM 1365 CD GLU H 146 8.552 -19.978 22.516 1.00 31.28 C -ATOM 1366 OE1 GLU H 146 7.978 -19.812 23.604 1.00 29.02 O -ATOM 1367 OE2 GLU H 146 9.544 -20.687 22.283 1.00 37.96 O -ATOM 1368 N GLY H 150 1.283 -16.237 12.059 1.00 43.55 N -ATOM 1369 CA GLY H 150 1.694 -15.474 13.241 1.00 42.54 C -ATOM 1370 C GLY H 150 2.697 -14.437 12.735 1.00 41.97 C -ATOM 1371 O GLY H 150 3.827 -14.432 13.219 1.00 42.77 O -ATOM 1372 N GLN H 151 2.266 -13.724 11.728 1.00 41.06 N -ATOM 1373 CA GLN H 151 2.937 -12.543 11.129 1.00 39.75 C -ATOM 1374 C GLN H 151 1.778 -11.571 10.886 1.00 38.19 C -ATOM 1375 O GLN H 151 0.725 -12.016 10.367 1.00 39.48 O -ATOM 1376 CB GLN H 151 3.756 -12.951 9.939 1.00 42.78 C -ATOM 1377 CG GLN H 151 4.220 -14.390 10.253 1.00 49.54 C -ATOM 1378 CD GLN H 151 5.365 -14.714 9.316 1.00 50.00 C -ATOM 1379 OE1 GLN H 151 5.111 -15.255 8.229 1.00 50.00 O -ATOM 1380 NE2 GLN H 151 6.568 -14.264 9.698 1.00 50.00 N -ATOM 1381 N PRO H 152 1.839 -10.447 11.611 1.00 34.62 N -ATOM 1382 CA PRO H 152 0.723 -9.486 11.594 1.00 31.81 C -ATOM 1383 C PRO H 152 0.680 -8.832 10.208 1.00 29.14 C -ATOM 1384 O PRO H 152 1.705 -8.785 9.500 1.00 28.71 O -ATOM 1385 CB PRO H 152 1.132 -8.406 12.619 1.00 31.24 C -ATOM 1386 CG PRO H 152 2.617 -8.545 12.777 1.00 31.82 C -ATOM 1387 CD PRO H 152 3.055 -9.913 12.243 1.00 32.89 C -ATOM 1388 N SER H 153 -0.435 -8.167 9.924 1.00 27.49 N -ATOM 1389 CA SER H 153 -0.393 -7.483 8.596 1.00 26.61 C -ATOM 1390 C SER H 153 0.002 -6.029 8.822 1.00 24.81 C -ATOM 1391 O SER H 153 0.714 -5.514 7.934 1.00 25.91 O -ATOM 1392 CB SER H 153 -1.699 -7.645 7.837 1.00 29.20 C -ATOM 1393 OG SER H 153 -2.738 -7.141 8.643 1.00 34.43 O -ATOM 1394 N VAL H 154 -0.289 -5.595 10.042 1.00 24.08 N -ATOM 1395 CA VAL H 154 0.005 -4.178 10.413 1.00 23.13 C -ATOM 1396 C VAL H 154 0.799 -4.138 11.747 1.00 21.39 C -ATOM 1397 O VAL H 154 0.760 -5.103 12.518 1.00 20.00 O -ATOM 1398 CB VAL H 154 -1.411 -3.596 10.426 1.00 25.57 C -ATOM 1399 CG1 VAL H 154 -2.074 -3.153 11.693 1.00 28.34 C -ATOM 1400 CG2 VAL H 154 -1.757 -2.758 9.192 1.00 25.96 C -ATOM 1401 N LEU H 155 1.409 -2.975 11.984 1.00 20.77 N -ATOM 1402 CA LEU H 155 2.134 -2.784 13.257 1.00 19.70 C -ATOM 1403 C LEU H 155 1.275 -3.173 14.440 1.00 18.83 C -ATOM 1404 O LEU H 155 0.099 -2.783 14.636 1.00 21.33 O -ATOM 1405 CB LEU H 155 2.747 -1.371 13.284 1.00 19.68 C -ATOM 1406 CG LEU H 155 3.650 -1.112 14.532 1.00 21.41 C -ATOM 1407 CD1 LEU H 155 5.047 -1.679 14.307 1.00 19.93 C -ATOM 1408 CD2 LEU H 155 3.653 0.427 14.731 1.00 20.00 C -ATOM 1409 N GLN H 156 1.883 -3.922 15.398 1.00 18.13 N -ATOM 1410 CA GLN H 156 1.280 -4.356 16.652 1.00 17.15 C -ATOM 1411 C GLN H 156 1.797 -3.522 17.877 1.00 18.80 C -ATOM 1412 O GLN H 156 2.993 -3.097 17.866 1.00 18.59 O -ATOM 1413 CB GLN H 156 1.442 -5.835 17.023 1.00 18.70 C -ATOM 1414 CG GLN H 156 0.896 -6.836 16.019 1.00 21.26 C -ATOM 1415 CD GLN H 156 -0.581 -6.667 15.736 1.00 21.74 C -ATOM 1416 OE1 GLN H 156 -1.047 -5.985 14.781 1.00 24.00 O -ATOM 1417 NE2 GLN H 156 -1.316 -7.221 16.703 1.00 17.61 N -ATOM 1418 N VAL H 157 0.937 -3.466 18.840 1.00 19.37 N -ATOM 1419 CA VAL H 157 1.299 -2.739 20.095 1.00 20.16 C -ATOM 1420 C VAL H 157 0.835 -3.574 21.265 1.00 19.07 C -ATOM 1421 O VAL H 157 -0.279 -4.116 21.274 1.00 21.61 O -ATOM 1422 CB VAL H 157 0.731 -1.300 20.088 1.00 22.64 C -ATOM 1423 CG1 VAL H 157 -0.778 -1.279 19.972 1.00 23.05 C -ATOM 1424 CG2 VAL H 157 1.044 -0.513 21.391 1.00 20.85 C -ATOM 1425 N VAL H 158 1.536 -3.497 22.384 1.00 17.83 N -ATOM 1426 CA VAL H 158 1.117 -4.028 23.696 1.00 18.00 C -ATOM 1427 C VAL H 158 1.772 -3.125 24.797 1.00 17.71 C -ATOM 1428 O VAL H 158 2.918 -2.633 24.617 1.00 18.46 O -ATOM 1429 CB VAL H 158 1.608 -5.493 23.857 1.00 17.36 C -ATOM 1430 CG1 VAL H 158 3.117 -5.573 24.045 1.00 18.20 C -ATOM 1431 CG2 VAL H 158 0.872 -6.177 24.989 1.00 19.45 C -ATOM 1432 N ASN H 159 1.128 -2.996 25.902 1.00 19.23 N -ATOM 1433 CA ASN H 159 1.557 -2.213 27.074 1.00 20.61 C -ATOM 1434 C ASN H 159 1.961 -3.220 28.183 1.00 20.95 C -ATOM 1435 O ASN H 159 1.157 -4.127 28.403 1.00 21.26 O -ATOM 1436 CB ASN H 159 0.388 -1.350 27.500 1.00 21.45 C -ATOM 1437 CG ASN H 159 0.023 -0.334 26.408 1.00 22.88 C -ATOM 1438 OD1 ASN H 159 0.885 0.040 25.615 1.00 21.00 O -ATOM 1439 ND2 ASN H 159 -1.198 0.172 26.580 1.00 26.28 N -ATOM 1440 N LEU H 160 3.120 -3.090 28.766 1.00 20.90 N -ATOM 1441 CA LEU H 160 3.560 -4.074 29.798 1.00 20.95 C -ATOM 1442 C LEU H 160 4.094 -3.262 31.005 1.00 20.95 C -ATOM 1443 O LEU H 160 4.861 -2.297 30.776 1.00 19.86 O -ATOM 1444 CB LEU H 160 4.658 -4.876 29.094 1.00 21.72 C -ATOM 1445 CG LEU H 160 4.295 -5.733 27.884 1.00 22.38 C -ATOM 1446 CD1 LEU H 160 5.516 -6.256 27.158 1.00 22.42 C -ATOM 1447 CD2 LEU H 160 3.359 -6.858 28.327 1.00 21.07 C -ATOM 1448 N PRO H 161 3.952 -3.847 32.169 1.00 20.45 N -ATOM 1449 CA PRO H 161 4.459 -3.268 33.392 1.00 20.51 C -ATOM 1450 C PRO H 161 5.925 -3.669 33.611 1.00 20.42 C -ATOM 1451 O PRO H 161 6.324 -4.821 33.327 1.00 20.06 O -ATOM 1452 CB PRO H 161 3.670 -3.995 34.497 1.00 21.27 C -ATOM 1453 CG PRO H 161 3.107 -5.248 33.884 1.00 21.36 C -ATOM 1454 CD PRO H 161 3.181 -5.093 32.392 1.00 21.50 C -ATOM 1455 N ILE H 162 6.713 -2.753 34.087 1.00 19.44 N -ATOM 1456 CA ILE H 162 8.096 -3.070 34.472 1.00 19.71 C -ATOM 1457 C ILE H 162 7.981 -3.970 35.750 1.00 20.25 C -ATOM 1458 O ILE H 162 7.135 -3.760 36.640 1.00 21.27 O -ATOM 1459 CB ILE H 162 8.790 -1.701 34.787 1.00 19.94 C -ATOM 1460 CG1 ILE H 162 8.851 -0.879 33.457 1.00 19.45 C -ATOM 1461 CG2 ILE H 162 10.220 -1.907 35.367 1.00 18.10 C -ATOM 1462 CD1 ILE H 162 9.520 0.497 33.652 1.00 22.11 C -ATOM 1463 N VAL H 163 8.904 -4.895 35.823 1.00 20.32 N -ATOM 1464 CA VAL H 163 9.011 -5.930 36.849 1.00 21.09 C -ATOM 1465 C VAL H 163 10.237 -5.652 37.749 1.00 20.50 C -ATOM 1466 O VAL H 163 11.306 -5.208 37.337 1.00 19.75 O -ATOM 1467 CB VAL H 163 9.063 -7.346 36.190 1.00 20.32 C -ATOM 1468 CG1 VAL H 163 9.211 -8.501 37.179 1.00 19.06 C -ATOM 1469 CG2 VAL H 163 7.822 -7.609 35.354 1.00 21.76 C -ATOM 1470 N GLU H 164 10.009 -5.950 39.029 1.00 22.03 N -ATOM 1471 CA GLU H 164 11.062 -5.825 40.071 1.00 23.13 C -ATOM 1472 C GLU H 164 12.335 -6.573 39.708 1.00 22.31 C -ATOM 1473 O GLU H 164 12.208 -7.749 39.319 1.00 22.69 O -ATOM 1474 CB GLU H 164 10.551 -6.484 41.377 1.00 27.11 C -ATOM 1475 CG GLU H 164 9.245 -5.971 41.935 1.00 32.68 C -ATOM 1476 CD GLU H 164 7.964 -6.448 41.331 1.00 36.44 C -ATOM 1477 OE1 GLU H 164 7.853 -6.866 40.167 1.00 34.50 O -ATOM 1478 OE2 GLU H 164 6.954 -6.374 42.044 1.00 44.35 O -ATOM 1479 N ARG H 165 13.512 -6.006 39.945 1.00 21.65 N -ATOM 1480 CA ARG H 165 14.770 -6.654 39.600 1.00 22.15 C -ATOM 1481 C ARG H 165 14.864 -8.111 40.102 1.00 22.35 C -ATOM 1482 O ARG H 165 15.361 -8.947 39.338 1.00 21.32 O -ATOM 1483 CB ARG H 165 16.042 -5.941 39.940 1.00 26.29 C -ATOM 1484 CG ARG H 165 16.445 -4.661 39.246 1.00 36.34 C -ATOM 1485 CD ARG H 165 17.933 -4.519 39.115 1.00 38.12 C -ATOM 1486 NE ARG H 165 18.335 -4.011 37.827 1.00 43.23 N -ATOM 1487 CZ ARG H 165 18.744 -4.518 36.674 1.00 41.83 C -ATOM 1488 NH1 ARG H 165 19.004 -5.775 36.340 1.00 42.08 N -ATOM 1489 NH2 ARG H 165 19.075 -3.623 35.732 1.00 47.34 N -ATOM 1490 N PRO H 166 14.584 -8.340 41.384 1.00 23.66 N -ATOM 1491 CA PRO H 166 14.666 -9.675 41.993 1.00 23.09 C -ATOM 1492 C PRO H 166 13.771 -10.651 41.235 1.00 22.82 C -ATOM 1493 O PRO H 166 14.276 -11.764 41.036 1.00 22.83 O -ATOM 1494 CB PRO H 166 14.219 -9.558 43.462 1.00 23.25 C -ATOM 1495 CG PRO H 166 14.061 -8.099 43.709 1.00 23.84 C -ATOM 1496 CD PRO H 166 14.145 -7.362 42.390 1.00 23.34 C -ATOM 1497 N VAL H 167 12.565 -10.266 40.845 1.00 21.32 N -ATOM 1498 CA VAL H 167 11.679 -11.142 40.074 1.00 20.88 C -ATOM 1499 C VAL H 167 12.291 -11.411 38.718 1.00 21.47 C -ATOM 1500 O VAL H 167 12.220 -12.557 38.210 1.00 21.77 O -ATOM 1501 CB VAL H 167 10.253 -10.563 39.985 1.00 21.34 C -ATOM 1502 CG1 VAL H 167 9.369 -11.386 39.074 1.00 20.21 C -ATOM 1503 CG2 VAL H 167 9.636 -10.289 41.356 1.00 24.54 C -ATOM 1504 N CYS H 168 12.919 -10.356 38.126 1.00 21.84 N -ATOM 1505 CA CYS H 168 13.625 -10.600 36.871 1.00 21.63 C -ATOM 1506 C CYS H 168 14.702 -11.673 37.073 1.00 22.68 C -ATOM 1507 O CYS H 168 14.859 -12.593 36.226 1.00 21.38 O -ATOM 1508 CB CYS H 168 14.293 -9.348 36.242 1.00 22.86 C -ATOM 1509 SG CYS H 168 13.019 -8.060 35.919 1.00 21.27 S -ATOM 1510 N LYS H 169 15.562 -11.382 38.066 1.00 23.02 N -ATOM 1511 CA LYS H 169 16.705 -12.299 38.299 1.00 23.61 C -ATOM 1512 C LYS H 169 16.298 -13.743 38.593 1.00 21.80 C -ATOM 1513 O LYS H 169 16.944 -14.663 38.080 1.00 21.77 O -ATOM 1514 CB LYS H 169 17.494 -11.807 39.523 1.00 29.26 C -ATOM 1515 CG LYS H 169 18.443 -10.681 39.090 1.00 39.70 C -ATOM 1516 CD LYS H 169 19.651 -10.572 40.019 1.00 44.15 C -ATOM 1517 CE LYS H 169 20.503 -11.846 39.926 1.00 48.60 C -ATOM 1518 NZ LYS H 169 20.714 -12.490 41.269 1.00 49.66 N -ATOM 1519 N ASP H 170 15.241 -13.912 39.358 1.00 21.62 N -ATOM 1520 CA ASP H 170 14.775 -15.260 39.710 1.00 22.42 C -ATOM 1521 C ASP H 170 13.966 -16.000 38.668 1.00 22.41 C -ATOM 1522 O ASP H 170 13.595 -17.161 38.956 1.00 22.93 O -ATOM 1523 CB ASP H 170 13.993 -15.243 41.020 1.00 20.19 C -ATOM 1524 CG ASP H 170 14.927 -14.950 42.185 1.00 23.85 C -ATOM 1525 OD1 ASP H 170 16.142 -15.218 42.126 1.00 25.84 O -ATOM 1526 OD2 ASP H 170 14.278 -14.639 43.181 1.00 27.81 O -ATOM 1527 N SER H 171 13.801 -15.399 37.481 1.00 22.23 N -ATOM 1528 CA SER H 171 13.045 -16.081 36.416 1.00 21.31 C -ATOM 1529 C SER H 171 14.035 -16.783 35.495 1.00 21.23 C -ATOM 1530 O SER H 171 13.606 -17.560 34.634 1.00 22.82 O -ATOM 1531 CB SER H 171 12.165 -15.105 35.594 1.00 20.45 C -ATOM 1532 OG SER H 171 13.031 -14.164 34.926 1.00 18.76 O -ATOM 1533 N THR H 172 15.331 -16.590 35.633 1.00 19.71 N -ATOM 1534 CA THR H 172 16.208 -17.148 34.590 1.00 20.61 C -ATOM 1535 C THR H 172 17.533 -17.605 35.208 1.00 21.42 C -ATOM 1536 O THR H 172 17.757 -17.198 36.353 1.00 21.86 O -ATOM 1537 CB THR H 172 16.478 -15.961 33.552 1.00 18.03 C -ATOM 1538 OG1 THR H 172 17.344 -16.412 32.496 1.00 18.37 O -ATOM 1539 CG2 THR H 172 16.951 -14.653 34.188 1.00 17.52 C -ATOM 1540 N ARG H 173 18.332 -18.271 34.401 1.00 21.59 N -ATOM 1541 CA ARG H 173 19.665 -18.655 34.829 1.00 23.08 C -ATOM 1542 C ARG H 173 20.617 -17.646 34.226 1.00 22.97 C -ATOM 1543 O ARG H 173 21.779 -17.783 34.616 1.00 23.40 O -ATOM 1544 CB ARG H 173 20.131 -20.053 34.394 1.00 27.48 C -ATOM 1545 CG ARG H 173 19.278 -21.155 34.994 1.00 34.70 C -ATOM 1546 CD ARG H 173 19.333 -22.451 34.259 1.00 38.57 C -ATOM 1547 NE ARG H 173 20.517 -23.217 34.654 1.00 42.78 N -ATOM 1548 CZ ARG H 173 20.501 -24.558 34.594 1.00 44.01 C -ATOM 1549 NH1 ARG H 173 19.456 -25.237 34.130 1.00 44.42 N -ATOM 1550 NH2 ARG H 173 21.489 -25.177 35.234 1.00 47.09 N -ATOM 1551 N ILE H 174 20.213 -16.773 33.309 1.00 23.08 N -ATOM 1552 CA ILE H 174 21.147 -15.822 32.666 1.00 22.43 C -ATOM 1553 C ILE H 174 21.531 -14.737 33.717 1.00 21.43 C -ATOM 1554 O ILE H 174 20.718 -14.356 34.550 1.00 21.17 O -ATOM 1555 CB ILE H 174 20.641 -15.177 31.327 1.00 25.42 C -ATOM 1556 CG1 ILE H 174 20.612 -16.284 30.228 1.00 28.86 C -ATOM 1557 CG2 ILE H 174 21.430 -14.000 30.769 1.00 23.32 C -ATOM 1558 CD1 ILE H 174 19.179 -16.893 30.171 1.00 33.99 C -ATOM 1559 N ARG H 175 22.804 -14.394 33.621 1.00 21.38 N -ATOM 1560 CA ARG H 175 23.313 -13.370 34.546 1.00 23.17 C -ATOM 1561 C ARG H 175 22.727 -12.018 34.090 1.00 23.16 C -ATOM 1562 O ARG H 175 23.085 -11.559 32.994 1.00 24.80 O -ATOM 1563 CB ARG H 175 24.842 -13.270 34.498 1.00 23.04 C -ATOM 1564 CG ARG H 175 25.397 -12.254 35.505 1.00 28.23 C -ATOM 1565 CD ARG H 175 26.886 -12.221 35.595 1.00 24.46 C -ATOM 1566 NE ARG H 175 27.467 -11.922 34.284 1.00 27.82 N -ATOM 1567 CZ ARG H 175 27.814 -10.694 33.883 1.00 25.66 C -ATOM 1568 NH1 ARG H 175 27.575 -9.638 34.644 1.00 28.03 N -ATOM 1569 NH2 ARG H 175 28.344 -10.460 32.690 1.00 30.78 N -ATOM 1570 N ILE H 176 21.856 -11.413 34.885 1.00 23.64 N -ATOM 1571 CA ILE H 176 21.374 -10.066 34.498 1.00 24.63 C -ATOM 1572 C ILE H 176 22.221 -8.930 35.075 1.00 25.36 C -ATOM 1573 O ILE H 176 22.885 -9.069 36.145 1.00 26.10 O -ATOM 1574 CB ILE H 176 19.827 -9.989 34.560 1.00 26.65 C -ATOM 1575 CG1 ILE H 176 19.323 -9.879 35.986 1.00 28.15 C -ATOM 1576 CG2 ILE H 176 19.153 -11.172 33.819 1.00 23.07 C -ATOM 1577 CD1 ILE H 176 18.134 -8.850 36.057 1.00 33.54 C -ATOM 1578 N THR H 177 22.425 -7.881 34.278 1.00 23.36 N -ATOM 1579 CA THR H 177 23.208 -6.697 34.609 1.00 21.68 C -ATOM 1580 C THR H 177 22.360 -5.429 34.807 1.00 19.95 C -ATOM 1581 O THR H 177 21.124 -5.403 34.655 1.00 20.10 O -ATOM 1582 CB THR H 177 24.322 -6.441 33.549 1.00 20.24 C -ATOM 1583 OG1 THR H 177 23.591 -5.739 32.445 1.00 23.27 O -ATOM 1584 CG2 THR H 177 24.982 -7.712 33.033 1.00 19.13 C -ATOM 1585 N ASP H 178 23.047 -4.393 35.264 1.00 17.51 N -ATOM 1586 CA ASP H 178 22.379 -3.118 35.504 1.00 18.10 C -ATOM 1587 C ASP H 178 21.990 -2.454 34.141 1.00 17.26 C -ATOM 1588 O ASP H 178 21.295 -1.436 34.193 1.00 17.38 O -ATOM 1589 CB ASP H 178 23.257 -2.144 36.302 1.00 21.49 C -ATOM 1590 CG ASP H 178 23.422 -2.602 37.754 1.00 24.79 C -ATOM 1591 OD1 ASP H 178 22.534 -3.260 38.290 1.00 27.12 O -ATOM 1592 OD2 ASP H 178 24.449 -2.157 38.309 1.00 27.95 O -ATOM 1593 N ASN H 179 22.582 -2.921 33.059 1.00 16.38 N -ATOM 1594 CA ASN H 179 22.202 -2.384 31.729 1.00 17.60 C -ATOM 1595 C ASN H 179 20.947 -3.068 31.151 1.00 17.30 C -ATOM 1596 O ASN H 179 20.768 -2.813 29.955 1.00 18.13 O -ATOM 1597 CB ASN H 179 23.362 -2.533 30.785 1.00 17.23 C -ATOM 1598 CG ASN H 179 24.628 -1.952 31.422 1.00 22.07 C -ATOM 1599 OD1 ASN H 179 24.624 -0.792 31.843 1.00 20.43 O -ATOM 1600 ND2 ASN H 179 25.711 -2.720 31.357 1.00 22.67 N -ATOM 1601 N MET H 180 20.152 -3.762 31.874 1.00 17.34 N -ATOM 1602 CA MET H 180 18.975 -4.515 31.478 1.00 18.71 C -ATOM 1603 C MET H 180 17.853 -4.249 32.444 1.00 18.44 C -ATOM 1604 O MET H 180 18.238 -4.009 33.594 1.00 19.49 O -ATOM 1605 CB MET H 180 19.152 -6.078 31.569 1.00 19.53 C -ATOM 1606 CG MET H 180 20.384 -6.446 30.811 1.00 20.10 C -ATOM 1607 SD MET H 180 20.533 -8.264 31.053 1.00 18.86 S -ATOM 1608 CE MET H 180 22.072 -8.470 30.229 1.00 16.98 C -ATOM 1609 N PHE H 181 16.599 -4.391 32.048 1.00 16.44 N -ATOM 1610 CA PHE H 181 15.431 -4.332 32.890 1.00 16.88 C -ATOM 1611 C PHE H 181 14.443 -5.383 32.262 1.00 17.30 C -ATOM 1612 O PHE H 181 14.663 -5.683 31.076 1.00 17.88 O -ATOM 1613 CB PHE H 181 14.834 -2.975 33.177 1.00 17.97 C -ATOM 1614 CG PHE H 181 14.168 -2.292 31.968 1.00 17.09 C -ATOM 1615 CD1 PHE H 181 12.804 -2.510 31.742 1.00 17.36 C -ATOM 1616 CD2 PHE H 181 14.902 -1.432 31.158 1.00 18.98 C -ATOM 1617 CE1 PHE H 181 12.190 -1.918 30.645 1.00 20.33 C -ATOM 1618 CE2 PHE H 181 14.270 -0.717 30.115 1.00 15.85 C -ATOM 1619 CZ PHE H 181 12.898 -0.954 29.908 1.00 15.99 C -ATOM 1620 N CYS H 182 13.539 -5.945 33.040 1.00 19.02 N -ATOM 1621 CA CYS H 182 12.571 -6.912 32.421 1.00 19.11 C -ATOM 1622 C CYS H 182 11.196 -6.311 32.545 1.00 18.80 C -ATOM 1623 O CYS H 182 10.991 -5.418 33.382 1.00 18.70 O -ATOM 1624 CB CYS H 182 12.763 -8.338 32.918 1.00 20.24 C -ATOM 1625 SG CYS H 182 11.887 -8.845 34.390 1.00 23.15 S -ATOM 1626 N ALA H 183 10.255 -6.799 31.767 1.00 19.47 N -ATOM 1627 CA ALA H 183 8.870 -6.269 31.730 1.00 20.19 C -ATOM 1628 C ALA H 183 7.930 -7.399 31.280 1.00 19.67 C -ATOM 1629 O ALA H 183 8.330 -8.315 30.540 1.00 20.56 O -ATOM 1630 CB ALA H 183 8.726 -5.067 30.793 1.00 18.40 C -ATOM 1631 N GLY H 184 6.759 -7.418 31.864 1.00 20.51 N -ATOM 1632 CA GLY H 184 5.769 -8.460 31.480 1.00 22.14 C -ATOM 1633 C GLY H 184 4.893 -8.705 32.680 1.00 23.29 C -ATOM 1634 O GLY H 184 5.198 -8.273 33.803 1.00 23.64 O -ATOM 1635 N TYR H 184A 3.726 -9.292 32.439 1.00 24.46 N -ATOM 1636 CA TYR H 184A 2.858 -9.627 33.591 1.00 26.20 C -ATOM 1637 C TYR H 184A 3.394 -10.957 34.197 1.00 28.30 C -ATOM 1638 O TYR H 184A 4.080 -11.760 33.534 1.00 28.00 O -ATOM 1639 CB TYR H 184A 1.440 -9.885 33.067 1.00 25.46 C -ATOM 1640 CG TYR H 184A 0.856 -8.610 32.520 1.00 25.34 C -ATOM 1641 CD1 TYR H 184A 0.320 -7.754 33.480 1.00 25.57 C -ATOM 1642 CD2 TYR H 184A 0.904 -8.253 31.167 1.00 27.21 C -ATOM 1643 CE1 TYR H 184A -0.181 -6.512 33.101 1.00 27.10 C -ATOM 1644 CE2 TYR H 184A 0.317 -7.024 30.772 1.00 27.14 C -ATOM 1645 CZ TYR H 184A -0.182 -6.161 31.753 1.00 28.62 C -ATOM 1646 OH TYR H 184A -0.775 -4.946 31.506 1.00 28.70 O -ATOM 1647 N LYS H 185 2.948 -11.166 35.410 1.00 29.91 N -ATOM 1648 CA LYS H 185 3.186 -12.352 36.242 1.00 32.76 C -ATOM 1649 C LYS H 185 2.118 -13.400 35.955 1.00 35.15 C -ATOM 1650 O LYS H 185 1.051 -12.983 35.451 1.00 35.72 O -ATOM 1651 CB LYS H 185 2.995 -11.910 37.712 1.00 32.10 C -ATOM 1652 CG LYS H 185 4.298 -11.181 38.032 1.00 33.82 C -ATOM 1653 CD LYS H 185 4.230 -10.368 39.285 1.00 35.69 C -ATOM 1654 CE LYS H 185 5.600 -9.690 39.399 1.00 35.45 C -ATOM 1655 NZ LYS H 185 5.413 -8.727 40.513 1.00 41.59 N -ATOM 1656 N PRO H 186 2.421 -14.658 36.290 1.00 36.59 N -ATOM 1657 CA PRO H 186 1.470 -15.730 35.973 1.00 37.86 C -ATOM 1658 C PRO H 186 0.144 -15.549 36.683 1.00 38.40 C -ATOM 1659 O PRO H 186 -0.930 -15.819 36.093 1.00 38.99 O -ATOM 1660 CB PRO H 186 2.249 -17.027 36.094 1.00 37.44 C -ATOM 1661 CG PRO H 186 3.672 -16.666 36.377 1.00 37.14 C -ATOM 1662 CD PRO H 186 3.731 -15.187 36.665 1.00 36.80 C -ATOM 1663 N ASP H 186A 0.183 -14.899 37.820 1.00 39.74 N -ATOM 1664 CA ASP H 186A -0.983 -14.690 38.695 1.00 41.73 C -ATOM 1665 C ASP H 186A -1.905 -13.573 38.212 1.00 42.55 C -ATOM 1666 O ASP H 186A -3.103 -13.501 38.544 1.00 42.73 O -ATOM 1667 N GLU H 186B -1.284 -12.715 37.420 1.00 42.97 N -ATOM 1668 CA GLU H 186B -1.772 -11.483 36.872 1.00 42.55 C -ATOM 1669 C GLU H 186B -2.929 -11.480 35.936 1.00 42.69 C -ATOM 1670 O GLU H 186B -3.593 -10.412 35.892 1.00 44.08 O -ATOM 1671 CB GLU H 186B -0.629 -10.626 36.303 1.00 43.64 C -ATOM 1672 CG GLU H 186B -0.160 -9.598 37.334 1.00 43.58 C -ATOM 1673 CD GLU H 186B 1.108 -8.866 37.085 1.00 44.16 C -ATOM 1674 OE1 GLU H 186B 2.068 -9.103 36.391 1.00 45.38 O -ATOM 1675 OE2 GLU H 186B 1.166 -7.846 37.804 1.00 47.94 O -ATOM 1676 N GLY H 186C -3.225 -12.489 35.165 1.00 42.25 N -ATOM 1677 CA GLY H 186C -4.442 -12.344 34.338 1.00 42.42 C -ATOM 1678 C GLY H 186C -4.251 -11.298 33.257 1.00 42.26 C -ATOM 1679 O GLY H 186C -5.054 -10.366 33.050 1.00 44.04 O -ATOM 1680 N LYS H 186D -3.181 -11.455 32.512 1.00 40.71 N -ATOM 1681 CA LYS H 186D -2.875 -10.583 31.359 1.00 37.22 C -ATOM 1682 C LYS H 186D -1.564 -11.136 30.819 1.00 35.44 C -ATOM 1683 O LYS H 186D -0.746 -11.598 31.635 1.00 36.03 O -ATOM 1684 CB LYS H 186D -2.802 -9.145 31.806 1.00 38.16 C -ATOM 1685 CG LYS H 186D -4.124 -8.445 31.896 1.00 39.72 C -ATOM 1686 CD LYS H 186D -4.036 -6.935 31.818 1.00 43.25 C -ATOM 1687 CE LYS H 186D -4.046 -6.337 33.215 1.00 46.76 C -ATOM 1688 NZ LYS H 186D -4.964 -7.109 34.111 1.00 49.05 N -ATOM 1689 N ARG H 187 -1.393 -11.139 29.526 1.00 33.09 N -ATOM 1690 CA ARG H 187 -0.244 -11.651 28.803 1.00 30.40 C -ATOM 1691 C ARG H 187 0.316 -10.569 27.871 1.00 28.83 C -ATOM 1692 O ARG H 187 -0.250 -9.468 27.761 1.00 29.14 O -ATOM 1693 CB ARG H 187 -0.705 -12.833 27.925 1.00 29.94 C -ATOM 1694 CG ARG H 187 -1.479 -13.876 28.716 1.00 31.46 C -ATOM 1695 CD ARG H 187 -1.570 -15.110 27.863 1.00 32.77 C -ATOM 1696 NE ARG H 187 -0.193 -15.602 27.685 1.00 33.18 N -ATOM 1697 CZ ARG H 187 0.344 -16.321 28.701 1.00 35.31 C -ATOM 1698 NH1 ARG H 187 -0.378 -16.608 29.795 1.00 33.30 N -ATOM 1699 NH2 ARG H 187 1.615 -16.747 28.615 1.00 34.99 N -ATOM 1700 N GLY H 188 1.271 -10.952 27.068 1.00 27.17 N -ATOM 1701 CA GLY H 188 1.912 -10.058 26.110 1.00 24.81 C -ATOM 1702 C GLY H 188 3.421 -10.171 26.247 1.00 24.77 C -ATOM 1703 O GLY H 188 4.010 -10.381 27.346 1.00 25.43 O -ATOM 1704 N ASP H 189 4.054 -9.967 25.102 1.00 23.55 N -ATOM 1705 CA ASP H 189 5.531 -10.002 25.047 1.00 21.43 C -ATOM 1706 C ASP H 189 5.938 -9.577 23.633 1.00 21.27 C -ATOM 1707 O ASP H 189 5.071 -9.618 22.731 1.00 20.93 O -ATOM 1708 CB ASP H 189 6.037 -11.385 25.433 1.00 18.15 C -ATOM 1709 CG ASP H 189 7.521 -11.445 25.768 1.00 21.95 C -ATOM 1710 OD1 ASP H 189 8.234 -10.417 25.818 1.00 19.21 O -ATOM 1711 OD2 ASP H 189 8.062 -12.573 25.804 1.00 20.77 O -ATOM 1712 N ALA H 190 7.199 -9.232 23.505 1.00 19.10 N -ATOM 1713 CA ALA H 190 7.870 -9.061 22.232 1.00 18.83 C -ATOM 1714 C ALA H 190 8.115 -10.519 21.743 1.00 20.33 C -ATOM 1715 O ALA H 190 8.095 -11.470 22.539 1.00 19.52 O -ATOM 1716 CB ALA H 190 9.200 -8.324 22.313 1.00 13.42 C -ATOM 1717 N CYS H 191 8.462 -10.665 20.484 1.00 20.79 N -ATOM 1718 CA CYS H 191 8.767 -12.003 19.923 1.00 21.98 C -ATOM 1719 C CYS H 191 9.768 -11.790 18.829 1.00 22.85 C -ATOM 1720 O CYS H 191 10.228 -10.644 18.613 1.00 22.22 O -ATOM 1721 CB CYS H 191 7.496 -12.747 19.499 1.00 24.03 C -ATOM 1722 SG CYS H 191 7.616 -14.536 19.358 1.00 24.96 S -ATOM 1723 N GLU H 192 10.126 -12.892 18.128 1.00 24.16 N -ATOM 1724 CA GLU H 192 11.124 -12.728 17.067 1.00 24.34 C -ATOM 1725 C GLU H 192 10.630 -11.701 16.030 1.00 22.75 C -ATOM 1726 O GLU H 192 9.444 -11.802 15.714 1.00 22.09 O -ATOM 1727 CB GLU H 192 11.456 -14.006 16.280 1.00 33.61 C -ATOM 1728 CG GLU H 192 10.436 -15.106 16.228 1.00 43.64 C -ATOM 1729 CD GLU H 192 10.555 -16.258 17.185 1.00 50.00 C -ATOM 1730 OE1 GLU H 192 11.447 -16.068 18.073 1.00 50.00 O -ATOM 1731 OE2 GLU H 192 9.789 -17.243 17.134 1.00 50.00 O -ATOM 1732 N GLY H 193 11.500 -10.881 15.498 1.00 21.68 N -ATOM 1733 CA GLY H 193 11.111 -9.884 14.473 1.00 20.31 C -ATOM 1734 C GLY H 193 10.867 -8.588 15.260 1.00 19.47 C -ATOM 1735 O GLY H 193 11.129 -7.572 14.605 1.00 20.88 O -ATOM 1736 N ASP H 194 10.618 -8.644 16.536 1.00 19.06 N -ATOM 1737 CA ASP H 194 10.494 -7.422 17.384 1.00 18.59 C -ATOM 1738 C ASP H 194 11.841 -6.870 17.911 1.00 18.96 C -ATOM 1739 O ASP H 194 11.899 -5.652 18.341 1.00 18.38 O -ATOM 1740 CB ASP H 194 9.528 -7.683 18.550 1.00 17.72 C -ATOM 1741 CG ASP H 194 8.097 -7.949 18.057 1.00 22.03 C -ATOM 1742 OD1 ASP H 194 7.729 -7.275 17.063 1.00 19.48 O -ATOM 1743 OD2 ASP H 194 7.389 -8.756 18.686 1.00 18.00 O -ATOM 1744 N SER H 195 12.900 -7.672 17.905 1.00 18.29 N -ATOM 1745 CA SER H 195 14.253 -7.236 18.352 1.00 18.29 C -ATOM 1746 C SER H 195 14.588 -5.849 17.860 1.00 18.29 C -ATOM 1747 O SER H 195 14.352 -5.570 16.651 1.00 17.74 O -ATOM 1748 CB SER H 195 15.344 -8.176 17.808 1.00 17.07 C -ATOM 1749 OG SER H 195 15.258 -9.367 18.561 1.00 17.71 O -ATOM 1750 N GLY H 196 15.226 -5.062 18.746 1.00 16.11 N -ATOM 1751 CA GLY H 196 15.648 -3.705 18.350 1.00 14.02 C -ATOM 1752 C GLY H 196 14.562 -2.654 18.404 1.00 13.56 C -ATOM 1753 O GLY H 196 14.933 -1.460 18.394 1.00 14.18 O -ATOM 1754 N GLY H 197 13.295 -2.970 18.601 1.00 14.59 N -ATOM 1755 CA GLY H 197 12.260 -1.947 18.678 1.00 14.19 C -ATOM 1756 C GLY H 197 12.356 -1.204 20.014 1.00 16.21 C -ATOM 1757 O GLY H 197 12.874 -1.667 21.073 1.00 14.66 O -ATOM 1758 N PRO H 198 11.505 -0.172 20.090 1.00 17.01 N -ATOM 1759 CA PRO H 198 11.463 0.711 21.275 1.00 16.09 C -ATOM 1760 C PRO H 198 10.543 0.271 22.331 1.00 15.65 C -ATOM 1761 O PRO H 198 9.344 -0.098 22.087 1.00 17.31 O -ATOM 1762 CB PRO H 198 10.961 2.085 20.760 1.00 16.61 C -ATOM 1763 CG PRO H 198 10.258 1.741 19.463 1.00 17.16 C -ATOM 1764 CD PRO H 198 10.846 0.472 18.916 1.00 17.08 C -ATOM 1765 N PHE H 199 10.958 0.442 23.586 1.00 14.16 N -ATOM 1766 CA PHE H 199 10.079 0.297 24.767 1.00 12.84 C -ATOM 1767 C PHE H 199 9.866 1.767 25.220 1.00 13.93 C -ATOM 1768 O PHE H 199 10.843 2.455 25.588 1.00 12.85 O -ATOM 1769 CB PHE H 199 10.599 -0.689 25.831 1.00 12.14 C -ATOM 1770 CG PHE H 199 9.905 -0.735 27.125 1.00 13.41 C -ATOM 1771 CD1 PHE H 199 9.962 0.374 27.993 1.00 14.41 C -ATOM 1772 CD2 PHE H 199 9.056 -1.781 27.532 1.00 14.18 C -ATOM 1773 CE1 PHE H 199 9.254 0.471 29.189 1.00 15.19 C -ATOM 1774 CE2 PHE H 199 8.368 -1.767 28.727 1.00 15.80 C -ATOM 1775 CZ PHE H 199 8.470 -0.655 29.595 1.00 15.06 C -ATOM 1776 N VAL H 200 8.643 2.289 25.080 1.00 14.06 N -ATOM 1777 CA VAL H 200 8.403 3.739 25.392 1.00 13.54 C -ATOM 1778 C VAL H 200 7.474 3.902 26.536 1.00 13.21 C -ATOM 1779 O VAL H 200 6.587 3.087 26.872 1.00 14.74 O -ATOM 1780 CB VAL H 200 7.954 4.529 24.135 1.00 16.58 C -ATOM 1781 CG1 VAL H 200 8.843 4.496 22.925 1.00 17.04 C -ATOM 1782 CG2 VAL H 200 6.514 4.110 23.750 1.00 12.57 C -ATOM 1783 N MET H 201 7.559 5.120 27.104 1.00 14.33 N -ATOM 1784 CA MET H 201 6.742 5.606 28.181 1.00 15.31 C -ATOM 1785 C MET H 201 6.333 7.056 27.914 1.00 16.28 C -ATOM 1786 O MET H 201 7.098 7.826 27.367 1.00 16.87 O -ATOM 1787 CB MET H 201 7.445 5.437 29.553 1.00 16.28 C -ATOM 1788 CG MET H 201 7.592 3.969 29.901 1.00 19.43 C -ATOM 1789 SD MET H 201 8.619 3.804 31.455 1.00 20.66 S -ATOM 1790 CE MET H 201 7.214 3.618 32.543 1.00 17.74 C -ATOM 1791 N LYS H 202 5.189 7.466 28.391 1.00 17.95 N -ATOM 1792 CA LYS H 202 4.713 8.852 28.188 1.00 18.85 C -ATOM 1793 C LYS H 202 4.822 9.620 29.522 1.00 17.99 C -ATOM 1794 O LYS H 202 4.256 9.177 30.524 1.00 18.68 O -ATOM 1795 CB LYS H 202 3.259 8.895 27.743 1.00 17.01 C -ATOM 1796 CG LYS H 202 2.758 10.345 27.593 1.00 19.79 C -ATOM 1797 CD LYS H 202 1.591 10.319 26.593 1.00 19.51 C -ATOM 1798 CE LYS H 202 1.106 11.756 26.519 1.00 20.83 C -ATOM 1799 NZ LYS H 202 -0.114 11.894 25.697 1.00 21.59 N -ATOM 1800 N SER H 203 5.599 10.678 29.497 1.00 18.56 N -ATOM 1801 CA SER H 203 5.799 11.502 30.715 1.00 19.65 C -ATOM 1802 C SER H 203 4.519 12.205 31.101 1.00 21.09 C -ATOM 1803 O SER H 203 3.967 12.942 30.245 1.00 21.74 O -ATOM 1804 CB SER H 203 7.011 12.451 30.569 1.00 21.74 C -ATOM 1805 OG SER H 203 7.000 13.324 31.734 1.00 23.15 O -ATOM 1806 N PRO H 204 4.118 12.002 32.352 1.00 21.10 N -ATOM 1807 CA PRO H 204 2.926 12.644 32.926 1.00 21.31 C -ATOM 1808 C PRO H 204 3.216 14.134 33.225 1.00 21.80 C -ATOM 1809 O PRO H 204 2.222 14.902 33.355 1.00 22.45 O -ATOM 1810 CB PRO H 204 2.653 11.896 34.228 1.00 22.27 C -ATOM 1811 CG PRO H 204 3.895 11.118 34.545 1.00 21.36 C -ATOM 1812 CD PRO H 204 4.801 11.165 33.344 1.00 21.02 C -ATOM 1813 N PHE H 204A 4.450 14.564 33.171 1.00 21.39 N -ATOM 1814 CA PHE H 204A 4.927 15.915 33.461 1.00 21.72 C -ATOM 1815 C PHE H 204A 4.954 16.845 32.251 1.00 21.80 C -ATOM 1816 O PHE H 204A 4.723 18.070 32.396 1.00 20.38 O -ATOM 1817 CB PHE H 204A 6.355 15.917 34.096 1.00 23.29 C -ATOM 1818 CG PHE H 204A 6.498 14.960 35.232 1.00 25.53 C -ATOM 1819 CD1 PHE H 204A 5.972 15.215 36.488 1.00 25.57 C -ATOM 1820 CD2 PHE H 204A 7.175 13.753 35.036 1.00 29.03 C -ATOM 1821 CE1 PHE H 204A 6.078 14.351 37.566 1.00 26.51 C -ATOM 1822 CE2 PHE H 204A 7.286 12.815 36.090 1.00 26.64 C -ATOM 1823 CZ PHE H 204A 6.706 13.116 37.329 1.00 27.07 C -ATOM 1824 N ASN H 204B 5.385 16.261 31.119 1.00 21.40 N -ATOM 1825 CA ASN H 204B 5.509 17.085 29.913 1.00 21.04 C -ATOM 1826 C ASN H 204B 4.790 16.490 28.691 1.00 21.76 C -ATOM 1827 O ASN H 204B 5.009 17.055 27.612 1.00 20.28 O -ATOM 1828 CB ASN H 204B 6.951 17.475 29.655 1.00 20.76 C -ATOM 1829 CG ASN H 204B 7.814 16.336 29.178 1.00 22.59 C -ATOM 1830 OD1 ASN H 204B 9.033 16.528 29.017 1.00 23.88 O -ATOM 1831 ND2 ASN H 204B 7.222 15.157 29.061 1.00 17.69 N -ATOM 1832 N ASN H 205 4.084 15.406 28.888 1.00 21.58 N -ATOM 1833 CA ASN H 205 3.289 14.725 27.870 1.00 22.18 C -ATOM 1834 C ASN H 205 4.065 14.294 26.646 1.00 20.86 C -ATOM 1835 O ASN H 205 3.489 13.983 25.605 1.00 20.50 O -ATOM 1836 CB ASN H 205 2.049 15.612 27.605 1.00 32.85 C -ATOM 1837 CG ASN H 205 1.339 15.930 28.920 1.00 40.30 C -ATOM 1838 OD1 ASN H 205 0.444 15.198 29.421 1.00 46.03 O -ATOM 1839 ND2 ASN H 205 1.742 17.000 29.648 1.00 45.85 N -ATOM 1840 N ARG H 206 5.362 14.093 26.798 1.00 18.26 N -ATOM 1841 CA ARG H 206 6.266 13.630 25.799 1.00 17.75 C -ATOM 1842 C ARG H 206 6.546 12.115 25.892 1.00 15.99 C -ATOM 1843 O ARG H 206 6.569 11.608 27.014 1.00 15.23 O -ATOM 1844 CB ARG H 206 7.602 14.343 25.856 1.00 17.83 C -ATOM 1845 CG ARG H 206 7.487 15.786 25.360 1.00 21.76 C -ATOM 1846 CD ARG H 206 8.877 16.247 25.091 1.00 23.08 C -ATOM 1847 NE ARG H 206 8.851 17.695 25.020 1.00 26.17 N -ATOM 1848 CZ ARG H 206 9.286 18.406 23.989 1.00 26.86 C -ATOM 1849 NH1 ARG H 206 9.743 17.823 22.894 1.00 23.80 N -ATOM 1850 NH2 ARG H 206 9.143 19.739 24.074 1.00 27.35 N -ATOM 1851 N TRP H 207 6.797 11.497 24.738 1.00 14.22 N -ATOM 1852 CA TRP H 207 7.148 10.056 24.721 1.00 14.96 C -ATOM 1853 C TRP H 207 8.659 9.894 24.815 1.00 13.46 C -ATOM 1854 O TRP H 207 9.406 10.495 24.016 1.00 15.32 O -ATOM 1855 CB TRP H 207 6.614 9.303 23.471 1.00 12.13 C -ATOM 1856 CG TRP H 207 5.144 9.099 23.529 1.00 15.65 C -ATOM 1857 CD1 TRP H 207 4.234 10.020 23.029 1.00 13.74 C -ATOM 1858 CD2 TRP H 207 4.377 8.008 24.059 1.00 16.47 C -ATOM 1859 NE1 TRP H 207 2.982 9.552 23.275 1.00 17.14 N -ATOM 1860 CE2 TRP H 207 3.006 8.302 23.820 1.00 16.49 C -ATOM 1861 CE3 TRP H 207 4.702 6.808 24.665 1.00 15.16 C -ATOM 1862 CZ2 TRP H 207 1.959 7.507 24.262 1.00 14.33 C -ATOM 1863 CZ3 TRP H 207 3.674 5.925 24.984 1.00 16.11 C -ATOM 1864 CH2 TRP H 207 2.321 6.298 24.792 1.00 16.83 C -ATOM 1865 N TYR H 208 9.086 9.033 25.741 1.00 13.30 N -ATOM 1866 CA TYR H 208 10.559 8.747 25.886 1.00 14.13 C -ATOM 1867 C TYR H 208 10.887 7.286 25.614 1.00 15.30 C -ATOM 1868 O TYR H 208 10.094 6.396 26.014 1.00 18.65 O -ATOM 1869 CB TYR H 208 10.850 8.988 27.391 1.00 15.38 C -ATOM 1870 CG TYR H 208 10.892 10.501 27.643 1.00 14.76 C -ATOM 1871 CD1 TYR H 208 12.129 11.139 27.471 1.00 12.98 C -ATOM 1872 CD2 TYR H 208 9.763 11.179 28.087 1.00 16.89 C -ATOM 1873 CE1 TYR H 208 12.285 12.515 27.670 1.00 16.79 C -ATOM 1874 CE2 TYR H 208 9.877 12.579 28.296 1.00 20.70 C -ATOM 1875 CZ TYR H 208 11.131 13.186 28.081 1.00 20.33 C -ATOM 1876 OH TYR H 208 11.238 14.544 28.302 1.00 25.15 O -ATOM 1877 N GLN H 209 12.006 7.003 24.995 1.00 15.70 N -ATOM 1878 CA GLN H 209 12.394 5.605 24.736 1.00 14.88 C -ATOM 1879 C GLN H 209 13.198 5.123 25.979 1.00 14.89 C -ATOM 1880 O GLN H 209 14.335 5.610 26.103 1.00 16.54 O -ATOM 1881 CB GLN H 209 13.287 5.503 23.502 1.00 12.27 C -ATOM 1882 CG GLN H 209 13.667 4.000 23.353 1.00 13.46 C -ATOM 1883 CD GLN H 209 14.019 3.647 21.937 1.00 14.93 C -ATOM 1884 OE1 GLN H 209 14.070 4.501 21.026 1.00 15.78 O -ATOM 1885 NE2 GLN H 209 14.484 2.419 21.827 1.00 14.59 N -ATOM 1886 N MET H 210 12.585 4.324 26.856 1.00 14.58 N -ATOM 1887 CA MET H 210 13.315 3.845 28.050 1.00 15.49 C -ATOM 1888 C MET H 210 14.131 2.602 27.748 1.00 15.94 C -ATOM 1889 O MET H 210 15.045 2.243 28.541 1.00 16.34 O -ATOM 1890 CB MET H 210 12.391 3.592 29.199 1.00 16.85 C -ATOM 1891 CG MET H 210 11.362 4.674 29.494 1.00 23.27 C -ATOM 1892 SD MET H 210 12.266 6.226 29.699 1.00 27.90 S -ATOM 1893 CE MET H 210 13.236 5.922 31.162 1.00 28.22 C -ATOM 1894 N GLY H 211 13.611 1.796 26.800 1.00 15.07 N -ATOM 1895 CA GLY H 211 14.237 0.442 26.510 1.00 13.15 C -ATOM 1896 C GLY H 211 14.308 0.104 25.077 1.00 13.45 C -ATOM 1897 O GLY H 211 13.704 0.776 24.154 1.00 13.55 O -ATOM 1898 N ILE H 212 15.090 -0.921 24.746 1.00 14.64 N -ATOM 1899 CA ILE H 212 15.277 -1.525 23.425 1.00 14.12 C -ATOM 1900 C ILE H 212 14.935 -3.015 23.593 1.00 15.95 C -ATOM 1901 O ILE H 212 15.480 -3.644 24.522 1.00 13.70 O -ATOM 1902 CB ILE H 212 16.686 -1.368 22.823 1.00 16.36 C -ATOM 1903 CG1 ILE H 212 17.072 0.127 22.640 1.00 14.66 C -ATOM 1904 CG2 ILE H 212 17.034 -2.170 21.544 1.00 16.13 C -ATOM 1905 CD1 ILE H 212 18.572 0.332 22.447 1.00 15.22 C -ATOM 1906 N VAL H 213 14.011 -3.535 22.777 1.00 15.67 N -ATOM 1907 CA VAL H 213 13.686 -4.975 22.804 1.00 15.34 C -ATOM 1908 C VAL H 213 14.986 -5.768 22.680 1.00 13.98 C -ATOM 1909 O VAL H 213 15.723 -5.678 21.661 1.00 13.73 O -ATOM 1910 CB VAL H 213 12.665 -5.348 21.687 1.00 15.73 C -ATOM 1911 CG1 VAL H 213 12.298 -6.865 21.793 1.00 16.34 C -ATOM 1912 CG2 VAL H 213 11.394 -4.538 21.805 1.00 15.61 C -ATOM 1913 N SER H 214 15.321 -6.522 23.721 1.00 15.92 N -ATOM 1914 CA SER H 214 16.606 -7.244 23.739 1.00 17.29 C -ATOM 1915 C SER H 214 16.370 -8.739 23.677 1.00 20.27 C -ATOM 1916 O SER H 214 15.971 -9.239 22.611 1.00 23.50 O -ATOM 1917 CB SER H 214 17.489 -6.809 24.936 1.00 17.97 C -ATOM 1918 OG SER H 214 18.771 -7.411 24.826 1.00 15.12 O -ATOM 1919 N TRP H 215 16.373 -9.530 24.718 1.00 21.61 N -ATOM 1920 CA TRP H 215 16.308 -11.000 24.665 1.00 21.41 C -ATOM 1921 C TRP H 215 15.187 -11.477 25.530 1.00 20.47 C -ATOM 1922 O TRP H 215 14.602 -10.741 26.337 1.00 21.24 O -ATOM 1923 CB TRP H 215 17.699 -11.587 24.986 1.00 22.92 C -ATOM 1924 CG TRP H 215 18.199 -11.273 26.362 1.00 23.45 C -ATOM 1925 CD1 TRP H 215 19.074 -10.274 26.711 1.00 22.58 C -ATOM 1926 CD2 TRP H 215 17.851 -11.927 27.598 1.00 25.62 C -ATOM 1927 NE1 TRP H 215 19.342 -10.299 28.048 1.00 22.18 N -ATOM 1928 CE2 TRP H 215 18.640 -11.318 28.619 1.00 24.65 C -ATOM 1929 CE3 TRP H 215 17.105 -13.065 27.931 1.00 22.87 C -ATOM 1930 CZ2 TRP H 215 18.556 -11.747 29.951 1.00 24.53 C -ATOM 1931 CZ3 TRP H 215 17.065 -13.526 29.224 1.00 21.64 C -ATOM 1932 CH2 TRP H 215 17.766 -12.853 30.252 1.00 23.18 C -ATOM 1933 N GLY H 216 14.785 -12.720 25.303 1.00 21.06 N -ATOM 1934 CA GLY H 216 13.751 -13.323 26.187 1.00 21.45 C -ATOM 1935 C GLY H 216 13.869 -14.830 25.859 1.00 21.97 C -ATOM 1936 O GLY H 216 14.414 -15.179 24.801 1.00 22.20 O -ATOM 1937 N GLU H 217 13.353 -15.568 26.809 1.00 23.37 N -ATOM 1938 CA GLU H 217 13.368 -17.060 26.659 1.00 23.96 C -ATOM 1939 C GLU H 217 11.988 -17.415 26.095 1.00 23.43 C -ATOM 1940 O GLU H 217 10.965 -17.422 26.763 1.00 24.41 O -ATOM 1941 CB GLU H 217 13.615 -17.665 28.015 1.00 27.58 C -ATOM 1942 CG GLU H 217 15.029 -17.356 28.590 1.00 31.78 C -ATOM 1943 CD GLU H 217 15.128 -17.712 30.050 1.00 36.19 C -ATOM 1944 OE1 GLU H 217 14.903 -18.805 30.542 1.00 40.44 O -ATOM 1945 OE2 GLU H 217 15.149 -16.711 30.792 1.00 41.12 O -ATOM 1946 N GLY H 219 12.014 -17.482 24.786 1.00 24.03 N -ATOM 1947 CA GLY H 219 10.776 -17.729 24.010 1.00 24.34 C -ATOM 1948 C GLY H 219 10.003 -16.403 23.954 1.00 24.72 C -ATOM 1949 O GLY H 219 10.623 -15.314 24.083 1.00 22.87 O -ATOM 1950 N CYS H 220 8.679 -16.582 23.893 1.00 23.95 N -ATOM 1951 CA CYS H 220 7.786 -15.425 23.780 1.00 25.50 C -ATOM 1952 C CYS H 220 6.563 -15.668 24.609 1.00 25.92 C -ATOM 1953 O CYS H 220 5.913 -16.678 24.241 1.00 28.14 O -ATOM 1954 CB CYS H 220 7.384 -15.102 22.325 1.00 21.07 C -ATOM 1955 SG CYS H 220 8.613 -15.216 21.059 1.00 26.06 S -ATOM 1956 N ASP H 221 6.170 -14.852 25.540 1.00 25.60 N -ATOM 1957 CA ASP H 221 4.976 -14.957 26.322 1.00 26.54 C -ATOM 1958 C ASP H 221 4.846 -16.216 27.182 1.00 28.22 C -ATOM 1959 O ASP H 221 3.694 -16.718 27.380 1.00 29.09 O -ATOM 1960 CB ASP H 221 3.743 -14.758 25.416 1.00 26.11 C -ATOM 1961 CG ASP H 221 2.528 -14.280 26.194 1.00 26.53 C -ATOM 1962 OD1 ASP H 221 2.656 -13.422 27.083 1.00 26.96 O -ATOM 1963 OD2 ASP H 221 1.405 -14.833 25.996 1.00 29.46 O -ATOM 1964 N ARG H 221A 5.963 -16.715 27.669 1.00 28.59 N -ATOM 1965 CA ARG H 221A 5.953 -17.936 28.522 1.00 28.59 C -ATOM 1966 C ARG H 221A 5.498 -17.610 29.917 1.00 28.58 C -ATOM 1967 O ARG H 221A 6.009 -16.543 30.324 1.00 27.18 O -ATOM 1968 CB ARG H 221A 7.412 -18.400 28.644 1.00 30.21 C -ATOM 1969 CG ARG H 221A 8.072 -18.747 27.335 1.00 32.69 C -ATOM 1970 CD ARG H 221A 7.996 -20.194 27.078 1.00 34.73 C -ATOM 1971 NE ARG H 221A 8.860 -20.645 26.016 1.00 36.26 N -ATOM 1972 CZ ARG H 221A 10.178 -20.730 25.995 1.00 38.23 C -ATOM 1973 NH1 ARG H 221A 10.941 -20.348 27.021 1.00 41.22 N -ATOM 1974 NH2 ARG H 221A 10.779 -21.190 24.894 1.00 37.73 N -ATOM 1975 N ASP H 222 4.704 -18.372 30.668 1.00 30.00 N -ATOM 1976 CA ASP H 222 4.402 -18.026 32.075 1.00 30.15 C -ATOM 1977 C ASP H 222 5.687 -18.059 32.907 1.00 30.39 C -ATOM 1978 O ASP H 222 6.544 -18.925 32.650 1.00 30.96 O -ATOM 1979 CB ASP H 222 3.328 -18.864 32.739 1.00 37.81 C -ATOM 1980 CG ASP H 222 1.955 -18.485 32.154 1.00 42.97 C -ATOM 1981 OD1 ASP H 222 1.933 -17.562 31.316 1.00 44.41 O -ATOM 1982 OD2 ASP H 222 0.973 -19.161 32.511 1.00 47.70 O -ATOM 1983 N GLY H 223 5.756 -17.145 33.856 1.00 29.24 N -ATOM 1984 CA GLY H 223 6.965 -17.012 34.664 1.00 28.19 C -ATOM 1985 C GLY H 223 8.226 -16.554 33.987 1.00 28.00 C -ATOM 1986 O GLY H 223 9.314 -16.472 34.627 1.00 28.96 O -ATOM 1987 N LYS H 224 8.221 -16.215 32.697 1.00 26.23 N -ATOM 1988 CA LYS H 224 9.406 -15.671 32.047 1.00 23.04 C -ATOM 1989 C LYS H 224 9.079 -14.196 31.718 1.00 23.64 C -ATOM 1990 O LYS H 224 7.889 -13.854 31.634 1.00 22.97 O -ATOM 1991 CB LYS H 224 9.752 -16.456 30.829 1.00 26.56 C -ATOM 1992 CG LYS H 224 10.074 -17.956 31.031 1.00 28.42 C -ATOM 1993 CD LYS H 224 11.380 -18.050 31.810 1.00 29.20 C -ATOM 1994 CE LYS H 224 11.998 -19.410 31.889 1.00 30.57 C -ATOM 1995 NZ LYS H 224 13.405 -19.291 32.379 1.00 33.38 N -ATOM 1996 N TYR H 225 10.070 -13.371 31.434 1.00 22.24 N -ATOM 1997 CA TYR H 225 9.903 -11.954 31.154 1.00 21.70 C -ATOM 1998 C TYR H 225 10.780 -11.490 30.008 1.00 20.33 C -ATOM 1999 O TYR H 225 11.925 -11.940 29.746 1.00 22.01 O -ATOM 2000 CB TYR H 225 10.284 -11.085 32.410 1.00 21.47 C -ATOM 2001 CG TYR H 225 9.429 -11.477 33.591 1.00 24.02 C -ATOM 2002 CD1 TYR H 225 8.161 -10.945 33.764 1.00 22.65 C -ATOM 2003 CD2 TYR H 225 9.867 -12.513 34.455 1.00 23.64 C -ATOM 2004 CE1 TYR H 225 7.354 -11.355 34.819 1.00 24.57 C -ATOM 2005 CE2 TYR H 225 9.043 -12.967 35.451 1.00 23.55 C -ATOM 2006 CZ TYR H 225 7.806 -12.393 35.627 1.00 24.15 C -ATOM 2007 OH TYR H 225 6.972 -12.783 36.636 1.00 28.51 O -ATOM 2008 N GLY H 226 10.261 -10.462 29.292 1.00 19.77 N -ATOM 2009 CA GLY H 226 11.081 -9.903 28.175 1.00 18.41 C -ATOM 2010 C GLY H 226 12.167 -8.985 28.809 1.00 17.40 C -ATOM 2011 O GLY H 226 11.864 -8.312 29.790 1.00 16.35 O -ATOM 2012 N PHE H 227 13.333 -9.084 28.215 1.00 19.27 N -ATOM 2013 CA PHE H 227 14.485 -8.240 28.627 1.00 19.23 C -ATOM 2014 C PHE H 227 14.693 -7.115 27.600 1.00 18.29 C -ATOM 2015 O PHE H 227 14.626 -7.328 26.379 1.00 17.68 O -ATOM 2016 CB PHE H 227 15.789 -9.006 28.918 1.00 20.21 C -ATOM 2017 CG PHE H 227 15.671 -9.703 30.269 1.00 20.91 C -ATOM 2018 CD1 PHE H 227 14.890 -10.839 30.404 1.00 21.16 C -ATOM 2019 CD2 PHE H 227 16.318 -9.175 31.412 1.00 22.49 C -ATOM 2020 CE1 PHE H 227 14.715 -11.452 31.649 1.00 22.50 C -ATOM 2021 CE2 PHE H 227 16.201 -9.843 32.664 1.00 19.50 C -ATOM 2022 CZ PHE H 227 15.380 -10.952 32.784 1.00 19.05 C -ATOM 2023 N TYR H 228 15.092 -5.955 28.139 1.00 17.30 N -ATOM 2024 CA TYR H 228 15.278 -4.713 27.387 1.00 15.93 C -ATOM 2025 C TYR H 228 16.570 -4.016 27.778 1.00 16.35 C -ATOM 2026 O TYR H 228 16.918 -3.937 28.965 1.00 15.57 O -ATOM 2027 CB TYR H 228 14.125 -3.749 27.770 1.00 16.02 C -ATOM 2028 CG TYR H 228 12.770 -4.336 27.409 1.00 15.42 C -ATOM 2029 CD1 TYR H 228 12.094 -5.209 28.237 1.00 15.44 C -ATOM 2030 CD2 TYR H 228 12.310 -4.145 26.066 1.00 16.40 C -ATOM 2031 CE1 TYR H 228 10.918 -5.826 27.846 1.00 18.24 C -ATOM 2032 CE2 TYR H 228 11.090 -4.684 25.734 1.00 17.72 C -ATOM 2033 CZ TYR H 228 10.525 -5.651 26.508 1.00 17.58 C -ATOM 2034 OH TYR H 228 9.382 -6.268 26.033 1.00 19.27 O -ATOM 2035 N THR H 229 17.204 -3.456 26.788 1.00 16.21 N -ATOM 2036 CA THR H 229 18.379 -2.605 27.001 1.00 17.99 C -ATOM 2037 C THR H 229 17.927 -1.373 27.795 1.00 18.40 C -ATOM 2038 O THR H 229 16.942 -0.701 27.435 1.00 17.48 O -ATOM 2039 CB THR H 229 19.120 -2.217 25.696 1.00 17.72 C -ATOM 2040 OG1 THR H 229 19.351 -3.490 25.005 1.00 19.01 O -ATOM 2041 CG2 THR H 229 20.470 -1.488 25.935 1.00 18.37 C -ATOM 2042 N HIS H 230 18.788 -0.999 28.758 1.00 18.44 N -ATOM 2043 CA HIS H 230 18.433 0.202 29.608 1.00 18.69 C -ATOM 2044 C HIS H 230 19.066 1.410 28.948 1.00 19.04 C -ATOM 2045 O HIS H 230 20.296 1.633 29.007 1.00 20.71 O -ATOM 2046 CB HIS H 230 19.095 0.073 30.990 1.00 16.82 C -ATOM 2047 CG HIS H 230 18.507 0.939 32.012 1.00 16.75 C -ATOM 2048 ND1 HIS H 230 18.577 2.312 31.982 1.00 19.00 N -ATOM 2049 CD2 HIS H 230 18.071 0.555 33.244 1.00 19.97 C -ATOM 2050 CE1 HIS H 230 18.132 2.763 33.160 1.00 17.82 C -ATOM 2051 NE2 HIS H 230 17.738 1.736 33.896 1.00 18.17 N -ATOM 2052 N VAL H 231 18.211 2.167 28.284 1.00 17.94 N -ATOM 2053 CA VAL H 231 18.756 3.225 27.392 1.00 17.76 C -ATOM 2054 C VAL H 231 19.478 4.290 28.230 1.00 16.78 C -ATOM 2055 O VAL H 231 20.466 4.804 27.702 1.00 16.46 O -ATOM 2056 CB VAL H 231 17.610 3.753 26.442 1.00 14.85 C -ATOM 2057 CG1 VAL H 231 18.145 4.934 25.657 1.00 16.57 C -ATOM 2058 CG2 VAL H 231 17.231 2.612 25.493 1.00 13.66 C -ATOM 2059 N PHE H 232 18.840 4.722 29.296 1.00 18.24 N -ATOM 2060 CA PHE H 232 19.428 5.808 30.098 1.00 19.11 C -ATOM 2061 C PHE H 232 20.842 5.441 30.530 1.00 20.35 C -ATOM 2062 O PHE H 232 21.780 6.247 30.425 1.00 21.42 O -ATOM 2063 CB PHE H 232 18.504 6.185 31.271 1.00 21.76 C -ATOM 2064 CG PHE H 232 19.189 7.338 32.038 1.00 25.25 C -ATOM 2065 CD1 PHE H 232 19.493 8.487 31.289 1.00 26.71 C -ATOM 2066 CD2 PHE H 232 19.814 7.109 33.260 1.00 24.71 C -ATOM 2067 CE1 PHE H 232 20.372 9.451 31.777 1.00 29.08 C -ATOM 2068 CE2 PHE H 232 20.701 8.096 33.775 1.00 26.67 C -ATOM 2069 CZ PHE H 232 20.870 9.305 33.072 1.00 27.66 C -ATOM 2070 N ARG H 233 21.080 4.253 31.029 1.00 21.46 N -ATOM 2071 CA ARG H 233 22.455 3.864 31.445 1.00 22.63 C -ATOM 2072 C ARG H 233 23.455 3.962 30.319 1.00 24.00 C -ATOM 2073 O ARG H 233 24.683 3.908 30.601 1.00 24.83 O -ATOM 2074 CB ARG H 233 22.536 2.386 31.817 1.00 26.80 C -ATOM 2075 CG ARG H 233 21.602 2.102 32.977 1.00 31.43 C -ATOM 2076 CD ARG H 233 22.298 1.106 33.854 1.00 39.44 C -ATOM 2077 NE ARG H 233 23.023 1.841 34.843 1.00 44.21 N -ATOM 2078 CZ ARG H 233 24.240 1.600 35.361 1.00 46.27 C -ATOM 2079 NH1 ARG H 233 25.063 0.637 34.944 1.00 45.00 N -ATOM 2080 NH2 ARG H 233 24.428 2.304 36.492 1.00 46.61 N -ATOM 2081 N LEU H 234 23.073 3.788 29.066 1.00 23.29 N -ATOM 2082 CA LEU H 234 24.046 3.851 27.964 1.00 23.68 C -ATOM 2083 C LEU H 234 24.018 5.171 27.239 1.00 23.98 C -ATOM 2084 O LEU H 234 24.509 5.281 26.110 1.00 26.02 O -ATOM 2085 CB LEU H 234 23.797 2.636 27.041 1.00 24.51 C -ATOM 2086 CG LEU H 234 23.908 1.295 27.764 1.00 25.18 C -ATOM 2087 CD1 LEU H 234 23.276 0.178 26.942 1.00 27.29 C -ATOM 2088 CD2 LEU H 234 25.397 1.026 27.852 1.00 28.04 C -ATOM 2089 N LYS H 235 23.302 6.118 27.762 1.00 25.54 N -ATOM 2090 CA LYS H 235 23.039 7.463 27.216 1.00 27.14 C -ATOM 2091 C LYS H 235 24.346 8.210 26.969 1.00 28.38 C -ATOM 2092 O LYS H 235 24.494 8.948 25.948 1.00 28.59 O -ATOM 2093 CB LYS H 235 22.048 8.129 28.128 1.00 27.97 C -ATOM 2094 CG LYS H 235 21.566 9.565 27.994 1.00 34.05 C -ATOM 2095 CD LYS H 235 21.240 9.920 26.560 1.00 33.87 C -ATOM 2096 CE LYS H 235 20.053 10.843 26.471 1.00 35.56 C -ATOM 2097 NZ LYS H 235 20.077 11.883 27.522 1.00 34.84 N -ATOM 2098 N LYS H 236 25.338 7.972 27.828 1.00 28.43 N -ATOM 2099 CA LYS H 236 26.609 8.661 27.621 1.00 29.39 C -ATOM 2100 C LYS H 236 27.294 8.131 26.381 1.00 28.78 C -ATOM 2101 O LYS H 236 27.843 8.964 25.615 1.00 29.42 O -ATOM 2102 CB LYS H 236 27.488 8.755 28.835 1.00 36.70 C -ATOM 2103 CG LYS H 236 27.062 9.814 29.845 1.00 44.54 C -ATOM 2104 CD LYS H 236 26.357 9.339 31.095 1.00 49.94 C -ATOM 2105 CE LYS H 236 24.954 8.761 30.966 1.00 50.00 C -ATOM 2106 NZ LYS H 236 23.879 9.805 30.971 1.00 50.00 N -ATOM 2107 N TRP H 237 27.279 6.834 26.140 1.00 27.50 N -ATOM 2108 CA TRP H 237 27.853 6.262 24.899 1.00 27.00 C -ATOM 2109 C TRP H 237 27.170 6.860 23.653 1.00 26.78 C -ATOM 2110 O TRP H 237 27.843 7.154 22.643 1.00 27.80 O -ATOM 2111 CB TRP H 237 27.685 4.720 24.902 1.00 25.21 C -ATOM 2112 CG TRP H 237 28.157 4.119 23.614 1.00 25.89 C -ATOM 2113 CD1 TRP H 237 29.444 4.098 23.141 1.00 23.70 C -ATOM 2114 CD2 TRP H 237 27.341 3.601 22.545 1.00 25.64 C -ATOM 2115 NE1 TRP H 237 29.505 3.527 21.904 1.00 25.80 N -ATOM 2116 CE2 TRP H 237 28.230 3.228 21.499 1.00 24.71 C -ATOM 2117 CE3 TRP H 237 25.958 3.475 22.390 1.00 23.90 C -ATOM 2118 CZ2 TRP H 237 27.810 2.721 20.276 1.00 23.56 C -ATOM 2119 CZ3 TRP H 237 25.546 2.987 21.163 1.00 21.47 C -ATOM 2120 CH2 TRP H 237 26.424 2.600 20.159 1.00 23.81 C -ATOM 2121 N ILE H 238 25.843 6.904 23.678 1.00 27.04 N -ATOM 2122 CA ILE H 238 25.022 7.476 22.575 1.00 27.13 C -ATOM 2123 C ILE H 238 25.518 8.870 22.196 1.00 27.57 C -ATOM 2124 O ILE H 238 25.970 9.191 21.090 1.00 27.64 O -ATOM 2125 CB ILE H 238 23.513 7.487 23.012 1.00 23.82 C -ATOM 2126 CG1 ILE H 238 22.933 6.052 22.959 1.00 23.24 C -ATOM 2127 CG2 ILE H 238 22.678 8.459 22.104 1.00 26.70 C -ATOM 2128 CD1 ILE H 238 21.632 5.969 23.762 1.00 24.69 C -ATOM 2129 N GLN H 239 25.455 9.759 23.165 1.00 30.12 N -ATOM 2130 CA GLN H 239 25.921 11.150 23.065 1.00 31.99 C -ATOM 2131 C GLN H 239 27.296 11.275 22.450 1.00 32.31 C -ATOM 2132 O GLN H 239 27.544 12.030 21.522 1.00 32.04 O -ATOM 2133 CB GLN H 239 26.025 11.806 24.444 1.00 35.28 C -ATOM 2134 CG GLN H 239 24.770 12.622 24.647 1.00 42.04 C -ATOM 2135 CD GLN H 239 24.490 12.986 26.084 1.00 46.44 C -ATOM 2136 OE1 GLN H 239 23.428 13.584 26.295 1.00 48.42 O -ATOM 2137 NE2 GLN H 239 25.367 12.702 27.063 1.00 48.82 N -ATOM 2138 N LYS H 240 28.191 10.559 23.100 1.00 33.25 N -ATOM 2139 CA LYS H 240 29.596 10.420 22.676 1.00 33.60 C -ATOM 2140 C LYS H 240 29.731 10.112 21.195 1.00 34.00 C -ATOM 2141 O LYS H 240 30.583 10.732 20.513 1.00 34.53 O -ATOM 2142 CB LYS H 240 30.217 9.269 23.476 1.00 34.31 C -ATOM 2143 CG LYS H 240 31.742 9.249 23.508 1.00 37.90 C -ATOM 2144 N VAL H 241 28.926 9.153 20.709 1.00 33.64 N -ATOM 2145 CA VAL H 241 28.999 8.741 19.324 1.00 33.05 C -ATOM 2146 C VAL H 241 28.359 9.804 18.418 1.00 33.53 C -ATOM 2147 O VAL H 241 28.896 10.054 17.322 1.00 33.11 O -ATOM 2148 CB VAL H 241 28.648 7.315 18.956 1.00 33.29 C -ATOM 2149 CG1 VAL H 241 28.289 6.268 19.969 1.00 33.67 C -ATOM 2150 CG2 VAL H 241 27.639 7.334 17.799 1.00 34.60 C -ATOM 2151 N ILE H 242 27.310 10.456 18.818 1.00 35.14 N -ATOM 2152 CA ILE H 242 26.679 11.539 18.001 1.00 37.27 C -ATOM 2153 C ILE H 242 27.553 12.797 18.055 1.00 39.35 C -ATOM 2154 O ILE H 242 27.797 13.445 17.005 1.00 40.00 O -ATOM 2155 CB ILE H 242 25.194 11.697 18.447 1.00 34.52 C -ATOM 2156 CG1 ILE H 242 24.400 10.420 18.058 1.00 33.64 C -ATOM 2157 CG2 ILE H 242 24.484 12.977 17.951 1.00 32.97 C -ATOM 2158 CD1 ILE H 242 23.062 10.262 18.853 1.00 32.31 C -ATOM 2159 N ASP H 243 28.138 13.146 19.196 1.00 41.05 N -ATOM 2160 CA ASP H 243 29.080 14.267 19.258 1.00 43.27 C -ATOM 2161 C ASP H 243 30.286 13.950 18.365 1.00 44.57 C -ATOM 2162 O ASP H 243 30.659 14.831 17.559 1.00 45.86 O -ATOM 2163 CB ASP H 243 29.624 14.621 20.630 1.00 47.72 C -ATOM 2164 CG ASP H 243 28.530 15.146 21.552 1.00 50.00 C -ATOM 2165 OD1 ASP H 243 27.399 15.313 21.003 1.00 50.00 O -ATOM 2166 OD2 ASP H 243 28.795 15.258 22.776 1.00 50.00 O -ATOM 2167 N GLN H 244 30.861 12.781 18.536 1.00 44.73 N -ATOM 2168 CA GLN H 244 32.085 12.372 17.843 1.00 45.43 C -ATOM 2169 C GLN H 244 31.893 11.457 16.657 1.00 46.22 C -ATOM 2170 O GLN H 244 31.622 11.923 15.525 1.00 46.88 O -TER 2171 GLN H 244 -ATOM 2172 N ASP I 355 5.927 -12.350 2.503 1.00 43.25 N -ATOM 2173 CA ASP I 355 5.591 -11.903 1.133 1.00 41.60 C -ATOM 2174 C ASP I 355 5.597 -10.379 1.037 1.00 40.34 C -ATOM 2175 O ASP I 355 4.603 -9.664 0.921 1.00 40.14 O -ATOM 2176 N PHE I 356 6.791 -9.868 0.966 1.00 39.71 N -ATOM 2177 CA PHE I 356 7.082 -8.454 0.828 1.00 39.82 C -ATOM 2178 C PHE I 356 6.772 -7.973 -0.592 1.00 40.48 C -ATOM 2179 O PHE I 356 7.266 -8.489 -1.617 1.00 40.62 O -ATOM 2180 CB PHE I 356 8.537 -8.206 1.283 1.00 39.04 C -ATOM 2181 CG PHE I 356 8.581 -8.166 2.793 1.00 39.60 C -ATOM 2182 CD1 PHE I 356 8.716 -9.333 3.523 1.00 39.08 C -ATOM 2183 CD2 PHE I 356 8.334 -6.961 3.468 1.00 39.51 C -ATOM 2184 CE1 PHE I 356 8.626 -9.361 4.910 1.00 38.55 C -ATOM 2185 CE2 PHE I 356 8.281 -6.966 4.870 1.00 40.91 C -ATOM 2186 CZ PHE I 356 8.395 -8.175 5.594 1.00 36.84 C -ATOM 2187 N GLU I 357 6.086 -6.846 -0.632 1.00 40.43 N -ATOM 2188 CA GLU I 357 5.814 -6.112 -1.877 1.00 41.12 C -ATOM 2189 C GLU I 357 7.139 -5.467 -2.281 1.00 41.45 C -ATOM 2190 O GLU I 357 7.971 -5.002 -1.496 1.00 41.97 O -ATOM 2191 CB GLU I 357 4.752 -5.053 -1.745 1.00 42.96 C -ATOM 2192 CG GLU I 357 3.774 -4.690 -2.826 1.00 44.81 C -ATOM 2193 CD GLU I 357 3.513 -3.238 -3.102 1.00 46.56 C -ATOM 2194 OE1 GLU I 357 3.364 -2.632 -2.025 1.00 45.88 O -ATOM 2195 OE2 GLU I 357 3.416 -2.667 -4.193 1.00 47.58 O -ATOM 2196 N GLU I 358 7.434 -5.615 -3.547 1.00 41.89 N -ATOM 2197 CA GLU I 358 8.623 -5.111 -4.219 1.00 42.70 C -ATOM 2198 C GLU I 358 8.738 -3.592 -3.978 1.00 42.96 C -ATOM 2199 O GLU I 358 7.803 -2.806 -4.186 1.00 42.67 O -ATOM 2200 N ILE I 359 9.977 -3.259 -3.615 1.00 43.18 N -ATOM 2201 CA ILE I 359 10.346 -1.867 -3.363 1.00 43.32 C -ATOM 2202 C ILE I 359 11.064 -1.324 -4.580 1.00 44.14 C -ATOM 2203 O ILE I 359 11.676 -2.092 -5.332 1.00 44.53 O -ATOM 2204 CB ILE I 359 11.067 -1.723 -1.986 1.00 41.92 C -ATOM 2205 CG1 ILE I 359 12.497 -2.300 -1.998 1.00 41.57 C -ATOM 2206 CG2 ILE I 359 10.222 -2.298 -0.823 1.00 42.21 C -ATOM 2207 CD1 ILE I 359 13.559 -1.163 -2.131 1.00 43.09 C -ATOM 2208 N PRO I 360 10.985 -0.014 -4.775 1.00 45.10 N -ATOM 2209 CA PRO I 360 11.658 0.659 -5.880 1.00 44.86 C -ATOM 2210 C PRO I 360 13.165 0.420 -5.931 1.00 45.08 C -ATOM 2211 O PRO I 360 13.998 0.516 -5.005 1.00 44.61 O -ATOM 2212 CB PRO I 360 11.274 2.123 -5.755 1.00 45.05 C -ATOM 2213 CG PRO I 360 10.338 2.256 -4.597 1.00 45.46 C -ATOM 2214 CD PRO I 360 10.204 0.915 -3.936 1.00 44.98 C -ATOM 2215 N GLU I 361 13.537 0.175 -7.196 1.00 44.77 N -ATOM 2216 CA GLU I 361 14.921 -0.125 -7.592 1.00 44.32 C -ATOM 2217 C GLU I 361 15.814 1.037 -7.161 1.00 43.90 C -ATOM 2218 O GLU I 361 16.963 0.824 -6.758 1.00 43.26 O -ATOM 2219 CB GLU I 361 14.914 -0.432 -9.091 1.00 45.26 C -ATOM 2220 N GLU I 362 15.227 2.220 -7.265 1.00 43.67 N -ATOM 2221 CA GLU I 362 15.848 3.489 -6.866 1.00 44.27 C -ATOM 2222 C GLU I 362 16.526 3.246 -5.518 1.00 45.26 C -ATOM 2223 O GLU I 362 17.547 3.893 -5.212 1.00 46.91 O -ATOM 2224 CB GLU I 362 14.847 4.613 -6.620 1.00 42.51 C -HETATM 2225 N TYS I 363 15.901 2.361 -4.748 1.00 44.75 N -HETATM 2226 CA TYS I 363 16.482 2.005 -3.448 1.00 44.52 C -HETATM 2227 CB TYS I 363 15.434 1.805 -2.340 1.00 42.26 C -HETATM 2228 CG TYS I 363 14.580 3.049 -2.234 1.00 39.78 C -HETATM 2229 CD1 TYS I 363 15.156 4.304 -2.015 1.00 37.81 C -HETATM 2230 CD2 TYS I 363 13.219 2.924 -2.545 1.00 40.71 C -HETATM 2231 CE1 TYS I 363 14.343 5.432 -2.005 1.00 38.74 C -HETATM 2232 CE2 TYS I 363 12.411 4.063 -2.563 1.00 40.45 C -HETATM 2233 CZ TYS I 363 12.986 5.299 -2.287 1.00 39.69 C -HETATM 2234 OH TYS I 363 12.107 6.361 -2.265 1.00 42.68 O -HETATM 2235 S TYS I 363 11.153 6.571 -0.919 1.00 44.01 S -HETATM 2236 O1 TYS I 363 10.528 5.299 -0.666 1.00 41.40 O -HETATM 2237 O2 TYS I 363 12.111 7.170 -0.043 1.00 42.83 O -HETATM 2238 O3 TYS I 363 10.170 7.609 -1.318 1.00 44.90 O -HETATM 2239 C TYS I 363 17.330 0.734 -3.630 1.00 44.39 C -HETATM 2240 O TYS I 363 18.126 0.587 -2.682 1.00 44.82 O -TER 2241 TYS I 363 -HETATM 2242 NA NA H 541 5.845 -14.122 30.560 0.88 23.48 NA -HETATM 2243 NA NA H 542 18.411 -16.475 38.464 0.88 24.77 NA -HETATM 2244 C1 ANS H 373 17.735 -17.178 22.612 1.00 26.29 C -HETATM 2245 C2 ANS H 373 18.543 -17.350 21.462 1.00 26.22 C -HETATM 2246 C3 ANS H 373 19.877 -17.046 21.558 1.00 26.06 C -HETATM 2247 C4 ANS H 373 20.401 -16.566 22.766 1.00 26.60 C -HETATM 2248 C4A ANS H 373 19.613 -16.358 23.893 1.00 27.46 C -HETATM 2249 C5 ANS H 373 20.084 -15.791 25.046 1.00 28.32 C -HETATM 2250 C6 ANS H 373 19.241 -15.568 26.114 1.00 27.47 C -HETATM 2251 C7 ANS H 373 17.893 -15.971 26.028 1.00 27.79 C -HETATM 2252 C8 ANS H 373 17.370 -16.510 24.879 1.00 26.51 C -HETATM 2253 C8A ANS H 373 18.205 -16.689 23.809 1.00 26.70 C -HETATM 2254 N ANS H 373 21.383 -15.285 25.104 1.00 29.72 N -HETATM 2255 CM1 ANS H 373 21.898 -14.217 24.214 1.00 30.75 C -HETATM 2256 CM2 ANS H 373 22.635 -16.213 25.496 1.00 31.28 C -HETATM 2257 S ANS H 373 15.909 -17.581 22.417 1.00 26.82 S -HETATM 2258 O1S ANS H 373 15.988 -18.013 21.010 1.00 27.08 O -HETATM 2259 O2S ANS H 373 14.998 -18.191 23.402 1.00 25.52 O -HETATM 2260 N DAR H 350 14.893 -15.970 22.485 1.00 26.45 N -HETATM 2261 CA DAR H 350 15.193 -15.114 21.296 1.00 26.19 C -HETATM 2262 CB DAR H 350 13.942 -14.354 20.879 1.00 23.76 C -HETATM 2263 CG DAR H 350 13.232 -13.686 22.058 1.00 25.01 C -HETATM 2264 CD DAR H 350 11.892 -13.133 21.595 1.00 23.01 C -HETATM 2265 NE DAR H 350 11.218 -12.647 22.780 1.00 21.45 N -HETATM 2266 CZ DAR H 350 11.457 -11.554 23.483 1.00 20.16 C -HETATM 2267 NH1 DAR H 350 12.359 -10.674 23.045 1.00 20.04 N -HETATM 2268 NH2 DAR H 350 10.723 -11.336 24.566 1.00 20.85 N -HETATM 2269 C DAR H 350 16.307 -14.167 21.752 1.00 26.27 C -HETATM 2270 O DAR H 350 16.212 -13.781 22.914 1.00 24.70 O -HETATM 2271 N1 2EP H 375 17.280 -13.692 20.830 1.00 27.91 N -HETATM 2272 C2 2EP H 375 17.043 -14.033 19.327 1.00 30.31 C -HETATM 2273 C3 2EP H 375 18.421 -14.472 18.809 1.00 29.73 C -HETATM 2274 C4 2EP H 375 19.610 -13.417 19.194 1.00 29.33 C -HETATM 2275 C5 2EP H 375 19.696 -13.083 20.765 1.00 28.57 C -HETATM 2276 C6 2EP H 375 18.351 -12.680 21.310 1.00 28.50 C -HETATM 2277 C1' 2EP H 375 16.593 -13.014 18.550 1.00 33.08 C -HETATM 2278 C2' 2EP H 375 15.941 -13.425 17.179 1.00 37.01 C -HETATM 2279 S1 KTH H 377 15.783 -14.904 14.458 1.00 43.62 S -HETATM 2280 O2 KTH H 377 17.488 -11.922 16.287 1.00 41.38 O -HETATM 2281 C5 KTH H 377 17.059 -15.583 13.508 1.00 43.74 C -HETATM 2282 C2 KTH H 377 16.864 -13.556 14.739 1.00 42.63 C -HETATM 2283 C2' KTH H 377 16.825 -12.903 16.107 1.00 40.59 C -HETATM 2284 C4 KTH H 377 18.146 -14.734 13.451 1.00 43.96 C -HETATM 2285 N3 KTH H 377 18.049 -13.554 14.106 1.00 43.46 N -HETATM 2286 O HOH L 382 -2.186 12.007 23.167 0.90 17.26 O -HETATM 2287 O HOH L 391 -6.499 6.251 26.260 0.86 24.38 O -HETATM 2288 O HOH L 408 -2.832 0.680 34.246 0.94 22.88 O -HETATM 2289 O HOH L 415 -0.735 17.659 13.256 0.76 29.50 O -HETATM 2290 O HOH L 462 -5.346 10.830 15.123 0.84 22.60 O -HETATM 2291 O HOH L 473 -7.752 10.467 18.879 0.76 33.07 O -HETATM 2292 O HOH L 477 -9.147 11.575 21.805 0.68 32.97 O -HETATM 2293 O HOH L 499 13.747 17.928 20.285 0.79 31.55 O -HETATM 2294 O HOH L 502 -6.368 12.885 13.346 0.66 31.96 O -HETATM 2295 O HOH L 505 -2.657 14.587 24.146 0.67 34.53 O -HETATM 2296 O HOH L 522 10.181 19.049 14.680 0.84 34.64 O -HETATM 2297 O HOH L 538 2.002 20.039 21.193 0.68 36.00 O -HETATM 2298 O HOH L 540 -2.339 21.587 16.215 0.55 35.61 O -HETATM 2299 O HOH H 380 1.813 10.969 14.408 0.94 20.02 O -HETATM 2300 O HOH H 381 16.385 3.824 30.360 0.95 13.91 O -HETATM 2301 O HOH H 383 3.814 -7.977 16.028 0.86 18.54 O -HETATM 2302 O HOH H 384 1.093 2.746 12.499 0.87 25.44 O -HETATM 2303 O HOH H 385 14.939 1.085 19.284 0.93 13.44 O -HETATM 2304 O HOH H 386 8.362 -8.386 27.504 0.96 14.38 O -HETATM 2305 O HOH H 387 8.401 2.254 9.841 0.92 16.62 O -HETATM 2306 O HOH H 389 10.023 -3.869 16.939 0.92 13.76 O -HETATM 2307 O HOH H 390 9.616 -5.258 14.317 0.88 13.63 O -HETATM 2308 O HOH H 392 20.594 -6.523 27.140 0.88 21.14 O -HETATM 2309 O HOH H 393 7.650 -4.255 0.933 0.93 21.25 O -HETATM 2310 O HOH H 394 21.881 -4.320 27.824 0.90 21.37 O -HETATM 2311 O HOH H 395 12.132 -8.387 25.245 0.98 17.25 O -HETATM 2312 O HOH H 396 3.090 4.988 21.070 0.98 20.42 O -HETATM 2313 O HOH H 397 5.777 10.505 5.262 0.93 20.70 O -HETATM 2314 O HOH H 398 16.303 16.088 14.395 0.79 28.25 O -HETATM 2315 O HOH H 399 -2.351 -7.412 11.758 0.84 29.96 O -HETATM 2316 O HOH H 400 12.925 -14.576 32.221 0.93 19.89 O -HETATM 2317 O HOH H 401 15.812 -6.714 35.759 0.84 32.50 O -HETATM 2318 O HOH H 402 15.205 12.447 20.261 0.90 25.06 O -HETATM 2319 O HOH H 403 4.529 -14.608 33.114 0.97 20.98 O -HETATM 2320 O HOH H 404 25.181 -15.834 23.184 0.92 26.81 O -HETATM 2321 O HOH H 405 0.074 -13.559 33.119 0.90 27.79 O -HETATM 2322 O HOH H 406 4.211 -7.518 36.488 0.87 23.37 O -HETATM 2323 O HOH H 407 3.187 7.670 -6.324 0.80 23.95 O -HETATM 2324 O HOH H 409 14.544 -10.660 20.770 0.91 22.30 O -HETATM 2325 O HOH H 410 8.914 -15.553 27.347 0.94 23.52 O -HETATM 2326 O HOH H 411 0.689 -10.424 6.785 0.68 36.20 O -HETATM 2327 O HOH H 412 21.620 -12.234 37.726 0.85 25.31 O -HETATM 2328 O HOH H 413 15.367 -10.611 14.133 0.90 26.14 O -HETATM 2329 O HOH H 414 7.623 5.524 11.550 0.88 20.63 O -HETATM 2330 O HOH H 416 -1.607 -4.544 29.147 0.75 32.72 O -HETATM 2331 O HOH H 417 24.945 -15.533 32.068 0.82 27.47 O -HETATM 2332 O HOH H 418 14.160 -10.783 16.489 0.82 30.17 O -HETATM 2333 O HOH H 420 -4.575 8.264 13.761 0.85 25.62 O -HETATM 2334 O HOH H 421 -6.064 4.365 12.894 0.74 27.63 O -HETATM 2335 O HOH H 422 19.857 0.208 36.472 0.70 34.94 O -HETATM 2336 O HOH H 423 3.131 16.501 10.377 0.66 33.10 O -HETATM 2337 O HOH H 424 32.607 -7.961 10.226 0.78 32.76 O -HETATM 2338 O HOH H 425 26.817 5.390 28.841 0.74 31.70 O -HETATM 2339 O HOH H 426 6.669 1.429 21.293 0.95 18.31 O -HETATM 2340 O HOH H 427 1.063 -7.061 5.588 0.72 34.75 O -HETATM 2341 O HOH H 428 -0.949 -18.241 33.801 0.64 36.40 O -HETATM 2342 O HOH H 429 2.796 4.090 13.967 0.93 20.86 O -HETATM 2343 O HOH H 430 29.999 -16.412 13.515 0.68 33.87 O -HETATM 2344 O HOH H 431 5.409 3.833 11.980 0.85 18.73 O -HETATM 2345 O HOH H 432 7.370 7.389 -0.375 0.82 27.42 O -HETATM 2346 O HOH H 434 27.903 -6.211 12.365 0.84 31.83 O -HETATM 2347 O HOH H 436 1.996 -15.245 32.139 0.93 27.12 O -HETATM 2348 O HOH H 438 6.265 -10.722 28.912 0.94 20.72 O -HETATM 2349 O HOH H 439 16.113 13.324 22.882 0.88 22.43 O -HETATM 2350 O HOH H 440 24.651 -17.148 29.004 0.64 39.96 O -HETATM 2351 O HOH H 441 28.911 12.251 13.580 0.87 32.05 O -HETATM 2352 O HOH H 442 5.559 3.579 20.467 0.90 22.54 O -HETATM 2353 O HOH H 443 1.815 5.253 8.116 0.87 20.87 O -HETATM 2354 O HOH H 444 21.422 -5.982 37.960 0.82 26.02 O -HETATM 2355 O HOH H 445 29.292 -7.973 30.599 0.81 29.45 O -HETATM 2356 O HOH H 446 -7.715 7.082 19.406 0.82 27.11 O -HETATM 2357 O HOH H 447 14.062 -11.105 -1.969 0.67 34.94 O -HETATM 2358 O HOH H 448 15.277 -19.664 25.648 0.65 37.50 O -HETATM 2359 O HOH H 449 -0.853 1.030 4.269 0.70 27.95 O -HETATM 2360 O HOH H 450 32.888 -10.346 14.131 0.82 35.98 O -HETATM 2361 O HOH H 451 0.950 10.152 1.699 0.73 37.79 O -HETATM 2362 O HOH H 452 19.166 7.145 1.282 0.62 30.72 O -HETATM 2363 O HOH H 453 17.180 9.503 4.255 0.66 31.93 O -HETATM 2364 O HOH H 454 3.642 6.483 11.661 0.92 19.48 O -HETATM 2365 O HOH H 455 24.301 1.596 2.325 0.70 35.33 O -HETATM 2366 O HOH H 457 7.596 -10.828 8.942 0.80 31.14 O -HETATM 2367 O HOH H 458 10.899 -14.831 39.191 0.83 23.63 O -HETATM 2368 O HOH H 459 22.571 -13.676 8.906 0.73 34.74 O -HETATM 2369 O HOH H 460 5.936 -11.920 31.531 0.88 20.50 O -HETATM 2370 O HOH H 461 5.340 -5.328 37.799 0.94 25.05 O -HETATM 2371 O HOH H 463 -2.383 -10.736 18.729 0.80 28.69 O -HETATM 2372 O HOH H 464 3.664 -13.838 29.679 0.89 22.25 O -HETATM 2373 O HOH H 465 17.256 -19.618 32.257 0.80 24.79 O -HETATM 2374 O HOH H 466 6.501 15.500 12.333 0.86 21.77 O -HETATM 2375 O HOH H 467 20.123 -18.121 38.688 0.88 24.92 O -HETATM 2376 O HOH H 468 13.249 -4.700 35.811 0.85 26.09 O -HETATM 2377 O HOH H 469 6.391 19.482 26.474 0.78 27.79 O -HETATM 2378 O HOH H 470 -3.777 -10.485 27.771 0.83 30.96 O -HETATM 2379 O HOH H 471 10.193 -13.387 26.529 0.85 26.96 O -HETATM 2380 O HOH H 472 4.857 20.515 24.462 0.63 35.16 O -HETATM 2381 O HOH H 474 31.836 9.263 14.470 0.74 36.70 O -HETATM 2382 O HOH H 475 5.370 -19.740 24.501 0.77 29.99 O -HETATM 2383 O HOH H 478 1.589 5.204 10.753 0.83 24.27 O -HETATM 2384 O HOH H 479 -3.518 15.224 9.901 0.69 37.14 O -HETATM 2385 O HOH H 480 31.959 3.699 20.190 0.67 34.44 O -HETATM 2386 O HOH H 481 14.716 -2.310 36.800 0.73 30.39 O -HETATM 2387 O HOH H 482 -2.907 -3.597 22.983 0.72 32.83 O -HETATM 2388 O HOH H 484 19.505 13.761 24.244 0.65 36.65 O -HETATM 2389 O HOH H 485 14.623 16.232 8.745 0.68 36.32 O -HETATM 2390 O HOH H 486 3.387 11.876 3.915 0.67 33.95 O -HETATM 2391 O HOH H 487 14.677 16.851 34.263 0.78 36.21 O -HETATM 2392 O HOH H 488 -1.633 -4.110 25.675 0.76 28.36 O -HETATM 2393 O HOH H 489 22.492 -19.194 37.077 0.75 34.87 O -HETATM 2394 O HOH H 490 3.114 -10.859 29.999 0.85 20.94 O -HETATM 2395 O HOH H 491 30.955 -0.799 15.385 0.67 29.37 O -HETATM 2396 O HOH H 492 14.544 16.387 17.240 0.81 33.68 O -HETATM 2397 O HOH H 493 30.946 -13.280 29.808 0.77 32.40 O -HETATM 2398 O HOH H 494 0.858 -2.123 36.544 0.75 32.41 O -HETATM 2399 O HOH H 495 11.872 -19.085 38.908 0.64 33.49 O -HETATM 2400 O HOH H 496 11.256 -0.334 41.111 0.64 32.86 O -HETATM 2401 O HOH H 497 6.630 -13.314 28.665 0.79 26.15 O -HETATM 2402 O HOH H 498 6.971 -14.847 38.245 0.81 29.40 O -HETATM 2403 O HOH H 500 9.471 14.045 32.146 0.75 28.72 O -HETATM 2404 O HOH H 501 28.642 2.886 28.015 0.69 28.92 O -HETATM 2405 O HOH H 503 25.817 -11.568 39.190 0.74 32.96 O -HETATM 2406 O HOH H 506 3.607 -17.230 22.507 0.73 32.98 O -HETATM 2407 O HOH H 507 -0.663 4.541 6.295 1.00 24.17 O -HETATM 2408 O HOH H 508 24.714 -11.941 8.382 0.70 30.24 O -HETATM 2409 O HOH H 509 -0.350 -9.147 18.833 0.83 25.18 O -HETATM 2410 O HOH H 510 16.970 -11.972 43.163 0.68 31.98 O -HETATM 2411 O HOH H 511 -5.488 0.294 12.786 0.72 31.61 O -HETATM 2412 O HOH H 512 20.354 13.385 32.573 0.78 27.89 O -HETATM 2413 O HOH H 513 26.864 -20.659 13.622 0.83 28.13 O -HETATM 2414 O HOH H 514 7.226 -10.990 11.150 0.81 27.39 O -HETATM 2415 O HOH H 515 19.942 -14.579 37.013 0.86 26.54 O -HETATM 2416 O HOH H 516 -6.376 6.686 15.420 0.69 34.01 O -HETATM 2417 O HOH H 517 0.178 14.623 33.848 0.75 31.63 O -HETATM 2418 O HOH H 518 18.542 -15.573 40.829 0.68 27.94 O -HETATM 2419 O HOH H 519 26.740 -8.931 36.434 0.70 30.49 O -HETATM 2420 O HOH H 520 -6.460 -5.537 17.066 0.64 32.12 O -HETATM 2421 O HOH H 521 27.922 -4.921 33.042 0.64 25.94 O -HETATM 2422 O HOH H 523 2.630 14.339 6.548 0.58 32.73 O -HETATM 2423 O HOH H 524 24.336 14.702 14.426 0.70 34.63 O -HETATM 2424 O HOH H 525 11.647 -13.025 43.134 0.71 31.92 O -HETATM 2425 O HOH H 526 7.115 8.602 39.737 0.65 37.74 O -HETATM 2426 O HOH H 527 25.865 3.874 33.265 0.75 34.33 O -HETATM 2427 O HOH H 528 15.344 14.431 25.091 0.70 35.78 O -HETATM 2428 O HOH H 529 6.543 -14.164 40.573 0.65 36.55 O -HETATM 2429 O HOH H 530 25.575 -4.781 36.429 0.72 30.08 O -HETATM 2430 O HOH H 532 14.122 -13.457 12.458 0.64 35.74 O -HETATM 2431 O HOH H 533 24.351 5.437 34.700 0.64 36.55 O -HETATM 2432 O HOH H 534 -0.686 -13.240 19.682 0.86 28.78 O -HETATM 2433 O HOH H 535 -1.206 -4.591 5.649 0.78 28.79 O -HETATM 2434 O HOH H 536 13.206 -14.279 29.407 0.71 30.80 O -HETATM 2435 O HOH H 537 -2.598 4.392 5.799 0.75 31.14 O -HETATM 2436 O HOH H 539 -3.831 -8.311 16.748 0.54 35.52 O -HETATM 2437 O HOH I 419 6.088 -6.742 -5.945 0.69 36.27 O -HETATM 2438 O HOH I 435 19.465 -0.591 -4.485 0.86 32.34 O -HETATM 2439 O HOH I 476 17.363 -2.130 -4.218 0.81 33.83 O -HETATM 2440 O HOH I 483 3.412 -7.820 -4.837 0.71 33.73 O -HETATM 2441 O HOH I 504 2.248 -0.438 -3.180 0.72 30.61 O -HETATM 2442 O HOH I 531 18.375 0.274 -9.656 0.67 37.49 O -CONECT 14 1168 -CONECT 423 541 -CONECT 541 423 -CONECT 1168 14 -CONECT 1509 1625 -CONECT 1513 2243 -CONECT 1536 2243 -CONECT 1625 1509 -CONECT 1722 1955 -CONECT 1955 1722 -CONECT 1967 2242 -CONECT 1990 2242 -CONECT 2222 2225 -CONECT 2225 2222 2226 -CONECT 2226 2225 2227 2239 -CONECT 2227 2226 2228 -CONECT 2228 2227 2229 2230 -CONECT 2229 2228 2231 -CONECT 2230 2228 2232 -CONECT 2231 2229 2233 -CONECT 2232 2230 2233 -CONECT 2233 2231 2232 2234 -CONECT 2234 2233 2235 -CONECT 2235 2234 2236 2237 2238 -CONECT 2236 2235 -CONECT 2237 2235 -CONECT 2238 2235 -CONECT 2239 2226 2240 -CONECT 2240 2239 -CONECT 2242 1967 1990 2319 2369 -CONECT 2242 2372 2401 -CONECT 2243 1513 1536 2375 2415 -CONECT 2243 2418 -CONECT 2244 2245 2253 2257 -CONECT 2245 2244 2246 -CONECT 2246 2245 2247 -CONECT 2247 2246 2248 -CONECT 2248 2247 2249 2253 -CONECT 2249 2248 2250 2254 -CONECT 2250 2249 2251 -CONECT 2251 2250 2252 -CONECT 2252 2251 2253 -CONECT 2253 2244 2248 2252 -CONECT 2254 2249 2255 2256 -CONECT 2255 2254 -CONECT 2256 2254 -CONECT 2257 2244 2258 2259 2260 -CONECT 2258 2257 -CONECT 2259 2257 -CONECT 2260 2257 2261 -CONECT 2261 2260 2262 2269 -CONECT 2262 2261 2263 -CONECT 2263 2262 2264 -CONECT 2264 2263 2265 -CONECT 2265 2264 2266 -CONECT 2266 2265 2267 2268 -CONECT 2267 2266 -CONECT 2268 2266 -CONECT 2269 2261 2270 2271 -CONECT 2270 2269 -CONECT 2271 2269 2272 2276 -CONECT 2272 2271 2273 2277 -CONECT 2273 2272 2274 -CONECT 2274 2273 2275 -CONECT 2275 2274 2276 -CONECT 2276 2271 2275 -CONECT 2277 2272 2278 -CONECT 2278 2277 2283 -CONECT 2279 2281 2282 -CONECT 2280 2283 -CONECT 2281 2279 2284 -CONECT 2282 2279 2283 2285 -CONECT 2283 2278 2280 2282 -CONECT 2284 2281 2285 -CONECT 2285 2282 2284 -CONECT 2319 2242 -CONECT 2369 2242 -CONECT 2372 2242 -CONECT 2375 2243 -CONECT 2401 2242 -CONECT 2415 2243 -CONECT 2418 2243 -MASTER 471 0 7 4 14 0 12 6 2439 3 82 24 -END diff --git a/biojava-structure/src/test/resources/1fdo.cif b/biojava-structure/src/test/resources/1fdo.cif deleted file mode 100644 index 482ec6555a..0000000000 --- a/biojava-structure/src/test/resources/1fdo.cif +++ /dev/null @@ -1,8396 +0,0 @@ -data_1FDO -# -_entry.id 1FDO -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 1.0670 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -_database_2.database_id PDB -_database_2.database_code 1FDO -# -loop_ -_database_PDB_rev.num -_database_PDB_rev.date -_database_PDB_rev.date_original -_database_PDB_rev.status -_database_PDB_rev.replaces -_database_PDB_rev.mod_type -1 1997-08-20 1997-01-27 ? 1FDO 0 -2 2009-02-24 ? ? 1FDO 1 -3 2009-03-24 ? ? 1FDO 1 -# -loop_ -_database_PDB_rev_record.rev_num -_database_PDB_rev_record.type -_database_PDB_rev_record.details -2 VERSN ? -3 ATOM ? -3 CONECT ? -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 1FDO -_pdbx_database_status.deposit_site ? -_pdbx_database_status.process_site ? -_pdbx_database_status.SG_entry ? -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Sun, P.D.' 1 -'Boyington, J.C.' 2 -# -loop_ -_citation.id -_citation.title -_citation.journal_abbrev -_citation.journal_volume -_citation.page_first -_citation.page_last -_citation.year -_citation.journal_id_ASTM -_citation.country -_citation.journal_id_ISSN -_citation.journal_id_CSD -_citation.book_publisher -_citation.pdbx_database_id_PubMed -_citation.pdbx_database_id_DOI -primary -'Crystal structure of formate dehydrogenase H: catalysis involving Mo, molybdopterin, selenocysteine, and an Fe4S4 cluster.' -Science 275 1305 1308 1997 SCIEAS US 0036-8075 0038 ? 9036855 10.1126/science.275.5304.1305 -1 -;Characterization of Crystalline Formate Dehydrogenase H from Escherichia Coli. Stabilization, Epr Spectroscopy, and Preliminary Crystallographic Analysis -; -J.Biol.Chem. 271 8095 ? 1996 JBCHA3 US 0021-9258 0071 ? ? ? -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -primary 'Boyington, J.C.' 1 -primary 'Gladyshev, V.N.' 2 -primary 'Khangulov, S.V.' 3 -primary 'Stadtman, T.C.' 4 -primary 'Sun, P.D.' 5 -1 'Gladyshev, V.N.' 6 -1 'Boyington, J.C.' 7 -1 'Khangulov, S.V.' 8 -1 'Grahame, D.A.' 9 -1 'Stadtman, T.C.' 10 -1 'Sun, P.D.' 11 -# -_cell.entry_id 1FDO -_cell.length_a 146.600 -_cell.length_b 146.600 -_cell.length_c 81.100 -_cell.angle_alpha 90.00 -_cell.angle_beta 90.00 -_cell.angle_gamma 90.00 -_cell.Z_PDB 8 -_cell.pdbx_unique_axis ? -# -_symmetry.entry_id 1FDO -_symmetry.space_group_name_H-M 'P 41 21 2' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number ? -# -loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer man 'FORMATE DEHYDROGENASE H' -79466.344 1 'OXIDIZED FORM (MO(VI),FE4S4(OX)) OF FDH-H' ? ? 1.2.1.2 -2 non-polymer syn 'IRON/SULFUR CLUSTER' -351.628 1 ? ? ? ? -3 non-polymer syn -'2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE' 740.552 2 -? ? ? ? -4 non-polymer syn 'MOLYBDENUM(VI) ION' -95.940 1 ? ? ? ? -5 water nat water -18.015 64 ? ? ? ? -# -loop_ -_entity_keywords.entity_id -_entity_keywords.text -1 ? -2 ? -3 ? -4 ? -5 ? -# -loop_ -_entity_name_com.entity_id -_entity_name_com.name -1 FDH-H -2 ? -3 ? -4 ? -5 ? -# -_entity_poly.entity_id 1 -_entity_poly.type 'polypeptide(L)' -_entity_poly.nstd_linkage no -_entity_poly.nstd_monomer yes -_entity_poly.pdbx_seq_one_letter_code -;MKKVVTVCPYCASGCKINLVVDNGKIVRAEAAQGKTNQGTLCLKGYYGWDFINDTQILTPRLKTPMIRRQRGGKLEPVSW -DEALNYVAERLSAIKEKYGPDAIQTTGSSRGTGNETNYVMQKFARAVIGTNNVDCCARV(CSE)HGPSVAGLHQSVGNGA -MSNAINEIDNTDLVFVFGYNPADSHPIVANHVINAKRNGAKIIVCDPRKIETARIADMHIALKNGSNIALLNAMGHVIIE -ENLYDKAFVASRTEGFEEYRKIVEGYTPESVEDITGVSASEIRQAARMYAQAKSAAILWGMGVTQFYQGVETVRSLTSLA -MLTGNLGKPHAGVNPVRGQNNVQGACDMGALPDTYPGYQYVKDPANREKFAKAWGVESLPAHTGYRISELPHRAAHGEVR -AAYIMGEDPLQTDAELSAVRKAFEDLELVIVQDIFMTKTASAADVILPSTSWGEHEGVFTAADRGFQRFFKAVEPKWDLK -TDWQIISEIATRMGYPMHYNNTQEIWDELRHLCPDFYGATYEKMGELGFIQWPCRDTSDADQGTSYLFKEKFDTPNGLAQ -FFTCDWVAPIDKLTDEYPMVLSTVREVGHYSCRSMTGNCAALAALADEPGYAQINTEDAKRLGIEDEALVWVHSRKGKII -TRAQVSDRPNKGAIYMTYQWWIGACNELVTENLSPITKTPEYKYCAVRVEPIADQRAAEQYVIDEYNKLKTRLREAALA -; -_entity_poly.pdbx_seq_one_letter_code_can -;MKKVVTVCPYCASGCKINLVVDNGKIVRAEAAQGKTNQGTLCLKGYYGWDFINDTQILTPRLKTPMIRRQRGGKLEPVSW -DEALNYVAERLSAIKEKYGPDAIQTTGSSRGTGNETNYVMQKFARAVIGTNNVDCCARVCHGPSVAGLHQSVGNGAMSNA -INEIDNTDLVFVFGYNPADSHPIVANHVINAKRNGAKIIVCDPRKIETARIADMHIALKNGSNIALLNAMGHVIIEENLY -DKAFVASRTEGFEEYRKIVEGYTPESVEDITGVSASEIRQAARMYAQAKSAAILWGMGVTQFYQGVETVRSLTSLAMLTG -NLGKPHAGVNPVRGQNNVQGACDMGALPDTYPGYQYVKDPANREKFAKAWGVESLPAHTGYRISELPHRAAHGEVRAAYI -MGEDPLQTDAELSAVRKAFEDLELVIVQDIFMTKTASAADVILPSTSWGEHEGVFTAADRGFQRFFKAVEPKWDLKTDWQ -IISEIATRMGYPMHYNNTQEIWDELRHLCPDFYGATYEKMGELGFIQWPCRDTSDADQGTSYLFKEKFDTPNGLAQFFTC -DWVAPIDKLTDEYPMVLSTVREVGHYSCRSMTGNCAALAALADEPGYAQINTEDAKRLGIEDEALVWVHSRKGKIITRAQ -VSDRPNKGAIYMTYQWWIGACNELVTENLSPITKTPEYKYCAVRVEPIADQRAAEQYVIDEYNKLKTRLREAALA -; -_entity_poly.pdbx_strand_id A -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 MET n -1 2 LYS n -1 3 LYS n -1 4 VAL n -1 5 VAL n -1 6 THR n -1 7 VAL n -1 8 CYS n -1 9 PRO n -1 10 TYR n -1 11 CYS n -1 12 ALA n -1 13 SER n -1 14 GLY n -1 15 CYS n -1 16 LYS n -1 17 ILE n -1 18 ASN n -1 19 LEU n -1 20 VAL n -1 21 VAL n -1 22 ASP n -1 23 ASN n -1 24 GLY n -1 25 LYS n -1 26 ILE n -1 27 VAL n -1 28 ARG n -1 29 ALA n -1 30 GLU n -1 31 ALA n -1 32 ALA n -1 33 GLN n -1 34 GLY n -1 35 LYS n -1 36 THR n -1 37 ASN n -1 38 GLN n -1 39 GLY n -1 40 THR n -1 41 LEU n -1 42 CYS n -1 43 LEU n -1 44 LYS n -1 45 GLY n -1 46 TYR n -1 47 TYR n -1 48 GLY n -1 49 TRP n -1 50 ASP n -1 51 PHE n -1 52 ILE n -1 53 ASN n -1 54 ASP n -1 55 THR n -1 56 GLN n -1 57 ILE n -1 58 LEU n -1 59 THR n -1 60 PRO n -1 61 ARG n -1 62 LEU n -1 63 LYS n -1 64 THR n -1 65 PRO n -1 66 MET n -1 67 ILE n -1 68 ARG n -1 69 ARG n -1 70 GLN n -1 71 ARG n -1 72 GLY n -1 73 GLY n -1 74 LYS n -1 75 LEU n -1 76 GLU n -1 77 PRO n -1 78 VAL n -1 79 SER n -1 80 TRP n -1 81 ASP n -1 82 GLU n -1 83 ALA n -1 84 LEU n -1 85 ASN n -1 86 TYR n -1 87 VAL n -1 88 ALA n -1 89 GLU n -1 90 ARG n -1 91 LEU n -1 92 SER n -1 93 ALA n -1 94 ILE n -1 95 LYS n -1 96 GLU n -1 97 LYS n -1 98 TYR n -1 99 GLY n -1 100 PRO n -1 101 ASP n -1 102 ALA n -1 103 ILE n -1 104 GLN n -1 105 THR n -1 106 THR n -1 107 GLY n -1 108 SER n -1 109 SER n -1 110 ARG n -1 111 GLY n -1 112 THR n -1 113 GLY n -1 114 ASN n -1 115 GLU n -1 116 THR n -1 117 ASN n -1 118 TYR n -1 119 VAL n -1 120 MET n -1 121 GLN n -1 122 LYS n -1 123 PHE n -1 124 ALA n -1 125 ARG n -1 126 ALA n -1 127 VAL n -1 128 ILE n -1 129 GLY n -1 130 THR n -1 131 ASN n -1 132 ASN n -1 133 VAL n -1 134 ASP n -1 135 CYS n -1 136 CYS n -1 137 ALA n -1 138 ARG n -1 139 VAL n -1 140 CSE n -1 141 HIS n -1 142 GLY n -1 143 PRO n -1 144 SER n -1 145 VAL n -1 146 ALA n -1 147 GLY n -1 148 LEU n -1 149 HIS n -1 150 GLN n -1 151 SER n -1 152 VAL n -1 153 GLY n -1 154 ASN n -1 155 GLY n -1 156 ALA n -1 157 MET n -1 158 SER n -1 159 ASN n -1 160 ALA n -1 161 ILE n -1 162 ASN n -1 163 GLU n -1 164 ILE n -1 165 ASP n -1 166 ASN n -1 167 THR n -1 168 ASP n -1 169 LEU n -1 170 VAL n -1 171 PHE n -1 172 VAL n -1 173 PHE n -1 174 GLY n -1 175 TYR n -1 176 ASN n -1 177 PRO n -1 178 ALA n -1 179 ASP n -1 180 SER n -1 181 HIS n -1 182 PRO n -1 183 ILE n -1 184 VAL n -1 185 ALA n -1 186 ASN n -1 187 HIS n -1 188 VAL n -1 189 ILE n -1 190 ASN n -1 191 ALA n -1 192 LYS n -1 193 ARG n -1 194 ASN n -1 195 GLY n -1 196 ALA n -1 197 LYS n -1 198 ILE n -1 199 ILE n -1 200 VAL n -1 201 CYS n -1 202 ASP n -1 203 PRO n -1 204 ARG n -1 205 LYS n -1 206 ILE n -1 207 GLU n -1 208 THR n -1 209 ALA n -1 210 ARG n -1 211 ILE n -1 212 ALA n -1 213 ASP n -1 214 MET n -1 215 HIS n -1 216 ILE n -1 217 ALA n -1 218 LEU n -1 219 LYS n -1 220 ASN n -1 221 GLY n -1 222 SER n -1 223 ASN n -1 224 ILE n -1 225 ALA n -1 226 LEU n -1 227 LEU n -1 228 ASN n -1 229 ALA n -1 230 MET n -1 231 GLY n -1 232 HIS n -1 233 VAL n -1 234 ILE n -1 235 ILE n -1 236 GLU n -1 237 GLU n -1 238 ASN n -1 239 LEU n -1 240 TYR n -1 241 ASP n -1 242 LYS n -1 243 ALA n -1 244 PHE n -1 245 VAL n -1 246 ALA n -1 247 SER n -1 248 ARG n -1 249 THR n -1 250 GLU n -1 251 GLY n -1 252 PHE n -1 253 GLU n -1 254 GLU n -1 255 TYR n -1 256 ARG n -1 257 LYS n -1 258 ILE n -1 259 VAL n -1 260 GLU n -1 261 GLY n -1 262 TYR n -1 263 THR n -1 264 PRO n -1 265 GLU n -1 266 SER n -1 267 VAL n -1 268 GLU n -1 269 ASP n -1 270 ILE n -1 271 THR n -1 272 GLY n -1 273 VAL n -1 274 SER n -1 275 ALA n -1 276 SER n -1 277 GLU n -1 278 ILE n -1 279 ARG n -1 280 GLN n -1 281 ALA n -1 282 ALA n -1 283 ARG n -1 284 MET n -1 285 TYR n -1 286 ALA n -1 287 GLN n -1 288 ALA n -1 289 LYS n -1 290 SER n -1 291 ALA n -1 292 ALA n -1 293 ILE n -1 294 LEU n -1 295 TRP n -1 296 GLY n -1 297 MET n -1 298 GLY n -1 299 VAL n -1 300 THR n -1 301 GLN n -1 302 PHE n -1 303 TYR n -1 304 GLN n -1 305 GLY n -1 306 VAL n -1 307 GLU n -1 308 THR n -1 309 VAL n -1 310 ARG n -1 311 SER n -1 312 LEU n -1 313 THR n -1 314 SER n -1 315 LEU n -1 316 ALA n -1 317 MET n -1 318 LEU n -1 319 THR n -1 320 GLY n -1 321 ASN n -1 322 LEU n -1 323 GLY n -1 324 LYS n -1 325 PRO n -1 326 HIS n -1 327 ALA n -1 328 GLY n -1 329 VAL n -1 330 ASN n -1 331 PRO n -1 332 VAL n -1 333 ARG n -1 334 GLY n -1 335 GLN n -1 336 ASN n -1 337 ASN n -1 338 VAL n -1 339 GLN n -1 340 GLY n -1 341 ALA n -1 342 CYS n -1 343 ASP n -1 344 MET n -1 345 GLY n -1 346 ALA n -1 347 LEU n -1 348 PRO n -1 349 ASP n -1 350 THR n -1 351 TYR n -1 352 PRO n -1 353 GLY n -1 354 TYR n -1 355 GLN n -1 356 TYR n -1 357 VAL n -1 358 LYS n -1 359 ASP n -1 360 PRO n -1 361 ALA n -1 362 ASN n -1 363 ARG n -1 364 GLU n -1 365 LYS n -1 366 PHE n -1 367 ALA n -1 368 LYS n -1 369 ALA n -1 370 TRP n -1 371 GLY n -1 372 VAL n -1 373 GLU n -1 374 SER n -1 375 LEU n -1 376 PRO n -1 377 ALA n -1 378 HIS n -1 379 THR n -1 380 GLY n -1 381 TYR n -1 382 ARG n -1 383 ILE n -1 384 SER n -1 385 GLU n -1 386 LEU n -1 387 PRO n -1 388 HIS n -1 389 ARG n -1 390 ALA n -1 391 ALA n -1 392 HIS n -1 393 GLY n -1 394 GLU n -1 395 VAL n -1 396 ARG n -1 397 ALA n -1 398 ALA n -1 399 TYR n -1 400 ILE n -1 401 MET n -1 402 GLY n -1 403 GLU n -1 404 ASP n -1 405 PRO n -1 406 LEU n -1 407 GLN n -1 408 THR n -1 409 ASP n -1 410 ALA n -1 411 GLU n -1 412 LEU n -1 413 SER n -1 414 ALA n -1 415 VAL n -1 416 ARG n -1 417 LYS n -1 418 ALA n -1 419 PHE n -1 420 GLU n -1 421 ASP n -1 422 LEU n -1 423 GLU n -1 424 LEU n -1 425 VAL n -1 426 ILE n -1 427 VAL n -1 428 GLN n -1 429 ASP n -1 430 ILE n -1 431 PHE n -1 432 MET n -1 433 THR n -1 434 LYS n -1 435 THR n -1 436 ALA n -1 437 SER n -1 438 ALA n -1 439 ALA n -1 440 ASP n -1 441 VAL n -1 442 ILE n -1 443 LEU n -1 444 PRO n -1 445 SER n -1 446 THR n -1 447 SER n -1 448 TRP n -1 449 GLY n -1 450 GLU n -1 451 HIS n -1 452 GLU n -1 453 GLY n -1 454 VAL n -1 455 PHE n -1 456 THR n -1 457 ALA n -1 458 ALA n -1 459 ASP n -1 460 ARG n -1 461 GLY n -1 462 PHE n -1 463 GLN n -1 464 ARG n -1 465 PHE n -1 466 PHE n -1 467 LYS n -1 468 ALA n -1 469 VAL n -1 470 GLU n -1 471 PRO n -1 472 LYS n -1 473 TRP n -1 474 ASP n -1 475 LEU n -1 476 LYS n -1 477 THR n -1 478 ASP n -1 479 TRP n -1 480 GLN n -1 481 ILE n -1 482 ILE n -1 483 SER n -1 484 GLU n -1 485 ILE n -1 486 ALA n -1 487 THR n -1 488 ARG n -1 489 MET n -1 490 GLY n -1 491 TYR n -1 492 PRO n -1 493 MET n -1 494 HIS n -1 495 TYR n -1 496 ASN n -1 497 ASN n -1 498 THR n -1 499 GLN n -1 500 GLU n -1 501 ILE n -1 502 TRP n -1 503 ASP n -1 504 GLU n -1 505 LEU n -1 506 ARG n -1 507 HIS n -1 508 LEU n -1 509 CYS n -1 510 PRO n -1 511 ASP n -1 512 PHE n -1 513 TYR n -1 514 GLY n -1 515 ALA n -1 516 THR n -1 517 TYR n -1 518 GLU n -1 519 LYS n -1 520 MET n -1 521 GLY n -1 522 GLU n -1 523 LEU n -1 524 GLY n -1 525 PHE n -1 526 ILE n -1 527 GLN n -1 528 TRP n -1 529 PRO n -1 530 CYS n -1 531 ARG n -1 532 ASP n -1 533 THR n -1 534 SER n -1 535 ASP n -1 536 ALA n -1 537 ASP n -1 538 GLN n -1 539 GLY n -1 540 THR n -1 541 SER n -1 542 TYR n -1 543 LEU n -1 544 PHE n -1 545 LYS n -1 546 GLU n -1 547 LYS n -1 548 PHE n -1 549 ASP n -1 550 THR n -1 551 PRO n -1 552 ASN n -1 553 GLY n -1 554 LEU n -1 555 ALA n -1 556 GLN n -1 557 PHE n -1 558 PHE n -1 559 THR n -1 560 CYS n -1 561 ASP n -1 562 TRP n -1 563 VAL n -1 564 ALA n -1 565 PRO n -1 566 ILE n -1 567 ASP n -1 568 LYS n -1 569 LEU n -1 570 THR n -1 571 ASP n -1 572 GLU n -1 573 TYR n -1 574 PRO n -1 575 MET n -1 576 VAL n -1 577 LEU n -1 578 SER n -1 579 THR n -1 580 VAL n -1 581 ARG n -1 582 GLU n -1 583 VAL n -1 584 GLY n -1 585 HIS n -1 586 TYR n -1 587 SER n -1 588 CYS n -1 589 ARG n -1 590 SER n -1 591 MET n -1 592 THR n -1 593 GLY n -1 594 ASN n -1 595 CYS n -1 596 ALA n -1 597 ALA n -1 598 LEU n -1 599 ALA n -1 600 ALA n -1 601 LEU n -1 602 ALA n -1 603 ASP n -1 604 GLU n -1 605 PRO n -1 606 GLY n -1 607 TYR n -1 608 ALA n -1 609 GLN n -1 610 ILE n -1 611 ASN n -1 612 THR n -1 613 GLU n -1 614 ASP n -1 615 ALA n -1 616 LYS n -1 617 ARG n -1 618 LEU n -1 619 GLY n -1 620 ILE n -1 621 GLU n -1 622 ASP n -1 623 GLU n -1 624 ALA n -1 625 LEU n -1 626 VAL n -1 627 TRP n -1 628 VAL n -1 629 HIS n -1 630 SER n -1 631 ARG n -1 632 LYS n -1 633 GLY n -1 634 LYS n -1 635 ILE n -1 636 ILE n -1 637 THR n -1 638 ARG n -1 639 ALA n -1 640 GLN n -1 641 VAL n -1 642 SER n -1 643 ASP n -1 644 ARG n -1 645 PRO n -1 646 ASN n -1 647 LYS n -1 648 GLY n -1 649 ALA n -1 650 ILE n -1 651 TYR n -1 652 MET n -1 653 THR n -1 654 TYR n -1 655 GLN n -1 656 TRP n -1 657 TRP n -1 658 ILE n -1 659 GLY n -1 660 ALA n -1 661 CYS n -1 662 ASN n -1 663 GLU n -1 664 LEU n -1 665 VAL n -1 666 THR n -1 667 GLU n -1 668 ASN n -1 669 LEU n -1 670 SER n -1 671 PRO n -1 672 ILE n -1 673 THR n -1 674 LYS n -1 675 THR n -1 676 PRO n -1 677 GLU n -1 678 TYR n -1 679 LYS n -1 680 TYR n -1 681 CYS n -1 682 ALA n -1 683 VAL n -1 684 ARG n -1 685 VAL n -1 686 GLU n -1 687 PRO n -1 688 ILE n -1 689 ALA n -1 690 ASP n -1 691 GLN n -1 692 ARG n -1 693 ALA n -1 694 ALA n -1 695 GLU n -1 696 GLN n -1 697 TYR n -1 698 VAL n -1 699 ILE n -1 700 ASP n -1 701 GLU n -1 702 TYR n -1 703 ASN n -1 704 LYS n -1 705 LEU n -1 706 LYS n -1 707 THR n -1 708 ARG n -1 709 LEU n -1 710 ARG n -1 711 GLU n -1 712 ALA n -1 713 ALA n -1 714 LEU n -1 715 ALA n -# -_entity_src_gen.entity_id 1 -_entity_src_gen.gene_src_common_name ? -_entity_src_gen.gene_src_genus Escherichia -_entity_src_gen.pdbx_gene_src_gene FDHF -_entity_src_gen.gene_src_species ? -_entity_src_gen.gene_src_strain FM911 -_entity_src_gen.gene_src_tissue ? -_entity_src_gen.gene_src_tissue_fraction ? -_entity_src_gen.gene_src_details ? -_entity_src_gen.pdbx_gene_src_fragment ? -_entity_src_gen.pdbx_gene_src_scientific_name 'Escherichia coli' -_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 562 -_entity_src_gen.pdbx_gene_src_variant ? -_entity_src_gen.pdbx_gene_src_cell_line ? -_entity_src_gen.pdbx_gene_src_atcc ? -_entity_src_gen.pdbx_gene_src_organ ? -_entity_src_gen.pdbx_gene_src_organelle ? -_entity_src_gen.pdbx_gene_src_cell ? -_entity_src_gen.pdbx_gene_src_cellular_location ? -_entity_src_gen.host_org_common_name ? -_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' -_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 -_entity_src_gen.host_org_genus Escherichia -_entity_src_gen.pdbx_host_org_gene ? -_entity_src_gen.pdbx_host_org_organ ? -_entity_src_gen.host_org_species ? -_entity_src_gen.pdbx_host_org_tissue ? -_entity_src_gen.pdbx_host_org_tissue_fraction ? -_entity_src_gen.pdbx_host_org_strain ? -_entity_src_gen.pdbx_host_org_variant ? -_entity_src_gen.pdbx_host_org_cell_line ? -_entity_src_gen.pdbx_host_org_atcc ? -_entity_src_gen.pdbx_host_org_culture_collection ? -_entity_src_gen.pdbx_host_org_cell ? -_entity_src_gen.pdbx_host_org_organelle ? -_entity_src_gen.pdbx_host_org_cellular_location ? -_entity_src_gen.pdbx_host_org_vector_type ? -_entity_src_gen.pdbx_host_org_vector ? -_entity_src_gen.plasmid_name PFM20 -_entity_src_gen.plasmid_details ? -_entity_src_gen.pdbx_description 'FDH-H WAS EXPRESSED ANAEROBICALLY' -# -_struct_ref.id 1 -_struct_ref.db_name UNP -_struct_ref.db_code FDHF_ECOLI -_struct_ref.entity_id 1 -_struct_ref.pdbx_db_accession P07658 -_struct_ref.pdbx_align_begin 1 -_struct_ref.pdbx_seq_one_letter_code -;MKKVVTVCPYCASGCKINLVVDNGKIVRAEAAQGKTNQGTLCLKGYYGWDFINDTQILTPRLKTPMIRRQRGGKLEPVSW -DEALNYVAERLSAIKEKYGPDAIQTTGSSRGTGNETNYVMQKFARAVIGTNNVDCCARVCHGPSVAGLHQSVGNGAMSNA -INEIDNTDLVFVFGYNPADSHPIVANHVINAKRNGAKIIVCDPRKIETARIADMHIALKNGSNIALLNAMGHVIIEENLY -DKAFVASRTEGFEEYRKIVEGYTPESVEDITGVSASEIRQAARMYAQAKSAAILWGMGVTQFYQGVETVRSLTSLAMLTG -NLGKPHAGVNPVRGQNNVQGACDMGALPDTYPGYQYVKDPANREKFAKAWGVESLPAHTGYRISELPHRAAHGEVRAAYI -MGEDPLQTDAELSAVRKAFEDLELVIVQDIFMTKTASAADVILPSTSWGEHEGVFTAADRGFQRFFKAVEPKWDLKTDWQ -IISEIATRMGYPMHYNNTQEIWDELRHLCPDFYGATYEKMGELGFIQWPCRDTSDADQGTSYLFKEKFDTPNGLAQFFTC -DWVAPIDKLTDEYPMVLSTVREVGHYSCRSMTGNCAALAALADEPGYAQINTEDAKRLGIEDEALVWVHSRKGKIITRAQ -VSDRPNKGAIYMTYQWWIGACNELVTENLSPITKTPEYKYCAVRVEPIADQRAAEQYVIDEYNKLKTRLREAALA -; -_struct_ref.biol_id . -# -_struct_ref_seq.align_id 1 -_struct_ref_seq.ref_id 1 -_struct_ref_seq.pdbx_PDB_id_code 1FDO -_struct_ref_seq.pdbx_strand_id A -_struct_ref_seq.seq_align_beg 1 -_struct_ref_seq.pdbx_seq_align_beg_ins_code ? -_struct_ref_seq.seq_align_end 715 -_struct_ref_seq.pdbx_seq_align_end_ins_code ? -_struct_ref_seq.pdbx_db_accession P07658 -_struct_ref_seq.db_align_beg 1 -_struct_ref_seq.pdbx_db_align_beg_ins_code ? -_struct_ref_seq.db_align_end 715 -_struct_ref_seq.pdbx_db_align_end_ins_code ? -_struct_ref_seq.pdbx_auth_seq_align_beg 1 -_struct_ref_seq.pdbx_auth_seq_align_end 715 -# -_struct_ref_seq_dif.align_id 1 -_struct_ref_seq_dif.pdbx_pdb_id_code 1FDO -_struct_ref_seq_dif.mon_id CSE -_struct_ref_seq_dif.pdbx_pdb_strand_id A -_struct_ref_seq_dif.seq_num 140 -_struct_ref_seq_dif.pdbx_pdb_ins_code ? -_struct_ref_seq_dif.pdbx_seq_db_name UNP -_struct_ref_seq_dif.pdbx_seq_db_accession_code P07658 -_struct_ref_seq_dif.db_mon_id CYS -_struct_ref_seq_dif.pdbx_seq_db_seq_num 140 -_struct_ref_seq_dif.details 'MODIFIED RESIDUE' -_struct_ref_seq_dif.pdbx_auth_seq_num 140 -_struct_ref_seq_dif.pdbx_ordinal 1 -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -MET 'L-peptide linking' y METHIONINE -? 'C5 H11 N O2 S' 149.207 -LYS 'L-peptide linking' y LYSINE -? 'C6 H15 N2 O2 1' 147.197 -VAL 'L-peptide linking' y VALINE -? 'C5 H11 N O2' 117.147 -THR 'L-peptide linking' y THREONINE -? 'C4 H9 N O3' 119.120 -CYS 'L-peptide linking' y CYSTEINE -? 'C3 H7 N O2 S' 121.154 -PRO 'L-peptide linking' y PROLINE -? 'C5 H9 N O2' 115.132 -TYR 'L-peptide linking' y TYROSINE -? 'C9 H11 N O3' 181.191 -ALA 'L-peptide linking' y ALANINE -? 'C3 H7 N O2' 89.094 -SER 'L-peptide linking' y SERINE -? 'C3 H7 N O3' 105.093 -GLY 'peptide linking' y GLYCINE -? 'C2 H5 N O2' 75.067 -ILE 'L-peptide linking' y ISOLEUCINE -? 'C6 H13 N O2' 131.174 -ASN 'L-peptide linking' y ASPARAGINE -? 'C4 H8 N2 O3' 132.119 -LEU 'L-peptide linking' y LEUCINE -? 'C6 H13 N O2' 131.174 -ASP 'L-peptide linking' y 'ASPARTIC ACID' -? 'C4 H7 N O4' 133.104 -ARG 'L-peptide linking' y ARGININE -? 'C6 H15 N4 O2 1' 175.210 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' -? 'C5 H9 N O4' 147.130 -GLN 'L-peptide linking' y GLUTAMINE -? 'C5 H10 N2 O3' 146.146 -TRP 'L-peptide linking' y TRYPTOPHAN -? 'C11 H12 N2 O2' 204.228 -PHE 'L-peptide linking' y PHENYLALANINE -? 'C9 H11 N O2' 165.191 -CSE 'L-peptide linking' n SELENOCYSTEINE -? 'C3 H7 N O2 SE' 168.054 -HIS 'L-peptide linking' y HISTIDINE -? 'C6 H10 N3 O2 1' 156.164 -SF4 non-polymer . 'IRON/SULFUR CLUSTER' -? 'FE4 S4' 351.628 -MGD non-polymer . -'2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE' -'MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE' 'C20 H26 N10 O13 P2 S2' 740.552 -6MO non-polymer . 'MOLYBDENUM(VI) ION' -? 'MO 6' 95.940 -HOH non-polymer . WATER -? 'H2 O' 18.015 -# -_exptl.entry_id 1FDO -_exptl.method 'X-RAY DIFFRACTION' -_exptl.crystals_number 1 -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_Matthews 2.7 -_exptl_crystal.density_percent_sol 55. -_exptl_crystal.description ? -# -_exptl_crystal_grow.crystal_id 1 -_exptl_crystal_grow.method 'vapor diffusion - hanging drop in anaerobic atmosphere' -_exptl_crystal_grow.temp ? -_exptl_crystal_grow.temp_details ? -_exptl_crystal_grow.pH 7.5 -_exptl_crystal_grow.pdbx_pH_range ? -_exptl_crystal_grow.pdbx_details -;FDH-H WAS CRYSTALLIZED BY HANGING DROP VAPOR DIFFUSION IN AN ANAEROBIC ATMOSPHERE IN THE PRESENCE OF 1.5 M AMMONIUM SULFATE, 1% PEG 400, 20 MM SODIUM FORMATE AND 100 MM HEPES/NAOH AT PH 7.5. PRIOR TO FREEZING IN LIQUID NITROGEN, CRYSTALS WERE OXIDIZED BY SOAKING IN 10 MM BENZYL VIOLOGEN FOR 30 MINUTES., vapor diffusion - hanging drop in anaerobic atmosphere -; -# -_diffrn.id 1 -_diffrn.ambient_temp 93 -_diffrn.ambient_temp_details ? -_diffrn.crystal_id 1 -# -_diffrn_detector.diffrn_id 1 -_diffrn_detector.detector 'IMAGE PLATE' -_diffrn_detector.type 'RIGAKU RAXIS' -_diffrn_detector.pdbx_collection_date 1995-10 -_diffrn_detector.details MIRRORS -# -_diffrn_radiation.diffrn_id 1 -_diffrn_radiation.wavelength_id 1 -_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M -_diffrn_radiation.monochromator 'NI FILTER' -_diffrn_radiation.pdbx_diffrn_protocol ? -# -_diffrn_radiation_wavelength.id 1 -_diffrn_radiation_wavelength.wavelength 1.5418 -_diffrn_radiation_wavelength.wt 1.0 -# -_diffrn_source.diffrn_id 1 -_diffrn_source.source 'ROTATING ANODE' -_diffrn_source.type 'RIGAKU RUH2R' -_diffrn_source.pdbx_synchrotron_site ? -_diffrn_source.pdbx_synchrotron_beamline ? -_diffrn_source.pdbx_wavelength 1.5418 -_diffrn_source.pdbx_wavelength_list ? -# -_reflns.entry_id 1FDO -_reflns.observed_criterion_sigma_I 1.0 -_reflns.observed_criterion_sigma_F ? -_reflns.d_resolution_low 50.0 -_reflns.d_resolution_high 2.8 -_reflns.number_obs 20861 -_reflns.number_all ? -_reflns.percent_possible_obs 93.4 -_reflns.pdbx_Rmerge_I_obs 0.079 -_reflns.pdbx_Rsym_value ? -_reflns.pdbx_netI_over_sigmaI 22.1 -_reflns.B_iso_Wilson_estimate ? -_reflns.pdbx_redundancy 4.0 -# -_reflns_shell.d_res_high 2.8 -_reflns_shell.d_res_low 2.9 -_reflns_shell.percent_possible_all 91.4 -_reflns_shell.Rmerge_I_obs 0.2 -_reflns_shell.pdbx_Rsym_value ? -_reflns_shell.meanI_over_sigI_obs 8.4 -_reflns_shell.pdbx_redundancy ? -# -_computing.entry_id 1FDO -_computing.pdbx_data_reduction_ii DENZO -_computing.pdbx_data_reduction_ds SCALEPACK -_computing.data_collection ? -_computing.structure_solution 'X-PLOR 3.1' -_computing.structure_refinement 'X-PLOR 3.1' -_computing.pdbx_structure_refinement_method ? -# -_refine.entry_id 1FDO -_refine.ls_number_reflns_obs 18013 -_refine.ls_number_reflns_all ? -_refine.pdbx_ls_sigma_I ? -_refine.pdbx_ls_sigma_F 2.0 -_refine.pdbx_data_cutoff_high_absF 100000.0 -_refine.pdbx_data_cutoff_low_absF 0.1 -_refine.pdbx_data_cutoff_high_rms_absF ? -_refine.ls_d_res_low 6.0 -_refine.ls_d_res_high 2.8 -_refine.ls_percent_reflns_obs 90. -_refine.ls_R_factor_obs 0.192 -_refine.ls_R_factor_all ? -_refine.ls_R_factor_R_work 0.192 -_refine.ls_R_factor_R_free 0.281 -_refine.ls_R_factor_R_free_error 0.010 -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free 4.7 -_refine.ls_number_reflns_R_free 849 -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.B_iso_mean 23.5 -_refine.aniso_B[1][1] ? -_refine.aniso_B[2][2] ? -_refine.aniso_B[3][3] ? -_refine.aniso_B[1][2] ? -_refine.aniso_B[1][3] ? -_refine.aniso_B[2][3] ? -_refine.solvent_model_details ? -_refine.solvent_model_param_ksol ? -_refine.solvent_model_param_bsol ? -_refine.pdbx_ls_cross_valid_method THROUGHOUT -_refine.details ? -_refine.pdbx_starting_model ? -_refine.pdbx_method_to_determine_struct -'DIFFERENCE FOURIER ANALYSIS USING PHASES FROM THE STRUCTURE OF REDUCED FDH-H (PDB ENTRY 1AA6)' -_refine.pdbx_isotropic_thermal_model RESTRAINED -_refine.pdbx_stereochemistry_target_values ? -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details RANDOM -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_ML ? -_refine.overall_SU_B ? -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -# -_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_hist.cycle_id LAST -_refine_hist.pdbx_number_atoms_protein 5566 -_refine_hist.pdbx_number_atoms_nucleic_acid 0 -_refine_hist.pdbx_number_atoms_ligand 103 -_refine_hist.number_atoms_solvent 64 -_refine_hist.number_atoms_total 5733 -_refine_hist.d_res_high 2.8 -_refine_hist.d_res_low 6.0 -# -loop_ -_refine_ls_restr.type -_refine_ls_restr.dev_ideal -_refine_ls_restr.dev_ideal_target -_refine_ls_restr.weight -_refine_ls_restr.number -_refine_ls_restr.pdbx_refine_id -x_bond_d 0.013 ? ? ? 'X-RAY DIFFRACTION' -x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_deg 1.85 ? ? ? 'X-RAY DIFFRACTION' -x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_dihedral_angle_d 24.7 ? ? ? 'X-RAY DIFFRACTION' -x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_improper_angle_d 1.54 ? ? ? 'X-RAY DIFFRACTION' -x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_mcbond_it ? 1.5 ? ? 'X-RAY DIFFRACTION' -x_mcangle_it ? 2.0 ? ? 'X-RAY DIFFRACTION' -x_scbond_it ? 2.5 ? ? 'X-RAY DIFFRACTION' -x_scangle_it ? 2.5 ? ? 'X-RAY DIFFRACTION' -# -_refine_ls_shell.pdbx_total_number_of_bins_used 10 -_refine_ls_shell.d_res_high 2.80 -_refine_ls_shell.d_res_low 2.89 -_refine_ls_shell.number_reflns_R_work 1518 -_refine_ls_shell.R_factor_R_work 0.231 -_refine_ls_shell.percent_reflns_obs 77.2 -_refine_ls_shell.R_factor_R_free 0.33 -_refine_ls_shell.R_factor_R_free_error 0.039 -_refine_ls_shell.percent_reflns_R_free 4.3 -_refine_ls_shell.number_reflns_R_free 69 -_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' -# -loop_ -_pdbx_xplor_file.serial_no -_pdbx_xplor_file.param_file -_pdbx_xplor_file.topol_file -_pdbx_xplor_file.pdbx_refine_id -1 PARHCSDX.PRO TOPHCSDX.PRO 'X-RAY DIFFRACTION' -2 ? ? 'X-RAY DIFFRACTION' -# -_struct.entry_id 1FDO -_struct.title 'OXIDIZED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI' -_struct.pdbx_descriptor -;FORMATE DEHYDROGENASE H, IRON/SULFUR CLUSTER, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, MOLYBDENUM(VI) ION -; -_struct.pdbx_model_details ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 1FDO -_struct_keywords.pdbx_keywords OXIDOREDUCTASE -_struct_keywords.text -;OXIDOREDUCTASE, SELENIUM, SELENOCYSTEINE, SECYS, MOLYBDENUM, MOLYBDOPTERIN, MPT, MOLYBDOPTERIN GUANINE DINUCLEOTIDE, MGD, IRON SULFUR CLUSTER, FE4S4, FORMATE, DEHYDROGENASE, ANAEROBIC -; -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 2 ? -C N N 3 ? -D N N 3 ? -E N N 4 ? -F N N 5 ? -# -_struct_biol.id 1 -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 H1 LEU A 43 ? TYR A 47 ? LEU A 43 TYR A 47 1 ? 5 -HELX_P HELX_P2 G1 ASP A 50 ? ASN A 53 ? ASP A 50 ASN A 53 5 ? 4 -HELX_P HELX_P3 H2 TRP A 80 ? TYR A 98 ? TRP A 80 TYR A 98 1 ? 19 -HELX_P HELX_P4 H3 ASN A 114 ? ILE A 128 ? ASN A 114 ILE A 128 1 ? 15 -HELX_P HELX_P5 G2 CYS A 136 ? VAL A 139 ? CYS A 136 VAL A 139 5 ? 4 -HELX_P HELX_P6 H4 GLY A 142 ? VAL A 152 ? GLY A 142 VAL A 152 1 ? 11 -HELX_P HELX_P7 G3 ILE A 161 ? ASN A 166 ? ILE A 161 ASN A 166 5 ? 6 -HELX_P HELX_P8 H5 PRO A 177 ? SER A 180 ? PRO A 177 SER A 180 1 ? 4 -HELX_P HELX_P9 H6 PRO A 182 ? ARG A 193 ? PRO A 182 ARG A 193 1 ? 12 -HELX_P HELX_P10 G4 GLU A 207 ? ILE A 211 ? GLU A 207 ILE A 211 5 ? 5 -HELX_P HELX_P11 H7 ASN A 223 ? GLU A 236 ? ASN A 223 GLU A 236 1 ? 14 -HELX_P HELX_P12 H8 LYS A 242 ? ARG A 248 ? LYS A 242 ARG A 248 1 ? 7 -HELX_P HELX_P13 H9 PHE A 252 ? VAL A 259 ? PHE A 252 VAL A 259 1 ? 8 -HELX_P HELX_P14 H10 PRO A 264 ? THR A 271 ? PRO A 264 THR A 271 1 ? 8 -HELX_P HELX_P15 H11 ALA A 275 ? GLN A 287 ? ALA A 275 GLN A 287 1 ? 13 -HELX_P HELX_P16 H12 MET A 297 ? THR A 300 ? MET A 297 THR A 300 1 ? 4 -HELX_P HELX_P17 H13 GLY A 305 ? THR A 319 ? GLY A 305 THR A 319 1 ? 15 -HELX_P HELX_P18 H14 VAL A 338 ? ASP A 343 ? VAL A 338 ASP A 343 1 ? 6 -HELX_P HELX_P19 H15 PRO A 360 ? ALA A 369 ? PRO A 360 ALA A 369 1 ? 10 -HELX_P HELX_P20 H16 LEU A 386 ? ALA A 391 ? LEU A 386 ALA A 391 1 ? 6 -HELX_P HELX_P21 H17 PRO A 405 ? THR A 408 ? PRO A 405 THR A 408 1 ? 4 -HELX_P HELX_P22 H18 LEU A 412 ? ASP A 421 ? LEU A 412 ASP A 421 1 ? 10 -HELX_P HELX_P23 H19 LYS A 434 ? SER A 437 ? LYS A 434 SER A 437 1 ? 4 -HELX_P HELX_P24 H20 ASP A 478 ? ARG A 488 ? ASP A 478 ARG A 488 1 ? 11 -HELX_P HELX_P25 H21 THR A 498 ? LEU A 508 ? THR A 498 LEU A 508 1 ? 11 -HELX_P HELX_P26 H22 TYR A 517 ? MET A 520 ? TYR A 517 MET A 520 1 ? 4 -HELX_P HELX_P27 H23 MET A 591 ? ASN A 594 ? MET A 591 ASN A 594 1 ? 4 -HELX_P HELX_P28 H24 ALA A 596 ? LEU A 601 ? ALA A 596 LEU A 601 1 ? 6 -HELX_P HELX_P29 H25 THR A 612 ? LEU A 618 ? THR A 612 LEU A 618 1 ? 7 -HELX_P HELX_P30 G5 CYS A 661 ? LEU A 664 ? CYS A 661 LEU A 664 5 ? 4 -HELX_P HELX_P31 H26 GLN A 691 ? ALA A 715 ? GLN A 691 ALA A 715 1 ? 25 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -loop_ -_struct_conn.id -_struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id -_struct_conn.ptnr1_label_asym_id -_struct_conn.ptnr1_label_comp_id -_struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id -_struct_conn.ptnr1_symmetry -_struct_conn.ptnr2_label_asym_id -_struct_conn.ptnr2_label_comp_id -_struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id -_struct_conn.ptnr2_auth_asym_id -_struct_conn.ptnr2_auth_comp_id -_struct_conn.ptnr2_auth_seq_id -_struct_conn.ptnr2_symmetry -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_comp_id -_struct_conn.pdbx_ptnr3_label_asym_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details -_struct_conn.pdbx_dist_value -covale1 covale ? A CSE 140 N ? ? ? 1_555 A VAL 139 C ? ? A CSE 140 A VAL 139 1_555 ? ? ? ? ? ? ? 1.328 -covale2 covale ? A CSE 140 C ? ? ? 1_555 A HIS 141 N ? ? A CSE 140 A HIS 141 1_555 ? ? ? ? ? ? ? 1.327 -metalc1 metalc ? A CYS 8 SG ? ? ? 1_555 B SF4 . FE2 ? ? A CYS 8 A SF4 800 1_555 ? ? ? ? ? ? ? 2.331 -metalc2 metalc ? A CYS 11 SG ? ? ? 1_555 B SF4 . FE4 ? ? A CYS 11 A SF4 800 1_555 ? ? ? ? ? ? ? 2.346 -metalc3 metalc ? A CYS 15 SG ? ? ? 1_555 B SF4 . FE3 ? ? A CYS 15 A SF4 800 1_555 ? ? ? ? ? ? ? 2.244 -metalc4 metalc ? A CYS 42 SG ? ? ? 1_555 B SF4 . FE1 ? ? A CYS 42 A SF4 800 1_555 ? ? ? ? ? ? ? 2.371 -metalc5 metalc ? C MGD . S12 ? ? ? 1_555 E 6MO . MO ? ? A MGD 801 A 6MO 803 1_555 ? ? ? ? ? ? ? 2.490 -metalc6 metalc ? C MGD . S13 ? ? ? 1_555 E 6MO . MO ? ? A MGD 801 A 6MO 803 1_555 ? ? ? ? ? ? ? 2.347 -metalc7 metalc ? D MGD . S12 ? ? ? 1_555 E 6MO . MO ? ? A MGD 802 A 6MO 803 1_555 ? ? ? ? ? ? ? 2.374 -metalc8 metalc ? D MGD . S13 ? ? ? 1_555 E 6MO . MO ? ? A MGD 802 A 6MO 803 1_555 ? ? ? ? ? ? ? 2.443 -metalc9 metalc ? E 6MO . MO ? ? ? 1_555 F HOH . O ? ? A 6MO 803 A HOH 861 1_555 ? ? ? ? ? ? ? 2.140 -metalc10 metalc ? A CSE 140 SE ? ? ? 1_555 E 6MO . MO ? ? A CSE 140 A 6MO 803 1_555 ? ? ? ? ? ? ? 2.597 -# -loop_ -_struct_conn_type.id -_struct_conn_type.criteria -_struct_conn_type.reference -covale ? ? -metalc ? ? -# -loop_ -_struct_mon_prot_cis.pdbx_id -_struct_mon_prot_cis.label_comp_id -_struct_mon_prot_cis.label_seq_id -_struct_mon_prot_cis.label_asym_id -_struct_mon_prot_cis.label_alt_id -_struct_mon_prot_cis.pdbx_PDB_ins_code -_struct_mon_prot_cis.auth_comp_id -_struct_mon_prot_cis.auth_seq_id -_struct_mon_prot_cis.auth_asym_id -_struct_mon_prot_cis.pdbx_label_comp_id_2 -_struct_mon_prot_cis.pdbx_label_seq_id_2 -_struct_mon_prot_cis.pdbx_label_asym_id_2 -_struct_mon_prot_cis.pdbx_PDB_ins_code_2 -_struct_mon_prot_cis.pdbx_auth_comp_id_2 -_struct_mon_prot_cis.pdbx_auth_seq_id_2 -_struct_mon_prot_cis.pdbx_auth_asym_id_2 -_struct_mon_prot_cis.pdbx_PDB_model_num -_struct_mon_prot_cis.pdbx_omega_angle -1 TRP 528 A . ? TRP 528 A PRO 529 A ? PRO 529 A 1 -0.01 -2 GLU 604 A . ? GLU 604 A PRO 605 A ? PRO 605 A 1 0.01 -# -loop_ -_struct_sheet.id -_struct_sheet.type -_struct_sheet.number_strands -_struct_sheet.details -A ? 3 ? -B ? 6 ? -C ? 5 ? -D ? 3 ? -E ? 7 ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -A 1 2 ? anti-parallel -A 2 3 ? anti-parallel -B 1 2 ? anti-parallel -B 2 3 ? parallel -B 3 4 ? parallel -B 4 5 ? parallel -B 5 6 ? parallel -C 1 2 ? parallel -C 2 3 ? parallel -C 3 4 ? parallel -C 4 5 ? parallel -D 1 2 ? anti-parallel -D 2 3 ? anti-parallel -E 1 2 ? parallel -E 2 3 ? anti-parallel -E 3 4 ? parallel -E 4 5 ? anti-parallel -E 5 6 ? anti-parallel -E 6 7 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -A 1 LYS A 2 ? VAL A 7 ? ? LYS A 2 VAL A 7 -A 2 LYS A 16 ? VAL A 21 ? ? LYS A 16 VAL A 21 -A 3 ILE A 26 ? ALA A 31 ? ? ILE A 26 ALA A 31 -B 1 MET A 66 ? ARG A 68 ? ? MET A 66 ARG A 68 -B 2 VAL A 441 ? PRO A 444 ? ? VAL A 441 PRO A 444 -B 3 LEU A 424 ? ASP A 429 ? ? LEU A 424 ASP A 429 -B 4 ALA A 397 ? MET A 401 ? ? ALA A 397 MET A 401 -B 5 ILE A 103 ? THR A 106 ? ? ILE A 103 THR A 106 -B 6 VAL A 133 ? ASP A 134 ? ? VAL A 133 ASP A 134 -C 1 MET A 214 ? ILE A 216 ? ? MET A 214 ILE A 216 -C 2 LYS A 197 ? CYS A 201 ? ? LYS A 197 CYS A 201 -C 3 LEU A 169 ? PHE A 173 ? ? LEU A 169 PHE A 173 -C 4 ALA A 291 ? TRP A 295 ? ? ALA A 291 TRP A 295 -C 5 VAL A 329 ? PRO A 331 ? ? VAL A 329 PRO A 331 -D 1 GLY A 453 ? THR A 456 ? ? GLY A 453 THR A 456 -D 2 GLY A 461 ? PHE A 465 ? ? GLY A 461 PHE A 465 -D 3 ILE A 526 ? GLN A 527 ? ? ILE A 526 GLN A 527 -E 1 MET A 575 ? THR A 579 ? ? MET A 575 THR A 579 -E 2 ALA A 649 ? MET A 652 ? ? ALA A 649 MET A 652 -E 3 TYR A 607 ? ASN A 611 ? ? TYR A 607 ASN A 611 -E 4 LYS A 634 ? SER A 642 ? ? LYS A 634 SER A 642 -E 5 LEU A 625 ? HIS A 629 ? ? LEU A 625 HIS A 629 -E 6 TYR A 680 ? PRO A 687 ? ? TYR A 680 PRO A 687 -E 7 MET A 575 ? THR A 579 ? ? MET A 575 THR A 579 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -A 1 2 O THR A 6 ? O THR A 6 N ILE A 17 ? N ILE A 17 -A 2 3 O ASN A 18 ? O ASN A 18 N GLU A 30 ? N GLU A 30 -B 1 2 O MET A 66 ? O MET A 66 N ILE A 442 ? N ILE A 442 -B 2 3 N LEU A 443 ? N LEU A 443 O VAL A 427 ? O VAL A 427 -B 3 4 N ILE A 426 ? N ILE A 426 O ALA A 398 ? O ALA A 398 -B 4 5 N TYR A 399 ? N TYR A 399 O GLN A 104 ? O GLN A 104 -B 5 6 O THR A 105 ? O THR A 105 N ASP A 134 ? N ASP A 134 -C 1 2 N ILE A 216 ? N ILE A 216 O VAL A 200 ? O VAL A 200 -C 2 3 N ILE A 199 ? N ILE A 199 O VAL A 170 ? O VAL A 170 -C 3 4 O PHE A 171 ? O PHE A 171 N LEU A 294 ? N LEU A 294 -C 4 5 O ILE A 293 ? O ILE A 293 N ASN A 330 ? N ASN A 330 -D 1 2 O PHE A 455 ? O PHE A 455 N GLN A 463 ? N GLN A 463 -D 2 3 N PHE A 462 ? N PHE A 462 O ILE A 526 ? O ILE A 526 -E 1 2 N SER A 578 ? N SER A 578 O ILE A 650 ? O ILE A 650 -E 2 3 N TYR A 651 ? N TYR A 651 O GLN A 609 ? O GLN A 609 -E 3 4 O ALA A 608 ? O ALA A 608 N GLN A 640 ? N GLN A 640 -E 4 5 O ILE A 635 ? O ILE A 635 N VAL A 628 ? N VAL A 628 -E 5 6 O TRP A 627 ? O TRP A 627 N GLU A 686 ? N GLU A 686 -E 6 7 N VAL A 683 ? N VAL A 683 O MET A 575 ? O MET A 575 -# -loop_ -_struct_site.id -_struct_site.details -_struct_site.pdbx_evidence_code -MO4 -;THE MOLYBDENUM ATOM IS COORDINATED TO THE SELENIUM ATOM OF SEC 140, THE OXYGEN ATOM OF A HYDROXYL ION (HOH 63) AND THE FOUR SULFUR ATOMS OF MGD 801 AND MGD 802. -; -UNKNOWN -FS4 'THE IRON SULFUR CLUSTER IS COORDINATED TO THE SULFUR ATOMS OF CYS 8, CYS 11, CYS 15, AND CYS 42.' -UNKNOWN -AC1 'BINDING SITE FOR RESIDUE SF4 A 800' -SOFTWARE -AC2 'BINDING SITE FOR RESIDUE MGD A 801' -SOFTWARE -AC3 'BINDING SITE FOR RESIDUE MGD A 802' -SOFTWARE -AC4 'BINDING SITE FOR RESIDUE 6MO A 803' -SOFTWARE -# -loop_ -_struct_site_gen.id -_struct_site_gen.site_id -_struct_site_gen.pdbx_num_res -_struct_site_gen.label_comp_id -_struct_site_gen.label_asym_id -_struct_site_gen.label_seq_id -_struct_site_gen.pdbx_auth_ins_code -_struct_site_gen.auth_comp_id -_struct_site_gen.auth_asym_id -_struct_site_gen.auth_seq_id -_struct_site_gen.label_atom_id -_struct_site_gen.label_alt_id -_struct_site_gen.symmetry -_struct_site_gen.details -1 MO4 5 CSE A 140 ? CSE A 140 . . 1_555 ? -2 MO4 5 MGD C . ? MGD A 801 . . 1_555 ? -3 MO4 5 MGD D . ? MGD A 802 . . 1_555 ? -4 MO4 5 LYS A 63 ? LYS A 63 . . 1_555 ? -5 MO4 5 6MO E . ? 6MO A 803 . . 1_555 ? -6 FS4 5 SF4 B . ? SF4 A 800 . . 1_555 ? -7 FS4 5 CYS A 8 ? CYS A 8 . . 1_555 ? -8 FS4 5 CYS A 11 ? CYS A 11 . . 1_555 ? -9 FS4 5 CYS A 15 ? CYS A 15 . . 1_555 ? -10 FS4 5 CYS A 42 ? CYS A 42 . . 1_555 ? -11 AC1 10 CYS A 8 ? CYS A 8 . . 1_555 ? -12 AC1 10 TYR A 10 ? TYR A 10 . . 1_555 ? -13 AC1 10 CYS A 11 ? CYS A 11 . . 1_555 ? -14 AC1 10 SER A 13 ? SER A 13 . . 1_555 ? -15 AC1 10 CYS A 15 ? CYS A 15 . . 1_555 ? -16 AC1 10 LEU A 41 ? LEU A 41 . . 1_555 ? -17 AC1 10 CYS A 42 ? CYS A 42 . . 1_555 ? -18 AC1 10 LYS A 44 ? LYS A 44 . . 1_555 ? -19 AC1 10 GLY A 45 ? GLY A 45 . . 1_555 ? -20 AC1 10 PRO A 182 ? PRO A 182 . . 1_555 ? -21 AC2 36 ARG A 110 ? ARG A 110 . . 1_555 ? -22 AC2 36 GLY A 111 ? GLY A 111 . . 1_555 ? -23 AC2 36 THR A 112 ? THR A 112 . . 1_555 ? -24 AC2 36 VAL A 139 ? VAL A 139 . . 1_555 ? -25 AC2 36 CSE A 140 ? CSE A 140 . . 1_555 ? -26 AC2 36 MET A 297 ? MET A 297 . . 1_555 ? -27 AC2 36 GLN A 301 ? GLN A 301 . . 1_555 ? -28 AC2 36 GLN A 335 ? GLN A 335 . . 1_555 ? -29 AC2 36 GLY A 402 ? GLY A 402 . . 1_555 ? -30 AC2 36 GLU A 403 ? GLU A 403 . . 1_555 ? -31 AC2 36 ASP A 404 ? ASP A 404 . . 1_555 ? -32 AC2 36 THR A 408 ? THR A 408 . . 1_555 ? -33 AC2 36 GLN A 428 ? GLN A 428 . . 1_555 ? -34 AC2 36 ASP A 429 ? ASP A 429 . . 1_555 ? -35 AC2 36 ILE A 430 ? ILE A 430 . . 1_555 ? -36 AC2 36 PHE A 431 ? PHE A 431 . . 1_555 ? -37 AC2 36 THR A 433 ? THR A 433 . . 1_555 ? -38 AC2 36 SER A 445 ? SER A 445 . . 1_555 ? -39 AC2 36 THR A 446 ? THR A 446 . . 1_555 ? -40 AC2 36 HIS A 451 ? HIS A 451 . . 1_555 ? -41 AC2 36 ASP A 478 ? ASP A 478 . . 1_555 ? -42 AC2 36 THR A 579 ? THR A 579 . . 1_555 ? -43 AC2 36 ARG A 581 ? ARG A 581 . . 1_555 ? -44 AC2 36 SER A 587 ? SER A 587 . . 1_555 ? -45 AC2 36 CYS A 588 ? CYS A 588 . . 1_555 ? -46 AC2 36 SER A 590 ? SER A 590 . . 1_555 ? -47 AC2 36 TYR A 654 ? TYR A 654 . . 1_555 ? -48 AC2 36 CYS A 661 ? CYS A 661 . . 1_555 ? -49 AC2 36 ASN A 662 ? ASN A 662 . . 1_555 ? -50 AC2 36 TYR A 678 ? TYR A 678 . . 1_555 ? -51 AC2 36 LYS A 679 ? LYS A 679 . . 1_555 ? -52 AC2 36 MGD D . ? MGD A 802 . . 1_555 ? -53 AC2 36 6MO E . ? 6MO A 803 . . 1_555 ? -54 AC2 36 HOH F . ? HOH A 814 . . 1_555 ? -55 AC2 36 HOH F . ? HOH A 828 . . 1_555 ? -56 AC2 36 HOH F . ? HOH A 849 . . 1_555 ? -57 AC3 34 LYS A 44 ? LYS A 44 . . 1_555 ? -58 AC3 34 CSE A 140 ? CSE A 140 . . 1_555 ? -59 AC3 34 PHE A 173 ? PHE A 173 . . 1_555 ? -60 AC3 34 GLY A 174 ? GLY A 174 . . 1_555 ? -61 AC3 34 TYR A 175 ? TYR A 175 . . 1_555 ? -62 AC3 34 ASN A 176 ? ASN A 176 . . 1_555 ? -63 AC3 34 ASP A 179 ? ASP A 179 . . 1_555 ? -64 AC3 34 SER A 180 ? SER A 180 . . 1_555 ? -65 AC3 34 CYS A 201 ? CYS A 201 . . 1_555 ? -66 AC3 34 ASP A 202 ? ASP A 202 . . 1_555 ? -67 AC3 34 PRO A 203 ? PRO A 203 . . 1_555 ? -68 AC3 34 ARG A 204 ? ARG A 204 . . 1_555 ? -69 AC3 34 ILE A 206 ? ILE A 206 . . 1_555 ? -70 AC3 34 GLY A 221 ? GLY A 221 . . 1_555 ? -71 AC3 34 ASN A 223 ? ASN A 223 . . 1_555 ? -72 AC3 34 GLY A 296 ? GLY A 296 . . 1_555 ? -73 AC3 34 MET A 297 ? MET A 297 . . 1_555 ? -74 AC3 34 GLY A 298 ? GLY A 298 . . 1_555 ? -75 AC3 34 PHE A 302 ? PHE A 302 . . 1_555 ? -76 AC3 34 GLY A 334 ? GLY A 334 . . 1_555 ? -77 AC3 34 GLN A 335 ? GLN A 335 . . 1_555 ? -78 AC3 34 SER A 578 ? SER A 578 . . 1_555 ? -79 AC3 34 VAL A 580 ? VAL A 580 . . 1_555 ? -80 AC3 34 ARG A 581 ? ARG A 581 . . 1_555 ? -81 AC3 34 GLU A 582 ? GLU A 582 . . 1_555 ? -82 AC3 34 VAL A 583 ? VAL A 583 . . 1_555 ? -83 AC3 34 HIS A 585 ? HIS A 585 . . 1_555 ? -84 AC3 34 TYR A 586 ? TYR A 586 . . 1_555 ? -85 AC3 34 SER A 587 ? SER A 587 . . 1_555 ? -86 AC3 34 TYR A 654 ? TYR A 654 . . 1_555 ? -87 AC3 34 LYS A 679 ? LYS A 679 . . 1_555 ? -88 AC3 34 MGD C . ? MGD A 801 . . 1_555 ? -89 AC3 34 6MO E . ? 6MO A 803 . . 1_555 ? -90 AC3 34 HOH F . ? HOH A 804 . . 1_555 ? -91 AC4 4 CSE A 140 ? CSE A 140 . . 1_555 ? -92 AC4 4 MGD C . ? MGD A 801 . . 1_555 ? -93 AC4 4 MGD D . ? MGD A 802 . . 1_555 ? -94 AC4 4 HOH F . ? HOH A 861 . . 1_555 ? -# -_database_PDB_matrix.entry_id 1FDO -_database_PDB_matrix.origx[1][1] 1.000000 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 1.000000 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 1.000000 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_atom_sites.entry_id 1FDO -_atom_sites.Cartn_transform_axes ? -_atom_sites.fract_transf_matrix[1][1] 0.006821 -_atom_sites.fract_transf_matrix[1][2] 0.000000 -_atom_sites.fract_transf_matrix[1][3] 0.000000 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 0.006821 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 0.012330 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_type.symbol -N -C -O -S -SE -FE -P -MO -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.Cartn_x_esd -_atom_site.Cartn_y_esd -_atom_site.Cartn_z_esd -_atom_site.occupancy_esd -_atom_site.B_iso_or_equiv_esd -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 N N . MET A 1 1 ? 69.175 1.588 30.187 1.00 30.48 ? ? ? ? ? ? 1 MET A N 1 -ATOM 2 C CA . MET A 1 1 ? 68.972 3.049 30.346 1.00 29.76 ? ? ? ? ? ? 1 MET A CA 1 -ATOM 3 C C . MET A 1 1 ? 70.121 3.387 31.249 1.00 30.39 ? ? ? ? ? ? 1 MET A C 1 -ATOM 4 O O . MET A 1 1 ? 70.396 2.622 32.169 1.00 32.08 ? ? ? ? ? ? 1 MET A O 1 -ATOM 5 C CB . MET A 1 1 ? 67.664 3.327 31.064 1.00 27.72 ? ? ? ? ? ? 1 MET A CB 1 -ATOM 6 C CG . MET A 1 1 ? 67.326 4.768 31.102 1.00 26.60 ? ? ? ? ? ? 1 MET A CG 1 -ATOM 7 S SD . MET A 1 1 ? 65.765 5.092 30.256 1.00 29.83 ? ? ? ? ? ? 1 MET A SD 1 -ATOM 8 C CE . MET A 1 1 ? 65.067 6.265 31.401 1.00 27.19 ? ? ? ? ? ? 1 MET A CE 1 -ATOM 9 N N . LYS A 1 2 ? 70.824 4.476 30.971 1.00 29.60 ? ? ? ? ? ? 2 LYS A N 1 -ATOM 10 C CA . LYS A 1 2 ? 71.962 4.841 31.790 1.00 28.27 ? ? ? ? ? ? 2 LYS A CA 1 -ATOM 11 C C . LYS A 1 2 ? 72.069 6.339 31.955 1.00 27.25 ? ? ? ? ? ? 2 LYS A C 1 -ATOM 12 O O . LYS A 1 2 ? 71.306 7.089 31.365 1.00 27.09 ? ? ? ? ? ? 2 LYS A O 1 -ATOM 13 C CB . LYS A 1 2 ? 73.259 4.300 31.185 1.00 28.17 ? ? ? ? ? ? 2 LYS A CB 1 -ATOM 14 C CG . LYS A 1 2 ? 73.572 4.849 29.807 1.00 30.42 ? ? ? ? ? ? 2 LYS A CG 1 -ATOM 15 C CD . LYS A 1 2 ? 75.031 4.619 29.479 1.00 33.82 ? ? ? ? ? ? 2 LYS A CD 1 -ATOM 16 C CE . LYS A 1 2 ? 75.476 5.391 28.238 1.00 35.40 ? ? ? ? ? ? 2 LYS A CE 1 -ATOM 17 N NZ . LYS A 1 2 ? 76.972 5.606 28.239 1.00 37.26 ? ? ? ? ? ? 2 LYS A NZ 1 -ATOM 18 N N . LYS A 1 3 ? 73.021 6.750 32.783 1.00 26.03 ? ? ? ? ? ? 3 LYS A N 1 -ATOM 19 C CA . LYS A 1 3 ? 73.286 8.143 33.052 1.00 25.07 ? ? ? ? ? ? 3 LYS A CA 1 -ATOM 20 C C . LYS A 1 3 ? 74.744 8.422 32.751 1.00 24.40 ? ? ? ? ? ? 3 LYS A C 1 -ATOM 21 O O . LYS A 1 3 ? 75.623 7.628 33.103 1.00 23.94 ? ? ? ? ? ? 3 LYS A O 1 -ATOM 22 C CB . LYS A 1 3 ? 72.942 8.490 34.497 1.00 25.34 ? ? ? ? ? ? 3 LYS A CB 1 -ATOM 23 C CG . LYS A 1 3 ? 71.494 8.911 34.622 1.00 28.94 ? ? ? ? ? ? 3 LYS A CG 1 -ATOM 24 C CD . LYS A 1 3 ? 71.097 9.284 36.036 1.00 32.47 ? ? ? ? ? ? 3 LYS A CD 1 -ATOM 25 C CE . LYS A 1 3 ? 69.576 9.295 36.165 1.00 34.47 ? ? ? ? ? ? 3 LYS A CE 1 -ATOM 26 N NZ . LYS A 1 3 ? 69.101 9.160 37.590 1.00 37.49 ? ? ? ? ? ? 3 LYS A NZ 1 -ATOM 27 N N . VAL A 1 4 ? 74.986 9.534 32.061 1.00 23.14 ? ? ? ? ? ? 4 VAL A N 1 -ATOM 28 C CA . VAL A 1 4 ? 76.326 9.955 31.669 1.00 21.10 ? ? ? ? ? ? 4 VAL A CA 1 -ATOM 29 C C . VAL A 1 4 ? 76.545 11.304 32.324 1.00 19.90 ? ? ? ? ? ? 4 VAL A C 1 -ATOM 30 O O . VAL A 1 4 ? 75.723 12.193 32.189 1.00 20.26 ? ? ? ? ? ? 4 VAL A O 1 -ATOM 31 C CB . VAL A 1 4 ? 76.439 10.086 30.116 1.00 20.76 ? ? ? ? ? ? 4 VAL A CB 1 -ATOM 32 C CG1 . VAL A 1 4 ? 77.835 10.449 29.695 1.00 19.06 ? ? ? ? ? ? 4 VAL A CG1 1 -ATOM 33 C CG2 . VAL A 1 4 ? 76.035 8.793 29.453 1.00 19.98 ? ? ? ? ? ? 4 VAL A CG2 1 -ATOM 34 N N . VAL A 1 5 ? 77.617 11.419 33.093 1.00 19.46 ? ? ? ? ? ? 5 VAL A N 1 -ATOM 35 C CA . VAL A 1 5 ? 77.959 12.651 33.788 1.00 18.42 ? ? ? ? ? ? 5 VAL A CA 1 -ATOM 36 C C . VAL A 1 5 ? 78.576 13.677 32.847 1.00 19.01 ? ? ? ? ? ? 5 VAL A C 1 -ATOM 37 O O . VAL A 1 5 ? 79.347 13.331 31.953 1.00 19.75 ? ? ? ? ? ? 5 VAL A O 1 -ATOM 38 C CB . VAL A 1 5 ? 78.954 12.357 34.894 1.00 18.09 ? ? ? ? ? ? 5 VAL A CB 1 -ATOM 39 C CG1 . VAL A 1 5 ? 79.429 13.643 35.535 1.00 20.21 ? ? ? ? ? ? 5 VAL A CG1 1 -ATOM 40 C CG2 . VAL A 1 5 ? 78.302 11.467 35.914 1.00 18.68 ? ? ? ? ? ? 5 VAL A CG2 1 -ATOM 41 N N . THR A 1 6 ? 78.228 14.942 33.029 1.00 18.60 ? ? ? ? ? ? 6 THR A N 1 -ATOM 42 C CA . THR A 1 6 ? 78.783 15.978 32.184 1.00 18.12 ? ? ? ? ? ? 6 THR A CA 1 -ATOM 43 C C . THR A 1 6 ? 78.759 17.269 32.969 1.00 17.46 ? ? ? ? ? ? 6 THR A C 1 -ATOM 44 O O . THR A 1 6 ? 78.338 17.293 34.124 1.00 18.94 ? ? ? ? ? ? 6 THR A O 1 -ATOM 45 C CB . THR A 1 6 ? 78.004 16.110 30.850 1.00 19.10 ? ? ? ? ? ? 6 THR A CB 1 -ATOM 46 O OG1 . THR A 1 6 ? 78.747 16.933 29.934 1.00 21.25 ? ? ? ? ? ? 6 THR A OG1 1 -ATOM 47 C CG2 . THR A 1 6 ? 76.630 16.712 31.074 1.00 17.41 ? ? ? ? ? ? 6 THR A CG2 1 -ATOM 48 N N . VAL A 1 7 ? 79.294 18.317 32.370 1.00 15.57 ? ? ? ? ? ? 7 VAL A N 1 -ATOM 49 C CA . VAL A 1 7 ? 79.340 19.631 32.978 1.00 14.73 ? ? ? ? ? ? 7 VAL A CA 1 -ATOM 50 C C . VAL A 1 7 ? 78.497 20.471 32.025 1.00 14.89 ? ? ? ? ? ? 7 VAL A C 1 -ATOM 51 O O . VAL A 1 7 ? 78.452 20.170 30.829 1.00 16.08 ? ? ? ? ? ? 7 VAL A O 1 -ATOM 52 C CB . VAL A 1 7 ? 80.799 20.147 33.018 1.00 13.81 ? ? ? ? ? ? 7 VAL A CB 1 -ATOM 53 C CG1 . VAL A 1 7 ? 80.837 21.626 33.302 1.00 17.03 ? ? ? ? ? ? 7 VAL A CG1 1 -ATOM 54 C CG2 . VAL A 1 7 ? 81.573 19.419 34.070 1.00 11.22 ? ? ? ? ? ? 7 VAL A CG2 1 -ATOM 55 N N . CYS A 1 8 ? 77.788 21.478 32.530 1.00 13.78 ? ? ? ? ? ? 8 CYS A N 1 -ATOM 56 C CA . CYS A 1 8 ? 76.968 22.293 31.644 1.00 13.63 ? ? ? ? ? ? 8 CYS A CA 1 -ATOM 57 C C . CYS A 1 8 ? 77.798 23.194 30.714 1.00 13.28 ? ? ? ? ? ? 8 CYS A C 1 -ATOM 58 O O . CYS A 1 8 ? 78.718 23.883 31.161 1.00 12.55 ? ? ? ? ? ? 8 CYS A O 1 -ATOM 59 C CB . CYS A 1 8 ? 75.963 23.114 32.439 1.00 13.13 ? ? ? ? ? ? 8 CYS A CB 1 -ATOM 60 S SG . CYS A 1 8 ? 74.930 24.219 31.417 1.00 15.41 ? ? ? ? ? ? 8 CYS A SG 1 -ATOM 61 N N . PRO A 1 9 ? 77.489 23.170 29.398 1.00 13.31 ? ? ? ? ? ? 9 PRO A N 1 -ATOM 62 C CA . PRO A 1 9 ? 78.121 23.928 28.303 1.00 13.31 ? ? ? ? ? ? 9 PRO A CA 1 -ATOM 63 C C . PRO A 1 9 ? 77.683 25.396 28.174 1.00 12.18 ? ? ? ? ? ? 9 PRO A C 1 -ATOM 64 O O . PRO A 1 9 ? 78.071 26.084 27.233 1.00 12.95 ? ? ? ? ? ? 9 PRO A O 1 -ATOM 65 C CB . PRO A 1 9 ? 77.677 23.153 27.065 1.00 13.41 ? ? ? ? ? ? 9 PRO A CB 1 -ATOM 66 C CG . PRO A 1 9 ? 76.300 22.754 27.427 1.00 14.24 ? ? ? ? ? ? 9 PRO A CG 1 -ATOM 67 C CD . PRO A 1 9 ? 76.493 22.235 28.846 1.00 13.78 ? ? ? ? ? ? 9 PRO A CD 1 -ATOM 68 N N . TYR A 1 10 ? 76.897 25.879 29.120 1.00 10.40 ? ? ? ? ? ? 10 TYR A N 1 -ATOM 69 C CA . TYR A 1 10 ? 76.413 27.227 29.037 1.00 8.25 ? ? ? ? ? ? 10 TYR A CA 1 -ATOM 70 C C . TYR A 1 10 ? 77.295 28.130 29.828 1.00 8.66 ? ? ? ? ? ? 10 TYR A C 1 -ATOM 71 O O . TYR A 1 10 ? 78.385 28.434 29.350 1.00 10.76 ? ? ? ? ? ? 10 TYR A O 1 -ATOM 72 C CB . TYR A 1 10 ? 74.929 27.289 29.411 1.00 9.08 ? ? ? ? ? ? 10 TYR A CB 1 -ATOM 73 C CG . TYR A 1 10 ? 74.098 26.652 28.329 1.00 7.64 ? ? ? ? ? ? 10 TYR A CG 1 -ATOM 74 C CD1 . TYR A 1 10 ? 74.054 27.215 27.072 1.00 9.52 ? ? ? ? ? ? 10 TYR A CD1 1 -ATOM 75 C CD2 . TYR A 1 10 ? 73.451 25.435 28.523 1.00 10.91 ? ? ? ? ? ? 10 TYR A CD2 1 -ATOM 76 C CE1 . TYR A 1 10 ? 73.395 26.592 26.021 1.00 12.65 ? ? ? ? ? ? 10 TYR A CE1 1 -ATOM 77 C CE2 . TYR A 1 10 ? 72.782 24.784 27.464 1.00 10.79 ? ? ? ? ? ? 10 TYR A CE2 1 -ATOM 78 C CZ . TYR A 1 10 ? 72.768 25.382 26.220 1.00 11.54 ? ? ? ? ? ? 10 TYR A CZ 1 -ATOM 79 O OH . TYR A 1 10 ? 72.141 24.821 25.142 1.00 13.39 ? ? ? ? ? ? 10 TYR A OH 1 -ATOM 80 N N . CYS A 1 11 ? 76.910 28.525 31.040 1.00 7.48 ? ? ? ? ? ? 11 CYS A N 1 -ATOM 81 C CA . CYS A 1 11 ? 77.786 29.413 31.787 1.00 6.57 ? ? ? ? ? ? 11 CYS A CA 1 -ATOM 82 C C . CYS A 1 11 ? 78.971 28.767 32.537 1.00 5.85 ? ? ? ? ? ? 11 CYS A C 1 -ATOM 83 O O . CYS A 1 11 ? 79.159 27.562 32.502 1.00 4.79 ? ? ? ? ? ? 11 CYS A O 1 -ATOM 84 C CB . CYS A 1 11 ? 76.971 30.376 32.643 1.00 8.81 ? ? ? ? ? ? 11 CYS A CB 1 -ATOM 85 S SG . CYS A 1 11 ? 76.427 29.839 34.281 1.00 10.67 ? ? ? ? ? ? 11 CYS A SG 1 -ATOM 86 N N . ALA A 1 12 ? 79.852 29.581 33.108 1.00 7.23 ? ? ? ? ? ? 12 ALA A N 1 -ATOM 87 C CA . ALA A 1 12 ? 81.016 29.064 33.830 1.00 6.10 ? ? ? ? ? ? 12 ALA A CA 1 -ATOM 88 C C . ALA A 1 12 ? 80.757 28.635 35.267 1.00 6.03 ? ? ? ? ? ? 12 ALA A C 1 -ATOM 89 O O . ALA A 1 12 ? 81.692 28.497 36.046 1.00 5.99 ? ? ? ? ? ? 12 ALA A O 1 -ATOM 90 C CB . ALA A 1 12 ? 82.144 30.068 33.796 1.00 4.76 ? ? ? ? ? ? 12 ALA A CB 1 -ATOM 91 N N . SER A 1 13 ? 79.502 28.401 35.626 1.00 6.35 ? ? ? ? ? ? 13 SER A N 1 -ATOM 92 C CA . SER A 1 13 ? 79.202 27.978 36.984 1.00 7.00 ? ? ? ? ? ? 13 SER A CA 1 -ATOM 93 C C . SER A 1 13 ? 79.780 26.585 37.170 1.00 7.90 ? ? ? ? ? ? 13 SER A C 1 -ATOM 94 O O . SER A 1 13 ? 80.098 26.192 38.284 1.00 8.69 ? ? ? ? ? ? 13 SER A O 1 -ATOM 95 C CB . SER A 1 13 ? 77.700 27.983 37.226 1.00 8.25 ? ? ? ? ? ? 13 SER A CB 1 -ATOM 96 O OG . SER A 1 13 ? 77.152 29.275 36.993 1.00 11.86 ? ? ? ? ? ? 13 SER A OG 1 -ATOM 97 N N . GLY A 1 14 ? 79.891 25.842 36.070 1.00 8.07 ? ? ? ? ? ? 14 GLY A N 1 -ATOM 98 C CA . GLY A 1 14 ? 80.464 24.512 36.113 1.00 9.24 ? ? ? ? ? ? 14 GLY A CA 1 -ATOM 99 C C . GLY A 1 14 ? 79.571 23.473 36.743 1.00 11.39 ? ? ? ? ? ? 14 GLY A C 1 -ATOM 100 O O . GLY A 1 14 ? 80.049 22.531 37.412 1.00 11.36 ? ? ? ? ? ? 14 GLY A O 1 -ATOM 101 N N . CYS A 1 15 ? 78.268 23.639 36.532 1.00 11.42 ? ? ? ? ? ? 15 CYS A N 1 -ATOM 102 C CA . CYS A 1 15 ? 77.285 22.701 37.069 1.00 11.89 ? ? ? ? ? ? 15 CYS A CA 1 -ATOM 103 C C . CYS A 1 15 ? 77.440 21.306 36.452 1.00 11.67 ? ? ? ? ? ? 15 CYS A C 1 -ATOM 104 O O . CYS A 1 15 ? 77.611 21.180 35.242 1.00 11.28 ? ? ? ? ? ? 15 CYS A O 1 -ATOM 105 C CB . CYS A 1 15 ? 75.861 23.224 36.841 1.00 10.52 ? ? ? ? ? ? 15 CYS A CB 1 -ATOM 106 S SG . CYS A 1 15 ? 75.444 24.758 37.739 1.00 9.64 ? ? ? ? ? ? 15 CYS A SG 1 -ATOM 107 N N . LYS A 1 16 ? 77.469 20.287 37.313 1.00 12.41 ? ? ? ? ? ? 16 LYS A N 1 -ATOM 108 C CA . LYS A 1 16 ? 77.566 18.881 36.909 1.00 12.04 ? ? ? ? ? ? 16 LYS A CA 1 -ATOM 109 C C . LYS A 1 16 ? 76.156 18.340 36.606 1.00 13.46 ? ? ? ? ? ? 16 LYS A C 1 -ATOM 110 O O . LYS A 1 16 ? 75.238 18.457 37.434 1.00 13.62 ? ? ? ? ? ? 16 LYS A O 1 -ATOM 111 C CB . LYS A 1 16 ? 78.175 18.061 38.039 1.00 10.56 ? ? ? ? ? ? 16 LYS A CB 1 -ATOM 112 C CG . LYS A 1 16 ? 79.676 18.151 38.177 1.00 10.85 ? ? ? ? ? ? 16 LYS A CG 1 -ATOM 113 C CD . LYS A 1 16 ? 80.418 17.345 37.122 1.00 8.91 ? ? ? ? ? ? 16 LYS A CD 1 -ATOM 114 C CE . LYS A 1 16 ? 81.911 17.339 37.446 1.00 10.25 ? ? ? ? ? ? 16 LYS A CE 1 -ATOM 115 N NZ . LYS A 1 16 ? 82.818 16.677 36.464 1.00 10.07 ? ? ? ? ? ? 16 LYS A NZ 1 -ATOM 116 N N . ILE A 1 17 ? 76.010 17.702 35.451 1.00 14.25 ? ? ? ? ? ? 17 ILE A N 1 -ATOM 117 C CA . ILE A 1 17 ? 74.744 17.146 34.977 1.00 16.36 ? ? ? ? ? ? 17 ILE A CA 1 -ATOM 118 C C . ILE A 1 17 ? 74.831 15.635 34.742 1.00 18.80 ? ? ? ? ? ? 17 ILE A C 1 -ATOM 119 O O . ILE A 1 17 ? 75.912 15.111 34.413 1.00 20.85 ? ? ? ? ? ? 17 ILE A O 1 -ATOM 120 C CB . ILE A 1 17 ? 74.376 17.777 33.600 1.00 15.80 ? ? ? ? ? ? 17 ILE A CB 1 -ATOM 121 C CG1 . ILE A 1 17 ? 73.906 19.213 33.766 1.00 16.74 ? ? ? ? ? ? 17 ILE A CG1 1 -ATOM 122 C CG2 . ILE A 1 17 ? 73.318 16.949 32.842 1.00 15.52 ? ? ? ? ? ? 17 ILE A CG2 1 -ATOM 123 C CD1 . ILE A 1 17 ? 73.472 19.804 32.445 1.00 20.20 ? ? ? ? ? ? 17 ILE A CD1 1 -ATOM 124 N N . ASN A 1 18 ? 73.693 14.952 34.911 1.00 18.64 ? ? ? ? ? ? 18 ASN A N 1 -ATOM 125 C CA . ASN A 1 18 ? 73.557 13.523 34.638 1.00 16.77 ? ? ? ? ? ? 18 ASN A CA 1 -ATOM 126 C C . ASN A 1 18 ? 72.631 13.541 33.442 1.00 18.04 ? ? ? ? ? ? 18 ASN A C 1 -ATOM 127 O O . ASN A 1 18 ? 71.503 14.040 33.538 1.00 18.74 ? ? ? ? ? ? 18 ASN A O 1 -ATOM 128 C CB . ASN A 1 18 ? 72.826 12.788 35.748 1.00 15.99 ? ? ? ? ? ? 18 ASN A CB 1 -ATOM 129 C CG . ASN A 1 18 ? 73.702 12.476 36.907 1.00 17.06 ? ? ? ? ? ? 18 ASN A CG 1 -ATOM 130 O OD1 . ASN A 1 18 ? 74.921 12.513 36.804 1.00 18.00 ? ? ? ? ? ? 18 ASN A OD1 1 -ATOM 131 N ND2 . ASN A 1 18 ? 73.090 12.180 38.039 1.00 16.10 ? ? ? ? ? ? 18 ASN A ND2 1 -ATOM 132 N N . LEU A 1 19 ? 73.133 13.123 32.290 1.00 18.11 ? ? ? ? ? ? 19 LEU A N 1 -ATOM 133 C CA . LEU A 1 19 ? 72.331 13.062 31.083 1.00 17.38 ? ? ? ? ? ? 19 LEU A CA 1 -ATOM 134 C C . LEU A 1 19 ? 71.880 11.621 31.039 1.00 17.17 ? ? ? ? ? ? 19 LEU A C 1 -ATOM 135 O O . LEU A 1 19 ? 72.720 10.732 31.045 1.00 17.68 ? ? ? ? ? ? 19 LEU A O 1 -ATOM 136 C CB . LEU A 1 19 ? 73.187 13.353 29.842 1.00 17.95 ? ? ? ? ? ? 19 LEU A CB 1 -ATOM 137 C CG . LEU A 1 19 ? 73.656 14.775 29.498 1.00 17.39 ? ? ? ? ? ? 19 LEU A CG 1 -ATOM 138 C CD1 . LEU A 1 19 ? 74.857 14.749 28.543 1.00 14.48 ? ? ? ? ? ? 19 LEU A CD1 1 -ATOM 139 C CD2 . LEU A 1 19 ? 72.505 15.522 28.874 1.00 17.68 ? ? ? ? ? ? 19 LEU A CD2 1 -ATOM 140 N N . VAL A 1 20 ? 70.574 11.386 31.055 1.00 17.12 ? ? ? ? ? ? 20 VAL A N 1 -ATOM 141 C CA . VAL A 1 20 ? 70.040 10.030 31.003 1.00 18.56 ? ? ? ? ? ? 20 VAL A CA 1 -ATOM 142 C C . VAL A 1 20 ? 69.995 9.631 29.532 1.00 20.83 ? ? ? ? ? ? 20 VAL A C 1 -ATOM 143 O O . VAL A 1 20 ? 69.382 10.338 28.735 1.00 23.67 ? ? ? ? ? ? 20 VAL A O 1 -ATOM 144 C CB . VAL A 1 20 ? 68.582 9.964 31.543 1.00 17.48 ? ? ? ? ? ? 20 VAL A CB 1 -ATOM 145 C CG1 . VAL A 1 20 ? 68.120 8.533 31.649 1.00 12.38 ? ? ? ? ? ? 20 VAL A CG1 1 -ATOM 146 C CG2 . VAL A 1 20 ? 68.463 10.682 32.873 1.00 17.16 ? ? ? ? ? ? 20 VAL A CG2 1 -ATOM 147 N N . VAL A 1 21 ? 70.684 8.562 29.151 1.00 22.11 ? ? ? ? ? ? 21 VAL A N 1 -ATOM 148 C CA . VAL A 1 21 ? 70.653 8.109 27.772 1.00 24.31 ? ? ? ? ? ? 21 VAL A CA 1 -ATOM 149 C C . VAL A 1 21 ? 69.834 6.843 27.758 1.00 27.10 ? ? ? ? ? ? 21 VAL A C 1 -ATOM 150 O O . VAL A 1 21 ? 69.899 6.050 28.696 1.00 27.74 ? ? ? ? ? ? 21 VAL A O 1 -ATOM 151 C CB . VAL A 1 21 ? 72.059 7.791 27.202 1.00 23.79 ? ? ? ? ? ? 21 VAL A CB 1 -ATOM 152 C CG1 . VAL A 1 21 ? 71.943 7.200 25.788 1.00 22.56 ? ? ? ? ? ? 21 VAL A CG1 1 -ATOM 153 C CG2 . VAL A 1 21 ? 72.896 9.044 27.159 1.00 24.60 ? ? ? ? ? ? 21 VAL A CG2 1 -ATOM 154 N N . ASP A 1 22 ? 69.020 6.688 26.722 1.00 30.44 ? ? ? ? ? ? 22 ASP A N 1 -ATOM 155 C CA . ASP A 1 22 ? 68.190 5.514 26.558 1.00 33.28 ? ? ? ? ? ? 22 ASP A CA 1 -ATOM 156 C C . ASP A 1 22 ? 68.269 5.143 25.086 1.00 35.17 ? ? ? ? ? ? 22 ASP A C 1 -ATOM 157 O O . ASP A 1 22 ? 67.928 5.948 24.199 1.00 34.57 ? ? ? ? ? ? 22 ASP A O 1 -ATOM 158 C CB . ASP A 1 22 ? 66.750 5.771 26.995 1.00 34.31 ? ? ? ? ? ? 22 ASP A CB 1 -ATOM 159 C CG . ASP A 1 22 ? 65.880 4.525 26.867 1.00 37.37 ? ? ? ? ? ? 22 ASP A CG 1 -ATOM 160 O OD1 . ASP A 1 22 ? 66.424 3.385 26.868 1.00 35.25 ? ? ? ? ? ? 22 ASP A OD1 1 -ATOM 161 O OD2 . ASP A 1 22 ? 64.646 4.693 26.746 1.00 39.28 ? ? ? ? ? ? 22 ASP A OD2 1 -ATOM 162 N N . ASN A 1 23 ? 68.702 3.902 24.853 1.00 37.39 ? ? ? ? ? ? 23 ASN A N 1 -ATOM 163 C CA . ASN A 1 23 ? 68.935 3.355 23.519 1.00 38.31 ? ? ? ? ? ? 23 ASN A CA 1 -ATOM 164 C C . ASN A 1 23 ? 70.160 4.116 23.043 1.00 37.74 ? ? ? ? ? ? 23 ASN A C 1 -ATOM 165 O O . ASN A 1 23 ? 71.205 4.040 23.699 1.00 40.79 ? ? ? ? ? ? 23 ASN A O 1 -ATOM 166 C CB . ASN A 1 23 ? 67.723 3.522 22.601 1.00 41.10 ? ? ? ? ? ? 23 ASN A CB 1 -ATOM 167 C CG . ASN A 1 23 ? 66.849 2.277 22.582 1.00 44.24 ? ? ? ? ? ? 23 ASN A CG 1 -ATOM 168 O OD1 . ASN A 1 23 ? 65.925 2.122 23.399 1.00 46.90 ? ? ? ? ? ? 23 ASN A OD1 1 -ATOM 169 N ND2 . ASN A 1 23 ? 67.167 1.356 21.679 1.00 44.81 ? ? ? ? ? ? 23 ASN A ND2 1 -ATOM 170 N N . GLY A 1 24 ? 70.064 4.887 21.974 1.00 35.04 ? ? ? ? ? ? 24 GLY A N 1 -ATOM 171 C CA . GLY A 1 24 ? 71.244 5.631 21.576 1.00 32.94 ? ? ? ? ? ? 24 GLY A CA 1 -ATOM 172 C C . GLY A 1 24 ? 70.944 7.109 21.542 1.00 30.17 ? ? ? ? ? ? 24 GLY A C 1 -ATOM 173 O O . GLY A 1 24 ? 71.494 7.839 20.727 1.00 28.38 ? ? ? ? ? ? 24 GLY A O 1 -ATOM 174 N N . LYS A 1 25 ? 70.091 7.553 22.455 1.00 29.74 ? ? ? ? ? ? 25 LYS A N 1 -ATOM 175 C CA . LYS A 1 25 ? 69.668 8.940 22.474 1.00 28.86 ? ? ? ? ? ? 25 LYS A CA 1 -ATOM 176 C C . LYS A 1 25 ? 69.648 9.561 23.865 1.00 28.27 ? ? ? ? ? ? 25 LYS A C 1 -ATOM 177 O O . LYS A 1 25 ? 69.442 8.860 24.858 1.00 26.35 ? ? ? ? ? ? 25 LYS A O 1 -ATOM 178 C CB . LYS A 1 25 ? 68.262 9.017 21.887 1.00 28.61 ? ? ? ? ? ? 25 LYS A CB 1 -ATOM 179 C CG . LYS A 1 25 ? 68.107 8.356 20.541 1.00 30.81 ? ? ? ? ? ? 25 LYS A CG 1 -ATOM 180 C CD . LYS A 1 25 ? 66.767 7.658 20.426 1.00 33.37 ? ? ? ? ? ? 25 LYS A CD 1 -ATOM 181 C CE . LYS A 1 25 ? 66.268 7.674 18.993 1.00 36.38 ? ? ? ? ? ? 25 LYS A CE 1 -ATOM 182 N NZ . LYS A 1 25 ? 66.075 9.080 18.470 1.00 39.20 ? ? ? ? ? ? 25 LYS A NZ 1 -ATOM 183 N N . ILE A 1 26 ? 69.897 10.872 23.930 1.00 27.96 ? ? ? ? ? ? 26 ILE A N 1 -ATOM 184 C CA . ILE A 1 26 ? 69.837 11.583 25.203 1.00 28.22 ? ? ? ? ? ? 26 ILE A CA 1 -ATOM 185 C C . ILE A 1 26 ? 68.356 11.793 25.443 1.00 27.82 ? ? ? ? ? ? 26 ILE A C 1 -ATOM 186 O O . ILE A 1 26 ? 67.631 12.316 24.587 1.00 26.95 ? ? ? ? ? ? 26 ILE A O 1 -ATOM 187 C CB . ILE A 1 26 ? 70.541 12.944 25.191 1.00 28.64 ? ? ? ? ? ? 26 ILE A CB 1 -ATOM 188 C CG1 . ILE A 1 26 ? 72.064 12.746 25.233 1.00 26.91 ? ? ? ? ? ? 26 ILE A CG1 1 -ATOM 189 C CG2 . ILE A 1 26 ? 70.061 13.766 26.407 1.00 28.85 ? ? ? ? ? ? 26 ILE A CG2 1 -ATOM 190 C CD1 . ILE A 1 26 ? 72.854 13.918 24.737 1.00 23.69 ? ? ? ? ? ? 26 ILE A CD1 1 -ATOM 191 N N . VAL A 1 27 ? 67.936 11.400 26.633 1.00 27.14 ? ? ? ? ? ? 27 VAL A N 1 -ATOM 192 C CA . VAL A 1 27 ? 66.545 11.431 27.020 1.00 26.20 ? ? ? ? ? ? 27 VAL A CA 1 -ATOM 193 C C . VAL A 1 27 ? 66.134 12.561 27.959 1.00 25.99 ? ? ? ? ? ? 27 VAL A C 1 -ATOM 194 O O . VAL A 1 27 ? 65.068 13.167 27.802 1.00 26.17 ? ? ? ? ? ? 27 VAL A O 1 -ATOM 195 C CB . VAL A 1 27 ? 66.202 10.050 27.602 1.00 24.53 ? ? ? ? ? ? 27 VAL A CB 1 -ATOM 196 C CG1 . VAL A 1 27 ? 65.574 10.143 28.959 1.00 23.95 ? ? ? ? ? ? 27 VAL A CG1 1 -ATOM 197 C CG2 . VAL A 1 27 ? 65.352 9.315 26.648 1.00 23.76 ? ? ? ? ? ? 27 VAL A CG2 1 -ATOM 198 N N . ARG A 1 28 ? 67.014 12.889 28.890 1.00 25.70 ? ? ? ? ? ? 28 ARG A N 1 -ATOM 199 C CA . ARG A 1 28 ? 66.715 13.911 29.872 1.00 24.59 ? ? ? ? ? ? 28 ARG A CA 1 -ATOM 200 C C . ARG A 1 28 ? 68.023 14.310 30.550 1.00 25.29 ? ? ? ? ? ? 28 ARG A C 1 -ATOM 201 O O . ARG A 1 28 ? 69.039 13.598 30.418 1.00 24.61 ? ? ? ? ? ? 28 ARG A O 1 -ATOM 202 C CB . ARG A 1 28 ? 65.703 13.333 30.869 1.00 22.94 ? ? ? ? ? ? 28 ARG A CB 1 -ATOM 203 C CG . ARG A 1 28 ? 65.704 13.903 32.251 1.00 21.95 ? ? ? ? ? ? 28 ARG A CG 1 -ATOM 204 C CD . ARG A 1 28 ? 64.547 13.339 33.037 1.00 22.69 ? ? ? ? ? ? 28 ARG A CD 1 -ATOM 205 N NE . ARG A 1 28 ? 64.655 11.891 33.149 1.00 23.43 ? ? ? ? ? ? 28 ARG A NE 1 -ATOM 206 C CZ . ARG A 1 28 ? 65.354 11.261 34.094 1.00 25.30 ? ? ? ? ? ? 28 ARG A CZ 1 -ATOM 207 N NH1 . ARG A 1 28 ? 66.010 11.954 35.024 1.00 23.59 ? ? ? ? ? ? 28 ARG A NH1 1 -ATOM 208 N NH2 . ARG A 1 28 ? 65.405 9.927 34.101 1.00 25.43 ? ? ? ? ? ? 28 ARG A NH2 1 -ATOM 209 N N . ALA A 1 29 ? 67.998 15.479 31.197 1.00 24.08 ? ? ? ? ? ? 29 ALA A N 1 -ATOM 210 C CA . ALA A 1 29 ? 69.130 16.050 31.904 1.00 22.52 ? ? ? ? ? ? 29 ALA A CA 1 -ATOM 211 C C . ALA A 1 29 ? 68.695 16.284 33.326 1.00 22.90 ? ? ? ? ? ? 29 ALA A C 1 -ATOM 212 O O . ALA A 1 29 ? 67.579 16.712 33.570 1.00 25.45 ? ? ? ? ? ? 29 ALA A O 1 -ATOM 213 C CB . ALA A 1 29 ? 69.499 17.370 31.281 1.00 22.58 ? ? ? ? ? ? 29 ALA A CB 1 -ATOM 214 N N . GLU A 1 30 ? 69.561 16.006 34.278 1.00 22.86 ? ? ? ? ? ? 30 GLU A N 1 -ATOM 215 C CA . GLU A 1 30 ? 69.221 16.226 35.673 1.00 21.56 ? ? ? ? ? ? 30 GLU A CA 1 -ATOM 216 C C . GLU A 1 30 ? 70.471 16.611 36.441 1.00 20.13 ? ? ? ? ? ? 30 GLU A C 1 -ATOM 217 O O . GLU A 1 30 ? 71.563 16.104 36.169 1.00 20.50 ? ? ? ? ? ? 30 GLU A O 1 -ATOM 218 C CB . GLU A 1 30 ? 68.578 14.977 36.280 1.00 23.78 ? ? ? ? ? ? 30 GLU A CB 1 -ATOM 219 C CG . GLU A 1 30 ? 69.339 13.684 36.038 1.00 26.26 ? ? ? ? ? ? 30 GLU A CG 1 -ATOM 220 C CD . GLU A 1 30 ? 68.968 12.610 37.039 1.00 27.37 ? ? ? ? ? ? 30 GLU A CD 1 -ATOM 221 O OE1 . GLU A 1 30 ? 67.856 12.050 36.930 1.00 28.22 ? ? ? ? ? ? 30 GLU A OE1 1 -ATOM 222 O OE2 . GLU A 1 30 ? 69.786 12.339 37.946 1.00 28.01 ? ? ? ? ? ? 30 GLU A OE2 1 -ATOM 223 N N . ALA A 1 31 ? 70.325 17.540 37.370 1.00 17.77 ? ? ? ? ? ? 31 ALA A N 1 -ATOM 224 C CA . ALA A 1 31 ? 71.468 17.974 38.151 1.00 17.33 ? ? ? ? ? ? 31 ALA A CA 1 -ATOM 225 C C . ALA A 1 31 ? 72.205 16.805 38.793 1.00 16.15 ? ? ? ? ? ? 31 ALA A C 1 -ATOM 226 O O . ALA A 1 31 ? 71.605 15.806 39.122 1.00 16.80 ? ? ? ? ? ? 31 ALA A O 1 -ATOM 227 C CB . ALA A 1 31 ? 71.027 18.946 39.209 1.00 16.48 ? ? ? ? ? ? 31 ALA A CB 1 -ATOM 228 N N . ALA A 1 32 ? 73.519 16.928 38.904 1.00 15.93 ? ? ? ? ? ? 32 ALA A N 1 -ATOM 229 C CA . ALA A 1 32 ? 74.367 15.927 39.528 1.00 14.39 ? ? ? ? ? ? 32 ALA A CA 1 -ATOM 230 C C . ALA A 1 32 ? 74.911 16.629 40.767 1.00 13.10 ? ? ? ? ? ? 32 ALA A C 1 -ATOM 231 O O . ALA A 1 32 ? 74.755 17.834 40.893 1.00 12.71 ? ? ? ? ? ? 32 ALA A O 1 -ATOM 232 C CB . ALA A 1 32 ? 75.496 15.545 38.596 1.00 14.67 ? ? ? ? ? ? 32 ALA A CB 1 -ATOM 233 N N . GLN A 1 33 ? 75.510 15.900 41.701 1.00 13.31 ? ? ? ? ? ? 33 GLN A N 1 -ATOM 234 C CA . GLN A 1 33 ? 76.040 16.547 42.894 1.00 13.40 ? ? ? ? ? ? 33 GLN A CA 1 -ATOM 235 C C . GLN A 1 33 ? 77.446 17.115 42.644 1.00 14.79 ? ? ? ? ? ? 33 GLN A C 1 -ATOM 236 O O . GLN A 1 33 ? 78.435 16.646 43.216 1.00 16.50 ? ? ? ? ? ? 33 GLN A O 1 -ATOM 237 C CB . GLN A 1 33 ? 76.054 15.594 44.088 1.00 12.32 ? ? ? ? ? ? 33 GLN A CB 1 -ATOM 238 C CG . GLN A 1 33 ? 74.691 15.079 44.522 1.00 13.95 ? ? ? ? ? ? 33 GLN A CG 1 -ATOM 239 C CD . GLN A 1 33 ? 73.664 16.186 44.741 1.00 15.02 ? ? ? ? ? ? 33 GLN A CD 1 -ATOM 240 O OE1 . GLN A 1 33 ? 73.928 17.157 45.450 1.00 12.94 ? ? ? ? ? ? 33 GLN A OE1 1 -ATOM 241 N NE2 . GLN A 1 33 ? 72.480 16.038 44.124 1.00 12.69 ? ? ? ? ? ? 33 GLN A NE2 1 -ATOM 242 N N . GLY A 1 34 ? 77.529 18.089 41.746 1.00 14.99 ? ? ? ? ? ? 34 GLY A N 1 -ATOM 243 C CA . GLY A 1 34 ? 78.791 18.729 41.452 1.00 15.83 ? ? ? ? ? ? 34 GLY A CA 1 -ATOM 244 C C . GLY A 1 34 ? 79.191 19.597 42.646 1.00 18.04 ? ? ? ? ? ? 34 GLY A C 1 -ATOM 245 O O . GLY A 1 34 ? 78.383 19.821 43.561 1.00 18.01 ? ? ? ? ? ? 34 GLY A O 1 -ATOM 246 N N . LYS A 1 35 ? 80.400 20.156 42.586 1.00 17.09 ? ? ? ? ? ? 35 LYS A N 1 -ATOM 247 C CA . LYS A 1 35 ? 80.960 20.968 43.650 1.00 16.62 ? ? ? ? ? ? 35 LYS A CA 1 -ATOM 248 C C . LYS A 1 35 ? 80.288 22.328 43.782 1.00 17.22 ? ? ? ? ? ? 35 LYS A C 1 -ATOM 249 O O . LYS A 1 35 ? 80.038 22.795 44.890 1.00 17.76 ? ? ? ? ? ? 35 LYS A O 1 -ATOM 250 C CB . LYS A 1 35 ? 82.476 21.107 43.418 1.00 17.15 ? ? ? ? ? ? 35 LYS A CB 1 -ATOM 251 C CG . LYS A 1 35 ? 83.247 22.003 44.380 1.00 14.86 ? ? ? ? ? ? 35 LYS A CG 1 -ATOM 252 C CD . LYS A 1 35 ? 83.118 21.528 45.779 1.00 14.22 ? ? ? ? ? ? 35 LYS A CD 1 -ATOM 253 C CE . LYS A 1 35 ? 84.001 22.310 46.707 1.00 15.92 ? ? ? ? ? ? 35 LYS A CE 1 -ATOM 254 N NZ . LYS A 1 35 ? 85.272 21.582 46.986 1.00 20.82 ? ? ? ? ? ? 35 LYS A NZ 1 -ATOM 255 N N . THR A 1 36 ? 79.971 22.948 42.651 1.00 17.56 ? ? ? ? ? ? 36 THR A N 1 -ATOM 256 C CA . THR A 1 36 ? 79.333 24.264 42.653 1.00 16.86 ? ? ? ? ? ? 36 THR A CA 1 -ATOM 257 C C . THR A 1 36 ? 77.816 24.218 42.796 1.00 17.27 ? ? ? ? ? ? 36 THR A C 1 -ATOM 258 O O . THR A 1 36 ? 77.241 24.885 43.656 1.00 17.88 ? ? ? ? ? ? 36 THR A O 1 -ATOM 259 C CB . THR A 1 36 ? 79.633 25.048 41.361 1.00 14.42 ? ? ? ? ? ? 36 THR A CB 1 -ATOM 260 O OG1 . THR A 1 36 ? 79.196 24.288 40.232 1.00 13.09 ? ? ? ? ? ? 36 THR A OG1 1 -ATOM 261 C CG2 . THR A 1 36 ? 81.104 25.308 41.236 1.00 14.28 ? ? ? ? ? ? 36 THR A CG2 1 -ATOM 262 N N . ASN A 1 37 ? 77.179 23.432 41.939 1.00 17.64 ? ? ? ? ? ? 37 ASN A N 1 -ATOM 263 C CA . ASN A 1 37 ? 75.726 23.327 41.901 1.00 17.40 ? ? ? ? ? ? 37 ASN A CA 1 -ATOM 264 C C . ASN A 1 37 ? 75.061 22.392 42.882 1.00 16.75 ? ? ? ? ? ? 37 ASN A C 1 -ATOM 265 O O . ASN A 1 37 ? 73.877 22.550 43.135 1.00 17.67 ? ? ? ? ? ? 37 ASN A O 1 -ATOM 266 C CB . ASN A 1 37 ? 75.266 22.923 40.506 1.00 17.55 ? ? ? ? ? ? 37 ASN A CB 1 -ATOM 267 C CG . ASN A 1 37 ? 75.624 21.514 40.193 1.00 16.61 ? ? ? ? ? ? 37 ASN A CG 1 -ATOM 268 O OD1 . ASN A 1 37 ? 76.700 21.061 40.569 1.00 17.72 ? ? ? ? ? ? 37 ASN A OD1 1 -ATOM 269 N ND2 . ASN A 1 37 ? 74.727 20.791 39.542 1.00 17.21 ? ? ? ? ? ? 37 ASN A ND2 1 -ATOM 270 N N . GLN A 1 38 ? 75.742 21.328 43.286 1.00 15.92 ? ? ? ? ? ? 38 GLN A N 1 -ATOM 271 C CA . GLN A 1 38 ? 75.163 20.397 44.245 1.00 15.60 ? ? ? ? ? ? 38 GLN A CA 1 -ATOM 272 C C . GLN A 1 38 ? 73.682 20.066 44.033 1.00 15.30 ? ? ? ? ? ? 38 GLN A C 1 -ATOM 273 O O . GLN A 1 38 ? 72.819 20.510 44.792 1.00 14.38 ? ? ? ? ? ? 38 GLN A O 1 -ATOM 274 C CB . GLN A 1 38 ? 75.341 20.926 45.650 1.00 16.29 ? ? ? ? ? ? 38 GLN A CB 1 -ATOM 275 C CG . GLN A 1 38 ? 76.746 20.819 46.168 1.00 24.24 ? ? ? ? ? ? 38 GLN A CG 1 -ATOM 276 C CD . GLN A 1 38 ? 76.917 21.586 47.464 1.00 29.20 ? ? ? ? ? ? 38 GLN A CD 1 -ATOM 277 O OE1 . GLN A 1 38 ? 76.454 21.142 48.534 1.00 33.05 ? ? ? ? ? ? 38 GLN A OE1 1 -ATOM 278 N NE2 . GLN A 1 38 ? 77.545 22.768 47.381 1.00 28.18 ? ? ? ? ? ? 38 GLN A NE2 1 -ATOM 279 N N . GLY A 1 39 ? 73.380 19.354 42.956 1.00 14.46 ? ? ? ? ? ? 39 GLY A N 1 -ATOM 280 C CA . GLY A 1 39 ? 72.007 18.966 42.723 1.00 13.89 ? ? ? ? ? ? 39 GLY A CA 1 -ATOM 281 C C . GLY A 1 39 ? 71.076 19.991 42.115 1.00 13.33 ? ? ? ? ? ? 39 GLY A C 1 -ATOM 282 O O . GLY A 1 39 ? 69.898 19.705 41.897 1.00 12.93 ? ? ? ? ? ? 39 GLY A O 1 -ATOM 283 N N . THR A 1 40 ? 71.566 21.186 41.834 1.00 13.08 ? ? ? ? ? ? 40 THR A N 1 -ATOM 284 C CA . THR A 1 40 ? 70.697 22.154 41.209 1.00 10.91 ? ? ? ? ? ? 40 THR A CA 1 -ATOM 285 C C . THR A 1 40 ? 71.202 22.519 39.832 1.00 10.46 ? ? ? ? ? ? 40 THR A C 1 -ATOM 286 O O . THR A 1 40 ? 72.355 22.296 39.504 1.00 9.46 ? ? ? ? ? ? 40 THR A O 1 -ATOM 287 C CB . THR A 1 40 ? 70.602 23.414 42.016 1.00 10.09 ? ? ? ? ? ? 40 THR A CB 1 -ATOM 288 O OG1 . THR A 1 40 ? 71.827 24.150 41.905 1.00 11.23 ? ? ? ? ? ? 40 THR A OG1 1 -ATOM 289 C CG2 . THR A 1 40 ? 70.330 23.082 43.436 1.00 8.32 ? ? ? ? ? ? 40 THR A CG2 1 -ATOM 290 N N . LEU A 1 41 ? 70.310 23.092 39.041 1.00 11.29 ? ? ? ? ? ? 41 LEU A N 1 -ATOM 291 C CA . LEU A 1 41 ? 70.588 23.558 37.693 1.00 12.10 ? ? ? ? ? ? 41 LEU A CA 1 -ATOM 292 C C . LEU A 1 41 ? 69.552 24.641 37.450 1.00 11.96 ? ? ? ? ? ? 41 LEU A C 1 -ATOM 293 O O . LEU A 1 41 ? 68.568 24.759 38.191 1.00 11.19 ? ? ? ? ? ? 41 LEU A O 1 -ATOM 294 C CB . LEU A 1 41 ? 70.367 22.452 36.663 1.00 11.55 ? ? ? ? ? ? 41 LEU A CB 1 -ATOM 295 C CG . LEU A 1 41 ? 71.291 21.243 36.576 1.00 12.62 ? ? ? ? ? ? 41 LEU A CG 1 -ATOM 296 C CD1 . LEU A 1 41 ? 70.675 20.239 35.615 1.00 10.19 ? ? ? ? ? ? 41 LEU A CD1 1 -ATOM 297 C CD2 . LEU A 1 41 ? 72.693 21.657 36.114 1.00 12.93 ? ? ? ? ? ? 41 LEU A CD2 1 -ATOM 298 N N . CYS A 1 42 ? 69.757 25.414 36.396 1.00 12.27 ? ? ? ? ? ? 42 CYS A N 1 -ATOM 299 C CA . CYS A 1 42 ? 68.810 26.452 36.047 1.00 13.24 ? ? ? ? ? ? 42 CYS A CA 1 -ATOM 300 C C . CYS A 1 42 ? 68.144 25.974 34.771 1.00 13.08 ? ? ? ? ? ? 42 CYS A C 1 -ATOM 301 O O . CYS A 1 42 ? 68.565 24.975 34.203 1.00 14.16 ? ? ? ? ? ? 42 CYS A O 1 -ATOM 302 C CB . CYS A 1 42 ? 69.528 27.781 35.828 1.00 12.84 ? ? ? ? ? ? 42 CYS A CB 1 -ATOM 303 S SG . CYS A 1 42 ? 70.439 27.856 34.274 1.00 15.29 ? ? ? ? ? ? 42 CYS A SG 1 -ATOM 304 N N . LEU A 1 43 ? 67.103 26.674 34.343 1.00 14.36 ? ? ? ? ? ? 43 LEU A N 1 -ATOM 305 C CA . LEU A 1 43 ? 66.343 26.350 33.134 1.00 15.67 ? ? ? ? ? ? 43 LEU A CA 1 -ATOM 306 C C . LEU A 1 43 ? 67.197 25.872 31.956 1.00 15.88 ? ? ? ? ? ? 43 LEU A C 1 -ATOM 307 O O . LEU A 1 43 ? 66.896 24.856 31.354 1.00 16.88 ? ? ? ? ? ? 43 LEU A O 1 -ATOM 308 C CB . LEU A 1 43 ? 65.541 27.578 32.688 1.00 17.89 ? ? ? ? ? ? 43 LEU A CB 1 -ATOM 309 C CG . LEU A 1 43 ? 64.199 27.435 31.955 1.00 18.38 ? ? ? ? ? ? 43 LEU A CG 1 -ATOM 310 C CD1 . LEU A 1 43 ? 63.104 27.263 32.970 1.00 15.49 ? ? ? ? ? ? 43 LEU A CD1 1 -ATOM 311 C CD2 . LEU A 1 43 ? 63.941 28.697 31.124 1.00 17.35 ? ? ? ? ? ? 43 LEU A CD2 1 -ATOM 312 N N . LYS A 1 44 ? 68.261 26.591 31.626 1.00 17.06 ? ? ? ? ? ? 44 LYS A N 1 -ATOM 313 C CA . LYS A 1 44 ? 69.124 26.199 30.503 1.00 17.96 ? ? ? ? ? ? 44 LYS A CA 1 -ATOM 314 C C . LYS A 1 44 ? 69.827 24.856 30.698 1.00 18.35 ? ? ? ? ? ? 44 LYS A C 1 -ATOM 315 O O . LYS A 1 44 ? 69.846 24.021 29.801 1.00 19.59 ? ? ? ? ? ? 44 LYS A O 1 -ATOM 316 C CB . LYS A 1 44 ? 70.167 27.282 30.224 1.00 18.72 ? ? ? ? ? ? 44 LYS A CB 1 -ATOM 317 C CG . LYS A 1 44 ? 69.623 28.569 29.616 1.00 19.97 ? ? ? ? ? ? 44 LYS A CG 1 -ATOM 318 C CD . LYS A 1 44 ? 70.686 29.636 29.613 1.00 19.74 ? ? ? ? ? ? 44 LYS A CD 1 -ATOM 319 C CE . LYS A 1 44 ? 71.226 29.781 31.015 1.00 20.56 ? ? ? ? ? ? 44 LYS A CE 1 -ATOM 320 N NZ . LYS A 1 44 ? 72.208 30.870 31.121 1.00 22.37 ? ? ? ? ? ? 44 LYS A NZ 1 -ATOM 321 N N . GLY A 1 45 ? 70.432 24.651 31.859 1.00 18.84 ? ? ? ? ? ? 45 GLY A N 1 -ATOM 322 C CA . GLY A 1 45 ? 71.110 23.395 32.088 1.00 18.22 ? ? ? ? ? ? 45 GLY A CA 1 -ATOM 323 C C . GLY A 1 45 ? 70.110 22.272 31.946 1.00 18.95 ? ? ? ? ? ? 45 GLY A C 1 -ATOM 324 O O . GLY A 1 45 ? 70.395 21.276 31.286 1.00 19.14 ? ? ? ? ? ? 45 GLY A O 1 -ATOM 325 N N . TYR A 1 46 ? 68.912 22.488 32.494 1.00 19.15 ? ? ? ? ? ? 46 TYR A N 1 -ATOM 326 C CA . TYR A 1 46 ? 67.804 21.519 32.497 1.00 19.11 ? ? ? ? ? ? 46 TYR A CA 1 -ATOM 327 C C . TYR A 1 46 ? 67.153 21.269 31.149 1.00 18.38 ? ? ? ? ? ? 46 TYR A C 1 -ATOM 328 O O . TYR A 1 46 ? 66.897 20.132 30.790 1.00 19.29 ? ? ? ? ? ? 46 TYR A O 1 -ATOM 329 C CB . TYR A 1 46 ? 66.711 22.004 33.456 1.00 20.77 ? ? ? ? ? ? 46 TYR A CB 1 -ATOM 330 C CG . TYR A 1 46 ? 65.889 20.920 34.139 1.00 23.55 ? ? ? ? ? ? 46 TYR A CG 1 -ATOM 331 C CD1 . TYR A 1 46 ? 64.733 20.380 33.530 1.00 24.59 ? ? ? ? ? ? 46 TYR A CD1 1 -ATOM 332 C CD2 . TYR A 1 46 ? 66.231 20.479 35.430 1.00 23.89 ? ? ? ? ? ? 46 TYR A CD2 1 -ATOM 333 C CE1 . TYR A 1 46 ? 63.930 19.423 34.199 1.00 25.08 ? ? ? ? ? ? 46 TYR A CE1 1 -ATOM 334 C CE2 . TYR A 1 46 ? 65.452 19.538 36.104 1.00 25.62 ? ? ? ? ? ? 46 TYR A CE2 1 -ATOM 335 C CZ . TYR A 1 46 ? 64.298 19.012 35.494 1.00 26.61 ? ? ? ? ? ? 46 TYR A CZ 1 -ATOM 336 O OH . TYR A 1 46 ? 63.523 18.110 36.207 1.00 24.75 ? ? ? ? ? ? 46 TYR A OH 1 -ATOM 337 N N . TYR A 1 47 ? 66.878 22.335 30.410 1.00 18.17 ? ? ? ? ? ? 47 TYR A N 1 -ATOM 338 C CA . TYR A 1 47 ? 66.198 22.243 29.122 1.00 17.80 ? ? ? ? ? ? 47 TYR A CA 1 -ATOM 339 C C . TYR A 1 47 ? 67.057 22.414 27.863 1.00 19.12 ? ? ? ? ? ? 47 TYR A C 1 -ATOM 340 O O . TYR A 1 47 ? 66.672 21.965 26.775 1.00 21.30 ? ? ? ? ? ? 47 TYR A O 1 -ATOM 341 C CB . TYR A 1 47 ? 65.084 23.292 29.071 1.00 16.49 ? ? ? ? ? ? 47 TYR A CB 1 -ATOM 342 C CG . TYR A 1 47 ? 63.902 23.024 29.970 1.00 15.44 ? ? ? ? ? ? 47 TYR A CG 1 -ATOM 343 C CD1 . TYR A 1 47 ? 63.071 21.940 29.735 1.00 14.23 ? ? ? ? ? ? 47 TYR A CD1 1 -ATOM 344 C CD2 . TYR A 1 47 ? 63.579 23.882 31.021 1.00 15.04 ? ? ? ? ? ? 47 TYR A CD2 1 -ATOM 345 C CE1 . TYR A 1 47 ? 61.955 21.708 30.496 1.00 12.46 ? ? ? ? ? ? 47 TYR A CE1 1 -ATOM 346 C CE2 . TYR A 1 47 ? 62.449 23.651 31.797 1.00 14.57 ? ? ? ? ? ? 47 TYR A CE2 1 -ATOM 347 C CZ . TYR A 1 47 ? 61.641 22.555 31.517 1.00 13.18 ? ? ? ? ? ? 47 TYR A CZ 1 -ATOM 348 O OH . TYR A 1 47 ? 60.493 22.301 32.227 1.00 13.02 ? ? ? ? ? ? 47 TYR A OH 1 -ATOM 349 N N . GLY A 1 48 ? 68.201 23.067 27.986 1.00 18.07 ? ? ? ? ? ? 48 GLY A N 1 -ATOM 350 C CA . GLY A 1 48 ? 69.019 23.300 26.814 1.00 18.70 ? ? ? ? ? ? 48 GLY A CA 1 -ATOM 351 C C . GLY A 1 48 ? 69.928 22.223 26.245 1.00 19.78 ? ? ? ? ? ? 48 GLY A C 1 -ATOM 352 O O . GLY A 1 48 ? 71.067 22.543 25.937 1.00 21.42 ? ? ? ? ? ? 48 GLY A O 1 -ATOM 353 N N . TRP A 1 49 ? 69.464 20.983 26.057 1.00 20.09 ? ? ? ? ? ? 49 TRP A N 1 -ATOM 354 C CA . TRP A 1 49 ? 70.319 19.910 25.489 1.00 17.78 ? ? ? ? ? ? 49 TRP A CA 1 -ATOM 355 C C . TRP A 1 49 ? 69.773 19.249 24.222 1.00 17.20 ? ? ? ? ? ? 49 TRP A C 1 -ATOM 356 O O . TRP A 1 49 ? 70.481 18.508 23.536 1.00 15.05 ? ? ? ? ? ? 49 TRP A O 1 -ATOM 357 C CB . TRP A 1 49 ? 70.591 18.811 26.517 1.00 16.15 ? ? ? ? ? ? 49 TRP A CB 1 -ATOM 358 C CG . TRP A 1 49 ? 69.350 18.222 27.114 1.00 16.64 ? ? ? ? ? ? 49 TRP A CG 1 -ATOM 359 C CD1 . TRP A 1 49 ? 68.805 18.548 28.311 1.00 16.31 ? ? ? ? ? ? 49 TRP A CD1 1 -ATOM 360 C CD2 . TRP A 1 49 ? 68.462 17.257 26.520 1.00 15.36 ? ? ? ? ? ? 49 TRP A CD2 1 -ATOM 361 N NE1 . TRP A 1 49 ? 67.631 17.874 28.499 1.00 16.38 ? ? ? ? ? ? 49 TRP A NE1 1 -ATOM 362 C CE2 . TRP A 1 49 ? 67.394 17.069 27.419 1.00 14.49 ? ? ? ? ? ? 49 TRP A CE2 1 -ATOM 363 C CE3 . TRP A 1 49 ? 68.465 16.543 25.312 1.00 15.74 ? ? ? ? ? ? 49 TRP A CE3 1 -ATOM 364 C CZ2 . TRP A 1 49 ? 66.331 16.201 27.158 1.00 13.13 ? ? ? ? ? ? 49 TRP A CZ2 1 -ATOM 365 C CZ3 . TRP A 1 49 ? 67.408 15.680 25.040 1.00 15.65 ? ? ? ? ? ? 49 TRP A CZ3 1 -ATOM 366 C CH2 . TRP A 1 49 ? 66.349 15.517 25.968 1.00 15.62 ? ? ? ? ? ? 49 TRP A CH2 1 -ATOM 367 N N . ASP A 1 50 ? 68.519 19.502 23.888 1.00 18.13 ? ? ? ? ? ? 50 ASP A N 1 -ATOM 368 C CA . ASP A 1 50 ? 67.986 18.842 22.710 1.00 19.49 ? ? ? ? ? ? 50 ASP A CA 1 -ATOM 369 C C . ASP A 1 50 ? 68.447 19.433 21.384 1.00 19.59 ? ? ? ? ? ? 50 ASP A C 1 -ATOM 370 O O . ASP A 1 50 ? 67.909 19.083 20.345 1.00 20.99 ? ? ? ? ? ? 50 ASP A O 1 -ATOM 371 C CB . ASP A 1 50 ? 66.460 18.695 22.791 1.00 19.41 ? ? ? ? ? ? 50 ASP A CB 1 -ATOM 372 C CG . ASP A 1 50 ? 65.748 20.002 22.679 1.00 21.12 ? ? ? ? ? ? 50 ASP A CG 1 -ATOM 373 O OD1 . ASP A 1 50 ? 66.222 20.950 23.333 1.00 23.69 ? ? ? ? ? ? 50 ASP A OD1 1 -ATOM 374 O OD2 . ASP A 1 50 ? 64.721 20.090 21.946 1.00 22.79 ? ? ? ? ? ? 50 ASP A OD2 1 -ATOM 375 N N . PHE A 1 51 ? 69.466 20.300 21.418 1.00 19.87 ? ? ? ? ? ? 51 PHE A N 1 -ATOM 376 C CA . PHE A 1 51 ? 70.019 20.919 20.191 1.00 17.00 ? ? ? ? ? ? 51 PHE A CA 1 -ATOM 377 C C . PHE A 1 51 ? 70.992 19.939 19.524 1.00 16.51 ? ? ? ? ? ? 51 PHE A C 1 -ATOM 378 O O . PHE A 1 51 ? 71.439 20.169 18.413 1.00 14.74 ? ? ? ? ? ? 51 PHE A O 1 -ATOM 379 C CB . PHE A 1 51 ? 70.765 22.213 20.522 1.00 14.82 ? ? ? ? ? ? 51 PHE A CB 1 -ATOM 380 C CG . PHE A 1 51 ? 71.947 22.004 21.419 1.00 12.30 ? ? ? ? ? ? 51 PHE A CG 1 -ATOM 381 C CD1 . PHE A 1 51 ? 73.153 21.529 20.903 1.00 12.17 ? ? ? ? ? ? 51 PHE A CD1 1 -ATOM 382 C CD2 . PHE A 1 51 ? 71.830 22.193 22.786 1.00 11.26 ? ? ? ? ? ? 51 PHE A CD2 1 -ATOM 383 C CE1 . PHE A 1 51 ? 74.212 21.235 21.720 1.00 10.43 ? ? ? ? ? ? 51 PHE A CE1 1 -ATOM 384 C CE2 . PHE A 1 51 ? 72.889 21.900 23.626 1.00 12.56 ? ? ? ? ? ? 51 PHE A CE2 1 -ATOM 385 C CZ . PHE A 1 51 ? 74.084 21.415 23.089 1.00 12.89 ? ? ? ? ? ? 51 PHE A CZ 1 -ATOM 386 N N . ILE A 1 52 ? 71.397 18.912 20.269 1.00 17.09 ? ? ? ? ? ? 52 ILE A N 1 -ATOM 387 C CA . ILE A 1 52 ? 72.295 17.874 19.757 1.00 18.28 ? ? ? ? ? ? 52 ILE A CA 1 -ATOM 388 C C . ILE A 1 52 ? 71.536 17.090 18.694 1.00 18.18 ? ? ? ? ? ? 52 ILE A C 1 -ATOM 389 O O . ILE A 1 52 ? 72.127 16.622 17.719 1.00 18.15 ? ? ? ? ? ? 52 ILE A O 1 -ATOM 390 C CB . ILE A 1 52 ? 72.701 16.841 20.872 1.00 18.25 ? ? ? ? ? ? 52 ILE A CB 1 -ATOM 391 C CG1 . ILE A 1 52 ? 73.443 17.525 22.007 1.00 18.27 ? ? ? ? ? ? 52 ILE A CG1 1 -ATOM 392 C CG2 . ILE A 1 52 ? 73.607 15.765 20.314 1.00 18.30 ? ? ? ? ? ? 52 ILE A CG2 1 -ATOM 393 C CD1 . ILE A 1 52 ? 73.808 16.582 23.095 1.00 17.03 ? ? ? ? ? ? 52 ILE A CD1 1 -ATOM 394 N N . ASN A 1 53 ? 70.219 16.993 18.880 1.00 17.97 ? ? ? ? ? ? 53 ASN A N 1 -ATOM 395 C CA . ASN A 1 53 ? 69.355 16.241 17.974 1.00 18.57 ? ? ? ? ? ? 53 ASN A CA 1 -ATOM 396 C C . ASN A 1 53 ? 68.846 16.883 16.676 1.00 17.29 ? ? ? ? ? ? 53 ASN A C 1 -ATOM 397 O O . ASN A 1 53 ? 67.931 16.360 16.035 1.00 16.67 ? ? ? ? ? ? 53 ASN A O 1 -ATOM 398 C CB . ASN A 1 53 ? 68.228 15.588 18.764 1.00 20.13 ? ? ? ? ? ? 53 ASN A CB 1 -ATOM 399 C CG . ASN A 1 53 ? 68.745 14.524 19.702 1.00 22.32 ? ? ? ? ? ? 53 ASN A CG 1 -ATOM 400 O OD1 . ASN A 1 53 ? 69.364 13.549 19.263 1.00 24.72 ? ? ? ? ? ? 53 ASN A OD1 1 -ATOM 401 N ND2 . ASN A 1 53 ? 68.540 14.717 21.003 1.00 23.82 ? ? ? ? ? ? 53 ASN A ND2 1 -ATOM 402 N N . ASP A 1 54 ? 69.421 18.022 16.310 1.00 16.20 ? ? ? ? ? ? 54 ASP A N 1 -ATOM 403 C CA . ASP A 1 54 ? 69.095 18.691 15.056 1.00 16.01 ? ? ? ? ? ? 54 ASP A CA 1 -ATOM 404 C C . ASP A 1 54 ? 67.616 19.047 14.920 1.00 16.17 ? ? ? ? ? ? 54 ASP A C 1 -ATOM 405 O O . ASP A 1 54 ? 66.955 18.718 13.929 1.00 16.01 ? ? ? ? ? ? 54 ASP A O 1 -ATOM 406 C CB . ASP A 1 54 ? 69.574 17.809 13.884 1.00 16.63 ? ? ? ? ? ? 54 ASP A CB 1 -ATOM 407 C CG . ASP A 1 54 ? 69.627 18.545 12.548 1.00 17.90 ? ? ? ? ? ? 54 ASP A CG 1 -ATOM 408 O OD1 . ASP A 1 54 ? 69.579 19.789 12.539 1.00 20.97 ? ? ? ? ? ? 54 ASP A OD1 1 -ATOM 409 O OD2 . ASP A 1 54 ? 69.725 17.865 11.500 1.00 16.12 ? ? ? ? ? ? 54 ASP A OD2 1 -ATOM 410 N N . THR A 1 55 ? 67.101 19.763 15.906 1.00 15.16 ? ? ? ? ? ? 55 THR A N 1 -ATOM 411 C CA . THR A 1 55 ? 65.710 20.183 15.862 1.00 13.19 ? ? ? ? ? ? 55 THR A CA 1 -ATOM 412 C C . THR A 1 55 ? 65.426 21.000 14.592 1.00 13.97 ? ? ? ? ? ? 55 THR A C 1 -ATOM 413 O O . THR A 1 55 ? 64.381 20.851 13.958 1.00 15.32 ? ? ? ? ? ? 55 THR A O 1 -ATOM 414 C CB . THR A 1 55 ? 65.375 21.027 17.074 1.00 10.58 ? ? ? ? ? ? 55 THR A CB 1 -ATOM 415 O OG1 . THR A 1 55 ? 65.915 22.339 16.890 1.00 10.48 ? ? ? ? ? ? 55 THR A OG1 1 -ATOM 416 C CG2 . THR A 1 55 ? 65.976 20.393 18.324 1.00 7.29 ? ? ? ? ? ? 55 THR A CG2 1 -ATOM 417 N N . GLN A 1 56 ? 66.371 21.860 14.226 1.00 14.03 ? ? ? ? ? ? 56 GLN A N 1 -ATOM 418 C CA . GLN A 1 56 ? 66.249 22.710 13.048 1.00 14.53 ? ? ? ? ? ? 56 GLN A CA 1 -ATOM 419 C C . GLN A 1 56 ? 65.264 23.847 13.289 1.00 15.09 ? ? ? ? ? ? 56 GLN A C 1 -ATOM 420 O O . GLN A 1 56 ? 64.812 24.523 12.353 1.00 15.71 ? ? ? ? ? ? 56 GLN A O 1 -ATOM 421 C CB . GLN A 1 56 ? 65.845 21.894 11.823 1.00 14.93 ? ? ? ? ? ? 56 GLN A CB 1 -ATOM 422 C CG . GLN A 1 56 ? 66.844 20.803 11.493 1.00 17.31 ? ? ? ? ? ? 56 GLN A CG 1 -ATOM 423 C CD . GLN A 1 56 ? 66.837 20.397 10.040 1.00 18.10 ? ? ? ? ? ? 56 GLN A CD 1 -ATOM 424 O OE1 . GLN A 1 56 ? 66.170 21.004 9.207 1.00 19.26 ? ? ? ? ? ? 56 GLN A OE1 1 -ATOM 425 N NE2 . GLN A 1 56 ? 67.614 19.382 9.720 1.00 19.36 ? ? ? ? ? ? 56 GLN A NE2 1 -ATOM 426 N N . ILE A 1 57 ? 64.983 24.090 14.564 1.00 13.62 ? ? ? ? ? ? 57 ILE A N 1 -ATOM 427 C CA . ILE A 1 57 ? 64.075 25.138 14.960 1.00 12.14 ? ? ? ? ? ? 57 ILE A CA 1 -ATOM 428 C C . ILE A 1 57 ? 64.621 26.441 14.446 1.00 13.23 ? ? ? ? ? ? 57 ILE A C 1 -ATOM 429 O O . ILE A 1 57 ? 63.899 27.155 13.758 1.00 14.08 ? ? ? ? ? ? 57 ILE A O 1 -ATOM 430 C CB . ILE A 1 57 ? 63.915 25.177 16.490 1.00 12.75 ? ? ? ? ? ? 57 ILE A CB 1 -ATOM 431 C CG1 . ILE A 1 57 ? 63.059 23.983 16.967 1.00 12.62 ? ? ? ? ? ? 57 ILE A CG1 1 -ATOM 432 C CG2 . ILE A 1 57 ? 63.323 26.484 16.924 1.00 11.13 ? ? ? ? ? ? 57 ILE A CG2 1 -ATOM 433 C CD1 . ILE A 1 57 ? 62.983 23.817 18.481 1.00 12.45 ? ? ? ? ? ? 57 ILE A CD1 1 -ATOM 434 N N . LEU A 1 58 ? 65.918 26.680 14.706 1.00 14.04 ? ? ? ? ? ? 58 LEU A N 1 -ATOM 435 C CA . LEU A 1 58 ? 66.657 27.896 14.310 1.00 12.42 ? ? ? ? ? ? 58 LEU A CA 1 -ATOM 436 C C . LEU A 1 58 ? 67.629 27.654 13.158 1.00 13.97 ? ? ? ? ? ? 58 LEU A C 1 -ATOM 437 O O . LEU A 1 58 ? 67.676 28.437 12.203 1.00 14.80 ? ? ? ? ? ? 58 LEU A O 1 -ATOM 438 C CB . LEU A 1 58 ? 67.449 28.454 15.502 1.00 11.00 ? ? ? ? ? ? 58 LEU A CB 1 -ATOM 439 C CG . LEU A 1 58 ? 68.055 29.862 15.383 1.00 10.24 ? ? ? ? ? ? 58 LEU A CG 1 -ATOM 440 C CD1 . LEU A 1 58 ? 66.942 30.900 15.433 1.00 9.88 ? ? ? ? ? ? 58 LEU A CD1 1 -ATOM 441 C CD2 . LEU A 1 58 ? 69.077 30.149 16.473 1.00 7.24 ? ? ? ? ? ? 58 LEU A CD2 1 -ATOM 442 N N . THR A 1 59 ? 68.489 26.642 13.291 1.00 16.15 ? ? ? ? ? ? 59 THR A N 1 -ATOM 443 C CA . THR A 1 59 ? 69.459 26.309 12.232 1.00 15.87 ? ? ? ? ? ? 59 THR A CA 1 -ATOM 444 C C . THR A 1 59 ? 69.738 24.845 12.186 1.00 16.90 ? ? ? ? ? ? 59 THR A C 1 -ATOM 445 O O . THR A 1 59 ? 69.868 24.199 13.230 1.00 18.25 ? ? ? ? ? ? 59 THR A O 1 -ATOM 446 C CB . THR A 1 59 ? 70.858 26.880 12.420 1.00 15.28 ? ? ? ? ? ? 59 THR A CB 1 -ATOM 447 O OG1 . THR A 1 59 ? 70.874 27.896 13.420 1.00 17.97 ? ? ? ? ? ? 59 THR A OG1 1 -ATOM 448 C CG2 . THR A 1 59 ? 71.336 27.427 11.114 1.00 15.90 ? ? ? ? ? ? 59 THR A CG2 1 -ATOM 449 N N . PRO A 1 60 ? 69.862 24.289 10.976 1.00 17.19 ? ? ? ? ? ? 60 PRO A N 1 -ATOM 450 C CA . PRO A 1 60 ? 70.143 22.865 10.944 1.00 17.46 ? ? ? ? ? ? 60 PRO A CA 1 -ATOM 451 C C . PRO A 1 60 ? 71.592 22.680 11.308 1.00 16.89 ? ? ? ? ? ? 60 PRO A C 1 -ATOM 452 O O . PRO A 1 60 ? 72.431 23.522 11.005 1.00 16.81 ? ? ? ? ? ? 60 PRO A O 1 -ATOM 453 C CB . PRO A 1 60 ? 69.863 22.497 9.485 1.00 17.82 ? ? ? ? ? ? 60 PRO A CB 1 -ATOM 454 C CG . PRO A 1 60 ? 70.180 23.711 8.772 1.00 17.11 ? ? ? ? ? ? 60 PRO A CG 1 -ATOM 455 C CD . PRO A 1 60 ? 69.583 24.787 9.621 1.00 17.57 ? ? ? ? ? ? 60 PRO A CD 1 -ATOM 456 N N . ARG A 1 61 ? 71.846 21.605 12.034 1.00 16.81 ? ? ? ? ? ? 61 ARG A N 1 -ATOM 457 C CA . ARG A 1 61 ? 73.174 21.227 12.467 1.00 15.23 ? ? ? ? ? ? 61 ARG A CA 1 -ATOM 458 C C . ARG A 1 61 ? 74.045 20.903 11.233 1.00 15.05 ? ? ? ? ? ? 61 ARG A C 1 -ATOM 459 O O . ARG A 1 61 ? 73.542 20.448 10.207 1.00 13.96 ? ? ? ? ? ? 61 ARG A O 1 -ATOM 460 C CB . ARG A 1 61 ? 73.048 19.990 13.357 1.00 12.40 ? ? ? ? ? ? 61 ARG A CB 1 -ATOM 461 C CG . ARG A 1 61 ? 74.260 19.742 14.169 1.00 13.33 ? ? ? ? ? ? 61 ARG A CG 1 -ATOM 462 C CD . ARG A 1 61 ? 74.123 20.188 15.596 1.00 11.55 ? ? ? ? ? ? 61 ARG A CD 1 -ATOM 463 N NE . ARG A 1 61 ? 74.047 19.010 16.434 1.00 11.52 ? ? ? ? ? ? 61 ARG A NE 1 -ATOM 464 C CZ . ARG A 1 61 ? 75.065 18.178 16.625 1.00 14.52 ? ? ? ? ? ? 61 ARG A CZ 1 -ATOM 465 N NH1 . ARG A 1 61 ? 76.246 18.404 16.056 1.00 15.03 ? ? ? ? ? ? 61 ARG A NH1 1 -ATOM 466 N NH2 . ARG A 1 61 ? 74.881 17.060 17.313 1.00 16.68 ? ? ? ? ? ? 61 ARG A NH2 1 -ATOM 467 N N . LEU A 1 62 ? 75.343 21.176 11.336 1.00 16.10 ? ? ? ? ? ? 62 LEU A N 1 -ATOM 468 C CA . LEU A 1 62 ? 76.300 20.897 10.261 1.00 16.97 ? ? ? ? ? ? 62 LEU A CA 1 -ATOM 469 C C . LEU A 1 62 ? 76.535 19.367 10.080 1.00 18.19 ? ? ? ? ? ? 62 LEU A C 1 -ATOM 470 O O . LEU A 1 62 ? 77.043 18.682 10.986 1.00 17.35 ? ? ? ? ? ? 62 LEU A O 1 -ATOM 471 C CB . LEU A 1 62 ? 77.615 21.637 10.543 1.00 15.13 ? ? ? ? ? ? 62 LEU A CB 1 -ATOM 472 C CG . LEU A 1 62 ? 77.479 23.155 10.388 1.00 14.09 ? ? ? ? ? ? 62 LEU A CG 1 -ATOM 473 C CD1 . LEU A 1 62 ? 78.702 23.897 10.904 1.00 11.94 ? ? ? ? ? ? 62 LEU A CD1 1 -ATOM 474 C CD2 . LEU A 1 62 ? 77.228 23.461 8.924 1.00 13.82 ? ? ? ? ? ? 62 LEU A CD2 1 -ATOM 475 N N . LYS A 1 63 ? 76.151 18.864 8.901 1.00 18.91 ? ? ? ? ? ? 63 LYS A N 1 -ATOM 476 C CA . LYS A 1 63 ? 76.240 17.452 8.536 1.00 19.56 ? ? ? ? ? ? 63 LYS A CA 1 -ATOM 477 C C . LYS A 1 63 ? 77.392 17.089 7.599 1.00 21.08 ? ? ? ? ? ? 63 LYS A C 1 -ATOM 478 O O . LYS A 1 63 ? 77.954 15.993 7.718 1.00 22.90 ? ? ? ? ? ? 63 LYS A O 1 -ATOM 479 C CB . LYS A 1 63 ? 74.927 16.990 7.899 1.00 20.19 ? ? ? ? ? ? 63 LYS A CB 1 -ATOM 480 C CG . LYS A 1 63 ? 73.662 17.219 8.748 1.00 22.71 ? ? ? ? ? ? 63 LYS A CG 1 -ATOM 481 C CD . LYS A 1 63 ? 72.380 17.171 7.878 1.00 22.48 ? ? ? ? ? ? 63 LYS A CD 1 -ATOM 482 C CE . LYS A 1 63 ? 71.079 17.480 8.672 1.00 22.09 ? ? ? ? ? ? 63 LYS A CE 1 -ATOM 483 N NZ . LYS A 1 63 ? 70.941 18.884 9.210 1.00 20.81 ? ? ? ? ? ? 63 LYS A NZ 1 -ATOM 484 N N . THR A 1 64 ? 77.720 17.941 6.627 1.00 20.75 ? ? ? ? ? ? 64 THR A N 1 -ATOM 485 C CA . THR A 1 64 ? 78.823 17.604 5.726 1.00 20.62 ? ? ? ? ? ? 64 THR A CA 1 -ATOM 486 C C . THR A 1 64 ? 79.801 18.734 5.595 1.00 22.06 ? ? ? ? ? ? 64 THR A C 1 -ATOM 487 O O . THR A 1 64 ? 79.440 19.887 5.821 1.00 23.52 ? ? ? ? ? ? 64 THR A O 1 -ATOM 488 C CB . THR A 1 64 ? 78.377 17.275 4.279 1.00 19.80 ? ? ? ? ? ? 64 THR A CB 1 -ATOM 489 O OG1 . THR A 1 64 ? 78.248 18.479 3.515 1.00 17.35 ? ? ? ? ? ? 64 THR A OG1 1 -ATOM 490 C CG2 . THR A 1 64 ? 77.072 16.516 4.263 1.00 22.36 ? ? ? ? ? ? 64 THR A CG2 1 -ATOM 491 N N . PRO A 1 65 ? 81.069 18.421 5.251 1.00 22.50 ? ? ? ? ? ? 65 PRO A N 1 -ATOM 492 C CA . PRO A 1 65 ? 82.057 19.484 5.093 1.00 21.75 ? ? ? ? ? ? 65 PRO A CA 1 -ATOM 493 C C . PRO A 1 65 ? 81.612 20.167 3.805 1.00 20.83 ? ? ? ? ? ? 65 PRO A C 1 -ATOM 494 O O . PRO A 1 65 ? 80.933 19.538 2.994 1.00 20.60 ? ? ? ? ? ? 65 PRO A O 1 -ATOM 495 C CB . PRO A 1 65 ? 83.360 18.707 4.884 1.00 21.76 ? ? ? ? ? ? 65 PRO A CB 1 -ATOM 496 C CG . PRO A 1 65 ? 83.103 17.387 5.513 1.00 22.79 ? ? ? ? ? ? 65 PRO A CG 1 -ATOM 497 C CD . PRO A 1 65 ? 81.705 17.107 5.060 1.00 22.19 ? ? ? ? ? ? 65 PRO A CD 1 -ATOM 498 N N . MET A 1 66 ? 81.924 21.447 3.637 1.00 19.77 ? ? ? ? ? ? 66 MET A N 1 -ATOM 499 C CA . MET A 1 66 ? 81.518 22.157 2.436 1.00 18.47 ? ? ? ? ? ? 66 MET A CA 1 -ATOM 500 C C . MET A 1 66 ? 82.615 23.081 1.954 1.00 19.94 ? ? ? ? ? ? 66 MET A C 1 -ATOM 501 O O . MET A 1 66 ? 83.499 23.462 2.726 1.00 20.32 ? ? ? ? ? ? 66 MET A O 1 -ATOM 502 C CB . MET A 1 66 ? 80.262 22.969 2.699 1.00 15.21 ? ? ? ? ? ? 66 MET A CB 1 -ATOM 503 C CG . MET A 1 66 ? 79.123 22.170 3.225 1.00 13.32 ? ? ? ? ? ? 66 MET A CG 1 -ATOM 504 S SD . MET A 1 66 ? 77.601 23.105 3.193 1.00 17.14 ? ? ? ? ? ? 66 MET A SD 1 -ATOM 505 C CE . MET A 1 66 ? 77.046 22.813 4.861 1.00 17.19 ? ? ? ? ? ? 66 MET A CE 1 -ATOM 506 N N . ILE A 1 67 ? 82.566 23.426 0.674 1.00 20.92 ? ? ? ? ? ? 67 ILE A N 1 -ATOM 507 C CA . ILE A 1 67 ? 83.542 24.325 0.075 1.00 22.75 ? ? ? ? ? ? 67 ILE A CA 1 -ATOM 508 C C . ILE A 1 67 ? 82.807 25.263 -0.880 1.00 24.98 ? ? ? ? ? ? 67 ILE A C 1 -ATOM 509 O O . ILE A 1 67 ? 81.846 24.858 -1.553 1.00 23.89 ? ? ? ? ? ? 67 ILE A O 1 -ATOM 510 C CB . ILE A 1 67 ? 84.665 23.528 -0.701 1.00 21.73 ? ? ? ? ? ? 67 ILE A CB 1 -ATOM 511 C CG1 . ILE A 1 67 ? 85.613 22.838 0.284 1.00 22.32 ? ? ? ? ? ? 67 ILE A CG1 1 -ATOM 512 C CG2 . ILE A 1 67 ? 85.466 24.444 -1.621 1.00 18.10 ? ? ? ? ? ? 67 ILE A CG2 1 -ATOM 513 C CD1 . ILE A 1 67 ? 86.623 21.897 -0.367 1.00 21.62 ? ? ? ? ? ? 67 ILE A CD1 1 -ATOM 514 N N . ARG A 1 68 ? 83.217 26.526 -0.896 1.00 27.72 ? ? ? ? ? ? 68 ARG A N 1 -ATOM 515 C CA . ARG A 1 68 ? 82.625 27.500 -1.800 1.00 31.69 ? ? ? ? ? ? 68 ARG A CA 1 -ATOM 516 C C . ARG A 1 68 ? 83.746 27.872 -2.772 1.00 35.16 ? ? ? ? ? ? 68 ARG A C 1 -ATOM 517 O O . ARG A 1 68 ? 84.558 28.753 -2.479 1.00 37.45 ? ? ? ? ? ? 68 ARG A O 1 -ATOM 518 C CB . ARG A 1 68 ? 82.155 28.739 -1.048 1.00 28.80 ? ? ? ? ? ? 68 ARG A CB 1 -ATOM 519 C CG . ARG A 1 68 ? 81.121 29.504 -1.854 1.00 29.04 ? ? ? ? ? ? 68 ARG A CG 1 -ATOM 520 C CD . ARG A 1 68 ? 80.937 30.941 -1.411 1.00 25.72 ? ? ? ? ? ? 68 ARG A CD 1 -ATOM 521 N NE . ARG A 1 68 ? 80.789 31.028 0.034 1.00 24.29 ? ? ? ? ? ? 68 ARG A NE 1 -ATOM 522 C CZ . ARG A 1 68 ? 79.643 30.872 0.681 1.00 23.19 ? ? ? ? ? ? 68 ARG A CZ 1 -ATOM 523 N NH1 . ARG A 1 68 ? 78.522 30.616 0.016 1.00 23.94 ? ? ? ? ? ? 68 ARG A NH1 1 -ATOM 524 N NH2 . ARG A 1 68 ? 79.619 31.008 1.994 1.00 22.30 ? ? ? ? ? ? 68 ARG A NH2 1 -ATOM 525 N N . ARG A 1 69 ? 83.814 27.180 -3.909 1.00 38.09 ? ? ? ? ? ? 69 ARG A N 1 -ATOM 526 C CA . ARG A 1 69 ? 84.871 27.416 -4.900 1.00 40.20 ? ? ? ? ? ? 69 ARG A CA 1 -ATOM 527 C C . ARG A 1 69 ? 84.841 28.747 -5.648 1.00 41.56 ? ? ? ? ? ? 69 ARG A C 1 -ATOM 528 O O . ARG A 1 69 ? 85.853 29.169 -6.211 1.00 42.49 ? ? ? ? ? ? 69 ARG A O 1 -ATOM 529 C CB . ARG A 1 69 ? 84.950 26.253 -5.894 1.00 40.89 ? ? ? ? ? ? 69 ARG A CB 1 -ATOM 530 C CG . ARG A 1 69 ? 85.540 24.979 -5.311 1.00 42.09 ? ? ? ? ? ? 69 ARG A CG 1 -ATOM 531 C CD . ARG A 1 69 ? 85.705 23.904 -6.381 1.00 43.51 ? ? ? ? ? ? 69 ARG A CD 1 -ATOM 532 N NE . ARG A 1 69 ? 86.248 22.653 -5.849 1.00 44.18 ? ? ? ? ? ? 69 ARG A NE 1 -ATOM 533 C CZ . ARG A 1 69 ? 87.502 22.491 -5.426 1.00 44.60 ? ? ? ? ? ? 69 ARG A CZ 1 -ATOM 534 N NH1 . ARG A 1 69 ? 88.367 23.495 -5.462 1.00 43.65 ? ? ? ? ? ? 69 ARG A NH1 1 -ATOM 535 N NH2 . ARG A 1 69 ? 87.898 21.308 -4.975 1.00 46.14 ? ? ? ? ? ? 69 ARG A NH2 1 -ATOM 536 N N . GLN A 1 70 ? 83.689 29.403 -5.673 1.00 42.99 ? ? ? ? ? ? 70 GLN A N 1 -ATOM 537 C CA . GLN A 1 70 ? 83.574 30.695 -6.344 1.00 44.57 ? ? ? ? ? ? 70 GLN A CA 1 -ATOM 538 C C . GLN A 1 70 ? 83.028 31.704 -5.330 1.00 45.42 ? ? ? ? ? ? 70 GLN A C 1 -ATOM 539 O O . GLN A 1 70 ? 82.015 31.451 -4.669 1.00 46.65 ? ? ? ? ? ? 70 GLN A O 1 -ATOM 540 C CB . GLN A 1 70 ? 82.617 30.589 -7.538 1.00 45.60 ? ? ? ? ? ? 70 GLN A CB 1 -ATOM 541 C CG . GLN A 1 70 ? 82.490 31.882 -8.350 1.00 47.50 ? ? ? ? ? ? 70 GLN A CG 1 -ATOM 542 C CD . GLN A 1 70 ? 81.197 31.957 -9.169 1.00 48.45 ? ? ? ? ? ? 70 GLN A CD 1 -ATOM 543 O OE1 . GLN A 1 70 ? 80.159 32.402 -8.670 1.00 48.64 ? ? ? ? ? ? 70 GLN A OE1 1 -ATOM 544 N NE2 . GLN A 1 70 ? 81.267 31.551 -10.435 1.00 48.14 ? ? ? ? ? ? 70 GLN A NE2 1 -ATOM 545 N N . ARG A 1 71 ? 83.679 32.850 -5.192 1.00 45.07 ? ? ? ? ? ? 71 ARG A N 1 -ATOM 546 C CA . ARG A 1 71 ? 83.200 33.853 -4.258 1.00 45.37 ? ? ? ? ? ? 71 ARG A CA 1 -ATOM 547 C C . ARG A 1 71 ? 81.762 34.269 -4.591 1.00 46.45 ? ? ? ? ? ? 71 ARG A C 1 -ATOM 548 O O . ARG A 1 71 ? 81.004 34.681 -3.708 1.00 46.99 ? ? ? ? ? ? 71 ARG A O 1 -ATOM 549 C CB . ARG A 1 71 ? 84.121 35.073 -4.236 1.00 44.92 ? ? ? ? ? ? 71 ARG A CB 1 -ATOM 550 C CG . ARG A 1 71 ? 85.343 34.921 -3.326 1.00 43.34 ? ? ? ? ? ? 71 ARG A CG 1 -ATOM 551 C CD . ARG A 1 71 ? 84.957 34.902 -1.857 1.00 40.33 ? ? ? ? ? ? 71 ARG A CD 1 -ATOM 552 N NE . ARG A 1 71 ? 86.095 34.625 -0.982 1.00 37.34 ? ? ? ? ? ? 71 ARG A NE 1 -ATOM 553 C CZ . ARG A 1 71 ? 86.272 35.187 0.209 1.00 35.90 ? ? ? ? ? ? 71 ARG A CZ 1 -ATOM 554 N NH1 . ARG A 1 71 ? 85.403 36.059 0.678 1.00 35.35 ? ? ? ? ? ? 71 ARG A NH1 1 -ATOM 555 N NH2 . ARG A 1 71 ? 87.294 34.832 0.957 1.00 36.16 ? ? ? ? ? ? 71 ARG A NH2 1 -ATOM 556 N N . GLY A 1 72 ? 81.393 34.134 -5.865 1.00 46.51 ? ? ? ? ? ? 72 GLY A N 1 -ATOM 557 C CA . GLY A 1 72 ? 80.050 34.482 -6.296 1.00 46.64 ? ? ? ? ? ? 72 GLY A CA 1 -ATOM 558 C C . GLY A 1 72 ? 78.978 33.734 -5.513 1.00 47.16 ? ? ? ? ? ? 72 GLY A C 1 -ATOM 559 O O . GLY A 1 72 ? 77.791 34.061 -5.593 1.00 47.54 ? ? ? ? ? ? 72 GLY A O 1 -ATOM 560 N N . GLY A 1 73 ? 79.397 32.681 -4.811 1.00 46.82 ? ? ? ? ? ? 73 GLY A N 1 -ATOM 561 C CA . GLY A 1 73 ? 78.456 31.932 -4.002 1.00 45.82 ? ? ? ? ? ? 73 GLY A CA 1 -ATOM 562 C C . GLY A 1 73 ? 78.377 30.452 -4.290 1.00 44.29 ? ? ? ? ? ? 73 GLY A C 1 -ATOM 563 O O . GLY A 1 73 ? 79.042 29.942 -5.201 1.00 43.88 ? ? ? ? ? ? 73 GLY A O 1 -ATOM 564 N N . LYS A 1 74 ? 77.534 29.793 -3.494 1.00 42.70 ? ? ? ? ? ? 74 LYS A N 1 -ATOM 565 C CA . LYS A 1 74 ? 77.253 28.359 -3.543 1.00 41.71 ? ? ? ? ? ? 74 LYS A CA 1 -ATOM 566 C C . LYS A 1 74 ? 78.214 27.501 -2.702 1.00 39.73 ? ? ? ? ? ? 74 LYS A C 1 -ATOM 567 O O . LYS A 1 74 ? 79.307 27.115 -3.124 1.00 39.36 ? ? ? ? ? ? 74 LYS A O 1 -ATOM 568 C CB . LYS A 1 74 ? 77.151 27.837 -4.983 1.00 43.62 ? ? ? ? ? ? 74 LYS A CB 1 -ATOM 569 C CG . LYS A 1 74 ? 76.457 26.483 -5.098 1.00 45.67 ? ? ? ? ? ? 74 LYS A CG 1 -ATOM 570 C CD . LYS A 1 74 ? 77.129 25.614 -6.149 1.00 48.76 ? ? ? ? ? ? 74 LYS A CD 1 -ATOM 571 C CE . LYS A 1 74 ? 77.071 26.242 -7.537 1.00 51.74 ? ? ? ? ? ? 74 LYS A CE 1 -ATOM 572 N NZ . LYS A 1 74 ? 75.669 26.336 -8.097 1.00 54.68 ? ? ? ? ? ? 74 LYS A NZ 1 -ATOM 573 N N . LEU A 1 75 ? 77.763 27.202 -1.494 1.00 37.19 ? ? ? ? ? ? 75 LEU A N 1 -ATOM 574 C CA . LEU A 1 75 ? 78.505 26.393 -0.548 1.00 34.77 ? ? ? ? ? ? 75 LEU A CA 1 -ATOM 575 C C . LEU A 1 75 ? 78.007 24.941 -0.730 1.00 32.88 ? ? ? ? ? ? 75 LEU A C 1 -ATOM 576 O O . LEU A 1 75 ? 77.001 24.546 -0.143 1.00 32.91 ? ? ? ? ? ? 75 LEU A O 1 -ATOM 577 C CB . LEU A 1 75 ? 78.206 26.950 0.858 1.00 34.46 ? ? ? ? ? ? 75 LEU A CB 1 -ATOM 578 C CG . LEU A 1 75 ? 79.023 26.798 2.149 1.00 33.18 ? ? ? ? ? ? 75 LEU A CG 1 -ATOM 579 C CD1 . LEU A 1 75 ? 80.511 26.800 1.896 1.00 32.11 ? ? ? ? ? ? 75 LEU A CD1 1 -ATOM 580 C CD2 . LEU A 1 75 ? 78.634 27.941 3.072 1.00 31.88 ? ? ? ? ? ? 75 LEU A CD2 1 -ATOM 581 N N . GLU A 1 76 ? 78.672 24.190 -1.612 1.00 31.56 ? ? ? ? ? ? 76 GLU A N 1 -ATOM 582 C CA . GLU A 1 76 ? 78.325 22.783 -1.910 1.00 29.62 ? ? ? ? ? ? 76 GLU A CA 1 -ATOM 583 C C . GLU A 1 76 ? 79.081 21.781 -1.059 1.00 25.97 ? ? ? ? ? ? 76 GLU A C 1 -ATOM 584 O O . GLU A 1 76 ? 80.261 21.949 -0.789 1.00 25.72 ? ? ? ? ? ? 76 GLU A O 1 -ATOM 585 C CB . GLU A 1 76 ? 78.594 22.436 -3.387 1.00 31.66 ? ? ? ? ? ? 76 GLU A CB 1 -ATOM 586 C CG . GLU A 1 76 ? 77.503 22.877 -4.378 1.00 35.77 ? ? ? ? ? ? 76 GLU A CG 1 -ATOM 587 C CD . GLU A 1 76 ? 76.223 22.013 -4.322 1.00 38.08 ? ? ? ? ? ? 76 GLU A CD 1 -ATOM 588 O OE1 . GLU A 1 76 ? 76.297 20.778 -4.557 1.00 39.47 ? ? ? ? ? ? 76 GLU A OE1 1 -ATOM 589 O OE2 . GLU A 1 76 ? 75.138 22.581 -4.069 1.00 37.96 ? ? ? ? ? ? 76 GLU A OE2 1 -ATOM 590 N N . PRO A 1 77 ? 78.404 20.717 -0.625 1.00 23.90 ? ? ? ? ? ? 77 PRO A N 1 -ATOM 591 C CA . PRO A 1 77 ? 78.998 19.664 0.200 1.00 21.70 ? ? ? ? ? ? 77 PRO A CA 1 -ATOM 592 C C . PRO A 1 77 ? 80.189 19.040 -0.484 1.00 20.84 ? ? ? ? ? ? 77 PRO A C 1 -ATOM 593 O O . PRO A 1 77 ? 80.256 18.956 -1.709 1.00 23.02 ? ? ? ? ? ? 77 PRO A O 1 -ATOM 594 C CB . PRO A 1 77 ? 77.863 18.676 0.366 1.00 20.67 ? ? ? ? ? ? 77 PRO A CB 1 -ATOM 595 C CG . PRO A 1 77 ? 76.982 18.954 -0.817 1.00 22.50 ? ? ? ? ? ? 77 PRO A CG 1 -ATOM 596 C CD . PRO A 1 77 ? 76.987 20.440 -0.867 1.00 22.85 ? ? ? ? ? ? 77 PRO A CD 1 -ATOM 597 N N . VAL A 1 78 ? 81.118 18.562 0.324 1.00 19.50 ? ? ? ? ? ? 78 VAL A N 1 -ATOM 598 C CA . VAL A 1 78 ? 82.345 17.990 -0.168 1.00 15.46 ? ? ? ? ? ? 78 VAL A CA 1 -ATOM 599 C C . VAL A 1 78 ? 82.812 17.020 0.898 1.00 14.34 ? ? ? ? ? ? 78 VAL A C 1 -ATOM 600 O O . VAL A 1 78 ? 82.499 17.198 2.069 1.00 13.52 ? ? ? ? ? ? 78 VAL A O 1 -ATOM 601 C CB . VAL A 1 78 ? 83.341 19.132 -0.369 1.00 14.58 ? ? ? ? ? ? 78 VAL A CB 1 -ATOM 602 C CG1 . VAL A 1 78 ? 84.689 18.796 0.187 1.00 15.54 ? ? ? ? ? ? 78 VAL A CG1 1 -ATOM 603 C CG2 . VAL A 1 78 ? 83.406 19.498 -1.822 1.00 14.16 ? ? ? ? ? ? 78 VAL A CG2 1 -ATOM 604 N N . SER A 1 79 ? 83.545 15.991 0.488 1.00 14.76 ? ? ? ? ? ? 79 SER A N 1 -ATOM 605 C CA . SER A 1 79 ? 84.052 14.977 1.410 1.00 14.58 ? ? ? ? ? ? 79 SER A CA 1 -ATOM 606 C C . SER A 1 79 ? 85.153 15.489 2.314 1.00 14.87 ? ? ? ? ? ? 79 SER A C 1 -ATOM 607 O O . SER A 1 79 ? 85.735 16.549 2.084 1.00 14.60 ? ? ? ? ? ? 79 SER A O 1 -ATOM 608 C CB . SER A 1 79 ? 84.604 13.799 0.626 1.00 15.79 ? ? ? ? ? ? 79 SER A CB 1 -ATOM 609 O OG . SER A 1 79 ? 85.740 14.196 -0.126 1.00 18.32 ? ? ? ? ? ? 79 SER A OG 1 -ATOM 610 N N . TRP A 1 80 ? 85.503 14.683 3.300 1.00 16.06 ? ? ? ? ? ? 80 TRP A N 1 -ATOM 611 C CA . TRP A 1 80 ? 86.557 15.074 4.204 1.00 18.76 ? ? ? ? ? ? 80 TRP A CA 1 -ATOM 612 C C . TRP A 1 80 ? 87.877 15.218 3.481 1.00 19.73 ? ? ? ? ? ? 80 TRP A C 1 -ATOM 613 O O . TRP A 1 80 ? 88.502 16.251 3.557 1.00 21.37 ? ? ? ? ? ? 80 TRP A O 1 -ATOM 614 C CB . TRP A 1 80 ? 86.661 14.113 5.387 1.00 20.74 ? ? ? ? ? ? 80 TRP A CB 1 -ATOM 615 C CG . TRP A 1 80 ? 85.664 14.438 6.482 1.00 21.38 ? ? ? ? ? ? 80 TRP A CG 1 -ATOM 616 C CD1 . TRP A 1 80 ? 84.535 13.736 6.818 1.00 21.60 ? ? ? ? ? ? 80 TRP A CD1 1 -ATOM 617 C CD2 . TRP A 1 80 ? 85.712 15.560 7.359 1.00 21.79 ? ? ? ? ? ? 80 TRP A CD2 1 -ATOM 618 N NE1 . TRP A 1 80 ? 83.883 14.357 7.849 1.00 20.97 ? ? ? ? ? ? 80 TRP A NE1 1 -ATOM 619 C CE2 . TRP A 1 80 ? 84.580 15.482 8.197 1.00 21.50 ? ? ? ? ? ? 80 TRP A CE2 1 -ATOM 620 C CE3 . TRP A 1 80 ? 86.605 16.631 7.514 1.00 21.80 ? ? ? ? ? ? 80 TRP A CE3 1 -ATOM 621 C CZ2 . TRP A 1 80 ? 84.319 16.424 9.176 1.00 22.89 ? ? ? ? ? ? 80 TRP A CZ2 1 -ATOM 622 C CZ3 . TRP A 1 80 ? 86.354 17.562 8.483 1.00 21.94 ? ? ? ? ? ? 80 TRP A CZ3 1 -ATOM 623 C CH2 . TRP A 1 80 ? 85.214 17.459 9.303 1.00 24.30 ? ? ? ? ? ? 80 TRP A CH2 1 -ATOM 624 N N . ASP A 1 81 ? 88.255 14.235 2.687 1.00 22.63 ? ? ? ? ? ? 81 ASP A N 1 -ATOM 625 C CA . ASP A 1 81 ? 89.519 14.321 1.963 1.00 22.85 ? ? ? ? ? ? 81 ASP A CA 1 -ATOM 626 C C . ASP A 1 81 ? 89.602 15.636 1.220 1.00 21.74 ? ? ? ? ? ? 81 ASP A C 1 -ATOM 627 O O . ASP A 1 81 ? 90.547 16.391 1.409 1.00 22.47 ? ? ? ? ? ? 81 ASP A O 1 -ATOM 628 C CB . ASP A 1 81 ? 89.658 13.172 0.958 1.00 25.76 ? ? ? ? ? ? 81 ASP A CB 1 -ATOM 629 C CG . ASP A 1 81 ? 91.100 12.942 0.531 1.00 29.56 ? ? ? ? ? ? 81 ASP A CG 1 -ATOM 630 O OD1 . ASP A 1 81 ? 91.808 12.218 1.267 1.00 32.61 ? ? ? ? ? ? 81 ASP A OD1 1 -ATOM 631 O OD2 . ASP A 1 81 ? 91.529 13.477 -0.524 1.00 30.31 ? ? ? ? ? ? 81 ASP A OD2 1 -ATOM 632 N N . GLU A 1 82 ? 88.577 15.943 0.432 1.00 21.59 ? ? ? ? ? ? 82 GLU A N 1 -ATOM 633 C CA . GLU A 1 82 ? 88.579 17.173 -0.363 1.00 21.82 ? ? ? ? ? ? 82 GLU A CA 1 -ATOM 634 C C . GLU A 1 82 ? 88.650 18.426 0.467 1.00 21.21 ? ? ? ? ? ? 82 GLU A C 1 -ATOM 635 O O . GLU A 1 82 ? 89.315 19.380 0.081 1.00 21.60 ? ? ? ? ? ? 82 GLU A O 1 -ATOM 636 C CB . GLU A 1 82 ? 87.366 17.264 -1.291 1.00 22.24 ? ? ? ? ? ? 82 GLU A CB 1 -ATOM 637 C CG . GLU A 1 82 ? 87.441 18.477 -2.237 1.00 23.05 ? ? ? ? ? ? 82 GLU A CG 1 -ATOM 638 C CD . GLU A 1 82 ? 86.240 18.605 -3.167 1.00 23.60 ? ? ? ? ? ? 82 GLU A CD 1 -ATOM 639 O OE1 . GLU A 1 82 ? 85.534 17.596 -3.380 1.00 24.18 ? ? ? ? ? ? 82 GLU A OE1 1 -ATOM 640 O OE2 . GLU A 1 82 ? 85.985 19.723 -3.672 1.00 23.61 ? ? ? ? ? ? 82 GLU A OE2 1 -ATOM 641 N N . ALA A 1 83 ? 87.948 18.439 1.594 1.00 20.69 ? ? ? ? ? ? 83 ALA A N 1 -ATOM 642 C CA . ALA A 1 83 ? 87.961 19.614 2.441 1.00 19.21 ? ? ? ? ? ? 83 ALA A CA 1 -ATOM 643 C C . ALA A 1 83 ? 89.315 19.705 3.124 1.00 17.99 ? ? ? ? ? ? 83 ALA A C 1 -ATOM 644 O O . ALA A 1 83 ? 90.028 20.701 2.994 1.00 19.56 ? ? ? ? ? ? 83 ALA A O 1 -ATOM 645 C CB . ALA A 1 83 ? 86.848 19.542 3.462 1.00 18.70 ? ? ? ? ? ? 83 ALA A CB 1 -ATOM 646 N N . LEU A 1 84 ? 89.717 18.618 3.758 1.00 15.43 ? ? ? ? ? ? 84 LEU A N 1 -ATOM 647 C CA . LEU A 1 84 ? 90.968 18.583 4.489 1.00 13.78 ? ? ? ? ? ? 84 LEU A CA 1 -ATOM 648 C C . LEU A 1 84 ? 92.237 18.847 3.677 1.00 14.38 ? ? ? ? ? ? 84 LEU A C 1 -ATOM 649 O O . LEU A 1 84 ? 93.192 19.409 4.200 1.00 15.12 ? ? ? ? ? ? 84 LEU A O 1 -ATOM 650 C CB . LEU A 1 84 ? 91.047 17.309 5.333 1.00 9.83 ? ? ? ? ? ? 84 LEU A CB 1 -ATOM 651 C CG . LEU A 1 84 ? 89.988 17.244 6.446 1.00 4.61 ? ? ? ? ? ? 84 LEU A CG 1 -ATOM 652 C CD1 . LEU A 1 84 ? 89.983 15.883 7.037 1.00 5.06 ? ? ? ? ? ? 84 LEU A CD1 1 -ATOM 653 C CD2 . LEU A 1 84 ? 90.214 18.279 7.513 1.00 2.73 ? ? ? ? ? ? 84 LEU A CD2 1 -ATOM 654 N N . ASN A 1 85 ? 92.245 18.467 2.406 1.00 16.28 ? ? ? ? ? ? 85 ASN A N 1 -ATOM 655 C CA . ASN A 1 85 ? 93.399 18.720 1.534 1.00 17.63 ? ? ? ? ? ? 85 ASN A CA 1 -ATOM 656 C C . ASN A 1 85 ? 93.325 20.179 1.067 1.00 16.61 ? ? ? ? ? ? 85 ASN A C 1 -ATOM 657 O O . ASN A 1 85 ? 94.336 20.848 0.867 1.00 15.41 ? ? ? ? ? ? 85 ASN A O 1 -ATOM 658 C CB . ASN A 1 85 ? 93.388 17.764 0.315 1.00 19.08 ? ? ? ? ? ? 85 ASN A CB 1 -ATOM 659 C CG . ASN A 1 85 ? 94.328 18.217 -0.820 1.00 20.67 ? ? ? ? ? ? 85 ASN A CG 1 -ATOM 660 O OD1 . ASN A 1 85 ? 93.888 18.627 -1.891 1.00 22.11 ? ? ? ? ? ? 85 ASN A OD1 1 -ATOM 661 N ND2 . ASN A 1 85 ? 95.616 18.139 -0.581 1.00 24.67 ? ? ? ? ? ? 85 ASN A ND2 1 -ATOM 662 N N . TYR A 1 86 ? 92.106 20.669 0.912 1.00 17.71 ? ? ? ? ? ? 86 TYR A N 1 -ATOM 663 C CA . TYR A 1 86 ? 91.894 22.035 0.452 1.00 18.55 ? ? ? ? ? ? 86 TYR A CA 1 -ATOM 664 C C . TYR A 1 86 ? 92.435 23.007 1.481 1.00 18.11 ? ? ? ? ? ? 86 TYR A C 1 -ATOM 665 O O . TYR A 1 86 ? 93.127 23.948 1.138 1.00 17.76 ? ? ? ? ? ? 86 TYR A O 1 -ATOM 666 C CB . TYR A 1 86 ? 90.419 22.289 0.195 1.00 17.87 ? ? ? ? ? ? 86 TYR A CB 1 -ATOM 667 C CG . TYR A 1 86 ? 90.183 23.550 -0.562 1.00 20.13 ? ? ? ? ? ? 86 TYR A CG 1 -ATOM 668 C CD1 . TYR A 1 86 ? 90.116 24.767 0.096 1.00 22.86 ? ? ? ? ? ? 86 TYR A CD1 1 -ATOM 669 C CD2 . TYR A 1 86 ? 90.007 23.532 -1.937 1.00 20.54 ? ? ? ? ? ? 86 TYR A CD2 1 -ATOM 670 C CE1 . TYR A 1 86 ? 89.882 25.938 -0.597 1.00 24.63 ? ? ? ? ? ? 86 TYR A CE1 1 -ATOM 671 C CE2 . TYR A 1 86 ? 89.765 24.688 -2.636 1.00 21.49 ? ? ? ? ? ? 86 TYR A CE2 1 -ATOM 672 C CZ . TYR A 1 86 ? 89.707 25.892 -1.963 1.00 24.11 ? ? ? ? ? ? 86 TYR A CZ 1 -ATOM 673 O OH . TYR A 1 86 ? 89.501 27.065 -2.644 1.00 26.09 ? ? ? ? ? ? 86 TYR A OH 1 -ATOM 674 N N . VAL A 1 87 ? 92.085 22.785 2.742 1.00 18.10 ? ? ? ? ? ? 87 VAL A N 1 -ATOM 675 C CA . VAL A 1 87 ? 92.589 23.609 3.828 1.00 16.46 ? ? ? ? ? ? 87 VAL A CA 1 -ATOM 676 C C . VAL A 1 87 ? 94.115 23.434 3.919 1.00 16.21 ? ? ? ? ? ? 87 VAL A C 1 -ATOM 677 O O . VAL A 1 87 ? 94.859 24.392 3.778 1.00 16.88 ? ? ? ? ? ? 87 VAL A O 1 -ATOM 678 C CB . VAL A 1 87 ? 91.961 23.204 5.154 1.00 14.99 ? ? ? ? ? ? 87 VAL A CB 1 -ATOM 679 C CG1 . VAL A 1 87 ? 92.603 23.961 6.297 1.00 13.36 ? ? ? ? ? ? 87 VAL A CG1 1 -ATOM 680 C CG2 . VAL A 1 87 ? 90.453 23.426 5.095 1.00 14.49 ? ? ? ? ? ? 87 VAL A CG2 1 -ATOM 681 N N . ALA A 1 88 ? 94.579 22.203 4.074 1.00 15.68 ? ? ? ? ? ? 88 ALA A N 1 -ATOM 682 C CA . ALA A 1 88 ? 96.012 21.938 4.185 1.00 16.57 ? ? ? ? ? ? 88 ALA A CA 1 -ATOM 683 C C . ALA A 1 88 ? 96.837 22.575 3.067 1.00 17.07 ? ? ? ? ? ? 88 ALA A C 1 -ATOM 684 O O . ALA A 1 88 ? 97.895 23.151 3.313 1.00 15.86 ? ? ? ? ? ? 88 ALA A O 1 -ATOM 685 C CB . ALA A 1 88 ? 96.263 20.435 4.254 1.00 16.34 ? ? ? ? ? ? 88 ALA A CB 1 -ATOM 686 N N . GLU A 1 89 ? 96.306 22.496 1.850 1.00 19.78 ? ? ? ? ? ? 89 GLU A N 1 -ATOM 687 C CA . GLU A 1 89 ? 96.923 23.051 0.639 1.00 20.54 ? ? ? ? ? ? 89 GLU A CA 1 -ATOM 688 C C . GLU A 1 89 ? 96.941 24.585 0.746 1.00 18.80 ? ? ? ? ? ? 89 GLU A C 1 -ATOM 689 O O . GLU A 1 89 ? 97.998 25.196 0.727 1.00 16.66 ? ? ? ? ? ? 89 GLU A O 1 -ATOM 690 C CB . GLU A 1 89 ? 96.095 22.618 -0.597 1.00 23.73 ? ? ? ? ? ? 89 GLU A CB 1 -ATOM 691 C CG . GLU A 1 89 ? 96.878 22.389 -1.916 1.00 29.60 ? ? ? ? ? ? 89 GLU A CG 1 -ATOM 692 C CD . GLU A 1 89 ? 96.777 20.927 -2.410 1.00 33.52 ? ? ? ? ? ? 89 GLU A CD 1 -ATOM 693 O OE1 . GLU A 1 89 ? 95.745 20.583 -3.048 1.00 32.76 ? ? ? ? ? ? 89 GLU A OE1 1 -ATOM 694 O OE2 . GLU A 1 89 ? 97.720 20.126 -2.143 1.00 33.37 ? ? ? ? ? ? 89 GLU A OE2 1 -ATOM 695 N N . ARG A 1 90 ? 95.756 25.173 0.918 1.00 18.47 ? ? ? ? ? ? 90 ARG A N 1 -ATOM 696 C CA . ARG A 1 90 ? 95.569 26.607 1.022 1.00 17.75 ? ? ? ? ? ? 90 ARG A CA 1 -ATOM 697 C C . ARG A 1 90 ? 96.420 27.258 2.084 1.00 18.04 ? ? ? ? ? ? 90 ARG A C 1 -ATOM 698 O O . ARG A 1 90 ? 97.078 28.267 1.807 1.00 18.89 ? ? ? ? ? ? 90 ARG A O 1 -ATOM 699 C CB . ARG A 1 90 ? 94.109 26.943 1.292 1.00 19.08 ? ? ? ? ? ? 90 ARG A CB 1 -ATOM 700 C CG . ARG A 1 90 ? 93.196 26.640 0.159 1.00 22.72 ? ? ? ? ? ? 90 ARG A CG 1 -ATOM 701 C CD . ARG A 1 90 ? 93.726 27.212 -1.118 1.00 26.58 ? ? ? ? ? ? 90 ARG A CD 1 -ATOM 702 N NE . ARG A 1 90 ? 92.869 26.878 -2.251 1.00 32.64 ? ? ? ? ? ? 90 ARG A NE 1 -ATOM 703 C CZ . ARG A 1 90 ? 92.747 25.658 -2.770 1.00 34.69 ? ? ? ? ? ? 90 ARG A CZ 1 -ATOM 704 N NH1 . ARG A 1 90 ? 93.417 24.636 -2.252 1.00 36.91 ? ? ? ? ? ? 90 ARG A NH1 1 -ATOM 705 N NH2 . ARG A 1 90 ? 92.016 25.475 -3.861 1.00 33.99 ? ? ? ? ? ? 90 ARG A NH2 1 -ATOM 706 N N . LEU A 1 91 ? 96.359 26.726 3.306 1.00 17.01 ? ? ? ? ? ? 91 LEU A N 1 -ATOM 707 C CA . LEU A 1 91 ? 97.139 27.257 4.420 1.00 14.91 ? ? ? ? ? ? 91 LEU A CA 1 -ATOM 708 C C . LEU A 1 91 ? 98.624 27.136 4.119 1.00 15.21 ? ? ? ? ? ? 91 LEU A C 1 -ATOM 709 O O . LEU A 1 91 ? 99.357 28.112 4.265 1.00 15.92 ? ? ? ? ? ? 91 LEU A O 1 -ATOM 710 C CB . LEU A 1 91 ? 96.822 26.539 5.735 1.00 11.61 ? ? ? ? ? ? 91 LEU A CB 1 -ATOM 711 C CG . LEU A 1 91 ? 95.444 26.677 6.388 1.00 8.89 ? ? ? ? ? ? 91 LEU A CG 1 -ATOM 712 C CD1 . LEU A 1 91 ? 95.521 25.961 7.716 1.00 7.72 ? ? ? ? ? ? 91 LEU A CD1 1 -ATOM 713 C CD2 . LEU A 1 91 ? 95.030 28.131 6.597 1.00 5.23 ? ? ? ? ? ? 91 LEU A CD2 1 -ATOM 714 N N . SER A 1 92 ? 99.066 25.964 3.661 1.00 15.78 ? ? ? ? ? ? 92 SER A N 1 -ATOM 715 C CA . SER A 1 92 ? 100.488 25.770 3.342 1.00 16.29 ? ? ? ? ? ? 92 SER A CA 1 -ATOM 716 C C . SER A 1 92 ? 100.930 26.776 2.299 1.00 16.66 ? ? ? ? ? ? 92 SER A C 1 -ATOM 717 O O . SER A 1 92 ? 101.969 27.423 2.450 1.00 17.65 ? ? ? ? ? ? 92 SER A O 1 -ATOM 718 C CB . SER A 1 92 ? 100.770 24.356 2.823 1.00 14.74 ? ? ? ? ? ? 92 SER A CB 1 -ATOM 719 O OG . SER A 1 92 ? 101.443 23.564 3.798 1.00 16.41 ? ? ? ? ? ? 92 SER A OG 1 -ATOM 720 N N . ALA A 1 93 ? 100.117 26.911 1.260 1.00 16.76 ? ? ? ? ? ? 93 ALA A N 1 -ATOM 721 C CA . ALA A 1 93 ? 100.368 27.824 0.164 1.00 17.35 ? ? ? ? ? ? 93 ALA A CA 1 -ATOM 722 C C . ALA A 1 93 ? 100.498 29.241 0.699 1.00 19.42 ? ? ? ? ? ? 93 ALA A C 1 -ATOM 723 O O . ALA A 1 93 ? 101.514 29.899 0.479 1.00 21.20 ? ? ? ? ? ? 93 ALA A O 1 -ATOM 724 C CB . ALA A 1 93 ? 99.239 27.740 -0.851 1.00 16.38 ? ? ? ? ? ? 93 ALA A CB 1 -ATOM 725 N N . ILE A 1 94 ? 99.490 29.706 1.427 1.00 20.59 ? ? ? ? ? ? 94 ILE A N 1 -ATOM 726 C CA . ILE A 1 94 ? 99.522 31.047 1.989 1.00 21.36 ? ? ? ? ? ? 94 ILE A CA 1 -ATOM 727 C C . ILE A 1 94 ? 100.669 31.223 2.982 1.00 23.24 ? ? ? ? ? ? 94 ILE A C 1 -ATOM 728 O O . ILE A 1 94 ? 101.274 32.291 3.063 1.00 26.13 ? ? ? ? ? ? 94 ILE A O 1 -ATOM 729 C CB . ILE A 1 94 ? 98.185 31.395 2.650 1.00 19.84 ? ? ? ? ? ? 94 ILE A CB 1 -ATOM 730 C CG1 . ILE A 1 94 ? 97.156 31.681 1.561 1.00 22.43 ? ? ? ? ? ? 94 ILE A CG1 1 -ATOM 731 C CG2 . ILE A 1 94 ? 98.325 32.598 3.530 1.00 21.42 ? ? ? ? ? ? 94 ILE A CG2 1 -ATOM 732 C CD1 . ILE A 1 94 ? 95.726 31.822 2.045 1.00 22.96 ? ? ? ? ? ? 94 ILE A CD1 1 -ATOM 733 N N . LYS A 1 95 ? 101.022 30.168 3.693 1.00 22.89 ? ? ? ? ? ? 95 LYS A N 1 -ATOM 734 C CA . LYS A 1 95 ? 102.099 30.273 4.656 1.00 23.98 ? ? ? ? ? ? 95 LYS A CA 1 -ATOM 735 C C . LYS A 1 95 ? 103.434 30.503 3.966 1.00 26.05 ? ? ? ? ? ? 95 LYS A C 1 -ATOM 736 O O . LYS A 1 95 ? 104.284 31.211 4.468 1.00 25.90 ? ? ? ? ? ? 95 LYS A O 1 -ATOM 737 C CB . LYS A 1 95 ? 102.178 28.998 5.508 1.00 22.29 ? ? ? ? ? ? 95 LYS A CB 1 -ATOM 738 C CG . LYS A 1 95 ? 103.466 28.863 6.312 1.00 17.79 ? ? ? ? ? ? 95 LYS A CG 1 -ATOM 739 C CD . LYS A 1 95 ? 103.489 27.619 7.154 1.00 13.87 ? ? ? ? ? ? 95 LYS A CD 1 -ATOM 740 C CE . LYS A 1 95 ? 104.870 27.414 7.673 1.00 11.39 ? ? ? ? ? ? 95 LYS A CE 1 -ATOM 741 N NZ . LYS A 1 95 ? 104.918 26.319 8.659 1.00 13.24 ? ? ? ? ? ? 95 LYS A NZ 1 -ATOM 742 N N . GLU A 1 96 ? 103.628 29.868 2.826 1.00 29.95 ? ? ? ? ? ? 96 GLU A N 1 -ATOM 743 C CA . GLU A 1 96 ? 104.893 30.003 2.127 1.00 33.80 ? ? ? ? ? ? 96 GLU A CA 1 -ATOM 744 C C . GLU A 1 96 ? 104.979 31.372 1.501 1.00 33.61 ? ? ? ? ? ? 96 GLU A C 1 -ATOM 745 O O . GLU A 1 96 ? 105.905 32.128 1.769 1.00 37.23 ? ? ? ? ? ? 96 GLU A O 1 -ATOM 746 C CB . GLU A 1 96 ? 105.036 28.931 1.041 1.00 37.35 ? ? ? ? ? ? 96 GLU A CB 1 -ATOM 747 C CG . GLU A 1 96 ? 105.110 27.492 1.580 1.00 44.27 ? ? ? ? ? ? 96 GLU A CG 1 -ATOM 748 C CD . GLU A 1 96 ? 106.541 27.022 1.837 1.00 48.56 ? ? ? ? ? ? 96 GLU A CD 1 -ATOM 749 O OE1 . GLU A 1 96 ? 107.050 27.253 2.964 1.00 49.98 ? ? ? ? ? ? 96 GLU A OE1 1 -ATOM 750 O OE2 . GLU A 1 96 ? 107.151 26.426 0.905 1.00 50.00 ? ? ? ? ? ? 96 GLU A OE2 1 -ATOM 751 N N . LYS A 1 97 ? 103.959 31.725 0.738 1.00 30.92 ? ? ? ? ? ? 97 LYS A N 1 -ATOM 752 C CA . LYS A 1 97 ? 103.955 32.987 0.040 1.00 28.36 ? ? ? ? ? ? 97 LYS A CA 1 -ATOM 753 C C . LYS A 1 97 ? 103.987 34.213 0.937 1.00 28.66 ? ? ? ? ? ? 97 LYS A C 1 -ATOM 754 O O . LYS A 1 97 ? 104.618 35.213 0.577 1.00 31.22 ? ? ? ? ? ? 97 LYS A O 1 -ATOM 755 C CB . LYS A 1 97 ? 102.765 33.031 -0.906 1.00 28.37 ? ? ? ? ? ? 97 LYS A CB 1 -ATOM 756 C CG . LYS A 1 97 ? 102.718 34.221 -1.817 1.00 29.48 ? ? ? ? ? ? 97 LYS A CG 1 -ATOM 757 C CD . LYS A 1 97 ? 101.734 33.980 -2.917 1.00 31.71 ? ? ? ? ? ? 97 LYS A CD 1 -ATOM 758 C CE . LYS A 1 97 ? 102.434 33.598 -4.230 1.00 35.24 ? ? ? ? ? ? 97 LYS A CE 1 -ATOM 759 N NZ . LYS A 1 97 ? 103.324 32.383 -4.235 1.00 34.45 ? ? ? ? ? ? 97 LYS A NZ 1 -ATOM 760 N N . TYR A 1 98 ? 103.383 34.146 2.120 1.00 25.75 ? ? ? ? ? ? 98 TYR A N 1 -ATOM 761 C CA . TYR A 1 98 ? 103.368 35.317 2.987 1.00 21.95 ? ? ? ? ? ? 98 TYR A CA 1 -ATOM 762 C C . TYR A 1 98 ? 103.856 35.165 4.438 1.00 19.62 ? ? ? ? ? ? 98 TYR A C 1 -ATOM 763 O O . TYR A 1 98 ? 103.804 36.109 5.219 1.00 18.98 ? ? ? ? ? ? 98 TYR A O 1 -ATOM 764 C CB . TYR A 1 98 ? 101.974 35.882 3.001 1.00 23.82 ? ? ? ? ? ? 98 TYR A CB 1 -ATOM 765 C CG . TYR A 1 98 ? 101.354 35.967 1.648 1.00 27.41 ? ? ? ? ? ? 98 TYR A CG 1 -ATOM 766 C CD1 . TYR A 1 98 ? 101.696 36.982 0.766 1.00 29.27 ? ? ? ? ? ? 98 TYR A CD1 1 -ATOM 767 C CD2 . TYR A 1 98 ? 100.396 35.052 1.251 1.00 29.96 ? ? ? ? ? ? 98 TYR A CD2 1 -ATOM 768 C CE1 . TYR A 1 98 ? 101.089 37.085 -0.486 1.00 31.07 ? ? ? ? ? ? 98 TYR A CE1 1 -ATOM 769 C CE2 . TYR A 1 98 ? 99.783 35.141 0.002 1.00 31.73 ? ? ? ? ? ? 98 TYR A CE2 1 -ATOM 770 C CZ . TYR A 1 98 ? 100.134 36.157 -0.857 1.00 31.78 ? ? ? ? ? ? 98 TYR A CZ 1 -ATOM 771 O OH . TYR A 1 98 ? 99.534 36.230 -2.092 1.00 33.46 ? ? ? ? ? ? 98 TYR A OH 1 -ATOM 772 N N . GLY A 1 99 ? 104.341 33.987 4.791 1.00 17.24 ? ? ? ? ? ? 99 GLY A N 1 -ATOM 773 C CA . GLY A 1 99 ? 104.815 33.769 6.146 1.00 15.44 ? ? ? ? ? ? 99 GLY A CA 1 -ATOM 774 C C . GLY A 1 99 ? 103.702 33.246 7.024 1.00 14.64 ? ? ? ? ? ? 99 GLY A C 1 -ATOM 775 O O . GLY A 1 99 ? 102.528 33.530 6.762 1.00 15.03 ? ? ? ? ? ? 99 GLY A O 1 -ATOM 776 N N . PRO A 1 100 ? 104.033 32.511 8.100 1.00 13.22 ? ? ? ? ? ? 100 PRO A N 1 -ATOM 777 C CA . PRO A 1 100 ? 103.041 31.956 9.019 1.00 12.63 ? ? ? ? ? ? 100 PRO A CA 1 -ATOM 778 C C . PRO A 1 100 ? 102.042 32.930 9.630 1.00 11.52 ? ? ? ? ? ? 100 PRO A C 1 -ATOM 779 O O . PRO A 1 100 ? 100.896 32.582 9.785 1.00 13.70 ? ? ? ? ? ? 100 PRO A O 1 -ATOM 780 C CB . PRO A 1 100 ? 103.901 31.226 10.067 1.00 11.49 ? ? ? ? ? ? 100 PRO A CB 1 -ATOM 781 C CG . PRO A 1 100 ? 105.231 31.871 9.975 1.00 11.36 ? ? ? ? ? ? 100 PRO A CG 1 -ATOM 782 C CD . PRO A 1 100 ? 105.375 32.044 8.475 1.00 13.33 ? ? ? ? ? ? 100 PRO A CD 1 -ATOM 783 N N . ASP A 1 101 ? 102.451 34.156 9.917 1.00 11.79 ? ? ? ? ? ? 101 ASP A N 1 -ATOM 784 C CA . ASP A 1 101 ? 101.557 35.167 10.509 1.00 10.69 ? ? ? ? ? ? 101 ASP A CA 1 -ATOM 785 C C . ASP A 1 101 ? 100.431 35.650 9.613 1.00 10.79 ? ? ? ? ? ? 101 ASP A C 1 -ATOM 786 O O . ASP A 1 101 ? 99.626 36.484 10.034 1.00 11.72 ? ? ? ? ? ? 101 ASP A O 1 -ATOM 787 C CB . ASP A 1 101 ? 102.323 36.409 10.937 1.00 10.42 ? ? ? ? ? ? 101 ASP A CB 1 -ATOM 788 C CG . ASP A 1 101 ? 103.188 36.181 12.148 1.00 10.85 ? ? ? ? ? ? 101 ASP A CG 1 -ATOM 789 O OD1 . ASP A 1 101 ? 103.510 35.017 12.460 1.00 8.84 ? ? ? ? ? ? 101 ASP A OD1 1 -ATOM 790 O OD2 . ASP A 1 101 ? 103.562 37.197 12.774 1.00 14.05 ? ? ? ? ? ? 101 ASP A OD2 1 -ATOM 791 N N . ALA A 1 102 ? 100.400 35.210 8.360 1.00 9.46 ? ? ? ? ? ? 102 ALA A N 1 -ATOM 792 C CA . ALA A 1 102 ? 99.323 35.631 7.482 1.00 7.69 ? ? ? ? ? ? 102 ALA A CA 1 -ATOM 793 C C . ALA A 1 102 ? 98.065 34.831 7.791 1.00 7.73 ? ? ? ? ? ? 102 ALA A C 1 -ATOM 794 O O . ALA A 1 102 ? 97.039 35.061 7.173 1.00 7.40 ? ? ? ? ? ? 102 ALA A O 1 -ATOM 795 C CB . ALA A 1 102 ? 99.710 35.420 6.068 1.00 8.68 ? ? ? ? ? ? 102 ALA A CB 1 -ATOM 796 N N . ILE A 1 103 ? 98.163 33.873 8.719 1.00 7.63 ? ? ? ? ? ? 103 ILE A N 1 -ATOM 797 C CA . ILE A 1 103 ? 97.053 32.998 9.119 1.00 7.20 ? ? ? ? ? ? 103 ILE A CA 1 -ATOM 798 C C . ILE A 1 103 ? 96.660 33.299 10.555 1.00 8.32 ? ? ? ? ? ? 103 ILE A C 1 -ATOM 799 O O . ILE A 1 103 ? 97.539 33.471 11.391 1.00 9.25 ? ? ? ? ? ? 103 ILE A O 1 -ATOM 800 C CB . ILE A 1 103 ? 97.478 31.533 9.067 1.00 5.34 ? ? ? ? ? ? 103 ILE A CB 1 -ATOM 801 C CG1 . ILE A 1 103 ? 97.666 31.103 7.619 1.00 5.62 ? ? ? ? ? ? 103 ILE A CG1 1 -ATOM 802 C CG2 . ILE A 1 103 ? 96.502 30.657 9.811 1.00 3.79 ? ? ? ? ? ? 103 ILE A CG2 1 -ATOM 803 C CD1 . ILE A 1 103 ? 99.038 30.547 7.362 1.00 7.09 ? ? ? ? ? ? 103 ILE A CD1 1 -ATOM 804 N N . GLN A 1 104 ? 95.355 33.360 10.841 1.00 7.14 ? ? ? ? ? ? 104 GLN A N 1 -ATOM 805 C CA . GLN A 1 104 ? 94.879 33.636 12.187 1.00 6.92 ? ? ? ? ? ? 104 GLN A CA 1 -ATOM 806 C C . GLN A 1 104 ? 93.976 32.482 12.579 1.00 7.22 ? ? ? ? ? ? 104 GLN A C 1 -ATOM 807 O O . GLN A 1 104 ? 93.143 32.080 11.776 1.00 8.70 ? ? ? ? ? ? 104 GLN A O 1 -ATOM 808 C CB . GLN A 1 104 ? 94.072 34.934 12.197 1.00 8.55 ? ? ? ? ? ? 104 GLN A CB 1 -ATOM 809 C CG . GLN A 1 104 ? 93.316 35.234 13.508 1.00 9.03 ? ? ? ? ? ? 104 GLN A CG 1 -ATOM 810 C CD . GLN A 1 104 ? 94.238 35.621 14.653 1.00 8.09 ? ? ? ? ? ? 104 GLN A CD 1 -ATOM 811 O OE1 . GLN A 1 104 ? 95.207 36.327 14.454 1.00 12.51 ? ? ? ? ? ? 104 GLN A OE1 1 -ATOM 812 N NE2 . GLN A 1 104 ? 93.934 35.166 15.845 1.00 7.05 ? ? ? ? ? ? 104 GLN A NE2 1 -ATOM 813 N N . THR A 1 105 ? 94.132 31.958 13.797 1.00 5.04 ? ? ? ? ? ? 105 THR A N 1 -ATOM 814 C CA . THR A 1 105 ? 93.326 30.849 14.277 1.00 4.79 ? ? ? ? ? ? 105 THR A CA 1 -ATOM 815 C C . THR A 1 105 ? 92.652 31.277 15.587 1.00 7.05 ? ? ? ? ? ? 105 THR A C 1 -ATOM 816 O O . THR A 1 105 ? 93.084 32.254 16.206 1.00 6.59 ? ? ? ? ? ? 105 THR A O 1 -ATOM 817 C CB . THR A 1 105 ? 94.193 29.558 14.524 1.00 4.59 ? ? ? ? ? ? 105 THR A CB 1 -ATOM 818 O OG1 . THR A 1 105 ? 95.060 29.727 15.658 1.00 2.00 ? ? ? ? ? ? 105 THR A OG1 1 -ATOM 819 C CG2 . THR A 1 105 ? 95.048 29.237 13.298 1.00 4.72 ? ? ? ? ? ? 105 THR A CG2 1 -ATOM 820 N N . THR A 1 106 ? 91.555 30.619 15.970 1.00 6.98 ? ? ? ? ? ? 106 THR A N 1 -ATOM 821 C CA . THR A 1 106 ? 90.899 30.956 17.224 1.00 9.02 ? ? ? ? ? ? 106 THR A CA 1 -ATOM 822 C C . THR A 1 106 ? 90.622 29.649 17.936 1.00 10.21 ? ? ? ? ? ? 106 THR A C 1 -ATOM 823 O O . THR A 1 106 ? 90.561 28.608 17.297 1.00 11.73 ? ? ? ? ? ? 106 THR A O 1 -ATOM 824 C CB . THR A 1 106 ? 89.535 31.691 17.042 1.00 9.82 ? ? ? ? ? ? 106 THR A CB 1 -ATOM 825 O OG1 . THR A 1 106 ? 88.503 30.744 16.734 1.00 10.13 ? ? ? ? ? ? 106 THR A OG1 1 -ATOM 826 C CG2 . THR A 1 106 ? 89.607 32.718 15.923 1.00 11.71 ? ? ? ? ? ? 106 THR A CG2 1 -ATOM 827 N N . GLY A 1 107 ? 90.563 29.693 19.263 1.00 10.03 ? ? ? ? ? ? 107 GLY A N 1 -ATOM 828 C CA . GLY A 1 107 ? 90.227 28.508 20.018 1.00 9.25 ? ? ? ? ? ? 107 GLY A CA 1 -ATOM 829 C C . GLY A 1 107 ? 88.719 28.621 20.205 1.00 9.84 ? ? ? ? ? ? 107 GLY A C 1 -ATOM 830 O O . GLY A 1 107 ? 88.062 29.390 19.495 1.00 9.20 ? ? ? ? ? ? 107 GLY A O 1 -ATOM 831 N N . SER A 1 108 ? 88.153 27.874 21.146 1.00 10.71 ? ? ? ? ? ? 108 SER A N 1 -ATOM 832 C CA . SER A 1 108 ? 86.715 27.937 21.403 1.00 10.57 ? ? ? ? ? ? 108 SER A CA 1 -ATOM 833 C C . SER A 1 108 ? 86.431 27.641 22.872 1.00 11.02 ? ? ? ? ? ? 108 SER A C 1 -ATOM 834 O O . SER A 1 108 ? 86.894 26.654 23.441 1.00 11.29 ? ? ? ? ? ? 108 SER A O 1 -ATOM 835 C CB . SER A 1 108 ? 85.937 26.981 20.494 1.00 10.03 ? ? ? ? ? ? 108 SER A CB 1 -ATOM 836 O OG . SER A 1 108 ? 84.542 27.165 20.666 1.00 9.79 ? ? ? ? ? ? 108 SER A OG 1 -ATOM 837 N N . SER A 1 109 ? 85.682 28.528 23.489 1.00 12.53 ? ? ? ? ? ? 109 SER A N 1 -ATOM 838 C CA . SER A 1 109 ? 85.341 28.399 24.884 1.00 15.34 ? ? ? ? ? ? 109 SER A CA 1 -ATOM 839 C C . SER A 1 109 ? 84.069 27.605 25.152 1.00 16.79 ? ? ? ? ? ? 109 SER A C 1 -ATOM 840 O O . SER A 1 109 ? 83.606 27.589 26.296 1.00 17.42 ? ? ? ? ? ? 109 SER A O 1 -ATOM 841 C CB . SER A 1 109 ? 85.181 29.788 25.457 1.00 16.20 ? ? ? ? ? ? 109 SER A CB 1 -ATOM 842 O OG . SER A 1 109 ? 86.128 30.653 24.862 1.00 19.07 ? ? ? ? ? ? 109 SER A OG 1 -ATOM 843 N N . ARG A 1 110 ? 83.474 26.996 24.118 1.00 16.85 ? ? ? ? ? ? 110 ARG A N 1 -ATOM 844 C CA . ARG A 1 110 ? 82.248 26.222 24.321 1.00 17.04 ? ? ? ? ? ? 110 ARG A CA 1 -ATOM 845 C C . ARG A 1 110 ? 82.444 24.725 24.436 1.00 17.08 ? ? ? ? ? ? 110 ARG A C 1 -ATOM 846 O O . ARG A 1 110 ? 83.478 24.276 24.924 1.00 19.93 ? ? ? ? ? ? 110 ARG A O 1 -ATOM 847 C CB . ARG A 1 110 ? 81.190 26.564 23.286 1.00 15.32 ? ? ? ? ? ? 110 ARG A CB 1 -ATOM 848 C CG . ARG A 1 110 ? 80.830 28.033 23.303 1.00 16.74 ? ? ? ? ? ? 110 ARG A CG 1 -ATOM 849 C CD . ARG A 1 110 ? 80.354 28.522 24.661 1.00 15.46 ? ? ? ? ? ? 110 ARG A CD 1 -ATOM 850 N NE . ARG A 1 110 ? 78.938 28.840 24.610 1.00 17.98 ? ? ? ? ? ? 110 ARG A NE 1 -ATOM 851 C CZ . ARG A 1 110 ? 77.970 27.928 24.641 1.00 19.46 ? ? ? ? ? ? 110 ARG A CZ 1 -ATOM 852 N NH1 . ARG A 1 110 ? 78.256 26.644 24.742 1.00 21.83 ? ? ? ? ? ? 110 ARG A NH1 1 -ATOM 853 N NH2 . ARG A 1 110 ? 76.713 28.283 24.469 1.00 21.23 ? ? ? ? ? ? 110 ARG A NH2 1 -ATOM 854 N N . GLY A 1 111 ? 81.475 23.950 23.973 1.00 15.71 ? ? ? ? ? ? 111 GLY A N 1 -ATOM 855 C CA . GLY A 1 111 ? 81.561 22.505 24.086 1.00 15.06 ? ? ? ? ? ? 111 GLY A CA 1 -ATOM 856 C C . GLY A 1 111 ? 82.799 21.669 23.743 1.00 14.50 ? ? ? ? ? ? 111 GLY A C 1 -ATOM 857 O O . GLY A 1 111 ? 82.781 20.483 24.048 1.00 16.34 ? ? ? ? ? ? 111 GLY A O 1 -ATOM 858 N N . THR A 1 112 ? 83.853 22.206 23.132 1.00 13.42 ? ? ? ? ? ? 112 THR A N 1 -ATOM 859 C CA . THR A 1 112 ? 85.011 21.367 22.783 1.00 12.22 ? ? ? ? ? ? 112 THR A CA 1 -ATOM 860 C C . THR A 1 112 ? 85.831 20.781 23.910 1.00 12.28 ? ? ? ? ? ? 112 THR A C 1 -ATOM 861 O O . THR A 1 112 ? 86.222 19.619 23.863 1.00 12.90 ? ? ? ? ? ? 112 THR A O 1 -ATOM 862 C CB . THR A 1 112 ? 86.020 22.051 21.865 1.00 13.08 ? ? ? ? ? ? 112 THR A CB 1 -ATOM 863 O OG1 . THR A 1 112 ? 85.861 23.481 21.885 1.00 15.49 ? ? ? ? ? ? 112 THR A OG1 1 -ATOM 864 C CG2 . THR A 1 112 ? 85.905 21.513 20.502 1.00 7.69 ? ? ? ? ? ? 112 THR A CG2 1 -ATOM 865 N N . GLY A 1 113 ? 86.136 21.582 24.908 1.00 11.49 ? ? ? ? ? ? 113 GLY A N 1 -ATOM 866 C CA . GLY A 1 113 ? 86.933 21.070 25.993 1.00 10.63 ? ? ? ? ? ? 113 GLY A CA 1 -ATOM 867 C C . GLY A 1 113 ? 88.280 21.742 25.932 1.00 12.01 ? ? ? ? ? ? 113 GLY A C 1 -ATOM 868 O O . GLY A 1 113 ? 88.593 22.486 24.992 1.00 12.02 ? ? ? ? ? ? 113 GLY A O 1 -ATOM 869 N N . ASN A 1 114 ? 89.068 21.501 26.969 1.00 12.55 ? ? ? ? ? ? 114 ASN A N 1 -ATOM 870 C CA . ASN A 1 114 ? 90.401 22.047 27.093 1.00 10.97 ? ? ? ? ? ? 114 ASN A CA 1 -ATOM 871 C C . ASN A 1 114 ? 91.354 21.367 26.148 1.00 12.80 ? ? ? ? ? ? 114 ASN A C 1 -ATOM 872 O O . ASN A 1 114 ? 92.232 22.011 25.579 1.00 15.77 ? ? ? ? ? ? 114 ASN A O 1 -ATOM 873 C CB . ASN A 1 114 ? 90.892 21.865 28.516 1.00 7.94 ? ? ? ? ? ? 114 ASN A CB 1 -ATOM 874 C CG . ASN A 1 114 ? 90.408 22.936 29.411 1.00 4.67 ? ? ? ? ? ? 114 ASN A CG 1 -ATOM 875 O OD1 . ASN A 1 114 ? 89.868 23.914 28.953 1.00 3.27 ? ? ? ? ? ? 114 ASN A OD1 1 -ATOM 876 N ND2 . ASN A 1 114 ? 90.613 22.778 30.693 1.00 8.00 ? ? ? ? ? ? 114 ASN A ND2 1 -ATOM 877 N N . GLU A 1 115 ? 91.144 20.076 25.933 1.00 13.44 ? ? ? ? ? ? 115 GLU A N 1 -ATOM 878 C CA . GLU A 1 115 ? 92.005 19.283 25.052 1.00 14.31 ? ? ? ? ? ? 115 GLU A CA 1 -ATOM 879 C C . GLU A 1 115 ? 92.182 19.872 23.653 1.00 14.02 ? ? ? ? ? ? 115 GLU A C 1 -ATOM 880 O O . GLU A 1 115 ? 93.311 19.990 23.154 1.00 14.75 ? ? ? ? ? ? 115 GLU A O 1 -ATOM 881 C CB . GLU A 1 115 ? 91.489 17.843 24.938 1.00 13.99 ? ? ? ? ? ? 115 GLU A CB 1 -ATOM 882 C CG . GLU A 1 115 ? 91.585 17.021 26.231 1.00 14.40 ? ? ? ? ? ? 115 GLU A CG 1 -ATOM 883 C CD . GLU A 1 115 ? 90.485 17.307 27.226 1.00 14.61 ? ? ? ? ? ? 115 GLU A CD 1 -ATOM 884 O OE1 . GLU A 1 115 ? 89.570 18.082 26.923 1.00 17.30 ? ? ? ? ? ? 115 GLU A OE1 1 -ATOM 885 O OE2 . GLU A 1 115 ? 90.523 16.760 28.337 1.00 16.42 ? ? ? ? ? ? 115 GLU A OE2 1 -ATOM 886 N N . THR A 1 116 ? 91.082 20.306 23.048 1.00 13.32 ? ? ? ? ? ? 116 THR A N 1 -ATOM 887 C CA . THR A 1 116 ? 91.172 20.818 21.705 1.00 13.92 ? ? ? ? ? ? 116 THR A CA 1 -ATOM 888 C C . THR A 1 116 ? 91.687 22.232 21.617 1.00 14.69 ? ? ? ? ? ? 116 THR A C 1 -ATOM 889 O O . THR A 1 116 ? 92.264 22.616 20.591 1.00 16.29 ? ? ? ? ? ? 116 THR A O 1 -ATOM 890 C CB . THR A 1 116 ? 89.884 20.573 20.879 1.00 14.93 ? ? ? ? ? ? 116 THR A CB 1 -ATOM 891 O OG1 . THR A 1 116 ? 89.440 21.783 20.256 1.00 17.96 ? ? ? ? ? ? 116 THR A OG1 1 -ATOM 892 C CG2 . THR A 1 116 ? 88.794 20.003 21.728 1.00 15.50 ? ? ? ? ? ? 116 THR A CG2 1 -ATOM 893 N N . ASN A 1 117 ? 91.508 23.025 22.674 1.00 12.85 ? ? ? ? ? ? 117 ASN A N 1 -ATOM 894 C CA . ASN A 1 117 ? 92.052 24.381 22.636 1.00 9.63 ? ? ? ? ? ? 117 ASN A CA 1 -ATOM 895 C C . ASN A 1 117 ? 93.603 24.227 22.637 1.00 9.33 ? ? ? ? ? ? 117 ASN A C 1 -ATOM 896 O O . ASN A 1 117 ? 94.342 24.871 21.856 1.00 5.29 ? ? ? ? ? ? 117 ASN A O 1 -ATOM 897 C CB . ASN A 1 117 ? 91.501 25.211 23.795 1.00 6.61 ? ? ? ? ? ? 117 ASN A CB 1 -ATOM 898 C CG . ASN A 1 117 ? 90.113 25.809 23.476 1.00 7.06 ? ? ? ? ? ? 117 ASN A CG 1 -ATOM 899 O OD1 . ASN A 1 117 ? 90.003 26.827 22.791 1.00 6.14 ? ? ? ? ? ? 117 ASN A OD1 1 -ATOM 900 N ND2 . ASN A 1 117 ? 89.060 25.175 23.968 1.00 4.75 ? ? ? ? ? ? 117 ASN A ND2 1 -ATOM 901 N N . TYR A 1 118 ? 94.060 23.253 23.420 1.00 10.56 ? ? ? ? ? ? 118 TYR A N 1 -ATOM 902 C CA . TYR A 1 118 ? 95.471 22.929 23.510 1.00 10.82 ? ? ? ? ? ? 118 TYR A CA 1 -ATOM 903 C C . TYR A 1 118 ? 95.920 22.517 22.118 1.00 11.86 ? ? ? ? ? ? 118 TYR A C 1 -ATOM 904 O O . TYR A 1 118 ? 96.880 23.063 21.591 1.00 13.93 ? ? ? ? ? ? 118 TYR A O 1 -ATOM 905 C CB . TYR A 1 118 ? 95.724 21.796 24.510 1.00 8.60 ? ? ? ? ? ? 118 TYR A CB 1 -ATOM 906 C CG . TYR A 1 118 ? 97.141 21.263 24.424 1.00 9.40 ? ? ? ? ? ? 118 TYR A CG 1 -ATOM 907 C CD1 . TYR A 1 118 ? 98.219 21.984 24.944 1.00 7.34 ? ? ? ? ? ? 118 TYR A CD1 1 -ATOM 908 C CD2 . TYR A 1 118 ? 97.414 20.070 23.744 1.00 9.86 ? ? ? ? ? ? 118 TYR A CD2 1 -ATOM 909 C CE1 . TYR A 1 118 ? 99.529 21.527 24.780 1.00 7.10 ? ? ? ? ? ? 118 TYR A CE1 1 -ATOM 910 C CE2 . TYR A 1 118 ? 98.717 19.612 23.571 1.00 7.79 ? ? ? ? ? ? 118 TYR A CE2 1 -ATOM 911 C CZ . TYR A 1 118 ? 99.768 20.336 24.087 1.00 7.15 ? ? ? ? ? ? 118 TYR A CZ 1 -ATOM 912 O OH . TYR A 1 118 ? 101.049 19.851 23.910 1.00 5.14 ? ? ? ? ? ? 118 TYR A OH 1 -ATOM 913 N N . VAL A 1 119 ? 95.234 21.560 21.513 1.00 12.94 ? ? ? ? ? ? 119 VAL A N 1 -ATOM 914 C CA . VAL A 1 119 ? 95.606 21.137 20.160 1.00 14.95 ? ? ? ? ? ? 119 VAL A CA 1 -ATOM 915 C C . VAL A 1 119 ? 95.635 22.325 19.162 1.00 15.86 ? ? ? ? ? ? 119 VAL A C 1 -ATOM 916 O O . VAL A 1 119 ? 96.545 22.423 18.327 1.00 17.16 ? ? ? ? ? ? 119 VAL A O 1 -ATOM 917 C CB . VAL A 1 119 ? 94.628 20.058 19.606 1.00 16.02 ? ? ? ? ? ? 119 VAL A CB 1 -ATOM 918 C CG1 . VAL A 1 119 ? 94.940 19.757 18.146 1.00 15.43 ? ? ? ? ? ? 119 VAL A CG1 1 -ATOM 919 C CG2 . VAL A 1 119 ? 94.682 18.776 20.448 1.00 15.00 ? ? ? ? ? ? 119 VAL A CG2 1 -ATOM 920 N N . MET A 1 120 ? 94.671 23.242 19.258 1.00 15.49 ? ? ? ? ? ? 120 MET A N 1 -ATOM 921 C CA . MET A 1 120 ? 94.641 24.363 18.325 1.00 15.31 ? ? ? ? ? ? 120 MET A CA 1 -ATOM 922 C C . MET A 1 120 ? 95.855 25.260 18.427 1.00 15.30 ? ? ? ? ? ? 120 MET A C 1 -ATOM 923 O O . MET A 1 120 ? 96.455 25.582 17.408 1.00 14.43 ? ? ? ? ? ? 120 MET A O 1 -ATOM 924 C CB . MET A 1 120 ? 93.365 25.189 18.453 1.00 15.35 ? ? ? ? ? ? 120 MET A CB 1 -ATOM 925 C CG . MET A 1 120 ? 93.304 26.372 17.467 1.00 15.15 ? ? ? ? ? ? 120 MET A CG 1 -ATOM 926 S SD . MET A 1 120 ? 93.368 25.949 15.699 1.00 14.37 ? ? ? ? ? ? 120 MET A SD 1 -ATOM 927 C CE . MET A 1 120 ? 91.657 26.218 15.210 1.00 12.51 ? ? ? ? ? ? 120 MET A CE 1 -ATOM 928 N N . GLN A 1 121 ? 96.240 25.648 19.642 1.00 15.67 ? ? ? ? ? ? 121 GLN A N 1 -ATOM 929 C CA . GLN A 1 121 ? 97.410 26.499 19.779 1.00 15.96 ? ? ? ? ? ? 121 GLN A CA 1 -ATOM 930 C C . GLN A 1 121 ? 98.606 25.730 19.272 1.00 16.34 ? ? ? ? ? ? 121 GLN A C 1 -ATOM 931 O O . GLN A 1 121 ? 99.374 26.245 18.481 1.00 18.25 ? ? ? ? ? ? 121 GLN A O 1 -ATOM 932 C CB . GLN A 1 121 ? 97.611 26.997 21.219 1.00 18.45 ? ? ? ? ? ? 121 GLN A CB 1 -ATOM 933 C CG . GLN A 1 121 ? 97.845 25.958 22.301 1.00 20.38 ? ? ? ? ? ? 121 GLN A CG 1 -ATOM 934 C CD . GLN A 1 121 ? 99.320 25.674 22.577 1.00 21.93 ? ? ? ? ? ? 121 GLN A CD 1 -ATOM 935 O OE1 . GLN A 1 121 ? 100.222 26.416 22.150 1.00 22.30 ? ? ? ? ? ? 121 GLN A OE1 1 -ATOM 936 N NE2 . GLN A 1 121 ? 99.572 24.591 23.305 1.00 20.54 ? ? ? ? ? ? 121 GLN A NE2 1 -ATOM 937 N N . LYS A 1 122 ? 98.683 24.450 19.615 1.00 16.06 ? ? ? ? ? ? 122 LYS A N 1 -ATOM 938 C CA . LYS A 1 122 ? 99.781 23.597 19.160 1.00 15.55 ? ? ? ? ? ? 122 LYS A CA 1 -ATOM 939 C C . LYS A 1 122 ? 99.954 23.604 17.637 1.00 15.82 ? ? ? ? ? ? 122 LYS A C 1 -ATOM 940 O O . LYS A 1 122 ? 101.078 23.628 17.124 1.00 15.88 ? ? ? ? ? ? 122 LYS A O 1 -ATOM 941 C CB . LYS A 1 122 ? 99.576 22.145 19.625 1.00 13.58 ? ? ? ? ? ? 122 LYS A CB 1 -ATOM 942 C CG . LYS A 1 122 ? 100.432 21.143 18.890 1.00 9.05 ? ? ? ? ? ? 122 LYS A CG 1 -ATOM 943 C CD . LYS A 1 122 ? 100.685 19.926 19.718 1.00 7.92 ? ? ? ? ? ? 122 LYS A CD 1 -ATOM 944 C CE . LYS A 1 122 ? 101.577 18.983 18.941 1.00 8.05 ? ? ? ? ? ? 122 LYS A CE 1 -ATOM 945 N NZ . LYS A 1 122 ? 101.857 17.705 19.653 1.00 7.90 ? ? ? ? ? ? 122 LYS A NZ 1 -ATOM 946 N N . PHE A 1 123 ? 98.848 23.569 16.916 1.00 14.89 ? ? ? ? ? ? 123 PHE A N 1 -ATOM 947 C CA . PHE A 1 123 ? 98.927 23.533 15.466 1.00 15.87 ? ? ? ? ? ? 123 PHE A CA 1 -ATOM 948 C C . PHE A 1 123 ? 99.361 24.885 14.899 1.00 16.36 ? ? ? ? ? ? 123 PHE A C 1 -ATOM 949 O O . PHE A 1 123 ? 100.129 24.950 13.931 1.00 18.46 ? ? ? ? ? ? 123 PHE A O 1 -ATOM 950 C CB . PHE A 1 123 ? 97.579 23.039 14.884 1.00 14.60 ? ? ? ? ? ? 123 PHE A CB 1 -ATOM 951 C CG . PHE A 1 123 ? 97.267 23.549 13.495 1.00 11.74 ? ? ? ? ? ? 123 PHE A CG 1 -ATOM 952 C CD1 . PHE A 1 123 ? 97.735 22.879 12.368 1.00 11.17 ? ? ? ? ? ? 123 PHE A CD1 1 -ATOM 953 C CD2 . PHE A 1 123 ? 96.466 24.671 13.320 1.00 8.72 ? ? ? ? ? ? 123 PHE A CD2 1 -ATOM 954 C CE1 . PHE A 1 123 ? 97.408 23.316 11.101 1.00 8.56 ? ? ? ? ? ? 123 PHE A CE1 1 -ATOM 955 C CE2 . PHE A 1 123 ? 96.135 25.113 12.053 1.00 9.82 ? ? ? ? ? ? 123 PHE A CE2 1 -ATOM 956 C CZ . PHE A 1 123 ? 96.607 24.435 10.940 1.00 8.57 ? ? ? ? ? ? 123 PHE A CZ 1 -ATOM 957 N N . ALA A 1 124 ? 98.930 25.963 15.531 1.00 15.20 ? ? ? ? ? ? 124 ALA A N 1 -ATOM 958 C CA . ALA A 1 124 ? 99.282 27.273 15.028 1.00 15.19 ? ? ? ? ? ? 124 ALA A CA 1 -ATOM 959 C C . ALA A 1 124 ? 100.782 27.502 15.210 1.00 15.47 ? ? ? ? ? ? 124 ALA A C 1 -ATOM 960 O O . ALA A 1 124 ? 101.483 27.927 14.280 1.00 15.96 ? ? ? ? ? ? 124 ALA A O 1 -ATOM 961 C CB . ALA A 1 124 ? 98.465 28.364 15.750 1.00 14.36 ? ? ? ? ? ? 124 ALA A CB 1 -ATOM 962 N N . ARG A 1 125 ? 101.283 27.124 16.380 1.00 14.69 ? ? ? ? ? ? 125 ARG A N 1 -ATOM 963 C CA . ARG A 1 125 ? 102.684 27.323 16.736 1.00 13.58 ? ? ? ? ? ? 125 ARG A CA 1 -ATOM 964 C C . ARG A 1 125 ? 103.708 26.345 16.190 1.00 14.03 ? ? ? ? ? ? 125 ARG A C 1 -ATOM 965 O O . ARG A 1 125 ? 104.800 26.754 15.811 1.00 15.17 ? ? ? ? ? ? 125 ARG A O 1 -ATOM 966 C CB . ARG A 1 125 ? 102.803 27.425 18.248 1.00 10.72 ? ? ? ? ? ? 125 ARG A CB 1 -ATOM 967 C CG . ARG A 1 125 ? 102.319 28.762 18.763 1.00 9.91 ? ? ? ? ? ? 125 ARG A CG 1 -ATOM 968 C CD . ARG A 1 125 ? 101.729 28.639 20.127 1.00 9.04 ? ? ? ? ? ? 125 ARG A CD 1 -ATOM 969 N NE . ARG A 1 125 ? 101.444 29.944 20.699 1.00 9.78 ? ? ? ? ? ? 125 ARG A NE 1 -ATOM 970 C CZ . ARG A 1 125 ? 100.581 30.142 21.684 1.00 10.44 ? ? ? ? ? ? 125 ARG A CZ 1 -ATOM 971 N NH1 . ARG A 1 125 ? 99.911 29.116 22.183 1.00 13.44 ? ? ? ? ? ? 125 ARG A NH1 1 -ATOM 972 N NH2 . ARG A 1 125 ? 100.447 31.342 22.229 1.00 10.44 ? ? ? ? ? ? 125 ARG A NH2 1 -ATOM 973 N N . ALA A 1 126 ? 103.364 25.060 16.178 1.00 13.74 ? ? ? ? ? ? 126 ALA A N 1 -ATOM 974 C CA . ALA A 1 126 ? 104.250 24.017 15.699 1.00 10.55 ? ? ? ? ? ? 126 ALA A CA 1 -ATOM 975 C C . ALA A 1 126 ? 104.066 23.738 14.231 1.00 10.93 ? ? ? ? ? ? 126 ALA A C 1 -ATOM 976 O O . ALA A 1 126 ? 105.035 23.466 13.534 1.00 13.25 ? ? ? ? ? ? 126 ALA A O 1 -ATOM 977 C CB . ALA A 1 126 ? 104.031 22.767 16.471 1.00 9.20 ? ? ? ? ? ? 126 ALA A CB 1 -ATOM 978 N N . VAL A 1 127 ? 102.834 23.776 13.746 1.00 9.87 ? ? ? ? ? ? 127 VAL A N 1 -ATOM 979 C CA . VAL A 1 127 ? 102.613 23.479 12.348 1.00 9.08 ? ? ? ? ? ? 127 VAL A CA 1 -ATOM 980 C C . VAL A 1 127 ? 102.711 24.729 11.493 1.00 11.01 ? ? ? ? ? ? 127 VAL A C 1 -ATOM 981 O O . VAL A 1 127 ? 103.525 24.790 10.574 1.00 12.25 ? ? ? ? ? ? 127 VAL A O 1 -ATOM 982 C CB . VAL A 1 127 ? 101.282 22.731 12.110 1.00 8.67 ? ? ? ? ? ? 127 VAL A CB 1 -ATOM 983 C CG1 . VAL A 1 127 ? 101.149 22.339 10.607 1.00 7.50 ? ? ? ? ? ? 127 VAL A CG1 1 -ATOM 984 C CG2 . VAL A 1 127 ? 101.212 21.476 13.006 1.00 6.50 ? ? ? ? ? ? 127 VAL A CG2 1 -ATOM 985 N N . ILE A 1 128 ? 101.902 25.735 11.794 1.00 11.74 ? ? ? ? ? ? 128 ILE A N 1 -ATOM 986 C CA . ILE A 1 128 ? 101.935 26.984 11.030 1.00 12.20 ? ? ? ? ? ? 128 ILE A CA 1 -ATOM 987 C C . ILE A 1 128 ? 103.177 27.820 11.393 1.00 13.04 ? ? ? ? ? ? 128 ILE A C 1 -ATOM 988 O O . ILE A 1 128 ? 103.831 28.388 10.513 1.00 12.44 ? ? ? ? ? ? 128 ILE A O 1 -ATOM 989 C CB . ILE A 1 128 ? 100.690 27.854 11.312 1.00 11.73 ? ? ? ? ? ? 128 ILE A CB 1 -ATOM 990 C CG1 . ILE A 1 128 ? 99.429 26.990 11.412 1.00 8.77 ? ? ? ? ? ? 128 ILE A CG1 1 -ATOM 991 C CG2 . ILE A 1 128 ? 100.529 28.893 10.189 1.00 14.51 ? ? ? ? ? ? 128 ILE A CG2 1 -ATOM 992 C CD1 . ILE A 1 128 ? 98.635 26.950 10.165 1.00 6.38 ? ? ? ? ? ? 128 ILE A CD1 1 -ATOM 993 N N . GLY A 1 129 ? 103.493 27.874 12.692 1.00 14.58 ? ? ? ? ? ? 129 GLY A N 1 -ATOM 994 C CA . GLY A 1 129 ? 104.630 28.643 13.194 1.00 13.93 ? ? ? ? ? ? 129 GLY A CA 1 -ATOM 995 C C . GLY A 1 129 ? 104.237 30.084 13.510 1.00 14.29 ? ? ? ? ? ? 129 GLY A C 1 -ATOM 996 O O . GLY A 1 129 ? 105.033 31.021 13.319 1.00 13.87 ? ? ? ? ? ? 129 GLY A O 1 -ATOM 997 N N . THR A 1 130 ? 103.019 30.255 14.020 1.00 13.24 ? ? ? ? ? ? 130 THR A N 1 -ATOM 998 C CA . THR A 1 130 ? 102.476 31.565 14.341 1.00 13.40 ? ? ? ? ? ? 130 THR A CA 1 -ATOM 999 C C . THR A 1 130 ? 101.980 31.541 15.769 1.00 13.59 ? ? ? ? ? ? 130 THR A C 1 -ATOM 1000 O O . THR A 1 130 ? 101.669 30.481 16.308 1.00 15.06 ? ? ? ? ? ? 130 THR A O 1 -ATOM 1001 C CB . THR A 1 130 ? 101.225 31.859 13.494 1.00 15.27 ? ? ? ? ? ? 130 THR A CB 1 -ATOM 1002 O OG1 . THR A 1 130 ? 101.286 31.144 12.263 1.00 17.32 ? ? ? ? ? ? 130 THR A OG1 1 -ATOM 1003 C CG2 . THR A 1 130 ? 101.110 33.302 13.183 1.00 17.40 ? ? ? ? ? ? 130 THR A CG2 1 -ATOM 1004 N N . ASN A 1 131 ? 101.883 32.708 16.381 1.00 14.05 ? ? ? ? ? ? 131 ASN A N 1 -ATOM 1005 C CA . ASN A 1 131 ? 101.350 32.811 17.736 1.00 13.96 ? ? ? ? ? ? 131 ASN A CA 1 -ATOM 1006 C C . ASN A 1 131 ? 99.934 33.375 17.608 1.00 14.16 ? ? ? ? ? ? 131 ASN A C 1 -ATOM 1007 O O . ASN A 1 131 ? 99.294 33.677 18.606 1.00 15.41 ? ? ? ? ? ? 131 ASN A O 1 -ATOM 1008 C CB . ASN A 1 131 ? 102.224 33.703 18.626 1.00 13.91 ? ? ? ? ? ? 131 ASN A CB 1 -ATOM 1009 C CG . ASN A 1 131 ? 103.463 32.983 19.151 1.00 15.03 ? ? ? ? ? ? 131 ASN A CG 1 -ATOM 1010 O OD1 . ASN A 1 131 ? 103.563 31.767 19.076 1.00 16.29 ? ? ? ? ? ? 131 ASN A OD1 1 -ATOM 1011 N ND2 . ASN A 1 131 ? 104.411 33.742 19.689 1.00 15.28 ? ? ? ? ? ? 131 ASN A ND2 1 -ATOM 1012 N N . ASN A 1 132 ? 99.466 33.526 16.364 1.00 15.02 ? ? ? ? ? ? 132 ASN A N 1 -ATOM 1013 C CA . ASN A 1 132 ? 98.108 34.015 16.042 1.00 16.42 ? ? ? ? ? ? 132 ASN A CA 1 -ATOM 1014 C C . ASN A 1 132 ? 97.012 33.037 16.541 1.00 17.22 ? ? ? ? ? ? 132 ASN A C 1 -ATOM 1015 O O . ASN A 1 132 ? 96.367 32.364 15.727 1.00 16.38 ? ? ? ? ? ? 132 ASN A O 1 -ATOM 1016 C CB . ASN A 1 132 ? 97.930 34.138 14.518 1.00 15.13 ? ? ? ? ? ? 132 ASN A CB 1 -ATOM 1017 C CG . ASN A 1 132 ? 98.521 35.396 13.947 1.00 13.43 ? ? ? ? ? ? 132 ASN A CG 1 -ATOM 1018 O OD1 . ASN A 1 132 ? 99.220 36.122 14.621 1.00 15.73 ? ? ? ? ? ? 132 ASN A OD1 1 -ATOM 1019 N ND2 . ASN A 1 132 ? 98.219 35.670 12.694 1.00 13.26 ? ? ? ? ? ? 132 ASN A ND2 1 -ATOM 1020 N N . VAL A 1 133 ? 96.842 32.927 17.859 1.00 18.24 ? ? ? ? ? ? 133 VAL A N 1 -ATOM 1021 C CA . VAL A 1 133 ? 95.833 32.048 18.454 1.00 19.18 ? ? ? ? ? ? 133 VAL A CA 1 -ATOM 1022 C C . VAL A 1 133 ? 95.183 32.848 19.546 1.00 21.02 ? ? ? ? ? ? 133 VAL A C 1 -ATOM 1023 O O . VAL A 1 133 ? 95.846 33.200 20.517 1.00 22.40 ? ? ? ? ? ? 133 VAL A O 1 -ATOM 1024 C CB . VAL A 1 133 ? 96.420 30.802 19.164 1.00 18.15 ? ? ? ? ? ? 133 VAL A CB 1 -ATOM 1025 C CG1 . VAL A 1 133 ? 95.796 29.544 18.585 1.00 15.92 ? ? ? ? ? ? 133 VAL A CG1 1 -ATOM 1026 C CG2 . VAL A 1 133 ? 97.954 30.798 19.140 1.00 15.87 ? ? ? ? ? ? 133 VAL A CG2 1 -ATOM 1027 N N . ASP A 1 134 ? 93.878 33.046 19.455 1.00 21.27 ? ? ? ? ? ? 134 ASP A N 1 -ATOM 1028 C CA . ASP A 1 134 ? 93.188 33.837 20.450 1.00 21.86 ? ? ? ? ? ? 134 ASP A CA 1 -ATOM 1029 C C . ASP A 1 134 ? 91.796 33.258 20.642 1.00 23.67 ? ? ? ? ? ? 134 ASP A C 1 -ATOM 1030 O O . ASP A 1 134 ? 91.362 32.389 19.876 1.00 24.01 ? ? ? ? ? ? 134 ASP A O 1 -ATOM 1031 C CB . ASP A 1 134 ? 93.125 35.287 19.940 1.00 21.31 ? ? ? ? ? ? 134 ASP A CB 1 -ATOM 1032 C CG . ASP A 1 134 ? 92.791 36.295 21.031 1.00 22.51 ? ? ? ? ? ? 134 ASP A CG 1 -ATOM 1033 O OD1 . ASP A 1 134 ? 92.807 35.961 22.241 1.00 22.84 ? ? ? ? ? ? 134 ASP A OD1 1 -ATOM 1034 O OD2 . ASP A 1 134 ? 92.517 37.454 20.660 1.00 19.76 ? ? ? ? ? ? 134 ASP A OD2 1 -ATOM 1035 N N . CYS A 1 135 ? 91.113 33.699 21.691 1.00 25.58 ? ? ? ? ? ? 135 CYS A N 1 -ATOM 1036 C CA . CYS A 1 135 ? 89.763 33.236 21.970 1.00 26.70 ? ? ? ? ? ? 135 CYS A CA 1 -ATOM 1037 C C . CYS A 1 135 ? 88.992 34.410 22.548 1.00 27.70 ? ? ? ? ? ? 135 CYS A C 1 -ATOM 1038 O O . CYS A 1 135 ? 89.582 35.472 22.769 1.00 27.42 ? ? ? ? ? ? 135 CYS A O 1 -ATOM 1039 C CB . CYS A 1 135 ? 89.770 32.030 22.918 1.00 26.46 ? ? ? ? ? ? 135 CYS A CB 1 -ATOM 1040 S SG . CYS A 1 135 ? 90.088 32.391 24.622 1.00 24.77 ? ? ? ? ? ? 135 CYS A SG 1 -ATOM 1041 N N . CYS A 1 136 ? 87.703 34.197 22.844 1.00 29.45 ? ? ? ? ? ? 136 CYS A N 1 -ATOM 1042 C CA . CYS A 1 136 ? 86.795 35.244 23.341 1.00 30.48 ? ? ? ? ? ? 136 CYS A CA 1 -ATOM 1043 C C . CYS A 1 136 ? 87.148 35.973 24.631 1.00 30.67 ? ? ? ? ? ? 136 CYS A C 1 -ATOM 1044 O O . CYS A 1 136 ? 86.430 36.883 25.060 1.00 29.00 ? ? ? ? ? ? 136 CYS A O 1 -ATOM 1045 C CB . CYS A 1 136 ? 85.358 34.740 23.394 1.00 31.38 ? ? ? ? ? ? 136 CYS A CB 1 -ATOM 1046 S SG . CYS A 1 136 ? 85.092 33.450 24.564 1.00 37.02 ? ? ? ? ? ? 136 CYS A SG 1 -ATOM 1047 N N . ALA A 1 137 ? 88.268 35.596 25.237 1.00 31.54 ? ? ? ? ? ? 137 ALA A N 1 -ATOM 1048 C CA . ALA A 1 137 ? 88.736 36.271 26.429 1.00 32.32 ? ? ? ? ? ? 137 ALA A CA 1 -ATOM 1049 C C . ALA A 1 137 ? 88.877 37.714 25.943 1.00 32.66 ? ? ? ? ? ? 137 ALA A C 1 -ATOM 1050 O O . ALA A 1 137 ? 88.540 38.661 26.641 1.00 33.54 ? ? ? ? ? ? 137 ALA A O 1 -ATOM 1051 C CB . ALA A 1 137 ? 90.086 35.717 26.832 1.00 31.85 ? ? ? ? ? ? 137 ALA A CB 1 -ATOM 1052 N N . ARG A 1 138 ? 89.280 37.827 24.683 1.00 32.36 ? ? ? ? ? ? 138 ARG A N 1 -ATOM 1053 C CA . ARG A 1 138 ? 89.475 39.078 23.957 1.00 32.73 ? ? ? ? ? ? 138 ARG A CA 1 -ATOM 1054 C C . ARG A 1 138 ? 88.312 40.055 24.096 1.00 31.57 ? ? ? ? ? ? 138 ARG A C 1 -ATOM 1055 O O . ARG A 1 138 ? 88.482 41.255 24.299 1.00 31.54 ? ? ? ? ? ? 138 ARG A O 1 -ATOM 1056 C CB . ARG A 1 138 ? 89.610 38.737 22.466 1.00 32.92 ? ? ? ? ? ? 138 ARG A CB 1 -ATOM 1057 C CG . ARG A 1 138 ? 90.109 39.861 21.582 1.00 33.56 ? ? ? ? ? ? 138 ARG A CG 1 -ATOM 1058 C CD . ARG A 1 138 ? 91.613 40.012 21.707 1.00 33.08 ? ? ? ? ? ? 138 ARG A CD 1 -ATOM 1059 N NE . ARG A 1 138 ? 92.044 40.363 23.054 1.00 33.33 ? ? ? ? ? ? 138 ARG A NE 1 -ATOM 1060 C CZ . ARG A 1 138 ? 92.958 39.700 23.754 1.00 34.07 ? ? ? ? ? ? 138 ARG A CZ 1 -ATOM 1061 N NH1 . ARG A 1 138 ? 93.545 38.626 23.257 1.00 35.74 ? ? ? ? ? ? 138 ARG A NH1 1 -ATOM 1062 N NH2 . ARG A 1 138 ? 93.333 40.150 24.942 1.00 36.08 ? ? ? ? ? ? 138 ARG A NH2 1 -ATOM 1063 N N . VAL A 1 139 ? 87.124 39.504 23.990 1.00 31.00 ? ? ? ? ? ? 139 VAL A N 1 -ATOM 1064 C CA . VAL A 1 139 ? 85.895 40.268 24.029 1.00 31.35 ? ? ? ? ? ? 139 VAL A CA 1 -ATOM 1065 C C . VAL A 1 139 ? 85.147 40.204 25.387 1.00 30.23 ? ? ? ? ? ? 139 VAL A C 1 -ATOM 1066 O O . VAL A 1 139 ? 84.184 40.948 25.636 1.00 29.30 ? ? ? ? ? ? 139 VAL A O 1 -ATOM 1067 C CB . VAL A 1 139 ? 85.047 39.771 22.817 1.00 31.77 ? ? ? ? ? ? 139 VAL A CB 1 -ATOM 1068 C CG1 . VAL A 1 139 ? 83.591 39.840 23.083 1.00 33.06 ? ? ? ? ? ? 139 VAL A CG1 1 -ATOM 1069 C CG2 . VAL A 1 139 ? 85.435 40.559 21.555 1.00 31.43 ? ? ? ? ? ? 139 VAL A CG2 1 -ATOM 1070 N N . CSE A 1 140 ? 85.635 39.346 26.276 1.00 29.32 ? ? ? ? ? ? 140 CSE A N 1 -ATOM 1071 C CA . CSE A 1 140 ? 85.027 39.153 27.583 1.00 27.91 ? ? ? ? ? ? 140 CSE A CA 1 -ATOM 1072 C CB . CSE A 1 140 ? 84.806 37.647 27.807 1.00 28.63 ? ? ? ? ? ? 140 CSE A CB 1 -ATOM 1073 SE SE . CSE A 1 140 ? 83.815 37.108 29.258 1.00 30.97 ? ? ? ? ? ? 140 CSE A SE 1 -ATOM 1074 C C . CSE A 1 140 ? 85.865 39.758 28.724 1.00 27.29 ? ? ? ? ? ? 140 CSE A C 1 -ATOM 1075 O O . CSE A 1 140 ? 85.777 40.961 29.041 1.00 25.08 ? ? ? ? ? ? 140 CSE A O 1 -ATOM 1076 N N . HIS A 1 141 ? 86.687 38.916 29.337 1.00 25.49 ? ? ? ? ? ? 141 HIS A N 1 -ATOM 1077 C CA . HIS A 1 141 ? 87.510 39.346 30.433 1.00 23.81 ? ? ? ? ? ? 141 HIS A CA 1 -ATOM 1078 C C . HIS A 1 141 ? 88.980 39.524 30.088 1.00 23.46 ? ? ? ? ? ? 141 HIS A C 1 -ATOM 1079 O O . HIS A 1 141 ? 89.854 39.314 30.942 1.00 24.21 ? ? ? ? ? ? 141 HIS A O 1 -ATOM 1080 C CB . HIS A 1 141 ? 87.337 38.385 31.599 1.00 23.63 ? ? ? ? ? ? 141 HIS A CB 1 -ATOM 1081 C CG . HIS A 1 141 ? 86.109 38.648 32.399 1.00 23.74 ? ? ? ? ? ? 141 HIS A CG 1 -ATOM 1082 N ND1 . HIS A 1 141 ? 86.159 39.040 33.723 1.00 23.16 ? ? ? ? ? ? 141 HIS A ND1 1 -ATOM 1083 C CD2 . HIS A 1 141 ? 84.800 38.615 32.064 1.00 25.72 ? ? ? ? ? ? 141 HIS A CD2 1 -ATOM 1084 C CE1 . HIS A 1 141 ? 84.932 39.234 34.166 1.00 25.42 ? ? ? ? ? ? 141 HIS A CE1 1 -ATOM 1085 N NE2 . HIS A 1 141 ? 84.086 38.985 33.180 1.00 27.60 ? ? ? ? ? ? 141 HIS A NE2 1 -ATOM 1086 N N . GLY A 1 142 ? 89.262 39.874 28.838 1.00 21.74 ? ? ? ? ? ? 142 GLY A N 1 -ATOM 1087 C CA . GLY A 1 142 ? 90.632 40.118 28.438 1.00 21.47 ? ? ? ? ? ? 142 GLY A CA 1 -ATOM 1088 C C . GLY A 1 142 ? 91.168 41.226 29.338 1.00 21.39 ? ? ? ? ? ? 142 GLY A C 1 -ATOM 1089 O O . GLY A 1 142 ? 92.278 41.122 29.894 1.00 20.56 ? ? ? ? ? ? 142 GLY A O 1 -ATOM 1090 N N . PRO A 1 143 ? 90.382 42.309 29.517 1.00 20.27 ? ? ? ? ? ? 143 PRO A N 1 -ATOM 1091 C CA . PRO A 1 143 ? 90.823 43.408 30.375 1.00 19.86 ? ? ? ? ? ? 143 PRO A CA 1 -ATOM 1092 C C . PRO A 1 143 ? 91.130 42.914 31.783 1.00 20.45 ? ? ? ? ? ? 143 PRO A C 1 -ATOM 1093 O O . PRO A 1 143 ? 92.142 43.308 32.358 1.00 19.15 ? ? ? ? ? ? 143 PRO A O 1 -ATOM 1094 C CB . PRO A 1 143 ? 89.611 44.345 30.365 1.00 19.57 ? ? ? ? ? ? 143 PRO A CB 1 -ATOM 1095 C CG . PRO A 1 143 ? 89.076 44.162 28.989 1.00 19.49 ? ? ? ? ? ? 143 PRO A CG 1 -ATOM 1096 C CD . PRO A 1 143 ? 89.137 42.664 28.812 1.00 18.89 ? ? ? ? ? ? 143 PRO A CD 1 -ATOM 1097 N N . SER A 1 144 ? 90.266 42.030 32.311 1.00 21.50 ? ? ? ? ? ? 144 SER A N 1 -ATOM 1098 C CA . SER A 1 144 ? 90.420 41.472 33.664 1.00 21.74 ? ? ? ? ? ? 144 SER A CA 1 -ATOM 1099 C C . SER A 1 144 ? 91.782 40.837 33.855 1.00 22.19 ? ? ? ? ? ? 144 SER A C 1 -ATOM 1100 O O . SER A 1 144 ? 92.451 41.106 34.855 1.00 22.68 ? ? ? ? ? ? 144 SER A O 1 -ATOM 1101 C CB . SER A 1 144 ? 89.350 40.423 33.995 1.00 20.33 ? ? ? ? ? ? 144 SER A CB 1 -ATOM 1102 O OG . SER A 1 144 ? 88.084 41.016 34.245 1.00 20.27 ? ? ? ? ? ? 144 SER A OG 1 -ATOM 1103 N N . VAL A 1 145 ? 92.199 40.020 32.887 1.00 21.78 ? ? ? ? ? ? 145 VAL A N 1 -ATOM 1104 C CA . VAL A 1 145 ? 93.491 39.347 32.978 1.00 20.98 ? ? ? ? ? ? 145 VAL A CA 1 -ATOM 1105 C C . VAL A 1 145 ? 94.633 40.346 33.000 1.00 20.95 ? ? ? ? ? ? 145 VAL A C 1 -ATOM 1106 O O . VAL A 1 145 ? 95.569 40.172 33.767 1.00 20.21 ? ? ? ? ? ? 145 VAL A O 1 -ATOM 1107 C CB . VAL A 1 145 ? 93.760 38.380 31.808 1.00 20.97 ? ? ? ? ? ? 145 VAL A CB 1 -ATOM 1108 C CG1 . VAL A 1 145 ? 95.106 37.719 32.018 1.00 20.95 ? ? ? ? ? ? 145 VAL A CG1 1 -ATOM 1109 C CG2 . VAL A 1 145 ? 92.659 37.338 31.680 1.00 20.19 ? ? ? ? ? ? 145 VAL A CG2 1 -ATOM 1110 N N . ALA A 1 146 ? 94.577 41.364 32.140 1.00 19.94 ? ? ? ? ? ? 146 ALA A N 1 -ATOM 1111 C CA . ALA A 1 146 ? 95.645 42.350 32.095 1.00 19.16 ? ? ? ? ? ? 146 ALA A CA 1 -ATOM 1112 C C . ALA A 1 146 ? 95.729 43.096 33.408 1.00 19.40 ? ? ? ? ? ? 146 ALA A C 1 -ATOM 1113 O O . ALA A 1 146 ? 96.694 42.921 34.156 1.00 20.34 ? ? ? ? ? ? 146 ALA A O 1 -ATOM 1114 C CB . ALA A 1 146 ? 95.453 43.308 30.957 1.00 19.00 ? ? ? ? ? ? 146 ALA A CB 1 -ATOM 1115 N N . GLY A 1 147 ? 94.709 43.893 33.702 1.00 19.22 ? ? ? ? ? ? 147 GLY A N 1 -ATOM 1116 C CA . GLY A 1 147 ? 94.676 44.657 34.937 1.00 19.79 ? ? ? ? ? ? 147 GLY A CA 1 -ATOM 1117 C C . GLY A 1 147 ? 95.122 43.841 36.121 1.00 21.04 ? ? ? ? ? ? 147 GLY A C 1 -ATOM 1118 O O . GLY A 1 147 ? 96.034 44.238 36.848 1.00 21.53 ? ? ? ? ? ? 147 GLY A O 1 -ATOM 1119 N N . LEU A 1 148 ? 94.525 42.663 36.272 1.00 22.41 ? ? ? ? ? ? 148 LEU A N 1 -ATOM 1120 C CA . LEU A 1 148 ? 94.863 41.754 37.362 1.00 22.87 ? ? ? ? ? ? 148 LEU A CA 1 -ATOM 1121 C C . LEU A 1 148 ? 96.258 41.202 37.231 1.00 22.47 ? ? ? ? ? ? 148 LEU A C 1 -ATOM 1122 O O . LEU A 1 148 ? 96.921 40.993 38.233 1.00 25.34 ? ? ? ? ? ? 148 LEU A O 1 -ATOM 1123 C CB . LEU A 1 148 ? 93.898 40.570 37.422 1.00 22.80 ? ? ? ? ? ? 148 LEU A CB 1 -ATOM 1124 C CG . LEU A 1 148 ? 92.675 40.723 38.304 1.00 22.83 ? ? ? ? ? ? 148 LEU A CG 1 -ATOM 1125 C CD1 . LEU A 1 148 ? 91.812 39.493 38.210 1.00 21.23 ? ? ? ? ? ? 148 LEU A CD1 1 -ATOM 1126 C CD2 . LEU A 1 148 ? 93.162 40.942 39.717 1.00 23.35 ? ? ? ? ? ? 148 LEU A CD2 1 -ATOM 1127 N N . HIS A 1 149 ? 96.710 40.936 36.016 1.00 21.79 ? ? ? ? ? ? 149 HIS A N 1 -ATOM 1128 C CA . HIS A 1 149 ? 98.041 40.384 35.867 1.00 22.67 ? ? ? ? ? ? 149 HIS A CA 1 -ATOM 1129 C C . HIS A 1 149 ? 99.082 41.303 36.451 1.00 23.19 ? ? ? ? ? ? 149 HIS A C 1 -ATOM 1130 O O . HIS A 1 149 ? 100.025 40.841 37.091 1.00 24.15 ? ? ? ? ? ? 149 HIS A O 1 -ATOM 1131 C CB . HIS A 1 149 ? 98.408 40.099 34.425 1.00 23.64 ? ? ? ? ? ? 149 HIS A CB 1 -ATOM 1132 C CG . HIS A 1 149 ? 99.817 39.640 34.277 1.00 25.97 ? ? ? ? ? ? 149 HIS A CG 1 -ATOM 1133 N ND1 . HIS A 1 149 ? 100.268 38.468 34.846 1.00 26.59 ? ? ? ? ? ? 149 HIS A ND1 1 -ATOM 1134 C CD2 . HIS A 1 149 ? 100.911 40.262 33.774 1.00 27.03 ? ? ? ? ? ? 149 HIS A CD2 1 -ATOM 1135 C CE1 . HIS A 1 149 ? 101.582 38.395 34.713 1.00 27.49 ? ? ? ? ? ? 149 HIS A CE1 1 -ATOM 1136 N NE2 . HIS A 1 149 ? 101.996 39.472 34.065 1.00 27.42 ? ? ? ? ? ? 149 HIS A NE2 1 -ATOM 1137 N N . GLN A 1 150 ? 98.927 42.593 36.176 1.00 23.04 ? ? ? ? ? ? 150 GLN A N 1 -ATOM 1138 C CA . GLN A 1 150 ? 99.829 43.622 36.667 1.00 22.87 ? ? ? ? ? ? 150 GLN A CA 1 -ATOM 1139 C C . GLN A 1 150 ? 99.662 43.868 38.151 1.00 23.60 ? ? ? ? ? ? 150 GLN A C 1 -ATOM 1140 O O . GLN A 1 150 ? 100.648 43.862 38.882 1.00 26.58 ? ? ? ? ? ? 150 GLN A O 1 -ATOM 1141 C CB . GLN A 1 150 ? 99.574 44.941 35.943 1.00 23.34 ? ? ? ? ? ? 150 GLN A CB 1 -ATOM 1142 C CG . GLN A 1 150 ? 100.499 45.209 34.775 1.00 24.52 ? ? ? ? ? ? 150 GLN A CG 1 -ATOM 1143 C CD . GLN A 1 150 ? 101.910 45.534 35.211 1.00 24.55 ? ? ? ? ? ? 150 GLN A CD 1 -ATOM 1144 O OE1 . GLN A 1 150 ? 102.126 46.334 36.137 1.00 22.93 ? ? ? ? ? ? 150 GLN A OE1 1 -ATOM 1145 N NE2 . GLN A 1 150 ? 102.888 44.930 34.534 1.00 23.67 ? ? ? ? ? ? 150 GLN A NE2 1 -ATOM 1146 N N . SER A 1 151 ? 98.416 44.034 38.599 1.00 23.28 ? ? ? ? ? ? 151 SER A N 1 -ATOM 1147 C CA . SER A 1 151 ? 98.121 44.345 40.000 1.00 22.06 ? ? ? ? ? ? 151 SER A CA 1 -ATOM 1148 C C . SER A 1 151 ? 98.512 43.287 40.992 1.00 22.19 ? ? ? ? ? ? 151 SER A C 1 -ATOM 1149 O O . SER A 1 151 ? 99.144 43.551 42.015 1.00 22.82 ? ? ? ? ? ? 151 SER A O 1 -ATOM 1150 C CB . SER A 1 151 ? 96.618 44.539 40.229 1.00 21.51 ? ? ? ? ? ? 151 SER A CB 1 -ATOM 1151 O OG . SER A 1 151 ? 95.995 45.373 39.293 1.00 20.06 ? ? ? ? ? ? 151 SER A OG 1 -ATOM 1152 N N . VAL A 1 152 ? 98.116 42.072 40.677 1.00 21.46 ? ? ? ? ? ? 152 VAL A N 1 -ATOM 1153 C CA . VAL A 1 152 ? 98.281 40.998 41.602 1.00 20.38 ? ? ? ? ? ? 152 VAL A CA 1 -ATOM 1154 C C . VAL A 1 152 ? 98.991 39.770 41.051 1.00 20.04 ? ? ? ? ? ? 152 VAL A C 1 -ATOM 1155 O O . VAL A 1 152 ? 99.155 38.790 41.762 1.00 19.76 ? ? ? ? ? ? 152 VAL A O 1 -ATOM 1156 C CB . VAL A 1 152 ? 96.864 40.689 42.162 1.00 20.80 ? ? ? ? ? ? 152 VAL A CB 1 -ATOM 1157 C CG1 . VAL A 1 152 ? 96.079 39.767 41.236 1.00 19.97 ? ? ? ? ? ? 152 VAL A CG1 1 -ATOM 1158 C CG2 . VAL A 1 152 ? 96.935 40.199 43.555 1.00 22.94 ? ? ? ? ? ? 152 VAL A CG2 1 -ATOM 1159 N N . GLY A 1 153 ? 99.385 39.804 39.783 1.00 19.03 ? ? ? ? ? ? 153 GLY A N 1 -ATOM 1160 C CA . GLY A 1 153 ? 100.106 38.674 39.231 1.00 20.02 ? ? ? ? ? ? 153 GLY A CA 1 -ATOM 1161 C C . GLY A 1 153 ? 99.333 37.513 38.631 1.00 20.65 ? ? ? ? ? ? 153 GLY A C 1 -ATOM 1162 O O . GLY A 1 153 ? 99.931 36.593 38.076 1.00 19.73 ? ? ? ? ? ? 153 GLY A O 1 -ATOM 1163 N N . ASN A 1 154 ? 98.012 37.514 38.746 1.00 22.28 ? ? ? ? ? ? 154 ASN A N 1 -ATOM 1164 C CA . ASN A 1 154 ? 97.238 36.426 38.162 1.00 22.86 ? ? ? ? ? ? 154 ASN A CA 1 -ATOM 1165 C C . ASN A 1 154 ? 95.848 36.905 37.793 1.00 23.34 ? ? ? ? ? ? 154 ASN A C 1 -ATOM 1166 O O . ASN A 1 154 ? 95.183 37.585 38.577 1.00 24.88 ? ? ? ? ? ? 154 ASN A O 1 -ATOM 1167 C CB . ASN A 1 154 ? 97.161 35.239 39.104 1.00 23.90 ? ? ? ? ? ? 154 ASN A CB 1 -ATOM 1168 C CG . ASN A 1 154 ? 96.780 33.984 38.383 1.00 25.83 ? ? ? ? ? ? 154 ASN A CG 1 -ATOM 1169 O OD1 . ASN A 1 154 ? 95.951 34.026 37.479 1.00 29.67 ? ? ? ? ? ? 154 ASN A OD1 1 -ATOM 1170 N ND2 . ASN A 1 154 ? 97.408 32.864 38.729 1.00 26.12 ? ? ? ? ? ? 154 ASN A ND2 1 -ATOM 1171 N N . GLY A 1 155 ? 95.403 36.547 36.599 1.00 23.46 ? ? ? ? ? ? 155 GLY A N 1 -ATOM 1172 C CA . GLY A 1 155 ? 94.100 37.000 36.142 1.00 24.49 ? ? ? ? ? ? 155 GLY A CA 1 -ATOM 1173 C C . GLY A 1 155 ? 92.848 36.206 36.493 1.00 24.54 ? ? ? ? ? ? 155 GLY A C 1 -ATOM 1174 O O . GLY A 1 155 ? 91.752 36.630 36.123 1.00 26.97 ? ? ? ? ? ? 155 GLY A O 1 -ATOM 1175 N N . ALA A 1 156 ? 92.986 35.059 37.156 1.00 22.80 ? ? ? ? ? ? 156 ALA A N 1 -ATOM 1176 C CA . ALA A 1 156 ? 91.830 34.234 37.528 1.00 20.07 ? ? ? ? ? ? 156 ALA A CA 1 -ATOM 1177 C C . ALA A 1 156 ? 91.138 34.758 38.766 1.00 19.13 ? ? ? ? ? ? 156 ALA A C 1 -ATOM 1178 O O . ALA A 1 156 ? 91.638 35.690 39.411 1.00 20.17 ? ? ? ? ? ? 156 ALA A O 1 -ATOM 1179 C CB . ALA A 1 156 ? 92.273 32.832 37.787 1.00 20.97 ? ? ? ? ? ? 156 ALA A CB 1 -ATOM 1180 N N . MET A 1 157 ? 89.986 34.177 39.093 1.00 16.42 ? ? ? ? ? ? 157 MET A N 1 -ATOM 1181 C CA . MET A 1 157 ? 89.261 34.552 40.306 1.00 14.55 ? ? ? ? ? ? 157 MET A CA 1 -ATOM 1182 C C . MET A 1 157 ? 90.279 34.283 41.401 1.00 13.29 ? ? ? ? ? ? 157 MET A C 1 -ATOM 1183 O O . MET A 1 157 ? 90.885 33.214 41.422 1.00 14.02 ? ? ? ? ? ? 157 MET A O 1 -ATOM 1184 C CB . MET A 1 157 ? 88.037 33.637 40.544 1.00 15.67 ? ? ? ? ? ? 157 MET A CB 1 -ATOM 1185 C CG . MET A 1 157 ? 86.776 33.959 39.718 1.00 16.37 ? ? ? ? ? ? 157 MET A CG 1 -ATOM 1186 S SD . MET A 1 157 ? 85.300 33.026 40.172 1.00 15.12 ? ? ? ? ? ? 157 MET A SD 1 -ATOM 1187 C CE . MET A 1 157 ? 84.960 33.671 41.769 1.00 10.86 ? ? ? ? ? ? 157 MET A CE 1 -ATOM 1188 N N . SER A 1 158 ? 90.499 35.233 42.294 1.00 11.57 ? ? ? ? ? ? 158 SER A N 1 -ATOM 1189 C CA . SER A 1 158 ? 91.483 35.009 43.330 1.00 11.40 ? ? ? ? ? ? 158 SER A CA 1 -ATOM 1190 C C . SER A 1 158 ? 91.032 33.916 44.248 1.00 12.35 ? ? ? ? ? ? 158 SER A C 1 -ATOM 1191 O O . SER A 1 158 ? 91.826 33.087 44.683 1.00 13.08 ? ? ? ? ? ? 158 SER A O 1 -ATOM 1192 C CB . SER A 1 158 ? 91.731 36.277 44.130 1.00 11.66 ? ? ? ? ? ? 158 SER A CB 1 -ATOM 1193 O OG . SER A 1 158 ? 90.548 36.730 44.733 1.00 12.47 ? ? ? ? ? ? 158 SER A OG 1 -ATOM 1194 N N . ASN A 1 159 ? 89.737 33.910 44.526 1.00 13.43 ? ? ? ? ? ? 159 ASN A N 1 -ATOM 1195 C CA . ASN A 1 159 ? 89.141 32.938 45.421 1.00 13.39 ? ? ? ? ? ? 159 ASN A CA 1 -ATOM 1196 C C . ASN A 1 159 ? 88.108 32.078 44.681 1.00 14.17 ? ? ? ? ? ? 159 ASN A C 1 -ATOM 1197 O O . ASN A 1 159 ? 87.736 32.359 43.538 1.00 14.01 ? ? ? ? ? ? 159 ASN A O 1 -ATOM 1198 C CB . ASN A 1 159 ? 88.535 33.671 46.623 1.00 14.14 ? ? ? ? ? ? 159 ASN A CB 1 -ATOM 1199 C CG . ASN A 1 159 ? 89.584 34.449 47.447 1.00 16.01 ? ? ? ? ? ? 159 ASN A CG 1 -ATOM 1200 O OD1 . ASN A 1 159 ? 90.433 35.168 46.908 1.00 16.94 ? ? ? ? ? ? 159 ASN A OD1 1 -ATOM 1201 N ND2 . ASN A 1 159 ? 89.516 34.306 48.765 1.00 17.12 ? ? ? ? ? ? 159 ASN A ND2 1 -ATOM 1202 N N . ALA A 1 160 ? 87.626 31.036 45.342 1.00 15.61 ? ? ? ? ? ? 160 ALA A N 1 -ATOM 1203 C CA . ALA A 1 160 ? 86.689 30.110 44.725 1.00 16.24 ? ? ? ? ? ? 160 ALA A CA 1 -ATOM 1204 C C . ALA A 1 160 ? 85.206 30.457 44.787 1.00 16.82 ? ? ? ? ? ? 160 ALA A C 1 -ATOM 1205 O O . ALA A 1 160 ? 84.766 31.188 45.681 1.00 16.61 ? ? ? ? ? ? 160 ALA A O 1 -ATOM 1206 C CB . ALA A 1 160 ? 86.919 28.732 45.307 1.00 17.13 ? ? ? ? ? ? 160 ALA A CB 1 -ATOM 1207 N N . ILE A 1 161 ? 84.445 29.879 43.848 1.00 16.79 ? ? ? ? ? ? 161 ILE A N 1 -ATOM 1208 C CA . ILE A 1 161 ? 82.980 30.024 43.749 1.00 16.09 ? ? ? ? ? ? 161 ILE A CA 1 -ATOM 1209 C C . ILE A 1 161 ? 82.396 29.519 45.063 1.00 17.02 ? ? ? ? ? ? 161 ILE A C 1 -ATOM 1210 O O . ILE A 1 161 ? 81.464 30.092 45.605 1.00 19.52 ? ? ? ? ? ? 161 ILE A O 1 -ATOM 1211 C CB . ILE A 1 161 ? 82.387 29.105 42.614 1.00 15.67 ? ? ? ? ? ? 161 ILE A CB 1 -ATOM 1212 C CG1 . ILE A 1 161 ? 82.706 29.659 41.224 1.00 14.07 ? ? ? ? ? ? 161 ILE A CG1 1 -ATOM 1213 C CG2 . ILE A 1 161 ? 80.889 28.885 42.788 1.00 13.74 ? ? ? ? ? ? 161 ILE A CG2 1 -ATOM 1214 C CD1 . ILE A 1 161 ? 82.076 28.855 40.126 1.00 9.22 ? ? ? ? ? ? 161 ILE A CD1 1 -ATOM 1215 N N . ASN A 1 162 ? 82.940 28.423 45.567 1.00 18.05 ? ? ? ? ? ? 162 ASN A N 1 -ATOM 1216 C CA . ASN A 1 162 ? 82.459 27.854 46.809 1.00 18.49 ? ? ? ? ? ? 162 ASN A CA 1 -ATOM 1217 C C . ASN A 1 162 ? 82.949 28.570 48.056 1.00 19.18 ? ? ? ? ? ? 162 ASN A C 1 -ATOM 1218 O O . ASN A 1 162 ? 82.641 28.160 49.164 1.00 21.20 ? ? ? ? ? ? 162 ASN A O 1 -ATOM 1219 C CB . ASN A 1 162 ? 82.790 26.372 46.881 1.00 18.29 ? ? ? ? ? ? 162 ASN A CB 1 -ATOM 1220 C CG . ASN A 1 162 ? 81.910 25.534 45.961 1.00 21.29 ? ? ? ? ? ? 162 ASN A CG 1 -ATOM 1221 O OD1 . ASN A 1 162 ? 82.010 25.602 44.729 1.00 21.76 ? ? ? ? ? ? 162 ASN A OD1 1 -ATOM 1222 N ND2 . ASN A 1 162 ? 81.060 24.715 46.559 1.00 23.79 ? ? ? ? ? ? 162 ASN A ND2 1 -ATOM 1223 N N . GLU A 1 163 ? 83.680 29.665 47.894 1.00 19.52 ? ? ? ? ? ? 163 GLU A N 1 -ATOM 1224 C CA . GLU A 1 163 ? 84.178 30.420 49.054 1.00 18.08 ? ? ? ? ? ? 163 GLU A CA 1 -ATOM 1225 C C . GLU A 1 163 ? 83.249 31.592 49.384 1.00 17.15 ? ? ? ? ? ? 163 GLU A C 1 -ATOM 1226 O O . GLU A 1 163 ? 83.270 32.129 50.504 1.00 15.99 ? ? ? ? ? ? 163 GLU A O 1 -ATOM 1227 C CB . GLU A 1 163 ? 85.565 30.971 48.762 1.00 17.26 ? ? ? ? ? ? 163 GLU A CB 1 -ATOM 1228 C CG . GLU A 1 163 ? 86.696 30.253 49.405 1.00 16.69 ? ? ? ? ? ? 163 GLU A CG 1 -ATOM 1229 C CD . GLU A 1 163 ? 88.018 30.740 48.865 1.00 17.62 ? ? ? ? ? ? 163 GLU A CD 1 -ATOM 1230 O OE1 . GLU A 1 163 ? 88.528 31.769 49.362 1.00 15.80 ? ? ? ? ? ? 163 GLU A OE1 1 -ATOM 1231 O OE2 . GLU A 1 163 ? 88.528 30.112 47.914 1.00 18.87 ? ? ? ? ? ? 163 GLU A OE2 1 -ATOM 1232 N N . ILE A 1 164 ? 82.430 31.966 48.403 1.00 15.63 ? ? ? ? ? ? 164 ILE A N 1 -ATOM 1233 C CA . ILE A 1 164 ? 81.519 33.088 48.545 1.00 15.81 ? ? ? ? ? ? 164 ILE A CA 1 -ATOM 1234 C C . ILE A 1 164 ? 80.591 32.974 49.750 1.00 16.42 ? ? ? ? ? ? 164 ILE A C 1 -ATOM 1235 O O . ILE A 1 164 ? 80.408 33.933 50.511 1.00 16.21 ? ? ? ? ? ? 164 ILE A O 1 -ATOM 1236 C CB . ILE A 1 164 ? 80.693 33.285 47.262 1.00 14.18 ? ? ? ? ? ? 164 ILE A CB 1 -ATOM 1237 C CG1 . ILE A 1 164 ? 81.632 33.368 46.061 1.00 13.47 ? ? ? ? ? ? 164 ILE A CG1 1 -ATOM 1238 C CG2 . ILE A 1 164 ? 79.890 34.578 47.355 1.00 14.98 ? ? ? ? ? ? 164 ILE A CG2 1 -ATOM 1239 C CD1 . ILE A 1 164 ? 80.950 33.728 44.757 1.00 14.66 ? ? ? ? ? ? 164 ILE A CD1 1 -ATOM 1240 N N . ASP A 1 165 ? 80.124 31.756 49.979 1.00 17.31 ? ? ? ? ? ? 165 ASP A N 1 -ATOM 1241 C CA . ASP A 1 165 ? 79.190 31.447 51.041 1.00 18.91 ? ? ? ? ? ? 165 ASP A CA 1 -ATOM 1242 C C . ASP A 1 165 ? 79.659 31.816 52.447 1.00 20.15 ? ? ? ? ? ? 165 ASP A C 1 -ATOM 1243 O O . ASP A 1 165 ? 78.933 31.593 53.417 1.00 20.79 ? ? ? ? ? ? 165 ASP A O 1 -ATOM 1244 C CB . ASP A 1 165 ? 78.819 29.961 51.006 1.00 20.55 ? ? ? ? ? ? 165 ASP A CB 1 -ATOM 1245 C CG . ASP A 1 165 ? 78.373 29.482 49.627 1.00 21.90 ? ? ? ? ? ? 165 ASP A CG 1 -ATOM 1246 O OD1 . ASP A 1 165 ? 79.005 29.855 48.614 1.00 22.55 ? ? ? ? ? ? 165 ASP A OD1 1 -ATOM 1247 O OD2 . ASP A 1 165 ? 77.426 28.670 49.563 1.00 22.49 ? ? ? ? ? ? 165 ASP A OD2 1 -ATOM 1248 N N . ASN A 1 166 ? 80.868 32.346 52.579 1.00 20.41 ? ? ? ? ? ? 166 ASN A N 1 -ATOM 1249 C CA . ASN A 1 166 ? 81.356 32.715 53.899 1.00 19.98 ? ? ? ? ? ? 166 ASN A CA 1 -ATOM 1250 C C . ASN A 1 166 ? 82.052 34.076 54.016 1.00 20.67 ? ? ? ? ? ? 166 ASN A C 1 -ATOM 1251 O O . ASN A 1 166 ? 82.791 34.330 54.976 1.00 20.76 ? ? ? ? ? ? 166 ASN A O 1 -ATOM 1252 C CB . ASN A 1 166 ? 82.209 31.604 54.458 1.00 20.78 ? ? ? ? ? ? 166 ASN A CB 1 -ATOM 1253 C CG . ASN A 1 166 ? 81.389 30.396 54.824 1.00 24.99 ? ? ? ? ? ? 166 ASN A CG 1 -ATOM 1254 O OD1 . ASN A 1 166 ? 80.870 30.307 55.937 1.00 28.45 ? ? ? ? ? ? 166 ASN A OD1 1 -ATOM 1255 N ND2 . ASN A 1 166 ? 81.223 29.471 53.878 1.00 25.03 ? ? ? ? ? ? 166 ASN A ND2 1 -ATOM 1256 N N . THR A 1 167 ? 81.841 34.939 53.023 1.00 19.70 ? ? ? ? ? ? 167 THR A N 1 -ATOM 1257 C CA . THR A 1 167 ? 82.395 36.279 53.066 1.00 18.75 ? ? ? ? ? ? 167 THR A CA 1 -ATOM 1258 C C . THR A 1 167 ? 81.508 37.051 54.021 1.00 18.28 ? ? ? ? ? ? 167 THR A C 1 -ATOM 1259 O O . THR A 1 167 ? 80.423 36.601 54.385 1.00 18.36 ? ? ? ? ? ? 167 THR A O 1 -ATOM 1260 C CB . THR A 1 167 ? 82.269 36.990 51.737 1.00 19.01 ? ? ? ? ? ? 167 THR A CB 1 -ATOM 1261 O OG1 . THR A 1 167 ? 80.959 36.773 51.199 1.00 20.27 ? ? ? ? ? ? 167 THR A OG1 1 -ATOM 1262 C CG2 . THR A 1 167 ? 83.294 36.503 50.783 1.00 20.41 ? ? ? ? ? ? 167 THR A CG2 1 -ATOM 1263 N N . ASP A 1 168 ? 81.968 38.212 54.442 1.00 17.94 ? ? ? ? ? ? 168 ASP A N 1 -ATOM 1264 C CA . ASP A 1 168 ? 81.164 39.019 55.321 1.00 16.86 ? ? ? ? ? ? 168 ASP A CA 1 -ATOM 1265 C C . ASP A 1 168 ? 80.475 40.099 54.499 1.00 15.75 ? ? ? ? ? ? 168 ASP A C 1 -ATOM 1266 O O . ASP A 1 168 ? 79.573 40.791 54.971 1.00 17.13 ? ? ? ? ? ? 168 ASP A O 1 -ATOM 1267 C CB . ASP A 1 168 ? 82.039 39.586 56.406 1.00 18.22 ? ? ? ? ? ? 168 ASP A CB 1 -ATOM 1268 C CG . ASP A 1 168 ? 82.594 38.505 57.295 1.00 21.42 ? ? ? ? ? ? 168 ASP A CG 1 -ATOM 1269 O OD1 . ASP A 1 168 ? 81.790 37.933 58.065 1.00 22.88 ? ? ? ? ? ? 168 ASP A OD1 1 -ATOM 1270 O OD2 . ASP A 1 168 ? 83.812 38.207 57.208 1.00 22.60 ? ? ? ? ? ? 168 ASP A OD2 1 -ATOM 1271 N N . LEU A 1 169 ? 80.859 40.193 53.241 1.00 12.97 ? ? ? ? ? ? 169 LEU A N 1 -ATOM 1272 C CA . LEU A 1 169 ? 80.273 41.173 52.368 1.00 13.41 ? ? ? ? ? ? 169 LEU A CA 1 -ATOM 1273 C C . LEU A 1 169 ? 80.600 40.780 50.921 1.00 14.12 ? ? ? ? ? ? 169 LEU A C 1 -ATOM 1274 O O . LEU A 1 169 ? 81.742 40.441 50.578 1.00 13.60 ? ? ? ? ? ? 169 LEU A O 1 -ATOM 1275 C CB . LEU A 1 169 ? 80.790 42.577 52.734 1.00 12.10 ? ? ? ? ? ? 169 LEU A CB 1 -ATOM 1276 C CG . LEU A 1 169 ? 80.156 43.848 52.160 1.00 10.55 ? ? ? ? ? ? 169 LEU A CG 1 -ATOM 1277 C CD1 . LEU A 1 169 ? 80.418 45.009 53.080 1.00 10.55 ? ? ? ? ? ? 169 LEU A CD1 1 -ATOM 1278 C CD2 . LEU A 1 169 ? 80.719 44.158 50.793 1.00 10.51 ? ? ? ? ? ? 169 LEU A CD2 1 -ATOM 1279 N N . VAL A 1 170 ? 79.564 40.781 50.096 1.00 13.61 ? ? ? ? ? ? 170 VAL A N 1 -ATOM 1280 C CA . VAL A 1 170 ? 79.695 40.425 48.710 1.00 13.50 ? ? ? ? ? ? 170 VAL A CA 1 -ATOM 1281 C C . VAL A 1 170 ? 79.552 41.676 47.891 1.00 12.68 ? ? ? ? ? ? 170 VAL A C 1 -ATOM 1282 O O . VAL A 1 170 ? 78.449 42.104 47.607 1.00 14.03 ? ? ? ? ? ? 170 VAL A O 1 -ATOM 1283 C CB . VAL A 1 170 ? 78.588 39.432 48.309 1.00 14.60 ? ? ? ? ? ? 170 VAL A CB 1 -ATOM 1284 C CG1 . VAL A 1 170 ? 78.842 38.895 46.891 1.00 13.81 ? ? ? ? ? ? 170 VAL A CG1 1 -ATOM 1285 C CG2 . VAL A 1 170 ? 78.495 38.312 49.347 1.00 13.18 ? ? ? ? ? ? 170 VAL A CG2 1 -ATOM 1286 N N . PHE A 1 171 ? 80.670 42.279 47.535 1.00 14.00 ? ? ? ? ? ? 171 PHE A N 1 -ATOM 1287 C CA . PHE A 1 171 ? 80.662 43.496 46.731 1.00 14.84 ? ? ? ? ? ? 171 PHE A CA 1 -ATOM 1288 C C . PHE A 1 171 ? 80.434 43.151 45.238 1.00 14.80 ? ? ? ? ? ? 171 PHE A C 1 -ATOM 1289 O O . PHE A 1 171 ? 81.393 42.790 44.526 1.00 14.03 ? ? ? ? ? ? 171 PHE A O 1 -ATOM 1290 C CB . PHE A 1 171 ? 82.003 44.210 46.921 1.00 16.51 ? ? ? ? ? ? 171 PHE A CB 1 -ATOM 1291 C CG . PHE A 1 171 ? 82.018 45.632 46.433 1.00 17.89 ? ? ? ? ? ? 171 PHE A CG 1 -ATOM 1292 C CD1 . PHE A 1 171 ? 81.055 46.528 46.843 1.00 17.77 ? ? ? ? ? ? 171 PHE A CD1 1 -ATOM 1293 C CD2 . PHE A 1 171 ? 83.023 46.077 45.597 1.00 19.79 ? ? ? ? ? ? 171 PHE A CD2 1 -ATOM 1294 C CE1 . PHE A 1 171 ? 81.093 47.837 46.435 1.00 20.06 ? ? ? ? ? ? 171 PHE A CE1 1 -ATOM 1295 C CE2 . PHE A 1 171 ? 83.072 47.402 45.176 1.00 21.88 ? ? ? ? ? ? 171 PHE A CE2 1 -ATOM 1296 C CZ . PHE A 1 171 ? 82.108 48.281 45.594 1.00 21.52 ? ? ? ? ? ? 171 PHE A CZ 1 -ATOM 1297 N N . VAL A 1 172 ? 79.176 43.193 44.785 1.00 13.06 ? ? ? ? ? ? 172 VAL A N 1 -ATOM 1298 C CA . VAL A 1 172 ? 78.860 42.887 43.385 1.00 12.64 ? ? ? ? ? ? 172 VAL A CA 1 -ATOM 1299 C C . VAL A 1 172 ? 79.012 44.189 42.605 1.00 13.27 ? ? ? ? ? ? 172 VAL A C 1 -ATOM 1300 O O . VAL A 1 172 ? 78.394 45.198 42.961 1.00 13.80 ? ? ? ? ? ? 172 VAL A O 1 -ATOM 1301 C CB . VAL A 1 172 ? 77.418 42.317 43.227 1.00 12.01 ? ? ? ? ? ? 172 VAL A CB 1 -ATOM 1302 C CG1 . VAL A 1 172 ? 77.162 41.853 41.792 1.00 10.18 ? ? ? ? ? ? 172 VAL A CG1 1 -ATOM 1303 C CG2 . VAL A 1 172 ? 77.204 41.174 44.199 1.00 9.82 ? ? ? ? ? ? 172 VAL A CG2 1 -ATOM 1304 N N . PHE A 1 173 ? 79.843 44.187 41.562 1.00 13.66 ? ? ? ? ? ? 173 PHE A N 1 -ATOM 1305 C CA . PHE A 1 173 ? 80.089 45.405 40.787 1.00 14.27 ? ? ? ? ? ? 173 PHE A CA 1 -ATOM 1306 C C . PHE A 1 173 ? 79.975 45.192 39.280 1.00 15.18 ? ? ? ? ? ? 173 PHE A C 1 -ATOM 1307 O O . PHE A 1 173 ? 80.768 44.442 38.692 1.00 15.81 ? ? ? ? ? ? 173 PHE A O 1 -ATOM 1308 C CB . PHE A 1 173 ? 81.487 45.938 41.123 1.00 14.97 ? ? ? ? ? ? 173 PHE A CB 1 -ATOM 1309 C CG . PHE A 1 173 ? 81.740 47.334 40.646 1.00 15.77 ? ? ? ? ? ? 173 PHE A CG 1 -ATOM 1310 C CD1 . PHE A 1 173 ? 81.990 47.591 39.312 1.00 16.36 ? ? ? ? ? ? 173 PHE A CD1 1 -ATOM 1311 C CD2 . PHE A 1 173 ? 81.718 48.399 41.538 1.00 16.65 ? ? ? ? ? ? 173 PHE A CD2 1 -ATOM 1312 C CE1 . PHE A 1 173 ? 82.212 48.892 38.865 1.00 17.58 ? ? ? ? ? ? 173 PHE A CE1 1 -ATOM 1313 C CE2 . PHE A 1 173 ? 81.941 49.706 41.099 1.00 17.51 ? ? ? ? ? ? 173 PHE A CE2 1 -ATOM 1314 C CZ . PHE A 1 173 ? 82.187 49.953 39.762 1.00 16.12 ? ? ? ? ? ? 173 PHE A CZ 1 -ATOM 1315 N N . GLY A 1 174 ? 79.010 45.873 38.655 1.00 14.96 ? ? ? ? ? ? 174 GLY A N 1 -ATOM 1316 C CA . GLY A 1 174 ? 78.805 45.757 37.217 1.00 13.87 ? ? ? ? ? ? 174 GLY A CA 1 -ATOM 1317 C C . GLY A 1 174 ? 78.828 44.302 36.853 1.00 14.16 ? ? ? ? ? ? 174 GLY A C 1 -ATOM 1318 O O . GLY A 1 174 ? 79.744 43.839 36.189 1.00 14.95 ? ? ? ? ? ? 174 GLY A O 1 -ATOM 1319 N N . TYR A 1 175 ? 77.824 43.575 37.321 1.00 15.36 ? ? ? ? ? ? 175 TYR A N 1 -ATOM 1320 C CA . TYR A 1 175 ? 77.742 42.139 37.114 1.00 16.28 ? ? ? ? ? ? 175 TYR A CA 1 -ATOM 1321 C C . TYR A 1 175 ? 76.407 41.669 37.668 1.00 17.06 ? ? ? ? ? ? 175 TYR A C 1 -ATOM 1322 O O . TYR A 1 175 ? 76.066 42.006 38.807 1.00 17.08 ? ? ? ? ? ? 175 TYR A O 1 -ATOM 1323 C CB . TYR A 1 175 ? 78.878 41.487 37.904 1.00 15.92 ? ? ? ? ? ? 175 TYR A CB 1 -ATOM 1324 C CG . TYR A 1 175 ? 78.834 39.987 38.014 1.00 14.34 ? ? ? ? ? ? 175 TYR A CG 1 -ATOM 1325 C CD1 . TYR A 1 175 ? 78.669 39.183 36.884 1.00 12.78 ? ? ? ? ? ? 175 TYR A CD1 1 -ATOM 1326 C CD2 . TYR A 1 175 ? 79.016 39.375 39.248 1.00 13.26 ? ? ? ? ? ? 175 TYR A CD2 1 -ATOM 1327 C CE1 . TYR A 1 175 ? 78.692 37.798 36.982 1.00 14.47 ? ? ? ? ? ? 175 TYR A CE1 1 -ATOM 1328 C CE2 . TYR A 1 175 ? 79.045 38.005 39.361 1.00 15.67 ? ? ? ? ? ? 175 TYR A CE2 1 -ATOM 1329 C CZ . TYR A 1 175 ? 78.883 37.208 38.230 1.00 15.40 ? ? ? ? ? ? 175 TYR A CZ 1 -ATOM 1330 O OH . TYR A 1 175 ? 78.924 35.828 38.371 1.00 14.48 ? ? ? ? ? ? 175 TYR A OH 1 -ATOM 1331 N N . ASN A 1 176 ? 75.692 40.847 36.892 1.00 17.23 ? ? ? ? ? ? 176 ASN A N 1 -ATOM 1332 C CA . ASN A 1 176 ? 74.386 40.334 37.294 1.00 17.19 ? ? ? ? ? ? 176 ASN A CA 1 -ATOM 1333 C C . ASN A 1 176 ? 74.441 38.815 37.483 1.00 17.93 ? ? ? ? ? ? 176 ASN A C 1 -ATOM 1334 O O . ASN A 1 176 ? 73.940 38.061 36.640 1.00 19.32 ? ? ? ? ? ? 176 ASN A O 1 -ATOM 1335 C CB . ASN A 1 176 ? 73.355 40.704 36.224 1.00 17.22 ? ? ? ? ? ? 176 ASN A CB 1 -ATOM 1336 C CG . ASN A 1 176 ? 71.920 40.553 36.711 1.00 19.54 ? ? ? ? ? ? 176 ASN A CG 1 -ATOM 1337 O OD1 . ASN A 1 176 ? 71.652 40.514 37.916 1.00 21.56 ? ? ? ? ? ? 176 ASN A OD1 1 -ATOM 1338 N ND2 . ASN A 1 176 ? 70.985 40.457 35.773 1.00 21.90 ? ? ? ? ? ? 176 ASN A ND2 1 -ATOM 1339 N N . PRO A 1 177 ? 74.933 38.341 38.650 1.00 18.02 ? ? ? ? ? ? 177 PRO A N 1 -ATOM 1340 C CA . PRO A 1 177 ? 75.015 36.882 38.863 1.00 17.44 ? ? ? ? ? ? 177 PRO A CA 1 -ATOM 1341 C C . PRO A 1 177 ? 73.668 36.170 38.733 1.00 17.97 ? ? ? ? ? ? 177 PRO A C 1 -ATOM 1342 O O . PRO A 1 177 ? 73.599 35.011 38.359 1.00 16.41 ? ? ? ? ? ? 177 PRO A O 1 -ATOM 1343 C CB . PRO A 1 177 ? 75.545 36.749 40.298 1.00 15.69 ? ? ? ? ? ? 177 PRO A CB 1 -ATOM 1344 C CG . PRO A 1 177 ? 75.813 38.137 40.779 1.00 16.28 ? ? ? ? ? ? 177 PRO A CG 1 -ATOM 1345 C CD . PRO A 1 177 ? 75.007 39.068 39.929 1.00 17.20 ? ? ? ? ? ? 177 PRO A CD 1 -ATOM 1346 N N . ALA A 1 178 ? 72.597 36.894 39.018 1.00 20.45 ? ? ? ? ? ? 178 ALA A N 1 -ATOM 1347 C CA . ALA A 1 178 ? 71.251 36.337 38.972 1.00 22.30 ? ? ? ? ? ? 178 ALA A CA 1 -ATOM 1348 C C . ALA A 1 178 ? 70.823 35.828 37.597 1.00 22.85 ? ? ? ? ? ? 178 ALA A C 1 -ATOM 1349 O O . ALA A 1 178 ? 69.990 34.936 37.507 1.00 24.93 ? ? ? ? ? ? 178 ALA A O 1 -ATOM 1350 C CB . ALA A 1 178 ? 70.246 37.373 39.478 1.00 22.00 ? ? ? ? ? ? 178 ALA A CB 1 -ATOM 1351 N N . ASP A 1 179 ? 71.385 36.382 36.531 1.00 21.21 ? ? ? ? ? ? 179 ASP A N 1 -ATOM 1352 C CA . ASP A 1 179 ? 70.991 35.964 35.194 1.00 20.92 ? ? ? ? ? ? 179 ASP A CA 1 -ATOM 1353 C C . ASP A 1 179 ? 72.115 35.338 34.385 1.00 20.42 ? ? ? ? ? ? 179 ASP A C 1 -ATOM 1354 O O . ASP A 1 179 ? 71.890 34.701 33.343 1.00 19.02 ? ? ? ? ? ? 179 ASP A O 1 -ATOM 1355 C CB . ASP A 1 179 ? 70.494 37.187 34.423 1.00 23.01 ? ? ? ? ? ? 179 ASP A CB 1 -ATOM 1356 C CG . ASP A 1 179 ? 69.156 37.688 34.905 1.00 22.14 ? ? ? ? ? ? 179 ASP A CG 1 -ATOM 1357 O OD1 . ASP A 1 179 ? 68.682 37.264 35.974 1.00 23.33 ? ? ? ? ? ? 179 ASP A OD1 1 -ATOM 1358 O OD2 . ASP A 1 179 ? 68.566 38.503 34.187 1.00 22.11 ? ? ? ? ? ? 179 ASP A OD2 1 -ATOM 1359 N N . SER A 1 180 ? 73.329 35.644 34.817 1.00 20.19 ? ? ? ? ? ? 180 SER A N 1 -ATOM 1360 C CA . SER A 1 180 ? 74.546 35.207 34.173 1.00 18.16 ? ? ? ? ? ? 180 SER A CA 1 -ATOM 1361 C C . SER A 1 180 ? 75.104 33.912 34.706 1.00 17.98 ? ? ? ? ? ? 180 SER A C 1 -ATOM 1362 O O . SER A 1 180 ? 75.678 33.135 33.959 1.00 19.47 ? ? ? ? ? ? 180 SER A O 1 -ATOM 1363 C CB . SER A 1 180 ? 75.574 36.298 34.361 1.00 18.04 ? ? ? ? ? ? 180 SER A CB 1 -ATOM 1364 O OG . SER A 1 180 ? 74.932 37.547 34.296 1.00 17.71 ? ? ? ? ? ? 180 SER A OG 1 -ATOM 1365 N N . HIS A 1 181 ? 75.076 33.748 36.019 1.00 17.27 ? ? ? ? ? ? 181 HIS A N 1 -ATOM 1366 C CA . HIS A 1 181 ? 75.576 32.536 36.638 1.00 16.80 ? ? ? ? ? ? 181 HIS A CA 1 -ATOM 1367 C C . HIS A 1 181 ? 74.642 32.281 37.819 1.00 16.97 ? ? ? ? ? ? 181 HIS A C 1 -ATOM 1368 O O . HIS A 1 181 ? 74.934 32.689 38.946 1.00 19.82 ? ? ? ? ? ? 181 HIS A O 1 -ATOM 1369 C CB . HIS A 1 181 ? 77.020 32.711 37.143 1.00 16.16 ? ? ? ? ? ? 181 HIS A CB 1 -ATOM 1370 C CG . HIS A 1 181 ? 77.989 33.221 36.112 1.00 16.43 ? ? ? ? ? ? 181 HIS A CG 1 -ATOM 1371 N ND1 . HIS A 1 181 ? 78.308 34.558 35.984 1.00 14.77 ? ? ? ? ? ? 181 HIS A ND1 1 -ATOM 1372 C CD2 . HIS A 1 181 ? 78.744 32.570 35.197 1.00 16.30 ? ? ? ? ? ? 181 HIS A CD2 1 -ATOM 1373 C CE1 . HIS A 1 181 ? 79.212 34.708 35.035 1.00 14.36 ? ? ? ? ? ? 181 HIS A CE1 1 -ATOM 1374 N NE2 . HIS A 1 181 ? 79.495 33.518 34.542 1.00 15.49 ? ? ? ? ? ? 181 HIS A NE2 1 -ATOM 1375 N N . PRO A 1 182 ? 73.480 31.660 37.570 1.00 14.73 ? ? ? ? ? ? 182 PRO A N 1 -ATOM 1376 C CA . PRO A 1 182 ? 72.479 31.342 38.582 1.00 13.15 ? ? ? ? ? ? 182 PRO A CA 1 -ATOM 1377 C C . PRO A 1 182 ? 72.970 30.558 39.785 1.00 14.13 ? ? ? ? ? ? 182 PRO A C 1 -ATOM 1378 O O . PRO A 1 182 ? 72.460 30.758 40.893 1.00 14.02 ? ? ? ? ? ? 182 PRO A O 1 -ATOM 1379 C CB . PRO A 1 182 ? 71.449 30.577 37.780 1.00 13.12 ? ? ? ? ? ? 182 PRO A CB 1 -ATOM 1380 C CG . PRO A 1 182 ? 71.428 31.358 36.543 1.00 13.74 ? ? ? ? ? ? 182 PRO A CG 1 -ATOM 1381 C CD . PRO A 1 182 ? 72.907 31.466 36.231 1.00 14.28 ? ? ? ? ? ? 182 PRO A CD 1 -ATOM 1382 N N . ILE A 1 183 ? 73.931 29.653 39.566 1.00 13.97 ? ? ? ? ? ? 183 ILE A N 1 -ATOM 1383 C CA . ILE A 1 183 ? 74.515 28.855 40.653 1.00 13.20 ? ? ? ? ? ? 183 ILE A CA 1 -ATOM 1384 C C . ILE A 1 183 ? 75.497 29.720 41.433 1.00 13.54 ? ? ? ? ? ? 183 ILE A C 1 -ATOM 1385 O O . ILE A 1 183 ? 75.721 29.508 42.621 1.00 13.35 ? ? ? ? ? ? 183 ILE A O 1 -ATOM 1386 C CB . ILE A 1 183 ? 75.161 27.523 40.122 1.00 14.27 ? ? ? ? ? ? 183 ILE A CB 1 -ATOM 1387 C CG1 . ILE A 1 183 ? 74.161 26.355 40.257 1.00 13.51 ? ? ? ? ? ? 183 ILE A CG1 1 -ATOM 1388 C CG2 . ILE A 1 183 ? 76.462 27.189 40.840 1.00 11.66 ? ? ? ? ? ? 183 ILE A CG2 1 -ATOM 1389 C CD1 . ILE A 1 183 ? 72.803 26.557 39.541 1.00 11.26 ? ? ? ? ? ? 183 ILE A CD1 1 -ATOM 1390 N N . VAL A 1 184 ? 76.048 30.735 40.774 1.00 14.82 ? ? ? ? ? ? 184 VAL A N 1 -ATOM 1391 C CA . VAL A 1 184 ? 76.955 31.671 41.450 1.00 16.35 ? ? ? ? ? ? 184 VAL A CA 1 -ATOM 1392 C C . VAL A 1 184 ? 76.021 32.626 42.220 1.00 18.27 ? ? ? ? ? ? 184 VAL A C 1 -ATOM 1393 O O . VAL A 1 184 ? 76.341 33.073 43.343 1.00 19.93 ? ? ? ? ? ? 184 VAL A O 1 -ATOM 1394 C CB . VAL A 1 184 ? 77.910 32.439 40.453 1.00 14.59 ? ? ? ? ? ? 184 VAL A CB 1 -ATOM 1395 C CG1 . VAL A 1 184 ? 78.550 33.655 41.124 1.00 13.72 ? ? ? ? ? ? 184 VAL A CG1 1 -ATOM 1396 C CG2 . VAL A 1 184 ? 79.025 31.513 39.979 1.00 11.04 ? ? ? ? ? ? 184 VAL A CG2 1 -ATOM 1397 N N . ALA A 1 185 ? 74.832 32.866 41.665 1.00 17.21 ? ? ? ? ? ? 185 ALA A N 1 -ATOM 1398 C CA . ALA A 1 185 ? 73.870 33.712 42.348 1.00 17.77 ? ? ? ? ? ? 185 ALA A CA 1 -ATOM 1399 C C . ALA A 1 185 ? 73.520 32.965 43.619 1.00 19.04 ? ? ? ? ? ? 185 ALA A C 1 -ATOM 1400 O O . ALA A 1 185 ? 73.654 33.490 44.725 1.00 20.95 ? ? ? ? ? ? 185 ALA A O 1 -ATOM 1401 C CB . ALA A 1 185 ? 72.641 33.905 41.518 1.00 15.98 ? ? ? ? ? ? 185 ALA A CB 1 -ATOM 1402 N N . ASN A 1 186 ? 73.179 31.695 43.476 1.00 19.07 ? ? ? ? ? ? 186 ASN A N 1 -ATOM 1403 C CA . ASN A 1 186 ? 72.814 30.903 44.638 1.00 19.23 ? ? ? ? ? ? 186 ASN A CA 1 -ATOM 1404 C C . ASN A 1 186 ? 73.909 30.784 45.688 1.00 19.89 ? ? ? ? ? ? 186 ASN A C 1 -ATOM 1405 O O . ASN A 1 186 ? 73.653 30.372 46.816 1.00 21.73 ? ? ? ? ? ? 186 ASN A O 1 -ATOM 1406 C CB . ASN A 1 186 ? 72.299 29.542 44.200 1.00 18.21 ? ? ? ? ? ? 186 ASN A CB 1 -ATOM 1407 C CG . ASN A 1 186 ? 71.143 29.654 43.241 1.00 18.83 ? ? ? ? ? ? 186 ASN A CG 1 -ATOM 1408 O OD1 . ASN A 1 186 ? 70.694 30.745 42.913 1.00 19.77 ? ? ? ? ? ? 186 ASN A OD1 1 -ATOM 1409 N ND2 . ASN A 1 186 ? 70.685 28.527 42.741 1.00 22.84 ? ? ? ? ? ? 186 ASN A ND2 1 -ATOM 1410 N N . HIS A 1 187 ? 75.139 31.127 45.334 1.00 19.77 ? ? ? ? ? ? 187 HIS A N 1 -ATOM 1411 C CA . HIS A 1 187 ? 76.203 31.076 46.325 1.00 18.58 ? ? ? ? ? ? 187 HIS A CA 1 -ATOM 1412 C C . HIS A 1 187 ? 76.224 32.430 47.039 1.00 18.64 ? ? ? ? ? ? 187 HIS A C 1 -ATOM 1413 O O . HIS A 1 187 ? 76.552 32.506 48.235 1.00 19.44 ? ? ? ? ? ? 187 HIS A O 1 -ATOM 1414 C CB . HIS A 1 187 ? 77.545 30.754 45.672 1.00 18.20 ? ? ? ? ? ? 187 HIS A CB 1 -ATOM 1415 C CG . HIS A 1 187 ? 77.765 29.295 45.432 1.00 15.45 ? ? ? ? ? ? 187 HIS A CG 1 -ATOM 1416 N ND1 . HIS A 1 187 ? 78.278 28.452 46.391 1.00 14.75 ? ? ? ? ? ? 187 HIS A ND1 1 -ATOM 1417 C CD2 . HIS A 1 187 ? 77.557 28.527 44.337 1.00 17.08 ? ? ? ? ? ? 187 HIS A CD2 1 -ATOM 1418 C CE1 . HIS A 1 187 ? 78.379 27.230 45.899 1.00 15.93 ? ? ? ? ? ? 187 HIS A CE1 1 -ATOM 1419 N NE2 . HIS A 1 187 ? 77.948 27.247 44.652 1.00 14.38 ? ? ? ? ? ? 187 HIS A NE2 1 -ATOM 1420 N N . VAL A 1 188 ? 75.847 33.483 46.302 1.00 18.72 ? ? ? ? ? ? 188 VAL A N 1 -ATOM 1421 C CA . VAL A 1 188 ? 75.755 34.864 46.809 1.00 17.36 ? ? ? ? ? ? 188 VAL A CA 1 -ATOM 1422 C C . VAL A 1 188 ? 74.649 34.905 47.839 1.00 16.86 ? ? ? ? ? ? 188 VAL A C 1 -ATOM 1423 O O . VAL A 1 188 ? 74.853 35.367 48.963 1.00 18.79 ? ? ? ? ? ? 188 VAL A O 1 -ATOM 1424 C CB . VAL A 1 188 ? 75.372 35.867 45.670 1.00 18.08 ? ? ? ? ? ? 188 VAL A CB 1 -ATOM 1425 C CG1 . VAL A 1 188 ? 74.762 37.137 46.236 1.00 17.46 ? ? ? ? ? ? 188 VAL A CG1 1 -ATOM 1426 C CG2 . VAL A 1 188 ? 76.590 36.192 44.795 1.00 18.75 ? ? ? ? ? ? 188 VAL A CG2 1 -ATOM 1427 N N . ILE A 1 189 ? 73.473 34.418 47.449 1.00 16.18 ? ? ? ? ? ? 189 ILE A N 1 -ATOM 1428 C CA . ILE A 1 189 ? 72.293 34.379 48.323 1.00 15.80 ? ? ? ? ? ? 189 ILE A CA 1 -ATOM 1429 C C . ILE A 1 189 ? 72.612 33.636 49.631 1.00 17.36 ? ? ? ? ? ? 189 ILE A C 1 -ATOM 1430 O O . ILE A 1 189 ? 72.177 34.044 50.719 1.00 16.67 ? ? ? ? ? ? 189 ILE A O 1 -ATOM 1431 C CB . ILE A 1 189 ? 71.097 33.726 47.562 1.00 14.63 ? ? ? ? ? ? 189 ILE A CB 1 -ATOM 1432 C CG1 . ILE A 1 189 ? 70.449 34.743 46.637 1.00 10.03 ? ? ? ? ? ? 189 ILE A CG1 1 -ATOM 1433 C CG2 . ILE A 1 189 ? 70.062 33.124 48.501 1.00 12.46 ? ? ? ? ? ? 189 ILE A CG2 1 -ATOM 1434 C CD1 . ILE A 1 189 ? 69.585 34.093 45.639 1.00 7.93 ? ? ? ? ? ? 189 ILE A CD1 1 -ATOM 1435 N N . ASN A 1 190 ? 73.406 32.570 49.506 1.00 19.07 ? ? ? ? ? ? 190 ASN A N 1 -ATOM 1436 C CA . ASN A 1 190 ? 73.840 31.749 50.628 1.00 20.16 ? ? ? ? ? ? 190 ASN A CA 1 -ATOM 1437 C C . ASN A 1 190 ? 74.566 32.606 51.623 1.00 21.21 ? ? ? ? ? ? 190 ASN A C 1 -ATOM 1438 O O . ASN A 1 190 ? 74.257 32.545 52.807 1.00 20.96 ? ? ? ? ? ? 190 ASN A O 1 -ATOM 1439 C CB . ASN A 1 190 ? 74.784 30.664 50.155 1.00 22.34 ? ? ? ? ? ? 190 ASN A CB 1 -ATOM 1440 C CG . ASN A 1 190 ? 74.277 29.294 50.470 1.00 25.99 ? ? ? ? ? ? 190 ASN A CG 1 -ATOM 1441 O OD1 . ASN A 1 190 ? 74.539 28.336 49.737 1.00 28.09 ? ? ? ? ? ? 190 ASN A OD1 1 -ATOM 1442 N ND2 . ASN A 1 190 ? 73.539 29.174 51.570 1.00 27.58 ? ? ? ? ? ? 190 ASN A ND2 1 -ATOM 1443 N N . ALA A 1 191 ? 75.554 33.372 51.141 1.00 22.47 ? ? ? ? ? ? 191 ALA A N 1 -ATOM 1444 C CA . ALA A 1 191 ? 76.336 34.300 51.975 1.00 24.09 ? ? ? ? ? ? 191 ALA A CA 1 -ATOM 1445 C C . ALA A 1 191 ? 75.375 35.216 52.720 1.00 25.24 ? ? ? ? ? ? 191 ALA A C 1 -ATOM 1446 O O . ALA A 1 191 ? 75.469 35.349 53.937 1.00 25.95 ? ? ? ? ? ? 191 ALA A O 1 -ATOM 1447 C CB . ALA A 1 191 ? 77.303 35.151 51.117 1.00 23.33 ? ? ? ? ? ? 191 ALA A CB 1 -ATOM 1448 N N . LYS A 1 192 ? 74.447 35.840 51.994 1.00 26.39 ? ? ? ? ? ? 192 LYS A N 1 -ATOM 1449 C CA . LYS A 1 192 ? 73.457 36.714 52.622 1.00 28.53 ? ? ? ? ? ? 192 LYS A CA 1 -ATOM 1450 C C . LYS A 1 192 ? 72.723 35.957 53.728 1.00 29.54 ? ? ? ? ? ? 192 LYS A C 1 -ATOM 1451 O O . LYS A 1 192 ? 72.587 36.453 54.852 1.00 28.63 ? ? ? ? ? ? 192 LYS A O 1 -ATOM 1452 C CB . LYS A 1 192 ? 72.467 37.223 51.576 1.00 29.65 ? ? ? ? ? ? 192 LYS A CB 1 -ATOM 1453 C CG . LYS A 1 192 ? 71.207 37.889 52.131 1.00 33.52 ? ? ? ? ? ? 192 LYS A CG 1 -ATOM 1454 C CD . LYS A 1 192 ? 71.483 38.910 53.235 1.00 35.98 ? ? ? ? ? ? 192 LYS A CD 1 -ATOM 1455 C CE . LYS A 1 192 ? 72.201 40.154 52.730 1.00 36.84 ? ? ? ? ? ? 192 LYS A CE 1 -ATOM 1456 N NZ . LYS A 1 192 ? 72.568 41.027 53.886 1.00 36.13 ? ? ? ? ? ? 192 LYS A NZ 1 -ATOM 1457 N N . ARG A 1 193 ? 72.292 34.737 53.406 1.00 31.61 ? ? ? ? ? ? 193 ARG A N 1 -ATOM 1458 C CA . ARG A 1 193 ? 71.584 33.863 54.347 1.00 33.20 ? ? ? ? ? ? 193 ARG A CA 1 -ATOM 1459 C C . ARG A 1 193 ? 72.434 33.687 55.600 1.00 31.72 ? ? ? ? ? ? 193 ARG A C 1 -ATOM 1460 O O . ARG A 1 193 ? 71.942 33.813 56.715 1.00 32.27 ? ? ? ? ? ? 193 ARG A O 1 -ATOM 1461 C CB . ARG A 1 193 ? 71.290 32.507 53.687 1.00 36.18 ? ? ? ? ? ? 193 ARG A CB 1 -ATOM 1462 C CG . ARG A 1 193 ? 70.466 31.540 54.530 1.00 40.53 ? ? ? ? ? ? 193 ARG A CG 1 -ATOM 1463 C CD . ARG A 1 193 ? 69.910 30.366 53.700 1.00 44.73 ? ? ? ? ? ? 193 ARG A CD 1 -ATOM 1464 N NE . ARG A 1 193 ? 69.115 29.442 54.521 1.00 48.09 ? ? ? ? ? ? 193 ARG A NE 1 -ATOM 1465 C CZ . ARG A 1 193 ? 67.807 29.223 54.366 1.00 50.62 ? ? ? ? ? ? 193 ARG A CZ 1 -ATOM 1466 N NH1 . ARG A 1 193 ? 67.117 29.854 53.413 1.00 49.85 ? ? ? ? ? ? 193 ARG A NH1 1 -ATOM 1467 N NH2 . ARG A 1 193 ? 67.177 28.388 55.191 1.00 51.26 ? ? ? ? ? ? 193 ARG A NH2 1 -ATOM 1468 N N . ASN A 1 194 ? 73.728 33.487 55.392 1.00 30.29 ? ? ? ? ? ? 194 ASN A N 1 -ATOM 1469 C CA . ASN A 1 194 ? 74.677 33.327 56.469 1.00 29.71 ? ? ? ? ? ? 194 ASN A CA 1 -ATOM 1470 C C . ASN A 1 194 ? 75.070 34.656 57.101 1.00 30.94 ? ? ? ? ? ? 194 ASN A C 1 -ATOM 1471 O O . ASN A 1 194 ? 76.064 34.732 57.820 1.00 31.57 ? ? ? ? ? ? 194 ASN A O 1 -ATOM 1472 C CB . ASN A 1 194 ? 75.908 32.601 55.962 1.00 29.22 ? ? ? ? ? ? 194 ASN A CB 1 -ATOM 1473 C CG . ASN A 1 194 ? 75.615 31.167 55.605 1.00 29.19 ? ? ? ? ? ? 194 ASN A CG 1 -ATOM 1474 O OD1 . ASN A 1 194 ? 74.649 30.591 56.105 1.00 31.40 ? ? ? ? ? ? 194 ASN A OD1 1 -ATOM 1475 N ND2 . ASN A 1 194 ? 76.440 30.573 54.743 1.00 27.19 ? ? ? ? ? ? 194 ASN A ND2 1 -ATOM 1476 N N . GLY A 1 195 ? 74.320 35.713 56.794 1.00 31.90 ? ? ? ? ? ? 195 GLY A N 1 -ATOM 1477 C CA . GLY A 1 195 ? 74.571 37.012 57.390 1.00 32.51 ? ? ? ? ? ? 195 GLY A CA 1 -ATOM 1478 C C . GLY A 1 195 ? 75.548 37.957 56.727 1.00 34.01 ? ? ? ? ? ? 195 GLY A C 1 -ATOM 1479 O O . GLY A 1 195 ? 75.912 38.986 57.303 1.00 35.65 ? ? ? ? ? ? 195 GLY A O 1 -ATOM 1480 N N . ALA A 1 196 ? 75.993 37.638 55.525 1.00 34.05 ? ? ? ? ? ? 196 ALA A N 1 -ATOM 1481 C CA . ALA A 1 196 ? 76.925 38.529 54.856 1.00 33.35 ? ? ? ? ? ? 196 ALA A CA 1 -ATOM 1482 C C . ALA A 1 196 ? 76.111 39.717 54.386 1.00 33.24 ? ? ? ? ? ? 196 ALA A C 1 -ATOM 1483 O O . ALA A 1 196 ? 74.885 39.625 54.303 1.00 35.03 ? ? ? ? ? ? 196 ALA A O 1 -ATOM 1484 C CB . ALA A 1 196 ? 77.544 37.836 53.663 1.00 32.67 ? ? ? ? ? ? 196 ALA A CB 1 -ATOM 1485 N N . LYS A 1 197 ? 76.769 40.851 54.171 1.00 31.96 ? ? ? ? ? ? 197 LYS A N 1 -ATOM 1486 C CA . LYS A 1 197 ? 76.098 42.026 53.636 1.00 29.98 ? ? ? ? ? ? 197 LYS A CA 1 -ATOM 1487 C C . LYS A 1 197 ? 76.222 41.906 52.097 1.00 28.36 ? ? ? ? ? ? 197 LYS A C 1 -ATOM 1488 O O . LYS A 1 197 ? 76.951 41.059 51.573 1.00 27.63 ? ? ? ? ? ? 197 LYS A O 1 -ATOM 1489 C CB . LYS A 1 197 ? 76.790 43.296 54.117 1.00 32.80 ? ? ? ? ? ? 197 LYS A CB 1 -ATOM 1490 C CG . LYS A 1 197 ? 76.805 43.483 55.624 1.00 36.21 ? ? ? ? ? ? 197 LYS A CG 1 -ATOM 1491 C CD . LYS A 1 197 ? 77.843 44.548 56.030 1.00 40.13 ? ? ? ? ? ? 197 LYS A CD 1 -ATOM 1492 C CE . LYS A 1 197 ? 79.289 43.979 56.065 1.00 41.95 ? ? ? ? ? ? 197 LYS A CE 1 -ATOM 1493 N NZ . LYS A 1 197 ? 80.349 45.040 56.254 1.00 40.91 ? ? ? ? ? ? 197 LYS A NZ 1 -ATOM 1494 N N . ILE A 1 198 ? 75.499 42.737 51.365 1.00 26.26 ? ? ? ? ? ? 198 ILE A N 1 -ATOM 1495 C CA . ILE A 1 198 ? 75.549 42.695 49.911 1.00 22.50 ? ? ? ? ? ? 198 ILE A CA 1 -ATOM 1496 C C . ILE A 1 198 ? 75.396 44.098 49.369 1.00 21.57 ? ? ? ? ? ? 198 ILE A C 1 -ATOM 1497 O O . ILE A 1 198 ? 74.528 44.866 49.831 1.00 21.05 ? ? ? ? ? ? 198 ILE A O 1 -ATOM 1498 C CB . ILE A 1 198 ? 74.439 41.811 49.322 1.00 20.96 ? ? ? ? ? ? 198 ILE A CB 1 -ATOM 1499 C CG1 . ILE A 1 198 ? 74.597 40.372 49.811 1.00 19.85 ? ? ? ? ? ? 198 ILE A CG1 1 -ATOM 1500 C CG2 . ILE A 1 198 ? 74.495 41.856 47.803 1.00 20.09 ? ? ? ? ? ? 198 ILE A CG2 1 -ATOM 1501 C CD1 . ILE A 1 198 ? 73.703 39.392 49.091 1.00 19.96 ? ? ? ? ? ? 198 ILE A CD1 1 -ATOM 1502 N N . ILE A 1 199 ? 76.282 44.442 48.438 1.00 20.26 ? ? ? ? ? ? 199 ILE A N 1 -ATOM 1503 C CA . ILE A 1 199 ? 76.293 45.752 47.788 1.00 19.35 ? ? ? ? ? ? 199 ILE A CA 1 -ATOM 1504 C C . ILE A 1 199 ? 76.338 45.503 46.285 1.00 20.14 ? ? ? ? ? ? 199 ILE A C 1 -ATOM 1505 O O . ILE A 1 199 ? 77.167 44.722 45.786 1.00 19.88 ? ? ? ? ? ? 199 ILE A O 1 -ATOM 1506 C CB . ILE A 1 199 ? 77.542 46.599 48.180 1.00 17.65 ? ? ? ? ? ? 199 ILE A CB 1 -ATOM 1507 C CG1 . ILE A 1 199 ? 77.714 46.657 49.702 1.00 15.09 ? ? ? ? ? ? 199 ILE A CG1 1 -ATOM 1508 C CG2 . ILE A 1 199 ? 77.435 47.998 47.588 1.00 15.96 ? ? ? ? ? ? 199 ILE A CG2 1 -ATOM 1509 C CD1 . ILE A 1 199 ? 78.824 47.568 50.135 1.00 13.75 ? ? ? ? ? ? 199 ILE A CD1 1 -ATOM 1510 N N . VAL A 1 200 ? 75.429 46.146 45.571 1.00 20.78 ? ? ? ? ? ? 200 VAL A N 1 -ATOM 1511 C CA . VAL A 1 200 ? 75.357 45.998 44.127 1.00 22.43 ? ? ? ? ? ? 200 VAL A CA 1 -ATOM 1512 C C . VAL A 1 200 ? 75.557 47.366 43.484 1.00 22.96 ? ? ? ? ? ? 200 VAL A C 1 -ATOM 1513 O O . VAL A 1 200 ? 74.868 48.332 43.832 1.00 23.15 ? ? ? ? ? ? 200 VAL A O 1 -ATOM 1514 C CB . VAL A 1 200 ? 73.997 45.376 43.715 1.00 24.12 ? ? ? ? ? ? 200 VAL A CB 1 -ATOM 1515 C CG1 . VAL A 1 200 ? 73.901 45.232 42.181 1.00 23.97 ? ? ? ? ? ? 200 VAL A CG1 1 -ATOM 1516 C CG2 . VAL A 1 200 ? 73.830 44.003 44.395 1.00 23.26 ? ? ? ? ? ? 200 VAL A CG2 1 -ATOM 1517 N N . CYS A 1 201 ? 76.552 47.467 42.612 1.00 23.54 ? ? ? ? ? ? 201 CYS A N 1 -ATOM 1518 C CA . CYS A 1 201 ? 76.850 48.725 41.935 1.00 25.67 ? ? ? ? ? ? 201 CYS A CA 1 -ATOM 1519 C C . CYS A 1 201 ? 76.551 48.559 40.468 1.00 24.82 ? ? ? ? ? ? 201 CYS A C 1 -ATOM 1520 O O . CYS A 1 201 ? 77.389 48.074 39.707 1.00 25.47 ? ? ? ? ? ? 201 CYS A O 1 -ATOM 1521 C CB . CYS A 1 201 ? 78.313 49.100 42.136 1.00 25.96 ? ? ? ? ? ? 201 CYS A CB 1 -ATOM 1522 S SG . CYS A 1 201 ? 78.755 49.149 43.877 1.00 33.24 ? ? ? ? ? ? 201 CYS A SG 1 -ATOM 1523 N N . ASP A 1 202 ? 75.367 49.005 40.070 1.00 24.47 ? ? ? ? ? ? 202 ASP A N 1 -ATOM 1524 C CA . ASP A 1 202 ? 74.911 48.876 38.695 1.00 23.09 ? ? ? ? ? ? 202 ASP A CA 1 -ATOM 1525 C C . ASP A 1 202 ? 73.863 49.943 38.464 1.00 23.79 ? ? ? ? ? ? 202 ASP A C 1 -ATOM 1526 O O . ASP A 1 202 ? 73.142 50.325 39.391 1.00 24.41 ? ? ? ? ? ? 202 ASP A O 1 -ATOM 1527 C CB . ASP A 1 202 ? 74.235 47.499 38.545 1.00 22.04 ? ? ? ? ? ? 202 ASP A CB 1 -ATOM 1528 C CG . ASP A 1 202 ? 74.001 47.076 37.095 1.00 20.99 ? ? ? ? ? ? 202 ASP A CG 1 -ATOM 1529 O OD1 . ASP A 1 202 ? 73.387 47.816 36.302 1.00 18.91 ? ? ? ? ? ? 202 ASP A OD1 1 -ATOM 1530 O OD2 . ASP A 1 202 ? 74.389 45.941 36.766 1.00 19.16 ? ? ? ? ? ? 202 ASP A OD2 1 -ATOM 1531 N N . PRO A 1 203 ? 73.876 50.557 37.282 1.00 23.62 ? ? ? ? ? ? 203 PRO A N 1 -ATOM 1532 C CA . PRO A 1 203 ? 72.876 51.574 36.970 1.00 24.44 ? ? ? ? ? ? 203 PRO A CA 1 -ATOM 1533 C C . PRO A 1 203 ? 71.454 50.973 37.122 1.00 25.16 ? ? ? ? ? ? 203 PRO A C 1 -ATOM 1534 O O . PRO A 1 203 ? 70.635 51.517 37.878 1.00 26.48 ? ? ? ? ? ? 203 PRO A O 1 -ATOM 1535 C CB . PRO A 1 203 ? 73.200 51.903 35.517 1.00 23.95 ? ? ? ? ? ? 203 PRO A CB 1 -ATOM 1536 C CG . PRO A 1 203 ? 74.676 51.871 35.519 1.00 22.86 ? ? ? ? ? ? 203 PRO A CG 1 -ATOM 1537 C CD . PRO A 1 203 ? 75.039 50.678 36.386 1.00 22.99 ? ? ? ? ? ? 203 PRO A CD 1 -ATOM 1538 N N . ARG A 1 204 ? 71.196 49.834 36.457 1.00 25.20 ? ? ? ? ? ? 204 ARG A N 1 -ATOM 1539 C CA . ARG A 1 204 ? 69.899 49.135 36.503 1.00 25.38 ? ? ? ? ? ? 204 ARG A CA 1 -ATOM 1540 C C . ARG A 1 204 ? 69.588 48.502 37.858 1.00 26.99 ? ? ? ? ? ? 204 ARG A C 1 -ATOM 1541 O O . ARG A 1 204 ? 70.486 48.131 38.623 1.00 26.31 ? ? ? ? ? ? 204 ARG A O 1 -ATOM 1542 C CB . ARG A 1 204 ? 69.836 47.957 35.521 1.00 25.75 ? ? ? ? ? ? 204 ARG A CB 1 -ATOM 1543 C CG . ARG A 1 204 ? 70.206 48.197 34.090 1.00 27.09 ? ? ? ? ? ? 204 ARG A CG 1 -ATOM 1544 C CD . ARG A 1 204 ? 70.885 46.935 33.511 1.00 27.83 ? ? ? ? ? ? 204 ARG A CD 1 -ATOM 1545 N NE . ARG A 1 204 ? 69.961 45.879 33.082 1.00 29.49 ? ? ? ? ? ? 204 ARG A NE 1 -ATOM 1546 C CZ . ARG A 1 204 ? 70.283 44.589 32.937 1.00 28.58 ? ? ? ? ? ? 204 ARG A CZ 1 -ATOM 1547 N NH1 . ARG A 1 204 ? 71.509 44.159 33.195 1.00 29.58 ? ? ? ? ? ? 204 ARG A NH1 1 -ATOM 1548 N NH2 . ARG A 1 204 ? 69.388 43.728 32.471 1.00 27.91 ? ? ? ? ? ? 204 ARG A NH2 1 -ATOM 1549 N N . LYS A 1 205 ? 68.296 48.252 38.070 1.00 29.23 ? ? ? ? ? ? 205 LYS A N 1 -ATOM 1550 C CA . LYS A 1 205 ? 67.790 47.600 39.273 1.00 30.54 ? ? ? ? ? ? 205 LYS A CA 1 -ATOM 1551 C C . LYS A 1 205 ? 67.668 46.126 38.892 1.00 30.81 ? ? ? ? ? ? 205 LYS A C 1 -ATOM 1552 O O . LYS A 1 205 ? 66.579 45.624 38.622 1.00 30.63 ? ? ? ? ? ? 205 LYS A O 1 -ATOM 1553 C CB . LYS A 1 205 ? 66.417 48.154 39.637 1.00 31.73 ? ? ? ? ? ? 205 LYS A CB 1 -ATOM 1554 C CG . LYS A 1 205 ? 66.140 49.513 39.035 1.00 35.48 ? ? ? ? ? ? 205 LYS A CG 1 -ATOM 1555 C CD . LYS A 1 205 ? 64.748 49.991 39.342 1.00 38.37 ? ? ? ? ? ? 205 LYS A CD 1 -ATOM 1556 C CE . LYS A 1 205 ? 64.571 50.318 40.808 1.00 41.83 ? ? ? ? ? ? 205 LYS A CE 1 -ATOM 1557 N NZ . LYS A 1 205 ? 63.136 50.661 41.078 1.00 45.10 ? ? ? ? ? ? 205 LYS A NZ 1 -ATOM 1558 N N . ILE A 1 206 ? 68.816 45.464 38.786 1.00 31.64 ? ? ? ? ? ? 206 ILE A N 1 -ATOM 1559 C CA . ILE A 1 206 ? 68.884 44.049 38.420 1.00 31.54 ? ? ? ? ? ? 206 ILE A CA 1 -ATOM 1560 C C . ILE A 1 206 ? 68.338 43.199 39.568 1.00 32.93 ? ? ? ? ? ? 206 ILE A C 1 -ATOM 1561 O O . ILE A 1 206 ? 68.300 43.654 40.712 1.00 34.15 ? ? ? ? ? ? 206 ILE A O 1 -ATOM 1562 C CB . ILE A 1 206 ? 70.359 43.632 38.127 1.00 30.96 ? ? ? ? ? ? 206 ILE A CB 1 -ATOM 1563 C CG1 . ILE A 1 206 ? 71.263 44.056 39.289 1.00 28.71 ? ? ? ? ? ? 206 ILE A CG1 1 -ATOM 1564 C CG2 . ILE A 1 206 ? 70.840 44.205 36.781 1.00 29.49 ? ? ? ? ? ? 206 ILE A CG2 1 -ATOM 1565 C CD1 . ILE A 1 206 ? 72.721 43.881 39.015 1.00 28.94 ? ? ? ? ? ? 206 ILE A CD1 1 -ATOM 1566 N N . GLU A 1 207 ? 67.966 41.955 39.282 1.00 33.75 ? ? ? ? ? ? 207 GLU A N 1 -ATOM 1567 C CA . GLU A 1 207 ? 67.431 41.062 40.312 1.00 34.43 ? ? ? ? ? ? 207 GLU A CA 1 -ATOM 1568 C C . GLU A 1 207 ? 68.233 41.093 41.598 1.00 33.84 ? ? ? ? ? ? 207 GLU A C 1 -ATOM 1569 O O . GLU A 1 207 ? 67.693 41.295 42.688 1.00 33.75 ? ? ? ? ? ? 207 GLU A O 1 -ATOM 1570 C CB . GLU A 1 207 ? 67.356 39.628 39.786 1.00 36.60 ? ? ? ? ? ? 207 GLU A CB 1 -ATOM 1571 C CG . GLU A 1 207 ? 65.954 39.183 39.379 1.00 39.16 ? ? ? ? ? ? 207 GLU A CG 1 -ATOM 1572 C CD . GLU A 1 207 ? 65.019 39.009 40.571 1.00 40.61 ? ? ? ? ? ? 207 GLU A CD 1 -ATOM 1573 O OE1 . GLU A 1 207 ? 65.238 38.076 41.383 1.00 40.62 ? ? ? ? ? ? 207 GLU A OE1 1 -ATOM 1574 O OE2 . GLU A 1 207 ? 64.058 39.804 40.682 1.00 43.30 ? ? ? ? ? ? 207 GLU A OE2 1 -ATOM 1575 N N . THR A 1 208 ? 69.540 40.962 41.449 1.00 34.89 ? ? ? ? ? ? 208 THR A N 1 -ATOM 1576 C CA . THR A 1 208 ? 70.460 40.953 42.576 1.00 36.12 ? ? ? ? ? ? 208 THR A CA 1 -ATOM 1577 C C . THR A 1 208 ? 70.197 42.083 43.586 1.00 38.01 ? ? ? ? ? ? 208 THR A C 1 -ATOM 1578 O O . THR A 1 208 ? 70.169 41.859 44.804 1.00 39.05 ? ? ? ? ? ? 208 THR A O 1 -ATOM 1579 C CB . THR A 1 208 ? 71.907 41.054 42.067 1.00 34.59 ? ? ? ? ? ? 208 THR A CB 1 -ATOM 1580 O OG1 . THR A 1 208 ? 71.989 40.494 40.750 1.00 33.04 ? ? ? ? ? ? 208 THR A OG1 1 -ATOM 1581 C CG2 . THR A 1 208 ? 72.833 40.287 42.980 1.00 34.93 ? ? ? ? ? ? 208 THR A CG2 1 -ATOM 1582 N N . ALA A 1 209 ? 69.952 43.279 43.065 1.00 38.91 ? ? ? ? ? ? 209 ALA A N 1 -ATOM 1583 C CA . ALA A 1 209 ? 69.710 44.461 43.884 1.00 40.67 ? ? ? ? ? ? 209 ALA A CA 1 -ATOM 1584 C C . ALA A 1 209 ? 68.613 44.343 44.956 1.00 41.86 ? ? ? ? ? ? 209 ALA A C 1 -ATOM 1585 O O . ALA A 1 209 ? 68.659 45.048 45.976 1.00 41.65 ? ? ? ? ? ? 209 ALA A O 1 -ATOM 1586 C CB . ALA A 1 209 ? 69.430 45.666 42.978 1.00 39.83 ? ? ? ? ? ? 209 ALA A CB 1 -ATOM 1587 N N . ARG A 1 210 ? 67.640 43.461 44.744 1.00 42.49 ? ? ? ? ? ? 210 ARG A N 1 -ATOM 1588 C CA . ARG A 1 210 ? 66.557 43.337 45.711 1.00 43.05 ? ? ? ? ? ? 210 ARG A CA 1 -ATOM 1589 C C . ARG A 1 210 ? 67.029 42.834 47.061 1.00 41.81 ? ? ? ? ? ? 210 ARG A C 1 -ATOM 1590 O O . ARG A 1 210 ? 66.524 43.258 48.096 1.00 41.14 ? ? ? ? ? ? 210 ARG A O 1 -ATOM 1591 C CB . ARG A 1 210 ? 65.443 42.433 45.188 1.00 46.32 ? ? ? ? ? ? 210 ARG A CB 1 -ATOM 1592 C CG . ARG A 1 210 ? 64.065 42.799 45.749 1.00 48.65 ? ? ? ? ? ? 210 ARG A CG 1 -ATOM 1593 C CD . ARG A 1 210 ? 63.791 44.265 45.460 1.00 51.19 ? ? ? ? ? ? 210 ARG A CD 1 -ATOM 1594 N NE . ARG A 1 210 ? 62.473 44.713 45.885 1.00 52.70 ? ? ? ? ? ? 210 ARG A NE 1 -ATOM 1595 C CZ . ARG A 1 210 ? 62.121 45.993 45.975 1.00 54.08 ? ? ? ? ? ? 210 ARG A CZ 1 -ATOM 1596 N NH1 . ARG A 1 210 ? 62.990 46.962 45.676 1.00 53.21 ? ? ? ? ? ? 210 ARG A NH1 1 -ATOM 1597 N NH2 . ARG A 1 210 ? 60.887 46.305 46.353 1.00 55.38 ? ? ? ? ? ? 210 ARG A NH2 1 -ATOM 1598 N N . ILE A 1 211 ? 67.994 41.922 47.038 1.00 40.51 ? ? ? ? ? ? 211 ILE A N 1 -ATOM 1599 C CA . ILE A 1 211 ? 68.543 41.346 48.263 1.00 39.62 ? ? ? ? ? ? 211 ILE A CA 1 -ATOM 1600 C C . ILE A 1 211 ? 69.725 42.158 48.802 1.00 38.37 ? ? ? ? ? ? 211 ILE A C 1 -ATOM 1601 O O . ILE A 1 211 ? 70.285 41.854 49.870 1.00 38.51 ? ? ? ? ? ? 211 ILE A O 1 -ATOM 1602 C CB . ILE A 1 211 ? 68.983 39.891 48.027 1.00 39.83 ? ? ? ? ? ? 211 ILE A CB 1 -ATOM 1603 C CG1 . ILE A 1 211 ? 69.949 39.815 46.850 1.00 40.20 ? ? ? ? ? ? 211 ILE A CG1 1 -ATOM 1604 C CG2 . ILE A 1 211 ? 67.769 39.029 47.746 1.00 40.26 ? ? ? ? ? ? 211 ILE A CG2 1 -ATOM 1605 C CD1 . ILE A 1 211 ? 70.472 38.417 46.584 1.00 42.64 ? ? ? ? ? ? 211 ILE A CD1 1 -ATOM 1606 N N . ALA A 1 212 ? 70.064 43.218 48.072 1.00 36.64 ? ? ? ? ? ? 212 ALA A N 1 -ATOM 1607 C CA . ALA A 1 212 ? 71.175 44.092 48.421 1.00 33.35 ? ? ? ? ? ? 212 ALA A CA 1 -ATOM 1608 C C . ALA A 1 212 ? 70.879 45.135 49.482 1.00 31.47 ? ? ? ? ? ? 212 ALA A C 1 -ATOM 1609 O O . ALA A 1 212 ? 69.932 45.921 49.382 1.00 31.46 ? ? ? ? ? ? 212 ALA A O 1 -ATOM 1610 C CB . ALA A 1 212 ? 71.715 44.772 47.169 1.00 32.76 ? ? ? ? ? ? 212 ALA A CB 1 -ATOM 1611 N N . ASP A 1 213 ? 71.746 45.176 50.477 1.00 29.64 ? ? ? ? ? ? 213 ASP A N 1 -ATOM 1612 C CA . ASP A 1 213 ? 71.636 46.148 51.540 1.00 28.18 ? ? ? ? ? ? 213 ASP A CA 1 -ATOM 1613 C C . ASP A 1 213 ? 71.794 47.537 50.925 1.00 27.37 ? ? ? ? ? ? 213 ASP A C 1 -ATOM 1614 O O . ASP A 1 213 ? 71.114 48.475 51.312 1.00 27.51 ? ? ? ? ? ? 213 ASP A O 1 -ATOM 1615 C CB . ASP A 1 213 ? 72.745 45.902 52.532 1.00 28.43 ? ? ? ? ? ? 213 ASP A CB 1 -ATOM 1616 C CG . ASP A 1 213 ? 72.739 44.505 53.027 1.00 28.98 ? ? ? ? ? ? 213 ASP A CG 1 -ATOM 1617 O OD1 . ASP A 1 213 ? 73.024 43.608 52.212 1.00 29.78 ? ? ? ? ? ? 213 ASP A OD1 1 -ATOM 1618 O OD2 . ASP A 1 213 ? 72.409 44.301 54.215 1.00 31.10 ? ? ? ? ? ? 213 ASP A OD2 1 -ATOM 1619 N N . MET A 1 214 ? 72.712 47.664 49.975 1.00 25.43 ? ? ? ? ? ? 214 MET A N 1 -ATOM 1620 C CA . MET A 1 214 ? 72.921 48.927 49.308 1.00 23.97 ? ? ? ? ? ? 214 MET A CA 1 -ATOM 1621 C C . MET A 1 214 ? 72.949 48.779 47.789 1.00 23.87 ? ? ? ? ? ? 214 MET A C 1 -ATOM 1622 O O . MET A 1 214 ? 73.674 47.931 47.261 1.00 25.39 ? ? ? ? ? ? 214 MET A O 1 -ATOM 1623 C CB . MET A 1 214 ? 74.253 49.550 49.757 1.00 23.93 ? ? ? ? ? ? 214 MET A CB 1 -ATOM 1624 C CG . MET A 1 214 ? 74.148 50.596 50.858 1.00 24.11 ? ? ? ? ? ? 214 MET A CG 1 -ATOM 1625 S SD . MET A 1 214 ? 75.689 51.467 51.170 1.00 21.86 ? ? ? ? ? ? 214 MET A SD 1 -ATOM 1626 C CE . MET A 1 214 ? 75.771 52.383 49.640 1.00 24.51 ? ? ? ? ? ? 214 MET A CE 1 -ATOM 1627 N N . HIS A 1 215 ? 72.107 49.520 47.084 1.00 21.96 ? ? ? ? ? ? 215 HIS A N 1 -ATOM 1628 C CA . HIS A 1 215 ? 72.196 49.506 45.632 1.00 22.76 ? ? ? ? ? ? 215 HIS A CA 1 -ATOM 1629 C C . HIS A 1 215 ? 72.783 50.890 45.263 1.00 23.86 ? ? ? ? ? ? 215 HIS A C 1 -ATOM 1630 O O . HIS A 1 215 ? 72.283 51.935 45.695 1.00 24.58 ? ? ? ? ? ? 215 HIS A O 1 -ATOM 1631 C CB . HIS A 1 215 ? 70.846 49.267 44.953 1.00 20.69 ? ? ? ? ? ? 215 HIS A CB 1 -ATOM 1632 C CG . HIS A 1 215 ? 70.895 49.388 43.452 1.00 19.24 ? ? ? ? ? ? 215 HIS A CG 1 -ATOM 1633 N ND1 . HIS A 1 215 ? 69.999 48.738 42.627 1.00 19.11 ? ? ? ? ? ? 215 HIS A ND1 1 -ATOM 1634 C CD2 . HIS A 1 215 ? 71.719 50.083 42.636 1.00 18.28 ? ? ? ? ? ? 215 HIS A CD2 1 -ATOM 1635 C CE1 . HIS A 1 215 ? 70.273 49.027 41.368 1.00 18.50 ? ? ? ? ? ? 215 HIS A CE1 1 -ATOM 1636 N NE2 . HIS A 1 215 ? 71.310 49.840 41.342 1.00 19.62 ? ? ? ? ? ? 215 HIS A NE2 1 -ATOM 1637 N N . ILE A 1 216 ? 73.877 50.881 44.507 1.00 24.76 ? ? ? ? ? ? 216 ILE A N 1 -ATOM 1638 C CA . ILE A 1 216 ? 74.562 52.105 44.102 1.00 24.32 ? ? ? ? ? ? 216 ILE A CA 1 -ATOM 1639 C C . ILE A 1 216 ? 74.422 52.285 42.604 1.00 23.73 ? ? ? ? ? ? 216 ILE A C 1 -ATOM 1640 O O . ILE A 1 216 ? 75.250 51.833 41.821 1.00 21.85 ? ? ? ? ? ? 216 ILE A O 1 -ATOM 1641 C CB . ILE A 1 216 ? 76.055 52.064 44.532 1.00 24.89 ? ? ? ? ? ? 216 ILE A CB 1 -ATOM 1642 C CG1 . ILE A 1 216 ? 76.156 52.157 46.055 1.00 24.78 ? ? ? ? ? ? 216 ILE A CG1 1 -ATOM 1643 C CG2 . ILE A 1 216 ? 76.851 53.188 43.894 1.00 23.84 ? ? ? ? ? ? 216 ILE A CG2 1 -ATOM 1644 C CD1 . ILE A 1 216 ? 77.473 51.624 46.585 1.00 26.99 ? ? ? ? ? ? 216 ILE A CD1 1 -ATOM 1645 N N . ALA A 1 217 ? 73.306 52.890 42.222 1.00 24.80 ? ? ? ? ? ? 217 ALA A N 1 -ATOM 1646 C CA . ALA A 1 217 ? 72.990 53.138 40.821 1.00 25.44 ? ? ? ? ? ? 217 ALA A CA 1 -ATOM 1647 C C . ALA A 1 217 ? 73.862 54.207 40.144 1.00 24.82 ? ? ? ? ? ? 217 ALA A C 1 -ATOM 1648 O O . ALA A 1 217 ? 73.356 55.270 39.756 1.00 24.62 ? ? ? ? ? ? 217 ALA A O 1 -ATOM 1649 C CB . ALA A 1 217 ? 71.506 53.487 40.681 1.00 24.41 ? ? ? ? ? ? 217 ALA A CB 1 -ATOM 1650 N N . LEU A 1 218 ? 75.152 53.906 39.976 1.00 24.27 ? ? ? ? ? ? 218 LEU A N 1 -ATOM 1651 C CA . LEU A 1 218 ? 76.081 54.840 39.331 1.00 24.79 ? ? ? ? ? ? 218 LEU A CA 1 -ATOM 1652 C C . LEU A 1 218 ? 75.724 55.078 37.847 1.00 24.50 ? ? ? ? ? ? 218 LEU A C 1 -ATOM 1653 O O . LEU A 1 218 ? 75.377 54.159 37.108 1.00 24.83 ? ? ? ? ? ? 218 LEU A O 1 -ATOM 1654 C CB . LEU A 1 218 ? 77.540 54.374 39.475 1.00 24.72 ? ? ? ? ? ? 218 LEU A CB 1 -ATOM 1655 C CG . LEU A 1 218 ? 78.088 53.297 38.535 1.00 25.30 ? ? ? ? ? ? 218 LEU A CG 1 -ATOM 1656 C CD1 . LEU A 1 218 ? 79.569 53.053 38.790 1.00 25.59 ? ? ? ? ? ? 218 LEU A CD1 1 -ATOM 1657 C CD2 . LEU A 1 218 ? 77.300 52.020 38.703 1.00 25.45 ? ? ? ? ? ? 218 LEU A CD2 1 -ATOM 1658 N N . LYS A 1 219 ? 75.784 56.328 37.422 1.00 24.67 ? ? ? ? ? ? 219 LYS A N 1 -ATOM 1659 C CA . LYS A 1 219 ? 75.451 56.670 36.065 1.00 23.54 ? ? ? ? ? ? 219 LYS A CA 1 -ATOM 1660 C C . LYS A 1 219 ? 76.344 55.895 35.145 1.00 22.47 ? ? ? ? ? ? 219 LYS A C 1 -ATOM 1661 O O . LYS A 1 219 ? 77.559 55.844 35.322 1.00 23.26 ? ? ? ? ? ? 219 LYS A O 1 -ATOM 1662 C CB . LYS A 1 219 ? 75.654 58.155 35.807 1.00 24.85 ? ? ? ? ? ? 219 LYS A CB 1 -ATOM 1663 C CG . LYS A 1 219 ? 74.735 59.048 36.574 1.00 27.17 ? ? ? ? ? ? 219 LYS A CG 1 -ATOM 1664 C CD . LYS A 1 219 ? 74.990 60.494 36.196 1.00 29.19 ? ? ? ? ? ? 219 LYS A CD 1 -ATOM 1665 C CE . LYS A 1 219 ? 73.820 61.380 36.555 1.00 29.62 ? ? ? ? ? ? 219 LYS A CE 1 -ATOM 1666 N NZ . LYS A 1 219 ? 74.202 62.802 36.464 1.00 30.34 ? ? ? ? ? ? 219 LYS A NZ 1 -ATOM 1667 N N . ASN A 1 220 ? 75.718 55.314 34.140 1.00 20.83 ? ? ? ? ? ? 220 ASN A N 1 -ATOM 1668 C CA . ASN A 1 220 ? 76.398 54.542 33.134 1.00 19.66 ? ? ? ? ? ? 220 ASN A CA 1 -ATOM 1669 C C . ASN A 1 220 ? 77.731 55.202 32.758 1.00 19.42 ? ? ? ? ? ? 220 ASN A C 1 -ATOM 1670 O O . ASN A 1 220 ? 77.796 56.401 32.526 1.00 19.18 ? ? ? ? ? ? 220 ASN A O 1 -ATOM 1671 C CB . ASN A 1 220 ? 75.481 54.391 31.905 1.00 18.55 ? ? ? ? ? ? 220 ASN A CB 1 -ATOM 1672 C CG . ASN A 1 220 ? 74.254 53.509 32.179 1.00 18.84 ? ? ? ? ? ? 220 ASN A CG 1 -ATOM 1673 O OD1 . ASN A 1 220 ? 73.892 52.661 31.371 1.00 19.84 ? ? ? ? ? ? 220 ASN A OD1 1 -ATOM 1674 N ND2 . ASN A 1 220 ? 73.616 53.707 33.318 1.00 17.56 ? ? ? ? ? ? 220 ASN A ND2 1 -ATOM 1675 N N . GLY A 1 221 ? 78.801 54.414 32.822 1.00 19.58 ? ? ? ? ? ? 221 GLY A N 1 -ATOM 1676 C CA . GLY A 1 221 ? 80.125 54.882 32.461 1.00 18.11 ? ? ? ? ? ? 221 GLY A CA 1 -ATOM 1677 C C . GLY A 1 221 ? 80.871 55.760 33.433 1.00 17.22 ? ? ? ? ? ? 221 GLY A C 1 -ATOM 1678 O O . GLY A 1 221 ? 81.820 56.407 33.020 1.00 17.38 ? ? ? ? ? ? 221 GLY A O 1 -ATOM 1679 N N . SER A 1 222 ? 80.496 55.753 34.709 1.00 16.47 ? ? ? ? ? ? 222 SER A N 1 -ATOM 1680 C CA . SER A 1 222 ? 81.153 56.582 35.731 1.00 14.81 ? ? ? ? ? ? 222 SER A CA 1 -ATOM 1681 C C . SER A 1 222 ? 81.909 55.786 36.802 1.00 14.21 ? ? ? ? ? ? 222 SER A C 1 -ATOM 1682 O O . SER A 1 222 ? 82.163 56.304 37.888 1.00 13.28 ? ? ? ? ? ? 222 SER A O 1 -ATOM 1683 C CB . SER A 1 222 ? 80.081 57.408 36.440 1.00 14.83 ? ? ? ? ? ? 222 SER A CB 1 -ATOM 1684 O OG . SER A 1 222 ? 79.205 56.563 37.171 1.00 15.05 ? ? ? ? ? ? 222 SER A OG 1 -ATOM 1685 N N . ASN A 1 223 ? 82.286 54.551 36.479 1.00 15.39 ? ? ? ? ? ? 223 ASN A N 1 -ATOM 1686 C CA . ASN A 1 223 ? 82.941 53.618 37.409 1.00 15.56 ? ? ? ? ? ? 223 ASN A CA 1 -ATOM 1687 C C . ASN A 1 223 ? 84.128 54.157 38.199 1.00 17.26 ? ? ? ? ? ? 223 ASN A C 1 -ATOM 1688 O O . ASN A 1 223 ? 84.139 54.099 39.427 1.00 17.12 ? ? ? ? ? ? 223 ASN A O 1 -ATOM 1689 C CB . ASN A 1 223 ? 83.355 52.318 36.688 1.00 15.74 ? ? ? ? ? ? 223 ASN A CB 1 -ATOM 1690 C CG . ASN A 1 223 ? 82.196 51.645 35.929 1.00 16.80 ? ? ? ? ? ? 223 ASN A CG 1 -ATOM 1691 O OD1 . ASN A 1 223 ? 81.751 50.544 36.285 1.00 13.20 ? ? ? ? ? ? 223 ASN A OD1 1 -ATOM 1692 N ND2 . ASN A 1 223 ? 81.748 52.287 34.832 1.00 17.14 ? ? ? ? ? ? 223 ASN A ND2 1 -ATOM 1693 N N . ILE A 1 224 ? 85.120 54.709 37.508 1.00 18.73 ? ? ? ? ? ? 224 ILE A N 1 -ATOM 1694 C CA . ILE A 1 224 ? 86.305 55.222 38.183 1.00 18.78 ? ? ? ? ? ? 224 ILE A CA 1 -ATOM 1695 C C . ILE A 1 224 ? 85.970 56.401 39.095 1.00 19.45 ? ? ? ? ? ? 224 ILE A C 1 -ATOM 1696 O O . ILE A 1 224 ? 86.621 56.625 40.111 1.00 19.74 ? ? ? ? ? ? 224 ILE A O 1 -ATOM 1697 C CB . ILE A 1 224 ? 87.379 55.637 37.171 1.00 19.25 ? ? ? ? ? ? 224 ILE A CB 1 -ATOM 1698 C CG1 . ILE A 1 224 ? 87.640 54.494 36.175 1.00 19.57 ? ? ? ? ? ? 224 ILE A CG1 1 -ATOM 1699 C CG2 . ILE A 1 224 ? 88.647 56.073 37.911 1.00 19.88 ? ? ? ? ? ? 224 ILE A CG2 1 -ATOM 1700 C CD1 . ILE A 1 224 ? 88.877 53.656 36.436 1.00 19.63 ? ? ? ? ? ? 224 ILE A CD1 1 -ATOM 1701 N N . ALA A 1 225 ? 84.961 57.168 38.711 1.00 19.93 ? ? ? ? ? ? 225 ALA A N 1 -ATOM 1702 C CA . ALA A 1 225 ? 84.551 58.308 39.502 1.00 19.48 ? ? ? ? ? ? 225 ALA A CA 1 -ATOM 1703 C C . ALA A 1 225 ? 84.096 57.749 40.829 1.00 19.40 ? ? ? ? ? ? 225 ALA A C 1 -ATOM 1704 O O . ALA A 1 225 ? 84.587 58.151 41.880 1.00 20.58 ? ? ? ? ? ? 225 ALA A O 1 -ATOM 1705 C CB . ALA A 1 225 ? 83.413 59.057 38.810 1.00 19.45 ? ? ? ? ? ? 225 ALA A CB 1 -ATOM 1706 N N . LEU A 1 226 ? 83.202 56.774 40.780 1.00 18.90 ? ? ? ? ? ? 226 LEU A N 1 -ATOM 1707 C CA . LEU A 1 226 ? 82.708 56.182 42.016 1.00 19.16 ? ? ? ? ? ? 226 LEU A CA 1 -ATOM 1708 C C . LEU A 1 226 ? 83.833 55.506 42.804 1.00 19.28 ? ? ? ? ? ? 226 LEU A C 1 -ATOM 1709 O O . LEU A 1 226 ? 83.928 55.656 44.032 1.00 21.54 ? ? ? ? ? ? 226 LEU A O 1 -ATOM 1710 C CB . LEU A 1 226 ? 81.606 55.152 41.742 1.00 17.51 ? ? ? ? ? ? 226 LEU A CB 1 -ATOM 1711 C CG . LEU A 1 226 ? 81.218 54.467 43.051 1.00 16.63 ? ? ? ? ? ? 226 LEU A CG 1 -ATOM 1712 C CD1 . LEU A 1 226 ? 80.606 55.506 43.942 1.00 14.93 ? ? ? ? ? ? 226 LEU A CD1 1 -ATOM 1713 C CD2 . LEU A 1 226 ? 80.294 53.276 42.844 1.00 17.19 ? ? ? ? ? ? 226 LEU A CD2 1 -ATOM 1714 N N . LEU A 1 227 ? 84.694 54.790 42.093 1.00 16.15 ? ? ? ? ? ? 227 LEU A N 1 -ATOM 1715 C CA . LEU A 1 227 ? 85.765 54.060 42.726 1.00 14.71 ? ? ? ? ? ? 227 LEU A CA 1 -ATOM 1716 C C . LEU A 1 227 ? 86.772 54.908 43.521 1.00 14.58 ? ? ? ? ? ? 227 LEU A C 1 -ATOM 1717 O O . LEU A 1 227 ? 86.994 54.681 44.720 1.00 14.47 ? ? ? ? ? ? 227 LEU A O 1 -ATOM 1718 C CB . LEU A 1 227 ? 86.446 53.194 41.674 1.00 15.05 ? ? ? ? ? ? 227 LEU A CB 1 -ATOM 1719 C CG . LEU A 1 227 ? 85.608 51.972 41.302 1.00 15.50 ? ? ? ? ? ? 227 LEU A CG 1 -ATOM 1720 C CD1 . LEU A 1 227 ? 86.117 51.362 40.009 1.00 17.05 ? ? ? ? ? ? 227 LEU A CD1 1 -ATOM 1721 C CD2 . LEU A 1 227 ? 85.648 50.964 42.450 1.00 13.52 ? ? ? ? ? ? 227 LEU A CD2 1 -ATOM 1722 N N . ASN A 1 228 ? 87.357 55.903 42.870 1.00 12.97 ? ? ? ? ? ? 228 ASN A N 1 -ATOM 1723 C CA . ASN A 1 228 ? 88.314 56.763 43.523 1.00 12.45 ? ? ? ? ? ? 228 ASN A CA 1 -ATOM 1724 C C . ASN A 1 228 ? 87.679 57.365 44.766 1.00 15.52 ? ? ? ? ? ? 228 ASN A C 1 -ATOM 1725 O O . ASN A 1 228 ? 88.308 57.435 45.830 1.00 17.46 ? ? ? ? ? ? 228 ASN A O 1 -ATOM 1726 C CB . ASN A 1 228 ? 88.764 57.846 42.566 1.00 9.62 ? ? ? ? ? ? 228 ASN A CB 1 -ATOM 1727 C CG . ASN A 1 228 ? 89.454 57.282 41.346 1.00 8.92 ? ? ? ? ? ? 228 ASN A CG 1 -ATOM 1728 O OD1 . ASN A 1 228 ? 89.950 56.159 41.359 1.00 7.32 ? ? ? ? ? ? 228 ASN A OD1 1 -ATOM 1729 N ND2 . ASN A 1 228 ? 89.500 58.061 40.286 1.00 9.39 ? ? ? ? ? ? 228 ASN A ND2 1 -ATOM 1730 N N . ALA A 1 229 ? 86.399 57.710 44.671 1.00 16.89 ? ? ? ? ? ? 229 ALA A N 1 -ATOM 1731 C CA . ALA A 1 229 ? 85.705 58.291 45.808 1.00 17.59 ? ? ? ? ? ? 229 ALA A CA 1 -ATOM 1732 C C . ALA A 1 229 ? 85.619 57.279 46.975 1.00 18.45 ? ? ? ? ? ? 229 ALA A C 1 -ATOM 1733 O O . ALA A 1 229 ? 85.695 57.664 48.150 1.00 17.65 ? ? ? ? ? ? 229 ALA A O 1 -ATOM 1734 C CB . ALA A 1 229 ? 84.332 58.787 45.384 1.00 15.82 ? ? ? ? ? ? 229 ALA A CB 1 -ATOM 1735 N N . MET A 1 230 ? 85.510 55.988 46.665 1.00 19.20 ? ? ? ? ? ? 230 MET A N 1 -ATOM 1736 C CA . MET A 1 230 ? 85.449 54.989 47.738 1.00 22.22 ? ? ? ? ? ? 230 MET A CA 1 -ATOM 1737 C C . MET A 1 230 ? 86.832 54.870 48.371 1.00 24.05 ? ? ? ? ? ? 230 MET A C 1 -ATOM 1738 O O . MET A 1 230 ? 86.969 54.763 49.609 1.00 23.16 ? ? ? ? ? ? 230 MET A O 1 -ATOM 1739 C CB . MET A 1 230 ? 84.972 53.626 47.220 1.00 21.80 ? ? ? ? ? ? 230 MET A CB 1 -ATOM 1740 C CG . MET A 1 230 ? 83.520 53.639 46.752 1.00 21.49 ? ? ? ? ? ? 230 MET A CG 1 -ATOM 1741 S SD . MET A 1 230 ? 82.912 52.043 46.190 1.00 20.85 ? ? ? ? ? ? 230 MET A SD 1 -ATOM 1742 C CE . MET A 1 230 ? 82.478 51.252 47.758 1.00 16.47 ? ? ? ? ? ? 230 MET A CE 1 -ATOM 1743 N N . GLY A 1 231 ? 87.850 54.909 47.503 1.00 25.52 ? ? ? ? ? ? 231 GLY A N 1 -ATOM 1744 C CA . GLY A 1 231 ? 89.232 54.841 47.942 1.00 25.19 ? ? ? ? ? ? 231 GLY A CA 1 -ATOM 1745 C C . GLY A 1 231 ? 89.537 56.080 48.759 1.00 24.92 ? ? ? ? ? ? 231 GLY A C 1 -ATOM 1746 O O . GLY A 1 231 ? 90.230 56.009 49.780 1.00 24.30 ? ? ? ? ? ? 231 GLY A O 1 -ATOM 1747 N N . HIS A 1 232 ? 88.949 57.204 48.348 1.00 24.68 ? ? ? ? ? ? 232 HIS A N 1 -ATOM 1748 C CA . HIS A 1 232 ? 89.129 58.480 49.042 1.00 25.12 ? ? ? ? ? ? 232 HIS A CA 1 -ATOM 1749 C C . HIS A 1 232 ? 88.669 58.332 50.479 1.00 24.46 ? ? ? ? ? ? 232 HIS A C 1 -ATOM 1750 O O . HIS A 1 232 ? 89.371 58.723 51.397 1.00 24.06 ? ? ? ? ? ? 232 HIS A O 1 -ATOM 1751 C CB . HIS A 1 232 ? 88.312 59.583 48.366 1.00 25.28 ? ? ? ? ? ? 232 HIS A CB 1 -ATOM 1752 C CG . HIS A 1 232 ? 88.343 60.898 49.089 1.00 24.69 ? ? ? ? ? ? 232 HIS A CG 1 -ATOM 1753 N ND1 . HIS A 1 232 ? 89.061 61.983 48.635 1.00 24.81 ? ? ? ? ? ? 232 HIS A ND1 1 -ATOM 1754 C CD2 . HIS A 1 232 ? 87.740 61.303 50.232 1.00 24.07 ? ? ? ? ? ? 232 HIS A CD2 1 -ATOM 1755 C CE1 . HIS A 1 232 ? 88.905 62.994 49.467 1.00 23.37 ? ? ? ? ? ? 232 HIS A CE1 1 -ATOM 1756 N NE2 . HIS A 1 232 ? 88.106 62.608 50.445 1.00 23.08 ? ? ? ? ? ? 232 HIS A NE2 1 -ATOM 1757 N N . VAL A 1 233 ? 87.474 57.781 50.654 1.00 24.98 ? ? ? ? ? ? 233 VAL A N 1 -ATOM 1758 C CA . VAL A 1 233 ? 86.895 57.564 51.974 1.00 24.95 ? ? ? ? ? ? 233 VAL A CA 1 -ATOM 1759 C C . VAL A 1 233 ? 87.698 56.578 52.813 1.00 25.47 ? ? ? ? ? ? 233 VAL A C 1 -ATOM 1760 O O . VAL A 1 233 ? 87.970 56.836 53.989 1.00 24.98 ? ? ? ? ? ? 233 VAL A O 1 -ATOM 1761 C CB . VAL A 1 233 ? 85.432 57.068 51.863 1.00 25.06 ? ? ? ? ? ? 233 VAL A CB 1 -ATOM 1762 C CG1 . VAL A 1 233 ? 84.910 56.632 53.237 1.00 24.67 ? ? ? ? ? ? 233 VAL A CG1 1 -ATOM 1763 C CG2 . VAL A 1 233 ? 84.541 58.175 51.265 1.00 23.33 ? ? ? ? ? ? 233 VAL A CG2 1 -ATOM 1764 N N . ILE A 1 234 ? 88.081 55.453 52.211 1.00 26.62 ? ? ? ? ? ? 234 ILE A N 1 -ATOM 1765 C CA . ILE A 1 234 ? 88.847 54.435 52.927 1.00 26.69 ? ? ? ? ? ? 234 ILE A CA 1 -ATOM 1766 C C . ILE A 1 234 ? 90.134 54.988 53.540 1.00 26.96 ? ? ? ? ? ? 234 ILE A C 1 -ATOM 1767 O O . ILE A 1 234 ? 90.491 54.624 54.664 1.00 26.20 ? ? ? ? ? ? 234 ILE A O 1 -ATOM 1768 C CB . ILE A 1 234 ? 89.104 53.185 52.037 1.00 26.26 ? ? ? ? ? ? 234 ILE A CB 1 -ATOM 1769 C CG1 . ILE A 1 234 ? 87.832 52.337 51.976 1.00 27.02 ? ? ? ? ? ? 234 ILE A CG1 1 -ATOM 1770 C CG2 . ILE A 1 234 ? 90.204 52.323 52.610 1.00 26.53 ? ? ? ? ? ? 234 ILE A CG2 1 -ATOM 1771 C CD1 . ILE A 1 234 ? 87.954 51.075 51.134 1.00 27.80 ? ? ? ? ? ? 234 ILE A CD1 1 -ATOM 1772 N N . ILE A 1 235 ? 90.815 55.874 52.812 1.00 27.73 ? ? ? ? ? ? 235 ILE A N 1 -ATOM 1773 C CA . ILE A 1 235 ? 92.047 56.494 53.297 1.00 27.92 ? ? ? ? ? ? 235 ILE A CA 1 -ATOM 1774 C C . ILE A 1 235 ? 91.723 57.666 54.218 1.00 29.55 ? ? ? ? ? ? 235 ILE A C 1 -ATOM 1775 O O . ILE A 1 235 ? 92.282 57.766 55.310 1.00 30.43 ? ? ? ? ? ? 235 ILE A O 1 -ATOM 1776 C CB . ILE A 1 235 ? 92.942 56.960 52.128 1.00 27.34 ? ? ? ? ? ? 235 ILE A CB 1 -ATOM 1777 C CG1 . ILE A 1 235 ? 93.570 55.732 51.437 1.00 28.86 ? ? ? ? ? ? 235 ILE A CG1 1 -ATOM 1778 C CG2 . ILE A 1 235 ? 94.001 57.921 52.617 1.00 23.91 ? ? ? ? ? ? 235 ILE A CG2 1 -ATOM 1779 C CD1 . ILE A 1 235 ? 94.315 56.015 50.126 1.00 26.15 ? ? ? ? ? ? 235 ILE A CD1 1 -ATOM 1780 N N . GLU A 1 236 ? 90.782 58.515 53.802 1.00 31.13 ? ? ? ? ? ? 236 GLU A N 1 -ATOM 1781 C CA . GLU A 1 236 ? 90.367 59.683 54.589 1.00 32.54 ? ? ? ? ? ? 236 GLU A CA 1 -ATOM 1782 C C . GLU A 1 236 ? 90.014 59.286 56.019 1.00 32.08 ? ? ? ? ? ? 236 GLU A C 1 -ATOM 1783 O O . GLU A 1 236 ? 90.481 59.897 56.971 1.00 33.35 ? ? ? ? ? ? 236 GLU A O 1 -ATOM 1784 C CB . GLU A 1 236 ? 89.152 60.379 53.957 1.00 34.82 ? ? ? ? ? ? 236 GLU A CB 1 -ATOM 1785 C CG . GLU A 1 236 ? 88.804 61.731 54.604 1.00 40.63 ? ? ? ? ? ? 236 GLU A CG 1 -ATOM 1786 C CD . GLU A 1 236 ? 87.488 62.337 54.098 1.00 43.51 ? ? ? ? ? ? 236 GLU A CD 1 -ATOM 1787 O OE1 . GLU A 1 236 ? 86.427 61.702 54.283 1.00 46.10 ? ? ? ? ? ? 236 GLU A OE1 1 -ATOM 1788 O OE2 . GLU A 1 236 ? 87.503 63.457 53.531 1.00 44.65 ? ? ? ? ? ? 236 GLU A OE2 1 -ATOM 1789 N N . GLU A 1 237 ? 89.203 58.246 56.162 1.00 31.59 ? ? ? ? ? ? 237 GLU A N 1 -ATOM 1790 C CA . GLU A 1 237 ? 88.778 57.770 57.477 1.00 29.79 ? ? ? ? ? ? 237 GLU A CA 1 -ATOM 1791 C C . GLU A 1 237 ? 89.689 56.732 58.135 1.00 29.41 ? ? ? ? ? ? 237 GLU A C 1 -ATOM 1792 O O . GLU A 1 237 ? 89.284 56.112 59.119 1.00 28.55 ? ? ? ? ? ? 237 GLU A O 1 -ATOM 1793 C CB . GLU A 1 237 ? 87.368 57.192 57.400 1.00 28.13 ? ? ? ? ? ? 237 GLU A CB 1 -ATOM 1794 C CG . GLU A 1 237 ? 86.355 58.106 56.764 1.00 22.96 ? ? ? ? ? ? 237 GLU A CG 1 -ATOM 1795 C CD . GLU A 1 237 ? 84.950 57.724 57.101 1.00 19.55 ? ? ? ? ? ? 237 GLU A CD 1 -ATOM 1796 O OE1 . GLU A 1 237 ? 84.737 56.643 57.676 1.00 16.11 ? ? ? ? ? ? 237 GLU A OE1 1 -ATOM 1797 O OE2 . GLU A 1 237 ? 84.052 58.527 56.802 1.00 18.30 ? ? ? ? ? ? 237 GLU A OE2 1 -ATOM 1798 N N . ASN A 1 238 ? 90.875 56.506 57.564 1.00 28.99 ? ? ? ? ? ? 238 ASN A N 1 -ATOM 1799 C CA . ASN A 1 238 ? 91.856 55.554 58.102 1.00 29.23 ? ? ? ? ? ? 238 ASN A CA 1 -ATOM 1800 C C . ASN A 1 238 ? 91.333 54.138 58.270 1.00 29.42 ? ? ? ? ? ? 238 ASN A C 1 -ATOM 1801 O O . ASN A 1 238 ? 91.766 53.412 59.162 1.00 29.36 ? ? ? ? ? ? 238 ASN A O 1 -ATOM 1802 C CB . ASN A 1 238 ? 92.395 56.046 59.447 1.00 30.40 ? ? ? ? ? ? 238 ASN A CB 1 -ATOM 1803 C CG . ASN A 1 238 ? 93.072 57.394 59.339 1.00 32.50 ? ? ? ? ? ? 238 ASN A CG 1 -ATOM 1804 O OD1 . ASN A 1 238 ? 93.882 57.623 58.435 1.00 33.29 ? ? ? ? ? ? 238 ASN A OD1 1 -ATOM 1805 N ND2 . ASN A 1 238 ? 92.725 58.308 60.242 1.00 32.31 ? ? ? ? ? ? 238 ASN A ND2 1 -ATOM 1806 N N . LEU A 1 239 ? 90.438 53.731 57.378 1.00 29.98 ? ? ? ? ? ? 239 LEU A N 1 -ATOM 1807 C CA . LEU A 1 239 ? 89.829 52.408 57.438 1.00 29.50 ? ? ? ? ? ? 239 LEU A CA 1 -ATOM 1808 C C . LEU A 1 239 ? 90.621 51.335 56.718 1.00 29.91 ? ? ? ? ? ? 239 LEU A C 1 -ATOM 1809 O O . LEU A 1 239 ? 90.277 50.150 56.787 1.00 29.59 ? ? ? ? ? ? 239 LEU A O 1 -ATOM 1810 C CB . LEU A 1 239 ? 88.419 52.472 56.867 1.00 29.20 ? ? ? ? ? ? 239 LEU A CB 1 -ATOM 1811 C CG . LEU A 1 239 ? 87.452 53.358 57.647 1.00 30.65 ? ? ? ? ? ? 239 LEU A CG 1 -ATOM 1812 C CD1 . LEU A 1 239 ? 86.188 53.574 56.831 1.00 31.67 ? ? ? ? ? ? 239 LEU A CD1 1 -ATOM 1813 C CD2 . LEU A 1 239 ? 87.125 52.729 58.998 1.00 30.71 ? ? ? ? ? ? 239 LEU A CD2 1 -ATOM 1814 N N . TYR A 1 240 ? 91.674 51.749 56.017 1.00 30.04 ? ? ? ? ? ? 240 TYR A N 1 -ATOM 1815 C CA . TYR A 1 240 ? 92.498 50.810 55.264 1.00 29.23 ? ? ? ? ? ? 240 TYR A CA 1 -ATOM 1816 C C . TYR A 1 240 ? 93.398 49.934 56.120 1.00 28.84 ? ? ? ? ? ? 240 TYR A C 1 -ATOM 1817 O O . TYR A 1 240 ? 93.596 50.194 57.313 1.00 28.11 ? ? ? ? ? ? 240 TYR A O 1 -ATOM 1818 C CB . TYR A 1 240 ? 93.320 51.522 54.185 1.00 28.93 ? ? ? ? ? ? 240 TYR A CB 1 -ATOM 1819 C CG . TYR A 1 240 ? 94.410 52.461 54.673 1.00 28.14 ? ? ? ? ? ? 240 TYR A CG 1 -ATOM 1820 C CD1 . TYR A 1 240 ? 94.125 53.781 55.008 1.00 27.55 ? ? ? ? ? ? 240 TYR A CD1 1 -ATOM 1821 C CD2 . TYR A 1 240 ? 95.741 52.056 54.697 1.00 28.80 ? ? ? ? ? ? 240 TYR A CD2 1 -ATOM 1822 C CE1 . TYR A 1 240 ? 95.131 54.666 55.340 1.00 26.17 ? ? ? ? ? ? 240 TYR A CE1 1 -ATOM 1823 C CE2 . TYR A 1 240 ? 96.757 52.942 55.024 1.00 27.31 ? ? ? ? ? ? 240 TYR A CE2 1 -ATOM 1824 C CZ . TYR A 1 240 ? 96.445 54.242 55.338 1.00 26.50 ? ? ? ? ? ? 240 TYR A CZ 1 -ATOM 1825 O OH . TYR A 1 240 ? 97.458 55.129 55.597 1.00 25.95 ? ? ? ? ? ? 240 TYR A OH 1 -ATOM 1826 N N . ASP A 1 241 ? 93.973 48.919 55.477 1.00 27.84 ? ? ? ? ? ? 241 ASP A N 1 -ATOM 1827 C CA . ASP A 1 241 ? 94.845 47.968 56.138 1.00 26.79 ? ? ? ? ? ? 241 ASP A CA 1 -ATOM 1828 C C . ASP A 1 241 ? 96.302 48.394 56.038 1.00 25.76 ? ? ? ? ? ? 241 ASP A C 1 -ATOM 1829 O O . ASP A 1 241 ? 97.016 47.985 55.133 1.00 25.11 ? ? ? ? ? ? 241 ASP A O 1 -ATOM 1830 C CB . ASP A 1 241 ? 94.655 46.583 55.530 1.00 26.92 ? ? ? ? ? ? 241 ASP A CB 1 -ATOM 1831 C CG . ASP A 1 241 ? 95.135 45.478 56.446 1.00 27.04 ? ? ? ? ? ? 241 ASP A CG 1 -ATOM 1832 O OD1 . ASP A 1 241 ? 96.124 45.674 57.173 1.00 27.84 ? ? ? ? ? ? 241 ASP A OD1 1 -ATOM 1833 O OD2 . ASP A 1 241 ? 94.523 44.397 56.441 1.00 28.94 ? ? ? ? ? ? 241 ASP A OD2 1 -ATOM 1834 N N . LYS A 1 242 ? 96.749 49.175 57.014 1.00 25.14 ? ? ? ? ? ? 242 LYS A N 1 -ATOM 1835 C CA . LYS A 1 242 ? 98.116 49.664 57.047 1.00 23.91 ? ? ? ? ? ? 242 LYS A CA 1 -ATOM 1836 C C . LYS A 1 242 ? 99.159 48.550 57.000 1.00 23.11 ? ? ? ? ? ? 242 LYS A C 1 -ATOM 1837 O O . LYS A 1 242 ? 99.945 48.486 56.067 1.00 22.67 ? ? ? ? ? ? 242 LYS A O 1 -ATOM 1838 C CB . LYS A 1 242 ? 98.288 50.589 58.240 1.00 23.25 ? ? ? ? ? ? 242 LYS A CB 1 -ATOM 1839 C CG . LYS A 1 242 ? 97.497 51.850 58.005 1.00 26.34 ? ? ? ? ? ? 242 LYS A CG 1 -ATOM 1840 C CD . LYS A 1 242 ? 97.012 52.549 59.261 1.00 29.46 ? ? ? ? ? ? 242 LYS A CD 1 -ATOM 1841 C CE . LYS A 1 242 ? 96.007 53.645 58.878 1.00 28.39 ? ? ? ? ? ? 242 LYS A CE 1 -ATOM 1842 N NZ . LYS A 1 242 ? 95.718 54.557 60.006 1.00 27.52 ? ? ? ? ? ? 242 LYS A NZ 1 -ATOM 1843 N N . ALA A 1 243 ? 99.114 47.629 57.953 1.00 22.35 ? ? ? ? ? ? 243 ALA A N 1 -ATOM 1844 C CA . ALA A 1 243 ? 100.056 46.524 57.970 1.00 20.11 ? ? ? ? ? ? 243 ALA A CA 1 -ATOM 1845 C C . ALA A 1 243 ? 100.069 45.803 56.619 1.00 19.95 ? ? ? ? ? ? 243 ALA A C 1 -ATOM 1846 O O . ALA A 1 243 ? 101.119 45.672 55.992 1.00 21.41 ? ? ? ? ? ? 243 ALA A O 1 -ATOM 1847 C CB . ALA A 1 243 ? 99.700 45.566 59.063 1.00 19.00 ? ? ? ? ? ? 243 ALA A CB 1 -ATOM 1848 N N . PHE A 1 244 ? 98.908 45.363 56.150 1.00 17.97 ? ? ? ? ? ? 244 PHE A N 1 -ATOM 1849 C CA . PHE A 1 244 ? 98.847 44.651 54.871 1.00 16.88 ? ? ? ? ? ? 244 PHE A CA 1 -ATOM 1850 C C . PHE A 1 244 ? 99.484 45.536 53.804 1.00 17.24 ? ? ? ? ? ? 244 PHE A C 1 -ATOM 1851 O O . PHE A 1 244 ? 100.489 45.171 53.190 1.00 17.25 ? ? ? ? ? ? 244 PHE A O 1 -ATOM 1852 C CB . PHE A 1 244 ? 97.394 44.310 54.510 1.00 15.54 ? ? ? ? ? ? 244 PHE A CB 1 -ATOM 1853 C CG . PHE A 1 244 ? 97.257 43.459 53.291 1.00 14.33 ? ? ? ? ? ? 244 PHE A CG 1 -ATOM 1854 C CD1 . PHE A 1 244 ? 97.555 42.112 53.336 1.00 12.42 ? ? ? ? ? ? 244 PHE A CD1 1 -ATOM 1855 C CD2 . PHE A 1 244 ? 96.862 44.018 52.076 1.00 15.64 ? ? ? ? ? ? 244 PHE A CD2 1 -ATOM 1856 C CE1 . PHE A 1 244 ? 97.473 41.333 52.197 1.00 13.56 ? ? ? ? ? ? 244 PHE A CE1 1 -ATOM 1857 C CE2 . PHE A 1 244 ? 96.776 43.240 50.918 1.00 14.37 ? ? ? ? ? ? 244 PHE A CE2 1 -ATOM 1858 C CZ . PHE A 1 244 ? 97.084 41.894 50.983 1.00 14.09 ? ? ? ? ? ? 244 PHE A CZ 1 -ATOM 1859 N N . VAL A 1 245 ? 98.937 46.736 53.659 1.00 17.49 ? ? ? ? ? ? 245 VAL A N 1 -ATOM 1860 C CA . VAL A 1 245 ? 99.430 47.710 52.698 1.00 17.35 ? ? ? ? ? ? 245 VAL A CA 1 -ATOM 1861 C C . VAL A 1 245 ? 100.949 47.818 52.731 1.00 16.30 ? ? ? ? ? ? 245 VAL A C 1 -ATOM 1862 O O . VAL A 1 245 ? 101.603 47.593 51.723 1.00 17.07 ? ? ? ? ? ? 245 VAL A O 1 -ATOM 1863 C CB . VAL A 1 245 ? 98.752 49.120 52.910 1.00 17.25 ? ? ? ? ? ? 245 VAL A CB 1 -ATOM 1864 C CG1 . VAL A 1 245 ? 99.519 50.222 52.188 1.00 14.61 ? ? ? ? ? ? 245 VAL A CG1 1 -ATOM 1865 C CG2 . VAL A 1 245 ? 97.321 49.088 52.370 1.00 15.47 ? ? ? ? ? ? 245 VAL A CG2 1 -ATOM 1866 N N . ALA A 1 246 ? 101.504 48.002 53.917 1.00 15.97 ? ? ? ? ? ? 246 ALA A N 1 -ATOM 1867 C CA . ALA A 1 246 ? 102.940 48.170 54.070 1.00 15.69 ? ? ? ? ? ? 246 ALA A CA 1 -ATOM 1868 C C . ALA A 1 246 ? 103.745 46.940 53.788 1.00 16.45 ? ? ? ? ? ? 246 ALA A C 1 -ATOM 1869 O O . ALA A 1 246 ? 104.807 47.029 53.185 1.00 17.66 ? ? ? ? ? ? 246 ALA A O 1 -ATOM 1870 C CB . ALA A 1 246 ? 103.263 48.676 55.456 1.00 14.48 ? ? ? ? ? ? 246 ALA A CB 1 -ATOM 1871 N N . SER A 1 247 ? 103.216 45.784 54.165 1.00 18.19 ? ? ? ? ? ? 247 SER A N 1 -ATOM 1872 C CA . SER A 1 247 ? 103.942 44.532 54.004 1.00 18.41 ? ? ? ? ? ? 247 SER A CA 1 -ATOM 1873 C C . SER A 1 247 ? 103.791 43.812 52.690 1.00 20.15 ? ? ? ? ? ? 247 SER A C 1 -ATOM 1874 O O . SER A 1 247 ? 104.724 43.110 52.269 1.00 23.49 ? ? ? ? ? ? 247 SER A O 1 -ATOM 1875 C CB . SER A 1 247 ? 103.578 43.558 55.125 1.00 17.05 ? ? ? ? ? ? 247 SER A CB 1 -ATOM 1876 O OG . SER A 1 247 ? 102.182 43.319 55.179 1.00 16.69 ? ? ? ? ? ? 247 SER A OG 1 -ATOM 1877 N N . ARG A 1 248 ? 102.648 43.986 52.035 1.00 18.03 ? ? ? ? ? ? 248 ARG A N 1 -ATOM 1878 C CA . ARG A 1 248 ? 102.394 43.268 50.808 1.00 17.40 ? ? ? ? ? ? 248 ARG A CA 1 -ATOM 1879 C C . ARG A 1 248 ? 102.032 44.094 49.589 1.00 18.86 ? ? ? ? ? ? 248 ARG A C 1 -ATOM 1880 O O . ARG A 1 248 ? 101.705 43.521 48.542 1.00 18.74 ? ? ? ? ? ? 248 ARG A O 1 -ATOM 1881 C CB . ARG A 1 248 ? 101.285 42.242 51.053 1.00 17.49 ? ? ? ? ? ? 248 ARG A CB 1 -ATOM 1882 C CG . ARG A 1 248 ? 101.672 40.958 51.767 1.00 14.23 ? ? ? ? ? ? 248 ARG A CG 1 -ATOM 1883 C CD . ARG A 1 248 ? 100.406 40.184 52.080 1.00 14.89 ? ? ? ? ? ? 248 ARG A CD 1 -ATOM 1884 N NE . ARG A 1 248 ? 100.438 38.764 51.724 1.00 14.88 ? ? ? ? ? ? 248 ARG A NE 1 -ATOM 1885 C CZ . ARG A 1 248 ? 100.042 38.262 50.554 1.00 16.42 ? ? ? ? ? ? 248 ARG A CZ 1 -ATOM 1886 N NH1 . ARG A 1 248 ? 99.590 39.055 49.595 1.00 15.88 ? ? ? ? ? ? 248 ARG A NH1 1 -ATOM 1887 N NH2 . ARG A 1 248 ? 100.047 36.949 50.354 1.00 15.88 ? ? ? ? ? ? 248 ARG A NH2 1 -ATOM 1888 N N . THR A 1 249 ? 102.041 45.421 49.699 1.00 20.23 ? ? ? ? ? ? 249 THR A N 1 -ATOM 1889 C CA . THR A 1 249 ? 101.693 46.245 48.541 1.00 20.33 ? ? ? ? ? ? 249 THR A CA 1 -ATOM 1890 C C . THR A 1 249 ? 102.815 47.182 48.098 1.00 20.93 ? ? ? ? ? ? 249 THR A C 1 -ATOM 1891 O O . THR A 1 249 ? 103.825 47.326 48.793 1.00 21.17 ? ? ? ? ? ? 249 THR A O 1 -ATOM 1892 C CB . THR A 1 249 ? 100.343 47.011 48.739 1.00 20.40 ? ? ? ? ? ? 249 THR A CB 1 -ATOM 1893 O OG1 . THR A 1 249 ? 100.553 48.261 49.409 1.00 19.53 ? ? ? ? ? ? 249 THR A OG1 1 -ATOM 1894 C CG2 . THR A 1 249 ? 99.361 46.158 49.538 1.00 18.82 ? ? ? ? ? ? 249 THR A CG2 1 -ATOM 1895 N N . GLU A 1 250 ? 102.663 47.738 46.892 1.00 21.60 ? ? ? ? ? ? 250 GLU A N 1 -ATOM 1896 C CA . GLU A 1 250 ? 103.628 48.664 46.275 1.00 20.86 ? ? ? ? ? ? 250 GLU A CA 1 -ATOM 1897 C C . GLU A 1 250 ? 102.791 49.759 45.592 1.00 21.38 ? ? ? ? ? ? 250 GLU A C 1 -ATOM 1898 O O . GLU A 1 250 ? 101.701 49.483 45.081 1.00 22.90 ? ? ? ? ? ? 250 GLU A O 1 -ATOM 1899 C CB . GLU A 1 250 ? 104.437 47.894 45.232 1.00 20.35 ? ? ? ? ? ? 250 GLU A CB 1 -ATOM 1900 C CG . GLU A 1 250 ? 105.579 48.609 44.569 1.00 21.64 ? ? ? ? ? ? 250 GLU A CG 1 -ATOM 1901 C CD . GLU A 1 250 ? 106.847 47.734 44.525 1.00 24.47 ? ? ? ? ? ? 250 GLU A CD 1 -ATOM 1902 O OE1 . GLU A 1 250 ? 106.754 46.554 44.129 1.00 24.53 ? ? ? ? ? ? 250 GLU A OE1 1 -ATOM 1903 O OE2 . GLU A 1 250 ? 107.941 48.211 44.915 1.00 25.92 ? ? ? ? ? ? 250 GLU A OE2 1 -ATOM 1904 N N . GLY A 1 251 ? 103.240 51.006 45.648 1.00 20.61 ? ? ? ? ? ? 251 GLY A N 1 -ATOM 1905 C CA . GLY A 1 251 ? 102.491 52.072 44.998 1.00 21.26 ? ? ? ? ? ? 251 GLY A CA 1 -ATOM 1906 C C . GLY A 1 251 ? 101.317 52.738 45.718 1.00 21.18 ? ? ? ? ? ? 251 GLY A C 1 -ATOM 1907 O O . GLY A 1 251 ? 100.477 53.385 45.083 1.00 20.30 ? ? ? ? ? ? 251 GLY A O 1 -ATOM 1908 N N . PHE A 1 252 ? 101.265 52.611 47.037 1.00 22.04 ? ? ? ? ? ? 252 PHE A N 1 -ATOM 1909 C CA . PHE A 1 252 ? 100.203 53.233 47.806 1.00 24.01 ? ? ? ? ? ? 252 PHE A CA 1 -ATOM 1910 C C . PHE A 1 252 ? 100.231 54.754 47.647 1.00 27.33 ? ? ? ? ? ? 252 PHE A C 1 -ATOM 1911 O O . PHE A 1 252 ? 99.256 55.349 47.192 1.00 29.40 ? ? ? ? ? ? 252 PHE A O 1 -ATOM 1912 C CB . PHE A 1 252 ? 100.333 52.873 49.284 1.00 22.43 ? ? ? ? ? ? 252 PHE A CB 1 -ATOM 1913 C CG . PHE A 1 252 ? 99.323 53.550 50.166 1.00 21.99 ? ? ? ? ? ? 252 PHE A CG 1 -ATOM 1914 C CD1 . PHE A 1 252 ? 97.969 53.258 50.045 1.00 21.93 ? ? ? ? ? ? 252 PHE A CD1 1 -ATOM 1915 C CD2 . PHE A 1 252 ? 99.727 54.474 51.128 1.00 23.55 ? ? ? ? ? ? 252 PHE A CD2 1 -ATOM 1916 C CE1 . PHE A 1 252 ? 97.021 53.867 50.869 1.00 23.19 ? ? ? ? ? ? 252 PHE A CE1 1 -ATOM 1917 C CE2 . PHE A 1 252 ? 98.789 55.097 51.966 1.00 24.79 ? ? ? ? ? ? 252 PHE A CE2 1 -ATOM 1918 C CZ . PHE A 1 252 ? 97.426 54.791 51.833 1.00 25.02 ? ? ? ? ? ? 252 PHE A CZ 1 -ATOM 1919 N N . GLU A 1 253 ? 101.352 55.380 48.002 1.00 28.84 ? ? ? ? ? ? 253 GLU A N 1 -ATOM 1920 C CA . GLU A 1 253 ? 101.476 56.828 47.914 1.00 30.78 ? ? ? ? ? ? 253 GLU A CA 1 -ATOM 1921 C C . GLU A 1 253 ? 100.919 57.441 46.636 1.00 31.46 ? ? ? ? ? ? 253 GLU A C 1 -ATOM 1922 O O . GLU A 1 253 ? 100.051 58.331 46.686 1.00 31.76 ? ? ? ? ? ? 253 GLU A O 1 -ATOM 1923 C CB . GLU A 1 253 ? 102.932 57.283 48.078 1.00 32.72 ? ? ? ? ? ? 253 GLU A CB 1 -ATOM 1924 C CG . GLU A 1 253 ? 103.610 56.861 49.379 1.00 37.76 ? ? ? ? ? ? 253 GLU A CG 1 -ATOM 1925 C CD . GLU A 1 253 ? 102.759 57.126 50.620 1.00 39.57 ? ? ? ? ? ? 253 GLU A CD 1 -ATOM 1926 O OE1 . GLU A 1 253 ? 102.169 58.224 50.735 1.00 39.71 ? ? ? ? ? ? 253 GLU A OE1 1 -ATOM 1927 O OE2 . GLU A 1 253 ? 102.690 56.225 51.487 1.00 41.03 ? ? ? ? ? ? 253 GLU A OE2 1 -ATOM 1928 N N . GLU A 1 254 ? 101.397 56.966 45.493 1.00 30.88 ? ? ? ? ? ? 254 GLU A N 1 -ATOM 1929 C CA . GLU A 1 254 ? 100.951 57.529 44.232 1.00 31.97 ? ? ? ? ? ? 254 GLU A CA 1 -ATOM 1930 C C . GLU A 1 254 ? 99.442 57.381 44.042 1.00 31.34 ? ? ? ? ? ? 254 GLU A C 1 -ATOM 1931 O O . GLU A 1 254 ? 98.796 58.247 43.441 1.00 31.01 ? ? ? ? ? ? 254 GLU A O 1 -ATOM 1932 C CB . GLU A 1 254 ? 101.779 56.974 43.054 1.00 34.67 ? ? ? ? ? ? 254 GLU A CB 1 -ATOM 1933 C CG . GLU A 1 254 ? 103.311 57.346 43.076 1.00 39.39 ? ? ? ? ? ? 254 GLU A CG 1 -ATOM 1934 C CD . GLU A 1 254 ? 103.638 58.849 42.722 1.00 43.39 ? ? ? ? ? ? 254 GLU A CD 1 -ATOM 1935 O OE1 . GLU A 1 254 ? 102.882 59.786 43.119 1.00 44.62 ? ? ? ? ? ? 254 GLU A OE1 1 -ATOM 1936 O OE2 . GLU A 1 254 ? 104.683 59.097 42.061 1.00 42.04 ? ? ? ? ? ? 254 GLU A OE2 1 -ATOM 1937 N N . TYR A 1 255 ? 98.874 56.329 44.627 1.00 31.44 ? ? ? ? ? ? 255 TYR A N 1 -ATOM 1938 C CA . TYR A 1 255 ? 97.434 56.070 44.549 1.00 31.14 ? ? ? ? ? ? 255 TYR A CA 1 -ATOM 1939 C C . TYR A 1 255 ? 96.728 57.047 45.473 1.00 32.01 ? ? ? ? ? ? 255 TYR A C 1 -ATOM 1940 O O . TYR A 1 255 ? 95.698 57.603 45.126 1.00 32.57 ? ? ? ? ? ? 255 TYR A O 1 -ATOM 1941 C CB . TYR A 1 255 ? 97.118 54.629 44.984 1.00 28.69 ? ? ? ? ? ? 255 TYR A CB 1 -ATOM 1942 C CG . TYR A 1 255 ? 95.638 54.310 45.124 1.00 27.03 ? ? ? ? ? ? 255 TYR A CG 1 -ATOM 1943 C CD1 . TYR A 1 255 ? 94.878 53.967 44.013 1.00 26.25 ? ? ? ? ? ? 255 TYR A CD1 1 -ATOM 1944 C CD2 . TYR A 1 255 ? 95.000 54.352 46.366 1.00 25.45 ? ? ? ? ? ? 255 TYR A CD2 1 -ATOM 1945 C CE1 . TYR A 1 255 ? 93.531 53.679 44.129 1.00 25.30 ? ? ? ? ? ? 255 TYR A CE1 1 -ATOM 1946 C CE2 . TYR A 1 255 ? 93.640 54.064 46.490 1.00 24.47 ? ? ? ? ? ? 255 TYR A CE2 1 -ATOM 1947 C CZ . TYR A 1 255 ? 92.911 53.731 45.364 1.00 24.89 ? ? ? ? ? ? 255 TYR A CZ 1 -ATOM 1948 O OH . TYR A 1 255 ? 91.559 53.457 45.438 1.00 25.02 ? ? ? ? ? ? 255 TYR A OH 1 -ATOM 1949 N N . ARG A 1 256 ? 97.312 57.252 46.647 1.00 34.04 ? ? ? ? ? ? 256 ARG A N 1 -ATOM 1950 C CA . ARG A 1 256 ? 96.789 58.153 47.672 1.00 35.46 ? ? ? ? ? ? 256 ARG A CA 1 -ATOM 1951 C C . ARG A 1 256 ? 96.515 59.531 47.057 1.00 35.71 ? ? ? ? ? ? 256 ARG A C 1 -ATOM 1952 O O . ARG A 1 256 ? 95.433 60.106 47.255 1.00 35.85 ? ? ? ? ? ? 256 ARG A O 1 -ATOM 1953 C CB . ARG A 1 256 ? 97.820 58.252 48.803 1.00 37.76 ? ? ? ? ? ? 256 ARG A CB 1 -ATOM 1954 C CG . ARG A 1 256 ? 97.385 58.948 50.077 1.00 40.57 ? ? ? ? ? ? 256 ARG A CG 1 -ATOM 1955 C CD . ARG A 1 256 ? 98.579 59.124 51.051 1.00 43.97 ? ? ? ? ? ? 256 ARG A CD 1 -ATOM 1956 N NE . ARG A 1 256 ? 99.422 60.303 50.781 1.00 46.83 ? ? ? ? ? ? 256 ARG A NE 1 -ATOM 1957 C CZ . ARG A 1 256 ? 100.371 60.386 49.842 1.00 47.79 ? ? ? ? ? ? 256 ARG A CZ 1 -ATOM 1958 N NH1 . ARG A 1 256 ? 100.628 59.361 49.042 1.00 46.84 ? ? ? ? ? ? 256 ARG A NH1 1 -ATOM 1959 N NH2 . ARG A 1 256 ? 101.089 61.498 49.715 1.00 47.58 ? ? ? ? ? ? 256 ARG A NH2 1 -ATOM 1960 N N . LYS A 1 257 ? 97.470 60.024 46.262 1.00 35.48 ? ? ? ? ? ? 257 LYS A N 1 -ATOM 1961 C CA . LYS A 1 257 ? 97.340 61.324 45.602 1.00 34.33 ? ? ? ? ? ? 257 LYS A CA 1 -ATOM 1962 C C . LYS A 1 257 ? 96.086 61.468 44.744 1.00 34.36 ? ? ? ? ? ? 257 LYS A C 1 -ATOM 1963 O O . LYS A 1 257 ? 95.316 62.419 44.930 1.00 35.57 ? ? ? ? ? ? 257 LYS A O 1 -ATOM 1964 C CB . LYS A 1 257 ? 98.549 61.623 44.719 1.00 33.54 ? ? ? ? ? ? 257 LYS A CB 1 -ATOM 1965 C CG . LYS A 1 257 ? 99.720 62.264 45.419 1.00 35.18 ? ? ? ? ? ? 257 LYS A CG 1 -ATOM 1966 C CD . LYS A 1 257 ? 100.578 61.249 46.172 1.00 37.36 ? ? ? ? ? ? 257 LYS A CD 1 -ATOM 1967 C CE . LYS A 1 257 ? 101.945 61.835 46.543 1.00 36.56 ? ? ? ? ? ? 257 LYS A CE 1 -ATOM 1968 N NZ . LYS A 1 257 ? 102.704 60.935 47.446 1.00 36.67 ? ? ? ? ? ? 257 LYS A NZ 1 -ATOM 1969 N N . ILE A 1 258 ? 95.872 60.534 43.815 1.00 32.58 ? ? ? ? ? ? 258 ILE A N 1 -ATOM 1970 C CA . ILE A 1 258 ? 94.719 60.623 42.920 1.00 31.23 ? ? ? ? ? ? 258 ILE A CA 1 -ATOM 1971 C C . ILE A 1 258 ? 93.363 60.492 43.598 1.00 30.54 ? ? ? ? ? ? 258 ILE A C 1 -ATOM 1972 O O . ILE A 1 258 ? 92.355 60.953 43.060 1.00 30.22 ? ? ? ? ? ? 258 ILE A O 1 -ATOM 1973 C CB . ILE A 1 258 ? 94.782 59.628 41.747 1.00 30.58 ? ? ? ? ? ? 258 ILE A CB 1 -ATOM 1974 C CG1 . ILE A 1 258 ? 96.188 59.553 41.193 1.00 30.04 ? ? ? ? ? ? 258 ILE A CG1 1 -ATOM 1975 C CG2 . ILE A 1 258 ? 93.929 60.138 40.602 1.00 30.09 ? ? ? ? ? ? 258 ILE A CG2 1 -ATOM 1976 C CD1 . ILE A 1 258 ? 96.269 58.733 39.941 1.00 32.91 ? ? ? ? ? ? 258 ILE A CD1 1 -ATOM 1977 N N . VAL A 1 259 ? 93.311 59.859 44.761 1.00 29.41 ? ? ? ? ? ? 259 VAL A N 1 -ATOM 1978 C CA . VAL A 1 259 ? 92.026 59.739 45.427 1.00 29.68 ? ? ? ? ? ? 259 VAL A CA 1 -ATOM 1979 C C . VAL A 1 259 ? 91.748 60.950 46.324 1.00 31.11 ? ? ? ? ? ? 259 VAL A C 1 -ATOM 1980 O O . VAL A 1 259 ? 90.586 61.338 46.538 1.00 30.19 ? ? ? ? ? ? 259 VAL A O 1 -ATOM 1981 C CB . VAL A 1 259 ? 91.856 58.389 46.182 1.00 26.70 ? ? ? ? ? ? 259 VAL A CB 1 -ATOM 1982 C CG1 . VAL A 1 259 ? 92.051 57.233 45.221 1.00 25.24 ? ? ? ? ? ? 259 VAL A CG1 1 -ATOM 1983 C CG2 . VAL A 1 259 ? 92.787 58.293 47.359 1.00 26.32 ? ? ? ? ? ? 259 VAL A CG2 1 -ATOM 1984 N N . GLU A 1 260 ? 92.817 61.593 46.793 1.00 32.73 ? ? ? ? ? ? 260 GLU A N 1 -ATOM 1985 C CA . GLU A 1 260 ? 92.673 62.761 47.668 1.00 33.37 ? ? ? ? ? ? 260 GLU A CA 1 -ATOM 1986 C C . GLU A 1 260 ? 91.786 63.765 46.962 1.00 32.00 ? ? ? ? ? ? 260 GLU A C 1 -ATOM 1987 O O . GLU A 1 260 ? 90.930 64.399 47.568 1.00 31.96 ? ? ? ? ? ? 260 GLU A O 1 -ATOM 1988 C CB . GLU A 1 260 ? 94.036 63.403 47.985 1.00 34.54 ? ? ? ? ? ? 260 GLU A CB 1 -ATOM 1989 C CG . GLU A 1 260 ? 93.990 64.230 49.274 1.00 37.56 ? ? ? ? ? ? 260 GLU A CG 1 -ATOM 1990 C CD . GLU A 1 260 ? 95.188 65.134 49.500 1.00 38.60 ? ? ? ? ? ? 260 GLU A CD 1 -ATOM 1991 O OE1 . GLU A 1 260 ? 96.134 65.120 48.684 1.00 40.54 ? ? ? ? ? ? 260 GLU A OE1 1 -ATOM 1992 O OE2 . GLU A 1 260 ? 95.170 65.870 50.507 1.00 38.75 ? ? ? ? ? ? 260 GLU A OE2 1 -ATOM 1993 N N . GLY A 1 261 ? 91.973 63.847 45.653 1.00 31.76 ? ? ? ? ? ? 261 GLY A N 1 -ATOM 1994 C CA . GLY A 1 261 ? 91.199 64.753 44.841 1.00 30.78 ? ? ? ? ? ? 261 GLY A CA 1 -ATOM 1995 C C . GLY A 1 261 ? 89.765 64.311 44.815 1.00 30.13 ? ? ? ? ? ? 261 GLY A C 1 -ATOM 1996 O O . GLY A 1 261 ? 88.895 65.041 45.262 1.00 31.91 ? ? ? ? ? ? 261 GLY A O 1 -ATOM 1997 N N . TYR A 1 262 ? 89.530 63.086 44.365 1.00 29.66 ? ? ? ? ? ? 262 TYR A N 1 -ATOM 1998 C CA . TYR A 1 262 ? 88.181 62.540 44.260 1.00 28.86 ? ? ? ? ? ? 262 TYR A CA 1 -ATOM 1999 C C . TYR A 1 262 ? 87.413 62.380 45.566 1.00 28.71 ? ? ? ? ? ? 262 TYR A C 1 -ATOM 2000 O O . TYR A 1 262 ? 87.249 61.273 46.062 1.00 30.30 ? ? ? ? ? ? 262 TYR A O 1 -ATOM 2001 C CB . TYR A 1 262 ? 88.212 61.203 43.531 1.00 27.27 ? ? ? ? ? ? 262 TYR A CB 1 -ATOM 2002 C CG . TYR A 1 262 ? 88.567 61.298 42.080 1.00 25.10 ? ? ? ? ? ? 262 TYR A CG 1 -ATOM 2003 C CD1 . TYR A 1 262 ? 89.870 61.557 41.677 1.00 25.01 ? ? ? ? ? ? 262 TYR A CD1 1 -ATOM 2004 C CD2 . TYR A 1 262 ? 87.608 61.073 41.103 1.00 23.85 ? ? ? ? ? ? 262 TYR A CD2 1 -ATOM 2005 C CE1 . TYR A 1 262 ? 90.215 61.580 40.320 1.00 25.67 ? ? ? ? ? ? 262 TYR A CE1 1 -ATOM 2006 C CE2 . TYR A 1 262 ? 87.935 61.096 39.752 1.00 23.68 ? ? ? ? ? ? 262 TYR A CE2 1 -ATOM 2007 C CZ . TYR A 1 262 ? 89.238 61.346 39.365 1.00 24.59 ? ? ? ? ? ? 262 TYR A CZ 1 -ATOM 2008 O OH . TYR A 1 262 ? 89.553 61.359 38.028 1.00 24.63 ? ? ? ? ? ? 262 TYR A OH 1 -ATOM 2009 N N . THR A 1 263 ? 86.934 63.485 46.113 1.00 28.84 ? ? ? ? ? ? 263 THR A N 1 -ATOM 2010 C CA . THR A 1 263 ? 86.154 63.466 47.342 1.00 29.42 ? ? ? ? ? ? 263 THR A CA 1 -ATOM 2011 C C . THR A 1 263 ? 84.729 63.016 46.971 1.00 29.53 ? ? ? ? ? ? 263 THR A C 1 -ATOM 2012 O O . THR A 1 263 ? 84.268 63.235 45.857 1.00 30.12 ? ? ? ? ? ? 263 THR A O 1 -ATOM 2013 C CB . THR A 1 263 ? 86.120 64.881 47.974 1.00 30.09 ? ? ? ? ? ? 263 THR A CB 1 -ATOM 2014 O OG1 . THR A 1 263 ? 85.338 65.765 47.158 1.00 32.06 ? ? ? ? ? ? 263 THR A OG1 1 -ATOM 2015 C CG2 . THR A 1 263 ? 87.524 65.452 48.050 1.00 29.74 ? ? ? ? ? ? 263 THR A CG2 1 -ATOM 2016 N N . PRO A 1 264 ? 84.001 62.413 47.905 1.00 29.77 ? ? ? ? ? ? 264 PRO A N 1 -ATOM 2017 C CA . PRO A 1 264 ? 82.640 61.967 47.594 1.00 30.60 ? ? ? ? ? ? 264 PRO A CA 1 -ATOM 2018 C C . PRO A 1 264 ? 81.844 63.050 46.875 1.00 30.50 ? ? ? ? ? ? 264 PRO A C 1 -ATOM 2019 O O . PRO A 1 264 ? 81.187 62.807 45.858 1.00 30.19 ? ? ? ? ? ? 264 PRO A O 1 -ATOM 2020 C CB . PRO A 1 264 ? 82.056 61.692 48.982 1.00 31.50 ? ? ? ? ? ? 264 PRO A CB 1 -ATOM 2021 C CG . PRO A 1 264 ? 83.243 61.207 49.743 1.00 32.40 ? ? ? ? ? ? 264 PRO A CG 1 -ATOM 2022 C CD . PRO A 1 264 ? 84.327 62.177 49.321 1.00 31.36 ? ? ? ? ? ? 264 PRO A CD 1 -ATOM 2023 N N . GLU A 1 265 ? 81.973 64.269 47.383 1.00 31.18 ? ? ? ? ? ? 265 GLU A N 1 -ATOM 2024 C CA . GLU A 1 265 ? 81.272 65.414 46.838 1.00 30.39 ? ? ? ? ? ? 265 GLU A CA 1 -ATOM 2025 C C . GLU A 1 265 ? 81.618 65.756 45.402 1.00 30.72 ? ? ? ? ? ? 265 GLU A C 1 -ATOM 2026 O O . GLU A 1 265 ? 80.722 65.978 44.604 1.00 31.30 ? ? ? ? ? ? 265 GLU A O 1 -ATOM 2027 C CB . GLU A 1 265 ? 81.467 66.618 47.734 1.00 29.48 ? ? ? ? ? ? 265 GLU A CB 1 -ATOM 2028 C CG . GLU A 1 265 ? 80.746 66.506 49.066 1.00 31.87 ? ? ? ? ? ? 265 GLU A CG 1 -ATOM 2029 C CD . GLU A 1 265 ? 81.424 65.572 50.078 1.00 33.16 ? ? ? ? ? ? 265 GLU A CD 1 -ATOM 2030 O OE1 . GLU A 1 265 ? 82.662 65.362 50.001 1.00 33.76 ? ? ? ? ? ? 265 GLU A OE1 1 -ATOM 2031 O OE2 . GLU A 1 265 ? 80.707 65.082 50.978 1.00 31.66 ? ? ? ? ? ? 265 GLU A OE2 1 -ATOM 2032 N N . SER A 1 266 ? 82.899 65.753 45.050 1.00 31.04 ? ? ? ? ? ? 266 SER A N 1 -ATOM 2033 C CA . SER A 1 266 ? 83.286 66.085 43.687 1.00 32.28 ? ? ? ? ? ? 266 SER A CA 1 -ATOM 2034 C C . SER A 1 266 ? 82.741 65.072 42.694 1.00 35.11 ? ? ? ? ? ? 266 SER A C 1 -ATOM 2035 O O . SER A 1 266 ? 82.713 65.327 41.484 1.00 36.35 ? ? ? ? ? ? 266 SER A O 1 -ATOM 2036 C CB . SER A 1 266 ? 84.806 66.181 43.558 1.00 31.48 ? ? ? ? ? ? 266 SER A CB 1 -ATOM 2037 O OG . SER A 1 266 ? 85.429 64.939 43.811 1.00 31.01 ? ? ? ? ? ? 266 SER A OG 1 -ATOM 2038 N N . VAL A 1 267 ? 82.244 63.948 43.210 1.00 37.47 ? ? ? ? ? ? 267 VAL A N 1 -ATOM 2039 C CA . VAL A 1 267 ? 81.716 62.889 42.357 1.00 38.58 ? ? ? ? ? ? 267 VAL A CA 1 -ATOM 2040 C C . VAL A 1 267 ? 80.198 62.918 42.146 1.00 38.70 ? ? ? ? ? ? 267 VAL A C 1 -ATOM 2041 O O . VAL A 1 267 ? 79.718 62.525 41.083 1.00 39.17 ? ? ? ? ? ? 267 VAL A O 1 -ATOM 2042 C CB . VAL A 1 267 ? 82.161 61.521 42.868 1.00 38.77 ? ? ? ? ? ? 267 VAL A CB 1 -ATOM 2043 C CG1 . VAL A 1 267 ? 82.100 60.525 41.763 1.00 40.07 ? ? ? ? ? ? 267 VAL A CG1 1 -ATOM 2044 C CG2 . VAL A 1 267 ? 83.580 61.598 43.368 1.00 40.39 ? ? ? ? ? ? 267 VAL A CG2 1 -ATOM 2045 N N . GLU A 1 268 ? 79.461 63.369 43.157 1.00 39.67 ? ? ? ? ? ? 268 GLU A N 1 -ATOM 2046 C CA . GLU A 1 268 ? 77.990 63.498 43.136 1.00 41.45 ? ? ? ? ? ? 268 GLU A CA 1 -ATOM 2047 C C . GLU A 1 268 ? 77.291 63.457 41.762 1.00 41.81 ? ? ? ? ? ? 268 GLU A C 1 -ATOM 2048 O O . GLU A 1 268 ? 76.488 62.582 41.481 1.00 42.19 ? ? ? ? ? ? 268 GLU A O 1 -ATOM 2049 C CB . GLU A 1 268 ? 77.591 64.827 43.795 1.00 42.23 ? ? ? ? ? ? 268 GLU A CB 1 -ATOM 2050 C CG . GLU A 1 268 ? 76.517 64.744 44.844 1.00 42.30 ? ? ? ? ? ? 268 GLU A CG 1 -ATOM 2051 C CD . GLU A 1 268 ? 77.087 64.574 46.227 1.00 43.21 ? ? ? ? ? ? 268 GLU A CD 1 -ATOM 2052 O OE1 . GLU A 1 268 ? 78.196 64.012 46.325 1.00 45.70 ? ? ? ? ? ? 268 GLU A OE1 1 -ATOM 2053 O OE2 . GLU A 1 268 ? 76.433 64.986 47.216 1.00 42.88 ? ? ? ? ? ? 268 GLU A OE2 1 -ATOM 2054 N N . ASP A 1 269 ? 77.590 64.432 40.917 1.00 42.25 ? ? ? ? ? ? 269 ASP A N 1 -ATOM 2055 C CA . ASP A 1 269 ? 76.959 64.527 39.610 1.00 42.45 ? ? ? ? ? ? 269 ASP A CA 1 -ATOM 2056 C C . ASP A 1 269 ? 77.390 63.497 38.568 1.00 41.95 ? ? ? ? ? ? 269 ASP A C 1 -ATOM 2057 O O . ASP A 1 269 ? 76.545 62.989 37.830 1.00 42.81 ? ? ? ? ? ? 269 ASP A O 1 -ATOM 2058 C CB . ASP A 1 269 ? 77.090 65.959 39.064 1.00 42.81 ? ? ? ? ? ? 269 ASP A CB 1 -ATOM 2059 C CG . ASP A 1 269 ? 76.425 66.993 39.975 1.00 44.37 ? ? ? ? ? ? 269 ASP A CG 1 -ATOM 2060 O OD1 . ASP A 1 269 ? 75.750 66.592 40.962 1.00 43.52 ? ? ? ? ? ? 269 ASP A OD1 1 -ATOM 2061 O OD2 . ASP A 1 269 ? 76.582 68.210 39.709 1.00 44.90 ? ? ? ? ? ? 269 ASP A OD2 1 -ATOM 2062 N N . ILE A 1 270 ? 78.689 63.207 38.475 1.00 40.35 ? ? ? ? ? ? 270 ILE A N 1 -ATOM 2063 C CA . ILE A 1 270 ? 79.158 62.231 37.495 1.00 38.06 ? ? ? ? ? ? 270 ILE A CA 1 -ATOM 2064 C C . ILE A 1 270 ? 78.607 60.855 37.838 1.00 37.00 ? ? ? ? ? ? 270 ILE A C 1 -ATOM 2065 O O . ILE A 1 270 ? 78.029 60.194 36.986 1.00 36.99 ? ? ? ? ? ? 270 ILE A O 1 -ATOM 2066 C CB . ILE A 1 270 ? 80.713 62.183 37.388 1.00 38.21 ? ? ? ? ? ? 270 ILE A CB 1 -ATOM 2067 C CG1 . ILE A 1 270 ? 81.237 63.416 36.641 1.00 37.43 ? ? ? ? ? ? 270 ILE A CG1 1 -ATOM 2068 C CG2 . ILE A 1 270 ? 81.171 60.913 36.656 1.00 37.71 ? ? ? ? ? ? 270 ILE A CG2 1 -ATOM 2069 C CD1 . ILE A 1 270 ? 82.738 63.364 36.333 1.00 35.11 ? ? ? ? ? ? 270 ILE A CD1 1 -ATOM 2070 N N . THR A 1 271 ? 78.770 60.427 39.083 1.00 35.63 ? ? ? ? ? ? 271 THR A N 1 -ATOM 2071 C CA . THR A 1 271 ? 78.255 59.119 39.465 1.00 35.37 ? ? ? ? ? ? 271 THR A CA 1 -ATOM 2072 C C . THR A 1 271 ? 76.752 59.106 39.573 1.00 33.56 ? ? ? ? ? ? 271 THR A C 1 -ATOM 2073 O O . THR A 1 271 ? 76.132 58.072 39.432 1.00 33.09 ? ? ? ? ? ? 271 THR A O 1 -ATOM 2074 C CB . THR A 1 271 ? 78.810 58.591 40.841 1.00 36.74 ? ? ? ? ? ? 271 THR A CB 1 -ATOM 2075 O OG1 . THR A 1 271 ? 78.607 59.551 41.896 1.00 35.56 ? ? ? ? ? ? 271 THR A OG1 1 -ATOM 2076 C CG2 . THR A 1 271 ? 80.266 58.216 40.723 1.00 37.11 ? ? ? ? ? ? 271 THR A CG2 1 -ATOM 2077 N N . GLY A 1 272 ? 76.169 60.255 39.856 1.00 33.25 ? ? ? ? ? ? 272 GLY A N 1 -ATOM 2078 C CA . GLY A 1 272 ? 74.737 60.302 40.049 1.00 32.70 ? ? ? ? ? ? 272 GLY A CA 1 -ATOM 2079 C C . GLY A 1 272 ? 74.438 59.657 41.401 1.00 32.40 ? ? ? ? ? ? 272 GLY A C 1 -ATOM 2080 O O . GLY A 1 272 ? 73.296 59.277 41.678 1.00 33.89 ? ? ? ? ? ? 272 GLY A O 1 -ATOM 2081 N N . VAL A 1 273 ? 75.465 59.498 42.234 1.00 30.22 ? ? ? ? ? ? 273 VAL A N 1 -ATOM 2082 C CA . VAL A 1 273 ? 75.289 58.910 43.558 1.00 30.57 ? ? ? ? ? ? 273 VAL A CA 1 -ATOM 2083 C C . VAL A 1 273 ? 75.691 59.957 44.600 1.00 31.12 ? ? ? ? ? ? 273 VAL A C 1 -ATOM 2084 O O . VAL A 1 273 ? 76.596 60.768 44.370 1.00 32.90 ? ? ? ? ? ? 273 VAL A O 1 -ATOM 2085 C CB . VAL A 1 273 ? 76.118 57.603 43.733 1.00 29.83 ? ? ? ? ? ? 273 VAL A CB 1 -ATOM 2086 C CG1 . VAL A 1 273 ? 75.880 57.001 45.104 1.00 28.06 ? ? ? ? ? ? 273 VAL A CG1 1 -ATOM 2087 C CG2 . VAL A 1 273 ? 75.735 56.592 42.661 1.00 29.69 ? ? ? ? ? ? 273 VAL A CG2 1 -ATOM 2088 N N . SER A 1 274 ? 75.028 59.947 45.748 1.00 30.47 ? ? ? ? ? ? 274 SER A N 1 -ATOM 2089 C CA . SER A 1 274 ? 75.314 60.937 46.772 1.00 30.10 ? ? ? ? ? ? 274 SER A CA 1 -ATOM 2090 C C . SER A 1 274 ? 76.518 60.617 47.628 1.00 30.14 ? ? ? ? ? ? 274 SER A C 1 -ATOM 2091 O O . SER A 1 274 ? 76.686 59.487 48.089 1.00 30.51 ? ? ? ? ? ? 274 SER A O 1 -ATOM 2092 C CB . SER A 1 274 ? 74.103 61.136 47.664 1.00 29.51 ? ? ? ? ? ? 274 SER A CB 1 -ATOM 2093 O OG . SER A 1 274 ? 73.823 59.941 48.357 1.00 31.37 ? ? ? ? ? ? 274 SER A OG 1 -ATOM 2094 N N . ALA A 1 275 ? 77.281 61.661 47.932 1.00 29.98 ? ? ? ? ? ? 275 ALA A N 1 -ATOM 2095 C CA . ALA A 1 275 ? 78.479 61.558 48.747 1.00 29.88 ? ? ? ? ? ? 275 ALA A CA 1 -ATOM 2096 C C . ALA A 1 275 ? 78.306 60.608 49.922 1.00 30.09 ? ? ? ? ? ? 275 ALA A C 1 -ATOM 2097 O O . ALA A 1 275 ? 79.223 59.850 50.249 1.00 30.90 ? ? ? ? ? ? 275 ALA A O 1 -ATOM 2098 C CB . ALA A 1 275 ? 78.891 62.926 49.230 1.00 28.95 ? ? ? ? ? ? 275 ALA A CB 1 -ATOM 2099 N N . SER A 1 276 ? 77.114 60.610 50.510 1.00 31.04 ? ? ? ? ? ? 276 SER A N 1 -ATOM 2100 C CA . SER A 1 276 ? 76.809 59.748 51.651 1.00 32.49 ? ? ? ? ? ? 276 SER A CA 1 -ATOM 2101 C C . SER A 1 276 ? 76.906 58.280 51.301 1.00 31.65 ? ? ? ? ? ? 276 SER A C 1 -ATOM 2102 O O . SER A 1 276 ? 77.662 57.545 51.938 1.00 31.71 ? ? ? ? ? ? 276 SER A O 1 -ATOM 2103 C CB . SER A 1 276 ? 75.415 60.033 52.220 1.00 33.99 ? ? ? ? ? ? 276 SER A CB 1 -ATOM 2104 O OG . SER A 1 276 ? 74.396 59.788 51.261 1.00 37.95 ? ? ? ? ? ? 276 SER A OG 1 -ATOM 2105 N N . GLU A 1 277 ? 76.128 57.849 50.312 1.00 31.20 ? ? ? ? ? ? 277 GLU A N 1 -ATOM 2106 C CA . GLU A 1 277 ? 76.153 56.453 49.894 1.00 31.58 ? ? ? ? ? ? 277 GLU A CA 1 -ATOM 2107 C C . GLU A 1 277 ? 77.605 56.042 49.666 1.00 30.71 ? ? ? ? ? ? 277 GLU A C 1 -ATOM 2108 O O . GLU A 1 277 ? 78.050 55.033 50.209 1.00 29.68 ? ? ? ? ? ? 277 GLU A O 1 -ATOM 2109 C CB . GLU A 1 277 ? 75.385 56.248 48.596 1.00 32.84 ? ? ? ? ? ? 277 GLU A CB 1 -ATOM 2110 C CG . GLU A 1 277 ? 73.907 56.461 48.659 1.00 34.26 ? ? ? ? ? ? 277 GLU A CG 1 -ATOM 2111 C CD . GLU A 1 277 ? 73.261 56.248 47.288 1.00 37.49 ? ? ? ? ? ? 277 GLU A CD 1 -ATOM 2112 O OE1 . GLU A 1 277 ? 73.231 55.080 46.810 1.00 38.46 ? ? ? ? ? ? 277 GLU A OE1 1 -ATOM 2113 O OE2 . GLU A 1 277 ? 72.816 57.253 46.676 1.00 37.08 ? ? ? ? ? ? 277 GLU A OE2 1 -ATOM 2114 N N . ILE A 1 278 ? 78.341 56.852 48.895 1.00 30.64 ? ? ? ? ? ? 278 ILE A N 1 -ATOM 2115 C CA . ILE A 1 278 ? 79.753 56.591 48.592 1.00 29.88 ? ? ? ? ? ? 278 ILE A CA 1 -ATOM 2116 C C . ILE A 1 278 ? 80.537 56.335 49.869 1.00 30.86 ? ? ? ? ? ? 278 ILE A C 1 -ATOM 2117 O O . ILE A 1 278 ? 81.337 55.390 49.923 1.00 29.10 ? ? ? ? ? ? 278 ILE A O 1 -ATOM 2118 C CB . ILE A 1 278 ? 80.413 57.750 47.833 1.00 28.18 ? ? ? ? ? ? 278 ILE A CB 1 -ATOM 2119 C CG1 . ILE A 1 278 ? 79.770 57.924 46.457 1.00 26.99 ? ? ? ? ? ? 278 ILE A CG1 1 -ATOM 2120 C CG2 . ILE A 1 278 ? 81.878 57.473 47.652 1.00 28.65 ? ? ? ? ? ? 278 ILE A CG2 1 -ATOM 2121 C CD1 . ILE A 1 278 ? 80.482 58.936 45.571 1.00 24.25 ? ? ? ? ? ? 278 ILE A CD1 1 -ATOM 2122 N N . ARG A 1 279 ? 80.261 57.154 50.892 1.00 32.68 ? ? ? ? ? ? 279 ARG A N 1 -ATOM 2123 C CA . ARG A 1 279 ? 80.890 57.047 52.217 1.00 34.97 ? ? ? ? ? ? 279 ARG A CA 1 -ATOM 2124 C C . ARG A 1 279 ? 80.475 55.775 52.952 1.00 35.56 ? ? ? ? ? ? 279 ARG A C 1 -ATOM 2125 O O . ARG A 1 279 ? 81.306 55.061 53.495 1.00 35.85 ? ? ? ? ? ? 279 ARG A O 1 -ATOM 2126 C CB . ARG A 1 279 ? 80.492 58.221 53.106 1.00 36.29 ? ? ? ? ? ? 279 ARG A CB 1 -ATOM 2127 C CG . ARG A 1 279 ? 81.235 59.513 52.883 1.00 38.75 ? ? ? ? ? ? 279 ARG A CG 1 -ATOM 2128 C CD . ARG A 1 279 ? 80.846 60.498 53.980 1.00 40.34 ? ? ? ? ? ? 279 ARG A CD 1 -ATOM 2129 N NE . ARG A 1 279 ? 80.904 61.886 53.530 1.00 43.42 ? ? ? ? ? ? 279 ARG A NE 1 -ATOM 2130 C CZ . ARG A 1 279 ? 81.989 62.470 53.023 1.00 44.95 ? ? ? ? ? ? 279 ARG A CZ 1 -ATOM 2131 N NH1 . ARG A 1 279 ? 83.131 61.798 52.887 1.00 44.52 ? ? ? ? ? ? 279 ARG A NH1 1 -ATOM 2132 N NH2 . ARG A 1 279 ? 81.935 63.744 52.665 1.00 45.91 ? ? ? ? ? ? 279 ARG A NH2 1 -ATOM 2133 N N . GLN A 1 280 ? 79.174 55.545 53.019 1.00 35.55 ? ? ? ? ? ? 280 GLN A N 1 -ATOM 2134 C CA . GLN A 1 280 ? 78.612 54.384 53.676 1.00 36.40 ? ? ? ? ? ? 280 GLN A CA 1 -ATOM 2135 C C . GLN A 1 280 ? 79.005 53.079 52.989 1.00 35.83 ? ? ? ? ? ? 280 GLN A C 1 -ATOM 2136 O O . GLN A 1 280 ? 79.072 52.033 53.636 1.00 36.39 ? ? ? ? ? ? 280 GLN A O 1 -ATOM 2137 C CB . GLN A 1 280 ? 77.087 54.521 53.699 1.00 39.76 ? ? ? ? ? ? 280 GLN A CB 1 -ATOM 2138 C CG . GLN A 1 280 ? 76.316 53.244 54.046 1.00 43.24 ? ? ? ? ? ? 280 GLN A CG 1 -ATOM 2139 C CD . GLN A 1 280 ? 74.808 53.434 54.002 1.00 44.86 ? ? ? ? ? ? 280 GLN A CD 1 -ATOM 2140 O OE1 . GLN A 1 280 ? 74.051 52.461 54.050 1.00 46.34 ? ? ? ? ? ? 280 GLN A OE1 1 -ATOM 2141 N NE2 . GLN A 1 280 ? 74.360 54.691 53.912 1.00 45.69 ? ? ? ? ? ? 280 GLN A NE2 1 -ATOM 2142 N N . ALA A 1 281 ? 79.249 53.135 51.682 1.00 34.63 ? ? ? ? ? ? 281 ALA A N 1 -ATOM 2143 C CA . ALA A 1 281 ? 79.616 51.943 50.915 1.00 32.95 ? ? ? ? ? ? 281 ALA A CA 1 -ATOM 2144 C C . ALA A 1 281 ? 81.079 51.595 51.144 1.00 31.72 ? ? ? ? ? ? 281 ALA A C 1 -ATOM 2145 O O . ALA A 1 281 ? 81.417 50.446 51.418 1.00 31.23 ? ? ? ? ? ? 281 ALA A O 1 -ATOM 2146 C CB . ALA A 1 281 ? 79.352 52.158 49.429 1.00 31.76 ? ? ? ? ? ? 281 ALA A CB 1 -ATOM 2147 N N . ALA A 1 282 ? 81.944 52.600 51.027 1.00 30.93 ? ? ? ? ? ? 282 ALA A N 1 -ATOM 2148 C CA . ALA A 1 282 ? 83.374 52.406 51.223 1.00 28.58 ? ? ? ? ? ? 282 ALA A CA 1 -ATOM 2149 C C . ALA A 1 282 ? 83.553 51.988 52.668 1.00 27.02 ? ? ? ? ? ? 282 ALA A C 1 -ATOM 2150 O O . ALA A 1 282 ? 84.248 51.020 52.961 1.00 26.90 ? ? ? ? ? ? 282 ALA A O 1 -ATOM 2151 C CB . ALA A 1 282 ? 84.124 53.694 50.928 1.00 28.75 ? ? ? ? ? ? 282 ALA A CB 1 -ATOM 2152 N N . ARG A 1 283 ? 82.864 52.696 53.556 1.00 25.79 ? ? ? ? ? ? 283 ARG A N 1 -ATOM 2153 C CA . ARG A 1 283 ? 82.887 52.415 54.984 1.00 25.16 ? ? ? ? ? ? 283 ARG A CA 1 -ATOM 2154 C C . ARG A 1 283 ? 82.455 50.972 55.216 1.00 24.74 ? ? ? ? ? ? 283 ARG A C 1 -ATOM 2155 O O . ARG A 1 283 ? 83.076 50.246 55.989 1.00 25.32 ? ? ? ? ? ? 283 ARG A O 1 -ATOM 2156 C CB . ARG A 1 283 ? 81.892 53.314 55.723 1.00 25.91 ? ? ? ? ? ? 283 ARG A CB 1 -ATOM 2157 C CG . ARG A 1 283 ? 82.345 54.715 56.075 1.00 26.93 ? ? ? ? ? ? 283 ARG A CG 1 -ATOM 2158 C CD . ARG A 1 283 ? 81.704 55.062 57.406 1.00 30.14 ? ? ? ? ? ? 283 ARG A CD 1 -ATOM 2159 N NE . ARG A 1 283 ? 81.870 56.442 57.831 1.00 31.57 ? ? ? ? ? ? 283 ARG A NE 1 -ATOM 2160 C CZ . ARG A 1 283 ? 81.368 57.487 57.187 1.00 34.22 ? ? ? ? ? ? 283 ARG A CZ 1 -ATOM 2161 N NH1 . ARG A 1 283 ? 80.676 57.324 56.068 1.00 34.70 ? ? ? ? ? ? 283 ARG A NH1 1 -ATOM 2162 N NH2 . ARG A 1 283 ? 81.506 58.700 57.705 1.00 36.45 ? ? ? ? ? ? 283 ARG A NH2 1 -ATOM 2163 N N . MET A 1 284 ? 81.375 50.571 54.556 1.00 23.43 ? ? ? ? ? ? 284 MET A N 1 -ATOM 2164 C CA . MET A 1 284 ? 80.860 49.226 54.707 1.00 23.90 ? ? ? ? ? ? 284 MET A CA 1 -ATOM 2165 C C . MET A 1 284 ? 81.887 48.202 54.236 1.00 23.90 ? ? ? ? ? ? 284 MET A C 1 -ATOM 2166 O O . MET A 1 284 ? 82.337 47.371 55.025 1.00 25.22 ? ? ? ? ? ? 284 MET A O 1 -ATOM 2167 C CB . MET A 1 284 ? 79.520 49.048 53.955 1.00 24.99 ? ? ? ? ? ? 284 MET A CB 1 -ATOM 2168 C CG . MET A 1 284 ? 78.466 48.217 54.733 1.00 27.34 ? ? ? ? ? ? 284 MET A CG 1 -ATOM 2169 S SD . MET A 1 284 ? 76.968 47.679 53.840 1.00 28.58 ? ? ? ? ? ? 284 MET A SD 1 -ATOM 2170 C CE . MET A 1 284 ? 75.864 49.048 54.217 1.00 28.21 ? ? ? ? ? ? 284 MET A CE 1 -ATOM 2171 N N . TYR A 1 285 ? 82.293 48.298 52.971 1.00 23.36 ? ? ? ? ? ? 285 TYR A N 1 -ATOM 2172 C CA . TYR A 1 285 ? 83.260 47.373 52.375 1.00 22.84 ? ? ? ? ? ? 285 TYR A CA 1 -ATOM 2173 C C . TYR A 1 285 ? 84.505 47.171 53.232 1.00 22.82 ? ? ? ? ? ? 285 TYR A C 1 -ATOM 2174 O O . TYR A 1 285 ? 84.869 46.042 53.549 1.00 21.44 ? ? ? ? ? ? 285 TYR A O 1 -ATOM 2175 C CB . TYR A 1 285 ? 83.651 47.845 50.970 1.00 21.62 ? ? ? ? ? ? 285 TYR A CB 1 -ATOM 2176 C CG . TYR A 1 285 ? 84.747 47.020 50.331 1.00 21.39 ? ? ? ? ? ? 285 TYR A CG 1 -ATOM 2177 C CD1 . TYR A 1 285 ? 84.492 45.736 49.846 1.00 20.54 ? ? ? ? ? ? 285 TYR A CD1 1 -ATOM 2178 C CD2 . TYR A 1 285 ? 86.052 47.514 50.247 1.00 22.33 ? ? ? ? ? ? 285 TYR A CD2 1 -ATOM 2179 C CE1 . TYR A 1 285 ? 85.510 44.962 49.300 1.00 22.17 ? ? ? ? ? ? 285 TYR A CE1 1 -ATOM 2180 C CE2 . TYR A 1 285 ? 87.083 46.749 49.703 1.00 23.00 ? ? ? ? ? ? 285 TYR A CE2 1 -ATOM 2181 C CZ . TYR A 1 285 ? 86.812 45.473 49.235 1.00 23.40 ? ? ? ? ? ? 285 TYR A CZ 1 -ATOM 2182 O OH . TYR A 1 285 ? 87.852 44.707 48.749 1.00 22.80 ? ? ? ? ? ? 285 TYR A OH 1 -ATOM 2183 N N . ALA A 1 286 ? 85.128 48.280 53.618 1.00 24.60 ? ? ? ? ? ? 286 ALA A N 1 -ATOM 2184 C CA . ALA A 1 286 ? 86.335 48.284 54.440 1.00 25.21 ? ? ? ? ? ? 286 ALA A CA 1 -ATOM 2185 C C . ALA A 1 286 ? 86.101 47.718 55.833 1.00 25.89 ? ? ? ? ? ? 286 ALA A C 1 -ATOM 2186 O O . ALA A 1 286 ? 87.048 47.301 56.502 1.00 27.07 ? ? ? ? ? ? 286 ALA A O 1 -ATOM 2187 C CB . ALA A 1 286 ? 86.872 49.697 54.559 1.00 25.02 ? ? ? ? ? ? 286 ALA A CB 1 -ATOM 2188 N N . GLN A 1 287 ? 84.853 47.718 56.288 1.00 25.20 ? ? ? ? ? ? 287 GLN A N 1 -ATOM 2189 C CA . GLN A 1 287 ? 84.567 47.216 57.615 1.00 23.95 ? ? ? ? ? ? 287 GLN A CA 1 -ATOM 2190 C C . GLN A 1 287 ? 84.361 45.706 57.720 1.00 22.83 ? ? ? ? ? ? 287 GLN A C 1 -ATOM 2191 O O . GLN A 1 287 ? 84.579 45.125 58.787 1.00 23.03 ? ? ? ? ? ? 287 GLN A O 1 -ATOM 2192 C CB . GLN A 1 287 ? 83.410 47.991 58.238 1.00 25.41 ? ? ? ? ? ? 287 GLN A CB 1 -ATOM 2193 C CG . GLN A 1 287 ? 83.825 48.892 59.413 1.00 30.79 ? ? ? ? ? ? 287 GLN A CG 1 -ATOM 2194 C CD . GLN A 1 287 ? 84.408 50.252 59.004 1.00 34.09 ? ? ? ? ? ? 287 GLN A CD 1 -ATOM 2195 O OE1 . GLN A 1 287 ? 83.884 51.316 59.389 1.00 33.40 ? ? ? ? ? ? 287 GLN A OE1 1 -ATOM 2196 N NE2 . GLN A 1 287 ? 85.521 50.226 58.265 1.00 35.30 ? ? ? ? ? ? 287 GLN A NE2 1 -ATOM 2197 N N . ALA A 1 288 ? 83.972 45.060 56.626 1.00 21.67 ? ? ? ? ? ? 288 ALA A N 1 -ATOM 2198 C CA . ALA A 1 288 ? 83.756 43.607 56.638 1.00 20.96 ? ? ? ? ? ? 288 ALA A CA 1 -ATOM 2199 C C . ALA A 1 288 ? 85.041 42.892 57.007 1.00 21.35 ? ? ? ? ? ? 288 ALA A C 1 -ATOM 2200 O O . ALA A 1 288 ? 86.087 43.238 56.467 1.00 22.56 ? ? ? ? ? ? 288 ALA A O 1 -ATOM 2201 C CB . ALA A 1 288 ? 83.312 43.141 55.285 1.00 20.72 ? ? ? ? ? ? 288 ALA A CB 1 -ATOM 2202 N N . LYS A 1 289 ? 84.982 41.910 57.915 1.00 20.95 ? ? ? ? ? ? 289 LYS A N 1 -ATOM 2203 C CA . LYS A 1 289 ? 86.192 41.169 58.292 1.00 19.68 ? ? ? ? ? ? 289 LYS A CA 1 -ATOM 2204 C C . LYS A 1 289 ? 86.792 40.574 57.016 1.00 19.10 ? ? ? ? ? ? 289 LYS A C 1 -ATOM 2205 O O . LYS A 1 289 ? 88.004 40.519 56.854 1.00 19.45 ? ? ? ? ? ? 289 LYS A O 1 -ATOM 2206 C CB . LYS A 1 289 ? 85.885 40.059 59.299 1.00 21.45 ? ? ? ? ? ? 289 LYS A CB 1 -ATOM 2207 C CG . LYS A 1 289 ? 85.333 40.522 60.642 1.00 26.93 ? ? ? ? ? ? 289 LYS A CG 1 -ATOM 2208 C CD . LYS A 1 289 ? 84.721 39.343 61.451 1.00 30.93 ? ? ? ? ? ? 289 LYS A CD 1 -ATOM 2209 C CE . LYS A 1 289 ? 84.111 39.771 62.810 1.00 33.75 ? ? ? ? ? ? 289 LYS A CE 1 -ATOM 2210 N NZ . LYS A 1 289 ? 85.075 39.866 63.981 1.00 34.73 ? ? ? ? ? ? 289 LYS A NZ 1 -ATOM 2211 N N . SER A 1 290 ? 85.923 40.125 56.119 1.00 17.94 ? ? ? ? ? ? 290 SER A N 1 -ATOM 2212 C CA . SER A 1 290 ? 86.316 39.569 54.838 1.00 16.95 ? ? ? ? ? ? 290 SER A CA 1 -ATOM 2213 C C . SER A 1 290 ? 85.266 40.061 53.879 1.00 17.90 ? ? ? ? ? ? 290 SER A C 1 -ATOM 2214 O O . SER A 1 290 ? 84.074 39.955 54.183 1.00 19.76 ? ? ? ? ? ? 290 SER A O 1 -ATOM 2215 C CB . SER A 1 290 ? 86.290 38.057 54.882 1.00 17.12 ? ? ? ? ? ? 290 SER A CB 1 -ATOM 2216 O OG . SER A 1 290 ? 87.420 37.580 55.587 1.00 21.01 ? ? ? ? ? ? 290 SER A OG 1 -ATOM 2217 N N . ALA A 1 291 ? 85.693 40.637 52.756 1.00 16.88 ? ? ? ? ? ? 291 ALA A N 1 -ATOM 2218 C CA . ALA A 1 291 ? 84.780 41.163 51.743 1.00 16.06 ? ? ? ? ? ? 291 ALA A CA 1 -ATOM 2219 C C . ALA A 1 291 ? 85.277 40.715 50.389 1.00 15.25 ? ? ? ? ? ? 291 ALA A C 1 -ATOM 2220 O O . ALA A 1 291 ? 86.470 40.794 50.127 1.00 18.00 ? ? ? ? ? ? 291 ALA A O 1 -ATOM 2221 C CB . ALA A 1 291 ? 84.760 42.681 51.814 1.00 17.69 ? ? ? ? ? ? 291 ALA A CB 1 -ATOM 2222 N N . ALA A 1 292 ? 84.398 40.232 49.527 1.00 14.24 ? ? ? ? ? ? 292 ALA A N 1 -ATOM 2223 C CA . ALA A 1 292 ? 84.837 39.767 48.219 1.00 13.66 ? ? ? ? ? ? 292 ALA A CA 1 -ATOM 2224 C C . ALA A 1 292 ? 84.226 40.560 47.091 1.00 13.61 ? ? ? ? ? ? 292 ALA A C 1 -ATOM 2225 O O . ALA A 1 292 ? 83.019 40.837 47.105 1.00 13.11 ? ? ? ? ? ? 292 ALA A O 1 -ATOM 2226 C CB . ALA A 1 292 ? 84.510 38.279 48.033 1.00 14.95 ? ? ? ? ? ? 292 ALA A CB 1 -ATOM 2227 N N . ILE A 1 293 ? 85.051 40.883 46.092 1.00 12.18 ? ? ? ? ? ? 293 ILE A N 1 -ATOM 2228 C CA . ILE A 1 293 ? 84.586 41.629 44.935 1.00 11.45 ? ? ? ? ? ? 293 ILE A CA 1 -ATOM 2229 C C . ILE A 1 293 ? 84.214 40.707 43.769 1.00 11.17 ? ? ? ? ? ? 293 ILE A C 1 -ATOM 2230 O O . ILE A 1 293 ? 85.070 39.970 43.278 1.00 11.56 ? ? ? ? ? ? 293 ILE A O 1 -ATOM 2231 C CB . ILE A 1 293 ? 85.645 42.660 44.465 1.00 10.14 ? ? ? ? ? ? 293 ILE A CB 1 -ATOM 2232 C CG1 . ILE A 1 293 ? 85.862 43.714 45.558 1.00 10.83 ? ? ? ? ? ? 293 ILE A CG1 1 -ATOM 2233 C CG2 . ILE A 1 293 ? 85.186 43.334 43.182 1.00 8.68 ? ? ? ? ? ? 293 ILE A CG2 1 -ATOM 2234 C CD1 . ILE A 1 293 ? 86.958 44.740 45.271 1.00 11.51 ? ? ? ? ? ? 293 ILE A CD1 1 -ATOM 2235 N N . LEU A 1 294 ? 82.937 40.676 43.388 1.00 9.09 ? ? ? ? ? ? 294 LEU A N 1 -ATOM 2236 C CA . LEU A 1 294 ? 82.531 39.876 42.241 1.00 9.51 ? ? ? ? ? ? 294 LEU A CA 1 -ATOM 2237 C C . LEU A 1 294 ? 82.194 40.903 41.177 1.00 10.70 ? ? ? ? ? ? 294 LEU A C 1 -ATOM 2238 O O . LEU A 1 294 ? 81.353 41.797 41.413 1.00 11.33 ? ? ? ? ? ? 294 LEU A O 1 -ATOM 2239 C CB . LEU A 1 294 ? 81.299 39.028 42.529 1.00 10.99 ? ? ? ? ? ? 294 LEU A CB 1 -ATOM 2240 C CG . LEU A 1 294 ? 81.241 38.175 43.800 1.00 12.77 ? ? ? ? ? ? 294 LEU A CG 1 -ATOM 2241 C CD1 . LEU A 1 294 ? 79.877 37.527 43.840 1.00 12.77 ? ? ? ? ? ? 294 LEU A CD1 1 -ATOM 2242 C CD2 . LEU A 1 294 ? 82.329 37.124 43.827 1.00 13.30 ? ? ? ? ? ? 294 LEU A CD2 1 -ATOM 2243 N N . TRP A 1 295 ? 82.850 40.809 40.019 1.00 10.09 ? ? ? ? ? ? 295 TRP A N 1 -ATOM 2244 C CA . TRP A 1 295 ? 82.596 41.772 38.942 1.00 10.78 ? ? ? ? ? ? 295 TRP A CA 1 -ATOM 2245 C C . TRP A 1 295 ? 82.512 41.100 37.581 1.00 10.60 ? ? ? ? ? ? 295 TRP A C 1 -ATOM 2246 O O . TRP A 1 295 ? 82.896 39.937 37.436 1.00 11.66 ? ? ? ? ? ? 295 TRP A O 1 -ATOM 2247 C CB . TRP A 1 295 ? 83.654 42.897 38.955 1.00 10.75 ? ? ? ? ? ? 295 TRP A CB 1 -ATOM 2248 C CG . TRP A 1 295 ? 84.993 42.577 38.331 1.00 9.80 ? ? ? ? ? ? 295 TRP A CG 1 -ATOM 2249 C CD1 . TRP A 1 295 ? 85.250 42.343 37.003 1.00 9.47 ? ? ? ? ? ? 295 TRP A CD1 1 -ATOM 2250 C CD2 . TRP A 1 295 ? 86.259 42.536 38.996 1.00 8.98 ? ? ? ? ? ? 295 TRP A CD2 1 -ATOM 2251 N NE1 . TRP A 1 295 ? 86.601 42.172 36.807 1.00 10.31 ? ? ? ? ? ? 295 TRP A NE1 1 -ATOM 2252 C CE2 . TRP A 1 295 ? 87.245 42.283 38.012 1.00 9.55 ? ? ? ? ? ? 295 TRP A CE2 1 -ATOM 2253 C CE3 . TRP A 1 295 ? 86.660 42.694 40.323 1.00 10.15 ? ? ? ? ? ? 295 TRP A CE3 1 -ATOM 2254 C CZ2 . TRP A 1 295 ? 88.608 42.187 38.317 1.00 8.66 ? ? ? ? ? ? 295 TRP A CZ2 1 -ATOM 2255 C CZ3 . TRP A 1 295 ? 88.027 42.599 40.627 1.00 10.43 ? ? ? ? ? ? 295 TRP A CZ3 1 -ATOM 2256 C CH2 . TRP A 1 295 ? 88.980 42.348 39.622 1.00 9.02 ? ? ? ? ? ? 295 TRP A CH2 1 -ATOM 2257 N N . GLY A 1 296 ? 82.041 41.837 36.582 1.00 11.23 ? ? ? ? ? ? 296 GLY A N 1 -ATOM 2258 C CA . GLY A 1 296 ? 81.909 41.259 35.251 1.00 13.08 ? ? ? ? ? ? 296 GLY A CA 1 -ATOM 2259 C C . GLY A 1 296 ? 82.094 42.195 34.063 1.00 13.69 ? ? ? ? ? ? 296 GLY A C 1 -ATOM 2260 O O . GLY A 1 296 ? 83.113 42.881 33.939 1.00 11.26 ? ? ? ? ? ? 296 GLY A O 1 -ATOM 2261 N N . MET A 1 297 ? 81.091 42.231 33.190 1.00 14.95 ? ? ? ? ? ? 297 MET A N 1 -ATOM 2262 C CA . MET A 1 297 ? 81.143 43.069 31.986 1.00 16.36 ? ? ? ? ? ? 297 MET A CA 1 -ATOM 2263 C C . MET A 1 297 ? 80.776 44.552 32.165 1.00 15.69 ? ? ? ? ? ? 297 MET A C 1 -ATOM 2264 O O . MET A 1 297 ? 81.013 45.365 31.275 1.00 16.13 ? ? ? ? ? ? 297 MET A O 1 -ATOM 2265 C CB . MET A 1 297 ? 80.302 42.446 30.866 1.00 17.96 ? ? ? ? ? ? 297 MET A CB 1 -ATOM 2266 C CG . MET A 1 297 ? 80.618 40.982 30.588 1.00 18.53 ? ? ? ? ? ? 297 MET A CG 1 -ATOM 2267 S SD . MET A 1 297 ? 82.411 40.607 30.457 1.00 20.12 ? ? ? ? ? ? 297 MET A SD 1 -ATOM 2268 C CE . MET A 1 297 ? 82.496 40.660 28.706 1.00 18.51 ? ? ? ? ? ? 297 MET A CE 1 -ATOM 2269 N N . GLY A 1 298 ? 80.222 44.909 33.316 1.00 15.30 ? ? ? ? ? ? 298 GLY A N 1 -ATOM 2270 C CA . GLY A 1 298 ? 79.885 46.292 33.562 1.00 14.75 ? ? ? ? ? ? 298 GLY A CA 1 -ATOM 2271 C C . GLY A 1 298 ? 81.185 47.026 33.797 1.00 16.41 ? ? ? ? ? ? 298 GLY A C 1 -ATOM 2272 O O . GLY A 1 298 ? 81.222 48.260 33.935 1.00 18.49 ? ? ? ? ? ? 298 GLY A O 1 -ATOM 2273 N N . VAL A 1 299 ? 82.261 46.248 33.876 1.00 15.84 ? ? ? ? ? ? 299 VAL A N 1 -ATOM 2274 C CA . VAL A 1 299 ? 83.600 46.769 34.088 1.00 14.06 ? ? ? ? ? ? 299 VAL A CA 1 -ATOM 2275 C C . VAL A 1 299 ? 84.431 46.655 32.807 1.00 15.54 ? ? ? ? ? ? 299 VAL A C 1 -ATOM 2276 O O . VAL A 1 299 ? 84.796 47.647 32.172 1.00 16.27 ? ? ? ? ? ? 299 VAL A O 1 -ATOM 2277 C CB . VAL A 1 299 ? 84.305 45.980 35.233 1.00 11.39 ? ? ? ? ? ? 299 VAL A CB 1 -ATOM 2278 C CG1 . VAL A 1 299 ? 85.780 46.332 35.326 1.00 11.32 ? ? ? ? ? ? 299 VAL A CG1 1 -ATOM 2279 C CG2 . VAL A 1 299 ? 83.626 46.262 36.549 1.00 10.66 ? ? ? ? ? ? 299 VAL A CG2 1 -ATOM 2280 N N . THR A 1 300 ? 84.651 45.425 32.392 1.00 16.80 ? ? ? ? ? ? 300 THR A N 1 -ATOM 2281 C CA . THR A 1 300 ? 85.489 45.151 31.256 1.00 19.29 ? ? ? ? ? ? 300 THR A CA 1 -ATOM 2282 C C . THR A 1 300 ? 85.115 45.726 29.904 1.00 22.11 ? ? ? ? ? ? 300 THR A C 1 -ATOM 2283 O O . THR A 1 300 ? 85.977 46.251 29.191 1.00 23.00 ? ? ? ? ? ? 300 THR A O 1 -ATOM 2284 C CB . THR A 1 300 ? 85.761 43.642 31.170 1.00 18.27 ? ? ? ? ? ? 300 THR A CB 1 -ATOM 2285 O OG1 . THR A 1 300 ? 84.515 42.926 31.177 1.00 20.68 ? ? ? ? ? ? 300 THR A OG1 1 -ATOM 2286 C CG2 . THR A 1 300 ? 86.595 43.202 32.365 1.00 14.87 ? ? ? ? ? ? 300 THR A CG2 1 -ATOM 2287 N N . GLN A 1 301 ? 83.838 45.680 29.559 1.00 25.80 ? ? ? ? ? ? 301 GLN A N 1 -ATOM 2288 C CA . GLN A 1 301 ? 83.400 46.172 28.248 1.00 29.70 ? ? ? ? ? ? 301 GLN A CA 1 -ATOM 2289 C C . GLN A 1 301 ? 83.249 47.681 28.059 1.00 30.69 ? ? ? ? ? ? 301 GLN A C 1 -ATOM 2290 O O . GLN A 1 301 ? 82.346 48.162 27.358 1.00 29.90 ? ? ? ? ? ? 301 GLN A O 1 -ATOM 2291 C CB . GLN A 1 301 ? 82.163 45.404 27.790 1.00 30.61 ? ? ? ? ? ? 301 GLN A CB 1 -ATOM 2292 C CG . GLN A 1 301 ? 82.530 43.963 27.501 1.00 31.60 ? ? ? ? ? ? 301 GLN A CG 1 -ATOM 2293 C CD . GLN A 1 301 ? 81.367 43.137 27.056 1.00 32.73 ? ? ? ? ? ? 301 GLN A CD 1 -ATOM 2294 O OE1 . GLN A 1 301 ? 80.215 43.428 27.400 1.00 32.27 ? ? ? ? ? ? 301 GLN A OE1 1 -ATOM 2295 N NE2 . GLN A 1 301 ? 81.655 42.084 26.288 1.00 31.63 ? ? ? ? ? ? 301 GLN A NE2 1 -ATOM 2296 N N . PHE A 1 302 ? 84.195 48.389 28.664 1.00 31.62 ? ? ? ? ? ? 302 PHE A N 1 -ATOM 2297 C CA . PHE A 1 302 ? 84.318 49.830 28.630 1.00 32.71 ? ? ? ? ? ? 302 PHE A CA 1 -ATOM 2298 C C . PHE A 1 302 ? 85.814 50.020 28.362 1.00 34.52 ? ? ? ? ? ? 302 PHE A C 1 -ATOM 2299 O O . PHE A 1 302 ? 86.633 49.426 29.065 1.00 36.53 ? ? ? ? ? ? 302 PHE A O 1 -ATOM 2300 C CB . PHE A 1 302 ? 83.981 50.409 30.001 1.00 32.05 ? ? ? ? ? ? 302 PHE A CB 1 -ATOM 2301 C CG . PHE A 1 302 ? 82.501 50.624 30.246 1.00 31.43 ? ? ? ? ? ? 302 PHE A CG 1 -ATOM 2302 C CD1 . PHE A 1 302 ? 81.801 51.615 29.555 1.00 30.67 ? ? ? ? ? ? 302 PHE A CD1 1 -ATOM 2303 C CD2 . PHE A 1 302 ? 81.840 49.922 31.248 1.00 28.61 ? ? ? ? ? ? 302 PHE A CD2 1 -ATOM 2304 C CE1 . PHE A 1 302 ? 80.482 51.905 29.866 1.00 28.50 ? ? ? ? ? ? 302 PHE A CE1 1 -ATOM 2305 C CE2 . PHE A 1 302 ? 80.530 50.210 31.560 1.00 27.41 ? ? ? ? ? ? 302 PHE A CE2 1 -ATOM 2306 C CZ . PHE A 1 302 ? 79.849 51.204 30.873 1.00 28.48 ? ? ? ? ? ? 302 PHE A CZ 1 -ATOM 2307 N N . TYR A 1 303 ? 86.183 50.850 27.383 1.00 34.72 ? ? ? ? ? ? 303 TYR A N 1 -ATOM 2308 C CA . TYR A 1 303 ? 87.596 51.061 27.053 1.00 32.97 ? ? ? ? ? ? 303 TYR A CA 1 -ATOM 2309 C C . TYR A 1 303 ? 88.486 51.478 28.238 1.00 30.58 ? ? ? ? ? ? 303 TYR A C 1 -ATOM 2310 O O . TYR A 1 303 ? 89.680 51.191 28.252 1.00 30.48 ? ? ? ? ? ? 303 TYR A O 1 -ATOM 2311 C CB . TYR A 1 303 ? 87.739 51.991 25.832 1.00 36.19 ? ? ? ? ? ? 303 TYR A CB 1 -ATOM 2312 C CG . TYR A 1 303 ? 88.149 53.410 26.121 1.00 39.19 ? ? ? ? ? ? 303 TYR A CG 1 -ATOM 2313 C CD1 . TYR A 1 303 ? 87.287 54.281 26.797 1.00 42.46 ? ? ? ? ? ? 303 TYR A CD1 1 -ATOM 2314 C CD2 . TYR A 1 303 ? 89.418 53.875 25.767 1.00 40.25 ? ? ? ? ? ? 303 TYR A CD2 1 -ATOM 2315 C CE1 . TYR A 1 303 ? 87.683 55.590 27.128 1.00 42.26 ? ? ? ? ? ? 303 TYR A CE1 1 -ATOM 2316 C CE2 . TYR A 1 303 ? 89.823 55.166 26.092 1.00 41.74 ? ? ? ? ? ? 303 TYR A CE2 1 -ATOM 2317 C CZ . TYR A 1 303 ? 88.947 56.016 26.778 1.00 42.87 ? ? ? ? ? ? 303 TYR A CZ 1 -ATOM 2318 O OH . TYR A 1 303 ? 89.344 57.277 27.152 1.00 45.82 ? ? ? ? ? ? 303 TYR A OH 1 -ATOM 2319 N N . GLN A 1 304 ? 87.892 52.089 29.259 1.00 28.40 ? ? ? ? ? ? 304 GLN A N 1 -ATOM 2320 C CA . GLN A 1 304 ? 88.632 52.490 30.459 1.00 25.92 ? ? ? ? ? ? 304 GLN A CA 1 -ATOM 2321 C C . GLN A 1 304 ? 88.559 51.314 31.467 1.00 23.69 ? ? ? ? ? ? 304 GLN A C 1 -ATOM 2322 O O . GLN A 1 304 ? 88.782 51.494 32.670 1.00 23.09 ? ? ? ? ? ? 304 GLN A O 1 -ATOM 2323 C CB . GLN A 1 304 ? 87.980 53.740 31.075 1.00 27.67 ? ? ? ? ? ? 304 GLN A CB 1 -ATOM 2324 C CG . GLN A 1 304 ? 88.933 54.869 31.494 1.00 29.64 ? ? ? ? ? ? 304 GLN A CG 1 -ATOM 2325 C CD . GLN A 1 304 ? 88.591 55.497 32.862 1.00 31.23 ? ? ? ? ? ? 304 GLN A CD 1 -ATOM 2326 O OE1 . GLN A 1 304 ? 87.433 55.798 33.173 1.00 32.05 ? ? ? ? ? ? 304 GLN A OE1 1 -ATOM 2327 N NE2 . GLN A 1 304 ? 89.615 55.714 33.671 1.00 33.84 ? ? ? ? ? ? 304 GLN A NE2 1 -ATOM 2328 N N . GLY A 1 305 ? 88.315 50.109 30.951 1.00 20.61 ? ? ? ? ? ? 305 GLY A N 1 -ATOM 2329 C CA . GLY A 1 305 ? 88.158 48.917 31.773 1.00 19.61 ? ? ? ? ? ? 305 GLY A CA 1 -ATOM 2330 C C . GLY A 1 305 ? 89.329 48.218 32.446 1.00 19.43 ? ? ? ? ? ? 305 GLY A C 1 -ATOM 2331 O O . GLY A 1 305 ? 89.122 47.503 33.414 1.00 18.83 ? ? ? ? ? ? 305 GLY A O 1 -ATOM 2332 N N . VAL A 1 306 ? 90.537 48.308 31.899 1.00 20.60 ? ? ? ? ? ? 306 VAL A N 1 -ATOM 2333 C CA . VAL A 1 306 ? 91.672 47.672 32.558 1.00 19.23 ? ? ? ? ? ? 306 VAL A CA 1 -ATOM 2334 C C . VAL A 1 306 ? 91.933 48.530 33.781 1.00 20.41 ? ? ? ? ? ? 306 VAL A C 1 -ATOM 2335 O O . VAL A 1 306 ? 92.308 48.021 34.837 1.00 20.35 ? ? ? ? ? ? 306 VAL A O 1 -ATOM 2336 C CB . VAL A 1 306 ? 92.935 47.632 31.687 1.00 17.58 ? ? ? ? ? ? 306 VAL A CB 1 -ATOM 2337 C CG1 . VAL A 1 306 ? 94.069 47.051 32.468 1.00 18.35 ? ? ? ? ? ? 306 VAL A CG1 1 -ATOM 2338 C CG2 . VAL A 1 306 ? 92.723 46.761 30.479 1.00 18.61 ? ? ? ? ? ? 306 VAL A CG2 1 -ATOM 2339 N N . GLU A 1 307 ? 91.651 49.828 33.650 1.00 21.41 ? ? ? ? ? ? 307 GLU A N 1 -ATOM 2340 C CA . GLU A 1 307 ? 91.844 50.781 34.743 1.00 22.38 ? ? ? ? ? ? 307 GLU A CA 1 -ATOM 2341 C C . GLU A 1 307 ? 90.836 50.523 35.843 1.00 22.68 ? ? ? ? ? ? 307 GLU A C 1 -ATOM 2342 O O . GLU A 1 307 ? 91.173 50.627 37.016 1.00 23.69 ? ? ? ? ? ? 307 GLU A O 1 -ATOM 2343 C CB . GLU A 1 307 ? 91.694 52.229 34.272 1.00 23.64 ? ? ? ? ? ? 307 GLU A CB 1 -ATOM 2344 C CG . GLU A 1 307 ? 92.825 52.746 33.405 1.00 26.27 ? ? ? ? ? ? 307 GLU A CG 1 -ATOM 2345 C CD . GLU A 1 307 ? 92.893 52.084 32.037 1.00 27.61 ? ? ? ? ? ? 307 GLU A CD 1 -ATOM 2346 O OE1 . GLU A 1 307 ? 91.872 51.548 31.561 1.00 26.03 ? ? ? ? ? ? 307 GLU A OE1 1 -ATOM 2347 O OE2 . GLU A 1 307 ? 93.984 52.115 31.428 1.00 29.77 ? ? ? ? ? ? 307 GLU A OE2 1 -ATOM 2348 N N . THR A 1 308 ? 89.603 50.177 35.470 1.00 21.84 ? ? ? ? ? ? 308 THR A N 1 -ATOM 2349 C CA . THR A 1 308 ? 88.560 49.910 36.463 1.00 20.72 ? ? ? ? ? ? 308 THR A CA 1 -ATOM 2350 C C . THR A 1 308 ? 88.849 48.648 37.277 1.00 19.56 ? ? ? ? ? ? 308 THR A C 1 -ATOM 2351 O O . THR A 1 308 ? 88.620 48.608 38.474 1.00 19.57 ? ? ? ? ? ? 308 THR A O 1 -ATOM 2352 C CB . THR A 1 308 ? 87.193 49.783 35.805 1.00 21.06 ? ? ? ? ? ? 308 THR A CB 1 -ATOM 2353 O OG1 . THR A 1 308 ? 87.015 50.862 34.873 1.00 22.51 ? ? ? ? ? ? 308 THR A OG1 1 -ATOM 2354 C CG2 . THR A 1 308 ? 86.113 49.869 36.867 1.00 21.82 ? ? ? ? ? ? 308 THR A CG2 1 -ATOM 2355 N N . VAL A 1 309 ? 89.347 47.621 36.600 1.00 19.28 ? ? ? ? ? ? 309 VAL A N 1 -ATOM 2356 C CA . VAL A 1 309 ? 89.714 46.350 37.201 1.00 17.51 ? ? ? ? ? ? 309 VAL A CA 1 -ATOM 2357 C C . VAL A 1 309 ? 90.870 46.624 38.176 1.00 17.40 ? ? ? ? ? ? 309 VAL A C 1 -ATOM 2358 O O . VAL A 1 309 ? 90.853 46.201 39.338 1.00 17.16 ? ? ? ? ? ? 309 VAL A O 1 -ATOM 2359 C CB . VAL A 1 309 ? 90.227 45.392 36.104 1.00 17.67 ? ? ? ? ? ? 309 VAL A CB 1 -ATOM 2360 C CG1 . VAL A 1 309 ? 90.655 44.064 36.709 1.00 19.49 ? ? ? ? ? ? 309 VAL A CG1 1 -ATOM 2361 C CG2 . VAL A 1 309 ? 89.186 45.198 35.036 1.00 16.83 ? ? ? ? ? ? 309 VAL A CG2 1 -ATOM 2362 N N . ARG A 1 310 ? 91.873 47.335 37.674 1.00 15.30 ? ? ? ? ? ? 310 ARG A N 1 -ATOM 2363 C CA . ARG A 1 310 ? 93.036 47.700 38.445 1.00 14.74 ? ? ? ? ? ? 310 ARG A CA 1 -ATOM 2364 C C . ARG A 1 310 ? 92.624 48.526 39.654 1.00 14.95 ? ? ? ? ? ? 310 ARG A C 1 -ATOM 2365 O O . ARG A 1 310 ? 93.169 48.378 40.747 1.00 16.67 ? ? ? ? ? ? 310 ARG A O 1 -ATOM 2366 C CB . ARG A 1 310 ? 93.966 48.521 37.565 1.00 16.03 ? ? ? ? ? ? 310 ARG A CB 1 -ATOM 2367 C CG . ARG A 1 310 ? 94.918 47.734 36.681 1.00 16.97 ? ? ? ? ? ? 310 ARG A CG 1 -ATOM 2368 C CD . ARG A 1 310 ? 96.154 47.393 37.454 1.00 17.89 ? ? ? ? ? ? 310 ARG A CD 1 -ATOM 2369 N NE . ARG A 1 310 ? 97.400 47.722 36.773 1.00 21.18 ? ? ? ? ? ? 310 ARG A NE 1 -ATOM 2370 C CZ . ARG A 1 310 ? 98.550 47.969 37.404 1.00 22.53 ? ? ? ? ? ? 310 ARG A CZ 1 -ATOM 2371 N NH1 . ARG A 1 310 ? 98.616 47.942 38.731 1.00 21.49 ? ? ? ? ? ? 310 ARG A NH1 1 -ATOM 2372 N NH2 . ARG A 1 310 ? 99.659 48.164 36.709 1.00 22.94 ? ? ? ? ? ? 310 ARG A NH2 1 -ATOM 2373 N N . SER A 1 311 ? 91.651 49.397 39.446 1.00 14.90 ? ? ? ? ? ? 311 SER A N 1 -ATOM 2374 C CA . SER A 1 311 ? 91.133 50.278 40.482 1.00 15.37 ? ? ? ? ? ? 311 SER A CA 1 -ATOM 2375 C C . SER A 1 311 ? 90.419 49.465 41.590 1.00 15.17 ? ? ? ? ? ? 311 SER A C 1 -ATOM 2376 O O . SER A 1 311 ? 90.633 49.699 42.784 1.00 15.02 ? ? ? ? ? ? 311 SER A O 1 -ATOM 2377 C CB . SER A 1 311 ? 90.178 51.278 39.811 1.00 17.35 ? ? ? ? ? ? 311 SER A CB 1 -ATOM 2378 O OG . SER A 1 311 ? 89.869 52.393 40.623 1.00 19.56 ? ? ? ? ? ? 311 SER A OG 1 -ATOM 2379 N N . LEU A 1 312 ? 89.579 48.510 41.188 1.00 14.97 ? ? ? ? ? ? 312 LEU A N 1 -ATOM 2380 C CA . LEU A 1 312 ? 88.839 47.644 42.114 1.00 14.06 ? ? ? ? ? ? 312 LEU A CA 1 -ATOM 2381 C C . LEU A 1 312 ? 89.812 46.812 42.940 1.00 14.67 ? ? ? ? ? ? 312 LEU A C 1 -ATOM 2382 O O . LEU A 1 312 ? 89.709 46.739 44.163 1.00 15.16 ? ? ? ? ? ? 312 LEU A O 1 -ATOM 2383 C CB . LEU A 1 312 ? 87.937 46.713 41.329 1.00 12.96 ? ? ? ? ? ? 312 LEU A CB 1 -ATOM 2384 C CG . LEU A 1 312 ? 86.610 47.301 40.931 1.00 13.32 ? ? ? ? ? ? 312 LEU A CG 1 -ATOM 2385 C CD1 . LEU A 1 312 ? 85.951 46.469 39.838 1.00 16.35 ? ? ? ? ? ? 312 LEU A CD1 1 -ATOM 2386 C CD2 . LEU A 1 312 ? 85.771 47.326 42.181 1.00 15.70 ? ? ? ? ? ? 312 LEU A CD2 1 -ATOM 2387 N N . THR A 1 313 ? 90.730 46.144 42.255 1.00 14.27 ? ? ? ? ? ? 313 THR A N 1 -ATOM 2388 C CA . THR A 1 313 ? 91.751 45.362 42.919 1.00 14.00 ? ? ? ? ? ? 313 THR A CA 1 -ATOM 2389 C C . THR A 1 313 ? 92.449 46.264 43.965 1.00 14.33 ? ? ? ? ? ? 313 THR A C 1 -ATOM 2390 O O . THR A 1 313 ? 92.804 45.786 45.050 1.00 15.91 ? ? ? ? ? ? 313 THR A O 1 -ATOM 2391 C CB . THR A 1 313 ? 92.767 44.807 41.880 1.00 12.98 ? ? ? ? ? ? 313 THR A CB 1 -ATOM 2392 O OG1 . THR A 1 313 ? 92.051 44.068 40.883 1.00 12.79 ? ? ? ? ? ? 313 THR A OG1 1 -ATOM 2393 C CG2 . THR A 1 313 ? 93.785 43.900 42.538 1.00 11.68 ? ? ? ? ? ? 313 THR A CG2 1 -ATOM 2394 N N . SER A 1 314 ? 92.632 47.551 43.658 1.00 12.97 ? ? ? ? ? ? 314 SER A N 1 -ATOM 2395 C CA . SER A 1 314 ? 93.249 48.450 44.616 1.00 13.03 ? ? ? ? ? ? 314 SER A CA 1 -ATOM 2396 C C . SER A 1 314 ? 92.465 48.466 45.911 1.00 13.67 ? ? ? ? ? ? 314 SER A C 1 -ATOM 2397 O O . SER A 1 314 ? 93.057 48.308 46.972 1.00 14.32 ? ? ? ? ? ? 314 SER A O 1 -ATOM 2398 C CB . SER A 1 314 ? 93.339 49.865 44.085 1.00 13.60 ? ? ? ? ? ? 314 SER A CB 1 -ATOM 2399 O OG . SER A 1 314 ? 94.438 50.021 43.224 1.00 14.58 ? ? ? ? ? ? 314 SER A OG 1 -ATOM 2400 N N . LEU A 1 315 ? 91.142 48.629 45.842 1.00 14.09 ? ? ? ? ? ? 315 LEU A N 1 -ATOM 2401 C CA . LEU A 1 315 ? 90.325 48.654 47.065 1.00 14.67 ? ? ? ? ? ? 315 LEU A CA 1 -ATOM 2402 C C . LEU A 1 315 ? 90.593 47.399 47.913 1.00 16.91 ? ? ? ? ? ? 315 LEU A C 1 -ATOM 2403 O O . LEU A 1 315 ? 90.910 47.484 49.103 1.00 18.42 ? ? ? ? ? ? 315 LEU A O 1 -ATOM 2404 C CB . LEU A 1 315 ? 88.836 48.767 46.730 1.00 13.07 ? ? ? ? ? ? 315 LEU A CB 1 -ATOM 2405 C CG . LEU A 1 315 ? 88.311 50.071 46.119 1.00 11.71 ? ? ? ? ? ? 315 LEU A CG 1 -ATOM 2406 C CD1 . LEU A 1 315 ? 86.831 49.946 45.839 1.00 12.44 ? ? ? ? ? ? 315 LEU A CD1 1 -ATOM 2407 C CD2 . LEU A 1 315 ? 88.564 51.259 47.063 1.00 13.08 ? ? ? ? ? ? 315 LEU A CD2 1 -ATOM 2408 N N . ALA A 1 316 ? 90.504 46.235 47.283 1.00 17.70 ? ? ? ? ? ? 316 ALA A N 1 -ATOM 2409 C CA . ALA A 1 316 ? 90.778 44.978 47.953 1.00 17.98 ? ? ? ? ? ? 316 ALA A CA 1 -ATOM 2410 C C . ALA A 1 316 ? 92.197 44.996 48.562 1.00 18.97 ? ? ? ? ? ? 316 ALA A C 1 -ATOM 2411 O O . ALA A 1 316 ? 92.410 44.512 49.678 1.00 20.54 ? ? ? ? ? ? 316 ALA A O 1 -ATOM 2412 C CB . ALA A 1 316 ? 90.633 43.823 46.956 1.00 17.60 ? ? ? ? ? ? 316 ALA A CB 1 -ATOM 2413 N N . MET A 1 317 ? 93.172 45.522 47.828 1.00 18.60 ? ? ? ? ? ? 317 MET A N 1 -ATOM 2414 C CA . MET A 1 317 ? 94.537 45.596 48.339 1.00 19.53 ? ? ? ? ? ? 317 MET A CA 1 -ATOM 2415 C C . MET A 1 317 ? 94.515 46.398 49.614 1.00 19.64 ? ? ? ? ? ? 317 MET A C 1 -ATOM 2416 O O . MET A 1 317 ? 94.933 45.934 50.674 1.00 20.85 ? ? ? ? ? ? 317 MET A O 1 -ATOM 2417 C CB . MET A 1 317 ? 95.439 46.354 47.377 1.00 21.55 ? ? ? ? ? ? 317 MET A CB 1 -ATOM 2418 C CG . MET A 1 317 ? 95.823 45.619 46.150 1.00 22.79 ? ? ? ? ? ? 317 MET A CG 1 -ATOM 2419 S SD . MET A 1 317 ? 97.275 46.379 45.450 1.00 26.82 ? ? ? ? ? ? 317 MET A SD 1 -ATOM 2420 C CE . MET A 1 317 ? 97.035 45.843 43.759 1.00 28.60 ? ? ? ? ? ? 317 MET A CE 1 -ATOM 2421 N N . LEU A 1 318 ? 94.002 47.614 49.479 1.00 18.74 ? ? ? ? ? ? 318 LEU A N 1 -ATOM 2422 C CA . LEU A 1 318 ? 93.883 48.584 50.557 1.00 17.86 ? ? ? ? ? ? 318 LEU A CA 1 -ATOM 2423 C C . LEU A 1 318 ? 93.194 48.035 51.815 1.00 17.27 ? ? ? ? ? ? 318 LEU A C 1 -ATOM 2424 O O . LEU A 1 318 ? 93.457 48.483 52.939 1.00 16.63 ? ? ? ? ? ? 318 LEU A O 1 -ATOM 2425 C CB . LEU A 1 318 ? 93.115 49.810 50.033 1.00 16.66 ? ? ? ? ? ? 318 LEU A CB 1 -ATOM 2426 C CG . LEU A 1 318 ? 93.220 51.110 50.831 1.00 15.76 ? ? ? ? ? ? 318 LEU A CG 1 -ATOM 2427 C CD1 . LEU A 1 318 ? 94.681 51.520 50.938 1.00 14.16 ? ? ? ? ? ? 318 LEU A CD1 1 -ATOM 2428 C CD2 . LEU A 1 318 ? 92.410 52.185 50.167 1.00 12.97 ? ? ? ? ? ? 318 LEU A CD2 1 -ATOM 2429 N N . THR A 1 319 ? 92.339 47.043 51.628 1.00 16.59 ? ? ? ? ? ? 319 THR A N 1 -ATOM 2430 C CA . THR A 1 319 ? 91.592 46.481 52.740 1.00 16.16 ? ? ? ? ? ? 319 THR A CA 1 -ATOM 2431 C C . THR A 1 319 ? 92.071 45.114 53.217 1.00 16.05 ? ? ? ? ? ? 319 THR A C 1 -ATOM 2432 O O . THR A 1 319 ? 91.493 44.531 54.141 1.00 16.55 ? ? ? ? ? ? 319 THR A O 1 -ATOM 2433 C CB . THR A 1 319 ? 90.092 46.452 52.378 1.00 15.97 ? ? ? ? ? ? 319 THR A CB 1 -ATOM 2434 O OG1 . THR A 1 319 ? 89.898 45.818 51.096 1.00 13.14 ? ? ? ? ? ? 319 THR A OG1 1 -ATOM 2435 C CG2 . THR A 1 319 ? 89.575 47.895 52.285 1.00 15.29 ? ? ? ? ? ? 319 THR A CG2 1 -ATOM 2436 N N . GLY A 1 320 ? 93.163 44.633 52.628 1.00 15.00 ? ? ? ? ? ? 320 GLY A N 1 -ATOM 2437 C CA . GLY A 1 320 ? 93.672 43.327 52.987 1.00 13.07 ? ? ? ? ? ? 320 GLY A CA 1 -ATOM 2438 C C . GLY A 1 320 ? 92.778 42.176 52.560 1.00 13.12 ? ? ? ? ? ? 320 GLY A C 1 -ATOM 2439 O O . GLY A 1 320 ? 92.951 41.052 53.048 1.00 13.99 ? ? ? ? ? ? 320 GLY A O 1 -ATOM 2440 N N . ASN A 1 321 ? 91.869 42.410 51.613 1.00 12.72 ? ? ? ? ? ? 321 ASN A N 1 -ATOM 2441 C CA . ASN A 1 321 ? 90.963 41.344 51.167 1.00 13.58 ? ? ? ? ? ? 321 ASN A CA 1 -ATOM 2442 C C . ASN A 1 321 ? 91.561 40.469 50.073 1.00 13.23 ? ? ? ? ? ? 321 ASN A C 1 -ATOM 2443 O O . ASN A 1 321 ? 90.944 40.238 49.036 1.00 12.71 ? ? ? ? ? ? 321 ASN A O 1 -ATOM 2444 C CB . ASN A 1 321 ? 89.605 41.895 50.721 1.00 13.20 ? ? ? ? ? ? 321 ASN A CB 1 -ATOM 2445 C CG . ASN A 1 321 ? 88.816 42.496 51.874 1.00 15.53 ? ? ? ? ? ? 321 ASN A CG 1 -ATOM 2446 O OD1 . ASN A 1 321 ? 88.586 41.844 52.891 1.00 12.89 ? ? ? ? ? ? 321 ASN A OD1 1 -ATOM 2447 N ND2 . ASN A 1 321 ? 88.396 43.752 51.716 1.00 18.49 ? ? ? ? ? ? 321 ASN A ND2 1 -ATOM 2448 N N . LEU A 1 322 ? 92.743 39.938 50.340 1.00 12.44 ? ? ? ? ? ? 322 LEU A N 1 -ATOM 2449 C CA . LEU A 1 322 ? 93.441 39.093 49.394 1.00 13.33 ? ? ? ? ? ? 322 LEU A CA 1 -ATOM 2450 C C . LEU A 1 322 ? 94.393 38.233 50.199 1.00 15.25 ? ? ? ? ? ? 322 LEU A C 1 -ATOM 2451 O O . LEU A 1 322 ? 94.950 38.691 51.203 1.00 16.51 ? ? ? ? ? ? 322 LEU A O 1 -ATOM 2452 C CB . LEU A 1 322 ? 94.244 39.952 48.402 1.00 12.84 ? ? ? ? ? ? 322 LEU A CB 1 -ATOM 2453 C CG . LEU A 1 322 ? 93.530 40.816 47.353 1.00 10.73 ? ? ? ? ? ? 322 LEU A CG 1 -ATOM 2454 C CD1 . LEU A 1 322 ? 94.467 41.881 46.861 1.00 9.96 ? ? ? ? ? ? 322 LEU A CD1 1 -ATOM 2455 C CD2 . LEU A 1 322 ? 93.033 39.981 46.196 1.00 10.59 ? ? ? ? ? ? 322 LEU A CD2 1 -ATOM 2456 N N . GLY A 1 323 ? 94.587 36.998 49.754 1.00 15.68 ? ? ? ? ? ? 323 GLY A N 1 -ATOM 2457 C CA . GLY A 1 323 ? 95.485 36.100 50.448 1.00 16.13 ? ? ? ? ? ? 323 GLY A CA 1 -ATOM 2458 C C . GLY A 1 323 ? 94.772 35.274 51.490 1.00 17.04 ? ? ? ? ? ? 323 GLY A C 1 -ATOM 2459 O O . GLY A 1 323 ? 95.371 34.415 52.132 1.00 18.51 ? ? ? ? ? ? 323 GLY A O 1 -ATOM 2460 N N . LYS A 1 324 ? 93.463 35.450 51.578 1.00 17.87 ? ? ? ? ? ? 324 LYS A N 1 -ATOM 2461 C CA . LYS A 1 324 ? 92.661 34.736 52.559 1.00 18.57 ? ? ? ? ? ? 324 LYS A CA 1 -ATOM 2462 C C . LYS A 1 324 ? 91.361 34.248 51.953 1.00 19.37 ? ? ? ? ? ? 324 LYS A C 1 -ATOM 2463 O O . LYS A 1 324 ? 90.848 34.857 51.008 1.00 19.02 ? ? ? ? ? ? 324 LYS A O 1 -ATOM 2464 C CB . LYS A 1 324 ? 92.322 35.700 53.695 1.00 20.03 ? ? ? ? ? ? 324 LYS A CB 1 -ATOM 2465 C CG . LYS A 1 324 ? 91.798 37.037 53.210 1.00 20.33 ? ? ? ? ? ? 324 LYS A CG 1 -ATOM 2466 C CD . LYS A 1 324 ? 90.949 37.720 54.262 1.00 21.61 ? ? ? ? ? ? 324 LYS A CD 1 -ATOM 2467 C CE . LYS A 1 324 ? 91.767 38.430 55.297 1.00 22.21 ? ? ? ? ? ? 324 LYS A CE 1 -ATOM 2468 N NZ . LYS A 1 324 ? 90.868 39.127 56.253 1.00 23.59 ? ? ? ? ? ? 324 LYS A NZ 1 -ATOM 2469 N N . PRO A 1 325 ? 90.771 33.177 52.525 1.00 20.61 ? ? ? ? ? ? 325 PRO A N 1 -ATOM 2470 C CA . PRO A 1 325 ? 89.499 32.607 52.041 1.00 20.99 ? ? ? ? ? ? 325 PRO A CA 1 -ATOM 2471 C C . PRO A 1 325 ? 88.311 33.571 52.173 1.00 19.78 ? ? ? ? ? ? 325 PRO A C 1 -ATOM 2472 O O . PRO A 1 325 ? 88.316 34.484 52.993 1.00 21.26 ? ? ? ? ? ? 325 PRO A O 1 -ATOM 2473 C CB . PRO A 1 325 ? 89.308 31.400 52.950 1.00 19.56 ? ? ? ? ? ? 325 PRO A CB 1 -ATOM 2474 C CG . PRO A 1 325 ? 89.926 31.862 54.227 1.00 19.28 ? ? ? ? ? ? 325 PRO A CG 1 -ATOM 2475 C CD . PRO A 1 325 ? 91.211 32.469 53.738 1.00 19.93 ? ? ? ? ? ? 325 PRO A CD 1 -ATOM 2476 N N . HIS A 1 326 ? 87.291 33.361 51.364 1.00 18.50 ? ? ? ? ? ? 326 HIS A N 1 -ATOM 2477 C CA . HIS A 1 326 ? 86.104 34.218 51.412 1.00 19.99 ? ? ? ? ? ? 326 HIS A CA 1 -ATOM 2478 C C . HIS A 1 326 ? 86.395 35.705 51.276 1.00 19.94 ? ? ? ? ? ? 326 HIS A C 1 -ATOM 2479 O O . HIS A 1 326 ? 85.799 36.535 51.970 1.00 21.88 ? ? ? ? ? ? 326 HIS A O 1 -ATOM 2480 C CB . HIS A 1 326 ? 85.328 33.973 52.707 1.00 19.48 ? ? ? ? ? ? 326 HIS A CB 1 -ATOM 2481 C CG . HIS A 1 326 ? 85.488 32.586 53.235 1.00 19.57 ? ? ? ? ? ? 326 HIS A CG 1 -ATOM 2482 N ND1 . HIS A 1 326 ? 85.030 31.480 52.561 1.00 18.49 ? ? ? ? ? ? 326 HIS A ND1 1 -ATOM 2483 C CD2 . HIS A 1 326 ? 86.156 32.121 54.315 1.00 19.08 ? ? ? ? ? ? 326 HIS A CD2 1 -ATOM 2484 C CE1 . HIS A 1 326 ? 85.418 30.392 53.194 1.00 19.80 ? ? ? ? ? ? 326 HIS A CE1 1 -ATOM 2485 N NE2 . HIS A 1 326 ? 86.104 30.750 54.263 1.00 18.43 ? ? ? ? ? ? 326 HIS A NE2 1 -ATOM 2486 N N . ALA A 1 327 ? 87.265 36.044 50.342 1.00 18.89 ? ? ? ? ? ? 327 ALA A N 1 -ATOM 2487 C CA . ALA A 1 327 ? 87.623 37.428 50.095 1.00 18.00 ? ? ? ? ? ? 327 ALA A CA 1 -ATOM 2488 C C . ALA A 1 327 ? 88.123 37.465 48.652 1.00 17.90 ? ? ? ? ? ? 327 ALA A C 1 -ATOM 2489 O O . ALA A 1 327 ? 87.564 36.796 47.773 1.00 19.18 ? ? ? ? ? ? 327 ALA A O 1 -ATOM 2490 C CB . ALA A 1 327 ? 88.713 37.856 51.070 1.00 17.33 ? ? ? ? ? ? 327 ALA A CB 1 -ATOM 2491 N N . GLY A 1 328 ? 89.132 38.278 48.388 1.00 16.28 ? ? ? ? ? ? 328 GLY A N 1 -ATOM 2492 C CA . GLY A 1 328 ? 89.674 38.310 47.054 1.00 13.40 ? ? ? ? ? ? 328 GLY A CA 1 -ATOM 2493 C C . GLY A 1 328 ? 88.987 39.175 46.036 1.00 12.50 ? ? ? ? ? ? 328 GLY A C 1 -ATOM 2494 O O . GLY A 1 328 ? 88.102 39.978 46.332 1.00 12.28 ? ? ? ? ? ? 328 GLY A O 1 -ATOM 2495 N N . VAL A 1 329 ? 89.463 39.007 44.814 1.00 13.02 ? ? ? ? ? ? 329 VAL A N 1 -ATOM 2496 C CA . VAL A 1 329 ? 89.018 39.719 43.626 1.00 12.42 ? ? ? ? ? ? 329 VAL A CA 1 -ATOM 2497 C C . VAL A 1 329 ? 88.518 38.631 42.637 1.00 11.73 ? ? ? ? ? ? 329 VAL A C 1 -ATOM 2498 O O . VAL A 1 329 ? 89.263 37.738 42.225 1.00 11.59 ? ? ? ? ? ? 329 VAL A O 1 -ATOM 2499 C CB . VAL A 1 329 ? 90.228 40.558 43.122 1.00 11.98 ? ? ? ? ? ? 329 VAL A CB 1 -ATOM 2500 C CG1 . VAL A 1 329 ? 90.601 40.225 41.716 1.00 13.67 ? ? ? ? ? ? 329 VAL A CG1 1 -ATOM 2501 C CG2 . VAL A 1 329 ? 89.964 42.023 43.339 1.00 11.95 ? ? ? ? ? ? 329 VAL A CG2 1 -ATOM 2502 N N . ASN A 1 330 ? 87.247 38.718 42.265 1.00 10.20 ? ? ? ? ? ? 330 ASN A N 1 -ATOM 2503 C CA . ASN A 1 330 ? 86.646 37.706 41.429 1.00 8.51 ? ? ? ? ? ? 330 ASN A CA 1 -ATOM 2504 C C . ASN A 1 330 ? 85.986 38.038 40.100 1.00 7.21 ? ? ? ? ? ? 330 ASN A C 1 -ATOM 2505 O O . ASN A 1 330 ? 84.800 38.379 40.032 1.00 6.76 ? ? ? ? ? ? 330 ASN A O 1 -ATOM 2506 C CB . ASN A 1 330 ? 85.672 36.923 42.281 1.00 9.99 ? ? ? ? ? ? 330 ASN A CB 1 -ATOM 2507 C CG . ASN A 1 330 ? 86.321 36.385 43.511 1.00 11.91 ? ? ? ? ? ? 330 ASN A CG 1 -ATOM 2508 O OD1 . ASN A 1 330 ? 86.955 35.343 43.478 1.00 11.89 ? ? ? ? ? ? 330 ASN A OD1 1 -ATOM 2509 N ND2 . ASN A 1 330 ? 86.215 37.123 44.604 1.00 14.97 ? ? ? ? ? ? 330 ASN A ND2 1 -ATOM 2510 N N . PRO A 1 331 ? 86.771 38.041 39.028 1.00 5.71 ? ? ? ? ? ? 331 PRO A N 1 -ATOM 2511 C CA . PRO A 1 331 ? 86.161 38.330 37.741 1.00 5.41 ? ? ? ? ? ? 331 PRO A CA 1 -ATOM 2512 C C . PRO A 1 331 ? 85.526 37.006 37.341 1.00 7.80 ? ? ? ? ? ? 331 PRO A C 1 -ATOM 2513 O O . PRO A 1 331 ? 86.228 36.032 37.011 1.00 8.22 ? ? ? ? ? ? 331 PRO A O 1 -ATOM 2514 C CB . PRO A 1 331 ? 87.367 38.708 36.887 1.00 2.85 ? ? ? ? ? ? 331 PRO A CB 1 -ATOM 2515 C CG . PRO A 1 331 ? 88.469 37.983 37.507 1.00 3.26 ? ? ? ? ? ? 331 PRO A CG 1 -ATOM 2516 C CD . PRO A 1 331 ? 88.231 38.181 38.955 1.00 4.12 ? ? ? ? ? ? 331 PRO A CD 1 -ATOM 2517 N N . VAL A 1 332 ? 84.207 36.919 37.483 1.00 9.78 ? ? ? ? ? ? 332 VAL A N 1 -ATOM 2518 C CA . VAL A 1 332 ? 83.512 35.678 37.161 1.00 11.40 ? ? ? ? ? ? 332 VAL A CA 1 -ATOM 2519 C C . VAL A 1 332 ? 83.503 35.576 35.644 1.00 13.50 ? ? ? ? ? ? 332 VAL A C 1 -ATOM 2520 O O . VAL A 1 332 ? 82.774 36.311 34.975 1.00 15.41 ? ? ? ? ? ? 332 VAL A O 1 -ATOM 2521 C CB . VAL A 1 332 ? 82.067 35.640 37.752 1.00 10.65 ? ? ? ? ? ? 332 VAL A CB 1 -ATOM 2522 C CG1 . VAL A 1 332 ? 81.449 34.277 37.544 1.00 12.13 ? ? ? ? ? ? 332 VAL A CG1 1 -ATOM 2523 C CG2 . VAL A 1 332 ? 82.084 35.932 39.237 1.00 9.66 ? ? ? ? ? ? 332 VAL A CG2 1 -ATOM 2524 N N . ARG A 1 333 ? 84.385 34.730 35.110 1.00 14.28 ? ? ? ? ? ? 333 ARG A N 1 -ATOM 2525 C CA . ARG A 1 333 ? 84.528 34.537 33.665 1.00 14.78 ? ? ? ? ? ? 333 ARG A CA 1 -ATOM 2526 C C . ARG A 1 333 ? 83.174 34.096 33.152 1.00 13.94 ? ? ? ? ? ? 333 ARG A C 1 -ATOM 2527 O O . ARG A 1 333 ? 82.425 33.460 33.879 1.00 15.18 ? ? ? ? ? ? 333 ARG A O 1 -ATOM 2528 C CB . ARG A 1 333 ? 85.607 33.477 33.371 1.00 17.66 ? ? ? ? ? ? 333 ARG A CB 1 -ATOM 2529 C CG . ARG A 1 333 ? 86.811 33.456 34.380 1.00 20.30 ? ? ? ? ? ? 333 ARG A CG 1 -ATOM 2530 C CD . ARG A 1 333 ? 87.683 34.714 34.335 1.00 24.01 ? ? ? ? ? ? 333 ARG A CD 1 -ATOM 2531 N NE . ARG A 1 333 ? 88.857 34.578 33.461 1.00 28.94 ? ? ? ? ? ? 333 ARG A NE 1 -ATOM 2532 C CZ . ARG A 1 333 ? 88.818 34.569 32.123 1.00 32.34 ? ? ? ? ? ? 333 ARG A CZ 1 -ATOM 2533 N NH1 . ARG A 1 333 ? 87.657 34.685 31.481 1.00 32.82 ? ? ? ? ? ? 333 ARG A NH1 1 -ATOM 2534 N NH2 . ARG A 1 333 ? 89.946 34.496 31.411 1.00 31.89 ? ? ? ? ? ? 333 ARG A NH2 1 -ATOM 2535 N N . GLY A 1 334 ? 82.851 34.432 31.912 1.00 13.31 ? ? ? ? ? ? 334 GLY A N 1 -ATOM 2536 C CA . GLY A 1 334 ? 81.547 34.089 31.378 1.00 11.92 ? ? ? ? ? ? 334 GLY A CA 1 -ATOM 2537 C C . GLY A 1 334 ? 81.191 32.718 30.825 1.00 12.13 ? ? ? ? ? ? 334 GLY A C 1 -ATOM 2538 O O . GLY A 1 334 ? 80.342 32.008 31.382 1.00 11.87 ? ? ? ? ? ? 334 GLY A O 1 -ATOM 2539 N N . GLN A 1 335 ? 81.788 32.366 29.698 1.00 11.90 ? ? ? ? ? ? 335 GLN A N 1 -ATOM 2540 C CA . GLN A 1 335 ? 81.467 31.123 29.031 1.00 12.04 ? ? ? ? ? ? 335 GLN A CA 1 -ATOM 2541 C C . GLN A 1 335 ? 81.977 29.876 29.714 1.00 13.02 ? ? ? ? ? ? 335 GLN A C 1 -ATOM 2542 O O . GLN A 1 335 ? 83.065 29.889 30.295 1.00 12.63 ? ? ? ? ? ? 335 GLN A O 1 -ATOM 2543 C CB . GLN A 1 335 ? 81.915 31.176 27.577 1.00 11.59 ? ? ? ? ? ? 335 GLN A CB 1 -ATOM 2544 C CG . GLN A 1 335 ? 81.389 32.375 26.869 1.00 13.16 ? ? ? ? ? ? 335 GLN A CG 1 -ATOM 2545 C CD . GLN A 1 335 ? 80.869 32.075 25.490 1.00 15.18 ? ? ? ? ? ? 335 GLN A CD 1 -ATOM 2546 O OE1 . GLN A 1 335 ? 81.477 31.325 24.747 1.00 17.74 ? ? ? ? ? ? 335 GLN A OE1 1 -ATOM 2547 N NE2 . GLN A 1 335 ? 79.743 32.686 25.126 1.00 16.69 ? ? ? ? ? ? 335 GLN A NE2 1 -ATOM 2548 N N . ASN A 1 336 ? 81.196 28.797 29.590 1.00 11.85 ? ? ? ? ? ? 336 ASN A N 1 -ATOM 2549 C CA . ASN A 1 336 ? 81.518 27.513 30.196 1.00 12.34 ? ? ? ? ? ? 336 ASN A CA 1 -ATOM 2550 C C . ASN A 1 336 ? 82.990 27.170 30.235 1.00 12.43 ? ? ? ? ? ? 336 ASN A C 1 -ATOM 2551 O O . ASN A 1 336 ? 83.526 26.805 31.289 1.00 11.97 ? ? ? ? ? ? 336 ASN A O 1 -ATOM 2552 C CB . ASN A 1 336 ? 80.748 26.361 29.541 1.00 12.10 ? ? ? ? ? ? 336 ASN A CB 1 -ATOM 2553 C CG . ASN A 1 336 ? 81.162 26.107 28.111 1.00 10.87 ? ? ? ? ? ? 336 ASN A CG 1 -ATOM 2554 O OD1 . ASN A 1 336 ? 81.851 25.137 27.816 1.00 9.68 ? ? ? ? ? ? 336 ASN A OD1 1 -ATOM 2555 N ND2 . ASN A 1 336 ? 80.664 26.927 27.207 1.00 10.88 ? ? ? ? ? ? 336 ASN A ND2 1 -ATOM 2556 N N . ASN A 1 337 ? 83.667 27.352 29.111 1.00 13.10 ? ? ? ? ? ? 337 ASN A N 1 -ATOM 2557 C CA . ASN A 1 337 ? 85.077 27.024 29.077 1.00 11.87 ? ? ? ? ? ? 337 ASN A CA 1 -ATOM 2558 C C . ASN A 1 337 ? 86.025 28.097 28.617 1.00 11.07 ? ? ? ? ? ? 337 ASN A C 1 -ATOM 2559 O O . ASN A 1 337 ? 87.094 27.770 28.167 1.00 11.43 ? ? ? ? ? ? 337 ASN A O 1 -ATOM 2560 C CB . ASN A 1 337 ? 85.310 25.774 28.250 1.00 11.65 ? ? ? ? ? ? 337 ASN A CB 1 -ATOM 2561 C CG . ASN A 1 337 ? 86.605 25.123 28.587 1.00 12.01 ? ? ? ? ? ? 337 ASN A CG 1 -ATOM 2562 O OD1 . ASN A 1 337 ? 87.110 25.297 29.698 1.00 12.48 ? ? ? ? ? ? 337 ASN A OD1 1 -ATOM 2563 N ND2 . ASN A 1 337 ? 87.158 24.358 27.651 1.00 10.64 ? ? ? ? ? ? 337 ASN A ND2 1 -ATOM 2564 N N . VAL A 1 338 ? 85.666 29.373 28.742 1.00 11.93 ? ? ? ? ? ? 338 VAL A N 1 -ATOM 2565 C CA . VAL A 1 338 ? 86.568 30.453 28.315 1.00 11.02 ? ? ? ? ? ? 338 VAL A CA 1 -ATOM 2566 C C . VAL A 1 338 ? 87.791 30.455 29.194 1.00 11.44 ? ? ? ? ? ? 338 VAL A C 1 -ATOM 2567 O O . VAL A 1 338 ? 88.892 30.813 28.752 1.00 12.49 ? ? ? ? ? ? 338 VAL A O 1 -ATOM 2568 C CB . VAL A 1 338 ? 85.939 31.844 28.428 1.00 10.15 ? ? ? ? ? ? 338 VAL A CB 1 -ATOM 2569 C CG1 . VAL A 1 338 ? 85.417 32.078 29.833 1.00 11.45 ? ? ? ? ? ? 338 VAL A CG1 1 -ATOM 2570 C CG2 . VAL A 1 338 ? 86.960 32.887 28.066 1.00 7.63 ? ? ? ? ? ? 338 VAL A CG2 1 -ATOM 2571 N N . GLN A 1 339 ? 87.576 30.102 30.460 1.00 10.59 ? ? ? ? ? ? 339 GLN A N 1 -ATOM 2572 C CA . GLN A 1 339 ? 88.649 30.039 31.429 1.00 9.30 ? ? ? ? ? ? 339 GLN A CA 1 -ATOM 2573 C C . GLN A 1 339 ? 89.572 28.943 30.882 1.00 10.19 ? ? ? ? ? ? 339 GLN A C 1 -ATOM 2574 O O . GLN A 1 339 ? 90.756 29.182 30.668 1.00 12.62 ? ? ? ? ? ? 339 GLN A O 1 -ATOM 2575 C CB . GLN A 1 339 ? 88.061 29.688 32.803 1.00 8.44 ? ? ? ? ? ? 339 GLN A CB 1 -ATOM 2576 C CG . GLN A 1 339 ? 89.048 29.331 33.902 1.00 8.49 ? ? ? ? ? ? 339 GLN A CG 1 -ATOM 2577 C CD . GLN A 1 339 ? 90.019 30.440 34.207 1.00 9.57 ? ? ? ? ? ? 339 GLN A CD 1 -ATOM 2578 O OE1 . GLN A 1 339 ? 91.217 30.278 34.036 1.00 10.94 ? ? ? ? ? ? 339 GLN A OE1 1 -ATOM 2579 N NE2 . GLN A 1 339 ? 89.509 31.576 34.670 1.00 8.64 ? ? ? ? ? ? 339 GLN A NE2 1 -ATOM 2580 N N . GLY A 1 340 ? 88.984 27.815 30.490 1.00 9.72 ? ? ? ? ? ? 340 GLY A N 1 -ATOM 2581 C CA . GLY A 1 340 ? 89.746 26.687 29.986 1.00 8.55 ? ? ? ? ? ? 340 GLY A CA 1 -ATOM 2582 C C . GLY A 1 340 ? 90.651 26.983 28.822 1.00 9.05 ? ? ? ? ? ? 340 GLY A C 1 -ATOM 2583 O O . GLY A 1 340 ? 91.855 26.739 28.905 1.00 10.74 ? ? ? ? ? ? 340 GLY A O 1 -ATOM 2584 N N . ALA A 1 341 ? 90.072 27.483 27.736 1.00 8.34 ? ? ? ? ? ? 341 ALA A N 1 -ATOM 2585 C CA . ALA A 1 341 ? 90.790 27.840 26.519 1.00 8.41 ? ? ? ? ? ? 341 ALA A CA 1 -ATOM 2586 C C . ALA A 1 341 ? 92.024 28.700 26.858 1.00 10.52 ? ? ? ? ? ? 341 ALA A C 1 -ATOM 2587 O O . ALA A 1 341 ? 93.108 28.552 26.254 1.00 10.42 ? ? ? ? ? ? 341 ALA A O 1 -ATOM 2588 C CB . ALA A 1 341 ? 89.857 28.602 25.600 1.00 8.32 ? ? ? ? ? ? 341 ALA A CB 1 -ATOM 2589 N N . CYS A 1 342 ? 91.858 29.618 27.804 1.00 10.60 ? ? ? ? ? ? 342 CYS A N 1 -ATOM 2590 C CA . CYS A 1 342 ? 92.979 30.445 28.233 1.00 12.48 ? ? ? ? ? ? 342 CYS A CA 1 -ATOM 2591 C C . CYS A 1 342 ? 94.038 29.542 28.851 1.00 11.95 ? ? ? ? ? ? 342 CYS A C 1 -ATOM 2592 O O . CYS A 1 342 ? 95.202 29.589 28.433 1.00 13.16 ? ? ? ? ? ? 342 CYS A O 1 -ATOM 2593 C CB . CYS A 1 342 ? 92.534 31.540 29.220 1.00 12.85 ? ? ? ? ? ? 342 CYS A CB 1 -ATOM 2594 S SG . CYS A 1 342 ? 91.517 32.769 28.391 1.00 12.86 ? ? ? ? ? ? 342 CYS A SG 1 -ATOM 2595 N N . ASP A 1 343 ? 93.629 28.682 29.785 1.00 11.34 ? ? ? ? ? ? 343 ASP A N 1 -ATOM 2596 C CA . ASP A 1 343 ? 94.559 27.745 30.437 1.00 12.62 ? ? ? ? ? ? 343 ASP A CA 1 -ATOM 2597 C C . ASP A 1 343 ? 95.321 26.939 29.377 1.00 11.17 ? ? ? ? ? ? 343 ASP A C 1 -ATOM 2598 O O . ASP A 1 343 ? 96.438 26.508 29.602 1.00 8.89 ? ? ? ? ? ? 343 ASP A O 1 -ATOM 2599 C CB . ASP A 1 343 ? 93.822 26.720 31.321 1.00 13.48 ? ? ? ? ? ? 343 ASP A CB 1 -ATOM 2600 C CG . ASP A 1 343 ? 93.068 27.342 32.478 1.00 14.77 ? ? ? ? ? ? 343 ASP A CG 1 -ATOM 2601 O OD1 . ASP A 1 343 ? 93.533 28.336 33.064 1.00 14.58 ? ? ? ? ? ? 343 ASP A OD1 1 -ATOM 2602 O OD2 . ASP A 1 343 ? 92.016 26.782 32.842 1.00 16.52 ? ? ? ? ? ? 343 ASP A OD2 1 -ATOM 2603 N N . MET A 1 344 ? 94.681 26.705 28.239 1.00 11.43 ? ? ? ? ? ? 344 MET A N 1 -ATOM 2604 C CA . MET A 1 344 ? 95.286 25.924 27.168 1.00 12.66 ? ? ? ? ? ? 344 MET A CA 1 -ATOM 2605 C C . MET A 1 344 ? 96.237 26.709 26.299 1.00 12.63 ? ? ? ? ? ? 344 MET A C 1 -ATOM 2606 O O . MET A 1 344 ? 97.081 26.125 25.631 1.00 13.00 ? ? ? ? ? ? 344 MET A O 1 -ATOM 2607 C CB . MET A 1 344 ? 94.204 25.256 26.322 1.00 14.23 ? ? ? ? ? ? 344 MET A CB 1 -ATOM 2608 C CG . MET A 1 344 ? 93.306 24.357 27.141 1.00 13.17 ? ? ? ? ? ? 344 MET A CG 1 -ATOM 2609 S SD . MET A 1 344 ? 94.272 23.054 27.832 1.00 15.27 ? ? ? ? ? ? 344 MET A SD 1 -ATOM 2610 C CE . MET A 1 344 ? 94.320 23.496 29.566 1.00 13.47 ? ? ? ? ? ? 344 MET A CE 1 -ATOM 2611 N N . GLY A 1 345 ? 96.119 28.032 26.310 1.00 12.27 ? ? ? ? ? ? 345 GLY A N 1 -ATOM 2612 C CA . GLY A 1 345 ? 97.039 28.834 25.522 1.00 11.16 ? ? ? ? ? ? 345 GLY A CA 1 -ATOM 2613 C C . GLY A 1 345 ? 96.443 29.355 24.240 1.00 10.55 ? ? ? ? ? ? 345 GLY A C 1 -ATOM 2614 O O . GLY A 1 345 ? 97.146 29.657 23.264 1.00 7.70 ? ? ? ? ? ? 345 GLY A O 1 -ATOM 2615 N N . ALA A 1 346 ? 95.119 29.449 24.255 1.00 10.63 ? ? ? ? ? ? 346 ALA A N 1 -ATOM 2616 C CA . ALA A 1 346 ? 94.382 29.971 23.131 1.00 10.95 ? ? ? ? ? ? 346 ALA A CA 1 -ATOM 2617 C C . ALA A 1 346 ? 94.406 31.510 23.305 1.00 12.56 ? ? ? ? ? ? 346 ALA A C 1 -ATOM 2618 O O . ALA A 1 346 ? 93.380 32.204 23.215 1.00 13.34 ? ? ? ? ? ? 346 ALA A O 1 -ATOM 2619 C CB . ALA A 1 346 ? 92.980 29.419 23.155 1.00 10.10 ? ? ? ? ? ? 346 ALA A CB 1 -ATOM 2620 N N . LEU A 1 347 ? 95.604 32.013 23.598 1.00 12.25 ? ? ? ? ? ? 347 LEU A N 1 -ATOM 2621 C CA . LEU A 1 347 ? 95.882 33.424 23.801 1.00 12.24 ? ? ? ? ? ? 347 LEU A CA 1 -ATOM 2622 C C . LEU A 1 347 ? 97.089 33.643 22.916 1.00 13.40 ? ? ? ? ? ? 347 LEU A C 1 -ATOM 2623 O O . LEU A 1 347 ? 97.989 32.806 22.888 1.00 15.78 ? ? ? ? ? ? 347 LEU A O 1 -ATOM 2624 C CB . LEU A 1 347 ? 96.235 33.670 25.251 1.00 10.33 ? ? ? ? ? ? 347 LEU A CB 1 -ATOM 2625 C CG . LEU A 1 347 ? 94.992 33.457 26.077 1.00 10.50 ? ? ? ? ? ? 347 LEU A CG 1 -ATOM 2626 C CD1 . LEU A 1 347 ? 95.315 33.518 27.540 1.00 12.99 ? ? ? ? ? ? 347 LEU A CD1 1 -ATOM 2627 C CD2 . LEU A 1 347 ? 93.979 34.497 25.701 1.00 10.22 ? ? ? ? ? ? 347 LEU A CD2 1 -ATOM 2628 N N . PRO A 1 348 ? 97.169 34.793 22.239 1.00 13.42 ? ? ? ? ? ? 348 PRO A N 1 -ATOM 2629 C CA . PRO A 1 348 ? 98.306 35.048 21.348 1.00 14.03 ? ? ? ? ? ? 348 PRO A CA 1 -ATOM 2630 C C . PRO A 1 348 ? 99.645 35.351 21.972 1.00 14.72 ? ? ? ? ? ? 348 PRO A C 1 -ATOM 2631 O O . PRO A 1 348 ? 100.571 35.730 21.271 1.00 12.36 ? ? ? ? ? ? 348 PRO A O 1 -ATOM 2632 C CB . PRO A 1 348 ? 97.812 36.202 20.504 1.00 14.83 ? ? ? ? ? ? 348 PRO A CB 1 -ATOM 2633 C CG . PRO A 1 348 ? 96.933 36.971 21.481 1.00 14.09 ? ? ? ? ? ? 348 PRO A CG 1 -ATOM 2634 C CD . PRO A 1 348 ? 96.180 35.880 22.178 1.00 13.63 ? ? ? ? ? ? 348 PRO A CD 1 -ATOM 2635 N N . ASP A 1 349 ? 99.757 35.137 23.281 1.00 16.74 ? ? ? ? ? ? 349 ASP A N 1 -ATOM 2636 C CA . ASP A 1 349 ? 100.989 35.414 24.011 1.00 16.78 ? ? ? ? ? ? 349 ASP A CA 1 -ATOM 2637 C C . ASP A 1 349 ? 101.390 34.372 25.056 1.00 17.96 ? ? ? ? ? ? 349 ASP A C 1 -ATOM 2638 O O . ASP A 1 349 ? 102.429 34.526 25.711 1.00 20.97 ? ? ? ? ? ? 349 ASP A O 1 -ATOM 2639 C CB . ASP A 1 349 ? 100.924 36.798 24.662 1.00 16.22 ? ? ? ? ? ? 349 ASP A CB 1 -ATOM 2640 C CG . ASP A 1 349 ? 99.865 36.907 25.768 1.00 17.99 ? ? ? ? ? ? 349 ASP A CG 1 -ATOM 2641 O OD1 . ASP A 1 349 ? 98.964 36.049 25.893 1.00 17.31 ? ? ? ? ? ? 349 ASP A OD1 1 -ATOM 2642 O OD2 . ASP A 1 349 ? 99.925 37.904 26.526 1.00 19.95 ? ? ? ? ? ? 349 ASP A OD2 1 -ATOM 2643 N N . THR A 1 350 ? 100.600 33.315 25.224 1.00 15.96 ? ? ? ? ? ? 350 THR A N 1 -ATOM 2644 C CA . THR A 1 350 ? 100.965 32.306 26.205 1.00 14.99 ? ? ? ? ? ? 350 THR A CA 1 -ATOM 2645 C C . THR A 1 350 ? 100.717 30.915 25.693 1.00 15.28 ? ? ? ? ? ? 350 THR A C 1 -ATOM 2646 O O . THR A 1 350 ? 99.831 30.691 24.865 1.00 13.91 ? ? ? ? ? ? 350 THR A O 1 -ATOM 2647 C CB . THR A 1 350 ? 100.138 32.396 27.507 1.00 14.85 ? ? ? ? ? ? 350 THR A CB 1 -ATOM 2648 O OG1 . THR A 1 350 ? 99.188 33.455 27.417 1.00 15.97 ? ? ? ? ? ? 350 THR A OG1 1 -ATOM 2649 C CG2 . THR A 1 350 ? 101.018 32.580 28.697 1.00 12.70 ? ? ? ? ? ? 350 THR A CG2 1 -ATOM 2650 N N . TYR A 1 351 ? 101.530 29.993 26.200 1.00 15.47 ? ? ? ? ? ? 351 TYR A N 1 -ATOM 2651 C CA . TYR A 1 351 ? 101.406 28.572 25.905 1.00 15.45 ? ? ? ? ? ? 351 TYR A CA 1 -ATOM 2652 C C . TYR A 1 351 ? 100.452 28.133 27.022 1.00 14.39 ? ? ? ? ? ? 351 TYR A C 1 -ATOM 2653 O O . TYR A 1 351 ? 100.042 28.968 27.853 1.00 14.91 ? ? ? ? ? ? 351 TYR A O 1 -ATOM 2654 C CB . TYR A 1 351 ? 102.758 27.884 26.098 1.00 15.78 ? ? ? ? ? ? 351 TYR A CB 1 -ATOM 2655 C CG . TYR A 1 351 ? 103.762 28.161 25.017 1.00 17.42 ? ? ? ? ? ? 351 TYR A CG 1 -ATOM 2656 C CD1 . TYR A 1 351 ? 103.456 27.917 23.682 1.00 18.43 ? ? ? ? ? ? 351 TYR A CD1 1 -ATOM 2657 C CD2 . TYR A 1 351 ? 105.041 28.626 25.329 1.00 18.54 ? ? ? ? ? ? 351 TYR A CD2 1 -ATOM 2658 C CE1 . TYR A 1 351 ? 104.404 28.119 22.671 1.00 20.07 ? ? ? ? ? ? 351 TYR A CE1 1 -ATOM 2659 C CE2 . TYR A 1 351 ? 105.997 28.835 24.334 1.00 19.74 ? ? ? ? ? ? 351 TYR A CE2 1 -ATOM 2660 C CZ . TYR A 1 351 ? 105.672 28.573 23.002 1.00 20.99 ? ? ? ? ? ? 351 TYR A CZ 1 -ATOM 2661 O OH . TYR A 1 351 ? 106.621 28.725 22.007 1.00 22.40 ? ? ? ? ? ? 351 TYR A OH 1 -ATOM 2662 N N . PRO A 1 352 ? 100.015 26.865 27.024 1.00 11.83 ? ? ? ? ? ? 352 PRO A N 1 -ATOM 2663 C CA . PRO A 1 352 ? 99.124 26.506 28.122 1.00 10.45 ? ? ? ? ? ? 352 PRO A CA 1 -ATOM 2664 C C . PRO A 1 352 ? 99.928 26.586 29.397 1.00 9.86 ? ? ? ? ? ? 352 PRO A C 1 -ATOM 2665 O O . PRO A 1 352 ? 101.146 26.629 29.349 1.00 9.39 ? ? ? ? ? ? 352 PRO A O 1 -ATOM 2666 C CB . PRO A 1 352 ? 98.710 25.076 27.789 1.00 11.73 ? ? ? ? ? ? 352 PRO A CB 1 -ATOM 2667 C CG . PRO A 1 352 ? 99.769 24.587 26.851 1.00 13.53 ? ? ? ? ? ? 352 PRO A CG 1 -ATOM 2668 C CD . PRO A 1 352 ? 100.082 25.796 26.022 1.00 12.51 ? ? ? ? ? ? 352 PRO A CD 1 -ATOM 2669 N N . GLY A 1 353 ? 99.252 26.639 30.535 1.00 11.58 ? ? ? ? ? ? 353 GLY A N 1 -ATOM 2670 C CA . GLY A 1 353 ? 99.930 26.731 31.817 1.00 12.69 ? ? ? ? ? ? 353 GLY A CA 1 -ATOM 2671 C C . GLY A 1 353 ? 100.377 28.155 32.091 1.00 14.29 ? ? ? ? ? ? 353 GLY A C 1 -ATOM 2672 O O . GLY A 1 353 ? 101.055 28.425 33.073 1.00 16.44 ? ? ? ? ? ? 353 GLY A O 1 -ATOM 2673 N N . TYR A 1 354 ? 99.979 29.080 31.232 1.00 13.75 ? ? ? ? ? ? 354 TYR A N 1 -ATOM 2674 C CA . TYR A 1 354 ? 100.351 30.475 31.386 1.00 14.02 ? ? ? ? ? ? 354 TYR A CA 1 -ATOM 2675 C C . TYR A 1 354 ? 101.852 30.697 31.352 1.00 14.25 ? ? ? ? ? ? 354 TYR A C 1 -ATOM 2676 O O . TYR A 1 354 ? 102.395 31.591 31.998 1.00 15.23 ? ? ? ? ? ? 354 TYR A O 1 -ATOM 2677 C CB . TYR A 1 354 ? 99.690 31.078 32.610 1.00 13.22 ? ? ? ? ? ? 354 TYR A CB 1 -ATOM 2678 C CG . TYR A 1 354 ? 98.177 30.989 32.524 1.00 14.81 ? ? ? ? ? ? 354 TYR A CG 1 -ATOM 2679 C CD1 . TYR A 1 354 ? 97.467 31.797 31.635 1.00 12.19 ? ? ? ? ? ? 354 TYR A CD1 1 -ATOM 2680 C CD2 . TYR A 1 354 ? 97.454 30.064 33.317 1.00 13.95 ? ? ? ? ? ? 354 TYR A CD2 1 -ATOM 2681 C CE1 . TYR A 1 354 ? 96.096 31.695 31.531 1.00 13.39 ? ? ? ? ? ? 354 TYR A CE1 1 -ATOM 2682 C CE2 . TYR A 1 354 ? 96.071 29.958 33.220 1.00 11.51 ? ? ? ? ? ? 354 TYR A CE2 1 -ATOM 2683 C CZ . TYR A 1 354 ? 95.399 30.772 32.326 1.00 14.57 ? ? ? ? ? ? 354 TYR A CZ 1 -ATOM 2684 O OH . TYR A 1 354 ? 94.026 30.671 32.188 1.00 17.43 ? ? ? ? ? ? 354 TYR A OH 1 -ATOM 2685 N N . GLN A 1 355 ? 102.480 29.938 30.462 1.00 14.72 ? ? ? ? ? ? 355 GLN A N 1 -ATOM 2686 C CA . GLN A 1 355 ? 103.908 29.983 30.201 1.00 16.00 ? ? ? ? ? ? 355 GLN A CA 1 -ATOM 2687 C C . GLN A 1 355 ? 104.097 30.731 28.872 1.00 17.79 ? ? ? ? ? ? 355 GLN A C 1 -ATOM 2688 O O . GLN A 1 355 ? 104.056 30.137 27.784 1.00 18.29 ? ? ? ? ? ? 355 GLN A O 1 -ATOM 2689 C CB . GLN A 1 355 ? 104.428 28.559 30.115 1.00 13.57 ? ? ? ? ? ? 355 GLN A CB 1 -ATOM 2690 C CG . GLN A 1 355 ? 104.108 27.777 31.346 1.00 11.11 ? ? ? ? ? ? 355 GLN A CG 1 -ATOM 2691 C CD . GLN A 1 355 ? 104.373 26.328 31.177 1.00 11.57 ? ? ? ? ? ? 355 GLN A CD 1 -ATOM 2692 O OE1 . GLN A 1 355 ? 105.312 25.802 31.750 1.00 13.88 ? ? ? ? ? ? 355 GLN A OE1 1 -ATOM 2693 N NE2 . GLN A 1 355 ? 103.554 25.661 30.383 1.00 11.80 ? ? ? ? ? ? 355 GLN A NE2 1 -ATOM 2694 N N . TYR A 1 356 ? 104.293 32.042 28.986 1.00 19.22 ? ? ? ? ? ? 356 TYR A N 1 -ATOM 2695 C CA . TYR A 1 356 ? 104.428 32.961 27.840 1.00 19.86 ? ? ? ? ? ? 356 TYR A CA 1 -ATOM 2696 C C . TYR A 1 356 ? 105.516 32.628 26.821 1.00 19.21 ? ? ? ? ? ? 356 TYR A C 1 -ATOM 2697 O O . TYR A 1 356 ? 106.614 32.206 27.189 1.00 19.20 ? ? ? ? ? ? 356 TYR A O 1 -ATOM 2698 C CB . TYR A 1 356 ? 104.585 34.419 28.349 1.00 20.63 ? ? ? ? ? ? 356 TYR A CB 1 -ATOM 2699 C CG . TYR A 1 356 ? 103.559 34.802 29.408 1.00 20.09 ? ? ? ? ? ? 356 TYR A CG 1 -ATOM 2700 C CD1 . TYR A 1 356 ? 103.673 34.325 30.726 1.00 19.13 ? ? ? ? ? ? 356 TYR A CD1 1 -ATOM 2701 C CD2 . TYR A 1 356 ? 102.429 35.552 29.076 1.00 19.98 ? ? ? ? ? ? 356 TYR A CD2 1 -ATOM 2702 C CE1 . TYR A 1 356 ? 102.690 34.575 31.677 1.00 18.99 ? ? ? ? ? ? 356 TYR A CE1 1 -ATOM 2703 C CE2 . TYR A 1 356 ? 101.423 35.807 30.039 1.00 20.05 ? ? ? ? ? ? 356 TYR A CE2 1 -ATOM 2704 C CZ . TYR A 1 356 ? 101.568 35.314 31.330 1.00 19.61 ? ? ? ? ? ? 356 TYR A CZ 1 -ATOM 2705 O OH . TYR A 1 356 ? 100.596 35.553 32.277 1.00 22.02 ? ? ? ? ? ? 356 TYR A OH 1 -ATOM 2706 N N . VAL A 1 357 ? 105.200 32.854 25.543 1.00 19.81 ? ? ? ? ? ? 357 VAL A N 1 -ATOM 2707 C CA . VAL A 1 357 ? 106.132 32.592 24.429 1.00 19.52 ? ? ? ? ? ? 357 VAL A CA 1 -ATOM 2708 C C . VAL A 1 357 ? 107.389 33.459 24.494 1.00 19.19 ? ? ? ? ? ? 357 VAL A C 1 -ATOM 2709 O O . VAL A 1 357 ? 108.463 33.043 24.086 1.00 18.57 ? ? ? ? ? ? 357 VAL A O 1 -ATOM 2710 C CB . VAL A 1 357 ? 105.456 32.745 23.006 1.00 18.29 ? ? ? ? ? ? 357 VAL A CB 1 -ATOM 2711 C CG1 . VAL A 1 357 ? 104.439 31.656 22.786 1.00 18.35 ? ? ? ? ? ? 357 VAL A CG1 1 -ATOM 2712 C CG2 . VAL A 1 357 ? 104.777 34.093 22.842 1.00 17.10 ? ? ? ? ? ? 357 VAL A CG2 1 -ATOM 2713 N N . LYS A 1 358 ? 107.259 34.647 25.065 1.00 20.17 ? ? ? ? ? ? 358 LYS A N 1 -ATOM 2714 C CA . LYS A 1 358 ? 108.389 35.557 25.172 1.00 21.15 ? ? ? ? ? ? 358 LYS A CA 1 -ATOM 2715 C C . LYS A 1 358 ? 109.556 34.923 25.928 1.00 20.85 ? ? ? ? ? ? 358 LYS A C 1 -ATOM 2716 O O . LYS A 1 358 ? 110.710 35.167 25.592 1.00 20.32 ? ? ? ? ? ? 358 LYS A O 1 -ATOM 2717 C CB . LYS A 1 358 ? 107.979 36.864 25.852 1.00 21.87 ? ? ? ? ? ? 358 LYS A CB 1 -ATOM 2718 C CG . LYS A 1 358 ? 108.068 36.842 27.362 1.00 23.26 ? ? ? ? ? ? 358 LYS A CG 1 -ATOM 2719 C CD . LYS A 1 358 ? 108.050 38.249 27.895 1.00 25.89 ? ? ? ? ? ? 358 LYS A CD 1 -ATOM 2720 C CE . LYS A 1 358 ? 106.634 38.737 28.061 1.00 31.15 ? ? ? ? ? ? 358 LYS A CE 1 -ATOM 2721 N NZ . LYS A 1 358 ? 105.765 38.518 26.852 1.00 34.86 ? ? ? ? ? ? 358 LYS A NZ 1 -ATOM 2722 N N . ASP A 1 359 ? 109.242 34.103 26.930 1.00 20.14 ? ? ? ? ? ? 359 ASP A N 1 -ATOM 2723 C CA . ASP A 1 359 ? 110.251 33.440 27.737 1.00 19.19 ? ? ? ? ? ? 359 ASP A CA 1 -ATOM 2724 C C . ASP A 1 359 ? 110.978 32.376 26.934 1.00 20.38 ? ? ? ? ? ? 359 ASP A C 1 -ATOM 2725 O O . ASP A 1 359 ? 110.397 31.342 26.602 1.00 23.19 ? ? ? ? ? ? 359 ASP A O 1 -ATOM 2726 C CB . ASP A 1 359 ? 109.603 32.789 28.949 1.00 17.11 ? ? ? ? ? ? 359 ASP A CB 1 -ATOM 2727 C CG . ASP A 1 359 ? 110.618 32.340 29.985 1.00 17.29 ? ? ? ? ? ? 359 ASP A CG 1 -ATOM 2728 O OD1 . ASP A 1 359 ? 111.695 31.831 29.616 1.00 16.63 ? ? ? ? ? ? 359 ASP A OD1 1 -ATOM 2729 O OD2 . ASP A 1 359 ? 110.344 32.507 31.194 1.00 18.37 ? ? ? ? ? ? 359 ASP A OD2 1 -ATOM 2730 N N . PRO A 1 360 ? 112.300 32.537 26.752 1.00 20.17 ? ? ? ? ? ? 360 PRO A N 1 -ATOM 2731 C CA . PRO A 1 360 ? 113.131 31.590 25.997 1.00 19.37 ? ? ? ? ? ? 360 PRO A CA 1 -ATOM 2732 C C . PRO A 1 360 ? 113.104 30.149 26.528 1.00 18.72 ? ? ? ? ? ? 360 PRO A C 1 -ATOM 2733 O O . PRO A 1 360 ? 113.095 29.199 25.747 1.00 19.28 ? ? ? ? ? ? 360 PRO A O 1 -ATOM 2734 C CB . PRO A 1 360 ? 114.518 32.209 26.119 1.00 19.16 ? ? ? ? ? ? 360 PRO A CB 1 -ATOM 2735 C CG . PRO A 1 360 ? 114.457 32.894 27.460 1.00 18.45 ? ? ? ? ? ? 360 PRO A CG 1 -ATOM 2736 C CD . PRO A 1 360 ? 113.140 33.569 27.385 1.00 18.28 ? ? ? ? ? ? 360 PRO A CD 1 -ATOM 2737 N N . ALA A 1 361 ? 113.090 29.992 27.849 1.00 18.39 ? ? ? ? ? ? 361 ALA A N 1 -ATOM 2738 C CA . ALA A 1 361 ? 113.069 28.671 28.487 1.00 18.80 ? ? ? ? ? ? 361 ALA A CA 1 -ATOM 2739 C C . ALA A 1 361 ? 111.811 27.879 28.159 1.00 19.81 ? ? ? ? ? ? 361 ALA A C 1 -ATOM 2740 O O . ALA A 1 361 ? 111.866 26.656 28.017 1.00 20.05 ? ? ? ? ? ? 361 ALA A O 1 -ATOM 2741 C CB . ALA A 1 361 ? 113.217 28.802 29.976 1.00 17.27 ? ? ? ? ? ? 361 ALA A CB 1 -ATOM 2742 N N . ASN A 1 362 ? 110.682 28.582 28.042 1.00 21.52 ? ? ? ? ? ? 362 ASN A N 1 -ATOM 2743 C CA . ASN A 1 362 ? 109.396 27.961 27.709 1.00 21.62 ? ? ? ? ? ? 362 ASN A CA 1 -ATOM 2744 C C . ASN A 1 362 ? 109.439 27.493 26.268 1.00 22.23 ? ? ? ? ? ? 362 ASN A C 1 -ATOM 2745 O O . ASN A 1 362 ? 109.057 26.363 25.960 1.00 22.09 ? ? ? ? ? ? 362 ASN A O 1 -ATOM 2746 C CB . ASN A 1 362 ? 108.248 28.944 27.874 1.00 20.78 ? ? ? ? ? ? 362 ASN A CB 1 -ATOM 2747 C CG . ASN A 1 362 ? 107.964 29.266 29.319 1.00 22.64 ? ? ? ? ? ? 362 ASN A CG 1 -ATOM 2748 O OD1 . ASN A 1 362 ? 108.220 28.459 30.219 1.00 22.68 ? ? ? ? ? ? 362 ASN A OD1 1 -ATOM 2749 N ND2 . ASN A 1 362 ? 107.422 30.458 29.557 1.00 24.06 ? ? ? ? ? ? 362 ASN A ND2 1 -ATOM 2750 N N . ARG A 1 363 ? 109.906 28.366 25.386 1.00 21.92 ? ? ? ? ? ? 363 ARG A N 1 -ATOM 2751 C CA . ARG A 1 363 ? 110.016 28.012 23.985 1.00 22.55 ? ? ? ? ? ? 363 ARG A CA 1 -ATOM 2752 C C . ARG A 1 363 ? 110.928 26.795 23.812 1.00 22.81 ? ? ? ? ? ? 363 ARG A C 1 -ATOM 2753 O O . ARG A 1 363 ? 110.612 25.895 23.040 1.00 23.05 ? ? ? ? ? ? 363 ARG A O 1 -ATOM 2754 C CB . ARG A 1 363 ? 110.536 29.197 23.174 1.00 22.19 ? ? ? ? ? ? 363 ARG A CB 1 -ATOM 2755 C CG . ARG A 1 363 ? 109.441 29.960 22.450 1.00 24.44 ? ? ? ? ? ? 363 ARG A CG 1 -ATOM 2756 C CD . ARG A 1 363 ? 109.986 31.216 21.816 1.00 25.57 ? ? ? ? ? ? 363 ARG A CD 1 -ATOM 2757 N NE . ARG A 1 363 ? 110.401 32.135 22.859 1.00 27.44 ? ? ? ? ? ? 363 ARG A NE 1 -ATOM 2758 C CZ . ARG A 1 363 ? 111.481 32.895 22.812 1.00 27.71 ? ? ? ? ? ? 363 ARG A CZ 1 -ATOM 2759 N NH1 . ARG A 1 363 ? 112.285 32.851 21.763 1.00 26.65 ? ? ? ? ? ? 363 ARG A NH1 1 -ATOM 2760 N NH2 . ARG A 1 363 ? 111.742 33.703 23.826 1.00 28.32 ? ? ? ? ? ? 363 ARG A NH2 1 -ATOM 2761 N N . GLU A 1 364 ? 112.046 26.753 24.540 1.00 22.87 ? ? ? ? ? ? 364 GLU A N 1 -ATOM 2762 C CA . GLU A 1 364 ? 112.962 25.620 24.422 1.00 22.39 ? ? ? ? ? ? 364 GLU A CA 1 -ATOM 2763 C C . GLU A 1 364 ? 112.201 24.356 24.803 1.00 18.58 ? ? ? ? ? ? 364 GLU A C 1 -ATOM 2764 O O . GLU A 1 364 ? 112.289 23.348 24.131 1.00 18.23 ? ? ? ? ? ? 364 GLU A O 1 -ATOM 2765 C CB . GLU A 1 364 ? 114.204 25.781 25.318 1.00 26.05 ? ? ? ? ? ? 364 GLU A CB 1 -ATOM 2766 C CG . GLU A 1 364 ? 115.387 24.907 24.861 1.00 32.89 ? ? ? ? ? ? 364 GLU A CG 1 -ATOM 2767 C CD . GLU A 1 364 ? 116.328 24.434 25.995 1.00 36.71 ? ? ? ? ? ? 364 GLU A CD 1 -ATOM 2768 O OE1 . GLU A 1 364 ? 117.280 25.172 26.366 1.00 39.34 ? ? ? ? ? ? 364 GLU A OE1 1 -ATOM 2769 O OE2 . GLU A 1 364 ? 116.144 23.288 26.475 1.00 38.69 ? ? ? ? ? ? 364 GLU A OE2 1 -ATOM 2770 N N . LYS A 1 365 ? 111.415 24.441 25.862 1.00 16.14 ? ? ? ? ? ? 365 LYS A N 1 -ATOM 2771 C CA . LYS A 1 365 ? 110.636 23.308 26.320 1.00 13.69 ? ? ? ? ? ? 365 LYS A CA 1 -ATOM 2772 C C . LYS A 1 365 ? 109.632 22.870 25.267 1.00 13.73 ? ? ? ? ? ? 365 LYS A C 1 -ATOM 2773 O O . LYS A 1 365 ? 109.697 21.760 24.753 1.00 14.07 ? ? ? ? ? ? 365 LYS A O 1 -ATOM 2774 C CB . LYS A 1 365 ? 109.905 23.648 27.621 1.00 9.97 ? ? ? ? ? ? 365 LYS A CB 1 -ATOM 2775 C CG . LYS A 1 365 ? 109.133 22.478 28.144 1.00 8.28 ? ? ? ? ? ? 365 LYS A CG 1 -ATOM 2776 C CD . LYS A 1 365 ? 108.724 22.673 29.562 1.00 7.79 ? ? ? ? ? ? 365 LYS A CD 1 -ATOM 2777 C CE . LYS A 1 365 ? 107.655 23.721 29.712 1.00 9.31 ? ? ? ? ? ? 365 LYS A CE 1 -ATOM 2778 N NZ . LYS A 1 365 ? 107.265 23.846 31.152 1.00 11.91 ? ? ? ? ? ? 365 LYS A NZ 1 -ATOM 2779 N N . PHE A 1 366 ? 108.710 23.759 24.930 1.00 14.07 ? ? ? ? ? ? 366 PHE A N 1 -ATOM 2780 C CA . PHE A 1 366 ? 107.698 23.440 23.955 1.00 14.60 ? ? ? ? ? ? 366 PHE A CA 1 -ATOM 2781 C C . PHE A 1 366 ? 108.256 22.998 22.593 1.00 16.86 ? ? ? ? ? ? 366 PHE A C 1 -ATOM 2782 O O . PHE A 1 366 ? 107.798 21.983 22.050 1.00 18.37 ? ? ? ? ? ? 366 PHE A O 1 -ATOM 2783 C CB . PHE A 1 366 ? 106.684 24.587 23.847 1.00 12.55 ? ? ? ? ? ? 366 PHE A CB 1 -ATOM 2784 C CG . PHE A 1 366 ? 105.736 24.666 25.027 1.00 11.12 ? ? ? ? ? ? 366 PHE A CG 1 -ATOM 2785 C CD1 . PHE A 1 366 ? 106.061 25.401 26.155 1.00 11.70 ? ? ? ? ? ? 366 PHE A CD1 1 -ATOM 2786 C CD2 . PHE A 1 366 ? 104.553 23.958 25.030 1.00 10.48 ? ? ? ? ? ? 366 PHE A CD2 1 -ATOM 2787 C CE1 . PHE A 1 366 ? 105.227 25.421 27.265 1.00 10.61 ? ? ? ? ? ? 366 PHE A CE1 1 -ATOM 2788 C CE2 . PHE A 1 366 ? 103.720 23.970 26.128 1.00 10.29 ? ? ? ? ? ? 366 PHE A CE2 1 -ATOM 2789 C CZ . PHE A 1 366 ? 104.060 24.707 27.251 1.00 10.48 ? ? ? ? ? ? 366 PHE A CZ 1 -ATOM 2790 N N . ALA A 1 367 ? 109.278 23.685 22.077 1.00 17.25 ? ? ? ? ? ? 367 ALA A N 1 -ATOM 2791 C CA . ALA A 1 367 ? 109.869 23.327 20.771 1.00 17.83 ? ? ? ? ? ? 367 ALA A CA 1 -ATOM 2792 C C . ALA A 1 367 ? 110.432 21.912 20.783 1.00 17.97 ? ? ? ? ? ? 367 ALA A C 1 -ATOM 2793 O O . ALA A 1 367 ? 110.206 21.125 19.858 1.00 18.28 ? ? ? ? ? ? 367 ALA A O 1 -ATOM 2794 C CB . ALA A 1 367 ? 110.972 24.318 20.372 1.00 16.38 ? ? ? ? ? ? 367 ALA A CB 1 -ATOM 2795 N N . LYS A 1 368 ? 111.158 21.591 21.850 1.00 17.40 ? ? ? ? ? ? 368 LYS A N 1 -ATOM 2796 C CA . LYS A 1 368 ? 111.753 20.282 22.004 1.00 15.10 ? ? ? ? ? ? 368 LYS A CA 1 -ATOM 2797 C C . LYS A 1 368 ? 110.642 19.270 21.942 1.00 14.63 ? ? ? ? ? ? 368 LYS A C 1 -ATOM 2798 O O . LYS A 1 368 ? 110.611 18.435 21.056 1.00 13.76 ? ? ? ? ? ? 368 LYS A O 1 -ATOM 2799 C CB . LYS A 1 368 ? 112.458 20.181 23.346 1.00 14.86 ? ? ? ? ? ? 368 LYS A CB 1 -ATOM 2800 C CG . LYS A 1 368 ? 113.088 18.832 23.576 1.00 17.03 ? ? ? ? ? ? 368 LYS A CG 1 -ATOM 2801 C CD . LYS A 1 368 ? 114.089 18.856 24.696 1.00 17.79 ? ? ? ? ? ? 368 LYS A CD 1 -ATOM 2802 C CE . LYS A 1 368 ? 114.809 17.538 24.732 1.00 21.58 ? ? ? ? ? ? 368 LYS A CE 1 -ATOM 2803 N NZ . LYS A 1 368 ? 113.856 16.405 25.004 1.00 25.66 ? ? ? ? ? ? 368 LYS A NZ 1 -ATOM 2804 N N . ALA A 1 369 ? 109.678 19.425 22.843 1.00 15.54 ? ? ? ? ? ? 369 ALA A N 1 -ATOM 2805 C CA . ALA A 1 369 ? 108.528 18.538 22.936 1.00 12.83 ? ? ? ? ? ? 369 ALA A CA 1 -ATOM 2806 C C . ALA A 1 369 ? 107.822 18.359 21.609 1.00 12.24 ? ? ? ? ? ? 369 ALA A C 1 -ATOM 2807 O O . ALA A 1 369 ? 107.604 17.244 21.178 1.00 13.35 ? ? ? ? ? ? 369 ALA A O 1 -ATOM 2808 C CB . ALA A 1 369 ? 107.569 19.058 23.967 1.00 11.92 ? ? ? ? ? ? 369 ALA A CB 1 -ATOM 2809 N N . TRP A 1 370 ? 107.484 19.449 20.940 1.00 12.29 ? ? ? ? ? ? 370 TRP A N 1 -ATOM 2810 C CA . TRP A 1 370 ? 106.782 19.347 19.660 1.00 13.57 ? ? ? ? ? ? 370 TRP A CA 1 -ATOM 2811 C C . TRP A 1 370 ? 107.718 18.926 18.536 1.00 14.64 ? ? ? ? ? ? 370 TRP A C 1 -ATOM 2812 O O . TRP A 1 370 ? 107.317 18.825 17.380 1.00 14.95 ? ? ? ? ? ? 370 TRP A O 1 -ATOM 2813 C CB . TRP A 1 370 ? 106.006 20.661 19.344 1.00 10.68 ? ? ? ? ? ? 370 TRP A CB 1 -ATOM 2814 C CG . TRP A 1 370 ? 105.028 20.947 20.428 1.00 8.59 ? ? ? ? ? ? 370 TRP A CG 1 -ATOM 2815 C CD1 . TRP A 1 370 ? 104.693 20.102 21.442 1.00 6.80 ? ? ? ? ? ? 370 TRP A CD1 1 -ATOM 2816 C CD2 . TRP A 1 370 ? 104.348 22.185 20.705 1.00 10.17 ? ? ? ? ? ? 370 TRP A CD2 1 -ATOM 2817 N NE1 . TRP A 1 370 ? 103.878 20.729 22.345 1.00 8.23 ? ? ? ? ? ? 370 TRP A NE1 1 -ATOM 2818 C CE2 . TRP A 1 370 ? 103.646 22.008 21.925 1.00 8.75 ? ? ? ? ? ? 370 TRP A CE2 1 -ATOM 2819 C CE3 . TRP A 1 370 ? 104.267 23.426 20.053 1.00 10.58 ? ? ? ? ? ? 370 TRP A CE3 1 -ATOM 2820 C CZ2 . TRP A 1 370 ? 102.877 23.026 22.504 1.00 5.96 ? ? ? ? ? ? 370 TRP A CZ2 1 -ATOM 2821 C CZ3 . TRP A 1 370 ? 103.489 24.450 20.643 1.00 7.13 ? ? ? ? ? ? 370 TRP A CZ3 1 -ATOM 2822 C CH2 . TRP A 1 370 ? 102.814 24.234 21.851 1.00 5.42 ? ? ? ? ? ? 370 TRP A CH2 1 -ATOM 2823 N N . GLY A 1 371 ? 108.972 18.683 18.890 1.00 16.58 ? ? ? ? ? ? 371 GLY A N 1 -ATOM 2824 C CA . GLY A 1 371 ? 109.957 18.266 17.916 1.00 19.54 ? ? ? ? ? ? 371 GLY A CA 1 -ATOM 2825 C C . GLY A 1 371 ? 110.119 19.303 16.838 1.00 22.09 ? ? ? ? ? ? 371 GLY A C 1 -ATOM 2826 O O . GLY A 1 371 ? 110.188 18.980 15.659 1.00 23.89 ? ? ? ? ? ? 371 GLY A O 1 -ATOM 2827 N N . VAL A 1 372 ? 110.138 20.562 17.242 1.00 24.36 ? ? ? ? ? ? 372 VAL A N 1 -ATOM 2828 C CA . VAL A 1 372 ? 110.288 21.670 16.313 1.00 26.05 ? ? ? ? ? ? 372 VAL A CA 1 -ATOM 2829 C C . VAL A 1 372 ? 111.535 22.494 16.710 1.00 26.67 ? ? ? ? ? ? 372 VAL A C 1 -ATOM 2830 O O . VAL A 1 372 ? 111.937 22.491 17.878 1.00 27.01 ? ? ? ? ? ? 372 VAL A O 1 -ATOM 2831 C CB . VAL A 1 372 ? 108.962 22.473 16.243 1.00 24.81 ? ? ? ? ? ? 372 VAL A CB 1 -ATOM 2832 C CG1 . VAL A 1 372 ? 109.197 23.953 16.449 1.00 25.11 ? ? ? ? ? ? 372 VAL A CG1 1 -ATOM 2833 C CG2 . VAL A 1 372 ? 108.278 22.196 14.909 1.00 23.31 ? ? ? ? ? ? 372 VAL A CG2 1 -ATOM 2834 N N . GLU A 1 373 ? 112.165 23.144 15.731 1.00 27.12 ? ? ? ? ? ? 373 GLU A N 1 -ATOM 2835 C CA . GLU A 1 373 ? 113.396 23.907 15.967 1.00 27.89 ? ? ? ? ? ? 373 GLU A CA 1 -ATOM 2836 C C . GLU A 1 373 ? 113.199 25.224 16.693 1.00 26.47 ? ? ? ? ? ? 373 GLU A C 1 -ATOM 2837 O O . GLU A 1 373 ? 113.948 25.548 17.614 1.00 26.18 ? ? ? ? ? ? 373 GLU A O 1 -ATOM 2838 C CB . GLU A 1 373 ? 114.176 24.119 14.661 1.00 30.13 ? ? ? ? ? ? 373 GLU A CB 1 -ATOM 2839 C CG . GLU A 1 373 ? 115.624 24.532 14.891 1.00 37.53 ? ? ? ? ? ? 373 GLU A CG 1 -ATOM 2840 C CD . GLU A 1 373 ? 116.575 24.204 13.726 1.00 40.79 ? ? ? ? ? ? 373 GLU A CD 1 -ATOM 2841 O OE1 . GLU A 1 373 ? 116.739 25.067 12.828 1.00 42.75 ? ? ? ? ? ? 373 GLU A OE1 1 -ATOM 2842 O OE2 . GLU A 1 373 ? 117.188 23.103 13.736 1.00 41.93 ? ? ? ? ? ? 373 GLU A OE2 1 -ATOM 2843 N N . SER A 1 374 ? 112.198 25.986 16.271 1.00 25.58 ? ? ? ? ? ? 374 SER A N 1 -ATOM 2844 C CA . SER A 1 374 ? 111.890 27.266 16.899 1.00 23.25 ? ? ? ? ? ? 374 SER A CA 1 -ATOM 2845 C C . SER A 1 374 ? 110.394 27.450 16.950 1.00 21.03 ? ? ? ? ? ? 374 SER A C 1 -ATOM 2846 O O . SER A 1 374 ? 109.675 27.070 16.013 1.00 21.53 ? ? ? ? ? ? 374 SER A O 1 -ATOM 2847 C CB . SER A 1 374 ? 112.462 28.447 16.101 1.00 23.07 ? ? ? ? ? ? 374 SER A CB 1 -ATOM 2848 O OG . SER A 1 374 ? 113.871 28.384 16.000 1.00 27.85 ? ? ? ? ? ? 374 SER A OG 1 -ATOM 2849 N N . LEU A 1 375 ? 109.922 27.969 18.072 1.00 17.32 ? ? ? ? ? ? 375 LEU A N 1 -ATOM 2850 C CA . LEU A 1 375 ? 108.516 28.287 18.208 1.00 15.41 ? ? ? ? ? ? 375 LEU A CA 1 -ATOM 2851 C C . LEU A 1 375 ? 108.554 29.820 18.149 1.00 15.61 ? ? ? ? ? ? 375 LEU A C 1 -ATOM 2852 O O . LEU A 1 375 ? 109.527 30.424 18.608 1.00 15.30 ? ? ? ? ? ? 375 LEU A O 1 -ATOM 2853 C CB . LEU A 1 375 ? 107.974 27.795 19.540 1.00 11.35 ? ? ? ? ? ? 375 LEU A CB 1 -ATOM 2854 C CG . LEU A 1 375 ? 107.865 26.281 19.591 1.00 7.63 ? ? ? ? ? ? 375 LEU A CG 1 -ATOM 2855 C CD1 . LEU A 1 375 ? 107.527 25.864 20.974 1.00 8.78 ? ? ? ? ? ? 375 LEU A CD1 1 -ATOM 2856 C CD2 . LEU A 1 375 ? 106.831 25.800 18.626 1.00 6.43 ? ? ? ? ? ? 375 LEU A CD2 1 -ATOM 2857 N N . PRO A 1 376 ? 107.606 30.452 17.428 1.00 15.01 ? ? ? ? ? ? 376 PRO A N 1 -ATOM 2858 C CA . PRO A 1 376 ? 107.623 31.909 17.360 1.00 14.38 ? ? ? ? ? ? 376 PRO A CA 1 -ATOM 2859 C C . PRO A 1 376 ? 107.685 32.539 18.744 1.00 14.47 ? ? ? ? ? ? 376 PRO A C 1 -ATOM 2860 O O . PRO A 1 376 ? 107.153 31.980 19.706 1.00 14.98 ? ? ? ? ? ? 376 PRO A O 1 -ATOM 2861 C CB . PRO A 1 376 ? 106.327 32.231 16.603 1.00 13.06 ? ? ? ? ? ? 376 PRO A CB 1 -ATOM 2862 C CG . PRO A 1 376 ? 105.505 31.028 16.750 1.00 13.90 ? ? ? ? ? ? 376 PRO A CG 1 -ATOM 2863 C CD . PRO A 1 376 ? 106.509 29.928 16.607 1.00 14.69 ? ? ? ? ? ? 376 PRO A CD 1 -ATOM 2864 N N . ALA A 1 377 ? 108.370 33.681 18.839 1.00 14.22 ? ? ? ? ? ? 377 ALA A N 1 -ATOM 2865 C CA . ALA A 1 377 ? 108.538 34.390 20.110 1.00 13.15 ? ? ? ? ? ? 377 ALA A CA 1 -ATOM 2866 C C . ALA A 1 377 ? 107.761 35.685 20.219 1.00 12.71 ? ? ? ? ? ? 377 ALA A C 1 -ATOM 2867 O O . ALA A 1 377 ? 107.549 36.213 21.308 1.00 13.19 ? ? ? ? ? ? 377 ALA A O 1 -ATOM 2868 C CB . ALA A 1 377 ? 109.978 34.644 20.361 1.00 13.48 ? ? ? ? ? ? 377 ALA A CB 1 -ATOM 2869 N N . HIS A 1 378 ? 107.336 36.211 19.088 1.00 12.72 ? ? ? ? ? ? 378 HIS A N 1 -ATOM 2870 C CA . HIS A 1 378 ? 106.570 37.436 19.108 1.00 13.18 ? ? ? ? ? ? 378 HIS A CA 1 -ATOM 2871 C C . HIS A 1 378 ? 105.072 37.105 19.198 1.00 15.73 ? ? ? ? ? ? 378 HIS A C 1 -ATOM 2872 O O . HIS A 1 378 ? 104.580 36.136 18.574 1.00 15.89 ? ? ? ? ? ? 378 HIS A O 1 -ATOM 2873 C CB . HIS A 1 378 ? 106.863 38.252 17.865 1.00 12.46 ? ? ? ? ? ? 378 HIS A CB 1 -ATOM 2874 C CG . HIS A 1 378 ? 106.498 37.556 16.602 1.00 13.88 ? ? ? ? ? ? 378 HIS A CG 1 -ATOM 2875 N ND1 . HIS A 1 378 ? 107.151 36.424 16.165 1.00 16.59 ? ? ? ? ? ? 378 HIS A ND1 1 -ATOM 2876 C CD2 . HIS A 1 378 ? 105.532 37.809 15.691 1.00 14.49 ? ? ? ? ? ? 378 HIS A CD2 1 -ATOM 2877 C CE1 . HIS A 1 378 ? 106.604 36.011 15.039 1.00 16.90 ? ? ? ? ? ? 378 HIS A CE1 1 -ATOM 2878 N NE2 . HIS A 1 378 ? 105.619 36.836 14.731 1.00 15.93 ? ? ? ? ? ? 378 HIS A NE2 1 -ATOM 2879 N N . THR A 1 379 ? 104.369 37.917 19.989 1.00 16.37 ? ? ? ? ? ? 379 THR A N 1 -ATOM 2880 C CA . THR A 1 379 ? 102.946 37.788 20.232 1.00 14.64 ? ? ? ? ? ? 379 THR A CA 1 -ATOM 2881 C C . THR A 1 379 ? 102.157 37.781 18.958 1.00 14.49 ? ? ? ? ? ? 379 THR A C 1 -ATOM 2882 O O . THR A 1 379 ? 102.463 38.498 18.022 1.00 13.42 ? ? ? ? ? ? 379 THR A O 1 -ATOM 2883 C CB . THR A 1 379 ? 102.467 38.910 21.129 1.00 14.28 ? ? ? ? ? ? 379 THR A CB 1 -ATOM 2884 O OG1 . THR A 1 379 ? 103.287 38.920 22.294 1.00 14.61 ? ? ? ? ? ? 379 THR A OG1 1 -ATOM 2885 C CG2 . THR A 1 379 ? 101.016 38.689 21.573 1.00 16.63 ? ? ? ? ? ? 379 THR A CG2 1 -ATOM 2886 N N . GLY A 1 380 ? 101.139 36.945 18.929 1.00 16.50 ? ? ? ? ? ? 380 GLY A N 1 -ATOM 2887 C CA . GLY A 1 380 ? 100.328 36.836 17.744 1.00 19.00 ? ? ? ? ? ? 380 GLY A CA 1 -ATOM 2888 C C . GLY A 1 380 ? 99.299 37.926 17.658 1.00 19.39 ? ? ? ? ? ? 380 GLY A C 1 -ATOM 2889 O O . GLY A 1 380 ? 99.252 38.815 18.504 1.00 18.79 ? ? ? ? ? ? 380 GLY A O 1 -ATOM 2890 N N . TYR A 1 381 ? 98.481 37.837 16.617 1.00 20.65 ? ? ? ? ? ? 381 TYR A N 1 -ATOM 2891 C CA . TYR A 1 381 ? 97.412 38.783 16.377 1.00 21.45 ? ? ? ? ? ? 381 TYR A CA 1 -ATOM 2892 C C . TYR A 1 381 ? 96.240 38.413 17.263 1.00 21.11 ? ? ? ? ? ? 381 TYR A C 1 -ATOM 2893 O O . TYR A 1 381 ? 96.016 37.245 17.566 1.00 22.48 ? ? ? ? ? ? 381 TYR A O 1 -ATOM 2894 C CB . TYR A 1 381 ? 96.983 38.742 14.907 1.00 21.14 ? ? ? ? ? ? 381 TYR A CB 1 -ATOM 2895 C CG . TYR A 1 381 ? 97.981 39.363 13.967 1.00 22.41 ? ? ? ? ? ? 381 TYR A CG 1 -ATOM 2896 C CD1 . TYR A 1 381 ? 98.665 40.522 14.314 1.00 21.13 ? ? ? ? ? ? 381 TYR A CD1 1 -ATOM 2897 C CD2 . TYR A 1 381 ? 98.245 38.785 12.726 1.00 23.85 ? ? ? ? ? ? 381 TYR A CD2 1 -ATOM 2898 C CE1 . TYR A 1 381 ? 99.583 41.082 13.456 1.00 22.88 ? ? ? ? ? ? 381 TYR A CE1 1 -ATOM 2899 C CE2 . TYR A 1 381 ? 99.161 39.338 11.854 1.00 22.62 ? ? ? ? ? ? 381 TYR A CE2 1 -ATOM 2900 C CZ . TYR A 1 381 ? 99.832 40.486 12.218 1.00 23.64 ? ? ? ? ? ? 381 TYR A CZ 1 -ATOM 2901 O OH . TYR A 1 381 ? 100.764 41.038 11.354 1.00 25.24 ? ? ? ? ? ? 381 TYR A OH 1 -ATOM 2902 N N . ARG A 1 382 ? 95.502 39.416 17.692 1.00 21.43 ? ? ? ? ? ? 382 ARG A N 1 -ATOM 2903 C CA . ARG A 1 382 ? 94.343 39.187 18.530 1.00 23.16 ? ? ? ? ? ? 382 ARG A CA 1 -ATOM 2904 C C . ARG A 1 382 ? 93.146 39.107 17.566 1.00 22.91 ? ? ? ? ? ? 382 ARG A C 1 -ATOM 2905 O O . ARG A 1 382 ? 93.035 39.917 16.644 1.00 23.20 ? ? ? ? ? ? 382 ARG A O 1 -ATOM 2906 C CB . ARG A 1 382 ? 94.194 40.352 19.513 1.00 23.68 ? ? ? ? ? ? 382 ARG A CB 1 -ATOM 2907 C CG . ARG A 1 382 ? 95.512 40.921 19.982 1.00 24.56 ? ? ? ? ? ? 382 ARG A CG 1 -ATOM 2908 C CD . ARG A 1 382 ? 95.853 40.509 21.373 1.00 27.73 ? ? ? ? ? ? 382 ARG A CD 1 -ATOM 2909 N NE . ARG A 1 382 ? 96.394 41.653 22.106 1.00 32.20 ? ? ? ? ? ? 382 ARG A NE 1 -ATOM 2910 C CZ . ARG A 1 382 ? 97.084 41.573 23.243 1.00 34.68 ? ? ? ? ? ? 382 ARG A CZ 1 -ATOM 2911 N NH1 . ARG A 1 382 ? 97.345 40.385 23.797 1.00 38.44 ? ? ? ? ? ? 382 ARG A NH1 1 -ATOM 2912 N NH2 . ARG A 1 382 ? 97.484 42.683 23.855 1.00 34.79 ? ? ? ? ? ? 382 ARG A NH2 1 -ATOM 2913 N N . ILE A 1 383 ? 92.253 38.146 17.772 1.00 21.99 ? ? ? ? ? ? 383 ILE A N 1 -ATOM 2914 C CA . ILE A 1 383 ? 91.111 37.995 16.884 1.00 20.95 ? ? ? ? ? ? 383 ILE A CA 1 -ATOM 2915 C C . ILE A 1 383 ? 90.260 39.267 16.725 1.00 21.15 ? ? ? ? ? ? 383 ILE A C 1 -ATOM 2916 O O . ILE A 1 383 ? 89.571 39.428 15.714 1.00 20.17 ? ? ? ? ? ? 383 ILE A O 1 -ATOM 2917 C CB . ILE A 1 383 ? 90.237 36.753 17.285 1.00 20.87 ? ? ? ? ? ? 383 ILE A CB 1 -ATOM 2918 C CG1 . ILE A 1 383 ? 89.161 36.464 16.234 1.00 20.01 ? ? ? ? ? ? 383 ILE A CG1 1 -ATOM 2919 C CG2 . ILE A 1 383 ? 89.598 36.964 18.626 1.00 19.31 ? ? ? ? ? ? 383 ILE A CG2 1 -ATOM 2920 C CD1 . ILE A 1 383 ? 89.708 36.078 14.888 1.00 18.53 ? ? ? ? ? ? 383 ILE A CD1 1 -ATOM 2921 N N . SER A 1 384 ? 90.296 40.171 17.706 1.00 21.95 ? ? ? ? ? ? 384 SER A N 1 -ATOM 2922 C CA . SER A 1 384 ? 89.517 41.417 17.601 1.00 21.90 ? ? ? ? ? ? 384 SER A CA 1 -ATOM 2923 C C . SER A 1 384 ? 90.120 42.400 16.586 1.00 22.68 ? ? ? ? ? ? 384 SER A C 1 -ATOM 2924 O O . SER A 1 384 ? 89.466 43.348 16.180 1.00 24.50 ? ? ? ? ? ? 384 SER A O 1 -ATOM 2925 C CB . SER A 1 384 ? 89.360 42.099 18.965 1.00 21.24 ? ? ? ? ? ? 384 SER A CB 1 -ATOM 2926 O OG . SER A 1 384 ? 90.596 42.568 19.468 1.00 20.36 ? ? ? ? ? ? 384 SER A OG 1 -ATOM 2927 N N . GLU A 1 385 ? 91.348 42.148 16.150 1.00 22.70 ? ? ? ? ? ? 385 GLU A N 1 -ATOM 2928 C CA . GLU A 1 385 ? 92.013 42.999 15.171 1.00 23.56 ? ? ? ? ? ? 385 GLU A CA 1 -ATOM 2929 C C . GLU A 1 385 ? 91.837 42.426 13.776 1.00 24.34 ? ? ? ? ? ? 385 GLU A C 1 -ATOM 2930 O O . GLU A 1 385 ? 92.342 43.009 12.804 1.00 25.88 ? ? ? ? ? ? 385 GLU A O 1 -ATOM 2931 C CB . GLU A 1 385 ? 93.523 43.041 15.422 1.00 24.62 ? ? ? ? ? ? 385 GLU A CB 1 -ATOM 2932 C CG . GLU A 1 385 ? 93.930 43.305 16.853 1.00 28.75 ? ? ? ? ? ? 385 GLU A CG 1 -ATOM 2933 C CD . GLU A 1 385 ? 95.422 43.096 17.093 1.00 30.84 ? ? ? ? ? ? 385 GLU A CD 1 -ATOM 2934 O OE1 . GLU A 1 385 ? 96.085 42.412 16.269 1.00 30.79 ? ? ? ? ? ? 385 GLU A OE1 1 -ATOM 2935 O OE2 . GLU A 1 385 ? 95.926 43.611 18.123 1.00 31.77 ? ? ? ? ? ? 385 GLU A OE2 1 -ATOM 2936 N N . LEU A 1 386 ? 91.164 41.276 13.666 1.00 23.56 ? ? ? ? ? ? 386 LEU A N 1 -ATOM 2937 C CA . LEU A 1 386 ? 91.004 40.594 12.372 1.00 21.39 ? ? ? ? ? ? 386 LEU A CA 1 -ATOM 2938 C C . LEU A 1 386 ? 90.614 41.517 11.238 1.00 20.54 ? ? ? ? ? ? 386 LEU A C 1 -ATOM 2939 O O . LEU A 1 386 ? 91.349 41.640 10.265 1.00 20.93 ? ? ? ? ? ? 386 LEU A O 1 -ATOM 2940 C CB . LEU A 1 386 ? 90.039 39.393 12.465 1.00 20.11 ? ? ? ? ? ? 386 LEU A CB 1 -ATOM 2941 C CG . LEU A 1 386 ? 89.857 38.463 11.242 1.00 18.69 ? ? ? ? ? ? 386 LEU A CG 1 -ATOM 2942 C CD1 . LEU A 1 386 ? 91.183 37.958 10.697 1.00 16.14 ? ? ? ? ? ? 386 LEU A CD1 1 -ATOM 2943 C CD2 . LEU A 1 386 ? 88.968 37.295 11.603 1.00 15.61 ? ? ? ? ? ? 386 LEU A CD2 1 -ATOM 2944 N N . PRO A 1 387 ? 89.518 42.266 11.397 1.00 19.51 ? ? ? ? ? ? 387 PRO A N 1 -ATOM 2945 C CA . PRO A 1 387 ? 89.087 43.175 10.331 1.00 19.37 ? ? ? ? ? ? 387 PRO A CA 1 -ATOM 2946 C C . PRO A 1 387 ? 90.165 44.173 9.914 1.00 19.17 ? ? ? ? ? ? 387 PRO A C 1 -ATOM 2947 O O . PRO A 1 387 ? 90.237 44.567 8.752 1.00 20.79 ? ? ? ? ? ? 387 PRO A O 1 -ATOM 2948 C CB . PRO A 1 387 ? 87.883 43.890 10.955 1.00 19.69 ? ? ? ? ? ? 387 PRO A CB 1 -ATOM 2949 C CG . PRO A 1 387 ? 87.362 42.918 11.978 1.00 19.36 ? ? ? ? ? ? 387 PRO A CG 1 -ATOM 2950 C CD . PRO A 1 387 ? 88.647 42.390 12.579 1.00 19.46 ? ? ? ? ? ? 387 PRO A CD 1 -ATOM 2951 N N . HIS A 1 388 ? 91.009 44.571 10.858 1.00 18.63 ? ? ? ? ? ? 388 HIS A N 1 -ATOM 2952 C CA . HIS A 1 388 ? 92.063 45.529 10.578 1.00 17.97 ? ? ? ? ? ? 388 HIS A CA 1 -ATOM 2953 C C . HIS A 1 388 ? 93.238 44.918 9.845 1.00 19.34 ? ? ? ? ? ? 388 HIS A C 1 -ATOM 2954 O O . HIS A 1 388 ? 93.843 45.574 8.991 1.00 18.29 ? ? ? ? ? ? 388 HIS A O 1 -ATOM 2955 C CB . HIS A 1 388 ? 92.581 46.165 11.854 1.00 16.39 ? ? ? ? ? ? 388 HIS A CB 1 -ATOM 2956 C CG . HIS A 1 388 ? 93.877 46.880 11.664 1.00 16.72 ? ? ? ? ? ? 388 HIS A CG 1 -ATOM 2957 N ND1 . HIS A 1 388 ? 93.952 48.132 11.090 1.00 17.75 ? ? ? ? ? ? 388 HIS A ND1 1 -ATOM 2958 C CD2 . HIS A 1 388 ? 95.153 46.495 11.905 1.00 16.32 ? ? ? ? ? ? 388 HIS A CD2 1 -ATOM 2959 C CE1 . HIS A 1 388 ? 95.221 48.486 10.982 1.00 19.42 ? ? ? ? ? ? 388 HIS A CE1 1 -ATOM 2960 N NE2 . HIS A 1 388 ? 95.969 47.509 11.468 1.00 18.61 ? ? ? ? ? ? 388 HIS A NE2 1 -ATOM 2961 N N . ARG A 1 389 ? 93.631 43.716 10.273 1.00 20.76 ? ? ? ? ? ? 389 ARG A N 1 -ATOM 2962 C CA . ARG A 1 389 ? 94.755 42.990 9.673 1.00 20.67 ? ? ? ? ? ? 389 ARG A CA 1 -ATOM 2963 C C . ARG A 1 389 ? 94.343 42.532 8.281 1.00 21.23 ? ? ? ? ? ? 389 ARG A C 1 -ATOM 2964 O O . ARG A 1 389 ? 95.110 42.607 7.319 1.00 20.82 ? ? ? ? ? ? 389 ARG A O 1 -ATOM 2965 C CB . ARG A 1 389 ? 95.065 41.744 10.494 1.00 21.73 ? ? ? ? ? ? 389 ARG A CB 1 -ATOM 2966 C CG . ARG A 1 389 ? 95.352 41.971 11.950 1.00 22.04 ? ? ? ? ? ? 389 ARG A CG 1 -ATOM 2967 C CD . ARG A 1 389 ? 96.709 42.528 12.159 1.00 21.52 ? ? ? ? ? ? 389 ARG A CD 1 -ATOM 2968 N NE . ARG A 1 389 ? 96.797 43.053 13.505 1.00 24.80 ? ? ? ? ? ? 389 ARG A NE 1 -ATOM 2969 C CZ . ARG A 1 389 ? 97.826 43.738 13.976 1.00 25.56 ? ? ? ? ? ? 389 ARG A CZ 1 -ATOM 2970 N NH1 . ARG A 1 389 ? 98.880 43.972 13.208 1.00 26.44 ? ? ? ? ? ? 389 ARG A NH1 1 -ATOM 2971 N NH2 . ARG A 1 389 ? 97.770 44.242 15.198 1.00 25.66 ? ? ? ? ? ? 389 ARG A NH2 1 -ATOM 2972 N N . ALA A 1 390 ? 93.111 42.052 8.206 1.00 20.85 ? ? ? ? ? ? 390 ALA A N 1 -ATOM 2973 C CA . ALA A 1 390 ? 92.525 41.558 6.992 1.00 20.62 ? ? ? ? ? ? 390 ALA A CA 1 -ATOM 2974 C C . ALA A 1 390 ? 92.489 42.648 5.952 1.00 21.48 ? ? ? ? ? ? 390 ALA A C 1 -ATOM 2975 O O . ALA A 1 390 ? 92.852 42.441 4.801 1.00 22.89 ? ? ? ? ? ? 390 ALA A O 1 -ATOM 2976 C CB . ALA A 1 390 ? 91.137 41.089 7.285 1.00 20.67 ? ? ? ? ? ? 390 ALA A CB 1 -ATOM 2977 N N . ALA A 1 391 ? 92.043 43.823 6.360 1.00 23.00 ? ? ? ? ? ? 391 ALA A N 1 -ATOM 2978 C CA . ALA A 1 391 ? 91.942 44.945 5.433 1.00 23.13 ? ? ? ? ? ? 391 ALA A CA 1 -ATOM 2979 C C . ALA A 1 391 ? 93.301 45.353 4.946 1.00 22.04 ? ? ? ? ? ? 391 ALA A C 1 -ATOM 2980 O O . ALA A 1 391 ? 93.472 45.684 3.790 1.00 24.54 ? ? ? ? ? ? 391 ALA A O 1 -ATOM 2981 C CB . ALA A 1 391 ? 91.262 46.124 6.103 1.00 22.99 ? ? ? ? ? ? 391 ALA A CB 1 -ATOM 2982 N N . HIS A 1 392 ? 94.279 45.295 5.835 1.00 20.97 ? ? ? ? ? ? 392 HIS A N 1 -ATOM 2983 C CA . HIS A 1 392 ? 95.622 45.697 5.495 1.00 20.21 ? ? ? ? ? ? 392 HIS A CA 1 -ATOM 2984 C C . HIS A 1 392 ? 96.401 44.640 4.744 1.00 20.85 ? ? ? ? ? ? 392 HIS A C 1 -ATOM 2985 O O . HIS A 1 392 ? 97.517 44.893 4.305 1.00 22.58 ? ? ? ? ? ? 392 HIS A O 1 -ATOM 2986 C CB . HIS A 1 392 ? 96.370 46.128 6.754 1.00 19.33 ? ? ? ? ? ? 392 HIS A CB 1 -ATOM 2987 C CG . HIS A 1 392 ? 96.039 47.516 7.206 1.00 20.81 ? ? ? ? ? ? 392 HIS A CG 1 -ATOM 2988 N ND1 . HIS A 1 392 ? 96.923 48.565 7.101 1.00 23.52 ? ? ? ? ? ? 392 HIS A ND1 1 -ATOM 2989 C CD2 . HIS A 1 392 ? 94.917 48.033 7.764 1.00 22.61 ? ? ? ? ? ? 392 HIS A CD2 1 -ATOM 2990 C CE1 . HIS A 1 392 ? 96.365 49.668 7.574 1.00 23.53 ? ? ? ? ? ? 392 HIS A CE1 1 -ATOM 2991 N NE2 . HIS A 1 392 ? 95.146 49.370 7.981 1.00 22.70 ? ? ? ? ? ? 392 HIS A NE2 1 -ATOM 2992 N N . GLY A 1 393 ? 95.821 43.456 4.588 1.00 21.10 ? ? ? ? ? ? 393 GLY A N 1 -ATOM 2993 C CA . GLY A 1 393 ? 96.516 42.385 3.890 1.00 20.38 ? ? ? ? ? ? 393 GLY A CA 1 -ATOM 2994 C C . GLY A 1 393 ? 97.604 41.837 4.787 1.00 20.62 ? ? ? ? ? ? 393 GLY A C 1 -ATOM 2995 O O . GLY A 1 393 ? 98.586 41.241 4.338 1.00 22.41 ? ? ? ? ? ? 393 GLY A O 1 -ATOM 2996 N N . GLU A 1 394 ? 97.424 42.064 6.076 1.00 19.26 ? ? ? ? ? ? 394 GLU A N 1 -ATOM 2997 C CA . GLU A 1 394 ? 98.357 41.620 7.079 1.00 19.22 ? ? ? ? ? ? 394 GLU A CA 1 -ATOM 2998 C C . GLU A 1 394 ? 98.035 40.188 7.434 1.00 17.83 ? ? ? ? ? ? 394 GLU A C 1 -ATOM 2999 O O . GLU A 1 394 ? 98.892 39.459 7.909 1.00 19.33 ? ? ? ? ? ? 394 GLU A O 1 -ATOM 3000 C CB . GLU A 1 394 ? 98.192 42.497 8.294 1.00 21.88 ? ? ? ? ? ? 394 GLU A CB 1 -ATOM 3001 C CG . GLU A 1 394 ? 99.414 42.651 9.119 1.00 25.12 ? ? ? ? ? ? 394 GLU A CG 1 -ATOM 3002 C CD . GLU A 1 394 ? 99.473 44.028 9.706 1.00 27.34 ? ? ? ? ? ? 394 GLU A CD 1 -ATOM 3003 O OE1 . GLU A 1 394 ? 98.588 44.373 10.517 1.00 28.09 ? ? ? ? ? ? 394 GLU A OE1 1 -ATOM 3004 O OE2 . GLU A 1 394 ? 100.376 44.785 9.308 1.00 31.60 ? ? ? ? ? ? 394 GLU A OE2 1 -ATOM 3005 N N . VAL A 1 395 ? 96.771 39.819 7.263 1.00 16.11 ? ? ? ? ? ? 395 VAL A N 1 -ATOM 3006 C CA . VAL A 1 395 ? 96.267 38.473 7.521 1.00 14.17 ? ? ? ? ? ? 395 VAL A CA 1 -ATOM 3007 C C . VAL A 1 395 ? 95.499 38.082 6.252 1.00 15.06 ? ? ? ? ? ? 395 VAL A C 1 -ATOM 3008 O O . VAL A 1 395 ? 94.864 38.929 5.630 1.00 14.66 ? ? ? ? ? ? 395 VAL A O 1 -ATOM 3009 C CB . VAL A 1 395 ? 95.375 38.447 8.760 1.00 12.17 ? ? ? ? ? ? 395 VAL A CB 1 -ATOM 3010 C CG1 . VAL A 1 395 ? 94.562 37.203 8.788 1.00 11.61 ? ? ? ? ? ? 395 VAL A CG1 1 -ATOM 3011 C CG2 . VAL A 1 395 ? 96.232 38.524 10.005 1.00 10.86 ? ? ? ? ? ? 395 VAL A CG2 1 -ATOM 3012 N N . ARG A 1 396 ? 95.591 36.820 5.844 1.00 16.75 ? ? ? ? ? ? 396 ARG A N 1 -ATOM 3013 C CA . ARG A 1 396 ? 94.965 36.354 4.606 1.00 18.92 ? ? ? ? ? ? 396 ARG A CA 1 -ATOM 3014 C C . ARG A 1 396 ? 94.026 35.145 4.664 1.00 18.41 ? ? ? ? ? ? 396 ARG A C 1 -ATOM 3015 O O . ARG A 1 396 ? 93.382 34.788 3.658 1.00 18.51 ? ? ? ? ? ? 396 ARG A O 1 -ATOM 3016 C CB . ARG A 1 396 ? 96.041 36.125 3.535 1.00 21.32 ? ? ? ? ? ? 396 ARG A CB 1 -ATOM 3017 C CG . ARG A 1 396 ? 96.583 37.441 2.986 1.00 23.69 ? ? ? ? ? ? 396 ARG A CG 1 -ATOM 3018 C CD . ARG A 1 396 ? 97.775 37.254 2.093 1.00 25.41 ? ? ? ? ? ? 396 ARG A CD 1 -ATOM 3019 N NE . ARG A 1 396 ? 98.411 38.549 1.931 1.00 29.67 ? ? ? ? ? ? 396 ARG A NE 1 -ATOM 3020 C CZ . ARG A 1 396 ? 98.706 39.132 0.770 1.00 31.35 ? ? ? ? ? ? 396 ARG A CZ 1 -ATOM 3021 N NH1 . ARG A 1 396 ? 98.448 38.541 -0.395 1.00 29.34 ? ? ? ? ? ? 396 ARG A NH1 1 -ATOM 3022 N NH2 . ARG A 1 396 ? 99.254 40.341 0.786 1.00 32.99 ? ? ? ? ? ? 396 ARG A NH2 1 -ATOM 3023 N N . ALA A 1 397 ? 93.915 34.557 5.846 1.00 15.67 ? ? ? ? ? ? 397 ALA A N 1 -ATOM 3024 C CA . ALA A 1 397 ? 93.066 33.408 6.035 1.00 14.37 ? ? ? ? ? ? 397 ALA A CA 1 -ATOM 3025 C C . ALA A 1 397 ? 92.801 33.302 7.513 1.00 14.80 ? ? ? ? ? ? 397 ALA A C 1 -ATOM 3026 O O . ALA A 1 397 ? 93.649 33.676 8.327 1.00 17.16 ? ? ? ? ? ? 397 ALA A O 1 -ATOM 3027 C CB . ALA A 1 397 ? 93.763 32.162 5.540 1.00 14.11 ? ? ? ? ? ? 397 ALA A CB 1 -ATOM 3028 N N . ALA A 1 398 ? 91.615 32.840 7.873 1.00 13.40 ? ? ? ? ? ? 398 ALA A N 1 -ATOM 3029 C CA . ALA A 1 398 ? 91.292 32.680 9.275 1.00 14.32 ? ? ? ? ? ? 398 ALA A CA 1 -ATOM 3030 C C . ALA A 1 398 ? 90.713 31.303 9.477 1.00 14.19 ? ? ? ? ? ? 398 ALA A C 1 -ATOM 3031 O O . ALA A 1 398 ? 89.873 30.851 8.693 1.00 17.26 ? ? ? ? ? ? 398 ALA A O 1 -ATOM 3032 C CB . ALA A 1 398 ? 90.299 33.742 9.742 1.00 13.85 ? ? ? ? ? ? 398 ALA A CB 1 -ATOM 3033 N N . TYR A 1 399 ? 91.175 30.631 10.516 1.00 11.92 ? ? ? ? ? ? 399 TYR A N 1 -ATOM 3034 C CA . TYR A 1 399 ? 90.685 29.312 10.830 1.00 10.66 ? ? ? ? ? ? 399 TYR A CA 1 -ATOM 3035 C C . TYR A 1 399 ? 89.814 29.549 12.053 1.00 10.08 ? ? ? ? ? ? 399 TYR A C 1 -ATOM 3036 O O . TYR A 1 399 ? 90.258 29.354 13.178 1.00 11.34 ? ? ? ? ? ? 399 TYR A O 1 -ATOM 3037 C CB . TYR A 1 399 ? 91.869 28.378 11.141 1.00 9.35 ? ? ? ? ? ? 399 TYR A CB 1 -ATOM 3038 C CG . TYR A 1 399 ? 91.515 26.915 11.270 1.00 6.74 ? ? ? ? ? ? 399 TYR A CG 1 -ATOM 3039 C CD1 . TYR A 1 399 ? 90.187 26.510 11.379 1.00 7.90 ? ? ? ? ? ? 399 TYR A CD1 1 -ATOM 3040 C CD2 . TYR A 1 399 ? 92.505 25.937 11.314 1.00 5.35 ? ? ? ? ? ? 399 TYR A CD2 1 -ATOM 3041 C CE1 . TYR A 1 399 ? 89.848 25.175 11.538 1.00 8.03 ? ? ? ? ? ? 399 TYR A CE1 1 -ATOM 3042 C CE2 . TYR A 1 399 ? 92.180 24.592 11.468 1.00 6.29 ? ? ? ? ? ? 399 TYR A CE2 1 -ATOM 3043 C CZ . TYR A 1 399 ? 90.845 24.229 11.587 1.00 8.45 ? ? ? ? ? ? 399 TYR A CZ 1 -ATOM 3044 O OH . TYR A 1 399 ? 90.490 22.934 11.836 1.00 10.76 ? ? ? ? ? ? 399 TYR A OH 1 -ATOM 3045 N N . ILE A 1 400 ? 88.603 30.050 11.825 1.00 9.05 ? ? ? ? ? ? 400 ILE A N 1 -ATOM 3046 C CA . ILE A 1 400 ? 87.649 30.334 12.892 1.00 6.73 ? ? ? ? ? ? 400 ILE A CA 1 -ATOM 3047 C C . ILE A 1 400 ? 86.973 29.063 13.381 1.00 8.12 ? ? ? ? ? ? 400 ILE A C 1 -ATOM 3048 O O . ILE A 1 400 ? 86.272 28.387 12.624 1.00 9.84 ? ? ? ? ? ? 400 ILE A O 1 -ATOM 3049 C CB . ILE A 1 400 ? 86.586 31.316 12.409 1.00 5.14 ? ? ? ? ? ? 400 ILE A CB 1 -ATOM 3050 C CG1 . ILE A 1 400 ? 87.216 32.700 12.230 1.00 4.09 ? ? ? ? ? ? 400 ILE A CG1 1 -ATOM 3051 C CG2 . ILE A 1 400 ? 85.399 31.332 13.359 1.00 4.53 ? ? ? ? ? ? 400 ILE A CG2 1 -ATOM 3052 C CD1 . ILE A 1 400 ? 86.875 33.348 10.933 1.00 3.81 ? ? ? ? ? ? 400 ILE A CD1 1 -ATOM 3053 N N . MET A 1 401 ? 87.203 28.718 14.641 1.00 8.26 ? ? ? ? ? ? 401 MET A N 1 -ATOM 3054 C CA . MET A 1 401 ? 86.610 27.527 15.209 1.00 9.87 ? ? ? ? ? ? 401 MET A CA 1 -ATOM 3055 C C . MET A 1 401 ? 85.667 27.908 16.349 1.00 12.15 ? ? ? ? ? ? 401 MET A C 1 -ATOM 3056 O O . MET A 1 401 ? 85.870 28.914 17.026 1.00 14.59 ? ? ? ? ? ? 401 MET A O 1 -ATOM 3057 C CB . MET A 1 401 ? 87.704 26.586 15.713 1.00 9.53 ? ? ? ? ? ? 401 MET A CB 1 -ATOM 3058 C CG . MET A 1 401 ? 87.193 25.376 16.510 1.00 9.40 ? ? ? ? ? ? 401 MET A CG 1 -ATOM 3059 S SD . MET A 1 401 ? 88.529 24.285 17.044 1.00 8.39 ? ? ? ? ? ? 401 MET A SD 1 -ATOM 3060 C CE . MET A 1 401 ? 89.008 25.066 18.606 1.00 7.37 ? ? ? ? ? ? 401 MET A CE 1 -ATOM 3061 N N . GLY A 1 402 ? 84.594 27.141 16.493 1.00 11.87 ? ? ? ? ? ? 402 GLY A N 1 -ATOM 3062 C CA . GLY A 1 402 ? 83.624 27.351 17.548 1.00 11.72 ? ? ? ? ? ? 402 GLY A CA 1 -ATOM 3063 C C . GLY A 1 402 ? 83.281 28.760 17.953 1.00 12.52 ? ? ? ? ? ? 402 GLY A C 1 -ATOM 3064 O O . GLY A 1 402 ? 83.252 29.079 19.156 1.00 11.60 ? ? ? ? ? ? 402 GLY A O 1 -ATOM 3065 N N . GLU A 1 403 ? 83.002 29.604 16.963 1.00 13.98 ? ? ? ? ? ? 403 GLU A N 1 -ATOM 3066 C CA . GLU A 1 403 ? 82.639 31.001 17.233 1.00 14.07 ? ? ? ? ? ? 403 GLU A CA 1 -ATOM 3067 C C . GLU A 1 403 ? 81.666 31.559 16.211 1.00 14.20 ? ? ? ? ? ? 403 GLU A C 1 -ATOM 3068 O O . GLU A 1 403 ? 81.621 31.097 15.073 1.00 13.09 ? ? ? ? ? ? 403 GLU A O 1 -ATOM 3069 C CB . GLU A 1 403 ? 83.863 31.888 17.202 1.00 12.91 ? ? ? ? ? ? 403 GLU A CB 1 -ATOM 3070 C CG . GLU A 1 403 ? 84.916 31.538 18.179 1.00 14.27 ? ? ? ? ? ? 403 GLU A CG 1 -ATOM 3071 C CD . GLU A 1 403 ? 85.936 32.634 18.298 1.00 17.75 ? ? ? ? ? ? 403 GLU A CD 1 -ATOM 3072 O OE1 . GLU A 1 403 ? 85.881 33.567 17.442 1.00 18.36 ? ? ? ? ? ? 403 GLU A OE1 1 -ATOM 3073 O OE2 . GLU A 1 403 ? 86.768 32.569 19.253 1.00 17.28 ? ? ? ? ? ? 403 GLU A OE2 1 -ATOM 3074 N N . ASP A 1 404 ? 80.929 32.592 16.609 1.00 15.10 ? ? ? ? ? ? 404 ASP A N 1 -ATOM 3075 C CA . ASP A 1 404 ? 79.995 33.234 15.704 1.00 15.95 ? ? ? ? ? ? 404 ASP A CA 1 -ATOM 3076 C C . ASP A 1 404 ? 80.224 34.731 15.629 1.00 17.63 ? ? ? ? ? ? 404 ASP A C 1 -ATOM 3077 O O . ASP A 1 404 ? 79.321 35.516 15.927 1.00 19.45 ? ? ? ? ? ? 404 ASP A O 1 -ATOM 3078 C CB . ASP A 1 404 ? 78.562 32.974 16.122 1.00 14.17 ? ? ? ? ? ? 404 ASP A CB 1 -ATOM 3079 C CG . ASP A 1 404 ? 77.599 33.208 15.002 1.00 14.29 ? ? ? ? ? ? 404 ASP A CG 1 -ATOM 3080 O OD1 . ASP A 1 404 ? 78.021 33.232 13.827 1.00 15.95 ? ? ? ? ? ? 404 ASP A OD1 1 -ATOM 3081 O OD2 . ASP A 1 404 ? 76.406 33.374 15.278 1.00 16.77 ? ? ? ? ? ? 404 ASP A OD2 1 -ATOM 3082 N N . PRO A 1 405 ? 81.403 35.153 15.142 1.00 18.78 ? ? ? ? ? ? 405 PRO A N 1 -ATOM 3083 C CA . PRO A 1 405 ? 81.704 36.584 15.043 1.00 18.73 ? ? ? ? ? ? 405 PRO A CA 1 -ATOM 3084 C C . PRO A 1 405 ? 80.647 37.419 14.327 1.00 18.93 ? ? ? ? ? ? 405 PRO A C 1 -ATOM 3085 O O . PRO A 1 405 ? 80.229 38.427 14.855 1.00 19.32 ? ? ? ? ? ? 405 PRO A O 1 -ATOM 3086 C CB . PRO A 1 405 ? 83.058 36.604 14.318 1.00 19.20 ? ? ? ? ? ? 405 PRO A CB 1 -ATOM 3087 C CG . PRO A 1 405 ? 83.044 35.352 13.508 1.00 18.88 ? ? ? ? ? ? 405 PRO A CG 1 -ATOM 3088 C CD . PRO A 1 405 ? 82.454 34.359 14.481 1.00 18.98 ? ? ? ? ? ? 405 PRO A CD 1 -ATOM 3089 N N . LEU A 1 406 ? 80.158 36.944 13.183 1.00 20.35 ? ? ? ? ? ? 406 LEU A N 1 -ATOM 3090 C CA . LEU A 1 406 ? 79.152 37.659 12.396 1.00 20.72 ? ? ? ? ? ? 406 LEU A CA 1 -ATOM 3091 C C . LEU A 1 406 ? 77.846 37.935 13.115 1.00 21.74 ? ? ? ? ? ? 406 LEU A C 1 -ATOM 3092 O O . LEU A 1 406 ? 76.890 38.393 12.506 1.00 24.87 ? ? ? ? ? ? 406 LEU A O 1 -ATOM 3093 C CB . LEU A 1 406 ? 78.835 36.930 11.090 1.00 19.86 ? ? ? ? ? ? 406 LEU A CB 1 -ATOM 3094 C CG . LEU A 1 406 ? 79.776 37.057 9.894 1.00 18.74 ? ? ? ? ? ? 406 LEU A CG 1 -ATOM 3095 C CD1 . LEU A 1 406 ? 79.154 36.357 8.735 1.00 19.43 ? ? ? ? ? ? 406 LEU A CD1 1 -ATOM 3096 C CD2 . LEU A 1 406 ? 79.994 38.483 9.522 1.00 19.16 ? ? ? ? ? ? 406 LEU A CD2 1 -ATOM 3097 N N . GLN A 1 407 ? 77.776 37.634 14.397 1.00 22.11 ? ? ? ? ? ? 407 GLN A N 1 -ATOM 3098 C CA . GLN A 1 407 ? 76.578 37.894 15.171 1.00 21.83 ? ? ? ? ? ? 407 GLN A CA 1 -ATOM 3099 C C . GLN A 1 407 ? 77.050 38.451 16.521 1.00 23.44 ? ? ? ? ? ? 407 GLN A C 1 -ATOM 3100 O O . GLN A 1 407 ? 76.409 39.340 17.079 1.00 24.56 ? ? ? ? ? ? 407 GLN A O 1 -ATOM 3101 C CB . GLN A 1 407 ? 75.782 36.596 15.313 1.00 20.46 ? ? ? ? ? ? 407 GLN A CB 1 -ATOM 3102 C CG . GLN A 1 407 ? 74.797 36.538 16.453 1.00 21.64 ? ? ? ? ? ? 407 GLN A CG 1 -ATOM 3103 C CD . GLN A 1 407 ? 73.629 37.482 16.282 1.00 24.98 ? ? ? ? ? ? 407 GLN A CD 1 -ATOM 3104 O OE1 . GLN A 1 407 ? 73.207 37.772 15.166 1.00 25.59 ? ? ? ? ? ? 407 GLN A OE1 1 -ATOM 3105 N NE2 . GLN A 1 407 ? 73.061 37.930 17.398 1.00 27.35 ? ? ? ? ? ? 407 GLN A NE2 1 -ATOM 3106 N N . THR A 1 408 ? 78.202 37.999 17.018 1.00 23.32 ? ? ? ? ? ? 408 THR A N 1 -ATOM 3107 C CA . THR A 1 408 ? 78.694 38.485 18.309 1.00 23.78 ? ? ? ? ? ? 408 THR A CA 1 -ATOM 3108 C C . THR A 1 408 ? 79.733 39.615 18.330 1.00 24.93 ? ? ? ? ? ? 408 THR A C 1 -ATOM 3109 O O . THR A 1 408 ? 79.883 40.308 19.354 1.00 24.83 ? ? ? ? ? ? 408 THR A O 1 -ATOM 3110 C CB . THR A 1 408 ? 79.226 37.352 19.151 1.00 22.53 ? ? ? ? ? ? 408 THR A CB 1 -ATOM 3111 O OG1 . THR A 1 408 ? 79.968 36.460 18.317 1.00 22.22 ? ? ? ? ? ? 408 THR A OG1 1 -ATOM 3112 C CG2 . THR A 1 408 ? 78.096 36.637 19.834 1.00 22.48 ? ? ? ? ? ? 408 THR A CG2 1 -ATOM 3113 N N . ASP A 1 409 ? 80.446 39.799 17.222 1.00 24.22 ? ? ? ? ? ? 409 ASP A N 1 -ATOM 3114 C CA . ASP A 1 409 ? 81.452 40.840 17.149 1.00 24.68 ? ? ? ? ? ? 409 ASP A CA 1 -ATOM 3115 C C . ASP A 1 409 ? 80.842 42.220 17.045 1.00 24.40 ? ? ? ? ? ? 409 ASP A C 1 -ATOM 3116 O O . ASP A 1 409 ? 79.802 42.396 16.426 1.00 24.23 ? ? ? ? ? ? 409 ASP A O 1 -ATOM 3117 C CB . ASP A 1 409 ? 82.385 40.587 15.982 1.00 27.55 ? ? ? ? ? ? 409 ASP A CB 1 -ATOM 3118 C CG . ASP A 1 409 ? 83.376 39.471 16.264 1.00 32.04 ? ? ? ? ? ? 409 ASP A CG 1 -ATOM 3119 O OD1 . ASP A 1 409 ? 83.061 38.567 17.080 1.00 35.66 ? ? ? ? ? ? 409 ASP A OD1 1 -ATOM 3120 O OD2 . ASP A 1 409 ? 84.479 39.499 15.680 1.00 34.22 ? ? ? ? ? ? 409 ASP A OD2 1 -ATOM 3121 N N . ALA A 1 410 ? 81.462 43.185 17.721 1.00 24.40 ? ? ? ? ? ? 410 ALA A N 1 -ATOM 3122 C CA . ALA A 1 410 ? 80.997 44.575 17.694 1.00 23.58 ? ? ? ? ? ? 410 ALA A CA 1 -ATOM 3123 C C . ALA A 1 410 ? 81.146 45.107 16.283 1.00 22.23 ? ? ? ? ? ? 410 ALA A C 1 -ATOM 3124 O O . ALA A 1 410 ? 82.099 44.770 15.595 1.00 22.61 ? ? ? ? ? ? 410 ALA A O 1 -ATOM 3125 C CB . ALA A 1 410 ? 81.803 45.428 18.669 1.00 22.96 ? ? ? ? ? ? 410 ALA A CB 1 -ATOM 3126 N N . GLU A 1 411 ? 80.164 45.868 15.825 1.00 23.14 ? ? ? ? ? ? 411 GLU A N 1 -ATOM 3127 C CA . GLU A 1 411 ? 80.223 46.439 14.478 1.00 24.82 ? ? ? ? ? ? 411 GLU A CA 1 -ATOM 3128 C C . GLU A 1 411 ? 80.209 45.366 13.364 1.00 25.12 ? ? ? ? ? ? 411 GLU A C 1 -ATOM 3129 O O . GLU A 1 411 ? 81.062 45.364 12.466 1.00 24.19 ? ? ? ? ? ? 411 GLU A O 1 -ATOM 3130 C CB . GLU A 1 411 ? 81.474 47.311 14.374 1.00 25.23 ? ? ? ? ? ? 411 GLU A CB 1 -ATOM 3131 C CG . GLU A 1 411 ? 81.534 48.194 13.165 1.00 26.95 ? ? ? ? ? ? 411 GLU A CG 1 -ATOM 3132 C CD . GLU A 1 411 ? 82.203 49.505 13.465 1.00 28.55 ? ? ? ? ? ? 411 GLU A CD 1 -ATOM 3133 O OE1 . GLU A 1 411 ? 82.554 49.752 14.647 1.00 29.63 ? ? ? ? ? ? 411 GLU A OE1 1 -ATOM 3134 O OE2 . GLU A 1 411 ? 82.353 50.303 12.518 1.00 28.78 ? ? ? ? ? ? 411 GLU A OE2 1 -ATOM 3135 N N . LEU A 1 412 ? 79.210 44.483 13.413 1.00 24.87 ? ? ? ? ? ? 412 LEU A N 1 -ATOM 3136 C CA . LEU A 1 412 ? 79.042 43.393 12.447 1.00 23.63 ? ? ? ? ? ? 412 LEU A CA 1 -ATOM 3137 C C . LEU A 1 412 ? 79.291 43.735 10.955 1.00 23.36 ? ? ? ? ? ? 412 LEU A C 1 -ATOM 3138 O O . LEU A 1 412 ? 79.684 42.866 10.166 1.00 20.58 ? ? ? ? ? ? 412 LEU A O 1 -ATOM 3139 C CB . LEU A 1 412 ? 77.664 42.753 12.643 1.00 22.40 ? ? ? ? ? ? 412 LEU A CB 1 -ATOM 3140 C CG . LEU A 1 412 ? 77.400 42.182 14.045 1.00 21.12 ? ? ? ? ? ? 412 LEU A CG 1 -ATOM 3141 C CD1 . LEU A 1 412 ? 76.019 41.557 14.113 1.00 20.00 ? ? ? ? ? ? 412 LEU A CD1 1 -ATOM 3142 C CD2 . LEU A 1 412 ? 78.445 41.140 14.367 1.00 20.60 ? ? ? ? ? ? 412 LEU A CD2 1 -ATOM 3143 N N . SER A 1 413 ? 79.094 44.998 10.585 1.00 24.62 ? ? ? ? ? ? 413 SER A N 1 -ATOM 3144 C CA . SER A 1 413 ? 79.333 45.424 9.205 1.00 26.60 ? ? ? ? ? ? 413 SER A CA 1 -ATOM 3145 C C . SER A 1 413 ? 80.820 45.310 8.920 1.00 27.56 ? ? ? ? ? ? 413 SER A C 1 -ATOM 3146 O O . SER A 1 413 ? 81.225 44.932 7.815 1.00 29.40 ? ? ? ? ? ? 413 SER A O 1 -ATOM 3147 C CB . SER A 1 413 ? 78.856 46.866 8.973 1.00 27.55 ? ? ? ? ? ? 413 SER A CB 1 -ATOM 3148 O OG . SER A 1 413 ? 79.484 47.790 9.847 1.00 28.83 ? ? ? ? ? ? 413 SER A OG 1 -ATOM 3149 N N . ALA A 1 414 ? 81.627 45.606 9.937 1.00 27.81 ? ? ? ? ? ? 414 ALA A N 1 -ATOM 3150 C CA . ALA A 1 414 ? 83.084 45.522 9.833 1.00 27.53 ? ? ? ? ? ? 414 ALA A CA 1 -ATOM 3151 C C . ALA A 1 414 ? 83.532 44.088 9.625 1.00 27.58 ? ? ? ? ? ? 414 ALA A C 1 -ATOM 3152 O O . ALA A 1 414 ? 84.352 43.815 8.754 1.00 28.01 ? ? ? ? ? ? 414 ALA A O 1 -ATOM 3153 C CB . ALA A 1 414 ? 83.738 46.089 11.080 1.00 27.08 ? ? ? ? ? ? 414 ALA A CB 1 -ATOM 3154 N N . VAL A 1 415 ? 82.976 43.166 10.405 1.00 28.64 ? ? ? ? ? ? 415 VAL A N 1 -ATOM 3155 C CA . VAL A 1 415 ? 83.343 41.756 10.301 1.00 30.02 ? ? ? ? ? ? 415 VAL A CA 1 -ATOM 3156 C C . VAL A 1 415 ? 82.935 41.158 8.964 1.00 30.61 ? ? ? ? ? ? 415 VAL A C 1 -ATOM 3157 O O . VAL A 1 415 ? 83.566 40.227 8.486 1.00 29.59 ? ? ? ? ? ? 415 VAL A O 1 -ATOM 3158 C CB . VAL A 1 415 ? 82.731 40.914 11.425 1.00 30.47 ? ? ? ? ? ? 415 VAL A CB 1 -ATOM 3159 C CG1 . VAL A 1 415 ? 83.314 39.504 11.398 1.00 31.16 ? ? ? ? ? ? 415 VAL A CG1 1 -ATOM 3160 C CG2 . VAL A 1 415 ? 82.989 41.570 12.763 1.00 31.68 ? ? ? ? ? ? 415 VAL A CG2 1 -ATOM 3161 N N . ARG A 1 416 ? 81.859 41.670 8.378 1.00 32.36 ? ? ? ? ? ? 416 ARG A N 1 -ATOM 3162 C CA . ARG A 1 416 ? 81.440 41.163 7.086 1.00 33.82 ? ? ? ? ? ? 416 ARG A CA 1 -ATOM 3163 C C . ARG A 1 416 ? 82.520 41.489 6.050 1.00 34.19 ? ? ? ? ? ? 416 ARG A C 1 -ATOM 3164 O O . ARG A 1 416 ? 83.064 40.580 5.431 1.00 35.06 ? ? ? ? ? ? 416 ARG A O 1 -ATOM 3165 C CB . ARG A 1 416 ? 80.072 41.715 6.700 1.00 34.53 ? ? ? ? ? ? 416 ARG A CB 1 -ATOM 3166 C CG . ARG A 1 416 ? 78.958 41.183 7.600 1.00 37.19 ? ? ? ? ? ? 416 ARG A CG 1 -ATOM 3167 C CD . ARG A 1 416 ? 77.615 41.811 7.301 1.00 39.03 ? ? ? ? ? ? 416 ARG A CD 1 -ATOM 3168 N NE . ARG A 1 416 ? 76.858 41.109 6.274 1.00 43.55 ? ? ? ? ? ? 416 ARG A NE 1 -ATOM 3169 C CZ . ARG A 1 416 ? 76.314 41.687 5.203 1.00 46.12 ? ? ? ? ? ? 416 ARG A CZ 1 -ATOM 3170 N NH1 . ARG A 1 416 ? 76.452 42.996 5.003 1.00 47.29 ? ? ? ? ? ? 416 ARG A NH1 1 -ATOM 3171 N NH2 . ARG A 1 416 ? 75.598 40.958 4.345 1.00 45.66 ? ? ? ? ? ? 416 ARG A NH2 1 -ATOM 3172 N N . LYS A 1 417 ? 82.892 42.763 5.922 1.00 33.52 ? ? ? ? ? ? 417 LYS A N 1 -ATOM 3173 C CA . LYS A 1 417 ? 83.933 43.160 4.968 1.00 32.11 ? ? ? ? ? ? 417 LYS A CA 1 -ATOM 3174 C C . LYS A 1 417 ? 85.194 42.371 5.284 1.00 31.03 ? ? ? ? ? ? 417 LYS A C 1 -ATOM 3175 O O . LYS A 1 417 ? 85.952 42.003 4.377 1.00 30.83 ? ? ? ? ? ? 417 LYS A O 1 -ATOM 3176 C CB . LYS A 1 417 ? 84.253 44.651 5.105 1.00 33.36 ? ? ? ? ? ? 417 LYS A CB 1 -ATOM 3177 C CG . LYS A 1 417 ? 85.126 45.214 3.995 1.00 35.54 ? ? ? ? ? ? 417 LYS A CG 1 -ATOM 3178 C CD . LYS A 1 417 ? 84.304 45.474 2.735 1.00 39.62 ? ? ? ? ? ? 417 LYS A CD 1 -ATOM 3179 C CE . LYS A 1 417 ? 85.030 46.410 1.737 1.00 42.48 ? ? ? ? ? ? 417 LYS A CE 1 -ATOM 3180 N NZ . LYS A 1 417 ? 84.127 47.030 0.696 1.00 40.95 ? ? ? ? ? ? 417 LYS A NZ 1 -ATOM 3181 N N . ALA A 1 418 ? 85.426 42.131 6.578 1.00 29.29 ? ? ? ? ? ? 418 ALA A N 1 -ATOM 3182 C CA . ALA A 1 418 ? 86.598 41.386 7.030 1.00 26.40 ? ? ? ? ? ? 418 ALA A CA 1 -ATOM 3183 C C . ALA A 1 418 ? 86.555 40.041 6.339 1.00 24.98 ? ? ? ? ? ? 418 ALA A C 1 -ATOM 3184 O O . ALA A 1 418 ? 87.502 39.665 5.643 1.00 25.06 ? ? ? ? ? ? 418 ALA A O 1 -ATOM 3185 C CB . ALA A 1 418 ? 86.593 41.217 8.552 1.00 24.14 ? ? ? ? ? ? 418 ALA A CB 1 -ATOM 3186 N N . PHE A 1 419 ? 85.415 39.367 6.463 1.00 23.54 ? ? ? ? ? ? 419 PHE A N 1 -ATOM 3187 C CA . PHE A 1 419 ? 85.205 38.068 5.837 1.00 23.49 ? ? ? ? ? ? 419 PHE A CA 1 -ATOM 3188 C C . PHE A 1 419 ? 85.366 38.173 4.326 1.00 22.97 ? ? ? ? ? ? 419 PHE A C 1 -ATOM 3189 O O . PHE A 1 419 ? 85.733 37.209 3.679 1.00 22.59 ? ? ? ? ? ? 419 PHE A O 1 -ATOM 3190 C CB . PHE A 1 419 ? 83.811 37.525 6.183 1.00 23.54 ? ? ? ? ? ? 419 PHE A CB 1 -ATOM 3191 C CG . PHE A 1 419 ? 83.799 36.557 7.351 1.00 23.71 ? ? ? ? ? ? 419 PHE A CG 1 -ATOM 3192 C CD1 . PHE A 1 419 ? 84.694 36.701 8.407 1.00 23.63 ? ? ? ? ? ? 419 PHE A CD1 1 -ATOM 3193 C CD2 . PHE A 1 419 ? 82.914 35.476 7.365 1.00 22.49 ? ? ? ? ? ? 419 PHE A CD2 1 -ATOM 3194 C CE1 . PHE A 1 419 ? 84.714 35.782 9.449 1.00 23.57 ? ? ? ? ? ? 419 PHE A CE1 1 -ATOM 3195 C CE2 . PHE A 1 419 ? 82.929 34.552 8.397 1.00 21.95 ? ? ? ? ? ? 419 PHE A CE2 1 -ATOM 3196 C CZ . PHE A 1 419 ? 83.826 34.701 9.441 1.00 23.75 ? ? ? ? ? ? 419 PHE A CZ 1 -ATOM 3197 N N . GLU A 1 420 ? 85.133 39.371 3.798 1.00 25.06 ? ? ? ? ? ? 420 GLU A N 1 -ATOM 3198 C CA . GLU A 1 420 ? 85.220 39.677 2.373 1.00 26.89 ? ? ? ? ? ? 420 GLU A CA 1 -ATOM 3199 C C . GLU A 1 420 ? 86.624 40.093 1.961 1.00 25.48 ? ? ? ? ? ? 420 GLU A C 1 -ATOM 3200 O O . GLU A 1 420 ? 86.941 40.076 0.781 1.00 26.50 ? ? ? ? ? ? 420 GLU A O 1 -ATOM 3201 C CB . GLU A 1 420 ? 84.197 40.773 1.995 1.00 31.93 ? ? ? ? ? ? 420 GLU A CB 1 -ATOM 3202 C CG . GLU A 1 420 ? 84.298 41.317 0.545 1.00 39.43 ? ? ? ? ? ? 420 GLU A CG 1 -ATOM 3203 C CD . GLU A 1 420 ? 84.218 42.871 0.445 1.00 43.98 ? ? ? ? ? ? 420 GLU A CD 1 -ATOM 3204 O OE1 . GLU A 1 420 ? 83.129 43.443 0.730 1.00 44.44 ? ? ? ? ? ? 420 GLU A OE1 1 -ATOM 3205 O OE2 . GLU A 1 420 ? 85.244 43.512 0.071 1.00 44.97 ? ? ? ? ? ? 420 GLU A OE2 1 -ATOM 3206 N N . ASP A 1 421 ? 87.463 40.478 2.918 1.00 24.55 ? ? ? ? ? ? 421 ASP A N 1 -ATOM 3207 C CA . ASP A 1 421 ? 88.833 40.869 2.597 1.00 24.29 ? ? ? ? ? ? 421 ASP A CA 1 -ATOM 3208 C C . ASP A 1 421 ? 89.841 39.733 2.755 1.00 25.04 ? ? ? ? ? ? 421 ASP A C 1 -ATOM 3209 O O . ASP A 1 421 ? 91.009 39.890 2.378 1.00 26.88 ? ? ? ? ? ? 421 ASP A O 1 -ATOM 3210 C CB . ASP A 1 421 ? 89.282 42.056 3.447 1.00 23.85 ? ? ? ? ? ? 421 ASP A CB 1 -ATOM 3211 C CG . ASP A 1 421 ? 88.623 43.372 3.038 1.00 24.55 ? ? ? ? ? ? 421 ASP A CG 1 -ATOM 3212 O OD1 . ASP A 1 421 ? 88.269 43.566 1.848 1.00 25.40 ? ? ? ? ? ? 421 ASP A OD1 1 -ATOM 3213 O OD2 . ASP A 1 421 ? 88.477 44.234 3.925 1.00 24.89 ? ? ? ? ? ? 421 ASP A OD2 1 -ATOM 3214 N N . LEU A 1 422 ? 89.412 38.613 3.348 1.00 24.46 ? ? ? ? ? ? 422 LEU A N 1 -ATOM 3215 C CA . LEU A 1 422 ? 90.284 37.450 3.567 1.00 22.19 ? ? ? ? ? ? 422 LEU A CA 1 -ATOM 3216 C C . LEU A 1 422 ? 90.268 36.548 2.345 1.00 21.65 ? ? ? ? ? ? 422 LEU A C 1 -ATOM 3217 O O . LEU A 1 422 ? 89.262 36.456 1.675 1.00 20.61 ? ? ? ? ? ? 422 LEU A O 1 -ATOM 3218 C CB . LEU A 1 422 ? 89.833 36.669 4.807 1.00 20.25 ? ? ? ? ? ? 422 LEU A CB 1 -ATOM 3219 C CG . LEU A 1 422 ? 89.999 37.367 6.164 1.00 19.06 ? ? ? ? ? ? 422 LEU A CG 1 -ATOM 3220 C CD1 . LEU A 1 422 ? 89.128 36.687 7.218 1.00 17.50 ? ? ? ? ? ? 422 LEU A CD1 1 -ATOM 3221 C CD2 . LEU A 1 422 ? 91.464 37.381 6.589 1.00 16.01 ? ? ? ? ? ? 422 LEU A CD2 1 -ATOM 3222 N N . GLU A 1 423 ? 91.399 35.922 2.032 1.00 23.18 ? ? ? ? ? ? 423 GLU A N 1 -ATOM 3223 C CA . GLU A 1 423 ? 91.490 35.031 0.873 1.00 23.12 ? ? ? ? ? ? 423 GLU A CA 1 -ATOM 3224 C C . GLU A 1 423 ? 90.620 33.832 1.144 1.00 24.07 ? ? ? ? ? ? 423 GLU A C 1 -ATOM 3225 O O . GLU A 1 423 ? 89.749 33.477 0.341 1.00 25.81 ? ? ? ? ? ? 423 GLU A O 1 -ATOM 3226 C CB . GLU A 1 423 ? 92.920 34.507 0.664 1.00 22.96 ? ? ? ? ? ? 423 GLU A CB 1 -ATOM 3227 C CG . GLU A 1 423 ? 93.939 35.488 0.096 1.00 26.88 ? ? ? ? ? ? 423 GLU A CG 1 -ATOM 3228 C CD . GLU A 1 423 ? 95.116 34.789 -0.611 1.00 29.98 ? ? ? ? ? ? 423 GLU A CD 1 -ATOM 3229 O OE1 . GLU A 1 423 ? 95.034 33.568 -0.898 1.00 32.59 ? ? ? ? ? ? 423 GLU A OE1 1 -ATOM 3230 O OE2 . GLU A 1 423 ? 96.119 35.466 -0.911 1.00 30.43 ? ? ? ? ? ? 423 GLU A OE2 1 -ATOM 3231 N N . LEU A 1 424 ? 90.888 33.211 2.293 1.00 23.46 ? ? ? ? ? ? 424 LEU A N 1 -ATOM 3232 C CA . LEU A 1 424 ? 90.214 32.004 2.740 1.00 21.25 ? ? ? ? ? ? 424 LEU A CA 1 -ATOM 3233 C C . LEU A 1 424 ? 89.680 32.172 4.152 1.00 21.17 ? ? ? ? ? ? 424 LEU A C 1 -ATOM 3234 O O . LEU A 1 424 ? 90.368 32.707 5.009 1.00 22.49 ? ? ? ? ? ? 424 LEU A O 1 -ATOM 3235 C CB . LEU A 1 424 ? 91.234 30.877 2.747 1.00 19.96 ? ? ? ? ? ? 424 LEU A CB 1 -ATOM 3236 C CG . LEU A 1 424 ? 90.807 29.538 3.315 1.00 19.72 ? ? ? ? ? ? 424 LEU A CG 1 -ATOM 3237 C CD1 . LEU A 1 424 ? 89.735 28.926 2.433 1.00 20.14 ? ? ? ? ? ? 424 LEU A CD1 1 -ATOM 3238 C CD2 . LEU A 1 424 ? 92.016 28.646 3.366 1.00 19.74 ? ? ? ? ? ? 424 LEU A CD2 1 -ATOM 3239 N N . VAL A 1 425 ? 88.474 31.675 4.403 1.00 20.09 ? ? ? ? ? ? 425 VAL A N 1 -ATOM 3240 C CA . VAL A 1 425 ? 87.847 31.745 5.721 1.00 17.38 ? ? ? ? ? ? 425 VAL A CA 1 -ATOM 3241 C C . VAL A 1 425 ? 87.282 30.356 6.045 1.00 17.21 ? ? ? ? ? ? 425 VAL A C 1 -ATOM 3242 O O . VAL A 1 425 ? 86.376 29.870 5.350 1.00 17.31 ? ? ? ? ? ? 425 VAL A O 1 -ATOM 3243 C CB . VAL A 1 425 ? 86.702 32.735 5.727 1.00 15.89 ? ? ? ? ? ? 425 VAL A CB 1 -ATOM 3244 C CG1 . VAL A 1 425 ? 85.944 32.649 7.055 1.00 15.93 ? ? ? ? ? ? 425 VAL A CG1 1 -ATOM 3245 C CG2 . VAL A 1 425 ? 87.228 34.128 5.476 1.00 15.42 ? ? ? ? ? ? 425 VAL A CG2 1 -ATOM 3246 N N . ILE A 1 426 ? 87.821 29.726 7.084 1.00 14.36 ? ? ? ? ? ? 426 ILE A N 1 -ATOM 3247 C CA . ILE A 1 426 ? 87.405 28.390 7.487 1.00 11.72 ? ? ? ? ? ? 426 ILE A CA 1 -ATOM 3248 C C . ILE A 1 426 ? 86.681 28.440 8.823 1.00 11.13 ? ? ? ? ? ? 426 ILE A C 1 -ATOM 3249 O O . ILE A 1 426 ? 87.213 28.957 9.814 1.00 10.41 ? ? ? ? ? ? 426 ILE A O 1 -ATOM 3250 C CB . ILE A 1 426 ? 88.628 27.475 7.644 1.00 11.31 ? ? ? ? ? ? 426 ILE A CB 1 -ATOM 3251 C CG1 . ILE A 1 426 ? 89.457 27.491 6.355 1.00 10.71 ? ? ? ? ? ? 426 ILE A CG1 1 -ATOM 3252 C CG2 . ILE A 1 426 ? 88.192 26.077 8.061 1.00 8.38 ? ? ? ? ? ? 426 ILE A CG2 1 -ATOM 3253 C CD1 . ILE A 1 426 ? 90.923 27.241 6.569 1.00 10.81 ? ? ? ? ? ? 426 ILE A CD1 1 -ATOM 3254 N N . VAL A 1 427 ? 85.480 27.879 8.849 1.00 8.58 ? ? ? ? ? ? 427 VAL A N 1 -ATOM 3255 C CA . VAL A 1 427 ? 84.694 27.860 10.056 1.00 6.23 ? ? ? ? ? ? 427 VAL A CA 1 -ATOM 3256 C C . VAL A 1 427 ? 84.491 26.439 10.468 1.00 5.34 ? ? ? ? ? ? 427 VAL A C 1 -ATOM 3257 O O . VAL A 1 427 ? 84.072 25.594 9.677 1.00 4.49 ? ? ? ? ? ? 427 VAL A O 1 -ATOM 3258 C CB . VAL A 1 427 ? 83.315 28.523 9.865 1.00 6.72 ? ? ? ? ? ? 427 VAL A CB 1 -ATOM 3259 C CG1 . VAL A 1 427 ? 82.455 28.340 11.120 1.00 7.65 ? ? ? ? ? ? 427 VAL A CG1 1 -ATOM 3260 C CG2 . VAL A 1 427 ? 83.484 29.997 9.558 1.00 6.71 ? ? ? ? ? ? 427 VAL A CG2 1 -ATOM 3261 N N . GLN A 1 428 ? 84.809 26.173 11.718 1.00 5.50 ? ? ? ? ? ? 428 GLN A N 1 -ATOM 3262 C CA . GLN A 1 428 ? 84.643 24.845 12.264 1.00 6.92 ? ? ? ? ? ? 428 GLN A CA 1 -ATOM 3263 C C . GLN A 1 428 ? 83.584 25.016 13.341 1.00 7.74 ? ? ? ? ? ? 428 GLN A C 1 -ATOM 3264 O O . GLN A 1 428 ? 83.827 25.608 14.406 1.00 5.56 ? ? ? ? ? ? 428 GLN A O 1 -ATOM 3265 C CB . GLN A 1 428 ? 85.960 24.340 12.845 1.00 7.28 ? ? ? ? ? ? 428 GLN A CB 1 -ATOM 3266 C CG . GLN A 1 428 ? 85.973 22.901 13.250 1.00 5.85 ? ? ? ? ? ? 428 GLN A CG 1 -ATOM 3267 C CD . GLN A 1 428 ? 87.360 22.369 13.191 1.00 9.28 ? ? ? ? ? ? 428 GLN A CD 1 -ATOM 3268 O OE1 . GLN A 1 428 ? 87.926 22.238 12.101 1.00 11.59 ? ? ? ? ? ? 428 GLN A OE1 1 -ATOM 3269 N NE2 . GLN A 1 428 ? 87.961 22.123 14.349 1.00 9.21 ? ? ? ? ? ? 428 GLN A NE2 1 -ATOM 3270 N N . ASP A 1 429 ? 82.393 24.529 13.035 1.00 7.95 ? ? ? ? ? ? 429 ASP A N 1 -ATOM 3271 C CA . ASP A 1 429 ? 81.301 24.659 13.944 1.00 9.28 ? ? ? ? ? ? 429 ASP A CA 1 -ATOM 3272 C C . ASP A 1 429 ? 80.447 23.399 13.939 1.00 11.16 ? ? ? ? ? ? 429 ASP A C 1 -ATOM 3273 O O . ASP A 1 429 ? 80.756 22.411 13.268 1.00 11.87 ? ? ? ? ? ? 429 ASP A O 1 -ATOM 3274 C CB . ASP A 1 429 ? 80.472 25.884 13.585 1.00 8.08 ? ? ? ? ? ? 429 ASP A CB 1 -ATOM 3275 C CG . ASP A 1 429 ? 79.801 26.493 14.781 1.00 9.58 ? ? ? ? ? ? 429 ASP A CG 1 -ATOM 3276 O OD1 . ASP A 1 429 ? 80.403 27.358 15.422 1.00 14.26 ? ? ? ? ? ? 429 ASP A OD1 1 -ATOM 3277 O OD2 . ASP A 1 429 ? 78.665 26.127 15.108 1.00 12.26 ? ? ? ? ? ? 429 ASP A OD2 1 -ATOM 3278 N N . ILE A 1 430 ? 79.355 23.487 14.688 1.00 10.56 ? ? ? ? ? ? 430 ILE A N 1 -ATOM 3279 C CA . ILE A 1 430 ? 78.407 22.444 14.924 1.00 8.04 ? ? ? ? ? ? 430 ILE A CA 1 -ATOM 3280 C C . ILE A 1 430 ? 77.012 22.886 14.413 1.00 9.17 ? ? ? ? ? ? 430 ILE A C 1 -ATOM 3281 O O . ILE A 1 430 ? 76.096 22.074 14.301 1.00 9.37 ? ? ? ? ? ? 430 ILE A O 1 -ATOM 3282 C CB . ILE A 1 430 ? 78.505 22.178 16.460 1.00 8.24 ? ? ? ? ? ? 430 ILE A CB 1 -ATOM 3283 C CG1 . ILE A 1 430 ? 78.969 20.775 16.725 1.00 10.89 ? ? ? ? ? ? 430 ILE A CG1 1 -ATOM 3284 C CG2 . ILE A 1 430 ? 77.287 22.569 17.251 1.00 10.17 ? ? ? ? ? ? 430 ILE A CG2 1 -ATOM 3285 C CD1 . ILE A 1 430 ? 80.310 20.737 17.339 1.00 12.70 ? ? ? ? ? ? 430 ILE A CD1 1 -ATOM 3286 N N . PHE A 1 431 ? 76.892 24.152 14.004 1.00 9.69 ? ? ? ? ? ? 431 PHE A N 1 -ATOM 3287 C CA . PHE A 1 431 ? 75.631 24.749 13.493 1.00 8.59 ? ? ? ? ? ? 431 PHE A CA 1 -ATOM 3288 C C . PHE A 1 431 ? 75.826 25.709 12.312 1.00 9.58 ? ? ? ? ? ? 431 PHE A C 1 -ATOM 3289 O O . PHE A 1 431 ? 76.852 26.396 12.203 1.00 7.42 ? ? ? ? ? ? 431 PHE A O 1 -ATOM 3290 C CB . PHE A 1 431 ? 74.942 25.550 14.579 1.00 4.79 ? ? ? ? ? ? 431 PHE A CB 1 -ATOM 3291 C CG . PHE A 1 431 ? 74.231 24.729 15.571 1.00 2.00 ? ? ? ? ? ? 431 PHE A CG 1 -ATOM 3292 C CD1 . PHE A 1 431 ? 73.135 23.991 15.209 1.00 3.92 ? ? ? ? ? ? 431 PHE A CD1 1 -ATOM 3293 C CD2 . PHE A 1 431 ? 74.612 24.741 16.882 1.00 2.00 ? ? ? ? ? ? 431 PHE A CD2 1 -ATOM 3294 C CE1 . PHE A 1 431 ? 72.424 23.275 16.163 1.00 4.48 ? ? ? ? ? ? 431 PHE A CE1 1 -ATOM 3295 C CE2 . PHE A 1 431 ? 73.916 24.038 17.834 1.00 2.00 ? ? ? ? ? ? 431 PHE A CE2 1 -ATOM 3296 C CZ . PHE A 1 431 ? 72.823 23.307 17.482 1.00 2.87 ? ? ? ? ? ? 431 PHE A CZ 1 -ATOM 3297 N N . MET A 1 432 ? 74.817 25.804 11.455 1.00 12.10 ? ? ? ? ? ? 432 MET A N 1 -ATOM 3298 C CA . MET A 1 432 ? 74.922 26.697 10.312 1.00 15.29 ? ? ? ? ? ? 432 MET A CA 1 -ATOM 3299 C C . MET A 1 432 ? 74.641 28.143 10.757 1.00 16.92 ? ? ? ? ? ? 432 MET A C 1 -ATOM 3300 O O . MET A 1 432 ? 73.579 28.721 10.499 1.00 18.14 ? ? ? ? ? ? 432 MET A O 1 -ATOM 3301 C CB . MET A 1 432 ? 73.987 26.254 9.196 1.00 15.74 ? ? ? ? ? ? 432 MET A CB 1 -ATOM 3302 C CG . MET A 1 432 ? 74.126 27.087 7.949 1.00 16.99 ? ? ? ? ? ? 432 MET A CG 1 -ATOM 3303 S SD . MET A 1 432 ? 75.817 27.152 7.401 1.00 20.81 ? ? ? ? ? ? 432 MET A SD 1 -ATOM 3304 C CE . MET A 1 432 ? 75.877 25.697 6.377 1.00 17.20 ? ? ? ? ? ? 432 MET A CE 1 -ATOM 3305 N N . THR A 1 433 ? 75.614 28.719 11.450 1.00 17.03 ? ? ? ? ? ? 433 THR A N 1 -ATOM 3306 C CA . THR A 1 433 ? 75.496 30.078 11.963 1.00 15.94 ? ? ? ? ? ? 433 THR A CA 1 -ATOM 3307 C C . THR A 1 433 ? 75.603 31.109 10.833 1.00 16.26 ? ? ? ? ? ? 433 THR A C 1 -ATOM 3308 O O . THR A 1 433 ? 75.862 30.763 9.672 1.00 15.76 ? ? ? ? ? ? 433 THR A O 1 -ATOM 3309 C CB . THR A 1 433 ? 76.656 30.368 12.952 1.00 14.22 ? ? ? ? ? ? 433 THR A CB 1 -ATOM 3310 O OG1 . THR A 1 433 ? 77.896 30.284 12.241 1.00 9.47 ? ? ? ? ? ? 433 THR A OG1 1 -ATOM 3311 C CG2 . THR A 1 433 ? 76.654 29.391 14.121 1.00 12.50 ? ? ? ? ? ? 433 THR A CG2 1 -ATOM 3312 N N . LYS A 1 434 ? 75.388 32.375 11.176 1.00 16.27 ? ? ? ? ? ? 434 LYS A N 1 -ATOM 3313 C CA . LYS A 1 434 ? 75.559 33.426 10.202 1.00 16.71 ? ? ? ? ? ? 434 LYS A CA 1 -ATOM 3314 C C . LYS A 1 434 ? 77.034 33.376 9.785 1.00 17.75 ? ? ? ? ? ? 434 LYS A C 1 -ATOM 3315 O O . LYS A 1 434 ? 77.353 33.589 8.607 1.00 19.51 ? ? ? ? ? ? 434 LYS A O 1 -ATOM 3316 C CB . LYS A 1 434 ? 75.290 34.794 10.809 1.00 17.54 ? ? ? ? ? ? 434 LYS A CB 1 -ATOM 3317 C CG . LYS A 1 434 ? 73.861 35.118 11.113 1.00 17.11 ? ? ? ? ? ? 434 LYS A CG 1 -ATOM 3318 C CD . LYS A 1 434 ? 73.795 36.543 11.652 1.00 16.39 ? ? ? ? ? ? 434 LYS A CD 1 -ATOM 3319 C CE . LYS A 1 434 ? 72.395 36.865 12.104 1.00 18.50 ? ? ? ? ? ? 434 LYS A CE 1 -ATOM 3320 N NZ . LYS A 1 434 ? 72.244 38.257 12.613 1.00 19.15 ? ? ? ? ? ? 434 LYS A NZ 1 -ATOM 3321 N N . THR A 1 435 ? 77.932 33.099 10.739 1.00 16.07 ? ? ? ? ? ? 435 THR A N 1 -ATOM 3322 C CA . THR A 1 435 ? 79.359 33.038 10.422 1.00 15.34 ? ? ? ? ? ? 435 THR A CA 1 -ATOM 3323 C C . THR A 1 435 ? 79.710 31.873 9.514 1.00 14.85 ? ? ? ? ? ? 435 THR A C 1 -ATOM 3324 O O . THR A 1 435 ? 80.486 32.029 8.589 1.00 13.50 ? ? ? ? ? ? 435 THR A O 1 -ATOM 3325 C CB . THR A 1 435 ? 80.223 32.923 11.676 1.00 16.92 ? ? ? ? ? ? 435 THR A CB 1 -ATOM 3326 O OG1 . THR A 1 435 ? 80.067 34.093 12.488 1.00 17.54 ? ? ? ? ? ? 435 THR A OG1 1 -ATOM 3327 C CG2 . THR A 1 435 ? 81.683 32.752 11.300 1.00 17.10 ? ? ? ? ? ? 435 THR A CG2 1 -ATOM 3328 N N . ALA A 1 436 ? 79.151 30.697 9.785 1.00 15.64 ? ? ? ? ? ? 436 ALA A N 1 -ATOM 3329 C CA . ALA A 1 436 ? 79.453 29.525 8.965 1.00 17.21 ? ? ? ? ? ? 436 ALA A CA 1 -ATOM 3330 C C . ALA A 1 436 ? 78.930 29.711 7.537 1.00 19.19 ? ? ? ? ? ? 436 ALA A C 1 -ATOM 3331 O O . ALA A 1 436 ? 79.579 29.282 6.560 1.00 21.33 ? ? ? ? ? ? 436 ALA A O 1 -ATOM 3332 C CB . ALA A 1 436 ? 78.884 28.252 9.595 1.00 14.96 ? ? ? ? ? ? 436 ALA A CB 1 -ATOM 3333 N N . SER A 1 437 ? 77.790 30.396 7.409 1.00 18.23 ? ? ? ? ? ? 437 SER A N 1 -ATOM 3334 C CA . SER A 1 437 ? 77.199 30.632 6.103 1.00 16.37 ? ? ? ? ? ? 437 SER A CA 1 -ATOM 3335 C C . SER A 1 437 ? 78.067 31.517 5.236 1.00 15.64 ? ? ? ? ? ? 437 SER A C 1 -ATOM 3336 O O . SER A 1 437 ? 78.060 31.370 4.027 1.00 17.88 ? ? ? ? ? ? 437 SER A O 1 -ATOM 3337 C CB . SER A 1 437 ? 75.819 31.226 6.242 1.00 15.56 ? ? ? ? ? ? 437 SER A CB 1 -ATOM 3338 O OG . SER A 1 437 ? 75.885 32.350 7.074 1.00 17.54 ? ? ? ? ? ? 437 SER A OG 1 -ATOM 3339 N N . ALA A 1 438 ? 78.837 32.412 5.833 1.00 13.78 ? ? ? ? ? ? 438 ALA A N 1 -ATOM 3340 C CA . ALA A 1 438 ? 79.701 33.275 5.046 1.00 12.43 ? ? ? ? ? ? 438 ALA A CA 1 -ATOM 3341 C C . ALA A 1 438 ? 81.080 32.685 4.991 1.00 13.37 ? ? ? ? ? ? 438 ALA A C 1 -ATOM 3342 O O . ALA A 1 438 ? 82.057 33.431 5.011 1.00 15.05 ? ? ? ? ? ? 438 ALA A O 1 -ATOM 3343 C CB . ALA A 1 438 ? 79.779 34.645 5.668 1.00 10.40 ? ? ? ? ? ? 438 ALA A CB 1 -ATOM 3344 N N . ALA A 1 439 ? 81.193 31.364 4.923 1.00 13.82 ? ? ? ? ? ? 439 ALA A N 1 -ATOM 3345 C CA . ALA A 1 439 ? 82.525 30.752 4.905 1.00 14.91 ? ? ? ? ? ? 439 ALA A CA 1 -ATOM 3346 C C . ALA A 1 439 ? 82.958 30.211 3.560 1.00 16.15 ? ? ? ? ? ? 439 ALA A C 1 -ATOM 3347 O O . ALA A 1 439 ? 82.136 29.942 2.687 1.00 17.00 ? ? ? ? ? ? 439 ALA A O 1 -ATOM 3348 C CB . ALA A 1 439 ? 82.622 29.649 5.953 1.00 14.03 ? ? ? ? ? ? 439 ALA A CB 1 -ATOM 3349 N N . ASP A 1 440 ? 84.267 30.100 3.378 1.00 17.35 ? ? ? ? ? ? 440 ASP A N 1 -ATOM 3350 C CA . ASP A 1 440 ? 84.805 29.546 2.144 1.00 17.43 ? ? ? ? ? ? 440 ASP A CA 1 -ATOM 3351 C C . ASP A 1 440 ? 84.772 28.033 2.267 1.00 16.71 ? ? ? ? ? ? 440 ASP A C 1 -ATOM 3352 O O . ASP A 1 440 ? 84.377 27.323 1.340 1.00 18.37 ? ? ? ? ? ? 440 ASP A O 1 -ATOM 3353 C CB . ASP A 1 440 ? 86.221 30.039 1.915 1.00 18.54 ? ? ? ? ? ? 440 ASP A CB 1 -ATOM 3354 C CG . ASP A 1 440 ? 86.256 31.492 1.591 1.00 20.06 ? ? ? ? ? ? 440 ASP A CG 1 -ATOM 3355 O OD1 . ASP A 1 440 ? 85.398 31.901 0.796 1.00 23.06 ? ? ? ? ? ? 440 ASP A OD1 1 -ATOM 3356 O OD2 . ASP A 1 440 ? 87.101 32.231 2.144 1.00 21.40 ? ? ? ? ? ? 440 ASP A OD2 1 -ATOM 3357 N N . VAL A 1 441 ? 85.174 27.537 3.420 1.00 14.12 ? ? ? ? ? ? 441 VAL A N 1 -ATOM 3358 C CA . VAL A 1 441 ? 85.135 26.112 3.645 1.00 13.29 ? ? ? ? ? ? 441 VAL A CA 1 -ATOM 3359 C C . VAL A 1 441 ? 84.651 25.811 5.077 1.00 11.38 ? ? ? ? ? ? 441 VAL A C 1 -ATOM 3360 O O . VAL A 1 441 ? 85.145 26.383 6.043 1.00 10.68 ? ? ? ? ? ? 441 VAL A O 1 -ATOM 3361 C CB . VAL A 1 441 ? 86.498 25.456 3.256 1.00 13.07 ? ? ? ? ? ? 441 VAL A CB 1 -ATOM 3362 C CG1 . VAL A 1 441 ? 87.638 26.306 3.689 1.00 13.87 ? ? ? ? ? ? 441 VAL A CG1 1 -ATOM 3363 C CG2 . VAL A 1 441 ? 86.637 24.083 3.851 1.00 15.13 ? ? ? ? ? ? 441 VAL A CG2 1 -ATOM 3364 N N . ILE A 1 442 ? 83.584 25.026 5.180 1.00 10.41 ? ? ? ? ? ? 442 ILE A N 1 -ATOM 3365 C CA . ILE A 1 442 ? 83.007 24.637 6.467 1.00 11.46 ? ? ? ? ? ? 442 ILE A CA 1 -ATOM 3366 C C . ILE A 1 442 ? 83.423 23.220 6.783 1.00 12.28 ? ? ? ? ? ? 442 ILE A C 1 -ATOM 3367 O O . ILE A 1 442 ? 83.426 22.367 5.891 1.00 13.76 ? ? ? ? ? ? 442 ILE A O 1 -ATOM 3368 C CB . ILE A 1 442 ? 81.458 24.661 6.439 1.00 11.06 ? ? ? ? ? ? 442 ILE A CB 1 -ATOM 3369 C CG1 . ILE A 1 442 ? 80.932 26.096 6.543 1.00 11.71 ? ? ? ? ? ? 442 ILE A CG1 1 -ATOM 3370 C CG2 . ILE A 1 442 ? 80.895 23.846 7.581 1.00 10.92 ? ? ? ? ? ? 442 ILE A CG2 1 -ATOM 3371 C CD1 . ILE A 1 442 ? 79.793 26.369 5.630 1.00 11.82 ? ? ? ? ? ? 442 ILE A CD1 1 -ATOM 3372 N N . LEU A 1 443 ? 83.721 22.964 8.055 1.00 11.77 ? ? ? ? ? ? 443 LEU A N 1 -ATOM 3373 C CA . LEU A 1 443 ? 84.136 21.642 8.528 1.00 10.62 ? ? ? ? ? ? 443 LEU A CA 1 -ATOM 3374 C C . LEU A 1 443 ? 83.342 21.387 9.814 1.00 11.94 ? ? ? ? ? ? 443 LEU A C 1 -ATOM 3375 O O . LEU A 1 443 ? 83.520 22.086 10.810 1.00 11.42 ? ? ? ? ? ? 443 LEU A O 1 -ATOM 3376 C CB . LEU A 1 443 ? 85.644 21.646 8.822 1.00 9.58 ? ? ? ? ? ? 443 LEU A CB 1 -ATOM 3377 C CG . LEU A 1 443 ? 86.580 22.078 7.682 1.00 8.41 ? ? ? ? ? ? 443 LEU A CG 1 -ATOM 3378 C CD1 . LEU A 1 443 ? 87.941 22.387 8.234 1.00 8.15 ? ? ? ? ? ? 443 LEU A CD1 1 -ATOM 3379 C CD2 . LEU A 1 443 ? 86.666 21.016 6.602 1.00 6.06 ? ? ? ? ? ? 443 LEU A CD2 1 -ATOM 3380 N N . PRO A 1 444 ? 82.467 20.367 9.818 1.00 13.93 ? ? ? ? ? ? 444 PRO A N 1 -ATOM 3381 C CA . PRO A 1 444 ? 81.663 20.074 11.012 1.00 14.45 ? ? ? ? ? ? 444 PRO A CA 1 -ATOM 3382 C C . PRO A 1 444 ? 82.365 19.236 12.056 1.00 14.17 ? ? ? ? ? ? 444 PRO A C 1 -ATOM 3383 O O . PRO A 1 444 ? 83.185 18.385 11.714 1.00 15.25 ? ? ? ? ? ? 444 PRO A O 1 -ATOM 3384 C CB . PRO A 1 444 ? 80.427 19.382 10.436 1.00 14.00 ? ? ? ? ? ? 444 PRO A CB 1 -ATOM 3385 C CG . PRO A 1 444 ? 80.925 18.736 9.131 1.00 16.02 ? ? ? ? ? ? 444 PRO A CG 1 -ATOM 3386 C CD . PRO A 1 444 ? 82.290 19.327 8.787 1.00 15.30 ? ? ? ? ? ? 444 PRO A CD 1 -ATOM 3387 N N . SER A 1 445 ? 82.010 19.447 13.321 1.00 12.99 ? ? ? ? ? ? 445 SER A N 1 -ATOM 3388 C CA . SER A 1 445 ? 82.629 18.720 14.426 1.00 13.17 ? ? ? ? ? ? 445 SER A CA 1 -ATOM 3389 C C . SER A 1 445 ? 81.629 18.121 15.412 1.00 13.57 ? ? ? ? ? ? 445 SER A C 1 -ATOM 3390 O O . SER A 1 445 ? 80.452 18.456 15.405 1.00 14.18 ? ? ? ? ? ? 445 SER A O 1 -ATOM 3391 C CB . SER A 1 445 ? 83.545 19.655 15.188 1.00 13.17 ? ? ? ? ? ? 445 SER A CB 1 -ATOM 3392 O OG . SER A 1 445 ? 82.775 20.568 15.957 1.00 12.89 ? ? ? ? ? ? 445 SER A OG 1 -ATOM 3393 N N . THR A 1 446 ? 82.097 17.257 16.296 1.00 14.38 ? ? ? ? ? ? 446 THR A N 1 -ATOM 3394 C CA . THR A 1 446 ? 81.187 16.659 17.255 1.00 15.32 ? ? ? ? ? ? 446 THR A CA 1 -ATOM 3395 C C . THR A 1 446 ? 80.795 17.666 18.330 1.00 16.03 ? ? ? ? ? ? 446 THR A C 1 -ATOM 3396 O O . THR A 1 446 ? 81.645 18.417 18.825 1.00 18.97 ? ? ? ? ? ? 446 THR A O 1 -ATOM 3397 C CB . THR A 1 446 ? 81.791 15.401 17.907 1.00 16.31 ? ? ? ? ? ? 446 THR A CB 1 -ATOM 3398 O OG1 . THR A 1 446 ? 82.952 15.748 18.681 1.00 14.44 ? ? ? ? ? ? 446 THR A OG1 1 -ATOM 3399 C CG2 . THR A 1 446 ? 82.163 14.369 16.836 1.00 15.43 ? ? ? ? ? ? 446 THR A CG2 1 -ATOM 3400 N N . SER A 1 447 ? 79.503 17.711 18.645 1.00 15.62 ? ? ? ? ? ? 447 SER A N 1 -ATOM 3401 C CA . SER A 1 447 ? 78.935 18.596 19.664 1.00 14.79 ? ? ? ? ? ? 447 SER A CA 1 -ATOM 3402 C C . SER A 1 447 ? 79.189 18.054 21.070 1.00 15.30 ? ? ? ? ? ? 447 SER A C 1 -ATOM 3403 O O . SER A 1 447 ? 79.645 16.909 21.244 1.00 14.34 ? ? ? ? ? ? 447 SER A O 1 -ATOM 3404 C CB . SER A 1 447 ? 77.431 18.753 19.416 1.00 15.35 ? ? ? ? ? ? 447 SER A CB 1 -ATOM 3405 O OG . SER A 1 447 ? 76.748 19.371 20.491 1.00 16.63 ? ? ? ? ? ? 447 SER A OG 1 -ATOM 3406 N N . TRP A 1 448 ? 78.832 18.859 22.064 1.00 15.06 ? ? ? ? ? ? 448 TRP A N 1 -ATOM 3407 C CA . TRP A 1 448 ? 79.024 18.524 23.471 1.00 15.70 ? ? ? ? ? ? 448 TRP A CA 1 -ATOM 3408 C C . TRP A 1 448 ? 78.665 17.120 23.929 1.00 17.98 ? ? ? ? ? ? 448 TRP A C 1 -ATOM 3409 O O . TRP A 1 448 ? 79.559 16.391 24.393 1.00 21.92 ? ? ? ? ? ? 448 TRP A O 1 -ATOM 3410 C CB . TRP A 1 448 ? 78.408 19.615 24.346 1.00 12.95 ? ? ? ? ? ? 448 TRP A CB 1 -ATOM 3411 C CG . TRP A 1 448 ? 77.988 19.295 25.754 1.00 9.27 ? ? ? ? ? ? 448 TRP A CG 1 -ATOM 3412 C CD1 . TRP A 1 448 ? 78.771 19.254 26.872 1.00 7.33 ? ? ? ? ? ? 448 TRP A CD1 1 -ATOM 3413 C CD2 . TRP A 1 448 ? 76.639 19.182 26.209 1.00 7.89 ? ? ? ? ? ? 448 TRP A CD2 1 -ATOM 3414 N NE1 . TRP A 1 448 ? 77.990 19.143 27.989 1.00 4.47 ? ? ? ? ? ? 448 TRP A NE1 1 -ATOM 3415 C CE2 . TRP A 1 448 ? 76.676 19.099 27.608 1.00 6.69 ? ? ? ? ? ? 448 TRP A CE2 1 -ATOM 3416 C CE3 . TRP A 1 448 ? 75.394 19.146 25.555 1.00 7.62 ? ? ? ? ? ? 448 TRP A CE3 1 -ATOM 3417 C CZ2 . TRP A 1 448 ? 75.511 18.991 28.377 1.00 8.90 ? ? ? ? ? ? 448 TRP A CZ2 1 -ATOM 3418 C CZ3 . TRP A 1 448 ? 74.249 19.035 26.306 1.00 7.31 ? ? ? ? ? ? 448 TRP A CZ3 1 -ATOM 3419 C CH2 . TRP A 1 448 ? 74.309 18.956 27.707 1.00 7.26 ? ? ? ? ? ? 448 TRP A CH2 1 -ATOM 3420 N N . GLY A 1 449 ? 77.418 16.689 23.771 1.00 16.72 ? ? ? ? ? ? 449 GLY A N 1 -ATOM 3421 C CA . GLY A 1 449 ? 77.094 15.332 24.212 1.00 15.00 ? ? ? ? ? ? 449 GLY A CA 1 -ATOM 3422 C C . GLY A 1 449 ? 77.686 14.192 23.367 1.00 14.29 ? ? ? ? ? ? 449 GLY A C 1 -ATOM 3423 O O . GLY A 1 449 ? 77.594 13.020 23.735 1.00 14.84 ? ? ? ? ? ? 449 GLY A O 1 -ATOM 3424 N N . GLU A 1 450 ? 78.335 14.533 22.257 1.00 12.86 ? ? ? ? ? ? 450 GLU A N 1 -ATOM 3425 C CA . GLU A 1 450 ? 78.894 13.547 21.343 1.00 10.89 ? ? ? ? ? ? 450 GLU A CA 1 -ATOM 3426 C C . GLU A 1 450 ? 80.407 13.317 21.516 1.00 9.86 ? ? ? ? ? ? 450 GLU A C 1 -ATOM 3427 O O . GLU A 1 450 ? 81.052 12.660 20.702 1.00 9.50 ? ? ? ? ? ? 450 GLU A O 1 -ATOM 3428 C CB . GLU A 1 450 ? 78.600 13.987 19.894 1.00 10.81 ? ? ? ? ? ? 450 GLU A CB 1 -ATOM 3429 C CG . GLU A 1 450 ? 77.457 14.987 19.718 1.00 8.51 ? ? ? ? ? ? 450 GLU A CG 1 -ATOM 3430 C CD . GLU A 1 450 ? 76.946 15.071 18.281 1.00 9.72 ? ? ? ? ? ? 450 GLU A CD 1 -ATOM 3431 O OE1 . GLU A 1 450 ? 76.106 14.225 17.931 1.00 13.03 ? ? ? ? ? ? 450 GLU A OE1 1 -ATOM 3432 O OE2 . GLU A 1 450 ? 77.334 15.978 17.498 1.00 7.14 ? ? ? ? ? ? 450 GLU A OE2 1 -ATOM 3433 N N . HIS A 1 451 ? 80.986 13.867 22.569 1.00 9.26 ? ? ? ? ? ? 451 HIS A N 1 -ATOM 3434 C CA . HIS A 1 451 ? 82.422 13.727 22.788 1.00 7.00 ? ? ? ? ? ? 451 HIS A CA 1 -ATOM 3435 C C . HIS A 1 451 ? 82.723 14.081 24.255 1.00 7.51 ? ? ? ? ? ? 451 HIS A C 1 -ATOM 3436 O O . HIS A 1 451 ? 81.795 14.436 24.993 1.00 8.50 ? ? ? ? ? ? 451 HIS A O 1 -ATOM 3437 C CB . HIS A 1 451 ? 83.188 14.621 21.796 1.00 5.31 ? ? ? ? ? ? 451 HIS A CB 1 -ATOM 3438 C CG . HIS A 1 451 ? 82.986 16.096 22.009 1.00 7.20 ? ? ? ? ? ? 451 HIS A CG 1 -ATOM 3439 N ND1 . HIS A 1 451 ? 82.823 16.989 20.969 1.00 4.31 ? ? ? ? ? ? 451 HIS A ND1 1 -ATOM 3440 C CD2 . HIS A 1 451 ? 82.916 16.830 23.149 1.00 7.05 ? ? ? ? ? ? 451 HIS A CD2 1 -ATOM 3441 C CE1 . HIS A 1 451 ? 82.654 18.201 21.461 1.00 5.94 ? ? ? ? ? ? 451 HIS A CE1 1 -ATOM 3442 N NE2 . HIS A 1 451 ? 82.708 18.134 22.780 1.00 6.00 ? ? ? ? ? ? 451 HIS A NE2 1 -ATOM 3443 N N . GLU A 1 452 ? 83.998 14.051 24.656 1.00 6.90 ? ? ? ? ? ? 452 GLU A N 1 -ATOM 3444 C CA . GLU A 1 452 ? 84.406 14.317 26.040 1.00 6.91 ? ? ? ? ? ? 452 GLU A CA 1 -ATOM 3445 C C . GLU A 1 452 ? 85.681 15.173 26.191 1.00 9.33 ? ? ? ? ? ? 452 GLU A C 1 -ATOM 3446 O O . GLU A 1 452 ? 86.335 15.576 25.197 1.00 8.75 ? ? ? ? ? ? 452 GLU A O 1 -ATOM 3447 C CB . GLU A 1 452 ? 84.691 13.002 26.746 1.00 4.68 ? ? ? ? ? ? 452 GLU A CB 1 -ATOM 3448 C CG . GLU A 1 452 ? 85.924 12.365 26.144 1.00 8.54 ? ? ? ? ? ? 452 GLU A CG 1 -ATOM 3449 C CD . GLU A 1 452 ? 86.515 11.219 26.936 1.00 10.75 ? ? ? ? ? ? 452 GLU A CD 1 -ATOM 3450 O OE1 . GLU A 1 452 ? 86.123 10.998 28.115 1.00 13.78 ? ? ? ? ? ? 452 GLU A OE1 1 -ATOM 3451 O OE2 . GLU A 1 452 ? 87.388 10.535 26.351 1.00 7.93 ? ? ? ? ? ? 452 GLU A OE2 1 -ATOM 3452 N N . GLY A 1 453 ? 86.075 15.347 27.455 1.00 9.29 ? ? ? ? ? ? 453 GLY A N 1 -ATOM 3453 C CA . GLY A 1 453 ? 87.250 16.111 27.781 1.00 8.79 ? ? ? ? ? ? 453 GLY A CA 1 -ATOM 3454 C C . GLY A 1 453 ? 87.101 16.769 29.140 1.00 10.60 ? ? ? ? ? ? 453 GLY A C 1 -ATOM 3455 O O . GLY A 1 453 ? 86.368 16.260 30.003 1.00 9.32 ? ? ? ? ? ? 453 GLY A O 1 -ATOM 3456 N N . VAL A 1 454 ? 87.769 17.920 29.304 1.00 10.68 ? ? ? ? ? ? 454 VAL A N 1 -ATOM 3457 C CA . VAL A 1 454 ? 87.778 18.704 30.546 1.00 10.54 ? ? ? ? ? ? 454 VAL A CA 1 -ATOM 3458 C C . VAL A 1 454 ? 87.360 20.158 30.222 1.00 11.26 ? ? ? ? ? ? 454 VAL A C 1 -ATOM 3459 O O . VAL A 1 454 ? 87.567 20.629 29.083 1.00 11.36 ? ? ? ? ? ? 454 VAL A O 1 -ATOM 3460 C CB . VAL A 1 454 ? 89.234 18.728 31.118 1.00 10.26 ? ? ? ? ? ? 454 VAL A CB 1 -ATOM 3461 C CG1 . VAL A 1 454 ? 89.312 19.415 32.472 1.00 9.74 ? ? ? ? ? ? 454 VAL A CG1 1 -ATOM 3462 C CG2 . VAL A 1 454 ? 89.771 17.327 31.220 1.00 10.22 ? ? ? ? ? ? 454 VAL A CG2 1 -ATOM 3463 N N . PHE A 1 455 ? 86.747 20.843 31.195 1.00 9.37 ? ? ? ? ? ? 455 PHE A N 1 -ATOM 3464 C CA . PHE A 1 455 ? 86.336 22.253 31.074 1.00 7.55 ? ? ? ? ? ? 455 PHE A CA 1 -ATOM 3465 C C . PHE A 1 455 ? 86.834 22.912 32.341 1.00 8.37 ? ? ? ? ? ? 455 PHE A C 1 -ATOM 3466 O O . PHE A 1 455 ? 86.954 22.233 33.367 1.00 9.92 ? ? ? ? ? ? 455 PHE A O 1 -ATOM 3467 C CB . PHE A 1 455 ? 84.826 22.389 31.121 1.00 7.34 ? ? ? ? ? ? 455 PHE A CB 1 -ATOM 3468 C CG . PHE A 1 455 ? 84.144 22.200 29.802 1.00 7.46 ? ? ? ? ? ? 455 PHE A CG 1 -ATOM 3469 C CD1 . PHE A 1 455 ? 84.873 22.144 28.621 1.00 7.10 ? ? ? ? ? ? 455 PHE A CD1 1 -ATOM 3470 C CD2 . PHE A 1 455 ? 82.759 22.087 29.749 1.00 5.30 ? ? ? ? ? ? 455 PHE A CD2 1 -ATOM 3471 C CE1 . PHE A 1 455 ? 84.234 21.977 27.416 1.00 5.55 ? ? ? ? ? ? 455 PHE A CE1 1 -ATOM 3472 C CE2 . PHE A 1 455 ? 82.126 21.924 28.563 1.00 4.77 ? ? ? ? ? ? 455 PHE A CE2 1 -ATOM 3473 C CZ . PHE A 1 455 ? 82.867 21.868 27.385 1.00 7.04 ? ? ? ? ? ? 455 PHE A CZ 1 -ATOM 3474 N N . THR A 1 456 ? 87.085 24.218 32.316 1.00 7.73 ? ? ? ? ? ? 456 THR A N 1 -ATOM 3475 C CA . THR A 1 456 ? 87.517 24.903 33.543 1.00 7.20 ? ? ? ? ? ? 456 THR A CA 1 -ATOM 3476 C C . THR A 1 456 ? 86.423 25.870 34.019 1.00 7.14 ? ? ? ? ? ? 456 THR A C 1 -ATOM 3477 O O . THR A 1 456 ? 86.033 26.765 33.278 1.00 6.89 ? ? ? ? ? ? 456 THR A O 1 -ATOM 3478 C CB . THR A 1 456 ? 88.862 25.641 33.338 1.00 5.60 ? ? ? ? ? ? 456 THR A CB 1 -ATOM 3479 O OG1 . THR A 1 456 ? 89.831 24.708 32.856 1.00 7.38 ? ? ? ? ? ? 456 THR A OG1 1 -ATOM 3480 C CG2 . THR A 1 456 ? 89.382 26.175 34.631 1.00 3.96 ? ? ? ? ? ? 456 THR A CG2 1 -ATOM 3481 N N . ALA A 1 457 ? 85.891 25.652 35.226 1.00 6.80 ? ? ? ? ? ? 457 ALA A N 1 -ATOM 3482 C CA . ALA A 1 457 ? 84.841 26.522 35.778 1.00 6.66 ? ? ? ? ? ? 457 ALA A CA 1 -ATOM 3483 C C . ALA A 1 457 ? 85.395 27.938 35.993 1.00 8.33 ? ? ? ? ? ? 457 ALA A C 1 -ATOM 3484 O O . ALA A 1 457 ? 86.622 28.140 36.001 1.00 7.53 ? ? ? ? ? ? 457 ALA A O 1 -ATOM 3485 C CB . ALA A 1 457 ? 84.302 25.953 37.097 1.00 3.37 ? ? ? ? ? ? 457 ALA A CB 1 -ATOM 3486 N N . ALA A 1 458 ? 84.497 28.898 36.227 1.00 9.23 ? ? ? ? ? ? 458 ALA A N 1 -ATOM 3487 C CA . ALA A 1 458 ? 84.873 30.303 36.414 1.00 10.43 ? ? ? ? ? ? 458 ALA A CA 1 -ATOM 3488 C C . ALA A 1 458 ? 86.090 30.536 37.296 1.00 12.10 ? ? ? ? ? ? 458 ALA A C 1 -ATOM 3489 O O . ALA A 1 458 ? 86.967 31.328 36.940 1.00 13.78 ? ? ? ? ? ? 458 ALA A O 1 -ATOM 3490 C CB . ALA A 1 458 ? 83.681 31.125 36.926 1.00 9.83 ? ? ? ? ? ? 458 ALA A CB 1 -ATOM 3491 N N . ASP A 1 459 ? 86.158 29.806 38.410 1.00 13.96 ? ? ? ? ? ? 459 ASP A N 1 -ATOM 3492 C CA . ASP A 1 459 ? 87.232 29.896 39.417 1.00 12.53 ? ? ? ? ? ? 459 ASP A CA 1 -ATOM 3493 C C . ASP A 1 459 ? 88.346 28.915 39.185 1.00 11.87 ? ? ? ? ? ? 459 ASP A C 1 -ATOM 3494 O O . ASP A 1 459 ? 88.748 28.242 40.111 1.00 13.69 ? ? ? ? ? ? 459 ASP A O 1 -ATOM 3495 C CB . ASP A 1 459 ? 86.653 29.571 40.794 1.00 14.26 ? ? ? ? ? ? 459 ASP A CB 1 -ATOM 3496 C CG . ASP A 1 459 ? 85.971 28.173 40.839 1.00 16.30 ? ? ? ? ? ? 459 ASP A CG 1 -ATOM 3497 O OD1 . ASP A 1 459 ? 85.861 27.497 39.794 1.00 15.84 ? ? ? ? ? ? 459 ASP A OD1 1 -ATOM 3498 O OD2 . ASP A 1 459 ? 85.527 27.744 41.924 1.00 17.93 ? ? ? ? ? ? 459 ASP A OD2 1 -ATOM 3499 N N . ARG A 1 460 ? 88.823 28.785 37.960 1.00 12.46 ? ? ? ? ? ? 460 ARG A N 1 -ATOM 3500 C CA . ARG A 1 460 ? 89.911 27.840 37.627 1.00 12.27 ? ? ? ? ? ? 460 ARG A CA 1 -ATOM 3501 C C . ARG A 1 460 ? 89.769 26.369 38.078 1.00 11.96 ? ? ? ? ? ? 460 ARG A C 1 -ATOM 3502 O O . ARG A 1 460 ? 90.761 25.630 38.153 1.00 11.53 ? ? ? ? ? ? 460 ARG A O 1 -ATOM 3503 C CB . ARG A 1 460 ? 91.289 28.422 38.007 1.00 11.67 ? ? ? ? ? ? 460 ARG A CB 1 -ATOM 3504 C CG . ARG A 1 460 ? 91.291 29.177 39.286 1.00 9.49 ? ? ? ? ? ? 460 ARG A CG 1 -ATOM 3505 C CD . ARG A 1 460 ? 92.575 29.861 39.646 1.00 9.72 ? ? ? ? ? ? 460 ARG A CD 1 -ATOM 3506 N NE . ARG A 1 460 ? 92.338 30.453 40.953 1.00 9.79 ? ? ? ? ? ? 460 ARG A NE 1 -ATOM 3507 C CZ . ARG A 1 460 ? 92.198 29.743 42.065 1.00 11.06 ? ? ? ? ? ? 460 ARG A CZ 1 -ATOM 3508 N NH1 . ARG A 1 460 ? 92.318 28.426 42.031 1.00 12.10 ? ? ? ? ? ? 460 ARG A NH1 1 -ATOM 3509 N NH2 . ARG A 1 460 ? 91.755 30.320 43.170 1.00 12.85 ? ? ? ? ? ? 460 ARG A NH2 1 -ATOM 3510 N N . GLY A 1 461 ? 88.525 25.924 38.279 1.00 11.58 ? ? ? ? ? ? 461 GLY A N 1 -ATOM 3511 C CA . GLY A 1 461 ? 88.272 24.553 38.702 1.00 10.23 ? ? ? ? ? ? 461 GLY A CA 1 -ATOM 3512 C C . GLY A 1 461 ? 88.080 23.524 37.592 1.00 9.24 ? ? ? ? ? ? 461 GLY A C 1 -ATOM 3513 O O . GLY A 1 461 ? 87.038 23.510 36.933 1.00 8.42 ? ? ? ? ? ? 461 GLY A O 1 -ATOM 3514 N N . PHE A 1 462 ? 89.086 22.673 37.376 1.00 8.47 ? ? ? ? ? ? 462 PHE A N 1 -ATOM 3515 C CA . PHE A 1 462 ? 89.029 21.622 36.359 1.00 8.14 ? ? ? ? ? ? 462 PHE A CA 1 -ATOM 3516 C C . PHE A 1 462 ? 87.912 20.618 36.639 1.00 9.04 ? ? ? ? ? ? 462 PHE A C 1 -ATOM 3517 O O . PHE A 1 462 ? 87.730 20.173 37.779 1.00 10.20 ? ? ? ? ? ? 462 PHE A O 1 -ATOM 3518 C CB . PHE A 1 462 ? 90.314 20.822 36.338 1.00 8.11 ? ? ? ? ? ? 462 PHE A CB 1 -ATOM 3519 C CG . PHE A 1 462 ? 91.461 21.528 35.750 1.00 10.18 ? ? ? ? ? ? 462 PHE A CG 1 -ATOM 3520 C CD1 . PHE A 1 462 ? 91.330 22.212 34.547 1.00 11.96 ? ? ? ? ? ? 462 PHE A CD1 1 -ATOM 3521 C CD2 . PHE A 1 462 ? 92.712 21.476 36.381 1.00 10.34 ? ? ? ? ? ? 462 PHE A CD2 1 -ATOM 3522 C CE1 . PHE A 1 462 ? 92.437 22.836 33.964 1.00 12.80 ? ? ? ? ? ? 462 PHE A CE1 1 -ATOM 3523 C CE2 . PHE A 1 462 ? 93.811 22.084 35.820 1.00 10.27 ? ? ? ? ? ? 462 PHE A CE2 1 -ATOM 3524 C CZ . PHE A 1 462 ? 93.680 22.770 34.606 1.00 12.84 ? ? ? ? ? ? 462 PHE A CZ 1 -ATOM 3525 N N . GLN A 1 463 ? 87.218 20.197 35.594 1.00 7.48 ? ? ? ? ? ? 463 GLN A N 1 -ATOM 3526 C CA . GLN A 1 463 ? 86.161 19.233 35.758 1.00 8.88 ? ? ? ? ? ? 463 GLN A CA 1 -ATOM 3527 C C . GLN A 1 463 ? 86.074 18.454 34.462 1.00 11.12 ? ? ? ? ? ? 463 GLN A C 1 -ATOM 3528 O O . GLN A 1 463 ? 86.277 19.019 33.368 1.00 11.95 ? ? ? ? ? ? 463 GLN A O 1 -ATOM 3529 C CB . GLN A 1 463 ? 84.819 19.912 36.050 1.00 8.94 ? ? ? ? ? ? 463 GLN A CB 1 -ATOM 3530 C CG . GLN A 1 463 ? 84.662 20.481 37.430 1.00 8.23 ? ? ? ? ? ? 463 GLN A CG 1 -ATOM 3531 C CD . GLN A 1 463 ? 83.219 20.822 37.713 1.00 11.11 ? ? ? ? ? ? 463 GLN A CD 1 -ATOM 3532 O OE1 . GLN A 1 463 ? 82.711 21.862 37.276 1.00 11.56 ? ? ? ? ? ? 463 GLN A OE1 1 -ATOM 3533 N NE2 . GLN A 1 463 ? 82.535 19.943 38.444 1.00 10.35 ? ? ? ? ? ? 463 GLN A NE2 1 -ATOM 3534 N N . ARG A 1 464 ? 85.730 17.172 34.598 1.00 10.65 ? ? ? ? ? ? 464 ARG A N 1 -ATOM 3535 C CA . ARG A 1 464 ? 85.616 16.252 33.488 1.00 9.61 ? ? ? ? ? ? 464 ARG A CA 1 -ATOM 3536 C C . ARG A 1 464 ? 84.190 16.169 32.960 1.00 10.39 ? ? ? ? ? ? 464 ARG A C 1 -ATOM 3537 O O . ARG A 1 464 ? 83.226 16.294 33.714 1.00 10.76 ? ? ? ? ? ? 464 ARG A O 1 -ATOM 3538 C CB . ARG A 1 464 ? 86.052 14.853 33.946 1.00 10.48 ? ? ? ? ? ? 464 ARG A CB 1 -ATOM 3539 C CG . ARG A 1 464 ? 87.561 14.591 33.995 1.00 9.52 ? ? ? ? ? ? 464 ARG A CG 1 -ATOM 3540 C CD . ARG A 1 464 ? 87.929 13.410 33.128 1.00 9.12 ? ? ? ? ? ? 464 ARG A CD 1 -ATOM 3541 N NE . ARG A 1 464 ? 87.600 13.667 31.728 1.00 11.36 ? ? ? ? ? ? 464 ARG A NE 1 -ATOM 3542 C CZ . ARG A 1 464 ? 87.240 12.740 30.833 1.00 12.88 ? ? ? ? ? ? 464 ARG A CZ 1 -ATOM 3543 N NH1 . ARG A 1 464 ? 87.162 11.454 31.164 1.00 12.27 ? ? ? ? ? ? 464 ARG A NH1 1 -ATOM 3544 N NH2 . ARG A 1 464 ? 86.906 13.120 29.605 1.00 13.39 ? ? ? ? ? ? 464 ARG A NH2 1 -ATOM 3545 N N . PHE A 1 465 ? 84.071 15.948 31.654 1.00 10.68 ? ? ? ? ? ? 465 PHE A N 1 -ATOM 3546 C CA . PHE A 1 465 ? 82.785 15.792 30.995 1.00 10.77 ? ? ? ? ? ? 465 PHE A CA 1 -ATOM 3547 C C . PHE A 1 465 ? 82.870 14.543 30.080 1.00 10.51 ? ? ? ? ? ? 465 PHE A C 1 -ATOM 3548 O O . PHE A 1 465 ? 83.885 14.311 29.427 1.00 11.40 ? ? ? ? ? ? 465 PHE A O 1 -ATOM 3549 C CB . PHE A 1 465 ? 82.308 17.118 30.333 1.00 9.62 ? ? ? ? ? ? 465 PHE A CB 1 -ATOM 3550 C CG . PHE A 1 465 ? 82.880 17.420 28.955 1.00 10.38 ? ? ? ? ? ? 465 PHE A CG 1 -ATOM 3551 C CD1 . PHE A 1 465 ? 82.185 17.043 27.800 1.00 11.79 ? ? ? ? ? ? 465 PHE A CD1 1 -ATOM 3552 C CD2 . PHE A 1 465 ? 84.006 18.213 28.805 1.00 9.73 ? ? ? ? ? ? 465 PHE A CD2 1 -ATOM 3553 C CE1 . PHE A 1 465 ? 82.589 17.458 26.522 1.00 10.73 ? ? ? ? ? ? 465 PHE A CE1 1 -ATOM 3554 C CE2 . PHE A 1 465 ? 84.419 18.631 27.534 1.00 10.49 ? ? ? ? ? ? 465 PHE A CE2 1 -ATOM 3555 C CZ . PHE A 1 465 ? 83.698 18.252 26.390 1.00 11.01 ? ? ? ? ? ? 465 PHE A CZ 1 -ATOM 3556 N N . PHE A 1 466 ? 81.823 13.725 30.088 1.00 10.26 ? ? ? ? ? ? 466 PHE A N 1 -ATOM 3557 C CA . PHE A 1 466 ? 81.807 12.459 29.365 1.00 10.90 ? ? ? ? ? ? 466 PHE A CA 1 -ATOM 3558 C C . PHE A 1 466 ? 80.937 12.330 28.117 1.00 12.38 ? ? ? ? ? ? 466 PHE A C 1 -ATOM 3559 O O . PHE A 1 466 ? 79.908 12.994 27.993 1.00 15.31 ? ? ? ? ? ? 466 PHE A O 1 -ATOM 3560 C CB . PHE A 1 466 ? 81.452 11.346 30.365 1.00 9.21 ? ? ? ? ? ? 466 PHE A CB 1 -ATOM 3561 C CG . PHE A 1 466 ? 82.390 11.278 31.564 1.00 8.55 ? ? ? ? ? ? 466 PHE A CG 1 -ATOM 3562 C CD1 . PHE A 1 466 ? 82.145 12.034 32.701 1.00 6.22 ? ? ? ? ? ? 466 PHE A CD1 1 -ATOM 3563 C CD2 . PHE A 1 466 ? 83.549 10.492 31.522 1.00 7.86 ? ? ? ? ? ? 466 PHE A CD2 1 -ATOM 3564 C CE1 . PHE A 1 466 ? 83.031 12.020 33.778 1.00 9.18 ? ? ? ? ? ? 466 PHE A CE1 1 -ATOM 3565 C CE2 . PHE A 1 466 ? 84.447 10.471 32.598 1.00 8.02 ? ? ? ? ? ? 466 PHE A CE2 1 -ATOM 3566 C CZ . PHE A 1 466 ? 84.188 11.239 33.727 1.00 7.50 ? ? ? ? ? ? 466 PHE A CZ 1 -ATOM 3567 N N . LYS A 1 467 ? 81.347 11.466 27.190 1.00 11.98 ? ? ? ? ? ? 467 LYS A N 1 -ATOM 3568 C CA . LYS A 1 467 ? 80.569 11.242 25.969 1.00 13.90 ? ? ? ? ? ? 467 LYS A CA 1 -ATOM 3569 C C . LYS A 1 467 ? 79.270 10.470 26.281 1.00 14.74 ? ? ? ? ? ? 467 LYS A C 1 -ATOM 3570 O O . LYS A 1 467 ? 79.322 9.384 26.873 1.00 16.04 ? ? ? ? ? ? 467 LYS A O 1 -ATOM 3571 C CB . LYS A 1 467 ? 81.375 10.430 24.943 1.00 13.58 ? ? ? ? ? ? 467 LYS A CB 1 -ATOM 3572 C CG . LYS A 1 467 ? 80.646 10.270 23.599 1.00 12.84 ? ? ? ? ? ? 467 LYS A CG 1 -ATOM 3573 C CD . LYS A 1 467 ? 81.187 9.141 22.734 1.00 11.41 ? ? ? ? ? ? 467 LYS A CD 1 -ATOM 3574 C CE . LYS A 1 467 ? 81.252 9.585 21.288 1.00 10.73 ? ? ? ? ? ? 467 LYS A CE 1 -ATOM 3575 N NZ . LYS A 1 467 ? 81.310 8.479 20.321 1.00 11.12 ? ? ? ? ? ? 467 LYS A NZ 1 -ATOM 3576 N N . ALA A 1 468 ? 78.122 10.998 25.856 1.00 13.83 ? ? ? ? ? ? 468 ALA A N 1 -ATOM 3577 C CA . ALA A 1 468 ? 76.856 10.323 26.115 1.00 13.30 ? ? ? ? ? ? 468 ALA A CA 1 -ATOM 3578 C C . ALA A 1 468 ? 76.299 9.605 24.912 1.00 14.73 ? ? ? ? ? ? 468 ALA A C 1 -ATOM 3579 O O . ALA A 1 468 ? 75.657 8.554 25.027 1.00 15.83 ? ? ? ? ? ? 468 ALA A O 1 -ATOM 3580 C CB . ALA A 1 468 ? 75.833 11.315 26.590 1.00 12.21 ? ? ? ? ? ? 468 ALA A CB 1 -ATOM 3581 N N . VAL A 1 469 ? 76.614 10.116 23.736 1.00 16.27 ? ? ? ? ? ? 469 VAL A N 1 -ATOM 3582 C CA . VAL A 1 469 ? 76.017 9.560 22.551 1.00 17.03 ? ? ? ? ? ? 469 VAL A CA 1 -ATOM 3583 C C . VAL A 1 469 ? 76.962 9.533 21.348 1.00 17.17 ? ? ? ? ? ? 469 VAL A C 1 -ATOM 3584 O O . VAL A 1 469 ? 78.118 9.879 21.476 1.00 19.32 ? ? ? ? ? ? 469 VAL A O 1 -ATOM 3585 C CB . VAL A 1 469 ? 74.719 10.371 22.307 1.00 17.13 ? ? ? ? ? ? 469 VAL A CB 1 -ATOM 3586 C CG1 . VAL A 1 469 ? 74.961 11.558 21.388 1.00 17.60 ? ? ? ? ? ? 469 VAL A CG1 1 -ATOM 3587 C CG2 . VAL A 1 469 ? 73.600 9.475 21.892 1.00 18.83 ? ? ? ? ? ? 469 VAL A CG2 1 -ATOM 3588 N N . GLU A 1 470 ? 76.489 9.069 20.198 1.00 18.07 ? ? ? ? ? ? 470 GLU A N 1 -ATOM 3589 C CA . GLU A 1 470 ? 77.314 9.000 19.000 1.00 18.26 ? ? ? ? ? ? 470 GLU A CA 1 -ATOM 3590 C C . GLU A 1 470 ? 76.755 9.985 18.016 1.00 18.37 ? ? ? ? ? ? 470 GLU A C 1 -ATOM 3591 O O . GLU A 1 470 ? 75.557 10.241 18.017 1.00 19.88 ? ? ? ? ? ? 470 GLU A O 1 -ATOM 3592 C CB . GLU A 1 470 ? 77.224 7.615 18.371 1.00 19.74 ? ? ? ? ? ? 470 GLU A CB 1 -ATOM 3593 C CG . GLU A 1 470 ? 77.680 6.481 19.265 1.00 23.78 ? ? ? ? ? ? 470 GLU A CG 1 -ATOM 3594 C CD . GLU A 1 470 ? 79.165 6.171 19.152 1.00 25.75 ? ? ? ? ? ? 470 GLU A CD 1 -ATOM 3595 O OE1 . GLU A 1 470 ? 79.842 6.692 18.228 1.00 26.27 ? ? ? ? ? ? 470 GLU A OE1 1 -ATOM 3596 O OE2 . GLU A 1 470 ? 79.650 5.378 19.992 1.00 27.84 ? ? ? ? ? ? 470 GLU A OE2 1 -ATOM 3597 N N . PRO A 1 471 ? 77.614 10.622 17.221 1.00 18.96 ? ? ? ? ? ? 471 PRO A N 1 -ATOM 3598 C CA . PRO A 1 471 ? 77.079 11.579 16.251 1.00 20.15 ? ? ? ? ? ? 471 PRO A CA 1 -ATOM 3599 C C . PRO A 1 471 ? 76.318 10.816 15.166 1.00 22.37 ? ? ? ? ? ? 471 PRO A C 1 -ATOM 3600 O O . PRO A 1 471 ? 76.693 9.699 14.831 1.00 23.30 ? ? ? ? ? ? 471 PRO A O 1 -ATOM 3601 C CB . PRO A 1 471 ? 78.338 12.271 15.722 1.00 18.72 ? ? ? ? ? ? 471 PRO A CB 1 -ATOM 3602 C CG . PRO A 1 471 ? 79.426 11.298 15.978 1.00 17.98 ? ? ? ? ? ? 471 PRO A CG 1 -ATOM 3603 C CD . PRO A 1 471 ? 79.081 10.690 17.290 1.00 18.28 ? ? ? ? ? ? 471 PRO A CD 1 -ATOM 3604 N N . LYS A 1 472 ? 75.202 11.358 14.684 1.00 23.36 ? ? ? ? ? ? 472 LYS A N 1 -ATOM 3605 C CA . LYS A 1 472 ? 74.450 10.657 13.650 1.00 24.59 ? ? ? ? ? ? 472 LYS A CA 1 -ATOM 3606 C C . LYS A 1 472 ? 75.083 10.852 12.284 1.00 24.79 ? ? ? ? ? ? 472 LYS A C 1 -ATOM 3607 O O . LYS A 1 472 ? 74.645 10.255 11.296 1.00 26.53 ? ? ? ? ? ? 472 LYS A O 1 -ATOM 3608 C CB . LYS A 1 472 ? 72.972 11.089 13.614 1.00 26.23 ? ? ? ? ? ? 472 LYS A CB 1 -ATOM 3609 C CG . LYS A 1 472 ? 72.194 10.733 14.882 1.00 30.60 ? ? ? ? ? ? 472 LYS A CG 1 -ATOM 3610 C CD . LYS A 1 472 ? 72.437 9.259 15.306 1.00 34.23 ? ? ? ? ? ? 472 LYS A CD 1 -ATOM 3611 C CE . LYS A 1 472 ? 72.161 8.995 16.810 1.00 33.67 ? ? ? ? ? ? 472 LYS A CE 1 -ATOM 3612 N NZ . LYS A 1 472 ? 73.377 8.493 17.532 1.00 30.46 ? ? ? ? ? ? 472 LYS A NZ 1 -ATOM 3613 N N . TRP A 1 473 ? 76.132 11.659 12.224 1.00 23.13 ? ? ? ? ? ? 473 TRP A N 1 -ATOM 3614 C CA . TRP A 1 473 ? 76.782 11.912 10.951 1.00 21.94 ? ? ? ? ? ? 473 TRP A CA 1 -ATOM 3615 C C . TRP A 1 473 ? 78.268 11.688 11.055 1.00 19.16 ? ? ? ? ? ? 473 TRP A C 1 -ATOM 3616 O O . TRP A 1 473 ? 78.800 11.509 12.137 1.00 17.33 ? ? ? ? ? ? 473 TRP A O 1 -ATOM 3617 C CB . TRP A 1 473 ? 76.516 13.341 10.487 1.00 24.16 ? ? ? ? ? ? 473 TRP A CB 1 -ATOM 3618 C CG . TRP A 1 473 ? 75.069 13.732 10.499 1.00 28.47 ? ? ? ? ? ? 473 TRP A CG 1 -ATOM 3619 C CD1 . TRP A 1 473 ? 74.131 13.423 9.561 1.00 29.83 ? ? ? ? ? ? 473 TRP A CD1 1 -ATOM 3620 C CD2 . TRP A 1 473 ? 74.410 14.555 11.468 1.00 30.12 ? ? ? ? ? ? 473 TRP A CD2 1 -ATOM 3621 N NE1 . TRP A 1 473 ? 72.933 14.012 9.879 1.00 30.94 ? ? ? ? ? ? 473 TRP A NE1 1 -ATOM 3622 C CE2 . TRP A 1 473 ? 73.078 14.713 11.045 1.00 31.04 ? ? ? ? ? ? 473 TRP A CE2 1 -ATOM 3623 C CE3 . TRP A 1 473 ? 74.819 15.170 12.658 1.00 31.73 ? ? ? ? ? ? 473 TRP A CE3 1 -ATOM 3624 C CZ2 . TRP A 1 473 ? 72.148 15.463 11.765 1.00 32.96 ? ? ? ? ? ? 473 TRP A CZ2 1 -ATOM 3625 C CZ3 . TRP A 1 473 ? 73.897 15.910 13.377 1.00 33.09 ? ? ? ? ? ? 473 TRP A CZ3 1 -ATOM 3626 C CH2 . TRP A 1 473 ? 72.575 16.051 12.929 1.00 34.11 ? ? ? ? ? ? 473 TRP A CH2 1 -ATOM 3627 N N . ASP A 1 474 ? 78.927 11.668 9.908 1.00 17.86 ? ? ? ? ? ? 474 ASP A N 1 -ATOM 3628 C CA . ASP A 1 474 ? 80.368 11.482 9.858 1.00 17.09 ? ? ? ? ? ? 474 ASP A CA 1 -ATOM 3629 C C . ASP A 1 474 ? 81.052 12.788 10.279 1.00 16.36 ? ? ? ? ? ? 474 ASP A C 1 -ATOM 3630 O O . ASP A 1 474 ? 81.430 13.618 9.450 1.00 16.74 ? ? ? ? ? ? 474 ASP A O 1 -ATOM 3631 C CB . ASP A 1 474 ? 80.805 11.035 8.457 1.00 16.05 ? ? ? ? ? ? 474 ASP A CB 1 -ATOM 3632 C CG . ASP A 1 474 ? 82.303 10.921 8.323 1.00 17.61 ? ? ? ? ? ? 474 ASP A CG 1 -ATOM 3633 O OD1 . ASP A 1 474 ? 83.002 10.922 9.371 1.00 18.99 ? ? ? ? ? ? 474 ASP A OD1 1 -ATOM 3634 O OD2 . ASP A 1 474 ? 82.786 10.836 7.169 1.00 16.99 ? ? ? ? ? ? 474 ASP A OD2 1 -ATOM 3635 N N . LEU A 1 475 ? 81.193 12.966 11.581 1.00 14.54 ? ? ? ? ? ? 475 LEU A N 1 -ATOM 3636 C CA . LEU A 1 475 ? 81.805 14.161 12.106 1.00 13.57 ? ? ? ? ? ? 475 LEU A CA 1 -ATOM 3637 C C . LEU A 1 475 ? 83.090 13.792 12.831 1.00 12.54 ? ? ? ? ? ? 475 LEU A C 1 -ATOM 3638 O O . LEU A 1 475 ? 83.276 12.642 13.220 1.00 12.85 ? ? ? ? ? ? 475 LEU A O 1 -ATOM 3639 C CB . LEU A 1 475 ? 80.842 14.821 13.095 1.00 15.35 ? ? ? ? ? ? 475 LEU A CB 1 -ATOM 3640 C CG . LEU A 1 475 ? 79.399 15.035 12.630 1.00 17.15 ? ? ? ? ? ? 475 LEU A CG 1 -ATOM 3641 C CD1 . LEU A 1 475 ? 78.565 15.617 13.759 1.00 14.87 ? ? ? ? ? ? 475 LEU A CD1 1 -ATOM 3642 C CD2 . LEU A 1 475 ? 79.354 15.912 11.370 1.00 16.84 ? ? ? ? ? ? 475 LEU A CD2 1 -ATOM 3643 N N . LYS A 1 476 ? 83.987 14.760 12.977 1.00 10.91 ? ? ? ? ? ? 476 LYS A N 1 -ATOM 3644 C CA . LYS A 1 476 ? 85.232 14.547 13.713 1.00 10.07 ? ? ? ? ? ? 476 LYS A CA 1 -ATOM 3645 C C . LYS A 1 476 ? 85.241 15.416 14.987 1.00 10.62 ? ? ? ? ? ? 476 LYS A C 1 -ATOM 3646 O O . LYS A 1 476 ? 84.440 16.359 15.134 1.00 10.96 ? ? ? ? ? ? 476 LYS A O 1 -ATOM 3647 C CB . LYS A 1 476 ? 86.429 14.874 12.835 1.00 6.15 ? ? ? ? ? ? 476 LYS A CB 1 -ATOM 3648 C CG . LYS A 1 476 ? 86.674 13.833 11.775 1.00 4.07 ? ? ? ? ? ? 476 LYS A CG 1 -ATOM 3649 C CD . LYS A 1 476 ? 86.958 14.448 10.428 1.00 2.00 ? ? ? ? ? ? 476 LYS A CD 1 -ATOM 3650 C CE . LYS A 1 476 ? 87.701 13.487 9.525 1.00 2.00 ? ? ? ? ? ? 476 LYS A CE 1 -ATOM 3651 N NZ . LYS A 1 476 ? 87.141 12.093 9.558 1.00 5.55 ? ? ? ? ? ? 476 LYS A NZ 1 -ATOM 3652 N N . THR A 1 477 ? 86.046 15.051 15.969 1.00 9.51 ? ? ? ? ? ? 477 THR A N 1 -ATOM 3653 C CA . THR A 1 477 ? 86.081 15.895 17.146 1.00 9.85 ? ? ? ? ? ? 477 THR A CA 1 -ATOM 3654 C C . THR A 1 477 ? 86.950 17.016 16.636 1.00 12.44 ? ? ? ? ? ? 477 THR A C 1 -ATOM 3655 O O . THR A 1 477 ? 87.729 16.790 15.698 1.00 15.20 ? ? ? ? ? ? 477 THR A O 1 -ATOM 3656 C CB . THR A 1 477 ? 86.744 15.210 18.309 1.00 6.79 ? ? ? ? ? ? 477 THR A CB 1 -ATOM 3657 O OG1 . THR A 1 477 ? 87.938 14.582 17.851 1.00 8.31 ? ? ? ? ? ? 477 THR A OG1 1 -ATOM 3658 C CG2 . THR A 1 477 ? 85.835 14.177 18.874 1.00 4.60 ? ? ? ? ? ? 477 THR A CG2 1 -ATOM 3659 N N . ASP A 1 478 ? 86.789 18.226 17.169 1.00 12.92 ? ? ? ? ? ? 478 ASP A N 1 -ATOM 3660 C CA . ASP A 1 478 ? 87.603 19.349 16.712 1.00 10.88 ? ? ? ? ? ? 478 ASP A CA 1 -ATOM 3661 C C . ASP A 1 478 ? 89.075 19.001 16.680 1.00 11.44 ? ? ? ? ? ? 478 ASP A C 1 -ATOM 3662 O O . ASP A 1 478 ? 89.756 19.308 15.698 1.00 12.64 ? ? ? ? ? ? 478 ASP A O 1 -ATOM 3663 C CB . ASP A 1 478 ? 87.361 20.593 17.551 1.00 10.89 ? ? ? ? ? ? 478 ASP A CB 1 -ATOM 3664 C CG . ASP A 1 478 ? 86.054 21.274 17.201 1.00 10.30 ? ? ? ? ? ? 478 ASP A CG 1 -ATOM 3665 O OD1 . ASP A 1 478 ? 85.957 21.982 16.182 1.00 9.35 ? ? ? ? ? ? 478 ASP A OD1 1 -ATOM 3666 O OD2 . ASP A 1 478 ? 85.095 21.074 17.938 1.00 12.13 ? ? ? ? ? ? 478 ASP A OD2 1 -ATOM 3667 N N . TRP A 1 479 ? 89.571 18.294 17.689 1.00 10.39 ? ? ? ? ? ? 479 TRP A N 1 -ATOM 3668 C CA . TRP A 1 479 ? 90.979 17.950 17.640 1.00 10.69 ? ? ? ? ? ? 479 TRP A CA 1 -ATOM 3669 C C . TRP A 1 479 ? 91.356 16.948 16.547 1.00 10.59 ? ? ? ? ? ? 479 TRP A C 1 -ATOM 3670 O O . TRP A 1 479 ? 92.482 16.960 16.070 1.00 11.34 ? ? ? ? ? ? 479 TRP A O 1 -ATOM 3671 C CB . TRP A 1 479 ? 91.522 17.550 19.006 1.00 10.52 ? ? ? ? ? ? 479 TRP A CB 1 -ATOM 3672 C CG . TRP A 1 479 ? 90.795 16.484 19.678 1.00 11.63 ? ? ? ? ? ? 479 TRP A CG 1 -ATOM 3673 C CD1 . TRP A 1 479 ? 89.897 16.630 20.693 1.00 12.97 ? ? ? ? ? ? 479 TRP A CD1 1 -ATOM 3674 C CD2 . TRP A 1 479 ? 90.924 15.075 19.447 1.00 12.63 ? ? ? ? ? ? 479 TRP A CD2 1 -ATOM 3675 N NE1 . TRP A 1 479 ? 89.458 15.394 21.117 1.00 14.98 ? ? ? ? ? ? 479 TRP A NE1 1 -ATOM 3676 C CE2 . TRP A 1 479 ? 90.069 14.421 20.364 1.00 14.46 ? ? ? ? ? ? 479 TRP A CE2 1 -ATOM 3677 C CE3 . TRP A 1 479 ? 91.673 14.301 18.554 1.00 12.69 ? ? ? ? ? ? 479 TRP A CE3 1 -ATOM 3678 C CZ2 . TRP A 1 479 ? 89.937 13.027 20.406 1.00 12.55 ? ? ? ? ? ? 479 TRP A CZ2 1 -ATOM 3679 C CZ3 . TRP A 1 479 ? 91.537 12.917 18.598 1.00 14.04 ? ? ? ? ? ? 479 TRP A CZ3 1 -ATOM 3680 C CH2 . TRP A 1 479 ? 90.672 12.298 19.518 1.00 13.84 ? ? ? ? ? ? 479 TRP A CH2 1 -ATOM 3681 N N . GLN A 1 480 ? 90.429 16.096 16.128 1.00 10.97 ? ? ? ? ? ? 480 GLN A N 1 -ATOM 3682 C CA . GLN A 1 480 ? 90.730 15.144 15.057 1.00 11.29 ? ? ? ? ? ? 480 GLN A CA 1 -ATOM 3683 C C . GLN A 1 480 ? 90.847 15.861 13.724 1.00 11.04 ? ? ? ? ? ? 480 GLN A C 1 -ATOM 3684 O O . GLN A 1 480 ? 91.677 15.505 12.896 1.00 13.74 ? ? ? ? ? ? 480 GLN A O 1 -ATOM 3685 C CB . GLN A 1 480 ? 89.662 14.063 14.953 1.00 12.59 ? ? ? ? ? ? 480 GLN A CB 1 -ATOM 3686 C CG . GLN A 1 480 ? 89.934 12.895 15.863 1.00 15.48 ? ? ? ? ? ? 480 GLN A CG 1 -ATOM 3687 C CD . GLN A 1 480 ? 88.718 12.059 16.135 1.00 16.33 ? ? ? ? ? ? 480 GLN A CD 1 -ATOM 3688 O OE1 . GLN A 1 480 ? 87.590 12.537 16.047 1.00 18.80 ? ? ? ? ? ? 480 GLN A OE1 1 -ATOM 3689 N NE2 . GLN A 1 480 ? 88.934 10.807 16.487 1.00 18.89 ? ? ? ? ? ? 480 GLN A NE2 1 -ATOM 3690 N N . ILE A 1 481 ? 90.053 16.898 13.522 1.00 9.54 ? ? ? ? ? ? 481 ILE A N 1 -ATOM 3691 C CA . ILE A 1 481 ? 90.122 17.621 12.270 1.00 9.27 ? ? ? ? ? ? 481 ILE A CA 1 -ATOM 3692 C C . ILE A 1 481 ? 91.446 18.348 12.181 1.00 9.88 ? ? ? ? ? ? 481 ILE A C 1 -ATOM 3693 O O . ILE A 1 481 ? 92.189 18.135 11.250 1.00 12.20 ? ? ? ? ? ? 481 ILE A O 1 -ATOM 3694 C CB . ILE A 1 481 ? 88.982 18.617 12.121 1.00 9.49 ? ? ? ? ? ? 481 ILE A CB 1 -ATOM 3695 C CG1 . ILE A 1 481 ? 87.626 17.907 12.289 1.00 7.35 ? ? ? ? ? ? 481 ILE A CG1 1 -ATOM 3696 C CG2 . ILE A 1 481 ? 89.100 19.281 10.770 1.00 10.60 ? ? ? ? ? ? 481 ILE A CG2 1 -ATOM 3697 C CD1 . ILE A 1 481 ? 86.426 18.762 12.030 1.00 3.24 ? ? ? ? ? ? 481 ILE A CD1 1 -ATOM 3698 N N . ILE A 1 482 ? 91.762 19.172 13.175 1.00 10.65 ? ? ? ? ? ? 482 ILE A N 1 -ATOM 3699 C CA . ILE A 1 482 ? 93.033 19.911 13.218 1.00 10.56 ? ? ? ? ? ? 482 ILE A CA 1 -ATOM 3700 C C . ILE A 1 482 ? 94.215 18.947 13.131 1.00 11.38 ? ? ? ? ? ? 482 ILE A C 1 -ATOM 3701 O O . ILE A 1 482 ? 95.217 19.258 12.493 1.00 12.13 ? ? ? ? ? ? 482 ILE A O 1 -ATOM 3702 C CB . ILE A 1 482 ? 93.199 20.706 14.537 1.00 10.07 ? ? ? ? ? ? 482 ILE A CB 1 -ATOM 3703 C CG1 . ILE A 1 482 ? 92.141 21.815 14.638 1.00 11.35 ? ? ? ? ? ? 482 ILE A CG1 1 -ATOM 3704 C CG2 . ILE A 1 482 ? 94.578 21.305 14.607 1.00 9.64 ? ? ? ? ? ? 482 ILE A CG2 1 -ATOM 3705 C CD1 . ILE A 1 482 ? 91.799 22.241 16.089 1.00 11.06 ? ? ? ? ? ? 482 ILE A CD1 1 -ATOM 3706 N N . SER A 1 483 ? 94.130 17.797 13.797 1.00 12.16 ? ? ? ? ? ? 483 SER A N 1 -ATOM 3707 C CA . SER A 1 483 ? 95.221 16.830 13.739 1.00 13.32 ? ? ? ? ? ? 483 SER A CA 1 -ATOM 3708 C C . SER A 1 483 ? 95.454 16.354 12.300 1.00 13.51 ? ? ? ? ? ? 483 SER A C 1 -ATOM 3709 O O . SER A 1 483 ? 96.594 16.282 11.828 1.00 13.47 ? ? ? ? ? ? 483 SER A O 1 -ATOM 3710 C CB . SER A 1 483 ? 94.954 15.632 14.659 1.00 14.20 ? ? ? ? ? ? 483 SER A CB 1 -ATOM 3711 O OG . SER A 1 483 ? 95.109 15.954 16.032 1.00 15.27 ? ? ? ? ? ? 483 SER A OG 1 -ATOM 3712 N N . GLU A 1 484 ? 94.373 16.113 11.571 1.00 13.23 ? ? ? ? ? ? 484 GLU A N 1 -ATOM 3713 C CA . GLU A 1 484 ? 94.510 15.635 10.206 1.00 13.48 ? ? ? ? ? ? 484 GLU A CA 1 -ATOM 3714 C C . GLU A 1 484 ? 95.081 16.668 9.244 1.00 11.78 ? ? ? ? ? ? 484 GLU A C 1 -ATOM 3715 O O . GLU A 1 484 ? 95.792 16.324 8.310 1.00 11.06 ? ? ? ? ? ? 484 GLU A O 1 -ATOM 3716 C CB . GLU A 1 484 ? 93.182 15.104 9.701 1.00 15.05 ? ? ? ? ? ? 484 GLU A CB 1 -ATOM 3717 C CG . GLU A 1 484 ? 93.312 14.307 8.421 1.00 18.88 ? ? ? ? ? ? 484 GLU A CG 1 -ATOM 3718 C CD . GLU A 1 484 ? 92.091 13.450 8.153 1.00 20.97 ? ? ? ? ? ? 484 GLU A CD 1 -ATOM 3719 O OE1 . GLU A 1 484 ? 91.416 13.062 9.138 1.00 23.05 ? ? ? ? ? ? 484 GLU A OE1 1 -ATOM 3720 O OE2 . GLU A 1 484 ? 91.813 13.161 6.966 1.00 22.07 ? ? ? ? ? ? 484 GLU A OE2 1 -ATOM 3721 N N . ILE A 1 485 ? 94.751 17.932 9.459 1.00 11.94 ? ? ? ? ? ? 485 ILE A N 1 -ATOM 3722 C CA . ILE A 1 485 ? 95.260 19.015 8.613 1.00 11.44 ? ? ? ? ? ? 485 ILE A CA 1 -ATOM 3723 C C . ILE A 1 485 ? 96.753 19.227 8.895 1.00 11.10 ? ? ? ? ? ? 485 ILE A C 1 -ATOM 3724 O O . ILE A 1 485 ? 97.545 19.420 7.965 1.00 10.59 ? ? ? ? ? ? 485 ILE A O 1 -ATOM 3725 C CB . ILE A 1 485 ? 94.488 20.316 8.831 1.00 9.38 ? ? ? ? ? ? 485 ILE A CB 1 -ATOM 3726 C CG1 . ILE A 1 485 ? 92.997 20.085 8.569 1.00 11.38 ? ? ? ? ? ? 485 ILE A CG1 1 -ATOM 3727 C CG2 . ILE A 1 485 ? 94.971 21.332 7.875 1.00 9.57 ? ? ? ? ? ? 485 ILE A CG2 1 -ATOM 3728 C CD1 . ILE A 1 485 ? 92.115 21.340 8.689 1.00 11.28 ? ? ? ? ? ? 485 ILE A CD1 1 -ATOM 3729 N N . ALA A 1 486 ? 97.120 19.126 10.174 1.00 10.44 ? ? ? ? ? ? 486 ALA A N 1 -ATOM 3730 C CA . ALA A 1 486 ? 98.493 19.247 10.625 1.00 10.11 ? ? ? ? ? ? 486 ALA A CA 1 -ATOM 3731 C C . ALA A 1 486 ? 99.281 18.170 9.889 1.00 11.09 ? ? ? ? ? ? 486 ALA A C 1 -ATOM 3732 O O . ALA A 1 486 ? 100.274 18.449 9.207 1.00 13.00 ? ? ? ? ? ? 486 ALA A O 1 -ATOM 3733 C CB . ALA A 1 486 ? 98.558 19.004 12.109 1.00 9.86 ? ? ? ? ? ? 486 ALA A CB 1 -ATOM 3734 N N . THR A 1 487 ? 98.798 16.939 9.978 1.00 10.98 ? ? ? ? ? ? 487 THR A N 1 -ATOM 3735 C CA . THR A 1 487 ? 99.435 15.825 9.306 1.00 10.29 ? ? ? ? ? ? 487 THR A CA 1 -ATOM 3736 C C . THR A 1 487 ? 99.541 16.071 7.802 1.00 10.65 ? ? ? ? ? ? 487 THR A C 1 -ATOM 3737 O O . THR A 1 487 ? 100.594 15.868 7.214 1.00 12.01 ? ? ? ? ? ? 487 THR A O 1 -ATOM 3738 C CB . THR A 1 487 ? 98.657 14.517 9.546 1.00 10.13 ? ? ? ? ? ? 487 THR A CB 1 -ATOM 3739 O OG1 . THR A 1 487 ? 98.457 14.321 10.956 1.00 10.69 ? ? ? ? ? ? 487 THR A OG1 1 -ATOM 3740 C CG2 . THR A 1 487 ? 99.436 13.331 8.982 1.00 10.10 ? ? ? ? ? ? 487 THR A CG2 1 -ATOM 3741 N N . ARG A 1 488 ? 98.463 16.529 7.173 1.00 11.54 ? ? ? ? ? ? 488 ARG A N 1 -ATOM 3742 C CA . ARG A 1 488 ? 98.491 16.769 5.733 1.00 13.01 ? ? ? ? ? ? 488 ARG A CA 1 -ATOM 3743 C C . ARG A 1 488 ? 99.466 17.872 5.344 1.00 14.43 ? ? ? ? ? ? 488 ARG A C 1 -ATOM 3744 O O . ARG A 1 488 ? 99.950 17.942 4.203 1.00 15.25 ? ? ? ? ? ? 488 ARG A O 1 -ATOM 3745 C CB . ARG A 1 488 ? 97.090 17.041 5.200 1.00 11.21 ? ? ? ? ? ? 488 ARG A CB 1 -ATOM 3746 C CG . ARG A 1 488 ? 96.196 15.818 5.316 1.00 11.54 ? ? ? ? ? ? 488 ARG A CG 1 -ATOM 3747 C CD . ARG A 1 488 ? 94.815 16.089 4.779 1.00 12.15 ? ? ? ? ? ? 488 ARG A CD 1 -ATOM 3748 N NE . ARG A 1 488 ? 93.970 14.913 4.874 1.00 11.42 ? ? ? ? ? ? 488 ARG A NE 1 -ATOM 3749 C CZ . ARG A 1 488 ? 93.434 14.303 3.825 1.00 12.18 ? ? ? ? ? ? 488 ARG A CZ 1 -ATOM 3750 N NH1 . ARG A 1 488 ? 93.646 14.747 2.591 1.00 9.83 ? ? ? ? ? ? 488 ARG A NH1 1 -ATOM 3751 N NH2 . ARG A 1 488 ? 92.679 13.240 4.016 1.00 13.82 ? ? ? ? ? ? 488 ARG A NH2 1 -ATOM 3752 N N . MET A 1 489 ? 99.786 18.706 6.322 1.00 14.64 ? ? ? ? ? ? 489 MET A N 1 -ATOM 3753 C CA . MET A 1 489 ? 100.716 19.783 6.121 1.00 13.02 ? ? ? ? ? ? 489 MET A CA 1 -ATOM 3754 C C . MET A 1 489 ? 102.121 19.333 6.472 1.00 12.30 ? ? ? ? ? ? 489 MET A C 1 -ATOM 3755 O O . MET A 1 489 ? 103.004 20.153 6.626 1.00 13.73 ? ? ? ? ? ? 489 MET A O 1 -ATOM 3756 C CB . MET A 1 489 ? 100.301 20.968 6.968 1.00 15.69 ? ? ? ? ? ? 489 MET A CB 1 -ATOM 3757 C CG . MET A 1 489 ? 98.977 21.612 6.523 1.00 17.43 ? ? ? ? ? ? 489 MET A CG 1 -ATOM 3758 S SD . MET A 1 489 ? 98.891 23.314 7.088 1.00 18.39 ? ? ? ? ? ? 489 MET A SD 1 -ATOM 3759 C CE . MET A 1 489 ? 97.442 23.260 8.017 1.00 17.31 ? ? ? ? ? ? 489 MET A CE 1 -ATOM 3760 N N . GLY A 1 490 ? 102.320 18.032 6.642 1.00 11.30 ? ? ? ? ? ? 490 GLY A N 1 -ATOM 3761 C CA . GLY A 1 490 ? 103.635 17.524 6.940 1.00 10.34 ? ? ? ? ? ? 490 GLY A CA 1 -ATOM 3762 C C . GLY A 1 490 ? 104.008 17.303 8.384 1.00 12.57 ? ? ? ? ? ? 490 GLY A C 1 -ATOM 3763 O O . GLY A 1 490 ? 105.006 16.625 8.653 1.00 13.92 ? ? ? ? ? ? 490 GLY A O 1 -ATOM 3764 N N . TYR A 1 491 ? 103.265 17.873 9.329 1.00 13.66 ? ? ? ? ? ? 491 TYR A N 1 -ATOM 3765 C CA . TYR A 1 491 ? 103.597 17.681 10.750 1.00 13.53 ? ? ? ? ? ? 491 TYR A CA 1 -ATOM 3766 C C . TYR A 1 491 ? 102.717 16.547 11.279 1.00 15.18 ? ? ? ? ? ? 491 TYR A C 1 -ATOM 3767 O O . TYR A 1 491 ? 101.498 16.678 11.370 1.00 16.62 ? ? ? ? ? ? 491 TYR A O 1 -ATOM 3768 C CB . TYR A 1 491 ? 103.365 18.974 11.528 1.00 10.60 ? ? ? ? ? ? 491 TYR A CB 1 -ATOM 3769 C CG . TYR A 1 491 ? 103.695 18.865 13.000 1.00 10.96 ? ? ? ? ? ? 491 TYR A CG 1 -ATOM 3770 C CD1 . TYR A 1 491 ? 102.777 18.327 13.907 1.00 10.43 ? ? ? ? ? ? 491 TYR A CD1 1 -ATOM 3771 C CD2 . TYR A 1 491 ? 104.926 19.283 13.491 1.00 10.76 ? ? ? ? ? ? 491 TYR A CD2 1 -ATOM 3772 C CE1 . TYR A 1 491 ? 103.073 18.204 15.232 1.00 8.66 ? ? ? ? ? ? 491 TYR A CE1 1 -ATOM 3773 C CE2 . TYR A 1 491 ? 105.234 19.160 14.839 1.00 10.10 ? ? ? ? ? ? 491 TYR A CE2 1 -ATOM 3774 C CZ . TYR A 1 491 ? 104.301 18.614 15.694 1.00 9.22 ? ? ? ? ? ? 491 TYR A CZ 1 -ATOM 3775 O OH . TYR A 1 491 ? 104.618 18.427 17.009 1.00 11.64 ? ? ? ? ? ? 491 TYR A OH 1 -ATOM 3776 N N . PRO A 1 492 ? 103.318 15.414 11.634 1.00 16.32 ? ? ? ? ? ? 492 PRO A N 1 -ATOM 3777 C CA . PRO A 1 492 ? 102.524 14.281 12.137 1.00 17.12 ? ? ? ? ? ? 492 PRO A CA 1 -ATOM 3778 C C . PRO A 1 492 ? 101.766 14.520 13.433 1.00 16.71 ? ? ? ? ? ? 492 PRO A C 1 -ATOM 3779 O O . PRO A 1 492 ? 102.366 14.910 14.421 1.00 18.58 ? ? ? ? ? ? 492 PRO A O 1 -ATOM 3780 C CB . PRO A 1 492 ? 103.573 13.185 12.308 1.00 17.33 ? ? ? ? ? ? 492 PRO A CB 1 -ATOM 3781 C CG . PRO A 1 492 ? 104.815 13.971 12.644 1.00 16.42 ? ? ? ? ? ? 492 PRO A CG 1 -ATOM 3782 C CD . PRO A 1 492 ? 104.758 15.108 11.652 1.00 16.16 ? ? ? ? ? ? 492 PRO A CD 1 -ATOM 3783 N N . MET A 1 493 ? 100.462 14.252 13.440 1.00 16.29 ? ? ? ? ? ? 493 MET A N 1 -ATOM 3784 C CA . MET A 1 493 ? 99.657 14.419 14.648 1.00 16.68 ? ? ? ? ? ? 493 MET A CA 1 -ATOM 3785 C C . MET A 1 493 ? 98.380 13.587 14.618 1.00 15.84 ? ? ? ? ? ? 493 MET A C 1 -ATOM 3786 O O . MET A 1 493 ? 97.627 13.617 13.652 1.00 16.58 ? ? ? ? ? ? 493 MET A O 1 -ATOM 3787 C CB . MET A 1 493 ? 99.309 15.900 14.864 1.00 19.74 ? ? ? ? ? ? 493 MET A CB 1 -ATOM 3788 C CG . MET A 1 493 ? 98.619 16.270 16.202 1.00 20.98 ? ? ? ? ? ? 493 MET A CG 1 -ATOM 3789 S SD . MET A 1 493 ? 98.754 18.105 16.584 1.00 24.84 ? ? ? ? ? ? 493 MET A SD 1 -ATOM 3790 C CE . MET A 1 493 ? 97.544 18.811 15.493 1.00 21.96 ? ? ? ? ? ? 493 MET A CE 1 -ATOM 3791 N N . HIS A 1 494 ? 98.182 12.788 15.655 1.00 13.73 ? ? ? ? ? ? 494 HIS A N 1 -ATOM 3792 C CA . HIS A 1 494 ? 96.982 11.983 15.787 1.00 13.47 ? ? ? ? ? ? 494 HIS A CA 1 -ATOM 3793 C C . HIS A 1 494 ? 96.855 11.556 17.260 1.00 12.83 ? ? ? ? ? ? 494 HIS A C 1 -ATOM 3794 O O . HIS A 1 494 ? 97.821 11.130 17.877 1.00 14.57 ? ? ? ? ? ? 494 HIS A O 1 -ATOM 3795 C CB . HIS A 1 494 ? 97.006 10.779 14.849 1.00 14.26 ? ? ? ? ? ? 494 HIS A CB 1 -ATOM 3796 C CG . HIS A 1 494 ? 97.211 9.472 15.548 1.00 17.29 ? ? ? ? ? ? 494 HIS A CG 1 -ATOM 3797 N ND1 . HIS A 1 494 ? 98.463 8.978 15.855 1.00 16.01 ? ? ? ? ? ? 494 HIS A ND1 1 -ATOM 3798 C CD2 . HIS A 1 494 ? 96.319 8.571 16.025 1.00 17.43 ? ? ? ? ? ? 494 HIS A CD2 1 -ATOM 3799 C CE1 . HIS A 1 494 ? 98.331 7.827 16.491 1.00 18.51 ? ? ? ? ? ? 494 HIS A CE1 1 -ATOM 3800 N NE2 . HIS A 1 494 ? 97.040 7.558 16.608 1.00 19.52 ? ? ? ? ? ? 494 HIS A NE2 1 -ATOM 3801 N N . TYR A 1 495 ? 95.676 11.728 17.834 1.00 11.62 ? ? ? ? ? ? 495 TYR A N 1 -ATOM 3802 C CA . TYR A 1 495 ? 95.432 11.378 19.215 1.00 9.77 ? ? ? ? ? ? 495 TYR A CA 1 -ATOM 3803 C C . TYR A 1 495 ? 94.314 10.355 19.268 1.00 10.36 ? ? ? ? ? ? 495 TYR A C 1 -ATOM 3804 O O . TYR A 1 495 ? 93.265 10.476 18.612 1.00 10.33 ? ? ? ? ? ? 495 TYR A O 1 -ATOM 3805 C CB . TYR A 1 495 ? 95.050 12.623 20.003 1.00 10.09 ? ? ? ? ? ? 495 TYR A CB 1 -ATOM 3806 C CG . TYR A 1 495 ? 96.161 13.655 20.116 1.00 9.80 ? ? ? ? ? ? 495 TYR A CG 1 -ATOM 3807 C CD1 . TYR A 1 495 ? 97.158 13.504 21.077 1.00 10.75 ? ? ? ? ? ? 495 TYR A CD1 1 -ATOM 3808 C CD2 . TYR A 1 495 ? 96.225 14.769 19.270 1.00 6.22 ? ? ? ? ? ? 495 TYR A CD2 1 -ATOM 3809 C CE1 . TYR A 1 495 ? 98.188 14.422 21.198 1.00 9.25 ? ? ? ? ? ? 495 TYR A CE1 1 -ATOM 3810 C CE2 . TYR A 1 495 ? 97.268 15.689 19.385 1.00 6.39 ? ? ? ? ? ? 495 TYR A CE2 1 -ATOM 3811 C CZ . TYR A 1 495 ? 98.247 15.499 20.355 1.00 6.91 ? ? ? ? ? ? 495 TYR A CZ 1 -ATOM 3812 O OH . TYR A 1 495 ? 99.344 16.314 20.495 1.00 7.37 ? ? ? ? ? ? 495 TYR A OH 1 -ATOM 3813 N N . ASN A 1 496 ? 94.602 9.279 19.967 1.00 9.54 ? ? ? ? ? ? 496 ASN A N 1 -ATOM 3814 C CA . ASN A 1 496 ? 93.653 8.204 20.118 1.00 9.63 ? ? ? ? ? ? 496 ASN A CA 1 -ATOM 3815 C C . ASN A 1 496 ? 92.464 8.649 20.950 1.00 10.59 ? ? ? ? ? ? 496 ASN A C 1 -ATOM 3816 O O . ASN A 1 496 ? 91.365 8.129 20.798 1.00 11.68 ? ? ? ? ? ? 496 ASN A O 1 -ATOM 3817 C CB . ASN A 1 496 ? 94.355 6.977 20.702 1.00 7.09 ? ? ? ? ? ? 496 ASN A CB 1 -ATOM 3818 C CG . ASN A 1 496 ? 95.526 6.532 19.838 1.00 7.45 ? ? ? ? ? ? 496 ASN A CG 1 -ATOM 3819 O OD1 . ASN A 1 496 ? 95.427 6.450 18.599 1.00 7.19 ? ? ? ? ? ? 496 ASN A OD1 1 -ATOM 3820 N ND2 . ASN A 1 496 ? 96.663 6.334 20.466 1.00 5.59 ? ? ? ? ? ? 496 ASN A ND2 1 -ATOM 3821 N N . ASN A 1 497 ? 92.666 9.651 21.793 1.00 12.00 ? ? ? ? ? ? 497 ASN A N 1 -ATOM 3822 C CA . ASN A 1 497 ? 91.593 10.162 22.626 1.00 12.87 ? ? ? ? ? ? 497 ASN A CA 1 -ATOM 3823 C C . ASN A 1 497 ? 92.012 11.424 23.357 1.00 13.97 ? ? ? ? ? ? 497 ASN A C 1 -ATOM 3824 O O . ASN A 1 497 ? 93.172 11.840 23.275 1.00 16.18 ? ? ? ? ? ? 497 ASN A O 1 -ATOM 3825 C CB . ASN A 1 497 ? 91.085 9.079 23.567 1.00 13.04 ? ? ? ? ? ? 497 ASN A CB 1 -ATOM 3826 C CG . ASN A 1 497 ? 92.191 8.281 24.192 1.00 15.88 ? ? ? ? ? ? 497 ASN A CG 1 -ATOM 3827 O OD1 . ASN A 1 497 ? 93.039 7.697 23.511 1.00 18.21 ? ? ? ? ? ? 497 ASN A OD1 1 -ATOM 3828 N ND2 . ASN A 1 497 ? 92.191 8.237 25.504 1.00 19.97 ? ? ? ? ? ? 497 ASN A ND2 1 -ATOM 3829 N N . THR A 1 498 ? 91.086 12.049 24.068 1.00 14.48 ? ? ? ? ? ? 498 THR A N 1 -ATOM 3830 C CA . THR A 1 498 ? 91.407 13.295 24.750 1.00 15.27 ? ? ? ? ? ? 498 THR A CA 1 -ATOM 3831 C C . THR A 1 498 ? 92.410 13.240 25.904 1.00 16.33 ? ? ? ? ? ? 498 THR A C 1 -ATOM 3832 O O . THR A 1 498 ? 93.225 14.154 26.050 1.00 18.47 ? ? ? ? ? ? 498 THR A O 1 -ATOM 3833 C CB . THR A 1 498 ? 90.142 14.061 25.176 1.00 14.96 ? ? ? ? ? ? 498 THR A CB 1 -ATOM 3834 O OG1 . THR A 1 498 ? 89.467 13.353 26.216 1.00 13.98 ? ? ? ? ? ? 498 THR A OG1 1 -ATOM 3835 C CG2 . THR A 1 498 ? 89.209 14.248 23.977 1.00 14.08 ? ? ? ? ? ? 498 THR A CG2 1 -ATOM 3836 N N . GLN A 1 499 ? 92.384 12.182 26.716 1.00 15.96 ? ? ? ? ? ? 499 GLN A N 1 -ATOM 3837 C CA . GLN A 1 499 ? 93.333 12.088 27.832 1.00 12.63 ? ? ? ? ? ? 499 GLN A CA 1 -ATOM 3838 C C . GLN A 1 499 ? 94.790 12.093 27.363 1.00 11.32 ? ? ? ? ? ? 499 GLN A C 1 -ATOM 3839 O O . GLN A 1 499 ? 95.694 12.523 28.086 1.00 11.53 ? ? ? ? ? ? 499 GLN A O 1 -ATOM 3840 C CB . GLN A 1 499 ? 93.076 10.841 28.662 1.00 11.62 ? ? ? ? ? ? 499 GLN A CB 1 -ATOM 3841 C CG . GLN A 1 499 ? 93.899 10.869 29.906 1.00 12.53 ? ? ? ? ? ? 499 GLN A CG 1 -ATOM 3842 C CD . GLN A 1 499 ? 93.882 9.587 30.688 1.00 13.06 ? ? ? ? ? ? 499 GLN A CD 1 -ATOM 3843 O OE1 . GLN A 1 499 ? 92.968 8.772 30.573 1.00 12.75 ? ? ? ? ? ? 499 GLN A OE1 1 -ATOM 3844 N NE2 . GLN A 1 499 ? 94.892 9.414 31.522 1.00 11.99 ? ? ? ? ? ? 499 GLN A NE2 1 -ATOM 3845 N N . GLU A 1 500 ? 95.010 11.575 26.163 1.00 9.88 ? ? ? ? ? ? 500 GLU A N 1 -ATOM 3846 C CA . GLU A 1 500 ? 96.329 11.525 25.578 1.00 9.61 ? ? ? ? ? ? 500 GLU A CA 1 -ATOM 3847 C C . GLU A 1 500 ? 96.812 12.954 25.454 1.00 10.62 ? ? ? ? ? ? 500 GLU A C 1 -ATOM 3848 O O . GLU A 1 500 ? 97.972 13.261 25.723 1.00 11.81 ? ? ? ? ? ? 500 GLU A O 1 -ATOM 3849 C CB . GLU A 1 500 ? 96.260 10.866 24.206 1.00 9.14 ? ? ? ? ? ? 500 GLU A CB 1 -ATOM 3850 C CG . GLU A 1 500 ? 96.962 9.529 24.173 1.00 11.97 ? ? ? ? ? ? 500 GLU A CG 1 -ATOM 3851 C CD . GLU A 1 500 ? 96.499 8.613 23.044 1.00 14.21 ? ? ? ? ? ? 500 GLU A CD 1 -ATOM 3852 O OE1 . GLU A 1 500 ? 96.144 9.137 21.980 1.00 13.34 ? ? ? ? ? ? 500 GLU A OE1 1 -ATOM 3853 O OE2 . GLU A 1 500 ? 96.484 7.365 23.233 1.00 17.53 ? ? ? ? ? ? 500 GLU A OE2 1 -ATOM 3854 N N . ILE A 1 501 ? 95.895 13.842 25.080 1.00 11.32 ? ? ? ? ? ? 501 ILE A N 1 -ATOM 3855 C CA . ILE A 1 501 ? 96.216 15.254 24.935 1.00 7.76 ? ? ? ? ? ? 501 ILE A CA 1 -ATOM 3856 C C . ILE A 1 501 ? 96.388 15.808 26.319 1.00 5.78 ? ? ? ? ? ? 501 ILE A C 1 -ATOM 3857 O O . ILE A 1 501 ? 97.363 16.466 26.599 1.00 5.60 ? ? ? ? ? ? 501 ILE A O 1 -ATOM 3858 C CB . ILE A 1 501 ? 95.099 16.016 24.259 1.00 8.09 ? ? ? ? ? ? 501 ILE A CB 1 -ATOM 3859 C CG1 . ILE A 1 501 ? 94.745 15.368 22.915 1.00 7.98 ? ? ? ? ? ? 501 ILE A CG1 1 -ATOM 3860 C CG2 . ILE A 1 501 ? 95.534 17.451 24.035 1.00 11.03 ? ? ? ? ? ? 501 ILE A CG2 1 -ATOM 3861 C CD1 . ILE A 1 501 ? 93.554 15.996 22.232 1.00 6.74 ? ? ? ? ? ? 501 ILE A CD1 1 -ATOM 3862 N N . TRP A 1 502 ? 95.492 15.458 27.222 1.00 5.54 ? ? ? ? ? ? 502 TRP A N 1 -ATOM 3863 C CA . TRP A 1 502 ? 95.605 15.965 28.577 1.00 8.20 ? ? ? ? ? ? 502 TRP A CA 1 -ATOM 3864 C C . TRP A 1 502 ? 96.911 15.599 29.289 1.00 11.12 ? ? ? ? ? ? 502 TRP A C 1 -ATOM 3865 O O . TRP A 1 502 ? 97.395 16.368 30.120 1.00 12.86 ? ? ? ? ? ? 502 TRP A O 1 -ATOM 3866 C CB . TRP A 1 502 ? 94.397 15.564 29.415 1.00 6.03 ? ? ? ? ? ? 502 TRP A CB 1 -ATOM 3867 C CG . TRP A 1 502 ? 94.328 16.269 30.748 1.00 3.75 ? ? ? ? ? ? 502 TRP A CG 1 -ATOM 3868 C CD1 . TRP A 1 502 ? 94.624 15.739 31.970 1.00 3.09 ? ? ? ? ? ? 502 TRP A CD1 1 -ATOM 3869 C CD2 . TRP A 1 502 ? 93.931 17.623 30.984 1.00 2.00 ? ? ? ? ? ? 502 TRP A CD2 1 -ATOM 3870 N NE1 . TRP A 1 502 ? 94.432 16.676 32.946 1.00 2.41 ? ? ? ? ? ? 502 TRP A NE1 1 -ATOM 3871 C CE2 . TRP A 1 502 ? 94.012 17.842 32.370 1.00 2.00 ? ? ? ? ? ? 502 TRP A CE2 1 -ATOM 3872 C CE3 . TRP A 1 502 ? 93.525 18.670 30.155 1.00 2.00 ? ? ? ? ? ? 502 TRP A CE3 1 -ATOM 3873 C CZ2 . TRP A 1 502 ? 93.710 19.074 32.952 1.00 2.00 ? ? ? ? ? ? 502 TRP A CZ2 1 -ATOM 3874 C CZ3 . TRP A 1 502 ? 93.222 19.898 30.728 1.00 2.96 ? ? ? ? ? ? 502 TRP A CZ3 1 -ATOM 3875 C CH2 . TRP A 1 502 ? 93.318 20.087 32.120 1.00 4.03 ? ? ? ? ? ? 502 TRP A CH2 1 -ATOM 3876 N N . ASP A 1 503 ? 97.525 14.476 28.934 1.00 14.06 ? ? ? ? ? ? 503 ASP A N 1 -ATOM 3877 C CA . ASP A 1 503 ? 98.775 14.083 29.590 1.00 16.16 ? ? ? ? ? ? 503 ASP A CA 1 -ATOM 3878 C C . ASP A 1 503 ? 100.015 14.777 29.028 1.00 15.78 ? ? ? ? ? ? 503 ASP A C 1 -ATOM 3879 O O . ASP A 1 503 ? 100.968 15.070 29.756 1.00 14.98 ? ? ? ? ? ? 503 ASP A O 1 -ATOM 3880 C CB . ASP A 1 503 ? 98.936 12.560 29.574 1.00 18.51 ? ? ? ? ? ? 503 ASP A CB 1 -ATOM 3881 C CG . ASP A 1 503 ? 97.821 11.848 30.337 1.00 19.74 ? ? ? ? ? ? 503 ASP A CG 1 -ATOM 3882 O OD1 . ASP A 1 503 ? 97.354 12.396 31.353 1.00 19.72 ? ? ? ? ? ? 503 ASP A OD1 1 -ATOM 3883 O OD2 . ASP A 1 503 ? 97.423 10.734 29.927 1.00 22.34 ? ? ? ? ? ? 503 ASP A OD2 1 -ATOM 3884 N N . GLU A 1 504 ? 100.002 15.028 27.729 1.00 15.86 ? ? ? ? ? ? 504 GLU A N 1 -ATOM 3885 C CA . GLU A 1 504 ? 101.106 15.709 27.047 1.00 16.34 ? ? ? ? ? ? 504 GLU A CA 1 -ATOM 3886 C C . GLU A 1 504 ? 101.133 17.086 27.685 1.00 17.94 ? ? ? ? ? ? 504 GLU A C 1 -ATOM 3887 O O . GLU A 1 504 ? 102.160 17.577 28.148 1.00 20.81 ? ? ? ? ? ? 504 GLU A O 1 -ATOM 3888 C CB . GLU A 1 504 ? 100.735 15.838 25.577 1.00 13.34 ? ? ? ? ? ? 504 GLU A CB 1 -ATOM 3889 C CG . GLU A 1 504 ? 101.800 16.277 24.657 1.00 12.15 ? ? ? ? ? ? 504 GLU A CG 1 -ATOM 3890 C CD . GLU A 1 504 ? 101.292 16.235 23.228 1.00 13.49 ? ? ? ? ? ? 504 GLU A CD 1 -ATOM 3891 O OE1 . GLU A 1 504 ? 100.769 15.166 22.842 1.00 15.76 ? ? ? ? ? ? 504 GLU A OE1 1 -ATOM 3892 O OE2 . GLU A 1 504 ? 101.375 17.252 22.503 1.00 10.76 ? ? ? ? ? ? 504 GLU A OE2 1 -ATOM 3893 N N . LEU A 1 505 ? 99.934 17.642 27.744 1.00 17.86 ? ? ? ? ? ? 505 LEU A N 1 -ATOM 3894 C CA . LEU A 1 505 ? 99.597 18.926 28.304 1.00 16.33 ? ? ? ? ? ? 505 LEU A CA 1 -ATOM 3895 C C . LEU A 1 505 ? 100.125 18.933 29.733 1.00 16.79 ? ? ? ? ? ? 505 LEU A C 1 -ATOM 3896 O O . LEU A 1 505 ? 100.996 19.731 30.082 1.00 17.92 ? ? ? ? ? ? 505 LEU A O 1 -ATOM 3897 C CB . LEU A 1 505 ? 98.059 18.989 28.280 1.00 16.76 ? ? ? ? ? ? 505 LEU A CB 1 -ATOM 3898 C CG . LEU A 1 505 ? 97.084 20.052 28.759 1.00 15.56 ? ? ? ? ? ? 505 LEU A CG 1 -ATOM 3899 C CD1 . LEU A 1 505 ? 97.238 20.308 30.266 1.00 15.78 ? ? ? ? ? ? 505 LEU A CD1 1 -ATOM 3900 C CD2 . LEU A 1 505 ? 97.278 21.290 27.939 1.00 16.34 ? ? ? ? ? ? 505 LEU A CD2 1 -ATOM 3901 N N . ARG A 1 506 ? 99.646 18.002 30.551 1.00 15.52 ? ? ? ? ? ? 506 ARG A N 1 -ATOM 3902 C CA . ARG A 1 506 ? 100.071 17.950 31.949 1.00 14.21 ? ? ? ? ? ? 506 ARG A CA 1 -ATOM 3903 C C . ARG A 1 506 ? 101.580 17.944 32.138 1.00 13.79 ? ? ? ? ? ? 506 ARG A C 1 -ATOM 3904 O O . ARG A 1 506 ? 102.071 18.423 33.158 1.00 14.73 ? ? ? ? ? ? 506 ARG A O 1 -ATOM 3905 C CB . ARG A 1 506 ? 99.477 16.735 32.665 1.00 12.84 ? ? ? ? ? ? 506 ARG A CB 1 -ATOM 3906 C CG . ARG A 1 506 ? 98.069 16.944 33.185 1.00 12.39 ? ? ? ? ? ? 506 ARG A CG 1 -ATOM 3907 C CD . ARG A 1 506 ? 97.735 15.899 34.232 1.00 11.29 ? ? ? ? ? ? 506 ARG A CD 1 -ATOM 3908 N NE . ARG A 1 506 ? 98.015 14.577 33.708 1.00 10.58 ? ? ? ? ? ? 506 ARG A NE 1 -ATOM 3909 C CZ . ARG A 1 506 ? 98.974 13.766 34.137 1.00 9.18 ? ? ? ? ? ? 506 ARG A CZ 1 -ATOM 3910 N NH1 . ARG A 1 506 ? 99.770 14.101 35.149 1.00 7.07 ? ? ? ? ? ? 506 ARG A NH1 1 -ATOM 3911 N NH2 . ARG A 1 506 ? 99.242 12.684 33.419 1.00 8.12 ? ? ? ? ? ? 506 ARG A NH2 1 -ATOM 3912 N N . HIS A 1 507 ? 102.301 17.370 31.169 1.00 12.49 ? ? ? ? ? ? 507 HIS A N 1 -ATOM 3913 C CA . HIS A 1 507 ? 103.756 17.264 31.211 1.00 9.71 ? ? ? ? ? ? 507 HIS A CA 1 -ATOM 3914 C C . HIS A 1 507 ? 104.500 18.531 30.749 1.00 10.82 ? ? ? ? ? ? 507 HIS A C 1 -ATOM 3915 O O . HIS A 1 507 ? 105.725 18.630 30.905 1.00 10.12 ? ? ? ? ? ? 507 HIS A O 1 -ATOM 3916 C CB . HIS A 1 507 ? 104.207 16.037 30.414 1.00 8.51 ? ? ? ? ? ? 507 HIS A CB 1 -ATOM 3917 C CG . HIS A 1 507 ? 104.069 14.758 31.170 1.00 8.40 ? ? ? ? ? ? 507 HIS A CG 1 -ATOM 3918 N ND1 . HIS A 1 507 ? 103.001 13.903 31.000 1.00 10.07 ? ? ? ? ? ? 507 HIS A ND1 1 -ATOM 3919 C CD2 . HIS A 1 507 ? 104.803 14.231 32.178 1.00 8.56 ? ? ? ? ? ? 507 HIS A CD2 1 -ATOM 3920 C CE1 . HIS A 1 507 ? 103.077 12.919 31.872 1.00 7.18 ? ? ? ? ? ? 507 HIS A CE1 1 -ATOM 3921 N NE2 . HIS A 1 507 ? 104.163 13.094 32.602 1.00 5.67 ? ? ? ? ? ? 507 HIS A NE2 1 -ATOM 3922 N N . LEU A 1 508 ? 103.748 19.494 30.212 1.00 10.60 ? ? ? ? ? ? 508 LEU A N 1 -ATOM 3923 C CA . LEU A 1 508 ? 104.273 20.775 29.744 1.00 10.47 ? ? ? ? ? ? 508 LEU A CA 1 -ATOM 3924 C C . LEU A 1 508 ? 103.796 21.907 30.653 1.00 11.43 ? ? ? ? ? ? 508 LEU A C 1 -ATOM 3925 O O . LEU A 1 508 ? 104.373 22.984 30.664 1.00 13.67 ? ? ? ? ? ? 508 LEU A O 1 -ATOM 3926 C CB . LEU A 1 508 ? 103.804 21.054 28.315 1.00 11.24 ? ? ? ? ? ? 508 LEU A CB 1 -ATOM 3927 C CG . LEU A 1 508 ? 104.216 19.998 27.293 1.00 12.46 ? ? ? ? ? ? 508 LEU A CG 1 -ATOM 3928 C CD1 . LEU A 1 508 ? 103.616 20.305 25.944 1.00 11.76 ? ? ? ? ? ? 508 LEU A CD1 1 -ATOM 3929 C CD2 . LEU A 1 508 ? 105.736 19.971 27.215 1.00 15.36 ? ? ? ? ? ? 508 LEU A CD2 1 -ATOM 3930 N N . CYS A 1 509 ? 102.740 21.678 31.418 1.00 10.84 ? ? ? ? ? ? 509 CYS A N 1 -ATOM 3931 C CA . CYS A 1 509 ? 102.239 22.706 32.314 1.00 10.58 ? ? ? ? ? ? 509 CYS A CA 1 -ATOM 3932 C C . CYS A 1 509 ? 102.374 22.293 33.776 1.00 12.31 ? ? ? ? ? ? 509 CYS A C 1 -ATOM 3933 O O . CYS A 1 509 ? 101.485 21.650 34.344 1.00 13.99 ? ? ? ? ? ? 509 CYS A O 1 -ATOM 3934 C CB . CYS A 1 509 ? 100.807 22.954 31.955 1.00 9.34 ? ? ? ? ? ? 509 CYS A CB 1 -ATOM 3935 S SG . CYS A 1 509 ? 100.712 23.188 30.203 1.00 13.53 ? ? ? ? ? ? 509 CYS A SG 1 -ATOM 3936 N N . PRO A 1 510 ? 103.504 22.631 34.415 1.00 13.57 ? ? ? ? ? ? 510 PRO A N 1 -ATOM 3937 C CA . PRO A 1 510 ? 103.748 22.277 35.824 1.00 14.65 ? ? ? ? ? ? 510 PRO A CA 1 -ATOM 3938 C C . PRO A 1 510 ? 102.662 22.571 36.849 1.00 15.00 ? ? ? ? ? ? 510 PRO A C 1 -ATOM 3939 O O . PRO A 1 510 ? 102.731 22.069 37.956 1.00 16.31 ? ? ? ? ? ? 510 PRO A O 1 -ATOM 3940 C CB . PRO A 1 510 ? 105.055 22.999 36.136 1.00 12.06 ? ? ? ? ? ? 510 PRO A CB 1 -ATOM 3941 C CG . PRO A 1 510 ? 105.792 22.802 34.881 1.00 13.64 ? ? ? ? ? ? 510 PRO A CG 1 -ATOM 3942 C CD . PRO A 1 510 ? 104.744 23.134 33.800 1.00 13.42 ? ? ? ? ? ? 510 PRO A CD 1 -ATOM 3943 N N . ASP A 1 511 ? 101.676 23.377 36.477 1.00 16.25 ? ? ? ? ? ? 511 ASP A N 1 -ATOM 3944 C CA . ASP A 1 511 ? 100.565 23.737 37.358 1.00 17.76 ? ? ? ? ? ? 511 ASP A CA 1 -ATOM 3945 C C . ASP A 1 511 ? 99.303 22.909 37.135 1.00 17.10 ? ? ? ? ? ? 511 ASP A C 1 -ATOM 3946 O O . ASP A 1 511 ? 98.314 23.096 37.845 1.00 17.17 ? ? ? ? ? ? 511 ASP A O 1 -ATOM 3947 C CB . ASP A 1 511 ? 100.183 25.198 37.128 1.00 20.79 ? ? ? ? ? ? 511 ASP A CB 1 -ATOM 3948 C CG . ASP A 1 511 ? 100.773 26.150 38.153 1.00 24.22 ? ? ? ? ? ? 511 ASP A CG 1 -ATOM 3949 O OD1 . ASP A 1 511 ? 101.527 25.744 39.080 1.00 25.84 ? ? ? ? ? ? 511 ASP A OD1 1 -ATOM 3950 O OD2 . ASP A 1 511 ? 100.445 27.345 38.017 1.00 27.38 ? ? ? ? ? ? 511 ASP A OD2 1 -ATOM 3951 N N . PHE A 1 512 ? 99.301 22.092 36.086 1.00 15.81 ? ? ? ? ? ? 512 PHE A N 1 -ATOM 3952 C CA . PHE A 1 512 ? 98.158 21.259 35.736 1.00 14.24 ? ? ? ? ? ? 512 PHE A CA 1 -ATOM 3953 C C . PHE A 1 512 ? 98.527 19.801 35.880 1.00 15.32 ? ? ? ? ? ? 512 PHE A C 1 -ATOM 3954 O O . PHE A 1 512 ? 97.669 18.922 35.777 1.00 15.35 ? ? ? ? ? ? 512 PHE A O 1 -ATOM 3955 C CB . PHE A 1 512 ? 97.747 21.484 34.286 1.00 11.35 ? ? ? ? ? ? 512 PHE A CB 1 -ATOM 3956 C CG . PHE A 1 512 ? 97.399 22.910 33.956 1.00 11.81 ? ? ? ? ? ? 512 PHE A CG 1 -ATOM 3957 C CD1 . PHE A 1 512 ? 97.228 23.864 34.955 1.00 8.77 ? ? ? ? ? ? 512 PHE A CD1 1 -ATOM 3958 C CD2 . PHE A 1 512 ? 97.264 23.306 32.624 1.00 10.94 ? ? ? ? ? ? 512 PHE A CD2 1 -ATOM 3959 C CE1 . PHE A 1 512 ? 96.930 25.177 34.630 1.00 8.38 ? ? ? ? ? ? 512 PHE A CE1 1 -ATOM 3960 C CE2 . PHE A 1 512 ? 96.968 24.615 32.304 1.00 9.89 ? ? ? ? ? ? 512 PHE A CE2 1 -ATOM 3961 C CZ . PHE A 1 512 ? 96.805 25.554 33.312 1.00 8.82 ? ? ? ? ? ? 512 PHE A CZ 1 -ATOM 3962 N N . TYR A 1 513 ? 99.811 19.546 36.119 1.00 15.99 ? ? ? ? ? ? 513 TYR A N 1 -ATOM 3963 C CA . TYR A 1 513 ? 100.321 18.183 36.255 1.00 14.66 ? ? ? ? ? ? 513 TYR A CA 1 -ATOM 3964 C C . TYR A 1 513 ? 99.544 17.288 37.214 1.00 15.18 ? ? ? ? ? ? 513 TYR A C 1 -ATOM 3965 O O . TYR A 1 513 ? 99.169 16.173 36.860 1.00 15.74 ? ? ? ? ? ? 513 TYR A O 1 -ATOM 3966 C CB . TYR A 1 513 ? 101.779 18.233 36.648 1.00 13.18 ? ? ? ? ? ? 513 TYR A CB 1 -ATOM 3967 C CG . TYR A 1 513 ? 102.434 16.894 36.695 1.00 12.10 ? ? ? ? ? ? 513 TYR A CG 1 -ATOM 3968 C CD1 . TYR A 1 513 ? 102.697 16.182 35.535 1.00 9.16 ? ? ? ? ? ? 513 TYR A CD1 1 -ATOM 3969 C CD2 . TYR A 1 513 ? 102.783 16.326 37.919 1.00 11.89 ? ? ? ? ? ? 513 TYR A CD2 1 -ATOM 3970 C CE1 . TYR A 1 513 ? 103.281 14.938 35.604 1.00 9.79 ? ? ? ? ? ? 513 TYR A CE1 1 -ATOM 3971 C CE2 . TYR A 1 513 ? 103.366 15.102 37.992 1.00 8.95 ? ? ? ? ? ? 513 TYR A CE2 1 -ATOM 3972 C CZ . TYR A 1 513 ? 103.612 14.403 36.846 1.00 9.18 ? ? ? ? ? ? 513 TYR A CZ 1 -ATOM 3973 O OH . TYR A 1 513 ? 104.170 13.147 36.968 1.00 10.57 ? ? ? ? ? ? 513 TYR A OH 1 -ATOM 3974 N N . GLY A 1 514 ? 99.262 17.786 38.411 1.00 15.88 ? ? ? ? ? ? 514 GLY A N 1 -ATOM 3975 C CA . GLY A 1 514 ? 98.527 16.987 39.375 1.00 16.02 ? ? ? ? ? ? 514 GLY A CA 1 -ATOM 3976 C C . GLY A 1 514 ? 97.046 16.810 39.094 1.00 16.54 ? ? ? ? ? ? 514 GLY A C 1 -ATOM 3977 O O . GLY A 1 514 ? 96.382 16.012 39.752 1.00 17.25 ? ? ? ? ? ? 514 GLY A O 1 -ATOM 3978 N N . ALA A 1 515 ? 96.505 17.554 38.137 1.00 16.56 ? ? ? ? ? ? 515 ALA A N 1 -ATOM 3979 C CA . ALA A 1 515 ? 95.090 17.423 37.826 1.00 15.26 ? ? ? ? ? ? 515 ALA A CA 1 -ATOM 3980 C C . ALA A 1 515 ? 94.917 16.273 36.869 1.00 16.07 ? ? ? ? ? ? 515 ALA A C 1 -ATOM 3981 O O . ALA A 1 515 ? 94.623 16.481 35.689 1.00 16.92 ? ? ? ? ? ? 515 ALA A O 1 -ATOM 3982 C CB . ALA A 1 515 ? 94.568 18.689 37.206 1.00 15.44 ? ? ? ? ? ? 515 ALA A CB 1 -ATOM 3983 N N . THR A 1 516 ? 95.144 15.057 37.346 1.00 15.48 ? ? ? ? ? ? 516 THR A N 1 -ATOM 3984 C CA . THR A 1 516 ? 94.985 13.906 36.471 1.00 16.44 ? ? ? ? ? ? 516 THR A CA 1 -ATOM 3985 C C . THR A 1 516 ? 93.504 13.605 36.219 1.00 17.24 ? ? ? ? ? ? 516 THR A C 1 -ATOM 3986 O O . THR A 1 516 ? 92.623 14.068 36.963 1.00 18.90 ? ? ? ? ? ? 516 THR A O 1 -ATOM 3987 C CB . THR A 1 516 ? 95.709 12.650 37.017 1.00 15.67 ? ? ? ? ? ? 516 THR A CB 1 -ATOM 3988 O OG1 . THR A 1 516 ? 95.297 12.382 38.362 1.00 16.43 ? ? ? ? ? ? 516 THR A OG1 1 -ATOM 3989 C CG2 . THR A 1 516 ? 97.201 12.849 36.982 1.00 15.57 ? ? ? ? ? ? 516 THR A CG2 1 -ATOM 3990 N N . TYR A 1 517 ? 93.236 12.890 35.126 1.00 17.02 ? ? ? ? ? ? 517 TYR A N 1 -ATOM 3991 C CA . TYR A 1 517 ? 91.882 12.495 34.748 1.00 16.34 ? ? ? ? ? ? 517 TYR A CA 1 -ATOM 3992 C C . TYR A 1 517 ? 91.282 11.708 35.923 1.00 18.59 ? ? ? ? ? ? 517 TYR A C 1 -ATOM 3993 O O . TYR A 1 517 ? 90.141 11.947 36.354 1.00 18.39 ? ? ? ? ? ? 517 TYR A O 1 -ATOM 3994 C CB . TYR A 1 517 ? 91.947 11.584 33.523 1.00 15.22 ? ? ? ? ? ? 517 TYR A CB 1 -ATOM 3995 C CG . TYR A 1 517 ? 91.558 12.232 32.231 1.00 13.63 ? ? ? ? ? ? 517 TYR A CG 1 -ATOM 3996 C CD1 . TYR A 1 517 ? 91.910 13.555 31.955 1.00 13.59 ? ? ? ? ? ? 517 TYR A CD1 1 -ATOM 3997 C CD2 . TYR A 1 517 ? 90.775 11.550 31.303 1.00 12.26 ? ? ? ? ? ? 517 TYR A CD2 1 -ATOM 3998 C CE1 . TYR A 1 517 ? 91.482 14.189 30.786 1.00 13.96 ? ? ? ? ? ? 517 TYR A CE1 1 -ATOM 3999 C CE2 . TYR A 1 517 ? 90.336 12.175 30.133 1.00 13.41 ? ? ? ? ? ? 517 TYR A CE2 1 -ATOM 4000 C CZ . TYR A 1 517 ? 90.695 13.498 29.883 1.00 13.90 ? ? ? ? ? ? 517 TYR A CZ 1 -ATOM 4001 O OH . TYR A 1 517 ? 90.272 14.116 28.731 1.00 14.01 ? ? ? ? ? ? 517 TYR A OH 1 -ATOM 4002 N N . GLU A 1 518 ? 92.087 10.798 36.467 1.00 18.96 ? ? ? ? ? ? 518 GLU A N 1 -ATOM 4003 C CA . GLU A 1 518 ? 91.657 9.975 37.578 1.00 19.55 ? ? ? ? ? ? 518 GLU A CA 1 -ATOM 4004 C C . GLU A 1 518 ? 91.217 10.858 38.720 1.00 17.55 ? ? ? ? ? ? 518 GLU A C 1 -ATOM 4005 O O . GLU A 1 518 ? 90.173 10.628 39.318 1.00 16.68 ? ? ? ? ? ? 518 GLU A O 1 -ATOM 4006 C CB . GLU A 1 518 ? 92.793 9.074 38.042 1.00 23.49 ? ? ? ? ? ? 518 GLU A CB 1 -ATOM 4007 C CG . GLU A 1 518 ? 92.360 8.031 39.071 1.00 31.08 ? ? ? ? ? ? 518 GLU A CG 1 -ATOM 4008 C CD . GLU A 1 518 ? 93.415 6.947 39.302 1.00 34.47 ? ? ? ? ? ? 518 GLU A CD 1 -ATOM 4009 O OE1 . GLU A 1 518 ? 93.857 6.322 38.303 1.00 35.85 ? ? ? ? ? ? 518 GLU A OE1 1 -ATOM 4010 O OE2 . GLU A 1 518 ? 93.801 6.731 40.482 1.00 36.66 ? ? ? ? ? ? 518 GLU A OE2 1 -ATOM 4011 N N . LYS A 1 519 ? 91.991 11.908 38.975 1.00 16.09 ? ? ? ? ? ? 519 LYS A N 1 -ATOM 4012 C CA . LYS A 1 519 ? 91.687 12.812 40.075 1.00 14.77 ? ? ? ? ? ? 519 LYS A CA 1 -ATOM 4013 C C . LYS A 1 519 ? 90.438 13.622 39.815 1.00 14.75 ? ? ? ? ? ? 519 LYS A C 1 -ATOM 4014 O O . LYS A 1 519 ? 89.543 13.665 40.658 1.00 15.59 ? ? ? ? ? ? 519 LYS A O 1 -ATOM 4015 C CB . LYS A 1 519 ? 92.883 13.724 40.405 1.00 13.08 ? ? ? ? ? ? 519 LYS A CB 1 -ATOM 4016 C CG . LYS A 1 519 ? 92.749 14.506 41.705 1.00 10.06 ? ? ? ? ? ? 519 LYS A CG 1 -ATOM 4017 C CD . LYS A 1 519 ? 93.924 15.444 41.922 1.00 10.62 ? ? ? ? ? ? 519 LYS A CD 1 -ATOM 4018 C CE . LYS A 1 519 ? 95.031 14.775 42.728 1.00 14.08 ? ? ? ? ? ? 519 LYS A CE 1 -ATOM 4019 N NZ . LYS A 1 519 ? 96.322 15.529 42.724 1.00 13.36 ? ? ? ? ? ? 519 LYS A NZ 1 -ATOM 4020 N N . MET A 1 520 ? 90.347 14.258 38.658 1.00 13.17 ? ? ? ? ? ? 520 MET A N 1 -ATOM 4021 C CA . MET A 1 520 ? 89.153 15.040 38.404 1.00 13.61 ? ? ? ? ? ? 520 MET A CA 1 -ATOM 4022 C C . MET A 1 520 ? 87.903 14.163 38.515 1.00 13.15 ? ? ? ? ? ? 520 MET A C 1 -ATOM 4023 O O . MET A 1 520 ? 86.856 14.634 38.932 1.00 13.56 ? ? ? ? ? ? 520 MET A O 1 -ATOM 4024 C CB . MET A 1 520 ? 89.224 15.718 37.039 1.00 13.91 ? ? ? ? ? ? 520 MET A CB 1 -ATOM 4025 C CG . MET A 1 520 ? 90.382 16.671 36.860 1.00 14.04 ? ? ? ? ? ? 520 MET A CG 1 -ATOM 4026 S SD . MET A 1 520 ? 90.390 17.358 35.192 1.00 16.26 ? ? ? ? ? ? 520 MET A SD 1 -ATOM 4027 C CE . MET A 1 520 ? 90.804 15.895 34.215 1.00 15.62 ? ? ? ? ? ? 520 MET A CE 1 -ATOM 4028 N N . GLY A 1 521 ? 88.037 12.890 38.149 1.00 13.79 ? ? ? ? ? ? 521 GLY A N 1 -ATOM 4029 C CA . GLY A 1 521 ? 86.941 11.938 38.201 1.00 13.70 ? ? ? ? ? ? 521 GLY A CA 1 -ATOM 4030 C C . GLY A 1 521 ? 85.612 12.369 37.603 1.00 14.25 ? ? ? ? ? ? 521 GLY A C 1 -ATOM 4031 O O . GLY A 1 521 ? 85.581 13.173 36.692 1.00 15.50 ? ? ? ? ? ? 521 GLY A O 1 -ATOM 4032 N N . GLU A 1 522 ? 84.514 11.819 38.117 1.00 15.48 ? ? ? ? ? ? 522 GLU A N 1 -ATOM 4033 C CA . GLU A 1 522 ? 83.181 12.155 37.643 1.00 16.68 ? ? ? ? ? ? 522 GLU A CA 1 -ATOM 4034 C C . GLU A 1 522 ? 82.629 13.385 38.340 1.00 17.00 ? ? ? ? ? ? 522 GLU A C 1 -ATOM 4035 O O . GLU A 1 522 ? 81.856 14.136 37.751 1.00 18.65 ? ? ? ? ? ? 522 GLU A O 1 -ATOM 4036 C CB . GLU A 1 522 ? 82.216 11.009 37.878 1.00 18.51 ? ? ? ? ? ? 522 GLU A CB 1 -ATOM 4037 C CG . GLU A 1 522 ? 82.659 9.678 37.294 1.00 23.33 ? ? ? ? ? ? 522 GLU A CG 1 -ATOM 4038 C CD . GLU A 1 522 ? 81.482 8.766 36.998 1.00 24.49 ? ? ? ? ? ? 522 GLU A CD 1 -ATOM 4039 O OE1 . GLU A 1 522 ? 80.489 8.802 37.762 1.00 26.47 ? ? ? ? ? ? 522 GLU A OE1 1 -ATOM 4040 O OE2 . GLU A 1 522 ? 81.538 8.045 35.986 1.00 25.78 ? ? ? ? ? ? 522 GLU A OE2 1 -ATOM 4041 N N . LEU A 1 523 ? 82.966 13.584 39.607 1.00 15.17 ? ? ? ? ? ? 523 LEU A N 1 -ATOM 4042 C CA . LEU A 1 523 ? 82.446 14.766 40.293 1.00 13.89 ? ? ? ? ? ? 523 LEU A CA 1 -ATOM 4043 C C . LEU A 1 523 ? 83.526 15.612 40.941 1.00 12.27 ? ? ? ? ? ? 523 LEU A C 1 -ATOM 4044 O O . LEU A 1 523 ? 83.234 16.427 41.811 1.00 11.80 ? ? ? ? ? ? 523 LEU A O 1 -ATOM 4045 C CB . LEU A 1 523 ? 81.429 14.363 41.345 1.00 13.55 ? ? ? ? ? ? 523 LEU A CB 1 -ATOM 4046 C CG . LEU A 1 523 ? 80.135 13.704 40.890 1.00 14.08 ? ? ? ? ? ? 523 LEU A CG 1 -ATOM 4047 C CD1 . LEU A 1 523 ? 79.465 13.123 42.127 1.00 14.84 ? ? ? ? ? ? 523 LEU A CD1 1 -ATOM 4048 C CD2 . LEU A 1 523 ? 79.231 14.709 40.183 1.00 13.16 ? ? ? ? ? ? 523 LEU A CD2 1 -ATOM 4049 N N . GLY A 1 524 ? 84.760 15.444 40.481 1.00 10.46 ? ? ? ? ? ? 524 GLY A N 1 -ATOM 4050 C CA . GLY A 1 524 ? 85.860 16.174 41.049 1.00 9.77 ? ? ? ? ? ? 524 GLY A CA 1 -ATOM 4051 C C . GLY A 1 524 ? 85.925 17.544 40.453 1.00 10.28 ? ? ? ? ? ? 524 GLY A C 1 -ATOM 4052 O O . GLY A 1 524 ? 85.581 17.702 39.299 1.00 9.83 ? ? ? ? ? ? 524 GLY A O 1 -ATOM 4053 N N . PHE A 1 525 ? 86.398 18.503 41.252 1.00 10.25 ? ? ? ? ? ? 525 PHE A N 1 -ATOM 4054 C CA . PHE A 1 525 ? 86.539 19.903 40.886 1.00 9.77 ? ? ? ? ? ? 525 PHE A CA 1 -ATOM 4055 C C . PHE A 1 525 ? 87.959 20.242 41.334 1.00 11.75 ? ? ? ? ? ? 525 PHE A C 1 -ATOM 4056 O O . PHE A 1 525 ? 88.195 20.505 42.520 1.00 13.73 ? ? ? ? ? ? 525 PHE A O 1 -ATOM 4057 C CB . PHE A 1 525 ? 85.545 20.724 41.701 1.00 7.13 ? ? ? ? ? ? 525 PHE A CB 1 -ATOM 4058 C CG . PHE A 1 525 ? 85.322 22.122 41.185 1.00 5.77 ? ? ? ? ? ? 525 PHE A CG 1 -ATOM 4059 C CD1 . PHE A 1 525 ? 84.367 22.368 40.209 1.00 2.41 ? ? ? ? ? ? 525 PHE A CD1 1 -ATOM 4060 C CD2 . PHE A 1 525 ? 86.000 23.202 41.739 1.00 4.71 ? ? ? ? ? ? 525 PHE A CD2 1 -ATOM 4061 C CE1 . PHE A 1 525 ? 84.088 23.655 39.803 1.00 2.88 ? ? ? ? ? ? 525 PHE A CE1 1 -ATOM 4062 C CE2 . PHE A 1 525 ? 85.721 24.506 41.332 1.00 2.68 ? ? ? ? ? ? 525 PHE A CE2 1 -ATOM 4063 C CZ . PHE A 1 525 ? 84.766 24.729 40.367 1.00 2.53 ? ? ? ? ? ? 525 PHE A CZ 1 -ATOM 4064 N N . ILE A 1 526 ? 88.909 20.210 40.406 1.00 11.63 ? ? ? ? ? ? 526 ILE A N 1 -ATOM 4065 C CA . ILE A 1 526 ? 90.297 20.477 40.759 1.00 11.82 ? ? ? ? ? ? 526 ILE A CA 1 -ATOM 4066 C C . ILE A 1 526 ? 90.797 21.806 40.229 1.00 13.75 ? ? ? ? ? ? 526 ILE A C 1 -ATOM 4067 O O . ILE A 1 526 ? 91.254 21.893 39.093 1.00 15.14 ? ? ? ? ? ? 526 ILE A O 1 -ATOM 4068 C CB . ILE A 1 526 ? 91.248 19.359 40.239 1.00 10.90 ? ? ? ? ? ? 526 ILE A CB 1 -ATOM 4069 C CG1 . ILE A 1 526 ? 90.747 17.961 40.649 1.00 8.25 ? ? ? ? ? ? 526 ILE A CG1 1 -ATOM 4070 C CG2 . ILE A 1 526 ? 92.658 19.602 40.760 1.00 9.85 ? ? ? ? ? ? 526 ILE A CG2 1 -ATOM 4071 C CD1 . ILE A 1 526 ? 90.872 17.628 42.136 1.00 4.74 ? ? ? ? ? ? 526 ILE A CD1 1 -ATOM 4072 N N . GLN A 1 527 ? 90.729 22.844 41.054 1.00 15.56 ? ? ? ? ? ? 527 GLN A N 1 -ATOM 4073 C CA . GLN A 1 527 ? 91.198 24.164 40.642 1.00 14.34 ? ? ? ? ? ? 527 GLN A CA 1 -ATOM 4074 C C . GLN A 1 527 ? 92.726 24.187 40.626 1.00 15.21 ? ? ? ? ? ? 527 GLN A C 1 -ATOM 4075 O O . GLN A 1 527 ? 93.358 23.886 41.646 1.00 14.90 ? ? ? ? ? ? 527 GLN A O 1 -ATOM 4076 C CB . GLN A 1 527 ? 90.766 25.225 41.649 1.00 12.67 ? ? ? ? ? ? 527 GLN A CB 1 -ATOM 4077 C CG . GLN A 1 527 ? 89.308 25.526 41.790 1.00 8.99 ? ? ? ? ? ? 527 GLN A CG 1 -ATOM 4078 C CD . GLN A 1 527 ? 89.035 26.094 43.165 1.00 9.11 ? ? ? ? ? ? 527 GLN A CD 1 -ATOM 4079 O OE1 . GLN A 1 527 ? 88.415 25.440 44.002 1.00 8.58 ? ? ? ? ? ? 527 GLN A OE1 1 -ATOM 4080 N NE2 . GLN A 1 527 ? 89.559 27.283 43.434 1.00 7.88 ? ? ? ? ? ? 527 GLN A NE2 1 -ATOM 4081 N N . TRP A 1 528 ? 93.310 24.574 39.498 1.00 14.48 ? ? ? ? ? ? 528 TRP A N 1 -ATOM 4082 C CA . TRP A 1 528 ? 94.753 24.690 39.404 1.00 15.40 ? ? ? ? ? ? 528 TRP A CA 1 -ATOM 4083 C C . TRP A 1 528 ? 95.197 25.901 40.252 1.00 17.30 ? ? ? ? ? ? 528 TRP A C 1 -ATOM 4084 O O . TRP A 1 528 ? 94.371 26.756 40.604 1.00 17.66 ? ? ? ? ? ? 528 TRP A O 1 -ATOM 4085 C CB . TRP A 1 528 ? 95.191 24.855 37.939 1.00 15.00 ? ? ? ? ? ? 528 TRP A CB 1 -ATOM 4086 C CG . TRP A 1 528 ? 94.631 26.049 37.200 1.00 15.93 ? ? ? ? ? ? 528 TRP A CG 1 -ATOM 4087 C CD1 . TRP A 1 528 ? 93.607 26.048 36.281 1.00 16.17 ? ? ? ? ? ? 528 TRP A CD1 1 -ATOM 4088 C CD2 . TRP A 1 528 ? 95.100 27.403 37.268 1.00 15.00 ? ? ? ? ? ? 528 TRP A CD2 1 -ATOM 4089 N NE1 . TRP A 1 528 ? 93.422 27.316 35.776 1.00 14.39 ? ? ? ? ? ? 528 TRP A NE1 1 -ATOM 4090 C CE2 . TRP A 1 528 ? 94.324 28.165 36.366 1.00 14.89 ? ? ? ? ? ? 528 TRP A CE2 1 -ATOM 4091 C CE3 . TRP A 1 528 ? 96.104 28.048 38.003 1.00 14.39 ? ? ? ? ? ? 528 TRP A CE3 1 -ATOM 4092 C CZ2 . TRP A 1 528 ? 94.522 29.538 36.182 1.00 14.48 ? ? ? ? ? ? 528 TRP A CZ2 1 -ATOM 4093 C CZ3 . TRP A 1 528 ? 96.298 29.420 37.815 1.00 14.04 ? ? ? ? ? ? 528 TRP A CZ3 1 -ATOM 4094 C CH2 . TRP A 1 528 ? 95.511 30.144 36.914 1.00 12.46 ? ? ? ? ? ? 528 TRP A CH2 1 -ATOM 4095 N N . PRO A 1 529 ? 96.485 25.957 40.657 1.00 18.63 ? ? ? ? ? ? 529 PRO A N 1 -ATOM 4096 C CA . PRO A 1 529 ? 97.554 24.985 40.388 1.00 17.54 ? ? ? ? ? ? 529 PRO A CA 1 -ATOM 4097 C C . PRO A 1 529 ? 97.325 23.677 41.129 1.00 17.00 ? ? ? ? ? ? 529 PRO A C 1 -ATOM 4098 O O . PRO A 1 529 ? 96.783 23.649 42.236 1.00 16.83 ? ? ? ? ? ? 529 PRO A O 1 -ATOM 4099 C CB . PRO A 1 529 ? 98.810 25.675 40.948 1.00 18.01 ? ? ? ? ? ? 529 PRO A CB 1 -ATOM 4100 C CG . PRO A 1 529 ? 98.442 27.149 41.006 1.00 18.94 ? ? ? ? ? ? 529 PRO A CG 1 -ATOM 4101 C CD . PRO A 1 529 ? 97.008 27.094 41.446 1.00 18.86 ? ? ? ? ? ? 529 PRO A CD 1 -ATOM 4102 N N . CYS A 1 530 ? 97.710 22.592 40.485 1.00 15.99 ? ? ? ? ? ? 530 CYS A N 1 -ATOM 4103 C CA . CYS A 1 530 ? 97.630 21.272 41.065 1.00 16.26 ? ? ? ? ? ? 530 CYS A CA 1 -ATOM 4104 C C . CYS A 1 530 ? 98.882 20.704 40.442 1.00 17.38 ? ? ? ? ? ? 530 CYS A C 1 -ATOM 4105 O O . CYS A 1 530 ? 98.935 20.432 39.234 1.00 17.73 ? ? ? ? ? ? 530 CYS A O 1 -ATOM 4106 C CB . CYS A 1 530 ? 96.394 20.515 40.603 1.00 15.12 ? ? ? ? ? ? 530 CYS A CB 1 -ATOM 4107 S SG . CYS A 1 530 ? 96.239 18.926 41.421 1.00 14.37 ? ? ? ? ? ? 530 CYS A SG 1 -ATOM 4108 N N . ARG A 1 531 ? 99.923 20.647 41.255 1.00 17.70 ? ? ? ? ? ? 531 ARG A N 1 -ATOM 4109 C CA . ARG A 1 531 ? 101.221 20.197 40.807 1.00 19.17 ? ? ? ? ? ? 531 ARG A CA 1 -ATOM 4110 C C . ARG A 1 531 ? 101.518 18.717 40.978 1.00 21.72 ? ? ? ? ? ? 531 ARG A C 1 -ATOM 4111 O O . ARG A 1 531 ? 101.998 18.056 40.046 1.00 23.02 ? ? ? ? ? ? 531 ARG A O 1 -ATOM 4112 C CB . ARG A 1 531 ? 102.293 21.053 41.476 1.00 16.72 ? ? ? ? ? ? 531 ARG A CB 1 -ATOM 4113 C CG . ARG A 1 531 ? 102.166 22.503 41.084 1.00 17.73 ? ? ? ? ? ? 531 ARG A CG 1 -ATOM 4114 C CD . ARG A 1 531 ? 103.185 23.394 41.736 1.00 18.45 ? ? ? ? ? ? 531 ARG A CD 1 -ATOM 4115 N NE . ARG A 1 531 ? 103.740 24.300 40.748 1.00 21.17 ? ? ? ? ? ? 531 ARG A NE 1 -ATOM 4116 C CZ . ARG A 1 531 ? 104.866 24.064 40.084 1.00 23.54 ? ? ? ? ? ? 531 ARG A CZ 1 -ATOM 4117 N NH1 . ARG A 1 531 ? 105.550 22.948 40.325 1.00 24.32 ? ? ? ? ? ? 531 ARG A NH1 1 -ATOM 4118 N NH2 . ARG A 1 531 ? 105.284 24.912 39.143 1.00 25.59 ? ? ? ? ? ? 531 ARG A NH2 1 -ATOM 4119 N N . ASP A 1 532 ? 101.212 18.177 42.146 1.00 22.86 ? ? ? ? ? ? 532 ASP A N 1 -ATOM 4120 C CA . ASP A 1 532 ? 101.500 16.780 42.379 1.00 25.73 ? ? ? ? ? ? 532 ASP A CA 1 -ATOM 4121 C C . ASP A 1 532 ? 100.335 15.874 42.061 1.00 25.47 ? ? ? ? ? ? 532 ASP A C 1 -ATOM 4122 O O . ASP A 1 532 ? 99.210 16.156 42.435 1.00 23.94 ? ? ? ? ? ? 532 ASP A O 1 -ATOM 4123 C CB . ASP A 1 532 ? 101.923 16.569 43.827 1.00 29.18 ? ? ? ? ? ? 532 ASP A CB 1 -ATOM 4124 C CG . ASP A 1 532 ? 102.996 17.548 44.274 1.00 32.28 ? ? ? ? ? ? 532 ASP A CG 1 -ATOM 4125 O OD1 . ASP A 1 532 ? 103.829 17.962 43.422 1.00 32.66 ? ? ? ? ? ? 532 ASP A OD1 1 -ATOM 4126 O OD2 . ASP A 1 532 ? 102.997 17.898 45.486 1.00 34.17 ? ? ? ? ? ? 532 ASP A OD2 1 -ATOM 4127 N N . THR A 1 533 ? 100.618 14.771 41.381 1.00 26.78 ? ? ? ? ? ? 533 THR A N 1 -ATOM 4128 C CA . THR A 1 533 ? 99.579 13.806 41.062 1.00 28.26 ? ? ? ? ? ? 533 THR A CA 1 -ATOM 4129 C C . THR A 1 533 ? 99.018 13.210 42.363 1.00 28.67 ? ? ? ? ? ? 533 THR A C 1 -ATOM 4130 O O . THR A 1 533 ? 97.878 12.711 42.406 1.00 28.57 ? ? ? ? ? ? 533 THR A O 1 -ATOM 4131 C CB . THR A 1 533 ? 100.113 12.737 40.117 1.00 27.70 ? ? ? ? ? ? 533 THR A CB 1 -ATOM 4132 O OG1 . THR A 1 533 ? 100.368 13.335 38.839 1.00 27.49 ? ? ? ? ? ? 533 THR A OG1 1 -ATOM 4133 C CG2 . THR A 1 533 ? 99.083 11.655 39.912 1.00 32.14 ? ? ? ? ? ? 533 THR A CG2 1 -ATOM 4134 N N . SER A 1 534 ? 99.826 13.302 43.422 1.00 29.18 ? ? ? ? ? ? 534 SER A N 1 -ATOM 4135 C CA . SER A 1 534 ? 99.465 12.848 44.764 1.00 29.57 ? ? ? ? ? ? 534 SER A CA 1 -ATOM 4136 C C . SER A 1 534 ? 98.041 13.272 45.131 1.00 30.47 ? ? ? ? ? ? 534 SER A C 1 -ATOM 4137 O O . SER A 1 534 ? 97.707 14.459 45.101 1.00 30.96 ? ? ? ? ? ? 534 SER A O 1 -ATOM 4138 C CB . SER A 1 534 ? 100.433 13.469 45.777 1.00 29.36 ? ? ? ? ? ? 534 SER A CB 1 -ATOM 4139 O OG . SER A 1 534 ? 99.877 13.498 47.088 1.00 29.66 ? ? ? ? ? ? 534 SER A OG 1 -ATOM 4140 N N . ASP A 1 535 ? 97.220 12.320 45.552 1.00 31.63 ? ? ? ? ? ? 535 ASP A N 1 -ATOM 4141 C CA . ASP A 1 535 ? 95.854 12.667 45.923 1.00 32.41 ? ? ? ? ? ? 535 ASP A CA 1 -ATOM 4142 C C . ASP A 1 535 ? 95.736 13.576 47.144 1.00 30.68 ? ? ? ? ? ? 535 ASP A C 1 -ATOM 4143 O O . ASP A 1 535 ? 94.645 13.965 47.527 1.00 29.87 ? ? ? ? ? ? 535 ASP A O 1 -ATOM 4144 C CB . ASP A 1 535 ? 94.949 11.429 46.021 1.00 33.95 ? ? ? ? ? ? 535 ASP A CB 1 -ATOM 4145 C CG . ASP A 1 535 ? 93.916 11.380 44.883 1.00 35.97 ? ? ? ? ? ? 535 ASP A CG 1 -ATOM 4146 O OD1 . ASP A 1 535 ? 93.123 12.340 44.755 1.00 35.90 ? ? ? ? ? ? 535 ASP A OD1 1 -ATOM 4147 O OD2 . ASP A 1 535 ? 93.912 10.410 44.094 1.00 36.89 ? ? ? ? ? ? 535 ASP A OD2 1 -ATOM 4148 N N . ALA A 1 536 ? 96.861 13.942 47.736 1.00 29.45 ? ? ? ? ? ? 536 ALA A N 1 -ATOM 4149 C CA . ALA A 1 536 ? 96.840 14.850 48.869 1.00 29.44 ? ? ? ? ? ? 536 ALA A CA 1 -ATOM 4150 C C . ALA A 1 536 ? 96.767 16.257 48.311 1.00 29.47 ? ? ? ? ? ? 536 ALA A C 1 -ATOM 4151 O O . ALA A 1 536 ? 96.458 17.203 49.026 1.00 31.17 ? ? ? ? ? ? 536 ALA A O 1 -ATOM 4152 C CB . ALA A 1 536 ? 98.099 14.710 49.664 1.00 30.27 ? ? ? ? ? ? 536 ALA A CB 1 -ATOM 4153 N N . ASP A 1 537 ? 97.101 16.383 47.035 1.00 28.39 ? ? ? ? ? ? 537 ASP A N 1 -ATOM 4154 C CA . ASP A 1 537 ? 97.113 17.654 46.334 1.00 27.39 ? ? ? ? ? ? 537 ASP A CA 1 -ATOM 4155 C C . ASP A 1 537 ? 95.763 17.804 45.621 1.00 27.24 ? ? ? ? ? ? 537 ASP A C 1 -ATOM 4156 O O . ASP A 1 537 ? 95.624 17.509 44.428 1.00 27.92 ? ? ? ? ? ? 537 ASP A O 1 -ATOM 4157 C CB . ASP A 1 537 ? 98.272 17.637 45.323 1.00 28.21 ? ? ? ? ? ? 537 ASP A CB 1 -ATOM 4158 C CG . ASP A 1 537 ? 98.567 18.997 44.719 1.00 27.57 ? ? ? ? ? ? 537 ASP A CG 1 -ATOM 4159 O OD1 . ASP A 1 537 ? 97.626 19.728 44.353 1.00 28.95 ? ? ? ? ? ? 537 ASP A OD1 1 -ATOM 4160 O OD2 . ASP A 1 537 ? 99.765 19.321 44.582 1.00 28.94 ? ? ? ? ? ? 537 ASP A OD2 1 -ATOM 4161 N N . GLN A 1 538 ? 94.764 18.285 46.343 1.00 25.04 ? ? ? ? ? ? 538 GLN A N 1 -ATOM 4162 C CA . GLN A 1 538 ? 93.458 18.449 45.735 1.00 22.65 ? ? ? ? ? ? 538 GLN A CA 1 -ATOM 4163 C C . GLN A 1 538 ? 93.243 19.744 44.942 1.00 21.09 ? ? ? ? ? ? 538 GLN A C 1 -ATOM 4164 O O . GLN A 1 538 ? 92.200 19.925 44.341 1.00 20.61 ? ? ? ? ? ? 538 GLN A O 1 -ATOM 4165 C CB . GLN A 1 538 ? 92.368 18.231 46.784 1.00 22.04 ? ? ? ? ? ? 538 GLN A CB 1 -ATOM 4166 C CG . GLN A 1 538 ? 92.194 16.773 47.155 1.00 21.97 ? ? ? ? ? ? 538 GLN A CG 1 -ATOM 4167 C CD . GLN A 1 538 ? 92.044 15.877 45.922 1.00 24.51 ? ? ? ? ? ? 538 GLN A CD 1 -ATOM 4168 O OE1 . GLN A 1 538 ? 91.584 16.323 44.870 1.00 28.00 ? ? ? ? ? ? 538 GLN A OE1 1 -ATOM 4169 N NE2 . GLN A 1 538 ? 92.458 14.624 46.040 1.00 22.57 ? ? ? ? ? ? 538 GLN A NE2 1 -ATOM 4170 N N . GLY A 1 539 ? 94.240 20.621 44.903 1.00 19.93 ? ? ? ? ? ? 539 GLY A N 1 -ATOM 4171 C CA . GLY A 1 539 ? 94.086 21.865 44.165 1.00 20.02 ? ? ? ? ? ? 539 GLY A CA 1 -ATOM 4172 C C . GLY A 1 539 ? 94.165 23.143 45.001 1.00 19.09 ? ? ? ? ? ? 539 GLY A C 1 -ATOM 4173 O O . GLY A 1 539 ? 94.103 23.109 46.236 1.00 20.09 ? ? ? ? ? ? 539 GLY A O 1 -ATOM 4174 N N . THR A 1 540 ? 94.207 24.285 44.327 1.00 17.24 ? ? ? ? ? ? 540 THR A N 1 -ATOM 4175 C CA . THR A 1 540 ? 94.342 25.565 44.998 1.00 16.59 ? ? ? ? ? ? 540 THR A CA 1 -ATOM 4176 C C . THR A 1 540 ? 93.017 26.316 45.064 1.00 17.15 ? ? ? ? ? ? 540 THR A C 1 -ATOM 4177 O O . THR A 1 540 ? 92.432 26.659 44.038 1.00 17.47 ? ? ? ? ? ? 540 THR A O 1 -ATOM 4178 C CB . THR A 1 540 ? 95.428 26.374 44.278 1.00 17.10 ? ? ? ? ? ? 540 THR A CB 1 -ATOM 4179 O OG1 . THR A 1 540 ? 96.670 25.667 44.364 1.00 18.79 ? ? ? ? ? ? 540 THR A OG1 1 -ATOM 4180 C CG2 . THR A 1 540 ? 95.610 27.723 44.878 1.00 19.58 ? ? ? ? ? ? 540 THR A CG2 1 -ATOM 4181 N N . SER A 1 541 ? 92.541 26.574 46.281 1.00 17.43 ? ? ? ? ? ? 541 SER A N 1 -ATOM 4182 C CA . SER A 1 541 ? 91.267 27.262 46.480 1.00 17.43 ? ? ? ? ? ? 541 SER A CA 1 -ATOM 4183 C C . SER A 1 541 ? 91.303 28.770 46.335 1.00 18.63 ? ? ? ? ? ? 541 SER A C 1 -ATOM 4184 O O . SER A 1 541 ? 90.328 29.372 45.879 1.00 20.66 ? ? ? ? ? ? 541 SER A O 1 -ATOM 4185 C CB . SER A 1 541 ? 90.680 26.943 47.836 1.00 15.38 ? ? ? ? ? ? 541 SER A CB 1 -ATOM 4186 O OG . SER A 1 541 ? 89.413 27.556 47.958 1.00 15.48 ? ? ? ? ? ? 541 SER A OG 1 -ATOM 4187 N N . TYR A 1 542 ? 92.342 29.397 46.858 1.00 17.46 ? ? ? ? ? ? 542 TYR A N 1 -ATOM 4188 C CA . TYR A 1 542 ? 92.451 30.836 46.737 1.00 17.99 ? ? ? ? ? ? 542 TYR A CA 1 -ATOM 4189 C C . TYR A 1 542 ? 93.917 31.119 46.470 1.00 19.49 ? ? ? ? ? ? 542 TYR A C 1 -ATOM 4190 O O . TYR A 1 542 ? 94.794 30.287 46.780 1.00 20.69 ? ? ? ? ? ? 542 TYR A O 1 -ATOM 4191 C CB . TYR A 1 542 ? 91.918 31.573 47.977 1.00 16.60 ? ? ? ? ? ? 542 TYR A CB 1 -ATOM 4192 C CG . TYR A 1 542 ? 92.720 31.419 49.257 1.00 17.14 ? ? ? ? ? ? 542 TYR A CG 1 -ATOM 4193 C CD1 . TYR A 1 542 ? 93.810 32.231 49.509 1.00 16.36 ? ? ? ? ? ? 542 TYR A CD1 1 -ATOM 4194 C CD2 . TYR A 1 542 ? 92.383 30.469 50.217 1.00 18.21 ? ? ? ? ? ? 542 TYR A CD2 1 -ATOM 4195 C CE1 . TYR A 1 542 ? 94.549 32.112 50.665 1.00 15.22 ? ? ? ? ? ? 542 TYR A CE1 1 -ATOM 4196 C CE2 . TYR A 1 542 ? 93.125 30.340 51.384 1.00 17.49 ? ? ? ? ? ? 542 TYR A CE2 1 -ATOM 4197 C CZ . TYR A 1 542 ? 94.213 31.172 51.592 1.00 17.18 ? ? ? ? ? ? 542 TYR A CZ 1 -ATOM 4198 O OH . TYR A 1 542 ? 94.996 31.047 52.713 1.00 19.01 ? ? ? ? ? ? 542 TYR A OH 1 -ATOM 4199 N N . LEU A 1 543 ? 94.187 32.259 45.845 1.00 17.92 ? ? ? ? ? ? 543 LEU A N 1 -ATOM 4200 C CA . LEU A 1 543 ? 95.542 32.604 45.503 1.00 15.81 ? ? ? ? ? ? 543 LEU A CA 1 -ATOM 4201 C C . LEU A 1 543 ? 96.157 33.628 46.428 1.00 15.56 ? ? ? ? ? ? 543 LEU A C 1 -ATOM 4202 O O . LEU A 1 543 ? 95.533 34.124 47.365 1.00 13.22 ? ? ? ? ? ? 543 LEU A O 1 -ATOM 4203 C CB . LEU A 1 543 ? 95.605 33.114 44.058 1.00 14.60 ? ? ? ? ? ? 543 LEU A CB 1 -ATOM 4204 C CG . LEU A 1 543 ? 95.051 32.205 42.950 1.00 13.25 ? ? ? ? ? ? 543 LEU A CG 1 -ATOM 4205 C CD1 . LEU A 1 543 ? 95.254 32.859 41.577 1.00 10.93 ? ? ? ? ? ? 543 LEU A CD1 1 -ATOM 4206 C CD2 . LEU A 1 543 ? 95.714 30.827 42.999 1.00 10.03 ? ? ? ? ? ? 543 LEU A CD2 1 -ATOM 4207 N N . PHE A 1 544 ? 97.435 33.868 46.182 1.00 16.37 ? ? ? ? ? ? 544 PHE A N 1 -ATOM 4208 C CA . PHE A 1 544 ? 98.206 34.858 46.908 1.00 15.87 ? ? ? ? ? ? 544 PHE A CA 1 -ATOM 4209 C C . PHE A 1 544 ? 98.218 34.685 48.414 1.00 17.91 ? ? ? ? ? ? 544 PHE A C 1 -ATOM 4210 O O . PHE A 1 544 ? 98.154 35.666 49.145 1.00 18.31 ? ? ? ? ? ? 544 PHE A O 1 -ATOM 4211 C CB . PHE A 1 544 ? 97.716 36.262 46.536 1.00 12.58 ? ? ? ? ? ? 544 PHE A CB 1 -ATOM 4212 C CG . PHE A 1 544 ? 97.231 36.386 45.110 1.00 8.78 ? ? ? ? ? ? 544 PHE A CG 1 -ATOM 4213 C CD1 . PHE A 1 544 ? 98.009 35.950 44.053 1.00 8.58 ? ? ? ? ? ? 544 PHE A CD1 1 -ATOM 4214 C CD2 . PHE A 1 544 ? 95.997 36.951 44.837 1.00 9.04 ? ? ? ? ? ? 544 PHE A CD2 1 -ATOM 4215 C CE1 . PHE A 1 544 ? 97.573 36.066 42.754 1.00 7.35 ? ? ? ? ? ? 544 PHE A CE1 1 -ATOM 4216 C CE2 . PHE A 1 544 ? 95.545 37.077 43.535 1.00 8.09 ? ? ? ? ? ? 544 PHE A CE2 1 -ATOM 4217 C CZ . PHE A 1 544 ? 96.339 36.635 42.494 1.00 9.18 ? ? ? ? ? ? 544 PHE A CZ 1 -ATOM 4218 N N . LYS A 1 545 ? 98.326 33.439 48.876 1.00 21.09 ? ? ? ? ? ? 545 LYS A N 1 -ATOM 4219 C CA . LYS A 1 545 ? 98.391 33.162 50.317 1.00 22.28 ? ? ? ? ? ? 545 LYS A CA 1 -ATOM 4220 C C . LYS A 1 545 ? 99.741 33.574 50.927 1.00 22.04 ? ? ? ? ? ? 545 LYS A C 1 -ATOM 4221 O O . LYS A 1 545 ? 99.796 34.113 52.031 1.00 20.58 ? ? ? ? ? ? 545 LYS A O 1 -ATOM 4222 C CB . LYS A 1 545 ? 98.133 31.684 50.622 1.00 22.60 ? ? ? ? ? ? 545 LYS A CB 1 -ATOM 4223 C CG . LYS A 1 545 ? 97.863 31.450 52.109 1.00 23.46 ? ? ? ? ? ? 545 LYS A CG 1 -ATOM 4224 C CD . LYS A 1 545 ? 97.881 30.002 52.484 1.00 25.21 ? ? ? ? ? ? 545 LYS A CD 1 -ATOM 4225 C CE . LYS A 1 545 ? 98.001 29.877 53.985 1.00 28.98 ? ? ? ? ? ? 545 LYS A CE 1 -ATOM 4226 N NZ . LYS A 1 545 ? 98.562 28.543 54.422 1.00 33.36 ? ? ? ? ? ? 545 LYS A NZ 1 -ATOM 4227 N N . GLU A 1 546 ? 100.828 33.305 50.215 1.00 23.83 ? ? ? ? ? ? 546 GLU A N 1 -ATOM 4228 C CA . GLU A 1 546 ? 102.154 33.666 50.716 1.00 26.14 ? ? ? ? ? ? 546 GLU A CA 1 -ATOM 4229 C C . GLU A 1 546 ? 102.744 34.881 49.986 1.00 25.26 ? ? ? ? ? ? 546 GLU A C 1 -ATOM 4230 O O . GLU A 1 546 ? 103.180 35.841 50.617 1.00 25.23 ? ? ? ? ? ? 546 GLU A O 1 -ATOM 4231 C CB . GLU A 1 546 ? 103.092 32.456 50.670 1.00 29.12 ? ? ? ? ? ? 546 GLU A CB 1 -ATOM 4232 C CG . GLU A 1 546 ? 102.651 31.281 51.589 1.00 33.84 ? ? ? ? ? ? 546 GLU A CG 1 -ATOM 4233 C CD . GLU A 1 546 ? 102.768 31.596 53.091 1.00 36.84 ? ? ? ? ? ? 546 GLU A CD 1 -ATOM 4234 O OE1 . GLU A 1 546 ? 103.897 31.881 53.561 1.00 39.16 ? ? ? ? ? ? 546 GLU A OE1 1 -ATOM 4235 O OE2 . GLU A 1 546 ? 101.740 31.539 53.807 1.00 38.95 ? ? ? ? ? ? 546 GLU A OE2 1 -ATOM 4236 N N . LYS A 1 547 ? 102.738 34.856 48.662 1.00 24.49 ? ? ? ? ? ? 547 LYS A N 1 -ATOM 4237 C CA . LYS A 1 547 ? 103.243 35.989 47.909 1.00 24.59 ? ? ? ? ? ? 547 LYS A CA 1 -ATOM 4238 C C . LYS A 1 547 ? 102.239 36.303 46.805 1.00 23.54 ? ? ? ? ? ? 547 LYS A C 1 -ATOM 4239 O O . LYS A 1 547 ? 101.279 35.561 46.634 1.00 22.83 ? ? ? ? ? ? 547 LYS A O 1 -ATOM 4240 C CB . LYS A 1 547 ? 104.643 35.719 47.349 1.00 26.55 ? ? ? ? ? ? 547 LYS A CB 1 -ATOM 4241 C CG . LYS A 1 547 ? 104.717 34.667 46.264 1.00 29.20 ? ? ? ? ? ? 547 LYS A CG 1 -ATOM 4242 C CD . LYS A 1 547 ? 106.154 34.480 45.785 1.00 31.07 ? ? ? ? ? ? 547 LYS A CD 1 -ATOM 4243 C CE . LYS A 1 547 ? 106.199 33.518 44.603 1.00 32.92 ? ? ? ? ? ? 547 LYS A CE 1 -ATOM 4244 N NZ . LYS A 1 547 ? 105.236 33.939 43.524 1.00 34.06 ? ? ? ? ? ? 547 LYS A NZ 1 -ATOM 4245 N N . PHE A 1 548 ? 102.475 37.380 46.052 1.00 22.27 ? ? ? ? ? ? 548 PHE A N 1 -ATOM 4246 C CA . PHE A 1 548 ? 101.561 37.813 45.004 1.00 20.69 ? ? ? ? ? ? 548 PHE A CA 1 -ATOM 4247 C C . PHE A 1 548 ? 101.836 37.445 43.547 1.00 22.03 ? ? ? ? ? ? 548 PHE A C 1 -ATOM 4248 O O . PHE A 1 548 ? 101.165 37.971 42.665 1.00 24.44 ? ? ? ? ? ? 548 PHE A O 1 -ATOM 4249 C CB . PHE A 1 548 ? 101.352 39.326 45.081 1.00 17.79 ? ? ? ? ? ? 548 PHE A CB 1 -ATOM 4250 C CG . PHE A 1 548 ? 100.208 39.751 45.964 1.00 18.14 ? ? ? ? ? ? 548 PHE A CG 1 -ATOM 4251 C CD1 . PHE A 1 548 ? 98.945 39.209 45.815 1.00 16.39 ? ? ? ? ? ? 548 PHE A CD1 1 -ATOM 4252 C CD2 . PHE A 1 548 ? 100.395 40.708 46.956 1.00 17.97 ? ? ? ? ? ? 548 PHE A CD2 1 -ATOM 4253 C CE1 . PHE A 1 548 ? 97.888 39.611 46.645 1.00 15.32 ? ? ? ? ? ? 548 PHE A CE1 1 -ATOM 4254 C CE2 . PHE A 1 548 ? 99.338 41.105 47.778 1.00 16.20 ? ? ? ? ? ? 548 PHE A CE2 1 -ATOM 4255 C CZ . PHE A 1 548 ? 98.088 40.554 47.620 1.00 14.35 ? ? ? ? ? ? 548 PHE A CZ 1 -ATOM 4256 N N . ASP A 1 549 ? 102.813 36.602 43.245 1.00 20.72 ? ? ? ? ? ? 549 ASP A N 1 -ATOM 4257 C CA . ASP A 1 549 ? 103.036 36.272 41.830 1.00 21.70 ? ? ? ? ? ? 549 ASP A CA 1 -ATOM 4258 C C . ASP A 1 549 ? 103.521 37.424 40.933 1.00 22.29 ? ? ? ? ? ? 549 ASP A C 1 -ATOM 4259 O O . ASP A 1 549 ? 103.677 37.243 39.716 1.00 21.99 ? ? ? ? ? ? 549 ASP A O 1 -ATOM 4260 C CB . ASP A 1 549 ? 101.771 35.697 41.197 1.00 21.26 ? ? ? ? ? ? 549 ASP A CB 1 -ATOM 4261 C CG . ASP A 1 549 ? 101.313 34.438 41.858 1.00 22.63 ? ? ? ? ? ? 549 ASP A CG 1 -ATOM 4262 O OD1 . ASP A 1 549 ? 101.826 34.095 42.953 1.00 20.84 ? ? ? ? ? ? 549 ASP A OD1 1 -ATOM 4263 O OD2 . ASP A 1 549 ? 100.425 33.788 41.265 1.00 25.27 ? ? ? ? ? ? 549 ASP A OD2 1 -ATOM 4264 N N . THR A 1 550 ? 103.652 38.623 41.496 1.00 21.83 ? ? ? ? ? ? 550 THR A N 1 -ATOM 4265 C CA . THR A 1 550 ? 104.170 39.752 40.734 1.00 20.40 ? ? ? ? ? ? 550 THR A CA 1 -ATOM 4266 C C . THR A 1 550 ? 105.673 39.461 40.687 1.00 21.06 ? ? ? ? ? ? 550 THR A C 1 -ATOM 4267 O O . THR A 1 550 ? 106.166 38.599 41.440 1.00 20.83 ? ? ? ? ? ? 550 THR A O 1 -ATOM 4268 C CB . THR A 1 550 ? 103.864 41.087 41.430 1.00 19.33 ? ? ? ? ? ? 550 THR A CB 1 -ATOM 4269 O OG1 . THR A 1 550 ? 104.047 40.945 42.845 1.00 19.02 ? ? ? ? ? ? 550 THR A OG1 1 -ATOM 4270 C CG2 . THR A 1 550 ? 102.437 41.522 41.134 1.00 15.56 ? ? ? ? ? ? 550 THR A CG2 1 -ATOM 4271 N N . PRO A 1 551 ? 106.422 40.137 39.809 1.00 21.28 ? ? ? ? ? ? 551 PRO A N 1 -ATOM 4272 C CA . PRO A 1 551 ? 107.862 39.851 39.752 1.00 22.10 ? ? ? ? ? ? 551 PRO A CA 1 -ATOM 4273 C C . PRO A 1 551 ? 108.574 39.937 41.082 1.00 22.04 ? ? ? ? ? ? 551 PRO A C 1 -ATOM 4274 O O . PRO A 1 551 ? 109.501 39.184 41.328 1.00 23.96 ? ? ? ? ? ? 551 PRO A O 1 -ATOM 4275 C CB . PRO A 1 551 ? 108.392 40.866 38.742 1.00 22.42 ? ? ? ? ? ? 551 PRO A CB 1 -ATOM 4276 C CG . PRO A 1 551 ? 107.314 41.962 38.730 1.00 24.48 ? ? ? ? ? ? 551 PRO A CG 1 -ATOM 4277 C CD . PRO A 1 551 ? 106.045 41.179 38.845 1.00 21.99 ? ? ? ? ? ? 551 PRO A CD 1 -ATOM 4278 N N . ASN A 1 552 ? 108.084 40.797 41.964 1.00 21.90 ? ? ? ? ? ? 552 ASN A N 1 -ATOM 4279 C CA . ASN A 1 552 ? 108.686 40.970 43.273 1.00 21.38 ? ? ? ? ? ? 552 ASN A CA 1 -ATOM 4280 C C . ASN A 1 552 ? 107.745 40.707 44.460 1.00 21.70 ? ? ? ? ? ? 552 ASN A C 1 -ATOM 4281 O O . ASN A 1 552 ? 107.947 41.262 45.533 1.00 23.16 ? ? ? ? ? ? 552 ASN A O 1 -ATOM 4282 C CB . ASN A 1 552 ? 109.293 42.370 43.382 1.00 22.16 ? ? ? ? ? ? 552 ASN A CB 1 -ATOM 4283 C CG . ASN A 1 552 ? 108.247 43.446 43.501 1.00 22.09 ? ? ? ? ? ? 552 ASN A CG 1 -ATOM 4284 O OD1 . ASN A 1 552 ? 107.304 43.510 42.708 1.00 23.05 ? ? ? ? ? ? 552 ASN A OD1 1 -ATOM 4285 N ND2 . ASN A 1 552 ? 108.403 44.302 44.493 1.00 23.52 ? ? ? ? ? ? 552 ASN A ND2 1 -ATOM 4286 N N . GLY A 1 553 ? 106.669 39.952 44.238 1.00 20.65 ? ? ? ? ? ? 553 GLY A N 1 -ATOM 4287 C CA . GLY A 1 553 ? 105.759 39.588 45.309 1.00 17.99 ? ? ? ? ? ? 553 GLY A CA 1 -ATOM 4288 C C . GLY A 1 553 ? 104.801 40.559 45.958 1.00 18.37 ? ? ? ? ? ? 553 GLY A C 1 -ATOM 4289 O O . GLY A 1 553 ? 104.041 40.165 46.845 1.00 17.45 ? ? ? ? ? ? 553 GLY A O 1 -ATOM 4290 N N . LEU A 1 554 ? 104.810 41.819 45.559 1.00 19.48 ? ? ? ? ? ? 554 LEU A N 1 -ATOM 4291 C CA . LEU A 1 554 ? 103.870 42.781 46.160 1.00 19.46 ? ? ? ? ? ? 554 LEU A CA 1 -ATOM 4292 C C . LEU A 1 554 ? 102.731 43.086 45.186 1.00 18.87 ? ? ? ? ? ? 554 LEU A C 1 -ATOM 4293 O O . LEU A 1 554 ? 102.920 43.002 43.972 1.00 19.74 ? ? ? ? ? ? 554 LEU A O 1 -ATOM 4294 C CB . LEU A 1 554 ? 104.595 44.094 46.482 1.00 18.07 ? ? ? ? ? ? 554 LEU A CB 1 -ATOM 4295 C CG . LEU A 1 554 ? 105.944 44.013 47.197 1.00 16.98 ? ? ? ? ? ? 554 LEU A CG 1 -ATOM 4296 C CD1 . LEU A 1 554 ? 106.512 45.399 47.398 1.00 17.17 ? ? ? ? ? ? 554 LEU A CD1 1 -ATOM 4297 C CD2 . LEU A 1 554 ? 105.769 43.328 48.521 1.00 17.13 ? ? ? ? ? ? 554 LEU A CD2 1 -ATOM 4298 N N . ALA A 1 555 ? 101.539 43.371 45.684 1.00 18.39 ? ? ? ? ? ? 555 ALA A N 1 -ATOM 4299 C CA . ALA A 1 555 ? 100.458 43.742 44.778 1.00 19.08 ? ? ? ? ? ? 555 ALA A CA 1 -ATOM 4300 C C . ALA A 1 555 ? 100.831 45.170 44.367 1.00 21.92 ? ? ? ? ? ? 555 ALA A C 1 -ATOM 4301 O O . ALA A 1 555 ? 101.543 45.867 45.121 1.00 23.78 ? ? ? ? ? ? 555 ALA A O 1 -ATOM 4302 C CB . ALA A 1 555 ? 99.160 43.749 45.494 1.00 18.32 ? ? ? ? ? ? 555 ALA A CB 1 -ATOM 4303 N N . GLN A 1 556 ? 100.400 45.603 43.181 1.00 21.89 ? ? ? ? ? ? 556 GLN A N 1 -ATOM 4304 C CA . GLN A 1 556 ? 100.706 46.948 42.702 1.00 20.51 ? ? ? ? ? ? 556 GLN A CA 1 -ATOM 4305 C C . GLN A 1 556 ? 99.478 47.838 42.663 1.00 20.14 ? ? ? ? ? ? 556 GLN A C 1 -ATOM 4306 O O . GLN A 1 556 ? 98.600 47.656 41.821 1.00 20.71 ? ? ? ? ? ? 556 GLN A O 1 -ATOM 4307 C CB . GLN A 1 556 ? 101.350 46.885 41.326 1.00 21.16 ? ? ? ? ? ? 556 GLN A CB 1 -ATOM 4308 C CG . GLN A 1 556 ? 102.874 47.084 41.331 1.00 25.44 ? ? ? ? ? ? 556 GLN A CG 1 -ATOM 4309 C CD . GLN A 1 556 ? 103.678 45.985 42.077 1.00 27.25 ? ? ? ? ? ? 556 GLN A CD 1 -ATOM 4310 O OE1 . GLN A 1 556 ? 104.789 46.239 42.555 1.00 25.75 ? ? ? ? ? ? 556 GLN A OE1 1 -ATOM 4311 N NE2 . GLN A 1 556 ? 103.137 44.774 42.140 1.00 25.38 ? ? ? ? ? ? 556 GLN A NE2 1 -ATOM 4312 N N . PHE A 1 557 ? 99.412 48.790 43.589 1.00 19.27 ? ? ? ? ? ? 557 PHE A N 1 -ATOM 4313 C CA . PHE A 1 557 ? 98.297 49.738 43.690 1.00 18.73 ? ? ? ? ? ? 557 PHE A CA 1 -ATOM 4314 C C . PHE A 1 557 ? 98.114 50.536 42.401 1.00 18.75 ? ? ? ? ? ? 557 PHE A C 1 -ATOM 4315 O O . PHE A 1 557 ? 99.097 50.910 41.769 1.00 19.61 ? ? ? ? ? ? 557 PHE A O 1 -ATOM 4316 C CB . PHE A 1 557 ? 98.585 50.727 44.809 1.00 17.53 ? ? ? ? ? ? 557 PHE A CB 1 -ATOM 4317 C CG . PHE A 1 557 ? 97.712 50.565 46.018 1.00 18.84 ? ? ? ? ? ? 557 PHE A CG 1 -ATOM 4318 C CD1 . PHE A 1 557 ? 96.390 51.021 46.006 1.00 18.81 ? ? ? ? ? ? 557 PHE A CD1 1 -ATOM 4319 C CD2 . PHE A 1 557 ? 98.228 50.029 47.198 1.00 17.10 ? ? ? ? ? ? 557 PHE A CD2 1 -ATOM 4320 C CE1 . PHE A 1 557 ? 95.602 50.954 47.156 1.00 18.93 ? ? ? ? ? ? 557 PHE A CE1 1 -ATOM 4321 C CE2 . PHE A 1 557 ? 97.446 49.959 48.344 1.00 18.66 ? ? ? ? ? ? 557 PHE A CE2 1 -ATOM 4322 C CZ . PHE A 1 557 ? 96.127 50.426 48.325 1.00 17.09 ? ? ? ? ? ? 557 PHE A CZ 1 -ATOM 4323 N N . PHE A 1 558 ? 96.873 50.871 42.050 1.00 19.16 ? ? ? ? ? ? 558 PHE A N 1 -ATOM 4324 C CA . PHE A 1 558 ? 96.634 51.642 40.833 1.00 18.43 ? ? ? ? ? ? 558 PHE A CA 1 -ATOM 4325 C C . PHE A 1 558 ? 95.247 52.233 40.557 1.00 18.69 ? ? ? ? ? ? 558 PHE A C 1 -ATOM 4326 O O . PHE A 1 558 ? 94.233 51.647 40.885 1.00 19.13 ? ? ? ? ? ? 558 PHE A O 1 -ATOM 4327 C CB . PHE A 1 558 ? 97.069 50.816 39.621 1.00 18.26 ? ? ? ? ? ? 558 PHE A CB 1 -ATOM 4328 C CG . PHE A 1 558 ? 96.833 51.499 38.312 1.00 19.11 ? ? ? ? ? ? 558 PHE A CG 1 -ATOM 4329 C CD1 . PHE A 1 558 ? 97.771 52.387 37.802 1.00 18.46 ? ? ? ? ? ? 558 PHE A CD1 1 -ATOM 4330 C CD2 . PHE A 1 558 ? 95.651 51.278 37.602 1.00 19.54 ? ? ? ? ? ? 558 PHE A CD2 1 -ATOM 4331 C CE1 . PHE A 1 558 ? 97.536 53.050 36.609 1.00 19.34 ? ? ? ? ? ? 558 PHE A CE1 1 -ATOM 4332 C CE2 . PHE A 1 558 ? 95.398 51.928 36.409 1.00 20.34 ? ? ? ? ? ? 558 PHE A CE2 1 -ATOM 4333 C CZ . PHE A 1 558 ? 96.345 52.823 35.905 1.00 20.99 ? ? ? ? ? ? 558 PHE A CZ 1 -ATOM 4334 N N . THR A 1 559 ? 95.249 53.426 39.971 1.00 21.22 ? ? ? ? ? ? 559 THR A N 1 -ATOM 4335 C CA . THR A 1 559 ? 94.065 54.160 39.495 1.00 24.03 ? ? ? ? ? ? 559 THR A CA 1 -ATOM 4336 C C . THR A 1 559 ? 94.510 55.224 38.505 1.00 24.88 ? ? ? ? ? ? 559 THR A C 1 -ATOM 4337 O O . THR A 1 559 ? 95.699 55.409 38.242 1.00 24.88 ? ? ? ? ? ? 559 THR A O 1 -ATOM 4338 C CB . THR A 1 559 ? 93.204 54.917 40.560 1.00 24.71 ? ? ? ? ? ? 559 THR A CB 1 -ATOM 4339 O OG1 . THR A 1 559 ? 94.020 55.562 41.552 1.00 25.75 ? ? ? ? ? ? 559 THR A OG1 1 -ATOM 4340 C CG2 . THR A 1 559 ? 92.170 54.026 41.136 1.00 24.80 ? ? ? ? ? ? 559 THR A CG2 1 -ATOM 4341 N N . CYS A 1 560 ? 93.532 55.967 38.016 1.00 26.27 ? ? ? ? ? ? 560 CYS A N 1 -ATOM 4342 C CA . CYS A 1 560 ? 93.765 57.034 37.073 1.00 27.43 ? ? ? ? ? ? 560 CYS A CA 1 -ATOM 4343 C C . CYS A 1 560 ? 92.536 57.913 37.167 1.00 27.70 ? ? ? ? ? ? 560 CYS A C 1 -ATOM 4344 O O . CYS A 1 560 ? 91.717 57.747 38.077 1.00 27.21 ? ? ? ? ? ? 560 CYS A O 1 -ATOM 4345 C CB . CYS A 1 560 ? 93.925 56.466 35.664 1.00 26.93 ? ? ? ? ? ? 560 CYS A CB 1 -ATOM 4346 S SG . CYS A 1 560 ? 92.521 55.536 35.077 1.00 29.10 ? ? ? ? ? ? 560 CYS A SG 1 -ATOM 4347 N N . ASP A 1 561 ? 92.432 58.879 36.269 1.00 28.58 ? ? ? ? ? ? 561 ASP A N 1 -ATOM 4348 C CA . ASP A 1 561 ? 91.279 59.758 36.270 1.00 29.48 ? ? ? ? ? ? 561 ASP A CA 1 -ATOM 4349 C C . ASP A 1 561 ? 90.162 59.164 35.421 1.00 29.81 ? ? ? ? ? ? 561 ASP A C 1 -ATOM 4350 O O . ASP A 1 561 ? 90.402 58.458 34.418 1.00 28.00 ? ? ? ? ? ? 561 ASP A O 1 -ATOM 4351 C CB . ASP A 1 561 ? 91.653 61.150 35.761 1.00 30.47 ? ? ? ? ? ? 561 ASP A CB 1 -ATOM 4352 C CG . ASP A 1 561 ? 92.504 61.917 36.749 1.00 32.23 ? ? ? ? ? ? 561 ASP A CG 1 -ATOM 4353 O OD1 . ASP A 1 561 ? 92.017 62.178 37.882 1.00 31.40 ? ? ? ? ? ? 561 ASP A OD1 1 -ATOM 4354 O OD2 . ASP A 1 561 ? 93.659 62.262 36.385 1.00 33.69 ? ? ? ? ? ? 561 ASP A OD2 1 -ATOM 4355 N N . TRP A 1 562 ? 88.937 59.393 35.872 1.00 29.46 ? ? ? ? ? ? 562 TRP A N 1 -ATOM 4356 C CA . TRP A 1 562 ? 87.786 58.896 35.153 1.00 29.70 ? ? ? ? ? ? 562 TRP A CA 1 -ATOM 4357 C C . TRP A 1 562 ? 87.795 59.515 33.745 1.00 29.34 ? ? ? ? ? ? 562 TRP A C 1 -ATOM 4358 O O . TRP A 1 562 ? 88.401 60.558 33.517 1.00 28.68 ? ? ? ? ? ? 562 TRP A O 1 -ATOM 4359 C CB . TRP A 1 562 ? 86.509 59.287 35.913 1.00 30.30 ? ? ? ? ? ? 562 TRP A CB 1 -ATOM 4360 C CG . TRP A 1 562 ? 85.273 58.993 35.144 1.00 31.58 ? ? ? ? ? ? 562 TRP A CG 1 -ATOM 4361 C CD1 . TRP A 1 562 ? 84.750 57.758 34.882 1.00 32.22 ? ? ? ? ? ? 562 TRP A CD1 1 -ATOM 4362 C CD2 . TRP A 1 562 ? 84.462 59.932 34.420 1.00 32.00 ? ? ? ? ? ? 562 TRP A CD2 1 -ATOM 4363 N NE1 . TRP A 1 562 ? 83.680 57.869 34.022 1.00 30.90 ? ? ? ? ? ? 562 TRP A NE1 1 -ATOM 4364 C CE2 . TRP A 1 562 ? 83.478 59.189 33.725 1.00 31.51 ? ? ? ? ? ? 562 TRP A CE2 1 -ATOM 4365 C CE3 . TRP A 1 562 ? 84.477 61.326 34.285 1.00 31.66 ? ? ? ? ? ? 562 TRP A CE3 1 -ATOM 4366 C CZ2 . TRP A 1 562 ? 82.520 59.791 32.907 1.00 31.20 ? ? ? ? ? ? 562 TRP A CZ2 1 -ATOM 4367 C CZ3 . TRP A 1 562 ? 83.522 61.926 33.467 1.00 31.84 ? ? ? ? ? ? 562 TRP A CZ3 1 -ATOM 4368 C CH2 . TRP A 1 562 ? 82.558 61.156 32.790 1.00 31.86 ? ? ? ? ? ? 562 TRP A CH2 1 -ATOM 4369 N N . VAL A 1 563 ? 87.205 58.820 32.787 1.00 28.99 ? ? ? ? ? ? 563 VAL A N 1 -ATOM 4370 C CA . VAL A 1 563 ? 87.084 59.331 31.430 1.00 29.01 ? ? ? ? ? ? 563 VAL A CA 1 -ATOM 4371 C C . VAL A 1 563 ? 85.785 58.711 30.932 1.00 30.65 ? ? ? ? ? ? 563 VAL A C 1 -ATOM 4372 O O . VAL A 1 563 ? 85.542 57.512 31.098 1.00 30.57 ? ? ? ? ? ? 563 VAL A O 1 -ATOM 4373 C CB . VAL A 1 563 ? 88.262 58.920 30.486 1.00 28.75 ? ? ? ? ? ? 563 VAL A CB 1 -ATOM 4374 C CG1 . VAL A 1 563 ? 88.034 59.473 29.082 1.00 26.35 ? ? ? ? ? ? 563 VAL A CG1 1 -ATOM 4375 C CG2 . VAL A 1 563 ? 89.588 59.419 31.019 1.00 26.11 ? ? ? ? ? ? 563 VAL A CG2 1 -ATOM 4376 N N . ALA A 1 564 ? 84.921 59.550 30.385 1.00 32.03 ? ? ? ? ? ? 564 ALA A N 1 -ATOM 4377 C CA . ALA A 1 564 ? 83.646 59.095 29.881 1.00 33.84 ? ? ? ? ? ? 564 ALA A CA 1 -ATOM 4378 C C . ALA A 1 564 ? 83.783 58.197 28.662 1.00 36.09 ? ? ? ? ? ? 564 ALA A C 1 -ATOM 4379 O O . ALA A 1 564 ? 84.808 58.210 27.973 1.00 35.93 ? ? ? ? ? ? 564 ALA A O 1 -ATOM 4380 C CB . ALA A 1 564 ? 82.787 60.278 29.553 1.00 34.67 ? ? ? ? ? ? 564 ALA A CB 1 -ATOM 4381 N N . PRO A 1 565 ? 82.764 57.355 28.409 1.00 38.25 ? ? ? ? ? ? 565 PRO A N 1 -ATOM 4382 C CA . PRO A 1 565 ? 82.833 56.475 27.246 1.00 40.20 ? ? ? ? ? ? 565 PRO A CA 1 -ATOM 4383 C C . PRO A 1 565 ? 82.941 57.359 26.009 1.00 42.68 ? ? ? ? ? ? 565 PRO A C 1 -ATOM 4384 O O . PRO A 1 565 ? 82.661 58.565 26.068 1.00 42.93 ? ? ? ? ? ? 565 PRO A O 1 -ATOM 4385 C CB . PRO A 1 565 ? 81.492 55.747 27.300 1.00 39.62 ? ? ? ? ? ? 565 PRO A CB 1 -ATOM 4386 C CG . PRO A 1 565 ? 81.186 55.720 28.770 1.00 38.73 ? ? ? ? ? ? 565 PRO A CG 1 -ATOM 4387 C CD . PRO A 1 565 ? 81.532 57.108 29.181 1.00 37.60 ? ? ? ? ? ? 565 PRO A CD 1 -ATOM 4388 N N . ILE A 1 566 ? 83.241 56.737 24.878 1.00 45.26 ? ? ? ? ? ? 566 ILE A N 1 -ATOM 4389 C CA . ILE A 1 566 ? 83.431 57.464 23.632 1.00 48.31 ? ? ? ? ? ? 566 ILE A CA 1 -ATOM 4390 C C . ILE A 1 566 ? 82.312 58.350 23.089 1.00 51.27 ? ? ? ? ? ? 566 ILE A C 1 -ATOM 4391 O O . ILE A 1 566 ? 82.429 59.571 23.160 1.00 53.11 ? ? ? ? ? ? 566 ILE A O 1 -ATOM 4392 C CB . ILE A 1 566 ? 83.991 56.530 22.575 1.00 47.45 ? ? ? ? ? ? 566 ILE A CB 1 -ATOM 4393 C CG1 . ILE A 1 566 ? 85.370 56.061 23.059 1.00 45.84 ? ? ? ? ? ? 566 ILE A CG1 1 -ATOM 4394 C CG2 . ILE A 1 566 ? 84.030 57.221 21.215 1.00 47.87 ? ? ? ? ? ? 566 ILE A CG2 1 -ATOM 4395 C CD1 . ILE A 1 566 ? 85.999 55.043 22.226 1.00 45.47 ? ? ? ? ? ? 566 ILE A CD1 1 -ATOM 4396 N N . ASP A 1 567 ? 81.248 57.757 22.548 1.00 53.60 ? ? ? ? ? ? 567 ASP A N 1 -ATOM 4397 C CA . ASP A 1 567 ? 80.119 58.518 21.986 1.00 56.21 ? ? ? ? ? ? 567 ASP A CA 1 -ATOM 4398 C C . ASP A 1 567 ? 79.575 59.571 22.969 1.00 58.46 ? ? ? ? ? ? 567 ASP A C 1 -ATOM 4399 O O . ASP A 1 567 ? 79.857 59.498 24.162 1.00 58.89 ? ? ? ? ? ? 567 ASP A O 1 -ATOM 4400 C CB . ASP A 1 567 ? 78.989 57.548 21.611 1.00 56.04 ? ? ? ? ? ? 567 ASP A CB 1 -ATOM 4401 C CG . ASP A 1 567 ? 79.468 56.356 20.772 1.00 56.42 ? ? ? ? ? ? 567 ASP A CG 1 -ATOM 4402 O OD1 . ASP A 1 567 ? 80.615 56.361 20.275 1.00 57.03 ? ? ? ? ? ? 567 ASP A OD1 1 -ATOM 4403 O OD2 . ASP A 1 567 ? 78.686 55.397 20.610 1.00 55.42 ? ? ? ? ? ? 567 ASP A OD2 1 -ATOM 4404 N N . LYS A 1 568 ? 78.812 60.554 22.488 1.00 60.98 ? ? ? ? ? ? 568 LYS A N 1 -ATOM 4405 C CA . LYS A 1 568 ? 78.250 61.541 23.413 1.00 64.18 ? ? ? ? ? ? 568 LYS A CA 1 -ATOM 4406 C C . LYS A 1 568 ? 76.744 61.729 23.269 1.00 65.15 ? ? ? ? ? ? 568 LYS A C 1 -ATOM 4407 O O . LYS A 1 568 ? 76.235 62.001 22.177 1.00 65.66 ? ? ? ? ? ? 568 LYS A O 1 -ATOM 4408 C CB . LYS A 1 568 ? 78.933 62.918 23.319 1.00 66.33 ? ? ? ? ? ? 568 LYS A CB 1 -ATOM 4409 C CG . LYS A 1 568 ? 78.261 63.972 24.263 1.00 67.62 ? ? ? ? ? ? 568 LYS A CG 1 -ATOM 4410 C CD . LYS A 1 568 ? 78.377 65.418 23.781 1.00 67.05 ? ? ? ? ? ? 568 LYS A CD 1 -ATOM 4411 C CE . LYS A 1 568 ? 79.777 65.949 23.969 1.00 67.33 ? ? ? ? ? ? 568 LYS A CE 1 -ATOM 4412 N NZ . LYS A 1 568 ? 79.896 67.351 23.483 1.00 67.77 ? ? ? ? ? ? 568 LYS A NZ 1 -ATOM 4413 N N . LEU A 1 569 ? 76.043 61.628 24.392 1.00 65.90 ? ? ? ? ? ? 569 LEU A N 1 -ATOM 4414 C CA . LEU A 1 569 ? 74.606 61.807 24.402 1.00 66.47 ? ? ? ? ? ? 569 LEU A CA 1 -ATOM 4415 C C . LEU A 1 569 ? 74.313 63.228 23.955 1.00 67.13 ? ? ? ? ? ? 569 LEU A C 1 -ATOM 4416 O O . LEU A 1 569 ? 74.732 64.194 24.607 1.00 67.78 ? ? ? ? ? ? 569 LEU A O 1 -ATOM 4417 C CB . LEU A 1 569 ? 74.044 61.589 25.806 1.00 65.79 ? ? ? ? ? ? 569 LEU A CB 1 -ATOM 4418 C CG . LEU A 1 569 ? 74.395 60.255 26.443 1.00 65.16 ? ? ? ? ? ? 569 LEU A CG 1 -ATOM 4419 C CD1 . LEU A 1 569 ? 73.645 60.139 27.749 1.00 65.25 ? ? ? ? ? ? 569 LEU A CD1 1 -ATOM 4420 C CD2 . LEU A 1 569 ? 74.051 59.108 25.496 1.00 65.25 ? ? ? ? ? ? 569 LEU A CD2 1 -ATOM 4421 N N . THR A 1 570 ? 73.672 63.346 22.798 1.00 67.09 ? ? ? ? ? ? 570 THR A N 1 -ATOM 4422 C CA . THR A 1 570 ? 73.307 64.649 22.262 1.00 67.04 ? ? ? ? ? ? 570 THR A CA 1 -ATOM 4423 C C . THR A 1 570 ? 71.925 65.053 22.828 1.00 67.84 ? ? ? ? ? ? 570 THR A C 1 -ATOM 4424 O O . THR A 1 570 ? 71.534 64.606 23.915 1.00 67.25 ? ? ? ? ? ? 570 THR A O 1 -ATOM 4425 C CB . THR A 1 570 ? 73.284 64.604 20.711 1.00 65.46 ? ? ? ? ? ? 570 THR A CB 1 -ATOM 4426 O OG1 . THR A 1 570 ? 72.106 63.929 20.266 1.00 63.32 ? ? ? ? ? ? 570 THR A OG1 1 -ATOM 4427 C CG2 . THR A 1 570 ? 74.504 63.850 20.180 1.00 63.81 ? ? ? ? ? ? 570 THR A CG2 1 -ATOM 4428 N N . ASP A 1 571 ? 71.214 65.935 22.125 1.00 68.51 ? ? ? ? ? ? 571 ASP A N 1 -ATOM 4429 C CA . ASP A 1 571 ? 69.875 66.332 22.551 1.00 69.20 ? ? ? ? ? ? 571 ASP A CA 1 -ATOM 4430 C C . ASP A 1 571 ? 68.898 65.402 21.823 1.00 69.67 ? ? ? ? ? ? 571 ASP A C 1 -ATOM 4431 O O . ASP A 1 571 ? 67.732 65.256 22.211 1.00 70.69 ? ? ? ? ? ? 571 ASP A O 1 -ATOM 4432 C CB . ASP A 1 571 ? 69.593 67.798 22.196 1.00 69.60 ? ? ? ? ? ? 571 ASP A CB 1 -ATOM 4433 C CG . ASP A 1 571 ? 69.364 68.017 20.710 1.00 69.58 ? ? ? ? ? ? 571 ASP A CG 1 -ATOM 4434 O OD1 . ASP A 1 571 ? 70.359 68.074 19.955 1.00 68.24 ? ? ? ? ? ? 571 ASP A OD1 1 -ATOM 4435 O OD2 . ASP A 1 571 ? 68.182 68.142 20.307 1.00 70.11 ? ? ? ? ? ? 571 ASP A OD2 1 -ATOM 4436 N N . GLU A 1 572 ? 69.398 64.784 20.755 1.00 68.92 ? ? ? ? ? ? 572 GLU A N 1 -ATOM 4437 C CA . GLU A 1 572 ? 68.622 63.856 19.950 1.00 68.05 ? ? ? ? ? ? 572 GLU A CA 1 -ATOM 4438 C C . GLU A 1 572 ? 68.717 62.425 20.483 1.00 67.00 ? ? ? ? ? ? 572 GLU A C 1 -ATOM 4439 O O . GLU A 1 572 ? 67.766 61.650 20.391 1.00 68.15 ? ? ? ? ? ? 572 GLU A O 1 -ATOM 4440 C CB . GLU A 1 572 ? 69.140 63.871 18.516 1.00 69.17 ? ? ? ? ? ? 572 GLU A CB 1 -ATOM 4441 C CG . GLU A 1 572 ? 68.667 65.038 17.699 1.00 74.00 ? ? ? ? ? ? 572 GLU A CG 1 -ATOM 4442 C CD . GLU A 1 572 ? 67.148 65.042 17.514 1.00 76.30 ? ? ? ? ? ? 572 GLU A CD 1 -ATOM 4443 O OE1 . GLU A 1 572 ? 66.601 64.058 16.947 1.00 75.58 ? ? ? ? ? ? 572 GLU A OE1 1 -ATOM 4444 O OE2 . GLU A 1 572 ? 66.509 66.037 17.939 1.00 77.57 ? ? ? ? ? ? 572 GLU A OE2 1 -ATOM 4445 N N . TYR A 1 573 ? 69.865 62.073 21.054 1.00 63.94 ? ? ? ? ? ? 573 TYR A N 1 -ATOM 4446 C CA . TYR A 1 573 ? 70.070 60.720 21.535 1.00 59.77 ? ? ? ? ? ? 573 TYR A CA 1 -ATOM 4447 C C . TYR A 1 573 ? 70.524 60.718 22.967 1.00 58.18 ? ? ? ? ? ? 573 TYR A C 1 -ATOM 4448 O O . TYR A 1 573 ? 71.576 60.171 23.277 1.00 58.30 ? ? ? ? ? ? 573 TYR A O 1 -ATOM 4449 C CB . TYR A 1 573 ? 71.127 60.007 20.675 1.00 59.09 ? ? ? ? ? ? 573 TYR A CB 1 -ATOM 4450 C CG . TYR A 1 573 ? 71.186 60.528 19.267 1.00 59.10 ? ? ? ? ? ? 573 TYR A CG 1 -ATOM 4451 C CD1 . TYR A 1 573 ? 70.153 60.282 18.377 1.00 59.17 ? ? ? ? ? ? 573 TYR A CD1 1 -ATOM 4452 C CD2 . TYR A 1 573 ? 72.188 61.408 18.877 1.00 60.50 ? ? ? ? ? ? 573 TYR A CD2 1 -ATOM 4453 C CE1 . TYR A 1 573 ? 70.098 60.909 17.144 1.00 59.76 ? ? ? ? ? ? 573 TYR A CE1 1 -ATOM 4454 C CE2 . TYR A 1 573 ? 72.144 62.050 17.642 1.00 60.81 ? ? ? ? ? ? 573 TYR A CE2 1 -ATOM 4455 C CZ . TYR A 1 573 ? 71.087 61.798 16.784 1.00 60.58 ? ? ? ? ? ? 573 TYR A CZ 1 -ATOM 4456 O OH . TYR A 1 573 ? 70.987 62.480 15.592 1.00 61.59 ? ? ? ? ? ? 573 TYR A OH 1 -ATOM 4457 N N . PRO A 1 574 ? 69.759 61.346 23.872 1.00 56.67 ? ? ? ? ? ? 574 PRO A N 1 -ATOM 4458 C CA . PRO A 1 574 ? 70.240 61.306 25.261 1.00 55.57 ? ? ? ? ? ? 574 PRO A CA 1 -ATOM 4459 C C . PRO A 1 574 ? 70.262 59.856 25.762 1.00 54.21 ? ? ? ? ? ? 574 PRO A C 1 -ATOM 4460 O O . PRO A 1 574 ? 70.726 59.563 26.870 1.00 53.36 ? ? ? ? ? ? 574 PRO A O 1 -ATOM 4461 C CB . PRO A 1 574 ? 69.215 62.175 26.011 1.00 55.72 ? ? ? ? ? ? 574 PRO A CB 1 -ATOM 4462 C CG . PRO A 1 574 ? 67.975 62.100 25.151 1.00 55.38 ? ? ? ? ? ? 574 PRO A CG 1 -ATOM 4463 C CD . PRO A 1 574 ? 68.533 62.155 23.752 1.00 55.81 ? ? ? ? ? ? 574 PRO A CD 1 -ATOM 4464 N N . MET A 1 575 ? 69.767 58.962 24.906 1.00 52.66 ? ? ? ? ? ? 575 MET A N 1 -ATOM 4465 C CA . MET A 1 575 ? 69.686 57.541 25.178 1.00 51.43 ? ? ? ? ? ? 575 MET A CA 1 -ATOM 4466 C C . MET A 1 575 ? 70.995 56.754 25.113 1.00 50.15 ? ? ? ? ? ? 575 MET A C 1 -ATOM 4467 O O . MET A 1 575 ? 71.717 56.790 24.115 1.00 51.44 ? ? ? ? ? ? 575 MET A O 1 -ATOM 4468 C CB . MET A 1 575 ? 68.629 56.912 24.271 1.00 50.76 ? ? ? ? ? ? 575 MET A CB 1 -ATOM 4469 C CG . MET A 1 575 ? 67.238 57.098 24.820 1.00 50.69 ? ? ? ? ? ? 575 MET A CG 1 -ATOM 4470 S SD . MET A 1 575 ? 67.238 56.561 26.545 1.00 50.46 ? ? ? ? ? ? 575 MET A SD 1 -ATOM 4471 C CE . MET A 1 575 ? 65.627 57.130 27.108 1.00 52.30 ? ? ? ? ? ? 575 MET A CE 1 -ATOM 4472 N N . VAL A 1 576 ? 71.285 56.042 26.197 1.00 47.35 ? ? ? ? ? ? 576 VAL A N 1 -ATOM 4473 C CA . VAL A 1 576 ? 72.480 55.218 26.308 1.00 45.04 ? ? ? ? ? ? 576 VAL A CA 1 -ATOM 4474 C C . VAL A 1 576 ? 72.089 53.756 26.063 1.00 42.89 ? ? ? ? ? ? 576 VAL A C 1 -ATOM 4475 O O . VAL A 1 576 ? 71.238 53.228 26.772 1.00 43.65 ? ? ? ? ? ? 576 VAL A O 1 -ATOM 4476 C CB . VAL A 1 576 ? 73.078 55.298 27.760 1.00 45.71 ? ? ? ? ? ? 576 VAL A CB 1 -ATOM 4477 C CG1 . VAL A 1 576 ? 74.246 54.325 27.923 1.00 44.30 ? ? ? ? ? ? 576 VAL A CG1 1 -ATOM 4478 C CG2 . VAL A 1 576 ? 73.514 56.711 28.096 1.00 44.58 ? ? ? ? ? ? 576 VAL A CG2 1 -ATOM 4479 N N . LEU A 1 577 ? 72.637 53.114 25.039 1.00 39.73 ? ? ? ? ? ? 577 LEU A N 1 -ATOM 4480 C CA . LEU A 1 577 ? 72.330 51.701 24.838 1.00 36.81 ? ? ? ? ? ? 577 LEU A CA 1 -ATOM 4481 C C . LEU A 1 577 ? 73.403 50.932 25.594 1.00 34.94 ? ? ? ? ? ? 577 LEU A C 1 -ATOM 4482 O O . LEU A 1 577 ? 74.602 51.172 25.414 1.00 35.10 ? ? ? ? ? ? 577 LEU A O 1 -ATOM 4483 C CB . LEU A 1 577 ? 72.363 51.294 23.355 1.00 36.40 ? ? ? ? ? ? 577 LEU A CB 1 -ATOM 4484 C CG . LEU A 1 577 ? 72.329 49.772 23.079 1.00 36.55 ? ? ? ? ? ? 577 LEU A CG 1 -ATOM 4485 C CD1 . LEU A 1 577 ? 70.963 49.211 23.439 1.00 37.81 ? ? ? ? ? ? 577 LEU A CD1 1 -ATOM 4486 C CD2 . LEU A 1 577 ? 72.678 49.420 21.629 1.00 34.20 ? ? ? ? ? ? 577 LEU A CD2 1 -ATOM 4487 N N . SER A 1 578 ? 72.988 50.056 26.487 1.00 32.61 ? ? ? ? ? ? 578 SER A N 1 -ATOM 4488 C CA . SER A 1 578 ? 73.955 49.262 27.218 1.00 31.91 ? ? ? ? ? ? 578 SER A CA 1 -ATOM 4489 C C . SER A 1 578 ? 73.573 47.822 26.942 1.00 31.19 ? ? ? ? ? ? 578 SER A C 1 -ATOM 4490 O O . SER A 1 578 ? 72.508 47.363 27.362 1.00 30.06 ? ? ? ? ? ? 578 SER A O 1 -ATOM 4491 C CB . SER A 1 578 ? 73.887 49.592 28.705 1.00 31.84 ? ? ? ? ? ? 578 SER A CB 1 -ATOM 4492 O OG . SER A 1 578 ? 74.759 48.785 29.465 1.00 32.21 ? ? ? ? ? ? 578 SER A OG 1 -ATOM 4493 N N . THR A 1 579 ? 74.366 47.151 26.114 1.00 31.35 ? ? ? ? ? ? 579 THR A N 1 -ATOM 4494 C CA . THR A 1 579 ? 74.061 45.773 25.784 1.00 31.33 ? ? ? ? ? ? 579 THR A CA 1 -ATOM 4495 C C . THR A 1 579 ? 74.479 44.839 26.902 1.00 32.45 ? ? ? ? ? ? 579 THR A C 1 -ATOM 4496 O O . THR A 1 579 ? 75.535 44.992 27.523 1.00 31.96 ? ? ? ? ? ? 579 THR A O 1 -ATOM 4497 C CB . THR A 1 579 ? 74.638 45.329 24.443 1.00 29.78 ? ? ? ? ? ? 579 THR A CB 1 -ATOM 4498 O OG1 . THR A 1 579 ? 76.059 45.163 24.542 1.00 30.20 ? ? ? ? ? ? 579 THR A OG1 1 -ATOM 4499 C CG2 . THR A 1 579 ? 74.296 46.353 23.385 1.00 28.40 ? ? ? ? ? ? 579 THR A CG2 1 -ATOM 4500 N N . VAL A 1 580 ? 73.608 43.868 27.134 1.00 33.43 ? ? ? ? ? ? 580 VAL A N 1 -ATOM 4501 C CA . VAL A 1 580 ? 73.735 42.886 28.185 1.00 33.40 ? ? ? ? ? ? 580 VAL A CA 1 -ATOM 4502 C C . VAL A 1 580 ? 73.388 41.526 27.547 1.00 32.97 ? ? ? ? ? ? 580 VAL A C 1 -ATOM 4503 O O . VAL A 1 580 ? 73.590 41.325 26.344 1.00 32.38 ? ? ? ? ? ? 580 VAL A O 1 -ATOM 4504 C CB . VAL A 1 580 ? 72.757 43.304 29.343 1.00 32.29 ? ? ? ? ? ? 580 VAL A CB 1 -ATOM 4505 C CG1 . VAL A 1 580 ? 71.311 43.293 28.864 1.00 31.45 ? ? ? ? ? ? 580 VAL A CG1 1 -ATOM 4506 C CG2 . VAL A 1 580 ? 72.952 42.455 30.573 1.00 34.30 ? ? ? ? ? ? 580 VAL A CG2 1 -ATOM 4507 N N . ARG A 1 581 ? 72.888 40.600 28.350 1.00 34.01 ? ? ? ? ? ? 581 ARG A N 1 -ATOM 4508 C CA . ARG A 1 581 ? 72.491 39.273 27.903 1.00 35.42 ? ? ? ? ? ? 581 ARG A CA 1 -ATOM 4509 C C . ARG A 1 581 ? 71.160 38.986 28.609 1.00 36.25 ? ? ? ? ? ? 581 ARG A C 1 -ATOM 4510 O O . ARG A 1 581 ? 70.704 39.793 29.427 1.00 36.73 ? ? ? ? ? ? 581 ARG A O 1 -ATOM 4511 C CB . ARG A 1 581 ? 73.557 38.234 28.301 1.00 35.41 ? ? ? ? ? ? 581 ARG A CB 1 -ATOM 4512 C CG . ARG A 1 581 ? 73.915 38.202 29.799 1.00 36.63 ? ? ? ? ? ? 581 ARG A CG 1 -ATOM 4513 C CD . ARG A 1 581 ? 75.421 37.976 30.029 1.00 37.12 ? ? ? ? ? ? 581 ARG A CD 1 -ATOM 4514 N NE . ARG A 1 581 ? 76.254 39.036 29.448 1.00 38.30 ? ? ? ? ? ? 581 ARG A NE 1 -ATOM 4515 C CZ . ARG A 1 581 ? 77.138 38.860 28.465 1.00 39.38 ? ? ? ? ? ? 581 ARG A CZ 1 -ATOM 4516 N NH1 . ARG A 1 581 ? 77.343 37.660 27.931 1.00 40.09 ? ? ? ? ? ? 581 ARG A NH1 1 -ATOM 4517 N NH2 . ARG A 1 581 ? 77.778 39.899 27.963 1.00 39.83 ? ? ? ? ? ? 581 ARG A NH2 1 -ATOM 4518 N N . GLU A 1 582 ? 70.498 37.894 28.247 1.00 36.96 ? ? ? ? ? ? 582 GLU A N 1 -ATOM 4519 C CA . GLU A 1 582 ? 69.241 37.538 28.900 1.00 36.49 ? ? ? ? ? ? 582 GLU A CA 1 -ATOM 4520 C C . GLU A 1 582 ? 69.332 36.093 29.373 1.00 35.03 ? ? ? ? ? ? 582 GLU A C 1 -ATOM 4521 O O . GLU A 1 582 ? 70.216 35.355 28.935 1.00 34.78 ? ? ? ? ? ? 582 GLU A O 1 -ATOM 4522 C CB . GLU A 1 582 ? 68.054 37.743 27.949 1.00 38.00 ? ? ? ? ? ? 582 GLU A CB 1 -ATOM 4523 C CG . GLU A 1 582 ? 67.662 36.546 27.106 1.00 41.14 ? ? ? ? ? ? 582 GLU A CG 1 -ATOM 4524 C CD . GLU A 1 582 ? 66.769 36.918 25.938 1.00 43.73 ? ? ? ? ? ? 582 GLU A CD 1 -ATOM 4525 O OE1 . GLU A 1 582 ? 66.949 38.017 25.364 1.00 44.32 ? ? ? ? ? ? 582 GLU A OE1 1 -ATOM 4526 O OE2 . GLU A 1 582 ? 65.883 36.106 25.589 1.00 45.09 ? ? ? ? ? ? 582 GLU A OE2 1 -ATOM 4527 N N . VAL A 1 583 ? 68.469 35.706 30.303 1.00 33.54 ? ? ? ? ? ? 583 VAL A N 1 -ATOM 4528 C CA . VAL A 1 583 ? 68.465 34.334 30.798 1.00 33.31 ? ? ? ? ? ? 583 VAL A CA 1 -ATOM 4529 C C . VAL A 1 583 ? 67.682 33.490 29.812 1.00 33.15 ? ? ? ? ? ? 583 VAL A C 1 -ATOM 4530 O O . VAL A 1 583 ? 67.032 34.025 28.919 1.00 35.91 ? ? ? ? ? ? 583 VAL A O 1 -ATOM 4531 C CB . VAL A 1 583 ? 67.754 34.209 32.134 1.00 34.00 ? ? ? ? ? ? 583 VAL A CB 1 -ATOM 4532 C CG1 . VAL A 1 583 ? 68.382 33.069 32.957 1.00 35.09 ? ? ? ? ? ? 583 VAL A CG1 1 -ATOM 4533 C CG2 . VAL A 1 583 ? 67.772 35.531 32.876 1.00 35.47 ? ? ? ? ? ? 583 VAL A CG2 1 -ATOM 4534 N N . GLY A 1 584 ? 67.761 32.173 29.928 1.00 32.23 ? ? ? ? ? ? 584 GLY A N 1 -ATOM 4535 C CA . GLY A 1 584 ? 66.998 31.337 29.014 1.00 30.66 ? ? ? ? ? ? 584 GLY A CA 1 -ATOM 4536 C C . GLY A 1 584 ? 67.561 31.302 27.613 1.00 30.10 ? ? ? ? ? ? 584 GLY A C 1 -ATOM 4537 O O . GLY A 1 584 ? 67.150 30.478 26.806 1.00 31.07 ? ? ? ? ? ? 584 GLY A O 1 -ATOM 4538 N N . HIS A 1 585 ? 68.443 32.239 27.291 1.00 29.43 ? ? ? ? ? ? 585 HIS A N 1 -ATOM 4539 C CA . HIS A 1 585 ? 69.089 32.270 25.994 1.00 30.00 ? ? ? ? ? ? 585 HIS A CA 1 -ATOM 4540 C C . HIS A 1 585 ? 70.561 32.580 26.213 1.00 29.33 ? ? ? ? ? ? 585 HIS A C 1 -ATOM 4541 O O . HIS A 1 585 ? 70.898 33.484 26.973 1.00 29.86 ? ? ? ? ? ? 585 HIS A O 1 -ATOM 4542 C CB . HIS A 1 585 ? 68.381 33.246 25.064 1.00 32.78 ? ? ? ? ? ? 585 HIS A CB 1 -ATOM 4543 C CG . HIS A 1 585 ? 67.044 32.744 24.619 1.00 36.62 ? ? ? ? ? ? 585 HIS A CG 1 -ATOM 4544 N ND1 . HIS A 1 585 ? 66.905 31.760 23.663 1.00 37.97 ? ? ? ? ? ? 585 HIS A ND1 1 -ATOM 4545 C CD2 . HIS A 1 585 ? 65.800 32.974 25.104 1.00 38.39 ? ? ? ? ? ? 585 HIS A CD2 1 -ATOM 4546 C CE1 . HIS A 1 585 ? 65.637 31.392 23.590 1.00 39.71 ? ? ? ? ? ? 585 HIS A CE1 1 -ATOM 4547 N NE2 . HIS A 1 585 ? 64.947 32.112 24.454 1.00 40.22 ? ? ? ? ? ? 585 HIS A NE2 1 -ATOM 4548 N N . TYR A 1 586 ? 71.442 31.800 25.594 1.00 28.38 ? ? ? ? ? ? 586 TYR A N 1 -ATOM 4549 C CA . TYR A 1 586 ? 72.876 31.981 25.813 1.00 28.48 ? ? ? ? ? ? 586 TYR A CA 1 -ATOM 4550 C C . TYR A 1 586 ? 73.736 32.371 24.598 1.00 29.02 ? ? ? ? ? ? 586 TYR A C 1 -ATOM 4551 O O . TYR A 1 586 ? 73.919 31.567 23.675 1.00 30.78 ? ? ? ? ? ? 586 TYR A O 1 -ATOM 4552 C CB . TYR A 1 586 ? 73.435 30.707 26.465 1.00 26.66 ? ? ? ? ? ? 586 TYR A CB 1 -ATOM 4553 C CG . TYR A 1 586 ? 74.836 30.863 26.957 1.00 26.27 ? ? ? ? ? ? 586 TYR A CG 1 -ATOM 4554 C CD1 . TYR A 1 586 ? 75.918 30.717 26.088 1.00 25.21 ? ? ? ? ? ? 586 TYR A CD1 1 -ATOM 4555 C CD2 . TYR A 1 586 ? 75.095 31.220 28.281 1.00 26.44 ? ? ? ? ? ? 586 TYR A CD2 1 -ATOM 4556 C CE1 . TYR A 1 586 ? 77.226 30.933 26.518 1.00 24.46 ? ? ? ? ? ? 586 TYR A CE1 1 -ATOM 4557 C CE2 . TYR A 1 586 ? 76.414 31.435 28.725 1.00 26.25 ? ? ? ? ? ? 586 TYR A CE2 1 -ATOM 4558 C CZ . TYR A 1 586 ? 77.464 31.292 27.825 1.00 25.11 ? ? ? ? ? ? 586 TYR A CZ 1 -ATOM 4559 O OH . TYR A 1 586 ? 78.748 31.549 28.220 1.00 27.61 ? ? ? ? ? ? 586 TYR A OH 1 -ATOM 4560 N N . SER A 1 587 ? 74.293 33.582 24.624 1.00 28.00 ? ? ? ? ? ? 587 SER A N 1 -ATOM 4561 C CA . SER A 1 587 ? 75.155 34.084 23.549 1.00 27.37 ? ? ? ? ? ? 587 SER A CA 1 -ATOM 4562 C C . SER A 1 587 ? 74.538 33.964 22.144 1.00 27.25 ? ? ? ? ? ? 587 SER A C 1 -ATOM 4563 O O . SER A 1 587 ? 73.486 34.519 21.868 1.00 27.86 ? ? ? ? ? ? 587 SER A O 1 -ATOM 4564 C CB . SER A 1 587 ? 76.516 33.375 23.599 1.00 25.80 ? ? ? ? ? ? 587 SER A CB 1 -ATOM 4565 O OG . SER A 1 587 ? 77.177 33.597 24.826 1.00 24.73 ? ? ? ? ? ? 587 SER A OG 1 -ATOM 4566 N N . CYS A 1 588 ? 75.236 33.261 21.262 1.00 28.37 ? ? ? ? ? ? 588 CYS A N 1 -ATOM 4567 C CA . CYS A 1 588 ? 74.833 32.994 19.883 1.00 29.47 ? ? ? ? ? ? 588 CYS A CA 1 -ATOM 4568 C C . CYS A 1 588 ? 73.381 32.522 19.742 1.00 28.46 ? ? ? ? ? ? 588 CYS A C 1 -ATOM 4569 O O . CYS A 1 588 ? 72.773 32.678 18.683 1.00 28.89 ? ? ? ? ? ? 588 CYS A O 1 -ATOM 4570 C CB . CYS A 1 588 ? 75.692 31.852 19.365 1.00 30.45 ? ? ? ? ? ? 588 CYS A CB 1 -ATOM 4571 S SG . CYS A 1 588 ? 76.302 32.016 17.750 1.00 35.11 ? ? ? ? ? ? 588 CYS A SG 1 -ATOM 4572 N N . ARG A 1 589 ? 72.892 31.819 20.755 1.00 26.18 ? ? ? ? ? ? 589 ARG A N 1 -ATOM 4573 C CA . ARG A 1 589 ? 71.545 31.286 20.730 1.00 25.85 ? ? ? ? ? ? 589 ARG A CA 1 -ATOM 4574 C C . ARG A 1 589 ? 71.448 30.203 19.648 1.00 25.79 ? ? ? ? ? ? 589 ARG A C 1 -ATOM 4575 O O . ARG A 1 589 ? 70.360 29.824 19.224 1.00 25.82 ? ? ? ? ? ? 589 ARG A O 1 -ATOM 4576 C CB . ARG A 1 589 ? 70.537 32.401 20.479 1.00 25.93 ? ? ? ? ? ? 589 ARG A CB 1 -ATOM 4577 C CG . ARG A 1 589 ? 69.155 32.120 21.040 1.00 26.63 ? ? ? ? ? ? 589 ARG A CG 1 -ATOM 4578 C CD . ARG A 1 589 ? 68.264 33.307 20.848 1.00 26.62 ? ? ? ? ? ? 589 ARG A CD 1 -ATOM 4579 N NE . ARG A 1 589 ? 68.327 33.740 19.461 1.00 27.02 ? ? ? ? ? ? 589 ARG A NE 1 -ATOM 4580 C CZ . ARG A 1 589 ? 67.430 33.429 18.540 1.00 29.18 ? ? ? ? ? ? 589 ARG A CZ 1 -ATOM 4581 N NH1 . ARG A 1 589 ? 66.377 32.673 18.846 1.00 30.08 ? ? ? ? ? ? 589 ARG A NH1 1 -ATOM 4582 N NH2 . ARG A 1 589 ? 67.587 33.890 17.307 1.00 31.63 ? ? ? ? ? ? 589 ARG A NH2 1 -ATOM 4583 N N . SER A 1 590 ? 72.608 29.659 19.287 1.00 25.46 ? ? ? ? ? ? 590 SER A N 1 -ATOM 4584 C CA . SER A 1 590 ? 72.776 28.614 18.278 1.00 24.52 ? ? ? ? ? ? 590 SER A CA 1 -ATOM 4585 C C . SER A 1 590 ? 72.372 27.264 18.874 1.00 24.38 ? ? ? ? ? ? 590 SER A C 1 -ATOM 4586 O O . SER A 1 590 ? 71.847 26.359 18.200 1.00 23.24 ? ? ? ? ? ? 590 SER A O 1 -ATOM 4587 C CB . SER A 1 590 ? 74.255 28.562 17.921 1.00 25.21 ? ? ? ? ? ? 590 SER A CB 1 -ATOM 4588 O OG . SER A 1 590 ? 74.458 28.204 16.575 1.00 29.39 ? ? ? ? ? ? 590 SER A OG 1 -ATOM 4589 N N . MET A 1 591 ? 72.707 27.113 20.146 1.00 23.45 ? ? ? ? ? ? 591 MET A N 1 -ATOM 4590 C CA . MET A 1 591 ? 72.402 25.907 20.868 1.00 21.93 ? ? ? ? ? ? 591 MET A CA 1 -ATOM 4591 C C . MET A 1 591 ? 71.060 26.173 21.487 1.00 22.34 ? ? ? ? ? ? 591 MET A C 1 -ATOM 4592 O O . MET A 1 591 ? 70.071 25.568 21.103 1.00 24.79 ? ? ? ? ? ? 591 MET A O 1 -ATOM 4593 C CB . MET A 1 591 ? 73.473 25.665 21.934 1.00 21.43 ? ? ? ? ? ? 591 MET A CB 1 -ATOM 4594 C CG . MET A 1 591 ? 74.819 25.217 21.349 1.00 19.26 ? ? ? ? ? ? 591 MET A CG 1 -ATOM 4595 S SD . MET A 1 591 ? 76.179 25.300 22.505 1.00 19.24 ? ? ? ? ? ? 591 MET A SD 1 -ATOM 4596 C CE . MET A 1 591 ? 76.143 23.711 23.241 1.00 19.16 ? ? ? ? ? ? 591 MET A CE 1 -ATOM 4597 N N . THR A 1 592 ? 71.009 27.215 22.304 1.00 21.90 ? ? ? ? ? ? 592 THR A N 1 -ATOM 4598 C CA . THR A 1 592 ? 69.801 27.610 23.013 1.00 20.43 ? ? ? ? ? ? 592 THR A CA 1 -ATOM 4599 C C . THR A 1 592 ? 68.586 27.849 22.125 1.00 18.88 ? ? ? ? ? ? 592 THR A C 1 -ATOM 4600 O O . THR A 1 592 ? 67.497 27.355 22.405 1.00 18.59 ? ? ? ? ? ? 592 THR A O 1 -ATOM 4601 C CB . THR A 1 592 ? 70.113 28.810 23.958 1.00 20.90 ? ? ? ? ? ? 592 THR A CB 1 -ATOM 4602 O OG1 . THR A 1 592 ? 70.294 28.331 25.297 1.00 22.20 ? ? ? ? ? ? 592 THR A OG1 1 -ATOM 4603 C CG2 . THR A 1 592 ? 69.015 29.799 23.965 1.00 22.26 ? ? ? ? ? ? 592 THR A CG2 1 -ATOM 4604 N N . GLY A 1 593 ? 68.774 28.568 21.034 1.00 18.51 ? ? ? ? ? ? 593 GLY A N 1 -ATOM 4605 C CA . GLY A 1 593 ? 67.659 28.824 20.148 1.00 19.12 ? ? ? ? ? ? 593 GLY A CA 1 -ATOM 4606 C C . GLY A 1 593 ? 67.161 27.566 19.458 1.00 19.98 ? ? ? ? ? ? 593 GLY A C 1 -ATOM 4607 O O . GLY A 1 593 ? 66.054 27.560 18.963 1.00 22.03 ? ? ? ? ? ? 593 GLY A O 1 -ATOM 4608 N N . ASN A 1 594 ? 67.971 26.509 19.396 1.00 20.49 ? ? ? ? ? ? 594 ASN A N 1 -ATOM 4609 C CA . ASN A 1 594 ? 67.558 25.261 18.746 1.00 19.20 ? ? ? ? ? ? 594 ASN A CA 1 -ATOM 4610 C C . ASN A 1 594 ? 67.014 24.284 19.789 1.00 18.58 ? ? ? ? ? ? 594 ASN A C 1 -ATOM 4611 O O . ASN A 1 594 ? 66.871 23.096 19.531 1.00 18.42 ? ? ? ? ? ? 594 ASN A O 1 -ATOM 4612 C CB . ASN A 1 594 ? 68.717 24.636 17.940 1.00 19.84 ? ? ? ? ? ? 594 ASN A CB 1 -ATOM 4613 C CG . ASN A 1 594 ? 68.910 25.284 16.546 1.00 21.19 ? ? ? ? ? ? 594 ASN A CG 1 -ATOM 4614 O OD1 . ASN A 1 594 ? 67.957 25.437 15.783 1.00 21.41 ? ? ? ? ? ? 594 ASN A OD1 1 -ATOM 4615 N ND2 . ASN A 1 594 ? 70.147 25.649 16.217 1.00 20.01 ? ? ? ? ? ? 594 ASN A ND2 1 -ATOM 4616 N N . CYS A 1 595 ? 66.707 24.799 20.975 1.00 18.27 ? ? ? ? ? ? 595 CYS A N 1 -ATOM 4617 C CA . CYS A 1 595 ? 66.145 23.989 22.052 1.00 16.53 ? ? ? ? ? ? 595 CYS A CA 1 -ATOM 4618 C C . CYS A 1 595 ? 64.654 24.299 22.239 1.00 18.19 ? ? ? ? ? ? 595 CYS A C 1 -ATOM 4619 O O . CYS A 1 595 ? 64.283 25.401 22.656 1.00 17.17 ? ? ? ? ? ? 595 CYS A O 1 -ATOM 4620 C CB . CYS A 1 595 ? 66.882 24.236 23.361 1.00 14.58 ? ? ? ? ? ? 595 CYS A CB 1 -ATOM 4621 S SG . CYS A 1 595 ? 68.403 23.336 23.525 1.00 9.76 ? ? ? ? ? ? 595 CYS A SG 1 -ATOM 4622 N N . ALA A 1 596 ? 63.820 23.294 21.955 1.00 19.96 ? ? ? ? ? ? 596 ALA A N 1 -ATOM 4623 C CA . ALA A 1 596 ? 62.362 23.350 22.052 1.00 18.88 ? ? ? ? ? ? 596 ALA A CA 1 -ATOM 4624 C C . ALA A 1 596 ? 61.800 24.178 23.208 1.00 20.02 ? ? ? ? ? ? 596 ALA A C 1 -ATOM 4625 O O . ALA A 1 596 ? 61.115 25.166 22.975 1.00 21.42 ? ? ? ? ? ? 596 ALA A O 1 -ATOM 4626 C CB . ALA A 1 596 ? 61.824 21.964 22.124 1.00 18.85 ? ? ? ? ? ? 596 ALA A CB 1 -ATOM 4627 N N . ALA A 1 597 ? 62.086 23.807 24.454 1.00 19.41 ? ? ? ? ? ? 597 ALA A N 1 -ATOM 4628 C CA . ALA A 1 597 ? 61.536 24.581 25.562 1.00 18.84 ? ? ? ? ? ? 597 ALA A CA 1 -ATOM 4629 C C . ALA A 1 597 ? 62.079 26.014 25.734 1.00 19.36 ? ? ? ? ? ? 597 ALA A C 1 -ATOM 4630 O O . ALA A 1 597 ? 61.318 26.915 26.068 1.00 21.52 ? ? ? ? ? ? 597 ALA A O 1 -ATOM 4631 C CB . ALA A 1 597 ? 61.628 23.808 26.846 1.00 18.61 ? ? ? ? ? ? 597 ALA A CB 1 -ATOM 4632 N N . LEU A 1 598 ? 63.363 26.251 25.486 1.00 18.19 ? ? ? ? ? ? 598 LEU A N 1 -ATOM 4633 C CA . LEU A 1 598 ? 63.904 27.608 25.641 1.00 18.18 ? ? ? ? ? ? 598 LEU A CA 1 -ATOM 4634 C C . LEU A 1 598 ? 63.460 28.514 24.485 1.00 18.50 ? ? ? ? ? ? 598 LEU A C 1 -ATOM 4635 O O . LEU A 1 598 ? 63.264 29.724 24.652 1.00 18.83 ? ? ? ? ? ? 598 LEU A O 1 -ATOM 4636 C CB . LEU A 1 598 ? 65.438 27.603 25.701 1.00 16.28 ? ? ? ? ? ? 598 LEU A CB 1 -ATOM 4637 C CG . LEU A 1 598 ? 66.181 26.743 26.713 1.00 15.70 ? ? ? ? ? ? 598 LEU A CG 1 -ATOM 4638 C CD1 . LEU A 1 598 ? 67.660 27.010 26.531 1.00 15.89 ? ? ? ? ? ? 598 LEU A CD1 1 -ATOM 4639 C CD2 . LEU A 1 598 ? 65.733 26.999 28.162 1.00 15.12 ? ? ? ? ? ? 598 LEU A CD2 1 -ATOM 4640 N N . ALA A 1 599 ? 63.353 27.922 23.302 1.00 18.29 ? ? ? ? ? ? 599 ALA A N 1 -ATOM 4641 C CA . ALA A 1 599 ? 62.944 28.634 22.108 1.00 17.94 ? ? ? ? ? ? 599 ALA A CA 1 -ATOM 4642 C C . ALA A 1 599 ? 61.537 29.187 22.349 1.00 19.74 ? ? ? ? ? ? 599 ALA A C 1 -ATOM 4643 O O . ALA A 1 599 ? 61.238 30.351 22.037 1.00 18.55 ? ? ? ? ? ? 599 ALA A O 1 -ATOM 4644 C CB . ALA A 1 599 ? 62.964 27.686 20.919 1.00 14.82 ? ? ? ? ? ? 599 ALA A CB 1 -ATOM 4645 N N . ALA A 1 600 ? 60.724 28.375 23.024 1.00 20.96 ? ? ? ? ? ? 600 ALA A N 1 -ATOM 4646 C CA . ALA A 1 600 ? 59.343 28.716 23.357 1.00 21.89 ? ? ? ? ? ? 600 ALA A CA 1 -ATOM 4647 C C . ALA A 1 600 ? 59.121 29.864 24.372 1.00 21.54 ? ? ? ? ? ? 600 ALA A C 1 -ATOM 4648 O O . ALA A 1 600 ? 57.985 30.267 24.580 1.00 20.90 ? ? ? ? ? ? 600 ALA A O 1 -ATOM 4649 C CB . ALA A 1 600 ? 58.602 27.455 23.820 1.00 22.57 ? ? ? ? ? ? 600 ALA A CB 1 -ATOM 4650 N N . LEU A 1 601 ? 60.170 30.355 25.032 1.00 20.85 ? ? ? ? ? ? 601 LEU A N 1 -ATOM 4651 C CA . LEU A 1 601 ? 60.004 31.462 25.989 1.00 20.78 ? ? ? ? ? ? 601 LEU A CA 1 -ATOM 4652 C C . LEU A 1 601 ? 60.483 32.783 25.379 1.00 21.19 ? ? ? ? ? ? 601 LEU A C 1 -ATOM 4653 O O . LEU A 1 601 ? 60.230 33.881 25.923 1.00 19.60 ? ? ? ? ? ? 601 LEU A O 1 -ATOM 4654 C CB . LEU A 1 601 ? 60.808 31.220 27.268 1.00 19.05 ? ? ? ? ? ? 601 LEU A CB 1 -ATOM 4655 C CG . LEU A 1 601 ? 60.635 29.951 28.079 1.00 18.58 ? ? ? ? ? ? 601 LEU A CG 1 -ATOM 4656 C CD1 . LEU A 1 601 ? 61.842 29.807 28.948 1.00 19.23 ? ? ? ? ? ? 601 LEU A CD1 1 -ATOM 4657 C CD2 . LEU A 1 601 ? 59.391 29.982 28.915 1.00 18.12 ? ? ? ? ? ? 601 LEU A CD2 1 -ATOM 4658 N N . ALA A 1 602 ? 61.228 32.669 24.281 1.00 21.72 ? ? ? ? ? ? 602 ALA A N 1 -ATOM 4659 C CA . ALA A 1 602 ? 61.756 33.846 23.620 1.00 21.48 ? ? ? ? ? ? 602 ALA A CA 1 -ATOM 4660 C C . ALA A 1 602 ? 62.314 33.612 22.225 1.00 22.46 ? ? ? ? ? ? 602 ALA A C 1 -ATOM 4661 O O . ALA A 1 602 ? 63.201 32.785 22.017 1.00 20.50 ? ? ? ? ? ? 602 ALA A O 1 -ATOM 4662 C CB . ALA A 1 602 ? 62.802 34.462 24.483 1.00 22.12 ? ? ? ? ? ? 602 ALA A CB 1 -ATOM 4663 N N . ASP A 1 603 ? 61.749 34.329 21.265 1.00 25.37 ? ? ? ? ? ? 603 ASP A N 1 -ATOM 4664 C CA . ASP A 1 603 ? 62.222 34.275 19.896 1.00 28.77 ? ? ? ? ? ? 603 ASP A CA 1 -ATOM 4665 C C . ASP A 1 603 ? 62.467 35.729 19.427 1.00 31.08 ? ? ? ? ? ? 603 ASP A C 1 -ATOM 4666 O O . ASP A 1 603 ? 62.545 36.664 20.256 1.00 31.08 ? ? ? ? ? ? 603 ASP A O 1 -ATOM 4667 C CB . ASP A 1 603 ? 61.248 33.534 18.980 1.00 30.09 ? ? ? ? ? ? 603 ASP A CB 1 -ATOM 4668 C CG . ASP A 1 603 ? 61.964 32.783 17.844 1.00 30.59 ? ? ? ? ? ? 603 ASP A CG 1 -ATOM 4669 O OD1 . ASP A 1 603 ? 63.040 33.250 17.404 1.00 30.26 ? ? ? ? ? ? 603 ASP A OD1 1 -ATOM 4670 O OD2 . ASP A 1 603 ? 61.464 31.719 17.407 1.00 30.16 ? ? ? ? ? ? 603 ASP A OD2 1 -ATOM 4671 N N . GLU A 1 604 ? 62.632 35.909 18.118 1.00 31.68 ? ? ? ? ? ? 604 GLU A N 1 -ATOM 4672 C CA . GLU A 1 604 ? 62.917 37.209 17.524 1.00 31.36 ? ? ? ? ? ? 604 GLU A CA 1 -ATOM 4673 C C . GLU A 1 604 ? 61.788 38.210 17.700 1.00 32.35 ? ? ? ? ? ? 604 GLU A C 1 -ATOM 4674 O O . GLU A 1 604 ? 60.616 37.808 17.792 1.00 33.43 ? ? ? ? ? ? 604 GLU A O 1 -ATOM 4675 C CB . GLU A 1 604 ? 63.226 37.015 16.056 1.00 30.42 ? ? ? ? ? ? 604 GLU A CB 1 -ATOM 4676 C CG . GLU A 1 604 ? 64.361 36.048 15.845 1.00 32.32 ? ? ? ? ? ? 604 GLU A CG 1 -ATOM 4677 C CD . GLU A 1 604 ? 65.717 36.624 16.202 1.00 33.77 ? ? ? ? ? ? 604 GLU A CD 1 -ATOM 4678 O OE1 . GLU A 1 604 ? 65.785 37.767 16.693 1.00 34.70 ? ? ? ? ? ? 604 GLU A OE1 1 -ATOM 4679 O OE2 . GLU A 1 604 ? 66.733 35.941 15.961 1.00 35.45 ? ? ? ? ? ? 604 GLU A OE2 1 -ATOM 4680 N N . PRO A 1 605 ? 62.112 39.525 17.681 1.00 31.80 ? ? ? ? ? ? 605 PRO A N 1 -ATOM 4681 C CA . PRO A 1 605 ? 63.435 40.151 17.510 1.00 31.71 ? ? ? ? ? ? 605 PRO A CA 1 -ATOM 4682 C C . PRO A 1 605 ? 64.261 40.373 18.786 1.00 31.49 ? ? ? ? ? ? 605 PRO A C 1 -ATOM 4683 O O . PRO A 1 605 ? 65.477 40.543 18.726 1.00 32.79 ? ? ? ? ? ? 605 PRO A O 1 -ATOM 4684 C CB . PRO A 1 605 ? 63.106 41.509 16.884 1.00 30.82 ? ? ? ? ? ? 605 PRO A CB 1 -ATOM 4685 C CG . PRO A 1 605 ? 61.581 41.529 16.742 1.00 31.17 ? ? ? ? ? ? 605 PRO A CG 1 -ATOM 4686 C CD . PRO A 1 605 ? 61.077 40.567 17.743 1.00 31.17 ? ? ? ? ? ? 605 PRO A CD 1 -ATOM 4687 N N . GLY A 1 606 ? 63.596 40.409 19.929 1.00 30.34 ? ? ? ? ? ? 606 GLY A N 1 -ATOM 4688 C CA . GLY A 1 606 ? 64.290 40.650 21.177 1.00 28.41 ? ? ? ? ? ? 606 GLY A CA 1 -ATOM 4689 C C . GLY A 1 606 ? 63.561 41.790 21.847 1.00 27.50 ? ? ? ? ? ? 606 GLY A C 1 -ATOM 4690 O O . GLY A 1 606 ? 62.586 42.285 21.289 1.00 28.31 ? ? ? ? ? ? 606 GLY A O 1 -ATOM 4691 N N . TYR A 1 607 ? 64.020 42.206 23.024 1.00 26.90 ? ? ? ? ? ? 607 TYR A N 1 -ATOM 4692 C CA . TYR A 1 607 ? 63.399 43.293 23.774 1.00 26.53 ? ? ? ? ? ? 607 TYR A CA 1 -ATOM 4693 C C . TYR A 1 607 ? 64.391 44.374 24.089 1.00 27.53 ? ? ? ? ? ? 607 TYR A C 1 -ATOM 4694 O O . TYR A 1 607 ? 65.563 44.099 24.321 1.00 27.24 ? ? ? ? ? ? 607 TYR A O 1 -ATOM 4695 C CB . TYR A 1 607 ? 62.857 42.805 25.117 1.00 25.64 ? ? ? ? ? ? 607 TYR A CB 1 -ATOM 4696 C CG . TYR A 1 607 ? 61.499 42.167 25.080 1.00 24.41 ? ? ? ? ? ? 607 TYR A CG 1 -ATOM 4697 C CD1 . TYR A 1 607 ? 60.347 42.950 25.087 1.00 25.14 ? ? ? ? ? ? 607 TYR A CD1 1 -ATOM 4698 C CD2 . TYR A 1 607 ? 61.359 40.788 25.119 1.00 21.21 ? ? ? ? ? ? 607 TYR A CD2 1 -ATOM 4699 C CE1 . TYR A 1 607 ? 59.088 42.372 25.145 1.00 24.16 ? ? ? ? ? ? 607 TYR A CE1 1 -ATOM 4700 C CE2 . TYR A 1 607 ? 60.118 40.205 25.176 1.00 20.85 ? ? ? ? ? ? 607 TYR A CE2 1 -ATOM 4701 C CZ . TYR A 1 607 ? 58.981 40.995 25.196 1.00 22.78 ? ? ? ? ? ? 607 TYR A CZ 1 -ATOM 4702 O OH . TYR A 1 607 ? 57.738 40.405 25.307 1.00 22.49 ? ? ? ? ? ? 607 TYR A OH 1 -ATOM 4703 N N . ALA A 1 608 ? 63.897 45.602 24.151 1.00 30.05 ? ? ? ? ? ? 608 ALA A N 1 -ATOM 4704 C CA . ALA A 1 608 ? 64.716 46.752 24.499 1.00 31.71 ? ? ? ? ? ? 608 ALA A CA 1 -ATOM 4705 C C . ALA A 1 608 ? 64.100 47.260 25.803 1.00 32.55 ? ? ? ? ? ? 608 ALA A C 1 -ATOM 4706 O O . ALA A 1 608 ? 62.908 47.596 25.843 1.00 32.54 ? ? ? ? ? ? 608 ALA A O 1 -ATOM 4707 C CB . ALA A 1 608 ? 64.644 47.817 23.403 1.00 31.78 ? ? ? ? ? ? 608 ALA A CB 1 -ATOM 4708 N N . GLN A 1 609 ? 64.880 47.192 26.881 1.00 33.33 ? ? ? ? ? ? 609 GLN A N 1 -ATOM 4709 C CA . GLN A 1 609 ? 64.443 47.635 28.203 1.00 33.96 ? ? ? ? ? ? 609 GLN A CA 1 -ATOM 4710 C C . GLN A 1 609 ? 64.344 49.151 28.235 1.00 34.35 ? ? ? ? ? ? 609 GLN A C 1 -ATOM 4711 O O . GLN A 1 609 ? 65.363 49.839 28.265 1.00 32.82 ? ? ? ? ? ? 609 GLN A O 1 -ATOM 4712 C CB . GLN A 1 609 ? 65.439 47.200 29.269 1.00 34.60 ? ? ? ? ? ? 609 GLN A CB 1 -ATOM 4713 C CG . GLN A 1 609 ? 65.460 45.734 29.583 1.00 35.10 ? ? ? ? ? ? 609 GLN A CG 1 -ATOM 4714 C CD . GLN A 1 609 ? 66.338 45.449 30.787 1.00 35.93 ? ? ? ? ? ? 609 GLN A CD 1 -ATOM 4715 O OE1 . GLN A 1 609 ? 67.456 44.963 30.648 1.00 38.38 ? ? ? ? ? ? 609 GLN A OE1 1 -ATOM 4716 N NE2 . GLN A 1 609 ? 65.848 45.784 31.976 1.00 35.34 ? ? ? ? ? ? 609 GLN A NE2 1 -ATOM 4717 N N . ILE A 1 610 ? 63.116 49.660 28.262 1.00 35.81 ? ? ? ? ? ? 610 ILE A N 1 -ATOM 4718 C CA . ILE A 1 610 ? 62.887 51.096 28.264 1.00 36.89 ? ? ? ? ? ? 610 ILE A CA 1 -ATOM 4719 C C . ILE A 1 610 ? 62.280 51.513 29.599 1.00 39.17 ? ? ? ? ? ? 610 ILE A C 1 -ATOM 4720 O O . ILE A 1 610 ? 61.476 50.784 30.186 1.00 39.30 ? ? ? ? ? ? 610 ILE A O 1 -ATOM 4721 C CB . ILE A 1 610 ? 62.027 51.539 27.029 1.00 35.53 ? ? ? ? ? ? 610 ILE A CB 1 -ATOM 4722 C CG1 . ILE A 1 610 ? 62.609 50.908 25.749 1.00 33.30 ? ? ? ? ? ? 610 ILE A CG1 1 -ATOM 4723 C CG2 . ILE A 1 610 ? 62.066 53.063 26.864 1.00 33.98 ? ? ? ? ? ? 610 ILE A CG2 1 -ATOM 4724 C CD1 . ILE A 1 610 ? 62.039 51.410 24.459 1.00 30.26 ? ? ? ? ? ? 610 ILE A CD1 1 -ATOM 4725 N N . ASN A 1 611 ? 62.736 52.653 30.107 1.00 41.11 ? ? ? ? ? ? 611 ASN A N 1 -ATOM 4726 C CA . ASN A 1 611 ? 62.296 53.171 31.389 1.00 44.58 ? ? ? ? ? ? 611 ASN A CA 1 -ATOM 4727 C C . ASN A 1 611 ? 60.859 53.663 31.432 1.00 48.53 ? ? ? ? ? ? 611 ASN A C 1 -ATOM 4728 O O . ASN A 1 611 ? 60.444 54.442 30.576 1.00 49.37 ? ? ? ? ? ? 611 ASN A O 1 -ATOM 4729 C CB . ASN A 1 611 ? 63.223 54.290 31.824 1.00 43.16 ? ? ? ? ? ? 611 ASN A CB 1 -ATOM 4730 C CG . ASN A 1 611 ? 62.737 54.983 33.059 1.00 42.25 ? ? ? ? ? ? 611 ASN A CG 1 -ATOM 4731 O OD1 . ASN A 1 611 ? 62.071 56.015 32.988 1.00 41.64 ? ? ? ? ? ? 611 ASN A OD1 1 -ATOM 4732 N ND2 . ASN A 1 611 ? 63.046 54.411 34.206 1.00 42.25 ? ? ? ? ? ? 611 ASN A ND2 1 -ATOM 4733 N N . THR A 1 612 ? 60.138 53.260 32.481 1.00 52.61 ? ? ? ? ? ? 612 THR A N 1 -ATOM 4734 C CA . THR A 1 612 ? 58.730 53.628 32.705 1.00 56.13 ? ? ? ? ? ? 612 THR A CA 1 -ATOM 4735 C C . THR A 1 612 ? 58.496 55.121 32.520 1.00 59.05 ? ? ? ? ? ? 612 THR A C 1 -ATOM 4736 O O . THR A 1 612 ? 58.033 55.583 31.465 1.00 58.31 ? ? ? ? ? ? 612 THR A O 1 -ATOM 4737 C CB . THR A 1 612 ? 58.297 53.316 34.167 1.00 55.86 ? ? ? ? ? ? 612 THR A CB 1 -ATOM 4738 O OG1 . THR A 1 612 ? 58.635 51.971 34.504 1.00 56.20 ? ? ? ? ? ? 612 THR A OG1 1 -ATOM 4739 C CG2 . THR A 1 612 ? 56.814 53.538 34.359 1.00 55.13 ? ? ? ? ? ? 612 THR A CG2 1 -ATOM 4740 N N . GLU A 1 613 ? 58.848 55.850 33.580 1.00 62.80 ? ? ? ? ? ? 613 GLU A N 1 -ATOM 4741 C CA . GLU A 1 613 ? 58.704 57.289 33.670 1.00 65.54 ? ? ? ? ? ? 613 GLU A CA 1 -ATOM 4742 C C . GLU A 1 613 ? 58.954 57.987 32.332 1.00 66.35 ? ? ? ? ? ? 613 GLU A C 1 -ATOM 4743 O O . GLU A 1 613 ? 58.044 58.625 31.801 1.00 67.26 ? ? ? ? ? ? 613 GLU A O 1 -ATOM 4744 C CB . GLU A 1 613 ? 59.614 57.847 34.792 1.00 67.09 ? ? ? ? ? ? 613 GLU A CB 1 -ATOM 4745 C CG . GLU A 1 613 ? 58.942 58.054 36.188 1.00 68.34 ? ? ? ? ? ? 613 GLU A CG 1 -ATOM 4746 C CD . GLU A 1 613 ? 59.831 58.815 37.222 1.00 68.53 ? ? ? ? ? ? 613 GLU A CD 1 -ATOM 4747 O OE1 . GLU A 1 613 ? 60.823 59.475 36.828 1.00 67.83 ? ? ? ? ? ? 613 GLU A OE1 1 -ATOM 4748 O OE2 . GLU A 1 613 ? 59.524 58.759 38.439 1.00 67.01 ? ? ? ? ? ? 613 GLU A OE2 1 -ATOM 4749 N N . ASP A 1 614 ? 60.121 57.774 31.728 1.00 66.83 ? ? ? ? ? ? 614 ASP A N 1 -ATOM 4750 C CA . ASP A 1 614 ? 60.418 58.446 30.466 1.00 67.82 ? ? ? ? ? ? 614 ASP A CA 1 -ATOM 4751 C C . ASP A 1 614 ? 59.851 57.831 29.197 1.00 68.37 ? ? ? ? ? ? 614 ASP A C 1 -ATOM 4752 O O . ASP A 1 614 ? 59.895 58.458 28.139 1.00 68.63 ? ? ? ? ? ? 614 ASP A O 1 -ATOM 4753 C CB . ASP A 1 614 ? 61.918 58.711 30.306 1.00 68.49 ? ? ? ? ? ? 614 ASP A CB 1 -ATOM 4754 C CG . ASP A 1 614 ? 62.664 57.565 29.644 1.00 69.29 ? ? ? ? ? ? 614 ASP A CG 1 -ATOM 4755 O OD1 . ASP A 1 614 ? 62.508 57.361 28.417 1.00 68.49 ? ? ? ? ? ? 614 ASP A OD1 1 -ATOM 4756 O OD2 . ASP A 1 614 ? 63.452 56.900 30.349 1.00 70.24 ? ? ? ? ? ? 614 ASP A OD2 1 -ATOM 4757 N N . ALA A 1 615 ? 59.383 56.593 29.264 1.00 68.88 ? ? ? ? ? ? 615 ALA A N 1 -ATOM 4758 C CA . ALA A 1 615 ? 58.805 55.974 28.075 1.00 69.13 ? ? ? ? ? ? 615 ALA A CA 1 -ATOM 4759 C C . ALA A 1 615 ? 57.445 56.628 27.819 1.00 69.12 ? ? ? ? ? ? 615 ALA A C 1 -ATOM 4760 O O . ALA A 1 615 ? 57.071 56.896 26.665 1.00 69.19 ? ? ? ? ? ? 615 ALA A O 1 -ATOM 4761 C CB . ALA A 1 615 ? 58.644 54.487 28.272 1.00 69.45 ? ? ? ? ? ? 615 ALA A CB 1 -ATOM 4762 N N . LYS A 1 616 ? 56.733 56.924 28.910 1.00 68.28 ? ? ? ? ? ? 616 LYS A N 1 -ATOM 4763 C CA . LYS A 1 616 ? 55.416 57.570 28.851 1.00 66.60 ? ? ? ? ? ? 616 LYS A CA 1 -ATOM 4764 C C . LYS A 1 616 ? 55.511 58.904 28.106 1.00 66.20 ? ? ? ? ? ? 616 LYS A C 1 -ATOM 4765 O O . LYS A 1 616 ? 54.506 59.432 27.628 1.00 66.39 ? ? ? ? ? ? 616 LYS A O 1 -ATOM 4766 C CB . LYS A 1 616 ? 54.873 57.842 30.266 1.00 64.54 ? ? ? ? ? ? 616 LYS A CB 1 -ATOM 4767 C CG . LYS A 1 616 ? 54.639 56.624 31.156 1.00 61.39 ? ? ? ? ? ? 616 LYS A CG 1 -ATOM 4768 C CD . LYS A 1 616 ? 54.348 57.100 32.580 1.00 59.35 ? ? ? ? ? ? 616 LYS A CD 1 -ATOM 4769 C CE . LYS A 1 616 ? 54.213 55.954 33.577 1.00 58.14 ? ? ? ? ? ? 616 LYS A CE 1 -ATOM 4770 N NZ . LYS A 1 616 ? 54.259 56.413 35.008 1.00 55.25 ? ? ? ? ? ? 616 LYS A NZ 1 -ATOM 4771 N N . ARG A 1 617 ? 56.723 59.432 27.993 1.00 65.56 ? ? ? ? ? ? 617 ARG A N 1 -ATOM 4772 C CA . ARG A 1 617 ? 56.949 60.710 27.335 1.00 65.66 ? ? ? ? ? ? 617 ARG A CA 1 -ATOM 4773 C C . ARG A 1 617 ? 57.792 60.518 26.062 1.00 64.16 ? ? ? ? ? ? 617 ARG A C 1 -ATOM 4774 O O . ARG A 1 617 ? 58.414 61.450 25.541 1.00 63.22 ? ? ? ? ? ? 617 ARG A O 1 -ATOM 4775 C CB . ARG A 1 617 ? 57.625 61.644 28.341 1.00 67.57 ? ? ? ? ? ? 617 ARG A CB 1 -ATOM 4776 C CG . ARG A 1 617 ? 57.766 63.082 27.905 1.00 71.38 ? ? ? ? ? ? 617 ARG A CG 1 -ATOM 4777 C CD . ARG A 1 617 ? 59.168 63.585 28.228 1.00 74.44 ? ? ? ? ? ? 617 ARG A CD 1 -ATOM 4778 N NE . ARG A 1 617 ? 60.198 62.636 27.797 1.00 75.88 ? ? ? ? ? ? 617 ARG A NE 1 -ATOM 4779 C CZ . ARG A 1 617 ? 60.838 61.808 28.620 1.00 77.20 ? ? ? ? ? ? 617 ARG A CZ 1 -ATOM 4780 N NH1 . ARG A 1 617 ? 60.556 61.806 29.924 1.00 77.39 ? ? ? ? ? ? 617 ARG A NH1 1 -ATOM 4781 N NH2 . ARG A 1 617 ? 61.783 61.004 28.146 1.00 77.72 ? ? ? ? ? ? 617 ARG A NH2 1 -ATOM 4782 N N . LEU A 1 618 ? 57.765 59.293 25.554 1.00 63.01 ? ? ? ? ? ? 618 LEU A N 1 -ATOM 4783 C CA . LEU A 1 618 ? 58.505 58.909 24.353 1.00 61.58 ? ? ? ? ? ? 618 LEU A CA 1 -ATOM 4784 C C . LEU A 1 618 ? 57.543 58.364 23.294 1.00 60.49 ? ? ? ? ? ? 618 LEU A C 1 -ATOM 4785 O O . LEU A 1 618 ? 57.851 58.345 22.094 1.00 59.64 ? ? ? ? ? ? 618 LEU A O 1 -ATOM 4786 C CB . LEU A 1 618 ? 59.547 57.839 24.714 1.00 61.71 ? ? ? ? ? ? 618 LEU A CB 1 -ATOM 4787 C CG . LEU A 1 618 ? 61.022 58.228 24.874 1.00 61.09 ? ? ? ? ? ? 618 LEU A CG 1 -ATOM 4788 C CD1 . LEU A 1 618 ? 61.785 58.131 23.543 1.00 59.97 ? ? ? ? ? ? 618 LEU A CD1 1 -ATOM 4789 C CD2 . LEU A 1 618 ? 61.109 59.616 25.465 1.00 61.67 ? ? ? ? ? ? 618 LEU A CD2 1 -ATOM 4790 N N . GLY A 1 619 ? 56.381 57.909 23.758 1.00 59.59 ? ? ? ? ? ? 619 GLY A N 1 -ATOM 4791 C CA . GLY A 1 619 ? 55.374 57.369 22.861 1.00 58.56 ? ? ? ? ? ? 619 GLY A CA 1 -ATOM 4792 C C . GLY A 1 619 ? 55.668 55.929 22.507 1.00 57.37 ? ? ? ? ? ? 619 GLY A C 1 -ATOM 4793 O O . GLY A 1 619 ? 55.488 55.507 21.362 1.00 58.06 ? ? ? ? ? ? 619 GLY A O 1 -ATOM 4794 N N . ILE A 1 620 ? 56.111 55.171 23.502 1.00 55.19 ? ? ? ? ? ? 620 ILE A N 1 -ATOM 4795 C CA . ILE A 1 620 ? 56.449 53.773 23.311 1.00 54.04 ? ? ? ? ? ? 620 ILE A CA 1 -ATOM 4796 C C . ILE A 1 620 ? 55.855 53.017 24.500 1.00 54.07 ? ? ? ? ? ? 620 ILE A C 1 -ATOM 4797 O O . ILE A 1 620 ? 55.955 53.486 25.639 1.00 54.86 ? ? ? ? ? ? 620 ILE A O 1 -ATOM 4798 C CB . ILE A 1 620 ? 57.999 53.597 23.309 1.00 54.28 ? ? ? ? ? ? 620 ILE A CB 1 -ATOM 4799 C CG1 . ILE A 1 620 ? 58.633 54.547 22.288 1.00 54.06 ? ? ? ? ? ? 620 ILE A CG1 1 -ATOM 4800 C CG2 . ILE A 1 620 ? 58.392 52.150 22.987 1.00 52.35 ? ? ? ? ? ? 620 ILE A CG2 1 -ATOM 4801 C CD1 . ILE A 1 620 ? 60.101 54.854 22.548 1.00 54.24 ? ? ? ? ? ? 620 ILE A CD1 1 -ATOM 4802 N N . GLU A 1 621 ? 55.181 51.895 24.240 1.00 52.81 ? ? ? ? ? ? 621 GLU A N 1 -ATOM 4803 C CA . GLU A 1 621 ? 54.610 51.090 25.325 1.00 50.84 ? ? ? ? ? ? 621 GLU A CA 1 -ATOM 4804 C C . GLU A 1 621 ? 55.050 49.644 25.186 1.00 48.40 ? ? ? ? ? ? 621 GLU A C 1 -ATOM 4805 O O . GLU A 1 621 ? 55.555 49.229 24.141 1.00 47.52 ? ? ? ? ? ? 621 GLU A O 1 -ATOM 4806 C CB . GLU A 1 621 ? 53.070 51.161 25.362 1.00 52.69 ? ? ? ? ? ? 621 GLU A CB 1 -ATOM 4807 C CG . GLU A 1 621 ? 52.445 51.786 26.658 1.00 53.48 ? ? ? ? ? ? 621 GLU A CG 1 -ATOM 4808 C CD . GLU A 1 621 ? 52.533 50.913 27.934 1.00 52.89 ? ? ? ? ? ? 621 GLU A CD 1 -ATOM 4809 O OE1 . GLU A 1 621 ? 53.653 50.565 28.367 1.00 53.28 ? ? ? ? ? ? 621 GLU A OE1 1 -ATOM 4810 O OE2 . GLU A 1 621 ? 51.474 50.615 28.534 1.00 51.74 ? ? ? ? ? ? 621 GLU A OE2 1 -ATOM 4811 N N . ASP A 1 622 ? 54.876 48.905 26.274 1.00 46.37 ? ? ? ? ? ? 622 ASP A N 1 -ATOM 4812 C CA . ASP A 1 622 ? 55.213 47.492 26.378 1.00 44.77 ? ? ? ? ? ? 622 ASP A CA 1 -ATOM 4813 C C . ASP A 1 622 ? 54.781 46.759 25.089 1.00 42.88 ? ? ? ? ? ? 622 ASP A C 1 -ATOM 4814 O O . ASP A 1 622 ? 53.788 47.128 24.468 1.00 42.55 ? ? ? ? ? ? 622 ASP A O 1 -ATOM 4815 C CB . ASP A 1 622 ? 54.463 46.920 27.603 1.00 45.41 ? ? ? ? ? ? 622 ASP A CB 1 -ATOM 4816 C CG . ASP A 1 622 ? 55.211 45.782 28.310 1.00 47.61 ? ? ? ? ? ? 622 ASP A CG 1 -ATOM 4817 O OD1 . ASP A 1 622 ? 56.273 45.328 27.831 1.00 48.61 ? ? ? ? ? ? 622 ASP A OD1 1 -ATOM 4818 O OD2 . ASP A 1 622 ? 54.721 45.332 29.372 1.00 47.77 ? ? ? ? ? ? 622 ASP A OD2 1 -ATOM 4819 N N . GLU A 1 623 ? 55.579 45.782 24.664 1.00 40.52 ? ? ? ? ? ? 623 GLU A N 1 -ATOM 4820 C CA . GLU A 1 623 ? 55.307 44.952 23.487 1.00 38.00 ? ? ? ? ? ? 623 GLU A CA 1 -ATOM 4821 C C . GLU A 1 623 ? 55.262 45.597 22.104 1.00 37.21 ? ? ? ? ? ? 623 GLU A C 1 -ATOM 4822 O O . GLU A 1 623 ? 54.965 44.931 21.115 1.00 37.21 ? ? ? ? ? ? 623 GLU A O 1 -ATOM 4823 C CB . GLU A 1 623 ? 54.041 44.134 23.707 1.00 37.07 ? ? ? ? ? ? 623 GLU A CB 1 -ATOM 4824 C CG . GLU A 1 623 ? 54.021 43.424 25.045 1.00 37.06 ? ? ? ? ? ? 623 GLU A CG 1 -ATOM 4825 C CD . GLU A 1 623 ? 55.313 42.719 25.343 1.00 36.37 ? ? ? ? ? ? 623 GLU A CD 1 -ATOM 4826 O OE1 . GLU A 1 623 ? 55.769 41.929 24.494 1.00 37.13 ? ? ? ? ? ? 623 GLU A OE1 1 -ATOM 4827 O OE2 . GLU A 1 623 ? 55.881 42.964 26.422 1.00 37.11 ? ? ? ? ? ? 623 GLU A OE2 1 -ATOM 4828 N N . ALA A 1 624 ? 55.629 46.862 22.012 1.00 35.99 ? ? ? ? ? ? 624 ALA A N 1 -ATOM 4829 C CA . ALA A 1 624 ? 55.596 47.535 20.732 1.00 34.23 ? ? ? ? ? ? 624 ALA A CA 1 -ATOM 4830 C C . ALA A 1 624 ? 56.920 47.448 19.996 1.00 34.28 ? ? ? ? ? ? 624 ALA A C 1 -ATOM 4831 O O . ALA A 1 624 ? 57.992 47.603 20.601 1.00 33.55 ? ? ? ? ? ? 624 ALA A O 1 -ATOM 4832 C CB . ALA A 1 624 ? 55.206 48.985 20.932 1.00 34.87 ? ? ? ? ? ? 624 ALA A CB 1 -ATOM 4833 N N . LEU A 1 625 ? 56.847 47.184 18.692 1.00 33.70 ? ? ? ? ? ? 625 LEU A N 1 -ATOM 4834 C CA . LEU A 1 625 ? 58.047 47.125 17.863 1.00 33.19 ? ? ? ? ? ? 625 LEU A CA 1 -ATOM 4835 C C . LEU A 1 625 ? 58.546 48.549 17.728 1.00 33.70 ? ? ? ? ? ? 625 LEU A C 1 -ATOM 4836 O O . LEU A 1 625 ? 57.767 49.467 17.479 1.00 35.82 ? ? ? ? ? ? 625 LEU A O 1 -ATOM 4837 C CB . LEU A 1 625 ? 57.744 46.503 16.506 1.00 32.45 ? ? ? ? ? ? 625 LEU A CB 1 -ATOM 4838 C CG . LEU A 1 625 ? 57.515 44.988 16.593 1.00 32.59 ? ? ? ? ? ? 625 LEU A CG 1 -ATOM 4839 C CD1 . LEU A 1 625 ? 57.312 44.405 15.214 1.00 32.06 ? ? ? ? ? ? 625 LEU A CD1 1 -ATOM 4840 C CD2 . LEU A 1 625 ? 58.705 44.324 17.274 1.00 31.81 ? ? ? ? ? ? 625 LEU A CD2 1 -ATOM 4841 N N . VAL A 1 626 ? 59.846 48.731 17.880 1.00 33.80 ? ? ? ? ? ? 626 VAL A N 1 -ATOM 4842 C CA . VAL A 1 626 ? 60.470 50.045 17.861 1.00 33.01 ? ? ? ? ? ? 626 VAL A CA 1 -ATOM 4843 C C . VAL A 1 626 ? 61.792 50.003 17.052 1.00 34.32 ? ? ? ? ? ? 626 VAL A C 1 -ATOM 4844 O O . VAL A 1 626 ? 62.288 48.927 16.687 1.00 34.44 ? ? ? ? ? ? 626 VAL A O 1 -ATOM 4845 C CB . VAL A 1 626 ? 60.686 50.477 19.362 1.00 30.48 ? ? ? ? ? ? 626 VAL A CB 1 -ATOM 4846 C CG1 . VAL A 1 626 ? 61.887 49.789 19.966 1.00 28.85 ? ? ? ? ? ? 626 VAL A CG1 1 -ATOM 4847 C CG2 . VAL A 1 626 ? 60.786 51.951 19.512 1.00 30.53 ? ? ? ? ? ? 626 VAL A CG2 1 -ATOM 4848 N N . TRP A 1 627 ? 62.318 51.164 16.691 1.00 36.57 ? ? ? ? ? ? 627 TRP A N 1 -ATOM 4849 C CA . TRP A 1 627 ? 63.576 51.219 15.945 1.00 39.36 ? ? ? ? ? ? 627 TRP A CA 1 -ATOM 4850 C C . TRP A 1 627 ? 64.723 51.798 16.784 1.00 39.29 ? ? ? ? ? ? 627 TRP A C 1 -ATOM 4851 O O . TRP A 1 627 ? 64.521 52.694 17.615 1.00 40.74 ? ? ? ? ? ? 627 TRP A O 1 -ATOM 4852 C CB . TRP A 1 627 ? 63.436 52.020 14.647 1.00 40.27 ? ? ? ? ? ? 627 TRP A CB 1 -ATOM 4853 C CG . TRP A 1 627 ? 62.754 51.271 13.559 1.00 42.07 ? ? ? ? ? ? 627 TRP A CG 1 -ATOM 4854 C CD1 . TRP A 1 627 ? 61.432 51.344 13.220 1.00 42.26 ? ? ? ? ? ? 627 TRP A CD1 1 -ATOM 4855 C CD2 . TRP A 1 627 ? 63.348 50.325 12.655 1.00 42.28 ? ? ? ? ? ? 627 TRP A CD2 1 -ATOM 4856 N NE1 . TRP A 1 627 ? 61.163 50.501 12.165 1.00 42.74 ? ? ? ? ? ? 627 TRP A NE1 1 -ATOM 4857 C CE2 . TRP A 1 627 ? 62.321 49.865 11.796 1.00 42.12 ? ? ? ? ? ? 627 TRP A CE2 1 -ATOM 4858 C CE3 . TRP A 1 627 ? 64.645 49.823 12.485 1.00 42.94 ? ? ? ? ? ? 627 TRP A CE3 1 -ATOM 4859 C CZ2 . TRP A 1 627 ? 62.551 48.929 10.786 1.00 41.62 ? ? ? ? ? ? 627 TRP A CZ2 1 -ATOM 4860 C CZ3 . TRP A 1 627 ? 64.875 48.884 11.470 1.00 42.23 ? ? ? ? ? ? 627 TRP A CZ3 1 -ATOM 4861 C CH2 . TRP A 1 627 ? 63.831 48.451 10.639 1.00 42.03 ? ? ? ? ? ? 627 TRP A CH2 1 -ATOM 4862 N N . VAL A 1 628 ? 65.927 51.306 16.526 1.00 38.53 ? ? ? ? ? ? 628 VAL A N 1 -ATOM 4863 C CA . VAL A 1 628 ? 67.109 51.756 17.250 1.00 36.83 ? ? ? ? ? ? 628 VAL A CA 1 -ATOM 4864 C C . VAL A 1 628 ? 68.099 52.163 16.180 1.00 35.81 ? ? ? ? ? ? 628 VAL A C 1 -ATOM 4865 O O . VAL A 1 628 ? 68.548 51.329 15.408 1.00 32.95 ? ? ? ? ? ? 628 VAL A O 1 -ATOM 4866 C CB . VAL A 1 628 ? 67.759 50.631 18.084 1.00 37.46 ? ? ? ? ? ? 628 VAL A CB 1 -ATOM 4867 C CG1 . VAL A 1 628 ? 68.558 51.239 19.243 1.00 37.48 ? ? ? ? ? ? 628 VAL A CG1 1 -ATOM 4868 C CG2 . VAL A 1 628 ? 66.717 49.679 18.597 1.00 36.72 ? ? ? ? ? ? 628 VAL A CG2 1 -ATOM 4869 N N . HIS A 1 629 ? 68.412 53.449 16.114 1.00 35.84 ? ? ? ? ? ? 629 HIS A N 1 -ATOM 4870 C CA . HIS A 1 629 ? 69.336 53.950 15.109 1.00 35.56 ? ? ? ? ? ? 629 HIS A CA 1 -ATOM 4871 C C . HIS A 1 629 ? 70.717 54.210 15.676 1.00 34.23 ? ? ? ? ? ? 629 HIS A C 1 -ATOM 4872 O O . HIS A 1 629 ? 70.860 54.423 16.888 1.00 33.37 ? ? ? ? ? ? 629 HIS A O 1 -ATOM 4873 C CB . HIS A 1 629 ? 68.760 55.206 14.468 1.00 37.75 ? ? ? ? ? ? 629 HIS A CB 1 -ATOM 4874 C CG . HIS A 1 629 ? 67.546 54.933 13.636 1.00 39.95 ? ? ? ? ? ? 629 HIS A CG 1 -ATOM 4875 N ND1 . HIS A 1 629 ? 66.447 54.252 14.118 1.00 41.05 ? ? ? ? ? ? 629 HIS A ND1 1 -ATOM 4876 C CD2 . HIS A 1 629 ? 67.271 55.226 12.344 1.00 40.42 ? ? ? ? ? ? 629 HIS A CD2 1 -ATOM 4877 C CE1 . HIS A 1 629 ? 65.553 54.126 13.148 1.00 39.84 ? ? ? ? ? ? 629 HIS A CE1 1 -ATOM 4878 N NE2 . HIS A 1 629 ? 66.029 54.710 12.067 1.00 40.76 ? ? ? ? ? ? 629 HIS A NE2 1 -ATOM 4879 N N . SER A 1 630 ? 71.707 54.270 14.785 1.00 32.64 ? ? ? ? ? ? 630 SER A N 1 -ATOM 4880 C CA . SER A 1 630 ? 73.100 54.484 15.181 1.00 32.73 ? ? ? ? ? ? 630 SER A CA 1 -ATOM 4881 C C . SER A 1 630 ? 74.050 54.739 13.997 1.00 31.70 ? ? ? ? ? ? 630 SER A C 1 -ATOM 4882 O O . SER A 1 630 ? 73.777 54.380 12.844 1.00 32.43 ? ? ? ? ? ? 630 SER A O 1 -ATOM 4883 C CB . SER A 1 630 ? 73.614 53.286 16.011 1.00 32.08 ? ? ? ? ? ? 630 SER A CB 1 -ATOM 4884 O OG . SER A 1 630 ? 74.826 52.739 15.498 1.00 30.28 ? ? ? ? ? ? 630 SER A OG 1 -ATOM 4885 N N . ARG A 1 631 ? 75.169 55.367 14.316 1.00 29.32 ? ? ? ? ? ? 631 ARG A N 1 -ATOM 4886 C CA . ARG A 1 631 ? 76.205 55.650 13.348 1.00 30.23 ? ? ? ? ? ? 631 ARG A CA 1 -ATOM 4887 C C . ARG A 1 631 ? 76.615 54.353 12.630 1.00 30.24 ? ? ? ? ? ? 631 ARG A C 1 -ATOM 4888 O O . ARG A 1 631 ? 77.055 54.371 11.473 1.00 30.83 ? ? ? ? ? ? 631 ARG A O 1 -ATOM 4889 C CB . ARG A 1 631 ? 77.385 56.274 14.099 1.00 31.35 ? ? ? ? ? ? 631 ARG A CB 1 -ATOM 4890 C CG . ARG A 1 631 ? 76.882 57.376 15.031 1.00 32.98 ? ? ? ? ? ? 631 ARG A CG 1 -ATOM 4891 C CD . ARG A 1 631 ? 77.917 58.068 15.871 1.00 34.57 ? ? ? ? ? ? 631 ARG A CD 1 -ATOM 4892 N NE . ARG A 1 631 ? 77.262 59.109 16.660 1.00 35.40 ? ? ? ? ? ? 631 ARG A NE 1 -ATOM 4893 C CZ . ARG A 1 631 ? 77.878 59.940 17.491 1.00 37.16 ? ? ? ? ? ? 631 ARG A CZ 1 -ATOM 4894 N NH1 . ARG A 1 631 ? 79.196 59.874 17.657 1.00 39.06 ? ? ? ? ? ? 631 ARG A NH1 1 -ATOM 4895 N NH2 . ARG A 1 631 ? 77.164 60.812 18.191 1.00 37.63 ? ? ? ? ? ? 631 ARG A NH2 1 -ATOM 4896 N N . LYS A 1 632 ? 76.480 53.235 13.334 1.00 30.05 ? ? ? ? ? ? 632 LYS A N 1 -ATOM 4897 C CA . LYS A 1 632 ? 76.822 51.922 12.786 1.00 29.43 ? ? ? ? ? ? 632 LYS A CA 1 -ATOM 4898 C C . LYS A 1 632 ? 75.613 51.235 12.165 1.00 28.57 ? ? ? ? ? ? 632 LYS A C 1 -ATOM 4899 O O . LYS A 1 632 ? 75.765 50.396 11.268 1.00 27.39 ? ? ? ? ? ? 632 LYS A O 1 -ATOM 4900 C CB . LYS A 1 632 ? 77.415 51.032 13.881 1.00 29.22 ? ? ? ? ? ? 632 LYS A CB 1 -ATOM 4901 C CG . LYS A 1 632 ? 78.632 51.633 14.519 1.00 27.69 ? ? ? ? ? ? 632 LYS A CG 1 -ATOM 4902 C CD . LYS A 1 632 ? 79.706 51.796 13.482 1.00 29.45 ? ? ? ? ? ? 632 LYS A CD 1 -ATOM 4903 C CE . LYS A 1 632 ? 80.381 53.138 13.558 1.00 29.99 ? ? ? ? ? ? 632 LYS A CE 1 -ATOM 4904 N NZ . LYS A 1 632 ? 81.646 53.073 12.776 1.00 28.84 ? ? ? ? ? ? 632 LYS A NZ 1 -ATOM 4905 N N . GLY A 1 633 ? 74.415 51.631 12.603 1.00 28.26 ? ? ? ? ? ? 633 GLY A N 1 -ATOM 4906 C CA . GLY A 1 633 ? 73.214 51.013 12.067 1.00 28.39 ? ? ? ? ? ? 633 GLY A CA 1 -ATOM 4907 C C . GLY A 1 633 ? 71.894 51.541 12.585 1.00 28.46 ? ? ? ? ? ? 633 GLY A C 1 -ATOM 4908 O O . GLY A 1 633 ? 71.784 52.665 13.078 1.00 28.42 ? ? ? ? ? ? 633 GLY A O 1 -ATOM 4909 N N . LYS A 1 634 ? 70.875 50.704 12.449 1.00 29.29 ? ? ? ? ? ? 634 LYS A N 1 -ATOM 4910 C CA . LYS A 1 634 ? 69.523 51.020 12.875 1.00 31.05 ? ? ? ? ? ? 634 LYS A CA 1 -ATOM 4911 C C . LYS A 1 634 ? 68.858 49.640 12.963 1.00 32.23 ? ? ? ? ? ? 634 LYS A C 1 -ATOM 4912 O O . LYS A 1 634 ? 68.717 48.931 11.952 1.00 32.89 ? ? ? ? ? ? 634 LYS A O 1 -ATOM 4913 C CB . LYS A 1 634 ? 68.843 51.936 11.840 1.00 31.84 ? ? ? ? ? ? 634 LYS A CB 1 -ATOM 4914 C CG . LYS A 1 634 ? 67.323 51.814 11.748 1.00 32.80 ? ? ? ? ? ? 634 LYS A CG 1 -ATOM 4915 C CD . LYS A 1 634 ? 66.785 52.443 10.473 1.00 32.56 ? ? ? ? ? ? 634 LYS A CD 1 -ATOM 4916 C CE . LYS A 1 634 ? 65.254 52.470 10.479 1.00 32.43 ? ? ? ? ? ? 634 LYS A CE 1 -ATOM 4917 N NZ . LYS A 1 634 ? 64.699 53.542 9.591 1.00 32.95 ? ? ? ? ? ? 634 LYS A NZ 1 -ATOM 4918 N N . ILE A 1 635 ? 68.630 49.200 14.201 1.00 32.64 ? ? ? ? ? ? 635 ILE A N 1 -ATOM 4919 C CA . ILE A 1 635 ? 68.044 47.897 14.494 1.00 30.92 ? ? ? ? ? ? 635 ILE A CA 1 -ATOM 4920 C C . ILE A 1 635 ? 66.553 47.971 14.886 1.00 30.81 ? ? ? ? ? ? 635 ILE A C 1 -ATOM 4921 O O . ILE A 1 635 ? 66.061 49.030 15.288 1.00 28.57 ? ? ? ? ? ? 635 ILE A O 1 -ATOM 4922 C CB . ILE A 1 635 ? 68.929 47.183 15.571 1.00 29.51 ? ? ? ? ? ? 635 ILE A CB 1 -ATOM 4923 C CG1 . ILE A 1 635 ? 70.004 46.371 14.878 1.00 29.98 ? ? ? ? ? ? 635 ILE A CG1 1 -ATOM 4924 C CG2 . ILE A 1 635 ? 68.124 46.335 16.526 1.00 28.89 ? ? ? ? ? ? 635 ILE A CG2 1 -ATOM 4925 C CD1 . ILE A 1 635 ? 69.453 45.453 13.817 1.00 31.30 ? ? ? ? ? ? 635 ILE A CD1 1 -ATOM 4926 N N . ILE A 1 636 ? 65.843 46.862 14.682 1.00 30.82 ? ? ? ? ? ? 636 ILE A N 1 -ATOM 4927 C CA . ILE A 1 636 ? 64.426 46.769 15.026 1.00 31.80 ? ? ? ? ? ? 636 ILE A CA 1 -ATOM 4928 C C . ILE A 1 636 ? 64.350 45.854 16.243 1.00 32.05 ? ? ? ? ? ? 636 ILE A C 1 -ATOM 4929 O O . ILE A 1 636 ? 65.105 44.876 16.312 1.00 30.59 ? ? ? ? ? ? 636 ILE A O 1 -ATOM 4930 C CB . ILE A 1 636 ? 63.601 46.165 13.839 1.00 31.81 ? ? ? ? ? ? 636 ILE A CB 1 -ATOM 4931 C CG1 . ILE A 1 636 ? 62.116 46.512 13.970 1.00 31.48 ? ? ? ? ? ? 636 ILE A CG1 1 -ATOM 4932 C CG2 . ILE A 1 636 ? 63.750 44.645 13.795 1.00 33.00 ? ? ? ? ? ? 636 ILE A CG2 1 -ATOM 4933 C CD1 . ILE A 1 636 ? 61.301 45.507 14.755 1.00 31.15 ? ? ? ? ? ? 636 ILE A CD1 1 -ATOM 4934 N N . THR A 1 637 ? 63.524 46.228 17.228 1.00 32.28 ? ? ? ? ? ? 637 THR A N 1 -ATOM 4935 C CA . THR A 1 637 ? 63.322 45.423 18.448 1.00 32.68 ? ? ? ? ? ? 637 THR A CA 1 -ATOM 4936 C C . THR A 1 637 ? 61.970 45.693 19.054 1.00 33.05 ? ? ? ? ? ? 637 THR A C 1 -ATOM 4937 O O . THR A 1 637 ? 61.275 46.604 18.633 1.00 32.70 ? ? ? ? ? ? 637 THR A O 1 -ATOM 4938 C CB . THR A 1 637 ? 64.307 45.745 19.560 1.00 31.42 ? ? ? ? ? ? 637 THR A CB 1 -ATOM 4939 O OG1 . THR A 1 637 ? 64.347 47.157 19.759 1.00 33.38 ? ? ? ? ? ? 637 THR A OG1 1 -ATOM 4940 C CG2 . THR A 1 637 ? 65.651 45.220 19.234 1.00 31.12 ? ? ? ? ? ? 637 THR A CG2 1 -ATOM 4941 N N . ARG A 1 638 ? 61.577 44.858 20.008 1.00 34.96 ? ? ? ? ? ? 638 ARG A N 1 -ATOM 4942 C CA . ARG A 1 638 ? 60.309 45.039 20.702 1.00 36.14 ? ? ? ? ? ? 638 ARG A CA 1 -ATOM 4943 C C . ARG A 1 638 ? 60.642 45.733 22.007 1.00 37.28 ? ? ? ? ? ? 638 ARG A C 1 -ATOM 4944 O O . ARG A 1 638 ? 61.638 45.412 22.657 1.00 37.74 ? ? ? ? ? ? 638 ARG A O 1 -ATOM 4945 C CB . ARG A 1 638 ? 59.632 43.699 20.977 1.00 35.95 ? ? ? ? ? ? 638 ARG A CB 1 -ATOM 4946 C CG . ARG A 1 638 ? 58.539 43.775 22.032 1.00 34.72 ? ? ? ? ? ? 638 ARG A CG 1 -ATOM 4947 C CD . ARG A 1 638 ? 57.520 42.677 21.855 1.00 34.34 ? ? ? ? ? ? 638 ARG A CD 1 -ATOM 4948 N NE . ARG A 1 638 ? 56.760 42.853 20.621 1.00 34.77 ? ? ? ? ? ? 638 ARG A NE 1 -ATOM 4949 C CZ . ARG A 1 638 ? 57.018 42.212 19.489 1.00 34.92 ? ? ? ? ? ? 638 ARG A CZ 1 -ATOM 4950 N NH1 . ARG A 1 638 ? 58.016 41.344 19.434 1.00 37.16 ? ? ? ? ? ? 638 ARG A NH1 1 -ATOM 4951 N NH2 . ARG A 1 638 ? 56.306 42.461 18.402 1.00 34.89 ? ? ? ? ? ? 638 ARG A NH2 1 -ATOM 4952 N N . ALA A 1 639 ? 59.842 46.723 22.363 1.00 37.68 ? ? ? ? ? ? 639 ALA A N 1 -ATOM 4953 C CA . ALA A 1 639 ? 60.076 47.460 23.587 1.00 37.67 ? ? ? ? ? ? 639 ALA A CA 1 -ATOM 4954 C C . ALA A 1 639 ? 59.567 46.676 24.786 1.00 38.44 ? ? ? ? ? ? 639 ALA A C 1 -ATOM 4955 O O . ALA A 1 639 ? 58.910 45.636 24.647 1.00 38.78 ? ? ? ? ? ? 639 ALA A O 1 -ATOM 4956 C CB . ALA A 1 639 ? 59.373 48.789 23.510 1.00 38.54 ? ? ? ? ? ? 639 ALA A CB 1 -ATOM 4957 N N . GLN A 1 640 ? 59.936 47.140 25.968 1.00 38.38 ? ? ? ? ? ? 640 GLN A N 1 -ATOM 4958 C CA . GLN A 1 640 ? 59.466 46.537 27.198 1.00 39.14 ? ? ? ? ? ? 640 GLN A CA 1 -ATOM 4959 C C . GLN A 1 640 ? 59.702 47.563 28.256 1.00 38.50 ? ? ? ? ? ? 640 GLN A C 1 -ATOM 4960 O O . GLN A 1 640 ? 60.781 47.641 28.852 1.00 37.93 ? ? ? ? ? ? 640 GLN A O 1 -ATOM 4961 C CB . GLN A 1 640 ? 60.147 45.213 27.555 1.00 41.08 ? ? ? ? ? ? 640 GLN A CB 1 -ATOM 4962 C CG . GLN A 1 640 ? 59.360 44.453 28.619 1.00 43.02 ? ? ? ? ? ? 640 GLN A CG 1 -ATOM 4963 C CD . GLN A 1 640 ? 59.856 43.046 28.836 1.00 46.83 ? ? ? ? ? ? 640 GLN A CD 1 -ATOM 4964 O OE1 . GLN A 1 640 ? 59.163 42.064 28.527 1.00 48.51 ? ? ? ? ? ? 640 GLN A OE1 1 -ATOM 4965 N NE2 . GLN A 1 640 ? 61.052 42.927 29.402 1.00 47.36 ? ? ? ? ? ? 640 GLN A NE2 1 -ATOM 4966 N N . VAL A 1 641 ? 58.707 48.432 28.382 1.00 38.67 ? ? ? ? ? ? 641 VAL A N 1 -ATOM 4967 C CA . VAL A 1 641 ? 58.737 49.517 29.341 1.00 37.07 ? ? ? ? ? ? 641 VAL A CA 1 -ATOM 4968 C C . VAL A 1 641 ? 58.566 48.933 30.735 1.00 36.50 ? ? ? ? ? ? 641 VAL A C 1 -ATOM 4969 O O . VAL A 1 641 ? 57.767 48.023 30.943 1.00 35.96 ? ? ? ? ? ? 641 VAL A O 1 -ATOM 4970 C CB . VAL A 1 641 ? 57.652 50.562 29.027 1.00 35.04 ? ? ? ? ? ? 641 VAL A CB 1 -ATOM 4971 C CG1 . VAL A 1 641 ? 57.792 51.731 29.957 1.00 35.62 ? ? ? ? ? ? 641 VAL A CG1 1 -ATOM 4972 C CG2 . VAL A 1 641 ? 57.792 51.039 27.592 1.00 34.45 ? ? ? ? ? ? 641 VAL A CG2 1 -ATOM 4973 N N . SER A 1 642 ? 59.400 49.399 31.656 1.00 36.49 ? ? ? ? ? ? 642 SER A N 1 -ATOM 4974 C CA . SER A 1 642 ? 59.372 48.945 33.032 1.00 36.92 ? ? ? ? ? ? 642 SER A CA 1 -ATOM 4975 C C . SER A 1 642 ? 60.189 49.914 33.846 1.00 37.01 ? ? ? ? ? ? 642 SER A C 1 -ATOM 4976 O O . SER A 1 642 ? 60.838 50.808 33.304 1.00 36.61 ? ? ? ? ? ? 642 SER A O 1 -ATOM 4977 C CB . SER A 1 642 ? 59.989 47.554 33.155 1.00 38.04 ? ? ? ? ? ? 642 SER A CB 1 -ATOM 4978 O OG . SER A 1 642 ? 61.392 47.587 32.922 1.00 39.87 ? ? ? ? ? ? 642 SER A OG 1 -ATOM 4979 N N . ASP A 1 643 ? 60.123 49.752 35.160 1.00 39.11 ? ? ? ? ? ? 643 ASP A N 1 -ATOM 4980 C CA . ASP A 1 643 ? 60.850 50.599 36.110 1.00 40.62 ? ? ? ? ? ? 643 ASP A CA 1 -ATOM 4981 C C . ASP A 1 643 ? 62.240 50.080 36.433 1.00 40.18 ? ? ? ? ? ? 643 ASP A C 1 -ATOM 4982 O O . ASP A 1 643 ? 62.873 50.569 37.362 1.00 41.01 ? ? ? ? ? ? 643 ASP A O 1 -ATOM 4983 C CB . ASP A 1 643 ? 60.071 50.715 37.425 1.00 41.38 ? ? ? ? ? ? 643 ASP A CB 1 -ATOM 4984 C CG . ASP A 1 643 ? 58.991 51.751 37.363 1.00 42.14 ? ? ? ? ? ? 643 ASP A CG 1 -ATOM 4985 O OD1 . ASP A 1 643 ? 59.322 52.948 37.357 1.00 44.88 ? ? ? ? ? ? 643 ASP A OD1 1 -ATOM 4986 O OD2 . ASP A 1 643 ? 57.808 51.380 37.300 1.00 45.47 ? ? ? ? ? ? 643 ASP A OD2 1 -ATOM 4987 N N . ARG A 1 644 ? 62.684 49.054 35.720 1.00 39.40 ? ? ? ? ? ? 644 ARG A N 1 -ATOM 4988 C CA . ARG A 1 644 ? 63.998 48.494 35.981 1.00 38.19 ? ? ? ? ? ? 644 ARG A CA 1 -ATOM 4989 C C . ARG A 1 644 ? 65.151 49.241 35.274 1.00 36.62 ? ? ? ? ? ? 644 ARG A C 1 -ATOM 4990 O O . ARG A 1 644 ? 66.147 49.606 35.913 1.00 35.67 ? ? ? ? ? ? 644 ARG A O 1 -ATOM 4991 C CB . ARG A 1 644 ? 63.973 46.987 35.736 1.00 38.48 ? ? ? ? ? ? 644 ARG A CB 1 -ATOM 4992 C CG . ARG A 1 644 ? 63.175 46.247 36.813 1.00 38.21 ? ? ? ? ? ? 644 ARG A CG 1 -ATOM 4993 C CD . ARG A 1 644 ? 63.101 44.756 36.553 1.00 41.39 ? ? ? ? ? ? 644 ARG A CD 1 -ATOM 4994 N NE . ARG A 1 644 ? 62.998 43.966 37.786 1.00 43.97 ? ? ? ? ? ? 644 ARG A NE 1 -ATOM 4995 C CZ . ARG A 1 644 ? 63.905 43.065 38.184 1.00 44.56 ? ? ? ? ? ? 644 ARG A CZ 1 -ATOM 4996 N NH1 . ARG A 1 644 ? 64.997 42.835 37.452 1.00 43.04 ? ? ? ? ? ? 644 ARG A NH1 1 -ATOM 4997 N NH2 . ARG A 1 644 ? 63.710 42.370 39.304 1.00 43.68 ? ? ? ? ? ? 644 ARG A NH2 1 -ATOM 4998 N N . PRO A 1 645 ? 65.039 49.483 33.957 1.00 34.58 ? ? ? ? ? ? 645 PRO A N 1 -ATOM 4999 C CA . PRO A 1 645 ? 66.142 50.207 33.331 1.00 33.90 ? ? ? ? ? ? 645 PRO A CA 1 -ATOM 5000 C C . PRO A 1 645 ? 66.172 51.617 33.911 1.00 33.94 ? ? ? ? ? ? 645 PRO A C 1 -ATOM 5001 O O . PRO A 1 645 ? 65.132 52.181 34.252 1.00 35.04 ? ? ? ? ? ? 645 PRO A O 1 -ATOM 5002 C CB . PRO A 1 645 ? 65.767 50.200 31.845 1.00 32.74 ? ? ? ? ? ? 645 PRO A CB 1 -ATOM 5003 C CG . PRO A 1 645 ? 64.315 50.127 31.864 1.00 33.97 ? ? ? ? ? ? 645 PRO A CG 1 -ATOM 5004 C CD . PRO A 1 645 ? 64.027 49.124 32.956 1.00 34.62 ? ? ? ? ? ? 645 PRO A CD 1 -ATOM 5005 N N . ASN A 1 646 ? 67.372 52.160 34.054 1.00 33.66 ? ? ? ? ? ? 646 ASN A N 1 -ATOM 5006 C CA . ASN A 1 646 ? 67.585 53.481 34.605 1.00 32.35 ? ? ? ? ? ? 646 ASN A CA 1 -ATOM 5007 C C . ASN A 1 646 ? 67.208 54.509 33.562 1.00 32.96 ? ? ? ? ? ? 646 ASN A C 1 -ATOM 5008 O O . ASN A 1 646 ? 67.709 54.480 32.432 1.00 32.85 ? ? ? ? ? ? 646 ASN A O 1 -ATOM 5009 C CB . ASN A 1 646 ? 69.051 53.648 34.939 1.00 32.71 ? ? ? ? ? ? 646 ASN A CB 1 -ATOM 5010 C CG . ASN A 1 646 ? 69.914 53.558 33.710 1.00 34.42 ? ? ? ? ? ? 646 ASN A CG 1 -ATOM 5011 O OD1 . ASN A 1 646 ? 69.942 52.524 33.051 1.00 36.03 ? ? ? ? ? ? 646 ASN A OD1 1 -ATOM 5012 N ND2 . ASN A 1 646 ? 70.548 54.663 33.338 1.00 32.78 ? ? ? ? ? ? 646 ASN A ND2 1 -ATOM 5013 N N . LYS A 1 647 ? 66.356 55.443 33.971 1.00 33.98 ? ? ? ? ? ? 647 LYS A N 1 -ATOM 5014 C CA . LYS A 1 647 ? 65.866 56.514 33.115 1.00 34.07 ? ? ? ? ? ? 647 LYS A CA 1 -ATOM 5015 C C . LYS A 1 647 ? 67.054 57.140 32.458 1.00 31.86 ? ? ? ? ? ? 647 LYS A C 1 -ATOM 5016 O O . LYS A 1 647 ? 67.961 57.564 33.144 1.00 32.14 ? ? ? ? ? ? 647 LYS A O 1 -ATOM 5017 C CB . LYS A 1 647 ? 65.124 57.547 33.968 1.00 37.74 ? ? ? ? ? ? 647 LYS A CB 1 -ATOM 5018 C CG . LYS A 1 647 ? 64.252 58.564 33.197 1.00 40.33 ? ? ? ? ? ? 647 LYS A CG 1 -ATOM 5019 C CD . LYS A 1 647 ? 63.075 59.020 34.067 1.00 40.85 ? ? ? ? ? ? 647 LYS A CD 1 -ATOM 5020 C CE . LYS A 1 647 ? 62.222 60.037 33.346 1.00 42.76 ? ? ? ? ? ? 647 LYS A CE 1 -ATOM 5021 N NZ . LYS A 1 647 ? 60.891 60.309 34.004 1.00 41.95 ? ? ? ? ? ? 647 LYS A NZ 1 -ATOM 5022 N N . GLY A 1 648 ? 67.080 57.114 31.130 1.00 31.19 ? ? ? ? ? ? 648 GLY A N 1 -ATOM 5023 C CA . GLY A 1 648 ? 68.199 57.684 30.397 1.00 30.20 ? ? ? ? ? ? 648 GLY A CA 1 -ATOM 5024 C C . GLY A 1 648 ? 68.933 56.661 29.550 1.00 30.33 ? ? ? ? ? ? 648 GLY A C 1 -ATOM 5025 O O . GLY A 1 648 ? 69.557 57.009 28.546 1.00 30.62 ? ? ? ? ? ? 648 GLY A O 1 -ATOM 5026 N N . ALA A 1 649 ? 68.860 55.392 29.949 1.00 30.49 ? ? ? ? ? ? 649 ALA A N 1 -ATOM 5027 C CA . ALA A 1 649 ? 69.514 54.321 29.214 1.00 28.91 ? ? ? ? ? ? 649 ALA A CA 1 -ATOM 5028 C C . ALA A 1 649 ? 68.522 53.237 28.852 1.00 28.72 ? ? ? ? ? ? 649 ALA A C 1 -ATOM 5029 O O . ALA A 1 649 ? 67.455 53.129 29.461 1.00 29.40 ? ? ? ? ? ? 649 ALA A O 1 -ATOM 5030 C CB . ALA A 1 649 ? 70.623 53.724 30.040 1.00 30.17 ? ? ? ? ? ? 649 ALA A CB 1 -ATOM 5031 N N . ILE A 1 650 ? 68.859 52.472 27.823 1.00 27.51 ? ? ? ? ? ? 650 ILE A N 1 -ATOM 5032 C CA . ILE A 1 650 ? 68.043 51.354 27.383 1.00 27.09 ? ? ? ? ? ? 650 ILE A CA 1 -ATOM 5033 C C . ILE A 1 650 ? 68.972 50.134 27.440 1.00 27.45 ? ? ? ? ? ? 650 ILE A C 1 -ATOM 5034 O O . ILE A 1 650 ? 70.190 50.285 27.658 1.00 28.36 ? ? ? ? ? ? 650 ILE A O 1 -ATOM 5035 C CB . ILE A 1 650 ? 67.465 51.547 25.955 1.00 26.06 ? ? ? ? ? ? 650 ILE A CB 1 -ATOM 5036 C CG1 . ILE A 1 650 ? 68.562 51.616 24.913 1.00 24.58 ? ? ? ? ? ? 650 ILE A CG1 1 -ATOM 5037 C CG2 . ILE A 1 650 ? 66.617 52.800 25.894 1.00 28.18 ? ? ? ? ? ? 650 ILE A CG2 1 -ATOM 5038 C CD1 . ILE A 1 650 ? 68.010 51.678 23.514 1.00 24.48 ? ? ? ? ? ? 650 ILE A CD1 1 -ATOM 5039 N N . TYR A 1 651 ? 68.413 48.935 27.296 1.00 25.48 ? ? ? ? ? ? 651 TYR A N 1 -ATOM 5040 C CA . TYR A 1 651 ? 69.207 47.717 27.362 1.00 23.36 ? ? ? ? ? ? 651 TYR A CA 1 -ATOM 5041 C C . TYR A 1 651 ? 68.794 46.723 26.309 1.00 23.65 ? ? ? ? ? ? 651 TYR A C 1 -ATOM 5042 O O . TYR A 1 651 ? 67.605 46.550 26.043 1.00 24.30 ? ? ? ? ? ? 651 TYR A O 1 -ATOM 5043 C CB . TYR A 1 651 ? 69.133 47.099 28.760 1.00 20.61 ? ? ? ? ? ? 651 TYR A CB 1 -ATOM 5044 C CG . TYR A 1 651 ? 69.775 47.990 29.786 1.00 19.76 ? ? ? ? ? ? 651 TYR A CG 1 -ATOM 5045 C CD1 . TYR A 1 651 ? 69.063 49.046 30.359 1.00 18.41 ? ? ? ? ? ? 651 TYR A CD1 1 -ATOM 5046 C CD2 . TYR A 1 651 ? 71.130 47.857 30.103 1.00 19.87 ? ? ? ? ? ? 651 TYR A CD2 1 -ATOM 5047 C CE1 . TYR A 1 651 ? 69.679 49.953 31.210 1.00 18.69 ? ? ? ? ? ? 651 TYR A CE1 1 -ATOM 5048 C CE2 . TYR A 1 651 ? 71.762 48.767 30.959 1.00 19.22 ? ? ? ? ? ? 651 TYR A CE2 1 -ATOM 5049 C CZ . TYR A 1 651 ? 71.028 49.815 31.505 1.00 19.89 ? ? ? ? ? ? 651 TYR A CZ 1 -ATOM 5050 O OH . TYR A 1 651 ? 71.641 50.740 32.323 1.00 20.31 ? ? ? ? ? ? 651 TYR A OH 1 -ATOM 5051 N N . MET A 1 652 ? 69.788 46.100 25.687 1.00 23.67 ? ? ? ? ? ? 652 MET A N 1 -ATOM 5052 C CA . MET A 1 652 ? 69.557 45.120 24.639 1.00 24.22 ? ? ? ? ? ? 652 MET A CA 1 -ATOM 5053 C C . MET A 1 652 ? 70.613 44.026 24.752 1.00 25.45 ? ? ? ? ? ? 652 MET A C 1 -ATOM 5054 O O . MET A 1 652 ? 71.661 44.247 25.356 1.00 25.35 ? ? ? ? ? ? 652 MET A O 1 -ATOM 5055 C CB . MET A 1 652 ? 69.635 45.807 23.286 1.00 23.75 ? ? ? ? ? ? 652 MET A CB 1 -ATOM 5056 C CG . MET A 1 652 ? 68.447 46.684 23.002 1.00 21.47 ? ? ? ? ? ? 652 MET A CG 1 -ATOM 5057 S SD . MET A 1 652 ? 68.792 47.668 21.587 1.00 23.63 ? ? ? ? ? ? 652 MET A SD 1 -ATOM 5058 C CE . MET A 1 652 ? 68.364 46.574 20.229 1.00 18.18 ? ? ? ? ? ? 652 MET A CE 1 -ATOM 5059 N N . THR A 1 653 ? 70.348 42.853 24.188 1.00 25.71 ? ? ? ? ? ? 653 THR A N 1 -ATOM 5060 C CA . THR A 1 653 ? 71.299 41.752 24.275 1.00 27.07 ? ? ? ? ? ? 653 THR A CA 1 -ATOM 5061 C C . THR A 1 653 ? 71.843 41.387 22.897 1.00 28.60 ? ? ? ? ? ? 653 THR A C 1 -ATOM 5062 O O . THR A 1 653 ? 71.362 41.899 21.882 1.00 29.59 ? ? ? ? ? ? 653 THR A O 1 -ATOM 5063 C CB . THR A 1 653 ? 70.636 40.524 24.896 1.00 27.34 ? ? ? ? ? ? 653 THR A CB 1 -ATOM 5064 O OG1 . THR A 1 653 ? 69.528 40.127 24.086 1.00 28.51 ? ? ? ? ? ? 653 THR A OG1 1 -ATOM 5065 C CG2 . THR A 1 653 ? 70.101 40.856 26.275 1.00 27.94 ? ? ? ? ? ? 653 THR A CG2 1 -ATOM 5066 N N . TYR A 1 654 ? 72.807 40.472 22.848 1.00 29.18 ? ? ? ? ? ? 654 TYR A N 1 -ATOM 5067 C CA . TYR A 1 654 ? 73.398 40.066 21.570 1.00 29.40 ? ? ? ? ? ? 654 TYR A CA 1 -ATOM 5068 C C . TYR A 1 654 ? 72.996 38.645 21.134 1.00 30.18 ? ? ? ? ? ? 654 TYR A C 1 -ATOM 5069 O O . TYR A 1 654 ? 73.582 38.077 20.209 1.00 30.31 ? ? ? ? ? ? 654 TYR A O 1 -ATOM 5070 C CB . TYR A 1 654 ? 74.930 40.224 21.609 1.00 27.21 ? ? ? ? ? ? 654 TYR A CB 1 -ATOM 5071 C CG . TYR A 1 654 ? 75.609 39.274 22.561 1.00 26.68 ? ? ? ? ? ? 654 TYR A CG 1 -ATOM 5072 C CD1 . TYR A 1 654 ? 75.249 39.231 23.916 1.00 25.83 ? ? ? ? ? ? 654 TYR A CD1 1 -ATOM 5073 C CD2 . TYR A 1 654 ? 76.532 38.333 22.091 1.00 25.07 ? ? ? ? ? ? 654 TYR A CD2 1 -ATOM 5074 C CE1 . TYR A 1 654 ? 75.779 38.261 24.767 1.00 24.83 ? ? ? ? ? ? 654 TYR A CE1 1 -ATOM 5075 C CE2 . TYR A 1 654 ? 77.064 37.364 22.934 1.00 22.66 ? ? ? ? ? ? 654 TYR A CE2 1 -ATOM 5076 C CZ . TYR A 1 654 ? 76.682 37.333 24.261 1.00 24.33 ? ? ? ? ? ? 654 TYR A CZ 1 -ATOM 5077 O OH . TYR A 1 654 ? 77.178 36.360 25.084 1.00 25.78 ? ? ? ? ? ? 654 TYR A OH 1 -ATOM 5078 N N . GLN A 1 655 ? 71.964 38.095 21.765 1.00 30.85 ? ? ? ? ? ? 655 GLN A N 1 -ATOM 5079 C CA . GLN A 1 655 ? 71.508 36.744 21.433 1.00 32.61 ? ? ? ? ? ? 655 GLN A CA 1 -ATOM 5080 C C . GLN A 1 655 ? 70.536 36.684 20.246 1.00 33.46 ? ? ? ? ? ? 655 GLN A C 1 -ATOM 5081 O O . GLN A 1 655 ? 70.173 35.598 19.788 1.00 33.56 ? ? ? ? ? ? 655 GLN A O 1 -ATOM 5082 C CB . GLN A 1 655 ? 70.844 36.094 22.656 1.00 32.28 ? ? ? ? ? ? 655 GLN A CB 1 -ATOM 5083 C CG . GLN A 1 655 ? 71.750 35.972 23.879 1.00 32.91 ? ? ? ? ? ? 655 GLN A CG 1 -ATOM 5084 C CD . GLN A 1 655 ? 71.166 36.649 25.106 1.00 34.03 ? ? ? ? ? ? 655 GLN A CD 1 -ATOM 5085 O OE1 . GLN A 1 655 ? 71.739 37.592 25.637 1.00 34.51 ? ? ? ? ? ? 655 GLN A OE1 1 -ATOM 5086 N NE2 . GLN A 1 655 ? 70.003 36.197 25.537 1.00 33.94 ? ? ? ? ? ? 655 GLN A NE2 1 -ATOM 5087 N N . TRP A 1 656 ? 70.163 37.844 19.708 1.00 33.59 ? ? ? ? ? ? 656 TRP A N 1 -ATOM 5088 C CA . TRP A 1 656 ? 69.185 37.888 18.621 1.00 31.96 ? ? ? ? ? ? 656 TRP A CA 1 -ATOM 5089 C C . TRP A 1 656 ? 69.707 38.134 17.213 1.00 30.95 ? ? ? ? ? ? 656 TRP A C 1 -ATOM 5090 O O . TRP A 1 656 ? 70.474 39.062 16.975 1.00 31.13 ? ? ? ? ? ? 656 TRP A O 1 -ATOM 5091 C CB . TRP A 1 656 ? 68.080 38.862 18.997 1.00 30.49 ? ? ? ? ? ? 656 TRP A CB 1 -ATOM 5092 C CG . TRP A 1 656 ? 67.532 38.490 20.321 1.00 28.34 ? ? ? ? ? ? 656 TRP A CG 1 -ATOM 5093 C CD1 . TRP A 1 656 ? 67.805 39.085 21.516 1.00 28.53 ? ? ? ? ? ? 656 TRP A CD1 1 -ATOM 5094 C CD2 . TRP A 1 656 ? 66.740 37.346 20.614 1.00 27.82 ? ? ? ? ? ? 656 TRP A CD2 1 -ATOM 5095 N NE1 . TRP A 1 656 ? 67.248 38.370 22.543 1.00 26.34 ? ? ? ? ? ? 656 TRP A NE1 1 -ATOM 5096 C CE2 . TRP A 1 656 ? 66.585 37.293 22.017 1.00 28.09 ? ? ? ? ? ? 656 TRP A CE2 1 -ATOM 5097 C CE3 . TRP A 1 656 ? 66.145 36.351 19.830 1.00 26.81 ? ? ? ? ? ? 656 TRP A CE3 1 -ATOM 5098 C CZ2 . TRP A 1 656 ? 65.861 36.281 22.649 1.00 27.51 ? ? ? ? ? ? 656 TRP A CZ2 1 -ATOM 5099 C CZ3 . TRP A 1 656 ? 65.433 35.354 20.456 1.00 25.70 ? ? ? ? ? ? 656 TRP A CZ3 1 -ATOM 5100 C CH2 . TRP A 1 656 ? 65.295 35.323 21.852 1.00 26.75 ? ? ? ? ? ? 656 TRP A CH2 1 -ATOM 5101 N N . TRP A 1 657 ? 69.258 37.292 16.285 1.00 29.61 ? ? ? ? ? ? 657 TRP A N 1 -ATOM 5102 C CA . TRP A 1 657 ? 69.695 37.365 14.900 1.00 27.54 ? ? ? ? ? ? 657 TRP A CA 1 -ATOM 5103 C C . TRP A 1 657 ? 69.025 38.467 14.129 1.00 27.43 ? ? ? ? ? ? 657 TRP A C 1 -ATOM 5104 O O . TRP A 1 657 ? 69.669 39.109 13.286 1.00 27.61 ? ? ? ? ? ? 657 TRP A O 1 -ATOM 5105 C CB . TRP A 1 657 ? 69.528 36.011 14.206 1.00 25.81 ? ? ? ? ? ? 657 TRP A CB 1 -ATOM 5106 C CG . TRP A 1 657 ? 70.405 34.952 14.808 1.00 24.77 ? ? ? ? ? ? 657 TRP A CG 1 -ATOM 5107 C CD1 . TRP A 1 657 ? 71.155 35.069 15.939 1.00 24.80 ? ? ? ? ? ? 657 TRP A CD1 1 -ATOM 5108 C CD2 . TRP A 1 657 ? 70.598 33.610 14.343 1.00 26.06 ? ? ? ? ? ? 657 TRP A CD2 1 -ATOM 5109 N NE1 . TRP A 1 657 ? 71.793 33.892 16.218 1.00 25.70 ? ? ? ? ? ? 657 TRP A NE1 1 -ATOM 5110 C CE2 . TRP A 1 657 ? 71.473 32.971 15.253 1.00 26.91 ? ? ? ? ? ? 657 TRP A CE2 1 -ATOM 5111 C CE3 . TRP A 1 657 ? 70.121 32.876 13.243 1.00 25.41 ? ? ? ? ? ? 657 TRP A CE3 1 -ATOM 5112 C CZ2 . TRP A 1 657 ? 71.879 31.633 15.108 1.00 27.42 ? ? ? ? ? ? 657 TRP A CZ2 1 -ATOM 5113 C CZ3 . TRP A 1 657 ? 70.529 31.543 13.098 1.00 24.94 ? ? ? ? ? ? 657 TRP A CZ3 1 -ATOM 5114 C CH2 . TRP A 1 657 ? 71.396 30.940 14.025 1.00 25.23 ? ? ? ? ? ? 657 TRP A CH2 1 -ATOM 5115 N N . ILE A 1 658 ? 67.750 38.723 14.447 1.00 26.99 ? ? ? ? ? ? 658 ILE A N 1 -ATOM 5116 C CA . ILE A 1 658 ? 66.985 39.783 13.776 1.00 24.25 ? ? ? ? ? ? 658 ILE A CA 1 -ATOM 5117 C C . ILE A 1 658 ? 67.303 41.153 14.308 1.00 22.49 ? ? ? ? ? ? 658 ILE A C 1 -ATOM 5118 O O . ILE A 1 658 ? 67.705 42.030 13.575 1.00 23.25 ? ? ? ? ? ? 658 ILE A O 1 -ATOM 5119 C CB . ILE A 1 658 ? 65.486 39.537 13.827 1.00 23.71 ? ? ? ? ? ? 658 ILE A CB 1 -ATOM 5120 C CG1 . ILE A 1 658 ? 65.165 38.315 12.973 1.00 23.90 ? ? ? ? ? ? 658 ILE A CG1 1 -ATOM 5121 C CG2 . ILE A 1 658 ? 64.722 40.750 13.321 1.00 24.11 ? ? ? ? ? ? 658 ILE A CG2 1 -ATOM 5122 C CD1 . ILE A 1 658 ? 65.965 38.244 11.681 1.00 22.88 ? ? ? ? ? ? 658 ILE A CD1 1 -ATOM 5123 N N . GLY A 1 659 ? 67.116 41.363 15.588 1.00 22.90 ? ? ? ? ? ? 659 GLY A N 1 -ATOM 5124 C CA . GLY A 1 659 ? 67.445 42.671 16.114 1.00 24.94 ? ? ? ? ? ? 659 GLY A CA 1 -ATOM 5125 C C . GLY A 1 659 ? 68.843 42.574 16.665 1.00 24.66 ? ? ? ? ? ? 659 GLY A C 1 -ATOM 5126 O O . GLY A 1 659 ? 69.018 42.668 17.879 1.00 25.34 ? ? ? ? ? ? 659 GLY A O 1 -ATOM 5127 N N . ALA A 1 660 ? 69.828 42.371 15.790 1.00 24.72 ? ? ? ? ? ? 660 ALA A N 1 -ATOM 5128 C CA . ALA A 1 660 ? 71.212 42.214 16.227 1.00 26.10 ? ? ? ? ? ? 660 ALA A CA 1 -ATOM 5129 C C . ALA A 1 660 ? 71.811 43.511 16.767 1.00 27.95 ? ? ? ? ? ? 660 ALA A C 1 -ATOM 5130 O O . ALA A 1 660 ? 72.316 44.344 15.997 1.00 25.78 ? ? ? ? ? ? 660 ALA A O 1 -ATOM 5131 C CB . ALA A 1 660 ? 72.078 41.634 15.101 1.00 24.35 ? ? ? ? ? ? 660 ALA A CB 1 -ATOM 5132 N N . CYS A 1 661 ? 71.816 43.637 18.098 1.00 29.28 ? ? ? ? ? ? 661 CYS A N 1 -ATOM 5133 C CA . CYS A 1 661 ? 72.328 44.828 18.754 1.00 31.74 ? ? ? ? ? ? 661 CYS A CA 1 -ATOM 5134 C C . CYS A 1 661 ? 73.734 45.164 18.279 1.00 34.03 ? ? ? ? ? ? 661 CYS A C 1 -ATOM 5135 O O . CYS A 1 661 ? 74.056 46.337 18.066 1.00 35.55 ? ? ? ? ? ? 661 CYS A O 1 -ATOM 5136 C CB . CYS A 1 661 ? 72.292 44.670 20.275 1.00 31.45 ? ? ? ? ? ? 661 CYS A CB 1 -ATOM 5137 S SG . CYS A 1 661 ? 73.631 43.692 20.983 1.00 31.20 ? ? ? ? ? ? 661 CYS A SG 1 -ATOM 5138 N N . ASN A 1 662 ? 74.545 44.133 18.039 1.00 35.98 ? ? ? ? ? ? 662 ASN A N 1 -ATOM 5139 C CA . ASN A 1 662 ? 75.928 44.312 17.576 1.00 36.68 ? ? ? ? ? ? 662 ASN A CA 1 -ATOM 5140 C C . ASN A 1 662 ? 76.029 44.996 16.217 1.00 36.84 ? ? ? ? ? ? 662 ASN A C 1 -ATOM 5141 O O . ASN A 1 662 ? 77.118 45.326 15.746 1.00 36.91 ? ? ? ? ? ? 662 ASN A O 1 -ATOM 5142 C CB . ASN A 1 662 ? 76.662 42.978 17.560 1.00 36.72 ? ? ? ? ? ? 662 ASN A CB 1 -ATOM 5143 C CG . ASN A 1 662 ? 77.190 42.609 18.921 1.00 37.62 ? ? ? ? ? ? 662 ASN A CG 1 -ATOM 5144 O OD1 . ASN A 1 662 ? 77.714 43.462 19.625 1.00 38.45 ? ? ? ? ? ? 662 ASN A OD1 1 -ATOM 5145 N ND2 . ASN A 1 662 ? 77.030 41.347 19.320 1.00 37.75 ? ? ? ? ? ? 662 ASN A ND2 1 -ATOM 5146 N N . GLU A 1 663 ? 74.875 45.181 15.588 1.00 36.32 ? ? ? ? ? ? 663 GLU A N 1 -ATOM 5147 C CA . GLU A 1 663 ? 74.774 45.846 14.299 1.00 35.91 ? ? ? ? ? ? 663 GLU A CA 1 -ATOM 5148 C C . GLU A 1 663 ? 75.074 47.319 14.521 1.00 34.60 ? ? ? ? ? ? 663 GLU A C 1 -ATOM 5149 O O . GLU A 1 663 ? 75.645 47.985 13.667 1.00 33.79 ? ? ? ? ? ? 663 GLU A O 1 -ATOM 5150 C CB . GLU A 1 663 ? 73.332 45.741 13.771 1.00 36.28 ? ? ? ? ? ? 663 GLU A CB 1 -ATOM 5151 C CG . GLU A 1 663 ? 73.159 44.904 12.520 1.00 35.65 ? ? ? ? ? ? 663 GLU A CG 1 -ATOM 5152 C CD . GLU A 1 663 ? 74.091 45.332 11.394 1.00 35.61 ? ? ? ? ? ? 663 GLU A CD 1 -ATOM 5153 O OE1 . GLU A 1 663 ? 74.373 46.553 11.243 1.00 34.67 ? ? ? ? ? ? 663 GLU A OE1 1 -ATOM 5154 O OE2 . GLU A 1 663 ? 74.535 44.426 10.663 1.00 32.89 ? ? ? ? ? ? 663 GLU A OE2 1 -ATOM 5155 N N . LEU A 1 664 ? 74.686 47.793 15.699 1.00 33.62 ? ? ? ? ? ? 664 LEU A N 1 -ATOM 5156 C CA . LEU A 1 664 ? 74.815 49.180 16.079 1.00 32.71 ? ? ? ? ? ? 664 LEU A CA 1 -ATOM 5157 C C . LEU A 1 664 ? 76.033 49.523 16.890 1.00 34.15 ? ? ? ? ? ? 664 LEU A C 1 -ATOM 5158 O O . LEU A 1 664 ? 76.358 50.703 17.029 1.00 35.43 ? ? ? ? ? ? 664 LEU A O 1 -ATOM 5159 C CB . LEU A 1 664 ? 73.616 49.593 16.931 1.00 30.52 ? ? ? ? ? ? 664 LEU A CB 1 -ATOM 5160 C CG . LEU A 1 664 ? 72.165 49.286 16.587 1.00 26.93 ? ? ? ? ? ? 664 LEU A CG 1 -ATOM 5161 C CD1 . LEU A 1 664 ? 71.339 50.409 17.172 1.00 25.58 ? ? ? ? ? ? 664 LEU A CD1 1 -ATOM 5162 C CD2 . LEU A 1 664 ? 71.953 49.224 15.107 1.00 25.83 ? ? ? ? ? ? 664 LEU A CD2 1 -ATOM 5163 N N . VAL A 1 665 ? 76.659 48.533 17.513 1.00 34.83 ? ? ? ? ? ? 665 VAL A N 1 -ATOM 5164 C CA . VAL A 1 665 ? 77.804 48.856 18.354 1.00 34.43 ? ? ? ? ? ? 665 VAL A CA 1 -ATOM 5165 C C . VAL A 1 665 ? 79.104 49.102 17.586 1.00 34.76 ? ? ? ? ? ? 665 VAL A C 1 -ATOM 5166 O O . VAL A 1 665 ? 79.427 48.385 16.640 1.00 33.13 ? ? ? ? ? ? 665 VAL A O 1 -ATOM 5167 C CB . VAL A 1 665 ? 77.976 47.836 19.547 1.00 33.47 ? ? ? ? ? ? 665 VAL A CB 1 -ATOM 5168 C CG1 . VAL A 1 665 ? 79.017 48.334 20.548 1.00 30.61 ? ? ? ? ? ? 665 VAL A CG1 1 -ATOM 5169 C CG2 . VAL A 1 665 ? 76.645 47.636 20.277 1.00 31.05 ? ? ? ? ? ? 665 VAL A CG2 1 -ATOM 5170 N N . THR A 1 666 ? 79.751 50.218 17.928 1.00 36.16 ? ? ? ? ? ? 666 THR A N 1 -ATOM 5171 C CA . THR A 1 666 ? 81.032 50.629 17.351 1.00 36.93 ? ? ? ? ? ? 666 THR A CA 1 -ATOM 5172 C C . THR A 1 666 ? 82.096 49.963 18.197 1.00 37.81 ? ? ? ? ? ? 666 THR A C 1 -ATOM 5173 O O . THR A 1 666 ? 82.053 50.061 19.430 1.00 39.00 ? ? ? ? ? ? 666 THR A O 1 -ATOM 5174 C CB . THR A 1 666 ? 81.293 52.147 17.528 1.00 36.55 ? ? ? ? ? ? 666 THR A CB 1 -ATOM 5175 O OG1 . THR A 1 666 ? 80.373 52.919 16.741 1.00 36.16 ? ? ? ? ? ? 666 THR A OG1 1 -ATOM 5176 C CG2 . THR A 1 666 ? 82.723 52.477 17.129 1.00 35.61 ? ? ? ? ? ? 666 THR A CG2 1 -ATOM 5177 N N . GLU A 1 667 ? 83.065 49.321 17.561 1.00 37.88 ? ? ? ? ? ? 667 GLU A N 1 -ATOM 5178 C CA . GLU A 1 667 ? 84.119 48.680 18.326 1.00 38.29 ? ? ? ? ? ? 667 GLU A CA 1 -ATOM 5179 C C . GLU A 1 667 ? 85.092 49.727 18.851 1.00 38.24 ? ? ? ? ? ? 667 GLU A C 1 -ATOM 5180 O O . GLU A 1 667 ? 85.803 50.385 18.094 1.00 39.36 ? ? ? ? ? ? 667 GLU A O 1 -ATOM 5181 C CB . GLU A 1 667 ? 84.848 47.624 17.495 1.00 39.22 ? ? ? ? ? ? 667 GLU A CB 1 -ATOM 5182 C CG . GLU A 1 667 ? 85.226 48.056 16.081 1.00 40.64 ? ? ? ? ? ? 667 GLU A CG 1 -ATOM 5183 C CD . GLU A 1 667 ? 86.081 47.024 15.379 1.00 41.61 ? ? ? ? ? ? 667 GLU A CD 1 -ATOM 5184 O OE1 . GLU A 1 667 ? 85.520 46.114 14.719 1.00 42.27 ? ? ? ? ? ? 667 GLU A OE1 1 -ATOM 5185 O OE2 . GLU A 1 667 ? 87.321 47.117 15.511 1.00 43.22 ? ? ? ? ? ? 667 GLU A OE2 1 -ATOM 5186 N N . ASN A 1 668 ? 85.062 49.947 20.151 1.00 37.82 ? ? ? ? ? ? 668 ASN A N 1 -ATOM 5187 C CA . ASN A 1 668 ? 85.963 50.916 20.745 1.00 37.37 ? ? ? ? ? ? 668 ASN A CA 1 -ATOM 5188 C C . ASN A 1 668 ? 86.914 50.034 21.498 1.00 37.51 ? ? ? ? ? ? 668 ASN A C 1 -ATOM 5189 O O . ASN A 1 668 ? 86.847 49.930 22.729 1.00 39.11 ? ? ? ? ? ? 668 ASN A O 1 -ATOM 5190 C CB . ASN A 1 668 ? 85.210 51.867 21.678 1.00 37.68 ? ? ? ? ? ? 668 ASN A CB 1 -ATOM 5191 C CG . ASN A 1 668 ? 84.198 52.727 20.932 1.00 37.79 ? ? ? ? ? ? 668 ASN A CG 1 -ATOM 5192 O OD1 . ASN A 1 668 ? 84.460 53.186 19.825 1.00 38.86 ? ? ? ? ? ? 668 ASN A OD1 1 -ATOM 5193 N ND2 . ASN A 1 668 ? 83.032 52.919 21.522 1.00 37.41 ? ? ? ? ? ? 668 ASN A ND2 1 -ATOM 5194 N N . LEU A 1 669 ? 87.688 49.281 20.716 1.00 36.21 ? ? ? ? ? ? 669 LEU A N 1 -ATOM 5195 C CA . LEU A 1 669 ? 88.670 48.343 21.233 1.00 34.94 ? ? ? ? ? ? 669 LEU A CA 1 -ATOM 5196 C C . LEU A 1 669 ? 89.566 49.045 22.215 1.00 34.79 ? ? ? ? ? ? 669 LEU A C 1 -ATOM 5197 O O . LEU A 1 669 ? 90.184 50.058 21.900 1.00 35.33 ? ? ? ? ? ? 669 LEU A O 1 -ATOM 5198 C CB . LEU A 1 669 ? 89.511 47.749 20.103 1.00 33.36 ? ? ? ? ? ? 669 LEU A CB 1 -ATOM 5199 C CG . LEU A 1 669 ? 88.732 47.104 18.961 1.00 31.88 ? ? ? ? ? ? 669 LEU A CG 1 -ATOM 5200 C CD1 . LEU A 1 669 ? 89.708 46.505 17.991 1.00 31.42 ? ? ? ? ? ? 669 LEU A CD1 1 -ATOM 5201 C CD2 . LEU A 1 669 ? 87.780 46.054 19.495 1.00 31.59 ? ? ? ? ? ? 669 LEU A CD2 1 -ATOM 5202 N N . SER A 1 670 ? 89.581 48.533 23.431 1.00 35.92 ? ? ? ? ? ? 670 SER A N 1 -ATOM 5203 C CA . SER A 1 670 ? 90.405 49.106 24.467 1.00 36.99 ? ? ? ? ? ? 670 SER A CA 1 -ATOM 5204 C C . SER A 1 670 ? 91.853 49.067 23.985 1.00 37.69 ? ? ? ? ? ? 670 SER A C 1 -ATOM 5205 O O . SER A 1 670 ? 92.309 48.082 23.401 1.00 37.55 ? ? ? ? ? ? 670 SER A O 1 -ATOM 5206 C CB . SER A 1 670 ? 90.208 48.338 25.786 1.00 37.12 ? ? ? ? ? ? 670 SER A CB 1 -ATOM 5207 O OG . SER A 1 670 ? 90.029 46.942 25.577 1.00 36.39 ? ? ? ? ? ? 670 SER A OG 1 -ATOM 5208 N N . PRO A 1 671 ? 92.583 50.161 24.187 1.00 38.14 ? ? ? ? ? ? 671 PRO A N 1 -ATOM 5209 C CA . PRO A 1 671 ? 93.979 50.203 23.752 1.00 38.37 ? ? ? ? ? ? 671 PRO A CA 1 -ATOM 5210 C C . PRO A 1 671 ? 94.840 49.093 24.337 1.00 38.19 ? ? ? ? ? ? 671 PRO A C 1 -ATOM 5211 O O . PRO A 1 671 ? 95.823 48.685 23.717 1.00 39.28 ? ? ? ? ? ? 671 PRO A O 1 -ATOM 5212 C CB . PRO A 1 671 ? 94.447 51.585 24.231 1.00 38.44 ? ? ? ? ? ? 671 PRO A CB 1 -ATOM 5213 C CG . PRO A 1 671 ? 93.543 51.880 25.407 1.00 39.43 ? ? ? ? ? ? 671 PRO A CG 1 -ATOM 5214 C CD . PRO A 1 671 ? 92.204 51.395 24.894 1.00 38.47 ? ? ? ? ? ? 671 PRO A CD 1 -ATOM 5215 N N . ILE A 1 672 ? 94.453 48.565 25.496 1.00 37.67 ? ? ? ? ? ? 672 ILE A N 1 -ATOM 5216 C CA . ILE A 1 672 ? 95.276 47.535 26.131 1.00 37.49 ? ? ? ? ? ? 672 ILE A CA 1 -ATOM 5217 C C . ILE A 1 672 ? 95.057 46.063 25.749 1.00 36.67 ? ? ? ? ? ? 672 ILE A C 1 -ATOM 5218 O O . ILE A 1 672 ? 95.997 45.390 25.326 1.00 35.87 ? ? ? ? ? ? 672 ILE A O 1 -ATOM 5219 C CB . ILE A 1 672 ? 95.305 47.708 27.665 1.00 36.97 ? ? ? ? ? ? 672 ILE A CB 1 -ATOM 5220 C CG1 . ILE A 1 672 ? 95.648 49.163 28.015 1.00 34.94 ? ? ? ? ? ? 672 ILE A CG1 1 -ATOM 5221 C CG2 . ILE A 1 672 ? 96.362 46.784 28.261 1.00 37.01 ? ? ? ? ? ? 672 ILE A CG2 1 -ATOM 5222 C CD1 . ILE A 1 672 ? 95.897 49.404 29.472 1.00 33.87 ? ? ? ? ? ? 672 ILE A CD1 1 -ATOM 5223 N N . THR A 1 673 ? 93.839 45.557 25.939 1.00 36.51 ? ? ? ? ? ? 673 THR A N 1 -ATOM 5224 C CA . THR A 1 673 ? 93.511 44.164 25.605 1.00 34.14 ? ? ? ? ? ? 673 THR A CA 1 -ATOM 5225 C C . THR A 1 673 ? 92.760 44.044 24.298 1.00 33.94 ? ? ? ? ? ? 673 THR A C 1 -ATOM 5226 O O . THR A 1 673 ? 92.437 42.947 23.873 1.00 34.40 ? ? ? ? ? ? 673 THR A O 1 -ATOM 5227 C CB . THR A 1 673 ? 92.617 43.541 26.656 1.00 32.41 ? ? ? ? ? ? 673 THR A CB 1 -ATOM 5228 O OG1 . THR A 1 673 ? 91.503 44.409 26.893 1.00 30.73 ? ? ? ? ? ? 673 THR A OG1 1 -ATOM 5229 C CG2 . THR A 1 673 ? 93.380 43.333 27.926 1.00 32.49 ? ? ? ? ? ? 673 THR A CG2 1 -ATOM 5230 N N . LYS A 1 674 ? 92.476 45.175 23.668 1.00 34.47 ? ? ? ? ? ? 674 LYS A N 1 -ATOM 5231 C CA . LYS A 1 674 ? 91.737 45.186 22.423 1.00 34.52 ? ? ? ? ? ? 674 LYS A CA 1 -ATOM 5232 C C . LYS A 1 674 ? 90.371 44.585 22.675 1.00 35.37 ? ? ? ? ? ? 674 LYS A C 1 -ATOM 5233 O O . LYS A 1 674 ? 90.019 43.545 22.099 1.00 36.38 ? ? ? ? ? ? 674 LYS A O 1 -ATOM 5234 C CB . LYS A 1 674 ? 92.485 44.397 21.355 1.00 34.53 ? ? ? ? ? ? 674 LYS A CB 1 -ATOM 5235 C CG . LYS A 1 674 ? 93.194 45.278 20.364 1.00 34.22 ? ? ? ? ? ? 674 LYS A CG 1 -ATOM 5236 C CD . LYS A 1 674 ? 94.133 46.214 21.053 1.00 34.85 ? ? ? ? ? ? 674 LYS A CD 1 -ATOM 5237 C CE . LYS A 1 674 ? 94.112 47.533 20.348 1.00 36.35 ? ? ? ? ? ? 674 LYS A CE 1 -ATOM 5238 N NZ . LYS A 1 674 ? 94.289 47.332 18.874 1.00 39.98 ? ? ? ? ? ? 674 LYS A NZ 1 -ATOM 5239 N N . THR A 1 675 ? 89.608 45.249 23.539 1.00 34.83 ? ? ? ? ? ? 675 THR A N 1 -ATOM 5240 C CA . THR A 1 675 ? 88.272 44.796 23.904 1.00 34.26 ? ? ? ? ? ? 675 THR A CA 1 -ATOM 5241 C C . THR A 1 675 ? 87.211 45.850 23.605 1.00 34.54 ? ? ? ? ? ? 675 THR A C 1 -ATOM 5242 O O . THR A 1 675 ? 87.349 47.023 23.966 1.00 34.10 ? ? ? ? ? ? 675 THR A O 1 -ATOM 5243 C CB . THR A 1 675 ? 88.202 44.435 25.389 1.00 33.76 ? ? ? ? ? ? 675 THR A CB 1 -ATOM 5244 O OG1 . THR A 1 675 ? 89.302 43.580 25.722 1.00 34.95 ? ? ? ? ? ? 675 THR A OG1 1 -ATOM 5245 C CG2 . THR A 1 675 ? 86.901 43.722 25.703 1.00 33.59 ? ? ? ? ? ? 675 THR A CG2 1 -ATOM 5246 N N . PRO A 1 676 ? 86.170 45.460 22.865 1.00 35.13 ? ? ? ? ? ? 676 PRO A N 1 -ATOM 5247 C CA . PRO A 1 676 ? 85.065 46.349 22.494 1.00 35.19 ? ? ? ? ? ? 676 PRO A CA 1 -ATOM 5248 C C . PRO A 1 676 ? 84.239 46.894 23.672 1.00 34.80 ? ? ? ? ? ? 676 PRO A C 1 -ATOM 5249 O O . PRO A 1 676 ? 84.010 46.195 24.669 1.00 31.65 ? ? ? ? ? ? 676 PRO A O 1 -ATOM 5250 C CB . PRO A 1 676 ? 84.233 45.480 21.550 1.00 35.26 ? ? ? ? ? ? 676 PRO A CB 1 -ATOM 5251 C CG . PRO A 1 676 ? 84.647 44.078 21.908 1.00 34.86 ? ? ? ? ? ? 676 PRO A CG 1 -ATOM 5252 C CD . PRO A 1 676 ? 86.090 44.191 22.126 1.00 34.66 ? ? ? ? ? ? 676 PRO A CD 1 -ATOM 5253 N N . GLU A 1 677 ? 83.794 48.150 23.529 1.00 35.21 ? ? ? ? ? ? 677 GLU A N 1 -ATOM 5254 C CA . GLU A 1 677 ? 82.993 48.835 24.551 1.00 35.06 ? ? ? ? ? ? 677 GLU A CA 1 -ATOM 5255 C C . GLU A 1 677 ? 81.489 48.586 24.368 1.00 34.67 ? ? ? ? ? ? 677 GLU A C 1 -ATOM 5256 O O . GLU A 1 677 ? 80.673 49.521 24.297 1.00 33.75 ? ? ? ? ? ? 677 GLU A O 1 -ATOM 5257 C CB . GLU A 1 677 ? 83.301 50.344 24.576 1.00 35.27 ? ? ? ? ? ? 677 GLU A CB 1 -ATOM 5258 C CG . GLU A 1 677 ? 82.781 51.038 25.841 1.00 34.49 ? ? ? ? ? ? 677 GLU A CG 1 -ATOM 5259 C CD . GLU A 1 677 ? 83.307 52.440 26.013 1.00 34.12 ? ? ? ? ? ? 677 GLU A CD 1 -ATOM 5260 O OE1 . GLU A 1 677 ? 82.988 53.277 25.147 1.00 35.83 ? ? ? ? ? ? 677 GLU A OE1 1 -ATOM 5261 O OE2 . GLU A 1 677 ? 84.011 52.718 27.018 1.00 32.51 ? ? ? ? ? ? 677 GLU A OE2 1 -ATOM 5262 N N . TYR A 1 678 ? 81.147 47.300 24.361 1.00 33.87 ? ? ? ? ? ? 678 TYR A N 1 -ATOM 5263 C CA . TYR A 1 678 ? 79.787 46.815 24.192 1.00 32.54 ? ? ? ? ? ? 678 TYR A CA 1 -ATOM 5264 C C . TYR A 1 678 ? 78.767 47.402 25.182 1.00 33.08 ? ? ? ? ? ? 678 TYR A C 1 -ATOM 5265 O O . TYR A 1 678 ? 77.565 47.302 24.943 1.00 32.93 ? ? ? ? ? ? 678 TYR A O 1 -ATOM 5266 C CB . TYR A 1 678 ? 79.767 45.296 24.367 1.00 31.33 ? ? ? ? ? ? 678 TYR A CB 1 -ATOM 5267 C CG . TYR A 1 678 ? 80.519 44.441 23.354 1.00 29.91 ? ? ? ? ? ? 678 TYR A CG 1 -ATOM 5268 C CD1 . TYR A 1 678 ? 80.068 44.306 22.029 1.00 28.72 ? ? ? ? ? ? 678 TYR A CD1 1 -ATOM 5269 C CD2 . TYR A 1 678 ? 81.571 43.629 23.773 1.00 28.98 ? ? ? ? ? ? 678 TYR A CD2 1 -ATOM 5270 C CE1 . TYR A 1 678 ? 80.630 43.373 21.162 1.00 27.83 ? ? ? ? ? ? 678 TYR A CE1 1 -ATOM 5271 C CE2 . TYR A 1 678 ? 82.141 42.691 22.926 1.00 29.08 ? ? ? ? ? ? 678 TYR A CE2 1 -ATOM 5272 C CZ . TYR A 1 678 ? 81.669 42.553 21.620 1.00 29.78 ? ? ? ? ? ? 678 TYR A CZ 1 -ATOM 5273 O OH . TYR A 1 678 ? 82.208 41.549 20.827 1.00 27.11 ? ? ? ? ? ? 678 TYR A OH 1 -ATOM 5274 N N . LYS A 1 679 ? 79.232 47.990 26.286 1.00 33.33 ? ? ? ? ? ? 679 LYS A N 1 -ATOM 5275 C CA . LYS A 1 679 ? 78.338 48.541 27.315 1.00 34.12 ? ? ? ? ? ? 679 LYS A CA 1 -ATOM 5276 C C . LYS A 1 679 ? 77.892 50.001 27.186 1.00 34.98 ? ? ? ? ? ? 679 LYS A C 1 -ATOM 5277 O O . LYS A 1 679 ? 77.162 50.507 28.048 1.00 35.37 ? ? ? ? ? ? 679 LYS A O 1 -ATOM 5278 C CB . LYS A 1 679 ? 78.948 48.348 28.712 1.00 34.32 ? ? ? ? ? ? 679 LYS A CB 1 -ATOM 5279 C CG . LYS A 1 679 ? 78.949 46.918 29.239 1.00 33.60 ? ? ? ? ? ? 679 LYS A CG 1 -ATOM 5280 C CD . LYS A 1 679 ? 77.603 46.527 29.798 1.00 33.47 ? ? ? ? ? ? 679 LYS A CD 1 -ATOM 5281 C CE . LYS A 1 679 ? 77.577 45.052 30.171 1.00 33.04 ? ? ? ? ? ? 679 LYS A CE 1 -ATOM 5282 N NZ . LYS A 1 679 ? 77.866 44.178 29.002 1.00 32.84 ? ? ? ? ? ? 679 LYS A NZ 1 -ATOM 5283 N N . TYR A 1 680 ? 78.325 50.691 26.140 1.00 35.76 ? ? ? ? ? ? 680 TYR A N 1 -ATOM 5284 C CA . TYR A 1 680 ? 77.942 52.087 25.974 1.00 35.16 ? ? ? ? ? ? 680 TYR A CA 1 -ATOM 5285 C C . TYR A 1 680 ? 77.836 52.388 24.490 1.00 35.33 ? ? ? ? ? ? 680 TYR A C 1 -ATOM 5286 O O . TYR A 1 680 ? 78.831 52.353 23.763 1.00 35.12 ? ? ? ? ? ? 680 TYR A O 1 -ATOM 5287 C CB . TYR A 1 680 ? 78.986 53.002 26.638 1.00 34.23 ? ? ? ? ? ? 680 TYR A CB 1 -ATOM 5288 C CG . TYR A 1 680 ? 78.462 54.360 27.070 1.00 34.99 ? ? ? ? ? ? 680 TYR A CG 1 -ATOM 5289 C CD1 . TYR A 1 680 ? 78.290 55.402 26.149 1.00 34.53 ? ? ? ? ? ? 680 TYR A CD1 1 -ATOM 5290 C CD2 . TYR A 1 680 ? 78.126 54.605 28.410 1.00 35.71 ? ? ? ? ? ? 680 TYR A CD2 1 -ATOM 5291 C CE1 . TYR A 1 680 ? 77.794 56.645 26.552 1.00 34.14 ? ? ? ? ? ? 680 TYR A CE1 1 -ATOM 5292 C CE2 . TYR A 1 680 ? 77.632 55.842 28.825 1.00 33.78 ? ? ? ? ? ? 680 TYR A CE2 1 -ATOM 5293 C CZ . TYR A 1 680 ? 77.465 56.852 27.890 1.00 35.25 ? ? ? ? ? ? 680 TYR A CZ 1 -ATOM 5294 O OH . TYR A 1 680 ? 76.931 58.058 28.294 1.00 38.23 ? ? ? ? ? ? 680 TYR A OH 1 -ATOM 5295 N N . CYS A 1 681 ? 76.618 52.613 24.020 1.00 34.88 ? ? ? ? ? ? 681 CYS A N 1 -ATOM 5296 C CA . CYS A 1 681 ? 76.419 52.939 22.620 1.00 34.47 ? ? ? ? ? ? 681 CYS A CA 1 -ATOM 5297 C C . CYS A 1 681 ? 75.308 53.967 22.473 1.00 33.49 ? ? ? ? ? ? 681 CYS A C 1 -ATOM 5298 O O . CYS A 1 681 ? 74.162 53.698 22.819 1.00 34.37 ? ? ? ? ? ? 681 CYS A O 1 -ATOM 5299 C CB . CYS A 1 681 ? 76.104 51.691 21.812 1.00 33.92 ? ? ? ? ? ? 681 CYS A CB 1 -ATOM 5300 S SG . CYS A 1 681 ? 75.702 52.052 20.082 1.00 35.78 ? ? ? ? ? ? 681 CYS A SG 1 -ATOM 5301 N N . ALA A 1 682 ? 75.671 55.164 22.019 1.00 32.62 ? ? ? ? ? ? 682 ALA A N 1 -ATOM 5302 C CA . ALA A 1 682 ? 74.735 56.268 21.825 1.00 30.98 ? ? ? ? ? ? 682 ALA A CA 1 -ATOM 5303 C C . ALA A 1 682 ? 73.727 55.887 20.752 1.00 30.38 ? ? ? ? ? ? 682 ALA A C 1 -ATOM 5304 O O . ALA A 1 682 ? 74.097 55.676 19.588 1.00 31.34 ? ? ? ? ? ? 682 ALA A O 1 -ATOM 5305 C CB . ALA A 1 682 ? 75.496 57.525 21.417 1.00 30.26 ? ? ? ? ? ? 682 ALA A CB 1 -ATOM 5306 N N . VAL A 1 683 ? 72.471 55.719 21.163 1.00 28.73 ? ? ? ? ? ? 683 VAL A N 1 -ATOM 5307 C CA . VAL A 1 683 ? 71.409 55.327 20.244 1.00 28.24 ? ? ? ? ? ? 683 VAL A CA 1 -ATOM 5308 C C . VAL A 1 683 ? 70.201 56.211 20.452 1.00 29.74 ? ? ? ? ? ? 683 VAL A C 1 -ATOM 5309 O O . VAL A 1 683 ? 70.055 56.868 21.493 1.00 29.42 ? ? ? ? ? ? 683 VAL A O 1 -ATOM 5310 C CB . VAL A 1 683 ? 70.926 53.853 20.429 1.00 25.00 ? ? ? ? ? ? 683 VAL A CB 1 -ATOM 5311 C CG1 . VAL A 1 683 ? 72.051 52.880 20.282 1.00 22.74 ? ? ? ? ? ? 683 VAL A CG1 1 -ATOM 5312 C CG2 . VAL A 1 683 ? 70.230 53.697 21.757 1.00 22.82 ? ? ? ? ? ? 683 VAL A CG2 1 -ATOM 5313 N N . ARG A 1 684 ? 69.269 56.076 19.515 1.00 30.88 ? ? ? ? ? ? 684 ARG A N 1 -ATOM 5314 C CA . ARG A 1 684 ? 68.049 56.845 19.498 1.00 32.25 ? ? ? ? ? ? 684 ARG A CA 1 -ATOM 5315 C C . ARG A 1 684 ? 66.860 55.927 19.228 1.00 33.40 ? ? ? ? ? ? 684 ARG A C 1 -ATOM 5316 O O . ARG A 1 684 ? 66.742 55.336 18.132 1.00 33.53 ? ? ? ? ? ? 684 ARG A O 1 -ATOM 5317 C CB . ARG A 1 684 ? 68.198 57.825 18.385 1.00 32.93 ? ? ? ? ? ? 684 ARG A CB 1 -ATOM 5318 C CG . ARG A 1 684 ? 67.002 58.592 18.018 1.00 37.77 ? ? ? ? ? ? 684 ARG A CG 1 -ATOM 5319 C CD . ARG A 1 684 ? 67.401 59.148 16.718 1.00 41.78 ? ? ? ? ? ? 684 ARG A CD 1 -ATOM 5320 N NE . ARG A 1 684 ? 66.604 60.279 16.310 1.00 45.62 ? ? ? ? ? ? 684 ARG A NE 1 -ATOM 5321 C CZ . ARG A 1 684 ? 66.391 60.555 15.036 1.00 49.41 ? ? ? ? ? ? 684 ARG A CZ 1 -ATOM 5322 N NH1 . ARG A 1 684 ? 66.925 59.756 14.113 1.00 48.61 ? ? ? ? ? ? 684 ARG A NH1 1 -ATOM 5323 N NH2 . ARG A 1 684 ? 65.670 61.638 14.706 1.00 52.02 ? ? ? ? ? ? 684 ARG A NH2 1 -ATOM 5324 N N . VAL A 1 685 ? 65.979 55.804 20.219 1.00 34.27 ? ? ? ? ? ? 685 VAL A N 1 -ATOM 5325 C CA . VAL A 1 685 ? 64.814 54.931 20.092 1.00 35.40 ? ? ? ? ? ? 685 VAL A CA 1 -ATOM 5326 C C . VAL A 1 685 ? 63.716 55.700 19.369 1.00 36.42 ? ? ? ? ? ? 685 VAL A C 1 -ATOM 5327 O O . VAL A 1 685 ? 63.432 56.851 19.700 1.00 37.98 ? ? ? ? ? ? 685 VAL A O 1 -ATOM 5328 C CB . VAL A 1 685 ? 64.284 54.475 21.457 1.00 35.58 ? ? ? ? ? ? 685 VAL A CB 1 -ATOM 5329 C CG1 . VAL A 1 685 ? 63.414 53.232 21.283 1.00 33.46 ? ? ? ? ? ? 685 VAL A CG1 1 -ATOM 5330 C CG2 . VAL A 1 685 ? 65.431 54.220 22.429 1.00 34.55 ? ? ? ? ? ? 685 VAL A CG2 1 -ATOM 5331 N N . GLU A 1 686 ? 63.050 55.041 18.428 1.00 36.64 ? ? ? ? ? ? 686 GLU A N 1 -ATOM 5332 C CA . GLU A 1 686 ? 61.998 55.705 17.680 1.00 36.10 ? ? ? ? ? ? 686 GLU A CA 1 -ATOM 5333 C C . GLU A 1 686 ? 60.782 54.818 17.582 1.00 34.75 ? ? ? ? ? ? 686 GLU A C 1 -ATOM 5334 O O . GLU A 1 686 ? 60.906 53.650 17.241 1.00 35.34 ? ? ? ? ? ? 686 GLU A O 1 -ATOM 5335 C CB . GLU A 1 686 ? 62.516 56.030 16.311 1.00 36.43 ? ? ? ? ? ? 686 GLU A CB 1 -ATOM 5336 C CG . GLU A 1 686 ? 63.853 56.686 16.385 1.00 39.35 ? ? ? ? ? ? 686 GLU A CG 1 -ATOM 5337 C CD . GLU A 1 686 ? 64.576 56.585 15.065 1.00 43.32 ? ? ? ? ? ? 686 GLU A CD 1 -ATOM 5338 O OE1 . GLU A 1 686 ? 63.921 56.132 14.089 1.00 44.86 ? ? ? ? ? ? 686 GLU A OE1 1 -ATOM 5339 O OE2 . GLU A 1 686 ? 65.777 56.944 15.024 1.00 45.16 ? ? ? ? ? ? 686 GLU A OE2 1 -ATOM 5340 N N . PRO A 1 687 ? 59.584 55.360 17.859 1.00 34.20 ? ? ? ? ? ? 687 PRO A N 1 -ATOM 5341 C CA . PRO A 1 687 ? 58.357 54.559 17.788 1.00 33.84 ? ? ? ? ? ? 687 PRO A CA 1 -ATOM 5342 C C . PRO A 1 687 ? 58.004 54.110 16.375 1.00 33.94 ? ? ? ? ? ? 687 PRO A C 1 -ATOM 5343 O O . PRO A 1 687 ? 58.628 54.516 15.392 1.00 34.73 ? ? ? ? ? ? 687 PRO A O 1 -ATOM 5344 C CB . PRO A 1 687 ? 57.318 55.488 18.394 1.00 33.20 ? ? ? ? ? ? 687 PRO A CB 1 -ATOM 5345 C CG . PRO A 1 687 ? 57.794 56.822 17.958 1.00 32.79 ? ? ? ? ? ? 687 PRO A CG 1 -ATOM 5346 C CD . PRO A 1 687 ? 59.269 56.736 18.271 1.00 33.98 ? ? ? ? ? ? 687 PRO A CD 1 -ATOM 5347 N N . ILE A 1 688 ? 57.006 53.249 16.287 1.00 34.57 ? ? ? ? ? ? 688 ILE A N 1 -ATOM 5348 C CA . ILE A 1 688 ? 56.549 52.718 15.011 1.00 34.95 ? ? ? ? ? ? 688 ILE A CA 1 -ATOM 5349 C C . ILE A 1 688 ? 55.023 52.706 15.068 1.00 36.00 ? ? ? ? ? ? 688 ILE A C 1 -ATOM 5350 O O . ILE A 1 688 ? 54.443 51.967 15.879 1.00 34.49 ? ? ? ? ? ? 688 ILE A O 1 -ATOM 5351 C CB . ILE A 1 688 ? 57.024 51.270 14.825 1.00 35.13 ? ? ? ? ? ? 688 ILE A CB 1 -ATOM 5352 C CG1 . ILE A 1 688 ? 58.549 51.214 14.724 1.00 33.66 ? ? ? ? ? ? 688 ILE A CG1 1 -ATOM 5353 C CG2 . ILE A 1 688 ? 56.323 50.619 13.625 1.00 35.68 ? ? ? ? ? ? 688 ILE A CG2 1 -ATOM 5354 C CD1 . ILE A 1 688 ? 59.066 49.800 14.579 1.00 35.08 ? ? ? ? ? ? 688 ILE A CD1 1 -ATOM 5355 N N . ALA A 1 689 ? 54.389 53.516 14.215 1.00 36.63 ? ? ? ? ? ? 689 ALA A N 1 -ATOM 5356 C CA . ALA A 1 689 ? 52.923 53.588 14.186 1.00 38.28 ? ? ? ? ? ? 689 ALA A CA 1 -ATOM 5357 C C . ALA A 1 689 ? 52.274 52.341 13.584 1.00 39.28 ? ? ? ? ? ? 689 ALA A C 1 -ATOM 5358 O O . ALA A 1 689 ? 51.443 51.691 14.237 1.00 38.85 ? ? ? ? ? ? 689 ALA A O 1 -ATOM 5359 C CB . ALA A 1 689 ? 52.473 54.821 13.451 1.00 38.60 ? ? ? ? ? ? 689 ALA A CB 1 -ATOM 5360 N N . ASP A 1 690 ? 52.642 51.990 12.350 1.00 40.22 ? ? ? ? ? ? 690 ASP A N 1 -ATOM 5361 C CA . ASP A 1 690 ? 52.049 50.814 11.721 1.00 41.25 ? ? ? ? ? ? 690 ASP A CA 1 -ATOM 5362 C C . ASP A 1 690 ? 52.600 49.480 12.249 1.00 41.22 ? ? ? ? ? ? 690 ASP A C 1 -ATOM 5363 O O . ASP A 1 690 ? 53.194 48.696 11.502 1.00 40.50 ? ? ? ? ? ? 690 ASP A O 1 -ATOM 5364 C CB . ASP A 1 690 ? 52.162 50.887 10.193 1.00 42.80 ? ? ? ? ? ? 690 ASP A CB 1 -ATOM 5365 C CG . ASP A 1 690 ? 51.232 49.887 9.480 1.00 46.11 ? ? ? ? ? ? 690 ASP A CG 1 -ATOM 5366 O OD1 . ASP A 1 690 ? 50.333 49.305 10.133 1.00 46.81 ? ? ? ? ? ? 690 ASP A OD1 1 -ATOM 5367 O OD2 . ASP A 1 690 ? 51.389 49.687 8.252 1.00 49.06 ? ? ? ? ? ? 690 ASP A OD2 1 -ATOM 5368 N N . GLN A 1 691 ? 52.330 49.194 13.521 1.00 41.79 ? ? ? ? ? ? 691 GLN A N 1 -ATOM 5369 C CA . GLN A 1 691 ? 52.794 47.959 14.157 1.00 43.11 ? ? ? ? ? ? 691 GLN A CA 1 -ATOM 5370 C C . GLN A 1 691 ? 52.554 46.718 13.296 1.00 44.39 ? ? ? ? ? ? 691 GLN A C 1 -ATOM 5371 O O . GLN A 1 691 ? 53.484 45.978 12.993 1.00 46.07 ? ? ? ? ? ? 691 GLN A O 1 -ATOM 5372 C CB . GLN A 1 691 ? 52.109 47.760 15.506 1.00 41.71 ? ? ? ? ? ? 691 GLN A CB 1 -ATOM 5373 C CG . GLN A 1 691 ? 52.504 48.751 16.568 1.00 42.32 ? ? ? ? ? ? 691 GLN A CG 1 -ATOM 5374 C CD . GLN A 1 691 ? 53.790 48.377 17.264 1.00 42.77 ? ? ? ? ? ? 691 GLN A CD 1 -ATOM 5375 O OE1 . GLN A 1 691 ? 54.023 47.206 17.571 1.00 41.86 ? ? ? ? ? ? 691 GLN A OE1 1 -ATOM 5376 N NE2 . GLN A 1 691 ? 54.639 49.374 17.519 1.00 43.29 ? ? ? ? ? ? 691 GLN A NE2 1 -ATOM 5377 N N . ARG A 1 692 ? 51.311 46.513 12.878 1.00 45.03 ? ? ? ? ? ? 692 ARG A N 1 -ATOM 5378 C CA . ARG A 1 692 ? 50.944 45.357 12.070 1.00 44.43 ? ? ? ? ? ? 692 ARG A CA 1 -ATOM 5379 C C . ARG A 1 692 ? 51.904 45.104 10.918 1.00 42.63 ? ? ? ? ? ? 692 ARG A C 1 -ATOM 5380 O O . ARG A 1 692 ? 52.250 43.959 10.647 1.00 42.60 ? ? ? ? ? ? 692 ARG A O 1 -ATOM 5381 C CB . ARG A 1 692 ? 49.489 45.486 11.592 1.00 47.50 ? ? ? ? ? ? 692 ARG A CB 1 -ATOM 5382 C CG . ARG A 1 692 ? 48.491 45.406 12.757 1.00 51.18 ? ? ? ? ? ? 692 ARG A CG 1 -ATOM 5383 C CD . ARG A 1 692 ? 47.082 45.868 12.422 1.00 54.81 ? ? ? ? ? ? 692 ARG A CD 1 -ATOM 5384 N NE . ARG A 1 692 ? 46.291 46.049 13.651 1.00 58.88 ? ? ? ? ? ? 692 ARG A NE 1 -ATOM 5385 C CZ . ARG A 1 692 ? 45.067 46.585 13.711 1.00 59.36 ? ? ? ? ? ? 692 ARG A CZ 1 -ATOM 5386 N NH1 . ARG A 1 692 ? 44.459 47.003 12.605 1.00 60.37 ? ? ? ? ? ? 692 ARG A NH1 1 -ATOM 5387 N NH2 . ARG A 1 692 ? 44.458 46.730 14.887 1.00 58.34 ? ? ? ? ? ? 692 ARG A NH2 1 -ATOM 5388 N N . ALA A 1 693 ? 52.404 46.172 10.304 1.00 40.71 ? ? ? ? ? ? 693 ALA A N 1 -ATOM 5389 C CA . ALA A 1 693 ? 53.341 46.037 9.189 1.00 39.55 ? ? ? ? ? ? 693 ALA A CA 1 -ATOM 5390 C C . ALA A 1 693 ? 54.741 45.673 9.678 1.00 38.62 ? ? ? ? ? ? 693 ALA A C 1 -ATOM 5391 O O . ALA A 1 693 ? 55.549 45.100 8.939 1.00 37.95 ? ? ? ? ? ? 693 ALA A O 1 -ATOM 5392 C CB . ALA A 1 693 ? 53.390 47.319 8.400 1.00 39.95 ? ? ? ? ? ? 693 ALA A CB 1 -ATOM 5393 N N . ALA A 1 694 ? 55.032 46.077 10.911 1.00 37.44 ? ? ? ? ? ? 694 ALA A N 1 -ATOM 5394 C CA . ALA A 1 694 ? 56.310 45.808 11.558 1.00 36.25 ? ? ? ? ? ? 694 ALA A CA 1 -ATOM 5395 C C . ALA A 1 694 ? 56.330 44.350 12.042 1.00 35.34 ? ? ? ? ? ? 694 ALA A C 1 -ATOM 5396 O O . ALA A 1 694 ? 57.343 43.646 11.955 1.00 33.97 ? ? ? ? ? ? 694 ALA A O 1 -ATOM 5397 C CB . ALA A 1 694 ? 56.501 46.767 12.738 1.00 35.29 ? ? ? ? ? ? 694 ALA A CB 1 -ATOM 5398 N N . GLU A 1 695 ? 55.179 43.898 12.511 1.00 34.59 ? ? ? ? ? ? 695 GLU A N 1 -ATOM 5399 C CA . GLU A 1 695 ? 55.033 42.552 13.012 1.00 35.50 ? ? ? ? ? ? 695 GLU A CA 1 -ATOM 5400 C C . GLU A 1 695 ? 55.262 41.522 11.903 1.00 35.94 ? ? ? ? ? ? 695 GLU A C 1 -ATOM 5401 O O . GLU A 1 695 ? 55.650 40.373 12.176 1.00 35.38 ? ? ? ? ? ? 695 GLU A O 1 -ATOM 5402 C CB . GLU A 1 695 ? 53.658 42.402 13.667 1.00 35.33 ? ? ? ? ? ? 695 GLU A CB 1 -ATOM 5403 C CG . GLU A 1 695 ? 53.453 43.254 14.934 1.00 34.99 ? ? ? ? ? ? 695 GLU A CG 1 -ATOM 5404 C CD . GLU A 1 695 ? 54.083 42.643 16.186 1.00 35.67 ? ? ? ? ? ? 695 GLU A CD 1 -ATOM 5405 O OE1 . GLU A 1 695 ? 55.041 41.858 16.046 1.00 36.30 ? ? ? ? ? ? 695 GLU A OE1 1 -ATOM 5406 O OE2 . GLU A 1 695 ? 53.625 42.942 17.315 1.00 35.16 ? ? ? ? ? ? 695 GLU A OE2 1 -ATOM 5407 N N . GLN A 1 696 ? 55.028 41.937 10.657 1.00 36.72 ? ? ? ? ? ? 696 GLN A N 1 -ATOM 5408 C CA . GLN A 1 696 ? 55.243 41.067 9.498 1.00 37.67 ? ? ? ? ? ? 696 GLN A CA 1 -ATOM 5409 C C . GLN A 1 696 ? 56.666 41.258 8.980 1.00 37.80 ? ? ? ? ? ? 696 GLN A C 1 -ATOM 5410 O O . GLN A 1 696 ? 57.167 40.424 8.214 1.00 37.45 ? ? ? ? ? ? 696 GLN A O 1 -ATOM 5411 C CB . GLN A 1 696 ? 54.262 41.370 8.369 1.00 38.44 ? ? ? ? ? ? 696 GLN A CB 1 -ATOM 5412 C CG . GLN A 1 696 ? 54.277 40.328 7.239 1.00 40.41 ? ? ? ? ? ? 696 GLN A CG 1 -ATOM 5413 C CD . GLN A 1 696 ? 53.510 39.043 7.570 1.00 41.67 ? ? ? ? ? ? 696 GLN A CD 1 -ATOM 5414 O OE1 . GLN A 1 696 ? 53.677 38.024 6.904 1.00 43.02 ? ? ? ? ? ? 696 GLN A OE1 1 -ATOM 5415 N NE2 . GLN A 1 696 ? 52.648 39.097 8.577 1.00 42.56 ? ? ? ? ? ? 696 GLN A NE2 1 -ATOM 5416 N N . TYR A 1 697 ? 57.293 42.371 9.371 1.00 36.50 ? ? ? ? ? ? 697 TYR A N 1 -ATOM 5417 C CA . TYR A 1 697 ? 58.671 42.659 8.973 1.00 35.98 ? ? ? ? ? ? 697 TYR A CA 1 -ATOM 5418 C C . TYR A 1 697 ? 59.586 41.694 9.737 1.00 34.80 ? ? ? ? ? ? 697 TYR A C 1 -ATOM 5419 O O . TYR A 1 697 ? 60.448 41.032 9.146 1.00 32.84 ? ? ? ? ? ? 697 TYR A O 1 -ATOM 5420 C CB . TYR A 1 697 ? 59.049 44.121 9.286 1.00 36.50 ? ? ? ? ? ? 697 TYR A CB 1 -ATOM 5421 C CG . TYR A 1 697 ? 60.446 44.509 8.827 1.00 35.66 ? ? ? ? ? ? 697 TYR A CG 1 -ATOM 5422 C CD1 . TYR A 1 697 ? 60.773 44.527 7.470 1.00 35.45 ? ? ? ? ? ? 697 TYR A CD1 1 -ATOM 5423 C CD2 . TYR A 1 697 ? 61.459 44.774 9.751 1.00 34.25 ? ? ? ? ? ? 697 TYR A CD2 1 -ATOM 5424 C CE1 . TYR A 1 697 ? 62.079 44.783 7.048 1.00 35.46 ? ? ? ? ? ? 697 TYR A CE1 1 -ATOM 5425 C CE2 . TYR A 1 697 ? 62.757 45.033 9.339 1.00 33.50 ? ? ? ? ? ? 697 TYR A CE2 1 -ATOM 5426 C CZ . TYR A 1 697 ? 63.062 45.027 7.988 1.00 34.18 ? ? ? ? ? ? 697 TYR A CZ 1 -ATOM 5427 O OH . TYR A 1 697 ? 64.359 45.202 7.576 1.00 34.81 ? ? ? ? ? ? 697 TYR A OH 1 -ATOM 5428 N N . VAL A 1 698 ? 59.383 41.618 11.051 1.00 33.48 ? ? ? ? ? ? 698 VAL A N 1 -ATOM 5429 C CA . VAL A 1 698 ? 60.162 40.721 11.888 1.00 32.78 ? ? ? ? ? ? 698 VAL A CA 1 -ATOM 5430 C C . VAL A 1 698 ? 60.007 39.315 11.321 1.00 34.15 ? ? ? ? ? ? 698 VAL A C 1 -ATOM 5431 O O . VAL A 1 698 ? 61.003 38.629 11.083 1.00 34.59 ? ? ? ? ? ? 698 VAL A O 1 -ATOM 5432 C CB . VAL A 1 698 ? 59.676 40.739 13.347 1.00 31.83 ? ? ? ? ? ? 698 VAL A CB 1 -ATOM 5433 C CG1 . VAL A 1 698 ? 60.347 39.643 14.136 1.00 31.24 ? ? ? ? ? ? 698 VAL A CG1 1 -ATOM 5434 C CG2 . VAL A 1 698 ? 59.970 42.075 13.976 1.00 31.52 ? ? ? ? ? ? 698 VAL A CG2 1 -ATOM 5435 N N . ILE A 1 699 ? 58.761 38.911 11.064 1.00 34.57 ? ? ? ? ? ? 699 ILE A N 1 -ATOM 5436 C CA . ILE A 1 699 ? 58.481 37.591 10.496 1.00 34.57 ? ? ? ? ? ? 699 ILE A CA 1 -ATOM 5437 C C . ILE A 1 699 ? 59.189 37.375 9.167 1.00 34.85 ? ? ? ? ? ? 699 ILE A C 1 -ATOM 5438 O O . ILE A 1 699 ? 60.044 36.504 9.052 1.00 35.49 ? ? ? ? ? ? 699 ILE A O 1 -ATOM 5439 C CB . ILE A 1 699 ? 56.974 37.345 10.299 1.00 34.14 ? ? ? ? ? ? 699 ILE A CB 1 -ATOM 5440 C CG1 . ILE A 1 699 ? 56.271 37.281 11.660 1.00 33.62 ? ? ? ? ? ? 699 ILE A CG1 1 -ATOM 5441 C CG2 . ILE A 1 699 ? 56.746 36.062 9.503 1.00 32.17 ? ? ? ? ? ? 699 ILE A CG2 1 -ATOM 5442 C CD1 . ILE A 1 699 ? 54.898 36.665 11.602 1.00 34.23 ? ? ? ? ? ? 699 ILE A CD1 1 -ATOM 5443 N N . ASP A 1 700 ? 58.872 38.186 8.172 1.00 35.66 ? ? ? ? ? ? 700 ASP A N 1 -ATOM 5444 C CA . ASP A 1 700 ? 59.515 38.035 6.874 1.00 38.03 ? ? ? ? ? ? 700 ASP A CA 1 -ATOM 5445 C C . ASP A 1 700 ? 61.038 37.993 6.976 1.00 38.88 ? ? ? ? ? ? 700 ASP A C 1 -ATOM 5446 O O . ASP A 1 700 ? 61.661 37.071 6.431 1.00 39.25 ? ? ? ? ? ? 700 ASP A O 1 -ATOM 5447 C CB . ASP A 1 700 ? 59.061 39.138 5.913 1.00 40.05 ? ? ? ? ? ? 700 ASP A CB 1 -ATOM 5448 C CG . ASP A 1 700 ? 57.581 39.059 5.600 1.00 40.49 ? ? ? ? ? ? 700 ASP A CG 1 -ATOM 5449 O OD1 . ASP A 1 700 ? 56.983 37.980 5.799 1.00 41.57 ? ? ? ? ? ? 700 ASP A OD1 1 -ATOM 5450 O OD2 . ASP A 1 700 ? 57.012 40.077 5.165 1.00 40.54 ? ? ? ? ? ? 700 ASP A OD2 1 -ATOM 5451 N N . GLU A 1 701 ? 61.615 38.953 7.713 1.00 39.42 ? ? ? ? ? ? 701 GLU A N 1 -ATOM 5452 C CA . GLU A 1 701 ? 63.069 39.060 7.935 1.00 38.84 ? ? ? ? ? ? 701 GLU A CA 1 -ATOM 5453 C C . GLU A 1 701 ? 63.683 37.870 8.663 1.00 38.67 ? ? ? ? ? ? 701 GLU A C 1 -ATOM 5454 O O . GLU A 1 701 ? 64.850 37.526 8.445 1.00 39.56 ? ? ? ? ? ? 701 GLU A O 1 -ATOM 5455 C CB . GLU A 1 701 ? 63.400 40.329 8.710 1.00 39.13 ? ? ? ? ? ? 701 GLU A CB 1 -ATOM 5456 C CG . GLU A 1 701 ? 63.301 41.602 7.878 1.00 41.79 ? ? ? ? ? ? 701 GLU A CG 1 -ATOM 5457 C CD . GLU A 1 701 ? 64.265 41.615 6.699 1.00 42.40 ? ? ? ? ? ? 701 GLU A CD 1 -ATOM 5458 O OE1 . GLU A 1 701 ? 65.491 41.691 6.935 1.00 44.01 ? ? ? ? ? ? 701 GLU A OE1 1 -ATOM 5459 O OE2 . GLU A 1 701 ? 63.800 41.538 5.540 1.00 41.51 ? ? ? ? ? ? 701 GLU A OE2 1 -ATOM 5460 N N . TYR A 1 702 ? 62.906 37.258 9.547 1.00 37.91 ? ? ? ? ? ? 702 TYR A N 1 -ATOM 5461 C CA . TYR A 1 702 ? 63.366 36.101 10.289 1.00 37.18 ? ? ? ? ? ? 702 TYR A CA 1 -ATOM 5462 C C . TYR A 1 702 ? 63.333 34.913 9.345 1.00 37.07 ? ? ? ? ? ? 702 TYR A C 1 -ATOM 5463 O O . TYR A 1 702 ? 64.329 34.188 9.194 1.00 36.41 ? ? ? ? ? ? 702 TYR A O 1 -ATOM 5464 C CB . TYR A 1 702 ? 62.427 35.838 11.454 1.00 37.32 ? ? ? ? ? ? 702 TYR A CB 1 -ATOM 5465 C CG . TYR A 1 702 ? 62.904 34.801 12.443 1.00 37.86 ? ? ? ? ? ? 702 TYR A CG 1 -ATOM 5466 C CD1 . TYR A 1 702 ? 64.261 34.481 12.577 1.00 37.11 ? ? ? ? ? ? 702 TYR A CD1 1 -ATOM 5467 C CD2 . TYR A 1 702 ? 61.997 34.185 13.296 1.00 37.73 ? ? ? ? ? ? 702 TYR A CD2 1 -ATOM 5468 C CE1 . TYR A 1 702 ? 64.682 33.578 13.546 1.00 37.67 ? ? ? ? ? ? 702 TYR A CE1 1 -ATOM 5469 C CE2 . TYR A 1 702 ? 62.404 33.289 14.257 1.00 37.19 ? ? ? ? ? ? 702 TYR A CE2 1 -ATOM 5470 C CZ . TYR A 1 702 ? 63.736 32.984 14.385 1.00 38.13 ? ? ? ? ? ? 702 TYR A CZ 1 -ATOM 5471 O OH . TYR A 1 702 ? 64.096 32.076 15.356 1.00 39.69 ? ? ? ? ? ? 702 TYR A OH 1 -ATOM 5472 N N . ASN A 1 703 ? 62.182 34.743 8.699 1.00 35.78 ? ? ? ? ? ? 703 ASN A N 1 -ATOM 5473 C CA . ASN A 1 703 ? 61.955 33.657 7.760 1.00 35.68 ? ? ? ? ? ? 703 ASN A CA 1 -ATOM 5474 C C . ASN A 1 703 ? 63.007 33.659 6.637 1.00 35.17 ? ? ? ? ? ? 703 ASN A C 1 -ATOM 5475 O O . ASN A 1 703 ? 63.477 32.596 6.199 1.00 34.16 ? ? ? ? ? ? 703 ASN A O 1 -ATOM 5476 C CB . ASN A 1 703 ? 60.525 33.745 7.191 1.00 36.53 ? ? ? ? ? ? 703 ASN A CB 1 -ATOM 5477 C CG . ASN A 1 703 ? 59.441 33.291 8.194 1.00 35.88 ? ? ? ? ? ? 703 ASN A CG 1 -ATOM 5478 O OD1 . ASN A 1 703 ? 59.351 33.789 9.317 1.00 35.35 ? ? ? ? ? ? 703 ASN A OD1 1 -ATOM 5479 N ND2 . ASN A 1 703 ? 58.614 32.352 7.773 1.00 35.38 ? ? ? ? ? ? 703 ASN A ND2 1 -ATOM 5480 N N . LYS A 1 704 ? 63.373 34.849 6.171 1.00 34.65 ? ? ? ? ? ? 704 LYS A N 1 -ATOM 5481 C CA . LYS A 1 704 ? 64.388 34.983 5.128 1.00 34.64 ? ? ? ? ? ? 704 LYS A CA 1 -ATOM 5482 C C . LYS A 1 704 ? 65.692 34.370 5.634 1.00 33.82 ? ? ? ? ? ? 704 LYS A C 1 -ATOM 5483 O O . LYS A 1 704 ? 66.224 33.448 5.025 1.00 33.27 ? ? ? ? ? ? 704 LYS A O 1 -ATOM 5484 C CB . LYS A 1 704 ? 64.604 36.468 4.759 1.00 35.13 ? ? ? ? ? ? 704 LYS A CB 1 -ATOM 5485 C CG . LYS A 1 704 ? 63.478 37.060 3.933 1.00 35.70 ? ? ? ? ? ? 704 LYS A CG 1 -ATOM 5486 C CD . LYS A 1 704 ? 63.416 38.569 4.042 1.00 37.15 ? ? ? ? ? ? 704 LYS A CD 1 -ATOM 5487 C CE . LYS A 1 704 ? 62.153 39.125 3.353 1.00 38.52 ? ? ? ? ? ? 704 LYS A CE 1 -ATOM 5488 N NZ . LYS A 1 704 ? 61.768 40.521 3.791 1.00 38.96 ? ? ? ? ? ? 704 LYS A NZ 1 -ATOM 5489 N N . LEU A 1 705 ? 66.166 34.851 6.782 1.00 33.04 ? ? ? ? ? ? 705 LEU A N 1 -ATOM 5490 C CA . LEU A 1 705 ? 67.405 34.355 7.379 1.00 32.23 ? ? ? ? ? ? 705 LEU A CA 1 -ATOM 5491 C C . LEU A 1 705 ? 67.345 32.866 7.674 1.00 31.74 ? ? ? ? ? ? 705 LEU A C 1 -ATOM 5492 O O . LEU A 1 705 ? 68.319 32.155 7.447 1.00 32.55 ? ? ? ? ? ? 705 LEU A O 1 -ATOM 5493 C CB . LEU A 1 705 ? 67.739 35.111 8.679 1.00 31.79 ? ? ? ? ? ? 705 LEU A CB 1 -ATOM 5494 C CG . LEU A 1 705 ? 68.964 34.610 9.462 1.00 29.27 ? ? ? ? ? ? 705 LEU A CG 1 -ATOM 5495 C CD1 . LEU A 1 705 ? 70.224 35.011 8.735 1.00 29.75 ? ? ? ? ? ? 705 LEU A CD1 1 -ATOM 5496 C CD2 . LEU A 1 705 ? 68.979 35.159 10.855 1.00 27.39 ? ? ? ? ? ? 705 LEU A CD2 1 -ATOM 5497 N N . LYS A 1 706 ? 66.218 32.398 8.198 1.00 30.91 ? ? ? ? ? ? 706 LYS A N 1 -ATOM 5498 C CA . LYS A 1 706 ? 66.085 30.987 8.526 1.00 30.42 ? ? ? ? ? ? 706 LYS A CA 1 -ATOM 5499 C C . LYS A 1 706 ? 66.140 30.089 7.304 1.00 29.22 ? ? ? ? ? ? 706 LYS A C 1 -ATOM 5500 O O . LYS A 1 706 ? 66.798 29.055 7.339 1.00 29.81 ? ? ? ? ? ? 706 LYS A O 1 -ATOM 5501 C CB . LYS A 1 706 ? 64.813 30.721 9.345 1.00 31.86 ? ? ? ? ? ? 706 LYS A CB 1 -ATOM 5502 C CG . LYS A 1 706 ? 64.887 31.165 10.795 1.00 32.97 ? ? ? ? ? ? 706 LYS A CG 1 -ATOM 5503 C CD . LYS A 1 706 ? 63.505 31.307 11.428 1.00 34.74 ? ? ? ? ? ? 706 LYS A CD 1 -ATOM 5504 C CE . LYS A 1 706 ? 63.092 30.059 12.187 1.00 37.61 ? ? ? ? ? ? 706 LYS A CE 1 -ATOM 5505 N NZ . LYS A 1 706 ? 61.954 30.293 13.133 1.00 37.46 ? ? ? ? ? ? 706 LYS A NZ 1 -ATOM 5506 N N . THR A 1 707 ? 65.473 30.476 6.219 1.00 29.10 ? ? ? ? ? ? 707 THR A N 1 -ATOM 5507 C CA . THR A 1 707 ? 65.480 29.651 5.005 1.00 29.36 ? ? ? ? ? ? 707 THR A CA 1 -ATOM 5508 C C . THR A 1 707 ? 66.842 29.748 4.360 1.00 27.99 ? ? ? ? ? ? 707 THR A C 1 -ATOM 5509 O O . THR A 1 707 ? 67.393 28.754 3.915 1.00 28.44 ? ? ? ? ? ? 707 THR A O 1 -ATOM 5510 C CB . THR A 1 707 ? 64.432 30.089 3.989 1.00 29.14 ? ? ? ? ? ? 707 THR A CB 1 -ATOM 5511 O OG1 . THR A 1 707 ? 64.679 31.442 3.638 1.00 33.66 ? ? ? ? ? ? 707 THR A OG1 1 -ATOM 5512 C CG2 . THR A 1 707 ? 63.042 29.993 4.572 1.00 30.19 ? ? ? ? ? ? 707 THR A CG2 1 -ATOM 5513 N N . ARG A 1 708 ? 67.382 30.959 4.349 1.00 27.48 ? ? ? ? ? ? 708 ARG A N 1 -ATOM 5514 C CA . ARG A 1 708 ? 68.704 31.245 3.806 1.00 27.89 ? ? ? ? ? ? 708 ARG A CA 1 -ATOM 5515 C C . ARG A 1 708 ? 69.719 30.251 4.369 1.00 28.43 ? ? ? ? ? ? 708 ARG A C 1 -ATOM 5516 O O . ARG A 1 708 ? 70.322 29.456 3.626 1.00 28.51 ? ? ? ? ? ? 708 ARG A O 1 -ATOM 5517 C CB . ARG A 1 708 ? 69.124 32.662 4.212 1.00 29.13 ? ? ? ? ? ? 708 ARG A CB 1 -ATOM 5518 C CG . ARG A 1 708 ? 70.517 33.036 3.758 1.00 30.33 ? ? ? ? ? ? 708 ARG A CG 1 -ATOM 5519 C CD . ARG A 1 708 ? 71.084 34.191 4.533 1.00 28.89 ? ? ? ? ? ? 708 ARG A CD 1 -ATOM 5520 N NE . ARG A 1 708 ? 72.501 33.943 4.789 1.00 28.37 ? ? ? ? ? ? 708 ARG A NE 1 -ATOM 5521 C CZ . ARG A 1 708 ? 73.149 34.419 5.839 1.00 29.08 ? ? ? ? ? ? 708 ARG A CZ 1 -ATOM 5522 N NH1 . ARG A 1 708 ? 72.498 35.166 6.725 1.00 31.41 ? ? ? ? ? ? 708 ARG A NH1 1 -ATOM 5523 N NH2 . ARG A 1 708 ? 74.441 34.173 5.999 1.00 28.68 ? ? ? ? ? ? 708 ARG A NH2 1 -ATOM 5524 N N . LEU A 1 709 ? 69.904 30.330 5.689 1.00 27.67 ? ? ? ? ? ? 709 LEU A N 1 -ATOM 5525 C CA . LEU A 1 709 ? 70.801 29.462 6.433 1.00 26.32 ? ? ? ? ? ? 709 LEU A CA 1 -ATOM 5526 C C . LEU A 1 709 ? 70.468 28.006 6.206 1.00 26.90 ? ? ? ? ? ? 709 LEU A C 1 -ATOM 5527 O O . LEU A 1 709 ? 71.366 27.168 6.143 1.00 27.76 ? ? ? ? ? ? 709 LEU A O 1 -ATOM 5528 C CB . LEU A 1 709 ? 70.688 29.755 7.927 1.00 24.75 ? ? ? ? ? ? 709 LEU A CB 1 -ATOM 5529 C CG . LEU A 1 709 ? 71.414 30.992 8.444 1.00 23.66 ? ? ? ? ? ? 709 LEU A CG 1 -ATOM 5530 C CD1 . LEU A 1 709 ? 71.019 31.272 9.882 1.00 20.77 ? ? ? ? ? ? 709 LEU A CD1 1 -ATOM 5531 C CD2 . LEU A 1 709 ? 72.926 30.813 8.286 1.00 21.46 ? ? ? ? ? ? 709 LEU A CD2 1 -ATOM 5532 N N . ARG A 1 710 ? 69.178 27.700 6.091 1.00 27.73 ? ? ? ? ? ? 710 ARG A N 1 -ATOM 5533 C CA . ARG A 1 710 ? 68.725 26.326 5.882 1.00 29.33 ? ? ? ? ? ? 710 ARG A CA 1 -ATOM 5534 C C . ARG A 1 710 ? 69.145 25.721 4.534 1.00 29.57 ? ? ? ? ? ? 710 ARG A C 1 -ATOM 5535 O O . ARG A 1 710 ? 69.599 24.578 4.450 1.00 28.16 ? ? ? ? ? ? 710 ARG A O 1 -ATOM 5536 C CB . ARG A 1 710 ? 67.222 26.266 6.031 1.00 30.18 ? ? ? ? ? ? 710 ARG A CB 1 -ATOM 5537 C CG . ARG A 1 710 ? 66.710 24.893 6.272 1.00 32.47 ? ? ? ? ? ? 710 ARG A CG 1 -ATOM 5538 C CD . ARG A 1 710 ? 65.232 24.918 6.504 1.00 34.82 ? ? ? ? ? ? 710 ARG A CD 1 -ATOM 5539 N NE . ARG A 1 710 ? 64.676 23.632 6.124 1.00 39.98 ? ? ? ? ? ? 710 ARG A NE 1 -ATOM 5540 C CZ . ARG A 1 710 ? 64.459 22.633 6.967 1.00 41.35 ? ? ? ? ? ? 710 ARG A CZ 1 -ATOM 5541 N NH1 . ARG A 1 710 ? 64.738 22.773 8.258 1.00 39.66 ? ? ? ? ? ? 710 ARG A NH1 1 -ATOM 5542 N NH2 . ARG A 1 710 ? 64.005 21.476 6.499 1.00 44.38 ? ? ? ? ? ? 710 ARG A NH2 1 -ATOM 5543 N N . GLU A 1 711 ? 69.011 26.508 3.483 1.00 30.70 ? ? ? ? ? ? 711 GLU A N 1 -ATOM 5544 C CA . GLU A 1 711 ? 69.390 26.070 2.163 1.00 32.09 ? ? ? ? ? ? 711 GLU A CA 1 -ATOM 5545 C C . GLU A 1 711 ? 70.884 25.786 2.118 1.00 31.49 ? ? ? ? ? ? 711 GLU A C 1 -ATOM 5546 O O . GLU A 1 711 ? 71.305 24.834 1.489 1.00 32.42 ? ? ? ? ? ? 711 GLU A O 1 -ATOM 5547 C CB . GLU A 1 711 ? 68.997 27.133 1.127 1.00 34.58 ? ? ? ? ? ? 711 GLU A CB 1 -ATOM 5548 C CG . GLU A 1 711 ? 67.482 27.307 0.974 1.00 38.45 ? ? ? ? ? ? 711 GLU A CG 1 -ATOM 5549 C CD . GLU A 1 711 ? 67.079 28.457 0.053 1.00 43.25 ? ? ? ? ? ? 711 GLU A CD 1 -ATOM 5550 O OE1 . GLU A 1 711 ? 67.932 29.313 -0.285 1.00 46.73 ? ? ? ? ? ? 711 GLU A OE1 1 -ATOM 5551 O OE2 . GLU A 1 711 ? 65.890 28.518 -0.332 1.00 45.23 ? ? ? ? ? ? 711 GLU A OE2 1 -ATOM 5552 N N . ALA A 1 712 ? 71.677 26.592 2.815 1.00 31.32 ? ? ? ? ? ? 712 ALA A N 1 -ATOM 5553 C CA . ALA A 1 712 ? 73.134 26.425 2.845 1.00 31.27 ? ? ? ? ? ? 712 ALA A CA 1 -ATOM 5554 C C . ALA A 1 712 ? 73.545 25.161 3.559 1.00 32.40 ? ? ? ? ? ? 712 ALA A C 1 -ATOM 5555 O O . ALA A 1 712 ? 74.538 24.528 3.211 1.00 33.38 ? ? ? ? ? ? 712 ALA A O 1 -ATOM 5556 C CB . ALA A 1 712 ? 73.780 27.603 3.530 1.00 30.73 ? ? ? ? ? ? 712 ALA A CB 1 -ATOM 5557 N N . ALA A 1 713 ? 72.812 24.824 4.607 1.00 33.09 ? ? ? ? ? ? 713 ALA A N 1 -ATOM 5558 C CA . ALA A 1 713 ? 73.148 23.650 5.365 1.00 33.51 ? ? ? ? ? ? 713 ALA A CA 1 -ATOM 5559 C C . ALA A 1 713 ? 72.687 22.379 4.698 1.00 33.61 ? ? ? ? ? ? 713 ALA A C 1 -ATOM 5560 O O . ALA A 1 713 ? 73.465 21.433 4.551 1.00 32.85 ? ? ? ? ? ? 713 ALA A O 1 -ATOM 5561 C CB . ALA A 1 713 ? 72.576 23.750 6.760 1.00 32.47 ? ? ? ? ? ? 713 ALA A CB 1 -ATOM 5562 N N . LEU A 1 714 ? 71.443 22.391 4.234 1.00 35.33 ? ? ? ? ? ? 714 LEU A N 1 -ATOM 5563 C CA . LEU A 1 714 ? 70.840 21.209 3.628 1.00 37.14 ? ? ? ? ? ? 714 LEU A CA 1 -ATOM 5564 C C . LEU A 1 714 ? 70.815 21.158 2.101 1.00 38.31 ? ? ? ? ? ? 714 LEU A C 1 -ATOM 5565 O O . LEU A 1 714 ? 69.831 20.673 1.533 1.00 39.07 ? ? ? ? ? ? 714 LEU A O 1 -ATOM 5566 C CB . LEU A 1 714 ? 69.412 21.013 4.186 1.00 36.51 ? ? ? ? ? ? 714 LEU A CB 1 -ATOM 5567 C CG . LEU A 1 714 ? 69.132 21.197 5.699 1.00 36.88 ? ? ? ? ? ? 714 LEU A CG 1 -ATOM 5568 C CD1 . LEU A 1 714 ? 67.673 20.831 5.999 1.00 37.67 ? ? ? ? ? ? 714 LEU A CD1 1 -ATOM 5569 C CD2 . LEU A 1 714 ? 70.053 20.351 6.569 1.00 35.44 ? ? ? ? ? ? 714 LEU A CD2 1 -ATOM 5570 N N . ALA A 1 715 ? 71.907 21.565 1.445 1.00 39.95 ? ? ? ? ? ? 715 ALA A N 1 -ATOM 5571 C CA . ALA A 1 715 ? 71.994 21.543 -0.020 1.00 41.84 ? ? ? ? ? ? 715 ALA A CA 1 -ATOM 5572 C C . ALA A 1 715 ? 73.346 20.992 -0.510 1.00 43.09 ? ? ? ? ? ? 715 ALA A C 1 -ATOM 5573 O O . ALA A 1 715 ? 73.399 20.392 -1.624 1.00 42.95 ? ? ? ? ? ? 715 ALA A O 1 -ATOM 5574 C CB . ALA A 1 715 ? 71.762 22.950 -0.589 1.00 40.98 ? ? ? ? ? ? 715 ALA A CB 1 -ATOM 5575 O OXT . ALA A 1 715 ? 74.332 21.146 0.246 1.00 44.19 ? ? ? ? ? ? 715 ALA A OXT 1 -HETATM 5576 FE FE1 . SF4 B 2 . ? 72.707 27.217 34.534 1.00 11.23 ? ? ? ? ? ? 800 SF4 A FE1 1 -HETATM 5577 FE FE2 . SF4 B 2 . ? 74.494 25.674 33.185 1.00 14.16 ? ? ? ? ? ? 800 SF4 A FE2 1 -HETATM 5578 FE FE3 . SF4 B 2 . ? 74.740 25.762 35.860 1.00 12.89 ? ? ? ? ? ? 800 SF4 A FE3 1 -HETATM 5579 FE FE4 . SF4 B 2 . ? 75.077 27.921 34.299 1.00 13.29 ? ? ? ? ? ? 800 SF4 A FE4 1 -HETATM 5580 S S1 . SF4 B 2 . ? 76.400 26.011 34.379 1.00 14.35 ? ? ? ? ? ? 800 SF4 A S1 1 -HETATM 5581 S S2 . SF4 B 2 . ? 73.999 27.980 36.255 1.00 13.87 ? ? ? ? ? ? 800 SF4 A S2 1 -HETATM 5582 S S3 . SF4 B 2 . ? 73.679 27.650 32.472 1.00 14.58 ? ? ? ? ? ? 800 SF4 A S3 1 -HETATM 5583 S S4 . SF4 B 2 . ? 72.941 24.932 34.687 1.00 14.86 ? ? ? ? ? ? 800 SF4 A S4 1 -HETATM 5584 P PB . MGD C 3 . ? 79.057 31.483 21.133 1.00 21.59 ? ? ? ? ? ? 801 MGD A PB 1 -HETATM 5585 O O1B . MGD C 3 . ? 77.921 32.301 20.718 1.00 21.03 ? ? ? ? ? ? 801 MGD A O1B 1 -HETATM 5586 O O2B . MGD C 3 . ? 78.885 30.532 22.269 1.00 22.72 ? ? ? ? ? ? 801 MGD A O2B 1 -HETATM 5587 O O3B . MGD C 3 . ? 80.167 32.586 21.396 1.00 23.23 ? ? ? ? ? ? 801 MGD A O3B 1 -HETATM 5588 O O3A . MGD C 3 . ? 80.794 35.057 21.501 1.00 25.18 ? ? ? ? ? ? 801 MGD A O3A 1 -HETATM 5589 P PA . MGD C 3 . ? 80.486 33.857 20.483 1.00 24.97 ? ? ? ? ? ? 801 MGD A PA 1 -HETATM 5590 O O1A . MGD C 3 . ? 81.715 33.611 19.686 1.00 26.53 ? ? ? ? ? ? 801 MGD A O1A 1 -HETATM 5591 O O2A . MGD C 3 . ? 79.280 34.152 19.732 1.00 26.68 ? ? ? ? ? ? 801 MGD A O2A 1 -HETATM 5592 O "O5'" . MGD C 3 . ? 79.648 30.698 19.862 1.00 18.92 ? ? ? ? ? ? 801 MGD A "O5'" 1 -HETATM 5593 C "C5'" . MGD C 3 . ? 79.940 29.302 19.954 1.00 16.40 ? ? ? ? ? ? 801 MGD A "C5'" 1 -HETATM 5594 C "C4'" . MGD C 3 . ? 79.979 28.727 18.548 1.00 17.67 ? ? ? ? ? ? 801 MGD A "C4'" 1 -HETATM 5595 O "O4'" . MGD C 3 . ? 80.630 27.467 18.576 1.00 18.71 ? ? ? ? ? ? 801 MGD A "O4'" 1 -HETATM 5596 C "C3'" . MGD C 3 . ? 78.574 28.495 17.969 1.00 18.04 ? ? ? ? ? ? 801 MGD A "C3'" 1 -HETATM 5597 O "O3'" . MGD C 3 . ? 78.580 28.593 16.537 1.00 12.85 ? ? ? ? ? ? 801 MGD A "O3'" 1 -HETATM 5598 C "C2'" . MGD C 3 . ? 78.317 27.039 18.394 1.00 19.03 ? ? ? ? ? ? 801 MGD A "C2'" 1 -HETATM 5599 O "O2'" . MGD C 3 . ? 77.345 26.442 17.515 1.00 19.79 ? ? ? ? ? ? 801 MGD A "O2'" 1 -HETATM 5600 C "C1'" . MGD C 3 . ? 79.714 26.455 18.189 1.00 18.79 ? ? ? ? ? ? 801 MGD A "C1'" 1 -HETATM 5601 N N9 . MGD C 3 . ? 80.018 25.253 18.960 1.00 19.05 ? ? ? ? ? ? 801 MGD A N9 1 -HETATM 5602 C C8 . MGD C 3 . ? 79.511 24.729 20.142 1.00 19.90 ? ? ? ? ? ? 801 MGD A C8 1 -HETATM 5603 N N7 . MGD C 3 . ? 80.119 23.628 20.555 1.00 18.57 ? ? ? ? ? ? 801 MGD A N7 1 -HETATM 5604 C C5 . MGD C 3 . ? 81.078 23.416 19.578 1.00 17.71 ? ? ? ? ? ? 801 MGD A C5 1 -HETATM 5605 C C6 . MGD C 3 . ? 82.033 22.405 19.430 1.00 16.94 ? ? ? ? ? ? 801 MGD A C6 1 -HETATM 5606 O O6 . MGD C 3 . ? 82.139 21.418 20.151 1.00 16.66 ? ? ? ? ? ? 801 MGD A O6 1 -HETATM 5607 N N1 . MGD C 3 . ? 82.803 22.558 18.307 1.00 17.07 ? ? ? ? ? ? 801 MGD A N1 1 -HETATM 5608 C C2 . MGD C 3 . ? 82.693 23.571 17.400 1.00 16.08 ? ? ? ? ? ? 801 MGD A C2 1 -HETATM 5609 N N2 . MGD C 3 . ? 83.511 23.523 16.371 1.00 16.58 ? ? ? ? ? ? 801 MGD A N2 1 -HETATM 5610 N N3 . MGD C 3 . ? 81.797 24.537 17.519 1.00 16.50 ? ? ? ? ? ? 801 MGD A N3 1 -HETATM 5611 C C4 . MGD C 3 . ? 81.024 24.406 18.612 1.00 18.49 ? ? ? ? ? ? 801 MGD A C4 1 -HETATM 5612 C C10 . MGD C 3 . ? 80.188 35.356 22.733 1.00 24.98 ? ? ? ? ? ? 801 MGD A C10 1 -HETATM 5613 C C11 . MGD C 3 . ? 80.685 36.788 23.001 1.00 25.14 ? ? ? ? ? ? 801 MGD A C11 1 -HETATM 5614 O O11 . MGD C 3 . ? 79.720 37.773 22.718 1.00 26.14 ? ? ? ? ? ? 801 MGD A O11 1 -HETATM 5615 C C12 . MGD C 3 . ? 81.136 36.989 24.427 1.00 24.90 ? ? ? ? ? ? 801 MGD A C12 1 -HETATM 5616 S S12 . MGD C 3 . ? 81.566 35.623 25.445 1.00 26.69 ? ? ? ? ? ? 801 MGD A S12 1 -HETATM 5617 C C13 . MGD C 3 . ? 81.116 38.256 24.997 1.00 24.47 ? ? ? ? ? ? 801 MGD A C13 1 -HETATM 5618 S S13 . MGD C 3 . ? 81.729 38.407 26.652 1.00 24.94 ? ? ? ? ? ? 801 MGD A S13 1 -HETATM 5619 C C14 . MGD C 3 . ? 80.617 39.460 24.219 1.00 23.46 ? ? ? ? ? ? 801 MGD A C14 1 -HETATM 5620 N N15 . MGD C 3 . ? 79.463 39.983 24.917 1.00 22.27 ? ? ? ? ? ? 801 MGD A N15 1 -HETATM 5621 C C16 . MGD C 3 . ? 78.720 40.882 24.201 1.00 23.80 ? ? ? ? ? ? 801 MGD A C16 1 -HETATM 5622 C C17 . MGD C 3 . ? 77.932 41.827 24.882 1.00 23.20 ? ? ? ? ? ? 801 MGD A C17 1 -HETATM 5623 O O17 . MGD C 3 . ? 77.936 41.898 26.105 1.00 21.06 ? ? ? ? ? ? 801 MGD A O17 1 -HETATM 5624 N N18 . MGD C 3 . ? 77.180 42.691 24.111 1.00 25.35 ? ? ? ? ? ? 801 MGD A N18 1 -HETATM 5625 C C19 . MGD C 3 . ? 77.175 42.665 22.742 1.00 24.50 ? ? ? ? ? ? 801 MGD A C19 1 -HETATM 5626 N N19 . MGD C 3 . ? 76.335 43.470 22.081 1.00 24.40 ? ? ? ? ? ? 801 MGD A N19 1 -HETATM 5627 N N20 . MGD C 3 . ? 77.931 41.777 22.110 1.00 24.56 ? ? ? ? ? ? 801 MGD A N20 1 -HETATM 5628 C C21 . MGD C 3 . ? 78.702 40.874 22.779 1.00 25.27 ? ? ? ? ? ? 801 MGD A C21 1 -HETATM 5629 N N22 . MGD C 3 . ? 79.445 39.989 22.050 1.00 25.15 ? ? ? ? ? ? 801 MGD A N22 1 -HETATM 5630 C C23 . MGD C 3 . ? 80.282 39.058 22.798 1.00 24.47 ? ? ? ? ? ? 801 MGD A C23 1 -HETATM 5631 P PB . MGD D 3 . ? 76.352 41.696 31.651 1.00 17.69 ? ? ? ? ? ? 802 MGD A PB 1 -HETATM 5632 O O1B . MGD D 3 . ? 75.056 41.170 32.039 1.00 17.72 ? ? ? ? ? ? 802 MGD A O1B 1 -HETATM 5633 O O2B . MGD D 3 . ? 76.663 41.892 30.210 1.00 19.38 ? ? ? ? ? ? 802 MGD A O2B 1 -HETATM 5634 O O3B . MGD D 3 . ? 77.460 40.710 32.197 1.00 19.05 ? ? ? ? ? ? 802 MGD A O3B 1 -HETATM 5635 O O3A . MGD D 3 . ? 77.610 38.347 32.758 1.00 18.16 ? ? ? ? ? ? 802 MGD A O3A 1 -HETATM 5636 P PA . MGD D 3 . ? 77.633 39.767 33.462 1.00 20.83 ? ? ? ? ? ? 802 MGD A PA 1 -HETATM 5637 O O1A . MGD D 3 . ? 78.998 40.069 33.994 1.00 22.61 ? ? ? ? ? ? 802 MGD A O1A 1 -HETATM 5638 O O2A . MGD D 3 . ? 76.457 39.952 34.347 1.00 19.45 ? ? ? ? ? ? 802 MGD A O2A 1 -HETATM 5639 O "O5'" . MGD D 3 . ? 76.609 43.044 32.452 1.00 19.14 ? ? ? ? ? ? 802 MGD A "O5'" 1 -HETATM 5640 C "C5'" . MGD D 3 . ? 76.720 43.061 33.863 1.00 18.38 ? ? ? ? ? ? 802 MGD A "C5'" 1 -HETATM 5641 C "C4'" . MGD D 3 . ? 76.171 44.346 34.422 1.00 19.01 ? ? ? ? ? ? 802 MGD A "C4'" 1 -HETATM 5642 O "O4'" . MGD D 3 . ? 77.000 45.456 34.195 1.00 19.84 ? ? ? ? ? ? 802 MGD A "O4'" 1 -HETATM 5643 C "C3'" . MGD D 3 . ? 74.841 44.686 33.771 1.00 19.56 ? ? ? ? ? ? 802 MGD A "C3'" 1 -HETATM 5644 O "O3'" . MGD D 3 . ? 73.841 44.494 34.758 1.00 18.21 ? ? ? ? ? ? 802 MGD A "O3'" 1 -HETATM 5645 C "C2'" . MGD D 3 . ? 74.989 46.165 33.374 1.00 22.18 ? ? ? ? ? ? 802 MGD A "C2'" 1 -HETATM 5646 O "O2'" . MGD D 3 . ? 73.848 46.980 33.699 1.00 24.31 ? ? ? ? ? ? 802 MGD A "O2'" 1 -HETATM 5647 C "C1'" . MGD D 3 . ? 76.129 46.571 34.261 1.00 22.71 ? ? ? ? ? ? 802 MGD A "C1'" 1 -HETATM 5648 N N9 . MGD D 3 . ? 76.695 47.885 33.835 1.00 24.53 ? ? ? ? ? ? 802 MGD A N9 1 -HETATM 5649 C C8 . MGD D 3 . ? 76.501 48.611 32.675 1.00 24.52 ? ? ? ? ? ? 802 MGD A C8 1 -HETATM 5650 N N7 . MGD D 3 . ? 77.144 49.758 32.686 1.00 25.46 ? ? ? ? ? ? 802 MGD A N7 1 -HETATM 5651 C C5 . MGD D 3 . ? 77.797 49.778 33.924 1.00 22.86 ? ? ? ? ? ? 802 MGD A C5 1 -HETATM 5652 C C6 . MGD D 3 . ? 78.643 50.735 34.532 1.00 23.67 ? ? ? ? ? ? 802 MGD A C6 1 -HETATM 5653 O O6 . MGD D 3 . ? 79.020 51.771 33.961 1.00 25.14 ? ? ? ? ? ? 802 MGD A O6 1 -HETATM 5654 N N1 . MGD D 3 . ? 79.079 50.398 35.798 1.00 22.07 ? ? ? ? ? ? 802 MGD A N1 1 -HETATM 5655 C C2 . MGD D 3 . ? 78.728 49.233 36.424 1.00 21.22 ? ? ? ? ? ? 802 MGD A C2 1 -HETATM 5656 N N2 . MGD D 3 . ? 79.173 48.973 37.656 1.00 20.70 ? ? ? ? ? ? 802 MGD A N2 1 -HETATM 5657 N N3 . MGD D 3 . ? 77.945 48.358 35.831 1.00 20.89 ? ? ? ? ? ? 802 MGD A N3 1 -HETATM 5658 C C4 . MGD D 3 . ? 77.516 48.661 34.614 1.00 21.99 ? ? ? ? ? ? 802 MGD A C4 1 -HETATM 5659 C C10 . MGD D 3 . ? 78.463 38.088 31.653 1.00 21.04 ? ? ? ? ? ? 802 MGD A C10 1 -HETATM 5660 C C11 . MGD D 3 . ? 78.548 36.588 31.399 1.00 24.97 ? ? ? ? ? ? 802 MGD A C11 1 -HETATM 5661 O O11 . MGD D 3 . ? 77.241 36.029 31.265 1.00 24.82 ? ? ? ? ? ? 802 MGD A O11 1 -HETATM 5662 C C12 . MGD D 3 . ? 79.376 36.268 30.158 1.00 26.24 ? ? ? ? ? ? 802 MGD A C12 1 -HETATM 5663 S S12 . MGD D 3 . ? 80.927 37.086 29.902 1.00 27.37 ? ? ? ? ? ? 802 MGD A S12 1 -HETATM 5664 C C13 . MGD D 3 . ? 78.937 35.257 29.269 1.00 25.56 ? ? ? ? ? ? 802 MGD A C13 1 -HETATM 5665 S S13 . MGD D 3 . ? 79.812 34.934 27.768 1.00 25.87 ? ? ? ? ? ? 802 MGD A S13 1 -HETATM 5666 C C14 . MGD D 3 . ? 77.665 34.484 29.564 1.00 25.24 ? ? ? ? ? ? 802 MGD A C14 1 -HETATM 5667 N N15 . MGD D 3 . ? 76.599 34.947 28.694 1.00 25.48 ? ? ? ? ? ? 802 MGD A N15 1 -HETATM 5668 C C16 . MGD D 3 . ? 75.327 34.585 29.088 1.00 25.30 ? ? ? ? ? ? 802 MGD A C16 1 -HETATM 5669 C C17 . MGD D 3 . ? 74.235 34.677 28.161 1.00 24.95 ? ? ? ? ? ? 802 MGD A C17 1 -HETATM 5670 O O17 . MGD D 3 . ? 74.401 34.871 26.952 1.00 22.56 ? ? ? ? ? ? 802 MGD A O17 1 -HETATM 5671 N N18 . MGD D 3 . ? 72.977 34.361 28.661 1.00 25.20 ? ? ? ? ? ? 802 MGD A N18 1 -HETATM 5672 C C19 . MGD D 3 . ? 72.792 33.964 29.960 1.00 24.86 ? ? ? ? ? ? 802 MGD A C19 1 -HETATM 5673 N N19 . MGD D 3 . ? 71.579 33.792 30.442 1.00 24.71 ? ? ? ? ? ? 802 MGD A N19 1 -HETATM 5674 N N20 . MGD D 3 . ? 73.819 33.856 30.785 1.00 25.71 ? ? ? ? ? ? 802 MGD A N20 1 -HETATM 5675 C C21 . MGD D 3 . ? 75.086 34.165 30.402 1.00 25.20 ? ? ? ? ? ? 802 MGD A C21 1 -HETATM 5676 N N22 . MGD D 3 . ? 76.093 34.017 31.309 1.00 24.42 ? ? ? ? ? ? 802 MGD A N22 1 -HETATM 5677 C C23 . MGD D 3 . ? 77.332 34.675 30.988 1.00 23.87 ? ? ? ? ? ? 802 MGD A C23 1 -HETATM 5678 MO MO . 6MO E 4 . ? 81.790 36.367 27.811 1.00 25.13 ? ? ? ? ? ? 803 6MO A MO 1 -HETATM 5679 O O . HOH F 5 . ? 81.358 38.259 34.297 1.00 24.12 ? ? ? ? ? ? 804 HOH A O 1 -HETATM 5680 O O . HOH F 5 . ? 80.409 21.561 39.837 1.00 12.20 ? ? ? ? ? ? 805 HOH A O 1 -HETATM 5681 O O . HOH F 5 . ? 80.037 14.428 6.768 1.00 20.21 ? ? ? ? ? ? 806 HOH A O 1 -HETATM 5682 O O . HOH F 5 . ? 95.810 16.515 1.749 1.00 14.32 ? ? ? ? ? ? 807 HOH A O 1 -HETATM 5683 O O . HOH F 5 . ? 84.522 59.799 54.567 1.00 42.64 ? ? ? ? ? ? 808 HOH A O 1 -HETATM 5684 O O . HOH F 5 . ? 87.359 45.090 54.214 1.00 27.25 ? ? ? ? ? ? 809 HOH A O 1 -HETATM 5685 O O . HOH F 5 . ? 87.324 41.864 47.800 1.00 21.09 ? ? ? ? ? ? 810 HOH A O 1 -HETATM 5686 O O . HOH F 5 . ? 84.945 29.168 31.957 1.00 4.52 ? ? ? ? ? ? 811 HOH A O 1 -HETATM 5687 O O . HOH F 5 . ? 105.599 29.979 19.702 1.00 2.74 ? ? ? ? ? ? 812 HOH A O 1 -HETATM 5688 O O . HOH F 5 . ? 94.045 40.256 3.432 1.00 2.00 ? ? ? ? ? ? 813 HOH A O 1 -HETATM 5689 O O . HOH F 5 . ? 80.072 29.504 14.018 1.00 17.24 ? ? ? ? ? ? 814 HOH A O 1 -HETATM 5690 O O . HOH F 5 . ? 84.836 18.132 19.331 1.00 49.70 ? ? ? ? ? ? 815 HOH A O 1 -HETATM 5691 O O . HOH F 5 . ? 79.214 15.100 26.489 1.00 19.99 ? ? ? ? ? ? 816 HOH A O 1 -HETATM 5692 O O . HOH F 5 . ? 85.303 16.223 37.244 1.00 8.62 ? ? ? ? ? ? 817 HOH A O 1 -HETATM 5693 O O . HOH F 5 . ? 93.303 13.363 13.527 1.00 67.43 ? ? ? ? ? ? 818 HOH A O 1 -HETATM 5694 O O . HOH F 5 . ? 73.450 13.032 18.238 1.00 11.85 ? ? ? ? ? ? 819 HOH A O 1 -HETATM 5695 O O . HOH F 5 . ? 84.144 22.916 34.781 1.00 14.44 ? ? ? ? ? ? 820 HOH A O 1 -HETATM 5696 O O . HOH F 5 . ? 80.161 25.175 32.892 1.00 11.56 ? ? ? ? ? ? 821 HOH A O 1 -HETATM 5697 O O . HOH F 5 . ? 83.181 25.080 33.483 1.00 22.54 ? ? ? ? ? ? 822 HOH A O 1 -HETATM 5698 O O . HOH F 5 . ? 61.014 34.591 30.958 1.00 43.61 ? ? ? ? ? ? 823 HOH A O 1 -HETATM 5699 O O . HOH F 5 . ? 76.138 20.713 6.701 1.00 38.77 ? ? ? ? ? ? 824 HOH A O 1 -HETATM 5700 O O . HOH F 5 . ? 89.195 32.135 37.198 1.00 19.28 ? ? ? ? ? ? 825 HOH A O 1 -HETATM 5701 O O . HOH F 5 . ? 96.026 47.595 41.456 1.00 19.60 ? ? ? ? ? ? 826 HOH A O 1 -HETATM 5702 O O . HOH F 5 . ? 71.793 20.954 28.676 1.00 54.73 ? ? ? ? ? ? 827 HOH A O 1 -HETATM 5703 O O . HOH F 5 . ? 78.456 21.815 22.410 1.00 21.87 ? ? ? ? ? ? 828 HOH A O 1 -HETATM 5704 O O . HOH F 5 . ? 81.931 18.796 40.832 1.00 16.07 ? ? ? ? ? ? 829 HOH A O 1 -HETATM 5705 O O . HOH F 5 . ? 66.609 29.986 36.766 1.00 8.38 ? ? ? ? ? ? 830 HOH A O 1 -HETATM 5706 O O . HOH F 5 . ? 73.469 31.792 33.224 1.00 19.68 ? ? ? ? ? ? 831 HOH A O 1 -HETATM 5707 O O . HOH F 5 . ? 69.227 21.216 17.131 1.00 20.12 ? ? ? ? ? ? 832 HOH A O 1 -HETATM 5708 O O . HOH F 5 . ? 69.221 22.034 14.334 1.00 16.58 ? ? ? ? ? ? 833 HOH A O 1 -HETATM 5709 O O . HOH F 5 . ? 84.183 15.210 -2.572 1.00 20.94 ? ? ? ? ? ? 834 HOH A O 1 -HETATM 5710 O O . HOH F 5 . ? 92.218 21.801 -4.426 1.00 40.82 ? ? ? ? ? ? 835 HOH A O 1 -HETATM 5711 O O . HOH F 5 . ? 103.031 18.676 1.949 1.00 26.69 ? ? ? ? ? ? 836 HOH A O 1 -HETATM 5712 O O . HOH F 5 . ? 86.353 24.497 24.797 1.00 3.06 ? ? ? ? ? ? 837 HOH A O 1 -HETATM 5713 O O . HOH F 5 . ? 83.312 25.051 21.182 1.00 5.33 ? ? ? ? ? ? 838 HOH A O 1 -HETATM 5714 O O . HOH F 5 . ? 93.413 37.027 41.122 1.00 30.46 ? ? ? ? ? ? 839 HOH A O 1 -HETATM 5715 O O . HOH F 5 . ? 82.906 29.098 51.494 1.00 23.32 ? ? ? ? ? ? 840 HOH A O 1 -HETATM 5716 O O . HOH F 5 . ? 84.229 53.557 33.137 1.00 27.47 ? ? ? ? ? ? 841 HOH A O 1 -HETATM 5717 O O . HOH F 5 . ? 98.424 38.024 53.239 1.00 23.51 ? ? ? ? ? ? 842 HOH A O 1 -HETATM 5718 O O . HOH F 5 . ? 95.864 38.614 54.007 1.00 13.64 ? ? ? ? ? ? 843 HOH A O 1 -HETATM 5719 O O . HOH F 5 . ? 102.563 40.068 48.952 1.00 18.31 ? ? ? ? ? ? 844 HOH A O 1 -HETATM 5720 O O . HOH F 5 . ? 100.493 59.810 41.470 1.00 25.58 ? ? ? ? ? ? 845 HOH A O 1 -HETATM 5721 O O . HOH F 5 . ? 102.373 32.398 34.442 1.00 14.12 ? ? ? ? ? ? 846 HOH A O 1 -HETATM 5722 O O . HOH F 5 . ? 108.842 20.842 34.381 1.00 33.23 ? ? ? ? ? ? 847 HOH A O 1 -HETATM 5723 O O . HOH F 5 . ? 110.752 19.771 26.373 1.00 16.13 ? ? ? ? ? ? 848 HOH A O 1 -HETATM 5724 O O . HOH F 5 . ? 82.603 36.078 18.419 1.00 52.97 ? ? ? ? ? ? 849 HOH A O 1 -HETATM 5725 O O . HOH F 5 . ? 76.248 29.368 20.638 1.00 17.52 ? ? ? ? ? ? 850 HOH A O 1 -HETATM 5726 O O . HOH F 5 . ? 87.890 44.598 7.256 1.00 35.03 ? ? ? ? ? ? 851 HOH A O 1 -HETATM 5727 O O . HOH F 5 . ? 88.009 11.374 24.095 1.00 24.34 ? ? ? ? ? ? 852 HOH A O 1 -HETATM 5728 O O . HOH F 5 . ? 84.724 26.415 44.249 1.00 10.17 ? ? ? ? ? ? 853 HOH A O 1 -HETATM 5729 O O . HOH F 5 . ? 93.615 11.982 16.039 1.00 10.89 ? ? ? ? ? ? 854 HOH A O 1 -HETATM 5730 O O . HOH F 5 . ? 105.002 16.305 27.044 1.00 35.98 ? ? ? ? ? ? 855 HOH A O 1 -HETATM 5731 O O . HOH F 5 . ? 102.070 26.920 41.837 1.00 23.46 ? ? ? ? ? ? 856 HOH A O 1 -HETATM 5732 O O . HOH F 5 . ? 76.515 12.953 40.386 1.00 43.93 ? ? ? ? ? ? 857 HOH A O 1 -HETATM 5733 O O . HOH F 5 . ? 98.601 26.980 45.477 1.00 20.58 ? ? ? ? ? ? 858 HOH A O 1 -HETATM 5734 O O . HOH F 5 . ? 73.624 29.438 22.395 1.00 2.00 ? ? ? ? ? ? 859 HOH A O 1 -HETATM 5735 O O . HOH F 5 . ? 55.504 54.390 11.739 1.00 47.62 ? ? ? ? ? ? 860 HOH A O 1 -HETATM 5736 O O . HOH F 5 . ? 83.386 35.012 28.255 1.00 13.46 ? ? ? ? ? ? 861 HOH A O 1 -HETATM 5737 O O . HOH F 5 . ? 86.697 36.010 29.572 1.00 8.53 ? ? ? ? ? ? 862 HOH A O 1 -HETATM 5738 O O . HOH F 5 . ? 97.405 36.021 33.634 1.00 17.70 ? ? ? ? ? ? 863 HOH A O 1 -HETATM 5739 O O . HOH F 5 . ? 92.794 33.636 32.756 1.00 27.01 ? ? ? ? ? ? 864 HOH A O 1 -HETATM 5740 O O . HOH F 5 . ? 86.782 38.941 14.152 1.00 30.04 ? ? ? ? ? ? 865 HOH A O 1 -HETATM 5741 O O . HOH F 5 . ? 77.273 45.666 5.691 1.00 12.44 ? ? ? ? ? ? 866 HOH A O 1 -HETATM 5742 O O . HOH F 5 . ? 76.141 43.649 8.825 1.00 17.25 ? ? ? ? ? ? 867 HOH A O 1 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 MET 1 1 1 MET MET A . n -A 1 2 LYS 2 2 2 LYS LYS A . n -A 1 3 LYS 3 3 3 LYS LYS A . n -A 1 4 VAL 4 4 4 VAL VAL A . n -A 1 5 VAL 5 5 5 VAL VAL A . n -A 1 6 THR 6 6 6 THR THR A . n -A 1 7 VAL 7 7 7 VAL VAL A . n -A 1 8 CYS 8 8 8 CYS CYS A . n -A 1 9 PRO 9 9 9 PRO PRO A . n -A 1 10 TYR 10 10 10 TYR TYR A . n -A 1 11 CYS 11 11 11 CYS CYS A . n -A 1 12 ALA 12 12 12 ALA ALA A . n -A 1 13 SER 13 13 13 SER SER A . n -A 1 14 GLY 14 14 14 GLY GLY A . n -A 1 15 CYS 15 15 15 CYS CYS A . n -A 1 16 LYS 16 16 16 LYS LYS A . n -A 1 17 ILE 17 17 17 ILE ILE A . n -A 1 18 ASN 18 18 18 ASN ASN A . n -A 1 19 LEU 19 19 19 LEU LEU A . n -A 1 20 VAL 20 20 20 VAL VAL A . n -A 1 21 VAL 21 21 21 VAL VAL A . n -A 1 22 ASP 22 22 22 ASP ASP A . n -A 1 23 ASN 23 23 23 ASN ASN A . n -A 1 24 GLY 24 24 24 GLY GLY A . n -A 1 25 LYS 25 25 25 LYS LYS A . n -A 1 26 ILE 26 26 26 ILE ILE A . n -A 1 27 VAL 27 27 27 VAL VAL A . n -A 1 28 ARG 28 28 28 ARG ARG A . n -A 1 29 ALA 29 29 29 ALA ALA A . n -A 1 30 GLU 30 30 30 GLU GLU A . n -A 1 31 ALA 31 31 31 ALA ALA A . n -A 1 32 ALA 32 32 32 ALA ALA A . n -A 1 33 GLN 33 33 33 GLN GLN A . n -A 1 34 GLY 34 34 34 GLY GLY A . n -A 1 35 LYS 35 35 35 LYS LYS A . n -A 1 36 THR 36 36 36 THR THR A . n -A 1 37 ASN 37 37 37 ASN ASN A . n -A 1 38 GLN 38 38 38 GLN GLN A . n -A 1 39 GLY 39 39 39 GLY GLY A . n -A 1 40 THR 40 40 40 THR THR A . n -A 1 41 LEU 41 41 41 LEU LEU A . n -A 1 42 CYS 42 42 42 CYS CYS A . n -A 1 43 LEU 43 43 43 LEU LEU A . n -A 1 44 LYS 44 44 44 LYS LYS A . n -A 1 45 GLY 45 45 45 GLY GLY A . n -A 1 46 TYR 46 46 46 TYR TYR A . n -A 1 47 TYR 47 47 47 TYR TYR A . n -A 1 48 GLY 48 48 48 GLY GLY A . n -A 1 49 TRP 49 49 49 TRP TRP A . n -A 1 50 ASP 50 50 50 ASP ASP A . n -A 1 51 PHE 51 51 51 PHE PHE A . n -A 1 52 ILE 52 52 52 ILE ILE A . n -A 1 53 ASN 53 53 53 ASN ASN A . n -A 1 54 ASP 54 54 54 ASP ASP A . n -A 1 55 THR 55 55 55 THR THR A . n -A 1 56 GLN 56 56 56 GLN GLN A . n -A 1 57 ILE 57 57 57 ILE ILE A . n -A 1 58 LEU 58 58 58 LEU LEU A . n -A 1 59 THR 59 59 59 THR THR A . n -A 1 60 PRO 60 60 60 PRO PRO A . n -A 1 61 ARG 61 61 61 ARG ARG A . n -A 1 62 LEU 62 62 62 LEU LEU A . n -A 1 63 LYS 63 63 63 LYS LYS A . n -A 1 64 THR 64 64 64 THR THR A . n -A 1 65 PRO 65 65 65 PRO PRO A . n -A 1 66 MET 66 66 66 MET MET A . n -A 1 67 ILE 67 67 67 ILE ILE A . n -A 1 68 ARG 68 68 68 ARG ARG A . n -A 1 69 ARG 69 69 69 ARG ARG A . n -A 1 70 GLN 70 70 70 GLN GLN A . n -A 1 71 ARG 71 71 71 ARG ARG A . n -A 1 72 GLY 72 72 72 GLY GLY A . n -A 1 73 GLY 73 73 73 GLY GLY A . n -A 1 74 LYS 74 74 74 LYS LYS A . n -A 1 75 LEU 75 75 75 LEU LEU A . n -A 1 76 GLU 76 76 76 GLU GLU A . n -A 1 77 PRO 77 77 77 PRO PRO A . n -A 1 78 VAL 78 78 78 VAL VAL A . n -A 1 79 SER 79 79 79 SER SER A . n -A 1 80 TRP 80 80 80 TRP TRP A . n -A 1 81 ASP 81 81 81 ASP ASP A . n -A 1 82 GLU 82 82 82 GLU GLU A . n -A 1 83 ALA 83 83 83 ALA ALA A . n -A 1 84 LEU 84 84 84 LEU LEU A . n -A 1 85 ASN 85 85 85 ASN ASN A . n -A 1 86 TYR 86 86 86 TYR TYR A . n -A 1 87 VAL 87 87 87 VAL VAL A . n -A 1 88 ALA 88 88 88 ALA ALA A . n -A 1 89 GLU 89 89 89 GLU GLU A . n -A 1 90 ARG 90 90 90 ARG ARG A . n -A 1 91 LEU 91 91 91 LEU LEU A . n -A 1 92 SER 92 92 92 SER SER A . n -A 1 93 ALA 93 93 93 ALA ALA A . n -A 1 94 ILE 94 94 94 ILE ILE A . n -A 1 95 LYS 95 95 95 LYS LYS A . n -A 1 96 GLU 96 96 96 GLU GLU A . n -A 1 97 LYS 97 97 97 LYS LYS A . n -A 1 98 TYR 98 98 98 TYR TYR A . n -A 1 99 GLY 99 99 99 GLY GLY A . n -A 1 100 PRO 100 100 100 PRO PRO A . n -A 1 101 ASP 101 101 101 ASP ASP A . n -A 1 102 ALA 102 102 102 ALA ALA A . n -A 1 103 ILE 103 103 103 ILE ILE A . n -A 1 104 GLN 104 104 104 GLN GLN A . n -A 1 105 THR 105 105 105 THR THR A . n -A 1 106 THR 106 106 106 THR THR A . n -A 1 107 GLY 107 107 107 GLY GLY A . n -A 1 108 SER 108 108 108 SER SER A . n -A 1 109 SER 109 109 109 SER SER A . n -A 1 110 ARG 110 110 110 ARG ARG A . n -A 1 111 GLY 111 111 111 GLY GLY A . n -A 1 112 THR 112 112 112 THR THR A . n -A 1 113 GLY 113 113 113 GLY GLY A . n -A 1 114 ASN 114 114 114 ASN ASN A . n -A 1 115 GLU 115 115 115 GLU GLU A . n -A 1 116 THR 116 116 116 THR THR A . n -A 1 117 ASN 117 117 117 ASN ASN A . n -A 1 118 TYR 118 118 118 TYR TYR A . n -A 1 119 VAL 119 119 119 VAL VAL A . n -A 1 120 MET 120 120 120 MET MET A . n -A 1 121 GLN 121 121 121 GLN GLN A . n -A 1 122 LYS 122 122 122 LYS LYS A . n -A 1 123 PHE 123 123 123 PHE PHE A . n -A 1 124 ALA 124 124 124 ALA ALA A . n -A 1 125 ARG 125 125 125 ARG ARG A . n -A 1 126 ALA 126 126 126 ALA ALA A . n -A 1 127 VAL 127 127 127 VAL VAL A . n -A 1 128 ILE 128 128 128 ILE ILE A . n -A 1 129 GLY 129 129 129 GLY GLY A . n -A 1 130 THR 130 130 130 THR THR A . n -A 1 131 ASN 131 131 131 ASN ASN A . n -A 1 132 ASN 132 132 132 ASN ASN A . n -A 1 133 VAL 133 133 133 VAL VAL A . n -A 1 134 ASP 134 134 134 ASP ASP A . n -A 1 135 CYS 135 135 135 CYS CYS A . n -A 1 136 CYS 136 136 136 CYS CYS A . n -A 1 137 ALA 137 137 137 ALA ALA A . n -A 1 138 ARG 138 138 138 ARG ARG A . n -A 1 139 VAL 139 139 139 VAL VAL A . n -A 1 140 CSE 140 140 140 CSE CSE A . n -A 1 141 HIS 141 141 141 HIS HIS A . n -A 1 142 GLY 142 142 142 GLY GLY A . n -A 1 143 PRO 143 143 143 PRO PRO A . n -A 1 144 SER 144 144 144 SER SER A . n -A 1 145 VAL 145 145 145 VAL VAL A . n -A 1 146 ALA 146 146 146 ALA ALA A . n -A 1 147 GLY 147 147 147 GLY GLY A . n -A 1 148 LEU 148 148 148 LEU LEU A . n -A 1 149 HIS 149 149 149 HIS HIS A . n -A 1 150 GLN 150 150 150 GLN GLN A . n -A 1 151 SER 151 151 151 SER SER A . n -A 1 152 VAL 152 152 152 VAL VAL A . n -A 1 153 GLY 153 153 153 GLY GLY A . n -A 1 154 ASN 154 154 154 ASN ASN A . n -A 1 155 GLY 155 155 155 GLY GLY A . n -A 1 156 ALA 156 156 156 ALA ALA A . n -A 1 157 MET 157 157 157 MET MET A . n -A 1 158 SER 158 158 158 SER SER A . n -A 1 159 ASN 159 159 159 ASN ASN A . n -A 1 160 ALA 160 160 160 ALA ALA A . n -A 1 161 ILE 161 161 161 ILE ILE A . n -A 1 162 ASN 162 162 162 ASN ASN A . n -A 1 163 GLU 163 163 163 GLU GLU A . n -A 1 164 ILE 164 164 164 ILE ILE A . n -A 1 165 ASP 165 165 165 ASP ASP A . n -A 1 166 ASN 166 166 166 ASN ASN A . n -A 1 167 THR 167 167 167 THR THR A . n -A 1 168 ASP 168 168 168 ASP ASP A . n -A 1 169 LEU 169 169 169 LEU LEU A . n -A 1 170 VAL 170 170 170 VAL VAL A . n -A 1 171 PHE 171 171 171 PHE PHE A . n -A 1 172 VAL 172 172 172 VAL VAL A . n -A 1 173 PHE 173 173 173 PHE PHE A . n -A 1 174 GLY 174 174 174 GLY GLY A . n -A 1 175 TYR 175 175 175 TYR TYR A . n -A 1 176 ASN 176 176 176 ASN ASN A . n -A 1 177 PRO 177 177 177 PRO PRO A . n -A 1 178 ALA 178 178 178 ALA ALA A . n -A 1 179 ASP 179 179 179 ASP ASP A . n -A 1 180 SER 180 180 180 SER SER A . n -A 1 181 HIS 181 181 181 HIS HIS A . n -A 1 182 PRO 182 182 182 PRO PRO A . n -A 1 183 ILE 183 183 183 ILE ILE A . n -A 1 184 VAL 184 184 184 VAL VAL A . n -A 1 185 ALA 185 185 185 ALA ALA A . n -A 1 186 ASN 186 186 186 ASN ASN A . n -A 1 187 HIS 187 187 187 HIS HIS A . n -A 1 188 VAL 188 188 188 VAL VAL A . n -A 1 189 ILE 189 189 189 ILE ILE A . n -A 1 190 ASN 190 190 190 ASN ASN A . n -A 1 191 ALA 191 191 191 ALA ALA A . n -A 1 192 LYS 192 192 192 LYS LYS A . n -A 1 193 ARG 193 193 193 ARG ARG A . n -A 1 194 ASN 194 194 194 ASN ASN A . n -A 1 195 GLY 195 195 195 GLY GLY A . n -A 1 196 ALA 196 196 196 ALA ALA A . n -A 1 197 LYS 197 197 197 LYS LYS A . n -A 1 198 ILE 198 198 198 ILE ILE A . n -A 1 199 ILE 199 199 199 ILE ILE A . n -A 1 200 VAL 200 200 200 VAL VAL A . n -A 1 201 CYS 201 201 201 CYS CYS A . n -A 1 202 ASP 202 202 202 ASP ASP A . n -A 1 203 PRO 203 203 203 PRO PRO A . n -A 1 204 ARG 204 204 204 ARG ARG A . n -A 1 205 LYS 205 205 205 LYS LYS A . n -A 1 206 ILE 206 206 206 ILE ILE A . n -A 1 207 GLU 207 207 207 GLU GLU A . n -A 1 208 THR 208 208 208 THR THR A . n -A 1 209 ALA 209 209 209 ALA ALA A . n -A 1 210 ARG 210 210 210 ARG ARG A . n -A 1 211 ILE 211 211 211 ILE ILE A . n -A 1 212 ALA 212 212 212 ALA ALA A . n -A 1 213 ASP 213 213 213 ASP ASP A . n -A 1 214 MET 214 214 214 MET MET A . n -A 1 215 HIS 215 215 215 HIS HIS A . n -A 1 216 ILE 216 216 216 ILE ILE A . n -A 1 217 ALA 217 217 217 ALA ALA A . n -A 1 218 LEU 218 218 218 LEU LEU A . n -A 1 219 LYS 219 219 219 LYS LYS A . n -A 1 220 ASN 220 220 220 ASN ASN A . n -A 1 221 GLY 221 221 221 GLY GLY A . n -A 1 222 SER 222 222 222 SER SER A . n -A 1 223 ASN 223 223 223 ASN ASN A . n -A 1 224 ILE 224 224 224 ILE ILE A . n -A 1 225 ALA 225 225 225 ALA ALA A . n -A 1 226 LEU 226 226 226 LEU LEU A . n -A 1 227 LEU 227 227 227 LEU LEU A . n -A 1 228 ASN 228 228 228 ASN ASN A . n -A 1 229 ALA 229 229 229 ALA ALA A . n -A 1 230 MET 230 230 230 MET MET A . n -A 1 231 GLY 231 231 231 GLY GLY A . n -A 1 232 HIS 232 232 232 HIS HIS A . n -A 1 233 VAL 233 233 233 VAL VAL A . n -A 1 234 ILE 234 234 234 ILE ILE A . n -A 1 235 ILE 235 235 235 ILE ILE A . n -A 1 236 GLU 236 236 236 GLU GLU A . n -A 1 237 GLU 237 237 237 GLU GLU A . n -A 1 238 ASN 238 238 238 ASN ASN A . n -A 1 239 LEU 239 239 239 LEU LEU A . n -A 1 240 TYR 240 240 240 TYR TYR A . n -A 1 241 ASP 241 241 241 ASP ASP A . n -A 1 242 LYS 242 242 242 LYS LYS A . n -A 1 243 ALA 243 243 243 ALA ALA A . n -A 1 244 PHE 244 244 244 PHE PHE A . n -A 1 245 VAL 245 245 245 VAL VAL A . n -A 1 246 ALA 246 246 246 ALA ALA A . n -A 1 247 SER 247 247 247 SER SER A . n -A 1 248 ARG 248 248 248 ARG ARG A . n -A 1 249 THR 249 249 249 THR THR A . n -A 1 250 GLU 250 250 250 GLU GLU A . n -A 1 251 GLY 251 251 251 GLY GLY A . n -A 1 252 PHE 252 252 252 PHE PHE A . n -A 1 253 GLU 253 253 253 GLU GLU A . n -A 1 254 GLU 254 254 254 GLU GLU A . n -A 1 255 TYR 255 255 255 TYR TYR A . n -A 1 256 ARG 256 256 256 ARG ARG A . n -A 1 257 LYS 257 257 257 LYS LYS A . n -A 1 258 ILE 258 258 258 ILE ILE A . n -A 1 259 VAL 259 259 259 VAL VAL A . n -A 1 260 GLU 260 260 260 GLU GLU A . n -A 1 261 GLY 261 261 261 GLY GLY A . n -A 1 262 TYR 262 262 262 TYR TYR A . n -A 1 263 THR 263 263 263 THR THR A . n -A 1 264 PRO 264 264 264 PRO PRO A . n -A 1 265 GLU 265 265 265 GLU GLU A . n -A 1 266 SER 266 266 266 SER SER A . n -A 1 267 VAL 267 267 267 VAL VAL A . n -A 1 268 GLU 268 268 268 GLU GLU A . n -A 1 269 ASP 269 269 269 ASP ASP A . n -A 1 270 ILE 270 270 270 ILE ILE A . n -A 1 271 THR 271 271 271 THR THR A . n -A 1 272 GLY 272 272 272 GLY GLY A . n -A 1 273 VAL 273 273 273 VAL VAL A . n -A 1 274 SER 274 274 274 SER SER A . n -A 1 275 ALA 275 275 275 ALA ALA A . n -A 1 276 SER 276 276 276 SER SER A . n -A 1 277 GLU 277 277 277 GLU GLU A . n -A 1 278 ILE 278 278 278 ILE ILE A . n -A 1 279 ARG 279 279 279 ARG ARG A . n -A 1 280 GLN 280 280 280 GLN GLN A . n -A 1 281 ALA 281 281 281 ALA ALA A . n -A 1 282 ALA 282 282 282 ALA ALA A . n -A 1 283 ARG 283 283 283 ARG ARG A . n -A 1 284 MET 284 284 284 MET MET A . n -A 1 285 TYR 285 285 285 TYR TYR A . n -A 1 286 ALA 286 286 286 ALA ALA A . n -A 1 287 GLN 287 287 287 GLN GLN A . n -A 1 288 ALA 288 288 288 ALA ALA A . n -A 1 289 LYS 289 289 289 LYS LYS A . n -A 1 290 SER 290 290 290 SER SER A . n -A 1 291 ALA 291 291 291 ALA ALA A . n -A 1 292 ALA 292 292 292 ALA ALA A . n -A 1 293 ILE 293 293 293 ILE ILE A . n -A 1 294 LEU 294 294 294 LEU LEU A . n -A 1 295 TRP 295 295 295 TRP TRP A . n -A 1 296 GLY 296 296 296 GLY GLY A . n -A 1 297 MET 297 297 297 MET MET A . n -A 1 298 GLY 298 298 298 GLY GLY A . n -A 1 299 VAL 299 299 299 VAL VAL A . n -A 1 300 THR 300 300 300 THR THR A . n -A 1 301 GLN 301 301 301 GLN GLN A . n -A 1 302 PHE 302 302 302 PHE PHE A . n -A 1 303 TYR 303 303 303 TYR TYR A . n -A 1 304 GLN 304 304 304 GLN GLN A . n -A 1 305 GLY 305 305 305 GLY GLY A . n -A 1 306 VAL 306 306 306 VAL VAL A . n -A 1 307 GLU 307 307 307 GLU GLU A . n -A 1 308 THR 308 308 308 THR THR A . n -A 1 309 VAL 309 309 309 VAL VAL A . n -A 1 310 ARG 310 310 310 ARG ARG A . n -A 1 311 SER 311 311 311 SER SER A . n -A 1 312 LEU 312 312 312 LEU LEU A . n -A 1 313 THR 313 313 313 THR THR A . n -A 1 314 SER 314 314 314 SER SER A . n -A 1 315 LEU 315 315 315 LEU LEU A . n -A 1 316 ALA 316 316 316 ALA ALA A . n -A 1 317 MET 317 317 317 MET MET A . n -A 1 318 LEU 318 318 318 LEU LEU A . n -A 1 319 THR 319 319 319 THR THR A . n -A 1 320 GLY 320 320 320 GLY GLY A . n -A 1 321 ASN 321 321 321 ASN ASN A . n -A 1 322 LEU 322 322 322 LEU LEU A . n -A 1 323 GLY 323 323 323 GLY GLY A . n -A 1 324 LYS 324 324 324 LYS LYS A . n -A 1 325 PRO 325 325 325 PRO PRO A . n -A 1 326 HIS 326 326 326 HIS HIS A . n -A 1 327 ALA 327 327 327 ALA ALA A . n -A 1 328 GLY 328 328 328 GLY GLY A . n -A 1 329 VAL 329 329 329 VAL VAL A . n -A 1 330 ASN 330 330 330 ASN ASN A . n -A 1 331 PRO 331 331 331 PRO PRO A . n -A 1 332 VAL 332 332 332 VAL VAL A . n -A 1 333 ARG 333 333 333 ARG ARG A . n -A 1 334 GLY 334 334 334 GLY GLY A . n -A 1 335 GLN 335 335 335 GLN GLN A . n -A 1 336 ASN 336 336 336 ASN ASN A . n -A 1 337 ASN 337 337 337 ASN ASN A . n -A 1 338 VAL 338 338 338 VAL VAL A . n -A 1 339 GLN 339 339 339 GLN GLN A . n -A 1 340 GLY 340 340 340 GLY GLY A . n -A 1 341 ALA 341 341 341 ALA ALA A . n -A 1 342 CYS 342 342 342 CYS CYS A . n -A 1 343 ASP 343 343 343 ASP ASP A . n -A 1 344 MET 344 344 344 MET MET A . n -A 1 345 GLY 345 345 345 GLY GLY A . n -A 1 346 ALA 346 346 346 ALA ALA A . n -A 1 347 LEU 347 347 347 LEU LEU A . n -A 1 348 PRO 348 348 348 PRO PRO A . n -A 1 349 ASP 349 349 349 ASP ASP A . n -A 1 350 THR 350 350 350 THR THR A . n -A 1 351 TYR 351 351 351 TYR TYR A . n -A 1 352 PRO 352 352 352 PRO PRO A . n -A 1 353 GLY 353 353 353 GLY GLY A . n -A 1 354 TYR 354 354 354 TYR TYR A . n -A 1 355 GLN 355 355 355 GLN GLN A . n -A 1 356 TYR 356 356 356 TYR TYR A . n -A 1 357 VAL 357 357 357 VAL VAL A . n -A 1 358 LYS 358 358 358 LYS LYS A . n -A 1 359 ASP 359 359 359 ASP ASP A . n -A 1 360 PRO 360 360 360 PRO PRO A . n -A 1 361 ALA 361 361 361 ALA ALA A . n -A 1 362 ASN 362 362 362 ASN ASN A . n -A 1 363 ARG 363 363 363 ARG ARG A . n -A 1 364 GLU 364 364 364 GLU GLU A . n -A 1 365 LYS 365 365 365 LYS LYS A . n -A 1 366 PHE 366 366 366 PHE PHE A . n -A 1 367 ALA 367 367 367 ALA ALA A . n -A 1 368 LYS 368 368 368 LYS LYS A . n -A 1 369 ALA 369 369 369 ALA ALA A . n -A 1 370 TRP 370 370 370 TRP TRP A . n -A 1 371 GLY 371 371 371 GLY GLY A . n -A 1 372 VAL 372 372 372 VAL VAL A . n -A 1 373 GLU 373 373 373 GLU GLU A . n -A 1 374 SER 374 374 374 SER SER A . n -A 1 375 LEU 375 375 375 LEU LEU A . n -A 1 376 PRO 376 376 376 PRO PRO A . n -A 1 377 ALA 377 377 377 ALA ALA A . n -A 1 378 HIS 378 378 378 HIS HIS A . n -A 1 379 THR 379 379 379 THR THR A . n -A 1 380 GLY 380 380 380 GLY GLY A . n -A 1 381 TYR 381 381 381 TYR TYR A . n -A 1 382 ARG 382 382 382 ARG ARG A . n -A 1 383 ILE 383 383 383 ILE ILE A . n -A 1 384 SER 384 384 384 SER SER A . n -A 1 385 GLU 385 385 385 GLU GLU A . n -A 1 386 LEU 386 386 386 LEU LEU A . n -A 1 387 PRO 387 387 387 PRO PRO A . n -A 1 388 HIS 388 388 388 HIS HIS A . n -A 1 389 ARG 389 389 389 ARG ARG A . n -A 1 390 ALA 390 390 390 ALA ALA A . n -A 1 391 ALA 391 391 391 ALA ALA A . n -A 1 392 HIS 392 392 392 HIS HIS A . n -A 1 393 GLY 393 393 393 GLY GLY A . n -A 1 394 GLU 394 394 394 GLU GLU A . n -A 1 395 VAL 395 395 395 VAL VAL A . n -A 1 396 ARG 396 396 396 ARG ARG A . n -A 1 397 ALA 397 397 397 ALA ALA A . n -A 1 398 ALA 398 398 398 ALA ALA A . n -A 1 399 TYR 399 399 399 TYR TYR A . n -A 1 400 ILE 400 400 400 ILE ILE A . n -A 1 401 MET 401 401 401 MET MET A . n -A 1 402 GLY 402 402 402 GLY GLY A . n -A 1 403 GLU 403 403 403 GLU GLU A . n -A 1 404 ASP 404 404 404 ASP ASP A . n -A 1 405 PRO 405 405 405 PRO PRO A . n -A 1 406 LEU 406 406 406 LEU LEU A . n -A 1 407 GLN 407 407 407 GLN GLN A . n -A 1 408 THR 408 408 408 THR THR A . n -A 1 409 ASP 409 409 409 ASP ASP A . n -A 1 410 ALA 410 410 410 ALA ALA A . n -A 1 411 GLU 411 411 411 GLU GLU A . n -A 1 412 LEU 412 412 412 LEU LEU A . n -A 1 413 SER 413 413 413 SER SER A . n -A 1 414 ALA 414 414 414 ALA ALA A . n -A 1 415 VAL 415 415 415 VAL VAL A . n -A 1 416 ARG 416 416 416 ARG ARG A . n -A 1 417 LYS 417 417 417 LYS LYS A . n -A 1 418 ALA 418 418 418 ALA ALA A . n -A 1 419 PHE 419 419 419 PHE PHE A . n -A 1 420 GLU 420 420 420 GLU GLU A . n -A 1 421 ASP 421 421 421 ASP ASP A . n -A 1 422 LEU 422 422 422 LEU LEU A . n -A 1 423 GLU 423 423 423 GLU GLU A . n -A 1 424 LEU 424 424 424 LEU LEU A . n -A 1 425 VAL 425 425 425 VAL VAL A . n -A 1 426 ILE 426 426 426 ILE ILE A . n -A 1 427 VAL 427 427 427 VAL VAL A . n -A 1 428 GLN 428 428 428 GLN GLN A . n -A 1 429 ASP 429 429 429 ASP ASP A . n -A 1 430 ILE 430 430 430 ILE ILE A . n -A 1 431 PHE 431 431 431 PHE PHE A . n -A 1 432 MET 432 432 432 MET MET A . n -A 1 433 THR 433 433 433 THR THR A . n -A 1 434 LYS 434 434 434 LYS LYS A . n -A 1 435 THR 435 435 435 THR THR A . n -A 1 436 ALA 436 436 436 ALA ALA A . n -A 1 437 SER 437 437 437 SER SER A . n -A 1 438 ALA 438 438 438 ALA ALA A . n -A 1 439 ALA 439 439 439 ALA ALA A . n -A 1 440 ASP 440 440 440 ASP ASP A . n -A 1 441 VAL 441 441 441 VAL VAL A . n -A 1 442 ILE 442 442 442 ILE ILE A . n -A 1 443 LEU 443 443 443 LEU LEU A . n -A 1 444 PRO 444 444 444 PRO PRO A . n -A 1 445 SER 445 445 445 SER SER A . n -A 1 446 THR 446 446 446 THR THR A . n -A 1 447 SER 447 447 447 SER SER A . n -A 1 448 TRP 448 448 448 TRP TRP A . n -A 1 449 GLY 449 449 449 GLY GLY A . n -A 1 450 GLU 450 450 450 GLU GLU A . n -A 1 451 HIS 451 451 451 HIS HIS A . n -A 1 452 GLU 452 452 452 GLU GLU A . n -A 1 453 GLY 453 453 453 GLY GLY A . n -A 1 454 VAL 454 454 454 VAL VAL A . n -A 1 455 PHE 455 455 455 PHE PHE A . n -A 1 456 THR 456 456 456 THR THR A . n -A 1 457 ALA 457 457 457 ALA ALA A . n -A 1 458 ALA 458 458 458 ALA ALA A . n -A 1 459 ASP 459 459 459 ASP ASP A . n -A 1 460 ARG 460 460 460 ARG ARG A . n -A 1 461 GLY 461 461 461 GLY GLY A . n -A 1 462 PHE 462 462 462 PHE PHE A . n -A 1 463 GLN 463 463 463 GLN GLN A . n -A 1 464 ARG 464 464 464 ARG ARG A . n -A 1 465 PHE 465 465 465 PHE PHE A . n -A 1 466 PHE 466 466 466 PHE PHE A . n -A 1 467 LYS 467 467 467 LYS LYS A . n -A 1 468 ALA 468 468 468 ALA ALA A . n -A 1 469 VAL 469 469 469 VAL VAL A . n -A 1 470 GLU 470 470 470 GLU GLU A . n -A 1 471 PRO 471 471 471 PRO PRO A . n -A 1 472 LYS 472 472 472 LYS LYS A . n -A 1 473 TRP 473 473 473 TRP TRP A . n -A 1 474 ASP 474 474 474 ASP ASP A . n -A 1 475 LEU 475 475 475 LEU LEU A . n -A 1 476 LYS 476 476 476 LYS LYS A . n -A 1 477 THR 477 477 477 THR THR A . n -A 1 478 ASP 478 478 478 ASP ASP A . n -A 1 479 TRP 479 479 479 TRP TRP A . n -A 1 480 GLN 480 480 480 GLN GLN A . n -A 1 481 ILE 481 481 481 ILE ILE A . n -A 1 482 ILE 482 482 482 ILE ILE A . n -A 1 483 SER 483 483 483 SER SER A . n -A 1 484 GLU 484 484 484 GLU GLU A . n -A 1 485 ILE 485 485 485 ILE ILE A . n -A 1 486 ALA 486 486 486 ALA ALA A . n -A 1 487 THR 487 487 487 THR THR A . n -A 1 488 ARG 488 488 488 ARG ARG A . n -A 1 489 MET 489 489 489 MET MET A . n -A 1 490 GLY 490 490 490 GLY GLY A . n -A 1 491 TYR 491 491 491 TYR TYR A . n -A 1 492 PRO 492 492 492 PRO PRO A . n -A 1 493 MET 493 493 493 MET MET A . n -A 1 494 HIS 494 494 494 HIS HIS A . n -A 1 495 TYR 495 495 495 TYR TYR A . n -A 1 496 ASN 496 496 496 ASN ASN A . n -A 1 497 ASN 497 497 497 ASN ASN A . n -A 1 498 THR 498 498 498 THR THR A . n -A 1 499 GLN 499 499 499 GLN GLN A . n -A 1 500 GLU 500 500 500 GLU GLU A . n -A 1 501 ILE 501 501 501 ILE ILE A . n -A 1 502 TRP 502 502 502 TRP TRP A . n -A 1 503 ASP 503 503 503 ASP ASP A . n -A 1 504 GLU 504 504 504 GLU GLU A . n -A 1 505 LEU 505 505 505 LEU LEU A . n -A 1 506 ARG 506 506 506 ARG ARG A . n -A 1 507 HIS 507 507 507 HIS HIS A . n -A 1 508 LEU 508 508 508 LEU LEU A . n -A 1 509 CYS 509 509 509 CYS CYS A . n -A 1 510 PRO 510 510 510 PRO PRO A . n -A 1 511 ASP 511 511 511 ASP ASP A . n -A 1 512 PHE 512 512 512 PHE PHE A . n -A 1 513 TYR 513 513 513 TYR TYR A . n -A 1 514 GLY 514 514 514 GLY GLY A . n -A 1 515 ALA 515 515 515 ALA ALA A . n -A 1 516 THR 516 516 516 THR THR A . n -A 1 517 TYR 517 517 517 TYR TYR A . n -A 1 518 GLU 518 518 518 GLU GLU A . n -A 1 519 LYS 519 519 519 LYS LYS A . n -A 1 520 MET 520 520 520 MET MET A . n -A 1 521 GLY 521 521 521 GLY GLY A . n -A 1 522 GLU 522 522 522 GLU GLU A . n -A 1 523 LEU 523 523 523 LEU LEU A . n -A 1 524 GLY 524 524 524 GLY GLY A . n -A 1 525 PHE 525 525 525 PHE PHE A . n -A 1 526 ILE 526 526 526 ILE ILE A . n -A 1 527 GLN 527 527 527 GLN GLN A . n -A 1 528 TRP 528 528 528 TRP TRP A . n -A 1 529 PRO 529 529 529 PRO PRO A . n -A 1 530 CYS 530 530 530 CYS CYS A . n -A 1 531 ARG 531 531 531 ARG ARG A . n -A 1 532 ASP 532 532 532 ASP ASP A . n -A 1 533 THR 533 533 533 THR THR A . n -A 1 534 SER 534 534 534 SER SER A . n -A 1 535 ASP 535 535 535 ASP ASP A . n -A 1 536 ALA 536 536 536 ALA ALA A . n -A 1 537 ASP 537 537 537 ASP ASP A . n -A 1 538 GLN 538 538 538 GLN GLN A . n -A 1 539 GLY 539 539 539 GLY GLY A . n -A 1 540 THR 540 540 540 THR THR A . n -A 1 541 SER 541 541 541 SER SER A . n -A 1 542 TYR 542 542 542 TYR TYR A . n -A 1 543 LEU 543 543 543 LEU LEU A . n -A 1 544 PHE 544 544 544 PHE PHE A . n -A 1 545 LYS 545 545 545 LYS LYS A . n -A 1 546 GLU 546 546 546 GLU GLU A . n -A 1 547 LYS 547 547 547 LYS LYS A . n -A 1 548 PHE 548 548 548 PHE PHE A . n -A 1 549 ASP 549 549 549 ASP ASP A . n -A 1 550 THR 550 550 550 THR THR A . n -A 1 551 PRO 551 551 551 PRO PRO A . n -A 1 552 ASN 552 552 552 ASN ASN A . n -A 1 553 GLY 553 553 553 GLY GLY A . n -A 1 554 LEU 554 554 554 LEU LEU A . n -A 1 555 ALA 555 555 555 ALA ALA A . n -A 1 556 GLN 556 556 556 GLN GLN A . n -A 1 557 PHE 557 557 557 PHE PHE A . n -A 1 558 PHE 558 558 558 PHE PHE A . n -A 1 559 THR 559 559 559 THR THR A . n -A 1 560 CYS 560 560 560 CYS CYS A . n -A 1 561 ASP 561 561 561 ASP ASP A . n -A 1 562 TRP 562 562 562 TRP TRP A . n -A 1 563 VAL 563 563 563 VAL VAL A . n -A 1 564 ALA 564 564 564 ALA ALA A . n -A 1 565 PRO 565 565 565 PRO PRO A . n -A 1 566 ILE 566 566 566 ILE ILE A . n -A 1 567 ASP 567 567 567 ASP ASP A . n -A 1 568 LYS 568 568 568 LYS LYS A . n -A 1 569 LEU 569 569 569 LEU LEU A . n -A 1 570 THR 570 570 570 THR THR A . n -A 1 571 ASP 571 571 571 ASP ASP A . n -A 1 572 GLU 572 572 572 GLU GLU A . n -A 1 573 TYR 573 573 573 TYR TYR A . n -A 1 574 PRO 574 574 574 PRO PRO A . n -A 1 575 MET 575 575 575 MET MET A . n -A 1 576 VAL 576 576 576 VAL VAL A . n -A 1 577 LEU 577 577 577 LEU LEU A . n -A 1 578 SER 578 578 578 SER SER A . n -A 1 579 THR 579 579 579 THR THR A . n -A 1 580 VAL 580 580 580 VAL VAL A . n -A 1 581 ARG 581 581 581 ARG ARG A . n -A 1 582 GLU 582 582 582 GLU GLU A . n -A 1 583 VAL 583 583 583 VAL VAL A . n -A 1 584 GLY 584 584 584 GLY GLY A . n -A 1 585 HIS 585 585 585 HIS HIS A . n -A 1 586 TYR 586 586 586 TYR TYR A . n -A 1 587 SER 587 587 587 SER SER A . n -A 1 588 CYS 588 588 588 CYS CYS A . n -A 1 589 ARG 589 589 589 ARG ARG A . n -A 1 590 SER 590 590 590 SER SER A . n -A 1 591 MET 591 591 591 MET MET A . n -A 1 592 THR 592 592 592 THR THR A . n -A 1 593 GLY 593 593 593 GLY GLY A . n -A 1 594 ASN 594 594 594 ASN ASN A . n -A 1 595 CYS 595 595 595 CYS CYS A . n -A 1 596 ALA 596 596 596 ALA ALA A . n -A 1 597 ALA 597 597 597 ALA ALA A . n -A 1 598 LEU 598 598 598 LEU LEU A . n -A 1 599 ALA 599 599 599 ALA ALA A . n -A 1 600 ALA 600 600 600 ALA ALA A . n -A 1 601 LEU 601 601 601 LEU LEU A . n -A 1 602 ALA 602 602 602 ALA ALA A . n -A 1 603 ASP 603 603 603 ASP ASP A . n -A 1 604 GLU 604 604 604 GLU GLU A . n -A 1 605 PRO 605 605 605 PRO PRO A . n -A 1 606 GLY 606 606 606 GLY GLY A . n -A 1 607 TYR 607 607 607 TYR TYR A . n -A 1 608 ALA 608 608 608 ALA ALA A . n -A 1 609 GLN 609 609 609 GLN GLN A . n -A 1 610 ILE 610 610 610 ILE ILE A . n -A 1 611 ASN 611 611 611 ASN ASN A . n -A 1 612 THR 612 612 612 THR THR A . n -A 1 613 GLU 613 613 613 GLU GLU A . n -A 1 614 ASP 614 614 614 ASP ASP A . n -A 1 615 ALA 615 615 615 ALA ALA A . n -A 1 616 LYS 616 616 616 LYS LYS A . n -A 1 617 ARG 617 617 617 ARG ARG A . n -A 1 618 LEU 618 618 618 LEU LEU A . n -A 1 619 GLY 619 619 619 GLY GLY A . n -A 1 620 ILE 620 620 620 ILE ILE A . n -A 1 621 GLU 621 621 621 GLU GLU A . n -A 1 622 ASP 622 622 622 ASP ASP A . n -A 1 623 GLU 623 623 623 GLU GLU A . n -A 1 624 ALA 624 624 624 ALA ALA A . n -A 1 625 LEU 625 625 625 LEU LEU A . n -A 1 626 VAL 626 626 626 VAL VAL A . n -A 1 627 TRP 627 627 627 TRP TRP A . n -A 1 628 VAL 628 628 628 VAL VAL A . n -A 1 629 HIS 629 629 629 HIS HIS A . n -A 1 630 SER 630 630 630 SER SER A . n -A 1 631 ARG 631 631 631 ARG ARG A . n -A 1 632 LYS 632 632 632 LYS LYS A . n -A 1 633 GLY 633 633 633 GLY GLY A . n -A 1 634 LYS 634 634 634 LYS LYS A . n -A 1 635 ILE 635 635 635 ILE ILE A . n -A 1 636 ILE 636 636 636 ILE ILE A . n -A 1 637 THR 637 637 637 THR THR A . n -A 1 638 ARG 638 638 638 ARG ARG A . n -A 1 639 ALA 639 639 639 ALA ALA A . n -A 1 640 GLN 640 640 640 GLN GLN A . n -A 1 641 VAL 641 641 641 VAL VAL A . n -A 1 642 SER 642 642 642 SER SER A . n -A 1 643 ASP 643 643 643 ASP ASP A . n -A 1 644 ARG 644 644 644 ARG ARG A . n -A 1 645 PRO 645 645 645 PRO PRO A . n -A 1 646 ASN 646 646 646 ASN ASN A . n -A 1 647 LYS 647 647 647 LYS LYS A . n -A 1 648 GLY 648 648 648 GLY GLY A . n -A 1 649 ALA 649 649 649 ALA ALA A . n -A 1 650 ILE 650 650 650 ILE ILE A . n -A 1 651 TYR 651 651 651 TYR TYR A . n -A 1 652 MET 652 652 652 MET MET A . n -A 1 653 THR 653 653 653 THR THR A . n -A 1 654 TYR 654 654 654 TYR TYR A . n -A 1 655 GLN 655 655 655 GLN GLN A . n -A 1 656 TRP 656 656 656 TRP TRP A . n -A 1 657 TRP 657 657 657 TRP TRP A . n -A 1 658 ILE 658 658 658 ILE ILE A . n -A 1 659 GLY 659 659 659 GLY GLY A . n -A 1 660 ALA 660 660 660 ALA ALA A . n -A 1 661 CYS 661 661 661 CYS CYS A . n -A 1 662 ASN 662 662 662 ASN ASN A . n -A 1 663 GLU 663 663 663 GLU GLU A . n -A 1 664 LEU 664 664 664 LEU LEU A . n -A 1 665 VAL 665 665 665 VAL VAL A . n -A 1 666 THR 666 666 666 THR THR A . n -A 1 667 GLU 667 667 667 GLU GLU A . n -A 1 668 ASN 668 668 668 ASN ASN A . n -A 1 669 LEU 669 669 669 LEU LEU A . n -A 1 670 SER 670 670 670 SER SER A . n -A 1 671 PRO 671 671 671 PRO PRO A . n -A 1 672 ILE 672 672 672 ILE ILE A . n -A 1 673 THR 673 673 673 THR THR A . n -A 1 674 LYS 674 674 674 LYS LYS A . n -A 1 675 THR 675 675 675 THR THR A . n -A 1 676 PRO 676 676 676 PRO PRO A . n -A 1 677 GLU 677 677 677 GLU GLU A . n -A 1 678 TYR 678 678 678 TYR TYR A . n -A 1 679 LYS 679 679 679 LYS LYS A . n -A 1 680 TYR 680 680 680 TYR TYR A . n -A 1 681 CYS 681 681 681 CYS CYS A . n -A 1 682 ALA 682 682 682 ALA ALA A . n -A 1 683 VAL 683 683 683 VAL VAL A . n -A 1 684 ARG 684 684 684 ARG ARG A . n -A 1 685 VAL 685 685 685 VAL VAL A . n -A 1 686 GLU 686 686 686 GLU GLU A . n -A 1 687 PRO 687 687 687 PRO PRO A . n -A 1 688 ILE 688 688 688 ILE ILE A . n -A 1 689 ALA 689 689 689 ALA ALA A . n -A 1 690 ASP 690 690 690 ASP ASP A . n -A 1 691 GLN 691 691 691 GLN GLN A . n -A 1 692 ARG 692 692 692 ARG ARG A . n -A 1 693 ALA 693 693 693 ALA ALA A . n -A 1 694 ALA 694 694 694 ALA ALA A . n -A 1 695 GLU 695 695 695 GLU GLU A . n -A 1 696 GLN 696 696 696 GLN GLN A . n -A 1 697 TYR 697 697 697 TYR TYR A . n -A 1 698 VAL 698 698 698 VAL VAL A . n -A 1 699 ILE 699 699 699 ILE ILE A . n -A 1 700 ASP 700 700 700 ASP ASP A . n -A 1 701 GLU 701 701 701 GLU GLU A . n -A 1 702 TYR 702 702 702 TYR TYR A . n -A 1 703 ASN 703 703 703 ASN ASN A . n -A 1 704 LYS 704 704 704 LYS LYS A . n -A 1 705 LEU 705 705 705 LEU LEU A . n -A 1 706 LYS 706 706 706 LYS LYS A . n -A 1 707 THR 707 707 707 THR THR A . n -A 1 708 ARG 708 708 708 ARG ARG A . n -A 1 709 LEU 709 709 709 LEU LEU A . n -A 1 710 ARG 710 710 710 ARG ARG A . n -A 1 711 GLU 711 711 711 GLU GLU A . n -A 1 712 ALA 712 712 712 ALA ALA A . n -A 1 713 ALA 713 713 713 ALA ALA A . n -A 1 714 LEU 714 714 714 LEU LEU A . n -A 1 715 ALA 715 715 715 ALA ALA A . n -# -loop_ -_software.name -_software.classification -_software.version -_software.citation_id -_software.pdbx_ordinal -X-PLOR 'model building' 3.1 ? 1 -X-PLOR refinement 3.1 ? 2 -# -loop_ -_pdbx_version.entry_id -_pdbx_version.revision_date -_pdbx_version.major_version -_pdbx_version.minor_version -_pdbx_version.details -1FDO 2007-03-17 3 100 ? -1FDO 2008-03-24 3 2 'compliance with PDB format V.3.15' -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details monomeric -_pdbx_struct_assembly.oligomeric_count 1 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 -_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 -_pdbx_struct_oper_list.vector[1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 -_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 -_pdbx_struct_oper_list.vector[2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 -_pdbx_struct_oper_list.vector[3] 0.0000000000 -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -B 2 SF4 1 800 800 SF4 FS4 A . -C 3 MGD 1 801 801 MGD MGD A . -D 3 MGD 1 802 802 MGD MGD A . -E 4 6MO 1 803 803 6MO 6MO A . -F 5 HOH 1 804 1 HOH HOH A . -F 5 HOH 2 805 2 HOH HOH A . -F 5 HOH 3 806 3 HOH HOH A . -F 5 HOH 4 807 4 HOH HOH A . -F 5 HOH 5 808 5 HOH HOH A . -F 5 HOH 6 809 6 HOH HOH A . -F 5 HOH 7 810 7 HOH HOH A . -F 5 HOH 8 811 8 HOH HOH A . -F 5 HOH 9 812 9 HOH HOH A . -F 5 HOH 10 813 11 HOH HOH A . -F 5 HOH 11 814 12 HOH HOH A . -F 5 HOH 12 815 13 HOH HOH A . -F 5 HOH 13 816 14 HOH HOH A . -F 5 HOH 14 817 15 HOH HOH A . -F 5 HOH 15 818 16 HOH HOH A . -F 5 HOH 16 819 17 HOH HOH A . -F 5 HOH 17 820 18 HOH HOH A . -F 5 HOH 18 821 19 HOH HOH A . -F 5 HOH 19 822 20 HOH HOH A . -F 5 HOH 20 823 21 HOH HOH A . -F 5 HOH 21 824 22 HOH HOH A . -F 5 HOH 22 825 23 HOH HOH A . -F 5 HOH 23 826 25 HOH HOH A . -F 5 HOH 24 827 26 HOH HOH A . -F 5 HOH 25 828 27 HOH HOH A . -F 5 HOH 26 829 28 HOH HOH A . -F 5 HOH 27 830 29 HOH HOH A . -F 5 HOH 28 831 30 HOH HOH A . -F 5 HOH 29 832 31 HOH HOH A . -F 5 HOH 30 833 32 HOH HOH A . -F 5 HOH 31 834 33 HOH HOH A . -F 5 HOH 32 835 34 HOH HOH A . -F 5 HOH 33 836 35 HOH HOH A . -F 5 HOH 34 837 36 HOH HOH A . -F 5 HOH 35 838 37 HOH HOH A . -F 5 HOH 36 839 38 HOH HOH A . -F 5 HOH 37 840 39 HOH HOH A . -F 5 HOH 38 841 40 HOH HOH A . -F 5 HOH 39 842 41 HOH HOH A . -F 5 HOH 40 843 42 HOH HOH A . -F 5 HOH 41 844 43 HOH HOH A . -F 5 HOH 42 845 44 HOH HOH A . -F 5 HOH 43 846 47 HOH HOH A . -F 5 HOH 44 847 48 HOH HOH A . -F 5 HOH 45 848 49 HOH HOH A . -F 5 HOH 46 849 50 HOH HOH A . -F 5 HOH 47 850 51 HOH HOH A . -F 5 HOH 48 851 52 HOH HOH A . -F 5 HOH 49 852 53 HOH HOH A . -F 5 HOH 50 853 54 HOH HOH A . -F 5 HOH 51 854 55 HOH HOH A . -F 5 HOH 52 855 56 HOH HOH A . -F 5 HOH 53 856 57 HOH HOH A . -F 5 HOH 54 857 58 HOH HOH A . -F 5 HOH 55 858 59 HOH HOH A . -F 5 HOH 56 859 61 HOH HOH A . -F 5 HOH 57 860 62 HOH HOH A . -F 5 HOH 58 861 63 HOH HOH A . -F 5 HOH 59 862 64 HOH HOH A . -F 5 HOH 60 863 65 HOH HOH A . -F 5 HOH 61 864 66 HOH HOH A . -F 5 HOH 62 865 67 HOH HOH A . -F 5 HOH 63 866 70 HOH HOH A . -F 5 HOH 64 867 71 HOH HOH A . -# -_pdbx_struct_mod_residue.id 1 -_pdbx_struct_mod_residue.label_asym_id A -_pdbx_struct_mod_residue.label_seq_id 140 -_pdbx_struct_mod_residue.label_comp_id CSE -_pdbx_struct_mod_residue.auth_asym_id A -_pdbx_struct_mod_residue.auth_seq_id 140 -_pdbx_struct_mod_residue.auth_comp_id CSE -_pdbx_struct_mod_residue.PDB_ins_code ? -_pdbx_struct_mod_residue.parent_comp_id CYS -_pdbx_struct_mod_residue.details SELENOCYSTEINE -# -_pdbx_validate_rmsd_angle.id 1 -_pdbx_validate_rmsd_angle.PDB_model_num 1 -_pdbx_validate_rmsd_angle.auth_atom_id_1 CA -_pdbx_validate_rmsd_angle.auth_asym_id_1 A -_pdbx_validate_rmsd_angle.auth_comp_id_1 LEU -_pdbx_validate_rmsd_angle.auth_seq_id_1 505 -_pdbx_validate_rmsd_angle.PDB_ins_code_1 ? -_pdbx_validate_rmsd_angle.label_alt_id_1 ? -_pdbx_validate_rmsd_angle.auth_atom_id_2 CB -_pdbx_validate_rmsd_angle.auth_asym_id_2 A -_pdbx_validate_rmsd_angle.auth_comp_id_2 LEU -_pdbx_validate_rmsd_angle.auth_seq_id_2 505 -_pdbx_validate_rmsd_angle.PDB_ins_code_2 ? -_pdbx_validate_rmsd_angle.label_alt_id_2 ? -_pdbx_validate_rmsd_angle.auth_atom_id_3 CG -_pdbx_validate_rmsd_angle.auth_asym_id_3 A -_pdbx_validate_rmsd_angle.auth_comp_id_3 LEU -_pdbx_validate_rmsd_angle.auth_seq_id_3 505 -_pdbx_validate_rmsd_angle.PDB_ins_code_3 ? -_pdbx_validate_rmsd_angle.label_alt_id_3 ? -_pdbx_validate_rmsd_angle.angle_deviation 16.4 -# -loop_ -_pdbx_validate_torsion.id -_pdbx_validate_torsion.PDB_model_num -_pdbx_validate_torsion.auth_comp_id -_pdbx_validate_torsion.auth_asym_id -_pdbx_validate_torsion.auth_seq_id -_pdbx_validate_torsion.PDB_ins_code -_pdbx_validate_torsion.phi -_pdbx_validate_torsion.psi -1 1 TYR A 10 ? -95.58 -101.04 -2 1 ASN A 23 ? 69.96 -117.91 -3 1 LYS A 74 ? 87.48 96.08 -4 1 ARG A 110 ? -98.74 -147.55 -5 1 ASN A 132 ? -64.51 68.99 -6 1 CYS A 136 ? -58.53 -0.64 -7 1 ASP A 165 ? -57.52 -1.60 -8 1 TYR A 175 ? -174.72 133.30 -9 1 ASN A 220 ? -39.43 127.37 -10 1 TYR A 262 ? -63.22 75.02 -11 1 GLU A 268 ? -16.37 -63.21 -12 1 VAL A 299 ? -107.91 -63.67 -13 1 GLN A 301 ? -78.86 38.87 -14 1 ALA A 327 ? -156.33 -143.26 -15 1 ALA A 346 ? -84.19 46.55 -16 1 TYR A 399 ? -106.42 78.57 -17 1 LEU A 406 ? -59.54 6.44 -18 1 GLN A 407 ? -138.11 -33.33 -19 1 ALA A 438 ? -95.97 36.39 -20 1 ASP A 459 ? -93.03 45.79 -21 1 PRO A 510 ? -48.86 -13.78 -22 1 ASP A 549 ? 66.11 -2.29 -23 1 ILE A 566 ? -57.42 -73.75 -24 1 THR A 570 ? -87.67 -156.58 -25 1 VAL A 580 ? -135.48 -152.21 -26 1 SER A 587 ? 51.61 -122.17 -27 1 ASP A 603 ? -128.21 -166.26 -28 1 THR A 612 ? -47.62 -80.26 -29 1 LYS A 634 ? -161.29 107.44 -30 1 GLN A 640 ? -161.71 86.49 -31 1 ALA A 660 ? -69.75 98.58 -32 1 ASN A 668 ? -109.23 67.60 -33 1 LYS A 674 ? 61.18 62.48 -34 1 LEU A 714 ? -99.73 41.72 -# -loop_ -_pdbx_validate_planes.id -_pdbx_validate_planes.PDB_model_num -_pdbx_validate_planes.auth_comp_id -_pdbx_validate_planes.auth_asym_id -_pdbx_validate_planes.auth_seq_id -_pdbx_validate_planes.PDB_ins_code -_pdbx_validate_planes.rmsd -_pdbx_validate_planes.type -1 1 TYR A 573 ? 0.068 SIDE_CHAIN -2 1 TYR A 678 ? 0.072 SIDE_CHAIN -# -loop_ -_pdbx_entity_nonpoly.entity_id -_pdbx_entity_nonpoly.name -_pdbx_entity_nonpoly.comp_id -2 'IRON/SULFUR CLUSTER' SF4 -3 '2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE' MGD -4 'MOLYBDENUM(VI) ION' 6MO -5 water HOH -# diff --git a/biojava-structure/src/test/resources/1fdo.pdb b/biojava-structure/src/test/resources/1fdo.pdb deleted file mode 100644 index 31b9ce3269..0000000000 --- a/biojava-structure/src/test/resources/1fdo.pdb +++ /dev/null @@ -1,6448 +0,0 @@ -HEADER OXIDOREDUCTASE 27-JAN-97 1FDO -TITLE OXIDIZED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: FORMATE DEHYDROGENASE H; -COMPND 3 CHAIN: A; -COMPND 4 SYNONYM: FDH-H; -COMPND 5 EC: 1.2.1.2; -COMPND 6 ENGINEERED: YES; -COMPND 7 OTHER_DETAILS: OXIDIZED FORM (MO(VI),FE4S4(OX)) OF FDH-H -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; -SOURCE 3 ORGANISM_TAXID: 562; -SOURCE 4 STRAIN: FM911; -SOURCE 5 GENE: FDHF; -SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; -SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PFM20; -SOURCE 9 OTHER_DETAILS: FDH-H WAS EXPRESSED ANAEROBICALLY -KEYWDS OXIDOREDUCTASE, SELENIUM, SELENOCYSTEINE, SECYS, MOLYBDENUM, -KEYWDS 2 MOLYBDOPTERIN, MPT, MOLYBDOPTERIN GUANINE DINUCLEOTIDE, MGD, -KEYWDS 3 IRON SULFUR CLUSTER, FE4S4, FORMATE, DEHYDROGENASE, -KEYWDS 4 ANAEROBIC -EXPDTA X-RAY DIFFRACTION -AUTHOR P.D.SUN,J.C.BOYINGTON -REVDAT 3 24-MAR-09 1FDO 1 ATOM CONECT -REVDAT 2 24-FEB-09 1FDO 1 VERSN -REVDAT 1 20-AUG-97 1FDO 0 -JRNL AUTH J.C.BOYINGTON,V.N.GLADYSHEV,S.V.KHANGULOV, -JRNL AUTH 2 T.C.STADTMAN,P.D.SUN -JRNL TITL CRYSTAL STRUCTURE OF FORMATE DEHYDROGENASE H: -JRNL TITL 2 CATALYSIS INVOLVING MO, MOLYBDOPTERIN, -JRNL TITL 3 SELENOCYSTEINE, AND AN FE4S4 CLUSTER. -JRNL REF SCIENCE V. 275 1305 1997 -JRNL REFN ISSN 0036-8075 -JRNL PMID 9036855 -JRNL DOI 10.1126/SCIENCE.275.5304.1305 -REMARK 1 -REMARK 1 REFERENCE 1 -REMARK 1 AUTH V.N.GLADYSHEV,J.C.BOYINGTON,S.V.KHANGULOV, -REMARK 1 AUTH 2 D.A.GRAHAME,T.C.STADTMAN,P.D.SUN -REMARK 1 TITL CHARACTERIZATION OF CRYSTALLINE FORMATE -REMARK 1 TITL 2 DEHYDROGENASE H FROM ESCHERICHIA COLI. -REMARK 1 TITL 3 STABILIZATION, EPR SPECTROSCOPY, AND PRELIMINARY -REMARK 1 TITL 4 CRYSTALLOGRAPHIC ANALYSIS -REMARK 1 REF J.BIOL.CHEM. V. 271 8095 1996 -REMARK 1 REFN ISSN 0021-9258 -REMARK 2 -REMARK 2 RESOLUTION. 2.80 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : X-PLOR 3.1 -REMARK 3 AUTHORS : BRUNGER -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 -REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 100000.000 -REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.1000 -REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 90.0 -REMARK 3 NUMBER OF REFLECTIONS : 18013 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT -REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM -REMARK 3 R VALUE (WORKING SET) : 0.192 -REMARK 3 FREE R VALUE : 0.281 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700 -REMARK 3 FREE R VALUE TEST SET COUNT : 849 -REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010 -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : 10 -REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.80 -REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.89 -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 77.20 -REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1518 -REMARK 3 BIN R VALUE (WORKING SET) : 0.2310 -REMARK 3 BIN FREE R VALUE : 0.3300 -REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.30 -REMARK 3 BIN FREE R VALUE TEST SET COUNT : 69 -REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.039 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 5566 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 103 -REMARK 3 SOLVENT ATOMS : 64 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.50 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : NULL -REMARK 3 B22 (A**2) : NULL -REMARK 3 B33 (A**2) : NULL -REMARK 3 B12 (A**2) : NULL -REMARK 3 B13 (A**2) : NULL -REMARK 3 B23 (A**2) : NULL -REMARK 3 -REMARK 3 ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL -REMARK 3 ESD FROM SIGMAA (A) : NULL -REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL -REMARK 3 -REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL -REMARK 3 ESD FROM C-V SIGMAA (A) : NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 BOND LENGTHS (A) : 0.013 -REMARK 3 BOND ANGLES (DEGREES) : 1.85 -REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.70 -REMARK 3 IMPROPER ANGLES (DEGREES) : 1.54 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; 1.500 -REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; 2.000 -REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; 2.500 -REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; 2.500 -REMARK 3 -REMARK 3 NCS MODEL : NULL -REMARK 3 -REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT -REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL -REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO -REMARK 3 PARAMETER FILE 2 : NULL -REMARK 3 PARAMETER FILE 3 : NULL -REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO -REMARK 3 TOPOLOGY FILE 2 : NULL -REMARK 3 TOPOLOGY FILE 3 : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1FDO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : OCT-95 -REMARK 200 TEMPERATURE (KELVIN) : 93 -REMARK 200 PH : 7.5 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : N -REMARK 200 RADIATION SOURCE : ROTATING ANODE -REMARK 200 BEAMLINE : NULL -REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 -REMARK 200 MONOCHROMATOR : NI FILTER -REMARK 200 OPTICS : MIRRORS -REMARK 200 -REMARK 200 DETECTOR TYPE : IMAGE PLATE -REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO -REMARK 200 DATA SCALING SOFTWARE : SCALEPACK -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20861 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800 -REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 93.4 -REMARK 200 DATA REDUNDANCY : 4.000 -REMARK 200 R MERGE (I) : 0.07900 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : 22.1000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.90 -REMARK 200 COMPLETENESS FOR SHELL (%) : 91.4 -REMARK 200 DATA REDUNDANCY IN SHELL : NULL -REMARK 200 R MERGE FOR SHELL (I) : 0.20000 -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : 8.400 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: NULL -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER -REMARK 200 ANALYSIS USING PHASES FROM THE STRUCTURE OF REDUCED FDH-H (PDB -REMARK 200 ENTRY 1AA6) -REMARK 200 SOFTWARE USED: X-PLOR 3.1 -REMARK 200 STARTING MODEL: NULL -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 55.00 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.70 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: FDH-H WAS CRYSTALLIZED BY HANGING -REMARK 280 DROP VAPOR DIFFUSION IN AN ANAEROBIC ATMOSPHERE IN THE -REMARK 280 PRESENCE OF 1.5 M AMMONIUM SULFATE, 1% PEG 400, 20 MM SODIUM -REMARK 280 FORMATE AND 100 MM HEPES/NAOH AT PH 7.5. PRIOR TO FREEZING IN -REMARK 280 LIQUID NITROGEN, CRYSTALS WERE OXIDIZED BY SOAKING IN 10 MM -REMARK 280 BENZYL VIOLOGEN FOR 30 MINUTES., VAPOR DIFFUSION - HANGING -REMARK 280 DROP IN ANAEROBIC ATMOSPHERE -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X,-Y,Z+1/2 -REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 -REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 -REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 -REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 -REMARK 290 7555 Y,X,-Z -REMARK 290 8555 -Y,-X,-Z+1/2 -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 40.55000 -REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 73.30000 -REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 73.30000 -REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 20.27500 -REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 73.30000 -REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 73.30000 -REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 60.82500 -REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 73.30000 -REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 73.30000 -REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 20.27500 -REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 73.30000 -REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 73.30000 -REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 60.82500 -REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 40.55000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 LEU A 505 CA - CB - CG ANGL. DEV. = 16.4 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 TYR A 10 -101.04 -95.58 -REMARK 500 ASN A 23 -117.91 69.96 -REMARK 500 LYS A 74 96.08 87.48 -REMARK 500 ARG A 110 -147.55 -98.74 -REMARK 500 ASN A 132 68.99 -64.51 -REMARK 500 CYS A 136 -0.64 -58.53 -REMARK 500 ASP A 165 -1.60 -57.52 -REMARK 500 TYR A 175 133.30 -174.72 -REMARK 500 ASN A 220 127.37 -39.43 -REMARK 500 TYR A 262 75.02 -63.22 -REMARK 500 GLU A 268 -63.21 -16.37 -REMARK 500 VAL A 299 -63.67 -107.91 -REMARK 500 GLN A 301 38.87 -78.86 -REMARK 500 ALA A 327 -143.26 -156.33 -REMARK 500 ALA A 346 46.55 -84.19 -REMARK 500 TYR A 399 78.57 -106.42 -REMARK 500 LEU A 406 6.44 -59.54 -REMARK 500 GLN A 407 -33.33 -138.11 -REMARK 500 ALA A 438 36.39 -95.97 -REMARK 500 ASP A 459 45.79 -93.03 -REMARK 500 PRO A 510 -13.78 -48.86 -REMARK 500 ASP A 549 -2.29 66.11 -REMARK 500 ILE A 566 -73.75 -57.42 -REMARK 500 THR A 570 -156.58 -87.67 -REMARK 500 VAL A 580 -152.21 -135.48 -REMARK 500 SER A 587 -122.17 51.61 -REMARK 500 ASP A 603 -166.26 -128.21 -REMARK 500 THR A 612 -80.26 -47.62 -REMARK 500 LYS A 634 107.44 -161.29 -REMARK 500 GLN A 640 86.49 -161.71 -REMARK 500 ALA A 660 98.58 -69.75 -REMARK 500 ASN A 668 67.60 -109.23 -REMARK 500 LYS A 674 62.48 61.18 -REMARK 500 LEU A 714 41.72 -99.73 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: PLANAR GROUPS -REMARK 500 -REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL -REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE -REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN -REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS -REMARK 500 AN RMSD GREATER THAN THIS VALUE -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 M RES CSSEQI RMS TYPE -REMARK 500 TYR A 573 0.07 SIDE_CHAIN -REMARK 500 TYR A 678 0.07 SIDE_CHAIN -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 525 -REMARK 525 SOLVENT -REMARK 525 -REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT -REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST -REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT -REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE -REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; -REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE -REMARK 525 NUMBER; I=INSERTION CODE): -REMARK 525 -REMARK 525 M RES CSSEQI -REMARK 525 HOH A 823 DISTANCE = 5.14 ANGSTROMS -REMARK 620 -REMARK 620 METAL COORDINATION -REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 6MO A 803 MO -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 MGD A 801 S12 -REMARK 620 2 MGD A 801 S13 77.8 -REMARK 620 3 MGD A 802 S12 153.5 99.3 -REMARK 620 4 MGD A 802 S13 74.6 118.7 84.2 -REMARK 620 5 HOH A 861 O 94.3 132.2 106.3 103.7 -REMARK 620 6 CSE A 140 SE 133.2 92.7 72.9 144.0 58.9 -REMARK 620 N 1 2 3 4 5 -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: MO4 -REMARK 800 EVIDENCE_CODE: UNKNOWN -REMARK 800 SITE_DESCRIPTION: THE MOLYBDENUM ATOM IS COORDINATED TO THE -REMARK 800 SELENIUM ATOM OF SEC 140, THE OXYGEN ATOM OF A HYDROXYL ION -REMARK 800 (HOH 63) AND THE FOUR SULFUR ATOMS OF MGD 801 AND MGD 802. -REMARK 800 SITE_IDENTIFIER: FS4 -REMARK 800 EVIDENCE_CODE: UNKNOWN -REMARK 800 SITE_DESCRIPTION: THE IRON SULFUR CLUSTER IS COORDINATED TO THE -REMARK 800 SULFUR ATOMS OF CYS 8, CYS 11, CYS 15, AND CYS 42. -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 A 800 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MGD A 801 -REMARK 800 SITE_IDENTIFIER: AC3 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MGD A 802 -REMARK 800 SITE_IDENTIFIER: AC4 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 6MO A 803 -DBREF 1FDO A 1 715 UNP P07658 FDHF_ECOLI 1 715 -SEQADV 1FDO CSE A 140 UNP P07658 CYS 140 MODIFIED RESIDUE -SEQRES 1 A 715 MET LYS LYS VAL VAL THR VAL CYS PRO TYR CYS ALA SER -SEQRES 2 A 715 GLY CYS LYS ILE ASN LEU VAL VAL ASP ASN GLY LYS ILE -SEQRES 3 A 715 VAL ARG ALA GLU ALA ALA GLN GLY LYS THR ASN GLN GLY -SEQRES 4 A 715 THR LEU CYS LEU LYS GLY TYR TYR GLY TRP ASP PHE ILE -SEQRES 5 A 715 ASN ASP THR GLN ILE LEU THR PRO ARG LEU LYS THR PRO -SEQRES 6 A 715 MET ILE ARG ARG GLN ARG GLY GLY LYS LEU GLU PRO VAL -SEQRES 7 A 715 SER TRP ASP GLU ALA LEU ASN TYR VAL ALA GLU ARG LEU -SEQRES 8 A 715 SER ALA ILE LYS GLU LYS TYR GLY PRO ASP ALA ILE GLN -SEQRES 9 A 715 THR THR GLY SER SER ARG GLY THR GLY ASN GLU THR ASN -SEQRES 10 A 715 TYR VAL MET GLN LYS PHE ALA ARG ALA VAL ILE GLY THR -SEQRES 11 A 715 ASN ASN VAL ASP CYS CYS ALA ARG VAL CSE HIS GLY PRO -SEQRES 12 A 715 SER VAL ALA GLY LEU HIS GLN SER VAL GLY ASN GLY ALA -SEQRES 13 A 715 MET SER ASN ALA ILE ASN GLU ILE ASP ASN THR ASP LEU -SEQRES 14 A 715 VAL PHE VAL PHE GLY TYR ASN PRO ALA ASP SER HIS PRO -SEQRES 15 A 715 ILE VAL ALA ASN HIS VAL ILE ASN ALA LYS ARG ASN GLY -SEQRES 16 A 715 ALA LYS ILE ILE VAL CYS ASP PRO ARG LYS ILE GLU THR -SEQRES 17 A 715 ALA ARG ILE ALA ASP MET HIS ILE ALA LEU LYS ASN GLY -SEQRES 18 A 715 SER ASN ILE ALA LEU LEU ASN ALA MET GLY HIS VAL ILE -SEQRES 19 A 715 ILE GLU GLU ASN LEU TYR ASP LYS ALA PHE VAL ALA SER -SEQRES 20 A 715 ARG THR GLU GLY PHE GLU GLU TYR ARG LYS ILE VAL GLU -SEQRES 21 A 715 GLY TYR THR PRO GLU SER VAL GLU ASP ILE THR GLY VAL -SEQRES 22 A 715 SER ALA SER GLU ILE ARG GLN ALA ALA ARG MET TYR ALA -SEQRES 23 A 715 GLN ALA LYS SER ALA ALA ILE LEU TRP GLY MET GLY VAL -SEQRES 24 A 715 THR GLN PHE TYR GLN GLY VAL GLU THR VAL ARG SER LEU -SEQRES 25 A 715 THR SER LEU ALA MET LEU THR GLY ASN LEU GLY LYS PRO -SEQRES 26 A 715 HIS ALA GLY VAL ASN PRO VAL ARG GLY GLN ASN ASN VAL -SEQRES 27 A 715 GLN GLY ALA CYS ASP MET GLY ALA LEU PRO ASP THR TYR -SEQRES 28 A 715 PRO GLY TYR GLN TYR VAL LYS ASP PRO ALA ASN ARG GLU -SEQRES 29 A 715 LYS PHE ALA LYS ALA TRP GLY VAL GLU SER LEU PRO ALA -SEQRES 30 A 715 HIS THR GLY TYR ARG ILE SER GLU LEU PRO HIS ARG ALA -SEQRES 31 A 715 ALA HIS GLY GLU VAL ARG ALA ALA TYR ILE MET GLY GLU -SEQRES 32 A 715 ASP PRO LEU GLN THR ASP ALA GLU LEU SER ALA VAL ARG -SEQRES 33 A 715 LYS ALA PHE GLU ASP LEU GLU LEU VAL ILE VAL GLN ASP -SEQRES 34 A 715 ILE PHE MET THR LYS THR ALA SER ALA ALA ASP VAL ILE -SEQRES 35 A 715 LEU PRO SER THR SER TRP GLY GLU HIS GLU GLY VAL PHE -SEQRES 36 A 715 THR ALA ALA ASP ARG GLY PHE GLN ARG PHE PHE LYS ALA -SEQRES 37 A 715 VAL GLU PRO LYS TRP ASP LEU LYS THR ASP TRP GLN ILE -SEQRES 38 A 715 ILE SER GLU ILE ALA THR ARG MET GLY TYR PRO MET HIS -SEQRES 39 A 715 TYR ASN ASN THR GLN GLU ILE TRP ASP GLU LEU ARG HIS -SEQRES 40 A 715 LEU CYS PRO ASP PHE TYR GLY ALA THR TYR GLU LYS MET -SEQRES 41 A 715 GLY GLU LEU GLY PHE ILE GLN TRP PRO CYS ARG ASP THR -SEQRES 42 A 715 SER ASP ALA ASP GLN GLY THR SER TYR LEU PHE LYS GLU -SEQRES 43 A 715 LYS PHE ASP THR PRO ASN GLY LEU ALA GLN PHE PHE THR -SEQRES 44 A 715 CYS ASP TRP VAL ALA PRO ILE ASP LYS LEU THR ASP GLU -SEQRES 45 A 715 TYR PRO MET VAL LEU SER THR VAL ARG GLU VAL GLY HIS -SEQRES 46 A 715 TYR SER CYS ARG SER MET THR GLY ASN CYS ALA ALA LEU -SEQRES 47 A 715 ALA ALA LEU ALA ASP GLU PRO GLY TYR ALA GLN ILE ASN -SEQRES 48 A 715 THR GLU ASP ALA LYS ARG LEU GLY ILE GLU ASP GLU ALA -SEQRES 49 A 715 LEU VAL TRP VAL HIS SER ARG LYS GLY LYS ILE ILE THR -SEQRES 50 A 715 ARG ALA GLN VAL SER ASP ARG PRO ASN LYS GLY ALA ILE -SEQRES 51 A 715 TYR MET THR TYR GLN TRP TRP ILE GLY ALA CYS ASN GLU -SEQRES 52 A 715 LEU VAL THR GLU ASN LEU SER PRO ILE THR LYS THR PRO -SEQRES 53 A 715 GLU TYR LYS TYR CYS ALA VAL ARG VAL GLU PRO ILE ALA -SEQRES 54 A 715 ASP GLN ARG ALA ALA GLU GLN TYR VAL ILE ASP GLU TYR -SEQRES 55 A 715 ASN LYS LEU LYS THR ARG LEU ARG GLU ALA ALA LEU ALA -MODRES 1FDO CSE A 140 CYS SELENOCYSTEINE -HET CSE A 140 6 -HET SF4 A 800 8 -HET MGD A 801 47 -HET MGD A 802 47 -HET 6MO A 803 1 -HETNAM CSE SELENOCYSTEINE -HETNAM SF4 IRON/SULFUR CLUSTER -HETNAM MGD 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8- -HETNAM 2 MGD OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE -HETNAM 3 MGD DINUCLEOTIDE -HETNAM 6MO MOLYBDENUM(VI) ION -HETSYN MGD MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE -FORMUL 1 CSE C3 H7 N O2 SE -FORMUL 2 SF4 FE4 S4 -FORMUL 3 MGD 2(C20 H26 N10 O13 P2 S2) -FORMUL 5 6MO MO 6+ -FORMUL 6 HOH *64(H2 O) -HELIX 1 H1 LEU A 43 TYR A 47 1 5 -HELIX 2 G1 ASP A 50 ASN A 53 5 4 -HELIX 3 H2 TRP A 80 TYR A 98 1 19 -HELIX 4 H3 ASN A 114 ILE A 128 1 15 -HELIX 5 G2 CYS A 136 VAL A 139 5 4 -HELIX 6 H4 GLY A 142 VAL A 152 1 11 -HELIX 7 G3 ILE A 161 ASN A 166 5 6 -HELIX 8 H5 PRO A 177 SER A 180 1 4 -HELIX 9 H6 PRO A 182 ARG A 193 1 12 -HELIX 10 G4 GLU A 207 ILE A 211 5 5 -HELIX 11 H7 ASN A 223 GLU A 236 1 14 -HELIX 12 H8 LYS A 242 ARG A 248 1 7 -HELIX 13 H9 PHE A 252 VAL A 259 1 8 -HELIX 14 H10 PRO A 264 THR A 271 1 8 -HELIX 15 H11 ALA A 275 GLN A 287 1 13 -HELIX 16 H12 MET A 297 THR A 300 1 4 -HELIX 17 H13 GLY A 305 THR A 319 1 15 -HELIX 18 H14 VAL A 338 ASP A 343 1 6 -HELIX 19 H15 PRO A 360 ALA A 369 1 10 -HELIX 20 H16 LEU A 386 ALA A 391 1 6 -HELIX 21 H17 PRO A 405 THR A 408 1 4 -HELIX 22 H18 LEU A 412 ASP A 421 1 10 -HELIX 23 H19 LYS A 434 SER A 437 1 4 -HELIX 24 H20 ASP A 478 ARG A 488 1 11 -HELIX 25 H21 THR A 498 LEU A 508 1 11 -HELIX 26 H22 TYR A 517 MET A 520 1 4 -HELIX 27 H23 MET A 591 ASN A 594 1 4 -HELIX 28 H24 ALA A 596 LEU A 601 1 6 -HELIX 29 H25 THR A 612 LEU A 618 1 7 -HELIX 30 G5 CYS A 661 LEU A 664 5 4 -HELIX 31 H26 GLN A 691 ALA A 715 1 25 -SHEET 1 A 3 LYS A 2 VAL A 7 0 -SHEET 2 A 3 LYS A 16 VAL A 21 -1 N ILE A 17 O THR A 6 -SHEET 3 A 3 ILE A 26 ALA A 31 -1 N GLU A 30 O ASN A 18 -SHEET 1 B 6 MET A 66 ARG A 68 0 -SHEET 2 B 6 VAL A 441 PRO A 444 -1 N ILE A 442 O MET A 66 -SHEET 3 B 6 LEU A 424 ASP A 429 1 O VAL A 427 N LEU A 443 -SHEET 4 B 6 ALA A 397 MET A 401 1 O ALA A 398 N ILE A 426 -SHEET 5 B 6 ILE A 103 THR A 106 1 O GLN A 104 N TYR A 399 -SHEET 6 B 6 VAL A 133 ASP A 134 1 N ASP A 134 O THR A 105 -SHEET 1 C 5 MET A 214 ILE A 216 0 -SHEET 2 C 5 LYS A 197 CYS A 201 1 O VAL A 200 N ILE A 216 -SHEET 3 C 5 LEU A 169 PHE A 173 1 O VAL A 170 N ILE A 199 -SHEET 4 C 5 ALA A 291 TRP A 295 1 N LEU A 294 O PHE A 171 -SHEET 5 C 5 VAL A 329 PRO A 331 1 N ASN A 330 O ILE A 293 -SHEET 1 D 3 GLY A 453 THR A 456 0 -SHEET 2 D 3 GLY A 461 PHE A 465 -1 N GLN A 463 O PHE A 455 -SHEET 3 D 3 ILE A 526 GLN A 527 -1 O ILE A 526 N PHE A 462 -SHEET 1 E 7 MET A 575 THR A 579 0 -SHEET 2 E 7 ALA A 649 MET A 652 1 O ILE A 650 N SER A 578 -SHEET 3 E 7 TYR A 607 ASN A 611 -1 O GLN A 609 N TYR A 651 -SHEET 4 E 7 LYS A 634 SER A 642 1 N GLN A 640 O ALA A 608 -SHEET 5 E 7 LEU A 625 HIS A 629 -1 N VAL A 628 O ILE A 635 -SHEET 6 E 7 TYR A 680 PRO A 687 -1 N GLU A 686 O TRP A 627 -SHEET 7 E 7 MET A 575 THR A 579 -1 O MET A 575 N VAL A 683 -LINK N CSE A 140 C VAL A 139 1555 1555 1.33 -LINK C CSE A 140 N HIS A 141 1555 1555 1.33 -LINK SG CYS A 8 FE2 SF4 A 800 1555 1555 2.33 -LINK SG CYS A 11 FE4 SF4 A 800 1555 1555 2.35 -LINK SG CYS A 15 FE3 SF4 A 800 1555 1555 2.24 -LINK SG CYS A 42 FE1 SF4 A 800 1555 1555 2.37 -LINK S12 MGD A 801 MO 6MO A 803 1555 1555 2.49 -LINK S13 MGD A 801 MO 6MO A 803 1555 1555 2.35 -LINK S12 MGD A 802 MO 6MO A 803 1555 1555 2.37 -LINK S13 MGD A 802 MO 6MO A 803 1555 1555 2.44 -LINK MO 6MO A 803 O HOH A 861 1555 1555 2.14 -LINK SE CSE A 140 MO 6MO A 803 1555 1555 2.60 -CISPEP 1 TRP A 528 PRO A 529 0 -0.01 -CISPEP 2 GLU A 604 PRO A 605 0 0.01 -SITE 1 MO4 5 CSE A 140 MGD A 801 MGD A 802 LYS A 63 -SITE 2 MO4 5 6MO A 803 -SITE 1 FS4 5 SF4 A 800 CYS A 8 CYS A 11 CYS A 15 -SITE 2 FS4 5 CYS A 42 -SITE 1 AC1 10 CYS A 8 TYR A 10 CYS A 11 SER A 13 -SITE 2 AC1 10 CYS A 15 LEU A 41 CYS A 42 LYS A 44 -SITE 3 AC1 10 GLY A 45 PRO A 182 -SITE 1 AC2 36 ARG A 110 GLY A 111 THR A 112 VAL A 139 -SITE 2 AC2 36 CSE A 140 MET A 297 GLN A 301 GLN A 335 -SITE 3 AC2 36 GLY A 402 GLU A 403 ASP A 404 THR A 408 -SITE 4 AC2 36 GLN A 428 ASP A 429 ILE A 430 PHE A 431 -SITE 5 AC2 36 THR A 433 SER A 445 THR A 446 HIS A 451 -SITE 6 AC2 36 ASP A 478 THR A 579 ARG A 581 SER A 587 -SITE 7 AC2 36 CYS A 588 SER A 590 TYR A 654 CYS A 661 -SITE 8 AC2 36 ASN A 662 TYR A 678 LYS A 679 MGD A 802 -SITE 9 AC2 36 6MO A 803 HOH A 814 HOH A 828 HOH A 849 -SITE 1 AC3 34 LYS A 44 CSE A 140 PHE A 173 GLY A 174 -SITE 2 AC3 34 TYR A 175 ASN A 176 ASP A 179 SER A 180 -SITE 3 AC3 34 CYS A 201 ASP A 202 PRO A 203 ARG A 204 -SITE 4 AC3 34 ILE A 206 GLY A 221 ASN A 223 GLY A 296 -SITE 5 AC3 34 MET A 297 GLY A 298 PHE A 302 GLY A 334 -SITE 6 AC3 34 GLN A 335 SER A 578 VAL A 580 ARG A 581 -SITE 7 AC3 34 GLU A 582 VAL A 583 HIS A 585 TYR A 586 -SITE 8 AC3 34 SER A 587 TYR A 654 LYS A 679 MGD A 801 -SITE 9 AC3 34 6MO A 803 HOH A 804 -SITE 1 AC4 4 CSE A 140 MGD A 801 MGD A 802 HOH A 861 -CRYST1 146.600 146.600 81.100 90.00 90.00 90.00 P 41 21 2 8 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 0.006821 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.006821 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.012330 0.00000 -ATOM 1 N MET A 1 69.175 1.588 30.187 1.00 30.48 N -ATOM 2 CA MET A 1 68.972 3.049 30.346 1.00 29.76 C -ATOM 3 C MET A 1 70.121 3.387 31.249 1.00 30.39 C -ATOM 4 O MET A 1 70.396 2.622 32.169 1.00 32.08 O -ATOM 5 CB MET A 1 67.664 3.327 31.064 1.00 27.72 C -ATOM 6 CG MET A 1 67.326 4.768 31.102 1.00 26.60 C -ATOM 7 SD MET A 1 65.765 5.092 30.256 1.00 29.83 S -ATOM 8 CE MET A 1 65.067 6.265 31.401 1.00 27.19 C -ATOM 9 N LYS A 2 70.824 4.476 30.971 1.00 29.60 N -ATOM 10 CA LYS A 2 71.962 4.841 31.790 1.00 28.27 C -ATOM 11 C LYS A 2 72.069 6.339 31.955 1.00 27.25 C -ATOM 12 O LYS A 2 71.306 7.089 31.365 1.00 27.09 O -ATOM 13 CB LYS A 2 73.259 4.300 31.185 1.00 28.17 C -ATOM 14 CG LYS A 2 73.572 4.849 29.807 1.00 30.42 C -ATOM 15 CD LYS A 2 75.031 4.619 29.479 1.00 33.82 C -ATOM 16 CE LYS A 2 75.476 5.391 28.238 1.00 35.40 C -ATOM 17 NZ LYS A 2 76.972 5.606 28.239 1.00 37.26 N -ATOM 18 N LYS A 3 73.021 6.750 32.783 1.00 26.03 N -ATOM 19 CA LYS A 3 73.286 8.143 33.052 1.00 25.07 C -ATOM 20 C LYS A 3 74.744 8.422 32.751 1.00 24.40 C -ATOM 21 O LYS A 3 75.623 7.628 33.103 1.00 23.94 O -ATOM 22 CB LYS A 3 72.942 8.490 34.497 1.00 25.34 C -ATOM 23 CG LYS A 3 71.494 8.911 34.622 1.00 28.94 C -ATOM 24 CD LYS A 3 71.097 9.284 36.036 1.00 32.47 C -ATOM 25 CE LYS A 3 69.576 9.295 36.165 1.00 34.47 C -ATOM 26 NZ LYS A 3 69.101 9.160 37.590 1.00 37.49 N -ATOM 27 N VAL A 4 74.986 9.534 32.061 1.00 23.14 N -ATOM 28 CA VAL A 4 76.326 9.955 31.669 1.00 21.10 C -ATOM 29 C VAL A 4 76.545 11.304 32.324 1.00 19.90 C -ATOM 30 O VAL A 4 75.723 12.193 32.189 1.00 20.26 O -ATOM 31 CB VAL A 4 76.439 10.086 30.116 1.00 20.76 C -ATOM 32 CG1 VAL A 4 77.835 10.449 29.695 1.00 19.06 C -ATOM 33 CG2 VAL A 4 76.035 8.793 29.453 1.00 19.98 C -ATOM 34 N VAL A 5 77.617 11.419 33.093 1.00 19.46 N -ATOM 35 CA VAL A 5 77.959 12.651 33.788 1.00 18.42 C -ATOM 36 C VAL A 5 78.576 13.677 32.847 1.00 19.01 C -ATOM 37 O VAL A 5 79.347 13.331 31.953 1.00 19.75 O -ATOM 38 CB VAL A 5 78.954 12.357 34.894 1.00 18.09 C -ATOM 39 CG1 VAL A 5 79.429 13.643 35.535 1.00 20.21 C -ATOM 40 CG2 VAL A 5 78.302 11.467 35.914 1.00 18.68 C -ATOM 41 N THR A 6 78.228 14.942 33.029 1.00 18.60 N -ATOM 42 CA THR A 6 78.783 15.978 32.184 1.00 18.12 C -ATOM 43 C THR A 6 78.759 17.269 32.969 1.00 17.46 C -ATOM 44 O THR A 6 78.338 17.293 34.124 1.00 18.94 O -ATOM 45 CB THR A 6 78.004 16.110 30.850 1.00 19.10 C -ATOM 46 OG1 THR A 6 78.747 16.933 29.934 1.00 21.25 O -ATOM 47 CG2 THR A 6 76.630 16.712 31.074 1.00 17.41 C -ATOM 48 N VAL A 7 79.294 18.317 32.370 1.00 15.57 N -ATOM 49 CA VAL A 7 79.340 19.631 32.978 1.00 14.73 C -ATOM 50 C VAL A 7 78.497 20.471 32.025 1.00 14.89 C -ATOM 51 O VAL A 7 78.452 20.170 30.829 1.00 16.08 O -ATOM 52 CB VAL A 7 80.799 20.147 33.018 1.00 13.81 C -ATOM 53 CG1 VAL A 7 80.837 21.626 33.302 1.00 17.03 C -ATOM 54 CG2 VAL A 7 81.573 19.419 34.070 1.00 11.22 C -ATOM 55 N CYS A 8 77.788 21.478 32.530 1.00 13.78 N -ATOM 56 CA CYS A 8 76.968 22.293 31.644 1.00 13.63 C -ATOM 57 C CYS A 8 77.798 23.194 30.714 1.00 13.28 C -ATOM 58 O CYS A 8 78.718 23.883 31.161 1.00 12.55 O -ATOM 59 CB CYS A 8 75.963 23.114 32.439 1.00 13.13 C -ATOM 60 SG CYS A 8 74.930 24.219 31.417 1.00 15.41 S -ATOM 61 N PRO A 9 77.489 23.170 29.398 1.00 13.31 N -ATOM 62 CA PRO A 9 78.121 23.928 28.303 1.00 13.31 C -ATOM 63 C PRO A 9 77.683 25.396 28.174 1.00 12.18 C -ATOM 64 O PRO A 9 78.071 26.084 27.233 1.00 12.95 O -ATOM 65 CB PRO A 9 77.677 23.153 27.065 1.00 13.41 C -ATOM 66 CG PRO A 9 76.300 22.754 27.427 1.00 14.24 C -ATOM 67 CD PRO A 9 76.493 22.235 28.846 1.00 13.78 C -ATOM 68 N TYR A 10 76.897 25.879 29.120 1.00 10.40 N -ATOM 69 CA TYR A 10 76.413 27.227 29.037 1.00 8.25 C -ATOM 70 C TYR A 10 77.295 28.130 29.828 1.00 8.66 C -ATOM 71 O TYR A 10 78.385 28.434 29.350 1.00 10.76 O -ATOM 72 CB TYR A 10 74.929 27.289 29.411 1.00 9.08 C -ATOM 73 CG TYR A 10 74.098 26.652 28.329 1.00 7.64 C -ATOM 74 CD1 TYR A 10 74.054 27.215 27.072 1.00 9.52 C -ATOM 75 CD2 TYR A 10 73.451 25.435 28.523 1.00 10.91 C -ATOM 76 CE1 TYR A 10 73.395 26.592 26.021 1.00 12.65 C -ATOM 77 CE2 TYR A 10 72.782 24.784 27.464 1.00 10.79 C -ATOM 78 CZ TYR A 10 72.768 25.382 26.220 1.00 11.54 C -ATOM 79 OH TYR A 10 72.141 24.821 25.142 1.00 13.39 O -ATOM 80 N CYS A 11 76.910 28.525 31.040 1.00 7.48 N -ATOM 81 CA CYS A 11 77.786 29.413 31.787 1.00 6.57 C -ATOM 82 C CYS A 11 78.971 28.767 32.537 1.00 5.85 C -ATOM 83 O CYS A 11 79.159 27.562 32.502 1.00 4.79 O -ATOM 84 CB CYS A 11 76.971 30.376 32.643 1.00 8.81 C -ATOM 85 SG CYS A 11 76.427 29.839 34.281 1.00 10.67 S -ATOM 86 N ALA A 12 79.852 29.581 33.108 1.00 7.23 N -ATOM 87 CA ALA A 12 81.016 29.064 33.830 1.00 6.10 C -ATOM 88 C ALA A 12 80.757 28.635 35.267 1.00 6.03 C -ATOM 89 O ALA A 12 81.692 28.497 36.046 1.00 5.99 O -ATOM 90 CB ALA A 12 82.144 30.068 33.796 1.00 4.76 C -ATOM 91 N SER A 13 79.502 28.401 35.626 1.00 6.35 N -ATOM 92 CA SER A 13 79.202 27.978 36.984 1.00 7.00 C -ATOM 93 C SER A 13 79.780 26.585 37.170 1.00 7.90 C -ATOM 94 O SER A 13 80.098 26.192 38.284 1.00 8.69 O -ATOM 95 CB SER A 13 77.700 27.983 37.226 1.00 8.25 C -ATOM 96 OG SER A 13 77.152 29.275 36.993 1.00 11.86 O -ATOM 97 N GLY A 14 79.891 25.842 36.070 1.00 8.07 N -ATOM 98 CA GLY A 14 80.464 24.512 36.113 1.00 9.24 C -ATOM 99 C GLY A 14 79.571 23.473 36.743 1.00 11.39 C -ATOM 100 O GLY A 14 80.049 22.531 37.412 1.00 11.36 O -ATOM 101 N CYS A 15 78.268 23.639 36.532 1.00 11.42 N -ATOM 102 CA CYS A 15 77.285 22.701 37.069 1.00 11.89 C -ATOM 103 C CYS A 15 77.440 21.306 36.452 1.00 11.67 C -ATOM 104 O CYS A 15 77.611 21.180 35.242 1.00 11.28 O -ATOM 105 CB CYS A 15 75.861 23.224 36.841 1.00 10.52 C -ATOM 106 SG CYS A 15 75.444 24.758 37.739 1.00 9.64 S -ATOM 107 N LYS A 16 77.469 20.287 37.313 1.00 12.41 N -ATOM 108 CA LYS A 16 77.566 18.881 36.909 1.00 12.04 C -ATOM 109 C LYS A 16 76.156 18.340 36.606 1.00 13.46 C -ATOM 110 O LYS A 16 75.238 18.457 37.434 1.00 13.62 O -ATOM 111 CB LYS A 16 78.175 18.061 38.039 1.00 10.56 C -ATOM 112 CG LYS A 16 79.676 18.151 38.177 1.00 10.85 C -ATOM 113 CD LYS A 16 80.418 17.345 37.122 1.00 8.91 C -ATOM 114 CE LYS A 16 81.911 17.339 37.446 1.00 10.25 C -ATOM 115 NZ LYS A 16 82.818 16.677 36.464 1.00 10.07 N -ATOM 116 N ILE A 17 76.010 17.702 35.451 1.00 14.25 N -ATOM 117 CA ILE A 17 74.744 17.146 34.977 1.00 16.36 C -ATOM 118 C ILE A 17 74.831 15.635 34.742 1.00 18.80 C -ATOM 119 O ILE A 17 75.912 15.111 34.413 1.00 20.85 O -ATOM 120 CB ILE A 17 74.376 17.777 33.600 1.00 15.80 C -ATOM 121 CG1 ILE A 17 73.906 19.213 33.766 1.00 16.74 C -ATOM 122 CG2 ILE A 17 73.318 16.949 32.842 1.00 15.52 C -ATOM 123 CD1 ILE A 17 73.472 19.804 32.445 1.00 20.20 C -ATOM 124 N ASN A 18 73.693 14.952 34.911 1.00 18.64 N -ATOM 125 CA ASN A 18 73.557 13.523 34.638 1.00 16.77 C -ATOM 126 C ASN A 18 72.631 13.541 33.442 1.00 18.04 C -ATOM 127 O ASN A 18 71.503 14.040 33.538 1.00 18.74 O -ATOM 128 CB ASN A 18 72.826 12.788 35.748 1.00 15.99 C -ATOM 129 CG ASN A 18 73.702 12.476 36.907 1.00 17.06 C -ATOM 130 OD1 ASN A 18 74.921 12.513 36.804 1.00 18.00 O -ATOM 131 ND2 ASN A 18 73.090 12.180 38.039 1.00 16.10 N -ATOM 132 N LEU A 19 73.133 13.123 32.290 1.00 18.11 N -ATOM 133 CA LEU A 19 72.331 13.062 31.083 1.00 17.38 C -ATOM 134 C LEU A 19 71.880 11.621 31.039 1.00 17.17 C -ATOM 135 O LEU A 19 72.720 10.732 31.045 1.00 17.68 O -ATOM 136 CB LEU A 19 73.187 13.353 29.842 1.00 17.95 C -ATOM 137 CG LEU A 19 73.656 14.775 29.498 1.00 17.39 C -ATOM 138 CD1 LEU A 19 74.857 14.749 28.543 1.00 14.48 C -ATOM 139 CD2 LEU A 19 72.505 15.522 28.874 1.00 17.68 C -ATOM 140 N VAL A 20 70.574 11.386 31.055 1.00 17.12 N -ATOM 141 CA VAL A 20 70.040 10.030 31.003 1.00 18.56 C -ATOM 142 C VAL A 20 69.995 9.631 29.532 1.00 20.83 C -ATOM 143 O VAL A 20 69.382 10.338 28.735 1.00 23.67 O -ATOM 144 CB VAL A 20 68.582 9.964 31.543 1.00 17.48 C -ATOM 145 CG1 VAL A 20 68.120 8.533 31.649 1.00 12.38 C -ATOM 146 CG2 VAL A 20 68.463 10.682 32.873 1.00 17.16 C -ATOM 147 N VAL A 21 70.684 8.562 29.151 1.00 22.11 N -ATOM 148 CA VAL A 21 70.653 8.109 27.772 1.00 24.31 C -ATOM 149 C VAL A 21 69.834 6.843 27.758 1.00 27.10 C -ATOM 150 O VAL A 21 69.899 6.050 28.696 1.00 27.74 O -ATOM 151 CB VAL A 21 72.059 7.791 27.202 1.00 23.79 C -ATOM 152 CG1 VAL A 21 71.943 7.200 25.788 1.00 22.56 C -ATOM 153 CG2 VAL A 21 72.896 9.044 27.159 1.00 24.60 C -ATOM 154 N ASP A 22 69.020 6.688 26.722 1.00 30.44 N -ATOM 155 CA ASP A 22 68.190 5.514 26.558 1.00 33.28 C -ATOM 156 C ASP A 22 68.269 5.143 25.086 1.00 35.17 C -ATOM 157 O ASP A 22 67.928 5.948 24.199 1.00 34.57 O -ATOM 158 CB ASP A 22 66.750 5.771 26.995 1.00 34.31 C -ATOM 159 CG ASP A 22 65.880 4.525 26.867 1.00 37.37 C -ATOM 160 OD1 ASP A 22 66.424 3.385 26.868 1.00 35.25 O -ATOM 161 OD2 ASP A 22 64.646 4.693 26.746 1.00 39.28 O -ATOM 162 N ASN A 23 68.702 3.902 24.853 1.00 37.39 N -ATOM 163 CA ASN A 23 68.935 3.355 23.519 1.00 38.31 C -ATOM 164 C ASN A 23 70.160 4.116 23.043 1.00 37.74 C -ATOM 165 O ASN A 23 71.205 4.040 23.699 1.00 40.79 O -ATOM 166 CB ASN A 23 67.723 3.522 22.601 1.00 41.10 C -ATOM 167 CG ASN A 23 66.849 2.277 22.582 1.00 44.24 C -ATOM 168 OD1 ASN A 23 65.925 2.122 23.399 1.00 46.90 O -ATOM 169 ND2 ASN A 23 67.167 1.356 21.679 1.00 44.81 N -ATOM 170 N GLY A 24 70.064 4.887 21.974 1.00 35.04 N -ATOM 171 CA GLY A 24 71.244 5.631 21.576 1.00 32.94 C -ATOM 172 C GLY A 24 70.944 7.109 21.542 1.00 30.17 C -ATOM 173 O GLY A 24 71.494 7.839 20.727 1.00 28.38 O -ATOM 174 N LYS A 25 70.091 7.553 22.455 1.00 29.74 N -ATOM 175 CA LYS A 25 69.668 8.940 22.474 1.00 28.86 C -ATOM 176 C LYS A 25 69.648 9.561 23.865 1.00 28.27 C -ATOM 177 O LYS A 25 69.442 8.860 24.858 1.00 26.35 O -ATOM 178 CB LYS A 25 68.262 9.017 21.887 1.00 28.61 C -ATOM 179 CG LYS A 25 68.107 8.356 20.541 1.00 30.81 C -ATOM 180 CD LYS A 25 66.767 7.658 20.426 1.00 33.37 C -ATOM 181 CE LYS A 25 66.268 7.674 18.993 1.00 36.38 C -ATOM 182 NZ LYS A 25 66.075 9.080 18.470 1.00 39.20 N -ATOM 183 N ILE A 26 69.897 10.872 23.930 1.00 27.96 N -ATOM 184 CA ILE A 26 69.837 11.583 25.203 1.00 28.22 C -ATOM 185 C ILE A 26 68.356 11.793 25.443 1.00 27.82 C -ATOM 186 O ILE A 26 67.631 12.316 24.587 1.00 26.95 O -ATOM 187 CB ILE A 26 70.541 12.944 25.191 1.00 28.64 C -ATOM 188 CG1 ILE A 26 72.064 12.746 25.233 1.00 26.91 C -ATOM 189 CG2 ILE A 26 70.061 13.766 26.407 1.00 28.85 C -ATOM 190 CD1 ILE A 26 72.854 13.918 24.737 1.00 23.69 C -ATOM 191 N VAL A 27 67.936 11.400 26.633 1.00 27.14 N -ATOM 192 CA VAL A 27 66.545 11.431 27.020 1.00 26.20 C -ATOM 193 C VAL A 27 66.134 12.561 27.959 1.00 25.99 C -ATOM 194 O VAL A 27 65.068 13.167 27.802 1.00 26.17 O -ATOM 195 CB VAL A 27 66.202 10.050 27.602 1.00 24.53 C -ATOM 196 CG1 VAL A 27 65.574 10.143 28.959 1.00 23.95 C -ATOM 197 CG2 VAL A 27 65.352 9.315 26.648 1.00 23.76 C -ATOM 198 N ARG A 28 67.014 12.889 28.890 1.00 25.70 N -ATOM 199 CA ARG A 28 66.715 13.911 29.872 1.00 24.59 C -ATOM 200 C ARG A 28 68.023 14.310 30.550 1.00 25.29 C -ATOM 201 O ARG A 28 69.039 13.598 30.418 1.00 24.61 O -ATOM 202 CB ARG A 28 65.703 13.333 30.869 1.00 22.94 C -ATOM 203 CG ARG A 28 65.704 13.903 32.251 1.00 21.95 C -ATOM 204 CD ARG A 28 64.547 13.339 33.037 1.00 22.69 C -ATOM 205 NE ARG A 28 64.655 11.891 33.149 1.00 23.43 N -ATOM 206 CZ ARG A 28 65.354 11.261 34.094 1.00 25.30 C -ATOM 207 NH1 ARG A 28 66.010 11.954 35.024 1.00 23.59 N -ATOM 208 NH2 ARG A 28 65.405 9.927 34.101 1.00 25.43 N -ATOM 209 N ALA A 29 67.998 15.479 31.197 1.00 24.08 N -ATOM 210 CA ALA A 29 69.130 16.050 31.904 1.00 22.52 C -ATOM 211 C ALA A 29 68.695 16.284 33.326 1.00 22.90 C -ATOM 212 O ALA A 29 67.579 16.712 33.570 1.00 25.45 O -ATOM 213 CB ALA A 29 69.499 17.370 31.281 1.00 22.58 C -ATOM 214 N GLU A 30 69.561 16.006 34.278 1.00 22.86 N -ATOM 215 CA GLU A 30 69.221 16.226 35.673 1.00 21.56 C -ATOM 216 C GLU A 30 70.471 16.611 36.441 1.00 20.13 C -ATOM 217 O GLU A 30 71.563 16.104 36.169 1.00 20.50 O -ATOM 218 CB GLU A 30 68.578 14.977 36.280 1.00 23.78 C -ATOM 219 CG GLU A 30 69.339 13.684 36.038 1.00 26.26 C -ATOM 220 CD GLU A 30 68.968 12.610 37.039 1.00 27.37 C -ATOM 221 OE1 GLU A 30 67.856 12.050 36.930 1.00 28.22 O -ATOM 222 OE2 GLU A 30 69.786 12.339 37.946 1.00 28.01 O -ATOM 223 N ALA A 31 70.325 17.540 37.370 1.00 17.77 N -ATOM 224 CA ALA A 31 71.468 17.974 38.151 1.00 17.33 C -ATOM 225 C ALA A 31 72.205 16.805 38.793 1.00 16.15 C -ATOM 226 O ALA A 31 71.605 15.806 39.122 1.00 16.80 O -ATOM 227 CB ALA A 31 71.027 18.946 39.209 1.00 16.48 C -ATOM 228 N ALA A 32 73.519 16.928 38.904 1.00 15.93 N -ATOM 229 CA ALA A 32 74.367 15.927 39.528 1.00 14.39 C -ATOM 230 C ALA A 32 74.911 16.629 40.767 1.00 13.10 C -ATOM 231 O ALA A 32 74.755 17.834 40.893 1.00 12.71 O -ATOM 232 CB ALA A 32 75.496 15.545 38.596 1.00 14.67 C -ATOM 233 N GLN A 33 75.510 15.900 41.701 1.00 13.31 N -ATOM 234 CA GLN A 33 76.040 16.547 42.894 1.00 13.40 C -ATOM 235 C GLN A 33 77.446 17.115 42.644 1.00 14.79 C -ATOM 236 O GLN A 33 78.435 16.646 43.216 1.00 16.50 O -ATOM 237 CB GLN A 33 76.054 15.594 44.088 1.00 12.32 C -ATOM 238 CG GLN A 33 74.691 15.079 44.522 1.00 13.95 C -ATOM 239 CD GLN A 33 73.664 16.186 44.741 1.00 15.02 C -ATOM 240 OE1 GLN A 33 73.928 17.157 45.450 1.00 12.94 O -ATOM 241 NE2 GLN A 33 72.480 16.038 44.124 1.00 12.69 N -ATOM 242 N GLY A 34 77.529 18.089 41.746 1.00 14.99 N -ATOM 243 CA GLY A 34 78.791 18.729 41.452 1.00 15.83 C -ATOM 244 C GLY A 34 79.191 19.597 42.646 1.00 18.04 C -ATOM 245 O GLY A 34 78.383 19.821 43.561 1.00 18.01 O -ATOM 246 N LYS A 35 80.400 20.156 42.586 1.00 17.09 N -ATOM 247 CA LYS A 35 80.960 20.968 43.650 1.00 16.62 C -ATOM 248 C LYS A 35 80.288 22.328 43.782 1.00 17.22 C -ATOM 249 O LYS A 35 80.038 22.795 44.890 1.00 17.76 O -ATOM 250 CB LYS A 35 82.476 21.107 43.418 1.00 17.15 C -ATOM 251 CG LYS A 35 83.247 22.003 44.380 1.00 14.86 C -ATOM 252 CD LYS A 35 83.118 21.528 45.779 1.00 14.22 C -ATOM 253 CE LYS A 35 84.001 22.310 46.707 1.00 15.92 C -ATOM 254 NZ LYS A 35 85.272 21.582 46.986 1.00 20.82 N -ATOM 255 N THR A 36 79.971 22.948 42.651 1.00 17.56 N -ATOM 256 CA THR A 36 79.333 24.264 42.653 1.00 16.86 C -ATOM 257 C THR A 36 77.816 24.218 42.796 1.00 17.27 C -ATOM 258 O THR A 36 77.241 24.885 43.656 1.00 17.88 O -ATOM 259 CB THR A 36 79.633 25.048 41.361 1.00 14.42 C -ATOM 260 OG1 THR A 36 79.196 24.288 40.232 1.00 13.09 O -ATOM 261 CG2 THR A 36 81.104 25.308 41.236 1.00 14.28 C -ATOM 262 N ASN A 37 77.179 23.432 41.939 1.00 17.64 N -ATOM 263 CA ASN A 37 75.726 23.327 41.901 1.00 17.40 C -ATOM 264 C ASN A 37 75.061 22.392 42.882 1.00 16.75 C -ATOM 265 O ASN A 37 73.877 22.550 43.135 1.00 17.67 O -ATOM 266 CB ASN A 37 75.266 22.923 40.506 1.00 17.55 C -ATOM 267 CG ASN A 37 75.624 21.514 40.193 1.00 16.61 C -ATOM 268 OD1 ASN A 37 76.700 21.061 40.569 1.00 17.72 O -ATOM 269 ND2 ASN A 37 74.727 20.791 39.542 1.00 17.21 N -ATOM 270 N GLN A 38 75.742 21.328 43.286 1.00 15.92 N -ATOM 271 CA GLN A 38 75.163 20.397 44.245 1.00 15.60 C -ATOM 272 C GLN A 38 73.682 20.066 44.033 1.00 15.30 C -ATOM 273 O GLN A 38 72.819 20.510 44.792 1.00 14.38 O -ATOM 274 CB GLN A 38 75.341 20.926 45.650 1.00 16.29 C -ATOM 275 CG GLN A 38 76.746 20.819 46.168 1.00 24.24 C -ATOM 276 CD GLN A 38 76.917 21.586 47.464 1.00 29.20 C -ATOM 277 OE1 GLN A 38 76.454 21.142 48.534 1.00 33.05 O -ATOM 278 NE2 GLN A 38 77.545 22.768 47.381 1.00 28.18 N -ATOM 279 N GLY A 39 73.380 19.354 42.956 1.00 14.46 N -ATOM 280 CA GLY A 39 72.007 18.966 42.723 1.00 13.89 C -ATOM 281 C GLY A 39 71.076 19.991 42.115 1.00 13.33 C -ATOM 282 O GLY A 39 69.898 19.705 41.897 1.00 12.93 O -ATOM 283 N THR A 40 71.566 21.186 41.834 1.00 13.08 N -ATOM 284 CA THR A 40 70.697 22.154 41.209 1.00 10.91 C -ATOM 285 C THR A 40 71.202 22.519 39.832 1.00 10.46 C -ATOM 286 O THR A 40 72.355 22.296 39.504 1.00 9.46 O -ATOM 287 CB THR A 40 70.602 23.414 42.016 1.00 10.09 C -ATOM 288 OG1 THR A 40 71.827 24.150 41.905 1.00 11.23 O -ATOM 289 CG2 THR A 40 70.330 23.082 43.436 1.00 8.32 C -ATOM 290 N LEU A 41 70.310 23.092 39.041 1.00 11.29 N -ATOM 291 CA LEU A 41 70.588 23.558 37.693 1.00 12.10 C -ATOM 292 C LEU A 41 69.552 24.641 37.450 1.00 11.96 C -ATOM 293 O LEU A 41 68.568 24.759 38.191 1.00 11.19 O -ATOM 294 CB LEU A 41 70.367 22.452 36.663 1.00 11.55 C -ATOM 295 CG LEU A 41 71.291 21.243 36.576 1.00 12.62 C -ATOM 296 CD1 LEU A 41 70.675 20.239 35.615 1.00 10.19 C -ATOM 297 CD2 LEU A 41 72.693 21.657 36.114 1.00 12.93 C -ATOM 298 N CYS A 42 69.757 25.414 36.396 1.00 12.27 N -ATOM 299 CA CYS A 42 68.810 26.452 36.047 1.00 13.24 C -ATOM 300 C CYS A 42 68.144 25.974 34.771 1.00 13.08 C -ATOM 301 O CYS A 42 68.565 24.975 34.203 1.00 14.16 O -ATOM 302 CB CYS A 42 69.528 27.781 35.828 1.00 12.84 C -ATOM 303 SG CYS A 42 70.439 27.856 34.274 1.00 15.29 S -ATOM 304 N LEU A 43 67.103 26.674 34.343 1.00 14.36 N -ATOM 305 CA LEU A 43 66.343 26.350 33.134 1.00 15.67 C -ATOM 306 C LEU A 43 67.197 25.872 31.956 1.00 15.88 C -ATOM 307 O LEU A 43 66.896 24.856 31.354 1.00 16.88 O -ATOM 308 CB LEU A 43 65.541 27.578 32.688 1.00 17.89 C -ATOM 309 CG LEU A 43 64.199 27.435 31.955 1.00 18.38 C -ATOM 310 CD1 LEU A 43 63.104 27.263 32.970 1.00 15.49 C -ATOM 311 CD2 LEU A 43 63.941 28.697 31.124 1.00 17.35 C -ATOM 312 N LYS A 44 68.261 26.591 31.626 1.00 17.06 N -ATOM 313 CA LYS A 44 69.124 26.199 30.503 1.00 17.96 C -ATOM 314 C LYS A 44 69.827 24.856 30.698 1.00 18.35 C -ATOM 315 O LYS A 44 69.846 24.021 29.801 1.00 19.59 O -ATOM 316 CB LYS A 44 70.167 27.282 30.224 1.00 18.72 C -ATOM 317 CG LYS A 44 69.623 28.569 29.616 1.00 19.97 C -ATOM 318 CD LYS A 44 70.686 29.636 29.613 1.00 19.74 C -ATOM 319 CE LYS A 44 71.226 29.781 31.015 1.00 20.56 C -ATOM 320 NZ LYS A 44 72.208 30.870 31.121 1.00 22.37 N -ATOM 321 N GLY A 45 70.432 24.651 31.859 1.00 18.84 N -ATOM 322 CA GLY A 45 71.110 23.395 32.088 1.00 18.22 C -ATOM 323 C GLY A 45 70.110 22.272 31.946 1.00 18.95 C -ATOM 324 O GLY A 45 70.395 21.276 31.286 1.00 19.14 O -ATOM 325 N TYR A 46 68.912 22.488 32.494 1.00 19.15 N -ATOM 326 CA TYR A 46 67.804 21.519 32.497 1.00 19.11 C -ATOM 327 C TYR A 46 67.153 21.269 31.149 1.00 18.38 C -ATOM 328 O TYR A 46 66.897 20.132 30.790 1.00 19.29 O -ATOM 329 CB TYR A 46 66.711 22.004 33.456 1.00 20.77 C -ATOM 330 CG TYR A 46 65.889 20.920 34.139 1.00 23.55 C -ATOM 331 CD1 TYR A 46 64.733 20.380 33.530 1.00 24.59 C -ATOM 332 CD2 TYR A 46 66.231 20.479 35.430 1.00 23.89 C -ATOM 333 CE1 TYR A 46 63.930 19.423 34.199 1.00 25.08 C -ATOM 334 CE2 TYR A 46 65.452 19.538 36.104 1.00 25.62 C -ATOM 335 CZ TYR A 46 64.298 19.012 35.494 1.00 26.61 C -ATOM 336 OH TYR A 46 63.523 18.110 36.207 1.00 24.75 O -ATOM 337 N TYR A 47 66.878 22.335 30.410 1.00 18.17 N -ATOM 338 CA TYR A 47 66.198 22.243 29.122 1.00 17.80 C -ATOM 339 C TYR A 47 67.057 22.414 27.863 1.00 19.12 C -ATOM 340 O TYR A 47 66.672 21.965 26.775 1.00 21.30 O -ATOM 341 CB TYR A 47 65.084 23.292 29.071 1.00 16.49 C -ATOM 342 CG TYR A 47 63.902 23.024 29.970 1.00 15.44 C -ATOM 343 CD1 TYR A 47 63.071 21.940 29.735 1.00 14.23 C -ATOM 344 CD2 TYR A 47 63.579 23.882 31.021 1.00 15.04 C -ATOM 345 CE1 TYR A 47 61.955 21.708 30.496 1.00 12.46 C -ATOM 346 CE2 TYR A 47 62.449 23.651 31.797 1.00 14.57 C -ATOM 347 CZ TYR A 47 61.641 22.555 31.517 1.00 13.18 C -ATOM 348 OH TYR A 47 60.493 22.301 32.227 1.00 13.02 O -ATOM 349 N GLY A 48 68.201 23.067 27.986 1.00 18.07 N -ATOM 350 CA GLY A 48 69.019 23.300 26.814 1.00 18.70 C -ATOM 351 C GLY A 48 69.928 22.223 26.245 1.00 19.78 C -ATOM 352 O GLY A 48 71.067 22.543 25.937 1.00 21.42 O -ATOM 353 N TRP A 49 69.464 20.983 26.057 1.00 20.09 N -ATOM 354 CA TRP A 49 70.319 19.910 25.489 1.00 17.78 C -ATOM 355 C TRP A 49 69.773 19.249 24.222 1.00 17.20 C -ATOM 356 O TRP A 49 70.481 18.508 23.536 1.00 15.05 O -ATOM 357 CB TRP A 49 70.591 18.811 26.517 1.00 16.15 C -ATOM 358 CG TRP A 49 69.350 18.222 27.114 1.00 16.64 C -ATOM 359 CD1 TRP A 49 68.805 18.548 28.311 1.00 16.31 C -ATOM 360 CD2 TRP A 49 68.462 17.257 26.520 1.00 15.36 C -ATOM 361 NE1 TRP A 49 67.631 17.874 28.499 1.00 16.38 N -ATOM 362 CE2 TRP A 49 67.394 17.069 27.419 1.00 14.49 C -ATOM 363 CE3 TRP A 49 68.465 16.543 25.312 1.00 15.74 C -ATOM 364 CZ2 TRP A 49 66.331 16.201 27.158 1.00 13.13 C -ATOM 365 CZ3 TRP A 49 67.408 15.680 25.040 1.00 15.65 C -ATOM 366 CH2 TRP A 49 66.349 15.517 25.968 1.00 15.62 C -ATOM 367 N ASP A 50 68.519 19.502 23.888 1.00 18.13 N -ATOM 368 CA ASP A 50 67.986 18.842 22.710 1.00 19.49 C -ATOM 369 C ASP A 50 68.447 19.433 21.384 1.00 19.59 C -ATOM 370 O ASP A 50 67.909 19.083 20.345 1.00 20.99 O -ATOM 371 CB ASP A 50 66.460 18.695 22.791 1.00 19.41 C -ATOM 372 CG ASP A 50 65.748 20.002 22.679 1.00 21.12 C -ATOM 373 OD1 ASP A 50 66.222 20.950 23.333 1.00 23.69 O -ATOM 374 OD2 ASP A 50 64.721 20.090 21.946 1.00 22.79 O -ATOM 375 N PHE A 51 69.466 20.300 21.418 1.00 19.87 N -ATOM 376 CA PHE A 51 70.019 20.919 20.191 1.00 17.00 C -ATOM 377 C PHE A 51 70.992 19.939 19.524 1.00 16.51 C -ATOM 378 O PHE A 51 71.439 20.169 18.413 1.00 14.74 O -ATOM 379 CB PHE A 51 70.765 22.213 20.522 1.00 14.82 C -ATOM 380 CG PHE A 51 71.947 22.004 21.419 1.00 12.30 C -ATOM 381 CD1 PHE A 51 73.153 21.529 20.903 1.00 12.17 C -ATOM 382 CD2 PHE A 51 71.830 22.193 22.786 1.00 11.26 C -ATOM 383 CE1 PHE A 51 74.212 21.235 21.720 1.00 10.43 C -ATOM 384 CE2 PHE A 51 72.889 21.900 23.626 1.00 12.56 C -ATOM 385 CZ PHE A 51 74.084 21.415 23.089 1.00 12.89 C -ATOM 386 N ILE A 52 71.397 18.912 20.269 1.00 17.09 N -ATOM 387 CA ILE A 52 72.295 17.874 19.757 1.00 18.28 C -ATOM 388 C ILE A 52 71.536 17.090 18.694 1.00 18.18 C -ATOM 389 O ILE A 52 72.127 16.622 17.719 1.00 18.15 O -ATOM 390 CB ILE A 52 72.701 16.841 20.872 1.00 18.25 C -ATOM 391 CG1 ILE A 52 73.443 17.525 22.007 1.00 18.27 C -ATOM 392 CG2 ILE A 52 73.607 15.765 20.314 1.00 18.30 C -ATOM 393 CD1 ILE A 52 73.808 16.582 23.095 1.00 17.03 C -ATOM 394 N ASN A 53 70.219 16.993 18.880 1.00 17.97 N -ATOM 395 CA ASN A 53 69.355 16.241 17.974 1.00 18.57 C -ATOM 396 C ASN A 53 68.846 16.883 16.676 1.00 17.29 C -ATOM 397 O ASN A 53 67.931 16.360 16.035 1.00 16.67 O -ATOM 398 CB ASN A 53 68.228 15.588 18.764 1.00 20.13 C -ATOM 399 CG ASN A 53 68.745 14.524 19.702 1.00 22.32 C -ATOM 400 OD1 ASN A 53 69.364 13.549 19.263 1.00 24.72 O -ATOM 401 ND2 ASN A 53 68.540 14.717 21.003 1.00 23.82 N -ATOM 402 N ASP A 54 69.421 18.022 16.310 1.00 16.20 N -ATOM 403 CA ASP A 54 69.095 18.691 15.056 1.00 16.01 C -ATOM 404 C ASP A 54 67.616 19.047 14.920 1.00 16.17 C -ATOM 405 O ASP A 54 66.955 18.718 13.929 1.00 16.01 O -ATOM 406 CB ASP A 54 69.574 17.809 13.884 1.00 16.63 C -ATOM 407 CG ASP A 54 69.627 18.545 12.548 1.00 17.90 C -ATOM 408 OD1 ASP A 54 69.579 19.789 12.539 1.00 20.97 O -ATOM 409 OD2 ASP A 54 69.725 17.865 11.500 1.00 16.12 O -ATOM 410 N THR A 55 67.101 19.763 15.906 1.00 15.16 N -ATOM 411 CA THR A 55 65.710 20.183 15.862 1.00 13.19 C -ATOM 412 C THR A 55 65.426 21.000 14.592 1.00 13.97 C -ATOM 413 O THR A 55 64.381 20.851 13.958 1.00 15.32 O -ATOM 414 CB THR A 55 65.375 21.027 17.074 1.00 10.58 C -ATOM 415 OG1 THR A 55 65.915 22.339 16.890 1.00 10.48 O -ATOM 416 CG2 THR A 55 65.976 20.393 18.324 1.00 7.29 C -ATOM 417 N GLN A 56 66.371 21.860 14.226 1.00 14.03 N -ATOM 418 CA GLN A 56 66.249 22.710 13.048 1.00 14.53 C -ATOM 419 C GLN A 56 65.264 23.847 13.289 1.00 15.09 C -ATOM 420 O GLN A 56 64.812 24.523 12.353 1.00 15.71 O -ATOM 421 CB GLN A 56 65.845 21.894 11.823 1.00 14.93 C -ATOM 422 CG GLN A 56 66.844 20.803 11.493 1.00 17.31 C -ATOM 423 CD GLN A 56 66.837 20.397 10.040 1.00 18.10 C -ATOM 424 OE1 GLN A 56 66.170 21.004 9.207 1.00 19.26 O -ATOM 425 NE2 GLN A 56 67.614 19.382 9.720 1.00 19.36 N -ATOM 426 N ILE A 57 64.983 24.090 14.564 1.00 13.62 N -ATOM 427 CA ILE A 57 64.075 25.138 14.960 1.00 12.14 C -ATOM 428 C ILE A 57 64.621 26.441 14.446 1.00 13.23 C -ATOM 429 O ILE A 57 63.899 27.155 13.758 1.00 14.08 O -ATOM 430 CB ILE A 57 63.915 25.177 16.490 1.00 12.75 C -ATOM 431 CG1 ILE A 57 63.059 23.983 16.967 1.00 12.62 C -ATOM 432 CG2 ILE A 57 63.323 26.484 16.924 1.00 11.13 C -ATOM 433 CD1 ILE A 57 62.983 23.817 18.481 1.00 12.45 C -ATOM 434 N LEU A 58 65.918 26.680 14.706 1.00 14.04 N -ATOM 435 CA LEU A 58 66.657 27.896 14.310 1.00 12.42 C -ATOM 436 C LEU A 58 67.629 27.654 13.158 1.00 13.97 C -ATOM 437 O LEU A 58 67.676 28.437 12.203 1.00 14.80 O -ATOM 438 CB LEU A 58 67.449 28.454 15.502 1.00 11.00 C -ATOM 439 CG LEU A 58 68.055 29.862 15.383 1.00 10.24 C -ATOM 440 CD1 LEU A 58 66.942 30.900 15.433 1.00 9.88 C -ATOM 441 CD2 LEU A 58 69.077 30.149 16.473 1.00 7.24 C -ATOM 442 N THR A 59 68.489 26.642 13.291 1.00 16.15 N -ATOM 443 CA THR A 59 69.459 26.309 12.232 1.00 15.87 C -ATOM 444 C THR A 59 69.738 24.845 12.186 1.00 16.90 C -ATOM 445 O THR A 59 69.868 24.199 13.230 1.00 18.25 O -ATOM 446 CB THR A 59 70.858 26.880 12.420 1.00 15.28 C -ATOM 447 OG1 THR A 59 70.874 27.896 13.420 1.00 17.97 O -ATOM 448 CG2 THR A 59 71.336 27.427 11.114 1.00 15.90 C -ATOM 449 N PRO A 60 69.862 24.289 10.976 1.00 17.19 N -ATOM 450 CA PRO A 60 70.143 22.865 10.944 1.00 17.46 C -ATOM 451 C PRO A 60 71.592 22.680 11.308 1.00 16.89 C -ATOM 452 O PRO A 60 72.431 23.522 11.005 1.00 16.81 O -ATOM 453 CB PRO A 60 69.863 22.497 9.485 1.00 17.82 C -ATOM 454 CG PRO A 60 70.180 23.711 8.772 1.00 17.11 C -ATOM 455 CD PRO A 60 69.583 24.787 9.621 1.00 17.57 C -ATOM 456 N ARG A 61 71.846 21.605 12.034 1.00 16.81 N -ATOM 457 CA ARG A 61 73.174 21.227 12.467 1.00 15.23 C -ATOM 458 C ARG A 61 74.045 20.903 11.233 1.00 15.05 C -ATOM 459 O ARG A 61 73.542 20.448 10.207 1.00 13.96 O -ATOM 460 CB ARG A 61 73.048 19.990 13.357 1.00 12.40 C -ATOM 461 CG ARG A 61 74.260 19.742 14.169 1.00 13.33 C -ATOM 462 CD ARG A 61 74.123 20.188 15.596 1.00 11.55 C -ATOM 463 NE ARG A 61 74.047 19.010 16.434 1.00 11.52 N -ATOM 464 CZ ARG A 61 75.065 18.178 16.625 1.00 14.52 C -ATOM 465 NH1 ARG A 61 76.246 18.404 16.056 1.00 15.03 N -ATOM 466 NH2 ARG A 61 74.881 17.060 17.313 1.00 16.68 N -ATOM 467 N LEU A 62 75.343 21.176 11.336 1.00 16.10 N -ATOM 468 CA LEU A 62 76.300 20.897 10.261 1.00 16.97 C -ATOM 469 C LEU A 62 76.535 19.367 10.080 1.00 18.19 C -ATOM 470 O LEU A 62 77.043 18.682 10.986 1.00 17.35 O -ATOM 471 CB LEU A 62 77.615 21.637 10.543 1.00 15.13 C -ATOM 472 CG LEU A 62 77.479 23.155 10.388 1.00 14.09 C -ATOM 473 CD1 LEU A 62 78.702 23.897 10.904 1.00 11.94 C -ATOM 474 CD2 LEU A 62 77.228 23.461 8.924 1.00 13.82 C -ATOM 475 N LYS A 63 76.151 18.864 8.901 1.00 18.91 N -ATOM 476 CA LYS A 63 76.240 17.452 8.536 1.00 19.56 C -ATOM 477 C LYS A 63 77.392 17.089 7.599 1.00 21.08 C -ATOM 478 O LYS A 63 77.954 15.993 7.718 1.00 22.90 O -ATOM 479 CB LYS A 63 74.927 16.990 7.899 1.00 20.19 C -ATOM 480 CG LYS A 63 73.662 17.219 8.748 1.00 22.71 C -ATOM 481 CD LYS A 63 72.380 17.171 7.878 1.00 22.48 C -ATOM 482 CE LYS A 63 71.079 17.480 8.672 1.00 22.09 C -ATOM 483 NZ LYS A 63 70.941 18.884 9.210 1.00 20.81 N -ATOM 484 N THR A 64 77.720 17.941 6.627 1.00 20.75 N -ATOM 485 CA THR A 64 78.823 17.604 5.726 1.00 20.62 C -ATOM 486 C THR A 64 79.801 18.734 5.595 1.00 22.06 C -ATOM 487 O THR A 64 79.440 19.887 5.821 1.00 23.52 O -ATOM 488 CB THR A 64 78.377 17.275 4.279 1.00 19.80 C -ATOM 489 OG1 THR A 64 78.248 18.479 3.515 1.00 17.35 O -ATOM 490 CG2 THR A 64 77.072 16.516 4.263 1.00 22.36 C -ATOM 491 N PRO A 65 81.069 18.421 5.251 1.00 22.50 N -ATOM 492 CA PRO A 65 82.057 19.484 5.093 1.00 21.75 C -ATOM 493 C PRO A 65 81.612 20.167 3.805 1.00 20.83 C -ATOM 494 O PRO A 65 80.933 19.538 2.994 1.00 20.60 O -ATOM 495 CB PRO A 65 83.360 18.707 4.884 1.00 21.76 C -ATOM 496 CG PRO A 65 83.103 17.387 5.513 1.00 22.79 C -ATOM 497 CD PRO A 65 81.705 17.107 5.060 1.00 22.19 C -ATOM 498 N MET A 66 81.924 21.447 3.637 1.00 19.77 N -ATOM 499 CA MET A 66 81.518 22.157 2.436 1.00 18.47 C -ATOM 500 C MET A 66 82.615 23.081 1.954 1.00 19.94 C -ATOM 501 O MET A 66 83.499 23.462 2.726 1.00 20.32 O -ATOM 502 CB MET A 66 80.262 22.969 2.699 1.00 15.21 C -ATOM 503 CG MET A 66 79.123 22.170 3.225 1.00 13.32 C -ATOM 504 SD MET A 66 77.601 23.105 3.193 1.00 17.14 S -ATOM 505 CE MET A 66 77.046 22.813 4.861 1.00 17.19 C -ATOM 506 N ILE A 67 82.566 23.426 0.674 1.00 20.92 N -ATOM 507 CA ILE A 67 83.542 24.325 0.075 1.00 22.75 C -ATOM 508 C ILE A 67 82.807 25.263 -0.880 1.00 24.98 C -ATOM 509 O ILE A 67 81.846 24.858 -1.553 1.00 23.89 O -ATOM 510 CB ILE A 67 84.665 23.528 -0.701 1.00 21.73 C -ATOM 511 CG1 ILE A 67 85.613 22.838 0.284 1.00 22.32 C -ATOM 512 CG2 ILE A 67 85.466 24.444 -1.621 1.00 18.10 C -ATOM 513 CD1 ILE A 67 86.623 21.897 -0.367 1.00 21.62 C -ATOM 514 N ARG A 68 83.217 26.526 -0.896 1.00 27.72 N -ATOM 515 CA ARG A 68 82.625 27.500 -1.800 1.00 31.69 C -ATOM 516 C ARG A 68 83.746 27.872 -2.772 1.00 35.16 C -ATOM 517 O ARG A 68 84.558 28.753 -2.479 1.00 37.45 O -ATOM 518 CB ARG A 68 82.155 28.739 -1.048 1.00 28.80 C -ATOM 519 CG ARG A 68 81.121 29.504 -1.854 1.00 29.04 C -ATOM 520 CD ARG A 68 80.937 30.941 -1.411 1.00 25.72 C -ATOM 521 NE ARG A 68 80.789 31.028 0.034 1.00 24.29 N -ATOM 522 CZ ARG A 68 79.643 30.872 0.681 1.00 23.19 C -ATOM 523 NH1 ARG A 68 78.522 30.616 0.016 1.00 23.94 N -ATOM 524 NH2 ARG A 68 79.619 31.008 1.994 1.00 22.30 N -ATOM 525 N ARG A 69 83.814 27.180 -3.909 1.00 38.09 N -ATOM 526 CA ARG A 69 84.871 27.416 -4.900 1.00 40.20 C -ATOM 527 C ARG A 69 84.841 28.747 -5.648 1.00 41.56 C -ATOM 528 O ARG A 69 85.853 29.169 -6.211 1.00 42.49 O -ATOM 529 CB ARG A 69 84.950 26.253 -5.894 1.00 40.89 C -ATOM 530 CG ARG A 69 85.540 24.979 -5.311 1.00 42.09 C -ATOM 531 CD ARG A 69 85.705 23.904 -6.381 1.00 43.51 C -ATOM 532 NE ARG A 69 86.248 22.653 -5.849 1.00 44.18 N -ATOM 533 CZ ARG A 69 87.502 22.491 -5.426 1.00 44.60 C -ATOM 534 NH1 ARG A 69 88.367 23.495 -5.462 1.00 43.65 N -ATOM 535 NH2 ARG A 69 87.898 21.308 -4.975 1.00 46.14 N -ATOM 536 N GLN A 70 83.689 29.403 -5.673 1.00 42.99 N -ATOM 537 CA GLN A 70 83.574 30.695 -6.344 1.00 44.57 C -ATOM 538 C GLN A 70 83.028 31.704 -5.330 1.00 45.42 C -ATOM 539 O GLN A 70 82.015 31.451 -4.669 1.00 46.65 O -ATOM 540 CB GLN A 70 82.617 30.589 -7.538 1.00 45.60 C -ATOM 541 CG GLN A 70 82.490 31.882 -8.350 1.00 47.50 C -ATOM 542 CD GLN A 70 81.197 31.957 -9.169 1.00 48.45 C -ATOM 543 OE1 GLN A 70 80.159 32.402 -8.670 1.00 48.64 O -ATOM 544 NE2 GLN A 70 81.267 31.551 -10.435 1.00 48.14 N -ATOM 545 N ARG A 71 83.679 32.850 -5.192 1.00 45.07 N -ATOM 546 CA ARG A 71 83.200 33.853 -4.258 1.00 45.37 C -ATOM 547 C ARG A 71 81.762 34.269 -4.591 1.00 46.45 C -ATOM 548 O ARG A 71 81.004 34.681 -3.708 1.00 46.99 O -ATOM 549 CB ARG A 71 84.121 35.073 -4.236 1.00 44.92 C -ATOM 550 CG ARG A 71 85.343 34.921 -3.326 1.00 43.34 C -ATOM 551 CD ARG A 71 84.957 34.902 -1.857 1.00 40.33 C -ATOM 552 NE ARG A 71 86.095 34.625 -0.982 1.00 37.34 N -ATOM 553 CZ ARG A 71 86.272 35.187 0.209 1.00 35.90 C -ATOM 554 NH1 ARG A 71 85.403 36.059 0.678 1.00 35.35 N -ATOM 555 NH2 ARG A 71 87.294 34.832 0.957 1.00 36.16 N -ATOM 556 N GLY A 72 81.393 34.134 -5.865 1.00 46.51 N -ATOM 557 CA GLY A 72 80.050 34.482 -6.296 1.00 46.64 C -ATOM 558 C GLY A 72 78.978 33.734 -5.513 1.00 47.16 C -ATOM 559 O GLY A 72 77.791 34.061 -5.593 1.00 47.54 O -ATOM 560 N GLY A 73 79.397 32.681 -4.811 1.00 46.82 N -ATOM 561 CA GLY A 73 78.456 31.932 -4.002 1.00 45.82 C -ATOM 562 C GLY A 73 78.377 30.452 -4.290 1.00 44.29 C -ATOM 563 O GLY A 73 79.042 29.942 -5.201 1.00 43.88 O -ATOM 564 N LYS A 74 77.534 29.793 -3.494 1.00 42.70 N -ATOM 565 CA LYS A 74 77.253 28.359 -3.543 1.00 41.71 C -ATOM 566 C LYS A 74 78.214 27.501 -2.702 1.00 39.73 C -ATOM 567 O LYS A 74 79.307 27.115 -3.124 1.00 39.36 O -ATOM 568 CB LYS A 74 77.151 27.837 -4.983 1.00 43.62 C -ATOM 569 CG LYS A 74 76.457 26.483 -5.098 1.00 45.67 C -ATOM 570 CD LYS A 74 77.129 25.614 -6.149 1.00 48.76 C -ATOM 571 CE LYS A 74 77.071 26.242 -7.537 1.00 51.74 C -ATOM 572 NZ LYS A 74 75.669 26.336 -8.097 1.00 54.68 N -ATOM 573 N LEU A 75 77.763 27.202 -1.494 1.00 37.19 N -ATOM 574 CA LEU A 75 78.505 26.393 -0.548 1.00 34.77 C -ATOM 575 C LEU A 75 78.007 24.941 -0.730 1.00 32.88 C -ATOM 576 O LEU A 75 77.001 24.546 -0.143 1.00 32.91 O -ATOM 577 CB LEU A 75 78.206 26.950 0.858 1.00 34.46 C -ATOM 578 CG LEU A 75 79.023 26.798 2.149 1.00 33.18 C -ATOM 579 CD1 LEU A 75 80.511 26.800 1.896 1.00 32.11 C -ATOM 580 CD2 LEU A 75 78.634 27.941 3.072 1.00 31.88 C -ATOM 581 N GLU A 76 78.672 24.190 -1.612 1.00 31.56 N -ATOM 582 CA GLU A 76 78.325 22.783 -1.910 1.00 29.62 C -ATOM 583 C GLU A 76 79.081 21.781 -1.059 1.00 25.97 C -ATOM 584 O GLU A 76 80.261 21.949 -0.789 1.00 25.72 O -ATOM 585 CB GLU A 76 78.594 22.436 -3.387 1.00 31.66 C -ATOM 586 CG GLU A 76 77.503 22.877 -4.378 1.00 35.77 C -ATOM 587 CD GLU A 76 76.223 22.013 -4.322 1.00 38.08 C -ATOM 588 OE1 GLU A 76 76.297 20.778 -4.557 1.00 39.47 O -ATOM 589 OE2 GLU A 76 75.138 22.581 -4.069 1.00 37.96 O -ATOM 590 N PRO A 77 78.404 20.717 -0.625 1.00 23.90 N -ATOM 591 CA PRO A 77 78.998 19.664 0.200 1.00 21.70 C -ATOM 592 C PRO A 77 80.189 19.040 -0.484 1.00 20.84 C -ATOM 593 O PRO A 77 80.256 18.956 -1.709 1.00 23.02 O -ATOM 594 CB PRO A 77 77.863 18.676 0.366 1.00 20.67 C -ATOM 595 CG PRO A 77 76.982 18.954 -0.817 1.00 22.50 C -ATOM 596 CD PRO A 77 76.987 20.440 -0.867 1.00 22.85 C -ATOM 597 N VAL A 78 81.118 18.562 0.324 1.00 19.50 N -ATOM 598 CA VAL A 78 82.345 17.990 -0.168 1.00 15.46 C -ATOM 599 C VAL A 78 82.812 17.020 0.898 1.00 14.34 C -ATOM 600 O VAL A 78 82.499 17.198 2.069 1.00 13.52 O -ATOM 601 CB VAL A 78 83.341 19.132 -0.369 1.00 14.58 C -ATOM 602 CG1 VAL A 78 84.689 18.796 0.187 1.00 15.54 C -ATOM 603 CG2 VAL A 78 83.406 19.498 -1.822 1.00 14.16 C -ATOM 604 N SER A 79 83.545 15.991 0.488 1.00 14.76 N -ATOM 605 CA SER A 79 84.052 14.977 1.410 1.00 14.58 C -ATOM 606 C SER A 79 85.153 15.489 2.314 1.00 14.87 C -ATOM 607 O SER A 79 85.735 16.549 2.084 1.00 14.60 O -ATOM 608 CB SER A 79 84.604 13.799 0.626 1.00 15.79 C -ATOM 609 OG SER A 79 85.740 14.196 -0.126 1.00 18.32 O -ATOM 610 N TRP A 80 85.503 14.683 3.300 1.00 16.06 N -ATOM 611 CA TRP A 80 86.557 15.074 4.204 1.00 18.76 C -ATOM 612 C TRP A 80 87.877 15.218 3.481 1.00 19.73 C -ATOM 613 O TRP A 80 88.502 16.251 3.557 1.00 21.37 O -ATOM 614 CB TRP A 80 86.661 14.113 5.387 1.00 20.74 C -ATOM 615 CG TRP A 80 85.664 14.438 6.482 1.00 21.38 C -ATOM 616 CD1 TRP A 80 84.535 13.736 6.818 1.00 21.60 C -ATOM 617 CD2 TRP A 80 85.712 15.560 7.359 1.00 21.79 C -ATOM 618 NE1 TRP A 80 83.883 14.357 7.849 1.00 20.97 N -ATOM 619 CE2 TRP A 80 84.580 15.482 8.197 1.00 21.50 C -ATOM 620 CE3 TRP A 80 86.605 16.631 7.514 1.00 21.80 C -ATOM 621 CZ2 TRP A 80 84.319 16.424 9.176 1.00 22.89 C -ATOM 622 CZ3 TRP A 80 86.354 17.562 8.483 1.00 21.94 C -ATOM 623 CH2 TRP A 80 85.214 17.459 9.303 1.00 24.30 C -ATOM 624 N ASP A 81 88.255 14.235 2.687 1.00 22.63 N -ATOM 625 CA ASP A 81 89.519 14.321 1.963 1.00 22.85 C -ATOM 626 C ASP A 81 89.602 15.636 1.220 1.00 21.74 C -ATOM 627 O ASP A 81 90.547 16.391 1.409 1.00 22.47 O -ATOM 628 CB ASP A 81 89.658 13.172 0.958 1.00 25.76 C -ATOM 629 CG ASP A 81 91.100 12.942 0.531 1.00 29.56 C -ATOM 630 OD1 ASP A 81 91.808 12.218 1.267 1.00 32.61 O -ATOM 631 OD2 ASP A 81 91.529 13.477 -0.524 1.00 30.31 O -ATOM 632 N GLU A 82 88.577 15.943 0.432 1.00 21.59 N -ATOM 633 CA GLU A 82 88.579 17.173 -0.363 1.00 21.82 C -ATOM 634 C GLU A 82 88.650 18.426 0.467 1.00 21.21 C -ATOM 635 O GLU A 82 89.315 19.380 0.081 1.00 21.60 O -ATOM 636 CB GLU A 82 87.366 17.264 -1.291 1.00 22.24 C -ATOM 637 CG GLU A 82 87.441 18.477 -2.237 1.00 23.05 C -ATOM 638 CD GLU A 82 86.240 18.605 -3.167 1.00 23.60 C -ATOM 639 OE1 GLU A 82 85.534 17.596 -3.380 1.00 24.18 O -ATOM 640 OE2 GLU A 82 85.985 19.723 -3.672 1.00 23.61 O -ATOM 641 N ALA A 83 87.948 18.439 1.594 1.00 20.69 N -ATOM 642 CA ALA A 83 87.961 19.614 2.441 1.00 19.21 C -ATOM 643 C ALA A 83 89.315 19.705 3.124 1.00 17.99 C -ATOM 644 O ALA A 83 90.028 20.701 2.994 1.00 19.56 O -ATOM 645 CB ALA A 83 86.848 19.542 3.462 1.00 18.70 C -ATOM 646 N LEU A 84 89.717 18.618 3.758 1.00 15.43 N -ATOM 647 CA LEU A 84 90.968 18.583 4.489 1.00 13.78 C -ATOM 648 C LEU A 84 92.237 18.847 3.677 1.00 14.38 C -ATOM 649 O LEU A 84 93.192 19.409 4.200 1.00 15.12 O -ATOM 650 CB LEU A 84 91.047 17.309 5.333 1.00 9.83 C -ATOM 651 CG LEU A 84 89.988 17.244 6.446 1.00 4.61 C -ATOM 652 CD1 LEU A 84 89.983 15.883 7.037 1.00 5.06 C -ATOM 653 CD2 LEU A 84 90.214 18.279 7.513 1.00 2.73 C -ATOM 654 N ASN A 85 92.245 18.467 2.406 1.00 16.28 N -ATOM 655 CA ASN A 85 93.399 18.720 1.534 1.00 17.63 C -ATOM 656 C ASN A 85 93.325 20.179 1.067 1.00 16.61 C -ATOM 657 O ASN A 85 94.336 20.848 0.867 1.00 15.41 O -ATOM 658 CB ASN A 85 93.388 17.764 0.315 1.00 19.08 C -ATOM 659 CG ASN A 85 94.328 18.217 -0.820 1.00 20.67 C -ATOM 660 OD1 ASN A 85 93.888 18.627 -1.891 1.00 22.11 O -ATOM 661 ND2 ASN A 85 95.616 18.139 -0.581 1.00 24.67 N -ATOM 662 N TYR A 86 92.106 20.669 0.912 1.00 17.71 N -ATOM 663 CA TYR A 86 91.894 22.035 0.452 1.00 18.55 C -ATOM 664 C TYR A 86 92.435 23.007 1.481 1.00 18.11 C -ATOM 665 O TYR A 86 93.127 23.948 1.138 1.00 17.76 O -ATOM 666 CB TYR A 86 90.419 22.289 0.195 1.00 17.87 C -ATOM 667 CG TYR A 86 90.183 23.550 -0.562 1.00 20.13 C -ATOM 668 CD1 TYR A 86 90.116 24.767 0.096 1.00 22.86 C -ATOM 669 CD2 TYR A 86 90.007 23.532 -1.937 1.00 20.54 C -ATOM 670 CE1 TYR A 86 89.882 25.938 -0.597 1.00 24.63 C -ATOM 671 CE2 TYR A 86 89.765 24.688 -2.636 1.00 21.49 C -ATOM 672 CZ TYR A 86 89.707 25.892 -1.963 1.00 24.11 C -ATOM 673 OH TYR A 86 89.501 27.065 -2.644 1.00 26.09 O -ATOM 674 N VAL A 87 92.085 22.785 2.742 1.00 18.10 N -ATOM 675 CA VAL A 87 92.589 23.609 3.828 1.00 16.46 C -ATOM 676 C VAL A 87 94.115 23.434 3.919 1.00 16.21 C -ATOM 677 O VAL A 87 94.859 24.392 3.778 1.00 16.88 O -ATOM 678 CB VAL A 87 91.961 23.204 5.154 1.00 14.99 C -ATOM 679 CG1 VAL A 87 92.603 23.961 6.297 1.00 13.36 C -ATOM 680 CG2 VAL A 87 90.453 23.426 5.095 1.00 14.49 C -ATOM 681 N ALA A 88 94.579 22.203 4.074 1.00 15.68 N -ATOM 682 CA ALA A 88 96.012 21.938 4.185 1.00 16.57 C -ATOM 683 C ALA A 88 96.837 22.575 3.067 1.00 17.07 C -ATOM 684 O ALA A 88 97.895 23.151 3.313 1.00 15.86 O -ATOM 685 CB ALA A 88 96.263 20.435 4.254 1.00 16.34 C -ATOM 686 N GLU A 89 96.306 22.496 1.850 1.00 19.78 N -ATOM 687 CA GLU A 89 96.923 23.051 0.639 1.00 20.54 C -ATOM 688 C GLU A 89 96.941 24.585 0.746 1.00 18.80 C -ATOM 689 O GLU A 89 97.998 25.196 0.727 1.00 16.66 O -ATOM 690 CB GLU A 89 96.095 22.618 -0.597 1.00 23.73 C -ATOM 691 CG GLU A 89 96.878 22.389 -1.916 1.00 29.60 C -ATOM 692 CD GLU A 89 96.777 20.927 -2.410 1.00 33.52 C -ATOM 693 OE1 GLU A 89 95.745 20.583 -3.048 1.00 32.76 O -ATOM 694 OE2 GLU A 89 97.720 20.126 -2.143 1.00 33.37 O -ATOM 695 N ARG A 90 95.756 25.173 0.918 1.00 18.47 N -ATOM 696 CA ARG A 90 95.569 26.607 1.022 1.00 17.75 C -ATOM 697 C ARG A 90 96.420 27.258 2.084 1.00 18.04 C -ATOM 698 O ARG A 90 97.078 28.267 1.807 1.00 18.89 O -ATOM 699 CB ARG A 90 94.109 26.943 1.292 1.00 19.08 C -ATOM 700 CG ARG A 90 93.196 26.640 0.159 1.00 22.72 C -ATOM 701 CD ARG A 90 93.726 27.212 -1.118 1.00 26.58 C -ATOM 702 NE ARG A 90 92.869 26.878 -2.251 1.00 32.64 N -ATOM 703 CZ ARG A 90 92.747 25.658 -2.770 1.00 34.69 C -ATOM 704 NH1 ARG A 90 93.417 24.636 -2.252 1.00 36.91 N -ATOM 705 NH2 ARG A 90 92.016 25.475 -3.861 1.00 33.99 N -ATOM 706 N LEU A 91 96.359 26.726 3.306 1.00 17.01 N -ATOM 707 CA LEU A 91 97.139 27.257 4.420 1.00 14.91 C -ATOM 708 C LEU A 91 98.624 27.136 4.119 1.00 15.21 C -ATOM 709 O LEU A 91 99.357 28.112 4.265 1.00 15.92 O -ATOM 710 CB LEU A 91 96.822 26.539 5.735 1.00 11.61 C -ATOM 711 CG LEU A 91 95.444 26.677 6.388 1.00 8.89 C -ATOM 712 CD1 LEU A 91 95.521 25.961 7.716 1.00 7.72 C -ATOM 713 CD2 LEU A 91 95.030 28.131 6.597 1.00 5.23 C -ATOM 714 N SER A 92 99.066 25.964 3.661 1.00 15.78 N -ATOM 715 CA SER A 92 100.488 25.770 3.342 1.00 16.29 C -ATOM 716 C SER A 92 100.930 26.776 2.299 1.00 16.66 C -ATOM 717 O SER A 92 101.969 27.423 2.450 1.00 17.65 O -ATOM 718 CB SER A 92 100.770 24.356 2.823 1.00 14.74 C -ATOM 719 OG SER A 92 101.443 23.564 3.798 1.00 16.41 O -ATOM 720 N ALA A 93 100.117 26.911 1.260 1.00 16.76 N -ATOM 721 CA ALA A 93 100.368 27.824 0.164 1.00 17.35 C -ATOM 722 C ALA A 93 100.498 29.241 0.699 1.00 19.42 C -ATOM 723 O ALA A 93 101.514 29.899 0.479 1.00 21.20 O -ATOM 724 CB ALA A 93 99.239 27.740 -0.851 1.00 16.38 C -ATOM 725 N ILE A 94 99.490 29.706 1.427 1.00 20.59 N -ATOM 726 CA ILE A 94 99.522 31.047 1.989 1.00 21.36 C -ATOM 727 C ILE A 94 100.669 31.223 2.982 1.00 23.24 C -ATOM 728 O ILE A 94 101.274 32.291 3.063 1.00 26.13 O -ATOM 729 CB ILE A 94 98.185 31.395 2.650 1.00 19.84 C -ATOM 730 CG1 ILE A 94 97.156 31.681 1.561 1.00 22.43 C -ATOM 731 CG2 ILE A 94 98.325 32.598 3.530 1.00 21.42 C -ATOM 732 CD1 ILE A 94 95.726 31.822 2.045 1.00 22.96 C -ATOM 733 N LYS A 95 101.022 30.168 3.693 1.00 22.89 N -ATOM 734 CA LYS A 95 102.099 30.273 4.656 1.00 23.98 C -ATOM 735 C LYS A 95 103.434 30.503 3.966 1.00 26.05 C -ATOM 736 O LYS A 95 104.284 31.211 4.468 1.00 25.90 O -ATOM 737 CB LYS A 95 102.178 28.998 5.508 1.00 22.29 C -ATOM 738 CG LYS A 95 103.466 28.863 6.312 1.00 17.79 C -ATOM 739 CD LYS A 95 103.489 27.619 7.154 1.00 13.87 C -ATOM 740 CE LYS A 95 104.870 27.414 7.673 1.00 11.39 C -ATOM 741 NZ LYS A 95 104.918 26.319 8.659 1.00 13.24 N -ATOM 742 N GLU A 96 103.628 29.868 2.826 1.00 29.95 N -ATOM 743 CA GLU A 96 104.893 30.003 2.127 1.00 33.80 C -ATOM 744 C GLU A 96 104.979 31.372 1.501 1.00 33.61 C -ATOM 745 O GLU A 96 105.905 32.128 1.769 1.00 37.23 O -ATOM 746 CB GLU A 96 105.036 28.931 1.041 1.00 37.35 C -ATOM 747 CG GLU A 96 105.110 27.492 1.580 1.00 44.27 C -ATOM 748 CD GLU A 96 106.541 27.022 1.837 1.00 48.56 C -ATOM 749 OE1 GLU A 96 107.050 27.253 2.964 1.00 49.98 O -ATOM 750 OE2 GLU A 96 107.151 26.426 0.905 1.00 50.00 O -ATOM 751 N LYS A 97 103.959 31.725 0.738 1.00 30.92 N -ATOM 752 CA LYS A 97 103.955 32.987 0.040 1.00 28.36 C -ATOM 753 C LYS A 97 103.987 34.213 0.937 1.00 28.66 C -ATOM 754 O LYS A 97 104.618 35.213 0.577 1.00 31.22 O -ATOM 755 CB LYS A 97 102.765 33.031 -0.906 1.00 28.37 C -ATOM 756 CG LYS A 97 102.718 34.221 -1.817 1.00 29.48 C -ATOM 757 CD LYS A 97 101.734 33.980 -2.917 1.00 31.71 C -ATOM 758 CE LYS A 97 102.434 33.598 -4.230 1.00 35.24 C -ATOM 759 NZ LYS A 97 103.324 32.383 -4.235 1.00 34.45 N -ATOM 760 N TYR A 98 103.383 34.146 2.120 1.00 25.75 N -ATOM 761 CA TYR A 98 103.368 35.317 2.987 1.00 21.95 C -ATOM 762 C TYR A 98 103.856 35.165 4.438 1.00 19.62 C -ATOM 763 O TYR A 98 103.804 36.109 5.219 1.00 18.98 O -ATOM 764 CB TYR A 98 101.974 35.882 3.001 1.00 23.82 C -ATOM 765 CG TYR A 98 101.354 35.967 1.648 1.00 27.41 C -ATOM 766 CD1 TYR A 98 101.696 36.982 0.766 1.00 29.27 C -ATOM 767 CD2 TYR A 98 100.396 35.052 1.251 1.00 29.96 C -ATOM 768 CE1 TYR A 98 101.089 37.085 -0.486 1.00 31.07 C -ATOM 769 CE2 TYR A 98 99.783 35.141 0.002 1.00 31.73 C -ATOM 770 CZ TYR A 98 100.134 36.157 -0.857 1.00 31.78 C -ATOM 771 OH TYR A 98 99.534 36.230 -2.092 1.00 33.46 O -ATOM 772 N GLY A 99 104.341 33.987 4.791 1.00 17.24 N -ATOM 773 CA GLY A 99 104.815 33.769 6.146 1.00 15.44 C -ATOM 774 C GLY A 99 103.702 33.246 7.024 1.00 14.64 C -ATOM 775 O GLY A 99 102.528 33.530 6.762 1.00 15.03 O -ATOM 776 N PRO A 100 104.033 32.511 8.100 1.00 13.22 N -ATOM 777 CA PRO A 100 103.041 31.956 9.019 1.00 12.63 C -ATOM 778 C PRO A 100 102.042 32.930 9.630 1.00 11.52 C -ATOM 779 O PRO A 100 100.896 32.582 9.785 1.00 13.70 O -ATOM 780 CB PRO A 100 103.901 31.226 10.067 1.00 11.49 C -ATOM 781 CG PRO A 100 105.231 31.871 9.975 1.00 11.36 C -ATOM 782 CD PRO A 100 105.375 32.044 8.475 1.00 13.33 C -ATOM 783 N ASP A 101 102.451 34.156 9.917 1.00 11.79 N -ATOM 784 CA ASP A 101 101.557 35.167 10.509 1.00 10.69 C -ATOM 785 C ASP A 101 100.431 35.650 9.613 1.00 10.79 C -ATOM 786 O ASP A 101 99.626 36.484 10.034 1.00 11.72 O -ATOM 787 CB ASP A 101 102.323 36.409 10.937 1.00 10.42 C -ATOM 788 CG ASP A 101 103.188 36.181 12.148 1.00 10.85 C -ATOM 789 OD1 ASP A 101 103.510 35.017 12.460 1.00 8.84 O -ATOM 790 OD2 ASP A 101 103.562 37.197 12.774 1.00 14.05 O -ATOM 791 N ALA A 102 100.400 35.210 8.360 1.00 9.46 N -ATOM 792 CA ALA A 102 99.323 35.631 7.482 1.00 7.69 C -ATOM 793 C ALA A 102 98.065 34.831 7.791 1.00 7.73 C -ATOM 794 O ALA A 102 97.039 35.061 7.173 1.00 7.40 O -ATOM 795 CB ALA A 102 99.710 35.420 6.068 1.00 8.68 C -ATOM 796 N ILE A 103 98.163 33.873 8.719 1.00 7.63 N -ATOM 797 CA ILE A 103 97.053 32.998 9.119 1.00 7.20 C -ATOM 798 C ILE A 103 96.660 33.299 10.555 1.00 8.32 C -ATOM 799 O ILE A 103 97.539 33.471 11.391 1.00 9.25 O -ATOM 800 CB ILE A 103 97.478 31.533 9.067 1.00 5.34 C -ATOM 801 CG1 ILE A 103 97.666 31.103 7.619 1.00 5.62 C -ATOM 802 CG2 ILE A 103 96.502 30.657 9.811 1.00 3.79 C -ATOM 803 CD1 ILE A 103 99.038 30.547 7.362 1.00 7.09 C -ATOM 804 N GLN A 104 95.355 33.360 10.841 1.00 7.14 N -ATOM 805 CA GLN A 104 94.879 33.636 12.187 1.00 6.92 C -ATOM 806 C GLN A 104 93.976 32.482 12.579 1.00 7.22 C -ATOM 807 O GLN A 104 93.143 32.080 11.776 1.00 8.70 O -ATOM 808 CB GLN A 104 94.072 34.934 12.197 1.00 8.55 C -ATOM 809 CG GLN A 104 93.316 35.234 13.508 1.00 9.03 C -ATOM 810 CD GLN A 104 94.238 35.621 14.653 1.00 8.09 C -ATOM 811 OE1 GLN A 104 95.207 36.327 14.454 1.00 12.51 O -ATOM 812 NE2 GLN A 104 93.934 35.166 15.845 1.00 7.05 N -ATOM 813 N THR A 105 94.132 31.958 13.797 1.00 5.04 N -ATOM 814 CA THR A 105 93.326 30.849 14.277 1.00 4.79 C -ATOM 815 C THR A 105 92.652 31.277 15.587 1.00 7.05 C -ATOM 816 O THR A 105 93.084 32.254 16.206 1.00 6.59 O -ATOM 817 CB THR A 105 94.193 29.558 14.524 1.00 4.59 C -ATOM 818 OG1 THR A 105 95.060 29.727 15.658 1.00 2.00 O -ATOM 819 CG2 THR A 105 95.048 29.237 13.298 1.00 4.72 C -ATOM 820 N THR A 106 91.555 30.619 15.970 1.00 6.98 N -ATOM 821 CA THR A 106 90.899 30.956 17.224 1.00 9.02 C -ATOM 822 C THR A 106 90.622 29.649 17.936 1.00 10.21 C -ATOM 823 O THR A 106 90.561 28.608 17.297 1.00 11.73 O -ATOM 824 CB THR A 106 89.535 31.691 17.042 1.00 9.82 C -ATOM 825 OG1 THR A 106 88.503 30.744 16.734 1.00 10.13 O -ATOM 826 CG2 THR A 106 89.607 32.718 15.923 1.00 11.71 C -ATOM 827 N GLY A 107 90.563 29.693 19.263 1.00 10.03 N -ATOM 828 CA GLY A 107 90.227 28.508 20.018 1.00 9.25 C -ATOM 829 C GLY A 107 88.719 28.621 20.205 1.00 9.84 C -ATOM 830 O GLY A 107 88.062 29.390 19.495 1.00 9.20 O -ATOM 831 N SER A 108 88.153 27.874 21.146 1.00 10.71 N -ATOM 832 CA SER A 108 86.715 27.937 21.403 1.00 10.57 C -ATOM 833 C SER A 108 86.431 27.641 22.872 1.00 11.02 C -ATOM 834 O SER A 108 86.894 26.654 23.441 1.00 11.29 O -ATOM 835 CB SER A 108 85.937 26.981 20.494 1.00 10.03 C -ATOM 836 OG SER A 108 84.542 27.165 20.666 1.00 9.79 O -ATOM 837 N SER A 109 85.682 28.528 23.489 1.00 12.53 N -ATOM 838 CA SER A 109 85.341 28.399 24.884 1.00 15.34 C -ATOM 839 C SER A 109 84.069 27.605 25.152 1.00 16.79 C -ATOM 840 O SER A 109 83.606 27.589 26.296 1.00 17.42 O -ATOM 841 CB SER A 109 85.181 29.788 25.457 1.00 16.20 C -ATOM 842 OG SER A 109 86.128 30.653 24.862 1.00 19.07 O -ATOM 843 N ARG A 110 83.474 26.996 24.118 1.00 16.85 N -ATOM 844 CA ARG A 110 82.248 26.222 24.321 1.00 17.04 C -ATOM 845 C ARG A 110 82.444 24.725 24.436 1.00 17.08 C -ATOM 846 O ARG A 110 83.478 24.276 24.924 1.00 19.93 O -ATOM 847 CB ARG A 110 81.190 26.564 23.286 1.00 15.32 C -ATOM 848 CG ARG A 110 80.830 28.033 23.303 1.00 16.74 C -ATOM 849 CD ARG A 110 80.354 28.522 24.661 1.00 15.46 C -ATOM 850 NE ARG A 110 78.938 28.840 24.610 1.00 17.98 N -ATOM 851 CZ ARG A 110 77.970 27.928 24.641 1.00 19.46 C -ATOM 852 NH1 ARG A 110 78.256 26.644 24.742 1.00 21.83 N -ATOM 853 NH2 ARG A 110 76.713 28.283 24.469 1.00 21.23 N -ATOM 854 N GLY A 111 81.475 23.950 23.973 1.00 15.71 N -ATOM 855 CA GLY A 111 81.561 22.505 24.086 1.00 15.06 C -ATOM 856 C GLY A 111 82.799 21.669 23.743 1.00 14.50 C -ATOM 857 O GLY A 111 82.781 20.483 24.048 1.00 16.34 O -ATOM 858 N THR A 112 83.853 22.206 23.132 1.00 13.42 N -ATOM 859 CA THR A 112 85.011 21.367 22.783 1.00 12.22 C -ATOM 860 C THR A 112 85.831 20.781 23.910 1.00 12.28 C -ATOM 861 O THR A 112 86.222 19.619 23.863 1.00 12.90 O -ATOM 862 CB THR A 112 86.020 22.051 21.865 1.00 13.08 C -ATOM 863 OG1 THR A 112 85.861 23.481 21.885 1.00 15.49 O -ATOM 864 CG2 THR A 112 85.905 21.513 20.502 1.00 7.69 C -ATOM 865 N GLY A 113 86.136 21.582 24.908 1.00 11.49 N -ATOM 866 CA GLY A 113 86.933 21.070 25.993 1.00 10.63 C -ATOM 867 C GLY A 113 88.280 21.742 25.932 1.00 12.01 C -ATOM 868 O GLY A 113 88.593 22.486 24.992 1.00 12.02 O -ATOM 869 N ASN A 114 89.068 21.501 26.969 1.00 12.55 N -ATOM 870 CA ASN A 114 90.401 22.047 27.093 1.00 10.97 C -ATOM 871 C ASN A 114 91.354 21.367 26.148 1.00 12.80 C -ATOM 872 O ASN A 114 92.232 22.011 25.579 1.00 15.77 O -ATOM 873 CB ASN A 114 90.892 21.865 28.516 1.00 7.94 C -ATOM 874 CG ASN A 114 90.408 22.936 29.411 1.00 4.67 C -ATOM 875 OD1 ASN A 114 89.868 23.914 28.953 1.00 3.27 O -ATOM 876 ND2 ASN A 114 90.613 22.778 30.693 1.00 8.00 N -ATOM 877 N GLU A 115 91.144 20.076 25.933 1.00 13.44 N -ATOM 878 CA GLU A 115 92.005 19.283 25.052 1.00 14.31 C -ATOM 879 C GLU A 115 92.182 19.872 23.653 1.00 14.02 C -ATOM 880 O GLU A 115 93.311 19.990 23.154 1.00 14.75 O -ATOM 881 CB GLU A 115 91.489 17.843 24.938 1.00 13.99 C -ATOM 882 CG GLU A 115 91.585 17.021 26.231 1.00 14.40 C -ATOM 883 CD GLU A 115 90.485 17.307 27.226 1.00 14.61 C -ATOM 884 OE1 GLU A 115 89.570 18.082 26.923 1.00 17.30 O -ATOM 885 OE2 GLU A 115 90.523 16.760 28.337 1.00 16.42 O -ATOM 886 N THR A 116 91.082 20.306 23.048 1.00 13.32 N -ATOM 887 CA THR A 116 91.172 20.818 21.705 1.00 13.92 C -ATOM 888 C THR A 116 91.687 22.232 21.617 1.00 14.69 C -ATOM 889 O THR A 116 92.264 22.616 20.591 1.00 16.29 O -ATOM 890 CB THR A 116 89.884 20.573 20.879 1.00 14.93 C -ATOM 891 OG1 THR A 116 89.440 21.783 20.256 1.00 17.96 O -ATOM 892 CG2 THR A 116 88.794 20.003 21.728 1.00 15.50 C -ATOM 893 N ASN A 117 91.508 23.025 22.674 1.00 12.85 N -ATOM 894 CA ASN A 117 92.052 24.381 22.636 1.00 9.63 C -ATOM 895 C ASN A 117 93.603 24.227 22.637 1.00 9.33 C -ATOM 896 O ASN A 117 94.342 24.871 21.856 1.00 5.29 O -ATOM 897 CB ASN A 117 91.501 25.211 23.795 1.00 6.61 C -ATOM 898 CG ASN A 117 90.113 25.809 23.476 1.00 7.06 C -ATOM 899 OD1 ASN A 117 90.003 26.827 22.791 1.00 6.14 O -ATOM 900 ND2 ASN A 117 89.060 25.175 23.968 1.00 4.75 N -ATOM 901 N TYR A 118 94.060 23.253 23.420 1.00 10.56 N -ATOM 902 CA TYR A 118 95.471 22.929 23.510 1.00 10.82 C -ATOM 903 C TYR A 118 95.920 22.517 22.118 1.00 11.86 C -ATOM 904 O TYR A 118 96.880 23.063 21.591 1.00 13.93 O -ATOM 905 CB TYR A 118 95.724 21.796 24.510 1.00 8.60 C -ATOM 906 CG TYR A 118 97.141 21.263 24.424 1.00 9.40 C -ATOM 907 CD1 TYR A 118 98.219 21.984 24.944 1.00 7.34 C -ATOM 908 CD2 TYR A 118 97.414 20.070 23.744 1.00 9.86 C -ATOM 909 CE1 TYR A 118 99.529 21.527 24.780 1.00 7.10 C -ATOM 910 CE2 TYR A 118 98.717 19.612 23.571 1.00 7.79 C -ATOM 911 CZ TYR A 118 99.768 20.336 24.087 1.00 7.15 C -ATOM 912 OH TYR A 118 101.049 19.851 23.910 1.00 5.14 O -ATOM 913 N VAL A 119 95.234 21.560 21.513 1.00 12.94 N -ATOM 914 CA VAL A 119 95.606 21.137 20.160 1.00 14.95 C -ATOM 915 C VAL A 119 95.635 22.325 19.162 1.00 15.86 C -ATOM 916 O VAL A 119 96.545 22.423 18.327 1.00 17.16 O -ATOM 917 CB VAL A 119 94.628 20.058 19.606 1.00 16.02 C -ATOM 918 CG1 VAL A 119 94.940 19.757 18.146 1.00 15.43 C -ATOM 919 CG2 VAL A 119 94.682 18.776 20.448 1.00 15.00 C -ATOM 920 N MET A 120 94.671 23.242 19.258 1.00 15.49 N -ATOM 921 CA MET A 120 94.641 24.363 18.325 1.00 15.31 C -ATOM 922 C MET A 120 95.855 25.260 18.427 1.00 15.30 C -ATOM 923 O MET A 120 96.455 25.582 17.408 1.00 14.43 O -ATOM 924 CB MET A 120 93.365 25.189 18.453 1.00 15.35 C -ATOM 925 CG MET A 120 93.304 26.372 17.467 1.00 15.15 C -ATOM 926 SD MET A 120 93.368 25.949 15.699 1.00 14.37 S -ATOM 927 CE MET A 120 91.657 26.218 15.210 1.00 12.51 C -ATOM 928 N GLN A 121 96.240 25.648 19.642 1.00 15.67 N -ATOM 929 CA GLN A 121 97.410 26.499 19.779 1.00 15.96 C -ATOM 930 C GLN A 121 98.606 25.730 19.272 1.00 16.34 C -ATOM 931 O GLN A 121 99.374 26.245 18.481 1.00 18.25 O -ATOM 932 CB GLN A 121 97.611 26.997 21.219 1.00 18.45 C -ATOM 933 CG GLN A 121 97.845 25.958 22.301 1.00 20.38 C -ATOM 934 CD GLN A 121 99.320 25.674 22.577 1.00 21.93 C -ATOM 935 OE1 GLN A 121 100.222 26.416 22.150 1.00 22.30 O -ATOM 936 NE2 GLN A 121 99.572 24.591 23.305 1.00 20.54 N -ATOM 937 N LYS A 122 98.683 24.450 19.615 1.00 16.06 N -ATOM 938 CA LYS A 122 99.781 23.597 19.160 1.00 15.55 C -ATOM 939 C LYS A 122 99.954 23.604 17.637 1.00 15.82 C -ATOM 940 O LYS A 122 101.078 23.628 17.124 1.00 15.88 O -ATOM 941 CB LYS A 122 99.576 22.145 19.625 1.00 13.58 C -ATOM 942 CG LYS A 122 100.432 21.143 18.890 1.00 9.05 C -ATOM 943 CD LYS A 122 100.685 19.926 19.718 1.00 7.92 C -ATOM 944 CE LYS A 122 101.577 18.983 18.941 1.00 8.05 C -ATOM 945 NZ LYS A 122 101.857 17.705 19.653 1.00 7.90 N -ATOM 946 N PHE A 123 98.848 23.569 16.916 1.00 14.89 N -ATOM 947 CA PHE A 123 98.927 23.533 15.466 1.00 15.87 C -ATOM 948 C PHE A 123 99.361 24.885 14.899 1.00 16.36 C -ATOM 949 O PHE A 123 100.129 24.950 13.931 1.00 18.46 O -ATOM 950 CB PHE A 123 97.579 23.039 14.884 1.00 14.60 C -ATOM 951 CG PHE A 123 97.267 23.549 13.495 1.00 11.74 C -ATOM 952 CD1 PHE A 123 97.735 22.879 12.368 1.00 11.17 C -ATOM 953 CD2 PHE A 123 96.466 24.671 13.320 1.00 8.72 C -ATOM 954 CE1 PHE A 123 97.408 23.316 11.101 1.00 8.56 C -ATOM 955 CE2 PHE A 123 96.135 25.113 12.053 1.00 9.82 C -ATOM 956 CZ PHE A 123 96.607 24.435 10.940 1.00 8.57 C -ATOM 957 N ALA A 124 98.930 25.963 15.531 1.00 15.20 N -ATOM 958 CA ALA A 124 99.282 27.273 15.028 1.00 15.19 C -ATOM 959 C ALA A 124 100.782 27.502 15.210 1.00 15.47 C -ATOM 960 O ALA A 124 101.483 27.927 14.280 1.00 15.96 O -ATOM 961 CB ALA A 124 98.465 28.364 15.750 1.00 14.36 C -ATOM 962 N ARG A 125 101.283 27.124 16.380 1.00 14.69 N -ATOM 963 CA ARG A 125 102.684 27.323 16.736 1.00 13.58 C -ATOM 964 C ARG A 125 103.708 26.345 16.190 1.00 14.03 C -ATOM 965 O ARG A 125 104.800 26.754 15.811 1.00 15.17 O -ATOM 966 CB ARG A 125 102.803 27.425 18.248 1.00 10.72 C -ATOM 967 CG ARG A 125 102.319 28.762 18.763 1.00 9.91 C -ATOM 968 CD ARG A 125 101.729 28.639 20.127 1.00 9.04 C -ATOM 969 NE ARG A 125 101.444 29.944 20.699 1.00 9.78 N -ATOM 970 CZ ARG A 125 100.581 30.142 21.684 1.00 10.44 C -ATOM 971 NH1 ARG A 125 99.911 29.116 22.183 1.00 13.44 N -ATOM 972 NH2 ARG A 125 100.447 31.342 22.229 1.00 10.44 N -ATOM 973 N ALA A 126 103.364 25.060 16.178 1.00 13.74 N -ATOM 974 CA ALA A 126 104.250 24.017 15.699 1.00 10.55 C -ATOM 975 C ALA A 126 104.066 23.738 14.231 1.00 10.93 C -ATOM 976 O ALA A 126 105.035 23.466 13.534 1.00 13.25 O -ATOM 977 CB ALA A 126 104.031 22.767 16.471 1.00 9.20 C -ATOM 978 N VAL A 127 102.834 23.776 13.746 1.00 9.87 N -ATOM 979 CA VAL A 127 102.613 23.479 12.348 1.00 9.08 C -ATOM 980 C VAL A 127 102.711 24.729 11.493 1.00 11.01 C -ATOM 981 O VAL A 127 103.525 24.790 10.574 1.00 12.25 O -ATOM 982 CB VAL A 127 101.282 22.731 12.110 1.00 8.67 C -ATOM 983 CG1 VAL A 127 101.149 22.339 10.607 1.00 7.50 C -ATOM 984 CG2 VAL A 127 101.212 21.476 13.006 1.00 6.50 C -ATOM 985 N ILE A 128 101.902 25.735 11.794 1.00 11.74 N -ATOM 986 CA ILE A 128 101.935 26.984 11.030 1.00 12.20 C -ATOM 987 C ILE A 128 103.177 27.820 11.393 1.00 13.04 C -ATOM 988 O ILE A 128 103.831 28.388 10.513 1.00 12.44 O -ATOM 989 CB ILE A 128 100.690 27.854 11.312 1.00 11.73 C -ATOM 990 CG1 ILE A 128 99.429 26.990 11.412 1.00 8.77 C -ATOM 991 CG2 ILE A 128 100.529 28.893 10.189 1.00 14.51 C -ATOM 992 CD1 ILE A 128 98.635 26.950 10.165 1.00 6.38 C -ATOM 993 N GLY A 129 103.493 27.874 12.692 1.00 14.58 N -ATOM 994 CA GLY A 129 104.630 28.643 13.194 1.00 13.93 C -ATOM 995 C GLY A 129 104.237 30.084 13.510 1.00 14.29 C -ATOM 996 O GLY A 129 105.033 31.021 13.319 1.00 13.87 O -ATOM 997 N THR A 130 103.019 30.255 14.020 1.00 13.24 N -ATOM 998 CA THR A 130 102.476 31.565 14.341 1.00 13.40 C -ATOM 999 C THR A 130 101.980 31.541 15.769 1.00 13.59 C -ATOM 1000 O THR A 130 101.669 30.481 16.308 1.00 15.06 O -ATOM 1001 CB THR A 130 101.225 31.859 13.494 1.00 15.27 C -ATOM 1002 OG1 THR A 130 101.286 31.144 12.263 1.00 17.32 O -ATOM 1003 CG2 THR A 130 101.110 33.302 13.183 1.00 17.40 C -ATOM 1004 N ASN A 131 101.883 32.708 16.381 1.00 14.05 N -ATOM 1005 CA ASN A 131 101.350 32.811 17.736 1.00 13.96 C -ATOM 1006 C ASN A 131 99.934 33.375 17.608 1.00 14.16 C -ATOM 1007 O ASN A 131 99.294 33.677 18.606 1.00 15.41 O -ATOM 1008 CB ASN A 131 102.224 33.703 18.626 1.00 13.91 C -ATOM 1009 CG ASN A 131 103.463 32.983 19.151 1.00 15.03 C -ATOM 1010 OD1 ASN A 131 103.563 31.767 19.076 1.00 16.29 O -ATOM 1011 ND2 ASN A 131 104.411 33.742 19.689 1.00 15.28 N -ATOM 1012 N ASN A 132 99.466 33.526 16.364 1.00 15.02 N -ATOM 1013 CA ASN A 132 98.108 34.015 16.042 1.00 16.42 C -ATOM 1014 C ASN A 132 97.012 33.037 16.541 1.00 17.22 C -ATOM 1015 O ASN A 132 96.367 32.364 15.727 1.00 16.38 O -ATOM 1016 CB ASN A 132 97.930 34.138 14.518 1.00 15.13 C -ATOM 1017 CG ASN A 132 98.521 35.396 13.947 1.00 13.43 C -ATOM 1018 OD1 ASN A 132 99.220 36.122 14.621 1.00 15.73 O -ATOM 1019 ND2 ASN A 132 98.219 35.670 12.694 1.00 13.26 N -ATOM 1020 N VAL A 133 96.842 32.927 17.859 1.00 18.24 N -ATOM 1021 CA VAL A 133 95.833 32.048 18.454 1.00 19.18 C -ATOM 1022 C VAL A 133 95.183 32.848 19.546 1.00 21.02 C -ATOM 1023 O VAL A 133 95.846 33.200 20.517 1.00 22.40 O -ATOM 1024 CB VAL A 133 96.420 30.802 19.164 1.00 18.15 C -ATOM 1025 CG1 VAL A 133 95.796 29.544 18.585 1.00 15.92 C -ATOM 1026 CG2 VAL A 133 97.954 30.798 19.140 1.00 15.87 C -ATOM 1027 N ASP A 134 93.878 33.046 19.455 1.00 21.27 N -ATOM 1028 CA ASP A 134 93.188 33.837 20.450 1.00 21.86 C -ATOM 1029 C ASP A 134 91.796 33.258 20.642 1.00 23.67 C -ATOM 1030 O ASP A 134 91.362 32.389 19.876 1.00 24.01 O -ATOM 1031 CB ASP A 134 93.125 35.287 19.940 1.00 21.31 C -ATOM 1032 CG ASP A 134 92.791 36.295 21.031 1.00 22.51 C -ATOM 1033 OD1 ASP A 134 92.807 35.961 22.241 1.00 22.84 O -ATOM 1034 OD2 ASP A 134 92.517 37.454 20.660 1.00 19.76 O -ATOM 1035 N CYS A 135 91.113 33.699 21.691 1.00 25.58 N -ATOM 1036 CA CYS A 135 89.763 33.236 21.970 1.00 26.70 C -ATOM 1037 C CYS A 135 88.992 34.410 22.548 1.00 27.70 C -ATOM 1038 O CYS A 135 89.582 35.472 22.769 1.00 27.42 O -ATOM 1039 CB CYS A 135 89.770 32.030 22.918 1.00 26.46 C -ATOM 1040 SG CYS A 135 90.088 32.391 24.622 1.00 24.77 S -ATOM 1041 N CYS A 136 87.703 34.197 22.844 1.00 29.45 N -ATOM 1042 CA CYS A 136 86.795 35.244 23.341 1.00 30.48 C -ATOM 1043 C CYS A 136 87.148 35.973 24.631 1.00 30.67 C -ATOM 1044 O CYS A 136 86.430 36.883 25.060 1.00 29.00 O -ATOM 1045 CB CYS A 136 85.358 34.740 23.394 1.00 31.38 C -ATOM 1046 SG CYS A 136 85.092 33.450 24.564 1.00 37.02 S -ATOM 1047 N ALA A 137 88.268 35.596 25.237 1.00 31.54 N -ATOM 1048 CA ALA A 137 88.736 36.271 26.429 1.00 32.32 C -ATOM 1049 C ALA A 137 88.877 37.714 25.943 1.00 32.66 C -ATOM 1050 O ALA A 137 88.540 38.661 26.641 1.00 33.54 O -ATOM 1051 CB ALA A 137 90.086 35.717 26.832 1.00 31.85 C -ATOM 1052 N ARG A 138 89.280 37.827 24.683 1.00 32.36 N -ATOM 1053 CA ARG A 138 89.475 39.078 23.957 1.00 32.73 C -ATOM 1054 C ARG A 138 88.312 40.055 24.096 1.00 31.57 C -ATOM 1055 O ARG A 138 88.482 41.255 24.299 1.00 31.54 O -ATOM 1056 CB ARG A 138 89.610 38.737 22.466 1.00 32.92 C -ATOM 1057 CG ARG A 138 90.109 39.861 21.582 1.00 33.56 C -ATOM 1058 CD ARG A 138 91.613 40.012 21.707 1.00 33.08 C -ATOM 1059 NE ARG A 138 92.044 40.363 23.054 1.00 33.33 N -ATOM 1060 CZ ARG A 138 92.958 39.700 23.754 1.00 34.07 C -ATOM 1061 NH1 ARG A 138 93.545 38.626 23.257 1.00 35.74 N -ATOM 1062 NH2 ARG A 138 93.333 40.150 24.942 1.00 36.08 N -ATOM 1063 N VAL A 139 87.124 39.504 23.990 1.00 31.00 N -ATOM 1064 CA VAL A 139 85.895 40.268 24.029 1.00 31.35 C -ATOM 1065 C VAL A 139 85.147 40.204 25.387 1.00 30.23 C -ATOM 1066 O VAL A 139 84.184 40.948 25.636 1.00 29.30 O -ATOM 1067 CB VAL A 139 85.047 39.771 22.817 1.00 31.77 C -ATOM 1068 CG1 VAL A 139 83.591 39.840 23.083 1.00 33.06 C -ATOM 1069 CG2 VAL A 139 85.435 40.559 21.555 1.00 31.43 C -HETATM 1070 N CSE A 140 85.635 39.346 26.276 1.00 29.32 N -HETATM 1071 CA CSE A 140 85.027 39.153 27.583 1.00 27.91 C -HETATM 1072 CB CSE A 140 84.806 37.647 27.807 1.00 28.63 C -HETATM 1073 SE CSE A 140 83.815 37.108 29.258 1.00 30.97 SE -HETATM 1074 C CSE A 140 85.865 39.758 28.724 1.00 27.29 C -HETATM 1075 O CSE A 140 85.777 40.961 29.041 1.00 25.08 O -ATOM 1076 N HIS A 141 86.687 38.916 29.337 1.00 25.49 N -ATOM 1077 CA HIS A 141 87.510 39.346 30.433 1.00 23.81 C -ATOM 1078 C HIS A 141 88.980 39.524 30.088 1.00 23.46 C -ATOM 1079 O HIS A 141 89.854 39.314 30.942 1.00 24.21 O -ATOM 1080 CB HIS A 141 87.337 38.385 31.599 1.00 23.63 C -ATOM 1081 CG HIS A 141 86.109 38.648 32.399 1.00 23.74 C -ATOM 1082 ND1 HIS A 141 86.159 39.040 33.723 1.00 23.16 N -ATOM 1083 CD2 HIS A 141 84.800 38.615 32.064 1.00 25.72 C -ATOM 1084 CE1 HIS A 141 84.932 39.234 34.166 1.00 25.42 C -ATOM 1085 NE2 HIS A 141 84.086 38.985 33.180 1.00 27.60 N -ATOM 1086 N GLY A 142 89.262 39.874 28.838 1.00 21.74 N -ATOM 1087 CA GLY A 142 90.632 40.118 28.438 1.00 21.47 C -ATOM 1088 C GLY A 142 91.168 41.226 29.338 1.00 21.39 C -ATOM 1089 O GLY A 142 92.278 41.122 29.894 1.00 20.56 O -ATOM 1090 N PRO A 143 90.382 42.309 29.517 1.00 20.27 N -ATOM 1091 CA PRO A 143 90.823 43.408 30.375 1.00 19.86 C -ATOM 1092 C PRO A 143 91.130 42.914 31.783 1.00 20.45 C -ATOM 1093 O PRO A 143 92.142 43.308 32.358 1.00 19.15 O -ATOM 1094 CB PRO A 143 89.611 44.345 30.365 1.00 19.57 C -ATOM 1095 CG PRO A 143 89.076 44.162 28.989 1.00 19.49 C -ATOM 1096 CD PRO A 143 89.137 42.664 28.812 1.00 18.89 C -ATOM 1097 N SER A 144 90.266 42.030 32.311 1.00 21.50 N -ATOM 1098 CA SER A 144 90.420 41.472 33.664 1.00 21.74 C -ATOM 1099 C SER A 144 91.782 40.837 33.855 1.00 22.19 C -ATOM 1100 O SER A 144 92.451 41.106 34.855 1.00 22.68 O -ATOM 1101 CB SER A 144 89.350 40.423 33.995 1.00 20.33 C -ATOM 1102 OG SER A 144 88.084 41.016 34.245 1.00 20.27 O -ATOM 1103 N VAL A 145 92.199 40.020 32.887 1.00 21.78 N -ATOM 1104 CA VAL A 145 93.491 39.347 32.978 1.00 20.98 C -ATOM 1105 C VAL A 145 94.633 40.346 33.000 1.00 20.95 C -ATOM 1106 O VAL A 145 95.569 40.172 33.767 1.00 20.21 O -ATOM 1107 CB VAL A 145 93.760 38.380 31.808 1.00 20.97 C -ATOM 1108 CG1 VAL A 145 95.106 37.719 32.018 1.00 20.95 C -ATOM 1109 CG2 VAL A 145 92.659 37.338 31.680 1.00 20.19 C -ATOM 1110 N ALA A 146 94.577 41.364 32.140 1.00 19.94 N -ATOM 1111 CA ALA A 146 95.645 42.350 32.095 1.00 19.16 C -ATOM 1112 C ALA A 146 95.729 43.096 33.408 1.00 19.40 C -ATOM 1113 O ALA A 146 96.694 42.921 34.156 1.00 20.34 O -ATOM 1114 CB ALA A 146 95.453 43.308 30.957 1.00 19.00 C -ATOM 1115 N GLY A 147 94.709 43.893 33.702 1.00 19.22 N -ATOM 1116 CA GLY A 147 94.676 44.657 34.937 1.00 19.79 C -ATOM 1117 C GLY A 147 95.122 43.841 36.121 1.00 21.04 C -ATOM 1118 O GLY A 147 96.034 44.238 36.848 1.00 21.53 O -ATOM 1119 N LEU A 148 94.525 42.663 36.272 1.00 22.41 N -ATOM 1120 CA LEU A 148 94.863 41.754 37.362 1.00 22.87 C -ATOM 1121 C LEU A 148 96.258 41.202 37.231 1.00 22.47 C -ATOM 1122 O LEU A 148 96.921 40.993 38.233 1.00 25.34 O -ATOM 1123 CB LEU A 148 93.898 40.570 37.422 1.00 22.80 C -ATOM 1124 CG LEU A 148 92.675 40.723 38.304 1.00 22.83 C -ATOM 1125 CD1 LEU A 148 91.812 39.493 38.210 1.00 21.23 C -ATOM 1126 CD2 LEU A 148 93.162 40.942 39.717 1.00 23.35 C -ATOM 1127 N HIS A 149 96.710 40.936 36.016 1.00 21.79 N -ATOM 1128 CA HIS A 149 98.041 40.384 35.867 1.00 22.67 C -ATOM 1129 C HIS A 149 99.082 41.303 36.451 1.00 23.19 C -ATOM 1130 O HIS A 149 100.025 40.841 37.091 1.00 24.15 O -ATOM 1131 CB HIS A 149 98.408 40.099 34.425 1.00 23.64 C -ATOM 1132 CG HIS A 149 99.817 39.640 34.277 1.00 25.97 C -ATOM 1133 ND1 HIS A 149 100.268 38.468 34.846 1.00 26.59 N -ATOM 1134 CD2 HIS A 149 100.911 40.262 33.774 1.00 27.03 C -ATOM 1135 CE1 HIS A 149 101.582 38.395 34.713 1.00 27.49 C -ATOM 1136 NE2 HIS A 149 101.996 39.472 34.065 1.00 27.42 N -ATOM 1137 N GLN A 150 98.927 42.593 36.176 1.00 23.04 N -ATOM 1138 CA GLN A 150 99.829 43.622 36.667 1.00 22.87 C -ATOM 1139 C GLN A 150 99.662 43.868 38.151 1.00 23.60 C -ATOM 1140 O GLN A 150 100.648 43.862 38.882 1.00 26.58 O -ATOM 1141 CB GLN A 150 99.574 44.941 35.943 1.00 23.34 C -ATOM 1142 CG GLN A 150 100.499 45.209 34.775 1.00 24.52 C -ATOM 1143 CD GLN A 150 101.910 45.534 35.211 1.00 24.55 C -ATOM 1144 OE1 GLN A 150 102.126 46.334 36.137 1.00 22.93 O -ATOM 1145 NE2 GLN A 150 102.888 44.930 34.534 1.00 23.67 N -ATOM 1146 N SER A 151 98.416 44.034 38.599 1.00 23.28 N -ATOM 1147 CA SER A 151 98.121 44.345 40.000 1.00 22.06 C -ATOM 1148 C SER A 151 98.512 43.287 40.992 1.00 22.19 C -ATOM 1149 O SER A 151 99.144 43.551 42.015 1.00 22.82 O -ATOM 1150 CB SER A 151 96.618 44.539 40.229 1.00 21.51 C -ATOM 1151 OG SER A 151 95.995 45.373 39.293 1.00 20.06 O -ATOM 1152 N VAL A 152 98.116 42.072 40.677 1.00 21.46 N -ATOM 1153 CA VAL A 152 98.281 40.998 41.602 1.00 20.38 C -ATOM 1154 C VAL A 152 98.991 39.770 41.051 1.00 20.04 C -ATOM 1155 O VAL A 152 99.155 38.790 41.762 1.00 19.76 O -ATOM 1156 CB VAL A 152 96.864 40.689 42.162 1.00 20.80 C -ATOM 1157 CG1 VAL A 152 96.079 39.767 41.236 1.00 19.97 C -ATOM 1158 CG2 VAL A 152 96.935 40.199 43.555 1.00 22.94 C -ATOM 1159 N GLY A 153 99.385 39.804 39.783 1.00 19.03 N -ATOM 1160 CA GLY A 153 100.106 38.674 39.231 1.00 20.02 C -ATOM 1161 C GLY A 153 99.333 37.513 38.631 1.00 20.65 C -ATOM 1162 O GLY A 153 99.931 36.593 38.076 1.00 19.73 O -ATOM 1163 N ASN A 154 98.012 37.514 38.746 1.00 22.28 N -ATOM 1164 CA ASN A 154 97.238 36.426 38.162 1.00 22.86 C -ATOM 1165 C ASN A 154 95.848 36.905 37.793 1.00 23.34 C -ATOM 1166 O ASN A 154 95.183 37.585 38.577 1.00 24.88 O -ATOM 1167 CB ASN A 154 97.161 35.239 39.104 1.00 23.90 C -ATOM 1168 CG ASN A 154 96.780 33.984 38.383 1.00 25.83 C -ATOM 1169 OD1 ASN A 154 95.951 34.026 37.479 1.00 29.67 O -ATOM 1170 ND2 ASN A 154 97.408 32.864 38.729 1.00 26.12 N -ATOM 1171 N GLY A 155 95.403 36.547 36.599 1.00 23.46 N -ATOM 1172 CA GLY A 155 94.100 37.000 36.142 1.00 24.49 C -ATOM 1173 C GLY A 155 92.848 36.206 36.493 1.00 24.54 C -ATOM 1174 O GLY A 155 91.752 36.630 36.123 1.00 26.97 O -ATOM 1175 N ALA A 156 92.986 35.059 37.156 1.00 22.80 N -ATOM 1176 CA ALA A 156 91.830 34.234 37.528 1.00 20.07 C -ATOM 1177 C ALA A 156 91.138 34.758 38.766 1.00 19.13 C -ATOM 1178 O ALA A 156 91.638 35.690 39.411 1.00 20.17 O -ATOM 1179 CB ALA A 156 92.273 32.832 37.787 1.00 20.97 C -ATOM 1180 N MET A 157 89.986 34.177 39.093 1.00 16.42 N -ATOM 1181 CA MET A 157 89.261 34.552 40.306 1.00 14.55 C -ATOM 1182 C MET A 157 90.279 34.283 41.401 1.00 13.29 C -ATOM 1183 O MET A 157 90.885 33.214 41.422 1.00 14.02 O -ATOM 1184 CB MET A 157 88.037 33.637 40.544 1.00 15.67 C -ATOM 1185 CG MET A 157 86.776 33.959 39.718 1.00 16.37 C -ATOM 1186 SD MET A 157 85.300 33.026 40.172 1.00 15.12 S -ATOM 1187 CE MET A 157 84.960 33.671 41.769 1.00 10.86 C -ATOM 1188 N SER A 158 90.499 35.233 42.294 1.00 11.57 N -ATOM 1189 CA SER A 158 91.483 35.009 43.330 1.00 11.40 C -ATOM 1190 C SER A 158 91.032 33.916 44.248 1.00 12.35 C -ATOM 1191 O SER A 158 91.826 33.087 44.683 1.00 13.08 O -ATOM 1192 CB SER A 158 91.731 36.277 44.130 1.00 11.66 C -ATOM 1193 OG SER A 158 90.548 36.730 44.733 1.00 12.47 O -ATOM 1194 N ASN A 159 89.737 33.910 44.526 1.00 13.43 N -ATOM 1195 CA ASN A 159 89.141 32.938 45.421 1.00 13.39 C -ATOM 1196 C ASN A 159 88.108 32.078 44.681 1.00 14.17 C -ATOM 1197 O ASN A 159 87.736 32.359 43.538 1.00 14.01 O -ATOM 1198 CB ASN A 159 88.535 33.671 46.623 1.00 14.14 C -ATOM 1199 CG ASN A 159 89.584 34.449 47.447 1.00 16.01 C -ATOM 1200 OD1 ASN A 159 90.433 35.168 46.908 1.00 16.94 O -ATOM 1201 ND2 ASN A 159 89.516 34.306 48.765 1.00 17.12 N -ATOM 1202 N ALA A 160 87.626 31.036 45.342 1.00 15.61 N -ATOM 1203 CA ALA A 160 86.689 30.110 44.725 1.00 16.24 C -ATOM 1204 C ALA A 160 85.206 30.457 44.787 1.00 16.82 C -ATOM 1205 O ALA A 160 84.766 31.188 45.681 1.00 16.61 O -ATOM 1206 CB ALA A 160 86.919 28.732 45.307 1.00 17.13 C -ATOM 1207 N ILE A 161 84.445 29.879 43.848 1.00 16.79 N -ATOM 1208 CA ILE A 161 82.980 30.024 43.749 1.00 16.09 C -ATOM 1209 C ILE A 161 82.396 29.519 45.063 1.00 17.02 C -ATOM 1210 O ILE A 161 81.464 30.092 45.605 1.00 19.52 O -ATOM 1211 CB ILE A 161 82.387 29.105 42.614 1.00 15.67 C -ATOM 1212 CG1 ILE A 161 82.706 29.659 41.224 1.00 14.07 C -ATOM 1213 CG2 ILE A 161 80.889 28.885 42.788 1.00 13.74 C -ATOM 1214 CD1 ILE A 161 82.076 28.855 40.126 1.00 9.22 C -ATOM 1215 N ASN A 162 82.940 28.423 45.567 1.00 18.05 N -ATOM 1216 CA ASN A 162 82.459 27.854 46.809 1.00 18.49 C -ATOM 1217 C ASN A 162 82.949 28.570 48.056 1.00 19.18 C -ATOM 1218 O ASN A 162 82.641 28.160 49.164 1.00 21.20 O -ATOM 1219 CB ASN A 162 82.790 26.372 46.881 1.00 18.29 C -ATOM 1220 CG ASN A 162 81.910 25.534 45.961 1.00 21.29 C -ATOM 1221 OD1 ASN A 162 82.010 25.602 44.729 1.00 21.76 O -ATOM 1222 ND2 ASN A 162 81.060 24.715 46.559 1.00 23.79 N -ATOM 1223 N GLU A 163 83.680 29.665 47.894 1.00 19.52 N -ATOM 1224 CA GLU A 163 84.178 30.420 49.054 1.00 18.08 C -ATOM 1225 C GLU A 163 83.249 31.592 49.384 1.00 17.15 C -ATOM 1226 O GLU A 163 83.270 32.129 50.504 1.00 15.99 O -ATOM 1227 CB GLU A 163 85.565 30.971 48.762 1.00 17.26 C -ATOM 1228 CG GLU A 163 86.696 30.253 49.405 1.00 16.69 C -ATOM 1229 CD GLU A 163 88.018 30.740 48.865 1.00 17.62 C -ATOM 1230 OE1 GLU A 163 88.528 31.769 49.362 1.00 15.80 O -ATOM 1231 OE2 GLU A 163 88.528 30.112 47.914 1.00 18.87 O -ATOM 1232 N ILE A 164 82.430 31.966 48.403 1.00 15.63 N -ATOM 1233 CA ILE A 164 81.519 33.088 48.545 1.00 15.81 C -ATOM 1234 C ILE A 164 80.591 32.974 49.750 1.00 16.42 C -ATOM 1235 O ILE A 164 80.408 33.933 50.511 1.00 16.21 O -ATOM 1236 CB ILE A 164 80.693 33.285 47.262 1.00 14.18 C -ATOM 1237 CG1 ILE A 164 81.632 33.368 46.061 1.00 13.47 C -ATOM 1238 CG2 ILE A 164 79.890 34.578 47.355 1.00 14.98 C -ATOM 1239 CD1 ILE A 164 80.950 33.728 44.757 1.00 14.66 C -ATOM 1240 N ASP A 165 80.124 31.756 49.979 1.00 17.31 N -ATOM 1241 CA ASP A 165 79.190 31.447 51.041 1.00 18.91 C -ATOM 1242 C ASP A 165 79.659 31.816 52.447 1.00 20.15 C -ATOM 1243 O ASP A 165 78.933 31.593 53.417 1.00 20.79 O -ATOM 1244 CB ASP A 165 78.819 29.961 51.006 1.00 20.55 C -ATOM 1245 CG ASP A 165 78.373 29.482 49.627 1.00 21.90 C -ATOM 1246 OD1 ASP A 165 79.005 29.855 48.614 1.00 22.55 O -ATOM 1247 OD2 ASP A 165 77.426 28.670 49.563 1.00 22.49 O -ATOM 1248 N ASN A 166 80.868 32.346 52.579 1.00 20.41 N -ATOM 1249 CA ASN A 166 81.356 32.715 53.899 1.00 19.98 C -ATOM 1250 C ASN A 166 82.052 34.076 54.016 1.00 20.67 C -ATOM 1251 O ASN A 166 82.791 34.330 54.976 1.00 20.76 O -ATOM 1252 CB ASN A 166 82.209 31.604 54.458 1.00 20.78 C -ATOM 1253 CG ASN A 166 81.389 30.396 54.824 1.00 24.99 C -ATOM 1254 OD1 ASN A 166 80.870 30.307 55.937 1.00 28.45 O -ATOM 1255 ND2 ASN A 166 81.223 29.471 53.878 1.00 25.03 N -ATOM 1256 N THR A 167 81.841 34.939 53.023 1.00 19.70 N -ATOM 1257 CA THR A 167 82.395 36.279 53.066 1.00 18.75 C -ATOM 1258 C THR A 167 81.508 37.051 54.021 1.00 18.28 C -ATOM 1259 O THR A 167 80.423 36.601 54.385 1.00 18.36 O -ATOM 1260 CB THR A 167 82.269 36.990 51.737 1.00 19.01 C -ATOM 1261 OG1 THR A 167 80.959 36.773 51.199 1.00 20.27 O -ATOM 1262 CG2 THR A 167 83.294 36.503 50.783 1.00 20.41 C -ATOM 1263 N ASP A 168 81.968 38.212 54.442 1.00 17.94 N -ATOM 1264 CA ASP A 168 81.164 39.019 55.321 1.00 16.86 C -ATOM 1265 C ASP A 168 80.475 40.099 54.499 1.00 15.75 C -ATOM 1266 O ASP A 168 79.573 40.791 54.971 1.00 17.13 O -ATOM 1267 CB ASP A 168 82.039 39.586 56.406 1.00 18.22 C -ATOM 1268 CG ASP A 168 82.594 38.505 57.295 1.00 21.42 C -ATOM 1269 OD1 ASP A 168 81.790 37.933 58.065 1.00 22.88 O -ATOM 1270 OD2 ASP A 168 83.812 38.207 57.208 1.00 22.60 O -ATOM 1271 N LEU A 169 80.859 40.193 53.241 1.00 12.97 N -ATOM 1272 CA LEU A 169 80.273 41.173 52.368 1.00 13.41 C -ATOM 1273 C LEU A 169 80.600 40.780 50.921 1.00 14.12 C -ATOM 1274 O LEU A 169 81.742 40.441 50.578 1.00 13.60 O -ATOM 1275 CB LEU A 169 80.790 42.577 52.734 1.00 12.10 C -ATOM 1276 CG LEU A 169 80.156 43.848 52.160 1.00 10.55 C -ATOM 1277 CD1 LEU A 169 80.418 45.009 53.080 1.00 10.55 C -ATOM 1278 CD2 LEU A 169 80.719 44.158 50.793 1.00 10.51 C -ATOM 1279 N VAL A 170 79.564 40.781 50.096 1.00 13.61 N -ATOM 1280 CA VAL A 170 79.695 40.425 48.710 1.00 13.50 C -ATOM 1281 C VAL A 170 79.552 41.676 47.891 1.00 12.68 C -ATOM 1282 O VAL A 170 78.449 42.104 47.607 1.00 14.03 O -ATOM 1283 CB VAL A 170 78.588 39.432 48.309 1.00 14.60 C -ATOM 1284 CG1 VAL A 170 78.842 38.895 46.891 1.00 13.81 C -ATOM 1285 CG2 VAL A 170 78.495 38.312 49.347 1.00 13.18 C -ATOM 1286 N PHE A 171 80.670 42.279 47.535 1.00 14.00 N -ATOM 1287 CA PHE A 171 80.662 43.496 46.731 1.00 14.84 C -ATOM 1288 C PHE A 171 80.434 43.151 45.238 1.00 14.80 C -ATOM 1289 O PHE A 171 81.393 42.790 44.526 1.00 14.03 O -ATOM 1290 CB PHE A 171 82.003 44.210 46.921 1.00 16.51 C -ATOM 1291 CG PHE A 171 82.018 45.632 46.433 1.00 17.89 C -ATOM 1292 CD1 PHE A 171 81.055 46.528 46.843 1.00 17.77 C -ATOM 1293 CD2 PHE A 171 83.023 46.077 45.597 1.00 19.79 C -ATOM 1294 CE1 PHE A 171 81.093 47.837 46.435 1.00 20.06 C -ATOM 1295 CE2 PHE A 171 83.072 47.402 45.176 1.00 21.88 C -ATOM 1296 CZ PHE A 171 82.108 48.281 45.594 1.00 21.52 C -ATOM 1297 N VAL A 172 79.176 43.193 44.785 1.00 13.06 N -ATOM 1298 CA VAL A 172 78.860 42.887 43.385 1.00 12.64 C -ATOM 1299 C VAL A 172 79.012 44.189 42.605 1.00 13.27 C -ATOM 1300 O VAL A 172 78.394 45.198 42.961 1.00 13.80 O -ATOM 1301 CB VAL A 172 77.418 42.317 43.227 1.00 12.01 C -ATOM 1302 CG1 VAL A 172 77.162 41.853 41.792 1.00 10.18 C -ATOM 1303 CG2 VAL A 172 77.204 41.174 44.199 1.00 9.82 C -ATOM 1304 N PHE A 173 79.843 44.187 41.562 1.00 13.66 N -ATOM 1305 CA PHE A 173 80.089 45.405 40.787 1.00 14.27 C -ATOM 1306 C PHE A 173 79.975 45.192 39.280 1.00 15.18 C -ATOM 1307 O PHE A 173 80.768 44.442 38.692 1.00 15.81 O -ATOM 1308 CB PHE A 173 81.487 45.938 41.123 1.00 14.97 C -ATOM 1309 CG PHE A 173 81.740 47.334 40.646 1.00 15.77 C -ATOM 1310 CD1 PHE A 173 81.990 47.591 39.312 1.00 16.36 C -ATOM 1311 CD2 PHE A 173 81.718 48.399 41.538 1.00 16.65 C -ATOM 1312 CE1 PHE A 173 82.212 48.892 38.865 1.00 17.58 C -ATOM 1313 CE2 PHE A 173 81.941 49.706 41.099 1.00 17.51 C -ATOM 1314 CZ PHE A 173 82.187 49.953 39.762 1.00 16.12 C -ATOM 1315 N GLY A 174 79.010 45.873 38.655 1.00 14.96 N -ATOM 1316 CA GLY A 174 78.805 45.757 37.217 1.00 13.87 C -ATOM 1317 C GLY A 174 78.828 44.302 36.853 1.00 14.16 C -ATOM 1318 O GLY A 174 79.744 43.839 36.189 1.00 14.95 O -ATOM 1319 N TYR A 175 77.824 43.575 37.321 1.00 15.36 N -ATOM 1320 CA TYR A 175 77.742 42.139 37.114 1.00 16.28 C -ATOM 1321 C TYR A 175 76.407 41.669 37.668 1.00 17.06 C -ATOM 1322 O TYR A 175 76.066 42.006 38.807 1.00 17.08 O -ATOM 1323 CB TYR A 175 78.878 41.487 37.904 1.00 15.92 C -ATOM 1324 CG TYR A 175 78.834 39.987 38.014 1.00 14.34 C -ATOM 1325 CD1 TYR A 175 78.669 39.183 36.884 1.00 12.78 C -ATOM 1326 CD2 TYR A 175 79.016 39.375 39.248 1.00 13.26 C -ATOM 1327 CE1 TYR A 175 78.692 37.798 36.982 1.00 14.47 C -ATOM 1328 CE2 TYR A 175 79.045 38.005 39.361 1.00 15.67 C -ATOM 1329 CZ TYR A 175 78.883 37.208 38.230 1.00 15.40 C -ATOM 1330 OH TYR A 175 78.924 35.828 38.371 1.00 14.48 O -ATOM 1331 N ASN A 176 75.692 40.847 36.892 1.00 17.23 N -ATOM 1332 CA ASN A 176 74.386 40.334 37.294 1.00 17.19 C -ATOM 1333 C ASN A 176 74.441 38.815 37.483 1.00 17.93 C -ATOM 1334 O ASN A 176 73.940 38.061 36.640 1.00 19.32 O -ATOM 1335 CB ASN A 176 73.355 40.704 36.224 1.00 17.22 C -ATOM 1336 CG ASN A 176 71.920 40.553 36.711 1.00 19.54 C -ATOM 1337 OD1 ASN A 176 71.652 40.514 37.916 1.00 21.56 O -ATOM 1338 ND2 ASN A 176 70.985 40.457 35.773 1.00 21.90 N -ATOM 1339 N PRO A 177 74.933 38.341 38.650 1.00 18.02 N -ATOM 1340 CA PRO A 177 75.015 36.882 38.863 1.00 17.44 C -ATOM 1341 C PRO A 177 73.668 36.170 38.733 1.00 17.97 C -ATOM 1342 O PRO A 177 73.599 35.011 38.359 1.00 16.41 O -ATOM 1343 CB PRO A 177 75.545 36.749 40.298 1.00 15.69 C -ATOM 1344 CG PRO A 177 75.813 38.137 40.779 1.00 16.28 C -ATOM 1345 CD PRO A 177 75.007 39.068 39.929 1.00 17.20 C -ATOM 1346 N ALA A 178 72.597 36.894 39.018 1.00 20.45 N -ATOM 1347 CA ALA A 178 71.251 36.337 38.972 1.00 22.30 C -ATOM 1348 C ALA A 178 70.823 35.828 37.597 1.00 22.85 C -ATOM 1349 O ALA A 178 69.990 34.936 37.507 1.00 24.93 O -ATOM 1350 CB ALA A 178 70.246 37.373 39.478 1.00 22.00 C -ATOM 1351 N ASP A 179 71.385 36.382 36.531 1.00 21.21 N -ATOM 1352 CA ASP A 179 70.991 35.964 35.194 1.00 20.92 C -ATOM 1353 C ASP A 179 72.115 35.338 34.385 1.00 20.42 C -ATOM 1354 O ASP A 179 71.890 34.701 33.343 1.00 19.02 O -ATOM 1355 CB ASP A 179 70.494 37.187 34.423 1.00 23.01 C -ATOM 1356 CG ASP A 179 69.156 37.688 34.905 1.00 22.14 C -ATOM 1357 OD1 ASP A 179 68.682 37.264 35.974 1.00 23.33 O -ATOM 1358 OD2 ASP A 179 68.566 38.503 34.187 1.00 22.11 O -ATOM 1359 N SER A 180 73.329 35.644 34.817 1.00 20.19 N -ATOM 1360 CA SER A 180 74.546 35.207 34.173 1.00 18.16 C -ATOM 1361 C SER A 180 75.104 33.912 34.706 1.00 17.98 C -ATOM 1362 O SER A 180 75.678 33.135 33.959 1.00 19.47 O -ATOM 1363 CB SER A 180 75.574 36.298 34.361 1.00 18.04 C -ATOM 1364 OG SER A 180 74.932 37.547 34.296 1.00 17.71 O -ATOM 1365 N HIS A 181 75.076 33.748 36.019 1.00 17.27 N -ATOM 1366 CA HIS A 181 75.576 32.536 36.638 1.00 16.80 C -ATOM 1367 C HIS A 181 74.642 32.281 37.819 1.00 16.97 C -ATOM 1368 O HIS A 181 74.934 32.689 38.946 1.00 19.82 O -ATOM 1369 CB HIS A 181 77.020 32.711 37.143 1.00 16.16 C -ATOM 1370 CG HIS A 181 77.989 33.221 36.112 1.00 16.43 C -ATOM 1371 ND1 HIS A 181 78.308 34.558 35.984 1.00 14.77 N -ATOM 1372 CD2 HIS A 181 78.744 32.570 35.197 1.00 16.30 C -ATOM 1373 CE1 HIS A 181 79.212 34.708 35.035 1.00 14.36 C -ATOM 1374 NE2 HIS A 181 79.495 33.518 34.542 1.00 15.49 N -ATOM 1375 N PRO A 182 73.480 31.660 37.570 1.00 14.73 N -ATOM 1376 CA PRO A 182 72.479 31.342 38.582 1.00 13.15 C -ATOM 1377 C PRO A 182 72.970 30.558 39.785 1.00 14.13 C -ATOM 1378 O PRO A 182 72.460 30.758 40.893 1.00 14.02 O -ATOM 1379 CB PRO A 182 71.449 30.577 37.780 1.00 13.12 C -ATOM 1380 CG PRO A 182 71.428 31.358 36.543 1.00 13.74 C -ATOM 1381 CD PRO A 182 72.907 31.466 36.231 1.00 14.28 C -ATOM 1382 N ILE A 183 73.931 29.653 39.566 1.00 13.97 N -ATOM 1383 CA ILE A 183 74.515 28.855 40.653 1.00 13.20 C -ATOM 1384 C ILE A 183 75.497 29.720 41.433 1.00 13.54 C -ATOM 1385 O ILE A 183 75.721 29.508 42.621 1.00 13.35 O -ATOM 1386 CB ILE A 183 75.161 27.523 40.122 1.00 14.27 C -ATOM 1387 CG1 ILE A 183 74.161 26.355 40.257 1.00 13.51 C -ATOM 1388 CG2 ILE A 183 76.462 27.189 40.840 1.00 11.66 C -ATOM 1389 CD1 ILE A 183 72.803 26.557 39.541 1.00 11.26 C -ATOM 1390 N VAL A 184 76.048 30.735 40.774 1.00 14.82 N -ATOM 1391 CA VAL A 184 76.955 31.671 41.450 1.00 16.35 C -ATOM 1392 C VAL A 184 76.021 32.626 42.220 1.00 18.27 C -ATOM 1393 O VAL A 184 76.341 33.073 43.343 1.00 19.93 O -ATOM 1394 CB VAL A 184 77.910 32.439 40.453 1.00 14.59 C -ATOM 1395 CG1 VAL A 184 78.550 33.655 41.124 1.00 13.72 C -ATOM 1396 CG2 VAL A 184 79.025 31.513 39.979 1.00 11.04 C -ATOM 1397 N ALA A 185 74.832 32.866 41.665 1.00 17.21 N -ATOM 1398 CA ALA A 185 73.870 33.712 42.348 1.00 17.77 C -ATOM 1399 C ALA A 185 73.520 32.965 43.619 1.00 19.04 C -ATOM 1400 O ALA A 185 73.654 33.490 44.725 1.00 20.95 O -ATOM 1401 CB ALA A 185 72.641 33.905 41.518 1.00 15.98 C -ATOM 1402 N ASN A 186 73.179 31.695 43.476 1.00 19.07 N -ATOM 1403 CA ASN A 186 72.814 30.903 44.638 1.00 19.23 C -ATOM 1404 C ASN A 186 73.909 30.784 45.688 1.00 19.89 C -ATOM 1405 O ASN A 186 73.653 30.372 46.816 1.00 21.73 O -ATOM 1406 CB ASN A 186 72.299 29.542 44.200 1.00 18.21 C -ATOM 1407 CG ASN A 186 71.143 29.654 43.241 1.00 18.83 C -ATOM 1408 OD1 ASN A 186 70.694 30.745 42.913 1.00 19.77 O -ATOM 1409 ND2 ASN A 186 70.685 28.527 42.741 1.00 22.84 N -ATOM 1410 N HIS A 187 75.139 31.127 45.334 1.00 19.77 N -ATOM 1411 CA HIS A 187 76.203 31.076 46.325 1.00 18.58 C -ATOM 1412 C HIS A 187 76.224 32.430 47.039 1.00 18.64 C -ATOM 1413 O HIS A 187 76.552 32.506 48.235 1.00 19.44 O -ATOM 1414 CB HIS A 187 77.545 30.754 45.672 1.00 18.20 C -ATOM 1415 CG HIS A 187 77.765 29.295 45.432 1.00 15.45 C -ATOM 1416 ND1 HIS A 187 78.278 28.452 46.391 1.00 14.75 N -ATOM 1417 CD2 HIS A 187 77.557 28.527 44.337 1.00 17.08 C -ATOM 1418 CE1 HIS A 187 78.379 27.230 45.899 1.00 15.93 C -ATOM 1419 NE2 HIS A 187 77.948 27.247 44.652 1.00 14.38 N -ATOM 1420 N VAL A 188 75.847 33.483 46.302 1.00 18.72 N -ATOM 1421 CA VAL A 188 75.755 34.864 46.809 1.00 17.36 C -ATOM 1422 C VAL A 188 74.649 34.905 47.839 1.00 16.86 C -ATOM 1423 O VAL A 188 74.853 35.367 48.963 1.00 18.79 O -ATOM 1424 CB VAL A 188 75.372 35.867 45.670 1.00 18.08 C -ATOM 1425 CG1 VAL A 188 74.762 37.137 46.236 1.00 17.46 C -ATOM 1426 CG2 VAL A 188 76.590 36.192 44.795 1.00 18.75 C -ATOM 1427 N ILE A 189 73.473 34.418 47.449 1.00 16.18 N -ATOM 1428 CA ILE A 189 72.293 34.379 48.323 1.00 15.80 C -ATOM 1429 C ILE A 189 72.612 33.636 49.631 1.00 17.36 C -ATOM 1430 O ILE A 189 72.177 34.044 50.719 1.00 16.67 O -ATOM 1431 CB ILE A 189 71.097 33.726 47.562 1.00 14.63 C -ATOM 1432 CG1 ILE A 189 70.449 34.743 46.637 1.00 10.03 C -ATOM 1433 CG2 ILE A 189 70.062 33.124 48.501 1.00 12.46 C -ATOM 1434 CD1 ILE A 189 69.585 34.093 45.639 1.00 7.93 C -ATOM 1435 N ASN A 190 73.406 32.570 49.506 1.00 19.07 N -ATOM 1436 CA ASN A 190 73.840 31.749 50.628 1.00 20.16 C -ATOM 1437 C ASN A 190 74.566 32.606 51.623 1.00 21.21 C -ATOM 1438 O ASN A 190 74.257 32.545 52.807 1.00 20.96 O -ATOM 1439 CB ASN A 190 74.784 30.664 50.155 1.00 22.34 C -ATOM 1440 CG ASN A 190 74.277 29.294 50.470 1.00 25.99 C -ATOM 1441 OD1 ASN A 190 74.539 28.336 49.737 1.00 28.09 O -ATOM 1442 ND2 ASN A 190 73.539 29.174 51.570 1.00 27.58 N -ATOM 1443 N ALA A 191 75.554 33.372 51.141 1.00 22.47 N -ATOM 1444 CA ALA A 191 76.336 34.300 51.975 1.00 24.09 C -ATOM 1445 C ALA A 191 75.375 35.216 52.720 1.00 25.24 C -ATOM 1446 O ALA A 191 75.469 35.349 53.937 1.00 25.95 O -ATOM 1447 CB ALA A 191 77.303 35.151 51.117 1.00 23.33 C -ATOM 1448 N LYS A 192 74.447 35.840 51.994 1.00 26.39 N -ATOM 1449 CA LYS A 192 73.457 36.714 52.622 1.00 28.53 C -ATOM 1450 C LYS A 192 72.723 35.957 53.728 1.00 29.54 C -ATOM 1451 O LYS A 192 72.587 36.453 54.852 1.00 28.63 O -ATOM 1452 CB LYS A 192 72.467 37.223 51.576 1.00 29.65 C -ATOM 1453 CG LYS A 192 71.207 37.889 52.131 1.00 33.52 C -ATOM 1454 CD LYS A 192 71.483 38.910 53.235 1.00 35.98 C -ATOM 1455 CE LYS A 192 72.201 40.154 52.730 1.00 36.84 C -ATOM 1456 NZ LYS A 192 72.568 41.027 53.886 1.00 36.13 N -ATOM 1457 N ARG A 193 72.292 34.737 53.406 1.00 31.61 N -ATOM 1458 CA ARG A 193 71.584 33.863 54.347 1.00 33.20 C -ATOM 1459 C ARG A 193 72.434 33.687 55.600 1.00 31.72 C -ATOM 1460 O ARG A 193 71.942 33.813 56.715 1.00 32.27 O -ATOM 1461 CB ARG A 193 71.290 32.507 53.687 1.00 36.18 C -ATOM 1462 CG ARG A 193 70.466 31.540 54.530 1.00 40.53 C -ATOM 1463 CD ARG A 193 69.910 30.366 53.700 1.00 44.73 C -ATOM 1464 NE ARG A 193 69.115 29.442 54.521 1.00 48.09 N -ATOM 1465 CZ ARG A 193 67.807 29.223 54.366 1.00 50.62 C -ATOM 1466 NH1 ARG A 193 67.117 29.854 53.413 1.00 49.85 N -ATOM 1467 NH2 ARG A 193 67.177 28.388 55.191 1.00 51.26 N -ATOM 1468 N ASN A 194 73.728 33.487 55.392 1.00 30.29 N -ATOM 1469 CA ASN A 194 74.677 33.327 56.469 1.00 29.71 C -ATOM 1470 C ASN A 194 75.070 34.656 57.101 1.00 30.94 C -ATOM 1471 O ASN A 194 76.064 34.732 57.820 1.00 31.57 O -ATOM 1472 CB ASN A 194 75.908 32.601 55.962 1.00 29.22 C -ATOM 1473 CG ASN A 194 75.615 31.167 55.605 1.00 29.19 C -ATOM 1474 OD1 ASN A 194 74.649 30.591 56.105 1.00 31.40 O -ATOM 1475 ND2 ASN A 194 76.440 30.573 54.743 1.00 27.19 N -ATOM 1476 N GLY A 195 74.320 35.713 56.794 1.00 31.90 N -ATOM 1477 CA GLY A 195 74.571 37.012 57.390 1.00 32.51 C -ATOM 1478 C GLY A 195 75.548 37.957 56.727 1.00 34.01 C -ATOM 1479 O GLY A 195 75.912 38.986 57.303 1.00 35.65 O -ATOM 1480 N ALA A 196 75.993 37.638 55.525 1.00 34.05 N -ATOM 1481 CA ALA A 196 76.925 38.529 54.856 1.00 33.35 C -ATOM 1482 C ALA A 196 76.111 39.717 54.386 1.00 33.24 C -ATOM 1483 O ALA A 196 74.885 39.625 54.303 1.00 35.03 O -ATOM 1484 CB ALA A 196 77.544 37.836 53.663 1.00 32.67 C -ATOM 1485 N LYS A 197 76.769 40.851 54.171 1.00 31.96 N -ATOM 1486 CA LYS A 197 76.098 42.026 53.636 1.00 29.98 C -ATOM 1487 C LYS A 197 76.222 41.906 52.097 1.00 28.36 C -ATOM 1488 O LYS A 197 76.951 41.059 51.573 1.00 27.63 O -ATOM 1489 CB LYS A 197 76.790 43.296 54.117 1.00 32.80 C -ATOM 1490 CG LYS A 197 76.805 43.483 55.624 1.00 36.21 C -ATOM 1491 CD LYS A 197 77.843 44.548 56.030 1.00 40.13 C -ATOM 1492 CE LYS A 197 79.289 43.979 56.065 1.00 41.95 C -ATOM 1493 NZ LYS A 197 80.349 45.040 56.254 1.00 40.91 N -ATOM 1494 N ILE A 198 75.499 42.737 51.365 1.00 26.26 N -ATOM 1495 CA ILE A 198 75.549 42.695 49.911 1.00 22.50 C -ATOM 1496 C ILE A 198 75.396 44.098 49.369 1.00 21.57 C -ATOM 1497 O ILE A 198 74.528 44.866 49.831 1.00 21.05 O -ATOM 1498 CB ILE A 198 74.439 41.811 49.322 1.00 20.96 C -ATOM 1499 CG1 ILE A 198 74.597 40.372 49.811 1.00 19.85 C -ATOM 1500 CG2 ILE A 198 74.495 41.856 47.803 1.00 20.09 C -ATOM 1501 CD1 ILE A 198 73.703 39.392 49.091 1.00 19.96 C -ATOM 1502 N ILE A 199 76.282 44.442 48.438 1.00 20.26 N -ATOM 1503 CA ILE A 199 76.293 45.752 47.788 1.00 19.35 C -ATOM 1504 C ILE A 199 76.338 45.503 46.285 1.00 20.14 C -ATOM 1505 O ILE A 199 77.167 44.722 45.786 1.00 19.88 O -ATOM 1506 CB ILE A 199 77.542 46.599 48.180 1.00 17.65 C -ATOM 1507 CG1 ILE A 199 77.714 46.657 49.702 1.00 15.09 C -ATOM 1508 CG2 ILE A 199 77.435 47.998 47.588 1.00 15.96 C -ATOM 1509 CD1 ILE A 199 78.824 47.568 50.135 1.00 13.75 C -ATOM 1510 N VAL A 200 75.429 46.146 45.571 1.00 20.78 N -ATOM 1511 CA VAL A 200 75.357 45.998 44.127 1.00 22.43 C -ATOM 1512 C VAL A 200 75.557 47.366 43.484 1.00 22.96 C -ATOM 1513 O VAL A 200 74.868 48.332 43.832 1.00 23.15 O -ATOM 1514 CB VAL A 200 73.997 45.376 43.715 1.00 24.12 C -ATOM 1515 CG1 VAL A 200 73.901 45.232 42.181 1.00 23.97 C -ATOM 1516 CG2 VAL A 200 73.830 44.003 44.395 1.00 23.26 C -ATOM 1517 N CYS A 201 76.552 47.467 42.612 1.00 23.54 N -ATOM 1518 CA CYS A 201 76.850 48.725 41.935 1.00 25.67 C -ATOM 1519 C CYS A 201 76.551 48.559 40.468 1.00 24.82 C -ATOM 1520 O CYS A 201 77.389 48.074 39.707 1.00 25.47 O -ATOM 1521 CB CYS A 201 78.313 49.100 42.136 1.00 25.96 C -ATOM 1522 SG CYS A 201 78.755 49.149 43.877 1.00 33.24 S -ATOM 1523 N ASP A 202 75.367 49.005 40.070 1.00 24.47 N -ATOM 1524 CA ASP A 202 74.911 48.876 38.695 1.00 23.09 C -ATOM 1525 C ASP A 202 73.863 49.943 38.464 1.00 23.79 C -ATOM 1526 O ASP A 202 73.142 50.325 39.391 1.00 24.41 O -ATOM 1527 CB ASP A 202 74.235 47.499 38.545 1.00 22.04 C -ATOM 1528 CG ASP A 202 74.001 47.076 37.095 1.00 20.99 C -ATOM 1529 OD1 ASP A 202 73.387 47.816 36.302 1.00 18.91 O -ATOM 1530 OD2 ASP A 202 74.389 45.941 36.766 1.00 19.16 O -ATOM 1531 N PRO A 203 73.876 50.557 37.282 1.00 23.62 N -ATOM 1532 CA PRO A 203 72.876 51.574 36.970 1.00 24.44 C -ATOM 1533 C PRO A 203 71.454 50.973 37.122 1.00 25.16 C -ATOM 1534 O PRO A 203 70.635 51.517 37.878 1.00 26.48 O -ATOM 1535 CB PRO A 203 73.200 51.903 35.517 1.00 23.95 C -ATOM 1536 CG PRO A 203 74.676 51.871 35.519 1.00 22.86 C -ATOM 1537 CD PRO A 203 75.039 50.678 36.386 1.00 22.99 C -ATOM 1538 N ARG A 204 71.196 49.834 36.457 1.00 25.20 N -ATOM 1539 CA ARG A 204 69.899 49.135 36.503 1.00 25.38 C -ATOM 1540 C ARG A 204 69.588 48.502 37.858 1.00 26.99 C -ATOM 1541 O ARG A 204 70.486 48.131 38.623 1.00 26.31 O -ATOM 1542 CB ARG A 204 69.836 47.957 35.521 1.00 25.75 C -ATOM 1543 CG ARG A 204 70.206 48.197 34.090 1.00 27.09 C -ATOM 1544 CD ARG A 204 70.885 46.935 33.511 1.00 27.83 C -ATOM 1545 NE ARG A 204 69.961 45.879 33.082 1.00 29.49 N -ATOM 1546 CZ ARG A 204 70.283 44.589 32.937 1.00 28.58 C -ATOM 1547 NH1 ARG A 204 71.509 44.159 33.195 1.00 29.58 N -ATOM 1548 NH2 ARG A 204 69.388 43.728 32.471 1.00 27.91 N -ATOM 1549 N LYS A 205 68.296 48.252 38.070 1.00 29.23 N -ATOM 1550 CA LYS A 205 67.790 47.600 39.273 1.00 30.54 C -ATOM 1551 C LYS A 205 67.668 46.126 38.892 1.00 30.81 C -ATOM 1552 O LYS A 205 66.579 45.624 38.622 1.00 30.63 O -ATOM 1553 CB LYS A 205 66.417 48.154 39.637 1.00 31.73 C -ATOM 1554 CG LYS A 205 66.140 49.513 39.035 1.00 35.48 C -ATOM 1555 CD LYS A 205 64.748 49.991 39.342 1.00 38.37 C -ATOM 1556 CE LYS A 205 64.571 50.318 40.808 1.00 41.83 C -ATOM 1557 NZ LYS A 205 63.136 50.661 41.078 1.00 45.10 N -ATOM 1558 N ILE A 206 68.816 45.464 38.786 1.00 31.64 N -ATOM 1559 CA ILE A 206 68.884 44.049 38.420 1.00 31.54 C -ATOM 1560 C ILE A 206 68.338 43.199 39.568 1.00 32.93 C -ATOM 1561 O ILE A 206 68.300 43.654 40.712 1.00 34.15 O -ATOM 1562 CB ILE A 206 70.359 43.632 38.127 1.00 30.96 C -ATOM 1563 CG1 ILE A 206 71.263 44.056 39.289 1.00 28.71 C -ATOM 1564 CG2 ILE A 206 70.840 44.205 36.781 1.00 29.49 C -ATOM 1565 CD1 ILE A 206 72.721 43.881 39.015 1.00 28.94 C -ATOM 1566 N GLU A 207 67.966 41.955 39.282 1.00 33.75 N -ATOM 1567 CA GLU A 207 67.431 41.062 40.312 1.00 34.43 C -ATOM 1568 C GLU A 207 68.233 41.093 41.598 1.00 33.84 C -ATOM 1569 O GLU A 207 67.693 41.295 42.688 1.00 33.75 O -ATOM 1570 CB GLU A 207 67.356 39.628 39.786 1.00 36.60 C -ATOM 1571 CG GLU A 207 65.954 39.183 39.379 1.00 39.16 C -ATOM 1572 CD GLU A 207 65.019 39.009 40.571 1.00 40.61 C -ATOM 1573 OE1 GLU A 207 65.238 38.076 41.383 1.00 40.62 O -ATOM 1574 OE2 GLU A 207 64.058 39.804 40.682 1.00 43.30 O -ATOM 1575 N THR A 208 69.540 40.962 41.449 1.00 34.89 N -ATOM 1576 CA THR A 208 70.460 40.953 42.576 1.00 36.12 C -ATOM 1577 C THR A 208 70.197 42.083 43.586 1.00 38.01 C -ATOM 1578 O THR A 208 70.169 41.859 44.804 1.00 39.05 O -ATOM 1579 CB THR A 208 71.907 41.054 42.067 1.00 34.59 C -ATOM 1580 OG1 THR A 208 71.989 40.494 40.750 1.00 33.04 O -ATOM 1581 CG2 THR A 208 72.833 40.287 42.980 1.00 34.93 C -ATOM 1582 N ALA A 209 69.952 43.279 43.065 1.00 38.91 N -ATOM 1583 CA ALA A 209 69.710 44.461 43.884 1.00 40.67 C -ATOM 1584 C ALA A 209 68.613 44.343 44.956 1.00 41.86 C -ATOM 1585 O ALA A 209 68.659 45.048 45.976 1.00 41.65 O -ATOM 1586 CB ALA A 209 69.430 45.666 42.978 1.00 39.83 C -ATOM 1587 N ARG A 210 67.640 43.461 44.744 1.00 42.49 N -ATOM 1588 CA ARG A 210 66.557 43.337 45.711 1.00 43.05 C -ATOM 1589 C ARG A 210 67.029 42.834 47.061 1.00 41.81 C -ATOM 1590 O ARG A 210 66.524 43.258 48.096 1.00 41.14 O -ATOM 1591 CB ARG A 210 65.443 42.433 45.188 1.00 46.32 C -ATOM 1592 CG ARG A 210 64.065 42.799 45.749 1.00 48.65 C -ATOM 1593 CD ARG A 210 63.791 44.265 45.460 1.00 51.19 C -ATOM 1594 NE ARG A 210 62.473 44.713 45.885 1.00 52.70 N -ATOM 1595 CZ ARG A 210 62.121 45.993 45.975 1.00 54.08 C -ATOM 1596 NH1 ARG A 210 62.990 46.962 45.676 1.00 53.21 N -ATOM 1597 NH2 ARG A 210 60.887 46.305 46.353 1.00 55.38 N -ATOM 1598 N ILE A 211 67.994 41.922 47.038 1.00 40.51 N -ATOM 1599 CA ILE A 211 68.543 41.346 48.263 1.00 39.62 C -ATOM 1600 C ILE A 211 69.725 42.158 48.802 1.00 38.37 C -ATOM 1601 O ILE A 211 70.285 41.854 49.870 1.00 38.51 O -ATOM 1602 CB ILE A 211 68.983 39.891 48.027 1.00 39.83 C -ATOM 1603 CG1 ILE A 211 69.949 39.815 46.850 1.00 40.20 C -ATOM 1604 CG2 ILE A 211 67.769 39.029 47.746 1.00 40.26 C -ATOM 1605 CD1 ILE A 211 70.472 38.417 46.584 1.00 42.64 C -ATOM 1606 N ALA A 212 70.064 43.218 48.072 1.00 36.64 N -ATOM 1607 CA ALA A 212 71.175 44.092 48.421 1.00 33.35 C -ATOM 1608 C ALA A 212 70.879 45.135 49.482 1.00 31.47 C -ATOM 1609 O ALA A 212 69.932 45.921 49.382 1.00 31.46 O -ATOM 1610 CB ALA A 212 71.715 44.772 47.169 1.00 32.76 C -ATOM 1611 N ASP A 213 71.746 45.176 50.477 1.00 29.64 N -ATOM 1612 CA ASP A 213 71.636 46.148 51.540 1.00 28.18 C -ATOM 1613 C ASP A 213 71.794 47.537 50.925 1.00 27.37 C -ATOM 1614 O ASP A 213 71.114 48.475 51.312 1.00 27.51 O -ATOM 1615 CB ASP A 213 72.745 45.902 52.532 1.00 28.43 C -ATOM 1616 CG ASP A 213 72.739 44.505 53.027 1.00 28.98 C -ATOM 1617 OD1 ASP A 213 73.024 43.608 52.212 1.00 29.78 O -ATOM 1618 OD2 ASP A 213 72.409 44.301 54.215 1.00 31.10 O -ATOM 1619 N MET A 214 72.712 47.664 49.975 1.00 25.43 N -ATOM 1620 CA MET A 214 72.921 48.927 49.308 1.00 23.97 C -ATOM 1621 C MET A 214 72.949 48.779 47.789 1.00 23.87 C -ATOM 1622 O MET A 214 73.674 47.931 47.261 1.00 25.39 O -ATOM 1623 CB MET A 214 74.253 49.550 49.757 1.00 23.93 C -ATOM 1624 CG MET A 214 74.148 50.596 50.858 1.00 24.11 C -ATOM 1625 SD MET A 214 75.689 51.467 51.170 1.00 21.86 S -ATOM 1626 CE MET A 214 75.771 52.383 49.640 1.00 24.51 C -ATOM 1627 N HIS A 215 72.107 49.520 47.084 1.00 21.96 N -ATOM 1628 CA HIS A 215 72.196 49.506 45.632 1.00 22.76 C -ATOM 1629 C HIS A 215 72.783 50.890 45.263 1.00 23.86 C -ATOM 1630 O HIS A 215 72.283 51.935 45.695 1.00 24.58 O -ATOM 1631 CB HIS A 215 70.846 49.267 44.953 1.00 20.69 C -ATOM 1632 CG HIS A 215 70.895 49.388 43.452 1.00 19.24 C -ATOM 1633 ND1 HIS A 215 69.999 48.738 42.627 1.00 19.11 N -ATOM 1634 CD2 HIS A 215 71.719 50.083 42.636 1.00 18.28 C -ATOM 1635 CE1 HIS A 215 70.273 49.027 41.368 1.00 18.50 C -ATOM 1636 NE2 HIS A 215 71.310 49.840 41.342 1.00 19.62 N -ATOM 1637 N ILE A 216 73.877 50.881 44.507 1.00 24.76 N -ATOM 1638 CA ILE A 216 74.562 52.105 44.102 1.00 24.32 C -ATOM 1639 C ILE A 216 74.422 52.285 42.604 1.00 23.73 C -ATOM 1640 O ILE A 216 75.250 51.833 41.821 1.00 21.85 O -ATOM 1641 CB ILE A 216 76.055 52.064 44.532 1.00 24.89 C -ATOM 1642 CG1 ILE A 216 76.156 52.157 46.055 1.00 24.78 C -ATOM 1643 CG2 ILE A 216 76.851 53.188 43.894 1.00 23.84 C -ATOM 1644 CD1 ILE A 216 77.473 51.624 46.585 1.00 26.99 C -ATOM 1645 N ALA A 217 73.306 52.890 42.222 1.00 24.80 N -ATOM 1646 CA ALA A 217 72.990 53.138 40.821 1.00 25.44 C -ATOM 1647 C ALA A 217 73.862 54.207 40.144 1.00 24.82 C -ATOM 1648 O ALA A 217 73.356 55.270 39.756 1.00 24.62 O -ATOM 1649 CB ALA A 217 71.506 53.487 40.681 1.00 24.41 C -ATOM 1650 N LEU A 218 75.152 53.906 39.976 1.00 24.27 N -ATOM 1651 CA LEU A 218 76.081 54.840 39.331 1.00 24.79 C -ATOM 1652 C LEU A 218 75.724 55.078 37.847 1.00 24.50 C -ATOM 1653 O LEU A 218 75.377 54.159 37.108 1.00 24.83 O -ATOM 1654 CB LEU A 218 77.540 54.374 39.475 1.00 24.72 C -ATOM 1655 CG LEU A 218 78.088 53.297 38.535 1.00 25.30 C -ATOM 1656 CD1 LEU A 218 79.569 53.053 38.790 1.00 25.59 C -ATOM 1657 CD2 LEU A 218 77.300 52.020 38.703 1.00 25.45 C -ATOM 1658 N LYS A 219 75.784 56.328 37.422 1.00 24.67 N -ATOM 1659 CA LYS A 219 75.451 56.670 36.065 1.00 23.54 C -ATOM 1660 C LYS A 219 76.344 55.895 35.145 1.00 22.47 C -ATOM 1661 O LYS A 219 77.559 55.844 35.322 1.00 23.26 O -ATOM 1662 CB LYS A 219 75.654 58.155 35.807 1.00 24.85 C -ATOM 1663 CG LYS A 219 74.735 59.048 36.574 1.00 27.17 C -ATOM 1664 CD LYS A 219 74.990 60.494 36.196 1.00 29.19 C -ATOM 1665 CE LYS A 219 73.820 61.380 36.555 1.00 29.62 C -ATOM 1666 NZ LYS A 219 74.202 62.802 36.464 1.00 30.34 N -ATOM 1667 N ASN A 220 75.718 55.314 34.140 1.00 20.83 N -ATOM 1668 CA ASN A 220 76.398 54.542 33.134 1.00 19.66 C -ATOM 1669 C ASN A 220 77.731 55.202 32.758 1.00 19.42 C -ATOM 1670 O ASN A 220 77.796 56.401 32.526 1.00 19.18 O -ATOM 1671 CB ASN A 220 75.481 54.391 31.905 1.00 18.55 C -ATOM 1672 CG ASN A 220 74.254 53.509 32.179 1.00 18.84 C -ATOM 1673 OD1 ASN A 220 73.892 52.661 31.371 1.00 19.84 O -ATOM 1674 ND2 ASN A 220 73.616 53.707 33.318 1.00 17.56 N -ATOM 1675 N GLY A 221 78.801 54.414 32.822 1.00 19.58 N -ATOM 1676 CA GLY A 221 80.125 54.882 32.461 1.00 18.11 C -ATOM 1677 C GLY A 221 80.871 55.760 33.433 1.00 17.22 C -ATOM 1678 O GLY A 221 81.820 56.407 33.020 1.00 17.38 O -ATOM 1679 N SER A 222 80.496 55.753 34.709 1.00 16.47 N -ATOM 1680 CA SER A 222 81.153 56.582 35.731 1.00 14.81 C -ATOM 1681 C SER A 222 81.909 55.786 36.802 1.00 14.21 C -ATOM 1682 O SER A 222 82.163 56.304 37.888 1.00 13.28 O -ATOM 1683 CB SER A 222 80.081 57.408 36.440 1.00 14.83 C -ATOM 1684 OG SER A 222 79.205 56.563 37.171 1.00 15.05 O -ATOM 1685 N ASN A 223 82.286 54.551 36.479 1.00 15.39 N -ATOM 1686 CA ASN A 223 82.941 53.618 37.409 1.00 15.56 C -ATOM 1687 C ASN A 223 84.128 54.157 38.199 1.00 17.26 C -ATOM 1688 O ASN A 223 84.139 54.099 39.427 1.00 17.12 O -ATOM 1689 CB ASN A 223 83.355 52.318 36.688 1.00 15.74 C -ATOM 1690 CG ASN A 223 82.196 51.645 35.929 1.00 16.80 C -ATOM 1691 OD1 ASN A 223 81.751 50.544 36.285 1.00 13.20 O -ATOM 1692 ND2 ASN A 223 81.748 52.287 34.832 1.00 17.14 N -ATOM 1693 N ILE A 224 85.120 54.709 37.508 1.00 18.73 N -ATOM 1694 CA ILE A 224 86.305 55.222 38.183 1.00 18.78 C -ATOM 1695 C ILE A 224 85.970 56.401 39.095 1.00 19.45 C -ATOM 1696 O ILE A 224 86.621 56.625 40.111 1.00 19.74 O -ATOM 1697 CB ILE A 224 87.379 55.637 37.171 1.00 19.25 C -ATOM 1698 CG1 ILE A 224 87.640 54.494 36.175 1.00 19.57 C -ATOM 1699 CG2 ILE A 224 88.647 56.073 37.911 1.00 19.88 C -ATOM 1700 CD1 ILE A 224 88.877 53.656 36.436 1.00 19.63 C -ATOM 1701 N ALA A 225 84.961 57.168 38.711 1.00 19.93 N -ATOM 1702 CA ALA A 225 84.551 58.308 39.502 1.00 19.48 C -ATOM 1703 C ALA A 225 84.096 57.749 40.829 1.00 19.40 C -ATOM 1704 O ALA A 225 84.587 58.151 41.880 1.00 20.58 O -ATOM 1705 CB ALA A 225 83.413 59.057 38.810 1.00 19.45 C -ATOM 1706 N LEU A 226 83.202 56.774 40.780 1.00 18.90 N -ATOM 1707 CA LEU A 226 82.708 56.182 42.016 1.00 19.16 C -ATOM 1708 C LEU A 226 83.833 55.506 42.804 1.00 19.28 C -ATOM 1709 O LEU A 226 83.928 55.656 44.032 1.00 21.54 O -ATOM 1710 CB LEU A 226 81.606 55.152 41.742 1.00 17.51 C -ATOM 1711 CG LEU A 226 81.218 54.467 43.051 1.00 16.63 C -ATOM 1712 CD1 LEU A 226 80.606 55.506 43.942 1.00 14.93 C -ATOM 1713 CD2 LEU A 226 80.294 53.276 42.844 1.00 17.19 C -ATOM 1714 N LEU A 227 84.694 54.790 42.093 1.00 16.15 N -ATOM 1715 CA LEU A 227 85.765 54.060 42.726 1.00 14.71 C -ATOM 1716 C LEU A 227 86.772 54.908 43.521 1.00 14.58 C -ATOM 1717 O LEU A 227 86.994 54.681 44.720 1.00 14.47 O -ATOM 1718 CB LEU A 227 86.446 53.194 41.674 1.00 15.05 C -ATOM 1719 CG LEU A 227 85.608 51.972 41.302 1.00 15.50 C -ATOM 1720 CD1 LEU A 227 86.117 51.362 40.009 1.00 17.05 C -ATOM 1721 CD2 LEU A 227 85.648 50.964 42.450 1.00 13.52 C -ATOM 1722 N ASN A 228 87.357 55.903 42.870 1.00 12.97 N -ATOM 1723 CA ASN A 228 88.314 56.763 43.523 1.00 12.45 C -ATOM 1724 C ASN A 228 87.679 57.365 44.766 1.00 15.52 C -ATOM 1725 O ASN A 228 88.308 57.435 45.830 1.00 17.46 O -ATOM 1726 CB ASN A 228 88.764 57.846 42.566 1.00 9.62 C -ATOM 1727 CG ASN A 228 89.454 57.282 41.346 1.00 8.92 C -ATOM 1728 OD1 ASN A 228 89.950 56.159 41.359 1.00 7.32 O -ATOM 1729 ND2 ASN A 228 89.500 58.061 40.286 1.00 9.39 N -ATOM 1730 N ALA A 229 86.399 57.710 44.671 1.00 16.89 N -ATOM 1731 CA ALA A 229 85.705 58.291 45.808 1.00 17.59 C -ATOM 1732 C ALA A 229 85.619 57.279 46.975 1.00 18.45 C -ATOM 1733 O ALA A 229 85.695 57.664 48.150 1.00 17.65 O -ATOM 1734 CB ALA A 229 84.332 58.787 45.384 1.00 15.82 C -ATOM 1735 N MET A 230 85.510 55.988 46.665 1.00 19.20 N -ATOM 1736 CA MET A 230 85.449 54.989 47.738 1.00 22.22 C -ATOM 1737 C MET A 230 86.832 54.870 48.371 1.00 24.05 C -ATOM 1738 O MET A 230 86.969 54.763 49.609 1.00 23.16 O -ATOM 1739 CB MET A 230 84.972 53.626 47.220 1.00 21.80 C -ATOM 1740 CG MET A 230 83.520 53.639 46.752 1.00 21.49 C -ATOM 1741 SD MET A 230 82.912 52.043 46.190 1.00 20.85 S -ATOM 1742 CE MET A 230 82.478 51.252 47.758 1.00 16.47 C -ATOM 1743 N GLY A 231 87.850 54.909 47.503 1.00 25.52 N -ATOM 1744 CA GLY A 231 89.232 54.841 47.942 1.00 25.19 C -ATOM 1745 C GLY A 231 89.537 56.080 48.759 1.00 24.92 C -ATOM 1746 O GLY A 231 90.230 56.009 49.780 1.00 24.30 O -ATOM 1747 N HIS A 232 88.949 57.204 48.348 1.00 24.68 N -ATOM 1748 CA HIS A 232 89.129 58.480 49.042 1.00 25.12 C -ATOM 1749 C HIS A 232 88.669 58.332 50.479 1.00 24.46 C -ATOM 1750 O HIS A 232 89.371 58.723 51.397 1.00 24.06 O -ATOM 1751 CB HIS A 232 88.312 59.583 48.366 1.00 25.28 C -ATOM 1752 CG HIS A 232 88.343 60.898 49.089 1.00 24.69 C -ATOM 1753 ND1 HIS A 232 89.061 61.983 48.635 1.00 24.81 N -ATOM 1754 CD2 HIS A 232 87.740 61.303 50.232 1.00 24.07 C -ATOM 1755 CE1 HIS A 232 88.905 62.994 49.467 1.00 23.37 C -ATOM 1756 NE2 HIS A 232 88.106 62.608 50.445 1.00 23.08 N -ATOM 1757 N VAL A 233 87.474 57.781 50.654 1.00 24.98 N -ATOM 1758 CA VAL A 233 86.895 57.564 51.974 1.00 24.95 C -ATOM 1759 C VAL A 233 87.698 56.578 52.813 1.00 25.47 C -ATOM 1760 O VAL A 233 87.970 56.836 53.989 1.00 24.98 O -ATOM 1761 CB VAL A 233 85.432 57.068 51.863 1.00 25.06 C -ATOM 1762 CG1 VAL A 233 84.910 56.632 53.237 1.00 24.67 C -ATOM 1763 CG2 VAL A 233 84.541 58.175 51.265 1.00 23.33 C -ATOM 1764 N ILE A 234 88.081 55.453 52.211 1.00 26.62 N -ATOM 1765 CA ILE A 234 88.847 54.435 52.927 1.00 26.69 C -ATOM 1766 C ILE A 234 90.134 54.988 53.540 1.00 26.96 C -ATOM 1767 O ILE A 234 90.491 54.624 54.664 1.00 26.20 O -ATOM 1768 CB ILE A 234 89.104 53.185 52.037 1.00 26.26 C -ATOM 1769 CG1 ILE A 234 87.832 52.337 51.976 1.00 27.02 C -ATOM 1770 CG2 ILE A 234 90.204 52.323 52.610 1.00 26.53 C -ATOM 1771 CD1 ILE A 234 87.954 51.075 51.134 1.00 27.80 C -ATOM 1772 N ILE A 235 90.815 55.874 52.812 1.00 27.73 N -ATOM 1773 CA ILE A 235 92.047 56.494 53.297 1.00 27.92 C -ATOM 1774 C ILE A 235 91.723 57.666 54.218 1.00 29.55 C -ATOM 1775 O ILE A 235 92.282 57.766 55.310 1.00 30.43 O -ATOM 1776 CB ILE A 235 92.942 56.960 52.128 1.00 27.34 C -ATOM 1777 CG1 ILE A 235 93.570 55.732 51.437 1.00 28.86 C -ATOM 1778 CG2 ILE A 235 94.001 57.921 52.617 1.00 23.91 C -ATOM 1779 CD1 ILE A 235 94.315 56.015 50.126 1.00 26.15 C -ATOM 1780 N GLU A 236 90.782 58.515 53.802 1.00 31.13 N -ATOM 1781 CA GLU A 236 90.367 59.683 54.589 1.00 32.54 C -ATOM 1782 C GLU A 236 90.014 59.286 56.019 1.00 32.08 C -ATOM 1783 O GLU A 236 90.481 59.897 56.971 1.00 33.35 O -ATOM 1784 CB GLU A 236 89.152 60.379 53.957 1.00 34.82 C -ATOM 1785 CG GLU A 236 88.804 61.731 54.604 1.00 40.63 C -ATOM 1786 CD GLU A 236 87.488 62.337 54.098 1.00 43.51 C -ATOM 1787 OE1 GLU A 236 86.427 61.702 54.283 1.00 46.10 O -ATOM 1788 OE2 GLU A 236 87.503 63.457 53.531 1.00 44.65 O -ATOM 1789 N GLU A 237 89.203 58.246 56.162 1.00 31.59 N -ATOM 1790 CA GLU A 237 88.778 57.770 57.477 1.00 29.79 C -ATOM 1791 C GLU A 237 89.689 56.732 58.135 1.00 29.41 C -ATOM 1792 O GLU A 237 89.284 56.112 59.119 1.00 28.55 O -ATOM 1793 CB GLU A 237 87.368 57.192 57.400 1.00 28.13 C -ATOM 1794 CG GLU A 237 86.355 58.106 56.764 1.00 22.96 C -ATOM 1795 CD GLU A 237 84.950 57.724 57.101 1.00 19.55 C -ATOM 1796 OE1 GLU A 237 84.737 56.643 57.676 1.00 16.11 O -ATOM 1797 OE2 GLU A 237 84.052 58.527 56.802 1.00 18.30 O -ATOM 1798 N ASN A 238 90.875 56.506 57.564 1.00 28.99 N -ATOM 1799 CA ASN A 238 91.856 55.554 58.102 1.00 29.23 C -ATOM 1800 C ASN A 238 91.333 54.138 58.270 1.00 29.42 C -ATOM 1801 O ASN A 238 91.766 53.412 59.162 1.00 29.36 O -ATOM 1802 CB ASN A 238 92.395 56.046 59.447 1.00 30.40 C -ATOM 1803 CG ASN A 238 93.072 57.394 59.339 1.00 32.50 C -ATOM 1804 OD1 ASN A 238 93.882 57.623 58.435 1.00 33.29 O -ATOM 1805 ND2 ASN A 238 92.725 58.308 60.242 1.00 32.31 N -ATOM 1806 N LEU A 239 90.438 53.731 57.378 1.00 29.98 N -ATOM 1807 CA LEU A 239 89.829 52.408 57.438 1.00 29.50 C -ATOM 1808 C LEU A 239 90.621 51.335 56.718 1.00 29.91 C -ATOM 1809 O LEU A 239 90.277 50.150 56.787 1.00 29.59 O -ATOM 1810 CB LEU A 239 88.419 52.472 56.867 1.00 29.20 C -ATOM 1811 CG LEU A 239 87.452 53.358 57.647 1.00 30.65 C -ATOM 1812 CD1 LEU A 239 86.188 53.574 56.831 1.00 31.67 C -ATOM 1813 CD2 LEU A 239 87.125 52.729 58.998 1.00 30.71 C -ATOM 1814 N TYR A 240 91.674 51.749 56.017 1.00 30.04 N -ATOM 1815 CA TYR A 240 92.498 50.810 55.264 1.00 29.23 C -ATOM 1816 C TYR A 240 93.398 49.934 56.120 1.00 28.84 C -ATOM 1817 O TYR A 240 93.596 50.194 57.313 1.00 28.11 O -ATOM 1818 CB TYR A 240 93.320 51.522 54.185 1.00 28.93 C -ATOM 1819 CG TYR A 240 94.410 52.461 54.673 1.00 28.14 C -ATOM 1820 CD1 TYR A 240 94.125 53.781 55.008 1.00 27.55 C -ATOM 1821 CD2 TYR A 240 95.741 52.056 54.697 1.00 28.80 C -ATOM 1822 CE1 TYR A 240 95.131 54.666 55.340 1.00 26.17 C -ATOM 1823 CE2 TYR A 240 96.757 52.942 55.024 1.00 27.31 C -ATOM 1824 CZ TYR A 240 96.445 54.242 55.338 1.00 26.50 C -ATOM 1825 OH TYR A 240 97.458 55.129 55.597 1.00 25.95 O -ATOM 1826 N ASP A 241 93.973 48.919 55.477 1.00 27.84 N -ATOM 1827 CA ASP A 241 94.845 47.968 56.138 1.00 26.79 C -ATOM 1828 C ASP A 241 96.302 48.394 56.038 1.00 25.76 C -ATOM 1829 O ASP A 241 97.016 47.985 55.133 1.00 25.11 O -ATOM 1830 CB ASP A 241 94.655 46.583 55.530 1.00 26.92 C -ATOM 1831 CG ASP A 241 95.135 45.478 56.446 1.00 27.04 C -ATOM 1832 OD1 ASP A 241 96.124 45.674 57.173 1.00 27.84 O -ATOM 1833 OD2 ASP A 241 94.523 44.397 56.441 1.00 28.94 O -ATOM 1834 N LYS A 242 96.749 49.175 57.014 1.00 25.14 N -ATOM 1835 CA LYS A 242 98.116 49.664 57.047 1.00 23.91 C -ATOM 1836 C LYS A 242 99.159 48.550 57.000 1.00 23.11 C -ATOM 1837 O LYS A 242 99.945 48.486 56.067 1.00 22.67 O -ATOM 1838 CB LYS A 242 98.288 50.589 58.240 1.00 23.25 C -ATOM 1839 CG LYS A 242 97.497 51.850 58.005 1.00 26.34 C -ATOM 1840 CD LYS A 242 97.012 52.549 59.261 1.00 29.46 C -ATOM 1841 CE LYS A 242 96.007 53.645 58.878 1.00 28.39 C -ATOM 1842 NZ LYS A 242 95.718 54.557 60.006 1.00 27.52 N -ATOM 1843 N ALA A 243 99.114 47.629 57.953 1.00 22.35 N -ATOM 1844 CA ALA A 243 100.056 46.524 57.970 1.00 20.11 C -ATOM 1845 C ALA A 243 100.069 45.803 56.619 1.00 19.95 C -ATOM 1846 O ALA A 243 101.119 45.672 55.992 1.00 21.41 O -ATOM 1847 CB ALA A 243 99.700 45.566 59.063 1.00 19.00 C -ATOM 1848 N PHE A 244 98.908 45.363 56.150 1.00 17.97 N -ATOM 1849 CA PHE A 244 98.847 44.651 54.871 1.00 16.88 C -ATOM 1850 C PHE A 244 99.484 45.536 53.804 1.00 17.24 C -ATOM 1851 O PHE A 244 100.489 45.171 53.190 1.00 17.25 O -ATOM 1852 CB PHE A 244 97.394 44.310 54.510 1.00 15.54 C -ATOM 1853 CG PHE A 244 97.257 43.459 53.291 1.00 14.33 C -ATOM 1854 CD1 PHE A 244 97.555 42.112 53.336 1.00 12.42 C -ATOM 1855 CD2 PHE A 244 96.862 44.018 52.076 1.00 15.64 C -ATOM 1856 CE1 PHE A 244 97.473 41.333 52.197 1.00 13.56 C -ATOM 1857 CE2 PHE A 244 96.776 43.240 50.918 1.00 14.37 C -ATOM 1858 CZ PHE A 244 97.084 41.894 50.983 1.00 14.09 C -ATOM 1859 N VAL A 245 98.937 46.736 53.659 1.00 17.49 N -ATOM 1860 CA VAL A 245 99.430 47.710 52.698 1.00 17.35 C -ATOM 1861 C VAL A 245 100.949 47.818 52.731 1.00 16.30 C -ATOM 1862 O VAL A 245 101.603 47.593 51.723 1.00 17.07 O -ATOM 1863 CB VAL A 245 98.752 49.120 52.910 1.00 17.25 C -ATOM 1864 CG1 VAL A 245 99.519 50.222 52.188 1.00 14.61 C -ATOM 1865 CG2 VAL A 245 97.321 49.088 52.370 1.00 15.47 C -ATOM 1866 N ALA A 246 101.504 48.002 53.917 1.00 15.97 N -ATOM 1867 CA ALA A 246 102.940 48.170 54.070 1.00 15.69 C -ATOM 1868 C ALA A 246 103.745 46.940 53.788 1.00 16.45 C -ATOM 1869 O ALA A 246 104.807 47.029 53.185 1.00 17.66 O -ATOM 1870 CB ALA A 246 103.263 48.676 55.456 1.00 14.48 C -ATOM 1871 N SER A 247 103.216 45.784 54.165 1.00 18.19 N -ATOM 1872 CA SER A 247 103.942 44.532 54.004 1.00 18.41 C -ATOM 1873 C SER A 247 103.791 43.812 52.690 1.00 20.15 C -ATOM 1874 O SER A 247 104.724 43.110 52.269 1.00 23.49 O -ATOM 1875 CB SER A 247 103.578 43.558 55.125 1.00 17.05 C -ATOM 1876 OG SER A 247 102.182 43.319 55.179 1.00 16.69 O -ATOM 1877 N ARG A 248 102.648 43.986 52.035 1.00 18.03 N -ATOM 1878 CA ARG A 248 102.394 43.268 50.808 1.00 17.40 C -ATOM 1879 C ARG A 248 102.032 44.094 49.589 1.00 18.86 C -ATOM 1880 O ARG A 248 101.705 43.521 48.542 1.00 18.74 O -ATOM 1881 CB ARG A 248 101.285 42.242 51.053 1.00 17.49 C -ATOM 1882 CG ARG A 248 101.672 40.958 51.767 1.00 14.23 C -ATOM 1883 CD ARG A 248 100.406 40.184 52.080 1.00 14.89 C -ATOM 1884 NE ARG A 248 100.438 38.764 51.724 1.00 14.88 N -ATOM 1885 CZ ARG A 248 100.042 38.262 50.554 1.00 16.42 C -ATOM 1886 NH1 ARG A 248 99.590 39.055 49.595 1.00 15.88 N -ATOM 1887 NH2 ARG A 248 100.047 36.949 50.354 1.00 15.88 N -ATOM 1888 N THR A 249 102.041 45.421 49.699 1.00 20.23 N -ATOM 1889 CA THR A 249 101.693 46.245 48.541 1.00 20.33 C -ATOM 1890 C THR A 249 102.815 47.182 48.098 1.00 20.93 C -ATOM 1891 O THR A 249 103.825 47.326 48.793 1.00 21.17 O -ATOM 1892 CB THR A 249 100.343 47.011 48.739 1.00 20.40 C -ATOM 1893 OG1 THR A 249 100.553 48.261 49.409 1.00 19.53 O -ATOM 1894 CG2 THR A 249 99.361 46.158 49.538 1.00 18.82 C -ATOM 1895 N GLU A 250 102.663 47.738 46.892 1.00 21.60 N -ATOM 1896 CA GLU A 250 103.628 48.664 46.275 1.00 20.86 C -ATOM 1897 C GLU A 250 102.791 49.759 45.592 1.00 21.38 C -ATOM 1898 O GLU A 250 101.701 49.483 45.081 1.00 22.90 O -ATOM 1899 CB GLU A 250 104.437 47.894 45.232 1.00 20.35 C -ATOM 1900 CG GLU A 250 105.579 48.609 44.569 1.00 21.64 C -ATOM 1901 CD GLU A 250 106.847 47.734 44.525 1.00 24.47 C -ATOM 1902 OE1 GLU A 250 106.754 46.554 44.129 1.00 24.53 O -ATOM 1903 OE2 GLU A 250 107.941 48.211 44.915 1.00 25.92 O -ATOM 1904 N GLY A 251 103.240 51.006 45.648 1.00 20.61 N -ATOM 1905 CA GLY A 251 102.491 52.072 44.998 1.00 21.26 C -ATOM 1906 C GLY A 251 101.317 52.738 45.718 1.00 21.18 C -ATOM 1907 O GLY A 251 100.477 53.385 45.083 1.00 20.30 O -ATOM 1908 N PHE A 252 101.265 52.611 47.037 1.00 22.04 N -ATOM 1909 CA PHE A 252 100.203 53.233 47.806 1.00 24.01 C -ATOM 1910 C PHE A 252 100.231 54.754 47.647 1.00 27.33 C -ATOM 1911 O PHE A 252 99.256 55.349 47.192 1.00 29.40 O -ATOM 1912 CB PHE A 252 100.333 52.873 49.284 1.00 22.43 C -ATOM 1913 CG PHE A 252 99.323 53.550 50.166 1.00 21.99 C -ATOM 1914 CD1 PHE A 252 97.969 53.258 50.045 1.00 21.93 C -ATOM 1915 CD2 PHE A 252 99.727 54.474 51.128 1.00 23.55 C -ATOM 1916 CE1 PHE A 252 97.021 53.867 50.869 1.00 23.19 C -ATOM 1917 CE2 PHE A 252 98.789 55.097 51.966 1.00 24.79 C -ATOM 1918 CZ PHE A 252 97.426 54.791 51.833 1.00 25.02 C -ATOM 1919 N GLU A 253 101.352 55.380 48.002 1.00 28.84 N -ATOM 1920 CA GLU A 253 101.476 56.828 47.914 1.00 30.78 C -ATOM 1921 C GLU A 253 100.919 57.441 46.636 1.00 31.46 C -ATOM 1922 O GLU A 253 100.051 58.331 46.686 1.00 31.76 O -ATOM 1923 CB GLU A 253 102.932 57.283 48.078 1.00 32.72 C -ATOM 1924 CG GLU A 253 103.610 56.861 49.379 1.00 37.76 C -ATOM 1925 CD GLU A 253 102.759 57.126 50.620 1.00 39.57 C -ATOM 1926 OE1 GLU A 253 102.169 58.224 50.735 1.00 39.71 O -ATOM 1927 OE2 GLU A 253 102.690 56.225 51.487 1.00 41.03 O -ATOM 1928 N GLU A 254 101.397 56.966 45.493 1.00 30.88 N -ATOM 1929 CA GLU A 254 100.951 57.529 44.232 1.00 31.97 C -ATOM 1930 C GLU A 254 99.442 57.381 44.042 1.00 31.34 C -ATOM 1931 O GLU A 254 98.796 58.247 43.441 1.00 31.01 O -ATOM 1932 CB GLU A 254 101.779 56.974 43.054 1.00 34.67 C -ATOM 1933 CG GLU A 254 103.311 57.346 43.076 1.00 39.39 C -ATOM 1934 CD GLU A 254 103.638 58.849 42.722 1.00 43.39 C -ATOM 1935 OE1 GLU A 254 102.882 59.786 43.119 1.00 44.62 O -ATOM 1936 OE2 GLU A 254 104.683 59.097 42.061 1.00 42.04 O -ATOM 1937 N TYR A 255 98.874 56.329 44.627 1.00 31.44 N -ATOM 1938 CA TYR A 255 97.434 56.070 44.549 1.00 31.14 C -ATOM 1939 C TYR A 255 96.728 57.047 45.473 1.00 32.01 C -ATOM 1940 O TYR A 255 95.698 57.603 45.126 1.00 32.57 O -ATOM 1941 CB TYR A 255 97.118 54.629 44.984 1.00 28.69 C -ATOM 1942 CG TYR A 255 95.638 54.310 45.124 1.00 27.03 C -ATOM 1943 CD1 TYR A 255 94.878 53.967 44.013 1.00 26.25 C -ATOM 1944 CD2 TYR A 255 95.000 54.352 46.366 1.00 25.45 C -ATOM 1945 CE1 TYR A 255 93.531 53.679 44.129 1.00 25.30 C -ATOM 1946 CE2 TYR A 255 93.640 54.064 46.490 1.00 24.47 C -ATOM 1947 CZ TYR A 255 92.911 53.731 45.364 1.00 24.89 C -ATOM 1948 OH TYR A 255 91.559 53.457 45.438 1.00 25.02 O -ATOM 1949 N ARG A 256 97.312 57.252 46.647 1.00 34.04 N -ATOM 1950 CA ARG A 256 96.789 58.153 47.672 1.00 35.46 C -ATOM 1951 C ARG A 256 96.515 59.531 47.057 1.00 35.71 C -ATOM 1952 O ARG A 256 95.433 60.106 47.255 1.00 35.85 O -ATOM 1953 CB ARG A 256 97.820 58.252 48.803 1.00 37.76 C -ATOM 1954 CG ARG A 256 97.385 58.948 50.077 1.00 40.57 C -ATOM 1955 CD ARG A 256 98.579 59.124 51.051 1.00 43.97 C -ATOM 1956 NE ARG A 256 99.422 60.303 50.781 1.00 46.83 N -ATOM 1957 CZ ARG A 256 100.371 60.386 49.842 1.00 47.79 C -ATOM 1958 NH1 ARG A 256 100.628 59.361 49.042 1.00 46.84 N -ATOM 1959 NH2 ARG A 256 101.089 61.498 49.715 1.00 47.58 N -ATOM 1960 N LYS A 257 97.470 60.024 46.262 1.00 35.48 N -ATOM 1961 CA LYS A 257 97.340 61.324 45.602 1.00 34.33 C -ATOM 1962 C LYS A 257 96.086 61.468 44.744 1.00 34.36 C -ATOM 1963 O LYS A 257 95.316 62.419 44.930 1.00 35.57 O -ATOM 1964 CB LYS A 257 98.549 61.623 44.719 1.00 33.54 C -ATOM 1965 CG LYS A 257 99.720 62.264 45.419 1.00 35.18 C -ATOM 1966 CD LYS A 257 100.578 61.249 46.172 1.00 37.36 C -ATOM 1967 CE LYS A 257 101.945 61.835 46.543 1.00 36.56 C -ATOM 1968 NZ LYS A 257 102.704 60.935 47.446 1.00 36.67 N -ATOM 1969 N ILE A 258 95.872 60.534 43.815 1.00 32.58 N -ATOM 1970 CA ILE A 258 94.719 60.623 42.920 1.00 31.23 C -ATOM 1971 C ILE A 258 93.363 60.492 43.598 1.00 30.54 C -ATOM 1972 O ILE A 258 92.355 60.953 43.060 1.00 30.22 O -ATOM 1973 CB ILE A 258 94.782 59.628 41.747 1.00 30.58 C -ATOM 1974 CG1 ILE A 258 96.188 59.553 41.193 1.00 30.04 C -ATOM 1975 CG2 ILE A 258 93.929 60.138 40.602 1.00 30.09 C -ATOM 1976 CD1 ILE A 258 96.269 58.733 39.941 1.00 32.91 C -ATOM 1977 N VAL A 259 93.311 59.859 44.761 1.00 29.41 N -ATOM 1978 CA VAL A 259 92.026 59.739 45.427 1.00 29.68 C -ATOM 1979 C VAL A 259 91.748 60.950 46.324 1.00 31.11 C -ATOM 1980 O VAL A 259 90.586 61.338 46.538 1.00 30.19 O -ATOM 1981 CB VAL A 259 91.856 58.389 46.182 1.00 26.70 C -ATOM 1982 CG1 VAL A 259 92.051 57.233 45.221 1.00 25.24 C -ATOM 1983 CG2 VAL A 259 92.787 58.293 47.359 1.00 26.32 C -ATOM 1984 N GLU A 260 92.817 61.593 46.793 1.00 32.73 N -ATOM 1985 CA GLU A 260 92.673 62.761 47.668 1.00 33.37 C -ATOM 1986 C GLU A 260 91.786 63.765 46.962 1.00 32.00 C -ATOM 1987 O GLU A 260 90.930 64.399 47.568 1.00 31.96 O -ATOM 1988 CB GLU A 260 94.036 63.403 47.985 1.00 34.54 C -ATOM 1989 CG GLU A 260 93.990 64.230 49.274 1.00 37.56 C -ATOM 1990 CD GLU A 260 95.188 65.134 49.500 1.00 38.60 C -ATOM 1991 OE1 GLU A 260 96.134 65.120 48.684 1.00 40.54 O -ATOM 1992 OE2 GLU A 260 95.170 65.870 50.507 1.00 38.75 O -ATOM 1993 N GLY A 261 91.973 63.847 45.653 1.00 31.76 N -ATOM 1994 CA GLY A 261 91.199 64.753 44.841 1.00 30.78 C -ATOM 1995 C GLY A 261 89.765 64.311 44.815 1.00 30.13 C -ATOM 1996 O GLY A 261 88.895 65.041 45.262 1.00 31.91 O -ATOM 1997 N TYR A 262 89.530 63.086 44.365 1.00 29.66 N -ATOM 1998 CA TYR A 262 88.181 62.540 44.260 1.00 28.86 C -ATOM 1999 C TYR A 262 87.413 62.380 45.566 1.00 28.71 C -ATOM 2000 O TYR A 262 87.249 61.273 46.062 1.00 30.30 O -ATOM 2001 CB TYR A 262 88.212 61.203 43.531 1.00 27.27 C -ATOM 2002 CG TYR A 262 88.567 61.298 42.080 1.00 25.10 C -ATOM 2003 CD1 TYR A 262 89.870 61.557 41.677 1.00 25.01 C -ATOM 2004 CD2 TYR A 262 87.608 61.073 41.103 1.00 23.85 C -ATOM 2005 CE1 TYR A 262 90.215 61.580 40.320 1.00 25.67 C -ATOM 2006 CE2 TYR A 262 87.935 61.096 39.752 1.00 23.68 C -ATOM 2007 CZ TYR A 262 89.238 61.346 39.365 1.00 24.59 C -ATOM 2008 OH TYR A 262 89.553 61.359 38.028 1.00 24.63 O -ATOM 2009 N THR A 263 86.934 63.485 46.113 1.00 28.84 N -ATOM 2010 CA THR A 263 86.154 63.466 47.342 1.00 29.42 C -ATOM 2011 C THR A 263 84.729 63.016 46.971 1.00 29.53 C -ATOM 2012 O THR A 263 84.268 63.235 45.857 1.00 30.12 O -ATOM 2013 CB THR A 263 86.120 64.881 47.974 1.00 30.09 C -ATOM 2014 OG1 THR A 263 85.338 65.765 47.158 1.00 32.06 O -ATOM 2015 CG2 THR A 263 87.524 65.452 48.050 1.00 29.74 C -ATOM 2016 N PRO A 264 84.001 62.413 47.905 1.00 29.77 N -ATOM 2017 CA PRO A 264 82.640 61.967 47.594 1.00 30.60 C -ATOM 2018 C PRO A 264 81.844 63.050 46.875 1.00 30.50 C -ATOM 2019 O PRO A 264 81.187 62.807 45.858 1.00 30.19 O -ATOM 2020 CB PRO A 264 82.056 61.692 48.982 1.00 31.50 C -ATOM 2021 CG PRO A 264 83.243 61.207 49.743 1.00 32.40 C -ATOM 2022 CD PRO A 264 84.327 62.177 49.321 1.00 31.36 C -ATOM 2023 N GLU A 265 81.973 64.269 47.383 1.00 31.18 N -ATOM 2024 CA GLU A 265 81.272 65.414 46.838 1.00 30.39 C -ATOM 2025 C GLU A 265 81.618 65.756 45.402 1.00 30.72 C -ATOM 2026 O GLU A 265 80.722 65.978 44.604 1.00 31.30 O -ATOM 2027 CB GLU A 265 81.467 66.618 47.734 1.00 29.48 C -ATOM 2028 CG GLU A 265 80.746 66.506 49.066 1.00 31.87 C -ATOM 2029 CD GLU A 265 81.424 65.572 50.078 1.00 33.16 C -ATOM 2030 OE1 GLU A 265 82.662 65.362 50.001 1.00 33.76 O -ATOM 2031 OE2 GLU A 265 80.707 65.082 50.978 1.00 31.66 O -ATOM 2032 N SER A 266 82.899 65.753 45.050 1.00 31.04 N -ATOM 2033 CA SER A 266 83.286 66.085 43.687 1.00 32.28 C -ATOM 2034 C SER A 266 82.741 65.072 42.694 1.00 35.11 C -ATOM 2035 O SER A 266 82.713 65.327 41.484 1.00 36.35 O -ATOM 2036 CB SER A 266 84.806 66.181 43.558 1.00 31.48 C -ATOM 2037 OG SER A 266 85.429 64.939 43.811 1.00 31.01 O -ATOM 2038 N VAL A 267 82.244 63.948 43.210 1.00 37.47 N -ATOM 2039 CA VAL A 267 81.716 62.889 42.357 1.00 38.58 C -ATOM 2040 C VAL A 267 80.198 62.918 42.146 1.00 38.70 C -ATOM 2041 O VAL A 267 79.718 62.525 41.083 1.00 39.17 O -ATOM 2042 CB VAL A 267 82.161 61.521 42.868 1.00 38.77 C -ATOM 2043 CG1 VAL A 267 82.100 60.525 41.763 1.00 40.07 C -ATOM 2044 CG2 VAL A 267 83.580 61.598 43.368 1.00 40.39 C -ATOM 2045 N GLU A 268 79.461 63.369 43.157 1.00 39.67 N -ATOM 2046 CA GLU A 268 77.990 63.498 43.136 1.00 41.45 C -ATOM 2047 C GLU A 268 77.291 63.457 41.762 1.00 41.81 C -ATOM 2048 O GLU A 268 76.488 62.582 41.481 1.00 42.19 O -ATOM 2049 CB GLU A 268 77.591 64.827 43.795 1.00 42.23 C -ATOM 2050 CG GLU A 268 76.517 64.744 44.844 1.00 42.30 C -ATOM 2051 CD GLU A 268 77.087 64.574 46.227 1.00 43.21 C -ATOM 2052 OE1 GLU A 268 78.196 64.012 46.325 1.00 45.70 O -ATOM 2053 OE2 GLU A 268 76.433 64.986 47.216 1.00 42.88 O -ATOM 2054 N ASP A 269 77.590 64.432 40.917 1.00 42.25 N -ATOM 2055 CA ASP A 269 76.959 64.527 39.610 1.00 42.45 C -ATOM 2056 C ASP A 269 77.390 63.497 38.568 1.00 41.95 C -ATOM 2057 O ASP A 269 76.545 62.989 37.830 1.00 42.81 O -ATOM 2058 CB ASP A 269 77.090 65.959 39.064 1.00 42.81 C -ATOM 2059 CG ASP A 269 76.425 66.993 39.975 1.00 44.37 C -ATOM 2060 OD1 ASP A 269 75.750 66.592 40.962 1.00 43.52 O -ATOM 2061 OD2 ASP A 269 76.582 68.210 39.709 1.00 44.90 O -ATOM 2062 N ILE A 270 78.689 63.207 38.475 1.00 40.35 N -ATOM 2063 CA ILE A 270 79.158 62.231 37.495 1.00 38.06 C -ATOM 2064 C ILE A 270 78.607 60.855 37.838 1.00 37.00 C -ATOM 2065 O ILE A 270 78.029 60.194 36.986 1.00 36.99 O -ATOM 2066 CB ILE A 270 80.713 62.183 37.388 1.00 38.21 C -ATOM 2067 CG1 ILE A 270 81.237 63.416 36.641 1.00 37.43 C -ATOM 2068 CG2 ILE A 270 81.171 60.913 36.656 1.00 37.71 C -ATOM 2069 CD1 ILE A 270 82.738 63.364 36.333 1.00 35.11 C -ATOM 2070 N THR A 271 78.770 60.427 39.083 1.00 35.63 N -ATOM 2071 CA THR A 271 78.255 59.119 39.465 1.00 35.37 C -ATOM 2072 C THR A 271 76.752 59.106 39.573 1.00 33.56 C -ATOM 2073 O THR A 271 76.132 58.072 39.432 1.00 33.09 O -ATOM 2074 CB THR A 271 78.810 58.591 40.841 1.00 36.74 C -ATOM 2075 OG1 THR A 271 78.607 59.551 41.896 1.00 35.56 O -ATOM 2076 CG2 THR A 271 80.266 58.216 40.723 1.00 37.11 C -ATOM 2077 N GLY A 272 76.169 60.255 39.856 1.00 33.25 N -ATOM 2078 CA GLY A 272 74.737 60.302 40.049 1.00 32.70 C -ATOM 2079 C GLY A 272 74.438 59.657 41.401 1.00 32.40 C -ATOM 2080 O GLY A 272 73.296 59.277 41.678 1.00 33.89 O -ATOM 2081 N VAL A 273 75.465 59.498 42.234 1.00 30.22 N -ATOM 2082 CA VAL A 273 75.289 58.910 43.558 1.00 30.57 C -ATOM 2083 C VAL A 273 75.691 59.957 44.600 1.00 31.12 C -ATOM 2084 O VAL A 273 76.596 60.768 44.370 1.00 32.90 O -ATOM 2085 CB VAL A 273 76.118 57.603 43.733 1.00 29.83 C -ATOM 2086 CG1 VAL A 273 75.880 57.001 45.104 1.00 28.06 C -ATOM 2087 CG2 VAL A 273 75.735 56.592 42.661 1.00 29.69 C -ATOM 2088 N SER A 274 75.028 59.947 45.748 1.00 30.47 N -ATOM 2089 CA SER A 274 75.314 60.937 46.772 1.00 30.10 C -ATOM 2090 C SER A 274 76.518 60.617 47.628 1.00 30.14 C -ATOM 2091 O SER A 274 76.686 59.487 48.089 1.00 30.51 O -ATOM 2092 CB SER A 274 74.103 61.136 47.664 1.00 29.51 C -ATOM 2093 OG SER A 274 73.823 59.941 48.357 1.00 31.37 O -ATOM 2094 N ALA A 275 77.281 61.661 47.932 1.00 29.98 N -ATOM 2095 CA ALA A 275 78.479 61.558 48.747 1.00 29.88 C -ATOM 2096 C ALA A 275 78.306 60.608 49.922 1.00 30.09 C -ATOM 2097 O ALA A 275 79.223 59.850 50.249 1.00 30.90 O -ATOM 2098 CB ALA A 275 78.891 62.926 49.230 1.00 28.95 C -ATOM 2099 N SER A 276 77.114 60.610 50.510 1.00 31.04 N -ATOM 2100 CA SER A 276 76.809 59.748 51.651 1.00 32.49 C -ATOM 2101 C SER A 276 76.906 58.280 51.301 1.00 31.65 C -ATOM 2102 O SER A 276 77.662 57.545 51.938 1.00 31.71 O -ATOM 2103 CB SER A 276 75.415 60.033 52.220 1.00 33.99 C -ATOM 2104 OG SER A 276 74.396 59.788 51.261 1.00 37.95 O -ATOM 2105 N GLU A 277 76.128 57.849 50.312 1.00 31.20 N -ATOM 2106 CA GLU A 277 76.153 56.453 49.894 1.00 31.58 C -ATOM 2107 C GLU A 277 77.605 56.042 49.666 1.00 30.71 C -ATOM 2108 O GLU A 277 78.050 55.033 50.209 1.00 29.68 O -ATOM 2109 CB GLU A 277 75.385 56.248 48.596 1.00 32.84 C -ATOM 2110 CG GLU A 277 73.907 56.461 48.659 1.00 34.26 C -ATOM 2111 CD GLU A 277 73.261 56.248 47.288 1.00 37.49 C -ATOM 2112 OE1 GLU A 277 73.231 55.080 46.810 1.00 38.46 O -ATOM 2113 OE2 GLU A 277 72.816 57.253 46.676 1.00 37.08 O -ATOM 2114 N ILE A 278 78.341 56.852 48.895 1.00 30.64 N -ATOM 2115 CA ILE A 278 79.753 56.591 48.592 1.00 29.88 C -ATOM 2116 C ILE A 278 80.537 56.335 49.869 1.00 30.86 C -ATOM 2117 O ILE A 278 81.337 55.390 49.923 1.00 29.10 O -ATOM 2118 CB ILE A 278 80.413 57.750 47.833 1.00 28.18 C -ATOM 2119 CG1 ILE A 278 79.770 57.924 46.457 1.00 26.99 C -ATOM 2120 CG2 ILE A 278 81.878 57.473 47.652 1.00 28.65 C -ATOM 2121 CD1 ILE A 278 80.482 58.936 45.571 1.00 24.25 C -ATOM 2122 N ARG A 279 80.261 57.154 50.892 1.00 32.68 N -ATOM 2123 CA ARG A 279 80.890 57.047 52.217 1.00 34.97 C -ATOM 2124 C ARG A 279 80.475 55.775 52.952 1.00 35.56 C -ATOM 2125 O ARG A 279 81.306 55.061 53.495 1.00 35.85 O -ATOM 2126 CB ARG A 279 80.492 58.221 53.106 1.00 36.29 C -ATOM 2127 CG ARG A 279 81.235 59.513 52.883 1.00 38.75 C -ATOM 2128 CD ARG A 279 80.846 60.498 53.980 1.00 40.34 C -ATOM 2129 NE ARG A 279 80.904 61.886 53.530 1.00 43.42 N -ATOM 2130 CZ ARG A 279 81.989 62.470 53.023 1.00 44.95 C -ATOM 2131 NH1 ARG A 279 83.131 61.798 52.887 1.00 44.52 N -ATOM 2132 NH2 ARG A 279 81.935 63.744 52.665 1.00 45.91 N -ATOM 2133 N GLN A 280 79.174 55.545 53.019 1.00 35.55 N -ATOM 2134 CA GLN A 280 78.612 54.384 53.676 1.00 36.40 C -ATOM 2135 C GLN A 280 79.005 53.079 52.989 1.00 35.83 C -ATOM 2136 O GLN A 280 79.072 52.033 53.636 1.00 36.39 O -ATOM 2137 CB GLN A 280 77.087 54.521 53.699 1.00 39.76 C -ATOM 2138 CG GLN A 280 76.316 53.244 54.046 1.00 43.24 C -ATOM 2139 CD GLN A 280 74.808 53.434 54.002 1.00 44.86 C -ATOM 2140 OE1 GLN A 280 74.051 52.461 54.050 1.00 46.34 O -ATOM 2141 NE2 GLN A 280 74.360 54.691 53.912 1.00 45.69 N -ATOM 2142 N ALA A 281 79.249 53.135 51.682 1.00 34.63 N -ATOM 2143 CA ALA A 281 79.616 51.943 50.915 1.00 32.95 C -ATOM 2144 C ALA A 281 81.079 51.595 51.144 1.00 31.72 C -ATOM 2145 O ALA A 281 81.417 50.446 51.418 1.00 31.23 O -ATOM 2146 CB ALA A 281 79.352 52.158 49.429 1.00 31.76 C -ATOM 2147 N ALA A 282 81.944 52.600 51.027 1.00 30.93 N -ATOM 2148 CA ALA A 282 83.374 52.406 51.223 1.00 28.58 C -ATOM 2149 C ALA A 282 83.553 51.988 52.668 1.00 27.02 C -ATOM 2150 O ALA A 282 84.248 51.020 52.961 1.00 26.90 O -ATOM 2151 CB ALA A 282 84.124 53.694 50.928 1.00 28.75 C -ATOM 2152 N ARG A 283 82.864 52.696 53.556 1.00 25.79 N -ATOM 2153 CA ARG A 283 82.887 52.415 54.984 1.00 25.16 C -ATOM 2154 C ARG A 283 82.455 50.972 55.216 1.00 24.74 C -ATOM 2155 O ARG A 283 83.076 50.246 55.989 1.00 25.32 O -ATOM 2156 CB ARG A 283 81.892 53.314 55.723 1.00 25.91 C -ATOM 2157 CG ARG A 283 82.345 54.715 56.075 1.00 26.93 C -ATOM 2158 CD ARG A 283 81.704 55.062 57.406 1.00 30.14 C -ATOM 2159 NE ARG A 283 81.870 56.442 57.831 1.00 31.57 N -ATOM 2160 CZ ARG A 283 81.368 57.487 57.187 1.00 34.22 C -ATOM 2161 NH1 ARG A 283 80.676 57.324 56.068 1.00 34.70 N -ATOM 2162 NH2 ARG A 283 81.506 58.700 57.705 1.00 36.45 N -ATOM 2163 N MET A 284 81.375 50.571 54.556 1.00 23.43 N -ATOM 2164 CA MET A 284 80.860 49.226 54.707 1.00 23.90 C -ATOM 2165 C MET A 284 81.887 48.202 54.236 1.00 23.90 C -ATOM 2166 O MET A 284 82.337 47.371 55.025 1.00 25.22 O -ATOM 2167 CB MET A 284 79.520 49.048 53.955 1.00 24.99 C -ATOM 2168 CG MET A 284 78.466 48.217 54.733 1.00 27.34 C -ATOM 2169 SD MET A 284 76.968 47.679 53.840 1.00 28.58 S -ATOM 2170 CE MET A 284 75.864 49.048 54.217 1.00 28.21 C -ATOM 2171 N TYR A 285 82.293 48.298 52.971 1.00 23.36 N -ATOM 2172 CA TYR A 285 83.260 47.373 52.375 1.00 22.84 C -ATOM 2173 C TYR A 285 84.505 47.171 53.232 1.00 22.82 C -ATOM 2174 O TYR A 285 84.869 46.042 53.549 1.00 21.44 O -ATOM 2175 CB TYR A 285 83.651 47.845 50.970 1.00 21.62 C -ATOM 2176 CG TYR A 285 84.747 47.020 50.331 1.00 21.39 C -ATOM 2177 CD1 TYR A 285 84.492 45.736 49.846 1.00 20.54 C -ATOM 2178 CD2 TYR A 285 86.052 47.514 50.247 1.00 22.33 C -ATOM 2179 CE1 TYR A 285 85.510 44.962 49.300 1.00 22.17 C -ATOM 2180 CE2 TYR A 285 87.083 46.749 49.703 1.00 23.00 C -ATOM 2181 CZ TYR A 285 86.812 45.473 49.235 1.00 23.40 C -ATOM 2182 OH TYR A 285 87.852 44.707 48.749 1.00 22.80 O -ATOM 2183 N ALA A 286 85.128 48.280 53.618 1.00 24.60 N -ATOM 2184 CA ALA A 286 86.335 48.284 54.440 1.00 25.21 C -ATOM 2185 C ALA A 286 86.101 47.718 55.833 1.00 25.89 C -ATOM 2186 O ALA A 286 87.048 47.301 56.502 1.00 27.07 O -ATOM 2187 CB ALA A 286 86.872 49.697 54.559 1.00 25.02 C -ATOM 2188 N GLN A 287 84.853 47.718 56.288 1.00 25.20 N -ATOM 2189 CA GLN A 287 84.567 47.216 57.615 1.00 23.95 C -ATOM 2190 C GLN A 287 84.361 45.706 57.720 1.00 22.83 C -ATOM 2191 O GLN A 287 84.579 45.125 58.787 1.00 23.03 O -ATOM 2192 CB GLN A 287 83.410 47.991 58.238 1.00 25.41 C -ATOM 2193 CG GLN A 287 83.825 48.892 59.413 1.00 30.79 C -ATOM 2194 CD GLN A 287 84.408 50.252 59.004 1.00 34.09 C -ATOM 2195 OE1 GLN A 287 83.884 51.316 59.389 1.00 33.40 O -ATOM 2196 NE2 GLN A 287 85.521 50.226 58.265 1.00 35.30 N -ATOM 2197 N ALA A 288 83.972 45.060 56.626 1.00 21.67 N -ATOM 2198 CA ALA A 288 83.756 43.607 56.638 1.00 20.96 C -ATOM 2199 C ALA A 288 85.041 42.892 57.007 1.00 21.35 C -ATOM 2200 O ALA A 288 86.087 43.238 56.467 1.00 22.56 O -ATOM 2201 CB ALA A 288 83.312 43.141 55.285 1.00 20.72 C -ATOM 2202 N LYS A 289 84.982 41.910 57.915 1.00 20.95 N -ATOM 2203 CA LYS A 289 86.192 41.169 58.292 1.00 19.68 C -ATOM 2204 C LYS A 289 86.792 40.574 57.016 1.00 19.10 C -ATOM 2205 O LYS A 289 88.004 40.519 56.854 1.00 19.45 O -ATOM 2206 CB LYS A 289 85.885 40.059 59.299 1.00 21.45 C -ATOM 2207 CG LYS A 289 85.333 40.522 60.642 1.00 26.93 C -ATOM 2208 CD LYS A 289 84.721 39.343 61.451 1.00 30.93 C -ATOM 2209 CE LYS A 289 84.111 39.771 62.810 1.00 33.75 C -ATOM 2210 NZ LYS A 289 85.075 39.866 63.981 1.00 34.73 N -ATOM 2211 N SER A 290 85.923 40.125 56.119 1.00 17.94 N -ATOM 2212 CA SER A 290 86.316 39.569 54.838 1.00 16.95 C -ATOM 2213 C SER A 290 85.266 40.061 53.879 1.00 17.90 C -ATOM 2214 O SER A 290 84.074 39.955 54.183 1.00 19.76 O -ATOM 2215 CB SER A 290 86.290 38.057 54.882 1.00 17.12 C -ATOM 2216 OG SER A 290 87.420 37.580 55.587 1.00 21.01 O -ATOM 2217 N ALA A 291 85.693 40.637 52.756 1.00 16.88 N -ATOM 2218 CA ALA A 291 84.780 41.163 51.743 1.00 16.06 C -ATOM 2219 C ALA A 291 85.277 40.715 50.389 1.00 15.25 C -ATOM 2220 O ALA A 291 86.470 40.794 50.127 1.00 18.00 O -ATOM 2221 CB ALA A 291 84.760 42.681 51.814 1.00 17.69 C -ATOM 2222 N ALA A 292 84.398 40.232 49.527 1.00 14.24 N -ATOM 2223 CA ALA A 292 84.837 39.767 48.219 1.00 13.66 C -ATOM 2224 C ALA A 292 84.226 40.560 47.091 1.00 13.61 C -ATOM 2225 O ALA A 292 83.019 40.837 47.105 1.00 13.11 O -ATOM 2226 CB ALA A 292 84.510 38.279 48.033 1.00 14.95 C -ATOM 2227 N ILE A 293 85.051 40.883 46.092 1.00 12.18 N -ATOM 2228 CA ILE A 293 84.586 41.629 44.935 1.00 11.45 C -ATOM 2229 C ILE A 293 84.214 40.707 43.769 1.00 11.17 C -ATOM 2230 O ILE A 293 85.070 39.970 43.278 1.00 11.56 O -ATOM 2231 CB ILE A 293 85.645 42.660 44.465 1.00 10.14 C -ATOM 2232 CG1 ILE A 293 85.862 43.714 45.558 1.00 10.83 C -ATOM 2233 CG2 ILE A 293 85.186 43.334 43.182 1.00 8.68 C -ATOM 2234 CD1 ILE A 293 86.958 44.740 45.271 1.00 11.51 C -ATOM 2235 N LEU A 294 82.937 40.676 43.388 1.00 9.09 N -ATOM 2236 CA LEU A 294 82.531 39.876 42.241 1.00 9.51 C -ATOM 2237 C LEU A 294 82.194 40.903 41.177 1.00 10.70 C -ATOM 2238 O LEU A 294 81.353 41.797 41.413 1.00 11.33 O -ATOM 2239 CB LEU A 294 81.299 39.028 42.529 1.00 10.99 C -ATOM 2240 CG LEU A 294 81.241 38.175 43.800 1.00 12.77 C -ATOM 2241 CD1 LEU A 294 79.877 37.527 43.840 1.00 12.77 C -ATOM 2242 CD2 LEU A 294 82.329 37.124 43.827 1.00 13.30 C -ATOM 2243 N TRP A 295 82.850 40.809 40.019 1.00 10.09 N -ATOM 2244 CA TRP A 295 82.596 41.772 38.942 1.00 10.78 C -ATOM 2245 C TRP A 295 82.512 41.100 37.581 1.00 10.60 C -ATOM 2246 O TRP A 295 82.896 39.937 37.436 1.00 11.66 O -ATOM 2247 CB TRP A 295 83.654 42.897 38.955 1.00 10.75 C -ATOM 2248 CG TRP A 295 84.993 42.577 38.331 1.00 9.80 C -ATOM 2249 CD1 TRP A 295 85.250 42.343 37.003 1.00 9.47 C -ATOM 2250 CD2 TRP A 295 86.259 42.536 38.996 1.00 8.98 C -ATOM 2251 NE1 TRP A 295 86.601 42.172 36.807 1.00 10.31 N -ATOM 2252 CE2 TRP A 295 87.245 42.283 38.012 1.00 9.55 C -ATOM 2253 CE3 TRP A 295 86.660 42.694 40.323 1.00 10.15 C -ATOM 2254 CZ2 TRP A 295 88.608 42.187 38.317 1.00 8.66 C -ATOM 2255 CZ3 TRP A 295 88.027 42.599 40.627 1.00 10.43 C -ATOM 2256 CH2 TRP A 295 88.980 42.348 39.622 1.00 9.02 C -ATOM 2257 N GLY A 296 82.041 41.837 36.582 1.00 11.23 N -ATOM 2258 CA GLY A 296 81.909 41.259 35.251 1.00 13.08 C -ATOM 2259 C GLY A 296 82.094 42.195 34.063 1.00 13.69 C -ATOM 2260 O GLY A 296 83.113 42.881 33.939 1.00 11.26 O -ATOM 2261 N MET A 297 81.091 42.231 33.190 1.00 14.95 N -ATOM 2262 CA MET A 297 81.143 43.069 31.986 1.00 16.36 C -ATOM 2263 C MET A 297 80.776 44.552 32.165 1.00 15.69 C -ATOM 2264 O MET A 297 81.013 45.365 31.275 1.00 16.13 O -ATOM 2265 CB MET A 297 80.302 42.446 30.866 1.00 17.96 C -ATOM 2266 CG MET A 297 80.618 40.982 30.588 1.00 18.53 C -ATOM 2267 SD MET A 297 82.411 40.607 30.457 1.00 20.12 S -ATOM 2268 CE MET A 297 82.496 40.660 28.706 1.00 18.51 C -ATOM 2269 N GLY A 298 80.222 44.909 33.316 1.00 15.30 N -ATOM 2270 CA GLY A 298 79.885 46.292 33.562 1.00 14.75 C -ATOM 2271 C GLY A 298 81.185 47.026 33.797 1.00 16.41 C -ATOM 2272 O GLY A 298 81.222 48.260 33.935 1.00 18.49 O -ATOM 2273 N VAL A 299 82.261 46.248 33.876 1.00 15.84 N -ATOM 2274 CA VAL A 299 83.600 46.769 34.088 1.00 14.06 C -ATOM 2275 C VAL A 299 84.431 46.655 32.807 1.00 15.54 C -ATOM 2276 O VAL A 299 84.796 47.647 32.172 1.00 16.27 O -ATOM 2277 CB VAL A 299 84.305 45.980 35.233 1.00 11.39 C -ATOM 2278 CG1 VAL A 299 85.780 46.332 35.326 1.00 11.32 C -ATOM 2279 CG2 VAL A 299 83.626 46.262 36.549 1.00 10.66 C -ATOM 2280 N THR A 300 84.651 45.425 32.392 1.00 16.80 N -ATOM 2281 CA THR A 300 85.489 45.151 31.256 1.00 19.29 C -ATOM 2282 C THR A 300 85.115 45.726 29.904 1.00 22.11 C -ATOM 2283 O THR A 300 85.977 46.251 29.191 1.00 23.00 O -ATOM 2284 CB THR A 300 85.761 43.642 31.170 1.00 18.27 C -ATOM 2285 OG1 THR A 300 84.515 42.926 31.177 1.00 20.68 O -ATOM 2286 CG2 THR A 300 86.595 43.202 32.365 1.00 14.87 C -ATOM 2287 N GLN A 301 83.838 45.680 29.559 1.00 25.80 N -ATOM 2288 CA GLN A 301 83.400 46.172 28.248 1.00 29.70 C -ATOM 2289 C GLN A 301 83.249 47.681 28.059 1.00 30.69 C -ATOM 2290 O GLN A 301 82.346 48.162 27.358 1.00 29.90 O -ATOM 2291 CB GLN A 301 82.163 45.404 27.790 1.00 30.61 C -ATOM 2292 CG GLN A 301 82.530 43.963 27.501 1.00 31.60 C -ATOM 2293 CD GLN A 301 81.367 43.137 27.056 1.00 32.73 C -ATOM 2294 OE1 GLN A 301 80.215 43.428 27.400 1.00 32.27 O -ATOM 2295 NE2 GLN A 301 81.655 42.084 26.288 1.00 31.63 N -ATOM 2296 N PHE A 302 84.195 48.389 28.664 1.00 31.62 N -ATOM 2297 CA PHE A 302 84.318 49.830 28.630 1.00 32.71 C -ATOM 2298 C PHE A 302 85.814 50.020 28.362 1.00 34.52 C -ATOM 2299 O PHE A 302 86.633 49.426 29.065 1.00 36.53 O -ATOM 2300 CB PHE A 302 83.981 50.409 30.001 1.00 32.05 C -ATOM 2301 CG PHE A 302 82.501 50.624 30.246 1.00 31.43 C -ATOM 2302 CD1 PHE A 302 81.801 51.615 29.555 1.00 30.67 C -ATOM 2303 CD2 PHE A 302 81.840 49.922 31.248 1.00 28.61 C -ATOM 2304 CE1 PHE A 302 80.482 51.905 29.866 1.00 28.50 C -ATOM 2305 CE2 PHE A 302 80.530 50.210 31.560 1.00 27.41 C -ATOM 2306 CZ PHE A 302 79.849 51.204 30.873 1.00 28.48 C -ATOM 2307 N TYR A 303 86.183 50.850 27.383 1.00 34.72 N -ATOM 2308 CA TYR A 303 87.596 51.061 27.053 1.00 32.97 C -ATOM 2309 C TYR A 303 88.486 51.478 28.238 1.00 30.58 C -ATOM 2310 O TYR A 303 89.680 51.191 28.252 1.00 30.48 O -ATOM 2311 CB TYR A 303 87.739 51.991 25.832 1.00 36.19 C -ATOM 2312 CG TYR A 303 88.149 53.410 26.121 1.00 39.19 C -ATOM 2313 CD1 TYR A 303 87.287 54.281 26.797 1.00 42.46 C -ATOM 2314 CD2 TYR A 303 89.418 53.875 25.767 1.00 40.25 C -ATOM 2315 CE1 TYR A 303 87.683 55.590 27.128 1.00 42.26 C -ATOM 2316 CE2 TYR A 303 89.823 55.166 26.092 1.00 41.74 C -ATOM 2317 CZ TYR A 303 88.947 56.016 26.778 1.00 42.87 C -ATOM 2318 OH TYR A 303 89.344 57.277 27.152 1.00 45.82 O -ATOM 2319 N GLN A 304 87.892 52.089 29.259 1.00 28.40 N -ATOM 2320 CA GLN A 304 88.632 52.490 30.459 1.00 25.92 C -ATOM 2321 C GLN A 304 88.559 51.314 31.467 1.00 23.69 C -ATOM 2322 O GLN A 304 88.782 51.494 32.670 1.00 23.09 O -ATOM 2323 CB GLN A 304 87.980 53.740 31.075 1.00 27.67 C -ATOM 2324 CG GLN A 304 88.933 54.869 31.494 1.00 29.64 C -ATOM 2325 CD GLN A 304 88.591 55.497 32.862 1.00 31.23 C -ATOM 2326 OE1 GLN A 304 87.433 55.798 33.173 1.00 32.05 O -ATOM 2327 NE2 GLN A 304 89.615 55.714 33.671 1.00 33.84 N -ATOM 2328 N GLY A 305 88.315 50.109 30.951 1.00 20.61 N -ATOM 2329 CA GLY A 305 88.158 48.917 31.773 1.00 19.61 C -ATOM 2330 C GLY A 305 89.329 48.218 32.446 1.00 19.43 C -ATOM 2331 O GLY A 305 89.122 47.503 33.414 1.00 18.83 O -ATOM 2332 N VAL A 306 90.537 48.308 31.899 1.00 20.60 N -ATOM 2333 CA VAL A 306 91.672 47.672 32.558 1.00 19.23 C -ATOM 2334 C VAL A 306 91.933 48.530 33.781 1.00 20.41 C -ATOM 2335 O VAL A 306 92.308 48.021 34.837 1.00 20.35 O -ATOM 2336 CB VAL A 306 92.935 47.632 31.687 1.00 17.58 C -ATOM 2337 CG1 VAL A 306 94.069 47.051 32.468 1.00 18.35 C -ATOM 2338 CG2 VAL A 306 92.723 46.761 30.479 1.00 18.61 C -ATOM 2339 N GLU A 307 91.651 49.828 33.650 1.00 21.41 N -ATOM 2340 CA GLU A 307 91.844 50.781 34.743 1.00 22.38 C -ATOM 2341 C GLU A 307 90.836 50.523 35.843 1.00 22.68 C -ATOM 2342 O GLU A 307 91.173 50.627 37.016 1.00 23.69 O -ATOM 2343 CB GLU A 307 91.694 52.229 34.272 1.00 23.64 C -ATOM 2344 CG GLU A 307 92.825 52.746 33.405 1.00 26.27 C -ATOM 2345 CD GLU A 307 92.893 52.084 32.037 1.00 27.61 C -ATOM 2346 OE1 GLU A 307 91.872 51.548 31.561 1.00 26.03 O -ATOM 2347 OE2 GLU A 307 93.984 52.115 31.428 1.00 29.77 O -ATOM 2348 N THR A 308 89.603 50.177 35.470 1.00 21.84 N -ATOM 2349 CA THR A 308 88.560 49.910 36.463 1.00 20.72 C -ATOM 2350 C THR A 308 88.849 48.648 37.277 1.00 19.56 C -ATOM 2351 O THR A 308 88.620 48.608 38.474 1.00 19.57 O -ATOM 2352 CB THR A 308 87.193 49.783 35.805 1.00 21.06 C -ATOM 2353 OG1 THR A 308 87.015 50.862 34.873 1.00 22.51 O -ATOM 2354 CG2 THR A 308 86.113 49.869 36.867 1.00 21.82 C -ATOM 2355 N VAL A 309 89.347 47.621 36.600 1.00 19.28 N -ATOM 2356 CA VAL A 309 89.714 46.350 37.201 1.00 17.51 C -ATOM 2357 C VAL A 309 90.870 46.624 38.176 1.00 17.40 C -ATOM 2358 O VAL A 309 90.853 46.201 39.338 1.00 17.16 O -ATOM 2359 CB VAL A 309 90.227 45.392 36.104 1.00 17.67 C -ATOM 2360 CG1 VAL A 309 90.655 44.064 36.709 1.00 19.49 C -ATOM 2361 CG2 VAL A 309 89.186 45.198 35.036 1.00 16.83 C -ATOM 2362 N ARG A 310 91.873 47.335 37.674 1.00 15.30 N -ATOM 2363 CA ARG A 310 93.036 47.700 38.445 1.00 14.74 C -ATOM 2364 C ARG A 310 92.624 48.526 39.654 1.00 14.95 C -ATOM 2365 O ARG A 310 93.169 48.378 40.747 1.00 16.67 O -ATOM 2366 CB ARG A 310 93.966 48.521 37.565 1.00 16.03 C -ATOM 2367 CG ARG A 310 94.918 47.734 36.681 1.00 16.97 C -ATOM 2368 CD ARG A 310 96.154 47.393 37.454 1.00 17.89 C -ATOM 2369 NE ARG A 310 97.400 47.722 36.773 1.00 21.18 N -ATOM 2370 CZ ARG A 310 98.550 47.969 37.404 1.00 22.53 C -ATOM 2371 NH1 ARG A 310 98.616 47.942 38.731 1.00 21.49 N -ATOM 2372 NH2 ARG A 310 99.659 48.164 36.709 1.00 22.94 N -ATOM 2373 N SER A 311 91.651 49.397 39.446 1.00 14.90 N -ATOM 2374 CA SER A 311 91.133 50.278 40.482 1.00 15.37 C -ATOM 2375 C SER A 311 90.419 49.465 41.590 1.00 15.17 C -ATOM 2376 O SER A 311 90.633 49.699 42.784 1.00 15.02 O -ATOM 2377 CB SER A 311 90.178 51.278 39.811 1.00 17.35 C -ATOM 2378 OG SER A 311 89.869 52.393 40.623 1.00 19.56 O -ATOM 2379 N LEU A 312 89.579 48.510 41.188 1.00 14.97 N -ATOM 2380 CA LEU A 312 88.839 47.644 42.114 1.00 14.06 C -ATOM 2381 C LEU A 312 89.812 46.812 42.940 1.00 14.67 C -ATOM 2382 O LEU A 312 89.709 46.739 44.163 1.00 15.16 O -ATOM 2383 CB LEU A 312 87.937 46.713 41.329 1.00 12.96 C -ATOM 2384 CG LEU A 312 86.610 47.301 40.931 1.00 13.32 C -ATOM 2385 CD1 LEU A 312 85.951 46.469 39.838 1.00 16.35 C -ATOM 2386 CD2 LEU A 312 85.771 47.326 42.181 1.00 15.70 C -ATOM 2387 N THR A 313 90.730 46.144 42.255 1.00 14.27 N -ATOM 2388 CA THR A 313 91.751 45.362 42.919 1.00 14.00 C -ATOM 2389 C THR A 313 92.449 46.264 43.965 1.00 14.33 C -ATOM 2390 O THR A 313 92.804 45.786 45.050 1.00 15.91 O -ATOM 2391 CB THR A 313 92.767 44.807 41.880 1.00 12.98 C -ATOM 2392 OG1 THR A 313 92.051 44.068 40.883 1.00 12.79 O -ATOM 2393 CG2 THR A 313 93.785 43.900 42.538 1.00 11.68 C -ATOM 2394 N SER A 314 92.632 47.551 43.658 1.00 12.97 N -ATOM 2395 CA SER A 314 93.249 48.450 44.616 1.00 13.03 C -ATOM 2396 C SER A 314 92.465 48.466 45.911 1.00 13.67 C -ATOM 2397 O SER A 314 93.057 48.308 46.972 1.00 14.32 O -ATOM 2398 CB SER A 314 93.339 49.865 44.085 1.00 13.60 C -ATOM 2399 OG SER A 314 94.438 50.021 43.224 1.00 14.58 O -ATOM 2400 N LEU A 315 91.142 48.629 45.842 1.00 14.09 N -ATOM 2401 CA LEU A 315 90.325 48.654 47.065 1.00 14.67 C -ATOM 2402 C LEU A 315 90.593 47.399 47.913 1.00 16.91 C -ATOM 2403 O LEU A 315 90.910 47.484 49.103 1.00 18.42 O -ATOM 2404 CB LEU A 315 88.836 48.767 46.730 1.00 13.07 C -ATOM 2405 CG LEU A 315 88.311 50.071 46.119 1.00 11.71 C -ATOM 2406 CD1 LEU A 315 86.831 49.946 45.839 1.00 12.44 C -ATOM 2407 CD2 LEU A 315 88.564 51.259 47.063 1.00 13.08 C -ATOM 2408 N ALA A 316 90.504 46.235 47.283 1.00 17.70 N -ATOM 2409 CA ALA A 316 90.778 44.978 47.953 1.00 17.98 C -ATOM 2410 C ALA A 316 92.197 44.996 48.562 1.00 18.97 C -ATOM 2411 O ALA A 316 92.410 44.512 49.678 1.00 20.54 O -ATOM 2412 CB ALA A 316 90.633 43.823 46.956 1.00 17.60 C -ATOM 2413 N MET A 317 93.172 45.522 47.828 1.00 18.60 N -ATOM 2414 CA MET A 317 94.537 45.596 48.339 1.00 19.53 C -ATOM 2415 C MET A 317 94.515 46.398 49.614 1.00 19.64 C -ATOM 2416 O MET A 317 94.933 45.934 50.674 1.00 20.85 O -ATOM 2417 CB MET A 317 95.439 46.354 47.377 1.00 21.55 C -ATOM 2418 CG MET A 317 95.823 45.619 46.150 1.00 22.79 C -ATOM 2419 SD MET A 317 97.275 46.379 45.450 1.00 26.82 S -ATOM 2420 CE MET A 317 97.035 45.843 43.759 1.00 28.60 C -ATOM 2421 N LEU A 318 94.002 47.614 49.479 1.00 18.74 N -ATOM 2422 CA LEU A 318 93.883 48.584 50.557 1.00 17.86 C -ATOM 2423 C LEU A 318 93.194 48.035 51.815 1.00 17.27 C -ATOM 2424 O LEU A 318 93.457 48.483 52.939 1.00 16.63 O -ATOM 2425 CB LEU A 318 93.115 49.810 50.033 1.00 16.66 C -ATOM 2426 CG LEU A 318 93.220 51.110 50.831 1.00 15.76 C -ATOM 2427 CD1 LEU A 318 94.681 51.520 50.938 1.00 14.16 C -ATOM 2428 CD2 LEU A 318 92.410 52.185 50.167 1.00 12.97 C -ATOM 2429 N THR A 319 92.339 47.043 51.628 1.00 16.59 N -ATOM 2430 CA THR A 319 91.592 46.481 52.740 1.00 16.16 C -ATOM 2431 C THR A 319 92.071 45.114 53.217 1.00 16.05 C -ATOM 2432 O THR A 319 91.493 44.531 54.141 1.00 16.55 O -ATOM 2433 CB THR A 319 90.092 46.452 52.378 1.00 15.97 C -ATOM 2434 OG1 THR A 319 89.898 45.818 51.096 1.00 13.14 O -ATOM 2435 CG2 THR A 319 89.575 47.895 52.285 1.00 15.29 C -ATOM 2436 N GLY A 320 93.163 44.633 52.628 1.00 15.00 N -ATOM 2437 CA GLY A 320 93.672 43.327 52.987 1.00 13.07 C -ATOM 2438 C GLY A 320 92.778 42.176 52.560 1.00 13.12 C -ATOM 2439 O GLY A 320 92.951 41.052 53.048 1.00 13.99 O -ATOM 2440 N ASN A 321 91.869 42.410 51.613 1.00 12.72 N -ATOM 2441 CA ASN A 321 90.963 41.344 51.167 1.00 13.58 C -ATOM 2442 C ASN A 321 91.561 40.469 50.073 1.00 13.23 C -ATOM 2443 O ASN A 321 90.944 40.238 49.036 1.00 12.71 O -ATOM 2444 CB ASN A 321 89.605 41.895 50.721 1.00 13.20 C -ATOM 2445 CG ASN A 321 88.816 42.496 51.874 1.00 15.53 C -ATOM 2446 OD1 ASN A 321 88.586 41.844 52.891 1.00 12.89 O -ATOM 2447 ND2 ASN A 321 88.396 43.752 51.716 1.00 18.49 N -ATOM 2448 N LEU A 322 92.743 39.938 50.340 1.00 12.44 N -ATOM 2449 CA LEU A 322 93.441 39.093 49.394 1.00 13.33 C -ATOM 2450 C LEU A 322 94.393 38.233 50.199 1.00 15.25 C -ATOM 2451 O LEU A 322 94.950 38.691 51.203 1.00 16.51 O -ATOM 2452 CB LEU A 322 94.244 39.952 48.402 1.00 12.84 C -ATOM 2453 CG LEU A 322 93.530 40.816 47.353 1.00 10.73 C -ATOM 2454 CD1 LEU A 322 94.467 41.881 46.861 1.00 9.96 C -ATOM 2455 CD2 LEU A 322 93.033 39.981 46.196 1.00 10.59 C -ATOM 2456 N GLY A 323 94.587 36.998 49.754 1.00 15.68 N -ATOM 2457 CA GLY A 323 95.485 36.100 50.448 1.00 16.13 C -ATOM 2458 C GLY A 323 94.772 35.274 51.490 1.00 17.04 C -ATOM 2459 O GLY A 323 95.371 34.415 52.132 1.00 18.51 O -ATOM 2460 N LYS A 324 93.463 35.450 51.578 1.00 17.87 N -ATOM 2461 CA LYS A 324 92.661 34.736 52.559 1.00 18.57 C -ATOM 2462 C LYS A 324 91.361 34.248 51.953 1.00 19.37 C -ATOM 2463 O LYS A 324 90.848 34.857 51.008 1.00 19.02 O -ATOM 2464 CB LYS A 324 92.322 35.700 53.695 1.00 20.03 C -ATOM 2465 CG LYS A 324 91.798 37.037 53.210 1.00 20.33 C -ATOM 2466 CD LYS A 324 90.949 37.720 54.262 1.00 21.61 C -ATOM 2467 CE LYS A 324 91.767 38.430 55.297 1.00 22.21 C -ATOM 2468 NZ LYS A 324 90.868 39.127 56.253 1.00 23.59 N -ATOM 2469 N PRO A 325 90.771 33.177 52.525 1.00 20.61 N -ATOM 2470 CA PRO A 325 89.499 32.607 52.041 1.00 20.99 C -ATOM 2471 C PRO A 325 88.311 33.571 52.173 1.00 19.78 C -ATOM 2472 O PRO A 325 88.316 34.484 52.993 1.00 21.26 O -ATOM 2473 CB PRO A 325 89.308 31.400 52.950 1.00 19.56 C -ATOM 2474 CG PRO A 325 89.926 31.862 54.227 1.00 19.28 C -ATOM 2475 CD PRO A 325 91.211 32.469 53.738 1.00 19.93 C -ATOM 2476 N HIS A 326 87.291 33.361 51.364 1.00 18.50 N -ATOM 2477 CA HIS A 326 86.104 34.218 51.412 1.00 19.99 C -ATOM 2478 C HIS A 326 86.395 35.705 51.276 1.00 19.94 C -ATOM 2479 O HIS A 326 85.799 36.535 51.970 1.00 21.88 O -ATOM 2480 CB HIS A 326 85.328 33.973 52.707 1.00 19.48 C -ATOM 2481 CG HIS A 326 85.488 32.586 53.235 1.00 19.57 C -ATOM 2482 ND1 HIS A 326 85.030 31.480 52.561 1.00 18.49 N -ATOM 2483 CD2 HIS A 326 86.156 32.121 54.315 1.00 19.08 C -ATOM 2484 CE1 HIS A 326 85.418 30.392 53.194 1.00 19.80 C -ATOM 2485 NE2 HIS A 326 86.104 30.750 54.263 1.00 18.43 N -ATOM 2486 N ALA A 327 87.265 36.044 50.342 1.00 18.89 N -ATOM 2487 CA ALA A 327 87.623 37.428 50.095 1.00 18.00 C -ATOM 2488 C ALA A 327 88.123 37.465 48.652 1.00 17.90 C -ATOM 2489 O ALA A 327 87.564 36.796 47.773 1.00 19.18 O -ATOM 2490 CB ALA A 327 88.713 37.856 51.070 1.00 17.33 C -ATOM 2491 N GLY A 328 89.132 38.278 48.388 1.00 16.28 N -ATOM 2492 CA GLY A 328 89.674 38.310 47.054 1.00 13.40 C -ATOM 2493 C GLY A 328 88.987 39.175 46.036 1.00 12.50 C -ATOM 2494 O GLY A 328 88.102 39.978 46.332 1.00 12.28 O -ATOM 2495 N VAL A 329 89.463 39.007 44.814 1.00 13.02 N -ATOM 2496 CA VAL A 329 89.018 39.719 43.626 1.00 12.42 C -ATOM 2497 C VAL A 329 88.518 38.631 42.637 1.00 11.73 C -ATOM 2498 O VAL A 329 89.263 37.738 42.225 1.00 11.59 O -ATOM 2499 CB VAL A 329 90.228 40.558 43.122 1.00 11.98 C -ATOM 2500 CG1 VAL A 329 90.601 40.225 41.716 1.00 13.67 C -ATOM 2501 CG2 VAL A 329 89.964 42.023 43.339 1.00 11.95 C -ATOM 2502 N ASN A 330 87.247 38.718 42.265 1.00 10.20 N -ATOM 2503 CA ASN A 330 86.646 37.706 41.429 1.00 8.51 C -ATOM 2504 C ASN A 330 85.986 38.038 40.100 1.00 7.21 C -ATOM 2505 O ASN A 330 84.800 38.379 40.032 1.00 6.76 O -ATOM 2506 CB ASN A 330 85.672 36.923 42.281 1.00 9.99 C -ATOM 2507 CG ASN A 330 86.321 36.385 43.511 1.00 11.91 C -ATOM 2508 OD1 ASN A 330 86.955 35.343 43.478 1.00 11.89 O -ATOM 2509 ND2 ASN A 330 86.215 37.123 44.604 1.00 14.97 N -ATOM 2510 N PRO A 331 86.771 38.041 39.028 1.00 5.71 N -ATOM 2511 CA PRO A 331 86.161 38.330 37.741 1.00 5.41 C -ATOM 2512 C PRO A 331 85.526 37.006 37.341 1.00 7.80 C -ATOM 2513 O PRO A 331 86.228 36.032 37.011 1.00 8.22 O -ATOM 2514 CB PRO A 331 87.367 38.708 36.887 1.00 2.85 C -ATOM 2515 CG PRO A 331 88.469 37.983 37.507 1.00 3.26 C -ATOM 2516 CD PRO A 331 88.231 38.181 38.955 1.00 4.12 C -ATOM 2517 N VAL A 332 84.207 36.919 37.483 1.00 9.78 N -ATOM 2518 CA VAL A 332 83.512 35.678 37.161 1.00 11.40 C -ATOM 2519 C VAL A 332 83.503 35.576 35.644 1.00 13.50 C -ATOM 2520 O VAL A 332 82.774 36.311 34.975 1.00 15.41 O -ATOM 2521 CB VAL A 332 82.067 35.640 37.752 1.00 10.65 C -ATOM 2522 CG1 VAL A 332 81.449 34.277 37.544 1.00 12.13 C -ATOM 2523 CG2 VAL A 332 82.084 35.932 39.237 1.00 9.66 C -ATOM 2524 N ARG A 333 84.385 34.730 35.110 1.00 14.28 N -ATOM 2525 CA ARG A 333 84.528 34.537 33.665 1.00 14.78 C -ATOM 2526 C ARG A 333 83.174 34.096 33.152 1.00 13.94 C -ATOM 2527 O ARG A 333 82.425 33.460 33.879 1.00 15.18 O -ATOM 2528 CB ARG A 333 85.607 33.477 33.371 1.00 17.66 C -ATOM 2529 CG ARG A 333 86.811 33.456 34.380 1.00 20.30 C -ATOM 2530 CD ARG A 333 87.683 34.714 34.335 1.00 24.01 C -ATOM 2531 NE ARG A 333 88.857 34.578 33.461 1.00 28.94 N -ATOM 2532 CZ ARG A 333 88.818 34.569 32.123 1.00 32.34 C -ATOM 2533 NH1 ARG A 333 87.657 34.685 31.481 1.00 32.82 N -ATOM 2534 NH2 ARG A 333 89.946 34.496 31.411 1.00 31.89 N -ATOM 2535 N GLY A 334 82.851 34.432 31.912 1.00 13.31 N -ATOM 2536 CA GLY A 334 81.547 34.089 31.378 1.00 11.92 C -ATOM 2537 C GLY A 334 81.191 32.718 30.825 1.00 12.13 C -ATOM 2538 O GLY A 334 80.342 32.008 31.382 1.00 11.87 O -ATOM 2539 N GLN A 335 81.788 32.366 29.698 1.00 11.90 N -ATOM 2540 CA GLN A 335 81.467 31.123 29.031 1.00 12.04 C -ATOM 2541 C GLN A 335 81.977 29.876 29.714 1.00 13.02 C -ATOM 2542 O GLN A 335 83.065 29.889 30.295 1.00 12.63 O -ATOM 2543 CB GLN A 335 81.915 31.176 27.577 1.00 11.59 C -ATOM 2544 CG GLN A 335 81.389 32.375 26.869 1.00 13.16 C -ATOM 2545 CD GLN A 335 80.869 32.075 25.490 1.00 15.18 C -ATOM 2546 OE1 GLN A 335 81.477 31.325 24.747 1.00 17.74 O -ATOM 2547 NE2 GLN A 335 79.743 32.686 25.126 1.00 16.69 N -ATOM 2548 N ASN A 336 81.196 28.797 29.590 1.00 11.85 N -ATOM 2549 CA ASN A 336 81.518 27.513 30.196 1.00 12.34 C -ATOM 2550 C ASN A 336 82.990 27.170 30.235 1.00 12.43 C -ATOM 2551 O ASN A 336 83.526 26.805 31.289 1.00 11.97 O -ATOM 2552 CB ASN A 336 80.748 26.361 29.541 1.00 12.10 C -ATOM 2553 CG ASN A 336 81.162 26.107 28.111 1.00 10.87 C -ATOM 2554 OD1 ASN A 336 81.851 25.137 27.816 1.00 9.68 O -ATOM 2555 ND2 ASN A 336 80.664 26.927 27.207 1.00 10.88 N -ATOM 2556 N ASN A 337 83.667 27.352 29.111 1.00 13.10 N -ATOM 2557 CA ASN A 337 85.077 27.024 29.077 1.00 11.87 C -ATOM 2558 C ASN A 337 86.025 28.097 28.617 1.00 11.07 C -ATOM 2559 O ASN A 337 87.094 27.770 28.167 1.00 11.43 O -ATOM 2560 CB ASN A 337 85.310 25.774 28.250 1.00 11.65 C -ATOM 2561 CG ASN A 337 86.605 25.123 28.587 1.00 12.01 C -ATOM 2562 OD1 ASN A 337 87.110 25.297 29.698 1.00 12.48 O -ATOM 2563 ND2 ASN A 337 87.158 24.358 27.651 1.00 10.64 N -ATOM 2564 N VAL A 338 85.666 29.373 28.742 1.00 11.93 N -ATOM 2565 CA VAL A 338 86.568 30.453 28.315 1.00 11.02 C -ATOM 2566 C VAL A 338 87.791 30.455 29.194 1.00 11.44 C -ATOM 2567 O VAL A 338 88.892 30.813 28.752 1.00 12.49 O -ATOM 2568 CB VAL A 338 85.939 31.844 28.428 1.00 10.15 C -ATOM 2569 CG1 VAL A 338 85.417 32.078 29.833 1.00 11.45 C -ATOM 2570 CG2 VAL A 338 86.960 32.887 28.066 1.00 7.63 C -ATOM 2571 N GLN A 339 87.576 30.102 30.460 1.00 10.59 N -ATOM 2572 CA GLN A 339 88.649 30.039 31.429 1.00 9.30 C -ATOM 2573 C GLN A 339 89.572 28.943 30.882 1.00 10.19 C -ATOM 2574 O GLN A 339 90.756 29.182 30.668 1.00 12.62 O -ATOM 2575 CB GLN A 339 88.061 29.688 32.803 1.00 8.44 C -ATOM 2576 CG GLN A 339 89.048 29.331 33.902 1.00 8.49 C -ATOM 2577 CD GLN A 339 90.019 30.440 34.207 1.00 9.57 C -ATOM 2578 OE1 GLN A 339 91.217 30.278 34.036 1.00 10.94 O -ATOM 2579 NE2 GLN A 339 89.509 31.576 34.670 1.00 8.64 N -ATOM 2580 N GLY A 340 88.984 27.815 30.490 1.00 9.72 N -ATOM 2581 CA GLY A 340 89.746 26.687 29.986 1.00 8.55 C -ATOM 2582 C GLY A 340 90.651 26.983 28.822 1.00 9.05 C -ATOM 2583 O GLY A 340 91.855 26.739 28.905 1.00 10.74 O -ATOM 2584 N ALA A 341 90.072 27.483 27.736 1.00 8.34 N -ATOM 2585 CA ALA A 341 90.790 27.840 26.519 1.00 8.41 C -ATOM 2586 C ALA A 341 92.024 28.700 26.858 1.00 10.52 C -ATOM 2587 O ALA A 341 93.108 28.552 26.254 1.00 10.42 O -ATOM 2588 CB ALA A 341 89.857 28.602 25.600 1.00 8.32 C -ATOM 2589 N CYS A 342 91.858 29.618 27.804 1.00 10.60 N -ATOM 2590 CA CYS A 342 92.979 30.445 28.233 1.00 12.48 C -ATOM 2591 C CYS A 342 94.038 29.542 28.851 1.00 11.95 C -ATOM 2592 O CYS A 342 95.202 29.589 28.433 1.00 13.16 O -ATOM 2593 CB CYS A 342 92.534 31.540 29.220 1.00 12.85 C -ATOM 2594 SG CYS A 342 91.517 32.769 28.391 1.00 12.86 S -ATOM 2595 N ASP A 343 93.629 28.682 29.785 1.00 11.34 N -ATOM 2596 CA ASP A 343 94.559 27.745 30.437 1.00 12.62 C -ATOM 2597 C ASP A 343 95.321 26.939 29.377 1.00 11.17 C -ATOM 2598 O ASP A 343 96.438 26.508 29.602 1.00 8.89 O -ATOM 2599 CB ASP A 343 93.822 26.720 31.321 1.00 13.48 C -ATOM 2600 CG ASP A 343 93.068 27.342 32.478 1.00 14.77 C -ATOM 2601 OD1 ASP A 343 93.533 28.336 33.064 1.00 14.58 O -ATOM 2602 OD2 ASP A 343 92.016 26.782 32.842 1.00 16.52 O -ATOM 2603 N MET A 344 94.681 26.705 28.239 1.00 11.43 N -ATOM 2604 CA MET A 344 95.286 25.924 27.168 1.00 12.66 C -ATOM 2605 C MET A 344 96.237 26.709 26.299 1.00 12.63 C -ATOM 2606 O MET A 344 97.081 26.125 25.631 1.00 13.00 O -ATOM 2607 CB MET A 344 94.204 25.256 26.322 1.00 14.23 C -ATOM 2608 CG MET A 344 93.306 24.357 27.141 1.00 13.17 C -ATOM 2609 SD MET A 344 94.272 23.054 27.832 1.00 15.27 S -ATOM 2610 CE MET A 344 94.320 23.496 29.566 1.00 13.47 C -ATOM 2611 N GLY A 345 96.119 28.032 26.310 1.00 12.27 N -ATOM 2612 CA GLY A 345 97.039 28.834 25.522 1.00 11.16 C -ATOM 2613 C GLY A 345 96.443 29.355 24.240 1.00 10.55 C -ATOM 2614 O GLY A 345 97.146 29.657 23.264 1.00 7.70 O -ATOM 2615 N ALA A 346 95.119 29.449 24.255 1.00 10.63 N -ATOM 2616 CA ALA A 346 94.382 29.971 23.131 1.00 10.95 C -ATOM 2617 C ALA A 346 94.406 31.510 23.305 1.00 12.56 C -ATOM 2618 O ALA A 346 93.380 32.204 23.215 1.00 13.34 O -ATOM 2619 CB ALA A 346 92.980 29.419 23.155 1.00 10.10 C -ATOM 2620 N LEU A 347 95.604 32.013 23.598 1.00 12.25 N -ATOM 2621 CA LEU A 347 95.882 33.424 23.801 1.00 12.24 C -ATOM 2622 C LEU A 347 97.089 33.643 22.916 1.00 13.40 C -ATOM 2623 O LEU A 347 97.989 32.806 22.888 1.00 15.78 O -ATOM 2624 CB LEU A 347 96.235 33.670 25.251 1.00 10.33 C -ATOM 2625 CG LEU A 347 94.992 33.457 26.077 1.00 10.50 C -ATOM 2626 CD1 LEU A 347 95.315 33.518 27.540 1.00 12.99 C -ATOM 2627 CD2 LEU A 347 93.979 34.497 25.701 1.00 10.22 C -ATOM 2628 N PRO A 348 97.169 34.793 22.239 1.00 13.42 N -ATOM 2629 CA PRO A 348 98.306 35.048 21.348 1.00 14.03 C -ATOM 2630 C PRO A 348 99.645 35.351 21.972 1.00 14.72 C -ATOM 2631 O PRO A 348 100.571 35.730 21.271 1.00 12.36 O -ATOM 2632 CB PRO A 348 97.812 36.202 20.504 1.00 14.83 C -ATOM 2633 CG PRO A 348 96.933 36.971 21.481 1.00 14.09 C -ATOM 2634 CD PRO A 348 96.180 35.880 22.178 1.00 13.63 C -ATOM 2635 N ASP A 349 99.757 35.137 23.281 1.00 16.74 N -ATOM 2636 CA ASP A 349 100.989 35.414 24.011 1.00 16.78 C -ATOM 2637 C ASP A 349 101.390 34.372 25.056 1.00 17.96 C -ATOM 2638 O ASP A 349 102.429 34.526 25.711 1.00 20.97 O -ATOM 2639 CB ASP A 349 100.924 36.798 24.662 1.00 16.22 C -ATOM 2640 CG ASP A 349 99.865 36.907 25.768 1.00 17.99 C -ATOM 2641 OD1 ASP A 349 98.964 36.049 25.893 1.00 17.31 O -ATOM 2642 OD2 ASP A 349 99.925 37.904 26.526 1.00 19.95 O -ATOM 2643 N THR A 350 100.600 33.315 25.224 1.00 15.96 N -ATOM 2644 CA THR A 350 100.965 32.306 26.205 1.00 14.99 C -ATOM 2645 C THR A 350 100.717 30.915 25.693 1.00 15.28 C -ATOM 2646 O THR A 350 99.831 30.691 24.865 1.00 13.91 O -ATOM 2647 CB THR A 350 100.138 32.396 27.507 1.00 14.85 C -ATOM 2648 OG1 THR A 350 99.188 33.455 27.417 1.00 15.97 O -ATOM 2649 CG2 THR A 350 101.018 32.580 28.697 1.00 12.70 C -ATOM 2650 N TYR A 351 101.530 29.993 26.200 1.00 15.47 N -ATOM 2651 CA TYR A 351 101.406 28.572 25.905 1.00 15.45 C -ATOM 2652 C TYR A 351 100.452 28.133 27.022 1.00 14.39 C -ATOM 2653 O TYR A 351 100.042 28.968 27.853 1.00 14.91 O -ATOM 2654 CB TYR A 351 102.758 27.884 26.098 1.00 15.78 C -ATOM 2655 CG TYR A 351 103.762 28.161 25.017 1.00 17.42 C -ATOM 2656 CD1 TYR A 351 103.456 27.917 23.682 1.00 18.43 C -ATOM 2657 CD2 TYR A 351 105.041 28.626 25.329 1.00 18.54 C -ATOM 2658 CE1 TYR A 351 104.404 28.119 22.671 1.00 20.07 C -ATOM 2659 CE2 TYR A 351 105.997 28.835 24.334 1.00 19.74 C -ATOM 2660 CZ TYR A 351 105.672 28.573 23.002 1.00 20.99 C -ATOM 2661 OH TYR A 351 106.621 28.725 22.007 1.00 22.40 O -ATOM 2662 N PRO A 352 100.015 26.865 27.024 1.00 11.83 N -ATOM 2663 CA PRO A 352 99.124 26.506 28.122 1.00 10.45 C -ATOM 2664 C PRO A 352 99.928 26.586 29.397 1.00 9.86 C -ATOM 2665 O PRO A 352 101.146 26.629 29.349 1.00 9.39 O -ATOM 2666 CB PRO A 352 98.710 25.076 27.789 1.00 11.73 C -ATOM 2667 CG PRO A 352 99.769 24.587 26.851 1.00 13.53 C -ATOM 2668 CD PRO A 352 100.082 25.796 26.022 1.00 12.51 C -ATOM 2669 N GLY A 353 99.252 26.639 30.535 1.00 11.58 N -ATOM 2670 CA GLY A 353 99.930 26.731 31.817 1.00 12.69 C -ATOM 2671 C GLY A 353 100.377 28.155 32.091 1.00 14.29 C -ATOM 2672 O GLY A 353 101.055 28.425 33.073 1.00 16.44 O -ATOM 2673 N TYR A 354 99.979 29.080 31.232 1.00 13.75 N -ATOM 2674 CA TYR A 354 100.351 30.475 31.386 1.00 14.02 C -ATOM 2675 C TYR A 354 101.852 30.697 31.352 1.00 14.25 C -ATOM 2676 O TYR A 354 102.395 31.591 31.998 1.00 15.23 O -ATOM 2677 CB TYR A 354 99.690 31.078 32.610 1.00 13.22 C -ATOM 2678 CG TYR A 354 98.177 30.989 32.524 1.00 14.81 C -ATOM 2679 CD1 TYR A 354 97.467 31.797 31.635 1.00 12.19 C -ATOM 2680 CD2 TYR A 354 97.454 30.064 33.317 1.00 13.95 C -ATOM 2681 CE1 TYR A 354 96.096 31.695 31.531 1.00 13.39 C -ATOM 2682 CE2 TYR A 354 96.071 29.958 33.220 1.00 11.51 C -ATOM 2683 CZ TYR A 354 95.399 30.772 32.326 1.00 14.57 C -ATOM 2684 OH TYR A 354 94.026 30.671 32.188 1.00 17.43 O -ATOM 2685 N GLN A 355 102.480 29.938 30.462 1.00 14.72 N -ATOM 2686 CA GLN A 355 103.908 29.983 30.201 1.00 16.00 C -ATOM 2687 C GLN A 355 104.097 30.731 28.872 1.00 17.79 C -ATOM 2688 O GLN A 355 104.056 30.137 27.784 1.00 18.29 O -ATOM 2689 CB GLN A 355 104.428 28.559 30.115 1.00 13.57 C -ATOM 2690 CG GLN A 355 104.108 27.777 31.346 1.00 11.11 C -ATOM 2691 CD GLN A 355 104.373 26.328 31.177 1.00 11.57 C -ATOM 2692 OE1 GLN A 355 105.312 25.802 31.750 1.00 13.88 O -ATOM 2693 NE2 GLN A 355 103.554 25.661 30.383 1.00 11.80 N -ATOM 2694 N TYR A 356 104.293 32.042 28.986 1.00 19.22 N -ATOM 2695 CA TYR A 356 104.428 32.961 27.840 1.00 19.86 C -ATOM 2696 C TYR A 356 105.516 32.628 26.821 1.00 19.21 C -ATOM 2697 O TYR A 356 106.614 32.206 27.189 1.00 19.20 O -ATOM 2698 CB TYR A 356 104.585 34.419 28.349 1.00 20.63 C -ATOM 2699 CG TYR A 356 103.559 34.802 29.408 1.00 20.09 C -ATOM 2700 CD1 TYR A 356 103.673 34.325 30.726 1.00 19.13 C -ATOM 2701 CD2 TYR A 356 102.429 35.552 29.076 1.00 19.98 C -ATOM 2702 CE1 TYR A 356 102.690 34.575 31.677 1.00 18.99 C -ATOM 2703 CE2 TYR A 356 101.423 35.807 30.039 1.00 20.05 C -ATOM 2704 CZ TYR A 356 101.568 35.314 31.330 1.00 19.61 C -ATOM 2705 OH TYR A 356 100.596 35.553 32.277 1.00 22.02 O -ATOM 2706 N VAL A 357 105.200 32.854 25.543 1.00 19.81 N -ATOM 2707 CA VAL A 357 106.132 32.592 24.429 1.00 19.52 C -ATOM 2708 C VAL A 357 107.389 33.459 24.494 1.00 19.19 C -ATOM 2709 O VAL A 357 108.463 33.043 24.086 1.00 18.57 O -ATOM 2710 CB VAL A 357 105.456 32.745 23.006 1.00 18.29 C -ATOM 2711 CG1 VAL A 357 104.439 31.656 22.786 1.00 18.35 C -ATOM 2712 CG2 VAL A 357 104.777 34.093 22.842 1.00 17.10 C -ATOM 2713 N LYS A 358 107.259 34.647 25.065 1.00 20.17 N -ATOM 2714 CA LYS A 358 108.389 35.557 25.172 1.00 21.15 C -ATOM 2715 C LYS A 358 109.556 34.923 25.928 1.00 20.85 C -ATOM 2716 O LYS A 358 110.710 35.167 25.592 1.00 20.32 O -ATOM 2717 CB LYS A 358 107.979 36.864 25.852 1.00 21.87 C -ATOM 2718 CG LYS A 358 108.068 36.842 27.362 1.00 23.26 C -ATOM 2719 CD LYS A 358 108.050 38.249 27.895 1.00 25.89 C -ATOM 2720 CE LYS A 358 106.634 38.737 28.061 1.00 31.15 C -ATOM 2721 NZ LYS A 358 105.765 38.518 26.852 1.00 34.86 N -ATOM 2722 N ASP A 359 109.242 34.103 26.930 1.00 20.14 N -ATOM 2723 CA ASP A 359 110.251 33.440 27.737 1.00 19.19 C -ATOM 2724 C ASP A 359 110.978 32.376 26.934 1.00 20.38 C -ATOM 2725 O ASP A 359 110.397 31.342 26.602 1.00 23.19 O -ATOM 2726 CB ASP A 359 109.603 32.789 28.949 1.00 17.11 C -ATOM 2727 CG ASP A 359 110.618 32.340 29.985 1.00 17.29 C -ATOM 2728 OD1 ASP A 359 111.695 31.831 29.616 1.00 16.63 O -ATOM 2729 OD2 ASP A 359 110.344 32.507 31.194 1.00 18.37 O -ATOM 2730 N PRO A 360 112.300 32.537 26.752 1.00 20.17 N -ATOM 2731 CA PRO A 360 113.131 31.590 25.997 1.00 19.37 C -ATOM 2732 C PRO A 360 113.104 30.149 26.528 1.00 18.72 C -ATOM 2733 O PRO A 360 113.095 29.199 25.747 1.00 19.28 O -ATOM 2734 CB PRO A 360 114.518 32.209 26.119 1.00 19.16 C -ATOM 2735 CG PRO A 360 114.457 32.894 27.460 1.00 18.45 C -ATOM 2736 CD PRO A 360 113.140 33.569 27.385 1.00 18.28 C -ATOM 2737 N ALA A 361 113.090 29.992 27.849 1.00 18.39 N -ATOM 2738 CA ALA A 361 113.069 28.671 28.487 1.00 18.80 C -ATOM 2739 C ALA A 361 111.811 27.879 28.159 1.00 19.81 C -ATOM 2740 O ALA A 361 111.866 26.656 28.017 1.00 20.05 O -ATOM 2741 CB ALA A 361 113.217 28.802 29.976 1.00 17.27 C -ATOM 2742 N ASN A 362 110.682 28.582 28.042 1.00 21.52 N -ATOM 2743 CA ASN A 362 109.396 27.961 27.709 1.00 21.62 C -ATOM 2744 C ASN A 362 109.439 27.493 26.268 1.00 22.23 C -ATOM 2745 O ASN A 362 109.057 26.363 25.960 1.00 22.09 O -ATOM 2746 CB ASN A 362 108.248 28.944 27.874 1.00 20.78 C -ATOM 2747 CG ASN A 362 107.964 29.266 29.319 1.00 22.64 C -ATOM 2748 OD1 ASN A 362 108.220 28.459 30.219 1.00 22.68 O -ATOM 2749 ND2 ASN A 362 107.422 30.458 29.557 1.00 24.06 N -ATOM 2750 N ARG A 363 109.906 28.366 25.386 1.00 21.92 N -ATOM 2751 CA ARG A 363 110.016 28.012 23.985 1.00 22.55 C -ATOM 2752 C ARG A 363 110.928 26.795 23.812 1.00 22.81 C -ATOM 2753 O ARG A 363 110.612 25.895 23.040 1.00 23.05 O -ATOM 2754 CB ARG A 363 110.536 29.197 23.174 1.00 22.19 C -ATOM 2755 CG ARG A 363 109.441 29.960 22.450 1.00 24.44 C -ATOM 2756 CD ARG A 363 109.986 31.216 21.816 1.00 25.57 C -ATOM 2757 NE ARG A 363 110.401 32.135 22.859 1.00 27.44 N -ATOM 2758 CZ ARG A 363 111.481 32.895 22.812 1.00 27.71 C -ATOM 2759 NH1 ARG A 363 112.285 32.851 21.763 1.00 26.65 N -ATOM 2760 NH2 ARG A 363 111.742 33.703 23.826 1.00 28.32 N -ATOM 2761 N GLU A 364 112.046 26.753 24.540 1.00 22.87 N -ATOM 2762 CA GLU A 364 112.962 25.620 24.422 1.00 22.39 C -ATOM 2763 C GLU A 364 112.201 24.356 24.803 1.00 18.58 C -ATOM 2764 O GLU A 364 112.289 23.348 24.131 1.00 18.23 O -ATOM 2765 CB GLU A 364 114.204 25.781 25.318 1.00 26.05 C -ATOM 2766 CG GLU A 364 115.387 24.907 24.861 1.00 32.89 C -ATOM 2767 CD GLU A 364 116.328 24.434 25.995 1.00 36.71 C -ATOM 2768 OE1 GLU A 364 117.280 25.172 26.366 1.00 39.34 O -ATOM 2769 OE2 GLU A 364 116.144 23.288 26.475 1.00 38.69 O -ATOM 2770 N LYS A 365 111.415 24.441 25.862 1.00 16.14 N -ATOM 2771 CA LYS A 365 110.636 23.308 26.320 1.00 13.69 C -ATOM 2772 C LYS A 365 109.632 22.870 25.267 1.00 13.73 C -ATOM 2773 O LYS A 365 109.697 21.760 24.753 1.00 14.07 O -ATOM 2774 CB LYS A 365 109.905 23.648 27.621 1.00 9.97 C -ATOM 2775 CG LYS A 365 109.133 22.478 28.144 1.00 8.28 C -ATOM 2776 CD LYS A 365 108.724 22.673 29.562 1.00 7.79 C -ATOM 2777 CE LYS A 365 107.655 23.721 29.712 1.00 9.31 C -ATOM 2778 NZ LYS A 365 107.265 23.846 31.152 1.00 11.91 N -ATOM 2779 N PHE A 366 108.710 23.759 24.930 1.00 14.07 N -ATOM 2780 CA PHE A 366 107.698 23.440 23.955 1.00 14.60 C -ATOM 2781 C PHE A 366 108.256 22.998 22.593 1.00 16.86 C -ATOM 2782 O PHE A 366 107.798 21.983 22.050 1.00 18.37 O -ATOM 2783 CB PHE A 366 106.684 24.587 23.847 1.00 12.55 C -ATOM 2784 CG PHE A 366 105.736 24.666 25.027 1.00 11.12 C -ATOM 2785 CD1 PHE A 366 106.061 25.401 26.155 1.00 11.70 C -ATOM 2786 CD2 PHE A 366 104.553 23.958 25.030 1.00 10.48 C -ATOM 2787 CE1 PHE A 366 105.227 25.421 27.265 1.00 10.61 C -ATOM 2788 CE2 PHE A 366 103.720 23.970 26.128 1.00 10.29 C -ATOM 2789 CZ PHE A 366 104.060 24.707 27.251 1.00 10.48 C -ATOM 2790 N ALA A 367 109.278 23.685 22.077 1.00 17.25 N -ATOM 2791 CA ALA A 367 109.869 23.327 20.771 1.00 17.83 C -ATOM 2792 C ALA A 367 110.432 21.912 20.783 1.00 17.97 C -ATOM 2793 O ALA A 367 110.206 21.125 19.858 1.00 18.28 O -ATOM 2794 CB ALA A 367 110.972 24.318 20.372 1.00 16.38 C -ATOM 2795 N LYS A 368 111.158 21.591 21.850 1.00 17.40 N -ATOM 2796 CA LYS A 368 111.753 20.282 22.004 1.00 15.10 C -ATOM 2797 C LYS A 368 110.642 19.270 21.942 1.00 14.63 C -ATOM 2798 O LYS A 368 110.611 18.435 21.056 1.00 13.76 O -ATOM 2799 CB LYS A 368 112.458 20.181 23.346 1.00 14.86 C -ATOM 2800 CG LYS A 368 113.088 18.832 23.576 1.00 17.03 C -ATOM 2801 CD LYS A 368 114.089 18.856 24.696 1.00 17.79 C -ATOM 2802 CE LYS A 368 114.809 17.538 24.732 1.00 21.58 C -ATOM 2803 NZ LYS A 368 113.856 16.405 25.004 1.00 25.66 N -ATOM 2804 N ALA A 369 109.678 19.425 22.843 1.00 15.54 N -ATOM 2805 CA ALA A 369 108.528 18.538 22.936 1.00 12.83 C -ATOM 2806 C ALA A 369 107.822 18.359 21.609 1.00 12.24 C -ATOM 2807 O ALA A 369 107.604 17.244 21.178 1.00 13.35 O -ATOM 2808 CB ALA A 369 107.569 19.058 23.967 1.00 11.92 C -ATOM 2809 N TRP A 370 107.484 19.449 20.940 1.00 12.29 N -ATOM 2810 CA TRP A 370 106.782 19.347 19.660 1.00 13.57 C -ATOM 2811 C TRP A 370 107.718 18.926 18.536 1.00 14.64 C -ATOM 2812 O TRP A 370 107.317 18.825 17.380 1.00 14.95 O -ATOM 2813 CB TRP A 370 106.006 20.661 19.344 1.00 10.68 C -ATOM 2814 CG TRP A 370 105.028 20.947 20.428 1.00 8.59 C -ATOM 2815 CD1 TRP A 370 104.693 20.102 21.442 1.00 6.80 C -ATOM 2816 CD2 TRP A 370 104.348 22.185 20.705 1.00 10.17 C -ATOM 2817 NE1 TRP A 370 103.878 20.729 22.345 1.00 8.23 N -ATOM 2818 CE2 TRP A 370 103.646 22.008 21.925 1.00 8.75 C -ATOM 2819 CE3 TRP A 370 104.267 23.426 20.053 1.00 10.58 C -ATOM 2820 CZ2 TRP A 370 102.877 23.026 22.504 1.00 5.96 C -ATOM 2821 CZ3 TRP A 370 103.489 24.450 20.643 1.00 7.13 C -ATOM 2822 CH2 TRP A 370 102.814 24.234 21.851 1.00 5.42 C -ATOM 2823 N GLY A 371 108.972 18.683 18.890 1.00 16.58 N -ATOM 2824 CA GLY A 371 109.957 18.266 17.916 1.00 19.54 C -ATOM 2825 C GLY A 371 110.119 19.303 16.838 1.00 22.09 C -ATOM 2826 O GLY A 371 110.188 18.980 15.659 1.00 23.89 O -ATOM 2827 N VAL A 372 110.138 20.562 17.242 1.00 24.36 N -ATOM 2828 CA VAL A 372 110.288 21.670 16.313 1.00 26.05 C -ATOM 2829 C VAL A 372 111.535 22.494 16.710 1.00 26.67 C -ATOM 2830 O VAL A 372 111.937 22.491 17.878 1.00 27.01 O -ATOM 2831 CB VAL A 372 108.962 22.473 16.243 1.00 24.81 C -ATOM 2832 CG1 VAL A 372 109.197 23.953 16.449 1.00 25.11 C -ATOM 2833 CG2 VAL A 372 108.278 22.196 14.909 1.00 23.31 C -ATOM 2834 N GLU A 373 112.165 23.144 15.731 1.00 27.12 N -ATOM 2835 CA GLU A 373 113.396 23.907 15.967 1.00 27.89 C -ATOM 2836 C GLU A 373 113.199 25.224 16.693 1.00 26.47 C -ATOM 2837 O GLU A 373 113.948 25.548 17.614 1.00 26.18 O -ATOM 2838 CB GLU A 373 114.176 24.119 14.661 1.00 30.13 C -ATOM 2839 CG GLU A 373 115.624 24.532 14.891 1.00 37.53 C -ATOM 2840 CD GLU A 373 116.575 24.204 13.726 1.00 40.79 C -ATOM 2841 OE1 GLU A 373 116.739 25.067 12.828 1.00 42.75 O -ATOM 2842 OE2 GLU A 373 117.188 23.103 13.736 1.00 41.93 O -ATOM 2843 N SER A 374 112.198 25.986 16.271 1.00 25.58 N -ATOM 2844 CA SER A 374 111.890 27.266 16.899 1.00 23.25 C -ATOM 2845 C SER A 374 110.394 27.450 16.950 1.00 21.03 C -ATOM 2846 O SER A 374 109.675 27.070 16.013 1.00 21.53 O -ATOM 2847 CB SER A 374 112.462 28.447 16.101 1.00 23.07 C -ATOM 2848 OG SER A 374 113.871 28.384 16.000 1.00 27.85 O -ATOM 2849 N LEU A 375 109.922 27.969 18.072 1.00 17.32 N -ATOM 2850 CA LEU A 375 108.516 28.287 18.208 1.00 15.41 C -ATOM 2851 C LEU A 375 108.554 29.820 18.149 1.00 15.61 C -ATOM 2852 O LEU A 375 109.527 30.424 18.608 1.00 15.30 O -ATOM 2853 CB LEU A 375 107.974 27.795 19.540 1.00 11.35 C -ATOM 2854 CG LEU A 375 107.865 26.281 19.591 1.00 7.63 C -ATOM 2855 CD1 LEU A 375 107.527 25.864 20.974 1.00 8.78 C -ATOM 2856 CD2 LEU A 375 106.831 25.800 18.626 1.00 6.43 C -ATOM 2857 N PRO A 376 107.606 30.452 17.428 1.00 15.01 N -ATOM 2858 CA PRO A 376 107.623 31.909 17.360 1.00 14.38 C -ATOM 2859 C PRO A 376 107.685 32.539 18.744 1.00 14.47 C -ATOM 2860 O PRO A 376 107.153 31.980 19.706 1.00 14.98 O -ATOM 2861 CB PRO A 376 106.327 32.231 16.603 1.00 13.06 C -ATOM 2862 CG PRO A 376 105.505 31.028 16.750 1.00 13.90 C -ATOM 2863 CD PRO A 376 106.509 29.928 16.607 1.00 14.69 C -ATOM 2864 N ALA A 377 108.370 33.681 18.839 1.00 14.22 N -ATOM 2865 CA ALA A 377 108.538 34.390 20.110 1.00 13.15 C -ATOM 2866 C ALA A 377 107.761 35.685 20.219 1.00 12.71 C -ATOM 2867 O ALA A 377 107.549 36.213 21.308 1.00 13.19 O -ATOM 2868 CB ALA A 377 109.978 34.644 20.361 1.00 13.48 C -ATOM 2869 N HIS A 378 107.336 36.211 19.088 1.00 12.72 N -ATOM 2870 CA HIS A 378 106.570 37.436 19.108 1.00 13.18 C -ATOM 2871 C HIS A 378 105.072 37.105 19.198 1.00 15.73 C -ATOM 2872 O HIS A 378 104.580 36.136 18.574 1.00 15.89 O -ATOM 2873 CB HIS A 378 106.863 38.252 17.865 1.00 12.46 C -ATOM 2874 CG HIS A 378 106.498 37.556 16.602 1.00 13.88 C -ATOM 2875 ND1 HIS A 378 107.151 36.424 16.165 1.00 16.59 N -ATOM 2876 CD2 HIS A 378 105.532 37.809 15.691 1.00 14.49 C -ATOM 2877 CE1 HIS A 378 106.604 36.011 15.039 1.00 16.90 C -ATOM 2878 NE2 HIS A 378 105.619 36.836 14.731 1.00 15.93 N -ATOM 2879 N THR A 379 104.369 37.917 19.989 1.00 16.37 N -ATOM 2880 CA THR A 379 102.946 37.788 20.232 1.00 14.64 C -ATOM 2881 C THR A 379 102.157 37.781 18.958 1.00 14.49 C -ATOM 2882 O THR A 379 102.463 38.498 18.022 1.00 13.42 O -ATOM 2883 CB THR A 379 102.467 38.910 21.129 1.00 14.28 C -ATOM 2884 OG1 THR A 379 103.287 38.920 22.294 1.00 14.61 O -ATOM 2885 CG2 THR A 379 101.016 38.689 21.573 1.00 16.63 C -ATOM 2886 N GLY A 380 101.139 36.945 18.929 1.00 16.50 N -ATOM 2887 CA GLY A 380 100.328 36.836 17.744 1.00 19.00 C -ATOM 2888 C GLY A 380 99.299 37.926 17.658 1.00 19.39 C -ATOM 2889 O GLY A 380 99.252 38.815 18.504 1.00 18.79 O -ATOM 2890 N TYR A 381 98.481 37.837 16.617 1.00 20.65 N -ATOM 2891 CA TYR A 381 97.412 38.783 16.377 1.00 21.45 C -ATOM 2892 C TYR A 381 96.240 38.413 17.263 1.00 21.11 C -ATOM 2893 O TYR A 381 96.016 37.245 17.566 1.00 22.48 O -ATOM 2894 CB TYR A 381 96.983 38.742 14.907 1.00 21.14 C -ATOM 2895 CG TYR A 381 97.981 39.363 13.967 1.00 22.41 C -ATOM 2896 CD1 TYR A 381 98.665 40.522 14.314 1.00 21.13 C -ATOM 2897 CD2 TYR A 381 98.245 38.785 12.726 1.00 23.85 C -ATOM 2898 CE1 TYR A 381 99.583 41.082 13.456 1.00 22.88 C -ATOM 2899 CE2 TYR A 381 99.161 39.338 11.854 1.00 22.62 C -ATOM 2900 CZ TYR A 381 99.832 40.486 12.218 1.00 23.64 C -ATOM 2901 OH TYR A 381 100.764 41.038 11.354 1.00 25.24 O -ATOM 2902 N ARG A 382 95.502 39.416 17.692 1.00 21.43 N -ATOM 2903 CA ARG A 382 94.343 39.187 18.530 1.00 23.16 C -ATOM 2904 C ARG A 382 93.146 39.107 17.566 1.00 22.91 C -ATOM 2905 O ARG A 382 93.035 39.917 16.644 1.00 23.20 O -ATOM 2906 CB ARG A 382 94.194 40.352 19.513 1.00 23.68 C -ATOM 2907 CG ARG A 382 95.512 40.921 19.982 1.00 24.56 C -ATOM 2908 CD ARG A 382 95.853 40.509 21.373 1.00 27.73 C -ATOM 2909 NE ARG A 382 96.394 41.653 22.106 1.00 32.20 N -ATOM 2910 CZ ARG A 382 97.084 41.573 23.243 1.00 34.68 C -ATOM 2911 NH1 ARG A 382 97.345 40.385 23.797 1.00 38.44 N -ATOM 2912 NH2 ARG A 382 97.484 42.683 23.855 1.00 34.79 N -ATOM 2913 N ILE A 383 92.253 38.146 17.772 1.00 21.99 N -ATOM 2914 CA ILE A 383 91.111 37.995 16.884 1.00 20.95 C -ATOM 2915 C ILE A 383 90.260 39.267 16.725 1.00 21.15 C -ATOM 2916 O ILE A 383 89.571 39.428 15.714 1.00 20.17 O -ATOM 2917 CB ILE A 383 90.237 36.753 17.285 1.00 20.87 C -ATOM 2918 CG1 ILE A 383 89.161 36.464 16.234 1.00 20.01 C -ATOM 2919 CG2 ILE A 383 89.598 36.964 18.626 1.00 19.31 C -ATOM 2920 CD1 ILE A 383 89.708 36.078 14.888 1.00 18.53 C -ATOM 2921 N SER A 384 90.296 40.171 17.706 1.00 21.95 N -ATOM 2922 CA SER A 384 89.517 41.417 17.601 1.00 21.90 C -ATOM 2923 C SER A 384 90.120 42.400 16.586 1.00 22.68 C -ATOM 2924 O SER A 384 89.466 43.348 16.180 1.00 24.50 O -ATOM 2925 CB SER A 384 89.360 42.099 18.965 1.00 21.24 C -ATOM 2926 OG SER A 384 90.596 42.568 19.468 1.00 20.36 O -ATOM 2927 N GLU A 385 91.348 42.148 16.150 1.00 22.70 N -ATOM 2928 CA GLU A 385 92.013 42.999 15.171 1.00 23.56 C -ATOM 2929 C GLU A 385 91.837 42.426 13.776 1.00 24.34 C -ATOM 2930 O GLU A 385 92.342 43.009 12.804 1.00 25.88 O -ATOM 2931 CB GLU A 385 93.523 43.041 15.422 1.00 24.62 C -ATOM 2932 CG GLU A 385 93.930 43.305 16.853 1.00 28.75 C -ATOM 2933 CD GLU A 385 95.422 43.096 17.093 1.00 30.84 C -ATOM 2934 OE1 GLU A 385 96.085 42.412 16.269 1.00 30.79 O -ATOM 2935 OE2 GLU A 385 95.926 43.611 18.123 1.00 31.77 O -ATOM 2936 N LEU A 386 91.164 41.276 13.666 1.00 23.56 N -ATOM 2937 CA LEU A 386 91.004 40.594 12.372 1.00 21.39 C -ATOM 2938 C LEU A 386 90.614 41.517 11.238 1.00 20.54 C -ATOM 2939 O LEU A 386 91.349 41.640 10.265 1.00 20.93 O -ATOM 2940 CB LEU A 386 90.039 39.393 12.465 1.00 20.11 C -ATOM 2941 CG LEU A 386 89.857 38.463 11.242 1.00 18.69 C -ATOM 2942 CD1 LEU A 386 91.183 37.958 10.697 1.00 16.14 C -ATOM 2943 CD2 LEU A 386 88.968 37.295 11.603 1.00 15.61 C -ATOM 2944 N PRO A 387 89.518 42.266 11.397 1.00 19.51 N -ATOM 2945 CA PRO A 387 89.087 43.175 10.331 1.00 19.37 C -ATOM 2946 C PRO A 387 90.165 44.173 9.914 1.00 19.17 C -ATOM 2947 O PRO A 387 90.237 44.567 8.752 1.00 20.79 O -ATOM 2948 CB PRO A 387 87.883 43.890 10.955 1.00 19.69 C -ATOM 2949 CG PRO A 387 87.362 42.918 11.978 1.00 19.36 C -ATOM 2950 CD PRO A 387 88.647 42.390 12.579 1.00 19.46 C -ATOM 2951 N HIS A 388 91.009 44.571 10.858 1.00 18.63 N -ATOM 2952 CA HIS A 388 92.063 45.529 10.578 1.00 17.97 C -ATOM 2953 C HIS A 388 93.238 44.918 9.845 1.00 19.34 C -ATOM 2954 O HIS A 388 93.843 45.574 8.991 1.00 18.29 O -ATOM 2955 CB HIS A 388 92.581 46.165 11.854 1.00 16.39 C -ATOM 2956 CG HIS A 388 93.877 46.880 11.664 1.00 16.72 C -ATOM 2957 ND1 HIS A 388 93.952 48.132 11.090 1.00 17.75 N -ATOM 2958 CD2 HIS A 388 95.153 46.495 11.905 1.00 16.32 C -ATOM 2959 CE1 HIS A 388 95.221 48.486 10.982 1.00 19.42 C -ATOM 2960 NE2 HIS A 388 95.969 47.509 11.468 1.00 18.61 N -ATOM 2961 N ARG A 389 93.631 43.716 10.273 1.00 20.76 N -ATOM 2962 CA ARG A 389 94.755 42.990 9.673 1.00 20.67 C -ATOM 2963 C ARG A 389 94.343 42.532 8.281 1.00 21.23 C -ATOM 2964 O ARG A 389 95.110 42.607 7.319 1.00 20.82 O -ATOM 2965 CB ARG A 389 95.065 41.744 10.494 1.00 21.73 C -ATOM 2966 CG ARG A 389 95.352 41.971 11.950 1.00 22.04 C -ATOM 2967 CD ARG A 389 96.709 42.528 12.159 1.00 21.52 C -ATOM 2968 NE ARG A 389 96.797 43.053 13.505 1.00 24.80 N -ATOM 2969 CZ ARG A 389 97.826 43.738 13.976 1.00 25.56 C -ATOM 2970 NH1 ARG A 389 98.880 43.972 13.208 1.00 26.44 N -ATOM 2971 NH2 ARG A 389 97.770 44.242 15.198 1.00 25.66 N -ATOM 2972 N ALA A 390 93.111 42.052 8.206 1.00 20.85 N -ATOM 2973 CA ALA A 390 92.525 41.558 6.992 1.00 20.62 C -ATOM 2974 C ALA A 390 92.489 42.648 5.952 1.00 21.48 C -ATOM 2975 O ALA A 390 92.852 42.441 4.801 1.00 22.89 O -ATOM 2976 CB ALA A 390 91.137 41.089 7.285 1.00 20.67 C -ATOM 2977 N ALA A 391 92.043 43.823 6.360 1.00 23.00 N -ATOM 2978 CA ALA A 391 91.942 44.945 5.433 1.00 23.13 C -ATOM 2979 C ALA A 391 93.301 45.353 4.946 1.00 22.04 C -ATOM 2980 O ALA A 391 93.472 45.684 3.790 1.00 24.54 O -ATOM 2981 CB ALA A 391 91.262 46.124 6.103 1.00 22.99 C -ATOM 2982 N HIS A 392 94.279 45.295 5.835 1.00 20.97 N -ATOM 2983 CA HIS A 392 95.622 45.697 5.495 1.00 20.21 C -ATOM 2984 C HIS A 392 96.401 44.640 4.744 1.00 20.85 C -ATOM 2985 O HIS A 392 97.517 44.893 4.305 1.00 22.58 O -ATOM 2986 CB HIS A 392 96.370 46.128 6.754 1.00 19.33 C -ATOM 2987 CG HIS A 392 96.039 47.516 7.206 1.00 20.81 C -ATOM 2988 ND1 HIS A 392 96.923 48.565 7.101 1.00 23.52 N -ATOM 2989 CD2 HIS A 392 94.917 48.033 7.764 1.00 22.61 C -ATOM 2990 CE1 HIS A 392 96.365 49.668 7.574 1.00 23.53 C -ATOM 2991 NE2 HIS A 392 95.146 49.370 7.981 1.00 22.70 N -ATOM 2992 N GLY A 393 95.821 43.456 4.588 1.00 21.10 N -ATOM 2993 CA GLY A 393 96.516 42.385 3.890 1.00 20.38 C -ATOM 2994 C GLY A 393 97.604 41.837 4.787 1.00 20.62 C -ATOM 2995 O GLY A 393 98.586 41.241 4.338 1.00 22.41 O -ATOM 2996 N GLU A 394 97.424 42.064 6.076 1.00 19.26 N -ATOM 2997 CA GLU A 394 98.357 41.620 7.079 1.00 19.22 C -ATOM 2998 C GLU A 394 98.035 40.188 7.434 1.00 17.83 C -ATOM 2999 O GLU A 394 98.892 39.459 7.909 1.00 19.33 O -ATOM 3000 CB GLU A 394 98.192 42.497 8.294 1.00 21.88 C -ATOM 3001 CG GLU A 394 99.414 42.651 9.119 1.00 25.12 C -ATOM 3002 CD GLU A 394 99.473 44.028 9.706 1.00 27.34 C -ATOM 3003 OE1 GLU A 394 98.588 44.373 10.517 1.00 28.09 O -ATOM 3004 OE2 GLU A 394 100.376 44.785 9.308 1.00 31.60 O -ATOM 3005 N VAL A 395 96.771 39.819 7.263 1.00 16.11 N -ATOM 3006 CA VAL A 395 96.267 38.473 7.521 1.00 14.17 C -ATOM 3007 C VAL A 395 95.499 38.082 6.252 1.00 15.06 C -ATOM 3008 O VAL A 395 94.864 38.929 5.630 1.00 14.66 O -ATOM 3009 CB VAL A 395 95.375 38.447 8.760 1.00 12.17 C -ATOM 3010 CG1 VAL A 395 94.562 37.203 8.788 1.00 11.61 C -ATOM 3011 CG2 VAL A 395 96.232 38.524 10.005 1.00 10.86 C -ATOM 3012 N ARG A 396 95.591 36.820 5.844 1.00 16.75 N -ATOM 3013 CA ARG A 396 94.965 36.354 4.606 1.00 18.92 C -ATOM 3014 C ARG A 396 94.026 35.145 4.664 1.00 18.41 C -ATOM 3015 O ARG A 396 93.382 34.788 3.658 1.00 18.51 O -ATOM 3016 CB ARG A 396 96.041 36.125 3.535 1.00 21.32 C -ATOM 3017 CG ARG A 396 96.583 37.441 2.986 1.00 23.69 C -ATOM 3018 CD ARG A 396 97.775 37.254 2.093 1.00 25.41 C -ATOM 3019 NE ARG A 396 98.411 38.549 1.931 1.00 29.67 N -ATOM 3020 CZ ARG A 396 98.706 39.132 0.770 1.00 31.35 C -ATOM 3021 NH1 ARG A 396 98.448 38.541 -0.395 1.00 29.34 N -ATOM 3022 NH2 ARG A 396 99.254 40.341 0.786 1.00 32.99 N -ATOM 3023 N ALA A 397 93.915 34.557 5.846 1.00 15.67 N -ATOM 3024 CA ALA A 397 93.066 33.408 6.035 1.00 14.37 C -ATOM 3025 C ALA A 397 92.801 33.302 7.513 1.00 14.80 C -ATOM 3026 O ALA A 397 93.649 33.676 8.327 1.00 17.16 O -ATOM 3027 CB ALA A 397 93.763 32.162 5.540 1.00 14.11 C -ATOM 3028 N ALA A 398 91.615 32.840 7.873 1.00 13.40 N -ATOM 3029 CA ALA A 398 91.292 32.680 9.275 1.00 14.32 C -ATOM 3030 C ALA A 398 90.713 31.303 9.477 1.00 14.19 C -ATOM 3031 O ALA A 398 89.873 30.851 8.693 1.00 17.26 O -ATOM 3032 CB ALA A 398 90.299 33.742 9.742 1.00 13.85 C -ATOM 3033 N TYR A 399 91.175 30.631 10.516 1.00 11.92 N -ATOM 3034 CA TYR A 399 90.685 29.312 10.830 1.00 10.66 C -ATOM 3035 C TYR A 399 89.814 29.549 12.053 1.00 10.08 C -ATOM 3036 O TYR A 399 90.258 29.354 13.178 1.00 11.34 O -ATOM 3037 CB TYR A 399 91.869 28.378 11.141 1.00 9.35 C -ATOM 3038 CG TYR A 399 91.515 26.915 11.270 1.00 6.74 C -ATOM 3039 CD1 TYR A 399 90.187 26.510 11.379 1.00 7.90 C -ATOM 3040 CD2 TYR A 399 92.505 25.937 11.314 1.00 5.35 C -ATOM 3041 CE1 TYR A 399 89.848 25.175 11.538 1.00 8.03 C -ATOM 3042 CE2 TYR A 399 92.180 24.592 11.468 1.00 6.29 C -ATOM 3043 CZ TYR A 399 90.845 24.229 11.587 1.00 8.45 C -ATOM 3044 OH TYR A 399 90.490 22.934 11.836 1.00 10.76 O -ATOM 3045 N ILE A 400 88.603 30.050 11.825 1.00 9.05 N -ATOM 3046 CA ILE A 400 87.649 30.334 12.892 1.00 6.73 C -ATOM 3047 C ILE A 400 86.973 29.063 13.381 1.00 8.12 C -ATOM 3048 O ILE A 400 86.272 28.387 12.624 1.00 9.84 O -ATOM 3049 CB ILE A 400 86.586 31.316 12.409 1.00 5.14 C -ATOM 3050 CG1 ILE A 400 87.216 32.700 12.230 1.00 4.09 C -ATOM 3051 CG2 ILE A 400 85.399 31.332 13.359 1.00 4.53 C -ATOM 3052 CD1 ILE A 400 86.875 33.348 10.933 1.00 3.81 C -ATOM 3053 N MET A 401 87.203 28.718 14.641 1.00 8.26 N -ATOM 3054 CA MET A 401 86.610 27.527 15.209 1.00 9.87 C -ATOM 3055 C MET A 401 85.667 27.908 16.349 1.00 12.15 C -ATOM 3056 O MET A 401 85.870 28.914 17.026 1.00 14.59 O -ATOM 3057 CB MET A 401 87.704 26.586 15.713 1.00 9.53 C -ATOM 3058 CG MET A 401 87.193 25.376 16.510 1.00 9.40 C -ATOM 3059 SD MET A 401 88.529 24.285 17.044 1.00 8.39 S -ATOM 3060 CE MET A 401 89.008 25.066 18.606 1.00 7.37 C -ATOM 3061 N GLY A 402 84.594 27.141 16.493 1.00 11.87 N -ATOM 3062 CA GLY A 402 83.624 27.351 17.548 1.00 11.72 C -ATOM 3063 C GLY A 402 83.281 28.760 17.953 1.00 12.52 C -ATOM 3064 O GLY A 402 83.252 29.079 19.156 1.00 11.60 O -ATOM 3065 N GLU A 403 83.002 29.604 16.963 1.00 13.98 N -ATOM 3066 CA GLU A 403 82.639 31.001 17.233 1.00 14.07 C -ATOM 3067 C GLU A 403 81.666 31.559 16.211 1.00 14.20 C -ATOM 3068 O GLU A 403 81.621 31.097 15.073 1.00 13.09 O -ATOM 3069 CB GLU A 403 83.863 31.888 17.202 1.00 12.91 C -ATOM 3070 CG GLU A 403 84.916 31.538 18.179 1.00 14.27 C -ATOM 3071 CD GLU A 403 85.936 32.634 18.298 1.00 17.75 C -ATOM 3072 OE1 GLU A 403 85.881 33.567 17.442 1.00 18.36 O -ATOM 3073 OE2 GLU A 403 86.768 32.569 19.253 1.00 17.28 O -ATOM 3074 N ASP A 404 80.929 32.592 16.609 1.00 15.10 N -ATOM 3075 CA ASP A 404 79.995 33.234 15.704 1.00 15.95 C -ATOM 3076 C ASP A 404 80.224 34.731 15.629 1.00 17.63 C -ATOM 3077 O ASP A 404 79.321 35.516 15.927 1.00 19.45 O -ATOM 3078 CB ASP A 404 78.562 32.974 16.122 1.00 14.17 C -ATOM 3079 CG ASP A 404 77.599 33.208 15.002 1.00 14.29 C -ATOM 3080 OD1 ASP A 404 78.021 33.232 13.827 1.00 15.95 O -ATOM 3081 OD2 ASP A 404 76.406 33.374 15.278 1.00 16.77 O -ATOM 3082 N PRO A 405 81.403 35.153 15.142 1.00 18.78 N -ATOM 3083 CA PRO A 405 81.704 36.584 15.043 1.00 18.73 C -ATOM 3084 C PRO A 405 80.647 37.419 14.327 1.00 18.93 C -ATOM 3085 O PRO A 405 80.229 38.427 14.855 1.00 19.32 O -ATOM 3086 CB PRO A 405 83.058 36.604 14.318 1.00 19.20 C -ATOM 3087 CG PRO A 405 83.044 35.352 13.508 1.00 18.88 C -ATOM 3088 CD PRO A 405 82.454 34.359 14.481 1.00 18.98 C -ATOM 3089 N LEU A 406 80.158 36.944 13.183 1.00 20.35 N -ATOM 3090 CA LEU A 406 79.152 37.659 12.396 1.00 20.72 C -ATOM 3091 C LEU A 406 77.846 37.935 13.115 1.00 21.74 C -ATOM 3092 O LEU A 406 76.890 38.393 12.506 1.00 24.87 O -ATOM 3093 CB LEU A 406 78.835 36.930 11.090 1.00 19.86 C -ATOM 3094 CG LEU A 406 79.776 37.057 9.894 1.00 18.74 C -ATOM 3095 CD1 LEU A 406 79.154 36.357 8.735 1.00 19.43 C -ATOM 3096 CD2 LEU A 406 79.994 38.483 9.522 1.00 19.16 C -ATOM 3097 N GLN A 407 77.776 37.634 14.397 1.00 22.11 N -ATOM 3098 CA GLN A 407 76.578 37.894 15.171 1.00 21.83 C -ATOM 3099 C GLN A 407 77.050 38.451 16.521 1.00 23.44 C -ATOM 3100 O GLN A 407 76.409 39.340 17.079 1.00 24.56 O -ATOM 3101 CB GLN A 407 75.782 36.596 15.313 1.00 20.46 C -ATOM 3102 CG GLN A 407 74.797 36.538 16.453 1.00 21.64 C -ATOM 3103 CD GLN A 407 73.629 37.482 16.282 1.00 24.98 C -ATOM 3104 OE1 GLN A 407 73.207 37.772 15.166 1.00 25.59 O -ATOM 3105 NE2 GLN A 407 73.061 37.930 17.398 1.00 27.35 N -ATOM 3106 N THR A 408 78.202 37.999 17.018 1.00 23.32 N -ATOM 3107 CA THR A 408 78.694 38.485 18.309 1.00 23.78 C -ATOM 3108 C THR A 408 79.733 39.615 18.330 1.00 24.93 C -ATOM 3109 O THR A 408 79.883 40.308 19.354 1.00 24.83 O -ATOM 3110 CB THR A 408 79.226 37.352 19.151 1.00 22.53 C -ATOM 3111 OG1 THR A 408 79.968 36.460 18.317 1.00 22.22 O -ATOM 3112 CG2 THR A 408 78.096 36.637 19.834 1.00 22.48 C -ATOM 3113 N ASP A 409 80.446 39.799 17.222 1.00 24.22 N -ATOM 3114 CA ASP A 409 81.452 40.840 17.149 1.00 24.68 C -ATOM 3115 C ASP A 409 80.842 42.220 17.045 1.00 24.40 C -ATOM 3116 O ASP A 409 79.802 42.396 16.426 1.00 24.23 O -ATOM 3117 CB ASP A 409 82.385 40.587 15.982 1.00 27.55 C -ATOM 3118 CG ASP A 409 83.376 39.471 16.264 1.00 32.04 C -ATOM 3119 OD1 ASP A 409 83.061 38.567 17.080 1.00 35.66 O -ATOM 3120 OD2 ASP A 409 84.479 39.499 15.680 1.00 34.22 O -ATOM 3121 N ALA A 410 81.462 43.185 17.721 1.00 24.40 N -ATOM 3122 CA ALA A 410 80.997 44.575 17.694 1.00 23.58 C -ATOM 3123 C ALA A 410 81.146 45.107 16.283 1.00 22.23 C -ATOM 3124 O ALA A 410 82.099 44.770 15.595 1.00 22.61 O -ATOM 3125 CB ALA A 410 81.803 45.428 18.669 1.00 22.96 C -ATOM 3126 N GLU A 411 80.164 45.868 15.825 1.00 23.14 N -ATOM 3127 CA GLU A 411 80.223 46.439 14.478 1.00 24.82 C -ATOM 3128 C GLU A 411 80.209 45.366 13.364 1.00 25.12 C -ATOM 3129 O GLU A 411 81.062 45.364 12.466 1.00 24.19 O -ATOM 3130 CB GLU A 411 81.474 47.311 14.374 1.00 25.23 C -ATOM 3131 CG GLU A 411 81.534 48.194 13.165 1.00 26.95 C -ATOM 3132 CD GLU A 411 82.203 49.505 13.465 1.00 28.55 C -ATOM 3133 OE1 GLU A 411 82.554 49.752 14.647 1.00 29.63 O -ATOM 3134 OE2 GLU A 411 82.353 50.303 12.518 1.00 28.78 O -ATOM 3135 N LEU A 412 79.210 44.483 13.413 1.00 24.87 N -ATOM 3136 CA LEU A 412 79.042 43.393 12.447 1.00 23.63 C -ATOM 3137 C LEU A 412 79.291 43.735 10.955 1.00 23.36 C -ATOM 3138 O LEU A 412 79.684 42.866 10.166 1.00 20.58 O -ATOM 3139 CB LEU A 412 77.664 42.753 12.643 1.00 22.40 C -ATOM 3140 CG LEU A 412 77.400 42.182 14.045 1.00 21.12 C -ATOM 3141 CD1 LEU A 412 76.019 41.557 14.113 1.00 20.00 C -ATOM 3142 CD2 LEU A 412 78.445 41.140 14.367 1.00 20.60 C -ATOM 3143 N SER A 413 79.094 44.998 10.585 1.00 24.62 N -ATOM 3144 CA SER A 413 79.333 45.424 9.205 1.00 26.60 C -ATOM 3145 C SER A 413 80.820 45.310 8.920 1.00 27.56 C -ATOM 3146 O SER A 413 81.225 44.932 7.815 1.00 29.40 O -ATOM 3147 CB SER A 413 78.856 46.866 8.973 1.00 27.55 C -ATOM 3148 OG SER A 413 79.484 47.790 9.847 1.00 28.83 O -ATOM 3149 N ALA A 414 81.627 45.606 9.937 1.00 27.81 N -ATOM 3150 CA ALA A 414 83.084 45.522 9.833 1.00 27.53 C -ATOM 3151 C ALA A 414 83.532 44.088 9.625 1.00 27.58 C -ATOM 3152 O ALA A 414 84.352 43.815 8.754 1.00 28.01 O -ATOM 3153 CB ALA A 414 83.738 46.089 11.080 1.00 27.08 C -ATOM 3154 N VAL A 415 82.976 43.166 10.405 1.00 28.64 N -ATOM 3155 CA VAL A 415 83.343 41.756 10.301 1.00 30.02 C -ATOM 3156 C VAL A 415 82.935 41.158 8.964 1.00 30.61 C -ATOM 3157 O VAL A 415 83.566 40.227 8.486 1.00 29.59 O -ATOM 3158 CB VAL A 415 82.731 40.914 11.425 1.00 30.47 C -ATOM 3159 CG1 VAL A 415 83.314 39.504 11.398 1.00 31.16 C -ATOM 3160 CG2 VAL A 415 82.989 41.570 12.763 1.00 31.68 C -ATOM 3161 N ARG A 416 81.859 41.670 8.378 1.00 32.36 N -ATOM 3162 CA ARG A 416 81.440 41.163 7.086 1.00 33.82 C -ATOM 3163 C ARG A 416 82.520 41.489 6.050 1.00 34.19 C -ATOM 3164 O ARG A 416 83.064 40.580 5.431 1.00 35.06 O -ATOM 3165 CB ARG A 416 80.072 41.715 6.700 1.00 34.53 C -ATOM 3166 CG ARG A 416 78.958 41.183 7.600 1.00 37.19 C -ATOM 3167 CD ARG A 416 77.615 41.811 7.301 1.00 39.03 C -ATOM 3168 NE ARG A 416 76.858 41.109 6.274 1.00 43.55 N -ATOM 3169 CZ ARG A 416 76.314 41.687 5.203 1.00 46.12 C -ATOM 3170 NH1 ARG A 416 76.452 42.996 5.003 1.00 47.29 N -ATOM 3171 NH2 ARG A 416 75.598 40.958 4.345 1.00 45.66 N -ATOM 3172 N LYS A 417 82.892 42.763 5.922 1.00 33.52 N -ATOM 3173 CA LYS A 417 83.933 43.160 4.968 1.00 32.11 C -ATOM 3174 C LYS A 417 85.194 42.371 5.284 1.00 31.03 C -ATOM 3175 O LYS A 417 85.952 42.003 4.377 1.00 30.83 O -ATOM 3176 CB LYS A 417 84.253 44.651 5.105 1.00 33.36 C -ATOM 3177 CG LYS A 417 85.126 45.214 3.995 1.00 35.54 C -ATOM 3178 CD LYS A 417 84.304 45.474 2.735 1.00 39.62 C -ATOM 3179 CE LYS A 417 85.030 46.410 1.737 1.00 42.48 C -ATOM 3180 NZ LYS A 417 84.127 47.030 0.696 1.00 40.95 N -ATOM 3181 N ALA A 418 85.426 42.131 6.578 1.00 29.29 N -ATOM 3182 CA ALA A 418 86.598 41.386 7.030 1.00 26.40 C -ATOM 3183 C ALA A 418 86.555 40.041 6.339 1.00 24.98 C -ATOM 3184 O ALA A 418 87.502 39.665 5.643 1.00 25.06 O -ATOM 3185 CB ALA A 418 86.593 41.217 8.552 1.00 24.14 C -ATOM 3186 N PHE A 419 85.415 39.367 6.463 1.00 23.54 N -ATOM 3187 CA PHE A 419 85.205 38.068 5.837 1.00 23.49 C -ATOM 3188 C PHE A 419 85.366 38.173 4.326 1.00 22.97 C -ATOM 3189 O PHE A 419 85.733 37.209 3.679 1.00 22.59 O -ATOM 3190 CB PHE A 419 83.811 37.525 6.183 1.00 23.54 C -ATOM 3191 CG PHE A 419 83.799 36.557 7.351 1.00 23.71 C -ATOM 3192 CD1 PHE A 419 84.694 36.701 8.407 1.00 23.63 C -ATOM 3193 CD2 PHE A 419 82.914 35.476 7.365 1.00 22.49 C -ATOM 3194 CE1 PHE A 419 84.714 35.782 9.449 1.00 23.57 C -ATOM 3195 CE2 PHE A 419 82.929 34.552 8.397 1.00 21.95 C -ATOM 3196 CZ PHE A 419 83.826 34.701 9.441 1.00 23.75 C -ATOM 3197 N GLU A 420 85.133 39.371 3.798 1.00 25.06 N -ATOM 3198 CA GLU A 420 85.220 39.677 2.373 1.00 26.89 C -ATOM 3199 C GLU A 420 86.624 40.093 1.961 1.00 25.48 C -ATOM 3200 O GLU A 420 86.941 40.076 0.781 1.00 26.50 O -ATOM 3201 CB GLU A 420 84.197 40.773 1.995 1.00 31.93 C -ATOM 3202 CG GLU A 420 84.298 41.317 0.545 1.00 39.43 C -ATOM 3203 CD GLU A 420 84.218 42.871 0.445 1.00 43.98 C -ATOM 3204 OE1 GLU A 420 83.129 43.443 0.730 1.00 44.44 O -ATOM 3205 OE2 GLU A 420 85.244 43.512 0.071 1.00 44.97 O -ATOM 3206 N ASP A 421 87.463 40.478 2.918 1.00 24.55 N -ATOM 3207 CA ASP A 421 88.833 40.869 2.597 1.00 24.29 C -ATOM 3208 C ASP A 421 89.841 39.733 2.755 1.00 25.04 C -ATOM 3209 O ASP A 421 91.009 39.890 2.378 1.00 26.88 O -ATOM 3210 CB ASP A 421 89.282 42.056 3.447 1.00 23.85 C -ATOM 3211 CG ASP A 421 88.623 43.372 3.038 1.00 24.55 C -ATOM 3212 OD1 ASP A 421 88.269 43.566 1.848 1.00 25.40 O -ATOM 3213 OD2 ASP A 421 88.477 44.234 3.925 1.00 24.89 O -ATOM 3214 N LEU A 422 89.412 38.613 3.348 1.00 24.46 N -ATOM 3215 CA LEU A 422 90.284 37.450 3.567 1.00 22.19 C -ATOM 3216 C LEU A 422 90.268 36.548 2.345 1.00 21.65 C -ATOM 3217 O LEU A 422 89.262 36.456 1.675 1.00 20.61 O -ATOM 3218 CB LEU A 422 89.833 36.669 4.807 1.00 20.25 C -ATOM 3219 CG LEU A 422 89.999 37.367 6.164 1.00 19.06 C -ATOM 3220 CD1 LEU A 422 89.128 36.687 7.218 1.00 17.50 C -ATOM 3221 CD2 LEU A 422 91.464 37.381 6.589 1.00 16.01 C -ATOM 3222 N GLU A 423 91.399 35.922 2.032 1.00 23.18 N -ATOM 3223 CA GLU A 423 91.490 35.031 0.873 1.00 23.12 C -ATOM 3224 C GLU A 423 90.620 33.832 1.144 1.00 24.07 C -ATOM 3225 O GLU A 423 89.749 33.477 0.341 1.00 25.81 O -ATOM 3226 CB GLU A 423 92.920 34.507 0.664 1.00 22.96 C -ATOM 3227 CG GLU A 423 93.939 35.488 0.096 1.00 26.88 C -ATOM 3228 CD GLU A 423 95.116 34.789 -0.611 1.00 29.98 C -ATOM 3229 OE1 GLU A 423 95.034 33.568 -0.898 1.00 32.59 O -ATOM 3230 OE2 GLU A 423 96.119 35.466 -0.911 1.00 30.43 O -ATOM 3231 N LEU A 424 90.888 33.211 2.293 1.00 23.46 N -ATOM 3232 CA LEU A 424 90.214 32.004 2.740 1.00 21.25 C -ATOM 3233 C LEU A 424 89.680 32.172 4.152 1.00 21.17 C -ATOM 3234 O LEU A 424 90.368 32.707 5.009 1.00 22.49 O -ATOM 3235 CB LEU A 424 91.234 30.877 2.747 1.00 19.96 C -ATOM 3236 CG LEU A 424 90.807 29.538 3.315 1.00 19.72 C -ATOM 3237 CD1 LEU A 424 89.735 28.926 2.433 1.00 20.14 C -ATOM 3238 CD2 LEU A 424 92.016 28.646 3.366 1.00 19.74 C -ATOM 3239 N VAL A 425 88.474 31.675 4.403 1.00 20.09 N -ATOM 3240 CA VAL A 425 87.847 31.745 5.721 1.00 17.38 C -ATOM 3241 C VAL A 425 87.282 30.356 6.045 1.00 17.21 C -ATOM 3242 O VAL A 425 86.376 29.870 5.350 1.00 17.31 O -ATOM 3243 CB VAL A 425 86.702 32.735 5.727 1.00 15.89 C -ATOM 3244 CG1 VAL A 425 85.944 32.649 7.055 1.00 15.93 C -ATOM 3245 CG2 VAL A 425 87.228 34.128 5.476 1.00 15.42 C -ATOM 3246 N ILE A 426 87.821 29.726 7.084 1.00 14.36 N -ATOM 3247 CA ILE A 426 87.405 28.390 7.487 1.00 11.72 C -ATOM 3248 C ILE A 426 86.681 28.440 8.823 1.00 11.13 C -ATOM 3249 O ILE A 426 87.213 28.957 9.814 1.00 10.41 O -ATOM 3250 CB ILE A 426 88.628 27.475 7.644 1.00 11.31 C -ATOM 3251 CG1 ILE A 426 89.457 27.491 6.355 1.00 10.71 C -ATOM 3252 CG2 ILE A 426 88.192 26.077 8.061 1.00 8.38 C -ATOM 3253 CD1 ILE A 426 90.923 27.241 6.569 1.00 10.81 C -ATOM 3254 N VAL A 427 85.480 27.879 8.849 1.00 8.58 N -ATOM 3255 CA VAL A 427 84.694 27.860 10.056 1.00 6.23 C -ATOM 3256 C VAL A 427 84.491 26.439 10.468 1.00 5.34 C -ATOM 3257 O VAL A 427 84.072 25.594 9.677 1.00 4.49 O -ATOM 3258 CB VAL A 427 83.315 28.523 9.865 1.00 6.72 C -ATOM 3259 CG1 VAL A 427 82.455 28.340 11.120 1.00 7.65 C -ATOM 3260 CG2 VAL A 427 83.484 29.997 9.558 1.00 6.71 C -ATOM 3261 N GLN A 428 84.809 26.173 11.718 1.00 5.50 N -ATOM 3262 CA GLN A 428 84.643 24.845 12.264 1.00 6.92 C -ATOM 3263 C GLN A 428 83.584 25.016 13.341 1.00 7.74 C -ATOM 3264 O GLN A 428 83.827 25.608 14.406 1.00 5.56 O -ATOM 3265 CB GLN A 428 85.960 24.340 12.845 1.00 7.28 C -ATOM 3266 CG GLN A 428 85.973 22.901 13.250 1.00 5.85 C -ATOM 3267 CD GLN A 428 87.360 22.369 13.191 1.00 9.28 C -ATOM 3268 OE1 GLN A 428 87.926 22.238 12.101 1.00 11.59 O -ATOM 3269 NE2 GLN A 428 87.961 22.123 14.349 1.00 9.21 N -ATOM 3270 N ASP A 429 82.393 24.529 13.035 1.00 7.95 N -ATOM 3271 CA ASP A 429 81.301 24.659 13.944 1.00 9.28 C -ATOM 3272 C ASP A 429 80.447 23.399 13.939 1.00 11.16 C -ATOM 3273 O ASP A 429 80.756 22.411 13.268 1.00 11.87 O -ATOM 3274 CB ASP A 429 80.472 25.884 13.585 1.00 8.08 C -ATOM 3275 CG ASP A 429 79.801 26.493 14.781 1.00 9.58 C -ATOM 3276 OD1 ASP A 429 80.403 27.358 15.422 1.00 14.26 O -ATOM 3277 OD2 ASP A 429 78.665 26.127 15.108 1.00 12.26 O -ATOM 3278 N ILE A 430 79.355 23.487 14.688 1.00 10.56 N -ATOM 3279 CA ILE A 430 78.407 22.444 14.924 1.00 8.04 C -ATOM 3280 C ILE A 430 77.012 22.886 14.413 1.00 9.17 C -ATOM 3281 O ILE A 430 76.096 22.074 14.301 1.00 9.37 O -ATOM 3282 CB ILE A 430 78.505 22.178 16.460 1.00 8.24 C -ATOM 3283 CG1 ILE A 430 78.969 20.775 16.725 1.00 10.89 C -ATOM 3284 CG2 ILE A 430 77.287 22.569 17.251 1.00 10.17 C -ATOM 3285 CD1 ILE A 430 80.310 20.737 17.339 1.00 12.70 C -ATOM 3286 N PHE A 431 76.892 24.152 14.004 1.00 9.69 N -ATOM 3287 CA PHE A 431 75.631 24.749 13.493 1.00 8.59 C -ATOM 3288 C PHE A 431 75.826 25.709 12.312 1.00 9.58 C -ATOM 3289 O PHE A 431 76.852 26.396 12.203 1.00 7.42 O -ATOM 3290 CB PHE A 431 74.942 25.550 14.579 1.00 4.79 C -ATOM 3291 CG PHE A 431 74.231 24.729 15.571 1.00 2.00 C -ATOM 3292 CD1 PHE A 431 73.135 23.991 15.209 1.00 3.92 C -ATOM 3293 CD2 PHE A 431 74.612 24.741 16.882 1.00 2.00 C -ATOM 3294 CE1 PHE A 431 72.424 23.275 16.163 1.00 4.48 C -ATOM 3295 CE2 PHE A 431 73.916 24.038 17.834 1.00 2.00 C -ATOM 3296 CZ PHE A 431 72.823 23.307 17.482 1.00 2.87 C -ATOM 3297 N MET A 432 74.817 25.804 11.455 1.00 12.10 N -ATOM 3298 CA MET A 432 74.922 26.697 10.312 1.00 15.29 C -ATOM 3299 C MET A 432 74.641 28.143 10.757 1.00 16.92 C -ATOM 3300 O MET A 432 73.579 28.721 10.499 1.00 18.14 O -ATOM 3301 CB MET A 432 73.987 26.254 9.196 1.00 15.74 C -ATOM 3302 CG MET A 432 74.126 27.087 7.949 1.00 16.99 C -ATOM 3303 SD MET A 432 75.817 27.152 7.401 1.00 20.81 S -ATOM 3304 CE MET A 432 75.877 25.697 6.377 1.00 17.20 C -ATOM 3305 N THR A 433 75.614 28.719 11.450 1.00 17.03 N -ATOM 3306 CA THR A 433 75.496 30.078 11.963 1.00 15.94 C -ATOM 3307 C THR A 433 75.603 31.109 10.833 1.00 16.26 C -ATOM 3308 O THR A 433 75.862 30.763 9.672 1.00 15.76 O -ATOM 3309 CB THR A 433 76.656 30.368 12.952 1.00 14.22 C -ATOM 3310 OG1 THR A 433 77.896 30.284 12.241 1.00 9.47 O -ATOM 3311 CG2 THR A 433 76.654 29.391 14.121 1.00 12.50 C -ATOM 3312 N LYS A 434 75.388 32.375 11.176 1.00 16.27 N -ATOM 3313 CA LYS A 434 75.559 33.426 10.202 1.00 16.71 C -ATOM 3314 C LYS A 434 77.034 33.376 9.785 1.00 17.75 C -ATOM 3315 O LYS A 434 77.353 33.589 8.607 1.00 19.51 O -ATOM 3316 CB LYS A 434 75.290 34.794 10.809 1.00 17.54 C -ATOM 3317 CG LYS A 434 73.861 35.118 11.113 1.00 17.11 C -ATOM 3318 CD LYS A 434 73.795 36.543 11.652 1.00 16.39 C -ATOM 3319 CE LYS A 434 72.395 36.865 12.104 1.00 18.50 C -ATOM 3320 NZ LYS A 434 72.244 38.257 12.613 1.00 19.15 N -ATOM 3321 N THR A 435 77.932 33.099 10.739 1.00 16.07 N -ATOM 3322 CA THR A 435 79.359 33.038 10.422 1.00 15.34 C -ATOM 3323 C THR A 435 79.710 31.873 9.514 1.00 14.85 C -ATOM 3324 O THR A 435 80.486 32.029 8.589 1.00 13.50 O -ATOM 3325 CB THR A 435 80.223 32.923 11.676 1.00 16.92 C -ATOM 3326 OG1 THR A 435 80.067 34.093 12.488 1.00 17.54 O -ATOM 3327 CG2 THR A 435 81.683 32.752 11.300 1.00 17.10 C -ATOM 3328 N ALA A 436 79.151 30.697 9.785 1.00 15.64 N -ATOM 3329 CA ALA A 436 79.453 29.525 8.965 1.00 17.21 C -ATOM 3330 C ALA A 436 78.930 29.711 7.537 1.00 19.19 C -ATOM 3331 O ALA A 436 79.579 29.282 6.560 1.00 21.33 O -ATOM 3332 CB ALA A 436 78.884 28.252 9.595 1.00 14.96 C -ATOM 3333 N SER A 437 77.790 30.396 7.409 1.00 18.23 N -ATOM 3334 CA SER A 437 77.199 30.632 6.103 1.00 16.37 C -ATOM 3335 C SER A 437 78.067 31.517 5.236 1.00 15.64 C -ATOM 3336 O SER A 437 78.060 31.370 4.027 1.00 17.88 O -ATOM 3337 CB SER A 437 75.819 31.226 6.242 1.00 15.56 C -ATOM 3338 OG SER A 437 75.885 32.350 7.074 1.00 17.54 O -ATOM 3339 N ALA A 438 78.837 32.412 5.833 1.00 13.78 N -ATOM 3340 CA ALA A 438 79.701 33.275 5.046 1.00 12.43 C -ATOM 3341 C ALA A 438 81.080 32.685 4.991 1.00 13.37 C -ATOM 3342 O ALA A 438 82.057 33.431 5.011 1.00 15.05 O -ATOM 3343 CB ALA A 438 79.779 34.645 5.668 1.00 10.40 C -ATOM 3344 N ALA A 439 81.193 31.364 4.923 1.00 13.82 N -ATOM 3345 CA ALA A 439 82.525 30.752 4.905 1.00 14.91 C -ATOM 3346 C ALA A 439 82.958 30.211 3.560 1.00 16.15 C -ATOM 3347 O ALA A 439 82.136 29.942 2.687 1.00 17.00 O -ATOM 3348 CB ALA A 439 82.622 29.649 5.953 1.00 14.03 C -ATOM 3349 N ASP A 440 84.267 30.100 3.378 1.00 17.35 N -ATOM 3350 CA ASP A 440 84.805 29.546 2.144 1.00 17.43 C -ATOM 3351 C ASP A 440 84.772 28.033 2.267 1.00 16.71 C -ATOM 3352 O ASP A 440 84.377 27.323 1.340 1.00 18.37 O -ATOM 3353 CB ASP A 440 86.221 30.039 1.915 1.00 18.54 C -ATOM 3354 CG ASP A 440 86.256 31.492 1.591 1.00 20.06 C -ATOM 3355 OD1 ASP A 440 85.398 31.901 0.796 1.00 23.06 O -ATOM 3356 OD2 ASP A 440 87.101 32.231 2.144 1.00 21.40 O -ATOM 3357 N VAL A 441 85.174 27.537 3.420 1.00 14.12 N -ATOM 3358 CA VAL A 441 85.135 26.112 3.645 1.00 13.29 C -ATOM 3359 C VAL A 441 84.651 25.811 5.077 1.00 11.38 C -ATOM 3360 O VAL A 441 85.145 26.383 6.043 1.00 10.68 O -ATOM 3361 CB VAL A 441 86.498 25.456 3.256 1.00 13.07 C -ATOM 3362 CG1 VAL A 441 87.638 26.306 3.689 1.00 13.87 C -ATOM 3363 CG2 VAL A 441 86.637 24.083 3.851 1.00 15.13 C -ATOM 3364 N ILE A 442 83.584 25.026 5.180 1.00 10.41 N -ATOM 3365 CA ILE A 442 83.007 24.637 6.467 1.00 11.46 C -ATOM 3366 C ILE A 442 83.423 23.220 6.783 1.00 12.28 C -ATOM 3367 O ILE A 442 83.426 22.367 5.891 1.00 13.76 O -ATOM 3368 CB ILE A 442 81.458 24.661 6.439 1.00 11.06 C -ATOM 3369 CG1 ILE A 442 80.932 26.096 6.543 1.00 11.71 C -ATOM 3370 CG2 ILE A 442 80.895 23.846 7.581 1.00 10.92 C -ATOM 3371 CD1 ILE A 442 79.793 26.369 5.630 1.00 11.82 C -ATOM 3372 N LEU A 443 83.721 22.964 8.055 1.00 11.77 N -ATOM 3373 CA LEU A 443 84.136 21.642 8.528 1.00 10.62 C -ATOM 3374 C LEU A 443 83.342 21.387 9.814 1.00 11.94 C -ATOM 3375 O LEU A 443 83.520 22.086 10.810 1.00 11.42 O -ATOM 3376 CB LEU A 443 85.644 21.646 8.822 1.00 9.58 C -ATOM 3377 CG LEU A 443 86.580 22.078 7.682 1.00 8.41 C -ATOM 3378 CD1 LEU A 443 87.941 22.387 8.234 1.00 8.15 C -ATOM 3379 CD2 LEU A 443 86.666 21.016 6.602 1.00 6.06 C -ATOM 3380 N PRO A 444 82.467 20.367 9.818 1.00 13.93 N -ATOM 3381 CA PRO A 444 81.663 20.074 11.012 1.00 14.45 C -ATOM 3382 C PRO A 444 82.365 19.236 12.056 1.00 14.17 C -ATOM 3383 O PRO A 444 83.185 18.385 11.714 1.00 15.25 O -ATOM 3384 CB PRO A 444 80.427 19.382 10.436 1.00 14.00 C -ATOM 3385 CG PRO A 444 80.925 18.736 9.131 1.00 16.02 C -ATOM 3386 CD PRO A 444 82.290 19.327 8.787 1.00 15.30 C -ATOM 3387 N SER A 445 82.010 19.447 13.321 1.00 12.99 N -ATOM 3388 CA SER A 445 82.629 18.720 14.426 1.00 13.17 C -ATOM 3389 C SER A 445 81.629 18.121 15.412 1.00 13.57 C -ATOM 3390 O SER A 445 80.452 18.456 15.405 1.00 14.18 O -ATOM 3391 CB SER A 445 83.545 19.655 15.188 1.00 13.17 C -ATOM 3392 OG SER A 445 82.775 20.568 15.957 1.00 12.89 O -ATOM 3393 N THR A 446 82.097 17.257 16.296 1.00 14.38 N -ATOM 3394 CA THR A 446 81.187 16.659 17.255 1.00 15.32 C -ATOM 3395 C THR A 446 80.795 17.666 18.330 1.00 16.03 C -ATOM 3396 O THR A 446 81.645 18.417 18.825 1.00 18.97 O -ATOM 3397 CB THR A 446 81.791 15.401 17.907 1.00 16.31 C -ATOM 3398 OG1 THR A 446 82.952 15.748 18.681 1.00 14.44 O -ATOM 3399 CG2 THR A 446 82.163 14.369 16.836 1.00 15.43 C -ATOM 3400 N SER A 447 79.503 17.711 18.645 1.00 15.62 N -ATOM 3401 CA SER A 447 78.935 18.596 19.664 1.00 14.79 C -ATOM 3402 C SER A 447 79.189 18.054 21.070 1.00 15.30 C -ATOM 3403 O SER A 447 79.645 16.909 21.244 1.00 14.34 O -ATOM 3404 CB SER A 447 77.431 18.753 19.416 1.00 15.35 C -ATOM 3405 OG SER A 447 76.748 19.371 20.491 1.00 16.63 O -ATOM 3406 N TRP A 448 78.832 18.859 22.064 1.00 15.06 N -ATOM 3407 CA TRP A 448 79.024 18.524 23.471 1.00 15.70 C -ATOM 3408 C TRP A 448 78.665 17.120 23.929 1.00 17.98 C -ATOM 3409 O TRP A 448 79.559 16.391 24.393 1.00 21.92 O -ATOM 3410 CB TRP A 448 78.408 19.615 24.346 1.00 12.95 C -ATOM 3411 CG TRP A 448 77.988 19.295 25.754 1.00 9.27 C -ATOM 3412 CD1 TRP A 448 78.771 19.254 26.872 1.00 7.33 C -ATOM 3413 CD2 TRP A 448 76.639 19.182 26.209 1.00 7.89 C -ATOM 3414 NE1 TRP A 448 77.990 19.143 27.989 1.00 4.47 N -ATOM 3415 CE2 TRP A 448 76.676 19.099 27.608 1.00 6.69 C -ATOM 3416 CE3 TRP A 448 75.394 19.146 25.555 1.00 7.62 C -ATOM 3417 CZ2 TRP A 448 75.511 18.991 28.377 1.00 8.90 C -ATOM 3418 CZ3 TRP A 448 74.249 19.035 26.306 1.00 7.31 C -ATOM 3419 CH2 TRP A 448 74.309 18.956 27.707 1.00 7.26 C -ATOM 3420 N GLY A 449 77.418 16.689 23.771 1.00 16.72 N -ATOM 3421 CA GLY A 449 77.094 15.332 24.212 1.00 15.00 C -ATOM 3422 C GLY A 449 77.686 14.192 23.367 1.00 14.29 C -ATOM 3423 O GLY A 449 77.594 13.020 23.735 1.00 14.84 O -ATOM 3424 N GLU A 450 78.335 14.533 22.257 1.00 12.86 N -ATOM 3425 CA GLU A 450 78.894 13.547 21.343 1.00 10.89 C -ATOM 3426 C GLU A 450 80.407 13.317 21.516 1.00 9.86 C -ATOM 3427 O GLU A 450 81.052 12.660 20.702 1.00 9.50 O -ATOM 3428 CB GLU A 450 78.600 13.987 19.894 1.00 10.81 C -ATOM 3429 CG GLU A 450 77.457 14.987 19.718 1.00 8.51 C -ATOM 3430 CD GLU A 450 76.946 15.071 18.281 1.00 9.72 C -ATOM 3431 OE1 GLU A 450 76.106 14.225 17.931 1.00 13.03 O -ATOM 3432 OE2 GLU A 450 77.334 15.978 17.498 1.00 7.14 O -ATOM 3433 N HIS A 451 80.986 13.867 22.569 1.00 9.26 N -ATOM 3434 CA HIS A 451 82.422 13.727 22.788 1.00 7.00 C -ATOM 3435 C HIS A 451 82.723 14.081 24.255 1.00 7.51 C -ATOM 3436 O HIS A 451 81.795 14.436 24.993 1.00 8.50 O -ATOM 3437 CB HIS A 451 83.188 14.621 21.796 1.00 5.31 C -ATOM 3438 CG HIS A 451 82.986 16.096 22.009 1.00 7.20 C -ATOM 3439 ND1 HIS A 451 82.823 16.989 20.969 1.00 4.31 N -ATOM 3440 CD2 HIS A 451 82.916 16.830 23.149 1.00 7.05 C -ATOM 3441 CE1 HIS A 451 82.654 18.201 21.461 1.00 5.94 C -ATOM 3442 NE2 HIS A 451 82.708 18.134 22.780 1.00 6.00 N -ATOM 3443 N GLU A 452 83.998 14.051 24.656 1.00 6.90 N -ATOM 3444 CA GLU A 452 84.406 14.317 26.040 1.00 6.91 C -ATOM 3445 C GLU A 452 85.681 15.173 26.191 1.00 9.33 C -ATOM 3446 O GLU A 452 86.335 15.576 25.197 1.00 8.75 O -ATOM 3447 CB GLU A 452 84.691 13.002 26.746 1.00 4.68 C -ATOM 3448 CG GLU A 452 85.924 12.365 26.144 1.00 8.54 C -ATOM 3449 CD GLU A 452 86.515 11.219 26.936 1.00 10.75 C -ATOM 3450 OE1 GLU A 452 86.123 10.998 28.115 1.00 13.78 O -ATOM 3451 OE2 GLU A 452 87.388 10.535 26.351 1.00 7.93 O -ATOM 3452 N GLY A 453 86.075 15.347 27.455 1.00 9.29 N -ATOM 3453 CA GLY A 453 87.250 16.111 27.781 1.00 8.79 C -ATOM 3454 C GLY A 453 87.101 16.769 29.140 1.00 10.60 C -ATOM 3455 O GLY A 453 86.368 16.260 30.003 1.00 9.32 O -ATOM 3456 N VAL A 454 87.769 17.920 29.304 1.00 10.68 N -ATOM 3457 CA VAL A 454 87.778 18.704 30.546 1.00 10.54 C -ATOM 3458 C VAL A 454 87.360 20.158 30.222 1.00 11.26 C -ATOM 3459 O VAL A 454 87.567 20.629 29.083 1.00 11.36 O -ATOM 3460 CB VAL A 454 89.234 18.728 31.118 1.00 10.26 C -ATOM 3461 CG1 VAL A 454 89.312 19.415 32.472 1.00 9.74 C -ATOM 3462 CG2 VAL A 454 89.771 17.327 31.220 1.00 10.22 C -ATOM 3463 N PHE A 455 86.747 20.843 31.195 1.00 9.37 N -ATOM 3464 CA PHE A 455 86.336 22.253 31.074 1.00 7.55 C -ATOM 3465 C PHE A 455 86.834 22.912 32.341 1.00 8.37 C -ATOM 3466 O PHE A 455 86.954 22.233 33.367 1.00 9.92 O -ATOM 3467 CB PHE A 455 84.826 22.389 31.121 1.00 7.34 C -ATOM 3468 CG PHE A 455 84.144 22.200 29.802 1.00 7.46 C -ATOM 3469 CD1 PHE A 455 84.873 22.144 28.621 1.00 7.10 C -ATOM 3470 CD2 PHE A 455 82.759 22.087 29.749 1.00 5.30 C -ATOM 3471 CE1 PHE A 455 84.234 21.977 27.416 1.00 5.55 C -ATOM 3472 CE2 PHE A 455 82.126 21.924 28.563 1.00 4.77 C -ATOM 3473 CZ PHE A 455 82.867 21.868 27.385 1.00 7.04 C -ATOM 3474 N THR A 456 87.085 24.218 32.316 1.00 7.73 N -ATOM 3475 CA THR A 456 87.517 24.903 33.543 1.00 7.20 C -ATOM 3476 C THR A 456 86.423 25.870 34.019 1.00 7.14 C -ATOM 3477 O THR A 456 86.033 26.765 33.278 1.00 6.89 O -ATOM 3478 CB THR A 456 88.862 25.641 33.338 1.00 5.60 C -ATOM 3479 OG1 THR A 456 89.831 24.708 32.856 1.00 7.38 O -ATOM 3480 CG2 THR A 456 89.382 26.175 34.631 1.00 3.96 C -ATOM 3481 N ALA A 457 85.891 25.652 35.226 1.00 6.80 N -ATOM 3482 CA ALA A 457 84.841 26.522 35.778 1.00 6.66 C -ATOM 3483 C ALA A 457 85.395 27.938 35.993 1.00 8.33 C -ATOM 3484 O ALA A 457 86.622 28.140 36.001 1.00 7.53 O -ATOM 3485 CB ALA A 457 84.302 25.953 37.097 1.00 3.37 C -ATOM 3486 N ALA A 458 84.497 28.898 36.227 1.00 9.23 N -ATOM 3487 CA ALA A 458 84.873 30.303 36.414 1.00 10.43 C -ATOM 3488 C ALA A 458 86.090 30.536 37.296 1.00 12.10 C -ATOM 3489 O ALA A 458 86.967 31.328 36.940 1.00 13.78 O -ATOM 3490 CB ALA A 458 83.681 31.125 36.926 1.00 9.83 C -ATOM 3491 N ASP A 459 86.158 29.806 38.410 1.00 13.96 N -ATOM 3492 CA ASP A 459 87.232 29.896 39.417 1.00 12.53 C -ATOM 3493 C ASP A 459 88.346 28.915 39.185 1.00 11.87 C -ATOM 3494 O ASP A 459 88.748 28.242 40.111 1.00 13.69 O -ATOM 3495 CB ASP A 459 86.653 29.571 40.794 1.00 14.26 C -ATOM 3496 CG ASP A 459 85.971 28.173 40.839 1.00 16.30 C -ATOM 3497 OD1 ASP A 459 85.861 27.497 39.794 1.00 15.84 O -ATOM 3498 OD2 ASP A 459 85.527 27.744 41.924 1.00 17.93 O -ATOM 3499 N ARG A 460 88.823 28.785 37.960 1.00 12.46 N -ATOM 3500 CA ARG A 460 89.911 27.840 37.627 1.00 12.27 C -ATOM 3501 C ARG A 460 89.769 26.369 38.078 1.00 11.96 C -ATOM 3502 O ARG A 460 90.761 25.630 38.153 1.00 11.53 O -ATOM 3503 CB ARG A 460 91.289 28.422 38.007 1.00 11.67 C -ATOM 3504 CG ARG A 460 91.291 29.177 39.286 1.00 9.49 C -ATOM 3505 CD ARG A 460 92.575 29.861 39.646 1.00 9.72 C -ATOM 3506 NE ARG A 460 92.338 30.453 40.953 1.00 9.79 N -ATOM 3507 CZ ARG A 460 92.198 29.743 42.065 1.00 11.06 C -ATOM 3508 NH1 ARG A 460 92.318 28.426 42.031 1.00 12.10 N -ATOM 3509 NH2 ARG A 460 91.755 30.320 43.170 1.00 12.85 N -ATOM 3510 N GLY A 461 88.525 25.924 38.279 1.00 11.58 N -ATOM 3511 CA GLY A 461 88.272 24.553 38.702 1.00 10.23 C -ATOM 3512 C GLY A 461 88.080 23.524 37.592 1.00 9.24 C -ATOM 3513 O GLY A 461 87.038 23.510 36.933 1.00 8.42 O -ATOM 3514 N PHE A 462 89.086 22.673 37.376 1.00 8.47 N -ATOM 3515 CA PHE A 462 89.029 21.622 36.359 1.00 8.14 C -ATOM 3516 C PHE A 462 87.912 20.618 36.639 1.00 9.04 C -ATOM 3517 O PHE A 462 87.730 20.173 37.779 1.00 10.20 O -ATOM 3518 CB PHE A 462 90.314 20.822 36.338 1.00 8.11 C -ATOM 3519 CG PHE A 462 91.461 21.528 35.750 1.00 10.18 C -ATOM 3520 CD1 PHE A 462 91.330 22.212 34.547 1.00 11.96 C -ATOM 3521 CD2 PHE A 462 92.712 21.476 36.381 1.00 10.34 C -ATOM 3522 CE1 PHE A 462 92.437 22.836 33.964 1.00 12.80 C -ATOM 3523 CE2 PHE A 462 93.811 22.084 35.820 1.00 10.27 C -ATOM 3524 CZ PHE A 462 93.680 22.770 34.606 1.00 12.84 C -ATOM 3525 N GLN A 463 87.218 20.197 35.594 1.00 7.48 N -ATOM 3526 CA GLN A 463 86.161 19.233 35.758 1.00 8.88 C -ATOM 3527 C GLN A 463 86.074 18.454 34.462 1.00 11.12 C -ATOM 3528 O GLN A 463 86.277 19.019 33.368 1.00 11.95 O -ATOM 3529 CB GLN A 463 84.819 19.912 36.050 1.00 8.94 C -ATOM 3530 CG GLN A 463 84.662 20.481 37.430 1.00 8.23 C -ATOM 3531 CD GLN A 463 83.219 20.822 37.713 1.00 11.11 C -ATOM 3532 OE1 GLN A 463 82.711 21.862 37.276 1.00 11.56 O -ATOM 3533 NE2 GLN A 463 82.535 19.943 38.444 1.00 10.35 N -ATOM 3534 N ARG A 464 85.730 17.172 34.598 1.00 10.65 N -ATOM 3535 CA ARG A 464 85.616 16.252 33.488 1.00 9.61 C -ATOM 3536 C ARG A 464 84.190 16.169 32.960 1.00 10.39 C -ATOM 3537 O ARG A 464 83.226 16.294 33.714 1.00 10.76 O -ATOM 3538 CB ARG A 464 86.052 14.853 33.946 1.00 10.48 C -ATOM 3539 CG ARG A 464 87.561 14.591 33.995 1.00 9.52 C -ATOM 3540 CD ARG A 464 87.929 13.410 33.128 1.00 9.12 C -ATOM 3541 NE ARG A 464 87.600 13.667 31.728 1.00 11.36 N -ATOM 3542 CZ ARG A 464 87.240 12.740 30.833 1.00 12.88 C -ATOM 3543 NH1 ARG A 464 87.162 11.454 31.164 1.00 12.27 N -ATOM 3544 NH2 ARG A 464 86.906 13.120 29.605 1.00 13.39 N -ATOM 3545 N PHE A 465 84.071 15.948 31.654 1.00 10.68 N -ATOM 3546 CA PHE A 465 82.785 15.792 30.995 1.00 10.77 C -ATOM 3547 C PHE A 465 82.870 14.543 30.080 1.00 10.51 C -ATOM 3548 O PHE A 465 83.885 14.311 29.427 1.00 11.40 O -ATOM 3549 CB PHE A 465 82.308 17.118 30.333 1.00 9.62 C -ATOM 3550 CG PHE A 465 82.880 17.420 28.955 1.00 10.38 C -ATOM 3551 CD1 PHE A 465 82.185 17.043 27.800 1.00 11.79 C -ATOM 3552 CD2 PHE A 465 84.006 18.213 28.805 1.00 9.73 C -ATOM 3553 CE1 PHE A 465 82.589 17.458 26.522 1.00 10.73 C -ATOM 3554 CE2 PHE A 465 84.419 18.631 27.534 1.00 10.49 C -ATOM 3555 CZ PHE A 465 83.698 18.252 26.390 1.00 11.01 C -ATOM 3556 N PHE A 466 81.823 13.725 30.088 1.00 10.26 N -ATOM 3557 CA PHE A 466 81.807 12.459 29.365 1.00 10.90 C -ATOM 3558 C PHE A 466 80.937 12.330 28.117 1.00 12.38 C -ATOM 3559 O PHE A 466 79.908 12.994 27.993 1.00 15.31 O -ATOM 3560 CB PHE A 466 81.452 11.346 30.365 1.00 9.21 C -ATOM 3561 CG PHE A 466 82.390 11.278 31.564 1.00 8.55 C -ATOM 3562 CD1 PHE A 466 82.145 12.034 32.701 1.00 6.22 C -ATOM 3563 CD2 PHE A 466 83.549 10.492 31.522 1.00 7.86 C -ATOM 3564 CE1 PHE A 466 83.031 12.020 33.778 1.00 9.18 C -ATOM 3565 CE2 PHE A 466 84.447 10.471 32.598 1.00 8.02 C -ATOM 3566 CZ PHE A 466 84.188 11.239 33.727 1.00 7.50 C -ATOM 3567 N LYS A 467 81.347 11.466 27.190 1.00 11.98 N -ATOM 3568 CA LYS A 467 80.569 11.242 25.969 1.00 13.90 C -ATOM 3569 C LYS A 467 79.270 10.470 26.281 1.00 14.74 C -ATOM 3570 O LYS A 467 79.322 9.384 26.873 1.00 16.04 O -ATOM 3571 CB LYS A 467 81.375 10.430 24.943 1.00 13.58 C -ATOM 3572 CG LYS A 467 80.646 10.270 23.599 1.00 12.84 C -ATOM 3573 CD LYS A 467 81.187 9.141 22.734 1.00 11.41 C -ATOM 3574 CE LYS A 467 81.252 9.585 21.288 1.00 10.73 C -ATOM 3575 NZ LYS A 467 81.310 8.479 20.321 1.00 11.12 N -ATOM 3576 N ALA A 468 78.122 10.998 25.856 1.00 13.83 N -ATOM 3577 CA ALA A 468 76.856 10.323 26.115 1.00 13.30 C -ATOM 3578 C ALA A 468 76.299 9.605 24.912 1.00 14.73 C -ATOM 3579 O ALA A 468 75.657 8.554 25.027 1.00 15.83 O -ATOM 3580 CB ALA A 468 75.833 11.315 26.590 1.00 12.21 C -ATOM 3581 N VAL A 469 76.614 10.116 23.736 1.00 16.27 N -ATOM 3582 CA VAL A 469 76.017 9.560 22.551 1.00 17.03 C -ATOM 3583 C VAL A 469 76.962 9.533 21.348 1.00 17.17 C -ATOM 3584 O VAL A 469 78.118 9.879 21.476 1.00 19.32 O -ATOM 3585 CB VAL A 469 74.719 10.371 22.307 1.00 17.13 C -ATOM 3586 CG1 VAL A 469 74.961 11.558 21.388 1.00 17.60 C -ATOM 3587 CG2 VAL A 469 73.600 9.475 21.892 1.00 18.83 C -ATOM 3588 N GLU A 470 76.489 9.069 20.198 1.00 18.07 N -ATOM 3589 CA GLU A 470 77.314 9.000 19.000 1.00 18.26 C -ATOM 3590 C GLU A 470 76.755 9.985 18.016 1.00 18.37 C -ATOM 3591 O GLU A 470 75.557 10.241 18.017 1.00 19.88 O -ATOM 3592 CB GLU A 470 77.224 7.615 18.371 1.00 19.74 C -ATOM 3593 CG GLU A 470 77.680 6.481 19.265 1.00 23.78 C -ATOM 3594 CD GLU A 470 79.165 6.171 19.152 1.00 25.75 C -ATOM 3595 OE1 GLU A 470 79.842 6.692 18.228 1.00 26.27 O -ATOM 3596 OE2 GLU A 470 79.650 5.378 19.992 1.00 27.84 O -ATOM 3597 N PRO A 471 77.614 10.622 17.221 1.00 18.96 N -ATOM 3598 CA PRO A 471 77.079 11.579 16.251 1.00 20.15 C -ATOM 3599 C PRO A 471 76.318 10.816 15.166 1.00 22.37 C -ATOM 3600 O PRO A 471 76.693 9.699 14.831 1.00 23.30 O -ATOM 3601 CB PRO A 471 78.338 12.271 15.722 1.00 18.72 C -ATOM 3602 CG PRO A 471 79.426 11.298 15.978 1.00 17.98 C -ATOM 3603 CD PRO A 471 79.081 10.690 17.290 1.00 18.28 C -ATOM 3604 N LYS A 472 75.202 11.358 14.684 1.00 23.36 N -ATOM 3605 CA LYS A 472 74.450 10.657 13.650 1.00 24.59 C -ATOM 3606 C LYS A 472 75.083 10.852 12.284 1.00 24.79 C -ATOM 3607 O LYS A 472 74.645 10.255 11.296 1.00 26.53 O -ATOM 3608 CB LYS A 472 72.972 11.089 13.614 1.00 26.23 C -ATOM 3609 CG LYS A 472 72.194 10.733 14.882 1.00 30.60 C -ATOM 3610 CD LYS A 472 72.437 9.259 15.306 1.00 34.23 C -ATOM 3611 CE LYS A 472 72.161 8.995 16.810 1.00 33.67 C -ATOM 3612 NZ LYS A 472 73.377 8.493 17.532 1.00 30.46 N -ATOM 3613 N TRP A 473 76.132 11.659 12.224 1.00 23.13 N -ATOM 3614 CA TRP A 473 76.782 11.912 10.951 1.00 21.94 C -ATOM 3615 C TRP A 473 78.268 11.688 11.055 1.00 19.16 C -ATOM 3616 O TRP A 473 78.800 11.509 12.137 1.00 17.33 O -ATOM 3617 CB TRP A 473 76.516 13.341 10.487 1.00 24.16 C -ATOM 3618 CG TRP A 473 75.069 13.732 10.499 1.00 28.47 C -ATOM 3619 CD1 TRP A 473 74.131 13.423 9.561 1.00 29.83 C -ATOM 3620 CD2 TRP A 473 74.410 14.555 11.468 1.00 30.12 C -ATOM 3621 NE1 TRP A 473 72.933 14.012 9.879 1.00 30.94 N -ATOM 3622 CE2 TRP A 473 73.078 14.713 11.045 1.00 31.04 C -ATOM 3623 CE3 TRP A 473 74.819 15.170 12.658 1.00 31.73 C -ATOM 3624 CZ2 TRP A 473 72.148 15.463 11.765 1.00 32.96 C -ATOM 3625 CZ3 TRP A 473 73.897 15.910 13.377 1.00 33.09 C -ATOM 3626 CH2 TRP A 473 72.575 16.051 12.929 1.00 34.11 C -ATOM 3627 N ASP A 474 78.927 11.668 9.908 1.00 17.86 N -ATOM 3628 CA ASP A 474 80.368 11.482 9.858 1.00 17.09 C -ATOM 3629 C ASP A 474 81.052 12.788 10.279 1.00 16.36 C -ATOM 3630 O ASP A 474 81.430 13.618 9.450 1.00 16.74 O -ATOM 3631 CB ASP A 474 80.805 11.035 8.457 1.00 16.05 C -ATOM 3632 CG ASP A 474 82.303 10.921 8.323 1.00 17.61 C -ATOM 3633 OD1 ASP A 474 83.002 10.922 9.371 1.00 18.99 O -ATOM 3634 OD2 ASP A 474 82.786 10.836 7.169 1.00 16.99 O -ATOM 3635 N LEU A 475 81.193 12.966 11.581 1.00 14.54 N -ATOM 3636 CA LEU A 475 81.805 14.161 12.106 1.00 13.57 C -ATOM 3637 C LEU A 475 83.090 13.792 12.831 1.00 12.54 C -ATOM 3638 O LEU A 475 83.276 12.642 13.220 1.00 12.85 O -ATOM 3639 CB LEU A 475 80.842 14.821 13.095 1.00 15.35 C -ATOM 3640 CG LEU A 475 79.399 15.035 12.630 1.00 17.15 C -ATOM 3641 CD1 LEU A 475 78.565 15.617 13.759 1.00 14.87 C -ATOM 3642 CD2 LEU A 475 79.354 15.912 11.370 1.00 16.84 C -ATOM 3643 N LYS A 476 83.987 14.760 12.977 1.00 10.91 N -ATOM 3644 CA LYS A 476 85.232 14.547 13.713 1.00 10.07 C -ATOM 3645 C LYS A 476 85.241 15.416 14.987 1.00 10.62 C -ATOM 3646 O LYS A 476 84.440 16.359 15.134 1.00 10.96 O -ATOM 3647 CB LYS A 476 86.429 14.874 12.835 1.00 6.15 C -ATOM 3648 CG LYS A 476 86.674 13.833 11.775 1.00 4.07 C -ATOM 3649 CD LYS A 476 86.958 14.448 10.428 1.00 2.00 C -ATOM 3650 CE LYS A 476 87.701 13.487 9.525 1.00 2.00 C -ATOM 3651 NZ LYS A 476 87.141 12.093 9.558 1.00 5.55 N -ATOM 3652 N THR A 477 86.046 15.051 15.969 1.00 9.51 N -ATOM 3653 CA THR A 477 86.081 15.895 17.146 1.00 9.85 C -ATOM 3654 C THR A 477 86.950 17.016 16.636 1.00 12.44 C -ATOM 3655 O THR A 477 87.729 16.790 15.698 1.00 15.20 O -ATOM 3656 CB THR A 477 86.744 15.210 18.309 1.00 6.79 C -ATOM 3657 OG1 THR A 477 87.938 14.582 17.851 1.00 8.31 O -ATOM 3658 CG2 THR A 477 85.835 14.177 18.874 1.00 4.60 C -ATOM 3659 N ASP A 478 86.789 18.226 17.169 1.00 12.92 N -ATOM 3660 CA ASP A 478 87.603 19.349 16.712 1.00 10.88 C -ATOM 3661 C ASP A 478 89.075 19.001 16.680 1.00 11.44 C -ATOM 3662 O ASP A 478 89.756 19.308 15.698 1.00 12.64 O -ATOM 3663 CB ASP A 478 87.361 20.593 17.551 1.00 10.89 C -ATOM 3664 CG ASP A 478 86.054 21.274 17.201 1.00 10.30 C -ATOM 3665 OD1 ASP A 478 85.957 21.982 16.182 1.00 9.35 O -ATOM 3666 OD2 ASP A 478 85.095 21.074 17.938 1.00 12.13 O -ATOM 3667 N TRP A 479 89.571 18.294 17.689 1.00 10.39 N -ATOM 3668 CA TRP A 479 90.979 17.950 17.640 1.00 10.69 C -ATOM 3669 C TRP A 479 91.356 16.948 16.547 1.00 10.59 C -ATOM 3670 O TRP A 479 92.482 16.960 16.070 1.00 11.34 O -ATOM 3671 CB TRP A 479 91.522 17.550 19.006 1.00 10.52 C -ATOM 3672 CG TRP A 479 90.795 16.484 19.678 1.00 11.63 C -ATOM 3673 CD1 TRP A 479 89.897 16.630 20.693 1.00 12.97 C -ATOM 3674 CD2 TRP A 479 90.924 15.075 19.447 1.00 12.63 C -ATOM 3675 NE1 TRP A 479 89.458 15.394 21.117 1.00 14.98 N -ATOM 3676 CE2 TRP A 479 90.069 14.421 20.364 1.00 14.46 C -ATOM 3677 CE3 TRP A 479 91.673 14.301 18.554 1.00 12.69 C -ATOM 3678 CZ2 TRP A 479 89.937 13.027 20.406 1.00 12.55 C -ATOM 3679 CZ3 TRP A 479 91.537 12.917 18.598 1.00 14.04 C -ATOM 3680 CH2 TRP A 479 90.672 12.298 19.518 1.00 13.84 C -ATOM 3681 N GLN A 480 90.429 16.096 16.128 1.00 10.97 N -ATOM 3682 CA GLN A 480 90.730 15.144 15.057 1.00 11.29 C -ATOM 3683 C GLN A 480 90.847 15.861 13.724 1.00 11.04 C -ATOM 3684 O GLN A 480 91.677 15.505 12.896 1.00 13.74 O -ATOM 3685 CB GLN A 480 89.662 14.063 14.953 1.00 12.59 C -ATOM 3686 CG GLN A 480 89.934 12.895 15.863 1.00 15.48 C -ATOM 3687 CD GLN A 480 88.718 12.059 16.135 1.00 16.33 C -ATOM 3688 OE1 GLN A 480 87.590 12.537 16.047 1.00 18.80 O -ATOM 3689 NE2 GLN A 480 88.934 10.807 16.487 1.00 18.89 N -ATOM 3690 N ILE A 481 90.053 16.898 13.522 1.00 9.54 N -ATOM 3691 CA ILE A 481 90.122 17.621 12.270 1.00 9.27 C -ATOM 3692 C ILE A 481 91.446 18.348 12.181 1.00 9.88 C -ATOM 3693 O ILE A 481 92.189 18.135 11.250 1.00 12.20 O -ATOM 3694 CB ILE A 481 88.982 18.617 12.121 1.00 9.49 C -ATOM 3695 CG1 ILE A 481 87.626 17.907 12.289 1.00 7.35 C -ATOM 3696 CG2 ILE A 481 89.100 19.281 10.770 1.00 10.60 C -ATOM 3697 CD1 ILE A 481 86.426 18.762 12.030 1.00 3.24 C -ATOM 3698 N ILE A 482 91.762 19.172 13.175 1.00 10.65 N -ATOM 3699 CA ILE A 482 93.033 19.911 13.218 1.00 10.56 C -ATOM 3700 C ILE A 482 94.215 18.947 13.131 1.00 11.38 C -ATOM 3701 O ILE A 482 95.217 19.258 12.493 1.00 12.13 O -ATOM 3702 CB ILE A 482 93.199 20.706 14.537 1.00 10.07 C -ATOM 3703 CG1 ILE A 482 92.141 21.815 14.638 1.00 11.35 C -ATOM 3704 CG2 ILE A 482 94.578 21.305 14.607 1.00 9.64 C -ATOM 3705 CD1 ILE A 482 91.799 22.241 16.089 1.00 11.06 C -ATOM 3706 N SER A 483 94.130 17.797 13.797 1.00 12.16 N -ATOM 3707 CA SER A 483 95.221 16.830 13.739 1.00 13.32 C -ATOM 3708 C SER A 483 95.454 16.354 12.300 1.00 13.51 C -ATOM 3709 O SER A 483 96.594 16.282 11.828 1.00 13.47 O -ATOM 3710 CB SER A 483 94.954 15.632 14.659 1.00 14.20 C -ATOM 3711 OG SER A 483 95.109 15.954 16.032 1.00 15.27 O -ATOM 3712 N GLU A 484 94.373 16.113 11.571 1.00 13.23 N -ATOM 3713 CA GLU A 484 94.510 15.635 10.206 1.00 13.48 C -ATOM 3714 C GLU A 484 95.081 16.668 9.244 1.00 11.78 C -ATOM 3715 O GLU A 484 95.792 16.324 8.310 1.00 11.06 O -ATOM 3716 CB GLU A 484 93.182 15.104 9.701 1.00 15.05 C -ATOM 3717 CG GLU A 484 93.312 14.307 8.421 1.00 18.88 C -ATOM 3718 CD GLU A 484 92.091 13.450 8.153 1.00 20.97 C -ATOM 3719 OE1 GLU A 484 91.416 13.062 9.138 1.00 23.05 O -ATOM 3720 OE2 GLU A 484 91.813 13.161 6.966 1.00 22.07 O -ATOM 3721 N ILE A 485 94.751 17.932 9.459 1.00 11.94 N -ATOM 3722 CA ILE A 485 95.260 19.015 8.613 1.00 11.44 C -ATOM 3723 C ILE A 485 96.753 19.227 8.895 1.00 11.10 C -ATOM 3724 O ILE A 485 97.545 19.420 7.965 1.00 10.59 O -ATOM 3725 CB ILE A 485 94.488 20.316 8.831 1.00 9.38 C -ATOM 3726 CG1 ILE A 485 92.997 20.085 8.569 1.00 11.38 C -ATOM 3727 CG2 ILE A 485 94.971 21.332 7.875 1.00 9.57 C -ATOM 3728 CD1 ILE A 485 92.115 21.340 8.689 1.00 11.28 C -ATOM 3729 N ALA A 486 97.120 19.126 10.174 1.00 10.44 N -ATOM 3730 CA ALA A 486 98.493 19.247 10.625 1.00 10.11 C -ATOM 3731 C ALA A 486 99.281 18.170 9.889 1.00 11.09 C -ATOM 3732 O ALA A 486 100.274 18.449 9.207 1.00 13.00 O -ATOM 3733 CB ALA A 486 98.558 19.004 12.109 1.00 9.86 C -ATOM 3734 N THR A 487 98.798 16.939 9.978 1.00 10.98 N -ATOM 3735 CA THR A 487 99.435 15.825 9.306 1.00 10.29 C -ATOM 3736 C THR A 487 99.541 16.071 7.802 1.00 10.65 C -ATOM 3737 O THR A 487 100.594 15.868 7.214 1.00 12.01 O -ATOM 3738 CB THR A 487 98.657 14.517 9.546 1.00 10.13 C -ATOM 3739 OG1 THR A 487 98.457 14.321 10.956 1.00 10.69 O -ATOM 3740 CG2 THR A 487 99.436 13.331 8.982 1.00 10.10 C -ATOM 3741 N ARG A 488 98.463 16.529 7.173 1.00 11.54 N -ATOM 3742 CA ARG A 488 98.491 16.769 5.733 1.00 13.01 C -ATOM 3743 C ARG A 488 99.466 17.872 5.344 1.00 14.43 C -ATOM 3744 O ARG A 488 99.950 17.942 4.203 1.00 15.25 O -ATOM 3745 CB ARG A 488 97.090 17.041 5.200 1.00 11.21 C -ATOM 3746 CG ARG A 488 96.196 15.818 5.316 1.00 11.54 C -ATOM 3747 CD ARG A 488 94.815 16.089 4.779 1.00 12.15 C -ATOM 3748 NE ARG A 488 93.970 14.913 4.874 1.00 11.42 N -ATOM 3749 CZ ARG A 488 93.434 14.303 3.825 1.00 12.18 C -ATOM 3750 NH1 ARG A 488 93.646 14.747 2.591 1.00 9.83 N -ATOM 3751 NH2 ARG A 488 92.679 13.240 4.016 1.00 13.82 N -ATOM 3752 N MET A 489 99.786 18.706 6.322 1.00 14.64 N -ATOM 3753 CA MET A 489 100.716 19.783 6.121 1.00 13.02 C -ATOM 3754 C MET A 489 102.121 19.333 6.472 1.00 12.30 C -ATOM 3755 O MET A 489 103.004 20.153 6.626 1.00 13.73 O -ATOM 3756 CB MET A 489 100.301 20.968 6.968 1.00 15.69 C -ATOM 3757 CG MET A 489 98.977 21.612 6.523 1.00 17.43 C -ATOM 3758 SD MET A 489 98.891 23.314 7.088 1.00 18.39 S -ATOM 3759 CE MET A 489 97.442 23.260 8.017 1.00 17.31 C -ATOM 3760 N GLY A 490 102.320 18.032 6.642 1.00 11.30 N -ATOM 3761 CA GLY A 490 103.635 17.524 6.940 1.00 10.34 C -ATOM 3762 C GLY A 490 104.008 17.303 8.384 1.00 12.57 C -ATOM 3763 O GLY A 490 105.006 16.625 8.653 1.00 13.92 O -ATOM 3764 N TYR A 491 103.265 17.873 9.329 1.00 13.66 N -ATOM 3765 CA TYR A 491 103.597 17.681 10.750 1.00 13.53 C -ATOM 3766 C TYR A 491 102.717 16.547 11.279 1.00 15.18 C -ATOM 3767 O TYR A 491 101.498 16.678 11.370 1.00 16.62 O -ATOM 3768 CB TYR A 491 103.365 18.974 11.528 1.00 10.60 C -ATOM 3769 CG TYR A 491 103.695 18.865 13.000 1.00 10.96 C -ATOM 3770 CD1 TYR A 491 102.777 18.327 13.907 1.00 10.43 C -ATOM 3771 CD2 TYR A 491 104.926 19.283 13.491 1.00 10.76 C -ATOM 3772 CE1 TYR A 491 103.073 18.204 15.232 1.00 8.66 C -ATOM 3773 CE2 TYR A 491 105.234 19.160 14.839 1.00 10.10 C -ATOM 3774 CZ TYR A 491 104.301 18.614 15.694 1.00 9.22 C -ATOM 3775 OH TYR A 491 104.618 18.427 17.009 1.00 11.64 O -ATOM 3776 N PRO A 492 103.318 15.414 11.634 1.00 16.32 N -ATOM 3777 CA PRO A 492 102.524 14.281 12.137 1.00 17.12 C -ATOM 3778 C PRO A 492 101.766 14.520 13.433 1.00 16.71 C -ATOM 3779 O PRO A 492 102.366 14.910 14.421 1.00 18.58 O -ATOM 3780 CB PRO A 492 103.573 13.185 12.308 1.00 17.33 C -ATOM 3781 CG PRO A 492 104.815 13.971 12.644 1.00 16.42 C -ATOM 3782 CD PRO A 492 104.758 15.108 11.652 1.00 16.16 C -ATOM 3783 N MET A 493 100.462 14.252 13.440 1.00 16.29 N -ATOM 3784 CA MET A 493 99.657 14.419 14.648 1.00 16.68 C -ATOM 3785 C MET A 493 98.380 13.587 14.618 1.00 15.84 C -ATOM 3786 O MET A 493 97.627 13.617 13.652 1.00 16.58 O -ATOM 3787 CB MET A 493 99.309 15.900 14.864 1.00 19.74 C -ATOM 3788 CG MET A 493 98.619 16.270 16.202 1.00 20.98 C -ATOM 3789 SD MET A 493 98.754 18.105 16.584 1.00 24.84 S -ATOM 3790 CE MET A 493 97.544 18.811 15.493 1.00 21.96 C -ATOM 3791 N HIS A 494 98.182 12.788 15.655 1.00 13.73 N -ATOM 3792 CA HIS A 494 96.982 11.983 15.787 1.00 13.47 C -ATOM 3793 C HIS A 494 96.855 11.556 17.260 1.00 12.83 C -ATOM 3794 O HIS A 494 97.821 11.130 17.877 1.00 14.57 O -ATOM 3795 CB HIS A 494 97.006 10.779 14.849 1.00 14.26 C -ATOM 3796 CG HIS A 494 97.211 9.472 15.548 1.00 17.29 C -ATOM 3797 ND1 HIS A 494 98.463 8.978 15.855 1.00 16.01 N -ATOM 3798 CD2 HIS A 494 96.319 8.571 16.025 1.00 17.43 C -ATOM 3799 CE1 HIS A 494 98.331 7.827 16.491 1.00 18.51 C -ATOM 3800 NE2 HIS A 494 97.040 7.558 16.608 1.00 19.52 N -ATOM 3801 N TYR A 495 95.676 11.728 17.834 1.00 11.62 N -ATOM 3802 CA TYR A 495 95.432 11.378 19.215 1.00 9.77 C -ATOM 3803 C TYR A 495 94.314 10.355 19.268 1.00 10.36 C -ATOM 3804 O TYR A 495 93.265 10.476 18.612 1.00 10.33 O -ATOM 3805 CB TYR A 495 95.050 12.623 20.003 1.00 10.09 C -ATOM 3806 CG TYR A 495 96.161 13.655 20.116 1.00 9.80 C -ATOM 3807 CD1 TYR A 495 97.158 13.504 21.077 1.00 10.75 C -ATOM 3808 CD2 TYR A 495 96.225 14.769 19.270 1.00 6.22 C -ATOM 3809 CE1 TYR A 495 98.188 14.422 21.198 1.00 9.25 C -ATOM 3810 CE2 TYR A 495 97.268 15.689 19.385 1.00 6.39 C -ATOM 3811 CZ TYR A 495 98.247 15.499 20.355 1.00 6.91 C -ATOM 3812 OH TYR A 495 99.344 16.314 20.495 1.00 7.37 O -ATOM 3813 N ASN A 496 94.602 9.279 19.967 1.00 9.54 N -ATOM 3814 CA ASN A 496 93.653 8.204 20.118 1.00 9.63 C -ATOM 3815 C ASN A 496 92.464 8.649 20.950 1.00 10.59 C -ATOM 3816 O ASN A 496 91.365 8.129 20.798 1.00 11.68 O -ATOM 3817 CB ASN A 496 94.355 6.977 20.702 1.00 7.09 C -ATOM 3818 CG ASN A 496 95.526 6.532 19.838 1.00 7.45 C -ATOM 3819 OD1 ASN A 496 95.427 6.450 18.599 1.00 7.19 O -ATOM 3820 ND2 ASN A 496 96.663 6.334 20.466 1.00 5.59 N -ATOM 3821 N ASN A 497 92.666 9.651 21.793 1.00 12.00 N -ATOM 3822 CA ASN A 497 91.593 10.162 22.626 1.00 12.87 C -ATOM 3823 C ASN A 497 92.012 11.424 23.357 1.00 13.97 C -ATOM 3824 O ASN A 497 93.172 11.840 23.275 1.00 16.18 O -ATOM 3825 CB ASN A 497 91.085 9.079 23.567 1.00 13.04 C -ATOM 3826 CG ASN A 497 92.191 8.281 24.192 1.00 15.88 C -ATOM 3827 OD1 ASN A 497 93.039 7.697 23.511 1.00 18.21 O -ATOM 3828 ND2 ASN A 497 92.191 8.237 25.504 1.00 19.97 N -ATOM 3829 N THR A 498 91.086 12.049 24.068 1.00 14.48 N -ATOM 3830 CA THR A 498 91.407 13.295 24.750 1.00 15.27 C -ATOM 3831 C THR A 498 92.410 13.240 25.904 1.00 16.33 C -ATOM 3832 O THR A 498 93.225 14.154 26.050 1.00 18.47 O -ATOM 3833 CB THR A 498 90.142 14.061 25.176 1.00 14.96 C -ATOM 3834 OG1 THR A 498 89.467 13.353 26.216 1.00 13.98 O -ATOM 3835 CG2 THR A 498 89.209 14.248 23.977 1.00 14.08 C -ATOM 3836 N GLN A 499 92.384 12.182 26.716 1.00 15.96 N -ATOM 3837 CA GLN A 499 93.333 12.088 27.832 1.00 12.63 C -ATOM 3838 C GLN A 499 94.790 12.093 27.363 1.00 11.32 C -ATOM 3839 O GLN A 499 95.694 12.523 28.086 1.00 11.53 O -ATOM 3840 CB GLN A 499 93.076 10.841 28.662 1.00 11.62 C -ATOM 3841 CG GLN A 499 93.899 10.869 29.906 1.00 12.53 C -ATOM 3842 CD GLN A 499 93.882 9.587 30.688 1.00 13.06 C -ATOM 3843 OE1 GLN A 499 92.968 8.772 30.573 1.00 12.75 O -ATOM 3844 NE2 GLN A 499 94.892 9.414 31.522 1.00 11.99 N -ATOM 3845 N GLU A 500 95.010 11.575 26.163 1.00 9.88 N -ATOM 3846 CA GLU A 500 96.329 11.525 25.578 1.00 9.61 C -ATOM 3847 C GLU A 500 96.812 12.954 25.454 1.00 10.62 C -ATOM 3848 O GLU A 500 97.972 13.261 25.723 1.00 11.81 O -ATOM 3849 CB GLU A 500 96.260 10.866 24.206 1.00 9.14 C -ATOM 3850 CG GLU A 500 96.962 9.529 24.173 1.00 11.97 C -ATOM 3851 CD GLU A 500 96.499 8.613 23.044 1.00 14.21 C -ATOM 3852 OE1 GLU A 500 96.144 9.137 21.980 1.00 13.34 O -ATOM 3853 OE2 GLU A 500 96.484 7.365 23.233 1.00 17.53 O -ATOM 3854 N ILE A 501 95.895 13.842 25.080 1.00 11.32 N -ATOM 3855 CA ILE A 501 96.216 15.254 24.935 1.00 7.76 C -ATOM 3856 C ILE A 501 96.388 15.808 26.319 1.00 5.78 C -ATOM 3857 O ILE A 501 97.363 16.466 26.599 1.00 5.60 O -ATOM 3858 CB ILE A 501 95.099 16.016 24.259 1.00 8.09 C -ATOM 3859 CG1 ILE A 501 94.745 15.368 22.915 1.00 7.98 C -ATOM 3860 CG2 ILE A 501 95.534 17.451 24.035 1.00 11.03 C -ATOM 3861 CD1 ILE A 501 93.554 15.996 22.232 1.00 6.74 C -ATOM 3862 N TRP A 502 95.492 15.458 27.222 1.00 5.54 N -ATOM 3863 CA TRP A 502 95.605 15.965 28.577 1.00 8.20 C -ATOM 3864 C TRP A 502 96.911 15.599 29.289 1.00 11.12 C -ATOM 3865 O TRP A 502 97.395 16.368 30.120 1.00 12.86 O -ATOM 3866 CB TRP A 502 94.397 15.564 29.415 1.00 6.03 C -ATOM 3867 CG TRP A 502 94.328 16.269 30.748 1.00 3.75 C -ATOM 3868 CD1 TRP A 502 94.624 15.739 31.970 1.00 3.09 C -ATOM 3869 CD2 TRP A 502 93.931 17.623 30.984 1.00 2.00 C -ATOM 3870 NE1 TRP A 502 94.432 16.676 32.946 1.00 2.41 N -ATOM 3871 CE2 TRP A 502 94.012 17.842 32.370 1.00 2.00 C -ATOM 3872 CE3 TRP A 502 93.525 18.670 30.155 1.00 2.00 C -ATOM 3873 CZ2 TRP A 502 93.710 19.074 32.952 1.00 2.00 C -ATOM 3874 CZ3 TRP A 502 93.222 19.898 30.728 1.00 2.96 C -ATOM 3875 CH2 TRP A 502 93.318 20.087 32.120 1.00 4.03 C -ATOM 3876 N ASP A 503 97.525 14.476 28.934 1.00 14.06 N -ATOM 3877 CA ASP A 503 98.775 14.083 29.590 1.00 16.16 C -ATOM 3878 C ASP A 503 100.015 14.777 29.028 1.00 15.78 C -ATOM 3879 O ASP A 503 100.968 15.070 29.756 1.00 14.98 O -ATOM 3880 CB ASP A 503 98.936 12.560 29.574 1.00 18.51 C -ATOM 3881 CG ASP A 503 97.821 11.848 30.337 1.00 19.74 C -ATOM 3882 OD1 ASP A 503 97.354 12.396 31.353 1.00 19.72 O -ATOM 3883 OD2 ASP A 503 97.423 10.734 29.927 1.00 22.34 O -ATOM 3884 N GLU A 504 100.002 15.028 27.729 1.00 15.86 N -ATOM 3885 CA GLU A 504 101.106 15.709 27.047 1.00 16.34 C -ATOM 3886 C GLU A 504 101.133 17.086 27.685 1.00 17.94 C -ATOM 3887 O GLU A 504 102.160 17.577 28.148 1.00 20.81 O -ATOM 3888 CB GLU A 504 100.735 15.838 25.577 1.00 13.34 C -ATOM 3889 CG GLU A 504 101.800 16.277 24.657 1.00 12.15 C -ATOM 3890 CD GLU A 504 101.292 16.235 23.228 1.00 13.49 C -ATOM 3891 OE1 GLU A 504 100.769 15.166 22.842 1.00 15.76 O -ATOM 3892 OE2 GLU A 504 101.375 17.252 22.503 1.00 10.76 O -ATOM 3893 N LEU A 505 99.934 17.642 27.744 1.00 17.86 N -ATOM 3894 CA LEU A 505 99.597 18.926 28.304 1.00 16.33 C -ATOM 3895 C LEU A 505 100.125 18.933 29.733 1.00 16.79 C -ATOM 3896 O LEU A 505 100.996 19.731 30.082 1.00 17.92 O -ATOM 3897 CB LEU A 505 98.059 18.989 28.280 1.00 16.76 C -ATOM 3898 CG LEU A 505 97.084 20.052 28.759 1.00 15.56 C -ATOM 3899 CD1 LEU A 505 97.238 20.308 30.266 1.00 15.78 C -ATOM 3900 CD2 LEU A 505 97.278 21.290 27.939 1.00 16.34 C -ATOM 3901 N ARG A 506 99.646 18.002 30.551 1.00 15.52 N -ATOM 3902 CA ARG A 506 100.071 17.950 31.949 1.00 14.21 C -ATOM 3903 C ARG A 506 101.580 17.944 32.138 1.00 13.79 C -ATOM 3904 O ARG A 506 102.071 18.423 33.158 1.00 14.73 O -ATOM 3905 CB ARG A 506 99.477 16.735 32.665 1.00 12.84 C -ATOM 3906 CG ARG A 506 98.069 16.944 33.185 1.00 12.39 C -ATOM 3907 CD ARG A 506 97.735 15.899 34.232 1.00 11.29 C -ATOM 3908 NE ARG A 506 98.015 14.577 33.708 1.00 10.58 N -ATOM 3909 CZ ARG A 506 98.974 13.766 34.137 1.00 9.18 C -ATOM 3910 NH1 ARG A 506 99.770 14.101 35.149 1.00 7.07 N -ATOM 3911 NH2 ARG A 506 99.242 12.684 33.419 1.00 8.12 N -ATOM 3912 N HIS A 507 102.301 17.370 31.169 1.00 12.49 N -ATOM 3913 CA HIS A 507 103.756 17.264 31.211 1.00 9.71 C -ATOM 3914 C HIS A 507 104.500 18.531 30.749 1.00 10.82 C -ATOM 3915 O HIS A 507 105.725 18.630 30.905 1.00 10.12 O -ATOM 3916 CB HIS A 507 104.207 16.037 30.414 1.00 8.51 C -ATOM 3917 CG HIS A 507 104.069 14.758 31.170 1.00 8.40 C -ATOM 3918 ND1 HIS A 507 103.001 13.903 31.000 1.00 10.07 N -ATOM 3919 CD2 HIS A 507 104.803 14.231 32.178 1.00 8.56 C -ATOM 3920 CE1 HIS A 507 103.077 12.919 31.872 1.00 7.18 C -ATOM 3921 NE2 HIS A 507 104.163 13.094 32.602 1.00 5.67 N -ATOM 3922 N LEU A 508 103.748 19.494 30.212 1.00 10.60 N -ATOM 3923 CA LEU A 508 104.273 20.775 29.744 1.00 10.47 C -ATOM 3924 C LEU A 508 103.796 21.907 30.653 1.00 11.43 C -ATOM 3925 O LEU A 508 104.373 22.984 30.664 1.00 13.67 O -ATOM 3926 CB LEU A 508 103.804 21.054 28.315 1.00 11.24 C -ATOM 3927 CG LEU A 508 104.216 19.998 27.293 1.00 12.46 C -ATOM 3928 CD1 LEU A 508 103.616 20.305 25.944 1.00 11.76 C -ATOM 3929 CD2 LEU A 508 105.736 19.971 27.215 1.00 15.36 C -ATOM 3930 N CYS A 509 102.740 21.678 31.418 1.00 10.84 N -ATOM 3931 CA CYS A 509 102.239 22.706 32.314 1.00 10.58 C -ATOM 3932 C CYS A 509 102.374 22.293 33.776 1.00 12.31 C -ATOM 3933 O CYS A 509 101.485 21.650 34.344 1.00 13.99 O -ATOM 3934 CB CYS A 509 100.807 22.954 31.955 1.00 9.34 C -ATOM 3935 SG CYS A 509 100.712 23.188 30.203 1.00 13.53 S -ATOM 3936 N PRO A 510 103.504 22.631 34.415 1.00 13.57 N -ATOM 3937 CA PRO A 510 103.748 22.277 35.824 1.00 14.65 C -ATOM 3938 C PRO A 510 102.662 22.571 36.849 1.00 15.00 C -ATOM 3939 O PRO A 510 102.731 22.069 37.956 1.00 16.31 O -ATOM 3940 CB PRO A 510 105.055 22.999 36.136 1.00 12.06 C -ATOM 3941 CG PRO A 510 105.792 22.802 34.881 1.00 13.64 C -ATOM 3942 CD PRO A 510 104.744 23.134 33.800 1.00 13.42 C -ATOM 3943 N ASP A 511 101.676 23.377 36.477 1.00 16.25 N -ATOM 3944 CA ASP A 511 100.565 23.737 37.358 1.00 17.76 C -ATOM 3945 C ASP A 511 99.303 22.909 37.135 1.00 17.10 C -ATOM 3946 O ASP A 511 98.314 23.096 37.845 1.00 17.17 O -ATOM 3947 CB ASP A 511 100.183 25.198 37.128 1.00 20.79 C -ATOM 3948 CG ASP A 511 100.773 26.150 38.153 1.00 24.22 C -ATOM 3949 OD1 ASP A 511 101.527 25.744 39.080 1.00 25.84 O -ATOM 3950 OD2 ASP A 511 100.445 27.345 38.017 1.00 27.38 O -ATOM 3951 N PHE A 512 99.301 22.092 36.086 1.00 15.81 N -ATOM 3952 CA PHE A 512 98.158 21.259 35.736 1.00 14.24 C -ATOM 3953 C PHE A 512 98.527 19.801 35.880 1.00 15.32 C -ATOM 3954 O PHE A 512 97.669 18.922 35.777 1.00 15.35 O -ATOM 3955 CB PHE A 512 97.747 21.484 34.286 1.00 11.35 C -ATOM 3956 CG PHE A 512 97.399 22.910 33.956 1.00 11.81 C -ATOM 3957 CD1 PHE A 512 97.228 23.864 34.955 1.00 8.77 C -ATOM 3958 CD2 PHE A 512 97.264 23.306 32.624 1.00 10.94 C -ATOM 3959 CE1 PHE A 512 96.930 25.177 34.630 1.00 8.38 C -ATOM 3960 CE2 PHE A 512 96.968 24.615 32.304 1.00 9.89 C -ATOM 3961 CZ PHE A 512 96.805 25.554 33.312 1.00 8.82 C -ATOM 3962 N TYR A 513 99.811 19.546 36.119 1.00 15.99 N -ATOM 3963 CA TYR A 513 100.321 18.183 36.255 1.00 14.66 C -ATOM 3964 C TYR A 513 99.544 17.288 37.214 1.00 15.18 C -ATOM 3965 O TYR A 513 99.169 16.173 36.860 1.00 15.74 O -ATOM 3966 CB TYR A 513 101.779 18.233 36.648 1.00 13.18 C -ATOM 3967 CG TYR A 513 102.434 16.894 36.695 1.00 12.10 C -ATOM 3968 CD1 TYR A 513 102.697 16.182 35.535 1.00 9.16 C -ATOM 3969 CD2 TYR A 513 102.783 16.326 37.919 1.00 11.89 C -ATOM 3970 CE1 TYR A 513 103.281 14.938 35.604 1.00 9.79 C -ATOM 3971 CE2 TYR A 513 103.366 15.102 37.992 1.00 8.95 C -ATOM 3972 CZ TYR A 513 103.612 14.403 36.846 1.00 9.18 C -ATOM 3973 OH TYR A 513 104.170 13.147 36.968 1.00 10.57 O -ATOM 3974 N GLY A 514 99.262 17.786 38.411 1.00 15.88 N -ATOM 3975 CA GLY A 514 98.527 16.987 39.375 1.00 16.02 C -ATOM 3976 C GLY A 514 97.046 16.810 39.094 1.00 16.54 C -ATOM 3977 O GLY A 514 96.382 16.012 39.752 1.00 17.25 O -ATOM 3978 N ALA A 515 96.505 17.554 38.137 1.00 16.56 N -ATOM 3979 CA ALA A 515 95.090 17.423 37.826 1.00 15.26 C -ATOM 3980 C ALA A 515 94.917 16.273 36.869 1.00 16.07 C -ATOM 3981 O ALA A 515 94.623 16.481 35.689 1.00 16.92 O -ATOM 3982 CB ALA A 515 94.568 18.689 37.206 1.00 15.44 C -ATOM 3983 N THR A 516 95.144 15.057 37.346 1.00 15.48 N -ATOM 3984 CA THR A 516 94.985 13.906 36.471 1.00 16.44 C -ATOM 3985 C THR A 516 93.504 13.605 36.219 1.00 17.24 C -ATOM 3986 O THR A 516 92.623 14.068 36.963 1.00 18.90 O -ATOM 3987 CB THR A 516 95.709 12.650 37.017 1.00 15.67 C -ATOM 3988 OG1 THR A 516 95.297 12.382 38.362 1.00 16.43 O -ATOM 3989 CG2 THR A 516 97.201 12.849 36.982 1.00 15.57 C -ATOM 3990 N TYR A 517 93.236 12.890 35.126 1.00 17.02 N -ATOM 3991 CA TYR A 517 91.882 12.495 34.748 1.00 16.34 C -ATOM 3992 C TYR A 517 91.282 11.708 35.923 1.00 18.59 C -ATOM 3993 O TYR A 517 90.141 11.947 36.354 1.00 18.39 O -ATOM 3994 CB TYR A 517 91.947 11.584 33.523 1.00 15.22 C -ATOM 3995 CG TYR A 517 91.558 12.232 32.231 1.00 13.63 C -ATOM 3996 CD1 TYR A 517 91.910 13.555 31.955 1.00 13.59 C -ATOM 3997 CD2 TYR A 517 90.775 11.550 31.303 1.00 12.26 C -ATOM 3998 CE1 TYR A 517 91.482 14.189 30.786 1.00 13.96 C -ATOM 3999 CE2 TYR A 517 90.336 12.175 30.133 1.00 13.41 C -ATOM 4000 CZ TYR A 517 90.695 13.498 29.883 1.00 13.90 C -ATOM 4001 OH TYR A 517 90.272 14.116 28.731 1.00 14.01 O -ATOM 4002 N GLU A 518 92.087 10.798 36.467 1.00 18.96 N -ATOM 4003 CA GLU A 518 91.657 9.975 37.578 1.00 19.55 C -ATOM 4004 C GLU A 518 91.217 10.858 38.720 1.00 17.55 C -ATOM 4005 O GLU A 518 90.173 10.628 39.318 1.00 16.68 O -ATOM 4006 CB GLU A 518 92.793 9.074 38.042 1.00 23.49 C -ATOM 4007 CG GLU A 518 92.360 8.031 39.071 1.00 31.08 C -ATOM 4008 CD GLU A 518 93.415 6.947 39.302 1.00 34.47 C -ATOM 4009 OE1 GLU A 518 93.857 6.322 38.303 1.00 35.85 O -ATOM 4010 OE2 GLU A 518 93.801 6.731 40.482 1.00 36.66 O -ATOM 4011 N LYS A 519 91.991 11.908 38.975 1.00 16.09 N -ATOM 4012 CA LYS A 519 91.687 12.812 40.075 1.00 14.77 C -ATOM 4013 C LYS A 519 90.438 13.622 39.815 1.00 14.75 C -ATOM 4014 O LYS A 519 89.543 13.665 40.658 1.00 15.59 O -ATOM 4015 CB LYS A 519 92.883 13.724 40.405 1.00 13.08 C -ATOM 4016 CG LYS A 519 92.749 14.506 41.705 1.00 10.06 C -ATOM 4017 CD LYS A 519 93.924 15.444 41.922 1.00 10.62 C -ATOM 4018 CE LYS A 519 95.031 14.775 42.728 1.00 14.08 C -ATOM 4019 NZ LYS A 519 96.322 15.529 42.724 1.00 13.36 N -ATOM 4020 N MET A 520 90.347 14.258 38.658 1.00 13.17 N -ATOM 4021 CA MET A 520 89.153 15.040 38.404 1.00 13.61 C -ATOM 4022 C MET A 520 87.903 14.163 38.515 1.00 13.15 C -ATOM 4023 O MET A 520 86.856 14.634 38.932 1.00 13.56 O -ATOM 4024 CB MET A 520 89.224 15.718 37.039 1.00 13.91 C -ATOM 4025 CG MET A 520 90.382 16.671 36.860 1.00 14.04 C -ATOM 4026 SD MET A 520 90.390 17.358 35.192 1.00 16.26 S -ATOM 4027 CE MET A 520 90.804 15.895 34.215 1.00 15.62 C -ATOM 4028 N GLY A 521 88.037 12.890 38.149 1.00 13.79 N -ATOM 4029 CA GLY A 521 86.941 11.938 38.201 1.00 13.70 C -ATOM 4030 C GLY A 521 85.612 12.369 37.603 1.00 14.25 C -ATOM 4031 O GLY A 521 85.581 13.173 36.692 1.00 15.50 O -ATOM 4032 N GLU A 522 84.514 11.819 38.117 1.00 15.48 N -ATOM 4033 CA GLU A 522 83.181 12.155 37.643 1.00 16.68 C -ATOM 4034 C GLU A 522 82.629 13.385 38.340 1.00 17.00 C -ATOM 4035 O GLU A 522 81.856 14.136 37.751 1.00 18.65 O -ATOM 4036 CB GLU A 522 82.216 11.009 37.878 1.00 18.51 C -ATOM 4037 CG GLU A 522 82.659 9.678 37.294 1.00 23.33 C -ATOM 4038 CD GLU A 522 81.482 8.766 36.998 1.00 24.49 C -ATOM 4039 OE1 GLU A 522 80.489 8.802 37.762 1.00 26.47 O -ATOM 4040 OE2 GLU A 522 81.538 8.045 35.986 1.00 25.78 O -ATOM 4041 N LEU A 523 82.966 13.584 39.607 1.00 15.17 N -ATOM 4042 CA LEU A 523 82.446 14.766 40.293 1.00 13.89 C -ATOM 4043 C LEU A 523 83.526 15.612 40.941 1.00 12.27 C -ATOM 4044 O LEU A 523 83.234 16.427 41.811 1.00 11.80 O -ATOM 4045 CB LEU A 523 81.429 14.363 41.345 1.00 13.55 C -ATOM 4046 CG LEU A 523 80.135 13.704 40.890 1.00 14.08 C -ATOM 4047 CD1 LEU A 523 79.465 13.123 42.127 1.00 14.84 C -ATOM 4048 CD2 LEU A 523 79.231 14.709 40.183 1.00 13.16 C -ATOM 4049 N GLY A 524 84.760 15.444 40.481 1.00 10.46 N -ATOM 4050 CA GLY A 524 85.860 16.174 41.049 1.00 9.77 C -ATOM 4051 C GLY A 524 85.925 17.544 40.453 1.00 10.28 C -ATOM 4052 O GLY A 524 85.581 17.702 39.299 1.00 9.83 O -ATOM 4053 N PHE A 525 86.398 18.503 41.252 1.00 10.25 N -ATOM 4054 CA PHE A 525 86.539 19.903 40.886 1.00 9.77 C -ATOM 4055 C PHE A 525 87.959 20.242 41.334 1.00 11.75 C -ATOM 4056 O PHE A 525 88.195 20.505 42.520 1.00 13.73 O -ATOM 4057 CB PHE A 525 85.545 20.724 41.701 1.00 7.13 C -ATOM 4058 CG PHE A 525 85.322 22.122 41.185 1.00 5.77 C -ATOM 4059 CD1 PHE A 525 84.367 22.368 40.209 1.00 2.41 C -ATOM 4060 CD2 PHE A 525 86.000 23.202 41.739 1.00 4.71 C -ATOM 4061 CE1 PHE A 525 84.088 23.655 39.803 1.00 2.88 C -ATOM 4062 CE2 PHE A 525 85.721 24.506 41.332 1.00 2.68 C -ATOM 4063 CZ PHE A 525 84.766 24.729 40.367 1.00 2.53 C -ATOM 4064 N ILE A 526 88.909 20.210 40.406 1.00 11.63 N -ATOM 4065 CA ILE A 526 90.297 20.477 40.759 1.00 11.82 C -ATOM 4066 C ILE A 526 90.797 21.806 40.229 1.00 13.75 C -ATOM 4067 O ILE A 526 91.254 21.893 39.093 1.00 15.14 O -ATOM 4068 CB ILE A 526 91.248 19.359 40.239 1.00 10.90 C -ATOM 4069 CG1 ILE A 526 90.747 17.961 40.649 1.00 8.25 C -ATOM 4070 CG2 ILE A 526 92.658 19.602 40.760 1.00 9.85 C -ATOM 4071 CD1 ILE A 526 90.872 17.628 42.136 1.00 4.74 C -ATOM 4072 N GLN A 527 90.729 22.844 41.054 1.00 15.56 N -ATOM 4073 CA GLN A 527 91.198 24.164 40.642 1.00 14.34 C -ATOM 4074 C GLN A 527 92.726 24.187 40.626 1.00 15.21 C -ATOM 4075 O GLN A 527 93.358 23.886 41.646 1.00 14.90 O -ATOM 4076 CB GLN A 527 90.766 25.225 41.649 1.00 12.67 C -ATOM 4077 CG GLN A 527 89.308 25.526 41.790 1.00 8.99 C -ATOM 4078 CD GLN A 527 89.035 26.094 43.165 1.00 9.11 C -ATOM 4079 OE1 GLN A 527 88.415 25.440 44.002 1.00 8.58 O -ATOM 4080 NE2 GLN A 527 89.559 27.283 43.434 1.00 7.88 N -ATOM 4081 N TRP A 528 93.310 24.574 39.498 1.00 14.48 N -ATOM 4082 CA TRP A 528 94.753 24.690 39.404 1.00 15.40 C -ATOM 4083 C TRP A 528 95.197 25.901 40.252 1.00 17.30 C -ATOM 4084 O TRP A 528 94.371 26.756 40.604 1.00 17.66 O -ATOM 4085 CB TRP A 528 95.191 24.855 37.939 1.00 15.00 C -ATOM 4086 CG TRP A 528 94.631 26.049 37.200 1.00 15.93 C -ATOM 4087 CD1 TRP A 528 93.607 26.048 36.281 1.00 16.17 C -ATOM 4088 CD2 TRP A 528 95.100 27.403 37.268 1.00 15.00 C -ATOM 4089 NE1 TRP A 528 93.422 27.316 35.776 1.00 14.39 N -ATOM 4090 CE2 TRP A 528 94.324 28.165 36.366 1.00 14.89 C -ATOM 4091 CE3 TRP A 528 96.104 28.048 38.003 1.00 14.39 C -ATOM 4092 CZ2 TRP A 528 94.522 29.538 36.182 1.00 14.48 C -ATOM 4093 CZ3 TRP A 528 96.298 29.420 37.815 1.00 14.04 C -ATOM 4094 CH2 TRP A 528 95.511 30.144 36.914 1.00 12.46 C -ATOM 4095 N PRO A 529 96.485 25.957 40.657 1.00 18.63 N -ATOM 4096 CA PRO A 529 97.554 24.985 40.388 1.00 17.54 C -ATOM 4097 C PRO A 529 97.325 23.677 41.129 1.00 17.00 C -ATOM 4098 O PRO A 529 96.783 23.649 42.236 1.00 16.83 O -ATOM 4099 CB PRO A 529 98.810 25.675 40.948 1.00 18.01 C -ATOM 4100 CG PRO A 529 98.442 27.149 41.006 1.00 18.94 C -ATOM 4101 CD PRO A 529 97.008 27.094 41.446 1.00 18.86 C -ATOM 4102 N CYS A 530 97.710 22.592 40.485 1.00 15.99 N -ATOM 4103 CA CYS A 530 97.630 21.272 41.065 1.00 16.26 C -ATOM 4104 C CYS A 530 98.882 20.704 40.442 1.00 17.38 C -ATOM 4105 O CYS A 530 98.935 20.432 39.234 1.00 17.73 O -ATOM 4106 CB CYS A 530 96.394 20.515 40.603 1.00 15.12 C -ATOM 4107 SG CYS A 530 96.239 18.926 41.421 1.00 14.37 S -ATOM 4108 N ARG A 531 99.923 20.647 41.255 1.00 17.70 N -ATOM 4109 CA ARG A 531 101.221 20.197 40.807 1.00 19.17 C -ATOM 4110 C ARG A 531 101.518 18.717 40.978 1.00 21.72 C -ATOM 4111 O ARG A 531 101.998 18.056 40.046 1.00 23.02 O -ATOM 4112 CB ARG A 531 102.293 21.053 41.476 1.00 16.72 C -ATOM 4113 CG ARG A 531 102.166 22.503 41.084 1.00 17.73 C -ATOM 4114 CD ARG A 531 103.185 23.394 41.736 1.00 18.45 C -ATOM 4115 NE ARG A 531 103.740 24.300 40.748 1.00 21.17 N -ATOM 4116 CZ ARG A 531 104.866 24.064 40.084 1.00 23.54 C -ATOM 4117 NH1 ARG A 531 105.550 22.948 40.325 1.00 24.32 N -ATOM 4118 NH2 ARG A 531 105.284 24.912 39.143 1.00 25.59 N -ATOM 4119 N ASP A 532 101.212 18.177 42.146 1.00 22.86 N -ATOM 4120 CA ASP A 532 101.500 16.780 42.379 1.00 25.73 C -ATOM 4121 C ASP A 532 100.335 15.874 42.061 1.00 25.47 C -ATOM 4122 O ASP A 532 99.210 16.156 42.435 1.00 23.94 O -ATOM 4123 CB ASP A 532 101.923 16.569 43.827 1.00 29.18 C -ATOM 4124 CG ASP A 532 102.996 17.548 44.274 1.00 32.28 C -ATOM 4125 OD1 ASP A 532 103.829 17.962 43.422 1.00 32.66 O -ATOM 4126 OD2 ASP A 532 102.997 17.898 45.486 1.00 34.17 O -ATOM 4127 N THR A 533 100.618 14.771 41.381 1.00 26.78 N -ATOM 4128 CA THR A 533 99.579 13.806 41.062 1.00 28.26 C -ATOM 4129 C THR A 533 99.018 13.210 42.363 1.00 28.67 C -ATOM 4130 O THR A 533 97.878 12.711 42.406 1.00 28.57 O -ATOM 4131 CB THR A 533 100.113 12.737 40.117 1.00 27.70 C -ATOM 4132 OG1 THR A 533 100.368 13.335 38.839 1.00 27.49 O -ATOM 4133 CG2 THR A 533 99.083 11.655 39.912 1.00 32.14 C -ATOM 4134 N SER A 534 99.826 13.302 43.422 1.00 29.18 N -ATOM 4135 CA SER A 534 99.465 12.848 44.764 1.00 29.57 C -ATOM 4136 C SER A 534 98.041 13.272 45.131 1.00 30.47 C -ATOM 4137 O SER A 534 97.707 14.459 45.101 1.00 30.96 O -ATOM 4138 CB SER A 534 100.433 13.469 45.777 1.00 29.36 C -ATOM 4139 OG SER A 534 99.877 13.498 47.088 1.00 29.66 O -ATOM 4140 N ASP A 535 97.220 12.320 45.552 1.00 31.63 N -ATOM 4141 CA ASP A 535 95.854 12.667 45.923 1.00 32.41 C -ATOM 4142 C ASP A 535 95.736 13.576 47.144 1.00 30.68 C -ATOM 4143 O ASP A 535 94.645 13.965 47.527 1.00 29.87 O -ATOM 4144 CB ASP A 535 94.949 11.429 46.021 1.00 33.95 C -ATOM 4145 CG ASP A 535 93.916 11.380 44.883 1.00 35.97 C -ATOM 4146 OD1 ASP A 535 93.123 12.340 44.755 1.00 35.90 O -ATOM 4147 OD2 ASP A 535 93.912 10.410 44.094 1.00 36.89 O -ATOM 4148 N ALA A 536 96.861 13.942 47.736 1.00 29.45 N -ATOM 4149 CA ALA A 536 96.840 14.850 48.869 1.00 29.44 C -ATOM 4150 C ALA A 536 96.767 16.257 48.311 1.00 29.47 C -ATOM 4151 O ALA A 536 96.458 17.203 49.026 1.00 31.17 O -ATOM 4152 CB ALA A 536 98.099 14.710 49.664 1.00 30.27 C -ATOM 4153 N ASP A 537 97.101 16.383 47.035 1.00 28.39 N -ATOM 4154 CA ASP A 537 97.113 17.654 46.334 1.00 27.39 C -ATOM 4155 C ASP A 537 95.763 17.804 45.621 1.00 27.24 C -ATOM 4156 O ASP A 537 95.624 17.509 44.428 1.00 27.92 O -ATOM 4157 CB ASP A 537 98.272 17.637 45.323 1.00 28.21 C -ATOM 4158 CG ASP A 537 98.567 18.997 44.719 1.00 27.57 C -ATOM 4159 OD1 ASP A 537 97.626 19.728 44.353 1.00 28.95 O -ATOM 4160 OD2 ASP A 537 99.765 19.321 44.582 1.00 28.94 O -ATOM 4161 N GLN A 538 94.764 18.285 46.343 1.00 25.04 N -ATOM 4162 CA GLN A 538 93.458 18.449 45.735 1.00 22.65 C -ATOM 4163 C GLN A 538 93.243 19.744 44.942 1.00 21.09 C -ATOM 4164 O GLN A 538 92.200 19.925 44.341 1.00 20.61 O -ATOM 4165 CB GLN A 538 92.368 18.231 46.784 1.00 22.04 C -ATOM 4166 CG GLN A 538 92.194 16.773 47.155 1.00 21.97 C -ATOM 4167 CD GLN A 538 92.044 15.877 45.922 1.00 24.51 C -ATOM 4168 OE1 GLN A 538 91.584 16.323 44.870 1.00 28.00 O -ATOM 4169 NE2 GLN A 538 92.458 14.624 46.040 1.00 22.57 N -ATOM 4170 N GLY A 539 94.240 20.621 44.903 1.00 19.93 N -ATOM 4171 CA GLY A 539 94.086 21.865 44.165 1.00 20.02 C -ATOM 4172 C GLY A 539 94.165 23.143 45.001 1.00 19.09 C -ATOM 4173 O GLY A 539 94.103 23.109 46.236 1.00 20.09 O -ATOM 4174 N THR A 540 94.207 24.285 44.327 1.00 17.24 N -ATOM 4175 CA THR A 540 94.342 25.565 44.998 1.00 16.59 C -ATOM 4176 C THR A 540 93.017 26.316 45.064 1.00 17.15 C -ATOM 4177 O THR A 540 92.432 26.659 44.038 1.00 17.47 O -ATOM 4178 CB THR A 540 95.428 26.374 44.278 1.00 17.10 C -ATOM 4179 OG1 THR A 540 96.670 25.667 44.364 1.00 18.79 O -ATOM 4180 CG2 THR A 540 95.610 27.723 44.878 1.00 19.58 C -ATOM 4181 N SER A 541 92.541 26.574 46.281 1.00 17.43 N -ATOM 4182 CA SER A 541 91.267 27.262 46.480 1.00 17.43 C -ATOM 4183 C SER A 541 91.303 28.770 46.335 1.00 18.63 C -ATOM 4184 O SER A 541 90.328 29.372 45.879 1.00 20.66 O -ATOM 4185 CB SER A 541 90.680 26.943 47.836 1.00 15.38 C -ATOM 4186 OG SER A 541 89.413 27.556 47.958 1.00 15.48 O -ATOM 4187 N TYR A 542 92.342 29.397 46.858 1.00 17.46 N -ATOM 4188 CA TYR A 542 92.451 30.836 46.737 1.00 17.99 C -ATOM 4189 C TYR A 542 93.917 31.119 46.470 1.00 19.49 C -ATOM 4190 O TYR A 542 94.794 30.287 46.780 1.00 20.69 O -ATOM 4191 CB TYR A 542 91.918 31.573 47.977 1.00 16.60 C -ATOM 4192 CG TYR A 542 92.720 31.419 49.257 1.00 17.14 C -ATOM 4193 CD1 TYR A 542 93.810 32.231 49.509 1.00 16.36 C -ATOM 4194 CD2 TYR A 542 92.383 30.469 50.217 1.00 18.21 C -ATOM 4195 CE1 TYR A 542 94.549 32.112 50.665 1.00 15.22 C -ATOM 4196 CE2 TYR A 542 93.125 30.340 51.384 1.00 17.49 C -ATOM 4197 CZ TYR A 542 94.213 31.172 51.592 1.00 17.18 C -ATOM 4198 OH TYR A 542 94.996 31.047 52.713 1.00 19.01 O -ATOM 4199 N LEU A 543 94.187 32.259 45.845 1.00 17.92 N -ATOM 4200 CA LEU A 543 95.542 32.604 45.503 1.00 15.81 C -ATOM 4201 C LEU A 543 96.157 33.628 46.428 1.00 15.56 C -ATOM 4202 O LEU A 543 95.533 34.124 47.365 1.00 13.22 O -ATOM 4203 CB LEU A 543 95.605 33.114 44.058 1.00 14.60 C -ATOM 4204 CG LEU A 543 95.051 32.205 42.950 1.00 13.25 C -ATOM 4205 CD1 LEU A 543 95.254 32.859 41.577 1.00 10.93 C -ATOM 4206 CD2 LEU A 543 95.714 30.827 42.999 1.00 10.03 C -ATOM 4207 N PHE A 544 97.435 33.868 46.182 1.00 16.37 N -ATOM 4208 CA PHE A 544 98.206 34.858 46.908 1.00 15.87 C -ATOM 4209 C PHE A 544 98.218 34.685 48.414 1.00 17.91 C -ATOM 4210 O PHE A 544 98.154 35.666 49.145 1.00 18.31 O -ATOM 4211 CB PHE A 544 97.716 36.262 46.536 1.00 12.58 C -ATOM 4212 CG PHE A 544 97.231 36.386 45.110 1.00 8.78 C -ATOM 4213 CD1 PHE A 544 98.009 35.950 44.053 1.00 8.58 C -ATOM 4214 CD2 PHE A 544 95.997 36.951 44.837 1.00 9.04 C -ATOM 4215 CE1 PHE A 544 97.573 36.066 42.754 1.00 7.35 C -ATOM 4216 CE2 PHE A 544 95.545 37.077 43.535 1.00 8.09 C -ATOM 4217 CZ PHE A 544 96.339 36.635 42.494 1.00 9.18 C -ATOM 4218 N LYS A 545 98.326 33.439 48.876 1.00 21.09 N -ATOM 4219 CA LYS A 545 98.391 33.162 50.317 1.00 22.28 C -ATOM 4220 C LYS A 545 99.741 33.574 50.927 1.00 22.04 C -ATOM 4221 O LYS A 545 99.796 34.113 52.031 1.00 20.58 O -ATOM 4222 CB LYS A 545 98.133 31.684 50.622 1.00 22.60 C -ATOM 4223 CG LYS A 545 97.863 31.450 52.109 1.00 23.46 C -ATOM 4224 CD LYS A 545 97.881 30.002 52.484 1.00 25.21 C -ATOM 4225 CE LYS A 545 98.001 29.877 53.985 1.00 28.98 C -ATOM 4226 NZ LYS A 545 98.562 28.543 54.422 1.00 33.36 N -ATOM 4227 N GLU A 546 100.828 33.305 50.215 1.00 23.83 N -ATOM 4228 CA GLU A 546 102.154 33.666 50.716 1.00 26.14 C -ATOM 4229 C GLU A 546 102.744 34.881 49.986 1.00 25.26 C -ATOM 4230 O GLU A 546 103.180 35.841 50.617 1.00 25.23 O -ATOM 4231 CB GLU A 546 103.092 32.456 50.670 1.00 29.12 C -ATOM 4232 CG GLU A 546 102.651 31.281 51.589 1.00 33.84 C -ATOM 4233 CD GLU A 546 102.768 31.596 53.091 1.00 36.84 C -ATOM 4234 OE1 GLU A 546 103.897 31.881 53.561 1.00 39.16 O -ATOM 4235 OE2 GLU A 546 101.740 31.539 53.807 1.00 38.95 O -ATOM 4236 N LYS A 547 102.738 34.856 48.662 1.00 24.49 N -ATOM 4237 CA LYS A 547 103.243 35.989 47.909 1.00 24.59 C -ATOM 4238 C LYS A 547 102.239 36.303 46.805 1.00 23.54 C -ATOM 4239 O LYS A 547 101.279 35.561 46.634 1.00 22.83 O -ATOM 4240 CB LYS A 547 104.643 35.719 47.349 1.00 26.55 C -ATOM 4241 CG LYS A 547 104.717 34.667 46.264 1.00 29.20 C -ATOM 4242 CD LYS A 547 106.154 34.480 45.785 1.00 31.07 C -ATOM 4243 CE LYS A 547 106.199 33.518 44.603 1.00 32.92 C -ATOM 4244 NZ LYS A 547 105.236 33.939 43.524 1.00 34.06 N -ATOM 4245 N PHE A 548 102.475 37.380 46.052 1.00 22.27 N -ATOM 4246 CA PHE A 548 101.561 37.813 45.004 1.00 20.69 C -ATOM 4247 C PHE A 548 101.836 37.445 43.547 1.00 22.03 C -ATOM 4248 O PHE A 548 101.165 37.971 42.665 1.00 24.44 O -ATOM 4249 CB PHE A 548 101.352 39.326 45.081 1.00 17.79 C -ATOM 4250 CG PHE A 548 100.208 39.751 45.964 1.00 18.14 C -ATOM 4251 CD1 PHE A 548 98.945 39.209 45.815 1.00 16.39 C -ATOM 4252 CD2 PHE A 548 100.395 40.708 46.956 1.00 17.97 C -ATOM 4253 CE1 PHE A 548 97.888 39.611 46.645 1.00 15.32 C -ATOM 4254 CE2 PHE A 548 99.338 41.105 47.778 1.00 16.20 C -ATOM 4255 CZ PHE A 548 98.088 40.554 47.620 1.00 14.35 C -ATOM 4256 N ASP A 549 102.813 36.602 43.245 1.00 20.72 N -ATOM 4257 CA ASP A 549 103.036 36.272 41.830 1.00 21.70 C -ATOM 4258 C ASP A 549 103.521 37.424 40.933 1.00 22.29 C -ATOM 4259 O ASP A 549 103.677 37.243 39.716 1.00 21.99 O -ATOM 4260 CB ASP A 549 101.771 35.697 41.197 1.00 21.26 C -ATOM 4261 CG ASP A 549 101.313 34.438 41.858 1.00 22.63 C -ATOM 4262 OD1 ASP A 549 101.826 34.095 42.953 1.00 20.84 O -ATOM 4263 OD2 ASP A 549 100.425 33.788 41.265 1.00 25.27 O -ATOM 4264 N THR A 550 103.652 38.623 41.496 1.00 21.83 N -ATOM 4265 CA THR A 550 104.170 39.752 40.734 1.00 20.40 C -ATOM 4266 C THR A 550 105.673 39.461 40.687 1.00 21.06 C -ATOM 4267 O THR A 550 106.166 38.599 41.440 1.00 20.83 O -ATOM 4268 CB THR A 550 103.864 41.087 41.430 1.00 19.33 C -ATOM 4269 OG1 THR A 550 104.047 40.945 42.845 1.00 19.02 O -ATOM 4270 CG2 THR A 550 102.437 41.522 41.134 1.00 15.56 C -ATOM 4271 N PRO A 551 106.422 40.137 39.809 1.00 21.28 N -ATOM 4272 CA PRO A 551 107.862 39.851 39.752 1.00 22.10 C -ATOM 4273 C PRO A 551 108.574 39.937 41.082 1.00 22.04 C -ATOM 4274 O PRO A 551 109.501 39.184 41.328 1.00 23.96 O -ATOM 4275 CB PRO A 551 108.392 40.866 38.742 1.00 22.42 C -ATOM 4276 CG PRO A 551 107.314 41.962 38.730 1.00 24.48 C -ATOM 4277 CD PRO A 551 106.045 41.179 38.845 1.00 21.99 C -ATOM 4278 N ASN A 552 108.084 40.797 41.964 1.00 21.90 N -ATOM 4279 CA ASN A 552 108.686 40.970 43.273 1.00 21.38 C -ATOM 4280 C ASN A 552 107.745 40.707 44.460 1.00 21.70 C -ATOM 4281 O ASN A 552 107.947 41.262 45.533 1.00 23.16 O -ATOM 4282 CB ASN A 552 109.293 42.370 43.382 1.00 22.16 C -ATOM 4283 CG ASN A 552 108.247 43.446 43.501 1.00 22.09 C -ATOM 4284 OD1 ASN A 552 107.304 43.510 42.708 1.00 23.05 O -ATOM 4285 ND2 ASN A 552 108.403 44.302 44.493 1.00 23.52 N -ATOM 4286 N GLY A 553 106.669 39.952 44.238 1.00 20.65 N -ATOM 4287 CA GLY A 553 105.759 39.588 45.309 1.00 17.99 C -ATOM 4288 C GLY A 553 104.801 40.559 45.958 1.00 18.37 C -ATOM 4289 O GLY A 553 104.041 40.165 46.845 1.00 17.45 O -ATOM 4290 N LEU A 554 104.810 41.819 45.559 1.00 19.48 N -ATOM 4291 CA LEU A 554 103.870 42.781 46.160 1.00 19.46 C -ATOM 4292 C LEU A 554 102.731 43.086 45.186 1.00 18.87 C -ATOM 4293 O LEU A 554 102.920 43.002 43.972 1.00 19.74 O -ATOM 4294 CB LEU A 554 104.595 44.094 46.482 1.00 18.07 C -ATOM 4295 CG LEU A 554 105.944 44.013 47.197 1.00 16.98 C -ATOM 4296 CD1 LEU A 554 106.512 45.399 47.398 1.00 17.17 C -ATOM 4297 CD2 LEU A 554 105.769 43.328 48.521 1.00 17.13 C -ATOM 4298 N ALA A 555 101.539 43.371 45.684 1.00 18.39 N -ATOM 4299 CA ALA A 555 100.458 43.742 44.778 1.00 19.08 C -ATOM 4300 C ALA A 555 100.831 45.170 44.367 1.00 21.92 C -ATOM 4301 O ALA A 555 101.543 45.867 45.121 1.00 23.78 O -ATOM 4302 CB ALA A 555 99.160 43.749 45.494 1.00 18.32 C -ATOM 4303 N GLN A 556 100.400 45.603 43.181 1.00 21.89 N -ATOM 4304 CA GLN A 556 100.706 46.948 42.702 1.00 20.51 C -ATOM 4305 C GLN A 556 99.478 47.838 42.663 1.00 20.14 C -ATOM 4306 O GLN A 556 98.600 47.656 41.821 1.00 20.71 O -ATOM 4307 CB GLN A 556 101.350 46.885 41.326 1.00 21.16 C -ATOM 4308 CG GLN A 556 102.874 47.084 41.331 1.00 25.44 C -ATOM 4309 CD GLN A 556 103.678 45.985 42.077 1.00 27.25 C -ATOM 4310 OE1 GLN A 556 104.789 46.239 42.555 1.00 25.75 O -ATOM 4311 NE2 GLN A 556 103.137 44.774 42.140 1.00 25.38 N -ATOM 4312 N PHE A 557 99.412 48.790 43.589 1.00 19.27 N -ATOM 4313 CA PHE A 557 98.297 49.738 43.690 1.00 18.73 C -ATOM 4314 C PHE A 557 98.114 50.536 42.401 1.00 18.75 C -ATOM 4315 O PHE A 557 99.097 50.910 41.769 1.00 19.61 O -ATOM 4316 CB PHE A 557 98.585 50.727 44.809 1.00 17.53 C -ATOM 4317 CG PHE A 557 97.712 50.565 46.018 1.00 18.84 C -ATOM 4318 CD1 PHE A 557 96.390 51.021 46.006 1.00 18.81 C -ATOM 4319 CD2 PHE A 557 98.228 50.029 47.198 1.00 17.10 C -ATOM 4320 CE1 PHE A 557 95.602 50.954 47.156 1.00 18.93 C -ATOM 4321 CE2 PHE A 557 97.446 49.959 48.344 1.00 18.66 C -ATOM 4322 CZ PHE A 557 96.127 50.426 48.325 1.00 17.09 C -ATOM 4323 N PHE A 558 96.873 50.871 42.050 1.00 19.16 N -ATOM 4324 CA PHE A 558 96.634 51.642 40.833 1.00 18.43 C -ATOM 4325 C PHE A 558 95.247 52.233 40.557 1.00 18.69 C -ATOM 4326 O PHE A 558 94.233 51.647 40.885 1.00 19.13 O -ATOM 4327 CB PHE A 558 97.069 50.816 39.621 1.00 18.26 C -ATOM 4328 CG PHE A 558 96.833 51.499 38.312 1.00 19.11 C -ATOM 4329 CD1 PHE A 558 97.771 52.387 37.802 1.00 18.46 C -ATOM 4330 CD2 PHE A 558 95.651 51.278 37.602 1.00 19.54 C -ATOM 4331 CE1 PHE A 558 97.536 53.050 36.609 1.00 19.34 C -ATOM 4332 CE2 PHE A 558 95.398 51.928 36.409 1.00 20.34 C -ATOM 4333 CZ PHE A 558 96.345 52.823 35.905 1.00 20.99 C -ATOM 4334 N THR A 559 95.249 53.426 39.971 1.00 21.22 N -ATOM 4335 CA THR A 559 94.065 54.160 39.495 1.00 24.03 C -ATOM 4336 C THR A 559 94.510 55.224 38.505 1.00 24.88 C -ATOM 4337 O THR A 559 95.699 55.409 38.242 1.00 24.88 O -ATOM 4338 CB THR A 559 93.204 54.917 40.560 1.00 24.71 C -ATOM 4339 OG1 THR A 559 94.020 55.562 41.552 1.00 25.75 O -ATOM 4340 CG2 THR A 559 92.170 54.026 41.136 1.00 24.80 C -ATOM 4341 N CYS A 560 93.532 55.967 38.016 1.00 26.27 N -ATOM 4342 CA CYS A 560 93.765 57.034 37.073 1.00 27.43 C -ATOM 4343 C CYS A 560 92.536 57.913 37.167 1.00 27.70 C -ATOM 4344 O CYS A 560 91.717 57.747 38.077 1.00 27.21 O -ATOM 4345 CB CYS A 560 93.925 56.466 35.664 1.00 26.93 C -ATOM 4346 SG CYS A 560 92.521 55.536 35.077 1.00 29.10 S -ATOM 4347 N ASP A 561 92.432 58.879 36.269 1.00 28.58 N -ATOM 4348 CA ASP A 561 91.279 59.758 36.270 1.00 29.48 C -ATOM 4349 C ASP A 561 90.162 59.164 35.421 1.00 29.81 C -ATOM 4350 O ASP A 561 90.402 58.458 34.418 1.00 28.00 O -ATOM 4351 CB ASP A 561 91.653 61.150 35.761 1.00 30.47 C -ATOM 4352 CG ASP A 561 92.504 61.917 36.749 1.00 32.23 C -ATOM 4353 OD1 ASP A 561 92.017 62.178 37.882 1.00 31.40 O -ATOM 4354 OD2 ASP A 561 93.659 62.262 36.385 1.00 33.69 O -ATOM 4355 N TRP A 562 88.937 59.393 35.872 1.00 29.46 N -ATOM 4356 CA TRP A 562 87.786 58.896 35.153 1.00 29.70 C -ATOM 4357 C TRP A 562 87.795 59.515 33.745 1.00 29.34 C -ATOM 4358 O TRP A 562 88.401 60.558 33.517 1.00 28.68 O -ATOM 4359 CB TRP A 562 86.509 59.287 35.913 1.00 30.30 C -ATOM 4360 CG TRP A 562 85.273 58.993 35.144 1.00 31.58 C -ATOM 4361 CD1 TRP A 562 84.750 57.758 34.882 1.00 32.22 C -ATOM 4362 CD2 TRP A 562 84.462 59.932 34.420 1.00 32.00 C -ATOM 4363 NE1 TRP A 562 83.680 57.869 34.022 1.00 30.90 N -ATOM 4364 CE2 TRP A 562 83.478 59.189 33.725 1.00 31.51 C -ATOM 4365 CE3 TRP A 562 84.477 61.326 34.285 1.00 31.66 C -ATOM 4366 CZ2 TRP A 562 82.520 59.791 32.907 1.00 31.20 C -ATOM 4367 CZ3 TRP A 562 83.522 61.926 33.467 1.00 31.84 C -ATOM 4368 CH2 TRP A 562 82.558 61.156 32.790 1.00 31.86 C -ATOM 4369 N VAL A 563 87.205 58.820 32.787 1.00 28.99 N -ATOM 4370 CA VAL A 563 87.084 59.331 31.430 1.00 29.01 C -ATOM 4371 C VAL A 563 85.785 58.711 30.932 1.00 30.65 C -ATOM 4372 O VAL A 563 85.542 57.512 31.098 1.00 30.57 O -ATOM 4373 CB VAL A 563 88.262 58.920 30.486 1.00 28.75 C -ATOM 4374 CG1 VAL A 563 88.034 59.473 29.082 1.00 26.35 C -ATOM 4375 CG2 VAL A 563 89.588 59.419 31.019 1.00 26.11 C -ATOM 4376 N ALA A 564 84.921 59.550 30.385 1.00 32.03 N -ATOM 4377 CA ALA A 564 83.646 59.095 29.881 1.00 33.84 C -ATOM 4378 C ALA A 564 83.783 58.197 28.662 1.00 36.09 C -ATOM 4379 O ALA A 564 84.808 58.210 27.973 1.00 35.93 O -ATOM 4380 CB ALA A 564 82.787 60.278 29.553 1.00 34.67 C -ATOM 4381 N PRO A 565 82.764 57.355 28.409 1.00 38.25 N -ATOM 4382 CA PRO A 565 82.833 56.475 27.246 1.00 40.20 C -ATOM 4383 C PRO A 565 82.941 57.359 26.009 1.00 42.68 C -ATOM 4384 O PRO A 565 82.661 58.565 26.068 1.00 42.93 O -ATOM 4385 CB PRO A 565 81.492 55.747 27.300 1.00 39.62 C -ATOM 4386 CG PRO A 565 81.186 55.720 28.770 1.00 38.73 C -ATOM 4387 CD PRO A 565 81.532 57.108 29.181 1.00 37.60 C -ATOM 4388 N ILE A 566 83.241 56.737 24.878 1.00 45.26 N -ATOM 4389 CA ILE A 566 83.431 57.464 23.632 1.00 48.31 C -ATOM 4390 C ILE A 566 82.312 58.350 23.089 1.00 51.27 C -ATOM 4391 O ILE A 566 82.429 59.571 23.160 1.00 53.11 O -ATOM 4392 CB ILE A 566 83.991 56.530 22.575 1.00 47.45 C -ATOM 4393 CG1 ILE A 566 85.370 56.061 23.059 1.00 45.84 C -ATOM 4394 CG2 ILE A 566 84.030 57.221 21.215 1.00 47.87 C -ATOM 4395 CD1 ILE A 566 85.999 55.043 22.226 1.00 45.47 C -ATOM 4396 N ASP A 567 81.248 57.757 22.548 1.00 53.60 N -ATOM 4397 CA ASP A 567 80.119 58.518 21.986 1.00 56.21 C -ATOM 4398 C ASP A 567 79.575 59.571 22.969 1.00 58.46 C -ATOM 4399 O ASP A 567 79.857 59.498 24.162 1.00 58.89 O -ATOM 4400 CB ASP A 567 78.989 57.548 21.611 1.00 56.04 C -ATOM 4401 CG ASP A 567 79.468 56.356 20.772 1.00 56.42 C -ATOM 4402 OD1 ASP A 567 80.615 56.361 20.275 1.00 57.03 O -ATOM 4403 OD2 ASP A 567 78.686 55.397 20.610 1.00 55.42 O -ATOM 4404 N LYS A 568 78.812 60.554 22.488 1.00 60.98 N -ATOM 4405 CA LYS A 568 78.250 61.541 23.413 1.00 64.18 C -ATOM 4406 C LYS A 568 76.744 61.729 23.269 1.00 65.15 C -ATOM 4407 O LYS A 568 76.235 62.001 22.177 1.00 65.66 O -ATOM 4408 CB LYS A 568 78.933 62.918 23.319 1.00 66.33 C -ATOM 4409 CG LYS A 568 78.261 63.972 24.263 1.00 67.62 C -ATOM 4410 CD LYS A 568 78.377 65.418 23.781 1.00 67.05 C -ATOM 4411 CE LYS A 568 79.777 65.949 23.969 1.00 67.33 C -ATOM 4412 NZ LYS A 568 79.896 67.351 23.483 1.00 67.77 N -ATOM 4413 N LEU A 569 76.043 61.628 24.392 1.00 65.90 N -ATOM 4414 CA LEU A 569 74.606 61.807 24.402 1.00 66.47 C -ATOM 4415 C LEU A 569 74.313 63.228 23.955 1.00 67.13 C -ATOM 4416 O LEU A 569 74.732 64.194 24.607 1.00 67.78 O -ATOM 4417 CB LEU A 569 74.044 61.589 25.806 1.00 65.79 C -ATOM 4418 CG LEU A 569 74.395 60.255 26.443 1.00 65.16 C -ATOM 4419 CD1 LEU A 569 73.645 60.139 27.749 1.00 65.25 C -ATOM 4420 CD2 LEU A 569 74.051 59.108 25.496 1.00 65.25 C -ATOM 4421 N THR A 570 73.672 63.346 22.798 1.00 67.09 N -ATOM 4422 CA THR A 570 73.307 64.649 22.262 1.00 67.04 C -ATOM 4423 C THR A 570 71.925 65.053 22.828 1.00 67.84 C -ATOM 4424 O THR A 570 71.534 64.606 23.915 1.00 67.25 O -ATOM 4425 CB THR A 570 73.284 64.604 20.711 1.00 65.46 C -ATOM 4426 OG1 THR A 570 72.106 63.929 20.266 1.00 63.32 O -ATOM 4427 CG2 THR A 570 74.504 63.850 20.180 1.00 63.81 C -ATOM 4428 N ASP A 571 71.214 65.935 22.125 1.00 68.51 N -ATOM 4429 CA ASP A 571 69.875 66.332 22.551 1.00 69.20 C -ATOM 4430 C ASP A 571 68.898 65.402 21.823 1.00 69.67 C -ATOM 4431 O ASP A 571 67.732 65.256 22.211 1.00 70.69 O -ATOM 4432 CB ASP A 571 69.593 67.798 22.196 1.00 69.60 C -ATOM 4433 CG ASP A 571 69.364 68.017 20.710 1.00 69.58 C -ATOM 4434 OD1 ASP A 571 70.359 68.074 19.955 1.00 68.24 O -ATOM 4435 OD2 ASP A 571 68.182 68.142 20.307 1.00 70.11 O -ATOM 4436 N GLU A 572 69.398 64.784 20.755 1.00 68.92 N -ATOM 4437 CA GLU A 572 68.622 63.856 19.950 1.00 68.05 C -ATOM 4438 C GLU A 572 68.717 62.425 20.483 1.00 67.00 C -ATOM 4439 O GLU A 572 67.766 61.650 20.391 1.00 68.15 O -ATOM 4440 CB GLU A 572 69.140 63.871 18.516 1.00 69.17 C -ATOM 4441 CG GLU A 572 68.667 65.038 17.699 1.00 74.00 C -ATOM 4442 CD GLU A 572 67.148 65.042 17.514 1.00 76.30 C -ATOM 4443 OE1 GLU A 572 66.601 64.058 16.947 1.00 75.58 O -ATOM 4444 OE2 GLU A 572 66.509 66.037 17.939 1.00 77.57 O -ATOM 4445 N TYR A 573 69.865 62.073 21.054 1.00 63.94 N -ATOM 4446 CA TYR A 573 70.070 60.720 21.535 1.00 59.77 C -ATOM 4447 C TYR A 573 70.524 60.718 22.967 1.00 58.18 C -ATOM 4448 O TYR A 573 71.576 60.171 23.277 1.00 58.30 O -ATOM 4449 CB TYR A 573 71.127 60.007 20.675 1.00 59.09 C -ATOM 4450 CG TYR A 573 71.186 60.528 19.267 1.00 59.10 C -ATOM 4451 CD1 TYR A 573 70.153 60.282 18.377 1.00 59.17 C -ATOM 4452 CD2 TYR A 573 72.188 61.408 18.877 1.00 60.50 C -ATOM 4453 CE1 TYR A 573 70.098 60.909 17.144 1.00 59.76 C -ATOM 4454 CE2 TYR A 573 72.144 62.050 17.642 1.00 60.81 C -ATOM 4455 CZ TYR A 573 71.087 61.798 16.784 1.00 60.58 C -ATOM 4456 OH TYR A 573 70.987 62.480 15.592 1.00 61.59 O -ATOM 4457 N PRO A 574 69.759 61.346 23.872 1.00 56.67 N -ATOM 4458 CA PRO A 574 70.240 61.306 25.261 1.00 55.57 C -ATOM 4459 C PRO A 574 70.262 59.856 25.762 1.00 54.21 C -ATOM 4460 O PRO A 574 70.726 59.563 26.870 1.00 53.36 O -ATOM 4461 CB PRO A 574 69.215 62.175 26.011 1.00 55.72 C -ATOM 4462 CG PRO A 574 67.975 62.100 25.151 1.00 55.38 C -ATOM 4463 CD PRO A 574 68.533 62.155 23.752 1.00 55.81 C -ATOM 4464 N MET A 575 69.767 58.962 24.906 1.00 52.66 N -ATOM 4465 CA MET A 575 69.686 57.541 25.178 1.00 51.43 C -ATOM 4466 C MET A 575 70.995 56.754 25.113 1.00 50.15 C -ATOM 4467 O MET A 575 71.717 56.790 24.115 1.00 51.44 O -ATOM 4468 CB MET A 575 68.629 56.912 24.271 1.00 50.76 C -ATOM 4469 CG MET A 575 67.238 57.098 24.820 1.00 50.69 C -ATOM 4470 SD MET A 575 67.238 56.561 26.545 1.00 50.46 S -ATOM 4471 CE MET A 575 65.627 57.130 27.108 1.00 52.30 C -ATOM 4472 N VAL A 576 71.285 56.042 26.197 1.00 47.35 N -ATOM 4473 CA VAL A 576 72.480 55.218 26.308 1.00 45.04 C -ATOM 4474 C VAL A 576 72.089 53.756 26.063 1.00 42.89 C -ATOM 4475 O VAL A 576 71.238 53.228 26.772 1.00 43.65 O -ATOM 4476 CB VAL A 576 73.078 55.298 27.760 1.00 45.71 C -ATOM 4477 CG1 VAL A 576 74.246 54.325 27.923 1.00 44.30 C -ATOM 4478 CG2 VAL A 576 73.514 56.711 28.096 1.00 44.58 C -ATOM 4479 N LEU A 577 72.637 53.114 25.039 1.00 39.73 N -ATOM 4480 CA LEU A 577 72.330 51.701 24.838 1.00 36.81 C -ATOM 4481 C LEU A 577 73.403 50.932 25.594 1.00 34.94 C -ATOM 4482 O LEU A 577 74.602 51.172 25.414 1.00 35.10 O -ATOM 4483 CB LEU A 577 72.363 51.294 23.355 1.00 36.40 C -ATOM 4484 CG LEU A 577 72.329 49.772 23.079 1.00 36.55 C -ATOM 4485 CD1 LEU A 577 70.963 49.211 23.439 1.00 37.81 C -ATOM 4486 CD2 LEU A 577 72.678 49.420 21.629 1.00 34.20 C -ATOM 4487 N SER A 578 72.988 50.056 26.487 1.00 32.61 N -ATOM 4488 CA SER A 578 73.955 49.262 27.218 1.00 31.91 C -ATOM 4489 C SER A 578 73.573 47.822 26.942 1.00 31.19 C -ATOM 4490 O SER A 578 72.508 47.363 27.362 1.00 30.06 O -ATOM 4491 CB SER A 578 73.887 49.592 28.705 1.00 31.84 C -ATOM 4492 OG SER A 578 74.759 48.785 29.465 1.00 32.21 O -ATOM 4493 N THR A 579 74.366 47.151 26.114 1.00 31.35 N -ATOM 4494 CA THR A 579 74.061 45.773 25.784 1.00 31.33 C -ATOM 4495 C THR A 579 74.479 44.839 26.902 1.00 32.45 C -ATOM 4496 O THR A 579 75.535 44.992 27.523 1.00 31.96 O -ATOM 4497 CB THR A 579 74.638 45.329 24.443 1.00 29.78 C -ATOM 4498 OG1 THR A 579 76.059 45.163 24.542 1.00 30.20 O -ATOM 4499 CG2 THR A 579 74.296 46.353 23.385 1.00 28.40 C -ATOM 4500 N VAL A 580 73.608 43.868 27.134 1.00 33.43 N -ATOM 4501 CA VAL A 580 73.735 42.886 28.185 1.00 33.40 C -ATOM 4502 C VAL A 580 73.388 41.526 27.547 1.00 32.97 C -ATOM 4503 O VAL A 580 73.590 41.325 26.344 1.00 32.38 O -ATOM 4504 CB VAL A 580 72.757 43.304 29.343 1.00 32.29 C -ATOM 4505 CG1 VAL A 580 71.311 43.293 28.864 1.00 31.45 C -ATOM 4506 CG2 VAL A 580 72.952 42.455 30.573 1.00 34.30 C -ATOM 4507 N ARG A 581 72.888 40.600 28.350 1.00 34.01 N -ATOM 4508 CA ARG A 581 72.491 39.273 27.903 1.00 35.42 C -ATOM 4509 C ARG A 581 71.160 38.986 28.609 1.00 36.25 C -ATOM 4510 O ARG A 581 70.704 39.793 29.427 1.00 36.73 O -ATOM 4511 CB ARG A 581 73.557 38.234 28.301 1.00 35.41 C -ATOM 4512 CG ARG A 581 73.915 38.202 29.799 1.00 36.63 C -ATOM 4513 CD ARG A 581 75.421 37.976 30.029 1.00 37.12 C -ATOM 4514 NE ARG A 581 76.254 39.036 29.448 1.00 38.30 N -ATOM 4515 CZ ARG A 581 77.138 38.860 28.465 1.00 39.38 C -ATOM 4516 NH1 ARG A 581 77.343 37.660 27.931 1.00 40.09 N -ATOM 4517 NH2 ARG A 581 77.778 39.899 27.963 1.00 39.83 N -ATOM 4518 N GLU A 582 70.498 37.894 28.247 1.00 36.96 N -ATOM 4519 CA GLU A 582 69.241 37.538 28.900 1.00 36.49 C -ATOM 4520 C GLU A 582 69.332 36.093 29.373 1.00 35.03 C -ATOM 4521 O GLU A 582 70.216 35.355 28.935 1.00 34.78 O -ATOM 4522 CB GLU A 582 68.054 37.743 27.949 1.00 38.00 C -ATOM 4523 CG GLU A 582 67.662 36.546 27.106 1.00 41.14 C -ATOM 4524 CD GLU A 582 66.769 36.918 25.938 1.00 43.73 C -ATOM 4525 OE1 GLU A 582 66.949 38.017 25.364 1.00 44.32 O -ATOM 4526 OE2 GLU A 582 65.883 36.106 25.589 1.00 45.09 O -ATOM 4527 N VAL A 583 68.469 35.706 30.303 1.00 33.54 N -ATOM 4528 CA VAL A 583 68.465 34.334 30.798 1.00 33.31 C -ATOM 4529 C VAL A 583 67.682 33.490 29.812 1.00 33.15 C -ATOM 4530 O VAL A 583 67.032 34.025 28.919 1.00 35.91 O -ATOM 4531 CB VAL A 583 67.754 34.209 32.134 1.00 34.00 C -ATOM 4532 CG1 VAL A 583 68.382 33.069 32.957 1.00 35.09 C -ATOM 4533 CG2 VAL A 583 67.772 35.531 32.876 1.00 35.47 C -ATOM 4534 N GLY A 584 67.761 32.173 29.928 1.00 32.23 N -ATOM 4535 CA GLY A 584 66.998 31.337 29.014 1.00 30.66 C -ATOM 4536 C GLY A 584 67.561 31.302 27.613 1.00 30.10 C -ATOM 4537 O GLY A 584 67.150 30.478 26.806 1.00 31.07 O -ATOM 4538 N HIS A 585 68.443 32.239 27.291 1.00 29.43 N -ATOM 4539 CA HIS A 585 69.089 32.270 25.994 1.00 30.00 C -ATOM 4540 C HIS A 585 70.561 32.580 26.213 1.00 29.33 C -ATOM 4541 O HIS A 585 70.898 33.484 26.973 1.00 29.86 O -ATOM 4542 CB HIS A 585 68.381 33.246 25.064 1.00 32.78 C -ATOM 4543 CG HIS A 585 67.044 32.744 24.619 1.00 36.62 C -ATOM 4544 ND1 HIS A 585 66.905 31.760 23.663 1.00 37.97 N -ATOM 4545 CD2 HIS A 585 65.800 32.974 25.104 1.00 38.39 C -ATOM 4546 CE1 HIS A 585 65.637 31.392 23.590 1.00 39.71 C -ATOM 4547 NE2 HIS A 585 64.947 32.112 24.454 1.00 40.22 N -ATOM 4548 N TYR A 586 71.442 31.800 25.594 1.00 28.38 N -ATOM 4549 CA TYR A 586 72.876 31.981 25.813 1.00 28.48 C -ATOM 4550 C TYR A 586 73.736 32.371 24.598 1.00 29.02 C -ATOM 4551 O TYR A 586 73.919 31.567 23.675 1.00 30.78 O -ATOM 4552 CB TYR A 586 73.435 30.707 26.465 1.00 26.66 C -ATOM 4553 CG TYR A 586 74.836 30.863 26.957 1.00 26.27 C -ATOM 4554 CD1 TYR A 586 75.918 30.717 26.088 1.00 25.21 C -ATOM 4555 CD2 TYR A 586 75.095 31.220 28.281 1.00 26.44 C -ATOM 4556 CE1 TYR A 586 77.226 30.933 26.518 1.00 24.46 C -ATOM 4557 CE2 TYR A 586 76.414 31.435 28.725 1.00 26.25 C -ATOM 4558 CZ TYR A 586 77.464 31.292 27.825 1.00 25.11 C -ATOM 4559 OH TYR A 586 78.748 31.549 28.220 1.00 27.61 O -ATOM 4560 N SER A 587 74.293 33.582 24.624 1.00 28.00 N -ATOM 4561 CA SER A 587 75.155 34.084 23.549 1.00 27.37 C -ATOM 4562 C SER A 587 74.538 33.964 22.144 1.00 27.25 C -ATOM 4563 O SER A 587 73.486 34.519 21.868 1.00 27.86 O -ATOM 4564 CB SER A 587 76.516 33.375 23.599 1.00 25.80 C -ATOM 4565 OG SER A 587 77.177 33.597 24.826 1.00 24.73 O -ATOM 4566 N CYS A 588 75.236 33.261 21.262 1.00 28.37 N -ATOM 4567 CA CYS A 588 74.833 32.994 19.883 1.00 29.47 C -ATOM 4568 C CYS A 588 73.381 32.522 19.742 1.00 28.46 C -ATOM 4569 O CYS A 588 72.773 32.678 18.683 1.00 28.89 O -ATOM 4570 CB CYS A 588 75.692 31.852 19.365 1.00 30.45 C -ATOM 4571 SG CYS A 588 76.302 32.016 17.750 1.00 35.11 S -ATOM 4572 N ARG A 589 72.892 31.819 20.755 1.00 26.18 N -ATOM 4573 CA ARG A 589 71.545 31.286 20.730 1.00 25.85 C -ATOM 4574 C ARG A 589 71.448 30.203 19.648 1.00 25.79 C -ATOM 4575 O ARG A 589 70.360 29.824 19.224 1.00 25.82 O -ATOM 4576 CB ARG A 589 70.537 32.401 20.479 1.00 25.93 C -ATOM 4577 CG ARG A 589 69.155 32.120 21.040 1.00 26.63 C -ATOM 4578 CD ARG A 589 68.264 33.307 20.848 1.00 26.62 C -ATOM 4579 NE ARG A 589 68.327 33.740 19.461 1.00 27.02 N -ATOM 4580 CZ ARG A 589 67.430 33.429 18.540 1.00 29.18 C -ATOM 4581 NH1 ARG A 589 66.377 32.673 18.846 1.00 30.08 N -ATOM 4582 NH2 ARG A 589 67.587 33.890 17.307 1.00 31.63 N -ATOM 4583 N SER A 590 72.608 29.659 19.287 1.00 25.46 N -ATOM 4584 CA SER A 590 72.776 28.614 18.278 1.00 24.52 C -ATOM 4585 C SER A 590 72.372 27.264 18.874 1.00 24.38 C -ATOM 4586 O SER A 590 71.847 26.359 18.200 1.00 23.24 O -ATOM 4587 CB SER A 590 74.255 28.562 17.921 1.00 25.21 C -ATOM 4588 OG SER A 590 74.458 28.204 16.575 1.00 29.39 O -ATOM 4589 N MET A 591 72.707 27.113 20.146 1.00 23.45 N -ATOM 4590 CA MET A 591 72.402 25.907 20.868 1.00 21.93 C -ATOM 4591 C MET A 591 71.060 26.173 21.487 1.00 22.34 C -ATOM 4592 O MET A 591 70.071 25.568 21.103 1.00 24.79 O -ATOM 4593 CB MET A 591 73.473 25.665 21.934 1.00 21.43 C -ATOM 4594 CG MET A 591 74.819 25.217 21.349 1.00 19.26 C -ATOM 4595 SD MET A 591 76.179 25.300 22.505 1.00 19.24 S -ATOM 4596 CE MET A 591 76.143 23.711 23.241 1.00 19.16 C -ATOM 4597 N THR A 592 71.009 27.215 22.304 1.00 21.90 N -ATOM 4598 CA THR A 592 69.801 27.610 23.013 1.00 20.43 C -ATOM 4599 C THR A 592 68.586 27.849 22.125 1.00 18.88 C -ATOM 4600 O THR A 592 67.497 27.355 22.405 1.00 18.59 O -ATOM 4601 CB THR A 592 70.113 28.810 23.958 1.00 20.90 C -ATOM 4602 OG1 THR A 592 70.294 28.331 25.297 1.00 22.20 O -ATOM 4603 CG2 THR A 592 69.015 29.799 23.965 1.00 22.26 C -ATOM 4604 N GLY A 593 68.774 28.568 21.034 1.00 18.51 N -ATOM 4605 CA GLY A 593 67.659 28.824 20.148 1.00 19.12 C -ATOM 4606 C GLY A 593 67.161 27.566 19.458 1.00 19.98 C -ATOM 4607 O GLY A 593 66.054 27.560 18.963 1.00 22.03 O -ATOM 4608 N ASN A 594 67.971 26.509 19.396 1.00 20.49 N -ATOM 4609 CA ASN A 594 67.558 25.261 18.746 1.00 19.20 C -ATOM 4610 C ASN A 594 67.014 24.284 19.789 1.00 18.58 C -ATOM 4611 O ASN A 594 66.871 23.096 19.531 1.00 18.42 O -ATOM 4612 CB ASN A 594 68.717 24.636 17.940 1.00 19.84 C -ATOM 4613 CG ASN A 594 68.910 25.284 16.546 1.00 21.19 C -ATOM 4614 OD1 ASN A 594 67.957 25.437 15.783 1.00 21.41 O -ATOM 4615 ND2 ASN A 594 70.147 25.649 16.217 1.00 20.01 N -ATOM 4616 N CYS A 595 66.707 24.799 20.975 1.00 18.27 N -ATOM 4617 CA CYS A 595 66.145 23.989 22.052 1.00 16.53 C -ATOM 4618 C CYS A 595 64.654 24.299 22.239 1.00 18.19 C -ATOM 4619 O CYS A 595 64.283 25.401 22.656 1.00 17.17 O -ATOM 4620 CB CYS A 595 66.882 24.236 23.361 1.00 14.58 C -ATOM 4621 SG CYS A 595 68.403 23.336 23.525 1.00 9.76 S -ATOM 4622 N ALA A 596 63.820 23.294 21.955 1.00 19.96 N -ATOM 4623 CA ALA A 596 62.362 23.350 22.052 1.00 18.88 C -ATOM 4624 C ALA A 596 61.800 24.178 23.208 1.00 20.02 C -ATOM 4625 O ALA A 596 61.115 25.166 22.975 1.00 21.42 O -ATOM 4626 CB ALA A 596 61.824 21.964 22.124 1.00 18.85 C -ATOM 4627 N ALA A 597 62.086 23.807 24.454 1.00 19.41 N -ATOM 4628 CA ALA A 597 61.536 24.581 25.562 1.00 18.84 C -ATOM 4629 C ALA A 597 62.079 26.014 25.734 1.00 19.36 C -ATOM 4630 O ALA A 597 61.318 26.915 26.068 1.00 21.52 O -ATOM 4631 CB ALA A 597 61.628 23.808 26.846 1.00 18.61 C -ATOM 4632 N LEU A 598 63.363 26.251 25.486 1.00 18.19 N -ATOM 4633 CA LEU A 598 63.904 27.608 25.641 1.00 18.18 C -ATOM 4634 C LEU A 598 63.460 28.514 24.485 1.00 18.50 C -ATOM 4635 O LEU A 598 63.264 29.724 24.652 1.00 18.83 O -ATOM 4636 CB LEU A 598 65.438 27.603 25.701 1.00 16.28 C -ATOM 4637 CG LEU A 598 66.181 26.743 26.713 1.00 15.70 C -ATOM 4638 CD1 LEU A 598 67.660 27.010 26.531 1.00 15.89 C -ATOM 4639 CD2 LEU A 598 65.733 26.999 28.162 1.00 15.12 C -ATOM 4640 N ALA A 599 63.353 27.922 23.302 1.00 18.29 N -ATOM 4641 CA ALA A 599 62.944 28.634 22.108 1.00 17.94 C -ATOM 4642 C ALA A 599 61.537 29.187 22.349 1.00 19.74 C -ATOM 4643 O ALA A 599 61.238 30.351 22.037 1.00 18.55 O -ATOM 4644 CB ALA A 599 62.964 27.686 20.919 1.00 14.82 C -ATOM 4645 N ALA A 600 60.724 28.375 23.024 1.00 20.96 N -ATOM 4646 CA ALA A 600 59.343 28.716 23.357 1.00 21.89 C -ATOM 4647 C ALA A 600 59.121 29.864 24.372 1.00 21.54 C -ATOM 4648 O ALA A 600 57.985 30.267 24.580 1.00 20.90 O -ATOM 4649 CB ALA A 600 58.602 27.455 23.820 1.00 22.57 C -ATOM 4650 N LEU A 601 60.170 30.355 25.032 1.00 20.85 N -ATOM 4651 CA LEU A 601 60.004 31.462 25.989 1.00 20.78 C -ATOM 4652 C LEU A 601 60.483 32.783 25.379 1.00 21.19 C -ATOM 4653 O LEU A 601 60.230 33.881 25.923 1.00 19.60 O -ATOM 4654 CB LEU A 601 60.808 31.220 27.268 1.00 19.05 C -ATOM 4655 CG LEU A 601 60.635 29.951 28.079 1.00 18.58 C -ATOM 4656 CD1 LEU A 601 61.842 29.807 28.948 1.00 19.23 C -ATOM 4657 CD2 LEU A 601 59.391 29.982 28.915 1.00 18.12 C -ATOM 4658 N ALA A 602 61.228 32.669 24.281 1.00 21.72 N -ATOM 4659 CA ALA A 602 61.756 33.846 23.620 1.00 21.48 C -ATOM 4660 C ALA A 602 62.314 33.612 22.225 1.00 22.46 C -ATOM 4661 O ALA A 602 63.201 32.785 22.017 1.00 20.50 O -ATOM 4662 CB ALA A 602 62.802 34.462 24.483 1.00 22.12 C -ATOM 4663 N ASP A 603 61.749 34.329 21.265 1.00 25.37 N -ATOM 4664 CA ASP A 603 62.222 34.275 19.896 1.00 28.77 C -ATOM 4665 C ASP A 603 62.467 35.729 19.427 1.00 31.08 C -ATOM 4666 O ASP A 603 62.545 36.664 20.256 1.00 31.08 O -ATOM 4667 CB ASP A 603 61.248 33.534 18.980 1.00 30.09 C -ATOM 4668 CG ASP A 603 61.964 32.783 17.844 1.00 30.59 C -ATOM 4669 OD1 ASP A 603 63.040 33.250 17.404 1.00 30.26 O -ATOM 4670 OD2 ASP A 603 61.464 31.719 17.407 1.00 30.16 O -ATOM 4671 N GLU A 604 62.632 35.909 18.118 1.00 31.68 N -ATOM 4672 CA GLU A 604 62.917 37.209 17.524 1.00 31.36 C -ATOM 4673 C GLU A 604 61.788 38.210 17.700 1.00 32.35 C -ATOM 4674 O GLU A 604 60.616 37.808 17.792 1.00 33.43 O -ATOM 4675 CB GLU A 604 63.226 37.015 16.056 1.00 30.42 C -ATOM 4676 CG GLU A 604 64.361 36.048 15.845 1.00 32.32 C -ATOM 4677 CD GLU A 604 65.717 36.624 16.202 1.00 33.77 C -ATOM 4678 OE1 GLU A 604 65.785 37.767 16.693 1.00 34.70 O -ATOM 4679 OE2 GLU A 604 66.733 35.941 15.961 1.00 35.45 O -ATOM 4680 N PRO A 605 62.112 39.525 17.681 1.00 31.80 N -ATOM 4681 CA PRO A 605 63.435 40.151 17.510 1.00 31.71 C -ATOM 4682 C PRO A 605 64.261 40.373 18.786 1.00 31.49 C -ATOM 4683 O PRO A 605 65.477 40.543 18.726 1.00 32.79 O -ATOM 4684 CB PRO A 605 63.106 41.509 16.884 1.00 30.82 C -ATOM 4685 CG PRO A 605 61.581 41.529 16.742 1.00 31.17 C -ATOM 4686 CD PRO A 605 61.077 40.567 17.743 1.00 31.17 C -ATOM 4687 N GLY A 606 63.596 40.409 19.929 1.00 30.34 N -ATOM 4688 CA GLY A 606 64.290 40.650 21.177 1.00 28.41 C -ATOM 4689 C GLY A 606 63.561 41.790 21.847 1.00 27.50 C -ATOM 4690 O GLY A 606 62.586 42.285 21.289 1.00 28.31 O -ATOM 4691 N TYR A 607 64.020 42.206 23.024 1.00 26.90 N -ATOM 4692 CA TYR A 607 63.399 43.293 23.774 1.00 26.53 C -ATOM 4693 C TYR A 607 64.391 44.374 24.089 1.00 27.53 C -ATOM 4694 O TYR A 607 65.563 44.099 24.321 1.00 27.24 O -ATOM 4695 CB TYR A 607 62.857 42.805 25.117 1.00 25.64 C -ATOM 4696 CG TYR A 607 61.499 42.167 25.080 1.00 24.41 C -ATOM 4697 CD1 TYR A 607 60.347 42.950 25.087 1.00 25.14 C -ATOM 4698 CD2 TYR A 607 61.359 40.788 25.119 1.00 21.21 C -ATOM 4699 CE1 TYR A 607 59.088 42.372 25.145 1.00 24.16 C -ATOM 4700 CE2 TYR A 607 60.118 40.205 25.176 1.00 20.85 C -ATOM 4701 CZ TYR A 607 58.981 40.995 25.196 1.00 22.78 C -ATOM 4702 OH TYR A 607 57.738 40.405 25.307 1.00 22.49 O -ATOM 4703 N ALA A 608 63.897 45.602 24.151 1.00 30.05 N -ATOM 4704 CA ALA A 608 64.716 46.752 24.499 1.00 31.71 C -ATOM 4705 C ALA A 608 64.100 47.260 25.803 1.00 32.55 C -ATOM 4706 O ALA A 608 62.908 47.596 25.843 1.00 32.54 O -ATOM 4707 CB ALA A 608 64.644 47.817 23.403 1.00 31.78 C -ATOM 4708 N GLN A 609 64.880 47.192 26.881 1.00 33.33 N -ATOM 4709 CA GLN A 609 64.443 47.635 28.203 1.00 33.96 C -ATOM 4710 C GLN A 609 64.344 49.151 28.235 1.00 34.35 C -ATOM 4711 O GLN A 609 65.363 49.839 28.265 1.00 32.82 O -ATOM 4712 CB GLN A 609 65.439 47.200 29.269 1.00 34.60 C -ATOM 4713 CG GLN A 609 65.460 45.734 29.583 1.00 35.10 C -ATOM 4714 CD GLN A 609 66.338 45.449 30.787 1.00 35.93 C -ATOM 4715 OE1 GLN A 609 67.456 44.963 30.648 1.00 38.38 O -ATOM 4716 NE2 GLN A 609 65.848 45.784 31.976 1.00 35.34 N -ATOM 4717 N ILE A 610 63.116 49.660 28.262 1.00 35.81 N -ATOM 4718 CA ILE A 610 62.887 51.096 28.264 1.00 36.89 C -ATOM 4719 C ILE A 610 62.280 51.513 29.599 1.00 39.17 C -ATOM 4720 O ILE A 610 61.476 50.784 30.186 1.00 39.30 O -ATOM 4721 CB ILE A 610 62.027 51.539 27.029 1.00 35.53 C -ATOM 4722 CG1 ILE A 610 62.609 50.908 25.749 1.00 33.30 C -ATOM 4723 CG2 ILE A 610 62.066 53.063 26.864 1.00 33.98 C -ATOM 4724 CD1 ILE A 610 62.039 51.410 24.459 1.00 30.26 C -ATOM 4725 N ASN A 611 62.736 52.653 30.107 1.00 41.11 N -ATOM 4726 CA ASN A 611 62.296 53.171 31.389 1.00 44.58 C -ATOM 4727 C ASN A 611 60.859 53.663 31.432 1.00 48.53 C -ATOM 4728 O ASN A 611 60.444 54.442 30.576 1.00 49.37 O -ATOM 4729 CB ASN A 611 63.223 54.290 31.824 1.00 43.16 C -ATOM 4730 CG ASN A 611 62.737 54.983 33.059 1.00 42.25 C -ATOM 4731 OD1 ASN A 611 62.071 56.015 32.988 1.00 41.64 O -ATOM 4732 ND2 ASN A 611 63.046 54.411 34.206 1.00 42.25 N -ATOM 4733 N THR A 612 60.138 53.260 32.481 1.00 52.61 N -ATOM 4734 CA THR A 612 58.730 53.628 32.705 1.00 56.13 C -ATOM 4735 C THR A 612 58.496 55.121 32.520 1.00 59.05 C -ATOM 4736 O THR A 612 58.033 55.583 31.465 1.00 58.31 O -ATOM 4737 CB THR A 612 58.297 53.316 34.167 1.00 55.86 C -ATOM 4738 OG1 THR A 612 58.635 51.971 34.504 1.00 56.20 O -ATOM 4739 CG2 THR A 612 56.814 53.538 34.359 1.00 55.13 C -ATOM 4740 N GLU A 613 58.848 55.850 33.580 1.00 62.80 N -ATOM 4741 CA GLU A 613 58.704 57.289 33.670 1.00 65.54 C -ATOM 4742 C GLU A 613 58.954 57.987 32.332 1.00 66.35 C -ATOM 4743 O GLU A 613 58.044 58.625 31.801 1.00 67.26 O -ATOM 4744 CB GLU A 613 59.614 57.847 34.792 1.00 67.09 C -ATOM 4745 CG GLU A 613 58.942 58.054 36.188 1.00 68.34 C -ATOM 4746 CD GLU A 613 59.831 58.815 37.222 1.00 68.53 C -ATOM 4747 OE1 GLU A 613 60.823 59.475 36.828 1.00 67.83 O -ATOM 4748 OE2 GLU A 613 59.524 58.759 38.439 1.00 67.01 O -ATOM 4749 N ASP A 614 60.121 57.774 31.728 1.00 66.83 N -ATOM 4750 CA ASP A 614 60.418 58.446 30.466 1.00 67.82 C -ATOM 4751 C ASP A 614 59.851 57.831 29.197 1.00 68.37 C -ATOM 4752 O ASP A 614 59.895 58.458 28.139 1.00 68.63 O -ATOM 4753 CB ASP A 614 61.918 58.711 30.306 1.00 68.49 C -ATOM 4754 CG ASP A 614 62.664 57.565 29.644 1.00 69.29 C -ATOM 4755 OD1 ASP A 614 62.508 57.361 28.417 1.00 68.49 O -ATOM 4756 OD2 ASP A 614 63.452 56.900 30.349 1.00 70.24 O -ATOM 4757 N ALA A 615 59.383 56.593 29.264 1.00 68.88 N -ATOM 4758 CA ALA A 615 58.805 55.974 28.075 1.00 69.13 C -ATOM 4759 C ALA A 615 57.445 56.628 27.819 1.00 69.12 C -ATOM 4760 O ALA A 615 57.071 56.896 26.665 1.00 69.19 O -ATOM 4761 CB ALA A 615 58.644 54.487 28.272 1.00 69.45 C -ATOM 4762 N LYS A 616 56.733 56.924 28.910 1.00 68.28 N -ATOM 4763 CA LYS A 616 55.416 57.570 28.851 1.00 66.60 C -ATOM 4764 C LYS A 616 55.511 58.904 28.106 1.00 66.20 C -ATOM 4765 O LYS A 616 54.506 59.432 27.628 1.00 66.39 O -ATOM 4766 CB LYS A 616 54.873 57.842 30.266 1.00 64.54 C -ATOM 4767 CG LYS A 616 54.639 56.624 31.156 1.00 61.39 C -ATOM 4768 CD LYS A 616 54.348 57.100 32.580 1.00 59.35 C -ATOM 4769 CE LYS A 616 54.213 55.954 33.577 1.00 58.14 C -ATOM 4770 NZ LYS A 616 54.259 56.413 35.008 1.00 55.25 N -ATOM 4771 N ARG A 617 56.723 59.432 27.993 1.00 65.56 N -ATOM 4772 CA ARG A 617 56.949 60.710 27.335 1.00 65.66 C -ATOM 4773 C ARG A 617 57.792 60.518 26.062 1.00 64.16 C -ATOM 4774 O ARG A 617 58.414 61.450 25.541 1.00 63.22 O -ATOM 4775 CB ARG A 617 57.625 61.644 28.341 1.00 67.57 C -ATOM 4776 CG ARG A 617 57.766 63.082 27.905 1.00 71.38 C -ATOM 4777 CD ARG A 617 59.168 63.585 28.228 1.00 74.44 C -ATOM 4778 NE ARG A 617 60.198 62.636 27.797 1.00 75.88 N -ATOM 4779 CZ ARG A 617 60.838 61.808 28.620 1.00 77.20 C -ATOM 4780 NH1 ARG A 617 60.556 61.806 29.924 1.00 77.39 N -ATOM 4781 NH2 ARG A 617 61.783 61.004 28.146 1.00 77.72 N -ATOM 4782 N LEU A 618 57.765 59.293 25.554 1.00 63.01 N -ATOM 4783 CA LEU A 618 58.505 58.909 24.353 1.00 61.58 C -ATOM 4784 C LEU A 618 57.543 58.364 23.294 1.00 60.49 C -ATOM 4785 O LEU A 618 57.851 58.345 22.094 1.00 59.64 O -ATOM 4786 CB LEU A 618 59.547 57.839 24.714 1.00 61.71 C -ATOM 4787 CG LEU A 618 61.022 58.228 24.874 1.00 61.09 C -ATOM 4788 CD1 LEU A 618 61.785 58.131 23.543 1.00 59.97 C -ATOM 4789 CD2 LEU A 618 61.109 59.616 25.465 1.00 61.67 C -ATOM 4790 N GLY A 619 56.381 57.909 23.758 1.00 59.59 N -ATOM 4791 CA GLY A 619 55.374 57.369 22.861 1.00 58.56 C -ATOM 4792 C GLY A 619 55.668 55.929 22.507 1.00 57.37 C -ATOM 4793 O GLY A 619 55.488 55.507 21.362 1.00 58.06 O -ATOM 4794 N ILE A 620 56.111 55.171 23.502 1.00 55.19 N -ATOM 4795 CA ILE A 620 56.449 53.773 23.311 1.00 54.04 C -ATOM 4796 C ILE A 620 55.855 53.017 24.500 1.00 54.07 C -ATOM 4797 O ILE A 620 55.955 53.486 25.639 1.00 54.86 O -ATOM 4798 CB ILE A 620 57.999 53.597 23.309 1.00 54.28 C -ATOM 4799 CG1 ILE A 620 58.633 54.547 22.288 1.00 54.06 C -ATOM 4800 CG2 ILE A 620 58.392 52.150 22.987 1.00 52.35 C -ATOM 4801 CD1 ILE A 620 60.101 54.854 22.548 1.00 54.24 C -ATOM 4802 N GLU A 621 55.181 51.895 24.240 1.00 52.81 N -ATOM 4803 CA GLU A 621 54.610 51.090 25.325 1.00 50.84 C -ATOM 4804 C GLU A 621 55.050 49.644 25.186 1.00 48.40 C -ATOM 4805 O GLU A 621 55.555 49.229 24.141 1.00 47.52 O -ATOM 4806 CB GLU A 621 53.070 51.161 25.362 1.00 52.69 C -ATOM 4807 CG GLU A 621 52.445 51.786 26.658 1.00 53.48 C -ATOM 4808 CD GLU A 621 52.533 50.913 27.934 1.00 52.89 C -ATOM 4809 OE1 GLU A 621 53.653 50.565 28.367 1.00 53.28 O -ATOM 4810 OE2 GLU A 621 51.474 50.615 28.534 1.00 51.74 O -ATOM 4811 N ASP A 622 54.876 48.905 26.274 1.00 46.37 N -ATOM 4812 CA ASP A 622 55.213 47.492 26.378 1.00 44.77 C -ATOM 4813 C ASP A 622 54.781 46.759 25.089 1.00 42.88 C -ATOM 4814 O ASP A 622 53.788 47.128 24.468 1.00 42.55 O -ATOM 4815 CB ASP A 622 54.463 46.920 27.603 1.00 45.41 C -ATOM 4816 CG ASP A 622 55.211 45.782 28.310 1.00 47.61 C -ATOM 4817 OD1 ASP A 622 56.273 45.328 27.831 1.00 48.61 O -ATOM 4818 OD2 ASP A 622 54.721 45.332 29.372 1.00 47.77 O -ATOM 4819 N GLU A 623 55.579 45.782 24.664 1.00 40.52 N -ATOM 4820 CA GLU A 623 55.307 44.952 23.487 1.00 38.00 C -ATOM 4821 C GLU A 623 55.262 45.597 22.104 1.00 37.21 C -ATOM 4822 O GLU A 623 54.965 44.931 21.115 1.00 37.21 O -ATOM 4823 CB GLU A 623 54.041 44.134 23.707 1.00 37.07 C -ATOM 4824 CG GLU A 623 54.021 43.424 25.045 1.00 37.06 C -ATOM 4825 CD GLU A 623 55.313 42.719 25.343 1.00 36.37 C -ATOM 4826 OE1 GLU A 623 55.769 41.929 24.494 1.00 37.13 O -ATOM 4827 OE2 GLU A 623 55.881 42.964 26.422 1.00 37.11 O -ATOM 4828 N ALA A 624 55.629 46.862 22.012 1.00 35.99 N -ATOM 4829 CA ALA A 624 55.596 47.535 20.732 1.00 34.23 C -ATOM 4830 C ALA A 624 56.920 47.448 19.996 1.00 34.28 C -ATOM 4831 O ALA A 624 57.992 47.603 20.601 1.00 33.55 O -ATOM 4832 CB ALA A 624 55.206 48.985 20.932 1.00 34.87 C -ATOM 4833 N LEU A 625 56.847 47.184 18.692 1.00 33.70 N -ATOM 4834 CA LEU A 625 58.047 47.125 17.863 1.00 33.19 C -ATOM 4835 C LEU A 625 58.546 48.549 17.728 1.00 33.70 C -ATOM 4836 O LEU A 625 57.767 49.467 17.479 1.00 35.82 O -ATOM 4837 CB LEU A 625 57.744 46.503 16.506 1.00 32.45 C -ATOM 4838 CG LEU A 625 57.515 44.988 16.593 1.00 32.59 C -ATOM 4839 CD1 LEU A 625 57.312 44.405 15.214 1.00 32.06 C -ATOM 4840 CD2 LEU A 625 58.705 44.324 17.274 1.00 31.81 C -ATOM 4841 N VAL A 626 59.846 48.731 17.880 1.00 33.80 N -ATOM 4842 CA VAL A 626 60.470 50.045 17.861 1.00 33.01 C -ATOM 4843 C VAL A 626 61.792 50.003 17.052 1.00 34.32 C -ATOM 4844 O VAL A 626 62.288 48.927 16.687 1.00 34.44 O -ATOM 4845 CB VAL A 626 60.686 50.477 19.362 1.00 30.48 C -ATOM 4846 CG1 VAL A 626 61.887 49.789 19.966 1.00 28.85 C -ATOM 4847 CG2 VAL A 626 60.786 51.951 19.512 1.00 30.53 C -ATOM 4848 N TRP A 627 62.318 51.164 16.691 1.00 36.57 N -ATOM 4849 CA TRP A 627 63.576 51.219 15.945 1.00 39.36 C -ATOM 4850 C TRP A 627 64.723 51.798 16.784 1.00 39.29 C -ATOM 4851 O TRP A 627 64.521 52.694 17.615 1.00 40.74 O -ATOM 4852 CB TRP A 627 63.436 52.020 14.647 1.00 40.27 C -ATOM 4853 CG TRP A 627 62.754 51.271 13.559 1.00 42.07 C -ATOM 4854 CD1 TRP A 627 61.432 51.344 13.220 1.00 42.26 C -ATOM 4855 CD2 TRP A 627 63.348 50.325 12.655 1.00 42.28 C -ATOM 4856 NE1 TRP A 627 61.163 50.501 12.165 1.00 42.74 N -ATOM 4857 CE2 TRP A 627 62.321 49.865 11.796 1.00 42.12 C -ATOM 4858 CE3 TRP A 627 64.645 49.823 12.485 1.00 42.94 C -ATOM 4859 CZ2 TRP A 627 62.551 48.929 10.786 1.00 41.62 C -ATOM 4860 CZ3 TRP A 627 64.875 48.884 11.470 1.00 42.23 C -ATOM 4861 CH2 TRP A 627 63.831 48.451 10.639 1.00 42.03 C -ATOM 4862 N VAL A 628 65.927 51.306 16.526 1.00 38.53 N -ATOM 4863 CA VAL A 628 67.109 51.756 17.250 1.00 36.83 C -ATOM 4864 C VAL A 628 68.099 52.163 16.180 1.00 35.81 C -ATOM 4865 O VAL A 628 68.548 51.329 15.408 1.00 32.95 O -ATOM 4866 CB VAL A 628 67.759 50.631 18.084 1.00 37.46 C -ATOM 4867 CG1 VAL A 628 68.558 51.239 19.243 1.00 37.48 C -ATOM 4868 CG2 VAL A 628 66.717 49.679 18.597 1.00 36.72 C -ATOM 4869 N HIS A 629 68.412 53.449 16.114 1.00 35.84 N -ATOM 4870 CA HIS A 629 69.336 53.950 15.109 1.00 35.56 C -ATOM 4871 C HIS A 629 70.717 54.210 15.676 1.00 34.23 C -ATOM 4872 O HIS A 629 70.860 54.423 16.888 1.00 33.37 O -ATOM 4873 CB HIS A 629 68.760 55.206 14.468 1.00 37.75 C -ATOM 4874 CG HIS A 629 67.546 54.933 13.636 1.00 39.95 C -ATOM 4875 ND1 HIS A 629 66.447 54.252 14.118 1.00 41.05 N -ATOM 4876 CD2 HIS A 629 67.271 55.226 12.344 1.00 40.42 C -ATOM 4877 CE1 HIS A 629 65.553 54.126 13.148 1.00 39.84 C -ATOM 4878 NE2 HIS A 629 66.029 54.710 12.067 1.00 40.76 N -ATOM 4879 N SER A 630 71.707 54.270 14.785 1.00 32.64 N -ATOM 4880 CA SER A 630 73.100 54.484 15.181 1.00 32.73 C -ATOM 4881 C SER A 630 74.050 54.739 13.997 1.00 31.70 C -ATOM 4882 O SER A 630 73.777 54.380 12.844 1.00 32.43 O -ATOM 4883 CB SER A 630 73.614 53.286 16.011 1.00 32.08 C -ATOM 4884 OG SER A 630 74.826 52.739 15.498 1.00 30.28 O -ATOM 4885 N ARG A 631 75.169 55.367 14.316 1.00 29.32 N -ATOM 4886 CA ARG A 631 76.205 55.650 13.348 1.00 30.23 C -ATOM 4887 C ARG A 631 76.615 54.353 12.630 1.00 30.24 C -ATOM 4888 O ARG A 631 77.055 54.371 11.473 1.00 30.83 O -ATOM 4889 CB ARG A 631 77.385 56.274 14.099 1.00 31.35 C -ATOM 4890 CG ARG A 631 76.882 57.376 15.031 1.00 32.98 C -ATOM 4891 CD ARG A 631 77.917 58.068 15.871 1.00 34.57 C -ATOM 4892 NE ARG A 631 77.262 59.109 16.660 1.00 35.40 N -ATOM 4893 CZ ARG A 631 77.878 59.940 17.491 1.00 37.16 C -ATOM 4894 NH1 ARG A 631 79.196 59.874 17.657 1.00 39.06 N -ATOM 4895 NH2 ARG A 631 77.164 60.812 18.191 1.00 37.63 N -ATOM 4896 N LYS A 632 76.480 53.235 13.334 1.00 30.05 N -ATOM 4897 CA LYS A 632 76.822 51.922 12.786 1.00 29.43 C -ATOM 4898 C LYS A 632 75.613 51.235 12.165 1.00 28.57 C -ATOM 4899 O LYS A 632 75.765 50.396 11.268 1.00 27.39 O -ATOM 4900 CB LYS A 632 77.415 51.032 13.881 1.00 29.22 C -ATOM 4901 CG LYS A 632 78.632 51.633 14.519 1.00 27.69 C -ATOM 4902 CD LYS A 632 79.706 51.796 13.482 1.00 29.45 C -ATOM 4903 CE LYS A 632 80.381 53.138 13.558 1.00 29.99 C -ATOM 4904 NZ LYS A 632 81.646 53.073 12.776 1.00 28.84 N -ATOM 4905 N GLY A 633 74.415 51.631 12.603 1.00 28.26 N -ATOM 4906 CA GLY A 633 73.214 51.013 12.067 1.00 28.39 C -ATOM 4907 C GLY A 633 71.894 51.541 12.585 1.00 28.46 C -ATOM 4908 O GLY A 633 71.784 52.665 13.078 1.00 28.42 O -ATOM 4909 N LYS A 634 70.875 50.704 12.449 1.00 29.29 N -ATOM 4910 CA LYS A 634 69.523 51.020 12.875 1.00 31.05 C -ATOM 4911 C LYS A 634 68.858 49.640 12.963 1.00 32.23 C -ATOM 4912 O LYS A 634 68.717 48.931 11.952 1.00 32.89 O -ATOM 4913 CB LYS A 634 68.843 51.936 11.840 1.00 31.84 C -ATOM 4914 CG LYS A 634 67.323 51.814 11.748 1.00 32.80 C -ATOM 4915 CD LYS A 634 66.785 52.443 10.473 1.00 32.56 C -ATOM 4916 CE LYS A 634 65.254 52.470 10.479 1.00 32.43 C -ATOM 4917 NZ LYS A 634 64.699 53.542 9.591 1.00 32.95 N -ATOM 4918 N ILE A 635 68.630 49.200 14.201 1.00 32.64 N -ATOM 4919 CA ILE A 635 68.044 47.897 14.494 1.00 30.92 C -ATOM 4920 C ILE A 635 66.553 47.971 14.886 1.00 30.81 C -ATOM 4921 O ILE A 635 66.061 49.030 15.288 1.00 28.57 O -ATOM 4922 CB ILE A 635 68.929 47.183 15.571 1.00 29.51 C -ATOM 4923 CG1 ILE A 635 70.004 46.371 14.878 1.00 29.98 C -ATOM 4924 CG2 ILE A 635 68.124 46.335 16.526 1.00 28.89 C -ATOM 4925 CD1 ILE A 635 69.453 45.453 13.817 1.00 31.30 C -ATOM 4926 N ILE A 636 65.843 46.862 14.682 1.00 30.82 N -ATOM 4927 CA ILE A 636 64.426 46.769 15.026 1.00 31.80 C -ATOM 4928 C ILE A 636 64.350 45.854 16.243 1.00 32.05 C -ATOM 4929 O ILE A 636 65.105 44.876 16.312 1.00 30.59 O -ATOM 4930 CB ILE A 636 63.601 46.165 13.839 1.00 31.81 C -ATOM 4931 CG1 ILE A 636 62.116 46.512 13.970 1.00 31.48 C -ATOM 4932 CG2 ILE A 636 63.750 44.645 13.795 1.00 33.00 C -ATOM 4933 CD1 ILE A 636 61.301 45.507 14.755 1.00 31.15 C -ATOM 4934 N THR A 637 63.524 46.228 17.228 1.00 32.28 N -ATOM 4935 CA THR A 637 63.322 45.423 18.448 1.00 32.68 C -ATOM 4936 C THR A 637 61.970 45.693 19.054 1.00 33.05 C -ATOM 4937 O THR A 637 61.275 46.604 18.633 1.00 32.70 O -ATOM 4938 CB THR A 637 64.307 45.745 19.560 1.00 31.42 C -ATOM 4939 OG1 THR A 637 64.347 47.157 19.759 1.00 33.38 O -ATOM 4940 CG2 THR A 637 65.651 45.220 19.234 1.00 31.12 C -ATOM 4941 N ARG A 638 61.577 44.858 20.008 1.00 34.96 N -ATOM 4942 CA ARG A 638 60.309 45.039 20.702 1.00 36.14 C -ATOM 4943 C ARG A 638 60.642 45.733 22.007 1.00 37.28 C -ATOM 4944 O ARG A 638 61.638 45.412 22.657 1.00 37.74 O -ATOM 4945 CB ARG A 638 59.632 43.699 20.977 1.00 35.95 C -ATOM 4946 CG ARG A 638 58.539 43.775 22.032 1.00 34.72 C -ATOM 4947 CD ARG A 638 57.520 42.677 21.855 1.00 34.34 C -ATOM 4948 NE ARG A 638 56.760 42.853 20.621 1.00 34.77 N -ATOM 4949 CZ ARG A 638 57.018 42.212 19.489 1.00 34.92 C -ATOM 4950 NH1 ARG A 638 58.016 41.344 19.434 1.00 37.16 N -ATOM 4951 NH2 ARG A 638 56.306 42.461 18.402 1.00 34.89 N -ATOM 4952 N ALA A 639 59.842 46.723 22.363 1.00 37.68 N -ATOM 4953 CA ALA A 639 60.076 47.460 23.587 1.00 37.67 C -ATOM 4954 C ALA A 639 59.567 46.676 24.786 1.00 38.44 C -ATOM 4955 O ALA A 639 58.910 45.636 24.647 1.00 38.78 O -ATOM 4956 CB ALA A 639 59.373 48.789 23.510 1.00 38.54 C -ATOM 4957 N GLN A 640 59.936 47.140 25.968 1.00 38.38 N -ATOM 4958 CA GLN A 640 59.466 46.537 27.198 1.00 39.14 C -ATOM 4959 C GLN A 640 59.702 47.563 28.256 1.00 38.50 C -ATOM 4960 O GLN A 640 60.781 47.641 28.852 1.00 37.93 O -ATOM 4961 CB GLN A 640 60.147 45.213 27.555 1.00 41.08 C -ATOM 4962 CG GLN A 640 59.360 44.453 28.619 1.00 43.02 C -ATOM 4963 CD GLN A 640 59.856 43.046 28.836 1.00 46.83 C -ATOM 4964 OE1 GLN A 640 59.163 42.064 28.527 1.00 48.51 O -ATOM 4965 NE2 GLN A 640 61.052 42.927 29.402 1.00 47.36 N -ATOM 4966 N VAL A 641 58.707 48.432 28.382 1.00 38.67 N -ATOM 4967 CA VAL A 641 58.737 49.517 29.341 1.00 37.07 C -ATOM 4968 C VAL A 641 58.566 48.933 30.735 1.00 36.50 C -ATOM 4969 O VAL A 641 57.767 48.023 30.943 1.00 35.96 O -ATOM 4970 CB VAL A 641 57.652 50.562 29.027 1.00 35.04 C -ATOM 4971 CG1 VAL A 641 57.792 51.731 29.957 1.00 35.62 C -ATOM 4972 CG2 VAL A 641 57.792 51.039 27.592 1.00 34.45 C -ATOM 4973 N SER A 642 59.400 49.399 31.656 1.00 36.49 N -ATOM 4974 CA SER A 642 59.372 48.945 33.032 1.00 36.92 C -ATOM 4975 C SER A 642 60.189 49.914 33.846 1.00 37.01 C -ATOM 4976 O SER A 642 60.838 50.808 33.304 1.00 36.61 O -ATOM 4977 CB SER A 642 59.989 47.554 33.155 1.00 38.04 C -ATOM 4978 OG SER A 642 61.392 47.587 32.922 1.00 39.87 O -ATOM 4979 N ASP A 643 60.123 49.752 35.160 1.00 39.11 N -ATOM 4980 CA ASP A 643 60.850 50.599 36.110 1.00 40.62 C -ATOM 4981 C ASP A 643 62.240 50.080 36.433 1.00 40.18 C -ATOM 4982 O ASP A 643 62.873 50.569 37.362 1.00 41.01 O -ATOM 4983 CB ASP A 643 60.071 50.715 37.425 1.00 41.38 C -ATOM 4984 CG ASP A 643 58.991 51.751 37.363 1.00 42.14 C -ATOM 4985 OD1 ASP A 643 59.322 52.948 37.357 1.00 44.88 O -ATOM 4986 OD2 ASP A 643 57.808 51.380 37.300 1.00 45.47 O -ATOM 4987 N ARG A 644 62.684 49.054 35.720 1.00 39.40 N -ATOM 4988 CA ARG A 644 63.998 48.494 35.981 1.00 38.19 C -ATOM 4989 C ARG A 644 65.151 49.241 35.274 1.00 36.62 C -ATOM 4990 O ARG A 644 66.147 49.606 35.913 1.00 35.67 O -ATOM 4991 CB ARG A 644 63.973 46.987 35.736 1.00 38.48 C -ATOM 4992 CG ARG A 644 63.175 46.247 36.813 1.00 38.21 C -ATOM 4993 CD ARG A 644 63.101 44.756 36.553 1.00 41.39 C -ATOM 4994 NE ARG A 644 62.998 43.966 37.786 1.00 43.97 N -ATOM 4995 CZ ARG A 644 63.905 43.065 38.184 1.00 44.56 C -ATOM 4996 NH1 ARG A 644 64.997 42.835 37.452 1.00 43.04 N -ATOM 4997 NH2 ARG A 644 63.710 42.370 39.304 1.00 43.68 N -ATOM 4998 N PRO A 645 65.039 49.483 33.957 1.00 34.58 N -ATOM 4999 CA PRO A 645 66.142 50.207 33.331 1.00 33.90 C -ATOM 5000 C PRO A 645 66.172 51.617 33.911 1.00 33.94 C -ATOM 5001 O PRO A 645 65.132 52.181 34.252 1.00 35.04 O -ATOM 5002 CB PRO A 645 65.767 50.200 31.845 1.00 32.74 C -ATOM 5003 CG PRO A 645 64.315 50.127 31.864 1.00 33.97 C -ATOM 5004 CD PRO A 645 64.027 49.124 32.956 1.00 34.62 C -ATOM 5005 N ASN A 646 67.372 52.160 34.054 1.00 33.66 N -ATOM 5006 CA ASN A 646 67.585 53.481 34.605 1.00 32.35 C -ATOM 5007 C ASN A 646 67.208 54.509 33.562 1.00 32.96 C -ATOM 5008 O ASN A 646 67.709 54.480 32.432 1.00 32.85 O -ATOM 5009 CB ASN A 646 69.051 53.648 34.939 1.00 32.71 C -ATOM 5010 CG ASN A 646 69.914 53.558 33.710 1.00 34.42 C -ATOM 5011 OD1 ASN A 646 69.942 52.524 33.051 1.00 36.03 O -ATOM 5012 ND2 ASN A 646 70.548 54.663 33.338 1.00 32.78 N -ATOM 5013 N LYS A 647 66.356 55.443 33.971 1.00 33.98 N -ATOM 5014 CA LYS A 647 65.866 56.514 33.115 1.00 34.07 C -ATOM 5015 C LYS A 647 67.054 57.140 32.458 1.00 31.86 C -ATOM 5016 O LYS A 647 67.961 57.564 33.144 1.00 32.14 O -ATOM 5017 CB LYS A 647 65.124 57.547 33.968 1.00 37.74 C -ATOM 5018 CG LYS A 647 64.252 58.564 33.197 1.00 40.33 C -ATOM 5019 CD LYS A 647 63.075 59.020 34.067 1.00 40.85 C -ATOM 5020 CE LYS A 647 62.222 60.037 33.346 1.00 42.76 C -ATOM 5021 NZ LYS A 647 60.891 60.309 34.004 1.00 41.95 N -ATOM 5022 N GLY A 648 67.080 57.114 31.130 1.00 31.19 N -ATOM 5023 CA GLY A 648 68.199 57.684 30.397 1.00 30.20 C -ATOM 5024 C GLY A 648 68.933 56.661 29.550 1.00 30.33 C -ATOM 5025 O GLY A 648 69.557 57.009 28.546 1.00 30.62 O -ATOM 5026 N ALA A 649 68.860 55.392 29.949 1.00 30.49 N -ATOM 5027 CA ALA A 649 69.514 54.321 29.214 1.00 28.91 C -ATOM 5028 C ALA A 649 68.522 53.237 28.852 1.00 28.72 C -ATOM 5029 O ALA A 649 67.455 53.129 29.461 1.00 29.40 O -ATOM 5030 CB ALA A 649 70.623 53.724 30.040 1.00 30.17 C -ATOM 5031 N ILE A 650 68.859 52.472 27.823 1.00 27.51 N -ATOM 5032 CA ILE A 650 68.043 51.354 27.383 1.00 27.09 C -ATOM 5033 C ILE A 650 68.972 50.134 27.440 1.00 27.45 C -ATOM 5034 O ILE A 650 70.190 50.285 27.658 1.00 28.36 O -ATOM 5035 CB ILE A 650 67.465 51.547 25.955 1.00 26.06 C -ATOM 5036 CG1 ILE A 650 68.562 51.616 24.913 1.00 24.58 C -ATOM 5037 CG2 ILE A 650 66.617 52.800 25.894 1.00 28.18 C -ATOM 5038 CD1 ILE A 650 68.010 51.678 23.514 1.00 24.48 C -ATOM 5039 N TYR A 651 68.413 48.935 27.296 1.00 25.48 N -ATOM 5040 CA TYR A 651 69.207 47.717 27.362 1.00 23.36 C -ATOM 5041 C TYR A 651 68.794 46.723 26.309 1.00 23.65 C -ATOM 5042 O TYR A 651 67.605 46.550 26.043 1.00 24.30 O -ATOM 5043 CB TYR A 651 69.133 47.099 28.760 1.00 20.61 C -ATOM 5044 CG TYR A 651 69.775 47.990 29.786 1.00 19.76 C -ATOM 5045 CD1 TYR A 651 69.063 49.046 30.359 1.00 18.41 C -ATOM 5046 CD2 TYR A 651 71.130 47.857 30.103 1.00 19.87 C -ATOM 5047 CE1 TYR A 651 69.679 49.953 31.210 1.00 18.69 C -ATOM 5048 CE2 TYR A 651 71.762 48.767 30.959 1.00 19.22 C -ATOM 5049 CZ TYR A 651 71.028 49.815 31.505 1.00 19.89 C -ATOM 5050 OH TYR A 651 71.641 50.740 32.323 1.00 20.31 O -ATOM 5051 N MET A 652 69.788 46.100 25.687 1.00 23.67 N -ATOM 5052 CA MET A 652 69.557 45.120 24.639 1.00 24.22 C -ATOM 5053 C MET A 652 70.613 44.026 24.752 1.00 25.45 C -ATOM 5054 O MET A 652 71.661 44.247 25.356 1.00 25.35 O -ATOM 5055 CB MET A 652 69.635 45.807 23.286 1.00 23.75 C -ATOM 5056 CG MET A 652 68.447 46.684 23.002 1.00 21.47 C -ATOM 5057 SD MET A 652 68.792 47.668 21.587 1.00 23.63 S -ATOM 5058 CE MET A 652 68.364 46.574 20.229 1.00 18.18 C -ATOM 5059 N THR A 653 70.348 42.853 24.188 1.00 25.71 N -ATOM 5060 CA THR A 653 71.299 41.752 24.275 1.00 27.07 C -ATOM 5061 C THR A 653 71.843 41.387 22.897 1.00 28.60 C -ATOM 5062 O THR A 653 71.362 41.899 21.882 1.00 29.59 O -ATOM 5063 CB THR A 653 70.636 40.524 24.896 1.00 27.34 C -ATOM 5064 OG1 THR A 653 69.528 40.127 24.086 1.00 28.51 O -ATOM 5065 CG2 THR A 653 70.101 40.856 26.275 1.00 27.94 C -ATOM 5066 N TYR A 654 72.807 40.472 22.848 1.00 29.18 N -ATOM 5067 CA TYR A 654 73.398 40.066 21.570 1.00 29.40 C -ATOM 5068 C TYR A 654 72.996 38.645 21.134 1.00 30.18 C -ATOM 5069 O TYR A 654 73.582 38.077 20.209 1.00 30.31 O -ATOM 5070 CB TYR A 654 74.930 40.224 21.609 1.00 27.21 C -ATOM 5071 CG TYR A 654 75.609 39.274 22.561 1.00 26.68 C -ATOM 5072 CD1 TYR A 654 75.249 39.231 23.916 1.00 25.83 C -ATOM 5073 CD2 TYR A 654 76.532 38.333 22.091 1.00 25.07 C -ATOM 5074 CE1 TYR A 654 75.779 38.261 24.767 1.00 24.83 C -ATOM 5075 CE2 TYR A 654 77.064 37.364 22.934 1.00 22.66 C -ATOM 5076 CZ TYR A 654 76.682 37.333 24.261 1.00 24.33 C -ATOM 5077 OH TYR A 654 77.178 36.360 25.084 1.00 25.78 O -ATOM 5078 N GLN A 655 71.964 38.095 21.765 1.00 30.85 N -ATOM 5079 CA GLN A 655 71.508 36.744 21.433 1.00 32.61 C -ATOM 5080 C GLN A 655 70.536 36.684 20.246 1.00 33.46 C -ATOM 5081 O GLN A 655 70.173 35.598 19.788 1.00 33.56 O -ATOM 5082 CB GLN A 655 70.844 36.094 22.656 1.00 32.28 C -ATOM 5083 CG GLN A 655 71.750 35.972 23.879 1.00 32.91 C -ATOM 5084 CD GLN A 655 71.166 36.649 25.106 1.00 34.03 C -ATOM 5085 OE1 GLN A 655 71.739 37.592 25.637 1.00 34.51 O -ATOM 5086 NE2 GLN A 655 70.003 36.197 25.537 1.00 33.94 N -ATOM 5087 N TRP A 656 70.163 37.844 19.708 1.00 33.59 N -ATOM 5088 CA TRP A 656 69.185 37.888 18.621 1.00 31.96 C -ATOM 5089 C TRP A 656 69.707 38.134 17.213 1.00 30.95 C -ATOM 5090 O TRP A 656 70.474 39.062 16.975 1.00 31.13 O -ATOM 5091 CB TRP A 656 68.080 38.862 18.997 1.00 30.49 C -ATOM 5092 CG TRP A 656 67.532 38.490 20.321 1.00 28.34 C -ATOM 5093 CD1 TRP A 656 67.805 39.085 21.516 1.00 28.53 C -ATOM 5094 CD2 TRP A 656 66.740 37.346 20.614 1.00 27.82 C -ATOM 5095 NE1 TRP A 656 67.248 38.370 22.543 1.00 26.34 N -ATOM 5096 CE2 TRP A 656 66.585 37.293 22.017 1.00 28.09 C -ATOM 5097 CE3 TRP A 656 66.145 36.351 19.830 1.00 26.81 C -ATOM 5098 CZ2 TRP A 656 65.861 36.281 22.649 1.00 27.51 C -ATOM 5099 CZ3 TRP A 656 65.433 35.354 20.456 1.00 25.70 C -ATOM 5100 CH2 TRP A 656 65.295 35.323 21.852 1.00 26.75 C -ATOM 5101 N TRP A 657 69.258 37.292 16.285 1.00 29.61 N -ATOM 5102 CA TRP A 657 69.695 37.365 14.900 1.00 27.54 C -ATOM 5103 C TRP A 657 69.025 38.467 14.129 1.00 27.43 C -ATOM 5104 O TRP A 657 69.669 39.109 13.286 1.00 27.61 O -ATOM 5105 CB TRP A 657 69.528 36.011 14.206 1.00 25.81 C -ATOM 5106 CG TRP A 657 70.405 34.952 14.808 1.00 24.77 C -ATOM 5107 CD1 TRP A 657 71.155 35.069 15.939 1.00 24.80 C -ATOM 5108 CD2 TRP A 657 70.598 33.610 14.343 1.00 26.06 C -ATOM 5109 NE1 TRP A 657 71.793 33.892 16.218 1.00 25.70 N -ATOM 5110 CE2 TRP A 657 71.473 32.971 15.253 1.00 26.91 C -ATOM 5111 CE3 TRP A 657 70.121 32.876 13.243 1.00 25.41 C -ATOM 5112 CZ2 TRP A 657 71.879 31.633 15.108 1.00 27.42 C -ATOM 5113 CZ3 TRP A 657 70.529 31.543 13.098 1.00 24.94 C -ATOM 5114 CH2 TRP A 657 71.396 30.940 14.025 1.00 25.23 C -ATOM 5115 N ILE A 658 67.750 38.723 14.447 1.00 26.99 N -ATOM 5116 CA ILE A 658 66.985 39.783 13.776 1.00 24.25 C -ATOM 5117 C ILE A 658 67.303 41.153 14.308 1.00 22.49 C -ATOM 5118 O ILE A 658 67.705 42.030 13.575 1.00 23.25 O -ATOM 5119 CB ILE A 658 65.486 39.537 13.827 1.00 23.71 C -ATOM 5120 CG1 ILE A 658 65.165 38.315 12.973 1.00 23.90 C -ATOM 5121 CG2 ILE A 658 64.722 40.750 13.321 1.00 24.11 C -ATOM 5122 CD1 ILE A 658 65.965 38.244 11.681 1.00 22.88 C -ATOM 5123 N GLY A 659 67.116 41.363 15.588 1.00 22.90 N -ATOM 5124 CA GLY A 659 67.445 42.671 16.114 1.00 24.94 C -ATOM 5125 C GLY A 659 68.843 42.574 16.665 1.00 24.66 C -ATOM 5126 O GLY A 659 69.018 42.668 17.879 1.00 25.34 O -ATOM 5127 N ALA A 660 69.828 42.371 15.790 1.00 24.72 N -ATOM 5128 CA ALA A 660 71.212 42.214 16.227 1.00 26.10 C -ATOM 5129 C ALA A 660 71.811 43.511 16.767 1.00 27.95 C -ATOM 5130 O ALA A 660 72.316 44.344 15.997 1.00 25.78 O -ATOM 5131 CB ALA A 660 72.078 41.634 15.101 1.00 24.35 C -ATOM 5132 N CYS A 661 71.816 43.637 18.098 1.00 29.28 N -ATOM 5133 CA CYS A 661 72.328 44.828 18.754 1.00 31.74 C -ATOM 5134 C CYS A 661 73.734 45.164 18.279 1.00 34.03 C -ATOM 5135 O CYS A 661 74.056 46.337 18.066 1.00 35.55 O -ATOM 5136 CB CYS A 661 72.292 44.670 20.275 1.00 31.45 C -ATOM 5137 SG CYS A 661 73.631 43.692 20.983 1.00 31.20 S -ATOM 5138 N ASN A 662 74.545 44.133 18.039 1.00 35.98 N -ATOM 5139 CA ASN A 662 75.928 44.312 17.576 1.00 36.68 C -ATOM 5140 C ASN A 662 76.029 44.996 16.217 1.00 36.84 C -ATOM 5141 O ASN A 662 77.118 45.326 15.746 1.00 36.91 O -ATOM 5142 CB ASN A 662 76.662 42.978 17.560 1.00 36.72 C -ATOM 5143 CG ASN A 662 77.190 42.609 18.921 1.00 37.62 C -ATOM 5144 OD1 ASN A 662 77.714 43.462 19.625 1.00 38.45 O -ATOM 5145 ND2 ASN A 662 77.030 41.347 19.320 1.00 37.75 N -ATOM 5146 N GLU A 663 74.875 45.181 15.588 1.00 36.32 N -ATOM 5147 CA GLU A 663 74.774 45.846 14.299 1.00 35.91 C -ATOM 5148 C GLU A 663 75.074 47.319 14.521 1.00 34.60 C -ATOM 5149 O GLU A 663 75.645 47.985 13.667 1.00 33.79 O -ATOM 5150 CB GLU A 663 73.332 45.741 13.771 1.00 36.28 C -ATOM 5151 CG GLU A 663 73.159 44.904 12.520 1.00 35.65 C -ATOM 5152 CD GLU A 663 74.091 45.332 11.394 1.00 35.61 C -ATOM 5153 OE1 GLU A 663 74.373 46.553 11.243 1.00 34.67 O -ATOM 5154 OE2 GLU A 663 74.535 44.426 10.663 1.00 32.89 O -ATOM 5155 N LEU A 664 74.686 47.793 15.699 1.00 33.62 N -ATOM 5156 CA LEU A 664 74.815 49.180 16.079 1.00 32.71 C -ATOM 5157 C LEU A 664 76.033 49.523 16.890 1.00 34.15 C -ATOM 5158 O LEU A 664 76.358 50.703 17.029 1.00 35.43 O -ATOM 5159 CB LEU A 664 73.616 49.593 16.931 1.00 30.52 C -ATOM 5160 CG LEU A 664 72.165 49.286 16.587 1.00 26.93 C -ATOM 5161 CD1 LEU A 664 71.339 50.409 17.172 1.00 25.58 C -ATOM 5162 CD2 LEU A 664 71.953 49.224 15.107 1.00 25.83 C -ATOM 5163 N VAL A 665 76.659 48.533 17.513 1.00 34.83 N -ATOM 5164 CA VAL A 665 77.804 48.856 18.354 1.00 34.43 C -ATOM 5165 C VAL A 665 79.104 49.102 17.586 1.00 34.76 C -ATOM 5166 O VAL A 665 79.427 48.385 16.640 1.00 33.13 O -ATOM 5167 CB VAL A 665 77.976 47.836 19.547 1.00 33.47 C -ATOM 5168 CG1 VAL A 665 79.017 48.334 20.548 1.00 30.61 C -ATOM 5169 CG2 VAL A 665 76.645 47.636 20.277 1.00 31.05 C -ATOM 5170 N THR A 666 79.751 50.218 17.928 1.00 36.16 N -ATOM 5171 CA THR A 666 81.032 50.629 17.351 1.00 36.93 C -ATOM 5172 C THR A 666 82.096 49.963 18.197 1.00 37.81 C -ATOM 5173 O THR A 666 82.053 50.061 19.430 1.00 39.00 O -ATOM 5174 CB THR A 666 81.293 52.147 17.528 1.00 36.55 C -ATOM 5175 OG1 THR A 666 80.373 52.919 16.741 1.00 36.16 O -ATOM 5176 CG2 THR A 666 82.723 52.477 17.129 1.00 35.61 C -ATOM 5177 N GLU A 667 83.065 49.321 17.561 1.00 37.88 N -ATOM 5178 CA GLU A 667 84.119 48.680 18.326 1.00 38.29 C -ATOM 5179 C GLU A 667 85.092 49.727 18.851 1.00 38.24 C -ATOM 5180 O GLU A 667 85.803 50.385 18.094 1.00 39.36 O -ATOM 5181 CB GLU A 667 84.848 47.624 17.495 1.00 39.22 C -ATOM 5182 CG GLU A 667 85.226 48.056 16.081 1.00 40.64 C -ATOM 5183 CD GLU A 667 86.081 47.024 15.379 1.00 41.61 C -ATOM 5184 OE1 GLU A 667 85.520 46.114 14.719 1.00 42.27 O -ATOM 5185 OE2 GLU A 667 87.321 47.117 15.511 1.00 43.22 O -ATOM 5186 N ASN A 668 85.062 49.947 20.151 1.00 37.82 N -ATOM 5187 CA ASN A 668 85.963 50.916 20.745 1.00 37.37 C -ATOM 5188 C ASN A 668 86.914 50.034 21.498 1.00 37.51 C -ATOM 5189 O ASN A 668 86.847 49.930 22.729 1.00 39.11 O -ATOM 5190 CB ASN A 668 85.210 51.867 21.678 1.00 37.68 C -ATOM 5191 CG ASN A 668 84.198 52.727 20.932 1.00 37.79 C -ATOM 5192 OD1 ASN A 668 84.460 53.186 19.825 1.00 38.86 O -ATOM 5193 ND2 ASN A 668 83.032 52.919 21.522 1.00 37.41 N -ATOM 5194 N LEU A 669 87.688 49.281 20.716 1.00 36.21 N -ATOM 5195 CA LEU A 669 88.670 48.343 21.233 1.00 34.94 C -ATOM 5196 C LEU A 669 89.566 49.045 22.215 1.00 34.79 C -ATOM 5197 O LEU A 669 90.184 50.058 21.900 1.00 35.33 O -ATOM 5198 CB LEU A 669 89.511 47.749 20.103 1.00 33.36 C -ATOM 5199 CG LEU A 669 88.732 47.104 18.961 1.00 31.88 C -ATOM 5200 CD1 LEU A 669 89.708 46.505 17.991 1.00 31.42 C -ATOM 5201 CD2 LEU A 669 87.780 46.054 19.495 1.00 31.59 C -ATOM 5202 N SER A 670 89.581 48.533 23.431 1.00 35.92 N -ATOM 5203 CA SER A 670 90.405 49.106 24.467 1.00 36.99 C -ATOM 5204 C SER A 670 91.853 49.067 23.985 1.00 37.69 C -ATOM 5205 O SER A 670 92.309 48.082 23.401 1.00 37.55 O -ATOM 5206 CB SER A 670 90.208 48.338 25.786 1.00 37.12 C -ATOM 5207 OG SER A 670 90.029 46.942 25.577 1.00 36.39 O -ATOM 5208 N PRO A 671 92.583 50.161 24.187 1.00 38.14 N -ATOM 5209 CA PRO A 671 93.979 50.203 23.752 1.00 38.37 C -ATOM 5210 C PRO A 671 94.840 49.093 24.337 1.00 38.19 C -ATOM 5211 O PRO A 671 95.823 48.685 23.717 1.00 39.28 O -ATOM 5212 CB PRO A 671 94.447 51.585 24.231 1.00 38.44 C -ATOM 5213 CG PRO A 671 93.543 51.880 25.407 1.00 39.43 C -ATOM 5214 CD PRO A 671 92.204 51.395 24.894 1.00 38.47 C -ATOM 5215 N ILE A 672 94.453 48.565 25.496 1.00 37.67 N -ATOM 5216 CA ILE A 672 95.276 47.535 26.131 1.00 37.49 C -ATOM 5217 C ILE A 672 95.057 46.063 25.749 1.00 36.67 C -ATOM 5218 O ILE A 672 95.997 45.390 25.326 1.00 35.87 O -ATOM 5219 CB ILE A 672 95.305 47.708 27.665 1.00 36.97 C -ATOM 5220 CG1 ILE A 672 95.648 49.163 28.015 1.00 34.94 C -ATOM 5221 CG2 ILE A 672 96.362 46.784 28.261 1.00 37.01 C -ATOM 5222 CD1 ILE A 672 95.897 49.404 29.472 1.00 33.87 C -ATOM 5223 N THR A 673 93.839 45.557 25.939 1.00 36.51 N -ATOM 5224 CA THR A 673 93.511 44.164 25.605 1.00 34.14 C -ATOM 5225 C THR A 673 92.760 44.044 24.298 1.00 33.94 C -ATOM 5226 O THR A 673 92.437 42.947 23.873 1.00 34.40 O -ATOM 5227 CB THR A 673 92.617 43.541 26.656 1.00 32.41 C -ATOM 5228 OG1 THR A 673 91.503 44.409 26.893 1.00 30.73 O -ATOM 5229 CG2 THR A 673 93.380 43.333 27.926 1.00 32.49 C -ATOM 5230 N LYS A 674 92.476 45.175 23.668 1.00 34.47 N -ATOM 5231 CA LYS A 674 91.737 45.186 22.423 1.00 34.52 C -ATOM 5232 C LYS A 674 90.371 44.585 22.675 1.00 35.37 C -ATOM 5233 O LYS A 674 90.019 43.545 22.099 1.00 36.38 O -ATOM 5234 CB LYS A 674 92.485 44.397 21.355 1.00 34.53 C -ATOM 5235 CG LYS A 674 93.194 45.278 20.364 1.00 34.22 C -ATOM 5236 CD LYS A 674 94.133 46.214 21.053 1.00 34.85 C -ATOM 5237 CE LYS A 674 94.112 47.533 20.348 1.00 36.35 C -ATOM 5238 NZ LYS A 674 94.289 47.332 18.874 1.00 39.98 N -ATOM 5239 N THR A 675 89.608 45.249 23.539 1.00 34.83 N -ATOM 5240 CA THR A 675 88.272 44.796 23.904 1.00 34.26 C -ATOM 5241 C THR A 675 87.211 45.850 23.605 1.00 34.54 C -ATOM 5242 O THR A 675 87.349 47.023 23.966 1.00 34.10 O -ATOM 5243 CB THR A 675 88.202 44.435 25.389 1.00 33.76 C -ATOM 5244 OG1 THR A 675 89.302 43.580 25.722 1.00 34.95 O -ATOM 5245 CG2 THR A 675 86.901 43.722 25.703 1.00 33.59 C -ATOM 5246 N PRO A 676 86.170 45.460 22.865 1.00 35.13 N -ATOM 5247 CA PRO A 676 85.065 46.349 22.494 1.00 35.19 C -ATOM 5248 C PRO A 676 84.239 46.894 23.672 1.00 34.80 C -ATOM 5249 O PRO A 676 84.010 46.195 24.669 1.00 31.65 O -ATOM 5250 CB PRO A 676 84.233 45.480 21.550 1.00 35.26 C -ATOM 5251 CG PRO A 676 84.647 44.078 21.908 1.00 34.86 C -ATOM 5252 CD PRO A 676 86.090 44.191 22.126 1.00 34.66 C -ATOM 5253 N GLU A 677 83.794 48.150 23.529 1.00 35.21 N -ATOM 5254 CA GLU A 677 82.993 48.835 24.551 1.00 35.06 C -ATOM 5255 C GLU A 677 81.489 48.586 24.368 1.00 34.67 C -ATOM 5256 O GLU A 677 80.673 49.521 24.297 1.00 33.75 O -ATOM 5257 CB GLU A 677 83.301 50.344 24.576 1.00 35.27 C -ATOM 5258 CG GLU A 677 82.781 51.038 25.841 1.00 34.49 C -ATOM 5259 CD GLU A 677 83.307 52.440 26.013 1.00 34.12 C -ATOM 5260 OE1 GLU A 677 82.988 53.277 25.147 1.00 35.83 O -ATOM 5261 OE2 GLU A 677 84.011 52.718 27.018 1.00 32.51 O -ATOM 5262 N TYR A 678 81.147 47.300 24.361 1.00 33.87 N -ATOM 5263 CA TYR A 678 79.787 46.815 24.192 1.00 32.54 C -ATOM 5264 C TYR A 678 78.767 47.402 25.182 1.00 33.08 C -ATOM 5265 O TYR A 678 77.565 47.302 24.943 1.00 32.93 O -ATOM 5266 CB TYR A 678 79.767 45.296 24.367 1.00 31.33 C -ATOM 5267 CG TYR A 678 80.519 44.441 23.354 1.00 29.91 C -ATOM 5268 CD1 TYR A 678 80.068 44.306 22.029 1.00 28.72 C -ATOM 5269 CD2 TYR A 678 81.571 43.629 23.773 1.00 28.98 C -ATOM 5270 CE1 TYR A 678 80.630 43.373 21.162 1.00 27.83 C -ATOM 5271 CE2 TYR A 678 82.141 42.691 22.926 1.00 29.08 C -ATOM 5272 CZ TYR A 678 81.669 42.553 21.620 1.00 29.78 C -ATOM 5273 OH TYR A 678 82.208 41.549 20.827 1.00 27.11 O -ATOM 5274 N LYS A 679 79.232 47.990 26.286 1.00 33.33 N -ATOM 5275 CA LYS A 679 78.338 48.541 27.315 1.00 34.12 C -ATOM 5276 C LYS A 679 77.892 50.001 27.186 1.00 34.98 C -ATOM 5277 O LYS A 679 77.162 50.507 28.048 1.00 35.37 O -ATOM 5278 CB LYS A 679 78.948 48.348 28.712 1.00 34.32 C -ATOM 5279 CG LYS A 679 78.949 46.918 29.239 1.00 33.60 C -ATOM 5280 CD LYS A 679 77.603 46.527 29.798 1.00 33.47 C -ATOM 5281 CE LYS A 679 77.577 45.052 30.171 1.00 33.04 C -ATOM 5282 NZ LYS A 679 77.866 44.178 29.002 1.00 32.84 N -ATOM 5283 N TYR A 680 78.325 50.691 26.140 1.00 35.76 N -ATOM 5284 CA TYR A 680 77.942 52.087 25.974 1.00 35.16 C -ATOM 5285 C TYR A 680 77.836 52.388 24.490 1.00 35.33 C -ATOM 5286 O TYR A 680 78.831 52.353 23.763 1.00 35.12 O -ATOM 5287 CB TYR A 680 78.986 53.002 26.638 1.00 34.23 C -ATOM 5288 CG TYR A 680 78.462 54.360 27.070 1.00 34.99 C -ATOM 5289 CD1 TYR A 680 78.290 55.402 26.149 1.00 34.53 C -ATOM 5290 CD2 TYR A 680 78.126 54.605 28.410 1.00 35.71 C -ATOM 5291 CE1 TYR A 680 77.794 56.645 26.552 1.00 34.14 C -ATOM 5292 CE2 TYR A 680 77.632 55.842 28.825 1.00 33.78 C -ATOM 5293 CZ TYR A 680 77.465 56.852 27.890 1.00 35.25 C -ATOM 5294 OH TYR A 680 76.931 58.058 28.294 1.00 38.23 O -ATOM 5295 N CYS A 681 76.618 52.613 24.020 1.00 34.88 N -ATOM 5296 CA CYS A 681 76.419 52.939 22.620 1.00 34.47 C -ATOM 5297 C CYS A 681 75.308 53.967 22.473 1.00 33.49 C -ATOM 5298 O CYS A 681 74.162 53.698 22.819 1.00 34.37 O -ATOM 5299 CB CYS A 681 76.104 51.691 21.812 1.00 33.92 C -ATOM 5300 SG CYS A 681 75.702 52.052 20.082 1.00 35.78 S -ATOM 5301 N ALA A 682 75.671 55.164 22.019 1.00 32.62 N -ATOM 5302 CA ALA A 682 74.735 56.268 21.825 1.00 30.98 C -ATOM 5303 C ALA A 682 73.727 55.887 20.752 1.00 30.38 C -ATOM 5304 O ALA A 682 74.097 55.676 19.588 1.00 31.34 O -ATOM 5305 CB ALA A 682 75.496 57.525 21.417 1.00 30.26 C -ATOM 5306 N VAL A 683 72.471 55.719 21.163 1.00 28.73 N -ATOM 5307 CA VAL A 683 71.409 55.327 20.244 1.00 28.24 C -ATOM 5308 C VAL A 683 70.201 56.211 20.452 1.00 29.74 C -ATOM 5309 O VAL A 683 70.055 56.868 21.493 1.00 29.42 O -ATOM 5310 CB VAL A 683 70.926 53.853 20.429 1.00 25.00 C -ATOM 5311 CG1 VAL A 683 72.051 52.880 20.282 1.00 22.74 C -ATOM 5312 CG2 VAL A 683 70.230 53.697 21.757 1.00 22.82 C -ATOM 5313 N ARG A 684 69.269 56.076 19.515 1.00 30.88 N -ATOM 5314 CA ARG A 684 68.049 56.845 19.498 1.00 32.25 C -ATOM 5315 C ARG A 684 66.860 55.927 19.228 1.00 33.40 C -ATOM 5316 O ARG A 684 66.742 55.336 18.132 1.00 33.53 O -ATOM 5317 CB ARG A 684 68.198 57.825 18.385 1.00 32.93 C -ATOM 5318 CG ARG A 684 67.002 58.592 18.018 1.00 37.77 C -ATOM 5319 CD ARG A 684 67.401 59.148 16.718 1.00 41.78 C -ATOM 5320 NE ARG A 684 66.604 60.279 16.310 1.00 45.62 N -ATOM 5321 CZ ARG A 684 66.391 60.555 15.036 1.00 49.41 C -ATOM 5322 NH1 ARG A 684 66.925 59.756 14.113 1.00 48.61 N -ATOM 5323 NH2 ARG A 684 65.670 61.638 14.706 1.00 52.02 N -ATOM 5324 N VAL A 685 65.979 55.804 20.219 1.00 34.27 N -ATOM 5325 CA VAL A 685 64.814 54.931 20.092 1.00 35.40 C -ATOM 5326 C VAL A 685 63.716 55.700 19.369 1.00 36.42 C -ATOM 5327 O VAL A 685 63.432 56.851 19.700 1.00 37.98 O -ATOM 5328 CB VAL A 685 64.284 54.475 21.457 1.00 35.58 C -ATOM 5329 CG1 VAL A 685 63.414 53.232 21.283 1.00 33.46 C -ATOM 5330 CG2 VAL A 685 65.431 54.220 22.429 1.00 34.55 C -ATOM 5331 N GLU A 686 63.050 55.041 18.428 1.00 36.64 N -ATOM 5332 CA GLU A 686 61.998 55.705 17.680 1.00 36.10 C -ATOM 5333 C GLU A 686 60.782 54.818 17.582 1.00 34.75 C -ATOM 5334 O GLU A 686 60.906 53.650 17.241 1.00 35.34 O -ATOM 5335 CB GLU A 686 62.516 56.030 16.311 1.00 36.43 C -ATOM 5336 CG GLU A 686 63.853 56.686 16.385 1.00 39.35 C -ATOM 5337 CD GLU A 686 64.576 56.585 15.065 1.00 43.32 C -ATOM 5338 OE1 GLU A 686 63.921 56.132 14.089 1.00 44.86 O -ATOM 5339 OE2 GLU A 686 65.777 56.944 15.024 1.00 45.16 O -ATOM 5340 N PRO A 687 59.584 55.360 17.859 1.00 34.20 N -ATOM 5341 CA PRO A 687 58.357 54.559 17.788 1.00 33.84 C -ATOM 5342 C PRO A 687 58.004 54.110 16.375 1.00 33.94 C -ATOM 5343 O PRO A 687 58.628 54.516 15.392 1.00 34.73 O -ATOM 5344 CB PRO A 687 57.318 55.488 18.394 1.00 33.20 C -ATOM 5345 CG PRO A 687 57.794 56.822 17.958 1.00 32.79 C -ATOM 5346 CD PRO A 687 59.269 56.736 18.271 1.00 33.98 C -ATOM 5347 N ILE A 688 57.006 53.249 16.287 1.00 34.57 N -ATOM 5348 CA ILE A 688 56.549 52.718 15.011 1.00 34.95 C -ATOM 5349 C ILE A 688 55.023 52.706 15.068 1.00 36.00 C -ATOM 5350 O ILE A 688 54.443 51.967 15.879 1.00 34.49 O -ATOM 5351 CB ILE A 688 57.024 51.270 14.825 1.00 35.13 C -ATOM 5352 CG1 ILE A 688 58.549 51.214 14.724 1.00 33.66 C -ATOM 5353 CG2 ILE A 688 56.323 50.619 13.625 1.00 35.68 C -ATOM 5354 CD1 ILE A 688 59.066 49.800 14.579 1.00 35.08 C -ATOM 5355 N ALA A 689 54.389 53.516 14.215 1.00 36.63 N -ATOM 5356 CA ALA A 689 52.923 53.588 14.186 1.00 38.28 C -ATOM 5357 C ALA A 689 52.274 52.341 13.584 1.00 39.28 C -ATOM 5358 O ALA A 689 51.443 51.691 14.237 1.00 38.85 O -ATOM 5359 CB ALA A 689 52.473 54.821 13.451 1.00 38.60 C -ATOM 5360 N ASP A 690 52.642 51.990 12.350 1.00 40.22 N -ATOM 5361 CA ASP A 690 52.049 50.814 11.721 1.00 41.25 C -ATOM 5362 C ASP A 690 52.600 49.480 12.249 1.00 41.22 C -ATOM 5363 O ASP A 690 53.194 48.696 11.502 1.00 40.50 O -ATOM 5364 CB ASP A 690 52.162 50.887 10.193 1.00 42.80 C -ATOM 5365 CG ASP A 690 51.232 49.887 9.480 1.00 46.11 C -ATOM 5366 OD1 ASP A 690 50.333 49.305 10.133 1.00 46.81 O -ATOM 5367 OD2 ASP A 690 51.389 49.687 8.252 1.00 49.06 O -ATOM 5368 N GLN A 691 52.330 49.194 13.521 1.00 41.79 N -ATOM 5369 CA GLN A 691 52.794 47.959 14.157 1.00 43.11 C -ATOM 5370 C GLN A 691 52.554 46.718 13.296 1.00 44.39 C -ATOM 5371 O GLN A 691 53.484 45.978 12.993 1.00 46.07 O -ATOM 5372 CB GLN A 691 52.109 47.760 15.506 1.00 41.71 C -ATOM 5373 CG GLN A 691 52.504 48.751 16.568 1.00 42.32 C -ATOM 5374 CD GLN A 691 53.790 48.377 17.264 1.00 42.77 C -ATOM 5375 OE1 GLN A 691 54.023 47.206 17.571 1.00 41.86 O -ATOM 5376 NE2 GLN A 691 54.639 49.374 17.519 1.00 43.29 N -ATOM 5377 N ARG A 692 51.311 46.513 12.878 1.00 45.03 N -ATOM 5378 CA ARG A 692 50.944 45.357 12.070 1.00 44.43 C -ATOM 5379 C ARG A 692 51.904 45.104 10.918 1.00 42.63 C -ATOM 5380 O ARG A 692 52.250 43.959 10.647 1.00 42.60 O -ATOM 5381 CB ARG A 692 49.489 45.486 11.592 1.00 47.50 C -ATOM 5382 CG ARG A 692 48.491 45.406 12.757 1.00 51.18 C -ATOM 5383 CD ARG A 692 47.082 45.868 12.422 1.00 54.81 C -ATOM 5384 NE ARG A 692 46.291 46.049 13.651 1.00 58.88 N -ATOM 5385 CZ ARG A 692 45.067 46.585 13.711 1.00 59.36 C -ATOM 5386 NH1 ARG A 692 44.459 47.003 12.605 1.00 60.37 N -ATOM 5387 NH2 ARG A 692 44.458 46.730 14.887 1.00 58.34 N -ATOM 5388 N ALA A 693 52.404 46.172 10.304 1.00 40.71 N -ATOM 5389 CA ALA A 693 53.341 46.037 9.189 1.00 39.55 C -ATOM 5390 C ALA A 693 54.741 45.673 9.678 1.00 38.62 C -ATOM 5391 O ALA A 693 55.549 45.100 8.939 1.00 37.95 O -ATOM 5392 CB ALA A 693 53.390 47.319 8.400 1.00 39.95 C -ATOM 5393 N ALA A 694 55.032 46.077 10.911 1.00 37.44 N -ATOM 5394 CA ALA A 694 56.310 45.808 11.558 1.00 36.25 C -ATOM 5395 C ALA A 694 56.330 44.350 12.042 1.00 35.34 C -ATOM 5396 O ALA A 694 57.343 43.646 11.955 1.00 33.97 O -ATOM 5397 CB ALA A 694 56.501 46.767 12.738 1.00 35.29 C -ATOM 5398 N GLU A 695 55.179 43.898 12.511 1.00 34.59 N -ATOM 5399 CA GLU A 695 55.033 42.552 13.012 1.00 35.50 C -ATOM 5400 C GLU A 695 55.262 41.522 11.903 1.00 35.94 C -ATOM 5401 O GLU A 695 55.650 40.373 12.176 1.00 35.38 O -ATOM 5402 CB GLU A 695 53.658 42.402 13.667 1.00 35.33 C -ATOM 5403 CG GLU A 695 53.453 43.254 14.934 1.00 34.99 C -ATOM 5404 CD GLU A 695 54.083 42.643 16.186 1.00 35.67 C -ATOM 5405 OE1 GLU A 695 55.041 41.858 16.046 1.00 36.30 O -ATOM 5406 OE2 GLU A 695 53.625 42.942 17.315 1.00 35.16 O -ATOM 5407 N GLN A 696 55.028 41.937 10.657 1.00 36.72 N -ATOM 5408 CA GLN A 696 55.243 41.067 9.498 1.00 37.67 C -ATOM 5409 C GLN A 696 56.666 41.258 8.980 1.00 37.80 C -ATOM 5410 O GLN A 696 57.167 40.424 8.214 1.00 37.45 O -ATOM 5411 CB GLN A 696 54.262 41.370 8.369 1.00 38.44 C -ATOM 5412 CG GLN A 696 54.277 40.328 7.239 1.00 40.41 C -ATOM 5413 CD GLN A 696 53.510 39.043 7.570 1.00 41.67 C -ATOM 5414 OE1 GLN A 696 53.677 38.024 6.904 1.00 43.02 O -ATOM 5415 NE2 GLN A 696 52.648 39.097 8.577 1.00 42.56 N -ATOM 5416 N TYR A 697 57.293 42.371 9.371 1.00 36.50 N -ATOM 5417 CA TYR A 697 58.671 42.659 8.973 1.00 35.98 C -ATOM 5418 C TYR A 697 59.586 41.694 9.737 1.00 34.80 C -ATOM 5419 O TYR A 697 60.448 41.032 9.146 1.00 32.84 O -ATOM 5420 CB TYR A 697 59.049 44.121 9.286 1.00 36.50 C -ATOM 5421 CG TYR A 697 60.446 44.509 8.827 1.00 35.66 C -ATOM 5422 CD1 TYR A 697 60.773 44.527 7.470 1.00 35.45 C -ATOM 5423 CD2 TYR A 697 61.459 44.774 9.751 1.00 34.25 C -ATOM 5424 CE1 TYR A 697 62.079 44.783 7.048 1.00 35.46 C -ATOM 5425 CE2 TYR A 697 62.757 45.033 9.339 1.00 33.50 C -ATOM 5426 CZ TYR A 697 63.062 45.027 7.988 1.00 34.18 C -ATOM 5427 OH TYR A 697 64.359 45.202 7.576 1.00 34.81 O -ATOM 5428 N VAL A 698 59.383 41.618 11.051 1.00 33.48 N -ATOM 5429 CA VAL A 698 60.162 40.721 11.888 1.00 32.78 C -ATOM 5430 C VAL A 698 60.007 39.315 11.321 1.00 34.15 C -ATOM 5431 O VAL A 698 61.003 38.629 11.083 1.00 34.59 O -ATOM 5432 CB VAL A 698 59.676 40.739 13.347 1.00 31.83 C -ATOM 5433 CG1 VAL A 698 60.347 39.643 14.136 1.00 31.24 C -ATOM 5434 CG2 VAL A 698 59.970 42.075 13.976 1.00 31.52 C -ATOM 5435 N ILE A 699 58.761 38.911 11.064 1.00 34.57 N -ATOM 5436 CA ILE A 699 58.481 37.591 10.496 1.00 34.57 C -ATOM 5437 C ILE A 699 59.189 37.375 9.167 1.00 34.85 C -ATOM 5438 O ILE A 699 60.044 36.504 9.052 1.00 35.49 O -ATOM 5439 CB ILE A 699 56.974 37.345 10.299 1.00 34.14 C -ATOM 5440 CG1 ILE A 699 56.271 37.281 11.660 1.00 33.62 C -ATOM 5441 CG2 ILE A 699 56.746 36.062 9.503 1.00 32.17 C -ATOM 5442 CD1 ILE A 699 54.898 36.665 11.602 1.00 34.23 C -ATOM 5443 N ASP A 700 58.872 38.186 8.172 1.00 35.66 N -ATOM 5444 CA ASP A 700 59.515 38.035 6.874 1.00 38.03 C -ATOM 5445 C ASP A 700 61.038 37.993 6.976 1.00 38.88 C -ATOM 5446 O ASP A 700 61.661 37.071 6.431 1.00 39.25 O -ATOM 5447 CB ASP A 700 59.061 39.138 5.913 1.00 40.05 C -ATOM 5448 CG ASP A 700 57.581 39.059 5.600 1.00 40.49 C -ATOM 5449 OD1 ASP A 700 56.983 37.980 5.799 1.00 41.57 O -ATOM 5450 OD2 ASP A 700 57.012 40.077 5.165 1.00 40.54 O -ATOM 5451 N GLU A 701 61.615 38.953 7.713 1.00 39.42 N -ATOM 5452 CA GLU A 701 63.069 39.060 7.935 1.00 38.84 C -ATOM 5453 C GLU A 701 63.683 37.870 8.663 1.00 38.67 C -ATOM 5454 O GLU A 701 64.850 37.526 8.445 1.00 39.56 O -ATOM 5455 CB GLU A 701 63.400 40.329 8.710 1.00 39.13 C -ATOM 5456 CG GLU A 701 63.301 41.602 7.878 1.00 41.79 C -ATOM 5457 CD GLU A 701 64.265 41.615 6.699 1.00 42.40 C -ATOM 5458 OE1 GLU A 701 65.491 41.691 6.935 1.00 44.01 O -ATOM 5459 OE2 GLU A 701 63.800 41.538 5.540 1.00 41.51 O -ATOM 5460 N TYR A 702 62.906 37.258 9.547 1.00 37.91 N -ATOM 5461 CA TYR A 702 63.366 36.101 10.289 1.00 37.18 C -ATOM 5462 C TYR A 702 63.333 34.913 9.345 1.00 37.07 C -ATOM 5463 O TYR A 702 64.329 34.188 9.194 1.00 36.41 O -ATOM 5464 CB TYR A 702 62.427 35.838 11.454 1.00 37.32 C -ATOM 5465 CG TYR A 702 62.904 34.801 12.443 1.00 37.86 C -ATOM 5466 CD1 TYR A 702 64.261 34.481 12.577 1.00 37.11 C -ATOM 5467 CD2 TYR A 702 61.997 34.185 13.296 1.00 37.73 C -ATOM 5468 CE1 TYR A 702 64.682 33.578 13.546 1.00 37.67 C -ATOM 5469 CE2 TYR A 702 62.404 33.289 14.257 1.00 37.19 C -ATOM 5470 CZ TYR A 702 63.736 32.984 14.385 1.00 38.13 C -ATOM 5471 OH TYR A 702 64.096 32.076 15.356 1.00 39.69 O -ATOM 5472 N ASN A 703 62.182 34.743 8.699 1.00 35.78 N -ATOM 5473 CA ASN A 703 61.955 33.657 7.760 1.00 35.68 C -ATOM 5474 C ASN A 703 63.007 33.659 6.637 1.00 35.17 C -ATOM 5475 O ASN A 703 63.477 32.596 6.199 1.00 34.16 O -ATOM 5476 CB ASN A 703 60.525 33.745 7.191 1.00 36.53 C -ATOM 5477 CG ASN A 703 59.441 33.291 8.194 1.00 35.88 C -ATOM 5478 OD1 ASN A 703 59.351 33.789 9.317 1.00 35.35 O -ATOM 5479 ND2 ASN A 703 58.614 32.352 7.773 1.00 35.38 N -ATOM 5480 N LYS A 704 63.373 34.849 6.171 1.00 34.65 N -ATOM 5481 CA LYS A 704 64.388 34.983 5.128 1.00 34.64 C -ATOM 5482 C LYS A 704 65.692 34.370 5.634 1.00 33.82 C -ATOM 5483 O LYS A 704 66.224 33.448 5.025 1.00 33.27 O -ATOM 5484 CB LYS A 704 64.604 36.468 4.759 1.00 35.13 C -ATOM 5485 CG LYS A 704 63.478 37.060 3.933 1.00 35.70 C -ATOM 5486 CD LYS A 704 63.416 38.569 4.042 1.00 37.15 C -ATOM 5487 CE LYS A 704 62.153 39.125 3.353 1.00 38.52 C -ATOM 5488 NZ LYS A 704 61.768 40.521 3.791 1.00 38.96 N -ATOM 5489 N LEU A 705 66.166 34.851 6.782 1.00 33.04 N -ATOM 5490 CA LEU A 705 67.405 34.355 7.379 1.00 32.23 C -ATOM 5491 C LEU A 705 67.345 32.866 7.674 1.00 31.74 C -ATOM 5492 O LEU A 705 68.319 32.155 7.447 1.00 32.55 O -ATOM 5493 CB LEU A 705 67.739 35.111 8.679 1.00 31.79 C -ATOM 5494 CG LEU A 705 68.964 34.610 9.462 1.00 29.27 C -ATOM 5495 CD1 LEU A 705 70.224 35.011 8.735 1.00 29.75 C -ATOM 5496 CD2 LEU A 705 68.979 35.159 10.855 1.00 27.39 C -ATOM 5497 N LYS A 706 66.218 32.398 8.198 1.00 30.91 N -ATOM 5498 CA LYS A 706 66.085 30.987 8.526 1.00 30.42 C -ATOM 5499 C LYS A 706 66.140 30.089 7.304 1.00 29.22 C -ATOM 5500 O LYS A 706 66.798 29.055 7.339 1.00 29.81 O -ATOM 5501 CB LYS A 706 64.813 30.721 9.345 1.00 31.86 C -ATOM 5502 CG LYS A 706 64.887 31.165 10.795 1.00 32.97 C -ATOM 5503 CD LYS A 706 63.505 31.307 11.428 1.00 34.74 C -ATOM 5504 CE LYS A 706 63.092 30.059 12.187 1.00 37.61 C -ATOM 5505 NZ LYS A 706 61.954 30.293 13.133 1.00 37.46 N -ATOM 5506 N THR A 707 65.473 30.476 6.219 1.00 29.10 N -ATOM 5507 CA THR A 707 65.480 29.651 5.005 1.00 29.36 C -ATOM 5508 C THR A 707 66.842 29.748 4.360 1.00 27.99 C -ATOM 5509 O THR A 707 67.393 28.754 3.915 1.00 28.44 O -ATOM 5510 CB THR A 707 64.432 30.089 3.989 1.00 29.14 C -ATOM 5511 OG1 THR A 707 64.679 31.442 3.638 1.00 33.66 O -ATOM 5512 CG2 THR A 707 63.042 29.993 4.572 1.00 30.19 C -ATOM 5513 N ARG A 708 67.382 30.959 4.349 1.00 27.48 N -ATOM 5514 CA ARG A 708 68.704 31.245 3.806 1.00 27.89 C -ATOM 5515 C ARG A 708 69.719 30.251 4.369 1.00 28.43 C -ATOM 5516 O ARG A 708 70.322 29.456 3.626 1.00 28.51 O -ATOM 5517 CB ARG A 708 69.124 32.662 4.212 1.00 29.13 C -ATOM 5518 CG ARG A 708 70.517 33.036 3.758 1.00 30.33 C -ATOM 5519 CD ARG A 708 71.084 34.191 4.533 1.00 28.89 C -ATOM 5520 NE ARG A 708 72.501 33.943 4.789 1.00 28.37 N -ATOM 5521 CZ ARG A 708 73.149 34.419 5.839 1.00 29.08 C -ATOM 5522 NH1 ARG A 708 72.498 35.166 6.725 1.00 31.41 N -ATOM 5523 NH2 ARG A 708 74.441 34.173 5.999 1.00 28.68 N -ATOM 5524 N LEU A 709 69.904 30.330 5.689 1.00 27.67 N -ATOM 5525 CA LEU A 709 70.801 29.462 6.433 1.00 26.32 C -ATOM 5526 C LEU A 709 70.468 28.006 6.206 1.00 26.90 C -ATOM 5527 O LEU A 709 71.366 27.168 6.143 1.00 27.76 O -ATOM 5528 CB LEU A 709 70.688 29.755 7.927 1.00 24.75 C -ATOM 5529 CG LEU A 709 71.414 30.992 8.444 1.00 23.66 C -ATOM 5530 CD1 LEU A 709 71.019 31.272 9.882 1.00 20.77 C -ATOM 5531 CD2 LEU A 709 72.926 30.813 8.286 1.00 21.46 C -ATOM 5532 N ARG A 710 69.178 27.700 6.091 1.00 27.73 N -ATOM 5533 CA ARG A 710 68.725 26.326 5.882 1.00 29.33 C -ATOM 5534 C ARG A 710 69.145 25.721 4.534 1.00 29.57 C -ATOM 5535 O ARG A 710 69.599 24.578 4.450 1.00 28.16 O -ATOM 5536 CB ARG A 710 67.222 26.266 6.031 1.00 30.18 C -ATOM 5537 CG ARG A 710 66.710 24.893 6.272 1.00 32.47 C -ATOM 5538 CD ARG A 710 65.232 24.918 6.504 1.00 34.82 C -ATOM 5539 NE ARG A 710 64.676 23.632 6.124 1.00 39.98 N -ATOM 5540 CZ ARG A 710 64.459 22.633 6.967 1.00 41.35 C -ATOM 5541 NH1 ARG A 710 64.738 22.773 8.258 1.00 39.66 N -ATOM 5542 NH2 ARG A 710 64.005 21.476 6.499 1.00 44.38 N -ATOM 5543 N GLU A 711 69.011 26.508 3.483 1.00 30.70 N -ATOM 5544 CA GLU A 711 69.390 26.070 2.163 1.00 32.09 C -ATOM 5545 C GLU A 711 70.884 25.786 2.118 1.00 31.49 C -ATOM 5546 O GLU A 711 71.305 24.834 1.489 1.00 32.42 O -ATOM 5547 CB GLU A 711 68.997 27.133 1.127 1.00 34.58 C -ATOM 5548 CG GLU A 711 67.482 27.307 0.974 1.00 38.45 C -ATOM 5549 CD GLU A 711 67.079 28.457 0.053 1.00 43.25 C -ATOM 5550 OE1 GLU A 711 67.932 29.313 -0.285 1.00 46.73 O -ATOM 5551 OE2 GLU A 711 65.890 28.518 -0.332 1.00 45.23 O -ATOM 5552 N ALA A 712 71.677 26.592 2.815 1.00 31.32 N -ATOM 5553 CA ALA A 712 73.134 26.425 2.845 1.00 31.27 C -ATOM 5554 C ALA A 712 73.545 25.161 3.559 1.00 32.40 C -ATOM 5555 O ALA A 712 74.538 24.528 3.211 1.00 33.38 O -ATOM 5556 CB ALA A 712 73.780 27.603 3.530 1.00 30.73 C -ATOM 5557 N ALA A 713 72.812 24.824 4.607 1.00 33.09 N -ATOM 5558 CA ALA A 713 73.148 23.650 5.365 1.00 33.51 C -ATOM 5559 C ALA A 713 72.687 22.379 4.698 1.00 33.61 C -ATOM 5560 O ALA A 713 73.465 21.433 4.551 1.00 32.85 O -ATOM 5561 CB ALA A 713 72.576 23.750 6.760 1.00 32.47 C -ATOM 5562 N LEU A 714 71.443 22.391 4.234 1.00 35.33 N -ATOM 5563 CA LEU A 714 70.840 21.209 3.628 1.00 37.14 C -ATOM 5564 C LEU A 714 70.815 21.158 2.101 1.00 38.31 C -ATOM 5565 O LEU A 714 69.831 20.673 1.533 1.00 39.07 O -ATOM 5566 CB LEU A 714 69.412 21.013 4.186 1.00 36.51 C -ATOM 5567 CG LEU A 714 69.132 21.197 5.699 1.00 36.88 C -ATOM 5568 CD1 LEU A 714 67.673 20.831 5.999 1.00 37.67 C -ATOM 5569 CD2 LEU A 714 70.053 20.351 6.569 1.00 35.44 C -ATOM 5570 N ALA A 715 71.907 21.565 1.445 1.00 39.95 N -ATOM 5571 CA ALA A 715 71.994 21.543 -0.020 1.00 41.84 C -ATOM 5572 C ALA A 715 73.346 20.992 -0.510 1.00 43.09 C -ATOM 5573 O ALA A 715 73.399 20.392 -1.624 1.00 42.95 O -ATOM 5574 CB ALA A 715 71.762 22.950 -0.589 1.00 40.98 C -ATOM 5575 OXT ALA A 715 74.332 21.146 0.246 1.00 44.19 O -TER 5576 ALA A 715 -HETATM 5577 FE1 SF4 A 800 72.707 27.217 34.534 1.00 11.23 FE -HETATM 5578 FE2 SF4 A 800 74.494 25.674 33.185 1.00 14.16 FE -HETATM 5579 FE3 SF4 A 800 74.740 25.762 35.860 1.00 12.89 FE -HETATM 5580 FE4 SF4 A 800 75.077 27.921 34.299 1.00 13.29 FE -HETATM 5581 S1 SF4 A 800 76.400 26.011 34.379 1.00 14.35 S -HETATM 5582 S2 SF4 A 800 73.999 27.980 36.255 1.00 13.87 S -HETATM 5583 S3 SF4 A 800 73.679 27.650 32.472 1.00 14.58 S -HETATM 5584 S4 SF4 A 800 72.941 24.932 34.687 1.00 14.86 S -HETATM 5585 PB MGD A 801 79.057 31.483 21.133 1.00 21.59 P -HETATM 5586 O1B MGD A 801 77.921 32.301 20.718 1.00 21.03 O -HETATM 5587 O2B MGD A 801 78.885 30.532 22.269 1.00 22.72 O -HETATM 5588 O3B MGD A 801 80.167 32.586 21.396 1.00 23.23 O -HETATM 5589 O3A MGD A 801 80.794 35.057 21.501 1.00 25.18 O -HETATM 5590 PA MGD A 801 80.486 33.857 20.483 1.00 24.97 P -HETATM 5591 O1A MGD A 801 81.715 33.611 19.686 1.00 26.53 O -HETATM 5592 O2A MGD A 801 79.280 34.152 19.732 1.00 26.68 O -HETATM 5593 O5' MGD A 801 79.648 30.698 19.862 1.00 18.92 O -HETATM 5594 C5' MGD A 801 79.940 29.302 19.954 1.00 16.40 C -HETATM 5595 C4' MGD A 801 79.979 28.727 18.548 1.00 17.67 C -HETATM 5596 O4' MGD A 801 80.630 27.467 18.576 1.00 18.71 O -HETATM 5597 C3' MGD A 801 78.574 28.495 17.969 1.00 18.04 C -HETATM 5598 O3' MGD A 801 78.580 28.593 16.537 1.00 12.85 O -HETATM 5599 C2' MGD A 801 78.317 27.039 18.394 1.00 19.03 C -HETATM 5600 O2' MGD A 801 77.345 26.442 17.515 1.00 19.79 O -HETATM 5601 C1' MGD A 801 79.714 26.455 18.189 1.00 18.79 C -HETATM 5602 N9 MGD A 801 80.018 25.253 18.960 1.00 19.05 N -HETATM 5603 C8 MGD A 801 79.511 24.729 20.142 1.00 19.90 C -HETATM 5604 N7 MGD A 801 80.119 23.628 20.555 1.00 18.57 N -HETATM 5605 C5 MGD A 801 81.078 23.416 19.578 1.00 17.71 C -HETATM 5606 C6 MGD A 801 82.033 22.405 19.430 1.00 16.94 C -HETATM 5607 O6 MGD A 801 82.139 21.418 20.151 1.00 16.66 O -HETATM 5608 N1 MGD A 801 82.803 22.558 18.307 1.00 17.07 N -HETATM 5609 C2 MGD A 801 82.693 23.571 17.400 1.00 16.08 C -HETATM 5610 N2 MGD A 801 83.511 23.523 16.371 1.00 16.58 N -HETATM 5611 N3 MGD A 801 81.797 24.537 17.519 1.00 16.50 N -HETATM 5612 C4 MGD A 801 81.024 24.406 18.612 1.00 18.49 C -HETATM 5613 C10 MGD A 801 80.188 35.356 22.733 1.00 24.98 C -HETATM 5614 C11 MGD A 801 80.685 36.788 23.001 1.00 25.14 C -HETATM 5615 O11 MGD A 801 79.720 37.773 22.718 1.00 26.14 O -HETATM 5616 C12 MGD A 801 81.136 36.989 24.427 1.00 24.90 C -HETATM 5617 S12 MGD A 801 81.566 35.623 25.445 1.00 26.69 S -HETATM 5618 C13 MGD A 801 81.116 38.256 24.997 1.00 24.47 C -HETATM 5619 S13 MGD A 801 81.729 38.407 26.652 1.00 24.94 S -HETATM 5620 C14 MGD A 801 80.617 39.460 24.219 1.00 23.46 C -HETATM 5621 N15 MGD A 801 79.463 39.983 24.917 1.00 22.27 N -HETATM 5622 C16 MGD A 801 78.720 40.882 24.201 1.00 23.80 C -HETATM 5623 C17 MGD A 801 77.932 41.827 24.882 1.00 23.20 C -HETATM 5624 O17 MGD A 801 77.936 41.898 26.105 1.00 21.06 O -HETATM 5625 N18 MGD A 801 77.180 42.691 24.111 1.00 25.35 N -HETATM 5626 C19 MGD A 801 77.175 42.665 22.742 1.00 24.50 C -HETATM 5627 N19 MGD A 801 76.335 43.470 22.081 1.00 24.40 N -HETATM 5628 N20 MGD A 801 77.931 41.777 22.110 1.00 24.56 N -HETATM 5629 C21 MGD A 801 78.702 40.874 22.779 1.00 25.27 C -HETATM 5630 N22 MGD A 801 79.445 39.989 22.050 1.00 25.15 N -HETATM 5631 C23 MGD A 801 80.282 39.058 22.798 1.00 24.47 C -HETATM 5632 PB MGD A 802 76.352 41.696 31.651 1.00 17.69 P -HETATM 5633 O1B MGD A 802 75.056 41.170 32.039 1.00 17.72 O -HETATM 5634 O2B MGD A 802 76.663 41.892 30.210 1.00 19.38 O -HETATM 5635 O3B MGD A 802 77.460 40.710 32.197 1.00 19.05 O -HETATM 5636 O3A MGD A 802 77.610 38.347 32.758 1.00 18.16 O -HETATM 5637 PA MGD A 802 77.633 39.767 33.462 1.00 20.83 P -HETATM 5638 O1A MGD A 802 78.998 40.069 33.994 1.00 22.61 O -HETATM 5639 O2A MGD A 802 76.457 39.952 34.347 1.00 19.45 O -HETATM 5640 O5' MGD A 802 76.609 43.044 32.452 1.00 19.14 O -HETATM 5641 C5' MGD A 802 76.720 43.061 33.863 1.00 18.38 C -HETATM 5642 C4' MGD A 802 76.171 44.346 34.422 1.00 19.01 C -HETATM 5643 O4' MGD A 802 77.000 45.456 34.195 1.00 19.84 O -HETATM 5644 C3' MGD A 802 74.841 44.686 33.771 1.00 19.56 C -HETATM 5645 O3' MGD A 802 73.841 44.494 34.758 1.00 18.21 O -HETATM 5646 C2' MGD A 802 74.989 46.165 33.374 1.00 22.18 C -HETATM 5647 O2' MGD A 802 73.848 46.980 33.699 1.00 24.31 O -HETATM 5648 C1' MGD A 802 76.129 46.571 34.261 1.00 22.71 C -HETATM 5649 N9 MGD A 802 76.695 47.885 33.835 1.00 24.53 N -HETATM 5650 C8 MGD A 802 76.501 48.611 32.675 1.00 24.52 C -HETATM 5651 N7 MGD A 802 77.144 49.758 32.686 1.00 25.46 N -HETATM 5652 C5 MGD A 802 77.797 49.778 33.924 1.00 22.86 C -HETATM 5653 C6 MGD A 802 78.643 50.735 34.532 1.00 23.67 C -HETATM 5654 O6 MGD A 802 79.020 51.771 33.961 1.00 25.14 O -HETATM 5655 N1 MGD A 802 79.079 50.398 35.798 1.00 22.07 N -HETATM 5656 C2 MGD A 802 78.728 49.233 36.424 1.00 21.22 C -HETATM 5657 N2 MGD A 802 79.173 48.973 37.656 1.00 20.70 N -HETATM 5658 N3 MGD A 802 77.945 48.358 35.831 1.00 20.89 N -HETATM 5659 C4 MGD A 802 77.516 48.661 34.614 1.00 21.99 C -HETATM 5660 C10 MGD A 802 78.463 38.088 31.653 1.00 21.04 C -HETATM 5661 C11 MGD A 802 78.548 36.588 31.399 1.00 24.97 C -HETATM 5662 O11 MGD A 802 77.241 36.029 31.265 1.00 24.82 O -HETATM 5663 C12 MGD A 802 79.376 36.268 30.158 1.00 26.24 C -HETATM 5664 S12 MGD A 802 80.927 37.086 29.902 1.00 27.37 S -HETATM 5665 C13 MGD A 802 78.937 35.257 29.269 1.00 25.56 C -HETATM 5666 S13 MGD A 802 79.812 34.934 27.768 1.00 25.87 S -HETATM 5667 C14 MGD A 802 77.665 34.484 29.564 1.00 25.24 C -HETATM 5668 N15 MGD A 802 76.599 34.947 28.694 1.00 25.48 N -HETATM 5669 C16 MGD A 802 75.327 34.585 29.088 1.00 25.30 C -HETATM 5670 C17 MGD A 802 74.235 34.677 28.161 1.00 24.95 C -HETATM 5671 O17 MGD A 802 74.401 34.871 26.952 1.00 22.56 O -HETATM 5672 N18 MGD A 802 72.977 34.361 28.661 1.00 25.20 N -HETATM 5673 C19 MGD A 802 72.792 33.964 29.960 1.00 24.86 C -HETATM 5674 N19 MGD A 802 71.579 33.792 30.442 1.00 24.71 N -HETATM 5675 N20 MGD A 802 73.819 33.856 30.785 1.00 25.71 N -HETATM 5676 C21 MGD A 802 75.086 34.165 30.402 1.00 25.20 C -HETATM 5677 N22 MGD A 802 76.093 34.017 31.309 1.00 24.42 N -HETATM 5678 C23 MGD A 802 77.332 34.675 30.988 1.00 23.87 C -HETATM 5679 MO 6MO A 803 81.790 36.367 27.811 1.00 25.13 MO -HETATM 5680 O HOH A 804 81.358 38.259 34.297 1.00 24.12 O -HETATM 5681 O HOH A 805 80.409 21.561 39.837 1.00 12.20 O -HETATM 5682 O HOH A 806 80.037 14.428 6.768 1.00 20.21 O -HETATM 5683 O HOH A 807 95.810 16.515 1.749 1.00 14.32 O -HETATM 5684 O HOH A 808 84.522 59.799 54.567 1.00 42.64 O -HETATM 5685 O HOH A 809 87.359 45.090 54.214 1.00 27.25 O -HETATM 5686 O HOH A 810 87.324 41.864 47.800 1.00 21.09 O -HETATM 5687 O HOH A 811 84.945 29.168 31.957 1.00 4.52 O -HETATM 5688 O HOH A 812 105.599 29.979 19.702 1.00 2.74 O -HETATM 5689 O HOH A 813 94.045 40.256 3.432 1.00 2.00 O -HETATM 5690 O HOH A 814 80.072 29.504 14.018 1.00 17.24 O -HETATM 5691 O HOH A 815 84.836 18.132 19.331 1.00 49.70 O -HETATM 5692 O HOH A 816 79.214 15.100 26.489 1.00 19.99 O -HETATM 5693 O HOH A 817 85.303 16.223 37.244 1.00 8.62 O -HETATM 5694 O HOH A 818 93.303 13.363 13.527 1.00 67.43 O -HETATM 5695 O HOH A 819 73.450 13.032 18.238 1.00 11.85 O -HETATM 5696 O HOH A 820 84.144 22.916 34.781 1.00 14.44 O -HETATM 5697 O HOH A 821 80.161 25.175 32.892 1.00 11.56 O -HETATM 5698 O HOH A 822 83.181 25.080 33.483 1.00 22.54 O -HETATM 5699 O HOH A 823 61.014 34.591 30.958 1.00 43.61 O -HETATM 5700 O HOH A 824 76.138 20.713 6.701 1.00 38.77 O -HETATM 5701 O HOH A 825 89.195 32.135 37.198 1.00 19.28 O -HETATM 5702 O HOH A 826 96.026 47.595 41.456 1.00 19.60 O -HETATM 5703 O HOH A 827 71.793 20.954 28.676 1.00 54.73 O -HETATM 5704 O HOH A 828 78.456 21.815 22.410 1.00 21.87 O -HETATM 5705 O HOH A 829 81.931 18.796 40.832 1.00 16.07 O -HETATM 5706 O HOH A 830 66.609 29.986 36.766 1.00 8.38 O -HETATM 5707 O HOH A 831 73.469 31.792 33.224 1.00 19.68 O -HETATM 5708 O HOH A 832 69.227 21.216 17.131 1.00 20.12 O -HETATM 5709 O HOH A 833 69.221 22.034 14.334 1.00 16.58 O -HETATM 5710 O HOH A 834 84.183 15.210 -2.572 1.00 20.94 O -HETATM 5711 O HOH A 835 92.218 21.801 -4.426 1.00 40.82 O -HETATM 5712 O HOH A 836 103.031 18.676 1.949 1.00 26.69 O -HETATM 5713 O HOH A 837 86.353 24.497 24.797 1.00 3.06 O -HETATM 5714 O HOH A 838 83.312 25.051 21.182 1.00 5.33 O -HETATM 5715 O HOH A 839 93.413 37.027 41.122 1.00 30.46 O -HETATM 5716 O HOH A 840 82.906 29.098 51.494 1.00 23.32 O -HETATM 5717 O HOH A 841 84.229 53.557 33.137 1.00 27.47 O -HETATM 5718 O HOH A 842 98.424 38.024 53.239 1.00 23.51 O -HETATM 5719 O HOH A 843 95.864 38.614 54.007 1.00 13.64 O -HETATM 5720 O HOH A 844 102.563 40.068 48.952 1.00 18.31 O -HETATM 5721 O HOH A 845 100.493 59.810 41.470 1.00 25.58 O -HETATM 5722 O HOH A 846 102.373 32.398 34.442 1.00 14.12 O -HETATM 5723 O HOH A 847 108.842 20.842 34.381 1.00 33.23 O -HETATM 5724 O HOH A 848 110.752 19.771 26.373 1.00 16.13 O -HETATM 5725 O HOH A 849 82.603 36.078 18.419 1.00 52.97 O -HETATM 5726 O HOH A 850 76.248 29.368 20.638 1.00 17.52 O -HETATM 5727 O HOH A 851 87.890 44.598 7.256 1.00 35.03 O -HETATM 5728 O HOH A 852 88.009 11.374 24.095 1.00 24.34 O -HETATM 5729 O HOH A 853 84.724 26.415 44.249 1.00 10.17 O -HETATM 5730 O HOH A 854 93.615 11.982 16.039 1.00 10.89 O -HETATM 5731 O HOH A 855 105.002 16.305 27.044 1.00 35.98 O -HETATM 5732 O HOH A 856 102.070 26.920 41.837 1.00 23.46 O -HETATM 5733 O HOH A 857 76.515 12.953 40.386 1.00 43.93 O -HETATM 5734 O HOH A 858 98.601 26.980 45.477 1.00 20.58 O -HETATM 5735 O HOH A 859 73.624 29.438 22.395 1.00 2.00 O -HETATM 5736 O HOH A 860 55.504 54.390 11.739 1.00 47.62 O -HETATM 5737 O HOH A 861 83.386 35.012 28.255 1.00 13.46 O -HETATM 5738 O HOH A 862 86.697 36.010 29.572 1.00 8.53 O -HETATM 5739 O HOH A 863 97.405 36.021 33.634 1.00 17.70 O -HETATM 5740 O HOH A 864 92.794 33.636 32.756 1.00 27.01 O -HETATM 5741 O HOH A 865 86.782 38.941 14.152 1.00 30.04 O -HETATM 5742 O HOH A 866 77.273 45.666 5.691 1.00 12.44 O -HETATM 5743 O HOH A 867 76.141 43.649 8.825 1.00 17.25 O -CONECT 60 5578 -CONECT 85 5580 -CONECT 106 5579 -CONECT 303 5577 -CONECT 1065 1070 -CONECT 1070 1065 1071 -CONECT 1071 1070 1072 1074 -CONECT 1072 1071 1073 -CONECT 1073 1072 5679 -CONECT 1074 1071 1075 1076 -CONECT 1075 1074 -CONECT 1076 1074 -CONECT 5577 303 5582 5583 5584 -CONECT 5578 60 5581 5583 5584 -CONECT 5579 106 5581 5582 5584 -CONECT 5580 85 5581 5582 5583 -CONECT 5581 5578 5579 5580 -CONECT 5582 5577 5579 5580 -CONECT 5583 5577 5578 5580 -CONECT 5584 5577 5578 5579 -CONECT 5585 5586 5587 5588 5593 -CONECT 5586 5585 -CONECT 5587 5585 -CONECT 5588 5585 5590 -CONECT 5589 5590 5613 -CONECT 5590 5588 5589 5591 5592 -CONECT 5591 5590 -CONECT 5592 5590 -CONECT 5593 5585 5594 -CONECT 5594 5593 5595 -CONECT 5595 5594 5596 5597 -CONECT 5596 5595 5601 -CONECT 5597 5595 5598 5599 -CONECT 5598 5597 -CONECT 5599 5597 5600 5601 -CONECT 5600 5599 -CONECT 5601 5596 5599 5602 -CONECT 5602 5601 5603 5612 -CONECT 5603 5602 5604 -CONECT 5604 5603 5605 -CONECT 5605 5604 5606 5612 -CONECT 5606 5605 5607 5608 -CONECT 5607 5606 -CONECT 5608 5606 5609 -CONECT 5609 5608 5610 5611 -CONECT 5610 5609 -CONECT 5611 5609 5612 -CONECT 5612 5602 5605 5611 -CONECT 5613 5589 5614 -CONECT 5614 5613 5615 5616 -CONECT 5615 5614 5631 -CONECT 5616 5614 5617 5618 -CONECT 5617 5616 5679 -CONECT 5618 5616 5619 5620 -CONECT 5619 5618 5679 -CONECT 5620 5618 5621 5631 -CONECT 5621 5620 5622 -CONECT 5622 5621 5623 5629 -CONECT 5623 5622 5624 5625 -CONECT 5624 5623 -CONECT 5625 5623 5626 -CONECT 5626 5625 5627 5628 -CONECT 5627 5626 -CONECT 5628 5626 5629 -CONECT 5629 5622 5628 5630 -CONECT 5630 5629 5631 -CONECT 5631 5615 5620 5630 -CONECT 5632 5633 5634 5635 5640 -CONECT 5633 5632 -CONECT 5634 5632 -CONECT 5635 5632 5637 -CONECT 5636 5637 5660 -CONECT 5637 5635 5636 5638 5639 -CONECT 5638 5637 -CONECT 5639 5637 -CONECT 5640 5632 5641 -CONECT 5641 5640 5642 -CONECT 5642 5641 5643 5644 -CONECT 5643 5642 5648 -CONECT 5644 5642 5645 5646 -CONECT 5645 5644 -CONECT 5646 5644 5647 5648 -CONECT 5647 5646 -CONECT 5648 5643 5646 5649 -CONECT 5649 5648 5650 5659 -CONECT 5650 5649 5651 -CONECT 5651 5650 5652 -CONECT 5652 5651 5653 5659 -CONECT 5653 5652 5654 5655 -CONECT 5654 5653 -CONECT 5655 5653 5656 -CONECT 5656 5655 5657 5658 -CONECT 5657 5656 -CONECT 5658 5656 5659 -CONECT 5659 5649 5652 5658 -CONECT 5660 5636 5661 -CONECT 5661 5660 5662 5663 -CONECT 5662 5661 5678 -CONECT 5663 5661 5664 5665 -CONECT 5664 5663 5679 -CONECT 5665 5663 5666 5667 -CONECT 5666 5665 5679 -CONECT 5667 5665 5668 5678 -CONECT 5668 5667 5669 -CONECT 5669 5668 5670 5676 -CONECT 5670 5669 5671 5672 -CONECT 5671 5670 -CONECT 5672 5670 5673 -CONECT 5673 5672 5674 5675 -CONECT 5674 5673 -CONECT 5675 5673 5676 -CONECT 5676 5669 5675 5677 -CONECT 5677 5676 5678 -CONECT 5678 5662 5667 5677 -CONECT 5679 1073 5617 5619 5664 -CONECT 5679 5666 5737 -CONECT 5737 5679 -MASTER 373 0 5 31 24 0 26 6 5742 1 117 55 -END diff --git a/biojava-structure/src/test/resources/1j59.cif b/biojava-structure/src/test/resources/1j59.cif deleted file mode 100644 index 1c29e2343a..0000000000 --- a/biojava-structure/src/test/resources/1j59.cif +++ /dev/null @@ -1,6976 +0,0 @@ -data_1J59 -# -_entry.id 1J59 -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 1.0670 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -loop_ -_database_2.database_id -_database_2.database_code -PDB 1J59 -NDB PD0299 -RCSB RCSB001694 -# -loop_ -_database_PDB_rev.num -_database_PDB_rev.date -_database_PDB_rev.date_original -_database_PDB_rev.status -_database_PDB_rev.replaces -_database_PDB_rev.mod_type -1 2002-03-01 2002-03-01 ? 1J59 0 -2 2003-04-01 ? ? 1J59 1 -3 2009-02-24 ? ? 1J59 1 -# -loop_ -_database_PDB_rev_record.rev_num -_database_PDB_rev_record.type -_database_PDB_rev_record.details -2 JRNL ? -3 VERSN ? -# -_pdbx_database_PDB_obs_spr.id SPRSDE -_pdbx_database_PDB_obs_spr.pdb_id 1J59 -_pdbx_database_PDB_obs_spr.replace_pdb_id 1BER -_pdbx_database_PDB_obs_spr.date 2002-03-01 -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 1J59 -_pdbx_database_status.deposit_site RCSB -_pdbx_database_status.process_site RCSB -_pdbx_database_status.SG_entry . -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Parkinson, G.' 1 -'Wilson, C.' 2 -'Gunasekera, A.' 3 -'Ebright, Y.W.' 4 -'Ebright, R.H.' 5 -'Berman, H.M.' 6 -# -_citation.id primary -_citation.title -'Structure of the CAP-DNA complex at 2.5 angstroms resolution: a complete picture of the protein-DNA interface.' -_citation.journal_abbrev J.Mol.Biol. -_citation.journal_volume 260 -_citation.page_first 395 -_citation.page_last 408 -_citation.year 1996 -_citation.journal_id_ASTM JMOBAK -_citation.country UK -_citation.journal_id_ISSN 0022-2836 -_citation.journal_id_CSD 0070 -_citation.book_publisher ? -_citation.pdbx_database_id_PubMed 8757802 -_citation.pdbx_database_id_DOI 10.1006/jmbi.1996.0409 -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -primary 'Parkinson, G.' 1 -primary 'Wilson, C.' 2 -primary 'Gunasekera, A.' 3 -primary 'Ebright, Y.W.' 4 -primary 'Ebright, R.E.' 5 -primary 'Berman, H.M.' 6 -# -_cell.entry_id 1J59 -_cell.length_a 136.990 -_cell.length_b 152.800 -_cell.length_c 76.060 -_cell.angle_alpha 90.00 -_cell.angle_beta 90.00 -_cell.angle_gamma 90.00 -_cell.Z_PDB 16 -_cell.pdbx_unique_axis ? -# -_symmetry.entry_id 1J59 -_symmetry.space_group_name_H-M 'C 2 2 21' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number ? -# -loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -1 polymer syn "5'-D(*GP*CP*GP*AP*AP*AP*AP*GP*TP*GP*TP*GP*AP*C)-3'" 4353.889 2 ? -2 polymer syn -;5'-D(*AP*TP*AP*TP*GP*TP*CP*AP*CP*AP*CP*TP*TP*TP*TP*CP*G )-3' -; -5152.401 2 ? -3 polymer man 'CATABOLITE GENE ACTIVATOR PROTEIN (CAP)' 23541.408 2 ? -4 non-polymer syn "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" 329.208 2 ? -5 water nat water 18.015 286 ? -# -loop_ -_entity_poly.entity_id -_entity_poly.type -_entity_poly.nstd_linkage -_entity_poly.nstd_monomer -_entity_poly.pdbx_seq_one_letter_code -_entity_poly.pdbx_seq_one_letter_code_can -_entity_poly.pdbx_strand_id -1 polydeoxyribonucleotide no no '(DG)(DC)(DG)(DA)(DA)(DA)(DA)(DG)(DT)(DG)(DT)(DG)(DA)(DC)' -GCGAAAAGTGTGAC -C,E -2 polydeoxyribonucleotide no no '(DA)(DT)(DA)(DT)(DG)(DT)(DC)(DA)(DC)(DA)(DC)(DT)(DT)(DT)(DT)(DC)(DG)' -ATATGTCACACTTTTCG -D,F -3 'polypeptide(L)' no no -;VLGKPQTDPTLEWFLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFEEGQ -ERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLDVTGRIAQTLLNLAKQPDAMTHP -DGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVYGTR -; -;VLGKPQTDPTLEWFLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFEEGQ -ERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLDVTGRIAQTLLNLAKQPDAMTHP -DGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVYGTR -; -A,B -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 DG n -1 2 DC n -1 3 DG n -1 4 DA n -1 5 DA n -1 6 DA n -1 7 DA n -1 8 DG n -1 9 DT n -1 10 DG n -1 11 DT n -1 12 DG n -1 13 DA n -1 14 DC n -2 1 DA n -2 2 DT n -2 3 DA n -2 4 DT n -2 5 DG n -2 6 DT n -2 7 DC n -2 8 DA n -2 9 DC n -2 10 DA n -2 11 DC n -2 12 DT n -2 13 DT n -2 14 DT n -2 15 DT n -2 16 DC n -2 17 DG n -3 1 VAL n -3 2 LEU n -3 3 GLY n -3 4 LYS n -3 5 PRO n -3 6 GLN n -3 7 THR n -3 8 ASP n -3 9 PRO n -3 10 THR n -3 11 LEU n -3 12 GLU n -3 13 TRP n -3 14 PHE n -3 15 LEU n -3 16 SER n -3 17 HIS n -3 18 CYS n -3 19 HIS n -3 20 ILE n -3 21 HIS n -3 22 LYS n -3 23 TYR n -3 24 PRO n -3 25 SER n -3 26 LYS n -3 27 SER n -3 28 THR n -3 29 LEU n -3 30 ILE n -3 31 HIS n -3 32 GLN n -3 33 GLY n -3 34 GLU n -3 35 LYS n -3 36 ALA n -3 37 GLU n -3 38 THR n -3 39 LEU n -3 40 TYR n -3 41 TYR n -3 42 ILE n -3 43 VAL n -3 44 LYS n -3 45 GLY n -3 46 SER n -3 47 VAL n -3 48 ALA n -3 49 VAL n -3 50 LEU n -3 51 ILE n -3 52 LYS n -3 53 ASP n -3 54 GLU n -3 55 GLU n -3 56 GLY n -3 57 LYS n -3 58 GLU n -3 59 MET n -3 60 ILE n -3 61 LEU n -3 62 SER n -3 63 TYR n -3 64 LEU n -3 65 ASN n -3 66 GLN n -3 67 GLY n -3 68 ASP n -3 69 PHE n -3 70 ILE n -3 71 GLY n -3 72 GLU n -3 73 LEU n -3 74 GLY n -3 75 LEU n -3 76 PHE n -3 77 GLU n -3 78 GLU n -3 79 GLY n -3 80 GLN n -3 81 GLU n -3 82 ARG n -3 83 SER n -3 84 ALA n -3 85 TRP n -3 86 VAL n -3 87 ARG n -3 88 ALA n -3 89 LYS n -3 90 THR n -3 91 ALA n -3 92 CYS n -3 93 GLU n -3 94 VAL n -3 95 ALA n -3 96 GLU n -3 97 ILE n -3 98 SER n -3 99 TYR n -3 100 LYS n -3 101 LYS n -3 102 PHE n -3 103 ARG n -3 104 GLN n -3 105 LEU n -3 106 ILE n -3 107 GLN n -3 108 VAL n -3 109 ASN n -3 110 PRO n -3 111 ASP n -3 112 ILE n -3 113 LEU n -3 114 MET n -3 115 ARG n -3 116 LEU n -3 117 SER n -3 118 ALA n -3 119 GLN n -3 120 MET n -3 121 ALA n -3 122 ARG n -3 123 ARG n -3 124 LEU n -3 125 GLN n -3 126 VAL n -3 127 THR n -3 128 SER n -3 129 GLU n -3 130 LYS n -3 131 VAL n -3 132 GLY n -3 133 ASN n -3 134 LEU n -3 135 ALA n -3 136 PHE n -3 137 LEU n -3 138 ASP n -3 139 VAL n -3 140 THR n -3 141 GLY n -3 142 ARG n -3 143 ILE n -3 144 ALA n -3 145 GLN n -3 146 THR n -3 147 LEU n -3 148 LEU n -3 149 ASN n -3 150 LEU n -3 151 ALA n -3 152 LYS n -3 153 GLN n -3 154 PRO n -3 155 ASP n -3 156 ALA n -3 157 MET n -3 158 THR n -3 159 HIS n -3 160 PRO n -3 161 ASP n -3 162 GLY n -3 163 MET n -3 164 GLN n -3 165 ILE n -3 166 LYS n -3 167 ILE n -3 168 THR n -3 169 ARG n -3 170 GLN n -3 171 GLU n -3 172 ILE n -3 173 GLY n -3 174 GLN n -3 175 ILE n -3 176 VAL n -3 177 GLY n -3 178 CYS n -3 179 SER n -3 180 ARG n -3 181 GLU n -3 182 THR n -3 183 VAL n -3 184 GLY n -3 185 ARG n -3 186 ILE n -3 187 LEU n -3 188 LYS n -3 189 MET n -3 190 LEU n -3 191 GLU n -3 192 ASP n -3 193 GLN n -3 194 ASN n -3 195 LEU n -3 196 ILE n -3 197 SER n -3 198 ALA n -3 199 HIS n -3 200 GLY n -3 201 LYS n -3 202 THR n -3 203 ILE n -3 204 VAL n -3 205 VAL n -3 206 TYR n -3 207 GLY n -3 208 THR n -3 209 ARG n -# -_entity_src_gen.entity_id 3 -_entity_src_gen.gene_src_common_name ? -_entity_src_gen.gene_src_genus Escherichia -_entity_src_gen.pdbx_gene_src_gene ? -_entity_src_gen.gene_src_species ? -_entity_src_gen.gene_src_strain ? -_entity_src_gen.gene_src_tissue ? -_entity_src_gen.gene_src_tissue_fraction ? -_entity_src_gen.gene_src_details ? -_entity_src_gen.pdbx_gene_src_fragment ? -_entity_src_gen.pdbx_gene_src_scientific_name 'Escherichia coli' -_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 562 -_entity_src_gen.pdbx_gene_src_variant ? -_entity_src_gen.pdbx_gene_src_cell_line ? -_entity_src_gen.pdbx_gene_src_atcc ? -_entity_src_gen.pdbx_gene_src_organ ? -_entity_src_gen.pdbx_gene_src_organelle ? -_entity_src_gen.pdbx_gene_src_cell ? -_entity_src_gen.pdbx_gene_src_cellular_location ? -_entity_src_gen.host_org_common_name ? -_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' -_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 -_entity_src_gen.host_org_genus Escherichia -_entity_src_gen.pdbx_host_org_gene ? -_entity_src_gen.pdbx_host_org_organ ? -_entity_src_gen.host_org_species ? -_entity_src_gen.pdbx_host_org_tissue ? -_entity_src_gen.pdbx_host_org_tissue_fraction ? -_entity_src_gen.pdbx_host_org_strain ? -_entity_src_gen.pdbx_host_org_variant ? -_entity_src_gen.pdbx_host_org_cell_line ? -_entity_src_gen.pdbx_host_org_atcc ? -_entity_src_gen.pdbx_host_org_culture_collection ? -_entity_src_gen.pdbx_host_org_cell ? -_entity_src_gen.pdbx_host_org_organelle ? -_entity_src_gen.pdbx_host_org_cellular_location ? -_entity_src_gen.pdbx_host_org_vector_type ? -_entity_src_gen.pdbx_host_org_vector ? -_entity_src_gen.plasmid_name ? -_entity_src_gen.plasmid_details ? -_entity_src_gen.pdbx_description ? -# -loop_ -_struct_ref.id -_struct_ref.db_name -_struct_ref.db_code -_struct_ref.entity_id -_struct_ref.pdbx_seq_one_letter_code -_struct_ref.pdbx_align_begin -_struct_ref.biol_id -_struct_ref.pdbx_db_accession -1 UNP CRP_ECOLI 3 ? ? . P0ACJ8 -2 PDB 1J59 1 ? ? . 1J59 -3 PDB 1J59 2 ? ? . 1J59 -# -loop_ -_struct_ref_seq.align_id -_struct_ref_seq.ref_id -_struct_ref_seq.pdbx_PDB_id_code -_struct_ref_seq.pdbx_strand_id -_struct_ref_seq.seq_align_beg -_struct_ref_seq.pdbx_seq_align_beg_ins_code -_struct_ref_seq.seq_align_end -_struct_ref_seq.pdbx_seq_align_end_ins_code -_struct_ref_seq.pdbx_db_accession -_struct_ref_seq.db_align_beg -_struct_ref_seq.pdbx_db_align_beg_ins_code -_struct_ref_seq.db_align_end -_struct_ref_seq.pdbx_db_align_end_ins_code -_struct_ref_seq.pdbx_auth_seq_align_beg -_struct_ref_seq.pdbx_auth_seq_align_end -1 1 1J59 A 1 ? 209 ? P0ACJ8 2 ? 210 ? 1 209 -2 1 1J59 B 1 ? 209 ? P0ACJ8 2 ? 210 ? 1 209 -3 2 1J59 C 1 ? 14 ? 1J59 -5 ? 9 ? -5 9 -4 3 1J59 D 1 ? 17 ? 1J59 10 ? 26 ? 10 26 -5 2 1J59 E 1 ? 14 ? 1J59 27 ? 14 ? 27 14 -6 3 1J59 F 1 ? 17 ? 1J59 13 ? -4 ? 13 -4 -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.224 -DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.199 -DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.224 -DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.211 -PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.132 -THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.120 -LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.174 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.130 -TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.228 -PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.191 -SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 -HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.164 -CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.154 -ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.174 -LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.197 -TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 -GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 -GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 -ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.094 -VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.147 -ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.104 -MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.207 -ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 -ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.210 -CMP non-polymer . "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" 'CYCLIC AMP; CAMP' 'C10 H12 N5 O6 P' 329.208 -HOH non-polymer . WATER ? 'H2 O' 18.015 -# -_exptl.entry_id 1J59 -_exptl.method 'X-RAY DIFFRACTION' -_exptl.crystals_number ? -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_Matthews 3.50 -_exptl_crystal.density_percent_sol 58.71 -_exptl_crystal.description ? -# -_exptl_crystal_grow.crystal_id 1 -_exptl_crystal_grow.method ? -_exptl_crystal_grow.temp ? -_exptl_crystal_grow.temp_details ? -_exptl_crystal_grow.pH 6.50 -_exptl_crystal_grow.pdbx_details 'pH 6.50' -_exptl_crystal_grow.pdbx_pH_range . -# -_diffrn.id 1 -_diffrn.ambient_temp ? -_diffrn.ambient_temp_details ? -_diffrn.crystal_id 1 -# -_diffrn_detector.diffrn_id 1 -_diffrn_detector.detector 'IMAGE PLATE' -_diffrn_detector.type FUJI -_diffrn_detector.pdbx_collection_date 1992-11-01 -_diffrn_detector.details ? -# -_diffrn_radiation.diffrn_id 1 -_diffrn_radiation.wavelength_id 1 -_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M -_diffrn_radiation.monochromator ? -_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' -# -_diffrn_radiation_wavelength.id 1 -_diffrn_radiation_wavelength.wavelength 0.9100 -_diffrn_radiation_wavelength.wt 1.0 -# -_diffrn_source.diffrn_id 1 -_diffrn_source.source SYNCHROTRON -_diffrn_source.type 'CHESS BEAMLINE F1' -_diffrn_source.pdbx_synchrotron_site CHESS -_diffrn_source.pdbx_synchrotron_beamline F1 -_diffrn_source.pdbx_wavelength 0.9100 -_diffrn_source.pdbx_wavelength_list ? -# -_reflns.entry_id 1J59 -_reflns.observed_criterion_sigma_I ? -_reflns.observed_criterion_sigma_F ? -_reflns.d_resolution_low 30.000 -_reflns.d_resolution_high 2.500 -_reflns.number_obs 23876 -_reflns.number_all ? -_reflns.percent_possible_obs 85.4 -_reflns.pdbx_Rmerge_I_obs 0.1147 -_reflns.pdbx_Rsym_value ? -_reflns.pdbx_netI_over_sigmaI 2.0000 -_reflns.B_iso_Wilson_estimate ? -_reflns.pdbx_redundancy ? -_reflns.R_free_details ? -_reflns.limit_h_max ? -_reflns.limit_h_min ? -_reflns.limit_k_max ? -_reflns.limit_k_min ? -_reflns.limit_l_max ? -_reflns.limit_l_min ? -_reflns.observed_criterion_F_max ? -_reflns.observed_criterion_F_min ? -# -_computing.entry_id 1J59 -_computing.pdbx_data_reduction_ii 'PURDUE DATA PROCESSING PACKAGE' -_computing.pdbx_data_reduction_ds ? -_computing.data_collection ? -_computing.structure_solution ? -_computing.structure_refinement X-PLOR -_computing.pdbx_structure_refinement_method ? -# -_refine.entry_id 1J59 -_refine.ls_number_reflns_obs 23644 -_refine.ls_number_reflns_all ? -_refine.pdbx_ls_sigma_I ? -_refine.pdbx_ls_sigma_F 2.000 -_refine.pdbx_data_cutoff_high_absF ? -_refine.pdbx_data_cutoff_low_absF ? -_refine.pdbx_data_cutoff_high_rms_absF ? -_refine.ls_d_res_low 10.00 -_refine.ls_d_res_high 2.50 -_refine.ls_percent_reflns_obs 86.0 -_refine.ls_R_factor_obs 0.199 -_refine.ls_R_factor_all ? -_refine.ls_R_factor_R_work 0.199 -_refine.ls_R_factor_R_free 0.279 -_refine.ls_R_factor_R_free_error ? -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free ? -_refine.ls_number_reflns_R_free ? -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.correlation_coeff_Fo_to_Fc ? -_refine.correlation_coeff_Fo_to_Fc_free ? -_refine.B_iso_mean 30.90 -_refine.aniso_B[1][1] ? -_refine.aniso_B[2][2] ? -_refine.aniso_B[3][3] ? -_refine.aniso_B[1][2] ? -_refine.aniso_B[1][3] ? -_refine.aniso_B[2][3] ? -_refine.solvent_model_details ? -_refine.solvent_model_param_ksol ? -_refine.solvent_model_param_bsol ? -_refine.pdbx_solvent_vdw_probe_radii ? -_refine.pdbx_solvent_ion_probe_radii ? -_refine.pdbx_solvent_shrinkage_radii ? -_refine.pdbx_ls_cross_valid_method ? -_refine.details ? -_refine.pdbx_starting_model ? -_refine.pdbx_method_to_determine_struct ? -_refine.pdbx_isotropic_thermal_model ? -_refine.pdbx_stereochemistry_target_values ? -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details ? -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_ML ? -_refine.overall_SU_B ? -_refine.ls_redundancy_reflns_obs ? -_refine.overall_SU_R_Cruickshank_DPI ? -_refine.overall_SU_R_free ? -_refine.B_iso_min ? -_refine.B_iso_max ? -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -# -_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_hist.cycle_id LAST -_refine_hist.pdbx_number_atoms_protein 3128 -_refine_hist.pdbx_number_atoms_nucleic_acid 1262 -_refine_hist.pdbx_number_atoms_ligand 42 -_refine_hist.number_atoms_solvent 286 -_refine_hist.number_atoms_total 4718 -_refine_hist.d_res_high 2.50 -_refine_hist.d_res_low 10.00 -# -loop_ -_refine_ls_restr.type -_refine_ls_restr.dev_ideal -_refine_ls_restr.dev_ideal_target -_refine_ls_restr.weight -_refine_ls_restr.number -_refine_ls_restr.pdbx_refine_id -x_bond_d 0.017 ? ? ? 'X-RAY DIFFRACTION' -x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_deg 2.27 ? ? ? 'X-RAY DIFFRACTION' -x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_dihedral_angle_d 22.90 ? ? ? 'X-RAY DIFFRACTION' -x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_improper_angle_d 1.40 ? ? ? 'X-RAY DIFFRACTION' -x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' -x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' -x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' -x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' -# -_struct.entry_id 1J59 -_struct.title -;CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA COMPLEX + ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE -; -_struct.pdbx_descriptor -;CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA Complex, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE -; -_struct.pdbx_model_details ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 1J59 -_struct_keywords.pdbx_keywords 'GENE REGULATION/DNA' -_struct_keywords.text 'PROTEIN-DNA COMPLEX, GENE-REGULATORY, GENE REGULATION/DNA COMPLEX' -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 2 ? -C N N 1 ? -D N N 2 ? -E N N 3 ? -F N N 3 ? -G N N 4 ? -H N N 4 ? -I N N 5 ? -J N N 5 ? -K N N 5 ? -L N N 5 ? -M N N 5 ? -N N N 5 ? -# -_struct_biol.id 1 -_struct_biol.pdbx_parent_biol_id ? -_struct_biol.details ? -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 THR E 10 ? HIS E 17 ? THR A 10 HIS A 17 1 ? 8 -HELX_P HELX_P2 2 TYR E 99 ? ILE E 106 ? TYR A 99 ILE A 106 1 ? 8 -HELX_P HELX_P3 3 PRO E 110 ? PHE E 136 ? PRO A 110 PHE A 136 5 ? 27 -HELX_P HELX_P4 4 VAL E 139 ? LYS E 152 ? VAL A 139 LYS A 152 1 ? 14 -HELX_P HELX_P5 5 ARG E 169 ? VAL E 176 ? ARG A 169 VAL A 176 1 ? 8 -HELX_P HELX_P6 6 ARG E 180 ? ASP E 192 ? ARG A 180 ASP A 192 1 ? 13 -HELX_P HELX_P7 7 THR F 10 ? SER F 16 ? THR B 10 SER B 16 1 ? 7 -HELX_P HELX_P8 8 GLY F 74 ? PHE F 76 ? GLY B 74 PHE B 76 5 ? 3 -HELX_P HELX_P9 9 TYR F 99 ? VAL F 108 ? TYR B 99 VAL B 108 1 ? 10 -HELX_P HELX_P10 10 PRO F 110 ? PHE F 136 ? PRO B 110 PHE B 136 1 ? 27 -HELX_P HELX_P11 11 VAL F 139 ? LEU F 150 ? VAL B 139 LEU B 150 1 ? 12 -HELX_P HELX_P12 12 ARG F 169 ? VAL F 176 ? ARG B 169 VAL B 176 1 ? 8 -HELX_P HELX_P13 13 ARG F 180 ? GLU F 191 ? ARG B 180 GLU B 191 1 ? 12 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -loop_ -_struct_conn.id -_struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id -_struct_conn.ptnr1_label_asym_id -_struct_conn.ptnr1_label_comp_id -_struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id -_struct_conn.ptnr1_symmetry -_struct_conn.ptnr2_label_asym_id -_struct_conn.ptnr2_label_comp_id -_struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id -_struct_conn.ptnr2_auth_asym_id -_struct_conn.ptnr2_auth_comp_id -_struct_conn.ptnr2_auth_seq_id -_struct_conn.ptnr2_symmetry -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_comp_id -_struct_conn.pdbx_ptnr3_label_asym_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details -_struct_conn.pdbx_dist_value -mismat1 mismat ? B DA 3 . ? ? ? 1_555 D DA 1 . ? ? D DA 12 F DA 13 1_555 ? ? ? ? ? ? ? ? -mismat2 mismat ? B DC 9 . ? ? ? 1_555 C DT 9 . ? ? D DC 18 E DT 19 1_555 ? ? ? ? ? ? ? ? -mismat3 mismat ? B DC 11 . ? ? ? 1_555 C DA 7 . ? ? D DC 20 E DA 21 1_555 ? ? ? ? ? ? ? ? -hydrog1 hydrog ? A DC 2 N3 ? ? ? 1_555 D DG 17 N1 ? ? C DC -4 F DG -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog2 hydrog ? A DC 2 N4 ? ? ? 1_555 D DG 17 O6 ? ? C DC -4 F DG -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog3 hydrog ? A DC 2 O2 ? ? ? 1_555 D DG 17 N2 ? ? C DC -4 F DG -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog4 hydrog ? A DG 3 N1 ? ? ? 1_555 D DC 16 N3 ? ? C DG -3 F DC -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog5 hydrog ? A DG 3 N2 ? ? ? 1_555 D DC 16 O2 ? ? C DG -3 F DC -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog6 hydrog ? A DG 3 O6 ? ? ? 1_555 D DC 16 N4 ? ? C DG -3 F DC -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog7 hydrog ? A DA 4 N1 ? ? ? 1_555 D DT 15 N3 ? ? C DA -2 F DT -2 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog8 hydrog ? A DA 4 N6 ? ? ? 1_555 D DT 15 O4 ? ? C DA -2 F DT -2 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog9 hydrog ? A DA 5 N1 ? ? ? 1_555 D DT 14 N3 ? ? C DA -1 F DT -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog10 hydrog ? A DA 5 N6 ? ? ? 1_555 D DT 14 O4 ? ? C DA -1 F DT -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog11 hydrog ? A DA 6 N1 ? ? ? 1_555 D DT 13 N3 ? ? C DA 1 F DT 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog12 hydrog ? A DA 6 N6 ? ? ? 1_555 D DT 13 O4 ? ? C DA 1 F DT 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog13 hydrog ? A DA 7 N1 ? ? ? 1_555 D DT 12 N3 ? ? C DA 2 F DT 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog14 hydrog ? A DA 7 N6 ? ? ? 1_555 D DT 12 O4 ? ? C DA 2 F DT 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog15 hydrog ? A DG 8 N1 ? ? ? 1_555 D DC 11 N3 ? ? C DG 3 F DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog16 hydrog ? A DG 8 N2 ? ? ? 1_555 D DC 11 O2 ? ? C DG 3 F DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog17 hydrog ? A DG 8 O6 ? ? ? 1_555 D DC 11 N4 ? ? C DG 3 F DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog18 hydrog ? A DT 9 N3 ? ? ? 1_555 D DA 10 N1 ? ? C DT 4 F DA 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog19 hydrog ? A DT 9 O4 ? ? ? 1_555 D DA 10 N6 ? ? C DT 4 F DA 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog20 hydrog ? A DG 10 N1 ? ? ? 1_555 D DC 9 N3 ? ? C DG 5 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog21 hydrog ? A DG 10 N2 ? ? ? 1_555 D DC 9 O2 ? ? C DG 5 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog22 hydrog ? A DG 10 O6 ? ? ? 1_555 D DC 9 N4 ? ? C DG 5 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog23 hydrog ? A DT 11 N3 ? ? ? 1_555 D DA 8 N1 ? ? C DT 6 F DA 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog24 hydrog ? A DT 11 O4 ? ? ? 1_555 D DA 8 N6 ? ? C DT 6 F DA 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog25 hydrog ? A DG 12 N1 ? ? ? 1_555 D DC 7 N3 ? ? C DG 7 F DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog26 hydrog ? A DG 12 N2 ? ? ? 1_555 D DC 7 O2 ? ? C DG 7 F DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog27 hydrog ? A DG 12 O6 ? ? ? 1_555 D DC 7 N4 ? ? C DG 7 F DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog28 hydrog ? A DA 13 N1 ? ? ? 1_555 D DT 6 N3 ? ? C DA 8 F DT 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog29 hydrog ? A DA 13 N6 ? ? ? 1_555 D DT 6 O4 ? ? C DA 8 F DT 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog30 hydrog ? A DC 14 N3 ? ? ? 1_555 D DG 5 N1 ? ? C DC 9 F DG 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog31 hydrog ? A DC 14 N4 ? ? ? 1_555 D DG 5 O6 ? ? C DC 9 F DG 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog32 hydrog ? A DC 14 O2 ? ? ? 1_555 D DG 5 N2 ? ? C DC 9 F DG 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog33 hydrog ? B DA 1 N1 ? ? ? 1_555 D DT 4 N3 ? ? D DA 10 F DT 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog34 hydrog ? B DA 1 N6 ? ? ? 1_555 D DT 4 O4 ? ? D DA 10 F DT 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog35 hydrog ? B DT 2 N3 ? ? ? 1_555 D DA 3 N1 ? ? D DT 11 F DA 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog36 hydrog ? B DT 2 O4 ? ? ? 1_555 D DA 3 N6 ? ? D DT 11 F DA 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog37 hydrog ? B DA 3 N6 ? ? ? 1_555 D DA 1 N1 ? ? D DA 12 F DA 13 1_555 ? ? ? ? ? ? 'DA-DA MISPAIR' ? -hydrog38 hydrog ? B DA 3 N1 ? ? ? 1_555 D DT 2 N3 ? ? D DA 12 F DT 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog39 hydrog ? B DA 3 N6 ? ? ? 1_555 D DT 2 O4 ? ? D DA 12 F DT 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog40 hydrog ? B DT 4 N3 ? ? ? 1_555 D DA 1 N1 ? ? D DT 13 F DA 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog41 hydrog ? B DT 4 O4 ? ? ? 1_555 D DA 1 N6 ? ? D DT 13 F DA 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog42 hydrog ? B DG 5 N1 ? ? ? 1_555 C DC 14 N3 ? ? D DG 14 E DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog43 hydrog ? B DG 5 N2 ? ? ? 1_555 C DC 14 O2 ? ? D DG 14 E DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog44 hydrog ? B DG 5 O6 ? ? ? 1_555 C DC 14 N4 ? ? D DG 14 E DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog45 hydrog ? B DT 6 N3 ? ? ? 1_555 C DA 13 N1 ? ? D DT 15 E DA 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog46 hydrog ? B DT 6 O4 ? ? ? 1_555 C DA 13 N6 ? ? D DT 15 E DA 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog47 hydrog ? B DC 7 N3 ? ? ? 1_555 C DG 12 N1 ? ? D DC 16 E DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog48 hydrog ? B DC 7 N4 ? ? ? 1_555 C DG 12 O6 ? ? D DC 16 E DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog49 hydrog ? B DC 7 O2 ? ? ? 1_555 C DG 12 N2 ? ? D DC 16 E DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog50 hydrog ? B DA 8 N1 ? ? ? 1_555 C DT 11 N3 ? ? D DA 17 E DT 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog51 hydrog ? B DA 8 N6 ? ? ? 1_555 C DT 11 O4 ? ? D DA 17 E DT 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog52 hydrog ? B DC 9 N4 ? ? ? 1_555 C DT 9 O4 ? ? D DC 18 E DT 19 1_555 ? ? ? ? ? ? 'DC-DT MISPAIR' ? -hydrog53 hydrog ? B DC 9 N3 ? ? ? 1_555 C DG 10 N1 ? ? D DC 18 E DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog54 hydrog ? B DC 9 N4 ? ? ? 1_555 C DG 10 O6 ? ? D DC 18 E DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog55 hydrog ? B DC 9 O2 ? ? ? 1_555 C DG 10 N2 ? ? D DC 18 E DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog56 hydrog ? B DA 10 N1 ? ? ? 1_555 C DT 9 N3 ? ? D DA 19 E DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog57 hydrog ? B DA 10 N6 ? ? ? 1_555 C DT 9 O4 ? ? D DA 19 E DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog58 hydrog ? B DC 11 N3 ? ? ? 1_555 C DA 7 N6 ? ? D DC 20 E DA 21 1_555 ? ? ? ? ? ? 'DC-DA MISPAIR' ? -hydrog59 hydrog ? B DC 11 N3 ? ? ? 1_555 C DG 8 N1 ? ? D DC 20 E DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog60 hydrog ? B DC 11 N4 ? ? ? 1_555 C DG 8 O6 ? ? D DC 20 E DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog61 hydrog ? B DC 11 O2 ? ? ? 1_555 C DG 8 N2 ? ? D DC 20 E DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog62 hydrog ? B DT 12 O4 ? ? ? 1_555 C DA 6 N6 ? ? D DT 21 E DA 22 1_555 ? ? ? ? ? ? 'DT-DA PAIR' ? -hydrog63 hydrog ? B DT 12 N3 ? ? ? 1_555 C DA 7 N1 ? ? D DT 21 E DA 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog64 hydrog ? B DT 12 O4 ? ? ? 1_555 C DA 7 N6 ? ? D DT 21 E DA 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog65 hydrog ? B DT 13 O4 ? ? ? 1_555 C DA 5 N6 ? ? D DT 22 E DA 23 1_555 ? ? ? ? ? ? 'DT-DA PAIR' ? -hydrog66 hydrog ? B DT 13 N3 ? ? ? 1_555 C DA 6 N1 ? ? D DT 22 E DA 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog67 hydrog ? B DT 13 O4 ? ? ? 1_555 C DA 6 N6 ? ? D DT 22 E DA 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog68 hydrog ? B DT 14 N3 ? ? ? 1_555 C DA 5 N1 ? ? D DT 23 E DA 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog69 hydrog ? B DT 14 O4 ? ? ? 1_555 C DA 5 N6 ? ? D DT 23 E DA 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog70 hydrog ? B DT 15 N3 ? ? ? 1_555 C DA 4 N1 ? ? D DT 24 E DA 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog71 hydrog ? B DT 15 O4 ? ? ? 1_555 C DA 4 N6 ? ? D DT 24 E DA 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog72 hydrog ? B DC 16 N3 ? ? ? 1_555 C DG 3 N1 ? ? D DC 25 E DG 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog73 hydrog ? B DC 16 N4 ? ? ? 1_555 C DG 3 O6 ? ? D DC 25 E DG 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog74 hydrog ? B DC 16 O2 ? ? ? 1_555 C DG 3 N2 ? ? D DC 25 E DG 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog75 hydrog ? B DG 17 N1 ? ? ? 1_555 C DC 2 N3 ? ? D DG 26 E DC 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog76 hydrog ? B DG 17 N2 ? ? ? 1_555 C DC 2 O2 ? ? D DG 26 E DC 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? -hydrog77 hydrog ? B DG 17 O6 ? ? ? 1_555 C DC 2 N4 ? ? D DG 26 E DC 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? -# -loop_ -_struct_conn_type.id -_struct_conn_type.criteria -_struct_conn_type.reference -hydrog 'For hydrogen bonding between nucleic acid bases, donor to acceptor distance of 2.2 -3.5 Angstroms was used.' ? -mismat ? ? -# -loop_ -_struct_sheet.id -_struct_sheet.type -_struct_sheet.number_strands -_struct_sheet.details -A ? 3 ? -B ? 3 ? -C ? 3 ? -D ? 3 ? -E ? 2 ? -F ? 2 ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -A 1 2 ? anti-parallel -A 2 3 ? anti-parallel -B 1 2 ? anti-parallel -B 2 3 ? anti-parallel -C 1 2 ? anti-parallel -C 2 3 ? anti-parallel -D 1 2 ? anti-parallel -D 2 3 ? anti-parallel -E 1 2 ? anti-parallel -F 1 2 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -A 1 TRP E 85 . ALA E 88 . ? TRP A 85 ALA A 88 -A 2 VAL E 47 . LYS E 52 . ? VAL A 47 LYS A 52 -A 3 GLU E 58 . LEU E 64 . ? GLU A 58 LEU A 64 -B 1 MET E 163 . LYS E 166 . ? MET A 163 LYS A 166 -B 2 LYS E 201 . VAL E 204 . ? LYS A 201 VAL A 204 -B 3 ILE E 196 . ALA E 198 . ? ILE A 196 ALA A 198 -C 1 HIS F 19 . TYR F 23 . ? HIS B 19 TYR B 23 -C 2 CYS F 92 . SER F 98 . ? CYS B 92 SER B 98 -C 3 THR F 38 . LYS F 44 . ? THR B 38 LYS B 44 -D 1 TRP F 85 . ALA F 88 . ? TRP B 85 ALA B 88 -D 2 SER F 46 . LYS F 52 . ? SER B 46 LYS B 52 -D 3 GLU F 58 . ASN F 65 . ? GLU B 58 ASN B 65 -E 1 ILE F 196 . HIS F 199 . ? ILE B 196 HIS B 199 -E 2 LYS F 201 . VAL F 204 . ? LYS B 201 VAL B 204 -F 1 THR E 38 . LYS E 44 . ? THR A 38 LYS A 44 -F 2 GLU E 93 . SER E 98 . ? GLU A 93 SER A 98 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -A 1 2 O TRP E 85 ? O TRP A 85 N LEU E 50 ? N LEU A 50 -A 2 3 O VAL E 47 ? O VAL A 47 N LEU E 64 ? N LEU A 64 -B 1 2 O MET E 163 ? O MET A 163 N VAL E 204 ? N VAL A 204 -B 2 3 O ILE E 203 ? O ILE A 203 N SER E 197 ? N SER A 197 -C 1 2 O HIS F 19 ? O HIS B 19 N GLU F 96 ? N GLU B 96 -C 2 3 O GLU F 93 ? O GLU B 93 N LYS F 44 ? N LYS B 44 -D 1 2 O TRP F 85 ? O TRP B 85 N LEU F 50 ? N LEU B 50 -D 2 3 O VAL F 47 ? O VAL B 47 N LEU F 64 ? N LEU B 64 -E 1 2 O SER F 197 ? O SER B 197 N ILE F 203 ? N ILE B 203 -F 1 2 O LEU E 39 ? O LEU A 39 N ILE E 97 ? N ILE A 97 -# -loop_ -_struct_site.id -_struct_site.details -_struct_site.pdbx_evidence_code -AC1 'BINDING SITE FOR RESIDUE CMP B 761' SOFTWARE -AC2 'BINDING SITE FOR RESIDUE CMP A 762' SOFTWARE -# -loop_ -_struct_site_gen.id -_struct_site_gen.site_id -_struct_site_gen.pdbx_num_res -_struct_site_gen.label_comp_id -_struct_site_gen.label_asym_id -_struct_site_gen.label_seq_id -_struct_site_gen.pdbx_auth_ins_code -_struct_site_gen.auth_comp_id -_struct_site_gen.auth_asym_id -_struct_site_gen.auth_seq_id -_struct_site_gen.label_atom_id -_struct_site_gen.label_alt_id -_struct_site_gen.symmetry -_struct_site_gen.details -1 AC1 10 LEU E 124 ? LEU A 124 . . 1_555 ? -2 AC1 10 SER E 128 ? SER A 128 . . 1_555 ? -3 AC1 10 VAL F 49 ? VAL B 49 . . 1_555 ? -4 AC1 10 GLY F 71 ? GLY B 71 . . 1_555 ? -5 AC1 10 GLU F 72 ? GLU B 72 . . 1_555 ? -6 AC1 10 LEU F 73 ? LEU B 73 . . 1_555 ? -7 AC1 10 ARG F 82 ? ARG B 82 . . 1_555 ? -8 AC1 10 SER F 83 ? SER B 83 . . 1_555 ? -9 AC1 10 ALA F 84 ? ALA B 84 . . 1_555 ? -10 AC1 10 THR F 127 ? THR B 127 . . 1_555 ? -11 AC2 11 ILE E 30 ? ILE A 30 . . 1_555 ? -12 AC2 11 VAL E 49 ? VAL A 49 . . 1_555 ? -13 AC2 11 LEU E 61 ? LEU A 61 . . 1_555 ? -14 AC2 11 GLY E 71 ? GLY A 71 . . 1_555 ? -15 AC2 11 GLU E 72 ? GLU A 72 . . 1_555 ? -16 AC2 11 LEU E 73 ? LEU A 73 . . 1_555 ? -17 AC2 11 ARG E 82 ? ARG A 82 . . 1_555 ? -18 AC2 11 SER E 83 ? SER A 83 . . 1_555 ? -19 AC2 11 THR E 127 ? THR A 127 . . 1_555 ? -20 AC2 11 LEU F 124 ? LEU B 124 . . 1_555 ? -21 AC2 11 SER F 128 ? SER B 128 . . 1_555 ? -# -_database_PDB_matrix.entry_id 1J59 -_database_PDB_matrix.origx[1][1] 1.000000 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 1.000000 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 1.000000 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_atom_sites.entry_id 1J59 -_atom_sites.Cartn_transform_axes ? -_atom_sites.fract_transf_matrix[1][1] 0.007299 -_atom_sites.fract_transf_matrix[1][2] 0.000000 -_atom_sites.fract_transf_matrix[1][3] 0.000000 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 0.006544 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 0.013147 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_type.symbol -O -C -N -P -S -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.Cartn_x_esd -_atom_site.Cartn_y_esd -_atom_site.Cartn_z_esd -_atom_site.occupancy_esd -_atom_site.B_iso_or_equiv_esd -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 O "O5'" . DG A 1 1 ? -5.513 61.883 -25.680 1.00 38.64 ? ? ? ? ? ? -5 DG C "O5'" 1 -ATOM 2 C "C5'" . DG A 1 1 ? -4.320 62.508 -25.164 1.00 41.72 ? ? ? ? ? ? -5 DG C "C5'" 1 -ATOM 3 C "C4'" . DG A 1 1 ? -4.328 63.985 -25.475 1.00 38.99 ? ? ? ? ? ? -5 DG C "C4'" 1 -ATOM 4 O "O4'" . DG A 1 1 ? -4.443 64.782 -24.264 1.00 30.81 ? ? ? ? ? ? -5 DG C "O4'" 1 -ATOM 5 C "C3'" . DG A 1 1 ? -3.102 64.474 -26.247 1.00 36.45 ? ? ? ? ? ? -5 DG C "C3'" 1 -ATOM 6 O "O3'" . DG A 1 1 ? -3.629 65.218 -27.360 1.00 46.52 ? ? ? ? ? ? -5 DG C "O3'" 1 -ATOM 7 C "C2'" . DG A 1 1 ? -2.320 65.297 -25.223 1.00 36.24 ? ? ? ? ? ? -5 DG C "C2'" 1 -ATOM 8 C "C1'" . DG A 1 1 ? -3.319 65.650 -24.112 1.00 38.95 ? ? ? ? ? ? -5 DG C "C1'" 1 -ATOM 9 N N9 . DG A 1 1 ? -2.861 65.541 -22.717 1.00 36.28 ? ? ? ? ? ? -5 DG C N9 1 -ATOM 10 C C8 . DG A 1 1 ? -2.739 64.397 -21.970 1.00 33.98 ? ? ? ? ? ? -5 DG C C8 1 -ATOM 11 N N7 . DG A 1 1 ? -2.338 64.624 -20.741 1.00 39.95 ? ? ? ? ? ? -5 DG C N7 1 -ATOM 12 C C5 . DG A 1 1 ? -2.185 66.002 -20.669 1.00 35.40 ? ? ? ? ? ? -5 DG C C5 1 -ATOM 13 C C6 . DG A 1 1 ? -1.775 66.862 -19.573 1.00 38.15 ? ? ? ? ? ? -5 DG C C6 1 -ATOM 14 O O6 . DG A 1 1 ? -1.507 66.565 -18.403 1.00 32.94 ? ? ? ? ? ? -5 DG C O6 1 -ATOM 15 N N1 . DG A 1 1 ? -1.712 68.193 -19.962 1.00 38.66 ? ? ? ? ? ? -5 DG C N1 1 -ATOM 16 C C2 . DG A 1 1 ? -2.019 68.662 -21.202 1.00 43.52 ? ? ? ? ? ? -5 DG C C2 1 -ATOM 17 N N2 . DG A 1 1 ? -1.892 69.982 -21.387 1.00 40.44 ? ? ? ? ? ? -5 DG C N2 1 -ATOM 18 N N3 . DG A 1 1 ? -2.423 67.893 -22.212 1.00 46.07 ? ? ? ? ? ? -5 DG C N3 1 -ATOM 19 C C4 . DG A 1 1 ? -2.482 66.586 -21.881 1.00 37.80 ? ? ? ? ? ? -5 DG C C4 1 -ATOM 20 P P . DC A 1 2 ? -2.672 65.800 -28.514 1.00 43.99 ? ? ? ? ? ? -4 DC C P 1 -ATOM 21 O OP1 . DC A 1 2 ? -3.635 66.486 -29.432 1.00 41.89 ? ? ? ? ? ? -4 DC C OP1 1 -ATOM 22 O OP2 . DC A 1 2 ? -1.774 64.742 -29.034 1.00 42.54 ? ? ? ? ? ? -4 DC C OP2 1 -ATOM 23 O "O5'" . DC A 1 2 ? -1.839 66.949 -27.763 1.00 49.52 ? ? ? ? ? ? -4 DC C "O5'" 1 -ATOM 24 C "C5'" . DC A 1 2 ? -2.502 68.023 -27.042 1.00 39.42 ? ? ? ? ? ? -4 DC C "C5'" 1 -ATOM 25 C "C4'" . DC A 1 2 ? -2.448 69.314 -27.835 1.00 45.05 ? ? ? ? ? ? -4 DC C "C4'" 1 -ATOM 26 O "O4'" . DC A 1 2 ? -2.052 70.421 -26.997 1.00 38.10 ? ? ? ? ? ? -4 DC C "O4'" 1 -ATOM 27 C "C3'" . DC A 1 2 ? -1.383 69.287 -28.922 1.00 48.10 ? ? ? ? ? ? -4 DC C "C3'" 1 -ATOM 28 O "O3'" . DC A 1 2 ? -1.717 70.209 -29.944 1.00 53.24 ? ? ? ? ? ? -4 DC C "O3'" 1 -ATOM 29 C "C2'" . DC A 1 2 ? -0.129 69.756 -28.208 1.00 50.54 ? ? ? ? ? ? -4 DC C "C2'" 1 -ATOM 30 C "C1'" . DC A 1 2 ? -0.629 70.414 -26.930 1.00 46.09 ? ? ? ? ? ? -4 DC C "C1'" 1 -ATOM 31 N N1 . DC A 1 2 ? -0.270 69.624 -25.759 1.00 45.78 ? ? ? ? ? ? -4 DC C N1 1 -ATOM 32 C C2 . DC A 1 2 ? -0.169 70.270 -24.535 1.00 49.94 ? ? ? ? ? ? -4 DC C C2 1 -ATOM 33 O O2 . DC A 1 2 ? -0.365 71.498 -24.495 1.00 55.00 ? ? ? ? ? ? -4 DC C O2 1 -ATOM 34 N N3 . DC A 1 2 ? 0.137 69.555 -23.425 1.00 45.26 ? ? ? ? ? ? -4 DC C N3 1 -ATOM 35 C C4 . DC A 1 2 ? 0.342 68.242 -23.523 1.00 45.88 ? ? ? ? ? ? -4 DC C C4 1 -ATOM 36 N N4 . DC A 1 2 ? 0.631 67.562 -22.396 1.00 39.63 ? ? ? ? ? ? -4 DC C N4 1 -ATOM 37 C C5 . DC A 1 2 ? 0.257 67.561 -24.780 1.00 47.94 ? ? ? ? ? ? -4 DC C C5 1 -ATOM 38 C C6 . DC A 1 2 ? -0.046 68.283 -25.858 1.00 38.54 ? ? ? ? ? ? -4 DC C C6 1 -ATOM 39 P P . DG A 1 3 ? -1.047 70.066 -31.388 1.00 48.45 ? ? ? ? ? ? -3 DG C P 1 -ATOM 40 O OP1 . DG A 1 3 ? -2.067 70.399 -32.445 1.00 50.01 ? ? ? ? ? ? -3 DG C OP1 1 -ATOM 41 O OP2 . DG A 1 3 ? -0.415 68.728 -31.365 1.00 51.07 ? ? ? ? ? ? -3 DG C OP2 1 -ATOM 42 O "O5'" . DG A 1 3 ? 0.050 71.208 -31.389 1.00 45.60 ? ? ? ? ? ? -3 DG C "O5'" 1 -ATOM 43 C "C5'" . DG A 1 3 ? 1.345 70.968 -30.881 1.00 45.65 ? ? ? ? ? ? -3 DG C "C5'" 1 -ATOM 44 C "C4'" . DG A 1 3 ? 1.892 72.247 -30.307 1.00 48.82 ? ? ? ? ? ? -3 DG C "C4'" 1 -ATOM 45 O "O4'" . DG A 1 3 ? 2.096 72.061 -28.896 1.00 49.02 ? ? ? ? ? ? -3 DG C "O4'" 1 -ATOM 46 C "C3'" . DG A 1 3 ? 3.254 72.610 -30.848 1.00 49.88 ? ? ? ? ? ? -3 DG C "C3'" 1 -ATOM 47 O "O3'" . DG A 1 3 ? 3.435 74.032 -30.679 1.00 50.46 ? ? ? ? ? ? -3 DG C "O3'" 1 -ATOM 48 C "C2'" . DG A 1 3 ? 4.171 71.762 -29.973 1.00 48.77 ? ? ? ? ? ? -3 DG C "C2'" 1 -ATOM 49 C "C1'" . DG A 1 3 ? 3.481 71.831 -28.626 1.00 53.28 ? ? ? ? ? ? -3 DG C "C1'" 1 -ATOM 50 N N9 . DG A 1 3 ? 3.584 70.642 -27.768 1.00 54.83 ? ? ? ? ? ? -3 DG C N9 1 -ATOM 51 C C8 . DG A 1 3 ? 3.540 69.321 -28.143 1.00 49.73 ? ? ? ? ? ? -3 DG C C8 1 -ATOM 52 N N7 . DG A 1 3 ? 3.646 68.501 -27.130 1.00 48.47 ? ? ? ? ? ? -3 DG C N7 1 -ATOM 53 C C5 . DG A 1 3 ? 3.773 69.325 -26.023 1.00 44.64 ? ? ? ? ? ? -3 DG C C5 1 -ATOM 54 C C6 . DG A 1 3 ? 3.926 69.011 -24.665 1.00 40.91 ? ? ? ? ? ? -3 DG C C6 1 -ATOM 55 O O6 . DG A 1 3 ? 4.003 67.922 -24.135 1.00 39.80 ? ? ? ? ? ? -3 DG C O6 1 -ATOM 56 N N1 . DG A 1 3 ? 4.003 70.138 -23.890 1.00 45.45 ? ? ? ? ? ? -3 DG C N1 1 -ATOM 57 C C2 . DG A 1 3 ? 3.958 71.419 -24.353 1.00 43.65 ? ? ? ? ? ? -3 DG C C2 1 -ATOM 58 N N2 . DG A 1 3 ? 4.056 72.375 -23.425 1.00 47.81 ? ? ? ? ? ? -3 DG C N2 1 -ATOM 59 N N3 . DG A 1 3 ? 3.827 71.741 -25.613 1.00 45.65 ? ? ? ? ? ? -3 DG C N3 1 -ATOM 60 C C4 . DG A 1 3 ? 3.738 70.649 -26.393 1.00 49.55 ? ? ? ? ? ? -3 DG C C4 1 -ATOM 61 P P . DA A 1 4 ? 4.300 74.860 -31.757 1.00 52.22 ? ? ? ? ? ? -2 DA C P 1 -ATOM 62 O OP1 . DA A 1 4 ? 3.369 75.612 -32.671 1.00 48.13 ? ? ? ? ? ? -2 DA C OP1 1 -ATOM 63 O OP2 . DA A 1 4 ? 5.338 73.940 -32.351 1.00 46.12 ? ? ? ? ? ? -2 DA C OP2 1 -ATOM 64 O "O5'" . DA A 1 4 ? 5.135 75.903 -30.884 1.00 51.19 ? ? ? ? ? ? -2 DA C "O5'" 1 -ATOM 65 C "C5'" . DA A 1 4 ? 4.504 76.780 -29.973 1.00 42.96 ? ? ? ? ? ? -2 DA C "C5'" 1 -ATOM 66 C "C4'" . DA A 1 4 ? 5.313 76.844 -28.701 1.00 51.90 ? ? ? ? ? ? -2 DA C "C4'" 1 -ATOM 67 O "O4'" . DA A 1 4 ? 5.377 75.524 -28.094 1.00 55.00 ? ? ? ? ? ? -2 DA C "O4'" 1 -ATOM 68 C "C3'" . DA A 1 4 ? 6.766 77.289 -28.867 1.00 49.76 ? ? ? ? ? ? -2 DA C "C3'" 1 -ATOM 69 O "O3'" . DA A 1 4 ? 7.103 78.034 -27.673 1.00 45.65 ? ? ? ? ? ? -2 DA C "O3'" 1 -ATOM 70 C "C2'" . DA A 1 4 ? 7.501 75.950 -28.920 1.00 50.32 ? ? ? ? ? ? -2 DA C "C2'" 1 -ATOM 71 C "C1'" . DA A 1 4 ? 6.726 75.133 -27.892 1.00 51.61 ? ? ? ? ? ? -2 DA C "C1'" 1 -ATOM 72 N N9 . DA A 1 4 ? 6.781 73.667 -28.011 1.00 54.31 ? ? ? ? ? ? -2 DA C N9 1 -ATOM 73 C C8 . DA A 1 4 ? 6.819 72.889 -29.157 1.00 54.67 ? ? ? ? ? ? -2 DA C C8 1 -ATOM 74 N N7 . DA A 1 4 ? 6.846 71.590 -28.921 1.00 47.83 ? ? ? ? ? ? -2 DA C N7 1 -ATOM 75 C C5 . DA A 1 4 ? 6.833 71.505 -27.533 1.00 46.09 ? ? ? ? ? ? -2 DA C C5 1 -ATOM 76 C C6 . DA A 1 4 ? 6.857 70.400 -26.641 1.00 40.88 ? ? ? ? ? ? -2 DA C C6 1 -ATOM 77 N N6 . DA A 1 4 ? 6.890 69.123 -27.018 1.00 40.41 ? ? ? ? ? ? -2 DA C N6 1 -ATOM 78 N N1 . DA A 1 4 ? 6.842 70.664 -25.328 1.00 42.95 ? ? ? ? ? ? -2 DA C N1 1 -ATOM 79 C C2 . DA A 1 4 ? 6.801 71.942 -24.937 1.00 45.27 ? ? ? ? ? ? -2 DA C C2 1 -ATOM 80 N N3 . DA A 1 4 ? 6.775 73.060 -25.664 1.00 40.58 ? ? ? ? ? ? -2 DA C N3 1 -ATOM 81 C C4 . DA A 1 4 ? 6.794 72.775 -26.963 1.00 47.40 ? ? ? ? ? ? -2 DA C C4 1 -ATOM 82 P P . DA A 1 5 ? 8.207 79.196 -27.713 1.00 46.03 ? ? ? ? ? ? -1 DA C P 1 -ATOM 83 O OP1 . DA A 1 5 ? 7.595 80.446 -27.189 1.00 40.78 ? ? ? ? ? ? -1 DA C OP1 1 -ATOM 84 O OP2 . DA A 1 5 ? 8.770 79.127 -29.092 1.00 45.36 ? ? ? ? ? ? -1 DA C OP2 1 -ATOM 85 O "O5'" . DA A 1 5 ? 9.336 78.745 -26.679 1.00 46.41 ? ? ? ? ? ? -1 DA C "O5'" 1 -ATOM 86 C "C5'" . DA A 1 5 ? 9.090 78.817 -25.270 1.00 52.50 ? ? ? ? ? ? -1 DA C "C5'" 1 -ATOM 87 C "C4'" . DA A 1 5 ? 9.985 77.875 -24.475 1.00 47.09 ? ? ? ? ? ? -1 DA C "C4'" 1 -ATOM 88 O "O4'" . DA A 1 5 ? 9.776 76.472 -24.743 1.00 51.83 ? ? ? ? ? ? -1 DA C "O4'" 1 -ATOM 89 C "C3'" . DA A 1 5 ? 11.483 78.094 -24.532 1.00 37.18 ? ? ? ? ? ? -1 DA C "C3'" 1 -ATOM 90 O "O3'" . DA A 1 5 ? 11.827 78.105 -23.191 1.00 39.85 ? ? ? ? ? ? -1 DA C "O3'" 1 -ATOM 91 C "C2'" . DA A 1 5 ? 12.035 76.871 -25.245 1.00 38.58 ? ? ? ? ? ? -1 DA C "C2'" 1 -ATOM 92 C "C1'" . DA A 1 5 ? 11.022 75.795 -24.899 1.00 48.80 ? ? ? ? ? ? -1 DA C "C1'" 1 -ATOM 93 N N9 . DA A 1 5 ? 10.780 74.723 -25.877 1.00 46.32 ? ? ? ? ? ? -1 DA C N9 1 -ATOM 94 C C8 . DA A 1 5 ? 10.462 74.789 -27.210 1.00 51.01 ? ? ? ? ? ? -1 DA C C8 1 -ATOM 95 N N7 . DA A 1 5 ? 10.279 73.613 -27.776 1.00 48.57 ? ? ? ? ? ? -1 DA C N7 1 -ATOM 96 C C5 . DA A 1 5 ? 10.499 72.718 -26.751 1.00 48.85 ? ? ? ? ? ? -1 DA C C5 1 -ATOM 97 C C6 . DA A 1 5 ? 10.431 71.323 -26.688 1.00 48.01 ? ? ? ? ? ? -1 DA C C6 1 -ATOM 98 N N6 . DA A 1 5 ? 10.155 70.530 -27.723 1.00 53.37 ? ? ? ? ? ? -1 DA C N6 1 -ATOM 99 N N1 . DA A 1 5 ? 10.668 70.748 -25.506 1.00 49.06 ? ? ? ? ? ? -1 DA C N1 1 -ATOM 100 C C2 . DA A 1 5 ? 10.966 71.521 -24.456 1.00 51.75 ? ? ? ? ? ? -1 DA C C2 1 -ATOM 101 N N3 . DA A 1 5 ? 11.071 72.840 -24.381 1.00 51.23 ? ? ? ? ? ? -1 DA C N3 1 -ATOM 102 C C4 . DA A 1 5 ? 10.815 73.385 -25.577 1.00 50.45 ? ? ? ? ? ? -1 DA C C4 1 -ATOM 103 P P . DA A 1 6 ? 13.350 78.050 -22.773 1.00 47.45 ? ? ? ? ? ? 1 DA C P 1 -ATOM 104 O OP1 . DA A 1 6 ? 13.469 78.954 -21.582 1.00 45.49 ? ? ? ? ? ? 1 DA C OP1 1 -ATOM 105 O OP2 . DA A 1 6 ? 14.274 78.193 -23.934 1.00 42.50 ? ? ? ? ? ? 1 DA C OP2 1 -ATOM 106 O "O5'" . DA A 1 6 ? 13.498 76.545 -22.326 1.00 48.52 ? ? ? ? ? ? 1 DA C "O5'" 1 -ATOM 107 C "C5'" . DA A 1 6 ? 12.567 75.958 -21.444 1.00 43.66 ? ? ? ? ? ? 1 DA C "C5'" 1 -ATOM 108 C "C4'" . DA A 1 6 ? 13.127 74.642 -20.987 1.00 45.75 ? ? ? ? ? ? 1 DA C "C4'" 1 -ATOM 109 O "O4'" . DA A 1 6 ? 13.034 73.740 -22.116 1.00 39.86 ? ? ? ? ? ? 1 DA C "O4'" 1 -ATOM 110 C "C3'" . DA A 1 6 ? 14.615 74.720 -20.604 1.00 45.30 ? ? ? ? ? ? 1 DA C "C3'" 1 -ATOM 111 O "O3'" . DA A 1 6 ? 14.788 74.066 -19.312 1.00 47.29 ? ? ? ? ? ? 1 DA C "O3'" 1 -ATOM 112 C "C2'" . DA A 1 6 ? 15.331 74.106 -21.803 1.00 40.69 ? ? ? ? ? ? 1 DA C "C2'" 1 -ATOM 113 C "C1'" . DA A 1 6 ? 14.294 73.152 -22.379 1.00 40.17 ? ? ? ? ? ? 1 DA C "C1'" 1 -ATOM 114 N N9 . DA A 1 6 ? 14.311 72.882 -23.814 1.00 43.03 ? ? ? ? ? ? 1 DA C N9 1 -ATOM 115 C C8 . DA A 1 6 ? 14.560 73.738 -24.843 1.00 47.38 ? ? ? ? ? ? 1 DA C C8 1 -ATOM 116 N N7 . DA A 1 6 ? 14.454 73.186 -26.030 1.00 46.14 ? ? ? ? ? ? 1 DA C N7 1 -ATOM 117 C C5 . DA A 1 6 ? 14.118 71.871 -25.758 1.00 42.97 ? ? ? ? ? ? 1 DA C C5 1 -ATOM 118 C C6 . DA A 1 6 ? 13.824 70.756 -26.604 1.00 47.73 ? ? ? ? ? ? 1 DA C C6 1 -ATOM 119 N N6 . DA A 1 6 ? 13.851 70.790 -27.945 1.00 44.81 ? ? ? ? ? ? 1 DA C N6 1 -ATOM 120 N N1 . DA A 1 6 ? 13.494 69.592 -26.006 1.00 51.72 ? ? ? ? ? ? 1 DA C N1 1 -ATOM 121 C C2 . DA A 1 6 ? 13.464 69.553 -24.654 1.00 55.00 ? ? ? ? ? ? 1 DA C C2 1 -ATOM 122 N N3 . DA A 1 6 ? 13.717 70.525 -23.768 1.00 45.64 ? ? ? ? ? ? 1 DA C N3 1 -ATOM 123 C C4 . DA A 1 6 ? 14.039 71.668 -24.393 1.00 43.59 ? ? ? ? ? ? 1 DA C C4 1 -ATOM 124 P P . DA A 1 7 ? 16.253 73.696 -18.748 1.00 45.80 ? ? ? ? ? ? 2 DA C P 1 -ATOM 125 O OP1 . DA A 1 7 ? 16.183 73.492 -17.271 1.00 44.06 ? ? ? ? ? ? 2 DA C OP1 1 -ATOM 126 O OP2 . DA A 1 7 ? 17.314 74.543 -19.344 1.00 42.72 ? ? ? ? ? ? 2 DA C OP2 1 -ATOM 127 O "O5'" . DA A 1 7 ? 16.478 72.240 -19.326 1.00 51.30 ? ? ? ? ? ? 2 DA C "O5'" 1 -ATOM 128 C "C5'" . DA A 1 7 ? 15.493 71.236 -19.112 1.00 47.61 ? ? ? ? ? ? 2 DA C "C5'" 1 -ATOM 129 C "C4'" . DA A 1 7 ? 15.922 69.943 -19.763 1.00 42.19 ? ? ? ? ? ? 2 DA C "C4'" 1 -ATOM 130 O "O4'" . DA A 1 7 ? 15.790 70.056 -21.196 1.00 39.05 ? ? ? ? ? ? 2 DA C "O4'" 1 -ATOM 131 C "C3'" . DA A 1 7 ? 17.371 69.560 -19.486 1.00 34.23 ? ? ? ? ? ? 2 DA C "C3'" 1 -ATOM 132 O "O3'" . DA A 1 7 ? 17.340 68.254 -18.878 1.00 29.13 ? ? ? ? ? ? 2 DA C "O3'" 1 -ATOM 133 C "C2'" . DA A 1 7 ? 18.022 69.640 -20.861 1.00 30.35 ? ? ? ? ? ? 2 DA C "C2'" 1 -ATOM 134 C "C1'" . DA A 1 7 ? 16.863 69.442 -21.807 1.00 30.17 ? ? ? ? ? ? 2 DA C "C1'" 1 -ATOM 135 N N9 . DA A 1 7 ? 17.041 70.086 -23.087 1.00 28.16 ? ? ? ? ? ? 2 DA C N9 1 -ATOM 136 C C8 . DA A 1 7 ? 17.331 71.391 -23.351 1.00 37.58 ? ? ? ? ? ? 2 DA C C8 1 -ATOM 137 N N7 . DA A 1 7 ? 17.451 71.662 -24.618 1.00 35.88 ? ? ? ? ? ? 2 DA C N7 1 -ATOM 138 C C5 . DA A 1 7 ? 17.221 70.435 -25.233 1.00 39.40 ? ? ? ? ? ? 2 DA C C5 1 -ATOM 139 C C6 . DA A 1 7 ? 17.271 70.012 -26.579 1.00 38.39 ? ? ? ? ? ? 2 DA C C6 1 -ATOM 140 N N6 . DA A 1 7 ? 17.514 70.816 -27.604 1.00 42.42 ? ? ? ? ? ? 2 DA C N6 1 -ATOM 141 N N1 . DA A 1 7 ? 17.058 68.710 -26.831 1.00 37.24 ? ? ? ? ? ? 2 DA C N1 1 -ATOM 142 C C2 . DA A 1 7 ? 16.808 67.890 -25.803 1.00 38.70 ? ? ? ? ? ? 2 DA C C2 1 -ATOM 143 N N3 . DA A 1 7 ? 16.734 68.161 -24.520 1.00 34.87 ? ? ? ? ? ? 2 DA C N3 1 -ATOM 144 C C4 . DA A 1 7 ? 16.957 69.467 -24.293 1.00 34.26 ? ? ? ? ? ? 2 DA C C4 1 -ATOM 145 P P . DG A 1 8 ? 18.711 67.431 -18.615 1.00 18.93 ? ? ? ? ? ? 3 DG C P 1 -ATOM 146 O OP1 . DG A 1 8 ? 18.258 66.503 -17.501 1.00 17.51 ? ? ? ? ? ? 3 DG C OP1 1 -ATOM 147 O OP2 . DG A 1 8 ? 19.981 68.214 -18.499 1.00 15.92 ? ? ? ? ? ? 3 DG C OP2 1 -ATOM 148 O "O5'" . DG A 1 8 ? 18.863 66.613 -19.967 1.00 22.62 ? ? ? ? ? ? 3 DG C "O5'" 1 -ATOM 149 C "C5'" . DG A 1 8 ? 17.817 65.715 -20.388 1.00 19.89 ? ? ? ? ? ? 3 DG C "C5'" 1 -ATOM 150 C "C4'" . DG A 1 8 ? 18.278 64.931 -21.585 1.00 10.77 ? ? ? ? ? ? 3 DG C "C4'" 1 -ATOM 151 O "O4'" . DG A 1 8 ? 18.382 65.896 -22.634 1.00 13.32 ? ? ? ? ? ? 3 DG C "O4'" 1 -ATOM 152 C "C3'" . DG A 1 8 ? 19.678 64.313 -21.451 1.00 12.75 ? ? ? ? ? ? 3 DG C "C3'" 1 -ATOM 153 O "O3'" . DG A 1 8 ? 19.583 62.928 -21.708 1.00 14.83 ? ? ? ? ? ? 3 DG C "O3'" 1 -ATOM 154 C "C2'" . DG A 1 8 ? 20.508 65.046 -22.477 1.00 6.00 ? ? ? ? ? ? 3 DG C "C2'" 1 -ATOM 155 C "C1'" . DG A 1 8 ? 19.427 65.526 -23.434 1.00 14.49 ? ? ? ? ? ? 3 DG C "C1'" 1 -ATOM 156 N N9 . DG A 1 8 ? 19.855 66.655 -24.243 1.00 21.27 ? ? ? ? ? ? 3 DG C N9 1 -ATOM 157 C C8 . DG A 1 8 ? 20.562 67.748 -23.802 1.00 30.68 ? ? ? ? ? ? 3 DG C C8 1 -ATOM 158 N N7 . DG A 1 8 ? 20.895 68.569 -24.760 1.00 31.53 ? ? ? ? ? ? 3 DG C N7 1 -ATOM 159 C C5 . DG A 1 8 ? 20.359 67.993 -25.906 1.00 32.34 ? ? ? ? ? ? 3 DG C C5 1 -ATOM 160 C C6 . DG A 1 8 ? 20.455 68.399 -27.280 1.00 31.35 ? ? ? ? ? ? 3 DG C C6 1 -ATOM 161 O O6 . DG A 1 8 ? 21.035 69.435 -27.791 1.00 26.87 ? ? ? ? ? ? 3 DG C O6 1 -ATOM 162 N N1 . DG A 1 8 ? 19.800 67.489 -28.115 1.00 33.43 ? ? ? ? ? ? 3 DG C N1 1 -ATOM 163 C C2 . DG A 1 8 ? 19.146 66.362 -27.705 1.00 35.48 ? ? ? ? ? ? 3 DG C C2 1 -ATOM 164 N N2 . DG A 1 8 ? 18.574 65.651 -28.702 1.00 34.59 ? ? ? ? ? ? 3 DG C N2 1 -ATOM 165 N N3 . DG A 1 8 ? 19.058 65.967 -26.430 1.00 28.62 ? ? ? ? ? ? 3 DG C N3 1 -ATOM 166 C C4 . DG A 1 8 ? 19.686 66.821 -25.596 1.00 23.64 ? ? ? ? ? ? 3 DG C C4 1 -ATOM 167 P P . DT A 1 9 ? 20.899 62.044 -21.929 1.00 17.48 ? ? ? ? ? ? 4 DT C P 1 -ATOM 168 O OP1 . DT A 1 9 ? 20.504 60.642 -21.676 1.00 28.44 ? ? ? ? ? ? 4 DT C OP1 1 -ATOM 169 O OP2 . DT A 1 9 ? 22.214 62.555 -21.389 1.00 21.50 ? ? ? ? ? ? 4 DT C OP2 1 -ATOM 170 O "O5'" . DT A 1 9 ? 21.133 62.257 -23.491 1.00 28.24 ? ? ? ? ? ? 4 DT C "O5'" 1 -ATOM 171 C "C5'" . DT A 1 9 ? 20.299 61.671 -24.463 1.00 17.17 ? ? ? ? ? ? 4 DT C "C5'" 1 -ATOM 172 C "C4'" . DT A 1 9 ? 21.077 61.568 -25.744 1.00 21.82 ? ? ? ? ? ? 4 DT C "C4'" 1 -ATOM 173 O "O4'" . DT A 1 9 ? 21.197 62.933 -26.189 1.00 25.33 ? ? ? ? ? ? 4 DT C "O4'" 1 -ATOM 174 C "C3'" . DT A 1 9 ? 22.517 61.030 -25.571 1.00 24.78 ? ? ? ? ? ? 4 DT C "C3'" 1 -ATOM 175 O "O3'" . DT A 1 9 ? 22.744 59.961 -26.509 1.00 19.15 ? ? ? ? ? ? 4 DT C "O3'" 1 -ATOM 176 C "C2'" . DT A 1 9 ? 23.425 62.234 -25.783 1.00 22.80 ? ? ? ? ? ? 4 DT C "C2'" 1 -ATOM 177 C "C1'" . DT A 1 9 ? 22.531 63.164 -26.598 1.00 26.79 ? ? ? ? ? ? 4 DT C "C1'" 1 -ATOM 178 N N1 . DT A 1 9 ? 22.802 64.613 -26.484 1.00 27.98 ? ? ? ? ? ? 4 DT C N1 1 -ATOM 179 C C2 . DT A 1 9 ? 22.857 65.297 -27.679 1.00 23.63 ? ? ? ? ? ? 4 DT C C2 1 -ATOM 180 O O2 . DT A 1 9 ? 22.666 64.738 -28.745 1.00 29.11 ? ? ? ? ? ? 4 DT C O2 1 -ATOM 181 N N3 . DT A 1 9 ? 23.139 66.653 -27.586 1.00 18.52 ? ? ? ? ? ? 4 DT C N3 1 -ATOM 182 C C4 . DT A 1 9 ? 23.365 67.368 -26.418 1.00 26.60 ? ? ? ? ? ? 4 DT C C4 1 -ATOM 183 O O4 . DT A 1 9 ? 23.613 68.594 -26.490 1.00 18.40 ? ? ? ? ? ? 4 DT C O4 1 -ATOM 184 C C5 . DT A 1 9 ? 23.281 66.557 -25.168 1.00 15.09 ? ? ? ? ? ? 4 DT C C5 1 -ATOM 185 C C7 . DT A 1 9 ? 23.523 67.217 -23.857 1.00 17.01 ? ? ? ? ? ? 4 DT C C7 1 -ATOM 186 C C6 . DT A 1 9 ? 23.003 65.249 -25.272 1.00 21.89 ? ? ? ? ? ? 4 DT C C6 1 -ATOM 187 P P . DG A 1 10 ? 24.220 59.323 -26.711 1.00 25.35 ? ? ? ? ? ? 5 DG C P 1 -ATOM 188 O OP1 . DG A 1 10 ? 23.806 57.932 -26.932 1.00 24.62 ? ? ? ? ? ? 5 DG C OP1 1 -ATOM 189 O OP2 . DG A 1 10 ? 25.315 59.649 -25.757 1.00 23.48 ? ? ? ? ? ? 5 DG C OP2 1 -ATOM 190 O "O5'" . DG A 1 10 ? 24.653 59.869 -28.138 1.00 32.80 ? ? ? ? ? ? 5 DG C "O5'" 1 -ATOM 191 C "C5'" . DG A 1 10 ? 23.752 59.614 -29.225 1.00 36.50 ? ? ? ? ? ? 5 DG C "C5'" 1 -ATOM 192 C "C4'" . DG A 1 10 ? 24.415 59.818 -30.556 1.00 25.94 ? ? ? ? ? ? 5 DG C "C4'" 1 -ATOM 193 O "O4'" . DG A 1 10 ? 24.753 61.197 -30.595 1.00 28.89 ? ? ? ? ? ? 5 DG C "O4'" 1 -ATOM 194 C "C3'" . DG A 1 10 ? 25.685 59.022 -30.785 1.00 34.63 ? ? ? ? ? ? 5 DG C "C3'" 1 -ATOM 195 O "O3'" . DG A 1 10 ? 25.620 58.394 -32.092 1.00 32.43 ? ? ? ? ? ? 5 DG C "O3'" 1 -ATOM 196 C "C2'" . DG A 1 10 ? 26.799 60.023 -30.503 1.00 33.78 ? ? ? ? ? ? 5 DG C "C2'" 1 -ATOM 197 C "C1'" . DG A 1 10 ? 26.143 61.394 -30.612 1.00 35.99 ? ? ? ? ? ? 5 DG C "C1'" 1 -ATOM 198 N N9 . DG A 1 10 ? 26.408 62.369 -29.558 1.00 40.06 ? ? ? ? ? ? 5 DG C N9 1 -ATOM 199 C C8 . DG A 1 10 ? 26.645 62.115 -28.231 1.00 35.11 ? ? ? ? ? ? 5 DG C C8 1 -ATOM 200 N N7 . DG A 1 10 ? 26.819 63.202 -27.521 1.00 33.83 ? ? ? ? ? ? 5 DG C N7 1 -ATOM 201 C C5 . DG A 1 10 ? 26.690 64.246 -28.429 1.00 37.23 ? ? ? ? ? ? 5 DG C C5 1 -ATOM 202 C C6 . DG A 1 10 ? 26.781 65.665 -28.231 1.00 33.12 ? ? ? ? ? ? 5 DG C C6 1 -ATOM 203 O O6 . DG A 1 10 ? 26.979 66.277 -27.196 1.00 36.14 ? ? ? ? ? ? 5 DG C O6 1 -ATOM 204 N N1 . DG A 1 10 ? 26.610 66.365 -29.415 1.00 35.63 ? ? ? ? ? ? 5 DG C N1 1 -ATOM 205 C C2 . DG A 1 10 ? 26.384 65.789 -30.646 1.00 38.08 ? ? ? ? ? ? 5 DG C C2 1 -ATOM 206 N N2 . DG A 1 10 ? 26.275 66.639 -31.649 1.00 35.21 ? ? ? ? ? ? 5 DG C N2 1 -ATOM 207 N N3 . DG A 1 10 ? 26.281 64.466 -30.863 1.00 37.93 ? ? ? ? ? ? 5 DG C N3 1 -ATOM 208 C C4 . DG A 1 10 ? 26.445 63.757 -29.704 1.00 41.91 ? ? ? ? ? ? 5 DG C C4 1 -ATOM 209 P P . DT A 1 11 ? 26.965 58.071 -32.910 1.00 40.56 ? ? ? ? ? ? 6 DT C P 1 -ATOM 210 O OP1 . DT A 1 11 ? 26.564 57.966 -34.310 1.00 35.20 ? ? ? ? ? ? 6 DT C OP1 1 -ATOM 211 O OP2 . DT A 1 11 ? 27.790 56.985 -32.319 1.00 36.00 ? ? ? ? ? ? 6 DT C OP2 1 -ATOM 212 O "O5'" . DT A 1 11 ? 27.764 59.412 -32.739 1.00 33.05 ? ? ? ? ? ? 6 DT C "O5'" 1 -ATOM 213 C "C5'" . DT A 1 11 ? 27.400 60.519 -33.495 1.00 25.39 ? ? ? ? ? ? 6 DT C "C5'" 1 -ATOM 214 C "C4'" . DT A 1 11 ? 28.601 60.978 -34.243 1.00 33.42 ? ? ? ? ? ? 6 DT C "C4'" 1 -ATOM 215 O "O4'" . DT A 1 11 ? 29.078 62.130 -33.549 1.00 33.86 ? ? ? ? ? ? 6 DT C "O4'" 1 -ATOM 216 C "C3'" . DT A 1 11 ? 29.747 59.969 -34.226 1.00 43.29 ? ? ? ? ? ? 6 DT C "C3'" 1 -ATOM 217 O "O3'" . DT A 1 11 ? 30.483 60.179 -35.440 1.00 54.14 ? ? ? ? ? ? 6 DT C "O3'" 1 -ATOM 218 C "C2'" . DT A 1 11 ? 30.549 60.369 -32.992 1.00 37.21 ? ? ? ? ? ? 6 DT C "C2'" 1 -ATOM 219 C "C1'" . DT A 1 11 ? 30.302 61.878 -32.866 1.00 37.56 ? ? ? ? ? ? 6 DT C "C1'" 1 -ATOM 220 N N1 . DT A 1 11 ? 30.084 62.366 -31.495 1.00 38.76 ? ? ? ? ? ? 6 DT C N1 1 -ATOM 221 C C2 . DT A 1 11 ? 29.879 63.727 -31.286 1.00 38.07 ? ? ? ? ? ? 6 DT C C2 1 -ATOM 222 O O2 . DT A 1 11 ? 29.906 64.568 -32.164 1.00 37.79 ? ? ? ? ? ? 6 DT C O2 1 -ATOM 223 N N3 . DT A 1 11 ? 29.643 64.073 -29.991 1.00 42.06 ? ? ? ? ? ? 6 DT C N3 1 -ATOM 224 C C4 . DT A 1 11 ? 29.600 63.230 -28.901 1.00 43.79 ? ? ? ? ? ? 6 DT C C4 1 -ATOM 225 O O4 . DT A 1 11 ? 29.371 63.699 -27.790 1.00 42.64 ? ? ? ? ? ? 6 DT C O4 1 -ATOM 226 C C5 . DT A 1 11 ? 29.841 61.814 -29.195 1.00 42.21 ? ? ? ? ? ? 6 DT C C5 1 -ATOM 227 C C7 . DT A 1 11 ? 29.822 60.814 -28.086 1.00 42.65 ? ? ? ? ? ? 6 DT C C7 1 -ATOM 228 C C6 . DT A 1 11 ? 30.069 61.470 -30.457 1.00 37.01 ? ? ? ? ? ? 6 DT C C6 1 -ATOM 229 P P . DG A 1 12 ? 31.343 59.002 -36.098 1.00 53.86 ? ? ? ? ? ? 7 DG C P 1 -ATOM 230 O OP1 . DG A 1 12 ? 31.126 59.181 -37.584 1.00 47.74 ? ? ? ? ? ? 7 DG C OP1 1 -ATOM 231 O OP2 . DG A 1 12 ? 31.029 57.678 -35.465 1.00 55.00 ? ? ? ? ? ? 7 DG C OP2 1 -ATOM 232 O "O5'" . DG A 1 12 ? 32.825 59.451 -35.688 1.00 52.23 ? ? ? ? ? ? 7 DG C "O5'" 1 -ATOM 233 C "C5'" . DG A 1 12 ? 33.372 60.676 -36.214 1.00 51.25 ? ? ? ? ? ? 7 DG C "C5'" 1 -ATOM 234 C "C4'" . DG A 1 12 ? 34.721 61.016 -35.603 1.00 50.70 ? ? ? ? ? ? 7 DG C "C4'" 1 -ATOM 235 O "O4'" . DG A 1 12 ? 34.534 61.717 -34.355 1.00 49.07 ? ? ? ? ? ? 7 DG C "O4'" 1 -ATOM 236 C "C3'" . DG A 1 12 ? 35.666 59.854 -35.291 1.00 53.77 ? ? ? ? ? ? 7 DG C "C3'" 1 -ATOM 237 O "O3'" . DG A 1 12 ? 37.034 60.280 -35.526 1.00 50.25 ? ? ? ? ? ? 7 DG C "O3'" 1 -ATOM 238 C "C2'" . DG A 1 12 ? 35.403 59.617 -33.808 1.00 54.16 ? ? ? ? ? ? 7 DG C "C2'" 1 -ATOM 239 C "C1'" . DG A 1 12 ? 35.221 61.043 -33.315 1.00 52.84 ? ? ? ? ? ? 7 DG C "C1'" 1 -ATOM 240 N N9 . DG A 1 12 ? 34.427 61.208 -32.107 1.00 49.18 ? ? ? ? ? ? 7 DG C N9 1 -ATOM 241 C C8 . DG A 1 12 ? 33.357 60.460 -31.688 1.00 49.23 ? ? ? ? ? ? 7 DG C C8 1 -ATOM 242 N N7 . DG A 1 12 ? 32.859 60.885 -30.559 1.00 49.36 ? ? ? ? ? ? 7 DG C N7 1 -ATOM 243 C C5 . DG A 1 12 ? 33.658 61.972 -30.223 1.00 45.61 ? ? ? ? ? ? 7 DG C C5 1 -ATOM 244 C C6 . DG A 1 12 ? 33.595 62.855 -29.120 1.00 43.93 ? ? ? ? ? ? 7 DG C C6 1 -ATOM 245 O O6 . DG A 1 12 ? 32.817 62.849 -28.181 1.00 48.29 ? ? ? ? ? ? 7 DG C O6 1 -ATOM 246 N N1 . DG A 1 12 ? 34.572 63.828 -29.184 1.00 48.24 ? ? ? ? ? ? 7 DG C N1 1 -ATOM 247 C C2 . DG A 1 12 ? 35.501 63.943 -30.187 1.00 51.08 ? ? ? ? ? ? 7 DG C C2 1 -ATOM 248 N N2 . DG A 1 12 ? 36.385 64.954 -30.084 1.00 48.89 ? ? ? ? ? ? 7 DG C N2 1 -ATOM 249 N N3 . DG A 1 12 ? 35.566 63.129 -31.218 1.00 51.58 ? ? ? ? ? ? 7 DG C N3 1 -ATOM 250 C C4 . DG A 1 12 ? 34.622 62.174 -31.171 1.00 45.71 ? ? ? ? ? ? 7 DG C C4 1 -ATOM 251 P P . DA A 1 13 ? 38.033 59.370 -36.407 1.00 50.53 ? ? ? ? ? ? 8 DA C P 1 -ATOM 252 O OP1 . DA A 1 13 ? 37.594 59.400 -37.818 1.00 54.92 ? ? ? ? ? ? 8 DA C OP1 1 -ATOM 253 O OP2 . DA A 1 13 ? 38.282 58.052 -35.740 1.00 48.74 ? ? ? ? ? ? 8 DA C OP2 1 -ATOM 254 O "O5'" . DA A 1 13 ? 39.371 60.212 -36.338 1.00 53.18 ? ? ? ? ? ? 8 DA C "O5'" 1 -ATOM 255 C "C5'" . DA A 1 13 ? 39.365 61.593 -36.705 1.00 48.77 ? ? ? ? ? ? 8 DA C "C5'" 1 -ATOM 256 C "C4'" . DA A 1 13 ? 40.338 62.376 -35.849 1.00 50.89 ? ? ? ? ? ? 8 DA C "C4'" 1 -ATOM 257 O "O4'" . DA A 1 13 ? 39.680 62.759 -34.612 1.00 54.00 ? ? ? ? ? ? 8 DA C "O4'" 1 -ATOM 258 C "C3'" . DA A 1 13 ? 41.610 61.600 -35.469 1.00 49.06 ? ? ? ? ? ? 8 DA C "C3'" 1 -ATOM 259 O "O3'" . DA A 1 13 ? 42.807 62.293 -35.881 1.00 50.06 ? ? ? ? ? ? 8 DA C "O3'" 1 -ATOM 260 C "C2'" . DA A 1 13 ? 41.509 61.350 -33.967 1.00 49.82 ? ? ? ? ? ? 8 DA C "C2'" 1 -ATOM 261 C "C1'" . DA A 1 13 ? 40.409 62.289 -33.477 1.00 49.02 ? ? ? ? ? ? 8 DA C "C1'" 1 -ATOM 262 N N9 . DA A 1 13 ? 39.451 61.633 -32.614 1.00 42.96 ? ? ? ? ? ? 8 DA C N9 1 -ATOM 263 C C8 . DA A 1 13 ? 38.713 60.510 -32.851 1.00 44.89 ? ? ? ? ? ? 8 DA C C8 1 -ATOM 264 N N7 . DA A 1 13 ? 37.921 60.181 -31.860 1.00 46.16 ? ? ? ? ? ? 8 DA C N7 1 -ATOM 265 C C5 . DA A 1 13 ? 38.160 61.165 -30.899 1.00 47.10 ? ? ? ? ? ? 8 DA C C5 1 -ATOM 266 C C6 . DA A 1 13 ? 37.648 61.391 -29.589 1.00 41.87 ? ? ? ? ? ? 8 DA C C6 1 -ATOM 267 N N6 . DA A 1 13 ? 36.742 60.623 -28.960 1.00 44.15 ? ? ? ? ? ? 8 DA C N6 1 -ATOM 268 N N1 . DA A 1 13 ? 38.122 62.460 -28.929 1.00 47.70 ? ? ? ? ? ? 8 DA C N1 1 -ATOM 269 C C2 . DA A 1 13 ? 39.055 63.243 -29.525 1.00 49.80 ? ? ? ? ? ? 8 DA C C2 1 -ATOM 270 N N3 . DA A 1 13 ? 39.609 63.127 -30.722 1.00 43.83 ? ? ? ? ? ? 8 DA C N3 1 -ATOM 271 C C4 . DA A 1 13 ? 39.109 62.061 -31.364 1.00 44.77 ? ? ? ? ? ? 8 DA C C4 1 -ATOM 272 P P . DC A 1 14 ? 43.209 63.711 -35.215 1.00 55.00 ? ? ? ? ? ? 9 DC C P 1 -ATOM 273 O OP1 . DC A 1 14 ? 42.187 64.272 -34.220 1.00 45.38 ? ? ? ? ? ? 9 DC C OP1 1 -ATOM 274 O OP2 . DC A 1 14 ? 43.640 64.570 -36.356 1.00 55.00 ? ? ? ? ? ? 9 DC C OP2 1 -ATOM 275 O "O5'" . DC A 1 14 ? 44.591 63.333 -34.488 1.00 55.00 ? ? ? ? ? ? 9 DC C "O5'" 1 -ATOM 276 C "C5'" . DC A 1 14 ? 44.629 62.522 -33.292 1.00 55.00 ? ? ? ? ? ? 9 DC C "C5'" 1 -ATOM 277 C "C4'" . DC A 1 14 ? 44.806 63.399 -32.071 1.00 55.00 ? ? ? ? ? ? 9 DC C "C4'" 1 -ATOM 278 O "O4'" . DC A 1 14 ? 43.485 63.682 -31.530 1.00 55.00 ? ? ? ? ? ? 9 DC C "O4'" 1 -ATOM 279 C "C3'" . DC A 1 14 ? 45.575 62.759 -30.908 1.00 55.00 ? ? ? ? ? ? 9 DC C "C3'" 1 -ATOM 280 O "O3'" . DC A 1 14 ? 47.034 62.836 -30.939 1.00 51.34 ? ? ? ? ? ? 9 DC C "O3'" 1 -ATOM 281 C "C2'" . DC A 1 14 ? 45.014 63.518 -29.719 1.00 53.94 ? ? ? ? ? ? 9 DC C "C2'" 1 -ATOM 282 C "C1'" . DC A 1 14 ? 43.543 63.632 -30.101 1.00 55.00 ? ? ? ? ? ? 9 DC C "C1'" 1 -ATOM 283 N N1 . DC A 1 14 ? 42.749 62.473 -29.677 1.00 53.80 ? ? ? ? ? ? 9 DC C N1 1 -ATOM 284 C C2 . DC A 1 14 ? 41.948 62.577 -28.531 1.00 55.00 ? ? ? ? ? ? 9 DC C C2 1 -ATOM 285 O O2 . DC A 1 14 ? 41.933 63.659 -27.875 1.00 51.65 ? ? ? ? ? ? 9 DC C O2 1 -ATOM 286 N N3 . DC A 1 14 ? 41.209 61.505 -28.160 1.00 55.00 ? ? ? ? ? ? 9 DC C N3 1 -ATOM 287 C C4 . DC A 1 14 ? 41.251 60.373 -28.874 1.00 51.33 ? ? ? ? ? ? 9 DC C C4 1 -ATOM 288 N N4 . DC A 1 14 ? 40.490 59.342 -28.467 1.00 50.82 ? ? ? ? ? ? 9 DC C N4 1 -ATOM 289 C C5 . DC A 1 14 ? 42.063 60.246 -30.030 1.00 47.38 ? ? ? ? ? ? 9 DC C C5 1 -ATOM 290 C C6 . DC A 1 14 ? 42.788 61.309 -30.393 1.00 50.58 ? ? ? ? ? ? 9 DC C C6 1 -ATOM 291 O "O5'" . DA B 2 1 ? 47.624 63.612 -28.260 1.00 40.15 ? ? ? ? ? ? 10 DA D "O5'" 1 -ATOM 292 C "C5'" . DA B 2 1 ? 47.713 64.975 -27.773 1.00 41.23 ? ? ? ? ? ? 10 DA D "C5'" 1 -ATOM 293 C "C4'" . DA B 2 1 ? 46.511 65.414 -26.963 1.00 41.91 ? ? ? ? ? ? 10 DA D "C4'" 1 -ATOM 294 O "O4'" . DA B 2 1 ? 45.415 64.503 -27.278 1.00 34.07 ? ? ? ? ? ? 10 DA D "O4'" 1 -ATOM 295 C "C3'" . DA B 2 1 ? 46.730 65.371 -25.439 1.00 41.10 ? ? ? ? ? ? 10 DA D "C3'" 1 -ATOM 296 O "O3'" . DA B 2 1 ? 46.210 66.592 -24.792 1.00 47.10 ? ? ? ? ? ? 10 DA D "O3'" 1 -ATOM 297 C "C2'" . DA B 2 1 ? 45.982 64.101 -25.023 1.00 41.97 ? ? ? ? ? ? 10 DA D "C2'" 1 -ATOM 298 C "C1'" . DA B 2 1 ? 44.923 63.855 -26.101 1.00 38.41 ? ? ? ? ? ? 10 DA D "C1'" 1 -ATOM 299 N N9 . DA B 2 1 ? 44.675 62.435 -26.414 1.00 38.72 ? ? ? ? ? ? 10 DA D N9 1 -ATOM 300 C C8 . DA B 2 1 ? 45.173 61.679 -27.472 1.00 40.02 ? ? ? ? ? ? 10 DA D C8 1 -ATOM 301 N N7 . DA B 2 1 ? 44.754 60.422 -27.482 1.00 39.04 ? ? ? ? ? ? 10 DA D N7 1 -ATOM 302 C C5 . DA B 2 1 ? 43.933 60.329 -26.356 1.00 40.81 ? ? ? ? ? ? 10 DA D C5 1 -ATOM 303 C C6 . DA B 2 1 ? 43.157 59.246 -25.793 1.00 40.05 ? ? ? ? ? ? 10 DA D C6 1 -ATOM 304 N N6 . DA B 2 1 ? 43.119 58.008 -26.271 1.00 40.66 ? ? ? ? ? ? 10 DA D N6 1 -ATOM 305 N N1 . DA B 2 1 ? 42.421 59.506 -24.697 1.00 40.43 ? ? ? ? ? ? 10 DA D N1 1 -ATOM 306 C C2 . DA B 2 1 ? 42.460 60.760 -24.175 1.00 41.52 ? ? ? ? ? ? 10 DA D C2 1 -ATOM 307 N N3 . DA B 2 1 ? 43.150 61.851 -24.587 1.00 42.57 ? ? ? ? ? ? 10 DA D N3 1 -ATOM 308 C C4 . DA B 2 1 ? 43.872 61.570 -25.689 1.00 42.70 ? ? ? ? ? ? 10 DA D C4 1 -ATOM 309 P P . DT B 2 2 ? 46.893 67.211 -23.404 1.00 55.00 ? ? ? ? ? ? 11 DT D P 1 -ATOM 310 O OP1 . DT B 2 2 ? 46.017 68.337 -22.865 1.00 42.80 ? ? ? ? ? ? 11 DT D OP1 1 -ATOM 311 O OP2 . DT B 2 2 ? 48.380 67.461 -23.583 1.00 51.84 ? ? ? ? ? ? 11 DT D OP2 1 -ATOM 312 O "O5'" . DT B 2 2 ? 46.747 66.066 -22.299 1.00 53.94 ? ? ? ? ? ? 11 DT D "O5'" 1 -ATOM 313 C "C5'" . DT B 2 2 ? 45.460 65.552 -21.952 1.00 52.33 ? ? ? ? ? ? 11 DT D "C5'" 1 -ATOM 314 C "C4'" . DT B 2 2 ? 45.559 64.731 -20.697 1.00 44.09 ? ? ? ? ? ? 11 DT D "C4'" 1 -ATOM 315 O "O4'" . DT B 2 2 ? 45.421 63.329 -20.962 1.00 45.97 ? ? ? ? ? ? 11 DT D "O4'" 1 -ATOM 316 C "C3'" . DT B 2 2 ? 46.866 64.880 -19.959 1.00 46.39 ? ? ? ? ? ? 11 DT D "C3'" 1 -ATOM 317 O "O3'" . DT B 2 2 ? 46.407 64.961 -18.616 1.00 41.22 ? ? ? ? ? ? 11 DT D "O3'" 1 -ATOM 318 C "C2'" . DT B 2 2 ? 47.680 63.644 -20.388 1.00 40.78 ? ? ? ? ? ? 11 DT D "C2'" 1 -ATOM 319 C "C1'" . DT B 2 2 ? 46.633 62.582 -20.733 1.00 43.45 ? ? ? ? ? ? 11 DT D "C1'" 1 -ATOM 320 N N1 . DT B 2 2 ? 46.771 61.687 -21.943 1.00 38.73 ? ? ? ? ? ? 11 DT D N1 1 -ATOM 321 C C2 . DT B 2 2 ? 45.775 60.732 -22.043 1.00 40.38 ? ? ? ? ? ? 11 DT D C2 1 -ATOM 322 O O2 . DT B 2 2 ? 44.912 60.601 -21.210 1.00 45.18 ? ? ? ? ? ? 11 DT D O2 1 -ATOM 323 N N3 . DT B 2 2 ? 45.812 59.921 -23.163 1.00 44.88 ? ? ? ? ? ? 11 DT D N3 1 -ATOM 324 C C4 . DT B 2 2 ? 46.732 59.959 -24.189 1.00 48.90 ? ? ? ? ? ? 11 DT D C4 1 -ATOM 325 O O4 . DT B 2 2 ? 46.609 59.153 -25.135 1.00 51.75 ? ? ? ? ? ? 11 DT D O4 1 -ATOM 326 C C5 . DT B 2 2 ? 47.782 60.975 -24.031 1.00 50.82 ? ? ? ? ? ? 11 DT D C5 1 -ATOM 327 C C7 . DT B 2 2 ? 48.832 61.097 -25.085 1.00 46.89 ? ? ? ? ? ? 11 DT D C7 1 -ATOM 328 C C6 . DT B 2 2 ? 47.752 61.775 -22.920 1.00 48.86 ? ? ? ? ? ? 11 DT D C6 1 -ATOM 329 P P . DA B 2 3 ? 47.427 65.166 -17.409 1.00 44.05 ? ? ? ? ? ? 12 DA D P 1 -ATOM 330 O OP1 . DA B 2 3 ? 46.773 66.296 -16.675 1.00 51.19 ? ? ? ? ? ? 12 DA D OP1 1 -ATOM 331 O OP2 . DA B 2 3 ? 48.846 65.290 -17.819 1.00 39.32 ? ? ? ? ? ? 12 DA D OP2 1 -ATOM 332 O "O5'" . DA B 2 3 ? 47.222 63.798 -16.631 1.00 41.66 ? ? ? ? ? ? 12 DA D "O5'" 1 -ATOM 333 C "C5'" . DA B 2 3 ? 45.897 63.395 -16.308 1.00 42.93 ? ? ? ? ? ? 12 DA D "C5'" 1 -ATOM 334 C "C4'" . DA B 2 3 ? 45.846 61.943 -15.907 1.00 40.30 ? ? ? ? ? ? 12 DA D "C4'" 1 -ATOM 335 O "O4'" . DA B 2 3 ? 46.015 61.104 -17.065 1.00 38.86 ? ? ? ? ? ? 12 DA D "O4'" 1 -ATOM 336 C "C3'" . DA B 2 3 ? 46.886 61.483 -14.878 1.00 36.09 ? ? ? ? ? ? 12 DA D "C3'" 1 -ATOM 337 O "O3'" . DA B 2 3 ? 46.159 60.565 -14.029 1.00 39.85 ? ? ? ? ? ? 12 DA D "O3'" 1 -ATOM 338 C "C2'" . DA B 2 3 ? 47.912 60.794 -15.755 1.00 29.38 ? ? ? ? ? ? 12 DA D "C2'" 1 -ATOM 339 C "C1'" . DA B 2 3 ? 46.982 60.146 -16.754 1.00 33.47 ? ? ? ? ? ? 12 DA D "C1'" 1 -ATOM 340 N N9 . DA B 2 3 ? 47.602 59.720 -17.989 1.00 37.85 ? ? ? ? ? ? 12 DA D N9 1 -ATOM 341 C C8 . DA B 2 3 ? 48.522 60.341 -18.785 1.00 43.89 ? ? ? ? ? ? 12 DA D C8 1 -ATOM 342 N N7 . DA B 2 3 ? 48.875 59.629 -19.823 1.00 41.94 ? ? ? ? ? ? 12 DA D N7 1 -ATOM 343 C C5 . DA B 2 3 ? 48.122 58.462 -19.688 1.00 44.73 ? ? ? ? ? ? 12 DA D C5 1 -ATOM 344 C C6 . DA B 2 3 ? 48.045 57.276 -20.442 1.00 50.44 ? ? ? ? ? ? 12 DA D C6 1 -ATOM 345 N N6 . DA B 2 3 ? 48.771 57.045 -21.548 1.00 55.00 ? ? ? ? ? ? 12 DA D N6 1 -ATOM 346 N N1 . DA B 2 3 ? 47.195 56.316 -20.021 1.00 43.24 ? ? ? ? ? ? 12 DA D N1 1 -ATOM 347 C C2 . DA B 2 3 ? 46.503 56.525 -18.937 1.00 46.08 ? ? ? ? ? ? 12 DA D C2 1 -ATOM 348 N N3 . DA B 2 3 ? 46.498 57.577 -18.141 1.00 48.18 ? ? ? ? ? ? 12 DA D N3 1 -ATOM 349 C C4 . DA B 2 3 ? 47.339 58.519 -18.579 1.00 37.62 ? ? ? ? ? ? 12 DA D C4 1 -ATOM 350 P P . DT B 2 4 ? 46.630 60.215 -12.517 1.00 37.63 ? ? ? ? ? ? 13 DT D P 1 -ATOM 351 O OP1 . DT B 2 4 ? 45.320 60.118 -11.796 1.00 40.97 ? ? ? ? ? ? 13 DT D OP1 1 -ATOM 352 O OP2 . DT B 2 4 ? 47.701 61.144 -11.966 1.00 22.15 ? ? ? ? ? ? 13 DT D OP2 1 -ATOM 353 O "O5'" . DT B 2 4 ? 47.057 58.681 -12.665 1.00 29.87 ? ? ? ? ? ? 13 DT D "O5'" 1 -ATOM 354 C "C5'" . DT B 2 4 ? 46.044 57.752 -13.089 1.00 23.04 ? ? ? ? ? ? 13 DT D "C5'" 1 -ATOM 355 C "C4'" . DT B 2 4 ? 46.589 56.352 -13.196 1.00 33.54 ? ? ? ? ? ? 13 DT D "C4'" 1 -ATOM 356 O "O4'" . DT B 2 4 ? 46.901 56.124 -14.582 1.00 27.11 ? ? ? ? ? ? 13 DT D "O4'" 1 -ATOM 357 C "C3'" . DT B 2 4 ? 47.851 56.097 -12.374 1.00 31.73 ? ? ? ? ? ? 13 DT D "C3'" 1 -ATOM 358 O "O3'" . DT B 2 4 ? 47.609 55.118 -11.307 1.00 32.77 ? ? ? ? ? ? 13 DT D "O3'" 1 -ATOM 359 C "C2'" . DT B 2 4 ? 48.917 55.748 -13.394 1.00 26.91 ? ? ? ? ? ? 13 DT D "C2'" 1 -ATOM 360 C "C1'" . DT B 2 4 ? 48.162 55.533 -14.709 1.00 37.09 ? ? ? ? ? ? 13 DT D "C1'" 1 -ATOM 361 N N1 . DT B 2 4 ? 48.866 56.080 -15.935 1.00 37.48 ? ? ? ? ? ? 13 DT D N1 1 -ATOM 362 C C2 . DT B 2 4 ? 48.681 55.389 -17.089 1.00 36.31 ? ? ? ? ? ? 13 DT D C2 1 -ATOM 363 O O2 . DT B 2 4 ? 47.917 54.437 -17.143 1.00 29.73 ? ? ? ? ? ? 13 DT D O2 1 -ATOM 364 N N3 . DT B 2 4 ? 49.412 55.865 -18.187 1.00 39.84 ? ? ? ? ? ? 13 DT D N3 1 -ATOM 365 C C4 . DT B 2 4 ? 50.278 56.982 -18.213 1.00 33.61 ? ? ? ? ? ? 13 DT D C4 1 -ATOM 366 O O4 . DT B 2 4 ? 50.897 57.290 -19.284 1.00 29.75 ? ? ? ? ? ? 13 DT D O4 1 -ATOM 367 C C5 . DT B 2 4 ? 50.371 57.686 -16.944 1.00 32.94 ? ? ? ? ? ? 13 DT D C5 1 -ATOM 368 C C7 . DT B 2 4 ? 51.219 58.911 -16.841 1.00 30.73 ? ? ? ? ? ? 13 DT D C7 1 -ATOM 369 C C6 . DT B 2 4 ? 49.678 57.204 -15.897 1.00 32.29 ? ? ? ? ? ? 13 DT D C6 1 -ATOM 370 P P . DG B 2 5 ? 48.141 53.580 -11.406 1.00 34.52 ? ? ? ? ? ? 14 DG D P 1 -ATOM 371 O OP1 . DG B 2 5 ? 47.664 52.986 -10.144 1.00 43.03 ? ? ? ? ? ? 14 DG D OP1 1 -ATOM 372 O OP2 . DG B 2 5 ? 49.567 53.367 -11.832 1.00 34.75 ? ? ? ? ? ? 14 DG D OP2 1 -ATOM 373 O "O5'" . DG B 2 5 ? 47.186 52.961 -12.492 1.00 34.22 ? ? ? ? ? ? 14 DG D "O5'" 1 -ATOM 374 C "C5'" . DG B 2 5 ? 46.685 51.656 -12.361 1.00 20.60 ? ? ? ? ? ? 14 DG D "C5'" 1 -ATOM 375 C "C4'" . DG B 2 5 ? 47.259 50.790 -13.454 1.00 33.01 ? ? ? ? ? ? 14 DG D "C4'" 1 -ATOM 376 O "O4'" . DG B 2 5 ? 47.979 51.564 -14.462 1.00 35.41 ? ? ? ? ? ? 14 DG D "O4'" 1 -ATOM 377 C "C3'" . DG B 2 5 ? 48.234 49.764 -12.908 1.00 29.23 ? ? ? ? ? ? 14 DG D "C3'" 1 -ATOM 378 O "O3'" . DG B 2 5 ? 47.763 48.513 -13.393 1.00 35.76 ? ? ? ? ? ? 14 DG D "O3'" 1 -ATOM 379 C "C2'" . DG B 2 5 ? 49.564 50.178 -13.524 1.00 25.97 ? ? ? ? ? ? 14 DG D "C2'" 1 -ATOM 380 C "C1'" . DG B 2 5 ? 49.192 50.926 -14.789 1.00 28.17 ? ? ? ? ? ? 14 DG D "C1'" 1 -ATOM 381 N N9 . DG B 2 5 ? 50.184 51.952 -15.100 1.00 34.28 ? ? ? ? ? ? 14 DG D N9 1 -ATOM 382 C C8 . DG B 2 5 ? 50.616 52.906 -14.226 1.00 34.34 ? ? ? ? ? ? 14 DG D C8 1 -ATOM 383 N N7 . DG B 2 5 ? 51.520 53.693 -14.740 1.00 39.87 ? ? ? ? ? ? 14 DG D N7 1 -ATOM 384 C C5 . DG B 2 5 ? 51.701 53.232 -16.042 1.00 35.52 ? ? ? ? ? ? 14 DG D C5 1 -ATOM 385 C C6 . DG B 2 5 ? 52.591 53.677 -17.075 1.00 39.91 ? ? ? ? ? ? 14 DG D C6 1 -ATOM 386 O O6 . DG B 2 5 ? 53.418 54.608 -17.053 1.00 55.00 ? ? ? ? ? ? 14 DG D O6 1 -ATOM 387 N N1 . DG B 2 5 ? 52.481 52.928 -18.241 1.00 39.09 ? ? ? ? ? ? 14 DG D N1 1 -ATOM 388 C C2 . DG B 2 5 ? 51.646 51.909 -18.417 1.00 44.38 ? ? ? ? ? ? 14 DG D C2 1 -ATOM 389 N N2 . DG B 2 5 ? 51.727 51.366 -19.660 1.00 29.85 ? ? ? ? ? ? 14 DG D N2 1 -ATOM 390 N N3 . DG B 2 5 ? 50.800 51.453 -17.458 1.00 45.72 ? ? ? ? ? ? 14 DG D N3 1 -ATOM 391 C C4 . DG B 2 5 ? 50.888 52.170 -16.300 1.00 35.90 ? ? ? ? ? ? 14 DG D C4 1 -ATOM 392 P P . DT B 2 6 ? 48.194 47.114 -12.700 1.00 35.88 ? ? ? ? ? ? 15 DT D P 1 -ATOM 393 O OP1 . DT B 2 6 ? 46.932 46.335 -12.890 1.00 37.64 ? ? ? ? ? ? 15 DT D OP1 1 -ATOM 394 O OP2 . DT B 2 6 ? 48.824 47.131 -11.354 1.00 25.79 ? ? ? ? ? ? 15 DT D OP2 1 -ATOM 395 O "O5'" . DT B 2 6 ? 49.325 46.567 -13.699 1.00 32.23 ? ? ? ? ? ? 15 DT D "O5'" 1 -ATOM 396 C "C5'" . DT B 2 6 ? 49.189 46.644 -15.134 1.00 31.46 ? ? ? ? ? ? 15 DT D "C5'" 1 -ATOM 397 C "C4'" . DT B 2 6 ? 50.328 45.904 -15.799 1.00 34.61 ? ? ? ? ? ? 15 DT D "C4'" 1 -ATOM 398 O "O4'" . DT B 2 6 ? 51.295 46.824 -16.398 1.00 25.68 ? ? ? ? ? ? 15 DT D "O4'" 1 -ATOM 399 C "C3'" . DT B 2 6 ? 51.103 45.072 -14.788 1.00 31.64 ? ? ? ? ? ? 15 DT D "C3'" 1 -ATOM 400 O "O3'" . DT B 2 6 ? 51.522 43.854 -15.422 1.00 40.68 ? ? ? ? ? ? 15 DT D "O3'" 1 -ATOM 401 C "C2'" . DT B 2 6 ? 52.257 45.992 -14.432 1.00 32.75 ? ? ? ? ? ? 15 DT D "C2'" 1 -ATOM 402 C "C1'" . DT B 2 6 ? 52.526 46.775 -15.722 1.00 28.85 ? ? ? ? ? ? 15 DT D "C1'" 1 -ATOM 403 N N1 . DT B 2 6 ? 53.037 48.171 -15.524 1.00 30.96 ? ? ? ? ? ? 15 DT D N1 1 -ATOM 404 C C2 . DT B 2 6 ? 53.943 48.681 -16.421 1.00 32.87 ? ? ? ? ? ? 15 DT D C2 1 -ATOM 405 O O2 . DT B 2 6 ? 54.319 48.061 -17.399 1.00 35.12 ? ? ? ? ? ? 15 DT D O2 1 -ATOM 406 N N3 . DT B 2 6 ? 54.391 49.968 -16.132 1.00 30.06 ? ? ? ? ? ? 15 DT D N3 1 -ATOM 407 C C4 . DT B 2 6 ? 54.000 50.779 -15.053 1.00 34.39 ? ? ? ? ? ? 15 DT D C4 1 -ATOM 408 O O4 . DT B 2 6 ? 54.480 51.930 -14.885 1.00 32.34 ? ? ? ? ? ? 15 DT D O4 1 -ATOM 409 C C5 . DT B 2 6 ? 53.046 50.202 -14.198 1.00 29.25 ? ? ? ? ? ? 15 DT D C5 1 -ATOM 410 C C7 . DT B 2 6 ? 52.557 51.028 -13.072 1.00 23.55 ? ? ? ? ? ? 15 DT D C7 1 -ATOM 411 C C6 . DT B 2 6 ? 52.619 48.941 -14.450 1.00 36.88 ? ? ? ? ? ? 15 DT D C6 1 -ATOM 412 P P . DC B 2 7 ? 51.886 42.548 -14.537 1.00 47.56 ? ? ? ? ? ? 16 DC D P 1 -ATOM 413 O OP1 . DC B 2 7 ? 50.930 41.546 -15.049 1.00 52.01 ? ? ? ? ? ? 16 DC D OP1 1 -ATOM 414 O OP2 . DC B 2 7 ? 51.911 42.850 -13.066 1.00 39.57 ? ? ? ? ? ? 16 DC D OP2 1 -ATOM 415 O "O5'" . DC B 2 7 ? 53.354 42.173 -15.069 1.00 43.85 ? ? ? ? ? ? 16 DC D "O5'" 1 -ATOM 416 C "C5'" . DC B 2 7 ? 53.968 43.038 -16.048 1.00 45.50 ? ? ? ? ? ? 16 DC D "C5'" 1 -ATOM 417 C "C4'" . DC B 2 7 ? 55.329 42.566 -16.521 1.00 41.40 ? ? ? ? ? ? 16 DC D "C4'" 1 -ATOM 418 O "O4'" . DC B 2 7 ? 55.842 43.779 -17.142 1.00 40.11 ? ? ? ? ? ? 16 DC D "O4'" 1 -ATOM 419 C "C3'" . DC B 2 7 ? 56.379 42.159 -15.469 1.00 42.83 ? ? ? ? ? ? 16 DC D "C3'" 1 -ATOM 420 O "O3'" . DC B 2 7 ? 56.617 40.705 -15.443 1.00 50.50 ? ? ? ? ? ? 16 DC D "O3'" 1 -ATOM 421 C "C2'" . DC B 2 7 ? 57.626 42.945 -15.872 1.00 43.83 ? ? ? ? ? ? 16 DC D "C2'" 1 -ATOM 422 C "C1'" . DC B 2 7 ? 57.063 44.199 -16.542 1.00 43.62 ? ? ? ? ? ? 16 DC D "C1'" 1 -ATOM 423 N N1 . DC B 2 7 ? 56.781 45.377 -15.651 1.00 48.11 ? ? ? ? ? ? 16 DC D N1 1 -ATOM 424 C C2 . DC B 2 7 ? 56.961 46.695 -16.157 1.00 49.75 ? ? ? ? ? ? 16 DC D C2 1 -ATOM 425 O O2 . DC B 2 7 ? 57.343 46.843 -17.334 1.00 52.85 ? ? ? ? ? ? 16 DC D O2 1 -ATOM 426 N N3 . DC B 2 7 ? 56.705 47.765 -15.344 1.00 47.43 ? ? ? ? ? ? 16 DC D N3 1 -ATOM 427 C C4 . DC B 2 7 ? 56.288 47.569 -14.094 1.00 47.79 ? ? ? ? ? ? 16 DC D C4 1 -ATOM 428 N N4 . DC B 2 7 ? 56.049 48.633 -13.353 1.00 48.62 ? ? ? ? ? ? 16 DC D N4 1 -ATOM 429 C C5 . DC B 2 7 ? 56.097 46.262 -13.551 1.00 48.58 ? ? ? ? ? ? 16 DC D C5 1 -ATOM 430 C C6 . DC B 2 7 ? 56.351 45.207 -14.352 1.00 47.19 ? ? ? ? ? ? 16 DC D C6 1 -ATOM 431 P P . DA B 2 8 ? 57.265 39.990 -14.116 1.00 50.88 ? ? ? ? ? ? 17 DA D P 1 -ATOM 432 O OP1 . DA B 2 8 ? 57.140 38.503 -14.120 1.00 52.42 ? ? ? ? ? ? 17 DA D OP1 1 -ATOM 433 O OP2 . DA B 2 8 ? 56.800 40.755 -12.911 1.00 53.33 ? ? ? ? ? ? 17 DA D OP2 1 -ATOM 434 O "O5'" . DA B 2 8 ? 58.823 40.250 -14.254 1.00 47.97 ? ? ? ? ? ? 17 DA D "O5'" 1 -ATOM 435 C "C5'" . DA B 2 8 ? 59.486 40.108 -15.506 1.00 50.60 ? ? ? ? ? ? 17 DA D "C5'" 1 -ATOM 436 C "C4'" . DA B 2 8 ? 60.971 40.244 -15.279 1.00 54.94 ? ? ? ? ? ? 17 DA D "C4'" 1 -ATOM 437 O "O4'" . DA B 2 8 ? 61.309 41.644 -15.121 1.00 53.71 ? ? ? ? ? ? 17 DA D "O4'" 1 -ATOM 438 C "C3'" . DA B 2 8 ? 61.360 39.544 -13.981 1.00 51.07 ? ? ? ? ? ? 17 DA D "C3'" 1 -ATOM 439 O "O3'" . DA B 2 8 ? 62.073 38.361 -14.358 1.00 55.00 ? ? ? ? ? ? 17 DA D "O3'" 1 -ATOM 440 C "C2'" . DA B 2 8 ? 62.175 40.569 -13.204 1.00 47.55 ? ? ? ? ? ? 17 DA D "C2'" 1 -ATOM 441 C "C1'" . DA B 2 8 ? 61.807 41.915 -13.816 1.00 50.35 ? ? ? ? ? ? 17 DA D "C1'" 1 -ATOM 442 N N9 . DA B 2 8 ? 60.813 42.765 -13.133 1.00 53.31 ? ? ? ? ? ? 17 DA D N9 1 -ATOM 443 C C8 . DA B 2 8 ? 59.602 42.451 -12.564 1.00 51.71 ? ? ? ? ? ? 17 DA D C8 1 -ATOM 444 N N7 . DA B 2 8 ? 58.974 43.490 -12.051 1.00 48.20 ? ? ? ? ? ? 17 DA D N7 1 -ATOM 445 C C5 . DA B 2 8 ? 59.828 44.558 -12.296 1.00 49.79 ? ? ? ? ? ? 17 DA D C5 1 -ATOM 446 C C6 . DA B 2 8 ? 59.745 45.973 -12.026 1.00 48.14 ? ? ? ? ? ? 17 DA D C6 1 -ATOM 447 N N6 . DA B 2 8 ? 58.717 46.617 -11.406 1.00 53.16 ? ? ? ? ? ? 17 DA D N6 1 -ATOM 448 N N1 . DA B 2 8 ? 60.784 46.730 -12.432 1.00 50.75 ? ? ? ? ? ? 17 DA D N1 1 -ATOM 449 C C2 . DA B 2 8 ? 61.818 46.140 -13.058 1.00 55.00 ? ? ? ? ? ? 17 DA D C2 1 -ATOM 450 N N3 . DA B 2 8 ? 62.003 44.864 -13.366 1.00 55.00 ? ? ? ? ? ? 17 DA D N3 1 -ATOM 451 C C4 . DA B 2 8 ? 60.967 44.120 -12.956 1.00 53.56 ? ? ? ? ? ? 17 DA D C4 1 -ATOM 452 P P . DC B 2 9 ? 62.881 37.531 -13.257 1.00 55.00 ? ? ? ? ? ? 18 DC D P 1 -ATOM 453 O OP1 . DC B 2 9 ? 63.806 36.569 -13.918 1.00 55.00 ? ? ? ? ? ? 18 DC D OP1 1 -ATOM 454 O OP2 . DC B 2 9 ? 61.792 37.023 -12.363 1.00 55.00 ? ? ? ? ? ? 18 DC D OP2 1 -ATOM 455 O "O5'" . DC B 2 9 ? 63.725 38.668 -12.481 1.00 55.00 ? ? ? ? ? ? 18 DC D "O5'" 1 -ATOM 456 C "C5'" . DC B 2 9 ? 64.720 39.484 -13.160 1.00 55.00 ? ? ? ? ? ? 18 DC D "C5'" 1 -ATOM 457 C "C4'" . DC B 2 9 ? 65.301 40.571 -12.257 1.00 55.00 ? ? ? ? ? ? 18 DC D "C4'" 1 -ATOM 458 O "O4'" . DC B 2 9 ? 64.345 41.579 -11.831 1.00 55.00 ? ? ? ? ? ? 18 DC D "O4'" 1 -ATOM 459 C "C3'" . DC B 2 9 ? 66.076 40.169 -10.994 1.00 55.00 ? ? ? ? ? ? 18 DC D "C3'" 1 -ATOM 460 O "O3'" . DC B 2 9 ? 67.376 40.771 -11.129 1.00 55.00 ? ? ? ? ? ? 18 DC D "O3'" 1 -ATOM 461 C "C2'" . DC B 2 9 ? 65.303 40.845 -9.857 1.00 51.99 ? ? ? ? ? ? 18 DC D "C2'" 1 -ATOM 462 C "C1'" . DC B 2 9 ? 64.743 42.076 -10.550 1.00 55.00 ? ? ? ? ? ? 18 DC D "C1'" 1 -ATOM 463 N N1 . DC B 2 9 ? 63.562 42.707 -9.910 1.00 55.00 ? ? ? ? ? ? 18 DC D N1 1 -ATOM 464 C C2 . DC B 2 9 ? 63.568 44.106 -9.608 1.00 51.80 ? ? ? ? ? ? 18 DC D C2 1 -ATOM 465 O O2 . DC B 2 9 ? 64.563 44.800 -9.870 1.00 52.18 ? ? ? ? ? ? 18 DC D O2 1 -ATOM 466 N N3 . DC B 2 9 ? 62.487 44.665 -9.035 1.00 49.03 ? ? ? ? ? ? 18 DC D N3 1 -ATOM 467 C C4 . DC B 2 9 ? 61.425 43.911 -8.750 1.00 55.00 ? ? ? ? ? ? 18 DC D C4 1 -ATOM 468 N N4 . DC B 2 9 ? 60.380 44.507 -8.169 1.00 55.00 ? ? ? ? ? ? 18 DC D N4 1 -ATOM 469 C C5 . DC B 2 9 ? 61.388 42.509 -9.043 1.00 54.12 ? ? ? ? ? ? 18 DC D C5 1 -ATOM 470 C C6 . DC B 2 9 ? 62.465 41.955 -9.613 1.00 53.62 ? ? ? ? ? ? 18 DC D C6 1 -ATOM 471 P P . DA B 2 10 ? 68.687 40.114 -10.431 1.00 55.00 ? ? ? ? ? ? 19 DA D P 1 -ATOM 472 O OP1 . DA B 2 10 ? 69.500 39.617 -11.583 1.00 55.00 ? ? ? ? ? ? 19 DA D OP1 1 -ATOM 473 O OP2 . DA B 2 10 ? 68.295 39.146 -9.339 1.00 55.00 ? ? ? ? ? ? 19 DA D OP2 1 -ATOM 474 O "O5'" . DA B 2 10 ? 69.436 41.395 -9.753 1.00 55.00 ? ? ? ? ? ? 19 DA D "O5'" 1 -ATOM 475 C "C5'" . DA B 2 10 ? 70.018 42.508 -10.539 1.00 55.00 ? ? ? ? ? ? 19 DA D "C5'" 1 -ATOM 476 C "C4'" . DA B 2 10 ? 70.291 43.743 -9.682 1.00 51.18 ? ? ? ? ? ? 19 DA D "C4'" 1 -ATOM 477 O "O4'" . DA B 2 10 ? 69.052 44.281 -9.155 1.00 50.47 ? ? ? ? ? ? 19 DA D "O4'" 1 -ATOM 478 C "C3'" . DA B 2 10 ? 71.180 43.592 -8.442 1.00 53.79 ? ? ? ? ? ? 19 DA D "C3'" 1 -ATOM 479 O "O3'" . DA B 2 10 ? 71.855 44.860 -8.195 1.00 50.52 ? ? ? ? ? ? 19 DA D "O3'" 1 -ATOM 480 C "C2'" . DA B 2 10 ? 70.168 43.222 -7.356 1.00 45.35 ? ? ? ? ? ? 19 DA D "C2'" 1 -ATOM 481 C "C1'" . DA B 2 10 ? 68.963 44.086 -7.718 1.00 47.95 ? ? ? ? ? ? 19 DA D "C1'" 1 -ATOM 482 N N9 . DA B 2 10 ? 67.600 43.579 -7.403 1.00 47.99 ? ? ? ? ? ? 19 DA D N9 1 -ATOM 483 C C8 . DA B 2 10 ? 67.112 42.280 -7.331 1.00 43.37 ? ? ? ? ? ? 19 DA D C8 1 -ATOM 484 N N7 . DA B 2 10 ? 65.819 42.211 -7.053 1.00 42.86 ? ? ? ? ? ? 19 DA D N7 1 -ATOM 485 C C5 . DA B 2 10 ? 65.434 43.543 -6.932 1.00 46.50 ? ? ? ? ? ? 19 DA D C5 1 -ATOM 486 C C6 . DA B 2 10 ? 64.194 44.152 -6.688 1.00 43.94 ? ? ? ? ? ? 19 DA D C6 1 -ATOM 487 N N6 . DA B 2 10 ? 63.060 43.485 -6.494 1.00 46.00 ? ? ? ? ? ? 19 DA D N6 1 -ATOM 488 N N1 . DA B 2 10 ? 64.149 45.503 -6.651 1.00 47.67 ? ? ? ? ? ? 19 DA D N1 1 -ATOM 489 C C2 . DA B 2 10 ? 65.282 46.199 -6.845 1.00 46.77 ? ? ? ? ? ? 19 DA D C2 1 -ATOM 490 N N3 . DA B 2 10 ? 66.496 45.750 -7.088 1.00 55.00 ? ? ? ? ? ? 19 DA D N3 1 -ATOM 491 C C4 . DA B 2 10 ? 66.513 44.396 -7.127 1.00 51.00 ? ? ? ? ? ? 19 DA D C4 1 -ATOM 492 P P . DC B 2 11 ? 71.782 45.583 -6.725 1.00 55.00 ? ? ? ? ? ? 20 DC D P 1 -ATOM 493 O OP1 . DC B 2 11 ? 72.849 46.633 -6.709 1.00 50.91 ? ? ? ? ? ? 20 DC D OP1 1 -ATOM 494 O OP2 . DC B 2 11 ? 71.733 44.569 -5.607 1.00 54.46 ? ? ? ? ? ? 20 DC D OP2 1 -ATOM 495 O "O5'" . DC B 2 11 ? 70.374 46.362 -6.683 1.00 54.73 ? ? ? ? ? ? 20 DC D "O5'" 1 -ATOM 496 C "C5'" . DC B 2 11 ? 70.238 47.710 -7.197 1.00 54.18 ? ? ? ? ? ? 20 DC D "C5'" 1 -ATOM 497 C "C4'" . DC B 2 11 ? 69.470 48.622 -6.247 1.00 55.00 ? ? ? ? ? ? 20 DC D "C4'" 1 -ATOM 498 O "O4'" . DC B 2 11 ? 68.151 48.087 -5.925 1.00 55.00 ? ? ? ? ? ? 20 DC D "O4'" 1 -ATOM 499 C "C3'" . DC B 2 11 ? 70.163 48.947 -4.917 1.00 55.00 ? ? ? ? ? ? 20 DC D "C3'" 1 -ATOM 500 O "O3'" . DC B 2 11 ? 70.024 50.339 -4.587 1.00 55.00 ? ? ? ? ? ? 20 DC D "O3'" 1 -ATOM 501 C "C2'" . DC B 2 11 ? 69.410 48.117 -3.899 1.00 55.00 ? ? ? ? ? ? 20 DC D "C2'" 1 -ATOM 502 C "C1'" . DC B 2 11 ? 68.015 47.916 -4.509 1.00 55.00 ? ? ? ? ? ? 20 DC D "C1'" 1 -ATOM 503 N N1 . DC B 2 11 ? 67.541 46.535 -4.230 1.00 55.00 ? ? ? ? ? ? 20 DC D N1 1 -ATOM 504 C C2 . DC B 2 11 ? 66.580 46.357 -3.257 1.00 54.91 ? ? ? ? ? ? 20 DC D C2 1 -ATOM 505 O O2 . DC B 2 11 ? 66.142 47.354 -2.675 1.00 54.11 ? ? ? ? ? ? 20 DC D O2 1 -ATOM 506 N N3 . DC B 2 11 ? 66.146 45.093 -2.962 1.00 53.87 ? ? ? ? ? ? 20 DC D N3 1 -ATOM 507 C C4 . DC B 2 11 ? 66.654 44.033 -3.611 1.00 52.79 ? ? ? ? ? ? 20 DC D C4 1 -ATOM 508 N N4 . DC B 2 11 ? 66.201 42.805 -3.284 1.00 46.47 ? ? ? ? ? ? 20 DC D N4 1 -ATOM 509 C C5 . DC B 2 11 ? 67.639 44.185 -4.619 1.00 53.77 ? ? ? ? ? ? 20 DC D C5 1 -ATOM 510 C C6 . DC B 2 11 ? 68.050 45.443 -4.900 1.00 55.00 ? ? ? ? ? ? 20 DC D C6 1 -ATOM 511 P P . DT B 2 12 ? 71.349 51.237 -4.340 1.00 55.00 ? ? ? ? ? ? 21 DT D P 1 -ATOM 512 O OP1 . DT B 2 12 ? 71.080 52.675 -4.656 1.00 55.00 ? ? ? ? ? ? 21 DT D OP1 1 -ATOM 513 O OP2 . DT B 2 12 ? 72.436 50.523 -5.060 1.00 55.00 ? ? ? ? ? ? 21 DT D OP2 1 -ATOM 514 O "O5'" . DT B 2 12 ? 71.581 51.181 -2.754 1.00 55.00 ? ? ? ? ? ? 21 DT D "O5'" 1 -ATOM 515 C "C5'" . DT B 2 12 ? 70.648 50.509 -1.877 1.00 55.00 ? ? ? ? ? ? 21 DT D "C5'" 1 -ATOM 516 C "C4'" . DT B 2 12 ? 69.353 51.288 -1.725 1.00 53.47 ? ? ? ? ? ? 21 DT D "C4'" 1 -ATOM 517 O "O4'" . DT B 2 12 ? 68.269 50.356 -1.985 1.00 45.29 ? ? ? ? ? ? 21 DT D "O4'" 1 -ATOM 518 C "C3'" . DT B 2 12 ? 69.132 51.821 -0.294 1.00 50.57 ? ? ? ? ? ? 21 DT D "C3'" 1 -ATOM 519 O "O3'" . DT B 2 12 ? 68.418 53.056 -0.162 1.00 48.03 ? ? ? ? ? ? 21 DT D "O3'" 1 -ATOM 520 C "C2'" . DT B 2 12 ? 68.217 50.815 0.360 1.00 44.89 ? ? ? ? ? ? 21 DT D "C2'" 1 -ATOM 521 C "C1'" . DT B 2 12 ? 67.470 50.164 -0.793 1.00 52.73 ? ? ? ? ? ? 21 DT D "C1'" 1 -ATOM 522 N N1 . DT B 2 12 ? 67.497 48.771 -0.422 1.00 51.45 ? ? ? ? ? ? 21 DT D N1 1 -ATOM 523 C C2 . DT B 2 12 ? 66.672 48.363 0.611 1.00 54.31 ? ? ? ? ? ? 21 DT D C2 1 -ATOM 524 O O2 . DT B 2 12 ? 65.925 49.113 1.192 1.00 52.35 ? ? ? ? ? ? 21 DT D O2 1 -ATOM 525 N N3 . DT B 2 12 ? 66.763 47.051 0.943 1.00 53.29 ? ? ? ? ? ? 21 DT D N3 1 -ATOM 526 C C4 . DT B 2 12 ? 67.578 46.118 0.362 1.00 55.00 ? ? ? ? ? ? 21 DT D C4 1 -ATOM 527 O O4 . DT B 2 12 ? 67.545 44.972 0.776 1.00 52.90 ? ? ? ? ? ? 21 DT D O4 1 -ATOM 528 C C5 . DT B 2 12 ? 68.436 46.620 -0.742 1.00 55.00 ? ? ? ? ? ? 21 DT D C5 1 -ATOM 529 C C7 . DT B 2 12 ? 69.384 45.692 -1.451 1.00 55.00 ? ? ? ? ? ? 21 DT D C7 1 -ATOM 530 C C6 . DT B 2 12 ? 68.333 47.908 -1.067 1.00 55.00 ? ? ? ? ? ? 21 DT D C6 1 -ATOM 531 P P . DT B 2 13 ? 68.253 53.679 1.316 1.00 49.59 ? ? ? ? ? ? 22 DT D P 1 -ATOM 532 O OP1 . DT B 2 13 ? 68.957 54.996 1.229 1.00 53.20 ? ? ? ? ? ? 22 DT D OP1 1 -ATOM 533 O OP2 . DT B 2 13 ? 68.737 52.641 2.294 1.00 52.51 ? ? ? ? ? ? 22 DT D OP2 1 -ATOM 534 O "O5'" . DT B 2 13 ? 66.702 53.944 1.661 1.00 45.11 ? ? ? ? ? ? 22 DT D "O5'" 1 -ATOM 535 C "C5'" . DT B 2 13 ? 65.685 52.982 1.408 1.00 43.34 ? ? ? ? ? ? 22 DT D "C5'" 1 -ATOM 536 C "C4'" . DT B 2 13 ? 65.109 52.358 2.669 1.00 37.37 ? ? ? ? ? ? 22 DT D "C4'" 1 -ATOM 537 O "O4'" . DT B 2 13 ? 65.516 50.978 2.621 1.00 47.19 ? ? ? ? ? ? 22 DT D "O4'" 1 -ATOM 538 C "C3'" . DT B 2 13 ? 65.387 52.816 4.118 1.00 36.43 ? ? ? ? ? ? 22 DT D "C3'" 1 -ATOM 539 O "O3'" . DT B 2 13 ? 64.163 52.776 4.859 1.00 28.16 ? ? ? ? ? ? 22 DT D "O3'" 1 -ATOM 540 C "C2'" . DT B 2 13 ? 66.218 51.675 4.691 1.00 41.19 ? ? ? ? ? ? 22 DT D "C2'" 1 -ATOM 541 C "C1'" . DT B 2 13 ? 65.635 50.506 3.941 1.00 46.69 ? ? ? ? ? ? 22 DT D "C1'" 1 -ATOM 542 N N1 . DT B 2 13 ? 66.456 49.288 3.912 1.00 47.59 ? ? ? ? ? ? 22 DT D N1 1 -ATOM 543 C C2 . DT B 2 13 ? 65.896 48.140 4.438 1.00 45.60 ? ? ? ? ? ? 22 DT D C2 1 -ATOM 544 O O2 . DT B 2 13 ? 64.774 48.110 4.905 1.00 41.73 ? ? ? ? ? ? 22 DT D O2 1 -ATOM 545 N N3 . DT B 2 13 ? 66.697 47.032 4.397 1.00 41.54 ? ? ? ? ? ? 22 DT D N3 1 -ATOM 546 C C4 . DT B 2 13 ? 67.978 46.954 3.893 1.00 44.41 ? ? ? ? ? ? 22 DT D C4 1 -ATOM 547 O O4 . DT B 2 13 ? 68.587 45.869 3.937 1.00 37.35 ? ? ? ? ? ? 22 DT D O4 1 -ATOM 548 C C5 . DT B 2 13 ? 68.506 48.214 3.342 1.00 49.96 ? ? ? ? ? ? 22 DT D C5 1 -ATOM 549 C C7 . DT B 2 13 ? 69.886 48.243 2.759 1.00 44.67 ? ? ? ? ? ? 22 DT D C7 1 -ATOM 550 C C6 . DT B 2 13 ? 67.723 49.298 3.384 1.00 46.06 ? ? ? ? ? ? 22 DT D C6 1 -ATOM 551 P P . DT B 2 14 ? 64.136 53.102 6.438 1.00 30.14 ? ? ? ? ? ? 23 DT D P 1 -ATOM 552 O OP1 . DT B 2 14 ? 63.002 53.996 6.721 1.00 33.73 ? ? ? ? ? ? 23 DT D OP1 1 -ATOM 553 O OP2 . DT B 2 14 ? 65.479 53.374 7.043 1.00 26.43 ? ? ? ? ? ? 23 DT D OP2 1 -ATOM 554 O "O5'" . DT B 2 14 ? 63.574 51.803 7.119 1.00 32.66 ? ? ? ? ? ? 23 DT D "O5'" 1 -ATOM 555 C "C5'" . DT B 2 14 ? 62.265 51.408 6.852 1.00 27.71 ? ? ? ? ? ? 23 DT D "C5'" 1 -ATOM 556 C "C4'" . DT B 2 14 ? 62.073 50.019 7.381 1.00 29.70 ? ? ? ? ? ? 23 DT D "C4'" 1 -ATOM 557 O "O4'" . DT B 2 14 ? 63.121 49.183 6.843 1.00 27.87 ? ? ? ? ? ? 23 DT D "O4'" 1 -ATOM 558 C "C3'" . DT B 2 14 ? 62.231 49.961 8.896 1.00 29.01 ? ? ? ? ? ? 23 DT D "C3'" 1 -ATOM 559 O "O3'" . DT B 2 14 ? 61.095 49.263 9.374 1.00 28.89 ? ? ? ? ? ? 23 DT D "O3'" 1 -ATOM 560 C "C2'" . DT B 2 14 ? 63.515 49.178 9.113 1.00 25.76 ? ? ? ? ? ? 23 DT D "C2'" 1 -ATOM 561 C "C1'" . DT B 2 14 ? 63.553 48.330 7.869 1.00 28.79 ? ? ? ? ? ? 23 DT D "C1'" 1 -ATOM 562 N N1 . DT B 2 14 ? 64.885 47.842 7.529 1.00 23.69 ? ? ? ? ? ? 23 DT D N1 1 -ATOM 563 C C2 . DT B 2 14 ? 65.082 46.487 7.441 1.00 25.02 ? ? ? ? ? ? 23 DT D C2 1 -ATOM 564 O O2 . DT B 2 14 ? 64.187 45.652 7.618 1.00 21.80 ? ? ? ? ? ? 23 DT D O2 1 -ATOM 565 N N3 . DT B 2 14 ? 66.342 46.121 7.152 1.00 13.78 ? ? ? ? ? ? 23 DT D N3 1 -ATOM 566 C C4 . DT B 2 14 ? 67.397 46.933 6.966 1.00 25.71 ? ? ? ? ? ? 23 DT D C4 1 -ATOM 567 O O4 . DT B 2 14 ? 68.498 46.449 6.756 1.00 21.25 ? ? ? ? ? ? 23 DT D O4 1 -ATOM 568 C C5 . DT B 2 14 ? 67.123 48.343 7.050 1.00 29.34 ? ? ? ? ? ? 23 DT D C5 1 -ATOM 569 C C7 . DT B 2 14 ? 68.238 49.322 6.829 1.00 27.25 ? ? ? ? ? ? 23 DT D C7 1 -ATOM 570 C C6 . DT B 2 14 ? 65.889 48.719 7.324 1.00 27.44 ? ? ? ? ? ? 23 DT D C6 1 -ATOM 571 P P . DT B 2 15 ? 60.906 48.976 10.950 1.00 45.19 ? ? ? ? ? ? 24 DT D P 1 -ATOM 572 O OP1 . DT B 2 15 ? 59.441 49.265 11.231 1.00 39.14 ? ? ? ? ? ? 24 DT D OP1 1 -ATOM 573 O OP2 . DT B 2 15 ? 61.973 49.682 11.755 1.00 35.46 ? ? ? ? ? ? 24 DT D OP2 1 -ATOM 574 O "O5'" . DT B 2 15 ? 61.155 47.400 11.043 1.00 41.50 ? ? ? ? ? ? 24 DT D "O5'" 1 -ATOM 575 C "C5'" . DT B 2 15 ? 60.261 46.509 10.396 1.00 47.88 ? ? ? ? ? ? 24 DT D "C5'" 1 -ATOM 576 C "C4'" . DT B 2 15 ? 60.825 45.111 10.372 1.00 47.86 ? ? ? ? ? ? 24 DT D "C4'" 1 -ATOM 577 O "O4'" . DT B 2 15 ? 62.109 45.167 9.716 1.00 52.37 ? ? ? ? ? ? 24 DT D "O4'" 1 -ATOM 578 C "C3'" . DT B 2 15 ? 61.119 44.541 11.751 1.00 46.21 ? ? ? ? ? ? 24 DT D "C3'" 1 -ATOM 579 O "O3'" . DT B 2 15 ? 59.989 43.851 12.280 1.00 40.45 ? ? ? ? ? ? 24 DT D "O3'" 1 -ATOM 580 C "C2'" . DT B 2 15 ? 62.247 43.566 11.481 1.00 48.38 ? ? ? ? ? ? 24 DT D "C2'" 1 -ATOM 581 C "C1'" . DT B 2 15 ? 62.933 44.136 10.258 1.00 48.35 ? ? ? ? ? ? 24 DT D "C1'" 1 -ATOM 582 N N1 . DT B 2 15 ? 64.276 44.682 10.479 1.00 44.35 ? ? ? ? ? ? 24 DT D N1 1 -ATOM 583 C C2 . DT B 2 15 ? 65.343 43.799 10.361 1.00 46.14 ? ? ? ? ? ? 24 DT D C2 1 -ATOM 584 O O2 . DT B 2 15 ? 65.233 42.588 10.132 1.00 43.07 ? ? ? ? ? ? 24 DT D O2 1 -ATOM 585 N N3 . DT B 2 15 ? 66.555 44.381 10.526 1.00 49.95 ? ? ? ? ? ? 24 DT D N3 1 -ATOM 586 C C4 . DT B 2 15 ? 66.807 45.733 10.814 1.00 42.83 ? ? ? ? ? ? 24 DT D C4 1 -ATOM 587 O O4 . DT B 2 15 ? 67.958 46.144 10.939 1.00 37.01 ? ? ? ? ? ? 24 DT D O4 1 -ATOM 588 C C5 . DT B 2 15 ? 65.681 46.569 10.948 1.00 50.44 ? ? ? ? ? ? 24 DT D C5 1 -ATOM 589 C C7 . DT B 2 15 ? 65.917 48.008 11.275 1.00 46.54 ? ? ? ? ? ? 24 DT D C7 1 -ATOM 590 C C6 . DT B 2 15 ? 64.472 46.018 10.774 1.00 55.00 ? ? ? ? ? ? 24 DT D C6 1 -ATOM 591 P P . DC B 2 16 ? 59.823 43.757 13.862 1.00 45.23 ? ? ? ? ? ? 25 DC D P 1 -ATOM 592 O OP1 . DC B 2 16 ? 58.552 43.027 14.152 1.00 51.17 ? ? ? ? ? ? 25 DC D OP1 1 -ATOM 593 O OP2 . DC B 2 16 ? 60.052 45.094 14.466 1.00 55.00 ? ? ? ? ? ? 25 DC D OP2 1 -ATOM 594 O "O5'" . DC B 2 16 ? 61.082 42.915 14.316 1.00 43.40 ? ? ? ? ? ? 25 DC D "O5'" 1 -ATOM 595 C "C5'" . DC B 2 16 ? 61.259 41.597 13.863 1.00 44.90 ? ? ? ? ? ? 25 DC D "C5'" 1 -ATOM 596 C "C4'" . DC B 2 16 ? 62.596 41.073 14.327 1.00 48.98 ? ? ? ? ? ? 25 DC D "C4'" 1 -ATOM 597 O "O4'" . DC B 2 16 ? 63.644 41.993 13.944 1.00 49.36 ? ? ? ? ? ? 25 DC D "O4'" 1 -ATOM 598 C "C3'" . DC B 2 16 ? 62.752 40.851 15.838 1.00 55.00 ? ? ? ? ? ? 25 DC D "C3'" 1 -ATOM 599 O "O3'" . DC B 2 16 ? 63.248 39.495 16.003 1.00 55.00 ? ? ? ? ? ? 25 DC D "O3'" 1 -ATOM 600 C "C2'" . DC B 2 16 ? 63.778 41.910 16.252 1.00 49.00 ? ? ? ? ? ? 25 DC D "C2'" 1 -ATOM 601 C "C1'" . DC B 2 16 ? 64.600 42.047 14.978 1.00 48.81 ? ? ? ? ? ? 25 DC D "C1'" 1 -ATOM 602 N N1 . DC B 2 16 ? 65.363 43.291 14.797 1.00 48.40 ? ? ? ? ? ? 25 DC D N1 1 -ATOM 603 C C2 . DC B 2 16 ? 66.620 43.227 14.136 1.00 46.96 ? ? ? ? ? ? 25 DC D C2 1 -ATOM 604 O O2 . DC B 2 16 ? 67.067 42.118 13.721 1.00 41.01 ? ? ? ? ? ? 25 DC D O2 1 -ATOM 605 N N3 . DC B 2 16 ? 67.318 44.357 13.966 1.00 45.61 ? ? ? ? ? ? 25 DC D N3 1 -ATOM 606 C C4 . DC B 2 16 ? 66.806 45.518 14.418 1.00 45.62 ? ? ? ? ? ? 25 DC D C4 1 -ATOM 607 N N4 . DC B 2 16 ? 67.531 46.619 14.210 1.00 40.43 ? ? ? ? ? ? 25 DC D N4 1 -ATOM 608 C C5 . DC B 2 16 ? 65.551 45.599 15.087 1.00 45.76 ? ? ? ? ? ? 25 DC D C5 1 -ATOM 609 C C6 . DC B 2 16 ? 64.873 44.484 15.253 1.00 42.16 ? ? ? ? ? ? 25 DC D C6 1 -ATOM 610 P P . DG B 2 17 ? 62.654 38.505 17.163 1.00 49.77 ? ? ? ? ? ? 26 DG D P 1 -ATOM 611 O OP1 . DG B 2 17 ? 61.433 37.732 16.764 1.00 52.71 ? ? ? ? ? ? 26 DG D OP1 1 -ATOM 612 O OP2 . DG B 2 17 ? 62.610 39.303 18.437 1.00 55.00 ? ? ? ? ? ? 26 DG D OP2 1 -ATOM 613 O "O5'" . DG B 2 17 ? 63.794 37.398 17.153 1.00 47.44 ? ? ? ? ? ? 26 DG D "O5'" 1 -ATOM 614 C "C5'" . DG B 2 17 ? 64.187 36.792 15.925 1.00 42.09 ? ? ? ? ? ? 26 DG D "C5'" 1 -ATOM 615 C "C4'" . DG B 2 17 ? 65.614 36.362 16.046 1.00 43.60 ? ? ? ? ? ? 26 DG D "C4'" 1 -ATOM 616 O "O4'" . DG B 2 17 ? 66.473 37.546 16.005 1.00 51.40 ? ? ? ? ? ? 26 DG D "O4'" 1 -ATOM 617 C "C3'" . DG B 2 17 ? 65.827 35.763 17.424 1.00 43.50 ? ? ? ? ? ? 26 DG D "C3'" 1 -ATOM 618 O "O3'" . DG B 2 17 ? 66.828 34.741 17.320 1.00 52.09 ? ? ? ? ? ? 26 DG D "O3'" 1 -ATOM 619 C "C2'" . DG B 2 17 ? 66.255 36.976 18.265 1.00 47.87 ? ? ? ? ? ? 26 DG D "C2'" 1 -ATOM 620 C "C1'" . DG B 2 17 ? 67.109 37.773 17.286 1.00 48.54 ? ? ? ? ? ? 26 DG D "C1'" 1 -ATOM 621 N N9 . DG B 2 17 ? 67.250 39.228 17.427 1.00 38.12 ? ? ? ? ? ? 26 DG D N9 1 -ATOM 622 C C8 . DG B 2 17 ? 66.246 40.140 17.640 1.00 43.80 ? ? ? ? ? ? 26 DG D C8 1 -ATOM 623 N N7 . DG B 2 17 ? 66.661 41.380 17.642 1.00 36.92 ? ? ? ? ? ? 26 DG D N7 1 -ATOM 624 C C5 . DG B 2 17 ? 68.033 41.284 17.435 1.00 41.01 ? ? ? ? ? ? 26 DG D C5 1 -ATOM 625 C C6 . DG B 2 17 ? 69.063 42.328 17.270 1.00 44.75 ? ? ? ? ? ? 26 DG D C6 1 -ATOM 626 O O6 . DG B 2 17 ? 68.950 43.573 17.314 1.00 47.53 ? ? ? ? ? ? 26 DG D O6 1 -ATOM 627 N N1 . DG B 2 17 ? 70.312 41.778 17.032 1.00 43.50 ? ? ? ? ? ? 26 DG D N1 1 -ATOM 628 C C2 . DG B 2 17 ? 70.570 40.445 16.958 1.00 42.91 ? ? ? ? ? ? 26 DG D C2 1 -ATOM 629 N N2 . DG B 2 17 ? 71.853 40.155 16.729 1.00 53.81 ? ? ? ? ? ? 26 DG D N2 1 -ATOM 630 N N3 . DG B 2 17 ? 69.652 39.471 17.097 1.00 35.37 ? ? ? ? ? ? 26 DG D N3 1 -ATOM 631 C C4 . DG B 2 17 ? 68.418 39.958 17.325 1.00 36.11 ? ? ? ? ? ? 26 DG D C4 1 -ATOM 632 O "O5'" . DG C 1 1 ? 76.815 50.937 20.413 1.00 52.03 ? ? ? ? ? ? 27 DG E "O5'" 1 -ATOM 633 C "C5'" . DG C 1 1 ? 76.054 50.947 19.139 1.00 53.94 ? ? ? ? ? ? 27 DG E "C5'" 1 -ATOM 634 C "C4'" . DG C 1 1 ? 75.889 49.574 18.513 1.00 51.38 ? ? ? ? ? ? 27 DG E "C4'" 1 -ATOM 635 O "O4'" . DG C 1 1 ? 74.911 48.814 19.274 1.00 46.86 ? ? ? ? ? ? 27 DG E "O4'" 1 -ATOM 636 C "C3'" . DG C 1 1 ? 75.394 49.567 17.056 1.00 51.37 ? ? ? ? ? ? 27 DG E "C3'" 1 -ATOM 637 O "O3'" . DG C 1 1 ? 75.926 48.411 16.350 1.00 50.51 ? ? ? ? ? ? 27 DG E "O3'" 1 -ATOM 638 C "C2'" . DG C 1 1 ? 73.899 49.383 17.243 1.00 43.52 ? ? ? ? ? ? 27 DG E "C2'" 1 -ATOM 639 C "C1'" . DG C 1 1 ? 73.922 48.381 18.380 1.00 44.32 ? ? ? ? ? ? 27 DG E "C1'" 1 -ATOM 640 N N9 . DG C 1 1 ? 72.671 48.258 19.097 1.00 45.59 ? ? ? ? ? ? 27 DG E N9 1 -ATOM 641 C C8 . DG C 1 1 ? 71.886 49.247 19.620 1.00 44.53 ? ? ? ? ? ? 27 DG E C8 1 -ATOM 642 N N7 . DG C 1 1 ? 70.800 48.789 20.181 1.00 42.86 ? ? ? ? ? ? 27 DG E N7 1 -ATOM 643 C C5 . DG C 1 1 ? 70.888 47.416 20.018 1.00 44.90 ? ? ? ? ? ? 27 DG E C5 1 -ATOM 644 C C6 . DG C 1 1 ? 69.997 46.398 20.364 1.00 40.74 ? ? ? ? ? ? 27 DG E C6 1 -ATOM 645 O O6 . DG C 1 1 ? 68.912 46.488 20.927 1.00 37.40 ? ? ? ? ? ? 27 DG E O6 1 -ATOM 646 N N1 . DG C 1 1 ? 70.472 45.144 19.975 1.00 48.90 ? ? ? ? ? ? 27 DG E N1 1 -ATOM 647 C C2 . DG C 1 1 ? 71.645 44.910 19.330 1.00 43.29 ? ? ? ? ? ? 27 DG E C2 1 -ATOM 648 N N2 . DG C 1 1 ? 71.934 43.644 19.044 1.00 46.92 ? ? ? ? ? ? 27 DG E N2 1 -ATOM 649 N N3 . DG C 1 1 ? 72.481 45.855 18.991 1.00 48.53 ? ? ? ? ? ? 27 DG E N3 1 -ATOM 650 C C4 . DG C 1 1 ? 72.041 47.079 19.362 1.00 48.50 ? ? ? ? ? ? 27 DG E C4 1 -ATOM 651 P P . DC C 1 2 ? 77.243 48.546 15.372 1.00 55.00 ? ? ? ? ? ? 26 DC E P 1 -ATOM 652 O OP1 . DC C 1 2 ? 78.447 49.313 15.988 1.00 49.85 ? ? ? ? ? ? 26 DC E OP1 1 -ATOM 653 O OP2 . DC C 1 2 ? 76.668 48.997 14.044 1.00 51.68 ? ? ? ? ? ? 26 DC E OP2 1 -ATOM 654 O "O5'" . DC C 1 2 ? 77.710 47.015 15.131 1.00 55.00 ? ? ? ? ? ? 26 DC E "O5'" 1 -ATOM 655 C "C5'" . DC C 1 2 ? 77.827 46.054 16.232 1.00 55.00 ? ? ? ? ? ? 26 DC E "C5'" 1 -ATOM 656 C "C4'" . DC C 1 2 ? 77.505 44.639 15.778 1.00 51.81 ? ? ? ? ? ? 26 DC E "C4'" 1 -ATOM 657 O "O4'" . DC C 1 2 ? 76.285 44.147 16.368 1.00 51.44 ? ? ? ? ? ? 26 DC E "O4'" 1 -ATOM 658 C "C3'" . DC C 1 2 ? 77.301 44.546 14.290 1.00 49.35 ? ? ? ? ? ? 26 DC E "C3'" 1 -ATOM 659 O "O3'" . DC C 1 2 ? 78.538 44.108 13.821 1.00 54.36 ? ? ? ? ? ? 26 DC E "O3'" 1 -ATOM 660 C "C2'" . DC C 1 2 ? 76.171 43.547 14.091 1.00 48.19 ? ? ? ? ? ? 26 DC E "C2'" 1 -ATOM 661 C "C1'" . DC C 1 2 ? 75.409 43.551 15.403 1.00 49.02 ? ? ? ? ? ? 26 DC E "C1'" 1 -ATOM 662 N N1 . DC C 1 2 ? 74.121 44.276 15.515 1.00 51.88 ? ? ? ? ? ? 26 DC E N1 1 -ATOM 663 C C2 . DC C 1 2 ? 73.000 43.598 16.103 1.00 53.04 ? ? ? ? ? ? 26 DC E C2 1 -ATOM 664 O O2 . DC C 1 2 ? 73.110 42.407 16.459 1.00 47.84 ? ? ? ? ? ? 26 DC E O2 1 -ATOM 665 N N3 . DC C 1 2 ? 71.828 44.278 16.261 1.00 52.98 ? ? ? ? ? ? 26 DC E N3 1 -ATOM 666 C C4 . DC C 1 2 ? 71.730 45.558 15.859 1.00 51.67 ? ? ? ? ? ? 26 DC E C4 1 -ATOM 667 N N4 . DC C 1 2 ? 70.567 46.165 16.047 1.00 43.98 ? ? ? ? ? ? 26 DC E N4 1 -ATOM 668 C C5 . DC C 1 2 ? 72.830 46.257 15.249 1.00 49.23 ? ? ? ? ? ? 26 DC E C5 1 -ATOM 669 C C6 . DC C 1 2 ? 73.993 45.583 15.094 1.00 50.39 ? ? ? ? ? ? 26 DC E C6 1 -ATOM 670 P P . DG C 1 3 ? 79.173 44.843 12.573 1.00 55.00 ? ? ? ? ? ? 25 DG E P 1 -ATOM 671 O OP1 . DG C 1 3 ? 80.584 44.328 12.444 1.00 55.00 ? ? ? ? ? ? 25 DG E OP1 1 -ATOM 672 O OP2 . DG C 1 3 ? 78.966 46.306 12.897 1.00 55.00 ? ? ? ? ? ? 25 DG E OP2 1 -ATOM 673 O "O5'" . DG C 1 3 ? 78.196 44.364 11.359 1.00 55.00 ? ? ? ? ? ? 25 DG E "O5'" 1 -ATOM 674 C "C5'" . DG C 1 3 ? 78.478 43.209 10.495 1.00 52.26 ? ? ? ? ? ? 25 DG E "C5'" 1 -ATOM 675 C "C4'" . DG C 1 3 ? 77.452 42.082 10.656 1.00 54.91 ? ? ? ? ? ? 25 DG E "C4'" 1 -ATOM 676 O "O4'" . DG C 1 3 ? 76.352 42.332 11.592 1.00 52.47 ? ? ? ? ? ? 25 DG E "O4'" 1 -ATOM 677 C "C3'" . DG C 1 3 ? 76.787 41.631 9.357 1.00 52.97 ? ? ? ? ? ? 25 DG E "C3'" 1 -ATOM 678 O "O3'" . DG C 1 3 ? 76.872 40.204 9.195 1.00 55.00 ? ? ? ? ? ? 25 DG E "O3'" 1 -ATOM 679 C "C2'" . DG C 1 3 ? 75.325 42.029 9.526 1.00 46.88 ? ? ? ? ? ? 25 DG E "C2'" 1 -ATOM 680 C "C1'" . DG C 1 3 ? 75.059 42.062 11.019 1.00 45.56 ? ? ? ? ? ? 25 DG E "C1'" 1 -ATOM 681 N N9 . DG C 1 3 ? 74.155 43.181 11.354 1.00 49.90 ? ? ? ? ? ? 25 DG E N9 1 -ATOM 682 C C8 . DG C 1 3 ? 74.374 44.512 10.982 1.00 48.23 ? ? ? ? ? ? 25 DG E C8 1 -ATOM 683 N N7 . DG C 1 3 ? 73.428 45.341 11.395 1.00 54.11 ? ? ? ? ? ? 25 DG E N7 1 -ATOM 684 C C5 . DG C 1 3 ? 72.508 44.523 12.092 1.00 53.48 ? ? ? ? ? ? 25 DG E C5 1 -ATOM 685 C C6 . DG C 1 3 ? 71.237 44.842 12.755 1.00 51.42 ? ? ? ? ? ? 25 DG E C6 1 -ATOM 686 O O6 . DG C 1 3 ? 70.631 45.910 12.948 1.00 54.79 ? ? ? ? ? ? 25 DG E O6 1 -ATOM 687 N N1 . DG C 1 3 ? 70.590 43.717 13.342 1.00 51.03 ? ? ? ? ? ? 25 DG E N1 1 -ATOM 688 C C2 . DG C 1 3 ? 71.130 42.430 13.246 1.00 48.33 ? ? ? ? ? ? 25 DG E C2 1 -ATOM 689 N N2 . DG C 1 3 ? 70.361 41.479 13.843 1.00 51.08 ? ? ? ? ? ? 25 DG E N2 1 -ATOM 690 N N3 . DG C 1 3 ? 72.305 42.100 12.630 1.00 55.00 ? ? ? ? ? ? 25 DG E N3 1 -ATOM 691 C C4 . DG C 1 3 ? 72.933 43.175 12.079 1.00 55.00 ? ? ? ? ? ? 25 DG E C4 1 -ATOM 692 P P . DA C 1 4 ? 75.959 39.437 8.054 1.00 55.00 ? ? ? ? ? ? 24 DA E P 1 -ATOM 693 O OP1 . DA C 1 4 ? 76.876 38.575 7.240 1.00 55.00 ? ? ? ? ? ? 24 DA E OP1 1 -ATOM 694 O OP2 . DA C 1 4 ? 74.999 40.347 7.343 1.00 55.00 ? ? ? ? ? ? 24 DA E OP2 1 -ATOM 695 O "O5'" . DA C 1 4 ? 74.998 38.491 8.907 1.00 55.00 ? ? ? ? ? ? 24 DA E "O5'" 1 -ATOM 696 C "C5'" . DA C 1 4 ? 74.545 37.267 8.371 1.00 49.21 ? ? ? ? ? ? 24 DA E "C5'" 1 -ATOM 697 C "C4'" . DA C 1 4 ? 73.080 37.354 8.023 1.00 53.41 ? ? ? ? ? ? 24 DA E "C4'" 1 -ATOM 698 O "O4'" . DA C 1 4 ? 72.543 38.610 8.503 1.00 55.00 ? ? ? ? ? ? 24 DA E "O4'" 1 -ATOM 699 C "C3'" . DA C 1 4 ? 72.777 37.314 6.525 1.00 53.84 ? ? ? ? ? ? 24 DA E "C3'" 1 -ATOM 700 O "O3'" . DA C 1 4 ? 72.005 36.138 6.223 1.00 55.00 ? ? ? ? ? ? 24 DA E "O3'" 1 -ATOM 701 C "C2'" . DA C 1 4 ? 71.991 38.601 6.269 1.00 51.21 ? ? ? ? ? ? 24 DA E "C2'" 1 -ATOM 702 C "C1'" . DA C 1 4 ? 71.495 39.001 7.641 1.00 53.09 ? ? ? ? ? ? 24 DA E "C1'" 1 -ATOM 703 N N9 . DA C 1 4 ? 71.258 40.434 7.851 1.00 51.31 ? ? ? ? ? ? 24 DA E N9 1 -ATOM 704 C C8 . DA C 1 4 ? 71.943 41.479 7.286 1.00 50.95 ? ? ? ? ? ? 24 DA E C8 1 -ATOM 705 N N7 . DA C 1 4 ? 71.514 42.663 7.669 1.00 50.11 ? ? ? ? ? ? 24 DA E N7 1 -ATOM 706 C C5 . DA C 1 4 ? 70.476 42.382 8.549 1.00 49.64 ? ? ? ? ? ? 24 DA E C5 1 -ATOM 707 C C6 . DA C 1 4 ? 69.595 43.218 9.293 1.00 46.44 ? ? ? ? ? ? 24 DA E C6 1 -ATOM 708 N N6 . DA C 1 4 ? 69.656 44.541 9.291 1.00 45.03 ? ? ? ? ? ? 24 DA E N6 1 -ATOM 709 N N1 . DA C 1 4 ? 68.649 42.627 10.048 1.00 45.59 ? ? ? ? ? ? 24 DA E N1 1 -ATOM 710 C C2 . DA C 1 4 ? 68.590 41.290 10.062 1.00 47.74 ? ? ? ? ? ? 24 DA E C2 1 -ATOM 711 N N3 . DA C 1 4 ? 69.356 40.395 9.419 1.00 50.88 ? ? ? ? ? ? 24 DA E N3 1 -ATOM 712 C C4 . DA C 1 4 ? 70.296 41.013 8.669 1.00 52.45 ? ? ? ? ? ? 24 DA E C4 1 -ATOM 713 P P . DA C 1 5 ? 71.714 35.715 4.677 1.00 54.54 ? ? ? ? ? ? 23 DA E P 1 -ATOM 714 O OP1 . DA C 1 5 ? 72.718 34.754 4.100 1.00 49.35 ? ? ? ? ? ? 23 DA E OP1 1 -ATOM 715 O OP2 . DA C 1 5 ? 71.403 36.956 3.919 1.00 55.00 ? ? ? ? ? ? 23 DA E OP2 1 -ATOM 716 O "O5'" . DA C 1 5 ? 70.316 34.963 4.838 1.00 55.00 ? ? ? ? ? ? 23 DA E "O5'" 1 -ATOM 717 C "C5'" . DA C 1 5 ? 69.127 35.548 4.284 1.00 55.00 ? ? ? ? ? ? 23 DA E "C5'" 1 -ATOM 718 C "C4'" . DA C 1 5 ? 68.169 35.984 5.370 1.00 55.00 ? ? ? ? ? ? 23 DA E "C4'" 1 -ATOM 719 O "O4'" . DA C 1 5 ? 68.656 37.171 6.062 1.00 55.00 ? ? ? ? ? ? 23 DA E "O4'" 1 -ATOM 720 C "C3'" . DA C 1 5 ? 66.821 36.393 4.764 1.00 55.00 ? ? ? ? ? ? 23 DA E "C3'" 1 -ATOM 721 O "O3'" . DA C 1 5 ? 65.731 36.062 5.641 1.00 53.81 ? ? ? ? ? ? 23 DA E "O3'" 1 -ATOM 722 C "C2'" . DA C 1 5 ? 66.940 37.894 4.704 1.00 51.47 ? ? ? ? ? ? 23 DA E "C2'" 1 -ATOM 723 C "C1'" . DA C 1 5 ? 67.585 38.100 6.055 1.00 55.00 ? ? ? ? ? ? 23 DA E "C1'" 1 -ATOM 724 N N9 . DA C 1 5 ? 68.118 39.441 6.145 1.00 52.72 ? ? ? ? ? ? 23 DA E N9 1 -ATOM 725 C C8 . DA C 1 5 ? 69.365 39.874 5.813 1.00 54.03 ? ? ? ? ? ? 23 DA E C8 1 -ATOM 726 N N7 . DA C 1 5 ? 69.536 41.161 5.982 1.00 53.57 ? ? ? ? ? ? 23 DA E N7 1 -ATOM 727 C C5 . DA C 1 5 ? 68.306 41.601 6.463 1.00 54.44 ? ? ? ? ? ? 23 DA E C5 1 -ATOM 728 C C6 . DA C 1 5 ? 67.842 42.879 6.823 1.00 53.98 ? ? ? ? ? ? 23 DA E C6 1 -ATOM 729 N N6 . DA C 1 5 ? 68.618 43.955 6.763 1.00 45.51 ? ? ? ? ? ? 23 DA E N6 1 -ATOM 730 N N1 . DA C 1 5 ? 66.557 43.000 7.249 1.00 53.50 ? ? ? ? ? ? 23 DA E N1 1 -ATOM 731 C C2 . DA C 1 5 ? 65.801 41.870 7.314 1.00 50.02 ? ? ? ? ? ? 23 DA E C2 1 -ATOM 732 N N3 . DA C 1 5 ? 66.139 40.608 7.005 1.00 47.55 ? ? ? ? ? ? 23 DA E N3 1 -ATOM 733 C C4 . DA C 1 5 ? 67.423 40.547 6.576 1.00 51.14 ? ? ? ? ? ? 23 DA E C4 1 -ATOM 734 P P . DA C 1 6 ? 64.302 35.689 5.007 1.00 53.92 ? ? ? ? ? ? 22 DA E P 1 -ATOM 735 O OP1 . DA C 1 6 ? 63.736 34.474 5.679 1.00 49.17 ? ? ? ? ? ? 22 DA E OP1 1 -ATOM 736 O OP2 . DA C 1 6 ? 64.476 35.720 3.504 1.00 51.84 ? ? ? ? ? ? 22 DA E OP2 1 -ATOM 737 O "O5'" . DA C 1 6 ? 63.365 36.935 5.359 1.00 55.00 ? ? ? ? ? ? 22 DA E "O5'" 1 -ATOM 738 C "C5'" . DA C 1 6 ? 63.127 37.367 6.715 1.00 46.95 ? ? ? ? ? ? 22 DA E "C5'" 1 -ATOM 739 C "C4'" . DA C 1 6 ? 62.418 38.710 6.735 1.00 45.04 ? ? ? ? ? ? 22 DA E "C4'" 1 -ATOM 740 O "O4'" . DA C 1 6 ? 63.347 39.798 6.439 1.00 47.43 ? ? ? ? ? ? 22 DA E "O4'" 1 -ATOM 741 C "C3'" . DA C 1 6 ? 61.279 38.817 5.729 1.00 38.46 ? ? ? ? ? ? 22 DA E "C3'" 1 -ATOM 742 O "O3'" . DA C 1 6 ? 60.065 39.212 6.372 1.00 38.57 ? ? ? ? ? ? 22 DA E "O3'" 1 -ATOM 743 C "C2'" . DA C 1 6 ? 61.767 39.813 4.677 1.00 47.54 ? ? ? ? ? ? 22 DA E "C2'" 1 -ATOM 744 C "C1'" . DA C 1 6 ? 62.889 40.611 5.347 1.00 47.32 ? ? ? ? ? ? 22 DA E "C1'" 1 -ATOM 745 N N9 . DA C 1 6 ? 64.064 40.975 4.511 1.00 44.09 ? ? ? ? ? ? 22 DA E N9 1 -ATOM 746 C C8 . DA C 1 6 ? 64.814 40.206 3.639 1.00 43.81 ? ? ? ? ? ? 22 DA E C8 1 -ATOM 747 N N7 . DA C 1 6 ? 65.809 40.852 3.078 1.00 34.03 ? ? ? ? ? ? 22 DA E N7 1 -ATOM 748 C C5 . DA C 1 6 ? 65.714 42.126 3.599 1.00 35.70 ? ? ? ? ? ? 22 DA E C5 1 -ATOM 749 C C6 . DA C 1 6 ? 66.490 43.303 3.408 1.00 42.53 ? ? ? ? ? ? 22 DA E C6 1 -ATOM 750 N N6 . DA C 1 6 ? 67.561 43.378 2.626 1.00 31.47 ? ? ? ? ? ? 22 DA E N6 1 -ATOM 751 N N1 . DA C 1 6 ? 66.115 44.416 4.078 1.00 45.66 ? ? ? ? ? ? 22 DA E N1 1 -ATOM 752 C C2 . DA C 1 6 ? 65.041 44.339 4.896 1.00 49.43 ? ? ? ? ? ? 22 DA E C2 1 -ATOM 753 N N3 . DA C 1 6 ? 64.248 43.300 5.167 1.00 41.35 ? ? ? ? ? ? 22 DA E N3 1 -ATOM 754 C C4 . DA C 1 6 ? 64.640 42.221 4.480 1.00 42.45 ? ? ? ? ? ? 22 DA E C4 1 -ATOM 755 P P . DA C 1 7 ? 58.670 39.179 5.549 1.00 44.62 ? ? ? ? ? ? 21 DA E P 1 -ATOM 756 O OP1 . DA C 1 7 ? 57.556 38.836 6.486 1.00 32.06 ? ? ? ? ? ? 21 DA E OP1 1 -ATOM 757 O OP2 . DA C 1 7 ? 58.857 38.382 4.286 1.00 46.37 ? ? ? ? ? ? 21 DA E OP2 1 -ATOM 758 O "O5'" . DA C 1 7 ? 58.475 40.712 5.107 1.00 42.28 ? ? ? ? ? ? 21 DA E "O5'" 1 -ATOM 759 C "C5'" . DA C 1 7 ? 59.597 41.523 4.708 1.00 38.93 ? ? ? ? ? ? 21 DA E "C5'" 1 -ATOM 760 C "C4'" . DA C 1 7 ? 59.318 42.993 4.955 1.00 41.83 ? ? ? ? ? ? 21 DA E "C4'" 1 -ATOM 761 O "O4'" . DA C 1 7 ? 60.555 43.697 4.734 1.00 32.73 ? ? ? ? ? ? 21 DA E "O4'" 1 -ATOM 762 C "C3'" . DA C 1 7 ? 58.295 43.629 3.997 1.00 41.75 ? ? ? ? ? ? 21 DA E "C3'" 1 -ATOM 763 O "O3'" . DA C 1 7 ? 57.548 44.734 4.575 1.00 39.58 ? ? ? ? ? ? 21 DA E "O3'" 1 -ATOM 764 C "C2'" . DA C 1 7 ? 59.157 44.133 2.869 1.00 39.30 ? ? ? ? ? ? 21 DA E "C2'" 1 -ATOM 765 C "C1'" . DA C 1 7 ? 60.468 44.469 3.546 1.00 39.63 ? ? ? ? ? ? 21 DA E "C1'" 1 -ATOM 766 N N9 . DA C 1 7 ? 61.565 44.068 2.695 1.00 38.52 ? ? ? ? ? ? 21 DA E N9 1 -ATOM 767 C C8 . DA C 1 7 ? 61.926 42.789 2.346 1.00 38.92 ? ? ? ? ? ? 21 DA E C8 1 -ATOM 768 N N7 . DA C 1 7 ? 62.978 42.730 1.564 1.00 43.30 ? ? ? ? ? ? 21 DA E N7 1 -ATOM 769 C C5 . DA C 1 7 ? 63.326 44.063 1.383 1.00 38.01 ? ? ? ? ? ? 21 DA E C5 1 -ATOM 770 C C6 . DA C 1 7 ? 64.335 44.671 0.640 1.00 38.24 ? ? ? ? ? ? 21 DA E C6 1 -ATOM 771 N N6 . DA C 1 7 ? 65.220 43.983 -0.069 1.00 37.92 ? ? ? ? ? ? 21 DA E N6 1 -ATOM 772 N N1 . DA C 1 7 ? 64.398 46.027 0.648 1.00 37.53 ? ? ? ? ? ? 21 DA E N1 1 -ATOM 773 C C2 . DA C 1 7 ? 63.490 46.703 1.367 1.00 42.33 ? ? ? ? ? ? 21 DA E C2 1 -ATOM 774 N N3 . DA C 1 7 ? 62.477 46.234 2.116 1.00 41.43 ? ? ? ? ? ? 21 DA E N3 1 -ATOM 775 C C4 . DA C 1 7 ? 62.456 44.894 2.077 1.00 41.22 ? ? ? ? ? ? 21 DA E C4 1 -ATOM 776 P P . DG C 1 8 ? 56.496 45.563 3.651 1.00 35.88 ? ? ? ? ? ? 20 DG E P 1 -ATOM 777 O OP1 . DG C 1 8 ? 55.614 46.437 4.478 1.00 31.43 ? ? ? ? ? ? 20 DG E OP1 1 -ATOM 778 O OP2 . DG C 1 8 ? 55.882 44.663 2.625 1.00 35.43 ? ? ? ? ? ? 20 DG E OP2 1 -ATOM 779 O "O5'" . DG C 1 8 ? 57.478 46.525 2.901 1.00 29.98 ? ? ? ? ? ? 20 DG E "O5'" 1 -ATOM 780 C "C5'" . DG C 1 8 ? 58.003 47.636 3.583 1.00 34.54 ? ? ? ? ? ? 20 DG E "C5'" 1 -ATOM 781 C "C4'" . DG C 1 8 ? 58.814 48.442 2.615 1.00 33.02 ? ? ? ? ? ? 20 DG E "C4'" 1 -ATOM 782 O "O4'" . DG C 1 8 ? 59.779 47.534 2.041 1.00 34.59 ? ? ? ? ? ? 20 DG E "O4'" 1 -ATOM 783 C "C3'" . DG C 1 8 ? 58.001 48.962 1.445 1.00 28.18 ? ? ? ? ? ? 20 DG E "C3'" 1 -ATOM 784 O "O3'" . DG C 1 8 ? 58.368 50.304 1.267 1.00 31.84 ? ? ? ? ? ? 20 DG E "O3'" 1 -ATOM 785 C "C2'" . DG C 1 8 ? 58.427 48.090 0.274 1.00 24.01 ? ? ? ? ? ? 20 DG E "C2'" 1 -ATOM 786 C "C1'" . DG C 1 8 ? 59.843 47.766 0.673 1.00 33.70 ? ? ? ? ? ? 20 DG E "C1'" 1 -ATOM 787 N N9 . DG C 1 8 ? 60.511 46.625 0.038 1.00 39.70 ? ? ? ? ? ? 20 DG E N9 1 -ATOM 788 C C8 . DG C 1 8 ? 60.160 45.310 0.064 1.00 41.86 ? ? ? ? ? ? 20 DG E C8 1 -ATOM 789 N N7 . DG C 1 8 ? 60.971 44.562 -0.622 1.00 40.21 ? ? ? ? ? ? 20 DG E N7 1 -ATOM 790 C C5 . DG C 1 8 ? 61.912 45.439 -1.129 1.00 39.46 ? ? ? ? ? ? 20 DG E C5 1 -ATOM 791 C C6 . DG C 1 8 ? 63.023 45.219 -1.978 1.00 42.77 ? ? ? ? ? ? 20 DG E C6 1 -ATOM 792 O O6 . DG C 1 8 ? 63.435 44.136 -2.462 1.00 48.02 ? ? ? ? ? ? 20 DG E O6 1 -ATOM 793 N N1 . DG C 1 8 ? 63.694 46.413 -2.267 1.00 47.66 ? ? ? ? ? ? 20 DG E N1 1 -ATOM 794 C C2 . DG C 1 8 ? 63.346 47.647 -1.798 1.00 43.49 ? ? ? ? ? ? 20 DG E C2 1 -ATOM 795 N N2 . DG C 1 8 ? 64.090 48.708 -2.155 1.00 41.39 ? ? ? ? ? ? 20 DG E N2 1 -ATOM 796 N N3 . DG C 1 8 ? 62.322 47.846 -1.018 1.00 51.55 ? ? ? ? ? ? 20 DG E N3 1 -ATOM 797 C C4 . DG C 1 8 ? 61.650 46.708 -0.727 1.00 43.30 ? ? ? ? ? ? 20 DG E C4 1 -ATOM 798 P P . DT C 1 9 ? 57.518 51.213 0.287 1.00 37.34 ? ? ? ? ? ? 19 DT E P 1 -ATOM 799 O OP1 . DT C 1 9 ? 57.389 52.564 0.903 1.00 34.68 ? ? ? ? ? ? 19 DT E OP1 1 -ATOM 800 O OP2 . DT C 1 9 ? 56.285 50.421 -0.010 1.00 32.52 ? ? ? ? ? ? 19 DT E OP2 1 -ATOM 801 O "O5'" . DT C 1 9 ? 58.517 51.354 -0.946 1.00 35.58 ? ? ? ? ? ? 19 DT E "O5'" 1 -ATOM 802 C "C5'" . DT C 1 9 ? 59.918 51.272 -0.690 1.00 37.61 ? ? ? ? ? ? 19 DT E "C5'" 1 -ATOM 803 C "C4'" . DT C 1 9 ? 60.731 51.616 -1.914 1.00 36.56 ? ? ? ? ? ? 19 DT E "C4'" 1 -ATOM 804 O "O4'" . DT C 1 9 ? 61.488 50.495 -2.457 1.00 36.16 ? ? ? ? ? ? 19 DT E "O4'" 1 -ATOM 805 C "C3'" . DT C 1 9 ? 59.941 52.190 -3.054 1.00 31.27 ? ? ? ? ? ? 19 DT E "C3'" 1 -ATOM 806 O "O3'" . DT C 1 9 ? 60.782 53.199 -3.511 1.00 35.91 ? ? ? ? ? ? 19 DT E "O3'" 1 -ATOM 807 C "C2'" . DT C 1 9 ? 59.875 51.040 -4.044 1.00 32.28 ? ? ? ? ? ? 19 DT E "C2'" 1 -ATOM 808 C "C1'" . DT C 1 9 ? 61.204 50.309 -3.831 1.00 34.74 ? ? ? ? ? ? 19 DT E "C1'" 1 -ATOM 809 N N1 . DT C 1 9 ? 61.139 48.823 -4.108 1.00 39.24 ? ? ? ? ? ? 19 DT E N1 1 -ATOM 810 C C2 . DT C 1 9 ? 62.056 48.231 -4.969 1.00 39.34 ? ? ? ? ? ? 19 DT E C2 1 -ATOM 811 O O2 . DT C 1 9 ? 62.968 48.836 -5.511 1.00 33.32 ? ? ? ? ? ? 19 DT E O2 1 -ATOM 812 N N3 . DT C 1 9 ? 61.864 46.875 -5.172 1.00 39.91 ? ? ? ? ? ? 19 DT E N3 1 -ATOM 813 C C4 . DT C 1 9 ? 60.905 46.074 -4.622 1.00 37.40 ? ? ? ? ? ? 19 DT E C4 1 -ATOM 814 O O4 . DT C 1 9 ? 60.866 44.887 -4.925 1.00 38.10 ? ? ? ? ? ? 19 DT E O4 1 -ATOM 815 C C5 . DT C 1 9 ? 59.999 46.742 -3.713 1.00 35.96 ? ? ? ? ? ? 19 DT E C5 1 -ATOM 816 C C7 . DT C 1 9 ? 58.931 45.956 -3.036 1.00 41.93 ? ? ? ? ? ? 19 DT E C7 1 -ATOM 817 C C6 . DT C 1 9 ? 60.158 48.058 -3.510 1.00 34.58 ? ? ? ? ? ? 19 DT E C6 1 -ATOM 818 P P . DG C 1 10 ? 60.270 54.206 -4.605 1.00 42.65 ? ? ? ? ? ? 18 DG E P 1 -ATOM 819 O OP1 . DG C 1 10 ? 60.467 55.571 -4.029 1.00 41.97 ? ? ? ? ? ? 18 DG E OP1 1 -ATOM 820 O OP2 . DG C 1 10 ? 58.901 53.746 -4.944 1.00 47.76 ? ? ? ? ? ? 18 DG E OP2 1 -ATOM 821 O "O5'" . DG C 1 10 ? 61.246 53.943 -5.856 1.00 38.01 ? ? ? ? ? ? 18 DG E "O5'" 1 -ATOM 822 C "C5'" . DG C 1 10 ? 62.638 54.190 -5.723 1.00 38.48 ? ? ? ? ? ? 18 DG E "C5'" 1 -ATOM 823 C "C4'" . DG C 1 10 ? 63.356 54.187 -7.058 1.00 46.55 ? ? ? ? ? ? 18 DG E "C4'" 1 -ATOM 824 O "O4'" . DG C 1 10 ? 63.450 52.866 -7.644 1.00 48.23 ? ? ? ? ? ? 18 DG E "O4'" 1 -ATOM 825 C "C3'" . DG C 1 10 ? 62.878 55.078 -8.196 1.00 45.63 ? ? ? ? ? ? 18 DG E "C3'" 1 -ATOM 826 O "O3'" . DG C 1 10 ? 64.092 55.339 -8.943 1.00 50.80 ? ? ? ? ? ? 18 DG E "O3'" 1 -ATOM 827 C "C2'" . DG C 1 10 ? 61.938 54.136 -8.937 1.00 49.45 ? ? ? ? ? ? 18 DG E "C2'" 1 -ATOM 828 C "C1'" . DG C 1 10 ? 62.673 52.795 -8.845 1.00 48.50 ? ? ? ? ? ? 18 DG E "C1'" 1 -ATOM 829 N N9 . DG C 1 10 ? 61.814 51.654 -8.633 1.00 44.58 ? ? ? ? ? ? 18 DG E N9 1 -ATOM 830 C C8 . DG C 1 10 ? 60.501 51.661 -8.245 1.00 46.93 ? ? ? ? ? ? 18 DG E C8 1 -ATOM 831 N N7 . DG C 1 10 ? 60.013 50.466 -8.078 1.00 48.45 ? ? ? ? ? ? 18 DG E N7 1 -ATOM 832 C C5 . DG C 1 10 ? 61.073 49.631 -8.385 1.00 42.07 ? ? ? ? ? ? 18 DG E C5 1 -ATOM 833 C C6 . DG C 1 10 ? 61.136 48.247 -8.372 1.00 44.13 ? ? ? ? ? ? 18 DG E C6 1 -ATOM 834 O O6 . DG C 1 10 ? 60.232 47.444 -8.068 1.00 52.69 ? ? ? ? ? ? 18 DG E O6 1 -ATOM 835 N N1 . DG C 1 10 ? 62.394 47.786 -8.759 1.00 44.83 ? ? ? ? ? ? 18 DG E N1 1 -ATOM 836 C C2 . DG C 1 10 ? 63.453 48.598 -9.117 1.00 45.97 ? ? ? ? ? ? 18 DG E C2 1 -ATOM 837 N N2 . DG C 1 10 ? 64.607 47.959 -9.477 1.00 51.61 ? ? ? ? ? ? 18 DG E N2 1 -ATOM 838 N N3 . DG C 1 10 ? 63.390 49.917 -9.125 1.00 40.76 ? ? ? ? ? ? 18 DG E N3 1 -ATOM 839 C C4 . DG C 1 10 ? 62.179 50.356 -8.746 1.00 39.81 ? ? ? ? ? ? 18 DG E C4 1 -ATOM 840 P P . DT C 1 11 ? 64.052 55.714 -10.514 1.00 47.33 ? ? ? ? ? ? 17 DT E P 1 -ATOM 841 O OP1 . DT C 1 11 ? 65.460 55.897 -10.979 1.00 48.13 ? ? ? ? ? ? 17 DT E OP1 1 -ATOM 842 O OP2 . DT C 1 11 ? 63.021 56.776 -10.740 1.00 44.36 ? ? ? ? ? ? 17 DT E OP2 1 -ATOM 843 O "O5'" . DT C 1 11 ? 63.540 54.442 -11.307 1.00 48.33 ? ? ? ? ? ? 17 DT E "O5'" 1 -ATOM 844 C "C5'" . DT C 1 11 ? 63.404 54.526 -12.733 1.00 50.22 ? ? ? ? ? ? 17 DT E "C5'" 1 -ATOM 845 C "C4'" . DT C 1 11 ? 64.334 53.542 -13.396 1.00 46.62 ? ? ? ? ? ? 17 DT E "C4'" 1 -ATOM 846 O "O4'" . DT C 1 11 ? 64.194 52.341 -12.610 1.00 45.10 ? ? ? ? ? ? 17 DT E "O4'" 1 -ATOM 847 C "C3'" . DT C 1 11 ? 64.002 53.192 -14.862 1.00 49.85 ? ? ? ? ? ? 17 DT E "C3'" 1 -ATOM 848 O "O3'" . DT C 1 11 ? 65.184 53.012 -15.661 1.00 52.17 ? ? ? ? ? ? 17 DT E "O3'" 1 -ATOM 849 C "C2'" . DT C 1 11 ? 63.278 51.860 -14.784 1.00 45.71 ? ? ? ? ? ? 17 DT E "C2'" 1 -ATOM 850 C "C1'" . DT C 1 11 ? 63.541 51.335 -13.356 1.00 47.17 ? ? ? ? ? ? 17 DT E "C1'" 1 -ATOM 851 N N1 . DT C 1 11 ? 62.264 50.996 -12.698 1.00 47.14 ? ? ? ? ? ? 17 DT E N1 1 -ATOM 852 C C2 . DT C 1 11 ? 62.100 49.681 -12.303 1.00 51.28 ? ? ? ? ? ? 17 DT E C2 1 -ATOM 853 O O2 . DT C 1 11 ? 63.003 48.825 -12.412 1.00 48.33 ? ? ? ? ? ? 17 DT E O2 1 -ATOM 854 N N3 . DT C 1 11 ? 60.846 49.399 -11.771 1.00 43.49 ? ? ? ? ? ? 17 DT E N3 1 -ATOM 855 C C4 . DT C 1 11 ? 59.774 50.291 -11.592 1.00 46.51 ? ? ? ? ? ? 17 DT E C4 1 -ATOM 856 O O4 . DT C 1 11 ? 58.658 49.863 -11.140 1.00 39.29 ? ? ? ? ? ? 17 DT E O4 1 -ATOM 857 C C5 . DT C 1 11 ? 60.068 51.671 -11.981 1.00 42.35 ? ? ? ? ? ? 17 DT E C5 1 -ATOM 858 C C7 . DT C 1 11 ? 59.032 52.728 -11.773 1.00 44.19 ? ? ? ? ? ? 17 DT E C7 1 -ATOM 859 C C6 . DT C 1 11 ? 61.268 51.940 -12.510 1.00 40.37 ? ? ? ? ? ? 17 DT E C6 1 -ATOM 860 P P . DG C 1 12 ? 66.107 54.281 -16.042 1.00 55.00 ? ? ? ? ? ? 16 DG E P 1 -ATOM 861 O OP1 . DG C 1 12 ? 67.342 53.808 -16.739 1.00 53.75 ? ? ? ? ? ? 16 DG E OP1 1 -ATOM 862 O OP2 . DG C 1 12 ? 66.211 55.250 -14.921 1.00 48.58 ? ? ? ? ? ? 16 DG E OP2 1 -ATOM 863 O "O5'" . DG C 1 12 ? 65.200 55.084 -17.037 1.00 49.31 ? ? ? ? ? ? 16 DG E "O5'" 1 -ATOM 864 C "C5'" . DG C 1 12 ? 63.824 54.899 -16.964 1.00 46.94 ? ? ? ? ? ? 16 DG E "C5'" 1 -ATOM 865 C "C4'" . DG C 1 12 ? 63.473 53.775 -17.889 1.00 47.78 ? ? ? ? ? ? 16 DG E "C4'" 1 -ATOM 866 O "O4'" . DG C 1 12 ? 62.696 52.796 -17.186 1.00 46.10 ? ? ? ? ? ? 16 DG E "O4'" 1 -ATOM 867 C "C3'" . DG C 1 12 ? 62.662 54.272 -19.081 1.00 47.58 ? ? ? ? ? ? 16 DG E "C3'" 1 -ATOM 868 O "O3'" . DG C 1 12 ? 63.271 53.787 -20.284 1.00 51.79 ? ? ? ? ? ? 16 DG E "O3'" 1 -ATOM 869 C "C2'" . DG C 1 12 ? 61.261 53.740 -18.844 1.00 38.47 ? ? ? ? ? ? 16 DG E "C2'" 1 -ATOM 870 C "C1'" . DG C 1 12 ? 61.452 52.636 -17.824 1.00 45.43 ? ? ? ? ? ? 16 DG E "C1'" 1 -ATOM 871 N N9 . DG C 1 12 ? 60.446 52.622 -16.785 1.00 42.31 ? ? ? ? ? ? 16 DG E N9 1 -ATOM 872 C C8 . DG C 1 12 ? 59.905 53.658 -16.070 1.00 40.73 ? ? ? ? ? ? 16 DG E C8 1 -ATOM 873 N N7 . DG C 1 12 ? 59.002 53.254 -15.207 1.00 48.69 ? ? ? ? ? ? 16 DG E N7 1 -ATOM 874 C C5 . DG C 1 12 ? 58.967 51.862 -15.384 1.00 49.32 ? ? ? ? ? ? 16 DG E C5 1 -ATOM 875 C C6 . DG C 1 12 ? 58.199 50.811 -14.717 1.00 48.44 ? ? ? ? ? ? 16 DG E C6 1 -ATOM 876 O O6 . DG C 1 12 ? 57.352 50.905 -13.824 1.00 55.00 ? ? ? ? ? ? 16 DG E O6 1 -ATOM 877 N N1 . DG C 1 12 ? 58.528 49.552 -15.211 1.00 42.76 ? ? ? ? ? ? 16 DG E N1 1 -ATOM 878 C C2 . DG C 1 12 ? 59.468 49.308 -16.187 1.00 45.90 ? ? ? ? ? ? 16 DG E C2 1 -ATOM 879 N N2 . DG C 1 12 ? 59.707 47.991 -16.545 1.00 48.70 ? ? ? ? ? ? 16 DG E N2 1 -ATOM 880 N N3 . DG C 1 12 ? 60.156 50.259 -16.794 1.00 44.20 ? ? ? ? ? ? 16 DG E N3 1 -ATOM 881 C C4 . DG C 1 12 ? 59.858 51.484 -16.350 1.00 46.58 ? ? ? ? ? ? 16 DG E C4 1 -ATOM 882 P P . DA C 1 13 ? 63.219 54.667 -21.630 1.00 48.78 ? ? ? ? ? ? 15 DA E P 1 -ATOM 883 O OP1 . DA C 1 13 ? 64.491 54.334 -22.319 1.00 49.49 ? ? ? ? ? ? 15 DA E OP1 1 -ATOM 884 O OP2 . DA C 1 13 ? 62.900 56.072 -21.368 1.00 47.04 ? ? ? ? ? ? 15 DA E OP2 1 -ATOM 885 O "O5'" . DA C 1 13 ? 62.003 53.956 -22.388 1.00 50.35 ? ? ? ? ? ? 15 DA E "O5'" 1 -ATOM 886 C "C5'" . DA C 1 13 ? 62.193 52.587 -22.847 1.00 55.00 ? ? ? ? ? ? 15 DA E "C5'" 1 -ATOM 887 C "C4'" . DA C 1 13 ? 60.884 51.882 -23.146 1.00 54.07 ? ? ? ? ? ? 15 DA E "C4'" 1 -ATOM 888 O "O4'" . DA C 1 13 ? 60.057 51.856 -21.951 1.00 55.00 ? ? ? ? ? ? 15 DA E "O4'" 1 -ATOM 889 C "C3'" . DA C 1 13 ? 60.030 52.506 -24.249 1.00 55.00 ? ? ? ? ? ? 15 DA E "C3'" 1 -ATOM 890 O "O3'" . DA C 1 13 ? 59.366 51.441 -24.985 1.00 54.15 ? ? ? ? ? ? 15 DA E "O3'" 1 -ATOM 891 C "C2'" . DA C 1 13 ? 59.060 53.372 -23.439 1.00 55.00 ? ? ? ? ? ? 15 DA E "C2'" 1 -ATOM 892 C "C1'" . DA C 1 13 ? 58.828 52.537 -22.177 1.00 55.00 ? ? ? ? ? ? 15 DA E "C1'" 1 -ATOM 893 N N9 . DA C 1 13 ? 58.442 53.214 -20.916 1.00 55.00 ? ? ? ? ? ? 15 DA E N9 1 -ATOM 894 C C8 . DA C 1 13 ? 58.819 54.415 -20.354 1.00 55.00 ? ? ? ? ? ? 15 DA E C8 1 -ATOM 895 N N7 . DA C 1 13 ? 58.245 54.659 -19.183 1.00 55.00 ? ? ? ? ? ? 15 DA E N7 1 -ATOM 896 C C5 . DA C 1 13 ? 57.441 53.549 -18.966 1.00 55.00 ? ? ? ? ? ? 15 DA E C5 1 -ATOM 897 C C6 . DA C 1 13 ? 56.567 53.166 -17.897 1.00 55.00 ? ? ? ? ? ? 15 DA E C6 1 -ATOM 898 N N6 . DA C 1 13 ? 56.336 53.876 -16.772 1.00 55.00 ? ? ? ? ? ? 15 DA E N6 1 -ATOM 899 N N1 . DA C 1 13 ? 55.919 51.984 -18.024 1.00 51.06 ? ? ? ? ? ? 15 DA E N1 1 -ATOM 900 C C2 . DA C 1 13 ? 56.134 51.243 -19.125 1.00 52.90 ? ? ? ? ? ? 15 DA E C2 1 -ATOM 901 N N3 . DA C 1 13 ? 56.918 51.484 -20.170 1.00 54.93 ? ? ? ? ? ? 15 DA E N3 1 -ATOM 902 C C4 . DA C 1 13 ? 57.548 52.658 -20.028 1.00 55.00 ? ? ? ? ? ? 15 DA E C4 1 -ATOM 903 P P . DC C 1 14 ? 59.195 51.524 -26.604 1.00 55.00 ? ? ? ? ? ? 14 DC E P 1 -ATOM 904 O OP1 . DC C 1 14 ? 60.535 51.396 -27.248 1.00 55.00 ? ? ? ? ? ? 14 DC E OP1 1 -ATOM 905 O OP2 . DC C 1 14 ? 58.305 52.667 -26.991 1.00 47.13 ? ? ? ? ? ? 14 DC E OP2 1 -ATOM 906 O "O5'" . DC C 1 14 ? 58.337 50.217 -26.930 1.00 55.00 ? ? ? ? ? ? 14 DC E "O5'" 1 -ATOM 907 C "C5'" . DC C 1 14 ? 56.944 50.331 -27.221 1.00 55.00 ? ? ? ? ? ? 14 DC E "C5'" 1 -ATOM 908 C "C4'" . DC C 1 14 ? 56.087 49.951 -26.023 1.00 55.00 ? ? ? ? ? ? 14 DC E "C4'" 1 -ATOM 909 O "O4'" . DC C 1 14 ? 56.365 50.736 -24.811 1.00 55.00 ? ? ? ? ? ? 14 DC E "O4'" 1 -ATOM 910 C "C3'" . DC C 1 14 ? 54.592 50.189 -26.301 1.00 55.00 ? ? ? ? ? ? 14 DC E "C3'" 1 -ATOM 911 O "O3'" . DC C 1 14 ? 53.817 49.077 -26.830 1.00 55.00 ? ? ? ? ? ? 14 DC E "O3'" 1 -ATOM 912 C "C2'" . DC C 1 14 ? 54.029 50.720 -24.984 1.00 55.00 ? ? ? ? ? ? 14 DC E "C2'" 1 -ATOM 913 C "C1'" . DC C 1 14 ? 55.192 50.605 -23.992 1.00 55.00 ? ? ? ? ? ? 14 DC E "C1'" 1 -ATOM 914 N N1 . DC C 1 14 ? 55.148 51.659 -22.944 1.00 55.00 ? ? ? ? ? ? 14 DC E N1 1 -ATOM 915 C C2 . DC C 1 14 ? 54.368 51.408 -21.780 1.00 52.47 ? ? ? ? ? ? 14 DC E C2 1 -ATOM 916 O O2 . DC C 1 14 ? 53.796 50.317 -21.678 1.00 52.63 ? ? ? ? ? ? 14 DC E O2 1 -ATOM 917 N N3 . DC C 1 14 ? 54.268 52.375 -20.795 1.00 55.00 ? ? ? ? ? ? 14 DC E N3 1 -ATOM 918 C C4 . DC C 1 14 ? 54.927 53.543 -20.939 1.00 55.00 ? ? ? ? ? ? 14 DC E C4 1 -ATOM 919 N N4 . DC C 1 14 ? 54.818 54.470 -19.936 1.00 54.40 ? ? ? ? ? ? 14 DC E N4 1 -ATOM 920 C C5 . DC C 1 14 ? 55.733 53.817 -22.108 1.00 52.28 ? ? ? ? ? ? 14 DC E C5 1 -ATOM 921 C C6 . DC C 1 14 ? 55.815 52.856 -23.074 1.00 51.39 ? ? ? ? ? ? 14 DC E C6 1 -ATOM 922 O "O5'" . DA D 2 1 ? 52.196 46.541 -24.451 1.00 31.30 ? ? ? ? ? ? 13 DA F "O5'" 1 -ATOM 923 C "C5'" . DA D 2 1 ? 51.581 46.001 -23.228 1.00 41.30 ? ? ? ? ? ? 13 DA F "C5'" 1 -ATOM 924 C "C4'" . DA D 2 1 ? 50.321 46.697 -22.750 1.00 42.45 ? ? ? ? ? ? 13 DA F "C4'" 1 -ATOM 925 O "O4'" . DA D 2 1 ? 50.662 47.980 -22.131 1.00 45.17 ? ? ? ? ? ? 13 DA F "O4'" 1 -ATOM 926 C "C3'" . DA D 2 1 ? 49.321 47.004 -23.875 1.00 44.98 ? ? ? ? ? ? 13 DA F "C3'" 1 -ATOM 927 O "O3'" . DA D 2 1 ? 48.046 46.436 -23.524 1.00 46.35 ? ? ? ? ? ? 13 DA F "O3'" 1 -ATOM 928 C "C2'" . DA D 2 1 ? 49.338 48.533 -23.993 1.00 35.40 ? ? ? ? ? ? 13 DA F "C2'" 1 -ATOM 929 C "C1'" . DA D 2 1 ? 49.751 48.987 -22.598 1.00 38.85 ? ? ? ? ? ? 13 DA F "C1'" 1 -ATOM 930 N N9 . DA D 2 1 ? 50.387 50.318 -22.455 1.00 38.98 ? ? ? ? ? ? 13 DA F N9 1 -ATOM 931 C C8 . DA D 2 1 ? 51.613 50.722 -22.895 1.00 40.38 ? ? ? ? ? ? 13 DA F C8 1 -ATOM 932 N N7 . DA D 2 1 ? 51.899 51.977 -22.596 1.00 42.52 ? ? ? ? ? ? 13 DA F N7 1 -ATOM 933 C C5 . DA D 2 1 ? 50.785 52.437 -21.920 1.00 40.69 ? ? ? ? ? ? 13 DA F C5 1 -ATOM 934 C C6 . DA D 2 1 ? 50.474 53.682 -21.298 1.00 37.34 ? ? ? ? ? ? 13 DA F C6 1 -ATOM 935 N N6 . DA D 2 1 ? 51.265 54.771 -21.281 1.00 31.64 ? ? ? ? ? ? 13 DA F N6 1 -ATOM 936 N N1 . DA D 2 1 ? 49.295 53.785 -20.671 1.00 36.19 ? ? ? ? ? ? 13 DA F N1 1 -ATOM 937 C C2 . DA D 2 1 ? 48.483 52.726 -20.664 1.00 31.26 ? ? ? ? ? ? 13 DA F C2 1 -ATOM 938 N N3 . DA D 2 1 ? 48.648 51.525 -21.195 1.00 36.31 ? ? ? ? ? ? 13 DA F N3 1 -ATOM 939 C C4 . DA D 2 1 ? 49.837 51.433 -21.821 1.00 42.68 ? ? ? ? ? ? 13 DA F C4 1 -ATOM 940 P P . DT D 2 2 ? 46.728 46.691 -24.460 1.00 55.00 ? ? ? ? ? ? 12 DT F P 1 -ATOM 941 O OP1 . DT D 2 2 ? 45.971 45.420 -24.764 1.00 53.90 ? ? ? ? ? ? 12 DT F OP1 1 -ATOM 942 O OP2 . DT D 2 2 ? 47.107 47.604 -25.590 1.00 52.04 ? ? ? ? ? ? 12 DT F OP2 1 -ATOM 943 O "O5'" . DT D 2 2 ? 45.732 47.449 -23.461 1.00 55.00 ? ? ? ? ? ? 12 DT F "O5'" 1 -ATOM 944 C "C5'" . DT D 2 2 ? 46.145 47.837 -22.120 1.00 55.00 ? ? ? ? ? ? 12 DT F "C5'" 1 -ATOM 945 C "C4'" . DT D 2 2 ? 45.278 48.980 -21.632 1.00 52.68 ? ? ? ? ? ? 12 DT F "C4'" 1 -ATOM 946 O "O4'" . DT D 2 2 ? 46.029 50.159 -21.256 1.00 49.10 ? ? ? ? ? ? 12 DT F "O4'" 1 -ATOM 947 C "C3'" . DT D 2 2 ? 44.387 49.439 -22.765 1.00 51.10 ? ? ? ? ? ? 12 DT F "C3'" 1 -ATOM 948 O "O3'" . DT D 2 2 ? 43.335 48.484 -22.774 1.00 45.01 ? ? ? ? ? ? 12 DT F "O3'" 1 -ATOM 949 C "C2'" . DT D 2 2 ? 44.076 50.889 -22.424 1.00 46.07 ? ? ? ? ? ? 12 DT F "C2'" 1 -ATOM 950 C "C1'" . DT D 2 2 ? 45.256 51.319 -21.546 1.00 47.38 ? ? ? ? ? ? 12 DT F "C1'" 1 -ATOM 951 N N1 . DT D 2 2 ? 46.145 52.344 -22.134 1.00 52.18 ? ? ? ? ? ? 12 DT F N1 1 -ATOM 952 C C2 . DT D 2 2 ? 46.130 53.608 -21.549 1.00 50.13 ? ? ? ? ? ? 12 DT F C2 1 -ATOM 953 O O2 . DT D 2 2 ? 45.438 53.903 -20.582 1.00 51.28 ? ? ? ? ? ? 12 DT F O2 1 -ATOM 954 N N3 . DT D 2 2 ? 46.956 54.519 -22.132 1.00 46.57 ? ? ? ? ? ? 12 DT F N3 1 -ATOM 955 C C4 . DT D 2 2 ? 47.789 54.326 -23.192 1.00 55.00 ? ? ? ? ? ? 12 DT F C4 1 -ATOM 956 O O4 . DT D 2 2 ? 48.458 55.256 -23.575 1.00 55.00 ? ? ? ? ? ? 12 DT F O4 1 -ATOM 957 C C5 . DT D 2 2 ? 47.783 52.971 -23.769 1.00 55.00 ? ? ? ? ? ? 12 DT F C5 1 -ATOM 958 C C7 . DT D 2 2 ? 48.680 52.654 -24.930 1.00 50.79 ? ? ? ? ? ? 12 DT F C7 1 -ATOM 959 C C6 . DT D 2 2 ? 46.960 52.063 -23.214 1.00 54.47 ? ? ? ? ? ? 12 DT F C6 1 -ATOM 960 P P . DA D 2 3 ? 41.836 48.933 -22.564 1.00 46.55 ? ? ? ? ? ? 11 DA F P 1 -ATOM 961 O OP1 . DA D 2 3 ? 41.275 47.776 -21.806 1.00 55.00 ? ? ? ? ? ? 11 DA F OP1 1 -ATOM 962 O OP2 . DA D 2 3 ? 41.274 49.315 -23.894 1.00 39.55 ? ? ? ? ? ? 11 DA F OP2 1 -ATOM 963 O "O5'" . DA D 2 3 ? 41.856 50.207 -21.604 1.00 48.88 ? ? ? ? ? ? 11 DA F "O5'" 1 -ATOM 964 C "C5'" . DA D 2 3 ? 41.417 50.113 -20.250 1.00 42.78 ? ? ? ? ? ? 11 DA F "C5'" 1 -ATOM 965 C "C4'" . DA D 2 3 ? 40.939 51.457 -19.738 1.00 35.19 ? ? ? ? ? ? 11 DA F "C4'" 1 -ATOM 966 O "O4'" . DA D 2 3 ? 41.801 52.552 -20.135 1.00 29.52 ? ? ? ? ? ? 11 DA F "O4'" 1 -ATOM 967 C "C3'" . DA D 2 3 ? 39.522 51.866 -20.110 1.00 23.23 ? ? ? ? ? ? 11 DA F "C3'" 1 -ATOM 968 O "O3'" . DA D 2 3 ? 39.007 52.433 -18.920 1.00 21.96 ? ? ? ? ? ? 11 DA F "O3'" 1 -ATOM 969 C "C2'" . DA D 2 3 ? 39.746 52.907 -21.207 1.00 33.06 ? ? ? ? ? ? 11 DA F "C2'" 1 -ATOM 970 C "C1'" . DA D 2 3 ? 41.085 53.558 -20.853 1.00 34.91 ? ? ? ? ? ? 11 DA F "C1'" 1 -ATOM 971 N N9 . DA D 2 3 ? 41.957 53.988 -21.964 1.00 40.51 ? ? ? ? ? ? 11 DA F N9 1 -ATOM 972 C C8 . DA D 2 3 ? 42.041 53.474 -23.229 1.00 40.12 ? ? ? ? ? ? 11 DA F C8 1 -ATOM 973 N N7 . DA D 2 3 ? 42.957 54.053 -23.979 1.00 33.10 ? ? ? ? ? ? 11 DA F N7 1 -ATOM 974 C C5 . DA D 2 3 ? 43.511 55.022 -23.157 1.00 32.05 ? ? ? ? ? ? 11 DA F C5 1 -ATOM 975 C C6 . DA D 2 3 ? 44.559 55.998 -23.355 1.00 30.22 ? ? ? ? ? ? 11 DA F C6 1 -ATOM 976 N N6 . DA D 2 3 ? 45.285 56.170 -24.469 1.00 32.82 ? ? ? ? ? ? 11 DA F N6 1 -ATOM 977 N N1 . DA D 2 3 ? 44.841 56.817 -22.320 1.00 37.16 ? ? ? ? ? ? 11 DA F N1 1 -ATOM 978 C C2 . DA D 2 3 ? 44.136 56.665 -21.167 1.00 40.96 ? ? ? ? ? ? 11 DA F C2 1 -ATOM 979 N N3 . DA D 2 3 ? 43.164 55.802 -20.872 1.00 38.91 ? ? ? ? ? ? 11 DA F N3 1 -ATOM 980 C C4 . DA D 2 3 ? 42.894 55.004 -21.914 1.00 34.63 ? ? ? ? ? ? 11 DA F C4 1 -ATOM 981 P P . DT D 2 4 ? 37.444 52.492 -18.639 1.00 25.31 ? ? ? ? ? ? 10 DT F P 1 -ATOM 982 O OP1 . DT D 2 4 ? 37.439 52.255 -17.212 1.00 21.49 ? ? ? ? ? ? 10 DT F OP1 1 -ATOM 983 O OP2 . DT D 2 4 ? 36.623 51.611 -19.507 1.00 24.13 ? ? ? ? ? ? 10 DT F OP2 1 -ATOM 984 O "O5'" . DT D 2 4 ? 37.177 54.041 -18.904 1.00 29.28 ? ? ? ? ? ? 10 DT F "O5'" 1 -ATOM 985 C "C5'" . DT D 2 4 ? 38.141 54.937 -18.368 1.00 27.46 ? ? ? ? ? ? 10 DT F "C5'" 1 -ATOM 986 C "C4'" . DT D 2 4 ? 37.919 56.362 -18.795 1.00 23.29 ? ? ? ? ? ? 10 DT F "C4'" 1 -ATOM 987 O "O4'" . DT D 2 4 ? 38.799 56.730 -19.866 1.00 30.99 ? ? ? ? ? ? 10 DT F "O4'" 1 -ATOM 988 C "C3'" . DT D 2 4 ? 36.546 56.885 -19.166 1.00 29.20 ? ? ? ? ? ? 10 DT F "C3'" 1 -ATOM 989 O "O3'" . DT D 2 4 ? 36.486 58.027 -18.260 1.00 28.19 ? ? ? ? ? ? 10 DT F "O3'" 1 -ATOM 990 C "C2'" . DT D 2 4 ? 36.656 57.130 -20.684 1.00 26.83 ? ? ? ? ? ? 10 DT F "C2'" 1 -ATOM 991 C "C1'" . DT D 2 4 ? 38.122 57.472 -20.906 1.00 27.54 ? ? ? ? ? ? 10 DT F "C1'" 1 -ATOM 992 N N1 . DT D 2 4 ? 38.894 57.151 -22.187 1.00 38.03 ? ? ? ? ? ? 10 DT F N1 1 -ATOM 993 C C2 . DT D 2 4 ? 39.951 58.016 -22.554 1.00 41.72 ? ? ? ? ? ? 10 DT F C2 1 -ATOM 994 O O2 . DT D 2 4 ? 40.216 59.054 -21.967 1.00 43.80 ? ? ? ? ? ? 10 DT F O2 1 -ATOM 995 N N3 . DT D 2 4 ? 40.686 57.607 -23.641 1.00 38.13 ? ? ? ? ? ? 10 DT F N3 1 -ATOM 996 C C4 . DT D 2 4 ? 40.495 56.485 -24.393 1.00 27.21 ? ? ? ? ? ? 10 DT F C4 1 -ATOM 997 O O4 . DT D 2 4 ? 41.268 56.252 -25.297 1.00 34.86 ? ? ? ? ? ? 10 DT F O4 1 -ATOM 998 C C5 . DT D 2 4 ? 39.364 55.656 -24.018 1.00 28.27 ? ? ? ? ? ? 10 DT F C5 1 -ATOM 999 C C7 . DT D 2 4 ? 39.060 54.429 -24.814 1.00 28.01 ? ? ? ? ? ? 10 DT F C7 1 -ATOM 1000 C C6 . DT D 2 4 ? 38.624 56.027 -22.956 1.00 34.11 ? ? ? ? ? ? 10 DT F C6 1 -ATOM 1001 P P . DG D 2 5 ? 35.672 59.367 -18.605 1.00 19.85 ? ? ? ? ? ? 9 DG F P 1 -ATOM 1002 O OP1 . DG D 2 5 ? 35.538 59.937 -17.258 1.00 29.14 ? ? ? ? ? ? 9 DG F OP1 1 -ATOM 1003 O OP2 . DG D 2 5 ? 34.423 59.200 -19.435 1.00 19.55 ? ? ? ? ? ? 9 DG F OP2 1 -ATOM 1004 O "O5'" . DG D 2 5 ? 36.811 60.228 -19.246 1.00 22.89 ? ? ? ? ? ? 9 DG F "O5'" 1 -ATOM 1005 C "C5'" . DG D 2 5 ? 37.757 60.811 -18.379 1.00 29.57 ? ? ? ? ? ? 9 DG F "C5'" 1 -ATOM 1006 C "C4'" . DG D 2 5 ? 38.074 62.225 -18.806 1.00 25.07 ? ? ? ? ? ? 9 DG F "C4'" 1 -ATOM 1007 O "O4'" . DG D 2 5 ? 38.736 62.193 -20.087 1.00 20.95 ? ? ? ? ? ? 9 DG F "O4'" 1 -ATOM 1008 C "C3'" . DG D 2 5 ? 36.879 63.148 -18.993 1.00 23.23 ? ? ? ? ? ? 9 DG F "C3'" 1 -ATOM 1009 O "O3'" . DG D 2 5 ? 37.364 64.488 -18.898 1.00 34.69 ? ? ? ? ? ? 9 DG F "O3'" 1 -ATOM 1010 C "C2'" . DG D 2 5 ? 36.502 62.869 -20.419 1.00 21.51 ? ? ? ? ? ? 9 DG F "C2'" 1 -ATOM 1011 C "C1'" . DG D 2 5 ? 37.871 62.686 -21.036 1.00 21.86 ? ? ? ? ? ? 9 DG F "C1'" 1 -ATOM 1012 N N9 . DG D 2 5 ? 37.826 61.772 -22.142 1.00 22.16 ? ? ? ? ? ? 9 DG F N9 1 -ATOM 1013 C C8 . DG D 2 5 ? 37.060 60.675 -22.294 1.00 18.22 ? ? ? ? ? ? 9 DG F C8 1 -ATOM 1014 N N7 . DG D 2 5 ? 37.229 60.095 -23.444 1.00 29.66 ? ? ? ? ? ? 9 DG F N7 1 -ATOM 1015 C C5 . DG D 2 5 ? 38.179 60.875 -24.077 1.00 32.74 ? ? ? ? ? ? 9 DG F C5 1 -ATOM 1016 C C6 . DG D 2 5 ? 38.746 60.773 -25.351 1.00 36.61 ? ? ? ? ? ? 9 DG F C6 1 -ATOM 1017 O O6 . DG D 2 5 ? 38.503 59.939 -26.236 1.00 37.57 ? ? ? ? ? ? 9 DG F O6 1 -ATOM 1018 N N1 . DG D 2 5 ? 39.686 61.780 -25.580 1.00 33.84 ? ? ? ? ? ? 9 DG F N1 1 -ATOM 1019 C C2 . DG D 2 5 ? 40.027 62.770 -24.680 1.00 39.28 ? ? ? ? ? ? 9 DG F C2 1 -ATOM 1020 N N2 . DG D 2 5 ? 40.984 63.670 -25.035 1.00 37.76 ? ? ? ? ? ? 9 DG F N2 1 -ATOM 1021 N N3 . DG D 2 5 ? 39.474 62.877 -23.500 1.00 37.04 ? ? ? ? ? ? 9 DG F N3 1 -ATOM 1022 C C4 . DG D 2 5 ? 38.566 61.899 -23.271 1.00 33.89 ? ? ? ? ? ? 9 DG F C4 1 -ATOM 1023 P P . DT D 2 6 ? 36.400 65.721 -19.210 1.00 36.67 ? ? ? ? ? ? 8 DT F P 1 -ATOM 1024 O OP1 . DT D 2 6 ? 36.894 66.806 -18.292 1.00 36.61 ? ? ? ? ? ? 8 DT F OP1 1 -ATOM 1025 O OP2 . DT D 2 6 ? 34.989 65.228 -19.094 1.00 27.67 ? ? ? ? ? ? 8 DT F OP2 1 -ATOM 1026 O "O5'" . DT D 2 6 ? 36.698 66.089 -20.755 1.00 39.41 ? ? ? ? ? ? 8 DT F "O5'" 1 -ATOM 1027 C "C5'" . DT D 2 6 ? 38.050 66.099 -21.274 1.00 39.26 ? ? ? ? ? ? 8 DT F "C5'" 1 -ATOM 1028 C "C4'" . DT D 2 6 ? 38.192 67.018 -22.471 1.00 33.08 ? ? ? ? ? ? 8 DT F "C4'" 1 -ATOM 1029 O "O4'" . DT D 2 6 ? 38.414 66.244 -23.683 1.00 31.25 ? ? ? ? ? ? 8 DT F "O4'" 1 -ATOM 1030 C "C3'" . DT D 2 6 ? 36.968 67.883 -22.727 1.00 32.96 ? ? ? ? ? ? 8 DT F "C3'" 1 -ATOM 1031 O "O3'" . DT D 2 6 ? 37.319 69.115 -23.352 1.00 34.95 ? ? ? ? ? ? 8 DT F "O3'" 1 -ATOM 1032 C "C2'" . DT D 2 6 ? 36.193 67.060 -23.714 1.00 32.42 ? ? ? ? ? ? 8 DT F "C2'" 1 -ATOM 1033 C "C1'" . DT D 2 6 ? 37.288 66.371 -24.525 1.00 33.16 ? ? ? ? ? ? 8 DT F "C1'" 1 -ATOM 1034 N N1 . DT D 2 6 ? 36.805 65.033 -24.971 1.00 28.95 ? ? ? ? ? ? 8 DT F N1 1 -ATOM 1035 C C2 . DT D 2 6 ? 37.477 64.342 -25.924 1.00 29.83 ? ? ? ? ? ? 8 DT F C2 1 -ATOM 1036 O O2 . DT D 2 6 ? 38.498 64.732 -26.403 1.00 40.47 ? ? ? ? ? ? 8 DT F O2 1 -ATOM 1037 N N3 . DT D 2 6 ? 36.910 63.171 -26.298 1.00 28.22 ? ? ? ? ? ? 8 DT F N3 1 -ATOM 1038 C C4 . DT D 2 6 ? 35.758 62.623 -25.816 1.00 26.31 ? ? ? ? ? ? 8 DT F C4 1 -ATOM 1039 O O4 . DT D 2 6 ? 35.362 61.579 -26.263 1.00 33.65 ? ? ? ? ? ? 8 DT F O4 1 -ATOM 1040 C C5 . DT D 2 6 ? 35.100 63.369 -24.793 1.00 28.16 ? ? ? ? ? ? 8 DT F C5 1 -ATOM 1041 C C7 . DT D 2 6 ? 33.830 62.824 -24.188 1.00 24.72 ? ? ? ? ? ? 8 DT F C7 1 -ATOM 1042 C C6 . DT D 2 6 ? 35.652 64.527 -24.420 1.00 27.42 ? ? ? ? ? ? 8 DT F C6 1 -ATOM 1043 P P . DC D 2 7 ? 36.433 70.448 -23.065 1.00 41.78 ? ? ? ? ? ? 7 DC F P 1 -ATOM 1044 O OP1 . DC D 2 7 ? 37.409 71.404 -22.521 1.00 42.03 ? ? ? ? ? ? 7 DC F OP1 1 -ATOM 1045 O OP2 . DC D 2 7 ? 35.115 70.273 -22.361 1.00 33.42 ? ? ? ? ? ? 7 DC F OP2 1 -ATOM 1046 O "O5'" . DC D 2 7 ? 36.070 70.940 -24.525 1.00 36.89 ? ? ? ? ? ? 7 DC F "O5'" 1 -ATOM 1047 C "C5'" . DC D 2 7 ? 37.074 71.156 -25.522 1.00 28.88 ? ? ? ? ? ? 7 DC F "C5'" 1 -ATOM 1048 C "C4'" . DC D 2 7 ? 36.363 71.298 -26.830 1.00 30.64 ? ? ? ? ? ? 7 DC F "C4'" 1 -ATOM 1049 O "O4'" . DC D 2 7 ? 36.028 69.937 -27.246 1.00 25.93 ? ? ? ? ? ? 7 DC F "O4'" 1 -ATOM 1050 C "C3'" . DC D 2 7 ? 35.039 72.004 -26.488 1.00 38.23 ? ? ? ? ? ? 7 DC F "C3'" 1 -ATOM 1051 O "O3'" . DC D 2 7 ? 34.697 73.146 -27.282 1.00 43.55 ? ? ? ? ? ? 7 DC F "O3'" 1 -ATOM 1052 C "C2'" . DC D 2 7 ? 33.981 70.932 -26.586 1.00 38.97 ? ? ? ? ? ? 7 DC F "C2'" 1 -ATOM 1053 C "C1'" . DC D 2 7 ? 34.618 69.853 -27.453 1.00 40.17 ? ? ? ? ? ? 7 DC F "C1'" 1 -ATOM 1054 N N1 . DC D 2 7 ? 34.074 68.496 -27.113 1.00 38.99 ? ? ? ? ? ? 7 DC F N1 1 -ATOM 1055 C C2 . DC D 2 7 ? 34.634 67.312 -27.657 1.00 39.07 ? ? ? ? ? ? 7 DC F C2 1 -ATOM 1056 O O2 . DC D 2 7 ? 35.623 67.386 -28.434 1.00 45.21 ? ? ? ? ? ? 7 DC F O2 1 -ATOM 1057 N N3 . DC D 2 7 ? 34.066 66.115 -27.324 1.00 27.67 ? ? ? ? ? ? 7 DC F N3 1 -ATOM 1058 C C4 . DC D 2 7 ? 33.017 66.081 -26.524 1.00 29.36 ? ? ? ? ? ? 7 DC F C4 1 -ATOM 1059 N N4 . DC D 2 7 ? 32.503 64.931 -26.254 1.00 28.91 ? ? ? ? ? ? 7 DC F N4 1 -ATOM 1060 C C5 . DC D 2 7 ? 32.447 67.243 -25.967 1.00 40.15 ? ? ? ? ? ? 7 DC F C5 1 -ATOM 1061 C C6 . DC D 2 7 ? 32.994 68.410 -26.273 1.00 40.85 ? ? ? ? ? ? 7 DC F C6 1 -ATOM 1062 P P . DA D 2 8 ? 33.414 74.059 -26.862 1.00 53.93 ? ? ? ? ? ? 6 DA F P 1 -ATOM 1063 O OP1 . DA D 2 8 ? 34.057 75.392 -26.618 1.00 55.00 ? ? ? ? ? ? 6 DA F OP1 1 -ATOM 1064 O OP2 . DA D 2 8 ? 32.496 73.443 -25.823 1.00 39.57 ? ? ? ? ? ? 6 DA F OP2 1 -ATOM 1065 O "O5'" . DA D 2 8 ? 32.554 74.101 -28.196 1.00 46.92 ? ? ? ? ? ? 6 DA F "O5'" 1 -ATOM 1066 C "C5'" . DA D 2 8 ? 33.167 73.698 -29.403 1.00 42.42 ? ? ? ? ? ? 6 DA F "C5'" 1 -ATOM 1067 C "C4'" . DA D 2 8 ? 32.126 73.396 -30.447 1.00 50.70 ? ? ? ? ? ? 6 DA F "C4'" 1 -ATOM 1068 O "O4'" . DA D 2 8 ? 31.749 72.009 -30.415 1.00 49.45 ? ? ? ? ? ? 6 DA F "O4'" 1 -ATOM 1069 C "C3'" . DA D 2 8 ? 30.829 74.166 -30.296 1.00 47.93 ? ? ? ? ? ? 6 DA F "C3'" 1 -ATOM 1070 O "O3'" . DA D 2 8 ? 30.318 74.255 -31.642 1.00 53.68 ? ? ? ? ? ? 6 DA F "O3'" 1 -ATOM 1071 C "C2'" . DA D 2 8 ? 30.033 73.228 -29.398 1.00 47.48 ? ? ? ? ? ? 6 DA F "C2'" 1 -ATOM 1072 C "C1'" . DA D 2 8 ? 30.399 71.884 -29.994 1.00 53.11 ? ? ? ? ? ? 6 DA F "C1'" 1 -ATOM 1073 N N9 . DA D 2 8 ? 30.361 70.722 -29.116 1.00 51.97 ? ? ? ? ? ? 6 DA F N9 1 -ATOM 1074 C C8 . DA D 2 8 ? 30.682 70.603 -27.790 1.00 42.75 ? ? ? ? ? ? 6 DA F C8 1 -ATOM 1075 N N7 . DA D 2 8 ? 30.560 69.386 -27.331 1.00 47.98 ? ? ? ? ? ? 6 DA F N7 1 -ATOM 1076 C C5 . DA D 2 8 ? 30.124 68.657 -28.434 1.00 53.16 ? ? ? ? ? ? 6 DA F C5 1 -ATOM 1077 C C6 . DA D 2 8 ? 29.817 67.295 -28.615 1.00 55.00 ? ? ? ? ? ? 6 DA F C6 1 -ATOM 1078 N N6 . DA D 2 8 ? 29.913 66.396 -27.634 1.00 55.00 ? ? ? ? ? ? 6 DA F N6 1 -ATOM 1079 N N1 . DA D 2 8 ? 29.407 66.886 -29.851 1.00 52.93 ? ? ? ? ? ? 6 DA F N1 1 -ATOM 1080 C C2 . DA D 2 8 ? 29.322 67.794 -30.821 1.00 44.78 ? ? ? ? ? ? 6 DA F C2 1 -ATOM 1081 N N3 . DA D 2 8 ? 29.590 69.102 -30.771 1.00 54.97 ? ? ? ? ? ? 6 DA F N3 1 -ATOM 1082 C C4 . DA D 2 8 ? 29.990 69.469 -29.533 1.00 53.44 ? ? ? ? ? ? 6 DA F C4 1 -ATOM 1083 P P . DC D 2 9 ? 29.468 75.536 -32.143 1.00 46.67 ? ? ? ? ? ? 5 DC F P 1 -ATOM 1084 O OP1 . DC D 2 9 ? 30.257 75.987 -33.325 1.00 50.45 ? ? ? ? ? ? 5 DC F OP1 1 -ATOM 1085 O OP2 . DC D 2 9 ? 29.119 76.521 -31.047 1.00 49.02 ? ? ? ? ? ? 5 DC F OP2 1 -ATOM 1086 O "O5'" . DC D 2 9 ? 28.130 74.833 -32.651 1.00 41.87 ? ? ? ? ? ? 5 DC F "O5'" 1 -ATOM 1087 C "C5'" . DC D 2 9 ? 28.210 73.631 -33.429 1.00 45.32 ? ? ? ? ? ? 5 DC F "C5'" 1 -ATOM 1088 C "C4'" . DC D 2 9 ? 26.855 72.979 -33.548 1.00 42.97 ? ? ? ? ? ? 5 DC F "C4'" 1 -ATOM 1089 O "O4'" . DC D 2 9 ? 26.819 71.829 -32.685 1.00 49.20 ? ? ? ? ? ? 5 DC F "O4'" 1 -ATOM 1090 C "C3'" . DC D 2 9 ? 25.672 73.850 -33.143 1.00 42.69 ? ? ? ? ? ? 5 DC F "C3'" 1 -ATOM 1091 O "O3'" . DC D 2 9 ? 24.552 73.544 -34.010 1.00 50.45 ? ? ? ? ? ? 5 DC F "O3'" 1 -ATOM 1092 C "C2'" . DC D 2 9 ? 25.412 73.420 -31.696 1.00 44.72 ? ? ? ? ? ? 5 DC F "C2'" 1 -ATOM 1093 C "C1'" . DC D 2 9 ? 25.736 71.926 -31.738 1.00 50.94 ? ? ? ? ? ? 5 DC F "C1'" 1 -ATOM 1094 N N1 . DC D 2 9 ? 26.172 71.245 -30.469 1.00 46.13 ? ? ? ? ? ? 5 DC F N1 1 -ATOM 1095 C C2 . DC D 2 9 ? 26.309 69.818 -30.451 1.00 51.37 ? ? ? ? ? ? 5 DC F C2 1 -ATOM 1096 O O2 . DC D 2 9 ? 26.042 69.165 -31.466 1.00 53.46 ? ? ? ? ? ? 5 DC F O2 1 -ATOM 1097 N N3 . DC D 2 9 ? 26.727 69.192 -29.320 1.00 54.36 ? ? ? ? ? ? 5 DC F N3 1 -ATOM 1098 C C4 . DC D 2 9 ? 27.000 69.907 -28.228 1.00 54.99 ? ? ? ? ? ? 5 DC F C4 1 -ATOM 1099 N N4 . DC D 2 9 ? 27.414 69.243 -27.139 1.00 46.19 ? ? ? ? ? ? 5 DC F N4 1 -ATOM 1100 C C5 . DC D 2 9 ? 26.863 71.338 -28.204 1.00 52.13 ? ? ? ? ? ? 5 DC F C5 1 -ATOM 1101 C C6 . DC D 2 9 ? 26.449 71.958 -29.335 1.00 49.39 ? ? ? ? ? ? 5 DC F C6 1 -ATOM 1102 P P . DA D 2 10 ? 24.433 74.190 -35.511 1.00 45.95 ? ? ? ? ? ? 4 DA F P 1 -ATOM 1103 O OP1 . DA D 2 10 ? 25.683 74.053 -36.303 1.00 34.48 ? ? ? ? ? ? 4 DA F OP1 1 -ATOM 1104 O OP2 . DA D 2 10 ? 23.812 75.534 -35.333 1.00 39.41 ? ? ? ? ? ? 4 DA F OP2 1 -ATOM 1105 O "O5'" . DA D 2 10 ? 23.388 73.213 -36.229 1.00 42.50 ? ? ? ? ? ? 4 DA F "O5'" 1 -ATOM 1106 C "C5'" . DA D 2 10 ? 23.835 72.267 -37.213 1.00 38.52 ? ? ? ? ? ? 4 DA F "C5'" 1 -ATOM 1107 C "C4'" . DA D 2 10 ? 23.231 70.892 -36.991 1.00 35.99 ? ? ? ? ? ? 4 DA F "C4'" 1 -ATOM 1108 O "O4'" . DA D 2 10 ? 23.530 70.482 -35.643 1.00 37.73 ? ? ? ? ? ? 4 DA F "O4'" 1 -ATOM 1109 C "C3'" . DA D 2 10 ? 21.723 70.673 -37.200 1.00 35.99 ? ? ? ? ? ? 4 DA F "C3'" 1 -ATOM 1110 O "O3'" . DA D 2 10 ? 21.567 69.482 -38.026 1.00 35.44 ? ? ? ? ? ? 4 DA F "O3'" 1 -ATOM 1111 C "C2'" . DA D 2 10 ? 21.180 70.516 -35.785 1.00 33.37 ? ? ? ? ? ? 4 DA F "C2'" 1 -ATOM 1112 C "C1'" . DA D 2 10 ? 22.375 70.004 -34.966 1.00 38.01 ? ? ? ? ? ? 4 DA F "C1'" 1 -ATOM 1113 N N9 . DA D 2 10 ? 22.524 70.426 -33.556 1.00 38.99 ? ? ? ? ? ? 4 DA F N9 1 -ATOM 1114 C C8 . DA D 2 10 ? 22.369 71.682 -33.021 1.00 43.06 ? ? ? ? ? ? 4 DA F C8 1 -ATOM 1115 N N7 . DA D 2 10 ? 22.607 71.748 -31.718 1.00 42.94 ? ? ? ? ? ? 4 DA F N7 1 -ATOM 1116 C C5 . DA D 2 10 ? 22.936 70.456 -31.370 1.00 44.85 ? ? ? ? ? ? 4 DA F C5 1 -ATOM 1117 C C6 . DA D 2 10 ? 23.314 69.859 -30.120 1.00 47.21 ? ? ? ? ? ? 4 DA F C6 1 -ATOM 1118 N N6 . DA D 2 10 ? 23.425 70.512 -28.951 1.00 39.79 ? ? ? ? ? ? 4 DA F N6 1 -ATOM 1119 N N1 . DA D 2 10 ? 23.580 68.533 -30.121 1.00 47.12 ? ? ? ? ? ? 4 DA F N1 1 -ATOM 1120 C C2 . DA D 2 10 ? 23.469 67.861 -31.305 1.00 47.74 ? ? ? ? ? ? 4 DA F C2 1 -ATOM 1121 N N3 . DA D 2 10 ? 23.130 68.307 -32.522 1.00 40.17 ? ? ? ? ? ? 4 DA F N3 1 -ATOM 1122 C C4 . DA D 2 10 ? 22.878 69.620 -32.491 1.00 44.31 ? ? ? ? ? ? 4 DA F C4 1 -ATOM 1123 P P . DC D 2 11 ? 20.095 68.958 -38.513 1.00 47.89 ? ? ? ? ? ? 3 DC F P 1 -ATOM 1124 O OP1 . DC D 2 11 ? 20.241 68.290 -39.818 1.00 36.78 ? ? ? ? ? ? 3 DC F OP1 1 -ATOM 1125 O OP2 . DC D 2 11 ? 19.014 69.985 -38.333 1.00 39.32 ? ? ? ? ? ? 3 DC F OP2 1 -ATOM 1126 O "O5'" . DC D 2 11 ? 19.816 67.764 -37.506 1.00 45.40 ? ? ? ? ? ? 3 DC F "O5'" 1 -ATOM 1127 C "C5'" . DC D 2 11 ? 20.904 67.079 -36.902 1.00 41.57 ? ? ? ? ? ? 3 DC F "C5'" 1 -ATOM 1128 C "C4'" . DC D 2 11 ? 20.377 66.265 -35.761 1.00 39.86 ? ? ? ? ? ? 3 DC F "C4'" 1 -ATOM 1129 O "O4'" . DC D 2 11 ? 20.571 67.009 -34.539 1.00 38.80 ? ? ? ? ? ? 3 DC F "O4'" 1 -ATOM 1130 C "C3'" . DC D 2 11 ? 18.867 66.061 -35.924 1.00 38.18 ? ? ? ? ? ? 3 DC F "C3'" 1 -ATOM 1131 O "O3'" . DC D 2 11 ? 18.538 64.677 -35.799 1.00 41.93 ? ? ? ? ? ? 3 DC F "O3'" 1 -ATOM 1132 C "C2'" . DC D 2 11 ? 18.252 66.909 -34.824 1.00 34.44 ? ? ? ? ? ? 3 DC F "C2'" 1 -ATOM 1133 C "C1'" . DC D 2 11 ? 19.360 66.955 -33.780 1.00 44.33 ? ? ? ? ? ? 3 DC F "C1'" 1 -ATOM 1134 N N1 . DC D 2 11 ? 19.335 68.103 -32.828 1.00 44.31 ? ? ? ? ? ? 3 DC F N1 1 -ATOM 1135 C C2 . DC D 2 11 ? 19.130 67.874 -31.472 1.00 36.70 ? ? ? ? ? ? 3 DC F C2 1 -ATOM 1136 O O2 . DC D 2 11 ? 18.968 66.738 -31.036 1.00 32.60 ? ? ? ? ? ? 3 DC F O2 1 -ATOM 1137 N N3 . DC D 2 11 ? 19.122 68.905 -30.647 1.00 37.26 ? ? ? ? ? ? 3 DC F N3 1 -ATOM 1138 C C4 . DC D 2 11 ? 19.315 70.137 -31.089 1.00 35.75 ? ? ? ? ? ? 3 DC F C4 1 -ATOM 1139 N N4 . DC D 2 11 ? 19.324 71.093 -30.184 1.00 38.64 ? ? ? ? ? ? 3 DC F N4 1 -ATOM 1140 C C5 . DC D 2 11 ? 19.512 70.419 -32.437 1.00 37.10 ? ? ? ? ? ? 3 DC F C5 1 -ATOM 1141 C C6 . DC D 2 11 ? 19.516 69.381 -33.275 1.00 46.31 ? ? ? ? ? ? 3 DC F C6 1 -ATOM 1142 P P . DT D 2 12 ? 16.998 64.236 -35.654 1.00 50.71 ? ? ? ? ? ? 2 DT F P 1 -ATOM 1143 O OP1 . DT D 2 12 ? 16.766 62.963 -36.394 1.00 53.39 ? ? ? ? ? ? 2 DT F OP1 1 -ATOM 1144 O OP2 . DT D 2 12 ? 16.169 65.423 -35.958 1.00 48.71 ? ? ? ? ? ? 2 DT F OP2 1 -ATOM 1145 O "O5'" . DT D 2 12 ? 16.793 63.922 -34.088 1.00 55.00 ? ? ? ? ? ? 2 DT F "O5'" 1 -ATOM 1146 C "C5'" . DT D 2 12 ? 17.625 62.959 -33.412 1.00 45.84 ? ? ? ? ? ? 2 DT F "C5'" 1 -ATOM 1147 C "C4'" . DT D 2 12 ? 17.117 62.673 -32.016 1.00 42.40 ? ? ? ? ? ? 2 DT F "C4'" 1 -ATOM 1148 O "O4'" . DT D 2 12 ? 17.342 63.812 -31.161 1.00 41.36 ? ? ? ? ? ? 2 DT F "O4'" 1 -ATOM 1149 C "C3'" . DT D 2 12 ? 15.640 62.293 -31.869 1.00 43.22 ? ? ? ? ? ? 2 DT F "C3'" 1 -ATOM 1150 O "O3'" . DT D 2 12 ? 15.595 61.140 -30.989 1.00 31.01 ? ? ? ? ? ? 2 DT F "O3'" 1 -ATOM 1151 C "C2'" . DT D 2 12 ? 15.006 63.560 -31.304 1.00 37.22 ? ? ? ? ? ? 2 DT F "C2'" 1 -ATOM 1152 C "C1'" . DT D 2 12 ? 16.144 64.164 -30.494 1.00 42.95 ? ? ? ? ? ? 2 DT F "C1'" 1 -ATOM 1153 N N1 . DT D 2 12 ? 16.141 65.626 -30.366 1.00 40.49 ? ? ? ? ? ? 2 DT F N1 1 -ATOM 1154 C C2 . DT D 2 12 ? 16.151 66.163 -29.115 1.00 43.06 ? ? ? ? ? ? 2 DT F C2 1 -ATOM 1155 O O2 . DT D 2 12 ? 16.173 65.484 -28.112 1.00 47.23 ? ? ? ? ? ? 2 DT F O2 1 -ATOM 1156 N N3 . DT D 2 12 ? 16.142 67.531 -29.071 1.00 46.85 ? ? ? ? ? ? 2 DT F N3 1 -ATOM 1157 C C4 . DT D 2 12 ? 16.132 68.391 -30.137 1.00 48.20 ? ? ? ? ? ? 2 DT F C4 1 -ATOM 1158 O O4 . DT D 2 12 ? 16.113 69.595 -29.945 1.00 43.15 ? ? ? ? ? ? 2 DT F O4 1 -ATOM 1159 C C5 . DT D 2 12 ? 16.141 67.755 -31.433 1.00 48.16 ? ? ? ? ? ? 2 DT F C5 1 -ATOM 1160 C C7 . DT D 2 12 ? 16.164 68.603 -32.665 1.00 53.06 ? ? ? ? ? ? 2 DT F C7 1 -ATOM 1161 C C6 . DT D 2 12 ? 16.134 66.420 -31.478 1.00 43.85 ? ? ? ? ? ? 2 DT F C6 1 -ATOM 1162 P P . DT D 2 13 ? 14.211 60.367 -30.683 1.00 37.37 ? ? ? ? ? ? 1 DT F P 1 -ATOM 1163 O OP1 . DT D 2 13 ? 14.670 58.976 -30.506 1.00 37.79 ? ? ? ? ? ? 1 DT F OP1 1 -ATOM 1164 O OP2 . DT D 2 13 ? 13.087 60.673 -31.585 1.00 41.13 ? ? ? ? ? ? 1 DT F OP2 1 -ATOM 1165 O "O5'" . DT D 2 13 ? 13.816 60.894 -29.251 1.00 39.30 ? ? ? ? ? ? 1 DT F "O5'" 1 -ATOM 1166 C "C5'" . DT D 2 13 ? 14.780 60.741 -28.217 1.00 44.59 ? ? ? ? ? ? 1 DT F "C5'" 1 -ATOM 1167 C "C4'" . DT D 2 13 ? 14.428 61.566 -27.007 1.00 43.29 ? ? ? ? ? ? 1 DT F "C4'" 1 -ATOM 1168 O "O4'" . DT D 2 13 ? 14.473 62.950 -27.389 1.00 40.87 ? ? ? ? ? ? 1 DT F "O4'" 1 -ATOM 1169 C "C3'" . DT D 2 13 ? 13.051 61.303 -26.387 1.00 35.48 ? ? ? ? ? ? 1 DT F "C3'" 1 -ATOM 1170 O "O3'" . DT D 2 13 ? 13.270 60.727 -25.087 1.00 27.20 ? ? ? ? ? ? 1 DT F "O3'" 1 -ATOM 1171 C "C2'" . DT D 2 13 ? 12.371 62.674 -26.395 1.00 38.90 ? ? ? ? ? ? 1 DT F "C2'" 1 -ATOM 1172 C "C1'" . DT D 2 13 ? 13.505 63.655 -26.648 1.00 39.45 ? ? ? ? ? ? 1 DT F "C1'" 1 -ATOM 1173 N N1 . DT D 2 13 ? 13.227 64.908 -27.390 1.00 45.13 ? ? ? ? ? ? 1 DT F N1 1 -ATOM 1174 C C2 . DT D 2 13 ? 12.983 66.063 -26.645 1.00 47.04 ? ? ? ? ? ? 1 DT F C2 1 -ATOM 1175 O O2 . DT D 2 13 ? 12.954 66.077 -25.422 1.00 45.09 ? ? ? ? ? ? 1 DT F O2 1 -ATOM 1176 N N3 . DT D 2 13 ? 12.777 67.215 -27.393 1.00 48.66 ? ? ? ? ? ? 1 DT F N3 1 -ATOM 1177 C C4 . DT D 2 13 ? 12.788 67.338 -28.778 1.00 45.61 ? ? ? ? ? ? 1 DT F C4 1 -ATOM 1178 O O4 . DT D 2 13 ? 12.612 68.462 -29.282 1.00 42.66 ? ? ? ? ? ? 1 DT F O4 1 -ATOM 1179 C C5 . DT D 2 13 ? 13.029 66.055 -29.519 1.00 46.36 ? ? ? ? ? ? 1 DT F C5 1 -ATOM 1180 C C7 . DT D 2 13 ? 13.038 66.047 -31.023 1.00 32.80 ? ? ? ? ? ? 1 DT F C7 1 -ATOM 1181 C C6 . DT D 2 13 ? 13.230 64.933 -28.786 1.00 42.10 ? ? ? ? ? ? 1 DT F C6 1 -ATOM 1182 P P . DT D 2 14 ? 12.041 60.373 -24.103 1.00 29.86 ? ? ? ? ? ? -1 DT F P 1 -ATOM 1183 O OP1 . DT D 2 14 ? 12.653 59.369 -23.228 1.00 32.32 ? ? ? ? ? ? -1 DT F OP1 1 -ATOM 1184 O OP2 . DT D 2 14 ? 10.742 60.052 -24.723 1.00 26.97 ? ? ? ? ? ? -1 DT F OP2 1 -ATOM 1185 O "O5'" . DT D 2 14 ? 11.836 61.724 -23.286 1.00 29.26 ? ? ? ? ? ? -1 DT F "O5'" 1 -ATOM 1186 C "C5'" . DT D 2 14 ? 12.940 62.296 -22.597 1.00 26.87 ? ? ? ? ? ? -1 DT F "C5'" 1 -ATOM 1187 C "C4'" . DT D 2 14 ? 12.530 63.513 -21.795 1.00 34.36 ? ? ? ? ? ? -1 DT F "C4'" 1 -ATOM 1188 O "O4'" . DT D 2 14 ? 12.483 64.727 -22.577 1.00 33.07 ? ? ? ? ? ? -1 DT F "O4'" 1 -ATOM 1189 C "C3'" . DT D 2 14 ? 11.238 63.454 -20.975 1.00 25.90 ? ? ? ? ? ? -1 DT F "C3'" 1 -ATOM 1190 O "O3'" . DT D 2 14 ? 11.638 63.910 -19.689 1.00 29.62 ? ? ? ? ? ? -1 DT F "O3'" 1 -ATOM 1191 C "C2'" . DT D 2 14 ? 10.336 64.462 -21.654 1.00 26.94 ? ? ? ? ? ? -1 DT F "C2'" 1 -ATOM 1192 C "C1'" . DT D 2 14 ? 11.327 65.492 -22.217 1.00 37.00 ? ? ? ? ? ? -1 DT F "C1'" 1 -ATOM 1193 N N1 . DT D 2 14 ? 10.823 66.158 -23.458 1.00 39.62 ? ? ? ? ? ? -1 DT F N1 1 -ATOM 1194 C C2 . DT D 2 14 ? 10.977 67.524 -23.720 1.00 31.97 ? ? ? ? ? ? -1 DT F C2 1 -ATOM 1195 O O2 . DT D 2 14 ? 11.529 68.329 -23.004 1.00 23.30 ? ? ? ? ? ? -1 DT F O2 1 -ATOM 1196 N N3 . DT D 2 14 ? 10.440 67.908 -24.903 1.00 38.09 ? ? ? ? ? ? -1 DT F N3 1 -ATOM 1197 C C4 . DT D 2 14 ? 9.791 67.126 -25.835 1.00 36.94 ? ? ? ? ? ? -1 DT F C4 1 -ATOM 1198 O O4 . DT D 2 14 ? 9.379 67.645 -26.859 1.00 43.13 ? ? ? ? ? ? -1 DT F O4 1 -ATOM 1199 C C5 . DT D 2 14 ? 9.666 65.742 -25.503 1.00 33.31 ? ? ? ? ? ? -1 DT F C5 1 -ATOM 1200 C C7 . DT D 2 14 ? 8.969 64.811 -26.435 1.00 33.24 ? ? ? ? ? ? -1 DT F C7 1 -ATOM 1201 C C6 . DT D 2 14 ? 10.180 65.338 -24.359 1.00 39.53 ? ? ? ? ? ? -1 DT F C6 1 -ATOM 1202 P P . DT D 2 15 ? 10.635 63.887 -18.449 1.00 33.08 ? ? ? ? ? ? -2 DT F P 1 -ATOM 1203 O OP1 . DT D 2 15 ? 11.466 63.544 -17.268 1.00 35.70 ? ? ? ? ? ? -2 DT F OP1 1 -ATOM 1204 O OP2 . DT D 2 15 ? 9.448 63.059 -18.777 1.00 22.39 ? ? ? ? ? ? -2 DT F OP2 1 -ATOM 1205 O "O5'" . DT D 2 15 ? 10.324 65.440 -18.320 1.00 39.52 ? ? ? ? ? ? -2 DT F "O5'" 1 -ATOM 1206 C "C5'" . DT D 2 15 ? 11.407 66.369 -18.330 1.00 37.29 ? ? ? ? ? ? -2 DT F "C5'" 1 -ATOM 1207 C "C4'" . DT D 2 15 ? 10.894 67.779 -18.480 1.00 38.91 ? ? ? ? ? ? -2 DT F "C4'" 1 -ATOM 1208 O "O4'" . DT D 2 15 ? 10.477 68.026 -19.835 1.00 37.89 ? ? ? ? ? ? -2 DT F "O4'" 1 -ATOM 1209 C "C3'" . DT D 2 15 ? 9.705 68.158 -17.602 1.00 35.31 ? ? ? ? ? ? -2 DT F "C3'" 1 -ATOM 1210 O "O3'" . DT D 2 15 ? 10.103 69.353 -16.945 1.00 37.19 ? ? ? ? ? ? -2 DT F "O3'" 1 -ATOM 1211 C "C2'" . DT D 2 15 ? 8.556 68.387 -18.593 1.00 32.70 ? ? ? ? ? ? -2 DT F "C2'" 1 -ATOM 1212 C "C1'" . DT D 2 15 ? 9.260 68.790 -19.870 1.00 29.02 ? ? ? ? ? ? -2 DT F "C1'" 1 -ATOM 1213 N N1 . DT D 2 15 ? 8.613 68.484 -21.196 1.00 33.93 ? ? ? ? ? ? -2 DT F N1 1 -ATOM 1214 C C2 . DT D 2 15 ? 8.593 69.436 -22.228 1.00 26.19 ? ? ? ? ? ? -2 DT F C2 1 -ATOM 1215 O O2 . DT D 2 15 ? 9.008 70.557 -22.115 1.00 19.70 ? ? ? ? ? ? -2 DT F O2 1 -ATOM 1216 N N3 . DT D 2 15 ? 8.041 68.994 -23.399 1.00 28.92 ? ? ? ? ? ? -2 DT F N3 1 -ATOM 1217 C C4 . DT D 2 15 ? 7.494 67.749 -23.642 1.00 35.65 ? ? ? ? ? ? -2 DT F C4 1 -ATOM 1218 O O4 . DT D 2 15 ? 7.040 67.503 -24.734 1.00 36.13 ? ? ? ? ? ? -2 DT F O4 1 -ATOM 1219 C C5 . DT D 2 15 ? 7.518 66.826 -22.522 1.00 39.74 ? ? ? ? ? ? -2 DT F C5 1 -ATOM 1220 C C7 . DT D 2 15 ? 6.937 65.459 -22.670 1.00 41.57 ? ? ? ? ? ? -2 DT F C7 1 -ATOM 1221 C C6 . DT D 2 15 ? 8.067 67.234 -21.381 1.00 40.75 ? ? ? ? ? ? -2 DT F C6 1 -ATOM 1222 P P . DC D 2 16 ? 9.409 69.808 -15.583 1.00 39.34 ? ? ? ? ? ? -3 DC F P 1 -ATOM 1223 O OP1 . DC D 2 16 ? 10.513 70.651 -15.056 1.00 35.77 ? ? ? ? ? ? -3 DC F OP1 1 -ATOM 1224 O OP2 . DC D 2 16 ? 8.834 68.721 -14.741 1.00 37.47 ? ? ? ? ? ? -3 DC F OP2 1 -ATOM 1225 O "O5'" . DC D 2 16 ? 8.205 70.704 -16.113 1.00 41.02 ? ? ? ? ? ? -3 DC F "O5'" 1 -ATOM 1226 C "C5'" . DC D 2 16 ? 8.456 71.848 -16.926 1.00 42.31 ? ? ? ? ? ? -3 DC F "C5'" 1 -ATOM 1227 C "C4'" . DC D 2 16 ? 7.165 72.565 -17.188 1.00 40.83 ? ? ? ? ? ? -3 DC F "C4'" 1 -ATOM 1228 O "O4'" . DC D 2 16 ? 6.615 71.941 -18.376 1.00 45.26 ? ? ? ? ? ? -3 DC F "O4'" 1 -ATOM 1229 C "C3'" . DC D 2 16 ? 6.163 72.309 -16.059 1.00 44.39 ? ? ? ? ? ? -3 DC F "C3'" 1 -ATOM 1230 O "O3'" . DC D 2 16 ? 5.201 73.377 -15.861 1.00 50.43 ? ? ? ? ? ? -3 DC F "O3'" 1 -ATOM 1231 C "C2'" . DC D 2 16 ? 5.394 71.111 -16.600 1.00 48.55 ? ? ? ? ? ? -3 DC F "C2'" 1 -ATOM 1232 C "C1'" . DC D 2 16 ? 5.306 71.474 -18.084 1.00 44.37 ? ? ? ? ? ? -3 DC F "C1'" 1 -ATOM 1233 N N1 . DC D 2 16 ? 4.941 70.361 -19.023 1.00 45.60 ? ? ? ? ? ? -3 DC F N1 1 -ATOM 1234 C C2 . DC D 2 16 ? 4.582 70.630 -20.387 1.00 40.09 ? ? ? ? ? ? -3 DC F C2 1 -ATOM 1235 O O2 . DC D 2 16 ? 4.556 71.800 -20.817 1.00 41.42 ? ? ? ? ? ? -3 DC F O2 1 -ATOM 1236 N N3 . DC D 2 16 ? 4.266 69.590 -21.190 1.00 40.43 ? ? ? ? ? ? -3 DC F N3 1 -ATOM 1237 C C4 . DC D 2 16 ? 4.284 68.349 -20.717 1.00 36.71 ? ? ? ? ? ? -3 DC F C4 1 -ATOM 1238 N N4 . DC D 2 16 ? 3.971 67.366 -21.539 1.00 43.96 ? ? ? ? ? ? -3 DC F N4 1 -ATOM 1239 C C5 . DC D 2 16 ? 4.626 68.055 -19.382 1.00 42.37 ? ? ? ? ? ? -3 DC F C5 1 -ATOM 1240 C C6 . DC D 2 16 ? 4.945 69.071 -18.575 1.00 45.70 ? ? ? ? ? ? -3 DC F C6 1 -ATOM 1241 P P . DG D 2 17 ? 5.671 74.894 -15.672 1.00 43.19 ? ? ? ? ? ? -4 DG F P 1 -ATOM 1242 O OP1 . DG D 2 17 ? 6.963 75.115 -16.350 1.00 40.81 ? ? ? ? ? ? -4 DG F OP1 1 -ATOM 1243 O OP2 . DG D 2 17 ? 5.511 75.198 -14.236 1.00 39.21 ? ? ? ? ? ? -4 DG F OP2 1 -ATOM 1244 O "O5'" . DG D 2 17 ? 4.607 75.755 -16.475 1.00 38.47 ? ? ? ? ? ? -4 DG F "O5'" 1 -ATOM 1245 C "C5'" . DG D 2 17 ? 5.040 76.541 -17.577 1.00 43.61 ? ? ? ? ? ? -4 DG F "C5'" 1 -ATOM 1246 C "C4'" . DG D 2 17 ? 3.874 76.885 -18.474 1.00 38.71 ? ? ? ? ? ? -4 DG F "C4'" 1 -ATOM 1247 O "O4'" . DG D 2 17 ? 3.402 75.699 -19.149 1.00 44.69 ? ? ? ? ? ? -4 DG F "O4'" 1 -ATOM 1248 C "C3'" . DG D 2 17 ? 2.662 77.369 -17.700 1.00 37.32 ? ? ? ? ? ? -4 DG F "C3'" 1 -ATOM 1249 O "O3'" . DG D 2 17 ? 1.877 77.912 -18.773 1.00 24.26 ? ? ? ? ? ? -4 DG F "O3'" 1 -ATOM 1250 C "C2'" . DG D 2 17 ? 2.082 76.041 -17.251 1.00 37.46 ? ? ? ? ? ? -4 DG F "C2'" 1 -ATOM 1251 C "C1'" . DG D 2 17 ? 2.116 75.375 -18.604 1.00 41.04 ? ? ? ? ? ? -4 DG F "C1'" 1 -ATOM 1252 N N9 . DG D 2 17 ? 1.925 73.926 -18.685 1.00 40.79 ? ? ? ? ? ? -4 DG F N9 1 -ATOM 1253 C C8 . DG D 2 17 ? 2.100 72.965 -17.731 1.00 36.59 ? ? ? ? ? ? -4 DG F C8 1 -ATOM 1254 N N7 . DG D 2 17 ? 1.858 71.766 -18.176 1.00 36.33 ? ? ? ? ? ? -4 DG F N7 1 -ATOM 1255 C C5 . DG D 2 17 ? 1.494 71.953 -19.497 1.00 41.94 ? ? ? ? ? ? -4 DG F C5 1 -ATOM 1256 C C6 . DG D 2 17 ? 1.145 71.023 -20.505 1.00 45.23 ? ? ? ? ? ? -4 DG F C6 1 -ATOM 1257 O O6 . DG D 2 17 ? 1.038 69.800 -20.420 1.00 51.56 ? ? ? ? ? ? -4 DG F O6 1 -ATOM 1258 N N1 . DG D 2 17 ? 0.898 71.652 -21.726 1.00 44.14 ? ? ? ? ? ? -4 DG F N1 1 -ATOM 1259 C C2 . DG D 2 17 ? 0.961 73.005 -21.946 1.00 44.21 ? ? ? ? ? ? -4 DG F C2 1 -ATOM 1260 N N2 . DG D 2 17 ? 0.703 73.449 -23.193 1.00 43.56 ? ? ? ? ? ? -4 DG F N2 1 -ATOM 1261 N N3 . DG D 2 17 ? 1.263 73.871 -21.012 1.00 48.86 ? ? ? ? ? ? -4 DG F N3 1 -ATOM 1262 C C4 . DG D 2 17 ? 1.523 73.279 -19.822 1.00 43.52 ? ? ? ? ? ? -4 DG F C4 1 -ATOM 1263 N N . PRO E 3 9 ? 2.133 51.592 15.835 1.00 51.36 ? ? ? ? ? ? 9 PRO A N 1 -ATOM 1264 C CA . PRO E 3 9 ? 3.600 51.747 16.013 1.00 51.53 ? ? ? ? ? ? 9 PRO A CA 1 -ATOM 1265 C C . PRO E 3 9 ? 3.942 53.171 16.474 1.00 47.65 ? ? ? ? ? ? 9 PRO A C 1 -ATOM 1266 O O . PRO E 3 9 ? 3.141 54.090 16.286 1.00 45.67 ? ? ? ? ? ? 9 PRO A O 1 -ATOM 1267 C CB . PRO E 3 9 ? 4.208 51.395 14.660 1.00 53.62 ? ? ? ? ? ? 9 PRO A CB 1 -ATOM 1268 C CG . PRO E 3 9 ? 3.317 50.225 14.266 1.00 46.46 ? ? ? ? ? ? 9 PRO A CG 1 -ATOM 1269 C CD . PRO E 3 9 ? 1.908 50.764 14.615 1.00 51.33 ? ? ? ? ? ? 9 PRO A CD 1 -ATOM 1270 N N . THR E 3 10 ? 5.127 53.369 17.041 1.00 46.94 ? ? ? ? ? ? 10 THR A N 1 -ATOM 1271 C CA . THR E 3 10 ? 5.474 54.683 17.538 1.00 45.64 ? ? ? ? ? ? 10 THR A CA 1 -ATOM 1272 C C . THR E 3 10 ? 6.099 55.589 16.500 1.00 47.57 ? ? ? ? ? ? 10 THR A C 1 -ATOM 1273 O O . THR E 3 10 ? 6.521 56.700 16.842 1.00 50.08 ? ? ? ? ? ? 10 THR A O 1 -ATOM 1274 C CB . THR E 3 10 ? 6.426 54.574 18.733 1.00 44.04 ? ? ? ? ? ? 10 THR A CB 1 -ATOM 1275 O OG1 . THR E 3 10 ? 7.592 53.820 18.382 1.00 49.75 ? ? ? ? ? ? 10 THR A OG1 1 -ATOM 1276 C CG2 . THR E 3 10 ? 5.694 53.904 19.886 1.00 50.67 ? ? ? ? ? ? 10 THR A CG2 1 -ATOM 1277 N N . LEU E 3 11 ? 6.175 55.148 15.243 1.00 46.46 ? ? ? ? ? ? 11 LEU A N 1 -ATOM 1278 C CA . LEU E 3 11 ? 6.693 56.060 14.236 1.00 45.92 ? ? ? ? ? ? 11 LEU A CA 1 -ATOM 1279 C C . LEU E 3 11 ? 5.674 57.172 14.210 1.00 48.19 ? ? ? ? ? ? 11 LEU A C 1 -ATOM 1280 O O . LEU E 3 11 ? 6.018 58.334 14.108 1.00 53.63 ? ? ? ? ? ? 11 LEU A O 1 -ATOM 1281 C CB . LEU E 3 11 ? 6.748 55.448 12.848 1.00 40.81 ? ? ? ? ? ? 11 LEU A CB 1 -ATOM 1282 C CG . LEU E 3 11 ? 7.149 53.988 12.770 1.00 49.49 ? ? ? ? ? ? 11 LEU A CG 1 -ATOM 1283 C CD1 . LEU E 3 11 ? 5.858 53.214 12.714 1.00 48.62 ? ? ? ? ? ? 11 LEU A CD1 1 -ATOM 1284 C CD2 . LEU E 3 11 ? 7.965 53.656 11.529 1.00 41.29 ? ? ? ? ? ? 11 LEU A CD2 1 -ATOM 1285 N N . GLU E 3 12 ? 4.400 56.798 14.329 1.00 50.85 ? ? ? ? ? ? 12 GLU A N 1 -ATOM 1286 C CA . GLU E 3 12 ? 3.323 57.779 14.333 1.00 49.39 ? ? ? ? ? ? 12 GLU A CA 1 -ATOM 1287 C C . GLU E 3 12 ? 3.464 58.617 15.594 1.00 48.42 ? ? ? ? ? ? 12 GLU A C 1 -ATOM 1288 O O . GLU E 3 12 ? 3.225 59.827 15.559 1.00 49.37 ? ? ? ? ? ? 12 GLU A O 1 -ATOM 1289 C CB . GLU E 3 12 ? 1.938 57.119 14.341 1.00 45.68 ? ? ? ? ? ? 12 GLU A CB 1 -ATOM 1290 C CG . GLU E 3 12 ? 1.673 56.066 13.283 1.00 50.07 ? ? ? ? ? ? 12 GLU A CG 1 -ATOM 1291 C CD . GLU E 3 12 ? 2.090 54.670 13.730 1.00 53.41 ? ? ? ? ? ? 12 GLU A CD 1 -ATOM 1292 O OE1 . GLU E 3 12 ? 1.184 53.844 14.003 1.00 55.00 ? ? ? ? ? ? 12 GLU A OE1 1 -ATOM 1293 O OE2 . GLU E 3 12 ? 3.310 54.397 13.809 1.00 44.63 ? ? ? ? ? ? 12 GLU A OE2 1 -ATOM 1294 N N . TRP E 3 13 ? 3.839 57.968 16.704 1.00 45.38 ? ? ? ? ? ? 13 TRP A N 1 -ATOM 1295 C CA . TRP E 3 13 ? 4.074 58.684 17.957 1.00 43.86 ? ? ? ? ? ? 13 TRP A CA 1 -ATOM 1296 C C . TRP E 3 13 ? 5.007 59.848 17.597 1.00 45.13 ? ? ? ? ? ? 13 TRP A C 1 -ATOM 1297 O O . TRP E 3 13 ? 4.818 61.022 17.981 1.00 39.27 ? ? ? ? ? ? 13 TRP A O 1 -ATOM 1298 C CB . TRP E 3 13 ? 4.753 57.763 18.998 1.00 39.96 ? ? ? ? ? ? 13 TRP A CB 1 -ATOM 1299 C CG . TRP E 3 13 ? 5.078 58.541 20.211 1.00 36.61 ? ? ? ? ? ? 13 TRP A CG 1 -ATOM 1300 C CD1 . TRP E 3 13 ? 4.186 59.088 21.082 1.00 29.86 ? ? ? ? ? ? 13 TRP A CD1 1 -ATOM 1301 C CD2 . TRP E 3 13 ? 6.380 58.964 20.640 1.00 32.23 ? ? ? ? ? ? 13 TRP A CD2 1 -ATOM 1302 N NE1 . TRP E 3 13 ? 4.851 59.837 22.007 1.00 36.47 ? ? ? ? ? ? 13 TRP A NE1 1 -ATOM 1303 C CE2 . TRP E 3 13 ? 6.199 59.778 21.758 1.00 33.72 ? ? ? ? ? ? 13 TRP A CE2 1 -ATOM 1304 C CE3 . TRP E 3 13 ? 7.681 58.740 20.173 1.00 36.93 ? ? ? ? ? ? 13 TRP A CE3 1 -ATOM 1305 C CZ2 . TRP E 3 13 ? 7.274 60.372 22.430 1.00 38.16 ? ? ? ? ? ? 13 TRP A CZ2 1 -ATOM 1306 C CZ3 . TRP E 3 13 ? 8.750 59.329 20.837 1.00 34.21 ? ? ? ? ? ? 13 TRP A CZ3 1 -ATOM 1307 C CH2 . TRP E 3 13 ? 8.538 60.134 21.948 1.00 37.51 ? ? ? ? ? ? 13 TRP A CH2 1 -ATOM 1308 N N . PHE E 3 14 ? 6.008 59.469 16.811 1.00 45.34 ? ? ? ? ? ? 14 PHE A N 1 -ATOM 1309 C CA . PHE E 3 14 ? 7.007 60.371 16.256 1.00 46.89 ? ? ? ? ? ? 14 PHE A CA 1 -ATOM 1310 C C . PHE E 3 14 ? 6.349 61.489 15.381 1.00 43.87 ? ? ? ? ? ? 14 PHE A C 1 -ATOM 1311 O O . PHE E 3 14 ? 6.315 62.645 15.809 1.00 42.96 ? ? ? ? ? ? 14 PHE A O 1 -ATOM 1312 C CB . PHE E 3 14 ? 8.006 59.501 15.447 1.00 43.26 ? ? ? ? ? ? 14 PHE A CB 1 -ATOM 1313 C CG . PHE E 3 14 ? 8.946 60.270 14.577 1.00 37.28 ? ? ? ? ? ? 14 PHE A CG 1 -ATOM 1314 C CD1 . PHE E 3 14 ? 10.274 60.392 14.922 1.00 33.31 ? ? ? ? ? ? 14 PHE A CD1 1 -ATOM 1315 C CD2 . PHE E 3 14 ? 8.497 60.868 13.413 1.00 34.21 ? ? ? ? ? ? 14 PHE A CD2 1 -ATOM 1316 C CE1 . PHE E 3 14 ? 11.139 61.105 14.117 1.00 35.28 ? ? ? ? ? ? 14 PHE A CE1 1 -ATOM 1317 C CE2 . PHE E 3 14 ? 9.363 61.582 12.610 1.00 36.36 ? ? ? ? ? ? 14 PHE A CE2 1 -ATOM 1318 C CZ . PHE E 3 14 ? 10.688 61.701 12.967 1.00 28.58 ? ? ? ? ? ? 14 PHE A CZ 1 -ATOM 1319 N N . LEU E 3 15 ? 5.818 61.161 14.197 1.00 36.46 ? ? ? ? ? ? 15 LEU A N 1 -ATOM 1320 C CA . LEU E 3 15 ? 5.219 62.180 13.324 1.00 40.53 ? ? ? ? ? ? 15 LEU A CA 1 -ATOM 1321 C C . LEU E 3 15 ? 4.239 63.082 14.101 1.00 39.50 ? ? ? ? ? ? 15 LEU A C 1 -ATOM 1322 O O . LEU E 3 15 ? 4.209 64.303 13.927 1.00 35.01 ? ? ? ? ? ? 15 LEU A O 1 -ATOM 1323 C CB . LEU E 3 15 ? 4.453 61.535 12.142 1.00 38.33 ? ? ? ? ? ? 15 LEU A CB 1 -ATOM 1324 C CG . LEU E 3 15 ? 5.128 61.048 10.828 1.00 39.33 ? ? ? ? ? ? 15 LEU A CG 1 -ATOM 1325 C CD1 . LEU E 3 15 ? 6.073 59.848 11.004 1.00 34.09 ? ? ? ? ? ? 15 LEU A CD1 1 -ATOM 1326 C CD2 . LEU E 3 15 ? 3.956 60.627 9.910 1.00 30.00 ? ? ? ? ? ? 15 LEU A CD2 1 -ATOM 1327 N N . SER E 3 16 ? 3.448 62.505 14.987 1.00 39.44 ? ? ? ? ? ? 16 SER A N 1 -ATOM 1328 C CA . SER E 3 16 ? 2.518 63.328 15.727 1.00 41.31 ? ? ? ? ? ? 16 SER A CA 1 -ATOM 1329 C C . SER E 3 16 ? 3.234 64.413 16.568 1.00 39.87 ? ? ? ? ? ? 16 SER A C 1 -ATOM 1330 O O . SER E 3 16 ? 2.585 65.272 17.150 1.00 45.16 ? ? ? ? ? ? 16 SER A O 1 -ATOM 1331 C CB . SER E 3 16 ? 1.662 62.395 16.601 1.00 46.58 ? ? ? ? ? ? 16 SER A CB 1 -ATOM 1332 O OG . SER E 3 16 ? 2.422 61.481 17.397 1.00 49.64 ? ? ? ? ? ? 16 SER A OG 1 -ATOM 1333 N N . HIS E 3 17 ? 4.567 64.357 16.612 1.00 39.83 ? ? ? ? ? ? 17 HIS A N 1 -ATOM 1334 C CA . HIS E 3 17 ? 5.494 65.281 17.319 1.00 40.97 ? ? ? ? ? ? 17 HIS A CA 1 -ATOM 1335 C C . HIS E 3 17 ? 6.246 66.135 16.299 1.00 41.79 ? ? ? ? ? ? 17 HIS A C 1 -ATOM 1336 O O . HIS E 3 17 ? 6.967 67.087 16.627 1.00 35.53 ? ? ? ? ? ? 17 HIS A O 1 -ATOM 1337 C CB . HIS E 3 17 ? 6.595 64.549 18.101 1.00 50.69 ? ? ? ? ? ? 17 HIS A CB 1 -ATOM 1338 C CG . HIS E 3 17 ? 6.293 64.266 19.539 1.00 48.46 ? ? ? ? ? ? 17 HIS A CG 1 -ATOM 1339 N ND1 . HIS E 3 17 ? 6.935 64.927 20.565 1.00 44.43 ? ? ? ? ? ? 17 HIS A ND1 1 -ATOM 1340 C CD2 . HIS E 3 17 ? 5.466 63.368 20.124 1.00 43.77 ? ? ? ? ? ? 17 HIS A CD2 1 -ATOM 1341 C CE1 . HIS E 3 17 ? 6.520 64.445 21.724 1.00 51.84 ? ? ? ? ? ? 17 HIS A CE1 1 -ATOM 1342 N NE2 . HIS E 3 17 ? 5.630 63.498 21.484 1.00 48.72 ? ? ? ? ? ? 17 HIS A NE2 1 -ATOM 1343 N N . CYS E 3 18 ? 6.161 65.677 15.068 1.00 40.25 ? ? ? ? ? ? 18 CYS A N 1 -ATOM 1344 C CA . CYS E 3 18 ? 6.811 66.297 13.953 1.00 42.07 ? ? ? ? ? ? 18 CYS A CA 1 -ATOM 1345 C C . CYS E 3 18 ? 5.923 67.302 13.279 1.00 45.28 ? ? ? ? ? ? 18 CYS A C 1 -ATOM 1346 O O . CYS E 3 18 ? 4.756 67.489 13.635 1.00 47.68 ? ? ? ? ? ? 18 CYS A O 1 -ATOM 1347 C CB . CYS E 3 18 ? 7.204 65.250 12.944 1.00 35.09 ? ? ? ? ? ? 18 CYS A CB 1 -ATOM 1348 S SG . CYS E 3 18 ? 8.937 65.027 12.939 1.00 43.22 ? ? ? ? ? ? 18 CYS A SG 1 -ATOM 1349 N N . HIS E 3 19 ? 6.508 67.928 12.268 1.00 48.59 ? ? ? ? ? ? 19 HIS A N 1 -ATOM 1350 C CA . HIS E 3 19 ? 5.824 68.896 11.447 1.00 48.73 ? ? ? ? ? ? 19 HIS A CA 1 -ATOM 1351 C C . HIS E 3 19 ? 6.272 68.764 9.993 1.00 46.16 ? ? ? ? ? ? 19 HIS A C 1 -ATOM 1352 O O . HIS E 3 19 ? 7.434 69.021 9.612 1.00 34.73 ? ? ? ? ? ? 19 HIS A O 1 -ATOM 1353 C CB . HIS E 3 19 ? 6.095 70.312 11.978 1.00 50.30 ? ? ? ? ? ? 19 HIS A CB 1 -ATOM 1354 C CG . HIS E 3 19 ? 7.468 70.517 12.543 1.00 53.51 ? ? ? ? ? ? 19 HIS A CG 1 -ATOM 1355 N ND1 . HIS E 3 19 ? 8.552 70.886 11.773 1.00 55.00 ? ? ? ? ? ? 19 HIS A ND1 1 -ATOM 1356 C CD2 . HIS E 3 19 ? 7.919 70.438 13.819 1.00 50.77 ? ? ? ? ? ? 19 HIS A CD2 1 -ATOM 1357 C CE1 . HIS E 3 19 ? 9.611 71.032 12.556 1.00 52.85 ? ? ? ? ? ? 19 HIS A CE1 1 -ATOM 1358 N NE2 . HIS E 3 19 ? 9.254 70.765 13.798 1.00 48.71 ? ? ? ? ? ? 19 HIS A NE2 1 -ATOM 1359 N N . ILE E 3 20 ? 5.290 68.311 9.220 1.00 37.32 ? ? ? ? ? ? 20 ILE A N 1 -ATOM 1360 C CA . ILE E 3 20 ? 5.394 68.061 7.795 1.00 39.29 ? ? ? ? ? ? 20 ILE A CA 1 -ATOM 1361 C C . ILE E 3 20 ? 5.763 69.335 7.001 1.00 41.39 ? ? ? ? ? ? 20 ILE A C 1 -ATOM 1362 O O . ILE E 3 20 ? 5.781 70.441 7.549 1.00 37.73 ? ? ? ? ? ? 20 ILE A O 1 -ATOM 1363 C CB . ILE E 3 20 ? 4.026 67.474 7.300 1.00 34.82 ? ? ? ? ? ? 20 ILE A CB 1 -ATOM 1364 C CG1 . ILE E 3 20 ? 3.897 66.043 7.802 1.00 31.81 ? ? ? ? ? ? 20 ILE A CG1 1 -ATOM 1365 C CG2 . ILE E 3 20 ? 3.923 67.486 5.809 1.00 30.47 ? ? ? ? ? ? 20 ILE A CG2 1 -ATOM 1366 C CD1 . ILE E 3 20 ? 3.842 65.955 9.295 1.00 34.02 ? ? ? ? ? ? 20 ILE A CD1 1 -ATOM 1367 N N . HIS E 3 21 ? 6.095 69.137 5.726 1.00 43.94 ? ? ? ? ? ? 21 HIS A N 1 -ATOM 1368 C CA . HIS E 3 21 ? 6.392 70.178 4.740 1.00 46.40 ? ? ? ? ? ? 21 HIS A CA 1 -ATOM 1369 C C . HIS E 3 21 ? 6.383 69.559 3.345 1.00 43.38 ? ? ? ? ? ? 21 HIS A C 1 -ATOM 1370 O O . HIS E 3 21 ? 6.986 68.518 3.103 1.00 48.89 ? ? ? ? ? ? 21 HIS A O 1 -ATOM 1371 C CB . HIS E 3 21 ? 7.764 70.824 4.993 1.00 41.60 ? ? ? ? ? ? 21 HIS A CB 1 -ATOM 1372 C CG . HIS E 3 21 ? 7.742 71.921 6.017 1.00 47.02 ? ? ? ? ? ? 21 HIS A CG 1 -ATOM 1373 N ND1 . HIS E 3 21 ? 6.572 72.492 6.475 1.00 55.00 ? ? ? ? ? ? 21 HIS A ND1 1 -ATOM 1374 C CD2 . HIS E 3 21 ? 8.746 72.571 6.650 1.00 51.14 ? ? ? ? ? ? 21 HIS A CD2 1 -ATOM 1375 C CE1 . HIS E 3 21 ? 6.854 73.448 7.342 1.00 53.19 ? ? ? ? ? ? 21 HIS A CE1 1 -ATOM 1376 N NE2 . HIS E 3 21 ? 8.167 73.515 7.467 1.00 55.00 ? ? ? ? ? ? 21 HIS A NE2 1 -ATOM 1377 N N . LYS E 3 22 ? 5.636 70.198 2.454 1.00 42.96 ? ? ? ? ? ? 22 LYS A N 1 -ATOM 1378 C CA . LYS E 3 22 ? 5.471 69.786 1.065 1.00 41.60 ? ? ? ? ? ? 22 LYS A CA 1 -ATOM 1379 C C . LYS E 3 22 ? 6.516 70.492 0.188 1.00 40.47 ? ? ? ? ? ? 22 LYS A C 1 -ATOM 1380 O O . LYS E 3 22 ? 6.629 71.729 0.228 1.00 39.52 ? ? ? ? ? ? 22 LYS A O 1 -ATOM 1381 C CB . LYS E 3 22 ? 4.061 70.155 0.609 1.00 45.46 ? ? ? ? ? ? 22 LYS A CB 1 -ATOM 1382 C CG . LYS E 3 22 ? 3.714 69.847 -0.848 1.00 46.46 ? ? ? ? ? ? 22 LYS A CG 1 -ATOM 1383 C CD . LYS E 3 22 ? 2.393 70.536 -1.238 1.00 45.44 ? ? ? ? ? ? 22 LYS A CD 1 -ATOM 1384 C CE . LYS E 3 22 ? 2.526 72.064 -1.438 1.00 44.76 ? ? ? ? ? ? 22 LYS A CE 1 -ATOM 1385 N NZ . LYS E 3 22 ? 1.169 72.693 -1.504 1.00 48.13 ? ? ? ? ? ? 22 LYS A NZ 1 -ATOM 1386 N N . TYR E 3 23 ? 7.281 69.698 -0.566 1.00 32.15 ? ? ? ? ? ? 23 TYR A N 1 -ATOM 1387 C CA . TYR E 3 23 ? 8.305 70.188 -1.475 1.00 26.93 ? ? ? ? ? ? 23 TYR A CA 1 -ATOM 1388 C C . TYR E 3 23 ? 7.986 69.795 -2.898 1.00 29.40 ? ? ? ? ? ? 23 TYR A C 1 -ATOM 1389 O O . TYR E 3 23 ? 7.261 68.849 -3.110 1.00 40.19 ? ? ? ? ? ? 23 TYR A O 1 -ATOM 1390 C CB . TYR E 3 23 ? 9.636 69.600 -1.147 1.00 35.11 ? ? ? ? ? ? 23 TYR A CB 1 -ATOM 1391 C CG . TYR E 3 23 ? 10.246 70.141 0.081 1.00 46.49 ? ? ? ? ? ? 23 TYR A CG 1 -ATOM 1392 C CD1 . TYR E 3 23 ? 10.549 69.297 1.133 1.00 48.26 ? ? ? ? ? ? 23 TYR A CD1 1 -ATOM 1393 C CD2 . TYR E 3 23 ? 10.575 71.487 0.178 1.00 41.35 ? ? ? ? ? ? 23 TYR A CD2 1 -ATOM 1394 C CE1 . TYR E 3 23 ? 11.173 69.768 2.253 1.00 47.73 ? ? ? ? ? ? 23 TYR A CE1 1 -ATOM 1395 C CE2 . TYR E 3 23 ? 11.198 71.970 1.293 1.00 45.86 ? ? ? ? ? ? 23 TYR A CE2 1 -ATOM 1396 C CZ . TYR E 3 23 ? 11.499 71.100 2.328 1.00 45.09 ? ? ? ? ? ? 23 TYR A CZ 1 -ATOM 1397 O OH . TYR E 3 23 ? 12.158 71.538 3.447 1.00 54.73 ? ? ? ? ? ? 23 TYR A OH 1 -ATOM 1398 N N . PRO E 3 24 ? 8.519 70.505 -3.892 1.00 28.77 ? ? ? ? ? ? 24 PRO A N 1 -ATOM 1399 C CA . PRO E 3 24 ? 8.359 70.105 -5.284 1.00 32.12 ? ? ? ? ? ? 24 PRO A CA 1 -ATOM 1400 C C . PRO E 3 24 ? 9.661 69.524 -5.850 1.00 37.05 ? ? ? ? ? ? 24 PRO A C 1 -ATOM 1401 O O . PRO E 3 24 ? 10.722 69.687 -5.251 1.00 35.29 ? ? ? ? ? ? 24 PRO A O 1 -ATOM 1402 C CB . PRO E 3 24 ? 7.907 71.396 -5.955 1.00 29.14 ? ? ? ? ? ? 24 PRO A CB 1 -ATOM 1403 C CG . PRO E 3 24 ? 7.927 72.443 -4.811 1.00 25.38 ? ? ? ? ? ? 24 PRO A CG 1 -ATOM 1404 C CD . PRO E 3 24 ? 8.971 71.906 -3.896 1.00 34.82 ? ? ? ? ? ? 24 PRO A CD 1 -ATOM 1405 N N . SER E 3 25 ? 9.580 68.888 -7.023 1.00 35.44 ? ? ? ? ? ? 25 SER A N 1 -ATOM 1406 C CA . SER E 3 25 ? 10.746 68.289 -7.690 1.00 36.35 ? ? ? ? ? ? 25 SER A CA 1 -ATOM 1407 C C . SER E 3 25 ? 11.931 69.226 -7.728 1.00 34.98 ? ? ? ? ? ? 25 SER A C 1 -ATOM 1408 O O . SER E 3 25 ? 11.780 70.419 -7.594 1.00 40.30 ? ? ? ? ? ? 25 SER A O 1 -ATOM 1409 C CB . SER E 3 25 ? 10.446 67.919 -9.149 1.00 36.05 ? ? ? ? ? ? 25 SER A CB 1 -ATOM 1410 O OG . SER E 3 25 ? 9.524 66.849 -9.298 1.00 38.54 ? ? ? ? ? ? 25 SER A OG 1 -ATOM 1411 N N . LYS E 3 26 ? 13.110 68.652 -7.898 1.00 38.91 ? ? ? ? ? ? 26 LYS A N 1 -ATOM 1412 C CA . LYS E 3 26 ? 14.361 69.379 -8.066 1.00 43.40 ? ? ? ? ? ? 26 LYS A CA 1 -ATOM 1413 C C . LYS E 3 26 ? 14.684 70.381 -6.960 1.00 42.65 ? ? ? ? ? ? 26 LYS A C 1 -ATOM 1414 O O . LYS E 3 26 ? 15.727 71.030 -7.032 1.00 44.39 ? ? ? ? ? ? 26 LYS A O 1 -ATOM 1415 C CB . LYS E 3 26 ? 14.326 70.102 -9.419 1.00 48.32 ? ? ? ? ? ? 26 LYS A CB 1 -ATOM 1416 C CG . LYS E 3 26 ? 13.773 69.185 -10.538 1.00 55.00 ? ? ? ? ? ? 26 LYS A CG 1 -ATOM 1417 C CD . LYS E 3 26 ? 13.659 69.842 -11.912 1.00 55.00 ? ? ? ? ? ? 26 LYS A CD 1 -ATOM 1418 C CE . LYS E 3 26 ? 12.983 68.907 -12.927 1.00 52.54 ? ? ? ? ? ? 26 LYS A CE 1 -ATOM 1419 N NZ . LYS E 3 26 ? 11.515 68.689 -12.681 1.00 50.27 ? ? ? ? ? ? 26 LYS A NZ 1 -ATOM 1420 N N . SER E 3 27 ? 13.842 70.518 -5.938 1.00 44.08 ? ? ? ? ? ? 27 SER A N 1 -ATOM 1421 C CA . SER E 3 27 ? 14.147 71.491 -4.890 1.00 45.04 ? ? ? ? ? ? 27 SER A CA 1 -ATOM 1422 C C . SER E 3 27 ? 15.132 70.934 -3.855 1.00 42.88 ? ? ? ? ? ? 27 SER A C 1 -ATOM 1423 O O . SER E 3 27 ? 14.901 69.883 -3.271 1.00 48.86 ? ? ? ? ? ? 27 SER A O 1 -ATOM 1424 C CB . SER E 3 27 ? 12.841 71.941 -4.193 1.00 48.09 ? ? ? ? ? ? 27 SER A CB 1 -ATOM 1425 O OG . SER E 3 27 ? 12.187 70.914 -3.474 1.00 50.03 ? ? ? ? ? ? 27 SER A OG 1 -ATOM 1426 N N . THR E 3 28 ? 16.234 71.652 -3.646 1.00 38.52 ? ? ? ? ? ? 28 THR A N 1 -ATOM 1427 C CA . THR E 3 28 ? 17.302 71.277 -2.717 1.00 33.94 ? ? ? ? ? ? 28 THR A CA 1 -ATOM 1428 C C . THR E 3 28 ? 16.951 71.447 -1.231 1.00 33.13 ? ? ? ? ? ? 28 THR A C 1 -ATOM 1429 O O . THR E 3 28 ? 17.212 72.513 -0.654 1.00 25.29 ? ? ? ? ? ? 28 THR A O 1 -ATOM 1430 C CB . THR E 3 28 ? 18.520 72.094 -3.033 1.00 24.84 ? ? ? ? ? ? 28 THR A CB 1 -ATOM 1431 O OG1 . THR E 3 28 ? 18.094 73.307 -3.655 1.00 25.04 ? ? ? ? ? ? 28 THR A OG1 1 -ATOM 1432 C CG2 . THR E 3 28 ? 19.459 71.330 -3.988 1.00 36.26 ? ? ? ? ? ? 28 THR A CG2 1 -ATOM 1433 N N . LEU E 3 29 ? 16.406 70.376 -0.637 1.00 19.29 ? ? ? ? ? ? 29 LEU A N 1 -ATOM 1434 C CA . LEU E 3 29 ? 15.966 70.320 0.747 1.00 13.31 ? ? ? ? ? ? 29 LEU A CA 1 -ATOM 1435 C C . LEU E 3 29 ? 17.042 70.645 1.806 1.00 14.48 ? ? ? ? ? ? 29 LEU A C 1 -ATOM 1436 O O . LEU E 3 29 ? 16.647 71.213 2.819 1.00 17.20 ? ? ? ? ? ? 29 LEU A O 1 -ATOM 1437 C CB . LEU E 3 29 ? 15.390 68.945 1.007 1.00 10.90 ? ? ? ? ? ? 29 LEU A CB 1 -ATOM 1438 C CG . LEU E 3 29 ? 14.463 68.503 -0.145 1.00 15.99 ? ? ? ? ? ? 29 LEU A CG 1 -ATOM 1439 C CD1 . LEU E 3 29 ? 13.659 67.337 0.302 1.00 16.93 ? ? ? ? ? ? 29 LEU A CD1 1 -ATOM 1440 C CD2 . LEU E 3 29 ? 13.484 69.552 -0.501 1.00 21.70 ? ? ? ? ? ? 29 LEU A CD2 1 -ATOM 1441 N N . ILE E 3 30 ? 18.350 70.363 1.580 1.00 6.40 ? ? ? ? ? ? 30 ILE A N 1 -ATOM 1442 C CA . ILE E 3 30 ? 19.481 70.651 2.529 1.00 6.00 ? ? ? ? ? ? 30 ILE A CA 1 -ATOM 1443 C C . ILE E 3 30 ? 20.685 71.177 1.727 1.00 7.34 ? ? ? ? ? ? 30 ILE A C 1 -ATOM 1444 O O . ILE E 3 30 ? 20.682 70.918 0.536 1.00 20.38 ? ? ? ? ? ? 30 ILE A O 1 -ATOM 1445 C CB . ILE E 3 30 ? 19.889 69.335 3.292 1.00 7.78 ? ? ? ? ? ? 30 ILE A CB 1 -ATOM 1446 C CG1 . ILE E 3 30 ? 18.765 68.949 4.218 1.00 6.00 ? ? ? ? ? ? 30 ILE A CG1 1 -ATOM 1447 C CG2 . ILE E 3 30 ? 21.148 69.512 4.092 1.00 6.00 ? ? ? ? ? ? 30 ILE A CG2 1 -ATOM 1448 C CD1 . ILE E 3 30 ? 18.970 67.594 4.806 1.00 18.06 ? ? ? ? ? ? 30 ILE A CD1 1 -ATOM 1449 N N . HIS E 3 31 ? 21.712 71.863 2.261 1.00 6.00 ? ? ? ? ? ? 31 HIS A N 1 -ATOM 1450 C CA . HIS E 3 31 ? 22.828 72.336 1.367 1.00 6.00 ? ? ? ? ? ? 31 HIS A CA 1 -ATOM 1451 C C . HIS E 3 31 ? 24.172 72.194 2.035 1.00 7.49 ? ? ? ? ? ? 31 HIS A C 1 -ATOM 1452 O O . HIS E 3 31 ? 24.260 72.538 3.182 1.00 26.83 ? ? ? ? ? ? 31 HIS A O 1 -ATOM 1453 C CB . HIS E 3 31 ? 22.624 73.788 1.009 1.00 23.36 ? ? ? ? ? ? 31 HIS A CB 1 -ATOM 1454 C CG . HIS E 3 31 ? 21.309 74.073 0.361 1.00 28.04 ? ? ? ? ? ? 31 HIS A CG 1 -ATOM 1455 N ND1 . HIS E 3 31 ? 20.107 73.878 1.006 1.00 29.13 ? ? ? ? ? ? 31 HIS A ND1 1 -ATOM 1456 C CD2 . HIS E 3 31 ? 21.007 74.543 -0.871 1.00 24.71 ? ? ? ? ? ? 31 HIS A CD2 1 -ATOM 1457 C CE1 . HIS E 3 31 ? 19.116 74.215 0.199 1.00 32.34 ? ? ? ? ? ? 31 HIS A CE1 1 -ATOM 1458 N NE2 . HIS E 3 31 ? 19.637 74.621 -0.947 1.00 33.23 ? ? ? ? ? ? 31 HIS A NE2 1 -ATOM 1459 N N . GLN E 3 32 ? 25.231 71.811 1.329 1.00 17.63 ? ? ? ? ? ? 32 GLN A N 1 -ATOM 1460 C CA . GLN E 3 32 ? 26.532 71.427 1.956 1.00 25.34 ? ? ? ? ? ? 32 GLN A CA 1 -ATOM 1461 C C . GLN E 3 32 ? 27.324 72.622 2.574 1.00 33.05 ? ? ? ? ? ? 32 GLN A C 1 -ATOM 1462 O O . GLN E 3 32 ? 28.359 73.073 2.017 1.00 36.48 ? ? ? ? ? ? 32 GLN A O 1 -ATOM 1463 C CB . GLN E 3 32 ? 27.485 70.752 0.948 1.00 22.58 ? ? ? ? ? ? 32 GLN A CB 1 -ATOM 1464 C CG . GLN E 3 32 ? 28.828 70.391 1.590 1.00 19.58 ? ? ? ? ? ? 32 GLN A CG 1 -ATOM 1465 C CD . GLN E 3 32 ? 29.864 69.858 0.642 1.00 33.40 ? ? ? ? ? ? 32 GLN A CD 1 -ATOM 1466 O OE1 . GLN E 3 32 ? 29.568 69.203 -0.371 1.00 30.23 ? ? ? ? ? ? 32 GLN A OE1 1 -ATOM 1467 N NE2 . GLN E 3 32 ? 31.118 70.132 0.973 1.00 34.65 ? ? ? ? ? ? 32 GLN A NE2 1 -ATOM 1468 N N . GLY E 3 33 ? 26.924 73.052 3.775 1.00 43.34 ? ? ? ? ? ? 33 GLY A N 1 -ATOM 1469 C CA . GLY E 3 33 ? 27.665 74.087 4.511 1.00 40.74 ? ? ? ? ? ? 33 GLY A CA 1 -ATOM 1470 C C . GLY E 3 33 ? 26.950 74.577 5.773 1.00 36.94 ? ? ? ? ? ? 33 GLY A C 1 -ATOM 1471 O O . GLY E 3 33 ? 27.582 74.917 6.789 1.00 38.11 ? ? ? ? ? ? 33 GLY A O 1 -ATOM 1472 N N . GLU E 3 34 ? 25.622 74.583 5.685 1.00 30.01 ? ? ? ? ? ? 34 GLU A N 1 -ATOM 1473 C CA . GLU E 3 34 ? 24.758 75.094 6.719 1.00 30.03 ? ? ? ? ? ? 34 GLU A CA 1 -ATOM 1474 C C . GLU E 3 34 ? 24.793 74.245 7.942 1.00 35.11 ? ? ? ? ? ? 34 GLU A C 1 -ATOM 1475 O O . GLU E 3 34 ? 25.306 73.137 7.881 1.00 39.63 ? ? ? ? ? ? 34 GLU A O 1 -ATOM 1476 C CB . GLU E 3 34 ? 23.369 75.199 6.143 1.00 28.77 ? ? ? ? ? ? 34 GLU A CB 1 -ATOM 1477 C CG . GLU E 3 34 ? 23.443 76.116 4.917 1.00 36.46 ? ? ? ? ? ? 34 GLU A CG 1 -ATOM 1478 C CD . GLU E 3 34 ? 22.106 76.575 4.396 1.00 42.77 ? ? ? ? ? ? 34 GLU A CD 1 -ATOM 1479 O OE1 . GLU E 3 34 ? 22.088 77.175 3.295 1.00 37.62 ? ? ? ? ? ? 34 GLU A OE1 1 -ATOM 1480 O OE2 . GLU E 3 34 ? 21.089 76.341 5.091 1.00 43.20 ? ? ? ? ? ? 34 GLU A OE2 1 -ATOM 1481 N N . LYS E 3 35 ? 24.295 74.786 9.056 1.00 26.70 ? ? ? ? ? ? 35 LYS A N 1 -ATOM 1482 C CA . LYS E 3 35 ? 24.335 74.085 10.336 1.00 26.96 ? ? ? ? ? ? 35 LYS A CA 1 -ATOM 1483 C C . LYS E 3 35 ? 23.241 73.049 10.512 1.00 32.69 ? ? ? ? ? ? 35 LYS A C 1 -ATOM 1484 O O . LYS E 3 35 ? 22.077 73.331 10.240 1.00 37.00 ? ? ? ? ? ? 35 LYS A O 1 -ATOM 1485 C CB . LYS E 3 35 ? 24.244 75.089 11.485 1.00 42.35 ? ? ? ? ? ? 35 LYS A CB 1 -ATOM 1486 C CG . LYS E 3 35 ? 25.571 75.562 12.101 1.00 42.72 ? ? ? ? ? ? 35 LYS A CG 1 -ATOM 1487 C CD . LYS E 3 35 ? 26.516 76.176 11.096 1.00 46.67 ? ? ? ? ? ? 35 LYS A CD 1 -ATOM 1488 C CE . LYS E 3 35 ? 27.373 75.155 10.344 1.00 52.49 ? ? ? ? ? ? 35 LYS A CE 1 -ATOM 1489 N NZ . LYS E 3 35 ? 28.418 74.537 11.250 1.00 55.00 ? ? ? ? ? ? 35 LYS A NZ 1 -ATOM 1490 N N . ALA E 3 36 ? 23.628 71.851 10.964 1.00 33.84 ? ? ? ? ? ? 36 ALA A N 1 -ATOM 1491 C CA . ALA E 3 36 ? 22.678 70.757 11.186 1.00 27.47 ? ? ? ? ? ? 36 ALA A CA 1 -ATOM 1492 C C . ALA E 3 36 ? 22.014 70.968 12.555 1.00 24.01 ? ? ? ? ? ? 36 ALA A C 1 -ATOM 1493 O O . ALA E 3 36 ? 22.718 71.151 13.551 1.00 6.55 ? ? ? ? ? ? 36 ALA A O 1 -ATOM 1494 C CB . ALA E 3 36 ? 23.432 69.445 11.131 1.00 6.00 ? ? ? ? ? ? 36 ALA A CB 1 -ATOM 1495 N N . GLU E 3 37 ? 20.676 70.898 12.601 1.00 24.57 ? ? ? ? ? ? 37 GLU A N 1 -ATOM 1496 C CA . GLU E 3 37 ? 19.877 71.172 13.806 1.00 27.42 ? ? ? ? ? ? 37 GLU A CA 1 -ATOM 1497 C C . GLU E 3 37 ? 18.461 70.570 13.745 1.00 31.32 ? ? ? ? ? ? 37 GLU A C 1 -ATOM 1498 O O . GLU E 3 37 ? 17.750 70.582 14.751 1.00 37.00 ? ? ? ? ? ? 37 GLU A O 1 -ATOM 1499 C CB . GLU E 3 37 ? 19.762 72.674 13.982 1.00 32.59 ? ? ? ? ? ? 37 GLU A CB 1 -ATOM 1500 C CG . GLU E 3 37 ? 18.775 73.254 12.954 1.00 36.79 ? ? ? ? ? ? 37 GLU A CG 1 -ATOM 1501 C CD . GLU E 3 37 ? 18.909 72.639 11.550 1.00 34.96 ? ? ? ? ? ? 37 GLU A CD 1 -ATOM 1502 O OE1 . GLU E 3 37 ? 20.009 72.580 10.957 1.00 34.45 ? ? ? ? ? ? 37 GLU A OE1 1 -ATOM 1503 O OE2 . GLU E 3 37 ? 17.891 72.185 11.022 1.00 34.02 ? ? ? ? ? ? 37 GLU A OE2 1 -ATOM 1504 N N . THR E 3 38 ? 18.061 70.099 12.561 1.00 31.87 ? ? ? ? ? ? 38 THR A N 1 -ATOM 1505 C CA . THR E 3 38 ? 16.763 69.450 12.254 1.00 27.46 ? ? ? ? ? ? 38 THR A CA 1 -ATOM 1506 C C . THR E 3 38 ? 17.103 68.080 11.662 1.00 21.46 ? ? ? ? ? ? 38 THR A C 1 -ATOM 1507 O O . THR E 3 38 ? 18.174 67.900 11.109 1.00 20.91 ? ? ? ? ? ? 38 THR A O 1 -ATOM 1508 C CB . THR E 3 38 ? 15.916 70.235 11.170 1.00 33.31 ? ? ? ? ? ? 38 THR A CB 1 -ATOM 1509 O OG1 . THR E 3 38 ? 15.691 71.560 11.632 1.00 36.18 ? ? ? ? ? ? 38 THR A OG1 1 -ATOM 1510 C CG2 . THR E 3 38 ? 14.556 69.610 10.933 1.00 39.15 ? ? ? ? ? ? 38 THR A CG2 1 -ATOM 1511 N N . LEU E 3 39 ? 16.175 67.149 11.736 1.00 14.76 ? ? ? ? ? ? 39 LEU A N 1 -ATOM 1512 C CA . LEU E 3 39 ? 16.364 65.794 11.292 1.00 18.37 ? ? ? ? ? ? 39 LEU A CA 1 -ATOM 1513 C C . LEU E 3 39 ? 15.127 65.494 10.543 1.00 23.98 ? ? ? ? ? ? 39 LEU A C 1 -ATOM 1514 O O . LEU E 3 39 ? 14.094 65.347 11.161 1.00 30.72 ? ? ? ? ? ? 39 LEU A O 1 -ATOM 1515 C CB . LEU E 3 39 ? 16.504 64.852 12.500 1.00 24.33 ? ? ? ? ? ? 39 LEU A CB 1 -ATOM 1516 C CG . LEU E 3 39 ? 16.183 63.373 12.289 1.00 27.54 ? ? ? ? ? ? 39 LEU A CG 1 -ATOM 1517 C CD1 . LEU E 3 39 ? 17.306 62.675 11.568 1.00 32.63 ? ? ? ? ? ? 39 LEU A CD1 1 -ATOM 1518 C CD2 . LEU E 3 39 ? 15.996 62.735 13.609 1.00 30.74 ? ? ? ? ? ? 39 LEU A CD2 1 -ATOM 1519 N N . TYR E 3 40 ? 15.208 65.437 9.218 1.00 26.10 ? ? ? ? ? ? 40 TYR A N 1 -ATOM 1520 C CA . TYR E 3 40 ? 14.026 65.199 8.385 1.00 26.88 ? ? ? ? ? ? 40 TYR A CA 1 -ATOM 1521 C C . TYR E 3 40 ? 13.616 63.740 8.387 1.00 25.83 ? ? ? ? ? ? 40 TYR A C 1 -ATOM 1522 O O . TYR E 3 40 ? 14.320 62.856 8.866 1.00 35.53 ? ? ? ? ? ? 40 TYR A O 1 -ATOM 1523 C CB . TYR E 3 40 ? 14.307 65.668 6.927 1.00 25.89 ? ? ? ? ? ? 40 TYR A CB 1 -ATOM 1524 C CG . TYR E 3 40 ? 14.768 67.120 6.856 1.00 31.74 ? ? ? ? ? ? 40 TYR A CG 1 -ATOM 1525 C CD1 . TYR E 3 40 ? 16.084 67.444 7.176 1.00 33.19 ? ? ? ? ? ? 40 TYR A CD1 1 -ATOM 1526 C CD2 . TYR E 3 40 ? 13.894 68.166 6.501 1.00 23.12 ? ? ? ? ? ? 40 TYR A CD2 1 -ATOM 1527 C CE1 . TYR E 3 40 ? 16.543 68.754 7.157 1.00 40.13 ? ? ? ? ? ? 40 TYR A CE1 1 -ATOM 1528 C CE2 . TYR E 3 40 ? 14.347 69.497 6.481 1.00 30.05 ? ? ? ? ? ? 40 TYR A CE2 1 -ATOM 1529 C CZ . TYR E 3 40 ? 15.688 69.784 6.814 1.00 39.57 ? ? ? ? ? ? 40 TYR A CZ 1 -ATOM 1530 O OH . TYR E 3 40 ? 16.232 71.069 6.805 1.00 43.94 ? ? ? ? ? ? 40 TYR A OH 1 -ATOM 1531 N N . TYR E 3 41 ? 12.473 63.512 7.783 1.00 18.85 ? ? ? ? ? ? 41 TYR A N 1 -ATOM 1532 C CA . TYR E 3 41 ? 11.884 62.195 7.647 1.00 17.23 ? ? ? ? ? ? 41 TYR A CA 1 -ATOM 1533 C C . TYR E 3 41 ? 11.000 62.260 6.388 1.00 20.33 ? ? ? ? ? ? 41 TYR A C 1 -ATOM 1534 O O . TYR E 3 41 ? 10.108 63.108 6.332 1.00 29.73 ? ? ? ? ? ? 41 TYR A O 1 -ATOM 1535 C CB . TYR E 3 41 ? 11.053 61.899 8.885 1.00 22.54 ? ? ? ? ? ? 41 TYR A CB 1 -ATOM 1536 C CG . TYR E 3 41 ? 10.404 60.566 8.775 1.00 23.25 ? ? ? ? ? ? 41 TYR A CG 1 -ATOM 1537 C CD1 . TYR E 3 41 ? 9.041 60.461 8.544 1.00 30.43 ? ? ? ? ? ? 41 TYR A CD1 1 -ATOM 1538 C CD2 . TYR E 3 41 ? 11.149 59.405 8.846 1.00 28.35 ? ? ? ? ? ? 41 TYR A CD2 1 -ATOM 1539 C CE1 . TYR E 3 41 ? 8.448 59.246 8.383 1.00 28.16 ? ? ? ? ? ? 41 TYR A CE1 1 -ATOM 1540 C CE2 . TYR E 3 41 ? 10.558 58.182 8.685 1.00 26.29 ? ? ? ? ? ? 41 TYR A CE2 1 -ATOM 1541 C CZ . TYR E 3 41 ? 9.214 58.115 8.451 1.00 26.78 ? ? ? ? ? ? 41 TYR A CZ 1 -ATOM 1542 O OH . TYR E 3 41 ? 8.613 56.899 8.245 1.00 40.04 ? ? ? ? ? ? 41 TYR A OH 1 -ATOM 1543 N N . ILE E 3 42 ? 11.223 61.384 5.407 1.00 25.22 ? ? ? ? ? ? 42 ILE A N 1 -ATOM 1544 C CA . ILE E 3 42 ? 10.508 61.418 4.113 1.00 29.55 ? ? ? ? ? ? 42 ILE A CA 1 -ATOM 1545 C C . ILE E 3 42 ? 9.097 60.766 4.072 1.00 30.50 ? ? ? ? ? ? 42 ILE A C 1 -ATOM 1546 O O . ILE E 3 42 ? 8.937 59.570 3.787 1.00 33.70 ? ? ? ? ? ? 42 ILE A O 1 -ATOM 1547 C CB . ILE E 3 42 ? 11.399 60.756 3.008 1.00 25.15 ? ? ? ? ? ? 42 ILE A CB 1 -ATOM 1548 C CG1 . ILE E 3 42 ? 12.791 61.393 2.982 1.00 27.91 ? ? ? ? ? ? 42 ILE A CG1 1 -ATOM 1549 C CG2 . ILE E 3 42 ? 10.815 61.014 1.643 1.00 33.96 ? ? ? ? ? ? 42 ILE A CG2 1 -ATOM 1550 C CD1 . ILE E 3 42 ? 13.620 60.983 1.766 1.00 21.39 ? ? ? ? ? ? 42 ILE A CD1 1 -ATOM 1551 N N . VAL E 3 43 ? 8.067 61.573 4.305 1.00 25.63 ? ? ? ? ? ? 43 VAL A N 1 -ATOM 1552 C CA . VAL E 3 43 ? 6.711 61.072 4.319 1.00 24.70 ? ? ? ? ? ? 43 VAL A CA 1 -ATOM 1553 C C . VAL E 3 43 ? 6.400 60.453 2.991 1.00 26.36 ? ? ? ? ? ? 43 VAL A C 1 -ATOM 1554 O O . VAL E 3 43 ? 6.246 59.249 2.908 1.00 30.84 ? ? ? ? ? ? 43 VAL A O 1 -ATOM 1555 C CB . VAL E 3 43 ? 5.727 62.168 4.555 1.00 25.96 ? ? ? ? ? ? 43 VAL A CB 1 -ATOM 1556 C CG1 . VAL E 3 43 ? 4.342 61.560 4.745 1.00 31.89 ? ? ? ? ? ? 43 VAL A CG1 1 -ATOM 1557 C CG2 . VAL E 3 43 ? 6.151 62.972 5.763 1.00 37.01 ? ? ? ? ? ? 43 VAL A CG2 1 -ATOM 1558 N N . LYS E 3 44 ? 6.334 61.276 1.948 1.00 30.92 ? ? ? ? ? ? 44 LYS A N 1 -ATOM 1559 C CA . LYS E 3 44 ? 6.056 60.831 0.574 1.00 27.91 ? ? ? ? ? ? 44 LYS A CA 1 -ATOM 1560 C C . LYS E 3 44 ? 7.105 61.394 -0.353 1.00 31.55 ? ? ? ? ? ? 44 LYS A C 1 -ATOM 1561 O O . LYS E 3 44 ? 7.423 62.577 -0.232 1.00 37.24 ? ? ? ? ? ? 44 LYS A O 1 -ATOM 1562 C CB . LYS E 3 44 ? 4.689 61.324 0.116 1.00 33.10 ? ? ? ? ? ? 44 LYS A CB 1 -ATOM 1563 C CG . LYS E 3 44 ? 4.479 61.470 -1.403 1.00 39.56 ? ? ? ? ? ? 44 LYS A CG 1 -ATOM 1564 C CD . LYS E 3 44 ? 3.076 62.049 -1.709 1.00 43.20 ? ? ? ? ? ? 44 LYS A CD 1 -ATOM 1565 C CE . LYS E 3 44 ? 2.888 63.449 -1.052 1.00 51.21 ? ? ? ? ? ? 44 LYS A CE 1 -ATOM 1566 N NZ . LYS E 3 44 ? 1.512 64.075 -1.019 1.00 40.62 ? ? ? ? ? ? 44 LYS A NZ 1 -ATOM 1567 N N . GLY E 3 45 ? 7.669 60.545 -1.225 1.00 33.47 ? ? ? ? ? ? 45 GLY A N 1 -ATOM 1568 C CA . GLY E 3 45 ? 8.641 60.985 -2.223 1.00 33.84 ? ? ? ? ? ? 45 GLY A CA 1 -ATOM 1569 C C . GLY E 3 45 ? 10.026 60.354 -2.156 1.00 29.69 ? ? ? ? ? ? 45 GLY A C 1 -ATOM 1570 O O . GLY E 3 45 ? 10.291 59.471 -1.346 1.00 32.11 ? ? ? ? ? ? 45 GLY A O 1 -ATOM 1571 N N . SER E 3 46 ? 10.899 60.826 -3.043 1.00 16.92 ? ? ? ? ? ? 46 SER A N 1 -ATOM 1572 C CA . SER E 3 46 ? 12.294 60.422 -3.136 1.00 17.10 ? ? ? ? ? ? 46 SER A CA 1 -ATOM 1573 C C . SER E 3 46 ? 13.149 61.689 -3.264 1.00 15.96 ? ? ? ? ? ? 46 SER A C 1 -ATOM 1574 O O . SER E 3 46 ? 12.738 62.687 -3.893 1.00 20.03 ? ? ? ? ? ? 46 SER A O 1 -ATOM 1575 C CB . SER E 3 46 ? 12.548 59.564 -4.373 1.00 21.99 ? ? ? ? ? ? 46 SER A CB 1 -ATOM 1576 O OG . SER E 3 46 ? 11.518 58.611 -4.519 1.00 36.00 ? ? ? ? ? ? 46 SER A OG 1 -ATOM 1577 N N . VAL E 3 47 ? 14.357 61.602 -2.742 1.00 7.03 ? ? ? ? ? ? 47 VAL A N 1 -ATOM 1578 C CA . VAL E 3 47 ? 15.281 62.700 -2.706 1.00 6.00 ? ? ? ? ? ? 47 VAL A CA 1 -ATOM 1579 C C . VAL E 3 47 ? 16.665 62.189 -3.107 1.00 7.63 ? ? ? ? ? ? 47 VAL A C 1 -ATOM 1580 O O . VAL E 3 47 ? 16.897 60.989 -3.058 1.00 23.70 ? ? ? ? ? ? 47 VAL A O 1 -ATOM 1581 C CB . VAL E 3 47 ? 15.257 63.259 -1.282 1.00 17.01 ? ? ? ? ? ? 47 VAL A CB 1 -ATOM 1582 C CG1 . VAL E 3 47 ? 16.310 62.573 -0.442 1.00 18.43 ? ? ? ? ? ? 47 VAL A CG1 1 -ATOM 1583 C CG2 . VAL E 3 47 ? 15.422 64.734 -1.334 1.00 27.34 ? ? ? ? ? ? 47 VAL A CG2 1 -ATOM 1584 N N . ALA E 3 48 ? 17.598 63.039 -3.509 1.00 6.41 ? ? ? ? ? ? 48 ALA A N 1 -ATOM 1585 C CA . ALA E 3 48 ? 18.915 62.499 -3.868 1.00 7.21 ? ? ? ? ? ? 48 ALA A CA 1 -ATOM 1586 C C . ALA E 3 48 ? 20.034 63.166 -3.057 1.00 7.10 ? ? ? ? ? ? 48 ALA A C 1 -ATOM 1587 O O . ALA E 3 48 ? 20.008 64.340 -2.819 1.00 15.44 ? ? ? ? ? ? 48 ALA A O 1 -ATOM 1588 C CB . ALA E 3 48 ? 19.162 62.704 -5.362 1.00 9.69 ? ? ? ? ? ? 48 ALA A CB 1 -ATOM 1589 N N . VAL E 3 49 ? 21.006 62.412 -2.592 1.00 7.28 ? ? ? ? ? ? 49 VAL A N 1 -ATOM 1590 C CA . VAL E 3 49 ? 22.082 62.992 -1.825 1.00 6.00 ? ? ? ? ? ? 49 VAL A CA 1 -ATOM 1591 C C . VAL E 3 49 ? 23.231 63.077 -2.761 1.00 6.00 ? ? ? ? ? ? 49 VAL A C 1 -ATOM 1592 O O . VAL E 3 49 ? 23.531 62.076 -3.408 1.00 15.08 ? ? ? ? ? ? 49 VAL A O 1 -ATOM 1593 C CB . VAL E 3 49 ? 22.529 62.100 -0.605 1.00 6.00 ? ? ? ? ? ? 49 VAL A CB 1 -ATOM 1594 C CG1 . VAL E 3 49 ? 23.614 62.837 0.275 1.00 6.77 ? ? ? ? ? ? 49 VAL A CG1 1 -ATOM 1595 C CG2 . VAL E 3 49 ? 21.350 61.778 0.210 1.00 6.00 ? ? ? ? ? ? 49 VAL A CG2 1 -ATOM 1596 N N . LEU E 3 50 ? 23.882 64.231 -2.830 1.00 8.56 ? ? ? ? ? ? 50 LEU A N 1 -ATOM 1597 C CA . LEU E 3 50 ? 25.047 64.424 -3.708 1.00 9.23 ? ? ? ? ? ? 50 LEU A CA 1 -ATOM 1598 C C . LEU E 3 50 ? 25.957 65.530 -3.153 1.00 9.79 ? ? ? ? ? ? 50 LEU A C 1 -ATOM 1599 O O . LEU E 3 50 ? 25.537 66.375 -2.357 1.00 15.61 ? ? ? ? ? ? 50 LEU A O 1 -ATOM 1600 C CB . LEU E 3 50 ? 24.551 64.786 -5.113 1.00 12.64 ? ? ? ? ? ? 50 LEU A CB 1 -ATOM 1601 C CG . LEU E 3 50 ? 23.551 65.951 -5.265 1.00 13.96 ? ? ? ? ? ? 50 LEU A CG 1 -ATOM 1602 C CD1 . LEU E 3 50 ? 24.253 67.224 -5.680 1.00 15.34 ? ? ? ? ? ? 50 LEU A CD1 1 -ATOM 1603 C CD2 . LEU E 3 50 ? 22.586 65.625 -6.337 1.00 11.99 ? ? ? ? ? ? 50 LEU A CD2 1 -ATOM 1604 N N . ILE E 3 51 ? 27.212 65.472 -3.537 1.00 6.00 ? ? ? ? ? ? 51 ILE A N 1 -ATOM 1605 C CA . ILE E 3 51 ? 28.216 66.427 -3.141 1.00 11.11 ? ? ? ? ? ? 51 ILE A CA 1 -ATOM 1606 C C . ILE E 3 51 ? 28.655 67.136 -4.420 1.00 15.65 ? ? ? ? ? ? 51 ILE A C 1 -ATOM 1607 O O . ILE E 3 51 ? 28.068 66.920 -5.475 1.00 15.27 ? ? ? ? ? ? 51 ILE A O 1 -ATOM 1608 C CB . ILE E 3 51 ? 29.476 65.728 -2.475 1.00 17.15 ? ? ? ? ? ? 51 ILE A CB 1 -ATOM 1609 C CG1 . ILE E 3 51 ? 29.656 64.289 -3.023 1.00 14.36 ? ? ? ? ? ? 51 ILE A CG1 1 -ATOM 1610 C CG2 . ILE E 3 51 ? 29.323 65.764 -0.992 1.00 23.73 ? ? ? ? ? ? 51 ILE A CG2 1 -ATOM 1611 C CD1 . ILE E 3 51 ? 30.974 63.599 -2.695 1.00 6.00 ? ? ? ? ? ? 51 ILE A CD1 1 -ATOM 1612 N N . LYS E 3 52 ? 29.693 67.959 -4.369 1.00 22.44 ? ? ? ? ? ? 52 LYS A N 1 -ATOM 1613 C CA . LYS E 3 52 ? 30.108 68.628 -5.596 1.00 20.38 ? ? ? ? ? ? 52 LYS A CA 1 -ATOM 1614 C C . LYS E 3 52 ? 31.587 68.725 -5.688 1.00 22.43 ? ? ? ? ? ? 52 LYS A C 1 -ATOM 1615 O O . LYS E 3 52 ? 32.302 68.658 -4.689 1.00 21.19 ? ? ? ? ? ? 52 LYS A O 1 -ATOM 1616 C CB . LYS E 3 52 ? 29.522 70.046 -5.682 1.00 28.41 ? ? ? ? ? ? 52 LYS A CB 1 -ATOM 1617 C CG . LYS E 3 52 ? 28.058 70.080 -6.134 1.00 31.04 ? ? ? ? ? ? 52 LYS A CG 1 -ATOM 1618 C CD . LYS E 3 52 ? 27.343 71.403 -5.920 1.00 36.18 ? ? ? ? ? ? 52 LYS A CD 1 -ATOM 1619 C CE . LYS E 3 52 ? 27.987 72.582 -6.629 1.00 41.84 ? ? ? ? ? ? 52 LYS A CE 1 -ATOM 1620 N NZ . LYS E 3 52 ? 27.030 73.730 -6.488 1.00 41.22 ? ? ? ? ? ? 52 LYS A NZ 1 -ATOM 1621 N N . ASP E 3 53 ? 32.008 68.837 -6.937 1.00 34.02 ? ? ? ? ? ? 53 ASP A N 1 -ATOM 1622 C CA . ASP E 3 53 ? 33.384 69.003 -7.350 1.00 40.67 ? ? ? ? ? ? 53 ASP A CA 1 -ATOM 1623 C C . ASP E 3 53 ? 33.751 70.462 -7.129 1.00 41.31 ? ? ? ? ? ? 53 ASP A C 1 -ATOM 1624 O O . ASP E 3 53 ? 32.881 71.326 -7.115 1.00 43.84 ? ? ? ? ? ? 53 ASP A O 1 -ATOM 1625 C CB . ASP E 3 53 ? 33.477 68.581 -8.823 1.00 47.56 ? ? ? ? ? ? 53 ASP A CB 1 -ATOM 1626 C CG . ASP E 3 53 ? 34.229 69.556 -9.693 1.00 51.22 ? ? ? ? ? ? 53 ASP A CG 1 -ATOM 1627 O OD1 . ASP E 3 53 ? 35.353 69.966 -9.336 1.00 55.00 ? ? ? ? ? ? 53 ASP A OD1 1 -ATOM 1628 O OD2 . ASP E 3 53 ? 33.685 69.900 -10.761 1.00 52.60 ? ? ? ? ? ? 53 ASP A OD2 1 -ATOM 1629 N N . GLU E 3 54 ? 35.036 70.744 -7.006 1.00 39.04 ? ? ? ? ? ? 54 GLU A N 1 -ATOM 1630 C CA . GLU E 3 54 ? 35.502 72.093 -6.731 1.00 43.86 ? ? ? ? ? ? 54 GLU A CA 1 -ATOM 1631 C C . GLU E 3 54 ? 34.884 73.156 -7.653 1.00 46.87 ? ? ? ? ? ? 54 GLU A C 1 -ATOM 1632 O O . GLU E 3 54 ? 34.958 74.366 -7.361 1.00 47.75 ? ? ? ? ? ? 54 GLU A O 1 -ATOM 1633 C CB . GLU E 3 54 ? 37.016 72.107 -6.852 1.00 45.27 ? ? ? ? ? ? 54 GLU A CB 1 -ATOM 1634 C CG . GLU E 3 54 ? 37.712 71.097 -5.923 1.00 50.95 ? ? ? ? ? ? 54 GLU A CG 1 -ATOM 1635 C CD . GLU E 3 54 ? 37.478 69.623 -6.307 1.00 51.54 ? ? ? ? ? ? 54 GLU A CD 1 -ATOM 1636 O OE1 . GLU E 3 54 ? 37.701 69.268 -7.490 1.00 48.23 ? ? ? ? ? ? 54 GLU A OE1 1 -ATOM 1637 O OE2 . GLU E 3 54 ? 37.074 68.825 -5.427 1.00 54.62 ? ? ? ? ? ? 54 GLU A OE2 1 -ATOM 1638 N N . GLU E 3 55 ? 34.269 72.694 -8.747 1.00 45.46 ? ? ? ? ? ? 55 GLU A N 1 -ATOM 1639 C CA . GLU E 3 55 ? 33.633 73.572 -9.719 1.00 42.78 ? ? ? ? ? ? 55 GLU A CA 1 -ATOM 1640 C C . GLU E 3 55 ? 32.198 73.153 -10.124 1.00 37.52 ? ? ? ? ? ? 55 GLU A C 1 -ATOM 1641 O O . GLU E 3 55 ? 31.670 73.617 -11.145 1.00 38.04 ? ? ? ? ? ? 55 GLU A O 1 -ATOM 1642 C CB . GLU E 3 55 ? 34.511 73.651 -10.982 1.00 45.25 ? ? ? ? ? ? 55 GLU A CB 1 -ATOM 1643 C CG . GLU E 3 55 ? 35.959 74.135 -10.752 1.00 53.87 ? ? ? ? ? ? 55 GLU A CG 1 -ATOM 1644 C CD . GLU E 3 55 ? 36.046 75.472 -10.019 1.00 49.85 ? ? ? ? ? ? 55 GLU A CD 1 -ATOM 1645 O OE1 . GLU E 3 55 ? 35.313 76.426 -10.387 1.00 48.93 ? ? ? ? ? ? 55 GLU A OE1 1 -ATOM 1646 O OE2 . GLU E 3 55 ? 36.857 75.546 -9.068 1.00 51.97 ? ? ? ? ? ? 55 GLU A OE2 1 -ATOM 1647 N N . GLY E 3 56 ? 31.555 72.273 -9.375 1.00 24.83 ? ? ? ? ? ? 56 GLY A N 1 -ATOM 1648 C CA . GLY E 3 56 ? 30.199 71.989 -9.762 1.00 24.43 ? ? ? ? ? ? 56 GLY A CA 1 -ATOM 1649 C C . GLY E 3 56 ? 29.922 70.586 -10.196 1.00 21.38 ? ? ? ? ? ? 56 GLY A C 1 -ATOM 1650 O O . GLY E 3 56 ? 28.780 70.191 -10.114 1.00 35.28 ? ? ? ? ? ? 56 GLY A O 1 -ATOM 1651 N N . LYS E 3 57 ? 30.884 69.822 -10.679 1.00 17.10 ? ? ? ? ? ? 57 LYS A N 1 -ATOM 1652 C CA . LYS E 3 57 ? 30.536 68.465 -11.059 1.00 12.63 ? ? ? ? ? ? 57 LYS A CA 1 -ATOM 1653 C C . LYS E 3 57 ? 29.951 67.777 -9.837 1.00 13.37 ? ? ? ? ? ? 57 LYS A C 1 -ATOM 1654 O O . LYS E 3 57 ? 30.558 67.721 -8.781 1.00 18.45 ? ? ? ? ? ? 57 LYS A O 1 -ATOM 1655 C CB . LYS E 3 57 ? 31.775 67.708 -11.537 1.00 25.65 ? ? ? ? ? ? 57 LYS A CB 1 -ATOM 1656 C CG . LYS E 3 57 ? 31.671 66.192 -11.770 1.00 37.17 ? ? ? ? ? ? 57 LYS A CG 1 -ATOM 1657 C CD . LYS E 3 57 ? 30.701 65.785 -12.899 1.00 49.62 ? ? ? ? ? ? 57 LYS A CD 1 -ATOM 1658 C CE . LYS E 3 57 ? 30.905 64.308 -13.371 1.00 47.06 ? ? ? ? ? ? 57 LYS A CE 1 -ATOM 1659 N NZ . LYS E 3 57 ? 30.004 63.900 -14.522 1.00 39.56 ? ? ? ? ? ? 57 LYS A NZ 1 -ATOM 1660 N N . GLU E 3 58 ? 28.727 67.311 -10.000 1.00 10.43 ? ? ? ? ? ? 58 GLU A N 1 -ATOM 1661 C CA . GLU E 3 58 ? 28.072 66.576 -8.966 1.00 11.37 ? ? ? ? ? ? 58 GLU A CA 1 -ATOM 1662 C C . GLU E 3 58 ? 28.541 65.125 -9.032 1.00 14.73 ? ? ? ? ? ? 58 GLU A C 1 -ATOM 1663 O O . GLU E 3 58 ? 29.151 64.735 -10.011 1.00 24.78 ? ? ? ? ? ? 58 GLU A O 1 -ATOM 1664 C CB . GLU E 3 58 ? 26.559 66.683 -9.166 1.00 25.30 ? ? ? ? ? ? 58 GLU A CB 1 -ATOM 1665 C CG . GLU E 3 58 ? 26.072 68.127 -9.195 1.00 29.25 ? ? ? ? ? ? 58 GLU A CG 1 -ATOM 1666 C CD . GLU E 3 58 ? 24.557 68.268 -9.137 1.00 36.69 ? ? ? ? ? ? 58 GLU A CD 1 -ATOM 1667 O OE1 . GLU E 3 58 ? 24.073 69.418 -9.133 1.00 36.06 ? ? ? ? ? ? 58 GLU A OE1 1 -ATOM 1668 O OE2 . GLU E 3 58 ? 23.838 67.245 -9.077 1.00 40.91 ? ? ? ? ? ? 58 GLU A OE2 1 -ATOM 1669 N N . MET E 3 59 ? 28.250 64.365 -7.981 1.00 9.85 ? ? ? ? ? ? 59 MET A N 1 -ATOM 1670 C CA . MET E 3 59 ? 28.563 62.946 -7.777 1.00 6.00 ? ? ? ? ? ? 59 MET A CA 1 -ATOM 1671 C C . MET E 3 59 ? 27.441 62.518 -6.871 1.00 7.80 ? ? ? ? ? ? 59 MET A C 1 -ATOM 1672 O O . MET E 3 59 ? 27.509 62.757 -5.683 1.00 27.55 ? ? ? ? ? ? 59 MET A O 1 -ATOM 1673 C CB . MET E 3 59 ? 29.885 62.741 -7.026 1.00 17.09 ? ? ? ? ? ? 59 MET A CB 1 -ATOM 1674 C CG . MET E 3 59 ? 30.725 61.395 -7.180 1.00 24.34 ? ? ? ? ? ? 59 MET A CG 1 -ATOM 1675 S SD . MET E 3 59 ? 29.955 59.781 -6.747 1.00 32.69 ? ? ? ? ? ? 59 MET A SD 1 -ATOM 1676 C CE . MET E 3 59 ? 30.903 58.743 -7.804 1.00 24.75 ? ? ? ? ? ? 59 MET A CE 1 -ATOM 1677 N N . ILE E 3 60 ? 26.345 61.996 -7.405 1.00 11.68 ? ? ? ? ? ? 60 ILE A N 1 -ATOM 1678 C CA . ILE E 3 60 ? 25.287 61.537 -6.520 1.00 8.06 ? ? ? ? ? ? 60 ILE A CA 1 -ATOM 1679 C C . ILE E 3 60 ? 25.776 60.408 -5.584 1.00 12.64 ? ? ? ? ? ? 60 ILE A C 1 -ATOM 1680 O O . ILE E 3 60 ? 26.314 59.405 -6.055 1.00 10.42 ? ? ? ? ? ? 60 ILE A O 1 -ATOM 1681 C CB . ILE E 3 60 ? 24.162 60.992 -7.290 1.00 7.69 ? ? ? ? ? ? 60 ILE A CB 1 -ATOM 1682 C CG1 . ILE E 3 60 ? 23.555 62.080 -8.158 1.00 6.00 ? ? ? ? ? ? 60 ILE A CG1 1 -ATOM 1683 C CG2 . ILE E 3 60 ? 23.200 60.391 -6.325 1.00 8.49 ? ? ? ? ? ? 60 ILE A CG2 1 -ATOM 1684 C CD1 . ILE E 3 60 ? 22.294 61.637 -8.806 1.00 6.00 ? ? ? ? ? ? 60 ILE A CD1 1 -ATOM 1685 N N . LEU E 3 61 ? 25.606 60.576 -4.274 1.00 17.04 ? ? ? ? ? ? 61 LEU A N 1 -ATOM 1686 C CA . LEU E 3 61 ? 26.032 59.558 -3.287 1.00 14.85 ? ? ? ? ? ? 61 LEU A CA 1 -ATOM 1687 C C . LEU E 3 61 ? 25.047 58.442 -3.116 1.00 15.71 ? ? ? ? ? ? 61 LEU A C 1 -ATOM 1688 O O . LEU E 3 61 ? 25.488 57.314 -2.943 1.00 13.65 ? ? ? ? ? ? 61 LEU A O 1 -ATOM 1689 C CB . LEU E 3 61 ? 26.231 60.106 -1.869 1.00 7.01 ? ? ? ? ? ? 61 LEU A CB 1 -ATOM 1690 C CG . LEU E 3 61 ? 27.579 60.698 -1.564 1.00 9.87 ? ? ? ? ? ? 61 LEU A CG 1 -ATOM 1691 C CD1 . LEU E 3 61 ? 27.713 60.911 -0.077 1.00 6.62 ? ? ? ? ? ? 61 LEU A CD1 1 -ATOM 1692 C CD2 . LEU E 3 61 ? 28.637 59.762 -2.054 1.00 11.64 ? ? ? ? ? ? 61 LEU A CD2 1 -ATOM 1693 N N . SER E 3 62 ? 23.748 58.781 -3.081 1.00 13.52 ? ? ? ? ? ? 62 SER A N 1 -ATOM 1694 C CA . SER E 3 62 ? 22.621 57.837 -2.913 1.00 12.70 ? ? ? ? ? ? 62 SER A CA 1 -ATOM 1695 C C . SER E 3 62 ? 21.274 58.536 -3.104 1.00 14.27 ? ? ? ? ? ? 62 SER A C 1 -ATOM 1696 O O . SER E 3 62 ? 21.203 59.749 -3.002 1.00 21.89 ? ? ? ? ? ? 62 SER A O 1 -ATOM 1697 C CB . SER E 3 62 ? 22.678 57.216 -1.495 1.00 18.25 ? ? ? ? ? ? 62 SER A CB 1 -ATOM 1698 O OG . SER E 3 62 ? 21.555 56.392 -1.167 1.00 22.32 ? ? ? ? ? ? 62 SER A OG 1 -ATOM 1699 N N . TYR E 3 63 ? 20.211 57.803 -3.427 1.00 16.66 ? ? ? ? ? ? 63 TYR A N 1 -ATOM 1700 C CA . TYR E 3 63 ? 18.880 58.425 -3.463 1.00 17.17 ? ? ? ? ? ? 63 TYR A CA 1 -ATOM 1701 C C . TYR E 3 63 ? 18.262 57.974 -2.158 1.00 22.08 ? ? ? ? ? ? 63 TYR A C 1 -ATOM 1702 O O . TYR E 3 63 ? 18.661 56.939 -1.620 1.00 26.67 ? ? ? ? ? ? 63 TYR A O 1 -ATOM 1703 C CB . TYR E 3 63 ? 17.972 57.917 -4.611 1.00 25.46 ? ? ? ? ? ? 63 TYR A CB 1 -ATOM 1704 C CG . TYR E 3 63 ? 18.406 58.316 -6.006 1.00 26.60 ? ? ? ? ? ? 63 TYR A CG 1 -ATOM 1705 C CD1 . TYR E 3 63 ? 18.601 59.643 -6.354 1.00 27.88 ? ? ? ? ? ? 63 TYR A CD1 1 -ATOM 1706 C CD2 . TYR E 3 63 ? 18.650 57.354 -6.977 1.00 29.79 ? ? ? ? ? ? 63 TYR A CD2 1 -ATOM 1707 C CE1 . TYR E 3 63 ? 19.040 59.994 -7.643 1.00 30.60 ? ? ? ? ? ? 63 TYR A CE1 1 -ATOM 1708 C CE2 . TYR E 3 63 ? 19.084 57.694 -8.262 1.00 30.50 ? ? ? ? ? ? 63 TYR A CE2 1 -ATOM 1709 C CZ . TYR E 3 63 ? 19.280 59.008 -8.589 1.00 31.72 ? ? ? ? ? ? 63 TYR A CZ 1 -ATOM 1710 O OH . TYR E 3 63 ? 19.732 59.312 -9.854 1.00 23.33 ? ? ? ? ? ? 63 TYR A OH 1 -ATOM 1711 N N . LEU E 3 64 ? 17.295 58.717 -1.641 1.00 27.35 ? ? ? ? ? ? 64 LEU A N 1 -ATOM 1712 C CA . LEU E 3 64 ? 16.679 58.380 -0.365 1.00 26.74 ? ? ? ? ? ? 64 LEU A CA 1 -ATOM 1713 C C . LEU E 3 64 ? 15.184 58.367 -0.605 1.00 30.54 ? ? ? ? ? ? 64 LEU A C 1 -ATOM 1714 O O . LEU E 3 64 ? 14.690 59.340 -1.158 1.00 25.17 ? ? ? ? ? ? 64 LEU A O 1 -ATOM 1715 C CB . LEU E 3 64 ? 17.076 59.438 0.652 1.00 6.73 ? ? ? ? ? ? 64 LEU A CB 1 -ATOM 1716 C CG . LEU E 3 64 ? 17.895 59.013 1.845 1.00 6.00 ? ? ? ? ? ? 64 LEU A CG 1 -ATOM 1717 C CD1 . LEU E 3 64 ? 19.095 58.273 1.438 1.00 8.98 ? ? ? ? ? ? 64 LEU A CD1 1 -ATOM 1718 C CD2 . LEU E 3 64 ? 18.322 60.189 2.555 1.00 6.00 ? ? ? ? ? ? 64 LEU A CD2 1 -ATOM 1719 N N . ASN E 3 65 ? 14.477 57.292 -0.226 1.00 35.25 ? ? ? ? ? ? 65 ASN A N 1 -ATOM 1720 C CA . ASN E 3 65 ? 13.029 57.160 -0.498 1.00 30.63 ? ? ? ? ? ? 65 ASN A CA 1 -ATOM 1721 C C . ASN E 3 65 ? 12.106 57.385 0.730 1.00 28.38 ? ? ? ? ? ? 65 ASN A C 1 -ATOM 1722 O O . ASN E 3 65 ? 12.578 57.708 1.833 1.00 23.29 ? ? ? ? ? ? 65 ASN A O 1 -ATOM 1723 C CB . ASN E 3 65 ? 12.768 55.764 -1.093 1.00 29.39 ? ? ? ? ? ? 65 ASN A CB 1 -ATOM 1724 C CG . ASN E 3 65 ? 13.589 55.492 -2.353 1.00 22.64 ? ? ? ? ? ? 65 ASN A CG 1 -ATOM 1725 O OD1 . ASN E 3 65 ? 14.793 55.230 -2.286 1.00 22.55 ? ? ? ? ? ? 65 ASN A OD1 1 -ATOM 1726 N ND2 . ASN E 3 65 ? 12.927 55.540 -3.508 1.00 21.44 ? ? ? ? ? ? 65 ASN A ND2 1 -ATOM 1727 N N . GLN E 3 66 ? 10.794 57.196 0.562 1.00 22.94 ? ? ? ? ? ? 66 GLN A N 1 -ATOM 1728 C CA . GLN E 3 66 ? 9.914 57.467 1.680 1.00 22.12 ? ? ? ? ? ? 66 GLN A CA 1 -ATOM 1729 C C . GLN E 3 66 ? 10.164 56.488 2.766 1.00 27.93 ? ? ? ? ? ? 66 GLN A C 1 -ATOM 1730 O O . GLN E 3 66 ? 10.397 55.305 2.536 1.00 35.38 ? ? ? ? ? ? 66 GLN A O 1 -ATOM 1731 C CB . GLN E 3 66 ? 8.425 57.405 1.288 1.00 24.81 ? ? ? ? ? ? 66 GLN A CB 1 -ATOM 1732 C CG . GLN E 3 66 ? 7.767 56.099 0.817 1.00 23.84 ? ? ? ? ? ? 66 GLN A CG 1 -ATOM 1733 C CD . GLN E 3 66 ? 6.221 56.271 0.708 1.00 34.69 ? ? ? ? ? ? 66 GLN A CD 1 -ATOM 1734 O OE1 . GLN E 3 66 ? 5.548 55.659 -0.126 1.00 39.05 ? ? ? ? ? ? 66 GLN A OE1 1 -ATOM 1735 N NE2 . GLN E 3 66 ? 5.667 57.121 1.563 1.00 31.00 ? ? ? ? ? ? 66 GLN A NE2 1 -ATOM 1736 N N . GLY E 3 67 ? 10.133 56.997 3.977 1.00 28.63 ? ? ? ? ? ? 67 GLY A N 1 -ATOM 1737 C CA . GLY E 3 67 ? 10.386 56.138 5.090 1.00 26.95 ? ? ? ? ? ? 67 GLY A CA 1 -ATOM 1738 C C . GLY E 3 67 ? 11.853 56.192 5.355 1.00 27.89 ? ? ? ? ? ? 67 GLY A C 1 -ATOM 1739 O O . GLY E 3 67 ? 12.395 55.242 5.878 1.00 37.41 ? ? ? ? ? ? 67 GLY A O 1 -ATOM 1740 N N . ASP E 3 68 ? 12.517 57.280 4.983 1.00 24.35 ? ? ? ? ? ? 68 ASP A N 1 -ATOM 1741 C CA . ASP E 3 68 ? 13.945 57.400 5.301 1.00 26.61 ? ? ? ? ? ? 68 ASP A CA 1 -ATOM 1742 C C . ASP E 3 68 ? 14.165 58.634 6.184 1.00 23.54 ? ? ? ? ? ? 68 ASP A C 1 -ATOM 1743 O O . ASP E 3 68 ? 13.338 59.517 6.172 1.00 26.06 ? ? ? ? ? ? 68 ASP A O 1 -ATOM 1744 C CB . ASP E 3 68 ? 14.763 57.521 4.001 1.00 22.95 ? ? ? ? ? ? 68 ASP A CB 1 -ATOM 1745 C CG . ASP E 3 68 ? 15.496 56.224 3.626 1.00 24.75 ? ? ? ? ? ? 68 ASP A CG 1 -ATOM 1746 O OD1 . ASP E 3 68 ? 15.106 55.504 2.676 1.00 13.07 ? ? ? ? ? ? 68 ASP A OD1 1 -ATOM 1747 O OD2 . ASP E 3 68 ? 16.500 55.935 4.305 1.00 30.67 ? ? ? ? ? ? 68 ASP A OD2 1 -ATOM 1748 N N . PHE E 3 69 ? 15.213 58.681 6.998 1.00 20.68 ? ? ? ? ? ? 69 PHE A N 1 -ATOM 1749 C CA . PHE E 3 69 ? 15.493 59.879 7.797 1.00 19.92 ? ? ? ? ? ? 69 PHE A CA 1 -ATOM 1750 C C . PHE E 3 69 ? 16.525 60.739 7.053 1.00 20.69 ? ? ? ? ? ? 69 PHE A C 1 -ATOM 1751 O O . PHE E 3 69 ? 17.391 60.174 6.396 1.00 26.10 ? ? ? ? ? ? 69 PHE A O 1 -ATOM 1752 C CB . PHE E 3 69 ? 16.095 59.522 9.149 1.00 28.80 ? ? ? ? ? ? 69 PHE A CB 1 -ATOM 1753 C CG . PHE E 3 69 ? 15.138 58.927 10.137 1.00 34.08 ? ? ? ? ? ? 69 PHE A CG 1 -ATOM 1754 C CD1 . PHE E 3 69 ? 14.123 59.702 10.695 1.00 28.93 ? ? ? ? ? ? 69 PHE A CD1 1 -ATOM 1755 C CD2 . PHE E 3 69 ? 15.277 57.587 10.539 1.00 38.04 ? ? ? ? ? ? 69 PHE A CD2 1 -ATOM 1756 C CE1 . PHE E 3 69 ? 13.255 59.150 11.641 1.00 32.17 ? ? ? ? ? ? 69 PHE A CE1 1 -ATOM 1757 C CE2 . PHE E 3 69 ? 14.425 57.023 11.476 1.00 30.56 ? ? ? ? ? ? 69 PHE A CE2 1 -ATOM 1758 C CZ . PHE E 3 69 ? 13.403 57.810 12.031 1.00 32.26 ? ? ? ? ? ? 69 PHE A CZ 1 -ATOM 1759 N N . ILE E 3 70 ? 16.490 62.072 7.157 1.00 18.58 ? ? ? ? ? ? 70 ILE A N 1 -ATOM 1760 C CA . ILE E 3 70 ? 17.498 62.892 6.454 1.00 26.28 ? ? ? ? ? ? 70 ILE A CA 1 -ATOM 1761 C C . ILE E 3 70 ? 18.234 63.861 7.380 1.00 30.93 ? ? ? ? ? ? 70 ILE A C 1 -ATOM 1762 O O . ILE E 3 70 ? 17.638 64.501 8.238 1.00 43.35 ? ? ? ? ? ? 70 ILE A O 1 -ATOM 1763 C CB . ILE E 3 70 ? 16.920 63.804 5.355 1.00 34.75 ? ? ? ? ? ? 70 ILE A CB 1 -ATOM 1764 C CG1 . ILE E 3 70 ? 16.022 63.039 4.387 1.00 38.94 ? ? ? ? ? ? 70 ILE A CG1 1 -ATOM 1765 C CG2 . ILE E 3 70 ? 18.074 64.350 4.546 1.00 37.06 ? ? ? ? ? ? 70 ILE A CG2 1 -ATOM 1766 C CD1 . ILE E 3 70 ? 15.300 63.970 3.381 1.00 44.51 ? ? ? ? ? ? 70 ILE A CD1 1 -ATOM 1767 N N . GLY E 3 71 ? 19.535 64.015 7.178 1.00 33.69 ? ? ? ? ? ? 71 GLY A N 1 -ATOM 1768 C CA . GLY E 3 71 ? 20.282 64.937 8.009 1.00 25.56 ? ? ? ? ? ? 71 GLY A CA 1 -ATOM 1769 C C . GLY E 3 71 ? 20.388 64.425 9.431 1.00 24.70 ? ? ? ? ? ? 71 GLY A C 1 -ATOM 1770 O O . GLY E 3 71 ? 20.198 65.192 10.371 1.00 29.91 ? ? ? ? ? ? 71 GLY A O 1 -ATOM 1771 N N . GLU E 3 72 ? 20.710 63.141 9.601 1.00 13.93 ? ? ? ? ? ? 72 GLU A N 1 -ATOM 1772 C CA . GLU E 3 72 ? 20.832 62.623 10.936 1.00 12.48 ? ? ? ? ? ? 72 GLU A CA 1 -ATOM 1773 C C . GLU E 3 72 ? 22.274 62.670 11.391 1.00 11.30 ? ? ? ? ? ? 72 GLU A C 1 -ATOM 1774 O O . GLU E 3 72 ? 22.589 62.200 12.474 1.00 17.78 ? ? ? ? ? ? 72 GLU A O 1 -ATOM 1775 C CB . GLU E 3 72 ? 20.317 61.171 11.013 1.00 13.01 ? ? ? ? ? ? 72 GLU A CB 1 -ATOM 1776 C CG . GLU E 3 72 ? 21.236 60.065 10.399 1.00 18.25 ? ? ? ? ? ? 72 GLU A CG 1 -ATOM 1777 C CD . GLU E 3 72 ? 21.276 60.043 8.866 1.00 16.76 ? ? ? ? ? ? 72 GLU A CD 1 -ATOM 1778 O OE1 . GLU E 3 72 ? 20.306 60.513 8.239 1.00 11.12 ? ? ? ? ? ? 72 GLU A OE1 1 -ATOM 1779 O OE2 . GLU E 3 72 ? 22.277 59.551 8.294 1.00 15.76 ? ? ? ? ? ? 72 GLU A OE2 1 -ATOM 1780 N N . LEU E 3 73 ? 23.179 63.230 10.607 1.00 9.81 ? ? ? ? ? ? 73 LEU A N 1 -ATOM 1781 C CA . LEU E 3 73 ? 24.587 63.222 11.057 1.00 13.82 ? ? ? ? ? ? 73 LEU A CA 1 -ATOM 1782 C C . LEU E 3 73 ? 24.964 64.320 12.050 1.00 17.22 ? ? ? ? ? ? 73 LEU A C 1 -ATOM 1783 O O . LEU E 3 73 ? 26.076 64.349 12.539 1.00 14.89 ? ? ? ? ? ? 73 LEU A O 1 -ATOM 1784 C CB . LEU E 3 73 ? 25.527 63.298 9.836 1.00 14.15 ? ? ? ? ? ? 73 LEU A CB 1 -ATOM 1785 C CG . LEU E 3 73 ? 25.782 61.937 9.125 1.00 14.99 ? ? ? ? ? ? 73 LEU A CG 1 -ATOM 1786 C CD1 . LEU E 3 73 ? 24.860 60.857 9.671 1.00 21.16 ? ? ? ? ? ? 73 LEU A CD1 1 -ATOM 1787 C CD2 . LEU E 3 73 ? 25.495 62.078 7.629 1.00 8.97 ? ? ? ? ? ? 73 LEU A CD2 1 -ATOM 1788 N N . GLY E 3 74 ? 24.038 65.217 12.375 1.00 30.27 ? ? ? ? ? ? 74 GLY A N 1 -ATOM 1789 C CA . GLY E 3 74 ? 24.353 66.270 13.328 1.00 33.67 ? ? ? ? ? ? 74 GLY A CA 1 -ATOM 1790 C C . GLY E 3 74 ? 23.872 65.896 14.713 1.00 34.03 ? ? ? ? ? ? 74 GLY A C 1 -ATOM 1791 O O . GLY E 3 74 ? 24.427 66.303 15.737 1.00 39.53 ? ? ? ? ? ? 74 GLY A O 1 -ATOM 1792 N N . LEU E 3 75 ? 22.829 65.080 14.708 1.00 26.27 ? ? ? ? ? ? 75 LEU A N 1 -ATOM 1793 C CA . LEU E 3 75 ? 22.162 64.571 15.881 1.00 23.17 ? ? ? ? ? ? 75 LEU A CA 1 -ATOM 1794 C C . LEU E 3 75 ? 23.062 64.115 17.022 1.00 25.64 ? ? ? ? ? ? 75 LEU A C 1 -ATOM 1795 O O . LEU E 3 75 ? 22.563 63.981 18.131 1.00 34.35 ? ? ? ? ? ? 75 LEU A O 1 -ATOM 1796 C CB . LEU E 3 75 ? 21.299 63.421 15.455 1.00 29.90 ? ? ? ? ? ? 75 LEU A CB 1 -ATOM 1797 C CG . LEU E 3 75 ? 20.410 62.799 16.499 1.00 40.14 ? ? ? ? ? ? 75 LEU A CG 1 -ATOM 1798 C CD1 . LEU E 3 75 ? 19.480 63.847 17.131 1.00 35.25 ? ? ? ? ? ? 75 LEU A CD1 1 -ATOM 1799 C CD2 . LEU E 3 75 ? 19.632 61.691 15.802 1.00 46.55 ? ? ? ? ? ? 75 LEU A CD2 1 -ATOM 1800 N N . PHE E 3 76 ? 24.351 63.863 16.776 1.00 29.39 ? ? ? ? ? ? 76 PHE A N 1 -ATOM 1801 C CA . PHE E 3 76 ? 25.232 63.328 17.823 1.00 30.43 ? ? ? ? ? ? 76 PHE A CA 1 -ATOM 1802 C C . PHE E 3 76 ? 26.430 64.224 18.119 1.00 33.08 ? ? ? ? ? ? 76 PHE A C 1 -ATOM 1803 O O . PHE E 3 76 ? 27.470 63.721 18.556 1.00 39.56 ? ? ? ? ? ? 76 PHE A O 1 -ATOM 1804 C CB . PHE E 3 76 ? 25.825 61.946 17.450 1.00 36.92 ? ? ? ? ? ? 76 PHE A CB 1 -ATOM 1805 C CG . PHE E 3 76 ? 24.898 61.037 16.711 1.00 38.34 ? ? ? ? ? ? 76 PHE A CG 1 -ATOM 1806 C CD1 . PHE E 3 76 ? 24.024 60.212 17.377 1.00 39.90 ? ? ? ? ? ? 76 PHE A CD1 1 -ATOM 1807 C CD2 . PHE E 3 76 ? 24.899 61.026 15.330 1.00 38.51 ? ? ? ? ? ? 76 PHE A CD2 1 -ATOM 1808 C CE1 . PHE E 3 76 ? 23.163 59.392 16.668 1.00 39.12 ? ? ? ? ? ? 76 PHE A CE1 1 -ATOM 1809 C CE2 . PHE E 3 76 ? 24.045 60.211 14.625 1.00 34.14 ? ? ? ? ? ? 76 PHE A CE2 1 -ATOM 1810 C CZ . PHE E 3 76 ? 23.179 59.400 15.298 1.00 25.35 ? ? ? ? ? ? 76 PHE A CZ 1 -ATOM 1811 N N . GLU E 3 77 ? 26.336 65.522 17.878 1.00 31.61 ? ? ? ? ? ? 77 GLU A N 1 -ATOM 1812 C CA . GLU E 3 77 ? 27.451 66.404 18.189 1.00 33.42 ? ? ? ? ? ? 77 GLU A CA 1 -ATOM 1813 C C . GLU E 3 77 ? 26.985 67.802 17.924 1.00 35.76 ? ? ? ? ? ? 77 GLU A C 1 -ATOM 1814 O O . GLU E 3 77 ? 25.972 67.976 17.278 1.00 46.52 ? ? ? ? ? ? 77 GLU A O 1 -ATOM 1815 C CB . GLU E 3 77 ? 28.675 66.042 17.322 1.00 34.97 ? ? ? ? ? ? 77 GLU A CB 1 -ATOM 1816 C CG . GLU E 3 77 ? 29.904 66.925 17.598 1.00 51.06 ? ? ? ? ? ? 77 GLU A CG 1 -ATOM 1817 C CD . GLU E 3 77 ? 31.263 66.279 17.279 1.00 55.00 ? ? ? ? ? ? 77 GLU A CD 1 -ATOM 1818 O OE1 . GLU E 3 77 ? 31.515 65.160 17.790 1.00 55.00 ? ? ? ? ? ? 77 GLU A OE1 1 -ATOM 1819 O OE2 . GLU E 3 77 ? 32.085 66.893 16.549 1.00 54.67 ? ? ? ? ? ? 77 GLU A OE2 1 -ATOM 1820 N N . GLU E 3 78 ? 27.679 68.809 18.420 1.00 41.85 ? ? ? ? ? ? 78 GLU A N 1 -ATOM 1821 C CA . GLU E 3 78 ? 27.189 70.174 18.243 1.00 44.81 ? ? ? ? ? ? 78 GLU A CA 1 -ATOM 1822 C C . GLU E 3 78 ? 27.858 70.930 17.107 1.00 45.88 ? ? ? ? ? ? 78 GLU A C 1 -ATOM 1823 O O . GLU E 3 78 ? 29.008 70.645 16.770 1.00 47.34 ? ? ? ? ? ? 78 GLU A O 1 -ATOM 1824 C CB . GLU E 3 78 ? 27.391 70.971 19.536 1.00 45.21 ? ? ? ? ? ? 78 GLU A CB 1 -ATOM 1825 C CG . GLU E 3 78 ? 26.689 70.419 20.792 1.00 45.88 ? ? ? ? ? ? 78 GLU A CG 1 -ATOM 1826 C CD . GLU E 3 78 ? 25.188 70.692 20.848 1.00 43.78 ? ? ? ? ? ? 78 GLU A CD 1 -ATOM 1827 O OE1 . GLU E 3 78 ? 24.748 71.674 20.201 1.00 43.55 ? ? ? ? ? ? 78 GLU A OE1 1 -ATOM 1828 O OE2 . GLU E 3 78 ? 24.475 69.923 21.551 1.00 37.15 ? ? ? ? ? ? 78 GLU A OE2 1 -ATOM 1829 N N . GLY E 3 79 ? 27.102 71.872 16.529 1.00 46.22 ? ? ? ? ? ? 79 GLY A N 1 -ATOM 1830 C CA . GLY E 3 79 ? 27.586 72.776 15.489 1.00 48.69 ? ? ? ? ? ? 79 GLY A CA 1 -ATOM 1831 C C . GLY E 3 79 ? 28.298 72.166 14.276 1.00 42.68 ? ? ? ? ? ? 79 GLY A C 1 -ATOM 1832 O O . GLY E 3 79 ? 29.325 72.698 13.778 1.00 30.47 ? ? ? ? ? ? 79 GLY A O 1 -ATOM 1833 N N . GLN E 3 80 ? 27.772 71.053 13.783 1.00 45.11 ? ? ? ? ? ? 80 GLN A N 1 -ATOM 1834 C CA . GLN E 3 80 ? 28.360 70.473 12.601 1.00 42.89 ? ? ? ? ? ? 80 GLN A CA 1 -ATOM 1835 C C . GLN E 3 80 ? 27.525 70.938 11.420 1.00 41.23 ? ? ? ? ? ? 80 GLN A C 1 -ATOM 1836 O O . GLN E 3 80 ? 26.302 71.124 11.541 1.00 39.58 ? ? ? ? ? ? 80 GLN A O 1 -ATOM 1837 C CB . GLN E 3 80 ? 28.359 68.940 12.715 1.00 46.42 ? ? ? ? ? ? 80 GLN A CB 1 -ATOM 1838 C CG . GLN E 3 80 ? 29.252 68.388 13.832 1.00 43.16 ? ? ? ? ? ? 80 GLN A CG 1 -ATOM 1839 C CD . GLN E 3 80 ? 29.474 66.891 13.706 1.00 48.16 ? ? ? ? ? ? 80 GLN A CD 1 -ATOM 1840 O OE1 . GLN E 3 80 ? 30.557 66.429 13.310 1.00 42.62 ? ? ? ? ? ? 80 GLN A OE1 1 -ATOM 1841 N NE2 . GLN E 3 80 ? 28.443 66.121 14.028 1.00 46.28 ? ? ? ? ? ? 80 GLN A NE2 1 -ATOM 1842 N N . GLU E 3 81 ? 28.186 71.163 10.293 1.00 36.87 ? ? ? ? ? ? 81 GLU A N 1 -ATOM 1843 C CA . GLU E 3 81 ? 27.487 71.603 9.083 1.00 35.83 ? ? ? ? ? ? 81 GLU A CA 1 -ATOM 1844 C C . GLU E 3 81 ? 26.672 70.453 8.445 1.00 36.60 ? ? ? ? ? ? 81 GLU A C 1 -ATOM 1845 O O . GLU E 3 81 ? 26.724 69.319 8.936 1.00 35.61 ? ? ? ? ? ? 81 GLU A O 1 -ATOM 1846 C CB . GLU E 3 81 ? 28.524 72.129 8.107 1.00 41.66 ? ? ? ? ? ? 81 GLU A CB 1 -ATOM 1847 C CG . GLU E 3 81 ? 29.510 73.051 8.809 1.00 44.03 ? ? ? ? ? ? 81 GLU A CG 1 -ATOM 1848 C CD . GLU E 3 81 ? 30.367 73.852 7.879 1.00 49.44 ? ? ? ? ? ? 81 GLU A CD 1 -ATOM 1849 O OE1 . GLU E 3 81 ? 30.417 75.076 8.086 1.00 55.00 ? ? ? ? ? ? 81 GLU A OE1 1 -ATOM 1850 O OE2 . GLU E 3 81 ? 30.989 73.283 6.958 1.00 48.69 ? ? ? ? ? ? 81 GLU A OE2 1 -ATOM 1851 N N . ARG E 3 82 ? 25.895 70.748 7.396 1.00 27.15 ? ? ? ? ? ? 82 ARG A N 1 -ATOM 1852 C CA . ARG E 3 82 ? 25.130 69.725 6.672 1.00 23.90 ? ? ? ? ? ? 82 ARG A CA 1 -ATOM 1853 C C . ARG E 3 82 ? 26.166 69.218 5.662 1.00 20.67 ? ? ? ? ? ? 82 ARG A C 1 -ATOM 1854 O O . ARG E 3 82 ? 26.767 70.046 4.983 1.00 27.73 ? ? ? ? ? ? 82 ARG A O 1 -ATOM 1855 C CB . ARG E 3 82 ? 23.936 70.359 5.960 1.00 20.29 ? ? ? ? ? ? 82 ARG A CB 1 -ATOM 1856 C CG . ARG E 3 82 ? 22.982 71.156 6.834 1.00 26.02 ? ? ? ? ? ? 82 ARG A CG 1 -ATOM 1857 C CD . ARG E 3 82 ? 21.699 70.447 7.165 1.00 18.92 ? ? ? ? ? ? 82 ARG A CD 1 -ATOM 1858 N NE . ARG E 3 82 ? 21.919 69.244 7.969 1.00 41.63 ? ? ? ? ? ? 82 ARG A NE 1 -ATOM 1859 C CZ . ARG E 3 82 ? 20.977 68.632 8.691 1.00 38.51 ? ? ? ? ? ? 82 ARG A CZ 1 -ATOM 1860 N NH1 . ARG E 3 82 ? 19.715 69.089 8.731 1.00 33.68 ? ? ? ? ? ? 82 ARG A NH1 1 -ATOM 1861 N NH2 . ARG E 3 82 ? 21.307 67.555 9.387 1.00 38.07 ? ? ? ? ? ? 82 ARG A NH2 1 -ATOM 1862 N N . SER E 3 83 ? 26.376 67.905 5.537 1.00 10.76 ? ? ? ? ? ? 83 SER A N 1 -ATOM 1863 C CA . SER E 3 83 ? 27.491 67.424 4.701 1.00 11.30 ? ? ? ? ? ? 83 SER A CA 1 -ATOM 1864 C C . SER E 3 83 ? 27.305 67.181 3.208 1.00 6.17 ? ? ? ? ? ? 83 SER A C 1 -ATOM 1865 O O . SER E 3 83 ? 28.297 66.884 2.547 1.00 8.10 ? ? ? ? ? ? 83 SER A O 1 -ATOM 1866 C CB . SER E 3 83 ? 28.080 66.115 5.275 1.00 6.00 ? ? ? ? ? ? 83 SER A CB 1 -ATOM 1867 O OG . SER E 3 83 ? 27.145 65.043 5.227 1.00 10.48 ? ? ? ? ? ? 83 SER A OG 1 -ATOM 1868 N N . ALA E 3 84 ? 26.112 67.312 2.666 1.00 6.00 ? ? ? ? ? ? 84 ALA A N 1 -ATOM 1869 C CA . ALA E 3 84 ? 25.907 67.047 1.234 1.00 13.33 ? ? ? ? ? ? 84 ALA A CA 1 -ATOM 1870 C C . ALA E 3 84 ? 24.703 67.799 0.768 1.00 14.80 ? ? ? ? ? ? 84 ALA A C 1 -ATOM 1871 O O . ALA E 3 84 ? 24.214 68.695 1.449 1.00 19.43 ? ? ? ? ? ? 84 ALA A O 1 -ATOM 1872 C CB . ALA E 3 84 ? 25.678 65.541 0.972 1.00 22.03 ? ? ? ? ? ? 84 ALA A CB 1 -ATOM 1873 N N . TRP E 3 85 ? 24.214 67.430 -0.394 1.00 11.47 ? ? ? ? ? ? 85 TRP A N 1 -ATOM 1874 C CA . TRP E 3 85 ? 23.019 68.068 -0.873 1.00 11.40 ? ? ? ? ? ? 85 TRP A CA 1 -ATOM 1875 C C . TRP E 3 85 ? 21.912 67.055 -1.014 1.00 10.37 ? ? ? ? ? ? 85 TRP A C 1 -ATOM 1876 O O . TRP E 3 85 ? 22.139 65.862 -1.158 1.00 20.14 ? ? ? ? ? ? 85 TRP A O 1 -ATOM 1877 C CB . TRP E 3 85 ? 23.300 68.713 -2.199 1.00 21.53 ? ? ? ? ? ? 85 TRP A CB 1 -ATOM 1878 C CG . TRP E 3 85 ? 23.682 70.120 -2.147 1.00 21.10 ? ? ? ? ? ? 85 TRP A CG 1 -ATOM 1879 C CD1 . TRP E 3 85 ? 22.833 71.166 -2.150 1.00 21.65 ? ? ? ? ? ? 85 TRP A CD1 1 -ATOM 1880 C CD2 . TRP E 3 85 ? 24.991 70.665 -2.223 1.00 12.05 ? ? ? ? ? ? 85 TRP A CD2 1 -ATOM 1881 N NE1 . TRP E 3 85 ? 23.526 72.342 -2.251 1.00 13.68 ? ? ? ? ? ? 85 TRP A NE1 1 -ATOM 1882 C CE2 . TRP E 3 85 ? 24.856 72.063 -2.303 1.00 15.41 ? ? ? ? ? ? 85 TRP A CE2 1 -ATOM 1883 C CE3 . TRP E 3 85 ? 26.257 70.115 -2.251 1.00 13.77 ? ? ? ? ? ? 85 TRP A CE3 1 -ATOM 1884 C CZ2 . TRP E 3 85 ? 25.934 72.918 -2.411 1.00 6.21 ? ? ? ? ? ? 85 TRP A CZ2 1 -ATOM 1885 C CZ3 . TRP E 3 85 ? 27.344 70.964 -2.357 1.00 15.30 ? ? ? ? ? ? 85 TRP A CZ3 1 -ATOM 1886 C CH2 . TRP E 3 85 ? 27.172 72.349 -2.442 1.00 18.90 ? ? ? ? ? ? 85 TRP A CH2 1 -ATOM 1887 N N . VAL E 3 86 ? 20.703 67.544 -1.041 1.00 6.00 ? ? ? ? ? ? 86 VAL A N 1 -ATOM 1888 C CA . VAL E 3 86 ? 19.566 66.691 -1.097 1.00 6.00 ? ? ? ? ? ? 86 VAL A CA 1 -ATOM 1889 C C . VAL E 3 86 ? 18.480 67.505 -1.788 1.00 13.05 ? ? ? ? ? ? 86 VAL A C 1 -ATOM 1890 O O . VAL E 3 86 ? 18.044 68.556 -1.278 1.00 19.10 ? ? ? ? ? ? 86 VAL A O 1 -ATOM 1891 C CB . VAL E 3 86 ? 19.164 66.285 0.351 1.00 6.00 ? ? ? ? ? ? 86 VAL A CB 1 -ATOM 1892 C CG1 . VAL E 3 86 ? 17.905 65.475 0.357 1.00 7.70 ? ? ? ? ? ? 86 VAL A CG1 1 -ATOM 1893 C CG2 . VAL E 3 86 ? 20.252 65.488 0.952 1.00 6.00 ? ? ? ? ? ? 86 VAL A CG2 1 -ATOM 1894 N N . ARG E 3 87 ? 18.078 67.020 -2.960 1.00 17.12 ? ? ? ? ? ? 87 ARG A N 1 -ATOM 1895 C CA . ARG E 3 87 ? 17.091 67.633 -3.828 1.00 19.39 ? ? ? ? ? ? 87 ARG A CA 1 -ATOM 1896 C C . ARG E 3 87 ? 15.949 66.657 -4.071 1.00 23.02 ? ? ? ? ? ? 87 ARG A C 1 -ATOM 1897 O O . ARG E 3 87 ? 16.187 65.500 -4.343 1.00 27.12 ? ? ? ? ? ? 87 ARG A O 1 -ATOM 1898 C CB . ARG E 3 87 ? 17.784 68.008 -5.140 1.00 14.28 ? ? ? ? ? ? 87 ARG A CB 1 -ATOM 1899 C CG . ARG E 3 87 ? 16.849 68.186 -6.314 1.00 29.50 ? ? ? ? ? ? 87 ARG A CG 1 -ATOM 1900 C CD . ARG E 3 87 ? 17.570 68.425 -7.657 1.00 30.53 ? ? ? ? ? ? 87 ARG A CD 1 -ATOM 1901 N NE . ARG E 3 87 ? 18.262 67.287 -8.268 1.00 37.35 ? ? ? ? ? ? 87 ARG A NE 1 -ATOM 1902 C CZ . ARG E 3 87 ? 19.565 67.275 -8.582 1.00 42.86 ? ? ? ? ? ? 87 ARG A CZ 1 -ATOM 1903 N NH1 . ARG E 3 87 ? 20.323 68.349 -8.330 1.00 35.93 ? ? ? ? ? ? 87 ARG A NH1 1 -ATOM 1904 N NH2 . ARG E 3 87 ? 20.115 66.203 -9.179 1.00 27.91 ? ? ? ? ? ? 87 ARG A NH2 1 -ATOM 1905 N N . ALA E 3 88 ? 14.710 67.110 -3.974 1.00 30.45 ? ? ? ? ? ? 88 ALA A N 1 -ATOM 1906 C CA . ALA E 3 88 ? 13.575 66.227 -4.192 1.00 32.40 ? ? ? ? ? ? 88 ALA A CA 1 -ATOM 1907 C C . ALA E 3 88 ? 13.623 65.688 -5.590 1.00 33.41 ? ? ? ? ? ? 88 ALA A C 1 -ATOM 1908 O O . ALA E 3 88 ? 13.683 66.465 -6.532 1.00 42.77 ? ? ? ? ? ? 88 ALA A O 1 -ATOM 1909 C CB . ALA E 3 88 ? 12.311 66.975 -4.006 1.00 31.17 ? ? ? ? ? ? 88 ALA A CB 1 -ATOM 1910 N N . LYS E 3 89 ? 13.631 64.370 -5.734 1.00 32.75 ? ? ? ? ? ? 89 LYS A N 1 -ATOM 1911 C CA . LYS E 3 89 ? 13.653 63.750 -7.061 1.00 34.42 ? ? ? ? ? ? 89 LYS A CA 1 -ATOM 1912 C C . LYS E 3 89 ? 12.225 63.831 -7.615 1.00 30.90 ? ? ? ? ? ? 89 LYS A C 1 -ATOM 1913 O O . LYS E 3 89 ? 11.980 63.888 -8.825 1.00 32.55 ? ? ? ? ? ? 89 LYS A O 1 -ATOM 1914 C CB . LYS E 3 89 ? 14.120 62.293 -6.930 1.00 35.68 ? ? ? ? ? ? 89 LYS A CB 1 -ATOM 1915 C CG . LYS E 3 89 ? 14.923 61.824 -8.113 1.00 36.56 ? ? ? ? ? ? 89 LYS A CG 1 -ATOM 1916 C CD . LYS E 3 89 ? 15.513 60.411 -7.969 1.00 34.14 ? ? ? ? ? ? 89 LYS A CD 1 -ATOM 1917 C CE . LYS E 3 89 ? 14.535 59.261 -8.223 1.00 36.64 ? ? ? ? ? ? 89 LYS A CE 1 -ATOM 1918 N NZ . LYS E 3 89 ? 13.699 58.787 -7.090 1.00 31.48 ? ? ? ? ? ? 89 LYS A NZ 1 -ATOM 1919 N N . THR E 3 90 ? 11.295 63.843 -6.665 1.00 30.89 ? ? ? ? ? ? 90 THR A N 1 -ATOM 1920 C CA . THR E 3 90 ? 9.860 63.965 -6.886 1.00 32.73 ? ? ? ? ? ? 90 THR A CA 1 -ATOM 1921 C C . THR E 3 90 ? 9.328 64.859 -5.788 1.00 33.54 ? ? ? ? ? ? 90 THR A C 1 -ATOM 1922 O O . THR E 3 90 ? 10.102 65.461 -5.047 1.00 40.04 ? ? ? ? ? ? 90 THR A O 1 -ATOM 1923 C CB . THR E 3 90 ? 9.112 62.620 -6.779 1.00 34.98 ? ? ? ? ? ? 90 THR A CB 1 -ATOM 1924 O OG1 . THR E 3 90 ? 9.450 62.011 -5.531 1.00 39.57 ? ? ? ? ? ? 90 THR A OG1 1 -ATOM 1925 C CG2 . THR E 3 90 ? 9.454 61.702 -7.948 1.00 40.12 ? ? ? ? ? ? 90 THR A CG2 1 -ATOM 1926 N N . ALA E 3 91 ? 8.018 64.961 -5.675 1.00 25.85 ? ? ? ? ? ? 91 ALA A N 1 -ATOM 1927 C CA . ALA E 3 91 ? 7.469 65.797 -4.633 1.00 27.82 ? ? ? ? ? ? 91 ALA A CA 1 -ATOM 1928 C C . ALA E 3 91 ? 7.696 65.150 -3.272 1.00 33.09 ? ? ? ? ? ? 91 ALA A C 1 -ATOM 1929 O O . ALA E 3 91 ? 7.710 63.934 -3.167 1.00 40.41 ? ? ? ? ? ? 91 ALA A O 1 -ATOM 1930 C CB . ALA E 3 91 ? 6.001 65.988 -4.906 1.00 33.09 ? ? ? ? ? ? 91 ALA A CB 1 -ATOM 1931 N N . CYS E 3 92 ? 7.856 65.918 -2.207 1.00 36.14 ? ? ? ? ? ? 92 CYS A N 1 -ATOM 1932 C CA . CYS E 3 92 ? 8.078 65.220 -0.961 1.00 44.77 ? ? ? ? ? ? 92 CYS A CA 1 -ATOM 1933 C C . CYS E 3 92 ? 7.499 65.844 0.302 1.00 51.16 ? ? ? ? ? ? 92 CYS A C 1 -ATOM 1934 O O . CYS E 3 92 ? 7.872 66.968 0.679 1.00 55.00 ? ? ? ? ? ? 92 CYS A O 1 -ATOM 1935 C CB . CYS E 3 92 ? 9.562 65.046 -0.727 1.00 45.43 ? ? ? ? ? ? 92 CYS A CB 1 -ATOM 1936 S SG . CYS E 3 92 ? 10.418 64.677 -2.190 1.00 41.87 ? ? ? ? ? ? 92 CYS A SG 1 -ATOM 1937 N N . GLU E 3 93 ? 6.573 65.131 0.942 1.00 45.15 ? ? ? ? ? ? 93 GLU A N 1 -ATOM 1938 C CA . GLU E 3 93 ? 6.115 65.568 2.247 1.00 40.07 ? ? ? ? ? ? 93 GLU A CA 1 -ATOM 1939 C C . GLU E 3 93 ? 7.268 65.124 3.163 1.00 38.57 ? ? ? ? ? ? 93 GLU A C 1 -ATOM 1940 O O . GLU E 3 93 ? 7.531 63.930 3.290 1.00 46.00 ? ? ? ? ? ? 93 GLU A O 1 -ATOM 1941 C CB . GLU E 3 93 ? 4.852 64.846 2.683 1.00 40.37 ? ? ? ? ? ? 93 GLU A CB 1 -ATOM 1942 C CG . GLU E 3 93 ? 3.622 65.062 1.879 1.00 43.07 ? ? ? ? ? ? 93 GLU A CG 1 -ATOM 1943 C CD . GLU E 3 93 ? 2.458 64.267 2.448 1.00 46.73 ? ? ? ? ? ? 93 GLU A CD 1 -ATOM 1944 O OE1 . GLU E 3 93 ? 2.482 63.886 3.656 1.00 45.91 ? ? ? ? ? ? 93 GLU A OE1 1 -ATOM 1945 O OE2 . GLU E 3 93 ? 1.512 64.026 1.669 1.00 50.53 ? ? ? ? ? ? 93 GLU A OE2 1 -ATOM 1946 N N . VAL E 3 94 ? 7.953 66.063 3.784 1.00 25.26 ? ? ? ? ? ? 94 VAL A N 1 -ATOM 1947 C CA . VAL E 3 94 ? 9.118 65.773 4.592 1.00 19.52 ? ? ? ? ? ? 94 VAL A CA 1 -ATOM 1948 C C . VAL E 3 94 ? 8.897 66.290 5.995 1.00 22.16 ? ? ? ? ? ? 94 VAL A C 1 -ATOM 1949 O O . VAL E 3 94 ? 8.955 67.495 6.223 1.00 27.41 ? ? ? ? ? ? 94 VAL A O 1 -ATOM 1950 C CB . VAL E 3 94 ? 10.345 66.451 3.948 1.00 27.22 ? ? ? ? ? ? 94 VAL A CB 1 -ATOM 1951 C CG1 . VAL E 3 94 ? 11.586 66.291 4.798 1.00 34.77 ? ? ? ? ? ? 94 VAL A CG1 1 -ATOM 1952 C CG2 . VAL E 3 94 ? 10.571 65.836 2.611 1.00 34.72 ? ? ? ? ? ? 94 VAL A CG2 1 -ATOM 1953 N N . ALA E 3 95 ? 8.633 65.384 6.932 1.00 21.55 ? ? ? ? ? ? 95 ALA A N 1 -ATOM 1954 C CA . ALA E 3 95 ? 8.413 65.749 8.331 1.00 19.89 ? ? ? ? ? ? 95 ALA A CA 1 -ATOM 1955 C C . ALA E 3 95 ? 9.648 66.317 8.977 1.00 17.88 ? ? ? ? ? ? 95 ALA A C 1 -ATOM 1956 O O . ALA E 3 95 ? 10.783 66.018 8.599 1.00 20.23 ? ? ? ? ? ? 95 ALA A O 1 -ATOM 1957 C CB . ALA E 3 95 ? 7.982 64.536 9.155 1.00 23.50 ? ? ? ? ? ? 95 ALA A CB 1 -ATOM 1958 N N . GLU E 3 96 ? 9.410 67.107 10.005 1.00 25.98 ? ? ? ? ? ? 96 GLU A N 1 -ATOM 1959 C CA . GLU E 3 96 ? 10.490 67.661 10.767 1.00 29.50 ? ? ? ? ? ? 96 GLU A CA 1 -ATOM 1960 C C . GLU E 3 96 ? 10.201 67.791 12.252 1.00 33.73 ? ? ? ? ? ? 96 GLU A C 1 -ATOM 1961 O O . GLU E 3 96 ? 9.084 68.046 12.689 1.00 35.78 ? ? ? ? ? ? 96 GLU A O 1 -ATOM 1962 C CB . GLU E 3 96 ? 10.866 69.051 10.274 1.00 27.63 ? ? ? ? ? ? 96 GLU A CB 1 -ATOM 1963 C CG . GLU E 3 96 ? 11.637 69.106 9.007 1.00 32.63 ? ? ? ? ? ? 96 GLU A CG 1 -ATOM 1964 C CD . GLU E 3 96 ? 10.858 69.759 7.912 1.00 44.18 ? ? ? ? ? ? 96 GLU A CD 1 -ATOM 1965 O OE1 . GLU E 3 96 ? 11.466 70.476 7.088 1.00 45.71 ? ? ? ? ? ? 96 GLU A OE1 1 -ATOM 1966 O OE2 . GLU E 3 96 ? 9.629 69.551 7.882 1.00 53.20 ? ? ? ? ? ? 96 GLU A OE2 1 -ATOM 1967 N N . ILE E 3 97 ? 11.291 67.564 12.971 1.00 36.22 ? ? ? ? ? ? 97 ILE A N 1 -ATOM 1968 C CA . ILE E 3 97 ? 11.520 67.749 14.392 1.00 37.13 ? ? ? ? ? ? 97 ILE A CA 1 -ATOM 1969 C C . ILE E 3 97 ? 12.756 68.579 14.553 1.00 35.72 ? ? ? ? ? ? 97 ILE A C 1 -ATOM 1970 O O . ILE E 3 97 ? 13.247 69.075 13.552 1.00 32.79 ? ? ? ? ? ? 97 ILE A O 1 -ATOM 1971 C CB . ILE E 3 97 ? 11.823 66.431 15.203 1.00 36.02 ? ? ? ? ? ? 97 ILE A CB 1 -ATOM 1972 C CG1 . ILE E 3 97 ? 11.163 65.223 14.564 1.00 35.70 ? ? ? ? ? ? 97 ILE A CG1 1 -ATOM 1973 C CG2 . ILE E 3 97 ? 11.213 66.545 16.624 1.00 24.59 ? ? ? ? ? ? 97 ILE A CG2 1 -ATOM 1974 C CD1 . ILE E 3 97 ? 11.442 63.942 15.305 1.00 39.90 ? ? ? ? ? ? 97 ILE A CD1 1 -ATOM 1975 N N . SER E 3 98 ? 13.287 68.758 15.749 1.00 40.49 ? ? ? ? ? ? 98 SER A N 1 -ATOM 1976 C CA . SER E 3 98 ? 14.551 69.491 15.807 1.00 43.85 ? ? ? ? ? ? 98 SER A CA 1 -ATOM 1977 C C . SER E 3 98 ? 15.480 68.575 16.566 1.00 42.09 ? ? ? ? ? ? 98 SER A C 1 -ATOM 1978 O O . SER E 3 98 ? 15.022 67.554 17.113 1.00 41.20 ? ? ? ? ? ? 98 SER A O 1 -ATOM 1979 C CB . SER E 3 98 ? 14.391 70.858 16.548 1.00 42.58 ? ? ? ? ? ? 98 SER A CB 1 -ATOM 1980 O OG . SER E 3 98 ? 14.027 70.740 17.910 1.00 44.95 ? ? ? ? ? ? 98 SER A OG 1 -ATOM 1981 N N . TYR E 3 99 ? 16.764 68.873 16.614 1.00 35.58 ? ? ? ? ? ? 99 TYR A N 1 -ATOM 1982 C CA . TYR E 3 99 ? 17.617 67.921 17.281 1.00 38.18 ? ? ? ? ? ? 99 TYR A CA 1 -ATOM 1983 C C . TYR E 3 99 ? 17.200 67.637 18.724 1.00 41.10 ? ? ? ? ? ? 99 TYR A C 1 -ATOM 1984 O O . TYR E 3 99 ? 17.006 66.472 19.136 1.00 35.74 ? ? ? ? ? ? 99 TYR A O 1 -ATOM 1985 C CB . TYR E 3 99 ? 19.056 68.436 17.217 1.00 32.98 ? ? ? ? ? ? 99 TYR A CB 1 -ATOM 1986 C CG . TYR E 3 99 ? 19.697 68.180 15.859 1.00 25.49 ? ? ? ? ? ? 99 TYR A CG 1 -ATOM 1987 C CD1 . TYR E 3 99 ? 18.969 67.607 14.814 1.00 29.95 ? ? ? ? ? ? 99 TYR A CD1 1 -ATOM 1988 C CD2 . TYR E 3 99 ? 21.021 68.488 15.627 1.00 22.03 ? ? ? ? ? ? 99 TYR A CD2 1 -ATOM 1989 C CE1 . TYR E 3 99 ? 19.544 67.349 13.585 1.00 23.04 ? ? ? ? ? ? 99 TYR A CE1 1 -ATOM 1990 C CE2 . TYR E 3 99 ? 21.607 68.239 14.409 1.00 19.43 ? ? ? ? ? ? 99 TYR A CE2 1 -ATOM 1991 C CZ . TYR E 3 99 ? 20.866 67.666 13.384 1.00 22.99 ? ? ? ? ? ? 99 TYR A CZ 1 -ATOM 1992 O OH . TYR E 3 99 ? 21.449 67.402 12.167 1.00 22.80 ? ? ? ? ? ? 99 TYR A OH 1 -ATOM 1993 N N . LYS E 3 100 ? 16.998 68.708 19.480 1.00 45.21 ? ? ? ? ? ? 100 LYS A N 1 -ATOM 1994 C CA . LYS E 3 100 ? 16.676 68.561 20.889 1.00 43.00 ? ? ? ? ? ? 100 LYS A CA 1 -ATOM 1995 C C . LYS E 3 100 ? 15.340 67.917 21.120 1.00 40.20 ? ? ? ? ? ? 100 LYS A C 1 -ATOM 1996 O O . LYS E 3 100 ? 15.254 67.016 21.960 1.00 41.22 ? ? ? ? ? ? 100 LYS A O 1 -ATOM 1997 C CB . LYS E 3 100 ? 16.724 69.934 21.591 1.00 35.73 ? ? ? ? ? ? 100 LYS A CB 1 -ATOM 1998 C CG . LYS E 3 100 ? 18.161 70.482 21.720 1.00 29.76 ? ? ? ? ? ? 100 LYS A CG 1 -ATOM 1999 C CD . LYS E 3 100 ? 18.414 71.768 20.923 1.00 33.34 ? ? ? ? ? ? 100 LYS A CD 1 -ATOM 2000 C CE . LYS E 3 100 ? 18.210 71.711 19.371 1.00 32.98 ? ? ? ? ? ? 100 LYS A CE 1 -ATOM 2001 N NZ . LYS E 3 100 ? 16.791 71.664 18.855 1.00 32.31 ? ? ? ? ? ? 100 LYS A NZ 1 -ATOM 2002 N N . LYS E 3 101 ? 14.299 68.313 20.396 1.00 24.97 ? ? ? ? ? ? 101 LYS A N 1 -ATOM 2003 C CA . LYS E 3 101 ? 13.056 67.660 20.732 1.00 29.84 ? ? ? ? ? ? 101 LYS A CA 1 -ATOM 2004 C C . LYS E 3 101 ? 13.182 66.176 20.428 1.00 37.14 ? ? ? ? ? ? 101 LYS A C 1 -ATOM 2005 O O . LYS E 3 101 ? 12.539 65.330 21.077 1.00 41.51 ? ? ? ? ? ? 101 LYS A O 1 -ATOM 2006 C CB . LYS E 3 101 ? 11.893 68.258 19.947 1.00 37.74 ? ? ? ? ? ? 101 LYS A CB 1 -ATOM 2007 C CG . LYS E 3 101 ? 10.519 67.818 20.523 1.00 43.67 ? ? ? ? ? ? 101 LYS A CG 1 -ATOM 2008 C CD . LYS E 3 101 ? 10.494 68.057 22.042 1.00 43.49 ? ? ? ? ? ? 101 LYS A CD 1 -ATOM 2009 C CE . LYS E 3 101 ? 9.179 67.691 22.696 1.00 50.32 ? ? ? ? ? ? 101 LYS A CE 1 -ATOM 2010 N NZ . LYS E 3 101 ? 9.374 67.623 24.180 1.00 43.61 ? ? ? ? ? ? 101 LYS A NZ 1 -ATOM 2011 N N . PHE E 3 102 ? 14.044 65.860 19.463 1.00 45.97 ? ? ? ? ? ? 102 PHE A N 1 -ATOM 2012 C CA . PHE E 3 102 ? 14.285 64.473 19.109 1.00 40.49 ? ? ? ? ? ? 102 PHE A CA 1 -ATOM 2013 C C . PHE E 3 102 ? 14.964 63.738 20.278 1.00 33.92 ? ? ? ? ? ? 102 PHE A C 1 -ATOM 2014 O O . PHE E 3 102 ? 14.473 62.698 20.702 1.00 35.16 ? ? ? ? ? ? 102 PHE A O 1 -ATOM 2015 C CB . PHE E 3 102 ? 15.173 64.382 17.859 1.00 30.78 ? ? ? ? ? ? 102 PHE A CB 1 -ATOM 2016 C CG . PHE E 3 102 ? 15.397 62.981 17.421 1.00 19.48 ? ? ? ? ? ? 102 PHE A CG 1 -ATOM 2017 C CD1 . PHE E 3 102 ? 14.377 62.268 16.870 1.00 21.14 ? ? ? ? ? ? 102 PHE A CD1 1 -ATOM 2018 C CD2 . PHE E 3 102 ? 16.623 62.382 17.582 1.00 26.31 ? ? ? ? ? ? 102 PHE A CD2 1 -ATOM 2019 C CE1 . PHE E 3 102 ? 14.565 60.979 16.484 1.00 25.78 ? ? ? ? ? ? 102 PHE A CE1 1 -ATOM 2020 C CE2 . PHE E 3 102 ? 16.836 61.075 17.197 1.00 28.19 ? ? ? ? ? ? 102 PHE A CE2 1 -ATOM 2021 C CZ . PHE E 3 102 ? 15.816 60.372 16.646 1.00 25.60 ? ? ? ? ? ? 102 PHE A CZ 1 -ATOM 2022 N N . ARG E 3 103 ? 16.073 64.260 20.806 1.00 33.19 ? ? ? ? ? ? 103 ARG A N 1 -ATOM 2023 C CA . ARG E 3 103 ? 16.729 63.605 21.947 1.00 37.05 ? ? ? ? ? ? 103 ARG A CA 1 -ATOM 2024 C C . ARG E 3 103 ? 15.728 63.449 23.119 1.00 43.35 ? ? ? ? ? ? 103 ARG A C 1 -ATOM 2025 O O . ARG E 3 103 ? 15.731 62.435 23.839 1.00 43.03 ? ? ? ? ? ? 103 ARG A O 1 -ATOM 2026 C CB . ARG E 3 103 ? 17.916 64.432 22.421 1.00 33.00 ? ? ? ? ? ? 103 ARG A CB 1 -ATOM 2027 C CG . ARG E 3 103 ? 18.814 64.818 21.332 1.00 24.18 ? ? ? ? ? ? 103 ARG A CG 1 -ATOM 2028 C CD . ARG E 3 103 ? 19.932 65.615 21.893 1.00 28.95 ? ? ? ? ? ? 103 ARG A CD 1 -ATOM 2029 N NE . ARG E 3 103 ? 20.518 66.415 20.820 1.00 35.23 ? ? ? ? ? ? 103 ARG A NE 1 -ATOM 2030 C CZ . ARG E 3 103 ? 21.816 66.637 20.659 1.00 29.70 ? ? ? ? ? ? 103 ARG A CZ 1 -ATOM 2031 N NH1 . ARG E 3 103 ? 22.710 66.122 21.495 1.00 30.43 ? ? ? ? ? ? 103 ARG A NH1 1 -ATOM 2032 N NH2 . ARG E 3 103 ? 22.221 67.395 19.658 1.00 38.48 ? ? ? ? ? ? 103 ARG A NH2 1 -ATOM 2033 N N . GLN E 3 104 ? 14.892 64.474 23.302 1.00 36.81 ? ? ? ? ? ? 104 GLN A N 1 -ATOM 2034 C CA . GLN E 3 104 ? 13.846 64.470 24.308 1.00 35.02 ? ? ? ? ? ? 104 GLN A CA 1 -ATOM 2035 C C . GLN E 3 104 ? 12.879 63.373 23.940 1.00 32.89 ? ? ? ? ? ? 104 GLN A C 1 -ATOM 2036 O O . GLN E 3 104 ? 12.262 62.769 24.786 1.00 36.28 ? ? ? ? ? ? 104 GLN A O 1 -ATOM 2037 C CB . GLN E 3 104 ? 13.140 65.842 24.331 1.00 45.28 ? ? ? ? ? ? 104 GLN A CB 1 -ATOM 2038 C CG . GLN E 3 104 ? 13.956 66.951 25.042 1.00 47.48 ? ? ? ? ? ? 104 GLN A CG 1 -ATOM 2039 C CD . GLN E 3 104 ? 13.487 68.386 24.755 1.00 53.21 ? ? ? ? ? ? 104 GLN A CD 1 -ATOM 2040 O OE1 . GLN E 3 104 ? 12.301 68.727 24.868 1.00 48.25 ? ? ? ? ? ? 104 GLN A OE1 1 -ATOM 2041 N NE2 . GLN E 3 104 ? 14.444 69.236 24.383 1.00 52.30 ? ? ? ? ? ? 104 GLN A NE2 1 -ATOM 2042 N N . LEU E 3 105 ? 12.758 63.127 22.649 1.00 33.82 ? ? ? ? ? ? 105 LEU A N 1 -ATOM 2043 C CA . LEU E 3 105 ? 11.908 62.077 22.132 1.00 34.59 ? ? ? ? ? ? 105 LEU A CA 1 -ATOM 2044 C C . LEU E 3 105 ? 12.575 60.723 22.230 1.00 37.42 ? ? ? ? ? ? 105 LEU A C 1 -ATOM 2045 O O . LEU E 3 105 ? 11.919 59.709 21.962 1.00 42.68 ? ? ? ? ? ? 105 LEU A O 1 -ATOM 2046 C CB . LEU E 3 105 ? 11.579 62.342 20.677 1.00 45.85 ? ? ? ? ? ? 105 LEU A CB 1 -ATOM 2047 C CG . LEU E 3 105 ? 10.730 63.542 20.304 1.00 43.79 ? ? ? ? ? ? 105 LEU A CG 1 -ATOM 2048 C CD1 . LEU E 3 105 ? 10.920 63.884 18.835 1.00 50.06 ? ? ? ? ? ? 105 LEU A CD1 1 -ATOM 2049 C CD2 . LEU E 3 105 ? 9.304 63.229 20.645 1.00 43.91 ? ? ? ? ? ? 105 LEU A CD2 1 -ATOM 2050 N N . ILE E 3 106 ? 13.868 60.699 22.563 1.00 40.48 ? ? ? ? ? ? 106 ILE A N 1 -ATOM 2051 C CA . ILE E 3 106 ? 14.614 59.434 22.677 1.00 42.64 ? ? ? ? ? ? 106 ILE A CA 1 -ATOM 2052 C C . ILE E 3 106 ? 14.595 58.810 24.083 1.00 47.81 ? ? ? ? ? ? 106 ILE A C 1 -ATOM 2053 O O . ILE E 3 106 ? 14.244 57.625 24.228 1.00 51.24 ? ? ? ? ? ? 106 ILE A O 1 -ATOM 2054 C CB . ILE E 3 106 ? 16.105 59.544 22.372 1.00 36.82 ? ? ? ? ? ? 106 ILE A CB 1 -ATOM 2055 C CG1 . ILE E 3 106 ? 16.359 60.281 21.078 1.00 41.93 ? ? ? ? ? ? 106 ILE A CG1 1 -ATOM 2056 C CG2 . ILE E 3 106 ? 16.661 58.133 22.176 1.00 42.11 ? ? ? ? ? ? 106 ILE A CG2 1 -ATOM 2057 C CD1 . ILE E 3 106 ? 17.837 60.397 20.805 1.00 39.03 ? ? ? ? ? ? 106 ILE A CD1 1 -ATOM 2058 N N . GLN E 3 107 ? 15.003 59.590 25.098 1.00 47.45 ? ? ? ? ? ? 107 GLN A N 1 -ATOM 2059 C CA . GLN E 3 107 ? 15.083 59.127 26.491 1.00 44.95 ? ? ? ? ? ? 107 GLN A CA 1 -ATOM 2060 C C . GLN E 3 107 ? 13.720 58.642 27.008 1.00 41.91 ? ? ? ? ? ? 107 GLN A C 1 -ATOM 2061 O O . GLN E 3 107 ? 13.572 58.302 28.181 1.00 47.41 ? ? ? ? ? ? 107 GLN A O 1 -ATOM 2062 C CB . GLN E 3 107 ? 15.637 60.284 27.346 1.00 52.08 ? ? ? ? ? ? 107 GLN A CB 1 -ATOM 2063 C CG . GLN E 3 107 ? 16.568 59.913 28.541 1.00 52.32 ? ? ? ? ? ? 107 GLN A CG 1 -ATOM 2064 C CD . GLN E 3 107 ? 15.862 59.661 29.885 1.00 55.00 ? ? ? ? ? ? 107 GLN A CD 1 -ATOM 2065 O OE1 . GLN E 3 107 ? 16.185 58.702 30.591 1.00 52.60 ? ? ? ? ? ? 107 GLN A OE1 1 -ATOM 2066 N NE2 . GLN E 3 107 ? 14.917 60.537 30.251 1.00 52.61 ? ? ? ? ? ? 107 GLN A NE2 1 -ATOM 2067 N N . VAL E 3 108 ? 12.712 58.676 26.142 1.00 38.72 ? ? ? ? ? ? 108 VAL A N 1 -ATOM 2068 C CA . VAL E 3 108 ? 11.360 58.338 26.538 1.00 41.32 ? ? ? ? ? ? 108 VAL A CA 1 -ATOM 2069 C C . VAL E 3 108 ? 11.091 56.989 25.817 1.00 48.15 ? ? ? ? ? ? 108 VAL A C 1 -ATOM 2070 O O . VAL E 3 108 ? 11.154 55.962 26.480 1.00 52.87 ? ? ? ? ? ? 108 VAL A O 1 -ATOM 2071 C CB . VAL E 3 108 ? 10.315 59.411 26.071 1.00 47.46 ? ? ? ? ? ? 108 VAL A CB 1 -ATOM 2072 C CG1 . VAL E 3 108 ? 8.914 59.040 26.584 1.00 52.09 ? ? ? ? ? ? 108 VAL A CG1 1 -ATOM 2073 C CG2 . VAL E 3 108 ? 10.692 60.777 26.618 1.00 50.35 ? ? ? ? ? ? 108 VAL A CG2 1 -ATOM 2074 N N . ASN E 3 109 ? 10.869 56.931 24.496 1.00 51.35 ? ? ? ? ? ? 109 ASN A N 1 -ATOM 2075 C CA . ASN E 3 109 ? 10.745 55.637 23.727 1.00 50.46 ? ? ? ? ? ? 109 ASN A CA 1 -ATOM 2076 C C . ASN E 3 109 ? 11.969 55.350 22.877 1.00 46.80 ? ? ? ? ? ? 109 ASN A C 1 -ATOM 2077 O O . ASN E 3 109 ? 12.034 55.776 21.729 1.00 52.04 ? ? ? ? ? ? 109 ASN A O 1 -ATOM 2078 C CB . ASN E 3 109 ? 9.546 55.532 22.769 1.00 54.74 ? ? ? ? ? ? 109 ASN A CB 1 -ATOM 2079 C CG . ASN E 3 109 ? 9.575 54.228 21.942 1.00 55.00 ? ? ? ? ? ? 109 ASN A CG 1 -ATOM 2080 O OD1 . ASN E 3 109 ? 10.471 53.395 22.102 1.00 50.39 ? ? ? ? ? ? 109 ASN A OD1 1 -ATOM 2081 N ND2 . ASN E 3 109 ? 8.596 54.056 21.062 1.00 55.00 ? ? ? ? ? ? 109 ASN A ND2 1 -ATOM 2082 N N . PRO E 3 110 ? 12.902 54.537 23.380 1.00 47.69 ? ? ? ? ? ? 110 PRO A N 1 -ATOM 2083 C CA . PRO E 3 110 ? 14.184 54.312 22.696 1.00 45.67 ? ? ? ? ? ? 110 PRO A CA 1 -ATOM 2084 C C . PRO E 3 110 ? 14.043 53.766 21.261 1.00 43.39 ? ? ? ? ? ? 110 PRO A C 1 -ATOM 2085 O O . PRO E 3 110 ? 14.993 53.821 20.470 1.00 38.25 ? ? ? ? ? ? 110 PRO A O 1 -ATOM 2086 C CB . PRO E 3 110 ? 14.914 53.371 23.652 1.00 44.78 ? ? ? ? ? ? 110 PRO A CB 1 -ATOM 2087 C CG . PRO E 3 110 ? 13.754 52.501 24.152 1.00 43.86 ? ? ? ? ? ? 110 PRO A CG 1 -ATOM 2088 C CD . PRO E 3 110 ? 12.804 53.626 24.564 1.00 46.08 ? ? ? ? ? ? 110 PRO A CD 1 -ATOM 2089 N N . ASP E 3 111 ? 12.848 53.311 20.904 1.00 37.97 ? ? ? ? ? ? 111 ASP A N 1 -ATOM 2090 C CA . ASP E 3 111 ? 12.653 52.671 19.625 1.00 39.63 ? ? ? ? ? ? 111 ASP A CA 1 -ATOM 2091 C C . ASP E 3 111 ? 13.221 53.406 18.418 1.00 44.48 ? ? ? ? ? ? 111 ASP A C 1 -ATOM 2092 O O . ASP E 3 111 ? 14.062 52.808 17.717 1.00 39.40 ? ? ? ? ? ? 111 ASP A O 1 -ATOM 2093 C CB . ASP E 3 111 ? 11.161 52.423 19.393 1.00 48.25 ? ? ? ? ? ? 111 ASP A CB 1 -ATOM 2094 C CG . ASP E 3 111 ? 10.895 51.126 18.591 1.00 48.08 ? ? ? ? ? ? 111 ASP A CG 1 -ATOM 2095 O OD1 . ASP E 3 111 ? 11.851 50.322 18.419 1.00 43.79 ? ? ? ? ? ? 111 ASP A OD1 1 -ATOM 2096 O OD2 . ASP E 3 111 ? 9.738 50.901 18.145 1.00 47.39 ? ? ? ? ? ? 111 ASP A OD2 1 -ATOM 2097 N N . ILE E 3 112 ? 12.816 54.667 18.167 1.00 48.35 ? ? ? ? ? ? 112 ILE A N 1 -ATOM 2098 C CA . ILE E 3 112 ? 13.295 55.373 16.956 1.00 44.75 ? ? ? ? ? ? 112 ILE A CA 1 -ATOM 2099 C C . ILE E 3 112 ? 14.773 55.701 16.961 1.00 41.87 ? ? ? ? ? ? 112 ILE A C 1 -ATOM 2100 O O . ILE E 3 112 ? 15.311 55.940 15.867 1.00 48.94 ? ? ? ? ? ? 112 ILE A O 1 -ATOM 2101 C CB . ILE E 3 112 ? 12.531 56.748 16.647 1.00 36.77 ? ? ? ? ? ? 112 ILE A CB 1 -ATOM 2102 C CG1 . ILE E 3 112 ? 12.367 57.586 17.918 1.00 37.30 ? ? ? ? ? ? 112 ILE A CG1 1 -ATOM 2103 C CG2 . ILE E 3 112 ? 11.223 56.426 15.958 1.00 34.08 ? ? ? ? ? ? 112 ILE A CG2 1 -ATOM 2104 C CD1 . ILE E 3 112 ? 13.649 58.261 18.423 1.00 36.80 ? ? ? ? ? ? 112 ILE A CD1 1 -ATOM 2105 N N . LEU E 3 113 ? 15.446 55.745 18.113 1.00 31.61 ? ? ? ? ? ? 113 LEU A N 1 -ATOM 2106 C CA . LEU E 3 113 ? 16.881 55.939 17.971 1.00 27.12 ? ? ? ? ? ? 113 LEU A CA 1 -ATOM 2107 C C . LEU E 3 113 ? 17.323 54.705 17.234 1.00 27.97 ? ? ? ? ? ? 113 LEU A C 1 -ATOM 2108 O O . LEU E 3 113 ? 18.153 54.775 16.328 1.00 25.44 ? ? ? ? ? ? 113 LEU A O 1 -ATOM 2109 C CB . LEU E 3 113 ? 17.656 55.983 19.294 1.00 22.58 ? ? ? ? ? ? 113 LEU A CB 1 -ATOM 2110 C CG . LEU E 3 113 ? 19.141 56.235 18.988 1.00 18.06 ? ? ? ? ? ? 113 LEU A CG 1 -ATOM 2111 C CD1 . LEU E 3 113 ? 19.228 57.151 17.782 1.00 19.08 ? ? ? ? ? ? 113 LEU A CD1 1 -ATOM 2112 C CD2 . LEU E 3 113 ? 19.853 56.889 20.172 1.00 20.10 ? ? ? ? ? ? 113 LEU A CD2 1 -ATOM 2113 N N . MET E 3 114 ? 16.709 53.581 17.605 1.00 26.77 ? ? ? ? ? ? 114 MET A N 1 -ATOM 2114 C CA . MET E 3 114 ? 17.028 52.332 16.953 1.00 30.66 ? ? ? ? ? ? 114 MET A CA 1 -ATOM 2115 C C . MET E 3 114 ? 16.657 52.385 15.517 1.00 32.97 ? ? ? ? ? ? 114 MET A C 1 -ATOM 2116 O O . MET E 3 114 ? 17.494 52.024 14.703 1.00 45.97 ? ? ? ? ? ? 114 MET A O 1 -ATOM 2117 C CB . MET E 3 114 ? 16.300 51.130 17.575 1.00 33.30 ? ? ? ? ? ? 114 MET A CB 1 -ATOM 2118 C CG . MET E 3 114 ? 17.002 50.465 18.783 1.00 37.71 ? ? ? ? ? ? 114 MET A CG 1 -ATOM 2119 S SD . MET E 3 114 ? 18.657 49.730 18.472 1.00 45.94 ? ? ? ? ? ? 114 MET A SD 1 -ATOM 2120 C CE . MET E 3 114 ? 18.267 48.085 17.927 1.00 48.02 ? ? ? ? ? ? 114 MET A CE 1 -ATOM 2121 N N . ARG E 3 115 ? 15.449 52.827 15.170 1.00 34.44 ? ? ? ? ? ? 115 ARG A N 1 -ATOM 2122 C CA . ARG E 3 115 ? 15.096 52.839 13.735 1.00 34.05 ? ? ? ? ? ? 115 ARG A CA 1 -ATOM 2123 C C . ARG E 3 115 ? 15.974 53.780 12.918 1.00 25.98 ? ? ? ? ? ? 115 ARG A C 1 -ATOM 2124 O O . ARG E 3 115 ? 16.183 53.550 11.743 1.00 28.70 ? ? ? ? ? ? 115 ARG A O 1 -ATOM 2125 C CB . ARG E 3 115 ? 13.595 53.211 13.520 1.00 28.57 ? ? ? ? ? ? 115 ARG A CB 1 -ATOM 2126 C CG . ARG E 3 115 ? 12.626 51.996 13.837 1.00 24.98 ? ? ? ? ? ? 115 ARG A CG 1 -ATOM 2127 C CD . ARG E 3 115 ? 11.093 52.206 13.574 1.00 27.12 ? ? ? ? ? ? 115 ARG A CD 1 -ATOM 2128 N NE . ARG E 3 115 ? 10.280 51.531 14.598 1.00 28.89 ? ? ? ? ? ? 115 ARG A NE 1 -ATOM 2129 C CZ . ARG E 3 115 ? 8.998 51.138 14.498 1.00 35.35 ? ? ? ? ? ? 115 ARG A CZ 1 -ATOM 2130 N NH1 . ARG E 3 115 ? 8.269 51.314 13.393 1.00 27.17 ? ? ? ? ? ? 115 ARG A NH1 1 -ATOM 2131 N NH2 . ARG E 3 115 ? 8.405 50.582 15.559 1.00 34.01 ? ? ? ? ? ? 115 ARG A NH2 1 -ATOM 2132 N N . LEU E 3 116 ? 16.528 54.815 13.517 1.00 25.40 ? ? ? ? ? ? 116 LEU A N 1 -ATOM 2133 C CA . LEU E 3 116 ? 17.410 55.673 12.750 1.00 20.29 ? ? ? ? ? ? 116 LEU A CA 1 -ATOM 2134 C C . LEU E 3 116 ? 18.768 54.960 12.568 1.00 27.21 ? ? ? ? ? ? 116 LEU A C 1 -ATOM 2135 O O . LEU E 3 116 ? 19.220 54.727 11.451 1.00 37.20 ? ? ? ? ? ? 116 LEU A O 1 -ATOM 2136 C CB . LEU E 3 116 ? 17.569 56.990 13.497 1.00 24.72 ? ? ? ? ? ? 116 LEU A CB 1 -ATOM 2137 C CG . LEU E 3 116 ? 18.483 58.072 12.934 1.00 27.81 ? ? ? ? ? ? 116 LEU A CG 1 -ATOM 2138 C CD1 . LEU E 3 116 ? 17.667 59.205 12.381 1.00 33.13 ? ? ? ? ? ? 116 LEU A CD1 1 -ATOM 2139 C CD2 . LEU E 3 116 ? 19.365 58.610 14.058 1.00 30.23 ? ? ? ? ? ? 116 LEU A CD2 1 -ATOM 2140 N N . SER E 3 117 ? 19.415 54.578 13.662 1.00 38.07 ? ? ? ? ? ? 117 SER A N 1 -ATOM 2141 C CA . SER E 3 117 ? 20.719 53.884 13.625 1.00 36.79 ? ? ? ? ? ? 117 SER A CA 1 -ATOM 2142 C C . SER E 3 117 ? 20.775 52.740 12.617 1.00 37.19 ? ? ? ? ? ? 117 SER A C 1 -ATOM 2143 O O . SER E 3 117 ? 21.813 52.478 11.992 1.00 42.34 ? ? ? ? ? ? 117 SER A O 1 -ATOM 2144 C CB . SER E 3 117 ? 21.069 53.295 14.996 1.00 38.67 ? ? ? ? ? ? 117 SER A CB 1 -ATOM 2145 O OG . SER E 3 117 ? 21.440 54.306 15.913 1.00 36.02 ? ? ? ? ? ? 117 SER A OG 1 -ATOM 2146 N N . ALA E 3 118 ? 19.663 52.040 12.476 1.00 22.60 ? ? ? ? ? ? 118 ALA A N 1 -ATOM 2147 C CA . ALA E 3 118 ? 19.629 50.945 11.554 1.00 19.84 ? ? ? ? ? ? 118 ALA A CA 1 -ATOM 2148 C C . ALA E 3 118 ? 19.901 51.440 10.131 1.00 22.40 ? ? ? ? ? ? 118 ALA A C 1 -ATOM 2149 O O . ALA E 3 118 ? 20.735 50.855 9.421 1.00 27.22 ? ? ? ? ? ? 118 ALA A O 1 -ATOM 2150 C CB . ALA E 3 118 ? 18.265 50.268 11.648 1.00 24.15 ? ? ? ? ? ? 118 ALA A CB 1 -ATOM 2151 N N . GLN E 3 119 ? 19.221 52.526 9.727 1.00 28.22 ? ? ? ? ? ? 119 GLN A N 1 -ATOM 2152 C CA . GLN E 3 119 ? 19.362 53.105 8.372 1.00 24.21 ? ? ? ? ? ? 119 GLN A CA 1 -ATOM 2153 C C . GLN E 3 119 ? 20.757 53.580 8.133 1.00 23.19 ? ? ? ? ? ? 119 GLN A C 1 -ATOM 2154 O O . GLN E 3 119 ? 21.231 53.510 7.012 1.00 30.33 ? ? ? ? ? ? 119 GLN A O 1 -ATOM 2155 C CB . GLN E 3 119 ? 18.427 54.288 8.166 1.00 18.30 ? ? ? ? ? ? 119 GLN A CB 1 -ATOM 2156 C CG . GLN E 3 119 ? 16.947 53.888 8.132 1.00 17.35 ? ? ? ? ? ? 119 GLN A CG 1 -ATOM 2157 C CD . GLN E 3 119 ? 16.015 55.084 8.034 1.00 14.29 ? ? ? ? ? ? 119 GLN A CD 1 -ATOM 2158 O OE1 . GLN E 3 119 ? 16.451 56.249 7.981 1.00 17.80 ? ? ? ? ? ? 119 GLN A OE1 1 -ATOM 2159 N NE2 . GLN E 3 119 ? 14.723 54.806 7.998 1.00 7.09 ? ? ? ? ? ? 119 GLN A NE2 1 -ATOM 2160 N N . MET E 3 120 ? 21.414 54.052 9.186 1.00 19.53 ? ? ? ? ? ? 120 MET A N 1 -ATOM 2161 C CA . MET E 3 120 ? 22.786 54.523 9.091 1.00 14.14 ? ? ? ? ? ? 120 MET A CA 1 -ATOM 2162 C C . MET E 3 120 ? 23.732 53.344 9.010 1.00 14.33 ? ? ? ? ? ? 120 MET A C 1 -ATOM 2163 O O . MET E 3 120 ? 24.902 53.517 8.733 1.00 24.43 ? ? ? ? ? ? 120 MET A O 1 -ATOM 2164 C CB . MET E 3 120 ? 23.191 55.363 10.317 1.00 19.81 ? ? ? ? ? ? 120 MET A CB 1 -ATOM 2165 C CG . MET E 3 120 ? 22.223 56.439 10.763 1.00 19.08 ? ? ? ? ? ? 120 MET A CG 1 -ATOM 2166 S SD . MET E 3 120 ? 23.222 57.697 11.506 1.00 23.10 ? ? ? ? ? ? 120 MET A SD 1 -ATOM 2167 C CE . MET E 3 120 ? 23.537 57.081 13.075 1.00 10.79 ? ? ? ? ? ? 120 MET A CE 1 -ATOM 2168 N N . ALA E 3 121 ? 23.259 52.145 9.311 1.00 20.50 ? ? ? ? ? ? 121 ALA A N 1 -ATOM 2169 C CA . ALA E 3 121 ? 24.121 50.970 9.204 1.00 18.62 ? ? ? ? ? ? 121 ALA A CA 1 -ATOM 2170 C C . ALA E 3 121 ? 24.156 50.560 7.731 1.00 18.96 ? ? ? ? ? ? 121 ALA A C 1 -ATOM 2171 O O . ALA E 3 121 ? 25.211 50.337 7.152 1.00 15.12 ? ? ? ? ? ? 121 ALA A O 1 -ATOM 2172 C CB . ALA E 3 121 ? 23.560 49.851 10.061 1.00 17.10 ? ? ? ? ? ? 121 ALA A CB 1 -ATOM 2173 N N . ARG E 3 122 ? 22.987 50.464 7.119 1.00 20.50 ? ? ? ? ? ? 122 ARG A N 1 -ATOM 2174 C CA . ARG E 3 122 ? 22.920 50.153 5.698 1.00 18.16 ? ? ? ? ? ? 122 ARG A CA 1 -ATOM 2175 C C . ARG E 3 122 ? 23.799 51.131 4.940 1.00 21.10 ? ? ? ? ? ? 122 ARG A C 1 -ATOM 2176 O O . ARG E 3 122 ? 24.712 50.739 4.200 1.00 27.08 ? ? ? ? ? ? 122 ARG A O 1 -ATOM 2177 C CB . ARG E 3 122 ? 21.519 50.315 5.131 1.00 26.23 ? ? ? ? ? ? 122 ARG A CB 1 -ATOM 2178 C CG . ARG E 3 122 ? 20.632 49.118 4.997 1.00 32.55 ? ? ? ? ? ? 122 ARG A CG 1 -ATOM 2179 C CD . ARG E 3 122 ? 21.245 48.032 4.128 1.00 36.45 ? ? ? ? ? ? 122 ARG A CD 1 -ATOM 2180 N NE . ARG E 3 122 ? 22.133 47.193 4.924 1.00 29.17 ? ? ? ? ? ? 122 ARG A NE 1 -ATOM 2181 C CZ . ARG E 3 122 ? 21.705 46.407 5.904 1.00 31.31 ? ? ? ? ? ? 122 ARG A CZ 1 -ATOM 2182 N NH1 . ARG E 3 122 ? 20.404 46.360 6.189 1.00 15.69 ? ? ? ? ? ? 122 ARG A NH1 1 -ATOM 2183 N NH2 . ARG E 3 122 ? 22.574 45.687 6.608 1.00 34.39 ? ? ? ? ? ? 122 ARG A NH2 1 -ATOM 2184 N N . ARG E 3 123 ? 23.537 52.422 5.137 1.00 13.99 ? ? ? ? ? ? 123 ARG A N 1 -ATOM 2185 C CA . ARG E 3 123 ? 24.270 53.428 4.383 1.00 6.00 ? ? ? ? ? ? 123 ARG A CA 1 -ATOM 2186 C C . ARG E 3 123 ? 25.763 53.258 4.407 1.00 6.00 ? ? ? ? ? ? 123 ARG A C 1 -ATOM 2187 O O . ARG E 3 123 ? 26.442 53.500 3.420 1.00 15.85 ? ? ? ? ? ? 123 ARG A O 1 -ATOM 2188 C CB . ARG E 3 123 ? 23.933 54.805 4.895 1.00 6.00 ? ? ? ? ? ? 123 ARG A CB 1 -ATOM 2189 C CG . ARG E 3 123 ? 22.506 55.089 4.676 1.00 6.00 ? ? ? ? ? ? 123 ARG A CG 1 -ATOM 2190 C CD . ARG E 3 123 ? 22.106 56.403 5.197 1.00 10.26 ? ? ? ? ? ? 123 ARG A CD 1 -ATOM 2191 N NE . ARG E 3 123 ? 20.651 56.496 5.193 1.00 13.27 ? ? ? ? ? ? 123 ARG A NE 1 -ATOM 2192 C CZ . ARG E 3 123 ? 20.015 57.592 5.590 1.00 13.62 ? ? ? ? ? ? 123 ARG A CZ 1 -ATOM 2193 N NH1 . ARG E 3 123 ? 20.722 58.637 6.011 1.00 14.69 ? ? ? ? ? ? 123 ARG A NH1 1 -ATOM 2194 N NH2 . ARG E 3 123 ? 18.689 57.658 5.531 1.00 16.88 ? ? ? ? ? ? 123 ARG A NH2 1 -ATOM 2195 N N . LEU E 3 124 ? 26.319 52.814 5.505 1.00 9.91 ? ? ? ? ? ? 124 LEU A N 1 -ATOM 2196 C CA . LEU E 3 124 ? 27.761 52.718 5.489 1.00 11.28 ? ? ? ? ? ? 124 LEU A CA 1 -ATOM 2197 C C . LEU E 3 124 ? 28.113 51.476 4.713 1.00 10.41 ? ? ? ? ? ? 124 LEU A C 1 -ATOM 2198 O O . LEU E 3 124 ? 29.233 51.355 4.194 1.00 16.33 ? ? ? ? ? ? 124 LEU A O 1 -ATOM 2199 C CB . LEU E 3 124 ? 28.307 52.645 6.931 1.00 6.34 ? ? ? ? ? ? 124 LEU A CB 1 -ATOM 2200 C CG . LEU E 3 124 ? 29.815 52.737 7.161 1.00 12.65 ? ? ? ? ? ? 124 LEU A CG 1 -ATOM 2201 C CD1 . LEU E 3 124 ? 30.422 54.077 6.678 1.00 6.00 ? ? ? ? ? ? 124 LEU A CD1 1 -ATOM 2202 C CD2 . LEU E 3 124 ? 30.005 52.537 8.664 1.00 16.00 ? ? ? ? ? ? 124 LEU A CD2 1 -ATOM 2203 N N . GLN E 3 125 ? 27.190 50.518 4.660 1.00 7.92 ? ? ? ? ? ? 125 GLN A N 1 -ATOM 2204 C CA . GLN E 3 125 ? 27.510 49.324 3.878 1.00 8.94 ? ? ? ? ? ? 125 GLN A CA 1 -ATOM 2205 C C . GLN E 3 125 ? 27.444 49.722 2.431 1.00 8.42 ? ? ? ? ? ? 125 GLN A C 1 -ATOM 2206 O O . GLN E 3 125 ? 28.398 49.513 1.683 1.00 17.44 ? ? ? ? ? ? 125 GLN A O 1 -ATOM 2207 C CB . GLN E 3 125 ? 26.517 48.203 4.105 1.00 15.87 ? ? ? ? ? ? 125 GLN A CB 1 -ATOM 2208 C CG . GLN E 3 125 ? 26.741 47.346 5.288 1.00 16.47 ? ? ? ? ? ? 125 GLN A CG 1 -ATOM 2209 C CD . GLN E 3 125 ? 25.516 46.564 5.541 1.00 15.39 ? ? ? ? ? ? 125 GLN A CD 1 -ATOM 2210 O OE1 . GLN E 3 125 ? 24.528 47.149 5.871 1.00 21.61 ? ? ? ? ? ? 125 GLN A OE1 1 -ATOM 2211 N NE2 . GLN E 3 125 ? 25.545 45.247 5.346 1.00 28.19 ? ? ? ? ? ? 125 GLN A NE2 1 -ATOM 2212 N N . VAL E 3 126 ? 26.347 50.346 2.042 1.00 6.00 ? ? ? ? ? ? 126 VAL A N 1 -ATOM 2213 C CA . VAL E 3 126 ? 26.253 50.702 0.670 1.00 6.00 ? ? ? ? ? ? 126 VAL A CA 1 -ATOM 2214 C C . VAL E 3 126 ? 27.383 51.622 0.227 1.00 8.10 ? ? ? ? ? ? 126 VAL A C 1 -ATOM 2215 O O . VAL E 3 126 ? 27.978 51.406 -0.846 1.00 17.67 ? ? ? ? ? ? 126 VAL A O 1 -ATOM 2216 C CB . VAL E 3 126 ? 24.928 51.357 0.416 1.00 6.00 ? ? ? ? ? ? 126 VAL A CB 1 -ATOM 2217 C CG1 . VAL E 3 126 ? 24.803 51.780 -1.051 1.00 13.12 ? ? ? ? ? ? 126 VAL A CG1 1 -ATOM 2218 C CG2 . VAL E 3 126 ? 23.849 50.360 0.749 1.00 7.74 ? ? ? ? ? ? 126 VAL A CG2 1 -ATOM 2219 N N . THR E 3 127 ? 27.721 52.604 1.052 1.00 6.00 ? ? ? ? ? ? 127 THR A N 1 -ATOM 2220 C CA . THR E 3 127 ? 28.733 53.532 0.690 1.00 6.00 ? ? ? ? ? ? 127 THR A CA 1 -ATOM 2221 C C . THR E 3 127 ? 30.055 52.911 0.657 1.00 6.00 ? ? ? ? ? ? 127 THR A C 1 -ATOM 2222 O O . THR E 3 127 ? 30.918 53.374 -0.087 1.00 13.11 ? ? ? ? ? ? 127 THR A O 1 -ATOM 2223 C CB . THR E 3 127 ? 28.745 54.701 1.657 1.00 11.39 ? ? ? ? ? ? 127 THR A CB 1 -ATOM 2224 O OG1 . THR E 3 127 ? 27.427 55.255 1.683 1.00 13.01 ? ? ? ? ? ? 127 THR A OG1 1 -ATOM 2225 C CG2 . THR E 3 127 ? 29.694 55.832 1.192 1.00 6.00 ? ? ? ? ? ? 127 THR A CG2 1 -ATOM 2226 N N . SER E 3 128 ? 30.259 51.878 1.462 1.00 12.31 ? ? ? ? ? ? 128 SER A N 1 -ATOM 2227 C CA . SER E 3 128 ? 31.563 51.178 1.477 1.00 14.09 ? ? ? ? ? ? 128 SER A CA 1 -ATOM 2228 C C . SER E 3 128 ? 31.762 50.427 0.187 1.00 10.53 ? ? ? ? ? ? 128 SER A C 1 -ATOM 2229 O O . SER E 3 128 ? 32.861 50.334 -0.308 1.00 6.00 ? ? ? ? ? ? 128 SER A O 1 -ATOM 2230 C CB . SER E 3 128 ? 31.655 50.170 2.631 1.00 10.98 ? ? ? ? ? ? 128 SER A CB 1 -ATOM 2231 O OG . SER E 3 128 ? 31.974 50.830 3.844 1.00 14.25 ? ? ? ? ? ? 128 SER A OG 1 -ATOM 2232 N N . GLU E 3 129 ? 30.650 49.883 -0.309 1.00 20.35 ? ? ? ? ? ? 129 GLU A N 1 -ATOM 2233 C CA . GLU E 3 129 ? 30.589 49.141 -1.543 1.00 23.84 ? ? ? ? ? ? 129 GLU A CA 1 -ATOM 2234 C C . GLU E 3 129 ? 30.949 50.110 -2.668 1.00 22.94 ? ? ? ? ? ? 129 GLU A C 1 -ATOM 2235 O O . GLU E 3 129 ? 31.856 49.806 -3.488 1.00 22.27 ? ? ? ? ? ? 129 GLU A O 1 -ATOM 2236 C CB . GLU E 3 129 ? 29.173 48.588 -1.726 1.00 23.35 ? ? ? ? ? ? 129 GLU A CB 1 -ATOM 2237 C CG . GLU E 3 129 ? 28.958 47.628 -2.886 1.00 25.33 ? ? ? ? ? ? 129 GLU A CG 1 -ATOM 2238 C CD . GLU E 3 129 ? 27.500 47.672 -3.411 1.00 40.56 ? ? ? ? ? ? 129 GLU A CD 1 -ATOM 2239 O OE1 . GLU E 3 129 ? 26.597 48.146 -2.682 1.00 38.47 ? ? ? ? ? ? 129 GLU A OE1 1 -ATOM 2240 O OE2 . GLU E 3 129 ? 27.238 47.256 -4.573 1.00 47.90 ? ? ? ? ? ? 129 GLU A OE2 1 -ATOM 2241 N N . LYS E 3 130 ? 30.272 51.270 -2.686 1.00 9.38 ? ? ? ? ? ? 130 LYS A N 1 -ATOM 2242 C CA . LYS E 3 130 ? 30.550 52.281 -3.708 1.00 7.04 ? ? ? ? ? ? 130 LYS A CA 1 -ATOM 2243 C C . LYS E 3 130 ? 32.003 52.608 -3.794 1.00 7.28 ? ? ? ? ? ? 130 LYS A C 1 -ATOM 2244 O O . LYS E 3 130 ? 32.503 52.849 -4.882 1.00 13.23 ? ? ? ? ? ? 130 LYS A O 1 -ATOM 2245 C CB . LYS E 3 130 ? 29.827 53.602 -3.455 1.00 8.63 ? ? ? ? ? ? 130 LYS A CB 1 -ATOM 2246 C CG . LYS E 3 130 ? 30.187 54.652 -4.516 1.00 12.81 ? ? ? ? ? ? 130 LYS A CG 1 -ATOM 2247 C CD . LYS E 3 130 ? 29.368 55.948 -4.450 1.00 16.18 ? ? ? ? ? ? 130 LYS A CD 1 -ATOM 2248 C CE . LYS E 3 130 ? 27.935 55.780 -4.926 1.00 12.95 ? ? ? ? ? ? 130 LYS A CE 1 -ATOM 2249 N NZ . LYS E 3 130 ? 27.781 56.616 -6.148 1.00 22.30 ? ? ? ? ? ? 130 LYS A NZ 1 -ATOM 2250 N N . VAL E 3 131 ? 32.684 52.656 -2.652 1.00 8.09 ? ? ? ? ? ? 131 VAL A N 1 -ATOM 2251 C CA . VAL E 3 131 ? 34.114 52.926 -2.690 1.00 7.49 ? ? ? ? ? ? 131 VAL A CA 1 -ATOM 2252 C C . VAL E 3 131 ? 34.848 51.662 -3.126 1.00 8.99 ? ? ? ? ? ? 131 VAL A C 1 -ATOM 2253 O O . VAL E 3 131 ? 36.014 51.685 -3.466 1.00 19.06 ? ? ? ? ? ? 131 VAL A O 1 -ATOM 2254 C CB . VAL E 3 131 ? 34.600 53.392 -1.305 1.00 6.00 ? ? ? ? ? ? 131 VAL A CB 1 -ATOM 2255 C CG1 . VAL E 3 131 ? 36.077 53.814 -1.366 1.00 6.00 ? ? ? ? ? ? 131 VAL A CG1 1 -ATOM 2256 C CG2 . VAL E 3 131 ? 33.742 54.559 -0.858 1.00 6.00 ? ? ? ? ? ? 131 VAL A CG2 1 -ATOM 2257 N N . GLY E 3 132 ? 34.178 50.519 -3.073 1.00 11.39 ? ? ? ? ? ? 132 GLY A N 1 -ATOM 2258 C CA . GLY E 3 132 ? 34.810 49.342 -3.623 1.00 6.63 ? ? ? ? ? ? 132 GLY A CA 1 -ATOM 2259 C C . GLY E 3 132 ? 34.719 49.479 -5.150 1.00 13.79 ? ? ? ? ? ? 132 GLY A C 1 -ATOM 2260 O O . GLY E 3 132 ? 35.727 49.433 -5.891 1.00 6.00 ? ? ? ? ? ? 132 GLY A O 1 -ATOM 2261 N N . ASN E 3 133 ? 33.493 49.698 -5.632 1.00 13.46 ? ? ? ? ? ? 133 ASN A N 1 -ATOM 2262 C CA . ASN E 3 133 ? 33.268 49.866 -7.061 1.00 15.82 ? ? ? ? ? ? 133 ASN A CA 1 -ATOM 2263 C C . ASN E 3 133 ? 34.171 50.944 -7.692 1.00 15.49 ? ? ? ? ? ? 133 ASN A C 1 -ATOM 2264 O O . ASN E 3 133 ? 34.839 50.661 -8.681 1.00 23.40 ? ? ? ? ? ? 133 ASN A O 1 -ATOM 2265 C CB . ASN E 3 133 ? 31.793 50.185 -7.281 1.00 16.61 ? ? ? ? ? ? 133 ASN A CB 1 -ATOM 2266 C CG . ASN E 3 133 ? 30.907 49.006 -6.889 1.00 28.00 ? ? ? ? ? ? 133 ASN A CG 1 -ATOM 2267 O OD1 . ASN E 3 133 ? 31.415 47.957 -6.479 1.00 32.39 ? ? ? ? ? ? 133 ASN A OD1 1 -ATOM 2268 N ND2 . ASN E 3 133 ? 29.592 49.165 -7.004 1.00 21.42 ? ? ? ? ? ? 133 ASN A ND2 1 -ATOM 2269 N N . LEU E 3 134 ? 34.261 52.142 -7.130 1.00 14.32 ? ? ? ? ? ? 134 LEU A N 1 -ATOM 2270 C CA . LEU E 3 134 ? 35.111 53.170 -7.727 1.00 6.00 ? ? ? ? ? ? 134 LEU A CA 1 -ATOM 2271 C C . LEU E 3 134 ? 36.531 52.736 -7.784 1.00 6.00 ? ? ? ? ? ? 134 LEU A C 1 -ATOM 2272 O O . LEU E 3 134 ? 37.214 52.973 -8.747 1.00 6.00 ? ? ? ? ? ? 134 LEU A O 1 -ATOM 2273 C CB . LEU E 3 134 ? 35.015 54.456 -6.923 1.00 6.52 ? ? ? ? ? ? 134 LEU A CB 1 -ATOM 2274 C CG . LEU E 3 134 ? 33.641 55.101 -7.002 1.00 6.00 ? ? ? ? ? ? 134 LEU A CG 1 -ATOM 2275 C CD1 . LEU E 3 134 ? 33.357 56.084 -5.916 1.00 6.00 ? ? ? ? ? ? 134 LEU A CD1 1 -ATOM 2276 C CD2 . LEU E 3 134 ? 33.643 55.812 -8.335 1.00 8.39 ? ? ? ? ? ? 134 LEU A CD2 1 -ATOM 2277 N N . ALA E 3 135 ? 36.988 52.081 -6.744 1.00 6.00 ? ? ? ? ? ? 135 ALA A N 1 -ATOM 2278 C CA . ALA E 3 135 ? 38.371 51.661 -6.713 1.00 7.49 ? ? ? ? ? ? 135 ALA A CA 1 -ATOM 2279 C C . ALA E 3 135 ? 38.695 50.369 -7.487 1.00 13.28 ? ? ? ? ? ? 135 ALA A C 1 -ATOM 2280 O O . ALA E 3 135 ? 39.851 50.177 -7.925 1.00 10.07 ? ? ? ? ? ? 135 ALA A O 1 -ATOM 2281 C CB . ALA E 3 135 ? 38.788 51.493 -5.287 1.00 8.22 ? ? ? ? ? ? 135 ALA A CB 1 -ATOM 2282 N N . PHE E 3 136 ? 37.733 49.463 -7.644 1.00 11.22 ? ? ? ? ? ? 136 PHE A N 1 -ATOM 2283 C CA . PHE E 3 136 ? 38.050 48.207 -8.336 1.00 12.27 ? ? ? ? ? ? 136 PHE A CA 1 -ATOM 2284 C C . PHE E 3 136 ? 37.510 48.069 -9.758 1.00 18.15 ? ? ? ? ? ? 136 PHE A C 1 -ATOM 2285 O O . PHE E 3 136 ? 38.240 47.615 -10.625 1.00 20.61 ? ? ? ? ? ? 136 PHE A O 1 -ATOM 2286 C CB . PHE E 3 136 ? 37.527 47.002 -7.554 1.00 15.98 ? ? ? ? ? ? 136 PHE A CB 1 -ATOM 2287 C CG . PHE E 3 136 ? 38.115 46.833 -6.169 1.00 9.70 ? ? ? ? ? ? 136 PHE A CG 1 -ATOM 2288 C CD1 . PHE E 3 136 ? 39.408 47.235 -5.890 1.00 6.00 ? ? ? ? ? ? 136 PHE A CD1 1 -ATOM 2289 C CD2 . PHE E 3 136 ? 37.351 46.237 -5.170 1.00 8.62 ? ? ? ? ? ? 136 PHE A CD2 1 -ATOM 2290 C CE1 . PHE E 3 136 ? 39.936 47.057 -4.674 1.00 10.48 ? ? ? ? ? ? 136 PHE A CE1 1 -ATOM 2291 C CE2 . PHE E 3 136 ? 37.867 46.050 -3.940 1.00 15.19 ? ? ? ? ? ? 136 PHE A CE2 1 -ATOM 2292 C CZ . PHE E 3 136 ? 39.170 46.463 -3.679 1.00 7.26 ? ? ? ? ? ? 136 PHE A CZ 1 -ATOM 2293 N N . LEU E 3 137 ? 36.246 48.412 -10.001 1.00 14.88 ? ? ? ? ? ? 137 LEU A N 1 -ATOM 2294 C CA . LEU E 3 137 ? 35.623 48.245 -11.330 1.00 14.02 ? ? ? ? ? ? 137 LEU A CA 1 -ATOM 2295 C C . LEU E 3 137 ? 36.005 49.277 -12.358 1.00 16.69 ? ? ? ? ? ? 137 LEU A C 1 -ATOM 2296 O O . LEU E 3 137 ? 36.425 50.377 -12.007 1.00 18.42 ? ? ? ? ? ? 137 LEU A O 1 -ATOM 2297 C CB . LEU E 3 137 ? 34.095 48.285 -11.246 1.00 13.92 ? ? ? ? ? ? 137 LEU A CB 1 -ATOM 2298 C CG . LEU E 3 137 ? 33.285 46.992 -11.118 1.00 18.52 ? ? ? ? ? ? 137 LEU A CG 1 -ATOM 2299 C CD1 . LEU E 3 137 ? 34.235 45.819 -11.204 1.00 13.90 ? ? ? ? ? ? 137 LEU A CD1 1 -ATOM 2300 C CD2 . LEU E 3 137 ? 32.528 46.974 -9.862 1.00 10.79 ? ? ? ? ? ? 137 LEU A CD2 1 -ATOM 2301 N N . ASP E 3 138 ? 35.892 48.909 -13.638 1.00 18.47 ? ? ? ? ? ? 138 ASP A N 1 -ATOM 2302 C CA . ASP E 3 138 ? 36.075 49.900 -14.701 1.00 20.43 ? ? ? ? ? ? 138 ASP A CA 1 -ATOM 2303 C C . ASP E 3 138 ? 34.683 50.375 -15.058 1.00 15.80 ? ? ? ? ? ? 138 ASP A C 1 -ATOM 2304 O O . ASP E 3 138 ? 33.692 49.779 -14.642 1.00 21.43 ? ? ? ? ? ? 138 ASP A O 1 -ATOM 2305 C CB . ASP E 3 138 ? 36.789 49.316 -15.979 1.00 24.22 ? ? ? ? ? ? 138 ASP A CB 1 -ATOM 2306 C CG . ASP E 3 138 ? 36.089 48.116 -16.621 1.00 26.66 ? ? ? ? ? ? 138 ASP A CG 1 -ATOM 2307 O OD1 . ASP E 3 138 ? 34.874 47.871 -16.389 1.00 28.12 ? ? ? ? ? ? 138 ASP A OD1 1 -ATOM 2308 O OD2 . ASP E 3 138 ? 36.802 47.410 -17.380 1.00 19.30 ? ? ? ? ? ? 138 ASP A OD2 1 -ATOM 2309 N N . VAL E 3 139 ? 34.597 51.415 -15.863 1.00 11.09 ? ? ? ? ? ? 139 VAL A N 1 -ATOM 2310 C CA . VAL E 3 139 ? 33.297 51.997 -16.168 1.00 10.60 ? ? ? ? ? ? 139 VAL A CA 1 -ATOM 2311 C C . VAL E 3 139 ? 32.211 50.990 -16.565 1.00 8.76 ? ? ? ? ? ? 139 VAL A C 1 -ATOM 2312 O O . VAL E 3 139 ? 31.141 50.991 -15.947 1.00 19.97 ? ? ? ? ? ? 139 VAL A O 1 -ATOM 2313 C CB . VAL E 3 139 ? 33.421 53.060 -17.306 1.00 23.65 ? ? ? ? ? ? 139 VAL A CB 1 -ATOM 2314 C CG1 . VAL E 3 139 ? 32.126 53.838 -17.415 1.00 27.54 ? ? ? ? ? ? 139 VAL A CG1 1 -ATOM 2315 C CG2 . VAL E 3 139 ? 34.571 54.013 -17.013 1.00 27.60 ? ? ? ? ? ? 139 VAL A CG2 1 -ATOM 2316 N N . THR E 3 140 ? 32.412 50.135 -17.554 1.00 6.90 ? ? ? ? ? ? 140 THR A N 1 -ATOM 2317 C CA . THR E 3 140 ? 31.315 49.225 -17.879 1.00 6.00 ? ? ? ? ? ? 140 THR A CA 1 -ATOM 2318 C C . THR E 3 140 ? 30.966 48.455 -16.624 1.00 6.00 ? ? ? ? ? ? 140 THR A C 1 -ATOM 2319 O O . THR E 3 140 ? 29.806 48.228 -16.340 1.00 11.30 ? ? ? ? ? ? 140 THR A O 1 -ATOM 2320 C CB . THR E 3 140 ? 31.727 48.261 -19.009 1.00 9.97 ? ? ? ? ? ? 140 THR A CB 1 -ATOM 2321 O OG1 . THR E 3 140 ? 32.537 48.964 -19.966 1.00 14.22 ? ? ? ? ? ? 140 THR A OG1 1 -ATOM 2322 C CG2 . THR E 3 140 ? 30.481 47.773 -19.787 1.00 8.92 ? ? ? ? ? ? 140 THR A CG2 1 -ATOM 2323 N N . GLY E 3 141 ? 31.974 48.094 -15.842 1.00 6.00 ? ? ? ? ? ? 141 GLY A N 1 -ATOM 2324 C CA . GLY E 3 141 ? 31.715 47.429 -14.582 1.00 6.00 ? ? ? ? ? ? 141 GLY A CA 1 -ATOM 2325 C C . GLY E 3 141 ? 30.776 48.280 -13.774 1.00 6.00 ? ? ? ? ? ? 141 GLY A C 1 -ATOM 2326 O O . GLY E 3 141 ? 29.593 47.947 -13.632 1.00 6.00 ? ? ? ? ? ? 141 GLY A O 1 -ATOM 2327 N N . ARG E 3 142 ? 31.269 49.410 -13.275 1.00 8.33 ? ? ? ? ? ? 142 ARG A N 1 -ATOM 2328 C CA . ARG E 3 142 ? 30.418 50.321 -12.491 1.00 8.67 ? ? ? ? ? ? 142 ARG A CA 1 -ATOM 2329 C C . ARG E 3 142 ? 29.060 50.640 -13.185 1.00 14.33 ? ? ? ? ? ? 142 ARG A C 1 -ATOM 2330 O O . ARG E 3 142 ? 28.063 50.771 -12.491 1.00 24.43 ? ? ? ? ? ? 142 ARG A O 1 -ATOM 2331 C CB . ARG E 3 142 ? 31.098 51.673 -12.239 1.00 14.77 ? ? ? ? ? ? 142 ARG A CB 1 -ATOM 2332 C CG . ARG E 3 142 ? 32.577 51.727 -11.785 1.00 15.47 ? ? ? ? ? ? 142 ARG A CG 1 -ATOM 2333 C CD . ARG E 3 142 ? 32.890 53.245 -11.747 1.00 12.12 ? ? ? ? ? ? 142 ARG A CD 1 -ATOM 2334 N NE . ARG E 3 142 ? 34.264 53.647 -12.052 1.00 17.85 ? ? ? ? ? ? 142 ARG A NE 1 -ATOM 2335 C CZ . ARG E 3 142 ? 34.586 54.785 -12.682 1.00 28.81 ? ? ? ? ? ? 142 ARG A CZ 1 -ATOM 2336 N NH1 . ARG E 3 142 ? 33.637 55.641 -13.081 1.00 17.92 ? ? ? ? ? ? 142 ARG A NH1 1 -ATOM 2337 N NH2 . ARG E 3 142 ? 35.862 55.074 -12.932 1.00 30.01 ? ? ? ? ? ? 142 ARG A NH2 1 -ATOM 2338 N N . ILE E 3 143 ? 28.963 50.798 -14.504 1.00 9.10 ? ? ? ? ? ? 143 ILE A N 1 -ATOM 2339 C CA . ILE E 3 143 ? 27.638 51.093 -15.077 1.00 13.32 ? ? ? ? ? ? 143 ILE A CA 1 -ATOM 2340 C C . ILE E 3 143 ? 26.683 49.885 -15.028 1.00 9.08 ? ? ? ? ? ? 143 ILE A C 1 -ATOM 2341 O O . ILE E 3 143 ? 25.474 50.048 -14.825 1.00 9.51 ? ? ? ? ? ? 143 ILE A O 1 -ATOM 2342 C CB . ILE E 3 143 ? 27.719 51.531 -16.546 1.00 7.25 ? ? ? ? ? ? 143 ILE A CB 1 -ATOM 2343 C CG1 . ILE E 3 143 ? 28.510 52.823 -16.666 1.00 11.11 ? ? ? ? ? ? 143 ILE A CG1 1 -ATOM 2344 C CG2 . ILE E 3 143 ? 26.347 51.820 -17.057 1.00 6.00 ? ? ? ? ? ? 143 ILE A CG2 1 -ATOM 2345 C CD1 . ILE E 3 143 ? 28.858 53.219 -18.070 1.00 9.93 ? ? ? ? ? ? 143 ILE A CD1 1 -ATOM 2346 N N . ALA E 3 144 ? 27.199 48.677 -15.211 1.00 16.00 ? ? ? ? ? ? 144 ALA A N 1 -ATOM 2347 C CA . ALA E 3 144 ? 26.341 47.473 -15.131 1.00 18.20 ? ? ? ? ? ? 144 ALA A CA 1 -ATOM 2348 C C . ALA E 3 144 ? 25.727 47.342 -13.740 1.00 17.06 ? ? ? ? ? ? 144 ALA A C 1 -ATOM 2349 O O . ALA E 3 144 ? 24.539 47.038 -13.595 1.00 6.15 ? ? ? ? ? ? 144 ALA A O 1 -ATOM 2350 C CB . ALA E 3 144 ? 27.159 46.196 -15.427 1.00 6.00 ? ? ? ? ? ? 144 ALA A CB 1 -ATOM 2351 N N . GLN E 3 145 ? 26.591 47.540 -12.736 1.00 23.10 ? ? ? ? ? ? 145 GLN A N 1 -ATOM 2352 C CA . GLN E 3 145 ? 26.270 47.467 -11.307 1.00 18.67 ? ? ? ? ? ? 145 GLN A CA 1 -ATOM 2353 C C . GLN E 3 145 ? 25.226 48.538 -10.963 1.00 21.12 ? ? ? ? ? ? 145 GLN A C 1 -ATOM 2354 O O . GLN E 3 145 ? 24.215 48.214 -10.337 1.00 28.84 ? ? ? ? ? ? 145 GLN A O 1 -ATOM 2355 C CB . GLN E 3 145 ? 27.546 47.684 -10.501 1.00 21.31 ? ? ? ? ? ? 145 GLN A CB 1 -ATOM 2356 C CG . GLN E 3 145 ? 27.602 47.047 -9.123 1.00 33.02 ? ? ? ? ? ? 145 GLN A CG 1 -ATOM 2357 C CD . GLN E 3 145 ? 27.873 45.537 -9.172 1.00 45.71 ? ? ? ? ? ? 145 GLN A CD 1 -ATOM 2358 O OE1 . GLN E 3 145 ? 28.954 45.073 -9.599 1.00 34.24 ? ? ? ? ? ? 145 GLN A OE1 1 -ATOM 2359 N NE2 . GLN E 3 145 ? 26.888 44.761 -8.726 1.00 43.32 ? ? ? ? ? ? 145 GLN A NE2 1 -ATOM 2360 N N . THR E 3 146 ? 25.450 49.793 -11.370 1.00 14.14 ? ? ? ? ? ? 146 THR A N 1 -ATOM 2361 C CA . THR E 3 146 ? 24.469 50.865 -11.143 1.00 9.07 ? ? ? ? ? ? 146 THR A CA 1 -ATOM 2362 C C . THR E 3 146 ? 23.115 50.371 -11.656 1.00 8.49 ? ? ? ? ? ? 146 THR A C 1 -ATOM 2363 O O . THR E 3 146 ? 22.087 50.515 -10.993 1.00 7.65 ? ? ? ? ? ? 146 THR A O 1 -ATOM 2364 C CB . THR E 3 146 ? 24.770 52.174 -11.927 1.00 8.96 ? ? ? ? ? ? 146 THR A CB 1 -ATOM 2365 O OG1 . THR E 3 146 ? 26.026 52.756 -11.558 1.00 6.00 ? ? ? ? ? ? 146 THR A OG1 1 -ATOM 2366 C CG2 . THR E 3 146 ? 23.716 53.151 -11.619 1.00 16.60 ? ? ? ? ? ? 146 THR A CG2 1 -ATOM 2367 N N . LEU E 3 147 ? 23.125 49.787 -12.849 1.00 13.20 ? ? ? ? ? ? 147 LEU A N 1 -ATOM 2368 C CA . LEU E 3 147 ? 21.901 49.257 -13.455 1.00 17.02 ? ? ? ? ? ? 147 LEU A CA 1 -ATOM 2369 C C . LEU E 3 147 ? 21.290 48.048 -12.687 1.00 15.91 ? ? ? ? ? ? 147 LEU A C 1 -ATOM 2370 O O . LEU E 3 147 ? 20.046 47.900 -12.646 1.00 10.13 ? ? ? ? ? ? 147 LEU A O 1 -ATOM 2371 C CB . LEU E 3 147 ? 22.231 48.902 -14.895 1.00 13.49 ? ? ? ? ? ? 147 LEU A CB 1 -ATOM 2372 C CG . LEU E 3 147 ? 21.718 49.766 -16.043 1.00 12.52 ? ? ? ? ? ? 147 LEU A CG 1 -ATOM 2373 C CD1 . LEU E 3 147 ? 21.682 51.205 -15.746 1.00 13.58 ? ? ? ? ? ? 147 LEU A CD1 1 -ATOM 2374 C CD2 . LEU E 3 147 ? 22.642 49.481 -17.183 1.00 16.72 ? ? ? ? ? ? 147 LEU A CD2 1 -ATOM 2375 N N . LEU E 3 148 ? 22.136 47.188 -12.108 1.00 13.52 ? ? ? ? ? ? 148 LEU A N 1 -ATOM 2376 C CA . LEU E 3 148 ? 21.672 46.093 -11.237 1.00 12.77 ? ? ? ? ? ? 148 LEU A CA 1 -ATOM 2377 C C . LEU E 3 148 ? 20.957 46.716 -10.029 1.00 9.33 ? ? ? ? ? ? 148 LEU A C 1 -ATOM 2378 O O . LEU E 3 148 ? 19.821 46.363 -9.705 1.00 20.82 ? ? ? ? ? ? 148 LEU A O 1 -ATOM 2379 C CB . LEU E 3 148 ? 22.859 45.255 -10.757 1.00 11.31 ? ? ? ? ? ? 148 LEU A CB 1 -ATOM 2380 C CG . LEU E 3 148 ? 23.119 43.965 -11.554 1.00 16.51 ? ? ? ? ? ? 148 LEU A CG 1 -ATOM 2381 C CD1 . LEU E 3 148 ? 22.838 44.243 -13.038 1.00 18.44 ? ? ? ? ? ? 148 LEU A CD1 1 -ATOM 2382 C CD2 . LEU E 3 148 ? 24.571 43.473 -11.311 1.00 6.00 ? ? ? ? ? ? 148 LEU A CD2 1 -ATOM 2383 N N . ASN E 3 149 ? 21.613 47.675 -9.387 1.00 12.17 ? ? ? ? ? ? 149 ASN A N 1 -ATOM 2384 C CA . ASN E 3 149 ? 21.030 48.421 -8.256 1.00 15.27 ? ? ? ? ? ? 149 ASN A CA 1 -ATOM 2385 C C . ASN E 3 149 ? 19.686 49.181 -8.610 1.00 15.38 ? ? ? ? ? ? 149 ASN A C 1 -ATOM 2386 O O . ASN E 3 149 ? 18.649 48.909 -7.995 1.00 24.01 ? ? ? ? ? ? 149 ASN A O 1 -ATOM 2387 C CB . ASN E 3 149 ? 22.006 49.486 -7.725 1.00 20.01 ? ? ? ? ? ? 149 ASN A CB 1 -ATOM 2388 C CG . ASN E 3 149 ? 23.327 48.925 -7.208 1.00 31.03 ? ? ? ? ? ? 149 ASN A CG 1 -ATOM 2389 O OD1 . ASN E 3 149 ? 23.435 47.759 -6.833 1.00 28.47 ? ? ? ? ? ? 149 ASN A OD1 1 -ATOM 2390 N ND2 . ASN E 3 149 ? 24.351 49.781 -7.180 1.00 21.92 ? ? ? ? ? ? 149 ASN A ND2 1 -ATOM 2391 N N . LEU E 3 150 ? 19.669 50.091 -9.597 1.00 14.50 ? ? ? ? ? ? 150 LEU A N 1 -ATOM 2392 C CA . LEU E 3 150 ? 18.467 50.916 -9.836 1.00 16.03 ? ? ? ? ? ? 150 LEU A CA 1 -ATOM 2393 C C . LEU E 3 150 ? 17.331 50.046 -10.313 1.00 17.72 ? ? ? ? ? ? 150 LEU A C 1 -ATOM 2394 O O . LEU E 3 150 ? 16.128 50.367 -10.134 1.00 14.96 ? ? ? ? ? ? 150 LEU A O 1 -ATOM 2395 C CB . LEU E 3 150 ? 18.674 52.014 -10.919 1.00 13.33 ? ? ? ? ? ? 150 LEU A CB 1 -ATOM 2396 C CG . LEU E 3 150 ? 19.932 52.906 -10.985 1.00 21.26 ? ? ? ? ? ? 150 LEU A CG 1 -ATOM 2397 C CD1 . LEU E 3 150 ? 19.700 53.854 -12.196 1.00 9.10 ? ? ? ? ? ? 150 LEU A CD1 1 -ATOM 2398 C CD2 . LEU E 3 150 ? 20.161 53.729 -9.728 1.00 22.84 ? ? ? ? ? ? 150 LEU A CD2 1 -ATOM 2399 N N . ALA E 3 151 ? 17.713 48.954 -10.969 1.00 23.61 ? ? ? ? ? ? 151 ALA A N 1 -ATOM 2400 C CA . ALA E 3 151 ? 16.698 48.047 -11.455 1.00 28.38 ? ? ? ? ? ? 151 ALA A CA 1 -ATOM 2401 C C . ALA E 3 151 ? 15.988 47.598 -10.199 1.00 26.24 ? ? ? ? ? ? 151 ALA A C 1 -ATOM 2402 O O . ALA E 3 151 ? 14.784 47.459 -10.219 1.00 31.44 ? ? ? ? ? ? 151 ALA A O 1 -ATOM 2403 C CB . ALA E 3 151 ? 17.352 46.835 -12.232 1.00 14.51 ? ? ? ? ? ? 151 ALA A CB 1 -ATOM 2404 N N . LYS E 3 152 ? 16.765 47.445 -9.116 1.00 30.18 ? ? ? ? ? ? 152 LYS A N 1 -ATOM 2405 C CA . LYS E 3 152 ? 16.331 47.036 -7.767 1.00 30.07 ? ? ? ? ? ? 152 LYS A CA 1 -ATOM 2406 C C . LYS E 3 152 ? 15.688 48.124 -6.893 1.00 30.25 ? ? ? ? ? ? 152 LYS A C 1 -ATOM 2407 O O . LYS E 3 152 ? 15.044 47.825 -5.885 1.00 27.85 ? ? ? ? ? ? 152 LYS A O 1 -ATOM 2408 C CB . LYS E 3 152 ? 17.525 46.454 -6.989 1.00 24.86 ? ? ? ? ? ? 152 LYS A CB 1 -ATOM 2409 C CG . LYS E 3 152 ? 17.171 46.071 -5.542 1.00 44.06 ? ? ? ? ? ? 152 LYS A CG 1 -ATOM 2410 C CD . LYS E 3 152 ? 17.858 44.767 -5.062 1.00 51.19 ? ? ? ? ? ? 152 LYS A CD 1 -ATOM 2411 C CE . LYS E 3 152 ? 17.170 44.156 -3.808 1.00 43.95 ? ? ? ? ? ? 152 LYS A CE 1 -ATOM 2412 N NZ . LYS E 3 152 ? 17.643 42.742 -3.588 1.00 33.99 ? ? ? ? ? ? 152 LYS A NZ 1 -ATOM 2413 N N . GLN E 3 153 ? 15.851 49.388 -7.228 1.00 31.71 ? ? ? ? ? ? 153 GLN A N 1 -ATOM 2414 C CA . GLN E 3 153 ? 15.254 50.417 -6.382 1.00 32.74 ? ? ? ? ? ? 153 GLN A CA 1 -ATOM 2415 C C . GLN E 3 153 ? 13.736 50.301 -6.292 1.00 33.60 ? ? ? ? ? ? 153 GLN A C 1 -ATOM 2416 O O . GLN E 3 153 ? 13.156 49.477 -6.977 1.00 30.37 ? ? ? ? ? ? 153 GLN A O 1 -ATOM 2417 C CB . GLN E 3 153 ? 15.621 51.804 -6.912 1.00 35.66 ? ? ? ? ? ? 153 GLN A CB 1 -ATOM 2418 C CG . GLN E 3 153 ? 16.853 52.369 -6.243 1.00 31.76 ? ? ? ? ? ? 153 GLN A CG 1 -ATOM 2419 C CD . GLN E 3 153 ? 16.565 53.664 -5.498 1.00 24.89 ? ? ? ? ? ? 153 GLN A CD 1 -ATOM 2420 O OE1 . GLN E 3 153 ? 15.467 54.219 -5.549 1.00 26.83 ? ? ? ? ? ? 153 GLN A OE1 1 -ATOM 2421 N NE2 . GLN E 3 153 ? 17.564 54.154 -4.810 1.00 28.09 ? ? ? ? ? ? 153 GLN A NE2 1 -ATOM 2422 N N . PRO E 3 154 ? 13.095 51.092 -5.396 1.00 33.92 ? ? ? ? ? ? 154 PRO A N 1 -ATOM 2423 C CA . PRO E 3 154 ? 11.671 51.387 -5.229 1.00 29.65 ? ? ? ? ? ? 154 PRO A CA 1 -ATOM 2424 C C . PRO E 3 154 ? 11.008 52.117 -6.387 1.00 29.84 ? ? ? ? ? ? 154 PRO A C 1 -ATOM 2425 O O . PRO E 3 154 ? 9.803 52.012 -6.542 1.00 33.82 ? ? ? ? ? ? 154 PRO A O 1 -ATOM 2426 C CB . PRO E 3 154 ? 11.627 52.170 -3.918 1.00 29.58 ? ? ? ? ? ? 154 PRO A CB 1 -ATOM 2427 C CG . PRO E 3 154 ? 12.696 51.506 -3.145 1.00 30.55 ? ? ? ? ? ? 154 PRO A CG 1 -ATOM 2428 C CD . PRO E 3 154 ? 13.790 51.602 -4.181 1.00 32.15 ? ? ? ? ? ? 154 PRO A CD 1 -ATOM 2429 N N . ASP E 3 155 ? 11.743 52.894 -7.172 1.00 36.54 ? ? ? ? ? ? 155 ASP A N 1 -ATOM 2430 C CA . ASP E 3 155 ? 11.108 53.607 -8.278 1.00 39.41 ? ? ? ? ? ? 155 ASP A CA 1 -ATOM 2431 C C . ASP E 3 155 ? 11.312 52.905 -9.594 1.00 44.65 ? ? ? ? ? ? 155 ASP A C 1 -ATOM 2432 O O . ASP E 3 155 ? 11.794 53.532 -10.532 1.00 55.00 ? ? ? ? ? ? 155 ASP A O 1 -ATOM 2433 C CB . ASP E 3 155 ? 11.651 55.057 -8.394 1.00 35.23 ? ? ? ? ? ? 155 ASP A CB 1 -ATOM 2434 C CG . ASP E 3 155 ? 13.199 55.157 -8.440 1.00 45.04 ? ? ? ? ? ? 155 ASP A CG 1 -ATOM 2435 O OD1 . ASP E 3 155 ? 13.799 55.325 -9.534 1.00 49.19 ? ? ? ? ? ? 155 ASP A OD1 1 -ATOM 2436 O OD2 . ASP E 3 155 ? 13.836 55.108 -7.363 1.00 54.84 ? ? ? ? ? ? 155 ASP A OD2 1 -ATOM 2437 N N . ALA E 3 156 ? 10.932 51.633 -9.698 1.00 41.20 ? ? ? ? ? ? 156 ALA A N 1 -ATOM 2438 C CA . ALA E 3 156 ? 11.144 50.906 -10.952 1.00 33.19 ? ? ? ? ? ? 156 ALA A CA 1 -ATOM 2439 C C . ALA E 3 156 ? 9.897 50.144 -11.417 1.00 36.82 ? ? ? ? ? ? 156 ALA A C 1 -ATOM 2440 O O . ALA E 3 156 ? 9.431 49.203 -10.750 1.00 32.92 ? ? ? ? ? ? 156 ALA A O 1 -ATOM 2441 C CB . ALA E 3 156 ? 12.297 49.952 -10.765 1.00 33.34 ? ? ? ? ? ? 156 ALA A CB 1 -ATOM 2442 N N . MET E 3 157 ? 9.358 50.572 -12.569 1.00 41.66 ? ? ? ? ? ? 157 MET A N 1 -ATOM 2443 C CA . MET E 3 157 ? 8.133 50.009 -13.170 1.00 40.32 ? ? ? ? ? ? 157 MET A CA 1 -ATOM 2444 C C . MET E 3 157 ? 8.401 48.578 -13.624 1.00 39.27 ? ? ? ? ? ? 157 MET A C 1 -ATOM 2445 O O . MET E 3 157 ? 9.527 48.197 -13.989 1.00 32.56 ? ? ? ? ? ? 157 MET A O 1 -ATOM 2446 C CB . MET E 3 157 ? 7.686 50.841 -14.392 1.00 42.76 ? ? ? ? ? ? 157 MET A CB 1 -ATOM 2447 C CG . MET E 3 157 ? 7.654 52.369 -14.203 1.00 49.14 ? ? ? ? ? ? 157 MET A CG 1 -ATOM 2448 S SD . MET E 3 157 ? 9.253 53.227 -13.703 1.00 55.00 ? ? ? ? ? ? 157 MET A SD 1 -ATOM 2449 C CE . MET E 3 157 ? 10.081 53.570 -15.281 1.00 48.56 ? ? ? ? ? ? 157 MET A CE 1 -ATOM 2450 N N . THR E 3 158 ? 7.368 47.763 -13.602 1.00 39.62 ? ? ? ? ? ? 158 THR A N 1 -ATOM 2451 C CA . THR E 3 158 ? 7.580 46.393 -14.006 1.00 39.36 ? ? ? ? ? ? 158 THR A CA 1 -ATOM 2452 C C . THR E 3 158 ? 7.528 46.378 -15.523 1.00 40.49 ? ? ? ? ? ? 158 THR A C 1 -ATOM 2453 O O . THR E 3 158 ? 6.862 47.235 -16.122 1.00 36.16 ? ? ? ? ? ? 158 THR A O 1 -ATOM 2454 C CB . THR E 3 158 ? 6.476 45.490 -13.373 1.00 44.49 ? ? ? ? ? ? 158 THR A CB 1 -ATOM 2455 O OG1 . THR E 3 158 ? 6.953 44.144 -13.317 1.00 51.36 ? ? ? ? ? ? 158 THR A OG1 1 -ATOM 2456 C CG2 . THR E 3 158 ? 5.173 45.534 -14.194 1.00 41.81 ? ? ? ? ? ? 158 THR A CG2 1 -ATOM 2457 N N . HIS E 3 159 ? 8.253 45.437 -16.127 1.00 42.96 ? ? ? ? ? ? 159 HIS A N 1 -ATOM 2458 C CA . HIS E 3 159 ? 8.304 45.249 -17.589 1.00 48.59 ? ? ? ? ? ? 159 HIS A CA 1 -ATOM 2459 C C . HIS E 3 159 ? 8.278 43.738 -17.818 1.00 49.13 ? ? ? ? ? ? 159 HIS A C 1 -ATOM 2460 O O . HIS E 3 159 ? 8.929 43.018 -17.059 1.00 50.14 ? ? ? ? ? ? 159 HIS A O 1 -ATOM 2461 C CB . HIS E 3 159 ? 9.610 45.841 -18.175 1.00 46.54 ? ? ? ? ? ? 159 HIS A CB 1 -ATOM 2462 C CG . HIS E 3 159 ? 9.583 46.039 -19.665 1.00 46.42 ? ? ? ? ? ? 159 HIS A CG 1 -ATOM 2463 N ND1 . HIS E 3 159 ? 9.799 45.015 -20.563 1.00 46.94 ? ? ? ? ? ? 159 HIS A ND1 1 -ATOM 2464 C CD2 . HIS E 3 159 ? 9.355 47.150 -20.409 1.00 48.30 ? ? ? ? ? ? 159 HIS A CD2 1 -ATOM 2465 C CE1 . HIS E 3 159 ? 9.704 45.486 -21.797 1.00 46.22 ? ? ? ? ? ? 159 HIS A CE1 1 -ATOM 2466 N NE2 . HIS E 3 159 ? 9.436 46.778 -21.731 1.00 43.60 ? ? ? ? ? ? 159 HIS A NE2 1 -ATOM 2467 N N . PRO E 3 160 ? 7.556 43.235 -18.860 1.00 53.19 ? ? ? ? ? ? 160 PRO A N 1 -ATOM 2468 C CA . PRO E 3 160 ? 7.371 41.790 -19.096 1.00 50.53 ? ? ? ? ? ? 160 PRO A CA 1 -ATOM 2469 C C . PRO E 3 160 ? 8.668 41.047 -18.814 1.00 51.69 ? ? ? ? ? ? 160 PRO A C 1 -ATOM 2470 O O . PRO E 3 160 ? 8.765 40.152 -17.962 1.00 51.73 ? ? ? ? ? ? 160 PRO A O 1 -ATOM 2471 C CB . PRO E 3 160 ? 6.896 41.746 -20.546 1.00 44.13 ? ? ? ? ? ? 160 PRO A CB 1 -ATOM 2472 C CG . PRO E 3 160 ? 7.443 43.047 -21.118 1.00 48.96 ? ? ? ? ? ? 160 PRO A CG 1 -ATOM 2473 C CD . PRO E 3 160 ? 6.998 43.964 -20.022 1.00 53.47 ? ? ? ? ? ? 160 PRO A CD 1 -ATOM 2474 N N . ASP E 3 161 ? 9.671 41.470 -19.554 1.00 48.49 ? ? ? ? ? ? 161 ASP A N 1 -ATOM 2475 C CA . ASP E 3 161 ? 11.005 40.991 -19.361 1.00 45.43 ? ? ? ? ? ? 161 ASP A CA 1 -ATOM 2476 C C . ASP E 3 161 ? 11.787 42.201 -18.837 1.00 42.13 ? ? ? ? ? ? 161 ASP A C 1 -ATOM 2477 O O . ASP E 3 161 ? 11.593 43.309 -19.356 1.00 48.74 ? ? ? ? ? ? 161 ASP A O 1 -ATOM 2478 C CB . ASP E 3 161 ? 11.536 40.472 -20.705 1.00 48.50 ? ? ? ? ? ? 161 ASP A CB 1 -ATOM 2479 C CG . ASP E 3 161 ? 11.129 41.336 -21.885 1.00 48.94 ? ? ? ? ? ? 161 ASP A CG 1 -ATOM 2480 O OD1 . ASP E 3 161 ? 12.014 41.980 -22.472 1.00 42.36 ? ? ? ? ? ? 161 ASP A OD1 1 -ATOM 2481 O OD2 . ASP E 3 161 ? 9.929 41.360 -22.224 1.00 41.52 ? ? ? ? ? ? 161 ASP A OD2 1 -ATOM 2482 N N . GLY E 3 162 ? 12.581 41.987 -17.778 1.00 32.44 ? ? ? ? ? ? 162 GLY A N 1 -ATOM 2483 C CA . GLY E 3 162 ? 13.418 43.000 -17.144 1.00 21.40 ? ? ? ? ? ? 162 GLY A CA 1 -ATOM 2484 C C . GLY E 3 162 ? 12.679 44.103 -16.395 1.00 25.06 ? ? ? ? ? ? 162 GLY A C 1 -ATOM 2485 O O . GLY E 3 162 ? 11.441 44.187 -16.350 1.00 15.57 ? ? ? ? ? ? 162 GLY A O 1 -ATOM 2486 N N . MET E 3 163 ? 13.472 44.972 -15.776 1.00 31.59 ? ? ? ? ? ? 163 MET A N 1 -ATOM 2487 C CA . MET E 3 163 ? 12.937 46.121 -15.049 1.00 34.03 ? ? ? ? ? ? 163 MET A CA 1 -ATOM 2488 C C . MET E 3 163 ? 13.191 47.389 -15.817 1.00 35.97 ? ? ? ? ? ? 163 MET A C 1 -ATOM 2489 O O . MET E 3 163 ? 14.298 47.638 -16.326 1.00 40.80 ? ? ? ? ? ? 163 MET A O 1 -ATOM 2490 C CB . MET E 3 163 ? 13.581 46.312 -13.682 1.00 36.34 ? ? ? ? ? ? 163 MET A CB 1 -ATOM 2491 C CG . MET E 3 163 ? 12.606 46.170 -12.539 1.00 42.75 ? ? ? ? ? ? 163 MET A CG 1 -ATOM 2492 S SD . MET E 3 163 ? 11.898 44.511 -12.485 1.00 44.85 ? ? ? ? ? ? 163 MET A SD 1 -ATOM 2493 C CE . MET E 3 163 ? 10.341 44.723 -13.380 1.00 44.59 ? ? ? ? ? ? 163 MET A CE 1 -ATOM 2494 N N . GLN E 3 164 ? 12.135 48.191 -15.877 1.00 32.34 ? ? ? ? ? ? 164 GLN A N 1 -ATOM 2495 C CA . GLN E 3 164 ? 12.163 49.466 -16.548 1.00 30.00 ? ? ? ? ? ? 164 GLN A CA 1 -ATOM 2496 C C . GLN E 3 164 ? 12.568 50.514 -15.541 1.00 30.25 ? ? ? ? ? ? 164 GLN A C 1 -ATOM 2497 O O . GLN E 3 164 ? 11.862 50.836 -14.598 1.00 27.76 ? ? ? ? ? ? 164 GLN A O 1 -ATOM 2498 C CB . GLN E 3 164 ? 10.777 49.784 -17.144 1.00 26.97 ? ? ? ? ? ? 164 GLN A CB 1 -ATOM 2499 C CG . GLN E 3 164 ? 10.654 51.089 -17.914 1.00 24.46 ? ? ? ? ? ? 164 GLN A CG 1 -ATOM 2500 C CD . GLN E 3 164 ? 9.316 51.223 -18.661 1.00 26.88 ? ? ? ? ? ? 164 GLN A CD 1 -ATOM 2501 O OE1 . GLN E 3 164 ? 9.285 51.679 -19.789 1.00 36.11 ? ? ? ? ? ? 164 GLN A OE1 1 -ATOM 2502 N NE2 . GLN E 3 164 ? 8.218 50.827 -18.035 1.00 26.58 ? ? ? ? ? ? 164 GLN A NE2 1 -ATOM 2503 N N . ILE E 3 165 ? 13.817 50.891 -15.707 1.00 33.93 ? ? ? ? ? ? 165 ILE A N 1 -ATOM 2504 C CA . ILE E 3 165 ? 14.460 51.984 -15.027 1.00 30.01 ? ? ? ? ? ? 165 ILE A CA 1 -ATOM 2505 C C . ILE E 3 165 ? 14.209 53.253 -15.814 1.00 26.17 ? ? ? ? ? ? 165 ILE A C 1 -ATOM 2506 O O . ILE E 3 165 ? 14.069 53.159 -17.027 1.00 30.02 ? ? ? ? ? ? 165 ILE A O 1 -ATOM 2507 C CB . ILE E 3 165 ? 16.008 51.637 -14.897 1.00 16.21 ? ? ? ? ? ? 165 ILE A CB 1 -ATOM 2508 C CG1 . ILE E 3 165 ? 16.215 50.655 -13.739 1.00 17.72 ? ? ? ? ? ? 165 ILE A CG1 1 -ATOM 2509 C CG2 . ILE E 3 165 ? 16.807 52.840 -14.690 1.00 25.39 ? ? ? ? ? ? 165 ILE A CG2 1 -ATOM 2510 C CD1 . ILE E 3 165 ? 14.924 50.331 -12.907 1.00 23.56 ? ? ? ? ? ? 165 ILE A CD1 1 -ATOM 2511 N N . LYS E 3 166 ? 14.064 54.407 -15.200 1.00 25.27 ? ? ? ? ? ? 166 LYS A N 1 -ATOM 2512 C CA . LYS E 3 166 ? 13.856 55.574 -16.030 1.00 25.89 ? ? ? ? ? ? 166 LYS A CA 1 -ATOM 2513 C C . LYS E 3 166 ? 14.990 56.446 -15.713 1.00 25.73 ? ? ? ? ? ? 166 LYS A C 1 -ATOM 2514 O O . LYS E 3 166 ? 15.130 56.806 -14.551 1.00 26.84 ? ? ? ? ? ? 166 LYS A O 1 -ATOM 2515 C CB . LYS E 3 166 ? 12.573 56.348 -15.697 1.00 34.33 ? ? ? ? ? ? 166 LYS A CB 1 -ATOM 2516 C CG . LYS E 3 166 ? 12.441 57.678 -16.513 1.00 43.24 ? ? ? ? ? ? 166 LYS A CG 1 -ATOM 2517 C CD . LYS E 3 166 ? 11.118 58.451 -16.277 1.00 52.65 ? ? ? ? ? ? 166 LYS A CD 1 -ATOM 2518 C CE . LYS E 3 166 ? 10.915 59.594 -17.296 1.00 55.00 ? ? ? ? ? ? 166 LYS A CE 1 -ATOM 2519 N NZ . LYS E 3 166 ? 9.512 60.135 -17.322 1.00 51.57 ? ? ? ? ? ? 166 LYS A NZ 1 -ATOM 2520 N N . ILE E 3 167 ? 15.814 56.785 -16.694 1.00 20.18 ? ? ? ? ? ? 167 ILE A N 1 -ATOM 2521 C CA . ILE E 3 167 ? 16.939 57.579 -16.312 1.00 18.34 ? ? ? ? ? ? 167 ILE A CA 1 -ATOM 2522 C C . ILE E 3 167 ? 17.691 58.175 -17.487 1.00 20.70 ? ? ? ? ? ? 167 ILE A C 1 -ATOM 2523 O O . ILE E 3 167 ? 17.674 57.689 -18.616 1.00 17.89 ? ? ? ? ? ? 167 ILE A O 1 -ATOM 2524 C CB . ILE E 3 167 ? 17.896 56.712 -15.454 1.00 14.35 ? ? ? ? ? ? 167 ILE A CB 1 -ATOM 2525 C CG1 . ILE E 3 167 ? 18.695 57.618 -14.517 1.00 16.17 ? ? ? ? ? ? 167 ILE A CG1 1 -ATOM 2526 C CG2 . ILE E 3 167 ? 18.846 55.904 -16.370 1.00 22.46 ? ? ? ? ? ? 167 ILE A CG2 1 -ATOM 2527 C CD1 . ILE E 3 167 ? 19.575 56.889 -13.562 1.00 13.78 ? ? ? ? ? ? 167 ILE A CD1 1 -ATOM 2528 N N . THR E 3 168 ? 18.331 59.265 -17.107 1.00 18.13 ? ? ? ? ? ? 168 THR A N 1 -ATOM 2529 C CA . THR E 3 168 ? 19.185 60.155 -17.833 1.00 13.26 ? ? ? ? ? ? 168 THR A CA 1 -ATOM 2530 C C . THR E 3 168 ? 20.614 59.707 -17.835 1.00 14.87 ? ? ? ? ? ? 168 THR A C 1 -ATOM 2531 O O . THR E 3 168 ? 21.246 59.703 -16.796 1.00 23.81 ? ? ? ? ? ? 168 THR A O 1 -ATOM 2532 C CB . THR E 3 168 ? 19.086 61.540 -17.203 1.00 23.16 ? ? ? ? ? ? 168 THR A CB 1 -ATOM 2533 O OG1 . THR E 3 168 ? 17.949 62.214 -17.762 1.00 38.01 ? ? ? ? ? ? 168 THR A OG1 1 -ATOM 2534 C CG2 . THR E 3 168 ? 20.348 62.314 -17.392 1.00 20.68 ? ? ? ? ? ? 168 THR A CG2 1 -ATOM 2535 N N . ARG E 3 169 ? 21.141 59.389 -19.008 1.00 21.98 ? ? ? ? ? ? 169 ARG A N 1 -ATOM 2536 C CA . ARG E 3 169 ? 22.540 59.005 -19.140 1.00 18.04 ? ? ? ? ? ? 169 ARG A CA 1 -ATOM 2537 C C . ARG E 3 169 ? 23.434 60.011 -18.443 1.00 16.36 ? ? ? ? ? ? 169 ARG A C 1 -ATOM 2538 O O . ARG E 3 169 ? 24.587 59.706 -18.117 1.00 14.61 ? ? ? ? ? ? 169 ARG A O 1 -ATOM 2539 C CB . ARG E 3 169 ? 23.004 58.962 -20.595 1.00 8.74 ? ? ? ? ? ? 169 ARG A CB 1 -ATOM 2540 C CG . ARG E 3 169 ? 22.433 57.919 -21.479 1.00 6.00 ? ? ? ? ? ? 169 ARG A CG 1 -ATOM 2541 C CD . ARG E 3 169 ? 22.715 58.307 -22.951 1.00 6.00 ? ? ? ? ? ? 169 ARG A CD 1 -ATOM 2542 N NE . ARG E 3 169 ? 21.892 57.468 -23.816 1.00 7.77 ? ? ? ? ? ? 169 ARG A NE 1 -ATOM 2543 C CZ . ARG E 3 169 ? 20.588 57.338 -23.642 1.00 6.00 ? ? ? ? ? ? 169 ARG A CZ 1 -ATOM 2544 N NH1 . ARG E 3 169 ? 20.031 58.007 -22.661 1.00 6.00 ? ? ? ? ? ? 169 ARG A NH1 1 -ATOM 2545 N NH2 . ARG E 3 169 ? 19.859 56.504 -24.385 1.00 6.00 ? ? ? ? ? ? 169 ARG A NH2 1 -ATOM 2546 N N . GLN E 3 170 ? 22.950 61.232 -18.271 1.00 18.66 ? ? ? ? ? ? 170 GLN A N 1 -ATOM 2547 C CA . GLN E 3 170 ? 23.787 62.216 -17.617 1.00 19.32 ? ? ? ? ? ? 170 GLN A CA 1 -ATOM 2548 C C . GLN E 3 170 ? 23.887 61.825 -16.170 1.00 16.04 ? ? ? ? ? ? 170 GLN A C 1 -ATOM 2549 O O . GLN E 3 170 ? 24.968 61.869 -15.605 1.00 7.96 ? ? ? ? ? ? 170 GLN A O 1 -ATOM 2550 C CB . GLN E 3 170 ? 23.174 63.605 -17.785 1.00 17.52 ? ? ? ? ? ? 170 GLN A CB 1 -ATOM 2551 C CG . GLN E 3 170 ? 24.185 64.624 -18.259 1.00 26.55 ? ? ? ? ? ? 170 GLN A CG 1 -ATOM 2552 C CD . GLN E 3 170 ? 23.535 65.750 -19.049 1.00 26.12 ? ? ? ? ? ? 170 GLN A CD 1 -ATOM 2553 O OE1 . GLN E 3 170 ? 24.015 66.129 -20.120 1.00 36.57 ? ? ? ? ? ? 170 GLN A OE1 1 -ATOM 2554 N NE2 . GLN E 3 170 ? 22.432 66.280 -18.539 1.00 26.93 ? ? ? ? ? ? 170 GLN A NE2 1 -ATOM 2555 N N . GLU E 3 171 ? 22.761 61.372 -15.622 1.00 7.44 ? ? ? ? ? ? 171 GLU A N 1 -ATOM 2556 C CA . GLU E 3 171 ? 22.693 60.893 -14.221 1.00 18.12 ? ? ? ? ? ? 171 GLU A CA 1 -ATOM 2557 C C . GLU E 3 171 ? 23.642 59.718 -13.941 1.00 12.67 ? ? ? ? ? ? 171 GLU A C 1 -ATOM 2558 O O . GLU E 3 171 ? 24.474 59.795 -13.012 1.00 13.40 ? ? ? ? ? ? 171 GLU A O 1 -ATOM 2559 C CB . GLU E 3 171 ? 21.271 60.455 -13.865 1.00 20.27 ? ? ? ? ? ? 171 GLU A CB 1 -ATOM 2560 C CG . GLU E 3 171 ? 20.401 61.583 -13.325 1.00 23.57 ? ? ? ? ? ? 171 GLU A CG 1 -ATOM 2561 C CD . GLU E 3 171 ? 19.830 61.251 -11.946 1.00 26.74 ? ? ? ? ? ? 171 GLU A CD 1 -ATOM 2562 O OE1 . GLU E 3 171 ? 20.507 61.484 -10.910 1.00 13.87 ? ? ? ? ? ? 171 GLU A OE1 1 -ATOM 2563 O OE2 . GLU E 3 171 ? 18.688 60.746 -11.920 1.00 18.20 ? ? ? ? ? ? 171 GLU A OE2 1 -ATOM 2564 N N . ILE E 3 172 ? 23.545 58.663 -14.761 1.00 12.53 ? ? ? ? ? ? 172 ILE A N 1 -ATOM 2565 C CA . ILE E 3 172 ? 24.439 57.511 -14.631 1.00 8.09 ? ? ? ? ? ? 172 ILE A CA 1 -ATOM 2566 C C . ILE E 3 172 ? 25.876 58.025 -14.643 1.00 6.83 ? ? ? ? ? ? 172 ILE A C 1 -ATOM 2567 O O . ILE E 3 172 ? 26.688 57.567 -13.846 1.00 12.67 ? ? ? ? ? ? 172 ILE A O 1 -ATOM 2568 C CB . ILE E 3 172 ? 24.195 56.509 -15.807 1.00 10.79 ? ? ? ? ? ? 172 ILE A CB 1 -ATOM 2569 C CG1 . ILE E 3 172 ? 22.734 56.026 -15.754 1.00 7.15 ? ? ? ? ? ? 172 ILE A CG1 1 -ATOM 2570 C CG2 . ILE E 3 172 ? 25.138 55.344 -15.714 1.00 9.56 ? ? ? ? ? ? 172 ILE A CG2 1 -ATOM 2571 C CD1 . ILE E 3 172 ? 22.290 55.160 -16.904 1.00 13.88 ? ? ? ? ? ? 172 ILE A CD1 1 -ATOM 2572 N N . GLY E 3 173 ? 26.196 58.987 -15.510 1.00 6.00 ? ? ? ? ? ? 173 GLY A N 1 -ATOM 2573 C CA . GLY E 3 173 ? 27.541 59.524 -15.515 1.00 10.97 ? ? ? ? ? ? 173 GLY A CA 1 -ATOM 2574 C C . GLY E 3 173 ? 27.888 60.109 -14.136 1.00 19.70 ? ? ? ? ? ? 173 GLY A C 1 -ATOM 2575 O O . GLY E 3 173 ? 29.047 60.044 -13.711 1.00 32.24 ? ? ? ? ? ? 173 GLY A O 1 -ATOM 2576 N N . GLN E 3 174 ? 26.907 60.666 -13.418 1.00 22.34 ? ? ? ? ? ? 174 GLN A N 1 -ATOM 2577 C CA . GLN E 3 174 ? 27.147 61.287 -12.097 1.00 21.92 ? ? ? ? ? ? 174 GLN A CA 1 -ATOM 2578 C C . GLN E 3 174 ? 27.317 60.271 -10.966 1.00 15.93 ? ? ? ? ? ? 174 GLN A C 1 -ATOM 2579 O O . GLN E 3 174 ? 28.267 60.352 -10.178 1.00 14.99 ? ? ? ? ? ? 174 GLN A O 1 -ATOM 2580 C CB . GLN E 3 174 ? 25.989 62.236 -11.786 1.00 24.14 ? ? ? ? ? ? 174 GLN A CB 1 -ATOM 2581 C CG . GLN E 3 174 ? 26.065 63.553 -12.562 1.00 13.84 ? ? ? ? ? ? 174 GLN A CG 1 -ATOM 2582 C CD . GLN E 3 174 ? 24.789 64.325 -12.500 1.00 15.12 ? ? ? ? ? ? 174 GLN A CD 1 -ATOM 2583 O OE1 . GLN E 3 174 ? 24.589 65.205 -13.309 1.00 15.50 ? ? ? ? ? ? 174 GLN A OE1 1 -ATOM 2584 N NE2 . GLN E 3 174 ? 23.899 63.993 -11.546 1.00 15.00 ? ? ? ? ? ? 174 GLN A NE2 1 -ATOM 2585 N N . ILE E 3 175 ? 26.350 59.371 -10.883 1.00 6.00 ? ? ? ? ? ? 175 ILE A N 1 -ATOM 2586 C CA . ILE E 3 175 ? 26.363 58.226 -10.007 1.00 7.48 ? ? ? ? ? ? 175 ILE A CA 1 -ATOM 2587 C C . ILE E 3 175 ? 27.693 57.493 -10.048 1.00 9.42 ? ? ? ? ? ? 175 ILE A C 1 -ATOM 2588 O O . ILE E 3 175 ? 28.284 57.182 -9.018 1.00 12.89 ? ? ? ? ? ? 175 ILE A O 1 -ATOM 2589 C CB . ILE E 3 175 ? 25.309 57.227 -10.428 1.00 6.00 ? ? ? ? ? ? 175 ILE A CB 1 -ATOM 2590 C CG1 . ILE E 3 175 ? 23.966 57.855 -10.167 1.00 6.00 ? ? ? ? ? ? 175 ILE A CG1 1 -ATOM 2591 C CG2 . ILE E 3 175 ? 25.572 55.894 -9.797 1.00 6.00 ? ? ? ? ? ? 175 ILE A CG2 1 -ATOM 2592 C CD1 . ILE E 3 175 ? 22.901 56.851 -10.203 1.00 6.00 ? ? ? ? ? ? 175 ILE A CD1 1 -ATOM 2593 N N . VAL E 3 176 ? 28.158 57.244 -11.274 1.00 12.72 ? ? ? ? ? ? 176 VAL A N 1 -ATOM 2594 C CA . VAL E 3 176 ? 29.333 56.405 -11.608 1.00 6.00 ? ? ? ? ? ? 176 VAL A CA 1 -ATOM 2595 C C . VAL E 3 176 ? 30.667 57.046 -11.707 1.00 7.40 ? ? ? ? ? ? 176 VAL A C 1 -ATOM 2596 O O . VAL E 3 176 ? 31.679 56.356 -11.648 1.00 6.81 ? ? ? ? ? ? 176 VAL A O 1 -ATOM 2597 C CB . VAL E 3 176 ? 29.042 55.674 -12.925 1.00 10.22 ? ? ? ? ? ? 176 VAL A CB 1 -ATOM 2598 C CG1 . VAL E 3 176 ? 30.227 55.831 -13.922 1.00 6.14 ? ? ? ? ? ? 176 VAL A CG1 1 -ATOM 2599 C CG2 . VAL E 3 176 ? 28.682 54.230 -12.573 1.00 6.00 ? ? ? ? ? ? 176 VAL A CG2 1 -ATOM 2600 N N . GLY E 3 177 ? 30.711 58.337 -11.921 1.00 8.35 ? ? ? ? ? ? 177 GLY A N 1 -ATOM 2601 C CA . GLY E 3 177 ? 32.028 58.929 -12.011 1.00 11.15 ? ? ? ? ? ? 177 GLY A CA 1 -ATOM 2602 C C . GLY E 3 177 ? 32.599 58.900 -13.408 1.00 6.33 ? ? ? ? ? ? 177 GLY A C 1 -ATOM 2603 O O . GLY E 3 177 ? 33.790 58.760 -13.603 1.00 7.01 ? ? ? ? ? ? 177 GLY A O 1 -ATOM 2604 N N . CYS E 3 178 ? 31.772 59.020 -14.412 1.00 8.26 ? ? ? ? ? ? 178 CYS A N 1 -ATOM 2605 C CA . CYS E 3 178 ? 32.358 59.093 -15.751 1.00 15.38 ? ? ? ? ? ? 178 CYS A CA 1 -ATOM 2606 C C . CYS E 3 178 ? 31.576 60.203 -16.464 1.00 12.90 ? ? ? ? ? ? 178 CYS A C 1 -ATOM 2607 O O . CYS E 3 178 ? 30.608 60.673 -15.900 1.00 6.00 ? ? ? ? ? ? 178 CYS A O 1 -ATOM 2608 C CB . CYS E 3 178 ? 32.236 57.715 -16.523 1.00 6.00 ? ? ? ? ? ? 178 CYS A CB 1 -ATOM 2609 S SG . CYS E 3 178 ? 30.650 56.957 -16.996 1.00 19.10 ? ? ? ? ? ? 178 CYS A SG 1 -ATOM 2610 N N . SER E 3 179 ? 32.003 60.628 -17.648 1.00 8.00 ? ? ? ? ? ? 179 SER A N 1 -ATOM 2611 C CA . SER E 3 179 ? 31.352 61.671 -18.396 1.00 6.00 ? ? ? ? ? ? 179 SER A CA 1 -ATOM 2612 C C . SER E 3 179 ? 30.185 61.112 -19.151 1.00 6.60 ? ? ? ? ? ? 179 SER A C 1 -ATOM 2613 O O . SER E 3 179 ? 30.175 59.918 -19.426 1.00 17.73 ? ? ? ? ? ? 179 SER A O 1 -ATOM 2614 C CB . SER E 3 179 ? 32.303 62.264 -19.390 1.00 18.18 ? ? ? ? ? ? 179 SER A CB 1 -ATOM 2615 O OG . SER E 3 179 ? 32.516 61.277 -20.386 1.00 23.24 ? ? ? ? ? ? 179 SER A OG 1 -ATOM 2616 N N . ARG E 3 180 ? 29.269 61.998 -19.557 1.00 13.27 ? ? ? ? ? ? 180 ARG A N 1 -ATOM 2617 C CA . ARG E 3 180 ? 28.047 61.669 -20.303 1.00 15.09 ? ? ? ? ? ? 180 ARG A CA 1 -ATOM 2618 C C . ARG E 3 180 ? 28.262 60.753 -21.518 1.00 19.25 ? ? ? ? ? ? 180 ARG A C 1 -ATOM 2619 O O . ARG E 3 180 ? 27.488 59.826 -21.723 1.00 16.65 ? ? ? ? ? ? 180 ARG A O 1 -ATOM 2620 C CB . ARG E 3 180 ? 27.356 62.934 -20.844 1.00 19.50 ? ? ? ? ? ? 180 ARG A CB 1 -ATOM 2621 C CG . ARG E 3 180 ? 25.945 62.634 -21.470 1.00 32.19 ? ? ? ? ? ? 180 ARG A CG 1 -ATOM 2622 C CD . ARG E 3 180 ? 25.124 63.771 -22.233 1.00 14.42 ? ? ? ? ? ? 180 ARG A CD 1 -ATOM 2623 N NE . ARG E 3 180 ? 25.696 64.147 -23.519 1.00 15.89 ? ? ? ? ? ? 180 ARG A NE 1 -ATOM 2624 C CZ . ARG E 3 180 ? 26.712 64.998 -23.669 1.00 21.82 ? ? ? ? ? ? 180 ARG A CZ 1 -ATOM 2625 N NH1 . ARG E 3 180 ? 27.274 65.576 -22.605 1.00 21.19 ? ? ? ? ? ? 180 ARG A NH1 1 -ATOM 2626 N NH2 . ARG E 3 180 ? 27.198 65.242 -24.891 1.00 11.64 ? ? ? ? ? ? 180 ARG A NH2 1 -ATOM 2627 N N . GLU E 3 181 ? 29.302 61.006 -22.316 1.00 12.92 ? ? ? ? ? ? 181 GLU A N 1 -ATOM 2628 C CA . GLU E 3 181 ? 29.468 60.245 -23.554 1.00 19.53 ? ? ? ? ? ? 181 GLU A CA 1 -ATOM 2629 C C . GLU E 3 181 ? 29.836 58.822 -23.324 1.00 20.20 ? ? ? ? ? ? 181 GLU A C 1 -ATOM 2630 O O . GLU E 3 181 ? 29.337 57.940 -24.058 1.00 15.29 ? ? ? ? ? ? 181 GLU A O 1 -ATOM 2631 C CB . GLU E 3 181 ? 30.547 60.829 -24.466 1.00 7.71 ? ? ? ? ? ? 181 GLU A CB 1 -ATOM 2632 C CG . GLU E 3 181 ? 30.299 62.225 -24.954 1.00 19.11 ? ? ? ? ? ? 181 GLU A CG 1 -ATOM 2633 C CD . GLU E 3 181 ? 30.716 63.312 -23.973 1.00 19.51 ? ? ? ? ? ? 181 GLU A CD 1 -ATOM 2634 O OE1 . GLU E 3 181 ? 31.178 63.065 -22.842 1.00 18.05 ? ? ? ? ? ? 181 GLU A OE1 1 -ATOM 2635 O OE2 . GLU E 3 181 ? 30.564 64.468 -24.373 1.00 15.90 ? ? ? ? ? ? 181 GLU A OE2 1 -ATOM 2636 N N . THR E 3 182 ? 30.745 58.608 -22.368 1.00 16.75 ? ? ? ? ? ? 182 THR A N 1 -ATOM 2637 C CA . THR E 3 182 ? 31.155 57.277 -22.011 1.00 11.14 ? ? ? ? ? ? 182 THR A CA 1 -ATOM 2638 C C . THR E 3 182 ? 29.892 56.470 -21.708 1.00 6.71 ? ? ? ? ? ? 182 THR A C 1 -ATOM 2639 O O . THR E 3 182 ? 29.692 55.371 -22.213 1.00 17.80 ? ? ? ? ? ? 182 THR A O 1 -ATOM 2640 C CB . THR E 3 182 ? 32.061 57.319 -20.783 1.00 20.51 ? ? ? ? ? ? 182 THR A CB 1 -ATOM 2641 O OG1 . THR E 3 182 ? 33.305 57.900 -21.163 1.00 16.04 ? ? ? ? ? ? 182 THR A OG1 1 -ATOM 2642 C CG2 . THR E 3 182 ? 32.362 55.907 -20.251 1.00 20.78 ? ? ? ? ? ? 182 THR A CG2 1 -ATOM 2643 N N . VAL E 3 183 ? 28.990 56.996 -20.908 1.00 8.47 ? ? ? ? ? ? 183 VAL A N 1 -ATOM 2644 C CA . VAL E 3 183 ? 27.783 56.212 -20.644 1.00 8.53 ? ? ? ? ? ? 183 VAL A CA 1 -ATOM 2645 C C . VAL E 3 183 ? 27.047 55.836 -21.945 1.00 12.75 ? ? ? ? ? ? 183 VAL A C 1 -ATOM 2646 O O . VAL E 3 183 ? 26.710 54.681 -22.146 1.00 24.82 ? ? ? ? ? ? 183 VAL A O 1 -ATOM 2647 C CB . VAL E 3 183 ? 26.863 57.027 -19.717 1.00 16.54 ? ? ? ? ? ? 183 VAL A CB 1 -ATOM 2648 C CG1 . VAL E 3 183 ? 25.521 56.350 -19.529 1.00 9.01 ? ? ? ? ? ? 183 VAL A CG1 1 -ATOM 2649 C CG2 . VAL E 3 183 ? 27.594 57.204 -18.384 1.00 12.77 ? ? ? ? ? ? 183 VAL A CG2 1 -ATOM 2650 N N . GLY E 3 184 ? 26.854 56.800 -22.840 1.00 10.94 ? ? ? ? ? ? 184 GLY A N 1 -ATOM 2651 C CA . GLY E 3 184 ? 26.093 56.595 -24.060 1.00 12.64 ? ? ? ? ? ? 184 GLY A CA 1 -ATOM 2652 C C . GLY E 3 184 ? 26.602 55.435 -24.863 1.00 15.65 ? ? ? ? ? ? 184 GLY A C 1 -ATOM 2653 O O . GLY E 3 184 ? 25.821 54.604 -25.353 1.00 21.22 ? ? ? ? ? ? 184 GLY A O 1 -ATOM 2654 N N . ARG E 3 185 ? 27.924 55.399 -24.981 1.00 18.79 ? ? ? ? ? ? 185 ARG A N 1 -ATOM 2655 C CA . ARG E 3 185 ? 28.606 54.355 -25.706 1.00 20.58 ? ? ? ? ? ? 185 ARG A CA 1 -ATOM 2656 C C . ARG E 3 185 ? 28.425 53.024 -25.095 1.00 20.32 ? ? ? ? ? ? 185 ARG A C 1 -ATOM 2657 O O . ARG E 3 185 ? 28.023 52.119 -25.791 1.00 24.49 ? ? ? ? ? ? 185 ARG A O 1 -ATOM 2658 C CB . ARG E 3 185 ? 30.093 54.642 -25.786 1.00 26.61 ? ? ? ? ? ? 185 ARG A CB 1 -ATOM 2659 C CG . ARG E 3 185 ? 30.390 55.638 -26.883 1.00 30.04 ? ? ? ? ? ? 185 ARG A CG 1 -ATOM 2660 C CD . ARG E 3 185 ? 31.542 56.448 -26.507 1.00 31.45 ? ? ? ? ? ? 185 ARG A CD 1 -ATOM 2661 N NE . ARG E 3 185 ? 31.848 57.444 -27.510 1.00 36.34 ? ? ? ? ? ? 185 ARG A NE 1 -ATOM 2662 C CZ . ARG E 3 185 ? 32.635 58.474 -27.234 1.00 36.77 ? ? ? ? ? ? 185 ARG A CZ 1 -ATOM 2663 N NH1 . ARG E 3 185 ? 32.902 59.354 -28.179 1.00 38.70 ? ? ? ? ? ? 185 ARG A NH1 1 -ATOM 2664 N NH2 . ARG E 3 185 ? 33.123 58.633 -25.998 1.00 33.17 ? ? ? ? ? ? 185 ARG A NH2 1 -ATOM 2665 N N . ILE E 3 186 ? 28.725 52.916 -23.800 1.00 15.33 ? ? ? ? ? ? 186 ILE A N 1 -ATOM 2666 C CA . ILE E 3 186 ? 28.659 51.645 -23.090 1.00 10.88 ? ? ? ? ? ? 186 ILE A CA 1 -ATOM 2667 C C . ILE E 3 186 ? 27.267 51.119 -23.198 1.00 7.58 ? ? ? ? ? ? 186 ILE A C 1 -ATOM 2668 O O . ILE E 3 186 ? 27.046 49.959 -23.476 1.00 11.08 ? ? ? ? ? ? 186 ILE A O 1 -ATOM 2669 C CB . ILE E 3 186 ? 28.965 51.761 -21.573 1.00 16.96 ? ? ? ? ? ? 186 ILE A CB 1 -ATOM 2670 C CG1 . ILE E 3 186 ? 30.354 52.376 -21.298 1.00 14.97 ? ? ? ? ? ? 186 ILE A CG1 1 -ATOM 2671 C CG2 . ILE E 3 186 ? 28.878 50.371 -20.991 1.00 14.06 ? ? ? ? ? ? 186 ILE A CG2 1 -ATOM 2672 C CD1 . ILE E 3 186 ? 31.581 51.511 -21.684 1.00 25.24 ? ? ? ? ? ? 186 ILE A CD1 1 -ATOM 2673 N N . LEU E 3 187 ? 26.318 52.007 -22.979 1.00 8.42 ? ? ? ? ? ? 187 LEU A N 1 -ATOM 2674 C CA . LEU E 3 187 ? 24.919 51.654 -23.011 1.00 11.91 ? ? ? ? ? ? 187 LEU A CA 1 -ATOM 2675 C C . LEU E 3 187 ? 24.584 51.006 -24.336 1.00 16.01 ? ? ? ? ? ? 187 LEU A C 1 -ATOM 2676 O O . LEU E 3 187 ? 23.778 50.071 -24.383 1.00 19.51 ? ? ? ? ? ? 187 LEU A O 1 -ATOM 2677 C CB . LEU E 3 187 ? 24.068 52.916 -22.807 1.00 15.79 ? ? ? ? ? ? 187 LEU A CB 1 -ATOM 2678 C CG . LEU E 3 187 ? 23.109 53.002 -21.630 1.00 13.01 ? ? ? ? ? ? 187 LEU A CG 1 -ATOM 2679 C CD1 . LEU E 3 187 ? 23.912 53.154 -20.395 1.00 11.11 ? ? ? ? ? ? 187 LEU A CD1 1 -ATOM 2680 C CD2 . LEU E 3 187 ? 22.138 54.159 -21.812 1.00 7.64 ? ? ? ? ? ? 187 LEU A CD2 1 -ATOM 2681 N N . LYS E 3 188 ? 25.187 51.543 -25.409 1.00 30.17 ? ? ? ? ? ? 188 LYS A N 1 -ATOM 2682 C CA . LYS E 3 188 ? 25.034 51.061 -26.791 1.00 34.60 ? ? ? ? ? ? 188 LYS A CA 1 -ATOM 2683 C C . LYS E 3 188 ? 25.583 49.621 -26.887 1.00 33.97 ? ? ? ? ? ? 188 LYS A C 1 -ATOM 2684 O O . LYS E 3 188 ? 24.856 48.695 -27.266 1.00 34.67 ? ? ? ? ? ? 188 LYS A O 1 -ATOM 2685 C CB . LYS E 3 188 ? 25.810 51.985 -27.730 1.00 37.75 ? ? ? ? ? ? 188 LYS A CB 1 -ATOM 2686 C CG . LYS E 3 188 ? 25.101 52.351 -29.020 1.00 48.70 ? ? ? ? ? ? 188 LYS A CG 1 -ATOM 2687 C CD . LYS E 3 188 ? 25.928 53.400 -29.790 1.00 55.00 ? ? ? ? ? ? 188 LYS A CD 1 -ATOM 2688 C CE . LYS E 3 188 ? 26.118 54.709 -28.991 1.00 52.68 ? ? ? ? ? ? 188 LYS A CE 1 -ATOM 2689 N NZ . LYS E 3 188 ? 26.995 55.698 -29.680 1.00 47.03 ? ? ? ? ? ? 188 LYS A NZ 1 -ATOM 2690 N N . MET E 3 189 ? 26.856 49.456 -26.522 1.00 22.90 ? ? ? ? ? ? 189 MET A N 1 -ATOM 2691 C CA . MET E 3 189 ? 27.534 48.157 -26.483 1.00 22.26 ? ? ? ? ? ? 189 MET A CA 1 -ATOM 2692 C C . MET E 3 189 ? 26.643 47.093 -25.810 1.00 25.82 ? ? ? ? ? ? 189 MET A C 1 -ATOM 2693 O O . MET E 3 189 ? 26.380 46.045 -26.406 1.00 31.82 ? ? ? ? ? ? 189 MET A O 1 -ATOM 2694 C CB . MET E 3 189 ? 28.843 48.326 -25.720 1.00 18.51 ? ? ? ? ? ? 189 MET A CB 1 -ATOM 2695 C CG . MET E 3 189 ? 30.031 47.529 -26.237 1.00 21.59 ? ? ? ? ? ? 189 MET A CG 1 -ATOM 2696 S SD . MET E 3 189 ? 31.599 48.175 -25.520 1.00 32.16 ? ? ? ? ? ? 189 MET A SD 1 -ATOM 2697 C CE . MET E 3 189 ? 32.785 47.038 -26.205 1.00 27.39 ? ? ? ? ? ? 189 MET A CE 1 -ATOM 2698 N N . LEU E 3 190 ? 26.143 47.379 -24.604 1.00 22.69 ? ? ? ? ? ? 190 LEU A N 1 -ATOM 2699 C CA . LEU E 3 190 ? 25.262 46.472 -23.852 1.00 18.50 ? ? ? ? ? ? 190 LEU A CA 1 -ATOM 2700 C C . LEU E 3 190 ? 24.003 46.110 -24.597 1.00 19.01 ? ? ? ? ? ? 190 LEU A C 1 -ATOM 2701 O O . LEU E 3 190 ? 23.480 45.016 -24.464 1.00 20.28 ? ? ? ? ? ? 190 LEU A O 1 -ATOM 2702 C CB . LEU E 3 190 ? 24.901 47.119 -22.522 1.00 12.97 ? ? ? ? ? ? 190 LEU A CB 1 -ATOM 2703 C CG . LEU E 3 190 ? 26.079 47.008 -21.562 1.00 14.05 ? ? ? ? ? ? 190 LEU A CG 1 -ATOM 2704 C CD1 . LEU E 3 190 ? 26.399 48.283 -20.799 1.00 11.88 ? ? ? ? ? ? 190 LEU A CD1 1 -ATOM 2705 C CD2 . LEU E 3 190 ? 25.707 45.862 -20.684 1.00 19.02 ? ? ? ? ? ? 190 LEU A CD2 1 -ATOM 2706 N N . GLU E 3 191 ? 23.485 47.040 -25.369 1.00 27.73 ? ? ? ? ? ? 191 GLU A N 1 -ATOM 2707 C CA . GLU E 3 191 ? 22.298 46.729 -26.135 1.00 30.40 ? ? ? ? ? ? 191 GLU A CA 1 -ATOM 2708 C C . GLU E 3 191 ? 22.707 45.788 -27.271 1.00 28.65 ? ? ? ? ? ? 191 GLU A C 1 -ATOM 2709 O O . GLU E 3 191 ? 22.086 44.765 -27.474 1.00 33.58 ? ? ? ? ? ? 191 GLU A O 1 -ATOM 2710 C CB . GLU E 3 191 ? 21.686 48.020 -26.691 1.00 25.77 ? ? ? ? ? ? 191 GLU A CB 1 -ATOM 2711 C CG . GLU E 3 191 ? 20.186 47.905 -26.960 1.00 19.87 ? ? ? ? ? ? 191 GLU A CG 1 -ATOM 2712 C CD . GLU E 3 191 ? 19.535 49.247 -27.251 1.00 28.45 ? ? ? ? ? ? 191 GLU A CD 1 -ATOM 2713 O OE1 . GLU E 3 191 ? 18.290 49.252 -27.321 1.00 28.93 ? ? ? ? ? ? 191 GLU A OE1 1 -ATOM 2714 O OE2 . GLU E 3 191 ? 20.251 50.279 -27.403 1.00 32.26 ? ? ? ? ? ? 191 GLU A OE2 1 -ATOM 2715 N N . ASP E 3 192 ? 23.761 46.117 -27.999 1.00 15.74 ? ? ? ? ? ? 192 ASP A N 1 -ATOM 2716 C CA . ASP E 3 192 ? 24.233 45.236 -29.046 1.00 15.17 ? ? ? ? ? ? 192 ASP A CA 1 -ATOM 2717 C C . ASP E 3 192 ? 24.372 43.808 -28.520 1.00 21.74 ? ? ? ? ? ? 192 ASP A C 1 -ATOM 2718 O O . ASP E 3 192 ? 24.078 42.866 -29.249 1.00 30.73 ? ? ? ? ? ? 192 ASP A O 1 -ATOM 2719 C CB . ASP E 3 192 ? 25.594 45.687 -29.566 1.00 24.25 ? ? ? ? ? ? 192 ASP A CB 1 -ATOM 2720 C CG . ASP E 3 192 ? 25.538 47.034 -30.254 1.00 36.14 ? ? ? ? ? ? 192 ASP A CG 1 -ATOM 2721 O OD1 . ASP E 3 192 ? 24.445 47.423 -30.713 1.00 36.88 ? ? ? ? ? ? 192 ASP A OD1 1 -ATOM 2722 O OD2 . ASP E 3 192 ? 26.593 47.706 -30.346 1.00 44.01 ? ? ? ? ? ? 192 ASP A OD2 1 -ATOM 2723 N N . GLN E 3 193 ? 24.844 43.632 -27.280 1.00 19.56 ? ? ? ? ? ? 193 GLN A N 1 -ATOM 2724 C CA . GLN E 3 193 ? 24.984 42.279 -26.712 1.00 10.28 ? ? ? ? ? ? 193 GLN A CA 1 -ATOM 2725 C C . GLN E 3 193 ? 23.640 41.714 -26.327 1.00 11.96 ? ? ? ? ? ? 193 GLN A C 1 -ATOM 2726 O O . GLN E 3 193 ? 23.527 40.537 -26.021 1.00 16.64 ? ? ? ? ? ? 193 GLN A O 1 -ATOM 2727 C CB . GLN E 3 193 ? 25.870 42.284 -25.476 1.00 9.30 ? ? ? ? ? ? 193 GLN A CB 1 -ATOM 2728 C CG . GLN E 3 193 ? 27.345 42.580 -25.736 1.00 10.66 ? ? ? ? ? ? 193 GLN A CG 1 -ATOM 2729 C CD . GLN E 3 193 ? 28.131 42.582 -24.419 1.00 24.50 ? ? ? ? ? ? 193 GLN A CD 1 -ATOM 2730 O OE1 . GLN E 3 193 ? 28.675 43.604 -24.022 1.00 30.40 ? ? ? ? ? ? 193 GLN A OE1 1 -ATOM 2731 N NE2 . GLN E 3 193 ? 28.181 41.446 -23.739 1.00 25.74 ? ? ? ? ? ? 193 GLN A NE2 1 -ATOM 2732 N N . ASN E 3 194 ? 22.641 42.582 -26.326 1.00 6.00 ? ? ? ? ? ? 194 ASN A N 1 -ATOM 2733 C CA . ASN E 3 194 ? 21.233 42.279 -26.054 1.00 13.25 ? ? ? ? ? ? 194 ASN A CA 1 -ATOM 2734 C C . ASN E 3 194 ? 20.955 42.179 -24.560 1.00 18.36 ? ? ? ? ? ? 194 ASN A C 1 -ATOM 2735 O O . ASN E 3 194 ? 20.029 41.482 -24.131 1.00 32.17 ? ? ? ? ? ? 194 ASN A O 1 -ATOM 2736 C CB . ASN E 3 194 ? 20.818 40.954 -26.727 1.00 27.73 ? ? ? ? ? ? 194 ASN A CB 1 -ATOM 2737 C CG . ASN E 3 194 ? 21.199 40.871 -28.230 1.00 44.19 ? ? ? ? ? ? 194 ASN A CG 1 -ATOM 2738 O OD1 . ASN E 3 194 ? 20.868 41.744 -29.030 1.00 50.76 ? ? ? ? ? ? 194 ASN A OD1 1 -ATOM 2739 N ND2 . ASN E 3 194 ? 21.889 39.786 -28.609 1.00 55.00 ? ? ? ? ? ? 194 ASN A ND2 1 -ATOM 2740 N N . LEU E 3 195 ? 21.744 42.887 -23.755 1.00 13.17 ? ? ? ? ? ? 195 LEU A N 1 -ATOM 2741 C CA . LEU E 3 195 ? 21.591 42.850 -22.302 1.00 14.94 ? ? ? ? ? ? 195 LEU A CA 1 -ATOM 2742 C C . LEU E 3 195 ? 20.598 43.877 -21.746 1.00 18.36 ? ? ? ? ? ? 195 LEU A C 1 -ATOM 2743 O O . LEU E 3 195 ? 20.198 43.770 -20.601 1.00 14.45 ? ? ? ? ? ? 195 LEU A O 1 -ATOM 2744 C CB . LEU E 3 195 ? 22.973 43.045 -21.640 1.00 11.28 ? ? ? ? ? ? 195 LEU A CB 1 -ATOM 2745 C CG . LEU E 3 195 ? 23.847 41.776 -21.746 1.00 9.83 ? ? ? ? ? ? 195 LEU A CG 1 -ATOM 2746 C CD1 . LEU E 3 195 ? 25.158 42.059 -21.127 1.00 6.00 ? ? ? ? ? ? 195 LEU A CD1 1 -ATOM 2747 C CD2 . LEU E 3 195 ? 23.211 40.584 -21.027 1.00 7.24 ? ? ? ? ? ? 195 LEU A CD2 1 -ATOM 2748 N N . ILE E 3 196 ? 20.193 44.862 -22.543 1.00 31.48 ? ? ? ? ? ? 196 ILE A N 1 -ATOM 2749 C CA . ILE E 3 196 ? 19.250 45.918 -22.120 1.00 27.12 ? ? ? ? ? ? 196 ILE A CA 1 -ATOM 2750 C C . ILE E 3 196 ? 18.582 46.506 -23.365 1.00 26.51 ? ? ? ? ? ? 196 ILE A C 1 -ATOM 2751 O O . ILE E 3 196 ? 18.933 46.125 -24.472 1.00 20.22 ? ? ? ? ? ? 196 ILE A O 1 -ATOM 2752 C CB . ILE E 3 196 ? 19.975 47.111 -21.381 1.00 19.68 ? ? ? ? ? ? 196 ILE A CB 1 -ATOM 2753 C CG1 . ILE E 3 196 ? 20.829 47.921 -22.363 1.00 13.37 ? ? ? ? ? ? 196 ILE A CG1 1 -ATOM 2754 C CG2 . ILE E 3 196 ? 20.928 46.580 -20.332 1.00 18.05 ? ? ? ? ? ? 196 ILE A CG2 1 -ATOM 2755 C CD1 . ILE E 3 196 ? 21.673 49.028 -21.682 1.00 11.77 ? ? ? ? ? ? 196 ILE A CD1 1 -ATOM 2756 N N . SER E 3 197 ? 17.603 47.382 -23.206 1.00 24.29 ? ? ? ? ? ? 197 SER A N 1 -ATOM 2757 C CA . SER E 3 197 ? 17.077 48.100 -24.354 1.00 20.89 ? ? ? ? ? ? 197 SER A CA 1 -ATOM 2758 C C . SER E 3 197 ? 16.804 49.468 -23.793 1.00 24.85 ? ? ? ? ? ? 197 SER A C 1 -ATOM 2759 O O . SER E 3 197 ? 16.241 49.606 -22.705 1.00 23.41 ? ? ? ? ? ? 197 SER A O 1 -ATOM 2760 C CB . SER E 3 197 ? 15.795 47.473 -24.885 1.00 12.72 ? ? ? ? ? ? 197 SER A CB 1 -ATOM 2761 O OG . SER E 3 197 ? 14.734 47.643 -23.993 1.00 16.09 ? ? ? ? ? ? 197 SER A OG 1 -ATOM 2762 N N . ALA E 3 198 ? 17.239 50.475 -24.526 1.00 31.93 ? ? ? ? ? ? 198 ALA A N 1 -ATOM 2763 C CA . ALA E 3 198 ? 17.156 51.854 -24.072 1.00 30.93 ? ? ? ? ? ? 198 ALA A CA 1 -ATOM 2764 C C . ALA E 3 198 ? 16.503 52.786 -25.069 1.00 29.93 ? ? ? ? ? ? 198 ALA A C 1 -ATOM 2765 O O . ALA E 3 198 ? 16.359 52.447 -26.216 1.00 33.61 ? ? ? ? ? ? 198 ALA A O 1 -ATOM 2766 C CB . ALA E 3 198 ? 18.545 52.337 -23.776 1.00 30.54 ? ? ? ? ? ? 198 ALA A CB 1 -ATOM 2767 N N . HIS E 3 199 ? 16.159 53.990 -24.624 1.00 38.11 ? ? ? ? ? ? 199 HIS A N 1 -ATOM 2768 C CA . HIS E 3 199 ? 15.483 55.008 -25.451 1.00 36.12 ? ? ? ? ? ? 199 HIS A CA 1 -ATOM 2769 C C . HIS E 3 199 ? 14.906 56.079 -24.477 1.00 35.84 ? ? ? ? ? ? 199 HIS A C 1 -ATOM 2770 O O . HIS E 3 199 ? 13.855 56.647 -24.726 1.00 34.63 ? ? ? ? ? ? 199 HIS A O 1 -ATOM 2771 C CB . HIS E 3 199 ? 14.393 54.274 -26.239 1.00 38.64 ? ? ? ? ? ? 199 HIS A CB 1 -ATOM 2772 C CG . HIS E 3 199 ? 13.387 55.160 -26.881 1.00 50.54 ? ? ? ? ? ? 199 HIS A CG 1 -ATOM 2773 N ND1 . HIS E 3 199 ? 12.048 55.106 -26.558 1.00 47.44 ? ? ? ? ? ? 199 HIS A ND1 1 -ATOM 2774 C CD2 . HIS E 3 199 ? 13.516 56.141 -27.809 1.00 50.46 ? ? ? ? ? ? 199 HIS A CD2 1 -ATOM 2775 C CE1 . HIS E 3 199 ? 11.387 56.013 -27.252 1.00 50.90 ? ? ? ? ? ? 199 HIS A CE1 1 -ATOM 2776 N NE2 . HIS E 3 199 ? 12.257 56.653 -28.018 1.00 53.55 ? ? ? ? ? ? 199 HIS A NE2 1 -ATOM 2777 N N . GLY E 3 200 ? 15.633 56.361 -23.393 1.00 40.60 ? ? ? ? ? ? 200 GLY A N 1 -ATOM 2778 C CA . GLY E 3 200 ? 15.180 57.237 -22.306 1.00 38.26 ? ? ? ? ? ? 200 GLY A CA 1 -ATOM 2779 C C . GLY E 3 200 ? 14.804 56.313 -21.127 1.00 39.05 ? ? ? ? ? ? 200 GLY A C 1 -ATOM 2780 O O . GLY E 3 200 ? 15.325 56.376 -19.982 1.00 22.50 ? ? ? ? ? ? 200 GLY A O 1 -ATOM 2781 N N . LYS E 3 201 ? 13.834 55.449 -21.403 1.00 40.63 ? ? ? ? ? ? 201 LYS A N 1 -ATOM 2782 C CA . LYS E 3 201 ? 13.513 54.431 -20.435 1.00 39.59 ? ? ? ? ? ? 201 LYS A CA 1 -ATOM 2783 C C . LYS E 3 201 ? 14.408 53.265 -20.819 1.00 36.65 ? ? ? ? ? ? 201 LYS A C 1 -ATOM 2784 O O . LYS E 3 201 ? 14.655 53.040 -21.996 1.00 41.86 ? ? ? ? ? ? 201 LYS A O 1 -ATOM 2785 C CB . LYS E 3 201 ? 12.014 54.072 -20.514 1.00 37.87 ? ? ? ? ? ? 201 LYS A CB 1 -ATOM 2786 C CG . LYS E 3 201 ? 11.402 53.850 -21.875 1.00 38.90 ? ? ? ? ? ? 201 LYS A CG 1 -ATOM 2787 C CD . LYS E 3 201 ? 11.902 52.585 -22.569 1.00 43.23 ? ? ? ? ? ? 201 LYS A CD 1 -ATOM 2788 C CE . LYS E 3 201 ? 11.087 52.226 -23.844 1.00 44.23 ? ? ? ? ? ? 201 LYS A CE 1 -ATOM 2789 N NZ . LYS E 3 201 ? 11.620 50.970 -24.482 1.00 41.29 ? ? ? ? ? ? 201 LYS A NZ 1 -ATOM 2790 N N . THR E 3 202 ? 14.944 52.558 -19.840 1.00 28.72 ? ? ? ? ? ? 202 THR A N 1 -ATOM 2791 C CA . THR E 3 202 ? 15.822 51.453 -20.150 1.00 19.94 ? ? ? ? ? ? 202 THR A CA 1 -ATOM 2792 C C . THR E 3 202 ? 15.253 50.205 -19.575 1.00 18.34 ? ? ? ? ? ? 202 THR A C 1 -ATOM 2793 O O . THR E 3 202 ? 14.516 50.265 -18.598 1.00 18.19 ? ? ? ? ? ? 202 THR A O 1 -ATOM 2794 C CB . THR E 3 202 ? 17.185 51.635 -19.551 1.00 18.10 ? ? ? ? ? ? 202 THR A CB 1 -ATOM 2795 O OG1 . THR E 3 202 ? 17.719 52.896 -19.955 1.00 22.06 ? ? ? ? ? ? 202 THR A OG1 1 -ATOM 2796 C CG2 . THR E 3 202 ? 18.123 50.582 -20.051 1.00 16.92 ? ? ? ? ? ? 202 THR A CG2 1 -ATOM 2797 N N . ILE E 3 203 ? 15.571 49.082 -20.193 1.00 12.33 ? ? ? ? ? ? 203 ILE A N 1 -ATOM 2798 C CA . ILE E 3 203 ? 15.131 47.801 -19.689 1.00 17.49 ? ? ? ? ? ? 203 ILE A CA 1 -ATOM 2799 C C . ILE E 3 203 ? 16.394 47.051 -19.385 1.00 20.87 ? ? ? ? ? ? 203 ILE A C 1 -ATOM 2800 O O . ILE E 3 203 ? 17.320 47.026 -20.205 1.00 25.38 ? ? ? ? ? ? 203 ILE A O 1 -ATOM 2801 C CB . ILE E 3 203 ? 14.324 46.957 -20.731 1.00 30.93 ? ? ? ? ? ? 203 ILE A CB 1 -ATOM 2802 C CG1 . ILE E 3 203 ? 12.945 47.573 -20.950 1.00 29.56 ? ? ? ? ? ? 203 ILE A CG1 1 -ATOM 2803 C CG2 . ILE E 3 203 ? 14.214 45.513 -20.253 1.00 29.31 ? ? ? ? ? ? 203 ILE A CG2 1 -ATOM 2804 C CD1 . ILE E 3 203 ? 12.963 48.788 -21.845 1.00 39.12 ? ? ? ? ? ? 203 ILE A CD1 1 -ATOM 2805 N N . VAL E 3 204 ? 16.475 46.493 -18.189 1.00 22.88 ? ? ? ? ? ? 204 VAL A N 1 -ATOM 2806 C CA . VAL E 3 204 ? 17.632 45.693 -17.845 1.00 19.38 ? ? ? ? ? ? 204 VAL A CA 1 -ATOM 2807 C C . VAL E 3 204 ? 17.099 44.261 -18.011 1.00 24.35 ? ? ? ? ? ? 204 VAL A C 1 -ATOM 2808 O O . VAL E 3 204 ? 15.936 43.974 -17.640 1.00 14.54 ? ? ? ? ? ? 204 VAL A O 1 -ATOM 2809 C CB . VAL E 3 204 ? 18.048 45.966 -16.394 1.00 18.13 ? ? ? ? ? ? 204 VAL A CB 1 -ATOM 2810 C CG1 . VAL E 3 204 ? 19.384 45.296 -16.098 1.00 21.20 ? ? ? ? ? ? 204 VAL A CG1 1 -ATOM 2811 C CG2 . VAL E 3 204 ? 18.130 47.463 -16.174 1.00 29.06 ? ? ? ? ? ? 204 VAL A CG2 1 -ATOM 2812 N N . VAL E 3 205 ? 17.949 43.395 -18.564 1.00 26.57 ? ? ? ? ? ? 205 VAL A N 1 -ATOM 2813 C CA . VAL E 3 205 ? 17.664 41.974 -18.886 1.00 29.35 ? ? ? ? ? ? 205 VAL A CA 1 -ATOM 2814 C C . VAL E 3 205 ? 17.006 41.936 -20.263 1.00 30.49 ? ? ? ? ? ? 205 VAL A C 1 -ATOM 2815 O O . VAL E 3 205 ? 15.794 42.006 -20.424 1.00 24.27 ? ? ? ? ? ? 205 VAL A O 1 -ATOM 2816 C CB . VAL E 3 205 ? 16.729 41.301 -17.811 1.00 27.54 ? ? ? ? ? ? 205 VAL A CB 1 -ATOM 2817 C CG1 . VAL E 3 205 ? 16.268 39.902 -18.225 1.00 28.28 ? ? ? ? ? ? 205 VAL A CG1 1 -ATOM 2818 C CG2 . VAL E 3 205 ? 17.522 41.095 -16.563 1.00 34.11 ? ? ? ? ? ? 205 VAL A CG2 1 -ATOM 2819 N N . TYR E 3 206 ? 17.893 41.873 -21.254 1.00 37.63 ? ? ? ? ? ? 206 TYR A N 1 -ATOM 2820 C CA . TYR E 3 206 ? 17.576 41.828 -22.675 1.00 43.47 ? ? ? ? ? ? 206 TYR A CA 1 -ATOM 2821 C C . TYR E 3 206 ? 16.423 42.716 -23.135 1.00 48.68 ? ? ? ? ? ? 206 TYR A C 1 -ATOM 2822 O O . TYR E 3 206 ? 15.748 43.405 -22.345 1.00 48.78 ? ? ? ? ? ? 206 TYR A O 1 -ATOM 2823 C CB . TYR E 3 206 ? 17.299 40.342 -23.109 1.00 55.00 ? ? ? ? ? ? 206 TYR A CB 1 -ATOM 2824 C CG . TYR E 3 206 ? 15.950 39.653 -22.778 1.00 55.00 ? ? ? ? ? ? 206 TYR A CG 1 -ATOM 2825 C CD1 . TYR E 3 206 ? 15.838 38.702 -21.750 1.00 55.00 ? ? ? ? ? ? 206 TYR A CD1 1 -ATOM 2826 C CD2 . TYR E 3 206 ? 14.797 39.941 -23.516 1.00 55.00 ? ? ? ? ? ? 206 TYR A CD2 1 -ATOM 2827 C CE1 . TYR E 3 206 ? 14.603 38.048 -21.479 1.00 54.50 ? ? ? ? ? ? 206 TYR A CE1 1 -ATOM 2828 C CE2 . TYR E 3 206 ? 13.568 39.302 -23.258 1.00 55.00 ? ? ? ? ? ? 206 TYR A CE2 1 -ATOM 2829 C CZ . TYR E 3 206 ? 13.467 38.360 -22.242 1.00 55.00 ? ? ? ? ? ? 206 TYR A CZ 1 -ATOM 2830 O OH . TYR E 3 206 ? 12.219 37.750 -22.026 1.00 55.00 ? ? ? ? ? ? 206 TYR A OH 1 -ATOM 2831 N N . GLY E 3 207 ? 16.218 42.703 -24.439 1.00 50.28 ? ? ? ? ? ? 207 GLY A N 1 -ATOM 2832 C CA . GLY E 3 207 ? 15.171 43.510 -25.023 1.00 48.38 ? ? ? ? ? ? 207 GLY A CA 1 -ATOM 2833 C C . GLY E 3 207 ? 15.777 44.266 -26.180 1.00 48.90 ? ? ? ? ? ? 207 GLY A C 1 -ATOM 2834 O O . GLY E 3 207 ? 15.061 45.093 -26.801 1.00 48.99 ? ? ? ? ? ? 207 GLY A O 1 -ATOM 2835 N N . PRO F 3 9 ? 32.458 55.919 32.757 1.00 37.76 ? ? ? ? ? ? 9 PRO B N 1 -ATOM 2836 C CA . PRO F 3 9 ? 31.061 56.308 33.040 1.00 42.32 ? ? ? ? ? ? 9 PRO B CA 1 -ATOM 2837 C C . PRO F 3 9 ? 30.110 55.175 32.674 1.00 42.87 ? ? ? ? ? ? 9 PRO B C 1 -ATOM 2838 O O . PRO F 3 9 ? 29.905 54.235 33.456 1.00 39.62 ? ? ? ? ? ? 9 PRO B O 1 -ATOM 2839 C CB . PRO F 3 9 ? 30.821 57.571 32.223 1.00 40.69 ? ? ? ? ? ? 9 PRO B CB 1 -ATOM 2840 C CG . PRO F 3 9 ? 31.619 57.247 30.946 1.00 41.95 ? ? ? ? ? ? 9 PRO B CG 1 -ATOM 2841 C CD . PRO F 3 9 ? 32.907 56.647 31.525 1.00 43.10 ? ? ? ? ? ? 9 PRO B CD 1 -ATOM 2842 N N . THR F 3 10 ? 29.529 55.270 31.484 1.00 43.95 ? ? ? ? ? ? 10 THR B N 1 -ATOM 2843 C CA . THR F 3 10 ? 28.632 54.234 30.999 1.00 40.86 ? ? ? ? ? ? 10 THR B CA 1 -ATOM 2844 C C . THR F 3 10 ? 29.481 53.006 30.641 1.00 36.55 ? ? ? ? ? ? 10 THR B C 1 -ATOM 2845 O O . THR F 3 10 ? 29.137 51.878 30.967 1.00 34.19 ? ? ? ? ? ? 10 THR B O 1 -ATOM 2846 C CB . THR F 3 10 ? 27.857 54.711 29.715 1.00 40.48 ? ? ? ? ? ? 10 THR B CB 1 -ATOM 2847 O OG1 . THR F 3 10 ? 27.258 55.990 29.938 1.00 35.33 ? ? ? ? ? ? 10 THR B OG1 1 -ATOM 2848 C CG2 . THR F 3 10 ? 26.755 53.755 29.376 1.00 34.81 ? ? ? ? ? ? 10 THR B CG2 1 -ATOM 2849 N N . LEU F 3 11 ? 30.621 53.270 30.002 1.00 33.11 ? ? ? ? ? ? 11 LEU B N 1 -ATOM 2850 C CA . LEU F 3 11 ? 31.501 52.225 29.469 1.00 36.38 ? ? ? ? ? ? 11 LEU B CA 1 -ATOM 2851 C C . LEU F 3 11 ? 31.904 51.108 30.418 1.00 38.94 ? ? ? ? ? ? 11 LEU B C 1 -ATOM 2852 O O . LEU F 3 11 ? 32.097 49.996 29.943 1.00 33.94 ? ? ? ? ? ? 11 LEU B O 1 -ATOM 2853 C CB . LEU F 3 11 ? 32.805 52.824 28.912 1.00 27.13 ? ? ? ? ? ? 11 LEU B CB 1 -ATOM 2854 C CG . LEU F 3 11 ? 32.748 53.835 27.772 1.00 23.02 ? ? ? ? ? ? 11 LEU B CG 1 -ATOM 2855 C CD1 . LEU F 3 11 ? 34.161 53.918 27.222 1.00 27.23 ? ? ? ? ? ? 11 LEU B CD1 1 -ATOM 2856 C CD2 . LEU F 3 11 ? 31.807 53.430 26.663 1.00 6.56 ? ? ? ? ? ? 11 LEU B CD2 1 -ATOM 2857 N N . GLU F 3 12 ? 32.042 51.370 31.723 1.00 44.43 ? ? ? ? ? ? 12 GLU B N 1 -ATOM 2858 C CA . GLU F 3 12 ? 32.478 50.310 32.626 1.00 40.52 ? ? ? ? ? ? 12 GLU B CA 1 -ATOM 2859 C C . GLU F 3 12 ? 31.400 49.304 32.887 1.00 33.49 ? ? ? ? ? ? 12 GLU B C 1 -ATOM 2860 O O . GLU F 3 12 ? 31.705 48.116 32.899 1.00 36.19 ? ? ? ? ? ? 12 GLU B O 1 -ATOM 2861 C CB . GLU F 3 12 ? 32.976 50.894 33.965 1.00 46.70 ? ? ? ? ? ? 12 GLU B CB 1 -ATOM 2862 C CG . GLU F 3 12 ? 34.478 51.375 33.932 1.00 47.64 ? ? ? ? ? ? 12 GLU B CG 1 -ATOM 2863 C CD . GLU F 3 12 ? 35.526 50.240 33.665 1.00 51.36 ? ? ? ? ? ? 12 GLU B CD 1 -ATOM 2864 O OE1 . GLU F 3 12 ? 35.124 49.076 33.400 1.00 52.48 ? ? ? ? ? ? 12 GLU B OE1 1 -ATOM 2865 O OE2 . GLU F 3 12 ? 36.759 50.496 33.726 1.00 50.54 ? ? ? ? ? ? 12 GLU B OE2 1 -ATOM 2866 N N . TRP F 3 13 ? 30.156 49.725 33.083 1.00 25.07 ? ? ? ? ? ? 13 TRP B N 1 -ATOM 2867 C CA . TRP F 3 13 ? 29.129 48.710 33.260 1.00 27.05 ? ? ? ? ? ? 13 TRP B CA 1 -ATOM 2868 C C . TRP F 3 13 ? 29.084 47.877 31.964 1.00 31.78 ? ? ? ? ? ? 13 TRP B C 1 -ATOM 2869 O O . TRP F 3 13 ? 28.862 46.654 31.996 1.00 37.55 ? ? ? ? ? ? 13 TRP B O 1 -ATOM 2870 C CB . TRP F 3 13 ? 27.762 49.348 33.511 1.00 26.56 ? ? ? ? ? ? 13 TRP B CB 1 -ATOM 2871 C CG . TRP F 3 13 ? 26.905 49.489 32.315 1.00 29.30 ? ? ? ? ? ? 13 TRP B CG 1 -ATOM 2872 C CD1 . TRP F 3 13 ? 27.130 50.276 31.229 1.00 27.96 ? ? ? ? ? ? 13 TRP B CD1 1 -ATOM 2873 C CD2 . TRP F 3 13 ? 25.660 48.824 32.077 1.00 30.19 ? ? ? ? ? ? 13 TRP B CD2 1 -ATOM 2874 N NE1 . TRP F 3 13 ? 26.103 50.154 30.317 1.00 27.93 ? ? ? ? ? ? 13 TRP B NE1 1 -ATOM 2875 C CE2 . TRP F 3 13 ? 25.183 49.269 30.810 1.00 39.66 ? ? ? ? ? ? 13 TRP B CE2 1 -ATOM 2876 C CE3 . TRP F 3 13 ? 24.896 47.899 32.806 1.00 27.46 ? ? ? ? ? ? 13 TRP B CE3 1 -ATOM 2877 C CZ2 . TRP F 3 13 ? 23.972 48.819 30.253 1.00 42.68 ? ? ? ? ? ? 13 TRP B CZ2 1 -ATOM 2878 C CZ3 . TRP F 3 13 ? 23.690 47.449 32.256 1.00 35.10 ? ? ? ? ? ? 13 TRP B CZ3 1 -ATOM 2879 C CH2 . TRP F 3 13 ? 23.243 47.913 30.988 1.00 43.87 ? ? ? ? ? ? 13 TRP B CH2 1 -ATOM 2880 N N . PHE F 3 14 ? 29.297 48.558 30.826 1.00 38.54 ? ? ? ? ? ? 14 PHE B N 1 -ATOM 2881 C CA . PHE F 3 14 ? 29.356 47.941 29.480 1.00 28.83 ? ? ? ? ? ? 14 PHE B CA 1 -ATOM 2882 C C . PHE F 3 14 ? 30.544 47.004 29.408 1.00 27.84 ? ? ? ? ? ? 14 PHE B C 1 -ATOM 2883 O O . PHE F 3 14 ? 30.401 45.804 29.175 1.00 28.90 ? ? ? ? ? ? 14 PHE B O 1 -ATOM 2884 C CB . PHE F 3 14 ? 29.518 49.032 28.378 1.00 30.58 ? ? ? ? ? ? 14 PHE B CB 1 -ATOM 2885 C CG . PHE F 3 14 ? 29.981 48.524 26.987 1.00 19.41 ? ? ? ? ? ? 14 PHE B CG 1 -ATOM 2886 C CD1 . PHE F 3 14 ? 29.073 48.013 26.063 1.00 17.79 ? ? ? ? ? ? 14 PHE B CD1 1 -ATOM 2887 C CD2 . PHE F 3 14 ? 31.321 48.543 26.652 1.00 13.08 ? ? ? ? ? ? 14 PHE B CD2 1 -ATOM 2888 C CE1 . PHE F 3 14 ? 29.489 47.537 24.866 1.00 14.72 ? ? ? ? ? ? 14 PHE B CE1 1 -ATOM 2889 C CE2 . PHE F 3 14 ? 31.736 48.073 25.472 1.00 13.06 ? ? ? ? ? ? 14 PHE B CE2 1 -ATOM 2890 C CZ . PHE F 3 14 ? 30.811 47.558 24.566 1.00 16.63 ? ? ? ? ? ? 14 PHE B CZ 1 -ATOM 2891 N N . LEU F 3 15 ? 31.710 47.570 29.681 1.00 17.39 ? ? ? ? ? ? 15 LEU B N 1 -ATOM 2892 C CA . LEU F 3 15 ? 32.948 46.865 29.526 1.00 22.60 ? ? ? ? ? ? 15 LEU B CA 1 -ATOM 2893 C C . LEU F 3 15 ? 33.068 45.781 30.536 1.00 24.82 ? ? ? ? ? ? 15 LEU B C 1 -ATOM 2894 O O . LEU F 3 15 ? 34.022 45.025 30.483 1.00 33.60 ? ? ? ? ? ? 15 LEU B O 1 -ATOM 2895 C CB . LEU F 3 15 ? 34.126 47.861 29.642 1.00 39.70 ? ? ? ? ? ? 15 LEU B CB 1 -ATOM 2896 C CG . LEU F 3 15 ? 35.397 47.719 28.729 1.00 53.90 ? ? ? ? ? ? 15 LEU B CG 1 -ATOM 2897 C CD1 . LEU F 3 15 ? 36.286 48.993 28.907 1.00 50.82 ? ? ? ? ? ? 15 LEU B CD1 1 -ATOM 2898 C CD2 . LEU F 3 15 ? 36.197 46.417 29.087 1.00 54.49 ? ? ? ? ? ? 15 LEU B CD2 1 -ATOM 2899 N N . SER F 3 16 ? 32.118 45.699 31.465 1.00 37.79 ? ? ? ? ? ? 16 SER B N 1 -ATOM 2900 C CA . SER F 3 16 ? 32.175 44.635 32.463 1.00 39.52 ? ? ? ? ? ? 16 SER B CA 1 -ATOM 2901 C C . SER F 3 16 ? 31.641 43.343 31.842 1.00 37.51 ? ? ? ? ? ? 16 SER B C 1 -ATOM 2902 O O . SER F 3 16 ? 32.288 42.302 31.899 1.00 39.32 ? ? ? ? ? ? 16 SER B O 1 -ATOM 2903 C CB . SER F 3 16 ? 31.343 45.027 33.740 1.00 41.54 ? ? ? ? ? ? 16 SER B CB 1 -ATOM 2904 O OG . SER F 3 16 ? 29.903 45.029 33.661 1.00 27.56 ? ? ? ? ? ? 16 SER B OG 1 -ATOM 2905 N N . HIS F 3 17 ? 30.493 43.437 31.192 1.00 34.03 ? ? ? ? ? ? 17 HIS B N 1 -ATOM 2906 C CA . HIS F 3 17 ? 29.834 42.292 30.577 1.00 34.83 ? ? ? ? ? ? 17 HIS B CA 1 -ATOM 2907 C C . HIS F 3 17 ? 30.555 41.664 29.381 1.00 35.60 ? ? ? ? ? ? 17 HIS B C 1 -ATOM 2908 O O . HIS F 3 17 ? 30.018 40.742 28.757 1.00 36.69 ? ? ? ? ? ? 17 HIS B O 1 -ATOM 2909 C CB . HIS F 3 17 ? 28.434 42.704 30.129 1.00 37.55 ? ? ? ? ? ? 17 HIS B CB 1 -ATOM 2910 C CG . HIS F 3 17 ? 27.521 43.070 31.257 1.00 47.45 ? ? ? ? ? ? 17 HIS B CG 1 -ATOM 2911 N ND1 . HIS F 3 17 ? 27.926 43.843 32.328 1.00 41.72 ? ? ? ? ? ? 17 HIS B ND1 1 -ATOM 2912 C CD2 . HIS F 3 17 ? 26.220 42.758 31.484 1.00 47.41 ? ? ? ? ? ? 17 HIS B CD2 1 -ATOM 2913 C CE1 . HIS F 3 17 ? 26.913 43.988 33.165 1.00 44.66 ? ? ? ? ? ? 17 HIS B CE1 1 -ATOM 2914 N NE2 . HIS F 3 17 ? 25.867 43.340 32.677 1.00 36.89 ? ? ? ? ? ? 17 HIS B NE2 1 -ATOM 2915 N N . CYS F 3 18 ? 31.743 42.135 29.029 1.00 35.27 ? ? ? ? ? ? 18 CYS B N 1 -ATOM 2916 C CA . CYS F 3 18 ? 32.412 41.573 27.848 1.00 41.77 ? ? ? ? ? ? 18 CYS B CA 1 -ATOM 2917 C C . CYS F 3 18 ? 33.527 40.563 28.133 1.00 36.56 ? ? ? ? ? ? 18 CYS B C 1 -ATOM 2918 O O . CYS F 3 18 ? 34.124 40.568 29.207 1.00 37.26 ? ? ? ? ? ? 18 CYS B O 1 -ATOM 2919 C CB . CYS F 3 18 ? 33.034 42.693 26.979 1.00 49.42 ? ? ? ? ? ? 18 CYS B CB 1 -ATOM 2920 S SG . CYS F 3 18 ? 31.923 43.822 26.055 1.00 41.66 ? ? ? ? ? ? 18 CYS B SG 1 -ATOM 2921 N N . HIS F 3 19 ? 33.803 39.694 27.162 1.00 25.23 ? ? ? ? ? ? 19 HIS B N 1 -ATOM 2922 C CA . HIS F 3 19 ? 34.932 38.799 27.287 1.00 22.22 ? ? ? ? ? ? 19 HIS B CA 1 -ATOM 2923 C C . HIS F 3 19 ? 36.066 39.503 26.587 1.00 21.14 ? ? ? ? ? ? 19 HIS B C 1 -ATOM 2924 O O . HIS F 3 19 ? 35.923 39.970 25.462 1.00 34.45 ? ? ? ? ? ? 19 HIS B O 1 -ATOM 2925 C CB . HIS F 3 19 ? 34.524 37.484 26.671 1.00 16.66 ? ? ? ? ? ? 19 HIS B CB 1 -ATOM 2926 C CG . HIS F 3 19 ? 33.458 36.834 27.491 1.00 31.62 ? ? ? ? ? ? 19 HIS B CG 1 -ATOM 2927 N ND1 . HIS F 3 19 ? 32.145 37.253 27.463 1.00 34.38 ? ? ? ? ? ? 19 HIS B ND1 1 -ATOM 2928 C CD2 . HIS F 3 19 ? 33.520 35.863 28.430 1.00 27.12 ? ? ? ? ? ? 19 HIS B CD2 1 -ATOM 2929 C CE1 . HIS F 3 19 ? 31.444 36.573 28.356 1.00 27.90 ? ? ? ? ? ? 19 HIS B CE1 1 -ATOM 2930 N NE2 . HIS F 3 19 ? 32.255 35.726 28.954 1.00 23.94 ? ? ? ? ? ? 19 HIS B NE2 1 -ATOM 2931 N N . ILE F 3 20 ? 37.188 39.622 27.257 1.00 13.35 ? ? ? ? ? ? 20 ILE B N 1 -ATOM 2932 C CA . ILE F 3 20 ? 38.245 40.424 26.695 1.00 10.09 ? ? ? ? ? ? 20 ILE B CA 1 -ATOM 2933 C C . ILE F 3 20 ? 39.350 39.611 26.046 1.00 15.22 ? ? ? ? ? ? 20 ILE B C 1 -ATOM 2934 O O . ILE F 3 20 ? 39.764 38.631 26.663 1.00 20.27 ? ? ? ? ? ? 20 ILE B O 1 -ATOM 2935 C CB . ILE F 3 20 ? 38.849 41.299 27.802 1.00 14.23 ? ? ? ? ? ? 20 ILE B CB 1 -ATOM 2936 C CG1 . ILE F 3 20 ? 37.699 41.896 28.659 1.00 16.48 ? ? ? ? ? ? 20 ILE B CG1 1 -ATOM 2937 C CG2 . ILE F 3 20 ? 39.787 42.345 27.166 1.00 12.88 ? ? ? ? ? ? 20 ILE B CG2 1 -ATOM 2938 C CD1 . ILE F 3 20 ? 36.555 42.638 27.965 1.00 16.05 ? ? ? ? ? ? 20 ILE B CD1 1 -ATOM 2939 N N . HIS F 3 21 ? 39.869 40.024 24.862 1.00 14.39 ? ? ? ? ? ? 21 HIS B N 1 -ATOM 2940 C CA . HIS F 3 21 ? 40.975 39.276 24.215 1.00 9.36 ? ? ? ? ? ? 21 HIS B CA 1 -ATOM 2941 C C . HIS F 3 21 ? 42.106 40.157 23.700 1.00 10.34 ? ? ? ? ? ? 21 HIS B C 1 -ATOM 2942 O O . HIS F 3 21 ? 41.943 41.314 23.339 1.00 15.95 ? ? ? ? ? ? 21 HIS B O 1 -ATOM 2943 C CB . HIS F 3 21 ? 40.477 38.436 23.008 1.00 22.76 ? ? ? ? ? ? 21 HIS B CB 1 -ATOM 2944 C CG . HIS F 3 21 ? 39.189 37.702 23.244 1.00 26.39 ? ? ? ? ? ? 21 HIS B CG 1 -ATOM 2945 N ND1 . HIS F 3 21 ? 37.955 38.266 22.981 1.00 33.20 ? ? ? ? ? ? 21 HIS B ND1 1 -ATOM 2946 C CD2 . HIS F 3 21 ? 38.940 36.453 23.705 1.00 34.96 ? ? ? ? ? ? 21 HIS B CD2 1 -ATOM 2947 C CE1 . HIS F 3 21 ? 37.003 37.395 23.264 1.00 32.45 ? ? ? ? ? ? 21 HIS B CE1 1 -ATOM 2948 N NE2 . HIS F 3 21 ? 37.573 36.287 23.706 1.00 35.08 ? ? ? ? ? ? 21 HIS B NE2 1 -ATOM 2949 N N . LYS F 3 22 ? 43.274 39.567 23.662 1.00 6.00 ? ? ? ? ? ? 22 LYS B N 1 -ATOM 2950 C CA . LYS F 3 22 ? 44.432 40.253 23.210 1.00 14.86 ? ? ? ? ? ? 22 LYS B CA 1 -ATOM 2951 C C . LYS F 3 22 ? 44.866 39.660 21.838 1.00 22.98 ? ? ? ? ? ? 22 LYS B C 1 -ATOM 2952 O O . LYS F 3 22 ? 45.241 38.490 21.754 1.00 38.29 ? ? ? ? ? ? 22 LYS B O 1 -ATOM 2953 C CB . LYS F 3 22 ? 45.559 40.098 24.248 1.00 21.82 ? ? ? ? ? ? 22 LYS B CB 1 -ATOM 2954 C CG . LYS F 3 22 ? 45.213 40.498 25.686 1.00 34.06 ? ? ? ? ? ? 22 LYS B CG 1 -ATOM 2955 C CD . LYS F 3 22 ? 46.432 40.936 26.557 1.00 36.98 ? ? ? ? ? ? 22 LYS B CD 1 -ATOM 2956 C CE . LYS F 3 22 ? 47.552 39.891 26.815 1.00 43.07 ? ? ? ? ? ? 22 LYS B CE 1 -ATOM 2957 N NZ . LYS F 3 22 ? 48.615 39.675 25.751 1.00 44.52 ? ? ? ? ? ? 22 LYS B NZ 1 -ATOM 2958 N N . TYR F 3 23 ? 44.788 40.435 20.760 1.00 18.00 ? ? ? ? ? ? 23 TYR B N 1 -ATOM 2959 C CA . TYR F 3 23 ? 45.190 39.969 19.449 1.00 14.94 ? ? ? ? ? ? 23 TYR B CA 1 -ATOM 2960 C C . TYR F 3 23 ? 46.593 40.414 19.156 1.00 14.27 ? ? ? ? ? ? 23 TYR B C 1 -ATOM 2961 O O . TYR F 3 23 ? 46.896 41.585 19.308 1.00 19.55 ? ? ? ? ? ? 23 TYR B O 1 -ATOM 2962 C CB . TYR F 3 23 ? 44.263 40.534 18.400 1.00 21.04 ? ? ? ? ? ? 23 TYR B CB 1 -ATOM 2963 C CG . TYR F 3 23 ? 42.893 39.944 18.419 1.00 16.74 ? ? ? ? ? ? 23 TYR B CG 1 -ATOM 2964 C CD1 . TYR F 3 23 ? 42.608 38.779 17.694 1.00 21.43 ? ? ? ? ? ? 23 TYR B CD1 1 -ATOM 2965 C CD2 . TYR F 3 23 ? 41.878 40.534 19.128 1.00 18.40 ? ? ? ? ? ? 23 TYR B CD2 1 -ATOM 2966 C CE1 . TYR F 3 23 ? 41.326 38.222 17.683 1.00 14.61 ? ? ? ? ? ? 23 TYR B CE1 1 -ATOM 2967 C CE2 . TYR F 3 23 ? 40.593 39.977 19.118 1.00 18.09 ? ? ? ? ? ? 23 TYR B CE2 1 -ATOM 2968 C CZ . TYR F 3 23 ? 40.344 38.828 18.390 1.00 6.00 ? ? ? ? ? ? 23 TYR B CZ 1 -ATOM 2969 O OH . TYR F 3 23 ? 39.087 38.327 18.342 1.00 14.48 ? ? ? ? ? ? 23 TYR B OH 1 -ATOM 2970 N N . PRO F 3 24 ? 47.478 39.502 18.755 1.00 6.77 ? ? ? ? ? ? 24 PRO B N 1 -ATOM 2971 C CA . PRO F 3 24 ? 48.831 39.891 18.326 1.00 8.53 ? ? ? ? ? ? 24 PRO B CA 1 -ATOM 2972 C C . PRO F 3 24 ? 48.743 40.735 17.073 1.00 11.19 ? ? ? ? ? ? 24 PRO B C 1 -ATOM 2973 O O . PRO F 3 24 ? 47.733 40.685 16.377 1.00 9.24 ? ? ? ? ? ? 24 PRO B O 1 -ATOM 2974 C CB . PRO F 3 24 ? 49.538 38.553 18.130 1.00 6.00 ? ? ? ? ? ? 24 PRO B CB 1 -ATOM 2975 C CG . PRO F 3 24 ? 48.407 37.704 17.602 1.00 9.82 ? ? ? ? ? ? 24 PRO B CG 1 -ATOM 2976 C CD . PRO F 3 24 ? 47.328 38.035 18.651 1.00 8.28 ? ? ? ? ? ? 24 PRO B CD 1 -ATOM 2977 N N . SER F 3 25 ? 49.771 41.501 16.770 1.00 13.72 ? ? ? ? ? ? 25 SER B N 1 -ATOM 2978 C CA . SER F 3 25 ? 49.722 42.307 15.561 1.00 21.63 ? ? ? ? ? ? 25 SER B CA 1 -ATOM 2979 C C . SER F 3 25 ? 49.718 41.439 14.294 1.00 17.59 ? ? ? ? ? ? 25 SER B C 1 -ATOM 2980 O O . SER F 3 25 ? 50.435 40.447 14.196 1.00 23.55 ? ? ? ? ? ? 25 SER B O 1 -ATOM 2981 C CB . SER F 3 25 ? 50.914 43.246 15.524 1.00 19.72 ? ? ? ? ? ? 25 SER B CB 1 -ATOM 2982 O OG . SER F 3 25 ? 52.113 42.521 15.645 1.00 31.54 ? ? ? ? ? ? 25 SER B OG 1 -ATOM 2983 N N . LYS F 3 26 ? 48.887 41.871 13.352 1.00 19.23 ? ? ? ? ? ? 26 LYS B N 1 -ATOM 2984 C CA . LYS F 3 26 ? 48.616 41.300 12.024 1.00 20.75 ? ? ? ? ? ? 26 LYS B CA 1 -ATOM 2985 C C . LYS F 3 26 ? 47.551 40.231 12.078 1.00 16.14 ? ? ? ? ? ? 26 LYS B C 1 -ATOM 2986 O O . LYS F 3 26 ? 47.210 39.642 11.055 1.00 18.18 ? ? ? ? ? ? 26 LYS B O 1 -ATOM 2987 C CB . LYS F 3 26 ? 49.895 40.709 11.407 1.00 25.50 ? ? ? ? ? ? 26 LYS B CB 1 -ATOM 2988 C CG . LYS F 3 26 ? 49.710 39.829 10.156 1.00 40.29 ? ? ? ? ? ? 26 LYS B CG 1 -ATOM 2989 C CD . LYS F 3 26 ? 49.004 40.462 8.917 1.00 34.06 ? ? ? ? ? ? 26 LYS B CD 1 -ATOM 2990 C CE . LYS F 3 26 ? 49.688 41.738 8.396 1.00 33.90 ? ? ? ? ? ? 26 LYS B CE 1 -ATOM 2991 N NZ . LYS F 3 26 ? 51.180 41.653 8.255 1.00 31.77 ? ? ? ? ? ? 26 LYS B NZ 1 -ATOM 2992 N N . SER F 3 27 ? 46.969 39.987 13.248 1.00 17.89 ? ? ? ? ? ? 27 SER B N 1 -ATOM 2993 C CA . SER F 3 27 ? 45.950 38.946 13.231 1.00 16.83 ? ? ? ? ? ? 27 SER B CA 1 -ATOM 2994 C C . SER F 3 27 ? 44.657 39.424 12.561 1.00 19.61 ? ? ? ? ? ? 27 SER B C 1 -ATOM 2995 O O . SER F 3 27 ? 44.398 40.603 12.302 1.00 9.87 ? ? ? ? ? ? 27 SER B O 1 -ATOM 2996 C CB . SER F 3 27 ? 45.651 38.421 14.676 1.00 15.62 ? ? ? ? ? ? 27 SER B CB 1 -ATOM 2997 O OG . SER F 3 27 ? 45.285 39.360 15.681 1.00 13.75 ? ? ? ? ? ? 27 SER B OG 1 -ATOM 2998 N N . THR F 3 28 ? 43.825 38.462 12.260 1.00 21.25 ? ? ? ? ? ? 28 THR B N 1 -ATOM 2999 C CA . THR F 3 28 ? 42.620 38.758 11.555 1.00 20.93 ? ? ? ? ? ? 28 THR B CA 1 -ATOM 3000 C C . THR F 3 28 ? 41.431 38.665 12.505 1.00 25.98 ? ? ? ? ? ? 28 THR B C 1 -ATOM 3001 O O . THR F 3 28 ? 40.951 37.562 12.795 1.00 31.52 ? ? ? ? ? ? 28 THR B O 1 -ATOM 3002 C CB . THR F 3 28 ? 42.567 37.767 10.385 1.00 15.71 ? ? ? ? ? ? 28 THR B CB 1 -ATOM 3003 O OG1 . THR F 3 28 ? 43.717 37.982 9.540 1.00 13.94 ? ? ? ? ? ? 28 THR B OG1 1 -ATOM 3004 C CG2 . THR F 3 28 ? 41.322 37.932 9.610 1.00 9.93 ? ? ? ? ? ? 28 THR B CG2 1 -ATOM 3005 N N . LEU F 3 29 ? 40.975 39.817 13.011 1.00 18.06 ? ? ? ? ? ? 29 LEU B N 1 -ATOM 3006 C CA . LEU F 3 29 ? 39.830 39.864 13.918 1.00 9.45 ? ? ? ? ? ? 29 LEU B CA 1 -ATOM 3007 C C . LEU F 3 29 ? 38.568 39.478 13.247 1.00 6.00 ? ? ? ? ? ? 29 LEU B C 1 -ATOM 3008 O O . LEU F 3 29 ? 37.780 38.767 13.826 1.00 7.91 ? ? ? ? ? ? 29 LEU B O 1 -ATOM 3009 C CB . LEU F 3 29 ? 39.578 41.250 14.484 1.00 10.97 ? ? ? ? ? ? 29 LEU B CB 1 -ATOM 3010 C CG . LEU F 3 29 ? 40.511 42.023 15.422 1.00 22.39 ? ? ? ? ? ? 29 LEU B CG 1 -ATOM 3011 C CD1 . LEU F 3 29 ? 39.795 42.264 16.788 1.00 13.40 ? ? ? ? ? ? 29 LEU B CD1 1 -ATOM 3012 C CD2 . LEU F 3 29 ? 41.848 41.277 15.479 1.00 6.00 ? ? ? ? ? ? 29 LEU B CD2 1 -ATOM 3013 N N . ILE F 3 30 ? 38.361 39.981 12.031 1.00 8.21 ? ? ? ? ? ? 30 ILE B N 1 -ATOM 3014 C CA . ILE F 3 30 ? 37.118 39.760 11.280 1.00 6.64 ? ? ? ? ? ? 30 ILE B CA 1 -ATOM 3015 C C . ILE F 3 30 ? 37.375 39.366 9.802 1.00 14.50 ? ? ? ? ? ? 30 ILE B C 1 -ATOM 3016 O O . ILE F 3 30 ? 38.346 39.835 9.198 1.00 8.89 ? ? ? ? ? ? 30 ILE B O 1 -ATOM 3017 C CB . ILE F 3 30 ? 36.272 41.042 11.312 1.00 12.51 ? ? ? ? ? ? 30 ILE B CB 1 -ATOM 3018 C CG1 . ILE F 3 30 ? 35.933 41.408 12.752 1.00 12.57 ? ? ? ? ? ? 30 ILE B CG1 1 -ATOM 3019 C CG2 . ILE F 3 30 ? 35.016 40.842 10.538 1.00 10.78 ? ? ? ? ? ? 30 ILE B CG2 1 -ATOM 3020 C CD1 . ILE F 3 30 ? 34.920 42.511 12.843 1.00 6.00 ? ? ? ? ? ? 30 ILE B CD1 1 -ATOM 3021 N N . HIS F 3 31 ? 36.509 38.514 9.235 1.00 7.83 ? ? ? ? ? ? 31 HIS B N 1 -ATOM 3022 C CA . HIS F 3 31 ? 36.632 38.072 7.842 1.00 14.58 ? ? ? ? ? ? 31 HIS B CA 1 -ATOM 3023 C C . HIS F 3 31 ? 35.425 38.523 7.030 1.00 17.66 ? ? ? ? ? ? 31 HIS B C 1 -ATOM 3024 O O . HIS F 3 31 ? 34.288 38.497 7.512 1.00 24.15 ? ? ? ? ? ? 31 HIS B O 1 -ATOM 3025 C CB . HIS F 3 31 ? 36.697 36.523 7.700 1.00 31.78 ? ? ? ? ? ? 31 HIS B CB 1 -ATOM 3026 C CG . HIS F 3 31 ? 38.009 35.895 8.074 1.00 37.88 ? ? ? ? ? ? 31 HIS B CG 1 -ATOM 3027 N ND1 . HIS F 3 31 ? 38.341 35.561 9.372 1.00 39.86 ? ? ? ? ? ? 31 HIS B ND1 1 -ATOM 3028 C CD2 . HIS F 3 31 ? 39.070 35.531 7.310 1.00 46.34 ? ? ? ? ? ? 31 HIS B CD2 1 -ATOM 3029 C CE1 . HIS F 3 31 ? 39.549 35.021 9.390 1.00 41.14 ? ? ? ? ? ? 31 HIS B CE1 1 -ATOM 3030 N NE2 . HIS F 3 31 ? 40.015 34.991 8.154 1.00 37.98 ? ? ? ? ? ? 31 HIS B NE2 1 -ATOM 3031 N N . GLN F 3 32 ? 35.636 38.909 5.781 1.00 23.12 ? ? ? ? ? ? 32 GLN B N 1 -ATOM 3032 C CA . GLN F 3 32 ? 34.471 39.302 5.006 1.00 27.47 ? ? ? ? ? ? 32 GLN B CA 1 -ATOM 3033 C C . GLN F 3 32 ? 33.542 38.136 4.834 1.00 27.10 ? ? ? ? ? ? 32 GLN B C 1 -ATOM 3034 O O . GLN F 3 32 ? 34.002 37.025 4.604 1.00 38.08 ? ? ? ? ? ? 32 GLN B O 1 -ATOM 3035 C CB . GLN F 3 32 ? 34.827 39.783 3.605 1.00 32.49 ? ? ? ? ? ? 32 GLN B CB 1 -ATOM 3036 C CG . GLN F 3 32 ? 35.245 41.228 3.504 1.00 39.62 ? ? ? ? ? ? 32 GLN B CG 1 -ATOM 3037 C CD . GLN F 3 32 ? 34.943 41.821 2.134 1.00 38.88 ? ? ? ? ? ? 32 GLN B CD 1 -ATOM 3038 O OE1 . GLN F 3 32 ? 33.786 41.847 1.705 1.00 35.87 ? ? ? ? ? ? 32 GLN B OE1 1 -ATOM 3039 N NE2 . GLN F 3 32 ? 35.977 42.309 1.445 1.00 43.99 ? ? ? ? ? ? 32 GLN B NE2 1 -ATOM 3040 N N . GLY F 3 33 ? 32.251 38.383 4.985 1.00 19.84 ? ? ? ? ? ? 33 GLY B N 1 -ATOM 3041 C CA . GLY F 3 33 ? 31.256 37.359 4.727 1.00 14.69 ? ? ? ? ? ? 33 GLY B CA 1 -ATOM 3042 C C . GLY F 3 33 ? 30.890 36.465 5.891 1.00 18.41 ? ? ? ? ? ? 33 GLY B C 1 -ATOM 3043 O O . GLY F 3 33 ? 29.826 35.823 5.820 1.00 21.70 ? ? ? ? ? ? 33 GLY B O 1 -ATOM 3044 N N . GLU F 3 34 ? 31.728 36.395 6.927 1.00 11.40 ? ? ? ? ? ? 34 GLU B N 1 -ATOM 3045 C CA . GLU F 3 34 ? 31.463 35.538 8.085 1.00 11.02 ? ? ? ? ? ? 34 GLU B CA 1 -ATOM 3046 C C . GLU F 3 34 ? 30.179 36.038 8.678 1.00 11.20 ? ? ? ? ? ? 34 GLU B C 1 -ATOM 3047 O O . GLU F 3 34 ? 29.910 37.206 8.539 1.00 24.91 ? ? ? ? ? ? 34 GLU B O 1 -ATOM 3048 C CB . GLU F 3 34 ? 32.698 35.651 9.006 1.00 20.14 ? ? ? ? ? ? 34 GLU B CB 1 -ATOM 3049 C CG . GLU F 3 34 ? 32.679 35.007 10.403 1.00 37.34 ? ? ? ? ? ? 34 GLU B CG 1 -ATOM 3050 C CD . GLU F 3 34 ? 32.150 35.977 11.461 1.00 41.39 ? ? ? ? ? ? 34 GLU B CD 1 -ATOM 3051 O OE1 . GLU F 3 34 ? 30.928 35.972 11.661 1.00 36.54 ? ? ? ? ? ? 34 GLU B OE1 1 -ATOM 3052 O OE2 . GLU F 3 34 ? 32.944 36.754 12.073 1.00 37.97 ? ? ? ? ? ? 34 GLU B OE2 1 -ATOM 3053 N N . LYS F 3 35 ? 29.359 35.184 9.294 1.00 29.11 ? ? ? ? ? ? 35 LYS B N 1 -ATOM 3054 C CA . LYS F 3 35 ? 28.042 35.638 9.800 1.00 34.78 ? ? ? ? ? ? 35 LYS B CA 1 -ATOM 3055 C C . LYS F 3 35 ? 28.166 36.400 11.121 1.00 35.60 ? ? ? ? ? ? 35 LYS B C 1 -ATOM 3056 O O . LYS F 3 35 ? 28.685 35.915 12.129 1.00 29.45 ? ? ? ? ? ? 35 LYS B O 1 -ATOM 3057 C CB . LYS F 3 35 ? 27.069 34.423 9.962 1.00 33.41 ? ? ? ? ? ? 35 LYS B CB 1 -ATOM 3058 C CG . LYS F 3 35 ? 27.248 33.480 11.157 1.00 26.13 ? ? ? ? ? ? 35 LYS B CG 1 -ATOM 3059 C CD . LYS F 3 35 ? 28.690 32.949 11.277 1.00 41.93 ? ? ? ? ? ? 35 LYS B CD 1 -ATOM 3060 C CE . LYS F 3 35 ? 29.021 31.600 10.585 1.00 46.62 ? ? ? ? ? ? 35 LYS B CE 1 -ATOM 3061 N NZ . LYS F 3 35 ? 28.726 30.406 11.477 1.00 44.71 ? ? ? ? ? ? 35 LYS B NZ 1 -ATOM 3062 N N . ALA F 3 36 ? 27.643 37.619 11.074 1.00 37.64 ? ? ? ? ? ? 36 ALA B N 1 -ATOM 3063 C CA . ALA F 3 36 ? 27.747 38.576 12.148 1.00 33.60 ? ? ? ? ? ? 36 ALA B CA 1 -ATOM 3064 C C . ALA F 3 36 ? 26.949 38.271 13.383 1.00 29.25 ? ? ? ? ? ? 36 ALA B C 1 -ATOM 3065 O O . ALA F 3 36 ? 25.741 38.420 13.363 1.00 26.96 ? ? ? ? ? ? 36 ALA B O 1 -ATOM 3066 C CB . ALA F 3 36 ? 27.347 39.900 11.624 1.00 27.74 ? ? ? ? ? ? 36 ALA B CB 1 -ATOM 3067 N N . GLU F 3 37 ? 27.636 37.904 14.467 1.00 37.26 ? ? ? ? ? ? 37 GLU B N 1 -ATOM 3068 C CA . GLU F 3 37 ? 26.992 37.622 15.753 1.00 37.40 ? ? ? ? ? ? 37 GLU B CA 1 -ATOM 3069 C C . GLU F 3 37 ? 27.598 38.398 16.951 1.00 35.41 ? ? ? ? ? ? 37 GLU B C 1 -ATOM 3070 O O . GLU F 3 37 ? 26.900 38.592 17.954 1.00 34.05 ? ? ? ? ? ? 37 GLU B O 1 -ATOM 3071 C CB . GLU F 3 37 ? 27.069 36.124 16.067 1.00 34.07 ? ? ? ? ? ? 37 GLU B CB 1 -ATOM 3072 C CG . GLU F 3 37 ? 25.950 35.680 16.987 1.00 44.03 ? ? ? ? ? ? 37 GLU B CG 1 -ATOM 3073 C CD . GLU F 3 37 ? 24.600 35.877 16.308 1.00 50.13 ? ? ? ? ? ? 37 GLU B CD 1 -ATOM 3074 O OE1 . GLU F 3 37 ? 24.542 35.590 15.087 1.00 53.63 ? ? ? ? ? ? 37 GLU B OE1 1 -ATOM 3075 O OE2 . GLU F 3 37 ? 23.613 36.313 16.957 1.00 45.09 ? ? ? ? ? ? 37 GLU B OE2 1 -ATOM 3076 N N . THR F 3 38 ? 28.856 38.842 16.861 1.00 27.87 ? ? ? ? ? ? 38 THR B N 1 -ATOM 3077 C CA . THR F 3 38 ? 29.537 39.546 17.968 1.00 26.76 ? ? ? ? ? ? 38 THR B CA 1 -ATOM 3078 C C . THR F 3 38 ? 29.883 41.022 17.769 1.00 25.94 ? ? ? ? ? ? 38 THR B C 1 -ATOM 3079 O O . THR F 3 38 ? 30.399 41.380 16.714 1.00 25.29 ? ? ? ? ? ? 38 THR B O 1 -ATOM 3080 C CB . THR F 3 38 ? 30.837 38.899 18.285 1.00 29.73 ? ? ? ? ? ? 38 THR B CB 1 -ATOM 3081 O OG1 . THR F 3 38 ? 31.516 38.660 17.043 1.00 36.73 ? ? ? ? ? ? 38 THR B OG1 1 -ATOM 3082 C CG2 . THR F 3 38 ? 30.638 37.596 19.036 1.00 46.43 ? ? ? ? ? ? 38 THR B CG2 1 -ATOM 3083 N N . LEU F 3 39 ? 29.636 41.875 18.766 1.00 20.30 ? ? ? ? ? ? 39 LEU B N 1 -ATOM 3084 C CA . LEU F 3 39 ? 30.067 43.285 18.663 1.00 19.19 ? ? ? ? ? ? 39 LEU B CA 1 -ATOM 3085 C C . LEU F 3 39 ? 31.437 43.296 19.303 1.00 19.01 ? ? ? ? ? ? 39 LEU B C 1 -ATOM 3086 O O . LEU F 3 39 ? 31.714 42.361 20.046 1.00 30.91 ? ? ? ? ? ? 39 LEU B O 1 -ATOM 3087 C CB . LEU F 3 39 ? 29.139 44.271 19.445 1.00 18.04 ? ? ? ? ? ? 39 LEU B CB 1 -ATOM 3088 C CG . LEU F 3 39 ? 29.412 45.805 19.280 1.00 29.51 ? ? ? ? ? ? 39 LEU B CG 1 -ATOM 3089 C CD1 . LEU F 3 39 ? 29.040 46.325 17.857 1.00 18.65 ? ? ? ? ? ? 39 LEU B CD1 1 -ATOM 3090 C CD2 . LEU F 3 39 ? 28.502 46.573 20.236 1.00 24.87 ? ? ? ? ? ? 39 LEU B CD2 1 -ATOM 3091 N N . TYR F 3 40 ? 32.296 44.277 19.021 1.00 13.99 ? ? ? ? ? ? 40 TYR B N 1 -ATOM 3092 C CA . TYR F 3 40 ? 33.615 44.346 19.666 1.00 12.21 ? ? ? ? ? ? 40 TYR B CA 1 -ATOM 3093 C C . TYR F 3 40 ? 33.865 45.747 20.132 1.00 18.07 ? ? ? ? ? ? 40 TYR B C 1 -ATOM 3094 O O . TYR F 3 40 ? 33.082 46.648 19.864 1.00 23.15 ? ? ? ? ? ? 40 TYR B O 1 -ATOM 3095 C CB . TYR F 3 40 ? 34.808 44.036 18.761 1.00 12.84 ? ? ? ? ? ? 40 TYR B CB 1 -ATOM 3096 C CG . TYR F 3 40 ? 34.866 42.655 18.160 1.00 25.14 ? ? ? ? ? ? 40 TYR B CG 1 -ATOM 3097 C CD1 . TYR F 3 40 ? 33.798 42.141 17.429 1.00 23.50 ? ? ? ? ? ? 40 TYR B CD1 1 -ATOM 3098 C CD2 . TYR F 3 40 ? 36.007 41.873 18.281 1.00 21.33 ? ? ? ? ? ? 40 TYR B CD2 1 -ATOM 3099 C CE1 . TYR F 3 40 ? 33.876 40.888 16.835 1.00 27.68 ? ? ? ? ? ? 40 TYR B CE1 1 -ATOM 3100 C CE2 . TYR F 3 40 ? 36.095 40.638 17.696 1.00 17.24 ? ? ? ? ? ? 40 TYR B CE2 1 -ATOM 3101 C CZ . TYR F 3 40 ? 35.035 40.148 16.974 1.00 25.99 ? ? ? ? ? ? 40 TYR B CZ 1 -ATOM 3102 O OH . TYR F 3 40 ? 35.131 38.920 16.360 1.00 37.56 ? ? ? ? ? ? 40 TYR B OH 1 -ATOM 3103 N N . TYR F 3 41 ? 34.989 45.912 20.810 1.00 17.64 ? ? ? ? ? ? 41 TYR B N 1 -ATOM 3104 C CA . TYR F 3 41 ? 35.390 47.188 21.323 1.00 18.09 ? ? ? ? ? ? 41 TYR B CA 1 -ATOM 3105 C C . TYR F 3 41 ? 36.905 47.137 21.464 1.00 19.55 ? ? ? ? ? ? 41 TYR B C 1 -ATOM 3106 O O . TYR F 3 41 ? 37.493 46.182 21.980 1.00 20.17 ? ? ? ? ? ? 41 TYR B O 1 -ATOM 3107 C CB . TYR F 3 41 ? 34.744 47.478 22.709 1.00 16.69 ? ? ? ? ? ? 41 TYR B CB 1 -ATOM 3108 C CG . TYR F 3 41 ? 34.989 48.923 23.223 1.00 21.47 ? ? ? ? ? ? 41 TYR B CG 1 -ATOM 3109 C CD1 . TYR F 3 41 ? 36.216 49.298 23.795 1.00 24.01 ? ? ? ? ? ? 41 TYR B CD1 1 -ATOM 3110 C CD2 . TYR F 3 41 ? 34.019 49.924 23.067 1.00 24.72 ? ? ? ? ? ? 41 TYR B CD2 1 -ATOM 3111 C CE1 . TYR F 3 41 ? 36.472 50.630 24.190 1.00 28.20 ? ? ? ? ? ? 41 TYR B CE1 1 -ATOM 3112 C CE2 . TYR F 3 41 ? 34.257 51.251 23.454 1.00 18.88 ? ? ? ? ? ? 41 TYR B CE2 1 -ATOM 3113 C CZ . TYR F 3 41 ? 35.489 51.603 24.008 1.00 26.14 ? ? ? ? ? ? 41 TYR B CZ 1 -ATOM 3114 O OH . TYR F 3 41 ? 35.754 52.921 24.322 1.00 18.15 ? ? ? ? ? ? 41 TYR B OH 1 -ATOM 3115 N N . ILE F 3 42 ? 37.535 48.178 20.951 1.00 24.33 ? ? ? ? ? ? 42 ILE B N 1 -ATOM 3116 C CA . ILE F 3 42 ? 38.950 48.292 21.024 1.00 15.99 ? ? ? ? ? ? 42 ILE B CA 1 -ATOM 3117 C C . ILE F 3 42 ? 39.316 48.925 22.347 1.00 24.16 ? ? ? ? ? ? 42 ILE B C 1 -ATOM 3118 O O . ILE F 3 42 ? 39.129 50.143 22.565 1.00 13.38 ? ? ? ? ? ? 42 ILE B O 1 -ATOM 3119 C CB . ILE F 3 42 ? 39.462 49.144 19.929 1.00 6.00 ? ? ? ? ? ? 42 ILE B CB 1 -ATOM 3120 C CG1 . ILE F 3 42 ? 39.118 48.519 18.601 1.00 8.63 ? ? ? ? ? ? 42 ILE B CG1 1 -ATOM 3121 C CG2 . ILE F 3 42 ? 40.947 49.253 20.044 1.00 9.34 ? ? ? ? ? ? 42 ILE B CG2 1 -ATOM 3122 C CD1 . ILE F 3 42 ? 39.994 49.009 17.549 1.00 6.00 ? ? ? ? ? ? 42 ILE B CD1 1 -ATOM 3123 N N . VAL F 3 43 ? 39.803 48.083 23.245 1.00 23.12 ? ? ? ? ? ? 43 VAL B N 1 -ATOM 3124 C CA . VAL F 3 43 ? 40.201 48.557 24.536 1.00 24.99 ? ? ? ? ? ? 43 VAL B CA 1 -ATOM 3125 C C . VAL F 3 43 ? 41.634 49.036 24.471 1.00 26.85 ? ? ? ? ? ? 43 VAL B C 1 -ATOM 3126 O O . VAL F 3 43 ? 42.006 49.966 25.172 1.00 28.87 ? ? ? ? ? ? 43 VAL B O 1 -ATOM 3127 C CB . VAL F 3 43 ? 40.041 47.448 25.551 1.00 27.06 ? ? ? ? ? ? 43 VAL B CB 1 -ATOM 3128 C CG1 . VAL F 3 43 ? 40.319 47.980 26.911 1.00 38.37 ? ? ? ? ? ? 43 VAL B CG1 1 -ATOM 3129 C CG2 . VAL F 3 43 ? 38.607 46.937 25.538 1.00 32.14 ? ? ? ? ? ? 43 VAL B CG2 1 -ATOM 3130 N N . LYS F 3 44 ? 42.458 48.413 23.640 1.00 22.08 ? ? ? ? ? ? 44 LYS B N 1 -ATOM 3131 C CA . LYS F 3 44 ? 43.837 48.902 23.472 1.00 21.38 ? ? ? ? ? ? 44 LYS B CA 1 -ATOM 3132 C C . LYS F 3 44 ? 44.265 48.727 22.008 1.00 27.33 ? ? ? ? ? ? 44 LYS B C 1 -ATOM 3133 O O . LYS F 3 44 ? 43.808 47.789 21.329 1.00 23.27 ? ? ? ? ? ? 44 LYS B O 1 -ATOM 3134 C CB . LYS F 3 44 ? 44.825 48.125 24.338 1.00 25.14 ? ? ? ? ? ? 44 LYS B CB 1 -ATOM 3135 C CG . LYS F 3 44 ? 46.302 48.428 23.980 1.00 26.68 ? ? ? ? ? ? 44 LYS B CG 1 -ATOM 3136 C CD . LYS F 3 44 ? 47.344 47.413 24.540 1.00 38.05 ? ? ? ? ? ? 44 LYS B CD 1 -ATOM 3137 C CE . LYS F 3 44 ? 48.782 47.559 23.908 1.00 28.90 ? ? ? ? ? ? 44 LYS B CE 1 -ATOM 3138 N NZ . LYS F 3 44 ? 48.791 47.436 22.399 1.00 32.56 ? ? ? ? ? ? 44 LYS B NZ 1 -ATOM 3139 N N . GLY F 3 45 ? 45.093 49.643 21.511 1.00 27.69 ? ? ? ? ? ? 45 GLY B N 1 -ATOM 3140 C CA . GLY F 3 45 ? 45.607 49.486 20.163 1.00 28.58 ? ? ? ? ? ? 45 GLY B CA 1 -ATOM 3141 C C . GLY F 3 45 ? 44.734 49.986 19.007 1.00 31.40 ? ? ? ? ? ? 45 GLY B C 1 -ATOM 3142 O O . GLY F 3 45 ? 43.730 50.707 19.200 1.00 26.30 ? ? ? ? ? ? 45 GLY B O 1 -ATOM 3143 N N . SER F 3 46 ? 45.123 49.522 17.808 1.00 25.84 ? ? ? ? ? ? 46 SER B N 1 -ATOM 3144 C CA . SER F 3 46 ? 44.548 49.916 16.525 1.00 23.41 ? ? ? ? ? ? 46 SER B CA 1 -ATOM 3145 C C . SER F 3 46 ? 44.401 48.786 15.488 1.00 23.30 ? ? ? ? ? ? 46 SER B C 1 -ATOM 3146 O O . SER F 3 46 ? 45.203 47.852 15.370 1.00 15.38 ? ? ? ? ? ? 46 SER B O 1 -ATOM 3147 C CB . SER F 3 46 ? 45.411 50.998 15.954 1.00 25.29 ? ? ? ? ? ? 46 SER B CB 1 -ATOM 3148 O OG . SER F 3 46 ? 46.747 50.559 16.103 1.00 30.58 ? ? ? ? ? ? 46 SER B OG 1 -ATOM 3149 N N . VAL F 3 47 ? 43.436 48.972 14.617 1.00 23.91 ? ? ? ? ? ? 47 VAL B N 1 -ATOM 3150 C CA . VAL F 3 47 ? 43.111 47.928 13.707 1.00 18.40 ? ? ? ? ? ? 47 VAL B CA 1 -ATOM 3151 C C . VAL F 3 47 ? 42.934 48.530 12.282 1.00 21.50 ? ? ? ? ? ? 47 VAL B C 1 -ATOM 3152 O O . VAL F 3 47 ? 42.908 49.768 12.099 1.00 12.27 ? ? ? ? ? ? 47 VAL B O 1 -ATOM 3153 C CB . VAL F 3 47 ? 41.877 47.332 14.356 1.00 12.57 ? ? ? ? ? ? 47 VAL B CB 1 -ATOM 3154 C CG1 . VAL F 3 47 ? 40.662 48.133 13.908 1.00 6.00 ? ? ? ? ? ? 47 VAL B CG1 1 -ATOM 3155 C CG2 . VAL F 3 47 ? 41.812 45.873 14.090 1.00 11.73 ? ? ? ? ? ? 47 VAL B CG2 1 -ATOM 3156 N N . ALA F 3 48 ? 42.815 47.689 11.254 1.00 19.58 ? ? ? ? ? ? 48 ALA B N 1 -ATOM 3157 C CA . ALA F 3 48 ? 42.620 48.224 9.889 1.00 18.16 ? ? ? ? ? ? 48 ALA B CA 1 -ATOM 3158 C C . ALA F 3 48 ? 41.416 47.591 9.235 1.00 12.82 ? ? ? ? ? ? 48 ALA B C 1 -ATOM 3159 O O . ALA F 3 48 ? 41.222 46.393 9.357 1.00 18.01 ? ? ? ? ? ? 48 ALA B O 1 -ATOM 3160 C CB . ALA F 3 48 ? 43.837 47.953 9.035 1.00 18.92 ? ? ? ? ? ? 48 ALA B CB 1 -ATOM 3161 N N . VAL F 3 49 ? 40.584 48.406 8.594 1.00 12.15 ? ? ? ? ? ? 49 VAL B N 1 -ATOM 3162 C CA . VAL F 3 49 ? 39.412 47.930 7.854 1.00 13.55 ? ? ? ? ? ? 49 VAL B CA 1 -ATOM 3163 C C . VAL F 3 49 ? 39.791 48.031 6.377 1.00 11.33 ? ? ? ? ? ? 49 VAL B C 1 -ATOM 3164 O O . VAL F 3 49 ? 40.300 49.070 5.937 1.00 13.71 ? ? ? ? ? ? 49 VAL B O 1 -ATOM 3165 C CB . VAL F 3 49 ? 38.162 48.806 8.098 1.00 6.00 ? ? ? ? ? ? 49 VAL B CB 1 -ATOM 3166 C CG1 . VAL F 3 49 ? 36.940 48.068 7.601 1.00 11.71 ? ? ? ? ? ? 49 VAL B CG1 1 -ATOM 3167 C CG2 . VAL F 3 49 ? 37.996 49.093 9.569 1.00 6.00 ? ? ? ? ? ? 49 VAL B CG2 1 -ATOM 3168 N N . LEU F 3 50 ? 39.586 46.948 5.636 1.00 10.77 ? ? ? ? ? ? 50 LEU B N 1 -ATOM 3169 C CA . LEU F 3 50 ? 39.945 46.858 4.214 1.00 6.94 ? ? ? ? ? ? 50 LEU B CA 1 -ATOM 3170 C C . LEU F 3 50 ? 39.058 45.828 3.537 1.00 11.14 ? ? ? ? ? ? 50 LEU B C 1 -ATOM 3171 O O . LEU F 3 50 ? 38.560 44.909 4.166 1.00 9.61 ? ? ? ? ? ? 50 LEU B O 1 -ATOM 3172 C CB . LEU F 3 50 ? 41.453 46.480 4.074 1.00 6.19 ? ? ? ? ? ? 50 LEU B CB 1 -ATOM 3173 C CG . LEU F 3 50 ? 42.077 45.452 5.035 1.00 6.38 ? ? ? ? ? ? 50 LEU B CG 1 -ATOM 3174 C CD1 . LEU F 3 50 ? 41.565 44.092 4.679 1.00 12.15 ? ? ? ? ? ? 50 LEU B CD1 1 -ATOM 3175 C CD2 . LEU F 3 50 ? 43.557 45.502 4.971 1.00 6.00 ? ? ? ? ? ? 50 LEU B CD2 1 -ATOM 3176 N N . ILE F 3 51 ? 38.791 46.027 2.256 1.00 11.74 ? ? ? ? ? ? 51 ILE B N 1 -ATOM 3177 C CA . ILE F 3 51 ? 37.966 45.095 1.516 1.00 7.46 ? ? ? ? ? ? 51 ILE B CA 1 -ATOM 3178 C C . ILE F 3 51 ? 38.721 44.506 0.358 1.00 12.57 ? ? ? ? ? ? 51 ILE B C 1 -ATOM 3179 O O . ILE F 3 51 ? 39.834 44.945 0.050 1.00 11.22 ? ? ? ? ? ? 51 ILE B O 1 -ATOM 3180 C CB . ILE F 3 51 ? 36.791 45.783 1.017 1.00 13.08 ? ? ? ? ? ? 51 ILE B CB 1 -ATOM 3181 C CG1 . ILE F 3 51 ? 37.187 46.733 -0.105 1.00 18.13 ? ? ? ? ? ? 51 ILE B CG1 1 -ATOM 3182 C CG2 . ILE F 3 51 ? 36.134 46.418 2.205 1.00 6.59 ? ? ? ? ? ? 51 ILE B CG2 1 -ATOM 3183 C CD1 . ILE F 3 51 ? 36.053 47.630 -0.512 1.00 15.17 ? ? ? ? ? ? 51 ILE B CD1 1 -ATOM 3184 N N . LYS F 3 52 ? 38.078 43.546 -0.310 1.00 19.11 ? ? ? ? ? ? 52 LYS B N 1 -ATOM 3185 C CA . LYS F 3 52 ? 38.785 42.744 -1.317 1.00 19.34 ? ? ? ? ? ? 52 LYS B CA 1 -ATOM 3186 C C . LYS F 3 52 ? 37.980 42.220 -2.478 1.00 21.18 ? ? ? ? ? ? 52 LYS B C 1 -ATOM 3187 O O . LYS F 3 52 ? 36.924 41.604 -2.316 1.00 21.23 ? ? ? ? ? ? 52 LYS B O 1 -ATOM 3188 C CB . LYS F 3 52 ? 39.454 41.535 -0.634 1.00 19.36 ? ? ? ? ? ? 52 LYS B CB 1 -ATOM 3189 C CG . LYS F 3 52 ? 40.643 41.901 0.251 1.00 25.77 ? ? ? ? ? ? 52 LYS B CG 1 -ATOM 3190 C CD . LYS F 3 52 ? 41.416 40.680 0.788 1.00 37.87 ? ? ? ? ? ? 52 LYS B CD 1 -ATOM 3191 C CE . LYS F 3 52 ? 42.042 39.749 -0.291 1.00 40.35 ? ? ? ? ? ? 52 LYS B CE 1 -ATOM 3192 N NZ . LYS F 3 52 ? 41.070 38.875 -1.051 1.00 39.02 ? ? ? ? ? ? 52 LYS B NZ 1 -ATOM 3193 N N . ASP F 3 53 ? 38.570 42.455 -3.640 1.00 26.20 ? ? ? ? ? ? 53 ASP B N 1 -ATOM 3194 C CA . ASP F 3 53 ? 38.104 42.053 -4.959 1.00 30.19 ? ? ? ? ? ? 53 ASP B CA 1 -ATOM 3195 C C . ASP F 3 53 ? 38.496 40.589 -5.179 1.00 30.81 ? ? ? ? ? ? 53 ASP B C 1 -ATOM 3196 O O . ASP F 3 53 ? 39.640 40.220 -4.873 1.00 27.23 ? ? ? ? ? ? 53 ASP B O 1 -ATOM 3197 C CB . ASP F 3 53 ? 38.762 42.942 -6.005 1.00 25.68 ? ? ? ? ? ? 53 ASP B CB 1 -ATOM 3198 C CG . ASP F 3 53 ? 38.228 42.693 -7.384 1.00 36.79 ? ? ? ? ? ? 53 ASP B CG 1 -ATOM 3199 O OD1 . ASP F 3 53 ? 37.026 42.975 -7.605 1.00 42.51 ? ? ? ? ? ? 53 ASP B OD1 1 -ATOM 3200 O OD2 . ASP F 3 53 ? 39.002 42.230 -8.249 1.00 45.65 ? ? ? ? ? ? 53 ASP B OD2 1 -ATOM 3201 N N . GLU F 3 54 ? 37.597 39.776 -5.756 1.00 33.39 ? ? ? ? ? ? 54 GLU B N 1 -ATOM 3202 C CA . GLU F 3 54 ? 37.875 38.341 -5.909 1.00 27.12 ? ? ? ? ? ? 54 GLU B CA 1 -ATOM 3203 C C . GLU F 3 54 ? 39.200 38.062 -6.520 1.00 23.49 ? ? ? ? ? ? 54 GLU B C 1 -ATOM 3204 O O . GLU F 3 54 ? 39.760 37.039 -6.234 1.00 28.23 ? ? ? ? ? ? 54 GLU B O 1 -ATOM 3205 C CB . GLU F 3 54 ? 36.845 37.643 -6.755 1.00 16.71 ? ? ? ? ? ? 54 GLU B CB 1 -ATOM 3206 C CG . GLU F 3 54 ? 35.473 37.551 -6.065 1.00 29.08 ? ? ? ? ? ? 54 GLU B CG 1 -ATOM 3207 C CD . GLU F 3 54 ? 34.559 38.772 -6.287 1.00 32.03 ? ? ? ? ? ? 54 GLU B CD 1 -ATOM 3208 O OE1 . GLU F 3 54 ? 35.049 39.793 -6.812 1.00 41.53 ? ? ? ? ? ? 54 GLU B OE1 1 -ATOM 3209 O OE2 . GLU F 3 54 ? 33.345 38.709 -5.948 1.00 40.23 ? ? ? ? ? ? 54 GLU B OE2 1 -ATOM 3210 N N . GLU F 3 55 ? 39.717 38.944 -7.357 1.00 29.88 ? ? ? ? ? ? 55 GLU B N 1 -ATOM 3211 C CA . GLU F 3 55 ? 41.053 38.716 -7.898 1.00 27.36 ? ? ? ? ? ? 55 GLU B CA 1 -ATOM 3212 C C . GLU F 3 55 ? 42.194 39.327 -6.987 1.00 33.84 ? ? ? ? ? ? 55 GLU B C 1 -ATOM 3213 O O . GLU F 3 55 ? 43.204 39.895 -7.454 1.00 34.61 ? ? ? ? ? ? 55 GLU B O 1 -ATOM 3214 C CB . GLU F 3 55 ? 41.048 39.272 -9.365 1.00 31.87 ? ? ? ? ? ? 55 GLU B CB 1 -ATOM 3215 C CG . GLU F 3 55 ? 40.299 38.286 -10.351 1.00 34.09 ? ? ? ? ? ? 55 GLU B CG 1 -ATOM 3216 C CD . GLU F 3 55 ? 40.226 38.613 -11.906 1.00 22.81 ? ? ? ? ? ? 55 GLU B CD 1 -ATOM 3217 O OE1 . GLU F 3 55 ? 39.095 38.553 -12.481 1.00 11.57 ? ? ? ? ? ? 55 GLU B OE1 1 -ATOM 3218 O OE2 . GLU F 3 55 ? 41.263 38.889 -12.549 1.00 20.61 ? ? ? ? ? ? 55 GLU B OE2 1 -ATOM 3219 N N . GLY F 3 56 ? 41.924 39.262 -5.670 1.00 34.34 ? ? ? ? ? ? 56 GLY B N 1 -ATOM 3220 C CA . GLY F 3 56 ? 42.846 39.548 -4.563 1.00 34.74 ? ? ? ? ? ? 56 GLY B CA 1 -ATOM 3221 C C . GLY F 3 56 ? 43.178 41.041 -4.316 1.00 32.65 ? ? ? ? ? ? 56 GLY B C 1 -ATOM 3222 O O . GLY F 3 56 ? 43.756 41.264 -3.217 1.00 32.52 ? ? ? ? ? ? 56 GLY B O 1 -ATOM 3223 N N . LYS F 3 57 ? 42.911 42.066 -5.137 1.00 26.26 ? ? ? ? ? ? 57 LYS B N 1 -ATOM 3224 C CA . LYS F 3 57 ? 43.391 43.403 -4.706 1.00 25.49 ? ? ? ? ? ? 57 LYS B CA 1 -ATOM 3225 C C . LYS F 3 57 ? 42.632 43.931 -3.493 1.00 27.11 ? ? ? ? ? ? 57 LYS B C 1 -ATOM 3226 O O . LYS F 3 57 ? 41.417 43.775 -3.419 1.00 35.63 ? ? ? ? ? ? 57 LYS B O 1 -ATOM 3227 C CB . LYS F 3 57 ? 43.238 44.455 -5.817 1.00 34.40 ? ? ? ? ? ? 57 LYS B CB 1 -ATOM 3228 C CG . LYS F 3 57 ? 44.010 45.775 -5.492 1.00 45.06 ? ? ? ? ? ? 57 LYS B CG 1 -ATOM 3229 C CD . LYS F 3 57 ? 43.682 46.962 -6.443 1.00 49.96 ? ? ? ? ? ? 57 LYS B CD 1 -ATOM 3230 C CE . LYS F 3 57 ? 44.602 48.204 -6.222 1.00 50.30 ? ? ? ? ? ? 57 LYS B CE 1 -ATOM 3231 N NZ . LYS F 3 57 ? 44.754 48.758 -4.816 1.00 53.01 ? ? ? ? ? ? 57 LYS B NZ 1 -ATOM 3232 N N . GLU F 3 58 ? 43.325 44.588 -2.573 1.00 19.02 ? ? ? ? ? ? 58 GLU B N 1 -ATOM 3233 C CA . GLU F 3 58 ? 42.678 45.111 -1.361 1.00 23.13 ? ? ? ? ? ? 58 GLU B CA 1 -ATOM 3234 C C . GLU F 3 58 ? 42.848 46.653 -1.155 1.00 21.01 ? ? ? ? ? ? 58 GLU B C 1 -ATOM 3235 O O . GLU F 3 58 ? 43.859 47.242 -1.523 1.00 27.24 ? ? ? ? ? ? 58 GLU B O 1 -ATOM 3236 C CB . GLU F 3 58 ? 43.229 44.336 -0.119 1.00 19.43 ? ? ? ? ? ? 58 GLU B CB 1 -ATOM 3237 C CG . GLU F 3 58 ? 44.756 44.184 -0.022 1.00 25.10 ? ? ? ? ? ? 58 GLU B CG 1 -ATOM 3238 C CD . GLU F 3 58 ? 45.286 43.756 1.376 1.00 39.64 ? ? ? ? ? ? 58 GLU B CD 1 -ATOM 3239 O OE1 . GLU F 3 58 ? 46.506 43.430 1.495 1.00 27.81 ? ? ? ? ? ? 58 GLU B OE1 1 -ATOM 3240 O OE2 . GLU F 3 58 ? 44.501 43.765 2.363 1.00 37.17 ? ? ? ? ? ? 58 GLU B OE2 1 -ATOM 3241 N N . MET F 3 59 ? 41.838 47.291 -0.570 1.00 17.17 ? ? ? ? ? ? 59 MET B N 1 -ATOM 3242 C CA . MET F 3 59 ? 41.868 48.719 -0.284 1.00 22.52 ? ? ? ? ? ? 59 MET B CA 1 -ATOM 3243 C C . MET F 3 59 ? 41.525 49.025 1.176 1.00 19.46 ? ? ? ? ? ? 59 MET B C 1 -ATOM 3244 O O . MET F 3 59 ? 40.489 48.568 1.669 1.00 25.81 ? ? ? ? ? ? 59 MET B O 1 -ATOM 3245 C CB . MET F 3 59 ? 40.865 49.486 -1.148 1.00 18.54 ? ? ? ? ? ? 59 MET B CB 1 -ATOM 3246 C CG . MET F 3 59 ? 40.577 50.888 -0.552 1.00 16.58 ? ? ? ? ? ? 59 MET B CG 1 -ATOM 3247 S SD . MET F 3 59 ? 39.765 51.973 -1.660 1.00 24.40 ? ? ? ? ? ? 59 MET B SD 1 -ATOM 3248 C CE . MET F 3 59 ? 41.098 52.317 -2.718 1.00 12.75 ? ? ? ? ? ? 59 MET B CE 1 -ATOM 3249 N N . ILE F 3 60 ? 42.371 49.780 1.869 1.00 7.29 ? ? ? ? ? ? 60 ILE B N 1 -ATOM 3250 C CA . ILE F 3 60 ? 42.077 50.161 3.238 1.00 6.04 ? ? ? ? ? ? 60 ILE B CA 1 -ATOM 3251 C C . ILE F 3 60 ? 40.940 51.210 3.259 1.00 10.95 ? ? ? ? ? ? 60 ILE B C 1 -ATOM 3252 O O . ILE F 3 60 ? 40.985 52.216 2.551 1.00 11.67 ? ? ? ? ? ? 60 ILE B O 1 -ATOM 3253 C CB . ILE F 3 60 ? 43.300 50.794 3.925 1.00 13.66 ? ? ? ? ? ? 60 ILE B CB 1 -ATOM 3254 C CG1 . ILE F 3 60 ? 44.463 49.826 3.993 1.00 6.00 ? ? ? ? ? ? 60 ILE B CG1 1 -ATOM 3255 C CG2 . ILE F 3 60 ? 42.930 51.157 5.355 1.00 21.06 ? ? ? ? ? ? 60 ILE B CG2 1 -ATOM 3256 C CD1 . ILE F 3 60 ? 45.696 50.496 4.602 1.00 14.81 ? ? ? ? ? ? 60 ILE B CD1 1 -ATOM 3257 N N . LEU F 3 61 ? 39.905 50.985 4.051 1.00 17.71 ? ? ? ? ? ? 61 LEU B N 1 -ATOM 3258 C CA . LEU F 3 61 ? 38.808 51.955 4.198 1.00 20.92 ? ? ? ? ? ? 61 LEU B CA 1 -ATOM 3259 C C . LEU F 3 61 ? 39.023 52.858 5.400 1.00 19.76 ? ? ? ? ? ? 61 LEU B C 1 -ATOM 3260 O O . LEU F 3 61 ? 38.563 53.996 5.423 1.00 12.83 ? ? ? ? ? ? 61 LEU B O 1 -ATOM 3261 C CB . LEU F 3 61 ? 37.491 51.278 4.426 1.00 12.38 ? ? ? ? ? ? 61 LEU B CB 1 -ATOM 3262 C CG . LEU F 3 61 ? 36.887 50.646 3.219 1.00 16.00 ? ? ? ? ? ? 61 LEU B CG 1 -ATOM 3263 C CD1 . LEU F 3 61 ? 35.953 49.541 3.630 1.00 14.17 ? ? ? ? ? ? 61 LEU B CD1 1 -ATOM 3264 C CD2 . LEU F 3 61 ? 36.229 51.734 2.433 1.00 16.33 ? ? ? ? ? ? 61 LEU B CD2 1 -ATOM 3265 N N . SER F 3 62 ? 39.683 52.334 6.423 1.00 20.82 ? ? ? ? ? ? 62 SER B N 1 -ATOM 3266 C CA . SER F 3 62 ? 39.967 53.177 7.551 1.00 15.96 ? ? ? ? ? ? 62 SER B CA 1 -ATOM 3267 C C . SER F 3 62 ? 40.767 52.466 8.610 1.00 15.64 ? ? ? ? ? ? 62 SER B C 1 -ATOM 3268 O O . SER F 3 62 ? 40.827 51.255 8.707 1.00 21.79 ? ? ? ? ? ? 62 SER B O 1 -ATOM 3269 C CB . SER F 3 62 ? 38.640 53.662 8.133 1.00 13.80 ? ? ? ? ? ? 62 SER B CB 1 -ATOM 3270 O OG . SER F 3 62 ? 38.821 54.279 9.372 1.00 19.60 ? ? ? ? ? ? 62 SER B OG 1 -ATOM 3271 N N . TYR F 3 63 ? 41.300 53.259 9.484 1.00 18.85 ? ? ? ? ? ? 63 TYR B N 1 -ATOM 3272 C CA . TYR F 3 63 ? 42.024 52.806 10.627 1.00 12.36 ? ? ? ? ? ? 63 TYR B CA 1 -ATOM 3273 C C . TYR F 3 63 ? 41.054 53.069 11.788 1.00 16.68 ? ? ? ? ? ? 63 TYR B C 1 -ATOM 3274 O O . TYR F 3 63 ? 40.289 54.038 11.792 1.00 9.24 ? ? ? ? ? ? 63 TYR B O 1 -ATOM 3275 C CB . TYR F 3 63 ? 43.306 53.621 10.773 1.00 15.22 ? ? ? ? ? ? 63 TYR B CB 1 -ATOM 3276 C CG . TYR F 3 63 ? 44.355 53.374 9.706 1.00 13.93 ? ? ? ? ? ? 63 TYR B CG 1 -ATOM 3277 C CD1 . TYR F 3 63 ? 44.484 52.121 9.111 1.00 15.08 ? ? ? ? ? ? 63 TYR B CD1 1 -ATOM 3278 C CD2 . TYR F 3 63 ? 45.236 54.372 9.312 1.00 7.17 ? ? ? ? ? ? 63 TYR B CD2 1 -ATOM 3279 C CE1 . TYR F 3 63 ? 45.481 51.858 8.141 1.00 13.67 ? ? ? ? ? ? 63 TYR B CE1 1 -ATOM 3280 C CE2 . TYR F 3 63 ? 46.240 54.119 8.340 1.00 17.99 ? ? ? ? ? ? 63 TYR B CE2 1 -ATOM 3281 C CZ . TYR F 3 63 ? 46.348 52.845 7.765 1.00 13.74 ? ? ? ? ? ? 63 TYR B CZ 1 -ATOM 3282 O OH . TYR F 3 63 ? 47.312 52.533 6.845 1.00 15.67 ? ? ? ? ? ? 63 TYR B OH 1 -ATOM 3283 N N . LEU F 3 64 ? 41.028 52.163 12.742 1.00 13.42 ? ? ? ? ? ? 64 LEU B N 1 -ATOM 3284 C CA . LEU F 3 64 ? 40.173 52.321 13.871 1.00 6.00 ? ? ? ? ? ? 64 LEU B CA 1 -ATOM 3285 C C . LEU F 3 64 ? 41.118 52.302 15.015 1.00 10.53 ? ? ? ? ? ? 64 LEU B C 1 -ATOM 3286 O O . LEU F 3 64 ? 42.287 51.868 14.834 1.00 6.00 ? ? ? ? ? ? 64 LEU B O 1 -ATOM 3287 C CB . LEU F 3 64 ? 39.209 51.173 13.889 1.00 6.00 ? ? ? ? ? ? 64 LEU B CB 1 -ATOM 3288 C CG . LEU F 3 64 ? 37.769 51.605 13.688 1.00 9.40 ? ? ? ? ? ? 64 LEU B CG 1 -ATOM 3289 C CD1 . LEU F 3 64 ? 37.715 52.775 12.673 1.00 8.66 ? ? ? ? ? ? 64 LEU B CD1 1 -ATOM 3290 C CD2 . LEU F 3 64 ? 36.961 50.387 13.297 1.00 11.27 ? ? ? ? ? ? 64 LEU B CD2 1 -ATOM 3291 N N . ASN F 3 65 ? 40.662 52.750 16.179 1.00 11.14 ? ? ? ? ? ? 65 ASN B N 1 -ATOM 3292 C CA . ASN F 3 65 ? 41.557 52.792 17.334 1.00 12.99 ? ? ? ? ? ? 65 ASN B CA 1 -ATOM 3293 C C . ASN F 3 65 ? 40.805 52.551 18.649 1.00 19.41 ? ? ? ? ? ? 65 ASN B C 1 -ATOM 3294 O O . ASN F 3 65 ? 39.608 52.241 18.679 1.00 21.12 ? ? ? ? ? ? 65 ASN B O 1 -ATOM 3295 C CB . ASN F 3 65 ? 42.266 54.163 17.454 1.00 18.04 ? ? ? ? ? ? 65 ASN B CB 1 -ATOM 3296 C CG . ASN F 3 65 ? 43.116 54.564 16.218 1.00 14.22 ? ? ? ? ? ? 65 ASN B CG 1 -ATOM 3297 O OD1 . ASN F 3 65 ? 43.085 55.713 15.797 1.00 23.86 ? ? ? ? ? ? 65 ASN B OD1 1 -ATOM 3298 N ND2 . ASN F 3 65 ? 43.876 53.642 15.667 1.00 26.92 ? ? ? ? ? ? 65 ASN B ND2 1 -ATOM 3299 N N . GLN F 3 66 ? 41.547 52.687 19.738 1.00 19.41 ? ? ? ? ? ? 66 GLN B N 1 -ATOM 3300 C CA . GLN F 3 66 ? 41.035 52.575 21.099 1.00 15.88 ? ? ? ? ? ? 66 GLN B CA 1 -ATOM 3301 C C . GLN F 3 66 ? 39.910 53.540 21.254 1.00 14.70 ? ? ? ? ? ? 66 GLN B C 1 -ATOM 3302 O O . GLN F 3 66 ? 40.063 54.732 20.977 1.00 18.83 ? ? ? ? ? ? 66 GLN B O 1 -ATOM 3303 C CB . GLN F 3 66 ? 42.127 52.923 22.105 1.00 29.78 ? ? ? ? ? ? 66 GLN B CB 1 -ATOM 3304 C CG . GLN F 3 66 ? 41.669 53.195 23.527 1.00 40.62 ? ? ? ? ? ? 66 GLN B CG 1 -ATOM 3305 C CD . GLN F 3 66 ? 42.748 53.916 24.339 1.00 43.47 ? ? ? ? ? ? 66 GLN B CD 1 -ATOM 3306 O OE1 . GLN F 3 66 ? 42.450 54.856 25.083 1.00 42.58 ? ? ? ? ? ? 66 GLN B OE1 1 -ATOM 3307 N NE2 . GLN F 3 66 ? 44.004 53.494 24.185 1.00 42.99 ? ? ? ? ? ? 66 GLN B NE2 1 -ATOM 3308 N N . GLY F 3 67 ? 38.780 52.993 21.660 1.00 11.02 ? ? ? ? ? ? 67 GLY B N 1 -ATOM 3309 C CA . GLY F 3 67 ? 37.603 53.792 21.904 1.00 14.29 ? ? ? ? ? ? 67 GLY B CA 1 -ATOM 3310 C C . GLY F 3 67 ? 36.479 53.484 20.960 1.00 14.28 ? ? ? ? ? ? 67 GLY B C 1 -ATOM 3311 O O . GLY F 3 67 ? 35.299 53.633 21.313 1.00 10.03 ? ? ? ? ? ? 67 GLY B O 1 -ATOM 3312 N N . ASP F 3 68 ? 36.848 53.059 19.756 1.00 21.48 ? ? ? ? ? ? 68 ASP B N 1 -ATOM 3313 C CA . ASP F 3 68 ? 35.883 52.767 18.697 1.00 19.79 ? ? ? ? ? ? 68 ASP B CA 1 -ATOM 3314 C C . ASP F 3 68 ? 35.264 51.395 18.795 1.00 16.57 ? ? ? ? ? ? 68 ASP B C 1 -ATOM 3315 O O . ASP F 3 68 ? 35.892 50.481 19.265 1.00 21.37 ? ? ? ? ? ? 68 ASP B O 1 -ATOM 3316 C CB . ASP F 3 68 ? 36.560 52.898 17.338 1.00 21.73 ? ? ? ? ? ? 68 ASP B CB 1 -ATOM 3317 C CG . ASP F 3 68 ? 37.179 54.271 17.116 1.00 15.95 ? ? ? ? ? ? 68 ASP B CG 1 -ATOM 3318 O OD1 . ASP F 3 68 ? 36.657 55.276 17.697 1.00 16.67 ? ? ? ? ? ? 68 ASP B OD1 1 -ATOM 3319 O OD2 . ASP F 3 68 ? 38.194 54.313 16.370 1.00 8.64 ? ? ? ? ? ? 68 ASP B OD2 1 -ATOM 3320 N N . PHE F 3 69 ? 34.006 51.279 18.392 1.00 18.99 ? ? ? ? ? ? 69 PHE B N 1 -ATOM 3321 C CA . PHE F 3 69 ? 33.328 50.003 18.322 1.00 17.82 ? ? ? ? ? ? 69 PHE B CA 1 -ATOM 3322 C C . PHE F 3 69 ? 33.670 49.310 17.016 1.00 14.78 ? ? ? ? ? ? 69 PHE B C 1 -ATOM 3323 O O . PHE F 3 69 ? 34.076 49.972 16.079 1.00 19.91 ? ? ? ? ? ? 69 PHE B O 1 -ATOM 3324 C CB . PHE F 3 69 ? 31.865 50.189 18.359 1.00 21.54 ? ? ? ? ? ? 69 PHE B CB 1 -ATOM 3325 C CG . PHE F 3 69 ? 31.352 50.638 19.671 1.00 29.64 ? ? ? ? ? ? 69 PHE B CG 1 -ATOM 3326 C CD1 . PHE F 3 69 ? 31.032 49.705 20.649 1.00 24.31 ? ? ? ? ? ? 69 PHE B CD1 1 -ATOM 3327 C CD2 . PHE F 3 69 ? 31.111 51.981 19.910 1.00 26.55 ? ? ? ? ? ? 69 PHE B CD2 1 -ATOM 3328 C CE1 . PHE F 3 69 ? 30.476 50.105 21.827 1.00 24.04 ? ? ? ? ? ? 69 PHE B CE1 1 -ATOM 3329 C CE2 . PHE F 3 69 ? 30.554 52.381 21.087 1.00 22.61 ? ? ? ? ? ? 69 PHE B CE2 1 -ATOM 3330 C CZ . PHE F 3 69 ? 30.237 51.439 22.042 1.00 27.87 ? ? ? ? ? ? 69 PHE B CZ 1 -ATOM 3331 N N . ILE F 3 70 ? 33.499 47.992 16.947 1.00 19.16 ? ? ? ? ? ? 70 ILE B N 1 -ATOM 3332 C CA . ILE F 3 70 ? 33.810 47.256 15.708 1.00 22.22 ? ? ? ? ? ? 70 ILE B CA 1 -ATOM 3333 C C . ILE F 3 70 ? 32.724 46.253 15.325 1.00 17.94 ? ? ? ? ? ? 70 ILE B C 1 -ATOM 3334 O O . ILE F 3 70 ? 32.239 45.547 16.160 1.00 18.74 ? ? ? ? ? ? 70 ILE B O 1 -ATOM 3335 C CB . ILE F 3 70 ? 35.102 46.405 15.792 1.00 19.54 ? ? ? ? ? ? 70 ILE B CB 1 -ATOM 3336 C CG1 . ILE F 3 70 ? 36.309 47.236 16.163 1.00 21.44 ? ? ? ? ? ? 70 ILE B CG1 1 -ATOM 3337 C CG2 . ILE F 3 70 ? 35.435 45.881 14.435 1.00 22.71 ? ? ? ? ? ? 70 ILE B CG2 1 -ATOM 3338 C CD1 . ILE F 3 70 ? 37.578 46.374 16.210 1.00 17.03 ? ? ? ? ? ? 70 ILE B CD1 1 -ATOM 3339 N N . GLY F 3 71 ? 32.335 46.173 14.069 1.00 15.70 ? ? ? ? ? ? 71 GLY B N 1 -ATOM 3340 C CA . GLY F 3 71 ? 31.372 45.153 13.719 1.00 12.90 ? ? ? ? ? ? 71 GLY B CA 1 -ATOM 3341 C C . GLY F 3 71 ? 29.995 45.481 14.195 1.00 15.55 ? ? ? ? ? ? 71 GLY B C 1 -ATOM 3342 O O . GLY F 3 71 ? 29.247 44.609 14.638 1.00 9.66 ? ? ? ? ? ? 71 GLY B O 1 -ATOM 3343 N N . GLU F 3 72 ? 29.643 46.753 14.061 1.00 13.06 ? ? ? ? ? ? 72 GLU B N 1 -ATOM 3344 C CA . GLU F 3 72 ? 28.350 47.204 14.506 1.00 9.98 ? ? ? ? ? ? 72 GLU B CA 1 -ATOM 3345 C C . GLU F 3 72 ? 27.288 47.121 13.467 1.00 6.30 ? ? ? ? ? ? 72 GLU B C 1 -ATOM 3346 O O . GLU F 3 72 ? 26.118 47.115 13.811 1.00 16.70 ? ? ? ? ? ? 72 GLU B O 1 -ATOM 3347 C CB . GLU F 3 72 ? 28.465 48.640 15.004 1.00 6.29 ? ? ? ? ? ? 72 GLU B CB 1 -ATOM 3348 C CG . GLU F 3 72 ? 29.806 49.291 14.717 1.00 6.00 ? ? ? ? ? ? 72 GLU B CG 1 -ATOM 3349 C CD . GLU F 3 72 ? 29.892 49.878 13.370 1.00 6.00 ? ? ? ? ? ? 72 GLU B CD 1 -ATOM 3350 O OE1 . GLU F 3 72 ? 30.948 49.814 12.732 1.00 6.80 ? ? ? ? ? ? 72 GLU B OE1 1 -ATOM 3351 O OE2 . GLU F 3 72 ? 28.878 50.440 12.944 1.00 14.92 ? ? ? ? ? ? 72 GLU B OE2 1 -ATOM 3352 N N . LEU F 3 73 ? 27.671 47.043 12.199 1.00 8.80 ? ? ? ? ? ? 73 LEU B N 1 -ATOM 3353 C CA . LEU F 3 73 ? 26.651 47.057 11.138 1.00 16.62 ? ? ? ? ? ? 73 LEU B CA 1 -ATOM 3354 C C . LEU F 3 73 ? 25.834 45.782 11.069 1.00 17.15 ? ? ? ? ? ? 73 LEU B C 1 -ATOM 3355 O O . LEU F 3 73 ? 24.689 45.783 10.573 1.00 25.19 ? ? ? ? ? ? 73 LEU B O 1 -ATOM 3356 C CB . LEU F 3 73 ? 27.292 47.302 9.757 1.00 14.65 ? ? ? ? ? ? 73 LEU B CB 1 -ATOM 3357 C CG . LEU F 3 73 ? 28.151 48.538 9.421 1.00 7.34 ? ? ? ? ? ? 73 LEU B CG 1 -ATOM 3358 C CD1 . LEU F 3 73 ? 27.485 49.810 9.909 1.00 6.00 ? ? ? ? ? ? 73 LEU B CD1 1 -ATOM 3359 C CD2 . LEU F 3 73 ? 29.473 48.393 10.076 1.00 13.59 ? ? ? ? ? ? 73 LEU B CD2 1 -ATOM 3360 N N . GLY F 3 74 ? 26.418 44.701 11.577 1.00 16.35 ? ? ? ? ? ? 74 GLY B N 1 -ATOM 3361 C CA . GLY F 3 74 ? 25.738 43.418 11.601 1.00 10.26 ? ? ? ? ? ? 74 GLY B CA 1 -ATOM 3362 C C . GLY F 3 74 ? 24.648 43.451 12.624 1.00 11.49 ? ? ? ? ? ? 74 GLY B C 1 -ATOM 3363 O O . GLY F 3 74 ? 23.621 42.826 12.444 1.00 17.33 ? ? ? ? ? ? 74 GLY B O 1 -ATOM 3364 N N . LEU F 3 75 ? 24.875 44.229 13.674 1.00 14.11 ? ? ? ? ? ? 75 LEU B N 1 -ATOM 3365 C CA . LEU F 3 75 ? 23.956 44.353 14.793 1.00 17.74 ? ? ? ? ? ? 75 LEU B CA 1 -ATOM 3366 C C . LEU F 3 75 ? 22.532 44.743 14.481 1.00 17.87 ? ? ? ? ? ? 75 LEU B C 1 -ATOM 3367 O O . LEU F 3 75 ? 21.652 44.306 15.211 1.00 16.33 ? ? ? ? ? ? 75 LEU B O 1 -ATOM 3368 C CB . LEU F 3 75 ? 24.467 45.374 15.804 1.00 21.90 ? ? ? ? ? ? 75 LEU B CB 1 -ATOM 3369 C CG . LEU F 3 75 ? 23.364 45.873 16.760 1.00 27.58 ? ? ? ? ? ? 75 LEU B CG 1 -ATOM 3370 C CD1 . LEU F 3 75 ? 23.023 44.804 17.822 1.00 30.23 ? ? ? ? ? ? 75 LEU B CD1 1 -ATOM 3371 C CD2 . LEU F 3 75 ? 23.851 47.115 17.446 1.00 24.21 ? ? ? ? ? ? 75 LEU B CD2 1 -ATOM 3372 N N . PHE F 3 76 ? 22.272 45.521 13.427 1.00 23.44 ? ? ? ? ? ? 76 PHE B N 1 -ATOM 3373 C CA . PHE F 3 76 ? 20.908 46.065 13.230 1.00 26.31 ? ? ? ? ? ? 76 PHE B CA 1 -ATOM 3374 C C . PHE F 3 76 ? 19.887 45.271 12.385 1.00 29.24 ? ? ? ? ? ? 76 PHE B C 1 -ATOM 3375 O O . PHE F 3 76 ? 18.776 45.758 12.248 1.00 20.81 ? ? ? ? ? ? 76 PHE B O 1 -ATOM 3376 C CB . PHE F 3 76 ? 21.059 47.504 12.686 1.00 18.51 ? ? ? ? ? ? 76 PHE B CB 1 -ATOM 3377 C CG . PHE F 3 76 ? 21.648 48.459 13.718 1.00 14.62 ? ? ? ? ? ? 76 PHE B CG 1 -ATOM 3378 C CD1 . PHE F 3 76 ? 20.827 49.156 14.593 1.00 20.69 ? ? ? ? ? ? 76 PHE B CD1 1 -ATOM 3379 C CD2 . PHE F 3 76 ? 23.022 48.612 13.871 1.00 17.96 ? ? ? ? ? ? 76 PHE B CD2 1 -ATOM 3380 C CE1 . PHE F 3 76 ? 21.347 49.977 15.599 1.00 9.37 ? ? ? ? ? ? 76 PHE B CE1 1 -ATOM 3381 C CE2 . PHE F 3 76 ? 23.531 49.425 14.871 1.00 16.67 ? ? ? ? ? ? 76 PHE B CE2 1 -ATOM 3382 C CZ . PHE F 3 76 ? 22.685 50.103 15.732 1.00 15.64 ? ? ? ? ? ? 76 PHE B CZ 1 -ATOM 3383 N N . GLU F 3 77 ? 20.173 44.074 11.868 1.00 36.81 ? ? ? ? ? ? 77 GLU B N 1 -ATOM 3384 C CA . GLU F 3 77 ? 19.156 43.307 11.109 1.00 39.12 ? ? ? ? ? ? 77 GLU B CA 1 -ATOM 3385 C C . GLU F 3 77 ? 19.249 41.774 11.235 1.00 44.95 ? ? ? ? ? ? 77 GLU B C 1 -ATOM 3386 O O . GLU F 3 77 ? 18.221 41.088 11.202 1.00 45.76 ? ? ? ? ? ? 77 GLU B O 1 -ATOM 3387 C CB . GLU F 3 77 ? 19.208 43.612 9.612 1.00 48.64 ? ? ? ? ? ? 77 GLU B CB 1 -ATOM 3388 C CG . GLU F 3 77 ? 18.552 44.908 9.138 1.00 52.08 ? ? ? ? ? ? 77 GLU B CG 1 -ATOM 3389 C CD . GLU F 3 77 ? 18.171 44.831 7.671 1.00 54.09 ? ? ? ? ? ? 77 GLU B CD 1 -ATOM 3390 O OE1 . GLU F 3 77 ? 18.175 43.704 7.134 1.00 51.05 ? ? ? ? ? ? 77 GLU B OE1 1 -ATOM 3391 O OE2 . GLU F 3 77 ? 17.857 45.877 7.054 1.00 55.00 ? ? ? ? ? ? 77 GLU B OE2 1 -ATOM 3392 N N . GLU F 3 78 ? 20.466 41.241 11.354 1.00 50.83 ? ? ? ? ? ? 78 GLU B N 1 -ATOM 3393 C CA . GLU F 3 78 ? 20.731 39.790 11.461 1.00 52.94 ? ? ? ? ? ? 78 GLU B CA 1 -ATOM 3394 C C . GLU F 3 78 ? 20.285 38.940 10.262 1.00 51.17 ? ? ? ? ? ? 78 GLU B C 1 -ATOM 3395 O O . GLU F 3 78 ? 19.262 39.167 9.591 1.00 50.16 ? ? ? ? ? ? 78 GLU B O 1 -ATOM 3396 C CB . GLU F 3 78 ? 20.077 39.189 12.722 1.00 54.64 ? ? ? ? ? ? 78 GLU B CB 1 -ATOM 3397 C CG . GLU F 3 78 ? 21.044 39.015 13.916 1.00 55.00 ? ? ? ? ? ? 78 GLU B CG 1 -ATOM 3398 C CD . GLU F 3 78 ? 22.232 38.065 13.635 1.00 55.00 ? ? ? ? ? ? 78 GLU B CD 1 -ATOM 3399 O OE1 . GLU F 3 78 ? 22.070 36.827 13.770 1.00 55.00 ? ? ? ? ? ? 78 GLU B OE1 1 -ATOM 3400 O OE2 . GLU F 3 78 ? 23.330 38.561 13.283 1.00 55.00 ? ? ? ? ? ? 78 GLU B OE2 1 -ATOM 3401 N N . GLY F 3 79 ? 21.100 37.907 10.074 1.00 45.38 ? ? ? ? ? ? 79 GLY B N 1 -ATOM 3402 C CA . GLY F 3 79 ? 20.997 36.985 8.969 1.00 40.99 ? ? ? ? ? ? 79 GLY B CA 1 -ATOM 3403 C C . GLY F 3 79 ? 22.317 37.202 8.265 1.00 42.94 ? ? ? ? ? ? 79 GLY B C 1 -ATOM 3404 O O . GLY F 3 79 ? 23.042 36.249 7.951 1.00 49.32 ? ? ? ? ? ? 79 GLY B O 1 -ATOM 3405 N N . GLN F 3 80 ? 22.630 38.501 8.117 1.00 37.62 ? ? ? ? ? ? 80 GLN B N 1 -ATOM 3406 C CA . GLN F 3 80 ? 23.809 39.075 7.439 1.00 31.92 ? ? ? ? ? ? 80 GLN B CA 1 -ATOM 3407 C C . GLN F 3 80 ? 25.230 38.745 7.967 1.00 30.12 ? ? ? ? ? ? 80 GLN B C 1 -ATOM 3408 O O . GLN F 3 80 ? 25.429 38.091 9.007 1.00 32.62 ? ? ? ? ? ? 80 GLN B O 1 -ATOM 3409 C CB . GLN F 3 80 ? 23.641 40.608 7.392 1.00 33.45 ? ? ? ? ? ? 80 GLN B CB 1 -ATOM 3410 C CG . GLN F 3 80 ? 23.357 41.336 8.725 1.00 31.32 ? ? ? ? ? ? 80 GLN B CG 1 -ATOM 3411 C CD . GLN F 3 80 ? 23.089 42.804 8.480 1.00 29.75 ? ? ? ? ? ? 80 GLN B CD 1 -ATOM 3412 O OE1 . GLN F 3 80 ? 23.831 43.469 7.764 1.00 35.74 ? ? ? ? ? ? 80 GLN B OE1 1 -ATOM 3413 N NE2 . GLN F 3 80 ? 22.016 43.312 9.052 1.00 27.54 ? ? ? ? ? ? 80 GLN B NE2 1 -ATOM 3414 N N . GLU F 3 81 ? 26.213 39.250 7.217 1.00 24.00 ? ? ? ? ? ? 81 GLU B N 1 -ATOM 3415 C CA . GLU F 3 81 ? 27.633 39.014 7.458 1.00 22.61 ? ? ? ? ? ? 81 GLU B CA 1 -ATOM 3416 C C . GLU F 3 81 ? 28.568 40.252 7.533 1.00 21.19 ? ? ? ? ? ? 81 GLU B C 1 -ATOM 3417 O O . GLU F 3 81 ? 28.246 41.355 7.136 1.00 27.65 ? ? ? ? ? ? 81 GLU B O 1 -ATOM 3418 C CB . GLU F 3 81 ? 28.112 38.029 6.369 1.00 32.49 ? ? ? ? ? ? 81 GLU B CB 1 -ATOM 3419 C CG . GLU F 3 81 ? 27.521 38.217 4.937 1.00 43.60 ? ? ? ? ? ? 81 GLU B CG 1 -ATOM 3420 C CD . GLU F 3 81 ? 27.644 36.960 4.024 1.00 49.63 ? ? ? ? ? ? 81 GLU B CD 1 -ATOM 3421 O OE1 . GLU F 3 81 ? 28.283 37.044 2.934 1.00 51.23 ? ? ? ? ? ? 81 GLU B OE1 1 -ATOM 3422 O OE2 . GLU F 3 81 ? 27.082 35.893 4.402 1.00 45.25 ? ? ? ? ? ? 81 GLU B OE2 1 -ATOM 3423 N N . ARG F 3 82 ? 29.741 40.036 8.098 1.00 18.77 ? ? ? ? ? ? 82 ARG B N 1 -ATOM 3424 C CA . ARG F 3 82 ? 30.745 41.051 8.269 1.00 20.60 ? ? ? ? ? ? 82 ARG B CA 1 -ATOM 3425 C C . ARG F 3 82 ? 30.862 41.707 6.932 1.00 20.92 ? ? ? ? ? ? 82 ARG B C 1 -ATOM 3426 O O . ARG F 3 82 ? 31.053 41.004 5.944 1.00 27.79 ? ? ? ? ? ? 82 ARG B O 1 -ATOM 3427 C CB . ARG F 3 82 ? 32.057 40.406 8.637 1.00 16.57 ? ? ? ? ? ? 82 ARG B CB 1 -ATOM 3428 C CG . ARG F 3 82 ? 31.906 39.311 9.680 1.00 23.83 ? ? ? ? ? ? 82 ARG B CG 1 -ATOM 3429 C CD . ARG F 3 82 ? 31.890 39.738 11.121 1.00 22.31 ? ? ? ? ? ? 82 ARG B CD 1 -ATOM 3430 N NE . ARG F 3 82 ? 30.875 40.691 11.544 1.00 17.44 ? ? ? ? ? ? 82 ARG B NE 1 -ATOM 3431 C CZ . ARG F 3 82 ? 30.657 40.952 12.833 1.00 21.56 ? ? ? ? ? ? 82 ARG B CZ 1 -ATOM 3432 N NH1 . ARG F 3 82 ? 31.364 40.336 13.788 1.00 21.77 ? ? ? ? ? ? 82 ARG B NH1 1 -ATOM 3433 N NH2 . ARG F 3 82 ? 29.746 41.829 13.185 1.00 9.90 ? ? ? ? ? ? 82 ARG B NH2 1 -ATOM 3434 N N . SER F 3 83 ? 30.751 43.033 6.900 1.00 29.02 ? ? ? ? ? ? 83 SER B N 1 -ATOM 3435 C CA . SER F 3 83 ? 30.806 43.834 5.654 1.00 19.08 ? ? ? ? ? ? 83 SER B CA 1 -ATOM 3436 C C . SER F 3 83 ? 32.229 44.037 5.112 1.00 12.88 ? ? ? ? ? ? 83 SER B C 1 -ATOM 3437 O O . SER F 3 83 ? 32.389 44.177 3.899 1.00 6.00 ? ? ? ? ? ? 83 SER B O 1 -ATOM 3438 C CB . SER F 3 83 ? 30.191 45.242 5.871 1.00 6.00 ? ? ? ? ? ? 83 SER B CB 1 -ATOM 3439 O OG . SER F 3 83 ? 31.173 46.099 6.454 1.00 6.95 ? ? ? ? ? ? 83 SER B OG 1 -ATOM 3440 N N . ALA F 3 84 ? 33.231 44.059 6.001 1.00 6.77 ? ? ? ? ? ? 84 ALA B N 1 -ATOM 3441 C CA . ALA F 3 84 ? 34.635 44.348 5.639 1.00 6.00 ? ? ? ? ? ? 84 ALA B CA 1 -ATOM 3442 C C . ALA F 3 84 ? 35.613 43.398 6.270 1.00 6.00 ? ? ? ? ? ? 84 ALA B C 1 -ATOM 3443 O O . ALA F 3 84 ? 35.260 42.407 6.800 1.00 7.62 ? ? ? ? ? ? 84 ALA B O 1 -ATOM 3444 C CB . ALA F 3 84 ? 34.998 45.770 6.074 1.00 7.89 ? ? ? ? ? ? 84 ALA B CB 1 -ATOM 3445 N N . TRP F 3 85 ? 36.876 43.705 6.195 1.00 6.00 ? ? ? ? ? ? 85 TRP B N 1 -ATOM 3446 C CA . TRP F 3 85 ? 37.862 42.896 6.861 1.00 6.00 ? ? ? ? ? ? 85 TRP B CA 1 -ATOM 3447 C C . TRP F 3 85 ? 38.463 43.731 8.020 1.00 10.46 ? ? ? ? ? ? 85 TRP B C 1 -ATOM 3448 O O . TRP F 3 85 ? 38.644 44.935 7.870 1.00 23.59 ? ? ? ? ? ? 85 TRP B O 1 -ATOM 3449 C CB . TRP F 3 85 ? 38.928 42.554 5.895 1.00 7.07 ? ? ? ? ? ? 85 TRP B CB 1 -ATOM 3450 C CG . TRP F 3 85 ? 39.386 41.157 5.945 1.00 24.14 ? ? ? ? ? ? 85 TRP B CG 1 -ATOM 3451 C CD1 . TRP F 3 85 ? 40.187 40.593 6.875 1.00 32.33 ? ? ? ? ? ? 85 TRP B CD1 1 -ATOM 3452 C CD2 . TRP F 3 85 ? 39.087 40.142 4.986 1.00 29.73 ? ? ? ? ? ? 85 TRP B CD2 1 -ATOM 3453 N NE1 . TRP F 3 85 ? 40.418 39.269 6.565 1.00 33.73 ? ? ? ? ? ? 85 TRP B NE1 1 -ATOM 3454 C CE2 . TRP F 3 85 ? 39.747 38.963 5.412 1.00 37.12 ? ? ? ? ? ? 85 TRP B CE2 1 -ATOM 3455 C CE3 . TRP F 3 85 ? 38.320 40.114 3.814 1.00 24.54 ? ? ? ? ? ? 85 TRP B CE3 1 -ATOM 3456 C CZ2 . TRP F 3 85 ? 39.671 37.761 4.704 1.00 37.70 ? ? ? ? ? ? 85 TRP B CZ2 1 -ATOM 3457 C CZ3 . TRP F 3 85 ? 38.236 38.939 3.116 1.00 34.03 ? ? ? ? ? ? 85 TRP B CZ3 1 -ATOM 3458 C CH2 . TRP F 3 85 ? 38.914 37.769 3.561 1.00 36.54 ? ? ? ? ? ? 85 TRP B CH2 1 -ATOM 3459 N N . VAL F 3 86 ? 38.770 43.133 9.171 1.00 16.12 ? ? ? ? ? ? 86 VAL B N 1 -ATOM 3460 C CA . VAL F 3 86 ? 39.413 43.898 10.244 1.00 12.63 ? ? ? ? ? ? 86 VAL B CA 1 -ATOM 3461 C C . VAL F 3 86 ? 40.687 43.177 10.754 1.00 14.66 ? ? ? ? ? ? 86 VAL B C 1 -ATOM 3462 O O . VAL F 3 86 ? 40.550 42.220 11.482 1.00 17.35 ? ? ? ? ? ? 86 VAL B O 1 -ATOM 3463 C CB . VAL F 3 86 ? 38.485 44.080 11.462 1.00 7.66 ? ? ? ? ? ? 86 VAL B CB 1 -ATOM 3464 C CG1 . VAL F 3 86 ? 39.137 45.006 12.419 1.00 6.00 ? ? ? ? ? ? 86 VAL B CG1 1 -ATOM 3465 C CG2 . VAL F 3 86 ? 37.178 44.615 11.065 1.00 6.00 ? ? ? ? ? ? 86 VAL B CG2 1 -ATOM 3466 N N . ARG F 3 87 ? 41.887 43.616 10.364 1.00 6.92 ? ? ? ? ? ? 87 ARG B N 1 -ATOM 3467 C CA . ARG F 3 87 ? 43.162 43.049 10.788 1.00 6.00 ? ? ? ? ? ? 87 ARG B CA 1 -ATOM 3468 C C . ARG F 3 87 ? 43.720 43.908 11.893 1.00 17.11 ? ? ? ? ? ? 87 ARG B C 1 -ATOM 3469 O O . ARG F 3 87 ? 43.380 45.089 12.018 1.00 33.23 ? ? ? ? ? ? 87 ARG B O 1 -ATOM 3470 C CB . ARG F 3 87 ? 44.243 43.046 9.714 1.00 16.01 ? ? ? ? ? ? 87 ARG B CB 1 -ATOM 3471 C CG . ARG F 3 87 ? 43.895 42.297 8.455 1.00 37.49 ? ? ? ? ? ? 87 ARG B CG 1 -ATOM 3472 C CD . ARG F 3 87 ? 45.080 42.197 7.480 1.00 49.03 ? ? ? ? ? ? 87 ARG B CD 1 -ATOM 3473 N NE . ARG F 3 87 ? 44.744 41.681 6.136 1.00 55.00 ? ? ? ? ? ? 87 ARG B NE 1 -ATOM 3474 C CZ . ARG F 3 87 ? 43.799 40.784 5.827 1.00 50.58 ? ? ? ? ? ? 87 ARG B CZ 1 -ATOM 3475 N NH1 . ARG F 3 87 ? 43.028 40.251 6.777 1.00 42.50 ? ? ? ? ? ? 87 ARG B NH1 1 -ATOM 3476 N NH2 . ARG F 3 87 ? 43.641 40.410 4.547 1.00 43.58 ? ? ? ? ? ? 87 ARG B NH2 1 -ATOM 3477 N N . ALA F 3 88 ? 44.626 43.316 12.666 1.00 26.11 ? ? ? ? ? ? 88 ALA B N 1 -ATOM 3478 C CA . ALA F 3 88 ? 45.247 43.954 13.798 1.00 20.18 ? ? ? ? ? ? 88 ALA B CA 1 -ATOM 3479 C C . ALA F 3 88 ? 46.468 44.676 13.343 1.00 16.68 ? ? ? ? ? ? 88 ALA B C 1 -ATOM 3480 O O . ALA F 3 88 ? 47.427 44.031 12.974 1.00 9.84 ? ? ? ? ? ? 88 ALA B O 1 -ATOM 3481 C CB . ALA F 3 88 ? 45.604 42.906 14.804 1.00 12.50 ? ? ? ? ? ? 88 ALA B CB 1 -ATOM 3482 N N . LYS F 3 89 ? 46.452 46.003 13.357 1.00 16.04 ? ? ? ? ? ? 89 LYS B N 1 -ATOM 3483 C CA . LYS F 3 89 ? 47.628 46.791 12.938 1.00 17.40 ? ? ? ? ? ? 89 LYS B CA 1 -ATOM 3484 C C . LYS F 3 89 ? 48.736 46.569 13.968 1.00 20.68 ? ? ? ? ? ? 89 LYS B C 1 -ATOM 3485 O O . LYS F 3 89 ? 49.912 46.681 13.658 1.00 28.02 ? ? ? ? ? ? 89 LYS B O 1 -ATOM 3486 C CB . LYS F 3 89 ? 47.282 48.291 12.880 1.00 20.11 ? ? ? ? ? ? 89 LYS B CB 1 -ATOM 3487 C CG . LYS F 3 89 ? 47.987 49.149 11.791 1.00 21.48 ? ? ? ? ? ? 89 LYS B CG 1 -ATOM 3488 C CD . LYS F 3 89 ? 47.782 50.655 12.018 1.00 13.64 ? ? ? ? ? ? 89 LYS B CD 1 -ATOM 3489 C CE . LYS F 3 89 ? 46.440 50.993 12.682 1.00 21.46 ? ? ? ? ? ? 89 LYS B CE 1 -ATOM 3490 N NZ . LYS F 3 89 ? 45.174 50.561 12.029 1.00 19.98 ? ? ? ? ? ? 89 LYS B NZ 1 -ATOM 3491 N N . THR F 3 90 ? 48.322 46.262 15.198 1.00 29.60 ? ? ? ? ? ? 90 THR B N 1 -ATOM 3492 C CA . THR F 3 90 ? 49.186 45.987 16.366 1.00 30.38 ? ? ? ? ? ? 90 THR B CA 1 -ATOM 3493 C C . THR F 3 90 ? 48.403 45.244 17.506 1.00 30.23 ? ? ? ? ? ? 90 THR B C 1 -ATOM 3494 O O . THR F 3 90 ? 47.251 44.791 17.308 1.00 28.51 ? ? ? ? ? ? 90 THR B O 1 -ATOM 3495 C CB . THR F 3 90 ? 49.770 47.326 16.928 1.00 35.36 ? ? ? ? ? ? 90 THR B CB 1 -ATOM 3496 O OG1 . THR F 3 90 ? 48.716 48.292 17.067 1.00 33.67 ? ? ? ? ? ? 90 THR B OG1 1 -ATOM 3497 C CG2 . THR F 3 90 ? 50.849 47.885 15.990 1.00 37.99 ? ? ? ? ? ? 90 THR B CG2 1 -ATOM 3498 N N . ALA F 3 91 ? 49.003 45.109 18.689 1.00 19.33 ? ? ? ? ? ? 91 ALA B N 1 -ATOM 3499 C CA . ALA F 3 91 ? 48.317 44.408 19.764 1.00 12.40 ? ? ? ? ? ? 91 ALA B CA 1 -ATOM 3500 C C . ALA F 3 91 ? 47.097 45.133 20.262 1.00 13.58 ? ? ? ? ? ? 91 ALA B C 1 -ATOM 3501 O O . ALA F 3 91 ? 47.061 46.351 20.409 1.00 20.36 ? ? ? ? ? ? 91 ALA B O 1 -ATOM 3502 C CB . ALA F 3 91 ? 49.257 44.185 20.909 1.00 22.11 ? ? ? ? ? ? 91 ALA B CB 1 -ATOM 3503 N N . CYS F 3 92 ? 46.109 44.341 20.632 1.00 15.53 ? ? ? ? ? ? 92 CYS B N 1 -ATOM 3504 C CA . CYS F 3 92 ? 44.858 44.917 21.019 1.00 17.95 ? ? ? ? ? ? 92 CYS B CA 1 -ATOM 3505 C C . CYS F 3 92 ? 44.111 44.123 22.055 1.00 23.53 ? ? ? ? ? ? 92 CYS B C 1 -ATOM 3506 O O . CYS F 3 92 ? 44.165 42.919 22.105 1.00 26.59 ? ? ? ? ? ? 92 CYS B O 1 -ATOM 3507 C CB . CYS F 3 92 ? 43.913 45.049 19.806 1.00 24.64 ? ? ? ? ? ? 92 CYS B CB 1 -ATOM 3508 S SG . CYS F 3 92 ? 44.491 45.838 18.270 1.00 30.34 ? ? ? ? ? ? 92 CYS B SG 1 -ATOM 3509 N N . GLU F 3 93 ? 43.400 44.823 22.902 1.00 22.27 ? ? ? ? ? ? 93 GLU B N 1 -ATOM 3510 C CA . GLU F 3 93 ? 42.520 44.157 23.799 1.00 24.30 ? ? ? ? ? ? 93 GLU B CA 1 -ATOM 3511 C C . GLU F 3 93 ? 41.149 44.479 23.416 1.00 23.89 ? ? ? ? ? ? 93 GLU B C 1 -ATOM 3512 O O . GLU F 3 93 ? 40.797 45.641 23.353 1.00 23.65 ? ? ? ? ? ? 93 GLU B O 1 -ATOM 3513 C CB . GLU F 3 93 ? 42.816 44.560 25.282 1.00 35.19 ? ? ? ? ? ? 93 GLU B CB 1 -ATOM 3514 C CG . GLU F 3 93 ? 43.674 43.553 26.126 1.00 27.78 ? ? ? ? ? ? 93 GLU B CG 1 -ATOM 3515 C CD . GLU F 3 93 ? 44.121 44.067 27.531 1.00 39.91 ? ? ? ? ? ? 93 GLU B CD 1 -ATOM 3516 O OE1 . GLU F 3 93 ? 45.333 44.380 27.696 1.00 33.18 ? ? ? ? ? ? 93 GLU B OE1 1 -ATOM 3517 O OE2 . GLU F 3 93 ? 43.273 44.161 28.461 1.00 40.19 ? ? ? ? ? ? 93 GLU B OE2 1 -ATOM 3518 N N . VAL F 3 94 ? 40.409 43.438 23.128 1.00 20.98 ? ? ? ? ? ? 94 VAL B N 1 -ATOM 3519 C CA . VAL F 3 94 ? 39.140 43.615 22.515 1.00 21.41 ? ? ? ? ? ? 94 VAL B CA 1 -ATOM 3520 C C . VAL F 3 94 ? 38.048 43.008 23.314 1.00 22.80 ? ? ? ? ? ? 94 VAL B C 1 -ATOM 3521 O O . VAL F 3 94 ? 37.997 41.784 23.484 1.00 22.76 ? ? ? ? ? ? 94 VAL B O 1 -ATOM 3522 C CB . VAL F 3 94 ? 39.199 42.997 21.107 1.00 15.89 ? ? ? ? ? ? 94 VAL B CB 1 -ATOM 3523 C CG1 . VAL F 3 94 ? 37.970 43.353 20.344 1.00 18.97 ? ? ? ? ? ? 94 VAL B CG1 1 -ATOM 3524 C CG2 . VAL F 3 94 ? 40.448 43.490 20.400 1.00 15.61 ? ? ? ? ? ? 94 VAL B CG2 1 -ATOM 3525 N N . ALA F 3 95 ? 37.167 43.864 23.809 1.00 18.25 ? ? ? ? ? ? 95 ALA B N 1 -ATOM 3526 C CA . ALA F 3 95 ? 36.067 43.364 24.597 1.00 18.99 ? ? ? ? ? ? 95 ALA B CA 1 -ATOM 3527 C C . ALA F 3 95 ? 35.115 42.864 23.560 1.00 17.66 ? ? ? ? ? ? 95 ALA B C 1 -ATOM 3528 O O . ALA F 3 95 ? 34.971 43.573 22.567 1.00 8.82 ? ? ? ? ? ? 95 ALA B O 1 -ATOM 3529 C CB . ALA F 3 95 ? 35.441 44.497 25.437 1.00 21.84 ? ? ? ? ? ? 95 ALA B CB 1 -ATOM 3530 N N . GLU F 3 96 ? 34.514 41.679 23.789 1.00 13.83 ? ? ? ? ? ? 96 GLU B N 1 -ATOM 3531 C CA . GLU F 3 96 ? 33.592 41.030 22.862 1.00 11.93 ? ? ? ? ? ? 96 GLU B CA 1 -ATOM 3532 C C . GLU F 3 96 ? 32.340 40.664 23.612 1.00 14.51 ? ? ? ? ? ? 96 GLU B C 1 -ATOM 3533 O O . GLU F 3 96 ? 32.428 40.087 24.683 1.00 32.79 ? ? ? ? ? ? 96 GLU B O 1 -ATOM 3534 C CB . GLU F 3 96 ? 34.254 39.766 22.265 1.00 20.40 ? ? ? ? ? ? 96 GLU B CB 1 -ATOM 3535 C CG . GLU F 3 96 ? 33.574 39.273 20.935 1.00 28.95 ? ? ? ? ? ? 96 GLU B CG 1 -ATOM 3536 C CD . GLU F 3 96 ? 34.422 38.319 20.052 1.00 35.80 ? ? ? ? ? ? 96 GLU B CD 1 -ATOM 3537 O OE1 . GLU F 3 96 ? 35.673 38.240 20.153 1.00 26.69 ? ? ? ? ? ? 96 GLU B OE1 1 -ATOM 3538 O OE2 . GLU F 3 96 ? 33.818 37.634 19.215 1.00 40.51 ? ? ? ? ? ? 96 GLU B OE2 1 -ATOM 3539 N N . ILE F 3 97 ? 31.188 41.012 23.039 1.00 27.77 ? ? ? ? ? ? 97 ILE B N 1 -ATOM 3540 C CA . ILE F 3 97 ? 29.834 40.816 23.603 1.00 25.08 ? ? ? ? ? ? 97 ILE B CA 1 -ATOM 3541 C C . ILE F 3 97 ? 29.009 40.262 22.458 1.00 30.78 ? ? ? ? ? ? 97 ILE B C 1 -ATOM 3542 O O . ILE F 3 97 ? 29.191 40.726 21.325 1.00 31.49 ? ? ? ? ? ? 97 ILE B O 1 -ATOM 3543 C CB . ILE F 3 97 ? 29.055 42.101 23.952 1.00 21.23 ? ? ? ? ? ? 97 ILE B CB 1 -ATOM 3544 C CG1 . ILE F 3 97 ? 30.038 43.172 24.341 1.00 26.71 ? ? ? ? ? ? 97 ILE B CG1 1 -ATOM 3545 C CG2 . ILE F 3 97 ? 28.044 41.845 25.067 1.00 11.21 ? ? ? ? ? ? 97 ILE B CG2 1 -ATOM 3546 C CD1 . ILE F 3 97 ? 29.385 44.524 24.558 1.00 35.75 ? ? ? ? ? ? 97 ILE B CD1 1 -ATOM 3547 N N . SER F 3 98 ? 28.094 39.328 22.711 1.00 26.24 ? ? ? ? ? ? 98 SER B N 1 -ATOM 3548 C CA . SER F 3 98 ? 27.290 38.872 21.596 1.00 21.67 ? ? ? ? ? ? 98 SER B CA 1 -ATOM 3549 C C . SER F 3 98 ? 26.376 40.022 21.281 1.00 25.28 ? ? ? ? ? ? 98 SER B C 1 -ATOM 3550 O O . SER F 3 98 ? 26.097 40.903 22.118 1.00 21.48 ? ? ? ? ? ? 98 SER B O 1 -ATOM 3551 C CB . SER F 3 98 ? 26.394 37.638 21.928 1.00 22.74 ? ? ? ? ? ? 98 SER B CB 1 -ATOM 3552 O OG . SER F 3 98 ? 25.116 37.952 22.500 1.00 14.02 ? ? ? ? ? ? 98 SER B OG 1 -ATOM 3553 N N . TYR F 3 99 ? 25.888 40.018 20.065 1.00 34.58 ? ? ? ? ? ? 99 TYR B N 1 -ATOM 3554 C CA . TYR F 3 99 ? 24.922 41.017 19.717 1.00 34.34 ? ? ? ? ? ? 99 TYR B CA 1 -ATOM 3555 C C . TYR F 3 99 ? 23.836 40.998 20.792 1.00 36.42 ? ? ? ? ? ? 99 TYR B C 1 -ATOM 3556 O O . TYR F 3 99 ? 23.600 42.001 21.489 1.00 22.23 ? ? ? ? ? ? 99 TYR B O 1 -ATOM 3557 C CB . TYR F 3 99 ? 24.379 40.672 18.338 1.00 24.78 ? ? ? ? ? ? 99 TYR B CB 1 -ATOM 3558 C CG . TYR F 3 99 ? 25.244 41.217 17.212 1.00 24.92 ? ? ? ? ? ? 99 TYR B CG 1 -ATOM 3559 C CD1 . TYR F 3 99 ? 26.309 42.092 17.472 1.00 22.72 ? ? ? ? ? ? 99 TYR B CD1 1 -ATOM 3560 C CD2 . TYR F 3 99 ? 24.941 40.932 15.890 1.00 17.99 ? ? ? ? ? ? 99 TYR B CD2 1 -ATOM 3561 C CE1 . TYR F 3 99 ? 27.018 42.660 16.435 1.00 20.29 ? ? ? ? ? ? 99 TYR B CE1 1 -ATOM 3562 C CE2 . TYR F 3 99 ? 25.648 41.500 14.863 1.00 19.77 ? ? ? ? ? ? 99 TYR B CE2 1 -ATOM 3563 C CZ . TYR F 3 99 ? 26.680 42.368 15.136 1.00 17.87 ? ? ? ? ? ? 99 TYR B CZ 1 -ATOM 3564 O OH . TYR F 3 99 ? 27.328 42.983 14.086 1.00 17.59 ? ? ? ? ? ? 99 TYR B OH 1 -ATOM 3565 N N . LYS F 3 100 ? 23.298 39.789 20.971 1.00 41.39 ? ? ? ? ? ? 100 LYS B N 1 -ATOM 3566 C CA . LYS F 3 100 ? 22.216 39.479 21.898 1.00 45.09 ? ? ? ? ? ? 100 LYS B CA 1 -ATOM 3567 C C . LYS F 3 100 ? 22.383 40.037 23.298 1.00 45.22 ? ? ? ? ? ? 100 LYS B C 1 -ATOM 3568 O O . LYS F 3 100 ? 21.424 40.633 23.821 1.00 45.43 ? ? ? ? ? ? 100 LYS B O 1 -ATOM 3569 C CB . LYS F 3 100 ? 22.038 37.963 21.978 1.00 52.10 ? ? ? ? ? ? 100 LYS B CB 1 -ATOM 3570 C CG . LYS F 3 100 ? 21.205 37.410 20.826 1.00 55.00 ? ? ? ? ? ? 100 LYS B CG 1 -ATOM 3571 C CD . LYS F 3 100 ? 21.606 35.999 20.449 1.00 46.03 ? ? ? ? ? ? 100 LYS B CD 1 -ATOM 3572 C CE . LYS F 3 100 ? 23.085 36.019 20.072 1.00 55.00 ? ? ? ? ? ? 100 LYS B CE 1 -ATOM 3573 N NZ . LYS F 3 100 ? 23.471 37.245 19.279 1.00 43.44 ? ? ? ? ? ? 100 LYS B NZ 1 -ATOM 3574 N N . LYS F 3 101 ? 23.517 39.878 23.970 1.00 38.98 ? ? ? ? ? ? 101 LYS B N 1 -ATOM 3575 C CA . LYS F 3 101 ? 23.527 40.494 25.269 1.00 43.30 ? ? ? ? ? ? 101 LYS B CA 1 -ATOM 3576 C C . LYS F 3 101 ? 23.475 42.005 25.053 1.00 43.04 ? ? ? ? ? ? 101 LYS B C 1 -ATOM 3577 O O . LYS F 3 101 ? 22.738 42.702 25.760 1.00 39.45 ? ? ? ? ? ? 101 LYS B O 1 -ATOM 3578 C CB . LYS F 3 101 ? 24.778 40.128 26.076 1.00 47.21 ? ? ? ? ? ? 101 LYS B CB 1 -ATOM 3579 C CG . LYS F 3 101 ? 24.420 39.340 27.371 1.00 49.39 ? ? ? ? ? ? 101 LYS B CG 1 -ATOM 3580 C CD . LYS F 3 101 ? 23.393 40.084 28.264 1.00 55.00 ? ? ? ? ? ? 101 LYS B CD 1 -ATOM 3581 C CE . LYS F 3 101 ? 22.842 39.294 29.487 1.00 47.16 ? ? ? ? ? ? 101 LYS B CE 1 -ATOM 3582 N NZ . LYS F 3 101 ? 23.739 39.142 30.656 1.00 42.69 ? ? ? ? ? ? 101 LYS B NZ 1 -ATOM 3583 N N . PHE F 3 102 ? 24.178 42.516 24.041 1.00 41.40 ? ? ? ? ? ? 102 PHE B N 1 -ATOM 3584 C CA . PHE F 3 102 ? 24.165 43.961 23.816 1.00 37.49 ? ? ? ? ? ? 102 PHE B CA 1 -ATOM 3585 C C . PHE F 3 102 ? 22.785 44.494 23.454 1.00 35.61 ? ? ? ? ? ? 102 PHE B C 1 -ATOM 3586 O O . PHE F 3 102 ? 22.362 45.545 23.975 1.00 45.48 ? ? ? ? ? ? 102 PHE B O 1 -ATOM 3587 C CB . PHE F 3 102 ? 25.098 44.356 22.707 1.00 33.29 ? ? ? ? ? ? 102 PHE B CB 1 -ATOM 3588 C CG . PHE F 3 102 ? 25.442 45.812 22.725 1.00 34.45 ? ? ? ? ? ? 102 PHE B CG 1 -ATOM 3589 C CD1 . PHE F 3 102 ? 26.388 46.300 23.636 1.00 37.00 ? ? ? ? ? ? 102 PHE B CD1 1 -ATOM 3590 C CD2 . PHE F 3 102 ? 24.856 46.700 21.824 1.00 30.26 ? ? ? ? ? ? 102 PHE B CD2 1 -ATOM 3591 C CE1 . PHE F 3 102 ? 26.752 47.666 23.641 1.00 30.37 ? ? ? ? ? ? 102 PHE B CE1 1 -ATOM 3592 C CE2 . PHE F 3 102 ? 25.214 48.058 21.822 1.00 28.37 ? ? ? ? ? ? 102 PHE B CE2 1 -ATOM 3593 C CZ . PHE F 3 102 ? 26.163 48.533 22.731 1.00 33.87 ? ? ? ? ? ? 102 PHE B CZ 1 -ATOM 3594 N N . ARG F 3 103 ? 22.067 43.792 22.590 1.00 28.86 ? ? ? ? ? ? 103 ARG B N 1 -ATOM 3595 C CA . ARG F 3 103 ? 20.728 44.225 22.227 1.00 29.67 ? ? ? ? ? ? 103 ARG B CA 1 -ATOM 3596 C C . ARG F 3 103 ? 19.947 44.491 23.519 1.00 32.28 ? ? ? ? ? ? 103 ARG B C 1 -ATOM 3597 O O . ARG F 3 103 ? 19.036 45.314 23.560 1.00 37.56 ? ? ? ? ? ? 103 ARG B O 1 -ATOM 3598 C CB . ARG F 3 103 ? 20.048 43.129 21.405 1.00 39.46 ? ? ? ? ? ? 103 ARG B CB 1 -ATOM 3599 C CG . ARG F 3 103 ? 18.956 43.610 20.426 1.00 43.95 ? ? ? ? ? ? 103 ARG B CG 1 -ATOM 3600 C CD . ARG F 3 103 ? 18.323 42.440 19.636 1.00 39.97 ? ? ? ? ? ? 103 ARG B CD 1 -ATOM 3601 N NE . ARG F 3 103 ? 19.280 41.520 19.018 1.00 31.23 ? ? ? ? ? ? 103 ARG B NE 1 -ATOM 3602 C CZ . ARG F 3 103 ? 20.363 41.891 18.344 1.00 39.74 ? ? ? ? ? ? 103 ARG B CZ 1 -ATOM 3603 N NH1 . ARG F 3 103 ? 20.653 43.172 18.186 1.00 41.47 ? ? ? ? ? ? 103 ARG B NH1 1 -ATOM 3604 N NH2 . ARG F 3 103 ? 21.161 40.977 17.818 1.00 40.06 ? ? ? ? ? ? 103 ARG B NH2 1 -ATOM 3605 N N . GLN F 3 104 ? 20.319 43.766 24.571 1.00 36.68 ? ? ? ? ? ? 104 GLN B N 1 -ATOM 3606 C CA . GLN F 3 104 ? 19.729 43.908 25.893 1.00 36.85 ? ? ? ? ? ? 104 GLN B CA 1 -ATOM 3607 C C . GLN F 3 104 ? 20.252 45.120 26.663 1.00 35.07 ? ? ? ? ? ? 104 GLN B C 1 -ATOM 3608 O O . GLN F 3 104 ? 19.432 45.907 27.118 1.00 43.70 ? ? ? ? ? ? 104 GLN B O 1 -ATOM 3609 C CB . GLN F 3 104 ? 19.995 42.667 26.764 1.00 45.84 ? ? ? ? ? ? 104 GLN B CB 1 -ATOM 3610 C CG . GLN F 3 104 ? 19.316 41.355 26.350 1.00 50.71 ? ? ? ? ? ? 104 GLN B CG 1 -ATOM 3611 C CD . GLN F 3 104 ? 19.618 40.226 27.322 1.00 45.87 ? ? ? ? ? ? 104 GLN B CD 1 -ATOM 3612 O OE1 . GLN F 3 104 ? 20.110 40.452 28.428 1.00 49.19 ? ? ? ? ? ? 104 GLN B OE1 1 -ATOM 3613 N NE2 . GLN F 3 104 ? 19.331 39.005 26.910 1.00 45.34 ? ? ? ? ? ? 104 GLN B NE2 1 -ATOM 3614 N N . LEU F 3 105 ? 21.579 45.271 26.824 1.00 21.55 ? ? ? ? ? ? 105 LEU B N 1 -ATOM 3615 C CA . LEU F 3 105 ? 22.144 46.383 27.587 1.00 14.59 ? ? ? ? ? ? 105 LEU B CA 1 -ATOM 3616 C C . LEU F 3 105 ? 21.600 47.704 27.146 1.00 22.70 ? ? ? ? ? ? 105 LEU B C 1 -ATOM 3617 O O . LEU F 3 105 ? 21.640 48.661 27.937 1.00 28.95 ? ? ? ? ? ? 105 LEU B O 1 -ATOM 3618 C CB . LEU F 3 105 ? 23.653 46.479 27.457 1.00 19.00 ? ? ? ? ? ? 105 LEU B CB 1 -ATOM 3619 C CG . LEU F 3 105 ? 24.525 45.496 28.237 1.00 36.59 ? ? ? ? ? ? 105 LEU B CG 1 -ATOM 3620 C CD1 . LEU F 3 105 ? 24.304 44.076 27.746 1.00 35.92 ? ? ? ? ? ? 105 LEU B CD1 1 -ATOM 3621 C CD2 . LEU F 3 105 ? 25.997 45.893 28.046 1.00 39.67 ? ? ? ? ? ? 105 LEU B CD2 1 -ATOM 3622 N N . ILE F 3 106 ? 21.144 47.777 25.889 1.00 22.99 ? ? ? ? ? ? 106 ILE B N 1 -ATOM 3623 C CA . ILE F 3 106 ? 20.510 48.992 25.342 1.00 24.41 ? ? ? ? ? ? 106 ILE B CA 1 -ATOM 3624 C C . ILE F 3 106 ? 19.124 49.295 25.961 1.00 27.47 ? ? ? ? ? ? 106 ILE B C 1 -ATOM 3625 O O . ILE F 3 106 ? 18.757 50.464 26.118 1.00 32.60 ? ? ? ? ? ? 106 ILE B O 1 -ATOM 3626 C CB . ILE F 3 106 ? 20.402 48.840 23.792 1.00 33.40 ? ? ? ? ? ? 106 ILE B CB 1 -ATOM 3627 C CG1 . ILE F 3 106 ? 21.645 49.494 23.169 1.00 26.21 ? ? ? ? ? ? 106 ILE B CG1 1 -ATOM 3628 C CG2 . ILE F 3 106 ? 19.084 49.410 23.283 1.00 27.21 ? ? ? ? ? ? 106 ILE B CG2 1 -ATOM 3629 C CD1 . ILE F 3 106 ? 21.859 49.167 21.723 1.00 25.88 ? ? ? ? ? ? 106 ILE B CD1 1 -ATOM 3630 N N . GLN F 3 107 ? 18.363 48.250 26.292 1.00 36.21 ? ? ? ? ? ? 107 GLN B N 1 -ATOM 3631 C CA . GLN F 3 107 ? 17.030 48.326 26.947 1.00 39.50 ? ? ? ? ? ? 107 GLN B CA 1 -ATOM 3632 C C . GLN F 3 107 ? 17.081 48.867 28.391 1.00 43.18 ? ? ? ? ? ? 107 GLN B C 1 -ATOM 3633 O O . GLN F 3 107 ? 16.069 49.346 28.912 1.00 45.64 ? ? ? ? ? ? 107 GLN B O 1 -ATOM 3634 C CB . GLN F 3 107 ? 16.393 46.950 27.015 1.00 36.51 ? ? ? ? ? ? 107 GLN B CB 1 -ATOM 3635 C CG . GLN F 3 107 ? 16.034 46.394 25.701 1.00 43.78 ? ? ? ? ? ? 107 GLN B CG 1 -ATOM 3636 C CD . GLN F 3 107 ? 14.899 47.152 25.144 1.00 49.10 ? ? ? ? ? ? 107 GLN B CD 1 -ATOM 3637 O OE1 . GLN F 3 107 ? 14.085 47.705 25.894 1.00 55.00 ? ? ? ? ? ? 107 GLN B OE1 1 -ATOM 3638 N NE2 . GLN F 3 107 ? 14.819 47.205 23.826 1.00 52.69 ? ? ? ? ? ? 107 GLN B NE2 1 -ATOM 3639 N N . VAL F 3 108 ? 18.239 48.686 29.035 1.00 45.91 ? ? ? ? ? ? 108 VAL B N 1 -ATOM 3640 C CA . VAL F 3 108 ? 18.577 49.115 30.401 1.00 46.45 ? ? ? ? ? ? 108 VAL B CA 1 -ATOM 3641 C C . VAL F 3 108 ? 19.060 50.571 30.411 1.00 50.06 ? ? ? ? ? ? 108 VAL B C 1 -ATOM 3642 O O . VAL F 3 108 ? 18.607 51.412 31.205 1.00 45.24 ? ? ? ? ? ? 108 VAL B O 1 -ATOM 3643 C CB . VAL F 3 108 ? 19.693 48.194 30.968 1.00 48.78 ? ? ? ? ? ? 108 VAL B CB 1 -ATOM 3644 C CG1 . VAL F 3 108 ? 20.397 48.868 32.132 1.00 49.98 ? ? ? ? ? ? 108 VAL B CG1 1 -ATOM 3645 C CG2 . VAL F 3 108 ? 19.072 46.866 31.399 1.00 51.07 ? ? ? ? ? ? 108 VAL B CG2 1 -ATOM 3646 N N . ASN F 3 109 ? 20.003 50.854 29.516 1.00 51.18 ? ? ? ? ? ? 109 ASN B N 1 -ATOM 3647 C CA . ASN F 3 109 ? 20.571 52.186 29.392 1.00 49.47 ? ? ? ? ? ? 109 ASN B CA 1 -ATOM 3648 C C . ASN F 3 109 ? 20.694 52.580 27.909 1.00 49.01 ? ? ? ? ? ? 109 ASN B C 1 -ATOM 3649 O O . ASN F 3 109 ? 21.276 51.836 27.122 1.00 48.13 ? ? ? ? ? ? 109 ASN B O 1 -ATOM 3650 C CB . ASN F 3 109 ? 21.939 52.195 30.066 1.00 42.66 ? ? ? ? ? ? 109 ASN B CB 1 -ATOM 3651 C CG . ASN F 3 109 ? 22.599 53.558 30.019 1.00 45.82 ? ? ? ? ? ? 109 ASN B CG 1 -ATOM 3652 O OD1 . ASN F 3 109 ? 23.819 53.670 29.919 1.00 43.90 ? ? ? ? ? ? 109 ASN B OD1 1 -ATOM 3653 N ND2 . ASN F 3 109 ? 21.794 54.607 30.097 1.00 37.43 ? ? ? ? ? ? 109 ASN B ND2 1 -ATOM 3654 N N . PRO F 3 110 ? 20.122 53.735 27.503 1.00 44.84 ? ? ? ? ? ? 110 PRO B N 1 -ATOM 3655 C CA . PRO F 3 110 ? 20.150 54.196 26.114 1.00 44.29 ? ? ? ? ? ? 110 PRO B CA 1 -ATOM 3656 C C . PRO F 3 110 ? 21.492 54.798 25.689 1.00 43.42 ? ? ? ? ? ? 110 PRO B C 1 -ATOM 3657 O O . PRO F 3 110 ? 21.763 54.932 24.499 1.00 45.40 ? ? ? ? ? ? 110 PRO B O 1 -ATOM 3658 C CB . PRO F 3 110 ? 18.997 55.190 26.047 1.00 44.19 ? ? ? ? ? ? 110 PRO B CB 1 -ATOM 3659 C CG . PRO F 3 110 ? 18.143 54.789 27.174 1.00 44.57 ? ? ? ? ? ? 110 PRO B CG 1 -ATOM 3660 C CD . PRO F 3 110 ? 19.197 54.610 28.232 1.00 44.70 ? ? ? ? ? ? 110 PRO B CD 1 -ATOM 3661 N N . ASP F 3 111 ? 22.336 55.156 26.648 1.00 40.76 ? ? ? ? ? ? 111 ASP B N 1 -ATOM 3662 C CA . ASP F 3 111 ? 23.606 55.808 26.337 1.00 35.04 ? ? ? ? ? ? 111 ASP B CA 1 -ATOM 3663 C C . ASP F 3 111 ? 24.596 54.980 25.517 1.00 34.58 ? ? ? ? ? ? 111 ASP B C 1 -ATOM 3664 O O . ASP F 3 111 ? 25.265 55.548 24.647 1.00 35.88 ? ? ? ? ? ? 111 ASP B O 1 -ATOM 3665 C CB . ASP F 3 111 ? 24.286 56.232 27.622 1.00 31.26 ? ? ? ? ? ? 111 ASP B CB 1 -ATOM 3666 C CG . ASP F 3 111 ? 25.304 57.279 27.390 1.00 27.36 ? ? ? ? ? ? 111 ASP B CG 1 -ATOM 3667 O OD1 . ASP F 3 111 ? 24.898 58.459 27.399 1.00 30.57 ? ? ? ? ? ? 111 ASP B OD1 1 -ATOM 3668 O OD2 . ASP F 3 111 ? 26.490 56.929 27.196 1.00 34.17 ? ? ? ? ? ? 111 ASP B OD2 1 -ATOM 3669 N N . ILE F 3 112 ? 24.743 53.675 25.755 1.00 35.40 ? ? ? ? ? ? 112 ILE B N 1 -ATOM 3670 C CA . ILE F 3 112 ? 25.715 52.980 24.913 1.00 31.11 ? ? ? ? ? ? 112 ILE B CA 1 -ATOM 3671 C C . ILE F 3 112 ? 25.213 52.937 23.462 1.00 28.23 ? ? ? ? ? ? 112 ILE B C 1 -ATOM 3672 O O . ILE F 3 112 ? 25.987 53.187 22.570 1.00 21.24 ? ? ? ? ? ? 112 ILE B O 1 -ATOM 3673 C CB . ILE F 3 112 ? 26.015 51.495 25.352 1.00 18.78 ? ? ? ? ? ? 112 ILE B CB 1 -ATOM 3674 C CG1 . ILE F 3 112 ? 25.611 51.203 26.785 1.00 16.34 ? ? ? ? ? ? 112 ILE B CG1 1 -ATOM 3675 C CG2 . ILE F 3 112 ? 27.530 51.316 25.428 1.00 12.73 ? ? ? ? ? ? 112 ILE B CG2 1 -ATOM 3676 C CD1 . ILE F 3 112 ? 24.152 50.990 26.965 1.00 29.32 ? ? ? ? ? ? 112 ILE B CD1 1 -ATOM 3677 N N . LEU F 3 113 ? 23.945 52.670 23.196 1.00 21.42 ? ? ? ? ? ? 113 LEU B N 1 -ATOM 3678 C CA . LEU F 3 113 ? 23.496 52.700 21.790 1.00 35.44 ? ? ? ? ? ? 113 LEU B CA 1 -ATOM 3679 C C . LEU F 3 113 ? 23.784 54.058 21.087 1.00 39.01 ? ? ? ? ? ? 113 LEU B C 1 -ATOM 3680 O O . LEU F 3 113 ? 23.894 54.134 19.858 1.00 44.54 ? ? ? ? ? ? 113 LEU B O 1 -ATOM 3681 C CB . LEU F 3 113 ? 21.989 52.451 21.676 1.00 38.71 ? ? ? ? ? ? 113 LEU B CB 1 -ATOM 3682 C CG . LEU F 3 113 ? 21.427 52.726 20.270 1.00 37.54 ? ? ? ? ? ? 113 LEU B CG 1 -ATOM 3683 C CD1 . LEU F 3 113 ? 22.001 51.741 19.230 1.00 36.43 ? ? ? ? ? ? 113 LEU B CD1 1 -ATOM 3684 C CD2 . LEU F 3 113 ? 19.912 52.617 20.358 1.00 43.65 ? ? ? ? ? ? 113 LEU B CD2 1 -ATOM 3685 N N . MET F 3 114 ? 23.839 55.140 21.851 1.00 45.57 ? ? ? ? ? ? 114 MET B N 1 -ATOM 3686 C CA . MET F 3 114 ? 24.156 56.429 21.262 1.00 40.81 ? ? ? ? ? ? 114 MET B CA 1 -ATOM 3687 C C . MET F 3 114 ? 25.621 56.408 20.972 1.00 39.44 ? ? ? ? ? ? 114 MET B C 1 -ATOM 3688 O O . MET F 3 114 ? 26.039 56.667 19.842 1.00 46.20 ? ? ? ? ? ? 114 MET B O 1 -ATOM 3689 C CB . MET F 3 114 ? 23.905 57.598 22.209 1.00 32.30 ? ? ? ? ? ? 114 MET B CB 1 -ATOM 3690 C CG . MET F 3 114 ? 22.466 58.001 22.452 1.00 34.46 ? ? ? ? ? ? 114 MET B CG 1 -ATOM 3691 S SD . MET F 3 114 ? 21.836 59.359 21.419 1.00 38.84 ? ? ? ? ? ? 114 MET B SD 1 -ATOM 3692 C CE . MET F 3 114 ? 23.270 60.518 21.406 1.00 30.50 ? ? ? ? ? ? 114 MET B CE 1 -ATOM 3693 N N . ARG F 3 115 ? 26.409 56.083 21.996 1.00 33.43 ? ? ? ? ? ? 115 ARG B N 1 -ATOM 3694 C CA . ARG F 3 115 ? 27.864 56.080 21.820 1.00 35.32 ? ? ? ? ? ? 115 ARG B CA 1 -ATOM 3695 C C . ARG F 3 115 ? 28.296 55.268 20.603 1.00 31.00 ? ? ? ? ? ? 115 ARG B C 1 -ATOM 3696 O O . ARG F 3 115 ? 29.396 55.449 20.102 1.00 26.39 ? ? ? ? ? ? 115 ARG B O 1 -ATOM 3697 C CB . ARG F 3 115 ? 28.544 55.532 23.073 1.00 37.53 ? ? ? ? ? ? 115 ARG B CB 1 -ATOM 3698 C CG . ARG F 3 115 ? 28.287 56.438 24.238 1.00 34.45 ? ? ? ? ? ? 115 ARG B CG 1 -ATOM 3699 C CD . ARG F 3 115 ? 29.291 56.170 25.323 1.00 42.05 ? ? ? ? ? ? 115 ARG B CD 1 -ATOM 3700 N NE . ARG F 3 115 ? 29.150 57.092 26.448 1.00 39.24 ? ? ? ? ? ? 115 ARG B NE 1 -ATOM 3701 C CZ . ARG F 3 115 ? 30.170 57.471 27.199 1.00 37.47 ? ? ? ? ? ? 115 ARG B CZ 1 -ATOM 3702 N NH1 . ARG F 3 115 ? 31.383 57.002 26.929 1.00 44.91 ? ? ? ? ? ? 115 ARG B NH1 1 -ATOM 3703 N NH2 . ARG F 3 115 ? 29.984 58.311 28.205 1.00 39.68 ? ? ? ? ? ? 115 ARG B NH2 1 -ATOM 3704 N N . LEU F 3 116 ? 27.437 54.360 20.156 1.00 26.33 ? ? ? ? ? ? 116 LEU B N 1 -ATOM 3705 C CA . LEU F 3 116 ? 27.684 53.629 18.940 1.00 20.90 ? ? ? ? ? ? 116 LEU B CA 1 -ATOM 3706 C C . LEU F 3 116 ? 27.368 54.581 17.779 1.00 22.04 ? ? ? ? ? ? 116 LEU B C 1 -ATOM 3707 O O . LEU F 3 116 ? 28.260 55.045 17.061 1.00 12.77 ? ? ? ? ? ? 116 LEU B O 1 -ATOM 3708 C CB . LEU F 3 116 ? 26.770 52.418 18.855 1.00 24.96 ? ? ? ? ? ? 116 LEU B CB 1 -ATOM 3709 C CG . LEU F 3 116 ? 26.723 51.829 17.441 1.00 31.68 ? ? ? ? ? ? 116 LEU B CG 1 -ATOM 3710 C CD1 . LEU F 3 116 ? 27.954 50.994 17.288 1.00 33.91 ? ? ? ? ? ? 116 LEU B CD1 1 -ATOM 3711 C CD2 . LEU F 3 116 ? 25.448 51.011 17.197 1.00 28.00 ? ? ? ? ? ? 116 LEU B CD2 1 -ATOM 3712 N N . SER F 3 117 ? 26.078 54.882 17.631 1.00 6.00 ? ? ? ? ? ? 117 SER B N 1 -ATOM 3713 C CA . SER F 3 117 ? 25.613 55.751 16.564 1.00 9.49 ? ? ? ? ? ? 117 SER B CA 1 -ATOM 3714 C C . SER F 3 117 ? 26.467 57.004 16.351 1.00 8.50 ? ? ? ? ? ? 117 SER B C 1 -ATOM 3715 O O . SER F 3 117 ? 26.702 57.362 15.229 1.00 16.84 ? ? ? ? ? ? 117 SER B O 1 -ATOM 3716 C CB . SER F 3 117 ? 24.186 56.160 16.840 1.00 14.50 ? ? ? ? ? ? 117 SER B CB 1 -ATOM 3717 O OG . SER F 3 117 ? 23.439 54.978 17.029 1.00 27.72 ? ? ? ? ? ? 117 SER B OG 1 -ATOM 3718 N N . ALA F 3 118 ? 26.946 57.680 17.373 1.00 18.16 ? ? ? ? ? ? 118 ALA B N 1 -ATOM 3719 C CA . ALA F 3 118 ? 27.784 58.817 17.061 1.00 25.91 ? ? ? ? ? ? 118 ALA B CA 1 -ATOM 3720 C C . ALA F 3 118 ? 28.911 58.309 16.164 1.00 26.83 ? ? ? ? ? ? 118 ALA B C 1 -ATOM 3721 O O . ALA F 3 118 ? 29.224 58.853 15.083 1.00 17.64 ? ? ? ? ? ? 118 ALA B O 1 -ATOM 3722 C CB . ALA F 3 118 ? 28.364 59.392 18.321 1.00 24.51 ? ? ? ? ? ? 118 ALA B CB 1 -ATOM 3723 N N . GLN F 3 119 ? 29.495 57.208 16.625 1.00 31.09 ? ? ? ? ? ? 119 GLN B N 1 -ATOM 3724 C CA . GLN F 3 119 ? 30.617 56.579 15.943 1.00 32.55 ? ? ? ? ? ? 119 GLN B CA 1 -ATOM 3725 C C . GLN F 3 119 ? 30.248 56.338 14.439 1.00 31.63 ? ? ? ? ? ? 119 GLN B C 1 -ATOM 3726 O O . GLN F 3 119 ? 30.899 56.868 13.533 1.00 30.13 ? ? ? ? ? ? 119 GLN B O 1 -ATOM 3727 C CB . GLN F 3 119 ? 30.941 55.266 16.710 1.00 22.88 ? ? ? ? ? ? 119 GLN B CB 1 -ATOM 3728 C CG . GLN F 3 119 ? 32.426 54.920 16.958 1.00 29.70 ? ? ? ? ? ? 119 GLN B CG 1 -ATOM 3729 C CD . GLN F 3 119 ? 32.907 54.979 18.422 1.00 20.53 ? ? ? ? ? ? 119 GLN B CD 1 -ATOM 3730 O OE1 . GLN F 3 119 ? 34.106 54.935 18.692 1.00 28.26 ? ? ? ? ? ? 119 GLN B OE1 1 -ATOM 3731 N NE2 . GLN F 3 119 ? 31.989 55.071 19.352 1.00 29.92 ? ? ? ? ? ? 119 GLN B NE2 1 -ATOM 3732 N N . MET F 3 120 ? 29.182 55.597 14.161 1.00 25.81 ? ? ? ? ? ? 120 MET B N 1 -ATOM 3733 C CA . MET F 3 120 ? 28.810 55.369 12.771 1.00 24.00 ? ? ? ? ? ? 120 MET B CA 1 -ATOM 3734 C C . MET F 3 120 ? 28.535 56.670 12.010 1.00 22.19 ? ? ? ? ? ? 120 MET B C 1 -ATOM 3735 O O . MET F 3 120 ? 28.673 56.734 10.797 1.00 30.05 ? ? ? ? ? ? 120 MET B O 1 -ATOM 3736 C CB . MET F 3 120 ? 27.564 54.493 12.688 1.00 18.75 ? ? ? ? ? ? 120 MET B CB 1 -ATOM 3737 C CG . MET F 3 120 ? 27.719 53.140 13.321 1.00 14.42 ? ? ? ? ? ? 120 MET B CG 1 -ATOM 3738 S SD . MET F 3 120 ? 26.207 52.193 13.016 1.00 21.76 ? ? ? ? ? ? 120 MET B SD 1 -ATOM 3739 C CE . MET F 3 120 ? 25.128 53.111 14.061 1.00 18.57 ? ? ? ? ? ? 120 MET B CE 1 -ATOM 3740 N N . ALA F 3 121 ? 28.129 57.700 12.726 1.00 14.97 ? ? ? ? ? ? 121 ALA B N 1 -ATOM 3741 C CA . ALA F 3 121 ? 27.829 58.977 12.127 1.00 13.16 ? ? ? ? ? ? 121 ALA B CA 1 -ATOM 3742 C C . ALA F 3 121 ? 29.076 59.622 11.592 1.00 15.04 ? ? ? ? ? ? 121 ALA B C 1 -ATOM 3743 O O . ALA F 3 121 ? 29.053 60.120 10.470 1.00 25.68 ? ? ? ? ? ? 121 ALA B O 1 -ATOM 3744 C CB . ALA F 3 121 ? 27.195 59.893 13.140 1.00 30.92 ? ? ? ? ? ? 121 ALA B CB 1 -ATOM 3745 N N . ARG F 3 122 ? 30.176 59.625 12.319 1.00 6.00 ? ? ? ? ? ? 122 ARG B N 1 -ATOM 3746 C CA . ARG F 3 122 ? 31.260 60.284 11.666 1.00 12.43 ? ? ? ? ? ? 122 ARG B CA 1 -ATOM 3747 C C . ARG F 3 122 ? 31.847 59.419 10.595 1.00 21.97 ? ? ? ? ? ? 122 ARG B C 1 -ATOM 3748 O O . ARG F 3 122 ? 32.390 59.942 9.596 1.00 32.36 ? ? ? ? ? ? 122 ARG B O 1 -ATOM 3749 C CB . ARG F 3 122 ? 32.334 60.698 12.668 1.00 15.11 ? ? ? ? ? ? 122 ARG B CB 1 -ATOM 3750 C CG . ARG F 3 122 ? 31.812 61.893 13.549 1.00 32.79 ? ? ? ? ? ? 122 ARG B CG 1 -ATOM 3751 C CD . ARG F 3 122 ? 30.726 62.871 12.887 1.00 34.68 ? ? ? ? ? ? 122 ARG B CD 1 -ATOM 3752 N NE . ARG F 3 122 ? 31.056 63.570 11.623 1.00 40.65 ? ? ? ? ? ? 122 ARG B NE 1 -ATOM 3753 C CZ . ARG F 3 122 ? 30.204 64.329 10.910 1.00 35.47 ? ? ? ? ? ? 122 ARG B CZ 1 -ATOM 3754 N NH1 . ARG F 3 122 ? 28.954 64.524 11.289 1.00 35.14 ? ? ? ? ? ? 122 ARG B NH1 1 -ATOM 3755 N NH2 . ARG F 3 122 ? 30.587 64.922 9.795 1.00 36.21 ? ? ? ? ? ? 122 ARG B NH2 1 -ATOM 3756 N N . ARG F 3 123 ? 31.721 58.102 10.752 1.00 31.72 ? ? ? ? ? ? 123 ARG B N 1 -ATOM 3757 C CA . ARG F 3 123 ? 32.241 57.213 9.707 1.00 28.48 ? ? ? ? ? ? 123 ARG B CA 1 -ATOM 3758 C C . ARG F 3 123 ? 31.423 57.307 8.437 1.00 22.27 ? ? ? ? ? ? 123 ARG B C 1 -ATOM 3759 O O . ARG F 3 123 ? 31.967 57.063 7.392 1.00 18.23 ? ? ? ? ? ? 123 ARG B O 1 -ATOM 3760 C CB . ARG F 3 123 ? 32.245 55.759 10.162 1.00 22.47 ? ? ? ? ? ? 123 ARG B CB 1 -ATOM 3761 C CG . ARG F 3 123 ? 33.297 55.490 11.184 1.00 20.81 ? ? ? ? ? ? 123 ARG B CG 1 -ATOM 3762 C CD . ARG F 3 123 ? 32.973 54.200 11.837 1.00 20.58 ? ? ? ? ? ? 123 ARG B CD 1 -ATOM 3763 N NE . ARG F 3 123 ? 33.871 53.904 12.936 1.00 21.43 ? ? ? ? ? ? 123 ARG B NE 1 -ATOM 3764 C CZ . ARG F 3 123 ? 33.573 53.029 13.890 1.00 21.50 ? ? ? ? ? ? 123 ARG B CZ 1 -ATOM 3765 N NH1 . ARG F 3 123 ? 32.408 52.379 13.885 1.00 17.90 ? ? ? ? ? ? 123 ARG B NH1 1 -ATOM 3766 N NH2 . ARG F 3 123 ? 34.455 52.779 14.828 1.00 19.75 ? ? ? ? ? ? 123 ARG B NH2 1 -ATOM 3767 N N . LEU F 3 124 ? 30.137 57.636 8.492 1.00 12.68 ? ? ? ? ? ? 124 LEU B N 1 -ATOM 3768 C CA . LEU F 3 124 ? 29.429 57.745 7.231 1.00 9.16 ? ? ? ? ? ? 124 LEU B CA 1 -ATOM 3769 C C . LEU F 3 124 ? 29.859 59.048 6.586 1.00 14.29 ? ? ? ? ? ? 124 LEU B C 1 -ATOM 3770 O O . LEU F 3 124 ? 29.702 59.226 5.394 1.00 20.26 ? ? ? ? ? ? 124 LEU B O 1 -ATOM 3771 C CB . LEU F 3 124 ? 27.903 57.731 7.445 1.00 10.60 ? ? ? ? ? ? 124 LEU B CB 1 -ATOM 3772 C CG . LEU F 3 124 ? 26.979 57.641 6.209 1.00 20.56 ? ? ? ? ? ? 124 LEU B CG 1 -ATOM 3773 C CD1 . LEU F 3 124 ? 25.547 57.180 6.558 1.00 17.46 ? ? ? ? ? ? 124 LEU B CD1 1 -ATOM 3774 C CD2 . LEU F 3 124 ? 26.898 59.032 5.612 1.00 28.61 ? ? ? ? ? ? 124 LEU B CD2 1 -ATOM 3775 N N . GLN F 3 125 ? 30.432 59.970 7.360 1.00 18.57 ? ? ? ? ? ? 125 GLN B N 1 -ATOM 3776 C CA . GLN F 3 125 ? 30.872 61.227 6.759 1.00 20.30 ? ? ? ? ? ? 125 GLN B CA 1 -ATOM 3777 C C . GLN F 3 125 ? 32.277 61.071 6.209 1.00 16.47 ? ? ? ? ? ? 125 GLN B C 1 -ATOM 3778 O O . GLN F 3 125 ? 32.545 61.484 5.080 1.00 24.07 ? ? ? ? ? ? 125 GLN B O 1 -ATOM 3779 C CB . GLN F 3 125 ? 30.843 62.376 7.787 1.00 19.67 ? ? ? ? ? ? 125 GLN B CB 1 -ATOM 3780 C CG . GLN F 3 125 ? 30.854 63.805 7.135 1.00 37.57 ? ? ? ? ? ? 125 GLN B CG 1 -ATOM 3781 C CD . GLN F 3 125 ? 32.149 64.214 6.380 1.00 39.27 ? ? ? ? ? ? 125 GLN B CD 1 -ATOM 3782 O OE1 . GLN F 3 125 ? 32.143 64.407 5.158 1.00 49.89 ? ? ? ? ? ? 125 GLN B OE1 1 -ATOM 3783 N NE2 . GLN F 3 125 ? 33.246 64.361 7.114 1.00 35.42 ? ? ? ? ? ? 125 GLN B NE2 1 -ATOM 3784 N N . VAL F 3 126 ? 33.175 60.504 7.000 1.00 6.00 ? ? ? ? ? ? 126 VAL B N 1 -ATOM 3785 C CA . VAL F 3 126 ? 34.537 60.277 6.538 1.00 8.95 ? ? ? ? ? ? 126 VAL B CA 1 -ATOM 3786 C C . VAL F 3 126 ? 34.529 59.417 5.202 1.00 15.59 ? ? ? ? ? ? 126 VAL B C 1 -ATOM 3787 O O . VAL F 3 126 ? 35.297 59.712 4.276 1.00 20.00 ? ? ? ? ? ? 126 VAL B O 1 -ATOM 3788 C CB . VAL F 3 126 ? 35.380 59.550 7.721 1.00 8.30 ? ? ? ? ? ? 126 VAL B CB 1 -ATOM 3789 C CG1 . VAL F 3 126 ? 34.905 58.180 7.894 1.00 15.07 ? ? ? ? ? ? 126 VAL B CG1 1 -ATOM 3790 C CG2 . VAL F 3 126 ? 36.873 59.493 7.417 1.00 7.72 ? ? ? ? ? ? 126 VAL B CG2 1 -ATOM 3791 N N . THR F 3 127 ? 33.644 58.404 5.088 1.00 19.23 ? ? ? ? ? ? 127 THR B N 1 -ATOM 3792 C CA . THR F 3 127 ? 33.524 57.507 3.918 1.00 15.40 ? ? ? ? ? ? 127 THR B CA 1 -ATOM 3793 C C . THR F 3 127 ? 32.979 58.201 2.645 1.00 16.94 ? ? ? ? ? ? 127 THR B C 1 -ATOM 3794 O O . THR F 3 127 ? 33.559 58.063 1.576 1.00 19.91 ? ? ? ? ? ? 127 THR B O 1 -ATOM 3795 C CB . THR F 3 127 ? 32.610 56.314 4.253 1.00 24.38 ? ? ? ? ? ? 127 THR B CB 1 -ATOM 3796 O OG1 . THR F 3 127 ? 33.053 55.680 5.450 1.00 31.04 ? ? ? ? ? ? 127 THR B OG1 1 -ATOM 3797 C CG2 . THR F 3 127 ? 32.682 55.284 3.172 1.00 23.17 ? ? ? ? ? ? 127 THR B CG2 1 -ATOM 3798 N N . SER F 3 128 ? 31.845 58.894 2.750 1.00 10.80 ? ? ? ? ? ? 128 SER B N 1 -ATOM 3799 C CA . SER F 3 128 ? 31.315 59.674 1.655 1.00 7.58 ? ? ? ? ? ? 128 SER B CA 1 -ATOM 3800 C C . SER F 3 128 ? 32.423 60.618 1.070 1.00 12.15 ? ? ? ? ? ? 128 SER B C 1 -ATOM 3801 O O . SER F 3 128 ? 32.607 60.720 -0.158 1.00 8.04 ? ? ? ? ? ? 128 SER B O 1 -ATOM 3802 C CB . SER F 3 128 ? 30.150 60.476 2.167 1.00 7.96 ? ? ? ? ? ? 128 SER B CB 1 -ATOM 3803 O OG . SER F 3 128 ? 29.043 59.650 2.485 1.00 6.00 ? ? ? ? ? ? 128 SER B OG 1 -ATOM 3804 N N . GLU F 3 129 ? 33.206 61.266 1.927 1.00 11.45 ? ? ? ? ? ? 129 GLU B N 1 -ATOM 3805 C CA . GLU F 3 129 ? 34.292 62.120 1.433 1.00 11.66 ? ? ? ? ? ? 129 GLU B CA 1 -ATOM 3806 C C . GLU F 3 129 ? 35.148 61.257 0.502 1.00 11.95 ? ? ? ? ? ? 129 GLU B C 1 -ATOM 3807 O O . GLU F 3 129 ? 35.290 61.536 -0.678 1.00 24.96 ? ? ? ? ? ? 129 GLU B O 1 -ATOM 3808 C CB . GLU F 3 129 ? 35.167 62.635 2.591 1.00 6.00 ? ? ? ? ? ? 129 GLU B CB 1 -ATOM 3809 C CG . GLU F 3 129 ? 35.610 64.074 2.373 1.00 23.00 ? ? ? ? ? ? 129 GLU B CG 1 -ATOM 3810 C CD . GLU F 3 129 ? 36.908 64.446 3.091 1.00 20.21 ? ? ? ? ? ? 129 GLU B CD 1 -ATOM 3811 O OE1 . GLU F 3 129 ? 36.893 64.789 4.286 1.00 31.85 ? ? ? ? ? ? 129 GLU B OE1 1 -ATOM 3812 O OE2 . GLU F 3 129 ? 37.975 64.394 2.452 1.00 27.65 ? ? ? ? ? ? 129 GLU B OE2 1 -ATOM 3813 N N . LYS F 3 130 ? 35.689 60.177 1.048 1.00 16.14 ? ? ? ? ? ? 130 LYS B N 1 -ATOM 3814 C CA . LYS F 3 130 ? 36.500 59.203 0.321 1.00 14.93 ? ? ? ? ? ? 130 LYS B CA 1 -ATOM 3815 C C . LYS F 3 130 ? 35.835 58.836 -1.036 1.00 14.28 ? ? ? ? ? ? 130 LYS B C 1 -ATOM 3816 O O . LYS F 3 130 ? 36.557 58.632 -2.001 1.00 11.83 ? ? ? ? ? ? 130 LYS B O 1 -ATOM 3817 C CB . LYS F 3 130 ? 36.679 57.962 1.231 1.00 16.37 ? ? ? ? ? ? 130 LYS B CB 1 -ATOM 3818 C CG . LYS F 3 130 ? 37.362 56.738 0.607 1.00 19.85 ? ? ? ? ? ? 130 LYS B CG 1 -ATOM 3819 C CD . LYS F 3 130 ? 38.604 56.245 1.372 1.00 21.79 ? ? ? ? ? ? 130 LYS B CD 1 -ATOM 3820 C CE . LYS F 3 130 ? 39.044 54.827 0.869 1.00 21.85 ? ? ? ? ? ? 130 LYS B CE 1 -ATOM 3821 N NZ . LYS F 3 130 ? 40.374 54.326 1.362 1.00 21.02 ? ? ? ? ? ? 130 LYS B NZ 1 -ATOM 3822 N N . VAL F 3 131 ? 34.504 58.722 -1.147 1.00 6.00 ? ? ? ? ? ? 131 VAL B N 1 -ATOM 3823 C CA . VAL F 3 131 ? 33.939 58.472 -2.470 1.00 11.08 ? ? ? ? ? ? 131 VAL B CA 1 -ATOM 3824 C C . VAL F 3 131 ? 34.271 59.690 -3.361 1.00 10.79 ? ? ? ? ? ? 131 VAL B C 1 -ATOM 3825 O O . VAL F 3 131 ? 34.871 59.550 -4.417 1.00 20.71 ? ? ? ? ? ? 131 VAL B O 1 -ATOM 3826 C CB . VAL F 3 131 ? 32.384 58.300 -2.432 1.00 16.43 ? ? ? ? ? ? 131 VAL B CB 1 -ATOM 3827 C CG1 . VAL F 3 131 ? 31.804 58.196 -3.843 1.00 6.00 ? ? ? ? ? ? 131 VAL B CG1 1 -ATOM 3828 C CG2 . VAL F 3 131 ? 32.042 57.038 -1.676 1.00 22.52 ? ? ? ? ? ? 131 VAL B CG2 1 -ATOM 3829 N N . GLY F 3 132 ? 33.937 60.888 -2.902 1.00 12.82 ? ? ? ? ? ? 132 GLY B N 1 -ATOM 3830 C CA . GLY F 3 132 ? 34.188 62.114 -3.661 1.00 15.93 ? ? ? ? ? ? 132 GLY B CA 1 -ATOM 3831 C C . GLY F 3 132 ? 35.634 62.332 -4.073 1.00 17.35 ? ? ? ? ? ? 132 GLY B C 1 -ATOM 3832 O O . GLY F 3 132 ? 35.883 62.873 -5.145 1.00 25.45 ? ? ? ? ? ? 132 GLY B O 1 -ATOM 3833 N N . ASN F 3 133 ? 36.597 61.971 -3.240 1.00 6.00 ? ? ? ? ? ? 133 ASN B N 1 -ATOM 3834 C CA . ASN F 3 133 ? 37.972 62.101 -3.636 1.00 6.00 ? ? ? ? ? ? 133 ASN B CA 1 -ATOM 3835 C C . ASN F 3 133 ? 38.319 61.114 -4.754 1.00 10.86 ? ? ? ? ? ? 133 ASN B C 1 -ATOM 3836 O O . ASN F 3 133 ? 39.092 61.416 -5.648 1.00 26.23 ? ? ? ? ? ? 133 ASN B O 1 -ATOM 3837 C CB . ASN F 3 133 ? 38.888 61.825 -2.467 1.00 15.42 ? ? ? ? ? ? 133 ASN B CB 1 -ATOM 3838 C CG . ASN F 3 133 ? 38.730 62.820 -1.357 1.00 25.45 ? ? ? ? ? ? 133 ASN B CG 1 -ATOM 3839 O OD1 . ASN F 3 133 ? 37.754 63.590 -1.328 1.00 34.73 ? ? ? ? ? ? 133 ASN B OD1 1 -ATOM 3840 N ND2 . ASN F 3 133 ? 39.691 62.820 -0.424 1.00 20.65 ? ? ? ? ? ? 133 ASN B ND2 1 -ATOM 3841 N N . LEU F 3 134 ? 37.789 59.904 -4.678 1.00 14.24 ? ? ? ? ? ? 134 LEU B N 1 -ATOM 3842 C CA . LEU F 3 134 ? 38.072 58.891 -5.658 1.00 8.73 ? ? ? ? ? ? 134 LEU B CA 1 -ATOM 3843 C C . LEU F 3 134 ? 37.540 59.307 -6.984 1.00 15.86 ? ? ? ? ? ? 134 LEU B C 1 -ATOM 3844 O O . LEU F 3 134 ? 38.081 58.944 -8.014 1.00 17.35 ? ? ? ? ? ? 134 LEU B O 1 -ATOM 3845 C CB . LEU F 3 134 ? 37.429 57.578 -5.255 1.00 17.51 ? ? ? ? ? ? 134 LEU B CB 1 -ATOM 3846 C CG . LEU F 3 134 ? 38.083 56.840 -4.100 1.00 8.07 ? ? ? ? ? ? 134 LEU B CG 1 -ATOM 3847 C CD1 . LEU F 3 134 ? 37.243 55.649 -3.672 1.00 11.18 ? ? ? ? ? ? 134 LEU B CD1 1 -ATOM 3848 C CD2 . LEU F 3 134 ? 39.427 56.402 -4.546 1.00 12.76 ? ? ? ? ? ? 134 LEU B CD2 1 -ATOM 3849 N N . ALA F 3 135 ? 36.486 60.101 -6.965 1.00 6.03 ? ? ? ? ? ? 135 ALA B N 1 -ATOM 3850 C CA . ALA F 3 135 ? 35.852 60.491 -8.198 1.00 12.61 ? ? ? ? ? ? 135 ALA B CA 1 -ATOM 3851 C C . ALA F 3 135 ? 36.146 61.897 -8.755 1.00 14.83 ? ? ? ? ? ? 135 ALA B C 1 -ATOM 3852 O O . ALA F 3 135 ? 35.803 62.150 -9.922 1.00 11.33 ? ? ? ? ? ? 135 ALA B O 1 -ATOM 3853 C CB . ALA F 3 135 ? 34.377 60.337 -8.022 1.00 12.38 ? ? ? ? ? ? 135 ALA B CB 1 -ATOM 3854 N N . PHE F 3 136 ? 36.716 62.801 -7.957 1.00 11.80 ? ? ? ? ? ? 136 PHE B N 1 -ATOM 3855 C CA . PHE F 3 136 ? 36.961 64.184 -8.384 1.00 18.03 ? ? ? ? ? ? 136 PHE B CA 1 -ATOM 3856 C C . PHE F 3 136 ? 38.460 64.559 -8.507 1.00 20.12 ? ? ? ? ? ? 136 PHE B C 1 -ATOM 3857 O O . PHE F 3 136 ? 38.845 65.383 -9.340 1.00 26.36 ? ? ? ? ? ? 136 PHE B O 1 -ATOM 3858 C CB . PHE F 3 136 ? 36.297 65.172 -7.390 1.00 10.56 ? ? ? ? ? ? 136 PHE B CB 1 -ATOM 3859 C CG . PHE F 3 136 ? 34.769 65.186 -7.404 1.00 19.16 ? ? ? ? ? ? 136 PHE B CG 1 -ATOM 3860 C CD1 . PHE F 3 136 ? 34.038 64.808 -8.531 1.00 15.55 ? ? ? ? ? ? 136 PHE B CD1 1 -ATOM 3861 C CD2 . PHE F 3 136 ? 34.069 65.603 -6.278 1.00 8.01 ? ? ? ? ? ? 136 PHE B CD2 1 -ATOM 3862 C CE1 . PHE F 3 136 ? 32.633 64.847 -8.532 1.00 21.46 ? ? ? ? ? ? 136 PHE B CE1 1 -ATOM 3863 C CE2 . PHE F 3 136 ? 32.700 65.641 -6.278 1.00 16.09 ? ? ? ? ? ? 136 PHE B CE2 1 -ATOM 3864 C CZ . PHE F 3 136 ? 31.968 65.261 -7.416 1.00 15.36 ? ? ? ? ? ? 136 PHE B CZ 1 -ATOM 3865 N N . LEU F 3 137 ? 39.276 63.989 -7.634 1.00 12.22 ? ? ? ? ? ? 137 LEU B N 1 -ATOM 3866 C CA . LEU F 3 137 ? 40.702 64.241 -7.543 1.00 15.52 ? ? ? ? ? ? 137 LEU B CA 1 -ATOM 3867 C C . LEU F 3 137 ? 41.508 63.185 -8.305 1.00 18.41 ? ? ? ? ? ? 137 LEU B C 1 -ATOM 3868 O O . LEU F 3 137 ? 41.146 62.006 -8.312 1.00 23.05 ? ? ? ? ? ? 137 LEU B O 1 -ATOM 3869 C CB . LEU F 3 137 ? 41.104 64.244 -6.055 1.00 18.00 ? ? ? ? ? ? 137 LEU B CB 1 -ATOM 3870 C CG . LEU F 3 137 ? 40.643 65.305 -5.042 1.00 13.34 ? ? ? ? ? ? 137 LEU B CG 1 -ATOM 3871 C CD1 . LEU F 3 137 ? 39.145 65.354 -4.903 1.00 20.49 ? ? ? ? ? ? 137 LEU B CD1 1 -ATOM 3872 C CD2 . LEU F 3 137 ? 41.215 64.948 -3.727 1.00 16.84 ? ? ? ? ? ? 137 LEU B CD2 1 -ATOM 3873 N N . ASP F 3 138 ? 42.584 63.577 -8.970 1.00 22.68 ? ? ? ? ? ? 138 ASP B N 1 -ATOM 3874 C CA . ASP F 3 138 ? 43.387 62.577 -9.636 1.00 22.09 ? ? ? ? ? ? 138 ASP B CA 1 -ATOM 3875 C C . ASP F 3 138 ? 44.246 61.970 -8.544 1.00 25.28 ? ? ? ? ? ? 138 ASP B C 1 -ATOM 3876 O O . ASP F 3 138 ? 44.199 62.453 -7.414 1.00 36.18 ? ? ? ? ? ? 138 ASP B O 1 -ATOM 3877 C CB . ASP F 3 138 ? 44.219 63.250 -10.731 1.00 28.70 ? ? ? ? ? ? 138 ASP B CB 1 -ATOM 3878 C CG . ASP F 3 138 ? 45.076 64.429 -10.232 1.00 37.04 ? ? ? ? ? ? 138 ASP B CG 1 -ATOM 3879 O OD1 . ASP F 3 138 ? 45.119 64.716 -8.994 1.00 34.49 ? ? ? ? ? ? 138 ASP B OD1 1 -ATOM 3880 O OD2 . ASP F 3 138 ? 45.714 65.068 -11.122 1.00 29.88 ? ? ? ? ? ? 138 ASP B OD2 1 -ATOM 3881 N N . VAL F 3 139 ? 45.057 60.958 -8.811 1.00 24.71 ? ? ? ? ? ? 139 VAL B N 1 -ATOM 3882 C CA . VAL F 3 139 ? 45.800 60.372 -7.694 1.00 21.17 ? ? ? ? ? ? 139 VAL B CA 1 -ATOM 3883 C C . VAL F 3 139 ? 46.641 61.350 -6.907 1.00 19.93 ? ? ? ? ? ? 139 VAL B C 1 -ATOM 3884 O O . VAL F 3 139 ? 46.610 61.356 -5.677 1.00 24.54 ? ? ? ? ? ? 139 VAL B O 1 -ATOM 3885 C CB . VAL F 3 139 ? 46.744 59.261 -8.151 1.00 17.54 ? ? ? ? ? ? 139 VAL B CB 1 -ATOM 3886 C CG1 . VAL F 3 139 ? 47.612 59.765 -9.247 1.00 20.87 ? ? ? ? ? ? 139 VAL B CG1 1 -ATOM 3887 C CG2 . VAL F 3 139 ? 47.635 58.818 -6.997 1.00 21.72 ? ? ? ? ? ? 139 VAL B CG2 1 -ATOM 3888 N N . THR F 3 140 ? 47.378 62.182 -7.606 1.00 15.47 ? ? ? ? ? ? 140 THR B N 1 -ATOM 3889 C CA . THR F 3 140 ? 48.290 63.094 -6.948 1.00 23.09 ? ? ? ? ? ? 140 THR B CA 1 -ATOM 3890 C C . THR F 3 140 ? 47.601 63.827 -5.830 1.00 23.55 ? ? ? ? ? ? 140 THR B C 1 -ATOM 3891 O O . THR F 3 140 ? 48.171 64.024 -4.763 1.00 32.52 ? ? ? ? ? ? 140 THR B O 1 -ATOM 3892 C CB . THR F 3 140 ? 48.830 64.122 -7.930 1.00 36.35 ? ? ? ? ? ? 140 THR B CB 1 -ATOM 3893 O OG1 . THR F 3 140 ? 49.309 63.447 -9.099 1.00 49.26 ? ? ? ? ? ? 140 THR B OG1 1 -ATOM 3894 C CG2 . THR F 3 140 ? 49.975 64.901 -7.312 1.00 37.86 ? ? ? ? ? ? 140 THR B CG2 1 -ATOM 3895 N N . GLY F 3 141 ? 46.350 64.191 -6.075 1.00 28.77 ? ? ? ? ? ? 141 GLY B N 1 -ATOM 3896 C CA . GLY F 3 141 ? 45.581 64.957 -5.103 1.00 31.58 ? ? ? ? ? ? 141 GLY B CA 1 -ATOM 3897 C C . GLY F 3 141 ? 45.141 64.130 -3.924 1.00 31.19 ? ? ? ? ? ? 141 GLY B C 1 -ATOM 3898 O O . GLY F 3 141 ? 45.248 64.560 -2.763 1.00 37.76 ? ? ? ? ? ? 141 GLY B O 1 -ATOM 3899 N N . ARG F 3 142 ? 44.603 62.956 -4.223 1.00 31.85 ? ? ? ? ? ? 142 ARG B N 1 -ATOM 3900 C CA . ARG F 3 142 ? 44.211 62.081 -3.157 1.00 25.46 ? ? ? ? ? ? 142 ARG B CA 1 -ATOM 3901 C C . ARG F 3 142 ? 45.450 61.869 -2.261 1.00 25.68 ? ? ? ? ? ? 142 ARG B C 1 -ATOM 3902 O O . ARG F 3 142 ? 45.363 62.027 -1.069 1.00 27.72 ? ? ? ? ? ? 142 ARG B O 1 -ATOM 3903 C CB . ARG F 3 142 ? 43.722 60.763 -3.742 1.00 22.37 ? ? ? ? ? ? 142 ARG B CB 1 -ATOM 3904 C CG . ARG F 3 142 ? 42.500 60.883 -4.651 1.00 26.83 ? ? ? ? ? ? 142 ARG B CG 1 -ATOM 3905 C CD . ARG F 3 142 ? 41.977 59.512 -5.169 1.00 23.63 ? ? ? ? ? ? 142 ARG B CD 1 -ATOM 3906 N NE . ARG F 3 142 ? 42.940 58.803 -6.021 1.00 25.58 ? ? ? ? ? ? 142 ARG B NE 1 -ATOM 3907 C CZ . ARG F 3 142 ? 42.659 57.742 -6.776 1.00 26.34 ? ? ? ? ? ? 142 ARG B CZ 1 -ATOM 3908 N NH1 . ARG F 3 142 ? 41.441 57.241 -6.792 1.00 34.31 ? ? ? ? ? ? 142 ARG B NH1 1 -ATOM 3909 N NH2 . ARG F 3 142 ? 43.585 57.196 -7.543 1.00 19.41 ? ? ? ? ? ? 142 ARG B NH2 1 -ATOM 3910 N N . ILE F 3 143 ? 46.626 61.591 -2.804 1.00 26.20 ? ? ? ? ? ? 143 ILE B N 1 -ATOM 3911 C CA . ILE F 3 143 ? 47.767 61.371 -1.927 1.00 22.59 ? ? ? ? ? ? 143 ILE B CA 1 -ATOM 3912 C C . ILE F 3 143 ? 48.079 62.556 -1.008 1.00 26.27 ? ? ? ? ? ? 143 ILE B C 1 -ATOM 3913 O O . ILE F 3 143 ? 48.538 62.353 0.115 1.00 26.91 ? ? ? ? ? ? 143 ILE B O 1 -ATOM 3914 C CB . ILE F 3 143 ? 49.051 61.046 -2.743 1.00 22.51 ? ? ? ? ? ? 143 ILE B CB 1 -ATOM 3915 C CG1 . ILE F 3 143 ? 48.902 59.687 -3.421 1.00 15.96 ? ? ? ? ? ? 143 ILE B CG1 1 -ATOM 3916 C CG2 . ILE F 3 143 ? 50.274 60.991 -1.812 1.00 22.73 ? ? ? ? ? ? 143 ILE B CG2 1 -ATOM 3917 C CD1 . ILE F 3 143 ? 50.195 59.206 -4.005 1.00 22.99 ? ? ? ? ? ? 143 ILE B CD1 1 -ATOM 3918 N N . ALA F 3 144 ? 47.855 63.789 -1.445 1.00 26.86 ? ? ? ? ? ? 144 ALA B N 1 -ATOM 3919 C CA . ALA F 3 144 ? 48.167 64.906 -0.564 1.00 30.91 ? ? ? ? ? ? 144 ALA B CA 1 -ATOM 3920 C C . ALA F 3 144 ? 47.135 65.015 0.571 1.00 33.44 ? ? ? ? ? ? 144 ALA B C 1 -ATOM 3921 O O . ALA F 3 144 ? 47.458 65.510 1.658 1.00 31.27 ? ? ? ? ? ? 144 ALA B O 1 -ATOM 3922 C CB . ALA F 3 144 ? 48.207 66.195 -1.368 1.00 31.26 ? ? ? ? ? ? 144 ALA B CB 1 -ATOM 3923 N N . GLN F 3 145 ? 45.893 64.597 0.321 1.00 26.00 ? ? ? ? ? ? 145 GLN B N 1 -ATOM 3924 C CA . GLN F 3 145 ? 44.905 64.565 1.390 1.00 28.49 ? ? ? ? ? ? 145 GLN B CA 1 -ATOM 3925 C C . GLN F 3 145 ? 45.285 63.446 2.373 1.00 32.20 ? ? ? ? ? ? 145 GLN B C 1 -ATOM 3926 O O . GLN F 3 145 ? 45.200 63.601 3.600 1.00 35.21 ? ? ? ? ? ? 145 GLN B O 1 -ATOM 3927 C CB . GLN F 3 145 ? 43.509 64.298 0.828 1.00 33.11 ? ? ? ? ? ? 145 GLN B CB 1 -ATOM 3928 C CG . GLN F 3 145 ? 42.873 65.530 0.117 1.00 39.62 ? ? ? ? ? ? 145 GLN B CG 1 -ATOM 3929 C CD . GLN F 3 145 ? 41.639 66.075 0.844 1.00 39.15 ? ? ? ? ? ? 145 GLN B CD 1 -ATOM 3930 O OE1 . GLN F 3 145 ? 41.691 66.411 2.036 1.00 35.62 ? ? ? ? ? ? 145 GLN B OE1 1 -ATOM 3931 N NE2 . GLN F 3 145 ? 40.515 66.150 0.123 1.00 48.64 ? ? ? ? ? ? 145 GLN B NE2 1 -ATOM 3932 N N . THR F 3 146 ? 45.706 62.307 1.838 1.00 31.18 ? ? ? ? ? ? 146 THR B N 1 -ATOM 3933 C CA . THR F 3 146 ? 46.137 61.186 2.663 1.00 25.08 ? ? ? ? ? ? 146 THR B CA 1 -ATOM 3934 C C . THR F 3 146 ? 47.327 61.604 3.537 1.00 24.65 ? ? ? ? ? ? 146 THR B C 1 -ATOM 3935 O O . THR F 3 146 ? 47.277 61.392 4.750 1.00 22.06 ? ? ? ? ? ? 146 THR B O 1 -ATOM 3936 C CB . THR F 3 146 ? 46.500 60.021 1.735 1.00 16.96 ? ? ? ? ? ? 146 THR B CB 1 -ATOM 3937 O OG1 . THR F 3 146 ? 45.279 59.522 1.188 1.00 14.17 ? ? ? ? ? ? 146 THR B OG1 1 -ATOM 3938 C CG2 . THR F 3 146 ? 47.273 58.931 2.452 1.00 24.20 ? ? ? ? ? ? 146 THR B CG2 1 -ATOM 3939 N N . LEU F 3 147 ? 48.358 62.221 2.936 1.00 21.29 ? ? ? ? ? ? 147 LEU B N 1 -ATOM 3940 C CA . LEU F 3 147 ? 49.525 62.693 3.678 1.00 23.74 ? ? ? ? ? ? 147 LEU B CA 1 -ATOM 3941 C C . LEU F 3 147 ? 49.137 63.771 4.687 1.00 26.49 ? ? ? ? ? ? 147 LEU B C 1 -ATOM 3942 O O . LEU F 3 147 ? 49.794 63.955 5.719 1.00 32.72 ? ? ? ? ? ? 147 LEU B O 1 -ATOM 3943 C CB . LEU F 3 147 ? 50.582 63.227 2.706 1.00 30.23 ? ? ? ? ? ? 147 LEU B CB 1 -ATOM 3944 C CG . LEU F 3 147 ? 51.070 62.103 1.774 1.00 32.85 ? ? ? ? ? ? 147 LEU B CG 1 -ATOM 3945 C CD1 . LEU F 3 147 ? 52.528 62.339 1.401 1.00 25.47 ? ? ? ? ? ? 147 LEU B CD1 1 -ATOM 3946 C CD2 . LEU F 3 147 ? 50.994 60.760 2.493 1.00 31.35 ? ? ? ? ? ? 147 LEU B CD2 1 -ATOM 3947 N N . LEU F 3 148 ? 48.045 64.580 4.591 1.00 30.37 ? ? ? ? ? ? 148 LEU B N 1 -ATOM 3948 C CA . LEU F 3 148 ? 47.562 65.608 5.485 1.00 33.47 ? ? ? ? ? ? 148 LEU B CA 1 -ATOM 3949 C C . LEU F 3 148 ? 46.823 64.850 6.610 1.00 30.49 ? ? ? ? ? ? 148 LEU B C 1 -ATOM 3950 O O . LEU F 3 148 ? 47.376 64.706 7.697 1.00 29.91 ? ? ? ? ? ? 148 LEU B O 1 -ATOM 3951 C CB . LEU F 3 148 ? 46.619 66.555 4.722 1.00 35.58 ? ? ? ? ? ? 148 LEU B CB 1 -ATOM 3952 C CG . LEU F 3 148 ? 47.059 68.031 4.696 1.00 43.84 ? ? ? ? ? ? 148 LEU B CG 1 -ATOM 3953 C CD1 . LEU F 3 148 ? 48.463 68.129 4.098 1.00 43.67 ? ? ? ? ? ? 148 LEU B CD1 1 -ATOM 3954 C CD2 . LEU F 3 148 ? 46.048 68.862 3.895 1.00 37.67 ? ? ? ? ? ? 148 LEU B CD2 1 -ATOM 3955 N N . ASN F 3 149 ? 45.649 64.280 6.298 1.00 29.34 ? ? ? ? ? ? 149 ASN B N 1 -ATOM 3956 C CA . ASN F 3 149 ? 44.803 63.477 7.202 1.00 30.43 ? ? ? ? ? ? 149 ASN B CA 1 -ATOM 3957 C C . ASN F 3 149 ? 45.559 62.391 7.989 1.00 36.59 ? ? ? ? ? ? 149 ASN B C 1 -ATOM 3958 O O . ASN F 3 149 ? 45.274 62.183 9.182 1.00 44.05 ? ? ? ? ? ? 149 ASN B O 1 -ATOM 3959 C CB . ASN F 3 149 ? 43.657 62.803 6.404 1.00 43.77 ? ? ? ? ? ? 149 ASN B CB 1 -ATOM 3960 C CG . ASN F 3 149 ? 42.532 63.796 5.972 1.00 50.50 ? ? ? ? ? ? 149 ASN B CG 1 -ATOM 3961 O OD1 . ASN F 3 149 ? 41.773 64.313 6.807 1.00 54.81 ? ? ? ? ? ? 149 ASN B OD1 1 -ATOM 3962 N ND2 . ASN F 3 149 ? 42.420 64.045 4.665 1.00 44.07 ? ? ? ? ? ? 149 ASN B ND2 1 -ATOM 3963 N N . LEU F 3 150 ? 46.500 61.686 7.368 1.00 28.20 ? ? ? ? ? ? 150 LEU B N 1 -ATOM 3964 C CA . LEU F 3 150 ? 47.252 60.701 8.124 1.00 29.00 ? ? ? ? ? ? 150 LEU B CA 1 -ATOM 3965 C C . LEU F 3 150 ? 48.101 61.383 9.160 1.00 30.94 ? ? ? ? ? ? 150 LEU B C 1 -ATOM 3966 O O . LEU F 3 150 ? 48.020 61.119 10.362 1.00 33.30 ? ? ? ? ? ? 150 LEU B O 1 -ATOM 3967 C CB . LEU F 3 150 ? 48.197 59.900 7.237 1.00 30.48 ? ? ? ? ? ? 150 LEU B CB 1 -ATOM 3968 C CG . LEU F 3 150 ? 47.712 58.822 6.268 1.00 32.55 ? ? ? ? ? ? 150 LEU B CG 1 -ATOM 3969 C CD1 . LEU F 3 150 ? 48.860 58.436 5.328 1.00 25.04 ? ? ? ? ? ? 150 LEU B CD1 1 -ATOM 3970 C CD2 . LEU F 3 150 ? 47.206 57.619 7.068 1.00 33.40 ? ? ? ? ? ? 150 LEU B CD2 1 -ATOM 3971 N N . ALA F 3 151 ? 48.945 62.260 8.640 1.00 35.89 ? ? ? ? ? ? 151 ALA B N 1 -ATOM 3972 C CA . ALA F 3 151 ? 49.911 62.994 9.425 1.00 38.49 ? ? ? ? ? ? 151 ALA B CA 1 -ATOM 3973 C C . ALA F 3 151 ? 49.263 63.982 10.393 1.00 38.55 ? ? ? ? ? ? 151 ALA B C 1 -ATOM 3974 O O . ALA F 3 151 ? 49.517 65.171 10.334 1.00 35.91 ? ? ? ? ? ? 151 ALA B O 1 -ATOM 3975 C CB . ALA F 3 151 ? 50.849 63.716 8.469 1.00 37.11 ? ? ? ? ? ? 151 ALA B CB 1 -ATOM 3976 N N . LYS F 3 152 ? 48.456 63.474 11.311 1.00 39.55 ? ? ? ? ? ? 152 LYS B N 1 -ATOM 3977 C CA . LYS F 3 152 ? 47.762 64.290 12.310 1.00 39.82 ? ? ? ? ? ? 152 LYS B CA 1 -ATOM 3978 C C . LYS F 3 152 ? 47.097 63.343 13.328 1.00 45.40 ? ? ? ? ? ? 152 LYS B C 1 -ATOM 3979 O O . LYS F 3 152 ? 47.347 63.475 14.534 1.00 50.61 ? ? ? ? ? ? 152 LYS B O 1 -ATOM 3980 C CB . LYS F 3 152 ? 46.696 65.171 11.637 1.00 44.12 ? ? ? ? ? ? 152 LYS B CB 1 -ATOM 3981 C CG . LYS F 3 152 ? 45.904 66.075 12.594 1.00 48.42 ? ? ? ? ? ? 152 LYS B CG 1 -ATOM 3982 C CD . LYS F 3 152 ? 44.689 66.680 11.891 1.00 51.82 ? ? ? ? ? ? 152 LYS B CD 1 -ATOM 3983 C CE . LYS F 3 152 ? 43.669 67.278 12.877 1.00 52.07 ? ? ? ? ? ? 152 LYS B CE 1 -ATOM 3984 N NZ . LYS F 3 152 ? 44.139 68.422 13.702 1.00 40.63 ? ? ? ? ? ? 152 LYS B NZ 1 -ATOM 3985 N N . GLN F 3 153 ? 46.273 62.400 12.850 1.00 45.18 ? ? ? ? ? ? 153 GLN B N 1 -ATOM 3986 C CA . GLN F 3 153 ? 45.621 61.377 13.690 1.00 44.36 ? ? ? ? ? ? 153 GLN B CA 1 -ATOM 3987 C C . GLN F 3 153 ? 46.688 60.682 14.582 1.00 46.16 ? ? ? ? ? ? 153 GLN B C 1 -ATOM 3988 O O . GLN F 3 153 ? 47.806 60.444 14.116 1.00 51.06 ? ? ? ? ? ? 153 GLN B O 1 -ATOM 3989 C CB . GLN F 3 153 ? 44.957 60.339 12.782 1.00 45.12 ? ? ? ? ? ? 153 GLN B CB 1 -ATOM 3990 C CG . GLN F 3 153 ? 44.263 59.139 13.463 1.00 44.46 ? ? ? ? ? ? 153 GLN B CG 1 -ATOM 3991 C CD . GLN F 3 153 ? 43.840 58.040 12.459 1.00 42.69 ? ? ? ? ? ? 153 GLN B CD 1 -ATOM 3992 O OE1 . GLN F 3 153 ? 44.689 57.485 11.756 1.00 36.97 ? ? ? ? ? ? 153 GLN B OE1 1 -ATOM 3993 N NE2 . GLN F 3 153 ? 42.536 57.732 12.394 1.00 37.00 ? ? ? ? ? ? 153 GLN B NE2 1 -ATOM 3994 N N . PRO F 3 154 ? 46.375 60.349 15.856 1.00 44.48 ? ? ? ? ? ? 154 PRO B N 1 -ATOM 3995 C CA . PRO F 3 154 ? 47.330 59.796 16.833 1.00 45.29 ? ? ? ? ? ? 154 PRO B CA 1 -ATOM 3996 C C . PRO F 3 154 ? 48.086 58.512 16.433 1.00 48.40 ? ? ? ? ? ? 154 PRO B C 1 -ATOM 3997 O O . PRO F 3 154 ? 47.643 57.383 16.624 1.00 51.99 ? ? ? ? ? ? 154 PRO B O 1 -ATOM 3998 C CB . PRO F 3 154 ? 46.486 59.655 18.092 1.00 50.13 ? ? ? ? ? ? 154 PRO B CB 1 -ATOM 3999 C CG . PRO F 3 154 ? 45.624 60.875 18.000 1.00 55.00 ? ? ? ? ? ? 154 PRO B CG 1 -ATOM 4000 C CD . PRO F 3 154 ? 45.092 60.628 16.568 1.00 47.81 ? ? ? ? ? ? 154 PRO B CD 1 -ATOM 4001 N N . ASP F 3 155 ? 49.271 58.836 15.919 1.00 47.86 ? ? ? ? ? ? 155 ASP B N 1 -ATOM 4002 C CA . ASP F 3 155 ? 50.307 57.924 15.422 1.00 48.66 ? ? ? ? ? ? 155 ASP B CA 1 -ATOM 4003 C C . ASP F 3 155 ? 51.511 58.767 15.104 1.00 49.94 ? ? ? ? ? ? 155 ASP B C 1 -ATOM 4004 O O . ASP F 3 155 ? 52.688 58.380 15.158 1.00 45.02 ? ? ? ? ? ? 155 ASP B O 1 -ATOM 4005 C CB . ASP F 3 155 ? 49.861 57.155 14.123 1.00 55.00 ? ? ? ? ? ? 155 ASP B CB 1 -ATOM 4006 C CG . ASP F 3 155 ? 50.571 57.591 12.799 1.00 54.97 ? ? ? ? ? ? 155 ASP B CG 1 -ATOM 4007 O OD1 . ASP F 3 155 ? 51.786 57.298 12.542 1.00 44.54 ? ? ? ? ? ? 155 ASP B OD1 1 -ATOM 4008 O OD2 . ASP F 3 155 ? 49.881 58.230 11.960 1.00 44.54 ? ? ? ? ? ? 155 ASP B OD2 1 -ATOM 4009 N N . ALA F 3 156 ? 51.065 59.955 14.702 1.00 54.47 ? ? ? ? ? ? 156 ALA B N 1 -ATOM 4010 C CA . ALA F 3 156 ? 51.808 61.123 14.319 1.00 55.00 ? ? ? ? ? ? 156 ALA B CA 1 -ATOM 4011 C C . ALA F 3 156 ? 52.422 61.689 15.583 1.00 55.00 ? ? ? ? ? ? 156 ALA B C 1 -ATOM 4012 O O . ALA F 3 156 ? 51.773 61.763 16.654 1.00 53.46 ? ? ? ? ? ? 156 ALA B O 1 -ATOM 4013 C CB . ALA F 3 156 ? 50.866 62.140 13.676 1.00 51.25 ? ? ? ? ? ? 156 ALA B CB 1 -ATOM 4014 N N . MET F 3 157 ? 53.699 62.030 15.458 1.00 55.00 ? ? ? ? ? ? 157 MET B N 1 -ATOM 4015 C CA . MET F 3 157 ? 54.425 62.628 16.543 1.00 55.00 ? ? ? ? ? ? 157 MET B CA 1 -ATOM 4016 C C . MET F 3 157 ? 55.127 63.893 16.017 1.00 55.00 ? ? ? ? ? ? 157 MET B C 1 -ATOM 4017 O O . MET F 3 157 ? 55.805 63.932 14.963 1.00 48.49 ? ? ? ? ? ? 157 MET B O 1 -ATOM 4018 C CB . MET F 3 157 ? 55.408 61.583 17.129 1.00 53.29 ? ? ? ? ? ? 157 MET B CB 1 -ATOM 4019 C CG . MET F 3 157 ? 56.129 60.751 16.143 1.00 48.98 ? ? ? ? ? ? 157 MET B CG 1 -ATOM 4020 S SD . MET F 3 157 ? 57.179 61.862 15.329 1.00 51.78 ? ? ? ? ? ? 157 MET B SD 1 -ATOM 4021 C CE . MET F 3 157 ? 58.818 61.278 16.015 1.00 52.50 ? ? ? ? ? ? 157 MET B CE 1 -ATOM 4022 N N . THR F 3 158 ? 54.837 64.933 16.804 1.00 55.00 ? ? ? ? ? ? 158 THR B N 1 -ATOM 4023 C CA . THR F 3 158 ? 55.202 66.330 16.660 1.00 53.39 ? ? ? ? ? ? 158 THR B CA 1 -ATOM 4024 C C . THR F 3 158 ? 56.591 66.580 16.122 1.00 48.24 ? ? ? ? ? ? 158 THR B C 1 -ATOM 4025 O O . THR F 3 158 ? 57.573 66.618 16.859 1.00 49.13 ? ? ? ? ? ? 158 THR B O 1 -ATOM 4026 C CB . THR F 3 158 ? 55.025 67.036 18.043 1.00 50.88 ? ? ? ? ? ? 158 THR B CB 1 -ATOM 4027 O OG1 . THR F 3 158 ? 55.915 66.474 19.026 1.00 55.00 ? ? ? ? ? ? 158 THR B OG1 1 -ATOM 4028 C CG2 . THR F 3 158 ? 53.585 66.830 18.536 1.00 53.52 ? ? ? ? ? ? 158 THR B CG2 1 -ATOM 4029 N N . HIS F 3 159 ? 56.673 66.718 14.810 1.00 44.88 ? ? ? ? ? ? 159 HIS B N 1 -ATOM 4030 C CA . HIS F 3 159 ? 57.934 67.045 14.200 1.00 43.77 ? ? ? ? ? ? 159 HIS B CA 1 -ATOM 4031 C C . HIS F 3 159 ? 58.139 68.524 14.441 1.00 46.40 ? ? ? ? ? ? 159 HIS B C 1 -ATOM 4032 O O . HIS F 3 159 ? 57.165 69.284 14.555 1.00 40.91 ? ? ? ? ? ? 159 HIS B O 1 -ATOM 4033 C CB . HIS F 3 159 ? 57.866 66.743 12.726 1.00 46.27 ? ? ? ? ? ? 159 HIS B CB 1 -ATOM 4034 C CG . HIS F 3 159 ? 59.066 67.176 11.945 1.00 55.00 ? ? ? ? ? ? 159 HIS B CG 1 -ATOM 4035 N ND1 . HIS F 3 159 ? 59.009 68.169 10.989 1.00 53.65 ? ? ? ? ? ? 159 HIS B ND1 1 -ATOM 4036 C CD2 . HIS F 3 159 ? 60.344 66.723 11.944 1.00 55.00 ? ? ? ? ? ? 159 HIS B CD2 1 -ATOM 4037 C CE1 . HIS F 3 159 ? 60.197 68.309 10.429 1.00 54.98 ? ? ? ? ? ? 159 HIS B CE1 1 -ATOM 4038 N NE2 . HIS F 3 159 ? 61.025 67.444 10.990 1.00 55.00 ? ? ? ? ? ? 159 HIS B NE2 1 -ATOM 4039 N N . PRO F 3 160 ? 59.399 68.952 14.550 1.00 44.57 ? ? ? ? ? ? 160 PRO B N 1 -ATOM 4040 C CA . PRO F 3 160 ? 59.632 70.383 14.673 1.00 46.27 ? ? ? ? ? ? 160 PRO B CA 1 -ATOM 4041 C C . PRO F 3 160 ? 58.796 71.180 13.693 1.00 47.62 ? ? ? ? ? ? 160 PRO B C 1 -ATOM 4042 O O . PRO F 3 160 ? 57.881 71.903 14.096 1.00 42.67 ? ? ? ? ? ? 160 PRO B O 1 -ATOM 4043 C CB . PRO F 3 160 ? 61.154 70.500 14.484 1.00 49.93 ? ? ? ? ? ? 160 PRO B CB 1 -ATOM 4044 C CG . PRO F 3 160 ? 61.561 69.150 13.850 1.00 44.48 ? ? ? ? ? ? 160 PRO B CG 1 -ATOM 4045 C CD . PRO F 3 160 ? 60.694 68.242 14.655 1.00 45.18 ? ? ? ? ? ? 160 PRO B CD 1 -ATOM 4046 N N . ASP F 3 161 ? 59.066 70.972 12.411 1.00 47.88 ? ? ? ? ? ? 161 ASP B N 1 -ATOM 4047 C CA . ASP F 3 161 ? 58.380 71.698 11.349 1.00 51.76 ? ? ? ? ? ? 161 ASP B CA 1 -ATOM 4048 C C . ASP F 3 161 ? 57.628 70.797 10.384 1.00 48.81 ? ? ? ? ? ? 161 ASP B C 1 -ATOM 4049 O O . ASP F 3 161 ? 58.151 70.392 9.354 1.00 50.04 ? ? ? ? ? ? 161 ASP B O 1 -ATOM 4050 C CB . ASP F 3 161 ? 59.406 72.557 10.585 1.00 53.23 ? ? ? ? ? ? 161 ASP B CB 1 -ATOM 4051 C CG . ASP F 3 161 ? 60.731 71.835 10.313 1.00 54.50 ? ? ? ? ? ? 161 ASP B CG 1 -ATOM 4052 O OD1 . ASP F 3 161 ? 61.110 70.922 11.084 1.00 55.00 ? ? ? ? ? ? 161 ASP B OD1 1 -ATOM 4053 O OD2 . ASP F 3 161 ? 61.413 72.204 9.327 1.00 46.76 ? ? ? ? ? ? 161 ASP B OD2 1 -ATOM 4054 N N . GLY F 3 162 ? 56.383 70.510 10.753 1.00 51.92 ? ? ? ? ? ? 162 GLY B N 1 -ATOM 4055 C CA . GLY F 3 162 ? 55.512 69.638 9.978 1.00 55.00 ? ? ? ? ? ? 162 GLY B CA 1 -ATOM 4056 C C . GLY F 3 162 ? 55.595 68.232 10.546 1.00 53.21 ? ? ? ? ? ? 162 GLY B C 1 -ATOM 4057 O O . GLY F 3 162 ? 56.650 67.598 10.457 1.00 54.57 ? ? ? ? ? ? 162 GLY B O 1 -ATOM 4058 N N . MET F 3 163 ? 54.503 67.717 11.099 1.00 49.86 ? ? ? ? ? ? 163 MET B N 1 -ATOM 4059 C CA . MET F 3 163 ? 54.551 66.403 11.744 1.00 52.68 ? ? ? ? ? ? 163 MET B CA 1 -ATOM 4060 C C . MET F 3 163 ? 55.250 65.317 10.867 1.00 47.70 ? ? ? ? ? ? 163 MET B C 1 -ATOM 4061 O O . MET F 3 163 ? 55.523 65.524 9.678 1.00 48.63 ? ? ? ? ? ? 163 MET B O 1 -ATOM 4062 C CB . MET F 3 163 ? 53.094 66.005 12.107 1.00 55.00 ? ? ? ? ? ? 163 MET B CB 1 -ATOM 4063 C CG . MET F 3 163 ? 52.847 65.613 13.614 1.00 55.00 ? ? ? ? ? ? 163 MET B CG 1 -ATOM 4064 S SD . MET F 3 163 ? 51.658 66.625 14.644 1.00 55.00 ? ? ? ? ? ? 163 MET B SD 1 -ATOM 4065 C CE . MET F 3 163 ? 50.143 65.568 14.809 1.00 46.43 ? ? ? ? ? ? 163 MET B CE 1 -ATOM 4066 N N . GLN F 3 164 ? 55.587 64.186 11.483 1.00 45.05 ? ? ? ? ? ? 164 GLN B N 1 -ATOM 4067 C CA . GLN F 3 164 ? 56.250 63.059 10.807 1.00 43.95 ? ? ? ? ? ? 164 GLN B CA 1 -ATOM 4068 C C . GLN F 3 164 ? 55.277 61.874 10.714 1.00 38.80 ? ? ? ? ? ? 164 GLN B C 1 -ATOM 4069 O O . GLN F 3 164 ? 54.162 61.981 11.192 1.00 38.75 ? ? ? ? ? ? 164 GLN B O 1 -ATOM 4070 C CB . GLN F 3 164 ? 57.496 62.639 11.615 1.00 48.68 ? ? ? ? ? ? 164 GLN B CB 1 -ATOM 4071 C CG . GLN F 3 164 ? 58.425 61.637 10.902 1.00 53.71 ? ? ? ? ? ? 164 GLN B CG 1 -ATOM 4072 C CD . GLN F 3 164 ? 59.448 60.940 11.809 1.00 55.00 ? ? ? ? ? ? 164 GLN B CD 1 -ATOM 4073 O OE1 . GLN F 3 164 ? 59.585 59.718 11.753 1.00 55.00 ? ? ? ? ? ? 164 GLN B OE1 1 -ATOM 4074 N NE2 . GLN F 3 164 ? 60.168 61.701 12.630 1.00 54.88 ? ? ? ? ? ? 164 GLN B NE2 1 -ATOM 4075 N N . ILE F 3 165 ? 55.668 60.766 10.087 1.00 39.47 ? ? ? ? ? ? 165 ILE B N 1 -ATOM 4076 C CA . ILE F 3 165 ? 54.848 59.541 10.067 1.00 38.70 ? ? ? ? ? ? 165 ILE B CA 1 -ATOM 4077 C C . ILE F 3 165 ? 55.505 58.363 9.356 1.00 42.11 ? ? ? ? ? ? 165 ILE B C 1 -ATOM 4078 O O . ILE F 3 165 ? 56.317 58.519 8.432 1.00 40.68 ? ? ? ? ? ? 165 ILE B O 1 -ATOM 4079 C CB . ILE F 3 165 ? 53.459 59.695 9.359 1.00 37.04 ? ? ? ? ? ? 165 ILE B CB 1 -ATOM 4080 C CG1 . ILE F 3 165 ? 53.525 60.791 8.302 1.00 38.07 ? ? ? ? ? ? 165 ILE B CG1 1 -ATOM 4081 C CG2 . ILE F 3 165 ? 52.397 59.929 10.390 1.00 31.08 ? ? ? ? ? ? 165 ILE B CG2 1 -ATOM 4082 C CD1 . ILE F 3 165 ? 52.279 60.817 7.436 1.00 33.42 ? ? ? ? ? ? 165 ILE B CD1 1 -ATOM 4083 N N . LYS F 3 166 ? 55.144 57.160 9.798 1.00 43.75 ? ? ? ? ? ? 166 LYS B N 1 -ATOM 4084 C CA . LYS F 3 166 ? 55.686 55.965 9.170 1.00 47.50 ? ? ? ? ? ? 166 LYS B CA 1 -ATOM 4085 C C . LYS F 3 166 ? 54.650 55.228 8.317 1.00 44.84 ? ? ? ? ? ? 166 LYS B C 1 -ATOM 4086 O O . LYS F 3 166 ? 53.716 54.611 8.843 1.00 50.95 ? ? ? ? ? ? 166 LYS B O 1 -ATOM 4087 C CB . LYS F 3 166 ? 56.245 55.005 10.245 1.00 47.59 ? ? ? ? ? ? 166 LYS B CB 1 -ATOM 4088 C CG . LYS F 3 166 ? 57.686 55.344 10.697 1.00 49.51 ? ? ? ? ? ? 166 LYS B CG 1 -ATOM 4089 C CD . LYS F 3 166 ? 58.351 54.263 11.567 1.00 46.92 ? ? ? ? ? ? 166 LYS B CD 1 -ATOM 4090 C CE . LYS F 3 166 ? 59.844 54.562 11.843 1.00 45.09 ? ? ? ? ? ? 166 LYS B CE 1 -ATOM 4091 N NZ . LYS F 3 166 ? 60.114 55.861 12.545 1.00 42.81 ? ? ? ? ? ? 166 LYS B NZ 1 -ATOM 4092 N N . ILE F 3 167 ? 54.787 55.324 6.996 1.00 42.84 ? ? ? ? ? ? 167 ILE B N 1 -ATOM 4093 C CA . ILE F 3 167 ? 53.883 54.597 6.088 1.00 37.44 ? ? ? ? ? ? 167 ILE B CA 1 -ATOM 4094 C C . ILE F 3 167 ? 54.693 54.168 4.864 1.00 33.72 ? ? ? ? ? ? 167 ILE B C 1 -ATOM 4095 O O . ILE F 3 167 ? 55.668 54.814 4.513 1.00 28.89 ? ? ? ? ? ? 167 ILE B O 1 -ATOM 4096 C CB . ILE F 3 167 ? 52.654 55.497 5.634 1.00 28.54 ? ? ? ? ? ? 167 ILE B CB 1 -ATOM 4097 C CG1 . ILE F 3 167 ? 51.650 54.670 4.830 1.00 16.11 ? ? ? ? ? ? 167 ILE B CG1 1 -ATOM 4098 C CG2 . ILE F 3 167 ? 53.118 56.624 4.818 1.00 23.25 ? ? ? ? ? ? 167 ILE B CG2 1 -ATOM 4099 C CD1 . ILE F 3 167 ? 50.659 53.871 5.696 1.00 18.41 ? ? ? ? ? ? 167 ILE B CD1 1 -ATOM 4100 N N . THR F 3 168 ? 54.336 53.032 4.283 1.00 30.38 ? ? ? ? ? ? 168 THR B N 1 -ATOM 4101 C CA . THR F 3 168 ? 55.007 52.518 3.096 1.00 29.20 ? ? ? ? ? ? 168 THR B CA 1 -ATOM 4102 C C . THR F 3 168 ? 54.283 53.040 1.879 1.00 28.14 ? ? ? ? ? ? 168 THR B C 1 -ATOM 4103 O O . THR F 3 168 ? 53.057 53.222 1.946 1.00 29.74 ? ? ? ? ? ? 168 THR B O 1 -ATOM 4104 C CB . THR F 3 168 ? 54.975 50.942 3.031 1.00 34.90 ? ? ? ? ? ? 168 THR B CB 1 -ATOM 4105 O OG1 . THR F 3 168 ? 53.696 50.484 3.520 1.00 38.08 ? ? ? ? ? ? 168 THR B OG1 1 -ATOM 4106 C CG2 . THR F 3 168 ? 56.127 50.314 3.840 1.00 31.41 ? ? ? ? ? ? 168 THR B CG2 1 -ATOM 4107 N N . ARG F 3 169 ? 54.996 53.268 0.773 1.00 18.87 ? ? ? ? ? ? 169 ARG B N 1 -ATOM 4108 C CA . ARG F 3 169 ? 54.295 53.668 -0.445 1.00 15.33 ? ? ? ? ? ? 169 ARG B CA 1 -ATOM 4109 C C . ARG F 3 169 ? 53.244 52.570 -0.811 1.00 17.77 ? ? ? ? ? ? 169 ARG B C 1 -ATOM 4110 O O . ARG F 3 169 ? 52.151 52.828 -1.386 1.00 16.18 ? ? ? ? ? ? 169 ARG B O 1 -ATOM 4111 C CB . ARG F 3 169 ? 55.295 53.852 -1.577 1.00 16.77 ? ? ? ? ? ? 169 ARG B CB 1 -ATOM 4112 C CG . ARG F 3 169 ? 56.111 55.106 -1.384 1.00 29.63 ? ? ? ? ? ? 169 ARG B CG 1 -ATOM 4113 C CD . ARG F 3 169 ? 57.513 54.870 -0.805 1.00 36.28 ? ? ? ? ? ? 169 ARG B CD 1 -ATOM 4114 N NE . ARG F 3 169 ? 58.067 56.128 -0.303 1.00 41.15 ? ? ? ? ? ? 169 ARG B NE 1 -ATOM 4115 C CZ . ARG F 3 169 ? 59.200 56.238 0.379 1.00 44.31 ? ? ? ? ? ? 169 ARG B CZ 1 -ATOM 4116 N NH1 . ARG F 3 169 ? 59.920 55.159 0.635 1.00 44.60 ? ? ? ? ? ? 169 ARG B NH1 1 -ATOM 4117 N NH2 . ARG F 3 169 ? 59.588 57.419 0.850 1.00 43.74 ? ? ? ? ? ? 169 ARG B NH2 1 -ATOM 4118 N N . GLN F 3 170 ? 53.574 51.340 -0.424 1.00 12.48 ? ? ? ? ? ? 170 GLN B N 1 -ATOM 4119 C CA . GLN F 3 170 ? 52.676 50.217 -0.597 1.00 13.36 ? ? ? ? ? ? 170 GLN B CA 1 -ATOM 4120 C C . GLN F 3 170 ? 51.343 50.597 0.016 1.00 16.41 ? ? ? ? ? ? 170 GLN B C 1 -ATOM 4121 O O . GLN F 3 170 ? 50.290 50.573 -0.660 1.00 29.23 ? ? ? ? ? ? 170 GLN B O 1 -ATOM 4122 C CB . GLN F 3 170 ? 53.182 48.947 0.139 1.00 35.91 ? ? ? ? ? ? 170 GLN B CB 1 -ATOM 4123 C CG . GLN F 3 170 ? 54.393 48.133 -0.400 1.00 43.72 ? ? ? ? ? ? 170 GLN B CG 1 -ATOM 4124 C CD . GLN F 3 170 ? 54.011 47.032 -1.403 1.00 48.20 ? ? ? ? ? ? 170 GLN B CD 1 -ATOM 4125 O OE1 . GLN F 3 170 ? 52.829 46.673 -1.560 1.00 46.41 ? ? ? ? ? ? 170 GLN B OE1 1 -ATOM 4126 N NE2 . GLN F 3 170 ? 55.022 46.490 -2.083 1.00 40.12 ? ? ? ? ? ? 170 GLN B NE2 1 -ATOM 4127 N N . GLU F 3 171 ? 51.400 50.979 1.297 1.00 8.46 ? ? ? ? ? ? 171 GLU B N 1 -ATOM 4128 C CA . GLU F 3 171 ? 50.146 51.217 2.005 1.00 15.86 ? ? ? ? ? ? 171 GLU B CA 1 -ATOM 4129 C C . GLU F 3 171 ? 49.494 52.503 1.589 1.00 13.80 ? ? ? ? ? ? 171 GLU B C 1 -ATOM 4130 O O . GLU F 3 171 ? 48.265 52.550 1.483 1.00 13.97 ? ? ? ? ? ? 171 GLU B O 1 -ATOM 4131 C CB . GLU F 3 171 ? 50.369 51.183 3.557 1.00 25.85 ? ? ? ? ? ? 171 GLU B CB 1 -ATOM 4132 C CG . GLU F 3 171 ? 49.887 49.804 4.204 1.00 28.28 ? ? ? ? ? ? 171 GLU B CG 1 -ATOM 4133 C CD . GLU F 3 171 ? 49.919 49.711 5.761 1.00 32.91 ? ? ? ? ? ? 171 GLU B CD 1 -ATOM 4134 O OE1 . GLU F 3 171 ? 51.027 49.557 6.313 1.00 29.09 ? ? ? ? ? ? 171 GLU B OE1 1 -ATOM 4135 O OE2 . GLU F 3 171 ? 48.854 49.779 6.431 1.00 23.53 ? ? ? ? ? ? 171 GLU B OE2 1 -ATOM 4136 N N . ILE F 3 172 ? 50.261 53.551 1.341 1.00 12.08 ? ? ? ? ? ? 172 ILE B N 1 -ATOM 4137 C CA . ILE F 3 172 ? 49.581 54.722 0.807 1.00 20.67 ? ? ? ? ? ? 172 ILE B CA 1 -ATOM 4138 C C . ILE F 3 172 ? 48.809 54.228 -0.436 1.00 19.31 ? ? ? ? ? ? 172 ILE B C 1 -ATOM 4139 O O . ILE F 3 172 ? 47.630 54.596 -0.614 1.00 15.43 ? ? ? ? ? ? 172 ILE B O 1 -ATOM 4140 C CB . ILE F 3 172 ? 50.589 55.817 0.411 1.00 12.92 ? ? ? ? ? ? 172 ILE B CB 1 -ATOM 4141 C CG1 . ILE F 3 172 ? 51.058 56.553 1.663 1.00 6.00 ? ? ? ? ? ? 172 ILE B CG1 1 -ATOM 4142 C CG2 . ILE F 3 172 ? 49.940 56.812 -0.497 1.00 6.00 ? ? ? ? ? ? 172 ILE B CG2 1 -ATOM 4143 C CD1 . ILE F 3 172 ? 52.449 57.085 1.423 1.00 8.92 ? ? ? ? ? ? 172 ILE B CD1 1 -ATOM 4144 N N . GLY F 3 173 ? 49.462 53.344 -1.213 1.00 11.07 ? ? ? ? ? ? 173 GLY B N 1 -ATOM 4145 C CA . GLY F 3 173 ? 48.878 52.730 -2.393 1.00 9.77 ? ? ? ? ? ? 173 GLY B CA 1 -ATOM 4146 C C . GLY F 3 173 ? 47.495 52.089 -2.152 1.00 12.47 ? ? ? ? ? ? 173 GLY B C 1 -ATOM 4147 O O . GLY F 3 173 ? 46.672 52.043 -3.081 1.00 21.44 ? ? ? ? ? ? 173 GLY B O 1 -ATOM 4148 N N . GLN F 3 174 ? 47.186 51.591 -0.954 1.00 8.06 ? ? ? ? ? ? 174 GLN B N 1 -ATOM 4149 C CA . GLN F 3 174 ? 45.877 50.963 -0.764 1.00 6.47 ? ? ? ? ? ? 174 GLN B CA 1 -ATOM 4150 C C . GLN F 3 174 ? 44.845 51.812 -0.097 1.00 9.09 ? ? ? ? ? ? 174 GLN B C 1 -ATOM 4151 O O . GLN F 3 174 ? 43.764 51.343 0.153 1.00 20.74 ? ? ? ? ? ? 174 GLN B O 1 -ATOM 4152 C CB . GLN F 3 174 ? 46.039 49.695 0.018 1.00 25.19 ? ? ? ? ? ? 174 GLN B CB 1 -ATOM 4153 C CG . GLN F 3 174 ? 46.862 48.735 -0.771 1.00 35.90 ? ? ? ? ? ? 174 GLN B CG 1 -ATOM 4154 C CD . GLN F 3 174 ? 47.447 47.651 0.075 1.00 39.18 ? ? ? ? ? ? 174 GLN B CD 1 -ATOM 4155 O OE1 . GLN F 3 174 ? 47.793 47.877 1.241 1.00 42.67 ? ? ? ? ? ? 174 GLN B OE1 1 -ATOM 4156 N NE2 . GLN F 3 174 ? 47.576 46.461 -0.501 1.00 39.84 ? ? ? ? ? ? 174 GLN B NE2 1 -ATOM 4157 N N . ILE F 3 175 ? 45.187 53.061 0.190 1.00 22.90 ? ? ? ? ? ? 175 ILE B N 1 -ATOM 4158 C CA . ILE F 3 175 ? 44.270 54.054 0.761 1.00 23.85 ? ? ? ? ? ? 175 ILE B CA 1 -ATOM 4159 C C . ILE F 3 175 ? 43.796 54.894 -0.417 1.00 18.76 ? ? ? ? ? ? 175 ILE B C 1 -ATOM 4160 O O . ILE F 3 175 ? 42.598 55.052 -0.649 1.00 21.28 ? ? ? ? ? ? 175 ILE B O 1 -ATOM 4161 C CB . ILE F 3 175 ? 44.998 54.997 1.823 1.00 25.26 ? ? ? ? ? ? 175 ILE B CB 1 -ATOM 4162 C CG1 . ILE F 3 175 ? 45.595 54.171 2.949 1.00 19.72 ? ? ? ? ? ? 175 ILE B CG1 1 -ATOM 4163 C CG2 . ILE F 3 175 ? 43.989 55.933 2.494 1.00 18.98 ? ? ? ? ? ? 175 ILE B CG2 1 -ATOM 4164 C CD1 . ILE F 3 175 ? 46.489 54.943 3.821 1.00 22.33 ? ? ? ? ? ? 175 ILE B CD1 1 -ATOM 4165 N N . VAL F 3 176 ? 44.777 55.441 -1.133 1.00 9.21 ? ? ? ? ? ? 176 VAL B N 1 -ATOM 4166 C CA . VAL F 3 176 ? 44.559 56.259 -2.310 1.00 12.86 ? ? ? ? ? ? 176 VAL B CA 1 -ATOM 4167 C C . VAL F 3 176 ? 44.077 55.399 -3.489 1.00 18.75 ? ? ? ? ? ? 176 VAL B C 1 -ATOM 4168 O O . VAL F 3 176 ? 43.288 55.872 -4.328 1.00 28.75 ? ? ? ? ? ? 176 VAL B O 1 -ATOM 4169 C CB . VAL F 3 176 ? 45.888 57.017 -2.672 1.00 26.09 ? ? ? ? ? ? 176 VAL B CB 1 -ATOM 4170 C CG1 . VAL F 3 176 ? 45.826 57.599 -4.060 1.00 33.40 ? ? ? ? ? ? 176 VAL B CG1 1 -ATOM 4171 C CG2 . VAL F 3 176 ? 46.070 58.211 -1.734 1.00 28.55 ? ? ? ? ? ? 176 VAL B CG2 1 -ATOM 4172 N N . GLY F 3 177 ? 44.532 54.150 -3.573 1.00 21.80 ? ? ? ? ? ? 177 GLY B N 1 -ATOM 4173 C CA . GLY F 3 177 ? 44.062 53.269 -4.640 1.00 20.39 ? ? ? ? ? ? 177 GLY B CA 1 -ATOM 4174 C C . GLY F 3 177 ? 44.802 53.414 -5.959 1.00 24.52 ? ? ? ? ? ? 177 GLY B C 1 -ATOM 4175 O O . GLY F 3 177 ? 44.238 53.710 -7.033 1.00 28.43 ? ? ? ? ? ? 177 GLY B O 1 -ATOM 4176 N N . CYS F 3 178 ? 46.100 53.196 -5.876 1.00 17.13 ? ? ? ? ? ? 178 CYS B N 1 -ATOM 4177 C CA . CYS F 3 178 ? 46.941 53.247 -7.025 1.00 21.82 ? ? ? ? ? ? 178 CYS B CA 1 -ATOM 4178 C C . CYS F 3 178 ? 48.079 52.322 -6.611 1.00 25.70 ? ? ? ? ? ? 178 CYS B C 1 -ATOM 4179 O O . CYS F 3 178 ? 47.865 51.536 -5.692 1.00 31.95 ? ? ? ? ? ? 178 CYS B O 1 -ATOM 4180 C CB . CYS F 3 178 ? 47.374 54.700 -7.257 1.00 20.48 ? ? ? ? ? ? 178 CYS B CB 1 -ATOM 4181 S SG . CYS F 3 178 ? 48.599 55.276 -6.141 1.00 16.84 ? ? ? ? ? ? 178 CYS B SG 1 -ATOM 4182 N N . SER F 3 179 ? 49.274 52.375 -7.183 1.00 31.13 ? ? ? ? ? ? 179 SER B N 1 -ATOM 4183 C CA . SER F 3 179 ? 50.249 51.371 -6.769 1.00 30.74 ? ? ? ? ? ? 179 SER B CA 1 -ATOM 4184 C C . SER F 3 179 ? 51.648 51.912 -6.408 1.00 31.06 ? ? ? ? ? ? 179 SER B C 1 -ATOM 4185 O O . SER F 3 179 ? 52.104 52.909 -6.958 1.00 33.30 ? ? ? ? ? ? 179 SER B O 1 -ATOM 4186 C CB . SER F 3 179 ? 50.335 50.352 -7.888 1.00 21.67 ? ? ? ? ? ? 179 SER B CB 1 -ATOM 4187 O OG . SER F 3 179 ? 50.587 51.073 -9.080 1.00 22.31 ? ? ? ? ? ? 179 SER B OG 1 -ATOM 4188 N N . ARG F 3 180 ? 52.311 51.200 -5.485 1.00 21.65 ? ? ? ? ? ? 180 ARG B N 1 -ATOM 4189 C CA . ARG F 3 180 ? 53.624 51.517 -4.925 1.00 18.58 ? ? ? ? ? ? 180 ARG B CA 1 -ATOM 4190 C C . ARG F 3 180 ? 54.494 52.367 -5.803 1.00 19.51 ? ? ? ? ? ? 180 ARG B C 1 -ATOM 4191 O O . ARG F 3 180 ? 55.089 53.320 -5.305 1.00 26.75 ? ? ? ? ? ? 180 ARG B O 1 -ATOM 4192 C CB . ARG F 3 180 ? 54.391 50.229 -4.595 1.00 25.48 ? ? ? ? ? ? 180 ARG B CB 1 -ATOM 4193 C CG . ARG F 3 180 ? 55.896 50.358 -4.189 1.00 25.36 ? ? ? ? ? ? 180 ARG B CG 1 -ATOM 4194 C CD . ARG F 3 180 ? 56.785 49.704 -5.263 1.00 28.95 ? ? ? ? ? ? 180 ARG B CD 1 -ATOM 4195 N NE . ARG F 3 180 ? 56.224 48.398 -5.644 1.00 31.11 ? ? ? ? ? ? 180 ARG B NE 1 -ATOM 4196 C CZ . ARG F 3 180 ? 56.695 47.602 -6.603 1.00 36.39 ? ? ? ? ? ? 180 ARG B CZ 1 -ATOM 4197 N NH1 . ARG F 3 180 ? 57.763 47.956 -7.321 1.00 34.17 ? ? ? ? ? ? 180 ARG B NH1 1 -ATOM 4198 N NH2 . ARG F 3 180 ? 56.097 46.437 -6.831 1.00 26.47 ? ? ? ? ? ? 180 ARG B NH2 1 -ATOM 4199 N N . GLU F 3 181 ? 54.588 52.048 -7.091 1.00 27.47 ? ? ? ? ? ? 181 GLU B N 1 -ATOM 4200 C CA . GLU F 3 181 ? 55.482 52.837 -7.896 1.00 30.69 ? ? ? ? ? ? 181 GLU B CA 1 -ATOM 4201 C C . GLU F 3 181 ? 54.861 54.168 -8.350 1.00 33.28 ? ? ? ? ? ? 181 GLU B C 1 -ATOM 4202 O O . GLU F 3 181 ? 55.584 55.175 -8.400 1.00 36.38 ? ? ? ? ? ? 181 GLU B O 1 -ATOM 4203 C CB . GLU F 3 181 ? 55.959 51.984 -9.092 1.00 33.00 ? ? ? ? ? ? 181 GLU B CB 1 -ATOM 4204 C CG . GLU F 3 181 ? 54.976 51.468 -10.089 1.00 37.12 ? ? ? ? ? ? 181 GLU B CG 1 -ATOM 4205 C CD . GLU F 3 181 ? 54.299 50.183 -9.675 1.00 41.40 ? ? ? ? ? ? 181 GLU B CD 1 -ATOM 4206 O OE1 . GLU F 3 181 ? 54.664 49.109 -10.213 1.00 44.20 ? ? ? ? ? ? 181 GLU B OE1 1 -ATOM 4207 O OE2 . GLU F 3 181 ? 53.381 50.262 -8.835 1.00 40.74 ? ? ? ? ? ? 181 GLU B OE2 1 -ATOM 4208 N N . THR F 3 182 ? 53.557 54.207 -8.658 1.00 30.41 ? ? ? ? ? ? 182 THR B N 1 -ATOM 4209 C CA . THR F 3 182 ? 52.921 55.478 -9.041 1.00 32.58 ? ? ? ? ? ? 182 THR B CA 1 -ATOM 4210 C C . THR F 3 182 ? 52.899 56.320 -7.775 1.00 34.76 ? ? ? ? ? ? 182 THR B C 1 -ATOM 4211 O O . THR F 3 182 ? 53.149 57.522 -7.789 1.00 33.62 ? ? ? ? ? ? 182 THR B O 1 -ATOM 4212 C CB . THR F 3 182 ? 51.432 55.359 -9.514 1.00 32.86 ? ? ? ? ? ? 182 THR B CB 1 -ATOM 4213 O OG1 . THR F 3 182 ? 51.059 53.995 -9.756 1.00 35.48 ? ? ? ? ? ? 182 THR B OG1 1 -ATOM 4214 C CG2 . THR F 3 182 ? 51.263 56.138 -10.807 1.00 35.28 ? ? ? ? ? ? 182 THR B CG2 1 -ATOM 4215 N N . VAL F 3 183 ? 52.569 55.666 -6.669 1.00 41.32 ? ? ? ? ? ? 183 VAL B N 1 -ATOM 4216 C CA . VAL F 3 183 ? 52.654 56.328 -5.382 1.00 43.36 ? ? ? ? ? ? 183 VAL B CA 1 -ATOM 4217 C C . VAL F 3 183 ? 54.082 56.882 -5.294 1.00 39.20 ? ? ? ? ? ? 183 VAL B C 1 -ATOM 4218 O O . VAL F 3 183 ? 54.313 57.985 -4.802 1.00 41.26 ? ? ? ? ? ? 183 VAL B O 1 -ATOM 4219 C CB . VAL F 3 183 ? 52.445 55.343 -4.219 1.00 43.44 ? ? ? ? ? ? 183 VAL B CB 1 -ATOM 4220 C CG1 . VAL F 3 183 ? 52.669 56.085 -2.891 1.00 41.92 ? ? ? ? ? ? 183 VAL B CG1 1 -ATOM 4221 C CG2 . VAL F 3 183 ? 51.043 54.732 -4.303 1.00 33.99 ? ? ? ? ? ? 183 VAL B CG2 1 -ATOM 4222 N N . GLY F 3 184 ? 55.011 56.073 -5.800 1.00 27.28 ? ? ? ? ? ? 184 GLY B N 1 -ATOM 4223 C CA . GLY F 3 184 ? 56.416 56.413 -5.845 1.00 25.50 ? ? ? ? ? ? 184 GLY B CA 1 -ATOM 4224 C C . GLY F 3 184 ? 56.670 57.720 -6.566 1.00 31.25 ? ? ? ? ? ? 184 GLY B C 1 -ATOM 4225 O O . GLY F 3 184 ? 56.583 58.783 -5.962 1.00 34.83 ? ? ? ? ? ? 184 GLY B O 1 -ATOM 4226 N N . ARG F 3 185 ? 56.953 57.667 -7.858 1.00 34.77 ? ? ? ? ? ? 185 ARG B N 1 -ATOM 4227 C CA . ARG F 3 185 ? 57.264 58.879 -8.613 1.00 36.70 ? ? ? ? ? ? 185 ARG B CA 1 -ATOM 4228 C C . ARG F 3 185 ? 56.417 60.106 -8.243 1.00 35.62 ? ? ? ? ? ? 185 ARG B C 1 -ATOM 4229 O O . ARG F 3 185 ? 56.922 61.227 -8.269 1.00 34.08 ? ? ? ? ? ? 185 ARG B O 1 -ATOM 4230 C CB . ARG F 3 185 ? 57.136 58.558 -10.107 1.00 36.55 ? ? ? ? ? ? 185 ARG B CB 1 -ATOM 4231 C CG . ARG F 3 185 ? 55.874 57.841 -10.518 1.00 35.00 ? ? ? ? ? ? 185 ARG B CG 1 -ATOM 4232 C CD . ARG F 3 185 ? 56.056 57.178 -11.868 1.00 39.34 ? ? ? ? ? ? 185 ARG B CD 1 -ATOM 4233 N NE . ARG F 3 185 ? 54.815 56.566 -12.324 1.00 40.91 ? ? ? ? ? ? 185 ARG B NE 1 -ATOM 4234 C CZ . ARG F 3 185 ? 54.744 55.464 -13.065 1.00 37.15 ? ? ? ? ? ? 185 ARG B CZ 1 -ATOM 4235 N NH1 . ARG F 3 185 ? 55.856 54.831 -13.444 1.00 32.13 ? ? ? ? ? ? 185 ARG B NH1 1 -ATOM 4236 N NH2 . ARG F 3 185 ? 53.546 55.006 -13.425 1.00 29.06 ? ? ? ? ? ? 185 ARG B NH2 1 -ATOM 4237 N N . ILE F 3 186 ? 55.159 59.922 -7.867 1.00 38.86 ? ? ? ? ? ? 186 ILE B N 1 -ATOM 4238 C CA . ILE F 3 186 ? 54.361 61.075 -7.451 1.00 40.99 ? ? ? ? ? ? 186 ILE B CA 1 -ATOM 4239 C C . ILE F 3 186 ? 54.889 61.692 -6.119 1.00 41.95 ? ? ? ? ? ? 186 ILE B C 1 -ATOM 4240 O O . ILE F 3 186 ? 55.185 62.886 -6.071 1.00 42.20 ? ? ? ? ? ? 186 ILE B O 1 -ATOM 4241 C CB . ILE F 3 186 ? 52.847 60.682 -7.244 1.00 47.45 ? ? ? ? ? ? 186 ILE B CB 1 -ATOM 4242 C CG1 . ILE F 3 186 ? 52.233 60.168 -8.561 1.00 40.40 ? ? ? ? ? ? 186 ILE B CG1 1 -ATOM 4243 C CG2 . ILE F 3 186 ? 52.073 61.903 -6.740 1.00 49.60 ? ? ? ? ? ? 186 ILE B CG2 1 -ATOM 4244 C CD1 . ILE F 3 186 ? 52.207 61.141 -9.731 1.00 47.64 ? ? ? ? ? ? 186 ILE B CD1 1 -ATOM 4245 N N . LEU F 3 187 ? 55.038 60.882 -5.065 1.00 38.26 ? ? ? ? ? ? 187 LEU B N 1 -ATOM 4246 C CA . LEU F 3 187 ? 55.463 61.351 -3.730 1.00 37.04 ? ? ? ? ? ? 187 LEU B CA 1 -ATOM 4247 C C . LEU F 3 187 ? 56.674 62.264 -3.852 1.00 36.26 ? ? ? ? ? ? 187 LEU B C 1 -ATOM 4248 O O . LEU F 3 187 ? 56.738 63.355 -3.270 1.00 32.95 ? ? ? ? ? ? 187 LEU B O 1 -ATOM 4249 C CB . LEU F 3 187 ? 55.833 60.151 -2.819 1.00 31.61 ? ? ? ? ? ? 187 LEU B CB 1 -ATOM 4250 C CG . LEU F 3 187 ? 56.004 60.245 -1.292 1.00 24.23 ? ? ? ? ? ? 187 LEU B CG 1 -ATOM 4251 C CD1 . LEU F 3 187 ? 54.754 59.812 -0.610 1.00 18.62 ? ? ? ? ? ? 187 LEU B CD1 1 -ATOM 4252 C CD2 . LEU F 3 187 ? 57.038 59.274 -0.814 1.00 29.55 ? ? ? ? ? ? 187 LEU B CD2 1 -ATOM 4253 N N . LYS F 3 188 ? 57.635 61.779 -4.625 1.00 35.43 ? ? ? ? ? ? 188 LYS B N 1 -ATOM 4254 C CA . LYS F 3 188 ? 58.869 62.496 -4.868 1.00 41.66 ? ? ? ? ? ? 188 LYS B CA 1 -ATOM 4255 C C . LYS F 3 188 ? 58.475 63.858 -5.447 1.00 40.97 ? ? ? ? ? ? 188 LYS B C 1 -ATOM 4256 O O . LYS F 3 188 ? 58.894 64.879 -4.910 1.00 37.09 ? ? ? ? ? ? 188 LYS B O 1 -ATOM 4257 C CB . LYS F 3 188 ? 59.744 61.702 -5.867 1.00 43.86 ? ? ? ? ? ? 188 LYS B CB 1 -ATOM 4258 C CG . LYS F 3 188 ? 61.249 62.046 -5.919 1.00 40.33 ? ? ? ? ? ? 188 LYS B CG 1 -ATOM 4259 C CD . LYS F 3 188 ? 62.052 61.308 -4.862 1.00 37.47 ? ? ? ? ? ? 188 LYS B CD 1 -ATOM 4260 C CE . LYS F 3 188 ? 61.807 59.787 -4.998 1.00 47.66 ? ? ? ? ? ? 188 LYS B CE 1 -ATOM 4261 N NZ . LYS F 3 188 ? 61.869 59.230 -6.412 1.00 36.95 ? ? ? ? ? ? 188 LYS B NZ 1 -ATOM 4262 N N . MET F 3 189 ? 57.638 63.877 -6.492 1.00 40.16 ? ? ? ? ? ? 189 MET B N 1 -ATOM 4263 C CA . MET F 3 189 ? 57.172 65.124 -7.106 1.00 38.35 ? ? ? ? ? ? 189 MET B CA 1 -ATOM 4264 C C . MET F 3 189 ? 56.513 66.071 -6.091 1.00 39.66 ? ? ? ? ? ? 189 MET B C 1 -ATOM 4265 O O . MET F 3 189 ? 55.956 67.104 -6.468 1.00 43.90 ? ? ? ? ? ? 189 MET B O 1 -ATOM 4266 C CB . MET F 3 189 ? 56.161 64.831 -8.198 1.00 43.69 ? ? ? ? ? ? 189 MET B CB 1 -ATOM 4267 C CG . MET F 3 189 ? 56.691 63.989 -9.317 1.00 43.93 ? ? ? ? ? ? 189 MET B CG 1 -ATOM 4268 S SD . MET F 3 189 ? 55.268 63.547 -10.339 1.00 51.99 ? ? ? ? ? ? 189 MET B SD 1 -ATOM 4269 C CE . MET F 3 189 ? 56.100 63.229 -11.881 1.00 46.57 ? ? ? ? ? ? 189 MET B CE 1 -ATOM 4270 N N . LEU F 3 190 ? 56.539 65.681 -4.819 1.00 38.63 ? ? ? ? ? ? 190 LEU B N 1 -ATOM 4271 C CA . LEU F 3 190 ? 56.041 66.456 -3.700 1.00 34.94 ? ? ? ? ? ? 190 LEU B CA 1 -ATOM 4272 C C . LEU F 3 190 ? 57.226 66.995 -2.959 1.00 33.73 ? ? ? ? ? ? 190 LEU B C 1 -ATOM 4273 O O . LEU F 3 190 ? 57.230 68.144 -2.554 1.00 31.32 ? ? ? ? ? ? 190 LEU B O 1 -ATOM 4274 C CB . LEU F 3 190 ? 55.235 65.581 -2.770 1.00 32.64 ? ? ? ? ? ? 190 LEU B CB 1 -ATOM 4275 C CG . LEU F 3 190 ? 54.063 65.045 -3.569 1.00 35.13 ? ? ? ? ? ? 190 LEU B CG 1 -ATOM 4276 C CD1 . LEU F 3 190 ? 53.464 63.856 -2.901 1.00 33.11 ? ? ? ? ? ? 190 LEU B CD1 1 -ATOM 4277 C CD2 . LEU F 3 190 ? 53.072 66.154 -3.731 1.00 27.12 ? ? ? ? ? ? 190 LEU B CD2 1 -ATOM 4278 N N . GLU F 3 191 ? 58.217 66.136 -2.755 1.00 38.97 ? ? ? ? ? ? 191 GLU B N 1 -ATOM 4279 C CA . GLU F 3 191 ? 59.443 66.529 -2.076 1.00 45.76 ? ? ? ? ? ? 191 GLU B CA 1 -ATOM 4280 C C . GLU F 3 191 ? 60.012 67.655 -2.931 1.00 48.67 ? ? ? ? ? ? 191 GLU B C 1 -ATOM 4281 O O . GLU F 3 191 ? 60.276 68.753 -2.437 1.00 49.59 ? ? ? ? ? ? 191 GLU B O 1 -ATOM 4282 C CB . GLU F 3 191 ? 60.431 65.318 -1.992 1.00 50.13 ? ? ? ? ? ? 191 GLU B CB 1 -ATOM 4283 C CG . GLU F 3 191 ? 61.186 65.114 -0.604 1.00 53.77 ? ? ? ? ? ? 191 GLU B CG 1 -ATOM 4284 C CD . GLU F 3 191 ? 62.091 63.835 -0.466 1.00 54.77 ? ? ? ? ? ? 191 GLU B CD 1 -ATOM 4285 O OE1 . GLU F 3 191 ? 63.248 63.964 0.016 1.00 46.67 ? ? ? ? ? ? 191 GLU B OE1 1 -ATOM 4286 O OE2 . GLU F 3 191 ? 61.648 62.703 -0.811 1.00 55.00 ? ? ? ? ? ? 191 GLU B OE2 1 -ATOM 4287 N N . ASP F 3 192 ? 60.153 67.379 -4.231 1.00 50.03 ? ? ? ? ? ? 192 ASP B N 1 -ATOM 4288 C CA . ASP F 3 192 ? 60.635 68.362 -5.212 1.00 47.15 ? ? ? ? ? ? 192 ASP B CA 1 -ATOM 4289 C C . ASP F 3 192 ? 59.772 69.611 -5.031 1.00 47.27 ? ? ? ? ? ? 192 ASP B C 1 -ATOM 4290 O O . ASP F 3 192 ? 60.178 70.615 -4.428 1.00 38.77 ? ? ? ? ? ? 192 ASP B O 1 -ATOM 4291 C CB . ASP F 3 192 ? 60.471 67.809 -6.650 1.00 38.43 ? ? ? ? ? ? 192 ASP B CB 1 -ATOM 4292 C CG . ASP F 3 192 ? 61.761 67.826 -7.448 1.00 38.49 ? ? ? ? ? ? 192 ASP B CG 1 -ATOM 4293 O OD1 . ASP F 3 192 ? 61.719 67.575 -8.669 1.00 43.61 ? ? ? ? ? ? 192 ASP B OD1 1 -ATOM 4294 O OD2 . ASP F 3 192 ? 62.828 68.080 -6.851 1.00 52.10 ? ? ? ? ? ? 192 ASP B OD2 1 -ATOM 4295 N N . GLN F 3 193 ? 58.535 69.493 -5.502 1.00 46.12 ? ? ? ? ? ? 193 GLN B N 1 -ATOM 4296 C CA . GLN F 3 193 ? 57.569 70.559 -5.404 1.00 40.91 ? ? ? ? ? ? 193 GLN B CA 1 -ATOM 4297 C C . GLN F 3 193 ? 57.729 71.210 -4.028 1.00 41.74 ? ? ? ? ? ? 193 GLN B C 1 -ATOM 4298 O O . GLN F 3 193 ? 57.405 72.373 -3.851 1.00 48.75 ? ? ? ? ? ? 193 GLN B O 1 -ATOM 4299 C CB . GLN F 3 193 ? 56.195 69.958 -5.602 1.00 48.51 ? ? ? ? ? ? 193 GLN B CB 1 -ATOM 4300 C CG . GLN F 3 193 ? 55.114 70.958 -5.956 1.00 55.00 ? ? ? ? ? ? 193 GLN B CG 1 -ATOM 4301 C CD . GLN F 3 193 ? 53.752 70.303 -5.981 1.00 55.00 ? ? ? ? ? ? 193 GLN B CD 1 -ATOM 4302 O OE1 . GLN F 3 193 ? 52.772 70.876 -6.472 1.00 55.00 ? ? ? ? ? ? 193 GLN B OE1 1 -ATOM 4303 N NE2 . GLN F 3 193 ? 53.684 69.081 -5.450 1.00 55.00 ? ? ? ? ? ? 193 GLN B NE2 1 -ATOM 4304 N N . ASN F 3 194 ? 58.198 70.418 -3.059 1.00 43.98 ? ? ? ? ? ? 194 ASN B N 1 -ATOM 4305 C CA . ASN F 3 194 ? 58.579 70.871 -1.718 1.00 47.59 ? ? ? ? ? ? 194 ASN B CA 1 -ATOM 4306 C C . ASN F 3 194 ? 57.457 70.854 -0.669 1.00 47.71 ? ? ? ? ? ? 194 ASN B C 1 -ATOM 4307 O O . ASN F 3 194 ? 57.616 71.614 0.287 1.00 54.83 ? ? ? ? ? ? 194 ASN B O 1 -ATOM 4308 C CB . ASN F 3 194 ? 59.143 72.282 -1.774 1.00 50.86 ? ? ? ? ? ? 194 ASN B CB 1 -ATOM 4309 C CG . ASN F 3 194 ? 60.604 72.282 -2.039 1.00 55.00 ? ? ? ? ? ? 194 ASN B CG 1 -ATOM 4310 O OD1 . ASN F 3 194 ? 61.114 72.928 -2.971 1.00 55.00 ? ? ? ? ? ? 194 ASN B OD1 1 -ATOM 4311 N ND2 . ASN F 3 194 ? 61.313 71.540 -1.198 1.00 51.89 ? ? ? ? ? ? 194 ASN B ND2 1 -ATOM 4312 N N . LEU F 3 195 ? 56.366 70.091 -0.707 1.00 49.01 ? ? ? ? ? ? 195 LEU B N 1 -ATOM 4313 C CA . LEU F 3 195 ? 55.512 70.215 0.484 1.00 48.13 ? ? ? ? ? ? 195 LEU B CA 1 -ATOM 4314 C C . LEU F 3 195 ? 55.727 69.072 1.525 1.00 48.85 ? ? ? ? ? ? 195 LEU B C 1 -ATOM 4315 O O . LEU F 3 195 ? 55.096 69.051 2.584 1.00 47.31 ? ? ? ? ? ? 195 LEU B O 1 -ATOM 4316 C CB . LEU F 3 195 ? 54.031 70.276 0.061 1.00 46.71 ? ? ? ? ? ? 195 LEU B CB 1 -ATOM 4317 C CG . LEU F 3 195 ? 53.349 69.173 -0.748 1.00 50.73 ? ? ? ? ? ? 195 LEU B CG 1 -ATOM 4318 C CD1 . LEU F 3 195 ? 53.373 67.801 -0.054 1.00 55.00 ? ? ? ? ? ? 195 LEU B CD1 1 -ATOM 4319 C CD2 . LEU F 3 195 ? 51.904 69.609 -0.895 1.00 46.79 ? ? ? ? ? ? 195 LEU B CD2 1 -ATOM 4320 N N . ILE F 3 196 ? 56.634 68.141 1.229 1.00 49.61 ? ? ? ? ? ? 196 ILE B N 1 -ATOM 4321 C CA . ILE F 3 196 ? 56.953 67.025 2.135 1.00 47.78 ? ? ? ? ? ? 196 ILE B CA 1 -ATOM 4322 C C . ILE F 3 196 ? 58.400 66.625 1.910 1.00 49.78 ? ? ? ? ? ? 196 ILE B C 1 -ATOM 4323 O O . ILE F 3 196 ? 58.986 67.026 0.917 1.00 43.69 ? ? ? ? ? ? 196 ILE B O 1 -ATOM 4324 C CB . ILE F 3 196 ? 56.091 65.742 1.865 1.00 46.51 ? ? ? ? ? ? 196 ILE B CB 1 -ATOM 4325 C CG1 . ILE F 3 196 ? 56.503 64.616 2.822 1.00 41.92 ? ? ? ? ? ? 196 ILE B CG1 1 -ATOM 4326 C CG2 . ILE F 3 196 ? 56.347 65.223 0.446 1.00 43.91 ? ? ? ? ? ? 196 ILE B CG2 1 -ATOM 4327 C CD1 . ILE F 3 196 ? 55.802 63.289 2.591 1.00 33.72 ? ? ? ? ? ? 196 ILE B CD1 1 -ATOM 4328 N N . SER F 3 197 ? 58.957 65.851 2.837 1.00 48.99 ? ? ? ? ? ? 197 SER B N 1 -ATOM 4329 C CA . SER F 3 197 ? 60.305 65.270 2.742 1.00 48.63 ? ? ? ? ? ? 197 SER B CA 1 -ATOM 4330 C C . SER F 3 197 ? 60.117 63.795 3.174 1.00 49.79 ? ? ? ? ? ? 197 SER B C 1 -ATOM 4331 O O . SER F 3 197 ? 59.284 63.550 4.059 1.00 53.36 ? ? ? ? ? ? 197 SER B O 1 -ATOM 4332 C CB . SER F 3 197 ? 61.279 66.010 3.697 1.00 50.39 ? ? ? ? ? ? 197 SER B CB 1 -ATOM 4333 O OG . SER F 3 197 ? 61.608 67.334 3.256 1.00 48.61 ? ? ? ? ? ? 197 SER B OG 1 -ATOM 4334 N N . ALA F 3 198 ? 60.828 62.825 2.575 1.00 43.28 ? ? ? ? ? ? 198 ALA B N 1 -ATOM 4335 C CA . ALA F 3 198 ? 60.637 61.415 2.956 1.00 39.32 ? ? ? ? ? ? 198 ALA B CA 1 -ATOM 4336 C C . ALA F 3 198 ? 61.842 60.507 2.692 1.00 43.21 ? ? ? ? ? ? 198 ALA B C 1 -ATOM 4337 O O . ALA F 3 198 ? 62.731 60.797 1.869 1.00 40.26 ? ? ? ? ? ? 198 ALA B O 1 -ATOM 4338 C CB . ALA F 3 198 ? 59.431 60.851 2.225 1.00 29.81 ? ? ? ? ? ? 198 ALA B CB 1 -ATOM 4339 N N . HIS F 3 199 ? 61.817 59.379 3.408 1.00 49.57 ? ? ? ? ? ? 199 HIS B N 1 -ATOM 4340 C CA . HIS F 3 199 ? 62.865 58.335 3.442 1.00 49.87 ? ? ? ? ? ? 199 HIS B CA 1 -ATOM 4341 C C . HIS F 3 199 ? 62.328 57.303 4.517 1.00 46.31 ? ? ? ? ? ? 199 HIS B C 1 -ATOM 4342 O O . HIS F 3 199 ? 62.615 57.443 5.725 1.00 47.21 ? ? ? ? ? ? 199 HIS B O 1 -ATOM 4343 C CB . HIS F 3 199 ? 64.201 59.055 3.858 1.00 49.82 ? ? ? ? ? ? 199 HIS B CB 1 -ATOM 4344 C CG . HIS F 3 199 ? 65.492 58.280 3.690 1.00 49.46 ? ? ? ? ? ? 199 HIS B CG 1 -ATOM 4345 N ND1 . HIS F 3 199 ? 66.223 57.792 4.761 1.00 47.28 ? ? ? ? ? ? 199 HIS B ND1 1 -ATOM 4346 C CD2 . HIS F 3 199 ? 66.227 57.991 2.586 1.00 49.96 ? ? ? ? ? ? 199 HIS B CD2 1 -ATOM 4347 C CE1 . HIS F 3 199 ? 67.346 57.247 4.328 1.00 42.58 ? ? ? ? ? ? 199 HIS B CE1 1 -ATOM 4348 N NE2 . HIS F 3 199 ? 67.374 57.355 3.010 1.00 43.95 ? ? ? ? ? ? 199 HIS B NE2 1 -ATOM 4349 N N . GLY F 3 200 ? 61.501 56.333 4.075 1.00 40.10 ? ? ? ? ? ? 200 GLY B N 1 -ATOM 4350 C CA . GLY F 3 200 ? 60.906 55.308 4.941 1.00 27.33 ? ? ? ? ? ? 200 GLY B CA 1 -ATOM 4351 C C . GLY F 3 200 ? 59.804 55.903 5.808 1.00 34.99 ? ? ? ? ? ? 200 GLY B C 1 -ATOM 4352 O O . GLY F 3 200 ? 58.694 55.374 5.952 1.00 36.63 ? ? ? ? ? ? 200 GLY B O 1 -ATOM 4353 N N . LYS F 3 201 ? 60.166 56.999 6.460 1.00 42.07 ? ? ? ? ? ? 201 LYS B N 1 -ATOM 4354 C CA . LYS F 3 201 ? 59.255 57.809 7.245 1.00 44.42 ? ? ? ? ? ? 201 LYS B CA 1 -ATOM 4355 C C . LYS F 3 201 ? 58.840 58.965 6.324 1.00 44.63 ? ? ? ? ? ? 201 LYS B C 1 -ATOM 4356 O O . LYS F 3 201 ? 59.532 59.247 5.341 1.00 49.47 ? ? ? ? ? ? 201 LYS B O 1 -ATOM 4357 C CB . LYS F 3 201 ? 59.985 58.344 8.479 1.00 48.26 ? ? ? ? ? ? 201 LYS B CB 1 -ATOM 4358 C CG . LYS F 3 201 ? 61.251 59.136 8.167 1.00 46.18 ? ? ? ? ? ? 201 LYS B CG 1 -ATOM 4359 C CD . LYS F 3 201 ? 61.700 59.966 9.380 1.00 50.97 ? ? ? ? ? ? 201 LYS B CD 1 -ATOM 4360 C CE . LYS F 3 201 ? 62.794 60.968 8.965 1.00 55.00 ? ? ? ? ? ? 201 LYS B CE 1 -ATOM 4361 N NZ . LYS F 3 201 ? 63.147 62.022 9.974 1.00 46.95 ? ? ? ? ? ? 201 LYS B NZ 1 -ATOM 4362 N N . THR F 3 202 ? 57.756 59.658 6.623 1.00 42.59 ? ? ? ? ? ? 202 THR B N 1 -ATOM 4363 C CA . THR F 3 202 ? 57.340 60.779 5.784 1.00 45.69 ? ? ? ? ? ? 202 THR B CA 1 -ATOM 4364 C C . THR F 3 202 ? 57.162 62.028 6.632 1.00 45.33 ? ? ? ? ? ? 202 THR B C 1 -ATOM 4365 O O . THR F 3 202 ? 56.354 62.056 7.567 1.00 48.13 ? ? ? ? ? ? 202 THR B O 1 -ATOM 4366 C CB . THR F 3 202 ? 56.002 60.461 5.045 1.00 45.90 ? ? ? ? ? ? 202 THR B CB 1 -ATOM 4367 O OG1 . THR F 3 202 ? 55.101 59.797 5.945 1.00 47.06 ? ? ? ? ? ? 202 THR B OG1 1 -ATOM 4368 C CG2 . THR F 3 202 ? 56.269 59.591 3.815 1.00 45.47 ? ? ? ? ? ? 202 THR B CG2 1 -ATOM 4369 N N . ILE F 3 203 ? 57.964 63.045 6.337 1.00 38.83 ? ? ? ? ? ? 203 ILE B N 1 -ATOM 4370 C CA . ILE F 3 203 ? 57.878 64.274 7.088 1.00 34.33 ? ? ? ? ? ? 203 ILE B CA 1 -ATOM 4371 C C . ILE F 3 203 ? 57.026 65.299 6.378 1.00 36.07 ? ? ? ? ? ? 203 ILE B C 1 -ATOM 4372 O O . ILE F 3 203 ? 57.440 65.905 5.369 1.00 30.72 ? ? ? ? ? ? 203 ILE B O 1 -ATOM 4373 C CB . ILE F 3 203 ? 59.219 64.928 7.304 1.00 39.32 ? ? ? ? ? ? 203 ILE B CB 1 -ATOM 4374 C CG1 . ILE F 3 203 ? 60.180 63.980 8.028 1.00 39.91 ? ? ? ? ? ? 203 ILE B CG1 1 -ATOM 4375 C CG2 . ILE F 3 203 ? 58.985 66.201 8.105 1.00 37.86 ? ? ? ? ? ? 203 ILE B CG2 1 -ATOM 4376 C CD1 . ILE F 3 203 ? 60.711 62.811 7.197 1.00 35.03 ? ? ? ? ? ? 203 ILE B CD1 1 -ATOM 4377 N N . VAL F 3 204 ? 55.822 65.479 6.898 1.00 36.43 ? ? ? ? ? ? 204 VAL B N 1 -ATOM 4378 C CA . VAL F 3 204 ? 54.939 66.465 6.325 1.00 44.34 ? ? ? ? ? ? 204 VAL B CA 1 -ATOM 4379 C C . VAL F 3 204 ? 55.540 67.795 6.706 1.00 47.25 ? ? ? ? ? ? 204 VAL B C 1 -ATOM 4380 O O . VAL F 3 204 ? 56.210 67.871 7.742 1.00 53.56 ? ? ? ? ? ? 204 VAL B O 1 -ATOM 4381 C CB . VAL F 3 204 ? 53.520 66.440 6.924 1.00 47.34 ? ? ? ? ? ? 204 VAL B CB 1 -ATOM 4382 C CG1 . VAL F 3 204 ? 53.528 67.148 8.292 1.00 38.40 ? ? ? ? ? ? 204 VAL B CG1 1 -ATOM 4383 C CG2 . VAL F 3 204 ? 52.546 67.137 5.979 1.00 48.02 ? ? ? ? ? ? 204 VAL B CG2 1 -ATOM 4384 N N . VAL F 3 205 ? 55.358 68.816 5.878 1.00 45.13 ? ? ? ? ? ? 205 VAL B N 1 -ATOM 4385 C CA . VAL F 3 205 ? 55.792 70.158 6.279 1.00 44.73 ? ? ? ? ? ? 205 VAL B CA 1 -ATOM 4386 C C . VAL F 3 205 ? 54.468 70.987 6.231 1.00 44.05 ? ? ? ? ? ? 205 VAL B C 1 -ATOM 4387 O O . VAL F 3 205 ? 53.372 70.375 6.486 1.00 31.19 ? ? ? ? ? ? 205 VAL B O 1 -ATOM 4388 C CB . VAL F 3 205 ? 56.902 70.804 5.278 1.00 33.70 ? ? ? ? ? ? 205 VAL B CB 1 -ATOM 4389 C CG1 . VAL F 3 205 ? 57.437 72.095 5.886 1.00 36.67 ? ? ? ? ? ? 205 VAL B CG1 1 -ATOM 4390 C CG2 . VAL F 3 205 ? 58.117 69.915 5.115 1.00 27.64 ? ? ? ? ? ? 205 VAL B CG2 1 -HETATM 4391 P P . CMP G 4 . ? 30.868 44.322 10.111 1.00 22.81 ? ? ? ? ? ? 761 CMP B P 1 -HETATM 4392 O O1P . CMP G 4 . ? 30.249 44.780 8.824 1.00 17.93 ? ? ? ? ? ? 761 CMP B O1P 1 -HETATM 4393 O O2P . CMP G 4 . ? 30.231 43.185 10.844 1.00 18.79 ? ? ? ? ? ? 761 CMP B O2P 1 -HETATM 4394 O "O5'" . CMP G 4 . ? 32.366 43.895 9.809 1.00 13.33 ? ? ? ? ? ? 761 CMP B "O5'" 1 -HETATM 4395 C "C5'" . CMP G 4 . ? 33.274 44.800 9.251 1.00 17.27 ? ? ? ? ? ? 761 CMP B "C5'" 1 -HETATM 4396 C "C4'" . CMP G 4 . ? 33.284 46.017 10.078 1.00 16.92 ? ? ? ? ? ? 761 CMP B "C4'" 1 -HETATM 4397 O "O4'" . CMP G 4 . ? 34.091 47.063 9.520 1.00 19.03 ? ? ? ? ? ? 761 CMP B "O4'" 1 -HETATM 4398 C "C3'" . CMP G 4 . ? 31.951 46.686 10.283 1.00 16.47 ? ? ? ? ? ? 761 CMP B "C3'" 1 -HETATM 4399 O "O3'" . CMP G 4 . ? 31.094 45.720 10.901 1.00 15.14 ? ? ? ? ? ? 761 CMP B "O3'" 1 -HETATM 4400 C "C2'" . CMP G 4 . ? 32.444 47.944 10.985 1.00 12.11 ? ? ? ? ? ? 761 CMP B "C2'" 1 -HETATM 4401 C "C1'" . CMP G 4 . ? 33.587 48.307 10.004 1.00 20.63 ? ? ? ? ? ? 761 CMP B "C1'" 1 -HETATM 4402 N N9 . CMP G 4 . ? 33.317 49.131 8.805 1.00 18.49 ? ? ? ? ? ? 761 CMP B N9 1 -HETATM 4403 C C8 . CMP G 4 . ? 32.660 48.826 7.627 1.00 19.25 ? ? ? ? ? ? 761 CMP B C8 1 -HETATM 4404 N N7 . CMP G 4 . ? 32.732 49.773 6.710 1.00 15.30 ? ? ? ? ? ? 761 CMP B N7 1 -HETATM 4405 C C5 . CMP G 4 . ? 33.450 50.775 7.339 1.00 22.11 ? ? ? ? ? ? 761 CMP B C5 1 -HETATM 4406 C C6 . CMP G 4 . ? 33.878 52.048 6.920 1.00 19.56 ? ? ? ? ? ? 761 CMP B C6 1 -HETATM 4407 N N6 . CMP G 4 . ? 33.651 52.576 5.730 1.00 29.04 ? ? ? ? ? ? 761 CMP B N6 1 -HETATM 4408 N N1 . CMP G 4 . ? 34.576 52.780 7.802 1.00 25.11 ? ? ? ? ? ? 761 CMP B N1 1 -HETATM 4409 C C2 . CMP G 4 . ? 34.827 52.273 9.053 1.00 22.25 ? ? ? ? ? ? 761 CMP B C2 1 -HETATM 4410 N N3 . CMP G 4 . ? 34.479 51.128 9.560 1.00 7.44 ? ? ? ? ? ? 761 CMP B N3 1 -HETATM 4411 C C4 . CMP G 4 . ? 33.791 50.404 8.646 1.00 22.16 ? ? ? ? ? ? 761 CMP B C4 1 -HETATM 4412 P P . CMP H 4 . ? 23.446 66.059 7.025 1.00 21.21 ? ? ? ? ? ? 762 CMP A P 1 -HETATM 4413 O O1P . CMP H 4 . ? 24.861 65.799 6.725 1.00 16.95 ? ? ? ? ? ? 762 CMP A O1P 1 -HETATM 4414 O O2P . CMP H 4 . ? 23.112 66.994 8.149 1.00 26.22 ? ? ? ? ? ? 762 CMP A O2P 1 -HETATM 4415 O "O5'" . CMP H 4 . ? 22.849 66.716 5.697 1.00 26.51 ? ? ? ? ? ? 762 CMP A "O5'" 1 -HETATM 4416 C "C5'" . CMP H 4 . ? 22.696 65.967 4.459 1.00 24.11 ? ? ? ? ? ? 762 CMP A "C5'" 1 -HETATM 4417 C "C4'" . CMP H 4 . ? 22.122 64.593 4.720 1.00 19.73 ? ? ? ? ? ? 762 CMP A "C4'" 1 -HETATM 4418 O "O4'" . CMP H 4 . ? 22.430 63.679 3.642 1.00 19.87 ? ? ? ? ? ? 762 CMP A "O4'" 1 -HETATM 4419 C "C3'" . CMP H 4 . ? 22.777 63.849 5.855 1.00 23.16 ? ? ? ? ? ? 762 CMP A "C3'" 1 -HETATM 4420 O "O3'" . CMP H 4 . ? 22.698 64.643 7.044 1.00 16.35 ? ? ? ? ? ? 762 CMP A "O3'" 1 -HETATM 4421 C "C2'" . CMP H 4 . ? 22.150 62.475 5.657 1.00 15.69 ? ? ? ? ? ? 762 CMP A "C2'" 1 -HETATM 4422 C "C1'" . CMP H 4 . ? 22.386 62.324 4.137 1.00 24.39 ? ? ? ? ? ? 762 CMP A "C1'" 1 -HETATM 4423 N N9 . CMP H 4 . ? 23.619 61.624 3.714 1.00 12.64 ? ? ? ? ? ? 762 CMP A N9 1 -HETATM 4424 C C8 . CMP H 4 . ? 24.903 62.073 3.841 1.00 22.17 ? ? ? ? ? ? 762 CMP A C8 1 -HETATM 4425 N N7 . CMP H 4 . ? 25.821 61.231 3.387 1.00 20.71 ? ? ? ? ? ? 762 CMP A N7 1 -HETATM 4426 C C5 . CMP H 4 . ? 25.086 60.156 2.920 1.00 13.01 ? ? ? ? ? ? 762 CMP A C5 1 -HETATM 4427 C C6 . CMP H 4 . ? 25.475 58.919 2.309 1.00 14.58 ? ? ? ? ? ? 762 CMP A C6 1 -HETATM 4428 N N6 . CMP H 4 . ? 26.765 58.591 1.967 1.00 12.19 ? ? ? ? ? ? 762 CMP A N6 1 -HETATM 4429 N N1 . CMP H 4 . ? 24.497 58.040 2.025 1.00 9.86 ? ? ? ? ? ? 762 CMP A N1 1 -HETATM 4430 C C2 . CMP H 4 . ? 23.221 58.389 2.273 1.00 10.47 ? ? ? ? ? ? 762 CMP A C2 1 -HETATM 4431 N N3 . CMP H 4 . ? 22.727 59.528 2.798 1.00 18.21 ? ? ? ? ? ? 762 CMP A N3 1 -HETATM 4432 C C4 . CMP H 4 . ? 23.721 60.378 3.112 1.00 15.89 ? ? ? ? ? ? 762 CMP A C4 1 -HETATM 4433 O O . HOH I 5 . ? 10.284 72.559 -8.903 1.00 22.85 ? ? ? ? ? ? 611 HOH A O 1 -HETATM 4434 O O . HOH I 5 . ? 9.255 57.324 -28.987 1.00 55.00 ? ? ? ? ? ? 654 HOH A O 1 -HETATM 4435 O O . HOH I 5 . ? 21.678 54.651 -24.966 1.00 43.43 ? ? ? ? ? ? 657 HOH A O 1 -HETATM 4436 O O . HOH I 5 . ? 7.400 73.484 -9.214 1.00 47.11 ? ? ? ? ? ? 705 HOH A O 1 -HETATM 4437 O O . HOH I 5 . ? 17.557 61.852 -14.892 1.00 42.94 ? ? ? ? ? ? 717 HOH A O 1 -HETATM 4438 O O . HOH I 5 . ? 11.375 59.500 -14.354 1.00 52.68 ? ? ? ? ? ? 719 HOH A O 1 -HETATM 4439 O O . HOH I 5 . ? 12.614 53.284 -14.492 1.00 51.76 ? ? ? ? ? ? 720 HOH A O 1 -HETATM 4440 O O . HOH I 5 . ? 13.058 60.579 -10.316 1.00 49.73 ? ? ? ? ? ? 721 HOH A O 1 -HETATM 4441 O O . HOH I 5 . ? 28.816 53.412 -29.637 1.00 39.73 ? ? ? ? ? ? 722 HOH A O 1 -HETATM 4442 O O . HOH I 5 . ? 21.255 54.038 -29.711 1.00 41.83 ? ? ? ? ? ? 723 HOH A O 1 -HETATM 4443 O O . HOH I 5 . ? 38.936 47.409 -18.387 1.00 40.91 ? ? ? ? ? ? 725 HOH A O 1 -HETATM 4444 O O . HOH I 5 . ? 41.262 47.175 -17.411 1.00 38.05 ? ? ? ? ? ? 726 HOH A O 1 -HETATM 4445 O O . HOH I 5 . ? 12.478 74.038 6.484 1.00 49.67 ? ? ? ? ? ? 734 HOH A O 1 -HETATM 4446 O O . HOH I 5 . ? 18.509 73.301 5.314 1.00 43.09 ? ? ? ? ? ? 735 HOH A O 1 -HETATM 4447 O O . HOH I 5 . ? 19.750 65.654 -12.399 1.00 25.25 ? ? ? ? ? ? 736 HOH A O 1 -HETATM 4448 O O . HOH I 5 . ? 23.380 68.251 -12.222 1.00 25.18 ? ? ? ? ? ? 737 HOH A O 1 -HETATM 4449 O O . HOH I 5 . ? 14.892 62.388 -11.516 1.00 41.10 ? ? ? ? ? ? 738 HOH A O 1 -HETATM 4450 O O . HOH I 5 . ? 24.435 69.769 -18.274 1.00 48.14 ? ? ? ? ? ? 744 HOH A O 1 -HETATM 4451 O O . HOH I 5 . ? 25.815 69.476 -21.119 1.00 48.69 ? ? ? ? ? ? 745 HOH A O 1 -HETATM 4452 O O . HOH I 5 . ? 27.956 67.774 -19.811 1.00 55.00 ? ? ? ? ? ? 746 HOH A O 1 -HETATM 4453 O O . HOH I 5 . ? 26.553 66.389 -18.032 1.00 51.67 ? ? ? ? ? ? 747 HOH A O 1 -HETATM 4454 O O . HOH J 5 . ? 59.562 53.896 4.476 1.00 30.56 ? ? ? ? ? ? 532 HOH B O 1 -HETATM 4455 O O . HOH J 5 . ? 55.057 58.699 -15.558 1.00 44.05 ? ? ? ? ? ? 555 HOH B O 1 -HETATM 4456 O O . HOH J 5 . ? 59.004 61.481 -14.106 1.00 55.00 ? ? ? ? ? ? 638 HOH B O 1 -HETATM 4457 O O . HOH J 5 . ? 40.467 58.019 -13.975 1.00 51.91 ? ? ? ? ? ? 664 HOH B O 1 -HETATM 4458 O O . HOH J 5 . ? 43.433 63.243 -13.179 1.00 53.31 ? ? ? ? ? ? 665 HOH B O 1 -HETATM 4459 O O . HOH J 5 . ? 37.656 60.746 -12.566 1.00 55.00 ? ? ? ? ? ? 680 HOH B O 1 -HETATM 4460 O O . HOH J 5 . ? 27.051 28.112 9.958 1.00 40.96 ? ? ? ? ? ? 694 HOH B O 1 -HETATM 4461 O O . HOH J 5 . ? 66.350 59.431 7.530 1.00 46.96 ? ? ? ? ? ? 698 HOH B O 1 -HETATM 4462 O O . HOH J 5 . ? 50.447 47.743 -5.108 1.00 51.54 ? ? ? ? ? ? 727 HOH B O 1 -HETATM 4463 O O . HOH J 5 . ? 47.146 45.975 -3.411 1.00 42.22 ? ? ? ? ? ? 728 HOH B O 1 -HETATM 4464 O O . HOH J 5 . ? 46.157 49.437 -7.502 1.00 53.47 ? ? ? ? ? ? 729 HOH B O 1 -HETATM 4465 O O . HOH J 5 . ? 43.808 40.145 -13.034 1.00 30.09 ? ? ? ? ? ? 730 HOH B O 1 -HETATM 4466 O O . HOH J 5 . ? 36.050 55.545 6.786 1.00 37.49 ? ? ? ? ? ? 731 HOH B O 1 -HETATM 4467 O O . HOH J 5 . ? 38.361 59.270 3.275 1.00 53.62 ? ? ? ? ? ? 732 HOH B O 1 -HETATM 4468 O O . HOH J 5 . ? 40.217 64.375 2.797 1.00 44.11 ? ? ? ? ? ? 733 HOH B O 1 -HETATM 4469 O O . HOH J 5 . ? 41.541 53.966 -8.409 1.00 51.18 ? ? ? ? ? ? 739 HOH B O 1 -HETATM 4470 O O . HOH J 5 . ? 39.178 56.148 -9.152 1.00 32.47 ? ? ? ? ? ? 740 HOH B O 1 -HETATM 4471 O O . HOH J 5 . ? 40.084 58.973 -11.133 1.00 51.60 ? ? ? ? ? ? 741 HOH B O 1 -HETATM 4472 O O . HOH J 5 . ? 45.750 42.963 -13.260 1.00 55.00 ? ? ? ? ? ? 757 HOH B O 1 -HETATM 4473 O O . HOH J 5 . ? 53.894 43.192 17.506 1.00 50.14 ? ? ? ? ? ? 758 HOH B O 1 -HETATM 4474 O O . HOH J 5 . ? 51.308 41.624 18.445 1.00 44.78 ? ? ? ? ? ? 759 HOH B O 1 -HETATM 4475 O O . HOH J 5 . ? 51.831 41.946 22.916 1.00 43.08 ? ? ? ? ? ? 760 HOH B O 1 -HETATM 4476 O O . HOH K 5 . ? 45.092 62.707 -38.052 1.00 40.55 ? ? ? ? ? ? 497 HOH C O 1 -HETATM 4477 O O . HOH K 5 . ? 34.545 54.424 -34.074 1.00 46.59 ? ? ? ? ? ? 498 HOH C O 1 -HETATM 4478 O O . HOH K 5 . ? 32.083 57.720 -40.155 1.00 25.70 ? ? ? ? ? ? 499 HOH C O 1 -HETATM 4479 O O . HOH K 5 . ? 26.669 65.133 -35.452 1.00 33.79 ? ? ? ? ? ? 500 HOH C O 1 -HETATM 4480 O O . HOH K 5 . ? 21.789 72.181 -22.980 1.00 47.12 ? ? ? ? ? ? 502 HOH C O 1 -HETATM 4481 O O . HOH K 5 . ? 15.248 65.765 -18.568 1.00 13.30 ? ? ? ? ? ? 505 HOH C O 1 -HETATM 4482 O O . HOH K 5 . ? 18.102 63.640 -26.184 1.00 10.55 ? ? ? ? ? ? 506 HOH C O 1 -HETATM 4483 O O . HOH K 5 . ? 38.134 67.177 -36.049 1.00 39.67 ? ? ? ? ? ? 511 HOH C O 1 -HETATM 4484 O O . HOH K 5 . ? 6.496 75.445 -24.344 1.00 34.06 ? ? ? ? ? ? 545 HOH C O 1 -HETATM 4485 O O . HOH K 5 . ? 5.915 78.120 -25.570 1.00 50.35 ? ? ? ? ? ? 546 HOH C O 1 -HETATM 4486 O O . HOH K 5 . ? 26.503 57.806 -38.215 1.00 49.33 ? ? ? ? ? ? 561 HOH C O 1 -HETATM 4487 O O . HOH K 5 . ? 34.543 63.954 -34.779 1.00 26.30 ? ? ? ? ? ? 562 HOH C O 1 -HETATM 4488 O O . HOH K 5 . ? 40.503 54.446 -28.868 1.00 44.04 ? ? ? ? ? ? 565 HOH C O 1 -HETATM 4489 O O . HOH K 5 . ? -4.406 63.698 -17.231 1.00 41.56 ? ? ? ? ? ? 568 HOH C O 1 -HETATM 4490 O O . HOH K 5 . ? -3.754 71.074 -24.645 1.00 26.72 ? ? ? ? ? ? 569 HOH C O 1 -HETATM 4491 O O . HOH K 5 . ? 9.518 75.455 -21.479 1.00 41.76 ? ? ? ? ? ? 572 HOH C O 1 -HETATM 4492 O O . HOH K 5 . ? 17.844 76.245 -23.110 1.00 54.25 ? ? ? ? ? ? 573 HOH C O 1 -HETATM 4493 O O . HOH K 5 . ? 10.529 81.336 -25.817 1.00 20.78 ? ? ? ? ? ? 574 HOH C O 1 -HETATM 4494 O O . HOH K 5 . ? 19.103 72.754 -21.738 1.00 37.97 ? ? ? ? ? ? 576 HOH C O 1 -HETATM 4495 O O . HOH K 5 . ? 37.142 57.678 -32.298 1.00 44.28 ? ? ? ? ? ? 593 HOH C O 1 -HETATM 4496 O O . HOH K 5 . ? 28.559 54.589 -35.786 1.00 33.76 ? ? ? ? ? ? 594 HOH C O 1 -HETATM 4497 O O . HOH K 5 . ? 24.818 56.110 -35.105 1.00 38.87 ? ? ? ? ? ? 595 HOH C O 1 -HETATM 4498 O O . HOH K 5 . ? 6.032 71.716 -33.977 1.00 28.94 ? ? ? ? ? ? 597 HOH C O 1 -HETATM 4499 O O . HOH K 5 . ? 6.701 81.328 -24.221 1.00 32.38 ? ? ? ? ? ? 598 HOH C O 1 -HETATM 4500 O O . HOH K 5 . ? 38.755 57.279 -27.498 1.00 23.05 ? ? ? ? ? ? 600 HOH C O 1 -HETATM 4501 O O . HOH K 5 . ? 15.304 73.759 -12.366 1.00 45.91 ? ? ? ? ? ? 609 HOH C O 1 -HETATM 4502 O O . HOH K 5 . ? 19.746 75.497 -20.941 1.00 24.75 ? ? ? ? ? ? 612 HOH C O 1 -HETATM 4503 O O . HOH K 5 . ? 33.850 55.583 -37.595 1.00 38.18 ? ? ? ? ? ? 631 HOH C O 1 -HETATM 4504 O O . HOH K 5 . ? 41.052 57.278 -30.411 1.00 54.37 ? ? ? ? ? ? 635 HOH C O 1 -HETATM 4505 O O . HOH K 5 . ? 23.329 62.494 -35.820 1.00 44.05 ? ? ? ? ? ? 636 HOH C O 1 -HETATM 4506 O O . HOH K 5 . ? 16.739 74.990 -27.635 1.00 34.45 ? ? ? ? ? ? 645 HOH C O 1 -HETATM 4507 O O . HOH K 5 . ? -2.747 62.236 -18.959 1.00 51.72 ? ? ? ? ? ? 652 HOH C O 1 -HETATM 4508 O O . HOH K 5 . ? 21.437 58.130 -27.166 1.00 44.51 ? ? ? ? ? ? 655 HOH C O 1 -HETATM 4509 O O . HOH K 5 . ? 20.214 58.740 -36.056 1.00 47.44 ? ? ? ? ? ? 656 HOH C O 1 -HETATM 4510 O O . HOH K 5 . ? 15.915 66.391 -16.034 1.00 44.96 ? ? ? ? ? ? 659 HOH C O 1 -HETATM 4511 O O . HOH K 5 . ? 16.874 60.354 -21.901 1.00 39.78 ? ? ? ? ? ? 660 HOH C O 1 -HETATM 4512 O O . HOH K 5 . ? -6.306 64.692 -18.758 1.00 14.12 ? ? ? ? ? ? 672 HOH C O 1 -HETATM 4513 O O . HOH K 5 . ? 21.194 62.919 -31.519 1.00 55.00 ? ? ? ? ? ? 677 HOH C O 1 -HETATM 4514 O O . HOH K 5 . ? 20.660 75.297 -23.813 1.00 41.23 ? ? ? ? ? ? 692 HOH C O 1 -HETATM 4515 O O . HOH K 5 . ? -1.234 68.669 -34.146 1.00 48.42 ? ? ? ? ? ? 699 HOH C O 1 -HETATM 4516 O O . HOH K 5 . ? -4.841 71.213 -27.538 1.00 47.07 ? ? ? ? ? ? 700 HOH C O 1 -HETATM 4517 O O . HOH K 5 . ? -1.095 63.024 -23.484 1.00 43.34 ? ? ? ? ? ? 701 HOH C O 1 -HETATM 4518 O O . HOH K 5 . ? 16.283 79.208 -26.983 1.00 49.40 ? ? ? ? ? ? 702 HOH C O 1 -HETATM 4519 O O . HOH K 5 . ? 19.179 59.427 -27.503 1.00 47.32 ? ? ? ? ? ? 706 HOH C O 1 -HETATM 4520 O O . HOH K 5 . ? 22.551 57.921 -34.154 1.00 55.00 ? ? ? ? ? ? 707 HOH C O 1 -HETATM 4521 O O . HOH K 5 . ? 22.568 54.840 -35.215 1.00 28.25 ? ? ? ? ? ? 708 HOH C O 1 -HETATM 4522 O O . HOH K 5 . ? 37.110 60.913 -39.945 1.00 20.63 ? ? ? ? ? ? 709 HOH C O 1 -HETATM 4523 O O . HOH K 5 . ? 39.915 65.768 -33.913 1.00 55.00 ? ? ? ? ? ? 710 HOH C O 1 -HETATM 4524 O O . HOH K 5 . ? 30.547 58.805 -30.327 1.00 32.03 ? ? ? ? ? ? 715 HOH C O 1 -HETATM 4525 O O . HOH K 5 . ? 24.361 53.539 -32.522 1.00 43.87 ? ? ? ? ? ? 724 HOH C O 1 -HETATM 4526 O O . HOH L 5 . ? 70.347 58.185 -8.109 1.00 55.00 ? ? ? ? ? ? 475 HOH D O 1 -HETATM 4527 O O . HOH L 5 . ? 64.471 44.790 -17.048 1.00 46.14 ? ? ? ? ? ? 476 HOH D O 1 -HETATM 4528 O O . HOH L 5 . ? 51.769 43.366 -8.088 1.00 32.45 ? ? ? ? ? ? 477 HOH D O 1 -HETATM 4529 O O . HOH L 5 . ? 53.137 40.252 -11.712 1.00 55.00 ? ? ? ? ? ? 478 HOH D O 1 -HETATM 4530 O O . HOH L 5 . ? 60.531 36.463 -9.174 1.00 38.78 ? ? ? ? ? ? 479 HOH D O 1 -HETATM 4531 O O . HOH L 5 . ? 58.862 36.585 -19.509 1.00 54.25 ? ? ? ? ? ? 480 HOH D O 1 -HETATM 4532 O O . HOH L 5 . ? 66.890 46.517 -12.427 1.00 27.96 ? ? ? ? ? ? 481 HOH D O 1 -HETATM 4533 O O . HOH L 5 . ? 73.157 47.205 -13.109 1.00 53.02 ? ? ? ? ? ? 482 HOH D O 1 -HETATM 4534 O O . HOH L 5 . ? 65.406 39.582 13.133 1.00 28.43 ? ? ? ? ? ? 485 HOH D O 1 -HETATM 4535 O O . HOH L 5 . ? 62.621 47.039 14.604 1.00 52.46 ? ? ? ? ? ? 486 HOH D O 1 -HETATM 4536 O O . HOH L 5 . ? 65.155 39.397 -1.228 1.00 20.94 ? ? ? ? ? ? 489 HOH D O 1 -HETATM 4537 O O . HOH L 5 . ? 46.206 49.808 -17.576 1.00 35.36 ? ? ? ? ? ? 490 HOH D O 1 -HETATM 4538 O O . HOH L 5 . ? 42.855 63.733 -22.373 1.00 33.69 ? ? ? ? ? ? 493 HOH D O 1 -HETATM 4539 O O . HOH L 5 . ? 51.508 67.455 -17.121 1.00 37.41 ? ? ? ? ? ? 512 HOH D O 1 -HETATM 4540 O O . HOH L 5 . ? 55.844 44.029 14.113 1.00 40.33 ? ? ? ? ? ? 517 HOH D O 1 -HETATM 4541 O O . HOH L 5 . ? 57.886 44.135 10.476 1.00 41.36 ? ? ? ? ? ? 518 HOH D O 1 -HETATM 4542 O O . HOH L 5 . ? 51.555 62.372 -24.432 1.00 27.58 ? ? ? ? ? ? 524 HOH D O 1 -HETATM 4543 O O . HOH L 5 . ? 43.711 56.235 -28.355 1.00 26.56 ? ? ? ? ? ? 525 HOH D O 1 -HETATM 4544 O O . HOH L 5 . ? 60.736 42.023 8.755 1.00 40.46 ? ? ? ? ? ? 529 HOH D O 1 -HETATM 4545 O O . HOH L 5 . ? 56.046 49.978 8.883 1.00 27.41 ? ? ? ? ? ? 530 HOH D O 1 -HETATM 4546 O O . HOH L 5 . ? 70.091 40.615 -3.930 1.00 22.25 ? ? ? ? ? ? 533 HOH D O 1 -HETATM 4547 O O . HOH L 5 . ? 67.001 53.080 -8.644 1.00 42.15 ? ? ? ? ? ? 534 HOH D O 1 -HETATM 4548 O O . HOH L 5 . ? 70.597 45.672 7.197 1.00 19.93 ? ? ? ? ? ? 535 HOH D O 1 -HETATM 4549 O O . HOH L 5 . ? 56.990 37.442 -11.269 1.00 32.19 ? ? ? ? ? ? 538 HOH D O 1 -HETATM 4550 O O . HOH L 5 . ? 65.265 35.444 -10.170 1.00 34.93 ? ? ? ? ? ? 539 HOH D O 1 -HETATM 4551 O O . HOH L 5 . ? 62.109 37.199 -7.114 1.00 52.71 ? ? ? ? ? ? 540 HOH D O 1 -HETATM 4552 O O . HOH L 5 . ? 42.794 68.731 -22.407 1.00 35.15 ? ? ? ? ? ? 547 HOH D O 1 -HETATM 4553 O O . HOH L 5 . ? 46.123 70.632 -24.405 1.00 35.29 ? ? ? ? ? ? 548 HOH D O 1 -HETATM 4554 O O . HOH L 5 . ? 67.748 49.985 -8.437 1.00 10.22 ? ? ? ? ? ? 549 HOH D O 1 -HETATM 4555 O O . HOH L 5 . ? 74.545 45.447 -9.233 1.00 51.32 ? ? ? ? ? ? 550 HOH D O 1 -HETATM 4556 O O . HOH L 5 . ? 54.585 44.617 -19.064 1.00 26.70 ? ? ? ? ? ? 551 HOH D O 1 -HETATM 4557 O O . HOH L 5 . ? 53.794 42.969 -10.618 1.00 50.80 ? ? ? ? ? ? 552 HOH D O 1 -HETATM 4558 O O . HOH L 5 . ? 49.037 44.429 -18.075 1.00 37.42 ? ? ? ? ? ? 553 HOH D O 1 -HETATM 4559 O O . HOH L 5 . ? 48.762 48.216 -18.826 1.00 27.63 ? ? ? ? ? ? 554 HOH D O 1 -HETATM 4560 O O . HOH L 5 . ? 49.442 65.308 -24.106 1.00 24.91 ? ? ? ? ? ? 556 HOH D O 1 -HETATM 4561 O O . HOH L 5 . ? 49.882 70.093 -21.008 1.00 35.27 ? ? ? ? ? ? 557 HOH D O 1 -HETATM 4562 O O . HOH L 5 . ? 43.056 66.665 -27.299 1.00 47.52 ? ? ? ? ? ? 558 HOH D O 1 -HETATM 4563 O O . HOH L 5 . ? 60.509 38.551 -10.754 1.00 46.62 ? ? ? ? ? ? 567 HOH D O 1 -HETATM 4564 O O . HOH L 5 . ? 58.263 43.649 7.952 1.00 45.35 ? ? ? ? ? ? 582 HOH D O 1 -HETATM 4565 O O . HOH L 5 . ? 68.602 58.415 -1.102 1.00 26.82 ? ? ? ? ? ? 584 HOH D O 1 -HETATM 4566 O O . HOH L 5 . ? 62.961 41.331 -17.673 1.00 36.46 ? ? ? ? ? ? 585 HOH D O 1 -HETATM 4567 O O . HOH L 5 . ? 65.781 42.618 -14.654 1.00 33.90 ? ? ? ? ? ? 586 HOH D O 1 -HETATM 4568 O O . HOH L 5 . ? 57.291 38.952 -20.892 1.00 45.33 ? ? ? ? ? ? 587 HOH D O 1 -HETATM 4569 O O . HOH L 5 . ? 45.117 52.569 -17.172 1.00 30.91 ? ? ? ? ? ? 588 HOH D O 1 -HETATM 4570 O O . HOH L 5 . ? 53.289 60.935 -18.784 1.00 52.00 ? ? ? ? ? ? 591 HOH D O 1 -HETATM 4571 O O . HOH L 5 . ? 52.176 45.995 -18.770 1.00 38.67 ? ? ? ? ? ? 601 HOH D O 1 -HETATM 4572 O O . HOH L 5 . ? 46.868 43.275 -9.443 1.00 39.72 ? ? ? ? ? ? 607 HOH D O 1 -HETATM 4573 O O . HOH L 5 . ? 43.045 64.995 -15.789 1.00 49.25 ? ? ? ? ? ? 617 HOH D O 1 -HETATM 4574 O O . HOH L 5 . ? 67.269 32.001 17.229 1.00 48.15 ? ? ? ? ? ? 621 HOH D O 1 -HETATM 4575 O O . HOH L 5 . ? 62.211 36.743 13.534 1.00 46.51 ? ? ? ? ? ? 622 HOH D O 1 -HETATM 4576 O O . HOH L 5 . ? 71.630 38.512 -10.357 1.00 46.87 ? ? ? ? ? ? 624 HOH D O 1 -HETATM 4577 O O . HOH L 5 . ? 69.132 49.442 -10.591 1.00 38.27 ? ? ? ? ? ? 626 HOH D O 1 -HETATM 4578 O O . HOH L 5 . ? 42.251 68.919 -19.154 1.00 38.70 ? ? ? ? ? ? 633 HOH D O 1 -HETATM 4579 O O . HOH L 5 . ? 67.973 57.466 -6.149 1.00 33.81 ? ? ? ? ? ? 642 HOH D O 1 -HETATM 4580 O O . HOH L 5 . ? 50.302 66.708 -28.579 1.00 42.56 ? ? ? ? ? ? 643 HOH D O 1 -HETATM 4581 O O . HOH L 5 . ? 49.016 61.067 -28.672 1.00 53.81 ? ? ? ? ? ? 644 HOH D O 1 -HETATM 4582 O O . HOH L 5 . ? 55.217 38.453 -8.585 1.00 51.32 ? ? ? ? ? ? 666 HOH D O 1 -HETATM 4583 O O . HOH L 5 . ? 55.814 43.041 -8.509 1.00 19.14 ? ? ? ? ? ? 667 HOH D O 1 -HETATM 4584 O O . HOH L 5 . ? 62.561 34.808 -12.282 1.00 30.86 ? ? ? ? ? ? 668 HOH D O 1 -HETATM 4585 O O . HOH L 5 . ? 66.797 49.407 15.098 1.00 55.00 ? ? ? ? ? ? 669 HOH D O 1 -HETATM 4586 O O . HOH L 5 . ? 56.396 41.212 -19.750 1.00 52.13 ? ? ? ? ? ? 683 HOH D O 1 -HETATM 4587 O O . HOH L 5 . ? 50.283 38.631 -15.757 1.00 35.91 ? ? ? ? ? ? 695 HOH D O 1 -HETATM 4588 O O . HOH L 5 . ? 58.305 42.736 -8.090 1.00 44.09 ? ? ? ? ? ? 696 HOH D O 1 -HETATM 4589 O O . HOH L 5 . ? 61.189 39.930 -7.739 1.00 53.41 ? ? ? ? ? ? 697 HOH D O 1 -HETATM 4590 O O . HOH L 5 . ? 68.551 53.858 -6.671 1.00 43.38 ? ? ? ? ? ? 713 HOH D O 1 -HETATM 4591 O O . HOH L 5 . ? 66.847 51.437 8.723 1.00 43.84 ? ? ? ? ? ? 714 HOH D O 1 -HETATM 4592 O O . HOH L 5 . ? 65.905 52.520 14.043 1.00 53.80 ? ? ? ? ? ? 742 HOH D O 1 -HETATM 4593 O O . HOH L 5 . ? 69.799 45.512 1.693 1.00 51.26 ? ? ? ? ? ? 749 HOH D O 1 -HETATM 4594 O O . HOH L 5 . ? 63.835 52.551 11.873 1.00 41.86 ? ? ? ? ? ? 752 HOH D O 1 -HETATM 4595 O O . HOH L 5 . ? 61.683 51.699 14.595 1.00 39.64 ? ? ? ? ? ? 753 HOH D O 1 -HETATM 4596 O O . HOH L 5 . ? 70.864 48.989 -15.635 1.00 55.00 ? ? ? ? ? ? 755 HOH D O 1 -HETATM 4597 O O . HOH M 5 . ? 67.397 35.573 10.316 1.00 20.55 ? ? ? ? ? ? 483 HOH E O 1 -HETATM 4598 O O . HOH M 5 . ? 67.927 39.018 11.403 1.00 28.29 ? ? ? ? ? ? 484 HOH E O 1 -HETATM 4599 O O . HOH M 5 . ? 63.705 52.517 -0.832 1.00 36.53 ? ? ? ? ? ? 487 HOH E O 1 -HETATM 4600 O O . HOH M 5 . ? 65.354 49.889 -4.492 1.00 49.78 ? ? ? ? ? ? 488 HOH E O 1 -HETATM 4601 O O . HOH M 5 . ? 74.697 45.400 5.860 1.00 44.70 ? ? ? ? ? ? 515 HOH E O 1 -HETATM 4602 O O . HOH M 5 . ? 75.656 39.879 3.425 1.00 32.51 ? ? ? ? ? ? 516 HOH E O 1 -HETATM 4603 O O . HOH M 5 . ? 67.795 33.325 3.865 1.00 46.58 ? ? ? ? ? ? 519 HOH E O 1 -HETATM 4604 O O . HOH M 5 . ? 72.727 49.110 4.087 1.00 29.56 ? ? ? ? ? ? 520 HOH E O 1 -HETATM 4605 O O . HOH M 5 . ? 56.084 57.660 -19.059 1.00 22.64 ? ? ? ? ? ? 521 HOH E O 1 -HETATM 4606 O O . HOH M 5 . ? 76.028 51.424 12.000 1.00 34.44 ? ? ? ? ? ? 531 HOH E O 1 -HETATM 4607 O O . HOH M 5 . ? 72.935 51.041 11.055 1.00 31.90 ? ? ? ? ? ? 536 HOH E O 1 -HETATM 4608 O O . HOH M 5 . ? 72.141 46.460 4.120 1.00 52.00 ? ? ? ? ? ? 537 HOH E O 1 -HETATM 4609 O O . HOH M 5 . ? 57.218 36.663 5.877 1.00 21.30 ? ? ? ? ? ? 543 HOH E O 1 -HETATM 4610 O O . HOH M 5 . ? 65.310 39.550 9.706 1.00 33.24 ? ? ? ? ? ? 544 HOH E O 1 -HETATM 4611 O O . HOH M 5 . ? 69.997 37.575 10.818 1.00 55.00 ? ? ? ? ? ? 566 HOH E O 1 -HETATM 4612 O O . HOH M 5 . ? 75.565 35.395 7.040 1.00 33.90 ? ? ? ? ? ? 570 HOH E O 1 -HETATM 4613 O O . HOH M 5 . ? 70.867 49.370 11.889 1.00 35.98 ? ? ? ? ? ? 571 HOH E O 1 -HETATM 4614 O O . HOH M 5 . ? 69.335 38.156 1.355 1.00 38.59 ? ? ? ? ? ? 577 HOH E O 1 -HETATM 4615 O O . HOH M 5 . ? 73.936 49.676 13.646 1.00 47.86 ? ? ? ? ? ? 578 HOH E O 1 -HETATM 4616 O O . HOH M 5 . ? 73.413 46.396 8.669 1.00 43.69 ? ? ? ? ? ? 579 HOH E O 1 -HETATM 4617 O O . HOH M 5 . ? 81.229 50.580 8.324 1.00 37.52 ? ? ? ? ? ? 580 HOH E O 1 -HETATM 4618 O O . HOH M 5 . ? 81.781 42.290 10.185 1.00 25.63 ? ? ? ? ? ? 581 HOH E O 1 -HETATM 4619 O O . HOH M 5 . ? 63.154 49.753 0.787 1.00 20.16 ? ? ? ? ? ? 583 HOH E O 1 -HETATM 4620 O O . HOH M 5 . ? 52.394 48.873 -30.007 1.00 53.55 ? ? ? ? ? ? 590 HOH E O 1 -HETATM 4621 O O . HOH M 5 . ? 61.104 54.976 -26.847 1.00 47.94 ? ? ? ? ? ? 604 HOH E O 1 -HETATM 4622 O O . HOH M 5 . ? 57.666 55.211 -26.018 1.00 50.15 ? ? ? ? ? ? 605 HOH E O 1 -HETATM 4623 O O . HOH M 5 . ? 60.039 55.864 -23.590 1.00 55.00 ? ? ? ? ? ? 606 HOH E O 1 -HETATM 4624 O O . HOH M 5 . ? 60.100 41.365 -5.201 1.00 45.95 ? ? ? ? ? ? 618 HOH E O 1 -HETATM 4625 O O . HOH M 5 . ? 70.637 38.501 14.290 1.00 46.42 ? ? ? ? ? ? 619 HOH E O 1 -HETATM 4626 O O . HOH M 5 . ? 73.290 40.555 14.035 1.00 41.72 ? ? ? ? ? ? 620 HOH E O 1 -HETATM 4627 O O . HOH M 5 . ? 57.193 39.220 8.721 1.00 37.63 ? ? ? ? ? ? 623 HOH E O 1 -HETATM 4628 O O . HOH M 5 . ? 66.092 50.610 -10.399 1.00 23.91 ? ? ? ? ? ? 625 HOH E O 1 -HETATM 4629 O O . HOH M 5 . ? 77.611 47.325 18.440 1.00 35.78 ? ? ? ? ? ? 639 HOH E O 1 -HETATM 4630 O O . HOH M 5 . ? 71.268 40.221 1.712 1.00 47.00 ? ? ? ? ? ? 640 HOH E O 1 -HETATM 4631 O O . HOH M 5 . ? 64.841 55.304 -2.212 1.00 38.46 ? ? ? ? ? ? 641 HOH E O 1 -HETATM 4632 O O . HOH M 5 . ? 60.211 47.358 -24.602 1.00 44.79 ? ? ? ? ? ? 646 HOH E O 1 -HETATM 4633 O O . HOH M 5 . ? 57.361 49.302 -22.833 1.00 33.40 ? ? ? ? ? ? 647 HOH E O 1 -HETATM 4634 O O . HOH M 5 . ? 57.900 46.482 -21.158 1.00 49.78 ? ? ? ? ? ? 684 HOH E O 1 -HETATM 4635 O O . HOH M 5 . ? 57.827 43.936 -4.996 1.00 54.36 ? ? ? ? ? ? 685 HOH E O 1 -HETATM 4636 O O . HOH M 5 . ? 80.651 48.325 11.022 1.00 29.52 ? ? ? ? ? ? 686 HOH E O 1 -HETATM 4637 O O . HOH M 5 . ? 79.286 51.604 13.129 1.00 49.66 ? ? ? ? ? ? 687 HOH E O 1 -HETATM 4638 O O . HOH M 5 . ? 80.238 44.021 6.912 1.00 45.95 ? ? ? ? ? ? 688 HOH E O 1 -HETATM 4639 O O . HOH M 5 . ? 60.733 33.245 7.305 1.00 55.00 ? ? ? ? ? ? 743 HOH E O 1 -HETATM 4640 O O . HOH M 5 . ? 77.556 43.536 6.417 1.00 53.41 ? ? ? ? ? ? 750 HOH E O 1 -HETATM 4641 O O . HOH M 5 . ? 74.125 33.302 1.512 1.00 55.00 ? ? ? ? ? ? 751 HOH E O 1 -HETATM 4642 O O . HOH M 5 . ? 58.691 40.778 -0.272 1.00 53.41 ? ? ? ? ? ? 754 HOH E O 1 -HETATM 4643 O O . HOH M 5 . ? 65.062 57.859 -15.430 1.00 51.71 ? ? ? ? ? ? 756 HOH E O 1 -HETATM 4644 O O . HOH N 5 . ? 39.601 51.800 -14.163 1.00 48.63 ? ? ? ? ? ? 491 HOH F O 1 -HETATM 4645 O O . HOH N 5 . ? 42.338 57.424 -18.088 1.00 30.52 ? ? ? ? ? ? 492 HOH F O 1 -HETATM 4646 O O . HOH N 5 . ? 40.611 68.254 -26.386 1.00 43.31 ? ? ? ? ? ? 494 HOH F O 1 -HETATM 4647 O O . HOH N 5 . ? 36.111 75.412 -28.364 1.00 44.29 ? ? ? ? ? ? 495 HOH F O 1 -HETATM 4648 O O . HOH N 5 . ? 38.325 74.842 -20.690 1.00 29.66 ? ? ? ? ? ? 496 HOH F O 1 -HETATM 4649 O O . HOH N 5 . ? 28.870 71.233 -37.894 1.00 27.70 ? ? ? ? ? ? 501 HOH F O 1 -HETATM 4650 O O . HOH N 5 . ? 20.912 72.874 -29.010 1.00 44.34 ? ? ? ? ? ? 503 HOH F O 1 -HETATM 4651 O O . HOH N 5 . ? 13.937 66.994 -20.653 1.00 23.17 ? ? ? ? ? ? 504 HOH F O 1 -HETATM 4652 O O . HOH N 5 . ? 10.104 59.707 -27.834 1.00 40.20 ? ? ? ? ? ? 507 HOH F O 1 -HETATM 4653 O O . HOH N 5 . ? 8.864 68.297 -31.113 1.00 39.94 ? ? ? ? ? ? 508 HOH F O 1 -HETATM 4654 O O . HOH N 5 . ? 7.068 68.916 -33.354 1.00 47.65 ? ? ? ? ? ? 509 HOH F O 1 -HETATM 4655 O O . HOH N 5 . ? 11.412 69.749 -31.428 1.00 17.90 ? ? ? ? ? ? 510 HOH F O 1 -HETATM 4656 O O . HOH N 5 . ? 40.640 65.256 -22.789 1.00 23.04 ? ? ? ? ? ? 513 HOH F O 1 -HETATM 4657 O O . HOH N 5 . ? 35.254 72.551 -20.118 1.00 55.00 ? ? ? ? ? ? 514 HOH F O 1 -HETATM 4658 O O . HOH N 5 . ? 51.575 55.673 -25.930 1.00 33.99 ? ? ? ? ? ? 522 HOH F O 1 -HETATM 4659 O O . HOH N 5 . ? 41.795 46.087 -19.656 1.00 38.63 ? ? ? ? ? ? 523 HOH F O 1 -HETATM 4660 O O . HOH N 5 . ? 15.802 70.478 -35.327 1.00 35.20 ? ? ? ? ? ? 526 HOH F O 1 -HETATM 4661 O O . HOH N 5 . ? 6.392 61.612 -26.066 1.00 23.72 ? ? ? ? ? ? 527 HOH F O 1 -HETATM 4662 O O . HOH N 5 . ? 29.124 79.776 -34.852 1.00 32.63 ? ? ? ? ? ? 528 HOH F O 1 -HETATM 4663 O O . HOH N 5 . ? 37.883 51.549 -24.595 1.00 54.07 ? ? ? ? ? ? 541 HOH F O 1 -HETATM 4664 O O . HOH N 5 . ? 34.835 50.547 -20.628 1.00 30.94 ? ? ? ? ? ? 542 HOH F O 1 -HETATM 4665 O O . HOH N 5 . ? 31.162 76.662 -22.119 1.00 55.00 ? ? ? ? ? ? 559 HOH F O 1 -HETATM 4666 O O . HOH N 5 . ? 31.060 70.006 -34.200 1.00 16.86 ? ? ? ? ? ? 560 HOH F O 1 -HETATM 4667 O O . HOH N 5 . ? 16.542 71.808 -32.219 1.00 21.10 ? ? ? ? ? ? 563 HOH F O 1 -HETATM 4668 O O . HOH N 5 . ? 14.867 68.245 -36.351 1.00 34.11 ? ? ? ? ? ? 564 HOH F O 1 -HETATM 4669 O O . HOH N 5 . ? 18.549 64.506 -40.441 1.00 32.89 ? ? ? ? ? ? 575 HOH F O 1 -HETATM 4670 O O . HOH N 5 . ? 45.887 44.599 -27.592 1.00 37.29 ? ? ? ? ? ? 589 HOH F O 1 -HETATM 4671 O O . HOH N 5 . ? 35.632 50.257 -23.883 1.00 50.89 ? ? ? ? ? ? 592 HOH F O 1 -HETATM 4672 O O . HOH N 5 . ? 22.784 72.471 -27.076 1.00 42.58 ? ? ? ? ? ? 596 HOH F O 1 -HETATM 4673 O O . HOH N 5 . ? 7.194 58.282 -22.777 1.00 48.95 ? ? ? ? ? ? 599 HOH F O 1 -HETATM 4674 O O . HOH N 5 . ? 2.172 75.065 -25.769 1.00 29.07 ? ? ? ? ? ? 602 HOH F O 1 -HETATM 4675 O O . HOH N 5 . ? 6.522 79.928 -16.010 1.00 25.22 ? ? ? ? ? ? 603 HOH F O 1 -HETATM 4676 O O . HOH N 5 . ? 43.025 43.992 -21.855 1.00 29.25 ? ? ? ? ? ? 608 HOH F O 1 -HETATM 4677 O O . HOH N 5 . ? 7.478 77.422 -10.240 1.00 18.53 ? ? ? ? ? ? 610 HOH F O 1 -HETATM 4678 O O . HOH N 5 . ? 17.066 57.430 -29.734 1.00 29.65 ? ? ? ? ? ? 613 HOH F O 1 -HETATM 4679 O O . HOH N 5 . ? 27.442 72.109 -25.068 1.00 16.67 ? ? ? ? ? ? 614 HOH F O 1 -HETATM 4680 O O . HOH N 5 . ? 29.667 73.505 -25.820 1.00 28.54 ? ? ? ? ? ? 615 HOH F O 1 -HETATM 4681 O O . HOH N 5 . ? 34.311 76.445 -23.875 1.00 49.17 ? ? ? ? ? ? 616 HOH F O 1 -HETATM 4682 O O . HOH N 5 . ? 40.192 64.519 -16.676 1.00 55.00 ? ? ? ? ? ? 627 HOH F O 1 -HETATM 4683 O O . HOH N 5 . ? 4.897 63.696 -25.327 1.00 38.66 ? ? ? ? ? ? 628 HOH F O 1 -HETATM 4684 O O . HOH N 5 . ? 13.729 70.695 -32.590 1.00 37.63 ? ? ? ? ? ? 629 HOH F O 1 -HETATM 4685 O O . HOH N 5 . ? 40.317 69.089 -23.974 1.00 54.97 ? ? ? ? ? ? 630 HOH F O 1 -HETATM 4686 O O . HOH N 5 . ? 31.852 69.051 -22.413 1.00 36.54 ? ? ? ? ? ? 632 HOH F O 1 -HETATM 4687 O O . HOH N 5 . ? 37.512 63.501 -14.722 1.00 25.25 ? ? ? ? ? ? 634 HOH F O 1 -HETATM 4688 O O . HOH N 5 . ? 25.176 68.661 -35.141 1.00 49.11 ? ? ? ? ? ? 637 HOH F O 1 -HETATM 4689 O O . HOH N 5 . ? 4.653 68.424 -33.675 1.00 22.79 ? ? ? ? ? ? 648 HOH F O 1 -HETATM 4690 O O . HOH N 5 . ? 4.431 77.755 -22.149 1.00 41.86 ? ? ? ? ? ? 649 HOH F O 1 -HETATM 4691 O O . HOH N 5 . ? 7.296 75.601 -12.699 1.00 33.31 ? ? ? ? ? ? 650 HOH F O 1 -HETATM 4692 O O . HOH N 5 . ? 6.998 71.561 -11.947 1.00 37.29 ? ? ? ? ? ? 651 HOH F O 1 -HETATM 4693 O O . HOH N 5 . ? 7.933 58.041 -25.945 1.00 30.99 ? ? ? ? ? ? 653 HOH F O 1 -HETATM 4694 O O . HOH N 5 . ? 13.763 61.040 -18.030 1.00 47.96 ? ? ? ? ? ? 658 HOH F O 1 -HETATM 4695 O O . HOH N 5 . ? 33.756 72.777 -22.367 1.00 46.41 ? ? ? ? ? ? 661 HOH F O 1 -HETATM 4696 O O . HOH N 5 . ? 54.464 46.698 -24.996 1.00 46.73 ? ? ? ? ? ? 662 HOH F O 1 -HETATM 4697 O O . HOH N 5 . ? 36.668 53.614 -22.756 1.00 41.75 ? ? ? ? ? ? 663 HOH F O 1 -HETATM 4698 O O . HOH N 5 . ? 7.813 79.582 -18.457 1.00 37.60 ? ? ? ? ? ? 670 HOH F O 1 -HETATM 4699 O O . HOH N 5 . ? 8.196 65.636 -13.058 1.00 54.25 ? ? ? ? ? ? 671 HOH F O 1 -HETATM 4700 O O . HOH N 5 . ? 9.648 63.288 -15.403 1.00 38.99 ? ? ? ? ? ? 673 HOH F O 1 -HETATM 4701 O O . HOH N 5 . ? 8.696 62.103 -24.916 1.00 50.52 ? ? ? ? ? ? 674 HOH F O 1 -HETATM 4702 O O . HOH N 5 . ? 14.733 66.217 -23.050 1.00 35.25 ? ? ? ? ? ? 675 HOH F O 1 -HETATM 4703 O O . HOH N 5 . ? 11.389 72.474 -31.016 1.00 46.75 ? ? ? ? ? ? 676 HOH F O 1 -HETATM 4704 O O . HOH N 5 . ? 12.114 58.988 -34.210 1.00 53.56 ? ? ? ? ? ? 678 HOH F O 1 -HETATM 4705 O O . HOH N 5 . ? 35.294 69.551 -30.893 1.00 45.99 ? ? ? ? ? ? 679 HOH F O 1 -HETATM 4706 O O . HOH N 5 . ? 41.412 63.169 -19.944 1.00 43.35 ? ? ? ? ? ? 681 HOH F O 1 -HETATM 4707 O O . HOH N 5 . ? 43.289 54.324 -18.513 1.00 55.00 ? ? ? ? ? ? 682 HOH F O 1 -HETATM 4708 O O . HOH N 5 . ? 9.751 71.706 -11.911 1.00 32.94 ? ? ? ? ? ? 689 HOH F O 1 -HETATM 4709 O O . HOH N 5 . ? 7.616 61.298 -20.989 1.00 38.13 ? ? ? ? ? ? 690 HOH F O 1 -HETATM 4710 O O . HOH N 5 . ? 2.925 75.398 -8.790 1.00 51.05 ? ? ? ? ? ? 691 HOH F O 1 -HETATM 4711 O O . HOH N 5 . ? 25.480 73.849 -27.535 1.00 49.54 ? ? ? ? ? ? 693 HOH F O 1 -HETATM 4712 O O . HOH N 5 . ? 9.405 78.692 -15.849 1.00 48.02 ? ? ? ? ? ? 703 HOH F O 1 -HETATM 4713 O O . HOH N 5 . ? 3.752 75.722 -12.148 1.00 54.69 ? ? ? ? ? ? 704 HOH F O 1 -HETATM 4714 O O . HOH N 5 . ? 38.687 69.451 -28.246 1.00 49.88 ? ? ? ? ? ? 711 HOH F O 1 -HETATM 4715 O O . HOH N 5 . ? 37.106 67.659 -32.437 1.00 39.11 ? ? ? ? ? ? 712 HOH F O 1 -HETATM 4716 O O . HOH N 5 . ? 20.319 73.578 -33.478 1.00 45.67 ? ? ? ? ? ? 716 HOH F O 1 -HETATM 4717 O O . HOH N 5 . ? 6.360 63.920 -15.465 1.00 52.65 ? ? ? ? ? ? 718 HOH F O 1 -HETATM 4718 O O . HOH N 5 . ? 26.865 78.212 -29.056 1.00 55.00 ? ? ? ? ? ? 748 HOH F O 1 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 DG 1 -5 -5 DG G C . n -A 1 2 DC 2 -4 -4 DC C C . n -A 1 3 DG 3 -3 -3 DG G C . n -A 1 4 DA 4 -2 -2 DA A C . n -A 1 5 DA 5 -1 -1 DA A C . n -A 1 6 DA 6 1 1 DA A C . n -A 1 7 DA 7 2 2 DA A C . n -A 1 8 DG 8 3 3 DG G C . n -A 1 9 DT 9 4 4 DT T C . n -A 1 10 DG 10 5 5 DG G C . n -A 1 11 DT 11 6 6 DT T C . n -A 1 12 DG 12 7 7 DG G C . n -A 1 13 DA 13 8 8 DA A C . n -A 1 14 DC 14 9 9 DC C C . n -B 2 1 DA 1 10 10 DA A D . n -B 2 2 DT 2 11 11 DT T D . n -B 2 3 DA 3 12 12 DA A D . n -B 2 4 DT 4 13 13 DT T D . n -B 2 5 DG 5 14 14 DG G D . n -B 2 6 DT 6 15 15 DT T D . n -B 2 7 DC 7 16 16 DC C D . n -B 2 8 DA 8 17 17 DA A D . n -B 2 9 DC 9 18 18 DC C D . n -B 2 10 DA 10 19 19 DA A D . n -B 2 11 DC 11 20 20 DC C D . n -B 2 12 DT 12 21 21 DT T D . n -B 2 13 DT 13 22 22 DT T D . n -B 2 14 DT 14 23 23 DT T D . n -B 2 15 DT 15 24 24 DT T D . n -B 2 16 DC 16 25 25 DC C D . n -B 2 17 DG 17 26 26 DG G D . n -C 1 1 DG 1 27 27 DG G E . n -C 1 2 DC 2 26 26 DC C E . n -C 1 3 DG 3 25 25 DG G E . n -C 1 4 DA 4 24 24 DA A E . n -C 1 5 DA 5 23 23 DA A E . n -C 1 6 DA 6 22 22 DA A E . n -C 1 7 DA 7 21 21 DA A E . n -C 1 8 DG 8 20 20 DG G E . n -C 1 9 DT 9 19 19 DT T E . n -C 1 10 DG 10 18 18 DG G E . n -C 1 11 DT 11 17 17 DT T E . n -C 1 12 DG 12 16 16 DG G E . n -C 1 13 DA 13 15 15 DA A E . n -C 1 14 DC 14 14 14 DC C E . n -D 2 1 DA 1 13 13 DA A F . n -D 2 2 DT 2 12 12 DT T F . n -D 2 3 DA 3 11 11 DA A F . n -D 2 4 DT 4 10 10 DT T F . n -D 2 5 DG 5 9 9 DG G F . n -D 2 6 DT 6 8 8 DT T F . n -D 2 7 DC 7 7 7 DC C F . n -D 2 8 DA 8 6 6 DA A F . n -D 2 9 DC 9 5 5 DC C F . n -D 2 10 DA 10 4 4 DA A F . n -D 2 11 DC 11 3 3 DC C F . n -D 2 12 DT 12 2 2 DT T F . n -D 2 13 DT 13 1 1 DT T F . n -D 2 14 DT 14 -1 -1 DT T F . n -D 2 15 DT 15 -2 -2 DT T F . n -D 2 16 DC 16 -3 -3 DC C F . n -D 2 17 DG 17 -4 -4 DG G F . n -E 3 1 VAL 1 1 ? ? ? A . n -E 3 2 LEU 2 2 ? ? ? A . n -E 3 3 GLY 3 3 ? ? ? A . n -E 3 4 LYS 4 4 ? ? ? A . n -E 3 5 PRO 5 5 ? ? ? A . n -E 3 6 GLN 6 6 ? ? ? A . n -E 3 7 THR 7 7 ? ? ? A . n -E 3 8 ASP 8 8 ? ? ? A . n -E 3 9 PRO 9 9 9 PRO PRO A . n -E 3 10 THR 10 10 10 THR THR A . n -E 3 11 LEU 11 11 11 LEU LEU A . n -E 3 12 GLU 12 12 12 GLU GLU A . n -E 3 13 TRP 13 13 13 TRP TRP A . n -E 3 14 PHE 14 14 14 PHE PHE A . n -E 3 15 LEU 15 15 15 LEU LEU A . n -E 3 16 SER 16 16 16 SER SER A . n -E 3 17 HIS 17 17 17 HIS HIS A . n -E 3 18 CYS 18 18 18 CYS CYS A . n -E 3 19 HIS 19 19 19 HIS HIS A . n -E 3 20 ILE 20 20 20 ILE ILE A . n -E 3 21 HIS 21 21 21 HIS HIS A . n -E 3 22 LYS 22 22 22 LYS LYS A . n -E 3 23 TYR 23 23 23 TYR TYR A . n -E 3 24 PRO 24 24 24 PRO PRO A . n -E 3 25 SER 25 25 25 SER SER A . n -E 3 26 LYS 26 26 26 LYS LYS A . n -E 3 27 SER 27 27 27 SER SER A . n -E 3 28 THR 28 28 28 THR THR A . n -E 3 29 LEU 29 29 29 LEU LEU A . n -E 3 30 ILE 30 30 30 ILE ILE A . n -E 3 31 HIS 31 31 31 HIS HIS A . n -E 3 32 GLN 32 32 32 GLN GLN A . n -E 3 33 GLY 33 33 33 GLY GLY A . n -E 3 34 GLU 34 34 34 GLU GLU A . n -E 3 35 LYS 35 35 35 LYS LYS A . n -E 3 36 ALA 36 36 36 ALA ALA A . n -E 3 37 GLU 37 37 37 GLU GLU A . n -E 3 38 THR 38 38 38 THR THR A . n -E 3 39 LEU 39 39 39 LEU LEU A . n -E 3 40 TYR 40 40 40 TYR TYR A . n -E 3 41 TYR 41 41 41 TYR TYR A . n -E 3 42 ILE 42 42 42 ILE ILE A . n -E 3 43 VAL 43 43 43 VAL VAL A . n -E 3 44 LYS 44 44 44 LYS LYS A . n -E 3 45 GLY 45 45 45 GLY GLY A . n -E 3 46 SER 46 46 46 SER SER A . n -E 3 47 VAL 47 47 47 VAL VAL A . n -E 3 48 ALA 48 48 48 ALA ALA A . n -E 3 49 VAL 49 49 49 VAL VAL A . n -E 3 50 LEU 50 50 50 LEU LEU A . n -E 3 51 ILE 51 51 51 ILE ILE A . n -E 3 52 LYS 52 52 52 LYS LYS A . n -E 3 53 ASP 53 53 53 ASP ASP A . n -E 3 54 GLU 54 54 54 GLU GLU A . n -E 3 55 GLU 55 55 55 GLU GLU A . n -E 3 56 GLY 56 56 56 GLY GLY A . n -E 3 57 LYS 57 57 57 LYS LYS A . n -E 3 58 GLU 58 58 58 GLU GLU A . n -E 3 59 MET 59 59 59 MET MET A . n -E 3 60 ILE 60 60 60 ILE ILE A . n -E 3 61 LEU 61 61 61 LEU LEU A . n -E 3 62 SER 62 62 62 SER SER A . n -E 3 63 TYR 63 63 63 TYR TYR A . n -E 3 64 LEU 64 64 64 LEU LEU A . n -E 3 65 ASN 65 65 65 ASN ASN A . n -E 3 66 GLN 66 66 66 GLN GLN A . n -E 3 67 GLY 67 67 67 GLY GLY A . n -E 3 68 ASP 68 68 68 ASP ASP A . n -E 3 69 PHE 69 69 69 PHE PHE A . n -E 3 70 ILE 70 70 70 ILE ILE A . n -E 3 71 GLY 71 71 71 GLY GLY A . n -E 3 72 GLU 72 72 72 GLU GLU A . n -E 3 73 LEU 73 73 73 LEU LEU A . n -E 3 74 GLY 74 74 74 GLY GLY A . n -E 3 75 LEU 75 75 75 LEU LEU A . n -E 3 76 PHE 76 76 76 PHE PHE A . n -E 3 77 GLU 77 77 77 GLU GLU A . n -E 3 78 GLU 78 78 78 GLU GLU A . n -E 3 79 GLY 79 79 79 GLY GLY A . n -E 3 80 GLN 80 80 80 GLN GLN A . n -E 3 81 GLU 81 81 81 GLU GLU A . n -E 3 82 ARG 82 82 82 ARG ARG A . n -E 3 83 SER 83 83 83 SER SER A . n -E 3 84 ALA 84 84 84 ALA ALA A . n -E 3 85 TRP 85 85 85 TRP TRP A . n -E 3 86 VAL 86 86 86 VAL VAL A . n -E 3 87 ARG 87 87 87 ARG ARG A . n -E 3 88 ALA 88 88 88 ALA ALA A . n -E 3 89 LYS 89 89 89 LYS LYS A . n -E 3 90 THR 90 90 90 THR THR A . n -E 3 91 ALA 91 91 91 ALA ALA A . n -E 3 92 CYS 92 92 92 CYS CYS A . n -E 3 93 GLU 93 93 93 GLU GLU A . n -E 3 94 VAL 94 94 94 VAL VAL A . n -E 3 95 ALA 95 95 95 ALA ALA A . n -E 3 96 GLU 96 96 96 GLU GLU A . n -E 3 97 ILE 97 97 97 ILE ILE A . n -E 3 98 SER 98 98 98 SER SER A . n -E 3 99 TYR 99 99 99 TYR TYR A . n -E 3 100 LYS 100 100 100 LYS LYS A . n -E 3 101 LYS 101 101 101 LYS LYS A . n -E 3 102 PHE 102 102 102 PHE PHE A . n -E 3 103 ARG 103 103 103 ARG ARG A . n -E 3 104 GLN 104 104 104 GLN GLN A . n -E 3 105 LEU 105 105 105 LEU LEU A . n -E 3 106 ILE 106 106 106 ILE ILE A . n -E 3 107 GLN 107 107 107 GLN GLN A . n -E 3 108 VAL 108 108 108 VAL VAL A . n -E 3 109 ASN 109 109 109 ASN ASN A . n -E 3 110 PRO 110 110 110 PRO PRO A . n -E 3 111 ASP 111 111 111 ASP ASP A . n -E 3 112 ILE 112 112 112 ILE ILE A . n -E 3 113 LEU 113 113 113 LEU LEU A . n -E 3 114 MET 114 114 114 MET MET A . n -E 3 115 ARG 115 115 115 ARG ARG A . n -E 3 116 LEU 116 116 116 LEU LEU A . n -E 3 117 SER 117 117 117 SER SER A . n -E 3 118 ALA 118 118 118 ALA ALA A . n -E 3 119 GLN 119 119 119 GLN GLN A . n -E 3 120 MET 120 120 120 MET MET A . n -E 3 121 ALA 121 121 121 ALA ALA A . n -E 3 122 ARG 122 122 122 ARG ARG A . n -E 3 123 ARG 123 123 123 ARG ARG A . n -E 3 124 LEU 124 124 124 LEU LEU A . n -E 3 125 GLN 125 125 125 GLN GLN A . n -E 3 126 VAL 126 126 126 VAL VAL A . n -E 3 127 THR 127 127 127 THR THR A . n -E 3 128 SER 128 128 128 SER SER A . n -E 3 129 GLU 129 129 129 GLU GLU A . n -E 3 130 LYS 130 130 130 LYS LYS A . n -E 3 131 VAL 131 131 131 VAL VAL A . n -E 3 132 GLY 132 132 132 GLY GLY A . n -E 3 133 ASN 133 133 133 ASN ASN A . n -E 3 134 LEU 134 134 134 LEU LEU A . n -E 3 135 ALA 135 135 135 ALA ALA A . n -E 3 136 PHE 136 136 136 PHE PHE A . n -E 3 137 LEU 137 137 137 LEU LEU A . n -E 3 138 ASP 138 138 138 ASP ASP A . n -E 3 139 VAL 139 139 139 VAL VAL A . n -E 3 140 THR 140 140 140 THR THR A . n -E 3 141 GLY 141 141 141 GLY GLY A . n -E 3 142 ARG 142 142 142 ARG ARG A . n -E 3 143 ILE 143 143 143 ILE ILE A . n -E 3 144 ALA 144 144 144 ALA ALA A . n -E 3 145 GLN 145 145 145 GLN GLN A . n -E 3 146 THR 146 146 146 THR THR A . n -E 3 147 LEU 147 147 147 LEU LEU A . n -E 3 148 LEU 148 148 148 LEU LEU A . n -E 3 149 ASN 149 149 149 ASN ASN A . n -E 3 150 LEU 150 150 150 LEU LEU A . n -E 3 151 ALA 151 151 151 ALA ALA A . n -E 3 152 LYS 152 152 152 LYS LYS A . n -E 3 153 GLN 153 153 153 GLN GLN A . n -E 3 154 PRO 154 154 154 PRO PRO A . n -E 3 155 ASP 155 155 155 ASP ASP A . n -E 3 156 ALA 156 156 156 ALA ALA A . n -E 3 157 MET 157 157 157 MET MET A . n -E 3 158 THR 158 158 158 THR THR A . n -E 3 159 HIS 159 159 159 HIS HIS A . n -E 3 160 PRO 160 160 160 PRO PRO A . n -E 3 161 ASP 161 161 161 ASP ASP A . n -E 3 162 GLY 162 162 162 GLY GLY A . n -E 3 163 MET 163 163 163 MET MET A . n -E 3 164 GLN 164 164 164 GLN GLN A . n -E 3 165 ILE 165 165 165 ILE ILE A . n -E 3 166 LYS 166 166 166 LYS LYS A . n -E 3 167 ILE 167 167 167 ILE ILE A . n -E 3 168 THR 168 168 168 THR THR A . n -E 3 169 ARG 169 169 169 ARG ARG A . n -E 3 170 GLN 170 170 170 GLN GLN A . n -E 3 171 GLU 171 171 171 GLU GLU A . n -E 3 172 ILE 172 172 172 ILE ILE A . n -E 3 173 GLY 173 173 173 GLY GLY A . n -E 3 174 GLN 174 174 174 GLN GLN A . n -E 3 175 ILE 175 175 175 ILE ILE A . n -E 3 176 VAL 176 176 176 VAL VAL A . n -E 3 177 GLY 177 177 177 GLY GLY A . n -E 3 178 CYS 178 178 178 CYS CYS A . n -E 3 179 SER 179 179 179 SER SER A . n -E 3 180 ARG 180 180 180 ARG ARG A . n -E 3 181 GLU 181 181 181 GLU GLU A . n -E 3 182 THR 182 182 182 THR THR A . n -E 3 183 VAL 183 183 183 VAL VAL A . n -E 3 184 GLY 184 184 184 GLY GLY A . n -E 3 185 ARG 185 185 185 ARG ARG A . n -E 3 186 ILE 186 186 186 ILE ILE A . n -E 3 187 LEU 187 187 187 LEU LEU A . n -E 3 188 LYS 188 188 188 LYS LYS A . n -E 3 189 MET 189 189 189 MET MET A . n -E 3 190 LEU 190 190 190 LEU LEU A . n -E 3 191 GLU 191 191 191 GLU GLU A . n -E 3 192 ASP 192 192 192 ASP ASP A . n -E 3 193 GLN 193 193 193 GLN GLN A . n -E 3 194 ASN 194 194 194 ASN ASN A . n -E 3 195 LEU 195 195 195 LEU LEU A . n -E 3 196 ILE 196 196 196 ILE ILE A . n -E 3 197 SER 197 197 197 SER SER A . n -E 3 198 ALA 198 198 198 ALA ALA A . n -E 3 199 HIS 199 199 199 HIS HIS A . n -E 3 200 GLY 200 200 200 GLY GLY A . n -E 3 201 LYS 201 201 201 LYS LYS A . n -E 3 202 THR 202 202 202 THR THR A . n -E 3 203 ILE 203 203 203 ILE ILE A . n -E 3 204 VAL 204 204 204 VAL VAL A . n -E 3 205 VAL 205 205 205 VAL VAL A . n -E 3 206 TYR 206 206 206 TYR TYR A . n -E 3 207 GLY 207 207 207 GLY GLY A . n -E 3 208 THR 208 208 ? ? ? A . n -E 3 209 ARG 209 209 ? ? ? A . n -F 3 1 VAL 1 1 ? ? ? B . n -F 3 2 LEU 2 2 ? ? ? B . n -F 3 3 GLY 3 3 ? ? ? B . n -F 3 4 LYS 4 4 ? ? ? B . n -F 3 5 PRO 5 5 ? ? ? B . n -F 3 6 GLN 6 6 ? ? ? B . n -F 3 7 THR 7 7 ? ? ? B . n -F 3 8 ASP 8 8 ? ? ? B . n -F 3 9 PRO 9 9 9 PRO PRO B . n -F 3 10 THR 10 10 10 THR THR B . n -F 3 11 LEU 11 11 11 LEU LEU B . n -F 3 12 GLU 12 12 12 GLU GLU B . n -F 3 13 TRP 13 13 13 TRP TRP B . n -F 3 14 PHE 14 14 14 PHE PHE B . n -F 3 15 LEU 15 15 15 LEU LEU B . n -F 3 16 SER 16 16 16 SER SER B . n -F 3 17 HIS 17 17 17 HIS HIS B . n -F 3 18 CYS 18 18 18 CYS CYS B . n -F 3 19 HIS 19 19 19 HIS HIS B . n -F 3 20 ILE 20 20 20 ILE ILE B . n -F 3 21 HIS 21 21 21 HIS HIS B . n -F 3 22 LYS 22 22 22 LYS LYS B . n -F 3 23 TYR 23 23 23 TYR TYR B . n -F 3 24 PRO 24 24 24 PRO PRO B . n -F 3 25 SER 25 25 25 SER SER B . n -F 3 26 LYS 26 26 26 LYS LYS B . n -F 3 27 SER 27 27 27 SER SER B . n -F 3 28 THR 28 28 28 THR THR B . n -F 3 29 LEU 29 29 29 LEU LEU B . n -F 3 30 ILE 30 30 30 ILE ILE B . n -F 3 31 HIS 31 31 31 HIS HIS B . n -F 3 32 GLN 32 32 32 GLN GLN B . n -F 3 33 GLY 33 33 33 GLY GLY B . n -F 3 34 GLU 34 34 34 GLU GLU B . n -F 3 35 LYS 35 35 35 LYS LYS B . n -F 3 36 ALA 36 36 36 ALA ALA B . n -F 3 37 GLU 37 37 37 GLU GLU B . n -F 3 38 THR 38 38 38 THR THR B . n -F 3 39 LEU 39 39 39 LEU LEU B . n -F 3 40 TYR 40 40 40 TYR TYR B . n -F 3 41 TYR 41 41 41 TYR TYR B . n -F 3 42 ILE 42 42 42 ILE ILE B . n -F 3 43 VAL 43 43 43 VAL VAL B . n -F 3 44 LYS 44 44 44 LYS LYS B . n -F 3 45 GLY 45 45 45 GLY GLY B . n -F 3 46 SER 46 46 46 SER SER B . n -F 3 47 VAL 47 47 47 VAL VAL B . n -F 3 48 ALA 48 48 48 ALA ALA B . n -F 3 49 VAL 49 49 49 VAL VAL B . n -F 3 50 LEU 50 50 50 LEU LEU B . n -F 3 51 ILE 51 51 51 ILE ILE B . n -F 3 52 LYS 52 52 52 LYS LYS B . n -F 3 53 ASP 53 53 53 ASP ASP B . n -F 3 54 GLU 54 54 54 GLU GLU B . n -F 3 55 GLU 55 55 55 GLU GLU B . n -F 3 56 GLY 56 56 56 GLY GLY B . n -F 3 57 LYS 57 57 57 LYS LYS B . n -F 3 58 GLU 58 58 58 GLU GLU B . n -F 3 59 MET 59 59 59 MET MET B . n -F 3 60 ILE 60 60 60 ILE ILE B . n -F 3 61 LEU 61 61 61 LEU LEU B . n -F 3 62 SER 62 62 62 SER SER B . n -F 3 63 TYR 63 63 63 TYR TYR B . n -F 3 64 LEU 64 64 64 LEU LEU B . n -F 3 65 ASN 65 65 65 ASN ASN B . n -F 3 66 GLN 66 66 66 GLN GLN B . n -F 3 67 GLY 67 67 67 GLY GLY B . n -F 3 68 ASP 68 68 68 ASP ASP B . n -F 3 69 PHE 69 69 69 PHE PHE B . n -F 3 70 ILE 70 70 70 ILE ILE B . n -F 3 71 GLY 71 71 71 GLY GLY B . n -F 3 72 GLU 72 72 72 GLU GLU B . n -F 3 73 LEU 73 73 73 LEU LEU B . n -F 3 74 GLY 74 74 74 GLY GLY B . n -F 3 75 LEU 75 75 75 LEU LEU B . n -F 3 76 PHE 76 76 76 PHE PHE B . n -F 3 77 GLU 77 77 77 GLU GLU B . n -F 3 78 GLU 78 78 78 GLU GLU B . n -F 3 79 GLY 79 79 79 GLY GLY B . n -F 3 80 GLN 80 80 80 GLN GLN B . n -F 3 81 GLU 81 81 81 GLU GLU B . n -F 3 82 ARG 82 82 82 ARG ARG B . n -F 3 83 SER 83 83 83 SER SER B . n -F 3 84 ALA 84 84 84 ALA ALA B . n -F 3 85 TRP 85 85 85 TRP TRP B . n -F 3 86 VAL 86 86 86 VAL VAL B . n -F 3 87 ARG 87 87 87 ARG ARG B . n -F 3 88 ALA 88 88 88 ALA ALA B . n -F 3 89 LYS 89 89 89 LYS LYS B . n -F 3 90 THR 90 90 90 THR THR B . n -F 3 91 ALA 91 91 91 ALA ALA B . n -F 3 92 CYS 92 92 92 CYS CYS B . n -F 3 93 GLU 93 93 93 GLU GLU B . n -F 3 94 VAL 94 94 94 VAL VAL B . n -F 3 95 ALA 95 95 95 ALA ALA B . n -F 3 96 GLU 96 96 96 GLU GLU B . n -F 3 97 ILE 97 97 97 ILE ILE B . n -F 3 98 SER 98 98 98 SER SER B . n -F 3 99 TYR 99 99 99 TYR TYR B . n -F 3 100 LYS 100 100 100 LYS LYS B . n -F 3 101 LYS 101 101 101 LYS LYS B . n -F 3 102 PHE 102 102 102 PHE PHE B . n -F 3 103 ARG 103 103 103 ARG ARG B . n -F 3 104 GLN 104 104 104 GLN GLN B . n -F 3 105 LEU 105 105 105 LEU LEU B . n -F 3 106 ILE 106 106 106 ILE ILE B . n -F 3 107 GLN 107 107 107 GLN GLN B . n -F 3 108 VAL 108 108 108 VAL VAL B . n -F 3 109 ASN 109 109 109 ASN ASN B . n -F 3 110 PRO 110 110 110 PRO PRO B . n -F 3 111 ASP 111 111 111 ASP ASP B . n -F 3 112 ILE 112 112 112 ILE ILE B . n -F 3 113 LEU 113 113 113 LEU LEU B . n -F 3 114 MET 114 114 114 MET MET B . n -F 3 115 ARG 115 115 115 ARG ARG B . n -F 3 116 LEU 116 116 116 LEU LEU B . n -F 3 117 SER 117 117 117 SER SER B . n -F 3 118 ALA 118 118 118 ALA ALA B . n -F 3 119 GLN 119 119 119 GLN GLN B . n -F 3 120 MET 120 120 120 MET MET B . n -F 3 121 ALA 121 121 121 ALA ALA B . n -F 3 122 ARG 122 122 122 ARG ARG B . n -F 3 123 ARG 123 123 123 ARG ARG B . n -F 3 124 LEU 124 124 124 LEU LEU B . n -F 3 125 GLN 125 125 125 GLN GLN B . n -F 3 126 VAL 126 126 126 VAL VAL B . n -F 3 127 THR 127 127 127 THR THR B . n -F 3 128 SER 128 128 128 SER SER B . n -F 3 129 GLU 129 129 129 GLU GLU B . n -F 3 130 LYS 130 130 130 LYS LYS B . n -F 3 131 VAL 131 131 131 VAL VAL B . n -F 3 132 GLY 132 132 132 GLY GLY B . n -F 3 133 ASN 133 133 133 ASN ASN B . n -F 3 134 LEU 134 134 134 LEU LEU B . n -F 3 135 ALA 135 135 135 ALA ALA B . n -F 3 136 PHE 136 136 136 PHE PHE B . n -F 3 137 LEU 137 137 137 LEU LEU B . n -F 3 138 ASP 138 138 138 ASP ASP B . n -F 3 139 VAL 139 139 139 VAL VAL B . n -F 3 140 THR 140 140 140 THR THR B . n -F 3 141 GLY 141 141 141 GLY GLY B . n -F 3 142 ARG 142 142 142 ARG ARG B . n -F 3 143 ILE 143 143 143 ILE ILE B . n -F 3 144 ALA 144 144 144 ALA ALA B . n -F 3 145 GLN 145 145 145 GLN GLN B . n -F 3 146 THR 146 146 146 THR THR B . n -F 3 147 LEU 147 147 147 LEU LEU B . n -F 3 148 LEU 148 148 148 LEU LEU B . n -F 3 149 ASN 149 149 149 ASN ASN B . n -F 3 150 LEU 150 150 150 LEU LEU B . n -F 3 151 ALA 151 151 151 ALA ALA B . n -F 3 152 LYS 152 152 152 LYS LYS B . n -F 3 153 GLN 153 153 153 GLN GLN B . n -F 3 154 PRO 154 154 154 PRO PRO B . n -F 3 155 ASP 155 155 155 ASP ASP B . n -F 3 156 ALA 156 156 156 ALA ALA B . n -F 3 157 MET 157 157 157 MET MET B . n -F 3 158 THR 158 158 158 THR THR B . n -F 3 159 HIS 159 159 159 HIS HIS B . n -F 3 160 PRO 160 160 160 PRO PRO B . n -F 3 161 ASP 161 161 161 ASP ASP B . n -F 3 162 GLY 162 162 162 GLY GLY B . n -F 3 163 MET 163 163 163 MET MET B . n -F 3 164 GLN 164 164 164 GLN GLN B . n -F 3 165 ILE 165 165 165 ILE ILE B . n -F 3 166 LYS 166 166 166 LYS LYS B . n -F 3 167 ILE 167 167 167 ILE ILE B . n -F 3 168 THR 168 168 168 THR THR B . n -F 3 169 ARG 169 169 169 ARG ARG B . n -F 3 170 GLN 170 170 170 GLN GLN B . n -F 3 171 GLU 171 171 171 GLU GLU B . n -F 3 172 ILE 172 172 172 ILE ILE B . n -F 3 173 GLY 173 173 173 GLY GLY B . n -F 3 174 GLN 174 174 174 GLN GLN B . n -F 3 175 ILE 175 175 175 ILE ILE B . n -F 3 176 VAL 176 176 176 VAL VAL B . n -F 3 177 GLY 177 177 177 GLY GLY B . n -F 3 178 CYS 178 178 178 CYS CYS B . n -F 3 179 SER 179 179 179 SER SER B . n -F 3 180 ARG 180 180 180 ARG ARG B . n -F 3 181 GLU 181 181 181 GLU GLU B . n -F 3 182 THR 182 182 182 THR THR B . n -F 3 183 VAL 183 183 183 VAL VAL B . n -F 3 184 GLY 184 184 184 GLY GLY B . n -F 3 185 ARG 185 185 185 ARG ARG B . n -F 3 186 ILE 186 186 186 ILE ILE B . n -F 3 187 LEU 187 187 187 LEU LEU B . n -F 3 188 LYS 188 188 188 LYS LYS B . n -F 3 189 MET 189 189 189 MET MET B . n -F 3 190 LEU 190 190 190 LEU LEU B . n -F 3 191 GLU 191 191 191 GLU GLU B . n -F 3 192 ASP 192 192 192 ASP ASP B . n -F 3 193 GLN 193 193 193 GLN GLN B . n -F 3 194 ASN 194 194 194 ASN ASN B . n -F 3 195 LEU 195 195 195 LEU LEU B . n -F 3 196 ILE 196 196 196 ILE ILE B . n -F 3 197 SER 197 197 197 SER SER B . n -F 3 198 ALA 198 198 198 ALA ALA B . n -F 3 199 HIS 199 199 199 HIS HIS B . n -F 3 200 GLY 200 200 200 GLY GLY B . n -F 3 201 LYS 201 201 201 LYS LYS B . n -F 3 202 THR 202 202 202 THR THR B . n -F 3 203 ILE 203 203 203 ILE ILE B . n -F 3 204 VAL 204 204 204 VAL VAL B . n -F 3 205 VAL 205 205 205 VAL VAL B . n -F 3 206 TYR 206 206 ? ? ? B . n -F 3 207 GLY 207 207 ? ? ? B . n -F 3 208 THR 208 208 ? ? ? B . n -F 3 209 ARG 209 209 ? ? ? B . n -# -loop_ -_software.name -_software.classification -_software.version -_software.citation_id -_software.pdbx_ordinal -PURDUE 'data collection' SOFTWARE ? 1 -X-PLOR refinement . ? 2 -# -loop_ -_pdbx_version.entry_id -_pdbx_version.revision_date -_pdbx_version.major_version -_pdbx_version.minor_version -_pdbx_version.details -1J59 2007-03-17 3 100 ? -1J59 2007-05-29 3 101 computing -1J59 2008-04-26 3 2 'compliance with PDB format V.3.15' -# -loop_ -_ndb_struct_conf_na.entry_id -_ndb_struct_conf_na.feature -1J59 'double helix' -1J59 'b-form double helix' -1J59 'mismatched base pair' -1J59 'triple helix' -# -loop_ -_ndb_struct_na_base_pair.model_number -_ndb_struct_na_base_pair.i_label_asym_id -_ndb_struct_na_base_pair.i_label_comp_id -_ndb_struct_na_base_pair.i_label_seq_id -_ndb_struct_na_base_pair.i_symmetry -_ndb_struct_na_base_pair.j_label_asym_id -_ndb_struct_na_base_pair.j_label_comp_id -_ndb_struct_na_base_pair.j_label_seq_id -_ndb_struct_na_base_pair.j_symmetry -_ndb_struct_na_base_pair.shear -_ndb_struct_na_base_pair.stretch -_ndb_struct_na_base_pair.stagger -_ndb_struct_na_base_pair.buckle -_ndb_struct_na_base_pair.opening -_ndb_struct_na_base_pair.pair_number -_ndb_struct_na_base_pair.pair_name -_ndb_struct_na_base_pair.i_auth_asym_id -_ndb_struct_na_base_pair.i_auth_seq_id -_ndb_struct_na_base_pair.i_PDB_ins_code -_ndb_struct_na_base_pair.j_auth_asym_id -_ndb_struct_na_base_pair.j_auth_seq_id -_ndb_struct_na_base_pair.j_PDB_ins_code -_ndb_struct_na_base_pair.hbond_type_28 -_ndb_struct_na_base_pair.hbond_type_12 -1 A DC 2 1_555 D DG 17 1_555 0.959 -0.396 -0.493 11.186 6.525 1 C_DC-4:DG-4_F C -4 ? F -4 ? 19 1 -1 A DG 3 1_555 D DC 16 1_555 -0.138 -0.324 0.408 9.213 -4.161 2 C_DG-3:DC-3_F C -3 ? F -3 ? 19 1 -1 A DA 4 1_555 D DT 15 1_555 0.387 -0.313 -0.847 2.019 3.953 3 C_DA-2:DT-2_F C -2 ? F -2 ? 20 1 -1 A DA 5 1_555 D DT 14 1_555 0.074 -0.048 0.167 -4.233 1.905 4 C_DA-1:DT-1_F C -1 ? F -1 ? 20 1 -1 A DA 6 1_555 D DT 13 1_555 0.158 -0.108 1.125 23.001 -1.582 5 C_DA1:DT1_F C 1 ? F 1 ? 20 1 -1 A DA 7 1_555 D DT 12 1_555 0.360 -0.394 0.987 1.770 1.497 6 C_DA2:DT2_F C 2 ? F 2 ? 20 1 -1 A DG 8 1_555 D DC 11 1_555 -0.618 -0.426 1.511 13.122 -1.694 7 C_DG3:DC3_F C 3 ? F 3 ? 19 1 -1 A DT 9 1_555 D DA 10 1_555 -0.353 0.246 -0.324 -19.725 0.203 8 C_DT4:DA4_F C 4 ? F 4 ? 20 1 -1 A DG 10 1_555 D DC 9 1_555 -0.228 -0.129 -0.356 -8.646 3.223 9 C_DG5:DC5_F C 5 ? F 5 ? 19 1 -1 A DT 11 1_555 D DA 8 1_555 0.301 -0.199 -0.195 24.970 -4.503 10 C_DT6:DA6_F C 6 ? F 6 ? 20 1 -1 A DG 12 1_555 D DC 7 1_555 -0.082 0.047 -0.633 -34.551 -5.059 11 C_DG7:DC7_F C 7 ? F 7 ? 19 1 -1 A DA 13 1_555 D DT 6 1_555 -0.388 0.035 -0.588 -20.881 5.176 12 C_DA8:DT8_F C 8 ? F 8 ? 20 1 -1 A DC 14 1_555 D DG 5 1_555 0.270 -0.061 0.089 5.911 -1.240 13 C_DC9:DG9_F C 9 ? F 9 ? 19 1 -1 B DA 1 1_555 D DT 4 1_555 0.055 -0.130 -0.376 -16.479 -2.575 14 D_DA10:DT10_F D 10 ? F 10 ? 20 1 -1 B DT 2 1_555 D DA 3 1_555 0.200 -0.048 -1.742 3.298 5.471 15 D_DT11:DA11_F D 11 ? F 11 ? 20 1 -1 B DA 3 1_555 D DT 2 1_555 -0.598 -0.483 0.912 8.843 -1.570 16 D_DA12:DT12_F D 12 ? F 12 ? 20 1 -1 B DT 4 1_555 D DA 1 1_555 0.168 0.408 -0.228 41.233 1.038 17 D_DT13:DA13_F D 13 ? F 13 ? 20 1 -1 B DG 5 1_555 C DC 14 1_555 0.893 0.142 -0.446 2.598 3.988 18 D_DG14:DC14_E D 14 ? E 14 ? 19 1 -1 B DT 6 1_555 C DA 13 1_555 -0.786 0.157 0.618 -1.507 3.511 19 D_DT15:DA15_E D 15 ? E 15 ? 20 1 -1 B DC 7 1_555 C DG 12 1_555 -0.025 -0.733 -1.467 14.197 14.071 20 D_DC16:DG16_E D 16 ? E 16 ? 19 1 -1 B DA 8 1_555 C DT 11 1_555 -0.696 -0.168 -0.879 -18.890 16.366 21 D_DA17:DT17_E D 17 ? E 17 ? 20 1 -1 B DC 9 1_555 C DG 10 1_555 0.214 0.051 0.271 -13.247 -6.026 22 D_DC18:DG18_E D 18 ? E 18 ? 19 1 -1 B DA 10 1_555 C DT 9 1_555 -0.033 0.136 0.177 27.600 -1.933 23 D_DA19:DT19_E D 19 ? E 19 ? 20 1 -1 B DC 11 1_555 C DG 8 1_555 1.377 -0.825 1.384 -10.968 8.620 24 D_DC20:DG20_E D 20 ? E 20 ? 19 1 -1 B DT 12 1_555 C DA 7 1_555 -0.477 -1.213 2.193 -16.792 -12.376 25 D_DT21:DA21_E D 21 ? E 21 ? 20 1 -1 B DT 13 1_555 C DA 6 1_555 -1.173 -0.360 1.044 -20.851 -5.047 26 D_DT22:DA22_E D 22 ? E 22 ? 20 1 -1 B DT 14 1_555 C DA 5 1_555 0.512 -0.176 -0.283 -9.335 -18.922 27 D_DT23:DA23_E D 23 ? E 23 ? 20 1 -1 B DT 15 1_555 C DA 4 1_555 0.047 -0.167 0.305 -32.202 -3.655 28 D_DT24:DA24_E D 24 ? E 24 ? 20 1 -1 B DC 16 1_555 C DG 3 1_555 0.597 0.294 -0.791 -3.812 4.709 29 D_DC25:DG25_E D 25 ? E 25 ? 19 1 -1 B DG 17 1_555 C DC 2 1_555 -1.341 -0.196 -0.038 -17.037 7.998 30 D_DG26:DC26_E D 26 ? E 26 ? 19 1 -# -loop_ -_ndb_struct_na_base_pair_step.model_number -_ndb_struct_na_base_pair_step.i_label_asym_id_1 -_ndb_struct_na_base_pair_step.i_label_comp_id_1 -_ndb_struct_na_base_pair_step.i_label_seq_id_1 -_ndb_struct_na_base_pair_step.i_symmetry_1 -_ndb_struct_na_base_pair_step.j_label_asym_id_1 -_ndb_struct_na_base_pair_step.j_label_comp_id_1 -_ndb_struct_na_base_pair_step.j_label_seq_id_1 -_ndb_struct_na_base_pair_step.j_symmetry_1 -_ndb_struct_na_base_pair_step.i_label_asym_id_2 -_ndb_struct_na_base_pair_step.i_label_comp_id_2 -_ndb_struct_na_base_pair_step.i_label_seq_id_2 -_ndb_struct_na_base_pair_step.i_symmetry_2 -_ndb_struct_na_base_pair_step.j_label_asym_id_2 -_ndb_struct_na_base_pair_step.j_label_comp_id_2 -_ndb_struct_na_base_pair_step.j_label_seq_id_2 -_ndb_struct_na_base_pair_step.j_symmetry_2 -_ndb_struct_na_base_pair_step.shift -_ndb_struct_na_base_pair_step.slide -_ndb_struct_na_base_pair_step.rise -_ndb_struct_na_base_pair_step.tilt -_ndb_struct_na_base_pair_step.roll -_ndb_struct_na_base_pair_step.twist -_ndb_struct_na_base_pair_step.x_displacement -_ndb_struct_na_base_pair_step.y_displacement -_ndb_struct_na_base_pair_step.helical_rise -_ndb_struct_na_base_pair_step.inclination -_ndb_struct_na_base_pair_step.tip -_ndb_struct_na_base_pair_step.helical_twist -_ndb_struct_na_base_pair_step.step_number -_ndb_struct_na_base_pair_step.step_name -_ndb_struct_na_base_pair_step.i_auth_asym_id_1 -_ndb_struct_na_base_pair_step.i_auth_seq_id_1 -_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 -_ndb_struct_na_base_pair_step.j_auth_asym_id_1 -_ndb_struct_na_base_pair_step.j_auth_seq_id_1 -_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 -_ndb_struct_na_base_pair_step.i_auth_asym_id_2 -_ndb_struct_na_base_pair_step.i_auth_seq_id_2 -_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 -_ndb_struct_na_base_pair_step.j_auth_asym_id_2 -_ndb_struct_na_base_pair_step.j_auth_seq_id_2 -_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 -1 A DC 2 1_555 D DG 17 1_555 A DG 3 1_555 D DC 16 1_555 0.713 1.285 3.555 0.428 5.114 24.783 1.256 -1.487 3.751 11.754 --0.984 25.300 1 CC_DC-4DG-3:DC-3DG-4_FF C -4 ? F -4 ? C -3 ? F -3 ? -1 A DG 3 1_555 D DC 16 1_555 A DA 4 1_555 D DT 15 1_555 -0.442 1.692 3.692 4.022 5.480 37.052 1.797 1.290 3.828 8.536 --6.264 37.649 2 CC_DG-3DA-2:DT-2DC-3_FF C -3 ? F -3 ? C -2 ? F -2 ? -1 A DA 4 1_555 D DT 15 1_555 A DA 5 1_555 D DT 14 1_555 -0.542 0.295 3.139 -8.262 8.329 36.304 -0.593 -0.206 3.173 12.958 -12.853 38.091 3 CC_DA-2DA-1:DT-1DT-2_FF C -2 ? F -2 ? C -1 ? F -1 ? -1 A DA 5 1_555 D DT 14 1_555 A DA 6 1_555 D DT 13 1_555 0.331 -0.503 2.585 -6.609 -20.957 40.498 0.859 -0.899 2.471 -27.935 -8.809 45.854 4 CC_DA-1DA1:DT1DT-1_FF C -1 ? F -1 ? C 1 ? F 1 ? -1 A DA 6 1_555 D DT 13 1_555 A DA 7 1_555 D DT 12 1_555 0.444 -0.621 3.743 1.937 -3.157 35.730 -0.486 -0.400 3.800 -5.128 --3.147 35.916 5 CC_DA1DA2:DT2DT1_FF C 1 ? F 1 ? C 2 ? F 2 ? -1 A DA 7 1_555 D DT 12 1_555 A DG 8 1_555 D DC 11 1_555 0.519 -1.083 2.803 4.749 -12.298 32.424 -0.074 -0.197 3.046 -20.974 --8.100 34.935 6 CC_DA2DG3:DC3DT2_FF C 2 ? F 2 ? C 3 ? F 3 ? -1 A DG 8 1_555 D DC 11 1_555 A DT 9 1_555 D DA 10 1_555 0.292 -0.699 4.074 13.642 14.503 33.716 -3.205 1.592 3.386 22.715 --21.366 39.008 7 CC_DG3DT4:DA4DC3_FF C 3 ? F 3 ? C 4 ? F 4 ? -1 A DT 9 1_555 D DA 10 1_555 A DG 10 1_555 D DC 9 1_555 0.274 1.942 3.240 4.502 -4.423 44.536 2.925 0.034 3.056 -5.801 --5.905 44.958 8 CC_DT4DG5:DC5DA4_FF C 4 ? F 4 ? C 5 ? F 5 ? -1 A DG 10 1_555 D DC 9 1_555 A DT 11 1_555 D DA 8 1_555 -0.056 0.814 2.392 -1.985 10.502 26.477 -0.218 -0.240 2.522 21.832 -4.127 28.518 9 CC_DG5DT6:DA6DC5_FF C 5 ? F 5 ? C 6 ? F 6 ? -1 A DT 11 1_555 D DA 8 1_555 A DG 12 1_555 D DC 7 1_555 -0.216 1.331 5.445 1.265 52.096 15.514 -5.267 0.401 2.878 74.546 --1.810 54.217 10 CC_DT6DG7:DC7DA6_FF C 6 ? F 6 ? C 7 ? F 7 ? -1 A DG 12 1_555 D DC 7 1_555 A DA 13 1_555 D DT 6 1_555 -1.233 2.145 3.040 -11.823 3.702 30.387 3.140 0.069 3.497 6.722 -21.468 32.761 11 CC_DG7DA8:DT8DC7_FF C 7 ? F 7 ? C 8 ? F 8 ? -1 A DA 13 1_555 D DT 6 1_555 A DC 14 1_555 D DG 5 1_555 -0.688 -0.334 2.725 -5.815 -6.450 34.663 0.258 0.399 2.815 -10.620 -9.575 35.702 12 CC_DA8DC9:DG9DT8_FF C 8 ? F 8 ? C 9 ? F 9 ? -1 A DC 14 1_555 D DG 5 1_555 B DA 1 1_555 D DT 4 1_555 0.895 -0.062 3.927 4.843 -5.932 36.550 0.860 -0.618 3.971 -9.332 --7.619 37.316 13 CD_DC9DA10:DT10DG9_FF C 9 ? F 9 ? D 10 ? F 10 ? -1 B DA 1 1_555 D DT 4 1_555 B DT 2 1_555 D DA 3 1_555 -0.019 0.665 2.898 11.618 14.649 31.185 -0.854 1.557 2.761 24.669 --19.565 36.240 14 DD_DA10DT11:DA11DT10_FF D 10 ? F 10 ? D 11 ? F 11 ? -1 B DT 2 1_555 D DA 3 1_555 B DA 3 1_555 D DT 2 1_555 -0.299 0.687 3.535 -21.133 -5.237 30.707 1.827 -2.594 2.983 -8.657 -34.936 37.490 15 DD_DT11DA12:DT12DA11_FF D 11 ? F 11 ? D 12 ? F 12 ? -1 B DA 3 1_555 D DT 2 1_555 B DT 4 1_555 D DA 1 1_555 0.517 -0.975 2.522 5.835 -7.715 33.619 -0.671 -0.140 2.722 -13.007 --9.838 34.944 16 DD_DA12DT13:DA13DT12_FF D 12 ? F 12 ? D 13 ? F 13 ? -1 B DT 4 1_555 D DA 1 1_555 B DG 5 1_555 C DC 14 1_555 0.684 -0.297 4.352 13.365 2.643 45.166 -0.668 0.638 4.353 3.352 --16.951 47.073 17 DD_DT13DG14:DC14DA13_EF D 13 ? F 13 ? D 14 ? E 14 ? -1 B DG 5 1_555 C DC 14 1_555 B DT 6 1_555 C DA 13 1_555 0.150 -0.320 3.191 -3.742 7.655 26.256 -2.465 -1.191 2.933 16.314 -7.974 27.580 18 DD_DG14DT15:DA15DC14_EE D 14 ? E 14 ? D 15 ? E 15 ? -1 B DT 6 1_555 C DA 13 1_555 B DC 7 1_555 C DG 12 1_555 -0.109 1.770 2.915 18.235 12.254 37.288 1.233 1.900 2.979 17.439 --25.950 43.080 19 DD_DT15DC16:DG16DA15_EE D 15 ? E 15 ? D 16 ? E 16 ? -1 B DC 7 1_555 C DG 12 1_555 B DA 8 1_555 C DT 11 1_555 -0.487 2.362 4.527 -6.131 34.504 10.320 -5.748 -0.914 3.609 72.956 -12.965 36.487 20 DD_DC16DA17:DT17DG16_EE D 16 ? E 16 ? D 17 ? E 17 ? -1 B DA 8 1_555 C DT 11 1_555 B DC 9 1_555 C DG 10 1_555 -0.512 0.307 3.516 -6.744 4.071 27.003 -0.421 -0.691 3.545 8.492 -14.068 28.109 21 DD_DA17DC18:DG18DT17_EE D 17 ? E 17 ? D 18 ? E 18 ? -1 B DC 9 1_555 C DG 10 1_555 B DA 10 1_555 C DT 9 1_555 0.330 1.362 2.440 -3.858 -3.109 39.351 2.272 -0.814 2.289 -4.595 -5.701 39.649 22 DD_DC18DA19:DT19DG18_EE D 18 ? E 18 ? D 19 ? E 19 ? -1 B DA 10 1_555 C DT 9 1_555 B DC 11 1_555 C DG 8 1_555 0.210 -1.409 4.371 -15.438 -3.744 43.945 -1.357 -2.014 4.177 -4.819 -19.874 46.594 23 DD_DA19DC20:DG20DT19_EE D 19 ? E 19 ? D 20 ? E 20 ? -1 B DC 11 1_555 C DG 8 1_555 B DT 12 1_555 C DA 7 1_555 -1.433 -1.191 3.216 -5.509 -10.275 21.862 0.709 1.476 3.650 -24.939 -13.372 24.743 24 DD_DC20DT21:DA21DG20_EE D 20 ? E 20 ? D 21 ? E 21 ? -1 B DT 12 1_555 C DA 7 1_555 B DT 13 1_555 C DA 6 1_555 0.145 -1.443 3.090 12.308 -5.232 35.279 -1.565 1.352 3.142 -8.275 --19.466 37.653 25 DD_DT21DT22:DA22DA21_EE D 21 ? E 21 ? D 22 ? E 22 ? -1 B DT 13 1_555 C DA 6 1_555 B DT 14 1_555 C DA 5 1_555 -0.585 -0.734 2.735 3.923 -15.327 48.995 0.064 0.909 2.782 -17.947 --4.593 51.336 26 DD_DT22DT23:DA23DA22_EE D 22 ? E 22 ? D 23 ? E 23 ? -1 B DT 14 1_555 C DA 5 1_555 B DT 15 1_555 C DA 4 1_555 0.384 -0.448 3.551 3.610 1.575 36.573 -0.944 -0.074 3.550 2.501 --5.733 36.777 27 DD_DT23DT24:DA24DA23_EE D 23 ? E 23 ? D 24 ? E 24 ? -1 B DT 15 1_555 C DA 4 1_555 B DC 16 1_555 C DG 3 1_555 1.387 0.494 3.065 8.399 8.863 29.875 -0.716 -0.978 3.333 16.358 --15.501 32.221 28 DD_DT24DC25:DG25DA24_EE D 24 ? E 24 ? D 25 ? E 25 ? -1 B DC 16 1_555 C DG 3 1_555 B DG 17 1_555 C DC 2 1_555 -1.377 1.456 3.592 -12.619 11.507 22.557 -0.525 -1.025 4.075 25.276 -27.720 28.226 29 DD_DC25DG26:DC26DG25_EE D 25 ? E 25 ? D 26 ? E 26 ? -# -loop_ -_pdbx_unobs_or_zero_occ_residues.id -_pdbx_unobs_or_zero_occ_residues.polymer_flag -_pdbx_unobs_or_zero_occ_residues.occupancy_flag -_pdbx_unobs_or_zero_occ_residues.PDB_model_num -_pdbx_unobs_or_zero_occ_residues.auth_asym_id -_pdbx_unobs_or_zero_occ_residues.auth_comp_id -_pdbx_unobs_or_zero_occ_residues.auth_seq_id -_pdbx_unobs_or_zero_occ_residues.PDB_ins_code -1 Y 1 1 A VAL 1 ? -2 Y 1 1 A LEU 2 ? -3 Y 1 1 A GLY 3 ? -4 Y 1 1 A LYS 4 ? -5 Y 1 1 A PRO 5 ? -6 Y 1 1 A GLN 6 ? -7 Y 1 1 A THR 7 ? -8 Y 1 1 A ASP 8 ? -9 Y 1 1 A THR 208 ? -10 Y 1 1 A ARG 209 ? -11 Y 1 1 B VAL 1 ? -12 Y 1 1 B LEU 2 ? -13 Y 1 1 B GLY 3 ? -14 Y 1 1 B LYS 4 ? -15 Y 1 1 B PRO 5 ? -16 Y 1 1 B GLN 6 ? -17 Y 1 1 B THR 7 ? -18 Y 1 1 B ASP 8 ? -19 Y 1 1 B TYR 206 ? -20 Y 1 1 B GLY 207 ? -21 Y 1 1 B THR 208 ? -22 Y 1 1 B ARG 209 ? -# -loop_ -_pdbx_unobs_or_zero_occ_atoms.id -_pdbx_unobs_or_zero_occ_atoms.polymer_flag -_pdbx_unobs_or_zero_occ_atoms.occupancy_flag -_pdbx_unobs_or_zero_occ_atoms.PDB_model_num -_pdbx_unobs_or_zero_occ_atoms.auth_asym_id -_pdbx_unobs_or_zero_occ_atoms.auth_comp_id -_pdbx_unobs_or_zero_occ_atoms.auth_seq_id -_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code -_pdbx_unobs_or_zero_occ_atoms.auth_atom_id -_pdbx_unobs_or_zero_occ_atoms.label_alt_id -1 N 1 1 B CMP 761 ? "O2'" ? -2 N 1 1 A CMP 762 ? "O2'" ? -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details hexameric -_pdbx_struct_assembly.oligomeric_count 6 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,K,B,L,C,M,D,N,E,H,I,F,G,J -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 -_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 -_pdbx_struct_oper_list.vector[1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 -_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 -_pdbx_struct_oper_list.vector[2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 -_pdbx_struct_oper_list.vector[3] 0.0000000000 -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -G 4 CMP 1 761 761 CMP CMP B . -H 4 CMP 1 762 762 CMP CMP A . -I 5 HOH 1 611 611 HOH HOH A . -I 5 HOH 2 654 654 HOH HOH A . -I 5 HOH 3 657 657 HOH HOH A . -I 5 HOH 4 705 705 HOH HOH A . -I 5 HOH 5 717 717 HOH HOH A . -I 5 HOH 6 719 719 HOH HOH A . -I 5 HOH 7 720 720 HOH HOH A . -I 5 HOH 8 721 721 HOH HOH A . -I 5 HOH 9 722 722 HOH HOH A . -I 5 HOH 10 723 723 HOH HOH A . -I 5 HOH 11 725 725 HOH HOH A . -I 5 HOH 12 726 726 HOH HOH A . -I 5 HOH 13 734 734 HOH HOH A . -I 5 HOH 14 735 735 HOH HOH A . -I 5 HOH 15 736 736 HOH HOH A . -I 5 HOH 16 737 737 HOH HOH A . -I 5 HOH 17 738 738 HOH HOH A . -I 5 HOH 18 744 744 HOH HOH A . -I 5 HOH 19 745 745 HOH HOH A . -I 5 HOH 20 746 746 HOH HOH A . -I 5 HOH 21 747 747 HOH HOH A . -J 5 HOH 1 532 532 HOH HOH B . -J 5 HOH 2 555 555 HOH HOH B . -J 5 HOH 3 638 638 HOH HOH B . -J 5 HOH 4 664 664 HOH HOH B . -J 5 HOH 5 665 665 HOH HOH B . -J 5 HOH 6 680 680 HOH HOH B . -J 5 HOH 7 694 694 HOH HOH B . -J 5 HOH 8 698 698 HOH HOH B . -J 5 HOH 9 727 727 HOH HOH B . -J 5 HOH 10 728 728 HOH HOH B . -J 5 HOH 11 729 729 HOH HOH B . -J 5 HOH 12 730 730 HOH HOH B . -J 5 HOH 13 731 731 HOH HOH B . -J 5 HOH 14 732 732 HOH HOH B . -J 5 HOH 15 733 733 HOH HOH B . -J 5 HOH 16 739 739 HOH HOH B . -J 5 HOH 17 740 740 HOH HOH B . -J 5 HOH 18 741 741 HOH HOH B . -J 5 HOH 19 757 757 HOH HOH B . -J 5 HOH 20 758 758 HOH HOH B . -J 5 HOH 21 759 759 HOH HOH B . -J 5 HOH 22 760 760 HOH HOH B . -K 5 HOH 1 497 497 HOH HOH C . -K 5 HOH 2 498 498 HOH HOH C . -K 5 HOH 3 499 499 HOH HOH C . -K 5 HOH 4 500 500 HOH HOH C . -K 5 HOH 5 502 502 HOH HOH C . -K 5 HOH 6 505 505 HOH HOH C . -K 5 HOH 7 506 506 HOH HOH C . -K 5 HOH 8 511 511 HOH HOH C . -K 5 HOH 9 545 545 HOH HOH C . -K 5 HOH 10 546 546 HOH HOH C . -K 5 HOH 11 561 561 HOH HOH C . -K 5 HOH 12 562 562 HOH HOH C . -K 5 HOH 13 565 565 HOH HOH C . -K 5 HOH 14 568 568 HOH HOH C . -K 5 HOH 15 569 569 HOH HOH C . -K 5 HOH 16 572 572 HOH HOH C . -K 5 HOH 17 573 573 HOH HOH C . -K 5 HOH 18 574 574 HOH HOH C . -K 5 HOH 19 576 576 HOH HOH C . -K 5 HOH 20 593 593 HOH HOH C . -K 5 HOH 21 594 594 HOH HOH C . -K 5 HOH 22 595 595 HOH HOH C . -K 5 HOH 23 597 597 HOH HOH C . -K 5 HOH 24 598 598 HOH HOH C . -K 5 HOH 25 600 600 HOH HOH C . -K 5 HOH 26 609 609 HOH HOH C . -K 5 HOH 27 612 612 HOH HOH C . -K 5 HOH 28 631 631 HOH HOH C . -K 5 HOH 29 635 635 HOH HOH C . -K 5 HOH 30 636 636 HOH HOH C . -K 5 HOH 31 645 645 HOH HOH C . -K 5 HOH 32 652 652 HOH HOH C . -K 5 HOH 33 655 655 HOH HOH C . -K 5 HOH 34 656 656 HOH HOH C . -K 5 HOH 35 659 659 HOH HOH C . -K 5 HOH 36 660 660 HOH HOH C . -K 5 HOH 37 672 672 HOH HOH C . -K 5 HOH 38 677 677 HOH HOH C . -K 5 HOH 39 692 692 HOH HOH C . -K 5 HOH 40 699 699 HOH HOH C . -K 5 HOH 41 700 700 HOH HOH C . -K 5 HOH 42 701 701 HOH HOH C . -K 5 HOH 43 702 702 HOH HOH C . -K 5 HOH 44 706 706 HOH HOH C . -K 5 HOH 45 707 707 HOH HOH C . -K 5 HOH 46 708 708 HOH HOH C . -K 5 HOH 47 709 709 HOH HOH C . -K 5 HOH 48 710 710 HOH HOH C . -K 5 HOH 49 715 715 HOH HOH C . -K 5 HOH 50 724 724 HOH HOH C . -L 5 HOH 1 475 475 HOH HOH D . -L 5 HOH 2 476 476 HOH HOH D . -L 5 HOH 3 477 477 HOH HOH D . -L 5 HOH 4 478 478 HOH HOH D . -L 5 HOH 5 479 479 HOH HOH D . -L 5 HOH 6 480 480 HOH HOH D . -L 5 HOH 7 481 481 HOH HOH D . -L 5 HOH 8 482 482 HOH HOH D . -L 5 HOH 9 485 485 HOH HOH D . -L 5 HOH 10 486 486 HOH HOH D . -L 5 HOH 11 489 489 HOH HOH D . -L 5 HOH 12 490 490 HOH HOH D . -L 5 HOH 13 493 493 HOH HOH D . -L 5 HOH 14 512 512 HOH HOH D . -L 5 HOH 15 517 517 HOH HOH D . -L 5 HOH 16 518 518 HOH HOH D . -L 5 HOH 17 524 524 HOH HOH D . -L 5 HOH 18 525 525 HOH HOH D . -L 5 HOH 19 529 529 HOH HOH D . -L 5 HOH 20 530 530 HOH HOH D . -L 5 HOH 21 533 533 HOH HOH D . -L 5 HOH 22 534 534 HOH HOH D . -L 5 HOH 23 535 535 HOH HOH D . -L 5 HOH 24 538 538 HOH HOH D . -L 5 HOH 25 539 539 HOH HOH D . -L 5 HOH 26 540 540 HOH HOH D . -L 5 HOH 27 547 547 HOH HOH D . -L 5 HOH 28 548 548 HOH HOH D . -L 5 HOH 29 549 549 HOH HOH D . -L 5 HOH 30 550 550 HOH HOH D . -L 5 HOH 31 551 551 HOH HOH D . -L 5 HOH 32 552 552 HOH HOH D . -L 5 HOH 33 553 553 HOH HOH D . -L 5 HOH 34 554 554 HOH HOH D . -L 5 HOH 35 556 556 HOH HOH D . -L 5 HOH 36 557 557 HOH HOH D . -L 5 HOH 37 558 558 HOH HOH D . -L 5 HOH 38 567 567 HOH HOH D . -L 5 HOH 39 582 582 HOH HOH D . -L 5 HOH 40 584 584 HOH HOH D . -L 5 HOH 41 585 585 HOH HOH D . -L 5 HOH 42 586 586 HOH HOH D . -L 5 HOH 43 587 587 HOH HOH D . -L 5 HOH 44 588 588 HOH HOH D . -L 5 HOH 45 591 591 HOH HOH D . -L 5 HOH 46 601 601 HOH HOH D . -L 5 HOH 47 607 607 HOH HOH D . -L 5 HOH 48 617 617 HOH HOH D . -L 5 HOH 49 621 621 HOH HOH D . -L 5 HOH 50 622 622 HOH HOH D . -L 5 HOH 51 624 624 HOH HOH D . -L 5 HOH 52 626 626 HOH HOH D . -L 5 HOH 53 633 633 HOH HOH D . -L 5 HOH 54 642 642 HOH HOH D . -L 5 HOH 55 643 643 HOH HOH D . -L 5 HOH 56 644 644 HOH HOH D . -L 5 HOH 57 666 666 HOH HOH D . -L 5 HOH 58 667 667 HOH HOH D . -L 5 HOH 59 668 668 HOH HOH D . -L 5 HOH 60 669 669 HOH HOH D . -L 5 HOH 61 683 683 HOH HOH D . -L 5 HOH 62 695 695 HOH HOH D . -L 5 HOH 63 696 696 HOH HOH D . -L 5 HOH 64 697 697 HOH HOH D . -L 5 HOH 65 713 713 HOH HOH D . -L 5 HOH 66 714 714 HOH HOH D . -L 5 HOH 67 742 742 HOH HOH D . -L 5 HOH 68 749 749 HOH HOH D . -L 5 HOH 69 752 752 HOH HOH D . -L 5 HOH 70 753 753 HOH HOH D . -L 5 HOH 71 755 755 HOH HOH D . -M 5 HOH 1 483 483 HOH HOH E . -M 5 HOH 2 484 484 HOH HOH E . -M 5 HOH 3 487 487 HOH HOH E . -M 5 HOH 4 488 488 HOH HOH E . -M 5 HOH 5 515 515 HOH HOH E . -M 5 HOH 6 516 516 HOH HOH E . -M 5 HOH 7 519 519 HOH HOH E . -M 5 HOH 8 520 520 HOH HOH E . -M 5 HOH 9 521 521 HOH HOH E . -M 5 HOH 10 531 531 HOH HOH E . -M 5 HOH 11 536 536 HOH HOH E . -M 5 HOH 12 537 537 HOH HOH E . -M 5 HOH 13 543 543 HOH HOH E . -M 5 HOH 14 544 544 HOH HOH E . -M 5 HOH 15 566 566 HOH HOH E . -M 5 HOH 16 570 570 HOH HOH E . -M 5 HOH 17 571 571 HOH HOH E . -M 5 HOH 18 577 577 HOH HOH E . -M 5 HOH 19 578 578 HOH HOH E . -M 5 HOH 20 579 579 HOH HOH E . -M 5 HOH 21 580 580 HOH HOH E . -M 5 HOH 22 581 581 HOH HOH E . -M 5 HOH 23 583 583 HOH HOH E . -M 5 HOH 24 590 590 HOH HOH E . -M 5 HOH 25 604 604 HOH HOH E . -M 5 HOH 26 605 605 HOH HOH E . -M 5 HOH 27 606 606 HOH HOH E . -M 5 HOH 28 618 618 HOH HOH E . -M 5 HOH 29 619 619 HOH HOH E . -M 5 HOH 30 620 620 HOH HOH E . -M 5 HOH 31 623 623 HOH HOH E . -M 5 HOH 32 625 625 HOH HOH E . -M 5 HOH 33 639 639 HOH HOH E . -M 5 HOH 34 640 640 HOH HOH E . -M 5 HOH 35 641 641 HOH HOH E . -M 5 HOH 36 646 646 HOH HOH E . -M 5 HOH 37 647 647 HOH HOH E . -M 5 HOH 38 684 684 HOH HOH E . -M 5 HOH 39 685 685 HOH HOH E . -M 5 HOH 40 686 686 HOH HOH E . -M 5 HOH 41 687 687 HOH HOH E . -M 5 HOH 42 688 688 HOH HOH E . -M 5 HOH 43 743 743 HOH HOH E . -M 5 HOH 44 750 750 HOH HOH E . -M 5 HOH 45 751 751 HOH HOH E . -M 5 HOH 46 754 754 HOH HOH E . -M 5 HOH 47 756 756 HOH HOH E . -N 5 HOH 1 491 491 HOH HOH F . -N 5 HOH 2 492 492 HOH HOH F . -N 5 HOH 3 494 494 HOH HOH F . -N 5 HOH 4 495 495 HOH HOH F . -N 5 HOH 5 496 496 HOH HOH F . -N 5 HOH 6 501 501 HOH HOH F . -N 5 HOH 7 503 503 HOH HOH F . -N 5 HOH 8 504 504 HOH HOH F . -N 5 HOH 9 507 507 HOH HOH F . -N 5 HOH 10 508 508 HOH HOH F . -N 5 HOH 11 509 509 HOH HOH F . -N 5 HOH 12 510 510 HOH HOH F . -N 5 HOH 13 513 513 HOH HOH F . -N 5 HOH 14 514 514 HOH HOH F . -N 5 HOH 15 522 522 HOH HOH F . -N 5 HOH 16 523 523 HOH HOH F . -N 5 HOH 17 526 526 HOH HOH F . -N 5 HOH 18 527 527 HOH HOH F . -N 5 HOH 19 528 528 HOH HOH F . -N 5 HOH 20 541 541 HOH HOH F . -N 5 HOH 21 542 542 HOH HOH F . -N 5 HOH 22 559 559 HOH HOH F . -N 5 HOH 23 560 560 HOH HOH F . -N 5 HOH 24 563 563 HOH HOH F . -N 5 HOH 25 564 564 HOH HOH F . -N 5 HOH 26 575 575 HOH HOH F . -N 5 HOH 27 589 589 HOH HOH F . -N 5 HOH 28 592 592 HOH HOH F . -N 5 HOH 29 596 596 HOH HOH F . -N 5 HOH 30 599 599 HOH HOH F . -N 5 HOH 31 602 602 HOH HOH F . -N 5 HOH 32 603 603 HOH HOH F . -N 5 HOH 33 608 608 HOH HOH F . -N 5 HOH 34 610 610 HOH HOH F . -N 5 HOH 35 613 613 HOH HOH F . -N 5 HOH 36 614 614 HOH HOH F . -N 5 HOH 37 615 615 HOH HOH F . -N 5 HOH 38 616 616 HOH HOH F . -N 5 HOH 39 627 627 HOH HOH F . -N 5 HOH 40 628 628 HOH HOH F . -N 5 HOH 41 629 629 HOH HOH F . -N 5 HOH 42 630 630 HOH HOH F . -N 5 HOH 43 632 632 HOH HOH F . -N 5 HOH 44 634 634 HOH HOH F . -N 5 HOH 45 637 637 HOH HOH F . -N 5 HOH 46 648 648 HOH HOH F . -N 5 HOH 47 649 649 HOH HOH F . -N 5 HOH 48 650 650 HOH HOH F . -N 5 HOH 49 651 651 HOH HOH F . -N 5 HOH 50 653 653 HOH HOH F . -N 5 HOH 51 658 658 HOH HOH F . -N 5 HOH 52 661 661 HOH HOH F . -N 5 HOH 53 662 662 HOH HOH F . -N 5 HOH 54 663 663 HOH HOH F . -N 5 HOH 55 670 670 HOH HOH F . -N 5 HOH 56 671 671 HOH HOH F . -N 5 HOH 57 673 673 HOH HOH F . -N 5 HOH 58 674 674 HOH HOH F . -N 5 HOH 59 675 675 HOH HOH F . -N 5 HOH 60 676 676 HOH HOH F . -N 5 HOH 61 678 678 HOH HOH F . -N 5 HOH 62 679 679 HOH HOH F . -N 5 HOH 63 681 681 HOH HOH F . -N 5 HOH 64 682 682 HOH HOH F . -N 5 HOH 65 689 689 HOH HOH F . -N 5 HOH 66 690 690 HOH HOH F . -N 5 HOH 67 691 691 HOH HOH F . -N 5 HOH 68 693 693 HOH HOH F . -N 5 HOH 69 703 703 HOH HOH F . -N 5 HOH 70 704 704 HOH HOH F . -N 5 HOH 71 711 711 HOH HOH F . -N 5 HOH 72 712 712 HOH HOH F . -N 5 HOH 73 716 716 HOH HOH F . -N 5 HOH 74 718 718 HOH HOH F . -N 5 HOH 75 748 748 HOH HOH F . -# -loop_ -_pdbx_validate_close_contact.id -_pdbx_validate_close_contact.PDB_model_num -_pdbx_validate_close_contact.auth_atom_id_1 -_pdbx_validate_close_contact.auth_asym_id_1 -_pdbx_validate_close_contact.auth_comp_id_1 -_pdbx_validate_close_contact.auth_seq_id_1 -_pdbx_validate_close_contact.PDB_ins_code_1 -_pdbx_validate_close_contact.label_alt_id_1 -_pdbx_validate_close_contact.auth_atom_id_2 -_pdbx_validate_close_contact.auth_asym_id_2 -_pdbx_validate_close_contact.auth_comp_id_2 -_pdbx_validate_close_contact.auth_seq_id_2 -_pdbx_validate_close_contact.PDB_ins_code_2 -_pdbx_validate_close_contact.label_alt_id_2 -_pdbx_validate_close_contact.dist -1 1 N A LYS 166 ? ? O A HOH 720 ? ? 1.97 -2 1 CA B GLY 200 ? ? O B HOH 532 ? ? 2.00 -3 1 C A ILE 165 ? ? O A HOH 720 ? ? 2.07 -# -loop_ -_pdbx_validate_rmsd_bond.id -_pdbx_validate_rmsd_bond.PDB_model_num -_pdbx_validate_rmsd_bond.auth_atom_id_1 -_pdbx_validate_rmsd_bond.auth_asym_id_1 -_pdbx_validate_rmsd_bond.auth_comp_id_1 -_pdbx_validate_rmsd_bond.auth_seq_id_1 -_pdbx_validate_rmsd_bond.PDB_ins_code_1 -_pdbx_validate_rmsd_bond.label_alt_id_1 -_pdbx_validate_rmsd_bond.auth_atom_id_2 -_pdbx_validate_rmsd_bond.auth_asym_id_2 -_pdbx_validate_rmsd_bond.auth_comp_id_2 -_pdbx_validate_rmsd_bond.auth_seq_id_2 -_pdbx_validate_rmsd_bond.PDB_ins_code_2 -_pdbx_validate_rmsd_bond.label_alt_id_2 -_pdbx_validate_rmsd_bond.bond_deviation -1 1 C6 C DG 3 ? ? O6 C DG 3 ? ? 0.056 -2 1 C4 F DT 1 ? ? C5 F DT 1 ? ? 0.056 -# -loop_ -_pdbx_validate_rmsd_angle.id -_pdbx_validate_rmsd_angle.PDB_model_num -_pdbx_validate_rmsd_angle.auth_atom_id_1 -_pdbx_validate_rmsd_angle.auth_asym_id_1 -_pdbx_validate_rmsd_angle.auth_comp_id_1 -_pdbx_validate_rmsd_angle.auth_seq_id_1 -_pdbx_validate_rmsd_angle.PDB_ins_code_1 -_pdbx_validate_rmsd_angle.label_alt_id_1 -_pdbx_validate_rmsd_angle.auth_atom_id_2 -_pdbx_validate_rmsd_angle.auth_asym_id_2 -_pdbx_validate_rmsd_angle.auth_comp_id_2 -_pdbx_validate_rmsd_angle.auth_seq_id_2 -_pdbx_validate_rmsd_angle.PDB_ins_code_2 -_pdbx_validate_rmsd_angle.label_alt_id_2 -_pdbx_validate_rmsd_angle.auth_atom_id_3 -_pdbx_validate_rmsd_angle.auth_asym_id_3 -_pdbx_validate_rmsd_angle.auth_comp_id_3 -_pdbx_validate_rmsd_angle.auth_seq_id_3 -_pdbx_validate_rmsd_angle.PDB_ins_code_3 -_pdbx_validate_rmsd_angle.label_alt_id_3 -_pdbx_validate_rmsd_angle.angle_deviation -1 1 "O3'" C DA 2 ? ? P C DG 3 ? ? OP2 C DG 3 ? ? 7.2 -2 1 "O5'" C DT 4 ? ? P C DT 4 ? ? OP2 C DT 4 ? ? -5.5 -3 1 "O3'" C DG 3 ? ? P C DT 4 ? ? OP2 C DT 4 ? ? 8.2 -4 1 "O3'" C DT 4 ? ? P C DG 5 ? ? OP2 C DG 5 ? ? 9.8 -5 1 "O3'" D DT 13 ? ? P D DG 14 ? ? OP2 D DG 14 ? ? 6.9 -6 1 "O3'" D DG 14 ? ? P D DT 15 ? ? OP2 D DT 15 ? ? 8.9 -7 1 "C5'" D DT 22 ? ? "C4'" D DT 22 ? ? "C3'" D DT 22 ? ? 10.3 -8 1 "O5'" D DT 23 ? ? P D DT 23 ? ? OP1 D DT 23 ? ? -7.5 -9 1 N1 E DG 25 ? ? C6 E DG 25 ? ? O6 E DG 25 ? ? -6.7 -10 1 C5 E DG 25 ? ? C6 E DG 25 ? ? O6 E DG 25 ? ? 4.1 -11 1 "O4'" E DC 14 ? ? "C1'" E DC 14 ? ? N1 E DC 14 ? ? 2.9 -12 1 N1 F DT 10 ? ? "C1'" F DT 10 ? ? "C2'" F DT 10 ? ? 9.8 -13 1 "O4'" F DT 8 ? ? "C1'" F DT 8 ? ? N1 F DT 8 ? ? 2.6 -14 1 "O4'" F DC 7 ? ? "C1'" F DC 7 ? ? N1 F DC 7 ? ? 3.9 -15 1 "O3'" F DT 8 ? ? P F DC 7 ? ? OP2 F DC 7 ? ? 7.2 -16 1 "O3'" F DT 1 ? ? P F DT -1 ? ? OP2 F DT -1 ? ? 7.0 -17 1 "C3'" F DG -4 ? ? "C2'" F DG -4 ? ? "C1'" F DG -4 ? ? -5.9 -18 1 CA A CYS 178 ? ? CB A CYS 178 ? ? SG A CYS 178 ? ? 9.6 -# -loop_ -_pdbx_validate_torsion.id -_pdbx_validate_torsion.PDB_model_num -_pdbx_validate_torsion.auth_comp_id -_pdbx_validate_torsion.auth_asym_id -_pdbx_validate_torsion.auth_seq_id -_pdbx_validate_torsion.PDB_ins_code -_pdbx_validate_torsion.phi -_pdbx_validate_torsion.psi -1 1 PHE A 14 ? -58.75 -70.93 -2 1 SER A 25 ? -47.20 158.81 -3 1 LYS A 26 ? 54.93 0.62 -4 1 GLU A 37 ? -160.15 -11.27 -5 1 GLU A 54 ? -49.09 -14.80 -6 1 LEU A 75 ? -42.52 -17.85 -7 1 GLN A 107 ? -58.82 1.71 -8 1 VAL A 108 ? -110.31 -73.94 -9 1 ASP A 155 ? -99.58 55.56 -10 1 ASN A 194 ? 80.54 27.71 -11 1 HIS A 199 ? 164.21 35.92 -12 1 VAL A 205 ? 85.34 87.55 -13 1 TYR A 206 ? 39.50 176.37 -14 1 HIS B 17 ? -67.14 3.74 -15 1 LYS B 26 ? 86.12 2.92 -16 1 GLU B 55 ? -89.03 34.90 -17 1 GLU B 77 ? -147.36 -34.14 -18 1 GLU B 78 ? 61.31 147.09 -19 1 LEU B 148 ? -79.97 -71.44 -20 1 ALA B 151 ? -66.67 60.84 -21 1 LYS B 152 ? -171.43 -54.58 -22 1 PRO B 154 ? -55.79 95.25 -23 1 ASP B 155 ? -173.31 -32.13 -24 1 THR B 158 ? -37.77 92.27 -25 1 MET B 163 ? -48.19 166.15 -26 1 CYS B 178 ? -153.64 -159.04 -27 1 ARG B 180 ? -24.50 -45.87 -28 1 ARG B 185 ? -39.17 -33.20 -29 1 MET B 189 ? -55.14 4.38 -30 1 ASP B 192 ? -51.78 -73.80 -31 1 GLN B 193 ? -40.00 -27.88 -32 1 ASN B 194 ? 89.91 23.95 -33 1 HIS B 199 ? 176.66 87.28 -# -loop_ -_pdbx_entity_nonpoly.entity_id -_pdbx_entity_nonpoly.name -_pdbx_entity_nonpoly.comp_id -4 "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" CMP -5 water HOH -# diff --git a/biojava-structure/src/test/resources/1j59.pdb b/biojava-structure/src/test/resources/1j59.pdb deleted file mode 100644 index 8cf825b847..0000000000 --- a/biojava-structure/src/test/resources/1j59.pdb +++ /dev/null @@ -1,5307 +0,0 @@ -HEADER GENE REGULATION/DNA 01-MAR-02 1J59 -TITLE CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA COMPLEX + -TITLE 2 ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: 5'-D(*GP*CP*GP*AP*AP*AP*AP*GP*TP*GP*TP*GP*AP*C)- -COMPND 3 3'; -COMPND 4 CHAIN: C, E; -COMPND 5 ENGINEERED: YES; -COMPND 6 MOL_ID: 2; -COMPND 7 MOLECULE: 5'- -COMPND 8 D(*AP*TP*AP*TP*GP*TP*CP*AP*CP*AP*CP*TP*TP*TP*TP*CP*G )-3'; -COMPND 9 CHAIN: D, F; -COMPND 10 ENGINEERED: YES; -COMPND 11 MOL_ID: 3; -COMPND 12 MOLECULE: CATABOLITE GENE ACTIVATOR PROTEIN (CAP); -COMPND 13 CHAIN: A, B; -COMPND 14 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 SYNTHETIC: YES; -SOURCE 3 MOL_ID: 2; -SOURCE 4 SYNTHETIC: YES; -SOURCE 5 MOL_ID: 3; -SOURCE 6 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; -SOURCE 7 ORGANISM_TAXID: 562; -SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562 -KEYWDS PROTEIN-DNA COMPLEX, GENE-REGULATORY, GENE REGULATION/DNA -KEYWDS 2 COMPLEX -EXPDTA X-RAY DIFFRACTION -AUTHOR G.PARKINSON,C.WILSON,A.GUNASEKERA,Y.W.EBRIGHT,R.H.EBRIGHT, -AUTHOR 2 H.M.BERMAN -REVDAT 3 24-FEB-09 1J59 1 VERSN -REVDAT 2 01-APR-03 1J59 1 JRNL -REVDAT 1 01-MAR-02 1J59 0 -SPRSDE 01-MAR-02 1J59 1BER -JRNL AUTH G.PARKINSON,C.WILSON,A.GUNASEKERA,Y.W.EBRIGHT, -JRNL AUTH 2 R.E.EBRIGHT,H.M.BERMAN -JRNL TITL STRUCTURE OF THE CAP-DNA COMPLEX AT 2.5 ANGSTROMS -JRNL TITL 2 RESOLUTION: A COMPLETE PICTURE OF THE PROTEIN-DNA -JRNL TITL 3 INTERFACE. -JRNL REF J.MOL.BIOL. V. 260 395 1996 -JRNL REFN ISSN 0022-2836 -JRNL PMID 8757802 -JRNL DOI 10.1006/JMBI.1996.0409 -REMARK 1 -REMARK 2 -REMARK 2 RESOLUTION. 2.50 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : X-PLOR -REMARK 3 AUTHORS : BRUNGER -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 -REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL -REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL -REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 86.0 -REMARK 3 NUMBER OF REFLECTIONS : 23644 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : NULL -REMARK 3 FREE R VALUE TEST SET SELECTION : NULL -REMARK 3 R VALUE (WORKING SET) : 0.199 -REMARK 3 FREE R VALUE : 0.279 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT : NULL -REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : NULL -REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL -REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL -REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL -REMARK 3 BIN R VALUE (WORKING SET) : NULL -REMARK 3 BIN FREE R VALUE : NULL -REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL -REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 3128 -REMARK 3 NUCLEIC ACID ATOMS : 1262 -REMARK 3 HETEROGEN ATOMS : 42 -REMARK 3 SOLVENT ATOMS : 286 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.90 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : NULL -REMARK 3 B22 (A**2) : NULL -REMARK 3 B33 (A**2) : NULL -REMARK 3 B12 (A**2) : NULL -REMARK 3 B13 (A**2) : NULL -REMARK 3 B23 (A**2) : NULL -REMARK 3 -REMARK 3 ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL -REMARK 3 ESD FROM SIGMAA (A) : NULL -REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL -REMARK 3 -REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL -REMARK 3 ESD FROM C-V SIGMAA (A) : NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 BOND LENGTHS (A) : 0.017 -REMARK 3 BOND ANGLES (DEGREES) : 2.27 -REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.90 -REMARK 3 IMPROPER ANGLES (DEGREES) : 1.40 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL MODEL : NULL -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 NCS MODEL : NULL -REMARK 3 -REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT -REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL -REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 PARAMETER FILE 1 : NULL -REMARK 3 TOPOLOGY FILE 1 : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1J59 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-MAR-02. -REMARK 100 THE RCSB ID CODE IS RCSB001694. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 01-NOV-92 -REMARK 200 TEMPERATURE (KELVIN) : NULL -REMARK 200 PH : 6.50 -REMARK 200 NUMBER OF CRYSTALS USED : NULL -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : CHESS -REMARK 200 BEAMLINE : F1 -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 0.9100 -REMARK 200 MONOCHROMATOR : NULL -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : IMAGE PLATE -REMARK 200 DETECTOR MANUFACTURER : FUJI -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : PURDUE DATA PROCESSING PACKAGE -REMARK 200 DATA SCALING SOFTWARE : NULL -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23876 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 -REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 85.4 -REMARK 200 DATA REDUNDANCY : NULL -REMARK 200 R MERGE (I) : 0.11470 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : 2.0000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL -REMARK 200 COMPLETENESS FOR SHELL (%) : NULL -REMARK 200 DATA REDUNDANCY IN SHELL : NULL -REMARK 200 R MERGE FOR SHELL (I) : NULL -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : NULL -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL -REMARK 200 SOFTWARE USED: NULL -REMARK 200 STARTING MODEL: NULL -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 58.71 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.50 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.50 -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X,-Y,Z+1/2 -REMARK 290 3555 -X,Y,-Z+1/2 -REMARK 290 4555 X,-Y,-Z -REMARK 290 5555 X+1/2,Y+1/2,Z -REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 -REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 -REMARK 290 8555 X+1/2,-Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 38.03000 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 38.03000 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 68.49500 -REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 76.40000 -REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 68.49500 -REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 76.40000 -REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 38.03000 -REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 68.49500 -REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 76.40000 -REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 38.03000 -REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 68.49500 -REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 76.40000 -REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC -REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, E, F, A, B -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 465 -REMARK 465 MISSING RESIDUES -REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE -REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 -REMARK 465 M RES C SSSEQI -REMARK 465 VAL A 1 -REMARK 465 LEU A 2 -REMARK 465 GLY A 3 -REMARK 465 LYS A 4 -REMARK 465 PRO A 5 -REMARK 465 GLN A 6 -REMARK 465 THR A 7 -REMARK 465 ASP A 8 -REMARK 465 THR A 208 -REMARK 465 ARG A 209 -REMARK 465 VAL B 1 -REMARK 465 LEU B 2 -REMARK 465 GLY B 3 -REMARK 465 LYS B 4 -REMARK 465 PRO B 5 -REMARK 465 GLN B 6 -REMARK 465 THR B 7 -REMARK 465 ASP B 8 -REMARK 465 TYR B 206 -REMARK 465 GLY B 207 -REMARK 465 THR B 208 -REMARK 465 ARG B 209 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE -REMARK 500 N LYS A 166 O HOH A 720 1.97 -REMARK 500 CA GLY B 200 O HOH B 532 2.00 -REMARK 500 C ILE A 165 O HOH A 720 2.07 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION -REMARK 500 DG C 3 C6 DG C 3 O6 0.056 -REMARK 500 DT F 1 C4 DT F 1 C5 0.056 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 DG C 3 O3' - P - OP2 ANGL. DEV. = 7.2 DEGREES -REMARK 500 DT C 4 O5' - P - OP2 ANGL. DEV. = -5.5 DEGREES -REMARK 500 DT C 4 O3' - P - OP2 ANGL. DEV. = 8.2 DEGREES -REMARK 500 DG C 5 O3' - P - OP2 ANGL. DEV. = 9.8 DEGREES -REMARK 500 DG D 14 O3' - P - OP2 ANGL. DEV. = 6.9 DEGREES -REMARK 500 DT D 15 O3' - P - OP2 ANGL. DEV. = 8.9 DEGREES -REMARK 500 DT D 22 C5' - C4' - C3' ANGL. DEV. = 10.3 DEGREES -REMARK 500 DT D 23 O5' - P - OP1 ANGL. DEV. = -7.5 DEGREES -REMARK 500 DG E 25 N1 - C6 - O6 ANGL. DEV. = -6.7 DEGREES -REMARK 500 DG E 25 C5 - C6 - O6 ANGL. DEV. = 4.1 DEGREES -REMARK 500 DC E 14 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES -REMARK 500 DT F 10 N1 - C1' - C2' ANGL. DEV. = 9.8 DEGREES -REMARK 500 DT F 8 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES -REMARK 500 DC F 7 O4' - C1' - N1 ANGL. DEV. = 3.9 DEGREES -REMARK 500 DC F 7 O3' - P - OP2 ANGL. DEV. = 7.2 DEGREES -REMARK 500 DT F -1 O3' - P - OP2 ANGL. DEV. = 7.0 DEGREES -REMARK 500 DG F -4 C3' - C2' - C1' ANGL. DEV. = -5.9 DEGREES -REMARK 500 CYS A 178 CA - CB - SG ANGL. DEV. = 9.6 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 PHE A 14 -70.93 -58.75 -REMARK 500 SER A 25 158.81 -47.20 -REMARK 500 LYS A 26 0.62 54.93 -REMARK 500 GLU A 37 -11.27 -160.15 -REMARK 500 GLU A 54 -14.80 -49.09 -REMARK 500 LEU A 75 -17.85 -42.52 -REMARK 500 GLN A 107 1.71 -58.82 -REMARK 500 VAL A 108 -73.94 -110.31 -REMARK 500 ASP A 155 55.56 -99.58 -REMARK 500 ASN A 194 27.71 80.54 -REMARK 500 HIS A 199 35.92 164.21 -REMARK 500 VAL A 205 87.55 85.34 -REMARK 500 TYR A 206 176.37 39.50 -REMARK 500 HIS B 17 3.74 -67.14 -REMARK 500 LYS B 26 2.92 86.12 -REMARK 500 GLU B 55 34.90 -89.03 -REMARK 500 GLU B 77 -34.14 -147.36 -REMARK 500 GLU B 78 147.09 61.31 -REMARK 500 LEU B 148 -71.44 -79.97 -REMARK 500 ALA B 151 60.84 -66.67 -REMARK 500 LYS B 152 -54.58 -171.43 -REMARK 500 PRO B 154 95.25 -55.79 -REMARK 500 ASP B 155 -32.13 -173.31 -REMARK 500 THR B 158 92.27 -37.77 -REMARK 500 MET B 163 166.15 -48.19 -REMARK 500 CYS B 178 -159.04 -153.64 -REMARK 500 ARG B 180 -45.87 -24.50 -REMARK 500 ARG B 185 -33.20 -39.17 -REMARK 500 MET B 189 4.38 -55.14 -REMARK 500 ASP B 192 -73.80 -51.78 -REMARK 500 GLN B 193 -27.88 -40.00 -REMARK 500 ASN B 194 23.95 89.91 -REMARK 500 HIS B 199 87.28 176.66 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 525 -REMARK 525 SOLVENT -REMARK 525 -REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT -REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST -REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT -REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE -REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; -REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE -REMARK 525 NUMBER; I=INSERTION CODE): -REMARK 525 -REMARK 525 M RES CSSEQI -REMARK 525 HOH D 475 DISTANCE = 6.11 ANGSTROMS -REMARK 525 HOH B 638 DISTANCE = 6.20 ANGSTROMS -REMARK 525 HOH D 482 DISTANCE = 5.60 ANGSTROMS -REMARK 525 HOH D 524 DISTANCE = 5.44 ANGSTROMS -REMARK 525 HOH E 580 DISTANCE = 6.66 ANGSTROMS -REMARK 525 HOH F 559 DISTANCE = 5.09 ANGSTROMS -REMARK 525 HOH C 636 DISTANCE = 5.26 ANGSTROMS -REMARK 525 HOH D 642 DISTANCE = 5.23 ANGSTROMS -REMARK 525 HOH D 755 DISTANCE = 6.07 ANGSTROMS -REMARK 610 -REMARK 610 MISSING HETEROATOM -REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; -REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; -REMARK 610 I=INSERTION CODE): -REMARK 610 M RES C SSEQI -REMARK 610 CMP B 761 -REMARK 610 CMP A 762 -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CMP B 761 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CMP A 762 -DBREF 1J59 A 1 209 UNP P0ACJ8 CRP_ECOLI 2 210 -DBREF 1J59 B 1 209 UNP P0ACJ8 CRP_ECOLI 2 210 -DBREF 1J59 C -5 9 PDB 1J59 1J59 -5 9 -DBREF 1J59 D 10 26 PDB 1J59 1J59 10 26 -DBREF 1J59 E 27 14 PDB 1J59 1J59 27 14 -DBREF 1J59 F 13 -4 PDB 1J59 1J59 13 -4 -SEQRES 1 C 14 DG DC DG DA DA DA DA DG DT DG DT DG DA -SEQRES 2 C 14 DC -SEQRES 1 D 17 DA DT DA DT DG DT DC DA DC DA DC DT DT -SEQRES 2 D 17 DT DT DC DG -SEQRES 1 E 14 DG DC DG DA DA DA DA DG DT DG DT DG DA -SEQRES 2 E 14 DC -SEQRES 1 F 17 DA DT DA DT DG DT DC DA DC DA DC DT DT -SEQRES 2 F 17 DT DT DC DG -SEQRES 1 A 209 VAL LEU GLY LYS PRO GLN THR ASP PRO THR LEU GLU TRP -SEQRES 2 A 209 PHE LEU SER HIS CYS HIS ILE HIS LYS TYR PRO SER LYS -SEQRES 3 A 209 SER THR LEU ILE HIS GLN GLY GLU LYS ALA GLU THR LEU -SEQRES 4 A 209 TYR TYR ILE VAL LYS GLY SER VAL ALA VAL LEU ILE LYS -SEQRES 5 A 209 ASP GLU GLU GLY LYS GLU MET ILE LEU SER TYR LEU ASN -SEQRES 6 A 209 GLN GLY ASP PHE ILE GLY GLU LEU GLY LEU PHE GLU GLU -SEQRES 7 A 209 GLY GLN GLU ARG SER ALA TRP VAL ARG ALA LYS THR ALA -SEQRES 8 A 209 CYS GLU VAL ALA GLU ILE SER TYR LYS LYS PHE ARG GLN -SEQRES 9 A 209 LEU ILE GLN VAL ASN PRO ASP ILE LEU MET ARG LEU SER -SEQRES 10 A 209 ALA GLN MET ALA ARG ARG LEU GLN VAL THR SER GLU LYS -SEQRES 11 A 209 VAL GLY ASN LEU ALA PHE LEU ASP VAL THR GLY ARG ILE -SEQRES 12 A 209 ALA GLN THR LEU LEU ASN LEU ALA LYS GLN PRO ASP ALA -SEQRES 13 A 209 MET THR HIS PRO ASP GLY MET GLN ILE LYS ILE THR ARG -SEQRES 14 A 209 GLN GLU ILE GLY GLN ILE VAL GLY CYS SER ARG GLU THR -SEQRES 15 A 209 VAL GLY ARG ILE LEU LYS MET LEU GLU ASP GLN ASN LEU -SEQRES 16 A 209 ILE SER ALA HIS GLY LYS THR ILE VAL VAL TYR GLY THR -SEQRES 17 A 209 ARG -SEQRES 1 B 209 VAL LEU GLY LYS PRO GLN THR ASP PRO THR LEU GLU TRP -SEQRES 2 B 209 PHE LEU SER HIS CYS HIS ILE HIS LYS TYR PRO SER LYS -SEQRES 3 B 209 SER THR LEU ILE HIS GLN GLY GLU LYS ALA GLU THR LEU -SEQRES 4 B 209 TYR TYR ILE VAL LYS GLY SER VAL ALA VAL LEU ILE LYS -SEQRES 5 B 209 ASP GLU GLU GLY LYS GLU MET ILE LEU SER TYR LEU ASN -SEQRES 6 B 209 GLN GLY ASP PHE ILE GLY GLU LEU GLY LEU PHE GLU GLU -SEQRES 7 B 209 GLY GLN GLU ARG SER ALA TRP VAL ARG ALA LYS THR ALA -SEQRES 8 B 209 CYS GLU VAL ALA GLU ILE SER TYR LYS LYS PHE ARG GLN -SEQRES 9 B 209 LEU ILE GLN VAL ASN PRO ASP ILE LEU MET ARG LEU SER -SEQRES 10 B 209 ALA GLN MET ALA ARG ARG LEU GLN VAL THR SER GLU LYS -SEQRES 11 B 209 VAL GLY ASN LEU ALA PHE LEU ASP VAL THR GLY ARG ILE -SEQRES 12 B 209 ALA GLN THR LEU LEU ASN LEU ALA LYS GLN PRO ASP ALA -SEQRES 13 B 209 MET THR HIS PRO ASP GLY MET GLN ILE LYS ILE THR ARG -SEQRES 14 B 209 GLN GLU ILE GLY GLN ILE VAL GLY CYS SER ARG GLU THR -SEQRES 15 B 209 VAL GLY ARG ILE LEU LYS MET LEU GLU ASP GLN ASN LEU -SEQRES 16 B 209 ILE SER ALA HIS GLY LYS THR ILE VAL VAL TYR GLY THR -SEQRES 17 B 209 ARG -HET CMP B 761 21 -HET CMP A 762 21 -HETNAM CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE -HETSYN CMP CYCLIC AMP; CAMP -FORMUL 7 CMP 2(C10 H12 N5 O6 P) -FORMUL 9 HOH *286(H2 O) -HELIX 1 1 THR A 10 HIS A 17 1 8 -HELIX 2 2 TYR A 99 ILE A 106 1 8 -HELIX 3 3 PRO A 110 PHE A 136 5 27 -HELIX 4 4 VAL A 139 LYS A 152 1 14 -HELIX 5 5 ARG A 169 VAL A 176 1 8 -HELIX 6 6 ARG A 180 ASP A 192 1 13 -HELIX 7 7 THR B 10 SER B 16 1 7 -HELIX 8 8 GLY B 74 PHE B 76 5 3 -HELIX 9 9 TYR B 99 VAL B 108 1 10 -HELIX 10 10 PRO B 110 PHE B 136 1 27 -HELIX 11 11 VAL B 139 LEU B 150 1 12 -HELIX 12 12 ARG B 169 VAL B 176 1 8 -HELIX 13 13 ARG B 180 GLU B 191 1 12 -SHEET 1 A 3 TRP A 85 ALA A 88 0 -SHEET 2 A 3 VAL A 47 LYS A 52 -1 N LEU A 50 O TRP A 85 -SHEET 3 A 3 GLU A 58 LEU A 64 -1 N LEU A 64 O VAL A 47 -SHEET 1 B 3 MET A 163 LYS A 166 0 -SHEET 2 B 3 LYS A 201 VAL A 204 -1 N VAL A 204 O MET A 163 -SHEET 3 B 3 ILE A 196 ALA A 198 -1 N SER A 197 O ILE A 203 -SHEET 1 C 3 HIS B 19 TYR B 23 0 -SHEET 2 C 3 CYS B 92 SER B 98 -1 N GLU B 96 O HIS B 19 -SHEET 3 C 3 THR B 38 LYS B 44 -1 N LYS B 44 O GLU B 93 -SHEET 1 D 3 TRP B 85 ALA B 88 0 -SHEET 2 D 3 SER B 46 LYS B 52 -1 N LEU B 50 O TRP B 85 -SHEET 3 D 3 GLU B 58 ASN B 65 -1 N LEU B 64 O VAL B 47 -SHEET 1 E 2 ILE B 196 HIS B 199 0 -SHEET 2 E 2 LYS B 201 VAL B 204 -1 N ILE B 203 O SER B 197 -SHEET 1 F 2 THR A 38 LYS A 44 0 -SHEET 2 F 2 GLU A 93 SER A 98 -1 N ILE A 97 O LEU A 39 -SITE 1 AC1 10 LEU A 124 SER A 128 VAL B 49 GLY B 71 -SITE 2 AC1 10 GLU B 72 LEU B 73 ARG B 82 SER B 83 -SITE 3 AC1 10 ALA B 84 THR B 127 -SITE 1 AC2 11 ILE A 30 VAL A 49 LEU A 61 GLY A 71 -SITE 2 AC2 11 GLU A 72 LEU A 73 ARG A 82 SER A 83 -SITE 3 AC2 11 THR A 127 LEU B 124 SER B 128 -CRYST1 136.990 152.800 76.060 90.00 90.00 90.00 C 2 2 21 16 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 0.007299 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.006544 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.013147 0.00000 -ATOM 1 O5' DG C -5 -5.513 61.883 -25.680 1.00 38.64 O -ATOM 2 C5' DG C -5 -4.320 62.508 -25.164 1.00 41.72 C -ATOM 3 C4' DG C -5 -4.328 63.985 -25.475 1.00 38.99 C -ATOM 4 O4' DG C -5 -4.443 64.782 -24.264 1.00 30.81 O -ATOM 5 C3' DG C -5 -3.102 64.474 -26.247 1.00 36.45 C -ATOM 6 O3' DG C -5 -3.629 65.218 -27.360 1.00 46.52 O -ATOM 7 C2' DG C -5 -2.320 65.297 -25.223 1.00 36.24 C -ATOM 8 C1' DG C -5 -3.319 65.650 -24.112 1.00 38.95 C -ATOM 9 N9 DG C -5 -2.861 65.541 -22.717 1.00 36.28 N -ATOM 10 C8 DG C -5 -2.739 64.397 -21.970 1.00 33.98 C -ATOM 11 N7 DG C -5 -2.338 64.624 -20.741 1.00 39.95 N -ATOM 12 C5 DG C -5 -2.185 66.002 -20.669 1.00 35.40 C -ATOM 13 C6 DG C -5 -1.775 66.862 -19.573 1.00 38.15 C -ATOM 14 O6 DG C -5 -1.507 66.565 -18.403 1.00 32.94 O -ATOM 15 N1 DG C -5 -1.712 68.193 -19.962 1.00 38.66 N -ATOM 16 C2 DG C -5 -2.019 68.662 -21.202 1.00 43.52 C -ATOM 17 N2 DG C -5 -1.892 69.982 -21.387 1.00 40.44 N -ATOM 18 N3 DG C -5 -2.423 67.893 -22.212 1.00 46.07 N -ATOM 19 C4 DG C -5 -2.482 66.586 -21.881 1.00 37.80 C -ATOM 20 P DC C -4 -2.672 65.800 -28.514 1.00 43.99 P -ATOM 21 OP1 DC C -4 -3.635 66.486 -29.432 1.00 41.89 O -ATOM 22 OP2 DC C -4 -1.774 64.742 -29.034 1.00 42.54 O -ATOM 23 O5' DC C -4 -1.839 66.949 -27.763 1.00 49.52 O -ATOM 24 C5' DC C -4 -2.502 68.023 -27.042 1.00 39.42 C -ATOM 25 C4' DC C -4 -2.448 69.314 -27.835 1.00 45.05 C -ATOM 26 O4' DC C -4 -2.052 70.421 -26.997 1.00 38.10 O -ATOM 27 C3' DC C -4 -1.383 69.287 -28.922 1.00 48.10 C -ATOM 28 O3' DC C -4 -1.717 70.209 -29.944 1.00 53.24 O -ATOM 29 C2' DC C -4 -0.129 69.756 -28.208 1.00 50.54 C -ATOM 30 C1' DC C -4 -0.629 70.414 -26.930 1.00 46.09 C -ATOM 31 N1 DC C -4 -0.270 69.624 -25.759 1.00 45.78 N -ATOM 32 C2 DC C -4 -0.169 70.270 -24.535 1.00 49.94 C -ATOM 33 O2 DC C -4 -0.365 71.498 -24.495 1.00 55.00 O -ATOM 34 N3 DC C -4 0.137 69.555 -23.425 1.00 45.26 N -ATOM 35 C4 DC C -4 0.342 68.242 -23.523 1.00 45.88 C -ATOM 36 N4 DC C -4 0.631 67.562 -22.396 1.00 39.63 N -ATOM 37 C5 DC C -4 0.257 67.561 -24.780 1.00 47.94 C -ATOM 38 C6 DC C -4 -0.046 68.283 -25.858 1.00 38.54 C -ATOM 39 P DG C -3 -1.047 70.066 -31.388 1.00 48.45 P -ATOM 40 OP1 DG C -3 -2.067 70.399 -32.445 1.00 50.01 O -ATOM 41 OP2 DG C -3 -0.415 68.728 -31.365 1.00 51.07 O -ATOM 42 O5' DG C -3 0.050 71.208 -31.389 1.00 45.60 O -ATOM 43 C5' DG C -3 1.345 70.968 -30.881 1.00 45.65 C -ATOM 44 C4' DG C -3 1.892 72.247 -30.307 1.00 48.82 C -ATOM 45 O4' DG C -3 2.096 72.061 -28.896 1.00 49.02 O -ATOM 46 C3' DG C -3 3.254 72.610 -30.848 1.00 49.88 C -ATOM 47 O3' DG C -3 3.435 74.032 -30.679 1.00 50.46 O -ATOM 48 C2' DG C -3 4.171 71.762 -29.973 1.00 48.77 C -ATOM 49 C1' DG C -3 3.481 71.831 -28.626 1.00 53.28 C -ATOM 50 N9 DG C -3 3.584 70.642 -27.768 1.00 54.83 N -ATOM 51 C8 DG C -3 3.540 69.321 -28.143 1.00 49.73 C -ATOM 52 N7 DG C -3 3.646 68.501 -27.130 1.00 48.47 N -ATOM 53 C5 DG C -3 3.773 69.325 -26.023 1.00 44.64 C -ATOM 54 C6 DG C -3 3.926 69.011 -24.665 1.00 40.91 C -ATOM 55 O6 DG C -3 4.003 67.922 -24.135 1.00 39.80 O -ATOM 56 N1 DG C -3 4.003 70.138 -23.890 1.00 45.45 N -ATOM 57 C2 DG C -3 3.958 71.419 -24.353 1.00 43.65 C -ATOM 58 N2 DG C -3 4.056 72.375 -23.425 1.00 47.81 N -ATOM 59 N3 DG C -3 3.827 71.741 -25.613 1.00 45.65 N -ATOM 60 C4 DG C -3 3.738 70.649 -26.393 1.00 49.55 C -ATOM 61 P DA C -2 4.300 74.860 -31.757 1.00 52.22 P -ATOM 62 OP1 DA C -2 3.369 75.612 -32.671 1.00 48.13 O -ATOM 63 OP2 DA C -2 5.338 73.940 -32.351 1.00 46.12 O -ATOM 64 O5' DA C -2 5.135 75.903 -30.884 1.00 51.19 O -ATOM 65 C5' DA C -2 4.504 76.780 -29.973 1.00 42.96 C -ATOM 66 C4' DA C -2 5.313 76.844 -28.701 1.00 51.90 C -ATOM 67 O4' DA C -2 5.377 75.524 -28.094 1.00 55.00 O -ATOM 68 C3' DA C -2 6.766 77.289 -28.867 1.00 49.76 C -ATOM 69 O3' DA C -2 7.103 78.034 -27.673 1.00 45.65 O -ATOM 70 C2' DA C -2 7.501 75.950 -28.920 1.00 50.32 C -ATOM 71 C1' DA C -2 6.726 75.133 -27.892 1.00 51.61 C -ATOM 72 N9 DA C -2 6.781 73.667 -28.011 1.00 54.31 N -ATOM 73 C8 DA C -2 6.819 72.889 -29.157 1.00 54.67 C -ATOM 74 N7 DA C -2 6.846 71.590 -28.921 1.00 47.83 N -ATOM 75 C5 DA C -2 6.833 71.505 -27.533 1.00 46.09 C -ATOM 76 C6 DA C -2 6.857 70.400 -26.641 1.00 40.88 C -ATOM 77 N6 DA C -2 6.890 69.123 -27.018 1.00 40.41 N -ATOM 78 N1 DA C -2 6.842 70.664 -25.328 1.00 42.95 N -ATOM 79 C2 DA C -2 6.801 71.942 -24.937 1.00 45.27 C -ATOM 80 N3 DA C -2 6.775 73.060 -25.664 1.00 40.58 N -ATOM 81 C4 DA C -2 6.794 72.775 -26.963 1.00 47.40 C -ATOM 82 P DA C -1 8.207 79.196 -27.713 1.00 46.03 P -ATOM 83 OP1 DA C -1 7.595 80.446 -27.189 1.00 40.78 O -ATOM 84 OP2 DA C -1 8.770 79.127 -29.092 1.00 45.36 O -ATOM 85 O5' DA C -1 9.336 78.745 -26.679 1.00 46.41 O -ATOM 86 C5' DA C -1 9.090 78.817 -25.270 1.00 52.50 C -ATOM 87 C4' DA C -1 9.985 77.875 -24.475 1.00 47.09 C -ATOM 88 O4' DA C -1 9.776 76.472 -24.743 1.00 51.83 O -ATOM 89 C3' DA C -1 11.483 78.094 -24.532 1.00 37.18 C -ATOM 90 O3' DA C -1 11.827 78.105 -23.191 1.00 39.85 O -ATOM 91 C2' DA C -1 12.035 76.871 -25.245 1.00 38.58 C -ATOM 92 C1' DA C -1 11.022 75.795 -24.899 1.00 48.80 C -ATOM 93 N9 DA C -1 10.780 74.723 -25.877 1.00 46.32 N -ATOM 94 C8 DA C -1 10.462 74.789 -27.210 1.00 51.01 C -ATOM 95 N7 DA C -1 10.279 73.613 -27.776 1.00 48.57 N -ATOM 96 C5 DA C -1 10.499 72.718 -26.751 1.00 48.85 C -ATOM 97 C6 DA C -1 10.431 71.323 -26.688 1.00 48.01 C -ATOM 98 N6 DA C -1 10.155 70.530 -27.723 1.00 53.37 N -ATOM 99 N1 DA C -1 10.668 70.748 -25.506 1.00 49.06 N -ATOM 100 C2 DA C -1 10.966 71.521 -24.456 1.00 51.75 C -ATOM 101 N3 DA C -1 11.071 72.840 -24.381 1.00 51.23 N -ATOM 102 C4 DA C -1 10.815 73.385 -25.577 1.00 50.45 C -ATOM 103 P DA C 1 13.350 78.050 -22.773 1.00 47.45 P -ATOM 104 OP1 DA C 1 13.469 78.954 -21.582 1.00 45.49 O -ATOM 105 OP2 DA C 1 14.274 78.193 -23.934 1.00 42.50 O -ATOM 106 O5' DA C 1 13.498 76.545 -22.326 1.00 48.52 O -ATOM 107 C5' DA C 1 12.567 75.958 -21.444 1.00 43.66 C -ATOM 108 C4' DA C 1 13.127 74.642 -20.987 1.00 45.75 C -ATOM 109 O4' DA C 1 13.034 73.740 -22.116 1.00 39.86 O -ATOM 110 C3' DA C 1 14.615 74.720 -20.604 1.00 45.30 C -ATOM 111 O3' DA C 1 14.788 74.066 -19.312 1.00 47.29 O -ATOM 112 C2' DA C 1 15.331 74.106 -21.803 1.00 40.69 C -ATOM 113 C1' DA C 1 14.294 73.152 -22.379 1.00 40.17 C -ATOM 114 N9 DA C 1 14.311 72.882 -23.814 1.00 43.03 N -ATOM 115 C8 DA C 1 14.560 73.738 -24.843 1.00 47.38 C -ATOM 116 N7 DA C 1 14.454 73.186 -26.030 1.00 46.14 N -ATOM 117 C5 DA C 1 14.118 71.871 -25.758 1.00 42.97 C -ATOM 118 C6 DA C 1 13.824 70.756 -26.604 1.00 47.73 C -ATOM 119 N6 DA C 1 13.851 70.790 -27.945 1.00 44.81 N -ATOM 120 N1 DA C 1 13.494 69.592 -26.006 1.00 51.72 N -ATOM 121 C2 DA C 1 13.464 69.553 -24.654 1.00 55.00 C -ATOM 122 N3 DA C 1 13.717 70.525 -23.768 1.00 45.64 N -ATOM 123 C4 DA C 1 14.039 71.668 -24.393 1.00 43.59 C -ATOM 124 P DA C 2 16.253 73.696 -18.748 1.00 45.80 P -ATOM 125 OP1 DA C 2 16.183 73.492 -17.271 1.00 44.06 O -ATOM 126 OP2 DA C 2 17.314 74.543 -19.344 1.00 42.72 O -ATOM 127 O5' DA C 2 16.478 72.240 -19.326 1.00 51.30 O -ATOM 128 C5' DA C 2 15.493 71.236 -19.112 1.00 47.61 C -ATOM 129 C4' DA C 2 15.922 69.943 -19.763 1.00 42.19 C -ATOM 130 O4' DA C 2 15.790 70.056 -21.196 1.00 39.05 O -ATOM 131 C3' DA C 2 17.371 69.560 -19.486 1.00 34.23 C -ATOM 132 O3' DA C 2 17.340 68.254 -18.878 1.00 29.13 O -ATOM 133 C2' DA C 2 18.022 69.640 -20.861 1.00 30.35 C -ATOM 134 C1' DA C 2 16.863 69.442 -21.807 1.00 30.17 C -ATOM 135 N9 DA C 2 17.041 70.086 -23.087 1.00 28.16 N -ATOM 136 C8 DA C 2 17.331 71.391 -23.351 1.00 37.58 C -ATOM 137 N7 DA C 2 17.451 71.662 -24.618 1.00 35.88 N -ATOM 138 C5 DA C 2 17.221 70.435 -25.233 1.00 39.40 C -ATOM 139 C6 DA C 2 17.271 70.012 -26.579 1.00 38.39 C -ATOM 140 N6 DA C 2 17.514 70.816 -27.604 1.00 42.42 N -ATOM 141 N1 DA C 2 17.058 68.710 -26.831 1.00 37.24 N -ATOM 142 C2 DA C 2 16.808 67.890 -25.803 1.00 38.70 C -ATOM 143 N3 DA C 2 16.734 68.161 -24.520 1.00 34.87 N -ATOM 144 C4 DA C 2 16.957 69.467 -24.293 1.00 34.26 C -ATOM 145 P DG C 3 18.711 67.431 -18.615 1.00 18.93 P -ATOM 146 OP1 DG C 3 18.258 66.503 -17.501 1.00 17.51 O -ATOM 147 OP2 DG C 3 19.981 68.214 -18.499 1.00 15.92 O -ATOM 148 O5' DG C 3 18.863 66.613 -19.967 1.00 22.62 O -ATOM 149 C5' DG C 3 17.817 65.715 -20.388 1.00 19.89 C -ATOM 150 C4' DG C 3 18.278 64.931 -21.585 1.00 10.77 C -ATOM 151 O4' DG C 3 18.382 65.896 -22.634 1.00 13.32 O -ATOM 152 C3' DG C 3 19.678 64.313 -21.451 1.00 12.75 C -ATOM 153 O3' DG C 3 19.583 62.928 -21.708 1.00 14.83 O -ATOM 154 C2' DG C 3 20.508 65.046 -22.477 1.00 6.00 C -ATOM 155 C1' DG C 3 19.427 65.526 -23.434 1.00 14.49 C -ATOM 156 N9 DG C 3 19.855 66.655 -24.243 1.00 21.27 N -ATOM 157 C8 DG C 3 20.562 67.748 -23.802 1.00 30.68 C -ATOM 158 N7 DG C 3 20.895 68.569 -24.760 1.00 31.53 N -ATOM 159 C5 DG C 3 20.359 67.993 -25.906 1.00 32.34 C -ATOM 160 C6 DG C 3 20.455 68.399 -27.280 1.00 31.35 C -ATOM 161 O6 DG C 3 21.035 69.435 -27.791 1.00 26.87 O -ATOM 162 N1 DG C 3 19.800 67.489 -28.115 1.00 33.43 N -ATOM 163 C2 DG C 3 19.146 66.362 -27.705 1.00 35.48 C -ATOM 164 N2 DG C 3 18.574 65.651 -28.702 1.00 34.59 N -ATOM 165 N3 DG C 3 19.058 65.967 -26.430 1.00 28.62 N -ATOM 166 C4 DG C 3 19.686 66.821 -25.596 1.00 23.64 C -ATOM 167 P DT C 4 20.899 62.044 -21.929 1.00 17.48 P -ATOM 168 OP1 DT C 4 20.504 60.642 -21.676 1.00 28.44 O -ATOM 169 OP2 DT C 4 22.214 62.555 -21.389 1.00 21.50 O -ATOM 170 O5' DT C 4 21.133 62.257 -23.491 1.00 28.24 O -ATOM 171 C5' DT C 4 20.299 61.671 -24.463 1.00 17.17 C -ATOM 172 C4' DT C 4 21.077 61.568 -25.744 1.00 21.82 C -ATOM 173 O4' DT C 4 21.197 62.933 -26.189 1.00 25.33 O -ATOM 174 C3' DT C 4 22.517 61.030 -25.571 1.00 24.78 C -ATOM 175 O3' DT C 4 22.744 59.961 -26.509 1.00 19.15 O -ATOM 176 C2' DT C 4 23.425 62.234 -25.783 1.00 22.80 C -ATOM 177 C1' DT C 4 22.531 63.164 -26.598 1.00 26.79 C -ATOM 178 N1 DT C 4 22.802 64.613 -26.484 1.00 27.98 N -ATOM 179 C2 DT C 4 22.857 65.297 -27.679 1.00 23.63 C -ATOM 180 O2 DT C 4 22.666 64.738 -28.745 1.00 29.11 O -ATOM 181 N3 DT C 4 23.139 66.653 -27.586 1.00 18.52 N -ATOM 182 C4 DT C 4 23.365 67.368 -26.418 1.00 26.60 C -ATOM 183 O4 DT C 4 23.613 68.594 -26.490 1.00 18.40 O -ATOM 184 C5 DT C 4 23.281 66.557 -25.168 1.00 15.09 C -ATOM 185 C7 DT C 4 23.523 67.217 -23.857 1.00 17.01 C -ATOM 186 C6 DT C 4 23.003 65.249 -25.272 1.00 21.89 C -ATOM 187 P DG C 5 24.220 59.323 -26.711 1.00 25.35 P -ATOM 188 OP1 DG C 5 23.806 57.932 -26.932 1.00 24.62 O -ATOM 189 OP2 DG C 5 25.315 59.649 -25.757 1.00 23.48 O -ATOM 190 O5' DG C 5 24.653 59.869 -28.138 1.00 32.80 O -ATOM 191 C5' DG C 5 23.752 59.614 -29.225 1.00 36.50 C -ATOM 192 C4' DG C 5 24.415 59.818 -30.556 1.00 25.94 C -ATOM 193 O4' DG C 5 24.753 61.197 -30.595 1.00 28.89 O -ATOM 194 C3' DG C 5 25.685 59.022 -30.785 1.00 34.63 C -ATOM 195 O3' DG C 5 25.620 58.394 -32.092 1.00 32.43 O -ATOM 196 C2' DG C 5 26.799 60.023 -30.503 1.00 33.78 C -ATOM 197 C1' DG C 5 26.143 61.394 -30.612 1.00 35.99 C -ATOM 198 N9 DG C 5 26.408 62.369 -29.558 1.00 40.06 N -ATOM 199 C8 DG C 5 26.645 62.115 -28.231 1.00 35.11 C -ATOM 200 N7 DG C 5 26.819 63.202 -27.521 1.00 33.83 N -ATOM 201 C5 DG C 5 26.690 64.246 -28.429 1.00 37.23 C -ATOM 202 C6 DG C 5 26.781 65.665 -28.231 1.00 33.12 C -ATOM 203 O6 DG C 5 26.979 66.277 -27.196 1.00 36.14 O -ATOM 204 N1 DG C 5 26.610 66.365 -29.415 1.00 35.63 N -ATOM 205 C2 DG C 5 26.384 65.789 -30.646 1.00 38.08 C -ATOM 206 N2 DG C 5 26.275 66.639 -31.649 1.00 35.21 N -ATOM 207 N3 DG C 5 26.281 64.466 -30.863 1.00 37.93 N -ATOM 208 C4 DG C 5 26.445 63.757 -29.704 1.00 41.91 C -ATOM 209 P DT C 6 26.965 58.071 -32.910 1.00 40.56 P -ATOM 210 OP1 DT C 6 26.564 57.966 -34.310 1.00 35.20 O -ATOM 211 OP2 DT C 6 27.790 56.985 -32.319 1.00 36.00 O -ATOM 212 O5' DT C 6 27.764 59.412 -32.739 1.00 33.05 O -ATOM 213 C5' DT C 6 27.400 60.519 -33.495 1.00 25.39 C -ATOM 214 C4' DT C 6 28.601 60.978 -34.243 1.00 33.42 C -ATOM 215 O4' DT C 6 29.078 62.130 -33.549 1.00 33.86 O -ATOM 216 C3' DT C 6 29.747 59.969 -34.226 1.00 43.29 C -ATOM 217 O3' DT C 6 30.483 60.179 -35.440 1.00 54.14 O -ATOM 218 C2' DT C 6 30.549 60.369 -32.992 1.00 37.21 C -ATOM 219 C1' DT C 6 30.302 61.878 -32.866 1.00 37.56 C -ATOM 220 N1 DT C 6 30.084 62.366 -31.495 1.00 38.76 N -ATOM 221 C2 DT C 6 29.879 63.727 -31.286 1.00 38.07 C -ATOM 222 O2 DT C 6 29.906 64.568 -32.164 1.00 37.79 O -ATOM 223 N3 DT C 6 29.643 64.073 -29.991 1.00 42.06 N -ATOM 224 C4 DT C 6 29.600 63.230 -28.901 1.00 43.79 C -ATOM 225 O4 DT C 6 29.371 63.699 -27.790 1.00 42.64 O -ATOM 226 C5 DT C 6 29.841 61.814 -29.195 1.00 42.21 C -ATOM 227 C7 DT C 6 29.822 60.814 -28.086 1.00 42.65 C -ATOM 228 C6 DT C 6 30.069 61.470 -30.457 1.00 37.01 C -ATOM 229 P DG C 7 31.343 59.002 -36.098 1.00 53.86 P -ATOM 230 OP1 DG C 7 31.126 59.181 -37.584 1.00 47.74 O -ATOM 231 OP2 DG C 7 31.029 57.678 -35.465 1.00 55.00 O -ATOM 232 O5' DG C 7 32.825 59.451 -35.688 1.00 52.23 O -ATOM 233 C5' DG C 7 33.372 60.676 -36.214 1.00 51.25 C -ATOM 234 C4' DG C 7 34.721 61.016 -35.603 1.00 50.70 C -ATOM 235 O4' DG C 7 34.534 61.717 -34.355 1.00 49.07 O -ATOM 236 C3' DG C 7 35.666 59.854 -35.291 1.00 53.77 C -ATOM 237 O3' DG C 7 37.034 60.280 -35.526 1.00 50.25 O -ATOM 238 C2' DG C 7 35.403 59.617 -33.808 1.00 54.16 C -ATOM 239 C1' DG C 7 35.221 61.043 -33.315 1.00 52.84 C -ATOM 240 N9 DG C 7 34.427 61.208 -32.107 1.00 49.18 N -ATOM 241 C8 DG C 7 33.357 60.460 -31.688 1.00 49.23 C -ATOM 242 N7 DG C 7 32.859 60.885 -30.559 1.00 49.36 N -ATOM 243 C5 DG C 7 33.658 61.972 -30.223 1.00 45.61 C -ATOM 244 C6 DG C 7 33.595 62.855 -29.120 1.00 43.93 C -ATOM 245 O6 DG C 7 32.817 62.849 -28.181 1.00 48.29 O -ATOM 246 N1 DG C 7 34.572 63.828 -29.184 1.00 48.24 N -ATOM 247 C2 DG C 7 35.501 63.943 -30.187 1.00 51.08 C -ATOM 248 N2 DG C 7 36.385 64.954 -30.084 1.00 48.89 N -ATOM 249 N3 DG C 7 35.566 63.129 -31.218 1.00 51.58 N -ATOM 250 C4 DG C 7 34.622 62.174 -31.171 1.00 45.71 C -ATOM 251 P DA C 8 38.033 59.370 -36.407 1.00 50.53 P -ATOM 252 OP1 DA C 8 37.594 59.400 -37.818 1.00 54.92 O -ATOM 253 OP2 DA C 8 38.282 58.052 -35.740 1.00 48.74 O -ATOM 254 O5' DA C 8 39.371 60.212 -36.338 1.00 53.18 O -ATOM 255 C5' DA C 8 39.365 61.593 -36.705 1.00 48.77 C -ATOM 256 C4' DA C 8 40.338 62.376 -35.849 1.00 50.89 C -ATOM 257 O4' DA C 8 39.680 62.759 -34.612 1.00 54.00 O -ATOM 258 C3' DA C 8 41.610 61.600 -35.469 1.00 49.06 C -ATOM 259 O3' DA C 8 42.807 62.293 -35.881 1.00 50.06 O -ATOM 260 C2' DA C 8 41.509 61.350 -33.967 1.00 49.82 C -ATOM 261 C1' DA C 8 40.409 62.289 -33.477 1.00 49.02 C -ATOM 262 N9 DA C 8 39.451 61.633 -32.614 1.00 42.96 N -ATOM 263 C8 DA C 8 38.713 60.510 -32.851 1.00 44.89 C -ATOM 264 N7 DA C 8 37.921 60.181 -31.860 1.00 46.16 N -ATOM 265 C5 DA C 8 38.160 61.165 -30.899 1.00 47.10 C -ATOM 266 C6 DA C 8 37.648 61.391 -29.589 1.00 41.87 C -ATOM 267 N6 DA C 8 36.742 60.623 -28.960 1.00 44.15 N -ATOM 268 N1 DA C 8 38.122 62.460 -28.929 1.00 47.70 N -ATOM 269 C2 DA C 8 39.055 63.243 -29.525 1.00 49.80 C -ATOM 270 N3 DA C 8 39.609 63.127 -30.722 1.00 43.83 N -ATOM 271 C4 DA C 8 39.109 62.061 -31.364 1.00 44.77 C -ATOM 272 P DC C 9 43.209 63.711 -35.215 1.00 55.00 P -ATOM 273 OP1 DC C 9 42.187 64.272 -34.220 1.00 45.38 O -ATOM 274 OP2 DC C 9 43.640 64.570 -36.356 1.00 55.00 O -ATOM 275 O5' DC C 9 44.591 63.333 -34.488 1.00 55.00 O -ATOM 276 C5' DC C 9 44.629 62.522 -33.292 1.00 55.00 C -ATOM 277 C4' DC C 9 44.806 63.399 -32.071 1.00 55.00 C -ATOM 278 O4' DC C 9 43.485 63.682 -31.530 1.00 55.00 O -ATOM 279 C3' DC C 9 45.575 62.759 -30.908 1.00 55.00 C -ATOM 280 O3' DC C 9 47.034 62.836 -30.939 1.00 51.34 O -ATOM 281 C2' DC C 9 45.014 63.518 -29.719 1.00 53.94 C -ATOM 282 C1' DC C 9 43.543 63.632 -30.101 1.00 55.00 C -ATOM 283 N1 DC C 9 42.749 62.473 -29.677 1.00 53.80 N -ATOM 284 C2 DC C 9 41.948 62.577 -28.531 1.00 55.00 C -ATOM 285 O2 DC C 9 41.933 63.659 -27.875 1.00 51.65 O -ATOM 286 N3 DC C 9 41.209 61.505 -28.160 1.00 55.00 N -ATOM 287 C4 DC C 9 41.251 60.373 -28.874 1.00 51.33 C -ATOM 288 N4 DC C 9 40.490 59.342 -28.467 1.00 50.82 N -ATOM 289 C5 DC C 9 42.063 60.246 -30.030 1.00 47.38 C -ATOM 290 C6 DC C 9 42.788 61.309 -30.393 1.00 50.58 C -TER 291 DC C 9 -ATOM 292 O5' DA D 10 47.624 63.612 -28.260 1.00 40.15 O -ATOM 293 C5' DA D 10 47.713 64.975 -27.773 1.00 41.23 C -ATOM 294 C4' DA D 10 46.511 65.414 -26.963 1.00 41.91 C -ATOM 295 O4' DA D 10 45.415 64.503 -27.278 1.00 34.07 O -ATOM 296 C3' DA D 10 46.730 65.371 -25.439 1.00 41.10 C -ATOM 297 O3' DA D 10 46.210 66.592 -24.792 1.00 47.10 O -ATOM 298 C2' DA D 10 45.982 64.101 -25.023 1.00 41.97 C -ATOM 299 C1' DA D 10 44.923 63.855 -26.101 1.00 38.41 C -ATOM 300 N9 DA D 10 44.675 62.435 -26.414 1.00 38.72 N -ATOM 301 C8 DA D 10 45.173 61.679 -27.472 1.00 40.02 C -ATOM 302 N7 DA D 10 44.754 60.422 -27.482 1.00 39.04 N -ATOM 303 C5 DA D 10 43.933 60.329 -26.356 1.00 40.81 C -ATOM 304 C6 DA D 10 43.157 59.246 -25.793 1.00 40.05 C -ATOM 305 N6 DA D 10 43.119 58.008 -26.271 1.00 40.66 N -ATOM 306 N1 DA D 10 42.421 59.506 -24.697 1.00 40.43 N -ATOM 307 C2 DA D 10 42.460 60.760 -24.175 1.00 41.52 C -ATOM 308 N3 DA D 10 43.150 61.851 -24.587 1.00 42.57 N -ATOM 309 C4 DA D 10 43.872 61.570 -25.689 1.00 42.70 C -ATOM 310 P DT D 11 46.893 67.211 -23.404 1.00 55.00 P -ATOM 311 OP1 DT D 11 46.017 68.337 -22.865 1.00 42.80 O -ATOM 312 OP2 DT D 11 48.380 67.461 -23.583 1.00 51.84 O -ATOM 313 O5' DT D 11 46.747 66.066 -22.299 1.00 53.94 O -ATOM 314 C5' DT D 11 45.460 65.552 -21.952 1.00 52.33 C -ATOM 315 C4' DT D 11 45.559 64.731 -20.697 1.00 44.09 C -ATOM 316 O4' DT D 11 45.421 63.329 -20.962 1.00 45.97 O -ATOM 317 C3' DT D 11 46.866 64.880 -19.959 1.00 46.39 C -ATOM 318 O3' DT D 11 46.407 64.961 -18.616 1.00 41.22 O -ATOM 319 C2' DT D 11 47.680 63.644 -20.388 1.00 40.78 C -ATOM 320 C1' DT D 11 46.633 62.582 -20.733 1.00 43.45 C -ATOM 321 N1 DT D 11 46.771 61.687 -21.943 1.00 38.73 N -ATOM 322 C2 DT D 11 45.775 60.732 -22.043 1.00 40.38 C -ATOM 323 O2 DT D 11 44.912 60.601 -21.210 1.00 45.18 O -ATOM 324 N3 DT D 11 45.812 59.921 -23.163 1.00 44.88 N -ATOM 325 C4 DT D 11 46.732 59.959 -24.189 1.00 48.90 C -ATOM 326 O4 DT D 11 46.609 59.153 -25.135 1.00 51.75 O -ATOM 327 C5 DT D 11 47.782 60.975 -24.031 1.00 50.82 C -ATOM 328 C7 DT D 11 48.832 61.097 -25.085 1.00 46.89 C -ATOM 329 C6 DT D 11 47.752 61.775 -22.920 1.00 48.86 C -ATOM 330 P DA D 12 47.427 65.166 -17.409 1.00 44.05 P -ATOM 331 OP1 DA D 12 46.773 66.296 -16.675 1.00 51.19 O -ATOM 332 OP2 DA D 12 48.846 65.290 -17.819 1.00 39.32 O -ATOM 333 O5' DA D 12 47.222 63.798 -16.631 1.00 41.66 O -ATOM 334 C5' DA D 12 45.897 63.395 -16.308 1.00 42.93 C -ATOM 335 C4' DA D 12 45.846 61.943 -15.907 1.00 40.30 C -ATOM 336 O4' DA D 12 46.015 61.104 -17.065 1.00 38.86 O -ATOM 337 C3' DA D 12 46.886 61.483 -14.878 1.00 36.09 C -ATOM 338 O3' DA D 12 46.159 60.565 -14.029 1.00 39.85 O -ATOM 339 C2' DA D 12 47.912 60.794 -15.755 1.00 29.38 C -ATOM 340 C1' DA D 12 46.982 60.146 -16.754 1.00 33.47 C -ATOM 341 N9 DA D 12 47.602 59.720 -17.989 1.00 37.85 N -ATOM 342 C8 DA D 12 48.522 60.341 -18.785 1.00 43.89 C -ATOM 343 N7 DA D 12 48.875 59.629 -19.823 1.00 41.94 N -ATOM 344 C5 DA D 12 48.122 58.462 -19.688 1.00 44.73 C -ATOM 345 C6 DA D 12 48.045 57.276 -20.442 1.00 50.44 C -ATOM 346 N6 DA D 12 48.771 57.045 -21.548 1.00 55.00 N -ATOM 347 N1 DA D 12 47.195 56.316 -20.021 1.00 43.24 N -ATOM 348 C2 DA D 12 46.503 56.525 -18.937 1.00 46.08 C -ATOM 349 N3 DA D 12 46.498 57.577 -18.141 1.00 48.18 N -ATOM 350 C4 DA D 12 47.339 58.519 -18.579 1.00 37.62 C -ATOM 351 P DT D 13 46.630 60.215 -12.517 1.00 37.63 P -ATOM 352 OP1 DT D 13 45.320 60.118 -11.796 1.00 40.97 O -ATOM 353 OP2 DT D 13 47.701 61.144 -11.966 1.00 22.15 O -ATOM 354 O5' DT D 13 47.057 58.681 -12.665 1.00 29.87 O -ATOM 355 C5' DT D 13 46.044 57.752 -13.089 1.00 23.04 C -ATOM 356 C4' DT D 13 46.589 56.352 -13.196 1.00 33.54 C -ATOM 357 O4' DT D 13 46.901 56.124 -14.582 1.00 27.11 O -ATOM 358 C3' DT D 13 47.851 56.097 -12.374 1.00 31.73 C -ATOM 359 O3' DT D 13 47.609 55.118 -11.307 1.00 32.77 O -ATOM 360 C2' DT D 13 48.917 55.748 -13.394 1.00 26.91 C -ATOM 361 C1' DT D 13 48.162 55.533 -14.709 1.00 37.09 C -ATOM 362 N1 DT D 13 48.866 56.080 -15.935 1.00 37.48 N -ATOM 363 C2 DT D 13 48.681 55.389 -17.089 1.00 36.31 C -ATOM 364 O2 DT D 13 47.917 54.437 -17.143 1.00 29.73 O -ATOM 365 N3 DT D 13 49.412 55.865 -18.187 1.00 39.84 N -ATOM 366 C4 DT D 13 50.278 56.982 -18.213 1.00 33.61 C -ATOM 367 O4 DT D 13 50.897 57.290 -19.284 1.00 29.75 O -ATOM 368 C5 DT D 13 50.371 57.686 -16.944 1.00 32.94 C -ATOM 369 C7 DT D 13 51.219 58.911 -16.841 1.00 30.73 C -ATOM 370 C6 DT D 13 49.678 57.204 -15.897 1.00 32.29 C -ATOM 371 P DG D 14 48.141 53.580 -11.406 1.00 34.52 P -ATOM 372 OP1 DG D 14 47.664 52.986 -10.144 1.00 43.03 O -ATOM 373 OP2 DG D 14 49.567 53.367 -11.832 1.00 34.75 O -ATOM 374 O5' DG D 14 47.186 52.961 -12.492 1.00 34.22 O -ATOM 375 C5' DG D 14 46.685 51.656 -12.361 1.00 20.60 C -ATOM 376 C4' DG D 14 47.259 50.790 -13.454 1.00 33.01 C -ATOM 377 O4' DG D 14 47.979 51.564 -14.462 1.00 35.41 O -ATOM 378 C3' DG D 14 48.234 49.764 -12.908 1.00 29.23 C -ATOM 379 O3' DG D 14 47.763 48.513 -13.393 1.00 35.76 O -ATOM 380 C2' DG D 14 49.564 50.178 -13.524 1.00 25.97 C -ATOM 381 C1' DG D 14 49.192 50.926 -14.789 1.00 28.17 C -ATOM 382 N9 DG D 14 50.184 51.952 -15.100 1.00 34.28 N -ATOM 383 C8 DG D 14 50.616 52.906 -14.226 1.00 34.34 C -ATOM 384 N7 DG D 14 51.520 53.693 -14.740 1.00 39.87 N -ATOM 385 C5 DG D 14 51.701 53.232 -16.042 1.00 35.52 C -ATOM 386 C6 DG D 14 52.591 53.677 -17.075 1.00 39.91 C -ATOM 387 O6 DG D 14 53.418 54.608 -17.053 1.00 55.00 O -ATOM 388 N1 DG D 14 52.481 52.928 -18.241 1.00 39.09 N -ATOM 389 C2 DG D 14 51.646 51.909 -18.417 1.00 44.38 C -ATOM 390 N2 DG D 14 51.727 51.366 -19.660 1.00 29.85 N -ATOM 391 N3 DG D 14 50.800 51.453 -17.458 1.00 45.72 N -ATOM 392 C4 DG D 14 50.888 52.170 -16.300 1.00 35.90 C -ATOM 393 P DT D 15 48.194 47.114 -12.700 1.00 35.88 P -ATOM 394 OP1 DT D 15 46.932 46.335 -12.890 1.00 37.64 O -ATOM 395 OP2 DT D 15 48.824 47.131 -11.354 1.00 25.79 O -ATOM 396 O5' DT D 15 49.325 46.567 -13.699 1.00 32.23 O -ATOM 397 C5' DT D 15 49.189 46.644 -15.134 1.00 31.46 C -ATOM 398 C4' DT D 15 50.328 45.904 -15.799 1.00 34.61 C -ATOM 399 O4' DT D 15 51.295 46.824 -16.398 1.00 25.68 O -ATOM 400 C3' DT D 15 51.103 45.072 -14.788 1.00 31.64 C -ATOM 401 O3' DT D 15 51.522 43.854 -15.422 1.00 40.68 O -ATOM 402 C2' DT D 15 52.257 45.992 -14.432 1.00 32.75 C -ATOM 403 C1' DT D 15 52.526 46.775 -15.722 1.00 28.85 C -ATOM 404 N1 DT D 15 53.037 48.171 -15.524 1.00 30.96 N -ATOM 405 C2 DT D 15 53.943 48.681 -16.421 1.00 32.87 C -ATOM 406 O2 DT D 15 54.319 48.061 -17.399 1.00 35.12 O -ATOM 407 N3 DT D 15 54.391 49.968 -16.132 1.00 30.06 N -ATOM 408 C4 DT D 15 54.000 50.779 -15.053 1.00 34.39 C -ATOM 409 O4 DT D 15 54.480 51.930 -14.885 1.00 32.34 O -ATOM 410 C5 DT D 15 53.046 50.202 -14.198 1.00 29.25 C -ATOM 411 C7 DT D 15 52.557 51.028 -13.072 1.00 23.55 C -ATOM 412 C6 DT D 15 52.619 48.941 -14.450 1.00 36.88 C -ATOM 413 P DC D 16 51.886 42.548 -14.537 1.00 47.56 P -ATOM 414 OP1 DC D 16 50.930 41.546 -15.049 1.00 52.01 O -ATOM 415 OP2 DC D 16 51.911 42.850 -13.066 1.00 39.57 O -ATOM 416 O5' DC D 16 53.354 42.173 -15.069 1.00 43.85 O -ATOM 417 C5' DC D 16 53.968 43.038 -16.048 1.00 45.50 C -ATOM 418 C4' DC D 16 55.329 42.566 -16.521 1.00 41.40 C -ATOM 419 O4' DC D 16 55.842 43.779 -17.142 1.00 40.11 O -ATOM 420 C3' DC D 16 56.379 42.159 -15.469 1.00 42.83 C -ATOM 421 O3' DC D 16 56.617 40.705 -15.443 1.00 50.50 O -ATOM 422 C2' DC D 16 57.626 42.945 -15.872 1.00 43.83 C -ATOM 423 C1' DC D 16 57.063 44.199 -16.542 1.00 43.62 C -ATOM 424 N1 DC D 16 56.781 45.377 -15.651 1.00 48.11 N -ATOM 425 C2 DC D 16 56.961 46.695 -16.157 1.00 49.75 C -ATOM 426 O2 DC D 16 57.343 46.843 -17.334 1.00 52.85 O -ATOM 427 N3 DC D 16 56.705 47.765 -15.344 1.00 47.43 N -ATOM 428 C4 DC D 16 56.288 47.569 -14.094 1.00 47.79 C -ATOM 429 N4 DC D 16 56.049 48.633 -13.353 1.00 48.62 N -ATOM 430 C5 DC D 16 56.097 46.262 -13.551 1.00 48.58 C -ATOM 431 C6 DC D 16 56.351 45.207 -14.352 1.00 47.19 C -ATOM 432 P DA D 17 57.265 39.990 -14.116 1.00 50.88 P -ATOM 433 OP1 DA D 17 57.140 38.503 -14.120 1.00 52.42 O -ATOM 434 OP2 DA D 17 56.800 40.755 -12.911 1.00 53.33 O -ATOM 435 O5' DA D 17 58.823 40.250 -14.254 1.00 47.97 O -ATOM 436 C5' DA D 17 59.486 40.108 -15.506 1.00 50.60 C -ATOM 437 C4' DA D 17 60.971 40.244 -15.279 1.00 54.94 C -ATOM 438 O4' DA D 17 61.309 41.644 -15.121 1.00 53.71 O -ATOM 439 C3' DA D 17 61.360 39.544 -13.981 1.00 51.07 C -ATOM 440 O3' DA D 17 62.073 38.361 -14.358 1.00 55.00 O -ATOM 441 C2' DA D 17 62.175 40.569 -13.204 1.00 47.55 C -ATOM 442 C1' DA D 17 61.807 41.915 -13.816 1.00 50.35 C -ATOM 443 N9 DA D 17 60.813 42.765 -13.133 1.00 53.31 N -ATOM 444 C8 DA D 17 59.602 42.451 -12.564 1.00 51.71 C -ATOM 445 N7 DA D 17 58.974 43.490 -12.051 1.00 48.20 N -ATOM 446 C5 DA D 17 59.828 44.558 -12.296 1.00 49.79 C -ATOM 447 C6 DA D 17 59.745 45.973 -12.026 1.00 48.14 C -ATOM 448 N6 DA D 17 58.717 46.617 -11.406 1.00 53.16 N -ATOM 449 N1 DA D 17 60.784 46.730 -12.432 1.00 50.75 N -ATOM 450 C2 DA D 17 61.818 46.140 -13.058 1.00 55.00 C -ATOM 451 N3 DA D 17 62.003 44.864 -13.366 1.00 55.00 N -ATOM 452 C4 DA D 17 60.967 44.120 -12.956 1.00 53.56 C -ATOM 453 P DC D 18 62.881 37.531 -13.257 1.00 55.00 P -ATOM 454 OP1 DC D 18 63.806 36.569 -13.918 1.00 55.00 O -ATOM 455 OP2 DC D 18 61.792 37.023 -12.363 1.00 55.00 O -ATOM 456 O5' DC D 18 63.725 38.668 -12.481 1.00 55.00 O -ATOM 457 C5' DC D 18 64.720 39.484 -13.160 1.00 55.00 C -ATOM 458 C4' DC D 18 65.301 40.571 -12.257 1.00 55.00 C -ATOM 459 O4' DC D 18 64.345 41.579 -11.831 1.00 55.00 O -ATOM 460 C3' DC D 18 66.076 40.169 -10.994 1.00 55.00 C -ATOM 461 O3' DC D 18 67.376 40.771 -11.129 1.00 55.00 O -ATOM 462 C2' DC D 18 65.303 40.845 -9.857 1.00 51.99 C -ATOM 463 C1' DC D 18 64.743 42.076 -10.550 1.00 55.00 C -ATOM 464 N1 DC D 18 63.562 42.707 -9.910 1.00 55.00 N -ATOM 465 C2 DC D 18 63.568 44.106 -9.608 1.00 51.80 C -ATOM 466 O2 DC D 18 64.563 44.800 -9.870 1.00 52.18 O -ATOM 467 N3 DC D 18 62.487 44.665 -9.035 1.00 49.03 N -ATOM 468 C4 DC D 18 61.425 43.911 -8.750 1.00 55.00 C -ATOM 469 N4 DC D 18 60.380 44.507 -8.169 1.00 55.00 N -ATOM 470 C5 DC D 18 61.388 42.509 -9.043 1.00 54.12 C -ATOM 471 C6 DC D 18 62.465 41.955 -9.613 1.00 53.62 C -ATOM 472 P DA D 19 68.687 40.114 -10.431 1.00 55.00 P -ATOM 473 OP1 DA D 19 69.500 39.617 -11.583 1.00 55.00 O -ATOM 474 OP2 DA D 19 68.295 39.146 -9.339 1.00 55.00 O -ATOM 475 O5' DA D 19 69.436 41.395 -9.753 1.00 55.00 O -ATOM 476 C5' DA D 19 70.018 42.508 -10.539 1.00 55.00 C -ATOM 477 C4' DA D 19 70.291 43.743 -9.682 1.00 51.18 C -ATOM 478 O4' DA D 19 69.052 44.281 -9.155 1.00 50.47 O -ATOM 479 C3' DA D 19 71.180 43.592 -8.442 1.00 53.79 C -ATOM 480 O3' DA D 19 71.855 44.860 -8.195 1.00 50.52 O -ATOM 481 C2' DA D 19 70.168 43.222 -7.356 1.00 45.35 C -ATOM 482 C1' DA D 19 68.963 44.086 -7.718 1.00 47.95 C -ATOM 483 N9 DA D 19 67.600 43.579 -7.403 1.00 47.99 N -ATOM 484 C8 DA D 19 67.112 42.280 -7.331 1.00 43.37 C -ATOM 485 N7 DA D 19 65.819 42.211 -7.053 1.00 42.86 N -ATOM 486 C5 DA D 19 65.434 43.543 -6.932 1.00 46.50 C -ATOM 487 C6 DA D 19 64.194 44.152 -6.688 1.00 43.94 C -ATOM 488 N6 DA D 19 63.060 43.485 -6.494 1.00 46.00 N -ATOM 489 N1 DA D 19 64.149 45.503 -6.651 1.00 47.67 N -ATOM 490 C2 DA D 19 65.282 46.199 -6.845 1.00 46.77 C -ATOM 491 N3 DA D 19 66.496 45.750 -7.088 1.00 55.00 N -ATOM 492 C4 DA D 19 66.513 44.396 -7.127 1.00 51.00 C -ATOM 493 P DC D 20 71.782 45.583 -6.725 1.00 55.00 P -ATOM 494 OP1 DC D 20 72.849 46.633 -6.709 1.00 50.91 O -ATOM 495 OP2 DC D 20 71.733 44.569 -5.607 1.00 54.46 O -ATOM 496 O5' DC D 20 70.374 46.362 -6.683 1.00 54.73 O -ATOM 497 C5' DC D 20 70.238 47.710 -7.197 1.00 54.18 C -ATOM 498 C4' DC D 20 69.470 48.622 -6.247 1.00 55.00 C -ATOM 499 O4' DC D 20 68.151 48.087 -5.925 1.00 55.00 O -ATOM 500 C3' DC D 20 70.163 48.947 -4.917 1.00 55.00 C -ATOM 501 O3' DC D 20 70.024 50.339 -4.587 1.00 55.00 O -ATOM 502 C2' DC D 20 69.410 48.117 -3.899 1.00 55.00 C -ATOM 503 C1' DC D 20 68.015 47.916 -4.509 1.00 55.00 C -ATOM 504 N1 DC D 20 67.541 46.535 -4.230 1.00 55.00 N -ATOM 505 C2 DC D 20 66.580 46.357 -3.257 1.00 54.91 C -ATOM 506 O2 DC D 20 66.142 47.354 -2.675 1.00 54.11 O -ATOM 507 N3 DC D 20 66.146 45.093 -2.962 1.00 53.87 N -ATOM 508 C4 DC D 20 66.654 44.033 -3.611 1.00 52.79 C -ATOM 509 N4 DC D 20 66.201 42.805 -3.284 1.00 46.47 N -ATOM 510 C5 DC D 20 67.639 44.185 -4.619 1.00 53.77 C -ATOM 511 C6 DC D 20 68.050 45.443 -4.900 1.00 55.00 C -ATOM 512 P DT D 21 71.349 51.237 -4.340 1.00 55.00 P -ATOM 513 OP1 DT D 21 71.080 52.675 -4.656 1.00 55.00 O -ATOM 514 OP2 DT D 21 72.436 50.523 -5.060 1.00 55.00 O -ATOM 515 O5' DT D 21 71.581 51.181 -2.754 1.00 55.00 O -ATOM 516 C5' DT D 21 70.648 50.509 -1.877 1.00 55.00 C -ATOM 517 C4' DT D 21 69.353 51.288 -1.725 1.00 53.47 C -ATOM 518 O4' DT D 21 68.269 50.356 -1.985 1.00 45.29 O -ATOM 519 C3' DT D 21 69.132 51.821 -0.294 1.00 50.57 C -ATOM 520 O3' DT D 21 68.418 53.056 -0.162 1.00 48.03 O -ATOM 521 C2' DT D 21 68.217 50.815 0.360 1.00 44.89 C -ATOM 522 C1' DT D 21 67.470 50.164 -0.793 1.00 52.73 C -ATOM 523 N1 DT D 21 67.497 48.771 -0.422 1.00 51.45 N -ATOM 524 C2 DT D 21 66.672 48.363 0.611 1.00 54.31 C -ATOM 525 O2 DT D 21 65.925 49.113 1.192 1.00 52.35 O -ATOM 526 N3 DT D 21 66.763 47.051 0.943 1.00 53.29 N -ATOM 527 C4 DT D 21 67.578 46.118 0.362 1.00 55.00 C -ATOM 528 O4 DT D 21 67.545 44.972 0.776 1.00 52.90 O -ATOM 529 C5 DT D 21 68.436 46.620 -0.742 1.00 55.00 C -ATOM 530 C7 DT D 21 69.384 45.692 -1.451 1.00 55.00 C -ATOM 531 C6 DT D 21 68.333 47.908 -1.067 1.00 55.00 C -ATOM 532 P DT D 22 68.253 53.679 1.316 1.00 49.59 P -ATOM 533 OP1 DT D 22 68.957 54.996 1.229 1.00 53.20 O -ATOM 534 OP2 DT D 22 68.737 52.641 2.294 1.00 52.51 O -ATOM 535 O5' DT D 22 66.702 53.944 1.661 1.00 45.11 O -ATOM 536 C5' DT D 22 65.685 52.982 1.408 1.00 43.34 C -ATOM 537 C4' DT D 22 65.109 52.358 2.669 1.00 37.37 C -ATOM 538 O4' DT D 22 65.516 50.978 2.621 1.00 47.19 O -ATOM 539 C3' DT D 22 65.387 52.816 4.118 1.00 36.43 C -ATOM 540 O3' DT D 22 64.163 52.776 4.859 1.00 28.16 O -ATOM 541 C2' DT D 22 66.218 51.675 4.691 1.00 41.19 C -ATOM 542 C1' DT D 22 65.635 50.506 3.941 1.00 46.69 C -ATOM 543 N1 DT D 22 66.456 49.288 3.912 1.00 47.59 N -ATOM 544 C2 DT D 22 65.896 48.140 4.438 1.00 45.60 C -ATOM 545 O2 DT D 22 64.774 48.110 4.905 1.00 41.73 O -ATOM 546 N3 DT D 22 66.697 47.032 4.397 1.00 41.54 N -ATOM 547 C4 DT D 22 67.978 46.954 3.893 1.00 44.41 C -ATOM 548 O4 DT D 22 68.587 45.869 3.937 1.00 37.35 O -ATOM 549 C5 DT D 22 68.506 48.214 3.342 1.00 49.96 C -ATOM 550 C7 DT D 22 69.886 48.243 2.759 1.00 44.67 C -ATOM 551 C6 DT D 22 67.723 49.298 3.384 1.00 46.06 C -ATOM 552 P DT D 23 64.136 53.102 6.438 1.00 30.14 P -ATOM 553 OP1 DT D 23 63.002 53.996 6.721 1.00 33.73 O -ATOM 554 OP2 DT D 23 65.479 53.374 7.043 1.00 26.43 O -ATOM 555 O5' DT D 23 63.574 51.803 7.119 1.00 32.66 O -ATOM 556 C5' DT D 23 62.265 51.408 6.852 1.00 27.71 C -ATOM 557 C4' DT D 23 62.073 50.019 7.381 1.00 29.70 C -ATOM 558 O4' DT D 23 63.121 49.183 6.843 1.00 27.87 O -ATOM 559 C3' DT D 23 62.231 49.961 8.896 1.00 29.01 C -ATOM 560 O3' DT D 23 61.095 49.263 9.374 1.00 28.89 O -ATOM 561 C2' DT D 23 63.515 49.178 9.113 1.00 25.76 C -ATOM 562 C1' DT D 23 63.553 48.330 7.869 1.00 28.79 C -ATOM 563 N1 DT D 23 64.885 47.842 7.529 1.00 23.69 N -ATOM 564 C2 DT D 23 65.082 46.487 7.441 1.00 25.02 C -ATOM 565 O2 DT D 23 64.187 45.652 7.618 1.00 21.80 O -ATOM 566 N3 DT D 23 66.342 46.121 7.152 1.00 13.78 N -ATOM 567 C4 DT D 23 67.397 46.933 6.966 1.00 25.71 C -ATOM 568 O4 DT D 23 68.498 46.449 6.756 1.00 21.25 O -ATOM 569 C5 DT D 23 67.123 48.343 7.050 1.00 29.34 C -ATOM 570 C7 DT D 23 68.238 49.322 6.829 1.00 27.25 C -ATOM 571 C6 DT D 23 65.889 48.719 7.324 1.00 27.44 C -ATOM 572 P DT D 24 60.906 48.976 10.950 1.00 45.19 P -ATOM 573 OP1 DT D 24 59.441 49.265 11.231 1.00 39.14 O -ATOM 574 OP2 DT D 24 61.973 49.682 11.755 1.00 35.46 O -ATOM 575 O5' DT D 24 61.155 47.400 11.043 1.00 41.50 O -ATOM 576 C5' DT D 24 60.261 46.509 10.396 1.00 47.88 C -ATOM 577 C4' DT D 24 60.825 45.111 10.372 1.00 47.86 C -ATOM 578 O4' DT D 24 62.109 45.167 9.716 1.00 52.37 O -ATOM 579 C3' DT D 24 61.119 44.541 11.751 1.00 46.21 C -ATOM 580 O3' DT D 24 59.989 43.851 12.280 1.00 40.45 O -ATOM 581 C2' DT D 24 62.247 43.566 11.481 1.00 48.38 C -ATOM 582 C1' DT D 24 62.933 44.136 10.258 1.00 48.35 C -ATOM 583 N1 DT D 24 64.276 44.682 10.479 1.00 44.35 N -ATOM 584 C2 DT D 24 65.343 43.799 10.361 1.00 46.14 C -ATOM 585 O2 DT D 24 65.233 42.588 10.132 1.00 43.07 O -ATOM 586 N3 DT D 24 66.555 44.381 10.526 1.00 49.95 N -ATOM 587 C4 DT D 24 66.807 45.733 10.814 1.00 42.83 C -ATOM 588 O4 DT D 24 67.958 46.144 10.939 1.00 37.01 O -ATOM 589 C5 DT D 24 65.681 46.569 10.948 1.00 50.44 C -ATOM 590 C7 DT D 24 65.917 48.008 11.275 1.00 46.54 C -ATOM 591 C6 DT D 24 64.472 46.018 10.774 1.00 55.00 C -ATOM 592 P DC D 25 59.823 43.757 13.862 1.00 45.23 P -ATOM 593 OP1 DC D 25 58.552 43.027 14.152 1.00 51.17 O -ATOM 594 OP2 DC D 25 60.052 45.094 14.466 1.00 55.00 O -ATOM 595 O5' DC D 25 61.082 42.915 14.316 1.00 43.40 O -ATOM 596 C5' DC D 25 61.259 41.597 13.863 1.00 44.90 C -ATOM 597 C4' DC D 25 62.596 41.073 14.327 1.00 48.98 C -ATOM 598 O4' DC D 25 63.644 41.993 13.944 1.00 49.36 O -ATOM 599 C3' DC D 25 62.752 40.851 15.838 1.00 55.00 C -ATOM 600 O3' DC D 25 63.248 39.495 16.003 1.00 55.00 O -ATOM 601 C2' DC D 25 63.778 41.910 16.252 1.00 49.00 C -ATOM 602 C1' DC D 25 64.600 42.047 14.978 1.00 48.81 C -ATOM 603 N1 DC D 25 65.363 43.291 14.797 1.00 48.40 N -ATOM 604 C2 DC D 25 66.620 43.227 14.136 1.00 46.96 C -ATOM 605 O2 DC D 25 67.067 42.118 13.721 1.00 41.01 O -ATOM 606 N3 DC D 25 67.318 44.357 13.966 1.00 45.61 N -ATOM 607 C4 DC D 25 66.806 45.518 14.418 1.00 45.62 C -ATOM 608 N4 DC D 25 67.531 46.619 14.210 1.00 40.43 N -ATOM 609 C5 DC D 25 65.551 45.599 15.087 1.00 45.76 C -ATOM 610 C6 DC D 25 64.873 44.484 15.253 1.00 42.16 C -ATOM 611 P DG D 26 62.654 38.505 17.163 1.00 49.77 P -ATOM 612 OP1 DG D 26 61.433 37.732 16.764 1.00 52.71 O -ATOM 613 OP2 DG D 26 62.610 39.303 18.437 1.00 55.00 O -ATOM 614 O5' DG D 26 63.794 37.398 17.153 1.00 47.44 O -ATOM 615 C5' DG D 26 64.187 36.792 15.925 1.00 42.09 C -ATOM 616 C4' DG D 26 65.614 36.362 16.046 1.00 43.60 C -ATOM 617 O4' DG D 26 66.473 37.546 16.005 1.00 51.40 O -ATOM 618 C3' DG D 26 65.827 35.763 17.424 1.00 43.50 C -ATOM 619 O3' DG D 26 66.828 34.741 17.320 1.00 52.09 O -ATOM 620 C2' DG D 26 66.255 36.976 18.265 1.00 47.87 C -ATOM 621 C1' DG D 26 67.109 37.773 17.286 1.00 48.54 C -ATOM 622 N9 DG D 26 67.250 39.228 17.427 1.00 38.12 N -ATOM 623 C8 DG D 26 66.246 40.140 17.640 1.00 43.80 C -ATOM 624 N7 DG D 26 66.661 41.380 17.642 1.00 36.92 N -ATOM 625 C5 DG D 26 68.033 41.284 17.435 1.00 41.01 C -ATOM 626 C6 DG D 26 69.063 42.328 17.270 1.00 44.75 C -ATOM 627 O6 DG D 26 68.950 43.573 17.314 1.00 47.53 O -ATOM 628 N1 DG D 26 70.312 41.778 17.032 1.00 43.50 N -ATOM 629 C2 DG D 26 70.570 40.445 16.958 1.00 42.91 C -ATOM 630 N2 DG D 26 71.853 40.155 16.729 1.00 53.81 N -ATOM 631 N3 DG D 26 69.652 39.471 17.097 1.00 35.37 N -ATOM 632 C4 DG D 26 68.418 39.958 17.325 1.00 36.11 C -TER 633 DG D 26 -ATOM 634 O5' DG E 27 76.815 50.937 20.413 1.00 52.03 O -ATOM 635 C5' DG E 27 76.054 50.947 19.139 1.00 53.94 C -ATOM 636 C4' DG E 27 75.889 49.574 18.513 1.00 51.38 C -ATOM 637 O4' DG E 27 74.911 48.814 19.274 1.00 46.86 O -ATOM 638 C3' DG E 27 75.394 49.567 17.056 1.00 51.37 C -ATOM 639 O3' DG E 27 75.926 48.411 16.350 1.00 50.51 O -ATOM 640 C2' DG E 27 73.899 49.383 17.243 1.00 43.52 C -ATOM 641 C1' DG E 27 73.922 48.381 18.380 1.00 44.32 C -ATOM 642 N9 DG E 27 72.671 48.258 19.097 1.00 45.59 N -ATOM 643 C8 DG E 27 71.886 49.247 19.620 1.00 44.53 C -ATOM 644 N7 DG E 27 70.800 48.789 20.181 1.00 42.86 N -ATOM 645 C5 DG E 27 70.888 47.416 20.018 1.00 44.90 C -ATOM 646 C6 DG E 27 69.997 46.398 20.364 1.00 40.74 C -ATOM 647 O6 DG E 27 68.912 46.488 20.927 1.00 37.40 O -ATOM 648 N1 DG E 27 70.472 45.144 19.975 1.00 48.90 N -ATOM 649 C2 DG E 27 71.645 44.910 19.330 1.00 43.29 C -ATOM 650 N2 DG E 27 71.934 43.644 19.044 1.00 46.92 N -ATOM 651 N3 DG E 27 72.481 45.855 18.991 1.00 48.53 N -ATOM 652 C4 DG E 27 72.041 47.079 19.362 1.00 48.50 C -ATOM 653 P DC E 26 77.243 48.546 15.372 1.00 55.00 P -ATOM 654 OP1 DC E 26 78.447 49.313 15.988 1.00 49.85 O -ATOM 655 OP2 DC E 26 76.668 48.997 14.044 1.00 51.68 O -ATOM 656 O5' DC E 26 77.710 47.015 15.131 1.00 55.00 O -ATOM 657 C5' DC E 26 77.827 46.054 16.232 1.00 55.00 C -ATOM 658 C4' DC E 26 77.505 44.639 15.778 1.00 51.81 C -ATOM 659 O4' DC E 26 76.285 44.147 16.368 1.00 51.44 O -ATOM 660 C3' DC E 26 77.301 44.546 14.290 1.00 49.35 C -ATOM 661 O3' DC E 26 78.538 44.108 13.821 1.00 54.36 O -ATOM 662 C2' DC E 26 76.171 43.547 14.091 1.00 48.19 C -ATOM 663 C1' DC E 26 75.409 43.551 15.403 1.00 49.02 C -ATOM 664 N1 DC E 26 74.121 44.276 15.515 1.00 51.88 N -ATOM 665 C2 DC E 26 73.000 43.598 16.103 1.00 53.04 C -ATOM 666 O2 DC E 26 73.110 42.407 16.459 1.00 47.84 O -ATOM 667 N3 DC E 26 71.828 44.278 16.261 1.00 52.98 N -ATOM 668 C4 DC E 26 71.730 45.558 15.859 1.00 51.67 C -ATOM 669 N4 DC E 26 70.567 46.165 16.047 1.00 43.98 N -ATOM 670 C5 DC E 26 72.830 46.257 15.249 1.00 49.23 C -ATOM 671 C6 DC E 26 73.993 45.583 15.094 1.00 50.39 C -ATOM 672 P DG E 25 79.173 44.843 12.573 1.00 55.00 P -ATOM 673 OP1 DG E 25 80.584 44.328 12.444 1.00 55.00 O -ATOM 674 OP2 DG E 25 78.966 46.306 12.897 1.00 55.00 O -ATOM 675 O5' DG E 25 78.196 44.364 11.359 1.00 55.00 O -ATOM 676 C5' DG E 25 78.478 43.209 10.495 1.00 52.26 C -ATOM 677 C4' DG E 25 77.452 42.082 10.656 1.00 54.91 C -ATOM 678 O4' DG E 25 76.352 42.332 11.592 1.00 52.47 O -ATOM 679 C3' DG E 25 76.787 41.631 9.357 1.00 52.97 C -ATOM 680 O3' DG E 25 76.872 40.204 9.195 1.00 55.00 O -ATOM 681 C2' DG E 25 75.325 42.029 9.526 1.00 46.88 C -ATOM 682 C1' DG E 25 75.059 42.062 11.019 1.00 45.56 C -ATOM 683 N9 DG E 25 74.155 43.181 11.354 1.00 49.90 N -ATOM 684 C8 DG E 25 74.374 44.512 10.982 1.00 48.23 C -ATOM 685 N7 DG E 25 73.428 45.341 11.395 1.00 54.11 N -ATOM 686 C5 DG E 25 72.508 44.523 12.092 1.00 53.48 C -ATOM 687 C6 DG E 25 71.237 44.842 12.755 1.00 51.42 C -ATOM 688 O6 DG E 25 70.631 45.910 12.948 1.00 54.79 O -ATOM 689 N1 DG E 25 70.590 43.717 13.342 1.00 51.03 N -ATOM 690 C2 DG E 25 71.130 42.430 13.246 1.00 48.33 C -ATOM 691 N2 DG E 25 70.361 41.479 13.843 1.00 51.08 N -ATOM 692 N3 DG E 25 72.305 42.100 12.630 1.00 55.00 N -ATOM 693 C4 DG E 25 72.933 43.175 12.079 1.00 55.00 C -ATOM 694 P DA E 24 75.959 39.437 8.054 1.00 55.00 P -ATOM 695 OP1 DA E 24 76.876 38.575 7.240 1.00 55.00 O -ATOM 696 OP2 DA E 24 74.999 40.347 7.343 1.00 55.00 O -ATOM 697 O5' DA E 24 74.998 38.491 8.907 1.00 55.00 O -ATOM 698 C5' DA E 24 74.545 37.267 8.371 1.00 49.21 C -ATOM 699 C4' DA E 24 73.080 37.354 8.023 1.00 53.41 C -ATOM 700 O4' DA E 24 72.543 38.610 8.503 1.00 55.00 O -ATOM 701 C3' DA E 24 72.777 37.314 6.525 1.00 53.84 C -ATOM 702 O3' DA E 24 72.005 36.138 6.223 1.00 55.00 O -ATOM 703 C2' DA E 24 71.991 38.601 6.269 1.00 51.21 C -ATOM 704 C1' DA E 24 71.495 39.001 7.641 1.00 53.09 C -ATOM 705 N9 DA E 24 71.258 40.434 7.851 1.00 51.31 N -ATOM 706 C8 DA E 24 71.943 41.479 7.286 1.00 50.95 C -ATOM 707 N7 DA E 24 71.514 42.663 7.669 1.00 50.11 N -ATOM 708 C5 DA E 24 70.476 42.382 8.549 1.00 49.64 C -ATOM 709 C6 DA E 24 69.595 43.218 9.293 1.00 46.44 C -ATOM 710 N6 DA E 24 69.656 44.541 9.291 1.00 45.03 N -ATOM 711 N1 DA E 24 68.649 42.627 10.048 1.00 45.59 N -ATOM 712 C2 DA E 24 68.590 41.290 10.062 1.00 47.74 C -ATOM 713 N3 DA E 24 69.356 40.395 9.419 1.00 50.88 N -ATOM 714 C4 DA E 24 70.296 41.013 8.669 1.00 52.45 C -ATOM 715 P DA E 23 71.714 35.715 4.677 1.00 54.54 P -ATOM 716 OP1 DA E 23 72.718 34.754 4.100 1.00 49.35 O -ATOM 717 OP2 DA E 23 71.403 36.956 3.919 1.00 55.00 O -ATOM 718 O5' DA E 23 70.316 34.963 4.838 1.00 55.00 O -ATOM 719 C5' DA E 23 69.127 35.548 4.284 1.00 55.00 C -ATOM 720 C4' DA E 23 68.169 35.984 5.370 1.00 55.00 C -ATOM 721 O4' DA E 23 68.656 37.171 6.062 1.00 55.00 O -ATOM 722 C3' DA E 23 66.821 36.393 4.764 1.00 55.00 C -ATOM 723 O3' DA E 23 65.731 36.062 5.641 1.00 53.81 O -ATOM 724 C2' DA E 23 66.940 37.894 4.704 1.00 51.47 C -ATOM 725 C1' DA E 23 67.585 38.100 6.055 1.00 55.00 C -ATOM 726 N9 DA E 23 68.118 39.441 6.145 1.00 52.72 N -ATOM 727 C8 DA E 23 69.365 39.874 5.813 1.00 54.03 C -ATOM 728 N7 DA E 23 69.536 41.161 5.982 1.00 53.57 N -ATOM 729 C5 DA E 23 68.306 41.601 6.463 1.00 54.44 C -ATOM 730 C6 DA E 23 67.842 42.879 6.823 1.00 53.98 C -ATOM 731 N6 DA E 23 68.618 43.955 6.763 1.00 45.51 N -ATOM 732 N1 DA E 23 66.557 43.000 7.249 1.00 53.50 N -ATOM 733 C2 DA E 23 65.801 41.870 7.314 1.00 50.02 C -ATOM 734 N3 DA E 23 66.139 40.608 7.005 1.00 47.55 N -ATOM 735 C4 DA E 23 67.423 40.547 6.576 1.00 51.14 C -ATOM 736 P DA E 22 64.302 35.689 5.007 1.00 53.92 P -ATOM 737 OP1 DA E 22 63.736 34.474 5.679 1.00 49.17 O -ATOM 738 OP2 DA E 22 64.476 35.720 3.504 1.00 51.84 O -ATOM 739 O5' DA E 22 63.365 36.935 5.359 1.00 55.00 O -ATOM 740 C5' DA E 22 63.127 37.367 6.715 1.00 46.95 C -ATOM 741 C4' DA E 22 62.418 38.710 6.735 1.00 45.04 C -ATOM 742 O4' DA E 22 63.347 39.798 6.439 1.00 47.43 O -ATOM 743 C3' DA E 22 61.279 38.817 5.729 1.00 38.46 C -ATOM 744 O3' DA E 22 60.065 39.212 6.372 1.00 38.57 O -ATOM 745 C2' DA E 22 61.767 39.813 4.677 1.00 47.54 C -ATOM 746 C1' DA E 22 62.889 40.611 5.347 1.00 47.32 C -ATOM 747 N9 DA E 22 64.064 40.975 4.511 1.00 44.09 N -ATOM 748 C8 DA E 22 64.814 40.206 3.639 1.00 43.81 C -ATOM 749 N7 DA E 22 65.809 40.852 3.078 1.00 34.03 N -ATOM 750 C5 DA E 22 65.714 42.126 3.599 1.00 35.70 C -ATOM 751 C6 DA E 22 66.490 43.303 3.408 1.00 42.53 C -ATOM 752 N6 DA E 22 67.561 43.378 2.626 1.00 31.47 N -ATOM 753 N1 DA E 22 66.115 44.416 4.078 1.00 45.66 N -ATOM 754 C2 DA E 22 65.041 44.339 4.896 1.00 49.43 C -ATOM 755 N3 DA E 22 64.248 43.300 5.167 1.00 41.35 N -ATOM 756 C4 DA E 22 64.640 42.221 4.480 1.00 42.45 C -ATOM 757 P DA E 21 58.670 39.179 5.549 1.00 44.62 P -ATOM 758 OP1 DA E 21 57.556 38.836 6.486 1.00 32.06 O -ATOM 759 OP2 DA E 21 58.857 38.382 4.286 1.00 46.37 O -ATOM 760 O5' DA E 21 58.475 40.712 5.107 1.00 42.28 O -ATOM 761 C5' DA E 21 59.597 41.523 4.708 1.00 38.93 C -ATOM 762 C4' DA E 21 59.318 42.993 4.955 1.00 41.83 C -ATOM 763 O4' DA E 21 60.555 43.697 4.734 1.00 32.73 O -ATOM 764 C3' DA E 21 58.295 43.629 3.997 1.00 41.75 C -ATOM 765 O3' DA E 21 57.548 44.734 4.575 1.00 39.58 O -ATOM 766 C2' DA E 21 59.157 44.133 2.869 1.00 39.30 C -ATOM 767 C1' DA E 21 60.468 44.469 3.546 1.00 39.63 C -ATOM 768 N9 DA E 21 61.565 44.068 2.695 1.00 38.52 N -ATOM 769 C8 DA E 21 61.926 42.789 2.346 1.00 38.92 C -ATOM 770 N7 DA E 21 62.978 42.730 1.564 1.00 43.30 N -ATOM 771 C5 DA E 21 63.326 44.063 1.383 1.00 38.01 C -ATOM 772 C6 DA E 21 64.335 44.671 0.640 1.00 38.24 C -ATOM 773 N6 DA E 21 65.220 43.983 -0.069 1.00 37.92 N -ATOM 774 N1 DA E 21 64.398 46.027 0.648 1.00 37.53 N -ATOM 775 C2 DA E 21 63.490 46.703 1.367 1.00 42.33 C -ATOM 776 N3 DA E 21 62.477 46.234 2.116 1.00 41.43 N -ATOM 777 C4 DA E 21 62.456 44.894 2.077 1.00 41.22 C -ATOM 778 P DG E 20 56.496 45.563 3.651 1.00 35.88 P -ATOM 779 OP1 DG E 20 55.614 46.437 4.478 1.00 31.43 O -ATOM 780 OP2 DG E 20 55.882 44.663 2.625 1.00 35.43 O -ATOM 781 O5' DG E 20 57.478 46.525 2.901 1.00 29.98 O -ATOM 782 C5' DG E 20 58.003 47.636 3.583 1.00 34.54 C -ATOM 783 C4' DG E 20 58.814 48.442 2.615 1.00 33.02 C -ATOM 784 O4' DG E 20 59.779 47.534 2.041 1.00 34.59 O -ATOM 785 C3' DG E 20 58.001 48.962 1.445 1.00 28.18 C -ATOM 786 O3' DG E 20 58.368 50.304 1.267 1.00 31.84 O -ATOM 787 C2' DG E 20 58.427 48.090 0.274 1.00 24.01 C -ATOM 788 C1' DG E 20 59.843 47.766 0.673 1.00 33.70 C -ATOM 789 N9 DG E 20 60.511 46.625 0.038 1.00 39.70 N -ATOM 790 C8 DG E 20 60.160 45.310 0.064 1.00 41.86 C -ATOM 791 N7 DG E 20 60.971 44.562 -0.622 1.00 40.21 N -ATOM 792 C5 DG E 20 61.912 45.439 -1.129 1.00 39.46 C -ATOM 793 C6 DG E 20 63.023 45.219 -1.978 1.00 42.77 C -ATOM 794 O6 DG E 20 63.435 44.136 -2.462 1.00 48.02 O -ATOM 795 N1 DG E 20 63.694 46.413 -2.267 1.00 47.66 N -ATOM 796 C2 DG E 20 63.346 47.647 -1.798 1.00 43.49 C -ATOM 797 N2 DG E 20 64.090 48.708 -2.155 1.00 41.39 N -ATOM 798 N3 DG E 20 62.322 47.846 -1.018 1.00 51.55 N -ATOM 799 C4 DG E 20 61.650 46.708 -0.727 1.00 43.30 C -ATOM 800 P DT E 19 57.518 51.213 0.287 1.00 37.34 P -ATOM 801 OP1 DT E 19 57.389 52.564 0.903 1.00 34.68 O -ATOM 802 OP2 DT E 19 56.285 50.421 -0.010 1.00 32.52 O -ATOM 803 O5' DT E 19 58.517 51.354 -0.946 1.00 35.58 O -ATOM 804 C5' DT E 19 59.918 51.272 -0.690 1.00 37.61 C -ATOM 805 C4' DT E 19 60.731 51.616 -1.914 1.00 36.56 C -ATOM 806 O4' DT E 19 61.488 50.495 -2.457 1.00 36.16 O -ATOM 807 C3' DT E 19 59.941 52.190 -3.054 1.00 31.27 C -ATOM 808 O3' DT E 19 60.782 53.199 -3.511 1.00 35.91 O -ATOM 809 C2' DT E 19 59.875 51.040 -4.044 1.00 32.28 C -ATOM 810 C1' DT E 19 61.204 50.309 -3.831 1.00 34.74 C -ATOM 811 N1 DT E 19 61.139 48.823 -4.108 1.00 39.24 N -ATOM 812 C2 DT E 19 62.056 48.231 -4.969 1.00 39.34 C -ATOM 813 O2 DT E 19 62.968 48.836 -5.511 1.00 33.32 O -ATOM 814 N3 DT E 19 61.864 46.875 -5.172 1.00 39.91 N -ATOM 815 C4 DT E 19 60.905 46.074 -4.622 1.00 37.40 C -ATOM 816 O4 DT E 19 60.866 44.887 -4.925 1.00 38.10 O -ATOM 817 C5 DT E 19 59.999 46.742 -3.713 1.00 35.96 C -ATOM 818 C7 DT E 19 58.931 45.956 -3.036 1.00 41.93 C -ATOM 819 C6 DT E 19 60.158 48.058 -3.510 1.00 34.58 C -ATOM 820 P DG E 18 60.270 54.206 -4.605 1.00 42.65 P -ATOM 821 OP1 DG E 18 60.467 55.571 -4.029 1.00 41.97 O -ATOM 822 OP2 DG E 18 58.901 53.746 -4.944 1.00 47.76 O -ATOM 823 O5' DG E 18 61.246 53.943 -5.856 1.00 38.01 O -ATOM 824 C5' DG E 18 62.638 54.190 -5.723 1.00 38.48 C -ATOM 825 C4' DG E 18 63.356 54.187 -7.058 1.00 46.55 C -ATOM 826 O4' DG E 18 63.450 52.866 -7.644 1.00 48.23 O -ATOM 827 C3' DG E 18 62.878 55.078 -8.196 1.00 45.63 C -ATOM 828 O3' DG E 18 64.092 55.339 -8.943 1.00 50.80 O -ATOM 829 C2' DG E 18 61.938 54.136 -8.937 1.00 49.45 C -ATOM 830 C1' DG E 18 62.673 52.795 -8.845 1.00 48.50 C -ATOM 831 N9 DG E 18 61.814 51.654 -8.633 1.00 44.58 N -ATOM 832 C8 DG E 18 60.501 51.661 -8.245 1.00 46.93 C -ATOM 833 N7 DG E 18 60.013 50.466 -8.078 1.00 48.45 N -ATOM 834 C5 DG E 18 61.073 49.631 -8.385 1.00 42.07 C -ATOM 835 C6 DG E 18 61.136 48.247 -8.372 1.00 44.13 C -ATOM 836 O6 DG E 18 60.232 47.444 -8.068 1.00 52.69 O -ATOM 837 N1 DG E 18 62.394 47.786 -8.759 1.00 44.83 N -ATOM 838 C2 DG E 18 63.453 48.598 -9.117 1.00 45.97 C -ATOM 839 N2 DG E 18 64.607 47.959 -9.477 1.00 51.61 N -ATOM 840 N3 DG E 18 63.390 49.917 -9.125 1.00 40.76 N -ATOM 841 C4 DG E 18 62.179 50.356 -8.746 1.00 39.81 C -ATOM 842 P DT E 17 64.052 55.714 -10.514 1.00 47.33 P -ATOM 843 OP1 DT E 17 65.460 55.897 -10.979 1.00 48.13 O -ATOM 844 OP2 DT E 17 63.021 56.776 -10.740 1.00 44.36 O -ATOM 845 O5' DT E 17 63.540 54.442 -11.307 1.00 48.33 O -ATOM 846 C5' DT E 17 63.404 54.526 -12.733 1.00 50.22 C -ATOM 847 C4' DT E 17 64.334 53.542 -13.396 1.00 46.62 C -ATOM 848 O4' DT E 17 64.194 52.341 -12.610 1.00 45.10 O -ATOM 849 C3' DT E 17 64.002 53.192 -14.862 1.00 49.85 C -ATOM 850 O3' DT E 17 65.184 53.012 -15.661 1.00 52.17 O -ATOM 851 C2' DT E 17 63.278 51.860 -14.784 1.00 45.71 C -ATOM 852 C1' DT E 17 63.541 51.335 -13.356 1.00 47.17 C -ATOM 853 N1 DT E 17 62.264 50.996 -12.698 1.00 47.14 N -ATOM 854 C2 DT E 17 62.100 49.681 -12.303 1.00 51.28 C -ATOM 855 O2 DT E 17 63.003 48.825 -12.412 1.00 48.33 O -ATOM 856 N3 DT E 17 60.846 49.399 -11.771 1.00 43.49 N -ATOM 857 C4 DT E 17 59.774 50.291 -11.592 1.00 46.51 C -ATOM 858 O4 DT E 17 58.658 49.863 -11.140 1.00 39.29 O -ATOM 859 C5 DT E 17 60.068 51.671 -11.981 1.00 42.35 C -ATOM 860 C7 DT E 17 59.032 52.728 -11.773 1.00 44.19 C -ATOM 861 C6 DT E 17 61.268 51.940 -12.510 1.00 40.37 C -ATOM 862 P DG E 16 66.107 54.281 -16.042 1.00 55.00 P -ATOM 863 OP1 DG E 16 67.342 53.808 -16.739 1.00 53.75 O -ATOM 864 OP2 DG E 16 66.211 55.250 -14.921 1.00 48.58 O -ATOM 865 O5' DG E 16 65.200 55.084 -17.037 1.00 49.31 O -ATOM 866 C5' DG E 16 63.824 54.899 -16.964 1.00 46.94 C -ATOM 867 C4' DG E 16 63.473 53.775 -17.889 1.00 47.78 C -ATOM 868 O4' DG E 16 62.696 52.796 -17.186 1.00 46.10 O -ATOM 869 C3' DG E 16 62.662 54.272 -19.081 1.00 47.58 C -ATOM 870 O3' DG E 16 63.271 53.787 -20.284 1.00 51.79 O -ATOM 871 C2' DG E 16 61.261 53.740 -18.844 1.00 38.47 C -ATOM 872 C1' DG E 16 61.452 52.636 -17.824 1.00 45.43 C -ATOM 873 N9 DG E 16 60.446 52.622 -16.785 1.00 42.31 N -ATOM 874 C8 DG E 16 59.905 53.658 -16.070 1.00 40.73 C -ATOM 875 N7 DG E 16 59.002 53.254 -15.207 1.00 48.69 N -ATOM 876 C5 DG E 16 58.967 51.862 -15.384 1.00 49.32 C -ATOM 877 C6 DG E 16 58.199 50.811 -14.717 1.00 48.44 C -ATOM 878 O6 DG E 16 57.352 50.905 -13.824 1.00 55.00 O -ATOM 879 N1 DG E 16 58.528 49.552 -15.211 1.00 42.76 N -ATOM 880 C2 DG E 16 59.468 49.308 -16.187 1.00 45.90 C -ATOM 881 N2 DG E 16 59.707 47.991 -16.545 1.00 48.70 N -ATOM 882 N3 DG E 16 60.156 50.259 -16.794 1.00 44.20 N -ATOM 883 C4 DG E 16 59.858 51.484 -16.350 1.00 46.58 C -ATOM 884 P DA E 15 63.219 54.667 -21.630 1.00 48.78 P -ATOM 885 OP1 DA E 15 64.491 54.334 -22.319 1.00 49.49 O -ATOM 886 OP2 DA E 15 62.900 56.072 -21.368 1.00 47.04 O -ATOM 887 O5' DA E 15 62.003 53.956 -22.388 1.00 50.35 O -ATOM 888 C5' DA E 15 62.193 52.587 -22.847 1.00 55.00 C -ATOM 889 C4' DA E 15 60.884 51.882 -23.146 1.00 54.07 C -ATOM 890 O4' DA E 15 60.057 51.856 -21.951 1.00 55.00 O -ATOM 891 C3' DA E 15 60.030 52.506 -24.249 1.00 55.00 C -ATOM 892 O3' DA E 15 59.366 51.441 -24.985 1.00 54.15 O -ATOM 893 C2' DA E 15 59.060 53.372 -23.439 1.00 55.00 C -ATOM 894 C1' DA E 15 58.828 52.537 -22.177 1.00 55.00 C -ATOM 895 N9 DA E 15 58.442 53.214 -20.916 1.00 55.00 N -ATOM 896 C8 DA E 15 58.819 54.415 -20.354 1.00 55.00 C -ATOM 897 N7 DA E 15 58.245 54.659 -19.183 1.00 55.00 N -ATOM 898 C5 DA E 15 57.441 53.549 -18.966 1.00 55.00 C -ATOM 899 C6 DA E 15 56.567 53.166 -17.897 1.00 55.00 C -ATOM 900 N6 DA E 15 56.336 53.876 -16.772 1.00 55.00 N -ATOM 901 N1 DA E 15 55.919 51.984 -18.024 1.00 51.06 N -ATOM 902 C2 DA E 15 56.134 51.243 -19.125 1.00 52.90 C -ATOM 903 N3 DA E 15 56.918 51.484 -20.170 1.00 54.93 N -ATOM 904 C4 DA E 15 57.548 52.658 -20.028 1.00 55.00 C -ATOM 905 P DC E 14 59.195 51.524 -26.604 1.00 55.00 P -ATOM 906 OP1 DC E 14 60.535 51.396 -27.248 1.00 55.00 O -ATOM 907 OP2 DC E 14 58.305 52.667 -26.991 1.00 47.13 O -ATOM 908 O5' DC E 14 58.337 50.217 -26.930 1.00 55.00 O -ATOM 909 C5' DC E 14 56.944 50.331 -27.221 1.00 55.00 C -ATOM 910 C4' DC E 14 56.087 49.951 -26.023 1.00 55.00 C -ATOM 911 O4' DC E 14 56.365 50.736 -24.811 1.00 55.00 O -ATOM 912 C3' DC E 14 54.592 50.189 -26.301 1.00 55.00 C -ATOM 913 O3' DC E 14 53.817 49.077 -26.830 1.00 55.00 O -ATOM 914 C2' DC E 14 54.029 50.720 -24.984 1.00 55.00 C -ATOM 915 C1' DC E 14 55.192 50.605 -23.992 1.00 55.00 C -ATOM 916 N1 DC E 14 55.148 51.659 -22.944 1.00 55.00 N -ATOM 917 C2 DC E 14 54.368 51.408 -21.780 1.00 52.47 C -ATOM 918 O2 DC E 14 53.796 50.317 -21.678 1.00 52.63 O -ATOM 919 N3 DC E 14 54.268 52.375 -20.795 1.00 55.00 N -ATOM 920 C4 DC E 14 54.927 53.543 -20.939 1.00 55.00 C -ATOM 921 N4 DC E 14 54.818 54.470 -19.936 1.00 54.40 N -ATOM 922 C5 DC E 14 55.733 53.817 -22.108 1.00 52.28 C -ATOM 923 C6 DC E 14 55.815 52.856 -23.074 1.00 51.39 C -TER 924 DC E 14 -ATOM 925 O5' DA F 13 52.196 46.541 -24.451 1.00 31.30 O -ATOM 926 C5' DA F 13 51.581 46.001 -23.228 1.00 41.30 C -ATOM 927 C4' DA F 13 50.321 46.697 -22.750 1.00 42.45 C -ATOM 928 O4' DA F 13 50.662 47.980 -22.131 1.00 45.17 O -ATOM 929 C3' DA F 13 49.321 47.004 -23.875 1.00 44.98 C -ATOM 930 O3' DA F 13 48.046 46.436 -23.524 1.00 46.35 O -ATOM 931 C2' DA F 13 49.338 48.533 -23.993 1.00 35.40 C -ATOM 932 C1' DA F 13 49.751 48.987 -22.598 1.00 38.85 C -ATOM 933 N9 DA F 13 50.387 50.318 -22.455 1.00 38.98 N -ATOM 934 C8 DA F 13 51.613 50.722 -22.895 1.00 40.38 C -ATOM 935 N7 DA F 13 51.899 51.977 -22.596 1.00 42.52 N -ATOM 936 C5 DA F 13 50.785 52.437 -21.920 1.00 40.69 C -ATOM 937 C6 DA F 13 50.474 53.682 -21.298 1.00 37.34 C -ATOM 938 N6 DA F 13 51.265 54.771 -21.281 1.00 31.64 N -ATOM 939 N1 DA F 13 49.295 53.785 -20.671 1.00 36.19 N -ATOM 940 C2 DA F 13 48.483 52.726 -20.664 1.00 31.26 C -ATOM 941 N3 DA F 13 48.648 51.525 -21.195 1.00 36.31 N -ATOM 942 C4 DA F 13 49.837 51.433 -21.821 1.00 42.68 C -ATOM 943 P DT F 12 46.728 46.691 -24.460 1.00 55.00 P -ATOM 944 OP1 DT F 12 45.971 45.420 -24.764 1.00 53.90 O -ATOM 945 OP2 DT F 12 47.107 47.604 -25.590 1.00 52.04 O -ATOM 946 O5' DT F 12 45.732 47.449 -23.461 1.00 55.00 O -ATOM 947 C5' DT F 12 46.145 47.837 -22.120 1.00 55.00 C -ATOM 948 C4' DT F 12 45.278 48.980 -21.632 1.00 52.68 C -ATOM 949 O4' DT F 12 46.029 50.159 -21.256 1.00 49.10 O -ATOM 950 C3' DT F 12 44.387 49.439 -22.765 1.00 51.10 C -ATOM 951 O3' DT F 12 43.335 48.484 -22.774 1.00 45.01 O -ATOM 952 C2' DT F 12 44.076 50.889 -22.424 1.00 46.07 C -ATOM 953 C1' DT F 12 45.256 51.319 -21.546 1.00 47.38 C -ATOM 954 N1 DT F 12 46.145 52.344 -22.134 1.00 52.18 N -ATOM 955 C2 DT F 12 46.130 53.608 -21.549 1.00 50.13 C -ATOM 956 O2 DT F 12 45.438 53.903 -20.582 1.00 51.28 O -ATOM 957 N3 DT F 12 46.956 54.519 -22.132 1.00 46.57 N -ATOM 958 C4 DT F 12 47.789 54.326 -23.192 1.00 55.00 C -ATOM 959 O4 DT F 12 48.458 55.256 -23.575 1.00 55.00 O -ATOM 960 C5 DT F 12 47.783 52.971 -23.769 1.00 55.00 C -ATOM 961 C7 DT F 12 48.680 52.654 -24.930 1.00 50.79 C -ATOM 962 C6 DT F 12 46.960 52.063 -23.214 1.00 54.47 C -ATOM 963 P DA F 11 41.836 48.933 -22.564 1.00 46.55 P -ATOM 964 OP1 DA F 11 41.275 47.776 -21.806 1.00 55.00 O -ATOM 965 OP2 DA F 11 41.274 49.315 -23.894 1.00 39.55 O -ATOM 966 O5' DA F 11 41.856 50.207 -21.604 1.00 48.88 O -ATOM 967 C5' DA F 11 41.417 50.113 -20.250 1.00 42.78 C -ATOM 968 C4' DA F 11 40.939 51.457 -19.738 1.00 35.19 C -ATOM 969 O4' DA F 11 41.801 52.552 -20.135 1.00 29.52 O -ATOM 970 C3' DA F 11 39.522 51.866 -20.110 1.00 23.23 C -ATOM 971 O3' DA F 11 39.007 52.433 -18.920 1.00 21.96 O -ATOM 972 C2' DA F 11 39.746 52.907 -21.207 1.00 33.06 C -ATOM 973 C1' DA F 11 41.085 53.558 -20.853 1.00 34.91 C -ATOM 974 N9 DA F 11 41.957 53.988 -21.964 1.00 40.51 N -ATOM 975 C8 DA F 11 42.041 53.474 -23.229 1.00 40.12 C -ATOM 976 N7 DA F 11 42.957 54.053 -23.979 1.00 33.10 N -ATOM 977 C5 DA F 11 43.511 55.022 -23.157 1.00 32.05 C -ATOM 978 C6 DA F 11 44.559 55.998 -23.355 1.00 30.22 C -ATOM 979 N6 DA F 11 45.285 56.170 -24.469 1.00 32.82 N -ATOM 980 N1 DA F 11 44.841 56.817 -22.320 1.00 37.16 N -ATOM 981 C2 DA F 11 44.136 56.665 -21.167 1.00 40.96 C -ATOM 982 N3 DA F 11 43.164 55.802 -20.872 1.00 38.91 N -ATOM 983 C4 DA F 11 42.894 55.004 -21.914 1.00 34.63 C -ATOM 984 P DT F 10 37.444 52.492 -18.639 1.00 25.31 P -ATOM 985 OP1 DT F 10 37.439 52.255 -17.212 1.00 21.49 O -ATOM 986 OP2 DT F 10 36.623 51.611 -19.507 1.00 24.13 O -ATOM 987 O5' DT F 10 37.177 54.041 -18.904 1.00 29.28 O -ATOM 988 C5' DT F 10 38.141 54.937 -18.368 1.00 27.46 C -ATOM 989 C4' DT F 10 37.919 56.362 -18.795 1.00 23.29 C -ATOM 990 O4' DT F 10 38.799 56.730 -19.866 1.00 30.99 O -ATOM 991 C3' DT F 10 36.546 56.885 -19.166 1.00 29.20 C -ATOM 992 O3' DT F 10 36.486 58.027 -18.260 1.00 28.19 O -ATOM 993 C2' DT F 10 36.656 57.130 -20.684 1.00 26.83 C -ATOM 994 C1' DT F 10 38.122 57.472 -20.906 1.00 27.54 C -ATOM 995 N1 DT F 10 38.894 57.151 -22.187 1.00 38.03 N -ATOM 996 C2 DT F 10 39.951 58.016 -22.554 1.00 41.72 C -ATOM 997 O2 DT F 10 40.216 59.054 -21.967 1.00 43.80 O -ATOM 998 N3 DT F 10 40.686 57.607 -23.641 1.00 38.13 N -ATOM 999 C4 DT F 10 40.495 56.485 -24.393 1.00 27.21 C -ATOM 1000 O4 DT F 10 41.268 56.252 -25.297 1.00 34.86 O -ATOM 1001 C5 DT F 10 39.364 55.656 -24.018 1.00 28.27 C -ATOM 1002 C7 DT F 10 39.060 54.429 -24.814 1.00 28.01 C -ATOM 1003 C6 DT F 10 38.624 56.027 -22.956 1.00 34.11 C -ATOM 1004 P DG F 9 35.672 59.367 -18.605 1.00 19.85 P -ATOM 1005 OP1 DG F 9 35.538 59.937 -17.258 1.00 29.14 O -ATOM 1006 OP2 DG F 9 34.423 59.200 -19.435 1.00 19.55 O -ATOM 1007 O5' DG F 9 36.811 60.228 -19.246 1.00 22.89 O -ATOM 1008 C5' DG F 9 37.757 60.811 -18.379 1.00 29.57 C -ATOM 1009 C4' DG F 9 38.074 62.225 -18.806 1.00 25.07 C -ATOM 1010 O4' DG F 9 38.736 62.193 -20.087 1.00 20.95 O -ATOM 1011 C3' DG F 9 36.879 63.148 -18.993 1.00 23.23 C -ATOM 1012 O3' DG F 9 37.364 64.488 -18.898 1.00 34.69 O -ATOM 1013 C2' DG F 9 36.502 62.869 -20.419 1.00 21.51 C -ATOM 1014 C1' DG F 9 37.871 62.686 -21.036 1.00 21.86 C -ATOM 1015 N9 DG F 9 37.826 61.772 -22.142 1.00 22.16 N -ATOM 1016 C8 DG F 9 37.060 60.675 -22.294 1.00 18.22 C -ATOM 1017 N7 DG F 9 37.229 60.095 -23.444 1.00 29.66 N -ATOM 1018 C5 DG F 9 38.179 60.875 -24.077 1.00 32.74 C -ATOM 1019 C6 DG F 9 38.746 60.773 -25.351 1.00 36.61 C -ATOM 1020 O6 DG F 9 38.503 59.939 -26.236 1.00 37.57 O -ATOM 1021 N1 DG F 9 39.686 61.780 -25.580 1.00 33.84 N -ATOM 1022 C2 DG F 9 40.027 62.770 -24.680 1.00 39.28 C -ATOM 1023 N2 DG F 9 40.984 63.670 -25.035 1.00 37.76 N -ATOM 1024 N3 DG F 9 39.474 62.877 -23.500 1.00 37.04 N -ATOM 1025 C4 DG F 9 38.566 61.899 -23.271 1.00 33.89 C -ATOM 1026 P DT F 8 36.400 65.721 -19.210 1.00 36.67 P -ATOM 1027 OP1 DT F 8 36.894 66.806 -18.292 1.00 36.61 O -ATOM 1028 OP2 DT F 8 34.989 65.228 -19.094 1.00 27.67 O -ATOM 1029 O5' DT F 8 36.698 66.089 -20.755 1.00 39.41 O -ATOM 1030 C5' DT F 8 38.050 66.099 -21.274 1.00 39.26 C -ATOM 1031 C4' DT F 8 38.192 67.018 -22.471 1.00 33.08 C -ATOM 1032 O4' DT F 8 38.414 66.244 -23.683 1.00 31.25 O -ATOM 1033 C3' DT F 8 36.968 67.883 -22.727 1.00 32.96 C -ATOM 1034 O3' DT F 8 37.319 69.115 -23.352 1.00 34.95 O -ATOM 1035 C2' DT F 8 36.193 67.060 -23.714 1.00 32.42 C -ATOM 1036 C1' DT F 8 37.288 66.371 -24.525 1.00 33.16 C -ATOM 1037 N1 DT F 8 36.805 65.033 -24.971 1.00 28.95 N -ATOM 1038 C2 DT F 8 37.477 64.342 -25.924 1.00 29.83 C -ATOM 1039 O2 DT F 8 38.498 64.732 -26.403 1.00 40.47 O -ATOM 1040 N3 DT F 8 36.910 63.171 -26.298 1.00 28.22 N -ATOM 1041 C4 DT F 8 35.758 62.623 -25.816 1.00 26.31 C -ATOM 1042 O4 DT F 8 35.362 61.579 -26.263 1.00 33.65 O -ATOM 1043 C5 DT F 8 35.100 63.369 -24.793 1.00 28.16 C -ATOM 1044 C7 DT F 8 33.830 62.824 -24.188 1.00 24.72 C -ATOM 1045 C6 DT F 8 35.652 64.527 -24.420 1.00 27.42 C -ATOM 1046 P DC F 7 36.433 70.448 -23.065 1.00 41.78 P -ATOM 1047 OP1 DC F 7 37.409 71.404 -22.521 1.00 42.03 O -ATOM 1048 OP2 DC F 7 35.115 70.273 -22.361 1.00 33.42 O -ATOM 1049 O5' DC F 7 36.070 70.940 -24.525 1.00 36.89 O -ATOM 1050 C5' DC F 7 37.074 71.156 -25.522 1.00 28.88 C -ATOM 1051 C4' DC F 7 36.363 71.298 -26.830 1.00 30.64 C -ATOM 1052 O4' DC F 7 36.028 69.937 -27.246 1.00 25.93 O -ATOM 1053 C3' DC F 7 35.039 72.004 -26.488 1.00 38.23 C -ATOM 1054 O3' DC F 7 34.697 73.146 -27.282 1.00 43.55 O -ATOM 1055 C2' DC F 7 33.981 70.932 -26.586 1.00 38.97 C -ATOM 1056 C1' DC F 7 34.618 69.853 -27.453 1.00 40.17 C -ATOM 1057 N1 DC F 7 34.074 68.496 -27.113 1.00 38.99 N -ATOM 1058 C2 DC F 7 34.634 67.312 -27.657 1.00 39.07 C -ATOM 1059 O2 DC F 7 35.623 67.386 -28.434 1.00 45.21 O -ATOM 1060 N3 DC F 7 34.066 66.115 -27.324 1.00 27.67 N -ATOM 1061 C4 DC F 7 33.017 66.081 -26.524 1.00 29.36 C -ATOM 1062 N4 DC F 7 32.503 64.931 -26.254 1.00 28.91 N -ATOM 1063 C5 DC F 7 32.447 67.243 -25.967 1.00 40.15 C -ATOM 1064 C6 DC F 7 32.994 68.410 -26.273 1.00 40.85 C -ATOM 1065 P DA F 6 33.414 74.059 -26.862 1.00 53.93 P -ATOM 1066 OP1 DA F 6 34.057 75.392 -26.618 1.00 55.00 O -ATOM 1067 OP2 DA F 6 32.496 73.443 -25.823 1.00 39.57 O -ATOM 1068 O5' DA F 6 32.554 74.101 -28.196 1.00 46.92 O -ATOM 1069 C5' DA F 6 33.167 73.698 -29.403 1.00 42.42 C -ATOM 1070 C4' DA F 6 32.126 73.396 -30.447 1.00 50.70 C -ATOM 1071 O4' DA F 6 31.749 72.009 -30.415 1.00 49.45 O -ATOM 1072 C3' DA F 6 30.829 74.166 -30.296 1.00 47.93 C -ATOM 1073 O3' DA F 6 30.318 74.255 -31.642 1.00 53.68 O -ATOM 1074 C2' DA F 6 30.033 73.228 -29.398 1.00 47.48 C -ATOM 1075 C1' DA F 6 30.399 71.884 -29.994 1.00 53.11 C -ATOM 1076 N9 DA F 6 30.361 70.722 -29.116 1.00 51.97 N -ATOM 1077 C8 DA F 6 30.682 70.603 -27.790 1.00 42.75 C -ATOM 1078 N7 DA F 6 30.560 69.386 -27.331 1.00 47.98 N -ATOM 1079 C5 DA F 6 30.124 68.657 -28.434 1.00 53.16 C -ATOM 1080 C6 DA F 6 29.817 67.295 -28.615 1.00 55.00 C -ATOM 1081 N6 DA F 6 29.913 66.396 -27.634 1.00 55.00 N -ATOM 1082 N1 DA F 6 29.407 66.886 -29.851 1.00 52.93 N -ATOM 1083 C2 DA F 6 29.322 67.794 -30.821 1.00 44.78 C -ATOM 1084 N3 DA F 6 29.590 69.102 -30.771 1.00 54.97 N -ATOM 1085 C4 DA F 6 29.990 69.469 -29.533 1.00 53.44 C -ATOM 1086 P DC F 5 29.468 75.536 -32.143 1.00 46.67 P -ATOM 1087 OP1 DC F 5 30.257 75.987 -33.325 1.00 50.45 O -ATOM 1088 OP2 DC F 5 29.119 76.521 -31.047 1.00 49.02 O -ATOM 1089 O5' DC F 5 28.130 74.833 -32.651 1.00 41.87 O -ATOM 1090 C5' DC F 5 28.210 73.631 -33.429 1.00 45.32 C -ATOM 1091 C4' DC F 5 26.855 72.979 -33.548 1.00 42.97 C -ATOM 1092 O4' DC F 5 26.819 71.829 -32.685 1.00 49.20 O -ATOM 1093 C3' DC F 5 25.672 73.850 -33.143 1.00 42.69 C -ATOM 1094 O3' DC F 5 24.552 73.544 -34.010 1.00 50.45 O -ATOM 1095 C2' DC F 5 25.412 73.420 -31.696 1.00 44.72 C -ATOM 1096 C1' DC F 5 25.736 71.926 -31.738 1.00 50.94 C -ATOM 1097 N1 DC F 5 26.172 71.245 -30.469 1.00 46.13 N -ATOM 1098 C2 DC F 5 26.309 69.818 -30.451 1.00 51.37 C -ATOM 1099 O2 DC F 5 26.042 69.165 -31.466 1.00 53.46 O -ATOM 1100 N3 DC F 5 26.727 69.192 -29.320 1.00 54.36 N -ATOM 1101 C4 DC F 5 27.000 69.907 -28.228 1.00 54.99 C -ATOM 1102 N4 DC F 5 27.414 69.243 -27.139 1.00 46.19 N -ATOM 1103 C5 DC F 5 26.863 71.338 -28.204 1.00 52.13 C -ATOM 1104 C6 DC F 5 26.449 71.958 -29.335 1.00 49.39 C -ATOM 1105 P DA F 4 24.433 74.190 -35.511 1.00 45.95 P -ATOM 1106 OP1 DA F 4 25.683 74.053 -36.303 1.00 34.48 O -ATOM 1107 OP2 DA F 4 23.812 75.534 -35.333 1.00 39.41 O -ATOM 1108 O5' DA F 4 23.388 73.213 -36.229 1.00 42.50 O -ATOM 1109 C5' DA F 4 23.835 72.267 -37.213 1.00 38.52 C -ATOM 1110 C4' DA F 4 23.231 70.892 -36.991 1.00 35.99 C -ATOM 1111 O4' DA F 4 23.530 70.482 -35.643 1.00 37.73 O -ATOM 1112 C3' DA F 4 21.723 70.673 -37.200 1.00 35.99 C -ATOM 1113 O3' DA F 4 21.567 69.482 -38.026 1.00 35.44 O -ATOM 1114 C2' DA F 4 21.180 70.516 -35.785 1.00 33.37 C -ATOM 1115 C1' DA F 4 22.375 70.004 -34.966 1.00 38.01 C -ATOM 1116 N9 DA F 4 22.524 70.426 -33.556 1.00 38.99 N -ATOM 1117 C8 DA F 4 22.369 71.682 -33.021 1.00 43.06 C -ATOM 1118 N7 DA F 4 22.607 71.748 -31.718 1.00 42.94 N -ATOM 1119 C5 DA F 4 22.936 70.456 -31.370 1.00 44.85 C -ATOM 1120 C6 DA F 4 23.314 69.859 -30.120 1.00 47.21 C -ATOM 1121 N6 DA F 4 23.425 70.512 -28.951 1.00 39.79 N -ATOM 1122 N1 DA F 4 23.580 68.533 -30.121 1.00 47.12 N -ATOM 1123 C2 DA F 4 23.469 67.861 -31.305 1.00 47.74 C -ATOM 1124 N3 DA F 4 23.130 68.307 -32.522 1.00 40.17 N -ATOM 1125 C4 DA F 4 22.878 69.620 -32.491 1.00 44.31 C -ATOM 1126 P DC F 3 20.095 68.958 -38.513 1.00 47.89 P -ATOM 1127 OP1 DC F 3 20.241 68.290 -39.818 1.00 36.78 O -ATOM 1128 OP2 DC F 3 19.014 69.985 -38.333 1.00 39.32 O -ATOM 1129 O5' DC F 3 19.816 67.764 -37.506 1.00 45.40 O -ATOM 1130 C5' DC F 3 20.904 67.079 -36.902 1.00 41.57 C -ATOM 1131 C4' DC F 3 20.377 66.265 -35.761 1.00 39.86 C -ATOM 1132 O4' DC F 3 20.571 67.009 -34.539 1.00 38.80 O -ATOM 1133 C3' DC F 3 18.867 66.061 -35.924 1.00 38.18 C -ATOM 1134 O3' DC F 3 18.538 64.677 -35.799 1.00 41.93 O -ATOM 1135 C2' DC F 3 18.252 66.909 -34.824 1.00 34.44 C -ATOM 1136 C1' DC F 3 19.360 66.955 -33.780 1.00 44.33 C -ATOM 1137 N1 DC F 3 19.335 68.103 -32.828 1.00 44.31 N -ATOM 1138 C2 DC F 3 19.130 67.874 -31.472 1.00 36.70 C -ATOM 1139 O2 DC F 3 18.968 66.738 -31.036 1.00 32.60 O -ATOM 1140 N3 DC F 3 19.122 68.905 -30.647 1.00 37.26 N -ATOM 1141 C4 DC F 3 19.315 70.137 -31.089 1.00 35.75 C -ATOM 1142 N4 DC F 3 19.324 71.093 -30.184 1.00 38.64 N -ATOM 1143 C5 DC F 3 19.512 70.419 -32.437 1.00 37.10 C -ATOM 1144 C6 DC F 3 19.516 69.381 -33.275 1.00 46.31 C -ATOM 1145 P DT F 2 16.998 64.236 -35.654 1.00 50.71 P -ATOM 1146 OP1 DT F 2 16.766 62.963 -36.394 1.00 53.39 O -ATOM 1147 OP2 DT F 2 16.169 65.423 -35.958 1.00 48.71 O -ATOM 1148 O5' DT F 2 16.793 63.922 -34.088 1.00 55.00 O -ATOM 1149 C5' DT F 2 17.625 62.959 -33.412 1.00 45.84 C -ATOM 1150 C4' DT F 2 17.117 62.673 -32.016 1.00 42.40 C -ATOM 1151 O4' DT F 2 17.342 63.812 -31.161 1.00 41.36 O -ATOM 1152 C3' DT F 2 15.640 62.293 -31.869 1.00 43.22 C -ATOM 1153 O3' DT F 2 15.595 61.140 -30.989 1.00 31.01 O -ATOM 1154 C2' DT F 2 15.006 63.560 -31.304 1.00 37.22 C -ATOM 1155 C1' DT F 2 16.144 64.164 -30.494 1.00 42.95 C -ATOM 1156 N1 DT F 2 16.141 65.626 -30.366 1.00 40.49 N -ATOM 1157 C2 DT F 2 16.151 66.163 -29.115 1.00 43.06 C -ATOM 1158 O2 DT F 2 16.173 65.484 -28.112 1.00 47.23 O -ATOM 1159 N3 DT F 2 16.142 67.531 -29.071 1.00 46.85 N -ATOM 1160 C4 DT F 2 16.132 68.391 -30.137 1.00 48.20 C -ATOM 1161 O4 DT F 2 16.113 69.595 -29.945 1.00 43.15 O -ATOM 1162 C5 DT F 2 16.141 67.755 -31.433 1.00 48.16 C -ATOM 1163 C7 DT F 2 16.164 68.603 -32.665 1.00 53.06 C -ATOM 1164 C6 DT F 2 16.134 66.420 -31.478 1.00 43.85 C -ATOM 1165 P DT F 1 14.211 60.367 -30.683 1.00 37.37 P -ATOM 1166 OP1 DT F 1 14.670 58.976 -30.506 1.00 37.79 O -ATOM 1167 OP2 DT F 1 13.087 60.673 -31.585 1.00 41.13 O -ATOM 1168 O5' DT F 1 13.816 60.894 -29.251 1.00 39.30 O -ATOM 1169 C5' DT F 1 14.780 60.741 -28.217 1.00 44.59 C -ATOM 1170 C4' DT F 1 14.428 61.566 -27.007 1.00 43.29 C -ATOM 1171 O4' DT F 1 14.473 62.950 -27.389 1.00 40.87 O -ATOM 1172 C3' DT F 1 13.051 61.303 -26.387 1.00 35.48 C -ATOM 1173 O3' DT F 1 13.270 60.727 -25.087 1.00 27.20 O -ATOM 1174 C2' DT F 1 12.371 62.674 -26.395 1.00 38.90 C -ATOM 1175 C1' DT F 1 13.505 63.655 -26.648 1.00 39.45 C -ATOM 1176 N1 DT F 1 13.227 64.908 -27.390 1.00 45.13 N -ATOM 1177 C2 DT F 1 12.983 66.063 -26.645 1.00 47.04 C -ATOM 1178 O2 DT F 1 12.954 66.077 -25.422 1.00 45.09 O -ATOM 1179 N3 DT F 1 12.777 67.215 -27.393 1.00 48.66 N -ATOM 1180 C4 DT F 1 12.788 67.338 -28.778 1.00 45.61 C -ATOM 1181 O4 DT F 1 12.612 68.462 -29.282 1.00 42.66 O -ATOM 1182 C5 DT F 1 13.029 66.055 -29.519 1.00 46.36 C -ATOM 1183 C7 DT F 1 13.038 66.047 -31.023 1.00 32.80 C -ATOM 1184 C6 DT F 1 13.230 64.933 -28.786 1.00 42.10 C -ATOM 1185 P DT F -1 12.041 60.373 -24.103 1.00 29.86 P -ATOM 1186 OP1 DT F -1 12.653 59.369 -23.228 1.00 32.32 O -ATOM 1187 OP2 DT F -1 10.742 60.052 -24.723 1.00 26.97 O -ATOM 1188 O5' DT F -1 11.836 61.724 -23.286 1.00 29.26 O -ATOM 1189 C5' DT F -1 12.940 62.296 -22.597 1.00 26.87 C -ATOM 1190 C4' DT F -1 12.530 63.513 -21.795 1.00 34.36 C -ATOM 1191 O4' DT F -1 12.483 64.727 -22.577 1.00 33.07 O -ATOM 1192 C3' DT F -1 11.238 63.454 -20.975 1.00 25.90 C -ATOM 1193 O3' DT F -1 11.638 63.910 -19.689 1.00 29.62 O -ATOM 1194 C2' DT F -1 10.336 64.462 -21.654 1.00 26.94 C -ATOM 1195 C1' DT F -1 11.327 65.492 -22.217 1.00 37.00 C -ATOM 1196 N1 DT F -1 10.823 66.158 -23.458 1.00 39.62 N -ATOM 1197 C2 DT F -1 10.977 67.524 -23.720 1.00 31.97 C -ATOM 1198 O2 DT F -1 11.529 68.329 -23.004 1.00 23.30 O -ATOM 1199 N3 DT F -1 10.440 67.908 -24.903 1.00 38.09 N -ATOM 1200 C4 DT F -1 9.791 67.126 -25.835 1.00 36.94 C -ATOM 1201 O4 DT F -1 9.379 67.645 -26.859 1.00 43.13 O -ATOM 1202 C5 DT F -1 9.666 65.742 -25.503 1.00 33.31 C -ATOM 1203 C7 DT F -1 8.969 64.811 -26.435 1.00 33.24 C -ATOM 1204 C6 DT F -1 10.180 65.338 -24.359 1.00 39.53 C -ATOM 1205 P DT F -2 10.635 63.887 -18.449 1.00 33.08 P -ATOM 1206 OP1 DT F -2 11.466 63.544 -17.268 1.00 35.70 O -ATOM 1207 OP2 DT F -2 9.448 63.059 -18.777 1.00 22.39 O -ATOM 1208 O5' DT F -2 10.324 65.440 -18.320 1.00 39.52 O -ATOM 1209 C5' DT F -2 11.407 66.369 -18.330 1.00 37.29 C -ATOM 1210 C4' DT F -2 10.894 67.779 -18.480 1.00 38.91 C -ATOM 1211 O4' DT F -2 10.477 68.026 -19.835 1.00 37.89 O -ATOM 1212 C3' DT F -2 9.705 68.158 -17.602 1.00 35.31 C -ATOM 1213 O3' DT F -2 10.103 69.353 -16.945 1.00 37.19 O -ATOM 1214 C2' DT F -2 8.556 68.387 -18.593 1.00 32.70 C -ATOM 1215 C1' DT F -2 9.260 68.790 -19.870 1.00 29.02 C -ATOM 1216 N1 DT F -2 8.613 68.484 -21.196 1.00 33.93 N -ATOM 1217 C2 DT F -2 8.593 69.436 -22.228 1.00 26.19 C -ATOM 1218 O2 DT F -2 9.008 70.557 -22.115 1.00 19.70 O -ATOM 1219 N3 DT F -2 8.041 68.994 -23.399 1.00 28.92 N -ATOM 1220 C4 DT F -2 7.494 67.749 -23.642 1.00 35.65 C -ATOM 1221 O4 DT F -2 7.040 67.503 -24.734 1.00 36.13 O -ATOM 1222 C5 DT F -2 7.518 66.826 -22.522 1.00 39.74 C -ATOM 1223 C7 DT F -2 6.937 65.459 -22.670 1.00 41.57 C -ATOM 1224 C6 DT F -2 8.067 67.234 -21.381 1.00 40.75 C -ATOM 1225 P DC F -3 9.409 69.808 -15.583 1.00 39.34 P -ATOM 1226 OP1 DC F -3 10.513 70.651 -15.056 1.00 35.77 O -ATOM 1227 OP2 DC F -3 8.834 68.721 -14.741 1.00 37.47 O -ATOM 1228 O5' DC F -3 8.205 70.704 -16.113 1.00 41.02 O -ATOM 1229 C5' DC F -3 8.456 71.848 -16.926 1.00 42.31 C -ATOM 1230 C4' DC F -3 7.165 72.565 -17.188 1.00 40.83 C -ATOM 1231 O4' DC F -3 6.615 71.941 -18.376 1.00 45.26 O -ATOM 1232 C3' DC F -3 6.163 72.309 -16.059 1.00 44.39 C -ATOM 1233 O3' DC F -3 5.201 73.377 -15.861 1.00 50.43 O -ATOM 1234 C2' DC F -3 5.394 71.111 -16.600 1.00 48.55 C -ATOM 1235 C1' DC F -3 5.306 71.474 -18.084 1.00 44.37 C -ATOM 1236 N1 DC F -3 4.941 70.361 -19.023 1.00 45.60 N -ATOM 1237 C2 DC F -3 4.582 70.630 -20.387 1.00 40.09 C -ATOM 1238 O2 DC F -3 4.556 71.800 -20.817 1.00 41.42 O -ATOM 1239 N3 DC F -3 4.266 69.590 -21.190 1.00 40.43 N -ATOM 1240 C4 DC F -3 4.284 68.349 -20.717 1.00 36.71 C -ATOM 1241 N4 DC F -3 3.971 67.366 -21.539 1.00 43.96 N -ATOM 1242 C5 DC F -3 4.626 68.055 -19.382 1.00 42.37 C -ATOM 1243 C6 DC F -3 4.945 69.071 -18.575 1.00 45.70 C -ATOM 1244 P DG F -4 5.671 74.894 -15.672 1.00 43.19 P -ATOM 1245 OP1 DG F -4 6.963 75.115 -16.350 1.00 40.81 O -ATOM 1246 OP2 DG F -4 5.511 75.198 -14.236 1.00 39.21 O -ATOM 1247 O5' DG F -4 4.607 75.755 -16.475 1.00 38.47 O -ATOM 1248 C5' DG F -4 5.040 76.541 -17.577 1.00 43.61 C -ATOM 1249 C4' DG F -4 3.874 76.885 -18.474 1.00 38.71 C -ATOM 1250 O4' DG F -4 3.402 75.699 -19.149 1.00 44.69 O -ATOM 1251 C3' DG F -4 2.662 77.369 -17.700 1.00 37.32 C -ATOM 1252 O3' DG F -4 1.877 77.912 -18.773 1.00 24.26 O -ATOM 1253 C2' DG F -4 2.082 76.041 -17.251 1.00 37.46 C -ATOM 1254 C1' DG F -4 2.116 75.375 -18.604 1.00 41.04 C -ATOM 1255 N9 DG F -4 1.925 73.926 -18.685 1.00 40.79 N -ATOM 1256 C8 DG F -4 2.100 72.965 -17.731 1.00 36.59 C -ATOM 1257 N7 DG F -4 1.858 71.766 -18.176 1.00 36.33 N -ATOM 1258 C5 DG F -4 1.494 71.953 -19.497 1.00 41.94 C -ATOM 1259 C6 DG F -4 1.145 71.023 -20.505 1.00 45.23 C -ATOM 1260 O6 DG F -4 1.038 69.800 -20.420 1.00 51.56 O -ATOM 1261 N1 DG F -4 0.898 71.652 -21.726 1.00 44.14 N -ATOM 1262 C2 DG F -4 0.961 73.005 -21.946 1.00 44.21 C -ATOM 1263 N2 DG F -4 0.703 73.449 -23.193 1.00 43.56 N -ATOM 1264 N3 DG F -4 1.263 73.871 -21.012 1.00 48.86 N -ATOM 1265 C4 DG F -4 1.523 73.279 -19.822 1.00 43.52 C -TER 1266 DG F -4 -ATOM 1267 N PRO A 9 2.133 51.592 15.835 1.00 51.36 N -ATOM 1268 CA PRO A 9 3.600 51.747 16.013 1.00 51.53 C -ATOM 1269 C PRO A 9 3.942 53.171 16.474 1.00 47.65 C -ATOM 1270 O PRO A 9 3.141 54.090 16.286 1.00 45.67 O -ATOM 1271 CB PRO A 9 4.208 51.395 14.660 1.00 53.62 C -ATOM 1272 CG PRO A 9 3.317 50.225 14.266 1.00 46.46 C -ATOM 1273 CD PRO A 9 1.908 50.764 14.615 1.00 51.33 C -ATOM 1274 N THR A 10 5.127 53.369 17.041 1.00 46.94 N -ATOM 1275 CA THR A 10 5.474 54.683 17.538 1.00 45.64 C -ATOM 1276 C THR A 10 6.099 55.589 16.500 1.00 47.57 C -ATOM 1277 O THR A 10 6.521 56.700 16.842 1.00 50.08 O -ATOM 1278 CB THR A 10 6.426 54.574 18.733 1.00 44.04 C -ATOM 1279 OG1 THR A 10 7.592 53.820 18.382 1.00 49.75 O -ATOM 1280 CG2 THR A 10 5.694 53.904 19.886 1.00 50.67 C -ATOM 1281 N LEU A 11 6.175 55.148 15.243 1.00 46.46 N -ATOM 1282 CA LEU A 11 6.693 56.060 14.236 1.00 45.92 C -ATOM 1283 C LEU A 11 5.674 57.172 14.210 1.00 48.19 C -ATOM 1284 O LEU A 11 6.018 58.334 14.108 1.00 53.63 O -ATOM 1285 CB LEU A 11 6.748 55.448 12.848 1.00 40.81 C -ATOM 1286 CG LEU A 11 7.149 53.988 12.770 1.00 49.49 C -ATOM 1287 CD1 LEU A 11 5.858 53.214 12.714 1.00 48.62 C -ATOM 1288 CD2 LEU A 11 7.965 53.656 11.529 1.00 41.29 C -ATOM 1289 N GLU A 12 4.400 56.798 14.329 1.00 50.85 N -ATOM 1290 CA GLU A 12 3.323 57.779 14.333 1.00 49.39 C -ATOM 1291 C GLU A 12 3.464 58.617 15.594 1.00 48.42 C -ATOM 1292 O GLU A 12 3.225 59.827 15.559 1.00 49.37 O -ATOM 1293 CB GLU A 12 1.938 57.119 14.341 1.00 45.68 C -ATOM 1294 CG GLU A 12 1.673 56.066 13.283 1.00 50.07 C -ATOM 1295 CD GLU A 12 2.090 54.670 13.730 1.00 53.41 C -ATOM 1296 OE1 GLU A 12 1.184 53.844 14.003 1.00 55.00 O -ATOM 1297 OE2 GLU A 12 3.310 54.397 13.809 1.00 44.63 O -ATOM 1298 N TRP A 13 3.839 57.968 16.704 1.00 45.38 N -ATOM 1299 CA TRP A 13 4.074 58.684 17.957 1.00 43.86 C -ATOM 1300 C TRP A 13 5.007 59.848 17.597 1.00 45.13 C -ATOM 1301 O TRP A 13 4.818 61.022 17.981 1.00 39.27 O -ATOM 1302 CB TRP A 13 4.753 57.763 18.998 1.00 39.96 C -ATOM 1303 CG TRP A 13 5.078 58.541 20.211 1.00 36.61 C -ATOM 1304 CD1 TRP A 13 4.186 59.088 21.082 1.00 29.86 C -ATOM 1305 CD2 TRP A 13 6.380 58.964 20.640 1.00 32.23 C -ATOM 1306 NE1 TRP A 13 4.851 59.837 22.007 1.00 36.47 N -ATOM 1307 CE2 TRP A 13 6.199 59.778 21.758 1.00 33.72 C -ATOM 1308 CE3 TRP A 13 7.681 58.740 20.173 1.00 36.93 C -ATOM 1309 CZ2 TRP A 13 7.274 60.372 22.430 1.00 38.16 C -ATOM 1310 CZ3 TRP A 13 8.750 59.329 20.837 1.00 34.21 C -ATOM 1311 CH2 TRP A 13 8.538 60.134 21.948 1.00 37.51 C -ATOM 1312 N PHE A 14 6.008 59.469 16.811 1.00 45.34 N -ATOM 1313 CA PHE A 14 7.007 60.371 16.256 1.00 46.89 C -ATOM 1314 C PHE A 14 6.349 61.489 15.381 1.00 43.87 C -ATOM 1315 O PHE A 14 6.315 62.645 15.809 1.00 42.96 O -ATOM 1316 CB PHE A 14 8.006 59.501 15.447 1.00 43.26 C -ATOM 1317 CG PHE A 14 8.946 60.270 14.577 1.00 37.28 C -ATOM 1318 CD1 PHE A 14 10.274 60.392 14.922 1.00 33.31 C -ATOM 1319 CD2 PHE A 14 8.497 60.868 13.413 1.00 34.21 C -ATOM 1320 CE1 PHE A 14 11.139 61.105 14.117 1.00 35.28 C -ATOM 1321 CE2 PHE A 14 9.363 61.582 12.610 1.00 36.36 C -ATOM 1322 CZ PHE A 14 10.688 61.701 12.967 1.00 28.58 C -ATOM 1323 N LEU A 15 5.818 61.161 14.197 1.00 36.46 N -ATOM 1324 CA LEU A 15 5.219 62.180 13.324 1.00 40.53 C -ATOM 1325 C LEU A 15 4.239 63.082 14.101 1.00 39.50 C -ATOM 1326 O LEU A 15 4.209 64.303 13.927 1.00 35.01 O -ATOM 1327 CB LEU A 15 4.453 61.535 12.142 1.00 38.33 C -ATOM 1328 CG LEU A 15 5.128 61.048 10.828 1.00 39.33 C -ATOM 1329 CD1 LEU A 15 6.073 59.848 11.004 1.00 34.09 C -ATOM 1330 CD2 LEU A 15 3.956 60.627 9.910 1.00 30.00 C -ATOM 1331 N SER A 16 3.448 62.505 14.987 1.00 39.44 N -ATOM 1332 CA SER A 16 2.518 63.328 15.727 1.00 41.31 C -ATOM 1333 C SER A 16 3.234 64.413 16.568 1.00 39.87 C -ATOM 1334 O SER A 16 2.585 65.272 17.150 1.00 45.16 O -ATOM 1335 CB SER A 16 1.662 62.395 16.601 1.00 46.58 C -ATOM 1336 OG SER A 16 2.422 61.481 17.397 1.00 49.64 O -ATOM 1337 N HIS A 17 4.567 64.357 16.612 1.00 39.83 N -ATOM 1338 CA HIS A 17 5.494 65.281 17.319 1.00 40.97 C -ATOM 1339 C HIS A 17 6.246 66.135 16.299 1.00 41.79 C -ATOM 1340 O HIS A 17 6.967 67.087 16.627 1.00 35.53 O -ATOM 1341 CB HIS A 17 6.595 64.549 18.101 1.00 50.69 C -ATOM 1342 CG HIS A 17 6.293 64.266 19.539 1.00 48.46 C -ATOM 1343 ND1 HIS A 17 6.935 64.927 20.565 1.00 44.43 N -ATOM 1344 CD2 HIS A 17 5.466 63.368 20.124 1.00 43.77 C -ATOM 1345 CE1 HIS A 17 6.520 64.445 21.724 1.00 51.84 C -ATOM 1346 NE2 HIS A 17 5.630 63.498 21.484 1.00 48.72 N -ATOM 1347 N CYS A 18 6.161 65.677 15.068 1.00 40.25 N -ATOM 1348 CA CYS A 18 6.811 66.297 13.953 1.00 42.07 C -ATOM 1349 C CYS A 18 5.923 67.302 13.279 1.00 45.28 C -ATOM 1350 O CYS A 18 4.756 67.489 13.635 1.00 47.68 O -ATOM 1351 CB CYS A 18 7.204 65.250 12.944 1.00 35.09 C -ATOM 1352 SG CYS A 18 8.937 65.027 12.939 1.00 43.22 S -ATOM 1353 N HIS A 19 6.508 67.928 12.268 1.00 48.59 N -ATOM 1354 CA HIS A 19 5.824 68.896 11.447 1.00 48.73 C -ATOM 1355 C HIS A 19 6.272 68.764 9.993 1.00 46.16 C -ATOM 1356 O HIS A 19 7.434 69.021 9.612 1.00 34.73 O -ATOM 1357 CB HIS A 19 6.095 70.312 11.978 1.00 50.30 C -ATOM 1358 CG HIS A 19 7.468 70.517 12.543 1.00 53.51 C -ATOM 1359 ND1 HIS A 19 8.552 70.886 11.773 1.00 55.00 N -ATOM 1360 CD2 HIS A 19 7.919 70.438 13.819 1.00 50.77 C -ATOM 1361 CE1 HIS A 19 9.611 71.032 12.556 1.00 52.85 C -ATOM 1362 NE2 HIS A 19 9.254 70.765 13.798 1.00 48.71 N -ATOM 1363 N ILE A 20 5.290 68.311 9.220 1.00 37.32 N -ATOM 1364 CA ILE A 20 5.394 68.061 7.795 1.00 39.29 C -ATOM 1365 C ILE A 20 5.763 69.335 7.001 1.00 41.39 C -ATOM 1366 O ILE A 20 5.781 70.441 7.549 1.00 37.73 O -ATOM 1367 CB ILE A 20 4.026 67.474 7.300 1.00 34.82 C -ATOM 1368 CG1 ILE A 20 3.897 66.043 7.802 1.00 31.81 C -ATOM 1369 CG2 ILE A 20 3.923 67.486 5.809 1.00 30.47 C -ATOM 1370 CD1 ILE A 20 3.842 65.955 9.295 1.00 34.02 C -ATOM 1371 N HIS A 21 6.095 69.137 5.726 1.00 43.94 N -ATOM 1372 CA HIS A 21 6.392 70.178 4.740 1.00 46.40 C -ATOM 1373 C HIS A 21 6.383 69.559 3.345 1.00 43.38 C -ATOM 1374 O HIS A 21 6.986 68.518 3.103 1.00 48.89 O -ATOM 1375 CB HIS A 21 7.764 70.824 4.993 1.00 41.60 C -ATOM 1376 CG HIS A 21 7.742 71.921 6.017 1.00 47.02 C -ATOM 1377 ND1 HIS A 21 6.572 72.492 6.475 1.00 55.00 N -ATOM 1378 CD2 HIS A 21 8.746 72.571 6.650 1.00 51.14 C -ATOM 1379 CE1 HIS A 21 6.854 73.448 7.342 1.00 53.19 C -ATOM 1380 NE2 HIS A 21 8.167 73.515 7.467 1.00 55.00 N -ATOM 1381 N LYS A 22 5.636 70.198 2.454 1.00 42.96 N -ATOM 1382 CA LYS A 22 5.471 69.786 1.065 1.00 41.60 C -ATOM 1383 C LYS A 22 6.516 70.492 0.188 1.00 40.47 C -ATOM 1384 O LYS A 22 6.629 71.729 0.228 1.00 39.52 O -ATOM 1385 CB LYS A 22 4.061 70.155 0.609 1.00 45.46 C -ATOM 1386 CG LYS A 22 3.714 69.847 -0.848 1.00 46.46 C -ATOM 1387 CD LYS A 22 2.393 70.536 -1.238 1.00 45.44 C -ATOM 1388 CE LYS A 22 2.526 72.064 -1.438 1.00 44.76 C -ATOM 1389 NZ LYS A 22 1.169 72.693 -1.504 1.00 48.13 N -ATOM 1390 N TYR A 23 7.281 69.698 -0.566 1.00 32.15 N -ATOM 1391 CA TYR A 23 8.305 70.188 -1.475 1.00 26.93 C -ATOM 1392 C TYR A 23 7.986 69.795 -2.898 1.00 29.40 C -ATOM 1393 O TYR A 23 7.261 68.849 -3.110 1.00 40.19 O -ATOM 1394 CB TYR A 23 9.636 69.600 -1.147 1.00 35.11 C -ATOM 1395 CG TYR A 23 10.246 70.141 0.081 1.00 46.49 C -ATOM 1396 CD1 TYR A 23 10.549 69.297 1.133 1.00 48.26 C -ATOM 1397 CD2 TYR A 23 10.575 71.487 0.178 1.00 41.35 C -ATOM 1398 CE1 TYR A 23 11.173 69.768 2.253 1.00 47.73 C -ATOM 1399 CE2 TYR A 23 11.198 71.970 1.293 1.00 45.86 C -ATOM 1400 CZ TYR A 23 11.499 71.100 2.328 1.00 45.09 C -ATOM 1401 OH TYR A 23 12.158 71.538 3.447 1.00 54.73 O -ATOM 1402 N PRO A 24 8.519 70.505 -3.892 1.00 28.77 N -ATOM 1403 CA PRO A 24 8.359 70.105 -5.284 1.00 32.12 C -ATOM 1404 C PRO A 24 9.661 69.524 -5.850 1.00 37.05 C -ATOM 1405 O PRO A 24 10.722 69.687 -5.251 1.00 35.29 O -ATOM 1406 CB PRO A 24 7.907 71.396 -5.955 1.00 29.14 C -ATOM 1407 CG PRO A 24 7.927 72.443 -4.811 1.00 25.38 C -ATOM 1408 CD PRO A 24 8.971 71.906 -3.896 1.00 34.82 C -ATOM 1409 N SER A 25 9.580 68.888 -7.023 1.00 35.44 N -ATOM 1410 CA SER A 25 10.746 68.289 -7.690 1.00 36.35 C -ATOM 1411 C SER A 25 11.931 69.226 -7.728 1.00 34.98 C -ATOM 1412 O SER A 25 11.780 70.419 -7.594 1.00 40.30 O -ATOM 1413 CB SER A 25 10.446 67.919 -9.149 1.00 36.05 C -ATOM 1414 OG SER A 25 9.524 66.849 -9.298 1.00 38.54 O -ATOM 1415 N LYS A 26 13.110 68.652 -7.898 1.00 38.91 N -ATOM 1416 CA LYS A 26 14.361 69.379 -8.066 1.00 43.40 C -ATOM 1417 C LYS A 26 14.684 70.381 -6.960 1.00 42.65 C -ATOM 1418 O LYS A 26 15.727 71.030 -7.032 1.00 44.39 O -ATOM 1419 CB LYS A 26 14.326 70.102 -9.419 1.00 48.32 C -ATOM 1420 CG LYS A 26 13.773 69.185 -10.538 1.00 55.00 C -ATOM 1421 CD LYS A 26 13.659 69.842 -11.912 1.00 55.00 C -ATOM 1422 CE LYS A 26 12.983 68.907 -12.927 1.00 52.54 C -ATOM 1423 NZ LYS A 26 11.515 68.689 -12.681 1.00 50.27 N -ATOM 1424 N SER A 27 13.842 70.518 -5.938 1.00 44.08 N -ATOM 1425 CA SER A 27 14.147 71.491 -4.890 1.00 45.04 C -ATOM 1426 C SER A 27 15.132 70.934 -3.855 1.00 42.88 C -ATOM 1427 O SER A 27 14.901 69.883 -3.271 1.00 48.86 O -ATOM 1428 CB SER A 27 12.841 71.941 -4.193 1.00 48.09 C -ATOM 1429 OG SER A 27 12.187 70.914 -3.474 1.00 50.03 O -ATOM 1430 N THR A 28 16.234 71.652 -3.646 1.00 38.52 N -ATOM 1431 CA THR A 28 17.302 71.277 -2.717 1.00 33.94 C -ATOM 1432 C THR A 28 16.951 71.447 -1.231 1.00 33.13 C -ATOM 1433 O THR A 28 17.212 72.513 -0.654 1.00 25.29 O -ATOM 1434 CB THR A 28 18.520 72.094 -3.033 1.00 24.84 C -ATOM 1435 OG1 THR A 28 18.094 73.307 -3.655 1.00 25.04 O -ATOM 1436 CG2 THR A 28 19.459 71.330 -3.988 1.00 36.26 C -ATOM 1437 N LEU A 29 16.406 70.376 -0.637 1.00 19.29 N -ATOM 1438 CA LEU A 29 15.966 70.320 0.747 1.00 13.31 C -ATOM 1439 C LEU A 29 17.042 70.645 1.806 1.00 14.48 C -ATOM 1440 O LEU A 29 16.647 71.213 2.819 1.00 17.20 O -ATOM 1441 CB LEU A 29 15.390 68.945 1.007 1.00 10.90 C -ATOM 1442 CG LEU A 29 14.463 68.503 -0.145 1.00 15.99 C -ATOM 1443 CD1 LEU A 29 13.659 67.337 0.302 1.00 16.93 C -ATOM 1444 CD2 LEU A 29 13.484 69.552 -0.501 1.00 21.70 C -ATOM 1445 N ILE A 30 18.350 70.363 1.580 1.00 6.40 N -ATOM 1446 CA ILE A 30 19.481 70.651 2.529 1.00 6.00 C -ATOM 1447 C ILE A 30 20.685 71.177 1.727 1.00 7.34 C -ATOM 1448 O ILE A 30 20.682 70.918 0.536 1.00 20.38 O -ATOM 1449 CB ILE A 30 19.889 69.335 3.292 1.00 7.78 C -ATOM 1450 CG1 ILE A 30 18.765 68.949 4.218 1.00 6.00 C -ATOM 1451 CG2 ILE A 30 21.148 69.512 4.092 1.00 6.00 C -ATOM 1452 CD1 ILE A 30 18.970 67.594 4.806 1.00 18.06 C -ATOM 1453 N HIS A 31 21.712 71.863 2.261 1.00 6.00 N -ATOM 1454 CA HIS A 31 22.828 72.336 1.367 1.00 6.00 C -ATOM 1455 C HIS A 31 24.172 72.194 2.035 1.00 7.49 C -ATOM 1456 O HIS A 31 24.260 72.538 3.182 1.00 26.83 O -ATOM 1457 CB HIS A 31 22.624 73.788 1.009 1.00 23.36 C -ATOM 1458 CG HIS A 31 21.309 74.073 0.361 1.00 28.04 C -ATOM 1459 ND1 HIS A 31 20.107 73.878 1.006 1.00 29.13 N -ATOM 1460 CD2 HIS A 31 21.007 74.543 -0.871 1.00 24.71 C -ATOM 1461 CE1 HIS A 31 19.116 74.215 0.199 1.00 32.34 C -ATOM 1462 NE2 HIS A 31 19.637 74.621 -0.947 1.00 33.23 N -ATOM 1463 N GLN A 32 25.231 71.811 1.329 1.00 17.63 N -ATOM 1464 CA GLN A 32 26.532 71.427 1.956 1.00 25.34 C -ATOM 1465 C GLN A 32 27.324 72.622 2.574 1.00 33.05 C -ATOM 1466 O GLN A 32 28.359 73.073 2.017 1.00 36.48 O -ATOM 1467 CB GLN A 32 27.485 70.752 0.948 1.00 22.58 C -ATOM 1468 CG GLN A 32 28.828 70.391 1.590 1.00 19.58 C -ATOM 1469 CD GLN A 32 29.864 69.858 0.642 1.00 33.40 C -ATOM 1470 OE1 GLN A 32 29.568 69.203 -0.371 1.00 30.23 O -ATOM 1471 NE2 GLN A 32 31.118 70.132 0.973 1.00 34.65 N -ATOM 1472 N GLY A 33 26.924 73.052 3.775 1.00 43.34 N -ATOM 1473 CA GLY A 33 27.665 74.087 4.511 1.00 40.74 C -ATOM 1474 C GLY A 33 26.950 74.577 5.773 1.00 36.94 C -ATOM 1475 O GLY A 33 27.582 74.917 6.789 1.00 38.11 O -ATOM 1476 N GLU A 34 25.622 74.583 5.685 1.00 30.01 N -ATOM 1477 CA GLU A 34 24.758 75.094 6.719 1.00 30.03 C -ATOM 1478 C GLU A 34 24.793 74.245 7.942 1.00 35.11 C -ATOM 1479 O GLU A 34 25.306 73.137 7.881 1.00 39.63 O -ATOM 1480 CB GLU A 34 23.369 75.199 6.143 1.00 28.77 C -ATOM 1481 CG GLU A 34 23.443 76.116 4.917 1.00 36.46 C -ATOM 1482 CD GLU A 34 22.106 76.575 4.396 1.00 42.77 C -ATOM 1483 OE1 GLU A 34 22.088 77.175 3.295 1.00 37.62 O -ATOM 1484 OE2 GLU A 34 21.089 76.341 5.091 1.00 43.20 O -ATOM 1485 N LYS A 35 24.295 74.786 9.056 1.00 26.70 N -ATOM 1486 CA LYS A 35 24.335 74.085 10.336 1.00 26.96 C -ATOM 1487 C LYS A 35 23.241 73.049 10.512 1.00 32.69 C -ATOM 1488 O LYS A 35 22.077 73.331 10.240 1.00 37.00 O -ATOM 1489 CB LYS A 35 24.244 75.089 11.485 1.00 42.35 C -ATOM 1490 CG LYS A 35 25.571 75.562 12.101 1.00 42.72 C -ATOM 1491 CD LYS A 35 26.516 76.176 11.096 1.00 46.67 C -ATOM 1492 CE LYS A 35 27.373 75.155 10.344 1.00 52.49 C -ATOM 1493 NZ LYS A 35 28.418 74.537 11.250 1.00 55.00 N -ATOM 1494 N ALA A 36 23.628 71.851 10.964 1.00 33.84 N -ATOM 1495 CA ALA A 36 22.678 70.757 11.186 1.00 27.47 C -ATOM 1496 C ALA A 36 22.014 70.968 12.555 1.00 24.01 C -ATOM 1497 O ALA A 36 22.718 71.151 13.551 1.00 6.55 O -ATOM 1498 CB ALA A 36 23.432 69.445 11.131 1.00 6.00 C -ATOM 1499 N GLU A 37 20.676 70.898 12.601 1.00 24.57 N -ATOM 1500 CA GLU A 37 19.877 71.172 13.806 1.00 27.42 C -ATOM 1501 C GLU A 37 18.461 70.570 13.745 1.00 31.32 C -ATOM 1502 O GLU A 37 17.750 70.582 14.751 1.00 37.00 O -ATOM 1503 CB GLU A 37 19.762 72.674 13.982 1.00 32.59 C -ATOM 1504 CG GLU A 37 18.775 73.254 12.954 1.00 36.79 C -ATOM 1505 CD GLU A 37 18.909 72.639 11.550 1.00 34.96 C -ATOM 1506 OE1 GLU A 37 20.009 72.580 10.957 1.00 34.45 O -ATOM 1507 OE2 GLU A 37 17.891 72.185 11.022 1.00 34.02 O -ATOM 1508 N THR A 38 18.061 70.099 12.561 1.00 31.87 N -ATOM 1509 CA THR A 38 16.763 69.450 12.254 1.00 27.46 C -ATOM 1510 C THR A 38 17.103 68.080 11.662 1.00 21.46 C -ATOM 1511 O THR A 38 18.174 67.900 11.109 1.00 20.91 O -ATOM 1512 CB THR A 38 15.916 70.235 11.170 1.00 33.31 C -ATOM 1513 OG1 THR A 38 15.691 71.560 11.632 1.00 36.18 O -ATOM 1514 CG2 THR A 38 14.556 69.610 10.933 1.00 39.15 C -ATOM 1515 N LEU A 39 16.175 67.149 11.736 1.00 14.76 N -ATOM 1516 CA LEU A 39 16.364 65.794 11.292 1.00 18.37 C -ATOM 1517 C LEU A 39 15.127 65.494 10.543 1.00 23.98 C -ATOM 1518 O LEU A 39 14.094 65.347 11.161 1.00 30.72 O -ATOM 1519 CB LEU A 39 16.504 64.852 12.500 1.00 24.33 C -ATOM 1520 CG LEU A 39 16.183 63.373 12.289 1.00 27.54 C -ATOM 1521 CD1 LEU A 39 17.306 62.675 11.568 1.00 32.63 C -ATOM 1522 CD2 LEU A 39 15.996 62.735 13.609 1.00 30.74 C -ATOM 1523 N TYR A 40 15.208 65.437 9.218 1.00 26.10 N -ATOM 1524 CA TYR A 40 14.026 65.199 8.385 1.00 26.88 C -ATOM 1525 C TYR A 40 13.616 63.740 8.387 1.00 25.83 C -ATOM 1526 O TYR A 40 14.320 62.856 8.866 1.00 35.53 O -ATOM 1527 CB TYR A 40 14.307 65.668 6.927 1.00 25.89 C -ATOM 1528 CG TYR A 40 14.768 67.120 6.856 1.00 31.74 C -ATOM 1529 CD1 TYR A 40 16.084 67.444 7.176 1.00 33.19 C -ATOM 1530 CD2 TYR A 40 13.894 68.166 6.501 1.00 23.12 C -ATOM 1531 CE1 TYR A 40 16.543 68.754 7.157 1.00 40.13 C -ATOM 1532 CE2 TYR A 40 14.347 69.497 6.481 1.00 30.05 C -ATOM 1533 CZ TYR A 40 15.688 69.784 6.814 1.00 39.57 C -ATOM 1534 OH TYR A 40 16.232 71.069 6.805 1.00 43.94 O -ATOM 1535 N TYR A 41 12.473 63.512 7.783 1.00 18.85 N -ATOM 1536 CA TYR A 41 11.884 62.195 7.647 1.00 17.23 C -ATOM 1537 C TYR A 41 11.000 62.260 6.388 1.00 20.33 C -ATOM 1538 O TYR A 41 10.108 63.108 6.332 1.00 29.73 O -ATOM 1539 CB TYR A 41 11.053 61.899 8.885 1.00 22.54 C -ATOM 1540 CG TYR A 41 10.404 60.566 8.775 1.00 23.25 C -ATOM 1541 CD1 TYR A 41 9.041 60.461 8.544 1.00 30.43 C -ATOM 1542 CD2 TYR A 41 11.149 59.405 8.846 1.00 28.35 C -ATOM 1543 CE1 TYR A 41 8.448 59.246 8.383 1.00 28.16 C -ATOM 1544 CE2 TYR A 41 10.558 58.182 8.685 1.00 26.29 C -ATOM 1545 CZ TYR A 41 9.214 58.115 8.451 1.00 26.78 C -ATOM 1546 OH TYR A 41 8.613 56.899 8.245 1.00 40.04 O -ATOM 1547 N ILE A 42 11.223 61.384 5.407 1.00 25.22 N -ATOM 1548 CA ILE A 42 10.508 61.418 4.113 1.00 29.55 C -ATOM 1549 C ILE A 42 9.097 60.766 4.072 1.00 30.50 C -ATOM 1550 O ILE A 42 8.937 59.570 3.787 1.00 33.70 O -ATOM 1551 CB ILE A 42 11.399 60.756 3.008 1.00 25.15 C -ATOM 1552 CG1 ILE A 42 12.791 61.393 2.982 1.00 27.91 C -ATOM 1553 CG2 ILE A 42 10.815 61.014 1.643 1.00 33.96 C -ATOM 1554 CD1 ILE A 42 13.620 60.983 1.766 1.00 21.39 C -ATOM 1555 N VAL A 43 8.067 61.573 4.305 1.00 25.63 N -ATOM 1556 CA VAL A 43 6.711 61.072 4.319 1.00 24.70 C -ATOM 1557 C VAL A 43 6.400 60.453 2.991 1.00 26.36 C -ATOM 1558 O VAL A 43 6.246 59.249 2.908 1.00 30.84 O -ATOM 1559 CB VAL A 43 5.727 62.168 4.555 1.00 25.96 C -ATOM 1560 CG1 VAL A 43 4.342 61.560 4.745 1.00 31.89 C -ATOM 1561 CG2 VAL A 43 6.151 62.972 5.763 1.00 37.01 C -ATOM 1562 N LYS A 44 6.334 61.276 1.948 1.00 30.92 N -ATOM 1563 CA LYS A 44 6.056 60.831 0.574 1.00 27.91 C -ATOM 1564 C LYS A 44 7.105 61.394 -0.353 1.00 31.55 C -ATOM 1565 O LYS A 44 7.423 62.577 -0.232 1.00 37.24 O -ATOM 1566 CB LYS A 44 4.689 61.324 0.116 1.00 33.10 C -ATOM 1567 CG LYS A 44 4.479 61.470 -1.403 1.00 39.56 C -ATOM 1568 CD LYS A 44 3.076 62.049 -1.709 1.00 43.20 C -ATOM 1569 CE LYS A 44 2.888 63.449 -1.052 1.00 51.21 C -ATOM 1570 NZ LYS A 44 1.512 64.075 -1.019 1.00 40.62 N -ATOM 1571 N GLY A 45 7.669 60.545 -1.225 1.00 33.47 N -ATOM 1572 CA GLY A 45 8.641 60.985 -2.223 1.00 33.84 C -ATOM 1573 C GLY A 45 10.026 60.354 -2.156 1.00 29.69 C -ATOM 1574 O GLY A 45 10.291 59.471 -1.346 1.00 32.11 O -ATOM 1575 N SER A 46 10.899 60.826 -3.043 1.00 16.92 N -ATOM 1576 CA SER A 46 12.294 60.422 -3.136 1.00 17.10 C -ATOM 1577 C SER A 46 13.149 61.689 -3.264 1.00 15.96 C -ATOM 1578 O SER A 46 12.738 62.687 -3.893 1.00 20.03 O -ATOM 1579 CB SER A 46 12.548 59.564 -4.373 1.00 21.99 C -ATOM 1580 OG SER A 46 11.518 58.611 -4.519 1.00 36.00 O -ATOM 1581 N VAL A 47 14.357 61.602 -2.742 1.00 7.03 N -ATOM 1582 CA VAL A 47 15.281 62.700 -2.706 1.00 6.00 C -ATOM 1583 C VAL A 47 16.665 62.189 -3.107 1.00 7.63 C -ATOM 1584 O VAL A 47 16.897 60.989 -3.058 1.00 23.70 O -ATOM 1585 CB VAL A 47 15.257 63.259 -1.282 1.00 17.01 C -ATOM 1586 CG1 VAL A 47 16.310 62.573 -0.442 1.00 18.43 C -ATOM 1587 CG2 VAL A 47 15.422 64.734 -1.334 1.00 27.34 C -ATOM 1588 N ALA A 48 17.598 63.039 -3.509 1.00 6.41 N -ATOM 1589 CA ALA A 48 18.915 62.499 -3.868 1.00 7.21 C -ATOM 1590 C ALA A 48 20.034 63.166 -3.057 1.00 7.10 C -ATOM 1591 O ALA A 48 20.008 64.340 -2.819 1.00 15.44 O -ATOM 1592 CB ALA A 48 19.162 62.704 -5.362 1.00 9.69 C -ATOM 1593 N VAL A 49 21.006 62.412 -2.592 1.00 7.28 N -ATOM 1594 CA VAL A 49 22.082 62.992 -1.825 1.00 6.00 C -ATOM 1595 C VAL A 49 23.231 63.077 -2.761 1.00 6.00 C -ATOM 1596 O VAL A 49 23.531 62.076 -3.408 1.00 15.08 O -ATOM 1597 CB VAL A 49 22.529 62.100 -0.605 1.00 6.00 C -ATOM 1598 CG1 VAL A 49 23.614 62.837 0.275 1.00 6.77 C -ATOM 1599 CG2 VAL A 49 21.350 61.778 0.210 1.00 6.00 C -ATOM 1600 N LEU A 50 23.882 64.231 -2.830 1.00 8.56 N -ATOM 1601 CA LEU A 50 25.047 64.424 -3.708 1.00 9.23 C -ATOM 1602 C LEU A 50 25.957 65.530 -3.153 1.00 9.79 C -ATOM 1603 O LEU A 50 25.537 66.375 -2.357 1.00 15.61 O -ATOM 1604 CB LEU A 50 24.551 64.786 -5.113 1.00 12.64 C -ATOM 1605 CG LEU A 50 23.551 65.951 -5.265 1.00 13.96 C -ATOM 1606 CD1 LEU A 50 24.253 67.224 -5.680 1.00 15.34 C -ATOM 1607 CD2 LEU A 50 22.586 65.625 -6.337 1.00 11.99 C -ATOM 1608 N ILE A 51 27.212 65.472 -3.537 1.00 6.00 N -ATOM 1609 CA ILE A 51 28.216 66.427 -3.141 1.00 11.11 C -ATOM 1610 C ILE A 51 28.655 67.136 -4.420 1.00 15.65 C -ATOM 1611 O ILE A 51 28.068 66.920 -5.475 1.00 15.27 O -ATOM 1612 CB ILE A 51 29.476 65.728 -2.475 1.00 17.15 C -ATOM 1613 CG1 ILE A 51 29.656 64.289 -3.023 1.00 14.36 C -ATOM 1614 CG2 ILE A 51 29.323 65.764 -0.992 1.00 23.73 C -ATOM 1615 CD1 ILE A 51 30.974 63.599 -2.695 1.00 6.00 C -ATOM 1616 N LYS A 52 29.693 67.959 -4.369 1.00 22.44 N -ATOM 1617 CA LYS A 52 30.108 68.628 -5.596 1.00 20.38 C -ATOM 1618 C LYS A 52 31.587 68.725 -5.688 1.00 22.43 C -ATOM 1619 O LYS A 52 32.302 68.658 -4.689 1.00 21.19 O -ATOM 1620 CB LYS A 52 29.522 70.046 -5.682 1.00 28.41 C -ATOM 1621 CG LYS A 52 28.058 70.080 -6.134 1.00 31.04 C -ATOM 1622 CD LYS A 52 27.343 71.403 -5.920 1.00 36.18 C -ATOM 1623 CE LYS A 52 27.987 72.582 -6.629 1.00 41.84 C -ATOM 1624 NZ LYS A 52 27.030 73.730 -6.488 1.00 41.22 N -ATOM 1625 N ASP A 53 32.008 68.837 -6.937 1.00 34.02 N -ATOM 1626 CA ASP A 53 33.384 69.003 -7.350 1.00 40.67 C -ATOM 1627 C ASP A 53 33.751 70.462 -7.129 1.00 41.31 C -ATOM 1628 O ASP A 53 32.881 71.326 -7.115 1.00 43.84 O -ATOM 1629 CB ASP A 53 33.477 68.581 -8.823 1.00 47.56 C -ATOM 1630 CG ASP A 53 34.229 69.556 -9.693 1.00 51.22 C -ATOM 1631 OD1 ASP A 53 35.353 69.966 -9.336 1.00 55.00 O -ATOM 1632 OD2 ASP A 53 33.685 69.900 -10.761 1.00 52.60 O -ATOM 1633 N GLU A 54 35.036 70.744 -7.006 1.00 39.04 N -ATOM 1634 CA GLU A 54 35.502 72.093 -6.731 1.00 43.86 C -ATOM 1635 C GLU A 54 34.884 73.156 -7.653 1.00 46.87 C -ATOM 1636 O GLU A 54 34.958 74.366 -7.361 1.00 47.75 O -ATOM 1637 CB GLU A 54 37.016 72.107 -6.852 1.00 45.27 C -ATOM 1638 CG GLU A 54 37.712 71.097 -5.923 1.00 50.95 C -ATOM 1639 CD GLU A 54 37.478 69.623 -6.307 1.00 51.54 C -ATOM 1640 OE1 GLU A 54 37.701 69.268 -7.490 1.00 48.23 O -ATOM 1641 OE2 GLU A 54 37.074 68.825 -5.427 1.00 54.62 O -ATOM 1642 N GLU A 55 34.269 72.694 -8.747 1.00 45.46 N -ATOM 1643 CA GLU A 55 33.633 73.572 -9.719 1.00 42.78 C -ATOM 1644 C GLU A 55 32.198 73.153 -10.124 1.00 37.52 C -ATOM 1645 O GLU A 55 31.670 73.617 -11.145 1.00 38.04 O -ATOM 1646 CB GLU A 55 34.511 73.651 -10.982 1.00 45.25 C -ATOM 1647 CG GLU A 55 35.959 74.135 -10.752 1.00 53.87 C -ATOM 1648 CD GLU A 55 36.046 75.472 -10.019 1.00 49.85 C -ATOM 1649 OE1 GLU A 55 35.313 76.426 -10.387 1.00 48.93 O -ATOM 1650 OE2 GLU A 55 36.857 75.546 -9.068 1.00 51.97 O -ATOM 1651 N GLY A 56 31.555 72.273 -9.375 1.00 24.83 N -ATOM 1652 CA GLY A 56 30.199 71.989 -9.762 1.00 24.43 C -ATOM 1653 C GLY A 56 29.922 70.586 -10.196 1.00 21.38 C -ATOM 1654 O GLY A 56 28.780 70.191 -10.114 1.00 35.28 O -ATOM 1655 N LYS A 57 30.884 69.822 -10.679 1.00 17.10 N -ATOM 1656 CA LYS A 57 30.536 68.465 -11.059 1.00 12.63 C -ATOM 1657 C LYS A 57 29.951 67.777 -9.837 1.00 13.37 C -ATOM 1658 O LYS A 57 30.558 67.721 -8.781 1.00 18.45 O -ATOM 1659 CB LYS A 57 31.775 67.708 -11.537 1.00 25.65 C -ATOM 1660 CG LYS A 57 31.671 66.192 -11.770 1.00 37.17 C -ATOM 1661 CD LYS A 57 30.701 65.785 -12.899 1.00 49.62 C -ATOM 1662 CE LYS A 57 30.905 64.308 -13.371 1.00 47.06 C -ATOM 1663 NZ LYS A 57 30.004 63.900 -14.522 1.00 39.56 N -ATOM 1664 N GLU A 58 28.727 67.311 -10.000 1.00 10.43 N -ATOM 1665 CA GLU A 58 28.072 66.576 -8.966 1.00 11.37 C -ATOM 1666 C GLU A 58 28.541 65.125 -9.032 1.00 14.73 C -ATOM 1667 O GLU A 58 29.151 64.735 -10.011 1.00 24.78 O -ATOM 1668 CB GLU A 58 26.559 66.683 -9.166 1.00 25.30 C -ATOM 1669 CG GLU A 58 26.072 68.127 -9.195 1.00 29.25 C -ATOM 1670 CD GLU A 58 24.557 68.268 -9.137 1.00 36.69 C -ATOM 1671 OE1 GLU A 58 24.073 69.418 -9.133 1.00 36.06 O -ATOM 1672 OE2 GLU A 58 23.838 67.245 -9.077 1.00 40.91 O -ATOM 1673 N MET A 59 28.250 64.365 -7.981 1.00 9.85 N -ATOM 1674 CA MET A 59 28.563 62.946 -7.777 1.00 6.00 C -ATOM 1675 C MET A 59 27.441 62.518 -6.871 1.00 7.80 C -ATOM 1676 O MET A 59 27.509 62.757 -5.683 1.00 27.55 O -ATOM 1677 CB MET A 59 29.885 62.741 -7.026 1.00 17.09 C -ATOM 1678 CG MET A 59 30.725 61.395 -7.180 1.00 24.34 C -ATOM 1679 SD MET A 59 29.955 59.781 -6.747 1.00 32.69 S -ATOM 1680 CE MET A 59 30.903 58.743 -7.804 1.00 24.75 C -ATOM 1681 N ILE A 60 26.345 61.996 -7.405 1.00 11.68 N -ATOM 1682 CA ILE A 60 25.287 61.537 -6.520 1.00 8.06 C -ATOM 1683 C ILE A 60 25.776 60.408 -5.584 1.00 12.64 C -ATOM 1684 O ILE A 60 26.314 59.405 -6.055 1.00 10.42 O -ATOM 1685 CB ILE A 60 24.162 60.992 -7.290 1.00 7.69 C -ATOM 1686 CG1 ILE A 60 23.555 62.080 -8.158 1.00 6.00 C -ATOM 1687 CG2 ILE A 60 23.200 60.391 -6.325 1.00 8.49 C -ATOM 1688 CD1 ILE A 60 22.294 61.637 -8.806 1.00 6.00 C -ATOM 1689 N LEU A 61 25.606 60.576 -4.274 1.00 17.04 N -ATOM 1690 CA LEU A 61 26.032 59.558 -3.287 1.00 14.85 C -ATOM 1691 C LEU A 61 25.047 58.442 -3.116 1.00 15.71 C -ATOM 1692 O LEU A 61 25.488 57.314 -2.943 1.00 13.65 O -ATOM 1693 CB LEU A 61 26.231 60.106 -1.869 1.00 7.01 C -ATOM 1694 CG LEU A 61 27.579 60.698 -1.564 1.00 9.87 C -ATOM 1695 CD1 LEU A 61 27.713 60.911 -0.077 1.00 6.62 C -ATOM 1696 CD2 LEU A 61 28.637 59.762 -2.054 1.00 11.64 C -ATOM 1697 N SER A 62 23.748 58.781 -3.081 1.00 13.52 N -ATOM 1698 CA SER A 62 22.621 57.837 -2.913 1.00 12.70 C -ATOM 1699 C SER A 62 21.274 58.536 -3.104 1.00 14.27 C -ATOM 1700 O SER A 62 21.203 59.749 -3.002 1.00 21.89 O -ATOM 1701 CB SER A 62 22.678 57.216 -1.495 1.00 18.25 C -ATOM 1702 OG SER A 62 21.555 56.392 -1.167 1.00 22.32 O -ATOM 1703 N TYR A 63 20.211 57.803 -3.427 1.00 16.66 N -ATOM 1704 CA TYR A 63 18.880 58.425 -3.463 1.00 17.17 C -ATOM 1705 C TYR A 63 18.262 57.974 -2.158 1.00 22.08 C -ATOM 1706 O TYR A 63 18.661 56.939 -1.620 1.00 26.67 O -ATOM 1707 CB TYR A 63 17.972 57.917 -4.611 1.00 25.46 C -ATOM 1708 CG TYR A 63 18.406 58.316 -6.006 1.00 26.60 C -ATOM 1709 CD1 TYR A 63 18.601 59.643 -6.354 1.00 27.88 C -ATOM 1710 CD2 TYR A 63 18.650 57.354 -6.977 1.00 29.79 C -ATOM 1711 CE1 TYR A 63 19.040 59.994 -7.643 1.00 30.60 C -ATOM 1712 CE2 TYR A 63 19.084 57.694 -8.262 1.00 30.50 C -ATOM 1713 CZ TYR A 63 19.280 59.008 -8.589 1.00 31.72 C -ATOM 1714 OH TYR A 63 19.732 59.312 -9.854 1.00 23.33 O -ATOM 1715 N LEU A 64 17.295 58.717 -1.641 1.00 27.35 N -ATOM 1716 CA LEU A 64 16.679 58.380 -0.365 1.00 26.74 C -ATOM 1717 C LEU A 64 15.184 58.367 -0.605 1.00 30.54 C -ATOM 1718 O LEU A 64 14.690 59.340 -1.158 1.00 25.17 O -ATOM 1719 CB LEU A 64 17.076 59.438 0.652 1.00 6.73 C -ATOM 1720 CG LEU A 64 17.895 59.013 1.845 1.00 6.00 C -ATOM 1721 CD1 LEU A 64 19.095 58.273 1.438 1.00 8.98 C -ATOM 1722 CD2 LEU A 64 18.322 60.189 2.555 1.00 6.00 C -ATOM 1723 N ASN A 65 14.477 57.292 -0.226 1.00 35.25 N -ATOM 1724 CA ASN A 65 13.029 57.160 -0.498 1.00 30.63 C -ATOM 1725 C ASN A 65 12.106 57.385 0.730 1.00 28.38 C -ATOM 1726 O ASN A 65 12.578 57.708 1.833 1.00 23.29 O -ATOM 1727 CB ASN A 65 12.768 55.764 -1.093 1.00 29.39 C -ATOM 1728 CG ASN A 65 13.589 55.492 -2.353 1.00 22.64 C -ATOM 1729 OD1 ASN A 65 14.793 55.230 -2.286 1.00 22.55 O -ATOM 1730 ND2 ASN A 65 12.927 55.540 -3.508 1.00 21.44 N -ATOM 1731 N GLN A 66 10.794 57.196 0.562 1.00 22.94 N -ATOM 1732 CA GLN A 66 9.914 57.467 1.680 1.00 22.12 C -ATOM 1733 C GLN A 66 10.164 56.488 2.766 1.00 27.93 C -ATOM 1734 O GLN A 66 10.397 55.305 2.536 1.00 35.38 O -ATOM 1735 CB GLN A 66 8.425 57.405 1.288 1.00 24.81 C -ATOM 1736 CG GLN A 66 7.767 56.099 0.817 1.00 23.84 C -ATOM 1737 CD GLN A 66 6.221 56.271 0.708 1.00 34.69 C -ATOM 1738 OE1 GLN A 66 5.548 55.659 -0.126 1.00 39.05 O -ATOM 1739 NE2 GLN A 66 5.667 57.121 1.563 1.00 31.00 N -ATOM 1740 N GLY A 67 10.133 56.997 3.977 1.00 28.63 N -ATOM 1741 CA GLY A 67 10.386 56.138 5.090 1.00 26.95 C -ATOM 1742 C GLY A 67 11.853 56.192 5.355 1.00 27.89 C -ATOM 1743 O GLY A 67 12.395 55.242 5.878 1.00 37.41 O -ATOM 1744 N ASP A 68 12.517 57.280 4.983 1.00 24.35 N -ATOM 1745 CA ASP A 68 13.945 57.400 5.301 1.00 26.61 C -ATOM 1746 C ASP A 68 14.165 58.634 6.184 1.00 23.54 C -ATOM 1747 O ASP A 68 13.338 59.517 6.172 1.00 26.06 O -ATOM 1748 CB ASP A 68 14.763 57.521 4.001 1.00 22.95 C -ATOM 1749 CG ASP A 68 15.496 56.224 3.626 1.00 24.75 C -ATOM 1750 OD1 ASP A 68 15.106 55.504 2.676 1.00 13.07 O -ATOM 1751 OD2 ASP A 68 16.500 55.935 4.305 1.00 30.67 O -ATOM 1752 N PHE A 69 15.213 58.681 6.998 1.00 20.68 N -ATOM 1753 CA PHE A 69 15.493 59.879 7.797 1.00 19.92 C -ATOM 1754 C PHE A 69 16.525 60.739 7.053 1.00 20.69 C -ATOM 1755 O PHE A 69 17.391 60.174 6.396 1.00 26.10 O -ATOM 1756 CB PHE A 69 16.095 59.522 9.149 1.00 28.80 C -ATOM 1757 CG PHE A 69 15.138 58.927 10.137 1.00 34.08 C -ATOM 1758 CD1 PHE A 69 14.123 59.702 10.695 1.00 28.93 C -ATOM 1759 CD2 PHE A 69 15.277 57.587 10.539 1.00 38.04 C -ATOM 1760 CE1 PHE A 69 13.255 59.150 11.641 1.00 32.17 C -ATOM 1761 CE2 PHE A 69 14.425 57.023 11.476 1.00 30.56 C -ATOM 1762 CZ PHE A 69 13.403 57.810 12.031 1.00 32.26 C -ATOM 1763 N ILE A 70 16.490 62.072 7.157 1.00 18.58 N -ATOM 1764 CA ILE A 70 17.498 62.892 6.454 1.00 26.28 C -ATOM 1765 C ILE A 70 18.234 63.861 7.380 1.00 30.93 C -ATOM 1766 O ILE A 70 17.638 64.501 8.238 1.00 43.35 O -ATOM 1767 CB ILE A 70 16.920 63.804 5.355 1.00 34.75 C -ATOM 1768 CG1 ILE A 70 16.022 63.039 4.387 1.00 38.94 C -ATOM 1769 CG2 ILE A 70 18.074 64.350 4.546 1.00 37.06 C -ATOM 1770 CD1 ILE A 70 15.300 63.970 3.381 1.00 44.51 C -ATOM 1771 N GLY A 71 19.535 64.015 7.178 1.00 33.69 N -ATOM 1772 CA GLY A 71 20.282 64.937 8.009 1.00 25.56 C -ATOM 1773 C GLY A 71 20.388 64.425 9.431 1.00 24.70 C -ATOM 1774 O GLY A 71 20.198 65.192 10.371 1.00 29.91 O -ATOM 1775 N GLU A 72 20.710 63.141 9.601 1.00 13.93 N -ATOM 1776 CA GLU A 72 20.832 62.623 10.936 1.00 12.48 C -ATOM 1777 C GLU A 72 22.274 62.670 11.391 1.00 11.30 C -ATOM 1778 O GLU A 72 22.589 62.200 12.474 1.00 17.78 O -ATOM 1779 CB GLU A 72 20.317 61.171 11.013 1.00 13.01 C -ATOM 1780 CG GLU A 72 21.236 60.065 10.399 1.00 18.25 C -ATOM 1781 CD GLU A 72 21.276 60.043 8.866 1.00 16.76 C -ATOM 1782 OE1 GLU A 72 20.306 60.513 8.239 1.00 11.12 O -ATOM 1783 OE2 GLU A 72 22.277 59.551 8.294 1.00 15.76 O -ATOM 1784 N LEU A 73 23.179 63.230 10.607 1.00 9.81 N -ATOM 1785 CA LEU A 73 24.587 63.222 11.057 1.00 13.82 C -ATOM 1786 C LEU A 73 24.964 64.320 12.050 1.00 17.22 C -ATOM 1787 O LEU A 73 26.076 64.349 12.539 1.00 14.89 O -ATOM 1788 CB LEU A 73 25.527 63.298 9.836 1.00 14.15 C -ATOM 1789 CG LEU A 73 25.782 61.937 9.125 1.00 14.99 C -ATOM 1790 CD1 LEU A 73 24.860 60.857 9.671 1.00 21.16 C -ATOM 1791 CD2 LEU A 73 25.495 62.078 7.629 1.00 8.97 C -ATOM 1792 N GLY A 74 24.038 65.217 12.375 1.00 30.27 N -ATOM 1793 CA GLY A 74 24.353 66.270 13.328 1.00 33.67 C -ATOM 1794 C GLY A 74 23.872 65.896 14.713 1.00 34.03 C -ATOM 1795 O GLY A 74 24.427 66.303 15.737 1.00 39.53 O -ATOM 1796 N LEU A 75 22.829 65.080 14.708 1.00 26.27 N -ATOM 1797 CA LEU A 75 22.162 64.571 15.881 1.00 23.17 C -ATOM 1798 C LEU A 75 23.062 64.115 17.022 1.00 25.64 C -ATOM 1799 O LEU A 75 22.563 63.981 18.131 1.00 34.35 O -ATOM 1800 CB LEU A 75 21.299 63.421 15.455 1.00 29.90 C -ATOM 1801 CG LEU A 75 20.410 62.799 16.499 1.00 40.14 C -ATOM 1802 CD1 LEU A 75 19.480 63.847 17.131 1.00 35.25 C -ATOM 1803 CD2 LEU A 75 19.632 61.691 15.802 1.00 46.55 C -ATOM 1804 N PHE A 76 24.351 63.863 16.776 1.00 29.39 N -ATOM 1805 CA PHE A 76 25.232 63.328 17.823 1.00 30.43 C -ATOM 1806 C PHE A 76 26.430 64.224 18.119 1.00 33.08 C -ATOM 1807 O PHE A 76 27.470 63.721 18.556 1.00 39.56 O -ATOM 1808 CB PHE A 76 25.825 61.946 17.450 1.00 36.92 C -ATOM 1809 CG PHE A 76 24.898 61.037 16.711 1.00 38.34 C -ATOM 1810 CD1 PHE A 76 24.024 60.212 17.377 1.00 39.90 C -ATOM 1811 CD2 PHE A 76 24.899 61.026 15.330 1.00 38.51 C -ATOM 1812 CE1 PHE A 76 23.163 59.392 16.668 1.00 39.12 C -ATOM 1813 CE2 PHE A 76 24.045 60.211 14.625 1.00 34.14 C -ATOM 1814 CZ PHE A 76 23.179 59.400 15.298 1.00 25.35 C -ATOM 1815 N GLU A 77 26.336 65.522 17.878 1.00 31.61 N -ATOM 1816 CA GLU A 77 27.451 66.404 18.189 1.00 33.42 C -ATOM 1817 C GLU A 77 26.985 67.802 17.924 1.00 35.76 C -ATOM 1818 O GLU A 77 25.972 67.976 17.278 1.00 46.52 O -ATOM 1819 CB GLU A 77 28.675 66.042 17.322 1.00 34.97 C -ATOM 1820 CG GLU A 77 29.904 66.925 17.598 1.00 51.06 C -ATOM 1821 CD GLU A 77 31.263 66.279 17.279 1.00 55.00 C -ATOM 1822 OE1 GLU A 77 31.515 65.160 17.790 1.00 55.00 O -ATOM 1823 OE2 GLU A 77 32.085 66.893 16.549 1.00 54.67 O -ATOM 1824 N GLU A 78 27.679 68.809 18.420 1.00 41.85 N -ATOM 1825 CA GLU A 78 27.189 70.174 18.243 1.00 44.81 C -ATOM 1826 C GLU A 78 27.858 70.930 17.107 1.00 45.88 C -ATOM 1827 O GLU A 78 29.008 70.645 16.770 1.00 47.34 O -ATOM 1828 CB GLU A 78 27.391 70.971 19.536 1.00 45.21 C -ATOM 1829 CG GLU A 78 26.689 70.419 20.792 1.00 45.88 C -ATOM 1830 CD GLU A 78 25.188 70.692 20.848 1.00 43.78 C -ATOM 1831 OE1 GLU A 78 24.748 71.674 20.201 1.00 43.55 O -ATOM 1832 OE2 GLU A 78 24.475 69.923 21.551 1.00 37.15 O -ATOM 1833 N GLY A 79 27.102 71.872 16.529 1.00 46.22 N -ATOM 1834 CA GLY A 79 27.586 72.776 15.489 1.00 48.69 C -ATOM 1835 C GLY A 79 28.298 72.166 14.276 1.00 42.68 C -ATOM 1836 O GLY A 79 29.325 72.698 13.778 1.00 30.47 O -ATOM 1837 N GLN A 80 27.772 71.053 13.783 1.00 45.11 N -ATOM 1838 CA GLN A 80 28.360 70.473 12.601 1.00 42.89 C -ATOM 1839 C GLN A 80 27.525 70.938 11.420 1.00 41.23 C -ATOM 1840 O GLN A 80 26.302 71.124 11.541 1.00 39.58 O -ATOM 1841 CB GLN A 80 28.359 68.940 12.715 1.00 46.42 C -ATOM 1842 CG GLN A 80 29.252 68.388 13.832 1.00 43.16 C -ATOM 1843 CD GLN A 80 29.474 66.891 13.706 1.00 48.16 C -ATOM 1844 OE1 GLN A 80 30.557 66.429 13.310 1.00 42.62 O -ATOM 1845 NE2 GLN A 80 28.443 66.121 14.028 1.00 46.28 N -ATOM 1846 N GLU A 81 28.186 71.163 10.293 1.00 36.87 N -ATOM 1847 CA GLU A 81 27.487 71.603 9.083 1.00 35.83 C -ATOM 1848 C GLU A 81 26.672 70.453 8.445 1.00 36.60 C -ATOM 1849 O GLU A 81 26.724 69.319 8.936 1.00 35.61 O -ATOM 1850 CB GLU A 81 28.524 72.129 8.107 1.00 41.66 C -ATOM 1851 CG GLU A 81 29.510 73.051 8.809 1.00 44.03 C -ATOM 1852 CD GLU A 81 30.367 73.852 7.879 1.00 49.44 C -ATOM 1853 OE1 GLU A 81 30.417 75.076 8.086 1.00 55.00 O -ATOM 1854 OE2 GLU A 81 30.989 73.283 6.958 1.00 48.69 O -ATOM 1855 N ARG A 82 25.895 70.748 7.396 1.00 27.15 N -ATOM 1856 CA ARG A 82 25.130 69.725 6.672 1.00 23.90 C -ATOM 1857 C ARG A 82 26.166 69.218 5.662 1.00 20.67 C -ATOM 1858 O ARG A 82 26.767 70.046 4.983 1.00 27.73 O -ATOM 1859 CB ARG A 82 23.936 70.359 5.960 1.00 20.29 C -ATOM 1860 CG ARG A 82 22.982 71.156 6.834 1.00 26.02 C -ATOM 1861 CD ARG A 82 21.699 70.447 7.165 1.00 18.92 C -ATOM 1862 NE ARG A 82 21.919 69.244 7.969 1.00 41.63 N -ATOM 1863 CZ ARG A 82 20.977 68.632 8.691 1.00 38.51 C -ATOM 1864 NH1 ARG A 82 19.715 69.089 8.731 1.00 33.68 N -ATOM 1865 NH2 ARG A 82 21.307 67.555 9.387 1.00 38.07 N -ATOM 1866 N SER A 83 26.376 67.905 5.537 1.00 10.76 N -ATOM 1867 CA SER A 83 27.491 67.424 4.701 1.00 11.30 C -ATOM 1868 C SER A 83 27.305 67.181 3.208 1.00 6.17 C -ATOM 1869 O SER A 83 28.297 66.884 2.547 1.00 8.10 O -ATOM 1870 CB SER A 83 28.080 66.115 5.275 1.00 6.00 C -ATOM 1871 OG SER A 83 27.145 65.043 5.227 1.00 10.48 O -ATOM 1872 N ALA A 84 26.112 67.312 2.666 1.00 6.00 N -ATOM 1873 CA ALA A 84 25.907 67.047 1.234 1.00 13.33 C -ATOM 1874 C ALA A 84 24.703 67.799 0.768 1.00 14.80 C -ATOM 1875 O ALA A 84 24.214 68.695 1.449 1.00 19.43 O -ATOM 1876 CB ALA A 84 25.678 65.541 0.972 1.00 22.03 C -ATOM 1877 N TRP A 85 24.214 67.430 -0.394 1.00 11.47 N -ATOM 1878 CA TRP A 85 23.019 68.068 -0.873 1.00 11.40 C -ATOM 1879 C TRP A 85 21.912 67.055 -1.014 1.00 10.37 C -ATOM 1880 O TRP A 85 22.139 65.862 -1.158 1.00 20.14 O -ATOM 1881 CB TRP A 85 23.300 68.713 -2.199 1.00 21.53 C -ATOM 1882 CG TRP A 85 23.682 70.120 -2.147 1.00 21.10 C -ATOM 1883 CD1 TRP A 85 22.833 71.166 -2.150 1.00 21.65 C -ATOM 1884 CD2 TRP A 85 24.991 70.665 -2.223 1.00 12.05 C -ATOM 1885 NE1 TRP A 85 23.526 72.342 -2.251 1.00 13.68 N -ATOM 1886 CE2 TRP A 85 24.856 72.063 -2.303 1.00 15.41 C -ATOM 1887 CE3 TRP A 85 26.257 70.115 -2.251 1.00 13.77 C -ATOM 1888 CZ2 TRP A 85 25.934 72.918 -2.411 1.00 6.21 C -ATOM 1889 CZ3 TRP A 85 27.344 70.964 -2.357 1.00 15.30 C -ATOM 1890 CH2 TRP A 85 27.172 72.349 -2.442 1.00 18.90 C -ATOM 1891 N VAL A 86 20.703 67.544 -1.041 1.00 6.00 N -ATOM 1892 CA VAL A 86 19.566 66.691 -1.097 1.00 6.00 C -ATOM 1893 C VAL A 86 18.480 67.505 -1.788 1.00 13.05 C -ATOM 1894 O VAL A 86 18.044 68.556 -1.278 1.00 19.10 O -ATOM 1895 CB VAL A 86 19.164 66.285 0.351 1.00 6.00 C -ATOM 1896 CG1 VAL A 86 17.905 65.475 0.357 1.00 7.70 C -ATOM 1897 CG2 VAL A 86 20.252 65.488 0.952 1.00 6.00 C -ATOM 1898 N ARG A 87 18.078 67.020 -2.960 1.00 17.12 N -ATOM 1899 CA ARG A 87 17.091 67.633 -3.828 1.00 19.39 C -ATOM 1900 C ARG A 87 15.949 66.657 -4.071 1.00 23.02 C -ATOM 1901 O ARG A 87 16.187 65.500 -4.343 1.00 27.12 O -ATOM 1902 CB ARG A 87 17.784 68.008 -5.140 1.00 14.28 C -ATOM 1903 CG ARG A 87 16.849 68.186 -6.314 1.00 29.50 C -ATOM 1904 CD ARG A 87 17.570 68.425 -7.657 1.00 30.53 C -ATOM 1905 NE ARG A 87 18.262 67.287 -8.268 1.00 37.35 N -ATOM 1906 CZ ARG A 87 19.565 67.275 -8.582 1.00 42.86 C -ATOM 1907 NH1 ARG A 87 20.323 68.349 -8.330 1.00 35.93 N -ATOM 1908 NH2 ARG A 87 20.115 66.203 -9.179 1.00 27.91 N -ATOM 1909 N ALA A 88 14.710 67.110 -3.974 1.00 30.45 N -ATOM 1910 CA ALA A 88 13.575 66.227 -4.192 1.00 32.40 C -ATOM 1911 C ALA A 88 13.623 65.688 -5.590 1.00 33.41 C -ATOM 1912 O ALA A 88 13.683 66.465 -6.532 1.00 42.77 O -ATOM 1913 CB ALA A 88 12.311 66.975 -4.006 1.00 31.17 C -ATOM 1914 N LYS A 89 13.631 64.370 -5.734 1.00 32.75 N -ATOM 1915 CA LYS A 89 13.653 63.750 -7.061 1.00 34.42 C -ATOM 1916 C LYS A 89 12.225 63.831 -7.615 1.00 30.90 C -ATOM 1917 O LYS A 89 11.980 63.888 -8.825 1.00 32.55 O -ATOM 1918 CB LYS A 89 14.120 62.293 -6.930 1.00 35.68 C -ATOM 1919 CG LYS A 89 14.923 61.824 -8.113 1.00 36.56 C -ATOM 1920 CD LYS A 89 15.513 60.411 -7.969 1.00 34.14 C -ATOM 1921 CE LYS A 89 14.535 59.261 -8.223 1.00 36.64 C -ATOM 1922 NZ LYS A 89 13.699 58.787 -7.090 1.00 31.48 N -ATOM 1923 N THR A 90 11.295 63.843 -6.665 1.00 30.89 N -ATOM 1924 CA THR A 90 9.860 63.965 -6.886 1.00 32.73 C -ATOM 1925 C THR A 90 9.328 64.859 -5.788 1.00 33.54 C -ATOM 1926 O THR A 90 10.102 65.461 -5.047 1.00 40.04 O -ATOM 1927 CB THR A 90 9.112 62.620 -6.779 1.00 34.98 C -ATOM 1928 OG1 THR A 90 9.450 62.011 -5.531 1.00 39.57 O -ATOM 1929 CG2 THR A 90 9.454 61.702 -7.948 1.00 40.12 C -ATOM 1930 N ALA A 91 8.018 64.961 -5.675 1.00 25.85 N -ATOM 1931 CA ALA A 91 7.469 65.797 -4.633 1.00 27.82 C -ATOM 1932 C ALA A 91 7.696 65.150 -3.272 1.00 33.09 C -ATOM 1933 O ALA A 91 7.710 63.934 -3.167 1.00 40.41 O -ATOM 1934 CB ALA A 91 6.001 65.988 -4.906 1.00 33.09 C -ATOM 1935 N CYS A 92 7.856 65.918 -2.207 1.00 36.14 N -ATOM 1936 CA CYS A 92 8.078 65.220 -0.961 1.00 44.77 C -ATOM 1937 C CYS A 92 7.499 65.844 0.302 1.00 51.16 C -ATOM 1938 O CYS A 92 7.872 66.968 0.679 1.00 55.00 O -ATOM 1939 CB CYS A 92 9.562 65.046 -0.727 1.00 45.43 C -ATOM 1940 SG CYS A 92 10.418 64.677 -2.190 1.00 41.87 S -ATOM 1941 N GLU A 93 6.573 65.131 0.942 1.00 45.15 N -ATOM 1942 CA GLU A 93 6.115 65.568 2.247 1.00 40.07 C -ATOM 1943 C GLU A 93 7.268 65.124 3.163 1.00 38.57 C -ATOM 1944 O GLU A 93 7.531 63.930 3.290 1.00 46.00 O -ATOM 1945 CB GLU A 93 4.852 64.846 2.683 1.00 40.37 C -ATOM 1946 CG GLU A 93 3.622 65.062 1.879 1.00 43.07 C -ATOM 1947 CD GLU A 93 2.458 64.267 2.448 1.00 46.73 C -ATOM 1948 OE1 GLU A 93 2.482 63.886 3.656 1.00 45.91 O -ATOM 1949 OE2 GLU A 93 1.512 64.026 1.669 1.00 50.53 O -ATOM 1950 N VAL A 94 7.953 66.063 3.784 1.00 25.26 N -ATOM 1951 CA VAL A 94 9.118 65.773 4.592 1.00 19.52 C -ATOM 1952 C VAL A 94 8.897 66.290 5.995 1.00 22.16 C -ATOM 1953 O VAL A 94 8.955 67.495 6.223 1.00 27.41 O -ATOM 1954 CB VAL A 94 10.345 66.451 3.948 1.00 27.22 C -ATOM 1955 CG1 VAL A 94 11.586 66.291 4.798 1.00 34.77 C -ATOM 1956 CG2 VAL A 94 10.571 65.836 2.611 1.00 34.72 C -ATOM 1957 N ALA A 95 8.633 65.384 6.932 1.00 21.55 N -ATOM 1958 CA ALA A 95 8.413 65.749 8.331 1.00 19.89 C -ATOM 1959 C ALA A 95 9.648 66.317 8.977 1.00 17.88 C -ATOM 1960 O ALA A 95 10.783 66.018 8.599 1.00 20.23 O -ATOM 1961 CB ALA A 95 7.982 64.536 9.155 1.00 23.50 C -ATOM 1962 N GLU A 96 9.410 67.107 10.005 1.00 25.98 N -ATOM 1963 CA GLU A 96 10.490 67.661 10.767 1.00 29.50 C -ATOM 1964 C GLU A 96 10.201 67.791 12.252 1.00 33.73 C -ATOM 1965 O GLU A 96 9.084 68.046 12.689 1.00 35.78 O -ATOM 1966 CB GLU A 96 10.866 69.051 10.274 1.00 27.63 C -ATOM 1967 CG GLU A 96 11.637 69.106 9.007 1.00 32.63 C -ATOM 1968 CD GLU A 96 10.858 69.759 7.912 1.00 44.18 C -ATOM 1969 OE1 GLU A 96 11.466 70.476 7.088 1.00 45.71 O -ATOM 1970 OE2 GLU A 96 9.629 69.551 7.882 1.00 53.20 O -ATOM 1971 N ILE A 97 11.291 67.564 12.971 1.00 36.22 N -ATOM 1972 CA ILE A 97 11.520 67.749 14.392 1.00 37.13 C -ATOM 1973 C ILE A 97 12.756 68.579 14.553 1.00 35.72 C -ATOM 1974 O ILE A 97 13.247 69.075 13.552 1.00 32.79 O -ATOM 1975 CB ILE A 97 11.823 66.431 15.203 1.00 36.02 C -ATOM 1976 CG1 ILE A 97 11.163 65.223 14.564 1.00 35.70 C -ATOM 1977 CG2 ILE A 97 11.213 66.545 16.624 1.00 24.59 C -ATOM 1978 CD1 ILE A 97 11.442 63.942 15.305 1.00 39.90 C -ATOM 1979 N SER A 98 13.287 68.758 15.749 1.00 40.49 N -ATOM 1980 CA SER A 98 14.551 69.491 15.807 1.00 43.85 C -ATOM 1981 C SER A 98 15.480 68.575 16.566 1.00 42.09 C -ATOM 1982 O SER A 98 15.022 67.554 17.113 1.00 41.20 O -ATOM 1983 CB SER A 98 14.391 70.858 16.548 1.00 42.58 C -ATOM 1984 OG SER A 98 14.027 70.740 17.910 1.00 44.95 O -ATOM 1985 N TYR A 99 16.764 68.873 16.614 1.00 35.58 N -ATOM 1986 CA TYR A 99 17.617 67.921 17.281 1.00 38.18 C -ATOM 1987 C TYR A 99 17.200 67.637 18.724 1.00 41.10 C -ATOM 1988 O TYR A 99 17.006 66.472 19.136 1.00 35.74 O -ATOM 1989 CB TYR A 99 19.056 68.436 17.217 1.00 32.98 C -ATOM 1990 CG TYR A 99 19.697 68.180 15.859 1.00 25.49 C -ATOM 1991 CD1 TYR A 99 18.969 67.607 14.814 1.00 29.95 C -ATOM 1992 CD2 TYR A 99 21.021 68.488 15.627 1.00 22.03 C -ATOM 1993 CE1 TYR A 99 19.544 67.349 13.585 1.00 23.04 C -ATOM 1994 CE2 TYR A 99 21.607 68.239 14.409 1.00 19.43 C -ATOM 1995 CZ TYR A 99 20.866 67.666 13.384 1.00 22.99 C -ATOM 1996 OH TYR A 99 21.449 67.402 12.167 1.00 22.80 O -ATOM 1997 N LYS A 100 16.998 68.708 19.480 1.00 45.21 N -ATOM 1998 CA LYS A 100 16.676 68.561 20.889 1.00 43.00 C -ATOM 1999 C LYS A 100 15.340 67.917 21.120 1.00 40.20 C -ATOM 2000 O LYS A 100 15.254 67.016 21.960 1.00 41.22 O -ATOM 2001 CB LYS A 100 16.724 69.934 21.591 1.00 35.73 C -ATOM 2002 CG LYS A 100 18.161 70.482 21.720 1.00 29.76 C -ATOM 2003 CD LYS A 100 18.414 71.768 20.923 1.00 33.34 C -ATOM 2004 CE LYS A 100 18.210 71.711 19.371 1.00 32.98 C -ATOM 2005 NZ LYS A 100 16.791 71.664 18.855 1.00 32.31 N -ATOM 2006 N LYS A 101 14.299 68.313 20.396 1.00 24.97 N -ATOM 2007 CA LYS A 101 13.056 67.660 20.732 1.00 29.84 C -ATOM 2008 C LYS A 101 13.182 66.176 20.428 1.00 37.14 C -ATOM 2009 O LYS A 101 12.539 65.330 21.077 1.00 41.51 O -ATOM 2010 CB LYS A 101 11.893 68.258 19.947 1.00 37.74 C -ATOM 2011 CG LYS A 101 10.519 67.818 20.523 1.00 43.67 C -ATOM 2012 CD LYS A 101 10.494 68.057 22.042 1.00 43.49 C -ATOM 2013 CE LYS A 101 9.179 67.691 22.696 1.00 50.32 C -ATOM 2014 NZ LYS A 101 9.374 67.623 24.180 1.00 43.61 N -ATOM 2015 N PHE A 102 14.044 65.860 19.463 1.00 45.97 N -ATOM 2016 CA PHE A 102 14.285 64.473 19.109 1.00 40.49 C -ATOM 2017 C PHE A 102 14.964 63.738 20.278 1.00 33.92 C -ATOM 2018 O PHE A 102 14.473 62.698 20.702 1.00 35.16 O -ATOM 2019 CB PHE A 102 15.173 64.382 17.859 1.00 30.78 C -ATOM 2020 CG PHE A 102 15.397 62.981 17.421 1.00 19.48 C -ATOM 2021 CD1 PHE A 102 14.377 62.268 16.870 1.00 21.14 C -ATOM 2022 CD2 PHE A 102 16.623 62.382 17.582 1.00 26.31 C -ATOM 2023 CE1 PHE A 102 14.565 60.979 16.484 1.00 25.78 C -ATOM 2024 CE2 PHE A 102 16.836 61.075 17.197 1.00 28.19 C -ATOM 2025 CZ PHE A 102 15.816 60.372 16.646 1.00 25.60 C -ATOM 2026 N ARG A 103 16.073 64.260 20.806 1.00 33.19 N -ATOM 2027 CA ARG A 103 16.729 63.605 21.947 1.00 37.05 C -ATOM 2028 C ARG A 103 15.728 63.449 23.119 1.00 43.35 C -ATOM 2029 O ARG A 103 15.731 62.435 23.839 1.00 43.03 O -ATOM 2030 CB ARG A 103 17.916 64.432 22.421 1.00 33.00 C -ATOM 2031 CG ARG A 103 18.814 64.818 21.332 1.00 24.18 C -ATOM 2032 CD ARG A 103 19.932 65.615 21.893 1.00 28.95 C -ATOM 2033 NE ARG A 103 20.518 66.415 20.820 1.00 35.23 N -ATOM 2034 CZ ARG A 103 21.816 66.637 20.659 1.00 29.70 C -ATOM 2035 NH1 ARG A 103 22.710 66.122 21.495 1.00 30.43 N -ATOM 2036 NH2 ARG A 103 22.221 67.395 19.658 1.00 38.48 N -ATOM 2037 N GLN A 104 14.892 64.474 23.302 1.00 36.81 N -ATOM 2038 CA GLN A 104 13.846 64.470 24.308 1.00 35.02 C -ATOM 2039 C GLN A 104 12.879 63.373 23.940 1.00 32.89 C -ATOM 2040 O GLN A 104 12.262 62.769 24.786 1.00 36.28 O -ATOM 2041 CB GLN A 104 13.140 65.842 24.331 1.00 45.28 C -ATOM 2042 CG GLN A 104 13.956 66.951 25.042 1.00 47.48 C -ATOM 2043 CD GLN A 104 13.487 68.386 24.755 1.00 53.21 C -ATOM 2044 OE1 GLN A 104 12.301 68.727 24.868 1.00 48.25 O -ATOM 2045 NE2 GLN A 104 14.444 69.236 24.383 1.00 52.30 N -ATOM 2046 N LEU A 105 12.758 63.127 22.649 1.00 33.82 N -ATOM 2047 CA LEU A 105 11.908 62.077 22.132 1.00 34.59 C -ATOM 2048 C LEU A 105 12.575 60.723 22.230 1.00 37.42 C -ATOM 2049 O LEU A 105 11.919 59.709 21.962 1.00 42.68 O -ATOM 2050 CB LEU A 105 11.579 62.342 20.677 1.00 45.85 C -ATOM 2051 CG LEU A 105 10.730 63.542 20.304 1.00 43.79 C -ATOM 2052 CD1 LEU A 105 10.920 63.884 18.835 1.00 50.06 C -ATOM 2053 CD2 LEU A 105 9.304 63.229 20.645 1.00 43.91 C -ATOM 2054 N ILE A 106 13.868 60.699 22.563 1.00 40.48 N -ATOM 2055 CA ILE A 106 14.614 59.434 22.677 1.00 42.64 C -ATOM 2056 C ILE A 106 14.595 58.810 24.083 1.00 47.81 C -ATOM 2057 O ILE A 106 14.244 57.625 24.228 1.00 51.24 O -ATOM 2058 CB ILE A 106 16.105 59.544 22.372 1.00 36.82 C -ATOM 2059 CG1 ILE A 106 16.359 60.281 21.078 1.00 41.93 C -ATOM 2060 CG2 ILE A 106 16.661 58.133 22.176 1.00 42.11 C -ATOM 2061 CD1 ILE A 106 17.837 60.397 20.805 1.00 39.03 C -ATOM 2062 N GLN A 107 15.003 59.590 25.098 1.00 47.45 N -ATOM 2063 CA GLN A 107 15.083 59.127 26.491 1.00 44.95 C -ATOM 2064 C GLN A 107 13.720 58.642 27.008 1.00 41.91 C -ATOM 2065 O GLN A 107 13.572 58.302 28.181 1.00 47.41 O -ATOM 2066 CB GLN A 107 15.637 60.284 27.346 1.00 52.08 C -ATOM 2067 CG GLN A 107 16.568 59.913 28.541 1.00 52.32 C -ATOM 2068 CD GLN A 107 15.862 59.661 29.885 1.00 55.00 C -ATOM 2069 OE1 GLN A 107 16.185 58.702 30.591 1.00 52.60 O -ATOM 2070 NE2 GLN A 107 14.917 60.537 30.251 1.00 52.61 N -ATOM 2071 N VAL A 108 12.712 58.676 26.142 1.00 38.72 N -ATOM 2072 CA VAL A 108 11.360 58.338 26.538 1.00 41.32 C -ATOM 2073 C VAL A 108 11.091 56.989 25.817 1.00 48.15 C -ATOM 2074 O VAL A 108 11.154 55.962 26.480 1.00 52.87 O -ATOM 2075 CB VAL A 108 10.315 59.411 26.071 1.00 47.46 C -ATOM 2076 CG1 VAL A 108 8.914 59.040 26.584 1.00 52.09 C -ATOM 2077 CG2 VAL A 108 10.692 60.777 26.618 1.00 50.35 C -ATOM 2078 N ASN A 109 10.869 56.931 24.496 1.00 51.35 N -ATOM 2079 CA ASN A 109 10.745 55.637 23.727 1.00 50.46 C -ATOM 2080 C ASN A 109 11.969 55.350 22.877 1.00 46.80 C -ATOM 2081 O ASN A 109 12.034 55.776 21.729 1.00 52.04 O -ATOM 2082 CB ASN A 109 9.546 55.532 22.769 1.00 54.74 C -ATOM 2083 CG ASN A 109 9.575 54.228 21.942 1.00 55.00 C -ATOM 2084 OD1 ASN A 109 10.471 53.395 22.102 1.00 50.39 O -ATOM 2085 ND2 ASN A 109 8.596 54.056 21.062 1.00 55.00 N -ATOM 2086 N PRO A 110 12.902 54.537 23.380 1.00 47.69 N -ATOM 2087 CA PRO A 110 14.184 54.312 22.696 1.00 45.67 C -ATOM 2088 C PRO A 110 14.043 53.766 21.261 1.00 43.39 C -ATOM 2089 O PRO A 110 14.993 53.821 20.470 1.00 38.25 O -ATOM 2090 CB PRO A 110 14.914 53.371 23.652 1.00 44.78 C -ATOM 2091 CG PRO A 110 13.754 52.501 24.152 1.00 43.86 C -ATOM 2092 CD PRO A 110 12.804 53.626 24.564 1.00 46.08 C -ATOM 2093 N ASP A 111 12.848 53.311 20.904 1.00 37.97 N -ATOM 2094 CA ASP A 111 12.653 52.671 19.625 1.00 39.63 C -ATOM 2095 C ASP A 111 13.221 53.406 18.418 1.00 44.48 C -ATOM 2096 O ASP A 111 14.062 52.808 17.717 1.00 39.40 O -ATOM 2097 CB ASP A 111 11.161 52.423 19.393 1.00 48.25 C -ATOM 2098 CG ASP A 111 10.895 51.126 18.591 1.00 48.08 C -ATOM 2099 OD1 ASP A 111 11.851 50.322 18.419 1.00 43.79 O -ATOM 2100 OD2 ASP A 111 9.738 50.901 18.145 1.00 47.39 O -ATOM 2101 N ILE A 112 12.816 54.667 18.167 1.00 48.35 N -ATOM 2102 CA ILE A 112 13.295 55.373 16.956 1.00 44.75 C -ATOM 2103 C ILE A 112 14.773 55.701 16.961 1.00 41.87 C -ATOM 2104 O ILE A 112 15.311 55.940 15.867 1.00 48.94 O -ATOM 2105 CB ILE A 112 12.531 56.748 16.647 1.00 36.77 C -ATOM 2106 CG1 ILE A 112 12.367 57.586 17.918 1.00 37.30 C -ATOM 2107 CG2 ILE A 112 11.223 56.426 15.958 1.00 34.08 C -ATOM 2108 CD1 ILE A 112 13.649 58.261 18.423 1.00 36.80 C -ATOM 2109 N LEU A 113 15.446 55.745 18.113 1.00 31.61 N -ATOM 2110 CA LEU A 113 16.881 55.939 17.971 1.00 27.12 C -ATOM 2111 C LEU A 113 17.323 54.705 17.234 1.00 27.97 C -ATOM 2112 O LEU A 113 18.153 54.775 16.328 1.00 25.44 O -ATOM 2113 CB LEU A 113 17.656 55.983 19.294 1.00 22.58 C -ATOM 2114 CG LEU A 113 19.141 56.235 18.988 1.00 18.06 C -ATOM 2115 CD1 LEU A 113 19.228 57.151 17.782 1.00 19.08 C -ATOM 2116 CD2 LEU A 113 19.853 56.889 20.172 1.00 20.10 C -ATOM 2117 N MET A 114 16.709 53.581 17.605 1.00 26.77 N -ATOM 2118 CA MET A 114 17.028 52.332 16.953 1.00 30.66 C -ATOM 2119 C MET A 114 16.657 52.385 15.517 1.00 32.97 C -ATOM 2120 O MET A 114 17.494 52.024 14.703 1.00 45.97 O -ATOM 2121 CB MET A 114 16.300 51.130 17.575 1.00 33.30 C -ATOM 2122 CG MET A 114 17.002 50.465 18.783 1.00 37.71 C -ATOM 2123 SD MET A 114 18.657 49.730 18.472 1.00 45.94 S -ATOM 2124 CE MET A 114 18.267 48.085 17.927 1.00 48.02 C -ATOM 2125 N ARG A 115 15.449 52.827 15.170 1.00 34.44 N -ATOM 2126 CA ARG A 115 15.096 52.839 13.735 1.00 34.05 C -ATOM 2127 C ARG A 115 15.974 53.780 12.918 1.00 25.98 C -ATOM 2128 O ARG A 115 16.183 53.550 11.743 1.00 28.70 O -ATOM 2129 CB ARG A 115 13.595 53.211 13.520 1.00 28.57 C -ATOM 2130 CG ARG A 115 12.626 51.996 13.837 1.00 24.98 C -ATOM 2131 CD ARG A 115 11.093 52.206 13.574 1.00 27.12 C -ATOM 2132 NE ARG A 115 10.280 51.531 14.598 1.00 28.89 N -ATOM 2133 CZ ARG A 115 8.998 51.138 14.498 1.00 35.35 C -ATOM 2134 NH1 ARG A 115 8.269 51.314 13.393 1.00 27.17 N -ATOM 2135 NH2 ARG A 115 8.405 50.582 15.559 1.00 34.01 N -ATOM 2136 N LEU A 116 16.528 54.815 13.517 1.00 25.40 N -ATOM 2137 CA LEU A 116 17.410 55.673 12.750 1.00 20.29 C -ATOM 2138 C LEU A 116 18.768 54.960 12.568 1.00 27.21 C -ATOM 2139 O LEU A 116 19.220 54.727 11.451 1.00 37.20 O -ATOM 2140 CB LEU A 116 17.569 56.990 13.497 1.00 24.72 C -ATOM 2141 CG LEU A 116 18.483 58.072 12.934 1.00 27.81 C -ATOM 2142 CD1 LEU A 116 17.667 59.205 12.381 1.00 33.13 C -ATOM 2143 CD2 LEU A 116 19.365 58.610 14.058 1.00 30.23 C -ATOM 2144 N SER A 117 19.415 54.578 13.662 1.00 38.07 N -ATOM 2145 CA SER A 117 20.719 53.884 13.625 1.00 36.79 C -ATOM 2146 C SER A 117 20.775 52.740 12.617 1.00 37.19 C -ATOM 2147 O SER A 117 21.813 52.478 11.992 1.00 42.34 O -ATOM 2148 CB SER A 117 21.069 53.295 14.996 1.00 38.67 C -ATOM 2149 OG SER A 117 21.440 54.306 15.913 1.00 36.02 O -ATOM 2150 N ALA A 118 19.663 52.040 12.476 1.00 22.60 N -ATOM 2151 CA ALA A 118 19.629 50.945 11.554 1.00 19.84 C -ATOM 2152 C ALA A 118 19.901 51.440 10.131 1.00 22.40 C -ATOM 2153 O ALA A 118 20.735 50.855 9.421 1.00 27.22 O -ATOM 2154 CB ALA A 118 18.265 50.268 11.648 1.00 24.15 C -ATOM 2155 N GLN A 119 19.221 52.526 9.727 1.00 28.22 N -ATOM 2156 CA GLN A 119 19.362 53.105 8.372 1.00 24.21 C -ATOM 2157 C GLN A 119 20.757 53.580 8.133 1.00 23.19 C -ATOM 2158 O GLN A 119 21.231 53.510 7.012 1.00 30.33 O -ATOM 2159 CB GLN A 119 18.427 54.288 8.166 1.00 18.30 C -ATOM 2160 CG GLN A 119 16.947 53.888 8.132 1.00 17.35 C -ATOM 2161 CD GLN A 119 16.015 55.084 8.034 1.00 14.29 C -ATOM 2162 OE1 GLN A 119 16.451 56.249 7.981 1.00 17.80 O -ATOM 2163 NE2 GLN A 119 14.723 54.806 7.998 1.00 7.09 N -ATOM 2164 N MET A 120 21.414 54.052 9.186 1.00 19.53 N -ATOM 2165 CA MET A 120 22.786 54.523 9.091 1.00 14.14 C -ATOM 2166 C MET A 120 23.732 53.344 9.010 1.00 14.33 C -ATOM 2167 O MET A 120 24.902 53.517 8.733 1.00 24.43 O -ATOM 2168 CB MET A 120 23.191 55.363 10.317 1.00 19.81 C -ATOM 2169 CG MET A 120 22.223 56.439 10.763 1.00 19.08 C -ATOM 2170 SD MET A 120 23.222 57.697 11.506 1.00 23.10 S -ATOM 2171 CE MET A 120 23.537 57.081 13.075 1.00 10.79 C -ATOM 2172 N ALA A 121 23.259 52.145 9.311 1.00 20.50 N -ATOM 2173 CA ALA A 121 24.121 50.970 9.204 1.00 18.62 C -ATOM 2174 C ALA A 121 24.156 50.560 7.731 1.00 18.96 C -ATOM 2175 O ALA A 121 25.211 50.337 7.152 1.00 15.12 O -ATOM 2176 CB ALA A 121 23.560 49.851 10.061 1.00 17.10 C -ATOM 2177 N ARG A 122 22.987 50.464 7.119 1.00 20.50 N -ATOM 2178 CA ARG A 122 22.920 50.153 5.698 1.00 18.16 C -ATOM 2179 C ARG A 122 23.799 51.131 4.940 1.00 21.10 C -ATOM 2180 O ARG A 122 24.712 50.739 4.200 1.00 27.08 O -ATOM 2181 CB ARG A 122 21.519 50.315 5.131 1.00 26.23 C -ATOM 2182 CG ARG A 122 20.632 49.118 4.997 1.00 32.55 C -ATOM 2183 CD ARG A 122 21.245 48.032 4.128 1.00 36.45 C -ATOM 2184 NE ARG A 122 22.133 47.193 4.924 1.00 29.17 N -ATOM 2185 CZ ARG A 122 21.705 46.407 5.904 1.00 31.31 C -ATOM 2186 NH1 ARG A 122 20.404 46.360 6.189 1.00 15.69 N -ATOM 2187 NH2 ARG A 122 22.574 45.687 6.608 1.00 34.39 N -ATOM 2188 N ARG A 123 23.537 52.422 5.137 1.00 13.99 N -ATOM 2189 CA ARG A 123 24.270 53.428 4.383 1.00 6.00 C -ATOM 2190 C ARG A 123 25.763 53.258 4.407 1.00 6.00 C -ATOM 2191 O ARG A 123 26.442 53.500 3.420 1.00 15.85 O -ATOM 2192 CB ARG A 123 23.933 54.805 4.895 1.00 6.00 C -ATOM 2193 CG ARG A 123 22.506 55.089 4.676 1.00 6.00 C -ATOM 2194 CD ARG A 123 22.106 56.403 5.197 1.00 10.26 C -ATOM 2195 NE ARG A 123 20.651 56.496 5.193 1.00 13.27 N -ATOM 2196 CZ ARG A 123 20.015 57.592 5.590 1.00 13.62 C -ATOM 2197 NH1 ARG A 123 20.722 58.637 6.011 1.00 14.69 N -ATOM 2198 NH2 ARG A 123 18.689 57.658 5.531 1.00 16.88 N -ATOM 2199 N LEU A 124 26.319 52.814 5.505 1.00 9.91 N -ATOM 2200 CA LEU A 124 27.761 52.718 5.489 1.00 11.28 C -ATOM 2201 C LEU A 124 28.113 51.476 4.713 1.00 10.41 C -ATOM 2202 O LEU A 124 29.233 51.355 4.194 1.00 16.33 O -ATOM 2203 CB LEU A 124 28.307 52.645 6.931 1.00 6.34 C -ATOM 2204 CG LEU A 124 29.815 52.737 7.161 1.00 12.65 C -ATOM 2205 CD1 LEU A 124 30.422 54.077 6.678 1.00 6.00 C -ATOM 2206 CD2 LEU A 124 30.005 52.537 8.664 1.00 16.00 C -ATOM 2207 N GLN A 125 27.190 50.518 4.660 1.00 7.92 N -ATOM 2208 CA GLN A 125 27.510 49.324 3.878 1.00 8.94 C -ATOM 2209 C GLN A 125 27.444 49.722 2.431 1.00 8.42 C -ATOM 2210 O GLN A 125 28.398 49.513 1.683 1.00 17.44 O -ATOM 2211 CB GLN A 125 26.517 48.203 4.105 1.00 15.87 C -ATOM 2212 CG GLN A 125 26.741 47.346 5.288 1.00 16.47 C -ATOM 2213 CD GLN A 125 25.516 46.564 5.541 1.00 15.39 C -ATOM 2214 OE1 GLN A 125 24.528 47.149 5.871 1.00 21.61 O -ATOM 2215 NE2 GLN A 125 25.545 45.247 5.346 1.00 28.19 N -ATOM 2216 N VAL A 126 26.347 50.346 2.042 1.00 6.00 N -ATOM 2217 CA VAL A 126 26.253 50.702 0.670 1.00 6.00 C -ATOM 2218 C VAL A 126 27.383 51.622 0.227 1.00 8.10 C -ATOM 2219 O VAL A 126 27.978 51.406 -0.846 1.00 17.67 O -ATOM 2220 CB VAL A 126 24.928 51.357 0.416 1.00 6.00 C -ATOM 2221 CG1 VAL A 126 24.803 51.780 -1.051 1.00 13.12 C -ATOM 2222 CG2 VAL A 126 23.849 50.360 0.749 1.00 7.74 C -ATOM 2223 N THR A 127 27.721 52.604 1.052 1.00 6.00 N -ATOM 2224 CA THR A 127 28.733 53.532 0.690 1.00 6.00 C -ATOM 2225 C THR A 127 30.055 52.911 0.657 1.00 6.00 C -ATOM 2226 O THR A 127 30.918 53.374 -0.087 1.00 13.11 O -ATOM 2227 CB THR A 127 28.745 54.701 1.657 1.00 11.39 C -ATOM 2228 OG1 THR A 127 27.427 55.255 1.683 1.00 13.01 O -ATOM 2229 CG2 THR A 127 29.694 55.832 1.192 1.00 6.00 C -ATOM 2230 N SER A 128 30.259 51.878 1.462 1.00 12.31 N -ATOM 2231 CA SER A 128 31.563 51.178 1.477 1.00 14.09 C -ATOM 2232 C SER A 128 31.762 50.427 0.187 1.00 10.53 C -ATOM 2233 O SER A 128 32.861 50.334 -0.308 1.00 6.00 O -ATOM 2234 CB SER A 128 31.655 50.170 2.631 1.00 10.98 C -ATOM 2235 OG SER A 128 31.974 50.830 3.844 1.00 14.25 O -ATOM 2236 N GLU A 129 30.650 49.883 -0.309 1.00 20.35 N -ATOM 2237 CA GLU A 129 30.589 49.141 -1.543 1.00 23.84 C -ATOM 2238 C GLU A 129 30.949 50.110 -2.668 1.00 22.94 C -ATOM 2239 O GLU A 129 31.856 49.806 -3.488 1.00 22.27 O -ATOM 2240 CB GLU A 129 29.173 48.588 -1.726 1.00 23.35 C -ATOM 2241 CG GLU A 129 28.958 47.628 -2.886 1.00 25.33 C -ATOM 2242 CD GLU A 129 27.500 47.672 -3.411 1.00 40.56 C -ATOM 2243 OE1 GLU A 129 26.597 48.146 -2.682 1.00 38.47 O -ATOM 2244 OE2 GLU A 129 27.238 47.256 -4.573 1.00 47.90 O -ATOM 2245 N LYS A 130 30.272 51.270 -2.686 1.00 9.38 N -ATOM 2246 CA LYS A 130 30.550 52.281 -3.708 1.00 7.04 C -ATOM 2247 C LYS A 130 32.003 52.608 -3.794 1.00 7.28 C -ATOM 2248 O LYS A 130 32.503 52.849 -4.882 1.00 13.23 O -ATOM 2249 CB LYS A 130 29.827 53.602 -3.455 1.00 8.63 C -ATOM 2250 CG LYS A 130 30.187 54.652 -4.516 1.00 12.81 C -ATOM 2251 CD LYS A 130 29.368 55.948 -4.450 1.00 16.18 C -ATOM 2252 CE LYS A 130 27.935 55.780 -4.926 1.00 12.95 C -ATOM 2253 NZ LYS A 130 27.781 56.616 -6.148 1.00 22.30 N -ATOM 2254 N VAL A 131 32.684 52.656 -2.652 1.00 8.09 N -ATOM 2255 CA VAL A 131 34.114 52.926 -2.690 1.00 7.49 C -ATOM 2256 C VAL A 131 34.848 51.662 -3.126 1.00 8.99 C -ATOM 2257 O VAL A 131 36.014 51.685 -3.466 1.00 19.06 O -ATOM 2258 CB VAL A 131 34.600 53.392 -1.305 1.00 6.00 C -ATOM 2259 CG1 VAL A 131 36.077 53.814 -1.366 1.00 6.00 C -ATOM 2260 CG2 VAL A 131 33.742 54.559 -0.858 1.00 6.00 C -ATOM 2261 N GLY A 132 34.178 50.519 -3.073 1.00 11.39 N -ATOM 2262 CA GLY A 132 34.810 49.342 -3.623 1.00 6.63 C -ATOM 2263 C GLY A 132 34.719 49.479 -5.150 1.00 13.79 C -ATOM 2264 O GLY A 132 35.727 49.433 -5.891 1.00 6.00 O -ATOM 2265 N ASN A 133 33.493 49.698 -5.632 1.00 13.46 N -ATOM 2266 CA ASN A 133 33.268 49.866 -7.061 1.00 15.82 C -ATOM 2267 C ASN A 133 34.171 50.944 -7.692 1.00 15.49 C -ATOM 2268 O ASN A 133 34.839 50.661 -8.681 1.00 23.40 O -ATOM 2269 CB ASN A 133 31.793 50.185 -7.281 1.00 16.61 C -ATOM 2270 CG ASN A 133 30.907 49.006 -6.889 1.00 28.00 C -ATOM 2271 OD1 ASN A 133 31.415 47.957 -6.479 1.00 32.39 O -ATOM 2272 ND2 ASN A 133 29.592 49.165 -7.004 1.00 21.42 N -ATOM 2273 N LEU A 134 34.261 52.142 -7.130 1.00 14.32 N -ATOM 2274 CA LEU A 134 35.111 53.170 -7.727 1.00 6.00 C -ATOM 2275 C LEU A 134 36.531 52.736 -7.784 1.00 6.00 C -ATOM 2276 O LEU A 134 37.214 52.973 -8.747 1.00 6.00 O -ATOM 2277 CB LEU A 134 35.015 54.456 -6.923 1.00 6.52 C -ATOM 2278 CG LEU A 134 33.641 55.101 -7.002 1.00 6.00 C -ATOM 2279 CD1 LEU A 134 33.357 56.084 -5.916 1.00 6.00 C -ATOM 2280 CD2 LEU A 134 33.643 55.812 -8.335 1.00 8.39 C -ATOM 2281 N ALA A 135 36.988 52.081 -6.744 1.00 6.00 N -ATOM 2282 CA ALA A 135 38.371 51.661 -6.713 1.00 7.49 C -ATOM 2283 C ALA A 135 38.695 50.369 -7.487 1.00 13.28 C -ATOM 2284 O ALA A 135 39.851 50.177 -7.925 1.00 10.07 O -ATOM 2285 CB ALA A 135 38.788 51.493 -5.287 1.00 8.22 C -ATOM 2286 N PHE A 136 37.733 49.463 -7.644 1.00 11.22 N -ATOM 2287 CA PHE A 136 38.050 48.207 -8.336 1.00 12.27 C -ATOM 2288 C PHE A 136 37.510 48.069 -9.758 1.00 18.15 C -ATOM 2289 O PHE A 136 38.240 47.615 -10.625 1.00 20.61 O -ATOM 2290 CB PHE A 136 37.527 47.002 -7.554 1.00 15.98 C -ATOM 2291 CG PHE A 136 38.115 46.833 -6.169 1.00 9.70 C -ATOM 2292 CD1 PHE A 136 39.408 47.235 -5.890 1.00 6.00 C -ATOM 2293 CD2 PHE A 136 37.351 46.237 -5.170 1.00 8.62 C -ATOM 2294 CE1 PHE A 136 39.936 47.057 -4.674 1.00 10.48 C -ATOM 2295 CE2 PHE A 136 37.867 46.050 -3.940 1.00 15.19 C -ATOM 2296 CZ PHE A 136 39.170 46.463 -3.679 1.00 7.26 C -ATOM 2297 N LEU A 137 36.246 48.412 -10.001 1.00 14.88 N -ATOM 2298 CA LEU A 137 35.623 48.245 -11.330 1.00 14.02 C -ATOM 2299 C LEU A 137 36.005 49.277 -12.358 1.00 16.69 C -ATOM 2300 O LEU A 137 36.425 50.377 -12.007 1.00 18.42 O -ATOM 2301 CB LEU A 137 34.095 48.285 -11.246 1.00 13.92 C -ATOM 2302 CG LEU A 137 33.285 46.992 -11.118 1.00 18.52 C -ATOM 2303 CD1 LEU A 137 34.235 45.819 -11.204 1.00 13.90 C -ATOM 2304 CD2 LEU A 137 32.528 46.974 -9.862 1.00 10.79 C -ATOM 2305 N ASP A 138 35.892 48.909 -13.638 1.00 18.47 N -ATOM 2306 CA ASP A 138 36.075 49.900 -14.701 1.00 20.43 C -ATOM 2307 C ASP A 138 34.683 50.375 -15.058 1.00 15.80 C -ATOM 2308 O ASP A 138 33.692 49.779 -14.642 1.00 21.43 O -ATOM 2309 CB ASP A 138 36.789 49.316 -15.979 1.00 24.22 C -ATOM 2310 CG ASP A 138 36.089 48.116 -16.621 1.00 26.66 C -ATOM 2311 OD1 ASP A 138 34.874 47.871 -16.389 1.00 28.12 O -ATOM 2312 OD2 ASP A 138 36.802 47.410 -17.380 1.00 19.30 O -ATOM 2313 N VAL A 139 34.597 51.415 -15.863 1.00 11.09 N -ATOM 2314 CA VAL A 139 33.297 51.997 -16.168 1.00 10.60 C -ATOM 2315 C VAL A 139 32.211 50.990 -16.565 1.00 8.76 C -ATOM 2316 O VAL A 139 31.141 50.991 -15.947 1.00 19.97 O -ATOM 2317 CB VAL A 139 33.421 53.060 -17.306 1.00 23.65 C -ATOM 2318 CG1 VAL A 139 32.126 53.838 -17.415 1.00 27.54 C -ATOM 2319 CG2 VAL A 139 34.571 54.013 -17.013 1.00 27.60 C -ATOM 2320 N THR A 140 32.412 50.135 -17.554 1.00 6.90 N -ATOM 2321 CA THR A 140 31.315 49.225 -17.879 1.00 6.00 C -ATOM 2322 C THR A 140 30.966 48.455 -16.624 1.00 6.00 C -ATOM 2323 O THR A 140 29.806 48.228 -16.340 1.00 11.30 O -ATOM 2324 CB THR A 140 31.727 48.261 -19.009 1.00 9.97 C -ATOM 2325 OG1 THR A 140 32.537 48.964 -19.966 1.00 14.22 O -ATOM 2326 CG2 THR A 140 30.481 47.773 -19.787 1.00 8.92 C -ATOM 2327 N GLY A 141 31.974 48.094 -15.842 1.00 6.00 N -ATOM 2328 CA GLY A 141 31.715 47.429 -14.582 1.00 6.00 C -ATOM 2329 C GLY A 141 30.776 48.280 -13.774 1.00 6.00 C -ATOM 2330 O GLY A 141 29.593 47.947 -13.632 1.00 6.00 O -ATOM 2331 N ARG A 142 31.269 49.410 -13.275 1.00 8.33 N -ATOM 2332 CA ARG A 142 30.418 50.321 -12.491 1.00 8.67 C -ATOM 2333 C ARG A 142 29.060 50.640 -13.185 1.00 14.33 C -ATOM 2334 O ARG A 142 28.063 50.771 -12.491 1.00 24.43 O -ATOM 2335 CB ARG A 142 31.098 51.673 -12.239 1.00 14.77 C -ATOM 2336 CG ARG A 142 32.577 51.727 -11.785 1.00 15.47 C -ATOM 2337 CD ARG A 142 32.890 53.245 -11.747 1.00 12.12 C -ATOM 2338 NE ARG A 142 34.264 53.647 -12.052 1.00 17.85 N -ATOM 2339 CZ ARG A 142 34.586 54.785 -12.682 1.00 28.81 C -ATOM 2340 NH1 ARG A 142 33.637 55.641 -13.081 1.00 17.92 N -ATOM 2341 NH2 ARG A 142 35.862 55.074 -12.932 1.00 30.01 N -ATOM 2342 N ILE A 143 28.963 50.798 -14.504 1.00 9.10 N -ATOM 2343 CA ILE A 143 27.638 51.093 -15.077 1.00 13.32 C -ATOM 2344 C ILE A 143 26.683 49.885 -15.028 1.00 9.08 C -ATOM 2345 O ILE A 143 25.474 50.048 -14.825 1.00 9.51 O -ATOM 2346 CB ILE A 143 27.719 51.531 -16.546 1.00 7.25 C -ATOM 2347 CG1 ILE A 143 28.510 52.823 -16.666 1.00 11.11 C -ATOM 2348 CG2 ILE A 143 26.347 51.820 -17.057 1.00 6.00 C -ATOM 2349 CD1 ILE A 143 28.858 53.219 -18.070 1.00 9.93 C -ATOM 2350 N ALA A 144 27.199 48.677 -15.211 1.00 16.00 N -ATOM 2351 CA ALA A 144 26.341 47.473 -15.131 1.00 18.20 C -ATOM 2352 C ALA A 144 25.727 47.342 -13.740 1.00 17.06 C -ATOM 2353 O ALA A 144 24.539 47.038 -13.595 1.00 6.15 O -ATOM 2354 CB ALA A 144 27.159 46.196 -15.427 1.00 6.00 C -ATOM 2355 N GLN A 145 26.591 47.540 -12.736 1.00 23.10 N -ATOM 2356 CA GLN A 145 26.270 47.467 -11.307 1.00 18.67 C -ATOM 2357 C GLN A 145 25.226 48.538 -10.963 1.00 21.12 C -ATOM 2358 O GLN A 145 24.215 48.214 -10.337 1.00 28.84 O -ATOM 2359 CB GLN A 145 27.546 47.684 -10.501 1.00 21.31 C -ATOM 2360 CG GLN A 145 27.602 47.047 -9.123 1.00 33.02 C -ATOM 2361 CD GLN A 145 27.873 45.537 -9.172 1.00 45.71 C -ATOM 2362 OE1 GLN A 145 28.954 45.073 -9.599 1.00 34.24 O -ATOM 2363 NE2 GLN A 145 26.888 44.761 -8.726 1.00 43.32 N -ATOM 2364 N THR A 146 25.450 49.793 -11.370 1.00 14.14 N -ATOM 2365 CA THR A 146 24.469 50.865 -11.143 1.00 9.07 C -ATOM 2366 C THR A 146 23.115 50.371 -11.656 1.00 8.49 C -ATOM 2367 O THR A 146 22.087 50.515 -10.993 1.00 7.65 O -ATOM 2368 CB THR A 146 24.770 52.174 -11.927 1.00 8.96 C -ATOM 2369 OG1 THR A 146 26.026 52.756 -11.558 1.00 6.00 O -ATOM 2370 CG2 THR A 146 23.716 53.151 -11.619 1.00 16.60 C -ATOM 2371 N LEU A 147 23.125 49.787 -12.849 1.00 13.20 N -ATOM 2372 CA LEU A 147 21.901 49.257 -13.455 1.00 17.02 C -ATOM 2373 C LEU A 147 21.290 48.048 -12.687 1.00 15.91 C -ATOM 2374 O LEU A 147 20.046 47.900 -12.646 1.00 10.13 O -ATOM 2375 CB LEU A 147 22.231 48.902 -14.895 1.00 13.49 C -ATOM 2376 CG LEU A 147 21.718 49.766 -16.043 1.00 12.52 C -ATOM 2377 CD1 LEU A 147 21.682 51.205 -15.746 1.00 13.58 C -ATOM 2378 CD2 LEU A 147 22.642 49.481 -17.183 1.00 16.72 C -ATOM 2379 N LEU A 148 22.136 47.188 -12.108 1.00 13.52 N -ATOM 2380 CA LEU A 148 21.672 46.093 -11.237 1.00 12.77 C -ATOM 2381 C LEU A 148 20.957 46.716 -10.029 1.00 9.33 C -ATOM 2382 O LEU A 148 19.821 46.363 -9.705 1.00 20.82 O -ATOM 2383 CB LEU A 148 22.859 45.255 -10.757 1.00 11.31 C -ATOM 2384 CG LEU A 148 23.119 43.965 -11.554 1.00 16.51 C -ATOM 2385 CD1 LEU A 148 22.838 44.243 -13.038 1.00 18.44 C -ATOM 2386 CD2 LEU A 148 24.571 43.473 -11.311 1.00 6.00 C -ATOM 2387 N ASN A 149 21.613 47.675 -9.387 1.00 12.17 N -ATOM 2388 CA ASN A 149 21.030 48.421 -8.256 1.00 15.27 C -ATOM 2389 C ASN A 149 19.686 49.181 -8.610 1.00 15.38 C -ATOM 2390 O ASN A 149 18.649 48.909 -7.995 1.00 24.01 O -ATOM 2391 CB ASN A 149 22.006 49.486 -7.725 1.00 20.01 C -ATOM 2392 CG ASN A 149 23.327 48.925 -7.208 1.00 31.03 C -ATOM 2393 OD1 ASN A 149 23.435 47.759 -6.833 1.00 28.47 O -ATOM 2394 ND2 ASN A 149 24.351 49.781 -7.180 1.00 21.92 N -ATOM 2395 N LEU A 150 19.669 50.091 -9.597 1.00 14.50 N -ATOM 2396 CA LEU A 150 18.467 50.916 -9.836 1.00 16.03 C -ATOM 2397 C LEU A 150 17.331 50.046 -10.313 1.00 17.72 C -ATOM 2398 O LEU A 150 16.128 50.367 -10.134 1.00 14.96 O -ATOM 2399 CB LEU A 150 18.674 52.014 -10.919 1.00 13.33 C -ATOM 2400 CG LEU A 150 19.932 52.906 -10.985 1.00 21.26 C -ATOM 2401 CD1 LEU A 150 19.700 53.854 -12.196 1.00 9.10 C -ATOM 2402 CD2 LEU A 150 20.161 53.729 -9.728 1.00 22.84 C -ATOM 2403 N ALA A 151 17.713 48.954 -10.969 1.00 23.61 N -ATOM 2404 CA ALA A 151 16.698 48.047 -11.455 1.00 28.38 C -ATOM 2405 C ALA A 151 15.988 47.598 -10.199 1.00 26.24 C -ATOM 2406 O ALA A 151 14.784 47.459 -10.219 1.00 31.44 O -ATOM 2407 CB ALA A 151 17.352 46.835 -12.232 1.00 14.51 C -ATOM 2408 N LYS A 152 16.765 47.445 -9.116 1.00 30.18 N -ATOM 2409 CA LYS A 152 16.331 47.036 -7.767 1.00 30.07 C -ATOM 2410 C LYS A 152 15.688 48.124 -6.893 1.00 30.25 C -ATOM 2411 O LYS A 152 15.044 47.825 -5.885 1.00 27.85 O -ATOM 2412 CB LYS A 152 17.525 46.454 -6.989 1.00 24.86 C -ATOM 2413 CG LYS A 152 17.171 46.071 -5.542 1.00 44.06 C -ATOM 2414 CD LYS A 152 17.858 44.767 -5.062 1.00 51.19 C -ATOM 2415 CE LYS A 152 17.170 44.156 -3.808 1.00 43.95 C -ATOM 2416 NZ LYS A 152 17.643 42.742 -3.588 1.00 33.99 N -ATOM 2417 N GLN A 153 15.851 49.388 -7.228 1.00 31.71 N -ATOM 2418 CA GLN A 153 15.254 50.417 -6.382 1.00 32.74 C -ATOM 2419 C GLN A 153 13.736 50.301 -6.292 1.00 33.60 C -ATOM 2420 O GLN A 153 13.156 49.477 -6.977 1.00 30.37 O -ATOM 2421 CB GLN A 153 15.621 51.804 -6.912 1.00 35.66 C -ATOM 2422 CG GLN A 153 16.853 52.369 -6.243 1.00 31.76 C -ATOM 2423 CD GLN A 153 16.565 53.664 -5.498 1.00 24.89 C -ATOM 2424 OE1 GLN A 153 15.467 54.219 -5.549 1.00 26.83 O -ATOM 2425 NE2 GLN A 153 17.564 54.154 -4.810 1.00 28.09 N -ATOM 2426 N PRO A 154 13.095 51.092 -5.396 1.00 33.92 N -ATOM 2427 CA PRO A 154 11.671 51.387 -5.229 1.00 29.65 C -ATOM 2428 C PRO A 154 11.008 52.117 -6.387 1.00 29.84 C -ATOM 2429 O PRO A 154 9.803 52.012 -6.542 1.00 33.82 O -ATOM 2430 CB PRO A 154 11.627 52.170 -3.918 1.00 29.58 C -ATOM 2431 CG PRO A 154 12.696 51.506 -3.145 1.00 30.55 C -ATOM 2432 CD PRO A 154 13.790 51.602 -4.181 1.00 32.15 C -ATOM 2433 N ASP A 155 11.743 52.894 -7.172 1.00 36.54 N -ATOM 2434 CA ASP A 155 11.108 53.607 -8.278 1.00 39.41 C -ATOM 2435 C ASP A 155 11.312 52.905 -9.594 1.00 44.65 C -ATOM 2436 O ASP A 155 11.794 53.532 -10.532 1.00 55.00 O -ATOM 2437 CB ASP A 155 11.651 55.057 -8.394 1.00 35.23 C -ATOM 2438 CG ASP A 155 13.199 55.157 -8.440 1.00 45.04 C -ATOM 2439 OD1 ASP A 155 13.799 55.325 -9.534 1.00 49.19 O -ATOM 2440 OD2 ASP A 155 13.836 55.108 -7.363 1.00 54.84 O -ATOM 2441 N ALA A 156 10.932 51.633 -9.698 1.00 41.20 N -ATOM 2442 CA ALA A 156 11.144 50.906 -10.952 1.00 33.19 C -ATOM 2443 C ALA A 156 9.897 50.144 -11.417 1.00 36.82 C -ATOM 2444 O ALA A 156 9.431 49.203 -10.750 1.00 32.92 O -ATOM 2445 CB ALA A 156 12.297 49.952 -10.765 1.00 33.34 C -ATOM 2446 N MET A 157 9.358 50.572 -12.569 1.00 41.66 N -ATOM 2447 CA MET A 157 8.133 50.009 -13.170 1.00 40.32 C -ATOM 2448 C MET A 157 8.401 48.578 -13.624 1.00 39.27 C -ATOM 2449 O MET A 157 9.527 48.197 -13.989 1.00 32.56 O -ATOM 2450 CB MET A 157 7.686 50.841 -14.392 1.00 42.76 C -ATOM 2451 CG MET A 157 7.654 52.369 -14.203 1.00 49.14 C -ATOM 2452 SD MET A 157 9.253 53.227 -13.703 1.00 55.00 S -ATOM 2453 CE MET A 157 10.081 53.570 -15.281 1.00 48.56 C -ATOM 2454 N THR A 158 7.368 47.763 -13.602 1.00 39.62 N -ATOM 2455 CA THR A 158 7.580 46.393 -14.006 1.00 39.36 C -ATOM 2456 C THR A 158 7.528 46.378 -15.523 1.00 40.49 C -ATOM 2457 O THR A 158 6.862 47.235 -16.122 1.00 36.16 O -ATOM 2458 CB THR A 158 6.476 45.490 -13.373 1.00 44.49 C -ATOM 2459 OG1 THR A 158 6.953 44.144 -13.317 1.00 51.36 O -ATOM 2460 CG2 THR A 158 5.173 45.534 -14.194 1.00 41.81 C -ATOM 2461 N HIS A 159 8.253 45.437 -16.127 1.00 42.96 N -ATOM 2462 CA HIS A 159 8.304 45.249 -17.589 1.00 48.59 C -ATOM 2463 C HIS A 159 8.278 43.738 -17.818 1.00 49.13 C -ATOM 2464 O HIS A 159 8.929 43.018 -17.059 1.00 50.14 O -ATOM 2465 CB HIS A 159 9.610 45.841 -18.175 1.00 46.54 C -ATOM 2466 CG HIS A 159 9.583 46.039 -19.665 1.00 46.42 C -ATOM 2467 ND1 HIS A 159 9.799 45.015 -20.563 1.00 46.94 N -ATOM 2468 CD2 HIS A 159 9.355 47.150 -20.409 1.00 48.30 C -ATOM 2469 CE1 HIS A 159 9.704 45.486 -21.797 1.00 46.22 C -ATOM 2470 NE2 HIS A 159 9.436 46.778 -21.731 1.00 43.60 N -ATOM 2471 N PRO A 160 7.556 43.235 -18.860 1.00 53.19 N -ATOM 2472 CA PRO A 160 7.371 41.790 -19.096 1.00 50.53 C -ATOM 2473 C PRO A 160 8.668 41.047 -18.814 1.00 51.69 C -ATOM 2474 O PRO A 160 8.765 40.152 -17.962 1.00 51.73 O -ATOM 2475 CB PRO A 160 6.896 41.746 -20.546 1.00 44.13 C -ATOM 2476 CG PRO A 160 7.443 43.047 -21.118 1.00 48.96 C -ATOM 2477 CD PRO A 160 6.998 43.964 -20.022 1.00 53.47 C -ATOM 2478 N ASP A 161 9.671 41.470 -19.554 1.00 48.49 N -ATOM 2479 CA ASP A 161 11.005 40.991 -19.361 1.00 45.43 C -ATOM 2480 C ASP A 161 11.787 42.201 -18.837 1.00 42.13 C -ATOM 2481 O ASP A 161 11.593 43.309 -19.356 1.00 48.74 O -ATOM 2482 CB ASP A 161 11.536 40.472 -20.705 1.00 48.50 C -ATOM 2483 CG ASP A 161 11.129 41.336 -21.885 1.00 48.94 C -ATOM 2484 OD1 ASP A 161 12.014 41.980 -22.472 1.00 42.36 O -ATOM 2485 OD2 ASP A 161 9.929 41.360 -22.224 1.00 41.52 O -ATOM 2486 N GLY A 162 12.581 41.987 -17.778 1.00 32.44 N -ATOM 2487 CA GLY A 162 13.418 43.000 -17.144 1.00 21.40 C -ATOM 2488 C GLY A 162 12.679 44.103 -16.395 1.00 25.06 C -ATOM 2489 O GLY A 162 11.441 44.187 -16.350 1.00 15.57 O -ATOM 2490 N MET A 163 13.472 44.972 -15.776 1.00 31.59 N -ATOM 2491 CA MET A 163 12.937 46.121 -15.049 1.00 34.03 C -ATOM 2492 C MET A 163 13.191 47.389 -15.817 1.00 35.97 C -ATOM 2493 O MET A 163 14.298 47.638 -16.326 1.00 40.80 O -ATOM 2494 CB MET A 163 13.581 46.312 -13.682 1.00 36.34 C -ATOM 2495 CG MET A 163 12.606 46.170 -12.539 1.00 42.75 C -ATOM 2496 SD MET A 163 11.898 44.511 -12.485 1.00 44.85 S -ATOM 2497 CE MET A 163 10.341 44.723 -13.380 1.00 44.59 C -ATOM 2498 N GLN A 164 12.135 48.191 -15.877 1.00 32.34 N -ATOM 2499 CA GLN A 164 12.163 49.466 -16.548 1.00 30.00 C -ATOM 2500 C GLN A 164 12.568 50.514 -15.541 1.00 30.25 C -ATOM 2501 O GLN A 164 11.862 50.836 -14.598 1.00 27.76 O -ATOM 2502 CB GLN A 164 10.777 49.784 -17.144 1.00 26.97 C -ATOM 2503 CG GLN A 164 10.654 51.089 -17.914 1.00 24.46 C -ATOM 2504 CD GLN A 164 9.316 51.223 -18.661 1.00 26.88 C -ATOM 2505 OE1 GLN A 164 9.285 51.679 -19.789 1.00 36.11 O -ATOM 2506 NE2 GLN A 164 8.218 50.827 -18.035 1.00 26.58 N -ATOM 2507 N ILE A 165 13.817 50.891 -15.707 1.00 33.93 N -ATOM 2508 CA ILE A 165 14.460 51.984 -15.027 1.00 30.01 C -ATOM 2509 C ILE A 165 14.209 53.253 -15.814 1.00 26.17 C -ATOM 2510 O ILE A 165 14.069 53.159 -17.027 1.00 30.02 O -ATOM 2511 CB ILE A 165 16.008 51.637 -14.897 1.00 16.21 C -ATOM 2512 CG1 ILE A 165 16.215 50.655 -13.739 1.00 17.72 C -ATOM 2513 CG2 ILE A 165 16.807 52.840 -14.690 1.00 25.39 C -ATOM 2514 CD1 ILE A 165 14.924 50.331 -12.907 1.00 23.56 C -ATOM 2515 N LYS A 166 14.064 54.407 -15.200 1.00 25.27 N -ATOM 2516 CA LYS A 166 13.856 55.574 -16.030 1.00 25.89 C -ATOM 2517 C LYS A 166 14.990 56.446 -15.713 1.00 25.73 C -ATOM 2518 O LYS A 166 15.130 56.806 -14.551 1.00 26.84 O -ATOM 2519 CB LYS A 166 12.573 56.348 -15.697 1.00 34.33 C -ATOM 2520 CG LYS A 166 12.441 57.678 -16.513 1.00 43.24 C -ATOM 2521 CD LYS A 166 11.118 58.451 -16.277 1.00 52.65 C -ATOM 2522 CE LYS A 166 10.915 59.594 -17.296 1.00 55.00 C -ATOM 2523 NZ LYS A 166 9.512 60.135 -17.322 1.00 51.57 N -ATOM 2524 N ILE A 167 15.814 56.785 -16.694 1.00 20.18 N -ATOM 2525 CA ILE A 167 16.939 57.579 -16.312 1.00 18.34 C -ATOM 2526 C ILE A 167 17.691 58.175 -17.487 1.00 20.70 C -ATOM 2527 O ILE A 167 17.674 57.689 -18.616 1.00 17.89 O -ATOM 2528 CB ILE A 167 17.896 56.712 -15.454 1.00 14.35 C -ATOM 2529 CG1 ILE A 167 18.695 57.618 -14.517 1.00 16.17 C -ATOM 2530 CG2 ILE A 167 18.846 55.904 -16.370 1.00 22.46 C -ATOM 2531 CD1 ILE A 167 19.575 56.889 -13.562 1.00 13.78 C -ATOM 2532 N THR A 168 18.331 59.265 -17.107 1.00 18.13 N -ATOM 2533 CA THR A 168 19.185 60.155 -17.833 1.00 13.26 C -ATOM 2534 C THR A 168 20.614 59.707 -17.835 1.00 14.87 C -ATOM 2535 O THR A 168 21.246 59.703 -16.796 1.00 23.81 O -ATOM 2536 CB THR A 168 19.086 61.540 -17.203 1.00 23.16 C -ATOM 2537 OG1 THR A 168 17.949 62.214 -17.762 1.00 38.01 O -ATOM 2538 CG2 THR A 168 20.348 62.314 -17.392 1.00 20.68 C -ATOM 2539 N ARG A 169 21.141 59.389 -19.008 1.00 21.98 N -ATOM 2540 CA ARG A 169 22.540 59.005 -19.140 1.00 18.04 C -ATOM 2541 C ARG A 169 23.434 60.011 -18.443 1.00 16.36 C -ATOM 2542 O ARG A 169 24.587 59.706 -18.117 1.00 14.61 O -ATOM 2543 CB ARG A 169 23.004 58.962 -20.595 1.00 8.74 C -ATOM 2544 CG ARG A 169 22.433 57.919 -21.479 1.00 6.00 C -ATOM 2545 CD ARG A 169 22.715 58.307 -22.951 1.00 6.00 C -ATOM 2546 NE ARG A 169 21.892 57.468 -23.816 1.00 7.77 N -ATOM 2547 CZ ARG A 169 20.588 57.338 -23.642 1.00 6.00 C -ATOM 2548 NH1 ARG A 169 20.031 58.007 -22.661 1.00 6.00 N -ATOM 2549 NH2 ARG A 169 19.859 56.504 -24.385 1.00 6.00 N -ATOM 2550 N GLN A 170 22.950 61.232 -18.271 1.00 18.66 N -ATOM 2551 CA GLN A 170 23.787 62.216 -17.617 1.00 19.32 C -ATOM 2552 C GLN A 170 23.887 61.825 -16.170 1.00 16.04 C -ATOM 2553 O GLN A 170 24.968 61.869 -15.605 1.00 7.96 O -ATOM 2554 CB GLN A 170 23.174 63.605 -17.785 1.00 17.52 C -ATOM 2555 CG GLN A 170 24.185 64.624 -18.259 1.00 26.55 C -ATOM 2556 CD GLN A 170 23.535 65.750 -19.049 1.00 26.12 C -ATOM 2557 OE1 GLN A 170 24.015 66.129 -20.120 1.00 36.57 O -ATOM 2558 NE2 GLN A 170 22.432 66.280 -18.539 1.00 26.93 N -ATOM 2559 N GLU A 171 22.761 61.372 -15.622 1.00 7.44 N -ATOM 2560 CA GLU A 171 22.693 60.893 -14.221 1.00 18.12 C -ATOM 2561 C GLU A 171 23.642 59.718 -13.941 1.00 12.67 C -ATOM 2562 O GLU A 171 24.474 59.795 -13.012 1.00 13.40 O -ATOM 2563 CB GLU A 171 21.271 60.455 -13.865 1.00 20.27 C -ATOM 2564 CG GLU A 171 20.401 61.583 -13.325 1.00 23.57 C -ATOM 2565 CD GLU A 171 19.830 61.251 -11.946 1.00 26.74 C -ATOM 2566 OE1 GLU A 171 20.507 61.484 -10.910 1.00 13.87 O -ATOM 2567 OE2 GLU A 171 18.688 60.746 -11.920 1.00 18.20 O -ATOM 2568 N ILE A 172 23.545 58.663 -14.761 1.00 12.53 N -ATOM 2569 CA ILE A 172 24.439 57.511 -14.631 1.00 8.09 C -ATOM 2570 C ILE A 172 25.876 58.025 -14.643 1.00 6.83 C -ATOM 2571 O ILE A 172 26.688 57.567 -13.846 1.00 12.67 O -ATOM 2572 CB ILE A 172 24.195 56.509 -15.807 1.00 10.79 C -ATOM 2573 CG1 ILE A 172 22.734 56.026 -15.754 1.00 7.15 C -ATOM 2574 CG2 ILE A 172 25.138 55.344 -15.714 1.00 9.56 C -ATOM 2575 CD1 ILE A 172 22.290 55.160 -16.904 1.00 13.88 C -ATOM 2576 N GLY A 173 26.196 58.987 -15.510 1.00 6.00 N -ATOM 2577 CA GLY A 173 27.541 59.524 -15.515 1.00 10.97 C -ATOM 2578 C GLY A 173 27.888 60.109 -14.136 1.00 19.70 C -ATOM 2579 O GLY A 173 29.047 60.044 -13.711 1.00 32.24 O -ATOM 2580 N GLN A 174 26.907 60.666 -13.418 1.00 22.34 N -ATOM 2581 CA GLN A 174 27.147 61.287 -12.097 1.00 21.92 C -ATOM 2582 C GLN A 174 27.317 60.271 -10.966 1.00 15.93 C -ATOM 2583 O GLN A 174 28.267 60.352 -10.178 1.00 14.99 O -ATOM 2584 CB GLN A 174 25.989 62.236 -11.786 1.00 24.14 C -ATOM 2585 CG GLN A 174 26.065 63.553 -12.562 1.00 13.84 C -ATOM 2586 CD GLN A 174 24.789 64.325 -12.500 1.00 15.12 C -ATOM 2587 OE1 GLN A 174 24.589 65.205 -13.309 1.00 15.50 O -ATOM 2588 NE2 GLN A 174 23.899 63.993 -11.546 1.00 15.00 N -ATOM 2589 N ILE A 175 26.350 59.371 -10.883 1.00 6.00 N -ATOM 2590 CA ILE A 175 26.363 58.226 -10.007 1.00 7.48 C -ATOM 2591 C ILE A 175 27.693 57.493 -10.048 1.00 9.42 C -ATOM 2592 O ILE A 175 28.284 57.182 -9.018 1.00 12.89 O -ATOM 2593 CB ILE A 175 25.309 57.227 -10.428 1.00 6.00 C -ATOM 2594 CG1 ILE A 175 23.966 57.855 -10.167 1.00 6.00 C -ATOM 2595 CG2 ILE A 175 25.572 55.894 -9.797 1.00 6.00 C -ATOM 2596 CD1 ILE A 175 22.901 56.851 -10.203 1.00 6.00 C -ATOM 2597 N VAL A 176 28.158 57.244 -11.274 1.00 12.72 N -ATOM 2598 CA VAL A 176 29.333 56.405 -11.608 1.00 6.00 C -ATOM 2599 C VAL A 176 30.667 57.046 -11.707 1.00 7.40 C -ATOM 2600 O VAL A 176 31.679 56.356 -11.648 1.00 6.81 O -ATOM 2601 CB VAL A 176 29.042 55.674 -12.925 1.00 10.22 C -ATOM 2602 CG1 VAL A 176 30.227 55.831 -13.922 1.00 6.14 C -ATOM 2603 CG2 VAL A 176 28.682 54.230 -12.573 1.00 6.00 C -ATOM 2604 N GLY A 177 30.711 58.337 -11.921 1.00 8.35 N -ATOM 2605 CA GLY A 177 32.028 58.929 -12.011 1.00 11.15 C -ATOM 2606 C GLY A 177 32.599 58.900 -13.408 1.00 6.33 C -ATOM 2607 O GLY A 177 33.790 58.760 -13.603 1.00 7.01 O -ATOM 2608 N CYS A 178 31.772 59.020 -14.412 1.00 8.26 N -ATOM 2609 CA CYS A 178 32.358 59.093 -15.751 1.00 15.38 C -ATOM 2610 C CYS A 178 31.576 60.203 -16.464 1.00 12.90 C -ATOM 2611 O CYS A 178 30.608 60.673 -15.900 1.00 6.00 O -ATOM 2612 CB CYS A 178 32.236 57.715 -16.523 1.00 6.00 C -ATOM 2613 SG CYS A 178 30.650 56.957 -16.996 1.00 19.10 S -ATOM 2614 N SER A 179 32.003 60.628 -17.648 1.00 8.00 N -ATOM 2615 CA SER A 179 31.352 61.671 -18.396 1.00 6.00 C -ATOM 2616 C SER A 179 30.185 61.112 -19.151 1.00 6.60 C -ATOM 2617 O SER A 179 30.175 59.918 -19.426 1.00 17.73 O -ATOM 2618 CB SER A 179 32.303 62.264 -19.390 1.00 18.18 C -ATOM 2619 OG SER A 179 32.516 61.277 -20.386 1.00 23.24 O -ATOM 2620 N ARG A 180 29.269 61.998 -19.557 1.00 13.27 N -ATOM 2621 CA ARG A 180 28.047 61.669 -20.303 1.00 15.09 C -ATOM 2622 C ARG A 180 28.262 60.753 -21.518 1.00 19.25 C -ATOM 2623 O ARG A 180 27.488 59.826 -21.723 1.00 16.65 O -ATOM 2624 CB ARG A 180 27.356 62.934 -20.844 1.00 19.50 C -ATOM 2625 CG ARG A 180 25.945 62.634 -21.470 1.00 32.19 C -ATOM 2626 CD ARG A 180 25.124 63.771 -22.233 1.00 14.42 C -ATOM 2627 NE ARG A 180 25.696 64.147 -23.519 1.00 15.89 N -ATOM 2628 CZ ARG A 180 26.712 64.998 -23.669 1.00 21.82 C -ATOM 2629 NH1 ARG A 180 27.274 65.576 -22.605 1.00 21.19 N -ATOM 2630 NH2 ARG A 180 27.198 65.242 -24.891 1.00 11.64 N -ATOM 2631 N GLU A 181 29.302 61.006 -22.316 1.00 12.92 N -ATOM 2632 CA GLU A 181 29.468 60.245 -23.554 1.00 19.53 C -ATOM 2633 C GLU A 181 29.836 58.822 -23.324 1.00 20.20 C -ATOM 2634 O GLU A 181 29.337 57.940 -24.058 1.00 15.29 O -ATOM 2635 CB GLU A 181 30.547 60.829 -24.466 1.00 7.71 C -ATOM 2636 CG GLU A 181 30.299 62.225 -24.954 1.00 19.11 C -ATOM 2637 CD GLU A 181 30.716 63.312 -23.973 1.00 19.51 C -ATOM 2638 OE1 GLU A 181 31.178 63.065 -22.842 1.00 18.05 O -ATOM 2639 OE2 GLU A 181 30.564 64.468 -24.373 1.00 15.90 O -ATOM 2640 N THR A 182 30.745 58.608 -22.368 1.00 16.75 N -ATOM 2641 CA THR A 182 31.155 57.277 -22.011 1.00 11.14 C -ATOM 2642 C THR A 182 29.892 56.470 -21.708 1.00 6.71 C -ATOM 2643 O THR A 182 29.692 55.371 -22.213 1.00 17.80 O -ATOM 2644 CB THR A 182 32.061 57.319 -20.783 1.00 20.51 C -ATOM 2645 OG1 THR A 182 33.305 57.900 -21.163 1.00 16.04 O -ATOM 2646 CG2 THR A 182 32.362 55.907 -20.251 1.00 20.78 C -ATOM 2647 N VAL A 183 28.990 56.996 -20.908 1.00 8.47 N -ATOM 2648 CA VAL A 183 27.783 56.212 -20.644 1.00 8.53 C -ATOM 2649 C VAL A 183 27.047 55.836 -21.945 1.00 12.75 C -ATOM 2650 O VAL A 183 26.710 54.681 -22.146 1.00 24.82 O -ATOM 2651 CB VAL A 183 26.863 57.027 -19.717 1.00 16.54 C -ATOM 2652 CG1 VAL A 183 25.521 56.350 -19.529 1.00 9.01 C -ATOM 2653 CG2 VAL A 183 27.594 57.204 -18.384 1.00 12.77 C -ATOM 2654 N GLY A 184 26.854 56.800 -22.840 1.00 10.94 N -ATOM 2655 CA GLY A 184 26.093 56.595 -24.060 1.00 12.64 C -ATOM 2656 C GLY A 184 26.602 55.435 -24.863 1.00 15.65 C -ATOM 2657 O GLY A 184 25.821 54.604 -25.353 1.00 21.22 O -ATOM 2658 N ARG A 185 27.924 55.399 -24.981 1.00 18.79 N -ATOM 2659 CA ARG A 185 28.606 54.355 -25.706 1.00 20.58 C -ATOM 2660 C ARG A 185 28.425 53.024 -25.095 1.00 20.32 C -ATOM 2661 O ARG A 185 28.023 52.119 -25.791 1.00 24.49 O -ATOM 2662 CB ARG A 185 30.093 54.642 -25.786 1.00 26.61 C -ATOM 2663 CG ARG A 185 30.390 55.638 -26.883 1.00 30.04 C -ATOM 2664 CD ARG A 185 31.542 56.448 -26.507 1.00 31.45 C -ATOM 2665 NE ARG A 185 31.848 57.444 -27.510 1.00 36.34 N -ATOM 2666 CZ ARG A 185 32.635 58.474 -27.234 1.00 36.77 C -ATOM 2667 NH1 ARG A 185 32.902 59.354 -28.179 1.00 38.70 N -ATOM 2668 NH2 ARG A 185 33.123 58.633 -25.998 1.00 33.17 N -ATOM 2669 N ILE A 186 28.725 52.916 -23.800 1.00 15.33 N -ATOM 2670 CA ILE A 186 28.659 51.645 -23.090 1.00 10.88 C -ATOM 2671 C ILE A 186 27.267 51.119 -23.198 1.00 7.58 C -ATOM 2672 O ILE A 186 27.046 49.959 -23.476 1.00 11.08 O -ATOM 2673 CB ILE A 186 28.965 51.761 -21.573 1.00 16.96 C -ATOM 2674 CG1 ILE A 186 30.354 52.376 -21.298 1.00 14.97 C -ATOM 2675 CG2 ILE A 186 28.878 50.371 -20.991 1.00 14.06 C -ATOM 2676 CD1 ILE A 186 31.581 51.511 -21.684 1.00 25.24 C -ATOM 2677 N LEU A 187 26.318 52.007 -22.979 1.00 8.42 N -ATOM 2678 CA LEU A 187 24.919 51.654 -23.011 1.00 11.91 C -ATOM 2679 C LEU A 187 24.584 51.006 -24.336 1.00 16.01 C -ATOM 2680 O LEU A 187 23.778 50.071 -24.383 1.00 19.51 O -ATOM 2681 CB LEU A 187 24.068 52.916 -22.807 1.00 15.79 C -ATOM 2682 CG LEU A 187 23.109 53.002 -21.630 1.00 13.01 C -ATOM 2683 CD1 LEU A 187 23.912 53.154 -20.395 1.00 11.11 C -ATOM 2684 CD2 LEU A 187 22.138 54.159 -21.812 1.00 7.64 C -ATOM 2685 N LYS A 188 25.187 51.543 -25.409 1.00 30.17 N -ATOM 2686 CA LYS A 188 25.034 51.061 -26.791 1.00 34.60 C -ATOM 2687 C LYS A 188 25.583 49.621 -26.887 1.00 33.97 C -ATOM 2688 O LYS A 188 24.856 48.695 -27.266 1.00 34.67 O -ATOM 2689 CB LYS A 188 25.810 51.985 -27.730 1.00 37.75 C -ATOM 2690 CG LYS A 188 25.101 52.351 -29.020 1.00 48.70 C -ATOM 2691 CD LYS A 188 25.928 53.400 -29.790 1.00 55.00 C -ATOM 2692 CE LYS A 188 26.118 54.709 -28.991 1.00 52.68 C -ATOM 2693 NZ LYS A 188 26.995 55.698 -29.680 1.00 47.03 N -ATOM 2694 N MET A 189 26.856 49.456 -26.522 1.00 22.90 N -ATOM 2695 CA MET A 189 27.534 48.157 -26.483 1.00 22.26 C -ATOM 2696 C MET A 189 26.643 47.093 -25.810 1.00 25.82 C -ATOM 2697 O MET A 189 26.380 46.045 -26.406 1.00 31.82 O -ATOM 2698 CB MET A 189 28.843 48.326 -25.720 1.00 18.51 C -ATOM 2699 CG MET A 189 30.031 47.529 -26.237 1.00 21.59 C -ATOM 2700 SD MET A 189 31.599 48.175 -25.520 1.00 32.16 S -ATOM 2701 CE MET A 189 32.785 47.038 -26.205 1.00 27.39 C -ATOM 2702 N LEU A 190 26.143 47.379 -24.604 1.00 22.69 N -ATOM 2703 CA LEU A 190 25.262 46.472 -23.852 1.00 18.50 C -ATOM 2704 C LEU A 190 24.003 46.110 -24.597 1.00 19.01 C -ATOM 2705 O LEU A 190 23.480 45.016 -24.464 1.00 20.28 O -ATOM 2706 CB LEU A 190 24.901 47.119 -22.522 1.00 12.97 C -ATOM 2707 CG LEU A 190 26.079 47.008 -21.562 1.00 14.05 C -ATOM 2708 CD1 LEU A 190 26.399 48.283 -20.799 1.00 11.88 C -ATOM 2709 CD2 LEU A 190 25.707 45.862 -20.684 1.00 19.02 C -ATOM 2710 N GLU A 191 23.485 47.040 -25.369 1.00 27.73 N -ATOM 2711 CA GLU A 191 22.298 46.729 -26.135 1.00 30.40 C -ATOM 2712 C GLU A 191 22.707 45.788 -27.271 1.00 28.65 C -ATOM 2713 O GLU A 191 22.086 44.765 -27.474 1.00 33.58 O -ATOM 2714 CB GLU A 191 21.686 48.020 -26.691 1.00 25.77 C -ATOM 2715 CG GLU A 191 20.186 47.905 -26.960 1.00 19.87 C -ATOM 2716 CD GLU A 191 19.535 49.247 -27.251 1.00 28.45 C -ATOM 2717 OE1 GLU A 191 18.290 49.252 -27.321 1.00 28.93 O -ATOM 2718 OE2 GLU A 191 20.251 50.279 -27.403 1.00 32.26 O -ATOM 2719 N ASP A 192 23.761 46.117 -27.999 1.00 15.74 N -ATOM 2720 CA ASP A 192 24.233 45.236 -29.046 1.00 15.17 C -ATOM 2721 C ASP A 192 24.372 43.808 -28.520 1.00 21.74 C -ATOM 2722 O ASP A 192 24.078 42.866 -29.249 1.00 30.73 O -ATOM 2723 CB ASP A 192 25.594 45.687 -29.566 1.00 24.25 C -ATOM 2724 CG ASP A 192 25.538 47.034 -30.254 1.00 36.14 C -ATOM 2725 OD1 ASP A 192 24.445 47.423 -30.713 1.00 36.88 O -ATOM 2726 OD2 ASP A 192 26.593 47.706 -30.346 1.00 44.01 O -ATOM 2727 N GLN A 193 24.844 43.632 -27.280 1.00 19.56 N -ATOM 2728 CA GLN A 193 24.984 42.279 -26.712 1.00 10.28 C -ATOM 2729 C GLN A 193 23.640 41.714 -26.327 1.00 11.96 C -ATOM 2730 O GLN A 193 23.527 40.537 -26.021 1.00 16.64 O -ATOM 2731 CB GLN A 193 25.870 42.284 -25.476 1.00 9.30 C -ATOM 2732 CG GLN A 193 27.345 42.580 -25.736 1.00 10.66 C -ATOM 2733 CD GLN A 193 28.131 42.582 -24.419 1.00 24.50 C -ATOM 2734 OE1 GLN A 193 28.675 43.604 -24.022 1.00 30.40 O -ATOM 2735 NE2 GLN A 193 28.181 41.446 -23.739 1.00 25.74 N -ATOM 2736 N ASN A 194 22.641 42.582 -26.326 1.00 6.00 N -ATOM 2737 CA ASN A 194 21.233 42.279 -26.054 1.00 13.25 C -ATOM 2738 C ASN A 194 20.955 42.179 -24.560 1.00 18.36 C -ATOM 2739 O ASN A 194 20.029 41.482 -24.131 1.00 32.17 O -ATOM 2740 CB ASN A 194 20.818 40.954 -26.727 1.00 27.73 C -ATOM 2741 CG ASN A 194 21.199 40.871 -28.230 1.00 44.19 C -ATOM 2742 OD1 ASN A 194 20.868 41.744 -29.030 1.00 50.76 O -ATOM 2743 ND2 ASN A 194 21.889 39.786 -28.609 1.00 55.00 N -ATOM 2744 N LEU A 195 21.744 42.887 -23.755 1.00 13.17 N -ATOM 2745 CA LEU A 195 21.591 42.850 -22.302 1.00 14.94 C -ATOM 2746 C LEU A 195 20.598 43.877 -21.746 1.00 18.36 C -ATOM 2747 O LEU A 195 20.198 43.770 -20.601 1.00 14.45 O -ATOM 2748 CB LEU A 195 22.973 43.045 -21.640 1.00 11.28 C -ATOM 2749 CG LEU A 195 23.847 41.776 -21.746 1.00 9.83 C -ATOM 2750 CD1 LEU A 195 25.158 42.059 -21.127 1.00 6.00 C -ATOM 2751 CD2 LEU A 195 23.211 40.584 -21.027 1.00 7.24 C -ATOM 2752 N ILE A 196 20.193 44.862 -22.543 1.00 31.48 N -ATOM 2753 CA ILE A 196 19.250 45.918 -22.120 1.00 27.12 C -ATOM 2754 C ILE A 196 18.582 46.506 -23.365 1.00 26.51 C -ATOM 2755 O ILE A 196 18.933 46.125 -24.472 1.00 20.22 O -ATOM 2756 CB ILE A 196 19.975 47.111 -21.381 1.00 19.68 C -ATOM 2757 CG1 ILE A 196 20.829 47.921 -22.363 1.00 13.37 C -ATOM 2758 CG2 ILE A 196 20.928 46.580 -20.332 1.00 18.05 C -ATOM 2759 CD1 ILE A 196 21.673 49.028 -21.682 1.00 11.77 C -ATOM 2760 N SER A 197 17.603 47.382 -23.206 1.00 24.29 N -ATOM 2761 CA SER A 197 17.077 48.100 -24.354 1.00 20.89 C -ATOM 2762 C SER A 197 16.804 49.468 -23.793 1.00 24.85 C -ATOM 2763 O SER A 197 16.241 49.606 -22.705 1.00 23.41 O -ATOM 2764 CB SER A 197 15.795 47.473 -24.885 1.00 12.72 C -ATOM 2765 OG SER A 197 14.734 47.643 -23.993 1.00 16.09 O -ATOM 2766 N ALA A 198 17.239 50.475 -24.526 1.00 31.93 N -ATOM 2767 CA ALA A 198 17.156 51.854 -24.072 1.00 30.93 C -ATOM 2768 C ALA A 198 16.503 52.786 -25.069 1.00 29.93 C -ATOM 2769 O ALA A 198 16.359 52.447 -26.216 1.00 33.61 O -ATOM 2770 CB ALA A 198 18.545 52.337 -23.776 1.00 30.54 C -ATOM 2771 N HIS A 199 16.159 53.990 -24.624 1.00 38.11 N -ATOM 2772 CA HIS A 199 15.483 55.008 -25.451 1.00 36.12 C -ATOM 2773 C HIS A 199 14.906 56.079 -24.477 1.00 35.84 C -ATOM 2774 O HIS A 199 13.855 56.647 -24.726 1.00 34.63 O -ATOM 2775 CB HIS A 199 14.393 54.274 -26.239 1.00 38.64 C -ATOM 2776 CG HIS A 199 13.387 55.160 -26.881 1.00 50.54 C -ATOM 2777 ND1 HIS A 199 12.048 55.106 -26.558 1.00 47.44 N -ATOM 2778 CD2 HIS A 199 13.516 56.141 -27.809 1.00 50.46 C -ATOM 2779 CE1 HIS A 199 11.387 56.013 -27.252 1.00 50.90 C -ATOM 2780 NE2 HIS A 199 12.257 56.653 -28.018 1.00 53.55 N -ATOM 2781 N GLY A 200 15.633 56.361 -23.393 1.00 40.60 N -ATOM 2782 CA GLY A 200 15.180 57.237 -22.306 1.00 38.26 C -ATOM 2783 C GLY A 200 14.804 56.313 -21.127 1.00 39.05 C -ATOM 2784 O GLY A 200 15.325 56.376 -19.982 1.00 22.50 O -ATOM 2785 N LYS A 201 13.834 55.449 -21.403 1.00 40.63 N -ATOM 2786 CA LYS A 201 13.513 54.431 -20.435 1.00 39.59 C -ATOM 2787 C LYS A 201 14.408 53.265 -20.819 1.00 36.65 C -ATOM 2788 O LYS A 201 14.655 53.040 -21.996 1.00 41.86 O -ATOM 2789 CB LYS A 201 12.014 54.072 -20.514 1.00 37.87 C -ATOM 2790 CG LYS A 201 11.402 53.850 -21.875 1.00 38.90 C -ATOM 2791 CD LYS A 201 11.902 52.585 -22.569 1.00 43.23 C -ATOM 2792 CE LYS A 201 11.087 52.226 -23.844 1.00 44.23 C -ATOM 2793 NZ LYS A 201 11.620 50.970 -24.482 1.00 41.29 N -ATOM 2794 N THR A 202 14.944 52.558 -19.840 1.00 28.72 N -ATOM 2795 CA THR A 202 15.822 51.453 -20.150 1.00 19.94 C -ATOM 2796 C THR A 202 15.253 50.205 -19.575 1.00 18.34 C -ATOM 2797 O THR A 202 14.516 50.265 -18.598 1.00 18.19 O -ATOM 2798 CB THR A 202 17.185 51.635 -19.551 1.00 18.10 C -ATOM 2799 OG1 THR A 202 17.719 52.896 -19.955 1.00 22.06 O -ATOM 2800 CG2 THR A 202 18.123 50.582 -20.051 1.00 16.92 C -ATOM 2801 N ILE A 203 15.571 49.082 -20.193 1.00 12.33 N -ATOM 2802 CA ILE A 203 15.131 47.801 -19.689 1.00 17.49 C -ATOM 2803 C ILE A 203 16.394 47.051 -19.385 1.00 20.87 C -ATOM 2804 O ILE A 203 17.320 47.026 -20.205 1.00 25.38 O -ATOM 2805 CB ILE A 203 14.324 46.957 -20.731 1.00 30.93 C -ATOM 2806 CG1 ILE A 203 12.945 47.573 -20.950 1.00 29.56 C -ATOM 2807 CG2 ILE A 203 14.214 45.513 -20.253 1.00 29.31 C -ATOM 2808 CD1 ILE A 203 12.963 48.788 -21.845 1.00 39.12 C -ATOM 2809 N VAL A 204 16.475 46.493 -18.189 1.00 22.88 N -ATOM 2810 CA VAL A 204 17.632 45.693 -17.845 1.00 19.38 C -ATOM 2811 C VAL A 204 17.099 44.261 -18.011 1.00 24.35 C -ATOM 2812 O VAL A 204 15.936 43.974 -17.640 1.00 14.54 O -ATOM 2813 CB VAL A 204 18.048 45.966 -16.394 1.00 18.13 C -ATOM 2814 CG1 VAL A 204 19.384 45.296 -16.098 1.00 21.20 C -ATOM 2815 CG2 VAL A 204 18.130 47.463 -16.174 1.00 29.06 C -ATOM 2816 N VAL A 205 17.949 43.395 -18.564 1.00 26.57 N -ATOM 2817 CA VAL A 205 17.664 41.974 -18.886 1.00 29.35 C -ATOM 2818 C VAL A 205 17.006 41.936 -20.263 1.00 30.49 C -ATOM 2819 O VAL A 205 15.794 42.006 -20.424 1.00 24.27 O -ATOM 2820 CB VAL A 205 16.729 41.301 -17.811 1.00 27.54 C -ATOM 2821 CG1 VAL A 205 16.268 39.902 -18.225 1.00 28.28 C -ATOM 2822 CG2 VAL A 205 17.522 41.095 -16.563 1.00 34.11 C -ATOM 2823 N TYR A 206 17.893 41.873 -21.254 1.00 37.63 N -ATOM 2824 CA TYR A 206 17.576 41.828 -22.675 1.00 43.47 C -ATOM 2825 C TYR A 206 16.423 42.716 -23.135 1.00 48.68 C -ATOM 2826 O TYR A 206 15.748 43.405 -22.345 1.00 48.78 O -ATOM 2827 CB TYR A 206 17.299 40.342 -23.109 1.00 55.00 C -ATOM 2828 CG TYR A 206 15.950 39.653 -22.778 1.00 55.00 C -ATOM 2829 CD1 TYR A 206 15.838 38.702 -21.750 1.00 55.00 C -ATOM 2830 CD2 TYR A 206 14.797 39.941 -23.516 1.00 55.00 C -ATOM 2831 CE1 TYR A 206 14.603 38.048 -21.479 1.00 54.50 C -ATOM 2832 CE2 TYR A 206 13.568 39.302 -23.258 1.00 55.00 C -ATOM 2833 CZ TYR A 206 13.467 38.360 -22.242 1.00 55.00 C -ATOM 2834 OH TYR A 206 12.219 37.750 -22.026 1.00 55.00 O -ATOM 2835 N GLY A 207 16.218 42.703 -24.439 1.00 50.28 N -ATOM 2836 CA GLY A 207 15.171 43.510 -25.023 1.00 48.38 C -ATOM 2837 C GLY A 207 15.777 44.266 -26.180 1.00 48.90 C -ATOM 2838 O GLY A 207 15.061 45.093 -26.801 1.00 48.99 O -TER 2839 GLY A 207 -ATOM 2840 N PRO B 9 32.458 55.919 32.757 1.00 37.76 N -ATOM 2841 CA PRO B 9 31.061 56.308 33.040 1.00 42.32 C -ATOM 2842 C PRO B 9 30.110 55.175 32.674 1.00 42.87 C -ATOM 2843 O PRO B 9 29.905 54.235 33.456 1.00 39.62 O -ATOM 2844 CB PRO B 9 30.821 57.571 32.223 1.00 40.69 C -ATOM 2845 CG PRO B 9 31.619 57.247 30.946 1.00 41.95 C -ATOM 2846 CD PRO B 9 32.907 56.647 31.525 1.00 43.10 C -ATOM 2847 N THR B 10 29.529 55.270 31.484 1.00 43.95 N -ATOM 2848 CA THR B 10 28.632 54.234 30.999 1.00 40.86 C -ATOM 2849 C THR B 10 29.481 53.006 30.641 1.00 36.55 C -ATOM 2850 O THR B 10 29.137 51.878 30.967 1.00 34.19 O -ATOM 2851 CB THR B 10 27.857 54.711 29.715 1.00 40.48 C -ATOM 2852 OG1 THR B 10 27.258 55.990 29.938 1.00 35.33 O -ATOM 2853 CG2 THR B 10 26.755 53.755 29.376 1.00 34.81 C -ATOM 2854 N LEU B 11 30.621 53.270 30.002 1.00 33.11 N -ATOM 2855 CA LEU B 11 31.501 52.225 29.469 1.00 36.38 C -ATOM 2856 C LEU B 11 31.904 51.108 30.418 1.00 38.94 C -ATOM 2857 O LEU B 11 32.097 49.996 29.943 1.00 33.94 O -ATOM 2858 CB LEU B 11 32.805 52.824 28.912 1.00 27.13 C -ATOM 2859 CG LEU B 11 32.748 53.835 27.772 1.00 23.02 C -ATOM 2860 CD1 LEU B 11 34.161 53.918 27.222 1.00 27.23 C -ATOM 2861 CD2 LEU B 11 31.807 53.430 26.663 1.00 6.56 C -ATOM 2862 N GLU B 12 32.042 51.370 31.723 1.00 44.43 N -ATOM 2863 CA GLU B 12 32.478 50.310 32.626 1.00 40.52 C -ATOM 2864 C GLU B 12 31.400 49.304 32.887 1.00 33.49 C -ATOM 2865 O GLU B 12 31.705 48.116 32.899 1.00 36.19 O -ATOM 2866 CB GLU B 12 32.976 50.894 33.965 1.00 46.70 C -ATOM 2867 CG GLU B 12 34.478 51.375 33.932 1.00 47.64 C -ATOM 2868 CD GLU B 12 35.526 50.240 33.665 1.00 51.36 C -ATOM 2869 OE1 GLU B 12 35.124 49.076 33.400 1.00 52.48 O -ATOM 2870 OE2 GLU B 12 36.759 50.496 33.726 1.00 50.54 O -ATOM 2871 N TRP B 13 30.156 49.725 33.083 1.00 25.07 N -ATOM 2872 CA TRP B 13 29.129 48.710 33.260 1.00 27.05 C -ATOM 2873 C TRP B 13 29.084 47.877 31.964 1.00 31.78 C -ATOM 2874 O TRP B 13 28.862 46.654 31.996 1.00 37.55 O -ATOM 2875 CB TRP B 13 27.762 49.348 33.511 1.00 26.56 C -ATOM 2876 CG TRP B 13 26.905 49.489 32.315 1.00 29.30 C -ATOM 2877 CD1 TRP B 13 27.130 50.276 31.229 1.00 27.96 C -ATOM 2878 CD2 TRP B 13 25.660 48.824 32.077 1.00 30.19 C -ATOM 2879 NE1 TRP B 13 26.103 50.154 30.317 1.00 27.93 N -ATOM 2880 CE2 TRP B 13 25.183 49.269 30.810 1.00 39.66 C -ATOM 2881 CE3 TRP B 13 24.896 47.899 32.806 1.00 27.46 C -ATOM 2882 CZ2 TRP B 13 23.972 48.819 30.253 1.00 42.68 C -ATOM 2883 CZ3 TRP B 13 23.690 47.449 32.256 1.00 35.10 C -ATOM 2884 CH2 TRP B 13 23.243 47.913 30.988 1.00 43.87 C -ATOM 2885 N PHE B 14 29.297 48.558 30.826 1.00 38.54 N -ATOM 2886 CA PHE B 14 29.356 47.941 29.480 1.00 28.83 C -ATOM 2887 C PHE B 14 30.544 47.004 29.408 1.00 27.84 C -ATOM 2888 O PHE B 14 30.401 45.804 29.175 1.00 28.90 O -ATOM 2889 CB PHE B 14 29.518 49.032 28.378 1.00 30.58 C -ATOM 2890 CG PHE B 14 29.981 48.524 26.987 1.00 19.41 C -ATOM 2891 CD1 PHE B 14 29.073 48.013 26.063 1.00 17.79 C -ATOM 2892 CD2 PHE B 14 31.321 48.543 26.652 1.00 13.08 C -ATOM 2893 CE1 PHE B 14 29.489 47.537 24.866 1.00 14.72 C -ATOM 2894 CE2 PHE B 14 31.736 48.073 25.472 1.00 13.06 C -ATOM 2895 CZ PHE B 14 30.811 47.558 24.566 1.00 16.63 C -ATOM 2896 N LEU B 15 31.710 47.570 29.681 1.00 17.39 N -ATOM 2897 CA LEU B 15 32.948 46.865 29.526 1.00 22.60 C -ATOM 2898 C LEU B 15 33.068 45.781 30.536 1.00 24.82 C -ATOM 2899 O LEU B 15 34.022 45.025 30.483 1.00 33.60 O -ATOM 2900 CB LEU B 15 34.126 47.861 29.642 1.00 39.70 C -ATOM 2901 CG LEU B 15 35.397 47.719 28.729 1.00 53.90 C -ATOM 2902 CD1 LEU B 15 36.286 48.993 28.907 1.00 50.82 C -ATOM 2903 CD2 LEU B 15 36.197 46.417 29.087 1.00 54.49 C -ATOM 2904 N SER B 16 32.118 45.699 31.465 1.00 37.79 N -ATOM 2905 CA SER B 16 32.175 44.635 32.463 1.00 39.52 C -ATOM 2906 C SER B 16 31.641 43.343 31.842 1.00 37.51 C -ATOM 2907 O SER B 16 32.288 42.302 31.899 1.00 39.32 O -ATOM 2908 CB SER B 16 31.343 45.027 33.740 1.00 41.54 C -ATOM 2909 OG SER B 16 29.903 45.029 33.661 1.00 27.56 O -ATOM 2910 N HIS B 17 30.493 43.437 31.192 1.00 34.03 N -ATOM 2911 CA HIS B 17 29.834 42.292 30.577 1.00 34.83 C -ATOM 2912 C HIS B 17 30.555 41.664 29.381 1.00 35.60 C -ATOM 2913 O HIS B 17 30.018 40.742 28.757 1.00 36.69 O -ATOM 2914 CB HIS B 17 28.434 42.704 30.129 1.00 37.55 C -ATOM 2915 CG HIS B 17 27.521 43.070 31.257 1.00 47.45 C -ATOM 2916 ND1 HIS B 17 27.926 43.843 32.328 1.00 41.72 N -ATOM 2917 CD2 HIS B 17 26.220 42.758 31.484 1.00 47.41 C -ATOM 2918 CE1 HIS B 17 26.913 43.988 33.165 1.00 44.66 C -ATOM 2919 NE2 HIS B 17 25.867 43.340 32.677 1.00 36.89 N -ATOM 2920 N CYS B 18 31.743 42.135 29.029 1.00 35.27 N -ATOM 2921 CA CYS B 18 32.412 41.573 27.848 1.00 41.77 C -ATOM 2922 C CYS B 18 33.527 40.563 28.133 1.00 36.56 C -ATOM 2923 O CYS B 18 34.124 40.568 29.207 1.00 37.26 O -ATOM 2924 CB CYS B 18 33.034 42.693 26.979 1.00 49.42 C -ATOM 2925 SG CYS B 18 31.923 43.822 26.055 1.00 41.66 S -ATOM 2926 N HIS B 19 33.803 39.694 27.162 1.00 25.23 N -ATOM 2927 CA HIS B 19 34.932 38.799 27.287 1.00 22.22 C -ATOM 2928 C HIS B 19 36.066 39.503 26.587 1.00 21.14 C -ATOM 2929 O HIS B 19 35.923 39.970 25.462 1.00 34.45 O -ATOM 2930 CB HIS B 19 34.524 37.484 26.671 1.00 16.66 C -ATOM 2931 CG HIS B 19 33.458 36.834 27.491 1.00 31.62 C -ATOM 2932 ND1 HIS B 19 32.145 37.253 27.463 1.00 34.38 N -ATOM 2933 CD2 HIS B 19 33.520 35.863 28.430 1.00 27.12 C -ATOM 2934 CE1 HIS B 19 31.444 36.573 28.356 1.00 27.90 C -ATOM 2935 NE2 HIS B 19 32.255 35.726 28.954 1.00 23.94 N -ATOM 2936 N ILE B 20 37.188 39.622 27.257 1.00 13.35 N -ATOM 2937 CA ILE B 20 38.245 40.424 26.695 1.00 10.09 C -ATOM 2938 C ILE B 20 39.350 39.611 26.046 1.00 15.22 C -ATOM 2939 O ILE B 20 39.764 38.631 26.663 1.00 20.27 O -ATOM 2940 CB ILE B 20 38.849 41.299 27.802 1.00 14.23 C -ATOM 2941 CG1 ILE B 20 37.699 41.896 28.659 1.00 16.48 C -ATOM 2942 CG2 ILE B 20 39.787 42.345 27.166 1.00 12.88 C -ATOM 2943 CD1 ILE B 20 36.555 42.638 27.965 1.00 16.05 C -ATOM 2944 N HIS B 21 39.869 40.024 24.862 1.00 14.39 N -ATOM 2945 CA HIS B 21 40.975 39.276 24.215 1.00 9.36 C -ATOM 2946 C HIS B 21 42.106 40.157 23.700 1.00 10.34 C -ATOM 2947 O HIS B 21 41.943 41.314 23.339 1.00 15.95 O -ATOM 2948 CB HIS B 21 40.477 38.436 23.008 1.00 22.76 C -ATOM 2949 CG HIS B 21 39.189 37.702 23.244 1.00 26.39 C -ATOM 2950 ND1 HIS B 21 37.955 38.266 22.981 1.00 33.20 N -ATOM 2951 CD2 HIS B 21 38.940 36.453 23.705 1.00 34.96 C -ATOM 2952 CE1 HIS B 21 37.003 37.395 23.264 1.00 32.45 C -ATOM 2953 NE2 HIS B 21 37.573 36.287 23.706 1.00 35.08 N -ATOM 2954 N LYS B 22 43.274 39.567 23.662 1.00 6.00 N -ATOM 2955 CA LYS B 22 44.432 40.253 23.210 1.00 14.86 C -ATOM 2956 C LYS B 22 44.866 39.660 21.838 1.00 22.98 C -ATOM 2957 O LYS B 22 45.241 38.490 21.754 1.00 38.29 O -ATOM 2958 CB LYS B 22 45.559 40.098 24.248 1.00 21.82 C -ATOM 2959 CG LYS B 22 45.213 40.498 25.686 1.00 34.06 C -ATOM 2960 CD LYS B 22 46.432 40.936 26.557 1.00 36.98 C -ATOM 2961 CE LYS B 22 47.552 39.891 26.815 1.00 43.07 C -ATOM 2962 NZ LYS B 22 48.615 39.675 25.751 1.00 44.52 N -ATOM 2963 N TYR B 23 44.788 40.435 20.760 1.00 18.00 N -ATOM 2964 CA TYR B 23 45.190 39.969 19.449 1.00 14.94 C -ATOM 2965 C TYR B 23 46.593 40.414 19.156 1.00 14.27 C -ATOM 2966 O TYR B 23 46.896 41.585 19.308 1.00 19.55 O -ATOM 2967 CB TYR B 23 44.263 40.534 18.400 1.00 21.04 C -ATOM 2968 CG TYR B 23 42.893 39.944 18.419 1.00 16.74 C -ATOM 2969 CD1 TYR B 23 42.608 38.779 17.694 1.00 21.43 C -ATOM 2970 CD2 TYR B 23 41.878 40.534 19.128 1.00 18.40 C -ATOM 2971 CE1 TYR B 23 41.326 38.222 17.683 1.00 14.61 C -ATOM 2972 CE2 TYR B 23 40.593 39.977 19.118 1.00 18.09 C -ATOM 2973 CZ TYR B 23 40.344 38.828 18.390 1.00 6.00 C -ATOM 2974 OH TYR B 23 39.087 38.327 18.342 1.00 14.48 O -ATOM 2975 N PRO B 24 47.478 39.502 18.755 1.00 6.77 N -ATOM 2976 CA PRO B 24 48.831 39.891 18.326 1.00 8.53 C -ATOM 2977 C PRO B 24 48.743 40.735 17.073 1.00 11.19 C -ATOM 2978 O PRO B 24 47.733 40.685 16.377 1.00 9.24 O -ATOM 2979 CB PRO B 24 49.538 38.553 18.130 1.00 6.00 C -ATOM 2980 CG PRO B 24 48.407 37.704 17.602 1.00 9.82 C -ATOM 2981 CD PRO B 24 47.328 38.035 18.651 1.00 8.28 C -ATOM 2982 N SER B 25 49.771 41.501 16.770 1.00 13.72 N -ATOM 2983 CA SER B 25 49.722 42.307 15.561 1.00 21.63 C -ATOM 2984 C SER B 25 49.718 41.439 14.294 1.00 17.59 C -ATOM 2985 O SER B 25 50.435 40.447 14.196 1.00 23.55 O -ATOM 2986 CB SER B 25 50.914 43.246 15.524 1.00 19.72 C -ATOM 2987 OG SER B 25 52.113 42.521 15.645 1.00 31.54 O -ATOM 2988 N LYS B 26 48.887 41.871 13.352 1.00 19.23 N -ATOM 2989 CA LYS B 26 48.616 41.300 12.024 1.00 20.75 C -ATOM 2990 C LYS B 26 47.551 40.231 12.078 1.00 16.14 C -ATOM 2991 O LYS B 26 47.210 39.642 11.055 1.00 18.18 O -ATOM 2992 CB LYS B 26 49.895 40.709 11.407 1.00 25.50 C -ATOM 2993 CG LYS B 26 49.710 39.829 10.156 1.00 40.29 C -ATOM 2994 CD LYS B 26 49.004 40.462 8.917 1.00 34.06 C -ATOM 2995 CE LYS B 26 49.688 41.738 8.396 1.00 33.90 C -ATOM 2996 NZ LYS B 26 51.180 41.653 8.255 1.00 31.77 N -ATOM 2997 N SER B 27 46.969 39.987 13.248 1.00 17.89 N -ATOM 2998 CA SER B 27 45.950 38.946 13.231 1.00 16.83 C -ATOM 2999 C SER B 27 44.657 39.424 12.561 1.00 19.61 C -ATOM 3000 O SER B 27 44.398 40.603 12.302 1.00 9.87 O -ATOM 3001 CB SER B 27 45.651 38.421 14.676 1.00 15.62 C -ATOM 3002 OG SER B 27 45.285 39.360 15.681 1.00 13.75 O -ATOM 3003 N THR B 28 43.825 38.462 12.260 1.00 21.25 N -ATOM 3004 CA THR B 28 42.620 38.758 11.555 1.00 20.93 C -ATOM 3005 C THR B 28 41.431 38.665 12.505 1.00 25.98 C -ATOM 3006 O THR B 28 40.951 37.562 12.795 1.00 31.52 O -ATOM 3007 CB THR B 28 42.567 37.767 10.385 1.00 15.71 C -ATOM 3008 OG1 THR B 28 43.717 37.982 9.540 1.00 13.94 O -ATOM 3009 CG2 THR B 28 41.322 37.932 9.610 1.00 9.93 C -ATOM 3010 N LEU B 29 40.975 39.817 13.011 1.00 18.06 N -ATOM 3011 CA LEU B 29 39.830 39.864 13.918 1.00 9.45 C -ATOM 3012 C LEU B 29 38.568 39.478 13.247 1.00 6.00 C -ATOM 3013 O LEU B 29 37.780 38.767 13.826 1.00 7.91 O -ATOM 3014 CB LEU B 29 39.578 41.250 14.484 1.00 10.97 C -ATOM 3015 CG LEU B 29 40.511 42.023 15.422 1.00 22.39 C -ATOM 3016 CD1 LEU B 29 39.795 42.264 16.788 1.00 13.40 C -ATOM 3017 CD2 LEU B 29 41.848 41.277 15.479 1.00 6.00 C -ATOM 3018 N ILE B 30 38.361 39.981 12.031 1.00 8.21 N -ATOM 3019 CA ILE B 30 37.118 39.760 11.280 1.00 6.64 C -ATOM 3020 C ILE B 30 37.375 39.366 9.802 1.00 14.50 C -ATOM 3021 O ILE B 30 38.346 39.835 9.198 1.00 8.89 O -ATOM 3022 CB ILE B 30 36.272 41.042 11.312 1.00 12.51 C -ATOM 3023 CG1 ILE B 30 35.933 41.408 12.752 1.00 12.57 C -ATOM 3024 CG2 ILE B 30 35.016 40.842 10.538 1.00 10.78 C -ATOM 3025 CD1 ILE B 30 34.920 42.511 12.843 1.00 6.00 C -ATOM 3026 N HIS B 31 36.509 38.514 9.235 1.00 7.83 N -ATOM 3027 CA HIS B 31 36.632 38.072 7.842 1.00 14.58 C -ATOM 3028 C HIS B 31 35.425 38.523 7.030 1.00 17.66 C -ATOM 3029 O HIS B 31 34.288 38.497 7.512 1.00 24.15 O -ATOM 3030 CB HIS B 31 36.697 36.523 7.700 1.00 31.78 C -ATOM 3031 CG HIS B 31 38.009 35.895 8.074 1.00 37.88 C -ATOM 3032 ND1 HIS B 31 38.341 35.561 9.372 1.00 39.86 N -ATOM 3033 CD2 HIS B 31 39.070 35.531 7.310 1.00 46.34 C -ATOM 3034 CE1 HIS B 31 39.549 35.021 9.390 1.00 41.14 C -ATOM 3035 NE2 HIS B 31 40.015 34.991 8.154 1.00 37.98 N -ATOM 3036 N GLN B 32 35.636 38.909 5.781 1.00 23.12 N -ATOM 3037 CA GLN B 32 34.471 39.302 5.006 1.00 27.47 C -ATOM 3038 C GLN B 32 33.542 38.136 4.834 1.00 27.10 C -ATOM 3039 O GLN B 32 34.002 37.025 4.604 1.00 38.08 O -ATOM 3040 CB GLN B 32 34.827 39.783 3.605 1.00 32.49 C -ATOM 3041 CG GLN B 32 35.245 41.228 3.504 1.00 39.62 C -ATOM 3042 CD GLN B 32 34.943 41.821 2.134 1.00 38.88 C -ATOM 3043 OE1 GLN B 32 33.786 41.847 1.705 1.00 35.87 O -ATOM 3044 NE2 GLN B 32 35.977 42.309 1.445 1.00 43.99 N -ATOM 3045 N GLY B 33 32.251 38.383 4.985 1.00 19.84 N -ATOM 3046 CA GLY B 33 31.256 37.359 4.727 1.00 14.69 C -ATOM 3047 C GLY B 33 30.890 36.465 5.891 1.00 18.41 C -ATOM 3048 O GLY B 33 29.826 35.823 5.820 1.00 21.70 O -ATOM 3049 N GLU B 34 31.728 36.395 6.927 1.00 11.40 N -ATOM 3050 CA GLU B 34 31.463 35.538 8.085 1.00 11.02 C -ATOM 3051 C GLU B 34 30.179 36.038 8.678 1.00 11.20 C -ATOM 3052 O GLU B 34 29.910 37.206 8.539 1.00 24.91 O -ATOM 3053 CB GLU B 34 32.698 35.651 9.006 1.00 20.14 C -ATOM 3054 CG GLU B 34 32.679 35.007 10.403 1.00 37.34 C -ATOM 3055 CD GLU B 34 32.150 35.977 11.461 1.00 41.39 C -ATOM 3056 OE1 GLU B 34 30.928 35.972 11.661 1.00 36.54 O -ATOM 3057 OE2 GLU B 34 32.944 36.754 12.073 1.00 37.97 O -ATOM 3058 N LYS B 35 29.359 35.184 9.294 1.00 29.11 N -ATOM 3059 CA LYS B 35 28.042 35.638 9.800 1.00 34.78 C -ATOM 3060 C LYS B 35 28.166 36.400 11.121 1.00 35.60 C -ATOM 3061 O LYS B 35 28.685 35.915 12.129 1.00 29.45 O -ATOM 3062 CB LYS B 35 27.069 34.423 9.962 1.00 33.41 C -ATOM 3063 CG LYS B 35 27.248 33.480 11.157 1.00 26.13 C -ATOM 3064 CD LYS B 35 28.690 32.949 11.277 1.00 41.93 C -ATOM 3065 CE LYS B 35 29.021 31.600 10.585 1.00 46.62 C -ATOM 3066 NZ LYS B 35 28.726 30.406 11.477 1.00 44.71 N -ATOM 3067 N ALA B 36 27.643 37.619 11.074 1.00 37.64 N -ATOM 3068 CA ALA B 36 27.747 38.576 12.148 1.00 33.60 C -ATOM 3069 C ALA B 36 26.949 38.271 13.383 1.00 29.25 C -ATOM 3070 O ALA B 36 25.741 38.420 13.363 1.00 26.96 O -ATOM 3071 CB ALA B 36 27.347 39.900 11.624 1.00 27.74 C -ATOM 3072 N GLU B 37 27.636 37.904 14.467 1.00 37.26 N -ATOM 3073 CA GLU B 37 26.992 37.622 15.753 1.00 37.40 C -ATOM 3074 C GLU B 37 27.598 38.398 16.951 1.00 35.41 C -ATOM 3075 O GLU B 37 26.900 38.592 17.954 1.00 34.05 O -ATOM 3076 CB GLU B 37 27.069 36.124 16.067 1.00 34.07 C -ATOM 3077 CG GLU B 37 25.950 35.680 16.987 1.00 44.03 C -ATOM 3078 CD GLU B 37 24.600 35.877 16.308 1.00 50.13 C -ATOM 3079 OE1 GLU B 37 24.542 35.590 15.087 1.00 53.63 O -ATOM 3080 OE2 GLU B 37 23.613 36.313 16.957 1.00 45.09 O -ATOM 3081 N THR B 38 28.856 38.842 16.861 1.00 27.87 N -ATOM 3082 CA THR B 38 29.537 39.546 17.968 1.00 26.76 C -ATOM 3083 C THR B 38 29.883 41.022 17.769 1.00 25.94 C -ATOM 3084 O THR B 38 30.399 41.380 16.714 1.00 25.29 O -ATOM 3085 CB THR B 38 30.837 38.899 18.285 1.00 29.73 C -ATOM 3086 OG1 THR B 38 31.516 38.660 17.043 1.00 36.73 O -ATOM 3087 CG2 THR B 38 30.638 37.596 19.036 1.00 46.43 C -ATOM 3088 N LEU B 39 29.636 41.875 18.766 1.00 20.30 N -ATOM 3089 CA LEU B 39 30.067 43.285 18.663 1.00 19.19 C -ATOM 3090 C LEU B 39 31.437 43.296 19.303 1.00 19.01 C -ATOM 3091 O LEU B 39 31.714 42.361 20.046 1.00 30.91 O -ATOM 3092 CB LEU B 39 29.139 44.271 19.445 1.00 18.04 C -ATOM 3093 CG LEU B 39 29.412 45.805 19.280 1.00 29.51 C -ATOM 3094 CD1 LEU B 39 29.040 46.325 17.857 1.00 18.65 C -ATOM 3095 CD2 LEU B 39 28.502 46.573 20.236 1.00 24.87 C -ATOM 3096 N TYR B 40 32.296 44.277 19.021 1.00 13.99 N -ATOM 3097 CA TYR B 40 33.615 44.346 19.666 1.00 12.21 C -ATOM 3098 C TYR B 40 33.865 45.747 20.132 1.00 18.07 C -ATOM 3099 O TYR B 40 33.082 46.648 19.864 1.00 23.15 O -ATOM 3100 CB TYR B 40 34.808 44.036 18.761 1.00 12.84 C -ATOM 3101 CG TYR B 40 34.866 42.655 18.160 1.00 25.14 C -ATOM 3102 CD1 TYR B 40 33.798 42.141 17.429 1.00 23.50 C -ATOM 3103 CD2 TYR B 40 36.007 41.873 18.281 1.00 21.33 C -ATOM 3104 CE1 TYR B 40 33.876 40.888 16.835 1.00 27.68 C -ATOM 3105 CE2 TYR B 40 36.095 40.638 17.696 1.00 17.24 C -ATOM 3106 CZ TYR B 40 35.035 40.148 16.974 1.00 25.99 C -ATOM 3107 OH TYR B 40 35.131 38.920 16.360 1.00 37.56 O -ATOM 3108 N TYR B 41 34.989 45.912 20.810 1.00 17.64 N -ATOM 3109 CA TYR B 41 35.390 47.188 21.323 1.00 18.09 C -ATOM 3110 C TYR B 41 36.905 47.137 21.464 1.00 19.55 C -ATOM 3111 O TYR B 41 37.493 46.182 21.980 1.00 20.17 O -ATOM 3112 CB TYR B 41 34.744 47.478 22.709 1.00 16.69 C -ATOM 3113 CG TYR B 41 34.989 48.923 23.223 1.00 21.47 C -ATOM 3114 CD1 TYR B 41 36.216 49.298 23.795 1.00 24.01 C -ATOM 3115 CD2 TYR B 41 34.019 49.924 23.067 1.00 24.72 C -ATOM 3116 CE1 TYR B 41 36.472 50.630 24.190 1.00 28.20 C -ATOM 3117 CE2 TYR B 41 34.257 51.251 23.454 1.00 18.88 C -ATOM 3118 CZ TYR B 41 35.489 51.603 24.008 1.00 26.14 C -ATOM 3119 OH TYR B 41 35.754 52.921 24.322 1.00 18.15 O -ATOM 3120 N ILE B 42 37.535 48.178 20.951 1.00 24.33 N -ATOM 3121 CA ILE B 42 38.950 48.292 21.024 1.00 15.99 C -ATOM 3122 C ILE B 42 39.316 48.925 22.347 1.00 24.16 C -ATOM 3123 O ILE B 42 39.129 50.143 22.565 1.00 13.38 O -ATOM 3124 CB ILE B 42 39.462 49.144 19.929 1.00 6.00 C -ATOM 3125 CG1 ILE B 42 39.118 48.519 18.601 1.00 8.63 C -ATOM 3126 CG2 ILE B 42 40.947 49.253 20.044 1.00 9.34 C -ATOM 3127 CD1 ILE B 42 39.994 49.009 17.549 1.00 6.00 C -ATOM 3128 N VAL B 43 39.803 48.083 23.245 1.00 23.12 N -ATOM 3129 CA VAL B 43 40.201 48.557 24.536 1.00 24.99 C -ATOM 3130 C VAL B 43 41.634 49.036 24.471 1.00 26.85 C -ATOM 3131 O VAL B 43 42.006 49.966 25.172 1.00 28.87 O -ATOM 3132 CB VAL B 43 40.041 47.448 25.551 1.00 27.06 C -ATOM 3133 CG1 VAL B 43 40.319 47.980 26.911 1.00 38.37 C -ATOM 3134 CG2 VAL B 43 38.607 46.937 25.538 1.00 32.14 C -ATOM 3135 N LYS B 44 42.458 48.413 23.640 1.00 22.08 N -ATOM 3136 CA LYS B 44 43.837 48.902 23.472 1.00 21.38 C -ATOM 3137 C LYS B 44 44.265 48.727 22.008 1.00 27.33 C -ATOM 3138 O LYS B 44 43.808 47.789 21.329 1.00 23.27 O -ATOM 3139 CB LYS B 44 44.825 48.125 24.338 1.00 25.14 C -ATOM 3140 CG LYS B 44 46.302 48.428 23.980 1.00 26.68 C -ATOM 3141 CD LYS B 44 47.344 47.413 24.540 1.00 38.05 C -ATOM 3142 CE LYS B 44 48.782 47.559 23.908 1.00 28.90 C -ATOM 3143 NZ LYS B 44 48.791 47.436 22.399 1.00 32.56 N -ATOM 3144 N GLY B 45 45.093 49.643 21.511 1.00 27.69 N -ATOM 3145 CA GLY B 45 45.607 49.486 20.163 1.00 28.58 C -ATOM 3146 C GLY B 45 44.734 49.986 19.007 1.00 31.40 C -ATOM 3147 O GLY B 45 43.730 50.707 19.200 1.00 26.30 O -ATOM 3148 N SER B 46 45.123 49.522 17.808 1.00 25.84 N -ATOM 3149 CA SER B 46 44.548 49.916 16.525 1.00 23.41 C -ATOM 3150 C SER B 46 44.401 48.786 15.488 1.00 23.30 C -ATOM 3151 O SER B 46 45.203 47.852 15.370 1.00 15.38 O -ATOM 3152 CB SER B 46 45.411 50.998 15.954 1.00 25.29 C -ATOM 3153 OG SER B 46 46.747 50.559 16.103 1.00 30.58 O -ATOM 3154 N VAL B 47 43.436 48.972 14.617 1.00 23.91 N -ATOM 3155 CA VAL B 47 43.111 47.928 13.707 1.00 18.40 C -ATOM 3156 C VAL B 47 42.934 48.530 12.282 1.00 21.50 C -ATOM 3157 O VAL B 47 42.908 49.768 12.099 1.00 12.27 O -ATOM 3158 CB VAL B 47 41.877 47.332 14.356 1.00 12.57 C -ATOM 3159 CG1 VAL B 47 40.662 48.133 13.908 1.00 6.00 C -ATOM 3160 CG2 VAL B 47 41.812 45.873 14.090 1.00 11.73 C -ATOM 3161 N ALA B 48 42.815 47.689 11.254 1.00 19.58 N -ATOM 3162 CA ALA B 48 42.620 48.224 9.889 1.00 18.16 C -ATOM 3163 C ALA B 48 41.416 47.591 9.235 1.00 12.82 C -ATOM 3164 O ALA B 48 41.222 46.393 9.357 1.00 18.01 O -ATOM 3165 CB ALA B 48 43.837 47.953 9.035 1.00 18.92 C -ATOM 3166 N VAL B 49 40.584 48.406 8.594 1.00 12.15 N -ATOM 3167 CA VAL B 49 39.412 47.930 7.854 1.00 13.55 C -ATOM 3168 C VAL B 49 39.791 48.031 6.377 1.00 11.33 C -ATOM 3169 O VAL B 49 40.300 49.070 5.937 1.00 13.71 O -ATOM 3170 CB VAL B 49 38.162 48.806 8.098 1.00 6.00 C -ATOM 3171 CG1 VAL B 49 36.940 48.068 7.601 1.00 11.71 C -ATOM 3172 CG2 VAL B 49 37.996 49.093 9.569 1.00 6.00 C -ATOM 3173 N LEU B 50 39.586 46.948 5.636 1.00 10.77 N -ATOM 3174 CA LEU B 50 39.945 46.858 4.214 1.00 6.94 C -ATOM 3175 C LEU B 50 39.058 45.828 3.537 1.00 11.14 C -ATOM 3176 O LEU B 50 38.560 44.909 4.166 1.00 9.61 O -ATOM 3177 CB LEU B 50 41.453 46.480 4.074 1.00 6.19 C -ATOM 3178 CG LEU B 50 42.077 45.452 5.035 1.00 6.38 C -ATOM 3179 CD1 LEU B 50 41.565 44.092 4.679 1.00 12.15 C -ATOM 3180 CD2 LEU B 50 43.557 45.502 4.971 1.00 6.00 C -ATOM 3181 N ILE B 51 38.791 46.027 2.256 1.00 11.74 N -ATOM 3182 CA ILE B 51 37.966 45.095 1.516 1.00 7.46 C -ATOM 3183 C ILE B 51 38.721 44.506 0.358 1.00 12.57 C -ATOM 3184 O ILE B 51 39.834 44.945 0.050 1.00 11.22 O -ATOM 3185 CB ILE B 51 36.791 45.783 1.017 1.00 13.08 C -ATOM 3186 CG1 ILE B 51 37.187 46.733 -0.105 1.00 18.13 C -ATOM 3187 CG2 ILE B 51 36.134 46.418 2.205 1.00 6.59 C -ATOM 3188 CD1 ILE B 51 36.053 47.630 -0.512 1.00 15.17 C -ATOM 3189 N LYS B 52 38.078 43.546 -0.310 1.00 19.11 N -ATOM 3190 CA LYS B 52 38.785 42.744 -1.317 1.00 19.34 C -ATOM 3191 C LYS B 52 37.980 42.220 -2.478 1.00 21.18 C -ATOM 3192 O LYS B 52 36.924 41.604 -2.316 1.00 21.23 O -ATOM 3193 CB LYS B 52 39.454 41.535 -0.634 1.00 19.36 C -ATOM 3194 CG LYS B 52 40.643 41.901 0.251 1.00 25.77 C -ATOM 3195 CD LYS B 52 41.416 40.680 0.788 1.00 37.87 C -ATOM 3196 CE LYS B 52 42.042 39.749 -0.291 1.00 40.35 C -ATOM 3197 NZ LYS B 52 41.070 38.875 -1.051 1.00 39.02 N -ATOM 3198 N ASP B 53 38.570 42.455 -3.640 1.00 26.20 N -ATOM 3199 CA ASP B 53 38.104 42.053 -4.959 1.00 30.19 C -ATOM 3200 C ASP B 53 38.496 40.589 -5.179 1.00 30.81 C -ATOM 3201 O ASP B 53 39.640 40.220 -4.873 1.00 27.23 O -ATOM 3202 CB ASP B 53 38.762 42.942 -6.005 1.00 25.68 C -ATOM 3203 CG ASP B 53 38.228 42.693 -7.384 1.00 36.79 C -ATOM 3204 OD1 ASP B 53 37.026 42.975 -7.605 1.00 42.51 O -ATOM 3205 OD2 ASP B 53 39.002 42.230 -8.249 1.00 45.65 O -ATOM 3206 N GLU B 54 37.597 39.776 -5.756 1.00 33.39 N -ATOM 3207 CA GLU B 54 37.875 38.341 -5.909 1.00 27.12 C -ATOM 3208 C GLU B 54 39.200 38.062 -6.520 1.00 23.49 C -ATOM 3209 O GLU B 54 39.760 37.039 -6.234 1.00 28.23 O -ATOM 3210 CB GLU B 54 36.845 37.643 -6.755 1.00 16.71 C -ATOM 3211 CG GLU B 54 35.473 37.551 -6.065 1.00 29.08 C -ATOM 3212 CD GLU B 54 34.559 38.772 -6.287 1.00 32.03 C -ATOM 3213 OE1 GLU B 54 35.049 39.793 -6.812 1.00 41.53 O -ATOM 3214 OE2 GLU B 54 33.345 38.709 -5.948 1.00 40.23 O -ATOM 3215 N GLU B 55 39.717 38.944 -7.357 1.00 29.88 N -ATOM 3216 CA GLU B 55 41.053 38.716 -7.898 1.00 27.36 C -ATOM 3217 C GLU B 55 42.194 39.327 -6.987 1.00 33.84 C -ATOM 3218 O GLU B 55 43.204 39.895 -7.454 1.00 34.61 O -ATOM 3219 CB GLU B 55 41.048 39.272 -9.365 1.00 31.87 C -ATOM 3220 CG GLU B 55 40.299 38.286 -10.351 1.00 34.09 C -ATOM 3221 CD GLU B 55 40.226 38.613 -11.906 1.00 22.81 C -ATOM 3222 OE1 GLU B 55 39.095 38.553 -12.481 1.00 11.57 O -ATOM 3223 OE2 GLU B 55 41.263 38.889 -12.549 1.00 20.61 O -ATOM 3224 N GLY B 56 41.924 39.262 -5.670 1.00 34.34 N -ATOM 3225 CA GLY B 56 42.846 39.548 -4.563 1.00 34.74 C -ATOM 3226 C GLY B 56 43.178 41.041 -4.316 1.00 32.65 C -ATOM 3227 O GLY B 56 43.756 41.264 -3.217 1.00 32.52 O -ATOM 3228 N LYS B 57 42.911 42.066 -5.137 1.00 26.26 N -ATOM 3229 CA LYS B 57 43.391 43.403 -4.706 1.00 25.49 C -ATOM 3230 C LYS B 57 42.632 43.931 -3.493 1.00 27.11 C -ATOM 3231 O LYS B 57 41.417 43.775 -3.419 1.00 35.63 O -ATOM 3232 CB LYS B 57 43.238 44.455 -5.817 1.00 34.40 C -ATOM 3233 CG LYS B 57 44.010 45.775 -5.492 1.00 45.06 C -ATOM 3234 CD LYS B 57 43.682 46.962 -6.443 1.00 49.96 C -ATOM 3235 CE LYS B 57 44.602 48.204 -6.222 1.00 50.30 C -ATOM 3236 NZ LYS B 57 44.754 48.758 -4.816 1.00 53.01 N -ATOM 3237 N GLU B 58 43.325 44.588 -2.573 1.00 19.02 N -ATOM 3238 CA GLU B 58 42.678 45.111 -1.361 1.00 23.13 C -ATOM 3239 C GLU B 58 42.848 46.653 -1.155 1.00 21.01 C -ATOM 3240 O GLU B 58 43.859 47.242 -1.523 1.00 27.24 O -ATOM 3241 CB GLU B 58 43.229 44.336 -0.119 1.00 19.43 C -ATOM 3242 CG GLU B 58 44.756 44.184 -0.022 1.00 25.10 C -ATOM 3243 CD GLU B 58 45.286 43.756 1.376 1.00 39.64 C -ATOM 3244 OE1 GLU B 58 46.506 43.430 1.495 1.00 27.81 O -ATOM 3245 OE2 GLU B 58 44.501 43.765 2.363 1.00 37.17 O -ATOM 3246 N MET B 59 41.838 47.291 -0.570 1.00 17.17 N -ATOM 3247 CA MET B 59 41.868 48.719 -0.284 1.00 22.52 C -ATOM 3248 C MET B 59 41.525 49.025 1.176 1.00 19.46 C -ATOM 3249 O MET B 59 40.489 48.568 1.669 1.00 25.81 O -ATOM 3250 CB MET B 59 40.865 49.486 -1.148 1.00 18.54 C -ATOM 3251 CG MET B 59 40.577 50.888 -0.552 1.00 16.58 C -ATOM 3252 SD MET B 59 39.765 51.973 -1.660 1.00 24.40 S -ATOM 3253 CE MET B 59 41.098 52.317 -2.718 1.00 12.75 C -ATOM 3254 N ILE B 60 42.371 49.780 1.869 1.00 7.29 N -ATOM 3255 CA ILE B 60 42.077 50.161 3.238 1.00 6.04 C -ATOM 3256 C ILE B 60 40.940 51.210 3.259 1.00 10.95 C -ATOM 3257 O ILE B 60 40.985 52.216 2.551 1.00 11.67 O -ATOM 3258 CB ILE B 60 43.300 50.794 3.925 1.00 13.66 C -ATOM 3259 CG1 ILE B 60 44.463 49.826 3.993 1.00 6.00 C -ATOM 3260 CG2 ILE B 60 42.930 51.157 5.355 1.00 21.06 C -ATOM 3261 CD1 ILE B 60 45.696 50.496 4.602 1.00 14.81 C -ATOM 3262 N LEU B 61 39.905 50.985 4.051 1.00 17.71 N -ATOM 3263 CA LEU B 61 38.808 51.955 4.198 1.00 20.92 C -ATOM 3264 C LEU B 61 39.023 52.858 5.400 1.00 19.76 C -ATOM 3265 O LEU B 61 38.563 53.996 5.423 1.00 12.83 O -ATOM 3266 CB LEU B 61 37.491 51.278 4.426 1.00 12.38 C -ATOM 3267 CG LEU B 61 36.887 50.646 3.219 1.00 16.00 C -ATOM 3268 CD1 LEU B 61 35.953 49.541 3.630 1.00 14.17 C -ATOM 3269 CD2 LEU B 61 36.229 51.734 2.433 1.00 16.33 C -ATOM 3270 N SER B 62 39.683 52.334 6.423 1.00 20.82 N -ATOM 3271 CA SER B 62 39.967 53.177 7.551 1.00 15.96 C -ATOM 3272 C SER B 62 40.767 52.466 8.610 1.00 15.64 C -ATOM 3273 O SER B 62 40.827 51.255 8.707 1.00 21.79 O -ATOM 3274 CB SER B 62 38.640 53.662 8.133 1.00 13.80 C -ATOM 3275 OG SER B 62 38.821 54.279 9.372 1.00 19.60 O -ATOM 3276 N TYR B 63 41.300 53.259 9.484 1.00 18.85 N -ATOM 3277 CA TYR B 63 42.024 52.806 10.627 1.00 12.36 C -ATOM 3278 C TYR B 63 41.054 53.069 11.788 1.00 16.68 C -ATOM 3279 O TYR B 63 40.289 54.038 11.792 1.00 9.24 O -ATOM 3280 CB TYR B 63 43.306 53.621 10.773 1.00 15.22 C -ATOM 3281 CG TYR B 63 44.355 53.374 9.706 1.00 13.93 C -ATOM 3282 CD1 TYR B 63 44.484 52.121 9.111 1.00 15.08 C -ATOM 3283 CD2 TYR B 63 45.236 54.372 9.312 1.00 7.17 C -ATOM 3284 CE1 TYR B 63 45.481 51.858 8.141 1.00 13.67 C -ATOM 3285 CE2 TYR B 63 46.240 54.119 8.340 1.00 17.99 C -ATOM 3286 CZ TYR B 63 46.348 52.845 7.765 1.00 13.74 C -ATOM 3287 OH TYR B 63 47.312 52.533 6.845 1.00 15.67 O -ATOM 3288 N LEU B 64 41.028 52.163 12.742 1.00 13.42 N -ATOM 3289 CA LEU B 64 40.173 52.321 13.871 1.00 6.00 C -ATOM 3290 C LEU B 64 41.118 52.302 15.015 1.00 10.53 C -ATOM 3291 O LEU B 64 42.287 51.868 14.834 1.00 6.00 O -ATOM 3292 CB LEU B 64 39.209 51.173 13.889 1.00 6.00 C -ATOM 3293 CG LEU B 64 37.769 51.605 13.688 1.00 9.40 C -ATOM 3294 CD1 LEU B 64 37.715 52.775 12.673 1.00 8.66 C -ATOM 3295 CD2 LEU B 64 36.961 50.387 13.297 1.00 11.27 C -ATOM 3296 N ASN B 65 40.662 52.750 16.179 1.00 11.14 N -ATOM 3297 CA ASN B 65 41.557 52.792 17.334 1.00 12.99 C -ATOM 3298 C ASN B 65 40.805 52.551 18.649 1.00 19.41 C -ATOM 3299 O ASN B 65 39.608 52.241 18.679 1.00 21.12 O -ATOM 3300 CB ASN B 65 42.266 54.163 17.454 1.00 18.04 C -ATOM 3301 CG ASN B 65 43.116 54.564 16.218 1.00 14.22 C -ATOM 3302 OD1 ASN B 65 43.085 55.713 15.797 1.00 23.86 O -ATOM 3303 ND2 ASN B 65 43.876 53.642 15.667 1.00 26.92 N -ATOM 3304 N GLN B 66 41.547 52.687 19.738 1.00 19.41 N -ATOM 3305 CA GLN B 66 41.035 52.575 21.099 1.00 15.88 C -ATOM 3306 C GLN B 66 39.910 53.540 21.254 1.00 14.70 C -ATOM 3307 O GLN B 66 40.063 54.732 20.977 1.00 18.83 O -ATOM 3308 CB GLN B 66 42.127 52.923 22.105 1.00 29.78 C -ATOM 3309 CG GLN B 66 41.669 53.195 23.527 1.00 40.62 C -ATOM 3310 CD GLN B 66 42.748 53.916 24.339 1.00 43.47 C -ATOM 3311 OE1 GLN B 66 42.450 54.856 25.083 1.00 42.58 O -ATOM 3312 NE2 GLN B 66 44.004 53.494 24.185 1.00 42.99 N -ATOM 3313 N GLY B 67 38.780 52.993 21.660 1.00 11.02 N -ATOM 3314 CA GLY B 67 37.603 53.792 21.904 1.00 14.29 C -ATOM 3315 C GLY B 67 36.479 53.484 20.960 1.00 14.28 C -ATOM 3316 O GLY B 67 35.299 53.633 21.313 1.00 10.03 O -ATOM 3317 N ASP B 68 36.848 53.059 19.756 1.00 21.48 N -ATOM 3318 CA ASP B 68 35.883 52.767 18.697 1.00 19.79 C -ATOM 3319 C ASP B 68 35.264 51.395 18.795 1.00 16.57 C -ATOM 3320 O ASP B 68 35.892 50.481 19.265 1.00 21.37 O -ATOM 3321 CB ASP B 68 36.560 52.898 17.338 1.00 21.73 C -ATOM 3322 CG ASP B 68 37.179 54.271 17.116 1.00 15.95 C -ATOM 3323 OD1 ASP B 68 36.657 55.276 17.697 1.00 16.67 O -ATOM 3324 OD2 ASP B 68 38.194 54.313 16.370 1.00 8.64 O -ATOM 3325 N PHE B 69 34.006 51.279 18.392 1.00 18.99 N -ATOM 3326 CA PHE B 69 33.328 50.003 18.322 1.00 17.82 C -ATOM 3327 C PHE B 69 33.670 49.310 17.016 1.00 14.78 C -ATOM 3328 O PHE B 69 34.076 49.972 16.079 1.00 19.91 O -ATOM 3329 CB PHE B 69 31.865 50.189 18.359 1.00 21.54 C -ATOM 3330 CG PHE B 69 31.352 50.638 19.671 1.00 29.64 C -ATOM 3331 CD1 PHE B 69 31.032 49.705 20.649 1.00 24.31 C -ATOM 3332 CD2 PHE B 69 31.111 51.981 19.910 1.00 26.55 C -ATOM 3333 CE1 PHE B 69 30.476 50.105 21.827 1.00 24.04 C -ATOM 3334 CE2 PHE B 69 30.554 52.381 21.087 1.00 22.61 C -ATOM 3335 CZ PHE B 69 30.237 51.439 22.042 1.00 27.87 C -ATOM 3336 N ILE B 70 33.499 47.992 16.947 1.00 19.16 N -ATOM 3337 CA ILE B 70 33.810 47.256 15.708 1.00 22.22 C -ATOM 3338 C ILE B 70 32.724 46.253 15.325 1.00 17.94 C -ATOM 3339 O ILE B 70 32.239 45.547 16.160 1.00 18.74 O -ATOM 3340 CB ILE B 70 35.102 46.405 15.792 1.00 19.54 C -ATOM 3341 CG1 ILE B 70 36.309 47.236 16.163 1.00 21.44 C -ATOM 3342 CG2 ILE B 70 35.435 45.881 14.435 1.00 22.71 C -ATOM 3343 CD1 ILE B 70 37.578 46.374 16.210 1.00 17.03 C -ATOM 3344 N GLY B 71 32.335 46.173 14.069 1.00 15.70 N -ATOM 3345 CA GLY B 71 31.372 45.153 13.719 1.00 12.90 C -ATOM 3346 C GLY B 71 29.995 45.481 14.195 1.00 15.55 C -ATOM 3347 O GLY B 71 29.247 44.609 14.638 1.00 9.66 O -ATOM 3348 N GLU B 72 29.643 46.753 14.061 1.00 13.06 N -ATOM 3349 CA GLU B 72 28.350 47.204 14.506 1.00 9.98 C -ATOM 3350 C GLU B 72 27.288 47.121 13.467 1.00 6.30 C -ATOM 3351 O GLU B 72 26.118 47.115 13.811 1.00 16.70 O -ATOM 3352 CB GLU B 72 28.465 48.640 15.004 1.00 6.29 C -ATOM 3353 CG GLU B 72 29.806 49.291 14.717 1.00 6.00 C -ATOM 3354 CD GLU B 72 29.892 49.878 13.370 1.00 6.00 C -ATOM 3355 OE1 GLU B 72 30.948 49.814 12.732 1.00 6.80 O -ATOM 3356 OE2 GLU B 72 28.878 50.440 12.944 1.00 14.92 O -ATOM 3357 N LEU B 73 27.671 47.043 12.199 1.00 8.80 N -ATOM 3358 CA LEU B 73 26.651 47.057 11.138 1.00 16.62 C -ATOM 3359 C LEU B 73 25.834 45.782 11.069 1.00 17.15 C -ATOM 3360 O LEU B 73 24.689 45.783 10.573 1.00 25.19 O -ATOM 3361 CB LEU B 73 27.292 47.302 9.757 1.00 14.65 C -ATOM 3362 CG LEU B 73 28.151 48.538 9.421 1.00 7.34 C -ATOM 3363 CD1 LEU B 73 27.485 49.810 9.909 1.00 6.00 C -ATOM 3364 CD2 LEU B 73 29.473 48.393 10.076 1.00 13.59 C -ATOM 3365 N GLY B 74 26.418 44.701 11.577 1.00 16.35 N -ATOM 3366 CA GLY B 74 25.738 43.418 11.601 1.00 10.26 C -ATOM 3367 C GLY B 74 24.648 43.451 12.624 1.00 11.49 C -ATOM 3368 O GLY B 74 23.621 42.826 12.444 1.00 17.33 O -ATOM 3369 N LEU B 75 24.875 44.229 13.674 1.00 14.11 N -ATOM 3370 CA LEU B 75 23.956 44.353 14.793 1.00 17.74 C -ATOM 3371 C LEU B 75 22.532 44.743 14.481 1.00 17.87 C -ATOM 3372 O LEU B 75 21.652 44.306 15.211 1.00 16.33 O -ATOM 3373 CB LEU B 75 24.467 45.374 15.804 1.00 21.90 C -ATOM 3374 CG LEU B 75 23.364 45.873 16.760 1.00 27.58 C -ATOM 3375 CD1 LEU B 75 23.023 44.804 17.822 1.00 30.23 C -ATOM 3376 CD2 LEU B 75 23.851 47.115 17.446 1.00 24.21 C -ATOM 3377 N PHE B 76 22.272 45.521 13.427 1.00 23.44 N -ATOM 3378 CA PHE B 76 20.908 46.065 13.230 1.00 26.31 C -ATOM 3379 C PHE B 76 19.887 45.271 12.385 1.00 29.24 C -ATOM 3380 O PHE B 76 18.776 45.758 12.248 1.00 20.81 O -ATOM 3381 CB PHE B 76 21.059 47.504 12.686 1.00 18.51 C -ATOM 3382 CG PHE B 76 21.648 48.459 13.718 1.00 14.62 C -ATOM 3383 CD1 PHE B 76 20.827 49.156 14.593 1.00 20.69 C -ATOM 3384 CD2 PHE B 76 23.022 48.612 13.871 1.00 17.96 C -ATOM 3385 CE1 PHE B 76 21.347 49.977 15.599 1.00 9.37 C -ATOM 3386 CE2 PHE B 76 23.531 49.425 14.871 1.00 16.67 C -ATOM 3387 CZ PHE B 76 22.685 50.103 15.732 1.00 15.64 C -ATOM 3388 N GLU B 77 20.173 44.074 11.868 1.00 36.81 N -ATOM 3389 CA GLU B 77 19.156 43.307 11.109 1.00 39.12 C -ATOM 3390 C GLU B 77 19.249 41.774 11.235 1.00 44.95 C -ATOM 3391 O GLU B 77 18.221 41.088 11.202 1.00 45.76 O -ATOM 3392 CB GLU B 77 19.208 43.612 9.612 1.00 48.64 C -ATOM 3393 CG GLU B 77 18.552 44.908 9.138 1.00 52.08 C -ATOM 3394 CD GLU B 77 18.171 44.831 7.671 1.00 54.09 C -ATOM 3395 OE1 GLU B 77 18.175 43.704 7.134 1.00 51.05 O -ATOM 3396 OE2 GLU B 77 17.857 45.877 7.054 1.00 55.00 O -ATOM 3397 N GLU B 78 20.466 41.241 11.354 1.00 50.83 N -ATOM 3398 CA GLU B 78 20.731 39.790 11.461 1.00 52.94 C -ATOM 3399 C GLU B 78 20.285 38.940 10.262 1.00 51.17 C -ATOM 3400 O GLU B 78 19.262 39.167 9.591 1.00 50.16 O -ATOM 3401 CB GLU B 78 20.077 39.189 12.722 1.00 54.64 C -ATOM 3402 CG GLU B 78 21.044 39.015 13.916 1.00 55.00 C -ATOM 3403 CD GLU B 78 22.232 38.065 13.635 1.00 55.00 C -ATOM 3404 OE1 GLU B 78 22.070 36.827 13.770 1.00 55.00 O -ATOM 3405 OE2 GLU B 78 23.330 38.561 13.283 1.00 55.00 O -ATOM 3406 N GLY B 79 21.100 37.907 10.074 1.00 45.38 N -ATOM 3407 CA GLY B 79 20.997 36.985 8.969 1.00 40.99 C -ATOM 3408 C GLY B 79 22.317 37.202 8.265 1.00 42.94 C -ATOM 3409 O GLY B 79 23.042 36.249 7.951 1.00 49.32 O -ATOM 3410 N GLN B 80 22.630 38.501 8.117 1.00 37.62 N -ATOM 3411 CA GLN B 80 23.809 39.075 7.439 1.00 31.92 C -ATOM 3412 C GLN B 80 25.230 38.745 7.967 1.00 30.12 C -ATOM 3413 O GLN B 80 25.429 38.091 9.007 1.00 32.62 O -ATOM 3414 CB GLN B 80 23.641 40.608 7.392 1.00 33.45 C -ATOM 3415 CG GLN B 80 23.357 41.336 8.725 1.00 31.32 C -ATOM 3416 CD GLN B 80 23.089 42.804 8.480 1.00 29.75 C -ATOM 3417 OE1 GLN B 80 23.831 43.469 7.764 1.00 35.74 O -ATOM 3418 NE2 GLN B 80 22.016 43.312 9.052 1.00 27.54 N -ATOM 3419 N GLU B 81 26.213 39.250 7.217 1.00 24.00 N -ATOM 3420 CA GLU B 81 27.633 39.014 7.458 1.00 22.61 C -ATOM 3421 C GLU B 81 28.568 40.252 7.533 1.00 21.19 C -ATOM 3422 O GLU B 81 28.246 41.355 7.136 1.00 27.65 O -ATOM 3423 CB GLU B 81 28.112 38.029 6.369 1.00 32.49 C -ATOM 3424 CG GLU B 81 27.521 38.217 4.937 1.00 43.60 C -ATOM 3425 CD GLU B 81 27.644 36.960 4.024 1.00 49.63 C -ATOM 3426 OE1 GLU B 81 28.283 37.044 2.934 1.00 51.23 O -ATOM 3427 OE2 GLU B 81 27.082 35.893 4.402 1.00 45.25 O -ATOM 3428 N ARG B 82 29.741 40.036 8.098 1.00 18.77 N -ATOM 3429 CA ARG B 82 30.745 41.051 8.269 1.00 20.60 C -ATOM 3430 C ARG B 82 30.862 41.707 6.932 1.00 20.92 C -ATOM 3431 O ARG B 82 31.053 41.004 5.944 1.00 27.79 O -ATOM 3432 CB ARG B 82 32.057 40.406 8.637 1.00 16.57 C -ATOM 3433 CG ARG B 82 31.906 39.311 9.680 1.00 23.83 C -ATOM 3434 CD ARG B 82 31.890 39.738 11.121 1.00 22.31 C -ATOM 3435 NE ARG B 82 30.875 40.691 11.544 1.00 17.44 N -ATOM 3436 CZ ARG B 82 30.657 40.952 12.833 1.00 21.56 C -ATOM 3437 NH1 ARG B 82 31.364 40.336 13.788 1.00 21.77 N -ATOM 3438 NH2 ARG B 82 29.746 41.829 13.185 1.00 9.90 N -ATOM 3439 N SER B 83 30.751 43.033 6.900 1.00 29.02 N -ATOM 3440 CA SER B 83 30.806 43.834 5.654 1.00 19.08 C -ATOM 3441 C SER B 83 32.229 44.037 5.112 1.00 12.88 C -ATOM 3442 O SER B 83 32.389 44.177 3.899 1.00 6.00 O -ATOM 3443 CB SER B 83 30.191 45.242 5.871 1.00 6.00 C -ATOM 3444 OG SER B 83 31.173 46.099 6.454 1.00 6.95 O -ATOM 3445 N ALA B 84 33.231 44.059 6.001 1.00 6.77 N -ATOM 3446 CA ALA B 84 34.635 44.348 5.639 1.00 6.00 C -ATOM 3447 C ALA B 84 35.613 43.398 6.270 1.00 6.00 C -ATOM 3448 O ALA B 84 35.260 42.407 6.800 1.00 7.62 O -ATOM 3449 CB ALA B 84 34.998 45.770 6.074 1.00 7.89 C -ATOM 3450 N TRP B 85 36.876 43.705 6.195 1.00 6.00 N -ATOM 3451 CA TRP B 85 37.862 42.896 6.861 1.00 6.00 C -ATOM 3452 C TRP B 85 38.463 43.731 8.020 1.00 10.46 C -ATOM 3453 O TRP B 85 38.644 44.935 7.870 1.00 23.59 O -ATOM 3454 CB TRP B 85 38.928 42.554 5.895 1.00 7.07 C -ATOM 3455 CG TRP B 85 39.386 41.157 5.945 1.00 24.14 C -ATOM 3456 CD1 TRP B 85 40.187 40.593 6.875 1.00 32.33 C -ATOM 3457 CD2 TRP B 85 39.087 40.142 4.986 1.00 29.73 C -ATOM 3458 NE1 TRP B 85 40.418 39.269 6.565 1.00 33.73 N -ATOM 3459 CE2 TRP B 85 39.747 38.963 5.412 1.00 37.12 C -ATOM 3460 CE3 TRP B 85 38.320 40.114 3.814 1.00 24.54 C -ATOM 3461 CZ2 TRP B 85 39.671 37.761 4.704 1.00 37.70 C -ATOM 3462 CZ3 TRP B 85 38.236 38.939 3.116 1.00 34.03 C -ATOM 3463 CH2 TRP B 85 38.914 37.769 3.561 1.00 36.54 C -ATOM 3464 N VAL B 86 38.770 43.133 9.171 1.00 16.12 N -ATOM 3465 CA VAL B 86 39.413 43.898 10.244 1.00 12.63 C -ATOM 3466 C VAL B 86 40.687 43.177 10.754 1.00 14.66 C -ATOM 3467 O VAL B 86 40.550 42.220 11.482 1.00 17.35 O -ATOM 3468 CB VAL B 86 38.485 44.080 11.462 1.00 7.66 C -ATOM 3469 CG1 VAL B 86 39.137 45.006 12.419 1.00 6.00 C -ATOM 3470 CG2 VAL B 86 37.178 44.615 11.065 1.00 6.00 C -ATOM 3471 N ARG B 87 41.887 43.616 10.364 1.00 6.92 N -ATOM 3472 CA ARG B 87 43.162 43.049 10.788 1.00 6.00 C -ATOM 3473 C ARG B 87 43.720 43.908 11.893 1.00 17.11 C -ATOM 3474 O ARG B 87 43.380 45.089 12.018 1.00 33.23 O -ATOM 3475 CB ARG B 87 44.243 43.046 9.714 1.00 16.01 C -ATOM 3476 CG ARG B 87 43.895 42.297 8.455 1.00 37.49 C -ATOM 3477 CD ARG B 87 45.080 42.197 7.480 1.00 49.03 C -ATOM 3478 NE ARG B 87 44.744 41.681 6.136 1.00 55.00 N -ATOM 3479 CZ ARG B 87 43.799 40.784 5.827 1.00 50.58 C -ATOM 3480 NH1 ARG B 87 43.028 40.251 6.777 1.00 42.50 N -ATOM 3481 NH2 ARG B 87 43.641 40.410 4.547 1.00 43.58 N -ATOM 3482 N ALA B 88 44.626 43.316 12.666 1.00 26.11 N -ATOM 3483 CA ALA B 88 45.247 43.954 13.798 1.00 20.18 C -ATOM 3484 C ALA B 88 46.468 44.676 13.343 1.00 16.68 C -ATOM 3485 O ALA B 88 47.427 44.031 12.974 1.00 9.84 O -ATOM 3486 CB ALA B 88 45.604 42.906 14.804 1.00 12.50 C -ATOM 3487 N LYS B 89 46.452 46.003 13.357 1.00 16.04 N -ATOM 3488 CA LYS B 89 47.628 46.791 12.938 1.00 17.40 C -ATOM 3489 C LYS B 89 48.736 46.569 13.968 1.00 20.68 C -ATOM 3490 O LYS B 89 49.912 46.681 13.658 1.00 28.02 O -ATOM 3491 CB LYS B 89 47.282 48.291 12.880 1.00 20.11 C -ATOM 3492 CG LYS B 89 47.987 49.149 11.791 1.00 21.48 C -ATOM 3493 CD LYS B 89 47.782 50.655 12.018 1.00 13.64 C -ATOM 3494 CE LYS B 89 46.440 50.993 12.682 1.00 21.46 C -ATOM 3495 NZ LYS B 89 45.174 50.561 12.029 1.00 19.98 N -ATOM 3496 N THR B 90 48.322 46.262 15.198 1.00 29.60 N -ATOM 3497 CA THR B 90 49.186 45.987 16.366 1.00 30.38 C -ATOM 3498 C THR B 90 48.403 45.244 17.506 1.00 30.23 C -ATOM 3499 O THR B 90 47.251 44.791 17.308 1.00 28.51 O -ATOM 3500 CB THR B 90 49.770 47.326 16.928 1.00 35.36 C -ATOM 3501 OG1 THR B 90 48.716 48.292 17.067 1.00 33.67 O -ATOM 3502 CG2 THR B 90 50.849 47.885 15.990 1.00 37.99 C -ATOM 3503 N ALA B 91 49.003 45.109 18.689 1.00 19.33 N -ATOM 3504 CA ALA B 91 48.317 44.408 19.764 1.00 12.40 C -ATOM 3505 C ALA B 91 47.097 45.133 20.262 1.00 13.58 C -ATOM 3506 O ALA B 91 47.061 46.351 20.409 1.00 20.36 O -ATOM 3507 CB ALA B 91 49.257 44.185 20.909 1.00 22.11 C -ATOM 3508 N CYS B 92 46.109 44.341 20.632 1.00 15.53 N -ATOM 3509 CA CYS B 92 44.858 44.917 21.019 1.00 17.95 C -ATOM 3510 C CYS B 92 44.111 44.123 22.055 1.00 23.53 C -ATOM 3511 O CYS B 92 44.165 42.919 22.105 1.00 26.59 O -ATOM 3512 CB CYS B 92 43.913 45.049 19.806 1.00 24.64 C -ATOM 3513 SG CYS B 92 44.491 45.838 18.270 1.00 30.34 S -ATOM 3514 N GLU B 93 43.400 44.823 22.902 1.00 22.27 N -ATOM 3515 CA GLU B 93 42.520 44.157 23.799 1.00 24.30 C -ATOM 3516 C GLU B 93 41.149 44.479 23.416 1.00 23.89 C -ATOM 3517 O GLU B 93 40.797 45.641 23.353 1.00 23.65 O -ATOM 3518 CB GLU B 93 42.816 44.560 25.282 1.00 35.19 C -ATOM 3519 CG GLU B 93 43.674 43.553 26.126 1.00 27.78 C -ATOM 3520 CD GLU B 93 44.121 44.067 27.531 1.00 39.91 C -ATOM 3521 OE1 GLU B 93 45.333 44.380 27.696 1.00 33.18 O -ATOM 3522 OE2 GLU B 93 43.273 44.161 28.461 1.00 40.19 O -ATOM 3523 N VAL B 94 40.409 43.438 23.128 1.00 20.98 N -ATOM 3524 CA VAL B 94 39.140 43.615 22.515 1.00 21.41 C -ATOM 3525 C VAL B 94 38.048 43.008 23.314 1.00 22.80 C -ATOM 3526 O VAL B 94 37.997 41.784 23.484 1.00 22.76 O -ATOM 3527 CB VAL B 94 39.199 42.997 21.107 1.00 15.89 C -ATOM 3528 CG1 VAL B 94 37.970 43.353 20.344 1.00 18.97 C -ATOM 3529 CG2 VAL B 94 40.448 43.490 20.400 1.00 15.61 C -ATOM 3530 N ALA B 95 37.167 43.864 23.809 1.00 18.25 N -ATOM 3531 CA ALA B 95 36.067 43.364 24.597 1.00 18.99 C -ATOM 3532 C ALA B 95 35.115 42.864 23.560 1.00 17.66 C -ATOM 3533 O ALA B 95 34.971 43.573 22.567 1.00 8.82 O -ATOM 3534 CB ALA B 95 35.441 44.497 25.437 1.00 21.84 C -ATOM 3535 N GLU B 96 34.514 41.679 23.789 1.00 13.83 N -ATOM 3536 CA GLU B 96 33.592 41.030 22.862 1.00 11.93 C -ATOM 3537 C GLU B 96 32.340 40.664 23.612 1.00 14.51 C -ATOM 3538 O GLU B 96 32.428 40.087 24.683 1.00 32.79 O -ATOM 3539 CB GLU B 96 34.254 39.766 22.265 1.00 20.40 C -ATOM 3540 CG GLU B 96 33.574 39.273 20.935 1.00 28.95 C -ATOM 3541 CD GLU B 96 34.422 38.319 20.052 1.00 35.80 C -ATOM 3542 OE1 GLU B 96 35.673 38.240 20.153 1.00 26.69 O -ATOM 3543 OE2 GLU B 96 33.818 37.634 19.215 1.00 40.51 O -ATOM 3544 N ILE B 97 31.188 41.012 23.039 1.00 27.77 N -ATOM 3545 CA ILE B 97 29.834 40.816 23.603 1.00 25.08 C -ATOM 3546 C ILE B 97 29.009 40.262 22.458 1.00 30.78 C -ATOM 3547 O ILE B 97 29.191 40.726 21.325 1.00 31.49 O -ATOM 3548 CB ILE B 97 29.055 42.101 23.952 1.00 21.23 C -ATOM 3549 CG1 ILE B 97 30.038 43.172 24.341 1.00 26.71 C -ATOM 3550 CG2 ILE B 97 28.044 41.845 25.067 1.00 11.21 C -ATOM 3551 CD1 ILE B 97 29.385 44.524 24.558 1.00 35.75 C -ATOM 3552 N SER B 98 28.094 39.328 22.711 1.00 26.24 N -ATOM 3553 CA SER B 98 27.290 38.872 21.596 1.00 21.67 C -ATOM 3554 C SER B 98 26.376 40.022 21.281 1.00 25.28 C -ATOM 3555 O SER B 98 26.097 40.903 22.118 1.00 21.48 O -ATOM 3556 CB SER B 98 26.394 37.638 21.928 1.00 22.74 C -ATOM 3557 OG SER B 98 25.116 37.952 22.500 1.00 14.02 O -ATOM 3558 N TYR B 99 25.888 40.018 20.065 1.00 34.58 N -ATOM 3559 CA TYR B 99 24.922 41.017 19.717 1.00 34.34 C -ATOM 3560 C TYR B 99 23.836 40.998 20.792 1.00 36.42 C -ATOM 3561 O TYR B 99 23.600 42.001 21.489 1.00 22.23 O -ATOM 3562 CB TYR B 99 24.379 40.672 18.338 1.00 24.78 C -ATOM 3563 CG TYR B 99 25.244 41.217 17.212 1.00 24.92 C -ATOM 3564 CD1 TYR B 99 26.309 42.092 17.472 1.00 22.72 C -ATOM 3565 CD2 TYR B 99 24.941 40.932 15.890 1.00 17.99 C -ATOM 3566 CE1 TYR B 99 27.018 42.660 16.435 1.00 20.29 C -ATOM 3567 CE2 TYR B 99 25.648 41.500 14.863 1.00 19.77 C -ATOM 3568 CZ TYR B 99 26.680 42.368 15.136 1.00 17.87 C -ATOM 3569 OH TYR B 99 27.328 42.983 14.086 1.00 17.59 O -ATOM 3570 N LYS B 100 23.298 39.789 20.971 1.00 41.39 N -ATOM 3571 CA LYS B 100 22.216 39.479 21.898 1.00 45.09 C -ATOM 3572 C LYS B 100 22.383 40.037 23.298 1.00 45.22 C -ATOM 3573 O LYS B 100 21.424 40.633 23.821 1.00 45.43 O -ATOM 3574 CB LYS B 100 22.038 37.963 21.978 1.00 52.10 C -ATOM 3575 CG LYS B 100 21.205 37.410 20.826 1.00 55.00 C -ATOM 3576 CD LYS B 100 21.606 35.999 20.449 1.00 46.03 C -ATOM 3577 CE LYS B 100 23.085 36.019 20.072 1.00 55.00 C -ATOM 3578 NZ LYS B 100 23.471 37.245 19.279 1.00 43.44 N -ATOM 3579 N LYS B 101 23.517 39.878 23.970 1.00 38.98 N -ATOM 3580 CA LYS B 101 23.527 40.494 25.269 1.00 43.30 C -ATOM 3581 C LYS B 101 23.475 42.005 25.053 1.00 43.04 C -ATOM 3582 O LYS B 101 22.738 42.702 25.760 1.00 39.45 O -ATOM 3583 CB LYS B 101 24.778 40.128 26.076 1.00 47.21 C -ATOM 3584 CG LYS B 101 24.420 39.340 27.371 1.00 49.39 C -ATOM 3585 CD LYS B 101 23.393 40.084 28.264 1.00 55.00 C -ATOM 3586 CE LYS B 101 22.842 39.294 29.487 1.00 47.16 C -ATOM 3587 NZ LYS B 101 23.739 39.142 30.656 1.00 42.69 N -ATOM 3588 N PHE B 102 24.178 42.516 24.041 1.00 41.40 N -ATOM 3589 CA PHE B 102 24.165 43.961 23.816 1.00 37.49 C -ATOM 3590 C PHE B 102 22.785 44.494 23.454 1.00 35.61 C -ATOM 3591 O PHE B 102 22.362 45.545 23.975 1.00 45.48 O -ATOM 3592 CB PHE B 102 25.098 44.356 22.707 1.00 33.29 C -ATOM 3593 CG PHE B 102 25.442 45.812 22.725 1.00 34.45 C -ATOM 3594 CD1 PHE B 102 26.388 46.300 23.636 1.00 37.00 C -ATOM 3595 CD2 PHE B 102 24.856 46.700 21.824 1.00 30.26 C -ATOM 3596 CE1 PHE B 102 26.752 47.666 23.641 1.00 30.37 C -ATOM 3597 CE2 PHE B 102 25.214 48.058 21.822 1.00 28.37 C -ATOM 3598 CZ PHE B 102 26.163 48.533 22.731 1.00 33.87 C -ATOM 3599 N ARG B 103 22.067 43.792 22.590 1.00 28.86 N -ATOM 3600 CA ARG B 103 20.728 44.225 22.227 1.00 29.67 C -ATOM 3601 C ARG B 103 19.947 44.491 23.519 1.00 32.28 C -ATOM 3602 O ARG B 103 19.036 45.314 23.560 1.00 37.56 O -ATOM 3603 CB ARG B 103 20.048 43.129 21.405 1.00 39.46 C -ATOM 3604 CG ARG B 103 18.956 43.610 20.426 1.00 43.95 C -ATOM 3605 CD ARG B 103 18.323 42.440 19.636 1.00 39.97 C -ATOM 3606 NE ARG B 103 19.280 41.520 19.018 1.00 31.23 N -ATOM 3607 CZ ARG B 103 20.363 41.891 18.344 1.00 39.74 C -ATOM 3608 NH1 ARG B 103 20.653 43.172 18.186 1.00 41.47 N -ATOM 3609 NH2 ARG B 103 21.161 40.977 17.818 1.00 40.06 N -ATOM 3610 N GLN B 104 20.319 43.766 24.571 1.00 36.68 N -ATOM 3611 CA GLN B 104 19.729 43.908 25.893 1.00 36.85 C -ATOM 3612 C GLN B 104 20.252 45.120 26.663 1.00 35.07 C -ATOM 3613 O GLN B 104 19.432 45.907 27.118 1.00 43.70 O -ATOM 3614 CB GLN B 104 19.995 42.667 26.764 1.00 45.84 C -ATOM 3615 CG GLN B 104 19.316 41.355 26.350 1.00 50.71 C -ATOM 3616 CD GLN B 104 19.618 40.226 27.322 1.00 45.87 C -ATOM 3617 OE1 GLN B 104 20.110 40.452 28.428 1.00 49.19 O -ATOM 3618 NE2 GLN B 104 19.331 39.005 26.910 1.00 45.34 N -ATOM 3619 N LEU B 105 21.579 45.271 26.824 1.00 21.55 N -ATOM 3620 CA LEU B 105 22.144 46.383 27.587 1.00 14.59 C -ATOM 3621 C LEU B 105 21.600 47.704 27.146 1.00 22.70 C -ATOM 3622 O LEU B 105 21.640 48.661 27.937 1.00 28.95 O -ATOM 3623 CB LEU B 105 23.653 46.479 27.457 1.00 19.00 C -ATOM 3624 CG LEU B 105 24.525 45.496 28.237 1.00 36.59 C -ATOM 3625 CD1 LEU B 105 24.304 44.076 27.746 1.00 35.92 C -ATOM 3626 CD2 LEU B 105 25.997 45.893 28.046 1.00 39.67 C -ATOM 3627 N ILE B 106 21.144 47.777 25.889 1.00 22.99 N -ATOM 3628 CA ILE B 106 20.510 48.992 25.342 1.00 24.41 C -ATOM 3629 C ILE B 106 19.124 49.295 25.961 1.00 27.47 C -ATOM 3630 O ILE B 106 18.757 50.464 26.118 1.00 32.60 O -ATOM 3631 CB ILE B 106 20.402 48.840 23.792 1.00 33.40 C -ATOM 3632 CG1 ILE B 106 21.645 49.494 23.169 1.00 26.21 C -ATOM 3633 CG2 ILE B 106 19.084 49.410 23.283 1.00 27.21 C -ATOM 3634 CD1 ILE B 106 21.859 49.167 21.723 1.00 25.88 C -ATOM 3635 N GLN B 107 18.363 48.250 26.292 1.00 36.21 N -ATOM 3636 CA GLN B 107 17.030 48.326 26.947 1.00 39.50 C -ATOM 3637 C GLN B 107 17.081 48.867 28.391 1.00 43.18 C -ATOM 3638 O GLN B 107 16.069 49.346 28.912 1.00 45.64 O -ATOM 3639 CB GLN B 107 16.393 46.950 27.015 1.00 36.51 C -ATOM 3640 CG GLN B 107 16.034 46.394 25.701 1.00 43.78 C -ATOM 3641 CD GLN B 107 14.899 47.152 25.144 1.00 49.10 C -ATOM 3642 OE1 GLN B 107 14.085 47.705 25.894 1.00 55.00 O -ATOM 3643 NE2 GLN B 107 14.819 47.205 23.826 1.00 52.69 N -ATOM 3644 N VAL B 108 18.239 48.686 29.035 1.00 45.91 N -ATOM 3645 CA VAL B 108 18.577 49.115 30.401 1.00 46.45 C -ATOM 3646 C VAL B 108 19.060 50.571 30.411 1.00 50.06 C -ATOM 3647 O VAL B 108 18.607 51.412 31.205 1.00 45.24 O -ATOM 3648 CB VAL B 108 19.693 48.194 30.968 1.00 48.78 C -ATOM 3649 CG1 VAL B 108 20.397 48.868 32.132 1.00 49.98 C -ATOM 3650 CG2 VAL B 108 19.072 46.866 31.399 1.00 51.07 C -ATOM 3651 N ASN B 109 20.003 50.854 29.516 1.00 51.18 N -ATOM 3652 CA ASN B 109 20.571 52.186 29.392 1.00 49.47 C -ATOM 3653 C ASN B 109 20.694 52.580 27.909 1.00 49.01 C -ATOM 3654 O ASN B 109 21.276 51.836 27.122 1.00 48.13 O -ATOM 3655 CB ASN B 109 21.939 52.195 30.066 1.00 42.66 C -ATOM 3656 CG ASN B 109 22.599 53.558 30.019 1.00 45.82 C -ATOM 3657 OD1 ASN B 109 23.819 53.670 29.919 1.00 43.90 O -ATOM 3658 ND2 ASN B 109 21.794 54.607 30.097 1.00 37.43 N -ATOM 3659 N PRO B 110 20.122 53.735 27.503 1.00 44.84 N -ATOM 3660 CA PRO B 110 20.150 54.196 26.114 1.00 44.29 C -ATOM 3661 C PRO B 110 21.492 54.798 25.689 1.00 43.42 C -ATOM 3662 O PRO B 110 21.763 54.932 24.499 1.00 45.40 O -ATOM 3663 CB PRO B 110 18.997 55.190 26.047 1.00 44.19 C -ATOM 3664 CG PRO B 110 18.143 54.789 27.174 1.00 44.57 C -ATOM 3665 CD PRO B 110 19.197 54.610 28.232 1.00 44.70 C -ATOM 3666 N ASP B 111 22.336 55.156 26.648 1.00 40.76 N -ATOM 3667 CA ASP B 111 23.606 55.808 26.337 1.00 35.04 C -ATOM 3668 C ASP B 111 24.596 54.980 25.517 1.00 34.58 C -ATOM 3669 O ASP B 111 25.265 55.548 24.647 1.00 35.88 O -ATOM 3670 CB ASP B 111 24.286 56.232 27.622 1.00 31.26 C -ATOM 3671 CG ASP B 111 25.304 57.279 27.390 1.00 27.36 C -ATOM 3672 OD1 ASP B 111 24.898 58.459 27.399 1.00 30.57 O -ATOM 3673 OD2 ASP B 111 26.490 56.929 27.196 1.00 34.17 O -ATOM 3674 N ILE B 112 24.743 53.675 25.755 1.00 35.40 N -ATOM 3675 CA ILE B 112 25.715 52.980 24.913 1.00 31.11 C -ATOM 3676 C ILE B 112 25.213 52.937 23.462 1.00 28.23 C -ATOM 3677 O ILE B 112 25.987 53.187 22.570 1.00 21.24 O -ATOM 3678 CB ILE B 112 26.015 51.495 25.352 1.00 18.78 C -ATOM 3679 CG1 ILE B 112 25.611 51.203 26.785 1.00 16.34 C -ATOM 3680 CG2 ILE B 112 27.530 51.316 25.428 1.00 12.73 C -ATOM 3681 CD1 ILE B 112 24.152 50.990 26.965 1.00 29.32 C -ATOM 3682 N LEU B 113 23.945 52.670 23.196 1.00 21.42 N -ATOM 3683 CA LEU B 113 23.496 52.700 21.790 1.00 35.44 C -ATOM 3684 C LEU B 113 23.784 54.058 21.087 1.00 39.01 C -ATOM 3685 O LEU B 113 23.894 54.134 19.858 1.00 44.54 O -ATOM 3686 CB LEU B 113 21.989 52.451 21.676 1.00 38.71 C -ATOM 3687 CG LEU B 113 21.427 52.726 20.270 1.00 37.54 C -ATOM 3688 CD1 LEU B 113 22.001 51.741 19.230 1.00 36.43 C -ATOM 3689 CD2 LEU B 113 19.912 52.617 20.358 1.00 43.65 C -ATOM 3690 N MET B 114 23.839 55.140 21.851 1.00 45.57 N -ATOM 3691 CA MET B 114 24.156 56.429 21.262 1.00 40.81 C -ATOM 3692 C MET B 114 25.621 56.408 20.972 1.00 39.44 C -ATOM 3693 O MET B 114 26.039 56.667 19.842 1.00 46.20 O -ATOM 3694 CB MET B 114 23.905 57.598 22.209 1.00 32.30 C -ATOM 3695 CG MET B 114 22.466 58.001 22.452 1.00 34.46 C -ATOM 3696 SD MET B 114 21.836 59.359 21.419 1.00 38.84 S -ATOM 3697 CE MET B 114 23.270 60.518 21.406 1.00 30.50 C -ATOM 3698 N ARG B 115 26.409 56.083 21.996 1.00 33.43 N -ATOM 3699 CA ARG B 115 27.864 56.080 21.820 1.00 35.32 C -ATOM 3700 C ARG B 115 28.296 55.268 20.603 1.00 31.00 C -ATOM 3701 O ARG B 115 29.396 55.449 20.102 1.00 26.39 O -ATOM 3702 CB ARG B 115 28.544 55.532 23.073 1.00 37.53 C -ATOM 3703 CG ARG B 115 28.287 56.438 24.238 1.00 34.45 C -ATOM 3704 CD ARG B 115 29.291 56.170 25.323 1.00 42.05 C -ATOM 3705 NE ARG B 115 29.150 57.092 26.448 1.00 39.24 N -ATOM 3706 CZ ARG B 115 30.170 57.471 27.199 1.00 37.47 C -ATOM 3707 NH1 ARG B 115 31.383 57.002 26.929 1.00 44.91 N -ATOM 3708 NH2 ARG B 115 29.984 58.311 28.205 1.00 39.68 N -ATOM 3709 N LEU B 116 27.437 54.360 20.156 1.00 26.33 N -ATOM 3710 CA LEU B 116 27.684 53.629 18.940 1.00 20.90 C -ATOM 3711 C LEU B 116 27.368 54.581 17.779 1.00 22.04 C -ATOM 3712 O LEU B 116 28.260 55.045 17.061 1.00 12.77 O -ATOM 3713 CB LEU B 116 26.770 52.418 18.855 1.00 24.96 C -ATOM 3714 CG LEU B 116 26.723 51.829 17.441 1.00 31.68 C -ATOM 3715 CD1 LEU B 116 27.954 50.994 17.288 1.00 33.91 C -ATOM 3716 CD2 LEU B 116 25.448 51.011 17.197 1.00 28.00 C -ATOM 3717 N SER B 117 26.078 54.882 17.631 1.00 6.00 N -ATOM 3718 CA SER B 117 25.613 55.751 16.564 1.00 9.49 C -ATOM 3719 C SER B 117 26.467 57.004 16.351 1.00 8.50 C -ATOM 3720 O SER B 117 26.702 57.362 15.229 1.00 16.84 O -ATOM 3721 CB SER B 117 24.186 56.160 16.840 1.00 14.50 C -ATOM 3722 OG SER B 117 23.439 54.978 17.029 1.00 27.72 O -ATOM 3723 N ALA B 118 26.946 57.680 17.373 1.00 18.16 N -ATOM 3724 CA ALA B 118 27.784 58.817 17.061 1.00 25.91 C -ATOM 3725 C ALA B 118 28.911 58.309 16.164 1.00 26.83 C -ATOM 3726 O ALA B 118 29.224 58.853 15.083 1.00 17.64 O -ATOM 3727 CB ALA B 118 28.364 59.392 18.321 1.00 24.51 C -ATOM 3728 N GLN B 119 29.495 57.208 16.625 1.00 31.09 N -ATOM 3729 CA GLN B 119 30.617 56.579 15.943 1.00 32.55 C -ATOM 3730 C GLN B 119 30.248 56.338 14.439 1.00 31.63 C -ATOM 3731 O GLN B 119 30.899 56.868 13.533 1.00 30.13 O -ATOM 3732 CB GLN B 119 30.941 55.266 16.710 1.00 22.88 C -ATOM 3733 CG GLN B 119 32.426 54.920 16.958 1.00 29.70 C -ATOM 3734 CD GLN B 119 32.907 54.979 18.422 1.00 20.53 C -ATOM 3735 OE1 GLN B 119 34.106 54.935 18.692 1.00 28.26 O -ATOM 3736 NE2 GLN B 119 31.989 55.071 19.352 1.00 29.92 N -ATOM 3737 N MET B 120 29.182 55.597 14.161 1.00 25.81 N -ATOM 3738 CA MET B 120 28.810 55.369 12.771 1.00 24.00 C -ATOM 3739 C MET B 120 28.535 56.670 12.010 1.00 22.19 C -ATOM 3740 O MET B 120 28.673 56.734 10.797 1.00 30.05 O -ATOM 3741 CB MET B 120 27.564 54.493 12.688 1.00 18.75 C -ATOM 3742 CG MET B 120 27.719 53.140 13.321 1.00 14.42 C -ATOM 3743 SD MET B 120 26.207 52.193 13.016 1.00 21.76 S -ATOM 3744 CE MET B 120 25.128 53.111 14.061 1.00 18.57 C -ATOM 3745 N ALA B 121 28.129 57.700 12.726 1.00 14.97 N -ATOM 3746 CA ALA B 121 27.829 58.977 12.127 1.00 13.16 C -ATOM 3747 C ALA B 121 29.076 59.622 11.592 1.00 15.04 C -ATOM 3748 O ALA B 121 29.053 60.120 10.470 1.00 25.68 O -ATOM 3749 CB ALA B 121 27.195 59.893 13.140 1.00 30.92 C -ATOM 3750 N ARG B 122 30.176 59.625 12.319 1.00 6.00 N -ATOM 3751 CA ARG B 122 31.260 60.284 11.666 1.00 12.43 C -ATOM 3752 C ARG B 122 31.847 59.419 10.595 1.00 21.97 C -ATOM 3753 O ARG B 122 32.390 59.942 9.596 1.00 32.36 O -ATOM 3754 CB ARG B 122 32.334 60.698 12.668 1.00 15.11 C -ATOM 3755 CG ARG B 122 31.812 61.893 13.549 1.00 32.79 C -ATOM 3756 CD ARG B 122 30.726 62.871 12.887 1.00 34.68 C -ATOM 3757 NE ARG B 122 31.056 63.570 11.623 1.00 40.65 N -ATOM 3758 CZ ARG B 122 30.204 64.329 10.910 1.00 35.47 C -ATOM 3759 NH1 ARG B 122 28.954 64.524 11.289 1.00 35.14 N -ATOM 3760 NH2 ARG B 122 30.587 64.922 9.795 1.00 36.21 N -ATOM 3761 N ARG B 123 31.721 58.102 10.752 1.00 31.72 N -ATOM 3762 CA ARG B 123 32.241 57.213 9.707 1.00 28.48 C -ATOM 3763 C ARG B 123 31.423 57.307 8.437 1.00 22.27 C -ATOM 3764 O ARG B 123 31.967 57.063 7.392 1.00 18.23 O -ATOM 3765 CB ARG B 123 32.245 55.759 10.162 1.00 22.47 C -ATOM 3766 CG ARG B 123 33.297 55.490 11.184 1.00 20.81 C -ATOM 3767 CD ARG B 123 32.973 54.200 11.837 1.00 20.58 C -ATOM 3768 NE ARG B 123 33.871 53.904 12.936 1.00 21.43 N -ATOM 3769 CZ ARG B 123 33.573 53.029 13.890 1.00 21.50 C -ATOM 3770 NH1 ARG B 123 32.408 52.379 13.885 1.00 17.90 N -ATOM 3771 NH2 ARG B 123 34.455 52.779 14.828 1.00 19.75 N -ATOM 3772 N LEU B 124 30.137 57.636 8.492 1.00 12.68 N -ATOM 3773 CA LEU B 124 29.429 57.745 7.231 1.00 9.16 C -ATOM 3774 C LEU B 124 29.859 59.048 6.586 1.00 14.29 C -ATOM 3775 O LEU B 124 29.702 59.226 5.394 1.00 20.26 O -ATOM 3776 CB LEU B 124 27.903 57.731 7.445 1.00 10.60 C -ATOM 3777 CG LEU B 124 26.979 57.641 6.209 1.00 20.56 C -ATOM 3778 CD1 LEU B 124 25.547 57.180 6.558 1.00 17.46 C -ATOM 3779 CD2 LEU B 124 26.898 59.032 5.612 1.00 28.61 C -ATOM 3780 N GLN B 125 30.432 59.970 7.360 1.00 18.57 N -ATOM 3781 CA GLN B 125 30.872 61.227 6.759 1.00 20.30 C -ATOM 3782 C GLN B 125 32.277 61.071 6.209 1.00 16.47 C -ATOM 3783 O GLN B 125 32.545 61.484 5.080 1.00 24.07 O -ATOM 3784 CB GLN B 125 30.843 62.376 7.787 1.00 19.67 C -ATOM 3785 CG GLN B 125 30.854 63.805 7.135 1.00 37.57 C -ATOM 3786 CD GLN B 125 32.149 64.214 6.380 1.00 39.27 C -ATOM 3787 OE1 GLN B 125 32.143 64.407 5.158 1.00 49.89 O -ATOM 3788 NE2 GLN B 125 33.246 64.361 7.114 1.00 35.42 N -ATOM 3789 N VAL B 126 33.175 60.504 7.000 1.00 6.00 N -ATOM 3790 CA VAL B 126 34.537 60.277 6.538 1.00 8.95 C -ATOM 3791 C VAL B 126 34.529 59.417 5.202 1.00 15.59 C -ATOM 3792 O VAL B 126 35.297 59.712 4.276 1.00 20.00 O -ATOM 3793 CB VAL B 126 35.380 59.550 7.721 1.00 8.30 C -ATOM 3794 CG1 VAL B 126 34.905 58.180 7.894 1.00 15.07 C -ATOM 3795 CG2 VAL B 126 36.873 59.493 7.417 1.00 7.72 C -ATOM 3796 N THR B 127 33.644 58.404 5.088 1.00 19.23 N -ATOM 3797 CA THR B 127 33.524 57.507 3.918 1.00 15.40 C -ATOM 3798 C THR B 127 32.979 58.201 2.645 1.00 16.94 C -ATOM 3799 O THR B 127 33.559 58.063 1.576 1.00 19.91 O -ATOM 3800 CB THR B 127 32.610 56.314 4.253 1.00 24.38 C -ATOM 3801 OG1 THR B 127 33.053 55.680 5.450 1.00 31.04 O -ATOM 3802 CG2 THR B 127 32.682 55.284 3.172 1.00 23.17 C -ATOM 3803 N SER B 128 31.845 58.894 2.750 1.00 10.80 N -ATOM 3804 CA SER B 128 31.315 59.674 1.655 1.00 7.58 C -ATOM 3805 C SER B 128 32.423 60.618 1.070 1.00 12.15 C -ATOM 3806 O SER B 128 32.607 60.720 -0.158 1.00 8.04 O -ATOM 3807 CB SER B 128 30.150 60.476 2.167 1.00 7.96 C -ATOM 3808 OG SER B 128 29.043 59.650 2.485 1.00 6.00 O -ATOM 3809 N GLU B 129 33.206 61.266 1.927 1.00 11.45 N -ATOM 3810 CA GLU B 129 34.292 62.120 1.433 1.00 11.66 C -ATOM 3811 C GLU B 129 35.148 61.257 0.502 1.00 11.95 C -ATOM 3812 O GLU B 129 35.290 61.536 -0.678 1.00 24.96 O -ATOM 3813 CB GLU B 129 35.167 62.635 2.591 1.00 6.00 C -ATOM 3814 CG GLU B 129 35.610 64.074 2.373 1.00 23.00 C -ATOM 3815 CD GLU B 129 36.908 64.446 3.091 1.00 20.21 C -ATOM 3816 OE1 GLU B 129 36.893 64.789 4.286 1.00 31.85 O -ATOM 3817 OE2 GLU B 129 37.975 64.394 2.452 1.00 27.65 O -ATOM 3818 N LYS B 130 35.689 60.177 1.048 1.00 16.14 N -ATOM 3819 CA LYS B 130 36.500 59.203 0.321 1.00 14.93 C -ATOM 3820 C LYS B 130 35.835 58.836 -1.036 1.00 14.28 C -ATOM 3821 O LYS B 130 36.557 58.632 -2.001 1.00 11.83 O -ATOM 3822 CB LYS B 130 36.679 57.962 1.231 1.00 16.37 C -ATOM 3823 CG LYS B 130 37.362 56.738 0.607 1.00 19.85 C -ATOM 3824 CD LYS B 130 38.604 56.245 1.372 1.00 21.79 C -ATOM 3825 CE LYS B 130 39.044 54.827 0.869 1.00 21.85 C -ATOM 3826 NZ LYS B 130 40.374 54.326 1.362 1.00 21.02 N -ATOM 3827 N VAL B 131 34.504 58.722 -1.147 1.00 6.00 N -ATOM 3828 CA VAL B 131 33.939 58.472 -2.470 1.00 11.08 C -ATOM 3829 C VAL B 131 34.271 59.690 -3.361 1.00 10.79 C -ATOM 3830 O VAL B 131 34.871 59.550 -4.417 1.00 20.71 O -ATOM 3831 CB VAL B 131 32.384 58.300 -2.432 1.00 16.43 C -ATOM 3832 CG1 VAL B 131 31.804 58.196 -3.843 1.00 6.00 C -ATOM 3833 CG2 VAL B 131 32.042 57.038 -1.676 1.00 22.52 C -ATOM 3834 N GLY B 132 33.937 60.888 -2.902 1.00 12.82 N -ATOM 3835 CA GLY B 132 34.188 62.114 -3.661 1.00 15.93 C -ATOM 3836 C GLY B 132 35.634 62.332 -4.073 1.00 17.35 C -ATOM 3837 O GLY B 132 35.883 62.873 -5.145 1.00 25.45 O -ATOM 3838 N ASN B 133 36.597 61.971 -3.240 1.00 6.00 N -ATOM 3839 CA ASN B 133 37.972 62.101 -3.636 1.00 6.00 C -ATOM 3840 C ASN B 133 38.319 61.114 -4.754 1.00 10.86 C -ATOM 3841 O ASN B 133 39.092 61.416 -5.648 1.00 26.23 O -ATOM 3842 CB ASN B 133 38.888 61.825 -2.467 1.00 15.42 C -ATOM 3843 CG ASN B 133 38.730 62.820 -1.357 1.00 25.45 C -ATOM 3844 OD1 ASN B 133 37.754 63.590 -1.328 1.00 34.73 O -ATOM 3845 ND2 ASN B 133 39.691 62.820 -0.424 1.00 20.65 N -ATOM 3846 N LEU B 134 37.789 59.904 -4.678 1.00 14.24 N -ATOM 3847 CA LEU B 134 38.072 58.891 -5.658 1.00 8.73 C -ATOM 3848 C LEU B 134 37.540 59.307 -6.984 1.00 15.86 C -ATOM 3849 O LEU B 134 38.081 58.944 -8.014 1.00 17.35 O -ATOM 3850 CB LEU B 134 37.429 57.578 -5.255 1.00 17.51 C -ATOM 3851 CG LEU B 134 38.083 56.840 -4.100 1.00 8.07 C -ATOM 3852 CD1 LEU B 134 37.243 55.649 -3.672 1.00 11.18 C -ATOM 3853 CD2 LEU B 134 39.427 56.402 -4.546 1.00 12.76 C -ATOM 3854 N ALA B 135 36.486 60.101 -6.965 1.00 6.03 N -ATOM 3855 CA ALA B 135 35.852 60.491 -8.198 1.00 12.61 C -ATOM 3856 C ALA B 135 36.146 61.897 -8.755 1.00 14.83 C -ATOM 3857 O ALA B 135 35.803 62.150 -9.922 1.00 11.33 O -ATOM 3858 CB ALA B 135 34.377 60.337 -8.022 1.00 12.38 C -ATOM 3859 N PHE B 136 36.716 62.801 -7.957 1.00 11.80 N -ATOM 3860 CA PHE B 136 36.961 64.184 -8.384 1.00 18.03 C -ATOM 3861 C PHE B 136 38.460 64.559 -8.507 1.00 20.12 C -ATOM 3862 O PHE B 136 38.845 65.383 -9.340 1.00 26.36 O -ATOM 3863 CB PHE B 136 36.297 65.172 -7.390 1.00 10.56 C -ATOM 3864 CG PHE B 136 34.769 65.186 -7.404 1.00 19.16 C -ATOM 3865 CD1 PHE B 136 34.038 64.808 -8.531 1.00 15.55 C -ATOM 3866 CD2 PHE B 136 34.069 65.603 -6.278 1.00 8.01 C -ATOM 3867 CE1 PHE B 136 32.633 64.847 -8.532 1.00 21.46 C -ATOM 3868 CE2 PHE B 136 32.700 65.641 -6.278 1.00 16.09 C -ATOM 3869 CZ PHE B 136 31.968 65.261 -7.416 1.00 15.36 C -ATOM 3870 N LEU B 137 39.276 63.989 -7.634 1.00 12.22 N -ATOM 3871 CA LEU B 137 40.702 64.241 -7.543 1.00 15.52 C -ATOM 3872 C LEU B 137 41.508 63.185 -8.305 1.00 18.41 C -ATOM 3873 O LEU B 137 41.146 62.006 -8.312 1.00 23.05 O -ATOM 3874 CB LEU B 137 41.104 64.244 -6.055 1.00 18.00 C -ATOM 3875 CG LEU B 137 40.643 65.305 -5.042 1.00 13.34 C -ATOM 3876 CD1 LEU B 137 39.145 65.354 -4.903 1.00 20.49 C -ATOM 3877 CD2 LEU B 137 41.215 64.948 -3.727 1.00 16.84 C -ATOM 3878 N ASP B 138 42.584 63.577 -8.970 1.00 22.68 N -ATOM 3879 CA ASP B 138 43.387 62.577 -9.636 1.00 22.09 C -ATOM 3880 C ASP B 138 44.246 61.970 -8.544 1.00 25.28 C -ATOM 3881 O ASP B 138 44.199 62.453 -7.414 1.00 36.18 O -ATOM 3882 CB ASP B 138 44.219 63.250 -10.731 1.00 28.70 C -ATOM 3883 CG ASP B 138 45.076 64.429 -10.232 1.00 37.04 C -ATOM 3884 OD1 ASP B 138 45.119 64.716 -8.994 1.00 34.49 O -ATOM 3885 OD2 ASP B 138 45.714 65.068 -11.122 1.00 29.88 O -ATOM 3886 N VAL B 139 45.057 60.958 -8.811 1.00 24.71 N -ATOM 3887 CA VAL B 139 45.800 60.372 -7.694 1.00 21.17 C -ATOM 3888 C VAL B 139 46.641 61.350 -6.907 1.00 19.93 C -ATOM 3889 O VAL B 139 46.610 61.356 -5.677 1.00 24.54 O -ATOM 3890 CB VAL B 139 46.744 59.261 -8.151 1.00 17.54 C -ATOM 3891 CG1 VAL B 139 47.612 59.765 -9.247 1.00 20.87 C -ATOM 3892 CG2 VAL B 139 47.635 58.818 -6.997 1.00 21.72 C -ATOM 3893 N THR B 140 47.378 62.182 -7.606 1.00 15.47 N -ATOM 3894 CA THR B 140 48.290 63.094 -6.948 1.00 23.09 C -ATOM 3895 C THR B 140 47.601 63.827 -5.830 1.00 23.55 C -ATOM 3896 O THR B 140 48.171 64.024 -4.763 1.00 32.52 O -ATOM 3897 CB THR B 140 48.830 64.122 -7.930 1.00 36.35 C -ATOM 3898 OG1 THR B 140 49.309 63.447 -9.099 1.00 49.26 O -ATOM 3899 CG2 THR B 140 49.975 64.901 -7.312 1.00 37.86 C -ATOM 3900 N GLY B 141 46.350 64.191 -6.075 1.00 28.77 N -ATOM 3901 CA GLY B 141 45.581 64.957 -5.103 1.00 31.58 C -ATOM 3902 C GLY B 141 45.141 64.130 -3.924 1.00 31.19 C -ATOM 3903 O GLY B 141 45.248 64.560 -2.763 1.00 37.76 O -ATOM 3904 N ARG B 142 44.603 62.956 -4.223 1.00 31.85 N -ATOM 3905 CA ARG B 142 44.211 62.081 -3.157 1.00 25.46 C -ATOM 3906 C ARG B 142 45.450 61.869 -2.261 1.00 25.68 C -ATOM 3907 O ARG B 142 45.363 62.027 -1.069 1.00 27.72 O -ATOM 3908 CB ARG B 142 43.722 60.763 -3.742 1.00 22.37 C -ATOM 3909 CG ARG B 142 42.500 60.883 -4.651 1.00 26.83 C -ATOM 3910 CD ARG B 142 41.977 59.512 -5.169 1.00 23.63 C -ATOM 3911 NE ARG B 142 42.940 58.803 -6.021 1.00 25.58 N -ATOM 3912 CZ ARG B 142 42.659 57.742 -6.776 1.00 26.34 C -ATOM 3913 NH1 ARG B 142 41.441 57.241 -6.792 1.00 34.31 N -ATOM 3914 NH2 ARG B 142 43.585 57.196 -7.543 1.00 19.41 N -ATOM 3915 N ILE B 143 46.626 61.591 -2.804 1.00 26.20 N -ATOM 3916 CA ILE B 143 47.767 61.371 -1.927 1.00 22.59 C -ATOM 3917 C ILE B 143 48.079 62.556 -1.008 1.00 26.27 C -ATOM 3918 O ILE B 143 48.538 62.353 0.115 1.00 26.91 O -ATOM 3919 CB ILE B 143 49.051 61.046 -2.743 1.00 22.51 C -ATOM 3920 CG1 ILE B 143 48.902 59.687 -3.421 1.00 15.96 C -ATOM 3921 CG2 ILE B 143 50.274 60.991 -1.812 1.00 22.73 C -ATOM 3922 CD1 ILE B 143 50.195 59.206 -4.005 1.00 22.99 C -ATOM 3923 N ALA B 144 47.855 63.789 -1.445 1.00 26.86 N -ATOM 3924 CA ALA B 144 48.167 64.906 -0.564 1.00 30.91 C -ATOM 3925 C ALA B 144 47.135 65.015 0.571 1.00 33.44 C -ATOM 3926 O ALA B 144 47.458 65.510 1.658 1.00 31.27 O -ATOM 3927 CB ALA B 144 48.207 66.195 -1.368 1.00 31.26 C -ATOM 3928 N GLN B 145 45.893 64.597 0.321 1.00 26.00 N -ATOM 3929 CA GLN B 145 44.905 64.565 1.390 1.00 28.49 C -ATOM 3930 C GLN B 145 45.285 63.446 2.373 1.00 32.20 C -ATOM 3931 O GLN B 145 45.200 63.601 3.600 1.00 35.21 O -ATOM 3932 CB GLN B 145 43.509 64.298 0.828 1.00 33.11 C -ATOM 3933 CG GLN B 145 42.873 65.530 0.117 1.00 39.62 C -ATOM 3934 CD GLN B 145 41.639 66.075 0.844 1.00 39.15 C -ATOM 3935 OE1 GLN B 145 41.691 66.411 2.036 1.00 35.62 O -ATOM 3936 NE2 GLN B 145 40.515 66.150 0.123 1.00 48.64 N -ATOM 3937 N THR B 146 45.706 62.307 1.838 1.00 31.18 N -ATOM 3938 CA THR B 146 46.137 61.186 2.663 1.00 25.08 C -ATOM 3939 C THR B 146 47.327 61.604 3.537 1.00 24.65 C -ATOM 3940 O THR B 146 47.277 61.392 4.750 1.00 22.06 O -ATOM 3941 CB THR B 146 46.500 60.021 1.735 1.00 16.96 C -ATOM 3942 OG1 THR B 146 45.279 59.522 1.188 1.00 14.17 O -ATOM 3943 CG2 THR B 146 47.273 58.931 2.452 1.00 24.20 C -ATOM 3944 N LEU B 147 48.358 62.221 2.936 1.00 21.29 N -ATOM 3945 CA LEU B 147 49.525 62.693 3.678 1.00 23.74 C -ATOM 3946 C LEU B 147 49.137 63.771 4.687 1.00 26.49 C -ATOM 3947 O LEU B 147 49.794 63.955 5.719 1.00 32.72 O -ATOM 3948 CB LEU B 147 50.582 63.227 2.706 1.00 30.23 C -ATOM 3949 CG LEU B 147 51.070 62.103 1.774 1.00 32.85 C -ATOM 3950 CD1 LEU B 147 52.528 62.339 1.401 1.00 25.47 C -ATOM 3951 CD2 LEU B 147 50.994 60.760 2.493 1.00 31.35 C -ATOM 3952 N LEU B 148 48.045 64.580 4.591 1.00 30.37 N -ATOM 3953 CA LEU B 148 47.562 65.608 5.485 1.00 33.47 C -ATOM 3954 C LEU B 148 46.823 64.850 6.610 1.00 30.49 C -ATOM 3955 O LEU B 148 47.376 64.706 7.697 1.00 29.91 O -ATOM 3956 CB LEU B 148 46.619 66.555 4.722 1.00 35.58 C -ATOM 3957 CG LEU B 148 47.059 68.031 4.696 1.00 43.84 C -ATOM 3958 CD1 LEU B 148 48.463 68.129 4.098 1.00 43.67 C -ATOM 3959 CD2 LEU B 148 46.048 68.862 3.895 1.00 37.67 C -ATOM 3960 N ASN B 149 45.649 64.280 6.298 1.00 29.34 N -ATOM 3961 CA ASN B 149 44.803 63.477 7.202 1.00 30.43 C -ATOM 3962 C ASN B 149 45.559 62.391 7.989 1.00 36.59 C -ATOM 3963 O ASN B 149 45.274 62.183 9.182 1.00 44.05 O -ATOM 3964 CB ASN B 149 43.657 62.803 6.404 1.00 43.77 C -ATOM 3965 CG ASN B 149 42.532 63.796 5.972 1.00 50.50 C -ATOM 3966 OD1 ASN B 149 41.773 64.313 6.807 1.00 54.81 O -ATOM 3967 ND2 ASN B 149 42.420 64.045 4.665 1.00 44.07 N -ATOM 3968 N LEU B 150 46.500 61.686 7.368 1.00 28.20 N -ATOM 3969 CA LEU B 150 47.252 60.701 8.124 1.00 29.00 C -ATOM 3970 C LEU B 150 48.101 61.383 9.160 1.00 30.94 C -ATOM 3971 O LEU B 150 48.020 61.119 10.362 1.00 33.30 O -ATOM 3972 CB LEU B 150 48.197 59.900 7.237 1.00 30.48 C -ATOM 3973 CG LEU B 150 47.712 58.822 6.268 1.00 32.55 C -ATOM 3974 CD1 LEU B 150 48.860 58.436 5.328 1.00 25.04 C -ATOM 3975 CD2 LEU B 150 47.206 57.619 7.068 1.00 33.40 C -ATOM 3976 N ALA B 151 48.945 62.260 8.640 1.00 35.89 N -ATOM 3977 CA ALA B 151 49.911 62.994 9.425 1.00 38.49 C -ATOM 3978 C ALA B 151 49.263 63.982 10.393 1.00 38.55 C -ATOM 3979 O ALA B 151 49.517 65.171 10.334 1.00 35.91 O -ATOM 3980 CB ALA B 151 50.849 63.716 8.469 1.00 37.11 C -ATOM 3981 N LYS B 152 48.456 63.474 11.311 1.00 39.55 N -ATOM 3982 CA LYS B 152 47.762 64.290 12.310 1.00 39.82 C -ATOM 3983 C LYS B 152 47.097 63.343 13.328 1.00 45.40 C -ATOM 3984 O LYS B 152 47.347 63.475 14.534 1.00 50.61 O -ATOM 3985 CB LYS B 152 46.696 65.171 11.637 1.00 44.12 C -ATOM 3986 CG LYS B 152 45.904 66.075 12.594 1.00 48.42 C -ATOM 3987 CD LYS B 152 44.689 66.680 11.891 1.00 51.82 C -ATOM 3988 CE LYS B 152 43.669 67.278 12.877 1.00 52.07 C -ATOM 3989 NZ LYS B 152 44.139 68.422 13.702 1.00 40.63 N -ATOM 3990 N GLN B 153 46.273 62.400 12.850 1.00 45.18 N -ATOM 3991 CA GLN B 153 45.621 61.377 13.690 1.00 44.36 C -ATOM 3992 C GLN B 153 46.688 60.682 14.582 1.00 46.16 C -ATOM 3993 O GLN B 153 47.806 60.444 14.116 1.00 51.06 O -ATOM 3994 CB GLN B 153 44.957 60.339 12.782 1.00 45.12 C -ATOM 3995 CG GLN B 153 44.263 59.139 13.463 1.00 44.46 C -ATOM 3996 CD GLN B 153 43.840 58.040 12.459 1.00 42.69 C -ATOM 3997 OE1 GLN B 153 44.689 57.485 11.756 1.00 36.97 O -ATOM 3998 NE2 GLN B 153 42.536 57.732 12.394 1.00 37.00 N -ATOM 3999 N PRO B 154 46.375 60.349 15.856 1.00 44.48 N -ATOM 4000 CA PRO B 154 47.330 59.796 16.833 1.00 45.29 C -ATOM 4001 C PRO B 154 48.086 58.512 16.433 1.00 48.40 C -ATOM 4002 O PRO B 154 47.643 57.383 16.624 1.00 51.99 O -ATOM 4003 CB PRO B 154 46.486 59.655 18.092 1.00 50.13 C -ATOM 4004 CG PRO B 154 45.624 60.875 18.000 1.00 55.00 C -ATOM 4005 CD PRO B 154 45.092 60.628 16.568 1.00 47.81 C -ATOM 4006 N ASP B 155 49.271 58.836 15.919 1.00 47.86 N -ATOM 4007 CA ASP B 155 50.307 57.924 15.422 1.00 48.66 C -ATOM 4008 C ASP B 155 51.511 58.767 15.104 1.00 49.94 C -ATOM 4009 O ASP B 155 52.688 58.380 15.158 1.00 45.02 O -ATOM 4010 CB ASP B 155 49.861 57.155 14.123 1.00 55.00 C -ATOM 4011 CG ASP B 155 50.571 57.591 12.799 1.00 54.97 C -ATOM 4012 OD1 ASP B 155 51.786 57.298 12.542 1.00 44.54 O -ATOM 4013 OD2 ASP B 155 49.881 58.230 11.960 1.00 44.54 O -ATOM 4014 N ALA B 156 51.065 59.955 14.702 1.00 54.47 N -ATOM 4015 CA ALA B 156 51.808 61.123 14.319 1.00 55.00 C -ATOM 4016 C ALA B 156 52.422 61.689 15.583 1.00 55.00 C -ATOM 4017 O ALA B 156 51.773 61.763 16.654 1.00 53.46 O -ATOM 4018 CB ALA B 156 50.866 62.140 13.676 1.00 51.25 C -ATOM 4019 N MET B 157 53.699 62.030 15.458 1.00 55.00 N -ATOM 4020 CA MET B 157 54.425 62.628 16.543 1.00 55.00 C -ATOM 4021 C MET B 157 55.127 63.893 16.017 1.00 55.00 C -ATOM 4022 O MET B 157 55.805 63.932 14.963 1.00 48.49 O -ATOM 4023 CB MET B 157 55.408 61.583 17.129 1.00 53.29 C -ATOM 4024 CG MET B 157 56.129 60.751 16.143 1.00 48.98 C -ATOM 4025 SD MET B 157 57.179 61.862 15.329 1.00 51.78 S -ATOM 4026 CE MET B 157 58.818 61.278 16.015 1.00 52.50 C -ATOM 4027 N THR B 158 54.837 64.933 16.804 1.00 55.00 N -ATOM 4028 CA THR B 158 55.202 66.330 16.660 1.00 53.39 C -ATOM 4029 C THR B 158 56.591 66.580 16.122 1.00 48.24 C -ATOM 4030 O THR B 158 57.573 66.618 16.859 1.00 49.13 O -ATOM 4031 CB THR B 158 55.025 67.036 18.043 1.00 50.88 C -ATOM 4032 OG1 THR B 158 55.915 66.474 19.026 1.00 55.00 O -ATOM 4033 CG2 THR B 158 53.585 66.830 18.536 1.00 53.52 C -ATOM 4034 N HIS B 159 56.673 66.718 14.810 1.00 44.88 N -ATOM 4035 CA HIS B 159 57.934 67.045 14.200 1.00 43.77 C -ATOM 4036 C HIS B 159 58.139 68.524 14.441 1.00 46.40 C -ATOM 4037 O HIS B 159 57.165 69.284 14.555 1.00 40.91 O -ATOM 4038 CB HIS B 159 57.866 66.743 12.726 1.00 46.27 C -ATOM 4039 CG HIS B 159 59.066 67.176 11.945 1.00 55.00 C -ATOM 4040 ND1 HIS B 159 59.009 68.169 10.989 1.00 53.65 N -ATOM 4041 CD2 HIS B 159 60.344 66.723 11.944 1.00 55.00 C -ATOM 4042 CE1 HIS B 159 60.197 68.309 10.429 1.00 54.98 C -ATOM 4043 NE2 HIS B 159 61.025 67.444 10.990 1.00 55.00 N -ATOM 4044 N PRO B 160 59.399 68.952 14.550 1.00 44.57 N -ATOM 4045 CA PRO B 160 59.632 70.383 14.673 1.00 46.27 C -ATOM 4046 C PRO B 160 58.796 71.180 13.693 1.00 47.62 C -ATOM 4047 O PRO B 160 57.881 71.903 14.096 1.00 42.67 O -ATOM 4048 CB PRO B 160 61.154 70.500 14.484 1.00 49.93 C -ATOM 4049 CG PRO B 160 61.561 69.150 13.850 1.00 44.48 C -ATOM 4050 CD PRO B 160 60.694 68.242 14.655 1.00 45.18 C -ATOM 4051 N ASP B 161 59.066 70.972 12.411 1.00 47.88 N -ATOM 4052 CA ASP B 161 58.380 71.698 11.349 1.00 51.76 C -ATOM 4053 C ASP B 161 57.628 70.797 10.384 1.00 48.81 C -ATOM 4054 O ASP B 161 58.151 70.392 9.354 1.00 50.04 O -ATOM 4055 CB ASP B 161 59.406 72.557 10.585 1.00 53.23 C -ATOM 4056 CG ASP B 161 60.731 71.835 10.313 1.00 54.50 C -ATOM 4057 OD1 ASP B 161 61.110 70.922 11.084 1.00 55.00 O -ATOM 4058 OD2 ASP B 161 61.413 72.204 9.327 1.00 46.76 O -ATOM 4059 N GLY B 162 56.383 70.510 10.753 1.00 51.92 N -ATOM 4060 CA GLY B 162 55.512 69.638 9.978 1.00 55.00 C -ATOM 4061 C GLY B 162 55.595 68.232 10.546 1.00 53.21 C -ATOM 4062 O GLY B 162 56.650 67.598 10.457 1.00 54.57 O -ATOM 4063 N MET B 163 54.503 67.717 11.099 1.00 49.86 N -ATOM 4064 CA MET B 163 54.551 66.403 11.744 1.00 52.68 C -ATOM 4065 C MET B 163 55.250 65.317 10.867 1.00 47.70 C -ATOM 4066 O MET B 163 55.523 65.524 9.678 1.00 48.63 O -ATOM 4067 CB MET B 163 53.094 66.005 12.107 1.00 55.00 C -ATOM 4068 CG MET B 163 52.847 65.613 13.614 1.00 55.00 C -ATOM 4069 SD MET B 163 51.658 66.625 14.644 1.00 55.00 S -ATOM 4070 CE MET B 163 50.143 65.568 14.809 1.00 46.43 C -ATOM 4071 N GLN B 164 55.587 64.186 11.483 1.00 45.05 N -ATOM 4072 CA GLN B 164 56.250 63.059 10.807 1.00 43.95 C -ATOM 4073 C GLN B 164 55.277 61.874 10.714 1.00 38.80 C -ATOM 4074 O GLN B 164 54.162 61.981 11.192 1.00 38.75 O -ATOM 4075 CB GLN B 164 57.496 62.639 11.615 1.00 48.68 C -ATOM 4076 CG GLN B 164 58.425 61.637 10.902 1.00 53.71 C -ATOM 4077 CD GLN B 164 59.448 60.940 11.809 1.00 55.00 C -ATOM 4078 OE1 GLN B 164 59.585 59.718 11.753 1.00 55.00 O -ATOM 4079 NE2 GLN B 164 60.168 61.701 12.630 1.00 54.88 N -ATOM 4080 N ILE B 165 55.668 60.766 10.087 1.00 39.47 N -ATOM 4081 CA ILE B 165 54.848 59.541 10.067 1.00 38.70 C -ATOM 4082 C ILE B 165 55.505 58.363 9.356 1.00 42.11 C -ATOM 4083 O ILE B 165 56.317 58.519 8.432 1.00 40.68 O -ATOM 4084 CB ILE B 165 53.459 59.695 9.359 1.00 37.04 C -ATOM 4085 CG1 ILE B 165 53.525 60.791 8.302 1.00 38.07 C -ATOM 4086 CG2 ILE B 165 52.397 59.929 10.390 1.00 31.08 C -ATOM 4087 CD1 ILE B 165 52.279 60.817 7.436 1.00 33.42 C -ATOM 4088 N LYS B 166 55.144 57.160 9.798 1.00 43.75 N -ATOM 4089 CA LYS B 166 55.686 55.965 9.170 1.00 47.50 C -ATOM 4090 C LYS B 166 54.650 55.228 8.317 1.00 44.84 C -ATOM 4091 O LYS B 166 53.716 54.611 8.843 1.00 50.95 O -ATOM 4092 CB LYS B 166 56.245 55.005 10.245 1.00 47.59 C -ATOM 4093 CG LYS B 166 57.686 55.344 10.697 1.00 49.51 C -ATOM 4094 CD LYS B 166 58.351 54.263 11.567 1.00 46.92 C -ATOM 4095 CE LYS B 166 59.844 54.562 11.843 1.00 45.09 C -ATOM 4096 NZ LYS B 166 60.114 55.861 12.545 1.00 42.81 N -ATOM 4097 N ILE B 167 54.787 55.324 6.996 1.00 42.84 N -ATOM 4098 CA ILE B 167 53.883 54.597 6.088 1.00 37.44 C -ATOM 4099 C ILE B 167 54.693 54.168 4.864 1.00 33.72 C -ATOM 4100 O ILE B 167 55.668 54.814 4.513 1.00 28.89 O -ATOM 4101 CB ILE B 167 52.654 55.497 5.634 1.00 28.54 C -ATOM 4102 CG1 ILE B 167 51.650 54.670 4.830 1.00 16.11 C -ATOM 4103 CG2 ILE B 167 53.118 56.624 4.818 1.00 23.25 C -ATOM 4104 CD1 ILE B 167 50.659 53.871 5.696 1.00 18.41 C -ATOM 4105 N THR B 168 54.336 53.032 4.283 1.00 30.38 N -ATOM 4106 CA THR B 168 55.007 52.518 3.096 1.00 29.20 C -ATOM 4107 C THR B 168 54.283 53.040 1.879 1.00 28.14 C -ATOM 4108 O THR B 168 53.057 53.222 1.946 1.00 29.74 O -ATOM 4109 CB THR B 168 54.975 50.942 3.031 1.00 34.90 C -ATOM 4110 OG1 THR B 168 53.696 50.484 3.520 1.00 38.08 O -ATOM 4111 CG2 THR B 168 56.127 50.314 3.840 1.00 31.41 C -ATOM 4112 N ARG B 169 54.996 53.268 0.773 1.00 18.87 N -ATOM 4113 CA ARG B 169 54.295 53.668 -0.445 1.00 15.33 C -ATOM 4114 C ARG B 169 53.244 52.570 -0.811 1.00 17.77 C -ATOM 4115 O ARG B 169 52.151 52.828 -1.386 1.00 16.18 O -ATOM 4116 CB ARG B 169 55.295 53.852 -1.577 1.00 16.77 C -ATOM 4117 CG ARG B 169 56.111 55.106 -1.384 1.00 29.63 C -ATOM 4118 CD ARG B 169 57.513 54.870 -0.805 1.00 36.28 C -ATOM 4119 NE ARG B 169 58.067 56.128 -0.303 1.00 41.15 N -ATOM 4120 CZ ARG B 169 59.200 56.238 0.379 1.00 44.31 C -ATOM 4121 NH1 ARG B 169 59.920 55.159 0.635 1.00 44.60 N -ATOM 4122 NH2 ARG B 169 59.588 57.419 0.850 1.00 43.74 N -ATOM 4123 N GLN B 170 53.574 51.340 -0.424 1.00 12.48 N -ATOM 4124 CA GLN B 170 52.676 50.217 -0.597 1.00 13.36 C -ATOM 4125 C GLN B 170 51.343 50.597 0.016 1.00 16.41 C -ATOM 4126 O GLN B 170 50.290 50.573 -0.660 1.00 29.23 O -ATOM 4127 CB GLN B 170 53.182 48.947 0.139 1.00 35.91 C -ATOM 4128 CG GLN B 170 54.393 48.133 -0.400 1.00 43.72 C -ATOM 4129 CD GLN B 170 54.011 47.032 -1.403 1.00 48.20 C -ATOM 4130 OE1 GLN B 170 52.829 46.673 -1.560 1.00 46.41 O -ATOM 4131 NE2 GLN B 170 55.022 46.490 -2.083 1.00 40.12 N -ATOM 4132 N GLU B 171 51.400 50.979 1.297 1.00 8.46 N -ATOM 4133 CA GLU B 171 50.146 51.217 2.005 1.00 15.86 C -ATOM 4134 C GLU B 171 49.494 52.503 1.589 1.00 13.80 C -ATOM 4135 O GLU B 171 48.265 52.550 1.483 1.00 13.97 O -ATOM 4136 CB GLU B 171 50.369 51.183 3.557 1.00 25.85 C -ATOM 4137 CG GLU B 171 49.887 49.804 4.204 1.00 28.28 C -ATOM 4138 CD GLU B 171 49.919 49.711 5.761 1.00 32.91 C -ATOM 4139 OE1 GLU B 171 51.027 49.557 6.313 1.00 29.09 O -ATOM 4140 OE2 GLU B 171 48.854 49.779 6.431 1.00 23.53 O -ATOM 4141 N ILE B 172 50.261 53.551 1.341 1.00 12.08 N -ATOM 4142 CA ILE B 172 49.581 54.722 0.807 1.00 20.67 C -ATOM 4143 C ILE B 172 48.809 54.228 -0.436 1.00 19.31 C -ATOM 4144 O ILE B 172 47.630 54.596 -0.614 1.00 15.43 O -ATOM 4145 CB ILE B 172 50.589 55.817 0.411 1.00 12.92 C -ATOM 4146 CG1 ILE B 172 51.058 56.553 1.663 1.00 6.00 C -ATOM 4147 CG2 ILE B 172 49.940 56.812 -0.497 1.00 6.00 C -ATOM 4148 CD1 ILE B 172 52.449 57.085 1.423 1.00 8.92 C -ATOM 4149 N GLY B 173 49.462 53.344 -1.213 1.00 11.07 N -ATOM 4150 CA GLY B 173 48.878 52.730 -2.393 1.00 9.77 C -ATOM 4151 C GLY B 173 47.495 52.089 -2.152 1.00 12.47 C -ATOM 4152 O GLY B 173 46.672 52.043 -3.081 1.00 21.44 O -ATOM 4153 N GLN B 174 47.186 51.591 -0.954 1.00 8.06 N -ATOM 4154 CA GLN B 174 45.877 50.963 -0.764 1.00 6.47 C -ATOM 4155 C GLN B 174 44.845 51.812 -0.097 1.00 9.09 C -ATOM 4156 O GLN B 174 43.764 51.343 0.153 1.00 20.74 O -ATOM 4157 CB GLN B 174 46.039 49.695 0.018 1.00 25.19 C -ATOM 4158 CG GLN B 174 46.862 48.735 -0.771 1.00 35.90 C -ATOM 4159 CD GLN B 174 47.447 47.651 0.075 1.00 39.18 C -ATOM 4160 OE1 GLN B 174 47.793 47.877 1.241 1.00 42.67 O -ATOM 4161 NE2 GLN B 174 47.576 46.461 -0.501 1.00 39.84 N -ATOM 4162 N ILE B 175 45.187 53.061 0.190 1.00 22.90 N -ATOM 4163 CA ILE B 175 44.270 54.054 0.761 1.00 23.85 C -ATOM 4164 C ILE B 175 43.796 54.894 -0.417 1.00 18.76 C -ATOM 4165 O ILE B 175 42.598 55.052 -0.649 1.00 21.28 O -ATOM 4166 CB ILE B 175 44.998 54.997 1.823 1.00 25.26 C -ATOM 4167 CG1 ILE B 175 45.595 54.171 2.949 1.00 19.72 C -ATOM 4168 CG2 ILE B 175 43.989 55.933 2.494 1.00 18.98 C -ATOM 4169 CD1 ILE B 175 46.489 54.943 3.821 1.00 22.33 C -ATOM 4170 N VAL B 176 44.777 55.441 -1.133 1.00 9.21 N -ATOM 4171 CA VAL B 176 44.559 56.259 -2.310 1.00 12.86 C -ATOM 4172 C VAL B 176 44.077 55.399 -3.489 1.00 18.75 C -ATOM 4173 O VAL B 176 43.288 55.872 -4.328 1.00 28.75 O -ATOM 4174 CB VAL B 176 45.888 57.017 -2.672 1.00 26.09 C -ATOM 4175 CG1 VAL B 176 45.826 57.599 -4.060 1.00 33.40 C -ATOM 4176 CG2 VAL B 176 46.070 58.211 -1.734 1.00 28.55 C -ATOM 4177 N GLY B 177 44.532 54.150 -3.573 1.00 21.80 N -ATOM 4178 CA GLY B 177 44.062 53.269 -4.640 1.00 20.39 C -ATOM 4179 C GLY B 177 44.802 53.414 -5.959 1.00 24.52 C -ATOM 4180 O GLY B 177 44.238 53.710 -7.033 1.00 28.43 O -ATOM 4181 N CYS B 178 46.100 53.196 -5.876 1.00 17.13 N -ATOM 4182 CA CYS B 178 46.941 53.247 -7.025 1.00 21.82 C -ATOM 4183 C CYS B 178 48.079 52.322 -6.611 1.00 25.70 C -ATOM 4184 O CYS B 178 47.865 51.536 -5.692 1.00 31.95 O -ATOM 4185 CB CYS B 178 47.374 54.700 -7.257 1.00 20.48 C -ATOM 4186 SG CYS B 178 48.599 55.276 -6.141 1.00 16.84 S -ATOM 4187 N SER B 179 49.274 52.375 -7.183 1.00 31.13 N -ATOM 4188 CA SER B 179 50.249 51.371 -6.769 1.00 30.74 C -ATOM 4189 C SER B 179 51.648 51.912 -6.408 1.00 31.06 C -ATOM 4190 O SER B 179 52.104 52.909 -6.958 1.00 33.30 O -ATOM 4191 CB SER B 179 50.335 50.352 -7.888 1.00 21.67 C -ATOM 4192 OG SER B 179 50.587 51.073 -9.080 1.00 22.31 O -ATOM 4193 N ARG B 180 52.311 51.200 -5.485 1.00 21.65 N -ATOM 4194 CA ARG B 180 53.624 51.517 -4.925 1.00 18.58 C -ATOM 4195 C ARG B 180 54.494 52.367 -5.803 1.00 19.51 C -ATOM 4196 O ARG B 180 55.089 53.320 -5.305 1.00 26.75 O -ATOM 4197 CB ARG B 180 54.391 50.229 -4.595 1.00 25.48 C -ATOM 4198 CG ARG B 180 55.896 50.358 -4.189 1.00 25.36 C -ATOM 4199 CD ARG B 180 56.785 49.704 -5.263 1.00 28.95 C -ATOM 4200 NE ARG B 180 56.224 48.398 -5.644 1.00 31.11 N -ATOM 4201 CZ ARG B 180 56.695 47.602 -6.603 1.00 36.39 C -ATOM 4202 NH1 ARG B 180 57.763 47.956 -7.321 1.00 34.17 N -ATOM 4203 NH2 ARG B 180 56.097 46.437 -6.831 1.00 26.47 N -ATOM 4204 N GLU B 181 54.588 52.048 -7.091 1.00 27.47 N -ATOM 4205 CA GLU B 181 55.482 52.837 -7.896 1.00 30.69 C -ATOM 4206 C GLU B 181 54.861 54.168 -8.350 1.00 33.28 C -ATOM 4207 O GLU B 181 55.584 55.175 -8.400 1.00 36.38 O -ATOM 4208 CB GLU B 181 55.959 51.984 -9.092 1.00 33.00 C -ATOM 4209 CG GLU B 181 54.976 51.468 -10.089 1.00 37.12 C -ATOM 4210 CD GLU B 181 54.299 50.183 -9.675 1.00 41.40 C -ATOM 4211 OE1 GLU B 181 54.664 49.109 -10.213 1.00 44.20 O -ATOM 4212 OE2 GLU B 181 53.381 50.262 -8.835 1.00 40.74 O -ATOM 4213 N THR B 182 53.557 54.207 -8.658 1.00 30.41 N -ATOM 4214 CA THR B 182 52.921 55.478 -9.041 1.00 32.58 C -ATOM 4215 C THR B 182 52.899 56.320 -7.775 1.00 34.76 C -ATOM 4216 O THR B 182 53.149 57.522 -7.789 1.00 33.62 O -ATOM 4217 CB THR B 182 51.432 55.359 -9.514 1.00 32.86 C -ATOM 4218 OG1 THR B 182 51.059 53.995 -9.756 1.00 35.48 O -ATOM 4219 CG2 THR B 182 51.263 56.138 -10.807 1.00 35.28 C -ATOM 4220 N VAL B 183 52.569 55.666 -6.669 1.00 41.32 N -ATOM 4221 CA VAL B 183 52.654 56.328 -5.382 1.00 43.36 C -ATOM 4222 C VAL B 183 54.082 56.882 -5.294 1.00 39.20 C -ATOM 4223 O VAL B 183 54.313 57.985 -4.802 1.00 41.26 O -ATOM 4224 CB VAL B 183 52.445 55.343 -4.219 1.00 43.44 C -ATOM 4225 CG1 VAL B 183 52.669 56.085 -2.891 1.00 41.92 C -ATOM 4226 CG2 VAL B 183 51.043 54.732 -4.303 1.00 33.99 C -ATOM 4227 N GLY B 184 55.011 56.073 -5.800 1.00 27.28 N -ATOM 4228 CA GLY B 184 56.416 56.413 -5.845 1.00 25.50 C -ATOM 4229 C GLY B 184 56.670 57.720 -6.566 1.00 31.25 C -ATOM 4230 O GLY B 184 56.583 58.783 -5.962 1.00 34.83 O -ATOM 4231 N ARG B 185 56.953 57.667 -7.858 1.00 34.77 N -ATOM 4232 CA ARG B 185 57.264 58.879 -8.613 1.00 36.70 C -ATOM 4233 C ARG B 185 56.417 60.106 -8.243 1.00 35.62 C -ATOM 4234 O ARG B 185 56.922 61.227 -8.269 1.00 34.08 O -ATOM 4235 CB ARG B 185 57.136 58.558 -10.107 1.00 36.55 C -ATOM 4236 CG ARG B 185 55.874 57.841 -10.518 1.00 35.00 C -ATOM 4237 CD ARG B 185 56.056 57.178 -11.868 1.00 39.34 C -ATOM 4238 NE ARG B 185 54.815 56.566 -12.324 1.00 40.91 N -ATOM 4239 CZ ARG B 185 54.744 55.464 -13.065 1.00 37.15 C -ATOM 4240 NH1 ARG B 185 55.856 54.831 -13.444 1.00 32.13 N -ATOM 4241 NH2 ARG B 185 53.546 55.006 -13.425 1.00 29.06 N -ATOM 4242 N ILE B 186 55.159 59.922 -7.867 1.00 38.86 N -ATOM 4243 CA ILE B 186 54.361 61.075 -7.451 1.00 40.99 C -ATOM 4244 C ILE B 186 54.889 61.692 -6.119 1.00 41.95 C -ATOM 4245 O ILE B 186 55.185 62.886 -6.071 1.00 42.20 O -ATOM 4246 CB ILE B 186 52.847 60.682 -7.244 1.00 47.45 C -ATOM 4247 CG1 ILE B 186 52.233 60.168 -8.561 1.00 40.40 C -ATOM 4248 CG2 ILE B 186 52.073 61.903 -6.740 1.00 49.60 C -ATOM 4249 CD1 ILE B 186 52.207 61.141 -9.731 1.00 47.64 C -ATOM 4250 N LEU B 187 55.038 60.882 -5.065 1.00 38.26 N -ATOM 4251 CA LEU B 187 55.463 61.351 -3.730 1.00 37.04 C -ATOM 4252 C LEU B 187 56.674 62.264 -3.852 1.00 36.26 C -ATOM 4253 O LEU B 187 56.738 63.355 -3.270 1.00 32.95 O -ATOM 4254 CB LEU B 187 55.833 60.151 -2.819 1.00 31.61 C -ATOM 4255 CG LEU B 187 56.004 60.245 -1.292 1.00 24.23 C -ATOM 4256 CD1 LEU B 187 54.754 59.812 -0.610 1.00 18.62 C -ATOM 4257 CD2 LEU B 187 57.038 59.274 -0.814 1.00 29.55 C -ATOM 4258 N LYS B 188 57.635 61.779 -4.625 1.00 35.43 N -ATOM 4259 CA LYS B 188 58.869 62.496 -4.868 1.00 41.66 C -ATOM 4260 C LYS B 188 58.475 63.858 -5.447 1.00 40.97 C -ATOM 4261 O LYS B 188 58.894 64.879 -4.910 1.00 37.09 O -ATOM 4262 CB LYS B 188 59.744 61.702 -5.867 1.00 43.86 C -ATOM 4263 CG LYS B 188 61.249 62.046 -5.919 1.00 40.33 C -ATOM 4264 CD LYS B 188 62.052 61.308 -4.862 1.00 37.47 C -ATOM 4265 CE LYS B 188 61.807 59.787 -4.998 1.00 47.66 C -ATOM 4266 NZ LYS B 188 61.869 59.230 -6.412 1.00 36.95 N -ATOM 4267 N MET B 189 57.638 63.877 -6.492 1.00 40.16 N -ATOM 4268 CA MET B 189 57.172 65.124 -7.106 1.00 38.35 C -ATOM 4269 C MET B 189 56.513 66.071 -6.091 1.00 39.66 C -ATOM 4270 O MET B 189 55.956 67.104 -6.468 1.00 43.90 O -ATOM 4271 CB MET B 189 56.161 64.831 -8.198 1.00 43.69 C -ATOM 4272 CG MET B 189 56.691 63.989 -9.317 1.00 43.93 C -ATOM 4273 SD MET B 189 55.268 63.547 -10.339 1.00 51.99 S -ATOM 4274 CE MET B 189 56.100 63.229 -11.881 1.00 46.57 C -ATOM 4275 N LEU B 190 56.539 65.681 -4.819 1.00 38.63 N -ATOM 4276 CA LEU B 190 56.041 66.456 -3.700 1.00 34.94 C -ATOM 4277 C LEU B 190 57.226 66.995 -2.959 1.00 33.73 C -ATOM 4278 O LEU B 190 57.230 68.144 -2.554 1.00 31.32 O -ATOM 4279 CB LEU B 190 55.235 65.581 -2.770 1.00 32.64 C -ATOM 4280 CG LEU B 190 54.063 65.045 -3.569 1.00 35.13 C -ATOM 4281 CD1 LEU B 190 53.464 63.856 -2.901 1.00 33.11 C -ATOM 4282 CD2 LEU B 190 53.072 66.154 -3.731 1.00 27.12 C -ATOM 4283 N GLU B 191 58.217 66.136 -2.755 1.00 38.97 N -ATOM 4284 CA GLU B 191 59.443 66.529 -2.076 1.00 45.76 C -ATOM 4285 C GLU B 191 60.012 67.655 -2.931 1.00 48.67 C -ATOM 4286 O GLU B 191 60.276 68.753 -2.437 1.00 49.59 O -ATOM 4287 CB GLU B 191 60.431 65.318 -1.992 1.00 50.13 C -ATOM 4288 CG GLU B 191 61.186 65.114 -0.604 1.00 53.77 C -ATOM 4289 CD GLU B 191 62.091 63.835 -0.466 1.00 54.77 C -ATOM 4290 OE1 GLU B 191 63.248 63.964 0.016 1.00 46.67 O -ATOM 4291 OE2 GLU B 191 61.648 62.703 -0.811 1.00 55.00 O -ATOM 4292 N ASP B 192 60.153 67.379 -4.231 1.00 50.03 N -ATOM 4293 CA ASP B 192 60.635 68.362 -5.212 1.00 47.15 C -ATOM 4294 C ASP B 192 59.772 69.611 -5.031 1.00 47.27 C -ATOM 4295 O ASP B 192 60.178 70.615 -4.428 1.00 38.77 O -ATOM 4296 CB ASP B 192 60.471 67.809 -6.650 1.00 38.43 C -ATOM 4297 CG ASP B 192 61.761 67.826 -7.448 1.00 38.49 C -ATOM 4298 OD1 ASP B 192 61.719 67.575 -8.669 1.00 43.61 O -ATOM 4299 OD2 ASP B 192 62.828 68.080 -6.851 1.00 52.10 O -ATOM 4300 N GLN B 193 58.535 69.493 -5.502 1.00 46.12 N -ATOM 4301 CA GLN B 193 57.569 70.559 -5.404 1.00 40.91 C -ATOM 4302 C GLN B 193 57.729 71.210 -4.028 1.00 41.74 C -ATOM 4303 O GLN B 193 57.405 72.373 -3.851 1.00 48.75 O -ATOM 4304 CB GLN B 193 56.195 69.958 -5.602 1.00 48.51 C -ATOM 4305 CG GLN B 193 55.114 70.958 -5.956 1.00 55.00 C -ATOM 4306 CD GLN B 193 53.752 70.303 -5.981 1.00 55.00 C -ATOM 4307 OE1 GLN B 193 52.772 70.876 -6.472 1.00 55.00 O -ATOM 4308 NE2 GLN B 193 53.684 69.081 -5.450 1.00 55.00 N -ATOM 4309 N ASN B 194 58.198 70.418 -3.059 1.00 43.98 N -ATOM 4310 CA ASN B 194 58.579 70.871 -1.718 1.00 47.59 C -ATOM 4311 C ASN B 194 57.457 70.854 -0.669 1.00 47.71 C -ATOM 4312 O ASN B 194 57.616 71.614 0.287 1.00 54.83 O -ATOM 4313 CB ASN B 194 59.143 72.282 -1.774 1.00 50.86 C -ATOM 4314 CG ASN B 194 60.604 72.282 -2.039 1.00 55.00 C -ATOM 4315 OD1 ASN B 194 61.114 72.928 -2.971 1.00 55.00 O -ATOM 4316 ND2 ASN B 194 61.313 71.540 -1.198 1.00 51.89 N -ATOM 4317 N LEU B 195 56.366 70.091 -0.707 1.00 49.01 N -ATOM 4318 CA LEU B 195 55.512 70.215 0.484 1.00 48.13 C -ATOM 4319 C LEU B 195 55.727 69.072 1.525 1.00 48.85 C -ATOM 4320 O LEU B 195 55.096 69.051 2.584 1.00 47.31 O -ATOM 4321 CB LEU B 195 54.031 70.276 0.061 1.00 46.71 C -ATOM 4322 CG LEU B 195 53.349 69.173 -0.748 1.00 50.73 C -ATOM 4323 CD1 LEU B 195 53.373 67.801 -0.054 1.00 55.00 C -ATOM 4324 CD2 LEU B 195 51.904 69.609 -0.895 1.00 46.79 C -ATOM 4325 N ILE B 196 56.634 68.141 1.229 1.00 49.61 N -ATOM 4326 CA ILE B 196 56.953 67.025 2.135 1.00 47.78 C -ATOM 4327 C ILE B 196 58.400 66.625 1.910 1.00 49.78 C -ATOM 4328 O ILE B 196 58.986 67.026 0.917 1.00 43.69 O -ATOM 4329 CB ILE B 196 56.091 65.742 1.865 1.00 46.51 C -ATOM 4330 CG1 ILE B 196 56.503 64.616 2.822 1.00 41.92 C -ATOM 4331 CG2 ILE B 196 56.347 65.223 0.446 1.00 43.91 C -ATOM 4332 CD1 ILE B 196 55.802 63.289 2.591 1.00 33.72 C -ATOM 4333 N SER B 197 58.957 65.851 2.837 1.00 48.99 N -ATOM 4334 CA SER B 197 60.305 65.270 2.742 1.00 48.63 C -ATOM 4335 C SER B 197 60.117 63.795 3.174 1.00 49.79 C -ATOM 4336 O SER B 197 59.284 63.550 4.059 1.00 53.36 O -ATOM 4337 CB SER B 197 61.279 66.010 3.697 1.00 50.39 C -ATOM 4338 OG SER B 197 61.608 67.334 3.256 1.00 48.61 O -ATOM 4339 N ALA B 198 60.828 62.825 2.575 1.00 43.28 N -ATOM 4340 CA ALA B 198 60.637 61.415 2.956 1.00 39.32 C -ATOM 4341 C ALA B 198 61.842 60.507 2.692 1.00 43.21 C -ATOM 4342 O ALA B 198 62.731 60.797 1.869 1.00 40.26 O -ATOM 4343 CB ALA B 198 59.431 60.851 2.225 1.00 29.81 C -ATOM 4344 N HIS B 199 61.817 59.379 3.408 1.00 49.57 N -ATOM 4345 CA HIS B 199 62.865 58.335 3.442 1.00 49.87 C -ATOM 4346 C HIS B 199 62.328 57.303 4.517 1.00 46.31 C -ATOM 4347 O HIS B 199 62.615 57.443 5.725 1.00 47.21 O -ATOM 4348 CB HIS B 199 64.201 59.055 3.858 1.00 49.82 C -ATOM 4349 CG HIS B 199 65.492 58.280 3.690 1.00 49.46 C -ATOM 4350 ND1 HIS B 199 66.223 57.792 4.761 1.00 47.28 N -ATOM 4351 CD2 HIS B 199 66.227 57.991 2.586 1.00 49.96 C -ATOM 4352 CE1 HIS B 199 67.346 57.247 4.328 1.00 42.58 C -ATOM 4353 NE2 HIS B 199 67.374 57.355 3.010 1.00 43.95 N -ATOM 4354 N GLY B 200 61.501 56.333 4.075 1.00 40.10 N -ATOM 4355 CA GLY B 200 60.906 55.308 4.941 1.00 27.33 C -ATOM 4356 C GLY B 200 59.804 55.903 5.808 1.00 34.99 C -ATOM 4357 O GLY B 200 58.694 55.374 5.952 1.00 36.63 O -ATOM 4358 N LYS B 201 60.166 56.999 6.460 1.00 42.07 N -ATOM 4359 CA LYS B 201 59.255 57.809 7.245 1.00 44.42 C -ATOM 4360 C LYS B 201 58.840 58.965 6.324 1.00 44.63 C -ATOM 4361 O LYS B 201 59.532 59.247 5.341 1.00 49.47 O -ATOM 4362 CB LYS B 201 59.985 58.344 8.479 1.00 48.26 C -ATOM 4363 CG LYS B 201 61.251 59.136 8.167 1.00 46.18 C -ATOM 4364 CD LYS B 201 61.700 59.966 9.380 1.00 50.97 C -ATOM 4365 CE LYS B 201 62.794 60.968 8.965 1.00 55.00 C -ATOM 4366 NZ LYS B 201 63.147 62.022 9.974 1.00 46.95 N -ATOM 4367 N THR B 202 57.756 59.658 6.623 1.00 42.59 N -ATOM 4368 CA THR B 202 57.340 60.779 5.784 1.00 45.69 C -ATOM 4369 C THR B 202 57.162 62.028 6.632 1.00 45.33 C -ATOM 4370 O THR B 202 56.354 62.056 7.567 1.00 48.13 O -ATOM 4371 CB THR B 202 56.002 60.461 5.045 1.00 45.90 C -ATOM 4372 OG1 THR B 202 55.101 59.797 5.945 1.00 47.06 O -ATOM 4373 CG2 THR B 202 56.269 59.591 3.815 1.00 45.47 C -ATOM 4374 N ILE B 203 57.964 63.045 6.337 1.00 38.83 N -ATOM 4375 CA ILE B 203 57.878 64.274 7.088 1.00 34.33 C -ATOM 4376 C ILE B 203 57.026 65.299 6.378 1.00 36.07 C -ATOM 4377 O ILE B 203 57.440 65.905 5.369 1.00 30.72 O -ATOM 4378 CB ILE B 203 59.219 64.928 7.304 1.00 39.32 C -ATOM 4379 CG1 ILE B 203 60.180 63.980 8.028 1.00 39.91 C -ATOM 4380 CG2 ILE B 203 58.985 66.201 8.105 1.00 37.86 C -ATOM 4381 CD1 ILE B 203 60.711 62.811 7.197 1.00 35.03 C -ATOM 4382 N VAL B 204 55.822 65.479 6.898 1.00 36.43 N -ATOM 4383 CA VAL B 204 54.939 66.465 6.325 1.00 44.34 C -ATOM 4384 C VAL B 204 55.540 67.795 6.706 1.00 47.25 C -ATOM 4385 O VAL B 204 56.210 67.871 7.742 1.00 53.56 O -ATOM 4386 CB VAL B 204 53.520 66.440 6.924 1.00 47.34 C -ATOM 4387 CG1 VAL B 204 53.528 67.148 8.292 1.00 38.40 C -ATOM 4388 CG2 VAL B 204 52.546 67.137 5.979 1.00 48.02 C -ATOM 4389 N VAL B 205 55.358 68.816 5.878 1.00 45.13 N -ATOM 4390 CA VAL B 205 55.792 70.158 6.279 1.00 44.73 C -ATOM 4391 C VAL B 205 54.468 70.987 6.231 1.00 44.05 C -ATOM 4392 O VAL B 205 53.372 70.375 6.486 1.00 31.19 O -ATOM 4393 CB VAL B 205 56.902 70.804 5.278 1.00 33.70 C -ATOM 4394 CG1 VAL B 205 57.437 72.095 5.886 1.00 36.67 C -ATOM 4395 CG2 VAL B 205 58.117 69.915 5.115 1.00 27.64 C -TER 4396 VAL B 205 -HETATM 4397 P CMP A 762 23.446 66.059 7.025 1.00 21.21 P -HETATM 4398 O1P CMP A 762 24.861 65.799 6.725 1.00 16.95 O -HETATM 4399 O2P CMP A 762 23.112 66.994 8.149 1.00 26.22 O -HETATM 4400 O5' CMP A 762 22.849 66.716 5.697 1.00 26.51 O -HETATM 4401 C5' CMP A 762 22.696 65.967 4.459 1.00 24.11 C -HETATM 4402 C4' CMP A 762 22.122 64.593 4.720 1.00 19.73 C -HETATM 4403 O4' CMP A 762 22.430 63.679 3.642 1.00 19.87 O -HETATM 4404 C3' CMP A 762 22.777 63.849 5.855 1.00 23.16 C -HETATM 4405 O3' CMP A 762 22.698 64.643 7.044 1.00 16.35 O -HETATM 4406 C2' CMP A 762 22.150 62.475 5.657 1.00 15.69 C -HETATM 4407 C1' CMP A 762 22.386 62.324 4.137 1.00 24.39 C -HETATM 4408 N9 CMP A 762 23.619 61.624 3.714 1.00 12.64 N -HETATM 4409 C8 CMP A 762 24.903 62.073 3.841 1.00 22.17 C -HETATM 4410 N7 CMP A 762 25.821 61.231 3.387 1.00 20.71 N -HETATM 4411 C5 CMP A 762 25.086 60.156 2.920 1.00 13.01 C -HETATM 4412 C6 CMP A 762 25.475 58.919 2.309 1.00 14.58 C -HETATM 4413 N6 CMP A 762 26.765 58.591 1.967 1.00 12.19 N -HETATM 4414 N1 CMP A 762 24.497 58.040 2.025 1.00 9.86 N -HETATM 4415 C2 CMP A 762 23.221 58.389 2.273 1.00 10.47 C -HETATM 4416 N3 CMP A 762 22.727 59.528 2.798 1.00 18.21 N -HETATM 4417 C4 CMP A 762 23.721 60.378 3.112 1.00 15.89 C -HETATM 4418 P CMP B 761 30.868 44.322 10.111 1.00 22.81 P -HETATM 4419 O1P CMP B 761 30.249 44.780 8.824 1.00 17.93 O -HETATM 4420 O2P CMP B 761 30.231 43.185 10.844 1.00 18.79 O -HETATM 4421 O5' CMP B 761 32.366 43.895 9.809 1.00 13.33 O -HETATM 4422 C5' CMP B 761 33.274 44.800 9.251 1.00 17.27 C -HETATM 4423 C4' CMP B 761 33.284 46.017 10.078 1.00 16.92 C -HETATM 4424 O4' CMP B 761 34.091 47.063 9.520 1.00 19.03 O -HETATM 4425 C3' CMP B 761 31.951 46.686 10.283 1.00 16.47 C -HETATM 4426 O3' CMP B 761 31.094 45.720 10.901 1.00 15.14 O -HETATM 4427 C2' CMP B 761 32.444 47.944 10.985 1.00 12.11 C -HETATM 4428 C1' CMP B 761 33.587 48.307 10.004 1.00 20.63 C -HETATM 4429 N9 CMP B 761 33.317 49.131 8.805 1.00 18.49 N -HETATM 4430 C8 CMP B 761 32.660 48.826 7.627 1.00 19.25 C -HETATM 4431 N7 CMP B 761 32.732 49.773 6.710 1.00 15.30 N -HETATM 4432 C5 CMP B 761 33.450 50.775 7.339 1.00 22.11 C -HETATM 4433 C6 CMP B 761 33.878 52.048 6.920 1.00 19.56 C -HETATM 4434 N6 CMP B 761 33.651 52.576 5.730 1.00 29.04 N -HETATM 4435 N1 CMP B 761 34.576 52.780 7.802 1.00 25.11 N -HETATM 4436 C2 CMP B 761 34.827 52.273 9.053 1.00 22.25 C -HETATM 4437 N3 CMP B 761 34.479 51.128 9.560 1.00 7.44 N -HETATM 4438 C4 CMP B 761 33.791 50.404 8.646 1.00 22.16 C -HETATM 4439 O HOH C 497 45.092 62.707 -38.052 1.00 40.55 O -HETATM 4440 O HOH C 498 34.545 54.424 -34.074 1.00 46.59 O -HETATM 4441 O HOH C 499 32.083 57.720 -40.155 1.00 25.70 O -HETATM 4442 O HOH C 500 26.669 65.133 -35.452 1.00 33.79 O -HETATM 4443 O HOH C 502 21.789 72.181 -22.980 1.00 47.12 O -HETATM 4444 O HOH C 505 15.248 65.765 -18.568 1.00 13.30 O -HETATM 4445 O HOH C 506 18.102 63.640 -26.184 1.00 10.55 O -HETATM 4446 O HOH C 511 38.134 67.177 -36.049 1.00 39.67 O -HETATM 4447 O HOH C 545 6.496 75.445 -24.344 1.00 34.06 O -HETATM 4448 O HOH C 546 5.915 78.120 -25.570 1.00 50.35 O -HETATM 4449 O HOH C 561 26.503 57.806 -38.215 1.00 49.33 O -HETATM 4450 O HOH C 562 34.543 63.954 -34.779 1.00 26.30 O -HETATM 4451 O HOH C 565 40.503 54.446 -28.868 1.00 44.04 O -HETATM 4452 O HOH C 568 -4.406 63.698 -17.231 1.00 41.56 O -HETATM 4453 O HOH C 569 -3.754 71.074 -24.645 1.00 26.72 O -HETATM 4454 O HOH C 572 9.518 75.455 -21.479 1.00 41.76 O -HETATM 4455 O HOH C 573 17.844 76.245 -23.110 1.00 54.25 O -HETATM 4456 O HOH C 574 10.529 81.336 -25.817 1.00 20.78 O -HETATM 4457 O HOH C 576 19.103 72.754 -21.738 1.00 37.97 O -HETATM 4458 O HOH C 593 37.142 57.678 -32.298 1.00 44.28 O -HETATM 4459 O HOH C 594 28.559 54.589 -35.786 1.00 33.76 O -HETATM 4460 O HOH C 595 24.818 56.110 -35.105 1.00 38.87 O -HETATM 4461 O HOH C 597 6.032 71.716 -33.977 1.00 28.94 O -HETATM 4462 O HOH C 598 6.701 81.328 -24.221 1.00 32.38 O -HETATM 4463 O HOH C 600 38.755 57.279 -27.498 1.00 23.05 O -HETATM 4464 O HOH C 609 15.304 73.759 -12.366 1.00 45.91 O -HETATM 4465 O HOH C 612 19.746 75.497 -20.941 1.00 24.75 O -HETATM 4466 O HOH C 631 33.850 55.583 -37.595 1.00 38.18 O -HETATM 4467 O HOH C 635 41.052 57.278 -30.411 1.00 54.37 O -HETATM 4468 O HOH C 636 23.329 62.494 -35.820 1.00 44.05 O -HETATM 4469 O HOH C 645 16.739 74.990 -27.635 1.00 34.45 O -HETATM 4470 O HOH C 652 -2.747 62.236 -18.959 1.00 51.72 O -HETATM 4471 O HOH C 655 21.437 58.130 -27.166 1.00 44.51 O -HETATM 4472 O HOH C 656 20.214 58.740 -36.056 1.00 47.44 O -HETATM 4473 O HOH C 659 15.915 66.391 -16.034 1.00 44.96 O -HETATM 4474 O HOH C 660 16.874 60.354 -21.901 1.00 39.78 O -HETATM 4475 O HOH C 672 -6.306 64.692 -18.758 1.00 14.12 O -HETATM 4476 O HOH C 677 21.194 62.919 -31.519 1.00 55.00 O -HETATM 4477 O HOH C 692 20.660 75.297 -23.813 1.00 41.23 O -HETATM 4478 O HOH C 699 -1.234 68.669 -34.146 1.00 48.42 O -HETATM 4479 O HOH C 700 -4.841 71.213 -27.538 1.00 47.07 O -HETATM 4480 O HOH C 701 -1.095 63.024 -23.484 1.00 43.34 O -HETATM 4481 O HOH C 702 16.283 79.208 -26.983 1.00 49.40 O -HETATM 4482 O HOH C 706 19.179 59.427 -27.503 1.00 47.32 O -HETATM 4483 O HOH C 707 22.551 57.921 -34.154 1.00 55.00 O -HETATM 4484 O HOH C 708 22.568 54.840 -35.215 1.00 28.25 O -HETATM 4485 O HOH C 709 37.110 60.913 -39.945 1.00 20.63 O -HETATM 4486 O HOH C 710 39.915 65.768 -33.913 1.00 55.00 O -HETATM 4487 O HOH C 715 30.547 58.805 -30.327 1.00 32.03 O -HETATM 4488 O HOH C 724 24.361 53.539 -32.522 1.00 43.87 O -HETATM 4489 O HOH D 475 70.347 58.185 -8.109 1.00 55.00 O -HETATM 4490 O HOH D 476 64.471 44.790 -17.048 1.00 46.14 O -HETATM 4491 O HOH D 477 51.769 43.366 -8.088 1.00 32.45 O -HETATM 4492 O HOH D 478 53.137 40.252 -11.712 1.00 55.00 O -HETATM 4493 O HOH D 479 60.531 36.463 -9.174 1.00 38.78 O -HETATM 4494 O HOH D 480 58.862 36.585 -19.509 1.00 54.25 O -HETATM 4495 O HOH D 481 66.890 46.517 -12.427 1.00 27.96 O -HETATM 4496 O HOH D 482 73.157 47.205 -13.109 1.00 53.02 O -HETATM 4497 O HOH D 485 65.406 39.582 13.133 1.00 28.43 O -HETATM 4498 O HOH D 486 62.621 47.039 14.604 1.00 52.46 O -HETATM 4499 O HOH D 489 65.155 39.397 -1.228 1.00 20.94 O -HETATM 4500 O HOH D 490 46.206 49.808 -17.576 1.00 35.36 O -HETATM 4501 O HOH D 493 42.855 63.733 -22.373 1.00 33.69 O -HETATM 4502 O HOH D 512 51.508 67.455 -17.121 1.00 37.41 O -HETATM 4503 O HOH D 517 55.844 44.029 14.113 1.00 40.33 O -HETATM 4504 O HOH D 518 57.886 44.135 10.476 1.00 41.36 O -HETATM 4505 O HOH D 524 51.555 62.372 -24.432 1.00 27.58 O -HETATM 4506 O HOH D 525 43.711 56.235 -28.355 1.00 26.56 O -HETATM 4507 O HOH D 529 60.736 42.023 8.755 1.00 40.46 O -HETATM 4508 O HOH D 530 56.046 49.978 8.883 1.00 27.41 O -HETATM 4509 O HOH D 533 70.091 40.615 -3.930 1.00 22.25 O -HETATM 4510 O HOH D 534 67.001 53.080 -8.644 1.00 42.15 O -HETATM 4511 O HOH D 535 70.597 45.672 7.197 1.00 19.93 O -HETATM 4512 O HOH D 538 56.990 37.442 -11.269 1.00 32.19 O -HETATM 4513 O HOH D 539 65.265 35.444 -10.170 1.00 34.93 O -HETATM 4514 O HOH D 540 62.109 37.199 -7.114 1.00 52.71 O -HETATM 4515 O HOH D 547 42.794 68.731 -22.407 1.00 35.15 O -HETATM 4516 O HOH D 548 46.123 70.632 -24.405 1.00 35.29 O -HETATM 4517 O HOH D 549 67.748 49.985 -8.437 1.00 10.22 O -HETATM 4518 O HOH D 550 74.545 45.447 -9.233 1.00 51.32 O -HETATM 4519 O HOH D 551 54.585 44.617 -19.064 1.00 26.70 O -HETATM 4520 O HOH D 552 53.794 42.969 -10.618 1.00 50.80 O -HETATM 4521 O HOH D 553 49.037 44.429 -18.075 1.00 37.42 O -HETATM 4522 O HOH D 554 48.762 48.216 -18.826 1.00 27.63 O -HETATM 4523 O HOH D 556 49.442 65.308 -24.106 1.00 24.91 O -HETATM 4524 O HOH D 557 49.882 70.093 -21.008 1.00 35.27 O -HETATM 4525 O HOH D 558 43.056 66.665 -27.299 1.00 47.52 O -HETATM 4526 O HOH D 567 60.509 38.551 -10.754 1.00 46.62 O -HETATM 4527 O HOH D 582 58.263 43.649 7.952 1.00 45.35 O -HETATM 4528 O HOH D 584 68.602 58.415 -1.102 1.00 26.82 O -HETATM 4529 O HOH D 585 62.961 41.331 -17.673 1.00 36.46 O -HETATM 4530 O HOH D 586 65.781 42.618 -14.654 1.00 33.90 O -HETATM 4531 O HOH D 587 57.291 38.952 -20.892 1.00 45.33 O -HETATM 4532 O HOH D 588 45.117 52.569 -17.172 1.00 30.91 O -HETATM 4533 O HOH D 591 53.289 60.935 -18.784 1.00 52.00 O -HETATM 4534 O HOH D 601 52.176 45.995 -18.770 1.00 38.67 O -HETATM 4535 O HOH D 607 46.868 43.275 -9.443 1.00 39.72 O -HETATM 4536 O HOH D 617 43.045 64.995 -15.789 1.00 49.25 O -HETATM 4537 O HOH D 621 67.269 32.001 17.229 1.00 48.15 O -HETATM 4538 O HOH D 622 62.211 36.743 13.534 1.00 46.51 O -HETATM 4539 O HOH D 624 71.630 38.512 -10.357 1.00 46.87 O -HETATM 4540 O HOH D 626 69.132 49.442 -10.591 1.00 38.27 O -HETATM 4541 O HOH D 633 42.251 68.919 -19.154 1.00 38.70 O -HETATM 4542 O HOH D 642 67.973 57.466 -6.149 1.00 33.81 O -HETATM 4543 O HOH D 643 50.302 66.708 -28.579 1.00 42.56 O -HETATM 4544 O HOH D 644 49.016 61.067 -28.672 1.00 53.81 O -HETATM 4545 O HOH D 666 55.217 38.453 -8.585 1.00 51.32 O -HETATM 4546 O HOH D 667 55.814 43.041 -8.509 1.00 19.14 O -HETATM 4547 O HOH D 668 62.561 34.808 -12.282 1.00 30.86 O -HETATM 4548 O HOH D 669 66.797 49.407 15.098 1.00 55.00 O -HETATM 4549 O HOH D 683 56.396 41.212 -19.750 1.00 52.13 O -HETATM 4550 O HOH D 695 50.283 38.631 -15.757 1.00 35.91 O -HETATM 4551 O HOH D 696 58.305 42.736 -8.090 1.00 44.09 O -HETATM 4552 O HOH D 697 61.189 39.930 -7.739 1.00 53.41 O -HETATM 4553 O HOH D 713 68.551 53.858 -6.671 1.00 43.38 O -HETATM 4554 O HOH D 714 66.847 51.437 8.723 1.00 43.84 O -HETATM 4555 O HOH D 742 65.905 52.520 14.043 1.00 53.80 O -HETATM 4556 O HOH D 749 69.799 45.512 1.693 1.00 51.26 O -HETATM 4557 O HOH D 752 63.835 52.551 11.873 1.00 41.86 O -HETATM 4558 O HOH D 753 61.683 51.699 14.595 1.00 39.64 O -HETATM 4559 O HOH D 755 70.864 48.989 -15.635 1.00 55.00 O -HETATM 4560 O HOH E 483 67.397 35.573 10.316 1.00 20.55 O -HETATM 4561 O HOH E 484 67.927 39.018 11.403 1.00 28.29 O -HETATM 4562 O HOH E 487 63.705 52.517 -0.832 1.00 36.53 O -HETATM 4563 O HOH E 488 65.354 49.889 -4.492 1.00 49.78 O -HETATM 4564 O HOH E 515 74.697 45.400 5.860 1.00 44.70 O -HETATM 4565 O HOH E 516 75.656 39.879 3.425 1.00 32.51 O -HETATM 4566 O HOH E 519 67.795 33.325 3.865 1.00 46.58 O -HETATM 4567 O HOH E 520 72.727 49.110 4.087 1.00 29.56 O -HETATM 4568 O HOH E 521 56.084 57.660 -19.059 1.00 22.64 O -HETATM 4569 O HOH E 531 76.028 51.424 12.000 1.00 34.44 O -HETATM 4570 O HOH E 536 72.935 51.041 11.055 1.00 31.90 O -HETATM 4571 O HOH E 537 72.141 46.460 4.120 1.00 52.00 O -HETATM 4572 O HOH E 543 57.218 36.663 5.877 1.00 21.30 O -HETATM 4573 O HOH E 544 65.310 39.550 9.706 1.00 33.24 O -HETATM 4574 O HOH E 566 69.997 37.575 10.818 1.00 55.00 O -HETATM 4575 O HOH E 570 75.565 35.395 7.040 1.00 33.90 O -HETATM 4576 O HOH E 571 70.867 49.370 11.889 1.00 35.98 O -HETATM 4577 O HOH E 577 69.335 38.156 1.355 1.00 38.59 O -HETATM 4578 O HOH E 578 73.936 49.676 13.646 1.00 47.86 O -HETATM 4579 O HOH E 579 73.413 46.396 8.669 1.00 43.69 O -HETATM 4580 O HOH E 580 81.229 50.580 8.324 1.00 37.52 O -HETATM 4581 O HOH E 581 81.781 42.290 10.185 1.00 25.63 O -HETATM 4582 O HOH E 583 63.154 49.753 0.787 1.00 20.16 O -HETATM 4583 O HOH E 590 52.394 48.873 -30.007 1.00 53.55 O -HETATM 4584 O HOH E 604 61.104 54.976 -26.847 1.00 47.94 O -HETATM 4585 O HOH E 605 57.666 55.211 -26.018 1.00 50.15 O -HETATM 4586 O HOH E 606 60.039 55.864 -23.590 1.00 55.00 O -HETATM 4587 O HOH E 618 60.100 41.365 -5.201 1.00 45.95 O -HETATM 4588 O HOH E 619 70.637 38.501 14.290 1.00 46.42 O -HETATM 4589 O HOH E 620 73.290 40.555 14.035 1.00 41.72 O -HETATM 4590 O HOH E 623 57.193 39.220 8.721 1.00 37.63 O -HETATM 4591 O HOH E 625 66.092 50.610 -10.399 1.00 23.91 O -HETATM 4592 O HOH E 639 77.611 47.325 18.440 1.00 35.78 O -HETATM 4593 O HOH E 640 71.268 40.221 1.712 1.00 47.00 O -HETATM 4594 O HOH E 641 64.841 55.304 -2.212 1.00 38.46 O -HETATM 4595 O HOH E 646 60.211 47.358 -24.602 1.00 44.79 O -HETATM 4596 O HOH E 647 57.361 49.302 -22.833 1.00 33.40 O -HETATM 4597 O HOH E 684 57.900 46.482 -21.158 1.00 49.78 O -HETATM 4598 O HOH E 685 57.827 43.936 -4.996 1.00 54.36 O -HETATM 4599 O HOH E 686 80.651 48.325 11.022 1.00 29.52 O -HETATM 4600 O HOH E 687 79.286 51.604 13.129 1.00 49.66 O -HETATM 4601 O HOH E 688 80.238 44.021 6.912 1.00 45.95 O -HETATM 4602 O HOH E 743 60.733 33.245 7.305 1.00 55.00 O -HETATM 4603 O HOH E 750 77.556 43.536 6.417 1.00 53.41 O -HETATM 4604 O HOH E 751 74.125 33.302 1.512 1.00 55.00 O -HETATM 4605 O HOH E 754 58.691 40.778 -0.272 1.00 53.41 O -HETATM 4606 O HOH E 756 65.062 57.859 -15.430 1.00 51.71 O -HETATM 4607 O HOH F 491 39.601 51.800 -14.163 1.00 48.63 O -HETATM 4608 O HOH F 492 42.338 57.424 -18.088 1.00 30.52 O -HETATM 4609 O HOH F 494 40.611 68.254 -26.386 1.00 43.31 O -HETATM 4610 O HOH F 495 36.111 75.412 -28.364 1.00 44.29 O -HETATM 4611 O HOH F 496 38.325 74.842 -20.690 1.00 29.66 O -HETATM 4612 O HOH F 501 28.870 71.233 -37.894 1.00 27.70 O -HETATM 4613 O HOH F 503 20.912 72.874 -29.010 1.00 44.34 O -HETATM 4614 O HOH F 504 13.937 66.994 -20.653 1.00 23.17 O -HETATM 4615 O HOH F 507 10.104 59.707 -27.834 1.00 40.20 O -HETATM 4616 O HOH F 508 8.864 68.297 -31.113 1.00 39.94 O -HETATM 4617 O HOH F 509 7.068 68.916 -33.354 1.00 47.65 O -HETATM 4618 O HOH F 510 11.412 69.749 -31.428 1.00 17.90 O -HETATM 4619 O HOH F 513 40.640 65.256 -22.789 1.00 23.04 O -HETATM 4620 O HOH F 514 35.254 72.551 -20.118 1.00 55.00 O -HETATM 4621 O HOH F 522 51.575 55.673 -25.930 1.00 33.99 O -HETATM 4622 O HOH F 523 41.795 46.087 -19.656 1.00 38.63 O -HETATM 4623 O HOH F 526 15.802 70.478 -35.327 1.00 35.20 O -HETATM 4624 O HOH F 527 6.392 61.612 -26.066 1.00 23.72 O -HETATM 4625 O HOH F 528 29.124 79.776 -34.852 1.00 32.63 O -HETATM 4626 O HOH F 541 37.883 51.549 -24.595 1.00 54.07 O -HETATM 4627 O HOH F 542 34.835 50.547 -20.628 1.00 30.94 O -HETATM 4628 O HOH F 559 31.162 76.662 -22.119 1.00 55.00 O -HETATM 4629 O HOH F 560 31.060 70.006 -34.200 1.00 16.86 O -HETATM 4630 O HOH F 563 16.542 71.808 -32.219 1.00 21.10 O -HETATM 4631 O HOH F 564 14.867 68.245 -36.351 1.00 34.11 O -HETATM 4632 O HOH F 575 18.549 64.506 -40.441 1.00 32.89 O -HETATM 4633 O HOH F 589 45.887 44.599 -27.592 1.00 37.29 O -HETATM 4634 O HOH F 592 35.632 50.257 -23.883 1.00 50.89 O -HETATM 4635 O HOH F 596 22.784 72.471 -27.076 1.00 42.58 O -HETATM 4636 O HOH F 599 7.194 58.282 -22.777 1.00 48.95 O -HETATM 4637 O HOH F 602 2.172 75.065 -25.769 1.00 29.07 O -HETATM 4638 O HOH F 603 6.522 79.928 -16.010 1.00 25.22 O -HETATM 4639 O HOH F 608 43.025 43.992 -21.855 1.00 29.25 O -HETATM 4640 O HOH F 610 7.478 77.422 -10.240 1.00 18.53 O -HETATM 4641 O HOH F 613 17.066 57.430 -29.734 1.00 29.65 O -HETATM 4642 O HOH F 614 27.442 72.109 -25.068 1.00 16.67 O -HETATM 4643 O HOH F 615 29.667 73.505 -25.820 1.00 28.54 O -HETATM 4644 O HOH F 616 34.311 76.445 -23.875 1.00 49.17 O -HETATM 4645 O HOH F 627 40.192 64.519 -16.676 1.00 55.00 O -HETATM 4646 O HOH F 628 4.897 63.696 -25.327 1.00 38.66 O -HETATM 4647 O HOH F 629 13.729 70.695 -32.590 1.00 37.63 O -HETATM 4648 O HOH F 630 40.317 69.089 -23.974 1.00 54.97 O -HETATM 4649 O HOH F 632 31.852 69.051 -22.413 1.00 36.54 O -HETATM 4650 O HOH F 634 37.512 63.501 -14.722 1.00 25.25 O -HETATM 4651 O HOH F 637 25.176 68.661 -35.141 1.00 49.11 O -HETATM 4652 O HOH F 648 4.653 68.424 -33.675 1.00 22.79 O -HETATM 4653 O HOH F 649 4.431 77.755 -22.149 1.00 41.86 O -HETATM 4654 O HOH F 650 7.296 75.601 -12.699 1.00 33.31 O -HETATM 4655 O HOH F 651 6.998 71.561 -11.947 1.00 37.29 O -HETATM 4656 O HOH F 653 7.933 58.041 -25.945 1.00 30.99 O -HETATM 4657 O HOH F 658 13.763 61.040 -18.030 1.00 47.96 O -HETATM 4658 O HOH F 661 33.756 72.777 -22.367 1.00 46.41 O -HETATM 4659 O HOH F 662 54.464 46.698 -24.996 1.00 46.73 O -HETATM 4660 O HOH F 663 36.668 53.614 -22.756 1.00 41.75 O -HETATM 4661 O HOH F 670 7.813 79.582 -18.457 1.00 37.60 O -HETATM 4662 O HOH F 671 8.196 65.636 -13.058 1.00 54.25 O -HETATM 4663 O HOH F 673 9.648 63.288 -15.403 1.00 38.99 O -HETATM 4664 O HOH F 674 8.696 62.103 -24.916 1.00 50.52 O -HETATM 4665 O HOH F 675 14.733 66.217 -23.050 1.00 35.25 O -HETATM 4666 O HOH F 676 11.389 72.474 -31.016 1.00 46.75 O -HETATM 4667 O HOH F 678 12.114 58.988 -34.210 1.00 53.56 O -HETATM 4668 O HOH F 679 35.294 69.551 -30.893 1.00 45.99 O -HETATM 4669 O HOH F 681 41.412 63.169 -19.944 1.00 43.35 O -HETATM 4670 O HOH F 682 43.289 54.324 -18.513 1.00 55.00 O -HETATM 4671 O HOH F 689 9.751 71.706 -11.911 1.00 32.94 O -HETATM 4672 O HOH F 690 7.616 61.298 -20.989 1.00 38.13 O -HETATM 4673 O HOH F 691 2.925 75.398 -8.790 1.00 51.05 O -HETATM 4674 O HOH F 693 25.480 73.849 -27.535 1.00 49.54 O -HETATM 4675 O HOH F 703 9.405 78.692 -15.849 1.00 48.02 O -HETATM 4676 O HOH F 704 3.752 75.722 -12.148 1.00 54.69 O -HETATM 4677 O HOH F 711 38.687 69.451 -28.246 1.00 49.88 O -HETATM 4678 O HOH F 712 37.106 67.659 -32.437 1.00 39.11 O -HETATM 4679 O HOH F 716 20.319 73.578 -33.478 1.00 45.67 O -HETATM 4680 O HOH F 718 6.360 63.920 -15.465 1.00 52.65 O -HETATM 4681 O HOH F 748 26.865 78.212 -29.056 1.00 55.00 O -HETATM 4682 O HOH A 611 10.284 72.559 -8.903 1.00 22.85 O -HETATM 4683 O HOH A 654 9.255 57.324 -28.987 1.00 55.00 O -HETATM 4684 O HOH A 657 21.678 54.651 -24.966 1.00 43.43 O -HETATM 4685 O HOH A 705 7.400 73.484 -9.214 1.00 47.11 O -HETATM 4686 O HOH A 717 17.557 61.852 -14.892 1.00 42.94 O -HETATM 4687 O HOH A 719 11.375 59.500 -14.354 1.00 52.68 O -HETATM 4688 O HOH A 720 12.614 53.284 -14.492 1.00 51.76 O -HETATM 4689 O HOH A 721 13.058 60.579 -10.316 1.00 49.73 O -HETATM 4690 O HOH A 722 28.816 53.412 -29.637 1.00 39.73 O -HETATM 4691 O HOH A 723 21.255 54.038 -29.711 1.00 41.83 O -HETATM 4692 O HOH A 725 38.936 47.409 -18.387 1.00 40.91 O -HETATM 4693 O HOH A 726 41.262 47.175 -17.411 1.00 38.05 O -HETATM 4694 O HOH A 734 12.478 74.038 6.484 1.00 49.67 O -HETATM 4695 O HOH A 735 18.509 73.301 5.314 1.00 43.09 O -HETATM 4696 O HOH A 736 19.750 65.654 -12.399 1.00 25.25 O -HETATM 4697 O HOH A 737 23.380 68.251 -12.222 1.00 25.18 O -HETATM 4698 O HOH A 738 14.892 62.388 -11.516 1.00 41.10 O -HETATM 4699 O HOH A 744 24.435 69.769 -18.274 1.00 48.14 O -HETATM 4700 O HOH A 745 25.815 69.476 -21.119 1.00 48.69 O -HETATM 4701 O HOH A 746 27.956 67.774 -19.811 1.00 55.00 O -HETATM 4702 O HOH A 747 26.553 66.389 -18.032 1.00 51.67 O -HETATM 4703 O HOH B 532 59.562 53.896 4.476 1.00 30.56 O -HETATM 4704 O HOH B 555 55.057 58.699 -15.558 1.00 44.05 O -HETATM 4705 O HOH B 638 59.004 61.481 -14.106 1.00 55.00 O -HETATM 4706 O HOH B 664 40.467 58.019 -13.975 1.00 51.91 O -HETATM 4707 O HOH B 665 43.433 63.243 -13.179 1.00 53.31 O -HETATM 4708 O HOH B 680 37.656 60.746 -12.566 1.00 55.00 O -HETATM 4709 O HOH B 694 27.051 28.112 9.958 1.00 40.96 O -HETATM 4710 O HOH B 698 66.350 59.431 7.530 1.00 46.96 O -HETATM 4711 O HOH B 727 50.447 47.743 -5.108 1.00 51.54 O -HETATM 4712 O HOH B 728 47.146 45.975 -3.411 1.00 42.22 O -HETATM 4713 O HOH B 729 46.157 49.437 -7.502 1.00 53.47 O -HETATM 4714 O HOH B 730 43.808 40.145 -13.034 1.00 30.09 O -HETATM 4715 O HOH B 731 36.050 55.545 6.786 1.00 37.49 O -HETATM 4716 O HOH B 732 38.361 59.270 3.275 1.00 53.62 O -HETATM 4717 O HOH B 733 40.217 64.375 2.797 1.00 44.11 O -HETATM 4718 O HOH B 739 41.541 53.966 -8.409 1.00 51.18 O -HETATM 4719 O HOH B 740 39.178 56.148 -9.152 1.00 32.47 O -HETATM 4720 O HOH B 741 40.084 58.973 -11.133 1.00 51.60 O -HETATM 4721 O HOH B 757 45.750 42.963 -13.260 1.00 55.00 O -HETATM 4722 O HOH B 758 53.894 43.192 17.506 1.00 50.14 O -HETATM 4723 O HOH B 759 51.308 41.624 18.445 1.00 44.78 O -HETATM 4724 O HOH B 760 51.831 41.946 22.916 1.00 43.08 O -CONECT 4397 4398 4399 4400 4405 -CONECT 4398 4397 -CONECT 4399 4397 -CONECT 4400 4397 4401 -CONECT 4401 4400 4402 -CONECT 4402 4401 4403 4404 -CONECT 4403 4402 4407 -CONECT 4404 4402 4405 4406 -CONECT 4405 4397 4404 -CONECT 4406 4404 4407 -CONECT 4407 4403 4406 4408 -CONECT 4408 4407 4409 4417 -CONECT 4409 4408 4410 -CONECT 4410 4409 4411 -CONECT 4411 4410 4412 4417 -CONECT 4412 4411 4413 4414 -CONECT 4413 4412 -CONECT 4414 4412 4415 -CONECT 4415 4414 4416 -CONECT 4416 4415 4417 -CONECT 4417 4408 4411 4416 -CONECT 4418 4419 4420 4421 4426 -CONECT 4419 4418 -CONECT 4420 4418 -CONECT 4421 4418 4422 -CONECT 4422 4421 4423 -CONECT 4423 4422 4424 4425 -CONECT 4424 4423 4428 -CONECT 4425 4423 4426 4427 -CONECT 4426 4418 4425 -CONECT 4427 4425 4428 -CONECT 4428 4424 4427 4429 -CONECT 4429 4428 4430 4438 -CONECT 4430 4429 4431 -CONECT 4431 4430 4432 -CONECT 4432 4431 4433 4438 -CONECT 4433 4432 4434 4435 -CONECT 4434 4433 -CONECT 4435 4433 4436 -CONECT 4436 4435 4437 -CONECT 4437 4436 4438 -CONECT 4438 4429 4432 4437 -MASTER 399 0 2 13 16 0 6 6 4718 6 42 42 -END diff --git a/biojava-structure/src/test/resources/2kc9.cif b/biojava-structure/src/test/resources/2kc9.cif deleted file mode 100644 index fb73a2a399..0000000000 --- a/biojava-structure/src/test/resources/2kc9.cif +++ /dev/null @@ -1,32912 +0,0 @@ -data_2KC9 -# -_entry.id 2KC9 -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 1.0670 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -loop_ -_database_2.database_id -_database_2.database_code -PDB 2KC9 -RCSB RCSB100941 -# -_database_PDB_rev.num 1 -_database_PDB_rev.date 2009-03-17 -_database_PDB_rev.date_original 2008-12-17 -_database_PDB_rev.mod_type 0 -_database_PDB_rev.replaces 2KC9 -_database_PDB_rev.status ? -# -_pdbx_database_related.db_name PDB -_pdbx_database_related.db_id 2KC8 -_pdbx_database_related.content_type unspecified -_pdbx_database_related.details -'Structure of E. coli toxin RelE (R81A/R83A) mutant in complex with antitoxin RelBc (K47-L79) peptide' -# -_pdbx_database_status.deposit_site BMRB -_pdbx_database_status.entry_id 2KC9 -_pdbx_database_status.process_site RCSB -_pdbx_database_status.SG_entry ? -_pdbx_database_status.status_code REL -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Li, G.' 1 -'Zhang, Y.' 2 -'Inouye, M.' 3 -'Ikura, M.' 4 -# -_citation.id primary -_citation.title 'RelE toxin is inhibited by antitoxin RelB through a helix displacement' -_citation.journal_abbrev 'To be Published' -_citation.journal_volume ? -_citation.page_first ? -_citation.page_last ? -_citation.year ? -_citation.journal_id_ASTM ? -_citation.country ? -_citation.journal_id_ISSN ? -_citation.journal_id_CSD 0353 -_citation.book_publisher ? -_citation.pdbx_database_id_PubMed ? -_citation.pdbx_database_id_DOI ? -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -primary 'Li, G.' 1 -primary 'Zhang, Y.' 2 -primary 'Inouye, M.' 3 -primary 'Ikura, M.' 4 -# -_entity.id 1 -_entity.type polymer -_entity.src_method man -_entity.pdbx_description 'Toxin relE' -_entity.formula_weight 11356.394 -_entity.pdbx_number_of_molecules 1 -_entity.details ? -_entity.pdbx_mutation 'R81A, R83A' -_entity.pdbx_fragment ? -_entity.pdbx_ec ? -# -_entity_keywords.entity_id 1 -_entity_keywords.text ? -# -_entity_poly.entity_id 1 -_entity_poly.type 'polypeptide(L)' -_entity_poly.nstd_linkage no -_entity_poly.nstd_monomer no -_entity_poly.pdbx_seq_one_letter_code -;GSHMAYFLDFDERALKEWRKLGSTVREQLKKKLVEVLESPRIEANKLRGMPDCYKIKLRSSGYRLVYQVIDEKVVVFVIS -VGKAEASEVYSEAVKRIL -; -_entity_poly.pdbx_seq_one_letter_code_can -;GSHMAYFLDFDERALKEWRKLGSTVREQLKKKLVEVLESPRIEANKLRGMPDCYKIKLRSSGYRLVYQVIDEKVVVFVIS -VGKAEASEVYSEAVKRIL -; -_entity_poly.pdbx_strand_id A -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 GLY n -1 2 SER n -1 3 HIS n -1 4 MET n -1 5 ALA n -1 6 TYR n -1 7 PHE n -1 8 LEU n -1 9 ASP n -1 10 PHE n -1 11 ASP n -1 12 GLU n -1 13 ARG n -1 14 ALA n -1 15 LEU n -1 16 LYS n -1 17 GLU n -1 18 TRP n -1 19 ARG n -1 20 LYS n -1 21 LEU n -1 22 GLY n -1 23 SER n -1 24 THR n -1 25 VAL n -1 26 ARG n -1 27 GLU n -1 28 GLN n -1 29 LEU n -1 30 LYS n -1 31 LYS n -1 32 LYS n -1 33 LEU n -1 34 VAL n -1 35 GLU n -1 36 VAL n -1 37 LEU n -1 38 GLU n -1 39 SER n -1 40 PRO n -1 41 ARG n -1 42 ILE n -1 43 GLU n -1 44 ALA n -1 45 ASN n -1 46 LYS n -1 47 LEU n -1 48 ARG n -1 49 GLY n -1 50 MET n -1 51 PRO n -1 52 ASP n -1 53 CYS n -1 54 TYR n -1 55 LYS n -1 56 ILE n -1 57 LYS n -1 58 LEU n -1 59 ARG n -1 60 SER n -1 61 SER n -1 62 GLY n -1 63 TYR n -1 64 ARG n -1 65 LEU n -1 66 VAL n -1 67 TYR n -1 68 GLN n -1 69 VAL n -1 70 ILE n -1 71 ASP n -1 72 GLU n -1 73 LYS n -1 74 VAL n -1 75 VAL n -1 76 VAL n -1 77 PHE n -1 78 VAL n -1 79 ILE n -1 80 SER n -1 81 VAL n -1 82 GLY n -1 83 LYS n -1 84 ALA n -1 85 GLU n -1 86 ALA n -1 87 SER n -1 88 GLU n -1 89 VAL n -1 90 TYR n -1 91 SER n -1 92 GLU n -1 93 ALA n -1 94 VAL n -1 95 LYS n -1 96 ARG n -1 97 ILE n -1 98 LEU n -# -_entity_src_gen.entity_id 1 -_entity_src_gen.gene_src_common_name ? -_entity_src_gen.gene_src_genus ? -_entity_src_gen.pdbx_gene_src_gene 'relE, b1563, JW1555' -_entity_src_gen.gene_src_species ? -_entity_src_gen.gene_src_strain K-12 -_entity_src_gen.gene_src_tissue ? -_entity_src_gen.gene_src_tissue_fraction ? -_entity_src_gen.gene_src_details ? -_entity_src_gen.pdbx_gene_src_fragment ? -_entity_src_gen.pdbx_gene_src_scientific_name 'Escherichia coli' -_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 83333 -_entity_src_gen.pdbx_gene_src_variant ? -_entity_src_gen.pdbx_gene_src_cell_line ? -_entity_src_gen.pdbx_gene_src_atcc ? -_entity_src_gen.pdbx_gene_src_organ ? -_entity_src_gen.pdbx_gene_src_organelle ? -_entity_src_gen.pdbx_gene_src_cell ? -_entity_src_gen.pdbx_gene_src_cellular_location ? -_entity_src_gen.host_org_common_name ? -_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' -_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 -_entity_src_gen.host_org_genus ? -_entity_src_gen.pdbx_host_org_gene ? -_entity_src_gen.pdbx_host_org_organ ? -_entity_src_gen.host_org_species ? -_entity_src_gen.pdbx_host_org_tissue ? -_entity_src_gen.pdbx_host_org_tissue_fraction ? -_entity_src_gen.pdbx_host_org_strain BL21 -_entity_src_gen.pdbx_host_org_variant DE3 -_entity_src_gen.pdbx_host_org_cell_line ? -_entity_src_gen.pdbx_host_org_atcc ? -_entity_src_gen.pdbx_host_org_culture_collection ? -_entity_src_gen.pdbx_host_org_cell ? -_entity_src_gen.pdbx_host_org_organelle ? -_entity_src_gen.pdbx_host_org_cellular_location ? -_entity_src_gen.pdbx_host_org_vector_type ? -_entity_src_gen.pdbx_host_org_vector pET28a -_entity_src_gen.plasmid_name ? -_entity_src_gen.plasmid_details ? -_entity_src_gen.pdbx_description -'RelE is expressed with his-tag fusion. The his-tag is removed by thrombin afterward' -# -_struct_ref.id 1 -_struct_ref.db_name UNP -_struct_ref.db_code RELE_ECOLI -_struct_ref.pdbx_db_accession P0C077 -_struct_ref.entity_id 1 -_struct_ref.pdbx_seq_one_letter_code -;MAYFLDFDERALKEWRKLGSTVREQLKKKLVEVLESPRIEANKLRGMPDCYKIKLRSSGY -RLVYQVIDEKVVVFVISVGKRERSEVYSEAVKRIL -; -_struct_ref.pdbx_align_begin 1 -_struct_ref.biol_id . -# -_struct_ref_seq.align_id 1 -_struct_ref_seq.ref_id 1 -_struct_ref_seq.pdbx_PDB_id_code 2KC9 -_struct_ref_seq.pdbx_strand_id A -_struct_ref_seq.seq_align_beg 4 -_struct_ref_seq.pdbx_seq_align_beg_ins_code ? -_struct_ref_seq.seq_align_end 98 -_struct_ref_seq.pdbx_seq_align_end_ins_code ? -_struct_ref_seq.pdbx_db_accession P0C077 -_struct_ref_seq.db_align_beg 1 -_struct_ref_seq.db_align_end 95 -_struct_ref_seq.pdbx_auth_seq_align_beg 1 -_struct_ref_seq.pdbx_auth_seq_align_end 95 -# -loop_ -_struct_ref_seq_dif.align_id -_struct_ref_seq_dif.pdbx_pdb_id_code -_struct_ref_seq_dif.mon_id -_struct_ref_seq_dif.pdbx_pdb_strand_id -_struct_ref_seq_dif.seq_num -_struct_ref_seq_dif.pdbx_pdb_ins_code -_struct_ref_seq_dif.pdbx_seq_db_name -_struct_ref_seq_dif.pdbx_seq_db_accession_code -_struct_ref_seq_dif.db_mon_id -_struct_ref_seq_dif.pdbx_seq_db_seq_num -_struct_ref_seq_dif.details -_struct_ref_seq_dif.pdbx_auth_seq_num -_struct_ref_seq_dif.pdbx_ordinal -1 2KC9 GLY A 1 ? UNP P0C077 ? ? 'EXPRESSION TAG' -2 1 -1 2KC9 SER A 2 ? UNP P0C077 ? ? 'EXPRESSION TAG' -1 2 -1 2KC9 HIS A 3 ? UNP P0C077 ? ? 'EXPRESSION TAG' 0 3 -1 2KC9 ALA A 84 ? UNP P0C077 ARG 81 ENGINEERED 81 4 -1 2KC9 ALA A 86 ? UNP P0C077 ARG 83 ENGINEERED 83 5 -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.207 -ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.094 -TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 -PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.191 -LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.174 -ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.104 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.130 -ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.210 -LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.197 -TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.228 -GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 -SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 -THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.120 -VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.147 -GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 -PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.132 -ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.174 -ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 -CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.154 -HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.164 -# -loop_ -_pdbx_nmr_exptl.conditions_id -_pdbx_nmr_exptl.experiment_id -_pdbx_nmr_exptl.solution_id -_pdbx_nmr_exptl.type -1 1 1 '2D 1H-15N HSQC' -1 2 1 '3D HNCACB' -1 3 1 '3D C(CO)NH' -1 4 1 '3D HNCO' -1 5 1 '3D H(CCO)NH' -1 6 1 '3D 1H-15N NOESY' -1 7 2 '2D 1H-13C HSQC' -1 8 2 '3D HCCH-TOCSY' -1 9 2 '3D HCCH-COSY' -1 10 2 '3D 1H-13C NOESY' -# -_pdbx_nmr_exptl_sample_conditions.conditions_id 1 -_pdbx_nmr_exptl_sample_conditions.ionic_strength 0.5 -_pdbx_nmr_exptl_sample_conditions.pH 6.5 -_pdbx_nmr_exptl_sample_conditions.pressure ambient -_pdbx_nmr_exptl_sample_conditions.pressure_units ? -_pdbx_nmr_exptl_sample_conditions.temperature 296.5 -# -loop_ -_pdbx_nmr_sample_details.contents -_pdbx_nmr_sample_details.solution_id -_pdbx_nmr_sample_details.solvent_system -;0.5 mM [U-13C; U-15N] RelE-1, 25 mM sodium phosphate-2, 500 mM sodium chloride-3, 1 mM DTT-4, 0.5 mM sodium azide-5, 90% H2O/10% D2O -; -1 '90% H2O/10% D2O' -'0.5 mM [U-13C; U-15N] RelE-6, 25 mM sodium phosphate-7, 500 mM sodium chloride-8, 1 mM DTT-9, 0.5 mM sodium azide-10, 100% D2O' -2 '100% D2O' -# -loop_ -_pdbx_nmr_spectrometer.field_strength -_pdbx_nmr_spectrometer.manufacturer -_pdbx_nmr_spectrometer.model -_pdbx_nmr_spectrometer.spectrometer_id -_pdbx_nmr_spectrometer.type -500 Varian INOVA 1 'Varian INOVA' -800 Bruker Avance 2 'Bruker Avance' -# -_pdbx_nmr_refine.entry_id 2KC9 -_pdbx_nmr_refine.method 'torsion angle dynamics, simulated annealing' -_pdbx_nmr_refine.details ? -# -_pdbx_nmr_ensemble.average_constraint_violations_per_residue ? -_pdbx_nmr_ensemble.average_constraints_per_residue ? -_pdbx_nmr_ensemble.average_distance_constraint_violation ? -_pdbx_nmr_ensemble.average_torsion_angle_constraint_violation 3.099 -_pdbx_nmr_ensemble.conformer_selection_criteria 'structures with the lowest energy' -_pdbx_nmr_ensemble.conformers_calculated_total_number 100 -_pdbx_nmr_ensemble.conformers_submitted_total_number 20 -_pdbx_nmr_ensemble.distance_constraint_violation_method ? -_pdbx_nmr_ensemble.entry_id 2KC9 -_pdbx_nmr_ensemble.maximum_distance_constraint_violation ? -_pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ? -_pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation 3.839 -_pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation 0.248 -_pdbx_nmr_ensemble.torsion_angle_constraint_violation_method CNS -# -_pdbx_nmr_representative.conformer_id 1 -_pdbx_nmr_representative.entry_id 2KC9 -_pdbx_nmr_representative.selection_criteria 'lowest energy' -# -loop_ -_pdbx_nmr_software.authors -_pdbx_nmr_software.classification -_pdbx_nmr_software.name -_pdbx_nmr_software.version -_pdbx_nmr_software.ordinal -'Bruker Biospin' collection TOPSPIN 2.0 1 -'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' processing NMRPipe ? 2 -'Bartels et al.' 'data analysis' XEASY ? 3 -'Bartels et al.' 'peak picking' XEASY ? 4 -'Bartels et al.' 'chemical shift assignment' XEASY ? 5 -'Guntert, Mumenthaler and Wuthrich' 'structure solution' CYANA 2.1 6 -'Guntert, Mumenthaler and Wuthrich' 'automated noe peak assignments' CYANA 2.1 7 -'Brunger, Adams, Clore, Gros, Nilges and Read' 'structure solution' CNS 1.1 8 -'Brunger, Adams, Clore, Gros, Nilges and Read' refinement CNS 1.1 9 -'Koradi, Billeter and Wuthrich' 'structure analysis' Molmol ? 10 -'Laskowski and MacArthur' 'data analysis' ProcheckNMR ? 11 -Varian collection VNMR ? 12 -# -_exptl.absorpt_coefficient_mu ? -_exptl.absorpt_correction_T_max ? -_exptl.absorpt_correction_T_min ? -_exptl.absorpt_correction_type ? -_exptl.absorpt_process_details ? -_exptl.crystals_number ? -_exptl.details 'There is a related deposition of this protein in complex with a antitoxin peptide' -_exptl.entry_id 2KC9 -_exptl.method 'SOLUTION NMR' -_exptl.method_details ? -# -_struct.entry_id 2KC9 -_struct.title 'Structure of E. coli toxin RelE (R81A/R83A) mutant in the free state' -_struct.pdbx_descriptor 'Toxin relE' -_struct.pdbx_model_details ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 2KC9 -_struct_keywords.pdbx_keywords TOXIN -_struct_keywords.text 'RelE, Toxin, Repressor, Stress response, Transcription, Transcription regulation' -# -_struct_asym.id A -_struct_asym.pdbx_blank_PDB_chainid_flag N -_struct_asym.pdbx_modified N -_struct_asym.entity_id 1 -_struct_asym.details ? -# -_struct_biol.id 1 -_struct_biol.details ? -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 ASP A 11 ? LEU A 21 ? ASP A 8 LEU A 18 1 ? 11 -HELX_P HELX_P2 2 GLY A 22 ? LEU A 37 ? GLY A 19 LEU A 34 1 ? 16 -HELX_P HELX_P3 3 SER A 87 ? ILE A 97 ? SER A 84 ILE A 94 1 ? 11 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -_struct_sheet.id A -_struct_sheet.type ? -_struct_sheet.number_strands 4 -_struct_sheet.details ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -A 1 2 ? parallel -A 2 3 ? anti-parallel -A 3 4 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -A 1 PHE A 7 ? PHE A 10 ? ? PHE A 4 PHE A 7 -A 2 VAL A 75 ? GLY A 82 ? ? VAL A 72 GLY A 79 -A 3 ARG A 64 ? ILE A 70 ? ? ARG A 61 ILE A 67 -A 4 CYS A 53 ? LYS A 57 ? ? CYS A 50 LYS A 54 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -A 1 2 N PHE A 7 ? N PHE A 4 O VAL A 76 ? O VAL A 73 -A 2 3 O PHE A 77 ? O PHE A 74 N GLN A 68 ? N GLN A 65 -A 3 4 O TYR A 67 ? O TYR A 64 N TYR A 54 ? N TYR A 51 -# -_atom_sites.entry_id 2KC9 -_atom_sites.Cartn_transform_axes ? -_atom_sites.fract_transf_matrix[1][1] 1.000000 -_atom_sites.fract_transf_matrix[1][2] 0.000000 -_atom_sites.fract_transf_matrix[1][3] 0.000000 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 1.000000 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 1.000000 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_type.symbol -N -C -O -S -H -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.Cartn_x_esd -_atom_site.Cartn_y_esd -_atom_site.Cartn_z_esd -_atom_site.occupancy_esd -_atom_site.B_iso_or_equiv_esd -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 N N . MET A 1 4 ? 11.137 15.464 -2.009 1.00 0.00 ? ? ? ? ? ? 1 MET A N 1 -ATOM 2 C CA . MET A 1 4 ? 11.403 14.375 -2.926 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 1 -ATOM 3 C C . MET A 1 4 ? 10.155 13.550 -3.034 1.00 0.00 ? ? ? ? ? ? 1 MET A C 1 -ATOM 4 O O . MET A 1 4 ? 9.527 13.246 -2.029 1.00 0.00 ? ? ? ? ? ? 1 MET A O 1 -ATOM 5 C CB . MET A 1 4 ? 12.557 13.508 -2.413 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 1 -ATOM 6 C CG . MET A 1 4 ? 13.011 12.411 -3.371 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 1 -ATOM 7 S SD . MET A 1 4 ? 14.353 11.401 -2.691 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 1 -ATOM 8 C CE . MET A 1 4 ? 14.675 10.299 -4.073 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 1 -ATOM 9 H H . MET A 1 4 ? 10.888 15.083 -1.077 1.00 0.00 ? ? ? ? ? ? 1 MET A H 1 -ATOM 10 H HA . MET A 1 4 ? 11.654 14.796 -3.886 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 1 -ATOM 11 H HB2 . MET A 1 4 ? 13.398 14.146 -2.198 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 1 -ATOM 12 H HB3 . MET A 1 4 ? 12.216 13.039 -1.503 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 1 -ATOM 13 H HG2 . MET A 1 4 ? 12.174 11.767 -3.594 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 1 -ATOM 14 H HG3 . MET A 1 4 ? 13.359 12.873 -4.283 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 1 -ATOM 15 H HE1 . MET A 1 4 ? 14.960 10.881 -4.937 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 1 -ATOM 16 H HE2 . MET A 1 4 ? 13.785 9.731 -4.299 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 1 -ATOM 17 H HE3 . MET A 1 4 ? 15.476 9.622 -3.815 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 1 -ATOM 18 N N . ALA A 1 5 ? 9.800 13.200 -4.229 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 1 -ATOM 19 C CA . ALA A 1 5 ? 8.602 12.444 -4.471 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 1 -ATOM 20 C C . ALA A 1 5 ? 8.939 11.156 -5.172 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 1 -ATOM 21 O O . ALA A 1 5 ? 9.832 11.111 -6.038 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 1 -ATOM 22 C CB . ALA A 1 5 ? 7.608 13.252 -5.284 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 1 -ATOM 23 H H . ALA A 1 5 ? 10.390 13.433 -4.975 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 1 -ATOM 24 H HA . ALA A 1 5 ? 8.155 12.214 -3.514 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 1 -ATOM 25 H HB1 . ALA A 1 5 ? 8.021 13.450 -6.262 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 1 -ATOM 26 H HB2 . ALA A 1 5 ? 7.402 14.182 -4.776 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 1 -ATOM 27 H HB3 . ALA A 1 5 ? 6.695 12.683 -5.381 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 1 -ATOM 28 N N . TYR A 1 6 ? 8.260 10.125 -4.798 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 1 -ATOM 29 C CA . TYR A 1 6 ? 8.477 8.817 -5.359 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 1 -ATOM 30 C C . TYR A 1 6 ? 7.337 8.490 -6.282 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 1 -ATOM 31 O O . TYR A 1 6 ? 6.365 9.246 -6.360 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 1 -ATOM 32 C CB . TYR A 1 6 ? 8.588 7.757 -4.247 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 1 -ATOM 33 C CG . TYR A 1 6 ? 9.792 7.922 -3.337 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 1 -ATOM 34 C CD1 . TYR A 1 6 ? 9.931 9.044 -2.530 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 1 -ATOM 35 C CD2 . TYR A 1 6 ? 10.780 6.947 -3.273 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 1 -ATOM 36 C CE1 . TYR A 1 6 ? 11.004 9.196 -1.696 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 1 -ATOM 37 C CE2 . TYR A 1 6 ? 11.867 7.094 -2.433 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 1 -ATOM 38 C CZ . TYR A 1 6 ? 11.968 8.224 -1.646 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 1 -ATOM 39 O OH . TYR A 1 6 ? 13.035 8.380 -0.799 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 1 -ATOM 40 H H . TYR A 1 6 ? 7.555 10.235 -4.126 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 1 -ATOM 41 H HA . TYR A 1 6 ? 9.397 8.838 -5.922 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 1 -ATOM 42 H HB2 . TYR A 1 6 ? 7.704 7.796 -3.629 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 1 -ATOM 43 H HB3 . TYR A 1 6 ? 8.649 6.781 -4.706 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 1 -ATOM 44 H HD1 . TYR A 1 6 ? 9.171 9.810 -2.572 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 1 -ATOM 45 H HD2 . TYR A 1 6 ? 10.694 6.064 -3.891 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 1 -ATOM 46 H HE1 . TYR A 1 6 ? 11.084 10.081 -1.082 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 1 -ATOM 47 H HE2 . TYR A 1 6 ? 12.629 6.329 -2.392 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 1 -ATOM 48 H HH . TYR A 1 6 ? 13.840 8.250 -1.319 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 1 -ATOM 49 N N . PHE A 1 7 ? 7.457 7.410 -6.983 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 1 -ATOM 50 C CA . PHE A 1 7 ? 6.424 6.979 -7.893 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 1 -ATOM 51 C C . PHE A 1 7 ? 5.525 5.984 -7.183 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 1 -ATOM 52 O O . PHE A 1 7 ? 5.893 5.475 -6.129 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 1 -ATOM 53 C CB . PHE A 1 7 ? 7.064 6.366 -9.136 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 1 -ATOM 54 C CG . PHE A 1 7 ? 7.960 7.328 -9.863 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 1 -ATOM 55 C CD1 . PHE A 1 7 ? 7.443 8.486 -10.421 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 1 -ATOM 56 C CD2 . PHE A 1 7 ? 9.317 7.079 -9.982 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 1 -ATOM 57 C CE1 . PHE A 1 7 ? 8.262 9.376 -11.084 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 1 -ATOM 58 C CE2 . PHE A 1 7 ? 10.141 7.966 -10.644 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 1 -ATOM 59 C CZ . PHE A 1 7 ? 9.613 9.116 -11.195 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 1 -ATOM 60 H H . PHE A 1 7 ? 8.267 6.861 -6.890 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 1 -ATOM 61 H HA . PHE A 1 7 ? 5.842 7.843 -8.178 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 1 -ATOM 62 H HB2 . PHE A 1 7 ? 7.684 5.540 -8.816 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 1 -ATOM 63 H HB3 . PHE A 1 7 ? 6.309 6.006 -9.818 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 1 -ATOM 64 H HD1 . PHE A 1 7 ? 6.386 8.692 -10.334 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 1 -ATOM 65 H HD2 . PHE A 1 7 ? 9.732 6.181 -9.551 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 1 -ATOM 66 H HE1 . PHE A 1 7 ? 7.842 10.273 -11.514 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 1 -ATOM 67 H HE2 . PHE A 1 7 ? 11.197 7.760 -10.729 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 1 -ATOM 68 H HZ . PHE A 1 7 ? 10.255 9.811 -11.714 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 1 -ATOM 69 N N . LEU A 1 8 ? 4.369 5.711 -7.730 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 1 -ATOM 70 C CA . LEU A 1 8 ? 3.442 4.786 -7.100 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 1 -ATOM 71 C C . LEU A 1 8 ? 3.080 3.703 -8.126 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 1 -ATOM 72 O O . LEU A 1 8 ? 2.774 4.020 -9.273 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 1 -ATOM 73 C CB . LEU A 1 8 ? 2.170 5.560 -6.649 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 1 -ATOM 74 C CG . LEU A 1 8 ? 1.350 5.009 -5.441 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 1 -ATOM 75 C CD1 . LEU A 1 8 ? 0.895 3.577 -5.624 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 1 -ATOM 76 C CD2 . LEU A 1 8 ? 2.116 5.160 -4.145 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 1 -ATOM 77 H H . LEU A 1 8 ? 4.110 6.128 -8.583 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 1 -ATOM 78 H HA . LEU A 1 8 ? 3.922 4.337 -6.242 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 1 -ATOM 79 H HB2 . LEU A 1 8 ? 2.471 6.566 -6.400 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 1 -ATOM 80 H HB3 . LEU A 1 8 ? 1.508 5.617 -7.501 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 1 -ATOM 81 H HG . LEU A 1 8 ? 0.453 5.605 -5.355 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 1 -ATOM 82 H HD11 . LEU A 1 8 ? 0.196 3.516 -6.446 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 1 -ATOM 83 H HD12 . LEU A 1 8 ? 0.438 3.227 -4.711 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 1 -ATOM 84 H HD13 . LEU A 1 8 ? 1.756 2.963 -5.838 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 1 -ATOM 85 H HD21 . LEU A 1 8 ? 3.052 4.632 -4.228 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 1 -ATOM 86 H HD22 . LEU A 1 8 ? 1.539 4.734 -3.339 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 1 -ATOM 87 H HD23 . LEU A 1 8 ? 2.299 6.204 -3.946 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 1 -ATOM 88 N N . ASP A 1 9 ? 3.137 2.449 -7.721 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 1 -ATOM 89 C CA . ASP A 1 9 ? 2.788 1.322 -8.587 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 1 -ATOM 90 C C . ASP A 1 9 ? 1.920 0.333 -7.802 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 1 -ATOM 91 O O . ASP A 1 9 ? 1.926 0.347 -6.570 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 1 -ATOM 92 C CB . ASP A 1 9 ? 4.063 0.643 -9.123 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 1 -ATOM 93 C CG . ASP A 1 9 ? 3.808 -0.464 -10.138 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 1 -ATOM 94 O OD1 . ASP A 1 9 ? 2.728 -0.492 -10.767 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 1 -ATOM 95 O OD2 . ASP A 1 9 ? 4.702 -1.308 -10.336 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 1 -ATOM 96 H H . ASP A 1 9 ? 3.422 2.256 -6.797 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 1 -ATOM 97 H HA . ASP A 1 9 ? 2.207 1.708 -9.410 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 1 -ATOM 98 H HB2 . ASP A 1 9 ? 4.691 1.386 -9.590 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 1 -ATOM 99 H HB3 . ASP A 1 9 ? 4.591 0.217 -8.283 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 1 -ATOM 100 N N . PHE A 1 10 ? 1.201 -0.511 -8.496 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 1 -ATOM 101 C CA . PHE A 1 10 ? 0.257 -1.435 -7.881 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 1 -ATOM 102 C C . PHE A 1 10 ? 0.450 -2.836 -8.426 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 1 -ATOM 103 O O . PHE A 1 10 ? 0.719 -3.016 -9.625 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 1 -ATOM 104 C CB . PHE A 1 10 ? -1.194 -1.032 -8.184 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 1 -ATOM 105 C CG . PHE A 1 10 ? -1.659 0.290 -7.649 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 1 -ATOM 106 C CD1 . PHE A 1 10 ? -1.500 1.452 -8.387 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 1 -ATOM 107 C CD2 . PHE A 1 10 ? -2.288 0.365 -6.419 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 1 -ATOM 108 C CE1 . PHE A 1 10 ? -1.956 2.660 -7.907 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 1 -ATOM 109 C CE2 . PHE A 1 10 ? -2.742 1.570 -5.929 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 1 -ATOM 110 C CZ . PHE A 1 10 ? -2.577 2.718 -6.673 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 1 -ATOM 111 H H . PHE A 1 10 ? 1.362 -0.554 -9.467 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 1 -ATOM 112 H HA . PHE A 1 10 ? 0.401 -1.428 -6.811 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 1 -ATOM 113 H HB2 . PHE A 1 10 ? -1.322 -0.996 -9.256 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 1 -ATOM 114 H HB3 . PHE A 1 10 ? -1.847 -1.799 -7.792 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 1 -ATOM 115 H HD1 . PHE A 1 10 ? -1.012 1.405 -9.350 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 1 -ATOM 116 H HD2 . PHE A 1 10 ? -2.416 -0.535 -5.835 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 1 -ATOM 117 H HE1 . PHE A 1 10 ? -1.825 3.558 -8.492 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 1 -ATOM 118 H HE2 . PHE A 1 10 ? -3.229 1.614 -4.966 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 1 -ATOM 119 H HZ . PHE A 1 10 ? -2.936 3.662 -6.292 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 1 -ATOM 120 N N . ASP A 1 11 ? 0.320 -3.817 -7.569 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 1 -ATOM 121 C CA . ASP A 1 11 ? 0.336 -5.212 -7.993 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 1 -ATOM 122 C C . ASP A 1 11 ? -0.998 -5.573 -8.619 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 1 -ATOM 123 O O . ASP A 1 11 ? -2.021 -5.001 -8.253 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 1 -ATOM 124 C CB . ASP A 1 11 ? 0.604 -6.140 -6.820 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 1 -ATOM 125 C CG . ASP A 1 11 ? 0.528 -7.578 -7.237 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 1 -ATOM 126 O OD1 . ASP A 1 11 ? 1.272 -7.986 -8.144 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 1 -ATOM 127 O OD2 . ASP A 1 11 ? -0.300 -8.309 -6.717 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 1 -ATOM 128 H H . ASP A 1 11 ? 0.238 -3.621 -6.610 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 1 -ATOM 129 H HA . ASP A 1 11 ? 1.116 -5.331 -8.730 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 1 -ATOM 130 H HB2 . ASP A 1 11 ? 1.587 -5.944 -6.419 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 1 -ATOM 131 H HB3 . ASP A 1 11 ? -0.137 -5.967 -6.054 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 1 -ATOM 132 N N . GLU A 1 12 ? -0.996 -6.506 -9.557 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 1 -ATOM 133 C CA . GLU A 1 12 ? -2.209 -6.907 -10.226 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 1 -ATOM 134 C C . GLU A 1 12 ? -3.231 -7.560 -9.264 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 1 -ATOM 135 O O . GLU A 1 12 ? -4.435 -7.478 -9.495 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 1 -ATOM 136 C CB . GLU A 1 12 ? -1.933 -7.703 -11.529 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 1 -ATOM 137 C CG . GLU A 1 12 ? -1.366 -9.107 -11.382 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 1 -ATOM 138 C CD . GLU A 1 12 ? -2.442 -10.144 -11.194 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 1 -ATOM 139 O OE1 . GLU A 1 12 ? -3.191 -10.423 -12.158 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 1 -ATOM 140 O OE2 . GLU A 1 12 ? -2.573 -10.690 -10.102 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 1 -ATOM 141 H H . GLU A 1 12 ? -0.147 -6.952 -9.775 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 1 -ATOM 142 H HA . GLU A 1 12 ? -2.666 -5.964 -10.496 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 1 -ATOM 143 H HB2 . GLU A 1 12 ? -2.863 -7.793 -12.072 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 1 -ATOM 144 H HB3 . GLU A 1 12 ? -1.250 -7.123 -12.133 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 1 -ATOM 145 H HG2 . GLU A 1 12 ? -0.781 -9.357 -12.254 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 1 -ATOM 146 H HG3 . GLU A 1 12 ? -0.732 -9.122 -10.508 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 1 -ATOM 147 N N . ARG A 1 13 ? -2.753 -8.210 -8.189 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 1 -ATOM 148 C CA . ARG A 1 13 ? -3.660 -8.786 -7.192 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 1 -ATOM 149 C C . ARG A 1 13 ? -4.273 -7.647 -6.397 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 1 -ATOM 150 O O . ARG A 1 13 ? -5.485 -7.618 -6.143 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 1 -ATOM 151 C CB . ARG A 1 13 ? -2.936 -9.773 -6.249 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 1 -ATOM 152 C CG . ARG A 1 13 ? -2.276 -10.947 -6.960 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 1 -ATOM 153 C CD . ARG A 1 13 ? -1.513 -11.848 -5.997 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 1 -ATOM 154 N NE . ARG A 1 13 ? -0.791 -12.929 -6.701 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 1 -ATOM 155 C CZ . ARG A 1 13 ? 0.197 -13.687 -6.176 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 1 -ATOM 156 N NH1 . ARG A 1 13 ? 0.621 -13.487 -4.943 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 1 -ATOM 157 N NH2 . ARG A 1 13 ? 0.768 -14.641 -6.904 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 1 -ATOM 158 H H . ARG A 1 13 ? -1.783 -8.303 -8.039 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 1 -ATOM 159 H HA . ARG A 1 13 ? -4.445 -9.296 -7.729 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 1 -ATOM 160 H HB2 . ARG A 1 13 ? -2.172 -9.233 -5.708 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 1 -ATOM 161 H HB3 . ARG A 1 13 ? -3.651 -10.163 -5.539 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 1 -ATOM 162 H HG2 . ARG A 1 13 ? -3.035 -11.530 -7.459 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 1 -ATOM 163 H HG3 . ARG A 1 13 ? -1.589 -10.549 -7.692 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 1 -ATOM 164 H HD2 . ARG A 1 13 ? -0.799 -11.247 -5.451 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 1 -ATOM 165 H HD3 . ARG A 1 13 ? -2.214 -12.287 -5.303 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 1 -ATOM 166 H HE . ARG A 1 13 ? -1.082 -13.066 -7.631 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 1 -ATOM 167 H HH11 . ARG A 1 13 ? 0.234 -12.774 -4.335 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 1 -ATOM 168 H HH12 . ARG A 1 13 ? 1.363 -14.027 -4.545 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 1 -ATOM 169 H HH21 . ARG A 1 13 ? 0.484 -14.825 -7.848 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 1 -ATOM 170 H HH22 . ARG A 1 13 ? 1.518 -15.196 -6.538 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 1 -ATOM 171 N N . ALA A 1 14 ? -3.430 -6.671 -6.067 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 1 -ATOM 172 C CA . ALA A 1 14 ? -3.851 -5.485 -5.354 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 1 -ATOM 173 C C . ALA A 1 14 ? -4.865 -4.693 -6.175 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 1 -ATOM 174 O O . ALA A 1 14 ? -5.811 -4.172 -5.636 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 1 -ATOM 175 C CB . ALA A 1 14 ? -2.650 -4.612 -4.995 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 1 -ATOM 176 H H . ALA A 1 14 ? -2.484 -6.775 -6.309 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 1 -ATOM 177 H HA . ALA A 1 14 ? -4.327 -5.804 -4.438 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 1 -ATOM 178 H HB1 . ALA A 1 14 ? -2.979 -3.760 -4.419 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 1 -ATOM 179 H HB2 . ALA A 1 14 ? -2.169 -4.265 -5.899 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 1 -ATOM 180 H HB3 . ALA A 1 14 ? -1.945 -5.187 -4.412 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 1 -ATOM 181 N N . LEU A 1 15 ? -4.671 -4.651 -7.491 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 1 -ATOM 182 C CA . LEU A 1 15 ? -5.566 -3.944 -8.400 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 1 -ATOM 183 C C . LEU A 1 15 ? -6.966 -4.519 -8.392 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 1 -ATOM 184 O O . LEU A 1 15 ? -7.948 -3.776 -8.451 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 1 -ATOM 185 C CB . LEU A 1 15 ? -5.010 -3.934 -9.820 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 1 -ATOM 186 C CG . LEU A 1 15 ? -3.847 -2.981 -10.087 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 1 -ATOM 187 C CD1 . LEU A 1 15 ? -3.321 -3.175 -11.495 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 1 -ATOM 188 C CD2 . LEU A 1 15 ? -4.298 -1.538 -9.899 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 1 -ATOM 189 H H . LEU A 1 15 ? -3.886 -5.100 -7.875 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 1 -ATOM 190 H HA . LEU A 1 15 ? -5.625 -2.922 -8.055 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 1 -ATOM 191 H HB2 . LEU A 1 15 ? -4.681 -4.939 -10.047 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 1 -ATOM 192 H HB3 . LEU A 1 15 ? -5.820 -3.687 -10.486 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 1 -ATOM 193 H HG . LEU A 1 15 ? -3.047 -3.181 -9.390 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 1 -ATOM 194 H HD11 . LEU A 1 15 ? -4.112 -2.970 -12.200 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 1 -ATOM 195 H HD12 . LEU A 1 15 ? -2.984 -4.194 -11.623 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 1 -ATOM 196 H HD13 . LEU A 1 15 ? -2.499 -2.497 -11.669 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 1 -ATOM 197 H HD21 . LEU A 1 15 ? -5.132 -1.334 -10.553 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 1 -ATOM 198 H HD22 . LEU A 1 15 ? -3.483 -0.876 -10.151 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 1 -ATOM 199 H HD23 . LEU A 1 15 ? -4.589 -1.369 -8.873 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 1 -ATOM 200 N N . LYS A 1 16 ? -7.056 -5.826 -8.291 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 1 -ATOM 201 C CA . LYS A 1 16 ? -8.340 -6.498 -8.258 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 1 -ATOM 202 C C . LYS A 1 16 ? -9.090 -6.099 -7.006 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 1 -ATOM 203 O O . LYS A 1 16 ? -10.277 -5.762 -7.064 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 1 -ATOM 204 C CB . LYS A 1 16 ? -8.133 -8.006 -8.295 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 1 -ATOM 205 C CG . LYS A 1 16 ? -7.534 -8.490 -9.593 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 1 -ATOM 206 C CD . LYS A 1 16 ? -6.878 -9.840 -9.429 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 1 -ATOM 207 C CE . LYS A 1 16 ? -6.246 -10.316 -10.730 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 1 -ATOM 208 N NZ . LYS A 1 16 ? -5.469 -9.249 -11.393 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 1 -ATOM 209 H H . LYS A 1 16 ? -6.227 -6.348 -8.234 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 1 -ATOM 210 H HA . LYS A 1 16 ? -8.899 -6.194 -9.130 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 1 -ATOM 211 H HB2 . LYS A 1 16 ? -7.474 -8.285 -7.486 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 1 -ATOM 212 H HB3 . LYS A 1 16 ? -9.086 -8.494 -8.155 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 1 -ATOM 213 H HG2 . LYS A 1 16 ? -8.311 -8.564 -10.340 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 1 -ATOM 214 H HG3 . LYS A 1 16 ? -6.791 -7.776 -9.914 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 1 -ATOM 215 H HD2 . LYS A 1 16 ? -6.106 -9.739 -8.681 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 1 -ATOM 216 H HD3 . LYS A 1 16 ? -7.615 -10.557 -9.101 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 1 -ATOM 217 H HE2 . LYS A 1 16 ? -5.565 -11.124 -10.502 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 1 -ATOM 218 H HE3 . LYS A 1 16 ? -7.015 -10.670 -11.398 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 1 -ATOM 219 H HZ1 . LYS A 1 16 ? -4.991 -8.654 -10.684 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 1 -ATOM 220 H HZ2 . LYS A 1 16 ? -6.045 -8.637 -12.008 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 1 -ATOM 221 H HZ3 . LYS A 1 16 ? -4.714 -9.687 -11.968 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 1 -ATOM 222 N N . GLU A 1 17 ? -8.382 -6.085 -5.891 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 1 -ATOM 223 C CA . GLU A 1 17 ? -8.956 -5.685 -4.631 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 1 -ATOM 224 C C . GLU A 1 17 ? -9.261 -4.184 -4.614 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 1 -ATOM 225 O O . GLU A 1 17 ? -10.281 -3.769 -4.114 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 1 -ATOM 226 C CB . GLU A 1 17 ? -8.023 -6.056 -3.493 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 1 -ATOM 227 C CG . GLU A 1 17 ? -7.657 -7.533 -3.470 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 1 -ATOM 228 C CD . GLU A 1 17 ? -8.867 -8.442 -3.437 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 1 -ATOM 229 O OE1 . GLU A 1 17 ? -9.773 -8.240 -2.597 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 1 -ATOM 230 O OE2 . GLU A 1 17 ? -8.965 -9.352 -4.283 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 1 -ATOM 231 H H . GLU A 1 17 ? -7.444 -6.384 -5.893 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 1 -ATOM 232 H HA . GLU A 1 17 ? -9.881 -6.229 -4.510 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 1 -ATOM 233 H HB2 . GLU A 1 17 ? -7.113 -5.482 -3.590 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 1 -ATOM 234 H HB3 . GLU A 1 17 ? -8.499 -5.809 -2.557 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 1 -ATOM 235 H HG2 . GLU A 1 17 ? -7.099 -7.749 -4.368 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 1 -ATOM 236 H HG3 . GLU A 1 17 ? -7.033 -7.725 -2.612 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 1 -ATOM 237 N N . TRP A 1 18 ? -8.378 -3.405 -5.201 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 1 -ATOM 238 C CA . TRP A 1 18 ? -8.499 -1.949 -5.292 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 1 -ATOM 239 C C . TRP A 1 18 ? -9.762 -1.553 -6.050 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 1 -ATOM 240 O O . TRP A 1 18 ? -10.515 -0.691 -5.621 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 1 -ATOM 241 C CB . TRP A 1 18 ? -7.259 -1.403 -6.018 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 1 -ATOM 242 C CG . TRP A 1 18 ? -7.226 0.077 -6.223 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 1 -ATOM 243 C CD1 . TRP A 1 18 ? -7.652 0.762 -7.321 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 1 -ATOM 244 C CD2 . TRP A 1 18 ? -6.720 1.050 -5.319 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 1 -ATOM 245 N NE1 . TRP A 1 18 ? -7.444 2.099 -7.149 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 1 -ATOM 246 C CE2 . TRP A 1 18 ? -6.873 2.304 -5.929 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 1 -ATOM 247 C CE3 . TRP A 1 18 ? -6.155 0.985 -4.048 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 1 -ATOM 248 C CZ2 . TRP A 1 18 ? -6.478 3.476 -5.319 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 1 -ATOM 249 C CZ3 . TRP A 1 18 ? -5.764 2.154 -3.442 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 1 -ATOM 250 C CH2 . TRP A 1 18 ? -5.928 3.381 -4.075 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 1 -ATOM 251 H H . TRP A 1 18 ? -7.568 -3.825 -5.570 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 1 -ATOM 252 H HA . TRP A 1 18 ? -8.526 -1.536 -4.295 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 1 -ATOM 253 H HB2 . TRP A 1 18 ? -6.375 -1.671 -5.460 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 1 -ATOM 254 H HB3 . TRP A 1 18 ? -7.206 -1.873 -6.990 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 1 -ATOM 255 H HD1 . TRP A 1 18 ? -8.093 0.295 -8.190 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 1 -ATOM 256 H HE1 . TRP A 1 18 ? -7.662 2.813 -7.790 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 1 -ATOM 257 H HE3 . TRP A 1 18 ? -6.021 0.040 -3.544 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 1 -ATOM 258 H HZ2 . TRP A 1 18 ? -6.601 4.432 -5.805 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 1 -ATOM 259 H HZ3 . TRP A 1 18 ? -5.323 2.129 -2.458 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 1 -ATOM 260 H HH2 . TRP A 1 18 ? -5.605 4.271 -3.556 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 1 -ATOM 261 N N . ARG A 1 19 ? -9.983 -2.194 -7.173 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 1 -ATOM 262 C CA . ARG A 1 19 ? -11.146 -1.916 -8.002 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 1 -ATOM 263 C C . ARG A 1 19 ? -12.414 -2.504 -7.390 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 1 -ATOM 264 O O . ARG A 1 19 ? -13.534 -2.074 -7.705 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 1 -ATOM 265 C CB . ARG A 1 19 ? -10.911 -2.419 -9.417 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 1 -ATOM 266 C CG . ARG A 1 19 ? -9.779 -1.686 -10.114 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 1 -ATOM 267 C CD . ARG A 1 19 ? -9.490 -2.271 -11.469 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 1 -ATOM 268 N NE . ARG A 1 19 ? -8.440 -1.534 -12.178 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 1 -ATOM 269 C CZ . ARG A 1 19 ? -7.942 -1.880 -13.370 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 1 -ATOM 270 N NH1 . ARG A 1 19 ? -8.350 -3.003 -13.961 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 1 -ATOM 271 N NH2 . ARG A 1 19 ? -7.041 -1.100 -13.965 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 1 -ATOM 272 H H . ARG A 1 19 ? -9.331 -2.873 -7.465 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 1 -ATOM 273 H HA . ARG A 1 19 ? -11.261 -0.842 -8.030 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 1 -ATOM 274 H HB2 . ARG A 1 19 ? -10.667 -3.471 -9.378 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 1 -ATOM 275 H HB3 . ARG A 1 19 ? -11.811 -2.289 -10.000 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 1 -ATOM 276 H HG2 . ARG A 1 19 ? -10.049 -0.646 -10.234 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 1 -ATOM 277 H HG3 . ARG A 1 19 ? -8.892 -1.757 -9.502 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 1 -ATOM 278 H HD2 . ARG A 1 19 ? -9.179 -3.297 -11.343 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 1 -ATOM 279 H HD3 . ARG A 1 19 ? -10.395 -2.241 -12.056 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 1 -ATOM 280 H HE . ARG A 1 19 ? -8.127 -0.724 -11.711 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 1 -ATOM 281 H HH11 . ARG A 1 19 ? -9.030 -3.610 -13.542 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 1 -ATOM 282 H HH12 . ARG A 1 19 ? -8.014 -3.312 -14.853 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 1 -ATOM 283 H HH21 . ARG A 1 19 ? -6.724 -0.244 -13.543 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 1 -ATOM 284 H HH22 . ARG A 1 19 ? -6.639 -1.337 -14.854 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 1 -ATOM 285 N N . LYS A 1 20 ? -12.223 -3.481 -6.528 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 1 -ATOM 286 C CA . LYS A 1 20 ? -13.301 -4.115 -5.776 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 1 -ATOM 287 C C . LYS A 1 20 ? -13.719 -3.207 -4.629 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 1 -ATOM 288 O O . LYS A 1 20 ? -14.887 -3.146 -4.263 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 1 -ATOM 289 C CB . LYS A 1 20 ? -12.787 -5.433 -5.204 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 1 -ATOM 290 C CG . LYS A 1 20 ? -13.778 -6.223 -4.361 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 1 -ATOM 291 C CD . LYS A 1 20 ? -13.093 -7.399 -3.674 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 1 -ATOM 292 C CE . LYS A 1 20 ? -12.436 -8.325 -4.680 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 1 -ATOM 293 N NZ . LYS A 1 20 ? -11.766 -9.464 -4.032 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 1 -ATOM 294 H H . LYS A 1 20 ? -11.306 -3.804 -6.398 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 1 -ATOM 295 H HA . LYS A 1 20 ? -14.139 -4.311 -6.426 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 1 -ATOM 296 H HB2 . LYS A 1 20 ? -12.486 -6.057 -6.032 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 1 -ATOM 297 H HB3 . LYS A 1 20 ? -11.917 -5.222 -4.598 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 1 -ATOM 298 H HG2 . LYS A 1 20 ? -14.206 -5.572 -3.612 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 1 -ATOM 299 H HG3 . LYS A 1 20 ? -14.560 -6.599 -5.003 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 1 -ATOM 300 H HD2 . LYS A 1 20 ? -12.335 -7.022 -3.005 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 1 -ATOM 301 H HD3 . LYS A 1 20 ? -13.828 -7.954 -3.110 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 1 -ATOM 302 H HE2 . LYS A 1 20 ? -13.190 -8.689 -5.361 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 1 -ATOM 303 H HE3 . LYS A 1 20 ? -11.703 -7.749 -5.225 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 1 -ATOM 304 H HZ1 . LYS A 1 20 ? -11.013 -9.119 -3.394 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 1 -ATOM 305 H HZ2 . LYS A 1 20 ? -11.291 -10.058 -4.740 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 1 -ATOM 306 H HZ3 . LYS A 1 20 ? -12.422 -10.054 -3.480 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 1 -ATOM 307 N N . LEU A 1 21 ? -12.738 -2.518 -4.079 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 1 -ATOM 308 C CA . LEU A 1 21 ? -12.907 -1.629 -2.950 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 1 -ATOM 309 C C . LEU A 1 21 ? -13.926 -0.542 -3.228 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 1 -ATOM 310 O O . LEU A 1 21 ? -14.110 -0.112 -4.382 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 1 -ATOM 311 C CB . LEU A 1 21 ? -11.575 -0.975 -2.578 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 1 -ATOM 312 C CG . LEU A 1 21 ? -10.985 -1.312 -1.208 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 1 -ATOM 313 C CD1 . LEU A 1 21 ? -10.687 -2.791 -1.076 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 1 -ATOM 314 C CD2 . LEU A 1 21 ? -9.735 -0.501 -0.985 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 1 -ATOM 315 H H . LEU A 1 21 ? -11.834 -2.627 -4.444 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 1 -ATOM 316 H HA . LEU A 1 21 ? -13.219 -2.247 -2.124 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 1 -ATOM 317 H HB2 . LEU A 1 21 ? -10.848 -1.250 -3.327 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 1 -ATOM 318 H HB3 . LEU A 1 21 ? -11.717 0.094 -2.625 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 1 -ATOM 319 H HG . LEU A 1 21 ? -11.689 -1.048 -0.434 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 1 -ATOM 320 H HD11 . LEU A 1 21 ? -9.970 -3.085 -1.827 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 1 -ATOM 321 H HD12 . LEU A 1 21 ? -11.600 -3.353 -1.211 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 1 -ATOM 322 H HD13 . LEU A 1 21 ? -10.284 -2.988 -0.094 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 1 -ATOM 323 H HD21 . LEU A 1 21 ? -9.320 -0.735 -0.015 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 1 -ATOM 324 H HD22 . LEU A 1 21 ? -9.984 0.549 -1.026 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 1 -ATOM 325 H HD23 . LEU A 1 21 ? -9.012 -0.731 -1.752 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 1 -ATOM 326 N N . GLY A 1 22 ? -14.574 -0.102 -2.171 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 1 -ATOM 327 C CA . GLY A 1 22 ? -15.540 0.954 -2.260 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 1 -ATOM 328 C C . GLY A 1 22 ? -14.904 2.207 -2.792 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 1 -ATOM 329 O O . GLY A 1 22 ? -13.765 2.520 -2.433 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 1 -ATOM 330 H H . GLY A 1 22 ? -14.377 -0.521 -1.307 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 1 -ATOM 331 H HA2 . GLY A 1 22 ? -16.333 0.642 -2.925 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 1 -ATOM 332 H HA3 . GLY A 1 22 ? -15.948 1.152 -1.280 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 1 -ATOM 333 N N . SER A 1 23 ? -15.622 2.910 -3.639 1.00 0.00 ? ? ? ? ? ? 20 SER A N 1 -ATOM 334 C CA . SER A 1 23 ? -15.143 4.097 -4.326 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 1 -ATOM 335 C C . SER A 1 23 ? -14.503 5.108 -3.357 1.00 0.00 ? ? ? ? ? ? 20 SER A C 1 -ATOM 336 O O . SER A 1 23 ? -13.353 5.485 -3.520 1.00 0.00 ? ? ? ? ? ? 20 SER A O 1 -ATOM 337 C CB . SER A 1 23 ? -16.318 4.725 -5.067 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 1 -ATOM 338 O OG . SER A 1 23 ? -17.000 3.735 -5.846 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 1 -ATOM 339 H H . SER A 1 23 ? -16.539 2.615 -3.823 1.00 0.00 ? ? ? ? ? ? 20 SER A H 1 -ATOM 340 H HA . SER A 1 23 ? -14.407 3.792 -5.056 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 1 -ATOM 341 H HB2 . SER A 1 23 ? -17.010 5.150 -4.354 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 1 -ATOM 342 H HB3 . SER A 1 23 ? -15.953 5.497 -5.727 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 1 -ATOM 343 H HG . SER A 1 23 ? -16.683 3.829 -6.754 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 1 -ATOM 344 N N . THR A 1 24 ? -15.225 5.449 -2.323 1.00 0.00 ? ? ? ? ? ? 21 THR A N 1 -ATOM 345 C CA . THR A 1 24 ? -14.790 6.424 -1.342 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 1 -ATOM 346 C C . THR A 1 24 ? -13.608 5.882 -0.512 1.00 0.00 ? ? ? ? ? ? 21 THR A C 1 -ATOM 347 O O . THR A 1 24 ? -12.727 6.641 -0.073 1.00 0.00 ? ? ? ? ? ? 21 THR A O 1 -ATOM 348 C CB . THR A 1 24 ? -15.972 6.779 -0.420 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 1 -ATOM 349 O OG1 . THR A 1 24 ? -17.111 7.143 -1.237 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 1 -ATOM 350 C CG2 . THR A 1 24 ? -15.631 7.947 0.490 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 1 -ATOM 351 H H . THR A 1 24 ? -16.096 5.019 -2.209 1.00 0.00 ? ? ? ? ? ? 21 THR A H 1 -ATOM 352 H HA . THR A 1 24 ? -14.482 7.318 -1.866 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 1 -ATOM 353 H HB . THR A 1 24 ? -16.209 5.908 0.173 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 1 -ATOM 354 H HG1 . THR A 1 24 ? -17.673 6.359 -1.298 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 1 -ATOM 355 H HG21 . THR A 1 24 ? -14.778 7.692 1.101 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 1 -ATOM 356 H HG22 . THR A 1 24 ? -16.478 8.158 1.127 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 1 -ATOM 357 H HG23 . THR A 1 24 ? -15.402 8.817 -0.107 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 1 -ATOM 358 N N . VAL A 1 25 ? -13.578 4.575 -0.342 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 1 -ATOM 359 C CA . VAL A 1 25 ? -12.542 3.923 0.424 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 1 -ATOM 360 C C . VAL A 1 25 ? -11.234 3.950 -0.361 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 1 -ATOM 361 O O . VAL A 1 25 ? -10.197 4.398 0.140 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 1 -ATOM 362 C CB . VAL A 1 25 ? -12.946 2.447 0.702 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 1 -ATOM 363 C CG1 . VAL A 1 25 ? -11.859 1.691 1.433 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 1 -ATOM 364 C CG2 . VAL A 1 25 ? -14.243 2.388 1.486 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 1 -ATOM 365 H H . VAL A 1 25 ? -14.268 4.022 -0.764 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 1 -ATOM 366 H HA . VAL A 1 25 ? -12.416 4.435 1.366 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 1 -ATOM 367 H HB . VAL A 1 25 ? -13.117 1.972 -0.254 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 1 -ATOM 368 H HG11 . VAL A 1 25 ? -12.144 0.654 1.534 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 1 -ATOM 369 H HG12 . VAL A 1 25 ? -11.748 2.112 2.421 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 1 -ATOM 370 H HG13 . VAL A 1 25 ? -10.927 1.764 0.893 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 1 -ATOM 371 H HG21 . VAL A 1 25 ? -14.508 1.357 1.668 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 1 -ATOM 372 H HG22 . VAL A 1 25 ? -15.026 2.865 0.915 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 1 -ATOM 373 H HG23 . VAL A 1 25 ? -14.117 2.901 2.429 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 1 -ATOM 374 N N . ARG A 1 26 ? -11.305 3.555 -1.613 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 1 -ATOM 375 C CA . ARG A 1 26 ? -10.136 3.549 -2.451 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 1 -ATOM 376 C C . ARG A 1 26 ? -9.660 4.949 -2.767 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 1 -ATOM 377 O O . ARG A 1 26 ? -8.468 5.179 -2.897 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 1 -ATOM 378 C CB . ARG A 1 26 ? -10.282 2.701 -3.702 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 1 -ATOM 379 C CG . ARG A 1 26 ? -11.470 3.014 -4.579 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 1 -ATOM 380 C CD . ARG A 1 26 ? -11.195 2.497 -5.962 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 1 -ATOM 381 N NE . ARG A 1 26 ? -12.332 2.635 -6.884 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 1 -ATOM 382 C CZ . ARG A 1 26 ? -12.248 2.410 -8.208 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 1 -ATOM 383 N NH1 . ARG A 1 26 ? -11.070 2.146 -8.763 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 1 -ATOM 384 N NH2 . ARG A 1 26 ? -13.334 2.468 -8.974 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 1 -ATOM 385 H H . ARG A 1 26 ? -12.169 3.254 -1.973 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 1 -ATOM 386 H HA . ARG A 1 26 ? -9.362 3.114 -1.835 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 1 -ATOM 387 H HB2 . ARG A 1 26 ? -9.391 2.804 -4.302 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 1 -ATOM 388 H HB3 . ARG A 1 26 ? -10.365 1.669 -3.390 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 1 -ATOM 389 H HG2 . ARG A 1 26 ? -12.316 2.478 -4.170 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 1 -ATOM 390 H HG3 . ARG A 1 26 ? -11.698 4.071 -4.585 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 1 -ATOM 391 H HD2 . ARG A 1 26 ? -10.352 3.061 -6.336 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 1 -ATOM 392 H HD3 . ARG A 1 26 ? -10.915 1.455 -5.890 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 1 -ATOM 393 H HE . ARG A 1 26 ? -13.184 2.868 -6.461 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 1 -ATOM 394 H HH11 . ARG A 1 26 ? -10.222 2.113 -8.230 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 1 -ATOM 395 H HH12 . ARG A 1 26 ? -10.973 1.970 -9.748 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 1 -ATOM 396 H HH21 . ARG A 1 26 ? -14.248 2.677 -8.618 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 1 -ATOM 397 H HH22 . ARG A 1 26 ? -13.260 2.282 -9.959 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 1 -ATOM 398 N N . GLU A 1 27 ? -10.594 5.880 -2.919 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 1 -ATOM 399 C CA . GLU A 1 27 ? -10.256 7.279 -3.126 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 1 -ATOM 400 C C . GLU A 1 27 ? -9.402 7.809 -2.003 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 1 -ATOM 401 O O . GLU A 1 27 ? -8.368 8.407 -2.252 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 1 -ATOM 402 C CB . GLU A 1 27 ? -11.508 8.133 -3.294 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 1 -ATOM 403 C CG . GLU A 1 27 ? -12.076 8.118 -4.704 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 1 -ATOM 404 C CD . GLU A 1 27 ? -11.161 8.770 -5.726 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 1 -ATOM 405 O OE1 . GLU A 1 27 ? -10.267 8.078 -6.289 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 1 -ATOM 406 O OE2 . GLU A 1 27 ? -11.322 9.986 -5.995 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 1 -ATOM 407 H H . GLU A 1 27 ? -11.542 5.621 -2.915 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 1 -ATOM 408 H HA . GLU A 1 27 ? -9.679 7.338 -4.037 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 1 -ATOM 409 H HB2 . GLU A 1 27 ? -12.257 7.714 -2.637 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 1 -ATOM 410 H HB3 . GLU A 1 27 ? -11.322 9.147 -2.978 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 1 -ATOM 411 H HG2 . GLU A 1 27 ? -12.209 7.085 -4.994 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 1 -ATOM 412 H HG3 . GLU A 1 27 ? -13.028 8.624 -4.704 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 1 -ATOM 413 N N . GLN A 1 28 ? -9.789 7.534 -0.779 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 1 -ATOM 414 C CA . GLN A 1 28 ? -9.046 8.026 0.360 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 1 -ATOM 415 C C . GLN A 1 28 ? -7.706 7.332 0.500 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 1 -ATOM 416 O O . GLN A 1 28 ? -6.715 7.969 0.838 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 1 -ATOM 417 C CB . GLN A 1 28 ? -9.871 7.956 1.625 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 1 -ATOM 418 C CG . GLN A 1 28 ? -11.010 8.950 1.629 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 1 -ATOM 419 C CD . GLN A 1 28 ? -11.922 8.778 2.802 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 1 -ATOM 420 O OE1 . GLN A 1 28 ? -11.725 9.374 3.868 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 1 -ATOM 421 N NE2 . GLN A 1 28 ? -12.920 7.973 2.619 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 1 -ATOM 422 H H . GLN A 1 28 ? -10.581 6.972 -0.632 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 1 -ATOM 423 H HA . GLN A 1 28 ? -8.836 9.065 0.146 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 1 -ATOM 424 H HB2 . GLN A 1 28 ? -10.286 6.962 1.710 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 1 -ATOM 425 H HB3 . GLN A 1 28 ? -9.241 8.150 2.479 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 1 -ATOM 426 H HG2 . GLN A 1 28 ? -10.603 9.949 1.652 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 1 -ATOM 427 H HG3 . GLN A 1 28 ? -11.583 8.819 0.723 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 1 -ATOM 428 H HE21 . GLN A 1 28 ? -12.976 7.557 1.728 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 1 -ATOM 429 H HE22 . GLN A 1 28 ? -13.560 7.821 3.346 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 1 -ATOM 430 N N . LEU A 1 29 ? -7.666 6.042 0.202 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 1 -ATOM 431 C CA . LEU A 1 29 ? -6.408 5.307 0.204 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 1 -ATOM 432 C C . LEU A 1 29 ? -5.476 5.851 -0.865 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 1 -ATOM 433 O O . LEU A 1 29 ? -4.286 6.021 -0.627 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 1 -ATOM 434 C CB . LEU A 1 29 ? -6.634 3.812 0.001 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 1 -ATOM 435 C CG . LEU A 1 29 ? -7.276 3.061 1.176 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 1 -ATOM 436 C CD1 . LEU A 1 29 ? -7.546 1.626 0.800 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 1 -ATOM 437 C CD2 . LEU A 1 29 ? -6.373 3.111 2.403 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 1 -ATOM 438 H H . LEU A 1 29 ? -8.501 5.572 -0.010 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 1 -ATOM 439 H HA . LEU A 1 29 ? -5.942 5.469 1.164 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 1 -ATOM 440 H HB2 . LEU A 1 29 ? -7.259 3.707 -0.874 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 1 -ATOM 441 H HB3 . LEU A 1 29 ? -5.677 3.358 -0.213 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 1 -ATOM 442 H HG . LEU A 1 29 ? -8.223 3.514 1.432 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 1 -ATOM 443 H HD11 . LEU A 1 29 ? -8.010 1.116 1.630 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 1 -ATOM 444 H HD12 . LEU A 1 29 ? -6.613 1.139 0.551 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 1 -ATOM 445 H HD13 . LEU A 1 29 ? -8.205 1.597 -0.055 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 1 -ATOM 446 H HD21 . LEU A 1 29 ? -6.262 4.131 2.738 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 1 -ATOM 447 H HD22 . LEU A 1 29 ? -5.402 2.719 2.143 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 1 -ATOM 448 H HD23 . LEU A 1 29 ? -6.800 2.513 3.194 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 1 -ATOM 449 N N . LYS A 1 30 ? -6.036 6.150 -2.031 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 1 -ATOM 450 C CA . LYS A 1 30 ? -5.283 6.742 -3.124 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 1 -ATOM 451 C C . LYS A 1 30 ? -4.694 8.084 -2.701 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 1 -ATOM 452 O O . LYS A 1 30 ? -3.530 8.367 -2.955 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 1 -ATOM 453 C CB . LYS A 1 30 ? -6.203 6.967 -4.311 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 1 -ATOM 454 C CG . LYS A 1 30 ? -5.497 7.507 -5.536 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 1 -ATOM 455 C CD . LYS A 1 30 ? -6.480 7.940 -6.599 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 1 -ATOM 456 C CE . LYS A 1 30 ? -7.145 9.257 -6.225 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 1 -ATOM 457 N NZ . LYS A 1 30 ? -8.219 9.622 -7.170 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 1 -ATOM 458 H H . LYS A 1 30 ? -6.985 5.927 -2.184 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 1 -ATOM 459 H HA . LYS A 1 30 ? -4.489 6.072 -3.418 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 1 -ATOM 460 H HB2 . LYS A 1 30 ? -6.648 6.015 -4.562 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 1 -ATOM 461 H HB3 . LYS A 1 30 ? -6.994 7.638 -4.016 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 1 -ATOM 462 H HG2 . LYS A 1 30 ? -4.919 8.363 -5.221 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 1 -ATOM 463 H HG3 . LYS A 1 30 ? -4.840 6.747 -5.931 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 1 -ATOM 464 H HD2 . LYS A 1 30 ? -5.949 8.059 -7.531 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 1 -ATOM 465 H HD3 . LYS A 1 30 ? -7.237 7.179 -6.709 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 1 -ATOM 466 H HE2 . LYS A 1 30 ? -7.562 9.172 -5.233 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 1 -ATOM 467 H HE3 . LYS A 1 30 ? -6.394 10.036 -6.214 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 1 -ATOM 468 H HZ1 . LYS A 1 30 ? -9.050 9.005 -7.021 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 1 -ATOM 469 H HZ2 . LYS A 1 30 ? -7.905 9.523 -8.157 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 1 -ATOM 470 H HZ3 . LYS A 1 30 ? -8.514 10.608 -7.023 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 1 -ATOM 471 N N . LYS A 1 31 ? -5.504 8.887 -2.035 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 1 -ATOM 472 C CA . LYS A 1 31 ? -5.075 10.194 -1.546 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 1 -ATOM 473 C C . LYS A 1 31 ? -3.979 10.043 -0.508 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 1 -ATOM 474 O O . LYS A 1 31 ? -3.068 10.874 -0.433 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 1 -ATOM 475 C CB . LYS A 1 31 ? -6.249 10.965 -0.964 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 1 -ATOM 476 C CG . LYS A 1 31 ? -7.366 11.203 -1.954 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 1 -ATOM 477 C CD . LYS A 1 31 ? -8.545 11.865 -1.294 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 1 -ATOM 478 C CE . LYS A 1 31 ? -9.732 11.923 -2.223 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 1 -ATOM 479 N NZ . LYS A 1 31 ? -10.875 12.605 -1.602 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 1 -ATOM 480 H H . LYS A 1 31 ? -6.428 8.587 -1.892 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 1 -ATOM 481 H HA . LYS A 1 31 ? -4.678 10.741 -2.388 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 1 -ATOM 482 H HB2 . LYS A 1 31 ? -6.650 10.410 -0.128 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 1 -ATOM 483 H HB3 . LYS A 1 31 ? -5.897 11.924 -0.615 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 1 -ATOM 484 H HG2 . LYS A 1 31 ? -7.004 11.838 -2.748 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 1 -ATOM 485 H HG3 . LYS A 1 31 ? -7.676 10.252 -2.362 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 1 -ATOM 486 H HD2 . LYS A 1 31 ? -8.817 11.317 -0.405 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 1 -ATOM 487 H HD3 . LYS A 1 31 ? -8.260 12.873 -1.029 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 1 -ATOM 488 H HE2 . LYS A 1 31 ? -9.448 12.455 -3.119 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 1 -ATOM 489 H HE3 . LYS A 1 31 ? -10.020 10.915 -2.483 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 1 -ATOM 490 H HZ1 . LYS A 1 31 ? -11.694 12.609 -2.239 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 1 -ATOM 491 H HZ2 . LYS A 1 31 ? -10.645 13.601 -1.415 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 1 -ATOM 492 H HZ3 . LYS A 1 31 ? -11.166 12.151 -0.713 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 1 -ATOM 493 N N . LYS A 1 32 ? -4.077 8.988 0.293 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 1 -ATOM 494 C CA . LYS A 1 32 ? -3.057 8.658 1.261 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 1 -ATOM 495 C C . LYS A 1 32 ? -1.757 8.312 0.597 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 1 -ATOM 496 O O . LYS A 1 32 ? -0.700 8.705 1.070 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 1 -ATOM 497 C CB . LYS A 1 32 ? -3.505 7.557 2.223 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 1 -ATOM 498 C CG . LYS A 1 32 ? -4.563 7.996 3.222 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 1 -ATOM 499 C CD . LYS A 1 32 ? -4.022 9.110 4.088 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 1 -ATOM 500 C CE . LYS A 1 32 ? -5.016 9.585 5.112 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 1 -ATOM 501 N NZ . LYS A 1 32 ? -4.442 10.653 5.951 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 1 -ATOM 502 H H . LYS A 1 32 ? -4.883 8.429 0.262 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 1 -ATOM 503 H HA . LYS A 1 32 ? -2.864 9.552 1.821 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 1 -ATOM 504 H HB2 . LYS A 1 32 ? -3.901 6.731 1.651 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 1 -ATOM 505 H HB3 . LYS A 1 32 ? -2.639 7.220 2.772 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 1 -ATOM 506 H HG2 . LYS A 1 32 ? -5.430 8.353 2.684 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 1 -ATOM 507 H HG3 . LYS A 1 32 ? -4.837 7.160 3.847 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 1 -ATOM 508 H HD2 . LYS A 1 32 ? -3.127 8.777 4.590 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 1 -ATOM 509 H HD3 . LYS A 1 32 ? -3.783 9.937 3.437 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 1 -ATOM 510 H HE2 . LYS A 1 32 ? -5.891 9.964 4.605 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 1 -ATOM 511 H HE3 . LYS A 1 32 ? -5.293 8.752 5.743 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 1 -ATOM 512 H HZ1 . LYS A 1 32 ? -3.639 10.315 6.518 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 1 -ATOM 513 H HZ2 . LYS A 1 32 ? -5.154 11.052 6.598 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 1 -ATOM 514 H HZ3 . LYS A 1 32 ? -4.101 11.433 5.351 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 1 -ATOM 515 N N . LEU A 1 33 ? -1.841 7.602 -0.493 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 1 -ATOM 516 C CA . LEU A 1 33 ? -0.677 7.270 -1.279 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 1 -ATOM 517 C C . LEU A 1 33 ? -0.057 8.542 -1.832 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 1 -ATOM 518 O O . LEU A 1 33 ? 1.153 8.727 -1.790 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 1 -ATOM 519 C CB . LEU A 1 33 ? -1.061 6.336 -2.422 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 1 -ATOM 520 C CG . LEU A 1 33 ? -1.684 5.009 -2.011 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 1 -ATOM 521 C CD1 . LEU A 1 33 ? -2.063 4.198 -3.229 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 1 -ATOM 522 C CD2 . LEU A 1 33 ? -0.742 4.233 -1.104 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 1 -ATOM 523 H H . LEU A 1 33 ? -2.722 7.265 -0.766 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 1 -ATOM 524 H HA . LEU A 1 33 ? 0.034 6.771 -0.638 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 1 -ATOM 525 H HB2 . LEU A 1 33 ? -1.765 6.858 -3.055 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 1 -ATOM 526 H HB3 . LEU A 1 33 ? -0.172 6.128 -3.001 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 1 -ATOM 527 H HG . LEU A 1 33 ? -2.592 5.209 -1.460 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 1 -ATOM 528 H HD11 . LEU A 1 33 ? -1.184 4.017 -3.827 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 1 -ATOM 529 H HD12 . LEU A 1 33 ? -2.786 4.746 -3.815 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 1 -ATOM 530 H HD13 . LEU A 1 33 ? -2.490 3.256 -2.922 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 1 -ATOM 531 H HD21 . LEU A 1 33 ? -0.581 4.800 -0.198 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 1 -ATOM 532 H HD22 . LEU A 1 33 ? 0.203 4.081 -1.606 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 1 -ATOM 533 H HD23 . LEU A 1 33 ? -1.181 3.278 -0.859 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 1 -ATOM 534 N N . VAL A 1 34 ? -0.909 9.430 -2.309 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 1 -ATOM 535 C CA . VAL A 1 34 ? -0.472 10.691 -2.869 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 1 -ATOM 536 C C . VAL A 1 34 ? 0.228 11.571 -1.808 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 1 -ATOM 537 O O . VAL A 1 34 ? 1.312 12.112 -2.063 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 1 -ATOM 538 C CB . VAL A 1 34 ? -1.679 11.452 -3.512 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 1 -ATOM 539 C CG1 . VAL A 1 34 ? -1.285 12.846 -3.964 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 1 -ATOM 540 C CG2 . VAL A 1 34 ? -2.218 10.662 -4.690 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 1 -ATOM 541 H H . VAL A 1 34 ? -1.866 9.207 -2.287 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 1 -ATOM 542 H HA . VAL A 1 34 ? 0.240 10.468 -3.649 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 1 -ATOM 543 H HB . VAL A 1 34 ? -2.476 11.538 -2.786 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 1 -ATOM 544 H HG11 . VAL A 1 34 ? -0.489 12.780 -4.690 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 1 -ATOM 545 H HG12 . VAL A 1 34 ? -0.951 13.405 -3.102 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 1 -ATOM 546 H HG13 . VAL A 1 34 ? -2.143 13.335 -4.401 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 1 -ATOM 547 H HG21 . VAL A 1 34 ? -1.442 10.525 -5.428 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 1 -ATOM 548 H HG22 . VAL A 1 34 ? -3.054 11.188 -5.125 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 1 -ATOM 549 H HG23 . VAL A 1 34 ? -2.546 9.700 -4.323 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 1 -ATOM 550 N N . GLU A 1 35 ? -0.359 11.684 -0.624 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 1 -ATOM 551 C CA . GLU A 1 35 ? 0.258 12.465 0.442 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 1 -ATOM 552 C C . GLU A 1 35 ? 1.520 11.805 0.995 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 1 -ATOM 553 O O . GLU A 1 35 ? 2.512 12.474 1.243 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 1 -ATOM 554 C CB . GLU A 1 35 ? -0.734 12.841 1.559 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 1 -ATOM 555 C CG . GLU A 1 35 ? -1.409 11.667 2.224 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 1 -ATOM 556 C CD . GLU A 1 35 ? -2.359 12.063 3.327 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 1 -ATOM 557 O OE1 . GLU A 1 35 ? -3.429 12.624 3.032 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 1 -ATOM 558 O OE2 . GLU A 1 35 ? -2.059 11.796 4.515 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 1 -ATOM 559 H H . GLU A 1 35 ? -1.227 11.249 -0.466 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 1 -ATOM 560 H HA . GLU A 1 35 ? 0.586 13.374 -0.039 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 1 -ATOM 561 H HB2 . GLU A 1 35 ? -0.218 13.410 2.318 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 1 -ATOM 562 H HB3 . GLU A 1 35 ? -1.499 13.458 1.112 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 1 -ATOM 563 H HG2 . GLU A 1 35 ? -1.968 11.163 1.451 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 1 -ATOM 564 H HG3 . GLU A 1 35 ? -0.655 11.002 2.617 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 1 -ATOM 565 N N . VAL A 1 36 ? 1.488 10.481 1.131 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 1 -ATOM 566 C CA . VAL A 1 36 ? 2.596 9.739 1.705 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 1 -ATOM 567 C C . VAL A 1 36 ? 3.864 9.870 0.859 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 1 -ATOM 568 O O . VAL A 1 36 ? 4.941 9.832 1.378 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 1 -ATOM 569 C CB . VAL A 1 36 ? 2.268 8.247 2.038 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 1 -ATOM 570 C CG1 . VAL A 1 36 ? 2.363 7.322 0.832 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 1 -ATOM 571 C CG2 . VAL A 1 36 ? 3.115 7.754 3.199 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 1 -ATOM 572 H H . VAL A 1 36 ? 0.689 9.981 0.848 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 1 -ATOM 573 H HA . VAL A 1 36 ? 2.814 10.254 2.631 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 1 -ATOM 574 H HB . VAL A 1 36 ? 1.236 8.226 2.358 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 1 -ATOM 575 H HG11 . VAL A 1 36 ? 1.704 7.682 0.055 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 1 -ATOM 576 H HG12 . VAL A 1 36 ? 2.070 6.323 1.118 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 1 -ATOM 577 H HG13 . VAL A 1 36 ? 3.378 7.309 0.465 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 1 -ATOM 578 H HG21 . VAL A 1 36 ? 2.884 8.333 4.080 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 1 -ATOM 579 H HG22 . VAL A 1 36 ? 4.160 7.881 2.960 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 1 -ATOM 580 H HG23 . VAL A 1 36 ? 2.906 6.711 3.387 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 1 -ATOM 581 N N . LEU A 1 37 ? 3.703 10.046 -0.454 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 1 -ATOM 582 C CA . LEU A 1 37 ? 4.828 10.172 -1.398 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 1 -ATOM 583 C C . LEU A 1 37 ? 5.849 11.256 -1.016 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 1 -ATOM 584 O O . LEU A 1 37 ? 7.000 11.176 -1.451 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 1 -ATOM 585 C CB . LEU A 1 37 ? 4.337 10.395 -2.836 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 1 -ATOM 586 C CG . LEU A 1 37 ? 3.633 9.210 -3.507 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 1 -ATOM 587 C CD1 . LEU A 1 37 ? 3.132 9.594 -4.887 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 1 -ATOM 588 C CD2 . LEU A 1 37 ? 4.574 8.014 -3.602 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 1 -ATOM 589 H H . LEU A 1 37 ? 2.790 10.063 -0.809 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 1 -ATOM 590 H HA . LEU A 1 37 ? 5.361 9.234 -1.376 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 1 -ATOM 591 H HB2 . LEU A 1 37 ? 3.651 11.230 -2.828 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 1 -ATOM 592 H HB3 . LEU A 1 37 ? 5.190 10.665 -3.442 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 1 -ATOM 593 H HG . LEU A 1 37 ? 2.780 8.921 -2.911 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 1 -ATOM 594 H HD11 . LEU A 1 37 ? 2.437 10.417 -4.805 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 1 -ATOM 595 H HD12 . LEU A 1 37 ? 2.633 8.748 -5.337 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 1 -ATOM 596 H HD13 . LEU A 1 37 ? 3.970 9.888 -5.504 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 1 -ATOM 597 H HD21 . LEU A 1 37 ? 4.086 7.208 -4.130 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 1 -ATOM 598 H HD22 . LEU A 1 37 ? 4.836 7.676 -2.611 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 1 -ATOM 599 H HD23 . LEU A 1 37 ? 5.469 8.300 -4.134 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 1 -ATOM 600 N N . GLU A 1 38 ? 5.436 12.275 -0.239 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 1 -ATOM 601 C CA . GLU A 1 38 ? 6.380 13.316 0.207 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 1 -ATOM 602 C C . GLU A 1 38 ? 7.439 12.720 1.164 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 1 -ATOM 603 O O . GLU A 1 38 ? 8.559 13.222 1.267 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 1 -ATOM 604 C CB . GLU A 1 38 ? 5.663 14.490 0.901 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 1 -ATOM 605 C CG . GLU A 1 38 ? 4.966 14.124 2.204 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 1 -ATOM 606 C CD . GLU A 1 38 ? 4.438 15.321 2.944 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 1 -ATOM 607 O OE1 . GLU A 1 38 ? 5.211 15.951 3.701 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 1 -ATOM 608 O OE2 . GLU A 1 38 ? 3.247 15.652 2.810 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 1 -ATOM 609 H H . GLU A 1 38 ? 4.497 12.311 0.051 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 1 -ATOM 610 H HA . GLU A 1 38 ? 6.891 13.680 -0.673 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 1 -ATOM 611 H HB2 . GLU A 1 38 ? 6.388 15.261 1.117 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 1 -ATOM 612 H HB3 . GLU A 1 38 ? 4.923 14.888 0.224 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 1 -ATOM 613 H HG2 . GLU A 1 38 ? 4.138 13.467 1.985 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 1 -ATOM 614 H HG3 . GLU A 1 38 ? 5.672 13.607 2.838 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 1 -ATOM 615 N N . SER A 1 39 ? 7.071 11.665 1.851 1.00 0.00 ? ? ? ? ? ? 36 SER A N 1 -ATOM 616 C CA . SER A 1 39 ? 7.936 10.983 2.770 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 1 -ATOM 617 C C . SER A 1 39 ? 7.360 9.583 2.974 1.00 0.00 ? ? ? ? ? ? 36 SER A C 1 -ATOM 618 O O . SER A 1 39 ? 6.643 9.341 3.912 1.00 0.00 ? ? ? ? ? ? 36 SER A O 1 -ATOM 619 C CB . SER A 1 39 ? 8.024 11.760 4.114 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 1 -ATOM 620 O OG . SER A 1 39 ? 9.063 11.264 4.971 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 1 -ATOM 621 H H . SER A 1 39 ? 6.168 11.291 1.724 1.00 0.00 ? ? ? ? ? ? 36 SER A H 1 -ATOM 622 H HA . SER A 1 39 ? 8.917 10.889 2.333 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 1 -ATOM 623 H HB2 . SER A 1 39 ? 8.223 12.801 3.909 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 1 -ATOM 624 H HB3 . SER A 1 39 ? 7.079 11.675 4.630 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 1 -ATOM 625 H HG . SER A 1 39 ? 9.900 11.588 4.623 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 1 -ATOM 626 N N . PRO A 1 40 ? 7.573 8.662 2.009 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 1 -ATOM 627 C CA . PRO A 1 40 ? 6.995 7.318 2.078 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 1 -ATOM 628 C C . PRO A 1 40 ? 7.560 6.492 3.223 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 1 -ATOM 629 O O . PRO A 1 40 ? 6.898 5.596 3.747 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 1 -ATOM 630 C CB . PRO A 1 40 ? 7.349 6.704 0.723 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 1 -ATOM 631 C CG . PRO A 1 40 ? 8.533 7.470 0.268 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 1 -ATOM 632 C CD . PRO A 1 40 ? 8.319 8.868 0.759 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 1 -ATOM 633 H HA . PRO A 1 40 ? 5.922 7.365 2.183 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 1 -ATOM 634 H HB2 . PRO A 1 40 ? 7.573 5.655 0.843 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 1 -ATOM 635 H HB3 . PRO A 1 40 ? 6.518 6.829 0.043 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 1 -ATOM 636 H HG2 . PRO A 1 40 ? 9.428 7.050 0.704 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 1 -ATOM 637 H HG3 . PRO A 1 40 ? 8.595 7.454 -0.810 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 1 -ATOM 638 H HD2 . PRO A 1 40 ? 9.260 9.364 0.936 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 1 -ATOM 639 H HD3 . PRO A 1 40 ? 7.715 9.426 0.054 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 1 -ATOM 640 N N . ARG A 1 41 ? 8.760 6.823 3.634 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 1 -ATOM 641 C CA . ARG A 1 41 ? 9.419 6.118 4.695 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 1 -ATOM 642 C C . ARG A 1 41 ? 9.077 6.667 6.087 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 1 -ATOM 643 O O . ARG A 1 41 ? 9.923 7.161 6.821 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 1 -ATOM 644 C CB . ARG A 1 41 ? 10.936 5.931 4.417 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 1 -ATOM 645 C CG . ARG A 1 41 ? 11.679 7.153 3.862 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 1 -ATOM 646 C CD . ARG A 1 41 ? 11.901 8.247 4.889 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 1 -ATOM 647 N NE . ARG A 1 41 ? 12.620 9.384 4.316 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 1 -ATOM 648 C CZ . ARG A 1 41 ? 13.571 10.093 4.937 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 1 -ATOM 649 N NH1 . ARG A 1 41 ? 13.942 9.779 6.180 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 1 -ATOM 650 N NH2 . ARG A 1 41 ? 14.161 11.102 4.298 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 1 -ATOM 651 H H . ARG A 1 41 ? 9.196 7.590 3.209 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 1 -ATOM 652 H HA . ARG A 1 41 ? 8.958 5.140 4.671 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 1 -ATOM 653 H HB2 . ARG A 1 41 ? 11.415 5.654 5.344 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 1 -ATOM 654 H HB3 . ARG A 1 41 ? 11.055 5.116 3.718 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 1 -ATOM 655 H HG2 . ARG A 1 41 ? 12.637 6.840 3.479 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 1 -ATOM 656 H HG3 . ARG A 1 41 ? 11.097 7.555 3.046 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 1 -ATOM 657 H HD2 . ARG A 1 41 ? 10.943 8.582 5.257 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 1 -ATOM 658 H HD3 . ARG A 1 41 ? 12.481 7.838 5.701 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 1 -ATOM 659 H HE . ARG A 1 41 ? 12.363 9.592 3.389 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 1 -ATOM 660 H HH11 . ARG A 1 41 ? 13.523 9.016 6.680 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 1 -ATOM 661 H HH12 . ARG A 1 41 ? 14.672 10.260 6.677 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 1 -ATOM 662 H HH21 . ARG A 1 41 ? 13.897 11.345 3.359 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 1 -ATOM 663 H HH22 . ARG A 1 41 ? 14.908 11.648 4.687 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 1 -ATOM 664 N N . ILE A 1 42 ? 7.807 6.608 6.407 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 1 -ATOM 665 C CA . ILE A 1 42 ? 7.310 7.043 7.694 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 1 -ATOM 666 C C . ILE A 1 42 ? 7.328 5.882 8.664 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 1 -ATOM 667 O O . ILE A 1 42 ? 6.611 4.890 8.479 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 1 -ATOM 668 C CB . ILE A 1 42 ? 5.875 7.651 7.589 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 1 -ATOM 669 C CG1 . ILE A 1 42 ? 5.934 8.930 6.762 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 1 -ATOM 670 C CG2 . ILE A 1 42 ? 5.278 7.935 8.974 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 1 -ATOM 671 C CD1 . ILE A 1 42 ? 4.598 9.571 6.474 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 1 -ATOM 672 H H . ILE A 1 42 ? 7.192 6.248 5.732 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 1 -ATOM 673 H HA . ILE A 1 42 ? 7.986 7.803 8.057 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 1 -ATOM 674 H HB . ILE A 1 42 ? 5.240 6.942 7.082 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 1 -ATOM 675 H HG12 . ILE A 1 42 ? 6.528 9.658 7.294 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 1 -ATOM 676 H HG13 . ILE A 1 42 ? 6.412 8.714 5.818 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 1 -ATOM 677 H HG21 . ILE A 1 42 ? 5.222 7.012 9.533 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 1 -ATOM 678 H HG22 . ILE A 1 42 ? 4.287 8.348 8.861 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 1 -ATOM 679 H HG23 . ILE A 1 42 ? 5.900 8.640 9.503 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 1 -ATOM 680 H HD11 . ILE A 1 42 ? 4.770 10.441 5.855 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 1 -ATOM 681 H HD12 . ILE A 1 42 ? 4.127 9.865 7.401 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 1 -ATOM 682 H HD13 . ILE A 1 42 ? 3.967 8.873 5.944 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 1 -ATOM 683 N N . GLU A 1 43 ? 8.136 6.016 9.695 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 1 -ATOM 684 C CA . GLU A 1 43 ? 8.321 4.992 10.718 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 1 -ATOM 685 C C . GLU A 1 43 ? 6.999 4.572 11.374 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 1 -ATOM 686 O O . GLU A 1 43 ? 6.833 3.419 11.752 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 1 -ATOM 687 C CB . GLU A 1 43 ? 9.297 5.486 11.777 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 1 -ATOM 688 C CG . GLU A 1 43 ? 8.871 6.771 12.464 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 1 -ATOM 689 C CD . GLU A 1 43 ? 9.801 7.146 13.562 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 1 -ATOM 690 O OE1 . GLU A 1 43 ? 9.718 6.544 14.653 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 1 -ATOM 691 O OE2 . GLU A 1 43 ? 10.646 8.034 13.363 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 1 -ATOM 692 H H . GLU A 1 43 ? 8.665 6.842 9.771 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 1 -ATOM 693 H HA . GLU A 1 43 ? 8.756 4.128 10.237 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 1 -ATOM 694 H HB2 . GLU A 1 43 ? 9.408 4.726 12.536 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 1 -ATOM 695 H HB3 . GLU A 1 43 ? 10.256 5.657 11.311 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 1 -ATOM 696 H HG2 . GLU A 1 43 ? 8.856 7.568 11.734 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 1 -ATOM 697 H HG3 . GLU A 1 43 ? 7.879 6.642 12.871 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 1 -ATOM 698 N N . ALA A 1 44 ? 6.059 5.503 11.455 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 1 -ATOM 699 C CA . ALA A 1 44 ? 4.759 5.260 12.072 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 1 -ATOM 700 C C . ALA A 1 44 ? 3.873 4.387 11.189 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 1 -ATOM 701 O O . ALA A 1 44 ? 2.903 3.806 11.651 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 1 -ATOM 702 C CB . ALA A 1 44 ? 4.068 6.579 12.371 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 1 -ATOM 703 H H . ALA A 1 44 ? 6.269 6.388 11.094 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 1 -ATOM 704 H HA . ALA A 1 44 ? 4.930 4.748 13.008 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 1 -ATOM 705 H HB1 . ALA A 1 44 ? 3.865 7.095 11.444 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 1 -ATOM 706 H HB2 . ALA A 1 44 ? 4.711 7.188 12.988 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 1 -ATOM 707 H HB3 . ALA A 1 44 ? 3.140 6.390 12.890 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 1 -ATOM 708 N N . ASN A 1 45 ? 4.208 4.299 9.921 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 1 -ATOM 709 C CA . ASN A 1 45 ? 3.435 3.482 8.997 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 1 -ATOM 710 C C . ASN A 1 45 ? 4.160 2.191 8.715 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 1 -ATOM 711 O O . ASN A 1 45 ? 3.572 1.246 8.221 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 1 -ATOM 712 C CB . ASN A 1 45 ? 3.171 4.213 7.661 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 1 -ATOM 713 C CG . ASN A 1 45 ? 2.296 5.446 7.786 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 1 -ATOM 714 O OD1 . ASN A 1 45 ? 1.436 5.534 8.660 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 1 -ATOM 715 N ND2 . ASN A 1 45 ? 2.501 6.404 6.911 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 1 -ATOM 716 H H . ASN A 1 45 ? 5.000 4.775 9.591 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 1 -ATOM 717 H HA . ASN A 1 45 ? 2.488 3.258 9.464 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 1 -ATOM 718 H HB2 . ASN A 1 45 ? 4.114 4.524 7.240 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 1 -ATOM 719 H HB3 . ASN A 1 45 ? 2.694 3.524 6.977 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 1 -ATOM 720 H HD21 . ASN A 1 45 ? 3.191 6.280 6.225 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 1 -ATOM 721 H HD22 . ASN A 1 45 ? 1.949 7.212 6.976 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 1 -ATOM 722 N N . LYS A 1 46 ? 5.441 2.158 9.047 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 1 -ATOM 723 C CA . LYS A 1 46 ? 6.310 1.055 8.751 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 1 -ATOM 724 C C . LYS A 1 46 ? 5.883 -0.231 9.452 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 1 -ATOM 725 O O . LYS A 1 46 ? 5.309 -0.209 10.546 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 1 -ATOM 726 C CB . LYS A 1 46 ? 7.736 1.409 9.185 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 1 -ATOM 727 C CG . LYS A 1 46 ? 8.797 0.740 8.354 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 1 -ATOM 728 C CD . LYS A 1 46 ? 10.197 0.925 8.935 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 1 -ATOM 729 C CE . LYS A 1 46 ? 11.284 0.398 7.989 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 1 -ATOM 730 N NZ . LYS A 1 46 ? 11.506 1.294 6.827 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 1 -ATOM 731 H H . LYS A 1 46 ? 5.870 2.907 9.504 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 1 -ATOM 732 H HA . LYS A 1 46 ? 6.326 0.903 7.682 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 1 -ATOM 733 H HB2 . LYS A 1 46 ? 7.867 2.478 9.107 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 1 -ATOM 734 H HB3 . LYS A 1 46 ? 7.869 1.112 10.215 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 1 -ATOM 735 H HG2 . LYS A 1 46 ? 8.548 -0.307 8.272 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 1 -ATOM 736 H HG3 . LYS A 1 46 ? 8.727 1.222 7.391 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 1 -ATOM 737 H HD2 . LYS A 1 46 ? 10.370 1.977 9.110 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 1 -ATOM 738 H HD3 . LYS A 1 46 ? 10.260 0.390 9.872 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 1 -ATOM 739 H HE2 . LYS A 1 46 ? 12.211 0.304 8.534 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 1 -ATOM 740 H HE3 . LYS A 1 46 ? 10.985 -0.575 7.626 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 1 -ATOM 741 H HZ1 . LYS A 1 46 ? 11.976 2.174 7.126 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 1 -ATOM 742 H HZ2 . LYS A 1 46 ? 10.624 1.609 6.370 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 1 -ATOM 743 H HZ3 . LYS A 1 46 ? 12.103 0.863 6.088 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 1 -ATOM 744 N N . LEU A 1 47 ? 6.104 -1.318 8.778 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 1 -ATOM 745 C CA . LEU A 1 47 ? 5.974 -2.633 9.329 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 1 -ATOM 746 C C . LEU A 1 47 ? 7.358 -3.050 9.740 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 1 -ATOM 747 O O . LEU A 1 47 ? 8.274 -3.044 8.916 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 1 -ATOM 748 C CB . LEU A 1 47 ? 5.445 -3.613 8.282 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 1 -ATOM 749 C CG . LEU A 1 47 ? 4.001 -3.434 7.836 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 1 -ATOM 750 C CD1 . LEU A 1 47 ? 3.704 -4.361 6.697 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 1 -ATOM 751 C CD2 . LEU A 1 47 ? 3.063 -3.748 8.968 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 1 -ATOM 752 H H . LEU A 1 47 ? 6.386 -1.248 7.837 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 1 -ATOM 753 H HA . LEU A 1 47 ? 5.309 -2.597 10.179 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 1 -ATOM 754 H HB2 . LEU A 1 47 ? 6.070 -3.519 7.407 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 1 -ATOM 755 H HB3 . LEU A 1 47 ? 5.558 -4.613 8.672 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 1 -ATOM 756 H HG . LEU A 1 47 ? 3.827 -2.417 7.521 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 1 -ATOM 757 H HD11 . LEU A 1 47 ? 4.355 -4.129 5.868 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 1 -ATOM 758 H HD12 . LEU A 1 47 ? 2.671 -4.231 6.412 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 1 -ATOM 759 H HD13 . LEU A 1 47 ? 3.874 -5.375 7.026 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 1 -ATOM 760 H HD21 . LEU A 1 47 ? 3.242 -4.758 9.308 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 1 -ATOM 761 H HD22 . LEU A 1 47 ? 2.055 -3.676 8.589 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 1 -ATOM 762 H HD23 . LEU A 1 47 ? 3.214 -3.051 9.778 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 1 -ATOM 763 N N . ARG A 1 48 ? 7.527 -3.396 10.972 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 1 -ATOM 764 C CA . ARG A 1 48 ? 8.840 -3.713 11.463 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 1 -ATOM 765 C C . ARG A 1 48 ? 9.109 -5.186 11.205 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 1 -ATOM 766 O O . ARG A 1 48 ? 8.261 -6.026 11.474 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 1 -ATOM 767 C CB . ARG A 1 48 ? 8.967 -3.383 12.952 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 1 -ATOM 768 C CG . ARG A 1 48 ? 10.405 -3.179 13.412 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 1 -ATOM 769 C CD . ARG A 1 48 ? 11.002 -1.925 12.771 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 1 -ATOM 770 N NE . ARG A 1 48 ? 12.391 -1.688 13.170 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 1 -ATOM 771 C CZ . ARG A 1 48 ? 13.015 -0.495 13.106 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 1 -ATOM 772 N NH1 . ARG A 1 48 ? 12.357 0.593 12.703 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 1 -ATOM 773 N NH2 . ARG A 1 48 ? 14.285 -0.399 13.457 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 1 -ATOM 774 H H . ARG A 1 48 ? 6.734 -3.495 11.539 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 1 -ATOM 775 H HA . ARG A 1 48 ? 9.544 -3.124 10.898 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 1 -ATOM 776 H HB2 . ARG A 1 48 ? 8.412 -2.480 13.158 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 1 -ATOM 777 H HB3 . ARG A 1 48 ? 8.541 -4.193 13.525 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 1 -ATOM 778 H HG2 . ARG A 1 48 ? 10.421 -3.066 14.486 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 1 -ATOM 779 H HG3 . ARG A 1 48 ? 10.996 -4.036 13.126 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 1 -ATOM 780 H HD2 . ARG A 1 48 ? 10.978 -2.024 11.696 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 1 -ATOM 781 H HD3 . ARG A 1 48 ? 10.407 -1.074 13.065 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 1 -ATOM 782 H HE . ARG A 1 48 ? 12.872 -2.487 13.480 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 1 -ATOM 783 H HH11 . ARG A 1 48 ? 11.389 0.571 12.439 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 1 -ATOM 784 H HH12 . ARG A 1 48 ? 12.787 1.497 12.643 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 1 -ATOM 785 H HH21 . ARG A 1 48 ? 14.813 -1.189 13.776 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 1 -ATOM 786 H HH22 . ARG A 1 48 ? 14.783 0.472 13.430 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 1 -ATOM 787 N N . GLY A 1 49 ? 10.247 -5.480 10.636 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 1 -ATOM 788 C CA . GLY A 1 49 ? 10.580 -6.844 10.276 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 1 -ATOM 789 C C . GLY A 1 49 ? 10.477 -7.001 8.788 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 1 -ATOM 790 O O . GLY A 1 49 ? 11.245 -7.725 8.155 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 1 -ATOM 791 H H . GLY A 1 49 ? 10.880 -4.760 10.430 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 1 -ATOM 792 H HA2 . GLY A 1 49 ? 11.589 -7.062 10.590 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 1 -ATOM 793 H HA3 . GLY A 1 49 ? 9.893 -7.527 10.751 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 1 -ATOM 794 N N . MET A 1 50 ? 9.538 -6.284 8.235 1.00 0.00 ? ? ? ? ? ? 47 MET A N 1 -ATOM 795 C CA . MET A 1 50 ? 9.339 -6.221 6.815 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 1 -ATOM 796 C C . MET A 1 50 ? 10.259 -5.130 6.304 1.00 0.00 ? ? ? ? ? ? 47 MET A C 1 -ATOM 797 O O . MET A 1 50 ? 10.185 -4.011 6.814 1.00 0.00 ? ? ? ? ? ? 47 MET A O 1 -ATOM 798 C CB . MET A 1 50 ? 7.884 -5.863 6.508 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 1 -ATOM 799 C CG . MET A 1 50 ? 6.861 -6.885 6.993 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 1 -ATOM 800 S SD . MET A 1 50 ? 6.948 -8.463 6.112 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 1 -ATOM 801 C CE . MET A 1 50 ? 6.463 -7.961 4.458 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 1 -ATOM 802 H H . MET A 1 50 ? 8.969 -5.750 8.825 1.00 0.00 ? ? ? ? ? ? 47 MET A H 1 -ATOM 803 H HA . MET A 1 50 ? 9.590 -7.180 6.387 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 1 -ATOM 804 H HB2 . MET A 1 50 ? 7.663 -4.920 6.982 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 1 -ATOM 805 H HB3 . MET A 1 50 ? 7.774 -5.748 5.440 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 1 -ATOM 806 H HG2 . MET A 1 50 ? 7.030 -7.066 8.043 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 1 -ATOM 807 H HG3 . MET A 1 50 ? 5.872 -6.469 6.861 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 1 -ATOM 808 H HE1 . MET A 1 50 ? 5.476 -7.521 4.489 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 1 -ATOM 809 H HE2 . MET A 1 50 ? 6.437 -8.823 3.808 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 1 -ATOM 810 H HE3 . MET A 1 50 ? 7.163 -7.240 4.063 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 1 -ATOM 811 N N . PRO A 1 51 ? 11.138 -5.442 5.305 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 1 -ATOM 812 C CA . PRO A 1 51 ? 12.184 -4.536 4.792 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 1 -ATOM 813 C C . PRO A 1 51 ? 11.772 -3.071 4.756 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 1 -ATOM 814 O O . PRO A 1 51 ? 12.283 -2.253 5.521 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 1 -ATOM 815 C CB . PRO A 1 51 ? 12.459 -5.047 3.378 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 1 -ATOM 816 C CG . PRO A 1 51 ? 11.766 -6.369 3.258 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 1 -ATOM 817 C CD . PRO A 1 51 ? 11.177 -6.721 4.598 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 1 -ATOM 818 H HA . PRO A 1 51 ? 13.084 -4.618 5.380 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 1 -ATOM 819 H HB2 . PRO A 1 51 ? 12.073 -4.337 2.662 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 1 -ATOM 820 H HB3 . PRO A 1 51 ? 13.524 -5.151 3.235 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 1 -ATOM 821 H HG2 . PRO A 1 51 ? 10.978 -6.295 2.523 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 1 -ATOM 822 H HG3 . PRO A 1 51 ? 12.483 -7.120 2.956 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 1 -ATOM 823 H HD2 . PRO A 1 51 ? 10.181 -7.114 4.458 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 1 -ATOM 824 H HD3 . PRO A 1 51 ? 11.805 -7.433 5.113 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 1 -ATOM 825 N N . ASP A 1 52 ? 10.826 -2.760 3.921 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 1 -ATOM 826 C CA . ASP A 1 52 ? 10.318 -1.414 3.830 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 1 -ATOM 827 C C . ASP A 1 52 ? 8.878 -1.460 3.437 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 1 -ATOM 828 O O . ASP A 1 52 ? 8.473 -0.898 2.428 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 1 -ATOM 829 C CB . ASP A 1 52 ? 11.128 -0.558 2.845 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 1 -ATOM 830 C CG . ASP A 1 52 ? 11.706 0.683 3.508 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 1 -ATOM 831 O OD1 . ASP A 1 52 ? 12.605 0.542 4.375 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 1 -ATOM 832 O OD2 . ASP A 1 52 ? 11.314 1.819 3.169 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 1 -ATOM 833 H H . ASP A 1 52 ? 10.449 -3.460 3.349 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 1 -ATOM 834 H HA . ASP A 1 52 ? 10.389 -0.978 4.815 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 1 -ATOM 835 H HB2 . ASP A 1 52 ? 11.931 -1.151 2.432 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 1 -ATOM 836 H HB3 . ASP A 1 52 ? 10.477 -0.245 2.042 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 1 -ATOM 837 N N . CYS A 1 53 ? 8.108 -2.176 4.210 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 1 -ATOM 838 C CA . CYS A 1 53 ? 6.699 -2.277 3.964 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 1 -ATOM 839 C C . CYS A 1 53 ? 5.976 -1.402 4.964 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 1 -ATOM 840 O O . CYS A 1 53 ? 6.411 -1.281 6.107 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 1 -ATOM 841 C CB . CYS A 1 53 ? 6.262 -3.728 4.066 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 1 -ATOM 842 S SG . CYS A 1 53 ? 7.202 -4.831 2.979 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 1 -ATOM 843 H H . CYS A 1 53 ? 8.484 -2.633 4.991 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 1 -ATOM 844 H HA . CYS A 1 53 ? 6.502 -1.907 2.969 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 1 -ATOM 845 H HB2 . CYS A 1 53 ? 6.393 -4.067 5.082 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 1 -ATOM 846 H HB3 . CYS A 1 53 ? 5.220 -3.803 3.791 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 1 -ATOM 847 H HG . CYS A 1 53 ? 7.358 -4.181 1.835 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 1 -ATOM 848 N N . TYR A 1 54 ? 4.930 -0.762 4.528 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 1 -ATOM 849 C CA . TYR A 1 54 ? 4.200 0.188 5.339 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 1 -ATOM 850 C C . TYR A 1 54 ? 2.727 -0.072 5.180 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 1 -ATOM 851 O O . TYR A 1 54 ? 2.299 -0.588 4.137 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 1 -ATOM 852 C CB . TYR A 1 54 ? 4.512 1.640 4.884 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 1 -ATOM 853 C CG . TYR A 1 54 ? 5.979 2.035 4.958 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 1 -ATOM 854 C CD1 . TYR A 1 54 ? 6.898 1.521 4.065 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 1 -ATOM 855 C CD2 . TYR A 1 54 ? 6.445 2.879 5.937 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 1 -ATOM 856 C CE1 . TYR A 1 54 ? 8.223 1.830 4.146 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 1 -ATOM 857 C CE2 . TYR A 1 54 ? 7.785 3.187 6.027 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 1 -ATOM 858 C CZ . TYR A 1 54 ? 8.663 2.655 5.122 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 1 -ATOM 859 O OH . TYR A 1 54 ? 10.001 2.916 5.228 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 1 -ATOM 860 H H . TYR A 1 54 ? 4.617 -0.919 3.607 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 1 -ATOM 861 H HA . TYR A 1 54 ? 4.489 0.073 6.373 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 1 -ATOM 862 H HB2 . TYR A 1 54 ? 4.196 1.761 3.858 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 1 -ATOM 863 H HB3 . TYR A 1 54 ? 3.950 2.326 5.502 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 1 -ATOM 864 H HD1 . TYR A 1 54 ? 6.549 0.861 3.285 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 1 -ATOM 865 H HD2 . TYR A 1 54 ? 5.750 3.294 6.650 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 1 -ATOM 866 H HE1 . TYR A 1 54 ? 8.920 1.412 3.435 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 1 -ATOM 867 H HE2 . TYR A 1 54 ? 8.134 3.854 6.802 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 1 -ATOM 868 H HH . TYR A 1 54 ? 10.405 2.842 4.345 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 1 -ATOM 869 N N . LYS A 1 55 ? 1.958 0.257 6.188 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 1 -ATOM 870 C CA . LYS A 1 55 ? 0.536 0.079 6.123 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 1 -ATOM 871 C C . LYS A 1 55 ? -0.169 1.391 6.425 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 1 -ATOM 872 O O . LYS A 1 55 ? 0.260 2.163 7.300 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 1 -ATOM 873 C CB . LYS A 1 55 ? 0.015 -1.044 7.085 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 1 -ATOM 874 C CG . LYS A 1 55 ? 0.030 -0.736 8.606 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 1 -ATOM 875 C CD . LYS A 1 55 ? 1.427 -0.708 9.221 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 1 -ATOM 876 C CE . LYS A 1 55 ? 1.369 -0.353 10.703 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 1 -ATOM 877 N NZ . LYS A 1 55 ? 2.692 -0.441 11.384 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 1 -ATOM 878 H H . LYS A 1 55 ? 2.365 0.662 6.987 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 1 -ATOM 879 H HA . LYS A 1 55 ? 0.300 -0.201 5.107 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 1 -ATOM 880 H HB2 . LYS A 1 55 ? -1.005 -1.268 6.816 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 1 -ATOM 881 H HB3 . LYS A 1 55 ? 0.611 -1.929 6.916 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 1 -ATOM 882 H HG2 . LYS A 1 55 ? -0.424 0.231 8.766 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 1 -ATOM 883 H HG3 . LYS A 1 55 ? -0.563 -1.486 9.110 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 1 -ATOM 884 H HD2 . LYS A 1 55 ? 1.879 -1.680 9.108 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 1 -ATOM 885 H HD3 . LYS A 1 55 ? 2.025 0.029 8.707 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 1 -ATOM 886 H HE2 . LYS A 1 55 ? 1.014 0.662 10.774 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 1 -ATOM 887 H HE3 . LYS A 1 55 ? 0.667 -1.012 11.193 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 1 -ATOM 888 H HZ1 . LYS A 1 55 ? 2.610 -0.094 12.363 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 1 -ATOM 889 H HZ2 . LYS A 1 55 ? 3.454 0.087 10.911 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 1 -ATOM 890 H HZ3 . LYS A 1 55 ? 3.009 -1.428 11.453 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 1 -ATOM 891 N N . ILE A 1 56 ? -1.210 1.653 5.700 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 1 -ATOM 892 C CA . ILE A 1 56 ? -2.044 2.804 5.931 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 1 -ATOM 893 C C . ILE A 1 56 ? -3.458 2.320 6.160 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 1 -ATOM 894 O O . ILE A 1 56 ? -3.939 1.450 5.435 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 1 -ATOM 895 C CB . ILE A 1 56 ? -2.008 3.826 4.743 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 1 -ATOM 896 C CG1 . ILE A 1 56 ? -0.581 4.380 4.551 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 1 -ATOM 897 C CG2 . ILE A 1 56 ? -2.997 4.973 4.985 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 1 -ATOM 898 C CD1 . ILE A 1 56 ? -0.443 5.387 3.421 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 1 -ATOM 899 H H . ILE A 1 56 ? -1.433 1.040 4.963 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 1 -ATOM 900 H HA . ILE A 1 56 ? -1.694 3.287 6.831 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 1 -ATOM 901 H HB . ILE A 1 56 ? -2.308 3.309 3.843 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 1 -ATOM 902 H HG12 . ILE A 1 56 ? -0.276 4.876 5.459 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 1 -ATOM 903 H HG13 . ILE A 1 56 ? 0.091 3.558 4.355 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 1 -ATOM 904 H HG21 . ILE A 1 56 ? -2.964 5.659 4.151 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 1 -ATOM 905 H HG22 . ILE A 1 56 ? -2.727 5.496 5.890 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 1 -ATOM 906 H HG23 . ILE A 1 56 ? -3.995 4.573 5.086 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 1 -ATOM 907 H HD11 . ILE A 1 56 ? 0.592 5.682 3.326 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 1 -ATOM 908 H HD12 . ILE A 1 56 ? -1.038 6.258 3.651 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 1 -ATOM 909 H HD13 . ILE A 1 56 ? -0.785 4.950 2.495 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 1 -ATOM 910 N N . LYS A 1 57 ? -4.089 2.826 7.186 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 1 -ATOM 911 C CA . LYS A 1 57 ? -5.443 2.452 7.505 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 1 -ATOM 912 C C . LYS A 1 57 ? -6.412 3.613 7.325 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 1 -ATOM 913 O O . LYS A 1 57 ? -6.026 4.792 7.438 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 1 -ATOM 914 C CB . LYS A 1 57 ? -5.537 1.792 8.909 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 1 -ATOM 915 C CG . LYS A 1 57 ? -4.786 2.507 10.030 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 1 -ATOM 916 C CD . LYS A 1 57 ? -5.391 3.845 10.404 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 1 -ATOM 917 C CE . LYS A 1 57 ? -4.474 4.567 11.343 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 1 -ATOM 918 N NZ . LYS A 1 57 ? -5.005 5.868 11.785 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 1 -ATOM 919 H H . LYS A 1 57 ? -3.639 3.491 7.747 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 1 -ATOM 920 H HA . LYS A 1 57 ? -5.707 1.710 6.770 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 1 -ATOM 921 H HB2 . LYS A 1 57 ? -6.576 1.737 9.198 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 1 -ATOM 922 H HB3 . LYS A 1 57 ? -5.149 0.788 8.840 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 1 -ATOM 923 H HG2 . LYS A 1 57 ? -4.790 1.876 10.907 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 1 -ATOM 924 H HG3 . LYS A 1 57 ? -3.764 2.658 9.713 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 1 -ATOM 925 H HD2 . LYS A 1 57 ? -5.528 4.436 9.511 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 1 -ATOM 926 H HD3 . LYS A 1 57 ? -6.342 3.684 10.888 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 1 -ATOM 927 H HE2 . LYS A 1 57 ? -4.299 3.934 12.199 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 1 -ATOM 928 H HE3 . LYS A 1 57 ? -3.551 4.716 10.804 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 1 -ATOM 929 H HZ1 . LYS A 1 57 ? -5.888 5.756 12.323 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 1 -ATOM 930 H HZ2 . LYS A 1 57 ? -5.184 6.505 10.985 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 1 -ATOM 931 H HZ3 . LYS A 1 57 ? -4.312 6.329 12.409 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 1 -ATOM 932 N N . LEU A 1 58 ? -7.634 3.297 6.990 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 1 -ATOM 933 C CA . LEU A 1 58 ? -8.643 4.287 6.850 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 1 -ATOM 934 C C . LEU A 1 58 ? -9.467 4.487 8.086 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 1 -ATOM 935 O O . LEU A 1 58 ? -9.899 3.535 8.754 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 1 -ATOM 936 C CB . LEU A 1 58 ? -9.557 4.057 5.663 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 1 -ATOM 937 C CG . LEU A 1 58 ? -9.042 4.482 4.291 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 1 -ATOM 938 C CD1 . LEU A 1 58 ? -10.143 4.338 3.283 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 1 -ATOM 939 C CD2 . LEU A 1 58 ? -8.520 5.917 4.307 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 1 -ATOM 940 H H . LEU A 1 58 ? -7.854 2.359 6.795 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 1 -ATOM 941 H HA . LEU A 1 58 ? -8.119 5.210 6.672 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 1 -ATOM 942 H HB2 . LEU A 1 58 ? -9.773 2.999 5.623 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 1 -ATOM 943 H HB3 . LEU A 1 58 ? -10.481 4.574 5.862 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 1 -ATOM 944 H HG . LEU A 1 58 ? -8.244 3.830 3.971 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 1 -ATOM 945 H HD11 . LEU A 1 58 ? -9.796 4.662 2.313 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 1 -ATOM 946 H HD12 . LEU A 1 58 ? -10.993 4.934 3.580 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 1 -ATOM 947 H HD13 . LEU A 1 58 ? -10.425 3.299 3.232 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 1 -ATOM 948 H HD21 . LEU A 1 58 ? -8.247 6.202 3.301 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 1 -ATOM 949 H HD22 . LEU A 1 58 ? -7.640 5.981 4.928 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 1 -ATOM 950 H HD23 . LEU A 1 58 ? -9.283 6.585 4.677 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 1 -ATOM 951 N N . ARG A 1 59 ? -9.681 5.740 8.350 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 1 -ATOM 952 C CA . ARG A 1 59 ? -10.508 6.249 9.424 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 1 -ATOM 953 C C . ARG A 1 59 ? -11.977 5.809 9.262 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 1 -ATOM 954 O O . ARG A 1 59 ? -12.677 5.573 10.248 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 1 -ATOM 955 C CB . ARG A 1 59 ? -10.419 7.789 9.388 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 1 -ATOM 956 C CG . ARG A 1 59 ? -10.782 8.373 8.017 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 1 -ATOM 957 C CD . ARG A 1 59 ? -10.646 9.872 7.946 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 1 -ATOM 958 N NE . ARG A 1 59 ? -10.899 10.348 6.577 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 1 -ATOM 959 C CZ . ARG A 1 59 ? -10.672 11.582 6.123 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 1 -ATOM 960 N NH1 . ARG A 1 59 ? -10.241 12.532 6.937 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 1 -ATOM 961 N NH2 . ARG A 1 59 ? -10.906 11.854 4.853 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 1 -ATOM 962 H H . ARG A 1 59 ? -9.212 6.396 7.788 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 1 -ATOM 963 H HA . ARG A 1 59 ? -10.116 5.911 10.371 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 1 -ATOM 964 H HB2 . ARG A 1 59 ? -11.087 8.203 10.127 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 1 -ATOM 965 H HB3 . ARG A 1 59 ? -9.406 8.084 9.618 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 1 -ATOM 966 H HG2 . ARG A 1 59 ? -10.132 7.941 7.269 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 1 -ATOM 967 H HG3 . ARG A 1 59 ? -11.801 8.099 7.789 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 1 -ATOM 968 H HD2 . ARG A 1 59 ? -11.353 10.327 8.624 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 1 -ATOM 969 H HD3 . ARG A 1 59 ? -9.640 10.147 8.225 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 1 -ATOM 970 H HE . ARG A 1 59 ? -11.256 9.675 5.951 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 1 -ATOM 971 H HH11 . ARG A 1 59 ? -10.082 12.361 7.912 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 1 -ATOM 972 H HH12 . ARG A 1 59 ? -10.051 13.470 6.636 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 1 -ATOM 973 H HH21 . ARG A 1 59 ? -11.244 11.137 4.232 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 1 -ATOM 974 H HH22 . ARG A 1 59 ? -10.797 12.767 4.452 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 1 -ATOM 975 N N . SER A 1 60 ? -12.407 5.673 8.020 1.00 0.00 ? ? ? ? ? ? 57 SER A N 1 -ATOM 976 C CA . SER A 1 60 ? -13.779 5.400 7.690 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 1 -ATOM 977 C C . SER A 1 60 ? -14.226 3.956 8.041 1.00 0.00 ? ? ? ? ? ? 57 SER A C 1 -ATOM 978 O O . SER A 1 60 ? -14.740 3.707 9.128 1.00 0.00 ? ? ? ? ? ? 57 SER A O 1 -ATOM 979 C CB . SER A 1 60 ? -13.983 5.705 6.211 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 1 -ATOM 980 O OG . SER A 1 60 ? -13.369 6.946 5.882 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 1 -ATOM 981 H H . SER A 1 60 ? -11.787 5.807 7.275 1.00 0.00 ? ? ? ? ? ? 57 SER A H 1 -ATOM 982 H HA . SER A 1 60 ? -14.389 6.092 8.252 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 1 -ATOM 983 H HB2 . SER A 1 60 ? -13.539 4.925 5.611 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 1 -ATOM 984 H HB3 . SER A 1 60 ? -15.038 5.778 5.995 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 1 -ATOM 985 H HG . SER A 1 60 ? -14.073 7.566 5.650 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 1 -ATOM 986 N N . SER A 1 61 ? -13.995 3.021 7.152 1.00 0.00 ? ? ? ? ? ? 58 SER A N 1 -ATOM 987 C CA . SER A 1 61 ? -14.477 1.673 7.325 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 1 -ATOM 988 C C . SER A 1 61 ? -13.392 0.679 7.788 1.00 0.00 ? ? ? ? ? ? 58 SER A C 1 -ATOM 989 O O . SER A 1 61 ? -13.663 -0.518 7.962 1.00 0.00 ? ? ? ? ? ? 58 SER A O 1 -ATOM 990 C CB . SER A 1 61 ? -15.118 1.265 6.020 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 1 -ATOM 991 O OG . SER A 1 61 ? -14.368 1.816 4.935 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 1 -ATOM 992 H H . SER A 1 61 ? -13.541 3.196 6.300 1.00 0.00 ? ? ? ? ? ? 58 SER A H 1 -ATOM 993 H HA . SER A 1 61 ? -15.254 1.699 8.074 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 1 -ATOM 994 H HB2 . SER A 1 61 ? -15.123 0.188 5.945 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 1 -ATOM 995 H HB3 . SER A 1 61 ? -16.129 1.644 5.972 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 1 -ATOM 996 H HG . SER A 1 61 ? -14.906 1.712 4.144 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 1 -ATOM 997 N N . GLY A 1 62 ? -12.190 1.178 8.010 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 1 -ATOM 998 C CA . GLY A 1 62 ? -11.114 0.331 8.500 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 1 -ATOM 999 C C . GLY A 1 62 ? -10.474 -0.531 7.427 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 1 -ATOM 1000 O O . GLY A 1 62 ? -10.268 -1.730 7.610 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 1 -ATOM 1001 H H . GLY A 1 62 ? -12.042 2.135 7.871 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 1 -ATOM 1002 H HA2 . GLY A 1 62 ? -10.349 0.963 8.924 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 1 -ATOM 1003 H HA3 . GLY A 1 62 ? -11.500 -0.308 9.280 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 1 -ATOM 1004 N N . TYR A 1 63 ? -10.180 0.056 6.310 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 1 -ATOM 1005 C CA . TYR A 1 63 ? -9.462 -0.647 5.284 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 1 -ATOM 1006 C C . TYR A 1 63 ? -8.003 -0.302 5.381 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 1 -ATOM 1007 O O . TYR A 1 63 ? -7.654 0.811 5.774 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 1 -ATOM 1008 C CB . TYR A 1 63 ? -10.027 -0.369 3.890 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 1 -ATOM 1009 C CG . TYR A 1 63 ? -11.316 -1.117 3.605 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 1 -ATOM 1010 C CD1 . TYR A 1 63 ? -12.535 -0.667 4.081 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 1 -ATOM 1011 C CD2 . TYR A 1 63 ? -11.301 -2.283 2.857 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 1 -ATOM 1012 C CE1 . TYR A 1 63 ? -13.703 -1.360 3.818 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 1 -ATOM 1013 C CE2 . TYR A 1 63 ? -12.460 -2.979 2.592 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 1 -ATOM 1014 C CZ . TYR A 1 63 ? -13.657 -2.513 3.075 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 1 -ATOM 1015 O OH . TYR A 1 63 ? -14.821 -3.208 2.809 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 1 -ATOM 1016 H H . TYR A 1 63 ? -10.428 0.989 6.164 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 1 -ATOM 1017 H HA . TYR A 1 63 ? -9.563 -1.699 5.505 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 1 -ATOM 1018 H HB2 . TYR A 1 63 ? -10.227 0.688 3.794 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 1 -ATOM 1019 H HB3 . TYR A 1 63 ? -9.298 -0.660 3.149 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 1 -ATOM 1020 H HD1 . TYR A 1 63 ? -12.569 0.240 4.664 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 1 -ATOM 1021 H HD2 . TYR A 1 63 ? -10.357 -2.648 2.477 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 1 -ATOM 1022 H HE1 . TYR A 1 63 ? -14.646 -0.994 4.198 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 1 -ATOM 1023 H HE2 . TYR A 1 63 ? -12.424 -3.885 2.007 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 1 -ATOM 1024 H HH . TYR A 1 63 ? -15.490 -2.571 2.533 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 1 -ATOM 1025 N N . ARG A 1 64 ? -7.167 -1.254 5.083 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 1 -ATOM 1026 C CA . ARG A 1 64 ? -5.741 -1.091 5.181 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 1 -ATOM 1027 C C . ARG A 1 64 ? -5.123 -1.331 3.833 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 1 -ATOM 1028 O O . ARG A 1 64 ? -5.635 -2.122 3.030 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 1 -ATOM 1029 C CB . ARG A 1 64 ? -5.087 -2.079 6.172 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 1 -ATOM 1030 C CG . ARG A 1 64 ? -5.451 -1.962 7.658 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 1 -ATOM 1031 C CD . ARG A 1 64 ? -6.878 -2.389 7.964 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 1 -ATOM 1032 N NE . ARG A 1 64 ? -7.049 -2.712 9.384 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 1 -ATOM 1033 C CZ . ARG A 1 64 ? -8.034 -3.470 9.878 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 1 -ATOM 1034 N NH1 . ARG A 1 64 ? -9.137 -3.675 9.170 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 1 -ATOM 1035 N NH2 . ARG A 1 64 ? -7.946 -3.954 11.111 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 1 -ATOM 1036 H H . ARG A 1 64 ? -7.515 -2.097 4.717 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 1 -ATOM 1037 H HA . ARG A 1 64 ? -5.528 -0.083 5.502 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 1 -ATOM 1038 H HB2 . ARG A 1 64 ? -5.347 -3.080 5.862 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 1 -ATOM 1039 H HB3 . ARG A 1 64 ? -4.016 -1.974 6.078 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 1 -ATOM 1040 H HG2 . ARG A 1 64 ? -4.779 -2.584 8.231 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 1 -ATOM 1041 H HG3 . ARG A 1 64 ? -5.319 -0.933 7.956 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 1 -ATOM 1042 H HD2 . ARG A 1 64 ? -7.548 -1.584 7.701 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 1 -ATOM 1043 H HD3 . ARG A 1 64 ? -7.114 -3.263 7.375 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 1 -ATOM 1044 H HE . ARG A 1 64 ? -6.304 -2.401 9.952 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 1 -ATOM 1045 H HH11 . ARG A 1 64 ? -9.301 -3.254 8.273 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 1 -ATOM 1046 H HH12 . ARG A 1 64 ? -9.865 -4.307 9.483 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 1 -ATOM 1047 H HH21 . ARG A 1 64 ? -7.143 -3.779 11.690 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 1 -ATOM 1048 H HH22 . ARG A 1 64 ? -8.693 -4.488 11.514 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 1 -ATOM 1049 N N . LEU A 1 65 ? -4.049 -0.676 3.594 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 1 -ATOM 1050 C CA . LEU A 1 65 ? -3.304 -0.832 2.393 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 1 -ATOM 1051 C C . LEU A 1 65 ? -1.855 -1.058 2.798 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 1 -ATOM 1052 O O . LEU A 1 65 ? -1.335 -0.330 3.648 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 1 -ATOM 1053 C CB . LEU A 1 65 ? -3.502 0.431 1.528 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 1 -ATOM 1054 C CG . LEU A 1 65 ? -2.935 0.436 0.102 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 1 -ATOM 1055 C CD1 . LEU A 1 65 ? -3.585 1.544 -0.686 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 1 -ATOM 1056 C CD2 . LEU A 1 65 ? -1.445 0.664 0.109 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 1 -ATOM 1057 H H . LEU A 1 65 ? -3.735 -0.023 4.260 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 1 -ATOM 1058 H HA . LEU A 1 65 ? -3.673 -1.700 1.870 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 1 -ATOM 1059 H HB2 . LEU A 1 65 ? -4.564 0.612 1.458 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 1 -ATOM 1060 H HB3 . LEU A 1 65 ? -3.066 1.262 2.063 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 1 -ATOM 1061 H HG . LEU A 1 65 ? -3.143 -0.507 -0.383 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 1 -ATOM 1062 H HD11 . LEU A 1 65 ? -4.652 1.381 -0.693 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 1 -ATOM 1063 H HD12 . LEU A 1 65 ? -3.212 1.526 -1.699 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 1 -ATOM 1064 H HD13 . LEU A 1 65 ? -3.368 2.497 -0.228 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 1 -ATOM 1065 H HD21 . LEU A 1 65 ? -1.076 0.698 -0.904 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 1 -ATOM 1066 H HD22 . LEU A 1 65 ? -0.961 -0.135 0.653 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 1 -ATOM 1067 H HD23 . LEU A 1 65 ? -1.252 1.607 0.598 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 1 -ATOM 1068 N N . VAL A 1 66 ? -1.229 -2.080 2.239 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 1 -ATOM 1069 C CA . VAL A 1 66 ? 0.142 -2.418 2.574 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 1 -ATOM 1070 C C . VAL A 1 66 ? 1.005 -2.316 1.315 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 1 -ATOM 1071 O O . VAL A 1 66 ? 0.732 -2.976 0.288 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 1 -ATOM 1072 C CB . VAL A 1 66 ? 0.267 -3.851 3.190 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 1 -ATOM 1073 C CG1 . VAL A 1 66 ? 1.687 -4.117 3.686 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 1 -ATOM 1074 C CG2 . VAL A 1 66 ? -0.731 -4.049 4.328 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 1 -ATOM 1075 H H . VAL A 1 66 ? -1.681 -2.612 1.544 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 1 -ATOM 1076 H HA . VAL A 1 66 ? 0.487 -1.691 3.295 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 1 -ATOM 1077 H HB . VAL A 1 66 ? 0.047 -4.567 2.412 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 1 -ATOM 1078 H HG11 . VAL A 1 66 ? 1.934 -3.415 4.472 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 1 -ATOM 1079 H HG12 . VAL A 1 66 ? 2.389 -4.006 2.874 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 1 -ATOM 1080 H HG13 . VAL A 1 66 ? 1.752 -5.119 4.082 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 1 -ATOM 1081 H HG21 . VAL A 1 66 ? -1.735 -3.912 3.953 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 1 -ATOM 1082 H HG22 . VAL A 1 66 ? -0.540 -3.325 5.106 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 1 -ATOM 1083 H HG23 . VAL A 1 66 ? -0.628 -5.047 4.728 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 1 -ATOM 1084 N N . TYR A 1 67 ? 2.020 -1.505 1.384 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 1 -ATOM 1085 C CA . TYR A 1 67 ? 2.885 -1.250 0.255 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 1 -ATOM 1086 C C . TYR A 1 67 ? 4.331 -1.343 0.662 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 1 -ATOM 1087 O O . TYR A 1 67 ? 4.648 -1.262 1.846 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 1 -ATOM 1088 C CB . TYR A 1 67 ? 2.599 0.136 -0.364 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 1 -ATOM 1089 C CG . TYR A 1 67 ? 2.755 1.322 0.582 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 1 -ATOM 1090 C CD1 . TYR A 1 67 ? 4.005 1.822 0.924 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 1 -ATOM 1091 C CD2 . TYR A 1 67 ? 1.651 1.939 1.118 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 1 -ATOM 1092 C CE1 . TYR A 1 67 ? 4.137 2.894 1.771 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 1 -ATOM 1093 C CE2 . TYR A 1 67 ? 1.770 3.010 1.967 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 1 -ATOM 1094 C CZ . TYR A 1 67 ? 3.016 3.487 2.292 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 1 -ATOM 1095 O OH . TYR A 1 67 ? 3.145 4.546 3.159 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 1 -ATOM 1096 H H . TYR A 1 67 ? 2.214 -1.063 2.243 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 1 -ATOM 1097 H HA . TYR A 1 67 ? 2.688 -2.005 -0.492 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 1 -ATOM 1098 H HB2 . TYR A 1 67 ? 3.272 0.295 -1.192 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 1 -ATOM 1099 H HB3 . TYR A 1 67 ? 1.585 0.143 -0.737 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 1 -ATOM 1100 H HD1 . TYR A 1 67 ? 4.887 1.353 0.513 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 1 -ATOM 1101 H HD2 . TYR A 1 67 ? 0.673 1.560 0.863 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 1 -ATOM 1102 H HE1 . TYR A 1 67 ? 5.119 3.266 2.020 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 1 -ATOM 1103 H HE2 . TYR A 1 67 ? 0.877 3.472 2.359 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 1 -ATOM 1104 H HH . TYR A 1 67 ? 3.851 5.114 2.840 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 1 -ATOM 1105 N N . GLN A 1 68 ? 5.191 -1.548 -0.289 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 1 -ATOM 1106 C CA . GLN A 1 68 ? 6.597 -1.529 -0.033 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 1 -ATOM 1107 C C . GLN A 1 68 ? 7.205 -0.319 -0.708 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 1 -ATOM 1108 O O . GLN A 1 68 ? 6.823 0.040 -1.830 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 1 -ATOM 1109 C CB . GLN A 1 68 ? 7.305 -2.806 -0.508 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 1 -ATOM 1110 C CG . GLN A 1 68 ? 7.186 -3.086 -2.006 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 1 -ATOM 1111 C CD . GLN A 1 68 ? 8.112 -4.191 -2.494 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 1 -ATOM 1112 O OE1 . GLN A 1 68 ? 7.784 -4.921 -3.437 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 1 -ATOM 1113 N NE2 . GLN A 1 68 ? 9.293 -4.291 -1.912 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 1 -ATOM 1114 H H . GLN A 1 68 ? 4.874 -1.683 -1.212 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 1 -ATOM 1115 H HA . GLN A 1 68 ? 6.734 -1.419 1.032 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 1 -ATOM 1116 H HB2 . GLN A 1 68 ? 8.349 -2.711 -0.255 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 1 -ATOM 1117 H HB3 . GLN A 1 68 ? 6.896 -3.648 0.033 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 1 -ATOM 1118 H HG2 . GLN A 1 68 ? 6.170 -3.375 -2.225 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 1 -ATOM 1119 H HG3 . GLN A 1 68 ? 7.421 -2.177 -2.541 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 1 -ATOM 1120 H HE21 . GLN A 1 68 ? 9.542 -3.665 -1.198 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 1 -ATOM 1121 H HE22 . GLN A 1 68 ? 9.912 -4.988 -2.215 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 1 -ATOM 1122 N N . VAL A 1 69 ? 8.094 0.329 -0.036 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 1 -ATOM 1123 C CA . VAL A 1 69 ? 8.791 1.432 -0.620 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 1 -ATOM 1124 C C . VAL A 1 69 ? 10.073 0.901 -1.188 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 1 -ATOM 1125 O O . VAL A 1 69 ? 10.958 0.442 -0.448 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 1 -ATOM 1126 C CB . VAL A 1 69 ? 9.088 2.555 0.411 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 1 -ATOM 1127 C CG1 . VAL A 1 69 ? 9.883 3.696 -0.227 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 1 -ATOM 1128 C CG2 . VAL A 1 69 ? 7.792 3.085 0.988 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 1 -ATOM 1129 H H . VAL A 1 69 ? 8.307 0.041 0.881 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 1 -ATOM 1130 H HA . VAL A 1 69 ? 8.185 1.828 -1.422 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 1 -ATOM 1131 H HB . VAL A 1 69 ? 9.674 2.138 1.216 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 1 -ATOM 1132 H HG11 . VAL A 1 69 ? 10.819 3.315 -0.606 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 1 -ATOM 1133 H HG12 . VAL A 1 69 ? 10.076 4.457 0.513 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 1 -ATOM 1134 H HG13 . VAL A 1 69 ? 9.312 4.122 -1.040 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 1 -ATOM 1135 H HG21 . VAL A 1 69 ? 7.250 2.271 1.447 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 1 -ATOM 1136 H HG22 . VAL A 1 69 ? 7.190 3.521 0.204 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 1 -ATOM 1137 H HG23 . VAL A 1 69 ? 8.013 3.830 1.736 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 1 -ATOM 1138 N N . ILE A 1 70 ? 10.173 0.905 -2.478 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 1 -ATOM 1139 C CA . ILE A 1 70 ? 11.342 0.418 -3.111 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 1 -ATOM 1140 C C . ILE A 1 70 ? 12.235 1.600 -3.382 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 1 -ATOM 1141 O O . ILE A 1 70 ? 12.064 2.308 -4.377 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 1 -ATOM 1142 C CB . ILE A 1 70 ? 11.028 -0.312 -4.441 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 1 -ATOM 1143 C CG1 . ILE A 1 70 ? 9.925 -1.362 -4.235 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 1 -ATOM 1144 C CG2 . ILE A 1 70 ? 12.290 -0.983 -4.965 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 1 -ATOM 1145 C CD1 . ILE A 1 70 ? 9.479 -2.049 -5.513 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 1 -ATOM 1146 H H . ILE A 1 70 ? 9.448 1.260 -3.042 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 1 -ATOM 1147 H HA . ILE A 1 70 ? 11.839 -0.264 -2.436 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 1 -ATOM 1148 H HB . ILE A 1 70 ? 10.696 0.417 -5.165 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 1 -ATOM 1149 H HG12 . ILE A 1 70 ? 10.285 -2.126 -3.562 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 1 -ATOM 1150 H HG13 . ILE A 1 70 ? 9.063 -0.882 -3.797 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 1 -ATOM 1151 H HG21 . ILE A 1 70 ? 12.636 -1.719 -4.257 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 1 -ATOM 1152 H HG22 . ILE A 1 70 ? 13.057 -0.236 -5.103 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 1 -ATOM 1153 H HG23 . ILE A 1 70 ? 12.075 -1.462 -5.910 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 1 -ATOM 1154 H HD11 . ILE A 1 70 ? 9.102 -1.309 -6.205 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 1 -ATOM 1155 H HD12 . ILE A 1 70 ? 8.699 -2.760 -5.287 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 1 -ATOM 1156 H HD13 . ILE A 1 70 ? 10.318 -2.562 -5.959 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 1 -ATOM 1157 N N . ASP A 1 71 ? 13.159 1.827 -2.484 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 1 -ATOM 1158 C CA . ASP A 1 71 ? 14.094 2.943 -2.573 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 1 -ATOM 1159 C C . ASP A 1 71 ? 15.016 2.724 -3.750 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 1 -ATOM 1160 O O . ASP A 1 71 ? 15.427 3.663 -4.418 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 1 -ATOM 1161 C CB . ASP A 1 71 ? 14.905 3.047 -1.277 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 1 -ATOM 1162 C CG . ASP A 1 71 ? 15.829 4.236 -1.233 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 1 -ATOM 1163 O OD1 . ASP A 1 71 ? 16.972 4.141 -1.741 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 1 -ATOM 1164 O OD2 . ASP A 1 71 ? 15.444 5.279 -0.656 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 1 -ATOM 1165 H H . ASP A 1 71 ? 13.219 1.218 -1.715 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 1 -ATOM 1166 H HA . ASP A 1 71 ? 13.532 3.854 -2.719 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 1 -ATOM 1167 H HB2 . ASP A 1 71 ? 14.221 3.135 -0.447 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 1 -ATOM 1168 H HB3 . ASP A 1 71 ? 15.492 2.148 -1.158 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 1 -ATOM 1169 N N . GLU A 1 72 ? 15.269 1.448 -4.026 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 1 -ATOM 1170 C CA . GLU A 1 72 ? 16.118 1.003 -5.124 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 1 -ATOM 1171 C C . GLU A 1 72 ? 15.618 1.540 -6.470 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 1 -ATOM 1172 O O . GLU A 1 72 ? 16.407 1.964 -7.311 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 1 -ATOM 1173 C CB . GLU A 1 72 ? 16.107 -0.521 -5.178 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 1 -ATOM 1174 C CG . GLU A 1 72 ? 16.539 -1.193 -3.893 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 1 -ATOM 1175 C CD . GLU A 1 72 ? 16.424 -2.692 -3.959 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 1 -ATOM 1176 O OE1 . GLU A 1 72 ? 15.335 -3.240 -3.660 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 1 -ATOM 1177 O OE2 . GLU A 1 72 ? 17.413 -3.355 -4.300 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 1 -ATOM 1178 H H . GLU A 1 72 ? 14.872 0.780 -3.426 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 1 -ATOM 1179 H HA . GLU A 1 72 ? 17.130 1.331 -4.940 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 1 -ATOM 1180 H HB2 . GLU A 1 72 ? 15.105 -0.854 -5.410 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 1 -ATOM 1181 H HB3 . GLU A 1 72 ? 16.765 -0.845 -5.970 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 1 -ATOM 1182 H HG2 . GLU A 1 72 ? 17.570 -0.937 -3.697 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 1 -ATOM 1183 H HG3 . GLU A 1 72 ? 15.922 -0.829 -3.087 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 1 -ATOM 1184 N N . LYS A 1 73 ? 14.311 1.542 -6.647 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 1 -ATOM 1185 C CA . LYS A 1 73 ? 13.713 1.943 -7.915 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 1 -ATOM 1186 C C . LYS A 1 73 ? 13.034 3.320 -7.786 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 1 -ATOM 1187 O O . LYS A 1 73 ? 12.586 3.894 -8.777 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 1 -ATOM 1188 C CB . LYS A 1 73 ? 12.677 0.900 -8.340 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 1 -ATOM 1189 C CG . LYS A 1 73 ? 13.180 -0.538 -8.391 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 1 -ATOM 1190 C CD . LYS A 1 73 ? 12.039 -1.497 -8.729 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 1 -ATOM 1191 C CE . LYS A 1 73 ? 12.381 -2.945 -8.378 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 1 -ATOM 1192 N NZ . LYS A 1 73 ? 13.558 -3.451 -9.099 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 1 -ATOM 1193 H H . LYS A 1 73 ? 13.729 1.274 -5.906 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 1 -ATOM 1194 H HA . LYS A 1 73 ? 14.490 1.990 -8.663 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 1 -ATOM 1195 H HB2 . LYS A 1 73 ? 11.905 0.912 -7.588 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 1 -ATOM 1196 H HB3 . LYS A 1 73 ? 12.262 1.162 -9.301 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 1 -ATOM 1197 H HG2 . LYS A 1 73 ? 13.945 -0.615 -9.150 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 1 -ATOM 1198 H HG3 . LYS A 1 73 ? 13.594 -0.803 -7.429 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 1 -ATOM 1199 H HD2 . LYS A 1 73 ? 11.160 -1.204 -8.175 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 1 -ATOM 1200 H HD3 . LYS A 1 73 ? 11.833 -1.431 -9.786 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 1 -ATOM 1201 H HE2 . LYS A 1 73 ? 12.572 -3.004 -7.317 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 1 -ATOM 1202 H HE3 . LYS A 1 73 ? 11.528 -3.565 -8.609 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 1 -ATOM 1203 H HZ1 . LYS A 1 73 ? 13.369 -3.502 -10.119 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 1 -ATOM 1204 H HZ2 . LYS A 1 73 ? 13.799 -4.406 -8.771 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 1 -ATOM 1205 H HZ3 . LYS A 1 73 ? 14.396 -2.857 -8.950 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 1 -ATOM 1206 N N . VAL A 1 74 ? 12.976 3.841 -6.550 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 1 -ATOM 1207 C CA . VAL A 1 74 ? 12.331 5.142 -6.227 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 1 -ATOM 1208 C C . VAL A 1 74 ? 10.786 5.054 -6.480 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 1 -ATOM 1209 O O . VAL A 1 74 ? 10.098 6.037 -6.792 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 1 -ATOM 1210 C CB . VAL A 1 74 ? 13.009 6.345 -7.016 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 1 -ATOM 1211 C CG1 . VAL A 1 74 ? 12.491 7.714 -6.555 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 1 -ATOM 1212 C CG2 . VAL A 1 74 ? 14.532 6.300 -6.867 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 1 -ATOM 1213 H H . VAL A 1 74 ? 13.385 3.337 -5.816 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 1 -ATOM 1214 H HA . VAL A 1 74 ? 12.460 5.286 -5.163 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 1 -ATOM 1215 H HB . VAL A 1 74 ? 12.770 6.234 -8.064 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 1 -ATOM 1216 H HG11 . VAL A 1 74 ? 12.702 7.847 -5.504 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 1 -ATOM 1217 H HG12 . VAL A 1 74 ? 11.425 7.771 -6.715 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 1 -ATOM 1218 H HG13 . VAL A 1 74 ? 12.979 8.494 -7.122 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 1 -ATOM 1219 H HG21 . VAL A 1 74 ? 14.906 5.367 -7.262 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 1 -ATOM 1220 H HG22 . VAL A 1 74 ? 14.792 6.378 -5.823 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 1 -ATOM 1221 H HG23 . VAL A 1 74 ? 14.971 7.124 -7.409 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 1 -ATOM 1222 N N . VAL A 1 75 ? 10.239 3.882 -6.251 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 1 -ATOM 1223 C CA . VAL A 1 75 ? 8.824 3.656 -6.467 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 1 -ATOM 1224 C C . VAL A 1 75 ? 8.218 2.914 -5.280 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 1 -ATOM 1225 O O . VAL A 1 75 ? 8.850 2.043 -4.679 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 1 -ATOM 1226 C CB . VAL A 1 75 ? 8.534 2.891 -7.818 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 1 -ATOM 1227 C CG1 . VAL A 1 75 ? 9.142 1.510 -7.826 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 1 -ATOM 1228 C CG2 . VAL A 1 75 ? 7.044 2.810 -8.124 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 1 -ATOM 1229 H H . VAL A 1 75 ? 10.787 3.158 -5.881 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 1 -ATOM 1230 H HA . VAL A 1 75 ? 8.359 4.630 -6.517 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 1 -ATOM 1231 H HB . VAL A 1 75 ? 9.010 3.445 -8.612 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 1 -ATOM 1232 H HG11 . VAL A 1 75 ? 8.713 0.920 -7.031 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 1 -ATOM 1233 H HG12 . VAL A 1 75 ? 10.201 1.621 -7.666 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 1 -ATOM 1234 H HG13 . VAL A 1 75 ? 8.957 1.043 -8.782 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 1 -ATOM 1235 H HG21 . VAL A 1 75 ? 6.548 2.273 -7.328 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 1 -ATOM 1236 H HG22 . VAL A 1 75 ? 6.894 2.286 -9.056 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 1 -ATOM 1237 H HG23 . VAL A 1 75 ? 6.629 3.803 -8.197 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 1 -ATOM 1238 N N . VAL A 1 76 ? 7.045 3.309 -4.923 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 1 -ATOM 1239 C CA . VAL A 1 76 ? 6.286 2.703 -3.884 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 1 -ATOM 1240 C C . VAL A 1 76 ? 5.318 1.716 -4.534 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 1 -ATOM 1241 O O . VAL A 1 76 ? 4.475 2.103 -5.344 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 1 -ATOM 1242 C CB . VAL A 1 76 ? 5.515 3.786 -3.098 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 1 -ATOM 1243 C CG1 . VAL A 1 76 ? 4.643 3.175 -2.034 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 1 -ATOM 1244 C CG2 . VAL A 1 76 ? 6.482 4.788 -2.482 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 1 -ATOM 1245 H H . VAL A 1 76 ? 6.630 4.065 -5.395 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 1 -ATOM 1246 H HA . VAL A 1 76 ? 6.956 2.177 -3.220 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 1 -ATOM 1247 H HB . VAL A 1 76 ? 4.893 4.318 -3.802 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 1 -ATOM 1248 H HG11 . VAL A 1 76 ? 4.118 3.958 -1.506 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 1 -ATOM 1249 H HG12 . VAL A 1 76 ? 5.261 2.625 -1.339 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 1 -ATOM 1250 H HG13 . VAL A 1 76 ? 3.929 2.507 -2.490 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 1 -ATOM 1251 H HG21 . VAL A 1 76 ? 7.051 5.267 -3.265 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 1 -ATOM 1252 H HG22 . VAL A 1 76 ? 7.159 4.273 -1.816 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 1 -ATOM 1253 H HG23 . VAL A 1 76 ? 5.929 5.534 -1.931 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 1 -ATOM 1254 N N . PHE A 1 77 ? 5.461 0.470 -4.207 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 1 -ATOM 1255 C CA . PHE A 1 77 ? 4.691 -0.583 -4.823 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 1 -ATOM 1256 C C . PHE A 1 77 ? 3.664 -1.132 -3.847 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 1 -ATOM 1257 O O . PHE A 1 77 ? 4.020 -1.654 -2.788 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 1 -ATOM 1258 C CB . PHE A 1 77 ? 5.648 -1.693 -5.283 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 1 -ATOM 1259 C CG . PHE A 1 77 ? 4.995 -2.870 -5.954 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 1 -ATOM 1260 C CD1 . PHE A 1 77 ? 4.591 -2.794 -7.272 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 1 -ATOM 1261 C CD2 . PHE A 1 77 ? 4.809 -4.062 -5.268 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 1 -ATOM 1262 C CE1 . PHE A 1 77 ? 4.015 -3.878 -7.896 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 1 -ATOM 1263 C CE2 . PHE A 1 77 ? 4.230 -5.150 -5.886 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 1 -ATOM 1264 C CZ . PHE A 1 77 ? 3.835 -5.056 -7.204 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 1 -ATOM 1265 H H . PHE A 1 77 ? 6.093 0.235 -3.490 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 1 -ATOM 1266 H HA . PHE A 1 77 ? 4.188 -0.182 -5.690 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 1 -ATOM 1267 H HB2 . PHE A 1 77 ? 6.358 -1.273 -5.979 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 1 -ATOM 1268 H HB3 . PHE A 1 77 ? 6.189 -2.058 -4.423 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 1 -ATOM 1269 H HD1 . PHE A 1 77 ? 4.733 -1.872 -7.817 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 1 -ATOM 1270 H HD2 . PHE A 1 77 ? 5.120 -4.132 -4.236 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 1 -ATOM 1271 H HE1 . PHE A 1 77 ? 3.704 -3.802 -8.927 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 1 -ATOM 1272 H HE2 . PHE A 1 77 ? 4.090 -6.073 -5.344 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 1 -ATOM 1273 H HZ . PHE A 1 77 ? 3.383 -5.903 -7.697 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 1 -ATOM 1274 N N . VAL A 1 78 ? 2.402 -0.998 -4.188 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 1 -ATOM 1275 C CA . VAL A 1 78 ? 1.333 -1.529 -3.371 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 1 -ATOM 1276 C C . VAL A 1 78 ? 1.248 -3.023 -3.599 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 1 -ATOM 1277 O O . VAL A 1 78 ? 1.040 -3.475 -4.732 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 1 -ATOM 1278 C CB . VAL A 1 78 ? -0.034 -0.867 -3.708 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 1 -ATOM 1279 C CG1 . VAL A 1 78 ? -1.171 -1.466 -2.878 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 1 -ATOM 1280 C CG2 . VAL A 1 78 ? 0.041 0.639 -3.502 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 1 -ATOM 1281 H H . VAL A 1 78 ? 2.179 -0.532 -5.025 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 1 -ATOM 1282 H HA . VAL A 1 78 ? 1.576 -1.341 -2.335 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 1 -ATOM 1283 H HB . VAL A 1 78 ? -0.251 -1.055 -4.749 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 1 -ATOM 1284 H HG11 . VAL A 1 78 ? -1.265 -2.518 -3.106 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 1 -ATOM 1285 H HG12 . VAL A 1 78 ? -2.101 -0.966 -3.102 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 1 -ATOM 1286 H HG13 . VAL A 1 78 ? -0.948 -1.353 -1.827 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 1 -ATOM 1287 H HG21 . VAL A 1 78 ? 0.327 0.852 -2.483 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 1 -ATOM 1288 H HG22 . VAL A 1 78 ? -0.923 1.079 -3.706 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 1 -ATOM 1289 H HG23 . VAL A 1 78 ? 0.777 1.055 -4.175 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 1 -ATOM 1290 N N . ILE A 1 79 ? 1.406 -3.777 -2.534 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 1 -ATOM 1291 C CA . ILE A 1 79 ? 1.391 -5.218 -2.629 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 1 -ATOM 1292 C C . ILE A 1 79 ? -0.019 -5.717 -2.384 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 1 -ATOM 1293 O O . ILE A 1 79 ? -0.510 -6.616 -3.062 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 1 -ATOM 1294 C CB . ILE A 1 79 ? 2.330 -5.884 -1.572 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 1 -ATOM 1295 C CG1 . ILE A 1 79 ? 3.751 -5.287 -1.621 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 1 -ATOM 1296 C CG2 . ILE A 1 79 ? 2.391 -7.397 -1.812 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 1 -ATOM 1297 C CD1 . ILE A 1 79 ? 4.689 -5.824 -0.539 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 1 -ATOM 1298 H H . ILE A 1 79 ? 1.526 -3.355 -1.657 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 1 -ATOM 1299 H HA . ILE A 1 79 ? 1.716 -5.506 -3.618 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 1 -ATOM 1300 H HB . ILE A 1 79 ? 1.904 -5.715 -0.593 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 1 -ATOM 1301 H HG12 . ILE A 1 79 ? 4.192 -5.512 -2.580 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 1 -ATOM 1302 H HG13 . ILE A 1 79 ? 3.685 -4.215 -1.506 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 1 -ATOM 1303 H HG21 . ILE A 1 79 ? 3.063 -7.849 -1.099 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 1 -ATOM 1304 H HG22 . ILE A 1 79 ? 2.749 -7.589 -2.812 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 1 -ATOM 1305 H HG23 . ILE A 1 79 ? 1.403 -7.819 -1.696 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 1 -ATOM 1306 H HD11 . ILE A 1 79 ? 5.662 -5.366 -0.636 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 1 -ATOM 1307 H HD12 . ILE A 1 79 ? 4.790 -6.894 -0.638 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 1 -ATOM 1308 H HD13 . ILE A 1 79 ? 4.289 -5.604 0.440 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 1 -ATOM 1309 N N . SER A 1 80 ? -0.679 -5.132 -1.408 1.00 0.00 ? ? ? ? ? ? 77 SER A N 1 -ATOM 1310 C CA . SER A 1 80 ? -1.995 -5.568 -1.037 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 1 -ATOM 1311 C C . SER A 1 80 ? -2.823 -4.417 -0.518 1.00 0.00 ? ? ? ? ? ? 77 SER A C 1 -ATOM 1312 O O . SER A 1 80 ? -2.288 -3.428 0.002 1.00 0.00 ? ? ? ? ? ? 77 SER A O 1 -ATOM 1313 C CB . SER A 1 80 ? -1.889 -6.646 0.030 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 1 -ATOM 1314 O OG . SER A 1 80 ? -1.141 -7.735 -0.442 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 1 -ATOM 1315 H H . SER A 1 80 ? -0.289 -4.379 -0.911 1.00 0.00 ? ? ? ? ? ? 77 SER A H 1 -ATOM 1316 H HA . SER A 1 80 ? -2.473 -5.997 -1.904 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 1 -ATOM 1317 H HB2 . SER A 1 80 ? -1.389 -6.239 0.897 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 1 -ATOM 1318 H HB3 . SER A 1 80 ? -2.876 -6.988 0.301 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 1 -ATOM 1319 H HG . SER A 1 80 ? -0.940 -7.582 -1.375 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 1 -ATOM 1320 N N . VAL A 1 81 ? -4.111 -4.542 -0.662 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 1 -ATOM 1321 C CA . VAL A 1 81 ? -5.033 -3.566 -0.196 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 1 -ATOM 1322 C C . VAL A 1 81 ? -6.322 -4.283 0.196 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 1 -ATOM 1323 O O . VAL A 1 81 ? -6.723 -5.253 -0.459 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 1 -ATOM 1324 C CB . VAL A 1 81 ? -5.283 -2.462 -1.277 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 1 -ATOM 1325 C CG1 . VAL A 1 81 ? -5.882 -3.027 -2.553 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 1 -ATOM 1326 C CG2 . VAL A 1 81 ? -6.129 -1.336 -0.732 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 1 -ATOM 1327 H H . VAL A 1 81 ? -4.499 -5.333 -1.095 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 1 -ATOM 1328 H HA . VAL A 1 81 ? -4.609 -3.113 0.689 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 1 -ATOM 1329 H HB . VAL A 1 81 ? -4.317 -2.058 -1.540 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 1 -ATOM 1330 H HG11 . VAL A 1 81 ? -6.825 -3.502 -2.325 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 1 -ATOM 1331 H HG12 . VAL A 1 81 ? -5.208 -3.756 -2.977 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 1 -ATOM 1332 H HG13 . VAL A 1 81 ? -6.043 -2.228 -3.262 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 1 -ATOM 1333 H HG21 . VAL A 1 81 ? -5.622 -0.896 0.114 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 1 -ATOM 1334 H HG22 . VAL A 1 81 ? -7.091 -1.718 -0.423 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 1 -ATOM 1335 H HG23 . VAL A 1 81 ? -6.261 -0.586 -1.497 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 1 -ATOM 1336 N N . GLY A 1 82 ? -6.909 -3.880 1.284 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 1 -ATOM 1337 C CA . GLY A 1 82 ? -8.124 -4.485 1.727 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 1 -ATOM 1338 C C . GLY A 1 82 ? -8.277 -4.378 3.212 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 1 -ATOM 1339 O O . GLY A 1 82 ? -8.375 -3.293 3.747 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 1 -ATOM 1340 H H . GLY A 1 82 ? -6.512 -3.158 1.826 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 1 -ATOM 1341 H HA2 . GLY A 1 82 ? -8.953 -3.985 1.249 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 1 -ATOM 1342 H HA3 . GLY A 1 82 ? -8.132 -5.526 1.444 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 1 -ATOM 1343 N N . LYS A 1 83 ? -8.262 -5.486 3.886 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 1 -ATOM 1344 C CA . LYS A 1 83 ? -8.451 -5.514 5.320 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 1 -ATOM 1345 C C . LYS A 1 83 ? -7.310 -6.295 5.950 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 1 -ATOM 1346 O O . LYS A 1 83 ? -6.701 -7.128 5.281 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 1 -ATOM 1347 C CB . LYS A 1 83 ? -9.831 -6.088 5.632 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 1 -ATOM 1348 C CG . LYS A 1 83 ? -10.949 -5.197 5.095 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 1 -ATOM 1349 C CD . LYS A 1 83 ? -12.330 -5.798 5.229 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 1 -ATOM 1350 C CE . LYS A 1 83 ? -12.742 -6.005 6.669 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 1 -ATOM 1351 N NZ . LYS A 1 83 ? -14.142 -6.466 6.759 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 1 -ATOM 1352 H H . LYS A 1 83 ? -8.102 -6.340 3.432 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 1 -ATOM 1353 H HA . LYS A 1 83 ? -8.395 -4.493 5.669 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 1 -ATOM 1354 H HB2 . LYS A 1 83 ? -9.915 -7.066 5.180 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 1 -ATOM 1355 H HB3 . LYS A 1 83 ? -9.946 -6.174 6.702 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 1 -ATOM 1356 H HG2 . LYS A 1 83 ? -10.935 -4.264 5.636 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 1 -ATOM 1357 H HG3 . LYS A 1 83 ? -10.750 -4.998 4.051 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 1 -ATOM 1358 H HD2 . LYS A 1 83 ? -13.040 -5.133 4.761 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 1 -ATOM 1359 H HD3 . LYS A 1 83 ? -12.338 -6.747 4.715 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 1 -ATOM 1360 H HE2 . LYS A 1 83 ? -12.097 -6.750 7.110 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 1 -ATOM 1361 H HE3 . LYS A 1 83 ? -12.639 -5.075 7.207 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 1 -ATOM 1362 H HZ1 . LYS A 1 83 ? -14.413 -6.633 7.749 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 1 -ATOM 1363 H HZ2 . LYS A 1 83 ? -14.296 -7.339 6.219 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 1 -ATOM 1364 H HZ3 . LYS A 1 83 ? -14.778 -5.734 6.381 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 1 -ATOM 1365 N N . ALA A 1 84 ? -7.009 -6.044 7.214 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 1 -ATOM 1366 C CA . ALA A 1 84 ? -5.786 -6.593 7.797 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 1 -ATOM 1367 C C . ALA A 1 84 ? -5.992 -7.296 9.132 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 1 -ATOM 1368 O O . ALA A 1 84 ? -5.027 -7.747 9.747 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 1 -ATOM 1369 C CB . ALA A 1 84 ? -4.761 -5.486 7.949 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 1 -ATOM 1370 H H . ALA A 1 84 ? -7.625 -5.521 7.767 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 1 -ATOM 1371 H HA . ALA A 1 84 ? -5.378 -7.305 7.095 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 1 -ATOM 1372 H HB1 . ALA A 1 84 ? -3.831 -5.881 8.326 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 1 -ATOM 1373 H HB2 . ALA A 1 84 ? -5.139 -4.746 8.639 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 1 -ATOM 1374 H HB3 . ALA A 1 84 ? -4.592 -5.022 6.989 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 1 -ATOM 1375 N N . GLU A 1 85 ? -7.220 -7.448 9.558 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 1 -ATOM 1376 C CA . GLU A 1 85 ? -7.491 -8.071 10.849 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 1 -ATOM 1377 C C . GLU A 1 85 ? -7.386 -9.588 10.781 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 1 -ATOM 1378 O O . GLU A 1 85 ? -7.311 -10.258 11.804 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 1 -ATOM 1379 C CB . GLU A 1 85 ? -8.829 -7.612 11.497 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 1 -ATOM 1380 C CG . GLU A 1 85 ? -10.087 -7.785 10.653 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 1 -ATOM 1381 C CD . GLU A 1 85 ? -10.158 -6.817 9.506 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 1 -ATOM 1382 O OE1 . GLU A 1 85 ? -9.599 -7.110 8.448 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 1 -ATOM 1383 O OE2 . GLU A 1 85 ? -10.730 -5.733 9.664 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 1 -ATOM 1384 H H . GLU A 1 85 ? -7.988 -7.179 8.998 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 1 -ATOM 1385 H HA . GLU A 1 85 ? -6.679 -7.750 11.486 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 1 -ATOM 1386 H HB2 . GLU A 1 85 ? -8.974 -8.183 12.403 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 1 -ATOM 1387 H HB3 . GLU A 1 85 ? -8.738 -6.570 11.764 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 1 -ATOM 1388 H HG2 . GLU A 1 85 ? -10.079 -8.788 10.253 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 1 -ATOM 1389 H HG3 . GLU A 1 85 ? -10.954 -7.654 11.283 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 1 -ATOM 1390 N N . ALA A 1 86 ? -7.393 -10.126 9.579 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 1 -ATOM 1391 C CA . ALA A 1 86 ? -7.199 -11.553 9.391 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 1 -ATOM 1392 C C . ALA A 1 86 ? -5.763 -11.818 8.951 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 1 -ATOM 1393 O O . ALA A 1 86 ? -5.353 -12.953 8.776 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 1 -ATOM 1394 C CB . ALA A 1 86 ? -8.193 -12.098 8.376 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 1 -ATOM 1395 H H . ALA A 1 86 ? -7.549 -9.561 8.791 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 1 -ATOM 1396 H HA . ALA A 1 86 ? -7.365 -12.036 10.342 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 1 -ATOM 1397 H HB1 . ALA A 1 86 ? -8.044 -11.606 7.427 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 1 -ATOM 1398 H HB2 . ALA A 1 86 ? -9.200 -11.915 8.721 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 1 -ATOM 1399 H HB3 . ALA A 1 86 ? -8.040 -13.160 8.256 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 1 -ATOM 1400 N N . SER A 1 87 ? -5.015 -10.723 8.774 1.00 0.00 ? ? ? ? ? ? 84 SER A N 1 -ATOM 1401 C CA . SER A 1 87 ? -3.601 -10.728 8.383 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 1 -ATOM 1402 C C . SER A 1 87 ? -3.343 -11.324 6.976 1.00 0.00 ? ? ? ? ? ? 84 SER A C 1 -ATOM 1403 O O . SER A 1 87 ? -2.193 -11.560 6.586 1.00 0.00 ? ? ? ? ? ? 84 SER A O 1 -ATOM 1404 C CB . SER A 1 87 ? -2.745 -11.415 9.453 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 1 -ATOM 1405 O OG . SER A 1 87 ? -2.888 -10.747 10.702 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 1 -ATOM 1406 H H . SER A 1 87 ? -5.442 -9.859 8.940 1.00 0.00 ? ? ? ? ? ? 84 SER A H 1 -ATOM 1407 H HA . SER A 1 87 ? -3.328 -9.685 8.359 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 1 -ATOM 1408 H HB2 . SER A 1 87 ? -3.064 -12.442 9.563 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 1 -ATOM 1409 H HB3 . SER A 1 87 ? -1.707 -11.387 9.157 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 1 -ATOM 1410 H HG . SER A 1 87 ? -3.632 -11.163 11.159 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 1 -ATOM 1411 N N . GLU A 1 88 ? -4.394 -11.458 6.194 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 1 -ATOM 1412 C CA . GLU A 1 88 ? -4.331 -12.064 4.874 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 1 -ATOM 1413 C C . GLU A 1 88 ? -3.518 -11.224 3.891 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 1 -ATOM 1414 O O . GLU A 1 88 ? -2.911 -11.754 2.955 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 1 -ATOM 1415 C CB . GLU A 1 88 ? -5.733 -12.317 4.359 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 1 -ATOM 1416 C CG . GLU A 1 88 ? -6.543 -13.238 5.259 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 1 -ATOM 1417 C CD . GLU A 1 88 ? -5.926 -14.607 5.402 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 1 -ATOM 1418 O OE1 . GLU A 1 88 ? -5.020 -14.793 6.234 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 1 -ATOM 1419 O OE2 . GLU A 1 88 ? -6.340 -15.531 4.682 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 1 -ATOM 1420 H H . GLU A 1 88 ? -5.268 -11.152 6.518 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 1 -ATOM 1421 H HA . GLU A 1 88 ? -3.836 -13.017 4.988 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 1 -ATOM 1422 H HB2 . GLU A 1 88 ? -6.251 -11.373 4.272 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 1 -ATOM 1423 H HB3 . GLU A 1 88 ? -5.667 -12.769 3.384 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 1 -ATOM 1424 H HG2 . GLU A 1 88 ? -6.611 -12.793 6.240 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 1 -ATOM 1425 H HG3 . GLU A 1 88 ? -7.532 -13.341 4.840 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 1 -ATOM 1426 N N . VAL A 1 89 ? -3.498 -9.922 4.105 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 1 -ATOM 1427 C CA . VAL A 1 89 ? -2.710 -9.024 3.261 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 1 -ATOM 1428 C C . VAL A 1 89 ? -1.210 -9.167 3.544 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 1 -ATOM 1429 O O . VAL A 1 89 ? -0.374 -8.862 2.704 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 1 -ATOM 1430 C CB . VAL A 1 89 ? -3.146 -7.532 3.389 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 1 -ATOM 1431 C CG1 . VAL A 1 89 ? -4.545 -7.334 2.827 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 1 -ATOM 1432 C CG2 . VAL A 1 89 ? -3.094 -7.067 4.840 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 1 -ATOM 1433 H H . VAL A 1 89 ? -4.038 -9.569 4.843 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 1 -ATOM 1434 H HA . VAL A 1 89 ? -2.869 -9.342 2.241 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 1 -ATOM 1435 H HB . VAL A 1 89 ? -2.462 -6.924 2.811 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 1 -ATOM 1436 H HG11 . VAL A 1 89 ? -5.242 -7.950 3.376 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 1 -ATOM 1437 H HG12 . VAL A 1 89 ? -4.558 -7.619 1.786 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 1 -ATOM 1438 H HG13 . VAL A 1 89 ? -4.830 -6.296 2.920 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 1 -ATOM 1439 H HG21 . VAL A 1 89 ? -3.763 -7.673 5.433 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 1 -ATOM 1440 H HG22 . VAL A 1 89 ? -3.398 -6.032 4.899 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 1 -ATOM 1441 H HG23 . VAL A 1 89 ? -2.087 -7.171 5.215 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 1 -ATOM 1442 N N . TYR A 1 90 ? -0.875 -9.683 4.715 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 1 -ATOM 1443 C CA . TYR A 1 90 ? 0.521 -9.859 5.076 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 1 -ATOM 1444 C C . TYR A 1 90 ? 1.037 -11.123 4.443 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 1 -ATOM 1445 O O . TYR A 1 90 ? 2.222 -11.252 4.192 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 1 -ATOM 1446 C CB . TYR A 1 90 ? 0.725 -9.905 6.594 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 1 -ATOM 1447 C CG . TYR A 1 90 ? 0.258 -8.662 7.318 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 1 -ATOM 1448 C CD1 . TYR A 1 90 ? -1.071 -8.498 7.628 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 1 -ATOM 1449 C CD2 . TYR A 1 90 ? 1.143 -7.657 7.681 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 1 -ATOM 1450 C CE1 . TYR A 1 90 ? -1.526 -7.385 8.280 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 1 -ATOM 1451 C CE2 . TYR A 1 90 ? 0.697 -6.527 8.341 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 1 -ATOM 1452 C CZ . TYR A 1 90 ? -0.644 -6.399 8.639 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 1 -ATOM 1453 O OH . TYR A 1 90 ? -1.104 -5.274 9.284 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 1 -ATOM 1454 H H . TYR A 1 90 ? -1.572 -9.976 5.340 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 1 -ATOM 1455 H HA . TYR A 1 90 ? 1.067 -9.023 4.665 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 1 -ATOM 1456 H HB2 . TYR A 1 90 ? 0.189 -10.750 6.999 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 1 -ATOM 1457 H HB3 . TYR A 1 90 ? 1.778 -10.031 6.796 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 1 -ATOM 1458 H HD1 . TYR A 1 90 ? -1.756 -9.279 7.337 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 1 -ATOM 1459 H HD2 . TYR A 1 90 ? 2.193 -7.765 7.448 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 1 -ATOM 1460 H HE1 . TYR A 1 90 ? -2.575 -7.301 8.511 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 1 -ATOM 1461 H HE2 . TYR A 1 90 ? 1.394 -5.751 8.619 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 1 -ATOM 1462 H HH . TYR A 1 90 ? -0.558 -4.527 9.013 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 1 -ATOM 1463 N N . SER A 1 91 ? 0.120 -12.041 4.154 1.00 0.00 ? ? ? ? ? ? 88 SER A N 1 -ATOM 1464 C CA . SER A 1 91 ? 0.450 -13.285 3.494 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 1 -ATOM 1465 C C . SER A 1 91 ? 0.994 -13.002 2.079 1.00 0.00 ? ? ? ? ? ? 88 SER A C 1 -ATOM 1466 O O . SER A 1 91 ? 1.906 -13.680 1.603 1.00 0.00 ? ? ? ? ? ? 88 SER A O 1 -ATOM 1467 C CB . SER A 1 91 ? -0.789 -14.182 3.459 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 1 -ATOM 1468 O OG . SER A 1 91 ? -1.316 -14.346 4.782 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 1 -ATOM 1469 H H . SER A 1 91 ? -0.816 -11.889 4.404 1.00 0.00 ? ? ? ? ? ? 88 SER A H 1 -ATOM 1470 H HA . SER A 1 91 ? 1.224 -13.768 4.071 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 1 -ATOM 1471 H HB2 . SER A 1 91 ? -1.545 -13.727 2.834 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 1 -ATOM 1472 H HB3 . SER A 1 91 ? -0.523 -15.150 3.065 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 1 -ATOM 1473 H HG . SER A 1 91 ? -0.573 -14.629 5.333 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 1 -ATOM 1474 N N . GLU A 1 92 ? 0.447 -11.977 1.434 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 1 -ATOM 1475 C CA . GLU A 1 92 ? 0.956 -11.529 0.152 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 1 -ATOM 1476 C C . GLU A 1 92 ? 2.283 -10.837 0.333 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 1 -ATOM 1477 O O . GLU A 1 92 ? 3.262 -11.185 -0.310 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 1 -ATOM 1478 C CB . GLU A 1 92 ? -0.015 -10.578 -0.525 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 1 -ATOM 1479 C CG . GLU A 1 92 ? -1.191 -11.234 -1.201 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 1 -ATOM 1480 C CD . GLU A 1 92 ? -0.752 -12.080 -2.365 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 1 -ATOM 1481 O OE1 . GLU A 1 92 ? -0.017 -11.576 -3.240 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 1 -ATOM 1482 O OE2 . GLU A 1 92 ? -1.098 -13.286 -2.412 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 1 -ATOM 1483 H H . GLU A 1 92 ? -0.316 -11.508 1.832 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 1 -ATOM 1484 H HA . GLU A 1 92 ? 1.095 -12.395 -0.477 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 1 -ATOM 1485 H HB2 . GLU A 1 92 ? -0.396 -9.891 0.216 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 1 -ATOM 1486 H HB3 . GLU A 1 92 ? 0.528 -10.012 -1.268 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 1 -ATOM 1487 H HG2 . GLU A 1 92 ? -1.698 -11.863 -0.483 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 1 -ATOM 1488 H HG3 . GLU A 1 92 ? -1.866 -10.471 -1.559 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 1 -ATOM 1489 N N . ALA A 1 93 ? 2.311 -9.894 1.259 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 1 -ATOM 1490 C CA . ALA A 1 93 ? 3.485 -9.085 1.528 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 1 -ATOM 1491 C C . ALA A 1 93 ? 4.728 -9.920 1.848 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 1 -ATOM 1492 O O . ALA A 1 93 ? 5.768 -9.756 1.213 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 1 -ATOM 1493 C CB . ALA A 1 93 ? 3.194 -8.092 2.643 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 1 -ATOM 1494 H H . ALA A 1 93 ? 1.491 -9.723 1.769 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 1 -ATOM 1495 H HA . ALA A 1 93 ? 3.699 -8.517 0.636 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 1 -ATOM 1496 H HB1 . ALA A 1 93 ? 2.301 -7.533 2.402 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 1 -ATOM 1497 H HB2 . ALA A 1 93 ? 4.026 -7.411 2.744 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 1 -ATOM 1498 H HB3 . ALA A 1 93 ? 3.048 -8.625 3.571 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 1 -ATOM 1499 N N . VAL A 1 94 ? 4.604 -10.844 2.788 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 1 -ATOM 1500 C CA . VAL A 1 94 ? 5.745 -11.632 3.236 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 1 -ATOM 1501 C C . VAL A 1 94 ? 6.269 -12.575 2.122 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 1 -ATOM 1502 O O . VAL A 1 94 ? 7.483 -12.718 1.933 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 1 -ATOM 1503 C CB . VAL A 1 94 ? 5.431 -12.413 4.562 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 1 -ATOM 1504 C CG1 . VAL A 1 94 ? 4.418 -13.540 4.369 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 1 -ATOM 1505 C CG2 . VAL A 1 94 ? 6.698 -12.916 5.225 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 1 -ATOM 1506 H H . VAL A 1 94 ? 3.721 -10.994 3.196 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 1 -ATOM 1507 H HA . VAL A 1 94 ? 6.536 -10.924 3.438 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 1 -ATOM 1508 H HB . VAL A 1 94 ? 4.969 -11.701 5.230 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 1 -ATOM 1509 H HG11 . VAL A 1 94 ? 3.488 -13.128 4.004 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 1 -ATOM 1510 H HG12 . VAL A 1 94 ? 4.246 -14.039 5.312 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 1 -ATOM 1511 H HG13 . VAL A 1 94 ? 4.804 -14.249 3.650 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 1 -ATOM 1512 H HG21 . VAL A 1 94 ? 6.447 -13.455 6.127 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 1 -ATOM 1513 H HG22 . VAL A 1 94 ? 7.334 -12.078 5.469 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 1 -ATOM 1514 H HG23 . VAL A 1 94 ? 7.212 -13.573 4.542 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 1 -ATOM 1515 N N . LYS A 1 95 ? 5.355 -13.145 1.343 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 1 -ATOM 1516 C CA . LYS A 1 95 ? 5.719 -14.068 0.264 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 1 -ATOM 1517 C C . LYS A 1 95 ? 6.252 -13.333 -0.956 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 1 -ATOM 1518 O O . LYS A 1 95 ? 7.011 -13.901 -1.759 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 1 -ATOM 1519 C CB . LYS A 1 95 ? 4.523 -14.937 -0.140 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 1 -ATOM 1520 C CG . LYS A 1 95 ? 4.150 -16.035 0.850 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 1 -ATOM 1521 C CD . LYS A 1 95 ? 5.230 -17.109 0.918 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 1 -ATOM 1522 C CE . LYS A 1 95 ? 4.790 -18.297 1.761 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 1 -ATOM 1523 N NZ . LYS A 1 95 ? 4.597 -17.951 3.182 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 1 -ATOM 1524 H H . LYS A 1 95 ? 4.408 -12.938 1.490 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 1 -ATOM 1525 H HA . LYS A 1 95 ? 6.498 -14.714 0.641 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 1 -ATOM 1526 H HB2 . LYS A 1 95 ? 3.663 -14.295 -0.257 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 1 -ATOM 1527 H HB3 . LYS A 1 95 ? 4.742 -15.400 -1.092 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 1 -ATOM 1528 H HG2 . LYS A 1 95 ? 4.029 -15.597 1.829 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 1 -ATOM 1529 H HG3 . LYS A 1 95 ? 3.220 -16.489 0.540 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 1 -ATOM 1530 H HD2 . LYS A 1 95 ? 5.444 -17.453 -0.083 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 1 -ATOM 1531 H HD3 . LYS A 1 95 ? 6.122 -16.685 1.353 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 1 -ATOM 1532 H HE2 . LYS A 1 95 ? 3.852 -18.660 1.367 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 1 -ATOM 1533 H HE3 . LYS A 1 95 ? 5.529 -19.080 1.679 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 1 -ATOM 1534 H HZ1 . LYS A 1 95 ? 5.502 -17.670 3.612 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 1 -ATOM 1535 H HZ2 . LYS A 1 95 ? 4.227 -18.765 3.710 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 1 -ATOM 1536 H HZ3 . LYS A 1 95 ? 3.927 -17.166 3.293 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 1 -ATOM 1537 N N . ARG A 1 96 ? 5.867 -12.087 -1.098 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 1 -ATOM 1538 C CA . ARG A 1 96 ? 6.257 -11.306 -2.245 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 1 -ATOM 1539 C C . ARG A 1 96 ? 7.692 -10.824 -2.103 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 1 -ATOM 1540 O O . ARG A 1 96 ? 8.397 -10.624 -3.104 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 1 -ATOM 1541 C CB . ARG A 1 96 ? 5.336 -10.103 -2.411 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 1 -ATOM 1542 C CG . ARG A 1 96 ? 5.468 -9.415 -3.753 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 1 -ATOM 1543 C CD . ARG A 1 96 ? 4.921 -10.293 -4.872 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 1 -ATOM 1544 N NE . ARG A 1 96 ? 3.481 -10.522 -4.705 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 1 -ATOM 1545 C CZ . ARG A 1 96 ? 2.547 -9.988 -5.493 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 1 -ATOM 1546 N NH1 . ARG A 1 96 ? 2.905 -9.432 -6.652 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 1 -ATOM 1547 N NH2 . ARG A 1 96 ? 1.252 -10.068 -5.170 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 1 -ATOM 1548 H H . ARG A 1 96 ? 5.269 -11.684 -0.429 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 1 -ATOM 1549 H HA . ARG A 1 96 ? 6.173 -11.931 -3.121 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 1 -ATOM 1550 H HB2 . ARG A 1 96 ? 4.314 -10.431 -2.297 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 1 -ATOM 1551 H HB3 . ARG A 1 96 ? 5.564 -9.385 -1.637 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 1 -ATOM 1552 H HG2 . ARG A 1 96 ? 4.917 -8.486 -3.731 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 1 -ATOM 1553 H HG3 . ARG A 1 96 ? 6.512 -9.214 -3.943 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 1 -ATOM 1554 H HD2 . ARG A 1 96 ? 5.096 -9.799 -5.815 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 1 -ATOM 1555 H HD3 . ARG A 1 96 ? 5.431 -11.245 -4.869 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 1 -ATOM 1556 H HE . ARG A 1 96 ? 3.230 -11.060 -3.915 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 1 -ATOM 1557 H HH11 . ARG A 1 96 ? 3.848 -9.393 -6.986 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 1 -ATOM 1558 H HH12 . ARG A 1 96 ? 2.220 -8.996 -7.255 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 1 -ATOM 1559 H HH21 . ARG A 1 96 ? 0.898 -10.533 -4.343 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 1 -ATOM 1560 H HH22 . ARG A 1 96 ? 0.553 -9.614 -5.743 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 1 -ATOM 1561 N N . ILE A 1 97 ? 8.131 -10.649 -0.869 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 1 -ATOM 1562 C CA . ILE A 1 97 ? 9.458 -10.133 -0.617 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 1 -ATOM 1563 C C . ILE A 1 97 ? 10.526 -11.227 -0.748 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 1 -ATOM 1564 O O . ILE A 1 97 ? 10.917 -11.870 0.247 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 1 -ATOM 1565 C CB . ILE A 1 97 ? 9.588 -9.410 0.758 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 1 -ATOM 1566 C CG1 . ILE A 1 97 ? 8.513 -8.313 0.918 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 1 -ATOM 1567 C CG2 . ILE A 1 97 ? 10.974 -8.796 0.904 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 1 -ATOM 1568 C CD1 . ILE A 1 97 ? 8.543 -7.225 -0.142 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 1 -ATOM 1569 H H . ILE A 1 97 ? 7.544 -10.873 -0.116 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 1 -ATOM 1570 H HA . ILE A 1 97 ? 9.651 -9.412 -1.398 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 1 -ATOM 1571 H HB . ILE A 1 97 ? 9.457 -10.146 1.537 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 1 -ATOM 1572 H HG12 . ILE A 1 97 ? 7.535 -8.770 0.880 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 1 -ATOM 1573 H HG13 . ILE A 1 97 ? 8.639 -7.841 1.882 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 1 -ATOM 1574 H HG21 . ILE A 1 97 ? 11.110 -8.031 0.155 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 1 -ATOM 1575 H HG22 . ILE A 1 97 ? 11.715 -9.567 0.758 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 1 -ATOM 1576 H HG23 . ILE A 1 97 ? 11.081 -8.368 1.889 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 1 -ATOM 1577 H HD11 . ILE A 1 97 ? 8.365 -7.659 -1.114 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 1 -ATOM 1578 H HD12 . ILE A 1 97 ? 9.509 -6.743 -0.135 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 1 -ATOM 1579 H HD13 . ILE A 1 97 ? 7.775 -6.495 0.072 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 1 -ATOM 1580 N N . LEU A 1 98 ? 10.857 -11.500 -1.995 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 1 -ATOM 1581 C CA . LEU A 1 98 ? 11.906 -12.344 -2.461 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 1 -ATOM 1582 C C . LEU A 1 98 ? 11.616 -12.473 -3.945 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 1 -ATOM 1583 O O . LEU A 1 98 ? 11.999 -11.575 -4.708 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 1 -ATOM 1584 C CB . LEU A 1 98 ? 11.856 -13.720 -1.799 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 1 -ATOM 1585 C CG . LEU A 1 98 ? 13.144 -14.548 -1.779 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 1 -ATOM 1586 C CD1 . LEU A 1 98 ? 13.693 -14.876 -3.168 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 1 -ATOM 1587 C CD2 . LEU A 1 98 ? 14.209 -13.906 -0.901 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 1 -ATOM 1588 O OXT . LEU A 1 98 ? 10.887 -13.414 -4.333 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 1 -ATOM 1589 H H . LEU A 1 98 ? 10.319 -11.143 -2.727 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 1 -ATOM 1590 H HA . LEU A 1 98 ? 12.857 -11.856 -2.305 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 1 -ATOM 1591 H HB2 . LEU A 1 98 ? 11.554 -13.570 -0.772 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 1 -ATOM 1592 H HB3 . LEU A 1 98 ? 11.088 -14.294 -2.293 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 1 -ATOM 1593 H HG . LEU A 1 98 ? 12.829 -15.453 -1.297 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 1 -ATOM 1594 H HD11 . LEU A 1 98 ? 14.607 -15.441 -3.065 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 1 -ATOM 1595 H HD12 . LEU A 1 98 ? 13.896 -13.960 -3.702 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 1 -ATOM 1596 H HD13 . LEU A 1 98 ? 12.972 -15.461 -3.721 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 1 -ATOM 1597 H HD21 . LEU A 1 98 ? 14.444 -12.920 -1.275 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 1 -ATOM 1598 H HD22 . LEU A 1 98 ? 15.101 -14.515 -0.917 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 1 -ATOM 1599 H HD23 . LEU A 1 98 ? 13.843 -13.829 0.111 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 1 -ATOM 1600 N N . MET A 1 4 ? 10.726 15.915 -2.601 1.00 0.00 ? ? ? ? ? ? 1 MET A N 2 -ATOM 1601 C CA . MET A 1 4 ? 10.985 14.608 -3.191 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 2 -ATOM 1602 C C . MET A 1 4 ? 9.729 13.782 -3.156 1.00 0.00 ? ? ? ? ? ? 1 MET A C 2 -ATOM 1603 O O . MET A 1 4 ? 9.013 13.777 -2.164 1.00 0.00 ? ? ? ? ? ? 1 MET A O 2 -ATOM 1604 C CB . MET A 1 4 ? 12.117 13.889 -2.453 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 2 -ATOM 1605 C CG . MET A 1 4 ? 12.424 12.491 -2.970 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 2 -ATOM 1606 S SD . MET A 1 4 ? 12.894 12.483 -4.711 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 2 -ATOM 1607 C CE . MET A 1 4 ? 13.101 10.732 -4.985 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 2 -ATOM 1608 H H . MET A 1 4 ? 10.407 15.795 -1.620 1.00 0.00 ? ? ? ? ? ? 1 MET A H 2 -ATOM 1609 H HA . MET A 1 4 ? 11.269 14.755 -4.221 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 2 -ATOM 1610 H HB2 . MET A 1 4 ? 13.016 14.479 -2.543 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 2 -ATOM 1611 H HB3 . MET A 1 4 ? 11.835 13.807 -1.416 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 2 -ATOM 1612 H HG2 . MET A 1 4 ? 13.236 12.074 -2.392 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 2 -ATOM 1613 H HG3 . MET A 1 4 ? 11.547 11.874 -2.846 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 2 -ATOM 1614 H HE1 . MET A 1 4 ? 13.394 10.563 -6.011 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 2 -ATOM 1615 H HE2 . MET A 1 4 ? 12.168 10.226 -4.785 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 2 -ATOM 1616 H HE3 . MET A 1 4 ? 13.866 10.356 -4.324 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 2 -ATOM 1617 N N . ALA A 1 5 ? 9.466 13.101 -4.228 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 2 -ATOM 1618 C CA . ALA A 1 5 ? 8.300 12.265 -4.342 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 2 -ATOM 1619 C C . ALA A 1 5 ? 8.678 10.977 -5.035 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 2 -ATOM 1620 O O . ALA A 1 5 ? 9.739 10.887 -5.655 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 2 -ATOM 1621 C CB . ALA A 1 5 ? 7.195 12.981 -5.112 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 2 -ATOM 1622 H H . ALA A 1 5 ? 10.102 13.152 -4.974 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 2 -ATOM 1623 H HA . ALA A 1 5 ? 7.944 12.042 -3.348 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 2 -ATOM 1624 H HB1 . ALA A 1 5 ? 6.328 12.341 -5.174 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 2 -ATOM 1625 H HB2 . ALA A 1 5 ? 7.544 13.212 -6.107 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 2 -ATOM 1626 H HB3 . ALA A 1 5 ? 6.932 13.893 -4.597 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 2 -ATOM 1627 N N . TYR A 1 6 ? 7.841 9.995 -4.924 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 2 -ATOM 1628 C CA . TYR A 1 6 ? 8.077 8.704 -5.532 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 2 -ATOM 1629 C C . TYR A 1 6 ? 6.999 8.425 -6.558 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 2 -ATOM 1630 O O . TYR A 1 6 ? 6.035 9.205 -6.695 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 2 -ATOM 1631 C CB . TYR A 1 6 ? 8.037 7.587 -4.471 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 2 -ATOM 1632 C CG . TYR A 1 6 ? 9.170 7.559 -3.461 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 2 -ATOM 1633 C CD1 . TYR A 1 6 ? 9.398 8.614 -2.586 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 2 -ATOM 1634 C CD2 . TYR A 1 6 ? 9.999 6.451 -3.374 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 2 -ATOM 1635 C CE1 . TYR A 1 6 ? 10.418 8.563 -1.662 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 2 -ATOM 1636 C CE2 . TYR A 1 6 ? 11.013 6.390 -2.448 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 2 -ATOM 1637 C CZ . TYR A 1 6 ? 11.218 7.445 -1.595 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 2 -ATOM 1638 O OH . TYR A 1 6 ? 12.221 7.384 -0.662 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 2 -ATOM 1639 H H . TYR A 1 6 ? 7.009 10.129 -4.425 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 2 -ATOM 1640 H HA . TYR A 1 6 ? 9.048 8.706 -6.003 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 2 -ATOM 1641 H HB2 . TYR A 1 6 ? 7.121 7.681 -3.906 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 2 -ATOM 1642 H HB3 . TYR A 1 6 ? 8.026 6.636 -4.985 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 2 -ATOM 1643 H HD1 . TYR A 1 6 ? 8.767 9.489 -2.643 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 2 -ATOM 1644 H HD2 . TYR A 1 6 ? 9.839 5.622 -4.047 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 2 -ATOM 1645 H HE1 . TYR A 1 6 ? 10.581 9.392 -0.990 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 2 -ATOM 1646 H HE2 . TYR A 1 6 ? 11.647 5.519 -2.396 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 2 -ATOM 1647 H HH . TYR A 1 6 ? 12.972 6.876 -1.018 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 2 -ATOM 1648 N N . PHE A 1 7 ? 7.168 7.356 -7.287 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 2 -ATOM 1649 C CA . PHE A 1 7 ? 6.152 6.876 -8.193 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 2 -ATOM 1650 C C . PHE A 1 7 ? 5.248 5.944 -7.407 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 2 -ATOM 1651 O O . PHE A 1 7 ? 5.638 5.471 -6.347 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 2 -ATOM 1652 C CB . PHE A 1 7 ? 6.785 6.119 -9.373 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 2 -ATOM 1653 C CG . PHE A 1 7 ? 7.675 6.959 -10.247 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 2 -ATOM 1654 C CD1 . PHE A 1 7 ? 7.133 7.800 -11.203 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 2 -ATOM 1655 C CD2 . PHE A 1 7 ? 9.053 6.903 -10.115 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 2 -ATOM 1656 C CE1 . PHE A 1 7 ? 7.948 8.568 -12.010 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 2 -ATOM 1657 C CE2 . PHE A 1 7 ? 9.873 7.667 -10.918 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 2 -ATOM 1658 C CZ . PHE A 1 7 ? 9.320 8.500 -11.867 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 2 -ATOM 1659 H H . PHE A 1 7 ? 8.013 6.857 -7.208 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 2 -ATOM 1660 H HA . PHE A 1 7 ? 5.581 7.718 -8.556 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 2 -ATOM 1661 H HB2 . PHE A 1 7 ? 7.392 5.320 -8.975 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 2 -ATOM 1662 H HB3 . PHE A 1 7 ? 6.008 5.690 -9.987 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 2 -ATOM 1663 H HD1 . PHE A 1 7 ? 6.060 7.852 -11.313 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 2 -ATOM 1664 H HD2 . PHE A 1 7 ? 9.487 6.251 -9.371 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 2 -ATOM 1665 H HE1 . PHE A 1 7 ? 7.509 9.219 -12.751 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 2 -ATOM 1666 H HE2 . PHE A 1 7 ? 10.945 7.614 -10.804 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 2 -ATOM 1667 H HZ . PHE A 1 7 ? 9.961 9.098 -12.498 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 2 -ATOM 1668 N N . LEU A 1 8 ? 4.066 5.697 -7.886 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 2 -ATOM 1669 C CA . LEU A 1 8 ? 3.146 4.813 -7.193 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 2 -ATOM 1670 C C . LEU A 1 8 ? 2.690 3.735 -8.175 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 2 -ATOM 1671 O O . LEU A 1 8 ? 2.270 4.056 -9.301 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 2 -ATOM 1672 C CB . LEU A 1 8 ? 1.929 5.638 -6.676 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 2 -ATOM 1673 C CG . LEU A 1 8 ? 1.070 5.058 -5.511 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 2 -ATOM 1674 C CD1 . LEU A 1 8 ? 0.431 3.720 -5.837 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 2 -ATOM 1675 C CD2 . LEU A 1 8 ? 1.878 4.964 -4.237 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 2 -ATOM 1676 H H . LEU A 1 8 ? 3.787 6.102 -8.735 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 2 -ATOM 1677 H HA . LEU A 1 8 ? 3.658 4.359 -6.358 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 2 -ATOM 1678 H HB2 . LEU A 1 8 ? 2.300 6.601 -6.355 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 2 -ATOM 1679 H HB3 . LEU A 1 8 ? 1.276 5.803 -7.520 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 2 -ATOM 1680 H HG . LEU A 1 8 ? 0.258 5.747 -5.329 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 2 -ATOM 1681 H HD11 . LEU A 1 8 ? 1.203 3.026 -6.140 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 2 -ATOM 1682 H HD12 . LEU A 1 8 ? -0.299 3.832 -6.624 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 2 -ATOM 1683 H HD13 . LEU A 1 8 ? -0.048 3.337 -4.947 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 2 -ATOM 1684 H HD21 . LEU A 1 8 ? 2.741 4.338 -4.404 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 2 -ATOM 1685 H HD22 . LEU A 1 8 ? 1.269 4.524 -3.463 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 2 -ATOM 1686 H HD23 . LEU A 1 8 ? 2.194 5.949 -3.930 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 2 -ATOM 1687 N N . ASP A 1 9 ? 2.786 2.479 -7.793 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 2 -ATOM 1688 C CA . ASP A 1 9 ? 2.292 1.403 -8.646 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 2 -ATOM 1689 C C . ASP A 1 9 ? 1.664 0.323 -7.761 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 2 -ATOM 1690 O O . ASP A 1 9 ? 1.830 0.346 -6.536 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 2 -ATOM 1691 C CB . ASP A 1 9 ? 3.411 0.812 -9.532 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 2 -ATOM 1692 C CG . ASP A 1 9 ? 2.890 0.159 -10.818 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 2 -ATOM 1693 O OD1 . ASP A 1 9 ? 1.767 -0.375 -10.843 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 2 -ATOM 1694 O OD2 . ASP A 1 9 ? 3.571 0.240 -11.852 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 2 -ATOM 1695 H H . ASP A 1 9 ? 3.177 2.250 -6.917 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 2 -ATOM 1696 H HA . ASP A 1 9 ? 1.515 1.823 -9.268 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 2 -ATOM 1697 H HB2 . ASP A 1 9 ? 4.097 1.598 -9.808 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 2 -ATOM 1698 H HB3 . ASP A 1 9 ? 3.944 0.064 -8.965 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 2 -ATOM 1699 N N . PHE A 1 10 ? 0.976 -0.611 -8.365 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 2 -ATOM 1700 C CA . PHE A 1 10 ? 0.244 -1.634 -7.656 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 2 -ATOM 1701 C C . PHE A 1 10 ? 0.597 -3.009 -8.206 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 2 -ATOM 1702 O O . PHE A 1 10 ? 0.788 -3.176 -9.427 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 2 -ATOM 1703 C CB . PHE A 1 10 ? -1.277 -1.447 -7.837 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 2 -ATOM 1704 C CG . PHE A 1 10 ? -1.857 -0.131 -7.384 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 2 -ATOM 1705 C CD1 . PHE A 1 10 ? -1.907 0.956 -8.246 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 2 -ATOM 1706 C CD2 . PHE A 1 10 ? -2.376 0.010 -6.110 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 2 -ATOM 1707 C CE1 . PHE A 1 10 ? -2.456 2.156 -7.840 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 2 -ATOM 1708 C CE2 . PHE A 1 10 ? -2.930 1.208 -5.699 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 2 -ATOM 1709 C CZ . PHE A 1 10 ? -2.968 2.282 -6.566 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 2 -ATOM 1710 H H . PHE A 1 10 ? 1.007 -0.633 -9.350 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 2 -ATOM 1711 H HA . PHE A 1 10 ? 0.476 -1.579 -6.605 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 2 -ATOM 1712 H HB2 . PHE A 1 10 ? -1.511 -1.549 -8.886 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 2 -ATOM 1713 H HB3 . PHE A 1 10 ? -1.783 -2.237 -7.301 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 2 -ATOM 1714 H HD1 . PHE A 1 10 ? -1.505 0.858 -9.244 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 2 -ATOM 1715 H HD2 . PHE A 1 10 ? -2.344 -0.829 -5.431 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 2 -ATOM 1716 H HE1 . PHE A 1 10 ? -2.487 2.995 -8.520 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 2 -ATOM 1717 H HE2 . PHE A 1 10 ? -3.331 1.305 -4.701 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 2 -ATOM 1718 H HZ . PHE A 1 10 ? -3.400 3.219 -6.248 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 2 -ATOM 1719 N N . ASP A 1 11 ? 0.695 -3.968 -7.318 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 2 -ATOM 1720 C CA . ASP A 1 11 ? 0.857 -5.375 -7.670 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 2 -ATOM 1721 C C . ASP A 1 11 ? -0.480 -5.831 -8.236 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 2 -ATOM 1722 O O . ASP A 1 11 ? -1.518 -5.228 -7.912 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 2 -ATOM 1723 C CB . ASP A 1 11 ? 1.183 -6.198 -6.403 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 2 -ATOM 1724 C CG . ASP A 1 11 ? 1.618 -7.630 -6.686 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 2 -ATOM 1725 O OD1 . ASP A 1 11 ? 0.786 -8.455 -7.134 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 2 -ATOM 1726 O OD2 . ASP A 1 11 ? 2.809 -7.941 -6.471 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 2 -ATOM 1727 H H . ASP A 1 11 ? 0.677 -3.731 -6.363 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 2 -ATOM 1728 H HA . ASP A 1 11 ? 1.639 -5.483 -8.407 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 2 -ATOM 1729 H HB2 . ASP A 1 11 ? 1.983 -5.707 -5.869 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 2 -ATOM 1730 H HB3 . ASP A 1 11 ? 0.305 -6.223 -5.774 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 2 -ATOM 1731 N N . GLU A 1 12 ? -0.493 -6.852 -9.070 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 2 -ATOM 1732 C CA . GLU A 1 12 ? -1.744 -7.319 -9.649 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 2 -ATOM 1733 C C . GLU A 1 12 ? -2.705 -7.793 -8.550 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 2 -ATOM 1734 O O . GLU A 1 12 ? -3.927 -7.647 -8.680 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 2 -ATOM 1735 C CB . GLU A 1 12 ? -1.538 -8.448 -10.652 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 2 -ATOM 1736 C CG . GLU A 1 12 ? -0.951 -9.696 -10.043 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 2 -ATOM 1737 C CD . GLU A 1 12 ? -1.265 -10.907 -10.843 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 2 -ATOM 1738 O OE1 . GLU A 1 12 ? -2.412 -11.399 -10.741 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 2 -ATOM 1739 O OE2 . GLU A 1 12 ? -0.389 -11.402 -11.569 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 2 -ATOM 1740 H H . GLU A 1 12 ? 0.348 -7.319 -9.259 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 2 -ATOM 1741 H HA . GLU A 1 12 ? -2.196 -6.477 -10.151 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 2 -ATOM 1742 H HB2 . GLU A 1 12 ? -2.491 -8.702 -11.092 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 2 -ATOM 1743 H HB3 . GLU A 1 12 ? -0.874 -8.104 -11.432 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 2 -ATOM 1744 H HG2 . GLU A 1 12 ? 0.121 -9.580 -9.984 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 2 -ATOM 1745 H HG3 . GLU A 1 12 ? -1.357 -9.819 -9.050 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 2 -ATOM 1746 N N . ARG A 1 13 ? -2.139 -8.335 -7.454 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 2 -ATOM 1747 C CA . ARG A 1 13 ? -2.936 -8.809 -6.330 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 2 -ATOM 1748 C C . ARG A 1 13 ? -3.658 -7.630 -5.721 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 2 -ATOM 1749 O O . ARG A 1 13 ? -4.860 -7.687 -5.455 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 2 -ATOM 1750 C CB . ARG A 1 13 ? -2.051 -9.506 -5.275 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 2 -ATOM 1751 C CG . ARG A 1 13 ? -1.284 -10.700 -5.824 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 2 -ATOM 1752 C CD . ARG A 1 13 ? -0.405 -11.373 -4.774 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 2 -ATOM 1753 N NE . ARG A 1 13 ? 0.458 -12.407 -5.383 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 2 -ATOM 1754 C CZ . ARG A 1 13 ? 0.943 -13.505 -4.767 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 2 -ATOM 1755 N NH1 . ARG A 1 13 ? 0.550 -13.832 -3.534 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 2 -ATOM 1756 N NH2 . ARG A 1 13 ? 1.778 -14.313 -5.423 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 2 -ATOM 1757 H H . ARG A 1 13 ? -1.155 -8.412 -7.418 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 2 -ATOM 1758 H HA . ARG A 1 13 ? -3.666 -9.508 -6.709 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 2 -ATOM 1759 H HB2 . ARG A 1 13 ? -1.337 -8.790 -4.895 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 2 -ATOM 1760 H HB3 . ARG A 1 13 ? -2.675 -9.847 -4.461 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 2 -ATOM 1761 H HG2 . ARG A 1 13 ? -1.998 -11.427 -6.179 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 2 -ATOM 1762 H HG3 . ARG A 1 13 ? -0.670 -10.367 -6.646 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 2 -ATOM 1763 H HD2 . ARG A 1 13 ? 0.217 -10.624 -4.306 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 2 -ATOM 1764 H HD3 . ARG A 1 13 ? -1.034 -11.836 -4.029 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 2 -ATOM 1765 H HE . ARG A 1 13 ? 0.691 -12.203 -6.319 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 2 -ATOM 1766 H HH11 . ARG A 1 13 ? -0.128 -13.291 -3.010 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 2 -ATOM 1767 H HH12 . ARG A 1 13 ? 0.891 -14.634 -3.042 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 2 -ATOM 1768 H HH21 . ARG A 1 13 ? 2.051 -14.131 -6.373 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 2 -ATOM 1769 H HH22 . ARG A 1 13 ? 2.173 -15.133 -5.000 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 2 -ATOM 1770 N N . ALA A 1 14 ? -2.926 -6.532 -5.597 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 2 -ATOM 1771 C CA . ALA A 1 14 ? -3.449 -5.303 -5.056 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 2 -ATOM 1772 C C . ALA A 1 14 ? -4.496 -4.707 -5.980 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 2 -ATOM 1773 O O . ALA A 1 14 ? -5.477 -4.186 -5.516 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 2 -ATOM 1774 C CB . ALA A 1 14 ? -2.333 -4.303 -4.810 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 2 -ATOM 1775 H H . ALA A 1 14 ? -1.992 -6.558 -5.893 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 2 -ATOM 1776 H HA . ALA A 1 14 ? -3.913 -5.532 -4.108 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 2 -ATOM 1777 H HB1 . ALA A 1 14 ? -1.599 -4.735 -4.148 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 2 -ATOM 1778 H HB2 . ALA A 1 14 ? -2.742 -3.409 -4.362 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 2 -ATOM 1779 H HB3 . ALA A 1 14 ? -1.865 -4.051 -5.751 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 2 -ATOM 1780 N N . LEU A 1 15 ? -4.293 -4.831 -7.292 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 2 -ATOM 1781 C CA . LEU A 1 15 ? -5.225 -4.283 -8.272 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 2 -ATOM 1782 C C . LEU A 1 15 ? -6.573 -4.948 -8.178 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 2 -ATOM 1783 O O . LEU A 1 15 ? -7.602 -4.283 -8.216 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 2 -ATOM 1784 C CB . LEU A 1 15 ? -4.679 -4.412 -9.690 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 2 -ATOM 1785 C CG . LEU A 1 15 ? -3.566 -3.445 -10.090 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 2 -ATOM 1786 C CD1 . LEU A 1 15 ? -3.059 -3.787 -11.479 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 2 -ATOM 1787 C CD2 . LEU A 1 15 ? -4.082 -2.006 -10.065 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 2 -ATOM 1788 H H . LEU A 1 15 ? -3.499 -5.310 -7.615 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 2 -ATOM 1789 H HA . LEU A 1 15 ? -5.349 -3.236 -8.045 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 2 -ATOM 1790 H HB2 . LEU A 1 15 ? -4.307 -5.419 -9.809 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 2 -ATOM 1791 H HB3 . LEU A 1 15 ? -5.507 -4.279 -10.366 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 2 -ATOM 1792 H HG . LEU A 1 15 ? -2.747 -3.528 -9.390 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 2 -ATOM 1793 H HD11 . LEU A 1 15 ? -3.876 -3.723 -12.183 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 2 -ATOM 1794 H HD12 . LEU A 1 15 ? -2.655 -4.788 -11.484 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 2 -ATOM 1795 H HD13 . LEU A 1 15 ? -2.291 -3.082 -11.762 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 2 -ATOM 1796 H HD21 . LEU A 1 15 ? -3.294 -1.335 -10.369 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 2 -ATOM 1797 H HD22 . LEU A 1 15 ? -4.407 -1.745 -9.068 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 2 -ATOM 1798 H HD23 . LEU A 1 15 ? -4.915 -1.909 -10.745 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 2 -ATOM 1799 N N . LYS A 1 16 ? -6.558 -6.250 -8.036 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 2 -ATOM 1800 C CA . LYS A 1 16 ? -7.771 -7.031 -7.907 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 2 -ATOM 1801 C C . LYS A 1 16 ? -8.547 -6.606 -6.662 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 2 -ATOM 1802 O O . LYS A 1 16 ? -9.759 -6.394 -6.712 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 2 -ATOM 1803 C CB . LYS A 1 16 ? -7.404 -8.507 -7.845 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 2 -ATOM 1804 C CG . LYS A 1 16 ? -6.844 -9.049 -9.153 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 2 -ATOM 1805 C CD . LYS A 1 16 ? -6.184 -10.398 -8.952 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 2 -ATOM 1806 C CE . LYS A 1 16 ? -5.883 -11.096 -10.287 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 2 -ATOM 1807 N NZ . LYS A 1 16 ? -4.910 -10.375 -11.138 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 2 -ATOM 1808 H H . LYS A 1 16 ? -5.690 -6.709 -8.014 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 2 -ATOM 1809 H HA . LYS A 1 16 ? -8.380 -6.856 -8.782 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 2 -ATOM 1810 H HB2 . LYS A 1 16 ? -6.657 -8.641 -7.077 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 2 -ATOM 1811 H HB3 . LYS A 1 16 ? -8.282 -9.078 -7.585 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 2 -ATOM 1812 H HG2 . LYS A 1 16 ? -7.651 -9.153 -9.864 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 2 -ATOM 1813 H HG3 . LYS A 1 16 ? -6.112 -8.350 -9.530 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 2 -ATOM 1814 H HD2 . LYS A 1 16 ? -5.257 -10.199 -8.431 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 2 -ATOM 1815 H HD3 . LYS A 1 16 ? -6.820 -11.020 -8.339 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 2 -ATOM 1816 H HE2 . LYS A 1 16 ? -5.476 -12.074 -10.082 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 2 -ATOM 1817 H HE3 . LYS A 1 16 ? -6.810 -11.212 -10.828 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 2 -ATOM 1818 H HZ1 . LYS A 1 16 ? -4.960 -10.758 -12.104 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 2 -ATOM 1819 H HZ2 . LYS A 1 16 ? -3.932 -10.584 -10.832 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 2 -ATOM 1820 H HZ3 . LYS A 1 16 ? -5.083 -9.353 -11.177 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 2 -ATOM 1821 N N . GLU A 1 17 ? -7.827 -6.423 -5.575 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 2 -ATOM 1822 C CA . GLU A 1 17 ? -8.414 -5.993 -4.319 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 2 -ATOM 1823 C C . GLU A 1 17 ? -8.901 -4.530 -4.410 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 2 -ATOM 1824 O O . GLU A 1 17 ? -9.964 -4.187 -3.918 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 2 -ATOM 1825 C CB . GLU A 1 17 ? -7.384 -6.165 -3.204 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 2 -ATOM 1826 C CG . GLU A 1 17 ? -6.931 -7.609 -3.008 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 2 -ATOM 1827 C CD . GLU A 1 17 ? -8.020 -8.496 -2.460 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 2 -ATOM 1828 O OE1 . GLU A 1 17 ? -8.962 -8.840 -3.187 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 2 -ATOM 1829 O OE2 . GLU A 1 17 ? -7.987 -8.834 -1.263 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 2 -ATOM 1830 H H . GLU A 1 17 ? -6.859 -6.589 -5.604 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 2 -ATOM 1831 H HA . GLU A 1 17 ? -9.261 -6.632 -4.114 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 2 -ATOM 1832 H HB2 . GLU A 1 17 ? -6.516 -5.567 -3.440 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 2 -ATOM 1833 H HB3 . GLU A 1 17 ? -7.813 -5.815 -2.276 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 2 -ATOM 1834 H HG2 . GLU A 1 17 ? -6.642 -7.998 -3.974 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 2 -ATOM 1835 H HG3 . GLU A 1 17 ? -6.077 -7.641 -2.351 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 2 -ATOM 1836 N N . TRP A 1 18 ? -8.119 -3.709 -5.073 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 2 -ATOM 1837 C CA . TRP A 1 18 ? -8.393 -2.283 -5.279 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 2 -ATOM 1838 C C . TRP A 1 18 ? -9.681 -2.074 -6.090 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 2 -ATOM 1839 O O . TRP A 1 18 ? -10.498 -1.214 -5.767 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 2 -ATOM 1840 C CB . TRP A 1 18 ? -7.174 -1.669 -5.998 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 2 -ATOM 1841 C CG . TRP A 1 18 ? -7.245 -0.215 -6.344 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 2 -ATOM 1842 C CD1 . TRP A 1 18 ? -7.642 0.315 -7.531 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 2 -ATOM 1843 C CD2 . TRP A 1 18 ? -6.861 0.889 -5.517 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 2 -ATOM 1844 N NE1 . TRP A 1 18 ? -7.546 1.679 -7.495 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 2 -ATOM 1845 C CE2 . TRP A 1 18 ? -7.066 2.060 -6.270 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 2 -ATOM 1846 C CE3 . TRP A 1 18 ? -6.369 1.004 -4.212 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 2 -ATOM 1847 C CZ2 . TRP A 1 18 ? -6.794 3.330 -5.765 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 2 -ATOM 1848 C CZ3 . TRP A 1 18 ? -6.100 2.264 -3.713 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 2 -ATOM 1849 C CH2 . TRP A 1 18 ? -6.312 3.408 -4.487 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 2 -ATOM 1850 H H . TRP A 1 18 ? -7.276 -4.066 -5.436 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 2 -ATOM 1851 H HA . TRP A 1 18 ? -8.503 -1.808 -4.315 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 2 -ATOM 1852 H HB2 . TRP A 1 18 ? -6.303 -1.799 -5.375 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 2 -ATOM 1853 H HB3 . TRP A 1 18 ? -7.018 -2.221 -6.913 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 2 -ATOM 1854 H HD1 . TRP A 1 18 ? -7.986 -0.273 -8.370 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 2 -ATOM 1855 H HE1 . TRP A 1 18 ? -7.783 2.269 -8.246 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 2 -ATOM 1856 H HE3 . TRP A 1 18 ? -6.199 0.131 -3.600 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 2 -ATOM 1857 H HZ2 . TRP A 1 18 ? -6.954 4.224 -6.349 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 2 -ATOM 1858 H HZ3 . TRP A 1 18 ? -5.718 2.375 -2.709 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 2 -ATOM 1859 H HH2 . TRP A 1 18 ? -6.085 4.371 -4.054 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 2 -ATOM 1860 N N . ARG A 1 19 ? -9.849 -2.859 -7.143 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 2 -ATOM 1861 C CA . ARG A 1 19 ? -11.049 -2.770 -7.977 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 2 -ATOM 1862 C C . ARG A 1 19 ? -12.243 -3.414 -7.282 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 2 -ATOM 1863 O O . ARG A 1 19 ? -13.395 -3.164 -7.628 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 2 -ATOM 1864 C CB . ARG A 1 19 ? -10.817 -3.399 -9.341 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 2 -ATOM 1865 C CG . ARG A 1 19 ? -9.654 -2.781 -10.095 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 2 -ATOM 1866 C CD . ARG A 1 19 ? -9.485 -3.417 -11.448 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 2 -ATOM 1867 N NE . ARG A 1 19 ? -10.574 -3.053 -12.373 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 2 -ATOM 1868 C CZ . ARG A 1 19 ? -11.162 -3.887 -13.238 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 2 -ATOM 1869 N NH1 . ARG A 1 19 ? -10.936 -5.190 -13.167 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 2 -ATOM 1870 N NH2 . ARG A 1 19 ? -12.017 -3.406 -14.140 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 2 -ATOM 1871 H H . ARG A 1 19 ? -9.141 -3.504 -7.365 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 2 -ATOM 1872 H HA . ARG A 1 19 ? -11.266 -1.721 -8.106 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 2 -ATOM 1873 H HB2 . ARG A 1 19 ? -10.614 -4.451 -9.206 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 2 -ATOM 1874 H HB3 . ARG A 1 19 ? -11.708 -3.287 -9.939 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 2 -ATOM 1875 H HG2 . ARG A 1 19 ? -9.841 -1.726 -10.223 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 2 -ATOM 1876 H HG3 . ARG A 1 19 ? -8.751 -2.923 -9.519 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 2 -ATOM 1877 H HD2 . ARG A 1 19 ? -8.537 -3.109 -11.863 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 2 -ATOM 1878 H HD3 . ARG A 1 19 ? -9.490 -4.487 -11.301 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 2 -ATOM 1879 H HE . ARG A 1 19 ? -10.822 -2.099 -12.368 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 2 -ATOM 1880 H HH11 . ARG A 1 19 ? -10.333 -5.608 -12.481 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 2 -ATOM 1881 H HH12 . ARG A 1 19 ? -11.357 -5.859 -13.786 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 2 -ATOM 1882 H HH21 . ARG A 1 19 ? -12.227 -2.425 -14.169 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 2 -ATOM 1883 H HH22 . ARG A 1 19 ? -12.461 -3.984 -14.834 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 2 -ATOM 1884 N N . LYS A 1 20 ? -11.946 -4.276 -6.334 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 2 -ATOM 1885 C CA . LYS A 1 20 ? -12.956 -4.917 -5.502 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 2 -ATOM 1886 C C . LYS A 1 20 ? -13.491 -3.906 -4.480 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 2 -ATOM 1887 O O . LYS A 1 20 ? -14.671 -3.926 -4.118 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 2 -ATOM 1888 C CB . LYS A 1 20 ? -12.325 -6.102 -4.772 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 2 -ATOM 1889 C CG . LYS A 1 20 ? -13.274 -6.907 -3.906 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 2 -ATOM 1890 C CD . LYS A 1 20 ? -12.534 -7.976 -3.118 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 2 -ATOM 1891 C CE . LYS A 1 20 ? -11.647 -7.373 -2.032 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 2 -ATOM 1892 N NZ . LYS A 1 20 ? -10.881 -8.408 -1.319 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 2 -ATOM 1893 H H . LYS A 1 20 ? -11.002 -4.511 -6.214 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 2 -ATOM 1894 H HA . LYS A 1 20 ? -13.759 -5.267 -6.131 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 2 -ATOM 1895 H HB2 . LYS A 1 20 ? -11.893 -6.768 -5.505 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 2 -ATOM 1896 H HB3 . LYS A 1 20 ? -11.533 -5.717 -4.148 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 2 -ATOM 1897 H HG2 . LYS A 1 20 ? -13.771 -6.239 -3.218 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 2 -ATOM 1898 H HG3 . LYS A 1 20 ? -14.007 -7.379 -4.541 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 2 -ATOM 1899 H HD2 . LYS A 1 20 ? -13.249 -8.637 -2.654 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 2 -ATOM 1900 H HD3 . LYS A 1 20 ? -11.912 -8.532 -3.803 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 2 -ATOM 1901 H HE2 . LYS A 1 20 ? -10.950 -6.681 -2.480 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 2 -ATOM 1902 H HE3 . LYS A 1 20 ? -12.271 -6.846 -1.324 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 2 -ATOM 1903 H HZ1 . LYS A 1 20 ? -10.176 -8.829 -1.969 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 2 -ATOM 1904 H HZ2 . LYS A 1 20 ? -11.508 -9.163 -0.981 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 2 -ATOM 1905 H HZ3 . LYS A 1 20 ? -10.372 -8.007 -0.505 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 2 -ATOM 1906 N N . LEU A 1 21 ? -12.598 -3.050 -4.019 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 2 -ATOM 1907 C CA . LEU A 1 21 ? -12.904 -1.990 -3.062 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 2 -ATOM 1908 C C . LEU A 1 21 ? -13.895 -0.990 -3.609 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 2 -ATOM 1909 O O . LEU A 1 21 ? -14.033 -0.823 -4.832 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 2 -ATOM 1910 C CB . LEU A 1 21 ? -11.636 -1.230 -2.676 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 2 -ATOM 1911 C CG . LEU A 1 21 ? -11.061 -1.491 -1.292 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 2 -ATOM 1912 C CD1 . LEU A 1 21 ? -10.696 -2.949 -1.100 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 2 -ATOM 1913 C CD2 . LEU A 1 21 ? -9.862 -0.599 -1.064 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 2 -ATOM 1914 H H . LEU A 1 21 ? -11.675 -3.148 -4.337 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 2 -ATOM 1915 H HA . LEU A 1 21 ? -13.306 -2.439 -2.167 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 2 -ATOM 1916 H HB2 . LEU A 1 21 ? -10.873 -1.467 -3.402 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 2 -ATOM 1917 H HB3 . LEU A 1 21 ? -11.853 -0.175 -2.752 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 2 -ATOM 1918 H HG . LEU A 1 21 ? -11.804 -1.230 -0.555 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 2 -ATOM 1919 H HD11 . LEU A 1 21 ? -9.932 -3.231 -1.812 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 2 -ATOM 1920 H HD12 . LEU A 1 21 ? -11.577 -3.552 -1.263 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 2 -ATOM 1921 H HD13 . LEU A 1 21 ? -10.336 -3.102 -0.096 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 2 -ATOM 1922 H HD21 . LEU A 1 21 ? -10.188 0.431 -1.130 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 2 -ATOM 1923 H HD22 . LEU A 1 21 ? -9.115 -0.797 -1.819 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 2 -ATOM 1924 H HD23 . LEU A 1 21 ? -9.453 -0.782 -0.082 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 2 -ATOM 1925 N N . GLY A 1 22 ? -14.564 -0.315 -2.703 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 2 -ATOM 1926 C CA . GLY A 1 22 ? -15.476 0.721 -3.078 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 2 -ATOM 1927 C C . GLY A 1 22 ? -14.720 1.914 -3.610 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 2 -ATOM 1928 O O . GLY A 1 22 ? -13.582 2.168 -3.175 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 2 -ATOM 1929 H H . GLY A 1 22 ? -14.419 -0.521 -1.758 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 2 -ATOM 1930 H HA2 . GLY A 1 22 ? -16.139 0.345 -3.845 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 2 -ATOM 1931 H HA3 . GLY A 1 22 ? -16.051 1.025 -2.218 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 2 -ATOM 1932 N N . SER A 1 23 ? -15.338 2.646 -4.519 1.00 0.00 ? ? ? ? ? ? 20 SER A N 2 -ATOM 1933 C CA . SER A 1 23 ? -14.698 3.764 -5.189 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 2 -ATOM 1934 C C . SER A 1 23 ? -14.209 4.812 -4.199 1.00 0.00 ? ? ? ? ? ? 20 SER A C 2 -ATOM 1935 O O . SER A 1 23 ? -13.066 5.193 -4.230 1.00 0.00 ? ? ? ? ? ? 20 SER A O 2 -ATOM 1936 C CB . SER A 1 23 ? -15.644 4.397 -6.214 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 2 -ATOM 1937 O OG . SER A 1 23 ? -14.987 5.395 -6.991 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 2 -ATOM 1938 H H . SER A 1 23 ? -16.265 2.414 -4.739 1.00 0.00 ? ? ? ? ? ? 20 SER A H 2 -ATOM 1939 H HA . SER A 1 23 ? -13.842 3.371 -5.717 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 2 -ATOM 1940 H HB2 . SER A 1 23 ? -16.019 3.635 -6.879 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 2 -ATOM 1941 H HB3 . SER A 1 23 ? -16.473 4.853 -5.691 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 2 -ATOM 1942 H HG . SER A 1 23 ? -14.675 6.127 -6.431 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 2 -ATOM 1943 N N . THR A 1 24 ? -15.045 5.208 -3.297 1.00 0.00 ? ? ? ? ? ? 21 THR A N 2 -ATOM 1944 C CA . THR A 1 24 ? -14.707 6.245 -2.360 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 2 -ATOM 1945 C C . THR A 1 24 ? -13.630 5.743 -1.394 1.00 0.00 ? ? ? ? ? ? 21 THR A C 2 -ATOM 1946 O O . THR A 1 24 ? -12.677 6.454 -1.100 1.00 0.00 ? ? ? ? ? ? 21 THR A O 2 -ATOM 1947 C CB . THR A 1 24 ? -15.962 6.695 -1.601 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 2 -ATOM 1948 O OG1 . THR A 1 24 ? -17.009 6.931 -2.562 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 2 -ATOM 1949 C CG2 . THR A 1 24 ? -15.707 7.991 -0.846 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 2 -ATOM 1950 H H . THR A 1 24 ? -15.919 4.777 -3.225 1.00 0.00 ? ? ? ? ? ? 21 THR A H 2 -ATOM 1951 H HA . THR A 1 24 ? -14.314 7.081 -2.919 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 2 -ATOM 1952 H HB . THR A 1 24 ? -16.259 5.924 -0.906 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 2 -ATOM 1953 H HG1 . THR A 1 24 ? -17.384 7.791 -2.335 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 2 -ATOM 1954 H HG21 . THR A 1 24 ? -16.604 8.287 -0.323 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 2 -ATOM 1955 H HG22 . THR A 1 24 ? -15.427 8.766 -1.545 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 2 -ATOM 1956 H HG23 . THR A 1 24 ? -14.908 7.842 -0.135 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 2 -ATOM 1957 N N . VAL A 1 25 ? -13.740 4.474 -1.002 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 2 -ATOM 1958 C CA . VAL A 1 25 ? -12.785 3.859 -0.098 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 2 -ATOM 1959 C C . VAL A 1 25 ? -11.392 3.860 -0.720 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 2 -ATOM 1960 O O . VAL A 1 25 ? -10.412 4.273 -0.087 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 2 -ATOM 1961 C CB . VAL A 1 25 ? -13.214 2.414 0.258 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 2 -ATOM 1962 C CG1 . VAL A 1 25 ? -12.163 1.724 1.098 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 2 -ATOM 1963 C CG2 . VAL A 1 25 ? -14.534 2.431 0.998 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 2 -ATOM 1964 H H . VAL A 1 25 ? -14.484 3.932 -1.342 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 2 -ATOM 1965 H HA . VAL A 1 25 ? -12.761 4.449 0.808 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 2 -ATOM 1966 H HB . VAL A 1 25 ? -13.350 1.859 -0.658 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 2 -ATOM 1967 H HG11 . VAL A 1 25 ? -12.021 2.272 2.018 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 2 -ATOM 1968 H HG12 . VAL A 1 25 ? -11.231 1.692 0.555 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 2 -ATOM 1969 H HG13 . VAL A 1 25 ? -12.482 0.718 1.326 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 2 -ATOM 1970 H HG21 . VAL A 1 25 ? -14.425 3.007 1.905 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 2 -ATOM 1971 H HG22 . VAL A 1 25 ? -14.824 1.422 1.250 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 2 -ATOM 1972 H HG23 . VAL A 1 25 ? -15.290 2.885 0.376 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 2 -ATOM 1973 N N . ARG A 1 26 ? -11.314 3.450 -1.972 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 2 -ATOM 1974 C CA . ARG A 1 26 ? -10.052 3.456 -2.669 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 2 -ATOM 1975 C C . ARG A 1 26 ? -9.574 4.898 -2.895 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 2 -ATOM 1976 O O . ARG A 1 26 ? -8.389 5.170 -2.845 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 2 -ATOM 1977 C CB . ARG A 1 26 ? -10.089 2.669 -3.990 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 2 -ATOM 1978 C CG . ARG A 1 26 ? -11.070 3.196 -5.009 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 2 -ATOM 1979 C CD . ARG A 1 26 ? -10.738 2.737 -6.399 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 2 -ATOM 1980 N NE . ARG A 1 26 ? -11.555 3.423 -7.410 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 2 -ATOM 1981 C CZ . ARG A 1 26 ? -11.839 2.937 -8.622 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 2 -ATOM 1982 N NH1 . ARG A 1 26 ? -11.417 1.728 -8.969 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 2 -ATOM 1983 N NH2 . ARG A 1 26 ? -12.546 3.659 -9.474 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 2 -ATOM 1984 H H . ARG A 1 26 ? -12.133 3.132 -2.417 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 2 -ATOM 1985 H HA . ARG A 1 26 ? -9.343 2.992 -2.001 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 2 -ATOM 1986 H HB2 . ARG A 1 26 ? -9.103 2.680 -4.431 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 2 -ATOM 1987 H HB3 . ARG A 1 26 ? -10.358 1.647 -3.761 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 2 -ATOM 1988 H HG2 . ARG A 1 26 ? -12.027 2.770 -4.745 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 2 -ATOM 1989 H HG3 . ARG A 1 26 ? -11.165 4.271 -4.964 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 2 -ATOM 1990 H HD2 . ARG A 1 26 ? -9.696 2.961 -6.577 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 2 -ATOM 1991 H HD3 . ARG A 1 26 ? -10.900 1.673 -6.469 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 2 -ATOM 1992 H HE . ARG A 1 26 ? -11.887 4.316 -7.160 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 2 -ATOM 1993 H HH11 . ARG A 1 26 ? -10.890 1.155 -8.341 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 2 -ATOM 1994 H HH12 . ARG A 1 26 ? -11.619 1.334 -9.872 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 2 -ATOM 1995 H HH21 . ARG A 1 26 ? -12.878 4.577 -9.237 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 2 -ATOM 1996 H HH22 . ARG A 1 26 ? -12.799 3.328 -10.387 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 2 -ATOM 1997 N N . GLU A 1 27 ? -10.507 5.814 -3.137 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 2 -ATOM 1998 C CA . GLU A 1 27 ? -10.173 7.214 -3.340 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 2 -ATOM 1999 C C . GLU A 1 27 ? -9.545 7.851 -2.097 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 2 -ATOM 2000 O O . GLU A 1 27 ? -8.597 8.622 -2.228 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 2 -ATOM 2001 C CB . GLU A 1 27 ? -11.360 8.016 -3.876 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 2 -ATOM 2002 C CG . GLU A 1 27 ? -11.748 7.610 -5.295 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 2 -ATOM 2003 C CD . GLU A 1 27 ? -12.939 8.358 -5.837 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 2 -ATOM 2004 O OE1 . GLU A 1 27 ? -12.761 9.513 -6.301 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 2 -ATOM 2005 O OE2 . GLU A 1 27 ? -14.072 7.825 -5.820 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 2 -ATOM 2006 H H . GLU A 1 27 ? -11.451 5.543 -3.189 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 2 -ATOM 2007 H HA . GLU A 1 27 ? -9.399 7.209 -4.095 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 2 -ATOM 2008 H HB2 . GLU A 1 27 ? -12.209 7.862 -3.225 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 2 -ATOM 2009 H HB3 . GLU A 1 27 ? -11.102 9.065 -3.880 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 2 -ATOM 2010 H HG2 . GLU A 1 27 ? -10.906 7.789 -5.947 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 2 -ATOM 2011 H HG3 . GLU A 1 27 ? -11.973 6.553 -5.294 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 2 -ATOM 2012 N N . GLN A 1 28 ? -10.040 7.520 -0.896 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 2 -ATOM 2013 C CA . GLN A 1 28 ? -9.387 8.002 0.338 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 2 -ATOM 2014 C C . GLN A 1 28 ? -7.986 7.434 0.451 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 2 -ATOM 2015 O O . GLN A 1 28 ? -7.046 8.145 0.814 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 2 -ATOM 2016 C CB . GLN A 1 28 ? -10.162 7.692 1.630 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 2 -ATOM 2017 C CG . GLN A 1 28 ? -11.282 8.664 2.003 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 2 -ATOM 2018 C CD . GLN A 1 28 ? -12.477 8.612 1.096 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 2 -ATOM 2019 O OE1 . GLN A 1 28 ? -13.396 7.844 1.330 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 2 -ATOM 2020 N NE2 . GLN A 1 28 ? -12.508 9.457 0.105 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 2 -ATOM 2021 H H . GLN A 1 28 ? -10.854 6.966 -0.845 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 2 -ATOM 2022 H HA . GLN A 1 28 ? -9.291 9.072 0.229 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 2 -ATOM 2023 H HB2 . GLN A 1 28 ? -10.606 6.712 1.532 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 2 -ATOM 2024 H HB3 . GLN A 1 28 ? -9.456 7.663 2.447 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 2 -ATOM 2025 H HG2 . GLN A 1 28 ? -11.616 8.440 3.004 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 2 -ATOM 2026 H HG3 . GLN A 1 28 ? -10.878 9.666 1.989 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 2 -ATOM 2027 H HE21 . GLN A 1 28 ? -11.764 10.084 0.012 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 2 -ATOM 2028 H HE22 . GLN A 1 28 ? -13.272 9.440 -0.506 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 2 -ATOM 2029 N N . LEU A 1 29 ? -7.845 6.162 0.114 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 2 -ATOM 2030 C CA . LEU A 1 29 ? -6.550 5.501 0.132 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 2 -ATOM 2031 C C . LEU A 1 29 ? -5.603 6.160 -0.862 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 2 -ATOM 2032 O O . LEU A 1 29 ? -4.441 6.390 -0.560 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 2 -ATOM 2033 C CB . LEU A 1 29 ? -6.693 4.009 -0.160 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 2 -ATOM 2034 C CG . LEU A 1 29 ? -7.466 3.186 0.883 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 2 -ATOM 2035 C CD1 . LEU A 1 29 ? -7.572 1.750 0.446 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 2 -ATOM 2036 C CD2 . LEU A 1 29 ? -6.796 3.270 2.249 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 2 -ATOM 2037 H H . LEU A 1 29 ? -8.645 5.652 -0.141 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 2 -ATOM 2038 H HA . LEU A 1 29 ? -6.137 5.630 1.122 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 2 -ATOM 2039 H HB2 . LEU A 1 29 ? -7.197 3.914 -1.110 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 2 -ATOM 2040 H HB3 . LEU A 1 29 ? -5.703 3.592 -0.260 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 2 -ATOM 2041 H HG . LEU A 1 29 ? -8.474 3.563 0.973 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 2 -ATOM 2042 H HD11 . LEU A 1 29 ? -8.096 1.692 -0.496 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 2 -ATOM 2043 H HD12 . LEU A 1 29 ? -8.110 1.184 1.191 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 2 -ATOM 2044 H HD13 . LEU A 1 29 ? -6.582 1.335 0.328 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 2 -ATOM 2045 H HD21 . LEU A 1 29 ? -7.337 2.655 2.953 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 2 -ATOM 2046 H HD22 . LEU A 1 29 ? -6.807 4.294 2.594 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 2 -ATOM 2047 H HD23 . LEU A 1 29 ? -5.776 2.924 2.174 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 2 -ATOM 2048 N N . LYS A 1 30 ? -6.127 6.483 -2.037 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 2 -ATOM 2049 C CA . LYS A 1 30 ? -5.381 7.199 -3.064 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 2 -ATOM 2050 C C . LYS A 1 30 ? -4.900 8.556 -2.536 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 2 -ATOM 2051 O O . LYS A 1 30 ? -3.764 8.970 -2.791 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 2 -ATOM 2052 C CB . LYS A 1 30 ? -6.250 7.423 -4.292 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 2 -ATOM 2053 C CG . LYS A 1 30 ? -5.527 8.143 -5.418 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 2 -ATOM 2054 C CD . LYS A 1 30 ? -6.472 8.554 -6.524 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 2 -ATOM 2055 C CE . LYS A 1 30 ? -7.416 9.661 -6.065 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 2 -ATOM 2056 N NZ . LYS A 1 30 ? -8.356 10.054 -7.127 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 2 -ATOM 2057 H H . LYS A 1 30 ? -7.045 6.180 -2.225 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 2 -ATOM 2058 H HA . LYS A 1 30 ? -4.525 6.606 -3.343 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 2 -ATOM 2059 H HB2 . LYS A 1 30 ? -6.591 6.466 -4.656 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 2 -ATOM 2060 H HB3 . LYS A 1 30 ? -7.104 8.011 -3.993 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 2 -ATOM 2061 H HG2 . LYS A 1 30 ? -5.082 9.031 -4.995 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 2 -ATOM 2062 H HG3 . LYS A 1 30 ? -4.757 7.500 -5.815 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 2 -ATOM 2063 H HD2 . LYS A 1 30 ? -5.895 8.905 -7.366 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 2 -ATOM 2064 H HD3 . LYS A 1 30 ? -7.054 7.693 -6.819 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 2 -ATOM 2065 H HE2 . LYS A 1 30 ? -7.978 9.333 -5.204 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 2 -ATOM 2066 H HE3 . LYS A 1 30 ? -6.813 10.517 -5.794 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 2 -ATOM 2067 H HZ1 . LYS A 1 30 ? -8.910 9.247 -7.473 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 2 -ATOM 2068 H HZ2 . LYS A 1 30 ? -7.845 10.473 -7.930 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 2 -ATOM 2069 H HZ3 . LYS A 1 30 ? -9.018 10.776 -6.777 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 2 -ATOM 2070 N N . LYS A 1 31 ? -5.775 9.243 -1.813 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 2 -ATOM 2071 C CA . LYS A 1 31 ? -5.429 10.519 -1.193 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 2 -ATOM 2072 C C . LYS A 1 31 ? -4.270 10.350 -0.232 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 2 -ATOM 2073 O O . LYS A 1 31 ? -3.395 11.213 -0.137 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 2 -ATOM 2074 C CB . LYS A 1 31 ? -6.633 11.152 -0.500 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 2 -ATOM 2075 C CG . LYS A 1 31 ? -7.723 11.550 -1.467 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 2 -ATOM 2076 C CD . LYS A 1 31 ? -8.914 12.162 -0.765 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 2 -ATOM 2077 C CE . LYS A 1 31 ? -9.947 12.589 -1.782 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 2 -ATOM 2078 N NZ . LYS A 1 31 ? -11.126 13.241 -1.174 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 2 -ATOM 2079 H H . LYS A 1 31 ? -6.680 8.875 -1.714 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 2 -ATOM 2080 H HA . LYS A 1 31 ? -5.110 11.167 -1.997 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 2 -ATOM 2081 H HB2 . LYS A 1 31 ? -7.046 10.447 0.208 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 2 -ATOM 2082 H HB3 . LYS A 1 31 ? -6.309 12.036 0.029 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 2 -ATOM 2083 H HG2 . LYS A 1 31 ? -7.323 12.273 -2.162 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 2 -ATOM 2084 H HG3 . LYS A 1 31 ? -8.045 10.673 -2.009 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 2 -ATOM 2085 H HD2 . LYS A 1 31 ? -9.348 11.432 -0.097 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 2 -ATOM 2086 H HD3 . LYS A 1 31 ? -8.586 13.025 -0.206 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 2 -ATOM 2087 H HE2 . LYS A 1 31 ? -9.475 13.270 -2.475 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 2 -ATOM 2088 H HE3 . LYS A 1 31 ? -10.256 11.699 -2.309 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 2 -ATOM 2089 H HZ1 . LYS A 1 31 ? -10.858 14.062 -0.594 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 2 -ATOM 2090 H HZ2 . LYS A 1 31 ? -11.683 12.591 -0.585 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 2 -ATOM 2091 H HZ3 . LYS A 1 31 ? -11.756 13.587 -1.926 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 2 -ATOM 2092 N N . LYS A 1 32 ? -4.254 9.232 0.458 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 2 -ATOM 2093 C CA . LYS A 1 32 ? -3.137 8.905 1.321 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 2 -ATOM 2094 C C . LYS A 1 32 ? -1.881 8.600 0.542 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 2 -ATOM 2095 O O . LYS A 1 32 ? -0.800 8.981 0.950 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 2 -ATOM 2096 C CB . LYS A 1 32 ? -3.439 7.793 2.311 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 2 -ATOM 2097 C CG . LYS A 1 32 ? -4.046 8.267 3.618 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 2 -ATOM 2098 C CD . LYS A 1 32 ? -5.393 8.911 3.446 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 2 -ATOM 2099 C CE . LYS A 1 32 ? -5.863 9.478 4.754 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 2 -ATOM 2100 N NZ . LYS A 1 32 ? -4.984 10.586 5.219 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 2 -ATOM 2101 H H . LYS A 1 32 ? -5.031 8.637 0.379 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 2 -ATOM 2102 H HA . LYS A 1 32 ? -2.936 9.801 1.884 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 2 -ATOM 2103 H HB2 . LYS A 1 32 ? -4.111 7.081 1.858 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 2 -ATOM 2104 H HB3 . LYS A 1 32 ? -2.505 7.304 2.542 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 2 -ATOM 2105 H HG2 . LYS A 1 32 ? -4.161 7.419 4.276 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 2 -ATOM 2106 H HG3 . LYS A 1 32 ? -3.372 8.977 4.074 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 2 -ATOM 2107 H HD2 . LYS A 1 32 ? -5.316 9.706 2.720 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 2 -ATOM 2108 H HD3 . LYS A 1 32 ? -6.101 8.171 3.103 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 2 -ATOM 2109 H HE2 . LYS A 1 32 ? -6.883 9.818 4.657 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 2 -ATOM 2110 H HE3 . LYS A 1 32 ? -5.804 8.665 5.465 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 2 -ATOM 2111 H HZ1 . LYS A 1 32 ? -4.830 11.293 4.468 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 2 -ATOM 2112 H HZ2 . LYS A 1 32 ? -4.057 10.244 5.538 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 2 -ATOM 2113 H HZ3 . LYS A 1 32 ? -5.430 11.072 6.024 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 2 -ATOM 2114 N N . LEU A 1 33 ? -2.028 7.935 -0.578 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 2 -ATOM 2115 C CA . LEU A 1 33 ? -0.898 7.605 -1.434 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 2 -ATOM 2116 C C . LEU A 1 33 ? -0.232 8.872 -1.953 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 2 -ATOM 2117 O O . LEU A 1 33 ? 0.989 9.034 -1.856 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 2 -ATOM 2118 C CB . LEU A 1 33 ? -1.357 6.749 -2.624 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 2 -ATOM 2119 C CG . LEU A 1 33 ? -2.041 5.427 -2.282 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 2 -ATOM 2120 C CD1 . LEU A 1 33 ? -2.475 4.700 -3.540 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 2 -ATOM 2121 C CD2 . LEU A 1 33 ? -1.124 4.556 -1.449 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 2 -ATOM 2122 H H . LEU A 1 33 ? -2.926 7.629 -0.830 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 2 -ATOM 2123 H HA . LEU A 1 33 ? -0.186 7.039 -0.853 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 2 -ATOM 2124 H HB2 . LEU A 1 33 ? -2.047 7.337 -3.211 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 2 -ATOM 2125 H HB3 . LEU A 1 33 ? -0.493 6.532 -3.233 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 2 -ATOM 2126 H HG . LEU A 1 33 ? -2.927 5.634 -1.700 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 2 -ATOM 2127 H HD11 . LEU A 1 33 ? -3.155 5.321 -4.103 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 2 -ATOM 2128 H HD12 . LEU A 1 33 ? -2.971 3.778 -3.272 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 2 -ATOM 2129 H HD13 . LEU A 1 33 ? -1.607 4.483 -4.144 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 2 -ATOM 2130 H HD21 . LEU A 1 33 ? -1.612 3.617 -1.237 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 2 -ATOM 2131 H HD22 . LEU A 1 33 ? -0.922 5.072 -0.521 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 2 -ATOM 2132 H HD23 . LEU A 1 33 ? -0.198 4.381 -1.975 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 2 -ATOM 2133 N N . VAL A 1 34 ? -1.045 9.790 -2.446 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 2 -ATOM 2134 C CA . VAL A 1 34 ? -0.538 11.012 -3.023 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 2 -ATOM 2135 C C . VAL A 1 34 ? 0.161 11.889 -1.958 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 2 -ATOM 2136 O O . VAL A 1 34 ? 1.228 12.450 -2.227 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 2 -ATOM 2137 C CB . VAL A 1 34 ? -1.644 11.792 -3.833 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 2 -ATOM 2138 C CG1 . VAL A 1 34 ? -2.731 12.372 -2.955 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 2 -ATOM 2139 C CG2 . VAL A 1 34 ? -1.051 12.855 -4.739 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 2 -ATOM 2140 H H . VAL A 1 34 ? -2.014 9.614 -2.422 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 2 -ATOM 2141 H HA . VAL A 1 34 ? 0.236 10.703 -3.713 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 2 -ATOM 2142 H HB . VAL A 1 34 ? -2.128 11.058 -4.463 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 2 -ATOM 2143 H HG11 . VAL A 1 34 ? -3.188 11.577 -2.387 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 2 -ATOM 2144 H HG12 . VAL A 1 34 ? -3.476 12.854 -3.571 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 2 -ATOM 2145 H HG13 . VAL A 1 34 ? -2.300 13.095 -2.279 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 2 -ATOM 2146 H HG21 . VAL A 1 34 ? -1.863 13.329 -5.272 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 2 -ATOM 2147 H HG22 . VAL A 1 34 ? -0.377 12.393 -5.446 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 2 -ATOM 2148 H HG23 . VAL A 1 34 ? -0.528 13.589 -4.146 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 2 -ATOM 2149 N N . GLU A 1 35 ? -0.420 11.978 -0.750 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 2 -ATOM 2150 C CA . GLU A 1 35 ? 0.196 12.744 0.339 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 2 -ATOM 2151 C C . GLU A 1 35 ? 1.476 12.063 0.862 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 2 -ATOM 2152 O O . GLU A 1 35 ? 2.506 12.710 1.032 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 2 -ATOM 2153 C CB . GLU A 1 35 ? -0.797 13.036 1.505 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 2 -ATOM 2154 C CG . GLU A 1 35 ? -1.320 11.799 2.216 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 2 -ATOM 2155 C CD . GLU A 1 35 ? -2.277 12.080 3.359 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 2 -ATOM 2156 O OE1 . GLU A 1 35 ? -1.823 12.353 4.471 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 2 -ATOM 2157 O OE2 . GLU A 1 35 ? -3.515 11.996 3.173 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 2 -ATOM 2158 H H . GLU A 1 35 ? -1.278 11.524 -0.597 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 2 -ATOM 2159 H HA . GLU A 1 35 ? 0.495 13.684 -0.103 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 2 -ATOM 2160 H HB2 . GLU A 1 35 ? -0.304 13.659 2.236 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 2 -ATOM 2161 H HB3 . GLU A 1 35 ? -1.640 13.579 1.105 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 2 -ATOM 2162 H HG2 . GLU A 1 35 ? -1.826 11.216 1.464 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 2 -ATOM 2163 H HG3 . GLU A 1 35 ? -0.475 11.236 2.587 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 2 -ATOM 2164 N N . VAL A 1 36 ? 1.414 10.744 1.046 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 2 -ATOM 2165 C CA . VAL A 1 36 ? 2.489 9.975 1.665 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 2 -ATOM 2166 C C . VAL A 1 36 ? 3.786 10.027 0.858 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 2 -ATOM 2167 O O . VAL A 1 36 ? 4.850 9.965 1.420 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 2 -ATOM 2168 C CB . VAL A 1 36 ? 2.090 8.505 2.018 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 2 -ATOM 2169 C CG1 . VAL A 1 36 ? 2.104 7.571 0.811 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 2 -ATOM 2170 C CG2 . VAL A 1 36 ? 2.939 7.972 3.155 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 2 -ATOM 2171 H H . VAL A 1 36 ? 0.606 10.254 0.771 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 2 -ATOM 2172 H HA . VAL A 1 36 ? 2.699 10.495 2.589 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 2 -ATOM 2173 H HB . VAL A 1 36 ? 1.067 8.541 2.362 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 2 -ATOM 2174 H HG11 . VAL A 1 36 ? 1.790 6.582 1.108 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 2 -ATOM 2175 H HG12 . VAL A 1 36 ? 3.107 7.524 0.412 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 2 -ATOM 2176 H HG13 . VAL A 1 36 ? 1.436 7.956 0.056 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 2 -ATOM 2177 H HG21 . VAL A 1 36 ? 2.780 8.570 4.040 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 2 -ATOM 2178 H HG22 . VAL A 1 36 ? 3.976 8.035 2.862 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 2 -ATOM 2179 H HG23 . VAL A 1 36 ? 2.680 6.943 3.354 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 2 -ATOM 2180 N N . LEU A 1 37 ? 3.670 10.174 -0.460 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 2 -ATOM 2181 C CA . LEU A 1 37 ? 4.823 10.203 -1.376 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 2 -ATOM 2182 C C . LEU A 1 37 ? 5.903 11.238 -0.981 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 2 -ATOM 2183 O O . LEU A 1 37 ? 7.062 11.071 -1.360 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 2 -ATOM 2184 C CB . LEU A 1 37 ? 4.361 10.488 -2.815 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 2 -ATOM 2185 C CG . LEU A 1 37 ? 3.494 9.421 -3.486 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 2 -ATOM 2186 C CD1 . LEU A 1 37 ? 3.026 9.898 -4.846 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 2 -ATOM 2187 C CD2 . LEU A 1 37 ? 4.259 8.117 -3.629 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 2 -ATOM 2188 H H . LEU A 1 37 ? 2.763 10.218 -0.834 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 2 -ATOM 2189 H HA . LEU A 1 37 ? 5.273 9.224 -1.359 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 2 -ATOM 2190 H HB2 . LEU A 1 37 ? 3.801 11.411 -2.806 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 2 -ATOM 2191 H HB3 . LEU A 1 37 ? 5.240 10.637 -3.426 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 2 -ATOM 2192 H HG . LEU A 1 37 ? 2.620 9.238 -2.878 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 2 -ATOM 2193 H HD11 . LEU A 1 37 ? 3.887 10.098 -5.468 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 2 -ATOM 2194 H HD12 . LEU A 1 37 ? 2.447 10.803 -4.734 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 2 -ATOM 2195 H HD13 . LEU A 1 37 ? 2.420 9.133 -5.308 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 2 -ATOM 2196 H HD21 . LEU A 1 37 ? 3.639 7.389 -4.130 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 2 -ATOM 2197 H HD22 . LEU A 1 37 ? 4.532 7.743 -2.653 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 2 -ATOM 2198 H HD23 . LEU A 1 37 ? 5.148 8.292 -4.217 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 2 -ATOM 2199 N N . GLU A 1 38 ? 5.524 12.303 -0.254 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 2 -ATOM 2200 C CA . GLU A 1 38 ? 6.500 13.314 0.174 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 2 -ATOM 2201 C C . GLU A 1 38 ? 7.469 12.734 1.227 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 2 -ATOM 2202 O O . GLU A 1 38 ? 8.610 13.178 1.342 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 2 -ATOM 2203 C CB . GLU A 1 38 ? 5.806 14.592 0.707 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 2 -ATOM 2204 C CG . GLU A 1 38 ? 4.986 14.399 1.978 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 2 -ATOM 2205 C CD . GLU A 1 38 ? 4.232 15.645 2.391 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 2 -ATOM 2206 O OE1 . GLU A 1 38 ? 4.834 16.566 2.972 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 2 -ATOM 2207 O OE2 . GLU A 1 38 ? 3.009 15.720 2.149 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 2 -ATOM 2208 H H . GLU A 1 38 ? 4.584 12.409 0.013 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 2 -ATOM 2209 H HA . GLU A 1 38 ? 7.084 13.567 -0.698 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 2 -ATOM 2210 H HB2 . GLU A 1 38 ? 6.566 15.331 0.917 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 2 -ATOM 2211 H HB3 . GLU A 1 38 ? 5.155 14.980 -0.062 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 2 -ATOM 2212 H HG2 . GLU A 1 38 ? 4.270 13.609 1.811 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 2 -ATOM 2213 H HG3 . GLU A 1 38 ? 5.650 14.114 2.781 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 2 -ATOM 2214 N N . SER A 1 39 ? 7.006 11.732 1.967 1.00 0.00 ? ? ? ? ? ? 36 SER A N 2 -ATOM 2215 C CA . SER A 1 39 ? 7.796 11.066 2.980 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 2 -ATOM 2216 C C . SER A 1 39 ? 7.153 9.724 3.328 1.00 0.00 ? ? ? ? ? ? 36 SER A C 2 -ATOM 2217 O O . SER A 1 39 ? 6.399 9.625 4.272 1.00 0.00 ? ? ? ? ? ? 36 SER A O 2 -ATOM 2218 C CB . SER A 1 39 ? 7.965 11.948 4.243 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 2 -ATOM 2219 O OG . SER A 1 39 ? 8.823 11.337 5.217 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 2 -ATOM 2220 H H . SER A 1 39 ? 6.099 11.388 1.815 1.00 0.00 ? ? ? ? ? ? 36 SER A H 2 -ATOM 2221 H HA . SER A 1 39 ? 8.765 10.843 2.570 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 2 -ATOM 2222 H HB2 . SER A 1 39 ? 8.392 12.899 3.956 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 2 -ATOM 2223 H HB3 . SER A 1 39 ? 6.994 12.114 4.689 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 2 -ATOM 2224 H HG . SER A 1 39 ? 9.516 11.982 5.401 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 2 -ATOM 2225 N N . PRO A 1 40 ? 7.368 8.680 2.508 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 2 -ATOM 2226 C CA . PRO A 1 40 ? 6.805 7.354 2.771 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 2 -ATOM 2227 C C . PRO A 1 40 ? 7.644 6.543 3.761 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 2 -ATOM 2228 O O . PRO A 1 40 ? 7.352 5.393 4.038 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 2 -ATOM 2229 C CB . PRO A 1 40 ? 6.803 6.704 1.392 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 2 -ATOM 2230 C CG . PRO A 1 40 ? 7.974 7.309 0.702 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 2 -ATOM 2231 C CD . PRO A 1 40 ? 8.078 8.726 1.211 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 2 -ATOM 2232 H HA . PRO A 1 40 ? 5.796 7.417 3.148 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 2 -ATOM 2233 H HB2 . PRO A 1 40 ? 6.902 5.634 1.497 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 2 -ATOM 2234 H HB3 . PRO A 1 40 ? 5.881 6.938 0.880 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 2 -ATOM 2235 H HG2 . PRO A 1 40 ? 8.870 6.756 0.947 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 2 -ATOM 2236 H HG3 . PRO A 1 40 ? 7.815 7.305 -0.366 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 2 -ATOM 2237 H HD2 . PRO A 1 40 ? 9.108 9.024 1.337 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 2 -ATOM 2238 H HD3 . PRO A 1 40 ? 7.559 9.390 0.532 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 2 -ATOM 2239 N N . ARG A 1 41 ? 8.659 7.165 4.319 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 2 -ATOM 2240 C CA . ARG A 1 41 ? 9.546 6.514 5.273 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 2 -ATOM 2241 C C . ARG A 1 41 ? 9.046 6.684 6.720 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 2 -ATOM 2242 O O . ARG A 1 41 ? 9.830 6.713 7.669 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 2 -ATOM 2243 C CB . ARG A 1 41 ? 11.011 7.004 5.066 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 2 -ATOM 2244 C CG . ARG A 1 41 ? 11.238 8.533 4.987 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 2 -ATOM 2245 C CD . ARG A 1 41 ? 11.048 9.263 6.317 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 2 -ATOM 2246 N NE . ARG A 1 41 ? 11.967 8.789 7.371 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 2 -ATOM 2247 C CZ . ARG A 1 41 ? 12.036 9.293 8.618 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 2 -ATOM 2248 N NH1 . ARG A 1 41 ? 11.317 10.362 8.950 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 2 -ATOM 2249 N NH2 . ARG A 1 41 ? 12.840 8.737 9.518 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 2 -ATOM 2250 H H . ARG A 1 41 ? 8.803 8.103 4.073 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 2 -ATOM 2251 H HA . ARG A 1 41 ? 9.505 5.458 5.049 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 2 -ATOM 2252 H HB2 . ARG A 1 41 ? 11.608 6.633 5.885 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 2 -ATOM 2253 H HB3 . ARG A 1 41 ? 11.384 6.560 4.155 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 2 -ATOM 2254 H HG2 . ARG A 1 41 ? 12.238 8.718 4.631 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 2 -ATOM 2255 H HG3 . ARG A 1 41 ? 10.542 8.935 4.265 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 2 -ATOM 2256 H HD2 . ARG A 1 41 ? 11.220 10.316 6.158 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 2 -ATOM 2257 H HD3 . ARG A 1 41 ? 10.031 9.108 6.646 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 2 -ATOM 2258 H HE . ARG A 1 41 ? 12.532 8.024 7.119 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 2 -ATOM 2259 H HH11 . ARG A 1 41 ? 10.712 10.827 8.298 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 2 -ATOM 2260 H HH12 . ARG A 1 41 ? 11.340 10.745 9.878 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 2 -ATOM 2261 H HH21 . ARG A 1 41 ? 13.419 7.939 9.324 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 2 -ATOM 2262 H HH22 . ARG A 1 41 ? 12.902 9.093 10.456 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 2 -ATOM 2263 N N . ILE A 1 42 ? 7.734 6.658 6.875 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 2 -ATOM 2264 C CA . ILE A 1 42 ? 7.100 6.913 8.153 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 2 -ATOM 2265 C C . ILE A 1 42 ? 7.110 5.658 9.015 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 2 -ATOM 2266 O O . ILE A 1 42 ? 6.336 4.718 8.803 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 2 -ATOM 2267 C CB . ILE A 1 42 ? 5.651 7.454 7.971 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 2 -ATOM 2268 C CG1 . ILE A 1 42 ? 5.712 8.739 7.141 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 2 -ATOM 2269 C CG2 . ILE A 1 42 ? 4.994 7.723 9.332 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 2 -ATOM 2270 C CD1 . ILE A 1 42 ? 4.376 9.313 6.726 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 2 -ATOM 2271 H H . ILE A 1 42 ? 7.187 6.429 6.093 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 2 -ATOM 2272 H HA . ILE A 1 42 ? 7.692 7.670 8.642 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 2 -ATOM 2273 H HB . ILE A 1 42 ? 5.067 6.720 7.436 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 2 -ATOM 2274 H HG12 . ILE A 1 42 ? 6.206 9.498 7.726 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 2 -ATOM 2275 H HG13 . ILE A 1 42 ? 6.287 8.549 6.246 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 2 -ATOM 2276 H HG21 . ILE A 1 42 ? 4.954 6.806 9.900 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 2 -ATOM 2277 H HG22 . ILE A 1 42 ? 3.992 8.096 9.179 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 2 -ATOM 2278 H HG23 . ILE A 1 42 ? 5.573 8.458 9.870 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 2 -ATOM 2279 H HD11 . ILE A 1 42 ? 4.580 10.167 6.094 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 2 -ATOM 2280 H HD12 . ILE A 1 42 ? 3.814 9.617 7.596 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 2 -ATOM 2281 H HD13 . ILE A 1 42 ? 3.825 8.577 6.161 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 2 -ATOM 2282 N N . GLU A 1 43 ? 7.991 5.682 9.999 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 2 -ATOM 2283 C CA . GLU A 1 43 ? 8.275 4.559 10.894 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 2 -ATOM 2284 C C . GLU A 1 43 ? 7.031 4.008 11.615 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 2 -ATOM 2285 O O . GLU A 1 43 ? 6.941 2.804 11.866 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 2 -ATOM 2286 C CB . GLU A 1 43 ? 9.337 4.975 11.910 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 2 -ATOM 2287 C CG . GLU A 1 43 ? 8.955 6.202 12.727 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 2 -ATOM 2288 C CD . GLU A 1 43 ? 9.974 6.542 13.765 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 2 -ATOM 2289 O OE1 . GLU A 1 43 ? 10.098 5.790 14.748 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 2 -ATOM 2290 O OE2 . GLU A 1 43 ? 10.693 7.566 13.611 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 2 -ATOM 2291 H H . GLU A 1 43 ? 8.495 6.516 10.119 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 2 -ATOM 2292 H HA . GLU A 1 43 ? 8.693 3.767 10.291 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 2 -ATOM 2293 H HB2 . GLU A 1 43 ? 9.509 4.154 12.590 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 2 -ATOM 2294 H HB3 . GLU A 1 43 ? 10.254 5.194 11.383 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 2 -ATOM 2295 H HG2 . GLU A 1 43 ? 8.850 7.043 12.060 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 2 -ATOM 2296 H HG3 . GLU A 1 43 ? 8.009 6.011 13.212 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 2 -ATOM 2297 N N . ALA A 1 44 ? 6.072 4.876 11.908 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 2 -ATOM 2298 C CA . ALA A 1 44 ? 4.855 4.478 12.611 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 2 -ATOM 2299 C C . ALA A 1 44 ? 4.005 3.549 11.747 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 2 -ATOM 2300 O O . ALA A 1 44 ? 3.357 2.626 12.243 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 2 -ATOM 2301 C CB . ALA A 1 44 ? 4.057 5.708 13.019 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 2 -ATOM 2302 H H . ALA A 1 44 ? 6.202 5.810 11.647 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 2 -ATOM 2303 H HA . ALA A 1 44 ? 5.151 3.947 13.504 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 2 -ATOM 2304 H HB1 . ALA A 1 44 ? 4.675 6.350 13.629 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 2 -ATOM 2305 H HB2 . ALA A 1 44 ? 3.187 5.403 13.583 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 2 -ATOM 2306 H HB3 . ALA A 1 44 ? 3.744 6.243 12.134 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 2 -ATOM 2307 N N . ASN A 1 45 ? 4.067 3.755 10.452 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 2 -ATOM 2308 C CA . ASN A 1 45 ? 3.277 2.971 9.523 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 2 -ATOM 2309 C C . ASN A 1 45 ? 4.066 1.796 8.999 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 2 -ATOM 2310 O O . ASN A 1 45 ? 3.546 0.987 8.240 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 2 -ATOM 2311 C CB . ASN A 1 45 ? 2.782 3.825 8.343 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 2 -ATOM 2312 C CG . ASN A 1 45 ? 1.747 4.869 8.730 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 2 -ATOM 2313 O OD1 . ASN A 1 45 ? 0.987 4.698 9.686 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 2 -ATOM 2314 N ND2 . ASN A 1 45 ? 1.695 5.945 7.983 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 2 -ATOM 2315 H H . ASN A 1 45 ? 4.679 4.432 10.095 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 2 -ATOM 2316 H HA . ASN A 1 45 ? 2.417 2.598 10.058 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 2 -ATOM 2317 H HB2 . ASN A 1 45 ? 3.625 4.337 7.905 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 2 -ATOM 2318 H HB3 . ASN A 1 45 ? 2.348 3.171 7.601 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 2 -ATOM 2319 H HD21 . ASN A 1 45 ? 2.312 6.023 7.228 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 2 -ATOM 2320 H HD22 . ASN A 1 45 ? 1.020 6.627 8.197 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 2 -ATOM 2321 N N . LYS A 1 46 ? 5.313 1.692 9.403 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 2 -ATOM 2322 C CA . LYS A 1 46 ? 6.167 0.682 8.944 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 2 -ATOM 2323 C C . LYS A 1 46 ? 5.865 -0.616 9.652 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 2 -ATOM 2324 O O . LYS A 1 46 ? 5.605 -0.636 10.862 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 2 -ATOM 2325 C CB . LYS A 1 46 ? 7.589 1.125 9.170 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 2 -ATOM 2326 C CG . LYS A 1 46 ? 8.579 0.278 8.483 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 2 -ATOM 2327 C CD . LYS A 1 46 ? 9.912 0.986 8.373 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 2 -ATOM 2328 C CE . LYS A 1 46 ? 10.837 0.263 7.421 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 2 -ATOM 2329 N NZ . LYS A 1 46 ? 11.936 1.138 6.971 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 2 -ATOM 2330 H H . LYS A 1 46 ? 5.729 2.300 10.046 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 2 -ATOM 2331 H HA . LYS A 1 46 ? 6.013 0.559 7.882 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 2 -ATOM 2332 H HB2 . LYS A 1 46 ? 7.695 2.140 8.816 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 2 -ATOM 2333 H HB3 . LYS A 1 46 ? 7.787 1.095 10.230 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 2 -ATOM 2334 H HG2 . LYS A 1 46 ? 8.650 -0.627 9.062 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 2 -ATOM 2335 H HG3 . LYS A 1 46 ? 8.156 0.095 7.508 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 2 -ATOM 2336 H HD2 . LYS A 1 46 ? 9.751 1.987 8.002 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 2 -ATOM 2337 H HD3 . LYS A 1 46 ? 10.372 1.029 9.349 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 2 -ATOM 2338 H HE2 . LYS A 1 46 ? 11.250 -0.595 7.929 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 2 -ATOM 2339 H HE3 . LYS A 1 46 ? 10.262 -0.058 6.567 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 2 -ATOM 2340 H HZ1 . LYS A 1 46 ? 11.534 2.026 6.608 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 2 -ATOM 2341 H HZ2 . LYS A 1 46 ? 12.432 0.722 6.156 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 2 -ATOM 2342 H HZ3 . LYS A 1 46 ? 12.621 1.358 7.721 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 2 -ATOM 2343 N N . LEU A 1 47 ? 5.872 -1.674 8.903 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 2 -ATOM 2344 C CA . LEU A 1 47 ? 5.559 -2.981 9.417 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 2 -ATOM 2345 C C . LEU A 1 47 ? 6.789 -3.626 10.023 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 2 -ATOM 2346 O O . LEU A 1 47 ? 7.921 -3.284 9.661 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 2 -ATOM 2347 C CB . LEU A 1 47 ? 4.977 -3.861 8.314 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 2 -ATOM 2348 C CG . LEU A 1 47 ? 3.703 -3.339 7.654 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 2 -ATOM 2349 C CD1 . LEU A 1 47 ? 3.200 -4.307 6.622 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 2 -ATOM 2350 C CD2 . LEU A 1 47 ? 2.629 -3.079 8.677 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 2 -ATOM 2351 H H . LEU A 1 47 ? 6.120 -1.563 7.958 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 2 -ATOM 2352 H HA . LEU A 1 47 ? 4.814 -2.860 10.188 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 2 -ATOM 2353 H HB2 . LEU A 1 47 ? 5.727 -3.969 7.546 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 2 -ATOM 2354 H HB3 . LEU A 1 47 ? 4.766 -4.834 8.734 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 2 -ATOM 2355 H HG . LEU A 1 47 ? 3.922 -2.408 7.153 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 2 -ATOM 2356 H HD11 . LEU A 1 47 ? 3.022 -5.265 7.088 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 2 -ATOM 2357 H HD12 . LEU A 1 47 ? 3.917 -4.404 5.822 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 2 -ATOM 2358 H HD13 . LEU A 1 47 ? 2.264 -3.925 6.240 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 2 -ATOM 2359 H HD21 . LEU A 1 47 ? 2.425 -3.985 9.228 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 2 -ATOM 2360 H HD22 . LEU A 1 47 ? 1.742 -2.769 8.146 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 2 -ATOM 2361 H HD23 . LEU A 1 47 ? 2.948 -2.294 9.348 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 2 -ATOM 2362 N N . ARG A 1 48 ? 6.566 -4.541 10.931 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 2 -ATOM 2363 C CA . ARG A 1 48 ? 7.634 -5.210 11.630 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 2 -ATOM 2364 C C . ARG A 1 48 ? 8.083 -6.416 10.824 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 2 -ATOM 2365 O O . ARG A 1 48 ? 7.275 -7.272 10.482 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 2 -ATOM 2366 C CB . ARG A 1 48 ? 7.132 -5.618 13.044 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 2 -ATOM 2367 C CG . ARG A 1 48 ? 8.188 -6.146 14.048 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 2 -ATOM 2368 C CD . ARG A 1 48 ? 8.710 -7.536 13.706 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 2 -ATOM 2369 N NE . ARG A 1 48 ? 7.623 -8.521 13.662 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 2 -ATOM 2370 C CZ . ARG A 1 48 ? 7.582 -9.600 12.871 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 2 -ATOM 2371 N NH1 . ARG A 1 48 ? 8.586 -9.865 12.036 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 2 -ATOM 2372 N NH2 . ARG A 1 48 ? 6.535 -10.413 12.923 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 2 -ATOM 2373 H H . ARG A 1 48 ? 5.643 -4.798 11.143 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 2 -ATOM 2374 H HA . ARG A 1 48 ? 8.463 -4.527 11.737 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 2 -ATOM 2375 H HB2 . ARG A 1 48 ? 6.654 -4.759 13.491 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 2 -ATOM 2376 H HB3 . ARG A 1 48 ? 6.381 -6.384 12.919 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 2 -ATOM 2377 H HG2 . ARG A 1 48 ? 9.026 -5.467 14.065 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 2 -ATOM 2378 H HG3 . ARG A 1 48 ? 7.738 -6.172 15.029 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 2 -ATOM 2379 H HD2 . ARG A 1 48 ? 9.188 -7.499 12.738 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 2 -ATOM 2380 H HD3 . ARG A 1 48 ? 9.428 -7.836 14.455 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 2 -ATOM 2381 H HE . ARG A 1 48 ? 6.876 -8.340 14.281 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 2 -ATOM 2382 H HH11 . ARG A 1 48 ? 9.399 -9.279 11.981 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 2 -ATOM 2383 H HH12 . ARG A 1 48 ? 8.560 -10.649 11.407 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 2 -ATOM 2384 H HH21 . ARG A 1 48 ? 5.768 -10.231 13.545 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 2 -ATOM 2385 H HH22 . ARG A 1 48 ? 6.468 -11.240 12.355 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 2 -ATOM 2386 N N . GLY A 1 49 ? 9.356 -6.446 10.487 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 2 -ATOM 2387 C CA . GLY A 1 49 ? 9.943 -7.595 9.827 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 2 -ATOM 2388 C C . GLY A 1 49 ? 9.612 -7.682 8.366 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 2 -ATOM 2389 O O . GLY A 1 49 ? 9.841 -8.718 7.731 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 2 -ATOM 2390 H H . GLY A 1 49 ? 9.916 -5.658 10.664 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 2 -ATOM 2391 H HA2 . GLY A 1 49 ? 11.017 -7.547 9.931 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 2 -ATOM 2392 H HA3 . GLY A 1 49 ? 9.586 -8.488 10.317 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 2 -ATOM 2393 N N . MET A 1 50 ? 9.097 -6.623 7.831 1.00 0.00 ? ? ? ? ? ? 47 MET A N 2 -ATOM 2394 C CA . MET A 1 50 ? 8.730 -6.570 6.445 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 2 -ATOM 2395 C C . MET A 1 50 ? 9.674 -5.625 5.747 1.00 0.00 ? ? ? ? ? ? 47 MET A C 2 -ATOM 2396 O O . MET A 1 50 ? 9.917 -4.522 6.253 1.00 0.00 ? ? ? ? ? ? 47 MET A O 2 -ATOM 2397 C CB . MET A 1 50 ? 7.283 -6.098 6.294 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 2 -ATOM 2398 C CG . MET A 1 50 ? 6.244 -7.049 6.886 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 2 -ATOM 2399 S SD . MET A 1 50 ? 6.106 -8.615 5.993 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 2 -ATOM 2400 C CE . MET A 1 50 ? 5.442 -8.057 4.421 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 2 -ATOM 2401 H H . MET A 1 50 ? 8.984 -5.825 8.390 1.00 0.00 ? ? ? ? ? ? 47 MET A H 2 -ATOM 2402 H HA . MET A 1 50 ? 8.832 -7.563 6.034 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 2 -ATOM 2403 H HB2 . MET A 1 50 ? 7.192 -5.141 6.784 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 2 -ATOM 2404 H HB3 . MET A 1 50 ? 7.074 -5.968 5.242 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 2 -ATOM 2405 H HG2 . MET A 1 50 ? 6.520 -7.265 7.908 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 2 -ATOM 2406 H HG3 . MET A 1 50 ? 5.282 -6.559 6.878 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 2 -ATOM 2407 H HE1 . MET A 1 50 ? 6.138 -7.383 3.944 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 2 -ATOM 2408 H HE2 . MET A 1 50 ? 4.505 -7.548 4.592 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 2 -ATOM 2409 H HE3 . MET A 1 50 ? 5.269 -8.910 3.781 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 2 -ATOM 2410 N N . PRO A 1 51 ? 10.249 -6.037 4.602 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 2 -ATOM 2411 C CA . PRO A 1 51 ? 11.223 -5.227 3.867 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 2 -ATOM 2412 C C . PRO A 1 51 ? 10.622 -3.918 3.354 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 2 -ATOM 2413 O O . PRO A 1 51 ? 9.923 -3.894 2.323 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 2 -ATOM 2414 C CB . PRO A 1 51 ? 11.672 -6.130 2.711 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 2 -ATOM 2415 C CG . PRO A 1 51 ? 10.585 -7.138 2.562 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 2 -ATOM 2416 C CD . PRO A 1 51 ? 9.995 -7.329 3.931 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 2 -ATOM 2417 H HA . PRO A 1 51 ? 12.065 -4.993 4.501 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 2 -ATOM 2418 H HB2 . PRO A 1 51 ? 11.787 -5.536 1.816 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 2 -ATOM 2419 H HB3 . PRO A 1 51 ? 12.613 -6.601 2.957 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 2 -ATOM 2420 H HG2 . PRO A 1 51 ? 9.835 -6.763 1.881 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 2 -ATOM 2421 H HG3 . PRO A 1 51 ? 10.994 -8.068 2.196 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 2 -ATOM 2422 H HD2 . PRO A 1 51 ? 8.935 -7.521 3.856 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 2 -ATOM 2423 H HD3 . PRO A 1 51 ? 10.490 -8.138 4.448 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 2 -ATOM 2424 N N . ASP A 1 52 ? 10.819 -2.862 4.155 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 2 -ATOM 2425 C CA . ASP A 1 52 ? 10.338 -1.506 3.876 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 2 -ATOM 2426 C C . ASP A 1 52 ? 8.891 -1.450 3.465 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 2 -ATOM 2427 O O . ASP A 1 52 ? 8.521 -0.770 2.505 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 2 -ATOM 2428 C CB . ASP A 1 52 ? 11.257 -0.708 2.937 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 2 -ATOM 2429 C CG . ASP A 1 52 ? 12.341 0.014 3.704 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 2 -ATOM 2430 O OD1 . ASP A 1 52 ? 12.081 1.115 4.211 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 2 -ATOM 2431 O OD2 . ASP A 1 52 ? 13.465 -0.511 3.862 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 2 -ATOM 2432 H H . ASP A 1 52 ? 11.304 -3.024 4.992 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 2 -ATOM 2433 H HA . ASP A 1 52 ? 10.362 -1.021 4.841 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 2 -ATOM 2434 H HB2 . ASP A 1 52 ? 11.723 -1.384 2.235 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 2 -ATOM 2435 H HB3 . ASP A 1 52 ? 10.671 0.022 2.399 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 2 -ATOM 2436 N N . CYS A 1 53 ? 8.063 -2.160 4.198 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 2 -ATOM 2437 C CA . CYS A 1 53 ? 6.670 -2.158 3.922 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 2 -ATOM 2438 C C . CYS A 1 53 ? 5.976 -1.268 4.925 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 2 -ATOM 2439 O O . CYS A 1 53 ? 6.338 -1.245 6.118 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 2 -ATOM 2440 C CB . CYS A 1 53 ? 6.120 -3.579 3.967 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 2 -ATOM 2441 S SG . CYS A 1 53 ? 6.979 -4.727 2.858 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 2 -ATOM 2442 H H . CYS A 1 53 ? 8.395 -2.684 4.957 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 2 -ATOM 2443 H HA . CYS A 1 53 ? 6.519 -1.750 2.936 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 2 -ATOM 2444 H HB2 . CYS A 1 53 ? 6.211 -3.960 4.974 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 2 -ATOM 2445 H HB3 . CYS A 1 53 ? 5.079 -3.567 3.685 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 2 -ATOM 2446 H HG . CYS A 1 53 ? 8.149 -4.176 2.547 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 2 -ATOM 2447 N N . TYR A 1 54 ? 5.007 -0.549 4.457 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 2 -ATOM 2448 C CA . TYR A 1 54 ? 4.285 0.402 5.245 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 2 -ATOM 2449 C C . TYR A 1 54 ? 2.810 0.204 4.989 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 2 -ATOM 2450 O O . TYR A 1 54 ? 2.416 -0.255 3.906 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 2 -ATOM 2451 C CB . TYR A 1 54 ? 4.693 1.848 4.866 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 2 -ATOM 2452 C CG . TYR A 1 54 ? 6.166 2.194 5.078 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 2 -ATOM 2453 C CD1 . TYR A 1 54 ? 7.141 1.782 4.178 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 2 -ATOM 2454 C CD2 . TYR A 1 54 ? 6.573 2.925 6.175 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 2 -ATOM 2455 C CE1 . TYR A 1 54 ? 8.475 2.087 4.371 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 2 -ATOM 2456 C CE2 . TYR A 1 54 ? 7.906 3.233 6.375 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 2 -ATOM 2457 C CZ . TYR A 1 54 ? 8.850 2.812 5.470 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 2 -ATOM 2458 O OH . TYR A 1 54 ? 10.188 3.111 5.679 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 2 -ATOM 2459 H H . TYR A 1 54 ? 4.740 -0.661 3.515 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 2 -ATOM 2460 H HA . TYR A 1 54 ? 4.503 0.231 6.288 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 2 -ATOM 2461 H HB2 . TYR A 1 54 ? 4.477 2.006 3.821 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 2 -ATOM 2462 H HB3 . TYR A 1 54 ? 4.099 2.539 5.447 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 2 -ATOM 2463 H HD1 . TYR A 1 54 ? 6.843 1.209 3.312 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 2 -ATOM 2464 H HD2 . TYR A 1 54 ? 5.835 3.256 6.891 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 2 -ATOM 2465 H HE1 . TYR A 1 54 ? 9.213 1.753 3.657 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 2 -ATOM 2466 H HE2 . TYR A 1 54 ? 8.201 3.808 7.241 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 2 -ATOM 2467 H HH . TYR A 1 54 ? 10.549 3.386 4.827 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 2 -ATOM 2468 N N . LYS A 1 55 ? 2.013 0.514 5.963 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 2 -ATOM 2469 C CA . LYS A 1 55 ? 0.586 0.374 5.856 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 2 -ATOM 2470 C C . LYS A 1 55 ? -0.096 1.720 6.023 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 2 -ATOM 2471 O O . LYS A 1 55 ? 0.364 2.575 6.771 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 2 -ATOM 2472 C CB . LYS A 1 55 ? 0.043 -0.605 6.908 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 2 -ATOM 2473 C CG . LYS A 1 55 ? 0.380 -0.195 8.333 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 2 -ATOM 2474 C CD . LYS A 1 55 ? -0.327 -1.040 9.366 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 2 -ATOM 2475 C CE . LYS A 1 55 ? 0.088 -0.595 10.749 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 2 -ATOM 2476 N NZ . LYS A 1 55 ? -0.686 -1.240 11.823 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 2 -ATOM 2477 H H . LYS A 1 55 ? 2.399 0.863 6.798 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 2 -ATOM 2478 H HA . LYS A 1 55 ? 0.359 -0.015 4.876 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 2 -ATOM 2479 H HB2 . LYS A 1 55 ? -1.031 -0.656 6.815 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 2 -ATOM 2480 H HB3 . LYS A 1 55 ? 0.459 -1.585 6.728 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 2 -ATOM 2481 H HG2 . LYS A 1 55 ? 1.446 -0.289 8.480 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 2 -ATOM 2482 H HG3 . LYS A 1 55 ? 0.097 0.839 8.467 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 2 -ATOM 2483 H HD2 . LYS A 1 55 ? -1.394 -0.916 9.254 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 2 -ATOM 2484 H HD3 . LYS A 1 55 ? -0.060 -2.077 9.233 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 2 -ATOM 2485 H HE2 . LYS A 1 55 ? 1.133 -0.837 10.877 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 2 -ATOM 2486 H HE3 . LYS A 1 55 ? -0.032 0.475 10.797 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 2 -ATOM 2487 H HZ1 . LYS A 1 55 ? -0.527 -2.268 11.854 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 2 -ATOM 2488 H HZ2 . LYS A 1 55 ? -1.701 -1.063 11.682 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 2 -ATOM 2489 H HZ3 . LYS A 1 55 ? -0.415 -0.833 12.740 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 2 -ATOM 2490 N N . ILE A 1 56 ? -1.153 1.902 5.311 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 2 -ATOM 2491 C CA . ILE A 1 56 ? -1.975 3.068 5.435 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 2 -ATOM 2492 C C . ILE A 1 56 ? -3.279 2.679 6.077 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 2 -ATOM 2493 O O . ILE A 1 56 ? -3.877 1.668 5.712 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 2 -ATOM 2494 C CB . ILE A 1 56 ? -2.271 3.724 4.057 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 2 -ATOM 2495 C CG1 . ILE A 1 56 ? -0.990 4.280 3.440 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 2 -ATOM 2496 C CG2 . ILE A 1 56 ? -3.341 4.826 4.178 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 2 -ATOM 2497 C CD1 . ILE A 1 56 ? -1.185 4.839 2.052 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 2 -ATOM 2498 H H . ILE A 1 56 ? -1.389 1.210 4.653 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 2 -ATOM 2499 H HA . ILE A 1 56 ? -1.463 3.784 6.059 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 2 -ATOM 2500 H HB . ILE A 1 56 ? -2.666 2.956 3.409 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 2 -ATOM 2501 H HG12 . ILE A 1 56 ? -0.610 5.076 4.064 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 2 -ATOM 2502 H HG13 . ILE A 1 56 ? -0.258 3.488 3.385 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 2 -ATOM 2503 H HG21 . ILE A 1 56 ? -4.259 4.408 4.564 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 2 -ATOM 2504 H HG22 . ILE A 1 56 ? -3.536 5.261 3.209 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 2 -ATOM 2505 H HG23 . ILE A 1 56 ? -3.004 5.606 4.845 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 2 -ATOM 2506 H HD11 . ILE A 1 56 ? -0.299 5.365 1.728 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 2 -ATOM 2507 H HD12 . ILE A 1 56 ? -2.038 5.499 2.038 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 2 -ATOM 2508 H HD13 . ILE A 1 56 ? -1.374 4.021 1.374 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 2 -ATOM 2509 N N . LYS A 1 57 ? -3.672 3.444 7.043 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 2 -ATOM 2510 C CA . LYS A 1 57 ? -4.949 3.309 7.664 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 2 -ATOM 2511 C C . LYS A 1 57 ? -5.878 4.403 7.147 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 2 -ATOM 2512 O O . LYS A 1 57 ? -5.459 5.545 6.950 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 2 -ATOM 2513 C CB . LYS A 1 57 ? -4.837 3.274 9.217 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 2 -ATOM 2514 C CG . LYS A 1 57 ? -3.719 4.139 9.820 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 2 -ATOM 2515 C CD . LYS A 1 57 ? -3.911 5.626 9.586 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 2 -ATOM 2516 C CE . LYS A 1 57 ? -2.663 6.401 9.949 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 2 -ATOM 2517 N NZ . LYS A 1 57 ? -2.306 6.267 11.375 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 2 -ATOM 2518 H H . LYS A 1 57 ? -3.075 4.153 7.355 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 2 -ATOM 2519 H HA . LYS A 1 57 ? -5.336 2.364 7.317 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 2 -ATOM 2520 H HB2 . LYS A 1 57 ? -5.775 3.606 9.637 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 2 -ATOM 2521 H HB3 . LYS A 1 57 ? -4.673 2.250 9.520 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 2 -ATOM 2522 H HG2 . LYS A 1 57 ? -3.687 3.968 10.884 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 2 -ATOM 2523 H HG3 . LYS A 1 57 ? -2.780 3.832 9.382 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 2 -ATOM 2524 H HD2 . LYS A 1 57 ? -4.135 5.789 8.541 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 2 -ATOM 2525 H HD3 . LYS A 1 57 ? -4.736 5.974 10.190 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 2 -ATOM 2526 H HE2 . LYS A 1 57 ? -1.865 5.992 9.346 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 2 -ATOM 2527 H HE3 . LYS A 1 57 ? -2.817 7.440 9.700 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 2 -ATOM 2528 H HZ1 . LYS A 1 57 ? -2.105 5.281 11.643 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 2 -ATOM 2529 H HZ2 . LYS A 1 57 ? -3.072 6.606 11.989 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 2 -ATOM 2530 H HZ3 . LYS A 1 57 ? -1.469 6.837 11.610 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 2 -ATOM 2531 N N . LEU A 1 58 ? -7.101 4.044 6.869 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 2 -ATOM 2532 C CA . LEU A 1 58 ? -8.073 4.991 6.349 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 2 -ATOM 2533 C C . LEU A 1 58 ? -8.782 5.655 7.543 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 2 -ATOM 2534 O O . LEU A 1 58 ? -9.496 6.639 7.398 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 2 -ATOM 2535 C CB . LEU A 1 58 ? -9.055 4.236 5.406 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 2 -ATOM 2536 C CG . LEU A 1 58 ? -9.799 5.047 4.308 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 2 -ATOM 2537 C CD1 . LEU A 1 58 ? -10.425 4.103 3.307 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 2 -ATOM 2538 C CD2 . LEU A 1 58 ? -10.888 5.940 4.878 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 2 -ATOM 2539 H H . LEU A 1 58 ? -7.363 3.106 6.998 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 2 -ATOM 2540 H HA . LEU A 1 58 ? -7.537 5.747 5.792 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 2 -ATOM 2541 H HB2 . LEU A 1 58 ? -8.494 3.456 4.910 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 2 -ATOM 2542 H HB3 . LEU A 1 58 ? -9.797 3.757 6.027 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 2 -ATOM 2543 H HG . LEU A 1 58 ? -9.085 5.662 3.779 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 2 -ATOM 2544 H HD11 . LEU A 1 58 ? -10.935 4.673 2.546 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 2 -ATOM 2545 H HD12 . LEU A 1 58 ? -11.131 3.459 3.807 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 2 -ATOM 2546 H HD13 . LEU A 1 58 ? -9.656 3.502 2.845 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 2 -ATOM 2547 H HD21 . LEU A 1 58 ? -11.371 6.478 4.076 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 2 -ATOM 2548 H HD22 . LEU A 1 58 ? -10.450 6.641 5.573 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 2 -ATOM 2549 H HD23 . LEU A 1 58 ? -11.617 5.332 5.394 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 2 -ATOM 2550 N N . ARG A 1 59 ? -8.559 5.077 8.728 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 2 -ATOM 2551 C CA . ARG A 1 59 ? -9.080 5.550 10.022 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 2 -ATOM 2552 C C . ARG A 1 59 ? -10.572 5.247 10.164 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 2 -ATOM 2553 O O . ARG A 1 59 ? -10.981 4.490 11.032 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 2 -ATOM 2554 C CB . ARG A 1 59 ? -8.827 7.062 10.225 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 2 -ATOM 2555 C CG . ARG A 1 59 ? -9.207 7.596 11.600 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 2 -ATOM 2556 C CD . ARG A 1 59 ? -9.331 9.112 11.582 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 2 -ATOM 2557 N NE . ARG A 1 59 ? -8.140 9.787 11.046 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 2 -ATOM 2558 C CZ . ARG A 1 59 ? -8.167 10.965 10.387 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 2 -ATOM 2559 N NH1 . ARG A 1 59 ? -9.307 11.643 10.271 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 2 -ATOM 2560 N NH2 . ARG A 1 59 ? -7.053 11.464 9.867 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 2 -ATOM 2561 H H . ARG A 1 59 ? -8.022 4.257 8.725 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 2 -ATOM 2562 H HA . ARG A 1 59 ? -8.556 5.003 10.791 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 2 -ATOM 2563 H HB2 . ARG A 1 59 ? -7.779 7.262 10.065 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 2 -ATOM 2564 H HB3 . ARG A 1 59 ? -9.396 7.605 9.483 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 2 -ATOM 2565 H HG2 . ARG A 1 59 ? -10.155 7.168 11.890 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 2 -ATOM 2566 H HG3 . ARG A 1 59 ? -8.446 7.310 12.310 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 2 -ATOM 2567 H HD2 . ARG A 1 59 ? -10.174 9.376 10.963 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 2 -ATOM 2568 H HD3 . ARG A 1 59 ? -9.504 9.457 12.589 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 2 -ATOM 2569 H HE . ARG A 1 59 ? -7.293 9.305 11.187 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 2 -ATOM 2570 H HH11 . ARG A 1 59 ? -10.168 11.311 10.667 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 2 -ATOM 2571 H HH12 . ARG A 1 59 ? -9.374 12.515 9.777 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 2 -ATOM 2572 H HH21 . ARG A 1 59 ? -6.170 10.992 9.940 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 2 -ATOM 2573 H HH22 . ARG A 1 59 ? -7.039 12.339 9.373 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 2 -ATOM 2574 N N . SER A 1 60 ? -11.358 5.822 9.295 1.00 0.00 ? ? ? ? ? ? 57 SER A N 2 -ATOM 2575 C CA . SER A 1 60 ? -12.790 5.712 9.363 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 2 -ATOM 2576 C C . SER A 1 60 ? -13.301 4.335 8.889 1.00 0.00 ? ? ? ? ? ? 57 SER A C 2 -ATOM 2577 O O . SER A 1 60 ? -13.908 3.590 9.655 1.00 0.00 ? ? ? ? ? ? 57 SER A O 2 -ATOM 2578 C CB . SER A 1 60 ? -13.404 6.844 8.536 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 2 -ATOM 2579 O OG . SER A 1 60 ? -12.856 8.107 8.944 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 2 -ATOM 2580 H H . SER A 1 60 ? -10.946 6.359 8.580 1.00 0.00 ? ? ? ? ? ? 57 SER A H 2 -ATOM 2581 H HA . SER A 1 60 ? -13.084 5.855 10.391 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 2 -ATOM 2582 H HB2 . SER A 1 60 ? -13.182 6.682 7.492 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 2 -ATOM 2583 H HB3 . SER A 1 60 ? -14.473 6.863 8.684 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 2 -ATOM 2584 H HG . SER A 1 60 ? -12.968 8.156 9.903 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 2 -ATOM 2585 N N . SER A 1 61 ? -13.010 3.998 7.656 1.00 0.00 ? ? ? ? ? ? 58 SER A N 2 -ATOM 2586 C CA . SER A 1 61 ? -13.535 2.802 7.025 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 2 -ATOM 2587 C C . SER A 1 61 ? -12.981 1.488 7.615 1.00 0.00 ? ? ? ? ? ? 58 SER A C 2 -ATOM 2588 O O . SER A 1 61 ? -13.643 0.459 7.551 1.00 0.00 ? ? ? ? ? ? 58 SER A O 2 -ATOM 2589 C CB . SER A 1 61 ? -13.232 2.886 5.553 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 2 -ATOM 2590 O OG . SER A 1 61 ? -13.615 4.155 5.058 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 2 -ATOM 2591 H H . SER A 1 61 ? -12.454 4.579 7.098 1.00 0.00 ? ? ? ? ? ? 58 SER A H 2 -ATOM 2592 H HA . SER A 1 61 ? -14.608 2.811 7.136 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 2 -ATOM 2593 H HB2 . SER A 1 61 ? -12.171 2.749 5.407 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 2 -ATOM 2594 H HB3 . SER A 1 61 ? -13.775 2.118 5.022 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 2 -ATOM 2595 H HG . SER A 1 61 ? -14.429 4.042 4.551 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 2 -ATOM 2596 N N . GLY A 1 62 ? -11.792 1.522 8.193 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 2 -ATOM 2597 C CA . GLY A 1 62 ? -11.211 0.292 8.713 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 2 -ATOM 2598 C C . GLY A 1 62 ? -10.416 -0.433 7.645 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 2 -ATOM 2599 O O . GLY A 1 62 ? -10.155 -1.630 7.736 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 2 -ATOM 2600 H H . GLY A 1 62 ? -11.309 2.369 8.298 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 2 -ATOM 2601 H HA2 . GLY A 1 62 ? -10.565 0.527 9.546 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 2 -ATOM 2602 H HA3 . GLY A 1 62 ? -12.005 -0.355 9.054 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 2 -ATOM 2603 N N . TYR A 1 63 ? -10.028 0.296 6.637 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 2 -ATOM 2604 C CA . TYR A 1 63 ? -9.267 -0.259 5.547 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 2 -ATOM 2605 C C . TYR A 1 63 ? -7.797 0.027 5.719 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 2 -ATOM 2606 O O . TYR A 1 63 ? -7.413 1.028 6.341 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 2 -ATOM 2607 C CB . TYR A 1 63 ? -9.771 0.243 4.191 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 2 -ATOM 2608 C CG . TYR A 1 63 ? -11.049 -0.423 3.716 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 2 -ATOM 2609 C CD1 . TYR A 1 63 ? -12.272 -0.174 4.323 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 2 -ATOM 2610 C CD2 . TYR A 1 63 ? -11.028 -1.287 2.634 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 2 -ATOM 2611 C CE1 . TYR A 1 63 ? -13.433 -0.770 3.868 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 2 -ATOM 2612 C CE2 . TYR A 1 63 ? -12.179 -1.888 2.174 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 2 -ATOM 2613 C CZ . TYR A 1 63 ? -13.378 -1.628 2.791 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 2 -ATOM 2614 O OH . TYR A 1 63 ? -14.530 -2.221 2.321 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 2 -ATOM 2615 H H . TYR A 1 63 ? -10.235 1.251 6.642 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 2 -ATOM 2616 H HA . TYR A 1 63 ? -9.400 -1.330 5.586 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 2 -ATOM 2617 H HB2 . TYR A 1 63 ? -9.959 1.305 4.258 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 2 -ATOM 2618 H HB3 . TYR A 1 63 ? -9.007 0.070 3.448 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 2 -ATOM 2619 H HD1 . TYR A 1 63 ? -12.305 0.495 5.169 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 2 -ATOM 2620 H HD2 . TYR A 1 63 ? -10.085 -1.495 2.149 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 2 -ATOM 2621 H HE1 . TYR A 1 63 ? -14.375 -0.564 4.356 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 2 -ATOM 2622 H HE2 . TYR A 1 63 ? -12.135 -2.559 1.330 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 2 -ATOM 2623 H HH . TYR A 1 63 ? -14.292 -3.122 2.061 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 2 -ATOM 2624 N N . ARG A 1 64 ? -6.994 -0.874 5.226 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 2 -ATOM 2625 C CA . ARG A 1 64 ? -5.563 -0.785 5.290 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 2 -ATOM 2626 C C . ARG A 1 64 ? -4.995 -1.061 3.915 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 2 -ATOM 2627 O O . ARG A 1 64 ? -5.530 -1.883 3.162 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 2 -ATOM 2628 C CB . ARG A 1 64 ? -4.929 -1.788 6.296 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 2 -ATOM 2629 C CG . ARG A 1 64 ? -5.199 -1.562 7.794 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 2 -ATOM 2630 C CD . ARG A 1 64 ? -6.634 -1.870 8.199 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 2 -ATOM 2631 N NE . ARG A 1 64 ? -6.811 -1.837 9.654 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 2 -ATOM 2632 C CZ . ARG A 1 64 ? -7.733 -2.551 10.319 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 2 -ATOM 2633 N NH1 . ARG A 1 64 ? -8.747 -3.099 9.654 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 2 -ATOM 2634 N NH2 . ARG A 1 64 ? -7.694 -2.621 11.650 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 2 -ATOM 2635 H H . ARG A 1 64 ? -7.375 -1.638 4.736 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 2 -ATOM 2636 H HA . ARG A 1 64 ? -5.305 0.222 5.584 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 2 -ATOM 2637 H HB2 . ARG A 1 64 ? -5.289 -2.778 6.053 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 2 -ATOM 2638 H HB3 . ARG A 1 64 ? -3.860 -1.779 6.142 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 2 -ATOM 2639 H HG2 . ARG A 1 64 ? -4.544 -2.205 8.364 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 2 -ATOM 2640 H HG3 . ARG A 1 64 ? -4.977 -0.531 8.031 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 2 -ATOM 2641 H HD2 . ARG A 1 64 ? -7.286 -1.134 7.751 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 2 -ATOM 2642 H HD3 . ARG A 1 64 ? -6.899 -2.851 7.835 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 2 -ATOM 2643 H HE . ARG A 1 64 ? -6.146 -1.291 10.133 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 2 -ATOM 2644 H HH11 . ARG A 1 64 ? -8.873 -2.977 8.669 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 2 -ATOM 2645 H HH12 . ARG A 1 64 ? -9.448 -3.699 10.069 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 2 -ATOM 2646 H HH21 . ARG A 1 64 ? -6.994 -2.160 12.201 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 2 -ATOM 2647 H HH22 . ARG A 1 64 ? -8.378 -3.148 12.168 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 2 -ATOM 2648 N N . LEU A 1 65 ? -3.950 -0.384 3.593 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 2 -ATOM 2649 C CA . LEU A 1 65 ? -3.262 -0.565 2.340 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 2 -ATOM 2650 C C . LEU A 1 65 ? -1.798 -0.813 2.662 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 2 -ATOM 2651 O O . LEU A 1 65 ? -1.209 -0.057 3.410 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 2 -ATOM 2652 C CB . LEU A 1 65 ? -3.490 0.692 1.454 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 2 -ATOM 2653 C CG . LEU A 1 65 ? -2.908 0.700 0.027 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 2 -ATOM 2654 C CD1 . LEU A 1 65 ? -3.613 1.751 -0.805 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 2 -ATOM 2655 C CD2 . LEU A 1 65 ? -1.428 1.021 0.048 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 2 -ATOM 2656 H H . LEU A 1 65 ? -3.614 0.284 4.230 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 2 -ATOM 2657 H HA . LEU A 1 65 ? -3.670 -1.438 1.852 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 2 -ATOM 2658 H HB2 . LEU A 1 65 ? -4.555 0.850 1.376 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 2 -ATOM 2659 H HB3 . LEU A 1 65 ? -3.076 1.537 1.984 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 2 -ATOM 2660 H HG . LEU A 1 65 ? -3.047 -0.265 -0.435 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 2 -ATOM 2661 H HD11 . LEU A 1 65 ? -3.486 2.720 -0.346 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 2 -ATOM 2662 H HD12 . LEU A 1 65 ? -4.665 1.513 -0.864 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 2 -ATOM 2663 H HD13 . LEU A 1 65 ? -3.191 1.764 -1.799 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 2 -ATOM 2664 H HD21 . LEU A 1 65 ? -1.052 1.040 -0.963 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 2 -ATOM 2665 H HD22 . LEU A 1 65 ? -0.902 0.268 0.618 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 2 -ATOM 2666 H HD23 . LEU A 1 65 ? -1.284 1.988 0.505 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 2 -ATOM 2667 N N . VAL A 1 66 ? -1.234 -1.877 2.135 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 2 -ATOM 2668 C CA . VAL A 1 66 ? 0.137 -2.249 2.441 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 2 -ATOM 2669 C C . VAL A 1 66 ? 1.002 -2.131 1.189 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 2 -ATOM 2670 O O . VAL A 1 66 ? 0.716 -2.755 0.148 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 2 -ATOM 2671 C CB . VAL A 1 66 ? 0.228 -3.698 3.004 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 2 -ATOM 2672 C CG1 . VAL A 1 66 ? 1.657 -4.041 3.409 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 2 -ATOM 2673 C CG2 . VAL A 1 66 ? -0.715 -3.888 4.187 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 2 -ATOM 2674 H H . VAL A 1 66 ? -1.724 -2.431 1.484 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 2 -ATOM 2675 H HA . VAL A 1 66 ? 0.507 -1.560 3.186 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 2 -ATOM 2676 H HB . VAL A 1 66 ? -0.069 -4.378 2.218 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 2 -ATOM 2677 H HG11 . VAL A 1 66 ? 2.312 -3.945 2.555 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 2 -ATOM 2678 H HG12 . VAL A 1 66 ? 1.692 -5.053 3.782 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 2 -ATOM 2679 H HG13 . VAL A 1 66 ? 1.980 -3.366 4.190 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 2 -ATOM 2680 H HG21 . VAL A 1 66 ? -1.730 -3.697 3.872 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 2 -ATOM 2681 H HG22 . VAL A 1 66 ? -0.445 -3.200 4.975 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 2 -ATOM 2682 H HG23 . VAL A 1 66 ? -0.635 -4.900 4.553 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 2 -ATOM 2683 N N . TYR A 1 67 ? 2.039 -1.347 1.284 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 2 -ATOM 2684 C CA . TYR A 1 67 ? 2.928 -1.119 0.177 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 2 -ATOM 2685 C C . TYR A 1 67 ? 4.362 -1.235 0.620 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 2 -ATOM 2686 O O . TYR A 1 67 ? 4.649 -1.149 1.805 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 2 -ATOM 2687 C CB . TYR A 1 67 ? 2.683 0.258 -0.478 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 2 -ATOM 2688 C CG . TYR A 1 67 ? 2.884 1.481 0.414 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 2 -ATOM 2689 C CD1 . TYR A 1 67 ? 4.150 1.870 0.848 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 2 -ATOM 2690 C CD2 . TYR A 1 67 ? 1.812 2.254 0.789 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 2 -ATOM 2691 C CE1 . TYR A 1 67 ? 4.323 2.981 1.628 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 2 -ATOM 2692 C CE2 . TYR A 1 67 ? 1.981 3.368 1.568 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 2 -ATOM 2693 C CZ . TYR A 1 67 ? 3.239 3.727 1.985 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 2 -ATOM 2694 O OH . TYR A 1 67 ? 3.408 4.835 2.766 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 2 -ATOM 2695 H H . TYR A 1 67 ? 2.235 -0.911 2.146 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 2 -ATOM 2696 H HA . TYR A 1 67 ? 2.737 -1.886 -0.558 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 2 -ATOM 2697 H HB2 . TYR A 1 67 ? 3.344 0.372 -1.323 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 2 -ATOM 2698 H HB3 . TYR A 1 67 ? 1.662 0.281 -0.831 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 2 -ATOM 2699 H HD1 . TYR A 1 67 ? 5.006 1.277 0.561 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 2 -ATOM 2700 H HD2 . TYR A 1 67 ? 0.823 1.971 0.463 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 2 -ATOM 2701 H HE1 . TYR A 1 67 ? 5.312 3.264 1.958 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 2 -ATOM 2702 H HE2 . TYR A 1 67 ? 1.117 3.956 1.837 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 2 -ATOM 2703 H HH . TYR A 1 67 ? 2.745 4.825 3.461 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 2 -ATOM 2704 N N . GLN A 1 68 ? 5.238 -1.461 -0.308 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 2 -ATOM 2705 C CA . GLN A 1 68 ? 6.644 -1.467 -0.024 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 2 -ATOM 2706 C C . GLN A 1 68 ? 7.271 -0.270 -0.708 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 2 -ATOM 2707 O O . GLN A 1 68 ? 6.866 0.104 -1.826 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 2 -ATOM 2708 C CB . GLN A 1 68 ? 7.314 -2.761 -0.494 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 2 -ATOM 2709 C CG . GLN A 1 68 ? 7.275 -2.974 -2.001 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 2 -ATOM 2710 C CD . GLN A 1 68 ? 7.941 -4.254 -2.447 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 2 -ATOM 2711 O OE1 . GLN A 1 68 ? 7.557 -4.839 -3.462 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 2 -ATOM 2712 N NE2 . GLN A 1 68 ? 8.934 -4.700 -1.718 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 2 -ATOM 2713 H H . GLN A 1 68 ? 4.937 -1.599 -1.234 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 2 -ATOM 2714 H HA . GLN A 1 68 ? 6.774 -1.355 1.041 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 2 -ATOM 2715 H HB2 . GLN A 1 68 ? 8.349 -2.735 -0.185 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 2 -ATOM 2716 H HB3 . GLN A 1 68 ? 6.829 -3.599 -0.015 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 2 -ATOM 2717 H HG2 . GLN A 1 68 ? 6.243 -2.999 -2.319 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 2 -ATOM 2718 H HG3 . GLN A 1 68 ? 7.771 -2.139 -2.475 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 2 -ATOM 2719 H HE21 . GLN A 1 68 ? 9.208 -4.192 -0.926 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 2 -ATOM 2720 H HE22 . GLN A 1 68 ? 9.373 -5.538 -1.977 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 2 -ATOM 2721 N N . VAL A 1 69 ? 8.190 0.354 -0.060 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 2 -ATOM 2722 C CA . VAL A 1 69 ? 8.870 1.467 -0.649 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 2 -ATOM 2723 C C . VAL A 1 69 ? 10.149 0.977 -1.271 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 2 -ATOM 2724 O O . VAL A 1 69 ? 11.063 0.551 -0.573 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 2 -ATOM 2725 C CB . VAL A 1 69 ? 9.179 2.579 0.393 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 2 -ATOM 2726 C CG1 . VAL A 1 69 ? 9.967 3.723 -0.234 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 2 -ATOM 2727 C CG2 . VAL A 1 69 ? 7.895 3.109 0.992 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 2 -ATOM 2728 H H . VAL A 1 69 ? 8.443 0.049 0.843 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 2 -ATOM 2729 H HA . VAL A 1 69 ? 8.238 1.875 -1.424 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 2 -ATOM 2730 H HB . VAL A 1 69 ? 9.772 2.149 1.187 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 2 -ATOM 2731 H HG11 . VAL A 1 69 ? 9.391 4.165 -1.034 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 2 -ATOM 2732 H HG12 . VAL A 1 69 ? 10.897 3.341 -0.629 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 2 -ATOM 2733 H HG13 . VAL A 1 69 ? 10.175 4.469 0.518 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 2 -ATOM 2734 H HG21 . VAL A 1 69 ? 8.131 3.867 1.724 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 2 -ATOM 2735 H HG22 . VAL A 1 69 ? 7.364 2.299 1.469 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 2 -ATOM 2736 H HG23 . VAL A 1 69 ? 7.278 3.538 0.215 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 2 -ATOM 2737 N N . ILE A 1 70 ? 10.208 1.011 -2.573 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 2 -ATOM 2738 C CA . ILE A 1 70 ? 11.392 0.613 -3.248 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 2 -ATOM 2739 C C . ILE A 1 70 ? 12.147 1.875 -3.566 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 2 -ATOM 2740 O O . ILE A 1 70 ? 11.876 2.553 -4.573 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 2 -ATOM 2741 C CB . ILE A 1 70 ? 11.096 -0.164 -4.552 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 2 -ATOM 2742 C CG1 . ILE A 1 70 ? 10.089 -1.295 -4.281 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 2 -ATOM 2743 C CG2 . ILE A 1 70 ? 12.396 -0.743 -5.108 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 2 -ATOM 2744 C CD1 . ILE A 1 70 ? 9.649 -2.047 -5.524 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 2 -ATOM 2745 H H . ILE A 1 70 ? 9.447 1.336 -3.104 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 2 -ATOM 2746 H HA . ILE A 1 70 ? 11.981 0.001 -2.579 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 2 -ATOM 2747 H HB . ILE A 1 70 ? 10.678 0.518 -5.278 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 2 -ATOM 2748 H HG12 . ILE A 1 70 ? 10.535 -2.006 -3.602 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 2 -ATOM 2749 H HG13 . ILE A 1 70 ? 9.210 -0.873 -3.818 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 2 -ATOM 2750 H HG21 . ILE A 1 70 ? 12.832 -1.407 -4.375 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 2 -ATOM 2751 H HG22 . ILE A 1 70 ? 13.085 0.060 -5.322 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 2 -ATOM 2752 H HG23 . ILE A 1 70 ? 12.186 -1.294 -6.012 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 2 -ATOM 2753 H HD11 . ILE A 1 70 ? 10.509 -2.498 -5.997 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 2 -ATOM 2754 H HD12 . ILE A 1 70 ? 9.182 -1.358 -6.212 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 2 -ATOM 2755 H HD13 . ILE A 1 70 ? 8.942 -2.816 -5.250 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 2 -ATOM 2756 N N . ASP A 1 71 ? 13.062 2.204 -2.710 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 2 -ATOM 2757 C CA . ASP A 1 71 ? 13.812 3.438 -2.807 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 2 -ATOM 2758 C C . ASP A 1 71 ? 14.797 3.370 -3.961 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 2 -ATOM 2759 O O . ASP A 1 71 ? 15.095 4.387 -4.592 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 2 -ATOM 2760 C CB . ASP A 1 71 ? 14.503 3.758 -1.474 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 2 -ATOM 2761 C CG . ASP A 1 71 ? 15.158 5.119 -1.454 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 2 -ATOM 2762 O OD1 . ASP A 1 71 ? 14.447 6.135 -1.364 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 2 -ATOM 2763 O OD2 . ASP A 1 71 ? 16.397 5.200 -1.494 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 2 -ATOM 2764 H H . ASP A 1 71 ? 13.262 1.580 -1.975 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 2 -ATOM 2765 H HA . ASP A 1 71 ? 13.102 4.222 -3.030 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 2 -ATOM 2766 H HB2 . ASP A 1 71 ? 13.770 3.728 -0.681 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 2 -ATOM 2767 H HB3 . ASP A 1 71 ? 15.258 3.010 -1.283 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 2 -ATOM 2768 N N . GLU A 1 72 ? 15.258 2.147 -4.266 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 2 -ATOM 2769 C CA . GLU A 1 72 ? 16.149 1.901 -5.409 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 2 -ATOM 2770 C C . GLU A 1 72 ? 15.487 2.324 -6.716 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 2 -ATOM 2771 O O . GLU A 1 72 ? 16.112 2.922 -7.580 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 2 -ATOM 2772 C CB . GLU A 1 72 ? 16.490 0.411 -5.544 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 2 -ATOM 2773 C CG . GLU A 1 72 ? 17.358 -0.194 -4.457 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 2 -ATOM 2774 C CD . GLU A 1 72 ? 17.650 -1.651 -4.749 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 2 -ATOM 2775 O OE1 . GLU A 1 72 ? 18.376 -1.935 -5.730 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 2 -ATOM 2776 O OE2 . GLU A 1 72 ? 17.120 -2.538 -4.057 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 2 -ATOM 2777 H H . GLU A 1 72 ? 15.008 1.406 -3.670 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 2 -ATOM 2778 H HA . GLU A 1 72 ? 17.063 2.456 -5.264 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 2 -ATOM 2779 H HB2 . GLU A 1 72 ? 15.566 -0.145 -5.563 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 2 -ATOM 2780 H HB3 . GLU A 1 72 ? 16.984 0.265 -6.492 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 2 -ATOM 2781 H HG2 . GLU A 1 72 ? 18.291 0.348 -4.405 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 2 -ATOM 2782 H HG3 . GLU A 1 72 ? 16.842 -0.130 -3.512 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 2 -ATOM 2783 N N . LYS A 1 73 ? 14.210 2.036 -6.837 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 2 -ATOM 2784 C CA . LYS A 1 73 ? 13.501 2.302 -8.072 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 2 -ATOM 2785 C C . LYS A 1 73 ? 12.724 3.608 -7.994 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 2 -ATOM 2786 O O . LYS A 1 73 ? 12.198 4.090 -9.009 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 2 -ATOM 2787 C CB . LYS A 1 73 ? 12.571 1.131 -8.416 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 2 -ATOM 2788 C CG . LYS A 1 73 ? 13.291 -0.188 -8.671 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 2 -ATOM 2789 C CD . LYS A 1 73 ? 12.308 -1.315 -8.971 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 2 -ATOM 2790 C CE . LYS A 1 73 ? 13.015 -2.657 -9.164 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 2 -ATOM 2791 N NZ . LYS A 1 73 ? 13.933 -2.661 -10.330 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 2 -ATOM 2792 H H . LYS A 1 73 ? 13.739 1.645 -6.073 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 2 -ATOM 2793 H HA . LYS A 1 73 ? 14.243 2.389 -8.850 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 2 -ATOM 2794 H HB2 . LYS A 1 73 ? 11.912 0.975 -7.576 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 2 -ATOM 2795 H HB3 . LYS A 1 73 ? 11.987 1.380 -9.290 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 2 -ATOM 2796 H HG2 . LYS A 1 73 ? 13.946 -0.066 -9.520 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 2 -ATOM 2797 H HG3 . LYS A 1 73 ? 13.871 -0.444 -7.797 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 2 -ATOM 2798 H HD2 . LYS A 1 73 ? 11.610 -1.404 -8.153 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 2 -ATOM 2799 H HD3 . LYS A 1 73 ? 11.767 -1.071 -9.873 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 2 -ATOM 2800 H HE2 . LYS A 1 73 ? 13.586 -2.880 -8.274 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 2 -ATOM 2801 H HE3 . LYS A 1 73 ? 12.266 -3.423 -9.302 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 2 -ATOM 2802 H HZ1 . LYS A 1 73 ? 13.402 -2.456 -11.203 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 2 -ATOM 2803 H HZ2 . LYS A 1 73 ? 14.383 -3.589 -10.457 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 2 -ATOM 2804 H HZ3 . LYS A 1 73 ? 14.681 -1.945 -10.243 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 2 -ATOM 2805 N N . VAL A 1 74 ? 12.702 4.193 -6.788 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 2 -ATOM 2806 C CA . VAL A 1 74 ? 11.998 5.456 -6.498 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 2 -ATOM 2807 C C . VAL A 1 74 ? 10.466 5.243 -6.680 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 2 -ATOM 2808 O O . VAL A 1 74 ? 9.711 6.133 -7.077 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 2 -ATOM 2809 C CB . VAL A 1 74 ? 12.545 6.644 -7.395 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 2 -ATOM 2810 C CG1 . VAL A 1 74 ? 11.965 7.995 -6.980 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 2 -ATOM 2811 C CG2 . VAL A 1 74 ? 14.072 6.707 -7.340 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 2 -ATOM 2812 H H . VAL A 1 74 ? 13.183 3.756 -6.054 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 2 -ATOM 2813 H HA . VAL A 1 74 ? 12.177 5.675 -5.454 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 2 -ATOM 2814 H HB . VAL A 1 74 ? 12.254 6.454 -8.417 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 2 -ATOM 2815 H HG11 . VAL A 1 74 ? 12.365 8.770 -7.617 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 2 -ATOM 2816 H HG12 . VAL A 1 74 ? 12.232 8.200 -5.954 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 2 -ATOM 2817 H HG13 . VAL A 1 74 ? 10.890 7.969 -7.071 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 2 -ATOM 2818 H HG21 . VAL A 1 74 ? 14.481 5.778 -7.710 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 2 -ATOM 2819 H HG22 . VAL A 1 74 ? 14.392 6.862 -6.320 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 2 -ATOM 2820 H HG23 . VAL A 1 74 ? 14.421 7.523 -7.956 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 2 -ATOM 2821 N N . VAL A 1 75 ? 10.002 4.072 -6.308 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 2 -ATOM 2822 C CA . VAL A 1 75 ? 8.604 3.757 -6.469 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 2 -ATOM 2823 C C . VAL A 1 75 ? 8.040 3.110 -5.209 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 2 -ATOM 2824 O O . VAL A 1 75 ? 8.701 2.310 -4.541 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 2 -ATOM 2825 C CB . VAL A 1 75 ? 8.338 2.855 -7.737 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 2 -ATOM 2826 C CG1 . VAL A 1 75 ? 9.046 1.521 -7.640 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 2 -ATOM 2827 C CG2 . VAL A 1 75 ? 6.846 2.645 -7.993 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 2 -ATOM 2828 H H . VAL A 1 75 ? 10.593 3.415 -5.879 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 2 -ATOM 2829 H HA . VAL A 1 75 ? 8.089 4.696 -6.612 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 2 -ATOM 2830 H HB . VAL A 1 75 ? 8.756 3.373 -8.589 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 2 -ATOM 2831 H HG11 . VAL A 1 75 ? 10.105 1.702 -7.532 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 2 -ATOM 2832 H HG12 . VAL A 1 75 ? 8.861 0.953 -8.540 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 2 -ATOM 2833 H HG13 . VAL A 1 75 ? 8.679 0.978 -6.780 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 2 -ATOM 2834 H HG21 . VAL A 1 75 ? 6.710 2.036 -8.875 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 2 -ATOM 2835 H HG22 . VAL A 1 75 ? 6.360 3.599 -8.133 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 2 -ATOM 2836 H HG23 . VAL A 1 75 ? 6.405 2.145 -7.143 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 2 -ATOM 2837 N N . VAL A 1 76 ? 6.862 3.517 -4.875 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 2 -ATOM 2838 C CA . VAL A 1 76 ? 6.104 2.958 -3.814 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 2 -ATOM 2839 C C . VAL A 1 76 ? 5.181 1.934 -4.451 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 2 -ATOM 2840 O O . VAL A 1 76 ? 4.321 2.277 -5.283 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 2 -ATOM 2841 C CB . VAL A 1 76 ? 5.295 4.064 -3.092 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 2 -ATOM 2842 C CG1 . VAL A 1 76 ? 4.366 3.479 -2.065 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 2 -ATOM 2843 C CG2 . VAL A 1 76 ? 6.236 5.058 -2.431 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 2 -ATOM 2844 H H . VAL A 1 76 ? 6.442 4.240 -5.392 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 2 -ATOM 2845 H HA . VAL A 1 76 ? 6.773 2.472 -3.119 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 2 -ATOM 2846 H HB . VAL A 1 76 ? 4.714 4.599 -3.828 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 2 -ATOM 2847 H HG11 . VAL A 1 76 ? 3.674 2.805 -2.549 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 2 -ATOM 2848 H HG12 . VAL A 1 76 ? 3.817 4.273 -1.581 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 2 -ATOM 2849 H HG13 . VAL A 1 76 ? 4.940 2.935 -1.330 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 2 -ATOM 2850 H HG21 . VAL A 1 76 ? 6.866 5.513 -3.181 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 2 -ATOM 2851 H HG22 . VAL A 1 76 ? 6.853 4.541 -1.711 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 2 -ATOM 2852 H HG23 . VAL A 1 76 ? 5.661 5.823 -1.931 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 2 -ATOM 2853 N N . PHE A 1 77 ? 5.378 0.700 -4.110 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 2 -ATOM 2854 C CA . PHE A 1 77 ? 4.689 -0.371 -4.762 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 2 -ATOM 2855 C C . PHE A 1 77 ? 3.699 -1.020 -3.813 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 2 -ATOM 2856 O O . PHE A 1 77 ? 4.091 -1.630 -2.816 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 2 -ATOM 2857 C CB . PHE A 1 77 ? 5.720 -1.388 -5.258 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 2 -ATOM 2858 C CG . PHE A 1 77 ? 5.183 -2.391 -6.223 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 2 -ATOM 2859 C CD1 . PHE A 1 77 ? 4.951 -2.022 -7.527 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 2 -ATOM 2860 C CD2 . PHE A 1 77 ? 4.918 -3.693 -5.839 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 2 -ATOM 2861 C CE1 . PHE A 1 77 ? 4.463 -2.919 -8.438 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 2 -ATOM 2862 C CE2 . PHE A 1 77 ? 4.428 -4.603 -6.753 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 2 -ATOM 2863 C CZ . PHE A 1 77 ? 4.201 -4.214 -8.054 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 2 -ATOM 2864 H H . PHE A 1 77 ? 5.999 0.491 -3.374 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 2 -ATOM 2865 H HA . PHE A 1 77 ? 4.165 0.029 -5.618 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 2 -ATOM 2866 H HB2 . PHE A 1 77 ? 6.524 -0.862 -5.751 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 2 -ATOM 2867 H HB3 . PHE A 1 77 ? 6.121 -1.920 -4.407 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 2 -ATOM 2868 H HD1 . PHE A 1 77 ? 5.161 -1.005 -7.824 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 2 -ATOM 2869 H HD2 . PHE A 1 77 ? 5.096 -3.995 -4.817 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 2 -ATOM 2870 H HE1 . PHE A 1 77 ? 4.285 -2.604 -9.454 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 2 -ATOM 2871 H HE2 . PHE A 1 77 ? 4.220 -5.620 -6.455 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 2 -ATOM 2872 H HZ . PHE A 1 77 ? 3.819 -4.923 -8.775 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 2 -ATOM 2873 N N . VAL A 1 78 ? 2.433 -0.866 -4.107 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 2 -ATOM 2874 C CA . VAL A 1 78 ? 1.374 -1.432 -3.296 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 2 -ATOM 2875 C C . VAL A 1 78 ? 1.292 -2.925 -3.542 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 2 -ATOM 2876 O O . VAL A 1 78 ? 1.168 -3.359 -4.682 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 2 -ATOM 2877 C CB . VAL A 1 78 ? 0.007 -0.766 -3.602 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 2 -ATOM 2878 C CG1 . VAL A 1 78 ? -1.103 -1.335 -2.718 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 2 -ATOM 2879 C CG2 . VAL A 1 78 ? 0.102 0.746 -3.447 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 2 -ATOM 2880 H H . VAL A 1 78 ? 2.196 -0.358 -4.917 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 2 -ATOM 2881 H HA . VAL A 1 78 ? 1.623 -1.264 -2.258 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 2 -ATOM 2882 H HB . VAL A 1 78 ? -0.244 -0.985 -4.630 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 2 -ATOM 2883 H HG11 . VAL A 1 78 ? -0.850 -1.172 -1.681 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 2 -ATOM 2884 H HG12 . VAL A 1 78 ? -1.200 -2.395 -2.899 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 2 -ATOM 2885 H HG13 . VAL A 1 78 ? -2.037 -0.841 -2.942 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 2 -ATOM 2886 H HG21 . VAL A 1 78 ? 0.436 0.991 -2.450 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 2 -ATOM 2887 H HG22 . VAL A 1 78 ? -0.868 1.188 -3.618 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 2 -ATOM 2888 H HG23 . VAL A 1 78 ? 0.805 1.136 -4.167 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 2 -ATOM 2889 N N . ILE A 1 79 ? 1.379 -3.701 -2.486 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 2 -ATOM 2890 C CA . ILE A 1 79 ? 1.368 -5.145 -2.607 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 2 -ATOM 2891 C C . ILE A 1 79 ? -0.033 -5.683 -2.335 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 2 -ATOM 2892 O O . ILE A 1 79 ? -0.520 -6.581 -3.020 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 2 -ATOM 2893 C CB . ILE A 1 79 ? 2.351 -5.805 -1.599 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 2 -ATOM 2894 C CG1 . ILE A 1 79 ? 3.751 -5.181 -1.706 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 2 -ATOM 2895 C CG2 . ILE A 1 79 ? 2.433 -7.315 -1.853 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 2 -ATOM 2896 C CD1 . ILE A 1 79 ? 4.733 -5.710 -0.679 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 2 -ATOM 2897 H H . ILE A 1 79 ? 1.438 -3.292 -1.595 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 2 -ATOM 2898 H HA . ILE A 1 79 ? 1.672 -5.410 -3.609 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 2 -ATOM 2899 H HB . ILE A 1 79 ? 1.967 -5.649 -0.601 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 2 -ATOM 2900 H HG12 . ILE A 1 79 ? 4.156 -5.386 -2.686 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 2 -ATOM 2901 H HG13 . ILE A 1 79 ? 3.670 -4.112 -1.572 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 2 -ATOM 2902 H HG21 . ILE A 1 79 ? 2.777 -7.490 -2.863 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 2 -ATOM 2903 H HG22 . ILE A 1 79 ? 1.459 -7.762 -1.720 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 2 -ATOM 2904 H HG23 . ILE A 1 79 ? 3.133 -7.755 -1.158 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 2 -ATOM 2905 H HD11 . ILE A 1 79 ? 5.695 -5.240 -0.822 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 2 -ATOM 2906 H HD12 . ILE A 1 79 ? 4.830 -6.779 -0.800 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 2 -ATOM 2907 H HD13 . ILE A 1 79 ? 4.367 -5.494 0.314 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 2 -ATOM 2908 N N . SER A 1 80 ? -0.683 -5.135 -1.334 1.00 0.00 ? ? ? ? ? ? 77 SER A N 2 -ATOM 2909 C CA . SER A 1 80 ? -1.987 -5.603 -0.928 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 2 -ATOM 2910 C C . SER A 1 80 ? -2.815 -4.446 -0.380 1.00 0.00 ? ? ? ? ? ? 77 SER A C 2 -ATOM 2911 O O . SER A 1 80 ? -2.265 -3.467 0.125 1.00 0.00 ? ? ? ? ? ? 77 SER A O 2 -ATOM 2912 C CB . SER A 1 80 ? -1.821 -6.697 0.131 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 2 -ATOM 2913 O OG . SER A 1 80 ? -1.057 -7.776 -0.384 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 2 -ATOM 2914 H H . SER A 1 80 ? -0.298 -4.379 -0.839 1.00 0.00 ? ? ? ? ? ? 77 SER A H 2 -ATOM 2915 H HA . SER A 1 80 ? -2.483 -6.025 -1.790 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 2 -ATOM 2916 H HB2 . SER A 1 80 ? -1.295 -6.287 0.982 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 2 -ATOM 2917 H HB3 . SER A 1 80 ? -2.789 -7.063 0.438 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 2 -ATOM 2918 H HG . SER A 1 80 ? -0.868 -7.591 -1.312 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 2 -ATOM 2919 N N . VAL A 1 81 ? -4.115 -4.542 -0.509 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 2 -ATOM 2920 C CA . VAL A 1 81 ? -5.008 -3.515 -0.039 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 2 -ATOM 2921 C C . VAL A 1 81 ? -6.340 -4.152 0.382 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 2 -ATOM 2922 O O . VAL A 1 81 ? -6.723 -5.198 -0.152 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 2 -ATOM 2923 C CB . VAL A 1 81 ? -5.214 -2.413 -1.136 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 2 -ATOM 2924 C CG1 . VAL A 1 81 ? -5.805 -2.980 -2.411 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 2 -ATOM 2925 C CG2 . VAL A 1 81 ? -6.048 -1.257 -0.625 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 2 -ATOM 2926 H H . VAL A 1 81 ? -4.529 -5.333 -0.916 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 2 -ATOM 2927 H HA . VAL A 1 81 ? -4.554 -3.065 0.832 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 2 -ATOM 2928 H HB . VAL A 1 81 ? -4.233 -2.035 -1.386 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 2 -ATOM 2929 H HG11 . VAL A 1 81 ? -5.932 -2.187 -3.133 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 2 -ATOM 2930 H HG12 . VAL A 1 81 ? -6.762 -3.431 -2.195 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 2 -ATOM 2931 H HG13 . VAL A 1 81 ? -5.136 -3.727 -2.813 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 2 -ATOM 2932 H HG21 . VAL A 1 81 ? -7.021 -1.621 -0.328 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 2 -ATOM 2933 H HG22 . VAL A 1 81 ? -6.157 -0.516 -1.403 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 2 -ATOM 2934 H HG23 . VAL A 1 81 ? -5.555 -0.814 0.227 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 2 -ATOM 2935 N N . GLY A 1 82 ? -6.983 -3.584 1.373 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 2 -ATOM 2936 C CA . GLY A 1 82 ? -8.260 -4.072 1.806 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 2 -ATOM 2937 C C . GLY A 1 82 ? -8.431 -3.889 3.276 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 2 -ATOM 2938 O O . GLY A 1 82 ? -8.306 -2.786 3.784 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 2 -ATOM 2939 H H . GLY A 1 82 ? -6.582 -2.827 1.859 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 2 -ATOM 2940 H HA2 . GLY A 1 82 ? -9.033 -3.518 1.296 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 2 -ATOM 2941 H HA3 . GLY A 1 82 ? -8.352 -5.119 1.568 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 2 -ATOM 2942 N N . LYS A 1 83 ? -8.707 -4.944 3.964 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 2 -ATOM 2943 C CA . LYS A 1 83 ? -8.861 -4.897 5.387 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 2 -ATOM 2944 C C . LYS A 1 83 ? -7.894 -5.862 6.031 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 2 -ATOM 2945 O O . LYS A 1 83 ? -7.284 -6.676 5.348 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 2 -ATOM 2946 C CB . LYS A 1 83 ? -10.314 -5.156 5.804 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 2 -ATOM 2947 C CG . LYS A 1 83 ? -11.273 -4.055 5.350 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 2 -ATOM 2948 C CD . LYS A 1 83 ? -12.721 -4.333 5.729 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 2 -ATOM 2949 C CE . LYS A 1 83 ? -13.276 -5.549 5.004 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 2 -ATOM 2950 N NZ . LYS A 1 83 ? -14.691 -5.785 5.340 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 2 -ATOM 2951 H H . LYS A 1 83 ? -8.805 -5.815 3.520 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 2 -ATOM 2952 H HA . LYS A 1 83 ? -8.579 -3.900 5.692 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 2 -ATOM 2953 H HB2 . LYS A 1 83 ? -10.639 -6.098 5.390 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 2 -ATOM 2954 H HB3 . LYS A 1 83 ? -10.349 -5.207 6.883 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 2 -ATOM 2955 H HG2 . LYS A 1 83 ? -10.974 -3.126 5.810 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 2 -ATOM 2956 H HG3 . LYS A 1 83 ? -11.201 -3.957 4.276 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 2 -ATOM 2957 H HD2 . LYS A 1 83 ? -12.776 -4.510 6.793 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 2 -ATOM 2958 H HD3 . LYS A 1 83 ? -13.318 -3.468 5.479 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 2 -ATOM 2959 H HE2 . LYS A 1 83 ? -13.188 -5.396 3.939 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 2 -ATOM 2960 H HE3 . LYS A 1 83 ? -12.698 -6.414 5.293 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 2 -ATOM 2961 H HZ1 . LYS A 1 83 ? -14.800 -5.912 6.366 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 2 -ATOM 2962 H HZ2 . LYS A 1 83 ? -15.042 -6.656 4.893 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 2 -ATOM 2963 H HZ3 . LYS A 1 83 ? -15.297 -4.994 5.047 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 2 -ATOM 2964 N N . ALA A 1 84 ? -7.736 -5.759 7.320 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 2 -ATOM 2965 C CA . ALA A 1 84 ? -6.766 -6.560 8.029 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 2 -ATOM 2966 C C . ALA A 1 84 ? -7.459 -7.320 9.136 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 2 -ATOM 2967 O O . ALA A 1 84 ? -6.854 -7.673 10.153 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 2 -ATOM 2968 C CB . ALA A 1 84 ? -5.679 -5.656 8.586 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 2 -ATOM 2969 H H . ALA A 1 84 ? -8.310 -5.159 7.844 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 2 -ATOM 2970 H HA . ALA A 1 84 ? -6.321 -7.257 7.335 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 2 -ATOM 2971 H HB1 . ALA A 1 84 ? -5.207 -5.119 7.776 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 2 -ATOM 2972 H HB2 . ALA A 1 84 ? -4.940 -6.262 9.089 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 2 -ATOM 2973 H HB3 . ALA A 1 84 ? -6.111 -4.954 9.283 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 2 -ATOM 2974 N N . GLU A 1 85 ? -8.701 -7.654 8.872 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 2 -ATOM 2975 C CA . GLU A 1 85 ? -9.577 -8.296 9.835 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 2 -ATOM 2976 C C . GLU A 1 85 ? -9.058 -9.679 10.195 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 2 -ATOM 2977 O O . GLU A 1 85 ? -9.056 -10.076 11.361 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 2 -ATOM 2978 C CB . GLU A 1 85 ? -10.995 -8.413 9.271 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 2 -ATOM 2979 C CG . GLU A 1 85 ? -11.566 -7.107 8.740 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 2 -ATOM 2980 C CD . GLU A 1 85 ? -11.466 -5.973 9.730 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 2 -ATOM 2981 O OE1 . GLU A 1 85 ? -12.313 -5.878 10.639 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 2 -ATOM 2982 O OE2 . GLU A 1 85 ? -10.529 -5.160 9.617 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 2 -ATOM 2983 H H . GLU A 1 85 ? -9.025 -7.489 7.963 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 2 -ATOM 2984 H HA . GLU A 1 85 ? -9.608 -7.687 10.725 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 2 -ATOM 2985 H HB2 . GLU A 1 85 ? -10.986 -9.131 8.465 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 2 -ATOM 2986 H HB3 . GLU A 1 85 ? -11.642 -8.776 10.054 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 2 -ATOM 2987 H HG2 . GLU A 1 85 ? -11.028 -6.838 7.844 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 2 -ATOM 2988 H HG3 . GLU A 1 85 ? -12.607 -7.263 8.495 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 2 -ATOM 2989 N N . ALA A 1 86 ? -8.580 -10.386 9.205 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 2 -ATOM 2990 C CA . ALA A 1 86 ? -8.051 -11.718 9.394 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 2 -ATOM 2991 C C . ALA A 1 86 ? -6.576 -11.711 9.050 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 2 -ATOM 2992 O O . ALA A 1 86 ? -5.964 -12.759 8.861 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 2 -ATOM 2993 C CB . ALA A 1 86 ? -8.801 -12.710 8.514 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 2 -ATOM 2994 H H . ALA A 1 86 ? -8.552 -9.996 8.297 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 2 -ATOM 2995 H HA . ALA A 1 86 ? -8.180 -11.996 10.429 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 2 -ATOM 2996 H HB1 . ALA A 1 86 ? -8.679 -12.436 7.477 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 2 -ATOM 2997 H HB2 . ALA A 1 86 ? -9.850 -12.698 8.770 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 2 -ATOM 2998 H HB3 . ALA A 1 86 ? -8.405 -13.702 8.672 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 2 -ATOM 2999 N N . SER A 1 87 ? -6.020 -10.496 8.981 1.00 0.00 ? ? ? ? ? ? 84 SER A N 2 -ATOM 3000 C CA . SER A 1 87 ? -4.622 -10.243 8.633 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 2 -ATOM 3001 C C . SER A 1 87 ? -4.342 -10.643 7.172 1.00 0.00 ? ? ? ? ? ? 84 SER A C 2 -ATOM 3002 O O . SER A 1 87 ? -3.188 -10.803 6.776 1.00 0.00 ? ? ? ? ? ? 84 SER A O 2 -ATOM 3003 C CB . SER A 1 87 ? -3.678 -10.984 9.601 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 2 -ATOM 3004 O OG . SER A 1 87 ? -3.957 -10.624 10.949 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 2 -ATOM 3005 H H . SER A 1 87 ? -6.607 -9.734 9.168 1.00 0.00 ? ? ? ? ? ? 84 SER A H 2 -ATOM 3006 H HA . SER A 1 87 ? -4.461 -9.180 8.726 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 2 -ATOM 3007 H HB2 . SER A 1 87 ? -3.818 -12.049 9.488 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 2 -ATOM 3008 H HB3 . SER A 1 87 ? -2.653 -10.731 9.374 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 2 -ATOM 3009 H HG . SER A 1 87 ? -4.916 -10.602 11.058 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 2 -ATOM 3010 N N . GLU A 1 88 ? -5.404 -10.683 6.363 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 2 -ATOM 3011 C CA . GLU A 1 88 ? -5.357 -11.138 4.994 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 2 -ATOM 3012 C C . GLU A 1 88 ? -4.385 -10.325 4.135 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 2 -ATOM 3013 O O . GLU A 1 88 ? -3.610 -10.893 3.360 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 2 -ATOM 3014 C CB . GLU A 1 88 ? -6.772 -11.202 4.355 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 2 -ATOM 3015 C CG . GLU A 1 88 ? -7.621 -9.919 4.429 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 2 -ATOM 3016 C CD . GLU A 1 88 ? -8.351 -9.718 5.754 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 2 -ATOM 3017 O OE1 . GLU A 1 88 ? -7.701 -9.472 6.781 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 2 -ATOM 3018 O OE2 . GLU A 1 88 ? -9.598 -9.783 5.771 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 2 -ATOM 3019 H H . GLU A 1 88 ? -6.282 -10.362 6.685 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 2 -ATOM 3020 H HA . GLU A 1 88 ? -4.969 -12.144 5.033 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 2 -ATOM 3021 H HB2 . GLU A 1 88 ? -6.645 -11.442 3.314 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 2 -ATOM 3022 H HB3 . GLU A 1 88 ? -7.324 -12.002 4.826 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 2 -ATOM 3023 H HG2 . GLU A 1 88 ? -6.966 -9.074 4.276 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 2 -ATOM 3024 H HG3 . GLU A 1 88 ? -8.349 -9.949 3.632 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 2 -ATOM 3025 N N . VAL A 1 89 ? -4.378 -9.009 4.318 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 2 -ATOM 3026 C CA . VAL A 1 89 ? -3.464 -8.143 3.566 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 2 -ATOM 3027 C C . VAL A 1 89 ? -2.004 -8.381 3.946 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 2 -ATOM 3028 O O . VAL A 1 89 ? -1.102 -8.134 3.160 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 2 -ATOM 3029 C CB . VAL A 1 89 ? -3.803 -6.631 3.689 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 2 -ATOM 3030 C CG1 . VAL A 1 89 ? -5.135 -6.332 3.034 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 2 -ATOM 3031 C CG2 . VAL A 1 89 ? -3.810 -6.176 5.148 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 2 -ATOM 3032 H H . VAL A 1 89 ? -5.020 -8.621 4.949 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 2 -ATOM 3033 H HA . VAL A 1 89 ? -3.570 -8.431 2.529 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 2 -ATOM 3034 H HB . VAL A 1 89 ? -3.044 -6.075 3.159 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 2 -ATOM 3035 H HG11 . VAL A 1 89 ? -5.910 -6.905 3.519 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 2 -ATOM 3036 H HG12 . VAL A 1 89 ? -5.092 -6.595 1.987 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 2 -ATOM 3037 H HG13 . VAL A 1 89 ? -5.355 -5.279 3.130 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 2 -ATOM 3038 H HG21 . VAL A 1 89 ? -2.834 -6.342 5.580 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 2 -ATOM 3039 H HG22 . VAL A 1 89 ? -4.549 -6.740 5.696 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 2 -ATOM 3040 H HG23 . VAL A 1 89 ? -4.051 -5.125 5.196 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 2 -ATOM 3041 N N . TYR A 1 90 ? -1.779 -8.887 5.140 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 2 -ATOM 3042 C CA . TYR A 1 90 ? -0.433 -9.162 5.576 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 2 -ATOM 3043 C C . TYR A 1 90 ? -0.016 -10.496 5.033 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 2 -ATOM 3044 O O . TYR A 1 90 ? 1.091 -10.646 4.536 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 2 -ATOM 3045 C CB . TYR A 1 90 ? -0.310 -9.139 7.102 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 2 -ATOM 3046 C CG . TYR A 1 90 ? -0.693 -7.816 7.722 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 2 -ATOM 3047 C CD1 . TYR A 1 90 ? 0.022 -6.663 7.434 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 2 -ATOM 3048 C CD2 . TYR A 1 90 ? -1.764 -7.720 8.596 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 2 -ATOM 3049 C CE1 . TYR A 1 90 ? -0.321 -5.453 7.997 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 2 -ATOM 3050 C CE2 . TYR A 1 90 ? -2.112 -6.515 9.164 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 2 -ATOM 3051 C CZ . TYR A 1 90 ? -1.390 -5.386 8.860 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 2 -ATOM 3052 O OH . TYR A 1 90 ? -1.736 -4.183 9.425 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 2 -ATOM 3053 H H . TYR A 1 90 ? -2.536 -9.117 5.720 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 2 -ATOM 3054 H HA . TYR A 1 90 ? 0.208 -8.402 5.154 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 2 -ATOM 3055 H HB2 . TYR A 1 90 ? -0.953 -9.902 7.516 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 2 -ATOM 3056 H HB3 . TYR A 1 90 ? 0.711 -9.355 7.376 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 2 -ATOM 3057 H HD1 . TYR A 1 90 ? 0.859 -6.723 6.755 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 2 -ATOM 3058 H HD2 . TYR A 1 90 ? -2.329 -8.608 8.835 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 2 -ATOM 3059 H HE1 . TYR A 1 90 ? 0.249 -4.567 7.760 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 2 -ATOM 3060 H HE2 . TYR A 1 90 ? -2.949 -6.460 9.843 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 2 -ATOM 3061 H HH . TYR A 1 90 ? -1.781 -3.508 8.740 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 2 -ATOM 3062 N N . SER A 1 91 ? -0.943 -11.447 5.084 1.00 0.00 ? ? ? ? ? ? 88 SER A N 2 -ATOM 3063 C CA . SER A 1 91 ? -0.727 -12.789 4.590 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 2 -ATOM 3064 C C . SER A 1 91 ? -0.365 -12.770 3.103 1.00 0.00 ? ? ? ? ? ? 88 SER A C 2 -ATOM 3065 O O . SER A 1 91 ? 0.556 -13.470 2.663 1.00 0.00 ? ? ? ? ? ? 88 SER A O 2 -ATOM 3066 C CB . SER A 1 91 ? -2.000 -13.600 4.789 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 2 -ATOM 3067 O OG . SER A 1 91 ? -2.424 -13.556 6.146 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 2 -ATOM 3068 H H . SER A 1 91 ? -1.819 -11.246 5.481 1.00 0.00 ? ? ? ? ? ? 88 SER A H 2 -ATOM 3069 H HA . SER A 1 91 ? 0.067 -13.246 5.158 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 2 -ATOM 3070 H HB2 . SER A 1 91 ? -2.781 -13.188 4.167 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 2 -ATOM 3071 H HB3 . SER A 1 91 ? -1.819 -14.626 4.508 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 2 -ATOM 3072 H HG . SER A 1 91 ? -1.648 -13.451 6.712 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 2 -ATOM 3073 N N . GLU A 1 92 ? -1.084 -11.962 2.346 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 2 -ATOM 3074 C CA . GLU A 1 92 ? -0.871 -11.856 0.923 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 2 -ATOM 3075 C C . GLU A 1 92 ? 0.528 -11.289 0.646 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 2 -ATOM 3076 O O . GLU A 1 92 ? 1.319 -11.873 -0.112 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 2 -ATOM 3077 C CB . GLU A 1 92 ? -1.946 -10.952 0.314 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 2 -ATOM 3078 C CG . GLU A 1 92 ? -1.997 -10.989 -1.197 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 2 -ATOM 3079 C CD . GLU A 1 92 ? -2.365 -12.353 -1.703 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 2 -ATOM 3080 O OE1 . GLU A 1 92 ? -3.574 -12.648 -1.822 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 2 -ATOM 3081 O OE2 . GLU A 1 92 ? -1.473 -13.156 -1.978 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 2 -ATOM 3082 H H . GLU A 1 92 ? -1.799 -11.426 2.756 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 2 -ATOM 3083 H HA . GLU A 1 92 ? -0.950 -12.841 0.489 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 2 -ATOM 3084 H HB2 . GLU A 1 92 ? -2.910 -11.259 0.690 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 2 -ATOM 3085 H HB3 . GLU A 1 92 ? -1.759 -9.935 0.624 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 2 -ATOM 3086 H HG2 . GLU A 1 92 ? -2.729 -10.275 -1.544 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 2 -ATOM 3087 H HG3 . GLU A 1 92 ? -1.024 -10.728 -1.586 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 2 -ATOM 3088 N N . ALA A 1 93 ? 0.838 -10.189 1.313 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 2 -ATOM 3089 C CA . ALA A 1 93 ? 2.101 -9.499 1.145 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 2 -ATOM 3090 C C . ALA A 1 93 ? 3.293 -10.366 1.549 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 2 -ATOM 3091 O O . ALA A 1 93 ? 4.230 -10.553 0.762 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 2 -ATOM 3092 C CB . ALA A 1 93 ? 2.099 -8.193 1.928 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 2 -ATOM 3093 H H . ALA A 1 93 ? 0.177 -9.815 1.933 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 2 -ATOM 3094 H HA . ALA A 1 93 ? 2.196 -9.255 0.097 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 2 -ATOM 3095 H HB1 . ALA A 1 93 ? 2.037 -8.410 2.984 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 2 -ATOM 3096 H HB2 . ALA A 1 93 ? 1.247 -7.596 1.635 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 2 -ATOM 3097 H HB3 . ALA A 1 93 ? 3.008 -7.649 1.725 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 2 -ATOM 3098 N N . VAL A 1 94 ? 3.237 -10.941 2.747 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 2 -ATOM 3099 C CA . VAL A 1 94 ? 4.359 -11.711 3.266 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 2 -ATOM 3100 C C . VAL A 1 94 ? 4.599 -12.991 2.456 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 2 -ATOM 3101 O O . VAL A 1 94 ? 5.731 -13.407 2.285 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 2 -ATOM 3102 C CB . VAL A 1 94 ? 4.243 -12.020 4.807 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 2 -ATOM 3103 C CG1 . VAL A 1 94 ? 3.088 -12.959 5.132 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 2 -ATOM 3104 C CG2 . VAL A 1 94 ? 5.560 -12.554 5.368 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 2 -ATOM 3105 H H . VAL A 1 94 ? 2.424 -10.839 3.293 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 2 -ATOM 3106 H HA . VAL A 1 94 ? 5.230 -11.090 3.113 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 2 -ATOM 3107 H HB . VAL A 1 94 ? 4.028 -11.083 5.299 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 2 -ATOM 3108 H HG11 . VAL A 1 94 ? 3.062 -13.147 6.195 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 2 -ATOM 3109 H HG12 . VAL A 1 94 ? 3.216 -13.891 4.603 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 2 -ATOM 3110 H HG13 . VAL A 1 94 ? 2.159 -12.498 4.825 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 2 -ATOM 3111 H HG21 . VAL A 1 94 ? 6.339 -11.820 5.223 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 2 -ATOM 3112 H HG22 . VAL A 1 94 ? 5.826 -13.467 4.855 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 2 -ATOM 3113 H HG23 . VAL A 1 94 ? 5.446 -12.756 6.424 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 2 -ATOM 3114 N N . LYS A 1 95 ? 3.546 -13.586 1.918 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 2 -ATOM 3115 C CA . LYS A 1 95 ? 3.710 -14.806 1.135 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 2 -ATOM 3116 C C . LYS A 1 95 ? 4.231 -14.550 -0.261 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 2 -ATOM 3117 O O . LYS A 1 95 ? 4.677 -15.470 -0.935 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 2 -ATOM 3118 C CB . LYS A 1 95 ? 2.463 -15.686 1.116 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 2 -ATOM 3119 C CG . LYS A 1 95 ? 2.090 -16.345 2.460 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 2 -ATOM 3120 C CD . LYS A 1 95 ? 3.239 -17.169 3.049 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 2 -ATOM 3121 C CE . LYS A 1 95 ? 4.105 -16.354 4.006 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 2 -ATOM 3122 N NZ . LYS A 1 95 ? 5.346 -17.051 4.358 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 2 -ATOM 3123 H H . LYS A 1 95 ? 2.648 -13.207 2.043 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 2 -ATOM 3124 H HA . LYS A 1 95 ? 4.499 -15.359 1.622 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 2 -ATOM 3125 H HB2 . LYS A 1 95 ? 1.626 -15.079 0.804 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 2 -ATOM 3126 H HB3 . LYS A 1 95 ? 2.611 -16.468 0.387 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 2 -ATOM 3127 H HG2 . LYS A 1 95 ? 1.820 -15.576 3.168 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 2 -ATOM 3128 H HG3 . LYS A 1 95 ? 1.242 -16.992 2.295 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 2 -ATOM 3129 H HD2 . LYS A 1 95 ? 2.825 -18.006 3.591 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 2 -ATOM 3130 H HD3 . LYS A 1 95 ? 3.856 -17.535 2.242 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 2 -ATOM 3131 H HE2 . LYS A 1 95 ? 4.352 -15.401 3.563 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 2 -ATOM 3132 H HE3 . LYS A 1 95 ? 3.537 -16.181 4.908 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 2 -ATOM 3133 H HZ1 . LYS A 1 95 ? 5.846 -16.547 5.118 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 2 -ATOM 3134 H HZ2 . LYS A 1 95 ? 5.975 -17.083 3.523 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 2 -ATOM 3135 H HZ3 . LYS A 1 95 ? 5.164 -18.023 4.677 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 2 -ATOM 3136 N N . ARG A 1 96 ? 4.178 -13.315 -0.712 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 2 -ATOM 3137 C CA . ARG A 1 96 ? 4.762 -13.004 -1.999 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 2 -ATOM 3138 C C . ARG A 1 96 ? 6.270 -12.861 -1.808 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 2 -ATOM 3139 O O . ARG A 1 96 ? 7.077 -13.263 -2.652 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 2 -ATOM 3140 C CB . ARG A 1 96 ? 4.205 -11.702 -2.575 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 2 -ATOM 3141 C CG . ARG A 1 96 ? 4.525 -11.520 -4.055 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 2 -ATOM 3142 C CD . ARG A 1 96 ? 4.402 -10.075 -4.482 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 2 -ATOM 3143 N NE . ARG A 1 96 ? 5.469 -9.268 -3.883 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 2 -ATOM 3144 C CZ . ARG A 1 96 ? 5.647 -7.959 -4.044 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 2 -ATOM 3145 N NH1 . ARG A 1 96 ? 4.833 -7.252 -4.830 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 2 -ATOM 3146 N NH2 . ARG A 1 96 ? 6.669 -7.368 -3.437 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 2 -ATOM 3147 H H . ARG A 1 96 ? 3.724 -12.617 -0.188 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 2 -ATOM 3148 H HA . ARG A 1 96 ? 4.571 -13.822 -2.673 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 2 -ATOM 3149 H HB2 . ARG A 1 96 ? 3.133 -11.696 -2.453 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 2 -ATOM 3150 H HB3 . ARG A 1 96 ? 4.630 -10.871 -2.033 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 2 -ATOM 3151 H HG2 . ARG A 1 96 ? 5.538 -11.852 -4.234 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 2 -ATOM 3152 H HG3 . ARG A 1 96 ? 3.844 -12.122 -4.638 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 2 -ATOM 3153 H HD2 . ARG A 1 96 ? 4.476 -10.018 -5.557 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 2 -ATOM 3154 H HD3 . ARG A 1 96 ? 3.446 -9.691 -4.159 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 2 -ATOM 3155 H HE . ARG A 1 96 ? 6.108 -9.778 -3.333 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 2 -ATOM 3156 H HH11 . ARG A 1 96 ? 4.059 -7.667 -5.335 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 2 -ATOM 3157 H HH12 . ARG A 1 96 ? 4.945 -6.270 -4.973 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 2 -ATOM 3158 H HH21 . ARG A 1 96 ? 7.317 -7.876 -2.860 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 2 -ATOM 3159 H HH22 . ARG A 1 96 ? 6.870 -6.384 -3.520 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 2 -ATOM 3160 N N . ILE A 1 97 ? 6.627 -12.336 -0.664 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 2 -ATOM 3161 C CA . ILE A 1 97 ? 8.007 -12.049 -0.318 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 2 -ATOM 3162 C C . ILE A 1 97 ? 8.715 -13.305 0.224 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 2 -ATOM 3163 O O . ILE A 1 97 ? 9.914 -13.511 0.001 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 2 -ATOM 3164 C CB . ILE A 1 97 ? 8.046 -10.890 0.714 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 2 -ATOM 3165 C CG1 . ILE A 1 97 ? 7.313 -9.679 0.124 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 2 -ATOM 3166 C CG2 . ILE A 1 97 ? 9.484 -10.517 1.072 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 2 -ATOM 3167 C CD1 . ILE A 1 97 ? 7.130 -8.530 1.075 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 2 -ATOM 3168 H H . ILE A 1 97 ? 5.925 -12.123 -0.013 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 2 -ATOM 3169 H HA . ILE A 1 97 ? 8.516 -11.729 -1.214 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 2 -ATOM 3170 H HB . ILE A 1 97 ? 7.530 -11.199 1.611 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 2 -ATOM 3171 H HG12 . ILE A 1 97 ? 7.870 -9.311 -0.724 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 2 -ATOM 3172 H HG13 . ILE A 1 97 ? 6.335 -9.993 -0.214 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 2 -ATOM 3173 H HG21 . ILE A 1 97 ? 10.004 -10.196 0.182 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 2 -ATOM 3174 H HG22 . ILE A 1 97 ? 9.985 -11.376 1.494 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 2 -ATOM 3175 H HG23 . ILE A 1 97 ? 9.475 -9.714 1.795 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 2 -ATOM 3176 H HD11 . ILE A 1 97 ? 8.094 -8.188 1.420 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 2 -ATOM 3177 H HD12 . ILE A 1 97 ? 6.532 -8.869 1.908 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 2 -ATOM 3178 H HD13 . ILE A 1 97 ? 6.616 -7.732 0.561 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 2 -ATOM 3179 N N . LEU A 1 98 ? 7.989 -14.130 0.924 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 2 -ATOM 3180 C CA . LEU A 1 98 ? 8.524 -15.364 1.438 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 2 -ATOM 3181 C C . LEU A 1 98 ? 7.526 -16.482 1.181 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 2 -ATOM 3182 O O . LEU A 1 98 ? 6.797 -16.886 2.114 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 2 -ATOM 3183 C CB . LEU A 1 98 ? 8.824 -15.241 2.944 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 2 -ATOM 3184 C CG . LEU A 1 98 ? 9.450 -16.475 3.611 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 2 -ATOM 3185 C CD1 . LEU A 1 98 ? 10.827 -16.769 3.038 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 2 -ATOM 3186 C CD2 . LEU A 1 98 ? 9.509 -16.304 5.118 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 2 -ATOM 3187 O OXT . LEU A 1 98 ? 7.433 -16.946 0.031 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 2 -ATOM 3188 H H . LEU A 1 98 ? 7.049 -13.926 1.129 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 2 -ATOM 3189 H HA . LEU A 1 98 ? 9.440 -15.576 0.908 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 2 -ATOM 3190 H HB2 . LEU A 1 98 ? 9.494 -14.406 3.085 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 2 -ATOM 3191 H HB3 . LEU A 1 98 ? 7.898 -15.018 3.452 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 2 -ATOM 3192 H HG . LEU A 1 98 ? 8.825 -17.330 3.392 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 2 -ATOM 3193 H HD11 . LEU A 1 98 ? 11.251 -17.627 3.536 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 2 -ATOM 3194 H HD12 . LEU A 1 98 ? 11.467 -15.912 3.183 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 2 -ATOM 3195 H HD13 . LEU A 1 98 ? 10.739 -16.978 1.981 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 2 -ATOM 3196 H HD21 . LEU A 1 98 ? 9.978 -17.169 5.563 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 2 -ATOM 3197 H HD22 . LEU A 1 98 ? 8.506 -16.203 5.507 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 2 -ATOM 3198 H HD23 . LEU A 1 98 ? 10.079 -15.420 5.360 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 2 -ATOM 3199 N N . MET A 1 4 ? 12.213 14.189 -1.788 1.00 0.00 ? ? ? ? ? ? 1 MET A N 3 -ATOM 3200 C CA . MET A 1 4 ? 12.256 13.166 -2.817 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 3 -ATOM 3201 C C . MET A 1 4 ? 10.875 12.584 -2.947 1.00 0.00 ? ? ? ? ? ? 1 MET A C 3 -ATOM 3202 O O . MET A 1 4 ? 10.178 12.424 -1.950 1.00 0.00 ? ? ? ? ? ? 1 MET A O 3 -ATOM 3203 C CB . MET A 1 4 ? 13.246 12.058 -2.435 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 3 -ATOM 3204 C CG . MET A 1 4 ? 13.489 11.022 -3.528 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 3 -ATOM 3205 S SD . MET A 1 4 ? 14.595 9.691 -3.001 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 3 -ATOM 3206 C CE . MET A 1 4 ? 14.750 8.767 -4.530 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 3 -ATOM 3207 H H . MET A 1 4 ? 11.844 13.772 -0.913 1.00 0.00 ? ? ? ? ? ? 1 MET A H 3 -ATOM 3208 H HA . MET A 1 4 ? 12.549 13.614 -3.753 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 3 -ATOM 3209 H HB2 . MET A 1 4 ? 14.193 12.508 -2.181 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 3 -ATOM 3210 H HB3 . MET A 1 4 ? 12.850 11.548 -1.572 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 3 -ATOM 3211 H HG2 . MET A 1 4 ? 12.542 10.587 -3.814 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 3 -ATOM 3212 H HG3 . MET A 1 4 ? 13.928 11.519 -4.381 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 3 -ATOM 3213 H HE1 . MET A 1 4 ? 15.395 7.916 -4.374 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 3 -ATOM 3214 H HE2 . MET A 1 4 ? 15.170 9.401 -5.296 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 3 -ATOM 3215 H HE3 . MET A 1 4 ? 13.774 8.426 -4.843 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 3 -ATOM 3216 N N . ALA A 1 5 ? 10.477 12.297 -4.144 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 3 -ATOM 3217 C CA . ALA A 1 5 ? 9.206 11.670 -4.399 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 3 -ATOM 3218 C C . ALA A 1 5 ? 9.470 10.342 -5.055 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 3 -ATOM 3219 O O . ALA A 1 5 ? 10.590 10.084 -5.508 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 3 -ATOM 3220 C CB . ALA A 1 5 ? 8.319 12.536 -5.278 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 3 -ATOM 3221 H H . ALA A 1 5 ? 11.078 12.481 -4.900 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 3 -ATOM 3222 H HA . ALA A 1 5 ? 8.721 11.504 -3.448 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 3 -ATOM 3223 H HB1 . ALA A 1 5 ? 7.376 12.030 -5.424 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 3 -ATOM 3224 H HB2 . ALA A 1 5 ? 8.798 12.696 -6.232 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 3 -ATOM 3225 H HB3 . ALA A 1 5 ? 8.145 13.484 -4.789 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 3 -ATOM 3226 N N . TYR A 1 6 ? 8.485 9.503 -5.103 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 3 -ATOM 3227 C CA . TYR A 1 6 ? 8.647 8.178 -5.655 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 3 -ATOM 3228 C C . TYR A 1 6 ? 7.494 7.881 -6.569 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 3 -ATOM 3229 O O . TYR A 1 6 ? 6.500 8.620 -6.579 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 3 -ATOM 3230 C CB . TYR A 1 6 ? 8.692 7.122 -4.528 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 3 -ATOM 3231 C CG . TYR A 1 6 ? 9.844 7.280 -3.557 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 3 -ATOM 3232 C CD1 . TYR A 1 6 ? 9.771 8.185 -2.509 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 3 -ATOM 3233 C CD2 . TYR A 1 6 ? 11.008 6.538 -3.699 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 3 -ATOM 3234 C CE1 . TYR A 1 6 ? 10.814 8.349 -1.633 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 3 -ATOM 3235 C CE2 . TYR A 1 6 ? 12.064 6.699 -2.822 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 3 -ATOM 3236 C CZ . TYR A 1 6 ? 11.957 7.610 -1.790 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 3 -ATOM 3237 O OH . TYR A 1 6 ? 12.995 7.780 -0.907 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 3 -ATOM 3238 H H . TYR A 1 6 ? 7.597 9.768 -4.781 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 3 -ATOM 3239 H HA . TYR A 1 6 ? 9.575 8.142 -6.207 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 3 -ATOM 3240 H HB2 . TYR A 1 6 ? 7.779 7.188 -3.955 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 3 -ATOM 3241 H HB3 . TYR A 1 6 ? 8.757 6.139 -4.971 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 3 -ATOM 3242 H HD1 . TYR A 1 6 ? 8.870 8.767 -2.383 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 3 -ATOM 3243 H HD2 . TYR A 1 6 ? 11.079 5.826 -4.508 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 3 -ATOM 3244 H HE1 . TYR A 1 6 ? 10.733 9.061 -0.826 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 3 -ATOM 3245 H HE2 . TYR A 1 6 ? 12.963 6.115 -2.945 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 3 -ATOM 3246 H HH . TYR A 1 6 ? 13.798 7.953 -1.414 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 3 -ATOM 3247 N N . PHE A 1 7 ? 7.622 6.839 -7.338 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 3 -ATOM 3248 C CA . PHE A 1 7 ? 6.543 6.390 -8.176 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 3 -ATOM 3249 C C . PHE A 1 7 ? 5.601 5.570 -7.322 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 3 -ATOM 3250 O O . PHE A 1 7 ? 5.996 5.079 -6.278 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 3 -ATOM 3251 C CB . PHE A 1 7 ? 7.072 5.535 -9.336 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 3 -ATOM 3252 C CG . PHE A 1 7 ? 7.967 6.265 -10.290 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 3 -ATOM 3253 C CD1 . PHE A 1 7 ? 7.438 7.159 -11.203 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 3 -ATOM 3254 C CD2 . PHE A 1 7 ? 9.335 6.056 -10.276 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 3 -ATOM 3255 C CE1 . PHE A 1 7 ? 8.255 7.833 -12.083 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 3 -ATOM 3256 C CE2 . PHE A 1 7 ? 10.158 6.726 -11.155 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 3 -ATOM 3257 C CZ . PHE A 1 7 ? 9.617 7.615 -12.060 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 3 -ATOM 3258 H H . PHE A 1 7 ? 8.472 6.343 -7.336 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 3 -ATOM 3259 H HA . PHE A 1 7 ? 6.028 7.253 -8.564 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 3 -ATOM 3260 H HB2 . PHE A 1 7 ? 7.652 4.726 -8.919 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 3 -ATOM 3261 H HB3 . PHE A 1 7 ? 6.247 5.115 -9.892 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 3 -ATOM 3262 H HD1 . PHE A 1 7 ? 6.372 7.329 -11.220 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 3 -ATOM 3263 H HD2 . PHE A 1 7 ? 9.758 5.359 -9.567 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 3 -ATOM 3264 H HE1 . PHE A 1 7 ? 7.831 8.528 -12.793 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 3 -ATOM 3265 H HE2 . PHE A 1 7 ? 11.224 6.555 -11.134 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 3 -ATOM 3266 H HZ . PHE A 1 7 ? 10.258 8.140 -12.752 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 3 -ATOM 3267 N N . LEU A 1 8 ? 4.382 5.441 -7.729 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 3 -ATOM 3268 C CA . LEU A 1 8 ? 3.428 4.641 -6.991 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 3 -ATOM 3269 C C . LEU A 1 8 ? 2.851 3.635 -7.960 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 3 -ATOM 3270 O O . LEU A 1 8 ? 2.315 4.022 -9.003 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 3 -ATOM 3271 C CB . LEU A 1 8 ? 2.316 5.558 -6.403 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 3 -ATOM 3272 C CG . LEU A 1 8 ? 1.372 4.989 -5.293 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 3 -ATOM 3273 C CD1 . LEU A 1 8 ? 0.517 3.825 -5.761 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 3 -ATOM 3274 C CD2 . LEU A 1 8 ? 2.155 4.604 -4.053 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 3 -ATOM 3275 H H . LEU A 1 8 ? 4.089 5.886 -8.552 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 3 -ATOM 3276 H HA . LEU A 1 8 ? 3.946 4.129 -6.193 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 3 -ATOM 3277 H HB2 . LEU A 1 8 ? 2.807 6.426 -5.992 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 3 -ATOM 3278 H HB3 . LEU A 1 8 ? 1.700 5.887 -7.228 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 3 -ATOM 3279 H HG . LEU A 1 8 ? 0.689 5.777 -5.011 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 3 -ATOM 3280 H HD11 . LEU A 1 8 ? -0.155 4.154 -6.540 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 3 -ATOM 3281 H HD12 . LEU A 1 8 ? -0.041 3.432 -4.924 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 3 -ATOM 3282 H HD13 . LEU A 1 8 ? 1.163 3.049 -6.146 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 3 -ATOM 3283 H HD21 . LEU A 1 8 ? 2.893 3.857 -4.309 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 3 -ATOM 3284 H HD22 . LEU A 1 8 ? 1.479 4.197 -3.316 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 3 -ATOM 3285 H HD23 . LEU A 1 8 ? 2.647 5.474 -3.646 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 3 -ATOM 3286 N N . ASP A 1 9 ? 2.973 2.368 -7.658 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 3 -ATOM 3287 C CA . ASP A 1 9 ? 2.436 1.352 -8.533 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 3 -ATOM 3288 C C . ASP A 1 9 ? 1.814 0.241 -7.695 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 3 -ATOM 3289 O O . ASP A 1 9 ? 1.999 0.213 -6.479 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 3 -ATOM 3290 C CB . ASP A 1 9 ? 3.511 0.824 -9.492 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 3 -ATOM 3291 C CG . ASP A 1 9 ? 2.910 0.263 -10.757 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 3 -ATOM 3292 O OD1 . ASP A 1 9 ? 2.708 1.038 -11.730 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 3 -ATOM 3293 O OD2 . ASP A 1 9 ? 2.595 -0.925 -10.805 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 3 -ATOM 3294 H H . ASP A 1 9 ? 3.422 2.090 -6.824 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 3 -ATOM 3295 H HA . ASP A 1 9 ? 1.641 1.811 -9.100 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 3 -ATOM 3296 H HB2 . ASP A 1 9 ? 4.176 1.632 -9.758 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 3 -ATOM 3297 H HB3 . ASP A 1 9 ? 4.074 0.044 -9.000 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 3 -ATOM 3298 N N . PHE A 1 10 ? 1.092 -0.657 -8.317 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 3 -ATOM 3299 C CA . PHE A 1 10 ? 0.335 -1.675 -7.599 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 3 -ATOM 3300 C C . PHE A 1 10 ? 0.634 -3.044 -8.177 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 3 -ATOM 3301 O O . PHE A 1 10 ? 0.889 -3.164 -9.383 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 3 -ATOM 3302 C CB . PHE A 1 10 ? -1.187 -1.450 -7.778 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 3 -ATOM 3303 C CG . PHE A 1 10 ? -1.757 -0.123 -7.331 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 3 -ATOM 3304 C CD1 . PHE A 1 10 ? -1.661 1.001 -8.138 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 3 -ATOM 3305 C CD2 . PHE A 1 10 ? -2.422 -0.014 -6.124 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 3 -ATOM 3306 C CE1 . PHE A 1 10 ? -2.206 2.205 -7.746 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 3 -ATOM 3307 C CE2 . PHE A 1 10 ? -2.975 1.187 -5.726 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 3 -ATOM 3308 C CZ . PHE A 1 10 ? -2.867 2.296 -6.537 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 3 -ATOM 3309 H H . PHE A 1 10 ? 1.108 -0.693 -9.299 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 3 -ATOM 3310 H HA . PHE A 1 10 ? 0.571 -1.638 -6.548 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 3 -ATOM 3311 H HB2 . PHE A 1 10 ? -1.413 -1.538 -8.830 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 3 -ATOM 3312 H HB3 . PHE A 1 10 ? -1.711 -2.234 -7.253 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 3 -ATOM 3313 H HD1 . PHE A 1 10 ? -1.142 0.930 -9.084 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 3 -ATOM 3314 H HD2 . PHE A 1 10 ? -2.504 -0.881 -5.485 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 3 -ATOM 3315 H HE1 . PHE A 1 10 ? -2.119 3.072 -8.383 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 3 -ATOM 3316 H HE2 . PHE A 1 10 ? -3.492 1.257 -4.780 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 3 -ATOM 3317 H HZ . PHE A 1 10 ? -3.297 3.238 -6.228 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 3 -ATOM 3318 N N . ASP A 1 11 ? 0.604 -4.071 -7.342 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 3 -ATOM 3319 C CA . ASP A 1 11 ? 0.669 -5.450 -7.842 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 3 -ATOM 3320 C C . ASP A 1 11 ? -0.601 -5.708 -8.646 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 3 -ATOM 3321 O O . ASP A 1 11 ? -1.624 -5.042 -8.412 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 3 -ATOM 3322 C CB . ASP A 1 11 ? 0.770 -6.474 -6.684 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 3 -ATOM 3323 C CG . ASP A 1 11 ? 0.871 -7.915 -7.183 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 3 -ATOM 3324 O OD1 . ASP A 1 11 ? 2.003 -8.376 -7.498 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 3 -ATOM 3325 O OD2 . ASP A 1 11 ? -0.167 -8.593 -7.306 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 3 -ATOM 3326 H H . ASP A 1 11 ? 0.560 -3.913 -6.372 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 3 -ATOM 3327 H HA . ASP A 1 11 ? 1.529 -5.532 -8.491 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 3 -ATOM 3328 H HB2 . ASP A 1 11 ? 1.644 -6.258 -6.089 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 3 -ATOM 3329 H HB3 . ASP A 1 11 ? -0.109 -6.388 -6.063 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 3 -ATOM 3330 N N . GLU A 1 12 ? -0.558 -6.628 -9.585 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 3 -ATOM 3331 C CA . GLU A 1 12 ? -1.715 -6.902 -10.412 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 3 -ATOM 3332 C C . GLU A 1 12 ? -2.912 -7.394 -9.565 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 3 -ATOM 3333 O O . GLU A 1 12 ? -4.065 -7.069 -9.861 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 3 -ATOM 3334 C CB . GLU A 1 12 ? -1.347 -7.835 -11.584 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 3 -ATOM 3335 C CG . GLU A 1 12 ? -0.932 -9.256 -11.217 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 3 -ATOM 3336 C CD . GLU A 1 12 ? -2.051 -10.240 -11.442 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 3 -ATOM 3337 O OE1 . GLU A 1 12 ? -2.307 -10.590 -12.617 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 3 -ATOM 3338 O OE2 . GLU A 1 12 ? -2.692 -10.687 -10.479 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 3 -ATOM 3339 H H . GLU A 1 12 ? 0.271 -7.136 -9.720 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 3 -ATOM 3340 H HA . GLU A 1 12 ? -2.008 -5.941 -10.811 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 3 -ATOM 3341 H HB2 . GLU A 1 12 ? -2.200 -7.908 -12.241 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 3 -ATOM 3342 H HB3 . GLU A 1 12 ? -0.535 -7.378 -12.131 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 3 -ATOM 3343 H HG2 . GLU A 1 12 ? -0.086 -9.546 -11.821 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 3 -ATOM 3344 H HG3 . GLU A 1 12 ? -0.657 -9.274 -10.172 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 3 -ATOM 3345 N N . ARG A 1 13 ? -2.627 -8.114 -8.474 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 3 -ATOM 3346 C CA . ARG A 1 13 ? -3.675 -8.540 -7.560 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 3 -ATOM 3347 C C . ARG A 1 13 ? -4.192 -7.381 -6.754 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 3 -ATOM 3348 O O . ARG A 1 13 ? -5.383 -7.322 -6.424 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 3 -ATOM 3349 C CB . ARG A 1 13 ? -3.238 -9.661 -6.645 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 3 -ATOM 3350 C CG . ARG A 1 13 ? -3.105 -10.998 -7.326 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 3 -ATOM 3351 C CD . ARG A 1 13 ? -2.803 -12.074 -6.316 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 3 -ATOM 3352 N NE . ARG A 1 13 ? -3.888 -12.189 -5.326 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 3 -ATOM 3353 C CZ . ARG A 1 13 ? -3.706 -12.428 -4.030 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 3 -ATOM 3354 N NH1 . ARG A 1 13 ? -2.502 -12.720 -3.577 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 3 -ATOM 3355 N NH2 . ARG A 1 13 ? -4.735 -12.398 -3.191 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 3 -ATOM 3356 H H . ARG A 1 13 ? -1.688 -8.348 -8.272 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 3 -ATOM 3357 H HA . ARG A 1 13 ? -4.492 -8.888 -8.169 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 3 -ATOM 3358 H HB2 . ARG A 1 13 ? -2.274 -9.403 -6.231 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 3 -ATOM 3359 H HB3 . ARG A 1 13 ? -3.945 -9.756 -5.835 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 3 -ATOM 3360 H HG2 . ARG A 1 13 ? -4.034 -11.229 -7.826 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 3 -ATOM 3361 H HG3 . ARG A 1 13 ? -2.304 -10.943 -8.047 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 3 -ATOM 3362 H HD2 . ARG A 1 13 ? -2.663 -13.018 -6.822 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 3 -ATOM 3363 H HD3 . ARG A 1 13 ? -1.898 -11.783 -5.805 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 3 -ATOM 3364 H HE . ARG A 1 13 ? -4.789 -12.028 -5.689 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 3 -ATOM 3365 H HH11 . ARG A 1 13 ? -1.698 -12.786 -4.174 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 3 -ATOM 3366 H HH12 . ARG A 1 13 ? -2.329 -12.866 -2.591 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 3 -ATOM 3367 H HH21 . ARG A 1 13 ? -5.672 -12.207 -3.487 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 3 -ATOM 3368 H HH22 . ARG A 1 13 ? -4.593 -12.534 -2.197 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 3 -ATOM 3369 N N . ALA A 1 14 ? -3.302 -6.463 -6.437 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 3 -ATOM 3370 C CA . ALA A 1 14 ? -3.667 -5.266 -5.714 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 3 -ATOM 3371 C C . ALA A 1 14 ? -4.613 -4.407 -6.554 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 3 -ATOM 3372 O O . ALA A 1 14 ? -5.526 -3.813 -6.018 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 3 -ATOM 3373 C CB . ALA A 1 14 ? -2.432 -4.478 -5.288 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 3 -ATOM 3374 H H . ALA A 1 14 ? -2.370 -6.611 -6.707 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 3 -ATOM 3375 H HA . ALA A 1 14 ? -4.200 -5.583 -4.829 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 3 -ATOM 3376 H HB1 . ALA A 1 14 ? -1.887 -4.156 -6.162 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 3 -ATOM 3377 H HB2 . ALA A 1 14 ? -1.795 -5.101 -4.677 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 3 -ATOM 3378 H HB3 . ALA A 1 14 ? -2.733 -3.612 -4.716 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 3 -ATOM 3379 N N . LEU A 1 15 ? -4.414 -4.396 -7.879 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 3 -ATOM 3380 C CA . LEU A 1 15 ? -5.279 -3.648 -8.790 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 3 -ATOM 3381 C C . LEU A 1 15 ? -6.665 -4.238 -8.822 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 3 -ATOM 3382 O O . LEU A 1 15 ? -7.665 -3.512 -8.776 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 3 -ATOM 3383 C CB . LEU A 1 15 ? -4.709 -3.623 -10.204 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 3 -ATOM 3384 C CG . LEU A 1 15 ? -3.537 -2.688 -10.462 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 3 -ATOM 3385 C CD1 . LEU A 1 15 ? -3.027 -2.881 -11.879 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 3 -ATOM 3386 C CD2 . LEU A 1 15 ? -3.966 -1.233 -10.255 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 3 -ATOM 3387 H H . LEU A 1 15 ? -3.667 -4.906 -8.260 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 3 -ATOM 3388 H HA . LEU A 1 15 ? -5.345 -2.635 -8.425 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 3 -ATOM 3389 H HB2 . LEU A 1 15 ? -4.392 -4.626 -10.448 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 3 -ATOM 3390 H HB3 . LEU A 1 15 ? -5.512 -3.354 -10.870 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 3 -ATOM 3391 H HG . LEU A 1 15 ? -2.738 -2.911 -9.771 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 3 -ATOM 3392 H HD11 . LEU A 1 15 ? -2.681 -3.896 -12.003 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 3 -ATOM 3393 H HD12 . LEU A 1 15 ? -2.217 -2.193 -12.071 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 3 -ATOM 3394 H HD13 . LEU A 1 15 ? -3.830 -2.690 -12.576 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 3 -ATOM 3395 H HD21 . LEU A 1 15 ? -3.130 -0.580 -10.457 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 3 -ATOM 3396 H HD22 . LEU A 1 15 ? -4.294 -1.081 -9.237 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 3 -ATOM 3397 H HD23 . LEU A 1 15 ? -4.776 -0.992 -10.926 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 3 -ATOM 3398 N N . LYS A 1 16 ? -6.718 -5.554 -8.882 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 3 -ATOM 3399 C CA . LYS A 1 16 ? -7.974 -6.277 -8.903 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 3 -ATOM 3400 C C . LYS A 1 16 ? -8.781 -5.969 -7.649 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 3 -ATOM 3401 O O . LYS A 1 16 ? -9.978 -5.684 -7.732 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 3 -ATOM 3402 C CB . LYS A 1 16 ? -7.699 -7.771 -8.994 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 3 -ATOM 3403 C CG . LYS A 1 16 ? -7.041 -8.211 -10.290 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 3 -ATOM 3404 C CD . LYS A 1 16 ? -6.492 -9.612 -10.148 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 3 -ATOM 3405 C CE . LYS A 1 16 ? -5.889 -10.130 -11.435 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 3 -ATOM 3406 N NZ . LYS A 1 16 ? -5.170 -11.407 -11.223 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 3 -ATOM 3407 H H . LYS A 1 16 ? -5.872 -6.048 -8.930 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 3 -ATOM 3408 H HA . LYS A 1 16 ? -8.532 -5.970 -9.775 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 3 -ATOM 3409 H HB2 . LYS A 1 16 ? -7.053 -8.055 -8.176 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 3 -ATOM 3410 H HB3 . LYS A 1 16 ? -8.637 -8.297 -8.899 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 3 -ATOM 3411 H HG2 . LYS A 1 16 ? -7.771 -8.190 -11.085 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 3 -ATOM 3412 H HG3 . LYS A 1 16 ? -6.230 -7.534 -10.518 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 3 -ATOM 3413 H HD2 . LYS A 1 16 ? -5.719 -9.591 -9.396 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 3 -ATOM 3414 H HD3 . LYS A 1 16 ? -7.291 -10.268 -9.835 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 3 -ATOM 3415 H HE2 . LYS A 1 16 ? -6.678 -10.282 -12.156 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 3 -ATOM 3416 H HE3 . LYS A 1 16 ? -5.195 -9.392 -11.806 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 3 -ATOM 3417 H HZ1 . LYS A 1 16 ? -5.724 -12.090 -10.666 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 3 -ATOM 3418 H HZ2 . LYS A 1 16 ? -4.251 -11.236 -10.752 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 3 -ATOM 3419 H HZ3 . LYS A 1 16 ? -4.936 -11.851 -12.132 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 3 -ATOM 3420 N N . GLU A 1 17 ? -8.108 -5.979 -6.498 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 3 -ATOM 3421 C CA . GLU A 1 17 ? -8.731 -5.641 -5.242 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 3 -ATOM 3422 C C . GLU A 1 17 ? -9.083 -4.165 -5.150 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 3 -ATOM 3423 O O . GLU A 1 17 ? -10.113 -3.818 -4.636 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 3 -ATOM 3424 C CB . GLU A 1 17 ? -7.867 -6.078 -4.086 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 3 -ATOM 3425 C CG . GLU A 1 17 ? -7.751 -7.578 -4.005 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 3 -ATOM 3426 C CD . GLU A 1 17 ? -9.090 -8.242 -3.737 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 3 -ATOM 3427 O OE1 . GLU A 1 17 ? -9.470 -8.416 -2.552 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 3 -ATOM 3428 O OE2 . GLU A 1 17 ? -9.783 -8.605 -4.693 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 3 -ATOM 3429 H H . GLU A 1 17 ? -7.164 -6.254 -6.471 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 3 -ATOM 3430 H HA . GLU A 1 17 ? -9.644 -6.214 -5.207 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 3 -ATOM 3431 H HB2 . GLU A 1 17 ? -6.880 -5.658 -4.205 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 3 -ATOM 3432 H HB3 . GLU A 1 17 ? -8.303 -5.721 -3.165 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 3 -ATOM 3433 H HG2 . GLU A 1 17 ? -7.387 -7.917 -4.964 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 3 -ATOM 3434 H HG3 . GLU A 1 17 ? -7.035 -7.845 -3.248 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 3 -ATOM 3435 N N . TRP A 1 18 ? -8.236 -3.321 -5.679 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 3 -ATOM 3436 C CA . TRP A 1 18 ? -8.445 -1.870 -5.692 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 3 -ATOM 3437 C C . TRP A 1 18 ? -9.735 -1.527 -6.461 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 3 -ATOM 3438 O O . TRP A 1 18 ? -10.546 -0.690 -6.033 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 3 -ATOM 3439 C CB . TRP A 1 18 ? -7.212 -1.213 -6.338 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 3 -ATOM 3440 C CG . TRP A 1 18 ? -7.252 0.270 -6.474 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 3 -ATOM 3441 C CD1 . TRP A 1 18 ? -7.579 0.969 -7.590 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 3 -ATOM 3442 C CD2 . TRP A 1 18 ? -6.922 1.236 -5.476 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 3 -ATOM 3443 N NE1 . TRP A 1 18 ? -7.499 2.313 -7.347 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 3 -ATOM 3444 C CE2 . TRP A 1 18 ? -7.091 2.506 -6.057 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 3 -ATOM 3445 C CE3 . TRP A 1 18 ? -6.508 1.152 -4.148 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 3 -ATOM 3446 C CZ2 . TRP A 1 18 ? -6.857 3.679 -5.356 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 3 -ATOM 3447 C CZ3 . TRP A 1 18 ? -6.275 2.318 -3.456 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 3 -ATOM 3448 C CH2 . TRP A 1 18 ? -6.449 3.564 -4.058 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 3 -ATOM 3449 H H . TRP A 1 18 ? -7.404 -3.669 -6.071 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 3 -ATOM 3450 H HA . TRP A 1 18 ? -8.539 -1.529 -4.669 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 3 -ATOM 3451 H HB2 . TRP A 1 18 ? -6.342 -1.456 -5.745 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 3 -ATOM 3452 H HB3 . TRP A 1 18 ? -7.079 -1.636 -7.322 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 3 -ATOM 3453 H HD1 . TRP A 1 18 ? -7.869 0.506 -8.521 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 3 -ATOM 3454 H HE1 . TRP A 1 18 ? -7.699 3.015 -8.002 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 3 -ATOM 3455 H HE3 . TRP A 1 18 ? -6.367 0.196 -3.666 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 3 -ATOM 3456 H HZ2 . TRP A 1 18 ? -6.988 4.650 -5.811 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 3 -ATOM 3457 H HZ3 . TRP A 1 18 ? -5.952 2.278 -2.426 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 3 -ATOM 3458 H HH2 . TRP A 1 18 ? -6.252 4.451 -3.473 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 3 -ATOM 3459 N N . ARG A 1 19 ? -9.930 -2.193 -7.575 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 3 -ATOM 3460 C CA . ARG A 1 19 ? -11.129 -2.022 -8.380 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 3 -ATOM 3461 C C . ARG A 1 19 ? -12.335 -2.714 -7.729 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 3 -ATOM 3462 O O . ARG A 1 19 ? -13.479 -2.338 -7.956 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 3 -ATOM 3463 C CB . ARG A 1 19 ? -10.884 -2.526 -9.793 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 3 -ATOM 3464 C CG . ARG A 1 19 ? -9.849 -1.702 -10.536 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 3 -ATOM 3465 C CD . ARG A 1 19 ? -9.541 -2.269 -11.904 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 3 -ATOM 3466 N NE . ARG A 1 19 ? -8.609 -1.405 -12.643 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 3 -ATOM 3467 C CZ . ARG A 1 19 ? -8.074 -1.686 -13.832 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 3 -ATOM 3468 N NH1 . ARG A 1 19 ? -8.211 -2.894 -14.355 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 3 -ATOM 3469 N NH2 . ARG A 1 19 ? -7.347 -0.774 -14.469 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 3 -ATOM 3470 H H . ARG A 1 19 ? -9.225 -2.809 -7.877 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 3 -ATOM 3471 H HA . ARG A 1 19 ? -11.332 -0.962 -8.417 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 3 -ATOM 3472 H HB2 . ARG A 1 19 ? -10.543 -3.550 -9.747 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 3 -ATOM 3473 H HB3 . ARG A 1 19 ? -11.814 -2.484 -10.341 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 3 -ATOM 3474 H HG2 . ARG A 1 19 ? -10.223 -0.695 -10.656 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 3 -ATOM 3475 H HG3 . ARG A 1 19 ? -8.942 -1.677 -9.953 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 3 -ATOM 3476 H HD2 . ARG A 1 19 ? -9.093 -3.244 -11.781 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 3 -ATOM 3477 H HD3 . ARG A 1 19 ? -10.458 -2.359 -12.467 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 3 -ATOM 3478 H HE . ARG A 1 19 ? -8.425 -0.542 -12.201 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 3 -ATOM 3479 H HH11 . ARG A 1 19 ? -8.700 -3.630 -13.882 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 3 -ATOM 3480 H HH12 . ARG A 1 19 ? -7.828 -3.128 -15.252 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 3 -ATOM 3481 H HH21 . ARG A 1 19 ? -7.177 0.137 -14.083 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 3 -ATOM 3482 H HH22 . ARG A 1 19 ? -6.946 -0.976 -15.368 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 3 -ATOM 3483 N N . LYS A 1 20 ? -12.050 -3.698 -6.913 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 3 -ATOM 3484 C CA . LYS A 1 20 ? -13.043 -4.451 -6.150 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 3 -ATOM 3485 C C . LYS A 1 20 ? -13.512 -3.660 -4.914 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 3 -ATOM 3486 O O . LYS A 1 20 ? -14.655 -3.816 -4.455 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 3 -ATOM 3487 C CB . LYS A 1 20 ? -12.436 -5.854 -5.828 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 3 -ATOM 3488 C CG . LYS A 1 20 ? -12.958 -6.647 -4.625 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 3 -ATOM 3489 C CD . LYS A 1 20 ? -12.346 -6.156 -3.312 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 3 -ATOM 3490 C CE . LYS A 1 20 ? -12.753 -7.015 -2.133 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 3 -ATOM 3491 N NZ . LYS A 1 20 ? -12.271 -8.413 -2.263 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 3 -ATOM 3492 H H . LYS A 1 20 ? -11.105 -3.945 -6.818 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 3 -ATOM 3493 H HA . LYS A 1 20 ? -13.900 -4.586 -6.795 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 3 -ATOM 3494 H HB2 . LYS A 1 20 ? -12.570 -6.480 -6.695 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 3 -ATOM 3495 H HB3 . LYS A 1 20 ? -11.376 -5.703 -5.701 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 3 -ATOM 3496 H HG2 . LYS A 1 20 ? -14.030 -6.543 -4.573 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 3 -ATOM 3497 H HG3 . LYS A 1 20 ? -12.702 -7.686 -4.763 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 3 -ATOM 3498 H HD2 . LYS A 1 20 ? -11.270 -6.180 -3.397 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 3 -ATOM 3499 H HD3 . LYS A 1 20 ? -12.672 -5.140 -3.140 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 3 -ATOM 3500 H HE2 . LYS A 1 20 ? -12.343 -6.584 -1.232 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 3 -ATOM 3501 H HE3 . LYS A 1 20 ? -13.831 -7.017 -2.071 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 3 -ATOM 3502 H HZ1 . LYS A 1 20 ? -12.711 -8.876 -3.083 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 3 -ATOM 3503 H HZ2 . LYS A 1 20 ? -12.564 -8.957 -1.424 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 3 -ATOM 3504 H HZ3 . LYS A 1 20 ? -11.232 -8.452 -2.362 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 3 -ATOM 3505 N N . LEU A 1 21 ? -12.626 -2.830 -4.389 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 3 -ATOM 3506 C CA . LEU A 1 21 ? -12.909 -1.953 -3.258 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 3 -ATOM 3507 C C . LEU A 1 21 ? -13.977 -0.937 -3.603 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 3 -ATOM 3508 O O . LEU A 1 21 ? -14.245 -0.662 -4.786 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 3 -ATOM 3509 C CB . LEU A 1 21 ? -11.641 -1.206 -2.812 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 3 -ATOM 3510 C CG . LEU A 1 21 ? -10.944 -1.677 -1.525 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 3 -ATOM 3511 C CD1 . LEU A 1 21 ? -10.514 -3.128 -1.600 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 3 -ATOM 3512 C CD2 . LEU A 1 21 ? -9.760 -0.785 -1.239 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 3 -ATOM 3513 H H . LEU A 1 21 ? -11.720 -2.824 -4.770 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 3 -ATOM 3514 H HA . LEU A 1 21 ? -13.252 -2.561 -2.435 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 3 -ATOM 3515 H HB2 . LEU A 1 21 ? -10.926 -1.268 -3.617 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 3 -ATOM 3516 H HB3 . LEU A 1 21 ? -11.904 -0.166 -2.689 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 3 -ATOM 3517 H HG . LEU A 1 21 ? -11.621 -1.587 -0.691 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 3 -ATOM 3518 H HD11 . LEU A 1 21 ? -9.828 -3.257 -2.424 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 3 -ATOM 3519 H HD12 . LEU A 1 21 ? -11.386 -3.747 -1.750 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 3 -ATOM 3520 H HD13 . LEU A 1 21 ? -10.027 -3.404 -0.677 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 3 -ATOM 3521 H HD21 . LEU A 1 21 ? -9.268 -1.111 -0.335 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 3 -ATOM 3522 H HD22 . LEU A 1 21 ? -10.110 0.230 -1.116 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 3 -ATOM 3523 H HD23 . LEU A 1 21 ? -9.068 -0.827 -2.067 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 3 -ATOM 3524 N N . GLY A 1 22 ? -14.563 -0.379 -2.588 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 3 -ATOM 3525 C CA . GLY A 1 22 ? -15.569 0.609 -2.769 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 3 -ATOM 3526 C C . GLY A 1 22 ? -14.952 1.905 -3.185 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 3 -ATOM 3527 O O . GLY A 1 22 ? -13.842 2.237 -2.731 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 3 -ATOM 3528 H H . GLY A 1 22 ? -14.286 -0.627 -1.681 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 3 -ATOM 3529 H HA2 . GLY A 1 22 ? -16.260 0.279 -3.529 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 3 -ATOM 3530 H HA3 . GLY A 1 22 ? -16.093 0.755 -1.836 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 3 -ATOM 3531 N N . SER A 1 23 ? -15.655 2.635 -4.022 1.00 0.00 ? ? ? ? ? ? 20 SER A N 3 -ATOM 3532 C CA . SER A 1 23 ? -15.200 3.894 -4.587 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 3 -ATOM 3533 C C . SER A 1 23 ? -14.728 4.855 -3.494 1.00 0.00 ? ? ? ? ? ? 20 SER A C 3 -ATOM 3534 O O . SER A 1 23 ? -13.643 5.405 -3.567 1.00 0.00 ? ? ? ? ? ? 20 SER A O 3 -ATOM 3535 C CB . SER A 1 23 ? -16.360 4.506 -5.346 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 3 -ATOM 3536 O OG . SER A 1 23 ? -16.920 3.560 -6.252 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 3 -ATOM 3537 H H . SER A 1 23 ? -16.548 2.326 -4.291 1.00 0.00 ? ? ? ? ? ? 20 SER A H 3 -ATOM 3538 H HA . SER A 1 23 ? -14.399 3.698 -5.284 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 3 -ATOM 3539 H HB2 . SER A 1 23 ? -17.123 4.808 -4.642 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 3 -ATOM 3540 H HB3 . SER A 1 23 ? -16.025 5.369 -5.901 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 3 -ATOM 3541 H HG . SER A 1 23 ? -17.492 4.082 -6.830 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 3 -ATOM 3542 N N . THR A 1 24 ? -15.529 4.964 -2.466 1.00 0.00 ? ? ? ? ? ? 21 THR A N 3 -ATOM 3543 C CA . THR A 1 24 ? -15.292 5.842 -1.349 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 3 -ATOM 3544 C C . THR A 1 24 ? -13.997 5.440 -0.624 1.00 0.00 ? ? ? ? ? ? 21 THR A C 3 -ATOM 3545 O O . THR A 1 24 ? -13.126 6.269 -0.376 1.00 0.00 ? ? ? ? ? ? 21 THR A O 3 -ATOM 3546 C CB . THR A 1 24 ? -16.471 5.702 -0.376 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 3 -ATOM 3547 O OG1 . THR A 1 24 ? -17.697 5.680 -1.133 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 3 -ATOM 3548 C CG2 . THR A 1 24 ? -16.516 6.851 0.618 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 3 -ATOM 3549 H H . THR A 1 24 ? -16.338 4.416 -2.453 1.00 0.00 ? ? ? ? ? ? 21 THR A H 3 -ATOM 3550 H HA . THR A 1 24 ? -15.243 6.865 -1.687 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 3 -ATOM 3551 H HB . THR A 1 24 ? -16.353 4.768 0.152 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 3 -ATOM 3552 H HG1 . THR A 1 24 ? -17.991 6.591 -1.259 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 3 -ATOM 3553 H HG21 . THR A 1 24 ? -17.348 6.710 1.291 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 3 -ATOM 3554 H HG22 . THR A 1 24 ? -16.643 7.780 0.083 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 3 -ATOM 3555 H HG23 . THR A 1 24 ? -15.595 6.878 1.181 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 3 -ATOM 3556 N N . VAL A 1 25 ? -13.860 4.146 -0.378 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 3 -ATOM 3557 C CA . VAL A 1 25 ? -12.745 3.612 0.379 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 3 -ATOM 3558 C C . VAL A 1 25 ? -11.443 3.812 -0.371 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 3 -ATOM 3559 O O . VAL A 1 25 ? -10.464 4.322 0.187 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 3 -ATOM 3560 C CB . VAL A 1 25 ? -12.961 2.105 0.699 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 3 -ATOM 3561 C CG1 . VAL A 1 25 ? -11.753 1.507 1.403 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 3 -ATOM 3562 C CG2 . VAL A 1 25 ? -14.205 1.927 1.557 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 3 -ATOM 3563 H H . VAL A 1 25 ? -14.514 3.524 -0.756 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 3 -ATOM 3564 H HA . VAL A 1 25 ? -12.692 4.155 1.311 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 3 -ATOM 3565 H HB . VAL A 1 25 ? -13.115 1.577 -0.231 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 3 -ATOM 3566 H HG11 . VAL A 1 25 ? -11.585 2.029 2.333 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 3 -ATOM 3567 H HG12 . VAL A 1 25 ? -10.883 1.608 0.772 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 3 -ATOM 3568 H HG13 . VAL A 1 25 ? -11.931 0.461 1.605 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 3 -ATOM 3569 H HG21 . VAL A 1 25 ? -15.071 2.274 1.013 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 3 -ATOM 3570 H HG22 . VAL A 1 25 ? -14.095 2.503 2.463 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 3 -ATOM 3571 H HG23 . VAL A 1 25 ? -14.328 0.885 1.813 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 3 -ATOM 3572 N N . ARG A 1 26 ? -11.447 3.475 -1.644 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 3 -ATOM 3573 C CA . ARG A 1 26 ? -10.261 3.633 -2.448 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 3 -ATOM 3574 C C . ARG A 1 26 ? -9.896 5.096 -2.647 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 3 -ATOM 3575 O O . ARG A 1 26 ? -8.717 5.428 -2.704 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 3 -ATOM 3576 C CB . ARG A 1 26 ? -10.323 2.889 -3.767 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 3 -ATOM 3577 C CG . ARG A 1 26 ? -11.501 3.224 -4.633 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 3 -ATOM 3578 C CD . ARG A 1 26 ? -11.263 2.722 -6.026 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 3 -ATOM 3579 N NE . ARG A 1 26 ? -12.378 3.029 -6.917 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 3 -ATOM 3580 C CZ . ARG A 1 26 ? -13.075 2.115 -7.612 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 3 -ATOM 3581 N NH1 . ARG A 1 26 ? -12.842 0.803 -7.444 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 3 -ATOM 3582 N NH2 . ARG A 1 26 ? -14.013 2.516 -8.456 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 3 -ATOM 3583 H H . ARG A 1 26 ? -12.274 3.113 -2.033 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 3 -ATOM 3584 H HA . ARG A 1 26 ? -9.465 3.207 -1.854 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 3 -ATOM 3585 H HB2 . ARG A 1 26 ? -9.426 3.108 -4.327 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 3 -ATOM 3586 H HB3 . ARG A 1 26 ? -10.348 1.829 -3.559 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 3 -ATOM 3587 H HG2 . ARG A 1 26 ? -12.348 2.692 -4.222 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 3 -ATOM 3588 H HG3 . ARG A 1 26 ? -11.732 4.279 -4.629 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 3 -ATOM 3589 H HD2 . ARG A 1 26 ? -10.371 3.217 -6.382 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 3 -ATOM 3590 H HD3 . ARG A 1 26 ? -11.098 1.656 -5.994 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 3 -ATOM 3591 H HE . ARG A 1 26 ? -12.569 3.989 -7.008 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 3 -ATOM 3592 H HH11 . ARG A 1 26 ? -12.155 0.440 -6.807 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 3 -ATOM 3593 H HH12 . ARG A 1 26 ? -13.359 0.121 -7.974 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 3 -ATOM 3594 H HH21 . ARG A 1 26 ? -14.236 3.482 -8.613 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 3 -ATOM 3595 H HH22 . ARG A 1 26 ? -14.548 1.865 -8.999 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 3 -ATOM 3596 N N . GLU A 1 27 ? -10.900 5.973 -2.757 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 3 -ATOM 3597 C CA . GLU A 1 27 ? -10.629 7.391 -2.885 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 3 -ATOM 3598 C C . GLU A 1 27 ? -9.860 7.932 -1.700 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 3 -ATOM 3599 O O . GLU A 1 27 ? -8.947 8.727 -1.874 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 3 -ATOM 3600 C CB . GLU A 1 27 ? -11.874 8.221 -3.178 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 3 -ATOM 3601 C CG . GLU A 1 27 ? -12.331 8.116 -4.623 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 3 -ATOM 3602 C CD . GLU A 1 27 ? -13.490 9.022 -4.942 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 3 -ATOM 3603 O OE1 . GLU A 1 27 ? -13.266 10.237 -5.183 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 3 -ATOM 3604 O OE2 . GLU A 1 27 ? -14.646 8.545 -4.955 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 3 -ATOM 3605 H H . GLU A 1 27 ? -11.834 5.664 -2.761 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 3 -ATOM 3606 H HA . GLU A 1 27 ? -9.968 7.460 -3.737 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 3 -ATOM 3607 H HB2 . GLU A 1 27 ? -12.672 7.855 -2.545 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 3 -ATOM 3608 H HB3 . GLU A 1 27 ? -11.679 9.259 -2.952 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 3 -ATOM 3609 H HG2 . GLU A 1 27 ? -11.505 8.379 -5.267 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 3 -ATOM 3610 H HG3 . GLU A 1 27 ? -12.623 7.094 -4.814 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 3 -ATOM 3611 N N . GLN A 1 28 ? -10.181 7.476 -0.500 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 3 -ATOM 3612 C CA . GLN A 1 28 ? -9.422 7.912 0.655 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 3 -ATOM 3613 C C . GLN A 1 28 ? -8.015 7.344 0.622 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 3 -ATOM 3614 O O . GLN A 1 28 ? -7.046 8.039 0.926 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 3 -ATOM 3615 C CB . GLN A 1 28 ? -10.102 7.590 1.984 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 3 -ATOM 3616 C CG . GLN A 1 28 ? -11.125 8.618 2.461 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 3 -ATOM 3617 C CD . GLN A 1 28 ? -12.345 8.753 1.583 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 3 -ATOM 3618 O OE1 . GLN A 1 28 ? -12.375 9.535 0.631 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 3 -ATOM 3619 N NE2 . GLN A 1 28 ? -13.378 8.036 1.916 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 3 -ATOM 3620 H H . GLN A 1 28 ? -10.920 6.836 -0.395 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 3 -ATOM 3621 H HA . GLN A 1 28 ? -9.334 8.983 0.558 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 3 -ATOM 3622 H HB2 . GLN A 1 28 ? -10.607 6.640 1.886 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 3 -ATOM 3623 H HB3 . GLN A 1 28 ? -9.331 7.506 2.737 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 3 -ATOM 3624 H HG2 . GLN A 1 28 ? -11.458 8.322 3.444 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 3 -ATOM 3625 H HG3 . GLN A 1 28 ? -10.631 9.573 2.535 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 3 -ATOM 3626 H HE21 . GLN A 1 28 ? -13.318 7.453 2.704 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 3 -ATOM 3627 H HE22 . GLN A 1 28 ? -14.185 8.097 1.364 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 3 -ATOM 3628 N N . LEU A 1 29 ? -7.906 6.104 0.203 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 3 -ATOM 3629 C CA . LEU A 1 29 ? -6.625 5.436 0.115 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 3 -ATOM 3630 C C . LEU A 1 29 ? -5.698 6.121 -0.892 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 3 -ATOM 3631 O O . LEU A 1 29 ? -4.523 6.338 -0.601 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 3 -ATOM 3632 C CB . LEU A 1 29 ? -6.800 3.959 -0.237 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 3 -ATOM 3633 C CG . LEU A 1 29 ? -7.565 3.086 0.781 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 3 -ATOM 3634 C CD1 . LEU A 1 29 ? -7.600 1.647 0.322 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 3 -ATOM 3635 C CD2 . LEU A 1 29 ? -6.951 3.188 2.174 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 3 -ATOM 3636 H H . LEU A 1 29 ? -8.719 5.615 -0.047 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 3 -ATOM 3637 H HA . LEU A 1 29 ? -6.161 5.505 1.088 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 3 -ATOM 3638 H HB2 . LEU A 1 29 ? -7.334 3.917 -1.175 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 3 -ATOM 3639 H HB3 . LEU A 1 29 ? -5.819 3.539 -0.393 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 3 -ATOM 3640 H HG . LEU A 1 29 ? -8.595 3.410 0.835 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 3 -ATOM 3641 H HD11 . LEU A 1 29 ? -8.089 1.586 -0.639 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 3 -ATOM 3642 H HD12 . LEU A 1 29 ? -8.144 1.054 1.041 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 3 -ATOM 3643 H HD13 . LEU A 1 29 ? -6.591 1.271 0.234 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 3 -ATOM 3644 H HD21 . LEU A 1 29 ? -7.014 4.206 2.528 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 3 -ATOM 3645 H HD22 . LEU A 1 29 ? -5.915 2.884 2.131 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 3 -ATOM 3646 H HD23 . LEU A 1 29 ? -7.486 2.539 2.851 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 3 -ATOM 3647 N N . LYS A 1 30 ? -6.232 6.487 -2.055 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 3 -ATOM 3648 C CA . LYS A 1 30 ? -5.426 7.144 -3.090 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 3 -ATOM 3649 C C . LYS A 1 30 ? -4.915 8.504 -2.631 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 3 -ATOM 3650 O O . LYS A 1 30 ? -3.816 8.932 -3.025 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 3 -ATOM 3651 C CB . LYS A 1 30 ? -6.188 7.300 -4.387 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 3 -ATOM 3652 C CG . LYS A 1 30 ? -7.246 8.386 -4.389 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 3 -ATOM 3653 C CD . LYS A 1 30 ? -7.728 8.709 -5.785 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 3 -ATOM 3654 C CE . LYS A 1 30 ? -6.605 9.325 -6.607 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 3 -ATOM 3655 N NZ . LYS A 1 30 ? -7.055 9.712 -7.954 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 3 -ATOM 3656 H H . LYS A 1 30 ? -7.173 6.251 -2.230 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 3 -ATOM 3657 H HA . LYS A 1 30 ? -4.568 6.513 -3.265 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 3 -ATOM 3658 H HB2 . LYS A 1 30 ? -5.518 7.410 -5.223 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 3 -ATOM 3659 H HB3 . LYS A 1 30 ? -6.718 6.366 -4.453 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 3 -ATOM 3660 H HG2 . LYS A 1 30 ? -8.071 8.062 -3.775 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 3 -ATOM 3661 H HG3 . LYS A 1 30 ? -6.804 9.267 -3.947 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 3 -ATOM 3662 H HD2 . LYS A 1 30 ? -8.061 7.800 -6.263 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 3 -ATOM 3663 H HD3 . LYS A 1 30 ? -8.547 9.412 -5.722 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 3 -ATOM 3664 H HE2 . LYS A 1 30 ? -6.227 10.182 -6.069 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 3 -ATOM 3665 H HE3 . LYS A 1 30 ? -5.800 8.613 -6.690 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 3 -ATOM 3666 H HZ1 . LYS A 1 30 ? -7.420 8.883 -8.465 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 3 -ATOM 3667 H HZ2 . LYS A 1 30 ? -6.269 10.102 -8.509 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 3 -ATOM 3668 H HZ3 . LYS A 1 30 ? -7.815 10.422 -7.920 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 3 -ATOM 3669 N N . LYS A 1 31 ? -5.728 9.185 -1.829 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 3 -ATOM 3670 C CA . LYS A 1 31 ? -5.336 10.477 -1.225 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 3 -ATOM 3671 C C . LYS A 1 31 ? -4.097 10.272 -0.401 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 3 -ATOM 3672 O O . LYS A 1 31 ? -3.144 11.037 -0.477 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 3 -ATOM 3673 C CB . LYS A 1 31 ? -6.421 11.024 -0.304 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 3 -ATOM 3674 C CG . LYS A 1 31 ? -7.732 11.305 -0.964 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 3 -ATOM 3675 C CD . LYS A 1 31 ? -8.790 11.630 0.074 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 3 -ATOM 3676 C CE . LYS A 1 31 ? -10.178 11.672 -0.534 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 3 -ATOM 3677 N NZ . LYS A 1 31 ? -10.334 12.760 -1.511 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 3 -ATOM 3678 H H . LYS A 1 31 ? -6.617 8.780 -1.702 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 3 -ATOM 3679 H HA . LYS A 1 31 ? -5.137 11.185 -2.017 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 3 -ATOM 3680 H HB2 . LYS A 1 31 ? -6.601 10.306 0.484 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 3 -ATOM 3681 H HB3 . LYS A 1 31 ? -6.059 11.938 0.139 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 3 -ATOM 3682 H HG2 . LYS A 1 31 ? -7.598 12.145 -1.630 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 3 -ATOM 3683 H HG3 . LYS A 1 31 ? -8.029 10.433 -1.529 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 3 -ATOM 3684 H HD2 . LYS A 1 31 ? -8.764 10.887 0.857 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 3 -ATOM 3685 H HD3 . LYS A 1 31 ? -8.563 12.595 0.502 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 3 -ATOM 3686 H HE2 . LYS A 1 31 ? -10.343 10.730 -1.035 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 3 -ATOM 3687 H HE3 . LYS A 1 31 ? -10.899 11.788 0.261 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 3 -ATOM 3688 H HZ1 . LYS A 1 31 ? -9.629 12.663 -2.267 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 3 -ATOM 3689 H HZ2 . LYS A 1 31 ? -10.217 13.687 -1.056 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 3 -ATOM 3690 H HZ3 . LYS A 1 31 ? -11.277 12.726 -1.947 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 3 -ATOM 3691 N N . LYS A 1 32 ? -4.107 9.193 0.355 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 3 -ATOM 3692 C CA . LYS A 1 32 ? -2.992 8.858 1.212 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 3 -ATOM 3693 C C . LYS A 1 32 ? -1.768 8.511 0.422 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 3 -ATOM 3694 O O . LYS A 1 32 ? -0.666 8.838 0.826 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 3 -ATOM 3695 C CB . LYS A 1 32 ? -3.316 7.780 2.242 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 3 -ATOM 3696 C CG . LYS A 1 32 ? -3.939 8.295 3.540 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 3 -ATOM 3697 C CD . LYS A 1 32 ? -5.300 8.923 3.346 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 3 -ATOM 3698 C CE . LYS A 1 32 ? -5.838 9.452 4.657 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 3 -ATOM 3699 N NZ . LYS A 1 32 ? -4.994 10.540 5.192 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 3 -ATOM 3700 H H . LYS A 1 32 ? -4.895 8.610 0.284 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 3 -ATOM 3701 H HA . LYS A 1 32 ? -2.749 9.765 1.743 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 3 -ATOM 3702 H HB2 . LYS A 1 32 ? -4.004 7.075 1.800 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 3 -ATOM 3703 H HB3 . LYS A 1 32 ? -2.400 7.264 2.491 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 3 -ATOM 3704 H HG2 . LYS A 1 32 ? -4.044 7.475 4.234 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 3 -ATOM 3705 H HG3 . LYS A 1 32 ? -3.274 9.032 3.964 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 3 -ATOM 3706 H HD2 . LYS A 1 32 ? -5.216 9.737 2.640 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 3 -ATOM 3707 H HD3 . LYS A 1 32 ? -5.981 8.180 2.958 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 3 -ATOM 3708 H HE2 . LYS A 1 32 ? -6.847 9.806 4.514 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 3 -ATOM 3709 H HE3 . LYS A 1 32 ? -5.844 8.635 5.362 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 3 -ATOM 3710 H HZ1 . LYS A 1 32 ? -4.034 10.197 5.394 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 3 -ATOM 3711 H HZ2 . LYS A 1 32 ? -5.385 10.921 6.077 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 3 -ATOM 3712 H HZ3 . LYS A 1 32 ? -4.908 11.311 4.499 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 3 -ATOM 3713 N N . LEU A 1 33 ? -1.969 7.883 -0.718 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 3 -ATOM 3714 C CA . LEU A 1 33 ? -0.877 7.517 -1.596 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 3 -ATOM 3715 C C . LEU A 1 33 ? -0.141 8.759 -2.077 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 3 -ATOM 3716 O O . LEU A 1 33 ? 1.077 8.840 -1.974 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 3 -ATOM 3717 C CB . LEU A 1 33 ? -1.395 6.742 -2.815 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 3 -ATOM 3718 C CG . LEU A 1 33 ? -2.177 5.460 -2.533 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 3 -ATOM 3719 C CD1 . LEU A 1 33 ? -2.624 4.811 -3.827 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 3 -ATOM 3720 C CD2 . LEU A 1 33 ? -1.345 4.496 -1.718 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 3 -ATOM 3721 H H . LEU A 1 33 ? -2.891 7.647 -0.962 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 3 -ATOM 3722 H HA . LEU A 1 33 ? -0.193 6.885 -1.048 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 3 -ATOM 3723 H HB2 . LEU A 1 33 ? -2.041 7.403 -3.374 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 3 -ATOM 3724 H HB3 . LEU A 1 33 ? -0.547 6.490 -3.434 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 3 -ATOM 3725 H HG . LEU A 1 33 ? -3.063 5.710 -1.967 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 3 -ATOM 3726 H HD11 . LEU A 1 33 ? -1.759 4.554 -4.419 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 3 -ATOM 3727 H HD12 . LEU A 1 33 ? -3.240 5.499 -4.386 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 3 -ATOM 3728 H HD13 . LEU A 1 33 ? -3.185 3.915 -3.608 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 3 -ATOM 3729 H HD21 . LEU A 1 33 ? -1.904 3.587 -1.549 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 3 -ATOM 3730 H HD22 . LEU A 1 33 ? -1.122 4.962 -0.769 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 3 -ATOM 3731 H HD23 . LEU A 1 33 ? -0.425 4.275 -2.237 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 3 -ATOM 3732 N N . VAL A 1 34 ? -0.892 9.749 -2.537 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 3 -ATOM 3733 C CA . VAL A 1 34 ? -0.291 10.946 -3.092 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 3 -ATOM 3734 C C . VAL A 1 34 ? 0.411 11.798 -2.011 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 3 -ATOM 3735 O O . VAL A 1 34 ? 1.517 12.318 -2.238 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 3 -ATOM 3736 C CB . VAL A 1 34 ? -1.290 11.788 -3.967 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 3 -ATOM 3737 C CG1 . VAL A 1 34 ? -2.422 12.409 -3.165 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 3 -ATOM 3738 C CG2 . VAL A 1 34 ? -0.562 12.834 -4.790 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 3 -ATOM 3739 H H . VAL A 1 34 ? -1.871 9.668 -2.488 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 3 -ATOM 3740 H HA . VAL A 1 34 ? 0.499 10.582 -3.736 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 3 -ATOM 3741 H HB . VAL A 1 34 ? -1.759 11.100 -4.656 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 3 -ATOM 3742 H HG11 . VAL A 1 34 ? -3.069 12.966 -3.826 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 3 -ATOM 3743 H HG12 . VAL A 1 34 ? -2.009 13.071 -2.419 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 3 -ATOM 3744 H HG13 . VAL A 1 34 ? -2.989 11.628 -2.679 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 3 -ATOM 3745 H HG21 . VAL A 1 34 ? -1.283 13.389 -5.373 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 3 -ATOM 3746 H HG22 . VAL A 1 34 ? 0.141 12.350 -5.450 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 3 -ATOM 3747 H HG23 . VAL A 1 34 ? -0.035 13.508 -4.132 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 3 -ATOM 3748 N N . GLU A 1 35 ? -0.212 11.923 -0.838 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 3 -ATOM 3749 C CA . GLU A 1 35 ? 0.399 12.666 0.258 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 3 -ATOM 3750 C C . GLU A 1 35 ? 1.644 11.947 0.831 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 3 -ATOM 3751 O O . GLU A 1 35 ? 2.696 12.569 1.040 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 3 -ATOM 3752 C CB . GLU A 1 35 ? -0.642 13.030 1.356 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 3 -ATOM 3753 C CG . GLU A 1 35 ? -1.411 11.848 1.922 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 3 -ATOM 3754 C CD . GLU A 1 35 ? -2.517 12.232 2.899 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 3 -ATOM 3755 O OE1 . GLU A 1 35 ? -3.361 13.082 2.566 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 3 -ATOM 3756 O OE2 . GLU A 1 35 ? -2.599 11.636 4.008 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 3 -ATOM 3757 H H . GLU A 1 35 ? -1.108 11.533 -0.713 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 3 -ATOM 3758 H HA . GLU A 1 35 ? 0.758 13.583 -0.187 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 3 -ATOM 3759 H HB2 . GLU A 1 35 ? -0.144 13.533 2.171 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 3 -ATOM 3760 H HB3 . GLU A 1 35 ? -1.357 13.707 0.913 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 3 -ATOM 3761 H HG2 . GLU A 1 35 ? -1.861 11.343 1.081 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 3 -ATOM 3762 H HG3 . GLU A 1 35 ? -0.715 11.182 2.410 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 3 -ATOM 3763 N N . VAL A 1 36 ? 1.551 10.633 1.007 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 3 -ATOM 3764 C CA . VAL A 1 36 ? 2.633 9.873 1.616 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 3 -ATOM 3765 C C . VAL A 1 36 ? 3.896 9.864 0.740 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 3 -ATOM 3766 O O . VAL A 1 36 ? 4.993 9.838 1.254 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 3 -ATOM 3767 C CB . VAL A 1 36 ? 2.225 8.430 2.048 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 3 -ATOM 3768 C CG1 . VAL A 1 36 ? 2.142 7.452 0.876 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 3 -ATOM 3769 C CG2 . VAL A 1 36 ? 3.145 7.916 3.143 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 3 -ATOM 3770 H H . VAL A 1 36 ? 0.737 10.158 0.729 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 3 -ATOM 3771 H HA . VAL A 1 36 ? 2.898 10.430 2.503 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 3 -ATOM 3772 H HB . VAL A 1 36 ? 1.230 8.500 2.463 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 3 -ATOM 3773 H HG11 . VAL A 1 36 ? 1.407 7.807 0.168 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 3 -ATOM 3774 H HG12 . VAL A 1 36 ? 1.854 6.477 1.239 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 3 -ATOM 3775 H HG13 . VAL A 1 36 ? 3.106 7.388 0.392 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 3 -ATOM 3776 H HG21 . VAL A 1 36 ? 4.154 7.888 2.761 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 3 -ATOM 3777 H HG22 . VAL A 1 36 ? 2.841 6.922 3.435 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 3 -ATOM 3778 H HG23 . VAL A 1 36 ? 3.101 8.575 3.998 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 3 -ATOM 3779 N N . LEU A 1 37 ? 3.716 9.924 -0.578 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 3 -ATOM 3780 C CA . LEU A 1 37 ? 4.824 9.904 -1.547 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 3 -ATOM 3781 C C . LEU A 1 37 ? 5.874 10.978 -1.308 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 3 -ATOM 3782 O O . LEU A 1 37 ? 7.030 10.787 -1.685 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 3 -ATOM 3783 C CB . LEU A 1 37 ? 4.316 10.037 -2.982 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 3 -ATOM 3784 C CG . LEU A 1 37 ? 3.631 8.822 -3.590 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 3 -ATOM 3785 C CD1 . LEU A 1 37 ? 3.078 9.182 -4.952 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 3 -ATOM 3786 C CD2 . LEU A 1 37 ? 4.618 7.672 -3.717 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 3 -ATOM 3787 H H . LEU A 1 37 ? 2.799 9.968 -0.920 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 3 -ATOM 3788 H HA . LEU A 1 37 ? 5.310 8.945 -1.462 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 3 -ATOM 3789 H HB2 . LEU A 1 37 ? 3.616 10.858 -3.006 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 3 -ATOM 3790 H HB3 . LEU A 1 37 ? 5.159 10.299 -3.608 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 3 -ATOM 3791 H HG . LEU A 1 37 ? 2.814 8.507 -2.957 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 3 -ATOM 3792 H HD11 . LEU A 1 37 ? 2.397 10.013 -4.860 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 3 -ATOM 3793 H HD12 . LEU A 1 37 ? 2.552 8.337 -5.368 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 3 -ATOM 3794 H HD13 . LEU A 1 37 ? 3.895 9.461 -5.600 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 3 -ATOM 3795 H HD21 . LEU A 1 37 ? 4.144 6.836 -4.207 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 3 -ATOM 3796 H HD22 . LEU A 1 37 ? 4.949 7.367 -2.736 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 3 -ATOM 3797 H HD23 . LEU A 1 37 ? 5.467 7.997 -4.300 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 3 -ATOM 3798 N N . GLU A 1 38 ? 5.502 12.096 -0.686 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 3 -ATOM 3799 C CA . GLU A 1 38 ? 6.478 13.157 -0.496 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 3 -ATOM 3800 C C . GLU A 1 38 ? 7.412 12.857 0.684 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 3 -ATOM 3801 O O . GLU A 1 38 ? 8.483 13.461 0.816 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 3 -ATOM 3802 C CB . GLU A 1 38 ? 5.812 14.513 -0.304 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 3 -ATOM 3803 C CG . GLU A 1 38 ? 5.022 14.647 0.981 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 3 -ATOM 3804 C CD . GLU A 1 38 ? 4.522 16.033 1.173 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 3 -ATOM 3805 O OE1 . GLU A 1 38 ? 5.357 16.944 1.397 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 3 -ATOM 3806 O OE2 . GLU A 1 38 ? 3.297 16.267 1.061 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 3 -ATOM 3807 H H . GLU A 1 38 ? 4.583 12.197 -0.348 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 3 -ATOM 3808 H HA . GLU A 1 38 ? 7.077 13.188 -1.395 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 3 -ATOM 3809 H HB2 . GLU A 1 38 ? 6.575 15.278 -0.310 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 3 -ATOM 3810 H HB3 . GLU A 1 38 ? 5.142 14.689 -1.131 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 3 -ATOM 3811 H HG2 . GLU A 1 38 ? 4.179 13.973 0.949 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 3 -ATOM 3812 H HG3 . GLU A 1 38 ? 5.661 14.386 1.812 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 3 -ATOM 3813 N N . SER A 1 39 ? 6.994 11.959 1.552 1.00 0.00 ? ? ? ? ? ? 36 SER A N 3 -ATOM 3814 C CA . SER A 1 39 ? 7.765 11.567 2.719 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 3 -ATOM 3815 C C . SER A 1 39 ? 7.327 10.179 3.200 1.00 0.00 ? ? ? ? ? ? 36 SER A C 3 -ATOM 3816 O O . SER A 1 39 ? 6.746 10.049 4.260 1.00 0.00 ? ? ? ? ? ? 36 SER A O 3 -ATOM 3817 C CB . SER A 1 39 ? 7.589 12.600 3.849 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 3 -ATOM 3818 O OG . SER A 1 39 ? 8.035 13.908 3.444 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 3 -ATOM 3819 H H . SER A 1 39 ? 6.135 11.507 1.400 1.00 0.00 ? ? ? ? ? ? 36 SER A H 3 -ATOM 3820 H HA . SER A 1 39 ? 8.807 11.516 2.453 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 3 -ATOM 3821 H HB2 . SER A 1 39 ? 6.543 12.655 4.115 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 3 -ATOM 3822 H HB3 . SER A 1 39 ? 8.158 12.286 4.711 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 3 -ATOM 3823 H HG . SER A 1 39 ? 8.402 13.775 2.554 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 3 -ATOM 3824 N N . PRO A 1 40 ? 7.586 9.112 2.419 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 3 -ATOM 3825 C CA . PRO A 1 40 ? 7.122 7.764 2.762 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 3 -ATOM 3826 C C . PRO A 1 40 ? 7.924 7.089 3.874 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 3 -ATOM 3827 O O . PRO A 1 40 ? 7.603 5.993 4.277 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 3 -ATOM 3828 C CB . PRO A 1 40 ? 7.261 7.000 1.451 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 3 -ATOM 3829 C CG . PRO A 1 40 ? 8.392 7.665 0.763 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 3 -ATOM 3830 C CD . PRO A 1 40 ? 8.285 9.126 1.110 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 3 -ATOM 3831 H HA . PRO A 1 40 ? 6.084 7.779 3.055 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 3 -ATOM 3832 H HB2 . PRO A 1 40 ? 7.469 5.962 1.662 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 3 -ATOM 3833 H HB3 . PRO A 1 40 ? 6.348 7.082 0.880 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 3 -ATOM 3834 H HG2 . PRO A 1 40 ? 9.328 7.261 1.121 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 3 -ATOM 3835 H HG3 . PRO A 1 40 ? 8.307 7.527 -0.305 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 3 -ATOM 3836 H HD2 . PRO A 1 40 ? 9.260 9.583 1.190 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 3 -ATOM 3837 H HD3 . PRO A 1 40 ? 7.675 9.633 0.373 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 3 -ATOM 3838 N N . ARG A 1 41 ? 8.927 7.772 4.388 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 3 -ATOM 3839 C CA . ARG A 1 41 ? 9.799 7.246 5.452 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 3 -ATOM 3840 C C . ARG A 1 41 ? 9.172 7.305 6.858 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 3 -ATOM 3841 O O . ARG A 1 41 ? 9.892 7.299 7.856 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 3 -ATOM 3842 C CB . ARG A 1 41 ? 11.166 7.977 5.445 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 3 -ATOM 3843 C CG . ARG A 1 41 ? 11.148 9.519 5.261 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 3 -ATOM 3844 C CD . ARG A 1 41 ? 10.275 10.298 6.264 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 3 -ATOM 3845 N NE . ARG A 1 41 ? 10.544 9.990 7.684 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 3 -ATOM 3846 C CZ . ARG A 1 41 ? 10.419 10.860 8.690 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 3 -ATOM 3847 N NH1 . ARG A 1 41 ? 10.386 12.177 8.442 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 3 -ATOM 3848 N NH2 . ARG A 1 41 ? 10.362 10.422 9.943 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 3 -ATOM 3849 H H . ARG A 1 41 ? 9.090 8.666 4.029 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 3 -ATOM 3850 H HA . ARG A 1 41 ? 9.984 6.209 5.216 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 3 -ATOM 3851 H HB2 . ARG A 1 41 ? 11.646 7.780 6.391 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 3 -ATOM 3852 H HB3 . ARG A 1 41 ? 11.774 7.552 4.660 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 3 -ATOM 3853 H HG2 . ARG A 1 41 ? 12.158 9.887 5.334 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 3 -ATOM 3854 H HG3 . ARG A 1 41 ? 10.791 9.722 4.262 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 3 -ATOM 3855 H HD2 . ARG A 1 41 ? 10.446 11.353 6.114 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 3 -ATOM 3856 H HD3 . ARG A 1 41 ? 9.239 10.080 6.050 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 3 -ATOM 3857 H HE . ARG A 1 41 ? 10.717 9.038 7.892 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 3 -ATOM 3858 H HH11 . ARG A 1 41 ? 10.454 12.554 7.515 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 3 -ATOM 3859 H HH12 . ARG A 1 41 ? 10.300 12.845 9.186 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 3 -ATOM 3860 H HH21 . ARG A 1 41 ? 10.401 9.438 10.178 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 3 -ATOM 3861 H HH22 . ARG A 1 41 ? 10.261 11.040 10.727 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 3 -ATOM 3862 N N . ILE A 1 42 ? 7.875 7.294 6.936 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 3 -ATOM 3863 C CA . ILE A 1 42 ? 7.189 7.471 8.197 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 3 -ATOM 3864 C C . ILE A 1 42 ? 7.131 6.152 8.957 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 3 -ATOM 3865 O O . ILE A 1 42 ? 6.305 5.277 8.675 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 3 -ATOM 3866 C CB . ILE A 1 42 ? 5.772 8.072 7.968 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 3 -ATOM 3867 C CG1 . ILE A 1 42 ? 5.936 9.437 7.288 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 3 -ATOM 3868 C CG2 . ILE A 1 42 ? 5.003 8.214 9.287 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 3 -ATOM 3869 C CD1 . ILE A 1 42 ? 4.648 10.100 6.841 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 3 -ATOM 3870 H H . ILE A 1 42 ? 7.364 7.121 6.118 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 3 -ATOM 3871 H HA . ILE A 1 42 ? 7.769 8.171 8.781 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 3 -ATOM 3872 H HB . ILE A 1 42 ? 5.217 7.425 7.304 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 3 -ATOM 3873 H HG12 . ILE A 1 42 ? 6.419 10.097 7.993 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 3 -ATOM 3874 H HG13 . ILE A 1 42 ? 6.578 9.324 6.426 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 3 -ATOM 3875 H HG21 . ILE A 1 42 ? 4.013 8.595 9.082 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 3 -ATOM 3876 H HG22 . ILE A 1 42 ? 5.520 8.906 9.934 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 3 -ATOM 3877 H HG23 . ILE A 1 42 ? 4.930 7.250 9.767 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 3 -ATOM 3878 H HD11 . ILE A 1 42 ? 4.017 10.312 7.691 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 3 -ATOM 3879 H HD12 . ILE A 1 42 ? 4.136 9.441 6.154 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 3 -ATOM 3880 H HD13 . ILE A 1 42 ? 4.900 11.015 6.325 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 3 -ATOM 3881 N N . GLU A 1 43 ? 8.034 6.026 9.919 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 3 -ATOM 3882 C CA . GLU A 1 43 ? 8.204 4.821 10.720 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 3 -ATOM 3883 C C . GLU A 1 43 ? 6.954 4.428 11.509 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 3 -ATOM 3884 O O . GLU A 1 43 ? 6.804 3.272 11.895 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 3 -ATOM 3885 C CB . GLU A 1 43 ? 9.434 4.902 11.650 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 3 -ATOM 3886 C CG . GLU A 1 43 ? 9.547 6.175 12.484 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 3 -ATOM 3887 C CD . GLU A 1 43 ? 10.237 7.303 11.756 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 3 -ATOM 3888 O OE1 . GLU A 1 43 ? 9.585 8.017 10.988 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 3 -ATOM 3889 O OE2 . GLU A 1 43 ? 11.461 7.493 11.951 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 3 -ATOM 3890 H H . GLU A 1 43 ? 8.631 6.792 10.099 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 3 -ATOM 3891 H HA . GLU A 1 43 ? 8.386 4.028 10.011 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 3 -ATOM 3892 H HB2 . GLU A 1 43 ? 9.399 4.065 12.332 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 3 -ATOM 3893 H HB3 . GLU A 1 43 ? 10.324 4.814 11.045 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 3 -ATOM 3894 H HG2 . GLU A 1 43 ? 8.547 6.510 12.713 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 3 -ATOM 3895 H HG3 . GLU A 1 43 ? 10.081 5.966 13.400 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 3 -ATOM 3896 N N . ALA A 1 44 ? 6.056 5.368 11.724 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 3 -ATOM 3897 C CA . ALA A 1 44 ? 4.812 5.091 12.440 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 3 -ATOM 3898 C C . ALA A 1 44 ? 3.900 4.173 11.614 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 3 -ATOM 3899 O O . ALA A 1 44 ? 3.049 3.457 12.152 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 3 -ATOM 3900 C CB . ALA A 1 44 ? 4.100 6.389 12.771 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 3 -ATOM 3901 H H . ALA A 1 44 ? 6.247 6.276 11.405 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 3 -ATOM 3902 H HA . ALA A 1 44 ? 5.068 4.592 13.363 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 3 -ATOM 3903 H HB1 . ALA A 1 44 ? 4.754 7.022 13.351 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 3 -ATOM 3904 H HB2 . ALA A 1 44 ? 3.209 6.171 13.340 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 3 -ATOM 3905 H HB3 . ALA A 1 44 ? 3.826 6.894 11.857 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 3 -ATOM 3906 N N . ASN A 1 45 ? 4.112 4.169 10.316 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 3 -ATOM 3907 C CA . ASN A 1 45 ? 3.302 3.369 9.404 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 3 -ATOM 3908 C C . ASN A 1 45 ? 4.070 2.149 8.951 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 3 -ATOM 3909 O O . ASN A 1 45 ? 3.552 1.328 8.210 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 3 -ATOM 3910 C CB . ASN A 1 45 ? 2.921 4.188 8.157 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 3 -ATOM 3911 C CG . ASN A 1 45 ? 2.059 5.398 8.446 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 3 -ATOM 3912 O OD1 . ASN A 1 45 ? 1.256 5.403 9.370 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 3 -ATOM 3913 N ND2 . ASN A 1 45 ? 2.222 6.437 7.659 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 3 -ATOM 3914 H H . ASN A 1 45 ? 4.842 4.712 9.945 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 3 -ATOM 3915 H HA . ASN A 1 45 ? 2.398 3.068 9.910 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 3 -ATOM 3916 H HB2 . ASN A 1 45 ? 3.822 4.536 7.677 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 3 -ATOM 3917 H HB3 . ASN A 1 45 ? 2.389 3.544 7.470 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 3 -ATOM 3918 H HD21 . ASN A 1 45 ? 2.879 6.385 6.934 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 3 -ATOM 3919 H HD22 . ASN A 1 45 ? 1.673 7.232 7.836 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 3 -ATOM 3920 N N . LYS A 1 46 ? 5.294 2.028 9.411 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 3 -ATOM 3921 C CA . LYS A 1 46 ? 6.186 1.041 8.961 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 3 -ATOM 3922 C C . LYS A 1 46 ? 5.988 -0.278 9.686 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 3 -ATOM 3923 O O . LYS A 1 46 ? 5.764 -0.317 10.905 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 3 -ATOM 3924 C CB . LYS A 1 46 ? 7.577 1.580 9.162 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 3 -ATOM 3925 C CG . LYS A 1 46 ? 8.628 0.849 8.428 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 3 -ATOM 3926 C CD . LYS A 1 46 ? 9.910 1.667 8.387 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 3 -ATOM 3927 C CE . LYS A 1 46 ? 10.899 1.104 7.390 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 3 -ATOM 3928 N NZ . LYS A 1 46 ? 11.977 2.073 7.079 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 3 -ATOM 3929 H H . LYS A 1 46 ? 5.675 2.604 10.100 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 3 -ATOM 3930 H HA . LYS A 1 46 ? 6.041 0.900 7.901 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 3 -ATOM 3931 H HB2 . LYS A 1 46 ? 7.583 2.604 8.823 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 3 -ATOM 3932 H HB3 . LYS A 1 46 ? 7.802 1.547 10.218 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 3 -ATOM 3933 H HG2 . LYS A 1 46 ? 8.759 -0.088 8.945 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 3 -ATOM 3934 H HG3 . LYS A 1 46 ? 8.227 0.710 7.438 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 3 -ATOM 3935 H HD2 . LYS A 1 46 ? 9.672 2.680 8.103 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 3 -ATOM 3936 H HD3 . LYS A 1 46 ? 10.357 1.664 9.370 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 3 -ATOM 3937 H HE2 . LYS A 1 46 ? 11.338 0.203 7.792 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 3 -ATOM 3938 H HE3 . LYS A 1 46 ? 10.367 0.873 6.479 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 3 -ATOM 3939 H HZ1 . LYS A 1 46 ? 11.554 2.986 6.808 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 3 -ATOM 3940 H HZ2 . LYS A 1 46 ? 12.501 1.748 6.236 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 3 -ATOM 3941 H HZ3 . LYS A 1 46 ? 12.627 2.213 7.877 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 3 -ATOM 3942 N N . LEU A 1 47 ? 6.059 -1.333 8.928 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 3 -ATOM 3943 C CA . LEU A 1 47 ? 5.919 -2.673 9.432 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 3 -ATOM 3944 C C . LEU A 1 47 ? 7.290 -3.207 9.791 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 3 -ATOM 3945 O O . LEU A 1 47 ? 8.198 -3.239 8.948 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 3 -ATOM 3946 C CB . LEU A 1 47 ? 5.281 -3.581 8.383 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 3 -ATOM 3947 C CG . LEU A 1 47 ? 3.892 -3.202 7.868 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 3 -ATOM 3948 C CD1 . LEU A 1 47 ? 3.428 -4.216 6.846 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 3 -ATOM 3949 C CD2 . LEU A 1 47 ? 2.893 -3.121 8.998 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 3 -ATOM 3950 H H . LEU A 1 47 ? 6.234 -1.189 7.969 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 3 -ATOM 3951 H HA . LEU A 1 47 ? 5.293 -2.646 10.311 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 3 -ATOM 3952 H HB2 . LEU A 1 47 ? 5.941 -3.594 7.529 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 3 -ATOM 3953 H HB3 . LEU A 1 47 ? 5.230 -4.579 8.792 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 3 -ATOM 3954 H HG . LEU A 1 47 ? 3.946 -2.237 7.384 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 3 -ATOM 3955 H HD11 . LEU A 1 47 ? 2.445 -3.941 6.493 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 3 -ATOM 3956 H HD12 . LEU A 1 47 ? 3.385 -5.194 7.303 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 3 -ATOM 3957 H HD13 . LEU A 1 47 ? 4.117 -4.238 6.014 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 3 -ATOM 3958 H HD21 . LEU A 1 47 ? 3.184 -2.347 9.692 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 3 -ATOM 3959 H HD22 . LEU A 1 47 ? 2.850 -4.073 9.505 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 3 -ATOM 3960 H HD23 . LEU A 1 47 ? 1.926 -2.890 8.576 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 3 -ATOM 3961 N N . ARG A 1 48 ? 7.436 -3.633 11.004 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 3 -ATOM 3962 C CA . ARG A 1 48 ? 8.703 -4.098 11.500 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 3 -ATOM 3963 C C . ARG A 1 48 ? 8.871 -5.576 11.183 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 3 -ATOM 3964 O O . ARG A 1 48 ? 8.061 -6.403 11.590 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 3 -ATOM 3965 C CB . ARG A 1 48 ? 8.792 -3.833 13.000 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 3 -ATOM 3966 C CG . ARG A 1 48 ? 10.102 -4.244 13.652 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 3 -ATOM 3967 C CD . ARG A 1 48 ? 10.138 -3.784 15.096 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 3 -ATOM 3968 N NE . ARG A 1 48 ? 10.069 -2.323 15.187 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 3 -ATOM 3969 C CZ . ARG A 1 48 ? 9.327 -1.623 16.058 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 3 -ATOM 3970 N NH1 . ARG A 1 48 ? 8.514 -2.248 16.914 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 3 -ATOM 3971 N NH2 . ARG A 1 48 ? 9.377 -0.288 16.044 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 3 -ATOM 3972 H H . ARG A 1 48 ? 6.642 -3.672 11.580 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 3 -ATOM 3973 H HA . ARG A 1 48 ? 9.482 -3.541 10.999 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 3 -ATOM 3974 H HB2 . ARG A 1 48 ? 8.658 -2.775 13.168 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 3 -ATOM 3975 H HB3 . ARG A 1 48 ? 7.989 -4.367 13.488 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 3 -ATOM 3976 H HG2 . ARG A 1 48 ? 10.195 -5.319 13.619 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 3 -ATOM 3977 H HG3 . ARG A 1 48 ? 10.923 -3.791 13.116 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 3 -ATOM 3978 H HD2 . ARG A 1 48 ? 9.301 -4.216 15.621 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 3 -ATOM 3979 H HD3 . ARG A 1 48 ? 11.060 -4.118 15.548 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 3 -ATOM 3980 H HE . ARG A 1 48 ? 10.632 -1.844 14.533 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 3 -ATOM 3981 H HH11 . ARG A 1 48 ? 8.413 -3.245 16.953 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 3 -ATOM 3982 H HH12 . ARG A 1 48 ? 7.960 -1.723 17.566 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 3 -ATOM 3983 H HH21 . ARG A 1 48 ? 9.957 0.222 15.400 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 3 -ATOM 3984 H HH22 . ARG A 1 48 ? 8.828 0.288 16.658 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 3 -ATOM 3985 N N . GLY A 1 49 ? 9.904 -5.895 10.440 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 3 -ATOM 3986 C CA . GLY A 1 49 ? 10.140 -7.273 10.041 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 3 -ATOM 3987 C C . GLY A 1 49 ? 9.741 -7.476 8.602 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 3 -ATOM 3988 O O . GLY A 1 49 ? 9.864 -8.572 8.040 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 3 -ATOM 3989 H H . GLY A 1 49 ? 10.521 -5.190 10.141 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 3 -ATOM 3990 H HA2 . GLY A 1 49 ? 11.187 -7.506 10.165 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 3 -ATOM 3991 H HA3 . GLY A 1 49 ? 9.551 -7.929 10.663 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 3 -ATOM 3992 N N . MET A 1 50 ? 9.258 -6.413 8.018 1.00 0.00 ? ? ? ? ? ? 47 MET A N 3 -ATOM 3993 C CA . MET A 1 50 ? 8.837 -6.376 6.639 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 3 -ATOM 3994 C C . MET A 1 50 ? 9.728 -5.373 5.935 1.00 0.00 ? ? ? ? ? ? 47 MET A C 3 -ATOM 3995 O O . MET A 1 50 ? 9.915 -4.266 6.458 1.00 0.00 ? ? ? ? ? ? 47 MET A O 3 -ATOM 3996 C CB . MET A 1 50 ? 7.379 -5.922 6.577 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 3 -ATOM 3997 C CG . MET A 1 50 ? 6.412 -6.852 7.306 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 3 -ATOM 3998 S SD . MET A 1 50 ? 6.138 -8.418 6.457 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 3 -ATOM 3999 C CE . MET A 1 50 ? 5.111 -7.857 5.097 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 3 -ATOM 4000 H H . MET A 1 50 ? 9.200 -5.583 8.538 1.00 0.00 ? ? ? ? ? ? 47 MET A H 3 -ATOM 4001 H HA . MET A 1 50 ? 8.940 -7.361 6.208 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 3 -ATOM 4002 H HB2 . MET A 1 50 ? 7.329 -4.951 7.046 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 3 -ATOM 4003 H HB3 . MET A 1 50 ? 7.072 -5.826 5.545 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 3 -ATOM 4004 H HG2 . MET A 1 50 ? 6.810 -7.061 8.287 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 3 -ATOM 4005 H HG3 . MET A 1 50 ? 5.465 -6.343 7.408 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 3 -ATOM 4006 H HE1 . MET A 1 50 ? 4.837 -8.703 4.483 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 3 -ATOM 4007 H HE2 . MET A 1 50 ? 5.645 -7.140 4.492 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 3 -ATOM 4008 H HE3 . MET A 1 50 ? 4.214 -7.400 5.489 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 3 -ATOM 4009 N N . PRO A 1 51 ? 10.305 -5.728 4.771 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 3 -ATOM 4010 C CA . PRO A 1 51 ? 11.257 -4.862 4.057 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 3 -ATOM 4011 C C . PRO A 1 51 ? 10.633 -3.545 3.594 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 3 -ATOM 4012 O O . PRO A 1 51 ? 9.944 -3.494 2.560 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 3 -ATOM 4013 C CB . PRO A 1 51 ? 11.708 -5.705 2.858 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 3 -ATOM 4014 C CG . PRO A 1 51 ? 10.634 -6.723 2.680 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 3 -ATOM 4015 C CD . PRO A 1 51 ? 10.071 -6.993 4.048 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 3 -ATOM 4016 H HA . PRO A 1 51 ? 12.107 -4.638 4.684 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 3 -ATOM 4017 H HB2 . PRO A 1 51 ? 11.806 -5.070 1.989 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 3 -ATOM 4018 H HB3 . PRO A 1 51 ? 12.658 -6.166 3.079 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 3 -ATOM 4019 H HG2 . PRO A 1 51 ? 9.867 -6.326 2.032 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 3 -ATOM 4020 H HG3 . PRO A 1 51 ? 11.050 -7.628 2.260 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 3 -ATOM 4021 H HD2 . PRO A 1 51 ? 9.015 -7.210 3.987 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 3 -ATOM 4022 H HD3 . PRO A 1 51 ? 10.598 -7.810 4.517 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 3 -ATOM 4023 N N . ASP A 1 52 ? 10.803 -2.517 4.440 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 3 -ATOM 4024 C CA . ASP A 1 52 ? 10.326 -1.149 4.212 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 3 -ATOM 4025 C C . ASP A 1 52 ? 8.917 -1.083 3.714 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 3 -ATOM 4026 O O . ASP A 1 52 ? 8.608 -0.430 2.712 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 3 -ATOM 4027 C CB . ASP A 1 52 ? 11.307 -0.292 3.398 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 3 -ATOM 4028 C CG . ASP A 1 52 ? 12.429 0.236 4.268 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 3 -ATOM 4029 O OD1 . ASP A 1 52 ? 13.187 -0.564 4.854 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 3 -ATOM 4030 O OD2 . ASP A 1 52 ? 12.530 1.469 4.453 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 3 -ATOM 4031 H H . ASP A 1 52 ? 11.277 -2.722 5.275 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 3 -ATOM 4032 H HA . ASP A 1 52 ? 10.268 -0.719 5.201 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 3 -ATOM 4033 H HB2 . ASP A 1 52 ? 11.733 -0.891 2.607 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 3 -ATOM 4034 H HB3 . ASP A 1 52 ? 10.780 0.548 2.970 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 3 -ATOM 4035 N N . CYS A 1 53 ? 8.064 -1.784 4.413 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 3 -ATOM 4036 C CA . CYS A 1 53 ? 6.679 -1.810 4.099 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 3 -ATOM 4037 C C . CYS A 1 53 ? 5.959 -0.872 5.038 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 3 -ATOM 4038 O O . CYS A 1 53 ? 6.317 -0.770 6.219 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 3 -ATOM 4039 C CB . CYS A 1 53 ? 6.146 -3.229 4.237 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 3 -ATOM 4040 S SG . CYS A 1 53 ? 7.051 -4.449 3.253 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 3 -ATOM 4041 H H . CYS A 1 53 ? 8.387 -2.304 5.178 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 3 -ATOM 4042 H HA . CYS A 1 53 ? 6.547 -1.479 3.082 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 3 -ATOM 4043 H HB2 . CYS A 1 53 ? 6.208 -3.529 5.273 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 3 -ATOM 4044 H HB3 . CYS A 1 53 ? 5.113 -3.251 3.923 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 3 -ATOM 4045 H HG . CYS A 1 53 ? 8.180 -3.879 2.840 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 3 -ATOM 4046 N N . TYR A 1 54 ? 4.985 -0.187 4.527 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 3 -ATOM 4047 C CA . TYR A 1 54 ? 4.225 0.776 5.282 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 3 -ATOM 4048 C C . TYR A 1 54 ? 2.762 0.530 5.007 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 3 -ATOM 4049 O O . TYR A 1 54 ? 2.411 -0.032 3.953 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 3 -ATOM 4050 C CB . TYR A 1 54 ? 4.596 2.220 4.880 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 3 -ATOM 4051 C CG . TYR A 1 54 ? 6.068 2.594 5.034 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 3 -ATOM 4052 C CD1 . TYR A 1 54 ? 7.003 2.226 4.077 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 3 -ATOM 4053 C CD2 . TYR A 1 54 ? 6.515 3.314 6.127 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 3 -ATOM 4054 C CE1 . TYR A 1 54 ? 8.334 2.559 4.205 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 3 -ATOM 4055 C CE2 . TYR A 1 54 ? 7.852 3.654 6.259 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 3 -ATOM 4056 C CZ . TYR A 1 54 ? 8.755 3.271 5.292 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 3 -ATOM 4057 O OH . TYR A 1 54 ? 10.093 3.600 5.419 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 3 -ATOM 4058 H H . TYR A 1 54 ? 4.732 -0.340 3.587 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 3 -ATOM 4059 H HA . TYR A 1 54 ? 4.424 0.630 6.334 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 3 -ATOM 4060 H HB2 . TYR A 1 54 ? 4.334 2.368 3.842 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 3 -ATOM 4061 H HB3 . TYR A 1 54 ? 4.014 2.906 5.478 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 3 -ATOM 4062 H HD1 . TYR A 1 54 ? 6.671 1.664 3.216 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 3 -ATOM 4063 H HD2 . TYR A 1 54 ? 5.808 3.612 6.886 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 3 -ATOM 4064 H HE1 . TYR A 1 54 ? 9.040 2.257 3.446 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 3 -ATOM 4065 H HE2 . TYR A 1 54 ? 8.181 4.217 7.120 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 3 -ATOM 4066 H HH . TYR A 1 54 ? 10.408 3.898 4.555 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 3 -ATOM 4067 N N . LYS A 1 55 ? 1.920 0.918 5.922 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 3 -ATOM 4068 C CA . LYS A 1 55 ? 0.506 0.695 5.786 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 3 -ATOM 4069 C C . LYS A 1 55 ? -0.305 1.971 5.938 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 3 -ATOM 4070 O O . LYS A 1 55 ? 0.060 2.896 6.683 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 3 -ATOM 4071 C CB . LYS A 1 55 ? 0.014 -0.362 6.786 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 3 -ATOM 4072 C CG . LYS A 1 55 ? 0.386 -0.066 8.232 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 3 -ATOM 4073 C CD . LYS A 1 55 ? -0.240 -1.061 9.188 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 3 -ATOM 4074 C CE . LYS A 1 55 ? 0.316 -0.891 10.588 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 3 -ATOM 4075 N NZ . LYS A 1 55 ? -0.316 -1.805 11.549 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 3 -ATOM 4076 H H . LYS A 1 55 ? 2.261 1.366 6.727 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 3 -ATOM 4077 H HA . LYS A 1 55 ? 0.338 0.306 4.792 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 3 -ATOM 4078 H HB2 . LYS A 1 55 ? -1.063 -0.426 6.721 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 3 -ATOM 4079 H HB3 . LYS A 1 55 ? 0.441 -1.318 6.517 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 3 -ATOM 4080 H HG2 . LYS A 1 55 ? 1.460 -0.117 8.333 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 3 -ATOM 4081 H HG3 . LYS A 1 55 ? 0.046 0.929 8.482 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 3 -ATOM 4082 H HD2 . LYS A 1 55 ? -1.308 -0.892 9.214 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 3 -ATOM 4083 H HD3 . LYS A 1 55 ? -0.041 -2.066 8.846 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 3 -ATOM 4084 H HE2 . LYS A 1 55 ? 1.378 -1.087 10.566 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 3 -ATOM 4085 H HE3 . LYS A 1 55 ? 0.149 0.128 10.904 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 3 -ATOM 4086 H HZ1 . LYS A 1 55 ? -0.390 -2.773 11.167 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 3 -ATOM 4087 H HZ2 . LYS A 1 55 ? -1.273 -1.488 11.802 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 3 -ATOM 4088 H HZ3 . LYS A 1 55 ? 0.233 -1.861 12.430 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 3 -ATOM 4089 N N . ILE A 1 56 ? -1.386 2.007 5.222 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 3 -ATOM 4090 C CA . ILE A 1 56 ? -2.359 3.061 5.296 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 3 -ATOM 4091 C C . ILE A 1 56 ? -3.573 2.479 5.956 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 3 -ATOM 4092 O O . ILE A 1 56 ? -3.893 1.320 5.712 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 3 -ATOM 4093 C CB . ILE A 1 56 ? -2.745 3.577 3.888 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 3 -ATOM 4094 C CG1 . ILE A 1 56 ? -1.514 4.122 3.179 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 3 -ATOM 4095 C CG2 . ILE A 1 56 ? -3.839 4.648 3.971 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 3 -ATOM 4096 C CD1 . ILE A 1 56 ? -1.765 4.558 1.759 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 3 -ATOM 4097 H H . ILE A 1 56 ? -1.538 1.266 4.593 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 3 -ATOM 4098 H HA . ILE A 1 56 ? -1.965 3.870 5.890 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 3 -ATOM 4099 H HB . ILE A 1 56 ? -3.134 2.746 3.321 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 3 -ATOM 4100 H HG12 . ILE A 1 56 ? -1.137 4.973 3.727 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 3 -ATOM 4101 H HG13 . ILE A 1 56 ? -0.767 3.342 3.170 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 3 -ATOM 4102 H HG21 . ILE A 1 56 ? -3.487 5.476 4.568 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 3 -ATOM 4103 H HG22 . ILE A 1 56 ? -4.721 4.230 4.435 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 3 -ATOM 4104 H HG23 . ILE A 1 56 ? -4.082 4.996 2.977 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 3 -ATOM 4105 H HD11 . ILE A 1 56 ? -2.063 3.703 1.170 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 3 -ATOM 4106 H HD12 . ILE A 1 56 ? -0.870 4.998 1.345 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 3 -ATOM 4107 H HD13 . ILE A 1 56 ? -2.559 5.288 1.748 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 3 -ATOM 4108 N N . LYS A 1 57 ? -4.222 3.237 6.792 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 3 -ATOM 4109 C CA . LYS A 1 57 ? -5.375 2.755 7.480 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 3 -ATOM 4110 C C . LYS A 1 57 ? -6.464 3.801 7.474 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 3 -ATOM 4111 O O . LYS A 1 57 ? -6.184 4.995 7.616 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 3 -ATOM 4112 C CB . LYS A 1 57 ? -5.050 2.301 8.925 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 3 -ATOM 4113 C CG . LYS A 1 57 ? -4.547 3.388 9.872 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 3 -ATOM 4114 C CD . LYS A 1 57 ? -3.105 3.795 9.624 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 3 -ATOM 4115 C CE . LYS A 1 57 ? -2.755 4.933 10.537 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 3 -ATOM 4116 N NZ . LYS A 1 57 ? -1.357 5.388 10.399 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 3 -ATOM 4117 H H . LYS A 1 57 ? -3.952 4.169 6.936 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 3 -ATOM 4118 H HA . LYS A 1 57 ? -5.725 1.900 6.929 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 3 -ATOM 4119 H HB2 . LYS A 1 57 ? -5.941 1.873 9.357 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 3 -ATOM 4120 H HB3 . LYS A 1 57 ? -4.298 1.527 8.873 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 3 -ATOM 4121 H HG2 . LYS A 1 57 ? -5.168 4.262 9.744 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 3 -ATOM 4122 H HG3 . LYS A 1 57 ? -4.644 3.040 10.889 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 3 -ATOM 4123 H HD2 . LYS A 1 57 ? -2.458 2.956 9.829 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 3 -ATOM 4124 H HD3 . LYS A 1 57 ? -2.992 4.108 8.597 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 3 -ATOM 4125 H HE2 . LYS A 1 57 ? -3.428 5.730 10.260 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 3 -ATOM 4126 H HE3 . LYS A 1 57 ? -2.960 4.616 11.547 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 3 -ATOM 4127 H HZ1 . LYS A 1 57 ? -1.125 5.723 9.442 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 3 -ATOM 4128 H HZ2 . LYS A 1 57 ? -0.661 4.666 10.672 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 3 -ATOM 4129 H HZ3 . LYS A 1 57 ? -1.195 6.187 11.046 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 3 -ATOM 4130 N N . LEU A 1 58 ? -7.685 3.383 7.258 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 3 -ATOM 4131 C CA . LEU A 1 58 ? -8.798 4.294 7.322 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 3 -ATOM 4132 C C . LEU A 1 58 ? -9.206 4.553 8.747 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 3 -ATOM 4133 O O . LEU A 1 58 ? -8.838 3.818 9.649 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 3 -ATOM 4134 C CB . LEU A 1 58 ? -9.995 3.820 6.497 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 3 -ATOM 4135 C CG . LEU A 1 58 ? -10.003 4.196 5.019 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 3 -ATOM 4136 C CD1 . LEU A 1 58 ? -11.282 3.736 4.363 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 3 -ATOM 4137 C CD2 . LEU A 1 58 ? -9.886 5.683 4.883 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 3 -ATOM 4138 H H . LEU A 1 58 ? -7.841 2.435 7.047 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 3 -ATOM 4139 H HA . LEU A 1 58 ? -8.449 5.231 6.919 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 3 -ATOM 4140 H HB2 . LEU A 1 58 ? -10.035 2.743 6.567 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 3 -ATOM 4141 H HB3 . LEU A 1 58 ? -10.885 4.218 6.957 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 3 -ATOM 4142 H HG . LEU A 1 58 ? -9.174 3.746 4.492 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 3 -ATOM 4143 H HD11 . LEU A 1 58 ? -11.353 2.659 4.405 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 3 -ATOM 4144 H HD12 . LEU A 1 58 ? -11.295 4.082 3.339 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 3 -ATOM 4145 H HD13 . LEU A 1 58 ? -12.115 4.176 4.892 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 3 -ATOM 4146 H HD21 . LEU A 1 58 ? -8.919 6.018 5.224 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 3 -ATOM 4147 H HD22 . LEU A 1 58 ? -10.659 6.122 5.495 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 3 -ATOM 4148 H HD23 . LEU A 1 58 ? -10.034 5.949 3.850 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 3 -ATOM 4149 N N . ARG A 1 59 ? -9.937 5.611 8.958 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 3 -ATOM 4150 C CA . ARG A 1 59 ? -10.394 5.925 10.288 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 3 -ATOM 4151 C C . ARG A 1 59 ? -11.836 5.456 10.434 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 3 -ATOM 4152 O O . ARG A 1 59 ? -12.217 4.859 11.440 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 3 -ATOM 4153 C CB . ARG A 1 59 ? -10.320 7.436 10.556 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 3 -ATOM 4154 C CG . ARG A 1 59 ? -8.976 8.105 10.272 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 3 -ATOM 4155 C CD . ARG A 1 59 ? -7.825 7.469 11.030 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 3 -ATOM 4156 N NE . ARG A 1 59 ? -6.609 8.296 10.943 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 3 -ATOM 4157 C CZ . ARG A 1 59 ? -5.499 7.997 10.251 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 3 -ATOM 4158 N NH1 . ARG A 1 59 ? -5.472 6.951 9.439 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 3 -ATOM 4159 N NH2 . ARG A 1 59 ? -4.434 8.781 10.340 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 3 -ATOM 4160 H H . ARG A 1 59 ? -10.175 6.201 8.212 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 3 -ATOM 4161 H HA . ARG A 1 59 ? -9.772 5.402 10.998 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 3 -ATOM 4162 H HB2 . ARG A 1 59 ? -11.068 7.931 9.956 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 3 -ATOM 4163 H HB3 . ARG A 1 59 ? -10.560 7.602 11.596 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 3 -ATOM 4164 H HG2 . ARG A 1 59 ? -8.767 8.032 9.214 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 3 -ATOM 4165 H HG3 . ARG A 1 59 ? -9.041 9.148 10.546 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 3 -ATOM 4166 H HD2 . ARG A 1 59 ? -8.107 7.357 12.066 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 3 -ATOM 4167 H HD3 . ARG A 1 59 ? -7.620 6.498 10.606 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 3 -ATOM 4168 H HE . ARG A 1 59 ? -6.640 9.114 11.491 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 3 -ATOM 4169 H HH11 . ARG A 1 59 ? -6.245 6.328 9.296 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 3 -ATOM 4170 H HH12 . ARG A 1 59 ? -4.664 6.730 8.887 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 3 -ATOM 4171 H HH21 . ARG A 1 59 ? -4.446 9.606 10.914 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 3 -ATOM 4172 H HH22 . ARG A 1 59 ? -3.566 8.587 9.874 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 3 -ATOM 4173 N N . SER A 1 60 ? -12.609 5.678 9.384 1.00 0.00 ? ? ? ? ? ? 57 SER A N 3 -ATOM 4174 C CA . SER A 1 60 ? -14.029 5.377 9.358 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 3 -ATOM 4175 C C . SER A 1 60 ? -14.288 3.939 8.888 1.00 0.00 ? ? ? ? ? ? 57 SER A C 3 -ATOM 4176 O O . SER A 1 60 ? -15.437 3.497 8.785 1.00 0.00 ? ? ? ? ? ? 57 SER A O 3 -ATOM 4177 C CB . SER A 1 60 ? -14.733 6.389 8.437 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 3 -ATOM 4178 O OG . SER A 1 60 ? -16.144 6.251 8.448 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 3 -ATOM 4179 H H . SER A 1 60 ? -12.214 6.093 8.589 1.00 0.00 ? ? ? ? ? ? 57 SER A H 3 -ATOM 4180 H HA . SER A 1 60 ? -14.414 5.498 10.357 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 3 -ATOM 4181 H HB2 . SER A 1 60 ? -14.488 7.390 8.760 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 3 -ATOM 4182 H HB3 . SER A 1 60 ? -14.379 6.249 7.427 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 3 -ATOM 4183 H HG . SER A 1 60 ? -16.379 5.377 8.790 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 3 -ATOM 4184 N N . SER A 1 61 ? -13.238 3.228 8.598 1.00 0.00 ? ? ? ? ? ? 58 SER A N 3 -ATOM 4185 C CA . SER A 1 61 ? -13.327 1.865 8.155 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 3 -ATOM 4186 C C . SER A 1 61 ? -12.037 1.187 8.567 1.00 0.00 ? ? ? ? ? ? 58 SER A C 3 -ATOM 4187 O O . SER A 1 61 ? -11.065 1.876 8.868 1.00 0.00 ? ? ? ? ? ? 58 SER A O 3 -ATOM 4188 C CB . SER A 1 61 ? -13.501 1.813 6.624 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 3 -ATOM 4189 O OG . SER A 1 61 ? -14.609 2.606 6.192 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 3 -ATOM 4190 H H . SER A 1 61 ? -12.339 3.600 8.716 1.00 0.00 ? ? ? ? ? ? 58 SER A H 3 -ATOM 4191 H HA . SER A 1 61 ? -14.166 1.392 8.642 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 3 -ATOM 4192 H HB2 . SER A 1 61 ? -12.604 2.183 6.150 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 3 -ATOM 4193 H HB3 . SER A 1 61 ? -13.670 0.789 6.326 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 3 -ATOM 4194 H HG . SER A 1 61 ? -15.197 2.733 6.953 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 3 -ATOM 4195 N N . GLY A 1 62 ? -12.008 -0.117 8.568 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 3 -ATOM 4196 C CA . GLY A 1 62 ? -10.822 -0.828 8.965 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 3 -ATOM 4197 C C . GLY A 1 62 ? -10.005 -1.272 7.778 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 3 -ATOM 4198 O O . GLY A 1 62 ? -9.292 -2.288 7.840 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 3 -ATOM 4199 H H . GLY A 1 62 ? -12.800 -0.640 8.306 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 3 -ATOM 4200 H HA2 . GLY A 1 62 ? -10.220 -0.185 9.589 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 3 -ATOM 4201 H HA3 . GLY A 1 62 ? -11.111 -1.698 9.536 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 3 -ATOM 4202 N N . TYR A 1 63 ? -10.080 -0.513 6.708 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 3 -ATOM 4203 C CA . TYR A 1 63 ? -9.373 -0.849 5.507 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 3 -ATOM 4204 C C . TYR A 1 63 ? -7.947 -0.383 5.574 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 3 -ATOM 4205 O O . TYR A 1 63 ? -7.657 0.724 6.051 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 3 -ATOM 4206 C CB . TYR A 1 63 ? -10.087 -0.338 4.251 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 3 -ATOM 4207 C CG . TYR A 1 63 ? -11.230 -1.232 3.793 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 3 -ATOM 4208 C CD1 . TYR A 1 63 ? -12.426 -1.305 4.495 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 3 -ATOM 4209 C CD2 . TYR A 1 63 ? -11.093 -2.020 2.655 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 3 -ATOM 4210 C CE1 . TYR A 1 63 ? -13.450 -2.136 4.074 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 3 -ATOM 4211 C CE2 . TYR A 1 63 ? -12.108 -2.852 2.230 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 3 -ATOM 4212 C CZ . TYR A 1 63 ? -13.282 -2.907 2.939 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 3 -ATOM 4213 O OH . TYR A 1 63 ? -14.298 -3.742 2.516 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 3 -ATOM 4214 H H . TYR A 1 63 ? -10.582 0.328 6.742 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 3 -ATOM 4215 H HA . TYR A 1 63 ? -9.353 -1.927 5.469 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 3 -ATOM 4216 H HB2 . TYR A 1 63 ? -10.496 0.641 4.458 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 3 -ATOM 4217 H HB3 . TYR A 1 63 ? -9.373 -0.260 3.445 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 3 -ATOM 4218 H HD1 . TYR A 1 63 ? -12.550 -0.698 5.380 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 3 -ATOM 4219 H HD2 . TYR A 1 63 ? -10.170 -1.978 2.097 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 3 -ATOM 4220 H HE1 . TYR A 1 63 ? -14.374 -2.180 4.632 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 3 -ATOM 4221 H HE2 . TYR A 1 63 ? -11.977 -3.455 1.344 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 3 -ATOM 4222 H HH . TYR A 1 63 ? -15.111 -3.228 2.573 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 3 -ATOM 4223 N N . ARG A 1 64 ? -7.071 -1.244 5.140 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 3 -ATOM 4224 C CA . ARG A 1 64 ? -5.654 -1.015 5.146 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 3 -ATOM 4225 C C . ARG A 1 64 ? -5.082 -1.280 3.782 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 3 -ATOM 4226 O O . ARG A 1 64 ? -5.588 -2.120 3.025 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 3 -ATOM 4227 C CB . ARG A 1 64 ? -4.905 -1.901 6.167 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 3 -ATOM 4228 C CG . ARG A 1 64 ? -4.828 -1.399 7.615 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 3 -ATOM 4229 C CD . ARG A 1 64 ? -6.172 -1.305 8.299 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 3 -ATOM 4230 N NE . ARG A 1 64 ? -6.017 -1.047 9.732 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 3 -ATOM 4231 C CZ . ARG A 1 64 ? -6.848 -1.476 10.687 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 3 -ATOM 4232 N NH1 . ARG A 1 64 ? -7.970 -2.126 10.367 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 3 -ATOM 4233 N NH2 . ARG A 1 64 ? -6.566 -1.238 11.960 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 3 -ATOM 4234 H H . ARG A 1 64 ? -7.396 -2.080 4.730 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 3 -ATOM 4235 H HA . ARG A 1 64 ? -5.486 0.021 5.404 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 3 -ATOM 4236 H HB2 . ARG A 1 64 ? -5.389 -2.867 6.192 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 3 -ATOM 4237 H HB3 . ARG A 1 64 ? -3.896 -2.041 5.805 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 3 -ATOM 4238 H HG2 . ARG A 1 64 ? -4.207 -2.075 8.183 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 3 -ATOM 4239 H HG3 . ARG A 1 64 ? -4.365 -0.423 7.612 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 3 -ATOM 4240 H HD2 . ARG A 1 64 ? -6.733 -0.496 7.854 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 3 -ATOM 4241 H HD3 . ARG A 1 64 ? -6.706 -2.234 8.162 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 3 -ATOM 4242 H HE . ARG A 1 64 ? -5.213 -0.536 9.977 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 3 -ATOM 4243 H HH11 . ARG A 1 64 ? -8.230 -2.309 9.415 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 3 -ATOM 4244 H HH12 . ARG A 1 64 ? -8.602 -2.454 11.075 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 3 -ATOM 4245 H HH21 . ARG A 1 64 ? -5.748 -0.739 12.256 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 3 -ATOM 4246 H HH22 . ARG A 1 64 ? -7.162 -1.569 12.695 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 3 -ATOM 4247 N N . LEU A 1 65 ? -4.050 -0.579 3.478 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 3 -ATOM 4248 C CA . LEU A 1 65 ? -3.328 -0.745 2.256 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 3 -ATOM 4249 C C . LEU A 1 65 ? -1.868 -0.872 2.638 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 3 -ATOM 4250 O O . LEU A 1 65 ? -1.351 -0.023 3.355 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 3 -ATOM 4251 C CB . LEU A 1 65 ? -3.605 0.468 1.326 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 3 -ATOM 4252 C CG . LEU A 1 65 ? -3.020 0.446 -0.103 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 3 -ATOM 4253 C CD1 . LEU A 1 65 ? -3.717 1.484 -0.958 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 3 -ATOM 4254 C CD2 . LEU A 1 65 ? -1.541 0.755 -0.099 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 3 -ATOM 4255 H H . LEU A 1 65 ? -3.744 0.098 4.123 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 3 -ATOM 4256 H HA . LEU A 1 65 ? -3.660 -1.659 1.786 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 3 -ATOM 4257 H HB2 . LEU A 1 65 ? -4.676 0.575 1.237 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 3 -ATOM 4258 H HB3 . LEU A 1 65 ? -3.229 1.350 1.822 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 3 -ATOM 4259 H HG . LEU A 1 65 ? -3.173 -0.532 -0.536 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 3 -ATOM 4260 H HD11 . LEU A 1 65 ? -4.768 1.247 -1.019 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 3 -ATOM 4261 H HD12 . LEU A 1 65 ? -3.282 1.478 -1.946 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 3 -ATOM 4262 H HD13 . LEU A 1 65 ? -3.589 2.460 -0.515 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 3 -ATOM 4263 H HD21 . LEU A 1 65 ? -1.396 1.735 0.330 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 3 -ATOM 4264 H HD22 . LEU A 1 65 ? -1.173 0.749 -1.113 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 3 -ATOM 4265 H HD23 . LEU A 1 65 ? -1.014 0.020 0.490 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 3 -ATOM 4266 N N . VAL A 1 66 ? -1.228 -1.931 2.211 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 3 -ATOM 4267 C CA . VAL A 1 66 ? 0.151 -2.183 2.572 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 3 -ATOM 4268 C C . VAL A 1 66 ? 1.016 -2.122 1.321 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 3 -ATOM 4269 O O . VAL A 1 66 ? 0.722 -2.786 0.310 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 3 -ATOM 4270 C CB . VAL A 1 66 ? 0.321 -3.568 3.271 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 3 -ATOM 4271 C CG1 . VAL A 1 66 ? 1.754 -3.775 3.747 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 3 -ATOM 4272 C CG2 . VAL A 1 66 ? -0.641 -3.704 4.443 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 3 -ATOM 4273 H H . VAL A 1 66 ? -1.673 -2.562 1.600 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 3 -ATOM 4274 H HA . VAL A 1 66 ? 0.462 -1.403 3.251 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 3 -ATOM 4275 H HB . VAL A 1 66 ? 0.090 -4.339 2.552 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 3 -ATOM 4276 H HG11 . VAL A 1 66 ? 2.437 -3.705 2.912 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 3 -ATOM 4277 H HG12 . VAL A 1 66 ? 1.837 -4.747 4.208 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 3 -ATOM 4278 H HG13 . VAL A 1 66 ? 2.004 -3.027 4.486 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 3 -ATOM 4279 H HG21 . VAL A 1 66 ? -0.438 -2.927 5.165 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 3 -ATOM 4280 H HG22 . VAL A 1 66 ? -0.515 -4.670 4.909 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 3 -ATOM 4281 H HG23 . VAL A 1 66 ? -1.656 -3.604 4.088 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 3 -ATOM 4282 N N . TYR A 1 67 ? 2.050 -1.334 1.380 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 3 -ATOM 4283 C CA . TYR A 1 67 ? 2.935 -1.140 0.258 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 3 -ATOM 4284 C C . TYR A 1 67 ? 4.377 -1.178 0.715 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 3 -ATOM 4285 O O . TYR A 1 67 ? 4.654 -0.976 1.896 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 3 -ATOM 4286 C CB . TYR A 1 67 ? 2.633 0.206 -0.445 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 3 -ATOM 4287 C CG . TYR A 1 67 ? 2.719 1.442 0.442 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 3 -ATOM 4288 C CD1 . TYR A 1 67 ? 3.941 1.960 0.863 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 3 -ATOM 4289 C CD2 . TYR A 1 67 ? 1.576 2.090 0.846 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 3 -ATOM 4290 C CE1 . TYR A 1 67 ? 4.003 3.076 1.657 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 3 -ATOM 4291 C CE2 . TYR A 1 67 ? 1.633 3.205 1.641 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 3 -ATOM 4292 C CZ . TYR A 1 67 ? 2.845 3.693 2.044 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 3 -ATOM 4293 O OH . TYR A 1 67 ? 2.899 4.798 2.848 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 3 -ATOM 4294 H H . TYR A 1 67 ? 2.253 -0.869 2.223 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 3 -ATOM 4295 H HA . TYR A 1 67 ? 2.760 -1.940 -0.447 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 3 -ATOM 4296 H HB2 . TYR A 1 67 ? 3.318 0.349 -1.268 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 3 -ATOM 4297 H HB3 . TYR A 1 67 ? 1.628 0.160 -0.840 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 3 -ATOM 4298 H HD1 . TYR A 1 67 ? 4.853 1.469 0.555 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 3 -ATOM 4299 H HD2 . TYR A 1 67 ? 0.620 1.703 0.530 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 3 -ATOM 4300 H HE1 . TYR A 1 67 ? 4.961 3.462 1.974 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 3 -ATOM 4301 H HE2 . TYR A 1 67 ? 0.721 3.700 1.937 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 3 -ATOM 4302 H HH . TYR A 1 67 ? 3.598 5.371 2.522 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 3 -ATOM 4303 N N . GLN A 1 68 ? 5.273 -1.446 -0.190 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 3 -ATOM 4304 C CA . GLN A 1 68 ? 6.679 -1.400 0.117 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 3 -ATOM 4305 C C . GLN A 1 68 ? 7.315 -0.266 -0.635 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 3 -ATOM 4306 O O . GLN A 1 68 ? 6.970 0.003 -1.794 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 3 -ATOM 4307 C CB . GLN A 1 68 ? 7.405 -2.721 -0.196 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 3 -ATOM 4308 C CG . GLN A 1 68 ? 7.322 -3.171 -1.654 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 3 -ATOM 4309 C CD . GLN A 1 68 ? 8.093 -4.451 -1.941 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 3 -ATOM 4310 O OE1 . GLN A 1 68 ? 7.719 -5.227 -2.823 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 3 -ATOM 4311 N NE2 . GLN A 1 68 ? 9.180 -4.676 -1.233 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 3 -ATOM 4312 H H . GLN A 1 68 ? 4.985 -1.661 -1.107 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 3 -ATOM 4313 H HA . GLN A 1 68 ? 6.773 -1.186 1.170 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 3 -ATOM 4314 H HB2 . GLN A 1 68 ? 8.448 -2.585 0.047 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 3 -ATOM 4315 H HB3 . GLN A 1 68 ? 7.003 -3.496 0.436 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 3 -ATOM 4316 H HG2 . GLN A 1 68 ? 6.286 -3.335 -1.908 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 3 -ATOM 4317 H HG3 . GLN A 1 68 ? 7.716 -2.383 -2.279 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 3 -ATOM 4318 H HE21 . GLN A 1 68 ? 9.462 -4.026 -0.557 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 3 -ATOM 4319 H HE22 . GLN A 1 68 ? 9.674 -5.503 -1.420 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 3 -ATOM 4320 N N . VAL A 1 69 ? 8.195 0.419 0.009 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 3 -ATOM 4321 C CA . VAL A 1 69 ? 8.909 1.478 -0.622 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 3 -ATOM 4322 C C . VAL A 1 69 ? 10.196 0.916 -1.163 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 3 -ATOM 4323 O O . VAL A 1 69 ? 11.071 0.495 -0.405 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 3 -ATOM 4324 C CB . VAL A 1 69 ? 9.194 2.639 0.366 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 3 -ATOM 4325 C CG1 . VAL A 1 69 ? 10.077 3.707 -0.268 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 3 -ATOM 4326 C CG2 . VAL A 1 69 ? 7.888 3.259 0.823 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 3 -ATOM 4327 H H . VAL A 1 69 ? 8.393 0.191 0.946 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 3 -ATOM 4328 H HA . VAL A 1 69 ? 8.310 1.848 -1.442 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 3 -ATOM 4329 H HB . VAL A 1 69 ? 9.698 2.240 1.233 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 3 -ATOM 4330 H HG11 . VAL A 1 69 ? 11.015 3.256 -0.557 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 3 -ATOM 4331 H HG12 . VAL A 1 69 ? 10.262 4.483 0.461 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 3 -ATOM 4332 H HG13 . VAL A 1 69 ? 9.588 4.123 -1.135 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 3 -ATOM 4333 H HG21 . VAL A 1 69 ? 8.098 4.029 1.550 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 3 -ATOM 4334 H HG22 . VAL A 1 69 ? 7.264 2.497 1.268 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 3 -ATOM 4335 H HG23 . VAL A 1 69 ? 7.375 3.693 -0.023 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 3 -ATOM 4336 N N . ILE A 1 70 ? 10.303 0.864 -2.454 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 3 -ATOM 4337 C CA . ILE A 1 70 ? 11.485 0.363 -3.059 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 3 -ATOM 4338 C C . ILE A 1 70 ? 12.308 1.566 -3.445 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 3 -ATOM 4339 O O . ILE A 1 70 ? 12.098 2.174 -4.493 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 3 -ATOM 4340 C CB . ILE A 1 70 ? 11.169 -0.506 -4.310 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 3 -ATOM 4341 C CG1 . ILE A 1 70 ? 10.086 -1.546 -3.970 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 3 -ATOM 4342 C CG2 . ILE A 1 70 ? 12.434 -1.216 -4.781 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 3 -ATOM 4343 C CD1 . ILE A 1 70 ? 9.602 -2.352 -5.158 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 3 -ATOM 4344 H H . ILE A 1 70 ? 9.586 1.189 -3.044 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 3 -ATOM 4345 H HA . ILE A 1 70 ? 12.017 -0.226 -2.328 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 3 -ATOM 4346 H HB . ILE A 1 70 ? 10.808 0.134 -5.102 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 3 -ATOM 4347 H HG12 . ILE A 1 70 ? 10.481 -2.239 -3.242 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 3 -ATOM 4348 H HG13 . ILE A 1 70 ? 9.237 -1.033 -3.542 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 3 -ATOM 4349 H HG21 . ILE A 1 70 ? 12.795 -1.864 -3.997 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 3 -ATOM 4350 H HG22 . ILE A 1 70 ? 13.191 -0.484 -5.017 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 3 -ATOM 4351 H HG23 . ILE A 1 70 ? 12.210 -1.801 -5.659 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 3 -ATOM 4352 H HD11 . ILE A 1 70 ? 10.437 -2.863 -5.613 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 3 -ATOM 4353 H HD12 . ILE A 1 70 ? 9.145 -1.689 -5.879 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 3 -ATOM 4354 H HD13 . ILE A 1 70 ? 8.874 -3.077 -4.826 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 3 -ATOM 4355 N N . ASP A 1 71 ? 13.219 1.922 -2.582 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 3 -ATOM 4356 C CA . ASP A 1 71 ? 14.022 3.109 -2.723 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 3 -ATOM 4357 C C . ASP A 1 71 ? 15.039 2.948 -3.825 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 3 -ATOM 4358 O O . ASP A 1 71 ? 15.377 3.908 -4.518 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 3 -ATOM 4359 C CB . ASP A 1 71 ? 14.696 3.469 -1.385 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 3 -ATOM 4360 C CG . ASP A 1 71 ? 15.710 2.446 -0.884 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 3 -ATOM 4361 O OD1 . ASP A 1 71 ? 15.337 1.282 -0.644 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 3 -ATOM 4362 O OD2 . ASP A 1 71 ? 16.888 2.810 -0.675 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 3 -ATOM 4363 H H . ASP A 1 71 ? 13.398 1.358 -1.796 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 3 -ATOM 4364 H HA . ASP A 1 71 ? 13.358 3.916 -2.994 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 3 -ATOM 4365 H HB2 . ASP A 1 71 ? 15.214 4.403 -1.515 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 3 -ATOM 4366 H HB3 . ASP A 1 71 ? 13.930 3.590 -0.633 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 3 -ATOM 4367 N N . GLU A 1 72 ? 15.481 1.729 -4.021 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 3 -ATOM 4368 C CA . GLU A 1 72 ? 16.444 1.416 -5.053 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 3 -ATOM 4369 C C . GLU A 1 72 ? 15.825 1.551 -6.442 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 3 -ATOM 4370 O O . GLU A 1 72 ? 16.491 1.944 -7.388 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 3 -ATOM 4371 C CB . GLU A 1 72 ? 17.028 0.029 -4.839 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 3 -ATOM 4372 C CG . GLU A 1 72 ? 17.760 -0.114 -3.516 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 3 -ATOM 4373 C CD . GLU A 1 72 ? 18.354 -1.480 -3.311 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 3 -ATOM 4374 O OE1 . GLU A 1 72 ? 17.670 -2.370 -2.756 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 3 -ATOM 4375 O OE2 . GLU A 1 72 ? 19.540 -1.683 -3.682 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 3 -ATOM 4376 H H . GLU A 1 72 ? 15.156 1.014 -3.431 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 3 -ATOM 4377 H HA . GLU A 1 72 ? 17.237 2.144 -4.970 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 3 -ATOM 4378 H HB2 . GLU A 1 72 ? 16.225 -0.693 -4.864 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 3 -ATOM 4379 H HB3 . GLU A 1 72 ? 17.723 -0.185 -5.638 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 3 -ATOM 4380 H HG2 . GLU A 1 72 ? 18.560 0.610 -3.490 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 3 -ATOM 4381 H HG3 . GLU A 1 72 ? 17.069 0.093 -2.711 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 3 -ATOM 4382 N N . LYS A 1 73 ? 14.540 1.259 -6.549 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 3 -ATOM 4383 C CA . LYS A 1 73 ? 13.849 1.368 -7.833 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 3 -ATOM 4384 C C . LYS A 1 73 ? 13.052 2.662 -7.925 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 3 -ATOM 4385 O O . LYS A 1 73 ? 12.458 2.962 -8.960 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 3 -ATOM 4386 C CB . LYS A 1 73 ? 12.948 0.157 -8.100 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 3 -ATOM 4387 C CG . LYS A 1 73 ? 13.695 -1.157 -8.234 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 3 -ATOM 4388 C CD . LYS A 1 73 ? 12.748 -2.310 -8.528 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 3 -ATOM 4389 C CE . LYS A 1 73 ? 13.505 -3.616 -8.714 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 3 -ATOM 4390 N NZ . LYS A 1 73 ? 12.599 -4.740 -9.041 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 3 -ATOM 4391 H H . LYS A 1 73 ? 14.058 0.968 -5.748 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 3 -ATOM 4392 H HA . LYS A 1 73 ? 14.617 1.404 -8.591 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 3 -ATOM 4393 H HB2 . LYS A 1 73 ? 12.254 0.061 -7.280 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 3 -ATOM 4394 H HB3 . LYS A 1 73 ? 12.394 0.330 -9.012 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 3 -ATOM 4395 H HG2 . LYS A 1 73 ? 14.414 -1.076 -9.035 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 3 -ATOM 4396 H HG3 . LYS A 1 73 ? 14.210 -1.353 -7.305 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 3 -ATOM 4397 H HD2 . LYS A 1 73 ? 12.063 -2.420 -7.701 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 3 -ATOM 4398 H HD3 . LYS A 1 73 ? 12.189 -2.092 -9.425 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 3 -ATOM 4399 H HE2 . LYS A 1 73 ? 14.219 -3.496 -9.516 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 3 -ATOM 4400 H HE3 . LYS A 1 73 ? 14.033 -3.846 -7.801 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 3 -ATOM 4401 H HZ1 . LYS A 1 73 ? 12.082 -4.564 -9.925 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 3 -ATOM 4402 H HZ2 . LYS A 1 73 ? 11.905 -4.886 -8.281 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 3 -ATOM 4403 H HZ3 . LYS A 1 73 ? 13.156 -5.611 -9.158 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 3 -ATOM 4404 N N . VAL A 1 74 ? 13.060 3.425 -6.825 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 3 -ATOM 4405 C CA . VAL A 1 74 ? 12.385 4.737 -6.720 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 3 -ATOM 4406 C C . VAL A 1 74 ? 10.834 4.566 -6.860 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 3 -ATOM 4407 O O . VAL A 1 74 ? 10.092 5.498 -7.171 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 3 -ATOM 4408 C CB . VAL A 1 74 ? 12.968 5.765 -7.785 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 3 -ATOM 4409 C CG1 . VAL A 1 74 ? 12.447 7.186 -7.575 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 3 -ATOM 4410 C CG2 . VAL A 1 74 ? 14.495 5.774 -7.753 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 3 -ATOM 4411 H H . VAL A 1 74 ? 13.538 3.089 -6.041 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 3 -ATOM 4412 H HA . VAL A 1 74 ? 12.594 5.101 -5.724 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 3 -ATOM 4413 H HB . VAL A 1 74 ? 12.657 5.434 -8.765 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 3 -ATOM 4414 H HG11 . VAL A 1 74 ? 12.728 7.530 -6.590 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 3 -ATOM 4415 H HG12 . VAL A 1 74 ? 11.370 7.188 -7.666 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 3 -ATOM 4416 H HG13 . VAL A 1 74 ? 12.874 7.841 -8.321 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 3 -ATOM 4417 H HG21 . VAL A 1 74 ? 14.868 4.785 -7.976 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 3 -ATOM 4418 H HG22 . VAL A 1 74 ? 14.829 6.068 -6.768 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 3 -ATOM 4419 H HG23 . VAL A 1 74 ? 14.868 6.475 -8.485 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 3 -ATOM 4420 N N . VAL A 1 75 ? 10.347 3.398 -6.536 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 3 -ATOM 4421 C CA . VAL A 1 75 ? 8.939 3.120 -6.695 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 3 -ATOM 4422 C C . VAL A 1 75 ? 8.348 2.514 -5.427 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 3 -ATOM 4423 O O . VAL A 1 75 ? 8.979 1.717 -4.742 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 3 -ATOM 4424 C CB . VAL A 1 75 ? 8.659 2.205 -7.948 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 3 -ATOM 4425 C CG1 . VAL A 1 75 ? 9.358 0.862 -7.838 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 3 -ATOM 4426 C CG2 . VAL A 1 75 ? 7.162 2.008 -8.193 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 3 -ATOM 4427 H H . VAL A 1 75 ? 10.933 2.717 -6.141 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 3 -ATOM 4428 H HA . VAL A 1 75 ? 8.446 4.068 -6.857 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 3 -ATOM 4429 H HB . VAL A 1 75 ? 9.077 2.708 -8.809 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 3 -ATOM 4430 H HG11 . VAL A 1 75 ? 10.422 1.023 -7.775 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 3 -ATOM 4431 H HG12 . VAL A 1 75 ? 9.131 0.273 -8.715 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 3 -ATOM 4432 H HG13 . VAL A 1 75 ? 9.012 0.348 -6.953 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 3 -ATOM 4433 H HG21 . VAL A 1 75 ? 6.718 1.546 -7.324 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 3 -ATOM 4434 H HG22 . VAL A 1 75 ? 7.018 1.366 -9.049 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 3 -ATOM 4435 H HG23 . VAL A 1 75 ? 6.685 2.959 -8.374 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 3 -ATOM 4436 N N . VAL A 1 76 ? 7.182 2.951 -5.098 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 3 -ATOM 4437 C CA . VAL A 1 76 ? 6.426 2.439 -4.011 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 3 -ATOM 4438 C C . VAL A 1 76 ? 5.434 1.446 -4.590 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 3 -ATOM 4439 O O . VAL A 1 76 ? 4.583 1.804 -5.413 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 3 -ATOM 4440 C CB . VAL A 1 76 ? 5.687 3.573 -3.266 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 3 -ATOM 4441 C CG1 . VAL A 1 76 ? 4.867 3.022 -2.130 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 3 -ATOM 4442 C CG2 . VAL A 1 76 ? 6.676 4.601 -2.745 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 3 -ATOM 4443 H H . VAL A 1 76 ? 6.771 3.668 -5.628 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 3 -ATOM 4444 H HA . VAL A 1 76 ? 7.096 1.928 -3.333 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 3 -ATOM 4445 H HB . VAL A 1 76 ? 5.025 4.066 -3.961 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 3 -ATOM 4446 H HG11 . VAL A 1 76 ? 4.138 2.326 -2.516 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 3 -ATOM 4447 H HG12 . VAL A 1 76 ? 4.358 3.829 -1.624 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 3 -ATOM 4448 H HG13 . VAL A 1 76 ? 5.516 2.510 -1.435 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 3 -ATOM 4449 H HG21 . VAL A 1 76 ? 6.148 5.376 -2.210 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 3 -ATOM 4450 H HG22 . VAL A 1 76 ? 7.206 5.037 -3.579 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 3 -ATOM 4451 H HG23 . VAL A 1 76 ? 7.383 4.120 -2.087 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 3 -ATOM 4452 N N . PHE A 1 77 ? 5.566 0.226 -4.192 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 3 -ATOM 4453 C CA . PHE A 1 77 ? 4.804 -0.850 -4.753 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 3 -ATOM 4454 C C . PHE A 1 77 ? 3.751 -1.325 -3.763 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 3 -ATOM 4455 O O . PHE A 1 77 ? 4.086 -1.810 -2.679 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 3 -ATOM 4456 C CB . PHE A 1 77 ? 5.776 -1.984 -5.112 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 3 -ATOM 4457 C CG . PHE A 1 77 ? 5.172 -3.175 -5.795 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 3 -ATOM 4458 C CD1 . PHE A 1 77 ? 4.959 -3.167 -7.162 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 3 -ATOM 4459 C CD2 . PHE A 1 77 ? 4.849 -4.315 -5.077 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 3 -ATOM 4460 C CE1 . PHE A 1 77 ? 4.435 -4.269 -7.800 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 3 -ATOM 4461 C CE2 . PHE A 1 77 ? 4.319 -5.417 -5.708 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 3 -ATOM 4462 C CZ . PHE A 1 77 ? 4.114 -5.394 -7.073 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 3 -ATOM 4463 H H . PHE A 1 77 ? 6.194 0.034 -3.457 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 3 -ATOM 4464 H HA . PHE A 1 77 ? 4.330 -0.507 -5.659 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 3 -ATOM 4465 H HB2 . PHE A 1 77 ? 6.536 -1.591 -5.771 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 3 -ATOM 4466 H HB3 . PHE A 1 77 ? 6.254 -2.323 -4.205 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 3 -ATOM 4467 H HD1 . PHE A 1 77 ? 5.208 -2.282 -7.730 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 3 -ATOM 4468 H HD2 . PHE A 1 77 ? 5.011 -4.331 -4.009 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 3 -ATOM 4469 H HE1 . PHE A 1 77 ? 4.274 -4.252 -8.868 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 3 -ATOM 4470 H HE2 . PHE A 1 77 ? 4.068 -6.298 -5.136 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 3 -ATOM 4471 H HZ . PHE A 1 77 ? 3.701 -6.260 -7.570 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 3 -ATOM 4472 N N . VAL A 1 78 ? 2.493 -1.137 -4.111 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 3 -ATOM 4473 C CA . VAL A 1 78 ? 1.391 -1.616 -3.302 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 3 -ATOM 4474 C C . VAL A 1 78 ? 1.321 -3.120 -3.418 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 3 -ATOM 4475 O O . VAL A 1 78 ? 1.172 -3.668 -4.519 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 3 -ATOM 4476 C CB . VAL A 1 78 ? 0.036 -0.978 -3.714 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 3 -ATOM 4477 C CG1 . VAL A 1 78 ? -1.128 -1.546 -2.893 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 3 -ATOM 4478 C CG2 . VAL A 1 78 ? 0.104 0.539 -3.580 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 3 -ATOM 4479 H H . VAL A 1 78 ? 2.307 -0.654 -4.948 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 3 -ATOM 4480 H HA . VAL A 1 78 ? 1.610 -1.364 -2.275 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 3 -ATOM 4481 H HB . VAL A 1 78 ? -0.151 -1.217 -4.748 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 3 -ATOM 4482 H HG11 . VAL A 1 78 ? -0.942 -1.390 -1.841 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 3 -ATOM 4483 H HG12 . VAL A 1 78 ? -1.222 -2.604 -3.089 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 3 -ATOM 4484 H HG13 . VAL A 1 78 ? -2.048 -1.053 -3.173 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 3 -ATOM 4485 H HG21 . VAL A 1 78 ? -0.857 0.964 -3.830 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 3 -ATOM 4486 H HG22 . VAL A 1 78 ? 0.851 0.920 -4.261 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 3 -ATOM 4487 H HG23 . VAL A 1 78 ? 0.373 0.808 -2.570 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 3 -ATOM 4488 N N . ILE A 1 79 ? 1.425 -3.767 -2.295 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 3 -ATOM 4489 C CA . ILE A 1 79 ? 1.511 -5.200 -2.244 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 3 -ATOM 4490 C C . ILE A 1 79 ? 0.145 -5.802 -1.998 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 3 -ATOM 4491 O O . ILE A 1 79 ? -0.243 -6.790 -2.616 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 3 -ATOM 4492 C CB . ILE A 1 79 ? 2.421 -5.614 -1.068 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 3 -ATOM 4493 C CG1 . ILE A 1 79 ? 3.767 -4.910 -1.156 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 3 -ATOM 4494 C CG2 . ILE A 1 79 ? 2.619 -7.122 -1.045 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 3 -ATOM 4495 C CD1 . ILE A 1 79 ? 4.628 -5.135 0.052 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 3 -ATOM 4496 H H . ILE A 1 79 ? 1.437 -3.265 -1.450 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 3 -ATOM 4497 H HA . ILE A 1 79 ? 1.948 -5.579 -3.155 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 3 -ATOM 4498 H HB . ILE A 1 79 ? 1.937 -5.322 -0.147 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 3 -ATOM 4499 H HG12 . ILE A 1 79 ? 4.301 -5.283 -2.018 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 3 -ATOM 4500 H HG13 . ILE A 1 79 ? 3.610 -3.848 -1.267 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 3 -ATOM 4501 H HG21 . ILE A 1 79 ? 3.238 -7.392 -0.202 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 3 -ATOM 4502 H HG22 . ILE A 1 79 ? 3.103 -7.432 -1.960 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 3 -ATOM 4503 H HG23 . ILE A 1 79 ? 1.659 -7.611 -0.962 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 3 -ATOM 4504 H HD11 . ILE A 1 79 ? 5.587 -4.667 -0.103 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 3 -ATOM 4505 H HD12 . ILE A 1 79 ? 4.757 -6.198 0.193 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 3 -ATOM 4506 H HD13 . ILE A 1 79 ? 4.156 -4.715 0.927 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 3 -ATOM 4507 N N . SER A 1 80 ? -0.590 -5.206 -1.098 1.00 0.00 ? ? ? ? ? ? 77 SER A N 3 -ATOM 4508 C CA . SER A 1 80 ? -1.865 -5.737 -0.706 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 3 -ATOM 4509 C C . SER A 1 80 ? -2.784 -4.618 -0.277 1.00 0.00 ? ? ? ? ? ? 77 SER A C 3 -ATOM 4510 O O . SER A 1 80 ? -2.323 -3.575 0.209 1.00 0.00 ? ? ? ? ? ? 77 SER A O 3 -ATOM 4511 C CB . SER A 1 80 ? -1.667 -6.737 0.442 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 3 -ATOM 4512 O OG . SER A 1 80 ? -0.768 -7.766 0.056 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 3 -ATOM 4513 H H . SER A 1 80 ? -0.285 -4.374 -0.673 1.00 0.00 ? ? ? ? ? ? 77 SER A H 3 -ATOM 4514 H HA . SER A 1 80 ? -2.295 -6.260 -1.546 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 3 -ATOM 4515 H HB2 . SER A 1 80 ? -1.261 -6.222 1.300 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 3 -ATOM 4516 H HB3 . SER A 1 80 ? -2.617 -7.181 0.702 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 3 -ATOM 4517 H HG . SER A 1 80 ? -0.590 -7.663 -0.888 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 3 -ATOM 4518 N N . VAL A 1 81 ? -4.062 -4.816 -0.469 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 3 -ATOM 4519 C CA . VAL A 1 81 ? -5.044 -3.842 -0.103 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 3 -ATOM 4520 C C . VAL A 1 81 ? -6.335 -4.563 0.308 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 3 -ATOM 4521 O O . VAL A 1 81 ? -6.727 -5.572 -0.314 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 3 -ATOM 4522 C CB . VAL A 1 81 ? -5.282 -2.813 -1.263 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 3 -ATOM 4523 C CG1 . VAL A 1 81 ? -5.842 -3.464 -2.520 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 3 -ATOM 4524 C CG2 . VAL A 1 81 ? -6.146 -1.651 -0.815 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 3 -ATOM 4525 H H . VAL A 1 81 ? -4.392 -5.650 -0.866 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 3 -ATOM 4526 H HA . VAL A 1 81 ? -4.663 -3.318 0.762 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 3 -ATOM 4527 H HB . VAL A 1 81 ? -4.311 -2.422 -1.529 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 3 -ATOM 4528 H HG11 . VAL A 1 81 ? -6.788 -3.931 -2.287 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 3 -ATOM 4529 H HG12 . VAL A 1 81 ? -5.151 -4.212 -2.881 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 3 -ATOM 4530 H HG13 . VAL A 1 81 ? -5.989 -2.715 -3.283 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 3 -ATOM 4531 H HG21 . VAL A 1 81 ? -5.654 -1.142 0.001 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 3 -ATOM 4532 H HG22 . VAL A 1 81 ? -7.110 -2.014 -0.493 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 3 -ATOM 4533 H HG23 . VAL A 1 81 ? -6.264 -0.965 -1.641 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 3 -ATOM 4534 N N . GLY A 1 82 ? -6.935 -4.113 1.374 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 3 -ATOM 4535 C CA . GLY A 1 82 ? -8.142 -4.718 1.861 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 3 -ATOM 4536 C C . GLY A 1 82 ? -8.397 -4.344 3.293 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 3 -ATOM 4537 O O . GLY A 1 82 ? -8.298 -3.182 3.647 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 3 -ATOM 4538 H H . GLY A 1 82 ? -6.558 -3.349 1.872 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 3 -ATOM 4539 H HA2 . GLY A 1 82 ? -8.966 -4.368 1.257 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 3 -ATOM 4540 H HA3 . GLY A 1 82 ? -8.078 -5.791 1.779 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 3 -ATOM 4541 N N . LYS A 1 83 ? -8.670 -5.306 4.126 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 3 -ATOM 4542 C CA . LYS A 1 83 ? -9.012 -5.027 5.509 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 3 -ATOM 4543 C C . LYS A 1 83 ? -7.948 -5.549 6.446 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 3 -ATOM 4544 O O . LYS A 1 83 ? -7.096 -6.349 6.060 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 3 -ATOM 4545 C CB . LYS A 1 83 ? -10.335 -5.694 5.891 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 3 -ATOM 4546 C CG . LYS A 1 83 ? -11.500 -5.400 4.965 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 3 -ATOM 4547 C CD . LYS A 1 83 ? -12.814 -5.963 5.508 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 3 -ATOM 4548 C CE . LYS A 1 83 ? -12.750 -7.467 5.806 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 3 -ATOM 4549 N NZ . LYS A 1 83 ? -12.412 -8.282 4.617 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 3 -ATOM 4550 H H . LYS A 1 83 ? -8.611 -6.245 3.817 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 3 -ATOM 4551 H HA . LYS A 1 83 ? -9.118 -3.961 5.637 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 3 -ATOM 4552 H HB2 . LYS A 1 83 ? -10.181 -6.762 5.894 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 3 -ATOM 4553 H HB3 . LYS A 1 83 ? -10.608 -5.382 6.888 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 3 -ATOM 4554 H HG2 . LYS A 1 83 ? -11.596 -4.331 4.855 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 3 -ATOM 4555 H HG3 . LYS A 1 83 ? -11.300 -5.844 4.001 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 3 -ATOM 4556 H HD2 . LYS A 1 83 ? -13.057 -5.445 6.425 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 3 -ATOM 4557 H HD3 . LYS A 1 83 ? -13.594 -5.781 4.783 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 3 -ATOM 4558 H HE2 . LYS A 1 83 ? -11.997 -7.633 6.562 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 3 -ATOM 4559 H HE3 . LYS A 1 83 ? -13.711 -7.778 6.190 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 3 -ATOM 4560 H HZ1 . LYS A 1 83 ? -12.601 -9.282 4.819 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 3 -ATOM 4561 H HZ2 . LYS A 1 83 ? -11.389 -8.247 4.397 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 3 -ATOM 4562 H HZ3 . LYS A 1 83 ? -12.964 -7.999 3.784 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 3 -ATOM 4563 N N . ALA A 1 84 ? -8.005 -5.112 7.667 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 3 -ATOM 4564 C CA . ALA A 1 84 ? -7.157 -5.644 8.686 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 3 -ATOM 4565 C C . ALA A 1 84 ? -8.009 -6.022 9.855 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 3 -ATOM 4566 O O . ALA A 1 84 ? -8.067 -5.332 10.871 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 3 -ATOM 4567 C CB . ALA A 1 84 ? -6.031 -4.708 9.084 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 3 -ATOM 4568 H H . ALA A 1 84 ? -8.662 -4.419 7.902 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 3 -ATOM 4569 H HA . ALA A 1 84 ? -6.736 -6.556 8.286 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 3 -ATOM 4570 H HB1 . ALA A 1 84 ? -6.450 -3.813 9.519 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 3 -ATOM 4571 H HB2 . ALA A 1 84 ? -5.446 -4.450 8.214 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 3 -ATOM 4572 H HB3 . ALA A 1 84 ? -5.402 -5.199 9.813 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 3 -ATOM 4573 N N . GLU A 1 85 ? -8.761 -7.059 9.645 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 3 -ATOM 4574 C CA . GLU A 1 85 ? -9.643 -7.607 10.642 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 3 -ATOM 4575 C C . GLU A 1 85 ? -8.833 -8.335 11.699 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 3 -ATOM 4576 O O . GLU A 1 85 ? -9.090 -8.230 12.896 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 3 -ATOM 4577 C CB . GLU A 1 85 ? -10.732 -8.497 9.978 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 3 -ATOM 4578 C CG . GLU A 1 85 ? -10.329 -9.183 8.641 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 3 -ATOM 4579 C CD . GLU A 1 85 ? -9.157 -10.133 8.743 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 3 -ATOM 4580 O OE1 . GLU A 1 85 ? -7.993 -9.670 8.698 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 3 -ATOM 4581 O OE2 . GLU A 1 85 ? -9.377 -11.344 8.881 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 3 -ATOM 4582 H H . GLU A 1 85 ? -8.705 -7.507 8.775 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 3 -ATOM 4583 H HA . GLU A 1 85 ? -10.124 -6.767 11.123 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 3 -ATOM 4584 H HB2 . GLU A 1 85 ? -11.011 -9.272 10.674 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 3 -ATOM 4585 H HB3 . GLU A 1 85 ? -11.600 -7.882 9.787 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 3 -ATOM 4586 H HG2 . GLU A 1 85 ? -11.175 -9.749 8.281 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 3 -ATOM 4587 H HG3 . GLU A 1 85 ? -10.093 -8.417 7.917 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 3 -ATOM 4588 N N . ALA A 1 86 ? -7.846 -9.024 11.237 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 3 -ATOM 4589 C CA . ALA A 1 86 ? -6.903 -9.702 12.042 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 3 -ATOM 4590 C C . ALA A 1 86 ? -5.562 -9.619 11.346 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 3 -ATOM 4591 O O . ALA A 1 86 ? -4.673 -8.901 11.795 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 3 -ATOM 4592 C CB . ALA A 1 86 ? -7.318 -11.151 12.267 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 3 -ATOM 4593 H H . ALA A 1 86 ? -7.754 -9.097 10.256 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 3 -ATOM 4594 H HA . ALA A 1 86 ? -6.843 -9.197 12.995 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 3 -ATOM 4595 H HB1 . ALA A 1 86 ? -7.390 -11.657 11.315 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 3 -ATOM 4596 H HB2 . ALA A 1 86 ? -8.278 -11.178 12.762 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 3 -ATOM 4597 H HB3 . ALA A 1 86 ? -6.583 -11.647 12.883 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 3 -ATOM 4598 N N . SER A 1 87 ? -5.444 -10.278 10.198 1.00 0.00 ? ? ? ? ? ? 84 SER A N 3 -ATOM 4599 C CA . SER A 1 87 ? -4.180 -10.317 9.484 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 3 -ATOM 4600 C C . SER A 1 87 ? -4.384 -10.477 7.957 1.00 0.00 ? ? ? ? ? ? 84 SER A C 3 -ATOM 4601 O O . SER A 1 87 ? -3.460 -10.912 7.264 1.00 0.00 ? ? ? ? ? ? 84 SER A O 3 -ATOM 4602 C CB . SER A 1 87 ? -3.319 -11.489 10.019 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 3 -ATOM 4603 O OG . SER A 1 87 ? -3.117 -11.406 11.435 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 3 -ATOM 4604 H H . SER A 1 87 ? -6.219 -10.745 9.815 1.00 0.00 ? ? ? ? ? ? 84 SER A H 3 -ATOM 4605 H HA . SER A 1 87 ? -3.655 -9.396 9.685 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 3 -ATOM 4606 H HB2 . SER A 1 87 ? -3.811 -12.425 9.805 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 3 -ATOM 4607 H HB3 . SER A 1 87 ? -2.355 -11.475 9.531 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 3 -ATOM 4608 H HG . SER A 1 87 ? -2.752 -12.254 11.715 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 3 -ATOM 4609 N N . GLU A 1 88 ? -5.542 -10.029 7.424 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 3 -ATOM 4610 C CA . GLU A 1 88 ? -5.882 -10.216 5.987 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 3 -ATOM 4611 C C . GLU A 1 88 ? -4.811 -9.630 5.057 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 3 -ATOM 4612 O O . GLU A 1 88 ? -4.300 -10.324 4.169 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 3 -ATOM 4613 C CB . GLU A 1 88 ? -7.219 -9.530 5.661 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 3 -ATOM 4614 C CG . GLU A 1 88 ? -7.644 -9.665 4.207 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 3 -ATOM 4615 C CD . GLU A 1 88 ? -8.811 -8.789 3.836 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 3 -ATOM 4616 O OE1 . GLU A 1 88 ? -9.951 -9.087 4.221 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 3 -ATOM 4617 O OE2 . GLU A 1 88 ? -8.620 -7.811 3.096 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 3 -ATOM 4618 H H . GLU A 1 88 ? -6.228 -9.613 7.998 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 3 -ATOM 4619 H HA . GLU A 1 88 ? -5.984 -11.275 5.792 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 3 -ATOM 4620 H HB2 . GLU A 1 88 ? -7.993 -9.952 6.284 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 3 -ATOM 4621 H HB3 . GLU A 1 88 ? -7.128 -8.477 5.887 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 3 -ATOM 4622 H HG2 . GLU A 1 88 ? -6.808 -9.394 3.579 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 3 -ATOM 4623 H HG3 . GLU A 1 88 ? -7.909 -10.695 4.020 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 3 -ATOM 4624 N N . VAL A 1 89 ? -4.459 -8.379 5.278 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 3 -ATOM 4625 C CA . VAL A 1 89 ? -3.464 -7.720 4.440 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 3 -ATOM 4626 C C . VAL A 1 89 ? -2.042 -8.046 4.858 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 3 -ATOM 4627 O O . VAL A 1 89 ? -1.106 -7.750 4.143 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 3 -ATOM 4628 C CB . VAL A 1 89 ? -3.654 -6.182 4.384 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 3 -ATOM 4629 C CG1 . VAL A 1 89 ? -4.941 -5.832 3.667 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 3 -ATOM 4630 C CG2 . VAL A 1 89 ? -3.645 -5.575 5.784 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 3 -ATOM 4631 H H . VAL A 1 89 ? -4.910 -7.878 5.990 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 3 -ATOM 4632 H HA . VAL A 1 89 ? -3.604 -8.106 3.440 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 3 -ATOM 4633 H HB . VAL A 1 89 ? -2.831 -5.762 3.823 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 3 -ATOM 4634 H HG11 . VAL A 1 89 ? -5.776 -6.271 4.192 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 3 -ATOM 4635 H HG12 . VAL A 1 89 ? -4.910 -6.215 2.657 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 3 -ATOM 4636 H HG13 . VAL A 1 89 ? -5.059 -4.758 3.641 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 3 -ATOM 4637 H HG21 . VAL A 1 89 ? -4.457 -5.992 6.363 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 3 -ATOM 4638 H HG22 . VAL A 1 89 ? -3.762 -4.503 5.719 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 3 -ATOM 4639 H HG23 . VAL A 1 89 ? -2.707 -5.804 6.268 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 3 -ATOM 4640 N N . TYR A 1 90 ? -1.887 -8.681 5.994 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 3 -ATOM 4641 C CA . TYR A 1 90 ? -0.559 -8.978 6.502 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 3 -ATOM 4642 C C . TYR A 1 90 ? -0.030 -10.259 5.916 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 3 -ATOM 4643 O O . TYR A 1 90 ? 1.100 -10.300 5.417 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 3 -ATOM 4644 C CB . TYR A 1 90 ? -0.540 -9.032 8.024 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 3 -ATOM 4645 C CG . TYR A 1 90 ? -0.790 -7.699 8.686 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 3 -ATOM 4646 C CD1 . TYR A 1 90 ? -2.079 -7.235 8.901 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 3 -ATOM 4647 C CD2 . TYR A 1 90 ? 0.271 -6.907 9.103 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 3 -ATOM 4648 C CE1 . TYR A 1 90 ? -2.303 -6.023 9.513 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 3 -ATOM 4649 C CE2 . TYR A 1 90 ? 0.053 -5.692 9.714 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 3 -ATOM 4650 C CZ . TYR A 1 90 ? -1.236 -5.256 9.915 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 3 -ATOM 4651 O OH . TYR A 1 90 ? -1.462 -4.052 10.532 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 3 -ATOM 4652 H H . TYR A 1 90 ? -2.682 -8.982 6.481 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 3 -ATOM 4653 H HA . TYR A 1 90 ? 0.086 -8.175 6.178 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 3 -ATOM 4654 H HB2 . TYR A 1 90 ? -1.303 -9.718 8.360 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 3 -ATOM 4655 H HB3 . TYR A 1 90 ? 0.424 -9.393 8.353 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 3 -ATOM 4656 H HD1 . TYR A 1 90 ? -2.916 -7.835 8.580 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 3 -ATOM 4657 H HD2 . TYR A 1 90 ? 1.281 -7.255 8.943 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 3 -ATOM 4658 H HE1 . TYR A 1 90 ? -3.313 -5.678 9.673 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 3 -ATOM 4659 H HE2 . TYR A 1 90 ? 0.893 -5.089 10.027 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 3 -ATOM 4660 H HH . TYR A 1 90 ? -2.225 -4.175 11.111 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 3 -ATOM 4661 N N . SER A 1 91 ? -0.856 -11.291 5.927 1.00 0.00 ? ? ? ? ? ? 88 SER A N 3 -ATOM 4662 C CA . SER A 1 91 ? -0.466 -12.572 5.391 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 3 -ATOM 4663 C C . SER A 1 91 ? -0.273 -12.469 3.889 1.00 0.00 ? ? ? ? ? ? 88 SER A C 3 -ATOM 4664 O O . SER A 1 91 ? 0.645 -13.071 3.312 1.00 0.00 ? ? ? ? ? ? 88 SER A O 3 -ATOM 4665 C CB . SER A 1 91 ? -1.519 -13.621 5.739 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 3 -ATOM 4666 O OG . SER A 1 91 ? -2.811 -13.213 5.294 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 3 -ATOM 4667 H H . SER A 1 91 ? -1.760 -11.211 6.308 1.00 0.00 ? ? ? ? ? ? 88 SER A H 3 -ATOM 4668 H HA . SER A 1 91 ? 0.474 -12.852 5.839 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 3 -ATOM 4669 H HB2 . SER A 1 91 ? -1.267 -14.547 5.246 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 3 -ATOM 4670 H HB3 . SER A 1 91 ? -1.546 -13.771 6.808 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 3 -ATOM 4671 H HG . SER A 1 91 ? -2.885 -13.481 4.369 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 3 -ATOM 4672 N N . GLU A 1 92 ? -1.120 -11.664 3.279 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 3 -ATOM 4673 C CA . GLU A 1 92 ? -1.096 -11.446 1.865 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 3 -ATOM 4674 C C . GLU A 1 92 ? 0.206 -10.740 1.480 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 3 -ATOM 4675 O O . GLU A 1 92 ? 0.894 -11.147 0.534 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 3 -ATOM 4676 C CB . GLU A 1 92 ? -2.306 -10.603 1.464 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 3 -ATOM 4677 C CG . GLU A 1 92 ? -2.569 -10.570 -0.022 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 3 -ATOM 4678 C CD . GLU A 1 92 ? -2.915 -11.932 -0.558 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 3 -ATOM 4679 O OE1 . GLU A 1 92 ? -4.105 -12.289 -0.581 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 3 -ATOM 4680 O OE2 . GLU A 1 92 ? -2.015 -12.671 -0.987 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 3 -ATOM 4681 H H . GLU A 1 92 ? -1.795 -11.204 3.821 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 3 -ATOM 4682 H HA . GLU A 1 92 ? -1.150 -12.401 1.365 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 3 -ATOM 4683 H HB2 . GLU A 1 92 ? -3.183 -10.999 1.954 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 3 -ATOM 4684 H HB3 . GLU A 1 92 ? -2.144 -9.590 1.805 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 3 -ATOM 4685 H HG2 . GLU A 1 92 ? -3.392 -9.898 -0.219 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 3 -ATOM 4686 H HG3 . GLU A 1 92 ? -1.683 -10.214 -0.524 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 3 -ATOM 4687 N N . ALA A 1 93 ? 0.566 -9.728 2.258 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 3 -ATOM 4688 C CA . ALA A 1 93 ? 1.761 -8.955 2.012 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 3 -ATOM 4689 C C . ALA A 1 93 ? 3.013 -9.809 2.127 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 3 -ATOM 4690 O O . ALA A 1 93 ? 3.771 -9.929 1.168 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 3 -ATOM 4691 C CB . ALA A 1 93 ? 1.843 -7.759 2.945 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 3 -ATOM 4692 H H . ALA A 1 93 ? -0.008 -9.481 3.014 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 3 -ATOM 4693 H HA . ALA A 1 93 ? 1.696 -8.585 0.999 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 3 -ATOM 4694 H HB1 . ALA A 1 93 ? 1.940 -8.108 3.962 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 3 -ATOM 4695 H HB2 . ALA A 1 93 ? 0.944 -7.167 2.854 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 3 -ATOM 4696 H HB3 . ALA A 1 93 ? 2.702 -7.155 2.688 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 3 -ATOM 4697 N N . VAL A 1 94 ? 3.199 -10.459 3.271 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 3 -ATOM 4698 C CA . VAL A 1 94 ? 4.415 -11.235 3.507 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 3 -ATOM 4699 C C . VAL A 1 94 ? 4.594 -12.386 2.491 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 3 -ATOM 4700 O O . VAL A 1 94 ? 5.718 -12.656 2.042 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 3 -ATOM 4701 C CB . VAL A 1 94 ? 4.558 -11.716 4.994 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 3 -ATOM 4702 C CG1 . VAL A 1 94 ? 3.414 -12.610 5.422 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 3 -ATOM 4703 C CG2 . VAL A 1 94 ? 5.905 -12.394 5.238 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 3 -ATOM 4704 H H . VAL A 1 94 ? 2.500 -10.409 3.961 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 3 -ATOM 4705 H HA . VAL A 1 94 ? 5.221 -10.545 3.298 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 3 -ATOM 4706 H HB . VAL A 1 94 ? 4.514 -10.835 5.619 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 3 -ATOM 4707 H HG11 . VAL A 1 94 ? 3.382 -13.480 4.788 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 3 -ATOM 4708 H HG12 . VAL A 1 94 ? 2.484 -12.069 5.332 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 3 -ATOM 4709 H HG13 . VAL A 1 94 ? 3.561 -12.916 6.448 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 3 -ATOM 4710 H HG21 . VAL A 1 94 ? 5.973 -12.708 6.269 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 3 -ATOM 4711 H HG22 . VAL A 1 94 ? 6.704 -11.700 5.022 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 3 -ATOM 4712 H HG23 . VAL A 1 94 ? 5.992 -13.258 4.595 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 3 -ATOM 4713 N N . LYS A 1 95 ? 3.498 -13.017 2.072 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 3 -ATOM 4714 C CA . LYS A 1 95 ? 3.587 -14.079 1.069 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 3 -ATOM 4715 C C . LYS A 1 95 ? 3.794 -13.524 -0.339 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 3 -ATOM 4716 O O . LYS A 1 95 ? 4.166 -14.253 -1.253 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 3 -ATOM 4717 C CB . LYS A 1 95 ? 2.388 -15.048 1.099 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 3 -ATOM 4718 C CG . LYS A 1 95 ? 2.476 -16.194 2.127 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 3 -ATOM 4719 C CD . LYS A 1 95 ? 2.431 -15.733 3.568 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 3 -ATOM 4720 C CE . LYS A 1 95 ? 2.469 -16.920 4.519 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 3 -ATOM 4721 N NZ . LYS A 1 95 ? 2.226 -16.517 5.916 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 3 -ATOM 4722 H H . LYS A 1 95 ? 2.620 -12.768 2.437 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 3 -ATOM 4723 H HA . LYS A 1 95 ? 4.480 -14.637 1.306 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 3 -ATOM 4724 H HB2 . LYS A 1 95 ? 1.498 -14.480 1.320 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 3 -ATOM 4725 H HB3 . LYS A 1 95 ? 2.279 -15.482 0.117 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 3 -ATOM 4726 H HG2 . LYS A 1 95 ? 1.647 -16.866 1.972 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 3 -ATOM 4727 H HG3 . LYS A 1 95 ? 3.397 -16.733 1.959 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 3 -ATOM 4728 H HD2 . LYS A 1 95 ? 3.302 -15.121 3.743 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 3 -ATOM 4729 H HD3 . LYS A 1 95 ? 1.534 -15.159 3.741 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 3 -ATOM 4730 H HE2 . LYS A 1 95 ? 1.714 -17.633 4.223 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 3 -ATOM 4731 H HE3 . LYS A 1 95 ? 3.441 -17.386 4.451 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 3 -ATOM 4732 H HZ1 . LYS A 1 95 ? 2.921 -15.822 6.253 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 3 -ATOM 4733 H HZ2 . LYS A 1 95 ? 2.273 -17.337 6.552 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 3 -ATOM 4734 H HZ3 . LYS A 1 95 ? 1.278 -16.102 6.020 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 3 -ATOM 4735 N N . ARG A 1 96 ? 3.558 -12.241 -0.520 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 3 -ATOM 4736 C CA . ARG A 1 96 ? 3.753 -11.628 -1.819 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 3 -ATOM 4737 C C . ARG A 1 96 ? 5.179 -11.131 -1.956 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 3 -ATOM 4738 O O . ARG A 1 96 ? 5.734 -11.105 -3.055 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 3 -ATOM 4739 C CB . ARG A 1 96 ? 2.730 -10.503 -2.068 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 3 -ATOM 4740 C CG . ARG A 1 96 ? 2.786 -9.804 -3.447 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 3 -ATOM 4741 C CD . ARG A 1 96 ? 2.518 -10.753 -4.624 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 3 -ATOM 4742 N NE . ARG A 1 96 ? 3.631 -11.692 -4.874 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 3 -ATOM 4743 C CZ . ARG A 1 96 ? 3.555 -12.793 -5.641 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 3 -ATOM 4744 N NH1 . ARG A 1 96 ? 2.436 -13.074 -6.298 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 3 -ATOM 4745 N NH2 . ARG A 1 96 ? 4.607 -13.606 -5.761 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 3 -ATOM 4746 H H . ARG A 1 96 ? 3.242 -11.690 0.230 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 3 -ATOM 4747 H HA . ARG A 1 96 ? 3.620 -12.395 -2.560 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 3 -ATOM 4748 H HB2 . ARG A 1 96 ? 1.737 -10.909 -1.953 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 3 -ATOM 4749 H HB3 . ARG A 1 96 ? 2.876 -9.751 -1.306 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 3 -ATOM 4750 H HG2 . ARG A 1 96 ? 2.043 -9.022 -3.471 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 3 -ATOM 4751 H HG3 . ARG A 1 96 ? 3.766 -9.364 -3.566 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 3 -ATOM 4752 H HD2 . ARG A 1 96 ? 1.629 -11.326 -4.408 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 3 -ATOM 4753 H HD3 . ARG A 1 96 ? 2.351 -10.164 -5.513 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 3 -ATOM 4754 H HE . ARG A 1 96 ? 4.476 -11.460 -4.422 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 3 -ATOM 4755 H HH11 . ARG A 1 96 ? 1.612 -12.501 -6.263 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 3 -ATOM 4756 H HH12 . ARG A 1 96 ? 2.377 -13.902 -6.863 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 3 -ATOM 4757 H HH21 . ARG A 1 96 ? 5.492 -13.460 -5.305 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 3 -ATOM 4758 H HH22 . ARG A 1 96 ? 4.548 -14.429 -6.336 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 3 -ATOM 4759 N N . ILE A 1 97 ? 5.777 -10.792 -0.849 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 3 -ATOM 4760 C CA . ILE A 1 97 ? 7.134 -10.283 -0.841 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 3 -ATOM 4761 C C . ILE A 1 97 ? 8.143 -11.427 -0.882 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 3 -ATOM 4762 O O . ILE A 1 97 ? 9.046 -11.430 -1.722 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 3 -ATOM 4763 C CB . ILE A 1 97 ? 7.397 -9.428 0.405 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 3 -ATOM 4764 C CG1 . ILE A 1 97 ? 6.354 -8.341 0.511 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 3 -ATOM 4765 C CG2 . ILE A 1 97 ? 8.788 -8.798 0.331 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 3 -ATOM 4766 C CD1 . ILE A 1 97 ? 6.369 -7.650 1.833 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 3 -ATOM 4767 H H . ILE A 1 97 ? 5.279 -10.866 -0.005 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 3 -ATOM 4768 H HA . ILE A 1 97 ? 7.264 -9.666 -1.717 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 3 -ATOM 4769 H HB . ILE A 1 97 ? 7.333 -10.058 1.279 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 3 -ATOM 4770 H HG12 . ILE A 1 97 ? 6.538 -7.601 -0.254 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 3 -ATOM 4771 H HG13 . ILE A 1 97 ? 5.375 -8.772 0.365 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 3 -ATOM 4772 H HG21 . ILE A 1 97 ? 8.961 -8.213 1.223 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 3 -ATOM 4773 H HG22 . ILE A 1 97 ? 8.848 -8.158 -0.535 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 3 -ATOM 4774 H HG23 . ILE A 1 97 ? 9.536 -9.574 0.259 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 3 -ATOM 4775 H HD11 . ILE A 1 97 ? 6.197 -8.402 2.589 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 3 -ATOM 4776 H HD12 . ILE A 1 97 ? 5.574 -6.922 1.864 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 3 -ATOM 4777 H HD13 . ILE A 1 97 ? 7.326 -7.179 1.996 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 3 -ATOM 4778 N N . LEU A 1 98 ? 8.007 -12.382 0.014 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 3 -ATOM 4779 C CA . LEU A 1 98 ? 8.935 -13.496 0.047 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 3 -ATOM 4780 C C . LEU A 1 98 ? 8.250 -14.751 -0.472 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 3 -ATOM 4781 O O . LEU A 1 98 ? 7.860 -15.620 0.340 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 3 -ATOM 4782 C CB . LEU A 1 98 ? 9.525 -13.756 1.466 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 3 -ATOM 4783 C CG . LEU A 1 98 ? 10.389 -12.656 2.129 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 3 -ATOM 4784 C CD1 . LEU A 1 98 ? 9.547 -11.504 2.650 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 3 -ATOM 4785 C CD2 . LEU A 1 98 ? 11.235 -13.244 3.245 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 3 -ATOM 4786 O OXT . LEU A 1 98 ? 8.052 -14.858 -1.701 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 3 -ATOM 4787 H H . LEU A 1 98 ? 7.263 -12.368 0.654 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 3 -ATOM 4788 H HA . LEU A 1 98 ? 9.741 -13.254 -0.631 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 3 -ATOM 4789 H HB2 . LEU A 1 98 ? 8.704 -13.961 2.136 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 3 -ATOM 4790 H HB3 . LEU A 1 98 ? 10.127 -14.650 1.399 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 3 -ATOM 4791 H HG . LEU A 1 98 ? 11.059 -12.252 1.384 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 3 -ATOM 4792 H HD11 . LEU A 1 98 ? 8.851 -11.867 3.392 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 3 -ATOM 4793 H HD12 . LEU A 1 98 ? 9.000 -11.069 1.828 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 3 -ATOM 4794 H HD13 . LEU A 1 98 ? 10.191 -10.757 3.090 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 3 -ATOM 4795 H HD21 . LEU A 1 98 ? 10.594 -13.672 4.001 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 3 -ATOM 4796 H HD22 . LEU A 1 98 ? 11.836 -12.464 3.689 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 3 -ATOM 4797 H HD23 . LEU A 1 98 ? 11.881 -14.011 2.844 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 3 -ATOM 4798 N N . MET A 1 4 ? 11.419 14.430 -1.594 1.00 0.00 ? ? ? ? ? ? 1 MET A N 4 -ATOM 4799 C CA . MET A 1 4 ? 11.224 14.102 -3.010 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 4 -ATOM 4800 C C . MET A 1 4 ? 10.043 13.170 -3.120 1.00 0.00 ? ? ? ? ? ? 1 MET A C 4 -ATOM 4801 O O . MET A 1 4 ? 9.859 12.320 -2.260 1.00 0.00 ? ? ? ? ? ? 1 MET A O 4 -ATOM 4802 C CB . MET A 1 4 ? 12.479 13.426 -3.570 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 4 -ATOM 4803 C CG . MET A 1 4 ? 12.403 13.047 -5.044 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 4 -ATOM 4804 S SD . MET A 1 4 ? 13.925 12.281 -5.654 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 4 -ATOM 4805 C CE . MET A 1 4 ? 14.058 10.844 -4.582 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 4 -ATOM 4806 H H . MET A 1 4 ? 11.586 13.554 -1.061 1.00 0.00 ? ? ? ? ? ? 1 MET A H 4 -ATOM 4807 H HA . MET A 1 4 ? 11.017 15.010 -3.557 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 4 -ATOM 4808 H HB2 . MET A 1 4 ? 13.324 14.085 -3.437 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 4 -ATOM 4809 H HB3 . MET A 1 4 ? 12.635 12.522 -3.000 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 4 -ATOM 4810 H HG2 . MET A 1 4 ? 11.588 12.354 -5.183 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 4 -ATOM 4811 H HG3 . MET A 1 4 ? 12.212 13.941 -5.620 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 4 -ATOM 4812 H HE1 . MET A 1 4 ? 14.159 11.166 -3.557 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 4 -ATOM 4813 H HE2 . MET A 1 4 ? 14.922 10.262 -4.866 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 4 -ATOM 4814 H HE3 . MET A 1 4 ? 13.170 10.240 -4.683 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 4 -ATOM 4815 N N . ALA A 1 5 ? 9.257 13.316 -4.163 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 4 -ATOM 4816 C CA . ALA A 1 5 ? 8.072 12.503 -4.326 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 4 -ATOM 4817 C C . ALA A 1 5 ? 8.394 11.218 -5.056 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 4 -ATOM 4818 O O . ALA A 1 5 ? 9.142 11.212 -6.041 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 4 -ATOM 4819 C CB . ALA A 1 5 ? 6.969 13.263 -5.040 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 4 -ATOM 4820 H H . ALA A 1 5 ? 9.499 13.954 -4.869 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 4 -ATOM 4821 H HA . ALA A 1 5 ? 7.722 12.248 -3.336 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 4 -ATOM 4822 H HB1 . ALA A 1 5 ? 6.080 12.648 -5.062 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 4 -ATOM 4823 H HB2 . ALA A 1 5 ? 7.280 13.483 -6.051 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 4 -ATOM 4824 H HB3 . ALA A 1 5 ? 6.760 14.182 -4.513 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 4 -ATOM 4825 N N . TYR A 1 6 ? 7.865 10.146 -4.554 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 4 -ATOM 4826 C CA . TYR A 1 6 ? 8.059 8.836 -5.125 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 4 -ATOM 4827 C C . TYR A 1 6 ? 6.924 8.492 -6.080 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 4 -ATOM 4828 O O . TYR A 1 6 ? 5.919 9.218 -6.161 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 4 -ATOM 4829 C CB . TYR A 1 6 ? 8.169 7.774 -4.012 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 4 -ATOM 4830 C CG . TYR A 1 6 ? 9.459 7.826 -3.199 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 4 -ATOM 4831 C CD1 . TYR A 1 6 ? 9.867 8.984 -2.550 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 4 -ATOM 4832 C CD2 . TYR A 1 6 ? 10.259 6.700 -3.076 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 4 -ATOM 4833 C CE1 . TYR A 1 6 ? 11.028 9.019 -1.810 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 4 -ATOM 4834 C CE2 . TYR A 1 6 ? 11.423 6.726 -2.336 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 4 -ATOM 4835 C CZ . TYR A 1 6 ? 11.803 7.886 -1.707 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 4 -ATOM 4836 O OH . TYR A 1 6 ? 12.969 7.913 -0.966 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 4 -ATOM 4837 H H . TYR A 1 6 ? 7.320 10.240 -3.741 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 4 -ATOM 4838 H HA . TYR A 1 6 ? 8.987 8.851 -5.677 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 4 -ATOM 4839 H HB2 . TYR A 1 6 ? 7.347 7.902 -3.324 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 4 -ATOM 4840 H HB3 . TYR A 1 6 ? 8.097 6.795 -4.463 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 4 -ATOM 4841 H HD1 . TYR A 1 6 ? 9.258 9.872 -2.635 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 4 -ATOM 4842 H HD2 . TYR A 1 6 ? 9.960 5.788 -3.573 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 4 -ATOM 4843 H HE1 . TYR A 1 6 ? 11.320 9.933 -1.314 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 4 -ATOM 4844 H HE2 . TYR A 1 6 ? 12.031 5.838 -2.254 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 4 -ATOM 4845 H HH . TYR A 1 6 ? 13.645 7.493 -1.515 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 4 -ATOM 4846 N N . PHE A 1 7 ? 7.098 7.420 -6.811 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 4 -ATOM 4847 C CA . PHE A 1 7 ? 6.089 6.928 -7.735 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 4 -ATOM 4848 C C . PHE A 1 7 ? 5.226 5.902 -7.020 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 4 -ATOM 4849 O O . PHE A 1 7 ? 5.625 5.393 -5.986 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 4 -ATOM 4850 C CB . PHE A 1 7 ? 6.757 6.290 -8.961 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 4 -ATOM 4851 C CG . PHE A 1 7 ? 7.612 7.237 -9.750 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 4 -ATOM 4852 C CD1 . PHE A 1 7 ? 7.037 8.182 -10.577 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 4 -ATOM 4853 C CD2 . PHE A 1 7 ? 8.996 7.179 -9.665 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 4 -ATOM 4854 C CE1 . PHE A 1 7 ? 7.819 9.054 -11.304 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 4 -ATOM 4855 C CE2 . PHE A 1 7 ? 9.783 8.047 -10.390 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 4 -ATOM 4856 C CZ . PHE A 1 7 ? 9.194 8.986 -11.209 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 4 -ATOM 4857 H H . PHE A 1 7 ? 7.946 6.929 -6.727 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 4 -ATOM 4858 H HA . PHE A 1 7 ? 5.474 7.760 -8.049 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 4 -ATOM 4859 H HB2 . PHE A 1 7 ? 7.402 5.496 -8.615 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 4 -ATOM 4860 H HB3 . PHE A 1 7 ? 6.011 5.868 -9.616 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 4 -ATOM 4861 H HD1 . PHE A 1 7 ? 5.960 8.235 -10.649 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 4 -ATOM 4862 H HD2 . PHE A 1 7 ? 9.458 6.444 -9.022 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 4 -ATOM 4863 H HE1 . PHE A 1 7 ? 7.354 9.788 -11.946 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 4 -ATOM 4864 H HE2 . PHE A 1 7 ? 10.859 7.995 -10.316 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 4 -ATOM 4865 H HZ . PHE A 1 7 ? 9.810 9.668 -11.776 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 4 -ATOM 4866 N N . LEU A 1 8 ? 4.064 5.608 -7.545 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 4 -ATOM 4867 C CA . LEU A 1 8 ? 3.174 4.645 -6.918 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 4 -ATOM 4868 C C . LEU A 1 8 ? 2.793 3.581 -7.959 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 4 -ATOM 4869 O O . LEU A 1 8 ? 2.331 3.919 -9.047 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 4 -ATOM 4870 C CB . LEU A 1 8 ? 1.911 5.388 -6.394 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 4 -ATOM 4871 C CG . LEU A 1 8 ? 1.040 4.719 -5.285 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 4 -ATOM 4872 C CD1 . LEU A 1 8 ? 0.471 3.384 -5.694 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 4 -ATOM 4873 C CD2 . LEU A 1 8 ? 1.803 4.588 -3.984 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 4 -ATOM 4874 H H . LEU A 1 8 ? 3.781 6.030 -8.385 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 4 -ATOM 4875 H HA . LEU A 1 8 ? 3.691 4.181 -6.092 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 4 -ATOM 4876 H HB2 . LEU A 1 8 ? 2.240 6.342 -6.014 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 4 -ATOM 4877 H HB3 . LEU A 1 8 ? 1.277 5.576 -7.249 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 4 -ATOM 4878 H HG . LEU A 1 8 ? 0.195 5.366 -5.099 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 4 -ATOM 4879 H HD11 . LEU A 1 8 ? -0.079 2.975 -4.859 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 4 -ATOM 4880 H HD12 . LEU A 1 8 ? 1.276 2.714 -5.954 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 4 -ATOM 4881 H HD13 . LEU A 1 8 ? -0.195 3.511 -6.535 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 4 -ATOM 4882 H HD21 . LEU A 1 8 ? 2.084 5.564 -3.624 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 4 -ATOM 4883 H HD22 . LEU A 1 8 ? 2.686 3.988 -4.143 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 4 -ATOM 4884 H HD23 . LEU A 1 8 ? 1.172 4.104 -3.253 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 4 -ATOM 4885 N N . ASP A 1 9 ? 3.018 2.331 -7.648 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 4 -ATOM 4886 C CA . ASP A 1 9 ? 2.630 1.228 -8.528 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 4 -ATOM 4887 C C . ASP A 1 9 ? 1.875 0.213 -7.712 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 4 -ATOM 4888 O O . ASP A 1 9 ? 2.086 0.094 -6.503 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 4 -ATOM 4889 C CB . ASP A 1 9 ? 3.850 0.563 -9.186 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 4 -ATOM 4890 C CG . ASP A 1 9 ? 3.493 -0.532 -10.202 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 4 -ATOM 4891 O OD1 . ASP A 1 9 ? 2.747 -0.254 -11.172 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 4 -ATOM 4892 O OD2 . ASP A 1 9 ? 3.999 -1.674 -10.084 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 4 -ATOM 4893 H H . ASP A 1 9 ? 3.445 2.108 -6.788 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 4 -ATOM 4894 H HA . ASP A 1 9 ? 1.976 1.623 -9.291 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 4 -ATOM 4895 H HB2 . ASP A 1 9 ? 4.484 1.296 -9.660 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 4 -ATOM 4896 H HB3 . ASP A 1 9 ? 4.379 0.083 -8.379 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 4 -ATOM 4897 N N . PHE A 1 10 ? 1.008 -0.489 -8.343 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 4 -ATOM 4898 C CA . PHE A 1 10 ? 0.199 -1.479 -7.683 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 4 -ATOM 4899 C C . PHE A 1 10 ? 0.489 -2.819 -8.302 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 4 -ATOM 4900 O O . PHE A 1 10 ? 0.579 -2.921 -9.538 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 4 -ATOM 4901 C CB . PHE A 1 10 ? -1.300 -1.202 -7.887 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 4 -ATOM 4902 C CG . PHE A 1 10 ? -1.829 0.124 -7.402 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 4 -ATOM 4903 C CD1 . PHE A 1 10 ? -1.854 1.227 -8.247 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 4 -ATOM 4904 C CD2 . PHE A 1 10 ? -2.341 0.253 -6.126 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 4 -ATOM 4905 C CE1 . PHE A 1 10 ? -2.369 2.434 -7.818 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 4 -ATOM 4906 C CE2 . PHE A 1 10 ? -2.863 1.457 -5.693 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 4 -ATOM 4907 C CZ . PHE A 1 10 ? -2.877 2.549 -6.540 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 4 -ATOM 4908 H H . PHE A 1 10 ? 0.939 -0.366 -9.313 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 4 -ATOM 4909 H HA . PHE A 1 10 ? 0.420 -1.486 -6.628 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 4 -ATOM 4910 H HB2 . PHE A 1 10 ? -1.507 -1.251 -8.944 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 4 -ATOM 4911 H HB3 . PHE A 1 10 ? -1.858 -1.985 -7.393 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 4 -ATOM 4912 H HD1 . PHE A 1 10 ? -1.457 1.138 -9.246 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 4 -ATOM 4913 H HD2 . PHE A 1 10 ? -2.328 -0.597 -5.461 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 4 -ATOM 4914 H HE1 . PHE A 1 10 ? -2.379 3.285 -8.483 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 4 -ATOM 4915 H HE2 . PHE A 1 10 ? -3.261 1.546 -4.693 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 4 -ATOM 4916 H HZ . PHE A 1 10 ? -3.283 3.490 -6.201 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 4 -ATOM 4917 N N . ASP A 1 11 ? 0.655 -3.836 -7.482 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 4 -ATOM 4918 C CA . ASP A 1 11 ? 0.775 -5.187 -8.004 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 4 -ATOM 4919 C C . ASP A 1 11 ? -0.599 -5.578 -8.503 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 4 -ATOM 4920 O O . ASP A 1 11 ? -1.599 -5.036 -8.007 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 4 -ATOM 4921 C CB . ASP A 1 11 ? 1.232 -6.176 -6.921 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 4 -ATOM 4922 C CG . ASP A 1 11 ? 1.511 -7.561 -7.482 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 4 -ATOM 4923 O OD1 . ASP A 1 11 ? 0.597 -8.393 -7.540 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 4 -ATOM 4924 O OD2 . ASP A 1 11 ? 2.663 -7.834 -7.898 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 4 -ATOM 4925 H H . ASP A 1 11 ? 0.700 -3.684 -6.511 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 4 -ATOM 4926 H HA . ASP A 1 11 ? 1.474 -5.175 -8.826 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 4 -ATOM 4927 H HB2 . ASP A 1 11 ? 2.139 -5.806 -6.463 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 4 -ATOM 4928 H HB3 . ASP A 1 11 ? 0.462 -6.258 -6.168 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 4 -ATOM 4929 N N . GLU A 1 12 ? -0.683 -6.483 -9.454 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 4 -ATOM 4930 C CA . GLU A 1 12 ? -1.967 -6.852 -10.005 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 4 -ATOM 4931 C C . GLU A 1 12 ? -2.921 -7.395 -8.935 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 4 -ATOM 4932 O O . GLU A 1 12 ? -4.117 -7.157 -9.018 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 4 -ATOM 4933 C CB . GLU A 1 12 ? -1.843 -7.813 -11.171 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 4 -ATOM 4934 C CG . GLU A 1 12 ? -1.297 -9.162 -10.811 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 4 -ATOM 4935 C CD . GLU A 1 12 ? -1.283 -10.076 -11.980 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 4 -ATOM 4936 O OE1 . GLU A 1 12 ? -2.367 -10.558 -12.386 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 4 -ATOM 4937 O OE2 . GLU A 1 12 ? -0.192 -10.351 -12.501 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 4 -ATOM 4938 H H . GLU A 1 12 ? 0.135 -6.907 -9.794 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 4 -ATOM 4939 H HA . GLU A 1 12 ? -2.401 -5.931 -10.365 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 4 -ATOM 4940 H HB2 . GLU A 1 12 ? -2.820 -7.953 -11.608 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 4 -ATOM 4941 H HB3 . GLU A 1 12 ? -1.193 -7.369 -11.909 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 4 -ATOM 4942 H HG2 . GLU A 1 12 ? -0.287 -9.049 -10.447 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 4 -ATOM 4943 H HG3 . GLU A 1 12 ? -1.917 -9.592 -10.038 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 4 -ATOM 4944 N N . ARG A 1 13 ? -2.389 -8.079 -7.902 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 4 -ATOM 4945 C CA . ARG A 1 13 ? -3.248 -8.553 -6.811 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 4 -ATOM 4946 C C . ARG A 1 13 ? -3.885 -7.378 -6.099 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 4 -ATOM 4947 O O . ARG A 1 13 ? -5.070 -7.406 -5.776 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 4 -ATOM 4948 C CB . ARG A 1 13 ? -2.525 -9.468 -5.801 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 4 -ATOM 4949 C CG . ARG A 1 13 ? -1.219 -8.931 -5.245 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 4 -ATOM 4950 C CD . ARG A 1 13 ? -0.734 -9.750 -4.064 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 4 -ATOM 4951 N NE . ARG A 1 13 ? -1.427 -9.358 -2.832 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 4 -ATOM 4952 C CZ . ARG A 1 13 ? -2.151 -10.151 -2.032 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 4 -ATOM 4953 N NH1 . ARG A 1 13 ? -2.472 -11.396 -2.404 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 4 -ATOM 4954 N NH2 . ARG A 1 13 ? -2.583 -9.677 -0.868 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 4 -ATOM 4955 H H . ARG A 1 13 ? -1.417 -8.247 -7.891 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 4 -ATOM 4956 H HA . ARG A 1 13 ? -4.046 -9.106 -7.284 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 4 -ATOM 4957 H HB2 . ARG A 1 13 ? -3.184 -9.650 -4.965 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 4 -ATOM 4958 H HB3 . ARG A 1 13 ? -2.322 -10.412 -6.286 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 4 -ATOM 4959 H HG2 . ARG A 1 13 ? -0.469 -8.959 -6.021 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 4 -ATOM 4960 H HG3 . ARG A 1 13 ? -1.370 -7.910 -4.928 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 4 -ATOM 4961 H HD2 . ARG A 1 13 ? -0.913 -10.795 -4.260 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 4 -ATOM 4962 H HD3 . ARG A 1 13 ? 0.325 -9.585 -3.936 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 4 -ATOM 4963 H HE . ARG A 1 13 ? -1.275 -8.411 -2.589 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 4 -ATOM 4964 H HH11 . ARG A 1 13 ? -2.196 -11.796 -3.285 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 4 -ATOM 4965 H HH12 . ARG A 1 13 ? -3.020 -11.993 -1.812 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 4 -ATOM 4966 H HH21 . ARG A 1 13 ? -2.380 -8.741 -0.563 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 4 -ATOM 4967 H HH22 . ARG A 1 13 ? -3.123 -10.236 -0.216 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 4 -ATOM 4968 N N . ALA A 1 14 ? -3.106 -6.324 -5.929 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 4 -ATOM 4969 C CA . ALA A 1 14 ? -3.563 -5.126 -5.287 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 4 -ATOM 4970 C C . ALA A 1 14 ? -4.606 -4.441 -6.146 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 4 -ATOM 4971 O O . ALA A 1 14 ? -5.577 -3.959 -5.640 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 4 -ATOM 4972 C CB . ALA A 1 14 ? -2.404 -4.188 -4.991 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 4 -ATOM 4973 H H . ALA A 1 14 ? -2.194 -6.344 -6.286 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 4 -ATOM 4974 H HA . ALA A 1 14 ? -4.023 -5.410 -4.352 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 4 -ATOM 4975 H HB1 . ALA A 1 14 ? -1.683 -4.691 -4.364 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 4 -ATOM 4976 H HB2 . ALA A 1 14 ? -2.770 -3.307 -4.487 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 4 -ATOM 4977 H HB3 . ALA A 1 14 ? -1.932 -3.899 -5.918 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 4 -ATOM 4978 N N . LEU A 1 15 ? -4.404 -4.456 -7.464 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 4 -ATOM 4979 C CA . LEU A 1 15 ? -5.326 -3.833 -8.407 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 4 -ATOM 4980 C C . LEU A 1 15 ? -6.684 -4.486 -8.375 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 4 -ATOM 4981 O O . LEU A 1 15 ? -7.707 -3.808 -8.367 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 4 -ATOM 4982 C CB . LEU A 1 15 ? -4.767 -3.878 -9.822 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 4 -ATOM 4983 C CG . LEU A 1 15 ? -3.627 -2.922 -10.127 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 4 -ATOM 4984 C CD1 . LEU A 1 15 ? -3.083 -3.183 -11.521 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 4 -ATOM 4985 C CD2 . LEU A 1 15 ? -4.118 -1.479 -10.014 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 4 -ATOM 4986 H H . LEU A 1 15 ? -3.609 -4.906 -7.825 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 4 -ATOM 4987 H HA . LEU A 1 15 ? -5.439 -2.799 -8.118 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 4 -ATOM 4988 H HB2 . LEU A 1 15 ? -4.422 -4.885 -10.007 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 4 -ATOM 4989 H HB3 . LEU A 1 15 ? -5.579 -3.669 -10.499 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 4 -ATOM 4990 H HG . LEU A 1 15 ? -2.834 -3.068 -9.411 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 4 -ATOM 4991 H HD11 . LEU A 1 15 ? -2.744 -4.205 -11.595 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 4 -ATOM 4992 H HD12 . LEU A 1 15 ? -2.250 -2.520 -11.707 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 4 -ATOM 4993 H HD13 . LEU A 1 15 ? -3.856 -3.004 -12.253 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 4 -ATOM 4994 H HD21 . LEU A 1 15 ? -3.322 -0.802 -10.284 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 4 -ATOM 4995 H HD22 . LEU A 1 15 ? -4.423 -1.272 -8.997 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 4 -ATOM 4996 H HD23 . LEU A 1 15 ? -4.960 -1.325 -10.672 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 4 -ATOM 4997 N N . LYS A 1 16 ? -6.686 -5.794 -8.336 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 4 -ATOM 4998 C CA . LYS A 1 16 ? -7.912 -6.566 -8.309 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 4 -ATOM 4999 C C . LYS A 1 16 ? -8.697 -6.255 -7.036 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 4 -ATOM 5000 O O . LYS A 1 16 ? -9.907 -5.999 -7.086 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 4 -ATOM 5001 C CB . LYS A 1 16 ? -7.560 -8.048 -8.408 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 4 -ATOM 5002 C CG . LYS A 1 16 ? -6.830 -8.379 -9.701 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 4 -ATOM 5003 C CD . LYS A 1 16 ? -6.130 -9.722 -9.641 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 4 -ATOM 5004 C CE . LYS A 1 16 ? -5.298 -9.944 -10.898 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 4 -ATOM 5005 N NZ . LYS A 1 16 ? -4.546 -11.219 -10.880 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 4 -ATOM 5006 H H . LYS A 1 16 ? -5.822 -6.264 -8.331 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 4 -ATOM 5007 H HA . LYS A 1 16 ? -8.504 -6.285 -9.167 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 4 -ATOM 5008 H HB2 . LYS A 1 16 ? -6.930 -8.315 -7.573 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 4 -ATOM 5009 H HB3 . LYS A 1 16 ? -8.470 -8.628 -8.374 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 4 -ATOM 5010 H HG2 . LYS A 1 16 ? -7.542 -8.396 -10.513 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 4 -ATOM 5011 H HG3 . LYS A 1 16 ? -6.096 -7.609 -9.891 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 4 -ATOM 5012 H HD2 . LYS A 1 16 ? -5.474 -9.699 -8.782 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 4 -ATOM 5013 H HD3 . LYS A 1 16 ? -6.860 -10.511 -9.535 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 4 -ATOM 5014 H HE2 . LYS A 1 16 ? -5.953 -9.944 -11.755 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 4 -ATOM 5015 H HE3 . LYS A 1 16 ? -4.597 -9.127 -10.987 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 4 -ATOM 5016 H HZ1 . LYS A 1 16 ? -5.160 -12.047 -11.005 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 4 -ATOM 5017 H HZ2 . LYS A 1 16 ? -4.065 -11.338 -9.965 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 4 -ATOM 5018 H HZ3 . LYS A 1 16 ? -3.806 -11.217 -11.618 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 4 -ATOM 5019 N N . GLU A 1 17 ? -7.994 -6.200 -5.923 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 4 -ATOM 5020 C CA . GLU A 1 17 ? -8.584 -5.856 -4.646 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 4 -ATOM 5021 C C . GLU A 1 17 ? -9.001 -4.369 -4.610 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 4 -ATOM 5022 O O . GLU A 1 17 ? -10.019 -4.019 -4.059 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 4 -ATOM 5023 C CB . GLU A 1 17 ? -7.613 -6.186 -3.526 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 4 -ATOM 5024 C CG . GLU A 1 17 ? -7.234 -7.662 -3.468 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 4 -ATOM 5025 C CD . GLU A 1 17 ? -8.404 -8.565 -3.155 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 4 -ATOM 5026 O OE1 . GLU A 1 17 ? -8.816 -8.641 -1.982 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 4 -ATOM 5027 O OE2 . GLU A 1 17 ? -8.923 -9.234 -4.062 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 4 -ATOM 5028 H H . GLU A 1 17 ? -7.037 -6.421 -5.937 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 4 -ATOM 5029 H HA . GLU A 1 17 ? -9.468 -6.467 -4.534 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 4 -ATOM 5030 H HB2 . GLU A 1 17 ? -6.713 -5.608 -3.670 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 4 -ATOM 5031 H HB3 . GLU A 1 17 ? -8.060 -5.912 -2.582 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 4 -ATOM 5032 H HG2 . GLU A 1 17 ? -6.856 -7.936 -4.441 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 4 -ATOM 5033 H HG3 . GLU A 1 17 ? -6.453 -7.810 -2.739 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 4 -ATOM 5034 N N . TRP A 1 18 ? -8.203 -3.529 -5.224 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 4 -ATOM 5035 C CA . TRP A 1 18 ? -8.441 -2.080 -5.328 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 4 -ATOM 5036 C C . TRP A 1 18 ? -9.756 -1.811 -6.066 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 4 -ATOM 5037 O O . TRP A 1 18 ? -10.545 -0.971 -5.659 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 4 -ATOM 5038 C CB . TRP A 1 18 ? -7.247 -1.458 -6.080 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 4 -ATOM 5039 C CG . TRP A 1 18 ? -7.241 0.029 -6.274 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 4 -ATOM 5040 C CD1 . TRP A 1 18 ? -7.628 0.711 -7.392 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 4 -ATOM 5041 C CD2 . TRP A 1 18 ? -6.770 1.011 -5.348 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 4 -ATOM 5042 N NE1 . TRP A 1 18 ? -7.438 2.058 -7.210 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 4 -ATOM 5043 C CE2 . TRP A 1 18 ? -6.913 2.268 -5.965 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 4 -ATOM 5044 C CE3 . TRP A 1 18 ? -6.247 0.953 -4.055 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 4 -ATOM 5045 C CZ2 . TRP A 1 18 ? -6.549 3.452 -5.336 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 4 -ATOM 5046 C CZ3 . TRP A 1 18 ? -5.886 2.128 -3.432 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 4 -ATOM 5047 C CH2 . TRP A 1 18 ? -6.037 3.360 -4.072 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 4 -ATOM 5048 H H . TRP A 1 18 ? -7.372 -3.883 -5.614 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 4 -ATOM 5049 H HA . TRP A 1 18 ? -8.497 -1.660 -4.333 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 4 -ATOM 5050 H HB2 . TRP A 1 18 ? -6.341 -1.702 -5.544 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 4 -ATOM 5051 H HB3 . TRP A 1 18 ? -7.195 -1.924 -7.053 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 4 -ATOM 5052 H HD1 . TRP A 1 18 ? -8.024 0.241 -8.281 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 4 -ATOM 5053 H HE1 . TRP A 1 18 ? -7.638 2.756 -7.873 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 4 -ATOM 5054 H HE3 . TRP A 1 18 ? -6.123 0.008 -3.547 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 4 -ATOM 5055 H HZ2 . TRP A 1 18 ? -6.661 4.412 -5.816 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 4 -ATOM 5056 H HZ3 . TRP A 1 18 ? -5.476 2.105 -2.434 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 4 -ATOM 5057 H HH2 . TRP A 1 18 ? -5.741 4.254 -3.543 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 4 -ATOM 5058 N N . ARG A 1 19 ? -9.990 -2.551 -7.139 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 4 -ATOM 5059 C CA . ARG A 1 19 ? -11.223 -2.425 -7.932 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 4 -ATOM 5060 C C . ARG A 1 19 ? -12.399 -3.066 -7.187 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 4 -ATOM 5061 O O . ARG A 1 19 ? -13.561 -2.729 -7.403 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 4 -ATOM 5062 C CB . ARG A 1 19 ? -11.021 -3.072 -9.304 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 4 -ATOM 5063 C CG . ARG A 1 19 ? -9.879 -2.444 -10.083 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 4 -ATOM 5064 C CD . ARG A 1 19 ? -9.559 -3.208 -11.348 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 4 -ATOM 5065 N NE . ARG A 1 19 ? -8.358 -2.676 -12.009 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 4 -ATOM 5066 C CZ . ARG A 1 19 ? -7.612 -3.342 -12.903 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 4 -ATOM 5067 N NH1 . ARG A 1 19 ? -7.974 -4.547 -13.300 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 4 -ATOM 5068 N NH2 . ARG A 1 19 ? -6.510 -2.789 -13.405 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 4 -ATOM 5069 H H . ARG A 1 19 ? -9.294 -3.192 -7.411 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 4 -ATOM 5070 H HA . ARG A 1 19 ? -11.425 -1.371 -8.059 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 4 -ATOM 5071 H HB2 . ARG A 1 19 ? -10.805 -4.121 -9.167 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 4 -ATOM 5072 H HB3 . ARG A 1 19 ? -11.927 -2.969 -9.883 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 4 -ATOM 5073 H HG2 . ARG A 1 19 ? -10.149 -1.432 -10.343 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 4 -ATOM 5074 H HG3 . ARG A 1 19 ? -9.003 -2.426 -9.451 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 4 -ATOM 5075 H HD2 . ARG A 1 19 ? -9.387 -4.243 -11.090 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 4 -ATOM 5076 H HD3 . ARG A 1 19 ? -10.395 -3.138 -12.028 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 4 -ATOM 5077 H HE . ARG A 1 19 ? -8.117 -1.764 -11.730 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 4 -ATOM 5078 H HH11 . ARG A 1 19 ? -8.801 -5.000 -12.956 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 4 -ATOM 5079 H HH12 . ARG A 1 19 ? -7.443 -5.064 -13.975 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 4 -ATOM 5080 H HH21 . ARG A 1 19 ? -6.191 -1.873 -13.146 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 4 -ATOM 5081 H HH22 . ARG A 1 19 ? -5.943 -3.269 -14.083 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 4 -ATOM 5082 N N . LYS A 1 20 ? -12.062 -3.982 -6.310 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 4 -ATOM 5083 C CA . LYS A 1 20 ? -12.997 -4.689 -5.439 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 4 -ATOM 5084 C C . LYS A 1 20 ? -13.471 -3.751 -4.306 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 4 -ATOM 5085 O O . LYS A 1 20 ? -14.519 -3.966 -3.688 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 4 -ATOM 5086 C CB . LYS A 1 20 ? -12.242 -5.903 -4.896 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 4 -ATOM 5087 C CG . LYS A 1 20 ? -12.904 -6.772 -3.854 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 4 -ATOM 5088 C CD . LYS A 1 20 ? -11.909 -7.854 -3.476 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 4 -ATOM 5089 C CE . LYS A 1 20 ? -12.362 -8.739 -2.345 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 4 -ATOM 5090 N NZ . LYS A 1 20 ? -11.325 -9.747 -2.032 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 4 -ATOM 5091 H H . LYS A 1 20 ? -11.111 -4.216 -6.240 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 4 -ATOM 5092 H HA . LYS A 1 20 ? -13.841 -5.025 -6.024 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 4 -ATOM 5093 H HB2 . LYS A 1 20 ? -11.990 -6.547 -5.724 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 4 -ATOM 5094 H HB3 . LYS A 1 20 ? -11.318 -5.529 -4.479 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 4 -ATOM 5095 H HG2 . LYS A 1 20 ? -13.149 -6.170 -2.991 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 4 -ATOM 5096 H HG3 . LYS A 1 20 ? -13.790 -7.230 -4.267 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 4 -ATOM 5097 H HD2 . LYS A 1 20 ? -11.727 -8.480 -4.336 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 4 -ATOM 5098 H HD3 . LYS A 1 20 ? -10.980 -7.377 -3.195 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 4 -ATOM 5099 H HE2 . LYS A 1 20 ? -12.543 -8.123 -1.476 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 4 -ATOM 5100 H HE3 . LYS A 1 20 ? -13.274 -9.241 -2.630 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 4 -ATOM 5101 H HZ1 . LYS A 1 20 ? -11.212 -10.421 -2.814 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 4 -ATOM 5102 H HZ2 . LYS A 1 20 ? -11.532 -10.274 -1.161 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 4 -ATOM 5103 H HZ3 . LYS A 1 20 ? -10.396 -9.286 -1.895 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 4 -ATOM 5104 N N . LEU A 1 21 ? -12.687 -2.726 -4.043 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 4 -ATOM 5105 C CA . LEU A 1 21 ? -13.026 -1.695 -3.071 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 4 -ATOM 5106 C C . LEU A 1 21 ? -14.056 -0.725 -3.628 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 4 -ATOM 5107 O O . LEU A 1 21 ? -14.306 -0.676 -4.850 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 4 -ATOM 5108 C CB . LEU A 1 21 ? -11.777 -0.907 -2.656 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 4 -ATOM 5109 C CG . LEU A 1 21 ? -11.094 -1.295 -1.344 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 4 -ATOM 5110 C CD1 . LEU A 1 21 ? -10.711 -2.759 -1.303 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 4 -ATOM 5111 C CD2 . LEU A 1 21 ? -9.886 -0.419 -1.129 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 4 -ATOM 5112 H H . LEU A 1 21 ? -11.829 -2.669 -4.514 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 4 -ATOM 5113 H HA . LEU A 1 21 ? -13.433 -2.175 -2.195 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 4 -ATOM 5114 H HB2 . LEU A 1 21 ? -11.047 -1.007 -3.447 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 4 -ATOM 5115 H HB3 . LEU A 1 21 ? -12.059 0.134 -2.594 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 4 -ATOM 5116 H HG . LEU A 1 21 ? -11.774 -1.111 -0.529 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 4 -ATOM 5117 H HD11 . LEU A 1 21 ? -10.024 -2.977 -2.108 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 4 -ATOM 5118 H HD12 . LEU A 1 21 ? -11.603 -3.358 -1.419 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 4 -ATOM 5119 H HD13 . LEU A 1 21 ? -10.246 -2.981 -0.355 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 4 -ATOM 5120 H HD21 . LEU A 1 21 ? -9.179 -0.572 -1.931 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 4 -ATOM 5121 H HD22 . LEU A 1 21 ? -9.426 -0.650 -0.179 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 4 -ATOM 5122 H HD23 . LEU A 1 21 ? -10.215 0.610 -1.135 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 4 -ATOM 5123 N N . GLY A 1 22 ? -14.640 0.043 -2.744 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 4 -ATOM 5124 C CA . GLY A 1 22 ? -15.575 1.063 -3.147 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 4 -ATOM 5125 C C . GLY A 1 22 ? -14.828 2.268 -3.677 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 4 -ATOM 5126 O O . GLY A 1 22 ? -13.667 2.485 -3.292 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 4 -ATOM 5127 H H . GLY A 1 22 ? -14.428 -0.081 -1.792 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 4 -ATOM 5128 H HA2 . GLY A 1 22 ? -16.219 0.667 -3.919 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 4 -ATOM 5129 H HA3 . GLY A 1 22 ? -16.170 1.359 -2.297 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 4 -ATOM 5130 N N . SER A 1 23 ? -15.468 3.038 -4.541 1.00 0.00 ? ? ? ? ? ? 20 SER A N 4 -ATOM 5131 C CA . SER A 1 23 ? -14.864 4.195 -5.178 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 4 -ATOM 5132 C C . SER A 1 23 ? -14.297 5.202 -4.167 1.00 0.00 ? ? ? ? ? ? 20 SER A C 4 -ATOM 5133 O O . SER A 1 23 ? -13.166 5.658 -4.309 1.00 0.00 ? ? ? ? ? ? 20 SER A O 4 -ATOM 5134 C CB . SER A 1 23 ? -15.886 4.845 -6.107 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 4 -ATOM 5135 O OG . SER A 1 23 ? -17.133 5.023 -5.439 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 4 -ATOM 5136 H H . SER A 1 23 ? -16.396 2.841 -4.785 1.00 0.00 ? ? ? ? ? ? 20 SER A H 4 -ATOM 5137 H HA . SER A 1 23 ? -14.046 3.835 -5.786 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 4 -ATOM 5138 H HB2 . SER A 1 23 ? -15.518 5.810 -6.425 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 4 -ATOM 5139 H HB3 . SER A 1 23 ? -16.039 4.215 -6.970 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 4 -ATOM 5140 H HG . SER A 1 23 ? -17.555 5.781 -5.864 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 4 -ATOM 5141 N N . THR A 1 24 ? -15.066 5.520 -3.155 1.00 0.00 ? ? ? ? ? ? 21 THR A N 4 -ATOM 5142 C CA . THR A 1 24 ? -14.633 6.442 -2.139 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 4 -ATOM 5143 C C . THR A 1 24 ? -13.524 5.812 -1.295 1.00 0.00 ? ? ? ? ? ? 21 THR A C 4 -ATOM 5144 O O . THR A 1 24 ? -12.512 6.444 -1.026 1.00 0.00 ? ? ? ? ? ? 21 THR A O 4 -ATOM 5145 C CB . THR A 1 24 ? -15.810 6.860 -1.239 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 4 -ATOM 5146 O OG1 . THR A 1 24 ? -16.926 7.219 -2.076 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 4 -ATOM 5147 C CG2 . THR A 1 24 ? -15.429 8.064 -0.379 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 4 -ATOM 5148 H H . THR A 1 24 ? -15.953 5.110 -3.079 1.00 0.00 ? ? ? ? ? ? 21 THR A H 4 -ATOM 5149 H HA . THR A 1 24 ? -14.241 7.321 -2.632 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 4 -ATOM 5150 H HB . THR A 1 24 ? -16.082 6.034 -0.598 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 4 -ATOM 5151 H HG1 . THR A 1 24 ? -17.621 6.564 -1.919 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 4 -ATOM 5152 H HG21 . THR A 1 24 ? -14.588 7.808 0.249 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 4 -ATOM 5153 H HG22 . THR A 1 24 ? -16.269 8.344 0.238 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 4 -ATOM 5154 H HG23 . THR A 1 24 ? -15.163 8.894 -1.017 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 4 -ATOM 5155 N N . VAL A 1 25 ? -13.704 4.540 -0.953 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 4 -ATOM 5156 C CA . VAL A 1 25 ? -12.774 3.808 -0.088 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 4 -ATOM 5157 C C . VAL A 1 25 ? -11.387 3.725 -0.710 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 4 -ATOM 5158 O O . VAL A 1 25 ? -10.387 4.054 -0.056 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 4 -ATOM 5159 C CB . VAL A 1 25 ? -13.295 2.374 0.229 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 4 -ATOM 5160 C CG1 . VAL A 1 25 ? -12.250 1.567 0.970 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 4 -ATOM 5161 C CG2 . VAL A 1 25 ? -14.556 2.446 1.067 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 4 -ATOM 5162 H H . VAL A 1 25 ? -14.492 4.081 -1.316 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 4 -ATOM 5163 H HA . VAL A 1 25 ? -12.699 4.355 0.841 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 4 -ATOM 5164 H HB . VAL A 1 25 ? -13.532 1.874 -0.698 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 4 -ATOM 5165 H HG11 . VAL A 1 25 ? -11.355 1.503 0.369 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 4 -ATOM 5166 H HG12 . VAL A 1 25 ? -12.630 0.573 1.160 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 4 -ATOM 5167 H HG13 . VAL A 1 25 ? -12.019 2.051 1.908 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 4 -ATOM 5168 H HG21 . VAL A 1 25 ? -14.924 1.449 1.255 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 4 -ATOM 5169 H HG22 . VAL A 1 25 ? -15.305 3.024 0.549 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 4 -ATOM 5170 H HG23 . VAL A 1 25 ? -14.329 2.924 2.009 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 4 -ATOM 5171 N N . ARG A 1 26 ? -11.332 3.348 -1.984 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 4 -ATOM 5172 C CA . ARG A 1 26 ? -10.062 3.274 -2.685 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 4 -ATOM 5173 C C . ARG A 1 26 ? -9.452 4.672 -2.757 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 4 -ATOM 5174 O O . ARG A 1 26 ? -8.272 4.847 -2.546 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 4 -ATOM 5175 C CB . ARG A 1 26 ? -10.209 2.697 -4.122 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 4 -ATOM 5176 C CG . ARG A 1 26 ? -11.163 3.500 -4.976 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 4 -ATOM 5177 C CD . ARG A 1 26 ? -10.858 3.479 -6.450 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 4 -ATOM 5178 N NE . ARG A 1 26 ? -11.595 4.570 -7.104 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 4 -ATOM 5179 C CZ . ARG A 1 26 ? -11.717 4.773 -8.414 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 4 -ATOM 5180 N NH1 . ARG A 1 26 ? -11.325 3.846 -9.284 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 4 -ATOM 5181 N NH2 . ARG A 1 26 ? -12.274 5.904 -8.845 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 4 -ATOM 5182 H H . ARG A 1 26 ? -12.172 3.113 -2.443 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 4 -ATOM 5183 H HA . ARG A 1 26 ? -9.405 2.640 -2.109 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 4 -ATOM 5184 H HB2 . ARG A 1 26 ? -9.239 2.696 -4.599 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 4 -ATOM 5185 H HB3 . ARG A 1 26 ? -10.574 1.683 -4.057 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 4 -ATOM 5186 H HG2 . ARG A 1 26 ? -12.148 3.078 -4.843 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 4 -ATOM 5187 H HG3 . ARG A 1 26 ? -11.191 4.519 -4.622 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 4 -ATOM 5188 H HD2 . ARG A 1 26 ? -9.797 3.629 -6.592 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 4 -ATOM 5189 H HD3 . ARG A 1 26 ? -11.156 2.540 -6.888 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 4 -ATOM 5190 H HE . ARG A 1 26 ? -11.976 5.229 -6.479 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 4 -ATOM 5191 H HH11 . ARG A 1 26 ? -10.935 2.970 -8.988 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 4 -ATOM 5192 H HH12 . ARG A 1 26 ? -11.405 3.981 -10.275 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 4 -ATOM 5193 H HH21 . ARG A 1 26 ? -12.592 6.610 -8.194 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 4 -ATOM 5194 H HH22 . ARG A 1 26 ? -12.411 6.106 -9.819 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 4 -ATOM 5195 N N . GLU A 1 27 ? -10.285 5.659 -3.026 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 4 -ATOM 5196 C CA . GLU A 1 27 ? -9.836 7.004 -3.174 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 4 -ATOM 5197 C C . GLU A 1 27 ? -9.319 7.645 -1.894 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 4 -ATOM 5198 O O . GLU A 1 27 ? -8.388 8.419 -1.952 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 4 -ATOM 5199 C CB . GLU A 1 27 ? -10.786 7.845 -4.012 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 4 -ATOM 5200 C CG . GLU A 1 27 ? -10.711 7.416 -5.481 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 4 -ATOM 5201 C CD . GLU A 1 27 ? -11.566 8.205 -6.434 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 4 -ATOM 5202 O OE1 . GLU A 1 27 ? -11.120 9.274 -6.901 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 4 -ATOM 5203 O OE2 . GLU A 1 27 ? -12.663 7.732 -6.802 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 4 -ATOM 5204 H H . GLU A 1 27 ? -11.246 5.478 -3.105 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 4 -ATOM 5205 H HA . GLU A 1 27 ? -8.938 6.866 -3.759 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 4 -ATOM 5206 H HB2 . GLU A 1 27 ? -11.789 7.671 -3.642 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 4 -ATOM 5207 H HB3 . GLU A 1 27 ? -10.526 8.889 -3.935 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 4 -ATOM 5208 H HG2 . GLU A 1 27 ? -9.687 7.514 -5.810 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 4 -ATOM 5209 H HG3 . GLU A 1 27 ? -10.992 6.376 -5.542 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 4 -ATOM 5210 N N . GLN A 1 28 ? -9.897 7.293 -0.743 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 4 -ATOM 5211 C CA . GLN A 1 28 ? -9.375 7.726 0.553 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 4 -ATOM 5212 C C . GLN A 1 28 ? -7.948 7.211 0.710 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 4 -ATOM 5213 O O . GLN A 1 28 ? -7.043 7.942 1.117 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 4 -ATOM 5214 C CB . GLN A 1 28 ? -10.219 7.165 1.703 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 4 -ATOM 5215 C CG . GLN A 1 28 ? -11.688 7.550 1.705 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 4 -ATOM 5216 C CD . GLN A 1 28 ? -11.910 9.034 1.756 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 4 -ATOM 5217 O OE1 . GLN A 1 28 ? -11.989 9.624 2.827 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 4 -ATOM 5218 N NE2 . GLN A 1 28 ? -12.032 9.643 0.619 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 4 -ATOM 5219 H H . GLN A 1 28 ? -10.721 6.761 -0.753 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 4 -ATOM 5220 H HA . GLN A 1 28 ? -9.375 8.805 0.598 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 4 -ATOM 5221 H HB2 . GLN A 1 28 ? -10.182 6.090 1.635 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 4 -ATOM 5222 H HB3 . GLN A 1 28 ? -9.780 7.470 2.641 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 4 -ATOM 5223 H HG2 . GLN A 1 28 ? -12.143 7.173 0.801 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 4 -ATOM 5224 H HG3 . GLN A 1 28 ? -12.167 7.098 2.563 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 4 -ATOM 5225 H HE21 . GLN A 1 28 ? -11.978 9.128 -0.213 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 4 -ATOM 5226 H HE22 . GLN A 1 28 ? -12.182 10.611 0.629 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 4 -ATOM 5227 N N . LEU A 1 29 ? -7.756 5.950 0.350 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 4 -ATOM 5228 C CA . LEU A 1 29 ? -6.451 5.319 0.409 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 4 -ATOM 5229 C C . LEU A 1 29 ? -5.511 5.953 -0.606 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 4 -ATOM 5230 O O . LEU A 1 29 ? -4.360 6.214 -0.306 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 4 -ATOM 5231 C CB . LEU A 1 29 ? -6.576 3.813 0.184 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 4 -ATOM 5232 C CG . LEU A 1 29 ? -7.354 3.038 1.259 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 4 -ATOM 5233 C CD1 . LEU A 1 29 ? -7.493 1.584 0.874 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 4 -ATOM 5234 C CD2 . LEU A 1 29 ? -6.671 3.155 2.618 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 4 -ATOM 5235 H H . LEU A 1 29 ? -8.524 5.426 0.032 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 4 -ATOM 5236 H HA . LEU A 1 29 ? -6.051 5.496 1.396 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 4 -ATOM 5237 H HB2 . LEU A 1 29 ? -7.069 3.665 -0.766 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 4 -ATOM 5238 H HB3 . LEU A 1 29 ? -5.580 3.401 0.116 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 4 -ATOM 5239 H HG . LEU A 1 29 ? -8.347 3.454 1.342 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 4 -ATOM 5240 H HD11 . LEU A 1 29 ? -8.041 1.059 1.643 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 4 -ATOM 5241 H HD12 . LEU A 1 29 ? -6.511 1.147 0.767 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 4 -ATOM 5242 H HD13 . LEU A 1 29 ? -8.026 1.510 -0.062 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 4 -ATOM 5243 H HD21 . LEU A 1 29 ? -7.212 2.566 3.343 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 4 -ATOM 5244 H HD22 . LEU A 1 29 ? -6.666 4.187 2.937 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 4 -ATOM 5245 H HD23 . LEU A 1 29 ? -5.656 2.792 2.546 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 4 -ATOM 5246 N N . LYS A 1 30 ? -6.034 6.219 -1.791 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 4 -ATOM 5247 C CA . LYS A 1 30 ? -5.311 6.910 -2.863 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 4 -ATOM 5248 C C . LYS A 1 30 ? -4.823 8.273 -2.367 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 4 -ATOM 5249 O O . LYS A 1 30 ? -3.698 8.675 -2.633 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 4 -ATOM 5250 C CB . LYS A 1 30 ? -6.247 7.138 -4.041 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 4 -ATOM 5251 C CG . LYS A 1 30 ? -5.613 7.850 -5.225 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 4 -ATOM 5252 C CD . LYS A 1 30 ? -6.663 8.370 -6.192 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 4 -ATOM 5253 C CE . LYS A 1 30 ? -7.494 9.483 -5.551 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 4 -ATOM 5254 N NZ . LYS A 1 30 ? -8.497 10.041 -6.469 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 4 -ATOM 5255 H H . LYS A 1 30 ? -6.949 5.896 -1.958 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 4 -ATOM 5256 H HA . LYS A 1 30 ? -4.475 6.306 -3.183 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 4 -ATOM 5257 H HB2 . LYS A 1 30 ? -6.629 6.185 -4.375 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 4 -ATOM 5258 H HB3 . LYS A 1 30 ? -7.068 7.737 -3.678 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 4 -ATOM 5259 H HG2 . LYS A 1 30 ? -5.045 8.686 -4.845 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 4 -ATOM 5260 H HG3 . LYS A 1 30 ? -4.954 7.166 -5.741 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 4 -ATOM 5261 H HD2 . LYS A 1 30 ? -6.175 8.754 -7.075 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 4 -ATOM 5262 H HD3 . LYS A 1 30 ? -7.320 7.557 -6.464 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 4 -ATOM 5263 H HE2 . LYS A 1 30 ? -8.013 9.099 -4.687 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 4 -ATOM 5264 H HE3 . LYS A 1 30 ? -6.822 10.273 -5.244 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 4 -ATOM 5265 H HZ1 . LYS A 1 30 ? -9.175 9.329 -6.814 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 4 -ATOM 5266 H HZ2 . LYS A 1 30 ? -8.054 10.494 -7.291 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 4 -ATOM 5267 H HZ3 . LYS A 1 30 ? -9.053 10.766 -5.972 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 4 -ATOM 5268 N N . LYS A 1 31 ? -5.697 8.972 -1.661 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 4 -ATOM 5269 C CA . LYS A 1 31 ? -5.381 10.254 -1.059 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 4 -ATOM 5270 C C . LYS A 1 31 ? -4.216 10.117 -0.091 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 4 -ATOM 5271 O O . LYS A 1 31 ? -3.313 10.948 -0.083 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 4 -ATOM 5272 C CB . LYS A 1 31 ? -6.618 10.844 -0.383 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 4 -ATOM 5273 C CG . LYS A 1 31 ? -7.660 11.358 -1.380 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 4 -ATOM 5274 C CD . LYS A 1 31 ? -9.068 11.408 -0.787 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 4 -ATOM 5275 C CE . LYS A 1 31 ? -9.162 12.222 0.480 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 4 -ATOM 5276 N NZ . LYS A 1 31 ? -8.904 13.656 0.245 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 4 -ATOM 5277 H H . LYS A 1 31 ? -6.605 8.605 -1.565 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 4 -ATOM 5278 H HA . LYS A 1 31 ? -5.081 10.908 -1.863 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 4 -ATOM 5279 H HB2 . LYS A 1 31 ? -7.073 10.089 0.241 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 4 -ATOM 5280 H HB3 . LYS A 1 31 ? -6.306 11.674 0.235 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 4 -ATOM 5281 H HG2 . LYS A 1 31 ? -7.383 12.350 -1.702 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 4 -ATOM 5282 H HG3 . LYS A 1 31 ? -7.665 10.692 -2.232 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 4 -ATOM 5283 H HD2 . LYS A 1 31 ? -9.719 11.866 -1.516 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 4 -ATOM 5284 H HD3 . LYS A 1 31 ? -9.404 10.401 -0.596 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 4 -ATOM 5285 H HE2 . LYS A 1 31 ? -10.150 12.072 0.890 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 4 -ATOM 5286 H HE3 . LYS A 1 31 ? -8.430 11.821 1.165 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 4 -ATOM 5287 H HZ1 . LYS A 1 31 ? -9.604 14.031 -0.425 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 4 -ATOM 5288 H HZ2 . LYS A 1 31 ? -7.965 13.827 -0.168 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 4 -ATOM 5289 H HZ3 . LYS A 1 31 ? -8.991 14.201 1.125 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 4 -ATOM 5290 N N . LYS A 1 32 ? -4.219 9.052 0.692 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 4 -ATOM 5291 C CA . LYS A 1 32 ? -3.098 8.764 1.574 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 4 -ATOM 5292 C C . LYS A 1 32 ? -1.847 8.433 0.792 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 4 -ATOM 5293 O O . LYS A 1 32 ? -0.765 8.855 1.157 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 4 -ATOM 5294 C CB . LYS A 1 32 ? -3.408 7.667 2.593 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 4 -ATOM 5295 C CG . LYS A 1 32 ? -3.986 8.182 3.910 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 4 -ATOM 5296 C CD . LYS A 1 32 ? -5.345 8.824 3.757 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 4 -ATOM 5297 C CE . LYS A 1 32 ? -5.816 9.404 5.078 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 4 -ATOM 5298 N NZ . LYS A 1 32 ? -4.991 10.565 5.508 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 4 -ATOM 5299 H H . LYS A 1 32 ? -4.993 8.448 0.670 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 4 -ATOM 5300 H HA . LYS A 1 32 ? -2.873 9.670 2.115 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 4 -ATOM 5301 H HB2 . LYS A 1 32 ? -4.119 6.981 2.157 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 4 -ATOM 5302 H HB3 . LYS A 1 32 ? -2.493 7.135 2.806 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 4 -ATOM 5303 H HG2 . LYS A 1 32 ? -4.086 7.356 4.599 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 4 -ATOM 5304 H HG3 . LYS A 1 32 ? -3.299 8.908 4.321 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 4 -ATOM 5305 H HD2 . LYS A 1 32 ? -5.274 9.614 3.024 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 4 -ATOM 5306 H HD3 . LYS A 1 32 ? -6.054 8.081 3.424 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 4 -ATOM 5307 H HE2 . LYS A 1 32 ? -6.851 9.699 5.000 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 4 -ATOM 5308 H HE3 . LYS A 1 32 ? -5.717 8.616 5.812 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 4 -ATOM 5309 H HZ1 . LYS A 1 32 ? -5.385 10.971 6.383 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 4 -ATOM 5310 H HZ2 . LYS A 1 32 ? -4.976 11.306 4.780 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 4 -ATOM 5311 H HZ3 . LYS A 1 32 ? -4.015 10.267 5.703 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 4 -ATOM 5312 N N . LEU A 1 33 ? -2.007 7.717 -0.296 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 4 -ATOM 5313 C CA . LEU A 1 33 ? -0.889 7.348 -1.139 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 4 -ATOM 5314 C C . LEU A 1 33 ? -0.242 8.568 -1.773 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 4 -ATOM 5315 O O . LEU A 1 33 ? 0.966 8.729 -1.710 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 4 -ATOM 5316 C CB . LEU A 1 33 ? -1.321 6.361 -2.226 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 4 -ATOM 5317 C CG . LEU A 1 33 ? -1.884 5.029 -1.739 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 4 -ATOM 5318 C CD1 . LEU A 1 33 ? -2.260 4.148 -2.914 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 4 -ATOM 5319 C CD2 . LEU A 1 33 ? -0.895 4.323 -0.822 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 4 -ATOM 5320 H H . LEU A 1 33 ? -2.911 7.405 -0.525 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 4 -ATOM 5321 H HA . LEU A 1 33 ? -0.160 6.860 -0.510 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 4 -ATOM 5322 H HB2 . LEU A 1 33 ? -2.074 6.845 -2.828 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 4 -ATOM 5323 H HB3 . LEU A 1 33 ? -0.465 6.156 -2.852 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 4 -ATOM 5324 H HG . LEU A 1 33 ? -2.786 5.225 -1.177 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 4 -ATOM 5325 H HD11 . LEU A 1 33 ? -1.384 3.967 -3.518 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 4 -ATOM 5326 H HD12 . LEU A 1 33 ? -3.013 4.643 -3.510 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 4 -ATOM 5327 H HD13 . LEU A 1 33 ? -2.646 3.207 -2.552 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 4 -ATOM 5328 H HD21 . LEU A 1 33 ? -0.728 4.930 0.055 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 4 -ATOM 5329 H HD22 . LEU A 1 33 ? 0.041 4.179 -1.342 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 4 -ATOM 5330 H HD23 . LEU A 1 33 ? -1.298 3.366 -0.526 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 4 -ATOM 5331 N N . VAL A 1 34 ? -1.052 9.452 -2.333 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 4 -ATOM 5332 C CA . VAL A 1 34 ? -0.531 10.630 -3.004 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 4 -ATOM 5333 C C . VAL A 1 34 ? 0.197 11.565 -2.015 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 4 -ATOM 5334 O O . VAL A 1 34 ? 1.266 12.104 -2.338 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 4 -ATOM 5335 C CB . VAL A 1 34 ? -1.626 11.386 -3.851 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 4 -ATOM 5336 C CG1 . VAL A 1 34 ? -2.727 11.982 -2.998 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 4 -ATOM 5337 C CG2 . VAL A 1 34 ? -1.013 12.445 -4.751 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 4 -ATOM 5338 H H . VAL A 1 34 ? -2.022 9.288 -2.301 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 4 -ATOM 5339 H HA . VAL A 1 34 ? 0.228 10.259 -3.680 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 4 -ATOM 5340 H HB . VAL A 1 34 ? -2.093 10.647 -4.485 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 4 -ATOM 5341 H HG11 . VAL A 1 34 ? -3.466 12.454 -3.628 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 4 -ATOM 5342 H HG12 . VAL A 1 34 ? -2.301 12.716 -2.331 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 4 -ATOM 5343 H HG13 . VAL A 1 34 ? -3.188 11.195 -2.420 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 4 -ATOM 5344 H HG21 . VAL A 1 34 ? -0.320 11.977 -5.433 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 4 -ATOM 5345 H HG22 . VAL A 1 34 ? -0.499 13.180 -4.148 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 4 -ATOM 5346 H HG23 . VAL A 1 34 ? -1.806 12.921 -5.310 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 4 -ATOM 5347 N N . GLU A 1 35 ? -0.364 11.740 -0.811 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 4 -ATOM 5348 C CA . GLU A 1 35 ? 0.282 12.564 0.204 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 4 -ATOM 5349 C C . GLU A 1 35 ? 1.556 11.903 0.748 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 4 -ATOM 5350 O O . GLU A 1 35 ? 2.583 12.554 0.881 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 4 -ATOM 5351 C CB . GLU A 1 35 ? -0.680 12.983 1.341 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 4 -ATOM 5352 C CG . GLU A 1 35 ? -1.265 11.842 2.149 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 4 -ATOM 5353 C CD . GLU A 1 35 ? -2.181 12.306 3.251 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 4 -ATOM 5354 O OE1 . GLU A 1 35 ? -3.401 12.443 3.021 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 4 -ATOM 5355 O OE2 . GLU A 1 35 ? -1.706 12.532 4.377 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 4 -ATOM 5356 H H . GLU A 1 35 ? -1.221 11.304 -0.608 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 4 -ATOM 5357 H HA . GLU A 1 35 ? 0.608 13.452 -0.316 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 4 -ATOM 5358 H HB2 . GLU A 1 35 ? -0.151 13.632 2.022 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 4 -ATOM 5359 H HB3 . GLU A 1 35 ? -1.497 13.535 0.901 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 4 -ATOM 5360 H HG2 . GLU A 1 35 ? -1.825 11.215 1.471 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 4 -ATOM 5361 H HG3 . GLU A 1 35 ? -0.455 11.270 2.577 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 4 -ATOM 5362 N N . VAL A 1 36 ? 1.489 10.593 1.006 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 4 -ATOM 5363 C CA . VAL A 1 36 ? 2.602 9.854 1.590 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 4 -ATOM 5364 C C . VAL A 1 36 ? 3.817 9.856 0.659 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 4 -ATOM 5365 O O . VAL A 1 36 ? 4.942 9.841 1.113 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 4 -ATOM 5366 C CB . VAL A 1 36 ? 2.223 8.397 2.036 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 4 -ATOM 5367 C CG1 . VAL A 1 36 ? 2.193 7.398 0.887 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 4 -ATOM 5368 C CG2 . VAL A 1 36 ? 3.111 7.921 3.168 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 4 -ATOM 5369 H H . VAL A 1 36 ? 0.656 10.103 0.817 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 4 -ATOM 5370 H HA . VAL A 1 36 ? 2.888 10.419 2.467 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 4 -ATOM 5371 H HB . VAL A 1 36 ? 1.212 8.452 2.414 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 4 -ATOM 5372 H HG11 . VAL A 1 36 ? 1.510 7.753 0.131 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 4 -ATOM 5373 H HG12 . VAL A 1 36 ? 1.864 6.435 1.250 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 4 -ATOM 5374 H HG13 . VAL A 1 36 ? 3.182 7.306 0.462 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 4 -ATOM 5375 H HG21 . VAL A 1 36 ? 2.865 6.898 3.417 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 4 -ATOM 5376 H HG22 . VAL A 1 36 ? 2.937 8.546 4.030 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 4 -ATOM 5377 H HG23 . VAL A 1 36 ? 4.146 7.989 2.871 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 4 -ATOM 5378 N N . LEU A 1 37 ? 3.559 9.898 -0.648 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 4 -ATOM 5379 C CA . LEU A 1 37 ? 4.600 9.882 -1.685 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 4 -ATOM 5380 C C . LEU A 1 37 ? 5.650 10.969 -1.521 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 4 -ATOM 5381 O O . LEU A 1 37 ? 6.772 10.794 -1.993 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 4 -ATOM 5382 C CB . LEU A 1 37 ? 4.007 9.983 -3.088 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 4 -ATOM 5383 C CG . LEU A 1 37 ? 3.245 8.775 -3.614 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 4 -ATOM 5384 C CD1 . LEU A 1 37 ? 2.686 9.072 -4.990 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 4 -ATOM 5385 C CD2 . LEU A 1 37 ? 4.150 7.562 -3.665 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 4 -ATOM 5386 H H . LEU A 1 37 ? 2.617 9.927 -0.923 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 4 -ATOM 5387 H HA . LEU A 1 37 ? 5.107 8.931 -1.612 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 4 -ATOM 5388 H HB2 . LEU A 1 37 ? 3.327 10.821 -3.085 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 4 -ATOM 5389 H HB3 . LEU A 1 37 ? 4.811 10.204 -3.774 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 4 -ATOM 5390 H HG . LEU A 1 37 ? 2.417 8.556 -2.956 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 4 -ATOM 5391 H HD11 . LEU A 1 37 ? 2.110 8.230 -5.341 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 4 -ATOM 5392 H HD12 . LEU A 1 37 ? 3.506 9.262 -5.667 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 4 -ATOM 5393 H HD13 . LEU A 1 37 ? 2.057 9.948 -4.943 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 4 -ATOM 5394 H HD21 . LEU A 1 37 ? 4.440 7.276 -2.666 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 4 -ATOM 5395 H HD22 . LEU A 1 37 ? 5.035 7.812 -4.233 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 4 -ATOM 5396 H HD23 . LEU A 1 37 ? 3.641 6.742 -4.148 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 4 -ATOM 5397 N N . GLU A 1 38 ? 5.307 12.092 -0.882 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 4 -ATOM 5398 C CA . GLU A 1 38 ? 6.294 13.151 -0.703 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 4 -ATOM 5399 C C . GLU A 1 38 ? 7.403 12.700 0.251 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 4 -ATOM 5400 O O . GLU A 1 38 ? 8.527 13.178 0.171 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 4 -ATOM 5401 C CB . GLU A 1 38 ? 5.672 14.476 -0.226 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 4 -ATOM 5402 C CG . GLU A 1 38 ? 5.004 14.417 1.135 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 4 -ATOM 5403 C CD . GLU A 1 38 ? 4.542 15.767 1.607 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 4 -ATOM 5404 O OE1 . GLU A 1 38 ? 3.444 16.217 1.218 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 4 -ATOM 5405 O OE2 . GLU A 1 38 ? 5.269 16.411 2.394 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 4 -ATOM 5406 H H . GLU A 1 38 ? 4.400 12.192 -0.516 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 4 -ATOM 5407 H HA . GLU A 1 38 ? 6.751 13.304 -1.669 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 4 -ATOM 5408 H HB2 . GLU A 1 38 ? 6.447 15.226 -0.181 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 4 -ATOM 5409 H HB3 . GLU A 1 38 ? 4.934 14.787 -0.951 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 4 -ATOM 5410 H HG2 . GLU A 1 38 ? 4.148 13.762 1.077 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 4 -ATOM 5411 H HG3 . GLU A 1 38 ? 5.710 14.023 1.851 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 4 -ATOM 5412 N N . SER A 1 39 ? 7.076 11.777 1.135 1.00 0.00 ? ? ? ? ? ? 36 SER A N 4 -ATOM 5413 C CA . SER A 1 39 ? 8.018 11.233 2.073 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 4 -ATOM 5414 C C . SER A 1 39 ? 7.515 9.926 2.675 1.00 0.00 ? ? ? ? ? ? 36 SER A C 4 -ATOM 5415 O O . SER A 1 39 ? 7.038 9.898 3.791 1.00 0.00 ? ? ? ? ? ? 36 SER A O 4 -ATOM 5416 C CB . SER A 1 39 ? 8.386 12.263 3.144 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 4 -ATOM 5417 O OG . SER A 1 39 ? 7.231 12.920 3.656 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 4 -ATOM 5418 H H . SER A 1 39 ? 6.160 11.418 1.155 1.00 0.00 ? ? ? ? ? ? 36 SER A H 4 -ATOM 5419 H HA . SER A 1 39 ? 8.908 10.986 1.519 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 4 -ATOM 5420 H HB2 . SER A 1 39 ? 8.882 11.763 3.962 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 4 -ATOM 5421 H HB3 . SER A 1 39 ? 9.044 13.006 2.725 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 4 -ATOM 5422 H HG . SER A 1 39 ? 7.366 13.858 3.472 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 4 -ATOM 5423 N N . PRO A 1 40 ? 7.608 8.807 1.923 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 4 -ATOM 5424 C CA . PRO A 1 40 ? 7.097 7.502 2.367 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 4 -ATOM 5425 C C . PRO A 1 40 ? 7.989 6.817 3.408 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 4 -ATOM 5426 O O . PRO A 1 40 ? 7.793 5.668 3.730 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 4 -ATOM 5427 C CB . PRO A 1 40 ? 7.054 6.691 1.074 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 4 -ATOM 5428 C CG . PRO A 1 40 ? 8.154 7.260 0.257 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 4 -ATOM 5429 C CD . PRO A 1 40 ? 8.168 8.732 0.558 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 4 -ATOM 5430 H HA . PRO A 1 40 ? 6.101 7.587 2.772 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 4 -ATOM 5431 H HB2 . PRO A 1 40 ? 7.214 5.646 1.291 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 4 -ATOM 5432 H HB3 . PRO A 1 40 ? 6.098 6.823 0.590 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 4 -ATOM 5433 H HG2 . PRO A 1 40 ? 9.093 6.813 0.550 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 4 -ATOM 5434 H HG3 . PRO A 1 40 ? 7.966 7.091 -0.792 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 4 -ATOM 5435 H HD2 . PRO A 1 40 ? 9.176 9.118 0.526 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 4 -ATOM 5436 H HD3 . PRO A 1 40 ? 7.533 9.258 -0.140 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 4 -ATOM 5437 N N . ARG A 1 41 ? 8.930 7.561 3.945 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 4 -ATOM 5438 C CA . ARG A 1 41 ? 9.867 7.088 4.974 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 4 -ATOM 5439 C C . ARG A 1 41 ? 9.277 7.217 6.387 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 4 -ATOM 5440 O O . ARG A 1 41 ? 10.002 7.319 7.374 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 4 -ATOM 5441 C CB . ARG A 1 41 ? 11.218 7.848 4.855 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 4 -ATOM 5442 C CG . ARG A 1 41 ? 11.140 9.380 4.582 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 4 -ATOM 5443 C CD . ARG A 1 41 ? 10.391 10.191 5.652 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 4 -ATOM 5444 N NE . ARG A 1 41 ? 10.972 10.073 6.996 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 4 -ATOM 5445 C CZ . ARG A 1 41 ? 10.563 10.781 8.071 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 4 -ATOM 5446 N NH1 . ARG A 1 41 ? 9.660 11.756 7.934 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 4 -ATOM 5447 N NH2 . ARG A 1 41 ? 11.072 10.525 9.274 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 4 -ATOM 5448 H H . ARG A 1 41 ? 8.983 8.484 3.629 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 4 -ATOM 5449 H HA . ARG A 1 41 ? 10.046 6.040 4.783 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 4 -ATOM 5450 H HB2 . ARG A 1 41 ? 11.759 7.715 5.779 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 4 -ATOM 5451 H HB3 . ARG A 1 41 ? 11.792 7.396 4.060 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 4 -ATOM 5452 H HG2 . ARG A 1 41 ? 12.144 9.767 4.511 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 4 -ATOM 5453 H HG3 . ARG A 1 41 ? 10.650 9.522 3.629 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 4 -ATOM 5454 H HD2 . ARG A 1 41 ? 10.413 11.232 5.368 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 4 -ATOM 5455 H HD3 . ARG A 1 41 ? 9.365 9.855 5.682 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 4 -ATOM 5456 H HE . ARG A 1 41 ? 11.675 9.389 7.083 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 4 -ATOM 5457 H HH11 . ARG A 1 41 ? 9.255 12.010 7.050 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 4 -ATOM 5458 H HH12 . ARG A 1 41 ? 9.329 12.299 8.711 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 4 -ATOM 5459 H HH21 . ARG A 1 41 ? 11.762 9.814 9.441 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 4 -ATOM 5460 H HH22 . ARG A 1 41 ? 10.790 11.049 10.083 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 4 -ATOM 5461 N N . ILE A 1 42 ? 7.982 7.148 6.465 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 4 -ATOM 5462 C CA . ILE A 1 42 ? 7.260 7.353 7.693 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 4 -ATOM 5463 C C . ILE A 1 42 ? 7.245 6.070 8.512 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 4 -ATOM 5464 O O . ILE A 1 42 ? 6.407 5.181 8.315 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 4 -ATOM 5465 C CB . ILE A 1 42 ? 5.834 7.886 7.377 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 4 -ATOM 5466 C CG1 . ILE A 1 42 ? 5.999 9.223 6.647 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 4 -ATOM 5467 C CG2 . ILE A 1 42 ? 4.982 8.049 8.643 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 4 -ATOM 5468 C CD1 . ILE A 1 42 ? 4.748 9.810 6.052 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 4 -ATOM 5469 H H . ILE A 1 42 ? 7.494 6.909 5.650 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 4 -ATOM 5470 H HA . ILE A 1 42 ? 7.793 8.106 8.256 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 4 -ATOM 5471 H HB . ILE A 1 42 ? 5.340 7.198 6.707 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 4 -ATOM 5472 H HG12 . ILE A 1 42 ? 6.387 9.950 7.344 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 4 -ATOM 5473 H HG13 . ILE A 1 42 ? 6.716 9.090 5.850 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 4 -ATOM 5474 H HG21 . ILE A 1 42 ? 5.438 8.776 9.296 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 4 -ATOM 5475 H HG22 . ILE A 1 42 ? 4.917 7.100 9.156 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 4 -ATOM 5476 H HG23 . ILE A 1 42 ? 3.990 8.376 8.371 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 4 -ATOM 5477 H HD11 . ILE A 1 42 ? 5.049 10.685 5.490 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 4 -ATOM 5478 H HD12 . ILE A 1 42 ? 4.049 10.084 6.828 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 4 -ATOM 5479 H HD13 . ILE A 1 42 ? 4.311 9.094 5.373 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 4 -ATOM 5480 N N . GLU A 1 43 ? 8.217 5.985 9.411 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 4 -ATOM 5481 C CA . GLU A 1 43 ? 8.456 4.823 10.254 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 4 -ATOM 5482 C C . GLU A 1 43 ? 7.255 4.454 11.115 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 4 -ATOM 5483 O O . GLU A 1 43 ? 7.108 3.297 11.508 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 4 -ATOM 5484 C CB . GLU A 1 43 ? 9.707 5.016 11.114 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 4 -ATOM 5485 C CG . GLU A 1 43 ? 9.679 6.262 11.976 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 4 -ATOM 5486 C CD . GLU A 1 43 ? 10.865 6.369 12.886 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 4 -ATOM 5487 O OE1 . GLU A 1 43 ? 11.896 6.951 12.485 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 4 -ATOM 5488 O OE2 . GLU A 1 43 ? 10.789 5.896 14.042 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 4 -ATOM 5489 H H . GLU A 1 43 ? 8.814 6.759 9.499 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 4 -ATOM 5490 H HA . GLU A 1 43 ? 8.642 3.997 9.584 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 4 -ATOM 5491 H HB2 . GLU A 1 43 ? 9.826 4.160 11.761 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 4 -ATOM 5492 H HB3 . GLU A 1 43 ? 10.564 5.080 10.461 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 4 -ATOM 5493 H HG2 . GLU A 1 43 ? 9.667 7.127 11.330 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 4 -ATOM 5494 H HG3 . GLU A 1 43 ? 8.778 6.247 12.571 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 4 -ATOM 5495 N N . ALA A 1 44 ? 6.381 5.419 11.372 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 4 -ATOM 5496 C CA . ALA A 1 44 ? 5.170 5.178 12.151 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 4 -ATOM 5497 C C . ALA A 1 44 ? 4.229 4.219 11.411 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 4 -ATOM 5498 O O . ALA A 1 44 ? 3.360 3.588 12.014 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 4 -ATOM 5499 C CB . ALA A 1 44 ? 4.462 6.493 12.449 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 4 -ATOM 5500 H H . ALA A 1 44 ? 6.575 6.326 11.043 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 4 -ATOM 5501 H HA . ALA A 1 44 ? 5.462 4.723 13.086 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 4 -ATOM 5502 H HB1 . ALA A 1 44 ? 5.137 7.157 12.970 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 4 -ATOM 5503 H HB2 . ALA A 1 44 ? 3.597 6.304 13.068 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 4 -ATOM 5504 H HB3 . ALA A 1 44 ? 4.148 6.952 11.523 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 4 -ATOM 5505 N N . ASN A 1 45 ? 4.419 4.099 10.105 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 4 -ATOM 5506 C CA . ASN A 1 45 ? 3.607 3.214 9.282 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 4 -ATOM 5507 C C . ASN A 1 45 ? 4.374 1.965 8.893 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 4 -ATOM 5508 O O . ASN A 1 45 ? 3.801 1.039 8.334 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 4 -ATOM 5509 C CB . ASN A 1 45 ? 3.142 3.917 7.988 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 4 -ATOM 5510 C CG . ASN A 1 45 ? 2.136 5.029 8.202 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 4 -ATOM 5511 O OD1 . ASN A 1 45 ? 1.352 5.011 9.156 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 4 -ATOM 5512 N ND2 . ASN A 1 45 ? 2.130 5.993 7.312 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 4 -ATOM 5513 H H . ASN A 1 45 ? 5.134 4.618 9.673 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 4 -ATOM 5514 H HA . ASN A 1 45 ? 2.731 2.933 9.847 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 4 -ATOM 5515 H HB2 . ASN A 1 45 ? 4.002 4.347 7.500 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 4 -ATOM 5516 H HB3 . ASN A 1 45 ? 2.703 3.180 7.331 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 4 -ATOM 5517 H HD21 . ASN A 1 45 ? 2.764 5.948 6.566 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 4 -ATOM 5518 H HD22 . ASN A 1 45 ? 1.476 6.718 7.414 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 4 -ATOM 5519 N N . LYS A 1 46 ? 5.659 1.931 9.192 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 4 -ATOM 5520 C CA . LYS A 1 46 ? 6.511 0.890 8.742 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 4 -ATOM 5521 C C . LYS A 1 46 ? 6.315 -0.405 9.518 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 4 -ATOM 5522 O O . LYS A 1 46 ? 6.200 -0.409 10.750 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 4 -ATOM 5523 C CB . LYS A 1 46 ? 7.948 1.360 8.820 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 4 -ATOM 5524 C CG . LYS A 1 46 ? 8.832 0.618 7.891 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 4 -ATOM 5525 C CD . LYS A 1 46 ? 10.230 1.210 7.817 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 4 -ATOM 5526 C CE . LYS A 1 46 ? 11.014 0.572 6.680 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 4 -ATOM 5527 N NZ . LYS A 1 46 ? 12.339 1.184 6.465 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 4 -ATOM 5528 H H . LYS A 1 46 ? 6.102 2.610 9.735 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 4 -ATOM 5529 H HA . LYS A 1 46 ? 6.283 0.710 7.703 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 4 -ATOM 5530 H HB2 . LYS A 1 46 ? 7.982 2.405 8.552 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 4 -ATOM 5531 H HB3 . LYS A 1 46 ? 8.309 1.223 9.827 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 4 -ATOM 5532 H HG2 . LYS A 1 46 ? 8.847 -0.409 8.216 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 4 -ATOM 5533 H HG3 . LYS A 1 46 ? 8.332 0.714 6.941 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 4 -ATOM 5534 H HD2 . LYS A 1 46 ? 10.164 2.274 7.649 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 4 -ATOM 5535 H HD3 . LYS A 1 46 ? 10.739 1.013 8.748 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 4 -ATOM 5536 H HE2 . LYS A 1 46 ? 11.150 -0.477 6.882 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 4 -ATOM 5537 H HE3 . LYS A 1 46 ? 10.434 0.682 5.775 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 4 -ATOM 5538 H HZ1 . LYS A 1 46 ? 12.948 1.151 7.306 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 4 -ATOM 5539 H HZ2 . LYS A 1 46 ? 12.257 2.179 6.177 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 4 -ATOM 5540 H HZ3 . LYS A 1 46 ? 12.828 0.681 5.690 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 4 -ATOM 5541 N N . LEU A 1 47 ? 6.282 -1.482 8.781 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 4 -ATOM 5542 C CA . LEU A 1 47 ? 6.119 -2.810 9.308 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 4 -ATOM 5543 C C . LEU A 1 47 ? 7.440 -3.325 9.808 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 4 -ATOM 5544 O O . LEU A 1 47 ? 8.485 -3.116 9.172 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 4 -ATOM 5545 C CB . LEU A 1 47 ? 5.583 -3.750 8.236 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 4 -ATOM 5546 C CG . LEU A 1 47 ? 4.187 -3.454 7.713 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 4 -ATOM 5547 C CD1 . LEU A 1 47 ? 3.804 -4.434 6.635 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 4 -ATOM 5548 C CD2 . LEU A 1 47 ? 3.190 -3.530 8.826 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 4 -ATOM 5549 H H . LEU A 1 47 ? 6.397 -1.378 7.808 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 4 -ATOM 5550 H HA . LEU A 1 47 ? 5.411 -2.767 10.120 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 4 -ATOM 5551 H HB2 . LEU A 1 47 ? 6.259 -3.698 7.395 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 4 -ATOM 5552 H HB3 . LEU A 1 47 ? 5.595 -4.758 8.625 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 4 -ATOM 5553 H HG . LEU A 1 47 ? 4.156 -2.457 7.300 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 4 -ATOM 5554 H HD11 . LEU A 1 47 ? 4.493 -4.361 5.808 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 4 -ATOM 5555 H HD12 . LEU A 1 47 ? 2.803 -4.202 6.303 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 4 -ATOM 5556 H HD13 . LEU A 1 47 ? 3.824 -5.434 7.042 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 4 -ATOM 5557 H HD21 . LEU A 1 47 ? 3.374 -2.750 9.550 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 4 -ATOM 5558 H HD22 . LEU A 1 47 ? 3.258 -4.496 9.304 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 4 -ATOM 5559 H HD23 . LEU A 1 47 ? 2.211 -3.405 8.391 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 4 -ATOM 5560 N N . ARG A 1 48 ? 7.404 -3.988 10.918 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 4 -ATOM 5561 C CA . ARG A 1 48 ? 8.579 -4.502 11.527 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 4 -ATOM 5562 C C . ARG A 1 48 ? 8.814 -5.932 11.043 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 4 -ATOM 5563 O O . ARG A 1 48 ? 7.945 -6.802 11.185 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 4 -ATOM 5564 C CB . ARG A 1 48 ? 8.421 -4.474 13.047 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 4 -ATOM 5565 C CG . ARG A 1 48 ? 7.965 -3.129 13.635 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 4 -ATOM 5566 C CD . ARG A 1 48 ? 8.859 -1.957 13.224 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 4 -ATOM 5567 N NE . ARG A 1 48 ? 10.252 -2.144 13.622 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 4 -ATOM 5568 C CZ . ARG A 1 48 ? 11.051 -1.202 14.142 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 4 -ATOM 5569 N NH1 . ARG A 1 48 ? 10.587 0.018 14.428 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 4 -ATOM 5570 N NH2 . ARG A 1 48 ? 12.311 -1.485 14.371 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 4 -ATOM 5571 H H . ARG A 1 48 ? 6.546 -4.159 11.364 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 4 -ATOM 5572 H HA . ARG A 1 48 ? 9.411 -3.874 11.248 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 4 -ATOM 5573 H HB2 . ARG A 1 48 ? 7.697 -5.225 13.325 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 4 -ATOM 5574 H HB3 . ARG A 1 48 ? 9.368 -4.735 13.484 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 4 -ATOM 5575 H HG2 . ARG A 1 48 ? 6.960 -2.922 13.299 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 4 -ATOM 5576 H HG3 . ARG A 1 48 ? 7.966 -3.210 14.713 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 4 -ATOM 5577 H HD2 . ARG A 1 48 ? 8.819 -1.849 12.151 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 4 -ATOM 5578 H HD3 . ARG A 1 48 ? 8.482 -1.055 13.682 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 4 -ATOM 5579 H HE . ARG A 1 48 ? 10.617 -3.045 13.456 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 4 -ATOM 5580 H HH11 . ARG A 1 48 ? 9.638 0.298 14.264 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 4 -ATOM 5581 H HH12 . ARG A 1 48 ? 11.183 0.715 14.838 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 4 -ATOM 5582 H HH21 . ARG A 1 48 ? 12.687 -2.394 14.158 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 4 -ATOM 5583 H HH22 . ARG A 1 48 ? 12.957 -0.817 14.748 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 4 -ATOM 5584 N N . GLY A 1 49 ? 9.956 -6.169 10.437 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 4 -ATOM 5585 C CA . GLY A 1 49 ? 10.268 -7.500 9.946 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 4 -ATOM 5586 C C . GLY A 1 49 ? 9.775 -7.712 8.534 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 4 -ATOM 5587 O O . GLY A 1 49 ? 9.651 -8.838 8.068 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 4 -ATOM 5588 H H . GLY A 1 49 ? 10.606 -5.440 10.313 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 4 -ATOM 5589 H HA2 . GLY A 1 49 ? 11.338 -7.642 9.969 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 4 -ATOM 5590 H HA3 . GLY A 1 49 ? 9.803 -8.231 10.592 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 4 -ATOM 5591 N N . MET A 1 50 ? 9.470 -6.638 7.874 1.00 0.00 ? ? ? ? ? ? 47 MET A N 4 -ATOM 5592 C CA . MET A 1 50 ? 9.013 -6.664 6.506 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 4 -ATOM 5593 C C . MET A 1 50 ? 9.895 -5.743 5.709 1.00 0.00 ? ? ? ? ? ? 47 MET A C 4 -ATOM 5594 O O . MET A 1 50 ? 10.135 -4.614 6.152 1.00 0.00 ? ? ? ? ? ? 47 MET A O 4 -ATOM 5595 C CB . MET A 1 50 ? 7.555 -6.203 6.410 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 4 -ATOM 5596 C CG . MET A 1 50 ? 6.522 -7.198 6.929 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 4 -ATOM 5597 S SD . MET A 1 50 ? 6.318 -8.642 5.851 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 4 -ATOM 5598 C CE . MET A 1 50 ? 5.677 -7.871 4.351 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 4 -ATOM 5599 H H . MET A 1 50 ? 9.582 -5.766 8.306 1.00 0.00 ? ? ? ? ? ? 47 MET A H 4 -ATOM 5600 H HA . MET A 1 50 ? 9.101 -7.676 6.139 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 4 -ATOM 5601 H HB2 . MET A 1 50 ? 7.457 -5.295 6.984 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 4 -ATOM 5602 H HB3 . MET A 1 50 ? 7.334 -5.985 5.377 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 4 -ATOM 5603 H HG2 . MET A 1 50 ? 6.840 -7.541 7.902 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 4 -ATOM 5604 H HG3 . MET A 1 50 ? 5.571 -6.698 7.023 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 4 -ATOM 5605 H HE1 . MET A 1 50 ? 6.402 -7.179 3.950 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 4 -ATOM 5606 H HE2 . MET A 1 50 ? 4.768 -7.334 4.580 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 4 -ATOM 5607 H HE3 . MET A 1 50 ? 5.461 -8.629 3.612 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 4 -ATOM 5608 N N . PRO A 1 51 ? 10.413 -6.203 4.550 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 4 -ATOM 5609 C CA . PRO A 1 51 ? 11.320 -5.416 3.706 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 4 -ATOM 5610 C C . PRO A 1 51 ? 10.716 -4.085 3.237 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 4 -ATOM 5611 O O . PRO A 1 51 ? 9.986 -4.028 2.239 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 4 -ATOM 5612 C CB . PRO A 1 51 ? 11.635 -6.336 2.514 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 4 -ATOM 5613 C CG . PRO A 1 51 ? 10.576 -7.388 2.540 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 4 -ATOM 5614 C CD . PRO A 1 51 ? 10.164 -7.541 3.977 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 4 -ATOM 5615 H HA . PRO A 1 51 ? 12.232 -5.196 4.242 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 4 -ATOM 5616 H HB2 . PRO A 1 51 ? 11.607 -5.764 1.599 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 4 -ATOM 5617 H HB3 . PRO A 1 51 ? 12.618 -6.767 2.641 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 4 -ATOM 5618 H HG2 . PRO A 1 51 ? 9.732 -7.075 1.944 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 4 -ATOM 5619 H HG3 . PRO A 1 51 ? 10.974 -8.318 2.164 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 4 -ATOM 5620 H HD2 . PRO A 1 51 ? 9.118 -7.803 4.038 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 4 -ATOM 5621 H HD3 . PRO A 1 51 ? 10.770 -8.290 4.466 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 4 -ATOM 5622 N N . ASP A 1 52 ? 10.951 -3.057 4.054 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 4 -ATOM 5623 C CA . ASP A 1 52 ? 10.539 -1.665 3.828 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 4 -ATOM 5624 C C . ASP A 1 52 ? 9.082 -1.544 3.456 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 4 -ATOM 5625 O O . ASP A 1 52 ? 8.702 -0.784 2.562 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 4 -ATOM 5626 C CB . ASP A 1 52 ? 11.455 -0.941 2.834 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 4 -ATOM 5627 C CG . ASP A 1 52 ? 12.875 -0.810 3.350 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 4 -ATOM 5628 O OD1 . ASP A 1 52 ? 13.076 -0.602 4.582 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 4 -ATOM 5629 O OD2 . ASP A 1 52 ? 13.823 -0.893 2.541 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 4 -ATOM 5630 H H . ASP A 1 52 ? 11.423 -3.272 4.888 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 4 -ATOM 5631 H HA . ASP A 1 52 ? 10.636 -1.177 4.785 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 4 -ATOM 5632 H HB2 . ASP A 1 52 ? 11.480 -1.497 1.908 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 4 -ATOM 5633 H HB3 . ASP A 1 52 ? 11.063 0.047 2.646 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 4 -ATOM 5634 N N . CYS A 1 53 ? 8.263 -2.265 4.177 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 4 -ATOM 5635 C CA . CYS A 1 53 ? 6.849 -2.258 3.945 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 4 -ATOM 5636 C C . CYS A 1 53 ? 6.169 -1.351 4.958 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 4 -ATOM 5637 O O . CYS A 1 53 ? 6.593 -1.269 6.108 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 4 -ATOM 5638 C CB . CYS A 1 53 ? 6.304 -3.675 4.032 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 4 -ATOM 5639 S SG . CYS A 1 53 ? 7.117 -4.851 2.919 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 4 -ATOM 5640 H H . CYS A 1 53 ? 8.635 -2.819 4.896 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 4 -ATOM 5641 H HA . CYS A 1 53 ? 6.664 -1.868 2.959 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 4 -ATOM 5642 H HB2 . CYS A 1 53 ? 6.435 -4.036 5.041 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 4 -ATOM 5643 H HB3 . CYS A 1 53 ? 5.251 -3.666 3.790 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 4 -ATOM 5644 H HG . CYS A 1 53 ? 8.240 -4.288 2.482 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 4 -ATOM 5645 N N . TYR A 1 54 ? 5.162 -0.654 4.519 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 4 -ATOM 5646 C CA . TYR A 1 54 ? 4.433 0.285 5.335 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 4 -ATOM 5647 C C . TYR A 1 54 ? 2.948 -0.011 5.203 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 4 -ATOM 5648 O O . TYR A 1 54 ? 2.508 -0.556 4.180 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 4 -ATOM 5649 C CB . TYR A 1 54 ? 4.708 1.741 4.885 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 4 -ATOM 5650 C CG . TYR A 1 54 ? 6.163 2.204 4.963 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 4 -ATOM 5651 C CD1 . TYR A 1 54 ? 7.120 1.729 4.079 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 4 -ATOM 5652 C CD2 . TYR A 1 54 ? 6.570 3.116 5.918 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 4 -ATOM 5653 C CE1 . TYR A 1 54 ? 8.434 2.143 4.146 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 4 -ATOM 5654 C CE2 . TYR A 1 54 ? 7.887 3.538 5.992 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 4 -ATOM 5655 C CZ . TYR A 1 54 ? 8.812 3.045 5.100 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 4 -ATOM 5656 O OH . TYR A 1 54 ? 10.129 3.451 5.174 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 4 -ATOM 5657 H H . TYR A 1 54 ? 4.869 -0.775 3.588 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 4 -ATOM 5658 H HA . TYR A 1 54 ? 4.735 0.166 6.364 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 4 -ATOM 5659 H HB2 . TYR A 1 54 ? 4.392 1.850 3.859 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 4 -ATOM 5660 H HB3 . TYR A 1 54 ? 4.115 2.406 5.496 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 4 -ATOM 5661 H HD1 . TYR A 1 54 ? 6.822 1.016 3.324 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 4 -ATOM 5662 H HD2 . TYR A 1 54 ? 5.845 3.501 6.619 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 4 -ATOM 5663 H HE1 . TYR A 1 54 ? 9.160 1.756 3.447 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 4 -ATOM 5664 H HE2 . TYR A 1 54 ? 8.184 4.251 6.746 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 4 -ATOM 5665 H HH . TYR A 1 54 ? 10.460 3.620 4.285 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 4 -ATOM 5666 N N . LYS A 1 55 ? 2.201 0.325 6.221 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 4 -ATOM 5667 C CA . LYS A 1 55 ? 0.773 0.115 6.248 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 4 -ATOM 5668 C C . LYS A 1 55 ? 0.069 1.431 6.562 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 4 -ATOM 5669 O O . LYS A 1 55 ? 0.532 2.210 7.402 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 4 -ATOM 5670 C CB . LYS A 1 55 ? 0.412 -0.938 7.332 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 4 -ATOM 5671 C CG . LYS A 1 55 ? 0.843 -0.525 8.743 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 4 -ATOM 5672 C CD . LYS A 1 55 ? 0.552 -1.580 9.806 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 4 -ATOM 5673 C CE . LYS A 1 55 ? 1.232 -1.210 11.118 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 4 -ATOM 5674 N NZ . LYS A 1 55 ? 1.035 -2.228 12.172 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 4 -ATOM 5675 H H . LYS A 1 55 ? 2.625 0.745 7.002 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 4 -ATOM 5676 H HA . LYS A 1 55 ? 0.454 -0.252 5.284 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 4 -ATOM 5677 H HB2 . LYS A 1 55 ? -0.657 -1.092 7.329 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 4 -ATOM 5678 H HB3 . LYS A 1 55 ? 0.900 -1.870 7.090 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 4 -ATOM 5679 H HG2 . LYS A 1 55 ? 1.897 -0.295 8.747 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 4 -ATOM 5680 H HG3 . LYS A 1 55 ? 0.277 0.367 8.973 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 4 -ATOM 5681 H HD2 . LYS A 1 55 ? -0.514 -1.631 9.971 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 4 -ATOM 5682 H HD3 . LYS A 1 55 ? 0.905 -2.548 9.485 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 4 -ATOM 5683 H HE2 . LYS A 1 55 ? 2.292 -1.098 10.941 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 4 -ATOM 5684 H HE3 . LYS A 1 55 ? 0.827 -0.267 11.451 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 4 -ATOM 5685 H HZ1 . LYS A 1 55 ? 0.030 -2.345 12.403 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 4 -ATOM 5686 H HZ2 . LYS A 1 55 ? 1.512 -1.945 13.051 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 4 -ATOM 5687 H HZ3 . LYS A 1 55 ? 1.414 -3.155 11.891 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 4 -ATOM 5688 N N . ILE A 1 56 ? -1.016 1.679 5.907 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 4 -ATOM 5689 C CA . ILE A 1 56 ? -1.842 2.838 6.180 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 4 -ATOM 5690 C C . ILE A 1 56 ? -3.246 2.333 6.452 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 4 -ATOM 5691 O O . ILE A 1 56 ? -3.665 1.329 5.858 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 4 -ATOM 5692 C CB . ILE A 1 56 ? -1.865 3.861 4.981 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 4 -ATOM 5693 C CG1 . ILE A 1 56 ? -0.448 4.389 4.681 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 4 -ATOM 5694 C CG2 . ILE A 1 56 ? -2.810 5.038 5.271 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 4 -ATOM 5695 C CD1 . ILE A 1 56 ? -0.375 5.355 3.514 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 4 -ATOM 5696 H H . ILE A 1 56 ? -1.293 1.053 5.198 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 4 -ATOM 5697 H HA . ILE A 1 56 ? -1.462 3.322 7.069 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 4 -ATOM 5698 H HB . ILE A 1 56 ? -2.237 3.342 4.109 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 4 -ATOM 5699 H HG12 . ILE A 1 56 ? -0.094 4.932 5.544 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 4 -ATOM 5700 H HG13 . ILE A 1 56 ? 0.213 3.560 4.475 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 4 -ATOM 5701 H HG21 . ILE A 1 56 ? -2.809 5.714 4.429 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 4 -ATOM 5702 H HG22 . ILE A 1 56 ? -2.477 5.570 6.150 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 4 -ATOM 5703 H HG23 . ILE A 1 56 ? -3.814 4.676 5.437 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 4 -ATOM 5704 H HD11 . ILE A 1 56 ? 0.654 5.633 3.338 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 4 -ATOM 5705 H HD12 . ILE A 1 56 ? -0.941 6.240 3.759 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 4 -ATOM 5706 H HD13 . ILE A 1 56 ? -0.786 4.893 2.629 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 4 -ATOM 5707 N N . LYS A 1 57 ? -3.952 2.975 7.349 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 4 -ATOM 5708 C CA . LYS A 1 57 ? -5.298 2.574 7.645 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 4 -ATOM 5709 C C . LYS A 1 57 ? -6.243 3.743 7.432 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 4 -ATOM 5710 O O . LYS A 1 57 ? -5.903 4.899 7.733 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 4 -ATOM 5711 C CB . LYS A 1 57 ? -5.490 1.937 9.060 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 4 -ATOM 5712 C CG . LYS A 1 57 ? -5.288 2.863 10.254 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 4 -ATOM 5713 C CD . LYS A 1 57 ? -3.838 3.234 10.461 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 4 -ATOM 5714 C CE . LYS A 1 57 ? -3.722 4.307 11.492 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 4 -ATOM 5715 N NZ . LYS A 1 57 ? -2.328 4.755 11.684 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 4 -ATOM 5716 H H . LYS A 1 57 ? -3.587 3.777 7.777 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 4 -ATOM 5717 H HA . LYS A 1 57 ? -5.496 1.825 6.899 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 4 -ATOM 5718 H HB2 . LYS A 1 57 ? -6.498 1.553 9.122 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 4 -ATOM 5719 H HB3 . LYS A 1 57 ? -4.806 1.108 9.153 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 4 -ATOM 5720 H HG2 . LYS A 1 57 ? -5.854 3.766 10.085 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 4 -ATOM 5721 H HG3 . LYS A 1 57 ? -5.660 2.374 11.142 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 4 -ATOM 5722 H HD2 . LYS A 1 57 ? -3.300 2.363 10.803 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 4 -ATOM 5723 H HD3 . LYS A 1 57 ? -3.406 3.584 9.538 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 4 -ATOM 5724 H HE2 . LYS A 1 57 ? -4.320 5.124 11.119 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 4 -ATOM 5725 H HE3 . LYS A 1 57 ? -4.135 3.941 12.418 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 4 -ATOM 5726 H HZ1 . LYS A 1 57 ? -2.280 5.502 12.405 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 4 -ATOM 5727 H HZ2 . LYS A 1 57 ? -1.932 5.138 10.804 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 4 -ATOM 5728 H HZ3 . LYS A 1 57 ? -1.724 3.968 11.993 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 4 -ATOM 5729 N N . LEU A 1 58 ? -7.383 3.450 6.885 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 4 -ATOM 5730 C CA . LEU A 1 58 ? -8.404 4.425 6.603 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 4 -ATOM 5731 C C . LEU A 1 58 ? -9.197 4.632 7.912 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 4 -ATOM 5732 O O . LEU A 1 58 ? -9.481 3.662 8.625 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 4 -ATOM 5733 C CB . LEU A 1 58 ? -9.279 3.844 5.468 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 4 -ATOM 5734 C CG . LEU A 1 58 ? -10.052 4.796 4.538 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 4 -ATOM 5735 C CD1 . LEU A 1 58 ? -10.717 3.989 3.440 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 4 -ATOM 5736 C CD2 . LEU A 1 58 ? -11.101 5.602 5.269 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 4 -ATOM 5737 H H . LEU A 1 58 ? -7.563 2.510 6.652 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 4 -ATOM 5738 H HA . LEU A 1 58 ? -7.944 5.349 6.288 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 4 -ATOM 5739 H HB2 . LEU A 1 58 ? -8.639 3.242 4.840 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 4 -ATOM 5740 H HB3 . LEU A 1 58 ? -9.993 3.178 5.930 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 4 -ATOM 5741 H HG . LEU A 1 58 ? -9.349 5.470 4.070 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 4 -ATOM 5742 H HD11 . LEU A 1 58 ? -9.965 3.479 2.859 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 4 -ATOM 5743 H HD12 . LEU A 1 58 ? -11.288 4.645 2.800 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 4 -ATOM 5744 H HD13 . LEU A 1 58 ? -11.376 3.260 3.888 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 4 -ATOM 5745 H HD21 . LEU A 1 58 ? -11.829 4.936 5.706 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 4 -ATOM 5746 H HD22 . LEU A 1 58 ? -11.586 6.258 4.560 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 4 -ATOM 5747 H HD23 . LEU A 1 58 ? -10.625 6.186 6.042 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 4 -ATOM 5748 N N . ARG A 1 59 ? -9.515 5.882 8.241 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 4 -ATOM 5749 C CA . ARG A 1 59 ? -10.146 6.201 9.524 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 4 -ATOM 5750 C C . ARG A 1 59 ? -11.623 5.809 9.607 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 4 -ATOM 5751 O O . ARG A 1 59 ? -12.014 5.062 10.514 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 4 -ATOM 5752 C CB . ARG A 1 59 ? -9.977 7.684 9.885 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 4 -ATOM 5753 C CG . ARG A 1 59 ? -8.537 8.144 10.099 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 4 -ATOM 5754 C CD . ARG A 1 59 ? -7.821 7.328 11.165 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 4 -ATOM 5755 N NE . ARG A 1 59 ? -8.547 7.297 12.446 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 4 -ATOM 5756 C CZ . ARG A 1 59 ? -8.010 6.911 13.612 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 4 -ATOM 5757 N NH1 . ARG A 1 59 ? -6.698 6.700 13.709 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 4 -ATOM 5758 N NH2 . ARG A 1 59 ? -8.778 6.770 14.689 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 4 -ATOM 5759 H H . ARG A 1 59 ? -9.322 6.608 7.610 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 4 -ATOM 5760 H HA . ARG A 1 59 ? -9.625 5.622 10.272 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 4 -ATOM 5761 H HB2 . ARG A 1 59 ? -10.398 8.280 9.090 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 4 -ATOM 5762 H HB3 . ARG A 1 59 ? -10.535 7.886 10.785 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 4 -ATOM 5763 H HG2 . ARG A 1 59 ? -7.994 8.039 9.172 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 4 -ATOM 5764 H HG3 . ARG A 1 59 ? -8.546 9.182 10.396 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 4 -ATOM 5765 H HD2 . ARG A 1 59 ? -7.698 6.317 10.808 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 4 -ATOM 5766 H HD3 . ARG A 1 59 ? -6.846 7.760 11.328 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 4 -ATOM 5767 H HE . ARG A 1 59 ? -9.502 7.532 12.395 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 4 -ATOM 5768 H HH11 . ARG A 1 59 ? -6.071 6.821 12.937 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 4 -ATOM 5769 H HH12 . ARG A 1 59 ? -6.274 6.413 14.573 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 4 -ATOM 5770 H HH21 . ARG A 1 59 ? -9.769 6.940 14.685 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 4 -ATOM 5771 H HH22 . ARG A 1 59 ? -8.384 6.464 15.561 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 4 -ATOM 5772 N N . SER A 1 60 ? -12.425 6.331 8.690 1.00 0.00 ? ? ? ? ? ? 57 SER A N 4 -ATOM 5773 C CA . SER A 1 60 ? -13.865 6.116 8.678 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 4 -ATOM 5774 C C . SER A 1 60 ? -14.189 4.628 8.518 1.00 0.00 ? ? ? ? ? ? 57 SER A C 4 -ATOM 5775 O O . SER A 1 60 ? -14.773 4.004 9.407 1.00 0.00 ? ? ? ? ? ? 57 SER A O 4 -ATOM 5776 C CB . SER A 1 60 ? -14.496 6.949 7.543 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 4 -ATOM 5777 O OG . SER A 1 60 ? -15.911 6.876 7.550 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 4 -ATOM 5778 H H . SER A 1 60 ? -12.031 6.894 7.991 1.00 0.00 ? ? ? ? ? ? 57 SER A H 4 -ATOM 5779 H HA . SER A 1 60 ? -14.262 6.460 9.623 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 4 -ATOM 5780 H HB2 . SER A 1 60 ? -14.209 7.982 7.659 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 4 -ATOM 5781 H HB3 . SER A 1 60 ? -14.132 6.584 6.594 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 4 -ATOM 5782 H HG . SER A 1 60 ? -16.196 7.317 8.359 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 4 -ATOM 5783 N N . SER A 1 61 ? -13.816 4.083 7.405 1.00 0.00 ? ? ? ? ? ? 58 SER A N 4 -ATOM 5784 C CA . SER A 1 61 ? -13.986 2.696 7.149 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 4 -ATOM 5785 C C . SER A 1 61 ? -12.638 2.023 7.301 1.00 0.00 ? ? ? ? ? ? 58 SER A C 4 -ATOM 5786 O O . SER A 1 61 ? -11.685 2.420 6.635 1.00 0.00 ? ? ? ? ? ? 58 SER A O 4 -ATOM 5787 C CB . SER A 1 61 ? -14.571 2.533 5.751 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 4 -ATOM 5788 O OG . SER A 1 61 ? -13.913 3.407 4.828 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 4 -ATOM 5789 H H . SER A 1 61 ? -13.395 4.619 6.704 1.00 0.00 ? ? ? ? ? ? 58 SER A H 4 -ATOM 5790 H HA . SER A 1 61 ? -14.675 2.295 7.877 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 4 -ATOM 5791 H HB2 . SER A 1 61 ? -14.442 1.513 5.421 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 4 -ATOM 5792 H HB3 . SER A 1 61 ? -15.621 2.780 5.772 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 4 -ATOM 5793 H HG . SER A 1 61 ? -12.982 3.155 4.824 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 4 -ATOM 5794 N N . GLY A 1 62 ? -12.563 1.042 8.176 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 4 -ATOM 5795 C CA . GLY A 1 62 ? -11.318 0.391 8.518 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 4 -ATOM 5796 C C . GLY A 1 62 ? -10.756 -0.498 7.433 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 4 -ATOM 5797 O O . GLY A 1 62 ? -10.837 -1.726 7.513 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 4 -ATOM 5798 H H . GLY A 1 62 ? -13.391 0.725 8.596 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 4 -ATOM 5799 H HA2 . GLY A 1 62 ? -10.585 1.152 8.743 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 4 -ATOM 5800 H HA3 . GLY A 1 62 ? -11.473 -0.203 9.407 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 4 -ATOM 5801 N N . TYR A 1 63 ? -10.234 0.121 6.419 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 4 -ATOM 5802 C CA . TYR A 1 63 ? -9.534 -0.549 5.367 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 4 -ATOM 5803 C C . TYR A 1 63 ? -8.079 -0.227 5.500 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 4 -ATOM 5804 O O . TYR A 1 63 ? -7.716 0.879 5.914 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 4 -ATOM 5805 C CB . TYR A 1 63 ? -10.052 -0.147 3.990 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 4 -ATOM 5806 C CG . TYR A 1 63 ? -11.407 -0.715 3.665 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 4 -ATOM 5807 C CD1 . TYR A 1 63 ? -12.569 -0.033 3.986 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 4 -ATOM 5808 C CD2 . TYR A 1 63 ? -11.521 -1.941 3.030 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 4 -ATOM 5809 C CE1 . TYR A 1 63 ? -13.805 -0.557 3.680 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 4 -ATOM 5810 C CE2 . TYR A 1 63 ? -12.753 -2.472 2.723 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 4 -ATOM 5811 C CZ . TYR A 1 63 ? -13.889 -1.778 3.052 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 4 -ATOM 5812 O OH . TYR A 1 63 ? -15.124 -2.306 2.747 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 4 -ATOM 5813 H H . TYR A 1 63 ? -10.328 1.098 6.392 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 4 -ATOM 5814 H HA . TYR A 1 63 ? -9.679 -1.611 5.512 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 4 -ATOM 5815 H HB2 . TYR A 1 63 ? -10.121 0.930 3.944 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 4 -ATOM 5816 H HB3 . TYR A 1 63 ? -9.355 -0.487 3.238 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 4 -ATOM 5817 H HD1 . TYR A 1 63 ? -12.495 0.925 4.480 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 4 -ATOM 5818 H HD2 . TYR A 1 63 ? -10.624 -2.484 2.776 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 4 -ATOM 5819 H HE1 . TYR A 1 63 ? -14.704 -0.016 3.935 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 4 -ATOM 5820 H HE2 . TYR A 1 63 ? -12.819 -3.430 2.229 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 4 -ATOM 5821 H HH . TYR A 1 63 ? -15.582 -1.644 2.212 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 4 -ATOM 5822 N N . ARG A 1 64 ? -7.255 -1.166 5.192 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 4 -ATOM 5823 C CA . ARG A 1 64 ? -5.850 -1.025 5.368 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 4 -ATOM 5824 C C . ARG A 1 64 ? -5.150 -1.307 4.062 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 4 -ATOM 5825 O O . ARG A 1 64 ? -5.650 -2.074 3.227 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 4 -ATOM 5826 C CB . ARG A 1 64 ? -5.390 -2.004 6.437 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 4 -ATOM 5827 C CG . ARG A 1 64 ? -6.129 -1.839 7.758 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 4 -ATOM 5828 C CD . ARG A 1 64 ? -5.768 -2.922 8.727 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 4 -ATOM 5829 N NE . ARG A 1 64 ? -4.354 -2.886 9.075 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 4 -ATOM 5830 C CZ . ARG A 1 64 ? -3.690 -3.848 9.715 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 4 -ATOM 5831 N NH1 . ARG A 1 64 ? -4.335 -4.903 10.230 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 4 -ATOM 5832 N NH2 . ARG A 1 64 ? -2.394 -3.724 9.874 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 4 -ATOM 5833 H H . ARG A 1 64 ? -7.581 -2.009 4.806 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 4 -ATOM 5834 H HA . ARG A 1 64 ? -5.630 -0.021 5.699 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 4 -ATOM 5835 H HB2 . ARG A 1 64 ? -5.555 -3.009 6.079 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 4 -ATOM 5836 H HB3 . ARG A 1 64 ? -4.334 -1.861 6.616 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 4 -ATOM 5837 H HG2 . ARG A 1 64 ? -5.870 -0.882 8.188 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 4 -ATOM 5838 H HG3 . ARG A 1 64 ? -7.193 -1.874 7.568 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 4 -ATOM 5839 H HD2 . ARG A 1 64 ? -6.376 -2.820 9.612 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 4 -ATOM 5840 H HD3 . ARG A 1 64 ? -5.987 -3.864 8.249 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 4 -ATOM 5841 H HE . ARG A 1 64 ? -3.886 -2.075 8.770 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 4 -ATOM 5842 H HH11 . ARG A 1 64 ? -5.328 -5.004 10.158 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 4 -ATOM 5843 H HH12 . ARG A 1 64 ? -3.856 -5.647 10.711 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 4 -ATOM 5844 H HH21 . ARG A 1 64 ? -1.907 -2.920 9.533 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 4 -ATOM 5845 H HH22 . ARG A 1 64 ? -1.835 -4.433 10.331 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 4 -ATOM 5846 N N . LEU A 1 65 ? -4.033 -0.692 3.873 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 4 -ATOM 5847 C CA . LEU A 1 65 ? -3.272 -0.870 2.678 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 4 -ATOM 5848 C C . LEU A 1 65 ? -1.808 -1.062 3.062 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 4 -ATOM 5849 O O . LEU A 1 65 ? -1.287 -0.332 3.907 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 4 -ATOM 5850 C CB . LEU A 1 65 ? -3.514 0.349 1.749 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 4 -ATOM 5851 C CG . LEU A 1 65 ? -2.929 0.316 0.325 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 4 -ATOM 5852 C CD1 . LEU A 1 65 ? -3.629 1.344 -0.538 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 4 -ATOM 5853 C CD2 . LEU A 1 65 ? -1.453 0.630 0.341 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 4 -ATOM 5854 H H . LEU A 1 65 ? -3.696 -0.078 4.564 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 4 -ATOM 5855 H HA . LEU A 1 65 ? -3.624 -1.767 2.189 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 4 -ATOM 5856 H HB2 . LEU A 1 65 ? -4.583 0.475 1.661 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 4 -ATOM 5857 H HB3 . LEU A 1 65 ? -3.123 1.221 2.252 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 4 -ATOM 5858 H HG . LEU A 1 65 ? -3.072 -0.661 -0.112 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 4 -ATOM 5859 H HD11 . LEU A 1 65 ? -4.686 1.122 -0.578 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 4 -ATOM 5860 H HD12 . LEU A 1 65 ? -3.222 1.300 -1.537 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 4 -ATOM 5861 H HD13 . LEU A 1 65 ? -3.482 2.331 -0.124 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 4 -ATOM 5862 H HD21 . LEU A 1 65 ? -1.076 0.660 -0.669 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 4 -ATOM 5863 H HD22 . LEU A 1 65 ? -0.931 -0.134 0.899 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 4 -ATOM 5864 H HD23 . LEU A 1 65 ? -1.309 1.590 0.814 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 4 -ATOM 5865 N N . VAL A 1 66 ? -1.179 -2.062 2.473 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 4 -ATOM 5866 C CA . VAL A 1 66 ? 0.203 -2.405 2.752 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 4 -ATOM 5867 C C . VAL A 1 66 ? 1.019 -2.320 1.461 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 4 -ATOM 5868 O O . VAL A 1 66 ? 0.652 -2.929 0.427 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 4 -ATOM 5869 C CB . VAL A 1 66 ? 0.327 -3.843 3.351 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 4 -ATOM 5870 C CG1 . VAL A 1 66 ? 1.780 -4.191 3.654 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 4 -ATOM 5871 C CG2 . VAL A 1 66 ? -0.520 -3.987 4.611 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 4 -ATOM 5872 H H . VAL A 1 66 ? -1.655 -2.587 1.789 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 4 -ATOM 5873 H HA . VAL A 1 66 ? 0.589 -1.692 3.466 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 4 -ATOM 5874 H HB . VAL A 1 66 ? -0.034 -4.544 2.615 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 4 -ATOM 5875 H HG11 . VAL A 1 66 ? 2.177 -3.479 4.364 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 4 -ATOM 5876 H HG12 . VAL A 1 66 ? 2.359 -4.152 2.744 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 4 -ATOM 5877 H HG13 . VAL A 1 66 ? 1.834 -5.184 4.075 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 4 -ATOM 5878 H HG21 . VAL A 1 66 ? -0.184 -3.276 5.352 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 4 -ATOM 5879 H HG22 . VAL A 1 66 ? -0.421 -4.990 5.001 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 4 -ATOM 5880 H HG23 . VAL A 1 66 ? -1.554 -3.795 4.370 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 4 -ATOM 5881 N N . TYR A 1 67 ? 2.100 -1.590 1.510 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 4 -ATOM 5882 C CA . TYR A 1 67 ? 2.947 -1.393 0.358 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 4 -ATOM 5883 C C . TYR A 1 67 ? 4.404 -1.472 0.749 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 4 -ATOM 5884 O O . TYR A 1 67 ? 4.731 -1.304 1.910 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 4 -ATOM 5885 C CB . TYR A 1 67 ? 2.649 -0.035 -0.315 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 4 -ATOM 5886 C CG . TYR A 1 67 ? 2.792 1.205 0.566 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 4 -ATOM 5887 C CD1 . TYR A 1 67 ? 4.035 1.682 0.964 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 4 -ATOM 5888 C CD2 . TYR A 1 67 ? 1.678 1.905 0.969 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 4 -ATOM 5889 C CE1 . TYR A 1 67 ? 4.150 2.811 1.738 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 4 -ATOM 5890 C CE2 . TYR A 1 67 ? 1.783 3.035 1.740 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 4 -ATOM 5891 C CZ . TYR A 1 67 ? 3.024 3.486 2.123 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 4 -ATOM 5892 O OH . TYR A 1 67 ? 3.137 4.612 2.900 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 4 -ATOM 5893 H H . TYR A 1 67 ? 2.357 -1.175 2.366 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 4 -ATOM 5894 H HA . TYR A 1 67 ? 2.734 -2.179 -0.351 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 4 -ATOM 5895 H HB2 . TYR A 1 67 ? 3.315 0.095 -1.154 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 4 -ATOM 5896 H HB3 . TYR A 1 67 ? 1.633 -0.058 -0.680 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 4 -ATOM 5897 H HD1 . TYR A 1 67 ? 4.921 1.145 0.658 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 4 -ATOM 5898 H HD2 . TYR A 1 67 ? 0.704 1.549 0.668 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 4 -ATOM 5899 H HE1 . TYR A 1 67 ? 5.127 3.162 2.035 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 4 -ATOM 5900 H HE2 . TYR A 1 67 ? 0.887 3.561 2.030 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 4 -ATOM 5901 H HH . TYR A 1 67 ? 3.826 5.170 2.531 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 4 -ATOM 5902 N N . GLN A 1 68 ? 5.256 -1.740 -0.196 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 4 -ATOM 5903 C CA . GLN A 1 68 ? 6.676 -1.718 0.047 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 4 -ATOM 5904 C C . GLN A 1 68 ? 7.271 -0.526 -0.664 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 4 -ATOM 5905 O O . GLN A 1 68 ? 6.834 -0.163 -1.758 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 4 -ATOM 5906 C CB . GLN A 1 68 ? 7.379 -3.015 -0.383 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 4 -ATOM 5907 C CG . GLN A 1 68 ? 7.283 -3.338 -1.873 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 4 -ATOM 5908 C CD . GLN A 1 68 ? 8.138 -4.529 -2.289 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 4 -ATOM 5909 O OE1 . GLN A 1 68 ? 7.788 -5.271 -3.211 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 4 -ATOM 5910 N NE2 . GLN A 1 68 ? 9.288 -4.687 -1.677 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 4 -ATOM 5911 H H . GLN A 1 68 ? 4.930 -1.928 -1.105 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 4 -ATOM 5912 H HA . GLN A 1 68 ? 6.822 -1.561 1.105 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 4 -ATOM 5913 H HB2 . GLN A 1 68 ? 8.421 -2.930 -0.117 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 4 -ATOM 5914 H HB3 . GLN A 1 68 ? 6.951 -3.837 0.172 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 4 -ATOM 5915 H HG2 . GLN A 1 68 ? 6.252 -3.551 -2.116 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 4 -ATOM 5916 H HG3 . GLN A 1 68 ? 7.607 -2.470 -2.427 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 4 -ATOM 5917 H HE21 . GLN A 1 68 ? 9.554 -4.035 -0.989 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 4 -ATOM 5918 H HE22 . GLN A 1 68 ? 9.845 -5.448 -1.934 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 4 -ATOM 5919 N N . VAL A 1 69 ? 8.202 0.114 -0.049 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 4 -ATOM 5920 C CA . VAL A 1 69 ? 8.841 1.241 -0.658 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 4 -ATOM 5921 C C . VAL A 1 69 ? 10.159 0.817 -1.244 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 4 -ATOM 5922 O O . VAL A 1 69 ? 11.090 0.447 -0.518 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 4 -ATOM 5923 C CB . VAL A 1 69 ? 9.047 2.412 0.342 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 4 -ATOM 5924 C CG1 . VAL A 1 69 ? 9.820 3.560 -0.300 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 4 -ATOM 5925 C CG2 . VAL A 1 69 ? 7.707 2.913 0.840 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 4 -ATOM 5926 H H . VAL A 1 69 ? 8.491 -0.190 0.842 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 4 -ATOM 5927 H HA . VAL A 1 69 ? 8.206 1.581 -1.463 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 4 -ATOM 5928 H HB . VAL A 1 69 ? 9.609 2.047 1.190 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 4 -ATOM 5929 H HG11 . VAL A 1 69 ? 9.950 4.352 0.422 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 4 -ATOM 5930 H HG12 . VAL A 1 69 ? 9.277 3.930 -1.157 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 4 -ATOM 5931 H HG13 . VAL A 1 69 ? 10.787 3.197 -0.615 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 4 -ATOM 5932 H HG21 . VAL A 1 69 ? 7.868 3.706 1.554 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 4 -ATOM 5933 H HG22 . VAL A 1 69 ? 7.178 2.101 1.317 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 4 -ATOM 5934 H HG23 . VAL A 1 69 ? 7.124 3.285 0.012 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 4 -ATOM 5935 N N . ILE A 1 70 ? 10.241 0.838 -2.545 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 4 -ATOM 5936 C CA . ILE A 1 70 ? 11.462 0.516 -3.195 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 4 -ATOM 5937 C C . ILE A 1 70 ? 12.210 1.817 -3.350 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 4 -ATOM 5938 O O . ILE A 1 70 ? 11.988 2.584 -4.312 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 4 -ATOM 5939 C CB . ILE A 1 70 ? 11.223 -0.109 -4.592 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 4 -ATOM 5940 C CG1 . ILE A 1 70 ? 10.223 -1.273 -4.492 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 4 -ATOM 5941 C CG2 . ILE A 1 70 ? 12.548 -0.597 -5.182 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 4 -ATOM 5942 C CD1 . ILE A 1 70 ? 9.840 -1.866 -5.831 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 4 -ATOM 5943 H H . ILE A 1 70 ? 9.469 1.099 -3.096 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 4 -ATOM 5944 H HA . ILE A 1 70 ? 12.026 -0.165 -2.576 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 4 -ATOM 5945 H HB . ILE A 1 70 ? 10.815 0.651 -5.241 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 4 -ATOM 5946 H HG12 . ILE A 1 70 ? 10.652 -2.060 -3.890 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 4 -ATOM 5947 H HG13 . ILE A 1 70 ? 9.323 -0.916 -4.015 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 4 -ATOM 5948 H HG21 . ILE A 1 70 ? 13.225 0.238 -5.286 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 4 -ATOM 5949 H HG22 . ILE A 1 70 ? 12.369 -1.037 -6.151 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 4 -ATOM 5950 H HG23 . ILE A 1 70 ? 12.984 -1.337 -4.528 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 4 -ATOM 5951 H HD11 . ILE A 1 70 ? 9.147 -2.682 -5.682 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 4 -ATOM 5952 H HD12 . ILE A 1 70 ? 10.729 -2.225 -6.329 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 4 -ATOM 5953 H HD13 . ILE A 1 70 ? 9.376 -1.106 -6.442 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 4 -ATOM 5954 N N . ASP A 1 71 ? 13.076 2.089 -2.404 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 4 -ATOM 5955 C CA . ASP A 1 71 ? 13.799 3.333 -2.366 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 4 -ATOM 5956 C C . ASP A 1 71 ? 14.832 3.381 -3.465 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 4 -ATOM 5957 O O . ASP A 1 71 ? 15.182 4.454 -3.943 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 4 -ATOM 5958 C CB . ASP A 1 71 ? 14.440 3.551 -0.997 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 4 -ATOM 5959 C CG . ASP A 1 71 ? 15.609 2.638 -0.702 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 4 -ATOM 5960 O OD1 . ASP A 1 71 ? 15.388 1.455 -0.357 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 4 -ATOM 5961 O OD2 . ASP A 1 71 ? 16.760 3.097 -0.803 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 4 -ATOM 5962 H H . ASP A 1 71 ? 13.225 1.449 -1.673 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 4 -ATOM 5963 H HA . ASP A 1 71 ? 13.087 4.123 -2.543 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 4 -ATOM 5964 H HB2 . ASP A 1 71 ? 14.793 4.566 -0.949 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 4 -ATOM 5965 H HB3 . ASP A 1 71 ? 13.686 3.400 -0.239 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 4 -ATOM 5966 N N . GLU A 1 72 ? 15.261 2.202 -3.891 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 4 -ATOM 5967 C CA . GLU A 1 72 ? 16.244 2.032 -4.970 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 4 -ATOM 5968 C C . GLU A 1 72 ? 15.716 2.647 -6.264 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 4 -ATOM 5969 O O . GLU A 1 72 ? 16.436 3.320 -6.997 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 4 -ATOM 5970 C CB . GLU A 1 72 ? 16.408 0.545 -5.263 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 4 -ATOM 5971 C CG . GLU A 1 72 ? 16.648 -0.349 -4.071 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 4 -ATOM 5972 C CD . GLU A 1 72 ? 16.576 -1.797 -4.474 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 4 -ATOM 5973 O OE1 . GLU A 1 72 ? 15.474 -2.320 -4.627 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 4 -ATOM 5974 O OE2 . GLU A 1 72 ? 17.634 -2.427 -4.689 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 4 -ATOM 5975 H H . GLU A 1 72 ? 14.916 1.416 -3.418 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 4 -ATOM 5976 H HA . GLU A 1 72 ? 17.200 2.443 -4.689 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 4 -ATOM 5977 H HB2 . GLU A 1 72 ? 15.513 0.194 -5.753 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 4 -ATOM 5978 H HB3 . GLU A 1 72 ? 17.235 0.423 -5.947 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 4 -ATOM 5979 H HG2 . GLU A 1 72 ? 17.629 -0.143 -3.668 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 4 -ATOM 5980 H HG3 . GLU A 1 72 ? 15.895 -0.159 -3.321 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 4 -ATOM 5981 N N . LYS A 1 73 ? 14.437 2.426 -6.506 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 4 -ATOM 5982 C CA . LYS A 1 73 ? 13.803 2.819 -7.751 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 4 -ATOM 5983 C C . LYS A 1 73 ? 12.915 4.032 -7.581 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 4 -ATOM 5984 O O . LYS A 1 73 ? 12.348 4.530 -8.560 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 4 -ATOM 5985 C CB . LYS A 1 73 ? 13.006 1.645 -8.323 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 4 -ATOM 5986 C CG . LYS A 1 73 ? 13.865 0.477 -8.775 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 4 -ATOM 5987 C CD . LYS A 1 73 ? 13.014 -0.694 -9.237 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 4 -ATOM 5988 C CE . LYS A 1 73 ? 13.866 -1.823 -9.804 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 4 -ATOM 5989 N NZ . LYS A 1 73 ? 14.837 -2.353 -8.823 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 4 -ATOM 5990 H H . LYS A 1 73 ? 13.908 1.981 -5.811 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 4 -ATOM 5991 H HA . LYS A 1 73 ? 14.587 3.061 -8.451 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 4 -ATOM 5992 H HB2 . LYS A 1 73 ? 12.340 1.281 -7.557 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 4 -ATOM 5993 H HB3 . LYS A 1 73 ? 12.426 1.987 -9.168 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 4 -ATOM 5994 H HG2 . LYS A 1 73 ? 14.492 0.796 -9.594 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 4 -ATOM 5995 H HG3 . LYS A 1 73 ? 14.486 0.157 -7.951 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 4 -ATOM 5996 H HD2 . LYS A 1 73 ? 12.452 -1.074 -8.396 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 4 -ATOM 5997 H HD3 . LYS A 1 73 ? 12.331 -0.353 -10.002 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 4 -ATOM 5998 H HE2 . LYS A 1 73 ? 13.220 -2.628 -10.119 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 4 -ATOM 5999 H HE3 . LYS A 1 73 ? 14.406 -1.445 -10.660 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 4 -ATOM 6000 H HZ1 . LYS A 1 73 ? 14.370 -2.675 -7.952 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 4 -ATOM 6001 H HZ2 . LYS A 1 73 ? 15.573 -1.656 -8.591 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 4 -ATOM 6002 H HZ3 . LYS A 1 73 ? 15.335 -3.168 -9.233 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 4 -ATOM 6003 N N . VAL A 1 74 ? 12.794 4.499 -6.340 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 4 -ATOM 6004 C CA . VAL A 1 74 ? 11.997 5.689 -5.996 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 4 -ATOM 6005 C C . VAL A 1 74 ? 10.489 5.405 -6.283 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 4 -ATOM 6006 O O . VAL A 1 74 ? 9.701 6.285 -6.616 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 4 -ATOM 6007 C CB . VAL A 1 74 ? 12.527 6.977 -6.770 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 4 -ATOM 6008 C CG1 . VAL A 1 74 ? 11.845 8.264 -6.306 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 4 -ATOM 6009 C CG2 . VAL A 1 74 ? 14.043 7.117 -6.621 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 4 -ATOM 6010 H H . VAL A 1 74 ? 13.256 4.020 -5.620 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 4 -ATOM 6011 H HA . VAL A 1 74 ? 12.106 5.838 -4.931 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 4 -ATOM 6012 H HB . VAL A 1 74 ? 12.305 6.844 -7.820 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 4 -ATOM 6013 H HG11 . VAL A 1 74 ? 12.257 9.105 -6.842 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 4 -ATOM 6014 H HG12 . VAL A 1 74 ? 12.003 8.392 -5.245 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 4 -ATOM 6015 H HG13 . VAL A 1 74 ? 10.787 8.189 -6.507 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 4 -ATOM 6016 H HG21 . VAL A 1 74 ? 14.380 7.990 -7.159 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 4 -ATOM 6017 H HG22 . VAL A 1 74 ? 14.529 6.239 -7.018 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 4 -ATOM 6018 H HG23 . VAL A 1 74 ? 14.292 7.221 -5.576 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 4 -ATOM 6019 N N . VAL A 1 75 ? 10.085 4.174 -6.065 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 4 -ATOM 6020 C CA . VAL A 1 75 ? 8.716 3.790 -6.332 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 4 -ATOM 6021 C C . VAL A 1 75 ? 8.136 3.000 -5.160 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 4 -ATOM 6022 O O . VAL A 1 75 ? 8.819 2.194 -4.533 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 4 -ATOM 6023 C CB . VAL A 1 75 ? 8.571 3.005 -7.690 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 4 -ATOM 6024 C CG1 . VAL A 1 75 ? 9.387 1.731 -7.697 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 4 -ATOM 6025 C CG2 . VAL A 1 75 ? 7.109 2.701 -8.022 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 4 -ATOM 6026 H H . VAL A 1 75 ? 10.695 3.508 -5.679 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 4 -ATOM 6027 H HA . VAL A 1 75 ? 8.154 4.709 -6.407 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 4 -ATOM 6028 H HB . VAL A 1 75 ? 8.967 3.641 -8.469 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 4 -ATOM 6029 H HG11 . VAL A 1 75 ? 10.426 1.979 -7.539 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 4 -ATOM 6030 H HG12 . VAL A 1 75 ? 9.268 1.242 -8.652 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 4 -ATOM 6031 H HG13 . VAL A 1 75 ? 9.042 1.081 -6.907 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 4 -ATOM 6032 H HG21 . VAL A 1 75 ? 6.549 3.622 -8.092 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 4 -ATOM 6033 H HG22 . VAL A 1 75 ? 6.690 2.083 -7.242 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 4 -ATOM 6034 H HG23 . VAL A 1 75 ? 7.058 2.174 -8.964 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 4 -ATOM 6035 N N . VAL A 1 76 ? 6.918 3.293 -4.851 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 4 -ATOM 6036 C CA . VAL A 1 76 ? 6.179 2.652 -3.817 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 4 -ATOM 6037 C C . VAL A 1 76 ? 5.276 1.605 -4.464 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 4 -ATOM 6038 O O . VAL A 1 76 ? 4.475 1.924 -5.341 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 4 -ATOM 6039 C CB . VAL A 1 76 ? 5.342 3.699 -3.048 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 4 -ATOM 6040 C CG1 . VAL A 1 76 ? 4.489 3.053 -1.994 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 4 -ATOM 6041 C CG2 . VAL A 1 76 ? 6.249 4.750 -2.420 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 4 -ATOM 6042 H H . VAL A 1 76 ? 6.449 3.989 -5.363 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 4 -ATOM 6043 H HA . VAL A 1 76 ? 6.871 2.175 -3.139 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 4 -ATOM 6044 H HB . VAL A 1 76 ? 4.699 4.200 -3.757 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 4 -ATOM 6045 H HG11 . VAL A 1 76 ? 3.919 3.810 -1.477 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 4 -ATOM 6046 H HG12 . VAL A 1 76 ? 5.120 2.533 -1.288 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 4 -ATOM 6047 H HG13 . VAL A 1 76 ? 3.813 2.349 -2.456 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 4 -ATOM 6048 H HG21 . VAL A 1 76 ? 5.655 5.448 -1.849 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 4 -ATOM 6049 H HG22 . VAL A 1 76 ? 6.769 5.280 -3.205 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 4 -ATOM 6050 H HG23 . VAL A 1 76 ? 6.971 4.271 -1.777 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 4 -ATOM 6051 N N . PHE A 1 77 ? 5.422 0.389 -4.044 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 4 -ATOM 6052 C CA . PHE A 1 77 ? 4.743 -0.732 -4.640 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 4 -ATOM 6053 C C . PHE A 1 77 ? 3.679 -1.282 -3.682 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 4 -ATOM 6054 O O . PHE A 1 77 ? 4.006 -1.843 -2.639 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 4 -ATOM 6055 C CB . PHE A 1 77 ? 5.808 -1.793 -4.947 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 4 -ATOM 6056 C CG . PHE A 1 77 ? 5.340 -3.006 -5.678 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 4 -ATOM 6057 C CD1 . PHE A 1 77 ? 5.226 -2.986 -7.047 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 4 -ATOM 6058 C CD2 . PHE A 1 77 ? 5.044 -4.176 -5.000 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 4 -ATOM 6059 C CE1 . PHE A 1 77 ? 4.824 -4.101 -7.733 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 4 -ATOM 6060 C CE2 . PHE A 1 77 ? 4.643 -5.300 -5.683 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 4 -ATOM 6061 C CZ . PHE A 1 77 ? 4.533 -5.261 -7.054 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 4 -ATOM 6062 H H . PHE A 1 77 ? 6.007 0.215 -3.273 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 4 -ATOM 6063 H HA . PHE A 1 77 ? 4.287 -0.423 -5.568 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 4 -ATOM 6064 H HB2 . PHE A 1 77 ? 6.585 -1.342 -5.546 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 4 -ATOM 6065 H HB3 . PHE A 1 77 ? 6.240 -2.114 -4.011 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 4 -ATOM 6066 H HD1 . PHE A 1 77 ? 5.452 -2.077 -7.582 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 4 -ATOM 6067 H HD2 . PHE A 1 77 ? 5.130 -4.201 -3.924 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 4 -ATOM 6068 H HE1 . PHE A 1 77 ? 4.743 -4.060 -8.808 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 4 -ATOM 6069 H HE2 . PHE A 1 77 ? 4.415 -6.210 -5.146 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 4 -ATOM 6070 H HZ . PHE A 1 77 ? 4.220 -6.139 -7.599 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 4 -ATOM 6071 N N . VAL A 1 78 ? 2.422 -1.098 -4.029 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 4 -ATOM 6072 C CA . VAL A 1 78 ? 1.309 -1.588 -3.223 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 4 -ATOM 6073 C C . VAL A 1 78 ? 1.127 -3.076 -3.453 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 4 -ATOM 6074 O O . VAL A 1 78 ? 1.028 -3.528 -4.603 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 4 -ATOM 6075 C CB . VAL A 1 78 ? -0.012 -0.833 -3.541 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 4 -ATOM 6076 C CG1 . VAL A 1 78 ? -1.181 -1.373 -2.715 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 4 -ATOM 6077 C CG2 . VAL A 1 78 ? 0.160 0.659 -3.304 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 4 -ATOM 6078 H H . VAL A 1 78 ? 2.238 -0.621 -4.870 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 4 -ATOM 6079 H HA . VAL A 1 78 ? 1.562 -1.438 -2.185 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 4 -ATOM 6080 H HB . VAL A 1 78 ? -0.242 -0.985 -4.585 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 4 -ATOM 6081 H HG11 . VAL A 1 78 ? -1.330 -2.417 -2.950 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 4 -ATOM 6082 H HG12 . VAL A 1 78 ? -2.082 -0.822 -2.942 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 4 -ATOM 6083 H HG13 . VAL A 1 78 ? -0.954 -1.275 -1.664 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 4 -ATOM 6084 H HG21 . VAL A 1 78 ? -0.767 1.168 -3.524 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 4 -ATOM 6085 H HG22 . VAL A 1 78 ? 0.940 1.034 -3.950 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 4 -ATOM 6086 H HG23 . VAL A 1 78 ? 0.434 0.834 -2.275 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 4 -ATOM 6087 N N . ILE A 1 79 ? 1.090 -3.838 -2.375 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 4 -ATOM 6088 C CA . ILE A 1 79 ? 1.002 -5.278 -2.495 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 4 -ATOM 6089 C C . ILE A 1 79 ? -0.364 -5.784 -2.025 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 4 -ATOM 6090 O O . ILE A 1 79 ? -0.975 -6.639 -2.669 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 4 -ATOM 6091 C CB . ILE A 1 79 ? 2.084 -5.979 -1.640 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 4 -ATOM 6092 C CG1 . ILE A 1 79 ? 3.452 -5.313 -1.820 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 4 -ATOM 6093 C CG2 . ILE A 1 79 ? 2.174 -7.446 -2.046 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 4 -ATOM 6094 C CD1 . ILE A 1 79 ? 4.510 -5.833 -0.870 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 4 -ATOM 6095 H H . ILE A 1 79 ? 1.121 -3.422 -1.485 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 4 -ATOM 6096 H HA . ILE A 1 79 ? 1.155 -5.551 -3.529 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 4 -ATOM 6097 H HB . ILE A 1 79 ? 1.794 -5.927 -0.600 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 4 -ATOM 6098 H HG12 . ILE A 1 79 ? 3.796 -5.496 -2.827 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 4 -ATOM 6099 H HG13 . ILE A 1 79 ? 3.353 -4.248 -1.665 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 4 -ATOM 6100 H HG21 . ILE A 1 79 ? 1.255 -7.954 -1.791 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 4 -ATOM 6101 H HG22 . ILE A 1 79 ? 3.017 -7.905 -1.551 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 4 -ATOM 6102 H HG23 . ILE A 1 79 ? 2.327 -7.502 -3.114 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 4 -ATOM 6103 H HD11 . ILE A 1 79 ? 4.634 -6.895 -1.016 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 4 -ATOM 6104 H HD12 . ILE A 1 79 ? 4.204 -5.649 0.150 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 4 -ATOM 6105 H HD13 . ILE A 1 79 ? 5.449 -5.334 -1.057 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 4 -ATOM 6106 N N . SER A 1 80 ? -0.850 -5.245 -0.928 1.00 0.00 ? ? ? ? ? ? 77 SER A N 4 -ATOM 6107 C CA . SER A 1 80 ? -2.093 -5.706 -0.350 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 4 -ATOM 6108 C C . SER A 1 80 ? -2.973 -4.527 0.016 1.00 0.00 ? ? ? ? ? ? 77 SER A C 4 -ATOM 6109 O O . SER A 1 80 ? -2.478 -3.498 0.487 1.00 0.00 ? ? ? ? ? ? 77 SER A O 4 -ATOM 6110 C CB . SER A 1 80 ? -1.807 -6.563 0.890 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 4 -ATOM 6111 O OG . SER A 1 80 ? -0.994 -7.691 0.566 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 4 -ATOM 6112 H H . SER A 1 80 ? -0.387 -4.506 -0.479 1.00 0.00 ? ? ? ? ? ? 77 SER A H 4 -ATOM 6113 H HA . SER A 1 80 ? -2.600 -6.317 -1.083 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 4 -ATOM 6114 H HB2 . SER A 1 80 ? -1.286 -5.963 1.622 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 4 -ATOM 6115 H HB3 . SER A 1 80 ? -2.737 -6.913 1.310 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 4 -ATOM 6116 H HG . SER A 1 80 ? -0.520 -7.958 1.365 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 4 -ATOM 6117 N N . VAL A 1 81 ? -4.252 -4.662 -0.220 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 4 -ATOM 6118 C CA . VAL A 1 81 ? -5.204 -3.628 0.080 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 4 -ATOM 6119 C C . VAL A 1 81 ? -6.570 -4.250 0.425 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 4 -ATOM 6120 O O . VAL A 1 81 ? -7.003 -5.225 -0.212 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 4 -ATOM 6121 C CB . VAL A 1 81 ? -5.313 -2.592 -1.093 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 4 -ATOM 6122 C CG1 . VAL A 1 81 ? -5.763 -3.236 -2.391 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 4 -ATOM 6123 C CG2 . VAL A 1 81 ? -6.212 -1.429 -0.732 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 4 -ATOM 6124 H H . VAL A 1 81 ? -4.603 -5.502 -0.591 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 4 -ATOM 6125 H HA . VAL A 1 81 ? -4.843 -3.119 0.962 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 4 -ATOM 6126 H HB . VAL A 1 81 ? -4.318 -2.206 -1.268 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 4 -ATOM 6127 H HG11 . VAL A 1 81 ? -6.737 -3.681 -2.250 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 4 -ATOM 6128 H HG12 . VAL A 1 81 ? -5.058 -4.002 -2.675 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 4 -ATOM 6129 H HG13 . VAL A 1 81 ? -5.820 -2.488 -3.167 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 4 -ATOM 6130 H HG21 . VAL A 1 81 ? -5.818 -0.939 0.145 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 4 -ATOM 6131 H HG22 . VAL A 1 81 ? -7.211 -1.788 -0.536 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 4 -ATOM 6132 H HG23 . VAL A 1 81 ? -6.230 -0.729 -1.554 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 4 -ATOM 6133 N N . GLY A 1 82 ? -7.195 -3.749 1.460 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 4 -ATOM 6134 C CA . GLY A 1 82 ? -8.497 -4.225 1.840 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 4 -ATOM 6135 C C . GLY A 1 82 ? -8.594 -4.338 3.323 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 4 -ATOM 6136 O O . GLY A 1 82 ? -7.996 -3.544 4.038 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 4 -ATOM 6137 H H . GLY A 1 82 ? -6.762 -3.067 2.025 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 4 -ATOM 6138 H HA2 . GLY A 1 82 ? -9.247 -3.538 1.477 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 4 -ATOM 6139 H HA3 . GLY A 1 82 ? -8.658 -5.199 1.405 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 4 -ATOM 6140 N N . LYS A 1 83 ? -9.324 -5.290 3.803 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 4 -ATOM 6141 C CA . LYS A 1 83 ? -9.400 -5.496 5.222 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 4 -ATOM 6142 C C . LYS A 1 83 ? -8.402 -6.550 5.628 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 4 -ATOM 6143 O O . LYS A 1 83 ? -8.202 -7.542 4.907 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 4 -ATOM 6144 C CB . LYS A 1 83 ? -10.796 -5.922 5.670 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 4 -ATOM 6145 C CG . LYS A 1 83 ? -11.904 -4.924 5.375 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 4 -ATOM 6146 C CD . LYS A 1 83 ? -13.247 -5.418 5.906 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 4 -ATOM 6147 C CE . LYS A 1 83 ? -13.258 -5.490 7.432 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 4 -ATOM 6148 N NZ . LYS A 1 83 ? -14.504 -6.072 7.965 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 4 -ATOM 6149 H H . LYS A 1 83 ? -9.813 -5.881 3.191 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 4 -ATOM 6150 H HA . LYS A 1 83 ? -9.143 -4.564 5.704 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 4 -ATOM 6151 H HB2 . LYS A 1 83 ? -11.049 -6.854 5.189 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 4 -ATOM 6152 H HB3 . LYS A 1 83 ? -10.758 -6.081 6.737 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 4 -ATOM 6153 H HG2 . LYS A 1 83 ? -11.664 -3.981 5.844 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 4 -ATOM 6154 H HG3 . LYS A 1 83 ? -11.975 -4.786 4.306 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 4 -ATOM 6155 H HD2 . LYS A 1 83 ? -14.020 -4.741 5.578 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 4 -ATOM 6156 H HD3 . LYS A 1 83 ? -13.434 -6.403 5.504 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 4 -ATOM 6157 H HE2 . LYS A 1 83 ? -12.437 -6.104 7.770 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 4 -ATOM 6158 H HE3 . LYS A 1 83 ? -13.145 -4.490 7.822 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 4 -ATOM 6159 H HZ1 . LYS A 1 83 ? -15.339 -5.525 7.676 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 4 -ATOM 6160 H HZ2 . LYS A 1 83 ? -14.465 -6.087 9.004 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 4 -ATOM 6161 H HZ3 . LYS A 1 83 ? -14.614 -7.058 7.655 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 4 -ATOM 6162 N N . ALA A 1 84 ? -7.767 -6.332 6.742 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 4 -ATOM 6163 C CA . ALA A 1 84 ? -6.842 -7.281 7.285 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 4 -ATOM 6164 C C . ALA A 1 84 ? -7.453 -7.854 8.527 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 4 -ATOM 6165 O O . ALA A 1 84 ? -7.473 -7.195 9.581 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 4 -ATOM 6166 C CB . ALA A 1 84 ? -5.521 -6.618 7.607 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 4 -ATOM 6167 H H . ALA A 1 84 ? -7.936 -5.508 7.245 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 4 -ATOM 6168 H HA . ALA A 1 84 ? -6.683 -8.067 6.562 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 4 -ATOM 6169 H HB1 . ALA A 1 84 ? -4.826 -7.358 7.976 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 4 -ATOM 6170 H HB2 . ALA A 1 84 ? -5.676 -5.876 8.376 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 4 -ATOM 6171 H HB3 . ALA A 1 84 ? -5.118 -6.152 6.721 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 4 -ATOM 6172 N N . GLU A 1 85 ? -7.988 -9.024 8.429 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 4 -ATOM 6173 C CA . GLU A 1 85 ? -8.713 -9.581 9.539 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 4 -ATOM 6174 C C . GLU A 1 85 ? -8.005 -10.788 10.109 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 4 -ATOM 6175 O O . GLU A 1 85 ? -7.990 -10.995 11.315 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 4 -ATOM 6176 C CB . GLU A 1 85 ? -10.162 -9.878 9.141 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 4 -ATOM 6177 C CG . GLU A 1 85 ? -10.857 -8.650 8.557 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 4 -ATOM 6178 C CD . GLU A 1 85 ? -12.336 -8.814 8.355 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 4 -ATOM 6179 O OE1 . GLU A 1 85 ? -12.754 -9.331 7.315 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 4 -ATOM 6180 O OE2 . GLU A 1 85 ? -13.111 -8.373 9.231 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 4 -ATOM 6181 H H . GLU A 1 85 ? -7.868 -9.545 7.598 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 4 -ATOM 6182 H HA . GLU A 1 85 ? -8.722 -8.821 10.309 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 4 -ATOM 6183 H HB2 . GLU A 1 85 ? -10.168 -10.665 8.403 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 4 -ATOM 6184 H HB3 . GLU A 1 85 ? -10.714 -10.197 10.012 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 4 -ATOM 6185 H HG2 . GLU A 1 85 ? -10.691 -7.812 9.216 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 4 -ATOM 6186 H HG3 . GLU A 1 85 ? -10.400 -8.430 7.603 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 4 -ATOM 6187 N N . ALA A 1 86 ? -7.364 -11.541 9.256 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 4 -ATOM 6188 C CA . ALA A 1 86 ? -6.635 -12.717 9.676 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 4 -ATOM 6189 C C . ALA A 1 86 ? -5.130 -12.458 9.631 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 4 -ATOM 6190 O O . ALA A 1 86 ? -4.335 -13.386 9.785 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 4 -ATOM 6191 C CB . ALA A 1 86 ? -6.999 -13.898 8.785 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 4 -ATOM 6192 H H . ALA A 1 86 ? -7.380 -11.321 8.292 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 4 -ATOM 6193 H HA . ALA A 1 86 ? -6.929 -12.951 10.690 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 4 -ATOM 6194 H HB1 . ALA A 1 86 ? -6.486 -14.783 9.134 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 4 -ATOM 6195 H HB2 . ALA A 1 86 ? -6.699 -13.687 7.769 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 4 -ATOM 6196 H HB3 . ALA A 1 86 ? -8.065 -14.062 8.817 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 4 -ATOM 6197 N N . SER A 1 87 ? -4.753 -11.180 9.405 1.00 0.00 ? ? ? ? ? ? 84 SER A N 4 -ATOM 6198 C CA . SER A 1 87 ? -3.338 -10.748 9.291 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 4 -ATOM 6199 C C . SER A 1 87 ? -2.706 -11.359 8.031 1.00 0.00 ? ? ? ? ? ? 84 SER A C 4 -ATOM 6200 O O . SER A 1 87 ? -1.488 -11.451 7.869 1.00 0.00 ? ? ? ? ? ? 84 SER A O 4 -ATOM 6201 C CB . SER A 1 87 ? -2.563 -11.102 10.566 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 4 -ATOM 6202 O OG . SER A 1 87 ? -3.174 -10.481 11.708 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 4 -ATOM 6203 H H . SER A 1 87 ? -5.458 -10.508 9.300 1.00 0.00 ? ? ? ? ? ? 84 SER A H 4 -ATOM 6204 H HA . SER A 1 87 ? -3.353 -9.676 9.157 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 4 -ATOM 6205 H HB2 . SER A 1 87 ? -2.573 -12.173 10.701 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 4 -ATOM 6206 H HB3 . SER A 1 87 ? -1.543 -10.757 10.485 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 4 -ATOM 6207 H HG . SER A 1 87 ? -3.518 -11.206 12.247 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 4 -ATOM 6208 N N . GLU A 1 88 ? -3.582 -11.638 7.118 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 4 -ATOM 6209 C CA . GLU A 1 88 ? -3.329 -12.265 5.867 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 4 -ATOM 6210 C C . GLU A 1 88 ? -2.536 -11.341 4.949 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 4 -ATOM 6211 O O . GLU A 1 88 ? -1.614 -11.782 4.260 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 4 -ATOM 6212 C CB . GLU A 1 88 ? -4.682 -12.673 5.214 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 4 -ATOM 6213 C CG . GLU A 1 88 ? -5.676 -11.518 4.905 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 4 -ATOM 6214 C CD . GLU A 1 88 ? -6.217 -10.788 6.131 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 4 -ATOM 6215 O OE1 . GLU A 1 88 ? -5.523 -9.916 6.670 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 4 -ATOM 6216 O OE2 . GLU A 1 88 ? -7.323 -11.100 6.596 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 4 -ATOM 6217 H H . GLU A 1 88 ? -4.503 -11.342 7.294 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 4 -ATOM 6218 H HA . GLU A 1 88 ? -2.762 -13.164 6.040 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 4 -ATOM 6219 H HB2 . GLU A 1 88 ? -4.462 -13.172 4.283 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 4 -ATOM 6220 H HB3 . GLU A 1 88 ? -5.175 -13.375 5.869 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 4 -ATOM 6221 H HG2 . GLU A 1 88 ? -5.149 -10.797 4.298 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 4 -ATOM 6222 H HG3 . GLU A 1 88 ? -6.502 -11.929 4.346 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 4 -ATOM 6223 N N . VAL A 1 89 ? -2.851 -10.047 5.017 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 4 -ATOM 6224 C CA . VAL A 1 89 ? -2.239 -9.031 4.156 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 4 -ATOM 6225 C C . VAL A 1 89 ? -0.716 -8.967 4.288 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 4 -ATOM 6226 O O . VAL A 1 89 ? -0.033 -8.576 3.342 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 4 -ATOM 6227 C CB . VAL A 1 89 ? -2.836 -7.613 4.381 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 4 -ATOM 6228 C CG1 . VAL A 1 89 ? -4.327 -7.596 4.065 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 4 -ATOM 6229 C CG2 . VAL A 1 89 ? -2.577 -7.124 5.802 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 4 -ATOM 6230 H H . VAL A 1 89 ? -3.548 -9.787 5.663 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 4 -ATOM 6231 H HA . VAL A 1 89 ? -2.459 -9.323 3.139 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 4 -ATOM 6232 H HB . VAL A 1 89 ? -2.346 -6.938 3.693 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 4 -ATOM 6233 H HG11 . VAL A 1 89 ? -4.483 -7.872 3.032 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 4 -ATOM 6234 H HG12 . VAL A 1 89 ? -4.720 -6.605 4.235 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 4 -ATOM 6235 H HG13 . VAL A 1 89 ? -4.836 -8.300 4.706 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 4 -ATOM 6236 H HG21 . VAL A 1 89 ? -1.514 -7.090 5.984 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 4 -ATOM 6237 H HG22 . VAL A 1 89 ? -3.041 -7.800 6.505 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 4 -ATOM 6238 H HG23 . VAL A 1 89 ? -2.996 -6.135 5.925 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 4 -ATOM 6239 N N . TYR A 1 90 ? -0.194 -9.365 5.446 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 4 -ATOM 6240 C CA . TYR A 1 90 ? 1.243 -9.335 5.679 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 4 -ATOM 6241 C C . TYR A 1 90 ? 1.887 -10.513 4.976 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 4 -ATOM 6242 O O . TYR A 1 90 ? 2.844 -10.362 4.211 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 4 -ATOM 6243 C CB . TYR A 1 90 ? 1.570 -9.442 7.169 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 4 -ATOM 6244 C CG . TYR A 1 90 ? 0.930 -8.416 8.071 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 4 -ATOM 6245 C CD1 . TYR A 1 90 ? 1.311 -7.085 8.038 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 4 -ATOM 6246 C CD2 . TYR A 1 90 ? -0.027 -8.799 8.991 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 4 -ATOM 6247 C CE1 . TYR A 1 90 ? 0.750 -6.168 8.903 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 4 -ATOM 6248 C CE2 . TYR A 1 90 ? -0.597 -7.891 9.850 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 4 -ATOM 6249 C CZ . TYR A 1 90 ? -0.204 -6.579 9.806 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 4 -ATOM 6250 O OH . TYR A 1 90 ? -0.761 -5.672 10.682 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 4 -ATOM 6251 H H . TYR A 1 90 ? -0.797 -9.702 6.141 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 4 -ATOM 6252 H HA . TYR A 1 90 ? 1.643 -8.412 5.289 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 4 -ATOM 6253 H HB2 . TYR A 1 90 ? 1.250 -10.412 7.518 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 4 -ATOM 6254 H HB3 . TYR A 1 90 ? 2.641 -9.371 7.288 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 4 -ATOM 6255 H HD1 . TYR A 1 90 ? 2.057 -6.772 7.323 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 4 -ATOM 6256 H HD2 . TYR A 1 90 ? -0.332 -9.833 9.022 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 4 -ATOM 6257 H HE1 . TYR A 1 90 ? 1.055 -5.133 8.868 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 4 -ATOM 6258 H HE2 . TYR A 1 90 ? -1.344 -8.215 10.558 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 4 -ATOM 6259 H HH . TYR A 1 90 ? -0.777 -6.101 11.549 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 4 -ATOM 6260 N N . SER A 1 91 ? 1.327 -11.679 5.225 1.00 0.00 ? ? ? ? ? ? 88 SER A N 4 -ATOM 6261 C CA . SER A 1 91 ? 1.820 -12.926 4.701 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 4 -ATOM 6262 C C . SER A 1 91 ? 1.762 -12.948 3.174 1.00 0.00 ? ? ? ? ? ? 88 SER A C 4 -ATOM 6263 O O . SER A 1 91 ? 2.727 -13.349 2.517 1.00 0.00 ? ? ? ? ? ? 88 SER A O 4 -ATOM 6264 C CB . SER A 1 91 ? 1.003 -14.051 5.305 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 4 -ATOM 6265 O OG . SER A 1 91 ? 0.979 -13.906 6.719 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 4 -ATOM 6266 H H . SER A 1 91 ? 0.538 -11.732 5.805 1.00 0.00 ? ? ? ? ? ? 88 SER A H 4 -ATOM 6267 H HA . SER A 1 91 ? 2.846 -13.042 5.018 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 4 -ATOM 6268 H HB2 . SER A 1 91 ? -0.006 -14.010 4.922 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 4 -ATOM 6269 H HB3 . SER A 1 91 ? 1.451 -15.002 5.059 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 4 -ATOM 6270 H HG . SER A 1 91 ? 0.368 -14.563 7.074 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 4 -ATOM 6271 N N . GLU A 1 92 ? 0.661 -12.462 2.614 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 4 -ATOM 6272 C CA . GLU A 1 92 ? 0.506 -12.418 1.167 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 4 -ATOM 6273 C C . GLU A 1 92 ? 1.510 -11.449 0.555 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 4 -ATOM 6274 O O . GLU A 1 92 ? 1.978 -11.644 -0.565 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 4 -ATOM 6275 C CB . GLU A 1 92 ? -0.897 -11.988 0.773 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 4 -ATOM 6276 C CG . GLU A 1 92 ? -2.013 -12.844 1.329 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 4 -ATOM 6277 C CD . GLU A 1 92 ? -3.354 -12.427 0.790 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 4 -ATOM 6278 O OE1 . GLU A 1 92 ? -3.727 -11.254 0.924 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 4 -ATOM 6279 O OE2 . GLU A 1 92 ? -4.038 -13.261 0.173 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 4 -ATOM 6280 H H . GLU A 1 92 ? -0.073 -12.140 3.186 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 4 -ATOM 6281 H HA . GLU A 1 92 ? 0.695 -13.409 0.782 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 4 -ATOM 6282 H HB2 . GLU A 1 92 ? -1.055 -10.977 1.117 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 4 -ATOM 6283 H HB3 . GLU A 1 92 ? -0.968 -11.997 -0.304 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 4 -ATOM 6284 H HG2 . GLU A 1 92 ? -1.830 -13.874 1.060 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 4 -ATOM 6285 H HG3 . GLU A 1 92 ? -2.025 -12.749 2.405 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 4 -ATOM 6286 N N . ALA A 1 93 ? 1.858 -10.424 1.314 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 4 -ATOM 6287 C CA . ALA A 1 93 ? 2.780 -9.417 0.854 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 4 -ATOM 6288 C C . ALA A 1 93 ? 4.193 -9.965 0.791 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 4 -ATOM 6289 O O . ALA A 1 93 ? 4.834 -9.921 -0.261 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 4 -ATOM 6290 C CB . ALA A 1 93 ? 2.718 -8.172 1.727 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 4 -ATOM 6291 H H . ALA A 1 93 ? 1.485 -10.362 2.218 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 4 -ATOM 6292 H HA . ALA A 1 93 ? 2.469 -9.149 -0.144 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 4 -ATOM 6293 H HB1 . ALA A 1 93 ? 3.369 -7.411 1.323 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 4 -ATOM 6294 H HB2 . ALA A 1 93 ? 3.035 -8.421 2.729 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 4 -ATOM 6295 H HB3 . ALA A 1 93 ? 1.703 -7.803 1.754 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 4 -ATOM 6296 N N . VAL A 1 94 ? 4.661 -10.532 1.897 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 4 -ATOM 6297 C CA . VAL A 1 94 ? 6.022 -11.049 1.969 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 4 -ATOM 6298 C C . VAL A 1 94 ? 6.238 -12.205 0.973 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 4 -ATOM 6299 O O . VAL A 1 94 ? 7.276 -12.290 0.321 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 4 -ATOM 6300 C CB . VAL A 1 94 ? 6.436 -11.453 3.431 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 4 -ATOM 6301 C CG1 . VAL A 1 94 ? 5.597 -12.595 3.985 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 4 -ATOM 6302 C CG2 . VAL A 1 94 ? 7.923 -11.766 3.524 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 4 -ATOM 6303 H H . VAL A 1 94 ? 4.071 -10.594 2.682 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 4 -ATOM 6304 H HA . VAL A 1 94 ? 6.662 -10.241 1.643 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 4 -ATOM 6305 H HB . VAL A 1 94 ? 6.239 -10.596 4.059 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 4 -ATOM 6306 H HG11 . VAL A 1 94 ? 5.725 -13.471 3.364 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 4 -ATOM 6307 H HG12 . VAL A 1 94 ? 4.557 -12.306 3.981 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 4 -ATOM 6308 H HG13 . VAL A 1 94 ? 5.907 -12.820 4.996 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 4 -ATOM 6309 H HG21 . VAL A 1 94 ? 8.157 -12.585 2.861 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 4 -ATOM 6310 H HG22 . VAL A 1 94 ? 8.171 -12.043 4.538 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 4 -ATOM 6311 H HG23 . VAL A 1 94 ? 8.496 -10.896 3.238 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 4 -ATOM 6312 N N . LYS A 1 95 ? 5.216 -13.028 0.794 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 4 -ATOM 6313 C CA . LYS A 1 95 ? 5.288 -14.159 -0.124 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 4 -ATOM 6314 C C . LYS A 1 95 ? 5.160 -13.722 -1.585 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 4 -ATOM 6315 O O . LYS A 1 95 ? 5.349 -14.525 -2.505 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 4 -ATOM 6316 C CB . LYS A 1 95 ? 4.262 -15.239 0.236 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 4 -ATOM 6317 C CG . LYS A 1 95 ? 4.505 -15.902 1.599 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 4 -ATOM 6318 C CD . LYS A 1 95 ? 5.877 -16.586 1.678 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 4 -ATOM 6319 C CE . LYS A 1 95 ? 6.009 -17.746 0.692 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 4 -ATOM 6320 N NZ . LYS A 1 95 ? 5.048 -18.830 0.982 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 4 -ATOM 6321 H H . LYS A 1 95 ? 4.389 -12.882 1.306 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 4 -ATOM 6322 H HA . LYS A 1 95 ? 6.277 -14.576 -0.012 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 4 -ATOM 6323 H HB2 . LYS A 1 95 ? 3.283 -14.784 0.258 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 4 -ATOM 6324 H HB3 . LYS A 1 95 ? 4.273 -16.007 -0.523 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 4 -ATOM 6325 H HG2 . LYS A 1 95 ? 4.450 -15.146 2.368 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 4 -ATOM 6326 H HG3 . LYS A 1 95 ? 3.734 -16.639 1.770 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 4 -ATOM 6327 H HD2 . LYS A 1 95 ? 6.658 -15.867 1.484 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 4 -ATOM 6328 H HD3 . LYS A 1 95 ? 6.002 -16.969 2.680 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 4 -ATOM 6329 H HE2 . LYS A 1 95 ? 5.836 -17.382 -0.310 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 4 -ATOM 6330 H HE3 . LYS A 1 95 ? 7.013 -18.141 0.754 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 4 -ATOM 6331 H HZ1 . LYS A 1 95 ? 5.235 -19.249 1.915 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 4 -ATOM 6332 H HZ2 . LYS A 1 95 ? 5.129 -19.608 0.295 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 4 -ATOM 6333 H HZ3 . LYS A 1 95 ? 4.065 -18.494 0.976 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 4 -ATOM 6334 N N . ARG A 1 96 ? 4.789 -12.473 -1.790 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 4 -ATOM 6335 C CA . ARG A 1 96 ? 4.730 -11.903 -3.119 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 4 -ATOM 6336 C C . ARG A 1 96 ? 6.102 -11.362 -3.494 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 4 -ATOM 6337 O O . ARG A 1 96 ? 6.517 -11.410 -4.658 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 4 -ATOM 6338 C CB . ARG A 1 96 ? 3.654 -10.801 -3.198 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 4 -ATOM 6339 C CG . ARG A 1 96 ? 3.523 -10.113 -4.555 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 4 -ATOM 6340 C CD . ARG A 1 96 ? 3.171 -11.095 -5.663 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 4 -ATOM 6341 N NE . ARG A 1 96 ? 3.021 -10.418 -6.952 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 4 -ATOM 6342 C CZ . ARG A 1 96 ? 3.076 -10.997 -8.152 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 4 -ATOM 6343 N NH1 . ARG A 1 96 ? 3.332 -12.289 -8.269 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 4 -ATOM 6344 N NH2 . ARG A 1 96 ? 2.886 -10.256 -9.225 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 4 -ATOM 6345 H H . ARG A 1 96 ? 4.539 -11.917 -1.020 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 4 -ATOM 6346 H HA . ARG A 1 96 ? 4.485 -12.696 -3.804 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 4 -ATOM 6347 H HB2 . ARG A 1 96 ? 2.696 -11.237 -2.956 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 4 -ATOM 6348 H HB3 . ARG A 1 96 ? 3.885 -10.050 -2.456 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 4 -ATOM 6349 H HG2 . ARG A 1 96 ? 2.748 -9.364 -4.497 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 4 -ATOM 6350 H HG3 . ARG A 1 96 ? 4.463 -9.636 -4.794 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 4 -ATOM 6351 H HD2 . ARG A 1 96 ? 3.960 -11.826 -5.741 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 4 -ATOM 6352 H HD3 . ARG A 1 96 ? 2.242 -11.588 -5.414 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 4 -ATOM 6353 H HE . ARG A 1 96 ? 2.848 -9.443 -6.929 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 4 -ATOM 6354 H HH11 . ARG A 1 96 ? 3.498 -12.871 -7.469 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 4 -ATOM 6355 H HH12 . ARG A 1 96 ? 3.365 -12.754 -9.157 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 4 -ATOM 6356 H HH21 . ARG A 1 96 ? 2.702 -9.273 -9.105 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 4 -ATOM 6357 H HH22 . ARG A 1 96 ? 2.903 -10.599 -10.170 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 4 -ATOM 6358 N N . ILE A 1 97 ? 6.805 -10.890 -2.499 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 4 -ATOM 6359 C CA . ILE A 1 97 ? 8.131 -10.333 -2.673 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 4 -ATOM 6360 C C . ILE A 1 97 ? 9.150 -11.458 -2.811 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 4 -ATOM 6361 O O . ILE A 1 97 ? 9.963 -11.464 -3.744 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 4 -ATOM 6362 C CB . ILE A 1 97 ? 8.502 -9.454 -1.460 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 4 -ATOM 6363 C CG1 . ILE A 1 97 ? 7.438 -8.379 -1.271 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 4 -ATOM 6364 C CG2 . ILE A 1 97 ? 9.882 -8.815 -1.654 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 4 -ATOM 6365 C CD1 . ILE A 1 97 ? 7.547 -7.641 0.031 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 4 -ATOM 6366 H H . ILE A 1 97 ? 6.410 -10.910 -1.601 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 4 -ATOM 6367 H HA . ILE A 1 97 ? 8.140 -9.724 -3.564 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 4 -ATOM 6368 H HB . ILE A 1 97 ? 8.530 -10.076 -0.579 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 4 -ATOM 6369 H HG12 . ILE A 1 97 ? 7.522 -7.654 -2.066 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 4 -ATOM 6370 H HG13 . ILE A 1 97 ? 6.462 -8.841 -1.312 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 4 -ATOM 6371 H HG21 . ILE A 1 97 ? 10.121 -8.203 -0.797 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 4 -ATOM 6372 H HG22 . ILE A 1 97 ? 9.872 -8.201 -2.542 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 4 -ATOM 6373 H HG23 . ILE A 1 97 ? 10.626 -9.590 -1.762 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 4 -ATOM 6374 H HD11 . ILE A 1 97 ? 8.506 -7.151 0.093 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 4 -ATOM 6375 H HD12 . ILE A 1 97 ? 7.434 -8.362 0.827 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 4 -ATOM 6376 H HD13 . ILE A 1 97 ? 6.749 -6.917 0.086 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 4 -ATOM 6377 N N . LEU A 1 98 ? 9.083 -12.402 -1.895 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 4 -ATOM 6378 C CA . LEU A 1 98 ? 9.984 -13.536 -1.860 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 4 -ATOM 6379 C C . LEU A 1 98 ? 9.647 -14.512 -2.959 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 4 -ATOM 6380 O O . LEU A 1 98 ? 10.494 -14.752 -3.842 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 4 -ATOM 6381 C CB . LEU A 1 98 ? 9.938 -14.240 -0.504 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 4 -ATOM 6382 C CG . LEU A 1 98 ? 10.361 -13.418 0.714 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 4 -ATOM 6383 C CD1 . LEU A 1 98 ? 10.264 -14.260 1.972 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 4 -ATOM 6384 C CD2 . LEU A 1 98 ? 11.773 -12.877 0.541 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 4 -ATOM 6385 O OXT . LEU A 1 98 ? 8.511 -15.008 -2.988 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 4 -ATOM 6386 H H . LEU A 1 98 ? 8.380 -12.355 -1.209 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 4 -ATOM 6387 H HA . LEU A 1 98 ? 10.986 -13.167 -2.025 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 4 -ATOM 6388 H HB2 . LEU A 1 98 ? 8.926 -14.581 -0.340 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 4 -ATOM 6389 H HB3 . LEU A 1 98 ? 10.579 -15.106 -0.563 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 4 -ATOM 6390 H HG . LEU A 1 98 ? 9.686 -12.583 0.822 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 4 -ATOM 6391 H HD11 . LEU A 1 98 ? 10.911 -15.121 1.882 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 4 -ATOM 6392 H HD12 . LEU A 1 98 ? 9.245 -14.589 2.110 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 4 -ATOM 6393 H HD13 . LEU A 1 98 ? 10.568 -13.669 2.823 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 4 -ATOM 6394 H HD21 . LEU A 1 98 ? 12.056 -12.331 1.428 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 4 -ATOM 6395 H HD22 . LEU A 1 98 ? 11.802 -12.210 -0.309 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 4 -ATOM 6396 H HD23 . LEU A 1 98 ? 12.460 -13.695 0.383 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 4 -ATOM 6397 N N . MET A 1 4 ? 11.222 15.419 -2.426 1.00 0.00 ? ? ? ? ? ? 1 MET A N 5 -ATOM 6398 C CA . MET A 1 4 ? 11.152 14.569 -3.604 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 5 -ATOM 6399 C C . MET A 1 4 ? 10.014 13.597 -3.449 1.00 0.00 ? ? ? ? ? ? 1 MET A C 5 -ATOM 6400 O O . MET A 1 4 ? 9.766 13.091 -2.351 1.00 0.00 ? ? ? ? ? ? 1 MET A O 5 -ATOM 6401 C CB . MET A 1 4 ? 12.478 13.808 -3.855 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 5 -ATOM 6402 C CG . MET A 1 4 ? 12.874 12.805 -2.770 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 5 -ATOM 6403 S SD . MET A 1 4 ? 14.447 11.981 -3.114 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 5 -ATOM 6404 C CE . MET A 1 4 ? 14.080 11.130 -4.648 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 5 -ATOM 6405 H H . MET A 1 4 ? 11.985 16.119 -2.491 1.00 0.00 ? ? ? ? ? ? 1 MET A H 5 -ATOM 6406 H HA . MET A 1 4 ? 10.942 15.210 -4.446 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 5 -ATOM 6407 H HB2 . MET A 1 4 ? 12.383 13.265 -4.784 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 5 -ATOM 6408 H HB3 . MET A 1 4 ? 13.279 14.525 -3.961 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 5 -ATOM 6409 H HG2 . MET A 1 4 ? 12.953 13.321 -1.825 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 5 -ATOM 6410 H HG3 . MET A 1 4 ? 12.101 12.055 -2.699 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 5 -ATOM 6411 H HE1 . MET A 1 4 ? 14.941 10.556 -4.956 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 5 -ATOM 6412 H HE2 . MET A 1 4 ? 13.846 11.853 -5.417 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 5 -ATOM 6413 H HE3 . MET A 1 4 ? 13.239 10.469 -4.503 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 5 -ATOM 6414 N N . ALA A 1 5 ? 9.308 13.368 -4.517 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 5 -ATOM 6415 C CA . ALA A 1 5 ? 8.204 12.464 -4.511 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 5 -ATOM 6416 C C . ALA A 1 5 ? 8.650 11.125 -5.045 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 5 -ATOM 6417 O O . ALA A 1 5 ? 9.600 11.038 -5.839 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 5 -ATOM 6418 C CB . ALA A 1 5 ? 7.057 13.017 -5.343 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 5 -ATOM 6419 H H . ALA A 1 5 ? 9.541 13.815 -5.360 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 5 -ATOM 6420 H HA . ALA A 1 5 ? 7.864 12.347 -3.492 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 5 -ATOM 6421 H HB1 . ALA A 1 5 ? 7.384 13.136 -6.365 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 5 -ATOM 6422 H HB2 . ALA A 1 5 ? 6.755 13.976 -4.949 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 5 -ATOM 6423 H HB3 . ALA A 1 5 ? 6.222 12.333 -5.309 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 5 -ATOM 6424 N N . TYR A 1 6 ? 8.012 10.100 -4.592 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 5 -ATOM 6425 C CA . TYR A 1 6 ? 8.286 8.762 -5.038 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 5 -ATOM 6426 C C . TYR A 1 6 ? 7.191 8.360 -6.000 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 5 -ATOM 6427 O O . TYR A 1 6 ? 6.126 8.973 -6.009 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 5 -ATOM 6428 C CB . TYR A 1 6 ? 8.344 7.785 -3.844 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 5 -ATOM 6429 C CG . TYR A 1 6 ? 9.458 8.063 -2.831 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 5 -ATOM 6430 C CD1 . TYR A 1 6 ? 9.461 9.230 -2.078 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 5 -ATOM 6431 C CD2 . TYR A 1 6 ? 10.500 7.155 -2.628 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 5 -ATOM 6432 C CE1 . TYR A 1 6 ? 10.444 9.497 -1.160 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 5 -ATOM 6433 C CE2 . TYR A 1 6 ? 11.499 7.417 -1.694 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 5 -ATOM 6434 C CZ . TYR A 1 6 ? 11.460 8.596 -0.966 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 5 -ATOM 6435 O OH . TYR A 1 6 ? 12.432 8.872 -0.028 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 5 -ATOM 6436 H H . TYR A 1 6 ? 7.311 10.243 -3.919 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 5 -ATOM 6437 H HA . TYR A 1 6 ? 9.235 8.764 -5.552 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 5 -ATOM 6438 H HB2 . TYR A 1 6 ? 7.406 7.833 -3.310 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 5 -ATOM 6439 H HB3 . TYR A 1 6 ? 8.480 6.783 -4.222 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 5 -ATOM 6440 H HD1 . TYR A 1 6 ? 8.662 9.943 -2.224 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 5 -ATOM 6441 H HD2 . TYR A 1 6 ? 10.526 6.238 -3.200 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 5 -ATOM 6442 H HE1 . TYR A 1 6 ? 10.411 10.415 -0.594 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 5 -ATOM 6443 H HE2 . TYR A 1 6 ? 12.300 6.709 -1.545 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 5 -ATOM 6444 H HH . TYR A 1 6 ? 13.301 8.680 -0.410 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 5 -ATOM 6445 N N . PHE A 1 7 ? 7.449 7.380 -6.815 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 5 -ATOM 6446 C CA . PHE A 1 7 ? 6.464 6.893 -7.767 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 5 -ATOM 6447 C C . PHE A 1 7 ? 5.501 5.951 -7.077 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 5 -ATOM 6448 O O . PHE A 1 7 ? 5.800 5.448 -6.012 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 5 -ATOM 6449 C CB . PHE A 1 7 ? 7.158 6.187 -8.932 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 5 -ATOM 6450 C CG . PHE A 1 7 ? 7.948 7.104 -9.813 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 5 -ATOM 6451 C CD1 . PHE A 1 7 ? 7.320 7.809 -10.821 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 5 -ATOM 6452 C CD2 . PHE A 1 7 ? 9.312 7.260 -9.639 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 5 -ATOM 6453 C CE1 . PHE A 1 7 ? 8.031 8.653 -11.641 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 5 -ATOM 6454 C CE2 . PHE A 1 7 ? 10.030 8.104 -10.458 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 5 -ATOM 6455 C CZ . PHE A 1 7 ? 9.384 8.803 -11.460 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 5 -ATOM 6456 H H . PHE A 1 7 ? 8.332 6.946 -6.779 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 5 -ATOM 6457 H HA . PHE A 1 7 ? 5.916 7.744 -8.146 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 5 -ATOM 6458 H HB2 . PHE A 1 7 ? 7.847 5.462 -8.526 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 5 -ATOM 6459 H HB3 . PHE A 1 7 ? 6.428 5.671 -9.537 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 5 -ATOM 6460 H HD1 . PHE A 1 7 ? 6.256 7.694 -10.963 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 5 -ATOM 6461 H HD2 . PHE A 1 7 ? 9.815 6.713 -8.856 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 5 -ATOM 6462 H HE1 . PHE A 1 7 ? 7.527 9.197 -12.426 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 5 -ATOM 6463 H HE2 . PHE A 1 7 ? 11.093 8.221 -10.313 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 5 -ATOM 6464 H HZ . PHE A 1 7 ? 9.939 9.467 -12.107 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 5 -ATOM 6465 N N . LEU A 1 8 ? 4.354 5.732 -7.660 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 5 -ATOM 6466 C CA . LEU A 1 8 ? 3.374 4.823 -7.091 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 5 -ATOM 6467 C C . LEU A 1 8 ? 3.003 3.786 -8.153 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 5 -ATOM 6468 O O . LEU A 1 8 ? 2.673 4.147 -9.297 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 5 -ATOM 6469 C CB . LEU A 1 8 ? 2.117 5.625 -6.632 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 5 -ATOM 6470 C CG . LEU A 1 8 ? 1.144 4.972 -5.595 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 5 -ATOM 6471 C CD1 . LEU A 1 8 ? 0.483 3.706 -6.095 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 5 -ATOM 6472 C CD2 . LEU A 1 8 ? 1.843 4.704 -4.281 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 5 -ATOM 6473 H H . LEU A 1 8 ? 4.140 6.203 -8.495 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 5 -ATOM 6474 H HA . LEU A 1 8 ? 3.820 4.328 -6.241 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 5 -ATOM 6475 H HB2 . LEU A 1 8 ? 2.460 6.559 -6.214 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 5 -ATOM 6476 H HB3 . LEU A 1 8 ? 1.548 5.857 -7.521 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 5 -ATOM 6477 H HG . LEU A 1 8 ? 0.352 5.679 -5.398 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 5 -ATOM 6478 H HD11 . LEU A 1 8 ? -0.144 3.925 -6.946 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 5 -ATOM 6479 H HD12 . LEU A 1 8 ? -0.101 3.281 -5.292 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 5 -ATOM 6480 H HD13 . LEU A 1 8 ? 1.251 3.000 -6.379 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 5 -ATOM 6481 H HD21 . LEU A 1 8 ? 1.168 4.186 -3.619 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 5 -ATOM 6482 H HD22 . LEU A 1 8 ? 2.133 5.638 -3.823 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 5 -ATOM 6483 H HD23 . LEU A 1 8 ? 2.716 4.092 -4.451 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 5 -ATOM 6484 N N . ASP A 1 9 ? 3.087 2.524 -7.802 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 5 -ATOM 6485 C CA . ASP A 1 9 ? 2.708 1.455 -8.712 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 5 -ATOM 6486 C C . ASP A 1 9 ? 1.950 0.389 -7.944 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 5 -ATOM 6487 O O . ASP A 1 9 ? 2.107 0.266 -6.728 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 5 -ATOM 6488 C CB . ASP A 1 9 ? 3.938 0.854 -9.405 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 5 -ATOM 6489 C CG . ASP A 1 9 ? 3.577 -0.114 -10.516 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 5 -ATOM 6490 O OD1 . ASP A 1 9 ? 2.769 0.260 -11.410 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 5 -ATOM 6491 O OD2 . ASP A 1 9 ? 4.104 -1.227 -10.543 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 5 -ATOM 6492 H H . ASP A 1 9 ? 3.408 2.285 -6.901 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 5 -ATOM 6493 H HA . ASP A 1 9 ? 2.048 1.878 -9.453 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 5 -ATOM 6494 H HB2 . ASP A 1 9 ? 4.562 1.637 -9.810 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 5 -ATOM 6495 H HB3 . ASP A 1 9 ? 4.484 0.307 -8.653 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 5 -ATOM 6496 N N . PHE A 1 10 ? 1.130 -0.356 -8.626 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 5 -ATOM 6497 C CA . PHE A 1 10 ? 0.301 -1.371 -7.994 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 5 -ATOM 6498 C C . PHE A 1 10 ? 0.670 -2.752 -8.497 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 5 -ATOM 6499 O O . PHE A 1 10 ? 1.005 -2.929 -9.678 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 5 -ATOM 6500 C CB . PHE A 1 10 ? -1.190 -1.150 -8.305 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 5 -ATOM 6501 C CG . PHE A 1 10 ? -1.802 0.128 -7.795 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 5 -ATOM 6502 C CD1 . PHE A 1 10 ? -2.389 0.174 -6.543 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 5 -ATOM 6503 C CD2 . PHE A 1 10 ? -1.822 1.269 -8.582 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 5 -ATOM 6504 C CE1 . PHE A 1 10 ? -2.981 1.335 -6.083 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 5 -ATOM 6505 C CE2 . PHE A 1 10 ? -2.409 2.432 -8.127 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 5 -ATOM 6506 C CZ . PHE A 1 10 ? -2.990 2.465 -6.876 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 5 -ATOM 6507 H H . PHE A 1 10 ? 1.105 -0.238 -9.598 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 5 -ATOM 6508 H HA . PHE A 1 10 ? 0.441 -1.319 -6.926 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 5 -ATOM 6509 H HB2 . PHE A 1 10 ? -1.320 -1.155 -9.377 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 5 -ATOM 6510 H HB3 . PHE A 1 10 ? -1.747 -1.978 -7.892 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 5 -ATOM 6511 H HD1 . PHE A 1 10 ? -2.377 -0.708 -5.921 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 5 -ATOM 6512 H HD2 . PHE A 1 10 ? -1.367 1.244 -9.562 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 5 -ATOM 6513 H HE1 . PHE A 1 10 ? -3.436 1.358 -5.104 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 5 -ATOM 6514 H HE2 . PHE A 1 10 ? -2.413 3.315 -8.749 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 5 -ATOM 6515 H HZ . PHE A 1 10 ? -3.452 3.374 -6.520 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 5 -ATOM 6516 N N . ASP A 1 11 ? 0.623 -3.711 -7.616 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 5 -ATOM 6517 C CA . ASP A 1 11 ? 0.796 -5.110 -7.971 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 5 -ATOM 6518 C C . ASP A 1 11 ? -0.484 -5.627 -8.613 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 5 -ATOM 6519 O O . ASP A 1 11 ? -1.559 -5.050 -8.397 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 5 -ATOM 6520 C CB . ASP A 1 11 ? 1.140 -5.966 -6.747 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 5 -ATOM 6521 C CG . ASP A 1 11 ? 1.351 -7.415 -7.118 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 5 -ATOM 6522 O OD1 . ASP A 1 11 ? 2.413 -7.751 -7.692 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 5 -ATOM 6523 O OD2 . ASP A 1 11 ? 0.440 -8.224 -6.914 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 5 -ATOM 6524 H H . ASP A 1 11 ? 0.492 -3.491 -6.666 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 5 -ATOM 6525 H HA . ASP A 1 11 ? 1.596 -5.177 -8.694 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 5 -ATOM 6526 H HB2 . ASP A 1 11 ? 2.045 -5.593 -6.293 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 5 -ATOM 6527 H HB3 . ASP A 1 11 ? 0.329 -5.909 -6.036 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 5 -ATOM 6528 N N . GLU A 1 12 ? -0.372 -6.679 -9.414 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 5 -ATOM 6529 C CA . GLU A 1 12 ? -1.510 -7.290 -10.078 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 5 -ATOM 6530 C C . GLU A 1 12 ? -2.612 -7.652 -9.063 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 5 -ATOM 6531 O O . GLU A 1 12 ? -3.795 -7.481 -9.360 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 5 -ATOM 6532 C CB . GLU A 1 12 ? -1.077 -8.554 -10.841 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 5 -ATOM 6533 C CG . GLU A 1 12 ? -0.500 -9.642 -9.948 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 5 -ATOM 6534 C CD . GLU A 1 12 ? -0.182 -10.911 -10.674 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 5 -ATOM 6535 O OE1 . GLU A 1 12 ? -1.091 -11.727 -10.891 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 5 -ATOM 6536 O OE2 . GLU A 1 12 ? 0.987 -11.134 -11.020 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 5 -ATOM 6537 H H . GLU A 1 12 ? 0.519 -7.065 -9.546 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 5 -ATOM 6538 H HA . GLU A 1 12 ? -1.908 -6.577 -10.784 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 5 -ATOM 6539 H HB2 . GLU A 1 12 ? -1.937 -8.961 -11.352 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 5 -ATOM 6540 H HB3 . GLU A 1 12 ? -0.329 -8.281 -11.571 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 5 -ATOM 6541 H HG2 . GLU A 1 12 ? 0.410 -9.274 -9.497 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 5 -ATOM 6542 H HG3 . GLU A 1 12 ? -1.217 -9.855 -9.168 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 5 -ATOM 6543 N N . ARG A 1 13 ? -2.219 -8.106 -7.856 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 5 -ATOM 6544 C CA . ARG A 1 13 ? -3.186 -8.467 -6.822 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 5 -ATOM 6545 C C . ARG A 1 13 ? -3.844 -7.222 -6.300 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 5 -ATOM 6546 O O . ARG A 1 13 ? -5.064 -7.150 -6.177 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 5 -ATOM 6547 C CB . ARG A 1 13 ? -2.531 -9.186 -5.643 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 5 -ATOM 6548 C CG . ARG A 1 13 ? -1.811 -10.473 -5.976 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 5 -ATOM 6549 C CD . ARG A 1 13 ? -1.319 -11.128 -4.700 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 5 -ATOM 6550 N NE . ARG A 1 13 ? -0.534 -12.346 -4.940 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 5 -ATOM 6551 C CZ . ARG A 1 13 ? -0.351 -13.318 -4.033 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 5 -ATOM 6552 N NH1 . ARG A 1 13 ? -1.081 -13.343 -2.920 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 5 -ATOM 6553 N NH2 . ARG A 1 13 ? 0.508 -14.304 -4.275 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 5 -ATOM 6554 H H . ARG A 1 13 ? -1.255 -8.190 -7.653 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 5 -ATOM 6555 H HA . ARG A 1 13 ? -3.931 -9.113 -7.263 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 5 -ATOM 6556 H HB2 . ARG A 1 13 ? -1.812 -8.518 -5.193 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 5 -ATOM 6557 H HB3 . ARG A 1 13 ? -3.297 -9.403 -4.915 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 5 -ATOM 6558 H HG2 . ARG A 1 13 ? -2.495 -11.135 -6.485 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 5 -ATOM 6559 H HG3 . ARG A 1 13 ? -0.966 -10.254 -6.613 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 5 -ATOM 6560 H HD2 . ARG A 1 13 ? -0.706 -10.421 -4.160 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 5 -ATOM 6561 H HD3 . ARG A 1 13 ? -2.180 -11.381 -4.099 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 5 -ATOM 6562 H HE . ARG A 1 13 ? -0.094 -12.383 -5.821 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 5 -ATOM 6563 H HH11 . ARG A 1 13 ? -1.796 -12.660 -2.711 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 5 -ATOM 6564 H HH12 . ARG A 1 13 ? -0.947 -14.055 -2.226 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 5 -ATOM 6565 H HH21 . ARG A 1 13 ? 1.032 -14.361 -5.128 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 5 -ATOM 6566 H HH22 . ARG A 1 13 ? 0.693 -15.036 -3.610 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 5 -ATOM 6567 N N . ALA A 1 14 ? -3.020 -6.219 -6.053 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 5 -ATOM 6568 C CA . ALA A 1 14 ? -3.463 -4.950 -5.511 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 5 -ATOM 6569 C C . ALA A 1 14 ? -4.487 -4.285 -6.411 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 5 -ATOM 6570 O O . ALA A 1 14 ? -5.393 -3.644 -5.929 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 5 -ATOM 6571 C CB . ALA A 1 14 ? -2.283 -4.029 -5.278 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 5 -ATOM 6572 H H . ALA A 1 14 ? -2.068 -6.346 -6.248 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 5 -ATOM 6573 H HA . ALA A 1 14 ? -3.925 -5.153 -4.557 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 5 -ATOM 6574 H HB1 . ALA A 1 14 ? -1.567 -4.506 -4.626 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 5 -ATOM 6575 H HB2 . ALA A 1 14 ? -2.627 -3.109 -4.828 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 5 -ATOM 6576 H HB3 . ALA A 1 14 ? -1.812 -3.811 -6.226 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 5 -ATOM 6577 N N . LEU A 1 15 ? -4.360 -4.487 -7.716 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 5 -ATOM 6578 C CA . LEU A 1 15 ? -5.282 -3.900 -8.672 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 5 -ATOM 6579 C C . LEU A 1 15 ? -6.648 -4.535 -8.591 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 5 -ATOM 6580 O O . LEU A 1 15 ? -7.667 -3.854 -8.704 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 5 -ATOM 6581 C CB . LEU A 1 15 ? -4.735 -4.001 -10.083 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 5 -ATOM 6582 C CG . LEU A 1 15 ? -3.628 -3.021 -10.447 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 5 -ATOM 6583 C CD1 . LEU A 1 15 ? -3.077 -3.350 -11.820 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 5 -ATOM 6584 C CD2 . LEU A 1 15 ? -4.165 -1.589 -10.430 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 5 -ATOM 6585 H H . LEU A 1 15 ? -3.631 -5.058 -8.042 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 5 -ATOM 6586 H HA . LEU A 1 15 ? -5.385 -2.856 -8.418 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 5 -ATOM 6587 H HB2 . LEU A 1 15 ? -4.358 -5.004 -10.219 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 5 -ATOM 6588 H HB3 . LEU A 1 15 ? -5.561 -3.859 -10.759 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 5 -ATOM 6589 H HG . LEU A 1 15 ? -2.828 -3.092 -9.726 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 5 -ATOM 6590 H HD11 . LEU A 1 15 ? -2.673 -4.352 -11.815 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 5 -ATOM 6591 H HD12 . LEU A 1 15 ? -2.299 -2.646 -12.071 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 5 -ATOM 6592 H HD13 . LEU A 1 15 ? -3.873 -3.286 -12.546 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 5 -ATOM 6593 H HD21 . LEU A 1 15 ? -4.519 -1.331 -9.443 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 5 -ATOM 6594 H HD22 . LEU A 1 15 ? -4.989 -1.511 -11.125 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 5 -ATOM 6595 H HD23 . LEU A 1 15 ? -3.382 -0.907 -10.722 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 5 -ATOM 6596 N N . LYS A 1 16 ? -6.663 -5.824 -8.355 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 5 -ATOM 6597 C CA . LYS A 1 16 ? -7.902 -6.575 -8.258 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 5 -ATOM 6598 C C . LYS A 1 16 ? -8.634 -6.132 -7.009 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 5 -ATOM 6599 O O . LYS A 1 16 ? -9.838 -5.861 -7.035 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 5 -ATOM 6600 C CB . LYS A 1 16 ? -7.589 -8.061 -8.157 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 5 -ATOM 6601 C CG . LYS A 1 16 ? -6.722 -8.577 -9.279 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 5 -ATOM 6602 C CD . LYS A 1 16 ? -6.228 -9.971 -8.983 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 5 -ATOM 6603 C CE . LYS A 1 16 ? -5.241 -10.457 -10.033 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 5 -ATOM 6604 N NZ . LYS A 1 16 ? -5.808 -10.445 -11.400 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 5 -ATOM 6605 H H . LYS A 1 16 ? -5.810 -6.287 -8.225 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 5 -ATOM 6606 H HA . LYS A 1 16 ? -8.499 -6.385 -9.137 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 5 -ATOM 6607 H HB2 . LYS A 1 16 ? -7.082 -8.243 -7.222 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 5 -ATOM 6608 H HB3 . LYS A 1 16 ? -8.518 -8.613 -8.164 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 5 -ATOM 6609 H HG2 . LYS A 1 16 ? -7.296 -8.590 -10.193 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 5 -ATOM 6610 H HG3 . LYS A 1 16 ? -5.872 -7.920 -9.394 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 5 -ATOM 6611 H HD2 . LYS A 1 16 ? -5.710 -9.910 -8.036 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 5 -ATOM 6612 H HD3 . LYS A 1 16 ? -7.064 -10.651 -8.913 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 5 -ATOM 6613 H HE2 . LYS A 1 16 ? -4.375 -9.813 -10.018 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 5 -ATOM 6614 H HE3 . LYS A 1 16 ? -4.942 -11.463 -9.781 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 5 -ATOM 6615 H HZ1 . LYS A 1 16 ? -6.679 -11.010 -11.454 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 5 -ATOM 6616 H HZ2 . LYS A 1 16 ? -5.138 -10.850 -12.084 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 5 -ATOM 6617 H HZ3 . LYS A 1 16 ? -6.029 -9.482 -11.720 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 5 -ATOM 6618 N N . GLU A 1 17 ? -7.879 -6.000 -5.932 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 5 -ATOM 6619 C CA . GLU A 1 17 ? -8.413 -5.577 -4.671 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 5 -ATOM 6620 C C . GLU A 1 17 ? -8.870 -4.131 -4.738 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 5 -ATOM 6621 O O . GLU A 1 17 ? -9.900 -3.796 -4.211 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 5 -ATOM 6622 C CB . GLU A 1 17 ? -7.378 -5.768 -3.577 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 5 -ATOM 6623 C CG . GLU A 1 17 ? -6.887 -7.196 -3.465 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 5 -ATOM 6624 C CD . GLU A 1 17 ? -8.008 -8.166 -3.212 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 5 -ATOM 6625 O OE1 . GLU A 1 17 ? -8.409 -8.351 -2.052 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 5 -ATOM 6626 O OE2 . GLU A 1 17 ? -8.532 -8.746 -4.161 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 5 -ATOM 6627 H H . GLU A 1 17 ? -6.925 -6.227 -5.981 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 5 -ATOM 6628 H HA . GLU A 1 17 ? -9.264 -6.205 -4.452 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 5 -ATOM 6629 H HB2 . GLU A 1 17 ? -6.532 -5.130 -3.787 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 5 -ATOM 6630 H HB3 . GLU A 1 17 ? -7.810 -5.481 -2.631 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 5 -ATOM 6631 H HG2 . GLU A 1 17 ? -6.413 -7.459 -4.399 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 5 -ATOM 6632 H HG3 . GLU A 1 17 ? -6.164 -7.260 -2.669 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 5 -ATOM 6633 N N . TRP A 1 18 ? -8.105 -3.307 -5.426 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 5 -ATOM 6634 C CA . TRP A 1 18 ? -8.396 -1.884 -5.607 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 5 -ATOM 6635 C C . TRP A 1 18 ? -9.742 -1.710 -6.337 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 5 -ATOM 6636 O O . TRP A 1 18 ? -10.547 -0.828 -6.008 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 5 -ATOM 6637 C CB . TRP A 1 18 ? -7.238 -1.258 -6.402 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 5 -ATOM 6638 C CG . TRP A 1 18 ? -7.261 0.222 -6.558 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 5 -ATOM 6639 C CD1 . TRP A 1 18 ? -7.585 0.921 -7.679 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 5 -ATOM 6640 C CD2 . TRP A 1 18 ? -6.911 1.189 -5.565 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 5 -ATOM 6641 N NE1 . TRP A 1 18 ? -7.463 2.266 -7.442 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 5 -ATOM 6642 C CE2 . TRP A 1 18 ? -7.051 2.456 -6.151 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 5 -ATOM 6643 C CE3 . TRP A 1 18 ? -6.495 1.105 -4.232 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 5 -ATOM 6644 C CZ2 . TRP A 1 18 ? -6.788 3.630 -5.457 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 5 -ATOM 6645 C CZ3 . TRP A 1 18 ? -6.237 2.271 -3.547 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 5 -ATOM 6646 C CH2 . TRP A 1 18 ? -6.383 3.516 -4.159 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 5 -ATOM 6647 H H . TRP A 1 18 ? -7.276 -3.655 -5.824 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 5 -ATOM 6648 H HA . TRP A 1 18 ? -8.454 -1.417 -4.634 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 5 -ATOM 6649 H HB2 . TRP A 1 18 ? -6.313 -1.496 -5.895 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 5 -ATOM 6650 H HB3 . TRP A 1 18 ? -7.219 -1.703 -7.386 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 5 -ATOM 6651 H HD1 . TRP A 1 18 ? -7.887 0.462 -8.609 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 5 -ATOM 6652 H HE1 . TRP A 1 18 ? -7.641 2.980 -8.089 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 5 -ATOM 6653 H HE3 . TRP A 1 18 ? -6.377 0.149 -3.742 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 5 -ATOM 6654 H HZ2 . TRP A 1 18 ? -6.894 4.602 -5.913 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 5 -ATOM 6655 H HZ3 . TRP A 1 18 ? -5.913 2.230 -2.518 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 5 -ATOM 6656 H HH2 . TRP A 1 18 ? -6.168 4.402 -3.580 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 5 -ATOM 6657 N N . ARG A 1 19 ? -9.991 -2.578 -7.296 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 5 -ATOM 6658 C CA . ARG A 1 19 ? -11.247 -2.578 -8.026 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 5 -ATOM 6659 C C . ARG A 1 19 ? -12.376 -3.117 -7.154 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 5 -ATOM 6660 O O . ARG A 1 19 ? -13.491 -2.611 -7.189 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 5 -ATOM 6661 C CB . ARG A 1 19 ? -11.119 -3.417 -9.289 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 5 -ATOM 6662 C CG . ARG A 1 19 ? -10.232 -2.805 -10.355 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 5 -ATOM 6663 C CD . ARG A 1 19 ? -9.965 -3.784 -11.486 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 5 -ATOM 6664 N NE . ARG A 1 19 ? -11.199 -4.354 -12.049 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 5 -ATOM 6665 C CZ . ARG A 1 19 ? -11.573 -4.286 -13.335 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 5 -ATOM 6666 N NH1 . ARG A 1 19 ? -10.914 -3.502 -14.191 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 5 -ATOM 6667 N NH2 . ARG A 1 19 ? -12.631 -4.968 -13.753 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 5 -ATOM 6668 H H . ARG A 1 19 ? -9.295 -3.235 -7.523 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 5 -ATOM 6669 H HA . ARG A 1 19 ? -11.473 -1.559 -8.306 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 5 -ATOM 6670 H HB2 . ARG A 1 19 ? -10.703 -4.376 -9.017 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 5 -ATOM 6671 H HB3 . ARG A 1 19 ? -12.104 -3.566 -9.708 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 5 -ATOM 6672 H HG2 . ARG A 1 19 ? -10.722 -1.932 -10.760 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 5 -ATOM 6673 H HG3 . ARG A 1 19 ? -9.292 -2.519 -9.908 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 5 -ATOM 6674 H HD2 . ARG A 1 19 ? -9.421 -3.279 -12.269 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 5 -ATOM 6675 H HD3 . ARG A 1 19 ? -9.360 -4.589 -11.096 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 5 -ATOM 6676 H HE . ARG A 1 19 ? -11.729 -4.876 -11.399 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 5 -ATOM 6677 H HH11 . ARG A 1 19 ? -10.137 -2.941 -13.903 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 5 -ATOM 6678 H HH12 . ARG A 1 19 ? -11.164 -3.442 -15.162 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 5 -ATOM 6679 H HH21 . ARG A 1 19 ? -13.176 -5.539 -13.134 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 5 -ATOM 6680 H HH22 . ARG A 1 19 ? -12.929 -4.953 -14.710 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 5 -ATOM 6681 N N . LYS A 1 20 ? -12.061 -4.116 -6.359 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 5 -ATOM 6682 C CA . LYS A 1 20 ? -13.017 -4.769 -5.462 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 5 -ATOM 6683 C C . LYS A 1 20 ? -13.326 -3.878 -4.229 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 5 -ATOM 6684 O O . LYS A 1 20 ? -14.312 -4.089 -3.500 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 5 -ATOM 6685 C CB . LYS A 1 20 ? -12.457 -6.184 -5.109 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 5 -ATOM 6686 C CG . LYS A 1 20 ? -13.258 -7.066 -4.137 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 5 -ATOM 6687 C CD . LYS A 1 20 ? -12.938 -6.782 -2.665 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 5 -ATOM 6688 C CE . LYS A 1 20 ? -11.473 -7.084 -2.317 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 5 -ATOM 6689 N NZ . LYS A 1 20 ? -11.094 -8.496 -2.579 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 5 -ATOM 6690 H H . LYS A 1 20 ? -11.137 -4.452 -6.384 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 5 -ATOM 6691 H HA . LYS A 1 20 ? -13.938 -4.888 -6.015 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 5 -ATOM 6692 H HB2 . LYS A 1 20 ? -12.370 -6.735 -6.034 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 5 -ATOM 6693 H HB3 . LYS A 1 20 ? -11.461 -6.051 -4.714 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 5 -ATOM 6694 H HG2 . LYS A 1 20 ? -14.310 -6.883 -4.296 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 5 -ATOM 6695 H HG3 . LYS A 1 20 ? -13.045 -8.103 -4.351 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 5 -ATOM 6696 H HD2 . LYS A 1 20 ? -13.134 -5.737 -2.469 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 5 -ATOM 6697 H HD3 . LYS A 1 20 ? -13.585 -7.385 -2.046 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 5 -ATOM 6698 H HE2 . LYS A 1 20 ? -10.820 -6.435 -2.881 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 5 -ATOM 6699 H HE3 . LYS A 1 20 ? -11.328 -6.880 -1.266 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 5 -ATOM 6700 H HZ1 . LYS A 1 20 ? -11.639 -9.156 -1.988 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 5 -ATOM 6701 H HZ2 . LYS A 1 20 ? -10.075 -8.614 -2.369 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 5 -ATOM 6702 H HZ3 . LYS A 1 20 ? -11.222 -8.738 -3.584 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 5 -ATOM 6703 N N . LEU A 1 21 ? -12.485 -2.901 -4.007 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 5 -ATOM 6704 C CA . LEU A 1 21 ? -12.695 -1.939 -2.958 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 5 -ATOM 6705 C C . LEU A 1 21 ? -13.762 -0.957 -3.351 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 5 -ATOM 6706 O O . LEU A 1 21 ? -13.946 -0.661 -4.543 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 5 -ATOM 6707 C CB . LEU A 1 21 ? -11.416 -1.170 -2.616 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 5 -ATOM 6708 C CG . LEU A 1 21 ? -10.753 -1.485 -1.269 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 5 -ATOM 6709 C CD1 . LEU A 1 21 ? -11.724 -1.311 -0.125 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 5 -ATOM 6710 C CD2 . LEU A 1 21 ? -10.123 -2.865 -1.246 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 5 -ATOM 6711 H H . LEU A 1 21 ? -11.679 -2.838 -4.563 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 5 -ATOM 6712 H HA . LEU A 1 21 ? -13.017 -2.479 -2.083 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 5 -ATOM 6713 H HB2 . LEU A 1 21 ? -10.694 -1.362 -3.395 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 5 -ATOM 6714 H HB3 . LEU A 1 21 ? -11.656 -0.117 -2.633 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 5 -ATOM 6715 H HG . LEU A 1 21 ? -9.983 -0.748 -1.112 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 5 -ATOM 6716 H HD11 . LEU A 1 21 ? -11.210 -1.480 0.810 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 5 -ATOM 6717 H HD12 . LEU A 1 21 ? -12.527 -2.026 -0.212 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 5 -ATOM 6718 H HD13 . LEU A 1 21 ? -12.121 -0.308 -0.139 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 5 -ATOM 6719 H HD21 . LEU A 1 21 ? -9.374 -2.929 -2.022 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 5 -ATOM 6720 H HD22 . LEU A 1 21 ? -10.885 -3.609 -1.418 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 5 -ATOM 6721 H HD23 . LEU A 1 21 ? -9.661 -3.038 -0.287 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 5 -ATOM 6722 N N . GLY A 1 22 ? -14.463 -0.468 -2.357 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 5 -ATOM 6723 C CA . GLY A 1 22 ? -15.466 0.520 -2.561 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 5 -ATOM 6724 C C . GLY A 1 22 ? -14.859 1.792 -3.077 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 5 -ATOM 6725 O O . GLY A 1 22 ? -13.786 2.193 -2.601 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 5 -ATOM 6726 H H . GLY A 1 22 ? -14.294 -0.789 -1.447 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 5 -ATOM 6727 H HA2 . GLY A 1 22 ? -16.233 0.160 -3.230 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 5 -ATOM 6728 H HA3 . GLY A 1 22 ? -15.872 0.717 -1.582 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 5 -ATOM 6729 N N . SER A 1 23 ? -15.531 2.424 -4.025 1.00 0.00 ? ? ? ? ? ? 20 SER A N 5 -ATOM 6730 C CA . SER A 1 23 ? -15.070 3.642 -4.672 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 5 -ATOM 6731 C C . SER A 1 23 ? -14.671 4.699 -3.642 1.00 0.00 ? ? ? ? ? ? 20 SER A C 5 -ATOM 6732 O O . SER A 1 23 ? -13.592 5.251 -3.701 1.00 0.00 ? ? ? ? ? ? 20 SER A O 5 -ATOM 6733 C CB . SER A 1 23 ? -16.185 4.169 -5.564 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 5 -ATOM 6734 O OG . SER A 1 23 ? -16.644 3.142 -6.438 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 5 -ATOM 6735 H H . SER A 1 23 ? -16.391 2.060 -4.324 1.00 0.00 ? ? ? ? ? ? 20 SER A H 5 -ATOM 6736 H HA . SER A 1 23 ? -14.218 3.402 -5.291 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 5 -ATOM 6737 H HB2 . SER A 1 23 ? -17.008 4.502 -4.949 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 5 -ATOM 6738 H HB3 . SER A 1 23 ? -15.817 4.993 -6.157 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 5 -ATOM 6739 H HG . SER A 1 23 ? -16.499 3.470 -7.336 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 5 -ATOM 6740 N N . THR A 1 24 ? -15.514 4.881 -2.664 1.00 0.00 ? ? ? ? ? ? 21 THR A N 5 -ATOM 6741 C CA . THR A 1 24 ? -15.319 5.858 -1.617 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 5 -ATOM 6742 C C . THR A 1 24 ? -14.061 5.543 -0.796 1.00 0.00 ? ? ? ? ? ? 21 THR A C 5 -ATOM 6743 O O . THR A 1 24 ? -13.248 6.427 -0.512 1.00 0.00 ? ? ? ? ? ? 21 THR A O 5 -ATOM 6744 C CB . THR A 1 24 ? -16.547 5.849 -0.706 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 5 -ATOM 6745 O OG1 . THR A 1 24 ? -17.718 6.058 -1.520 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 5 -ATOM 6746 C CG2 . THR A 1 24 ? -16.453 6.929 0.357 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 5 -ATOM 6747 H H . THR A 1 24 ? -16.313 4.316 -2.649 1.00 0.00 ? ? ? ? ? ? 21 THR A H 5 -ATOM 6748 H HA . THR A 1 24 ? -15.232 6.836 -2.064 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 5 -ATOM 6749 H HB . THR A 1 24 ? -16.618 4.878 -0.237 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 5 -ATOM 6750 H HG1 . THR A 1 24 ? -17.422 6.476 -2.341 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 5 -ATOM 6751 H HG21 . THR A 1 24 ? -15.582 6.758 0.973 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 5 -ATOM 6752 H HG22 . THR A 1 24 ? -17.339 6.925 0.973 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 5 -ATOM 6753 H HG23 . THR A 1 24 ? -16.355 7.883 -0.138 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 5 -ATOM 6754 N N . VAL A 1 25 ? -13.895 4.274 -0.480 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 5 -ATOM 6755 C CA . VAL A 1 25 ? -12.786 3.811 0.328 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 5 -ATOM 6756 C C . VAL A 1 25 ? -11.492 3.966 -0.443 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 5 -ATOM 6757 O O . VAL A 1 25 ? -10.508 4.510 0.068 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 5 -ATOM 6758 C CB . VAL A 1 25 ? -12.970 2.329 0.722 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 5 -ATOM 6759 C CG1 . VAL A 1 25 ? -11.811 1.843 1.569 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 5 -ATOM 6760 C CG2 . VAL A 1 25 ? -14.281 2.129 1.457 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 5 -ATOM 6761 H H . VAL A 1 25 ? -14.533 3.617 -0.831 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 5 -ATOM 6762 H HA . VAL A 1 25 ? -12.745 4.410 1.227 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 5 -ATOM 6763 H HB . VAL A 1 25 ? -12.996 1.744 -0.185 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 5 -ATOM 6764 H HG11 . VAL A 1 25 ? -11.751 2.438 2.468 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 5 -ATOM 6765 H HG12 . VAL A 1 25 ? -10.891 1.938 1.011 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 5 -ATOM 6766 H HG13 . VAL A 1 25 ? -11.966 0.808 1.837 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 5 -ATOM 6767 H HG21 . VAL A 1 25 ? -14.387 1.088 1.726 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 5 -ATOM 6768 H HG22 . VAL A 1 25 ? -15.102 2.423 0.820 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 5 -ATOM 6769 H HG23 . VAL A 1 25 ? -14.286 2.733 2.353 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 5 -ATOM 6770 N N . ARG A 1 26 ? -11.509 3.529 -1.685 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 5 -ATOM 6771 C CA . ARG A 1 26 ? -10.351 3.629 -2.523 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 5 -ATOM 6772 C C . ARG A 1 26 ? -9.999 5.071 -2.837 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 5 -ATOM 6773 O O . ARG A 1 26 ? -8.854 5.373 -3.032 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 5 -ATOM 6774 C CB . ARG A 1 26 ? -10.404 2.764 -3.771 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 5 -ATOM 6775 C CG . ARG A 1 26 ? -11.552 3.037 -4.695 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 5 -ATOM 6776 C CD . ARG A 1 26 ? -11.316 2.364 -6.015 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 5 -ATOM 6777 N NE . ARG A 1 26 ? -12.366 2.666 -6.985 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 5 -ATOM 6778 C CZ . ARG A 1 26 ? -13.079 1.757 -7.663 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 5 -ATOM 6779 N NH1 . ARG A 1 26 ? -12.982 0.456 -7.371 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 5 -ATOM 6780 N NH2 . ARG A 1 26 ? -13.908 2.157 -8.613 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 5 -ATOM 6781 H H . ARG A 1 26 ? -12.334 3.124 -2.039 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 5 -ATOM 6782 H HA . ARG A 1 26 ? -9.545 3.271 -1.898 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 5 -ATOM 6783 H HB2 . ARG A 1 26 ? -9.489 2.904 -4.328 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 5 -ATOM 6784 H HB3 . ARG A 1 26 ? -10.459 1.730 -3.459 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 5 -ATOM 6785 H HG2 . ARG A 1 26 ? -12.426 2.594 -4.239 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 5 -ATOM 6786 H HG3 . ARG A 1 26 ? -11.726 4.097 -4.817 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 5 -ATOM 6787 H HD2 . ARG A 1 26 ? -10.368 2.743 -6.372 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 5 -ATOM 6788 H HD3 . ARG A 1 26 ? -11.248 1.298 -5.864 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 5 -ATOM 6789 H HE . ARG A 1 26 ? -12.491 3.628 -7.152 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 5 -ATOM 6790 H HH11 . ARG A 1 26 ? -12.381 0.108 -6.644 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 5 -ATOM 6791 H HH12 . ARG A 1 26 ? -13.522 -0.232 -7.866 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 5 -ATOM 6792 H HH21 . ARG A 1 26 ? -14.028 3.123 -8.857 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 5 -ATOM 6793 H HH22 . ARG A 1 26 ? -14.466 1.507 -9.138 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 5 -ATOM 6794 N N . GLU A 1 27 ? -10.993 5.945 -2.965 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 5 -ATOM 6795 C CA . GLU A 1 27 ? -10.721 7.372 -3.147 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 5 -ATOM 6796 C C . GLU A 1 27 ? -9.949 7.934 -1.974 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 5 -ATOM 6797 O O . GLU A 1 27 ? -9.013 8.709 -2.164 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 5 -ATOM 6798 C CB . GLU A 1 27 ? -11.993 8.179 -3.368 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 5 -ATOM 6799 C CG . GLU A 1 27 ? -12.632 7.939 -4.709 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 5 -ATOM 6800 C CD . GLU A 1 27 ? -11.710 8.284 -5.842 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 5 -ATOM 6801 O OE1 . GLU A 1 27 ? -11.603 9.471 -6.198 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 5 -ATOM 6802 O OE2 . GLU A 1 27 ? -11.058 7.380 -6.394 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 5 -ATOM 6803 H H . GLU A 1 27 ? -11.927 5.635 -2.963 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 5 -ATOM 6804 H HA . GLU A 1 27 ? -10.097 7.460 -4.025 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 5 -ATOM 6805 H HB2 . GLU A 1 27 ? -12.707 7.918 -2.600 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 5 -ATOM 6806 H HB3 . GLU A 1 27 ? -11.755 9.229 -3.284 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 5 -ATOM 6807 H HG2 . GLU A 1 27 ? -12.889 6.894 -4.779 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 5 -ATOM 6808 H HG3 . GLU A 1 27 ? -13.525 8.540 -4.787 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 5 -ATOM 6809 N N . GLN A 1 28 ? -10.318 7.522 -0.768 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 5 -ATOM 6810 C CA . GLN A 1 28 ? -9.626 7.976 0.432 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 5 -ATOM 6811 C C . GLN A 1 28 ? -8.198 7.443 0.416 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 5 -ATOM 6812 O O . GLN A 1 28 ? -7.246 8.180 0.645 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 5 -ATOM 6813 C CB . GLN A 1 28 ? -10.329 7.494 1.707 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 5 -ATOM 6814 C CG . GLN A 1 28 ? -11.779 7.847 1.835 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 5 -ATOM 6815 C CD . GLN A 1 28 ? -12.051 9.305 1.735 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 5 -ATOM 6816 O OE1 . GLN A 1 28 ? -11.230 10.160 2.112 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 5 -ATOM 6817 N NE2 . GLN A 1 28 ? -13.176 9.614 1.211 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 5 -ATOM 6818 H H . GLN A 1 28 ? -11.073 6.896 -0.695 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 5 -ATOM 6819 H HA . GLN A 1 28 ? -9.602 9.055 0.417 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 5 -ATOM 6820 H HB2 . GLN A 1 28 ? -10.344 6.421 1.664 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 5 -ATOM 6821 H HB3 . GLN A 1 28 ? -9.802 7.839 2.584 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 5 -ATOM 6822 H HG2 . GLN A 1 28 ? -12.328 7.350 1.049 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 5 -ATOM 6823 H HG3 . GLN A 1 28 ? -12.136 7.493 2.789 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 5 -ATOM 6824 H HE21 . GLN A 1 28 ? -13.785 8.907 0.908 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 5 -ATOM 6825 H HE22 . GLN A 1 28 ? -13.395 10.561 1.144 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 5 -ATOM 6826 N N . LEU A 1 29 ? -8.069 6.162 0.112 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 5 -ATOM 6827 C CA . LEU A 1 29 ? -6.773 5.495 0.021 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 5 -ATOM 6828 C C . LEU A 1 29 ? -5.908 6.123 -1.069 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 5 -ATOM 6829 O O . LEU A 1 29 ? -4.714 6.308 -0.888 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 5 -ATOM 6830 C CB . LEU A 1 29 ? -6.971 4.005 -0.245 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 5 -ATOM 6831 C CG . LEU A 1 29 ? -7.660 3.212 0.875 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 5 -ATOM 6832 C CD1 . LEU A 1 29 ? -7.969 1.801 0.419 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 5 -ATOM 6833 C CD2 . LEU A 1 29 ? -6.789 3.179 2.125 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 5 -ATOM 6834 H H . LEU A 1 29 ? -8.884 5.637 -0.046 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 5 -ATOM 6835 H HA . LEU A 1 29 ? -6.271 5.617 0.970 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 5 -ATOM 6836 H HB2 . LEU A 1 29 ? -7.561 3.916 -1.145 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 5 -ATOM 6837 H HB3 . LEU A 1 29 ? -6.003 3.569 -0.432 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 5 -ATOM 6838 H HG . LEU A 1 29 ? -8.593 3.694 1.124 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 5 -ATOM 6839 H HD11 . LEU A 1 29 ? -8.440 1.259 1.227 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 5 -ATOM 6840 H HD12 . LEU A 1 29 ? -7.053 1.305 0.136 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 5 -ATOM 6841 H HD13 . LEU A 1 29 ? -8.639 1.833 -0.428 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 5 -ATOM 6842 H HD21 . LEU A 1 29 ? -7.278 2.588 2.886 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 5 -ATOM 6843 H HD22 . LEU A 1 29 ? -6.642 4.183 2.494 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 5 -ATOM 6844 H HD23 . LEU A 1 29 ? -5.832 2.737 1.888 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 5 -ATOM 6845 N N . LYS A 1 30 ? -6.535 6.449 -2.190 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 5 -ATOM 6846 C CA . LYS A 1 30 ? -5.879 7.126 -3.304 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 5 -ATOM 6847 C C . LYS A 1 30 ? -5.272 8.442 -2.837 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 5 -ATOM 6848 O O . LYS A 1 30 ? -4.131 8.744 -3.161 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 5 -ATOM 6849 C CB . LYS A 1 30 ? -6.901 7.427 -4.395 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 5 -ATOM 6850 C CG . LYS A 1 30 ? -6.322 8.104 -5.627 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 5 -ATOM 6851 C CD . LYS A 1 30 ? -7.412 8.670 -6.525 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 5 -ATOM 6852 C CE . LYS A 1 30 ? -8.058 9.906 -5.896 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 5 -ATOM 6853 N NZ . LYS A 1 30 ? -9.157 10.446 -6.723 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 5 -ATOM 6854 H H . LYS A 1 30 ? -7.473 6.175 -2.292 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 5 -ATOM 6855 H HA . LYS A 1 30 ? -5.109 6.485 -3.709 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 5 -ATOM 6856 H HB2 . LYS A 1 30 ? -7.346 6.491 -4.702 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 5 -ATOM 6857 H HB3 . LYS A 1 30 ? -7.674 8.052 -3.975 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 5 -ATOM 6858 H HG2 . LYS A 1 30 ? -5.698 8.917 -5.285 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 5 -ATOM 6859 H HG3 . LYS A 1 30 ? -5.730 7.389 -6.179 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 5 -ATOM 6860 H HD2 . LYS A 1 30 ? -6.977 8.946 -7.473 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 5 -ATOM 6861 H HD3 . LYS A 1 30 ? -8.171 7.916 -6.679 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 5 -ATOM 6862 H HE2 . LYS A 1 30 ? -8.451 9.646 -4.925 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 5 -ATOM 6863 H HE3 . LYS A 1 30 ? -7.295 10.663 -5.770 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 5 -ATOM 6864 H HZ1 . LYS A 1 30 ? -9.450 11.385 -6.389 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 5 -ATOM 6865 H HZ2 . LYS A 1 30 ? -10.017 9.856 -6.650 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 5 -ATOM 6866 H HZ3 . LYS A 1 30 ? -8.891 10.525 -7.725 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 5 -ATOM 6867 N N . LYS A 1 31 ? -6.041 9.202 -2.046 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 5 -ATOM 6868 C CA . LYS A 1 31 ? -5.566 10.476 -1.485 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 5 -ATOM 6869 C C . LYS A 1 31 ? -4.319 10.226 -0.679 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 5 -ATOM 6870 O O . LYS A 1 31 ? -3.345 10.963 -0.776 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 5 -ATOM 6871 C CB . LYS A 1 31 ? -6.589 11.089 -0.535 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 5 -ATOM 6872 C CG . LYS A 1 31 ? -7.937 11.429 -1.115 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 5 -ATOM 6873 C CD . LYS A 1 31 ? -8.851 11.905 0.001 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 5 -ATOM 6874 C CE . LYS A 1 31 ? -10.248 12.209 -0.487 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 5 -ATOM 6875 N NZ . LYS A 1 31 ? -11.136 12.563 0.638 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 5 -ATOM 6876 H H . LYS A 1 31 ? -6.952 8.889 -1.857 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 5 -ATOM 6877 H HA . LYS A 1 31 ? -5.361 11.166 -2.289 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 5 -ATOM 6878 H HB2 . LYS A 1 31 ? -6.751 10.400 0.279 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 5 -ATOM 6879 H HB3 . LYS A 1 31 ? -6.158 11.994 -0.131 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 5 -ATOM 6880 H HG2 . LYS A 1 31 ? -7.822 12.212 -1.851 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 5 -ATOM 6881 H HG3 . LYS A 1 31 ? -8.364 10.548 -1.572 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 5 -ATOM 6882 H HD2 . LYS A 1 31 ? -8.911 11.139 0.760 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 5 -ATOM 6883 H HD3 . LYS A 1 31 ? -8.428 12.799 0.434 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 5 -ATOM 6884 H HE2 . LYS A 1 31 ? -10.205 13.039 -1.178 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 5 -ATOM 6885 H HE3 . LYS A 1 31 ? -10.642 11.338 -0.988 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 5 -ATOM 6886 H HZ1 . LYS A 1 31 ? -11.225 11.779 1.319 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 5 -ATOM 6887 H HZ2 . LYS A 1 31 ? -12.094 12.790 0.304 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 5 -ATOM 6888 H HZ3 . LYS A 1 31 ? -10.790 13.395 1.155 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 5 -ATOM 6889 N N . LYS A 1 32 ? -4.364 9.158 0.103 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 5 -ATOM 6890 C CA . LYS A 1 32 ? -3.260 8.773 0.945 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 5 -ATOM 6891 C C . LYS A 1 32 ? -2.033 8.440 0.168 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 5 -ATOM 6892 O O . LYS A 1 32 ? -0.950 8.822 0.557 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 5 -ATOM 6893 C CB . LYS A 1 32 ? -3.621 7.665 1.938 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 5 -ATOM 6894 C CG . LYS A 1 32 ? -4.178 8.161 3.262 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 5 -ATOM 6895 C CD . LYS A 1 32 ? -5.444 8.968 3.107 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 5 -ATOM 6896 C CE . LYS A 1 32 ? -5.872 9.546 4.431 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 5 -ATOM 6897 N NZ . LYS A 1 32 ? -4.858 10.477 4.975 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 5 -ATOM 6898 H H . LYS A 1 32 ? -5.181 8.612 0.104 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 5 -ATOM 6899 H HA . LYS A 1 32 ? -3.020 9.659 1.503 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 5 -ATOM 6900 H HB2 . LYS A 1 32 ? -4.362 7.027 1.481 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 5 -ATOM 6901 H HB3 . LYS A 1 32 ? -2.735 7.080 2.136 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 5 -ATOM 6902 H HG2 . LYS A 1 32 ? -4.398 7.313 3.893 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 5 -ATOM 6903 H HG3 . LYS A 1 32 ? -3.429 8.775 3.739 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 5 -ATOM 6904 H HD2 . LYS A 1 32 ? -5.261 9.774 2.413 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 5 -ATOM 6905 H HD3 . LYS A 1 32 ? -6.229 8.332 2.725 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 5 -ATOM 6906 H HE2 . LYS A 1 32 ? -6.814 10.062 4.316 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 5 -ATOM 6907 H HE3 . LYS A 1 32 ? -5.981 8.716 5.116 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 5 -ATOM 6908 H HZ1 . LYS A 1 32 ? -4.004 9.951 5.250 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 5 -ATOM 6909 H HZ2 . LYS A 1 32 ? -5.202 10.935 5.842 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 5 -ATOM 6910 H HZ3 . LYS A 1 32 ? -4.570 11.198 4.277 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 5 -ATOM 6911 N N . LEU A 1 33 ? -2.204 7.761 -0.929 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 5 -ATOM 6912 C CA . LEU A 1 33 ? -1.096 7.425 -1.785 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 5 -ATOM 6913 C C . LEU A 1 33 ? -0.465 8.692 -2.328 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 5 -ATOM 6914 O O . LEU A 1 33 ? 0.743 8.870 -2.264 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 5 -ATOM 6915 C CB . LEU A 1 33 ? -1.561 6.529 -2.930 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 5 -ATOM 6916 C CG . LEU A 1 33 ? -2.193 5.205 -2.512 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 5 -ATOM 6917 C CD1 . LEU A 1 33 ? -2.631 4.414 -3.727 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 5 -ATOM 6918 C CD2 . LEU A 1 33 ? -1.230 4.400 -1.653 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 5 -ATOM 6919 H H . LEU A 1 33 ? -3.112 7.465 -1.160 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 5 -ATOM 6920 H HA . LEU A 1 33 ? -0.367 6.890 -1.194 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 5 -ATOM 6921 H HB2 . LEU A 1 33 ? -2.283 7.080 -3.516 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 5 -ATOM 6922 H HB3 . LEU A 1 33 ? -0.711 6.312 -3.557 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 5 -ATOM 6923 H HG . LEU A 1 33 ? -3.075 5.414 -1.925 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 5 -ATOM 6924 H HD11 . LEU A 1 33 ? -1.778 4.222 -4.359 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 5 -ATOM 6925 H HD12 . LEU A 1 33 ? -3.366 4.978 -4.282 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 5 -ATOM 6926 H HD13 . LEU A 1 33 ? -3.064 3.477 -3.414 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 5 -ATOM 6927 H HD21 . LEU A 1 33 ? -0.307 4.236 -2.189 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 5 -ATOM 6928 H HD22 . LEU A 1 33 ? -1.677 3.445 -1.420 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 5 -ATOM 6929 H HD23 . LEU A 1 33 ? -1.028 4.935 -0.737 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 5 -ATOM 6930 N N . VAL A 1 34 ? -1.305 9.595 -2.783 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 5 -ATOM 6931 C CA . VAL A 1 34 ? -0.855 10.835 -3.371 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 5 -ATOM 6932 C C . VAL A 1 34 ? -0.122 11.710 -2.344 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 5 -ATOM 6933 O O . VAL A 1 34 ? 0.959 12.240 -2.634 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 5 -ATOM 6934 C CB . VAL A 1 34 ? -2.043 11.615 -4.000 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 5 -ATOM 6935 C CG1 . VAL A 1 34 ? -1.581 12.914 -4.618 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 5 -ATOM 6936 C CG2 . VAL A 1 34 ? -2.734 10.757 -5.036 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 5 -ATOM 6937 H H . VAL A 1 34 ? -2.270 9.415 -2.712 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 5 -ATOM 6938 H HA . VAL A 1 34 ? -0.157 10.588 -4.158 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 5 -ATOM 6939 H HB . VAL A 1 34 ? -2.765 11.844 -3.227 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 5 -ATOM 6940 H HG11 . VAL A 1 34 ? -2.421 13.416 -5.072 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 5 -ATOM 6941 H HG12 . VAL A 1 34 ? -0.822 12.716 -5.360 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 5 -ATOM 6942 H HG13 . VAL A 1 34 ? -1.174 13.536 -3.833 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 5 -ATOM 6943 H HG21 . VAL A 1 34 ? -2.039 10.492 -5.817 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 5 -ATOM 6944 H HG22 . VAL A 1 34 ? -3.576 11.295 -5.444 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 5 -ATOM 6945 H HG23 . VAL A 1 34 ? -3.080 9.864 -4.534 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 5 -ATOM 6946 N N . GLU A 1 35 ? -0.681 11.834 -1.147 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 5 -ATOM 6947 C CA . GLU A 1 35 ? -0.048 12.633 -0.106 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 5 -ATOM 6948 C C . GLU A 1 35 ? 1.252 11.979 0.400 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 5 -ATOM 6949 O O . GLU A 1 35 ? 2.306 12.642 0.491 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 5 -ATOM 6950 C CB . GLU A 1 35 ? -1.012 12.954 1.068 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 5 -ATOM 6951 C CG . GLU A 1 35 ? -1.586 11.742 1.774 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 5 -ATOM 6952 C CD . GLU A 1 35 ? -2.309 12.068 3.058 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 5 -ATOM 6953 O OE1 . GLU A 1 35 ? -1.630 12.295 4.085 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 5 -ATOM 6954 O OE2 . GLU A 1 35 ? -3.564 12.098 3.082 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 5 -ATOM 6955 H H . GLU A 1 35 ? -1.543 11.392 -0.967 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 5 -ATOM 6956 H HA . GLU A 1 35 ? 0.235 13.561 -0.583 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 5 -ATOM 6957 H HB2 . GLU A 1 35 ? -0.492 13.545 1.805 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 5 -ATOM 6958 H HB3 . GLU A 1 35 ? -1.835 13.534 0.677 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 5 -ATOM 6959 H HG2 . GLU A 1 35 ? -2.296 11.314 1.084 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 5 -ATOM 6960 H HG3 . GLU A 1 35 ? -0.793 11.034 1.969 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 5 -ATOM 6961 N N . VAL A 1 36 ? 1.195 10.663 0.622 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 5 -ATOM 6962 C CA . VAL A 1 36 ? 2.280 9.907 1.228 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 5 -ATOM 6963 C C . VAL A 1 36 ? 3.546 9.948 0.386 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 5 -ATOM 6964 O O . VAL A 1 36 ? 4.631 9.905 0.917 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 5 -ATOM 6965 C CB . VAL A 1 36 ? 1.901 8.435 1.597 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 5 -ATOM 6966 C CG1 . VAL A 1 36 ? 1.928 7.490 0.398 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 5 -ATOM 6967 C CG2 . VAL A 1 36 ? 2.768 7.927 2.724 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 5 -ATOM 6968 H H . VAL A 1 36 ? 0.380 10.170 0.372 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 5 -ATOM 6969 H HA . VAL A 1 36 ? 2.513 10.433 2.145 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 5 -ATOM 6970 H HB . VAL A 1 36 ? 0.881 8.458 1.951 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 5 -ATOM 6971 H HG11 . VAL A 1 36 ? 1.251 7.860 -0.358 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 5 -ATOM 6972 H HG12 . VAL A 1 36 ? 1.625 6.499 0.702 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 5 -ATOM 6973 H HG13 . VAL A 1 36 ? 2.928 7.454 -0.009 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 5 -ATOM 6974 H HG21 . VAL A 1 36 ? 3.795 8.023 2.413 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 5 -ATOM 6975 H HG22 . VAL A 1 36 ? 2.542 6.889 2.919 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 5 -ATOM 6976 H HG23 . VAL A 1 36 ? 2.602 8.511 3.615 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 5 -ATOM 6977 N N . LEU A 1 37 ? 3.384 10.070 -0.927 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 5 -ATOM 6978 C CA . LEU A 1 37 ? 4.495 10.063 -1.878 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 5 -ATOM 6979 C C . LEU A 1 37 ? 5.605 11.075 -1.562 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 5 -ATOM 6980 O O . LEU A 1 37 ? 6.740 10.865 -1.984 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 5 -ATOM 6981 C CB . LEU A 1 37 ? 3.999 10.269 -3.313 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 5 -ATOM 6982 C CG . LEU A 1 37 ? 3.160 9.140 -3.903 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 5 -ATOM 6983 C CD1 . LEU A 1 37 ? 2.696 9.488 -5.303 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 5 -ATOM 6984 C CD2 . LEU A 1 37 ? 3.940 7.832 -3.905 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 5 -ATOM 6985 H H . LEU A 1 37 ? 2.467 10.127 -1.274 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 5 -ATOM 6986 H HA . LEU A 1 37 ? 4.939 9.081 -1.827 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 5 -ATOM 6987 H HB2 . LEU A 1 37 ? 3.404 11.169 -3.330 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 5 -ATOM 6988 H HB3 . LEU A 1 37 ? 4.855 10.419 -3.954 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 5 -ATOM 6989 H HG . LEU A 1 37 ? 2.281 9.005 -3.290 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 5 -ATOM 6990 H HD11 . LEU A 1 37 ? 2.112 10.396 -5.272 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 5 -ATOM 6991 H HD12 . LEU A 1 37 ? 2.090 8.685 -5.692 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 5 -ATOM 6992 H HD13 . LEU A 1 37 ? 3.556 9.634 -5.938 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 5 -ATOM 6993 H HD21 . LEU A 1 37 ? 4.873 7.973 -4.427 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 5 -ATOM 6994 H HD22 . LEU A 1 37 ? 3.364 7.081 -4.424 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 5 -ATOM 6995 H HD23 . LEU A 1 37 ? 4.130 7.506 -2.893 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 5 -ATOM 6996 N N . GLU A 1 38 ? 5.305 12.172 -0.851 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 5 -ATOM 6997 C CA . GLU A 1 38 ? 6.378 13.111 -0.511 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 5 -ATOM 6998 C C . GLU A 1 38 ? 7.287 12.559 0.607 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 5 -ATOM 6999 O O . GLU A 1 38 ? 8.434 12.966 0.730 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 5 -ATOM 7000 C CB . GLU A 1 38 ? 5.863 14.519 -0.167 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 5 -ATOM 7001 C CG . GLU A 1 38 ? 4.977 14.622 1.064 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 5 -ATOM 7002 C CD . GLU A 1 38 ? 4.495 16.036 1.291 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 5 -ATOM 7003 O OE1 . GLU A 1 38 ? 5.216 16.832 1.928 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 5 -ATOM 7004 O OE2 . GLU A 1 38 ? 3.392 16.389 0.813 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 5 -ATOM 7005 H H . GLU A 1 38 ? 4.381 12.329 -0.555 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 5 -ATOM 7006 H HA . GLU A 1 38 ? 6.994 13.170 -1.397 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 5 -ATOM 7007 H HB2 . GLU A 1 38 ? 6.715 15.165 -0.012 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 5 -ATOM 7008 H HB3 . GLU A 1 38 ? 5.309 14.895 -1.014 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 5 -ATOM 7009 H HG2 . GLU A 1 38 ? 4.118 13.976 0.938 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 5 -ATOM 7010 H HG3 . GLU A 1 38 ? 5.543 14.307 1.929 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 5 -ATOM 7011 N N . SER A 1 39 ? 6.771 11.620 1.391 1.00 0.00 ? ? ? ? ? ? 36 SER A N 5 -ATOM 7012 C CA . SER A 1 39 ? 7.532 10.986 2.458 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 5 -ATOM 7013 C C . SER A 1 39 ? 6.850 9.691 2.954 1.00 0.00 ? ? ? ? ? ? 36 SER A C 5 -ATOM 7014 O O . SER A 1 39 ? 6.113 9.694 3.935 1.00 0.00 ? ? ? ? ? ? 36 SER A O 5 -ATOM 7015 C CB . SER A 1 39 ? 7.839 11.975 3.609 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 5 -ATOM 7016 O OG . SER A 1 39 ? 6.679 12.719 3.983 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 5 -ATOM 7017 H H . SER A 1 39 ? 5.858 11.293 1.224 1.00 0.00 ? ? ? ? ? ? 36 SER A H 5 -ATOM 7018 H HA . SER A 1 39 ? 8.466 10.680 2.008 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 5 -ATOM 7019 H HB2 . SER A 1 39 ? 8.185 11.426 4.472 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 5 -ATOM 7020 H HB3 . SER A 1 39 ? 8.608 12.665 3.293 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 5 -ATOM 7021 H HG . SER A 1 39 ? 6.076 12.690 3.234 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 5 -ATOM 7022 N N . PRO A 1 40 ? 7.005 8.580 2.200 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 5 -ATOM 7023 C CA . PRO A 1 40 ? 6.419 7.291 2.573 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 5 -ATOM 7024 C C . PRO A 1 40 ? 7.306 6.492 3.519 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 5 -ATOM 7025 O O . PRO A 1 40 ? 6.878 5.514 4.101 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 5 -ATOM 7026 C CB . PRO A 1 40 ? 6.284 6.579 1.230 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 5 -ATOM 7027 C CG . PRO A 1 40 ? 7.435 7.088 0.430 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 5 -ATOM 7028 C CD . PRO A 1 40 ? 7.668 8.512 0.877 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 5 -ATOM 7029 H HA . PRO A 1 40 ? 5.450 7.397 3.032 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 5 -ATOM 7030 H HB2 . PRO A 1 40 ? 6.339 5.509 1.378 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 5 -ATOM 7031 H HB3 . PRO A 1 40 ? 5.341 6.837 0.770 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 5 -ATOM 7032 H HG2 . PRO A 1 40 ? 8.309 6.486 0.630 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 5 -ATOM 7033 H HG3 . PRO A 1 40 ? 7.196 7.058 -0.623 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 5 -ATOM 7034 H HD2 . PRO A 1 40 ? 8.724 8.721 0.962 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 5 -ATOM 7035 H HD3 . PRO A 1 40 ? 7.196 9.195 0.186 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 5 -ATOM 7036 N N . ARG A 1 41 ? 8.524 6.953 3.708 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 5 -ATOM 7037 C CA . ARG A 1 41 ? 9.492 6.263 4.550 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 5 -ATOM 7038 C C . ARG A 1 41 ? 9.335 6.597 6.040 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 5 -ATOM 7039 O O . ARG A 1 41 ? 10.304 6.603 6.809 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 5 -ATOM 7040 C CB . ARG A 1 41 ? 10.933 6.474 4.013 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 5 -ATOM 7041 C CG . ARG A 1 41 ? 11.368 7.914 3.700 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 5 -ATOM 7042 C CD . ARG A 1 41 ? 11.609 8.762 4.938 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 5 -ATOM 7043 N NE . ARG A 1 41 ? 12.145 10.083 4.593 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 5 -ATOM 7044 C CZ . ARG A 1 41 ? 13.135 10.714 5.252 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 5 -ATOM 7045 N NH1 . ARG A 1 41 ? 13.750 10.124 6.275 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 5 -ATOM 7046 N NH2 . ARG A 1 41 ? 13.523 11.918 4.864 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 5 -ATOM 7047 H H . ARG A 1 41 ? 8.765 7.788 3.258 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 5 -ATOM 7048 H HA . ARG A 1 41 ? 9.253 5.214 4.454 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 5 -ATOM 7049 H HB2 . ARG A 1 41 ? 11.625 6.083 4.744 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 5 -ATOM 7050 H HB3 . ARG A 1 41 ? 11.035 5.889 3.111 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 5 -ATOM 7051 H HG2 . ARG A 1 41 ? 12.277 7.887 3.120 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 5 -ATOM 7052 H HG3 . ARG A 1 41 ? 10.594 8.375 3.105 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 5 -ATOM 7053 H HD2 . ARG A 1 41 ? 10.669 8.885 5.454 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 5 -ATOM 7054 H HD3 . ARG A 1 41 ? 12.305 8.250 5.583 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 5 -ATOM 7055 H HE . ARG A 1 41 ? 11.722 10.501 3.807 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 5 -ATOM 7056 H HH11 . ARG A 1 41 ? 13.509 9.202 6.592 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 5 -ATOM 7057 H HH12 . ARG A 1 41 ? 14.495 10.584 6.770 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 5 -ATOM 7058 H HH21 . ARG A 1 41 ? 13.110 12.395 4.086 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 5 -ATOM 7059 H HH22 . ARG A 1 41 ? 14.261 12.407 5.339 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 5 -ATOM 7060 N N . ILE A 1 42 ? 8.104 6.806 6.446 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 5 -ATOM 7061 C CA . ILE A 1 42 ? 7.790 7.106 7.814 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 5 -ATOM 7062 C C . ILE A 1 42 ? 7.698 5.810 8.600 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 5 -ATOM 7063 O O . ILE A 1 42 ? 6.763 5.018 8.443 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 5 -ATOM 7064 C CB . ILE A 1 42 ? 6.489 7.945 7.949 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 5 -ATOM 7065 C CG1 . ILE A 1 42 ? 6.687 9.291 7.236 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 5 -ATOM 7066 C CG2 . ILE A 1 42 ? 6.121 8.157 9.423 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 5 -ATOM 7067 C CD1 . ILE A 1 42 ? 5.480 10.200 7.260 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 5 -ATOM 7068 H H . ILE A 1 42 ? 7.380 6.704 5.793 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 5 -ATOM 7069 H HA . ILE A 1 42 ? 8.620 7.675 8.207 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 5 -ATOM 7070 H HB . ILE A 1 42 ? 5.683 7.412 7.465 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 5 -ATOM 7071 H HG12 . ILE A 1 42 ? 7.498 9.815 7.718 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 5 -ATOM 7072 H HG13 . ILE A 1 42 ? 6.952 9.107 6.206 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 5 -ATOM 7073 H HG21 . ILE A 1 42 ? 6.922 8.677 9.926 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 5 -ATOM 7074 H HG22 . ILE A 1 42 ? 5.964 7.197 9.895 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 5 -ATOM 7075 H HG23 . ILE A 1 42 ? 5.216 8.742 9.485 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 5 -ATOM 7076 H HD11 . ILE A 1 42 ? 5.702 11.106 6.717 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 5 -ATOM 7077 H HD12 . ILE A 1 42 ? 5.226 10.442 8.281 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 5 -ATOM 7078 H HD13 . ILE A 1 42 ? 4.649 9.695 6.792 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 5 -ATOM 7079 N N . GLU A 1 43 ? 8.665 5.643 9.454 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 5 -ATOM 7080 C CA . GLU A 1 43 ? 8.897 4.462 10.270 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 5 -ATOM 7081 C C . GLU A 1 43 ? 7.687 4.065 11.118 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 5 -ATOM 7082 O O . GLU A 1 43 ? 7.465 2.879 11.381 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 5 -ATOM 7083 C CB . GLU A 1 43 ? 10.157 4.652 11.153 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 5 -ATOM 7084 C CG . GLU A 1 43 ? 10.180 5.927 12.027 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 5 -ATOM 7085 C CD . GLU A 1 43 ? 10.334 7.222 11.238 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 5 -ATOM 7086 O OE1 . GLU A 1 43 ? 11.463 7.562 10.844 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 5 -ATOM 7087 O OE2 . GLU A 1 43 ? 9.318 7.897 10.971 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 5 -ATOM 7088 H H . GLU A 1 43 ? 9.278 6.404 9.561 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 5 -ATOM 7089 H HA . GLU A 1 43 ? 9.097 3.650 9.590 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 5 -ATOM 7090 H HB2 . GLU A 1 43 ? 10.241 3.803 11.815 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 5 -ATOM 7091 H HB3 . GLU A 1 43 ? 11.025 4.672 10.509 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 5 -ATOM 7092 H HG2 . GLU A 1 43 ? 9.235 5.975 12.548 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 5 -ATOM 7093 H HG3 . GLU A 1 43 ? 10.985 5.849 12.741 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 5 -ATOM 7094 N N . ALA A 1 44 ? 6.885 5.037 11.492 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 5 -ATOM 7095 C CA . ALA A 1 44 ? 5.689 4.795 12.287 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 5 -ATOM 7096 C C . ALA A 1 44 ? 4.619 4.050 11.482 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 5 -ATOM 7097 O O . ALA A 1 44 ? 3.650 3.524 12.037 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 5 -ATOM 7098 C CB . ALA A 1 44 ? 5.133 6.101 12.804 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 5 -ATOM 7099 H H . ALA A 1 44 ? 7.122 5.954 11.237 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 5 -ATOM 7100 H HA . ALA A 1 44 ? 5.975 4.187 13.133 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 5 -ATOM 7101 H HB1 . ALA A 1 44 ? 4.262 5.896 13.408 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 5 -ATOM 7102 H HB2 . ALA A 1 44 ? 4.859 6.734 11.973 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 5 -ATOM 7103 H HB3 . ALA A 1 44 ? 5.881 6.593 13.407 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 5 -ATOM 7104 N N . ASN A 1 45 ? 4.792 3.992 10.179 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 5 -ATOM 7105 C CA . ASN A 1 45 ? 3.841 3.319 9.326 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 5 -ATOM 7106 C C . ASN A 1 45 ? 4.423 2.071 8.730 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 5 -ATOM 7107 O O . ASN A 1 45 ? 3.796 1.444 7.906 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 5 -ATOM 7108 C CB . ASN A 1 45 ? 3.294 4.232 8.211 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 5 -ATOM 7109 C CG . ASN A 1 45 ? 2.456 5.376 8.735 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 5 -ATOM 7110 O OD1 . ASN A 1 45 ? 1.251 5.239 8.944 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 5 -ATOM 7111 N ND2 . ASN A 1 45 ? 3.064 6.519 8.914 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 5 -ATOM 7112 H H . ASN A 1 45 ? 5.585 4.407 9.769 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 5 -ATOM 7113 H HA . ASN A 1 45 ? 3.012 3.014 9.947 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 5 -ATOM 7114 H HB2 . ASN A 1 45 ? 4.124 4.650 7.662 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 5 -ATOM 7115 H HB3 . ASN A 1 45 ? 2.688 3.641 7.539 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 5 -ATOM 7116 H HD21 . ASN A 1 45 ? 4.017 6.589 8.701 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 5 -ATOM 7117 H HD22 . ASN A 1 45 ? 2.533 7.265 9.266 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 5 -ATOM 7118 N N . LYS A 1 46 ? 5.594 1.667 9.162 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 5 -ATOM 7119 C CA . LYS A 1 46 ? 6.164 0.467 8.609 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 5 -ATOM 7120 C C . LYS A 1 46 ? 5.740 -0.744 9.393 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 5 -ATOM 7121 O O . LYS A 1 46 ? 5.416 -0.642 10.581 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 5 -ATOM 7122 C CB . LYS A 1 46 ? 7.681 0.541 8.369 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 5 -ATOM 7123 C CG . LYS A 1 46 ? 8.589 0.417 9.567 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 5 -ATOM 7124 C CD . LYS A 1 46 ? 10.028 0.789 9.185 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 5 -ATOM 7125 C CE . LYS A 1 46 ? 10.562 -0.033 8.000 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 5 -ATOM 7126 N NZ . LYS A 1 46 ? 11.901 0.427 7.570 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 5 -ATOM 7127 H H . LYS A 1 46 ? 6.067 2.160 9.868 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 5 -ATOM 7128 H HA . LYS A 1 46 ? 5.673 0.365 7.655 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 5 -ATOM 7129 H HB2 . LYS A 1 46 ? 7.940 -0.256 7.690 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 5 -ATOM 7130 H HB3 . LYS A 1 46 ? 7.885 1.481 7.878 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 5 -ATOM 7131 H HG2 . LYS A 1 46 ? 8.237 1.063 10.358 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 5 -ATOM 7132 H HG3 . LYS A 1 46 ? 8.571 -0.615 9.883 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 5 -ATOM 7133 H HD2 . LYS A 1 46 ? 10.052 1.834 8.914 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 5 -ATOM 7134 H HD3 . LYS A 1 46 ? 10.665 0.630 10.042 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 5 -ATOM 7135 H HE2 . LYS A 1 46 ? 10.620 -1.073 8.280 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 5 -ATOM 7136 H HE3 . LYS A 1 46 ? 9.880 0.072 7.169 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 5 -ATOM 7137 H HZ1 . LYS A 1 46 ? 12.631 0.219 8.281 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 5 -ATOM 7138 H HZ2 . LYS A 1 46 ? 11.891 1.463 7.472 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 5 -ATOM 7139 H HZ3 . LYS A 1 46 ? 12.198 0.036 6.648 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 5 -ATOM 7140 N N . LEU A 1 47 ? 5.605 -1.842 8.706 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 5 -ATOM 7141 C CA . LEU A 1 47 ? 5.208 -3.095 9.306 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 5 -ATOM 7142 C C . LEU A 1 47 ? 6.322 -3.638 10.191 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 5 -ATOM 7143 O O . LEU A 1 47 ? 7.495 -3.312 9.989 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 5 -ATOM 7144 C CB . LEU A 1 47 ? 4.825 -4.100 8.225 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 5 -ATOM 7145 C CG . LEU A 1 47 ? 3.601 -3.736 7.376 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 5 -ATOM 7146 C CD1 . LEU A 1 47 ? 3.393 -4.750 6.289 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 5 -ATOM 7147 C CD2 . LEU A 1 47 ? 2.365 -3.678 8.229 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 5 -ATOM 7148 H H . LEU A 1 47 ? 5.811 -1.811 7.743 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 5 -ATOM 7149 H HA . LEU A 1 47 ? 4.346 -2.893 9.922 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 5 -ATOM 7150 H HB2 . LEU A 1 47 ? 5.672 -4.173 7.561 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 5 -ATOM 7151 H HB3 . LEU A 1 47 ? 4.654 -5.061 8.686 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 5 -ATOM 7152 H HG . LEU A 1 47 ? 3.743 -2.767 6.922 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 5 -ATOM 7153 H HD11 . LEU A 1 47 ? 4.250 -4.773 5.633 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 5 -ATOM 7154 H HD12 . LEU A 1 47 ? 2.508 -4.470 5.739 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 5 -ATOM 7155 H HD13 . LEU A 1 47 ? 3.240 -5.721 6.737 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 5 -ATOM 7156 H HD21 . LEU A 1 47 ? 2.502 -2.958 9.020 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 5 -ATOM 7157 H HD22 . LEU A 1 47 ? 2.176 -4.654 8.653 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 5 -ATOM 7158 H HD23 . LEU A 1 47 ? 1.527 -3.383 7.616 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 5 -ATOM 7159 N N . ARG A 1 48 ? 5.945 -4.457 11.150 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 5 -ATOM 7160 C CA . ARG A 1 48 ? 6.846 -4.977 12.153 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 5 -ATOM 7161 C C . ARG A 1 48 ? 8.024 -5.792 11.601 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 5 -ATOM 7162 O O . ARG A 1 48 ? 9.166 -5.460 11.871 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 5 -ATOM 7163 C CB . ARG A 1 48 ? 6.072 -5.729 13.245 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 5 -ATOM 7164 C CG . ARG A 1 48 ? 5.175 -6.862 12.759 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 5 -ATOM 7165 C CD . ARG A 1 48 ? 4.447 -7.514 13.920 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 5 -ATOM 7166 N NE . ARG A 1 48 ? 5.379 -8.129 14.874 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 5 -ATOM 7167 C CZ . ARG A 1 48 ? 5.162 -8.278 16.194 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 5 -ATOM 7168 N NH1 . ARG A 1 48 ? 4.054 -7.798 16.757 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 5 -ATOM 7169 N NH2 . ARG A 1 48 ? 6.064 -8.887 16.946 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 5 -ATOM 7170 H H . ARG A 1 48 ? 5.001 -4.714 11.206 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 5 -ATOM 7171 H HA . ARG A 1 48 ? 7.283 -4.108 12.621 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 5 -ATOM 7172 H HB2 . ARG A 1 48 ? 6.791 -6.153 13.926 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 5 -ATOM 7173 H HB3 . ARG A 1 48 ? 5.462 -5.020 13.786 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 5 -ATOM 7174 H HG2 . ARG A 1 48 ? 4.449 -6.473 12.060 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 5 -ATOM 7175 H HG3 . ARG A 1 48 ? 5.787 -7.603 12.266 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 5 -ATOM 7176 H HD2 . ARG A 1 48 ? 3.868 -6.760 14.433 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 5 -ATOM 7177 H HD3 . ARG A 1 48 ? 3.786 -8.275 13.534 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 5 -ATOM 7178 H HE . ARG A 1 48 ? 6.210 -8.470 14.468 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 5 -ATOM 7179 H HH11 . ARG A 1 48 ? 3.354 -7.311 16.233 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 5 -ATOM 7180 H HH12 . ARG A 1 48 ? 3.874 -7.922 17.739 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 5 -ATOM 7181 H HH21 . ARG A 1 48 ? 6.923 -9.252 16.577 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 5 -ATOM 7182 H HH22 . ARG A 1 48 ? 5.928 -9.029 17.929 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 5 -ATOM 7183 N N . GLY A 1 49 ? 7.768 -6.817 10.821 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 5 -ATOM 7184 C CA . GLY A 1 49 ? 8.866 -7.636 10.364 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 5 -ATOM 7185 C C . GLY A 1 49 ? 8.953 -7.719 8.868 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 5 -ATOM 7186 O O . GLY A 1 49 ? 9.547 -8.649 8.327 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 5 -ATOM 7187 H H . GLY A 1 49 ? 6.856 -7.048 10.545 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 5 -ATOM 7188 H HA2 . GLY A 1 49 ? 9.788 -7.217 10.740 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 5 -ATOM 7189 H HA3 . GLY A 1 49 ? 8.749 -8.631 10.766 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 5 -ATOM 7190 N N . MET A 1 50 ? 8.403 -6.749 8.191 1.00 0.00 ? ? ? ? ? ? 47 MET A N 5 -ATOM 7191 C CA . MET A 1 50 ? 8.387 -6.766 6.732 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 5 -ATOM 7192 C C . MET A 1 50 ? 9.448 -5.840 6.176 1.00 0.00 ? ? ? ? ? ? 47 MET A C 5 -ATOM 7193 O O . MET A 1 50 ? 9.547 -4.687 6.617 1.00 0.00 ? ? ? ? ? ? 47 MET A O 5 -ATOM 7194 C CB . MET A 1 50 ? 7.026 -6.356 6.190 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 5 -ATOM 7195 C CG . MET A 1 50 ? 5.900 -7.328 6.490 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 5 -ATOM 7196 S SD . MET A 1 50 ? 6.080 -8.914 5.648 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 5 -ATOM 7197 C CE . MET A 1 50 ? 5.958 -8.390 3.938 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 5 -ATOM 7198 H H . MET A 1 50 ? 8.042 -5.982 8.682 1.00 0.00 ? ? ? ? ? ? 47 MET A H 5 -ATOM 7199 H HA . MET A 1 50 ? 8.598 -7.778 6.421 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 5 -ATOM 7200 H HB2 . MET A 1 50 ? 6.788 -5.395 6.613 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 5 -ATOM 7201 H HB3 . MET A 1 50 ? 7.107 -6.243 5.120 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 5 -ATOM 7202 H HG2 . MET A 1 50 ? 5.876 -7.502 7.555 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 5 -ATOM 7203 H HG3 . MET A 1 50 ? 4.966 -6.879 6.185 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 5 -ATOM 7204 H HE1 . MET A 1 50 ? 6.765 -7.717 3.691 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 5 -ATOM 7205 H HE2 . MET A 1 50 ? 5.016 -7.883 3.792 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 5 -ATOM 7206 H HE3 . MET A 1 50 ? 5.999 -9.255 3.292 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 5 -ATOM 7207 N N . PRO A 1 51 ? 10.247 -6.324 5.194 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 5 -ATOM 7208 C CA . PRO A 1 51 ? 11.326 -5.544 4.576 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 5 -ATOM 7209 C C . PRO A 1 51 ? 10.818 -4.263 3.904 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 5 -ATOM 7210 O O . PRO A 1 51 ? 10.297 -4.289 2.776 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 5 -ATOM 7211 C CB . PRO A 1 51 ? 11.943 -6.501 3.540 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 5 -ATOM 7212 C CG . PRO A 1 51 ? 10.903 -7.547 3.316 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 5 -ATOM 7213 C CD . PRO A 1 51 ? 10.162 -7.680 4.613 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 5 -ATOM 7214 H HA . PRO A 1 51 ? 12.069 -5.279 5.313 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 5 -ATOM 7215 H HB2 . PRO A 1 51 ? 12.158 -5.954 2.633 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 5 -ATOM 7216 H HB3 . PRO A 1 51 ? 12.852 -6.926 3.936 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 5 -ATOM 7217 H HG2 . PRO A 1 51 ? 10.230 -7.229 2.533 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 5 -ATOM 7218 H HG3 . PRO A 1 51 ? 11.371 -8.484 3.052 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 5 -ATOM 7219 H HD2 . PRO A 1 51 ? 9.135 -7.960 4.426 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 5 -ATOM 7220 H HD3 . PRO A 1 51 ? 10.643 -8.404 5.254 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 5 -ATOM 7221 N N . ASP A 1 52 ? 10.897 -3.173 4.662 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 5 -ATOM 7222 C CA . ASP A 1 52 ? 10.501 -1.823 4.246 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 5 -ATOM 7223 C C . ASP A 1 52 ? 9.114 -1.771 3.655 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 5 -ATOM 7224 O O . ASP A 1 52 ? 8.882 -1.179 2.593 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 5 -ATOM 7225 C CB . ASP A 1 52 ? 11.535 -1.149 3.331 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 5 -ATOM 7226 C CG . ASP A 1 52 ? 12.824 -0.843 4.050 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 5 -ATOM 7227 O OD1 . ASP A 1 52 ? 12.794 -0.158 5.108 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 5 -ATOM 7228 O OD2 . ASP A 1 52 ? 13.900 -1.295 3.604 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 5 -ATOM 7229 H H . ASP A 1 52 ? 11.231 -3.311 5.575 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 5 -ATOM 7230 H HA . ASP A 1 52 ? 10.445 -1.248 5.159 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 5 -ATOM 7231 H HB2 . ASP A 1 52 ? 11.755 -1.803 2.500 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 5 -ATOM 7232 H HB3 . ASP A 1 52 ? 11.122 -0.225 2.953 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 5 -ATOM 7233 N N . CYS A 1 53 ? 8.189 -2.397 4.332 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 5 -ATOM 7234 C CA . CYS A 1 53 ? 6.834 -2.347 3.899 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 5 -ATOM 7235 C C . CYS A 1 53 ? 6.092 -1.440 4.846 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 5 -ATOM 7236 O O . CYS A 1 53 ? 6.336 -1.470 6.058 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 5 -ATOM 7237 C CB . CYS A 1 53 ? 6.231 -3.744 3.882 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 5 -ATOM 7238 S SG . CYS A 1 53 ? 7.163 -4.933 2.881 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 5 -ATOM 7239 H H . CYS A 1 53 ? 8.412 -2.876 5.158 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 5 -ATOM 7240 H HA . CYS A 1 53 ? 6.811 -1.923 2.908 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 5 -ATOM 7241 H HB2 . CYS A 1 53 ? 6.199 -4.118 4.892 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 5 -ATOM 7242 H HB3 . CYS A 1 53 ? 5.227 -3.693 3.488 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 5 -ATOM 7243 H HG . CYS A 1 53 ? 8.374 -4.426 2.678 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 5 -ATOM 7244 N N . TYR A 1 54 ? 5.208 -0.663 4.319 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 5 -ATOM 7245 C CA . TYR A 1 54 ? 4.501 0.324 5.075 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 5 -ATOM 7246 C C . TYR A 1 54 ? 3.034 0.164 4.835 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 5 -ATOM 7247 O O . TYR A 1 54 ? 2.622 -0.350 3.787 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 5 -ATOM 7248 C CB . TYR A 1 54 ? 4.957 1.750 4.688 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 5 -ATOM 7249 C CG . TYR A 1 54 ? 6.431 2.071 4.951 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 5 -ATOM 7250 C CD1 . TYR A 1 54 ? 7.438 1.556 4.144 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 5 -ATOM 7251 C CD2 . TYR A 1 54 ? 6.806 2.887 6.004 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 5 -ATOM 7252 C CE1 . TYR A 1 54 ? 8.767 1.843 4.381 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 5 -ATOM 7253 C CE2 . TYR A 1 54 ? 8.137 3.176 6.243 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 5 -ATOM 7254 C CZ . TYR A 1 54 ? 9.109 2.652 5.430 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 5 -ATOM 7255 O OH . TYR A 1 54 ? 10.434 2.934 5.678 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 5 -ATOM 7256 H H . TYR A 1 54 ? 4.978 -0.752 3.367 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 5 -ATOM 7257 H HA . TYR A 1 54 ? 4.690 0.165 6.122 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 5 -ATOM 7258 H HB2 . TYR A 1 54 ? 4.783 1.886 3.632 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 5 -ATOM 7259 H HB3 . TYR A 1 54 ? 4.356 2.461 5.234 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 5 -ATOM 7260 H HD1 . TYR A 1 54 ? 7.167 0.916 3.318 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 5 -ATOM 7261 H HD2 . TYR A 1 54 ? 6.047 3.300 6.651 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 5 -ATOM 7262 H HE1 . TYR A 1 54 ? 9.532 1.430 3.739 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 5 -ATOM 7263 H HE2 . TYR A 1 54 ? 8.408 3.814 7.072 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 5 -ATOM 7264 H HH . TYR A 1 54 ? 10.862 3.104 4.826 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 5 -ATOM 7265 N N . LYS A 1 55 ? 2.248 0.569 5.784 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 5 -ATOM 7266 C CA . LYS A 1 55 ? 0.837 0.455 5.660 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 5 -ATOM 7267 C C . LYS A 1 55 ? 0.174 1.727 6.117 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 5 -ATOM 7268 O O . LYS A 1 55 ? 0.589 2.346 7.102 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 5 -ATOM 7269 C CB . LYS A 1 55 ? 0.277 -0.782 6.435 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 5 -ATOM 7270 C CG . LYS A 1 55 ? 0.167 -0.693 7.987 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 5 -ATOM 7271 C CD . LYS A 1 55 ? 1.492 -0.409 8.698 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 5 -ATOM 7272 C CE . LYS A 1 55 ? 1.355 -0.585 10.206 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 5 -ATOM 7273 N NZ . LYS A 1 55 ? 2.583 -0.194 10.951 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 5 -ATOM 7274 H H . LYS A 1 55 ? 2.628 0.985 6.591 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 5 -ATOM 7275 H HA . LYS A 1 55 ? 0.621 0.321 4.609 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 5 -ATOM 7276 H HB2 . LYS A 1 55 ? -0.715 -0.988 6.062 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 5 -ATOM 7277 H HB3 . LYS A 1 55 ? 0.906 -1.626 6.192 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 5 -ATOM 7278 H HG2 . LYS A 1 55 ? -0.519 0.103 8.234 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 5 -ATOM 7279 H HG3 . LYS A 1 55 ? -0.238 -1.625 8.351 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 5 -ATOM 7280 H HD2 . LYS A 1 55 ? 2.253 -1.075 8.321 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 5 -ATOM 7281 H HD3 . LYS A 1 55 ? 1.785 0.610 8.489 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 5 -ATOM 7282 H HE2 . LYS A 1 55 ? 0.523 0.011 10.543 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 5 -ATOM 7283 H HE3 . LYS A 1 55 ? 1.143 -1.624 10.404 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 5 -ATOM 7284 H HZ1 . LYS A 1 55 ? 2.776 0.819 10.834 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 5 -ATOM 7285 H HZ2 . LYS A 1 55 ? 3.428 -0.731 10.667 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 5 -ATOM 7286 H HZ3 . LYS A 1 55 ? 2.454 -0.365 11.970 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 5 -ATOM 7287 N N . ILE A 1 56 ? -0.821 2.118 5.409 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 5 -ATOM 7288 C CA . ILE A 1 56 ? -1.603 3.256 5.776 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 5 -ATOM 7289 C C . ILE A 1 56 ? -2.940 2.735 6.195 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 5 -ATOM 7290 O O . ILE A 1 56 ? -3.522 1.898 5.501 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 5 -ATOM 7291 C CB . ILE A 1 56 ? -1.780 4.267 4.603 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 5 -ATOM 7292 C CG1 . ILE A 1 56 ? -0.408 4.750 4.105 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 5 -ATOM 7293 C CG2 . ILE A 1 56 ? -2.638 5.461 5.043 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 5 -ATOM 7294 C CD1 . ILE A 1 56 ? -0.475 5.710 2.934 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 5 -ATOM 7295 H H . ILE A 1 56 ? -1.054 1.601 4.604 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 5 -ATOM 7296 H HA . ILE A 1 56 ? -1.127 3.746 6.614 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 5 -ATOM 7297 H HB . ILE A 1 56 ? -2.289 3.760 3.797 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 5 -ATOM 7298 H HG12 . ILE A 1 56 ? 0.096 5.257 4.914 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 5 -ATOM 7299 H HG13 . ILE A 1 56 ? 0.178 3.894 3.806 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 5 -ATOM 7300 H HG21 . ILE A 1 56 ? -2.160 5.960 5.874 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 5 -ATOM 7301 H HG22 . ILE A 1 56 ? -3.622 5.128 5.343 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 5 -ATOM 7302 H HG23 . ILE A 1 56 ? -2.737 6.158 4.224 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 5 -ATOM 7303 H HD11 . ILE A 1 56 ? 0.526 5.965 2.620 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 5 -ATOM 7304 H HD12 . ILE A 1 56 ? -0.987 6.609 3.246 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 5 -ATOM 7305 H HD13 . ILE A 1 56 ? -1.011 5.253 2.116 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 5 -ATOM 7306 N N . LYS A 1 57 ? -3.413 3.173 7.317 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 5 -ATOM 7307 C CA . LYS A 1 57 ? -4.679 2.716 7.791 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 5 -ATOM 7308 C C . LYS A 1 57 ? -5.668 3.810 7.519 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 5 -ATOM 7309 O O . LYS A 1 57 ? -5.330 5.000 7.627 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 5 -ATOM 7310 C CB . LYS A 1 57 ? -4.638 2.297 9.299 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 5 -ATOM 7311 C CG . LYS A 1 57 ? -4.667 3.421 10.370 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 5 -ATOM 7312 C CD . LYS A 1 57 ? -3.538 4.447 10.256 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 5 -ATOM 7313 C CE . LYS A 1 57 ? -2.159 3.829 10.357 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 5 -ATOM 7314 N NZ . LYS A 1 57 ? -1.095 4.857 10.292 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 5 -ATOM 7315 H H . LYS A 1 57 ? -2.932 3.869 7.806 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 5 -ATOM 7316 H HA . LYS A 1 57 ? -4.950 1.864 7.184 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 5 -ATOM 7317 H HB2 . LYS A 1 57 ? -5.485 1.655 9.487 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 5 -ATOM 7318 H HB3 . LYS A 1 57 ? -3.744 1.711 9.451 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 5 -ATOM 7319 H HG2 . LYS A 1 57 ? -5.604 3.951 10.283 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 5 -ATOM 7320 H HG3 . LYS A 1 57 ? -4.624 2.957 11.345 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 5 -ATOM 7321 H HD2 . LYS A 1 57 ? -3.627 4.939 9.300 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 5 -ATOM 7322 H HD3 . LYS A 1 57 ? -3.662 5.173 11.046 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 5 -ATOM 7323 H HE2 . LYS A 1 57 ? -2.081 3.280 11.284 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 5 -ATOM 7324 H HE3 . LYS A 1 57 ? -2.050 3.156 9.519 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 5 -ATOM 7325 H HZ1 . LYS A 1 57 ? -1.159 5.521 11.088 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 5 -ATOM 7326 H HZ2 . LYS A 1 57 ? -1.166 5.419 9.421 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 5 -ATOM 7327 H HZ3 . LYS A 1 57 ? -0.145 4.431 10.300 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 5 -ATOM 7328 N N . LEU A 1 58 ? -6.834 3.451 7.123 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 5 -ATOM 7329 C CA . LEU A 1 58 ? -7.798 4.428 6.759 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 5 -ATOM 7330 C C . LEU A 1 58 ? -8.657 4.691 7.977 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 5 -ATOM 7331 O O . LEU A 1 58 ? -9.379 3.809 8.428 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 5 -ATOM 7332 C CB . LEU A 1 58 ? -8.663 3.903 5.599 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 5 -ATOM 7333 C CG . LEU A 1 58 ? -9.266 4.934 4.615 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 5 -ATOM 7334 C CD1 . LEU A 1 58 ? -10.237 4.258 3.679 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 5 -ATOM 7335 C CD2 . LEU A 1 58 ? -9.928 6.097 5.317 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 5 -ATOM 7336 H H . LEU A 1 58 ? -7.082 2.499 7.085 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 5 -ATOM 7337 H HA . LEU A 1 58 ? -7.271 5.319 6.453 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 5 -ATOM 7338 H HB2 . LEU A 1 58 ? -8.063 3.214 5.026 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 5 -ATOM 7339 H HB3 . LEU A 1 58 ? -9.479 3.347 6.037 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 5 -ATOM 7340 H HG . LEU A 1 58 ? -8.464 5.313 3.998 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 5 -ATOM 7341 H HD11 . LEU A 1 58 ? -11.014 3.783 4.259 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 5 -ATOM 7342 H HD12 . LEU A 1 58 ? -9.721 3.517 3.087 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 5 -ATOM 7343 H HD13 . LEU A 1 58 ? -10.684 4.995 3.030 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 5 -ATOM 7344 H HD21 . LEU A 1 58 ? -9.193 6.633 5.899 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 5 -ATOM 7345 H HD22 . LEU A 1 58 ? -10.688 5.710 5.980 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 5 -ATOM 7346 H HD23 . LEU A 1 58 ? -10.376 6.757 4.589 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 5 -ATOM 7347 N N . ARG A 1 59 ? -8.563 5.870 8.527 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 5 -ATOM 7348 C CA . ARG A 1 59 ? -9.362 6.211 9.678 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 5 -ATOM 7349 C C . ARG A 1 59 ? -10.785 6.555 9.242 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 5 -ATOM 7350 O O . ARG A 1 59 ? -11.118 7.725 9.003 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 5 -ATOM 7351 C CB . ARG A 1 59 ? -8.739 7.357 10.477 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 5 -ATOM 7352 C CG . ARG A 1 59 ? -7.371 7.060 11.079 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 5 -ATOM 7353 C CD . ARG A 1 59 ? -7.425 5.923 12.083 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 5 -ATOM 7354 N NE . ARG A 1 59 ? -6.121 5.700 12.731 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 5 -ATOM 7355 C CZ . ARG A 1 59 ? -5.870 4.751 13.646 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 5 -ATOM 7356 N NH1 . ARG A 1 59 ? -6.831 3.938 14.042 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 5 -ATOM 7357 N NH2 . ARG A 1 59 ? -4.656 4.619 14.151 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 5 -ATOM 7358 H H . ARG A 1 59 ? -7.944 6.531 8.143 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 5 -ATOM 7359 H HA . ARG A 1 59 ? -9.414 5.330 10.300 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 5 -ATOM 7360 H HB2 . ARG A 1 59 ? -8.628 8.205 9.819 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 5 -ATOM 7361 H HB3 . ARG A 1 59 ? -9.412 7.621 11.278 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 5 -ATOM 7362 H HG2 . ARG A 1 59 ? -6.695 6.781 10.283 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 5 -ATOM 7363 H HG3 . ARG A 1 59 ? -7.001 7.947 11.570 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 5 -ATOM 7364 H HD2 . ARG A 1 59 ? -8.162 6.149 12.840 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 5 -ATOM 7365 H HD3 . ARG A 1 59 ? -7.709 5.019 11.564 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 5 -ATOM 7366 H HE . ARG A 1 59 ? -5.405 6.308 12.437 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 5 -ATOM 7367 H HH11 . ARG A 1 59 ? -7.764 3.993 13.681 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 5 -ATOM 7368 H HH12 . ARG A 1 59 ? -6.671 3.217 14.726 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 5 -ATOM 7369 H HH21 . ARG A 1 59 ? -3.884 5.204 13.892 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 5 -ATOM 7370 H HH22 . ARG A 1 59 ? -4.458 3.888 14.814 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 5 -ATOM 7371 N N . SER A 1 60 ? -11.573 5.513 9.041 1.00 0.00 ? ? ? ? ? ? 57 SER A N 5 -ATOM 7372 C CA . SER A 1 60 ? -12.974 5.585 8.622 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 5 -ATOM 7373 C C . SER A 1 60 ? -13.632 4.229 8.844 1.00 0.00 ? ? ? ? ? ? 57 SER A C 5 -ATOM 7374 O O . SER A 1 60 ? -14.782 4.143 9.272 1.00 0.00 ? ? ? ? ? ? 57 SER A O 5 -ATOM 7375 C CB . SER A 1 60 ? -13.115 5.962 7.134 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 5 -ATOM 7376 O OG . SER A 1 60 ? -12.535 7.225 6.860 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 5 -ATOM 7377 H H . SER A 1 60 ? -11.180 4.629 9.214 1.00 0.00 ? ? ? ? ? ? 57 SER A H 5 -ATOM 7378 H HA . SER A 1 60 ? -13.463 6.329 9.233 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 5 -ATOM 7379 H HB2 . SER A 1 60 ? -12.638 5.212 6.522 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 5 -ATOM 7380 H HB3 . SER A 1 60 ? -14.165 6.004 6.886 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 5 -ATOM 7381 H HG . SER A 1 60 ? -12.109 7.504 7.684 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 5 -ATOM 7382 N N . SER A 1 61 ? -12.876 3.186 8.576 1.00 0.00 ? ? ? ? ? ? 58 SER A N 5 -ATOM 7383 C CA . SER A 1 61 ? -13.316 1.832 8.703 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 5 -ATOM 7384 C C . SER A 1 61 ? -12.047 0.989 8.766 1.00 0.00 ? ? ? ? ? ? 58 SER A C 5 -ATOM 7385 O O . SER A 1 61 ? -10.952 1.544 8.649 1.00 0.00 ? ? ? ? ? ? 58 SER A O 5 -ATOM 7386 C CB . SER A 1 61 ? -14.197 1.453 7.489 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 5 -ATOM 7387 O OG . SER A 1 61 ? -14.778 0.162 7.622 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 5 -ATOM 7388 H H . SER A 1 61 ? -11.941 3.283 8.296 1.00 0.00 ? ? ? ? ? ? 58 SER A H 5 -ATOM 7389 H HA . SER A 1 61 ? -13.873 1.731 9.622 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 5 -ATOM 7390 H HB2 . SER A 1 61 ? -14.987 2.182 7.388 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 5 -ATOM 7391 H HB3 . SER A 1 61 ? -13.594 1.478 6.594 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 5 -ATOM 7392 H HG . SER A 1 61 ? -15.666 0.292 7.980 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 5 -ATOM 7393 N N . GLY A 1 62 ? -12.167 -0.306 8.901 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 5 -ATOM 7394 C CA . GLY A 1 62 ? -10.999 -1.156 9.055 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 5 -ATOM 7395 C C . GLY A 1 62 ? -10.285 -1.477 7.761 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 5 -ATOM 7396 O O . GLY A 1 62 ? -10.013 -2.638 7.467 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 5 -ATOM 7397 H H . GLY A 1 62 ? -13.070 -0.695 8.896 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 5 -ATOM 7398 H HA2 . GLY A 1 62 ? -10.294 -0.643 9.690 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 5 -ATOM 7399 H HA3 . GLY A 1 62 ? -11.292 -2.080 9.528 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 5 -ATOM 7400 N N . TYR A 1 63 ? -9.964 -0.467 7.001 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 5 -ATOM 7401 C CA . TYR A 1 63 ? -9.244 -0.655 5.775 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 5 -ATOM 7402 C C . TYR A 1 63 ? -7.833 -0.157 5.933 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 5 -ATOM 7403 O O . TYR A 1 63 ? -7.578 0.800 6.663 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 5 -ATOM 7404 C CB . TYR A 1 63 ? -9.925 0.039 4.599 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 5 -ATOM 7405 C CG . TYR A 1 63 ? -11.275 -0.537 4.231 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 5 -ATOM 7406 C CD1 . TYR A 1 63 ? -11.376 -1.712 3.499 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 5 -ATOM 7407 C CD2 . TYR A 1 63 ? -12.444 0.101 4.601 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 5 -ATOM 7408 C CE1 . TYR A 1 63 ? -12.608 -2.232 3.147 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 5 -ATOM 7409 C CE2 . TYR A 1 63 ? -13.680 -0.407 4.250 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 5 -ATOM 7410 C CZ . TYR A 1 63 ? -13.755 -1.576 3.524 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 5 -ATOM 7411 O OH . TYR A 1 63 ? -14.986 -2.076 3.154 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 5 -ATOM 7412 H H . TYR A 1 63 ? -10.197 0.441 7.302 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 5 -ATOM 7413 H HA . TYR A 1 63 ? -9.212 -1.718 5.585 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 5 -ATOM 7414 H HB2 . TYR A 1 63 ? -10.065 1.081 4.842 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 5 -ATOM 7415 H HB3 . TYR A 1 63 ? -9.283 -0.034 3.733 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 5 -ATOM 7416 H HD1 . TYR A 1 63 ? -10.472 -2.226 3.204 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 5 -ATOM 7417 H HD2 . TYR A 1 63 ? -12.368 1.018 5.165 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 5 -ATOM 7418 H HE1 . TYR A 1 63 ? -12.668 -3.147 2.577 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 5 -ATOM 7419 H HE2 . TYR A 1 63 ? -14.581 0.108 4.549 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 5 -ATOM 7420 H HH . TYR A 1 63 ? -15.005 -3.035 3.272 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 5 -ATOM 7421 N N . ARG A 1 64 ? -6.927 -0.853 5.333 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 5 -ATOM 7422 C CA . ARG A 1 64 ? -5.532 -0.515 5.335 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 5 -ATOM 7423 C C . ARG A 1 64 ? -4.930 -0.888 4.003 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 5 -ATOM 7424 O O . ARG A 1 64 ? -5.413 -1.805 3.325 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 5 -ATOM 7425 C CB . ARG A 1 64 ? -4.736 -1.167 6.506 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 5 -ATOM 7426 C CG . ARG A 1 64 ? -5.012 -2.649 6.737 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 5 -ATOM 7427 C CD . ARG A 1 64 ? -6.241 -2.849 7.623 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 5 -ATOM 7428 N NE . ARG A 1 64 ? -5.961 -2.538 9.039 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 5 -ATOM 7429 C CZ . ARG A 1 64 ? -6.531 -1.569 9.780 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 5 -ATOM 7430 N NH1 . ARG A 1 64 ? -7.298 -0.639 9.221 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 5 -ATOM 7431 N NH2 . ARG A 1 64 ? -6.275 -1.511 11.080 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 5 -ATOM 7432 H H . ARG A 1 64 ? -7.183 -1.652 4.816 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 5 -ATOM 7433 H HA . ARG A 1 64 ? -5.482 0.560 5.431 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 5 -ATOM 7434 H HB2 . ARG A 1 64 ? -3.681 -1.053 6.308 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 5 -ATOM 7435 H HB3 . ARG A 1 64 ? -4.971 -0.633 7.416 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 5 -ATOM 7436 H HG2 . ARG A 1 64 ? -5.182 -3.126 5.784 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 5 -ATOM 7437 H HG3 . ARG A 1 64 ? -4.154 -3.096 7.220 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 5 -ATOM 7438 H HD2 . ARG A 1 64 ? -7.027 -2.196 7.269 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 5 -ATOM 7439 H HD3 . ARG A 1 64 ? -6.569 -3.874 7.540 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 5 -ATOM 7440 H HE . ARG A 1 64 ? -5.323 -3.146 9.482 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 5 -ATOM 7441 H HH11 . ARG A 1 64 ? -7.494 -0.594 8.240 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 5 -ATOM 7442 H HH12 . ARG A 1 64 ? -7.725 0.086 9.773 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 5 -ATOM 7443 H HH21 . ARG A 1 64 ? -5.663 -2.173 11.524 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 5 -ATOM 7444 H HH22 . ARG A 1 64 ? -6.688 -0.820 11.680 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 5 -ATOM 7445 N N . LEU A 1 65 ? -3.928 -0.181 3.618 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 5 -ATOM 7446 C CA . LEU A 1 65 ? -3.259 -0.429 2.378 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 5 -ATOM 7447 C C . LEU A 1 65 ? -1.793 -0.690 2.675 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 5 -ATOM 7448 O O . LEU A 1 65 ? -1.155 0.097 3.375 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 5 -ATOM 7449 C CB . LEU A 1 65 ? -3.492 0.771 1.426 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 5 -ATOM 7450 C CG . LEU A 1 65 ? -2.948 0.675 -0.010 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 5 -ATOM 7451 C CD1 . LEU A 1 65 ? -3.669 1.666 -0.896 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 5 -ATOM 7452 C CD2 . LEU A 1 65 ? -1.472 0.983 -0.045 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 5 -ATOM 7453 H H . LEU A 1 65 ? -3.606 0.551 4.192 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 5 -ATOM 7454 H HA . LEU A 1 65 ? -3.689 -1.320 1.947 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 5 -ATOM 7455 H HB2 . LEU A 1 65 ? -4.558 0.927 1.357 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 5 -ATOM 7456 H HB3 . LEU A 1 65 ? -3.059 1.643 1.892 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 5 -ATOM 7457 H HG . LEU A 1 65 ? -3.104 -0.321 -0.398 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 5 -ATOM 7458 H HD11 . LEU A 1 65 ? -3.262 1.604 -1.895 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 5 -ATOM 7459 H HD12 . LEU A 1 65 ? -3.546 2.664 -0.504 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 5 -ATOM 7460 H HD13 . LEU A 1 65 ? -4.719 1.416 -0.925 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 5 -ATOM 7461 H HD21 . LEU A 1 65 ? -0.937 0.257 0.550 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 5 -ATOM 7462 H HD22 . LEU A 1 65 ? -1.318 1.968 0.369 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 5 -ATOM 7463 H HD23 . LEU A 1 65 ? -1.121 0.954 -1.065 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 5 -ATOM 7464 N N . VAL A 1 66 ? -1.281 -1.790 2.162 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 5 -ATOM 7465 C CA . VAL A 1 66 ? 0.079 -2.218 2.427 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 5 -ATOM 7466 C C . VAL A 1 66 ? 0.914 -2.142 1.153 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 5 -ATOM 7467 O O . VAL A 1 66 ? 0.562 -2.736 0.112 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 5 -ATOM 7468 C CB . VAL A 1 66 ? 0.110 -3.670 2.992 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 5 -ATOM 7469 C CG1 . VAL A 1 66 ? 1.534 -4.128 3.284 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 5 -ATOM 7470 C CG2 . VAL A 1 66 ? -0.742 -3.773 4.247 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 5 -ATOM 7471 H H . VAL A 1 66 ? -1.814 -2.340 1.545 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 5 -ATOM 7472 H HA . VAL A 1 66 ? 0.503 -1.552 3.165 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 5 -ATOM 7473 H HB . VAL A 1 66 ? -0.309 -4.330 2.246 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 5 -ATOM 7474 H HG11 . VAL A 1 66 ? 2.107 -4.138 2.369 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 5 -ATOM 7475 H HG12 . VAL A 1 66 ? 1.515 -5.117 3.719 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 5 -ATOM 7476 H HG13 . VAL A 1 66 ? 1.990 -3.445 3.985 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 5 -ATOM 7477 H HG21 . VAL A 1 66 ? -0.360 -3.093 4.994 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 5 -ATOM 7478 H HG22 . VAL A 1 66 ? -0.701 -4.783 4.628 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 5 -ATOM 7479 H HG23 . VAL A 1 66 ? -1.765 -3.516 4.018 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 5 -ATOM 7480 N N . TYR A 1 67 ? 1.998 -1.432 1.230 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 5 -ATOM 7481 C CA . TYR A 1 67 ? 2.872 -1.251 0.111 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 5 -ATOM 7482 C C . TYR A 1 67 ? 4.313 -1.392 0.542 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 5 -ATOM 7483 O O . TYR A 1 67 ? 4.620 -1.273 1.719 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 5 -ATOM 7484 C CB . TYR A 1 67 ? 2.630 0.118 -0.568 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 5 -ATOM 7485 C CG . TYR A 1 67 ? 2.778 1.354 0.311 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 5 -ATOM 7486 C CD1 . TYR A 1 67 ? 4.006 1.750 0.828 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 5 -ATOM 7487 C CD2 . TYR A 1 67 ? 1.681 2.133 0.592 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 5 -ATOM 7488 C CE1 . TYR A 1 67 ? 4.119 2.879 1.598 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 5 -ATOM 7489 C CE2 . TYR A 1 67 ? 1.783 3.262 1.357 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 5 -ATOM 7490 C CZ . TYR A 1 67 ? 3.008 3.633 1.860 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 5 -ATOM 7491 O OH . TYR A 1 67 ? 3.120 4.759 2.628 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 5 -ATOM 7492 H H . TYR A 1 67 ? 2.246 -1.018 2.090 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 5 -ATOM 7493 H HA . TYR A 1 67 ? 2.655 -2.029 -0.604 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 5 -ATOM 7494 H HB2 . TYR A 1 67 ? 3.303 0.237 -1.401 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 5 -ATOM 7495 H HB3 . TYR A 1 67 ? 1.620 0.122 -0.950 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 5 -ATOM 7496 H HD1 . TYR A 1 67 ? 4.881 1.152 0.618 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 5 -ATOM 7497 H HD2 . TYR A 1 67 ? 0.721 1.837 0.197 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 5 -ATOM 7498 H HE1 . TYR A 1 67 ? 5.081 3.172 1.989 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 5 -ATOM 7499 H HE2 . TYR A 1 67 ? 0.897 3.849 1.545 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 5 -ATOM 7500 H HH . TYR A 1 67 ? 2.418 4.761 3.285 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 5 -ATOM 7501 N N . GLN A 1 68 ? 5.177 -1.673 -0.378 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 5 -ATOM 7502 C CA . GLN A 1 68 ? 6.580 -1.719 -0.084 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 5 -ATOM 7503 C C . GLN A 1 68 ? 7.257 -0.530 -0.724 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 5 -ATOM 7504 O O . GLN A 1 68 ? 6.921 -0.142 -1.855 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 5 -ATOM 7505 C CB . GLN A 1 68 ? 7.238 -3.042 -0.514 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 5 -ATOM 7506 C CG . GLN A 1 68 ? 7.153 -3.366 -2.005 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 5 -ATOM 7507 C CD . GLN A 1 68 ? 7.877 -4.660 -2.377 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 5 -ATOM 7508 O OE1 . GLN A 1 68 ? 7.481 -5.365 -3.310 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 5 -ATOM 7509 N NE2 . GLN A 1 68 ? 8.957 -4.964 -1.693 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 5 -ATOM 7510 H H . GLN A 1 68 ? 4.870 -1.828 -1.301 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 5 -ATOM 7511 H HA . GLN A 1 68 ? 6.672 -1.605 0.985 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 5 -ATOM 7512 H HB2 . GLN A 1 68 ? 8.280 -2.998 -0.242 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 5 -ATOM 7513 H HB3 . GLN A 1 68 ? 6.769 -3.845 0.035 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 5 -ATOM 7514 H HG2 . GLN A 1 68 ? 6.113 -3.459 -2.282 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 5 -ATOM 7515 H HG3 . GLN A 1 68 ? 7.598 -2.549 -2.556 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 5 -ATOM 7516 H HE21 . GLN A 1 68 ? 9.256 -4.355 -0.982 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 5 -ATOM 7517 H HE22 . GLN A 1 68 ? 9.432 -5.791 -1.915 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 5 -ATOM 7518 N N . VAL A 1 69 ? 8.153 0.076 -0.010 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 5 -ATOM 7519 C CA . VAL A 1 69 ? 8.868 1.212 -0.522 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 5 -ATOM 7520 C C . VAL A 1 69 ? 10.204 0.763 -1.047 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 5 -ATOM 7521 O O . VAL A 1 69 ? 11.048 0.263 -0.299 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 5 -ATOM 7522 C CB . VAL A 1 69 ? 9.050 2.335 0.545 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 5 -ATOM 7523 C CG1 . VAL A 1 69 ? 9.919 3.476 0.012 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 5 -ATOM 7524 C CG2 . VAL A 1 69 ? 7.699 2.881 0.963 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 5 -ATOM 7525 H H . VAL A 1 69 ? 8.380 -0.257 0.887 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 5 -ATOM 7526 H HA . VAL A 1 69 ? 8.296 1.607 -1.350 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 5 -ATOM 7527 H HB . VAL A 1 69 ? 9.530 1.913 1.415 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 5 -ATOM 7528 H HG11 . VAL A 1 69 ? 10.889 3.087 -0.258 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 5 -ATOM 7529 H HG12 . VAL A 1 69 ? 10.038 4.224 0.781 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 5 -ATOM 7530 H HG13 . VAL A 1 69 ? 9.450 3.916 -0.854 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 5 -ATOM 7531 H HG21 . VAL A 1 69 ? 7.195 3.301 0.105 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 5 -ATOM 7532 H HG22 . VAL A 1 69 ? 7.835 3.648 1.713 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 5 -ATOM 7533 H HG23 . VAL A 1 69 ? 7.101 2.081 1.372 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 5 -ATOM 7534 N N . ILE A 1 70 ? 10.382 0.895 -2.325 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 5 -ATOM 7535 C CA . ILE A 1 70 ? 11.615 0.545 -2.931 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 5 -ATOM 7536 C C . ILE A 1 70 ? 12.392 1.825 -3.117 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 5 -ATOM 7537 O O . ILE A 1 70 ? 12.181 2.563 -4.088 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 5 -ATOM 7538 C CB . ILE A 1 70 ? 11.420 -0.154 -4.304 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 5 -ATOM 7539 C CG1 . ILE A 1 70 ? 10.439 -1.336 -4.172 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 5 -ATOM 7540 C CG2 . ILE A 1 70 ? 12.770 -0.644 -4.831 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 5 -ATOM 7541 C CD1 . ILE A 1 70 ? 10.107 -2.020 -5.488 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 5 -ATOM 7542 H H . ILE A 1 70 ? 9.666 1.277 -2.886 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 5 -ATOM 7543 H HA . ILE A 1 70 ? 12.151 -0.111 -2.261 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 5 -ATOM 7544 H HB . ILE A 1 70 ? 11.018 0.567 -4.999 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 5 -ATOM 7545 H HG12 . ILE A 1 70 ? 10.868 -2.079 -3.516 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 5 -ATOM 7546 H HG13 . ILE A 1 70 ? 9.515 -0.977 -3.739 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 5 -ATOM 7547 H HG21 . ILE A 1 70 ? 13.431 0.199 -4.968 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 5 -ATOM 7548 H HG22 . ILE A 1 70 ? 12.630 -1.149 -5.776 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 5 -ATOM 7549 H HG23 . ILE A 1 70 ? 13.202 -1.329 -4.117 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 5 -ATOM 7550 H HD11 . ILE A 1 70 ? 11.011 -2.418 -5.924 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 5 -ATOM 7551 H HD12 . ILE A 1 70 ? 9.668 -1.301 -6.164 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 5 -ATOM 7552 H HD13 . ILE A 1 70 ? 9.406 -2.822 -5.311 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 5 -ATOM 7553 N N . ASP A 1 71 ? 13.249 2.103 -2.173 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 5 -ATOM 7554 C CA . ASP A 1 71 ? 14.049 3.323 -2.158 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 5 -ATOM 7555 C C . ASP A 1 71 ? 15.021 3.341 -3.320 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 5 -ATOM 7556 O O . ASP A 1 71 ? 15.238 4.382 -3.943 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 5 -ATOM 7557 C CB . ASP A 1 71 ? 14.827 3.426 -0.844 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 5 -ATOM 7558 C CG . ASP A 1 71 ? 15.660 4.685 -0.754 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 5 -ATOM 7559 O OD1 . ASP A 1 71 ? 16.788 4.724 -1.309 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 5 -ATOM 7560 O OD2 . ASP A 1 71 ? 15.221 5.653 -0.118 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 5 -ATOM 7561 H H . ASP A 1 71 ? 13.352 1.451 -1.446 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 5 -ATOM 7562 H HA . ASP A 1 71 ? 13.382 4.168 -2.234 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 5 -ATOM 7563 H HB2 . ASP A 1 71 ? 14.131 3.417 -0.018 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 5 -ATOM 7564 H HB3 . ASP A 1 71 ? 15.484 2.574 -0.756 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 5 -ATOM 7565 N N . GLU A 1 72 ? 15.549 2.169 -3.646 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 5 -ATOM 7566 C CA . GLU A 1 72 ? 16.521 2.012 -4.733 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 5 -ATOM 7567 C C . GLU A 1 72 ? 15.936 2.434 -6.082 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 5 -ATOM 7568 O O . GLU A 1 72 ? 16.659 2.864 -6.974 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 5 -ATOM 7569 C CB . GLU A 1 72 ? 16.977 0.571 -4.846 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 5 -ATOM 7570 C CG . GLU A 1 72 ? 17.700 0.002 -3.642 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 5 -ATOM 7571 C CD . GLU A 1 72 ? 18.053 -1.451 -3.858 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 5 -ATOM 7572 O OE1 . GLU A 1 72 ? 17.127 -2.282 -3.986 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 5 -ATOM 7573 O OE2 . GLU A 1 72 ? 19.244 -1.786 -3.964 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 5 -ATOM 7574 H H . GLU A 1 72 ? 15.290 1.383 -3.115 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 5 -ATOM 7575 H HA . GLU A 1 72 ? 17.380 2.628 -4.516 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 5 -ATOM 7576 H HB2 . GLU A 1 72 ? 16.106 -0.043 -5.025 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 5 -ATOM 7577 H HB3 . GLU A 1 72 ? 17.632 0.504 -5.700 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 5 -ATOM 7578 H HG2 . GLU A 1 72 ? 18.612 0.558 -3.485 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 5 -ATOM 7579 H HG3 . GLU A 1 72 ? 17.070 0.084 -2.772 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 5 -ATOM 7580 N N . LYS A 1 73 ? 14.638 2.272 -6.234 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 5 -ATOM 7581 C CA . LYS A 1 73 ? 13.965 2.615 -7.476 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 5 -ATOM 7582 C C . LYS A 1 73 ? 13.105 3.870 -7.323 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 5 -ATOM 7583 O O . LYS A 1 73 ? 12.538 4.358 -8.299 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 5 -ATOM 7584 C CB . LYS A 1 73 ? 13.125 1.438 -7.977 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 5 -ATOM 7585 C CG . LYS A 1 73 ? 13.936 0.212 -8.376 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 5 -ATOM 7586 C CD . LYS A 1 73 ? 13.029 -0.919 -8.837 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 5 -ATOM 7587 C CE . LYS A 1 73 ? 13.828 -2.123 -9.317 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 5 -ATOM 7588 N NZ . LYS A 1 73 ? 14.600 -1.843 -10.551 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 5 -ATOM 7589 H H . LYS A 1 73 ? 14.116 1.922 -5.483 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 5 -ATOM 7590 H HA . LYS A 1 73 ? 14.733 2.822 -8.206 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 5 -ATOM 7591 H HB2 . LYS A 1 73 ? 12.462 1.136 -7.181 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 5 -ATOM 7592 H HB3 . LYS A 1 73 ? 12.540 1.755 -8.827 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 5 -ATOM 7593 H HG2 . LYS A 1 73 ? 14.618 0.471 -9.172 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 5 -ATOM 7594 H HG3 . LYS A 1 73 ? 14.498 -0.120 -7.515 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 5 -ATOM 7595 H HD2 . LYS A 1 73 ? 12.398 -1.225 -8.015 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 5 -ATOM 7596 H HD3 . LYS A 1 73 ? 12.410 -0.561 -9.647 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 5 -ATOM 7597 H HE2 . LYS A 1 73 ? 14.512 -2.420 -8.538 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 5 -ATOM 7598 H HE3 . LYS A 1 73 ? 13.139 -2.932 -9.511 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 5 -ATOM 7599 H HZ1 . LYS A 1 73 ? 13.973 -1.603 -11.344 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 5 -ATOM 7600 H HZ2 . LYS A 1 73 ? 15.127 -2.701 -10.819 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 5 -ATOM 7601 H HZ3 . LYS A 1 73 ? 15.293 -1.079 -10.418 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 5 -ATOM 7602 N N . VAL A 1 74 ? 13.015 4.378 -6.085 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 5 -ATOM 7603 C CA . VAL A 1 74 ? 12.214 5.575 -5.746 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 5 -ATOM 7604 C C . VAL A 1 74 ? 10.710 5.312 -6.080 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 5 -ATOM 7605 O O . VAL A 1 74 ? 9.962 6.188 -6.514 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 5 -ATOM 7606 C CB . VAL A 1 74 ? 12.776 6.862 -6.481 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 5 -ATOM 7607 C CG1 . VAL A 1 74 ? 12.082 8.147 -6.030 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 5 -ATOM 7608 C CG2 . VAL A 1 74 ? 14.269 6.990 -6.247 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 5 -ATOM 7609 H H . VAL A 1 74 ? 13.515 3.933 -5.368 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 5 -ATOM 7610 H HA . VAL A 1 74 ? 12.295 5.704 -4.675 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 5 -ATOM 7611 H HB . VAL A 1 74 ? 12.614 6.741 -7.543 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 5 -ATOM 7612 H HG11 . VAL A 1 74 ? 11.031 8.076 -6.263 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 5 -ATOM 7613 H HG12 . VAL A 1 74 ? 12.510 8.993 -6.547 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 5 -ATOM 7614 H HG13 . VAL A 1 74 ? 12.205 8.274 -4.965 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 5 -ATOM 7615 H HG21 . VAL A 1 74 ? 14.452 7.122 -5.190 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 5 -ATOM 7616 H HG22 . VAL A 1 74 ? 14.656 7.835 -6.795 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 5 -ATOM 7617 H HG23 . VAL A 1 74 ? 14.753 6.083 -6.579 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 5 -ATOM 7618 N N . VAL A 1 75 ? 10.265 4.111 -5.805 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 5 -ATOM 7619 C CA . VAL A 1 75 ? 8.904 3.740 -6.114 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 5 -ATOM 7620 C C . VAL A 1 75 ? 8.236 3.054 -4.925 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 5 -ATOM 7621 O O . VAL A 1 75 ? 8.861 2.282 -4.185 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 5 -ATOM 7622 C CB . VAL A 1 75 ? 8.806 2.856 -7.417 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 5 -ATOM 7623 C CG1 . VAL A 1 75 ? 9.540 1.540 -7.271 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 5 -ATOM 7624 C CG2 . VAL A 1 75 ? 7.356 2.615 -7.839 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 5 -ATOM 7625 H H . VAL A 1 75 ? 10.851 3.469 -5.350 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 5 -ATOM 7626 H HA . VAL A 1 75 ? 8.369 4.662 -6.293 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 5 -ATOM 7627 H HB . VAL A 1 75 ? 9.296 3.405 -8.209 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 5 -ATOM 7628 H HG11 . VAL A 1 75 ? 9.100 0.969 -6.467 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 5 -ATOM 7629 H HG12 . VAL A 1 75 ? 10.577 1.744 -7.048 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 5 -ATOM 7630 H HG13 . VAL A 1 75 ? 9.466 0.986 -8.195 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 5 -ATOM 7631 H HG21 . VAL A 1 75 ? 6.837 2.094 -7.048 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 5 -ATOM 7632 H HG22 . VAL A 1 75 ? 7.335 2.015 -8.736 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 5 -ATOM 7633 H HG23 . VAL A 1 75 ? 6.867 3.560 -8.027 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 5 -ATOM 7634 N N . VAL A 1 76 ? 7.012 3.407 -4.722 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 5 -ATOM 7635 C CA . VAL A 1 76 ? 6.162 2.854 -3.727 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 5 -ATOM 7636 C C . VAL A 1 76 ? 5.259 1.849 -4.434 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 5 -ATOM 7637 O O . VAL A 1 76 ? 4.465 2.213 -5.315 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 5 -ATOM 7638 C CB . VAL A 1 76 ? 5.315 3.973 -3.074 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 5 -ATOM 7639 C CG1 . VAL A 1 76 ? 4.362 3.414 -2.055 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 5 -ATOM 7640 C CG2 . VAL A 1 76 ? 6.214 5.017 -2.433 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 5 -ATOM 7641 H H . VAL A 1 76 ? 6.615 4.095 -5.298 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 5 -ATOM 7642 H HA . VAL A 1 76 ? 6.762 2.359 -2.978 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 5 -ATOM 7643 H HB . VAL A 1 76 ? 4.744 4.460 -3.851 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 5 -ATOM 7644 H HG11 . VAL A 1 76 ? 3.787 4.219 -1.620 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 5 -ATOM 7645 H HG12 . VAL A 1 76 ? 4.921 2.908 -1.280 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 5 -ATOM 7646 H HG13 . VAL A 1 76 ? 3.693 2.714 -2.534 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 5 -ATOM 7647 H HG21 . VAL A 1 76 ? 6.822 4.548 -1.674 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 5 -ATOM 7648 H HG22 . VAL A 1 76 ? 5.609 5.788 -1.981 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 5 -ATOM 7649 H HG23 . VAL A 1 76 ? 6.853 5.455 -3.186 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 5 -ATOM 7650 N N . PHE A 1 77 ? 5.406 0.612 -4.082 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 5 -ATOM 7651 C CA . PHE A 1 77 ? 4.723 -0.456 -4.760 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 5 -ATOM 7652 C C . PHE A 1 77 ? 3.656 -1.070 -3.857 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 5 -ATOM 7653 O O . PHE A 1 77 ? 3.976 -1.701 -2.851 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 5 -ATOM 7654 C CB . PHE A 1 77 ? 5.766 -1.500 -5.181 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 5 -ATOM 7655 C CG . PHE A 1 77 ? 5.236 -2.628 -6.001 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 5 -ATOM 7656 C CD1 . PHE A 1 77 ? 5.009 -2.457 -7.348 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 5 -ATOM 7657 C CD2 . PHE A 1 77 ? 4.983 -3.860 -5.431 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 5 -ATOM 7658 C CE1 . PHE A 1 77 ? 4.538 -3.490 -8.116 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 5 -ATOM 7659 C CE2 . PHE A 1 77 ? 4.509 -4.898 -6.194 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 5 -ATOM 7660 C CZ . PHE A 1 77 ? 4.286 -4.709 -7.541 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 5 -ATOM 7661 H H . PHE A 1 77 ? 5.991 0.389 -3.322 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 5 -ATOM 7662 H HA . PHE A 1 77 ? 4.259 -0.057 -5.648 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 5 -ATOM 7663 H HB2 . PHE A 1 77 ? 6.533 -1.012 -5.764 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 5 -ATOM 7664 H HB3 . PHE A 1 77 ? 6.218 -1.914 -4.291 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 5 -ATOM 7665 H HD1 . PHE A 1 77 ? 5.205 -1.496 -7.800 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 5 -ATOM 7666 H HD2 . PHE A 1 77 ? 5.160 -4.003 -4.375 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 5 -ATOM 7667 H HE1 . PHE A 1 77 ? 4.367 -3.338 -9.170 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 5 -ATOM 7668 H HE2 . PHE A 1 77 ? 4.310 -5.857 -5.740 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 5 -ATOM 7669 H HZ . PHE A 1 77 ? 3.911 -5.518 -8.149 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 5 -ATOM 7670 N N . VAL A 1 78 ? 2.400 -0.870 -4.210 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 5 -ATOM 7671 C CA . VAL A 1 78 ? 1.273 -1.388 -3.438 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 5 -ATOM 7672 C C . VAL A 1 78 ? 1.136 -2.875 -3.681 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 5 -ATOM 7673 O O . VAL A 1 78 ? 0.987 -3.307 -4.826 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 5 -ATOM 7674 C CB . VAL A 1 78 ? -0.061 -0.671 -3.807 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 5 -ATOM 7675 C CG1 . VAL A 1 78 ? -1.235 -1.198 -2.970 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 5 -ATOM 7676 C CG2 . VAL A 1 78 ? 0.076 0.837 -3.653 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 5 -ATOM 7677 H H . VAL A 1 78 ? 2.227 -0.372 -5.042 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 5 -ATOM 7678 H HA . VAL A 1 78 ? 1.484 -1.233 -2.392 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 5 -ATOM 7679 H HB . VAL A 1 78 ? -0.277 -0.889 -4.843 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 5 -ATOM 7680 H HG11 . VAL A 1 78 ? -1.369 -2.252 -3.160 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 5 -ATOM 7681 H HG12 . VAL A 1 78 ? -2.144 -0.670 -3.218 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 5 -ATOM 7682 H HG13 . VAL A 1 78 ? -1.027 -1.058 -1.920 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 5 -ATOM 7683 H HG21 . VAL A 1 78 ? 0.360 1.076 -2.639 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 5 -ATOM 7684 H HG22 . VAL A 1 78 ? -0.869 1.307 -3.881 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 5 -ATOM 7685 H HG23 . VAL A 1 78 ? 0.831 1.201 -4.334 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 5 -ATOM 7686 N N . ILE A 1 79 ? 1.193 -3.650 -2.618 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 5 -ATOM 7687 C CA . ILE A 1 79 ? 1.133 -5.091 -2.740 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 5 -ATOM 7688 C C . ILE A 1 79 ? -0.273 -5.594 -2.423 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 5 -ATOM 7689 O O . ILE A 1 79 ? -0.808 -6.465 -3.108 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 5 -ATOM 7690 C CB . ILE A 1 79 ? 2.124 -5.790 -1.770 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 5 -ATOM 7691 C CG1 . ILE A 1 79 ? 3.543 -5.221 -1.908 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 5 -ATOM 7692 C CG2 . ILE A 1 79 ? 2.143 -7.292 -2.036 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 5 -ATOM 7693 C CD1 . ILE A 1 79 ? 4.526 -5.795 -0.901 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 5 -ATOM 7694 H H . ILE A 1 79 ? 1.271 -3.243 -1.727 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 5 -ATOM 7695 H HA . ILE A 1 79 ? 1.396 -5.359 -3.753 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 5 -ATOM 7696 H HB . ILE A 1 79 ? 1.776 -5.631 -0.759 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 5 -ATOM 7697 H HG12 . ILE A 1 79 ? 3.916 -5.451 -2.895 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 5 -ATOM 7698 H HG13 . ILE A 1 79 ? 3.511 -4.149 -1.776 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 5 -ATOM 7699 H HG21 . ILE A 1 79 ? 1.185 -7.722 -1.780 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 5 -ATOM 7700 H HG22 . ILE A 1 79 ? 2.935 -7.753 -1.466 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 5 -ATOM 7701 H HG23 . ILE A 1 79 ? 2.332 -7.450 -3.087 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 5 -ATOM 7702 H HD11 . ILE A 1 79 ? 5.498 -5.355 -1.056 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 5 -ATOM 7703 H HD12 . ILE A 1 79 ? 4.590 -6.865 -1.031 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 5 -ATOM 7704 H HD13 . ILE A 1 79 ? 4.185 -5.576 0.102 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 5 -ATOM 7705 N N . SER A 1 80 ? -0.876 -5.047 -1.391 1.00 0.00 ? ? ? ? ? ? 77 SER A N 5 -ATOM 7706 C CA . SER A 1 80 ? -2.178 -5.499 -0.954 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 5 -ATOM 7707 C C . SER A 1 80 ? -2.970 -4.344 -0.364 1.00 0.00 ? ? ? ? ? ? 77 SER A C 5 -ATOM 7708 O O . SER A 1 80 ? -2.394 -3.405 0.181 1.00 0.00 ? ? ? ? ? ? 77 SER A O 5 -ATOM 7709 C CB . SER A 1 80 ? -2.015 -6.627 0.076 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 5 -ATOM 7710 O OG . SER A 1 80 ? -1.302 -7.719 -0.484 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 5 -ATOM 7711 H H . SER A 1 80 ? -0.458 -4.307 -0.897 1.00 0.00 ? ? ? ? ? ? 77 SER A H 5 -ATOM 7712 H HA . SER A 1 80 ? -2.706 -5.888 -1.813 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 5 -ATOM 7713 H HB2 . SER A 1 80 ? -1.462 -6.254 0.925 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 5 -ATOM 7714 H HB3 . SER A 1 80 ? -2.989 -6.969 0.397 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 5 -ATOM 7715 H HG . SER A 1 80 ? -1.128 -7.516 -1.413 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 5 -ATOM 7716 N N . VAL A 1 81 ? -4.267 -4.403 -0.488 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 5 -ATOM 7717 C CA . VAL A 1 81 ? -5.127 -3.362 -0.000 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 5 -ATOM 7718 C C . VAL A 1 81 ? -6.471 -3.968 0.425 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 5 -ATOM 7719 O O . VAL A 1 81 ? -6.959 -4.906 -0.218 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 5 -ATOM 7720 C CB . VAL A 1 81 ? -5.308 -2.241 -1.088 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 5 -ATOM 7721 C CG1 . VAL A 1 81 ? -5.883 -2.780 -2.388 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 5 -ATOM 7722 C CG2 . VAL A 1 81 ? -6.137 -1.091 -0.576 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 5 -ATOM 7723 H H . VAL A 1 81 ? -4.704 -5.173 -0.910 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 5 -ATOM 7724 H HA . VAL A 1 81 ? -4.655 -2.930 0.871 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 5 -ATOM 7725 H HB . VAL A 1 81 ? -4.320 -1.868 -1.318 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 5 -ATOM 7726 H HG11 . VAL A 1 81 ? -6.852 -3.217 -2.198 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 5 -ATOM 7727 H HG12 . VAL A 1 81 ? -5.220 -3.534 -2.787 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 5 -ATOM 7728 H HG13 . VAL A 1 81 ? -5.984 -1.977 -3.102 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 5 -ATOM 7729 H HG21 . VAL A 1 81 ? -5.651 -0.669 0.293 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 5 -ATOM 7730 H HG22 . VAL A 1 81 ? -7.125 -1.436 -0.316 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 5 -ATOM 7731 H HG23 . VAL A 1 81 ? -6.195 -0.340 -1.350 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 5 -ATOM 7732 N N . GLY A 1 82 ? -7.011 -3.500 1.533 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 5 -ATOM 7733 C CA . GLY A 1 82 ? -8.291 -3.978 1.997 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 5 -ATOM 7734 C C . GLY A 1 82 ? -8.340 -4.056 3.498 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 5 -ATOM 7735 O O . GLY A 1 82 ? -7.770 -3.210 4.182 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 5 -ATOM 7736 H H . GLY A 1 82 ? -6.533 -2.837 2.081 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 5 -ATOM 7737 H HA2 . GLY A 1 82 ? -9.063 -3.303 1.658 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 5 -ATOM 7738 H HA3 . GLY A 1 82 ? -8.468 -4.960 1.586 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 5 -ATOM 7739 N N . LYS A 1 83 ? -9.012 -5.042 4.017 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 5 -ATOM 7740 C CA . LYS A 1 83 ? -9.085 -5.225 5.446 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 5 -ATOM 7741 C C . LYS A 1 83 ? -8.052 -6.235 5.892 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 5 -ATOM 7742 O O . LYS A 1 83 ? -7.632 -7.098 5.112 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 5 -ATOM 7743 C CB . LYS A 1 83 ? -10.461 -5.707 5.889 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 5 -ATOM 7744 C CG . LYS A 1 83 ? -11.612 -4.751 5.615 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 5 -ATOM 7745 C CD . LYS A 1 83 ? -12.917 -5.288 6.195 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 5 -ATOM 7746 C CE . LYS A 1 83 ? -12.851 -5.399 7.723 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 5 -ATOM 7747 N NZ . LYS A 1 83 ? -14.047 -6.035 8.292 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 5 -ATOM 7748 H H . LYS A 1 83 ? -9.461 -5.679 3.421 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 5 -ATOM 7749 H HA . LYS A 1 83 ? -8.878 -4.276 5.917 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 5 -ATOM 7750 H HB2 . LYS A 1 83 ? -10.678 -6.640 5.390 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 5 -ATOM 7751 H HB3 . LYS A 1 83 ? -10.403 -5.885 6.951 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 5 -ATOM 7752 H HG2 . LYS A 1 83 ? -11.387 -3.797 6.066 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 5 -ATOM 7753 H HG3 . LYS A 1 83 ? -11.722 -4.634 4.546 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 5 -ATOM 7754 H HD2 . LYS A 1 83 ? -13.716 -4.613 5.924 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 5 -ATOM 7755 H HD3 . LYS A 1 83 ? -13.116 -6.263 5.777 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 5 -ATOM 7756 H HE2 . LYS A 1 83 ? -11.998 -5.990 8.015 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 5 -ATOM 7757 H HE3 . LYS A 1 83 ? -12.755 -4.405 8.135 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 5 -ATOM 7758 H HZ1 . LYS A 1 83 ? -13.953 -6.109 9.326 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 5 -ATOM 7759 H HZ2 . LYS A 1 83 ? -14.145 -7.003 7.930 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 5 -ATOM 7760 H HZ3 . LYS A 1 83 ? -14.913 -5.501 8.076 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 5 -ATOM 7761 N N . ALA A 1 84 ? -7.658 -6.142 7.131 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 5 -ATOM 7762 C CA . ALA A 1 84 ? -6.709 -7.052 7.700 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 5 -ATOM 7763 C C . ALA A 1 84 ? -7.108 -7.347 9.121 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 5 -ATOM 7764 O O . ALA A 1 84 ? -6.930 -6.501 10.005 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 5 -ATOM 7765 C CB . ALA A 1 84 ? -5.311 -6.457 7.671 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 5 -ATOM 7766 H H . ALA A 1 84 ? -8.037 -5.449 7.713 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 5 -ATOM 7767 H HA . ALA A 1 84 ? -6.708 -7.958 7.110 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 5 -ATOM 7768 H HB1 . ALA A 1 84 ? -4.608 -7.171 8.077 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 5 -ATOM 7769 H HB2 . ALA A 1 84 ? -5.294 -5.561 8.274 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 5 -ATOM 7770 H HB3 . ALA A 1 84 ? -5.038 -6.216 6.655 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 5 -ATOM 7771 N N . GLU A 1 85 ? -7.710 -8.498 9.339 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 5 -ATOM 7772 C CA . GLU A 1 85 ? -8.094 -8.887 10.681 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 5 -ATOM 7773 C C . GLU A 1 85 ? -6.861 -9.156 11.516 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 5 -ATOM 7774 O O . GLU A 1 85 ? -6.755 -8.698 12.650 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 5 -ATOM 7775 C CB . GLU A 1 85 ? -9.010 -10.116 10.684 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 5 -ATOM 7776 C CG . GLU A 1 85 ? -10.341 -9.906 9.990 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 5 -ATOM 7777 C CD . GLU A 1 85 ? -11.092 -8.716 10.534 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 5 -ATOM 7778 O OE1 . GLU A 1 85 ? -11.328 -8.650 11.766 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 5 -ATOM 7779 O OE2 . GLU A 1 85 ? -11.433 -7.811 9.751 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 5 -ATOM 7780 H H . GLU A 1 85 ? -7.937 -9.091 8.590 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 5 -ATOM 7781 H HA . GLU A 1 85 ? -8.623 -8.053 11.118 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 5 -ATOM 7782 H HB2 . GLU A 1 85 ? -8.500 -10.929 10.189 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 5 -ATOM 7783 H HB3 . GLU A 1 85 ? -9.201 -10.400 11.707 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 5 -ATOM 7784 H HG2 . GLU A 1 85 ? -10.162 -9.748 8.937 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 5 -ATOM 7785 H HG3 . GLU A 1 85 ? -10.948 -10.789 10.121 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 5 -ATOM 7786 N N . ALA A 1 86 ? -5.932 -9.886 10.955 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 5 -ATOM 7787 C CA . ALA A 1 86 ? -4.716 -10.205 11.651 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 5 -ATOM 7788 C C . ALA A 1 86 ? -3.545 -10.367 10.697 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 5 -ATOM 7789 O O . ALA A 1 86 ? -2.579 -9.615 10.757 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 5 -ATOM 7790 C CB . ALA A 1 86 ? -4.898 -11.468 12.477 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 5 -ATOM 7791 H H . ALA A 1 86 ? -6.089 -10.231 10.051 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 5 -ATOM 7792 H HA . ALA A 1 86 ? -4.503 -9.395 12.334 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 5 -ATOM 7793 H HB1 . ALA A 1 86 ? -5.720 -11.331 13.163 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 5 -ATOM 7794 H HB2 . ALA A 1 86 ? -3.991 -11.672 13.024 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 5 -ATOM 7795 H HB3 . ALA A 1 86 ? -5.114 -12.299 11.820 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 5 -ATOM 7796 N N . SER A 1 87 ? -3.632 -11.319 9.808 1.00 0.00 ? ? ? ? ? ? 84 SER A N 5 -ATOM 7797 C CA . SER A 1 87 ? -2.504 -11.653 8.966 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 5 -ATOM 7798 C C . SER A 1 87 ? -2.829 -11.705 7.464 1.00 0.00 ? ? ? ? ? ? 84 SER A C 5 -ATOM 7799 O O . SER A 1 87 ? -1.977 -12.100 6.668 1.00 0.00 ? ? ? ? ? ? 84 SER A O 5 -ATOM 7800 C CB . SER A 1 87 ? -1.940 -12.985 9.463 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 5 -ATOM 7801 O OG . SER A 1 87 ? -3.009 -13.863 9.843 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 5 -ATOM 7802 H H . SER A 1 87 ? -4.453 -11.853 9.722 1.00 0.00 ? ? ? ? ? ? 84 SER A H 5 -ATOM 7803 H HA . SER A 1 87 ? -1.742 -10.907 9.130 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 5 -ATOM 7804 H HB2 . SER A 1 87 ? -1.360 -13.452 8.681 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 5 -ATOM 7805 H HB3 . SER A 1 87 ? -1.318 -12.806 10.327 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 5 -ATOM 7806 H HG . SER A 1 87 ? -3.053 -14.606 9.225 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 5 -ATOM 7807 N N . GLU A 1 88 ? -4.015 -11.239 7.079 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 5 -ATOM 7808 C CA . GLU A 1 88 ? -4.494 -11.325 5.676 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 5 -ATOM 7809 C C . GLU A 1 88 ? -3.538 -10.624 4.708 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 5 -ATOM 7810 O O . GLU A 1 88 ? -3.032 -11.224 3.764 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 5 -ATOM 7811 C CB . GLU A 1 88 ? -5.849 -10.629 5.575 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 5 -ATOM 7812 C CG . GLU A 1 88 ? -6.630 -10.930 4.308 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 5 -ATOM 7813 C CD . GLU A 1 88 ? -7.053 -12.372 4.255 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 5 -ATOM 7814 O OE1 . GLU A 1 88 ? -7.681 -12.837 5.231 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 5 -ATOM 7815 O OE2 . GLU A 1 88 ? -6.741 -13.074 3.270 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 5 -ATOM 7816 H H . GLU A 1 88 ? -4.615 -10.870 7.759 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 5 -ATOM 7817 H HA . GLU A 1 88 ? -4.617 -12.361 5.396 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 5 -ATOM 7818 H HB2 . GLU A 1 88 ? -6.448 -10.927 6.418 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 5 -ATOM 7819 H HB3 . GLU A 1 88 ? -5.688 -9.561 5.624 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 5 -ATOM 7820 H HG2 . GLU A 1 88 ? -7.510 -10.305 4.279 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 5 -ATOM 7821 H HG3 . GLU A 1 88 ? -6.006 -10.718 3.453 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 5 -ATOM 7822 N N . VAL A 1 89 ? -3.228 -9.385 5.013 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 5 -ATOM 7823 C CA . VAL A 1 89 ? -2.386 -8.585 4.146 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 5 -ATOM 7824 C C . VAL A 1 89 ? -0.923 -8.981 4.269 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 5 -ATOM 7825 O O . VAL A 1 89 ? -0.160 -8.834 3.336 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 5 -ATOM 7826 C CB . VAL A 1 89 ? -2.571 -7.062 4.398 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 5 -ATOM 7827 C CG1 . VAL A 1 89 ? -3.994 -6.633 4.063 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 5 -ATOM 7828 C CG2 . VAL A 1 89 ? -2.226 -6.691 5.839 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 5 -ATOM 7829 H H . VAL A 1 89 ? -3.594 -8.993 5.830 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 5 -ATOM 7830 H HA . VAL A 1 89 ? -2.697 -8.800 3.134 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 5 -ATOM 7831 H HB . VAL A 1 89 ? -1.908 -6.529 3.736 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 5 -ATOM 7832 H HG11 . VAL A 1 89 ? -4.193 -6.834 3.020 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 5 -ATOM 7833 H HG12 . VAL A 1 89 ? -4.109 -5.577 4.256 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 5 -ATOM 7834 H HG13 . VAL A 1 89 ? -4.688 -7.190 4.675 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 5 -ATOM 7835 H HG21 . VAL A 1 89 ? -1.194 -6.941 6.038 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 5 -ATOM 7836 H HG22 . VAL A 1 89 ? -2.863 -7.243 6.514 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 5 -ATOM 7837 H HG23 . VAL A 1 89 ? -2.378 -5.633 5.987 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 5 -ATOM 7838 N N . TYR A 1 90 ? -0.562 -9.534 5.413 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 5 -ATOM 7839 C CA . TYR A 1 90 ? 0.808 -9.943 5.660 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 5 -ATOM 7840 C C . TYR A 1 90 ? 1.146 -11.166 4.850 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 5 -ATOM 7841 O O . TYR A 1 90 ? 2.213 -11.237 4.256 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 5 -ATOM 7842 C CB . TYR A 1 90 ? 1.051 -10.217 7.144 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 5 -ATOM 7843 C CG . TYR A 1 90 ? 0.972 -8.992 8.021 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 5 -ATOM 7844 C CD1 . TYR A 1 90 ? -0.236 -8.560 8.550 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 5 -ATOM 7845 C CD2 . TYR A 1 90 ? 2.114 -8.269 8.324 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 5 -ATOM 7846 C CE1 . TYR A 1 90 ? -0.302 -7.441 9.353 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 5 -ATOM 7847 C CE2 . TYR A 1 90 ? 2.058 -7.154 9.128 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 5 -ATOM 7848 C CZ . TYR A 1 90 ? 0.848 -6.743 9.641 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 5 -ATOM 7849 O OH . TYR A 1 90 ? 0.787 -5.630 10.450 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 5 -ATOM 7850 H H . TYR A 1 90 ? -1.250 -9.683 6.092 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 5 -ATOM 7851 H HA . TYR A 1 90 ? 1.452 -9.134 5.347 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 5 -ATOM 7852 H HB2 . TYR A 1 90 ? 0.313 -10.924 7.493 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 5 -ATOM 7853 H HB3 . TYR A 1 90 ? 2.033 -10.651 7.262 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 5 -ATOM 7854 H HD1 . TYR A 1 90 ? -1.137 -9.109 8.322 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 5 -ATOM 7855 H HD2 . TYR A 1 90 ? 3.062 -8.592 7.920 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 5 -ATOM 7856 H HE1 . TYR A 1 90 ? -1.251 -7.119 9.754 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 5 -ATOM 7857 H HE2 . TYR A 1 90 ? 2.961 -6.605 9.345 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 5 -ATOM 7858 H HH . TYR A 1 90 ? 0.201 -5.837 11.189 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 5 -ATOM 7859 N N . SER A 1 91 ? 0.201 -12.098 4.793 1.00 0.00 ? ? ? ? ? ? 88 SER A N 5 -ATOM 7860 C CA . SER A 1 91 ? 0.376 -13.348 4.076 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 5 -ATOM 7861 C C . SER A 1 91 ? 0.664 -13.090 2.593 1.00 0.00 ? ? ? ? ? ? 88 SER A C 5 -ATOM 7862 O O . SER A 1 91 ? 1.666 -13.569 2.052 1.00 0.00 ? ? ? ? ? ? 88 SER A O 5 -ATOM 7863 C CB . SER A 1 91 ? -0.878 -14.220 4.228 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 5 -ATOM 7864 O OG . SER A 1 91 ? -1.181 -14.468 5.606 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 5 -ATOM 7865 H H . SER A 1 91 ? -0.653 -11.936 5.247 1.00 0.00 ? ? ? ? ? ? 88 SER A H 5 -ATOM 7866 H HA . SER A 1 91 ? 1.216 -13.870 4.510 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 5 -ATOM 7867 H HB2 . SER A 1 91 ? -1.718 -13.715 3.774 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 5 -ATOM 7868 H HB3 . SER A 1 91 ? -0.715 -15.164 3.731 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 5 -ATOM 7869 H HG . SER A 1 91 ? -1.342 -13.621 6.040 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 5 -ATOM 7870 N N . GLU A 1 92 ? -0.175 -12.281 1.964 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 5 -ATOM 7871 C CA . GLU A 1 92 ? -0.006 -12.000 0.558 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 5 -ATOM 7872 C C . GLU A 1 92 ? 1.211 -11.136 0.291 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 5 -ATOM 7873 O O . GLU A 1 92 ? 1.902 -11.333 -0.706 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 5 -ATOM 7874 C CB . GLU A 1 92 ? -1.261 -11.399 -0.067 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 5 -ATOM 7875 C CG . GLU A 1 92 ? -2.454 -12.334 -0.032 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 5 -ATOM 7876 C CD . GLU A 1 92 ? -3.569 -11.886 -0.937 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 5 -ATOM 7877 O OE1 . GLU A 1 92 ? -3.404 -11.990 -2.182 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 5 -ATOM 7878 O OE2 . GLU A 1 92 ? -4.632 -11.441 -0.442 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 5 -ATOM 7879 H H . GLU A 1 92 ? -0.927 -11.878 2.445 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 5 -ATOM 7880 H HA . GLU A 1 92 ? 0.179 -12.955 0.088 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 5 -ATOM 7881 H HB2 . GLU A 1 92 ? -1.518 -10.493 0.465 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 5 -ATOM 7882 H HB3 . GLU A 1 92 ? -1.053 -11.154 -1.097 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 5 -ATOM 7883 H HG2 . GLU A 1 92 ? -2.132 -13.315 -0.351 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 5 -ATOM 7884 H HG3 . GLU A 1 92 ? -2.827 -12.392 0.980 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 5 -ATOM 7885 N N . ALA A 1 93 ? 1.495 -10.211 1.190 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 5 -ATOM 7886 C CA . ALA A 1 93 ? 2.636 -9.339 1.031 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 5 -ATOM 7887 C C . ALA A 1 93 ? 3.945 -10.113 1.101 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 5 -ATOM 7888 O O . ALA A 1 93 ? 4.790 -9.995 0.209 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 5 -ATOM 7889 C CB . ALA A 1 93 ? 2.623 -8.209 2.050 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 5 -ATOM 7890 H H . ALA A 1 93 ? 0.912 -10.103 1.972 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 5 -ATOM 7891 H HA . ALA A 1 93 ? 2.556 -8.906 0.047 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 5 -ATOM 7892 H HB1 . ALA A 1 93 ? 3.438 -7.531 1.849 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 5 -ATOM 7893 H HB2 . ALA A 1 93 ? 2.729 -8.619 3.044 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 5 -ATOM 7894 H HB3 . ALA A 1 93 ? 1.687 -7.676 1.980 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 5 -ATOM 7895 N N . VAL A 1 94 ? 4.096 -10.946 2.121 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 5 -ATOM 7896 C CA . VAL A 1 94 ? 5.334 -11.682 2.298 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 5 -ATOM 7897 C C . VAL A 1 94 ? 5.513 -12.731 1.195 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 5 -ATOM 7898 O O . VAL A 1 94 ? 6.611 -12.914 0.687 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 5 -ATOM 7899 C CB . VAL A 1 94 ? 5.482 -12.309 3.729 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 5 -ATOM 7900 C CG1 . VAL A 1 94 ? 4.508 -13.449 3.983 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 5 -ATOM 7901 C CG2 . VAL A 1 94 ? 6.918 -12.737 4.000 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 5 -ATOM 7902 H H . VAL A 1 94 ? 3.363 -11.064 2.767 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 5 -ATOM 7903 H HA . VAL A 1 94 ? 6.126 -10.961 2.155 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 5 -ATOM 7904 H HB . VAL A 1 94 ? 5.234 -11.531 4.436 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 5 -ATOM 7905 H HG11 . VAL A 1 94 ? 4.666 -13.844 4.975 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 5 -ATOM 7906 H HG12 . VAL A 1 94 ? 4.669 -14.227 3.252 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 5 -ATOM 7907 H HG13 . VAL A 1 94 ? 3.495 -13.086 3.896 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 5 -ATOM 7908 H HG21 . VAL A 1 94 ? 6.987 -13.168 4.987 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 5 -ATOM 7909 H HG22 . VAL A 1 94 ? 7.570 -11.879 3.938 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 5 -ATOM 7910 H HG23 . VAL A 1 94 ? 7.216 -13.471 3.266 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 5 -ATOM 7911 N N . LYS A 1 95 ? 4.422 -13.358 0.772 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 5 -ATOM 7912 C CA . LYS A 1 95 ? 4.491 -14.363 -0.276 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 5 -ATOM 7913 C C . LYS A 1 95 ? 4.632 -13.737 -1.659 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 5 -ATOM 7914 O O . LYS A 1 95 ? 4.864 -14.431 -2.653 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 5 -ATOM 7915 C CB . LYS A 1 95 ? 3.321 -15.350 -0.222 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 5 -ATOM 7916 C CG . LYS A 1 95 ? 3.277 -16.213 1.050 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 5 -ATOM 7917 C CD . LYS A 1 95 ? 4.595 -16.967 1.298 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 5 -ATOM 7918 C CE . LYS A 1 95 ? 5.008 -17.842 0.112 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 5 -ATOM 7919 N NZ . LYS A 1 95 ? 4.040 -18.927 -0.176 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 5 -ATOM 7920 H H . LYS A 1 95 ? 3.551 -13.153 1.183 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 5 -ATOM 7921 H HA . LYS A 1 95 ? 5.406 -14.908 -0.098 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 5 -ATOM 7922 H HB2 . LYS A 1 95 ? 2.399 -14.791 -0.282 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 5 -ATOM 7923 H HB3 . LYS A 1 95 ? 3.380 -16.008 -1.077 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 5 -ATOM 7924 H HG2 . LYS A 1 95 ? 3.085 -15.569 1.896 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 5 -ATOM 7925 H HG3 . LYS A 1 95 ? 2.473 -16.927 0.958 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 5 -ATOM 7926 H HD2 . LYS A 1 95 ? 5.382 -16.256 1.494 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 5 -ATOM 7927 H HD3 . LYS A 1 95 ? 4.468 -17.598 2.165 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 5 -ATOM 7928 H HE2 . LYS A 1 95 ? 5.089 -17.214 -0.763 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 5 -ATOM 7929 H HE3 . LYS A 1 95 ? 5.976 -18.272 0.320 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 5 -ATOM 7930 H HZ1 . LYS A 1 95 ? 3.972 -19.603 0.611 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 5 -ATOM 7931 H HZ2 . LYS A 1 95 ? 4.356 -19.436 -1.026 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 5 -ATOM 7932 H HZ3 . LYS A 1 95 ? 3.097 -18.537 -0.374 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 5 -ATOM 7933 N N . ARG A 1 96 ? 4.448 -12.443 -1.740 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 5 -ATOM 7934 C CA . ARG A 1 96 ? 4.649 -11.757 -2.989 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 5 -ATOM 7935 C C . ARG A 1 96 ? 6.126 -11.467 -3.156 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 5 -ATOM 7936 O O . ARG A 1 96 ? 6.684 -11.533 -4.268 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 5 -ATOM 7937 C CB . ARG A 1 96 ? 3.822 -10.473 -3.057 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 5 -ATOM 7938 C CG . ARG A 1 96 ? 3.766 -9.842 -4.437 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 5 -ATOM 7939 C CD . ARG A 1 96 ? 3.226 -10.837 -5.452 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 5 -ATOM 7940 N NE . ARG A 1 96 ? 2.992 -10.232 -6.744 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 5 -ATOM 7941 C CZ . ARG A 1 96 ? 2.975 -10.863 -7.912 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 5 -ATOM 7942 N NH1 . ARG A 1 96 ? 3.350 -12.142 -8.012 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 5 -ATOM 7943 N NH2 . ARG A 1 96 ? 2.624 -10.185 -8.980 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 5 -ATOM 7944 H H . ARG A 1 96 ? 4.145 -11.946 -0.949 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 5 -ATOM 7945 H HA . ARG A 1 96 ? 4.345 -12.426 -3.773 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 5 -ATOM 7946 H HB2 . ARG A 1 96 ? 2.812 -10.691 -2.741 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 5 -ATOM 7947 H HB3 . ARG A 1 96 ? 4.249 -9.753 -2.374 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 5 -ATOM 7948 H HG2 . ARG A 1 96 ? 3.116 -8.981 -4.412 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 5 -ATOM 7949 H HG3 . ARG A 1 96 ? 4.760 -9.543 -4.732 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 5 -ATOM 7950 H HD2 . ARG A 1 96 ? 3.953 -11.624 -5.585 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 5 -ATOM 7951 H HD3 . ARG A 1 96 ? 2.301 -11.255 -5.082 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 5 -ATOM 7952 H HE . ARG A 1 96 ? 2.777 -9.264 -6.747 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 5 -ATOM 7953 H HH11 . ARG A 1 96 ? 3.661 -12.667 -7.216 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 5 -ATOM 7954 H HH12 . ARG A 1 96 ? 3.340 -12.621 -8.895 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 5 -ATOM 7955 H HH21 . ARG A 1 96 ? 2.398 -9.212 -8.845 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 5 -ATOM 7956 H HH22 . ARG A 1 96 ? 2.520 -10.570 -9.903 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 5 -ATOM 7957 N N . ILE A 1 97 ? 6.757 -11.199 -2.052 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 5 -ATOM 7958 C CA . ILE A 1 97 ? 8.160 -10.916 -2.019 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 5 -ATOM 7959 C C . ILE A 1 97 ? 8.953 -12.223 -2.097 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 5 -ATOM 7960 O O . ILE A 1 97 ? 9.847 -12.361 -2.927 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 5 -ATOM 7961 C CB . ILE A 1 97 ? 8.509 -10.124 -0.740 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 5 -ATOM 7962 C CG1 . ILE A 1 97 ? 7.685 -8.831 -0.728 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 5 -ATOM 7963 C CG2 . ILE A 1 97 ? 10.005 -9.811 -0.684 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 5 -ATOM 7964 C CD1 . ILE A 1 97 ? 7.752 -8.068 0.560 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 5 -ATOM 7965 H H . ILE A 1 97 ? 6.246 -11.186 -1.214 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 5 -ATOM 7966 H HA . ILE A 1 97 ? 8.395 -10.307 -2.878 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 5 -ATOM 7967 H HB . ILE A 1 97 ? 8.239 -10.710 0.126 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 5 -ATOM 7968 H HG12 . ILE A 1 97 ? 8.042 -8.177 -1.511 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 5 -ATOM 7969 H HG13 . ILE A 1 97 ? 6.651 -9.075 -0.921 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 5 -ATOM 7970 H HG21 . ILE A 1 97 ? 10.226 -9.262 0.220 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 5 -ATOM 7971 H HG22 . ILE A 1 97 ? 10.280 -9.219 -1.544 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 5 -ATOM 7972 H HG23 . ILE A 1 97 ? 10.561 -10.736 -0.691 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 5 -ATOM 7973 H HD11 . ILE A 1 97 ? 7.150 -7.177 0.469 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 5 -ATOM 7974 H HD12 . ILE A 1 97 ? 8.778 -7.814 0.780 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 5 -ATOM 7975 H HD13 . ILE A 1 97 ? 7.344 -8.700 1.334 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 5 -ATOM 7976 N N . LEU A 1 98 ? 8.584 -13.185 -1.277 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 5 -ATOM 7977 C CA . LEU A 1 98 ? 9.262 -14.467 -1.248 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 5 -ATOM 7978 C C . LEU A 1 98 ? 8.806 -15.342 -2.395 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 5 -ATOM 7979 O O . LEU A 1 98 ? 9.418 -15.266 -3.479 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 5 -ATOM 7980 C CB . LEU A 1 98 ? 9.042 -15.182 0.087 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 5 -ATOM 7981 C CG . LEU A 1 98 ? 9.601 -14.483 1.323 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 5 -ATOM 7982 C CD1 . LEU A 1 98 ? 9.272 -15.280 2.565 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 5 -ATOM 7983 C CD2 . LEU A 1 98 ? 11.103 -14.300 1.198 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 5 -ATOM 7984 O OXT . LEU A 1 98 ? 7.855 -16.122 -2.242 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 5 -ATOM 7985 H H . LEU A 1 98 ? 7.825 -13.050 -0.667 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 5 -ATOM 7986 H HA . LEU A 1 98 ? 10.318 -14.280 -1.371 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 5 -ATOM 7987 H HB2 . LEU A 1 98 ? 7.978 -15.304 0.226 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 5 -ATOM 7988 H HB3 . LEU A 1 98 ? 9.491 -16.162 0.022 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 5 -ATOM 7989 H HG . LEU A 1 98 ? 9.145 -13.508 1.420 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 5 -ATOM 7990 H HD11 . LEU A 1 98 ? 9.725 -16.258 2.502 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 5 -ATOM 7991 H HD12 . LEU A 1 98 ? 8.201 -15.388 2.648 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 5 -ATOM 7992 H HD13 . LEU A 1 98 ? 9.648 -14.761 3.435 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 5 -ATOM 7993 H HD21 . LEU A 1 98 ? 11.570 -15.266 1.079 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 5 -ATOM 7994 H HD22 . LEU A 1 98 ? 11.475 -13.829 2.096 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 5 -ATOM 7995 H HD23 . LEU A 1 98 ? 11.329 -13.678 0.345 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 5 -ATOM 7996 N N . MET A 1 4 ? 10.761 15.733 -2.178 1.00 0.00 ? ? ? ? ? ? 1 MET A N 6 -ATOM 7997 C CA . MET A 1 4 ? 11.071 14.554 -2.953 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 6 -ATOM 7998 C C . MET A 1 4 ? 9.784 13.797 -3.125 1.00 0.00 ? ? ? ? ? ? 1 MET A C 6 -ATOM 7999 O O . MET A 1 4 ? 8.932 13.852 -2.250 1.00 0.00 ? ? ? ? ? ? 1 MET A O 6 -ATOM 8000 C CB . MET A 1 4 ? 12.095 13.687 -2.213 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 6 -ATOM 8001 C CG . MET A 1 4 ? 12.599 12.486 -3.002 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 6 -ATOM 8002 S SD . MET A 1 4 ? 13.770 11.484 -2.069 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 6 -ATOM 8003 C CE . MET A 1 4 ? 14.187 10.241 -3.284 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 6 -ATOM 8004 H H . MET A 1 4 ? 11.600 16.306 -1.969 1.00 0.00 ? ? ? ? ? ? 1 MET A H 6 -ATOM 8005 H HA . MET A 1 4 ? 11.459 14.863 -3.911 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 6 -ATOM 8006 H HB2 . MET A 1 4 ? 12.947 14.295 -1.949 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 6 -ATOM 8007 H HB3 . MET A 1 4 ? 11.628 13.321 -1.312 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 6 -ATOM 8008 H HG2 . MET A 1 4 ? 11.757 11.867 -3.274 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 6 -ATOM 8009 H HG3 . MET A 1 4 ? 13.088 12.842 -3.896 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 6 -ATOM 8010 H HE1 . MET A 1 4 ? 14.631 10.716 -4.147 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 6 -ATOM 8011 H HE2 . MET A 1 4 ? 13.295 9.712 -3.583 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 6 -ATOM 8012 H HE3 . MET A 1 4 ? 14.894 9.547 -2.853 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 6 -ATOM 8013 N N . ALA A 1 5 ? 9.618 13.141 -4.235 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 6 -ATOM 8014 C CA . ALA A 1 5 ? 8.435 12.366 -4.487 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 6 -ATOM 8015 C C . ALA A 1 5 ? 8.814 11.024 -5.065 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 6 -ATOM 8016 O O . ALA A 1 5 ? 9.795 10.908 -5.815 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 6 -ATOM 8017 C CB . ALA A 1 5 ? 7.488 13.106 -5.424 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 6 -ATOM 8018 H H . ALA A 1 5 ? 10.318 13.172 -4.923 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 6 -ATOM 8019 H HA . ALA A 1 5 ? 7.933 12.211 -3.544 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 6 -ATOM 8020 H HB1 . ALA A 1 5 ? 7.232 14.065 -4.998 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 6 -ATOM 8021 H HB2 . ALA A 1 5 ? 6.590 12.520 -5.557 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 6 -ATOM 8022 H HB3 . ALA A 1 5 ? 7.969 13.252 -6.380 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 6 -ATOM 8023 N N . TYR A 1 6 ? 8.086 10.021 -4.683 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 6 -ATOM 8024 C CA . TYR A 1 6 ? 8.287 8.682 -5.180 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 6 -ATOM 8025 C C . TYR A 1 6 ? 7.163 8.335 -6.132 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 6 -ATOM 8026 O O . TYR A 1 6 ? 6.172 9.071 -6.228 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 6 -ATOM 8027 C CB . TYR A 1 6 ? 8.332 7.660 -4.027 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 6 -ATOM 8028 C CG . TYR A 1 6 ? 9.540 7.761 -3.102 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 6 -ATOM 8029 C CD1 . TYR A 1 6 ? 9.836 8.933 -2.408 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 6 -ATOM 8030 C CD2 . TYR A 1 6 ? 10.363 6.664 -2.901 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 6 -ATOM 8031 C CE1 . TYR A 1 6 ? 10.911 9.005 -1.553 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 6 -ATOM 8032 C CE2 . TYR A 1 6 ? 11.444 6.731 -2.048 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 6 -ATOM 8033 C CZ . TYR A 1 6 ? 11.714 7.902 -1.376 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 6 -ATOM 8034 O OH . TYR A 1 6 ? 12.780 7.963 -0.506 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 6 -ATOM 8035 H H . TYR A 1 6 ? 7.369 10.183 -4.035 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 6 -ATOM 8036 H HA . TYR A 1 6 ? 9.225 8.658 -5.713 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 6 -ATOM 8037 H HB2 . TYR A 1 6 ? 7.448 7.766 -3.418 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 6 -ATOM 8038 H HB3 . TYR A 1 6 ? 8.333 6.671 -4.459 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 6 -ATOM 8039 H HD1 . TYR A 1 6 ? 9.204 9.798 -2.550 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 6 -ATOM 8040 H HD2 . TYR A 1 6 ? 10.153 5.745 -3.429 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 6 -ATOM 8041 H HE1 . TYR A 1 6 ? 11.122 9.923 -1.026 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 6 -ATOM 8042 H HE2 . TYR A 1 6 ? 12.076 5.868 -1.907 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 6 -ATOM 8043 H HH . TYR A 1 6 ? 13.468 7.375 -0.870 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 6 -ATOM 8044 N N . PHE A 1 7 ? 7.317 7.254 -6.834 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 6 -ATOM 8045 C CA . PHE A 1 7 ? 6.322 6.791 -7.770 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 6 -ATOM 8046 C C . PHE A 1 7 ? 5.420 5.792 -7.081 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 6 -ATOM 8047 O O . PHE A 1 7 ? 5.785 5.268 -6.055 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 6 -ATOM 8048 C CB . PHE A 1 7 ? 7.018 6.186 -8.989 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 6 -ATOM 8049 C CG . PHE A 1 7 ? 7.870 7.197 -9.700 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 6 -ATOM 8050 C CD1 . PHE A 1 7 ? 7.291 8.194 -10.463 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 6 -ATOM 8051 C CD2 . PHE A 1 7 ? 9.246 7.167 -9.584 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 6 -ATOM 8052 C CE1 . PHE A 1 7 ? 8.065 9.139 -11.095 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 6 -ATOM 8053 C CE2 . PHE A 1 7 ? 10.026 8.107 -10.213 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 6 -ATOM 8054 C CZ . PHE A 1 7 ? 9.437 9.097 -10.970 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 6 -ATOM 8055 H H . PHE A 1 7 ? 8.141 6.727 -6.724 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 6 -ATOM 8056 H HA . PHE A 1 7 ? 5.734 7.640 -8.080 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 6 -ATOM 8057 H HB2 . PHE A 1 7 ? 7.667 5.396 -8.639 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 6 -ATOM 8058 H HB3 . PHE A 1 7 ? 6.308 5.764 -9.683 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 6 -ATOM 8059 H HD1 . PHE A 1 7 ? 6.217 8.230 -10.559 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 6 -ATOM 8060 H HD2 . PHE A 1 7 ? 9.712 6.392 -8.991 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 6 -ATOM 8061 H HE1 . PHE A 1 7 ? 7.599 9.911 -11.687 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 6 -ATOM 8062 H HE2 . PHE A 1 7 ? 11.100 8.067 -10.113 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 6 -ATOM 8063 H HZ . PHE A 1 7 ? 10.048 9.838 -11.463 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 6 -ATOM 8064 N N . LEU A 1 8 ? 4.248 5.559 -7.610 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 6 -ATOM 8065 C CA . LEU A 1 8 ? 3.320 4.625 -6.992 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 6 -ATOM 8066 C C . LEU A 1 8 ? 2.908 3.588 -8.039 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 6 -ATOM 8067 O O . LEU A 1 8 ? 2.584 3.951 -9.181 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 6 -ATOM 8068 C CB . LEU A 1 8 ? 2.082 5.416 -6.462 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 6 -ATOM 8069 C CG . LEU A 1 8 ? 1.157 4.758 -5.384 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 6 -ATOM 8070 C CD1 . LEU A 1 8 ? 0.469 3.500 -5.865 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 6 -ATOM 8071 C CD2 . LEU A 1 8 ? 1.916 4.480 -4.105 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 6 -ATOM 8072 H H . LEU A 1 8 ? 3.973 6.017 -8.433 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 6 -ATOM 8073 H HA . LEU A 1 8 ? 3.820 4.139 -6.167 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 6 -ATOM 8074 H HB2 . LEU A 1 8 ? 2.442 6.348 -6.052 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 6 -ATOM 8075 H HB3 . LEU A 1 8 ? 1.470 5.655 -7.318 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 6 -ATOM 8076 H HG . LEU A 1 8 ? 0.375 5.465 -5.147 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 6 -ATOM 8077 H HD11 . LEU A 1 8 ? -0.194 3.733 -6.685 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 6 -ATOM 8078 H HD12 . LEU A 1 8 ? -0.087 3.071 -5.044 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 6 -ATOM 8079 H HD13 . LEU A 1 8 ? 1.217 2.793 -6.191 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 6 -ATOM 8080 H HD21 . LEU A 1 8 ? 2.738 3.811 -4.311 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 6 -ATOM 8081 H HD22 . LEU A 1 8 ? 1.250 4.012 -3.395 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 6 -ATOM 8082 H HD23 . LEU A 1 8 ? 2.290 5.403 -3.688 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 6 -ATOM 8083 N N . ASP A 1 9 ? 2.949 2.324 -7.683 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 6 -ATOM 8084 C CA . ASP A 1 9 ? 2.501 1.256 -8.577 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 6 -ATOM 8085 C C . ASP A 1 9 ? 1.784 0.196 -7.757 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 6 -ATOM 8086 O O . ASP A 1 9 ? 2.002 0.099 -6.548 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 6 -ATOM 8087 C CB . ASP A 1 9 ? 3.678 0.641 -9.358 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 6 -ATOM 8088 C CG . ASP A 1 9 ? 3.222 -0.269 -10.491 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 6 -ATOM 8089 O OD1 . ASP A 1 9 ? 2.283 0.104 -11.217 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 6 -ATOM 8090 O OD2 . ASP A 1 9 ? 3.842 -1.317 -10.742 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 6 -ATOM 8091 H H . ASP A 1 9 ? 3.282 2.078 -6.788 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 6 -ATOM 8092 H HA . ASP A 1 9 ? 1.793 1.690 -9.268 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 6 -ATOM 8093 H HB2 . ASP A 1 9 ? 4.286 1.430 -9.775 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 6 -ATOM 8094 H HB3 . ASP A 1 9 ? 4.268 0.054 -8.670 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 6 -ATOM 8095 N N . PHE A 1 10 ? 0.933 -0.572 -8.383 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 6 -ATOM 8096 C CA . PHE A 1 10 ? 0.139 -1.566 -7.677 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 6 -ATOM 8097 C C . PHE A 1 10 ? 0.479 -2.964 -8.144 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 6 -ATOM 8098 O O . PHE A 1 10 ? 0.832 -3.173 -9.305 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 6 -ATOM 8099 C CB . PHE A 1 10 ? -1.365 -1.342 -7.908 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 6 -ATOM 8100 C CG . PHE A 1 10 ? -1.928 -0.036 -7.414 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 6 -ATOM 8101 C CD1 . PHE A 1 10 ? -1.936 1.086 -8.227 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 6 -ATOM 8102 C CD2 . PHE A 1 10 ? -2.473 0.060 -6.146 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 6 -ATOM 8103 C CE1 . PHE A 1 10 ? -2.475 2.277 -7.785 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 6 -ATOM 8104 C CE2 . PHE A 1 10 ? -3.010 1.250 -5.696 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 6 -ATOM 8105 C CZ . PHE A 1 10 ? -3.012 2.359 -6.516 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 6 -ATOM 8106 H H . PHE A 1 10 ? 0.858 -0.501 -9.358 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 6 -ATOM 8107 H HA . PHE A 1 10 ? 0.339 -1.476 -6.621 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 6 -ATOM 8108 H HB2 . PHE A 1 10 ? -1.559 -1.393 -8.969 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 6 -ATOM 8109 H HB3 . PHE A 1 10 ? -1.906 -2.143 -7.426 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 6 -ATOM 8110 H HD1 . PHE A 1 10 ? -1.513 1.020 -9.219 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 6 -ATOM 8111 H HD2 . PHE A 1 10 ? -2.473 -0.806 -5.504 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 6 -ATOM 8112 H HE1 . PHE A 1 10 ? -2.476 3.144 -8.429 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 6 -ATOM 8113 H HE2 . PHE A 1 10 ? -3.431 1.312 -4.702 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 6 -ATOM 8114 H HZ . PHE A 1 10 ? -3.435 3.291 -6.167 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 6 -ATOM 8115 N N . ASP A 1 11 ? 0.385 -3.904 -7.238 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 6 -ATOM 8116 C CA . ASP A 1 11 ? 0.534 -5.319 -7.555 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 6 -ATOM 8117 C C . ASP A 1 11 ? -0.717 -5.757 -8.296 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 6 -ATOM 8118 O O . ASP A 1 11 ? -1.781 -5.141 -8.126 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 6 -ATOM 8119 C CB . ASP A 1 11 ? 0.670 -6.141 -6.263 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 6 -ATOM 8120 C CG . ASP A 1 11 ? 1.079 -7.578 -6.503 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 6 -ATOM 8121 O OD1 . ASP A 1 11 ? 0.215 -8.431 -6.819 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 6 -ATOM 8122 O OD2 . ASP A 1 11 ? 2.272 -7.885 -6.355 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 6 -ATOM 8123 H H . ASP A 1 11 ? 0.236 -3.656 -6.300 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 6 -ATOM 8124 H HA . ASP A 1 11 ? 1.406 -5.457 -8.177 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 6 -ATOM 8125 H HB2 . ASP A 1 11 ? 1.409 -5.679 -5.627 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 6 -ATOM 8126 H HB3 . ASP A 1 11 ? -0.281 -6.137 -5.751 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 6 -ATOM 8127 N N . GLU A 1 12 ? -0.617 -6.788 -9.101 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 6 -ATOM 8128 C CA . GLU A 1 12 ? -1.750 -7.259 -9.871 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 6 -ATOM 8129 C C . GLU A 1 12 ? -2.894 -7.726 -8.939 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 6 -ATOM 8130 O O . GLU A 1 12 ? -4.075 -7.573 -9.267 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 6 -ATOM 8131 C CB . GLU A 1 12 ? -1.306 -8.344 -10.878 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 6 -ATOM 8132 C CG . GLU A 1 12 ? -0.929 -9.684 -10.288 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 6 -ATOM 8133 C CD . GLU A 1 12 ? -2.031 -10.682 -10.450 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 6 -ATOM 8134 O OE1 . GLU A 1 12 ? -2.974 -10.688 -9.641 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 6 -ATOM 8135 O OE2 . GLU A 1 12 ? -2.002 -11.457 -11.399 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 6 -ATOM 8136 H H . GLU A 1 12 ? 0.245 -7.249 -9.168 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 6 -ATOM 8137 H HA . GLU A 1 12 ? -2.117 -6.403 -10.418 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 6 -ATOM 8138 H HB2 . GLU A 1 12 ? -2.116 -8.515 -11.570 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 6 -ATOM 8139 H HB3 . GLU A 1 12 ? -0.461 -7.964 -11.431 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 6 -ATOM 8140 H HG2 . GLU A 1 12 ? -0.031 -10.066 -10.749 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 6 -ATOM 8141 H HG3 . GLU A 1 12 ? -0.778 -9.547 -9.228 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 6 -ATOM 8142 N N . ARG A 1 13 ? -2.533 -8.264 -7.770 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 6 -ATOM 8143 C CA . ARG A 1 13 ? -3.506 -8.657 -6.754 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 6 -ATOM 8144 C C . ARG A 1 13 ? -4.183 -7.436 -6.207 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 6 -ATOM 8145 O O . ARG A 1 13 ? -5.415 -7.368 -6.108 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 6 -ATOM 8146 C CB . ARG A 1 13 ? -2.798 -9.364 -5.619 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 6 -ATOM 8147 C CG . ARG A 1 13 ? -2.405 -10.787 -5.896 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 6 -ATOM 8148 C CD . ARG A 1 13 ? -3.519 -11.750 -5.531 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 6 -ATOM 8149 N NE . ARG A 1 13 ? -4.727 -11.642 -6.356 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 6 -ATOM 8150 C CZ . ARG A 1 13 ? -5.979 -11.544 -5.866 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 6 -ATOM 8151 N NH1 . ARG A 1 13 ? -6.189 -11.295 -4.571 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 6 -ATOM 8152 N NH2 . ARG A 1 13 ? -7.009 -11.693 -6.673 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 6 -ATOM 8153 H H . ARG A 1 13 ? -1.576 -8.404 -7.581 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 6 -ATOM 8154 H HA . ARG A 1 13 ? -4.232 -9.327 -7.192 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 6 -ATOM 8155 H HB2 . ARG A 1 13 ? -1.904 -8.811 -5.376 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 6 -ATOM 8156 H HB3 . ARG A 1 13 ? -3.453 -9.355 -4.761 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 6 -ATOM 8157 H HG2 . ARG A 1 13 ? -2.168 -10.897 -6.944 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 6 -ATOM 8158 H HG3 . ARG A 1 13 ? -1.537 -11.024 -5.299 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 6 -ATOM 8159 H HD2 . ARG A 1 13 ? -3.133 -12.752 -5.615 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 6 -ATOM 8160 H HD3 . ARG A 1 13 ? -3.775 -11.544 -4.503 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 6 -ATOM 8161 H HE . ARG A 1 13 ? -4.559 -11.755 -7.321 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 6 -ATOM 8162 H HH11 . ARG A 1 13 ? -5.445 -11.171 -3.907 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 6 -ATOM 8163 H HH12 . ARG A 1 13 ? -7.107 -11.234 -4.174 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 6 -ATOM 8164 H HH21 . ARG A 1 13 ? -6.889 -11.889 -7.652 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 6 -ATOM 8165 H HH22 . ARG A 1 13 ? -7.961 -11.635 -6.361 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 6 -ATOM 8166 N N . ALA A 1 14 ? -3.360 -6.456 -5.899 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 6 -ATOM 8167 C CA . ALA A 1 14 ? -3.803 -5.199 -5.343 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 6 -ATOM 8168 C C . ALA A 1 14 ? -4.773 -4.497 -6.276 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 6 -ATOM 8169 O O . ALA A 1 14 ? -5.723 -3.916 -5.820 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 6 -ATOM 8170 C CB . ALA A 1 14 ? -2.617 -4.302 -5.018 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 6 -ATOM 8171 H H . ALA A 1 14 ? -2.407 -6.614 -6.057 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 6 -ATOM 8172 H HA . ALA A 1 14 ? -4.319 -5.422 -4.422 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 6 -ATOM 8173 H HB1 . ALA A 1 14 ? -1.946 -4.821 -4.348 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 6 -ATOM 8174 H HB2 . ALA A 1 14 ? -2.966 -3.395 -4.550 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 6 -ATOM 8175 H HB3 . ALA A 1 14 ? -2.093 -4.057 -5.930 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 6 -ATOM 8176 N N . LEU A 1 15 ? -4.550 -4.611 -7.585 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 6 -ATOM 8177 C CA . LEU A 1 15 ? -5.423 -3.995 -8.576 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 6 -ATOM 8178 C C . LEU A 1 15 ? -6.811 -4.596 -8.536 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 6 -ATOM 8179 O O . LEU A 1 15 ? -7.809 -3.887 -8.607 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 6 -ATOM 8180 C CB . LEU A 1 15 ? -4.839 -4.130 -9.977 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 6 -ATOM 8181 C CG . LEU A 1 15 ? -3.650 -3.230 -10.310 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 6 -ATOM 8182 C CD1 . LEU A 1 15 ? -3.103 -3.576 -11.685 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 6 -ATOM 8183 C CD2 . LEU A 1 15 ? -4.080 -1.767 -10.270 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 6 -ATOM 8184 H H . LEU A 1 15 ? -3.775 -5.126 -7.900 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 6 -ATOM 8185 H HA . LEU A 1 15 ? -5.502 -2.947 -8.333 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 6 -ATOM 8186 H HB2 . LEU A 1 15 ? -4.528 -5.157 -10.105 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 6 -ATOM 8187 H HB3 . LEU A 1 15 ? -5.628 -3.929 -10.682 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 6 -ATOM 8188 H HG . LEU A 1 15 ? -2.868 -3.375 -9.580 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 6 -ATOM 8189 H HD11 . LEU A 1 15 ? -3.876 -3.428 -12.425 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 6 -ATOM 8190 H HD12 . LEU A 1 15 ? -2.784 -4.607 -11.698 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 6 -ATOM 8191 H HD13 . LEU A 1 15 ? -2.263 -2.935 -11.912 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 6 -ATOM 8192 H HD21 . LEU A 1 15 ? -3.242 -1.139 -10.536 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 6 -ATOM 8193 H HD22 . LEU A 1 15 ? -4.419 -1.505 -9.279 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 6 -ATOM 8194 H HD23 . LEU A 1 15 ? -4.885 -1.604 -10.972 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 6 -ATOM 8195 N N . LYS A 1 16 ? -6.862 -5.889 -8.379 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 6 -ATOM 8196 C CA . LYS A 1 16 ? -8.111 -6.616 -8.331 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 6 -ATOM 8197 C C . LYS A 1 16 ? -8.893 -6.233 -7.085 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 6 -ATOM 8198 O O . LYS A 1 16 ? -10.103 -6.008 -7.137 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 6 -ATOM 8199 C CB . LYS A 1 16 ? -7.815 -8.105 -8.360 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 6 -ATOM 8200 C CG . LYS A 1 16 ? -7.134 -8.536 -9.644 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 6 -ATOM 8201 C CD . LYS A 1 16 ? -6.573 -9.926 -9.535 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 6 -ATOM 8202 C CE . LYS A 1 16 ? -5.954 -10.381 -10.851 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 6 -ATOM 8203 N NZ . LYS A 1 16 ? -4.844 -9.519 -11.264 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 6 -ATOM 8204 H H . LYS A 1 16 ? -6.020 -6.381 -8.281 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 6 -ATOM 8205 H HA . LYS A 1 16 ? -8.686 -6.356 -9.207 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 6 -ATOM 8206 H HB2 . LYS A 1 16 ? -7.170 -8.350 -7.528 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 6 -ATOM 8207 H HB3 . LYS A 1 16 ? -8.739 -8.653 -8.265 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 6 -ATOM 8208 H HG2 . LYS A 1 16 ? -7.854 -8.516 -10.450 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 6 -ATOM 8209 H HG3 . LYS A 1 16 ? -6.332 -7.845 -9.859 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 6 -ATOM 8210 H HD2 . LYS A 1 16 ? -5.799 -9.885 -8.782 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 6 -ATOM 8211 H HD3 . LYS A 1 16 ? -7.351 -10.608 -9.232 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 6 -ATOM 8212 H HE2 . LYS A 1 16 ? -5.537 -11.365 -10.698 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 6 -ATOM 8213 H HE3 . LYS A 1 16 ? -6.704 -10.405 -11.626 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 6 -ATOM 8214 H HZ1 . LYS A 1 16 ? -5.114 -8.517 -11.326 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 6 -ATOM 8215 H HZ2 . LYS A 1 16 ? -4.474 -9.815 -12.191 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 6 -ATOM 8216 H HZ3 . LYS A 1 16 ? -4.079 -9.629 -10.564 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 6 -ATOM 8217 N N . GLU A 1 17 ? -8.200 -6.146 -5.974 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 6 -ATOM 8218 C CA . GLU A 1 17 ? -8.804 -5.739 -4.723 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 6 -ATOM 8219 C C . GLU A 1 17 ? -9.194 -4.245 -4.749 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 6 -ATOM 8220 O O . GLU A 1 17 ? -10.226 -3.860 -4.233 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 6 -ATOM 8221 C CB . GLU A 1 17 ? -7.870 -6.071 -3.572 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 6 -ATOM 8222 C CG . GLU A 1 17 ? -7.618 -7.571 -3.432 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 6 -ATOM 8223 C CD . GLU A 1 17 ? -8.848 -8.337 -2.973 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 6 -ATOM 8224 O OE1 . GLU A 1 17 ? -9.719 -8.657 -3.799 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 6 -ATOM 8225 O OE2 . GLU A 1 17 ? -8.982 -8.605 -1.759 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 6 -ATOM 8226 H H . GLU A 1 17 ? -7.246 -6.386 -5.980 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 6 -ATOM 8227 H HA . GLU A 1 17 ? -9.711 -6.315 -4.615 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 6 -ATOM 8228 H HB2 . GLU A 1 17 ? -6.925 -5.576 -3.739 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 6 -ATOM 8229 H HB3 . GLU A 1 17 ? -8.302 -5.714 -2.650 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 6 -ATOM 8230 H HG2 . GLU A 1 17 ? -7.332 -7.947 -4.403 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 6 -ATOM 8231 H HG3 . GLU A 1 17 ? -6.806 -7.734 -2.741 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 6 -ATOM 8232 N N . TRP A 1 18 ? -8.367 -3.438 -5.381 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 6 -ATOM 8233 C CA . TRP A 1 18 ? -8.592 -1.990 -5.570 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 6 -ATOM 8234 C C . TRP A 1 18 ? -9.870 -1.738 -6.378 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 6 -ATOM 8235 O O . TRP A 1 18 ? -10.673 -0.842 -6.069 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 6 -ATOM 8236 C CB . TRP A 1 18 ? -7.362 -1.422 -6.309 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 6 -ATOM 8237 C CG . TRP A 1 18 ? -7.436 0.001 -6.749 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 6 -ATOM 8238 C CD1 . TRP A 1 18 ? -7.820 0.456 -7.977 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 6 -ATOM 8239 C CD2 . TRP A 1 18 ? -7.070 1.147 -5.989 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 6 -ATOM 8240 N NE1 . TRP A 1 18 ? -7.743 1.820 -8.019 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 6 -ATOM 8241 C CE2 . TRP A 1 18 ? -7.276 2.273 -6.810 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 6 -ATOM 8242 C CE3 . TRP A 1 18 ? -6.593 1.333 -4.690 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 6 -ATOM 8243 C CZ2 . TRP A 1 18 ? -7.020 3.565 -6.370 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 6 -ATOM 8244 C CZ3 . TRP A 1 18 ? -6.337 2.612 -4.258 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 6 -ATOM 8245 C CH2 . TRP A 1 18 ? -6.548 3.709 -5.092 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 6 -ATOM 8246 H H . TRP A 1 18 ? -7.527 -3.816 -5.728 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 6 -ATOM 8247 H HA . TRP A 1 18 ? -8.674 -1.514 -4.603 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 6 -ATOM 8248 H HB2 . TRP A 1 18 ? -6.502 -1.507 -5.663 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 6 -ATOM 8249 H HB3 . TRP A 1 18 ? -7.188 -2.034 -7.182 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 6 -ATOM 8250 H HD1 . TRP A 1 18 ? -8.146 -0.184 -8.784 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 6 -ATOM 8251 H HE1 . TRP A 1 18 ? -7.981 2.366 -8.802 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 6 -ATOM 8252 H HE3 . TRP A 1 18 ? -6.424 0.493 -4.032 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 6 -ATOM 8253 H HZ2 . TRP A 1 18 ? -7.179 4.428 -7.000 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 6 -ATOM 8254 H HZ3 . TRP A 1 18 ? -5.963 2.777 -3.258 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 6 -ATOM 8255 H HH2 . TRP A 1 18 ? -6.323 4.687 -4.699 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 6 -ATOM 8256 N N . ARG A 1 19 ? -10.051 -2.525 -7.408 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 6 -ATOM 8257 C CA . ARG A 1 19 ? -11.220 -2.428 -8.257 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 6 -ATOM 8258 C C . ARG A 1 19 ? -12.449 -3.009 -7.561 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 6 -ATOM 8259 O O . ARG A 1 19 ? -13.597 -2.649 -7.876 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 6 -ATOM 8260 C CB . ARG A 1 19 ? -10.948 -3.090 -9.598 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 6 -ATOM 8261 C CG . ARG A 1 19 ? -9.889 -2.357 -10.403 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 6 -ATOM 8262 C CD . ARG A 1 19 ? -9.540 -3.081 -11.681 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 6 -ATOM 8263 N NE . ARG A 1 19 ? -8.499 -2.364 -12.435 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 6 -ATOM 8264 C CZ . ARG A 1 19 ? -7.651 -2.927 -13.304 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 6 -ATOM 8265 N NH1 . ARG A 1 19 ? -7.719 -4.232 -13.551 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 6 -ATOM 8266 N NH2 . ARG A 1 19 ? -6.731 -2.178 -13.918 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 6 -ATOM 8267 H H . ARG A 1 19 ? -9.354 -3.189 -7.616 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 6 -ATOM 8268 H HA . ARG A 1 19 ? -11.402 -1.376 -8.418 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 6 -ATOM 8269 H HB2 . ARG A 1 19 ? -10.604 -4.098 -9.418 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 6 -ATOM 8270 H HB3 . ARG A 1 19 ? -11.860 -3.123 -10.174 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 6 -ATOM 8271 H HG2 . ARG A 1 19 ? -10.252 -1.371 -10.652 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 6 -ATOM 8272 H HG3 . ARG A 1 19 ? -8.999 -2.265 -9.798 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 6 -ATOM 8273 H HD2 . ARG A 1 19 ? -9.179 -4.068 -11.433 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 6 -ATOM 8274 H HD3 . ARG A 1 19 ? -10.427 -3.162 -12.293 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 6 -ATOM 8275 H HE . ARG A 1 19 ? -8.454 -1.394 -12.250 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 6 -ATOM 8276 H HH11 . ARG A 1 19 ? -8.388 -4.830 -13.103 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 6 -ATOM 8277 H HH12 . ARG A 1 19 ? -7.110 -4.694 -14.201 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 6 -ATOM 8278 H HH21 . ARG A 1 19 ? -6.668 -1.192 -13.740 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 6 -ATOM 8279 H HH22 . ARG A 1 19 ? -6.055 -2.554 -14.560 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 6 -ATOM 8280 N N . LYS A 1 20 ? -12.201 -3.879 -6.610 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 6 -ATOM 8281 C CA . LYS A 1 20 ? -13.236 -4.461 -5.779 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 6 -ATOM 8282 C C . LYS A 1 20 ? -13.709 -3.416 -4.759 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 6 -ATOM 8283 O O . LYS A 1 20 ? -14.909 -3.296 -4.478 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 6 -ATOM 8284 C CB . LYS A 1 20 ? -12.671 -5.670 -5.031 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 6 -ATOM 8285 C CG . LYS A 1 20 ? -13.674 -6.401 -4.163 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 6 -ATOM 8286 C CD . LYS A 1 20 ? -13.003 -7.445 -3.281 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 6 -ATOM 8287 C CE . LYS A 1 20 ? -12.116 -6.812 -2.214 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 6 -ATOM 8288 N NZ . LYS A 1 20 ? -11.537 -7.823 -1.305 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 6 -ATOM 8289 H H . LYS A 1 20 ? -11.272 -4.164 -6.473 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 6 -ATOM 8290 H HA . LYS A 1 20 ? -14.060 -4.776 -6.402 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 6 -ATOM 8291 H HB2 . LYS A 1 20 ? -12.270 -6.372 -5.749 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 6 -ATOM 8292 H HB3 . LYS A 1 20 ? -11.864 -5.321 -4.403 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 6 -ATOM 8293 H HG2 . LYS A 1 20 ? -14.179 -5.684 -3.533 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 6 -ATOM 8294 H HG3 . LYS A 1 20 ? -14.395 -6.888 -4.801 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 6 -ATOM 8295 H HD2 . LYS A 1 20 ? -13.770 -8.024 -2.786 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 6 -ATOM 8296 H HD3 . LYS A 1 20 ? -12.401 -8.094 -3.900 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 6 -ATOM 8297 H HE2 . LYS A 1 20 ? -11.307 -6.285 -2.696 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 6 -ATOM 8298 H HE3 . LYS A 1 20 ? -12.704 -6.113 -1.639 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 6 -ATOM 8299 H HZ1 . LYS A 1 20 ? -10.784 -8.373 -1.779 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 6 -ATOM 8300 H HZ2 . LYS A 1 20 ? -12.282 -8.481 -0.998 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 6 -ATOM 8301 H HZ3 . LYS A 1 20 ? -11.136 -7.360 -0.464 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 6 -ATOM 8302 N N . LEU A 1 21 ? -12.746 -2.672 -4.228 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 6 -ATOM 8303 C CA . LEU A 1 21 ? -12.961 -1.630 -3.228 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 6 -ATOM 8304 C C . LEU A 1 21 ? -13.891 -0.549 -3.706 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 6 -ATOM 8305 O O . LEU A 1 21 ? -13.923 -0.213 -4.899 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 6 -ATOM 8306 C CB . LEU A 1 21 ? -11.637 -0.992 -2.821 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 6 -ATOM 8307 C CG . LEU A 1 21 ? -11.116 -1.328 -1.431 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 6 -ATOM 8308 C CD1 . LEU A 1 21 ? -10.902 -2.818 -1.251 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 6 -ATOM 8309 C CD2 . LEU A 1 21 ? -9.846 -0.563 -1.160 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 6 -ATOM 8310 H H . LEU A 1 21 ? -11.822 -2.839 -4.520 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 6 -ATOM 8311 H HA . LEU A 1 21 ? -13.386 -2.092 -2.350 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 6 -ATOM 8312 H HB2 . LEU A 1 21 ? -10.888 -1.286 -3.540 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 6 -ATOM 8313 H HB3 . LEU A 1 21 ? -11.760 0.080 -2.881 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 6 -ATOM 8314 H HG . LEU A 1 21 ? -11.850 -1.006 -0.709 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 6 -ATOM 8315 H HD11 . LEU A 1 21 ? -11.838 -3.331 -1.413 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 6 -ATOM 8316 H HD12 . LEU A 1 21 ? -10.559 -3.009 -0.245 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 6 -ATOM 8317 H HD13 . LEU A 1 21 ? -10.168 -3.169 -1.962 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 6 -ATOM 8318 H HD21 . LEU A 1 21 ? -9.483 -0.802 -0.172 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 6 -ATOM 8319 H HD22 . LEU A 1 21 ? -10.065 0.494 -1.216 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 6 -ATOM 8320 H HD23 . LEU A 1 21 ? -9.100 -0.818 -1.897 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 6 -ATOM 8321 N N . GLY A 1 22 ? -14.636 -0.009 -2.777 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 6 -ATOM 8322 C CA . GLY A 1 22 ? -15.556 1.048 -3.066 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 6 -ATOM 8323 C C . GLY A 1 22 ? -14.826 2.310 -3.380 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 6 -ATOM 8324 O O . GLY A 1 22 ? -13.751 2.560 -2.812 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 6 -ATOM 8325 H H . GLY A 1 22 ? -14.540 -0.319 -1.851 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 6 -ATOM 8326 H HA2 . GLY A 1 22 ? -16.162 0.769 -3.914 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 6 -ATOM 8327 H HA3 . GLY A 1 22 ? -16.190 1.212 -2.208 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 6 -ATOM 8328 N N . SER A 1 23 ? -15.392 3.093 -4.264 1.00 0.00 ? ? ? ? ? ? 20 SER A N 6 -ATOM 8329 C CA . SER A 1 23 ? -14.802 4.312 -4.758 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 6 -ATOM 8330 C C . SER A 1 23 ? -14.377 5.254 -3.621 1.00 0.00 ? ? ? ? ? ? 20 SER A C 6 -ATOM 8331 O O . SER A 1 23 ? -13.254 5.729 -3.607 1.00 0.00 ? ? ? ? ? ? 20 SER A O 6 -ATOM 8332 C CB . SER A 1 23 ? -15.802 4.978 -5.682 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 6 -ATOM 8333 O OG . SER A 1 23 ? -16.324 4.014 -6.595 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 6 -ATOM 8334 H H . SER A 1 23 ? -16.269 2.857 -4.638 1.00 0.00 ? ? ? ? ? ? 20 SER A H 6 -ATOM 8335 H HA . SER A 1 23 ? -13.931 4.049 -5.338 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 6 -ATOM 8336 H HB2 . SER A 1 23 ? -16.609 5.400 -5.103 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 6 -ATOM 8337 H HB3 . SER A 1 23 ? -15.312 5.758 -6.245 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 6 -ATOM 8338 H HG . SER A 1 23 ? -16.483 4.467 -7.430 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 6 -ATOM 8339 N N . THR A 1 24 ? -15.239 5.443 -2.643 1.00 0.00 ? ? ? ? ? ? 21 THR A N 6 -ATOM 8340 C CA . THR A 1 24 ? -14.957 6.344 -1.537 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 6 -ATOM 8341 C C . THR A 1 24 ? -13.820 5.785 -0.645 1.00 0.00 ? ? ? ? ? ? 21 THR A C 6 -ATOM 8342 O O . THR A 1 24 ? -12.967 6.541 -0.147 1.00 0.00 ? ? ? ? ? ? 21 THR A O 6 -ATOM 8343 C CB . THR A 1 24 ? -16.225 6.585 -0.692 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 6 -ATOM 8344 O OG1 . THR A 1 24 ? -17.320 6.928 -1.560 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 6 -ATOM 8345 C CG2 . THR A 1 24 ? -16.009 7.721 0.294 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 6 -ATOM 8346 H H . THR A 1 24 ? -16.087 4.951 -2.662 1.00 0.00 ? ? ? ? ? ? 21 THR A H 6 -ATOM 8347 H HA . THR A 1 24 ? -14.632 7.285 -1.956 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 6 -ATOM 8348 H HB . THR A 1 24 ? -16.458 5.683 -0.149 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 6 -ATOM 8349 H HG1 . THR A 1 24 ? -16.947 7.449 -2.282 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 6 -ATOM 8350 H HG21 . THR A 1 24 ? -15.755 8.621 -0.246 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 6 -ATOM 8351 H HG22 . THR A 1 24 ? -15.204 7.466 0.968 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 6 -ATOM 8352 H HG23 . THR A 1 24 ? -16.915 7.885 0.857 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 6 -ATOM 8353 N N . VAL A 1 25 ? -13.794 4.468 -0.470 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 6 -ATOM 8354 C CA . VAL A 1 25 ? -12.766 3.822 0.328 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 6 -ATOM 8355 C C . VAL A 1 25 ? -11.417 3.911 -0.376 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 6 -ATOM 8356 O O . VAL A 1 25 ? -10.414 4.315 0.220 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 6 -ATOM 8357 C CB . VAL A 1 25 ? -13.135 2.340 0.639 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 6 -ATOM 8358 C CG1 . VAL A 1 25 ? -11.949 1.578 1.212 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 6 -ATOM 8359 C CG2 . VAL A 1 25 ? -14.296 2.289 1.623 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 6 -ATOM 8360 H H . VAL A 1 25 ? -14.477 3.905 -0.900 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 6 -ATOM 8361 H HA . VAL A 1 25 ? -12.697 4.367 1.259 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 6 -ATOM 8362 H HB . VAL A 1 25 ? -13.448 1.860 -0.276 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 6 -ATOM 8363 H HG11 . VAL A 1 25 ? -12.252 0.573 1.466 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 6 -ATOM 8364 H HG12 . VAL A 1 25 ? -11.582 2.084 2.090 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 6 -ATOM 8365 H HG13 . VAL A 1 25 ? -11.164 1.535 0.471 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 6 -ATOM 8366 H HG21 . VAL A 1 25 ? -14.010 2.780 2.541 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 6 -ATOM 8367 H HG22 . VAL A 1 25 ? -14.543 1.261 1.841 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 6 -ATOM 8368 H HG23 . VAL A 1 25 ? -15.156 2.788 1.204 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 6 -ATOM 8369 N N . ARG A 1 26 ? -11.410 3.592 -1.650 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 6 -ATOM 8370 C CA . ARG A 1 26 ? -10.197 3.662 -2.423 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 6 -ATOM 8371 C C . ARG A 1 26 ? -9.713 5.091 -2.603 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 6 -ATOM 8372 O O . ARG A 1 26 ? -8.522 5.313 -2.678 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 6 -ATOM 8373 C CB . ARG A 1 26 ? -10.253 2.908 -3.736 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 6 -ATOM 8374 C CG . ARG A 1 26 ? -11.360 3.315 -4.655 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 6 -ATOM 8375 C CD . ARG A 1 26 ? -11.128 2.723 -6.014 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 6 -ATOM 8376 N NE . ARG A 1 26 ? -12.200 3.035 -6.951 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 6 -ATOM 8377 C CZ . ARG A 1 26 ? -12.812 2.150 -7.741 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 6 -ATOM 8378 N NH1 . ARG A 1 26 ? -12.528 0.840 -7.655 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 6 -ATOM 8379 N NH2 . ARG A 1 26 ? -13.730 2.569 -8.602 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 6 -ATOM 8380 H H . ARG A 1 26 ? -12.251 3.300 -2.069 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 6 -ATOM 8381 H HA . ARG A 1 26 ? -9.457 3.190 -1.792 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 6 -ATOM 8382 H HB2 . ARG A 1 26 ? -9.320 3.060 -4.259 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 6 -ATOM 8383 H HB3 . ARG A 1 26 ? -10.360 1.853 -3.525 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 6 -ATOM 8384 H HG2 . ARG A 1 26 ? -12.268 2.895 -4.245 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 6 -ATOM 8385 H HG3 . ARG A 1 26 ? -11.463 4.391 -4.691 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 6 -ATOM 8386 H HD2 . ARG A 1 26 ? -10.200 3.143 -6.375 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 6 -ATOM 8387 H HD3 . ARG A 1 26 ? -11.025 1.652 -5.918 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 6 -ATOM 8388 H HE . ARG A 1 26 ? -12.448 3.989 -7.007 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 6 -ATOM 8389 H HH11 . ARG A 1 26 ? -11.856 0.464 -7.008 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 6 -ATOM 8390 H HH12 . ARG A 1 26 ? -12.998 0.186 -8.253 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 6 -ATOM 8391 H HH21 . ARG A 1 26 ? -13.968 3.541 -8.669 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 6 -ATOM 8392 H HH22 . ARG A 1 26 ? -14.218 1.946 -9.217 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 6 -ATOM 8393 N N . GLU A 1 27 ? -10.641 6.053 -2.707 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 6 -ATOM 8394 C CA . GLU A 1 27 ? -10.266 7.467 -2.785 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 6 -ATOM 8395 C C . GLU A 1 27 ? -9.426 7.857 -1.610 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 6 -ATOM 8396 O O . GLU A 1 27 ? -8.378 8.454 -1.780 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 6 -ATOM 8397 C CB . GLU A 1 27 ? -11.461 8.384 -2.768 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 6 -ATOM 8398 C CG . GLU A 1 27 ? -12.157 8.601 -4.071 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 6 -ATOM 8399 C CD . GLU A 1 27 ? -13.120 9.732 -3.932 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 6 -ATOM 8400 O OE1 . GLU A 1 27 ? -14.227 9.526 -3.401 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 6 -ATOM 8401 O OE2 . GLU A 1 27 ? -12.762 10.878 -4.271 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 6 -ATOM 8402 H H . GLU A 1 27 ? -11.593 5.809 -2.759 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 6 -ATOM 8403 H HA . GLU A 1 27 ? -9.714 7.632 -3.697 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 6 -ATOM 8404 H HB2 . GLU A 1 27 ? -12.184 7.937 -2.101 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 6 -ATOM 8405 H HB3 . GLU A 1 27 ? -11.181 9.337 -2.344 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 6 -ATOM 8406 H HG2 . GLU A 1 27 ? -11.428 8.840 -4.832 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 6 -ATOM 8407 H HG3 . GLU A 1 27 ? -12.704 7.710 -4.345 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 6 -ATOM 8408 N N . GLN A 1 28 ? -9.886 7.496 -0.428 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 6 -ATOM 8409 C CA . GLN A 1 28 ? -9.179 7.815 0.807 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 6 -ATOM 8410 C C . GLN A 1 28 ? -7.775 7.244 0.779 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 6 -ATOM 8411 O O . GLN A 1 28 ? -6.812 7.916 1.140 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 6 -ATOM 8412 C CB . GLN A 1 28 ? -9.949 7.285 1.996 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 6 -ATOM 8413 C CG . GLN A 1 28 ? -11.158 8.105 2.390 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 6 -ATOM 8414 C CD . GLN A 1 28 ? -12.087 7.345 3.309 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 6 -ATOM 8415 O OE1 . GLN A 1 28 ? -11.938 7.350 4.545 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 6 -ATOM 8416 N NE2 . GLN A 1 28 ? -13.057 6.698 2.721 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 6 -ATOM 8417 H H . GLN A 1 28 ? -10.722 6.977 -0.402 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 6 -ATOM 8418 H HA . GLN A 1 28 ? -9.117 8.891 0.880 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 6 -ATOM 8419 H HB2 . GLN A 1 28 ? -10.307 6.303 1.728 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 6 -ATOM 8420 H HB3 . GLN A 1 28 ? -9.288 7.210 2.846 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 6 -ATOM 8421 H HG2 . GLN A 1 28 ? -10.827 8.999 2.899 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 6 -ATOM 8422 H HG3 . GLN A 1 28 ? -11.700 8.379 1.497 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 6 -ATOM 8423 H HE21 . GLN A 1 28 ? -13.092 6.758 1.737 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 6 -ATOM 8424 H HE22 . GLN A 1 28 ? -13.708 6.224 3.276 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 6 -ATOM 8425 N N . LEU A 1 29 ? -7.667 6.030 0.292 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 6 -ATOM 8426 C CA . LEU A 1 29 ? -6.390 5.367 0.157 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 6 -ATOM 8427 C C . LEU A 1 29 ? -5.517 6.060 -0.881 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 6 -ATOM 8428 O O . LEU A 1 29 ? -4.349 6.305 -0.633 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 6 -ATOM 8429 C CB . LEU A 1 29 ? -6.589 3.905 -0.198 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 6 -ATOM 8430 C CG . LEU A 1 29 ? -7.301 3.057 0.865 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 6 -ATOM 8431 C CD1 . LEU A 1 29 ? -7.518 1.657 0.362 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 6 -ATOM 8432 C CD2 . LEU A 1 29 ? -6.501 3.029 2.167 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 6 -ATOM 8433 H H . LEU A 1 29 ? -8.484 5.560 0.022 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 6 -ATOM 8434 H HA . LEU A 1 29 ? -5.888 5.425 1.112 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 6 -ATOM 8435 H HB2 . LEU A 1 29 ? -7.166 3.889 -1.112 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 6 -ATOM 8436 H HB3 . LEU A 1 29 ? -5.622 3.469 -0.399 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 6 -ATOM 8437 H HG . LEU A 1 29 ? -8.271 3.484 1.074 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 6 -ATOM 8438 H HD11 . LEU A 1 29 ? -8.026 1.074 1.116 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 6 -ATOM 8439 H HD12 . LEU A 1 29 ? -6.564 1.203 0.140 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 6 -ATOM 8440 H HD13 . LEU A 1 29 ? -8.118 1.684 -0.536 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 6 -ATOM 8441 H HD21 . LEU A 1 29 ? -7.003 2.394 2.881 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 6 -ATOM 8442 H HD22 . LEU A 1 29 ? -6.429 4.028 2.572 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 6 -ATOM 8443 H HD23 . LEU A 1 29 ? -5.509 2.646 1.975 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 6 -ATOM 8444 N N . LYS A 1 30 ? -6.101 6.398 -2.029 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 6 -ATOM 8445 C CA . LYS A 1 30 ? -5.381 7.089 -3.102 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 6 -ATOM 8446 C C . LYS A 1 30 ? -4.843 8.431 -2.608 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 6 -ATOM 8447 O O . LYS A 1 30 ? -3.690 8.791 -2.864 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 6 -ATOM 8448 C CB . LYS A 1 30 ? -6.313 7.368 -4.274 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 6 -ATOM 8449 C CG . LYS A 1 30 ? -5.594 7.981 -5.463 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 6 -ATOM 8450 C CD . LYS A 1 30 ? -6.545 8.440 -6.552 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 6 -ATOM 8451 C CE . LYS A 1 30 ? -7.384 9.623 -6.095 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 6 -ATOM 8452 N NZ . LYS A 1 30 ? -8.238 10.140 -7.171 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 6 -ATOM 8453 H H . LYS A 1 30 ? -7.042 6.146 -2.172 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 6 -ATOM 8454 H HA . LYS A 1 30 ? -4.566 6.467 -3.441 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 6 -ATOM 8455 H HB2 . LYS A 1 30 ? -6.825 6.469 -4.578 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 6 -ATOM 8456 H HB3 . LYS A 1 30 ? -7.055 8.068 -3.925 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 6 -ATOM 8457 H HG2 . LYS A 1 30 ? -5.051 8.838 -5.093 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 6 -ATOM 8458 H HG3 . LYS A 1 30 ? -4.900 7.257 -5.861 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 6 -ATOM 8459 H HD2 . LYS A 1 30 ? -5.966 8.736 -7.415 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 6 -ATOM 8460 H HD3 . LYS A 1 30 ? -7.198 7.624 -6.818 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 6 -ATOM 8461 H HE2 . LYS A 1 30 ? -8.005 9.332 -5.261 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 6 -ATOM 8462 H HE3 . LYS A 1 30 ? -6.701 10.399 -5.786 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 6 -ATOM 8463 H HZ1 . LYS A 1 30 ? -7.649 10.494 -7.952 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 6 -ATOM 8464 H HZ2 . LYS A 1 30 ? -8.856 10.905 -6.836 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 6 -ATOM 8465 H HZ3 . LYS A 1 30 ? -8.844 9.389 -7.554 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 6 -ATOM 8466 N N . LYS A 1 31 ? -5.685 9.147 -1.890 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 6 -ATOM 8467 C CA . LYS A 1 31 ? -5.339 10.437 -1.323 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 6 -ATOM 8468 C C . LYS A 1 31 ? -4.211 10.283 -0.321 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 6 -ATOM 8469 O O . LYS A 1 31 ? -3.332 11.137 -0.222 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 6 -ATOM 8470 C CB . LYS A 1 31 ? -6.577 11.103 -0.705 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 6 -ATOM 8471 C CG . LYS A 1 31 ? -7.641 11.415 -1.746 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 6 -ATOM 8472 C CD . LYS A 1 31 ? -8.950 11.868 -1.129 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 6 -ATOM 8473 C CE . LYS A 1 31 ? -10.010 12.024 -2.210 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 6 -ATOM 8474 N NZ . LYS A 1 31 ? -11.335 12.373 -1.665 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 6 -ATOM 8475 H H . LYS A 1 31 ? -6.591 8.784 -1.765 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 6 -ATOM 8476 H HA . LYS A 1 31 ? -4.987 11.046 -2.142 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 6 -ATOM 8477 H HB2 . LYS A 1 31 ? -7.004 10.441 0.032 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 6 -ATOM 8478 H HB3 . LYS A 1 31 ? -6.289 12.030 -0.231 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 6 -ATOM 8479 H HG2 . LYS A 1 31 ? -7.277 12.199 -2.392 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 6 -ATOM 8480 H HG3 . LYS A 1 31 ? -7.817 10.524 -2.331 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 6 -ATOM 8481 H HD2 . LYS A 1 31 ? -9.275 11.131 -0.410 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 6 -ATOM 8482 H HD3 . LYS A 1 31 ? -8.804 12.817 -0.636 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 6 -ATOM 8483 H HE2 . LYS A 1 31 ? -9.696 12.809 -2.879 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 6 -ATOM 8484 H HE3 . LYS A 1 31 ? -10.079 11.096 -2.756 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 6 -ATOM 8485 H HZ1 . LYS A 1 31 ? -12.039 12.424 -2.428 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 6 -ATOM 8486 H HZ2 . LYS A 1 31 ? -11.319 13.294 -1.185 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 6 -ATOM 8487 H HZ3 . LYS A 1 31 ? -11.665 11.662 -0.979 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 6 -ATOM 8488 N N . LYS A 1 32 ? -4.217 9.176 0.390 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 6 -ATOM 8489 C CA . LYS A 1 32 ? -3.152 8.856 1.308 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 6 -ATOM 8490 C C . LYS A 1 32 ? -1.877 8.500 0.585 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 6 -ATOM 8491 O O . LYS A 1 32 ? -0.785 8.819 1.049 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 6 -ATOM 8492 C CB . LYS A 1 32 ? -3.548 7.753 2.270 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 6 -ATOM 8493 C CG . LYS A 1 32 ? -3.920 8.265 3.640 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 6 -ATOM 8494 C CD . LYS A 1 32 ? -5.114 9.185 3.610 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 6 -ATOM 8495 C CE . LYS A 1 32 ? -5.292 9.841 4.947 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 6 -ATOM 8496 N NZ . LYS A 1 32 ? -4.156 10.738 5.260 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 6 -ATOM 8497 H H . LYS A 1 32 ? -4.972 8.555 0.296 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 6 -ATOM 8498 H HA . LYS A 1 32 ? -2.957 9.747 1.883 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 6 -ATOM 8499 H HB2 . LYS A 1 32 ? -4.395 7.224 1.859 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 6 -ATOM 8500 H HB3 . LYS A 1 32 ? -2.718 7.070 2.370 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 6 -ATOM 8501 H HG2 . LYS A 1 32 ? -4.147 7.430 4.284 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 6 -ATOM 8502 H HG3 . LYS A 1 32 ? -3.075 8.805 4.040 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 6 -ATOM 8503 H HD2 . LYS A 1 32 ? -4.957 9.947 2.860 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 6 -ATOM 8504 H HD3 . LYS A 1 32 ? -6.000 8.615 3.374 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 6 -ATOM 8505 H HE2 . LYS A 1 32 ? -6.220 10.391 4.971 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 6 -ATOM 8506 H HE3 . LYS A 1 32 ? -5.307 9.040 5.672 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 6 -ATOM 8507 H HZ1 . LYS A 1 32 ? -3.964 11.415 4.488 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 6 -ATOM 8508 H HZ2 . LYS A 1 32 ? -3.282 10.209 5.443 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 6 -ATOM 8509 H HZ3 . LYS A 1 32 ? -4.373 11.295 6.110 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 6 -ATOM 8510 N N . LEU A 1 33 ? -2.013 7.857 -0.542 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 6 -ATOM 8511 C CA . LEU A 1 33 ? -0.880 7.481 -1.348 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 6 -ATOM 8512 C C . LEU A 1 33 ? -0.216 8.704 -1.950 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 6 -ATOM 8513 O O . LEU A 1 33 ? 0.995 8.850 -1.876 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 6 -ATOM 8514 C CB . LEU A 1 33 ? -1.283 6.501 -2.453 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 6 -ATOM 8515 C CG . LEU A 1 33 ? -1.874 5.169 -1.989 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 6 -ATOM 8516 C CD1 . LEU A 1 33 ? -2.241 4.305 -3.176 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 6 -ATOM 8517 C CD2 . LEU A 1 33 ? -0.912 4.439 -1.061 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 6 -ATOM 8518 H H . LEU A 1 33 ? -2.918 7.605 -0.832 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 6 -ATOM 8519 H HA . LEU A 1 33 ? -0.176 6.989 -0.695 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 6 -ATOM 8520 H HB2 . LEU A 1 33 ? -2.011 6.990 -3.083 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 6 -ATOM 8521 H HB3 . LEU A 1 33 ? -0.407 6.289 -3.048 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 6 -ATOM 8522 H HG . LEU A 1 33 ? -2.785 5.368 -1.443 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 6 -ATOM 8523 H HD11 . LEU A 1 33 ? -1.357 4.115 -3.766 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 6 -ATOM 8524 H HD12 . LEU A 1 33 ? -2.976 4.818 -3.779 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 6 -ATOM 8525 H HD13 . LEU A 1 33 ? -2.652 3.369 -2.828 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 6 -ATOM 8526 H HD21 . LEU A 1 33 ? 0.030 4.280 -1.562 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 6 -ATOM 8527 H HD22 . LEU A 1 33 ? -1.338 3.484 -0.791 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 6 -ATOM 8528 H HD23 . LEU A 1 33 ? -0.756 5.029 -0.169 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 6 -ATOM 8529 N N . VAL A 1 34 ? -1.013 9.605 -2.503 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 6 -ATOM 8530 C CA . VAL A 1 34 ? -0.470 10.790 -3.144 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 6 -ATOM 8531 C C . VAL A 1 34 ? 0.263 11.693 -2.124 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 6 -ATOM 8532 O O . VAL A 1 34 ? 1.337 12.228 -2.421 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 6 -ATOM 8533 C CB . VAL A 1 34 ? -1.550 11.576 -3.968 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 6 -ATOM 8534 C CG1 . VAL A 1 34 ? -2.600 12.231 -3.095 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 6 -ATOM 8535 C CG2 . VAL A 1 34 ? -0.915 12.586 -4.902 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 6 -ATOM 8536 H H . VAL A 1 34 ? -1.986 9.452 -2.490 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 6 -ATOM 8537 H HA . VAL A 1 34 ? 0.285 10.424 -3.826 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 6 -ATOM 8538 H HB . VAL A 1 34 ? -2.066 10.847 -4.576 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 6 -ATOM 8539 H HG11 . VAL A 1 34 ? -3.340 12.721 -3.709 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 6 -ATOM 8540 H HG12 . VAL A 1 34 ? -2.122 12.965 -2.462 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 6 -ATOM 8541 H HG13 . VAL A 1 34 ? -3.070 11.478 -2.481 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 6 -ATOM 8542 H HG21 . VAL A 1 34 ? -1.700 13.095 -5.442 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 6 -ATOM 8543 H HG22 . VAL A 1 34 ? -0.266 12.075 -5.598 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 6 -ATOM 8544 H HG23 . VAL A 1 34 ? -0.346 13.303 -4.329 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 6 -ATOM 8545 N N . GLU A 1 35 ? -0.297 11.832 -0.915 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 6 -ATOM 8546 C CA . GLU A 1 35 ? 0.352 12.614 0.130 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 6 -ATOM 8547 C C . GLU A 1 35 ? 1.631 11.912 0.635 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 6 -ATOM 8548 O O . GLU A 1 35 ? 2.688 12.546 0.788 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 6 -ATOM 8549 C CB . GLU A 1 35 ? -0.611 12.937 1.309 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 6 -ATOM 8550 C CG . GLU A 1 35 ? -1.188 11.714 1.991 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 6 -ATOM 8551 C CD . GLU A 1 35 ? -2.001 11.997 3.234 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 6 -ATOM 8552 O OE1 . GLU A 1 35 ? -3.196 12.338 3.130 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 6 -ATOM 8553 O OE2 . GLU A 1 35 ? -1.482 11.805 4.346 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 6 -ATOM 8554 H H . GLU A 1 35 ? -1.165 11.408 -0.737 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 6 -ATOM 8555 H HA . GLU A 1 35 ? 0.658 13.542 -0.333 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 6 -ATOM 8556 H HB2 . GLU A 1 35 ? -0.084 13.514 2.052 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 6 -ATOM 8557 H HB3 . GLU A 1 35 ? -1.431 13.527 0.925 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 6 -ATOM 8558 H HG2 . GLU A 1 35 ? -1.826 11.221 1.273 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 6 -ATOM 8559 H HG3 . GLU A 1 35 ? -0.370 11.056 2.243 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 6 -ATOM 8560 N N . VAL A 1 36 ? 1.543 10.596 0.827 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 6 -ATOM 8561 C CA . VAL A 1 36 ? 2.624 9.815 1.407 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 6 -ATOM 8562 C C . VAL A 1 36 ? 3.875 9.820 0.530 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 6 -ATOM 8563 O O . VAL A 1 36 ? 4.956 9.743 1.026 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 6 -ATOM 8564 C CB . VAL A 1 36 ? 2.210 8.369 1.823 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 6 -ATOM 8565 C CG1 . VAL A 1 36 ? 2.223 7.380 0.663 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 6 -ATOM 8566 C CG2 . VAL A 1 36 ? 3.052 7.887 2.988 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 6 -ATOM 8567 H H . VAL A 1 36 ? 0.721 10.124 0.569 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 6 -ATOM 8568 H HA . VAL A 1 36 ? 2.896 10.357 2.302 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 6 -ATOM 8569 H HB . VAL A 1 36 ? 1.187 8.430 2.162 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 6 -ATOM 8570 H HG11 . VAL A 1 36 ? 3.232 7.281 0.288 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 6 -ATOM 8571 H HG12 . VAL A 1 36 ? 1.593 7.760 -0.127 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 6 -ATOM 8572 H HG13 . VAL A 1 36 ? 1.860 6.419 0.993 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 6 -ATOM 8573 H HG21 . VAL A 1 36 ? 2.786 6.869 3.236 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 6 -ATOM 8574 H HG22 . VAL A 1 36 ? 2.876 8.523 3.844 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 6 -ATOM 8575 H HG23 . VAL A 1 36 ? 4.092 7.937 2.710 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 6 -ATOM 8576 N N . LEU A 1 37 ? 3.692 9.942 -0.775 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 6 -ATOM 8577 C CA . LEU A 1 37 ? 4.789 9.926 -1.752 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 6 -ATOM 8578 C C . LEU A 1 37 ? 5.900 10.949 -1.454 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 6 -ATOM 8579 O O . LEU A 1 37 ? 7.033 10.752 -1.887 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 6 -ATOM 8580 C CB . LEU A 1 37 ? 4.260 10.146 -3.175 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 6 -ATOM 8581 C CG . LEU A 1 37 ? 3.361 9.050 -3.747 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 6 -ATOM 8582 C CD1 . LEU A 1 37 ? 2.852 9.446 -5.120 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 6 -ATOM 8583 C CD2 . LEU A 1 37 ? 4.103 7.724 -3.817 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 6 -ATOM 8584 H H . LEU A 1 37 ? 2.774 10.012 -1.103 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 6 -ATOM 8585 H HA . LEU A 1 37 ? 5.235 8.944 -1.717 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 6 -ATOM 8586 H HB2 . LEU A 1 37 ? 3.697 11.067 -3.178 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 6 -ATOM 8587 H HB3 . LEU A 1 37 ? 5.109 10.267 -3.833 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 6 -ATOM 8588 H HG . LEU A 1 37 ? 2.506 8.925 -3.099 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 6 -ATOM 8589 H HD11 . LEU A 1 37 ? 3.694 9.602 -5.777 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 6 -ATOM 8590 H HD12 . LEU A 1 37 ? 2.281 10.359 -5.046 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 6 -ATOM 8591 H HD13 . LEU A 1 37 ? 2.227 8.660 -5.518 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 6 -ATOM 8592 H HD21 . LEU A 1 37 ? 4.996 7.844 -4.414 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 6 -ATOM 8593 H HD22 . LEU A 1 37 ? 3.467 6.986 -4.280 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 6 -ATOM 8594 H HD23 . LEU A 1 37 ? 4.370 7.396 -2.824 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 6 -ATOM 8595 N N . GLU A 1 38 ? 5.589 12.039 -0.738 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 6 -ATOM 8596 C CA . GLU A 1 38 ? 6.640 13.021 -0.427 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 6 -ATOM 8597 C C . GLU A 1 38 ? 7.498 12.556 0.770 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 6 -ATOM 8598 O O . GLU A 1 38 ? 8.623 13.019 0.968 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 6 -ATOM 8599 C CB . GLU A 1 38 ? 6.068 14.417 -0.151 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 6 -ATOM 8600 C CG . GLU A 1 38 ? 5.201 14.502 1.088 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 6 -ATOM 8601 C CD . GLU A 1 38 ? 4.761 15.904 1.392 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 6 -ATOM 8602 O OE1 . GLU A 1 38 ? 5.493 16.624 2.103 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 6 -ATOM 8603 O OE2 . GLU A 1 38 ? 3.660 16.302 0.953 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 6 -ATOM 8604 H H . GLU A 1 38 ? 4.674 12.162 -0.398 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 6 -ATOM 8605 H HA . GLU A 1 38 ? 7.286 13.068 -1.292 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 6 -ATOM 8606 H HB2 . GLU A 1 38 ? 6.889 15.109 -0.033 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 6 -ATOM 8607 H HB3 . GLU A 1 38 ? 5.477 14.724 -1.001 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 6 -ATOM 8608 H HG2 . GLU A 1 38 ? 4.323 13.891 0.940 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 6 -ATOM 8609 H HG3 . GLU A 1 38 ? 5.761 14.123 1.929 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 6 -ATOM 8610 N N . SER A 1 39 ? 6.960 11.646 1.547 1.00 0.00 ? ? ? ? ? ? 36 SER A N 6 -ATOM 8611 C CA . SER A 1 39 ? 7.620 11.125 2.716 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 6 -ATOM 8612 C C . SER A 1 39 ? 7.084 9.733 3.036 1.00 0.00 ? ? ? ? ? ? 36 SER A C 6 -ATOM 8613 O O . SER A 1 39 ? 6.321 9.564 3.971 1.00 0.00 ? ? ? ? ? ? 36 SER A O 6 -ATOM 8614 C CB . SER A 1 39 ? 7.434 12.084 3.920 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 6 -ATOM 8615 O OG . SER A 1 39 ? 7.959 11.534 5.124 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 6 -ATOM 8616 H H . SER A 1 39 ? 6.084 11.260 1.324 1.00 0.00 ? ? ? ? ? ? 36 SER A H 6 -ATOM 8617 H HA . SER A 1 39 ? 8.674 11.021 2.513 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 6 -ATOM 8618 H HB2 . SER A 1 39 ? 7.944 13.015 3.715 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 6 -ATOM 8619 H HB3 . SER A 1 39 ? 6.381 12.280 4.054 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 6 -ATOM 8620 H HG . SER A 1 39 ? 7.383 10.784 5.318 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 6 -ATOM 8621 N N . PRO A 1 40 ? 7.413 8.715 2.218 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 6 -ATOM 8622 C CA . PRO A 1 40 ? 6.947 7.355 2.467 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 6 -ATOM 8623 C C . PRO A 1 40 ? 7.746 6.682 3.580 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 6 -ATOM 8624 O O . PRO A 1 40 ? 7.334 5.677 4.142 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 6 -ATOM 8625 C CB . PRO A 1 40 ? 7.154 6.668 1.121 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 6 -ATOM 8626 C CG . PRO A 1 40 ? 8.312 7.378 0.522 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 6 -ATOM 8627 C CD . PRO A 1 40 ? 8.176 8.811 0.949 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 6 -ATOM 8628 H HA . PRO A 1 40 ? 5.904 7.336 2.739 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 6 -ATOM 8629 H HB2 . PRO A 1 40 ? 7.356 5.619 1.270 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 6 -ATOM 8630 H HB3 . PRO A 1 40 ? 6.266 6.793 0.518 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 6 -ATOM 8631 H HG2 . PRO A 1 40 ? 9.233 6.960 0.899 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 6 -ATOM 8632 H HG3 . PRO A 1 40 ? 8.278 7.304 -0.555 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 6 -ATOM 8633 H HD2 . PRO A 1 40 ? 9.142 9.269 1.103 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 6 -ATOM 8634 H HD3 . PRO A 1 40 ? 7.600 9.360 0.215 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 6 -ATOM 8635 N N . ARG A 1 41 ? 8.872 7.280 3.922 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 6 -ATOM 8636 C CA . ARG A 1 41 ? 9.732 6.779 4.974 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 6 -ATOM 8637 C C . ARG A 1 41 ? 9.281 7.220 6.372 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 6 -ATOM 8638 O O . ARG A 1 41 ? 9.973 7.939 7.071 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 6 -ATOM 8639 C CB . ARG A 1 41 ? 11.236 7.060 4.681 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 6 -ATOM 8640 C CG . ARG A 1 41 ? 11.554 8.395 3.961 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 6 -ATOM 8641 C CD . ARG A 1 41 ? 11.249 9.651 4.776 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 6 -ATOM 8642 N NE . ARG A 1 41 ? 11.471 10.876 3.981 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 6 -ATOM 8643 C CZ . ARG A 1 41 ? 11.219 12.140 4.394 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 6 -ATOM 8644 N NH1 . ARG A 1 41 ? 10.827 12.380 5.646 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 6 -ATOM 8645 N NH2 . ARG A 1 41 ? 11.374 13.151 3.553 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 6 -ATOM 8646 H H . ARG A 1 41 ? 9.105 8.099 3.438 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 6 -ATOM 8647 H HA . ARG A 1 41 ? 9.584 5.709 4.954 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 6 -ATOM 8648 H HB2 . ARG A 1 41 ? 11.768 7.066 5.620 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 6 -ATOM 8649 H HB3 . ARG A 1 41 ? 11.623 6.253 4.076 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 6 -ATOM 8650 H HG2 . ARG A 1 41 ? 12.602 8.411 3.704 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 6 -ATOM 8651 H HG3 . ARG A 1 41 ? 10.980 8.424 3.046 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 6 -ATOM 8652 H HD2 . ARG A 1 41 ? 10.217 9.619 5.092 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 6 -ATOM 8653 H HD3 . ARG A 1 41 ? 11.895 9.673 5.642 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 6 -ATOM 8654 H HE . ARG A 1 41 ? 11.809 10.710 3.069 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 6 -ATOM 8655 H HH11 . ARG A 1 41 ? 10.702 11.641 6.311 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 6 -ATOM 8656 H HH12 . ARG A 1 41 ? 10.635 13.303 5.993 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 6 -ATOM 8657 H HH21 . ARG A 1 41 ? 11.683 13.024 2.605 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 6 -ATOM 8658 H HH22 . ARG A 1 41 ? 11.169 14.098 3.813 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 6 -ATOM 8659 N N . ILE A 1 42 ? 8.087 6.817 6.730 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 6 -ATOM 8660 C CA . ILE A 1 42 ? 7.494 7.128 8.021 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 6 -ATOM 8661 C C . ILE A 1 42 ? 7.605 5.905 8.927 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 6 -ATOM 8662 O O . ILE A 1 42 ? 6.927 4.895 8.703 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 6 -ATOM 8663 C CB . ILE A 1 42 ? 6.000 7.538 7.843 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 6 -ATOM 8664 C CG1 . ILE A 1 42 ? 5.918 8.779 6.951 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 6 -ATOM 8665 C CG2 . ILE A 1 42 ? 5.329 7.806 9.191 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 6 -ATOM 8666 C CD1 . ILE A 1 42 ? 4.513 9.207 6.592 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 6 -ATOM 8667 H H . ILE A 1 42 ? 7.583 6.280 6.078 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 6 -ATOM 8668 H HA . ILE A 1 42 ? 8.040 7.949 8.458 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 6 -ATOM 8669 H HB . ILE A 1 42 ? 5.478 6.729 7.355 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 6 -ATOM 8670 H HG12 . ILE A 1 42 ? 6.390 9.607 7.458 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 6 -ATOM 8671 H HG13 . ILE A 1 42 ? 6.453 8.582 6.032 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 6 -ATOM 8672 H HG21 . ILE A 1 42 ? 4.288 8.047 9.029 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 6 -ATOM 8673 H HG22 . ILE A 1 42 ? 5.816 8.641 9.670 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 6 -ATOM 8674 H HG23 . ILE A 1 42 ? 5.408 6.929 9.817 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 6 -ATOM 8675 H HD11 . ILE A 1 42 ? 4.569 10.077 5.954 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 6 -ATOM 8676 H HD12 . ILE A 1 42 ? 3.968 9.443 7.491 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 6 -ATOM 8677 H HD13 . ILE A 1 42 ? 4.018 8.406 6.062 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 6 -ATOM 8678 N N . GLU A 1 43 ? 8.442 5.995 9.953 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 6 -ATOM 8679 C CA . GLU A 1 43 ? 8.730 4.848 10.830 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 6 -ATOM 8680 C C . GLU A 1 43 ? 7.498 4.377 11.616 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 6 -ATOM 8681 O O . GLU A 1 43 ? 7.447 3.236 12.074 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 6 -ATOM 8682 C CB . GLU A 1 43 ? 9.891 5.138 11.793 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 6 -ATOM 8683 C CG . GLU A 1 43 ? 9.607 6.220 12.816 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 6 -ATOM 8684 C CD . GLU A 1 43 ? 10.740 6.424 13.773 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 6 -ATOM 8685 O OE1 . GLU A 1 43 ? 10.900 5.621 14.719 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 6 -ATOM 8686 O OE2 . GLU A 1 43 ? 11.487 7.404 13.617 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 6 -ATOM 8687 H H . GLU A 1 43 ? 8.874 6.861 10.128 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 6 -ATOM 8688 H HA . GLU A 1 43 ? 9.025 4.039 10.179 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 6 -ATOM 8689 H HB2 . GLU A 1 43 ? 10.128 4.230 12.328 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 6 -ATOM 8690 H HB3 . GLU A 1 43 ? 10.753 5.435 11.214 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 6 -ATOM 8691 H HG2 . GLU A 1 43 ? 9.439 7.150 12.296 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 6 -ATOM 8692 H HG3 . GLU A 1 43 ? 8.720 5.955 13.372 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 6 -ATOM 8693 N N . ALA A 1 44 ? 6.525 5.251 11.779 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 6 -ATOM 8694 C CA . ALA A 1 44 ? 5.295 4.918 12.491 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 6 -ATOM 8695 C C . ALA A 1 44 ? 4.399 4.009 11.663 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 6 -ATOM 8696 O O . ALA A 1 44 ? 3.522 3.330 12.197 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 6 -ATOM 8697 C CB . ALA A 1 44 ? 4.541 6.178 12.865 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 6 -ATOM 8698 H H . ALA A 1 44 ? 6.655 6.167 11.448 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 6 -ATOM 8699 H HA . ALA A 1 44 ? 5.565 4.403 13.401 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 6 -ATOM 8700 H HB1 . ALA A 1 44 ? 4.239 6.697 11.967 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 6 -ATOM 8701 H HB2 . ALA A 1 44 ? 5.183 6.816 13.453 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 6 -ATOM 8702 H HB3 . ALA A 1 44 ? 3.664 5.915 13.438 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 6 -ATOM 8703 N N . ASN A 1 45 ? 4.616 3.987 10.369 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 6 -ATOM 8704 C CA . ASN A 1 45 ? 3.785 3.176 9.490 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 6 -ATOM 8705 C C . ASN A 1 45 ? 4.541 1.963 8.996 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 6 -ATOM 8706 O O . ASN A 1 45 ? 3.961 1.085 8.355 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 6 -ATOM 8707 C CB . ASN A 1 45 ? 3.257 3.997 8.289 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 6 -ATOM 8708 C CG . ASN A 1 45 ? 2.297 5.117 8.682 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 6 -ATOM 8709 O OD1 . ASN A 1 45 ? 1.592 5.035 9.684 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 6 -ATOM 8710 N ND2 . ASN A 1 45 ? 2.256 6.169 7.894 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 6 -ATOM 8711 H H . ASN A 1 45 ? 5.354 4.511 9.989 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 6 -ATOM 8712 H HA . ASN A 1 45 ? 2.940 2.836 10.070 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 6 -ATOM 8713 H HB2 . ASN A 1 45 ? 4.095 4.443 7.776 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 6 -ATOM 8714 H HB3 . ASN A 1 45 ? 2.744 3.330 7.611 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 6 -ATOM 8715 H HD21 . ASN A 1 45 ? 2.833 6.192 7.102 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 6 -ATOM 8716 H HD22 . ASN A 1 45 ? 1.626 6.885 8.130 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 6 -ATOM 8717 N N . LYS A 1 46 ? 5.833 1.922 9.299 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 6 -ATOM 8718 C CA . LYS A 1 46 ? 6.713 0.883 8.867 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 6 -ATOM 8719 C C . LYS A 1 46 ? 6.391 -0.414 9.590 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 6 -ATOM 8720 O O . LYS A 1 46 ? 6.217 -0.426 10.811 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 6 -ATOM 8721 C CB . LYS A 1 46 ? 8.136 1.288 9.212 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 6 -ATOM 8722 C CG . LYS A 1 46 ? 9.169 0.746 8.270 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 6 -ATOM 8723 C CD . LYS A 1 46 ? 10.588 1.029 8.765 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 6 -ATOM 8724 C CE . LYS A 1 46 ? 11.645 0.620 7.738 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 6 -ATOM 8725 N NZ . LYS A 1 46 ? 11.722 1.560 6.595 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 6 -ATOM 8726 H H . LYS A 1 46 ? 6.255 2.616 9.839 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 6 -ATOM 8727 H HA . LYS A 1 46 ? 6.643 0.758 7.798 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 6 -ATOM 8728 H HB2 . LYS A 1 46 ? 8.201 2.364 9.213 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 6 -ATOM 8729 H HB3 . LYS A 1 46 ? 8.348 0.911 10.200 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 6 -ATOM 8730 H HG2 . LYS A 1 46 ? 9.000 -0.313 8.156 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 6 -ATOM 8731 H HG3 . LYS A 1 46 ? 8.989 1.265 7.341 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 6 -ATOM 8732 H HD2 . LYS A 1 46 ? 10.689 2.087 8.959 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 6 -ATOM 8733 H HD3 . LYS A 1 46 ? 10.751 0.478 9.679 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 6 -ATOM 8734 H HE2 . LYS A 1 46 ? 12.610 0.586 8.220 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 6 -ATOM 8735 H HE3 . LYS A 1 46 ? 11.399 -0.364 7.364 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 6 -ATOM 8736 H HZ1 . LYS A 1 46 ? 12.183 2.450 6.869 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 6 -ATOM 8737 H HZ2 . LYS A 1 46 ? 10.790 1.849 6.233 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 6 -ATOM 8738 H HZ3 . LYS A 1 46 ? 12.255 1.176 5.782 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 6 -ATOM 8739 N N . LEU A 1 47 ? 6.319 -1.474 8.845 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 6 -ATOM 8740 C CA . LEU A 1 47 ? 6.087 -2.783 9.393 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 6 -ATOM 8741 C C . LEU A 1 47 ? 7.413 -3.368 9.822 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 6 -ATOM 8742 O O . LEU A 1 47 ? 8.335 -3.505 9.003 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 6 -ATOM 8743 C CB . LEU A 1 47 ? 5.423 -3.701 8.370 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 6 -ATOM 8744 C CG . LEU A 1 47 ? 4.052 -3.277 7.849 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 6 -ATOM 8745 C CD1 . LEU A 1 47 ? 3.530 -4.304 6.880 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 6 -ATOM 8746 C CD2 . LEU A 1 47 ? 3.068 -3.095 8.983 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 6 -ATOM 8747 H H . LEU A 1 47 ? 6.445 -1.366 7.876 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 6 -ATOM 8748 H HA . LEU A 1 47 ? 5.443 -2.678 10.253 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 6 -ATOM 8749 H HB2 . LEU A 1 47 ? 6.084 -3.769 7.520 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 6 -ATOM 8750 H HB3 . LEU A 1 47 ? 5.329 -4.682 8.809 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 6 -ATOM 8751 H HG . LEU A 1 47 ? 4.147 -2.337 7.325 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 6 -ATOM 8752 H HD11 . LEU A 1 47 ? 2.550 -4.000 6.542 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 6 -ATOM 8753 H HD12 . LEU A 1 47 ? 3.461 -5.258 7.382 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 6 -ATOM 8754 H HD13 . LEU A 1 47 ? 4.198 -4.382 6.035 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 6 -ATOM 8755 H HD21 . LEU A 1 47 ? 3.409 -2.316 9.647 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 6 -ATOM 8756 H HD22 . LEU A 1 47 ? 2.967 -4.025 9.524 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 6 -ATOM 8757 H HD23 . LEU A 1 47 ? 2.115 -2.818 8.556 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 6 -ATOM 8758 N N . ARG A 1 48 ? 7.508 -3.697 11.077 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 6 -ATOM 8759 C CA . ARG A 1 48 ? 8.730 -4.192 11.670 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 6 -ATOM 8760 C C . ARG A 1 48 ? 9.142 -5.538 11.055 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 6 -ATOM 8761 O O . ARG A 1 48 ? 8.355 -6.487 11.030 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 6 -ATOM 8762 C CB . ARG A 1 48 ? 8.547 -4.323 13.192 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 6 -ATOM 8763 C CG . ARG A 1 48 ? 9.820 -4.651 13.966 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 6 -ATOM 8764 C CD . ARG A 1 48 ? 10.872 -3.566 13.773 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 6 -ATOM 8765 N NE . ARG A 1 48 ? 10.391 -2.241 14.191 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 6 -ATOM 8766 C CZ . ARG A 1 48 ? 10.765 -1.068 13.654 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 6 -ATOM 8767 N NH1 . ARG A 1 48 ? 11.605 -1.034 12.621 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 6 -ATOM 8768 N NH2 . ARG A 1 48 ? 10.284 0.071 14.146 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 6 -ATOM 8769 H H . ARG A 1 48 ? 6.707 -3.604 11.639 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 6 -ATOM 8770 H HA . ARG A 1 48 ? 9.503 -3.463 11.479 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 6 -ATOM 8771 H HB2 . ARG A 1 48 ? 8.159 -3.389 13.571 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 6 -ATOM 8772 H HB3 . ARG A 1 48 ? 7.822 -5.101 13.385 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 6 -ATOM 8773 H HG2 . ARG A 1 48 ? 9.582 -4.725 15.017 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 6 -ATOM 8774 H HG3 . ARG A 1 48 ? 10.213 -5.593 13.614 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 6 -ATOM 8775 H HD2 . ARG A 1 48 ? 11.747 -3.818 14.352 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 6 -ATOM 8776 H HD3 . ARG A 1 48 ? 11.133 -3.529 12.728 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 6 -ATOM 8777 H HE . ARG A 1 48 ? 9.752 -2.256 14.943 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 6 -ATOM 8778 H HH11 . ARG A 1 48 ? 11.980 -1.874 12.216 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 6 -ATOM 8779 H HH12 . ARG A 1 48 ? 11.895 -0.167 12.210 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 6 -ATOM 8780 H HH21 . ARG A 1 48 ? 9.632 0.080 14.912 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 6 -ATOM 8781 H HH22 . ARG A 1 48 ? 10.563 0.963 13.778 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 6 -ATOM 8782 N N . GLY A 1 49 ? 10.351 -5.594 10.519 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 6 -ATOM 8783 C CA . GLY A 1 49 ? 10.877 -6.831 9.959 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 6 -ATOM 8784 C C . GLY A 1 49 ? 10.641 -6.944 8.467 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 6 -ATOM 8785 O O . GLY A 1 49 ? 11.433 -7.550 7.743 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 6 -ATOM 8786 H H . GLY A 1 49 ? 10.900 -4.781 10.490 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 6 -ATOM 8787 H HA2 . GLY A 1 49 ? 11.939 -6.876 10.149 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 6 -ATOM 8788 H HA3 . GLY A 1 49 ? 10.398 -7.664 10.452 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 6 -ATOM 8789 N N . MET A 1 50 ? 9.577 -6.334 8.011 1.00 0.00 ? ? ? ? ? ? 47 MET A N 6 -ATOM 8790 C CA . MET A 1 50 ? 9.185 -6.375 6.615 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 6 -ATOM 8791 C C . MET A 1 50 ? 10.075 -5.459 5.798 1.00 0.00 ? ? ? ? ? ? 47 MET A C 6 -ATOM 8792 O O . MET A 1 50 ? 10.422 -4.359 6.264 1.00 0.00 ? ? ? ? ? ? 47 MET A O 6 -ATOM 8793 C CB . MET A 1 50 ? 7.725 -5.951 6.468 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 6 -ATOM 8794 C CG . MET A 1 50 ? 6.729 -6.910 7.096 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 6 -ATOM 8795 S SD . MET A 1 50 ? 6.594 -8.482 6.210 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 6 -ATOM 8796 C CE . MET A 1 50 ? 5.848 -7.936 4.666 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 6 -ATOM 8797 H H . MET A 1 50 ? 9.045 -5.812 8.649 1.00 0.00 ? ? ? ? ? ? 47 MET A H 6 -ATOM 8798 H HA . MET A 1 50 ? 9.291 -7.391 6.266 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 6 -ATOM 8799 H HB2 . MET A 1 50 ? 7.611 -4.987 6.941 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 6 -ATOM 8800 H HB3 . MET A 1 50 ? 7.497 -5.852 5.418 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 6 -ATOM 8801 H HG2 . MET A 1 50 ? 7.049 -7.114 8.106 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 6 -ATOM 8802 H HG3 . MET A 1 50 ? 5.757 -6.439 7.119 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 6 -ATOM 8803 H HE1 . MET A 1 50 ? 5.700 -8.788 4.018 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 6 -ATOM 8804 H HE2 . MET A 1 50 ? 6.489 -7.221 4.173 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 6 -ATOM 8805 H HE3 . MET A 1 50 ? 4.891 -7.483 4.876 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 6 -ATOM 8806 N N . PRO A 1 51 ? 10.480 -5.893 4.587 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 6 -ATOM 8807 C CA . PRO A 1 51 ? 11.343 -5.103 3.708 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 6 -ATOM 8808 C C . PRO A 1 51 ? 10.680 -3.803 3.246 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 6 -ATOM 8809 O O . PRO A 1 51 ? 9.918 -3.785 2.271 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 6 -ATOM 8810 C CB . PRO A 1 51 ? 11.638 -6.029 2.522 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 6 -ATOM 8811 C CG . PRO A 1 51 ? 10.555 -7.054 2.550 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 6 -ATOM 8812 C CD . PRO A 1 51 ? 10.137 -7.202 3.986 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 6 -ATOM 8813 H HA . PRO A 1 51 ? 12.263 -4.854 4.215 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 6 -ATOM 8814 H HB2 . PRO A 1 51 ? 11.620 -5.455 1.607 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 6 -ATOM 8815 H HB3 . PRO A 1 51 ? 12.611 -6.479 2.647 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 6 -ATOM 8816 H HG2 . PRO A 1 51 ? 9.719 -6.714 1.956 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 6 -ATOM 8817 H HG3 . PRO A 1 51 ? 10.929 -7.993 2.169 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 6 -ATOM 8818 H HD2 . PRO A 1 51 ? 9.076 -7.388 4.050 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 6 -ATOM 8819 H HD3 . PRO A 1 51 ? 10.690 -7.998 4.462 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 6 -ATOM 8820 N N . ASP A 1 52 ? 10.914 -2.750 4.039 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 6 -ATOM 8821 C CA . ASP A 1 52 ? 10.394 -1.392 3.819 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 6 -ATOM 8822 C C . ASP A 1 52 ? 8.924 -1.371 3.480 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 6 -ATOM 8823 O O . ASP A 1 52 ? 8.492 -0.672 2.570 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 6 -ATOM 8824 C CB . ASP A 1 52 ? 11.215 -0.593 2.794 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 6 -ATOM 8825 C CG . ASP A 1 52 ? 12.553 -0.162 3.330 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 6 -ATOM 8826 O OD1 . ASP A 1 52 ? 12.596 0.703 4.238 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 6 -ATOM 8827 O OD2 . ASP A 1 52 ? 13.594 -0.687 2.885 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 6 -ATOM 8828 H H . ASP A 1 52 ? 11.473 -2.927 4.824 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 6 -ATOM 8829 H HA . ASP A 1 52 ? 10.486 -0.898 4.776 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 6 -ATOM 8830 H HB2 . ASP A 1 52 ? 11.386 -1.209 1.923 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 6 -ATOM 8831 H HB3 . ASP A 1 52 ? 10.658 0.285 2.503 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 6 -ATOM 8832 N N . CYS A 1 53 ? 8.154 -2.113 4.227 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 6 -ATOM 8833 C CA . CYS A 1 53 ? 6.740 -2.157 4.005 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 6 -ATOM 8834 C C . CYS A 1 53 ? 6.062 -1.252 5.008 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 6 -ATOM 8835 O O . CYS A 1 53 ? 6.511 -1.141 6.152 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 6 -ATOM 8836 C CB . CYS A 1 53 ? 6.229 -3.587 4.125 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 6 -ATOM 8837 S SG . CYS A 1 53 ? 7.063 -4.760 3.026 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 6 -ATOM 8838 H H . CYS A 1 53 ? 8.544 -2.641 4.953 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 6 -ATOM 8839 H HA . CYS A 1 53 ? 6.539 -1.786 3.013 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 6 -ATOM 8840 H HB2 . CYS A 1 53 ? 6.372 -3.926 5.141 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 6 -ATOM 8841 H HB3 . CYS A 1 53 ? 5.175 -3.605 3.890 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 6 -ATOM 8842 H HG . CYS A 1 53 ? 8.157 -4.168 2.553 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 6 -ATOM 8843 N N . TYR A 1 54 ? 5.036 -0.580 4.574 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 6 -ATOM 8844 C CA . TYR A 1 54 ? 4.313 0.358 5.393 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 6 -ATOM 8845 C C . TYR A 1 54 ? 2.839 0.112 5.223 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 6 -ATOM 8846 O O . TYR A 1 54 ? 2.406 -0.373 4.165 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 6 -ATOM 8847 C CB . TYR A 1 54 ? 4.626 1.811 4.976 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 6 -ATOM 8848 C CG . TYR A 1 54 ? 6.086 2.211 5.063 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 6 -ATOM 8849 C CD1 . TYR A 1 54 ? 6.986 1.841 4.083 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 6 -ATOM 8850 C CD2 . TYR A 1 54 ? 6.558 2.959 6.118 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 6 -ATOM 8851 C CE1 . TYR A 1 54 ? 8.311 2.195 4.156 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 6 -ATOM 8852 C CE2 . TYR A 1 54 ? 7.886 3.319 6.195 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 6 -ATOM 8853 C CZ . TYR A 1 54 ? 8.753 2.931 5.209 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 6 -ATOM 8854 O OH . TYR A 1 54 ? 10.078 3.274 5.289 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 6 -ATOM 8855 H H . TYR A 1 54 ? 4.736 -0.717 3.645 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 6 -ATOM 8856 H HA . TYR A 1 54 ? 4.594 0.219 6.425 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 6 -ATOM 8857 H HB2 . TYR A 1 54 ? 4.314 1.950 3.952 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 6 -ATOM 8858 H HB3 . TYR A 1 54 ? 4.057 2.482 5.603 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 6 -ATOM 8859 H HD1 . TYR A 1 54 ? 6.634 1.254 3.248 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 6 -ATOM 8860 H HD2 . TYR A 1 54 ? 5.874 3.264 6.896 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 6 -ATOM 8861 H HE1 . TYR A 1 54 ? 8.994 1.892 3.376 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 6 -ATOM 8862 H HE2 . TYR A 1 54 ? 8.238 3.903 7.033 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 6 -ATOM 8863 H HH . TYR A 1 54 ? 10.369 3.618 4.435 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 6 -ATOM 8864 N N . LYS A 1 55 ? 2.080 0.419 6.235 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 6 -ATOM 8865 C CA . LYS A 1 55 ? 0.653 0.254 6.183 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 6 -ATOM 8866 C C . LYS A 1 55 ? -0.049 1.586 6.405 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 6 -ATOM 8867 O O . LYS A 1 55 ? 0.389 2.405 7.221 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 6 -ATOM 8868 C CB . LYS A 1 55 ? 0.168 -0.768 7.237 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 6 -ATOM 8869 C CG . LYS A 1 55 ? 0.528 -0.406 8.680 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 6 -ATOM 8870 C CD . LYS A 1 55 ? -0.148 -1.329 9.680 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 6 -ATOM 8871 C CE . LYS A 1 55 ? 0.252 -0.986 11.108 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 6 -ATOM 8872 N NZ . LYS A 1 55 ? -0.517 -1.761 12.107 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 6 -ATOM 8873 H H . LYS A 1 55 ? 2.499 0.783 7.048 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 6 -ATOM 8874 H HA . LYS A 1 55 ? 0.397 -0.117 5.202 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 6 -ATOM 8875 H HB2 . LYS A 1 55 ? -0.907 -0.847 7.170 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 6 -ATOM 8876 H HB3 . LYS A 1 55 ? 0.601 -1.731 7.009 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 6 -ATOM 8877 H HG2 . LYS A 1 55 ? 1.599 -0.480 8.805 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 6 -ATOM 8878 H HG3 . LYS A 1 55 ? 0.217 0.609 8.870 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 6 -ATOM 8879 H HD2 . LYS A 1 55 ? -1.219 -1.225 9.583 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 6 -ATOM 8880 H HD3 . LYS A 1 55 ? 0.132 -2.350 9.470 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 6 -ATOM 8881 H HE2 . LYS A 1 55 ? 1.300 -1.217 11.227 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 6 -ATOM 8882 H HE3 . LYS A 1 55 ? 0.103 0.070 11.273 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 6 -ATOM 8883 H HZ1 . LYS A 1 55 ? -0.351 -2.783 12.028 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 6 -ATOM 8884 H HZ2 . LYS A 1 55 ? -1.539 -1.588 12.042 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 6 -ATOM 8885 H HZ3 . LYS A 1 55 ? -0.246 -1.483 13.073 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 6 -ATOM 8886 N N . ILE A 1 56 ? -1.100 1.807 5.670 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 6 -ATOM 8887 C CA . ILE A 1 56 ? -1.949 2.965 5.856 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 6 -ATOM 8888 C C . ILE A 1 56 ? -3.341 2.472 6.182 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 6 -ATOM 8889 O O . ILE A 1 56 ? -3.823 1.523 5.559 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 6 -ATOM 8890 C CB . ILE A 1 56 ? -1.989 3.901 4.600 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 6 -ATOM 8891 C CG1 . ILE A 1 56 ? -0.589 4.480 4.318 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 6 -ATOM 8892 C CG2 . ILE A 1 56 ? -3.021 5.029 4.779 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 6 -ATOM 8893 C CD1 . ILE A 1 56 ? -0.534 5.448 3.150 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 6 -ATOM 8894 H H . ILE A 1 56 ? -1.325 1.161 4.961 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 6 -ATOM 8895 H HA . ILE A 1 56 ? -1.570 3.515 6.705 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 6 -ATOM 8896 H HB . ILE A 1 56 ? -2.298 3.305 3.753 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 6 -ATOM 8897 H HG12 . ILE A 1 56 ? -0.246 5.009 5.194 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 6 -ATOM 8898 H HG13 . ILE A 1 56 ? 0.091 3.666 4.111 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 6 -ATOM 8899 H HG21 . ILE A 1 56 ? -3.055 5.638 3.888 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 6 -ATOM 8900 H HG22 . ILE A 1 56 ? -2.747 5.662 5.611 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 6 -ATOM 8901 H HG23 . ILE A 1 56 ? -4.001 4.614 4.960 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 6 -ATOM 8902 H HD11 . ILE A 1 56 ? 0.489 5.754 2.983 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 6 -ATOM 8903 H HD12 . ILE A 1 56 ? -1.124 6.318 3.393 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 6 -ATOM 8904 H HD13 . ILE A 1 56 ? -0.927 4.978 2.261 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 6 -ATOM 8905 N N . LYS A 1 57 ? -3.953 3.072 7.169 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 6 -ATOM 8906 C CA . LYS A 1 57 ? -5.277 2.694 7.598 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 6 -ATOM 8907 C C . LYS A 1 57 ? -6.325 3.734 7.198 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 6 -ATOM 8908 O O . LYS A 1 57 ? -5.997 4.911 6.968 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 6 -ATOM 8909 C CB . LYS A 1 57 ? -5.293 2.337 9.099 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 6 -ATOM 8910 C CG . LYS A 1 57 ? -4.507 3.270 10.000 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 6 -ATOM 8911 C CD . LYS A 1 57 ? -5.120 4.639 10.114 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 6 -ATOM 8912 C CE . LYS A 1 57 ? -4.178 5.549 10.833 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 6 -ATOM 8913 N NZ . LYS A 1 57 ? -4.729 6.891 11.037 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 6 -ATOM 8914 H H . LYS A 1 57 ? -3.515 3.826 7.615 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 6 -ATOM 8915 H HA . LYS A 1 57 ? -5.507 1.802 7.037 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 6 -ATOM 8916 H HB2 . LYS A 1 57 ? -6.316 2.366 9.437 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 6 -ATOM 8917 H HB3 . LYS A 1 57 ? -4.908 1.337 9.230 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 6 -ATOM 8918 H HG2 . LYS A 1 57 ? -4.454 2.837 10.986 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 6 -ATOM 8919 H HG3 . LYS A 1 57 ? -3.506 3.361 9.603 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 6 -ATOM 8920 H HD2 . LYS A 1 57 ? -5.317 5.022 9.124 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 6 -ATOM 8921 H HD3 . LYS A 1 57 ? -6.040 4.563 10.673 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 6 -ATOM 8922 H HE2 . LYS A 1 57 ? -3.929 5.106 11.784 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 6 -ATOM 8923 H HE3 . LYS A 1 57 ? -3.300 5.614 10.208 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 6 -ATOM 8924 H HZ1 . LYS A 1 57 ? -5.629 6.853 11.555 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 6 -ATOM 8925 H HZ2 . LYS A 1 57 ? -4.854 7.397 10.137 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 6 -ATOM 8926 H HZ3 . LYS A 1 57 ? -4.059 7.446 11.611 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 6 -ATOM 8927 N N . LEU A 1 58 ? -7.560 3.314 7.126 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 6 -ATOM 8928 C CA . LEU A 1 58 ? -8.612 4.154 6.612 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 6 -ATOM 8929 C C . LEU A 1 58 ? -9.334 4.901 7.737 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 6 -ATOM 8930 O O . LEU A 1 58 ? -9.194 4.568 8.924 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 6 -ATOM 8931 C CB . LEU A 1 58 ? -9.628 3.305 5.844 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 6 -ATOM 8932 C CG . LEU A 1 58 ? -10.475 4.040 4.820 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 6 -ATOM 8933 C CD1 . LEU A 1 58 ? -9.668 4.307 3.584 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 6 -ATOM 8934 C CD2 . LEU A 1 58 ? -11.743 3.293 4.487 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 6 -ATOM 8935 H H . LEU A 1 58 ? -7.766 2.396 7.413 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 6 -ATOM 8936 H HA . LEU A 1 58 ? -8.165 4.862 5.932 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 6 -ATOM 8937 H HB2 . LEU A 1 58 ? -9.087 2.520 5.337 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 6 -ATOM 8938 H HB3 . LEU A 1 58 ? -10.290 2.846 6.564 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 6 -ATOM 8939 H HG . LEU A 1 58 ? -10.745 5.002 5.229 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 6 -ATOM 8940 H HD11 . LEU A 1 58 ? -9.263 3.378 3.211 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 6 -ATOM 8941 H HD12 . LEU A 1 58 ? -8.868 4.999 3.798 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 6 -ATOM 8942 H HD13 . LEU A 1 58 ? -10.325 4.721 2.835 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 6 -ATOM 8943 H HD21 . LEU A 1 58 ? -11.503 2.301 4.141 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 6 -ATOM 8944 H HD22 . LEU A 1 58 ? -12.250 3.839 3.704 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 6 -ATOM 8945 H HD23 . LEU A 1 58 ? -12.378 3.240 5.358 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 6 -ATOM 8946 N N . ARG A 1 59 ? -10.109 5.897 7.361 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 6 -ATOM 8947 C CA . ARG A 1 59 ? -10.892 6.667 8.304 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 6 -ATOM 8948 C C . ARG A 1 59 ? -12.281 6.058 8.499 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 6 -ATOM 8949 O O . ARG A 1 59 ? -12.665 5.742 9.619 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 6 -ATOM 8950 C CB . ARG A 1 59 ? -11.008 8.124 7.847 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 6 -ATOM 8951 C CG . ARG A 1 59 ? -9.700 8.906 7.879 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 6 -ATOM 8952 C CD . ARG A 1 59 ? -9.160 9.006 9.296 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 6 -ATOM 8953 N NE . ARG A 1 59 ? -7.915 9.780 9.379 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 6 -ATOM 8954 C CZ . ARG A 1 59 ? -7.060 9.732 10.420 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 6 -ATOM 8955 N NH1 . ARG A 1 59 ? -7.236 8.837 11.397 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 6 -ATOM 8956 N NH2 . ARG A 1 59 ? -6.011 10.541 10.460 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 6 -ATOM 8957 H H . ARG A 1 59 ? -10.150 6.138 6.412 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 6 -ATOM 8958 H HA . ARG A 1 59 ? -10.382 6.642 9.253 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 6 -ATOM 8959 H HB2 . ARG A 1 59 ? -11.380 8.133 6.832 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 6 -ATOM 8960 H HB3 . ARG A 1 59 ? -11.724 8.625 8.480 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 6 -ATOM 8961 H HG2 . ARG A 1 59 ? -8.973 8.402 7.260 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 6 -ATOM 8962 H HG3 . ARG A 1 59 ? -9.877 9.901 7.498 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 6 -ATOM 8963 H HD2 . ARG A 1 59 ? -9.902 9.482 9.920 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 6 -ATOM 8964 H HD3 . ARG A 1 59 ? -8.971 8.009 9.665 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 6 -ATOM 8965 H HE . ARG A 1 59 ? -7.757 10.383 8.616 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 6 -ATOM 8966 H HH11 . ARG A 1 59 ? -7.987 8.170 11.386 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 6 -ATOM 8967 H HH12 . ARG A 1 59 ? -6.630 8.794 12.198 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 6 -ATOM 8968 H HH21 . ARG A 1 59 ? -5.813 11.208 9.737 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 6 -ATOM 8969 H HH22 . ARG A 1 59 ? -5.360 10.503 11.224 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 6 -ATOM 8970 N N . SER A 1 60 ? -13.011 5.875 7.401 1.00 0.00 ? ? ? ? ? ? 57 SER A N 6 -ATOM 8971 C CA . SER A 1 60 ? -14.383 5.362 7.443 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 6 -ATOM 8972 C C . SER A 1 60 ? -14.493 3.971 8.123 1.00 0.00 ? ? ? ? ? ? 57 SER A C 6 -ATOM 8973 O O . SER A 1 60 ? -15.175 3.815 9.138 1.00 0.00 ? ? ? ? ? ? 57 SER A O 6 -ATOM 8974 C CB . SER A 1 60 ? -14.936 5.305 6.027 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 6 -ATOM 8975 O OG . SER A 1 60 ? -14.781 6.559 5.367 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 6 -ATOM 8976 H H . SER A 1 60 ? -12.639 6.123 6.527 1.00 0.00 ? ? ? ? ? ? 57 SER A H 6 -ATOM 8977 H HA . SER A 1 60 ? -14.977 6.065 8.008 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 6 -ATOM 8978 H HB2 . SER A 1 60 ? -14.409 4.547 5.465 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 6 -ATOM 8979 H HB3 . SER A 1 60 ? -15.985 5.060 6.068 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 6 -ATOM 8980 H HG . SER A 1 60 ? -14.695 7.250 6.040 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 6 -ATOM 8981 N N . SER A 1 61 ? -13.814 2.985 7.580 1.00 0.00 ? ? ? ? ? ? 58 SER A N 6 -ATOM 8982 C CA . SER A 1 61 ? -13.866 1.644 8.113 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 6 -ATOM 8983 C C . SER A 1 61 ? -12.471 1.057 8.225 1.00 0.00 ? ? ? ? ? ? 58 SER A C 6 -ATOM 8984 O O . SER A 1 61 ? -11.487 1.749 7.929 1.00 0.00 ? ? ? ? ? ? 58 SER A O 6 -ATOM 8985 C CB . SER A 1 61 ? -14.797 0.771 7.270 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 6 -ATOM 8986 O OG . SER A 1 61 ? -16.134 1.270 7.335 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 6 -ATOM 8987 H H . SER A 1 61 ? -13.237 3.153 6.809 1.00 0.00 ? ? ? ? ? ? 58 SER A H 6 -ATOM 8988 H HA . SER A 1 61 ? -14.269 1.721 9.112 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 6 -ATOM 8989 H HB2 . SER A 1 61 ? -14.468 0.788 6.242 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 6 -ATOM 8990 H HB3 . SER A 1 61 ? -14.784 -0.242 7.640 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 6 -ATOM 8991 H HG . SER A 1 61 ? -16.252 1.904 6.616 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 6 -ATOM 8992 N N . GLY A 1 62 ? -12.378 -0.186 8.650 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 6 -ATOM 8993 C CA . GLY A 1 62 ? -11.105 -0.823 8.900 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 6 -ATOM 8994 C C . GLY A 1 62 ? -10.428 -1.372 7.657 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 6 -ATOM 8995 O O . GLY A 1 62 ? -10.209 -2.582 7.542 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 6 -ATOM 8996 H H . GLY A 1 62 ? -13.187 -0.721 8.811 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 6 -ATOM 8997 H HA2 . GLY A 1 62 ? -10.448 -0.104 9.364 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 6 -ATOM 8998 H HA3 . GLY A 1 62 ? -11.264 -1.633 9.595 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 6 -ATOM 8999 N N . TYR A 1 63 ? -10.095 -0.500 6.745 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 6 -ATOM 9000 C CA . TYR A 1 63 ? -9.373 -0.872 5.544 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 6 -ATOM 9001 C C . TYR A 1 63 ? -7.940 -0.462 5.694 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 6 -ATOM 9002 O O . TYR A 1 63 ? -7.656 0.592 6.259 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 6 -ATOM 9003 C CB . TYR A 1 63 ? -9.969 -0.228 4.291 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 6 -ATOM 9004 C CG . TYR A 1 63 ? -11.285 -0.819 3.842 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 6 -ATOM 9005 C CD1 . TYR A 1 63 ? -12.471 -0.510 4.485 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 6 -ATOM 9006 C CD2 . TYR A 1 63 ? -11.332 -1.692 2.762 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 6 -ATOM 9007 C CE1 . TYR A 1 63 ? -13.667 -1.054 4.070 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 6 -ATOM 9008 C CE2 . TYR A 1 63 ? -12.523 -2.239 2.338 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 6 -ATOM 9009 C CZ . TYR A 1 63 ? -13.690 -1.917 2.997 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 6 -ATOM 9010 O OH . TYR A 1 63 ? -14.886 -2.471 2.584 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 6 -ATOM 9011 H H . TYR A 1 63 ? -10.307 0.445 6.905 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 6 -ATOM 9012 H HA . TYR A 1 63 ? -9.417 -1.946 5.452 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 6 -ATOM 9013 H HB2 . TYR A 1 63 ? -10.131 0.821 4.484 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 6 -ATOM 9014 H HB3 . TYR A 1 63 ? -9.263 -0.326 3.479 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 6 -ATOM 9015 H HD1 . TYR A 1 63 ? -12.449 0.167 5.326 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 6 -ATOM 9016 H HD2 . TYR A 1 63 ? -10.415 -1.943 2.250 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 6 -ATOM 9017 H HE1 . TYR A 1 63 ? -14.577 -0.801 4.589 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 6 -ATOM 9018 H HE2 . TYR A 1 63 ? -12.538 -2.915 1.497 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 6 -ATOM 9019 H HH . TYR A 1 63 ? -15.535 -1.759 2.521 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 6 -ATOM 9020 N N . ARG A 1 64 ? -7.042 -1.295 5.250 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 6 -ATOM 9021 C CA . ARG A 1 64 ? -5.635 -1.011 5.339 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 6 -ATOM 9022 C C . ARG A 1 64 ? -4.960 -1.372 4.044 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 6 -ATOM 9023 O O . ARG A 1 64 ? -5.328 -2.351 3.381 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 6 -ATOM 9024 C CB . ARG A 1 64 ? -4.921 -1.714 6.538 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 6 -ATOM 9025 C CG . ARG A 1 64 ? -5.363 -1.249 7.936 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 6 -ATOM 9026 C CD . ARG A 1 64 ? -6.669 -1.894 8.376 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 6 -ATOM 9027 N NE . ARG A 1 64 ? -7.240 -1.268 9.577 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 6 -ATOM 9028 C CZ . ARG A 1 64 ? -7.726 -1.931 10.638 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 6 -ATOM 9029 N NH1 . ARG A 1 64 ? -7.417 -3.204 10.831 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 6 -ATOM 9030 N NH2 . ARG A 1 64 ? -8.443 -1.296 11.553 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 6 -ATOM 9031 H H . ARG A 1 64 ? -7.315 -2.119 4.781 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 6 -ATOM 9032 H HA . ARG A 1 64 ? -5.547 0.058 5.462 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 6 -ATOM 9033 H HB2 . ARG A 1 64 ? -5.103 -2.776 6.469 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 6 -ATOM 9034 H HB3 . ARG A 1 64 ? -3.859 -1.545 6.444 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 6 -ATOM 9035 H HG2 . ARG A 1 64 ? -4.593 -1.494 8.652 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 6 -ATOM 9036 H HG3 . ARG A 1 64 ? -5.494 -0.177 7.909 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 6 -ATOM 9037 H HD2 . ARG A 1 64 ? -7.382 -1.804 7.570 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 6 -ATOM 9038 H HD3 . ARG A 1 64 ? -6.492 -2.940 8.575 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 6 -ATOM 9039 H HE . ARG A 1 64 ? -7.339 -0.291 9.508 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 6 -ATOM 9040 H HH11 . ARG A 1 64 ? -6.810 -3.698 10.210 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 6 -ATOM 9041 H HH12 . ARG A 1 64 ? -7.796 -3.709 11.612 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 6 -ATOM 9042 H HH21 . ARG A 1 64 ? -8.650 -0.315 11.510 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 6 -ATOM 9043 H HH22 . ARG A 1 64 ? -8.832 -1.796 12.333 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 6 -ATOM 9044 N N . LEU A 1 65 ? -4.013 -0.582 3.676 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 6 -ATOM 9045 C CA . LEU A 1 65 ? -3.271 -0.782 2.472 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 6 -ATOM 9046 C C . LEU A 1 65 ? -1.809 -0.957 2.856 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 6 -ATOM 9047 O O . LEU A 1 65 ? -1.267 -0.157 3.630 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 6 -ATOM 9048 C CB . LEU A 1 65 ? -3.521 0.428 1.529 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 6 -ATOM 9049 C CG . LEU A 1 65 ? -2.909 0.404 0.114 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 6 -ATOM 9050 C CD1 . LEU A 1 65 ? -3.598 1.434 -0.763 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 6 -ATOM 9051 C CD2 . LEU A 1 65 ? -1.437 0.726 0.159 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 6 -ATOM 9052 H H . LEU A 1 65 ? -3.793 0.186 4.249 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 6 -ATOM 9053 H HA . LEU A 1 65 ? -3.625 -1.687 2.001 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 6 -ATOM 9054 H HB2 . LEU A 1 65 ? -4.589 0.533 1.415 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 6 -ATOM 9055 H HB3 . LEU A 1 65 ? -3.157 1.310 2.035 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 6 -ATOM 9056 H HG . LEU A 1 65 ? -3.039 -0.575 -0.326 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 6 -ATOM 9057 H HD11 . LEU A 1 65 ? -3.480 2.415 -0.326 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 6 -ATOM 9058 H HD12 . LEU A 1 65 ? -4.648 1.196 -0.846 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 6 -ATOM 9059 H HD13 . LEU A 1 65 ? -3.149 1.421 -1.745 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 6 -ATOM 9060 H HD21 . LEU A 1 65 ? -1.038 0.743 -0.845 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 6 -ATOM 9061 H HD22 . LEU A 1 65 ? -0.924 -0.025 0.742 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 6 -ATOM 9062 H HD23 . LEU A 1 65 ? -1.307 1.694 0.619 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 6 -ATOM 9063 N N . VAL A 1 66 ? -1.194 -2.011 2.360 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 6 -ATOM 9064 C CA . VAL A 1 66 ? 0.185 -2.320 2.680 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 6 -ATOM 9065 C C . VAL A 1 66 ? 1.027 -2.240 1.407 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 6 -ATOM 9066 O O . VAL A 1 66 ? 0.708 -2.878 0.379 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 6 -ATOM 9067 C CB . VAL A 1 66 ? 0.329 -3.740 3.315 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 6 -ATOM 9068 C CG1 . VAL A 1 66 ? 1.762 -3.997 3.769 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 6 -ATOM 9069 C CG2 . VAL A 1 66 ? -0.635 -3.921 4.485 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 6 -ATOM 9070 H H . VAL A 1 66 ? -1.667 -2.599 1.729 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 6 -ATOM 9071 H HA . VAL A 1 66 ? 0.539 -1.581 3.381 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 6 -ATOM 9072 H HB . VAL A 1 66 ? 0.085 -4.470 2.557 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 6 -ATOM 9073 H HG11 . VAL A 1 66 ? 1.842 -4.993 4.176 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 6 -ATOM 9074 H HG12 . VAL A 1 66 ? 2.022 -3.289 4.544 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 6 -ATOM 9075 H HG13 . VAL A 1 66 ? 2.439 -3.887 2.935 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 6 -ATOM 9076 H HG21 . VAL A 1 66 ? -0.422 -3.184 5.244 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 6 -ATOM 9077 H HG22 . VAL A 1 66 ? -0.519 -4.910 4.902 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 6 -ATOM 9078 H HG23 . VAL A 1 66 ? -1.651 -3.795 4.137 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 6 -ATOM 9079 N N . TYR A 1 67 ? 2.074 -1.469 1.464 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 6 -ATOM 9080 C CA . TYR A 1 67 ? 2.939 -1.264 0.330 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 6 -ATOM 9081 C C . TYR A 1 67 ? 4.381 -1.346 0.743 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 6 -ATOM 9082 O O . TYR A 1 67 ? 4.694 -1.207 1.919 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 6 -ATOM 9083 C CB . TYR A 1 67 ? 2.660 0.090 -0.359 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 6 -ATOM 9084 C CG . TYR A 1 67 ? 2.764 1.324 0.528 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 6 -ATOM 9085 C CD1 . TYR A 1 67 ? 3.979 1.759 1.049 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 6 -ATOM 9086 C CD2 . TYR A 1 67 ? 1.645 2.067 0.809 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 6 -ATOM 9087 C CE1 . TYR A 1 67 ? 4.056 2.888 1.823 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 6 -ATOM 9088 C CE2 . TYR A 1 67 ? 1.712 3.193 1.580 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 6 -ATOM 9089 C CZ . TYR A 1 67 ? 2.920 3.601 2.087 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 6 -ATOM 9090 O OH . TYR A 1 67 ? 2.987 4.721 2.868 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 6 -ATOM 9091 H H . TYR A 1 67 ? 2.295 -1.028 2.315 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 6 -ATOM 9092 H HA . TYR A 1 67 ? 2.740 -2.054 -0.379 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 6 -ATOM 9093 H HB2 . TYR A 1 67 ? 3.358 0.222 -1.171 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 6 -ATOM 9094 H HB3 . TYR A 1 67 ? 1.659 0.065 -0.764 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 6 -ATOM 9095 H HD1 . TYR A 1 67 ? 4.872 1.187 0.841 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 6 -ATOM 9096 H HD2 . TYR A 1 67 ? 0.697 1.746 0.409 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 6 -ATOM 9097 H HE1 . TYR A 1 67 ? 5.009 3.210 2.213 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 6 -ATOM 9098 H HE2 . TYR A 1 67 ? 0.808 3.750 1.774 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 6 -ATOM 9099 H HH . TYR A 1 67 ? 2.263 4.696 3.499 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 6 -ATOM 9100 N N . GLN A 1 68 ? 5.236 -1.595 -0.198 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 6 -ATOM 9101 C CA . GLN A 1 68 ? 6.649 -1.572 0.049 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 6 -ATOM 9102 C C . GLN A 1 68 ? 7.232 -0.358 -0.635 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 6 -ATOM 9103 O O . GLN A 1 68 ? 6.801 0.016 -1.730 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 6 -ATOM 9104 C CB . GLN A 1 68 ? 7.345 -2.833 -0.464 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 6 -ATOM 9105 C CG . GLN A 1 68 ? 7.191 -3.055 -1.962 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 6 -ATOM 9106 C CD . GLN A 1 68 ? 8.006 -4.205 -2.500 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 6 -ATOM 9107 O OE1 . GLN A 1 68 ? 7.604 -4.852 -3.456 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 6 -ATOM 9108 N NE2 . GLN A 1 68 ? 9.170 -4.439 -1.941 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 6 -ATOM 9109 H H . GLN A 1 68 ? 4.912 -1.768 -1.110 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 6 -ATOM 9110 H HA . GLN A 1 68 ? 6.809 -1.477 1.111 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 6 -ATOM 9111 H HB2 . GLN A 1 68 ? 8.396 -2.754 -0.235 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 6 -ATOM 9112 H HB3 . GLN A 1 68 ? 6.942 -3.690 0.055 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 6 -ATOM 9113 H HG2 . GLN A 1 68 ? 6.151 -3.253 -2.175 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 6 -ATOM 9114 H HG3 . GLN A 1 68 ? 7.486 -2.150 -2.473 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 6 -ATOM 9115 H HE21 . GLN A 1 68 ? 9.471 -3.860 -1.205 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 6 -ATOM 9116 H HE22 . GLN A 1 68 ? 9.712 -5.177 -2.281 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 6 -ATOM 9117 N N . VAL A 1 69 ? 8.146 0.273 -0.002 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 6 -ATOM 9118 C CA . VAL A 1 69 ? 8.808 1.381 -0.598 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 6 -ATOM 9119 C C . VAL A 1 69 ? 10.130 0.907 -1.111 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 6 -ATOM 9120 O O . VAL A 1 69 ? 11.005 0.509 -0.342 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 6 -ATOM 9121 C CB . VAL A 1 69 ? 9.011 2.548 0.396 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 6 -ATOM 9122 C CG1 . VAL A 1 69 ? 9.770 3.703 -0.257 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 6 -ATOM 9123 C CG2 . VAL A 1 69 ? 7.670 3.030 0.904 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 6 -ATOM 9124 H H . VAL A 1 69 ? 8.397 -0.021 0.903 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 6 -ATOM 9125 H HA . VAL A 1 69 ? 8.209 1.723 -1.429 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 6 -ATOM 9126 H HB . VAL A 1 69 ? 9.586 2.190 1.237 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 6 -ATOM 9127 H HG11 . VAL A 1 69 ? 9.897 4.502 0.459 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 6 -ATOM 9128 H HG12 . VAL A 1 69 ? 9.211 4.066 -1.107 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 6 -ATOM 9129 H HG13 . VAL A 1 69 ? 10.737 3.357 -0.586 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 6 -ATOM 9130 H HG21 . VAL A 1 69 ? 7.829 3.768 1.675 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 6 -ATOM 9131 H HG22 . VAL A 1 69 ? 7.120 2.194 1.312 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 6 -ATOM 9132 H HG23 . VAL A 1 69 ? 7.106 3.468 0.094 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 6 -ATOM 9133 N N . ILE A 1 70 ? 10.264 0.888 -2.389 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 6 -ATOM 9134 C CA . ILE A 1 70 ? 11.485 0.502 -2.979 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 6 -ATOM 9135 C C . ILE A 1 70 ? 12.218 1.774 -3.289 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 6 -ATOM 9136 O O . ILE A 1 70 ? 11.987 2.407 -4.332 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 6 -ATOM 9137 C CB . ILE A 1 70 ? 11.256 -0.293 -4.287 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 6 -ATOM 9138 C CG1 . ILE A 1 70 ? 10.260 -1.435 -4.042 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 6 -ATOM 9139 C CG2 . ILE A 1 70 ? 12.583 -0.849 -4.798 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 6 -ATOM 9140 C CD1 . ILE A 1 70 ? 9.858 -2.179 -5.292 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 6 -ATOM 9141 H H . ILE A 1 70 ? 9.524 1.163 -2.977 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 6 -ATOM 9142 H HA . ILE A 1 70 ? 12.048 -0.097 -2.279 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 6 -ATOM 9143 H HB . ILE A 1 70 ? 10.850 0.375 -5.031 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 6 -ATOM 9144 H HG12 . ILE A 1 70 ? 10.703 -2.152 -3.367 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 6 -ATOM 9145 H HG13 . ILE A 1 70 ? 9.366 -1.029 -3.592 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 6 -ATOM 9146 H HG21 . ILE A 1 70 ? 12.415 -1.393 -5.716 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 6 -ATOM 9147 H HG22 . ILE A 1 70 ? 13.002 -1.515 -4.058 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 6 -ATOM 9148 H HG23 . ILE A 1 70 ? 13.270 -0.036 -4.981 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 6 -ATOM 9149 H HD11 . ILE A 1 70 ? 9.164 -2.968 -5.043 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 6 -ATOM 9150 H HD12 . ILE A 1 70 ? 10.742 -2.599 -5.747 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 6 -ATOM 9151 H HD13 . ILE A 1 70 ? 9.393 -1.490 -5.983 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 6 -ATOM 9152 N N . ASP A 1 71 ? 13.076 2.175 -2.384 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 6 -ATOM 9153 C CA . ASP A 1 71 ? 13.815 3.424 -2.539 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 6 -ATOM 9154 C C . ASP A 1 71 ? 14.801 3.308 -3.678 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 6 -ATOM 9155 O O . ASP A 1 71 ? 15.059 4.271 -4.392 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 6 -ATOM 9156 C CB . ASP A 1 71 ? 14.518 3.810 -1.241 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 6 -ATOM 9157 C CG . ASP A 1 71 ? 15.254 5.125 -1.350 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 6 -ATOM 9158 O OD1 . ASP A 1 71 ? 14.616 6.197 -1.239 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 6 -ATOM 9159 O OD2 . ASP A 1 71 ? 16.471 5.119 -1.545 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 6 -ATOM 9160 H H . ASP A 1 71 ? 13.200 1.635 -1.570 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 6 -ATOM 9161 H HA . ASP A 1 71 ? 13.098 4.190 -2.794 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 6 -ATOM 9162 H HB2 . ASP A 1 71 ? 13.788 3.892 -0.449 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 6 -ATOM 9163 H HB3 . ASP A 1 71 ? 15.232 3.040 -0.988 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 6 -ATOM 9164 N N . GLU A 1 72 ? 15.267 2.084 -3.886 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 6 -ATOM 9165 C CA . GLU A 1 72 ? 16.213 1.742 -4.944 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 6 -ATOM 9166 C C . GLU A 1 72 ? 15.658 2.133 -6.316 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 6 -ATOM 9167 O O . GLU A 1 72 ? 16.391 2.556 -7.196 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 6 -ATOM 9168 C CB . GLU A 1 72 ? 16.448 0.237 -4.961 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 6 -ATOM 9169 C CG . GLU A 1 72 ? 16.787 -0.379 -3.622 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 6 -ATOM 9170 C CD . GLU A 1 72 ? 16.987 -1.864 -3.740 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 6 -ATOM 9171 O OE1 . GLU A 1 72 ? 16.053 -2.571 -4.178 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 6 -ATOM 9172 O OE2 . GLU A 1 72 ? 18.092 -2.355 -3.455 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 6 -ATOM 9173 H H . GLU A 1 72 ? 14.970 1.388 -3.266 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 6 -ATOM 9174 H HA . GLU A 1 72 ? 17.153 2.240 -4.761 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 6 -ATOM 9175 H HB2 . GLU A 1 72 ? 15.557 -0.247 -5.330 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 6 -ATOM 9176 H HB3 . GLU A 1 72 ? 17.258 0.025 -5.644 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 6 -ATOM 9177 H HG2 . GLU A 1 72 ? 17.698 0.064 -3.251 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 6 -ATOM 9178 H HG3 . GLU A 1 72 ? 15.981 -0.192 -2.929 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 6 -ATOM 9179 N N . LYS A 1 73 ? 14.368 1.932 -6.503 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 6 -ATOM 9180 C CA . LYS A 1 73 ? 13.723 2.225 -7.774 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 6 -ATOM 9181 C C . LYS A 1 73 ? 12.825 3.449 -7.671 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 6 -ATOM 9182 O O . LYS A 1 73 ? 12.157 3.838 -8.639 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 6 -ATOM 9183 C CB . LYS A 1 73 ? 12.988 0.986 -8.281 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 6 -ATOM 9184 C CG . LYS A 1 73 ? 13.950 -0.164 -8.539 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 6 -ATOM 9185 C CD . LYS A 1 73 ? 13.258 -1.450 -8.919 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 6 -ATOM 9186 C CE . LYS A 1 73 ? 14.287 -2.553 -9.100 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 6 -ATOM 9187 N NZ . LYS A 1 73 ? 13.670 -3.866 -9.330 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 6 -ATOM 9188 H H . LYS A 1 73 ? 13.832 1.589 -5.758 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 6 -ATOM 9189 H HA . LYS A 1 73 ? 14.515 2.464 -8.468 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 6 -ATOM 9190 H HB2 . LYS A 1 73 ? 12.268 0.677 -7.537 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 6 -ATOM 9191 H HB3 . LYS A 1 73 ? 12.478 1.219 -9.204 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 6 -ATOM 9192 H HG2 . LYS A 1 73 ? 14.611 0.114 -9.345 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 6 -ATOM 9193 H HG3 . LYS A 1 73 ? 14.534 -0.325 -7.645 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 6 -ATOM 9194 H HD2 . LYS A 1 73 ? 12.568 -1.728 -8.135 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 6 -ATOM 9195 H HD3 . LYS A 1 73 ? 12.724 -1.309 -9.847 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 6 -ATOM 9196 H HE2 . LYS A 1 73 ? 14.902 -2.309 -9.954 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 6 -ATOM 9197 H HE3 . LYS A 1 73 ? 14.911 -2.600 -8.221 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 6 -ATOM 9198 H HZ1 . LYS A 1 73 ? 13.184 -3.911 -10.248 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 6 -ATOM 9199 H HZ2 . LYS A 1 73 ? 12.994 -4.101 -8.578 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 6 -ATOM 9200 H HZ3 . LYS A 1 73 ? 14.396 -4.609 -9.316 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 6 -ATOM 9201 N N . VAL A 1 74 ? 12.834 4.054 -6.473 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 6 -ATOM 9202 C CA . VAL A 1 74 ? 12.103 5.292 -6.150 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 6 -ATOM 9203 C C . VAL A 1 74 ? 10.574 5.067 -6.326 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 6 -ATOM 9204 O O . VAL A 1 74 ? 9.810 5.975 -6.650 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 6 -ATOM 9205 C CB . VAL A 1 74 ? 12.603 6.501 -7.034 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 6 -ATOM 9206 C CG1 . VAL A 1 74 ? 12.114 7.833 -6.485 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 6 -ATOM 9207 C CG2 . VAL A 1 74 ? 14.127 6.517 -7.161 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 6 -ATOM 9208 H H . VAL A 1 74 ? 13.362 3.646 -5.754 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 6 -ATOM 9209 H HA . VAL A 1 74 ? 12.291 5.509 -5.108 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 6 -ATOM 9210 H HB . VAL A 1 74 ? 12.180 6.382 -8.021 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 6 -ATOM 9211 H HG11 . VAL A 1 74 ? 12.501 8.629 -7.103 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 6 -ATOM 9212 H HG12 . VAL A 1 74 ? 12.467 7.959 -5.472 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 6 -ATOM 9213 H HG13 . VAL A 1 74 ? 11.035 7.856 -6.502 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 6 -ATOM 9214 H HG21 . VAL A 1 74 ? 14.577 6.595 -6.184 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 6 -ATOM 9215 H HG22 . VAL A 1 74 ? 14.429 7.365 -7.761 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 6 -ATOM 9216 H HG23 . VAL A 1 74 ? 14.456 5.607 -7.640 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 6 -ATOM 9217 N N . VAL A 1 75 ? 10.126 3.876 -6.032 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 6 -ATOM 9218 C CA . VAL A 1 75 ? 8.743 3.549 -6.241 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 6 -ATOM 9219 C C . VAL A 1 75 ? 8.146 2.853 -5.030 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 6 -ATOM 9220 O O . VAL A 1 75 ? 8.787 2.039 -4.373 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 6 -ATOM 9221 C CB . VAL A 1 75 ? 8.528 2.704 -7.545 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 6 -ATOM 9222 C CG1 . VAL A 1 75 ? 9.250 1.379 -7.491 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 6 -ATOM 9223 C CG2 . VAL A 1 75 ? 7.050 2.500 -7.872 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 6 -ATOM 9224 H H . VAL A 1 75 ? 10.723 3.215 -5.619 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 6 -ATOM 9225 H HA . VAL A 1 75 ? 8.222 4.488 -6.365 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 6 -ATOM 9226 H HB . VAL A 1 75 ? 8.972 3.267 -8.351 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 6 -ATOM 9227 H HG11 . VAL A 1 75 ? 9.048 0.843 -8.406 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 6 -ATOM 9228 H HG12 . VAL A 1 75 ? 8.893 0.813 -6.644 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 6 -ATOM 9229 H HG13 . VAL A 1 75 ? 10.311 1.556 -7.399 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 6 -ATOM 9230 H HG21 . VAL A 1 75 ? 6.960 1.916 -8.776 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 6 -ATOM 9231 H HG22 . VAL A 1 75 ? 6.574 3.459 -8.015 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 6 -ATOM 9232 H HG23 . VAL A 1 75 ? 6.573 1.977 -7.055 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 6 -ATOM 9233 N N . VAL A 1 76 ? 6.959 3.235 -4.730 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 6 -ATOM 9234 C CA . VAL A 1 76 ? 6.170 2.674 -3.700 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 6 -ATOM 9235 C C . VAL A 1 76 ? 5.232 1.683 -4.372 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 6 -ATOM 9236 O O . VAL A 1 76 ? 4.400 2.061 -5.214 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 6 -ATOM 9237 C CB . VAL A 1 76 ? 5.361 3.787 -2.989 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 6 -ATOM 9238 C CG1 . VAL A 1 76 ? 4.503 3.220 -1.895 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 6 -ATOM 9239 C CG2 . VAL A 1 76 ? 6.288 4.862 -2.437 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 6 -ATOM 9240 H H . VAL A 1 76 ? 6.545 3.954 -5.254 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 6 -ATOM 9241 H HA . VAL A 1 76 ? 6.805 2.167 -2.990 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 6 -ATOM 9242 H HB . VAL A 1 76 ? 4.716 4.249 -3.721 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 6 -ATOM 9243 H HG11 . VAL A 1 76 ? 3.954 4.017 -1.413 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 6 -ATOM 9244 H HG12 . VAL A 1 76 ? 5.128 2.721 -1.169 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 6 -ATOM 9245 H HG13 . VAL A 1 76 ? 3.806 2.508 -2.314 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 6 -ATOM 9246 H HG21 . VAL A 1 76 ? 6.991 4.414 -1.751 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 6 -ATOM 9247 H HG22 . VAL A 1 76 ? 5.705 5.608 -1.916 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 6 -ATOM 9248 H HG23 . VAL A 1 76 ? 6.826 5.324 -3.251 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 6 -ATOM 9249 N N . PHE A 1 77 ? 5.388 0.442 -4.045 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 6 -ATOM 9250 C CA . PHE A 1 77 ? 4.666 -0.606 -4.699 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 6 -ATOM 9251 C C . PHE A 1 77 ? 3.655 -1.212 -3.732 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 6 -ATOM 9252 O O . PHE A 1 77 ? 4.033 -1.795 -2.711 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 6 -ATOM 9253 C CB . PHE A 1 77 ? 5.669 -1.665 -5.178 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 6 -ATOM 9254 C CG . PHE A 1 77 ? 5.145 -2.616 -6.210 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 6 -ATOM 9255 C CD1 . PHE A 1 77 ? 4.432 -3.745 -5.855 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 6 -ATOM 9256 C CD2 . PHE A 1 77 ? 5.389 -2.381 -7.548 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 6 -ATOM 9257 C CE1 . PHE A 1 77 ? 3.972 -4.615 -6.819 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 6 -ATOM 9258 C CE2 . PHE A 1 77 ? 4.931 -3.246 -8.512 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 6 -ATOM 9259 C CZ . PHE A 1 77 ? 4.220 -4.365 -8.148 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 6 -ATOM 9260 H H . PHE A 1 77 ? 6.003 0.216 -3.312 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 6 -ATOM 9261 H HA . PHE A 1 77 ? 4.153 -0.199 -5.558 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 6 -ATOM 9262 H HB2 . PHE A 1 77 ? 6.528 -1.168 -5.600 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 6 -ATOM 9263 H HB3 . PHE A 1 77 ? 5.990 -2.243 -4.324 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 6 -ATOM 9264 H HD1 . PHE A 1 77 ? 4.233 -3.940 -4.811 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 6 -ATOM 9265 H HD2 . PHE A 1 77 ? 5.947 -1.502 -7.836 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 6 -ATOM 9266 H HE1 . PHE A 1 77 ? 3.417 -5.496 -6.533 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 6 -ATOM 9267 H HE2 . PHE A 1 77 ? 5.132 -3.041 -9.553 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 6 -ATOM 9268 H HZ . PHE A 1 77 ? 3.858 -5.047 -8.903 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 6 -ATOM 9269 N N . VAL A 1 78 ? 2.388 -1.049 -4.038 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 6 -ATOM 9270 C CA . VAL A 1 78 ? 1.311 -1.577 -3.217 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 6 -ATOM 9271 C C . VAL A 1 78 ? 1.240 -3.082 -3.385 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 6 -ATOM 9272 O O . VAL A 1 78 ? 1.111 -3.570 -4.499 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 6 -ATOM 9273 C CB . VAL A 1 78 ? -0.052 -0.937 -3.588 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 6 -ATOM 9274 C CG1 . VAL A 1 78 ? -1.186 -1.499 -2.733 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 6 -ATOM 9275 C CG2 . VAL A 1 78 ? 0.022 0.580 -3.462 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 6 -ATOM 9276 H H . VAL A 1 78 ? 2.174 -0.564 -4.868 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 6 -ATOM 9277 H HA . VAL A 1 78 ? 1.539 -1.356 -2.185 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 6 -ATOM 9278 H HB . VAL A 1 78 ? -0.264 -1.181 -4.617 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 6 -ATOM 9279 H HG11 . VAL A 1 78 ? -2.114 -1.014 -2.997 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 6 -ATOM 9280 H HG12 . VAL A 1 78 ? -0.969 -1.335 -1.688 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 6 -ATOM 9281 H HG13 . VAL A 1 78 ? -1.273 -2.561 -2.911 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 6 -ATOM 9282 H HG21 . VAL A 1 78 ? 0.750 0.959 -4.163 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 6 -ATOM 9283 H HG22 . VAL A 1 78 ? 0.330 0.846 -2.463 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 6 -ATOM 9284 H HG23 . VAL A 1 78 ? -0.944 1.012 -3.678 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 6 -ATOM 9285 N N . ILE A 1 79 ? 1.329 -3.801 -2.289 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 6 -ATOM 9286 C CA . ILE A 1 79 ? 1.359 -5.251 -2.343 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 6 -ATOM 9287 C C . ILE A 1 79 ? -0.022 -5.823 -2.060 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 6 -ATOM 9288 O O . ILE A 1 79 ? -0.473 -6.762 -2.726 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 6 -ATOM 9289 C CB . ILE A 1 79 ? 2.340 -5.826 -1.289 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 6 -ATOM 9290 C CG1 . ILE A 1 79 ? 3.724 -5.182 -1.423 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 6 -ATOM 9291 C CG2 . ILE A 1 79 ? 2.453 -7.344 -1.440 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 6 -ATOM 9292 C CD1 . ILE A 1 79 ? 4.688 -5.602 -0.338 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 6 -ATOM 9293 H H . ILE A 1 79 ? 1.360 -3.355 -1.415 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 6 -ATOM 9294 H HA . ILE A 1 79 ? 1.691 -5.557 -3.324 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 6 -ATOM 9295 H HB . ILE A 1 79 ? 1.947 -5.612 -0.306 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 6 -ATOM 9296 H HG12 . ILE A 1 79 ? 4.156 -5.463 -2.373 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 6 -ATOM 9297 H HG13 . ILE A 1 79 ? 3.619 -4.108 -1.381 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 6 -ATOM 9298 H HG21 . ILE A 1 79 ? 2.804 -7.581 -2.433 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 6 -ATOM 9299 H HG22 . ILE A 1 79 ? 1.486 -7.798 -1.278 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 6 -ATOM 9300 H HG23 . ILE A 1 79 ? 3.157 -7.720 -0.712 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 6 -ATOM 9301 H HD11 . ILE A 1 79 ? 4.314 -5.274 0.620 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 6 -ATOM 9302 H HD12 . ILE A 1 79 ? 5.661 -5.171 -0.523 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 6 -ATOM 9303 H HD13 . ILE A 1 79 ? 4.764 -6.680 -0.337 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 6 -ATOM 9304 N N . SER A 1 80 ? -0.693 -5.263 -1.081 1.00 0.00 ? ? ? ? ? ? 77 SER A N 6 -ATOM 9305 C CA . SER A 1 80 ? -1.983 -5.761 -0.668 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 6 -ATOM 9306 C C . SER A 1 80 ? -2.860 -4.611 -0.193 1.00 0.00 ? ? ? ? ? ? 77 SER A C 6 -ATOM 9307 O O . SER A 1 80 ? -2.360 -3.626 0.372 1.00 0.00 ? ? ? ? ? ? 77 SER A O 6 -ATOM 9308 C CB . SER A 1 80 ? -1.794 -6.793 0.451 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 6 -ATOM 9309 O OG . SER A 1 80 ? -0.952 -7.850 0.024 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 6 -ATOM 9310 H H . SER A 1 80 ? -0.332 -4.487 -0.599 1.00 0.00 ? ? ? ? ? ? 77 SER A H 6 -ATOM 9311 H HA . SER A 1 80 ? -2.449 -6.244 -1.512 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 6 -ATOM 9312 H HB2 . SER A 1 80 ? -1.332 -6.312 1.301 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 6 -ATOM 9313 H HB3 . SER A 1 80 ? -2.752 -7.200 0.738 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 6 -ATOM 9314 H HG . SER A 1 80 ? -0.883 -7.783 -0.935 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 6 -ATOM 9315 N N . VAL A 1 81 ? -4.140 -4.719 -0.442 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 6 -ATOM 9316 C CA . VAL A 1 81 ? -5.089 -3.708 -0.057 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 6 -ATOM 9317 C C . VAL A 1 81 ? -6.439 -4.371 0.240 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 6 -ATOM 9318 O O . VAL A 1 81 ? -6.806 -5.350 -0.413 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 6 -ATOM 9319 C CB . VAL A 1 81 ? -5.225 -2.604 -1.166 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 6 -ATOM 9320 C CG1 . VAL A 1 81 ? -5.696 -3.175 -2.497 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 6 -ATOM 9321 C CG2 . VAL A 1 81 ? -6.132 -1.476 -0.718 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 6 -ATOM 9322 H H . VAL A 1 81 ? -4.495 -5.516 -0.891 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 6 -ATOM 9323 H HA . VAL A 1 81 ? -4.726 -3.251 0.853 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 6 -ATOM 9324 H HB . VAL A 1 81 ? -4.238 -2.196 -1.330 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 6 -ATOM 9325 H HG11 . VAL A 1 81 ? -6.663 -3.637 -2.365 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 6 -ATOM 9326 H HG12 . VAL A 1 81 ? -4.989 -3.917 -2.839 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 6 -ATOM 9327 H HG13 . VAL A 1 81 ? -5.771 -2.382 -3.226 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 6 -ATOM 9328 H HG21 . VAL A 1 81 ? -5.728 -1.024 0.177 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 6 -ATOM 9329 H HG22 . VAL A 1 81 ? -7.117 -1.866 -0.510 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 6 -ATOM 9330 H HG23 . VAL A 1 81 ? -6.196 -0.732 -1.499 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 6 -ATOM 9331 N N . GLY A 1 82 ? -7.120 -3.890 1.251 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 6 -ATOM 9332 C CA . GLY A 1 82 ? -8.417 -4.410 1.610 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 6 -ATOM 9333 C C . GLY A 1 82 ? -8.640 -4.218 3.078 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 6 -ATOM 9334 O O . GLY A 1 82 ? -8.077 -3.296 3.664 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 6 -ATOM 9335 H H . GLY A 1 82 ? -6.737 -3.179 1.812 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 6 -ATOM 9336 H HA2 . GLY A 1 82 ? -9.179 -3.885 1.055 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 6 -ATOM 9337 H HA3 . GLY A 1 82 ? -8.458 -5.464 1.382 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 6 -ATOM 9338 N N . LYS A 1 83 ? -9.439 -5.044 3.691 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 6 -ATOM 9339 C CA . LYS A 1 83 ? -9.600 -4.948 5.118 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 6 -ATOM 9340 C C . LYS A 1 83 ? -8.596 -5.852 5.749 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 6 -ATOM 9341 O O . LYS A 1 83 ? -8.229 -6.883 5.168 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 6 -ATOM 9342 C CB . LYS A 1 83 ? -10.997 -5.348 5.605 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 6 -ATOM 9343 C CG . LYS A 1 83 ? -12.151 -4.588 4.977 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 6 -ATOM 9344 C CD . LYS A 1 83 ? -13.469 -4.844 5.720 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 6 -ATOM 9345 C CE . LYS A 1 83 ? -13.785 -6.332 5.859 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 6 -ATOM 9346 N NZ . LYS A 1 83 ? -13.942 -7.012 4.561 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 6 -ATOM 9347 H H . LYS A 1 83 ? -9.897 -5.752 3.191 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 6 -ATOM 9348 H HA . LYS A 1 83 ? -9.386 -3.933 5.415 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 6 -ATOM 9349 H HB2 . LYS A 1 83 ? -11.141 -6.397 5.403 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 6 -ATOM 9350 H HB3 . LYS A 1 83 ? -11.036 -5.199 6.675 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 6 -ATOM 9351 H HG2 . LYS A 1 83 ? -11.931 -3.531 5.007 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 6 -ATOM 9352 H HG3 . LYS A 1 83 ? -12.259 -4.905 3.951 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 6 -ATOM 9353 H HD2 . LYS A 1 83 ? -13.400 -4.417 6.709 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 6 -ATOM 9354 H HD3 . LYS A 1 83 ? -14.271 -4.362 5.178 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 6 -ATOM 9355 H HE2 . LYS A 1 83 ? -12.988 -6.814 6.406 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 6 -ATOM 9356 H HE3 . LYS A 1 83 ? -14.701 -6.435 6.421 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 6 -ATOM 9357 H HZ1 . LYS A 1 83 ? -13.145 -6.803 3.928 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 6 -ATOM 9358 H HZ2 . LYS A 1 83 ? -14.829 -6.752 4.086 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 6 -ATOM 9359 H HZ3 . LYS A 1 83 ? -13.933 -8.039 4.744 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 6 -ATOM 9360 N N . ALA A 1 84 ? -8.134 -5.504 6.911 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 6 -ATOM 9361 C CA . ALA A 1 84 ? -7.208 -6.353 7.589 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 6 -ATOM 9362 C C . ALA A 1 84 ? -7.969 -7.392 8.378 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 6 -ATOM 9363 O O . ALA A 1 84 ? -8.087 -7.309 9.604 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 6 -ATOM 9364 C CB . ALA A 1 84 ? -6.242 -5.574 8.462 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 6 -ATOM 9365 H H . ALA A 1 84 ? -8.453 -4.678 7.330 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 6 -ATOM 9366 H HA . ALA A 1 84 ? -6.648 -6.872 6.824 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 6 -ATOM 9367 H HB1 . ALA A 1 84 ? -6.799 -5.094 9.252 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 6 -ATOM 9368 H HB2 . ALA A 1 84 ? -5.734 -4.831 7.866 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 6 -ATOM 9369 H HB3 . ALA A 1 84 ? -5.517 -6.250 8.893 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 6 -ATOM 9370 N N . GLU A 1 85 ? -8.547 -8.305 7.653 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 6 -ATOM 9371 C CA . GLU A 1 85 ? -9.299 -9.391 8.198 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 6 -ATOM 9372 C C . GLU A 1 85 ? -8.448 -10.641 8.157 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 6 -ATOM 9373 O O . GLU A 1 85 ? -7.842 -10.953 7.118 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 6 -ATOM 9374 C CB . GLU A 1 85 ? -10.638 -9.559 7.431 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 6 -ATOM 9375 C CG . GLU A 1 85 ? -10.487 -9.620 5.912 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 6 -ATOM 9376 C CD . GLU A 1 85 ? -11.802 -9.683 5.153 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 6 -ATOM 9377 O OE1 . GLU A 1 85 ? -12.875 -9.408 5.719 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 6 -ATOM 9378 O OE2 . GLU A 1 85 ? -11.778 -9.943 3.938 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 6 -ATOM 9379 H H . GLU A 1 85 ? -8.462 -8.244 6.676 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 6 -ATOM 9380 H HA . GLU A 1 85 ? -9.509 -9.147 9.227 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 6 -ATOM 9381 H HB2 . GLU A 1 85 ? -11.110 -10.475 7.756 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 6 -ATOM 9382 H HB3 . GLU A 1 85 ? -11.287 -8.731 7.674 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 6 -ATOM 9383 H HG2 . GLU A 1 85 ? -9.957 -8.737 5.584 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 6 -ATOM 9384 H HG3 . GLU A 1 85 ? -9.901 -10.492 5.662 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 6 -ATOM 9385 N N . ALA A 1 86 ? -8.296 -11.276 9.322 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 6 -ATOM 9386 C CA . ALA A 1 86 ? -7.527 -12.529 9.485 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 6 -ATOM 9387 C C . ALA A 1 86 ? -6.051 -12.367 9.083 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 6 -ATOM 9388 O O . ALA A 1 86 ? -5.345 -13.349 8.874 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 6 -ATOM 9389 C CB . ALA A 1 86 ? -8.183 -13.674 8.712 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 6 -ATOM 9390 H H . ALA A 1 86 ? -8.729 -10.890 10.115 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 6 -ATOM 9391 H HA . ALA A 1 86 ? -7.551 -12.775 10.537 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 6 -ATOM 9392 H HB1 . ALA A 1 86 ? -7.662 -14.596 8.919 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 6 -ATOM 9393 H HB2 . ALA A 1 86 ? -8.139 -13.465 7.654 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 6 -ATOM 9394 H HB3 . ALA A 1 86 ? -9.215 -13.765 9.016 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 6 -ATOM 9395 N N . SER A 1 87 ? -5.595 -11.111 9.021 1.00 0.00 ? ? ? ? ? ? 84 SER A N 6 -ATOM 9396 C CA . SER A 1 87 ? -4.228 -10.752 8.653 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 6 -ATOM 9397 C C . SER A 1 87 ? -3.876 -11.222 7.224 1.00 0.00 ? ? ? ? ? ? 84 SER A C 6 -ATOM 9398 O O . SER A 1 87 ? -2.701 -11.486 6.912 1.00 0.00 ? ? ? ? ? ? 84 SER A O 6 -ATOM 9399 C CB . SER A 1 87 ? -3.253 -11.304 9.698 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 6 -ATOM 9400 O OG . SER A 1 87 ? -3.655 -10.884 11.005 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 6 -ATOM 9401 H H . SER A 1 87 ? -6.219 -10.393 9.257 1.00 0.00 ? ? ? ? ? ? 84 SER A H 6 -ATOM 9402 H HA . SER A 1 87 ? -4.174 -9.673 8.666 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 6 -ATOM 9403 H HB2 . SER A 1 87 ? -3.251 -12.383 9.653 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 6 -ATOM 9404 H HB3 . SER A 1 87 ? -2.257 -10.931 9.502 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 6 -ATOM 9405 H HG . SER A 1 87 ? -4.252 -10.131 10.897 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 6 -ATOM 9406 N N . GLU A 1 88 ? -4.892 -11.224 6.345 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 6 -ATOM 9407 C CA . GLU A 1 88 ? -4.748 -11.642 4.944 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 6 -ATOM 9408 C C . GLU A 1 88 ? -3.683 -10.798 4.243 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 6 -ATOM 9409 O O . GLU A 1 88 ? -2.704 -11.324 3.704 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 6 -ATOM 9410 C CB . GLU A 1 88 ? -6.088 -11.413 4.231 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 6 -ATOM 9411 C CG . GLU A 1 88 ? -6.153 -11.911 2.793 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 6 -ATOM 9412 C CD . GLU A 1 88 ? -6.194 -13.410 2.707 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 6 -ATOM 9413 O OE1 . GLU A 1 88 ? -5.132 -14.058 2.671 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 6 -ATOM 9414 O OE2 . GLU A 1 88 ? -7.302 -13.980 2.691 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 6 -ATOM 9415 H H . GLU A 1 88 ? -5.792 -10.982 6.658 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 6 -ATOM 9416 H HA . GLU A 1 88 ? -4.497 -12.689 4.887 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 6 -ATOM 9417 H HB2 . GLU A 1 88 ? -6.861 -11.915 4.794 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 6 -ATOM 9418 H HB3 . GLU A 1 88 ? -6.297 -10.353 4.234 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 6 -ATOM 9419 H HG2 . GLU A 1 88 ? -7.042 -11.516 2.325 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 6 -ATOM 9420 H HG3 . GLU A 1 88 ? -5.281 -11.556 2.265 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 6 -ATOM 9421 N N . VAL A 1 89 ? -3.836 -9.487 4.360 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 6 -ATOM 9422 C CA . VAL A 1 89 ? -2.968 -8.516 3.693 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 6 -ATOM 9423 C C . VAL A 1 89 ? -1.526 -8.530 4.216 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 6 -ATOM 9424 O O . VAL A 1 89 ? -0.638 -8.011 3.576 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 6 -ATOM 9425 C CB . VAL A 1 89 ? -3.550 -7.072 3.760 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 6 -ATOM 9426 C CG1 . VAL A 1 89 ? -4.879 -6.993 3.022 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 6 -ATOM 9427 C CG2 . VAL A 1 89 ? -3.719 -6.609 5.206 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 6 -ATOM 9428 H H . VAL A 1 89 ? -4.586 -9.159 4.894 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 6 -ATOM 9429 H HA . VAL A 1 89 ? -2.936 -8.807 2.653 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 6 -ATOM 9430 H HB . VAL A 1 89 ? -2.853 -6.412 3.265 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 6 -ATOM 9431 H HG11 . VAL A 1 89 ? -4.736 -7.263 1.986 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 6 -ATOM 9432 H HG12 . VAL A 1 89 ? -5.266 -5.987 3.078 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 6 -ATOM 9433 H HG13 . VAL A 1 89 ? -5.582 -7.674 3.478 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 6 -ATOM 9434 H HG21 . VAL A 1 89 ? -2.759 -6.622 5.701 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 6 -ATOM 9435 H HG22 . VAL A 1 89 ? -4.396 -7.274 5.721 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 6 -ATOM 9436 H HG23 . VAL A 1 89 ? -4.118 -5.605 5.222 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 6 -ATOM 9437 N N . TYR A 1 90 ? -1.305 -9.107 5.377 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 6 -ATOM 9438 C CA . TYR A 1 90 ? 0.043 -9.173 5.912 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 6 -ATOM 9439 C C . TYR A 1 90 ? 0.712 -10.467 5.490 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 6 -ATOM 9440 O O . TYR A 1 90 ? 1.870 -10.476 5.068 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 6 -ATOM 9441 C CB . TYR A 1 90 ? 0.055 -9.034 7.439 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 6 -ATOM 9442 C CG . TYR A 1 90 ? -0.485 -7.711 7.942 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 6 -ATOM 9443 C CD1 . TYR A 1 90 ? 0.312 -6.575 7.945 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 6 -ATOM 9444 C CD2 . TYR A 1 90 ? -1.787 -7.599 8.413 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 6 -ATOM 9445 C CE1 . TYR A 1 90 ? -0.170 -5.365 8.400 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 6 -ATOM 9446 C CE2 . TYR A 1 90 ? -2.277 -6.392 8.872 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 6 -ATOM 9447 C CZ . TYR A 1 90 ? -1.465 -5.278 8.863 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 6 -ATOM 9448 O OH . TYR A 1 90 ? -1.952 -4.065 9.311 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 6 -ATOM 9449 H H . TYR A 1 90 ? -2.052 -9.513 5.861 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 6 -ATOM 9450 H HA . TYR A 1 90 ? 0.597 -8.352 5.480 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 6 -ATOM 9451 H HB2 . TYR A 1 90 ? -0.533 -9.828 7.871 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 6 -ATOM 9452 H HB3 . TYR A 1 90 ? 1.073 -9.128 7.786 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 6 -ATOM 9453 H HD1 . TYR A 1 90 ? 1.327 -6.644 7.581 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 6 -ATOM 9454 H HD2 . TYR A 1 90 ? -2.420 -8.473 8.420 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 6 -ATOM 9455 H HE1 . TYR A 1 90 ? 0.466 -4.493 8.394 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 6 -ATOM 9456 H HE2 . TYR A 1 90 ? -3.292 -6.324 9.236 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 6 -ATOM 9457 H HH . TYR A 1 90 ? -1.673 -3.396 8.678 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 6 -ATOM 9458 N N . SER A 1 91 ? -0.047 -11.546 5.551 1.00 0.00 ? ? ? ? ? ? 88 SER A N 6 -ATOM 9459 C CA . SER A 1 91 ? 0.466 -12.863 5.267 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 6 -ATOM 9460 C C . SER A 1 91 ? 0.835 -13.034 3.785 1.00 0.00 ? ? ? ? ? ? 88 SER A C 6 -ATOM 9461 O O . SER A 1 91 ? 1.920 -13.538 3.466 1.00 0.00 ? ? ? ? ? ? 88 SER A O 6 -ATOM 9462 C CB . SER A 1 91 ? -0.547 -13.918 5.718 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 6 -ATOM 9463 O OG . SER A 1 91 ? -0.886 -13.737 7.099 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 6 -ATOM 9464 H H . SER A 1 91 ? -0.992 -11.457 5.793 1.00 0.00 ? ? ? ? ? ? 88 SER A H 6 -ATOM 9465 H HA . SER A 1 91 ? 1.368 -12.995 5.845 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 6 -ATOM 9466 H HB2 . SER A 1 91 ? -1.444 -13.809 5.129 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 6 -ATOM 9467 H HB3 . SER A 1 91 ? -0.130 -14.905 5.585 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 6 -ATOM 9468 H HG . SER A 1 91 ? -1.655 -13.150 7.119 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 6 -ATOM 9469 N N . GLU A 1 92 ? -0.032 -12.588 2.878 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 6 -ATOM 9470 C CA . GLU A 1 92 ? 0.268 -12.750 1.464 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 6 -ATOM 9471 C C . GLU A 1 92 ? 1.371 -11.807 1.015 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 6 -ATOM 9472 O O . GLU A 1 92 ? 2.136 -12.125 0.098 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 6 -ATOM 9473 C CB . GLU A 1 92 ? -0.959 -12.621 0.569 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 6 -ATOM 9474 C CG . GLU A 1 92 ? -1.651 -11.274 0.569 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 6 -ATOM 9475 C CD . GLU A 1 92 ? -2.683 -11.205 -0.522 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 6 -ATOM 9476 O OE1 . GLU A 1 92 ? -2.343 -10.791 -1.649 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 6 -ATOM 9477 O OE2 . GLU A 1 92 ? -3.837 -11.611 -0.303 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 6 -ATOM 9478 H H . GLU A 1 92 ? -0.871 -12.152 3.152 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 6 -ATOM 9479 H HA . GLU A 1 92 ? 0.662 -13.751 1.366 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 6 -ATOM 9480 H HB2 . GLU A 1 92 ? -0.657 -12.822 -0.446 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 6 -ATOM 9481 H HB3 . GLU A 1 92 ? -1.672 -13.368 0.881 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 6 -ATOM 9482 H HG2 . GLU A 1 92 ? -2.135 -11.125 1.524 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 6 -ATOM 9483 H HG3 . GLU A 1 92 ? -0.917 -10.498 0.407 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 6 -ATOM 9484 N N . ALA A 1 93 ? 1.455 -10.664 1.671 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 6 -ATOM 9485 C CA . ALA A 1 93 ? 2.467 -9.668 1.374 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 6 -ATOM 9486 C C . ALA A 1 93 ? 3.858 -10.233 1.595 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 6 -ATOM 9487 O O . ALA A 1 93 ? 4.702 -10.197 0.695 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 6 -ATOM 9488 C CB . ALA A 1 93 ? 2.259 -8.421 2.220 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 6 -ATOM 9489 H H . ALA A 1 93 ? 0.787 -10.490 2.364 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 6 -ATOM 9490 H HA . ALA A 1 93 ? 2.361 -9.397 0.334 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 6 -ATOM 9491 H HB1 . ALA A 1 93 ? 2.985 -7.671 1.944 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 6 -ATOM 9492 H HB2 . ALA A 1 93 ? 2.383 -8.672 3.263 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 6 -ATOM 9493 H HB3 . ALA A 1 93 ? 1.263 -8.034 2.058 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 6 -ATOM 9494 N N . VAL A 1 94 ? 4.083 -10.797 2.774 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 6 -ATOM 9495 C CA . VAL A 1 94 ? 5.380 -11.356 3.105 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 6 -ATOM 9496 C C . VAL A 1 94 ? 5.727 -12.572 2.221 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 6 -ATOM 9497 O O . VAL A 1 94 ? 6.850 -12.681 1.720 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 6 -ATOM 9498 C CB . VAL A 1 94 ? 5.527 -11.669 4.634 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 6 -ATOM 9499 C CG1 . VAL A 1 94 ? 4.470 -12.630 5.144 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 6 -ATOM 9500 C CG2 . VAL A 1 94 ? 6.913 -12.178 4.955 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 6 -ATOM 9501 H H . VAL A 1 94 ? 3.358 -10.816 3.436 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 6 -ATOM 9502 H HA . VAL A 1 94 ? 6.098 -10.589 2.847 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 6 -ATOM 9503 H HB . VAL A 1 94 ? 5.388 -10.738 5.167 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 6 -ATOM 9504 H HG11 . VAL A 1 94 ? 4.621 -12.810 6.198 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 6 -ATOM 9505 H HG12 . VAL A 1 94 ? 4.545 -13.561 4.603 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 6 -ATOM 9506 H HG13 . VAL A 1 94 ? 3.491 -12.203 4.987 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 6 -ATOM 9507 H HG21 . VAL A 1 94 ? 7.122 -13.060 4.369 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 6 -ATOM 9508 H HG22 . VAL A 1 94 ? 6.953 -12.425 6.005 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 6 -ATOM 9509 H HG23 . VAL A 1 94 ? 7.639 -11.410 4.738 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 6 -ATOM 9510 N N . LYS A 1 95 ? 4.740 -13.436 1.960 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 6 -ATOM 9511 C CA . LYS A 1 95 ? 4.968 -14.619 1.117 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 6 -ATOM 9512 C C . LYS A 1 95 ? 5.222 -14.269 -0.344 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 6 -ATOM 9513 O O . LYS A 1 95 ? 5.744 -15.095 -1.101 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 6 -ATOM 9514 C CB . LYS A 1 95 ? 3.839 -15.658 1.210 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 6 -ATOM 9515 C CG . LYS A 1 95 ? 4.008 -16.716 2.298 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 6 -ATOM 9516 C CD . LYS A 1 95 ? 3.869 -16.160 3.698 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 6 -ATOM 9517 C CE . LYS A 1 95 ? 4.026 -17.256 4.745 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 6 -ATOM 9518 N NZ . LYS A 1 95 ? 3.094 -18.390 4.523 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 6 -ATOM 9519 H H . LYS A 1 95 ? 3.852 -13.274 2.347 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 6 -ATOM 9520 H HA . LYS A 1 95 ? 5.873 -15.076 1.488 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 6 -ATOM 9521 H HB2 . LYS A 1 95 ? 2.918 -15.130 1.412 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 6 -ATOM 9522 H HB3 . LYS A 1 95 ? 3.747 -16.159 0.257 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 6 -ATOM 9523 H HG2 . LYS A 1 95 ? 3.266 -17.488 2.156 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 6 -ATOM 9524 H HG3 . LYS A 1 95 ? 4.990 -17.153 2.188 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 6 -ATOM 9525 H HD2 . LYS A 1 95 ? 4.646 -15.426 3.849 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 6 -ATOM 9526 H HD3 . LYS A 1 95 ? 2.900 -15.696 3.806 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 6 -ATOM 9527 H HE2 . LYS A 1 95 ? 5.040 -17.625 4.715 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 6 -ATOM 9528 H HE3 . LYS A 1 95 ? 3.832 -16.826 5.716 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 6 -ATOM 9529 H HZ1 . LYS A 1 95 ? 3.316 -18.892 3.641 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 6 -ATOM 9530 H HZ2 . LYS A 1 95 ? 2.105 -18.070 4.469 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 6 -ATOM 9531 H HZ3 . LYS A 1 95 ? 3.152 -19.073 5.304 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 6 -ATOM 9532 N N . ARG A 1 96 ? 4.868 -13.070 -0.748 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 6 -ATOM 9533 C CA . ARG A 1 96 ? 5.078 -12.667 -2.121 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 6 -ATOM 9534 C C . ARG A 1 96 ? 6.535 -12.266 -2.319 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 6 -ATOM 9535 O O . ARG A 1 96 ? 7.084 -12.382 -3.410 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 6 -ATOM 9536 C CB . ARG A 1 96 ? 4.202 -11.479 -2.481 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 6 -ATOM 9537 C CG . ARG A 1 96 ? 4.098 -11.234 -3.978 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 6 -ATOM 9538 C CD . ARG A 1 96 ? 3.830 -9.788 -4.271 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 6 -ATOM 9539 N NE . ARG A 1 96 ? 4.992 -8.991 -3.906 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 6 -ATOM 9540 C CZ . ARG A 1 96 ? 5.138 -7.693 -4.081 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 6 -ATOM 9541 N NH1 . ARG A 1 96 ? 4.211 -6.988 -4.714 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 6 -ATOM 9542 N NH2 . ARG A 1 96 ? 6.264 -7.124 -3.688 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 6 -ATOM 9543 H H . ARG A 1 96 ? 4.449 -12.448 -0.113 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 6 -ATOM 9544 H HA . ARG A 1 96 ? 4.843 -13.494 -2.770 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 6 -ATOM 9545 H HB2 . ARG A 1 96 ? 3.211 -11.638 -2.084 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 6 -ATOM 9546 H HB3 . ARG A 1 96 ? 4.619 -10.593 -2.024 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 6 -ATOM 9547 H HG2 . ARG A 1 96 ? 5.029 -11.518 -4.448 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 6 -ATOM 9548 H HG3 . ARG A 1 96 ? 3.294 -11.830 -4.381 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 6 -ATOM 9549 H HD2 . ARG A 1 96 ? 3.625 -9.670 -5.325 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 6 -ATOM 9550 H HD3 . ARG A 1 96 ? 2.980 -9.460 -3.691 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 6 -ATOM 9551 H HE . ARG A 1 96 ? 5.732 -9.506 -3.511 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 6 -ATOM 9552 H HH11 . ARG A 1 96 ? 3.378 -7.425 -5.090 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 6 -ATOM 9553 H HH12 . ARG A 1 96 ? 4.281 -6.003 -4.871 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 6 -ATOM 9554 H HH21 . ARG A 1 96 ? 6.989 -7.683 -3.277 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 6 -ATOM 9555 H HH22 . ARG A 1 96 ? 6.495 -6.146 -3.769 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 6 -ATOM 9556 N N . ILE A 1 97 ? 7.145 -11.805 -1.260 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 6 -ATOM 9557 C CA . ILE A 1 97 ? 8.494 -11.295 -1.325 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 6 -ATOM 9558 C C . ILE A 1 97 ? 9.492 -12.391 -0.994 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 6 -ATOM 9559 O O . ILE A 1 97 ? 10.299 -12.788 -1.843 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 6 -ATOM 9560 C CB . ILE A 1 97 ? 8.668 -10.102 -0.357 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 6 -ATOM 9561 C CG1 . ILE A 1 97 ? 7.615 -9.034 -0.672 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 6 -ATOM 9562 C CG2 . ILE A 1 97 ? 10.080 -9.516 -0.474 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 6 -ATOM 9563 C CD1 . ILE A 1 97 ? 7.575 -7.896 0.310 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 6 -ATOM 9564 H H . ILE A 1 97 ? 6.687 -11.832 -0.393 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 6 -ATOM 9565 H HA . ILE A 1 97 ? 8.677 -10.951 -2.332 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 6 -ATOM 9566 H HB . ILE A 1 97 ? 8.520 -10.451 0.653 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 6 -ATOM 9567 H HG12 . ILE A 1 97 ? 7.819 -8.615 -1.646 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 6 -ATOM 9568 H HG13 . ILE A 1 97 ? 6.640 -9.500 -0.687 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 6 -ATOM 9569 H HG21 . ILE A 1 97 ? 10.808 -10.276 -0.229 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 6 -ATOM 9570 H HG22 . ILE A 1 97 ? 10.184 -8.683 0.206 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 6 -ATOM 9571 H HG23 . ILE A 1 97 ? 10.242 -9.174 -1.485 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 6 -ATOM 9572 H HD11 . ILE A 1 97 ? 6.807 -7.202 0.008 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 6 -ATOM 9573 H HD12 . ILE A 1 97 ? 8.534 -7.403 0.324 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 6 -ATOM 9574 H HD13 . ILE A 1 97 ? 7.340 -8.290 1.288 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 6 -ATOM 9575 N N . LEU A 1 98 ? 9.418 -12.888 0.210 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 6 -ATOM 9576 C CA . LEU A 1 98 ? 10.311 -13.906 0.666 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 6 -ATOM 9577 C C . LEU A 1 98 ? 9.624 -14.679 1.762 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 6 -ATOM 9578 O O . LEU A 1 98 ? 9.635 -14.220 2.925 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 6 -ATOM 9579 C CB . LEU A 1 98 ? 11.636 -13.286 1.160 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 6 -ATOM 9580 C CG . LEU A 1 98 ? 12.726 -14.260 1.617 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 6 -ATOM 9581 C CD1 . LEU A 1 98 ? 13.121 -15.186 0.488 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 6 -ATOM 9582 C CD2 . LEU A 1 98 ? 13.937 -13.497 2.119 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 6 -ATOM 9583 O OXT . LEU A 1 98 ? 9.036 -15.741 1.467 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 6 -ATOM 9584 H H . LEU A 1 98 ? 8.731 -12.588 0.848 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 6 -ATOM 9585 H HA . LEU A 1 98 ? 10.513 -14.567 -0.164 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 6 -ATOM 9586 H HB2 . LEU A 1 98 ? 12.042 -12.689 0.358 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 6 -ATOM 9587 H HB3 . LEU A 1 98 ? 11.416 -12.626 1.985 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 6 -ATOM 9588 H HG . LEU A 1 98 ? 12.348 -14.865 2.428 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 6 -ATOM 9589 H HD11 . LEU A 1 98 ? 13.931 -15.821 0.813 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 6 -ATOM 9590 H HD12 . LEU A 1 98 ? 13.443 -14.598 -0.358 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 6 -ATOM 9591 H HD13 . LEU A 1 98 ? 12.277 -15.797 0.206 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 6 -ATOM 9592 H HD21 . LEU A 1 98 ? 14.700 -14.197 2.427 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 6 -ATOM 9593 H HD22 . LEU A 1 98 ? 13.654 -12.878 2.957 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 6 -ATOM 9594 H HD23 . LEU A 1 98 ? 14.324 -12.872 1.327 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 6 -ATOM 9595 N N . MET A 1 4 ? 11.414 15.443 -2.175 1.00 0.00 ? ? ? ? ? ? 1 MET A N 7 -ATOM 9596 C CA . MET A 1 4 ? 11.627 14.279 -3.021 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 7 -ATOM 9597 C C . MET A 1 4 ? 10.356 13.483 -3.052 1.00 0.00 ? ? ? ? ? ? 1 MET A C 7 -ATOM 9598 O O . MET A 1 4 ? 9.664 13.390 -2.044 1.00 0.00 ? ? ? ? ? ? 1 MET A O 7 -ATOM 9599 C CB . MET A 1 4 ? 12.775 13.418 -2.483 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 7 -ATOM 9600 C CG . MET A 1 4 ? 13.137 12.223 -3.356 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 7 -ATOM 9601 S SD . MET A 1 4 ? 13.632 12.710 -5.016 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 7 -ATOM 9602 C CE . MET A 1 4 ? 14.038 11.115 -5.721 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 7 -ATOM 9603 H H . MET A 1 4 ? 11.124 15.131 -1.227 1.00 0.00 ? ? ? ? ? ? 1 MET A H 7 -ATOM 9604 H HA . MET A 1 4 ? 11.857 14.610 -4.024 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 7 -ATOM 9605 H HB2 . MET A 1 4 ? 13.653 14.035 -2.383 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 7 -ATOM 9606 H HB3 . MET A 1 4 ? 12.482 13.046 -1.513 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 7 -ATOM 9607 H HG2 . MET A 1 4 ? 13.954 11.686 -2.898 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 7 -ATOM 9608 H HG3 . MET A 1 4 ? 12.275 11.575 -3.428 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 7 -ATOM 9609 H HE1 . MET A 1 4 ? 14.357 11.245 -6.744 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 7 -ATOM 9610 H HE2 . MET A 1 4 ? 13.168 10.476 -5.694 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 7 -ATOM 9611 H HE3 . MET A 1 4 ? 14.836 10.661 -5.151 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 7 -ATOM 9612 N N . ALA A 1 5 ? 10.038 12.940 -4.187 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 7 -ATOM 9613 C CA . ALA A 1 5 ? 8.855 12.139 -4.339 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 7 -ATOM 9614 C C . ALA A 1 5 ? 9.222 10.834 -4.978 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 7 -ATOM 9615 O O . ALA A 1 5 ? 10.272 10.719 -5.615 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 7 -ATOM 9616 C CB . ALA A 1 5 ? 7.804 12.859 -5.165 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 7 -ATOM 9617 H H . ALA A 1 5 ? 10.631 13.047 -4.963 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 7 -ATOM 9618 H HA . ALA A 1 5 ? 8.452 11.944 -3.356 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 7 -ATOM 9619 H HB1 . ALA A 1 5 ? 8.188 13.040 -6.157 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 7 -ATOM 9620 H HB2 . ALA A 1 5 ? 7.564 13.798 -4.692 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 7 -ATOM 9621 H HB3 . ALA A 1 5 ? 6.914 12.250 -5.227 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 7 -ATOM 9622 N N . TYR A 1 6 ? 8.393 9.863 -4.802 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 7 -ATOM 9623 C CA . TYR A 1 6 ? 8.637 8.549 -5.330 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 7 -ATOM 9624 C C . TYR A 1 6 ? 7.564 8.219 -6.342 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 7 -ATOM 9625 O O . TYR A 1 6 ? 6.597 8.976 -6.504 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 7 -ATOM 9626 C CB . TYR A 1 6 ? 8.614 7.496 -4.205 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 7 -ATOM 9627 C CG . TYR A 1 6 ? 9.718 7.594 -3.147 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 7 -ATOM 9628 C CD1 . TYR A 1 6 ? 9.964 8.774 -2.452 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 7 -ATOM 9629 C CD2 . TYR A 1 6 ? 10.486 6.483 -2.825 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 7 -ATOM 9630 C CE1 . TYR A 1 6 ? 10.934 8.848 -1.482 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 7 -ATOM 9631 C CE2 . TYR A 1 6 ? 11.455 6.549 -1.842 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 7 -ATOM 9632 C CZ . TYR A 1 6 ? 11.673 7.733 -1.176 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 7 -ATOM 9633 O OH . TYR A 1 6 ? 12.621 7.795 -0.185 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 7 -ATOM 9634 H H . TYR A 1 6 ? 7.560 10.027 -4.311 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 7 -ATOM 9635 H HA . TYR A 1 6 ? 9.607 8.540 -5.803 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 7 -ATOM 9636 H HB2 . TYR A 1 6 ? 7.671 7.573 -3.684 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 7 -ATOM 9637 H HB3 . TYR A 1 6 ? 8.674 6.519 -4.659 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 7 -ATOM 9638 H HD1 . TYR A 1 6 ? 9.383 9.653 -2.693 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 7 -ATOM 9639 H HD2 . TYR A 1 6 ? 10.315 5.555 -3.349 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 7 -ATOM 9640 H HE1 . TYR A 1 6 ? 11.098 9.780 -0.962 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 7 -ATOM 9641 H HE2 . TYR A 1 6 ? 12.044 5.676 -1.602 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 7 -ATOM 9642 H HH . TYR A 1 6 ? 13.410 7.300 -0.471 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 7 -ATOM 9643 N N . PHE A 1 7 ? 7.737 7.124 -7.021 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 7 -ATOM 9644 C CA . PHE A 1 7 ? 6.743 6.634 -7.941 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 7 -ATOM 9645 C C . PHE A 1 7 ? 5.766 5.773 -7.165 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 7 -ATOM 9646 O O . PHE A 1 7 ? 6.104 5.284 -6.102 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 7 -ATOM 9647 C CB . PHE A 1 7 ? 7.401 5.810 -9.060 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 7 -ATOM 9648 C CG . PHE A 1 7 ? 8.323 6.597 -9.952 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 7 -ATOM 9649 C CD1 . PHE A 1 7 ? 7.819 7.349 -11.000 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 7 -ATOM 9650 C CD2 . PHE A 1 7 ? 9.694 6.578 -9.746 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 7 -ATOM 9651 C CE1 . PHE A 1 7 ? 8.664 8.066 -11.825 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 7 -ATOM 9652 C CE2 . PHE A 1 7 ? 10.544 7.292 -10.565 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 7 -ATOM 9653 C CZ . PHE A 1 7 ? 10.029 8.039 -11.607 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 7 -ATOM 9654 H H . PHE A 1 7 ? 8.566 6.610 -6.895 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 7 -ATOM 9655 H HA . PHE A 1 7 ? 6.223 7.477 -8.368 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 7 -ATOM 9656 H HB2 . PHE A 1 7 ? 7.994 5.033 -8.602 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 7 -ATOM 9657 H HB3 . PHE A 1 7 ? 6.641 5.348 -9.672 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 7 -ATOM 9658 H HD1 . PHE A 1 7 ? 6.753 7.374 -11.171 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 7 -ATOM 9659 H HD2 . PHE A 1 7 ? 10.099 5.994 -8.932 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 7 -ATOM 9660 H HE1 . PHE A 1 7 ? 8.260 8.647 -12.641 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 7 -ATOM 9661 H HE2 . PHE A 1 7 ? 11.609 7.269 -10.391 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 7 -ATOM 9662 H HZ . PHE A 1 7 ? 10.690 8.600 -12.249 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 7 -ATOM 9663 N N . LEU A 1 8 ? 4.575 5.610 -7.662 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 7 -ATOM 9664 C CA . LEU A 1 8 ? 3.589 4.771 -7.002 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 7 -ATOM 9665 C C . LEU A 1 8 ? 3.185 3.710 -8.005 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 7 -ATOM 9666 O O . LEU A 1 8 ? 2.856 4.037 -9.148 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 7 -ATOM 9667 C CB . LEU A 1 8 ? 2.367 5.635 -6.560 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 7 -ATOM 9668 C CG . LEU A 1 8 ? 1.345 5.044 -5.532 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 7 -ATOM 9669 C CD1 . LEU A 1 8 ? 0.587 3.850 -6.068 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 7 -ATOM 9670 C CD2 . LEU A 1 8 ? 2.023 4.686 -4.221 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 7 -ATOM 9671 H H . LEU A 1 8 ? 4.332 6.051 -8.501 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 7 -ATOM 9672 H HA . LEU A 1 8 ? 4.050 4.307 -6.142 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 7 -ATOM 9673 H HB2 . LEU A 1 8 ? 2.746 6.564 -6.162 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 7 -ATOM 9674 H HB3 . LEU A 1 8 ? 1.821 5.880 -7.459 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 7 -ATOM 9675 H HG . LEU A 1 8 ? 0.609 5.805 -5.317 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 7 -ATOM 9676 H HD11 . LEU A 1 8 ? -0.067 3.470 -5.297 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 7 -ATOM 9677 H HD12 . LEU A 1 8 ? 1.288 3.082 -6.360 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 7 -ATOM 9678 H HD13 . LEU A 1 8 ? 0.000 4.149 -6.923 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 7 -ATOM 9679 H HD21 . LEU A 1 8 ? 1.289 4.278 -3.542 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 7 -ATOM 9680 H HD22 . LEU A 1 8 ? 2.461 5.567 -3.779 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 7 -ATOM 9681 H HD23 . LEU A 1 8 ? 2.792 3.948 -4.399 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 7 -ATOM 9682 N N . ASP A 1 9 ? 3.244 2.473 -7.623 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 7 -ATOM 9683 C CA . ASP A 1 9 ? 2.891 1.391 -8.519 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 7 -ATOM 9684 C C . ASP A 1 9 ? 1.991 0.411 -7.796 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 7 -ATOM 9685 O O . ASP A 1 9 ? 2.019 0.333 -6.567 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 7 -ATOM 9686 C CB . ASP A 1 9 ? 4.158 0.690 -9.018 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 7 -ATOM 9687 C CG . ASP A 1 9 ? 3.899 -0.292 -10.130 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 7 -ATOM 9688 O OD1 . ASP A 1 9 ? 3.368 0.125 -11.184 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 7 -ATOM 9689 O OD2 . ASP A 1 9 ? 4.244 -1.473 -9.993 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 7 -ATOM 9690 H H . ASP A 1 9 ? 3.534 2.244 -6.709 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 7 -ATOM 9691 H HA . ASP A 1 9 ? 2.359 1.808 -9.362 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 7 -ATOM 9692 H HB2 . ASP A 1 9 ? 4.881 1.417 -9.356 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 7 -ATOM 9693 H HB3 . ASP A 1 9 ? 4.556 0.138 -8.182 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 7 -ATOM 9694 N N . PHE A 1 10 ? 1.199 -0.313 -8.533 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 7 -ATOM 9695 C CA . PHE A 1 10 ? 0.265 -1.270 -7.963 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 7 -ATOM 9696 C C . PHE A 1 10 ? 0.551 -2.642 -8.508 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 7 -ATOM 9697 O O . PHE A 1 10 ? 0.750 -2.805 -9.725 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 7 -ATOM 9698 C CB . PHE A 1 10 ? -1.203 -0.930 -8.309 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 7 -ATOM 9699 C CG . PHE A 1 10 ? -1.765 0.336 -7.718 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 7 -ATOM 9700 C CD1 . PHE A 1 10 ? -2.373 0.317 -6.474 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 7 -ATOM 9701 C CD2 . PHE A 1 10 ? -1.717 1.531 -8.415 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 7 -ATOM 9702 C CE1 . PHE A 1 10 ? -2.920 1.465 -5.935 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 7 -ATOM 9703 C CE2 . PHE A 1 10 ? -2.266 2.683 -7.886 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 7 -ATOM 9704 C CZ . PHE A 1 10 ? -2.866 2.650 -6.643 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 7 -ATOM 9705 H H . PHE A 1 10 ? 1.277 -0.246 -9.508 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 7 -ATOM 9706 H HA . PHE A 1 10 ? 0.381 -1.271 -6.890 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 7 -ATOM 9707 H HB2 . PHE A 1 10 ? -1.307 -0.854 -9.381 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 7 -ATOM 9708 H HB3 . PHE A 1 10 ? -1.821 -1.750 -7.975 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 7 -ATOM 9709 H HD1 . PHE A 1 10 ? -2.413 -0.610 -5.921 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 7 -ATOM 9710 H HD2 . PHE A 1 10 ? -1.246 1.560 -9.386 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 7 -ATOM 9711 H HE1 . PHE A 1 10 ? -3.390 1.437 -4.964 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 7 -ATOM 9712 H HE2 . PHE A 1 10 ? -2.220 3.608 -8.440 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 7 -ATOM 9713 H HZ . PHE A 1 10 ? -3.295 3.549 -6.225 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 7 -ATOM 9714 N N . ASP A 1 11 ? 0.595 -3.623 -7.643 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 7 -ATOM 9715 C CA . ASP A 1 11 ? 0.716 -4.996 -8.091 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 7 -ATOM 9716 C C . ASP A 1 11 ? -0.598 -5.419 -8.710 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 7 -ATOM 9717 O O . ASP A 1 11 ? -1.640 -4.892 -8.326 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 7 -ATOM 9718 C CB . ASP A 1 11 ? 1.057 -5.937 -6.947 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 7 -ATOM 9719 C CG . ASP A 1 11 ? 1.175 -7.354 -7.432 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 7 -ATOM 9720 O OD1 . ASP A 1 11 ? 2.150 -7.674 -8.141 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 7 -ATOM 9721 O OD2 . ASP A 1 11 ? 0.276 -8.148 -7.182 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 7 -ATOM 9722 H H . ASP A 1 11 ? 0.564 -3.439 -6.677 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 7 -ATOM 9723 H HA . ASP A 1 11 ? 1.497 -5.026 -8.833 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 7 -ATOM 9724 H HB2 . ASP A 1 11 ? 1.993 -5.639 -6.501 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 7 -ATOM 9725 H HB3 . ASP A 1 11 ? 0.272 -5.892 -6.206 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 7 -ATOM 9726 N N . GLU A 1 12 ? -0.567 -6.352 -9.650 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 7 -ATOM 9727 C CA . GLU A 1 12 ? -1.778 -6.802 -10.300 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 7 -ATOM 9728 C C . GLU A 1 12 ? -2.797 -7.368 -9.313 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 7 -ATOM 9729 O O . GLU A 1 12 ? -3.992 -7.125 -9.458 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 7 -ATOM 9730 C CB . GLU A 1 12 ? -1.492 -7.724 -11.520 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 7 -ATOM 9731 C CG . GLU A 1 12 ? -0.622 -8.969 -11.278 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 7 -ATOM 9732 C CD . GLU A 1 12 ? -1.331 -10.118 -10.584 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 7 -ATOM 9733 O OE1 . GLU A 1 12 ? -2.555 -10.255 -10.716 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 7 -ATOM 9734 O OE2 . GLU A 1 12 ? -0.661 -10.948 -9.965 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 7 -ATOM 9735 H H . GLU A 1 12 ? 0.293 -6.752 -9.904 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 7 -ATOM 9736 H HA . GLU A 1 12 ? -2.227 -5.891 -10.670 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 7 -ATOM 9737 H HB2 . GLU A 1 12 ? -2.439 -8.073 -11.902 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 7 -ATOM 9738 H HB3 . GLU A 1 12 ? -1.021 -7.128 -12.289 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 7 -ATOM 9739 H HG2 . GLU A 1 12 ? -0.255 -9.326 -12.229 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 7 -ATOM 9740 H HG3 . GLU A 1 12 ? 0.220 -8.673 -10.671 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 7 -ATOM 9741 N N . ARG A 1 13 ? -2.322 -8.024 -8.254 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 7 -ATOM 9742 C CA . ARG A 1 13 ? -3.220 -8.585 -7.260 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 7 -ATOM 9743 C C . ARG A 1 13 ? -3.871 -7.474 -6.485 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 7 -ATOM 9744 O O . ARG A 1 13 ? -5.094 -7.473 -6.276 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 7 -ATOM 9745 C CB . ARG A 1 13 ? -2.490 -9.495 -6.289 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 7 -ATOM 9746 C CG . ARG A 1 13 ? -1.787 -10.651 -6.934 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 7 -ATOM 9747 C CD . ARG A 1 13 ? -1.128 -11.508 -5.899 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 7 -ATOM 9748 N NE . ARG A 1 13 ? -0.435 -12.650 -6.486 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 7 -ATOM 9749 C CZ . ARG A 1 13 ? -0.160 -13.773 -5.817 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 7 -ATOM 9750 N NH1 . ARG A 1 13 ? -0.648 -13.957 -4.585 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 7 -ATOM 9751 N NH2 . ARG A 1 13 ? 0.563 -14.727 -6.387 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 7 -ATOM 9752 H H . ARG A 1 13 ? -1.348 -8.129 -8.123 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 7 -ATOM 9753 H HA . ARG A 1 13 ? -3.979 -9.146 -7.782 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 7 -ATOM 9754 H HB2 . ARG A 1 13 ? -1.755 -8.909 -5.758 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 7 -ATOM 9755 H HB3 . ARG A 1 13 ? -3.203 -9.884 -5.578 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 7 -ATOM 9756 H HG2 . ARG A 1 13 ? -2.512 -11.244 -7.470 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 7 -ATOM 9757 H HG3 . ARG A 1 13 ? -1.040 -10.280 -7.619 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 7 -ATOM 9758 H HD2 . ARG A 1 13 ? -0.418 -10.907 -5.349 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 7 -ATOM 9759 H HD3 . ARG A 1 13 ? -1.888 -11.872 -5.224 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 7 -ATOM 9760 H HE . ARG A 1 13 ? -0.155 -12.505 -7.419 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 7 -ATOM 9761 H HH11 . ARG A 1 13 ? -1.242 -13.285 -4.113 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 7 -ATOM 9762 H HH12 . ARG A 1 13 ? -0.442 -14.775 -4.044 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 7 -ATOM 9763 H HH21 . ARG A 1 13 ? 0.930 -14.652 -7.318 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 7 -ATOM 9764 H HH22 . ARG A 1 13 ? 0.774 -15.583 -5.902 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 7 -ATOM 9765 N N . ALA A 1 14 ? -3.056 -6.514 -6.099 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 7 -ATOM 9766 C CA . ALA A 1 14 ? -3.498 -5.374 -5.329 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 7 -ATOM 9767 C C . ALA A 1 14 ? -4.430 -4.507 -6.137 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 7 -ATOM 9768 O O . ALA A 1 14 ? -5.356 -3.933 -5.604 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 7 -ATOM 9769 C CB . ALA A 1 14 ? -2.312 -4.555 -4.865 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 7 -ATOM 9770 H H . ALA A 1 14 ? -2.110 -6.585 -6.348 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 7 -ATOM 9771 H HA . ALA A 1 14 ? -4.019 -5.739 -4.455 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 7 -ATOM 9772 H HB1 . ALA A 1 14 ? -1.785 -4.166 -5.723 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 7 -ATOM 9773 H HB2 . ALA A 1 14 ? -1.647 -5.178 -4.285 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 7 -ATOM 9774 H HB3 . ALA A 1 14 ? -2.664 -3.735 -4.257 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 7 -ATOM 9775 N N . LEU A 1 15 ? -4.210 -4.464 -7.428 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 7 -ATOM 9776 C CA . LEU A 1 15 ? -4.986 -3.623 -8.303 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 7 -ATOM 9777 C C . LEU A 1 15 ? -6.382 -4.202 -8.456 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 7 -ATOM 9778 O O . LEU A 1 15 ? -7.359 -3.474 -8.539 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 7 -ATOM 9779 C CB . LEU A 1 15 ? -4.281 -3.483 -9.646 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 7 -ATOM 9780 C CG . LEU A 1 15 ? -4.765 -2.362 -10.579 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 7 -ATOM 9781 C CD1 . LEU A 1 15 ? -4.732 -1.007 -9.879 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 7 -ATOM 9782 C CD2 . LEU A 1 15 ? -3.892 -2.319 -11.819 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 7 -ATOM 9783 H H . LEU A 1 15 ? -3.487 -5.014 -7.806 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 7 -ATOM 9784 H HA . LEU A 1 15 ? -5.058 -2.652 -7.835 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 7 -ATOM 9785 H HB2 . LEU A 1 15 ? -3.219 -3.397 -9.481 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 7 -ATOM 9786 H HB3 . LEU A 1 15 ? -4.454 -4.415 -10.159 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 7 -ATOM 9787 H HG . LEU A 1 15 ? -5.779 -2.558 -10.889 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 7 -ATOM 9788 H HD11 . LEU A 1 15 ? -3.731 -0.803 -9.528 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 7 -ATOM 9789 H HD12 . LEU A 1 15 ? -5.421 -1.003 -9.048 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 7 -ATOM 9790 H HD13 . LEU A 1 15 ? -5.024 -0.244 -10.584 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 7 -ATOM 9791 H HD21 . LEU A 1 15 ? -2.867 -2.135 -11.530 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 7 -ATOM 9792 H HD22 . LEU A 1 15 ? -4.234 -1.528 -12.468 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 7 -ATOM 9793 H HD23 . LEU A 1 15 ? -3.956 -3.265 -12.336 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 7 -ATOM 9794 N N . LYS A 1 16 ? -6.466 -5.517 -8.455 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 7 -ATOM 9795 C CA . LYS A 1 16 ? -7.750 -6.203 -8.491 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 7 -ATOM 9796 C C . LYS A 1 16 ? -8.500 -5.928 -7.197 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 7 -ATOM 9797 O O . LYS A 1 16 ? -9.694 -5.649 -7.204 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 7 -ATOM 9798 C CB . LYS A 1 16 ? -7.533 -7.693 -8.643 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 7 -ATOM 9799 C CG . LYS A 1 16 ? -6.822 -8.078 -9.911 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 7 -ATOM 9800 C CD . LYS A 1 16 ? -6.373 -9.512 -9.848 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 7 -ATOM 9801 C CE . LYS A 1 16 ? -5.541 -9.888 -11.061 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 7 -ATOM 9802 N NZ . LYS A 1 16 ? -6.257 -9.720 -12.340 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 7 -ATOM 9803 H H . LYS A 1 16 ? -5.635 -6.040 -8.439 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 7 -ATOM 9804 H HA . LYS A 1 16 ? -8.321 -5.831 -9.329 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 7 -ATOM 9805 H HB2 . LYS A 1 16 ? -6.931 -8.021 -7.810 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 7 -ATOM 9806 H HB3 . LYS A 1 16 ? -8.485 -8.199 -8.613 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 7 -ATOM 9807 H HG2 . LYS A 1 16 ? -7.492 -7.949 -10.747 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 7 -ATOM 9808 H HG3 . LYS A 1 16 ? -5.957 -7.442 -10.035 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 7 -ATOM 9809 H HD2 . LYS A 1 16 ? -5.754 -9.596 -8.965 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 7 -ATOM 9810 H HD3 . LYS A 1 16 ? -7.231 -10.162 -9.764 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 7 -ATOM 9811 H HE2 . LYS A 1 16 ? -4.657 -9.268 -11.080 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 7 -ATOM 9812 H HE3 . LYS A 1 16 ? -5.245 -10.921 -10.958 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 7 -ATOM 9813 H HZ1 . LYS A 1 16 ? -6.595 -8.748 -12.483 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 7 -ATOM 9814 H HZ2 . LYS A 1 16 ? -7.077 -10.359 -12.397 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 7 -ATOM 9815 H HZ3 . LYS A 1 16 ? -5.621 -9.961 -13.127 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 7 -ATOM 9816 N N . GLU A 1 17 ? -7.772 -5.972 -6.084 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 7 -ATOM 9817 C CA . GLU A 1 17 ? -8.338 -5.686 -4.777 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 7 -ATOM 9818 C C . GLU A 1 17 ? -8.813 -4.237 -4.722 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 7 -ATOM 9819 O O . GLU A 1 17 ? -9.856 -3.945 -4.177 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 7 -ATOM 9820 C CB . GLU A 1 17 ? -7.301 -5.944 -3.690 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 7 -ATOM 9821 C CG . GLU A 1 17 ? -6.798 -7.371 -3.654 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 7 -ATOM 9822 C CD . GLU A 1 17 ? -7.887 -8.358 -3.354 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 7 -ATOM 9823 O OE1 . GLU A 1 17 ? -8.340 -8.433 -2.195 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 7 -ATOM 9824 O OE2 . GLU A 1 17 ? -8.330 -9.074 -4.273 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 7 -ATOM 9825 H H . GLU A 1 17 ? -6.822 -6.219 -6.138 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 7 -ATOM 9826 H HA . GLU A 1 17 ? -9.182 -6.343 -4.627 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 7 -ATOM 9827 H HB2 . GLU A 1 17 ? -6.459 -5.289 -3.856 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 7 -ATOM 9828 H HB3 . GLU A 1 17 ? -7.738 -5.714 -2.729 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 7 -ATOM 9829 H HG2 . GLU A 1 17 ? -6.408 -7.595 -4.637 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 7 -ATOM 9830 H HG3 . GLU A 1 17 ? -6.002 -7.476 -2.936 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 7 -ATOM 9831 N N . TRP A 1 18 ? -8.036 -3.366 -5.324 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 7 -ATOM 9832 C CA . TRP A 1 18 ? -8.310 -1.938 -5.441 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 7 -ATOM 9833 C C . TRP A 1 18 ? -9.621 -1.695 -6.214 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 7 -ATOM 9834 O O . TRP A 1 18 ? -10.417 -0.810 -5.871 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 7 -ATOM 9835 C CB . TRP A 1 18 ? -7.116 -1.299 -6.170 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 7 -ATOM 9836 C CG . TRP A 1 18 ? -7.187 0.169 -6.383 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 7 -ATOM 9837 C CD1 . TRP A 1 18 ? -7.538 0.815 -7.531 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 7 -ATOM 9838 C CD2 . TRP A 1 18 ? -6.868 1.173 -5.431 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 7 -ATOM 9839 N NE1 . TRP A 1 18 ? -7.470 2.173 -7.339 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 7 -ATOM 9840 C CE2 . TRP A 1 18 ? -7.060 2.415 -6.056 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 7 -ATOM 9841 C CE3 . TRP A 1 18 ? -6.446 1.143 -4.101 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 7 -ATOM 9842 C CZ2 . TRP A 1 18 ? -6.835 3.612 -5.401 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 7 -ATOM 9843 C CZ3 . TRP A 1 18 ? -6.222 2.331 -3.453 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 7 -ATOM 9844 C CH2 . TRP A 1 18 ? -6.419 3.549 -4.099 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 7 -ATOM 9845 H H . TRP A 1 18 ? -7.189 -3.694 -5.700 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 7 -ATOM 9846 H HA . TRP A 1 18 ? -8.384 -1.513 -4.450 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 7 -ATOM 9847 H HB2 . TRP A 1 18 ? -6.219 -1.493 -5.602 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 7 -ATOM 9848 H HB3 . TRP A 1 18 ? -7.021 -1.775 -7.136 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 7 -ATOM 9849 H HD1 . TRP A 1 18 ? -7.825 0.304 -8.440 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 7 -ATOM 9850 H HE1 . TRP A 1 18 ? -7.677 2.865 -8.007 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 7 -ATOM 9851 H HE3 . TRP A 1 18 ? -6.290 0.206 -3.587 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 7 -ATOM 9852 H HZ2 . TRP A 1 18 ? -6.985 4.560 -5.895 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 7 -ATOM 9853 H HZ3 . TRP A 1 18 ? -5.893 2.331 -2.425 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 7 -ATOM 9854 H HH2 . TRP A 1 18 ? -6.230 4.455 -3.543 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 7 -ATOM 9855 N N . ARG A 1 19 ? -9.837 -2.482 -7.244 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 7 -ATOM 9856 C CA . ARG A 1 19 ? -11.047 -2.401 -8.050 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 7 -ATOM 9857 C C . ARG A 1 19 ? -12.230 -3.004 -7.295 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 7 -ATOM 9858 O O . ARG A 1 19 ? -13.363 -2.534 -7.419 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 7 -ATOM 9859 C CB . ARG A 1 19 ? -10.833 -3.101 -9.386 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 7 -ATOM 9860 C CG . ARG A 1 19 ? -9.743 -2.464 -10.230 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 7 -ATOM 9861 C CD . ARG A 1 19 ? -9.446 -3.285 -11.461 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 7 -ATOM 9862 N NE . ARG A 1 19 ? -8.363 -2.703 -12.258 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 7 -ATOM 9863 C CZ . ARG A 1 19 ? -7.512 -3.398 -13.021 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 7 -ATOM 9864 N NH1 . ARG A 1 19 ? -7.565 -4.729 -13.044 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 7 -ATOM 9865 N NH2 . ARG A 1 19 ? -6.590 -2.761 -13.738 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 7 -ATOM 9866 H H . ARG A 1 19 ? -9.140 -3.136 -7.476 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 7 -ATOM 9867 H HA . ARG A 1 19 ? -11.250 -1.355 -8.227 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 7 -ATOM 9868 H HB2 . ARG A 1 19 ? -10.555 -4.128 -9.196 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 7 -ATOM 9869 H HB3 . ARG A 1 19 ? -11.754 -3.082 -9.950 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 7 -ATOM 9870 H HG2 . ARG A 1 19 ? -10.056 -1.475 -10.530 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 7 -ATOM 9871 H HG3 . ARG A 1 19 ? -8.845 -2.386 -9.634 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 7 -ATOM 9872 H HD2 . ARG A 1 19 ? -9.148 -4.270 -11.140 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 7 -ATOM 9873 H HD3 . ARG A 1 19 ? -10.337 -3.353 -12.068 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 7 -ATOM 9874 H HE . ARG A 1 19 ? -8.297 -1.720 -12.206 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 7 -ATOM 9875 H HH11 . ARG A 1 19 ? -8.236 -5.250 -12.510 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 7 -ATOM 9876 H HH12 . ARG A 1 19 ? -6.924 -5.291 -13.575 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 7 -ATOM 9877 H HH21 . ARG A 1 19 ? -6.487 -1.761 -13.740 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 7 -ATOM 9878 H HH22 . ARG A 1 19 ? -5.944 -3.240 -14.339 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 7 -ATOM 9879 N N . LYS A 1 20 ? -11.933 -4.013 -6.494 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 7 -ATOM 9880 C CA . LYS A 1 20 ? -12.907 -4.705 -5.656 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 7 -ATOM 9881 C C . LYS A 1 20 ? -13.328 -3.827 -4.469 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 7 -ATOM 9882 O O . LYS A 1 20 ? -14.438 -3.955 -3.944 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 7 -ATOM 9883 C CB . LYS A 1 20 ? -12.289 -6.071 -5.212 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 7 -ATOM 9884 C CG . LYS A 1 20 ? -13.089 -6.937 -4.210 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 7 -ATOM 9885 C CD . LYS A 1 20 ? -12.843 -6.550 -2.745 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 7 -ATOM 9886 C CE . LYS A 1 20 ? -11.390 -6.799 -2.315 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 7 -ATOM 9887 N NZ . LYS A 1 20 ? -11.014 -8.228 -2.399 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 7 -ATOM 9888 H H . LYS A 1 20 ? -11.005 -4.335 -6.490 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 7 -ATOM 9889 H HA . LYS A 1 20 ? -13.779 -4.902 -6.261 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 7 -ATOM 9890 H HB2 . LYS A 1 20 ? -12.136 -6.667 -6.098 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 7 -ATOM 9891 H HB3 . LYS A 1 20 ? -11.318 -5.861 -4.790 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 7 -ATOM 9892 H HG2 . LYS A 1 20 ? -14.139 -6.811 -4.418 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 7 -ATOM 9893 H HG3 . LYS A 1 20 ? -12.826 -7.974 -4.351 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 7 -ATOM 9894 H HD2 . LYS A 1 20 ? -13.070 -5.502 -2.619 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 7 -ATOM 9895 H HD3 . LYS A 1 20 ? -13.501 -7.136 -2.119 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 7 -ATOM 9896 H HE2 . LYS A 1 20 ? -10.722 -6.220 -2.933 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 7 -ATOM 9897 H HE3 . LYS A 1 20 ? -11.284 -6.471 -1.291 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 7 -ATOM 9898 H HZ1 . LYS A 1 20 ? -11.533 -8.783 -1.689 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 7 -ATOM 9899 H HZ2 . LYS A 1 20 ? -9.996 -8.364 -2.206 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 7 -ATOM 9900 H HZ3 . LYS A 1 20 ? -11.225 -8.634 -3.333 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 7 -ATOM 9901 N N . LEU A 1 21 ? -12.436 -2.959 -4.056 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 7 -ATOM 9902 C CA . LEU A 1 21 ? -12.668 -2.039 -2.962 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 7 -ATOM 9903 C C . LEU A 1 21 ? -13.778 -1.062 -3.267 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 7 -ATOM 9904 O O . LEU A 1 21 ? -14.048 -0.734 -4.440 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 7 -ATOM 9905 C CB . LEU A 1 21 ? -11.396 -1.262 -2.628 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 7 -ATOM 9906 C CG . LEU A 1 21 ? -10.765 -1.539 -1.268 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 7 -ATOM 9907 C CD1 . LEU A 1 21 ? -10.395 -3.005 -1.110 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 7 -ATOM 9908 C CD2 . LEU A 1 21 ? -9.553 -0.659 -1.080 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 7 -ATOM 9909 H H . LEU A 1 21 ? -11.564 -2.951 -4.506 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 7 -ATOM 9910 H HA . LEU A 1 21 ? -12.944 -2.616 -2.093 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 7 -ATOM 9911 H HB2 . LEU A 1 21 ? -10.660 -1.465 -3.390 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 7 -ATOM 9912 H HB3 . LEU A 1 21 ? -11.639 -0.210 -2.673 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 7 -ATOM 9913 H HG . LEU A 1 21 ? -11.475 -1.287 -0.496 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 7 -ATOM 9914 H HD11 . LEU A 1 21 ? -9.950 -3.161 -0.140 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 7 -ATOM 9915 H HD12 . LEU A 1 21 ? -9.693 -3.286 -1.880 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 7 -ATOM 9916 H HD13 . LEU A 1 21 ? -11.284 -3.612 -1.197 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 7 -ATOM 9917 H HD21 . LEU A 1 21 ? -9.854 0.377 -1.136 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 7 -ATOM 9918 H HD22 . LEU A 1 21 ? -8.829 -0.869 -1.854 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 7 -ATOM 9919 H HD23 . LEU A 1 21 ? -9.114 -0.852 -0.111 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 7 -ATOM 9920 N N . GLY A 1 22 ? -14.410 -0.606 -2.216 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 7 -ATOM 9921 C CA . GLY A 1 22 ? -15.447 0.364 -2.326 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 7 -ATOM 9922 C C . GLY A 1 22 ? -14.890 1.683 -2.754 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 7 -ATOM 9923 O O . GLY A 1 22 ? -13.774 2.045 -2.344 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 7 -ATOM 9924 H H . GLY A 1 22 ? -14.160 -0.941 -1.330 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 7 -ATOM 9925 H HA2 . GLY A 1 22 ? -16.181 0.032 -3.045 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 7 -ATOM 9926 H HA3 . GLY A 1 22 ? -15.914 0.485 -1.362 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 7 -ATOM 9927 N N . SER A 1 23 ? -15.644 2.383 -3.569 1.00 0.00 ? ? ? ? ? ? 20 SER A N 7 -ATOM 9928 C CA . SER A 1 23 ? -15.265 3.649 -4.153 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 7 -ATOM 9929 C C . SER A 1 23 ? -14.720 4.636 -3.109 1.00 0.00 ? ? ? ? ? ? 20 SER A C 7 -ATOM 9930 O O . SER A 1 23 ? -13.588 5.078 -3.211 1.00 0.00 ? ? ? ? ? ? 20 SER A O 7 -ATOM 9931 C CB . SER A 1 23 ? -16.485 4.226 -4.835 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 7 -ATOM 9932 O OG . SER A 1 23 ? -17.108 3.233 -5.643 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 7 -ATOM 9933 H H . SER A 1 23 ? -16.525 2.040 -3.833 1.00 0.00 ? ? ? ? ? ? 20 SER A H 7 -ATOM 9934 H HA . SER A 1 23 ? -14.514 3.469 -4.907 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 7 -ATOM 9935 H HB2 . SER A 1 23 ? -17.186 4.565 -4.086 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 7 -ATOM 9936 H HB3 . SER A 1 23 ? -16.192 5.054 -5.462 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 7 -ATOM 9937 H HG . SER A 1 23 ? -17.992 3.557 -5.859 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 7 -ATOM 9938 N N . THR A 1 24 ? -15.490 4.879 -2.077 1.00 0.00 ? ? ? ? ? ? 21 THR A N 7 -ATOM 9939 C CA . THR A 1 24 ? -15.151 5.847 -1.053 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 7 -ATOM 9940 C C . THR A 1 24 ? -13.885 5.411 -0.288 1.00 0.00 ? ? ? ? ? ? 21 THR A C 7 -ATOM 9941 O O . THR A 1 24 ? -13.039 6.240 0.071 1.00 0.00 ? ? ? ? ? ? 21 THR A O 7 -ATOM 9942 C CB . THR A 1 24 ? -16.339 5.999 -0.081 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 7 -ATOM 9943 O OG1 . THR A 1 24 ? -17.548 6.210 -0.844 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 7 -ATOM 9944 C CG2 . THR A 1 24 ? -16.136 7.177 0.863 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 7 -ATOM 9945 H H . THR A 1 24 ? -16.317 4.366 -1.968 1.00 0.00 ? ? ? ? ? ? 21 THR A H 7 -ATOM 9946 H HA . THR A 1 24 ? -14.972 6.798 -1.533 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 7 -ATOM 9947 H HB . THR A 1 24 ? -16.431 5.089 0.492 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 7 -ATOM 9948 H HG1 . THR A 1 24 ? -17.366 6.897 -1.497 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 7 -ATOM 9949 H HG21 . THR A 1 24 ? -15.235 7.031 1.441 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 7 -ATOM 9950 H HG22 . THR A 1 24 ? -16.983 7.256 1.527 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 7 -ATOM 9951 H HG23 . THR A 1 24 ? -16.048 8.087 0.288 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 7 -ATOM 9952 N N . VAL A 1 25 ? -13.734 4.110 -0.109 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 7 -ATOM 9953 C CA . VAL A 1 25 ? -12.603 3.568 0.609 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 7 -ATOM 9954 C C . VAL A 1 25 ? -11.325 3.748 -0.203 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 7 -ATOM 9955 O O . VAL A 1 25 ? -10.327 4.268 0.296 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 7 -ATOM 9956 C CB . VAL A 1 25 ? -12.810 2.056 0.933 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 7 -ATOM 9957 C CG1 . VAL A 1 25 ? -11.571 1.453 1.570 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 7 -ATOM 9958 C CG2 . VAL A 1 25 ? -14.004 1.869 1.855 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 7 -ATOM 9959 H H . VAL A 1 25 ? -14.401 3.501 -0.494 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 7 -ATOM 9960 H HA . VAL A 1 25 ? -12.508 4.109 1.540 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 7 -ATOM 9961 H HB . VAL A 1 25 ? -13.010 1.533 0.009 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 7 -ATOM 9962 H HG11 . VAL A 1 25 ? -11.352 1.970 2.493 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 7 -ATOM 9963 H HG12 . VAL A 1 25 ? -10.733 1.551 0.896 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 7 -ATOM 9964 H HG13 . VAL A 1 25 ? -11.744 0.407 1.779 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 7 -ATOM 9965 H HG21 . VAL A 1 25 ? -14.890 2.270 1.387 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 7 -ATOM 9966 H HG22 . VAL A 1 25 ? -13.824 2.385 2.787 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 7 -ATOM 9967 H HG23 . VAL A 1 25 ? -14.144 0.816 2.053 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 7 -ATOM 9968 N N . ARG A 1 26 ? -11.382 3.386 -1.461 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 7 -ATOM 9969 C CA . ARG A 1 26 ? -10.224 3.506 -2.315 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 7 -ATOM 9970 C C . ARG A 1 26 ? -9.855 4.956 -2.599 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 7 -ATOM 9971 O O . ARG A 1 26 ? -8.681 5.270 -2.713 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 7 -ATOM 9972 C CB . ARG A 1 26 ? -10.345 2.709 -3.597 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 7 -ATOM 9973 C CG . ARG A 1 26 ? -11.587 2.984 -4.392 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 7 -ATOM 9974 C CD . ARG A 1 26 ? -11.420 2.490 -5.790 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 7 -ATOM 9975 N NE . ARG A 1 26 ? -12.674 2.557 -6.543 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 7 -ATOM 9976 C CZ . ARG A 1 26 ? -13.257 1.507 -7.134 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 7 -ATOM 9977 N NH1 . ARG A 1 26 ? -12.694 0.304 -7.081 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 7 -ATOM 9978 N NH2 . ARG A 1 26 ? -14.408 1.660 -7.758 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 7 -ATOM 9979 H H . ARG A 1 26 ? -12.228 3.029 -1.814 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 7 -ATOM 9980 H HA . ARG A 1 26 ? -9.406 3.098 -1.739 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 7 -ATOM 9981 H HB2 . ARG A 1 26 ? -9.488 2.910 -4.222 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 7 -ATOM 9982 H HB3 . ARG A 1 26 ? -10.348 1.660 -3.333 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 7 -ATOM 9983 H HG2 . ARG A 1 26 ? -12.385 2.422 -3.927 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 7 -ATOM 9984 H HG3 . ARG A 1 26 ? -11.852 4.032 -4.371 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 7 -ATOM 9985 H HD2 . ARG A 1 26 ? -10.672 3.130 -6.239 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 7 -ATOM 9986 H HD3 . ARG A 1 26 ? -11.055 1.475 -5.764 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 7 -ATOM 9987 H HE . ARG A 1 26 ? -13.095 3.448 -6.588 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 7 -ATOM 9988 H HH11 . ARG A 1 26 ? -11.825 0.123 -6.606 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 7 -ATOM 9989 H HH12 . ARG A 1 26 ? -13.120 -0.498 -7.513 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 7 -ATOM 9990 H HH21 . ARG A 1 26 ? -14.883 2.542 -7.809 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 7 -ATOM 9991 H HH22 . ARG A 1 26 ? -14.870 0.895 -8.217 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 7 -ATOM 9992 N N . GLU A 1 27 ? -10.853 5.829 -2.725 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 7 -ATOM 9993 C CA . GLU A 1 27 ? -10.595 7.245 -2.960 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 7 -ATOM 9994 C C . GLU A 1 27 ? -9.746 7.830 -1.858 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 7 -ATOM 9995 O O . GLU A 1 27 ? -8.720 8.445 -2.132 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 7 -ATOM 9996 C CB . GLU A 1 27 ? -11.882 8.035 -3.106 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 7 -ATOM 9997 C CG . GLU A 1 27 ? -12.670 7.683 -4.339 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 7 -ATOM 9998 C CD . GLU A 1 27 ? -13.915 8.491 -4.464 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 7 -ATOM 9999 O OE1 . GLU A 1 27 ? -14.845 8.320 -3.654 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 7 -ATOM 10000 O OE2 . GLU A 1 27 ? -14.007 9.304 -5.396 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 7 -ATOM 10001 H H . GLU A 1 27 ? -11.783 5.514 -2.671 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 7 -ATOM 10002 H HA . GLU A 1 27 ? -10.035 7.316 -3.881 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 7 -ATOM 10003 H HB2 . GLU A 1 27 ? -12.504 7.817 -2.249 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 7 -ATOM 10004 H HB3 . GLU A 1 27 ? -11.658 9.092 -3.128 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 7 -ATOM 10005 H HG2 . GLU A 1 27 ? -12.054 7.858 -5.208 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 7 -ATOM 10006 H HG3 . GLU A 1 27 ? -12.936 6.637 -4.294 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 7 -ATOM 10007 N N . GLN A 1 28 ? -10.143 7.596 -0.613 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 7 -ATOM 10008 C CA . GLN A 1 28 ? -9.380 8.094 0.532 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 7 -ATOM 10009 C C . GLN A 1 28 ? -7.987 7.479 0.591 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 7 -ATOM 10010 O O . GLN A 1 28 ? -7.022 8.152 0.960 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 7 -ATOM 10011 C CB . GLN A 1 28 ? -10.136 7.911 1.854 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 7 -ATOM 10012 C CG . GLN A 1 28 ? -11.028 9.096 2.255 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 7 -ATOM 10013 C CD . GLN A 1 28 ? -12.019 9.526 1.185 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 7 -ATOM 10014 O OE1 . GLN A 1 28 ? -11.723 10.382 0.352 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 7 -ATOM 10015 N NE2 . GLN A 1 28 ? -13.179 8.957 1.195 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 7 -ATOM 10016 H H . GLN A 1 28 ? -10.959 7.069 -0.463 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 7 -ATOM 10017 H HA . GLN A 1 28 ? -9.245 9.152 0.357 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 7 -ATOM 10018 H HB2 . GLN A 1 28 ? -10.764 7.037 1.767 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 7 -ATOM 10019 H HB3 . GLN A 1 28 ? -9.414 7.746 2.641 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 7 -ATOM 10020 H HG2 . GLN A 1 28 ? -11.589 8.822 3.136 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 7 -ATOM 10021 H HG3 . GLN A 1 28 ? -10.388 9.934 2.491 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 7 -ATOM 10022 H HE21 . GLN A 1 28 ? -13.363 8.281 1.881 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 7 -ATOM 10023 H HE22 . GLN A 1 28 ? -13.821 9.218 0.499 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 7 -ATOM 10024 N N . LEU A 1 29 ? -7.881 6.223 0.200 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 7 -ATOM 10025 C CA . LEU A 1 29 ? -6.594 5.555 0.151 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 7 -ATOM 10026 C C . LEU A 1 29 ? -5.700 6.170 -0.920 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 7 -ATOM 10027 O O . LEU A 1 29 ? -4.532 6.430 -0.670 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 7 -ATOM 10028 C CB . LEU A 1 29 ? -6.752 4.054 -0.076 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 7 -ATOM 10029 C CG . LEU A 1 29 ? -7.436 3.264 1.054 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 7 -ATOM 10030 C CD1 . LEU A 1 29 ? -7.548 1.804 0.686 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 7 -ATOM 10031 C CD2 . LEU A 1 29 ? -6.678 3.420 2.367 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 7 -ATOM 10032 H H . LEU A 1 29 ? -8.693 5.730 -0.052 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 7 -ATOM 10033 H HA . LEU A 1 29 ? -6.120 5.714 1.107 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 7 -ATOM 10034 H HB2 . LEU A 1 29 ? -7.325 3.933 -0.984 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 7 -ATOM 10035 H HB3 . LEU A 1 29 ? -5.770 3.636 -0.239 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 7 -ATOM 10036 H HG . LEU A 1 29 ? -8.441 3.633 1.193 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 7 -ATOM 10037 H HD11 . LEU A 1 29 ? -8.132 1.703 -0.217 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 7 -ATOM 10038 H HD12 . LEU A 1 29 ? -8.032 1.269 1.490 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 7 -ATOM 10039 H HD13 . LEU A 1 29 ? -6.561 1.399 0.524 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 7 -ATOM 10040 H HD21 . LEU A 1 29 ? -5.658 3.091 2.233 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 7 -ATOM 10041 H HD22 . LEU A 1 29 ? -7.150 2.808 3.122 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 7 -ATOM 10042 H HD23 . LEU A 1 29 ? -6.691 4.451 2.685 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 7 -ATOM 10043 N N . LYS A 1 30 ? -6.251 6.417 -2.101 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 7 -ATOM 10044 C CA . LYS A 1 30 ? -5.494 7.047 -3.180 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 7 -ATOM 10045 C C . LYS A 1 30 ? -5.053 8.459 -2.785 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 7 -ATOM 10046 O O . LYS A 1 30 ? -3.922 8.870 -3.065 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 7 -ATOM 10047 C CB . LYS A 1 30 ? -6.312 7.127 -4.449 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 7 -ATOM 10048 C CG . LYS A 1 30 ? -5.529 7.699 -5.616 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 7 -ATOM 10049 C CD . LYS A 1 30 ? -6.396 7.930 -6.827 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 7 -ATOM 10050 C CE . LYS A 1 30 ? -7.372 9.065 -6.589 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 7 -ATOM 10051 N NZ . LYS A 1 30 ? -8.268 9.254 -7.729 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 7 -ATOM 10052 H H . LYS A 1 30 ? -7.182 6.135 -2.267 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 7 -ATOM 10053 H HA . LYS A 1 30 ? -4.616 6.445 -3.364 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 7 -ATOM 10054 H HB2 . LYS A 1 30 ? -6.652 6.135 -4.704 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 7 -ATOM 10055 H HB3 . LYS A 1 30 ? -7.170 7.750 -4.253 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 7 -ATOM 10056 H HG2 . LYS A 1 30 ? -5.128 8.647 -5.285 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 7 -ATOM 10057 H HG3 . LYS A 1 30 ? -4.720 7.027 -5.863 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 7 -ATOM 10058 H HD2 . LYS A 1 30 ? -5.766 8.177 -7.668 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 7 -ATOM 10059 H HD3 . LYS A 1 30 ? -6.949 7.026 -7.038 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 7 -ATOM 10060 H HE2 . LYS A 1 30 ? -7.964 8.860 -5.711 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 7 -ATOM 10061 H HE3 . LYS A 1 30 ? -6.800 9.969 -6.434 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 7 -ATOM 10062 H HZ1 . LYS A 1 30 ? -7.734 9.454 -8.598 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 7 -ATOM 10063 H HZ2 . LYS A 1 30 ? -8.889 10.070 -7.560 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 7 -ATOM 10064 H HZ3 . LYS A 1 30 ? -8.860 8.414 -7.886 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 7 -ATOM 10065 N N . LYS A 1 31 ? -5.953 9.194 -2.150 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 7 -ATOM 10066 C CA . LYS A 1 31 ? -5.650 10.537 -1.645 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 7 -ATOM 10067 C C . LYS A 1 31 ? -4.502 10.475 -0.645 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 7 -ATOM 10068 O O . LYS A 1 31 ? -3.653 11.375 -0.591 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 7 -ATOM 10069 C CB . LYS A 1 31 ? -6.879 11.170 -1.000 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 7 -ATOM 10070 C CG . LYS A 1 31 ? -8.016 11.418 -1.964 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 7 -ATOM 10071 C CD . LYS A 1 31 ? -9.251 11.900 -1.241 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 7 -ATOM 10072 C CE . LYS A 1 31 ? -10.416 12.058 -2.196 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 7 -ATOM 10073 N NZ . LYS A 1 31 ? -11.665 12.419 -1.489 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 7 -ATOM 10074 H H . LYS A 1 31 ? -6.855 8.818 -2.044 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 7 -ATOM 10075 H HA . LYS A 1 31 ? -5.346 11.133 -2.493 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 7 -ATOM 10076 H HB2 . LYS A 1 31 ? -7.236 10.524 -0.213 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 7 -ATOM 10077 H HB3 . LYS A 1 31 ? -6.589 12.119 -0.572 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 7 -ATOM 10078 H HG2 . LYS A 1 31 ? -7.712 12.172 -2.674 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 7 -ATOM 10079 H HG3 . LYS A 1 31 ? -8.245 10.500 -2.485 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 7 -ATOM 10080 H HD2 . LYS A 1 31 ? -9.519 11.184 -0.478 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 7 -ATOM 10081 H HD3 . LYS A 1 31 ? -9.037 12.854 -0.783 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 7 -ATOM 10082 H HE2 . LYS A 1 31 ? -10.174 12.839 -2.902 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 7 -ATOM 10083 H HE3 . LYS A 1 31 ? -10.562 11.128 -2.726 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 7 -ATOM 10084 H HZ1 . LYS A 1 31 ? -11.556 13.330 -0.999 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 7 -ATOM 10085 H HZ2 . LYS A 1 31 ? -11.889 11.692 -0.774 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 7 -ATOM 10086 H HZ3 . LYS A 1 31 ? -12.450 12.493 -2.166 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 7 -ATOM 10087 N N . LYS A 1 32 ? -4.468 9.402 0.121 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 7 -ATOM 10088 C CA . LYS A 1 32 ? -3.398 9.167 1.052 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 7 -ATOM 10089 C C . LYS A 1 32 ? -2.110 8.818 0.329 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 7 -ATOM 10090 O O . LYS A 1 32 ? -1.039 9.207 0.753 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 7 -ATOM 10091 C CB . LYS A 1 32 ? -3.752 8.085 2.059 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 7 -ATOM 10092 C CG . LYS A 1 32 ? -3.822 8.592 3.491 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 7 -ATOM 10093 C CD . LYS A 1 32 ? -4.970 9.561 3.692 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 7 -ATOM 10094 C CE . LYS A 1 32 ? -4.965 10.134 5.096 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 7 -ATOM 10095 N NZ . LYS A 1 32 ? -3.791 11.011 5.343 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 7 -ATOM 10096 H H . LYS A 1 32 ? -5.205 8.754 0.060 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 7 -ATOM 10097 H HA . LYS A 1 32 ? -3.232 10.088 1.587 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 7 -ATOM 10098 H HB2 . LYS A 1 32 ? -4.714 7.668 1.798 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 7 -ATOM 10099 H HB3 . LYS A 1 32 ? -3.003 7.310 2.003 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 7 -ATOM 10100 H HG2 . LYS A 1 32 ? -3.959 7.753 4.158 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 7 -ATOM 10101 H HG3 . LYS A 1 32 ? -2.895 9.092 3.731 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 7 -ATOM 10102 H HD2 . LYS A 1 32 ? -4.881 10.373 2.985 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 7 -ATOM 10103 H HD3 . LYS A 1 32 ? -5.901 9.041 3.526 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 7 -ATOM 10104 H HE2 . LYS A 1 32 ? -5.877 10.684 5.271 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 7 -ATOM 10105 H HE3 . LYS A 1 32 ? -4.909 9.286 5.765 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 7 -ATOM 10106 H HZ1 . LYS A 1 32 ? -2.904 10.473 5.400 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 7 -ATOM 10107 H HZ2 . LYS A 1 32 ? -3.900 11.564 6.216 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 7 -ATOM 10108 H HZ3 . LYS A 1 32 ? -3.682 11.698 4.561 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 7 -ATOM 10109 N N . LEU A 1 33 ? -2.224 8.099 -0.764 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 7 -ATOM 10110 C CA . LEU A 1 33 ? -1.072 7.731 -1.563 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 7 -ATOM 10111 C C . LEU A 1 33 ? -0.440 8.956 -2.198 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 7 -ATOM 10112 O O . LEU A 1 33 ? 0.771 9.141 -2.135 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 7 -ATOM 10113 C CB . LEU A 1 33 ? -1.444 6.717 -2.647 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 7 -ATOM 10114 C CG . LEU A 1 33 ? -2.003 5.384 -2.160 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 7 -ATOM 10115 C CD1 . LEU A 1 33 ? -2.317 4.481 -3.335 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 7 -ATOM 10116 C CD2 . LEU A 1 33 ? -1.031 4.714 -1.206 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 7 -ATOM 10117 H H . LEU A 1 33 ? -3.113 7.775 -1.029 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 7 -ATOM 10118 H HA . LEU A 1 33 ? -0.354 7.275 -0.899 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 7 -ATOM 10119 H HB2 . LEU A 1 33 ? -2.179 7.175 -3.293 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 7 -ATOM 10120 H HB3 . LEU A 1 33 ? -0.561 6.516 -3.233 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 7 -ATOM 10121 H HG . LEU A 1 33 ? -2.929 5.564 -1.632 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 7 -ATOM 10122 H HD11 . LEU A 1 33 ? -3.036 4.962 -3.981 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 7 -ATOM 10123 H HD12 . LEU A 1 33 ? -2.729 3.549 -2.975 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 7 -ATOM 10124 H HD13 . LEU A 1 33 ? -1.411 4.286 -3.888 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 7 -ATOM 10125 H HD21 . LEU A 1 33 ? -1.430 3.764 -0.886 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 7 -ATOM 10126 H HD22 . LEU A 1 33 ? -0.902 5.355 -0.346 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 7 -ATOM 10127 H HD23 . LEU A 1 33 ? -0.079 4.568 -1.693 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 7 -ATOM 10128 N N . VAL A 1 34 ? -1.265 9.809 -2.775 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 7 -ATOM 10129 C CA . VAL A 1 34 ? -0.769 10.995 -3.445 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 7 -ATOM 10130 C C . VAL A 1 34 ? -0.089 11.969 -2.445 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 7 -ATOM 10131 O O . VAL A 1 34 ? 0.939 12.589 -2.769 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 7 -ATOM 10132 C CB . VAL A 1 34 ? -1.870 11.691 -4.324 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 7 -ATOM 10133 C CG1 . VAL A 1 34 ? -2.991 12.281 -3.503 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 7 -ATOM 10134 C CG2 . VAL A 1 34 ? -1.279 12.730 -5.253 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 7 -ATOM 10135 H H . VAL A 1 34 ? -2.230 9.615 -2.752 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 7 -ATOM 10136 H HA . VAL A 1 34 ? 0.017 10.639 -4.097 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 7 -ATOM 10137 H HB . VAL A 1 34 ? -2.310 10.917 -4.934 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 7 -ATOM 10138 H HG11 . VAL A 1 34 ? -3.742 12.709 -4.152 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 7 -ATOM 10139 H HG12 . VAL A 1 34 ? -2.588 13.047 -2.859 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 7 -ATOM 10140 H HG13 . VAL A 1 34 ? -3.430 11.501 -2.899 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 7 -ATOM 10141 H HG21 . VAL A 1 34 ? -0.799 13.508 -4.678 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 7 -ATOM 10142 H HG22 . VAL A 1 34 ? -2.076 13.150 -5.850 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 7 -ATOM 10143 H HG23 . VAL A 1 34 ? -0.558 12.256 -5.902 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 7 -ATOM 10144 N N . GLU A 1 35 ? -0.649 12.106 -1.235 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 7 -ATOM 10145 C CA . GLU A 1 35 ? 0.002 12.908 -0.204 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 7 -ATOM 10146 C C . GLU A 1 35 ? 1.280 12.215 0.304 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 7 -ATOM 10147 O O . GLU A 1 35 ? 2.329 12.845 0.435 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 7 -ATOM 10148 C CB . GLU A 1 35 ? -0.940 13.274 0.979 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 7 -ATOM 10149 C CG . GLU A 1 35 ? -1.470 12.085 1.743 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 7 -ATOM 10150 C CD . GLU A 1 35 ? -2.263 12.433 2.976 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 7 -ATOM 10151 O OE1 . GLU A 1 35 ? -1.672 12.579 4.052 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 7 -ATOM 10152 O OE2 . GLU A 1 35 ? -3.503 12.501 2.915 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 7 -ATOM 10153 H H . GLU A 1 35 ? -1.507 11.669 -1.041 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 7 -ATOM 10154 H HA . GLU A 1 35 ? 0.319 13.816 -0.695 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 7 -ATOM 10155 H HB2 . GLU A 1 35 ? -0.409 13.907 1.673 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 7 -ATOM 10156 H HB3 . GLU A 1 35 ? -1.784 13.820 0.583 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 7 -ATOM 10157 H HG2 . GLU A 1 35 ? -2.108 11.540 1.065 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 7 -ATOM 10158 H HG3 . GLU A 1 35 ? -0.634 11.458 2.022 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 7 -ATOM 10159 N N . VAL A 1 36 ? 1.193 10.902 0.530 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 7 -ATOM 10160 C CA . VAL A 1 36 ? 2.280 10.132 1.123 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 7 -ATOM 10161 C C . VAL A 1 36 ? 3.527 10.131 0.247 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 7 -ATOM 10162 O O . VAL A 1 36 ? 4.597 10.060 0.744 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 7 -ATOM 10163 C CB . VAL A 1 36 ? 1.876 8.674 1.542 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 7 -ATOM 10164 C CG1 . VAL A 1 36 ? 2.024 7.653 0.416 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 7 -ATOM 10165 C CG2 . VAL A 1 36 ? 2.618 8.243 2.798 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 7 -ATOM 10166 H H . VAL A 1 36 ? 0.361 10.427 0.309 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 7 -ATOM 10167 H HA . VAL A 1 36 ? 2.547 10.677 2.016 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 7 -ATOM 10168 H HB . VAL A 1 36 ? 0.823 8.708 1.783 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 7 -ATOM 10169 H HG11 . VAL A 1 36 ? 1.444 7.975 -0.435 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 7 -ATOM 10170 H HG12 . VAL A 1 36 ? 1.674 6.688 0.749 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 7 -ATOM 10171 H HG13 . VAL A 1 36 ? 3.065 7.576 0.133 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 7 -ATOM 10172 H HG21 . VAL A 1 36 ? 2.388 7.214 3.027 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 7 -ATOM 10173 H HG22 . VAL A 1 36 ? 2.309 8.868 3.623 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 7 -ATOM 10174 H HG23 . VAL A 1 36 ? 3.680 8.357 2.650 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 7 -ATOM 10175 N N . LEU A 1 37 ? 3.357 10.225 -1.063 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 7 -ATOM 10176 C CA . LEU A 1 37 ? 4.482 10.200 -2.021 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 7 -ATOM 10177 C C . LEU A 1 37 ? 5.569 11.236 -1.739 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 7 -ATOM 10178 O O . LEU A 1 37 ? 6.719 11.034 -2.139 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 7 -ATOM 10179 C CB . LEU A 1 37 ? 3.999 10.335 -3.465 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 7 -ATOM 10180 C CG . LEU A 1 37 ? 3.253 9.138 -4.041 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 7 -ATOM 10181 C CD1 . LEU A 1 37 ? 2.770 9.446 -5.451 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 7 -ATOM 10182 C CD2 . LEU A 1 37 ? 4.157 7.909 -4.043 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 7 -ATOM 10183 H H . LEU A 1 37 ? 2.437 10.281 -1.400 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 7 -ATOM 10184 H HA . LEU A 1 37 ? 4.956 9.236 -1.922 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 7 -ATOM 10185 H HB2 . LEU A 1 37 ? 3.347 11.194 -3.518 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 7 -ATOM 10186 H HB3 . LEU A 1 37 ? 4.860 10.526 -4.089 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 7 -ATOM 10187 H HG . LEU A 1 37 ? 2.390 8.925 -3.427 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 7 -ATOM 10188 H HD11 . LEU A 1 37 ? 3.618 9.644 -6.091 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 7 -ATOM 10189 H HD12 . LEU A 1 37 ? 2.131 10.316 -5.428 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 7 -ATOM 10190 H HD13 . LEU A 1 37 ? 2.212 8.606 -5.836 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 7 -ATOM 10191 H HD21 . LEU A 1 37 ? 3.635 7.073 -4.480 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 7 -ATOM 10192 H HD22 . LEU A 1 37 ? 4.433 7.652 -3.031 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 7 -ATOM 10193 H HD23 . LEU A 1 37 ? 5.047 8.115 -4.619 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 7 -ATOM 10194 N N . GLU A 1 38 ? 5.232 12.330 -1.077 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 7 -ATOM 10195 C CA . GLU A 1 38 ? 6.241 13.329 -0.784 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 7 -ATOM 10196 C C . GLU A 1 38 ? 7.039 12.989 0.496 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 7 -ATOM 10197 O O . GLU A 1 38 ? 8.070 13.617 0.790 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 7 -ATOM 10198 C CB . GLU A 1 38 ? 5.647 14.753 -0.822 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 7 -ATOM 10199 C CG . GLU A 1 38 ? 4.492 15.030 0.126 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 7 -ATOM 10200 C CD . GLU A 1 38 ? 4.928 15.487 1.483 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 7 -ATOM 10201 O OE1 . GLU A 1 38 ? 5.260 16.670 1.629 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 7 -ATOM 10202 O OE2 . GLU A 1 38 ? 4.909 14.700 2.422 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 7 -ATOM 10203 H H . GLU A 1 38 ? 4.310 12.455 -0.759 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 7 -ATOM 10204 H HA . GLU A 1 38 ? 6.953 13.233 -1.592 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 7 -ATOM 10205 H HB2 . GLU A 1 38 ? 6.431 15.455 -0.580 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 7 -ATOM 10206 H HB3 . GLU A 1 38 ? 5.311 14.953 -1.830 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 7 -ATOM 10207 H HG2 . GLU A 1 38 ? 3.843 15.780 -0.296 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 7 -ATOM 10208 H HG3 . GLU A 1 38 ? 3.939 14.108 0.256 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 7 -ATOM 10209 N N . SER A 1 39 ? 6.577 11.966 1.211 1.00 0.00 ? ? ? ? ? ? 36 SER A N 7 -ATOM 10210 C CA . SER A 1 39 ? 7.240 11.433 2.400 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 7 -ATOM 10211 C C . SER A 1 39 ? 6.767 9.979 2.684 1.00 0.00 ? ? ? ? ? ? 36 SER A C 7 -ATOM 10212 O O . SER A 1 39 ? 6.183 9.703 3.703 1.00 0.00 ? ? ? ? ? ? 36 SER A O 7 -ATOM 10213 C CB . SER A 1 39 ? 6.999 12.357 3.614 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 7 -ATOM 10214 O OG . SER A 1 39 ? 5.611 12.636 3.788 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 7 -ATOM 10215 H H . SER A 1 39 ? 5.745 11.519 0.941 1.00 0.00 ? ? ? ? ? ? 36 SER A H 7 -ATOM 10216 H HA . SER A 1 39 ? 8.297 11.379 2.195 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 7 -ATOM 10217 H HB2 . SER A 1 39 ? 7.368 11.876 4.508 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 7 -ATOM 10218 H HB3 . SER A 1 39 ? 7.524 13.289 3.464 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 7 -ATOM 10219 H HG . SER A 1 39 ? 5.414 13.389 3.203 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 7 -ATOM 10220 N N . PRO A 1 40 ? 7.014 9.010 1.758 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 7 -ATOM 10221 C CA . PRO A 1 40 ? 6.460 7.655 1.889 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 7 -ATOM 10222 C C . PRO A 1 40 ? 7.157 6.809 2.936 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 7 -ATOM 10223 O O . PRO A 1 40 ? 6.595 5.839 3.443 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 7 -ATOM 10224 C CB . PRO A 1 40 ? 6.648 7.061 0.502 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 7 -ATOM 10225 C CG . PRO A 1 40 ? 7.835 7.764 -0.040 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 7 -ATOM 10226 C CD . PRO A 1 40 ? 7.795 9.164 0.518 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 7 -ATOM 10227 H HA . PRO A 1 40 ? 5.407 7.686 2.121 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 7 -ATOM 10228 H HB2 . PRO A 1 40 ? 6.819 5.997 0.586 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 7 -ATOM 10229 H HB3 . PRO A 1 40 ? 5.771 7.245 -0.100 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 7 -ATOM 10230 H HG2 . PRO A 1 40 ? 8.735 7.258 0.280 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 7 -ATOM 10231 H HG3 . PRO A 1 40 ? 7.787 7.789 -1.118 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 7 -ATOM 10232 H HD2 . PRO A 1 40 ? 8.791 9.523 0.728 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 7 -ATOM 10233 H HD3 . PRO A 1 40 ? 7.286 9.827 -0.168 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 7 -ATOM 10234 N N . ARG A 1 41 ? 8.358 7.182 3.278 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 7 -ATOM 10235 C CA . ARG A 1 41 ? 9.128 6.438 4.230 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 7 -ATOM 10236 C C . ARG A 1 41 ? 8.908 6.898 5.681 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 7 -ATOM 10237 O O . ARG A 1 41 ? 9.837 7.209 6.413 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 7 -ATOM 10238 C CB . ARG A 1 41 ? 10.611 6.293 3.787 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 7 -ATOM 10239 C CG . ARG A 1 41 ? 11.255 7.544 3.157 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 7 -ATOM 10240 C CD . ARG A 1 41 ? 11.546 8.640 4.157 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 7 -ATOM 10241 N NE . ARG A 1 41 ? 12.514 8.216 5.168 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 7 -ATOM 10242 C CZ . ARG A 1 41 ? 12.917 8.953 6.201 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 7 -ATOM 10243 N NH1 . ARG A 1 41 ? 12.475 10.201 6.352 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 7 -ATOM 10244 N NH2 . ARG A 1 41 ? 13.762 8.445 7.070 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 7 -ATOM 10245 H H . ARG A 1 41 ? 8.715 8.004 2.880 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 7 -ATOM 10246 H HA . ARG A 1 41 ? 8.682 5.454 4.195 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 7 -ATOM 10247 H HB2 . ARG A 1 41 ? 11.195 6.028 4.656 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 7 -ATOM 10248 H HB3 . ARG A 1 41 ? 10.677 5.483 3.074 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 7 -ATOM 10249 H HG2 . ARG A 1 41 ? 12.174 7.259 2.670 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 7 -ATOM 10250 H HG3 . ARG A 1 41 ? 10.579 7.925 2.405 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 7 -ATOM 10251 H HD2 . ARG A 1 41 ? 11.942 9.498 3.634 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 7 -ATOM 10252 H HD3 . ARG A 1 41 ? 10.622 8.907 4.651 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 7 -ATOM 10253 H HE . ARG A 1 41 ? 12.874 7.305 5.058 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 7 -ATOM 10254 H HH11 . ARG A 1 41 ? 11.838 10.613 5.696 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 7 -ATOM 10255 H HH12 . ARG A 1 41 ? 12.765 10.781 7.119 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 7 -ATOM 10256 H HH21 . ARG A 1 41 ? 14.122 7.513 6.978 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 7 -ATOM 10257 H HH22 . ARG A 1 41 ? 14.099 8.954 7.866 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 7 -ATOM 10258 N N . ILE A 1 42 ? 7.646 6.901 6.074 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 7 -ATOM 10259 C CA . ILE A 1 42 ? 7.217 7.270 7.416 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 7 -ATOM 10260 C C . ILE A 1 42 ? 7.362 6.057 8.327 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 7 -ATOM 10261 O O . ILE A 1 42 ? 6.614 5.083 8.190 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 7 -ATOM 10262 C CB . ILE A 1 42 ? 5.732 7.754 7.403 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 7 -ATOM 10263 C CG1 . ILE A 1 42 ? 5.610 8.999 6.532 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 7 -ATOM 10264 C CG2 . ILE A 1 42 ? 5.222 8.040 8.815 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 7 -ATOM 10265 C CD1 . ILE A 1 42 ? 4.195 9.475 6.284 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 7 -ATOM 10266 H H . ILE A 1 42 ? 6.970 6.621 5.419 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 7 -ATOM 10267 H HA . ILE A 1 42 ? 7.850 8.073 7.761 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 7 -ATOM 10268 H HB . ILE A 1 42 ? 5.123 6.973 6.973 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 7 -ATOM 10269 H HG12 . ILE A 1 42 ? 6.145 9.808 7.007 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 7 -ATOM 10270 H HG13 . ILE A 1 42 ? 6.067 8.796 5.574 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 7 -ATOM 10271 H HG21 . ILE A 1 42 ? 5.318 7.151 9.420 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 7 -ATOM 10272 H HG22 . ILE A 1 42 ? 4.184 8.332 8.765 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 7 -ATOM 10273 H HG23 . ILE A 1 42 ? 5.799 8.843 9.247 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 7 -ATOM 10274 H HD11 . ILE A 1 42 ? 3.723 9.757 7.214 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 7 -ATOM 10275 H HD12 . ILE A 1 42 ? 3.632 8.686 5.810 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 7 -ATOM 10276 H HD13 . ILE A 1 42 ? 4.237 10.326 5.620 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 7 -ATOM 10277 N N . GLU A 1 43 ? 8.305 6.117 9.251 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 7 -ATOM 10278 C CA . GLU A 1 43 ? 8.619 4.979 10.116 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 7 -ATOM 10279 C C . GLU A 1 43 ? 7.431 4.546 10.981 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 7 -ATOM 10280 O O . GLU A 1 43 ? 7.323 3.376 11.341 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 7 -ATOM 10281 C CB . GLU A 1 43 ? 9.865 5.237 10.971 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 7 -ATOM 10282 C CG . GLU A 1 43 ? 9.747 6.413 11.910 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 7 -ATOM 10283 C CD . GLU A 1 43 ? 10.965 6.605 12.755 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 7 -ATOM 10284 O OE1 . GLU A 1 43 ? 11.897 7.324 12.317 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 7 -ATOM 10285 O OE2 . GLU A 1 43 ? 11.019 6.061 13.880 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 7 -ATOM 10286 H H . GLU A 1 43 ? 8.802 6.959 9.358 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 7 -ATOM 10287 H HA . GLU A 1 43 ? 8.835 4.157 9.449 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 7 -ATOM 10288 H HB2 . GLU A 1 43 ? 10.073 4.357 11.562 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 7 -ATOM 10289 H HB3 . GLU A 1 43 ? 10.701 5.412 10.310 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 7 -ATOM 10290 H HG2 . GLU A 1 43 ? 9.591 7.309 11.327 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 7 -ATOM 10291 H HG3 . GLU A 1 43 ? 8.897 6.249 12.555 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 7 -ATOM 10292 N N . ALA A 1 44 ? 6.535 5.476 11.286 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 7 -ATOM 10293 C CA . ALA A 1 44 ? 5.340 5.171 12.070 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 7 -ATOM 10294 C C . ALA A 1 44 ? 4.412 4.216 11.311 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 7 -ATOM 10295 O O . ALA A 1 44 ? 3.699 3.412 11.911 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 7 -ATOM 10296 C CB . ALA A 1 44 ? 4.594 6.451 12.426 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 7 -ATOM 10297 H H . ALA A 1 44 ? 6.704 6.401 10.999 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 7 -ATOM 10298 H HA . ALA A 1 44 ? 5.657 4.694 12.985 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 7 -ATOM 10299 H HB1 . ALA A 1 44 ? 3.748 6.209 13.051 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 7 -ATOM 10300 H HB2 . ALA A 1 44 ? 4.245 6.928 11.522 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 7 -ATOM 10301 H HB3 . ALA A 1 44 ? 5.254 7.122 12.955 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 7 -ATOM 10302 N N . ASN A 1 45 ? 4.474 4.266 9.991 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 7 -ATOM 10303 C CA . ASN A 1 45 ? 3.604 3.444 9.150 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 7 -ATOM 10304 C C . ASN A 1 45 ? 4.248 2.122 8.790 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 7 -ATOM 10305 O O . ASN A 1 45 ? 3.637 1.304 8.115 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 7 -ATOM 10306 C CB . ASN A 1 45 ? 3.172 4.176 7.867 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 7 -ATOM 10307 C CG . ASN A 1 45 ? 2.207 5.326 8.107 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 7 -ATOM 10308 O OD1 . ASN A 1 45 ? 1.420 5.325 9.061 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 7 -ATOM 10309 N ND2 . ASN A 1 45 ? 2.231 6.299 7.231 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 7 -ATOM 10310 H H . ASN A 1 45 ? 5.134 4.850 9.560 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 7 -ATOM 10311 H HA . ASN A 1 45 ? 2.719 3.233 9.733 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 7 -ATOM 10312 H HB2 . ASN A 1 45 ? 4.049 4.575 7.381 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 7 -ATOM 10313 H HB3 . ASN A 1 45 ? 2.699 3.464 7.206 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 7 -ATOM 10314 H HD21 . ASN A 1 45 ? 2.858 6.236 6.481 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 7 -ATOM 10315 H HD22 . ASN A 1 45 ? 1.612 7.053 7.343 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 7 -ATOM 10316 N N . LYS A 1 46 ? 5.474 1.911 9.242 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 7 -ATOM 10317 C CA . LYS A 1 46 ? 6.193 0.666 8.974 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 7 -ATOM 10318 C C . LYS A 1 46 ? 5.515 -0.529 9.570 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 7 -ATOM 10319 O O . LYS A 1 46 ? 4.872 -0.444 10.623 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 7 -ATOM 10320 C CB . LYS A 1 46 ? 7.615 0.691 9.507 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 7 -ATOM 10321 C CG . LYS A 1 46 ? 8.628 1.382 8.640 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 7 -ATOM 10322 C CD . LYS A 1 46 ? 10.041 1.348 9.246 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 7 -ATOM 10323 C CE . LYS A 1 46 ? 10.701 -0.059 9.294 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 7 -ATOM 10324 N NZ . LYS A 1 46 ? 10.027 -1.048 10.201 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 7 -ATOM 10325 H H . LYS A 1 46 ? 5.895 2.605 9.792 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 7 -ATOM 10326 H HA . LYS A 1 46 ? 6.245 0.538 7.903 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 7 -ATOM 10327 H HB2 . LYS A 1 46 ? 7.610 1.197 10.461 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 7 -ATOM 10328 H HB3 . LYS A 1 46 ? 7.931 -0.329 9.661 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 7 -ATOM 10329 H HG2 . LYS A 1 46 ? 8.653 0.883 7.683 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 7 -ATOM 10330 H HG3 . LYS A 1 46 ? 8.327 2.409 8.498 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 7 -ATOM 10331 H HD2 . LYS A 1 46 ? 10.669 1.971 8.629 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 7 -ATOM 10332 H HD3 . LYS A 1 46 ? 9.996 1.754 10.245 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 7 -ATOM 10333 H HE2 . LYS A 1 46 ? 10.704 -0.465 8.295 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 7 -ATOM 10334 H HE3 . LYS A 1 46 ? 11.725 0.064 9.614 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 7 -ATOM 10335 H HZ1 . LYS A 1 46 ? 9.814 -0.650 11.136 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 7 -ATOM 10336 H HZ2 . LYS A 1 46 ? 10.685 -1.836 10.370 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 7 -ATOM 10337 H HZ3 . LYS A 1 46 ? 9.173 -1.474 9.790 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 7 -ATOM 10338 N N . LEU A 1 47 ? 5.630 -1.627 8.890 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 7 -ATOM 10339 C CA . LEU A 1 47 ? 5.182 -2.873 9.413 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 7 -ATOM 10340 C C . LEU A 1 47 ? 6.237 -3.439 10.343 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 7 -ATOM 10341 O O . LEU A 1 47 ? 7.356 -2.902 10.433 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 7 -ATOM 10342 C CB . LEU A 1 47 ? 4.801 -3.848 8.299 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 7 -ATOM 10343 C CG . LEU A 1 47 ? 3.544 -3.473 7.513 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 7 -ATOM 10344 C CD1 . LEU A 1 47 ? 3.234 -4.499 6.464 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 7 -ATOM 10345 C CD2 . LEU A 1 47 ? 2.363 -3.339 8.440 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 7 -ATOM 10346 H H . LEU A 1 47 ? 6.037 -1.593 7.996 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 7 -ATOM 10347 H HA . LEU A 1 47 ? 4.310 -2.667 10.017 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 7 -ATOM 10348 H HB2 . LEU A 1 47 ? 5.628 -3.894 7.606 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 7 -ATOM 10349 H HB3 . LEU A 1 47 ? 4.656 -4.827 8.727 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 7 -ATOM 10350 H HG . LEU A 1 47 ? 3.692 -2.521 7.027 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 7 -ATOM 10351 H HD11 . LEU A 1 47 ? 2.336 -4.185 5.953 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 7 -ATOM 10352 H HD12 . LEU A 1 47 ? 3.062 -5.449 6.946 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 7 -ATOM 10353 H HD13 . LEU A 1 47 ? 4.050 -4.570 5.762 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 7 -ATOM 10354 H HD21 . LEU A 1 47 ? 1.481 -3.147 7.848 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 7 -ATOM 10355 H HD22 . LEU A 1 47 ? 2.528 -2.509 9.110 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 7 -ATOM 10356 H HD23 . LEU A 1 47 ? 2.234 -4.253 9.001 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 7 -ATOM 10357 N N . ARG A 1 48 ? 5.906 -4.508 11.005 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 7 -ATOM 10358 C CA . ARG A 1 48 ? 6.740 -5.055 12.030 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 7 -ATOM 10359 C C . ARG A 1 48 ? 7.794 -5.993 11.443 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 7 -ATOM 10360 O O . ARG A 1 48 ? 8.990 -5.798 11.653 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 7 -ATOM 10361 C CB . ARG A 1 48 ? 5.867 -5.790 13.047 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 7 -ATOM 10362 C CG . ARG A 1 48 ? 4.704 -4.951 13.587 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 7 -ATOM 10363 C CD . ARG A 1 48 ? 5.172 -3.733 14.375 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 7 -ATOM 10364 N NE . ARG A 1 48 ? 5.814 -4.102 15.639 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 7 -ATOM 10365 C CZ . ARG A 1 48 ? 6.666 -3.323 16.329 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 7 -ATOM 10366 N NH1 . ARG A 1 48 ? 7.052 -2.143 15.847 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 7 -ATOM 10367 N NH2 . ARG A 1 48 ? 7.116 -3.726 17.500 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 7 -ATOM 10368 H H . ARG A 1 48 ? 5.073 -4.982 10.797 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 7 -ATOM 10369 H HA . ARG A 1 48 ? 7.237 -4.241 12.535 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 7 -ATOM 10370 H HB2 . ARG A 1 48 ? 5.464 -6.679 12.584 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 7 -ATOM 10371 H HB3 . ARG A 1 48 ? 6.488 -6.079 13.877 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 7 -ATOM 10372 H HG2 . ARG A 1 48 ? 4.108 -4.610 12.753 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 7 -ATOM 10373 H HG3 . ARG A 1 48 ? 4.098 -5.576 14.225 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 7 -ATOM 10374 H HD2 . ARG A 1 48 ? 5.873 -3.172 13.778 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 7 -ATOM 10375 H HD3 . ARG A 1 48 ? 4.316 -3.112 14.594 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 7 -ATOM 10376 H HE . ARG A 1 48 ? 5.548 -4.981 15.994 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 7 -ATOM 10377 H HH11 . ARG A 1 48 ? 6.716 -1.798 14.967 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 7 -ATOM 10378 H HH12 . ARG A 1 48 ? 7.699 -1.552 16.335 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 7 -ATOM 10379 H HH21 . ARG A 1 48 ? 6.829 -4.604 17.890 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 7 -ATOM 10380 H HH22 . ARG A 1 48 ? 7.768 -3.185 18.038 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 7 -ATOM 10381 N N . GLY A 1 49 ? 7.362 -6.981 10.696 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 7 -ATOM 10382 C CA . GLY A 1 49 ? 8.296 -7.948 10.150 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 7 -ATOM 10383 C C . GLY A 1 49 ? 8.148 -8.107 8.666 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 7 -ATOM 10384 O O . GLY A 1 49 ? 7.981 -9.220 8.165 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 7 -ATOM 10385 H H . GLY A 1 49 ? 6.403 -7.067 10.508 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 7 -ATOM 10386 H HA2 . GLY A 1 49 ? 9.302 -7.620 10.370 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 7 -ATOM 10387 H HA3 . GLY A 1 49 ? 8.128 -8.904 10.624 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 7 -ATOM 10388 N N . MET A 1 50 ? 8.189 -7.004 7.962 1.00 0.00 ? ? ? ? ? ? 47 MET A N 7 -ATOM 10389 C CA . MET A 1 50 ? 8.046 -7.001 6.518 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 7 -ATOM 10390 C C . MET A 1 50 ? 9.087 -6.080 5.931 1.00 0.00 ? ? ? ? ? ? 47 MET A C 7 -ATOM 10391 O O . MET A 1 50 ? 9.243 -4.953 6.417 1.00 0.00 ? ? ? ? ? ? 47 MET A O 7 -ATOM 10392 C CB . MET A 1 50 ? 6.659 -6.510 6.110 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 7 -ATOM 10393 C CG . MET A 1 50 ? 5.500 -7.400 6.560 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 7 -ATOM 10394 S SD . MET A 1 50 ? 5.508 -9.034 5.781 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 7 -ATOM 10395 C CE . MET A 1 50 ? 5.178 -8.607 4.073 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 7 -ATOM 10396 H H . MET A 1 50 ? 8.354 -6.152 8.418 1.00 0.00 ? ? ? ? ? ? 47 MET A H 7 -ATOM 10397 H HA . MET A 1 50 ? 8.192 -8.009 6.161 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 7 -ATOM 10398 H HB2 . MET A 1 50 ? 6.546 -5.521 6.528 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 7 -ATOM 10399 H HB3 . MET A 1 50 ? 6.635 -6.423 5.034 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 7 -ATOM 10400 H HG2 . MET A 1 50 ? 5.562 -7.532 7.630 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 7 -ATOM 10401 H HG3 . MET A 1 50 ? 4.571 -6.904 6.317 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 7 -ATOM 10402 H HE1 . MET A 1 50 ? 5.148 -9.510 3.482 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 7 -ATOM 10403 H HE2 . MET A 1 50 ? 5.947 -7.950 3.698 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 7 -ATOM 10404 H HE3 . MET A 1 50 ? 4.216 -8.118 4.016 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 7 -ATOM 10405 N N . PRO A 1 51 ? 9.812 -6.527 4.898 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 7 -ATOM 10406 C CA . PRO A 1 51 ? 10.883 -5.741 4.277 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 7 -ATOM 10407 C C . PRO A 1 51 ? 10.384 -4.445 3.622 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 7 -ATOM 10408 O O . PRO A 1 51 ? 9.746 -4.473 2.556 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 7 -ATOM 10409 C CB . PRO A 1 51 ? 11.484 -6.688 3.225 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 7 -ATOM 10410 C CG . PRO A 1 51 ? 10.415 -7.695 2.962 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 7 -ATOM 10411 C CD . PRO A 1 51 ? 9.659 -7.847 4.250 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 7 -ATOM 10412 H HA . PRO A 1 51 ? 11.635 -5.494 5.010 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 7 -ATOM 10413 H HB2 . PRO A 1 51 ? 11.730 -6.126 2.336 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 7 -ATOM 10414 H HB3 . PRO A 1 51 ? 12.375 -7.154 3.622 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 7 -ATOM 10415 H HG2 . PRO A 1 51 ? 9.760 -7.336 2.182 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 7 -ATOM 10416 H HG3 . PRO A 1 51 ? 10.858 -8.637 2.673 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 7 -ATOM 10417 H HD2 . PRO A 1 51 ? 8.621 -8.063 4.050 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 7 -ATOM 10418 H HD3 . PRO A 1 51 ? 10.097 -8.625 4.857 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 7 -ATOM 10419 N N . ASP A 1 52 ? 10.607 -3.330 4.330 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 7 -ATOM 10420 C CA . ASP A 1 52 ? 10.298 -1.960 3.853 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 7 -ATOM 10421 C C . ASP A 1 52 ? 8.850 -1.796 3.526 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 7 -ATOM 10422 O O . ASP A 1 52 ? 8.485 -1.038 2.621 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 7 -ATOM 10423 C CB . ASP A 1 52 ? 11.157 -1.555 2.637 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 7 -ATOM 10424 C CG . ASP A 1 52 ? 12.587 -1.260 2.994 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 7 -ATOM 10425 O OD1 . ASP A 1 52 ? 13.383 -2.205 3.094 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 7 -ATOM 10426 O OD2 . ASP A 1 52 ? 12.931 -0.073 3.185 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 7 -ATOM 10427 H H . ASP A 1 52 ? 10.983 -3.457 5.226 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 7 -ATOM 10428 H HA . ASP A 1 52 ? 10.526 -1.286 4.666 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 7 -ATOM 10429 H HB2 . ASP A 1 52 ? 11.148 -2.359 1.917 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 7 -ATOM 10430 H HB3 . ASP A 1 52 ? 10.725 -0.675 2.185 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 7 -ATOM 10431 N N . CYS A 1 53 ? 8.008 -2.447 4.282 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 7 -ATOM 10432 C CA . CYS A 1 53 ? 6.622 -2.354 4.013 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 7 -ATOM 10433 C C . CYS A 1 53 ? 5.992 -1.397 4.985 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 7 -ATOM 10434 O O . CYS A 1 53 ? 6.349 -1.361 6.176 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 7 -ATOM 10435 C CB . CYS A 1 53 ? 5.969 -3.724 4.069 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 7 -ATOM 10436 S SG . CYS A 1 53 ? 6.696 -4.940 2.936 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 7 -ATOM 10437 H H . CYS A 1 53 ? 8.318 -2.950 5.062 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 7 -ATOM 10438 H HA . CYS A 1 53 ? 6.504 -1.950 3.019 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 7 -ATOM 10439 H HB2 . CYS A 1 53 ? 6.063 -4.111 5.072 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 7 -ATOM 10440 H HB3 . CYS A 1 53 ? 4.922 -3.625 3.822 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 7 -ATOM 10441 H HG . CYS A 1 53 ? 7.919 -4.525 2.617 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 7 -ATOM 10442 N N . TYR A 1 54 ? 5.080 -0.637 4.488 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 7 -ATOM 10443 C CA . TYR A 1 54 ? 4.404 0.374 5.226 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 7 -ATOM 10444 C C . TYR A 1 54 ? 2.932 0.202 4.966 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 7 -ATOM 10445 O O . TYR A 1 54 ? 2.543 -0.347 3.919 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 7 -ATOM 10446 C CB . TYR A 1 54 ? 4.842 1.779 4.753 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 7 -ATOM 10447 C CG . TYR A 1 54 ? 6.329 2.123 4.900 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 7 -ATOM 10448 C CD1 . TYR A 1 54 ? 7.298 1.522 4.104 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 7 -ATOM 10449 C CD2 . TYR A 1 54 ? 6.747 3.067 5.812 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 7 -ATOM 10450 C CE1 . TYR A 1 54 ? 8.637 1.849 4.223 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 7 -ATOM 10451 C CE2 . TYR A 1 54 ? 8.084 3.399 5.937 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 7 -ATOM 10452 C CZ . TYR A 1 54 ? 9.023 2.785 5.142 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 7 -ATOM 10453 O OH . TYR A 1 54 ? 10.364 3.127 5.266 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 7 -ATOM 10454 H H . TYR A 1 54 ? 4.814 -0.761 3.547 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 7 -ATOM 10455 H HA . TYR A 1 54 ? 4.617 0.261 6.277 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 7 -ATOM 10456 H HB2 . TYR A 1 54 ? 4.600 1.867 3.705 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 7 -ATOM 10457 H HB3 . TYR A 1 54 ? 4.272 2.517 5.299 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 7 -ATOM 10458 H HD1 . TYR A 1 54 ? 6.994 0.778 3.382 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 7 -ATOM 10459 H HD2 . TYR A 1 54 ? 6.015 3.552 6.439 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 7 -ATOM 10460 H HE1 . TYR A 1 54 ? 9.371 1.368 3.593 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 7 -ATOM 10461 H HE2 . TYR A 1 54 ? 8.385 4.139 6.663 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 7 -ATOM 10462 H HH . TYR A 1 54 ? 10.758 3.092 4.382 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 7 -ATOM 10463 N N . LYS A 1 55 ? 2.129 0.625 5.883 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 7 -ATOM 10464 C CA . LYS A 1 55 ? 0.708 0.509 5.753 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 7 -ATOM 10465 C C . LYS A 1 55 ? 0.027 1.849 5.951 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 7 -ATOM 10466 O O . LYS A 1 55 ? 0.421 2.652 6.804 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 7 -ATOM 10467 C CB . LYS A 1 55 ? 0.150 -0.489 6.778 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 7 -ATOM 10468 C CG . LYS A 1 55 ? 0.570 -0.165 8.202 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 7 -ATOM 10469 C CD . LYS A 1 55 ? -0.168 -0.979 9.238 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 7 -ATOM 10470 C CE . LYS A 1 55 ? 0.407 -0.686 10.605 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 7 -ATOM 10471 N NZ . LYS A 1 55 ? -0.391 -1.256 11.701 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 7 -ATOM 10472 H H . LYS A 1 55 ? 2.500 1.042 6.694 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 7 -ATOM 10473 H HA . LYS A 1 55 ? 0.483 0.135 4.766 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 7 -ATOM 10474 H HB2 . LYS A 1 55 ? -0.929 -0.475 6.725 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 7 -ATOM 10475 H HB3 . LYS A 1 55 ? 0.509 -1.478 6.534 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 7 -ATOM 10476 H HG2 . LYS A 1 55 ? 1.628 -0.363 8.301 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 7 -ATOM 10477 H HG3 . LYS A 1 55 ? 0.389 0.885 8.380 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 7 -ATOM 10478 H HD2 . LYS A 1 55 ? -1.213 -0.706 9.223 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 7 -ATOM 10479 H HD3 . LYS A 1 55 ? -0.055 -2.031 9.022 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 7 -ATOM 10480 H HE2 . LYS A 1 55 ? 1.398 -1.110 10.648 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 7 -ATOM 10481 H HE3 . LYS A 1 55 ? 0.480 0.382 10.714 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 7 -ATOM 10482 H HZ1 . LYS A 1 55 ? -1.366 -0.893 11.673 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 7 -ATOM 10483 H HZ2 . LYS A 1 55 ? 0.017 -0.965 12.612 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 7 -ATOM 10484 H HZ3 . LYS A 1 55 ? -0.421 -2.295 11.667 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 7 -ATOM 10485 N N . ILE A 1 56 ? -0.966 2.089 5.161 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 7 -ATOM 10486 C CA . ILE A 1 56 ? -1.817 3.220 5.350 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 7 -ATOM 10487 C C . ILE A 1 56 ? -3.149 2.703 5.792 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 7 -ATOM 10488 O O . ILE A 1 56 ? -3.695 1.793 5.179 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 7 -ATOM 10489 C CB . ILE A 1 56 ? -1.961 4.121 4.091 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 7 -ATOM 10490 C CG1 . ILE A 1 56 ? -0.605 4.757 3.745 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 7 -ATOM 10491 C CG2 . ILE A 1 56 ? -3.036 5.204 4.306 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 7 -ATOM 10492 C CD1 . ILE A 1 56 ? -0.640 5.693 2.557 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 7 -ATOM 10493 H H . ILE A 1 56 ? -1.135 1.465 4.420 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 7 -ATOM 10494 H HA . ILE A 1 56 ? -1.389 3.787 6.160 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 7 -ATOM 10495 H HB . ILE A 1 56 ? -2.273 3.496 3.267 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 7 -ATOM 10496 H HG12 . ILE A 1 56 ? -0.256 5.323 4.596 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 7 -ATOM 10497 H HG13 . ILE A 1 56 ? 0.107 3.972 3.533 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 7 -ATOM 10498 H HG21 . ILE A 1 56 ? -3.137 5.796 3.410 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 7 -ATOM 10499 H HG22 . ILE A 1 56 ? -2.760 5.859 5.121 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 7 -ATOM 10500 H HG23 . ILE A 1 56 ? -3.985 4.739 4.532 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 7 -ATOM 10501 H HD11 . ILE A 1 56 ? -1.015 5.162 1.696 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 7 -ATOM 10502 H HD12 . ILE A 1 56 ? 0.359 6.051 2.356 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 7 -ATOM 10503 H HD13 . ILE A 1 56 ? -1.284 6.529 2.780 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 7 -ATOM 10504 N N . LYS A 1 57 ? -3.648 3.243 6.845 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 7 -ATOM 10505 C CA . LYS A 1 57 ? -4.874 2.785 7.406 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 7 -ATOM 10506 C C . LYS A 1 57 ? -5.930 3.834 7.194 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 7 -ATOM 10507 O O . LYS A 1 57 ? -5.684 5.033 7.396 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 7 -ATOM 10508 C CB . LYS A 1 57 ? -4.750 2.411 8.922 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 7 -ATOM 10509 C CG . LYS A 1 57 ? -4.343 3.552 9.864 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 7 -ATOM 10510 C CD . LYS A 1 57 ? -2.856 3.869 9.806 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 7 -ATOM 10511 C CE . LYS A 1 57 ? -2.576 5.207 10.437 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 7 -ATOM 10512 N NZ . LYS A 1 57 ? -1.153 5.590 10.335 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 7 -ATOM 10513 H H . LYS A 1 57 ? -3.212 4.038 7.211 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 7 -ATOM 10514 H HA . LYS A 1 57 ? -5.155 1.897 6.859 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 7 -ATOM 10515 H HB2 . LYS A 1 57 ? -5.704 2.034 9.260 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 7 -ATOM 10516 H HB3 . LYS A 1 57 ? -4.023 1.618 9.018 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 7 -ATOM 10517 H HG2 . LYS A 1 57 ? -4.894 4.438 9.588 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 7 -ATOM 10518 H HG3 . LYS A 1 57 ? -4.607 3.275 10.875 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 7 -ATOM 10519 H HD2 . LYS A 1 57 ? -2.339 3.111 10.375 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 7 -ATOM 10520 H HD3 . LYS A 1 57 ? -2.471 3.855 8.801 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 7 -ATOM 10521 H HE2 . LYS A 1 57 ? -3.181 5.929 9.908 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 7 -ATOM 10522 H HE3 . LYS A 1 57 ? -2.877 5.170 11.473 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 7 -ATOM 10523 H HZ1 . LYS A 1 57 ? -0.827 5.579 9.348 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 7 -ATOM 10524 H HZ2 . LYS A 1 57 ? -0.538 4.957 10.884 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 7 -ATOM 10525 H HZ3 . LYS A 1 57 ? -1.031 6.560 10.688 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 7 -ATOM 10526 N N . LEU A 1 58 ? -7.072 3.418 6.749 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 7 -ATOM 10527 C CA . LEU A 1 58 ? -8.153 4.321 6.574 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 7 -ATOM 10528 C C . LEU A 1 58 ? -8.856 4.363 7.913 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 7 -ATOM 10529 O O . LEU A 1 58 ? -9.650 3.467 8.247 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 7 -ATOM 10530 C CB . LEU A 1 58 ? -9.085 3.860 5.445 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 7 -ATOM 10531 C CG . LEU A 1 58 ? -9.795 4.969 4.638 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 7 -ATOM 10532 C CD1 . LEU A 1 58 ? -10.630 4.372 3.543 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 7 -ATOM 10533 C CD2 . LEU A 1 58 ? -10.651 5.864 5.512 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 7 -ATOM 10534 H H . LEU A 1 58 ? -7.187 2.458 6.563 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 7 -ATOM 10535 H HA . LEU A 1 58 ? -7.743 5.298 6.359 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 7 -ATOM 10536 H HB2 . LEU A 1 58 ? -8.503 3.265 4.757 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 7 -ATOM 10537 H HB3 . LEU A 1 58 ? -9.842 3.226 5.884 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 7 -ATOM 10538 H HG . LEU A 1 58 ? -9.039 5.578 4.164 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 7 -ATOM 10539 H HD11 . LEU A 1 58 ? -9.998 3.807 2.874 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 7 -ATOM 10540 H HD12 . LEU A 1 58 ? -11.122 5.165 2.999 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 7 -ATOM 10541 H HD13 . LEU A 1 58 ? -11.374 3.718 3.975 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 7 -ATOM 10542 H HD21 . LEU A 1 58 ? -11.419 5.275 5.990 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 7 -ATOM 10543 H HD22 . LEU A 1 58 ? -11.105 6.628 4.898 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 7 -ATOM 10544 H HD23 . LEU A 1 58 ? -10.024 6.323 6.262 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 7 -ATOM 10545 N N . ARG A 1 59 ? -8.487 5.372 8.674 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 7 -ATOM 10546 C CA . ARG A 1 59 ? -8.859 5.592 10.071 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 7 -ATOM 10547 C C . ARG A 1 59 ? -10.347 5.358 10.364 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 7 -ATOM 10548 O O . ARG A 1 59 ? -10.691 4.752 11.373 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 7 -ATOM 10549 C CB . ARG A 1 59 ? -8.411 7.008 10.475 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 7 -ATOM 10550 C CG . ARG A 1 59 ? -8.642 7.398 11.922 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 7 -ATOM 10551 C CD . ARG A 1 59 ? -8.078 8.782 12.182 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 7 -ATOM 10552 N NE . ARG A 1 59 ? -8.284 9.240 13.562 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 7 -ATOM 10553 C CZ . ARG A 1 59 ? -7.630 10.268 14.128 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 7 -ATOM 10554 N NH1 . ARG A 1 59 ? -6.677 10.915 13.455 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 7 -ATOM 10555 N NH2 . ARG A 1 59 ? -7.929 10.638 15.362 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 7 -ATOM 10556 H H . ARG A 1 59 ? -7.889 6.028 8.257 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 7 -ATOM 10557 H HA . ARG A 1 59 ? -8.289 4.892 10.664 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 7 -ATOM 10558 H HB2 . ARG A 1 59 ? -7.352 7.097 10.282 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 7 -ATOM 10559 H HB3 . ARG A 1 59 ? -8.924 7.721 9.849 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 7 -ATOM 10560 H HG2 . ARG A 1 59 ? -9.702 7.401 12.124 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 7 -ATOM 10561 H HG3 . ARG A 1 59 ? -8.149 6.692 12.571 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 7 -ATOM 10562 H HD2 . ARG A 1 59 ? -7.019 8.767 11.979 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 7 -ATOM 10563 H HD3 . ARG A 1 59 ? -8.555 9.479 11.509 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 7 -ATOM 10564 H HE . ARG A 1 59 ? -8.963 8.749 14.085 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 7 -ATOM 10565 H HH11 . ARG A 1 59 ? -6.406 10.672 12.521 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 7 -ATOM 10566 H HH12 . ARG A 1 59 ? -6.191 11.692 13.865 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 7 -ATOM 10567 H HH21 . ARG A 1 59 ? -8.642 10.155 15.878 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 7 -ATOM 10568 H HH22 . ARG A 1 59 ? -7.479 11.405 15.829 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 7 -ATOM 10569 N N . SER A 1 60 ? -11.208 5.808 9.491 1.00 0.00 ? ? ? ? ? ? 57 SER A N 7 -ATOM 10570 C CA . SER A 1 60 ? -12.631 5.650 9.698 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 7 -ATOM 10571 C C . SER A 1 60 ? -13.148 4.251 9.268 1.00 0.00 ? ? ? ? ? ? 57 SER A C 7 -ATOM 10572 O O . SER A 1 60 ? -13.900 3.609 10.001 1.00 0.00 ? ? ? ? ? ? 57 SER A O 7 -ATOM 10573 C CB . SER A 1 60 ? -13.374 6.767 8.959 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 7 -ATOM 10574 O OG . SER A 1 60 ? -12.848 8.044 9.338 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 7 -ATOM 10575 H H . SER A 1 60 ? -10.874 6.288 8.702 1.00 0.00 ? ? ? ? ? ? 57 SER A H 7 -ATOM 10576 H HA . SER A 1 60 ? -12.818 5.764 10.755 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 7 -ATOM 10577 H HB2 . SER A 1 60 ? -13.249 6.639 7.894 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 7 -ATOM 10578 H HB3 . SER A 1 60 ? -14.424 6.735 9.210 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 7 -ATOM 10579 H HG . SER A 1 60 ? -12.382 7.893 10.170 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 7 -ATOM 10580 N N . SER A 1 61 ? -12.712 3.777 8.118 1.00 0.00 ? ? ? ? ? ? 58 SER A N 7 -ATOM 10581 C CA . SER A 1 61 ? -13.235 2.545 7.553 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 7 -ATOM 10582 C C . SER A 1 61 ? -12.665 1.277 8.232 1.00 0.00 ? ? ? ? ? ? 58 SER A C 7 -ATOM 10583 O O . SER A 1 61 ? -13.380 0.283 8.403 1.00 0.00 ? ? ? ? ? ? 58 SER A O 7 -ATOM 10584 C CB . SER A 1 61 ? -12.930 2.530 6.068 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 7 -ATOM 10585 O OG . SER A 1 61 ? -13.238 3.788 5.498 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 7 -ATOM 10586 H H . SER A 1 61 ? -12.031 4.262 7.608 1.00 0.00 ? ? ? ? ? ? 58 SER A H 7 -ATOM 10587 H HA . SER A 1 61 ? -14.309 2.554 7.672 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 7 -ATOM 10588 H HB2 . SER A 1 61 ? -11.882 2.318 5.916 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 7 -ATOM 10589 H HB3 . SER A 1 61 ? -13.530 1.773 5.585 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 7 -ATOM 10590 H HG . SER A 1 61 ? -14.180 3.840 5.292 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 7 -ATOM 10591 N N . GLY A 1 62 ? -11.406 1.314 8.620 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 7 -ATOM 10592 C CA . GLY A 1 62 ? -10.786 0.135 9.208 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 7 -ATOM 10593 C C . GLY A 1 62 ? -10.045 -0.678 8.164 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 7 -ATOM 10594 O O . GLY A 1 62 ? -9.694 -1.838 8.380 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 7 -ATOM 10595 H H . GLY A 1 62 ? -10.885 2.146 8.539 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 7 -ATOM 10596 H HA2 . GLY A 1 62 ? -10.093 0.445 9.976 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 7 -ATOM 10597 H HA3 . GLY A 1 62 ? -11.553 -0.483 9.649 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 7 -ATOM 10598 N N . TYR A 1 63 ? -9.828 -0.063 7.026 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 7 -ATOM 10599 C CA . TYR A 1 63 ? -9.113 -0.676 5.919 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 7 -ATOM 10600 C C . TYR A 1 63 ? -7.660 -0.279 5.974 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 7 -ATOM 10601 O O . TYR A 1 63 ? -7.317 0.715 6.605 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 7 -ATOM 10602 C CB . TYR A 1 63 ? -9.698 -0.219 4.577 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 7 -ATOM 10603 C CG . TYR A 1 63 ? -10.965 -0.926 4.151 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 7 -ATOM 10604 C CD1 . TYR A 1 63 ? -12.159 -0.773 4.841 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 7 -ATOM 10605 C CD2 . TYR A 1 63 ? -10.959 -1.738 3.029 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 7 -ATOM 10606 C CE1 . TYR A 1 63 ? -13.304 -1.419 4.427 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 7 -ATOM 10607 C CE2 . TYR A 1 63 ? -12.095 -2.383 2.608 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 7 -ATOM 10608 C CZ . TYR A 1 63 ? -13.263 -2.223 3.308 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 7 -ATOM 10609 O OH . TYR A 1 63 ? -14.393 -2.884 2.891 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 7 -ATOM 10610 H H . TYR A 1 63 ? -10.139 0.861 6.948 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 7 -ATOM 10611 H HA . TYR A 1 63 ? -9.212 -1.749 5.996 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 7 -ATOM 10612 H HB2 . TYR A 1 63 ? -9.924 0.836 4.640 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 7 -ATOM 10613 H HB3 . TYR A 1 63 ? -8.954 -0.368 3.809 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 7 -ATOM 10614 H HD1 . TYR A 1 63 ? -12.182 -0.143 5.718 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 7 -ATOM 10615 H HD2 . TYR A 1 63 ? -10.038 -1.863 2.480 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 7 -ATOM 10616 H HE1 . TYR A 1 63 ? -14.226 -1.290 4.975 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 7 -ATOM 10617 H HE2 . TYR A 1 63 ? -12.064 -3.014 1.732 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 7 -ATOM 10618 H HH . TYR A 1 63 ? -15.148 -2.287 3.000 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 7 -ATOM 10619 N N . ARG A 1 64 ? -6.811 -1.051 5.354 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 7 -ATOM 10620 C CA . ARG A 1 64 ? -5.414 -0.736 5.287 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 7 -ATOM 10621 C C . ARG A 1 64 ? -4.807 -1.153 3.970 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 7 -ATOM 10622 O O . ARG A 1 64 ? -5.232 -2.129 3.345 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 7 -ATOM 10623 C CB . ARG A 1 64 ? -4.568 -1.204 6.509 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 7 -ATOM 10624 C CG . ARG A 1 64 ? -4.674 -2.667 6.918 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 7 -ATOM 10625 C CD . ARG A 1 64 ? -6.022 -2.989 7.544 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 7 -ATOM 10626 N NE . ARG A 1 64 ? -6.339 -2.129 8.702 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 7 -ATOM 10627 C CZ . ARG A 1 64 ? -6.865 -2.552 9.870 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 7 -ATOM 10628 N NH1 . ARG A 1 64 ? -7.016 -3.851 10.120 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 7 -ATOM 10629 N NH2 . ARG A 1 64 ? -7.230 -1.670 10.791 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 7 -ATOM 10630 H H . ARG A 1 64 ? -7.121 -1.861 4.887 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 7 -ATOM 10631 H HA . ARG A 1 64 ? -5.417 0.342 5.282 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 7 -ATOM 10632 H HB2 . ARG A 1 64 ? -3.529 -1.015 6.287 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 7 -ATOM 10633 H HB3 . ARG A 1 64 ? -4.840 -0.593 7.357 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 7 -ATOM 10634 H HG2 . ARG A 1 64 ? -4.543 -3.283 6.040 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 7 -ATOM 10635 H HG3 . ARG A 1 64 ? -3.893 -2.890 7.630 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 7 -ATOM 10636 H HD2 . ARG A 1 64 ? -6.788 -2.858 6.792 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 7 -ATOM 10637 H HD3 . ARG A 1 64 ? -6.000 -4.014 7.859 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 7 -ATOM 10638 H HE . ARG A 1 64 ? -6.187 -1.170 8.551 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 7 -ATOM 10639 H HH11 . ARG A 1 64 ? -6.755 -4.563 9.468 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 7 -ATOM 10640 H HH12 . ARG A 1 64 ? -7.399 -4.167 10.992 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 7 -ATOM 10641 H HH21 . ARG A 1 64 ? -7.146 -0.676 10.667 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 7 -ATOM 10642 H HH22 . ARG A 1 64 ? -7.621 -1.960 11.667 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 7 -ATOM 10643 N N . LEU A 1 65 ? -3.851 -0.403 3.547 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 7 -ATOM 10644 C CA . LEU A 1 65 ? -3.171 -0.622 2.308 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 7 -ATOM 10645 C C . LEU A 1 65 ? -1.708 -0.855 2.628 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 7 -ATOM 10646 O O . LEU A 1 65 ? -1.097 -0.056 3.333 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 7 -ATOM 10647 C CB . LEU A 1 65 ? -3.397 0.623 1.407 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 7 -ATOM 10648 C CG . LEU A 1 65 ? -2.854 0.603 -0.037 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 7 -ATOM 10649 C CD1 . LEU A 1 65 ? -3.530 1.685 -0.848 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 7 -ATOM 10650 C CD2 . LEU A 1 65 ? -1.367 0.851 -0.064 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 7 -ATOM 10651 H H . LEU A 1 65 ? -3.576 0.362 4.101 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 7 -ATOM 10652 H HA . LEU A 1 65 ? -3.583 -1.497 1.828 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 7 -ATOM 10653 H HB2 . LEU A 1 65 ? -4.461 0.794 1.352 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 7 -ATOM 10654 H HB3 . LEU A 1 65 ? -2.960 1.469 1.917 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 7 -ATOM 10655 H HG . LEU A 1 65 ? -3.057 -0.353 -0.495 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 7 -ATOM 10656 H HD11 . LEU A 1 65 ? -3.135 1.663 -1.854 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 7 -ATOM 10657 H HD12 . LEU A 1 65 ? -3.336 2.648 -0.399 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 7 -ATOM 10658 H HD13 . LEU A 1 65 ? -4.595 1.503 -0.876 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 7 -ATOM 10659 H HD21 . LEU A 1 65 ? -1.173 1.796 0.420 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 7 -ATOM 10660 H HD22 . LEU A 1 65 ? -1.032 0.894 -1.088 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 7 -ATOM 10661 H HD23 . LEU A 1 65 ? -0.852 0.061 0.461 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 7 -ATOM 10662 N N . VAL A 1 66 ? -1.166 -1.946 2.137 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 7 -ATOM 10663 C CA . VAL A 1 66 ? 0.201 -2.323 2.421 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 7 -ATOM 10664 C C . VAL A 1 66 ? 1.056 -2.186 1.172 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 7 -ATOM 10665 O O . VAL A 1 66 ? 0.757 -2.787 0.117 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 7 -ATOM 10666 C CB . VAL A 1 66 ? 0.283 -3.781 2.963 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 7 -ATOM 10667 C CG1 . VAL A 1 66 ? 1.730 -4.197 3.215 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 7 -ATOM 10668 C CG2 . VAL A 1 66 ? -0.533 -3.922 4.242 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 7 -ATOM 10669 H H . VAL A 1 66 ? -1.677 -2.523 1.525 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 7 -ATOM 10670 H HA . VAL A 1 66 ? 0.579 -1.652 3.178 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 7 -ATOM 10671 H HB . VAL A 1 66 ? -0.134 -4.443 2.219 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 7 -ATOM 10672 H HG11 . VAL A 1 66 ? 2.179 -3.509 3.916 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 7 -ATOM 10673 H HG12 . VAL A 1 66 ? 2.280 -4.179 2.286 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 7 -ATOM 10674 H HG13 . VAL A 1 66 ? 1.749 -5.193 3.631 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 7 -ATOM 10675 H HG21 . VAL A 1 66 ? -0.149 -3.243 4.988 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 7 -ATOM 10676 H HG22 . VAL A 1 66 ? -0.461 -4.936 4.608 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 7 -ATOM 10677 H HG23 . VAL A 1 66 ? -1.567 -3.685 4.037 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 7 -ATOM 10678 N N . TYR A 1 67 ? 2.097 -1.409 1.276 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 7 -ATOM 10679 C CA . TYR A 1 67 ? 2.997 -1.200 0.177 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 7 -ATOM 10680 C C . TYR A 1 67 ? 4.435 -1.318 0.634 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 7 -ATOM 10681 O O . TYR A 1 67 ? 4.722 -1.171 1.816 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 7 -ATOM 10682 C CB . TYR A 1 67 ? 2.740 0.166 -0.513 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 7 -ATOM 10683 C CG . TYR A 1 67 ? 2.823 1.415 0.369 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 7 -ATOM 10684 C CD1 . TYR A 1 67 ? 4.009 1.818 0.969 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 7 -ATOM 10685 C CD2 . TYR A 1 67 ? 1.709 2.199 0.568 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 7 -ATOM 10686 C CE1 . TYR A 1 67 ? 4.067 2.957 1.739 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 7 -ATOM 10687 C CE2 . TYR A 1 67 ? 1.759 3.338 1.333 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 7 -ATOM 10688 C CZ . TYR A 1 67 ? 2.943 3.713 1.918 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 7 -ATOM 10689 O OH . TYR A 1 67 ? 3.001 4.848 2.691 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 7 -ATOM 10690 H H . TYR A 1 67 ? 2.288 -0.969 2.137 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 7 -ATOM 10691 H HA . TYR A 1 67 ? 2.805 -1.985 -0.539 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 7 -ATOM 10692 H HB2 . TYR A 1 67 ? 3.444 0.299 -1.319 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 7 -ATOM 10693 H HB3 . TYR A 1 67 ? 1.748 0.139 -0.937 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 7 -ATOM 10694 H HD1 . TYR A 1 67 ? 4.897 1.219 0.827 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 7 -ATOM 10695 H HD2 . TYR A 1 67 ? 0.781 1.900 0.106 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 7 -ATOM 10696 H HE1 . TYR A 1 67 ? 5.000 3.254 2.195 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 7 -ATOM 10697 H HE2 . TYR A 1 67 ? 0.866 3.932 1.462 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 7 -ATOM 10698 H HH . TYR A 1 67 ? 3.819 5.317 2.508 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 7 -ATOM 10699 N N . GLN A 1 68 ? 5.317 -1.598 -0.280 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 7 -ATOM 10700 C CA . GLN A 1 68 ? 6.723 -1.628 0.016 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 7 -ATOM 10701 C C . GLN A 1 68 ? 7.366 -0.414 -0.618 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 7 -ATOM 10702 O O . GLN A 1 68 ? 7.092 -0.088 -1.783 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 7 -ATOM 10703 C CB . GLN A 1 68 ? 7.398 -2.939 -0.469 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 7 -ATOM 10704 C CG . GLN A 1 68 ? 7.326 -3.179 -1.975 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 7 -ATOM 10705 C CD . GLN A 1 68 ? 7.988 -4.473 -2.422 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 7 -ATOM 10706 O OE1 . GLN A 1 68 ? 7.354 -5.521 -2.513 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 7 -ATOM 10707 N NE2 . GLN A 1 68 ? 9.263 -4.413 -2.698 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 7 -ATOM 10708 H H . GLN A 1 68 ? 5.012 -1.774 -1.200 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 7 -ATOM 10709 H HA . GLN A 1 68 ? 6.830 -1.539 1.087 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 7 -ATOM 10710 H HB2 . GLN A 1 68 ? 8.441 -2.900 -0.193 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 7 -ATOM 10711 H HB3 . GLN A 1 68 ? 6.943 -3.775 0.040 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 7 -ATOM 10712 H HG2 . GLN A 1 68 ? 6.288 -3.206 -2.268 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 7 -ATOM 10713 H HG3 . GLN A 1 68 ? 7.812 -2.351 -2.469 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 7 -ATOM 10714 H HE21 . GLN A 1 68 ? 9.718 -3.552 -2.596 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 7 -ATOM 10715 H HE22 . GLN A 1 68 ? 9.720 -5.223 -3.017 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 7 -ATOM 10716 N N . VAL A 1 69 ? 8.156 0.289 0.128 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 7 -ATOM 10717 C CA . VAL A 1 69 ? 8.828 1.435 -0.416 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 7 -ATOM 10718 C C . VAL A 1 69 ? 10.212 1.021 -0.807 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 7 -ATOM 10719 O O . VAL A 1 69 ? 11.048 0.720 0.046 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 7 -ATOM 10720 C CB . VAL A 1 69 ? 8.893 2.633 0.580 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 7 -ATOM 10721 C CG1 . VAL A 1 69 ? 9.671 3.803 -0.016 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 7 -ATOM 10722 C CG2 . VAL A 1 69 ? 7.499 3.089 0.956 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 7 -ATOM 10723 H H . VAL A 1 69 ? 8.320 0.004 1.058 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 7 -ATOM 10724 H HA . VAL A 1 69 ? 8.293 1.740 -1.305 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 7 -ATOM 10725 H HB . VAL A 1 69 ? 9.401 2.307 1.475 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 7 -ATOM 10726 H HG11 . VAL A 1 69 ? 9.193 4.132 -0.927 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 7 -ATOM 10727 H HG12 . VAL A 1 69 ? 10.679 3.485 -0.236 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 7 -ATOM 10728 H HG13 . VAL A 1 69 ? 9.700 4.617 0.693 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 7 -ATOM 10729 H HG21 . VAL A 1 69 ? 6.968 3.399 0.069 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 7 -ATOM 10730 H HG22 . VAL A 1 69 ? 7.564 3.917 1.647 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 7 -ATOM 10731 H HG23 . VAL A 1 69 ? 6.972 2.270 1.424 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 7 -ATOM 10732 N N . ILE A 1 70 ? 10.455 0.993 -2.075 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 7 -ATOM 10733 C CA . ILE A 1 70 ? 11.729 0.619 -2.567 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 7 -ATOM 10734 C C . ILE A 1 70 ? 12.468 1.889 -2.881 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 7 -ATOM 10735 O O . ILE A 1 70 ? 12.267 2.473 -3.949 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 7 -ATOM 10736 C CB . ILE A 1 70 ? 11.632 -0.226 -3.861 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 7 -ATOM 10737 C CG1 . ILE A 1 70 ? 10.619 -1.366 -3.693 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 7 -ATOM 10738 C CG2 . ILE A 1 70 ? 13.003 -0.799 -4.197 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 7 -ATOM 10739 C CD1 . ILE A 1 70 ? 10.373 -2.156 -4.964 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 7 -ATOM 10740 H H . ILE A 1 70 ? 9.759 1.254 -2.721 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 7 -ATOM 10741 H HA . ILE A 1 70 ? 12.251 0.058 -1.807 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 7 -ATOM 10742 H HB . ILE A 1 70 ? 11.315 0.417 -4.668 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 7 -ATOM 10743 H HG12 . ILE A 1 70 ? 10.984 -2.054 -2.945 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 7 -ATOM 10744 H HG13 . ILE A 1 70 ? 9.676 -0.957 -3.365 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 7 -ATOM 10745 H HG21 . ILE A 1 70 ? 12.945 -1.364 -5.115 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 7 -ATOM 10746 H HG22 . ILE A 1 70 ? 13.320 -1.451 -3.396 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 7 -ATOM 10747 H HG23 . ILE A 1 70 ? 13.716 0.004 -4.309 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 7 -ATOM 10748 H HD11 . ILE A 1 70 ? 11.301 -2.595 -5.301 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 7 -ATOM 10749 H HD12 . ILE A 1 70 ? 9.989 -1.498 -5.729 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 7 -ATOM 10750 H HD13 . ILE A 1 70 ? 9.655 -2.938 -4.769 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 7 -ATOM 10751 N N . ASP A 1 71 ? 13.281 2.343 -1.955 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 7 -ATOM 10752 C CA . ASP A 1 71 ? 14.021 3.596 -2.140 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 7 -ATOM 10753 C C . ASP A 1 71 ? 15.037 3.426 -3.240 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 7 -ATOM 10754 O O . ASP A 1 71 ? 15.287 4.339 -4.018 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 7 -ATOM 10755 C CB . ASP A 1 71 ? 14.709 4.040 -0.847 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 7 -ATOM 10756 C CG . ASP A 1 71 ? 15.411 5.384 -0.980 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 7 -ATOM 10757 O OD1 . ASP A 1 71 ? 16.598 5.427 -1.357 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 7 -ATOM 10758 O OD2 . ASP A 1 71 ? 14.786 6.423 -0.684 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 7 -ATOM 10759 H H . ASP A 1 71 ? 13.387 1.824 -1.126 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 7 -ATOM 10760 H HA . ASP A 1 71 ? 13.313 4.350 -2.450 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 7 -ATOM 10761 H HB2 . ASP A 1 71 ? 13.973 4.119 -0.061 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 7 -ATOM 10762 H HB3 . ASP A 1 71 ? 15.444 3.300 -0.571 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 7 -ATOM 10763 N N . GLU A 1 72 ? 15.552 2.215 -3.336 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 7 -ATOM 10764 C CA . GLU A 1 72 ? 16.540 1.837 -4.340 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 7 -ATOM 10765 C C . GLU A 1 72 ? 15.992 2.049 -5.764 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 7 -ATOM 10766 O O . GLU A 1 72 ? 16.721 2.427 -6.673 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 7 -ATOM 10767 C CB . GLU A 1 72 ? 16.910 0.370 -4.158 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 7 -ATOM 10768 C CG . GLU A 1 72 ? 17.360 -0.002 -2.750 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 7 -ATOM 10769 C CD . GLU A 1 72 ? 18.578 0.756 -2.295 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 7 -ATOM 10770 O OE1 . GLU A 1 72 ? 19.691 0.457 -2.772 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 7 -ATOM 10771 O OE2 . GLU A 1 72 ? 18.458 1.651 -1.440 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 7 -ATOM 10772 H H . GLU A 1 72 ? 15.265 1.554 -2.671 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 7 -ATOM 10773 H HA . GLU A 1 72 ? 17.426 2.439 -4.197 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 7 -ATOM 10774 H HB2 . GLU A 1 72 ? 16.050 -0.235 -4.406 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 7 -ATOM 10775 H HB3 . GLU A 1 72 ? 17.710 0.132 -4.845 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 7 -ATOM 10776 H HG2 . GLU A 1 72 ? 16.553 0.205 -2.065 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 7 -ATOM 10777 H HG3 . GLU A 1 72 ? 17.579 -1.060 -2.727 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 7 -ATOM 10778 N N . LYS A 1 73 ? 14.699 1.805 -5.939 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 7 -ATOM 10779 C CA . LYS A 1 73 ? 14.057 1.959 -7.242 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 7 -ATOM 10780 C C . LYS A 1 73 ? 13.220 3.231 -7.286 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 7 -ATOM 10781 O O . LYS A 1 73 ? 12.634 3.561 -8.315 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 7 -ATOM 10782 C CB . LYS A 1 73 ? 13.183 0.739 -7.578 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 7 -ATOM 10783 C CG . LYS A 1 73 ? 13.951 -0.555 -7.807 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 7 -ATOM 10784 C CD . LYS A 1 73 ? 13.009 -1.717 -8.114 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 7 -ATOM 10785 C CE . LYS A 1 73 ? 13.776 -3.002 -8.411 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 7 -ATOM 10786 N NZ . LYS A 1 73 ? 12.873 -4.150 -8.644 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 7 -ATOM 10787 H H . LYS A 1 73 ? 14.160 1.537 -5.168 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 7 -ATOM 10788 H HA . LYS A 1 73 ? 14.839 2.042 -7.981 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 7 -ATOM 10789 H HB2 . LYS A 1 73 ? 12.512 0.570 -6.748 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 7 -ATOM 10790 H HB3 . LYS A 1 73 ? 12.604 0.958 -8.463 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 7 -ATOM 10791 H HG2 . LYS A 1 73 ? 14.612 -0.409 -8.647 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 7 -ATOM 10792 H HG3 . LYS A 1 73 ? 14.530 -0.787 -6.925 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 7 -ATOM 10793 H HD2 . LYS A 1 73 ? 12.365 -1.886 -7.262 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 7 -ATOM 10794 H HD3 . LYS A 1 73 ? 12.409 -1.459 -8.975 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 7 -ATOM 10795 H HE2 . LYS A 1 73 ? 14.381 -2.851 -9.292 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 7 -ATOM 10796 H HE3 . LYS A 1 73 ? 14.421 -3.225 -7.573 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 7 -ATOM 10797 H HZ1 . LYS A 1 73 ? 12.200 -3.968 -9.415 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 7 -ATOM 10798 H HZ2 . LYS A 1 73 ? 12.328 -4.391 -7.790 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 7 -ATOM 10799 H HZ3 . LYS A 1 73 ? 13.416 -4.999 -8.899 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 7 -ATOM 10800 N N . VAL A 1 74 ? 13.178 3.932 -6.151 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 7 -ATOM 10801 C CA . VAL A 1 74 ? 12.433 5.190 -5.974 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 7 -ATOM 10802 C C . VAL A 1 74 ? 10.915 4.948 -6.251 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 7 -ATOM 10803 O O . VAL A 1 74 ? 10.179 5.827 -6.692 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 7 -ATOM 10804 C CB . VAL A 1 74 ? 13.028 6.339 -6.888 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 7 -ATOM 10805 C CG1 . VAL A 1 74 ? 12.428 7.706 -6.562 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 7 -ATOM 10806 C CG2 . VAL A 1 74 ? 14.548 6.404 -6.758 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 7 -ATOM 10807 H H . VAL A 1 74 ? 13.687 3.595 -5.383 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 7 -ATOM 10808 H HA . VAL A 1 74 ? 12.537 5.467 -4.935 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 7 -ATOM 10809 H HB . VAL A 1 74 ? 12.789 6.106 -7.916 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 7 -ATOM 10810 H HG11 . VAL A 1 74 ? 11.363 7.675 -6.731 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 7 -ATOM 10811 H HG12 . VAL A 1 74 ? 12.876 8.458 -7.196 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 7 -ATOM 10812 H HG13 . VAL A 1 74 ? 12.622 7.945 -5.527 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 7 -ATOM 10813 H HG21 . VAL A 1 74 ? 14.978 5.461 -7.065 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 7 -ATOM 10814 H HG22 . VAL A 1 74 ? 14.810 6.600 -5.729 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 7 -ATOM 10815 H HG23 . VAL A 1 74 ? 14.931 7.196 -7.384 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 7 -ATOM 10816 N N . VAL A 1 75 ? 10.442 3.772 -5.916 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 7 -ATOM 10817 C CA . VAL A 1 75 ? 9.065 3.435 -6.182 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 7 -ATOM 10818 C C . VAL A 1 75 ? 8.405 2.802 -4.964 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 7 -ATOM 10819 O O . VAL A 1 75 ? 9.018 2.021 -4.227 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 7 -ATOM 10820 C CB . VAL A 1 75 ? 8.912 2.516 -7.448 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 7 -ATOM 10821 C CG1 . VAL A 1 75 ? 9.616 1.184 -7.268 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 7 -ATOM 10822 C CG2 . VAL A 1 75 ? 7.446 2.298 -7.821 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 7 -ATOM 10823 H H . VAL A 1 75 ? 11.019 3.128 -5.452 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 7 -ATOM 10824 H HA . VAL A 1 75 ? 8.551 4.365 -6.380 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 7 -ATOM 10825 H HB . VAL A 1 75 ? 9.396 3.021 -8.271 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 7 -ATOM 10826 H HG11 . VAL A 1 75 ? 9.197 0.670 -6.416 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 7 -ATOM 10827 H HG12 . VAL A 1 75 ? 10.668 1.361 -7.104 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 7 -ATOM 10828 H HG13 . VAL A 1 75 ? 9.478 0.587 -8.157 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 7 -ATOM 10829 H HG21 . VAL A 1 75 ? 6.979 3.248 -8.036 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 7 -ATOM 10830 H HG22 . VAL A 1 75 ? 6.933 1.828 -6.994 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 7 -ATOM 10831 H HG23 . VAL A 1 75 ? 7.388 1.661 -8.691 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 7 -ATOM 10832 N N . VAL A 1 76 ? 7.196 3.197 -4.741 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 7 -ATOM 10833 C CA . VAL A 1 76 ? 6.357 2.667 -3.727 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 7 -ATOM 10834 C C . VAL A 1 76 ? 5.441 1.664 -4.408 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 7 -ATOM 10835 O O . VAL A 1 76 ? 4.627 2.031 -5.258 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 7 -ATOM 10836 C CB . VAL A 1 76 ? 5.518 3.802 -3.089 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 7 -ATOM 10837 C CG1 . VAL A 1 76 ? 4.611 3.272 -2.011 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 7 -ATOM 10838 C CG2 . VAL A 1 76 ? 6.416 4.898 -2.538 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 7 -ATOM 10839 H H . VAL A 1 76 ? 6.810 3.901 -5.310 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 7 -ATOM 10840 H HA . VAL A 1 76 ? 6.960 2.184 -2.972 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 7 -ATOM 10841 H HB . VAL A 1 76 ? 4.900 4.234 -3.863 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 7 -ATOM 10842 H HG11 . VAL A 1 76 ? 3.931 2.549 -2.436 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 7 -ATOM 10843 H HG12 . VAL A 1 76 ? 4.047 4.084 -1.578 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 7 -ATOM 10844 H HG13 . VAL A 1 76 ? 5.203 2.795 -1.244 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 7 -ATOM 10845 H HG21 . VAL A 1 76 ? 7.076 4.484 -1.790 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 7 -ATOM 10846 H HG22 . VAL A 1 76 ? 5.810 5.671 -2.091 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 7 -ATOM 10847 H HG23 . VAL A 1 76 ? 7.003 5.319 -3.341 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 7 -ATOM 10848 N N . PHE A 1 77 ? 5.583 0.432 -4.058 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 7 -ATOM 10849 C CA . PHE A 1 77 ? 4.875 -0.638 -4.710 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 7 -ATOM 10850 C C . PHE A 1 77 ? 3.792 -1.188 -3.802 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 7 -ATOM 10851 O O . PHE A 1 77 ? 4.091 -1.779 -2.764 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 7 -ATOM 10852 C CB . PHE A 1 77 ? 5.893 -1.723 -5.103 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 7 -ATOM 10853 C CG . PHE A 1 77 ? 5.328 -2.958 -5.749 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 7 -ATOM 10854 C CD1 . PHE A 1 77 ? 4.819 -2.916 -7.031 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 7 -ATOM 10855 C CD2 . PHE A 1 77 ? 5.339 -4.169 -5.077 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 7 -ATOM 10856 C CE1 . PHE A 1 77 ? 4.332 -4.057 -7.631 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 7 -ATOM 10857 C CE2 . PHE A 1 77 ? 4.851 -5.310 -5.669 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 7 -ATOM 10858 C CZ . PHE A 1 77 ? 4.349 -5.253 -6.947 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 7 -ATOM 10859 H H . PHE A 1 77 ? 6.185 0.212 -3.310 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 7 -ATOM 10860 H HA . PHE A 1 77 ? 4.423 -0.251 -5.611 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 7 -ATOM 10861 H HB2 . PHE A 1 77 ? 6.602 -1.297 -5.797 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 7 -ATOM 10862 H HB3 . PHE A 1 77 ? 6.426 -2.025 -4.215 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 7 -ATOM 10863 H HD1 . PHE A 1 77 ? 4.806 -1.978 -7.566 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 7 -ATOM 10864 H HD2 . PHE A 1 77 ? 5.733 -4.214 -4.073 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 7 -ATOM 10865 H HE1 . PHE A 1 77 ? 3.935 -4.013 -8.635 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 7 -ATOM 10866 H HE2 . PHE A 1 77 ? 4.863 -6.247 -5.133 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 7 -ATOM 10867 H HZ . PHE A 1 77 ? 3.966 -6.147 -7.417 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 7 -ATOM 10868 N N . VAL A 1 78 ? 2.544 -0.955 -4.168 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 7 -ATOM 10869 C CA . VAL A 1 78 ? 1.410 -1.456 -3.413 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 7 -ATOM 10870 C C . VAL A 1 78 ? 1.299 -2.947 -3.642 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 7 -ATOM 10871 O O . VAL A 1 78 ? 1.151 -3.395 -4.784 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 7 -ATOM 10872 C CB . VAL A 1 78 ? 0.081 -0.751 -3.817 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 7 -ATOM 10873 C CG1 . VAL A 1 78 ? -1.106 -1.300 -3.023 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 7 -ATOM 10874 C CG2 . VAL A 1 78 ? 0.199 0.760 -3.634 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 7 -ATOM 10875 H H . VAL A 1 78 ? 2.382 -0.439 -4.992 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 7 -ATOM 10876 H HA . VAL A 1 78 ? 1.605 -1.286 -2.365 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 7 -ATOM 10877 H HB . VAL A 1 78 ? -0.101 -0.954 -4.861 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 7 -ATOM 10878 H HG11 . VAL A 1 78 ? -1.223 -2.351 -3.243 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 7 -ATOM 10879 H HG12 . VAL A 1 78 ? -2.010 -0.774 -3.295 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 7 -ATOM 10880 H HG13 . VAL A 1 78 ? -0.929 -1.179 -1.965 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 7 -ATOM 10881 H HG21 . VAL A 1 78 ? 0.460 0.983 -2.611 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 7 -ATOM 10882 H HG22 . VAL A 1 78 ? -0.747 1.225 -3.872 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 7 -ATOM 10883 H HG23 . VAL A 1 78 ? 0.964 1.142 -4.294 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 7 -ATOM 10884 N N . ILE A 1 79 ? 1.365 -3.700 -2.569 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 7 -ATOM 10885 C CA . ILE A 1 79 ? 1.390 -5.141 -2.663 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 7 -ATOM 10886 C C . ILE A 1 79 ? -0.001 -5.711 -2.431 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 7 -ATOM 10887 O O . ILE A 1 79 ? -0.442 -6.617 -3.133 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 7 -ATOM 10888 C CB . ILE A 1 79 ? 2.342 -5.749 -1.608 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 7 -ATOM 10889 C CG1 . ILE A 1 79 ? 3.696 -5.041 -1.610 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 7 -ATOM 10890 C CG2 . ILE A 1 79 ? 2.545 -7.218 -1.904 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 7 -ATOM 10891 C CD1 . ILE A 1 79 ? 4.621 -5.510 -0.507 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 7 -ATOM 10892 H H . ILE A 1 79 ? 1.390 -3.276 -1.683 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 7 -ATOM 10893 H HA . ILE A 1 79 ? 1.742 -5.421 -3.644 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 7 -ATOM 10894 H HB . ILE A 1 79 ? 1.889 -5.649 -0.632 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 7 -ATOM 10895 H HG12 . ILE A 1 79 ? 4.188 -5.220 -2.554 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 7 -ATOM 10896 H HG13 . ILE A 1 79 ? 3.542 -3.978 -1.489 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 7 -ATOM 10897 H HG21 . ILE A 1 79 ? 1.607 -7.745 -1.807 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 7 -ATOM 10898 H HG22 . ILE A 1 79 ? 3.284 -7.626 -1.228 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 7 -ATOM 10899 H HG23 . ILE A 1 79 ? 2.904 -7.318 -2.916 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 7 -ATOM 10900 H HD11 . ILE A 1 79 ? 4.752 -6.580 -0.587 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 7 -ATOM 10901 H HD12 . ILE A 1 79 ? 4.206 -5.260 0.458 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 7 -ATOM 10902 H HD13 . ILE A 1 79 ? 5.578 -5.029 -0.628 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 7 -ATOM 10903 N N . SER A 1 80 ? -0.694 -5.169 -1.460 1.00 0.00 ? ? ? ? ? ? 77 SER A N 7 -ATOM 10904 C CA . SER A 1 80 ? -1.995 -5.652 -1.119 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 7 -ATOM 10905 C C . SER A 1 80 ? -2.781 -4.510 -0.493 1.00 0.00 ? ? ? ? ? ? 77 SER A C 7 -ATOM 10906 O O . SER A 1 80 ? -2.190 -3.590 0.090 1.00 0.00 ? ? ? ? ? ? 77 SER A O 7 -ATOM 10907 C CB . SER A 1 80 ? -1.863 -6.841 -0.148 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 7 -ATOM 10908 O OG . SER A 1 80 ? -3.104 -7.503 0.037 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 7 -ATOM 10909 H H . SER A 1 80 ? -0.342 -4.410 -0.946 1.00 0.00 ? ? ? ? ? ? 77 SER A H 7 -ATOM 10910 H HA . SER A 1 80 ? -2.488 -5.979 -2.021 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 7 -ATOM 10911 H HB2 . SER A 1 80 ? -1.152 -7.549 -0.546 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 7 -ATOM 10912 H HB3 . SER A 1 80 ? -1.511 -6.483 0.808 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 7 -ATOM 10913 H HG . SER A 1 80 ? -3.057 -8.330 -0.456 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 7 -ATOM 10914 N N . VAL A 1 81 ? -4.081 -4.546 -0.631 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 7 -ATOM 10915 C CA . VAL A 1 81 ? -4.929 -3.499 -0.121 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 7 -ATOM 10916 C C . VAL A 1 81 ? -6.291 -4.073 0.283 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 7 -ATOM 10917 O O . VAL A 1 81 ? -6.821 -4.963 -0.394 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 7 -ATOM 10918 C CB . VAL A 1 81 ? -5.088 -2.343 -1.171 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 7 -ATOM 10919 C CG1 . VAL A 1 81 ? -5.670 -2.839 -2.487 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 7 -ATOM 10920 C CG2 . VAL A 1 81 ? -5.921 -1.203 -0.624 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 7 -ATOM 10921 H H . VAL A 1 81 ? -4.513 -5.310 -1.067 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 7 -ATOM 10922 H HA . VAL A 1 81 ? -4.454 -3.100 0.762 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 7 -ATOM 10923 H HB . VAL A 1 81 ? -4.099 -1.968 -1.386 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 7 -ATOM 10924 H HG11 . VAL A 1 81 ? -5.763 -2.013 -3.175 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 7 -ATOM 10925 H HG12 . VAL A 1 81 ? -6.646 -3.265 -2.307 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 7 -ATOM 10926 H HG13 . VAL A 1 81 ? -5.022 -3.592 -2.910 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 7 -ATOM 10927 H HG21 . VAL A 1 81 ? -5.445 -0.814 0.263 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 7 -ATOM 10928 H HG22 . VAL A 1 81 ? -6.910 -1.559 -0.380 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 7 -ATOM 10929 H HG23 . VAL A 1 81 ? -5.983 -0.422 -1.368 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 7 -ATOM 10930 N N . GLY A 1 82 ? -6.814 -3.629 1.407 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 7 -ATOM 10931 C CA . GLY A 1 82 ? -8.118 -4.059 1.824 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 7 -ATOM 10932 C C . GLY A 1 82 ? -8.234 -4.168 3.316 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 7 -ATOM 10933 O O . GLY A 1 82 ? -7.736 -3.318 4.054 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 7 -ATOM 10934 H H . GLY A 1 82 ? -6.309 -3.018 1.992 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 7 -ATOM 10935 H HA2 . GLY A 1 82 ? -8.840 -3.335 1.480 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 7 -ATOM 10936 H HA3 . GLY A 1 82 ? -8.336 -5.019 1.382 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 7 -ATOM 10937 N N . LYS A 1 83 ? -8.898 -5.184 3.762 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 7 -ATOM 10938 C CA . LYS A 1 83 ? -9.067 -5.422 5.166 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 7 -ATOM 10939 C C . LYS A 1 83 ? -8.116 -6.504 5.623 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 7 -ATOM 10940 O O . LYS A 1 83 ? -7.623 -7.303 4.815 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 7 -ATOM 10941 C CB . LYS A 1 83 ? -10.518 -5.806 5.491 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 7 -ATOM 10942 C CG . LYS A 1 83 ? -11.516 -4.684 5.262 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 7 -ATOM 10943 C CD . LYS A 1 83 ? -12.945 -5.097 5.607 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 7 -ATOM 10944 C CE . LYS A 1 83 ? -13.507 -6.150 4.657 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 7 -ATOM 10945 N NZ . LYS A 1 83 ? -13.653 -5.650 3.266 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 7 -ATOM 10946 H H . LYS A 1 83 ? -9.285 -5.821 3.124 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 7 -ATOM 10947 H HA . LYS A 1 83 ? -8.825 -4.507 5.686 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 7 -ATOM 10948 H HB2 . LYS A 1 83 ? -10.800 -6.635 4.861 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 7 -ATOM 10949 H HB3 . LYS A 1 83 ? -10.584 -6.115 6.524 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 7 -ATOM 10950 H HG2 . LYS A 1 83 ? -11.242 -3.845 5.884 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 7 -ATOM 10951 H HG3 . LYS A 1 83 ? -11.475 -4.387 4.225 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 7 -ATOM 10952 H HD2 . LYS A 1 83 ? -12.957 -5.503 6.608 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 7 -ATOM 10953 H HD3 . LYS A 1 83 ? -13.577 -4.222 5.573 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 7 -ATOM 10954 H HE2 . LYS A 1 83 ? -12.835 -6.993 4.649 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 7 -ATOM 10955 H HE3 . LYS A 1 83 ? -14.474 -6.460 5.026 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 7 -ATOM 10956 H HZ1 . LYS A 1 83 ? -14.232 -4.785 3.212 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 7 -ATOM 10957 H HZ2 . LYS A 1 83 ? -14.148 -6.357 2.686 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 7 -ATOM 10958 H HZ3 . LYS A 1 83 ? -12.738 -5.467 2.811 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 7 -ATOM 10959 N N . ALA A 1 84 ? -7.852 -6.524 6.890 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 7 -ATOM 10960 C CA . ALA A 1 84 ? -6.987 -7.507 7.472 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 7 -ATOM 10961 C C . ALA A 1 84 ? -7.731 -8.167 8.591 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 7 -ATOM 10962 O O . ALA A 1 84 ? -7.829 -7.613 9.692 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 7 -ATOM 10963 C CB . ALA A 1 84 ? -5.700 -6.864 7.979 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 7 -ATOM 10964 H H . ALA A 1 84 ? -8.283 -5.868 7.480 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 7 -ATOM 10965 H HA . ALA A 1 84 ? -6.746 -8.242 6.719 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 7 -ATOM 10966 H HB1 . ALA A 1 84 ? -5.040 -7.624 8.371 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 7 -ATOM 10967 H HB2 . ALA A 1 84 ? -5.940 -6.163 8.764 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 7 -ATOM 10968 H HB3 . ALA A 1 84 ? -5.212 -6.341 7.171 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 7 -ATOM 10969 N N . GLU A 1 85 ? -8.331 -9.287 8.300 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 7 -ATOM 10970 C CA . GLU A 1 85 ? -9.125 -9.985 9.282 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 7 -ATOM 10971 C C . GLU A 1 85 ? -8.607 -11.393 9.470 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 7 -ATOM 10972 O O . GLU A 1 85 ? -8.503 -11.884 10.589 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 7 -ATOM 10973 C CB . GLU A 1 85 ? -10.595 -9.971 8.863 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 7 -ATOM 10974 C CG . GLU A 1 85 ? -11.123 -8.557 8.641 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 7 -ATOM 10975 C CD . GLU A 1 85 ? -12.542 -8.514 8.175 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 7 -ATOM 10976 O OE1 . GLU A 1 85 ? -12.812 -8.917 7.025 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 7 -ATOM 10977 O OE2 . GLU A 1 85 ? -13.423 -8.061 8.948 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 7 -ATOM 10978 H H . GLU A 1 85 ? -8.245 -9.667 7.393 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 7 -ATOM 10979 H HA . GLU A 1 85 ? -9.024 -9.459 10.218 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 7 -ATOM 10980 H HB2 . GLU A 1 85 ? -10.702 -10.528 7.944 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 7 -ATOM 10981 H HB3 . GLU A 1 85 ? -11.188 -10.439 9.633 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 7 -ATOM 10982 H HG2 . GLU A 1 85 ? -11.060 -8.015 9.572 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 7 -ATOM 10983 H HG3 . GLU A 1 85 ? -10.499 -8.071 7.906 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 7 -ATOM 10984 N N . ALA A 1 86 ? -8.266 -12.032 8.381 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 7 -ATOM 10985 C CA . ALA A 1 86 ? -7.708 -13.368 8.418 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 7 -ATOM 10986 C C . ALA A 1 86 ? -6.366 -13.361 7.705 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 7 -ATOM 10987 O O . ALA A 1 86 ? -5.919 -14.387 7.155 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 7 -ATOM 10988 C CB . ALA A 1 86 ? -8.669 -14.373 7.789 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 7 -ATOM 10989 H H . ALA A 1 86 ? -8.398 -11.607 7.500 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 7 -ATOM 10990 H HA . ALA A 1 86 ? -7.548 -13.628 9.454 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 7 -ATOM 10991 H HB1 . ALA A 1 86 ? -8.830 -14.113 6.754 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 7 -ATOM 10992 H HB2 . ALA A 1 86 ? -9.611 -14.349 8.316 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 7 -ATOM 10993 H HB3 . ALA A 1 86 ? -8.246 -15.365 7.850 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 7 -ATOM 10994 N N . SER A 1 87 ? -5.715 -12.191 7.765 1.00 0.00 ? ? ? ? ? ? 84 SER A N 7 -ATOM 10995 C CA . SER A 1 87 ? -4.390 -11.938 7.195 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 7 -ATOM 10996 C C . SER A 1 87 ? -4.407 -11.850 5.673 1.00 0.00 ? ? ? ? ? ? 84 SER A C 7 -ATOM 10997 O O . SER A 1 87 ? -3.420 -12.187 5.026 1.00 0.00 ? ? ? ? ? ? 84 SER A O 7 -ATOM 10998 C CB . SER A 1 87 ? -3.360 -12.972 7.694 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 7 -ATOM 10999 O OG . SER A 1 87 ? -3.239 -12.908 9.109 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 7 -ATOM 11000 H H . SER A 1 87 ? -6.160 -11.461 8.246 1.00 0.00 ? ? ? ? ? ? 84 SER A H 7 -ATOM 11001 H HA . SER A 1 87 ? -4.094 -10.968 7.561 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 7 -ATOM 11002 H HB2 . SER A 1 87 ? -3.690 -13.962 7.418 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 7 -ATOM 11003 H HB3 . SER A 1 87 ? -2.397 -12.776 7.247 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 7 -ATOM 11004 H HG . SER A 1 87 ? -2.531 -13.505 9.382 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 7 -ATOM 11005 N N . GLU A 1 88 ? -5.486 -11.281 5.115 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 7 -ATOM 11006 C CA . GLU A 1 88 ? -5.632 -11.132 3.666 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 7 -ATOM 11007 C C . GLU A 1 88 ? -4.468 -10.337 3.090 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 7 -ATOM 11008 O O . GLU A 1 88 ? -3.767 -10.798 2.184 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 7 -ATOM 11009 C CB . GLU A 1 88 ? -6.929 -10.381 3.323 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 7 -ATOM 11010 C CG . GLU A 1 88 ? -8.241 -11.109 3.589 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 7 -ATOM 11011 C CD . GLU A 1 88 ? -8.483 -11.459 5.029 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 7 -ATOM 11012 O OE1 . GLU A 1 88 ? -8.260 -10.605 5.928 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 7 -ATOM 11013 O OE2 . GLU A 1 88 ? -8.876 -12.590 5.290 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 7 -ATOM 11014 H H . GLU A 1 88 ? -6.234 -10.966 5.670 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 7 -ATOM 11015 H HA . GLU A 1 88 ? -5.670 -12.113 3.216 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 7 -ATOM 11016 H HB2 . GLU A 1 88 ? -6.948 -9.465 3.894 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 7 -ATOM 11017 H HB3 . GLU A 1 88 ? -6.886 -10.122 2.279 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 7 -ATOM 11018 H HG2 . GLU A 1 88 ? -9.061 -10.492 3.254 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 7 -ATOM 11019 H HG3 . GLU A 1 88 ? -8.238 -12.021 3.009 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 7 -ATOM 11020 N N . VAL A 1 89 ? -4.221 -9.179 3.676 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 7 -ATOM 11021 C CA . VAL A 1 89 ? -3.166 -8.306 3.201 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 7 -ATOM 11022 C C . VAL A 1 89 ? -1.773 -8.841 3.527 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 7 -ATOM 11023 O O . VAL A 1 89 ? -0.839 -8.590 2.798 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 7 -ATOM 11024 C CB . VAL A 1 89 ? -3.316 -6.842 3.712 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 7 -ATOM 11025 C CG1 . VAL A 1 89 ? -4.607 -6.221 3.198 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 7 -ATOM 11026 C CG2 . VAL A 1 89 ? -3.260 -6.772 5.234 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 7 -ATOM 11027 H H . VAL A 1 89 ? -4.787 -8.899 4.425 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 7 -ATOM 11028 H HA . VAL A 1 89 ? -3.253 -8.291 2.124 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 7 -ATOM 11029 H HB . VAL A 1 89 ? -2.494 -6.267 3.311 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 7 -ATOM 11030 H HG11 . VAL A 1 89 ? -5.450 -6.801 3.546 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 7 -ATOM 11031 H HG12 . VAL A 1 89 ? -4.597 -6.209 2.119 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 7 -ATOM 11032 H HG13 . VAL A 1 89 ? -4.691 -5.208 3.565 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 7 -ATOM 11033 H HG21 . VAL A 1 89 ? -2.308 -7.152 5.578 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 7 -ATOM 11034 H HG22 . VAL A 1 89 ? -4.053 -7.379 5.646 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 7 -ATOM 11035 H HG23 . VAL A 1 89 ? -3.379 -5.748 5.556 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 7 -ATOM 11036 N N . TYR A 1 90 ? -1.654 -9.619 4.593 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 7 -ATOM 11037 C CA . TYR A 1 90 ? -0.352 -10.121 5.013 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 7 -ATOM 11038 C C . TYR A 1 90 ? 0.092 -11.276 4.153 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 7 -ATOM 11039 O O . TYR A 1 90 ? 1.217 -11.276 3.653 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 7 -ATOM 11040 C CB . TYR A 1 90 ? -0.330 -10.533 6.484 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 7 -ATOM 11041 C CG . TYR A 1 90 ? -0.473 -9.396 7.471 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 7 -ATOM 11042 C CD1 . TYR A 1 90 ? 0.624 -8.615 7.810 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 7 -ATOM 11043 C CD2 . TYR A 1 90 ? -1.689 -9.121 8.083 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 7 -ATOM 11044 C CE1 . TYR A 1 90 ? 0.515 -7.593 8.730 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 7 -ATOM 11045 C CE2 . TYR A 1 90 ? -1.809 -8.095 8.999 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 7 -ATOM 11046 C CZ . TYR A 1 90 ? -0.704 -7.337 9.323 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 7 -ATOM 11047 O OH . TYR A 1 90 ? -0.817 -6.321 10.252 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 7 -ATOM 11048 H H . TYR A 1 90 ? -2.464 -9.883 5.074 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 7 -ATOM 11049 H HA . TYR A 1 90 ? 0.352 -9.315 4.872 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 7 -ATOM 11050 H HB2 . TYR A 1 90 ? -1.135 -11.228 6.659 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 7 -ATOM 11051 H HB3 . TYR A 1 90 ? 0.606 -11.034 6.685 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 7 -ATOM 11052 H HD1 . TYR A 1 90 ? 1.577 -8.816 7.342 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 7 -ATOM 11053 H HD2 . TYR A 1 90 ? -2.552 -9.717 7.828 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 7 -ATOM 11054 H HE1 . TYR A 1 90 ? 1.381 -6.996 8.975 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 7 -ATOM 11055 H HE2 . TYR A 1 90 ? -2.763 -7.892 9.463 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 7 -ATOM 11056 H HH . TYR A 1 90 ? -1.377 -6.659 10.962 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 7 -ATOM 11057 N N . SER A 1 91 ? -0.798 -12.241 3.957 1.00 0.00 ? ? ? ? ? ? 88 SER A N 7 -ATOM 11058 C CA . SER A 1 91 ? -0.500 -13.414 3.167 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 7 -ATOM 11059 C C . SER A 1 91 ? -0.159 -13.029 1.733 1.00 0.00 ? ? ? ? ? ? 88 SER A C 7 -ATOM 11060 O O . SER A 1 91 ? 0.819 -13.536 1.164 1.00 0.00 ? ? ? ? ? ? 88 SER A O 7 -ATOM 11061 C CB . SER A 1 91 ? -1.675 -14.379 3.206 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 7 -ATOM 11062 O OG . SER A 1 91 ? -1.994 -14.735 4.550 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 7 -ATOM 11063 H H . SER A 1 91 ? -1.693 -12.192 4.361 1.00 0.00 ? ? ? ? ? ? 88 SER A H 7 -ATOM 11064 H HA . SER A 1 91 ? 0.360 -13.896 3.607 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 7 -ATOM 11065 H HB2 . SER A 1 91 ? -2.535 -13.906 2.756 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 7 -ATOM 11066 H HB3 . SER A 1 91 ? -1.426 -15.273 2.655 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 7 -ATOM 11067 H HG . SER A 1 91 ? -2.904 -15.056 4.527 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 7 -ATOM 11068 N N . GLU A 1 92 ? -0.924 -12.101 1.165 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 7 -ATOM 11069 C CA . GLU A 1 92 ? -0.647 -11.643 -0.176 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 7 -ATOM 11070 C C . GLU A 1 92 ? 0.642 -10.859 -0.222 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 7 -ATOM 11071 O O . GLU A 1 92 ? 1.390 -10.976 -1.164 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 7 -ATOM 11072 C CB . GLU A 1 92 ? -1.797 -10.823 -0.763 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 7 -ATOM 11073 C CG . GLU A 1 92 ? -3.056 -11.628 -1.030 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 7 -ATOM 11074 C CD . GLU A 1 92 ? -2.801 -12.809 -1.941 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 7 -ATOM 11075 O OE1 . GLU A 1 92 ? -2.561 -12.619 -3.151 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 7 -ATOM 11076 O OE2 . GLU A 1 92 ? -2.837 -13.962 -1.461 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 7 -ATOM 11077 H H . GLU A 1 92 ? -1.685 -11.721 1.655 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 7 -ATOM 11078 H HA . GLU A 1 92 ? -0.512 -12.529 -0.780 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 7 -ATOM 11079 H HB2 . GLU A 1 92 ? -2.042 -10.030 -0.073 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 7 -ATOM 11080 H HB3 . GLU A 1 92 ? -1.471 -10.382 -1.694 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 7 -ATOM 11081 H HG2 . GLU A 1 92 ? -3.438 -11.997 -0.089 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 7 -ATOM 11082 H HG3 . GLU A 1 92 ? -3.790 -10.986 -1.493 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 7 -ATOM 11083 N N . ALA A 1 93 ? 0.921 -10.099 0.828 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 7 -ATOM 11084 C CA . ALA A 1 93 ? 2.127 -9.300 0.880 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 7 -ATOM 11085 C C . ALA A 1 93 ? 3.370 -10.169 0.922 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 7 -ATOM 11086 O O . ALA A 1 93 ? 4.234 -10.052 0.061 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 7 -ATOM 11087 C CB . ALA A 1 93 ? 2.111 -8.326 2.046 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 7 -ATOM 11088 H H . ALA A 1 93 ? 0.299 -10.072 1.585 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 7 -ATOM 11089 H HA . ALA A 1 93 ? 2.150 -8.728 -0.035 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 7 -ATOM 11090 H HB1 . ALA A 1 93 ? 1.216 -7.723 2.001 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 7 -ATOM 11091 H HB2 . ALA A 1 93 ? 2.979 -7.686 1.994 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 7 -ATOM 11092 H HB3 . ALA A 1 93 ? 2.125 -8.878 2.974 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 7 -ATOM 11093 N N . VAL A 1 94 ? 3.434 -11.078 1.887 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 7 -ATOM 11094 C CA . VAL A 1 94 ? 4.609 -11.927 2.060 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 7 -ATOM 11095 C C . VAL A 1 94 ? 4.828 -12.856 0.845 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 7 -ATOM 11096 O O . VAL A 1 94 ? 5.968 -13.097 0.426 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 7 -ATOM 11097 C CB . VAL A 1 94 ? 4.582 -12.720 3.418 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 7 -ATOM 11098 C CG1 . VAL A 1 94 ? 3.389 -13.655 3.528 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 7 -ATOM 11099 C CG2 . VAL A 1 94 ? 5.883 -13.474 3.652 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 7 -ATOM 11100 H H . VAL A 1 94 ? 2.667 -11.173 2.496 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 7 -ATOM 11101 H HA . VAL A 1 94 ? 5.452 -11.250 2.078 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 7 -ATOM 11102 H HB . VAL A 1 94 ? 4.478 -11.988 4.206 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 7 -ATOM 11103 H HG11 . VAL A 1 94 ? 3.411 -14.365 2.716 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 7 -ATOM 11104 H HG12 . VAL A 1 94 ? 2.477 -13.079 3.481 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 7 -ATOM 11105 H HG13 . VAL A 1 94 ? 3.433 -14.181 4.470 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 7 -ATOM 11106 H HG21 . VAL A 1 94 ? 5.830 -14.008 4.589 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 7 -ATOM 11107 H HG22 . VAL A 1 94 ? 6.708 -12.776 3.680 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 7 -ATOM 11108 H HG23 . VAL A 1 94 ? 6.036 -14.175 2.846 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 7 -ATOM 11109 N N . LYS A 1 95 ? 3.744 -13.327 0.249 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 7 -ATOM 11110 C CA . LYS A 1 95 ? 3.837 -14.172 -0.935 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 7 -ATOM 11111 C C . LYS A 1 95 ? 4.143 -13.366 -2.196 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 7 -ATOM 11112 O O . LYS A 1 95 ? 4.604 -13.914 -3.184 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 7 -ATOM 11113 C CB . LYS A 1 95 ? 2.579 -15.042 -1.141 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 7 -ATOM 11114 C CG . LYS A 1 95 ? 2.593 -16.421 -0.451 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 7 -ATOM 11115 C CD . LYS A 1 95 ? 2.724 -16.344 1.062 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 7 -ATOM 11116 C CE . LYS A 1 95 ? 2.716 -17.734 1.702 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 7 -ATOM 11117 N NZ . LYS A 1 95 ? 1.447 -18.466 1.461 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 7 -ATOM 11118 H H . LYS A 1 95 ? 2.856 -13.102 0.606 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 7 -ATOM 11119 H HA . LYS A 1 95 ? 4.678 -14.829 -0.768 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 7 -ATOM 11120 H HB2 . LYS A 1 95 ? 1.726 -14.496 -0.764 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 7 -ATOM 11121 H HB3 . LYS A 1 95 ? 2.444 -15.197 -2.201 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 7 -ATOM 11122 H HG2 . LYS A 1 95 ? 1.670 -16.931 -0.681 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 7 -ATOM 11123 H HG3 . LYS A 1 95 ? 3.417 -16.993 -0.849 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 7 -ATOM 11124 H HD2 . LYS A 1 95 ? 3.663 -15.863 1.298 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 7 -ATOM 11125 H HD3 . LYS A 1 95 ? 1.904 -15.764 1.460 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 7 -ATOM 11126 H HE2 . LYS A 1 95 ? 3.530 -18.312 1.289 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 7 -ATOM 11127 H HE3 . LYS A 1 95 ? 2.864 -17.627 2.766 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 7 -ATOM 11128 H HZ1 . LYS A 1 95 ? 1.289 -18.638 0.448 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 7 -ATOM 11129 H HZ2 . LYS A 1 95 ? 0.627 -17.935 1.823 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 7 -ATOM 11130 H HZ3 . LYS A 1 95 ? 1.461 -19.386 1.948 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 7 -ATOM 11131 N N . ARG A 1 96 ? 3.904 -12.075 -2.171 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 7 -ATOM 11132 C CA . ARG A 1 96 ? 4.146 -11.282 -3.360 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 7 -ATOM 11133 C C . ARG A 1 96 ? 5.547 -10.667 -3.319 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 7 -ATOM 11134 O O . ARG A 1 96 ? 6.004 -10.028 -4.287 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 7 -ATOM 11135 C CB . ARG A 1 96 ? 3.057 -10.232 -3.554 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 7 -ATOM 11136 C CG . ARG A 1 96 ? 2.950 -9.675 -4.960 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 7 -ATOM 11137 C CD . ARG A 1 96 ? 2.684 -10.790 -5.963 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 7 -ATOM 11138 N NE . ARG A 1 96 ? 2.417 -10.270 -7.289 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 7 -ATOM 11139 C CZ . ARG A 1 96 ? 2.457 -10.952 -8.425 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 7 -ATOM 11140 N NH1 . ARG A 1 96 ? 2.792 -12.242 -8.441 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 7 -ATOM 11141 N NH2 . ARG A 1 96 ? 2.178 -10.329 -9.547 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 7 -ATOM 11142 H H . ARG A 1 96 ? 3.548 -11.643 -1.364 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 7 -ATOM 11143 H HA . ARG A 1 96 ? 4.122 -11.976 -4.187 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 7 -ATOM 11144 H HB2 . ARG A 1 96 ? 2.106 -10.670 -3.292 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 7 -ATOM 11145 H HB3 . ARG A 1 96 ? 3.259 -9.415 -2.878 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 7 -ATOM 11146 H HG2 . ARG A 1 96 ? 2.138 -8.964 -5.001 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 7 -ATOM 11147 H HG3 . ARG A 1 96 ? 3.877 -9.184 -5.219 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 7 -ATOM 11148 H HD2 . ARG A 1 96 ? 3.558 -11.421 -6.023 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 7 -ATOM 11149 H HD3 . ARG A 1 96 ? 1.837 -11.371 -5.633 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 7 -ATOM 11150 H HE . ARG A 1 96 ? 2.165 -9.311 -7.326 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 7 -ATOM 11151 H HH11 . ARG A 1 96 ? 3.025 -12.745 -7.605 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 7 -ATOM 11152 H HH12 . ARG A 1 96 ? 2.819 -12.766 -9.297 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 7 -ATOM 11153 H HH21 . ARG A 1 96 ? 1.940 -9.354 -9.513 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 7 -ATOM 11154 H HH22 . ARG A 1 96 ? 2.160 -10.787 -10.439 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 7 -ATOM 11155 N N . ILE A 1 97 ? 6.218 -10.838 -2.187 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 7 -ATOM 11156 C CA . ILE A 1 97 ? 7.617 -10.488 -2.075 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 7 -ATOM 11157 C C . ILE A 1 97 ? 8.369 -11.572 -2.827 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 7 -ATOM 11158 O O . ILE A 1 97 ? 8.494 -12.703 -2.351 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 7 -ATOM 11159 C CB . ILE A 1 97 ? 8.110 -10.444 -0.590 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 7 -ATOM 11160 C CG1 . ILE A 1 97 ? 7.328 -9.407 0.241 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 7 -ATOM 11161 C CG2 . ILE A 1 97 ? 9.616 -10.165 -0.511 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 7 -ATOM 11162 C CD1 . ILE A 1 97 ? 7.465 -7.973 -0.238 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 7 -ATOM 11163 H H . ILE A 1 97 ? 5.754 -11.222 -1.413 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 7 -ATOM 11164 H HA . ILE A 1 97 ? 7.777 -9.536 -2.559 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 7 -ATOM 11165 H HB . ILE A 1 97 ? 7.941 -11.425 -0.171 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 7 -ATOM 11166 H HG12 . ILE A 1 97 ? 6.276 -9.653 0.212 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 7 -ATOM 11167 H HG13 . ILE A 1 97 ? 7.669 -9.451 1.266 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 7 -ATOM 11168 H HG21 . ILE A 1 97 ? 9.827 -9.212 -0.973 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 7 -ATOM 11169 H HG22 . ILE A 1 97 ? 10.154 -10.943 -1.032 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 7 -ATOM 11170 H HG23 . ILE A 1 97 ? 9.926 -10.141 0.523 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 7 -ATOM 11171 H HD11 . ILE A 1 97 ? 6.891 -7.322 0.405 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 7 -ATOM 11172 H HD12 . ILE A 1 97 ? 7.096 -7.892 -1.249 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 7 -ATOM 11173 H HD13 . ILE A 1 97 ? 8.504 -7.680 -0.208 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 7 -ATOM 11174 N N . LEU A 1 98 ? 8.788 -11.257 -4.011 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 7 -ATOM 11175 C CA . LEU A 1 98 ? 9.395 -12.223 -4.867 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 7 -ATOM 11176 C C . LEU A 1 98 ? 10.675 -11.635 -5.434 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 7 -ATOM 11177 O O . LEU A 1 98 ? 11.748 -11.809 -4.806 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 7 -ATOM 11178 C CB . LEU A 1 98 ? 8.389 -12.592 -5.981 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 7 -ATOM 11179 C CG . LEU A 1 98 ? 8.739 -13.773 -6.885 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 7 -ATOM 11180 C CD1 . LEU A 1 98 ? 8.848 -15.058 -6.079 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 7 -ATOM 11181 C CD2 . LEU A 1 98 ? 7.693 -13.925 -7.981 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 7 -ATOM 11182 O OXT . LEU A 1 98 ? 10.621 -10.955 -6.463 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 7 -ATOM 11183 H H . LEU A 1 98 ? 8.697 -10.337 -4.333 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 7 -ATOM 11184 H HA . LEU A 1 98 ? 9.617 -13.105 -4.286 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 7 -ATOM 11185 H HB2 . LEU A 1 98 ? 7.441 -12.808 -5.512 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 7 -ATOM 11186 H HB3 . LEU A 1 98 ? 8.258 -11.721 -6.605 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 7 -ATOM 11187 H HG . LEU A 1 98 ? 9.693 -13.585 -7.354 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 7 -ATOM 11188 H HD11 . LEU A 1 98 ? 9.636 -14.969 -5.346 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 7 -ATOM 11189 H HD12 . LEU A 1 98 ? 9.065 -15.880 -6.743 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 7 -ATOM 11190 H HD13 . LEU A 1 98 ? 7.910 -15.244 -5.577 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 7 -ATOM 11191 H HD21 . LEU A 1 98 ? 7.950 -14.767 -8.607 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 7 -ATOM 11192 H HD22 . LEU A 1 98 ? 7.666 -13.028 -8.582 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 7 -ATOM 11193 H HD23 . LEU A 1 98 ? 6.723 -14.091 -7.536 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 7 -ATOM 11194 N N . MET A 1 4 ? 10.858 13.903 -0.634 1.00 0.00 ? ? ? ? ? ? 1 MET A N 8 -ATOM 11195 C CA . MET A 1 4 ? 11.185 13.236 -1.882 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 8 -ATOM 11196 C C . MET A 1 4 ? 9.988 12.454 -2.335 1.00 0.00 ? ? ? ? ? ? 1 MET A C 8 -ATOM 11197 O O . MET A 1 4 ? 9.452 11.654 -1.586 1.00 0.00 ? ? ? ? ? ? 1 MET A O 8 -ATOM 11198 C CB . MET A 1 4 ? 12.368 12.306 -1.685 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 8 -ATOM 11199 C CG . MET A 1 4 ? 12.848 11.581 -2.934 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 8 -ATOM 11200 S SD . MET A 1 4 ? 14.229 10.460 -2.583 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 8 -ATOM 11201 C CE . MET A 1 4 ? 14.579 9.818 -4.216 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 8 -ATOM 11202 H H . MET A 1 4 ? 10.601 13.194 0.081 1.00 0.00 ? ? ? ? ? ? 1 MET A H 8 -ATOM 11203 H HA . MET A 1 4 ? 11.427 13.986 -2.620 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 8 -ATOM 11204 H HB2 . MET A 1 4 ? 13.191 12.897 -1.317 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 8 -ATOM 11205 H HB3 . MET A 1 4 ? 12.072 11.570 -0.955 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 8 -ATOM 11206 H HG2 . MET A 1 4 ? 12.028 11.010 -3.342 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 8 -ATOM 11207 H HG3 . MET A 1 4 ? 13.175 12.315 -3.654 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 8 -ATOM 11208 H HE1 . MET A 1 4 ? 15.386 9.104 -4.151 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 8 -ATOM 11209 H HE2 . MET A 1 4 ? 14.869 10.629 -4.868 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 8 -ATOM 11210 H HE3 . MET A 1 4 ? 13.698 9.333 -4.610 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 8 -ATOM 11211 N N . ALA A 1 5 ? 9.589 12.680 -3.544 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 8 -ATOM 11212 C CA . ALA A 1 5 ? 8.419 12.043 -4.102 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 8 -ATOM 11213 C C . ALA A 1 5 ? 8.798 10.781 -4.824 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 8 -ATOM 11214 O O . ALA A 1 5 ? 9.701 10.774 -5.672 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 8 -ATOM 11215 C CB . ALA A 1 5 ? 7.661 12.980 -5.025 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 8 -ATOM 11216 H H . ALA A 1 5 ? 10.145 13.282 -4.079 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 8 -ATOM 11217 H HA . ALA A 1 5 ? 7.772 11.783 -3.277 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 8 -ATOM 11218 H HB1 . ALA A 1 5 ? 8.287 13.249 -5.863 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 8 -ATOM 11219 H HB2 . ALA A 1 5 ? 7.371 13.865 -4.481 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 8 -ATOM 11220 H HB3 . ALA A 1 5 ? 6.776 12.474 -5.385 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 8 -ATOM 11221 N N . TYR A 1 6 ? 8.133 9.728 -4.478 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 8 -ATOM 11222 C CA . TYR A 1 6 ? 8.370 8.432 -5.068 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 8 -ATOM 11223 C C . TYR A 1 6 ? 7.250 8.129 -6.044 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 8 -ATOM 11224 O O . TYR A 1 6 ? 6.234 8.832 -6.065 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 8 -ATOM 11225 C CB . TYR A 1 6 ? 8.411 7.331 -3.982 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 8 -ATOM 11226 C CG . TYR A 1 6 ? 9.573 7.393 -2.987 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 8 -ATOM 11227 C CD1 . TYR A 1 6 ? 9.932 8.573 -2.355 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 8 -ATOM 11228 C CD2 . TYR A 1 6 ? 10.276 6.246 -2.649 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 8 -ATOM 11229 C CE1 . TYR A 1 6 ? 10.945 8.617 -1.428 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 8 -ATOM 11230 C CE2 . TYR A 1 6 ? 11.300 6.285 -1.719 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 8 -ATOM 11231 C CZ . TYR A 1 6 ? 11.629 7.471 -1.112 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 8 -ATOM 11232 O OH . TYR A 1 6 ? 12.639 7.512 -0.166 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 8 -ATOM 11233 H H . TYR A 1 6 ? 7.426 9.824 -3.805 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 8 -ATOM 11234 H HA . TYR A 1 6 ? 9.315 8.458 -5.587 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 8 -ATOM 11235 H HB2 . TYR A 1 6 ? 7.500 7.385 -3.404 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 8 -ATOM 11236 H HB3 . TYR A 1 6 ? 8.445 6.372 -4.475 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 8 -ATOM 11237 H HD1 . TYR A 1 6 ? 9.397 9.478 -2.604 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 8 -ATOM 11238 H HD2 . TYR A 1 6 ? 10.018 5.312 -3.127 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 8 -ATOM 11239 H HE1 . TYR A 1 6 ? 11.189 9.557 -0.957 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 8 -ATOM 11240 H HE2 . TYR A 1 6 ? 11.832 5.384 -1.462 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 8 -ATOM 11241 H HH . TYR A 1 6 ? 13.416 6.997 -0.454 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 8 -ATOM 11242 N N . PHE A 1 7 ? 7.437 7.127 -6.851 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 8 -ATOM 11243 C CA . PHE A 1 7 ? 6.412 6.676 -7.765 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 8 -ATOM 11244 C C . PHE A 1 7 ? 5.479 5.749 -7.018 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 8 -ATOM 11245 O O . PHE A 1 7 ? 5.881 5.132 -6.044 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 8 -ATOM 11246 C CB . PHE A 1 7 ? 7.034 5.947 -8.965 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 8 -ATOM 11247 C CG . PHE A 1 7 ? 7.879 6.818 -9.852 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 8 -ATOM 11248 C CD1 . PHE A 1 7 ? 7.290 7.722 -10.722 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 8 -ATOM 11249 C CD2 . PHE A 1 7 ? 9.263 6.724 -9.826 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 8 -ATOM 11250 C CE1 . PHE A 1 7 ? 8.063 8.514 -11.547 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 8 -ATOM 11251 C CE2 . PHE A 1 7 ? 10.040 7.513 -10.646 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 8 -ATOM 11252 C CZ . PHE A 1 7 ? 9.441 8.410 -11.508 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 8 -ATOM 11253 H H . PHE A 1 7 ? 8.300 6.653 -6.833 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 8 -ATOM 11254 H HA . PHE A 1 7 ? 5.860 7.539 -8.111 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 8 -ATOM 11255 H HB2 . PHE A 1 7 ? 7.681 5.173 -8.581 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 8 -ATOM 11256 H HB3 . PHE A 1 7 ? 6.267 5.482 -9.565 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 8 -ATOM 11257 H HD1 . PHE A 1 7 ? 6.213 7.804 -10.751 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 8 -ATOM 11258 H HD2 . PHE A 1 7 ? 9.732 6.023 -9.153 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 8 -ATOM 11259 H HE1 . PHE A 1 7 ? 7.594 9.214 -12.222 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 8 -ATOM 11260 H HE2 . PHE A 1 7 ? 11.116 7.429 -10.615 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 8 -ATOM 11261 H HZ . PHE A 1 7 ? 10.046 9.030 -12.151 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 8 -ATOM 11262 N N . LEU A 1 8 ? 4.256 5.657 -7.448 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 8 -ATOM 11263 C CA . LEU A 1 8 ? 3.289 4.815 -6.786 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 8 -ATOM 11264 C C . LEU A 1 8 ? 2.692 3.864 -7.808 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 8 -ATOM 11265 O O . LEU A 1 8 ? 2.178 4.299 -8.854 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 8 -ATOM 11266 C CB . LEU A 1 8 ? 2.184 5.704 -6.130 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 8 -ATOM 11267 C CG . LEU A 1 8 ? 1.214 5.069 -5.074 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 8 -ATOM 11268 C CD1 . LEU A 1 8 ? 0.321 3.979 -5.642 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 8 -ATOM 11269 C CD2 . LEU A 1 8 ? 1.975 4.550 -3.870 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 8 -ATOM 11270 H H . LEU A 1 8 ? 3.978 6.163 -8.240 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 8 -ATOM 11271 H HA . LEU A 1 8 ? 3.796 4.252 -6.018 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 8 -ATOM 11272 H HB2 . LEU A 1 8 ? 2.684 6.534 -5.655 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 8 -ATOM 11273 H HB3 . LEU A 1 8 ? 1.583 6.106 -6.932 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 8 -ATOM 11274 H HG . LEU A 1 8 ? 0.557 5.852 -4.727 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 8 -ATOM 11275 H HD11 . LEU A 1 8 ? -0.357 4.401 -6.370 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 8 -ATOM 11276 H HD12 . LEU A 1 8 ? -0.228 3.513 -4.838 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 8 -ATOM 11277 H HD13 . LEU A 1 8 ? 0.939 3.232 -6.119 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 8 -ATOM 11278 H HD21 . LEU A 1 8 ? 1.275 4.138 -3.159 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 8 -ATOM 11279 H HD22 . LEU A 1 8 ? 2.525 5.357 -3.409 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 8 -ATOM 11280 H HD23 . LEU A 1 8 ? 2.657 3.775 -4.187 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 8 -ATOM 11281 N N . ASP A 1 9 ? 2.782 2.595 -7.526 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 8 -ATOM 11282 C CA . ASP A 1 9 ? 2.178 1.570 -8.335 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 8 -ATOM 11283 C C . ASP A 1 9 ? 1.497 0.562 -7.473 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 8 -ATOM 11284 O O . ASP A 1 9 ? 1.818 0.404 -6.290 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 8 -ATOM 11285 C CB . ASP A 1 9 ? 3.168 0.854 -9.264 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 8 -ATOM 11286 C CG . ASP A 1 9 ? 3.435 1.589 -10.545 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 8 -ATOM 11287 O OD1 . ASP A 1 9 ? 2.579 1.521 -11.476 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 8 -ATOM 11288 O OD2 . ASP A 1 9 ? 4.490 2.212 -10.679 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 8 -ATOM 11289 H H . ASP A 1 9 ? 3.282 2.306 -6.727 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 8 -ATOM 11290 H HA . ASP A 1 9 ? 1.429 2.057 -8.941 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 8 -ATOM 11291 H HB2 . ASP A 1 9 ? 4.109 0.731 -8.750 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 8 -ATOM 11292 H HB3 . ASP A 1 9 ? 2.773 -0.123 -9.503 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 8 -ATOM 11293 N N . PHE A 1 10 ? 0.554 -0.098 -8.038 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 8 -ATOM 11294 C CA . PHE A 1 10 ? -0.149 -1.137 -7.365 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 8 -ATOM 11295 C C . PHE A 1 10 ? 0.343 -2.448 -7.911 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 8 -ATOM 11296 O O . PHE A 1 10 ? 0.521 -2.575 -9.136 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 8 -ATOM 11297 C CB . PHE A 1 10 ? -1.662 -1.026 -7.620 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 8 -ATOM 11298 C CG . PHE A 1 10 ? -2.274 0.290 -7.222 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 8 -ATOM 11299 C CD1 . PHE A 1 10 ? -2.706 0.502 -5.928 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 8 -ATOM 11300 C CD2 . PHE A 1 10 ? -2.418 1.313 -8.150 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 8 -ATOM 11301 C CE1 . PHE A 1 10 ? -3.268 1.707 -5.562 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 8 -ATOM 11302 C CE2 . PHE A 1 10 ? -2.978 2.519 -7.789 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 8 -ATOM 11303 C CZ . PHE A 1 10 ? -3.404 2.717 -6.493 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 8 -ATOM 11304 H H . PHE A 1 10 ? 0.320 0.113 -8.967 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 8 -ATOM 11305 H HA . PHE A 1 10 ? 0.043 -1.071 -6.306 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 8 -ATOM 11306 H HB2 . PHE A 1 10 ? -1.845 -1.163 -8.676 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 8 -ATOM 11307 H HB3 . PHE A 1 10 ? -2.165 -1.811 -7.075 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 8 -ATOM 11308 H HD1 . PHE A 1 10 ? -2.599 -0.286 -5.199 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 8 -ATOM 11309 H HD2 . PHE A 1 10 ? -2.085 1.157 -9.165 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 8 -ATOM 11310 H HE1 . PHE A 1 10 ? -3.602 1.861 -4.546 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 8 -ATOM 11311 H HE2 . PHE A 1 10 ? -3.083 3.307 -8.520 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 8 -ATOM 11312 H HZ . PHE A 1 10 ? -3.843 3.661 -6.207 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 8 -ATOM 11313 N N . ASP A 1 11 ? 0.613 -3.396 -7.034 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 8 -ATOM 11314 C CA . ASP A 1 11 ? 0.947 -4.756 -7.456 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 8 -ATOM 11315 C C . ASP A 1 11 ? -0.267 -5.268 -8.178 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 8 -ATOM 11316 O O . ASP A 1 11 ? -1.377 -4.942 -7.770 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 8 -ATOM 11317 C CB . ASP A 1 11 ? 1.213 -5.635 -6.226 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 8 -ATOM 11318 C CG . ASP A 1 11 ? 1.597 -7.055 -6.546 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 8 -ATOM 11319 O OD1 . ASP A 1 11 ? 0.705 -7.883 -6.858 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 8 -ATOM 11320 O OD2 . ASP A 1 11 ? 2.798 -7.380 -6.450 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 8 -ATOM 11321 H H . ASP A 1 11 ? 0.578 -3.214 -6.070 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 8 -ATOM 11322 H HA . ASP A 1 11 ? 1.808 -4.735 -8.107 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 8 -ATOM 11323 H HB2 . ASP A 1 11 ? 2.016 -5.199 -5.652 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 8 -ATOM 11324 H HB3 . ASP A 1 11 ? 0.323 -5.651 -5.615 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 8 -ATOM 11325 N N . GLU A 1 12 ? -0.096 -6.024 -9.235 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 8 -ATOM 11326 C CA . GLU A 1 12 ? -1.236 -6.470 -10.015 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 8 -ATOM 11327 C C . GLU A 1 12 ? -2.278 -7.230 -9.192 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 8 -ATOM 11328 O O . GLU A 1 12 ? -3.464 -7.121 -9.468 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 8 -ATOM 11329 C CB . GLU A 1 12 ? -0.836 -7.236 -11.261 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 8 -ATOM 11330 C CG . GLU A 1 12 ? 0.021 -8.448 -11.020 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 8 -ATOM 11331 C CD . GLU A 1 12 ? 0.228 -9.210 -12.283 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 8 -ATOM 11332 O OE1 . GLU A 1 12 ? 0.993 -8.753 -13.146 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 8 -ATOM 11333 O OE2 . GLU A 1 12 ? -0.412 -10.262 -12.461 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 8 -ATOM 11334 H H . GLU A 1 12 ? 0.816 -6.272 -9.497 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 8 -ATOM 11335 H HA . GLU A 1 12 ? -1.725 -5.559 -10.328 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 8 -ATOM 11336 H HB2 . GLU A 1 12 ? -1.733 -7.562 -11.768 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 8 -ATOM 11337 H HB3 . GLU A 1 12 ? -0.299 -6.566 -11.916 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 8 -ATOM 11338 H HG2 . GLU A 1 12 ? 0.980 -8.132 -10.638 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 8 -ATOM 11339 H HG3 . GLU A 1 12 ? -0.468 -9.090 -10.302 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 8 -ATOM 11340 N N . ARG A 1 13 ? -1.853 -7.947 -8.152 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 8 -ATOM 11341 C CA . ARG A 1 13 ? -2.807 -8.635 -7.298 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 8 -ATOM 11342 C C . ARG A 1 13 ? -3.561 -7.635 -6.439 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 8 -ATOM 11343 O O . ARG A 1 13 ? -4.782 -7.747 -6.248 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 8 -ATOM 11344 C CB . ARG A 1 13 ? -2.158 -9.714 -6.436 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 8 -ATOM 11345 C CG . ARG A 1 13 ? -1.729 -10.957 -7.196 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 8 -ATOM 11346 C CD . ARG A 1 13 ? -1.126 -11.980 -6.249 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 8 -ATOM 11347 N NE . ARG A 1 13 ? -0.838 -13.264 -6.909 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 8 -ATOM 11348 C CZ . ARG A 1 13 ? 0.346 -13.887 -6.881 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 8 -ATOM 11349 N NH1 . ARG A 1 13 ? 1.438 -13.224 -6.511 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 8 -ATOM 11350 N NH2 . ARG A 1 13 ? 0.446 -15.143 -7.299 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 8 -ATOM 11351 H H . ARG A 1 13 ? -0.889 -7.976 -7.936 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 8 -ATOM 11352 H HA . ARG A 1 13 ? -3.518 -9.092 -7.967 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 8 -ATOM 11353 H HB2 . ARG A 1 13 ? -1.283 -9.291 -5.966 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 8 -ATOM 11354 H HB3 . ARG A 1 13 ? -2.859 -10.009 -5.668 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 8 -ATOM 11355 H HG2 . ARG A 1 13 ? -2.587 -11.391 -7.686 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 8 -ATOM 11356 H HG3 . ARG A 1 13 ? -0.994 -10.682 -7.937 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 8 -ATOM 11357 H HD2 . ARG A 1 13 ? -0.214 -11.581 -5.835 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 8 -ATOM 11358 H HD3 . ARG A 1 13 ? -1.828 -12.150 -5.446 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 8 -ATOM 11359 H HE . ARG A 1 13 ? -1.624 -13.697 -7.311 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 8 -ATOM 11360 H HH11 . ARG A 1 13 ? 1.397 -12.251 -6.264 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 8 -ATOM 11361 H HH12 . ARG A 1 13 ? 2.335 -13.664 -6.453 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 8 -ATOM 11362 H HH21 . ARG A 1 13 ? -0.352 -15.644 -7.643 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 8 -ATOM 11363 H HH22 . ARG A 1 13 ? 1.317 -15.642 -7.297 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 8 -ATOM 11364 N N . ALA A 1 14 ? -2.837 -6.646 -5.953 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 8 -ATOM 11365 C CA . ALA A 1 14 ? -3.406 -5.581 -5.153 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 8 -ATOM 11366 C C . ALA A 1 14 ? -4.317 -4.703 -5.991 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 8 -ATOM 11367 O O . ALA A 1 14 ? -5.285 -4.175 -5.496 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 8 -ATOM 11368 C CB . ALA A 1 14 ? -2.321 -4.747 -4.516 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 8 -ATOM 11369 H H . ALA A 1 14 ? -1.878 -6.620 -6.159 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 8 -ATOM 11370 H HA . ALA A 1 14 ? -3.991 -6.038 -4.369 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 8 -ATOM 11371 H HB1 . ALA A 1 14 ? -1.733 -4.270 -5.287 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 8 -ATOM 11372 H HB2 . ALA A 1 14 ? -1.684 -5.380 -3.916 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 8 -ATOM 11373 H HB3 . ALA A 1 14 ? -2.771 -3.990 -3.890 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 8 -ATOM 11374 N N . LEU A 1 15 ? -4.000 -4.575 -7.273 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 8 -ATOM 11375 C CA . LEU A 1 15 ? -4.779 -3.754 -8.190 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 8 -ATOM 11376 C C . LEU A 1 15 ? -6.136 -4.386 -8.404 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 8 -ATOM 11377 O O . LEU A 1 15 ? -7.145 -3.697 -8.542 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 8 -ATOM 11378 C CB . LEU A 1 15 ? -4.053 -3.597 -9.525 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 8 -ATOM 11379 C CG . LEU A 1 15 ? -4.722 -2.692 -10.569 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 8 -ATOM 11380 C CD1 . LEU A 1 15 ? -4.854 -1.265 -10.056 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 8 -ATOM 11381 C CD2 . LEU A 1 15 ? -3.941 -2.723 -11.868 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 8 -ATOM 11382 H H . LEU A 1 15 ? -3.196 -5.041 -7.597 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 8 -ATOM 11383 H HA . LEU A 1 15 ? -4.906 -2.783 -7.735 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 8 -ATOM 11384 H HB2 . LEU A 1 15 ? -3.047 -3.250 -9.342 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 8 -ATOM 11385 H HB3 . LEU A 1 15 ? -3.993 -4.586 -9.951 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 8 -ATOM 11386 H HG . LEU A 1 15 ? -5.717 -3.063 -10.764 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 8 -ATOM 11387 H HD11 . LEU A 1 15 ? -5.317 -0.659 -10.821 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 8 -ATOM 11388 H HD12 . LEU A 1 15 ? -3.877 -0.870 -9.822 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 8 -ATOM 11389 H HD13 . LEU A 1 15 ? -5.471 -1.253 -9.169 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 8 -ATOM 11390 H HD21 . LEU A 1 15 ? -2.940 -2.355 -11.697 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 8 -ATOM 11391 H HD22 . LEU A 1 15 ? -4.436 -2.100 -12.598 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 8 -ATOM 11392 H HD23 . LEU A 1 15 ? -3.893 -3.737 -12.236 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 8 -ATOM 11393 N N . LYS A 1 16 ? -6.151 -5.705 -8.408 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 8 -ATOM 11394 C CA . LYS A 1 16 ? -7.379 -6.462 -8.528 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 8 -ATOM 11395 C C . LYS A 1 16 ? -8.250 -6.178 -7.322 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 8 -ATOM 11396 O O . LYS A 1 16 ? -9.444 -5.948 -7.456 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 8 -ATOM 11397 C CB . LYS A 1 16 ? -7.069 -7.950 -8.624 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 8 -ATOM 11398 C CG . LYS A 1 16 ? -6.225 -8.312 -9.829 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 8 -ATOM 11399 C CD . LYS A 1 16 ? -5.672 -9.711 -9.708 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 8 -ATOM 11400 C CE . LYS A 1 16 ? -4.705 -10.039 -10.842 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 8 -ATOM 11401 N NZ . LYS A 1 16 ? -5.347 -10.011 -12.176 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 8 -ATOM 11402 H H . LYS A 1 16 ? -5.297 -6.179 -8.330 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 8 -ATOM 11403 H HA . LYS A 1 16 ? -7.886 -6.140 -9.425 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 8 -ATOM 11404 H HB2 . LYS A 1 16 ? -6.536 -8.248 -7.733 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 8 -ATOM 11405 H HB3 . LYS A 1 16 ? -7.998 -8.496 -8.679 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 8 -ATOM 11406 H HG2 . LYS A 1 16 ? -6.835 -8.253 -10.717 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 8 -ATOM 11407 H HG3 . LYS A 1 16 ? -5.403 -7.614 -9.904 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 8 -ATOM 11408 H HD2 . LYS A 1 16 ? -5.145 -9.765 -8.767 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 8 -ATOM 11409 H HD3 . LYS A 1 16 ? -6.485 -10.422 -9.702 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 8 -ATOM 11410 H HE2 . LYS A 1 16 ? -3.908 -9.310 -10.832 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 8 -ATOM 11411 H HE3 . LYS A 1 16 ? -4.289 -11.019 -10.664 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 8 -ATOM 11412 H HZ1 . LYS A 1 16 ? -6.150 -10.670 -12.225 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 8 -ATOM 11413 H HZ2 . LYS A 1 16 ? -4.671 -10.327 -12.901 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 8 -ATOM 11414 H HZ3 . LYS A 1 16 ? -5.678 -9.067 -12.454 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 8 -ATOM 11415 N N . GLU A 1 17 ? -7.621 -6.150 -6.151 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 8 -ATOM 11416 C CA . GLU A 1 17 ? -8.304 -5.843 -4.909 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 8 -ATOM 11417 C C . GLU A 1 17 ? -8.746 -4.371 -4.870 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 8 -ATOM 11418 O O . GLU A 1 17 ? -9.807 -4.052 -4.385 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 8 -ATOM 11419 C CB . GLU A 1 17 ? -7.393 -6.147 -3.734 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 8 -ATOM 11420 C CG . GLU A 1 17 ? -6.928 -7.583 -3.692 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 8 -ATOM 11421 C CD . GLU A 1 17 ? -8.073 -8.554 -3.591 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 8 -ATOM 11422 O OE1 . GLU A 1 17 ? -8.721 -8.616 -2.524 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 8 -ATOM 11423 O OE2 . GLU A 1 17 ? -8.360 -9.274 -4.582 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 8 -ATOM 11424 H H . GLU A 1 17 ? -6.664 -6.370 -6.110 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 8 -ATOM 11425 H HA . GLU A 1 17 ? -9.170 -6.483 -4.852 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 8 -ATOM 11426 H HB2 . GLU A 1 17 ? -6.525 -5.507 -3.796 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 8 -ATOM 11427 H HB3 . GLU A 1 17 ? -7.923 -5.932 -2.818 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 8 -ATOM 11428 H HG2 . GLU A 1 17 ? -6.390 -7.786 -4.606 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 8 -ATOM 11429 H HG3 . GLU A 1 17 ? -6.267 -7.716 -2.851 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 8 -ATOM 11430 N N . TRP A 1 18 ? -7.921 -3.508 -5.403 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 8 -ATOM 11431 C CA . TRP A 1 18 ? -8.188 -2.074 -5.490 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 8 -ATOM 11432 C C . TRP A 1 18 ? -9.452 -1.808 -6.321 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 8 -ATOM 11433 O O . TRP A 1 18 ? -10.309 -1.019 -5.932 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 8 -ATOM 11434 C CB . TRP A 1 18 ? -6.955 -1.395 -6.115 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 8 -ATOM 11435 C CG . TRP A 1 18 ? -7.073 0.072 -6.370 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 8 -ATOM 11436 C CD1 . TRP A 1 18 ? -7.345 0.670 -7.563 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 8 -ATOM 11437 C CD2 . TRP A 1 18 ? -6.897 1.122 -5.421 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 8 -ATOM 11438 N NE1 . TRP A 1 18 ? -7.363 2.038 -7.410 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 8 -ATOM 11439 C CE2 . TRP A 1 18 ? -7.087 2.339 -6.105 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 8 -ATOM 11440 C CE3 . TRP A 1 18 ? -6.598 1.152 -4.058 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 8 -ATOM 11441 C CZ2 . TRP A 1 18 ? -6.989 3.570 -5.470 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 8 -ATOM 11442 C CZ3 . TRP A 1 18 ? -6.500 2.372 -3.432 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 8 -ATOM 11443 C CH2 . TRP A 1 18 ? -6.693 3.566 -4.135 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 8 -ATOM 11444 H H . TRP A 1 18 ? -7.056 -3.841 -5.728 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 8 -ATOM 11445 H HA . TRP A 1 18 ? -8.339 -1.685 -4.492 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 8 -ATOM 11446 H HB2 . TRP A 1 18 ? -6.105 -1.542 -5.466 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 8 -ATOM 11447 H HB3 . TRP A 1 18 ? -6.754 -1.879 -7.059 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 8 -ATOM 11448 H HD1 . TRP A 1 18 ? -7.517 0.118 -8.477 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 8 -ATOM 11449 H HE1 . TRP A 1 18 ? -7.539 2.687 -8.127 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 8 -ATOM 11450 H HE3 . TRP A 1 18 ? -6.445 0.241 -3.500 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 8 -ATOM 11451 H HZ2 . TRP A 1 18 ? -7.137 4.500 -6.000 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 8 -ATOM 11452 H HZ3 . TRP A 1 18 ? -6.267 2.415 -2.378 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 8 -ATOM 11453 H HH2 . TRP A 1 18 ? -6.605 4.497 -3.595 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 8 -ATOM 11454 N N . ARG A 1 19 ? -9.560 -2.488 -7.450 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 8 -ATOM 11455 C CA . ARG A 1 19 ? -10.726 -2.359 -8.330 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 8 -ATOM 11456 C C . ARG A 1 19 ? -11.931 -3.097 -7.725 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 8 -ATOM 11457 O O . ARG A 1 19 ? -13.083 -2.844 -8.074 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 8 -ATOM 11458 C CB . ARG A 1 19 ? -10.394 -2.897 -9.724 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 8 -ATOM 11459 C CG . ARG A 1 19 ? -9.223 -2.181 -10.393 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 8 -ATOM 11460 C CD . ARG A 1 19 ? -8.860 -2.815 -11.727 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 8 -ATOM 11461 N NE . ARG A 1 19 ? -9.926 -2.665 -12.725 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 8 -ATOM 11462 C CZ . ARG A 1 19 ? -10.047 -3.373 -13.860 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 8 -ATOM 11463 N NH1 . ARG A 1 19 ? -9.202 -4.367 -14.128 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 8 -ATOM 11464 N NH2 . ARG A 1 19 ? -11.024 -3.082 -14.712 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 8 -ATOM 11465 H H . ARG A 1 19 ? -8.820 -3.085 -7.700 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 8 -ATOM 11466 H HA . ARG A 1 19 ? -10.965 -1.308 -8.398 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 8 -ATOM 11467 H HB2 . ARG A 1 19 ? -10.146 -3.944 -9.639 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 8 -ATOM 11468 H HB3 . ARG A 1 19 ? -11.263 -2.790 -10.356 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 8 -ATOM 11469 H HG2 . ARG A 1 19 ? -9.493 -1.148 -10.559 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 8 -ATOM 11470 H HG3 . ARG A 1 19 ? -8.369 -2.227 -9.734 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 8 -ATOM 11471 H HD2 . ARG A 1 19 ? -7.956 -2.360 -12.101 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 8 -ATOM 11472 H HD3 . ARG A 1 19 ? -8.692 -3.866 -11.552 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 8 -ATOM 11473 H HE . ARG A 1 19 ? -10.578 -1.958 -12.521 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 8 -ATOM 11474 H HH11 . ARG A 1 19 ? -8.458 -4.614 -13.504 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 8 -ATOM 11475 H HH12 . ARG A 1 19 ? -9.273 -4.940 -14.951 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 8 -ATOM 11476 H HH21 . ARG A 1 19 ? -11.679 -2.342 -14.534 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 8 -ATOM 11477 H HH22 . ARG A 1 19 ? -11.164 -3.583 -15.570 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 8 -ATOM 11478 N N . LYS A 1 20 ? -11.628 -4.021 -6.844 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 8 -ATOM 11479 C CA . LYS A 1 20 ? -12.602 -4.807 -6.093 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 8 -ATOM 11480 C C . LYS A 1 20 ? -13.233 -3.951 -4.989 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 8 -ATOM 11481 O O . LYS A 1 20 ? -14.353 -4.219 -4.542 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 8 -ATOM 11482 C CB . LYS A 1 20 ? -11.863 -6.004 -5.504 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 8 -ATOM 11483 C CG . LYS A 1 20 ? -12.581 -6.848 -4.483 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 8 -ATOM 11484 C CD . LYS A 1 20 ? -11.617 -7.891 -3.974 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 8 -ATOM 11485 C CE . LYS A 1 20 ? -12.156 -8.699 -2.828 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 8 -ATOM 11486 N NZ . LYS A 1 20 ? -11.161 -9.690 -2.375 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 8 -ATOM 11487 H H . LYS A 1 20 ? -10.677 -4.200 -6.688 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 8 -ATOM 11488 H HA . LYS A 1 20 ? -13.367 -5.160 -6.768 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 8 -ATOM 11489 H HB2 . LYS A 1 20 ? -11.571 -6.656 -6.312 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 8 -ATOM 11490 H HB3 . LYS A 1 20 ? -10.965 -5.615 -5.046 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 8 -ATOM 11491 H HG2 . LYS A 1 20 ? -12.913 -6.222 -3.668 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 8 -ATOM 11492 H HG3 . LYS A 1 20 ? -13.423 -7.338 -4.946 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 8 -ATOM 11493 H HD2 . LYS A 1 20 ? -11.381 -8.565 -4.782 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 8 -ATOM 11494 H HD3 . LYS A 1 20 ? -10.711 -7.396 -3.656 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 8 -ATOM 11495 H HE2 . LYS A 1 20 ? -12.396 -8.034 -2.010 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 8 -ATOM 11496 H HE3 . LYS A 1 20 ? -13.047 -9.219 -3.147 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 8 -ATOM 11497 H HZ1 . LYS A 1 20 ? -11.459 -10.154 -1.493 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 8 -ATOM 11498 H HZ2 . LYS A 1 20 ? -10.228 -9.233 -2.246 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 8 -ATOM 11499 H HZ3 . LYS A 1 20 ? -11.016 -10.417 -3.104 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 8 -ATOM 11500 N N . LEU A 1 21 ? -12.511 -2.938 -4.549 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 8 -ATOM 11501 C CA . LEU A 1 21 ? -13.011 -1.995 -3.575 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 8 -ATOM 11502 C C . LEU A 1 21 ? -14.121 -1.160 -4.176 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 8 -ATOM 11503 O O . LEU A 1 21 ? -14.334 -1.169 -5.396 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 8 -ATOM 11504 C CB . LEU A 1 21 ? -11.884 -1.080 -3.066 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 8 -ATOM 11505 C CG . LEU A 1 21 ? -11.204 -1.450 -1.736 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 8 -ATOM 11506 C CD1 . LEU A 1 21 ? -10.765 -2.895 -1.690 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 8 -ATOM 11507 C CD2 . LEU A 1 21 ? -10.022 -0.544 -1.514 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 8 -ATOM 11508 H H . LEU A 1 21 ? -11.602 -2.809 -4.895 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 8 -ATOM 11509 H HA . LEU A 1 21 ? -13.406 -2.556 -2.743 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 8 -ATOM 11510 H HB2 . LEU A 1 21 ? -11.121 -1.043 -3.829 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 8 -ATOM 11511 H HB3 . LEU A 1 21 ? -12.296 -0.088 -2.965 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 8 -ATOM 11512 H HG . LEU A 1 21 ? -11.885 -1.289 -0.918 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 8 -ATOM 11513 H HD11 . LEU A 1 21 ? -10.063 -3.086 -2.488 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 8 -ATOM 11514 H HD12 . LEU A 1 21 ? -11.634 -3.523 -1.816 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 8 -ATOM 11515 H HD13 . LEU A 1 21 ? -10.301 -3.104 -0.738 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 8 -ATOM 11516 H HD21 . LEU A 1 21 ? -9.317 -0.665 -2.322 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 8 -ATOM 11517 H HD22 . LEU A 1 21 ? -9.549 -0.791 -0.575 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 8 -ATOM 11518 H HD23 . LEU A 1 21 ? -10.370 0.479 -1.489 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 8 -ATOM 11519 N N . GLY A 1 22 ? -14.819 -0.441 -3.337 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 8 -ATOM 11520 C CA . GLY A 1 22 ? -15.899 0.398 -3.811 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 8 -ATOM 11521 C C . GLY A 1 22 ? -15.369 1.682 -4.402 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 8 -ATOM 11522 O O . GLY A 1 22 ? -14.376 1.681 -5.110 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 8 -ATOM 11523 H H . GLY A 1 22 ? -14.582 -0.484 -2.385 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 8 -ATOM 11524 H HA2 . GLY A 1 22 ? -16.455 -0.137 -4.567 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 8 -ATOM 11525 H HA3 . GLY A 1 22 ? -16.559 0.639 -2.991 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 8 -ATOM 11526 N N . SER A 1 23 ? -16.001 2.767 -4.131 1.00 0.00 ? ? ? ? ? ? 20 SER A N 8 -ATOM 11527 C CA . SER A 1 23 ? -15.499 4.015 -4.610 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 8 -ATOM 11528 C C . SER A 1 23 ? -14.899 4.780 -3.448 1.00 0.00 ? ? ? ? ? ? 20 SER A C 8 -ATOM 11529 O O . SER A 1 23 ? -13.694 4.997 -3.394 1.00 0.00 ? ? ? ? ? ? 20 SER A O 8 -ATOM 11530 C CB . SER A 1 23 ? -16.613 4.830 -5.305 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 8 -ATOM 11531 O OG . SER A 1 23 ? -16.093 6.009 -5.914 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 8 -ATOM 11532 H H . SER A 1 23 ? -16.837 2.727 -3.619 1.00 0.00 ? ? ? ? ? ? 20 SER A H 8 -ATOM 11533 H HA . SER A 1 23 ? -14.718 3.802 -5.325 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 8 -ATOM 11534 H HB2 . SER A 1 23 ? -17.081 4.226 -6.068 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 8 -ATOM 11535 H HB3 . SER A 1 23 ? -17.354 5.114 -4.573 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 8 -ATOM 11536 H HG . SER A 1 23 ? -15.880 6.654 -5.210 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 8 -ATOM 11537 N N . THR A 1 24 ? -15.741 5.059 -2.476 1.00 0.00 ? ? ? ? ? ? 21 THR A N 8 -ATOM 11538 C CA . THR A 1 24 ? -15.437 5.895 -1.325 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 8 -ATOM 11539 C C . THR A 1 24 ? -14.157 5.464 -0.587 1.00 0.00 ? ? ? ? ? ? 21 THR A C 8 -ATOM 11540 O O . THR A 1 24 ? -13.329 6.307 -0.224 1.00 0.00 ? ? ? ? ? ? 21 THR A O 8 -ATOM 11541 C CB . THR A 1 24 ? -16.631 5.864 -0.353 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 8 -ATOM 11542 O OG1 . THR A 1 24 ? -17.835 6.125 -1.094 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 8 -ATOM 11543 C CG2 . THR A 1 24 ? -16.488 6.924 0.726 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 8 -ATOM 11544 H H . THR A 1 24 ? -16.642 4.686 -2.534 1.00 0.00 ? ? ? ? ? ? 21 THR A H 8 -ATOM 11545 H HA . THR A 1 24 ? -15.323 6.911 -1.669 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 8 -ATOM 11546 H HB . THR A 1 24 ? -16.688 4.887 0.102 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 8 -ATOM 11547 H HG1 . THR A 1 24 ? -17.732 7.023 -1.446 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 8 -ATOM 11548 H HG21 . THR A 1 24 ? -17.323 6.858 1.408 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 8 -ATOM 11549 H HG22 . THR A 1 24 ? -16.479 7.901 0.267 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 8 -ATOM 11550 H HG23 . THR A 1 24 ? -15.566 6.769 1.267 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 8 -ATOM 11551 N N . VAL A 1 25 ? -13.986 4.166 -0.389 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 8 -ATOM 11552 C CA . VAL A 1 25 ? -12.827 3.670 0.331 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 8 -ATOM 11553 C C . VAL A 1 25 ? -11.544 3.916 -0.456 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 8 -ATOM 11554 O O . VAL A 1 25 ? -10.583 4.472 0.070 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 8 -ATOM 11555 C CB . VAL A 1 25 ? -12.950 2.160 0.617 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 8 -ATOM 11556 C CG1 . VAL A 1 25 ? -11.726 1.663 1.353 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 8 -ATOM 11557 C CG2 . VAL A 1 25 ? -14.205 1.863 1.414 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 8 -ATOM 11558 H H . VAL A 1 25 ? -14.658 3.539 -0.725 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 8 -ATOM 11559 H HA . VAL A 1 25 ? -12.769 4.193 1.274 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 8 -ATOM 11560 H HB . VAL A 1 25 ? -13.012 1.642 -0.328 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 8 -ATOM 11561 H HG11 . VAL A 1 25 ? -11.825 0.605 1.547 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 8 -ATOM 11562 H HG12 . VAL A 1 25 ? -11.630 2.193 2.290 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 8 -ATOM 11563 H HG13 . VAL A 1 25 ? -10.850 1.837 0.748 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 8 -ATOM 11564 H HG21 . VAL A 1 25 ? -15.068 2.193 0.855 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 8 -ATOM 11565 H HG22 . VAL A 1 25 ? -14.162 2.378 2.361 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 8 -ATOM 11566 H HG23 . VAL A 1 25 ? -14.275 0.799 1.585 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 8 -ATOM 11567 N N . ARG A 1 26 ? -11.563 3.562 -1.722 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 8 -ATOM 11568 C CA . ARG A 1 26 ? -10.401 3.731 -2.555 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 8 -ATOM 11569 C C . ARG A 1 26 ? -10.086 5.186 -2.836 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 8 -ATOM 11570 O O . ARG A 1 26 ? -8.930 5.543 -2.959 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 8 -ATOM 11571 C CB . ARG A 1 26 ? -10.389 2.873 -3.800 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 8 -ATOM 11572 C CG . ARG A 1 26 ? -11.611 2.939 -4.658 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 8 -ATOM 11573 C CD . ARG A 1 26 ? -11.241 2.461 -6.041 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 8 -ATOM 11574 N NE . ARG A 1 26 ? -12.395 2.200 -6.893 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 8 -ATOM 11575 C CZ . ARG A 1 26 ? -12.347 2.131 -8.227 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 8 -ATOM 11576 N NH1 . ARG A 1 26 ? -11.249 2.492 -8.880 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 8 -ATOM 11577 N NH2 . ARG A 1 26 ? -13.400 1.716 -8.909 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 8 -ATOM 11578 H H . ARG A 1 26 ? -12.384 3.200 -2.107 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 8 -ATOM 11579 H HA . ARG A 1 26 ? -9.594 3.404 -1.916 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 8 -ATOM 11580 H HB2 . ARG A 1 26 ? -9.545 3.152 -4.410 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 8 -ATOM 11581 H HB3 . ARG A 1 26 ? -10.265 1.840 -3.500 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 8 -ATOM 11582 H HG2 . ARG A 1 26 ? -12.326 2.252 -4.226 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 8 -ATOM 11583 H HG3 . ARG A 1 26 ? -12.045 3.931 -4.662 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 8 -ATOM 11584 H HD2 . ARG A 1 26 ? -10.622 3.225 -6.489 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 8 -ATOM 11585 H HD3 . ARG A 1 26 ? -10.661 1.555 -5.943 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 8 -ATOM 11586 H HE . ARG A 1 26 ? -13.220 1.989 -6.390 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 8 -ATOM 11587 H HH11 . ARG A 1 26 ? -10.426 2.826 -8.416 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 8 -ATOM 11588 H HH12 . ARG A 1 26 ? -11.197 2.447 -9.880 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 8 -ATOM 11589 H HH21 . ARG A 1 26 ? -14.253 1.437 -8.461 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 8 -ATOM 11590 H HH22 . ARG A 1 26 ? -13.385 1.644 -9.911 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 8 -ATOM 11591 N N . GLU A 1 27 ? -11.120 6.013 -2.945 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 8 -ATOM 11592 C CA . GLU A 1 27 ? -10.947 7.453 -3.124 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 8 -ATOM 11593 C C . GLU A 1 27 ? -10.100 8.014 -1.994 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 8 -ATOM 11594 O O . GLU A 1 27 ? -9.133 8.741 -2.226 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 8 -ATOM 11595 C CB . GLU A 1 27 ? -12.311 8.145 -3.115 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 8 -ATOM 11596 C CG . GLU A 1 27 ? -13.120 7.961 -4.382 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 8 -ATOM 11597 C CD . GLU A 1 27 ? -14.486 8.586 -4.289 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 8 -ATOM 11598 O OE1 . GLU A 1 27 ? -14.590 9.834 -4.332 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 8 -ATOM 11599 O OE2 . GLU A 1 27 ? -15.483 7.846 -4.184 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 8 -ATOM 11600 H H . GLU A 1 27 ? -12.035 5.653 -2.928 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 8 -ATOM 11601 H HA . GLU A 1 27 ? -10.463 7.634 -4.071 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 8 -ATOM 11602 H HB2 . GLU A 1 27 ? -12.877 7.703 -2.307 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 8 -ATOM 11603 H HB3 . GLU A 1 27 ? -12.199 9.196 -2.900 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 8 -ATOM 11604 H HG2 . GLU A 1 27 ? -12.584 8.416 -5.203 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 8 -ATOM 11605 H HG3 . GLU A 1 27 ? -13.234 6.904 -4.571 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 8 -ATOM 11606 N N . GLN A 1 28 ? -10.429 7.610 -0.789 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 8 -ATOM 11607 C CA . GLN A 1 28 ? -9.711 8.055 0.393 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 8 -ATOM 11608 C C . GLN A 1 28 ? -8.308 7.440 0.446 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 8 -ATOM 11609 O O . GLN A 1 28 ? -7.341 8.116 0.802 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 8 -ATOM 11610 C CB . GLN A 1 28 ? -10.517 7.750 1.657 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 8 -ATOM 11611 C CG . GLN A 1 28 ? -11.812 8.542 1.749 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 8 -ATOM 11612 C CD . GLN A 1 28 ? -12.723 8.072 2.856 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 8 -ATOM 11613 O OE1 . GLN A 1 28 ? -12.650 8.541 4.003 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 8 -ATOM 11614 N NE2 . GLN A 1 28 ? -13.592 7.164 2.523 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 8 -ATOM 11615 H H . GLN A 1 28 ? -11.179 6.980 -0.716 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 8 -ATOM 11616 H HA . GLN A 1 28 ? -9.595 9.125 0.302 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 8 -ATOM 11617 H HB2 . GLN A 1 28 ? -10.751 6.697 1.690 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 8 -ATOM 11618 H HB3 . GLN A 1 28 ? -9.913 8.012 2.512 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 8 -ATOM 11619 H HG2 . GLN A 1 28 ? -11.564 9.573 1.944 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 8 -ATOM 11620 H HG3 . GLN A 1 28 ? -12.336 8.467 0.807 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 8 -ATOM 11621 H HE21 . GLN A 1 28 ? -13.560 6.882 1.579 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 8 -ATOM 11622 H HE22 . GLN A 1 28 ? -14.228 6.828 3.187 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 8 -ATOM 11623 N N . LEU A 1 29 ? -8.199 6.174 0.057 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 8 -ATOM 11624 C CA . LEU A 1 29 ? -6.908 5.482 0.024 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 8 -ATOM 11625 C C . LEU A 1 29 ? -5.956 6.129 -0.978 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 8 -ATOM 11626 O O . LEU A 1 29 ? -4.790 6.342 -0.671 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 8 -ATOM 11627 C CB . LEU A 1 29 ? -7.076 3.999 -0.305 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 8 -ATOM 11628 C CG . LEU A 1 29 ? -7.773 3.125 0.749 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 8 -ATOM 11629 C CD1 . LEU A 1 29 ? -7.950 1.723 0.221 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 8 -ATOM 11630 C CD2 . LEU A 1 29 ? -6.964 3.086 2.034 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 8 -ATOM 11631 H H . LEU A 1 29 ? -9.011 5.691 -0.207 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 8 -ATOM 11632 H HA . LEU A 1 29 ? -6.469 5.573 1.006 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 8 -ATOM 11633 H HB2 . LEU A 1 29 ? -7.634 3.945 -1.227 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 8 -ATOM 11634 H HB3 . LEU A 1 29 ? -6.092 3.592 -0.483 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 8 -ATOM 11635 H HG . LEU A 1 29 ? -8.757 3.512 0.972 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 8 -ATOM 11636 H HD11 . LEU A 1 29 ? -6.985 1.292 -0.002 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 8 -ATOM 11637 H HD12 . LEU A 1 29 ? -8.547 1.751 -0.679 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 8 -ATOM 11638 H HD13 . LEU A 1 29 ? -8.449 1.122 0.965 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 8 -ATOM 11639 H HD21 . LEU A 1 29 ? -5.983 2.683 1.827 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 8 -ATOM 11640 H HD22 . LEU A 1 29 ? -7.463 2.452 2.751 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 8 -ATOM 11641 H HD23 . LEU A 1 29 ? -6.865 4.082 2.439 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 8 -ATOM 11642 N N . LYS A 1 30 ? -6.469 6.456 -2.162 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 8 -ATOM 11643 C CA . LYS A 1 30 ? -5.679 7.098 -3.208 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 8 -ATOM 11644 C C . LYS A 1 30 ? -5.112 8.422 -2.707 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 8 -ATOM 11645 O O . LYS A 1 30 ? -3.947 8.748 -2.944 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 8 -ATOM 11646 C CB . LYS A 1 30 ? -6.539 7.362 -4.439 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 8 -ATOM 11647 C CG . LYS A 1 30 ? -5.764 7.985 -5.593 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 8 -ATOM 11648 C CD . LYS A 1 30 ? -6.674 8.437 -6.722 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 8 -ATOM 11649 C CE . LYS A 1 30 ? -7.480 9.667 -6.324 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 8 -ATOM 11650 N NZ . LYS A 1 30 ? -8.420 10.065 -7.378 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 8 -ATOM 11651 H H . LYS A 1 30 ? -7.410 6.235 -2.351 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 8 -ATOM 11652 H HA . LYS A 1 30 ? -4.866 6.441 -3.480 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 8 -ATOM 11653 H HB2 . LYS A 1 30 ? -6.956 6.421 -4.771 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 8 -ATOM 11654 H HB3 . LYS A 1 30 ? -7.345 8.021 -4.155 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 8 -ATOM 11655 H HG2 . LYS A 1 30 ? -5.247 8.846 -5.196 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 8 -ATOM 11656 H HG3 . LYS A 1 30 ? -5.048 7.266 -5.965 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 8 -ATOM 11657 H HD2 . LYS A 1 30 ? -6.074 8.675 -7.588 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 8 -ATOM 11658 H HD3 . LYS A 1 30 ? -7.356 7.636 -6.963 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 8 -ATOM 11659 H HE2 . LYS A 1 30 ? -8.039 9.458 -5.425 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 8 -ATOM 11660 H HE3 . LYS A 1 30 ? -6.792 10.481 -6.140 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 8 -ATOM 11661 H HZ1 . LYS A 1 30 ? -7.939 10.209 -8.288 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 8 -ATOM 11662 H HZ2 . LYS A 1 30 ? -8.889 10.964 -7.149 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 8 -ATOM 11663 H HZ3 . LYS A 1 30 ? -9.153 9.344 -7.518 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 8 -ATOM 11664 N N . LYS A 1 31 ? -5.947 9.172 -2.019 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 8 -ATOM 11665 C CA . LYS A 1 31 ? -5.551 10.446 -1.451 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 8 -ATOM 11666 C C . LYS A 1 31 ? -4.455 10.265 -0.414 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 8 -ATOM 11667 O O . LYS A 1 31 ? -3.523 11.060 -0.345 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 8 -ATOM 11668 C CB . LYS A 1 31 ? -6.748 11.185 -0.879 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 8 -ATOM 11669 C CG . LYS A 1 31 ? -7.775 11.522 -1.934 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 8 -ATOM 11670 C CD . LYS A 1 31 ? -8.953 12.255 -1.357 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 8 -ATOM 11671 C CE . LYS A 1 31 ? -9.984 12.517 -2.420 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 8 -ATOM 11672 N NZ . LYS A 1 31 ? -11.137 13.283 -1.914 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 8 -ATOM 11673 H H . LYS A 1 31 ? -6.866 8.846 -1.907 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 8 -ATOM 11674 H HA . LYS A 1 31 ? -5.152 11.023 -2.272 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 8 -ATOM 11675 H HB2 . LYS A 1 31 ? -7.216 10.570 -0.124 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 8 -ATOM 11676 H HB3 . LYS A 1 31 ? -6.410 12.108 -0.432 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 8 -ATOM 11677 H HG2 . LYS A 1 31 ? -7.313 12.141 -2.689 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 8 -ATOM 11678 H HG3 . LYS A 1 31 ? -8.118 10.602 -2.386 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 8 -ATOM 11679 H HD2 . LYS A 1 31 ? -9.393 11.656 -0.573 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 8 -ATOM 11680 H HD3 . LYS A 1 31 ? -8.612 13.197 -0.955 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 8 -ATOM 11681 H HE2 . LYS A 1 31 ? -9.511 13.077 -3.212 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 8 -ATOM 11682 H HE3 . LYS A 1 31 ? -10.323 11.566 -2.805 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 8 -ATOM 11683 H HZ1 . LYS A 1 31 ? -11.580 12.811 -1.101 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 8 -ATOM 11684 H HZ2 . LYS A 1 31 ? -11.865 13.347 -2.655 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 8 -ATOM 11685 H HZ3 . LYS A 1 31 ? -10.878 14.249 -1.630 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 8 -ATOM 11686 N N . LYS A 1 32 ? -4.550 9.193 0.356 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 8 -ATOM 11687 C CA . LYS A 1 32 ? -3.517 8.844 1.323 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 8 -ATOM 11688 C C . LYS A 1 32 ? -2.205 8.514 0.642 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 8 -ATOM 11689 O O . LYS A 1 32 ? -1.136 8.868 1.125 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 8 -ATOM 11690 C CB . LYS A 1 32 ? -3.955 7.695 2.229 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 8 -ATOM 11691 C CG . LYS A 1 32 ? -4.455 8.151 3.583 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 8 -ATOM 11692 C CD . LYS A 1 32 ? -5.655 9.061 3.486 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 8 -ATOM 11693 C CE . LYS A 1 32 ? -5.952 9.675 4.828 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 8 -ATOM 11694 N NZ . LYS A 1 32 ? -4.860 10.583 5.263 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 8 -ATOM 11695 H H . LYS A 1 32 ? -5.349 8.628 0.274 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 8 -ATOM 11696 H HA . LYS A 1 32 ? -3.359 9.717 1.937 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 8 -ATOM 11697 H HB2 . LYS A 1 32 ? -4.752 7.153 1.742 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 8 -ATOM 11698 H HB3 . LYS A 1 32 ? -3.118 7.030 2.380 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 8 -ATOM 11699 H HG2 . LYS A 1 32 ? -4.738 7.286 4.163 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 8 -ATOM 11700 H HG3 . LYS A 1 32 ? -3.658 8.674 4.087 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 8 -ATOM 11701 H HD2 . LYS A 1 32 ? -5.449 9.845 2.771 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 8 -ATOM 11702 H HD3 . LYS A 1 32 ? -6.509 8.487 3.160 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 8 -ATOM 11703 H HE2 . LYS A 1 32 ? -6.894 10.200 4.805 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 8 -ATOM 11704 H HE3 . LYS A 1 32 ? -6.001 8.848 5.524 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 8 -ATOM 11705 H HZ1 . LYS A 1 32 ? -3.996 10.048 5.477 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 8 -ATOM 11706 H HZ2 . LYS A 1 32 ? -5.121 11.126 6.110 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 8 -ATOM 11707 H HZ3 . LYS A 1 32 ? -4.622 11.263 4.506 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 8 -ATOM 11708 N N . LEU A 1 33 ? -2.296 7.863 -0.482 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 8 -ATOM 11709 C CA . LEU A 1 33 ? -1.132 7.498 -1.251 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 8 -ATOM 11710 C C . LEU A 1 33 ? -0.459 8.737 -1.840 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 8 -ATOM 11711 O O . LEU A 1 33 ? 0.757 8.894 -1.748 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 8 -ATOM 11712 C CB . LEU A 1 33 ? -1.521 6.518 -2.357 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 8 -ATOM 11713 C CG . LEU A 1 33 ? -2.168 5.211 -1.884 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 8 -ATOM 11714 C CD1 . LEU A 1 33 ? -2.590 4.359 -3.061 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 8 -ATOM 11715 C CD2 . LEU A 1 33 ? -1.225 4.439 -0.971 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 8 -ATOM 11716 H H . LEU A 1 33 ? -3.189 7.600 -0.798 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 8 -ATOM 11717 H HA . LEU A 1 33 ? -0.432 7.010 -0.590 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 8 -ATOM 11718 H HB2 . LEU A 1 33 ? -2.211 7.017 -3.021 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 8 -ATOM 11719 H HB3 . LEU A 1 33 ? -0.630 6.270 -2.914 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 8 -ATOM 11720 H HG . LEU A 1 33 ? -3.058 5.452 -1.321 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 8 -ATOM 11721 H HD11 . LEU A 1 33 ? -1.726 4.119 -3.661 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 8 -ATOM 11722 H HD12 . LEU A 1 33 ? -3.304 4.902 -3.662 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 8 -ATOM 11723 H HD13 . LEU A 1 33 ? -3.042 3.447 -2.700 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 8 -ATOM 11724 H HD21 . LEU A 1 33 ? -0.303 4.234 -1.494 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 8 -ATOM 11725 H HD22 . LEU A 1 33 ? -1.691 3.509 -0.682 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 8 -ATOM 11726 H HD23 . LEU A 1 33 ? -1.020 5.026 -0.087 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 8 -ATOM 11727 N N . VAL A 1 34 ? -1.251 9.633 -2.405 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 8 -ATOM 11728 C CA . VAL A 1 34 ? -0.696 10.820 -3.031 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 8 -ATOM 11729 C C . VAL A 1 34 ? -0.086 11.786 -1.990 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 8 -ATOM 11730 O O . VAL A 1 34 ? 0.935 12.420 -2.261 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 8 -ATOM 11731 C CB . VAL A 1 34 ? -1.713 11.544 -3.984 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 8 -ATOM 11732 C CG1 . VAL A 1 34 ? -2.858 12.192 -3.235 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 8 -ATOM 11733 C CG2 . VAL A 1 34 ? -1.014 12.550 -4.885 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 8 -ATOM 11734 H H . VAL A 1 34 ? -2.221 9.472 -2.407 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 8 -ATOM 11735 H HA . VAL A 1 34 ? 0.132 10.462 -3.625 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 8 -ATOM 11736 H HB . VAL A 1 34 ? -2.147 10.784 -4.617 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 8 -ATOM 11737 H HG11 . VAL A 1 34 ? -2.476 12.982 -2.606 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 8 -ATOM 11738 H HG12 . VAL A 1 34 ? -3.313 11.444 -2.605 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 8 -ATOM 11739 H HG13 . VAL A 1 34 ? -3.584 12.588 -3.929 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 8 -ATOM 11740 H HG21 . VAL A 1 34 ? -0.512 13.291 -4.280 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 8 -ATOM 11741 H HG22 . VAL A 1 34 ? -1.758 13.034 -5.502 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 8 -ATOM 11742 H HG23 . VAL A 1 34 ? -0.298 12.041 -5.512 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 8 -ATOM 11743 N N . GLU A 1 35 ? -0.698 11.898 -0.804 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 8 -ATOM 11744 C CA . GLU A 1 35 ? -0.137 12.743 0.251 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 8 -ATOM 11745 C C . GLU A 1 35 ? 1.172 12.145 0.794 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 8 -ATOM 11746 O O . GLU A 1 35 ? 2.192 12.842 0.918 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 8 -ATOM 11747 C CB . GLU A 1 35 ? -1.149 13.012 1.403 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 8 -ATOM 11748 C CG . GLU A 1 35 ? -1.647 11.761 2.107 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 8 -ATOM 11749 C CD . GLU A 1 35 ? -2.504 12.026 3.320 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 8 -ATOM 11750 O OE1 . GLU A 1 35 ? -3.747 12.125 3.204 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 8 -ATOM 11751 O OE2 . GLU A 1 35 ? -1.960 12.102 4.433 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 8 -ATOM 11752 H H . GLU A 1 35 ? -1.543 11.421 -0.642 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 8 -ATOM 11753 H HA . GLU A 1 35 ? 0.110 13.682 -0.224 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 8 -ATOM 11754 H HB2 . GLU A 1 35 ? -0.685 13.646 2.142 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 8 -ATOM 11755 H HB3 . GLU A 1 35 ? -2.005 13.527 0.992 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 8 -ATOM 11756 H HG2 . GLU A 1 35 ? -2.227 11.198 1.392 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 8 -ATOM 11757 H HG3 . GLU A 1 35 ? -0.789 11.174 2.399 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 8 -ATOM 11758 N N . VAL A 1 36 ? 1.155 10.836 1.039 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 8 -ATOM 11759 C CA . VAL A 1 36 ? 2.267 10.140 1.655 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 8 -ATOM 11760 C C . VAL A 1 36 ? 3.525 10.205 0.785 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 8 -ATOM 11761 O O . VAL A 1 36 ? 4.617 10.247 1.299 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 8 -ATOM 11762 C CB . VAL A 1 36 ? 1.923 8.672 2.074 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 8 -ATOM 11763 C CG1 . VAL A 1 36 ? 1.944 7.689 0.912 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 8 -ATOM 11764 C CG2 . VAL A 1 36 ? 2.799 8.212 3.222 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 8 -ATOM 11765 H H . VAL A 1 36 ? 0.355 10.317 0.806 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 8 -ATOM 11766 H HA . VAL A 1 36 ? 2.492 10.704 2.549 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 8 -ATOM 11767 H HB . VAL A 1 36 ? 0.903 8.692 2.431 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 8 -ATOM 11768 H HG11 . VAL A 1 36 ? 2.936 7.659 0.486 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 8 -ATOM 11769 H HG12 . VAL A 1 36 ? 1.246 8.018 0.157 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 8 -ATOM 11770 H HG13 . VAL A 1 36 ? 1.668 6.704 1.260 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 8 -ATOM 11771 H HG21 . VAL A 1 36 ? 2.587 7.179 3.458 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 8 -ATOM 11772 H HG22 . VAL A 1 36 ? 2.601 8.826 4.089 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 8 -ATOM 11773 H HG23 . VAL A 1 36 ? 3.834 8.320 2.941 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 8 -ATOM 11774 N N . LEU A 1 37 ? 3.338 10.264 -0.535 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 8 -ATOM 11775 C CA . LEU A 1 37 ? 4.435 10.283 -1.513 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 8 -ATOM 11776 C C . LEU A 1 37 ? 5.472 11.370 -1.282 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 8 -ATOM 11777 O O . LEU A 1 37 ? 6.595 11.202 -1.725 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 8 -ATOM 11778 C CB . LEU A 1 37 ? 3.930 10.376 -2.954 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 8 -ATOM 11779 C CG . LEU A 1 37 ? 3.221 9.155 -3.522 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 8 -ATOM 11780 C CD1 . LEU A 1 37 ? 2.774 9.439 -4.946 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 8 -ATOM 11781 C CD2 . LEU A 1 37 ? 4.138 7.935 -3.482 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 8 -ATOM 11782 H H . LEU A 1 37 ? 2.414 10.268 -0.864 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 8 -ATOM 11783 H HA . LEU A 1 37 ? 4.962 9.344 -1.418 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 8 -ATOM 11784 H HB2 . LEU A 1 37 ? 3.245 11.210 -3.008 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 8 -ATOM 11785 H HB3 . LEU A 1 37 ? 4.776 10.598 -3.587 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 8 -ATOM 11786 H HG . LEU A 1 37 ? 2.342 8.945 -2.930 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 8 -ATOM 11787 H HD11 . LEU A 1 37 ? 3.640 9.664 -5.552 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 8 -ATOM 11788 H HD12 . LEU A 1 37 ? 2.111 10.291 -4.947 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 8 -ATOM 11789 H HD13 . LEU A 1 37 ? 2.260 8.580 -5.350 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 8 -ATOM 11790 H HD21 . LEU A 1 37 ? 3.634 7.091 -3.925 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 8 -ATOM 11791 H HD22 . LEU A 1 37 ? 4.384 7.698 -2.458 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 8 -ATOM 11792 H HD23 . LEU A 1 37 ? 5.041 8.146 -4.035 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 8 -ATOM 11793 N N . GLU A 1 38 ? 5.114 12.483 -0.629 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 8 -ATOM 11794 C CA . GLU A 1 38 ? 6.118 13.530 -0.372 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 8 -ATOM 11795 C C . GLU A 1 38 ? 7.230 13.018 0.569 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 8 -ATOM 11796 O O . GLU A 1 38 ? 8.367 13.485 0.518 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 8 -ATOM 11797 C CB . GLU A 1 38 ? 5.500 14.804 0.198 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 8 -ATOM 11798 C CG . GLU A 1 38 ? 4.734 14.593 1.483 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 8 -ATOM 11799 C CD . GLU A 1 38 ? 4.384 15.877 2.155 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 8 -ATOM 11800 O OE1 . GLU A 1 38 ? 3.397 16.528 1.768 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 8 -ATOM 11801 O OE2 . GLU A 1 38 ? 5.093 16.250 3.109 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 8 -ATOM 11802 H H . GLU A 1 38 ? 4.187 12.600 -0.320 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 8 -ATOM 11803 H HA . GLU A 1 38 ? 6.579 13.754 -1.324 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 8 -ATOM 11804 H HB2 . GLU A 1 38 ? 6.292 15.510 0.394 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 8 -ATOM 11805 H HB3 . GLU A 1 38 ? 4.830 15.229 -0.534 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 8 -ATOM 11806 H HG2 . GLU A 1 38 ? 3.822 14.059 1.260 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 8 -ATOM 11807 H HG3 . GLU A 1 38 ? 5.341 14.001 2.153 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 8 -ATOM 11808 N N . SER A 1 39 ? 6.876 12.078 1.426 1.00 0.00 ? ? ? ? ? ? 36 SER A N 8 -ATOM 11809 C CA . SER A 1 39 ? 7.793 11.433 2.352 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 8 -ATOM 11810 C C . SER A 1 39 ? 7.176 10.112 2.803 1.00 0.00 ? ? ? ? ? ? 36 SER A C 8 -ATOM 11811 O O . SER A 1 39 ? 6.583 10.044 3.851 1.00 0.00 ? ? ? ? ? ? 36 SER A O 8 -ATOM 11812 C CB . SER A 1 39 ? 8.130 12.341 3.572 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 8 -ATOM 11813 O OG . SER A 1 39 ? 8.738 13.584 3.181 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 8 -ATOM 11814 H H . SER A 1 39 ? 5.946 11.760 1.426 1.00 0.00 ? ? ? ? ? ? 36 SER A H 8 -ATOM 11815 H HA . SER A 1 39 ? 8.695 11.165 1.832 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 8 -ATOM 11816 H HB2 . SER A 1 39 ? 7.212 12.568 4.090 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 8 -ATOM 11817 H HB3 . SER A 1 39 ? 8.799 11.815 4.236 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 8 -ATOM 11818 H HG . SER A 1 39 ? 8.983 13.472 2.250 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 8 -ATOM 11819 N N . PRO A 1 40 ? 7.230 9.056 1.944 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 8 -ATOM 11820 C CA . PRO A 1 40 ? 6.600 7.763 2.237 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 8 -ATOM 11821 C C . PRO A 1 40 ? 7.472 6.838 3.064 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 8 -ATOM 11822 O O . PRO A 1 40 ? 7.057 5.745 3.436 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 8 -ATOM 11823 C CB . PRO A 1 40 ? 6.351 7.180 0.851 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 8 -ATOM 11824 C CG . PRO A 1 40 ? 7.457 7.721 0.014 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 8 -ATOM 11825 C CD . PRO A 1 40 ? 7.827 9.072 0.592 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 8 -ATOM 11826 H HA . PRO A 1 40 ? 5.661 7.888 2.747 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 8 -ATOM 11827 H HB2 . PRO A 1 40 ? 6.376 6.101 0.902 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 8 -ATOM 11828 H HB3 . PRO A 1 40 ? 5.388 7.507 0.487 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 8 -ATOM 11829 H HG2 . PRO A 1 40 ? 8.307 7.054 0.053 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 8 -ATOM 11830 H HG3 . PRO A 1 40 ? 7.123 7.831 -1.007 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 8 -ATOM 11831 H HD2 . PRO A 1 40 ? 8.899 9.198 0.641 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 8 -ATOM 11832 H HD3 . PRO A 1 40 ? 7.377 9.859 0.004 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 8 -ATOM 11833 N N . ARG A 1 41 ? 8.654 7.289 3.380 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 8 -ATOM 11834 C CA . ARG A 1 41 ? 9.598 6.519 4.174 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 8 -ATOM 11835 C C . ARG A 1 41 ? 9.313 6.685 5.681 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 8 -ATOM 11836 O O . ARG A 1 41 ? 10.210 6.657 6.507 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 8 -ATOM 11837 C CB . ARG A 1 41 ? 11.060 6.891 3.771 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 8 -ATOM 11838 C CG . ARG A 1 41 ? 11.426 8.393 3.786 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 8 -ATOM 11839 C CD . ARG A 1 41 ? 11.654 8.944 5.183 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 8 -ATOM 11840 N NE . ARG A 1 41 ? 12.821 8.308 5.824 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 8 -ATOM 11841 C CZ . ARG A 1 41 ? 13.019 8.159 7.153 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 8 -ATOM 11842 N NH1 . ARG A 1 41 ? 12.075 8.518 8.040 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 8 -ATOM 11843 N NH2 . ARG A 1 41 ? 14.153 7.621 7.582 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 8 -ATOM 11844 H H . ARG A 1 41 ? 8.886 8.185 3.061 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 8 -ATOM 11845 H HA . ARG A 1 41 ? 9.424 5.481 3.929 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 8 -ATOM 11846 H HB2 . ARG A 1 41 ? 11.735 6.390 4.447 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 8 -ATOM 11847 H HB3 . ARG A 1 41 ? 11.237 6.512 2.775 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 8 -ATOM 11848 H HG2 . ARG A 1 41 ? 12.342 8.517 3.229 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 8 -ATOM 11849 H HG3 . ARG A 1 41 ? 10.638 8.951 3.302 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 8 -ATOM 11850 H HD2 . ARG A 1 41 ? 11.806 10.012 5.114 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 8 -ATOM 11851 H HD3 . ARG A 1 41 ? 10.771 8.738 5.770 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 8 -ATOM 11852 H HE . ARG A 1 41 ? 13.508 7.992 5.193 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 8 -ATOM 11853 H HH11 . ARG A 1 41 ? 11.199 8.908 7.740 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 8 -ATOM 11854 H HH12 . ARG A 1 41 ? 12.190 8.400 9.037 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 8 -ATOM 11855 H HH21 . ARG A 1 41 ? 14.866 7.317 6.944 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 8 -ATOM 11856 H HH22 . ARG A 1 41 ? 14.371 7.496 8.553 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 8 -ATOM 11857 N N . ILE A 1 42 ? 8.047 6.679 6.024 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 8 -ATOM 11858 C CA . ILE A 1 42 ? 7.614 6.955 7.372 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 8 -ATOM 11859 C C . ILE A 1 42 ? 7.754 5.716 8.235 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 8 -ATOM 11860 O O . ILE A 1 42 ? 6.938 4.794 8.202 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 8 -ATOM 11861 C CB . ILE A 1 42 ? 6.154 7.489 7.394 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 8 -ATOM 11862 C CG1 . ILE A 1 42 ? 6.094 8.750 6.535 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 8 -ATOM 11863 C CG2 . ILE A 1 42 ? 5.698 7.787 8.827 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 8 -ATOM 11864 C CD1 . ILE A 1 42 ? 4.721 9.338 6.327 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 8 -ATOM 11865 H H . ILE A 1 42 ? 7.389 6.456 5.330 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 8 -ATOM 11866 H HA . ILE A 1 42 ? 8.265 7.720 7.766 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 8 -ATOM 11867 H HB . ILE A 1 42 ? 5.500 6.745 6.965 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 8 -ATOM 11868 H HG12 . ILE A 1 42 ? 6.700 9.515 6.996 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 8 -ATOM 11869 H HG13 . ILE A 1 42 ? 6.510 8.523 5.565 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 8 -ATOM 11870 H HG21 . ILE A 1 42 ? 5.760 6.885 9.419 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 8 -ATOM 11871 H HG22 . ILE A 1 42 ? 4.676 8.138 8.814 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 8 -ATOM 11872 H HG23 . ILE A 1 42 ? 6.331 8.546 9.258 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 8 -ATOM 11873 H HD11 . ILE A 1 42 ? 4.072 8.591 5.894 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 8 -ATOM 11874 H HD12 . ILE A 1 42 ? 4.841 10.148 5.620 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 8 -ATOM 11875 H HD13 . ILE A 1 42 ? 4.320 9.705 7.260 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 8 -ATOM 11876 N N . GLU A 1 43 ? 8.824 5.739 8.993 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 8 -ATOM 11877 C CA . GLU A 1 43 ? 9.275 4.687 9.896 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 8 -ATOM 11878 C C . GLU A 1 43 ? 8.203 4.289 10.914 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 8 -ATOM 11879 O O . GLU A 1 43 ? 8.150 3.141 11.363 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 8 -ATOM 11880 C CB . GLU A 1 43 ? 10.545 5.191 10.584 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 8 -ATOM 11881 C CG . GLU A 1 43 ? 10.360 6.550 11.257 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 8 -ATOM 11882 C CD . GLU A 1 43 ? 11.648 7.197 11.662 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 8 -ATOM 11883 O OE1 . GLU A 1 43 ? 12.133 6.946 12.787 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 8 -ATOM 11884 O OE2 . GLU A 1 43 ? 12.197 7.992 10.861 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 8 -ATOM 11885 H H . GLU A 1 43 ? 9.384 6.541 8.925 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 8 -ATOM 11886 H HA . GLU A 1 43 ? 9.538 3.823 9.304 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 8 -ATOM 11887 H HB2 . GLU A 1 43 ? 10.845 4.472 11.332 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 8 -ATOM 11888 H HB3 . GLU A 1 43 ? 11.331 5.283 9.849 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 8 -ATOM 11889 H HG2 . GLU A 1 43 ? 9.858 7.210 10.566 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 8 -ATOM 11890 H HG3 . GLU A 1 43 ? 9.741 6.420 12.132 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 8 -ATOM 11891 N N . ALA A 1 44 ? 7.330 5.222 11.231 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 8 -ATOM 11892 C CA . ALA A 1 44 ? 6.239 4.992 12.168 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 8 -ATOM 11893 C C . ALA A 1 44 ? 5.165 4.088 11.552 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 8 -ATOM 11894 O O . ALA A 1 44 ? 4.359 3.478 12.263 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 8 -ATOM 11895 C CB . ALA A 1 44 ? 5.634 6.316 12.595 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 8 -ATOM 11896 H H . ALA A 1 44 ? 7.443 6.104 10.820 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 8 -ATOM 11897 H HA . ALA A 1 44 ? 6.647 4.504 13.040 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 8 -ATOM 11898 H HB1 . ALA A 1 44 ? 5.225 6.820 11.731 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 8 -ATOM 11899 H HB2 . ALA A 1 44 ? 6.396 6.933 13.047 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 8 -ATOM 11900 H HB3 . ALA A 1 44 ? 4.845 6.131 13.309 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 8 -ATOM 11901 N N . ASN A 1 45 ? 5.168 3.994 10.232 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 8 -ATOM 11902 C CA . ASN A 1 45 ? 4.198 3.172 9.516 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 8 -ATOM 11903 C C . ASN A 1 45 ? 4.866 1.970 8.893 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 8 -ATOM 11904 O O . ASN A 1 45 ? 4.205 1.169 8.233 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 8 -ATOM 11905 C CB . ASN A 1 45 ? 3.450 3.976 8.421 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 8 -ATOM 11906 C CG . ASN A 1 45 ? 2.531 5.058 8.968 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 8 -ATOM 11907 O OD1 . ASN A 1 45 ? 2.006 4.946 10.075 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 8 -ATOM 11908 N ND2 . ASN A 1 45 ? 2.316 6.107 8.200 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 8 -ATOM 11909 H H . ASN A 1 45 ? 5.850 4.470 9.708 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 8 -ATOM 11910 H HA . ASN A 1 45 ? 3.474 2.818 10.235 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 8 -ATOM 11911 H HB2 . ASN A 1 45 ? 4.176 4.452 7.781 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 8 -ATOM 11912 H HB3 . ASN A 1 45 ? 2.860 3.291 7.830 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 8 -ATOM 11913 H HD21 . ASN A 1 45 ? 2.748 6.142 7.321 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 8 -ATOM 11914 H HD22 . ASN A 1 45 ? 1.718 6.814 8.529 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 8 -ATOM 11915 N N . LYS A 1 46 ? 6.168 1.829 9.105 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 8 -ATOM 11916 C CA . LYS A 1 46 ? 6.906 0.777 8.539 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 8 -ATOM 11917 C C . LYS A 1 46 ? 6.713 -0.491 9.345 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 8 -ATOM 11918 O O . LYS A 1 46 ? 6.748 -0.473 10.586 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 8 -ATOM 11919 C CB . LYS A 1 46 ? 8.372 1.164 8.474 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 8 -ATOM 11920 C CG . LYS A 1 46 ? 9.155 0.243 7.616 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 8 -ATOM 11921 C CD . LYS A 1 46 ? 10.582 0.724 7.372 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 8 -ATOM 11922 C CE . LYS A 1 46 ? 11.242 -0.110 6.274 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 8 -ATOM 11923 N NZ . LYS A 1 46 ? 12.572 0.402 5.869 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 8 -ATOM 11924 H H . LYS A 1 46 ? 6.702 2.426 9.659 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 8 -ATOM 11925 H HA . LYS A 1 46 ? 6.552 0.618 7.532 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 8 -ATOM 11926 H HB2 . LYS A 1 46 ? 8.458 2.164 8.078 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 8 -ATOM 11927 H HB3 . LYS A 1 46 ? 8.777 1.126 9.474 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 8 -ATOM 11928 H HG2 . LYS A 1 46 ? 9.136 -0.708 8.122 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 8 -ATOM 11929 H HG3 . LYS A 1 46 ? 8.594 0.201 6.695 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 8 -ATOM 11930 H HD2 . LYS A 1 46 ? 10.548 1.759 7.066 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 8 -ATOM 11931 H HD3 . LYS A 1 46 ? 11.151 0.631 8.285 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 8 -ATOM 11932 H HE2 . LYS A 1 46 ? 11.349 -1.127 6.623 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 8 -ATOM 11933 H HE3 . LYS A 1 46 ? 10.585 -0.093 5.418 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 8 -ATOM 11934 H HZ1 . LYS A 1 46 ? 12.915 -0.108 5.024 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 8 -ATOM 11935 H HZ2 . LYS A 1 46 ? 13.281 0.270 6.622 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 8 -ATOM 11936 H HZ3 . LYS A 1 46 ? 12.544 1.417 5.641 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 8 -ATOM 11937 N N . LEU A 1 47 ? 6.509 -1.559 8.645 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 8 -ATOM 11938 C CA . LEU A 1 47 ? 6.281 -2.848 9.229 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 8 -ATOM 11939 C C . LEU A 1 47 ? 7.596 -3.481 9.581 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 8 -ATOM 11940 O O . LEU A 1 47 ? 8.467 -3.664 8.720 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 8 -ATOM 11941 C CB . LEU A 1 47 ? 5.531 -3.757 8.264 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 8 -ATOM 11942 C CG . LEU A 1 47 ? 4.164 -3.288 7.794 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 8 -ATOM 11943 C CD1 . LEU A 1 47 ? 3.534 -4.330 6.899 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 8 -ATOM 11944 C CD2 . LEU A 1 47 ? 3.268 -2.998 8.966 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 8 -ATOM 11945 H H . LEU A 1 47 ? 6.546 -1.472 7.665 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 8 -ATOM 11946 H HA . LEU A 1 47 ? 5.689 -2.723 10.124 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 8 -ATOM 11947 H HB2 . LEU A 1 47 ? 6.148 -3.866 7.385 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 8 -ATOM 11948 H HB3 . LEU A 1 47 ? 5.416 -4.725 8.729 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 8 -ATOM 11949 H HG . LEU A 1 47 ? 4.282 -2.381 7.220 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 8 -ATOM 11950 H HD11 . LEU A 1 47 ? 3.441 -5.259 7.442 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 8 -ATOM 11951 H HD12 . LEU A 1 47 ? 4.154 -4.481 6.028 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 8 -ATOM 11952 H HD13 . LEU A 1 47 ? 2.555 -3.995 6.591 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 8 -ATOM 11953 H HD21 . LEU A 1 47 ? 2.295 -2.731 8.582 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 8 -ATOM 11954 H HD22 . LEU A 1 47 ? 3.673 -2.170 9.531 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 8 -ATOM 11955 H HD23 . LEU A 1 47 ? 3.189 -3.872 9.593 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 8 -ATOM 11956 N N . ARG A 1 48 ? 7.741 -3.815 10.817 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 8 -ATOM 11957 C CA . ARG A 1 48 ? 8.937 -4.398 11.301 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 8 -ATOM 11958 C C . ARG A 1 48 ? 8.845 -5.902 11.162 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 8 -ATOM 11959 O O . ARG A 1 48 ? 7.923 -6.538 11.690 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 8 -ATOM 11960 C CB . ARG A 1 48 ? 9.174 -3.955 12.736 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 8 -ATOM 11961 C CG . ARG A 1 48 ? 9.326 -2.443 12.857 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 8 -ATOM 11962 C CD . ARG A 1 48 ? 9.581 -1.996 14.280 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 8 -ATOM 11963 N NE . ARG A 1 48 ? 9.724 -0.529 14.369 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 8 -ATOM 11964 C CZ . ARG A 1 48 ? 10.823 0.122 14.811 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 8 -ATOM 11965 N NH1 . ARG A 1 48 ? 11.961 -0.539 15.039 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 8 -ATOM 11966 N NH2 . ARG A 1 48 ? 10.797 1.441 14.966 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 8 -ATOM 11967 H H . ARG A 1 48 ? 7.001 -3.688 11.448 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 8 -ATOM 11968 H HA . ARG A 1 48 ? 9.748 -4.043 10.682 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 8 -ATOM 11969 H HB2 . ARG A 1 48 ? 8.336 -4.271 13.342 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 8 -ATOM 11970 H HB3 . ARG A 1 48 ? 10.074 -4.425 13.098 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 8 -ATOM 11971 H HG2 . ARG A 1 48 ? 10.159 -2.128 12.246 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 8 -ATOM 11972 H HG3 . ARG A 1 48 ? 8.423 -1.972 12.496 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 8 -ATOM 11973 H HD2 . ARG A 1 48 ? 8.739 -2.300 14.883 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 8 -ATOM 11974 H HD3 . ARG A 1 48 ? 10.478 -2.464 14.657 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 8 -ATOM 11975 H HE . ARG A 1 48 ? 8.914 -0.030 14.110 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 8 -ATOM 11976 H HH11 . ARG A 1 48 ? 12.045 -1.530 14.887 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 8 -ATOM 11977 H HH12 . ARG A 1 48 ? 12.779 -0.070 15.379 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 8 -ATOM 11978 H HH21 . ARG A 1 48 ? 9.986 1.996 14.770 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 8 -ATOM 11979 H HH22 . ARG A 1 48 ? 11.606 1.941 15.291 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 8 -ATOM 11980 N N . GLY A 1 49 ? 9.758 -6.453 10.409 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 8 -ATOM 11981 C CA . GLY A 1 49 ? 9.737 -7.860 10.121 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 8 -ATOM 11982 C C . GLY A 1 49 ? 9.243 -8.099 8.716 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 8 -ATOM 11983 O O . GLY A 1 49 ? 9.015 -9.232 8.305 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 8 -ATOM 11984 H H . GLY A 1 49 ? 10.478 -5.898 10.037 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 8 -ATOM 11985 H HA2 . GLY A 1 49 ? 10.737 -8.256 10.224 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 8 -ATOM 11986 H HA3 . GLY A 1 49 ? 9.077 -8.359 10.814 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 8 -ATOM 11987 N N . MET A 1 50 ? 9.064 -7.018 7.985 1.00 0.00 ? ? ? ? ? ? 47 MET A N 8 -ATOM 11988 C CA . MET A 1 50 ? 8.602 -7.062 6.612 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 8 -ATOM 11989 C C . MET A 1 50 ? 9.568 -6.281 5.740 1.00 0.00 ? ? ? ? ? ? 47 MET A C 8 -ATOM 11990 O O . MET A 1 50 ? 10.033 -5.212 6.156 1.00 0.00 ? ? ? ? ? ? 47 MET A O 8 -ATOM 11991 C CB . MET A 1 50 ? 7.200 -6.460 6.491 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 8 -ATOM 11992 C CG . MET A 1 50 ? 6.092 -7.272 7.147 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 8 -ATOM 11993 S SD . MET A 1 50 ? 5.800 -8.862 6.333 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 8 -ATOM 11994 C CE . MET A 1 50 ? 5.195 -8.317 4.731 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 8 -ATOM 11995 H H . MET A 1 50 ? 9.274 -6.144 8.376 1.00 0.00 ? ? ? ? ? ? 47 MET A H 8 -ATOM 11996 H HA . MET A 1 50 ? 8.573 -8.100 6.317 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 8 -ATOM 11997 H HB2 . MET A 1 50 ? 7.223 -5.487 6.956 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 8 -ATOM 11998 H HB3 . MET A 1 50 ? 6.965 -6.336 5.444 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 8 -ATOM 11999 H HG2 . MET A 1 50 ? 6.351 -7.441 8.183 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 8 -ATOM 12000 H HG3 . MET A 1 50 ? 5.185 -6.689 7.099 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 8 -ATOM 12001 H HE1 . MET A 1 50 ? 5.957 -7.740 4.227 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 8 -ATOM 12002 H HE2 . MET A 1 50 ? 4.320 -7.701 4.871 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 8 -ATOM 12003 H HE3 . MET A 1 50 ? 4.937 -9.177 4.131 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 8 -ATOM 12004 N N . PRO A 1 51 ? 9.899 -6.785 4.539 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 8 -ATOM 12005 C CA . PRO A 1 51 ? 10.840 -6.119 3.636 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 8 -ATOM 12006 C C . PRO A 1 51 ? 10.304 -4.791 3.086 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 8 -ATOM 12007 O O . PRO A 1 51 ? 9.507 -4.775 2.135 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 8 -ATOM 12008 C CB . PRO A 1 51 ? 11.053 -7.125 2.491 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 8 -ATOM 12009 C CG . PRO A 1 51 ? 10.460 -8.408 2.971 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 8 -ATOM 12010 C CD . PRO A 1 51 ? 9.398 -8.042 3.963 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 8 -ATOM 12011 H HA . PRO A 1 51 ? 11.781 -5.933 4.134 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 8 -ATOM 12012 H HB2 . PRO A 1 51 ? 10.542 -6.768 1.611 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 8 -ATOM 12013 H HB3 . PRO A 1 51 ? 12.108 -7.230 2.284 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 8 -ATOM 12014 H HG2 . PRO A 1 51 ? 10.029 -8.950 2.142 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 8 -ATOM 12015 H HG3 . PRO A 1 51 ? 11.222 -9.007 3.448 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 8 -ATOM 12016 H HD2 . PRO A 1 51 ? 8.442 -7.896 3.481 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 8 -ATOM 12017 H HD3 . PRO A 1 51 ? 9.337 -8.815 4.712 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 8 -ATOM 12018 N N . ASP A 1 52 ? 10.681 -3.706 3.760 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 8 -ATOM 12019 C CA . ASP A 1 52 ? 10.352 -2.317 3.383 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 8 -ATOM 12020 C C . ASP A 1 52 ? 8.879 -2.086 3.158 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 8 -ATOM 12021 O O . ASP A 1 52 ? 8.488 -1.307 2.292 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 8 -ATOM 12022 C CB . ASP A 1 52 ? 11.178 -1.824 2.183 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 8 -ATOM 12023 C CG . ASP A 1 52 ? 12.609 -1.518 2.545 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 8 -ATOM 12024 O OD1 . ASP A 1 52 ? 12.864 -0.476 3.208 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 8 -ATOM 12025 O OD2 . ASP A 1 52 ? 13.511 -2.310 2.200 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 8 -ATOM 12026 H H . ASP A 1 52 ? 11.210 -3.859 4.574 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 8 -ATOM 12027 H HA . ASP A 1 52 ? 10.629 -1.718 4.237 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 8 -ATOM 12028 H HB2 . ASP A 1 52 ? 11.181 -2.592 1.423 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 8 -ATOM 12029 H HB3 . ASP A 1 52 ? 10.723 -0.930 1.782 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 8 -ATOM 12030 N N . CYS A 1 53 ? 8.067 -2.696 3.977 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 8 -ATOM 12031 C CA . CYS A 1 53 ? 6.642 -2.559 3.846 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 8 -ATOM 12032 C C . CYS A 1 53 ? 6.136 -1.540 4.859 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 8 -ATOM 12033 O O . CYS A 1 53 ? 6.656 -1.450 5.965 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 8 -ATOM 12034 C CB . CYS A 1 53 ? 5.973 -3.911 4.058 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 8 -ATOM 12035 S SG . CYS A 1 53 ? 6.601 -5.220 2.976 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 8 -ATOM 12036 H H . CYS A 1 53 ? 8.436 -3.245 4.698 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 8 -ATOM 12037 H HA . CYS A 1 53 ? 6.424 -2.207 2.850 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 8 -ATOM 12038 H HB2 . CYS A 1 53 ? 6.138 -4.225 5.078 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 8 -ATOM 12039 H HB3 . CYS A 1 53 ? 4.911 -3.813 3.883 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 8 -ATOM 12040 H HG . CYS A 1 53 ? 7.766 -4.806 2.486 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 8 -ATOM 12041 N N . TYR A 1 54 ? 5.175 -0.763 4.456 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 8 -ATOM 12042 C CA . TYR A 1 54 ? 4.584 0.284 5.251 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 8 -ATOM 12043 C C . TYR A 1 54 ? 3.083 0.133 5.137 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 8 -ATOM 12044 O O . TYR A 1 54 ? 2.597 -0.442 4.156 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 8 -ATOM 12045 C CB . TYR A 1 54 ? 4.984 1.676 4.710 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 8 -ATOM 12046 C CG . TYR A 1 54 ? 6.471 2.012 4.716 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 8 -ATOM 12047 C CD1 . TYR A 1 54 ? 7.370 1.343 3.895 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 8 -ATOM 12048 C CD2 . TYR A 1 54 ? 6.968 3.007 5.533 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 8 -ATOM 12049 C CE1 . TYR A 1 54 ? 8.711 1.653 3.891 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 8 -ATOM 12050 C CE2 . TYR A 1 54 ? 8.311 3.326 5.530 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 8 -ATOM 12051 C CZ . TYR A 1 54 ? 9.175 2.645 4.707 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 8 -ATOM 12052 O OH . TYR A 1 54 ? 10.520 2.959 4.710 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 8 -ATOM 12053 H H . TYR A 1 54 ? 4.805 -0.887 3.553 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 8 -ATOM 12054 H HA . TYR A 1 54 ? 4.896 0.184 6.279 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 8 -ATOM 12055 H HB2 . TYR A 1 54 ? 4.650 1.750 3.685 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 8 -ATOM 12056 H HB3 . TYR A 1 54 ? 4.467 2.426 5.290 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 8 -ATOM 12057 H HD1 . TYR A 1 54 ? 7.002 0.558 3.250 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 8 -ATOM 12058 H HD2 . TYR A 1 54 ? 6.291 3.543 6.181 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 8 -ATOM 12059 H HE1 . TYR A 1 54 ? 9.389 1.116 3.244 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 8 -ATOM 12060 H HE2 . TYR A 1 54 ? 8.678 4.109 6.178 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 8 -ATOM 12061 H HH . TYR A 1 54 ? 10.837 2.910 3.797 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 8 -ATOM 12062 N N . LYS A 1 55 ? 2.354 0.626 6.095 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 8 -ATOM 12063 C CA . LYS A 1 55 ? 0.914 0.491 6.070 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 8 -ATOM 12064 C C . LYS A 1 55 ? 0.206 1.794 6.385 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 8 -ATOM 12065 O O . LYS A 1 55 ? 0.645 2.575 7.247 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 8 -ATOM 12066 C CB . LYS A 1 55 ? 0.446 -0.565 7.078 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 8 -ATOM 12067 C CG . LYS A 1 55 ? 0.884 -0.271 8.506 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 8 -ATOM 12068 C CD . LYS A 1 55 ? 0.176 -1.143 9.513 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 8 -ATOM 12069 C CE . LYS A 1 55 ? 0.755 -0.930 10.896 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 8 -ATOM 12070 N NZ . LYS A 1 55 ? 0.019 -1.672 11.927 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 8 -ATOM 12071 H H . LYS A 1 55 ? 2.786 1.096 6.842 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 8 -ATOM 12072 H HA . LYS A 1 55 ? 0.622 0.158 5.085 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 8 -ATOM 12073 H HB2 . LYS A 1 55 ? -0.632 -0.617 7.055 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 8 -ATOM 12074 H HB3 . LYS A 1 55 ? 0.849 -1.524 6.791 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 8 -ATOM 12075 H HG2 . LYS A 1 55 ? 1.948 -0.441 8.588 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 8 -ATOM 12076 H HG3 . LYS A 1 55 ? 0.673 0.766 8.722 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 8 -ATOM 12077 H HD2 . LYS A 1 55 ? -0.873 -0.887 9.527 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 8 -ATOM 12078 H HD3 . LYS A 1 55 ? 0.295 -2.179 9.235 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 8 -ATOM 12079 H HE2 . LYS A 1 55 ? 1.778 -1.275 10.890 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 8 -ATOM 12080 H HE3 . LYS A 1 55 ? 0.739 0.124 11.129 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 8 -ATOM 12081 H HZ1 . LYS A 1 55 ? -0.092 -2.679 11.683 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 8 -ATOM 12082 H HZ2 . LYS A 1 55 ? -0.925 -1.271 12.086 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 8 -ATOM 12083 H HZ3 . LYS A 1 55 ? 0.537 -1.620 12.829 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 8 -ATOM 12084 N N . ILE A 1 56 ? -0.876 2.021 5.701 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 8 -ATOM 12085 C CA . ILE A 1 56 ? -1.770 3.093 6.017 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 8 -ATOM 12086 C C . ILE A 1 56 ? -3.103 2.475 6.303 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 8 -ATOM 12087 O O . ILE A 1 56 ? -3.631 1.703 5.486 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 8 -ATOM 12088 C CB . ILE A 1 56 ? -1.957 4.153 4.886 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 8 -ATOM 12089 C CG1 . ILE A 1 56 ? -0.621 4.845 4.564 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 8 -ATOM 12090 C CG2 . ILE A 1 56 ? -3.030 5.194 5.315 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 8 -ATOM 12091 C CD1 . ILE A 1 56 ? -0.704 5.869 3.446 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 8 -ATOM 12092 H H . ILE A 1 56 ? -1.105 1.421 4.955 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 8 -ATOM 12093 H HA . ILE A 1 56 ? -1.404 3.576 6.910 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 8 -ATOM 12094 H HB . ILE A 1 56 ? -2.324 3.641 4.008 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 8 -ATOM 12095 H HG12 . ILE A 1 56 ? -0.267 5.357 5.447 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 8 -ATOM 12096 H HG13 . ILE A 1 56 ? 0.105 4.097 4.281 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 8 -ATOM 12097 H HG21 . ILE A 1 56 ? -3.212 5.918 4.533 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 8 -ATOM 12098 H HG22 . ILE A 1 56 ? -2.700 5.716 6.201 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 8 -ATOM 12099 H HG23 . ILE A 1 56 ? -3.955 4.688 5.560 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 8 -ATOM 12100 H HD11 . ILE A 1 56 ? -1.059 5.392 2.545 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 8 -ATOM 12101 H HD12 . ILE A 1 56 ? 0.276 6.287 3.265 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 8 -ATOM 12102 H HD13 . ILE A 1 56 ? -1.387 6.656 3.731 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 8 -ATOM 12103 N N . LYS A 1 57 ? -3.617 2.724 7.450 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 8 -ATOM 12104 C CA . LYS A 1 57 ? -4.914 2.271 7.746 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 8 -ATOM 12105 C C . LYS A 1 57 ? -5.884 3.425 7.647 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 8 -ATOM 12106 O O . LYS A 1 57 ? -5.650 4.498 8.196 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 8 -ATOM 12107 C CB . LYS A 1 57 ? -4.968 1.450 9.060 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 8 -ATOM 12108 C CG . LYS A 1 57 ? -4.410 2.094 10.341 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 8 -ATOM 12109 C CD . LYS A 1 57 ? -5.311 3.159 10.930 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 8 -ATOM 12110 C CE . LYS A 1 57 ? -6.726 2.651 11.063 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 8 -ATOM 12111 N NZ . LYS A 1 57 ? -7.539 3.463 11.973 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 8 -ATOM 12112 H H . LYS A 1 57 ? -3.106 3.240 8.112 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 8 -ATOM 12113 H HA . LYS A 1 57 ? -5.162 1.618 6.919 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 8 -ATOM 12114 H HB2 . LYS A 1 57 ? -5.992 1.171 9.256 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 8 -ATOM 12115 H HB3 . LYS A 1 57 ? -4.412 0.541 8.892 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 8 -ATOM 12116 H HG2 . LYS A 1 57 ? -4.271 1.326 11.087 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 8 -ATOM 12117 H HG3 . LYS A 1 57 ? -3.453 2.534 10.112 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 8 -ATOM 12118 H HD2 . LYS A 1 57 ? -4.935 3.437 11.902 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 8 -ATOM 12119 H HD3 . LYS A 1 57 ? -5.298 4.007 10.260 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 8 -ATOM 12120 H HE2 . LYS A 1 57 ? -7.150 2.720 10.071 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 8 -ATOM 12121 H HE3 . LYS A 1 57 ? -6.702 1.620 11.383 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 8 -ATOM 12122 H HZ1 . LYS A 1 57 ? -7.634 4.455 11.689 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 8 -ATOM 12123 H HZ2 . LYS A 1 57 ? -7.130 3.445 12.929 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 8 -ATOM 12124 H HZ3 . LYS A 1 57 ? -8.490 3.054 12.068 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 8 -ATOM 12125 N N . LEU A 1 58 ? -6.932 3.217 6.904 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 8 -ATOM 12126 C CA . LEU A 1 58 ? -7.886 4.248 6.592 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 8 -ATOM 12127 C C . LEU A 1 58 ? -8.779 4.500 7.803 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 8 -ATOM 12128 O O . LEU A 1 58 ? -9.687 3.710 8.098 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 8 -ATOM 12129 C CB . LEU A 1 58 ? -8.689 3.827 5.336 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 8 -ATOM 12130 C CG . LEU A 1 58 ? -9.368 4.936 4.499 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 8 -ATOM 12131 C CD1 . LEU A 1 58 ? -10.547 5.551 5.208 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 8 -ATOM 12132 C CD2 . LEU A 1 58 ? -8.355 6.011 4.143 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 8 -ATOM 12133 H H . LEU A 1 58 ? -7.077 2.307 6.556 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 8 -ATOM 12134 H HA . LEU A 1 58 ? -7.331 5.146 6.369 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 8 -ATOM 12135 H HB2 . LEU A 1 58 ? -8.017 3.290 4.685 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 8 -ATOM 12136 H HB3 . LEU A 1 58 ? -9.454 3.137 5.660 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 8 -ATOM 12137 H HG . LEU A 1 58 ? -9.726 4.508 3.573 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 8 -ATOM 12138 H HD11 . LEU A 1 58 ? -10.214 5.995 6.133 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 8 -ATOM 12139 H HD12 . LEU A 1 58 ? -11.283 4.789 5.420 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 8 -ATOM 12140 H HD13 . LEU A 1 58 ? -10.989 6.315 4.583 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 8 -ATOM 12141 H HD21 . LEU A 1 58 ? -7.504 5.559 3.657 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 8 -ATOM 12142 H HD22 . LEU A 1 58 ? -8.040 6.527 5.037 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 8 -ATOM 12143 H HD23 . LEU A 1 58 ? -8.815 6.715 3.468 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 8 -ATOM 12144 N N . ARG A 1 59 ? -8.492 5.590 8.495 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 8 -ATOM 12145 C CA . ARG A 1 59 ? -9.153 5.977 9.744 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 8 -ATOM 12146 C C . ARG A 1 59 ? -10.678 6.106 9.637 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 8 -ATOM 12147 O O . ARG A 1 59 ? -11.405 5.675 10.527 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 8 -ATOM 12148 C CB . ARG A 1 59 ? -8.531 7.269 10.306 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 8 -ATOM 12149 C CG . ARG A 1 59 ? -8.521 8.447 9.328 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 8 -ATOM 12150 C CD . ARG A 1 59 ? -7.954 9.706 9.960 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 8 -ATOM 12151 N NE . ARG A 1 59 ? -6.609 9.514 10.537 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 8 -ATOM 12152 C CZ . ARG A 1 59 ? -5.884 10.483 11.126 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 8 -ATOM 12153 N NH1 . ARG A 1 59 ? -6.278 11.755 11.063 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 8 -ATOM 12154 N NH2 . ARG A 1 59 ? -4.755 10.174 11.751 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 8 -ATOM 12155 H H . ARG A 1 59 ? -7.779 6.167 8.139 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 8 -ATOM 12156 H HA . ARG A 1 59 ? -8.947 5.187 10.452 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 8 -ATOM 12157 H HB2 . ARG A 1 59 ? -9.084 7.567 11.183 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 8 -ATOM 12158 H HB3 . ARG A 1 59 ? -7.511 7.063 10.593 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 8 -ATOM 12159 H HG2 . ARG A 1 59 ? -7.934 8.191 8.460 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 8 -ATOM 12160 H HG3 . ARG A 1 59 ? -9.539 8.638 9.019 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 8 -ATOM 12161 H HD2 . ARG A 1 59 ? -7.897 10.474 9.202 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 8 -ATOM 12162 H HD3 . ARG A 1 59 ? -8.627 10.024 10.741 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 8 -ATOM 12163 H HE . ARG A 1 59 ? -6.261 8.593 10.515 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 8 -ATOM 12164 H HH11 . ARG A 1 59 ? -7.114 12.021 10.577 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 8 -ATOM 12165 H HH12 . ARG A 1 59 ? -5.760 12.504 11.484 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 8 -ATOM 12166 H HH21 . ARG A 1 59 ? -4.411 9.233 11.801 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 8 -ATOM 12167 H HH22 . ARG A 1 59 ? -4.201 10.874 12.210 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 8 -ATOM 12168 N N . SER A 1 60 ? -11.155 6.642 8.552 1.00 0.00 ? ? ? ? ? ? 57 SER A N 8 -ATOM 12169 C CA . SER A 1 60 ? -12.560 6.889 8.373 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 8 -ATOM 12170 C C . SER A 1 60 ? -13.337 5.690 7.764 1.00 0.00 ? ? ? ? ? ? 57 SER A C 8 -ATOM 12171 O O . SER A 1 60 ? -14.449 5.866 7.260 1.00 0.00 ? ? ? ? ? ? 57 SER A O 8 -ATOM 12172 C CB . SER A 1 60 ? -12.698 8.159 7.541 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 8 -ATOM 12173 O OG . SER A 1 60 ? -11.663 8.209 6.567 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 8 -ATOM 12174 H H . SER A 1 60 ? -10.579 6.932 7.811 1.00 0.00 ? ? ? ? ? ? 57 SER A H 8 -ATOM 12175 H HA . SER A 1 60 ? -12.974 7.095 9.347 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 8 -ATOM 12176 H HB2 . SER A 1 60 ? -13.654 8.158 7.040 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 8 -ATOM 12177 H HB3 . SER A 1 60 ? -12.619 9.026 8.181 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 8 -ATOM 12178 H HG . SER A 1 60 ? -12.057 8.353 5.693 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 8 -ATOM 12179 N N . SER A 1 61 ? -12.786 4.476 7.855 1.00 0.00 ? ? ? ? ? ? 58 SER A N 8 -ATOM 12180 C CA . SER A 1 61 ? -13.494 3.307 7.341 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 8 -ATOM 12181 C C . SER A 1 61 ? -13.028 2.012 8.030 1.00 0.00 ? ? ? ? ? ? 58 SER A C 8 -ATOM 12182 O O . SER A 1 61 ? -13.848 1.196 8.471 1.00 0.00 ? ? ? ? ? ? 58 SER A O 8 -ATOM 12183 C CB . SER A 1 61 ? -13.348 3.199 5.811 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 8 -ATOM 12184 O OG . SER A 1 61 ? -14.167 2.169 5.278 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 8 -ATOM 12185 H H . SER A 1 61 ? -11.914 4.380 8.291 1.00 0.00 ? ? ? ? ? ? 58 SER A H 8 -ATOM 12186 H HA . SER A 1 61 ? -14.540 3.446 7.577 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 8 -ATOM 12187 H HB2 . SER A 1 61 ? -13.626 4.136 5.353 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 8 -ATOM 12188 H HB3 . SER A 1 61 ? -12.319 2.975 5.572 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 8 -ATOM 12189 H HG . SER A 1 61 ? -14.741 2.569 4.613 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 8 -ATOM 12190 N N . GLY A 1 62 ? -11.732 1.839 8.171 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 8 -ATOM 12191 C CA . GLY A 1 62 ? -11.234 0.620 8.762 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 8 -ATOM 12192 C C . GLY A 1 62 ? -10.573 -0.286 7.743 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 8 -ATOM 12193 O O . GLY A 1 62 ? -10.469 -1.499 7.942 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 8 -ATOM 12194 H H . GLY A 1 62 ? -11.099 2.544 7.915 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 8 -ATOM 12195 H HA2 . GLY A 1 62 ? -10.513 0.870 9.525 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 8 -ATOM 12196 H HA3 . GLY A 1 62 ? -12.059 0.090 9.217 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 8 -ATOM 12197 N N . TYR A 1 63 ? -10.135 0.279 6.655 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 8 -ATOM 12198 C CA . TYR A 1 63 ? -9.422 -0.486 5.658 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 8 -ATOM 12199 C C . TYR A 1 63 ? -7.939 -0.345 5.871 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 8 -ATOM 12200 O O . TYR A 1 63 ? -7.483 0.628 6.459 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 8 -ATOM 12201 C CB . TYR A 1 63 ? -9.814 -0.086 4.238 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 8 -ATOM 12202 C CG . TYR A 1 63 ? -11.122 -0.686 3.744 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 8 -ATOM 12203 C CD1 . TYR A 1 63 ? -12.340 -0.361 4.325 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 8 -ATOM 12204 C CD2 . TYR A 1 63 ? -11.129 -1.558 2.660 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 8 -ATOM 12205 C CE1 . TYR A 1 63 ? -13.526 -0.888 3.842 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 8 -ATOM 12206 C CE2 . TYR A 1 63 ? -12.307 -2.091 2.175 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 8 -ATOM 12207 C CZ . TYR A 1 63 ? -13.502 -1.752 2.767 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 8 -ATOM 12208 O OH . TYR A 1 63 ? -14.682 -2.268 2.273 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 8 -ATOM 12209 H H . TYR A 1 63 ? -10.265 1.238 6.515 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 8 -ATOM 12210 H HA . TYR A 1 63 ? -9.683 -1.524 5.816 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 8 -ATOM 12211 H HB2 . TYR A 1 63 ? -9.912 0.988 4.194 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 8 -ATOM 12212 H HB3 . TYR A 1 63 ? -9.030 -0.392 3.562 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 8 -ATOM 12213 H HD1 . TYR A 1 63 ? -12.353 0.314 5.168 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 8 -ATOM 12214 H HD2 . TYR A 1 63 ? -10.191 -1.823 2.195 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 8 -ATOM 12215 H HE1 . TYR A 1 63 ? -14.464 -0.623 4.305 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 8 -ATOM 12216 H HE2 . TYR A 1 63 ? -12.287 -2.768 1.334 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 8 -ATOM 12217 H HH . TYR A 1 63 ? -15.354 -1.577 2.308 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 8 -ATOM 12218 N N . ARG A 1 64 ? -7.209 -1.316 5.440 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 8 -ATOM 12219 C CA . ARG A 1 64 ? -5.781 -1.344 5.582 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 8 -ATOM 12220 C C . ARG A 1 64 ? -5.154 -1.486 4.216 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 8 -ATOM 12221 O O . ARG A 1 64 ? -5.630 -2.273 3.385 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 8 -ATOM 12222 C CB . ARG A 1 64 ? -5.315 -2.516 6.478 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 8 -ATOM 12223 C CG . ARG A 1 64 ? -5.496 -2.354 7.998 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 8 -ATOM 12224 C CD . ARG A 1 64 ? -6.951 -2.317 8.475 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 8 -ATOM 12225 N NE . ARG A 1 64 ? -6.996 -2.237 9.941 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 8 -ATOM 12226 C CZ . ARG A 1 64 ? -8.082 -2.288 10.737 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 8 -ATOM 12227 N NH1 . ARG A 1 64 ? -9.308 -2.269 10.234 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 8 -ATOM 12228 N NH2 . ARG A 1 64 ? -7.924 -2.301 12.047 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 8 -ATOM 12229 H H . ARG A 1 64 ? -7.628 -2.058 4.948 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 8 -ATOM 12230 H HA . ARG A 1 64 ? -5.463 -0.414 6.026 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 8 -ATOM 12231 H HB2 . ARG A 1 64 ? -5.863 -3.399 6.185 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 8 -ATOM 12232 H HB3 . ARG A 1 64 ? -4.268 -2.688 6.279 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 8 -ATOM 12233 H HG2 . ARG A 1 64 ? -5.012 -3.186 8.486 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 8 -ATOM 12234 H HG3 . ARG A 1 64 ? -5.003 -1.443 8.301 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 8 -ATOM 12235 H HD2 . ARG A 1 64 ? -7.443 -1.452 8.052 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 8 -ATOM 12236 H HD3 . ARG A 1 64 ? -7.453 -3.220 8.158 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 8 -ATOM 12237 H HE . ARG A 1 64 ? -6.102 -2.167 10.348 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 8 -ATOM 12238 H HH11 . ARG A 1 64 ? -9.512 -2.208 9.252 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 8 -ATOM 12239 H HH12 . ARG A 1 64 ? -10.123 -2.323 10.822 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 8 -ATOM 12240 H HH21 . ARG A 1 64 ? -7.019 -2.273 12.480 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 8 -ATOM 12241 H HH22 . ARG A 1 64 ? -8.698 -2.359 12.687 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 8 -ATOM 12242 N N . LEU A 1 65 ? -4.138 -0.720 3.972 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 8 -ATOM 12243 C CA . LEU A 1 65 ? -3.411 -0.796 2.742 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 8 -ATOM 12244 C C . LEU A 1 65 ? -1.930 -0.904 3.090 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 8 -ATOM 12245 O O . LEU A 1 65 ? -1.397 -0.072 3.838 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 8 -ATOM 12246 C CB . LEU A 1 65 ? -3.743 0.454 1.871 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 8 -ATOM 12247 C CG . LEU A 1 65 ? -3.187 0.515 0.429 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 8 -ATOM 12248 C CD1 . LEU A 1 65 ? -3.911 1.583 -0.365 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 8 -ATOM 12249 C CD2 . LEU A 1 65 ? -1.710 0.841 0.422 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 8 -ATOM 12250 H H . LEU A 1 65 ? -3.839 -0.054 4.630 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 8 -ATOM 12251 H HA . LEU A 1 65 ? -3.727 -1.691 2.227 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 8 -ATOM 12252 H HB2 . LEU A 1 65 ? -4.819 0.528 1.806 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 8 -ATOM 12253 H HB3 . LEU A 1 65 ? -3.388 1.324 2.403 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 8 -ATOM 12254 H HG . LEU A 1 65 ? -3.334 -0.440 -0.054 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 8 -ATOM 12255 H HD11 . LEU A 1 65 ? -3.496 1.624 -1.362 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 8 -ATOM 12256 H HD12 . LEU A 1 65 ? -3.789 2.542 0.117 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 8 -ATOM 12257 H HD13 . LEU A 1 65 ? -4.961 1.339 -0.425 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 8 -ATOM 12258 H HD21 . LEU A 1 65 ? -1.566 1.793 0.912 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 8 -ATOM 12259 H HD22 . LEU A 1 65 ? -1.362 0.903 -0.596 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 8 -ATOM 12260 H HD23 . LEU A 1 65 ? -1.165 0.074 0.952 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 8 -ATOM 12261 N N . VAL A 1 66 ? -1.287 -1.931 2.581 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 8 -ATOM 12262 C CA . VAL A 1 66 ? 0.112 -2.190 2.849 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 8 -ATOM 12263 C C . VAL A 1 66 ? 0.894 -2.104 1.544 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 8 -ATOM 12264 O O . VAL A 1 66 ? 0.534 -2.744 0.540 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 8 -ATOM 12265 C CB . VAL A 1 66 ? 0.321 -3.597 3.492 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 8 -ATOM 12266 C CG1 . VAL A 1 66 ? 1.787 -3.838 3.827 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 8 -ATOM 12267 C CG2 . VAL A 1 66 ? -0.538 -3.764 4.742 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 8 -ATOM 12268 H H . VAL A 1 66 ? -1.757 -2.545 1.971 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 8 -ATOM 12269 H HA . VAL A 1 66 ? 0.472 -1.432 3.530 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 8 -ATOM 12270 H HB . VAL A 1 66 ? 0.017 -4.338 2.768 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 8 -ATOM 12271 H HG11 . VAL A 1 66 ? 2.384 -3.756 2.930 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 8 -ATOM 12272 H HG12 . VAL A 1 66 ? 1.901 -4.826 4.249 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 8 -ATOM 12273 H HG13 . VAL A 1 66 ? 2.117 -3.107 4.550 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 8 -ATOM 12274 H HG21 . VAL A 1 66 ? -0.376 -4.742 5.167 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 8 -ATOM 12275 H HG22 . VAL A 1 66 ? -1.580 -3.655 4.479 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 8 -ATOM 12276 H HG23 . VAL A 1 66 ? -0.271 -3.008 5.466 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 8 -ATOM 12277 N N . TYR A 1 67 ? 1.939 -1.328 1.546 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 8 -ATOM 12278 C CA . TYR A 1 67 ? 2.740 -1.124 0.370 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 8 -ATOM 12279 C C . TYR A 1 67 ? 4.210 -1.246 0.696 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 8 -ATOM 12280 O O . TYR A 1 67 ? 4.595 -1.112 1.836 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 8 -ATOM 12281 C CB . TYR A 1 67 ? 2.425 0.241 -0.288 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 8 -ATOM 12282 C CG . TYR A 1 67 ? 2.545 1.471 0.612 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 8 -ATOM 12283 C CD1 . TYR A 1 67 ? 3.772 1.937 1.057 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 8 -ATOM 12284 C CD2 . TYR A 1 67 ? 1.419 2.184 0.973 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 8 -ATOM 12285 C CE1 . TYR A 1 67 ? 3.868 3.069 1.833 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 8 -ATOM 12286 C CE2 . TYR A 1 67 ? 1.504 3.314 1.753 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 8 -ATOM 12287 C CZ . TYR A 1 67 ? 2.736 3.752 2.181 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 8 -ATOM 12288 O OH . TYR A 1 67 ? 2.836 4.879 2.955 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 8 -ATOM 12289 H H . TYR A 1 67 ? 2.206 -0.893 2.389 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 8 -ATOM 12290 H HA . TYR A 1 67 ? 2.485 -1.906 -0.329 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 8 -ATOM 12291 H HB2 . TYR A 1 67 ? 3.085 0.397 -1.128 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 8 -ATOM 12292 H HB3 . TYR A 1 67 ? 1.410 0.210 -0.655 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 8 -ATOM 12293 H HD1 . TYR A 1 67 ? 4.666 1.394 0.786 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 8 -ATOM 12294 H HD2 . TYR A 1 67 ? 0.456 1.837 0.635 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 8 -ATOM 12295 H HE1 . TYR A 1 67 ? 4.835 3.413 2.165 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 8 -ATOM 12296 H HE2 . TYR A 1 67 ? 0.603 3.846 2.018 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 8 -ATOM 12297 H HH . TYR A 1 67 ? 3.555 5.418 2.616 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 8 -ATOM 12298 N N . GLN A 1 68 ? 5.010 -1.519 -0.286 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 8 -ATOM 12299 C CA . GLN A 1 68 ? 6.432 -1.584 -0.095 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 8 -ATOM 12300 C C . GLN A 1 68 ? 7.053 -0.338 -0.696 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 8 -ATOM 12301 O O . GLN A 1 68 ? 6.633 0.118 -1.766 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 8 -ATOM 12302 C CB . GLN A 1 68 ? 7.027 -2.847 -0.745 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 8 -ATOM 12303 C CG . GLN A 1 68 ? 6.999 -2.844 -2.267 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 8 -ATOM 12304 C CD . GLN A 1 68 ? 7.537 -4.108 -2.876 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 8 -ATOM 12305 O OE1 . GLN A 1 68 ? 6.795 -5.036 -3.169 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 8 -ATOM 12306 N NE2 . GLN A 1 68 ? 8.824 -4.176 -3.025 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 8 -ATOM 12307 H H . GLN A 1 68 ? 4.641 -1.674 -1.184 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 8 -ATOM 12308 H HA . GLN A 1 68 ? 6.632 -1.595 0.965 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 8 -ATOM 12309 H HB2 . GLN A 1 68 ? 8.055 -2.944 -0.429 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 8 -ATOM 12310 H HB3 . GLN A 1 68 ? 6.475 -3.705 -0.394 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 8 -ATOM 12311 H HG2 . GLN A 1 68 ? 5.973 -2.720 -2.582 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 8 -ATOM 12312 H HG3 . GLN A 1 68 ? 7.584 -2.007 -2.619 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 8 -ATOM 12313 H HE21 . GLN A 1 68 ? 9.368 -3.414 -2.736 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 8 -ATOM 12314 H HE22 . GLN A 1 68 ? 9.218 -4.988 -3.410 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 8 -ATOM 12315 N N . VAL A 1 69 ? 7.997 0.229 -0.022 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 8 -ATOM 12316 C CA . VAL A 1 69 ? 8.672 1.390 -0.538 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 8 -ATOM 12317 C C . VAL A 1 69 ? 10.070 0.999 -0.942 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 8 -ATOM 12318 O O . VAL A 1 69 ? 10.904 0.673 -0.092 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 8 -ATOM 12319 C CB . VAL A 1 69 ? 8.723 2.555 0.503 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 8 -ATOM 12320 C CG1 . VAL A 1 69 ? 9.537 3.733 -0.013 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 8 -ATOM 12321 C CG2 . VAL A 1 69 ? 7.323 3.020 0.866 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 8 -ATOM 12322 H H . VAL A 1 69 ? 8.266 -0.159 0.843 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 8 -ATOM 12323 H HA . VAL A 1 69 ? 8.136 1.723 -1.415 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 8 -ATOM 12324 H HB . VAL A 1 69 ? 9.199 2.186 1.399 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 8 -ATOM 12325 H HG11 . VAL A 1 69 ? 9.107 4.106 -0.930 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 8 -ATOM 12326 H HG12 . VAL A 1 69 ? 10.551 3.412 -0.198 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 8 -ATOM 12327 H HG13 . VAL A 1 69 ? 9.541 4.517 0.730 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 8 -ATOM 12328 H HG21 . VAL A 1 69 ? 7.388 3.828 1.580 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 8 -ATOM 12329 H HG22 . VAL A 1 69 ? 6.779 2.198 1.309 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 8 -ATOM 12330 H HG23 . VAL A 1 69 ? 6.802 3.360 -0.016 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 8 -ATOM 12331 N N . ILE A 1 70 ? 10.327 1.008 -2.220 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 8 -ATOM 12332 C CA . ILE A 1 70 ? 11.631 0.701 -2.707 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 8 -ATOM 12333 C C . ILE A 1 70 ? 12.328 2.012 -2.948 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 8 -ATOM 12334 O O . ILE A 1 70 ? 12.062 2.692 -3.937 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 8 -ATOM 12335 C CB . ILE A 1 70 ? 11.607 -0.106 -4.027 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 8 -ATOM 12336 C CG1 . ILE A 1 70 ? 10.651 -1.299 -3.919 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 8 -ATOM 12337 C CG2 . ILE A 1 70 ? 13.020 -0.602 -4.343 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 8 -ATOM 12338 C CD1 . ILE A 1 70 ? 10.500 -2.078 -5.213 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 8 -ATOM 12339 H H . ILE A 1 70 ? 9.626 1.244 -2.869 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 8 -ATOM 12340 H HA . ILE A 1 70 ? 12.158 0.144 -1.946 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 8 -ATOM 12341 H HB . ILE A 1 70 ? 11.282 0.546 -4.823 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 8 -ATOM 12342 H HG12 . ILE A 1 70 ? 11.015 -1.980 -3.165 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 8 -ATOM 12343 H HG13 . ILE A 1 70 ? 9.675 -0.939 -3.628 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 8 -ATOM 12344 H HG21 . ILE A 1 70 ? 13.012 -1.151 -5.272 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 8 -ATOM 12345 H HG22 . ILE A 1 70 ? 13.357 -1.253 -3.549 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 8 -ATOM 12346 H HG23 . ILE A 1 70 ? 13.692 0.240 -4.425 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 8 -ATOM 12347 H HD11 . ILE A 1 70 ? 10.152 -1.405 -5.984 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 8 -ATOM 12348 H HD12 . ILE A 1 70 ? 9.779 -2.869 -5.074 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 8 -ATOM 12349 H HD13 . ILE A 1 70 ? 11.453 -2.497 -5.502 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 8 -ATOM 12350 N N . ASP A 1 71 ? 13.178 2.371 -2.041 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 8 -ATOM 12351 C CA . ASP A 1 71 ? 13.902 3.629 -2.083 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 8 -ATOM 12352 C C . ASP A 1 71 ? 14.896 3.660 -3.221 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 8 -ATOM 12353 O O . ASP A 1 71 ? 15.056 4.682 -3.884 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 8 -ATOM 12354 C CB . ASP A 1 71 ? 14.593 3.886 -0.744 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 8 -ATOM 12355 C CG . ASP A 1 71 ? 15.462 5.118 -0.753 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 8 -ATOM 12356 O OD1 . ASP A 1 71 ? 14.944 6.234 -0.563 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 8 -ATOM 12357 O OD2 . ASP A 1 71 ? 16.691 4.986 -0.933 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 8 -ATOM 12358 H H . ASP A 1 71 ? 13.347 1.749 -1.300 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 8 -ATOM 12359 H HA . ASP A 1 71 ? 13.195 4.423 -2.262 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 8 -ATOM 12360 H HB2 . ASP A 1 71 ? 13.843 4.009 0.023 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 8 -ATOM 12361 H HB3 . ASP A 1 71 ? 15.208 3.032 -0.501 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 8 -ATOM 12362 N N . GLU A 1 72 ? 15.508 2.525 -3.486 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 8 -ATOM 12363 C CA . GLU A 1 72 ? 16.491 2.403 -4.556 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 8 -ATOM 12364 C C . GLU A 1 72 ? 15.869 2.680 -5.915 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 8 -ATOM 12365 O O . GLU A 1 72 ? 16.458 3.356 -6.757 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 8 -ATOM 12366 C CB . GLU A 1 72 ? 17.076 1.010 -4.564 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 8 -ATOM 12367 C CG . GLU A 1 72 ? 17.873 0.653 -3.338 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 8 -ATOM 12368 C CD . GLU A 1 72 ? 18.317 -0.772 -3.380 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 8 -ATOM 12369 O OE1 . GLU A 1 72 ? 19.181 -1.116 -4.207 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 8 -ATOM 12370 O OE2 . GLU A 1 72 ? 17.786 -1.584 -2.632 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 8 -ATOM 12371 H H . GLU A 1 72 ? 15.301 1.750 -2.918 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 8 -ATOM 12372 H HA . GLU A 1 72 ? 17.286 3.110 -4.373 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 8 -ATOM 12373 H HB2 . GLU A 1 72 ? 16.266 0.301 -4.653 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 8 -ATOM 12374 H HB3 . GLU A 1 72 ? 17.716 0.912 -5.428 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 8 -ATOM 12375 H HG2 . GLU A 1 72 ? 18.743 1.291 -3.286 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 8 -ATOM 12376 H HG3 . GLU A 1 72 ? 17.264 0.804 -2.459 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 8 -ATOM 12377 N N . LYS A 1 73 ? 14.670 2.192 -6.110 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 8 -ATOM 12378 C CA . LYS A 1 73 ? 13.986 2.347 -7.380 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 8 -ATOM 12379 C C . LYS A 1 73 ? 13.063 3.558 -7.346 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 8 -ATOM 12380 O O . LYS A 1 73 ? 12.480 3.929 -8.365 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 8 -ATOM 12381 C CB . LYS A 1 73 ? 13.197 1.078 -7.721 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 8 -ATOM 12382 C CG . LYS A 1 73 ? 14.053 -0.169 -7.893 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 8 -ATOM 12383 C CD . LYS A 1 73 ? 13.190 -1.393 -8.174 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 8 -ATOM 12384 C CE . LYS A 1 73 ? 14.036 -2.646 -8.346 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 8 -ATOM 12385 N NZ . LYS A 1 73 ? 13.213 -3.862 -8.545 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 8 -ATOM 12386 H H . LYS A 1 73 ? 14.230 1.723 -5.373 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 8 -ATOM 12387 H HA . LYS A 1 73 ? 14.734 2.507 -8.141 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 8 -ATOM 12388 H HB2 . LYS A 1 73 ? 12.506 0.884 -6.915 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 8 -ATOM 12389 H HB3 . LYS A 1 73 ? 12.644 1.241 -8.634 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 8 -ATOM 12390 H HG2 . LYS A 1 73 ? 14.732 -0.017 -8.719 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 8 -ATOM 12391 H HG3 . LYS A 1 73 ? 14.617 -0.335 -6.988 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 8 -ATOM 12392 H HD2 . LYS A 1 73 ? 12.508 -1.542 -7.351 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 8 -ATOM 12393 H HD3 . LYS A 1 73 ? 12.629 -1.219 -9.079 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 8 -ATOM 12394 H HE2 . LYS A 1 73 ? 14.665 -2.512 -9.215 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 8 -ATOM 12395 H HE3 . LYS A 1 73 ? 14.663 -2.773 -7.478 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 8 -ATOM 12396 H HZ1 . LYS A 1 73 ? 13.831 -4.687 -8.661 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 8 -ATOM 12397 H HZ2 . LYS A 1 73 ? 12.645 -3.791 -9.412 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 8 -ATOM 12398 H HZ3 . LYS A 1 73 ? 12.570 -4.054 -7.751 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 8 -ATOM 12399 N N . VAL A 1 74 ? 12.950 4.165 -6.157 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 8 -ATOM 12400 C CA . VAL A 1 74 ? 12.118 5.356 -5.915 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 8 -ATOM 12401 C C . VAL A 1 74 ? 10.641 5.046 -6.280 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 8 -ATOM 12402 O O . VAL A 1 74 ? 9.898 5.882 -6.759 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 8 -ATOM 12403 C CB . VAL A 1 74 ? 12.687 6.606 -6.705 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 8 -ATOM 12404 C CG1 . VAL A 1 74 ? 11.960 7.906 -6.356 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 8 -ATOM 12405 C CG2 . VAL A 1 74 ? 14.176 6.770 -6.435 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 8 -ATOM 12406 H H . VAL A 1 74 ? 13.452 3.799 -5.399 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 8 -ATOM 12407 H HA . VAL A 1 74 ? 12.162 5.553 -4.854 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 8 -ATOM 12408 H HB . VAL A 1 74 ? 12.558 6.420 -7.761 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 8 -ATOM 12409 H HG11 . VAL A 1 74 ? 10.925 7.812 -6.649 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 8 -ATOM 12410 H HG12 . VAL A 1 74 ? 12.412 8.732 -6.886 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 8 -ATOM 12411 H HG13 . VAL A 1 74 ? 12.017 8.079 -5.292 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 8 -ATOM 12412 H HG21 . VAL A 1 74 ? 14.698 5.885 -6.769 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 8 -ATOM 12413 H HG22 . VAL A 1 74 ? 14.335 6.906 -5.376 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 8 -ATOM 12414 H HG23 . VAL A 1 74 ? 14.546 7.634 -6.966 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 8 -ATOM 12415 N N . VAL A 1 75 ? 10.213 3.846 -5.980 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 8 -ATOM 12416 C CA . VAL A 1 75 ? 8.869 3.433 -6.319 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 8 -ATOM 12417 C C . VAL A 1 75 ? 8.238 2.649 -5.178 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 8 -ATOM 12418 O O . VAL A 1 75 ? 8.908 1.874 -4.478 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 8 -ATOM 12419 C CB . VAL A 1 75 ? 8.815 2.631 -7.667 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 8 -ATOM 12420 C CG1 . VAL A 1 75 ? 9.647 1.375 -7.606 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 8 -ATOM 12421 C CG2 . VAL A 1 75 ? 7.380 2.312 -8.086 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 8 -ATOM 12422 H H . VAL A 1 75 ? 10.794 3.233 -5.481 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 8 -ATOM 12423 H HA . VAL A 1 75 ? 8.288 4.338 -6.437 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 8 -ATOM 12424 H HB . VAL A 1 75 ? 9.258 3.253 -8.431 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 8 -ATOM 12425 H HG11 . VAL A 1 75 ? 9.279 0.739 -6.816 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 8 -ATOM 12426 H HG12 . VAL A 1 75 ? 10.673 1.645 -7.413 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 8 -ATOM 12427 H HG13 . VAL A 1 75 ? 9.575 0.860 -8.553 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 8 -ATOM 12428 H HG21 . VAL A 1 75 ? 6.909 1.714 -7.320 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 8 -ATOM 12429 H HG22 . VAL A 1 75 ? 7.391 1.760 -9.014 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 8 -ATOM 12430 H HG23 . VAL A 1 75 ? 6.823 3.228 -8.218 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 8 -ATOM 12431 N N . VAL A 1 76 ? 6.992 2.907 -4.967 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 8 -ATOM 12432 C CA . VAL A 1 76 ? 6.202 2.291 -3.956 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 8 -ATOM 12433 C C . VAL A 1 76 ? 5.207 1.342 -4.620 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 8 -ATOM 12434 O O . VAL A 1 76 ? 4.461 1.752 -5.504 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 8 -ATOM 12435 C CB . VAL A 1 76 ? 5.420 3.376 -3.171 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 8 -ATOM 12436 C CG1 . VAL A 1 76 ? 4.582 2.772 -2.076 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 8 -ATOM 12437 C CG2 . VAL A 1 76 ? 6.355 4.438 -2.611 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 8 -ATOM 12438 H H . VAL A 1 76 ? 6.538 3.572 -5.532 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 8 -ATOM 12439 H HA . VAL A 1 76 ? 6.839 1.752 -3.270 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 8 -ATOM 12440 H HB . VAL A 1 76 ? 4.751 3.859 -3.869 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 8 -ATOM 12441 H HG11 . VAL A 1 76 ? 3.868 2.089 -2.511 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 8 -ATOM 12442 H HG12 . VAL A 1 76 ? 4.054 3.553 -1.549 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 8 -ATOM 12443 H HG13 . VAL A 1 76 ? 5.219 2.234 -1.389 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 8 -ATOM 12444 H HG21 . VAL A 1 76 ? 5.793 5.151 -2.026 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 8 -ATOM 12445 H HG22 . VAL A 1 76 ? 6.834 4.952 -3.433 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 8 -ATOM 12446 H HG23 . VAL A 1 76 ? 7.111 3.972 -1.998 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 8 -ATOM 12447 N N . PHE A 1 77 ? 5.211 0.096 -4.214 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 8 -ATOM 12448 C CA . PHE A 1 77 ? 4.286 -0.889 -4.755 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 8 -ATOM 12449 C C . PHE A 1 77 ? 3.326 -1.351 -3.687 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 8 -ATOM 12450 O O . PHE A 1 77 ? 3.745 -1.920 -2.686 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 8 -ATOM 12451 C CB . PHE A 1 77 ? 5.007 -2.118 -5.335 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 8 -ATOM 12452 C CG . PHE A 1 77 ? 5.771 -1.888 -6.599 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 8 -ATOM 12453 C CD1 . PHE A 1 77 ? 5.110 -1.787 -7.807 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 8 -ATOM 12454 C CD2 . PHE A 1 77 ? 7.149 -1.807 -6.589 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 8 -ATOM 12455 C CE1 . PHE A 1 77 ? 5.807 -1.605 -8.981 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 8 -ATOM 12456 C CE2 . PHE A 1 77 ? 7.852 -1.622 -7.760 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 8 -ATOM 12457 C CZ . PHE A 1 77 ? 7.182 -1.522 -8.957 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 8 -ATOM 12458 H H . PHE A 1 77 ? 5.834 -0.155 -3.497 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 8 -ATOM 12459 H HA . PHE A 1 77 ? 3.725 -0.411 -5.546 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 8 -ATOM 12460 H HB2 . PHE A 1 77 ? 5.715 -2.480 -4.605 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 8 -ATOM 12461 H HB3 . PHE A 1 77 ? 4.282 -2.897 -5.521 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 8 -ATOM 12462 H HD1 . PHE A 1 77 ? 4.031 -1.847 -7.826 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 8 -ATOM 12463 H HD2 . PHE A 1 77 ? 7.679 -1.885 -5.650 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 8 -ATOM 12464 H HE1 . PHE A 1 77 ? 5.275 -1.528 -9.917 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 8 -ATOM 12465 H HE2 . PHE A 1 77 ? 8.930 -1.558 -7.742 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 8 -ATOM 12466 H HZ . PHE A 1 77 ? 7.732 -1.381 -9.875 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 8 -ATOM 12467 N N . VAL A 1 78 ? 2.061 -1.089 -3.884 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 8 -ATOM 12468 C CA . VAL A 1 78 ? 1.023 -1.556 -2.970 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 8 -ATOM 12469 C C . VAL A 1 78 ? 0.922 -3.063 -3.095 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 8 -ATOM 12470 O O . VAL A 1 78 ? 0.681 -3.552 -4.178 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 8 -ATOM 12471 C CB . VAL A 1 78 ? -0.350 -0.914 -3.307 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 8 -ATOM 12472 C CG1 . VAL A 1 78 ? -1.451 -1.435 -2.389 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 8 -ATOM 12473 C CG2 . VAL A 1 78 ? -0.261 0.607 -3.239 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 8 -ATOM 12474 H H . VAL A 1 78 ? 1.823 -0.564 -4.681 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 8 -ATOM 12475 H HA . VAL A 1 78 ? 1.308 -1.301 -1.962 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 8 -ATOM 12476 H HB . VAL A 1 78 ? -0.608 -1.192 -4.318 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 8 -ATOM 12477 H HG11 . VAL A 1 78 ? -1.547 -2.503 -2.519 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 8 -ATOM 12478 H HG12 . VAL A 1 78 ? -2.387 -0.955 -2.638 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 8 -ATOM 12479 H HG13 . VAL A 1 78 ? -1.200 -1.222 -1.361 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 8 -ATOM 12480 H HG21 . VAL A 1 78 ? -1.227 1.035 -3.456 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 8 -ATOM 12481 H HG22 . VAL A 1 78 ? 0.454 0.951 -3.971 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 8 -ATOM 12482 H HG23 . VAL A 1 78 ? 0.061 0.913 -2.254 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 8 -ATOM 12483 N N . ILE A 1 79 ? 1.113 -3.784 -2.002 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 8 -ATOM 12484 C CA . ILE A 1 79 ? 1.121 -5.242 -2.055 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 8 -ATOM 12485 C C . ILE A 1 79 ? -0.245 -5.799 -1.688 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 8 -ATOM 12486 O O . ILE A 1 79 ? -0.762 -6.706 -2.351 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 8 -ATOM 12487 C CB . ILE A 1 79 ? 2.159 -5.851 -1.066 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 8 -ATOM 12488 C CG1 . ILE A 1 79 ? 3.566 -5.301 -1.317 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 8 -ATOM 12489 C CG2 . ILE A 1 79 ? 2.171 -7.381 -1.173 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 8 -ATOM 12490 C CD1 . ILE A 1 79 ? 4.602 -5.838 -0.344 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 8 -ATOM 12491 H H . ILE A 1 79 ? 1.216 -3.334 -1.134 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 8 -ATOM 12492 H HA . ILE A 1 79 ? 1.380 -5.550 -3.057 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 8 -ATOM 12493 H HB . ILE A 1 79 ? 1.853 -5.594 -0.062 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 8 -ATOM 12494 H HG12 . ILE A 1 79 ? 3.881 -5.566 -2.315 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 8 -ATOM 12495 H HG13 . ILE A 1 79 ? 3.547 -4.224 -1.224 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 8 -ATOM 12496 H HG21 . ILE A 1 79 ? 2.888 -7.783 -0.472 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 8 -ATOM 12497 H HG22 . ILE A 1 79 ? 2.453 -7.661 -2.175 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 8 -ATOM 12498 H HG23 . ILE A 1 79 ? 1.187 -7.765 -0.951 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 8 -ATOM 12499 H HD11 . ILE A 1 79 ? 4.594 -6.917 -0.390 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 8 -ATOM 12500 H HD12 . ILE A 1 79 ? 4.355 -5.525 0.660 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 8 -ATOM 12501 H HD13 . ILE A 1 79 ? 5.582 -5.479 -0.616 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 8 -ATOM 12502 N N . SER A 1 80 ? -0.842 -5.247 -0.672 1.00 0.00 ? ? ? ? ? ? 77 SER A N 8 -ATOM 12503 C CA . SER A 1 80 ? -2.094 -5.744 -0.198 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 8 -ATOM 12504 C C . SER A 1 80 ? -3.001 -4.597 0.218 1.00 0.00 ? ? ? ? ? ? 77 SER A C 8 -ATOM 12505 O O . SER A 1 80 ? -2.534 -3.570 0.722 1.00 0.00 ? ? ? ? ? ? 77 SER A O 8 -ATOM 12506 C CB . SER A 1 80 ? -1.850 -6.748 0.952 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 8 -ATOM 12507 O OG . SER A 1 80 ? -1.045 -6.184 1.982 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 8 -ATOM 12508 H H . SER A 1 80 ? -0.451 -4.480 -0.198 1.00 0.00 ? ? ? ? ? ? 77 SER A H 8 -ATOM 12509 H HA . SER A 1 80 ? -2.563 -6.270 -1.015 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 8 -ATOM 12510 H HB2 . SER A 1 80 ? -2.790 -7.056 1.383 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 8 -ATOM 12511 H HB3 . SER A 1 80 ? -1.330 -7.609 0.556 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 8 -ATOM 12512 H HG . SER A 1 80 ? -0.955 -6.822 2.700 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 8 -ATOM 12513 N N . VAL A 1 81 ? -4.276 -4.749 -0.035 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 8 -ATOM 12514 C CA . VAL A 1 81 ? -5.247 -3.756 0.318 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 8 -ATOM 12515 C C . VAL A 1 81 ? -6.572 -4.449 0.625 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 8 -ATOM 12516 O O . VAL A 1 81 ? -6.907 -5.474 0.003 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 8 -ATOM 12517 C CB . VAL A 1 81 ? -5.407 -2.669 -0.809 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 8 -ATOM 12518 C CG1 . VAL A 1 81 ? -5.849 -3.274 -2.134 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 8 -ATOM 12519 C CG2 . VAL A 1 81 ? -6.353 -1.555 -0.384 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 8 -ATOM 12520 H H . VAL A 1 81 ? -4.618 -5.559 -0.469 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 8 -ATOM 12521 H HA . VAL A 1 81 ? -4.900 -3.278 1.222 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 8 -ATOM 12522 H HB . VAL A 1 81 ? -4.431 -2.237 -0.974 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 8 -ATOM 12523 H HG11 . VAL A 1 81 ? -5.944 -2.492 -2.874 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 8 -ATOM 12524 H HG12 . VAL A 1 81 ? -6.803 -3.762 -2.004 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 8 -ATOM 12525 H HG13 . VAL A 1 81 ? -5.116 -3.996 -2.462 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 8 -ATOM 12526 H HG21 . VAL A 1 81 ? -5.968 -1.070 0.501 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 8 -ATOM 12527 H HG22 . VAL A 1 81 ? -7.326 -1.973 -0.169 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 8 -ATOM 12528 H HG23 . VAL A 1 81 ? -6.442 -0.832 -1.183 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 8 -ATOM 12529 N N . GLY A 1 82 ? -7.266 -3.957 1.619 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 8 -ATOM 12530 C CA . GLY A 1 82 ? -8.546 -4.504 1.982 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 8 -ATOM 12531 C C . GLY A 1 82 ? -8.802 -4.330 3.451 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 8 -ATOM 12532 O O . GLY A 1 82 ? -8.466 -3.296 4.017 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 8 -ATOM 12533 H H . GLY A 1 82 ? -6.887 -3.215 2.145 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 8 -ATOM 12534 H HA2 . GLY A 1 82 ? -9.315 -3.989 1.425 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 8 -ATOM 12535 H HA3 . GLY A 1 82 ? -8.578 -5.555 1.737 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 8 -ATOM 12536 N N . LYS A 1 83 ? -9.374 -5.314 4.078 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 8 -ATOM 12537 C CA . LYS A 1 83 ? -9.655 -5.251 5.493 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 8 -ATOM 12538 C C . LYS A 1 83 ? -8.872 -6.316 6.223 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 8 -ATOM 12539 O O . LYS A 1 83 ? -8.492 -7.330 5.636 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 8 -ATOM 12540 C CB . LYS A 1 83 ? -11.154 -5.421 5.782 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 8 -ATOM 12541 C CG . LYS A 1 83 ? -12.040 -4.330 5.191 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 8 -ATOM 12542 C CD . LYS A 1 83 ? -13.518 -4.553 5.511 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 8 -ATOM 12543 C CE . LYS A 1 83 ? -13.801 -4.480 7.006 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 8 -ATOM 12544 N NZ . LYS A 1 83 ? -15.230 -4.699 7.318 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 8 -ATOM 12545 H H . LYS A 1 83 ? -9.601 -6.135 3.590 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 8 -ATOM 12546 H HA . LYS A 1 83 ? -9.338 -4.282 5.849 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 8 -ATOM 12547 H HB2 . LYS A 1 83 ? -11.477 -6.371 5.384 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 8 -ATOM 12548 H HB3 . LYS A 1 83 ? -11.287 -5.428 6.854 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 8 -ATOM 12549 H HG2 . LYS A 1 83 ? -11.736 -3.376 5.596 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 8 -ATOM 12550 H HG3 . LYS A 1 83 ? -11.911 -4.318 4.119 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 8 -ATOM 12551 H HD2 . LYS A 1 83 ? -14.099 -3.789 5.017 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 8 -ATOM 12552 H HD3 . LYS A 1 83 ? -13.816 -5.525 5.144 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 8 -ATOM 12553 H HE2 . LYS A 1 83 ? -13.224 -5.242 7.508 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 8 -ATOM 12554 H HE3 . LYS A 1 83 ? -13.504 -3.507 7.367 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 8 -ATOM 12555 H HZ1 . LYS A 1 83 ? -15.396 -4.646 8.342 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 8 -ATOM 12556 H HZ2 . LYS A 1 83 ? -15.510 -5.655 7.027 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 8 -ATOM 12557 H HZ3 . LYS A 1 83 ? -15.855 -4.017 6.842 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 8 -ATOM 12558 N N . ALA A 1 84 ? -8.630 -6.081 7.482 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 8 -ATOM 12559 C CA . ALA A 1 84 ? -7.922 -7.007 8.314 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 8 -ATOM 12560 C C . ALA A 1 84 ? -8.713 -7.198 9.578 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 8 -ATOM 12561 O O . ALA A 1 84 ? -9.099 -6.212 10.223 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 8 -ATOM 12562 C CB . ALA A 1 84 ? -6.535 -6.473 8.643 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 8 -ATOM 12563 H H . ALA A 1 84 ? -8.965 -5.264 7.904 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 8 -ATOM 12564 H HA . ALA A 1 84 ? -7.821 -7.939 7.776 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 8 -ATOM 12565 H HB1 . ALA A 1 84 ? -6.015 -7.182 9.271 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 8 -ATOM 12566 H HB2 . ALA A 1 84 ? -6.630 -5.534 9.169 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 8 -ATOM 12567 H HB3 . ALA A 1 84 ? -5.978 -6.321 7.731 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 8 -ATOM 12568 N N . GLU A 1 85 ? -8.961 -8.418 9.928 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 8 -ATOM 12569 C CA . GLU A 1 85 ? -9.710 -8.739 11.115 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 8 -ATOM 12570 C C . GLU A 1 85 ? -8.735 -8.978 12.243 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 8 -ATOM 12571 O O . GLU A 1 85 ? -8.969 -8.578 13.391 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 8 -ATOM 12572 C CB . GLU A 1 85 ? -10.568 -9.982 10.883 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 8 -ATOM 12573 C CG . GLU A 1 85 ? -11.572 -9.841 9.747 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 8 -ATOM 12574 C CD . GLU A 1 85 ? -12.579 -8.740 9.979 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 8 -ATOM 12575 O OE1 . GLU A 1 85 ? -13.544 -8.948 10.734 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 8 -ATOM 12576 O OE2 . GLU A 1 85 ? -12.433 -7.648 9.401 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 8 -ATOM 12577 H H . GLU A 1 85 ? -8.587 -9.163 9.399 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 8 -ATOM 12578 H HA . GLU A 1 85 ? -10.345 -7.902 11.360 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 8 -ATOM 12579 H HB2 . GLU A 1 85 ? -9.918 -10.815 10.659 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 8 -ATOM 12580 H HB3 . GLU A 1 85 ? -11.115 -10.199 11.789 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 8 -ATOM 12581 H HG2 . GLU A 1 85 ? -11.032 -9.619 8.839 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 8 -ATOM 12582 H HG3 . GLU A 1 85 ? -12.100 -10.775 9.627 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 8 -ATOM 12583 N N . ALA A 1 86 ? -7.639 -9.606 11.906 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 8 -ATOM 12584 C CA . ALA A 1 86 ? -6.595 -9.881 12.841 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 8 -ATOM 12585 C C . ALA A 1 86 ? -5.249 -9.445 12.271 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 8 -ATOM 12586 O O . ALA A 1 86 ? -4.619 -8.511 12.797 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 8 -ATOM 12587 C CB . ALA A 1 86 ? -6.580 -11.358 13.206 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 8 -ATOM 12588 H H . ALA A 1 86 ? -7.531 -9.908 10.971 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 8 -ATOM 12589 H HA . ALA A 1 86 ? -6.798 -9.310 13.735 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 8 -ATOM 12590 H HB1 . ALA A 1 86 ? -7.541 -11.638 13.612 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 8 -ATOM 12591 H HB2 . ALA A 1 86 ? -5.811 -11.539 13.941 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 8 -ATOM 12592 H HB3 . ALA A 1 86 ? -6.378 -11.944 12.321 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 8 -ATOM 12593 N N . SER A 1 87 ? -4.827 -10.068 11.170 1.00 0.00 ? ? ? ? ? ? 84 SER A N 8 -ATOM 12594 C CA . SER A 1 87 ? -3.515 -9.769 10.597 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 8 -ATOM 12595 C C . SER A 1 87 ? -3.434 -10.242 9.120 1.00 0.00 ? ? ? ? ? ? 84 SER A C 8 -ATOM 12596 O O . SER A 1 87 ? -2.339 -10.387 8.554 1.00 0.00 ? ? ? ? ? ? 84 SER A O 8 -ATOM 12597 C CB . SER A 1 87 ? -2.439 -10.478 11.456 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 8 -ATOM 12598 O OG . SER A 1 87 ? -1.123 -10.071 11.121 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 8 -ATOM 12599 H H . SER A 1 87 ? -5.406 -10.749 10.756 1.00 0.00 ? ? ? ? ? ? 84 SER A H 8 -ATOM 12600 H HA . SER A 1 87 ? -3.357 -8.702 10.653 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 8 -ATOM 12601 H HB2 . SER A 1 87 ? -2.614 -10.267 12.500 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 8 -ATOM 12602 H HB3 . SER A 1 87 ? -2.522 -11.543 11.296 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 8 -ATOM 12603 H HG . SER A 1 87 ? -0.909 -10.432 10.253 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 8 -ATOM 12604 N N . GLU A 1 88 ? -4.589 -10.372 8.487 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 8 -ATOM 12605 C CA . GLU A 1 88 ? -4.732 -10.941 7.140 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 8 -ATOM 12606 C C . GLU A 1 88 ? -3.922 -10.182 6.094 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 8 -ATOM 12607 O O . GLU A 1 88 ? -3.210 -10.786 5.301 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 8 -ATOM 12608 C CB . GLU A 1 88 ? -6.219 -10.974 6.720 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 8 -ATOM 12609 C CG . GLU A 1 88 ? -7.137 -11.881 7.561 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 8 -ATOM 12610 C CD . GLU A 1 88 ? -7.131 -11.524 9.022 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 8 -ATOM 12611 O OE1 . GLU A 1 88 ? -7.221 -10.324 9.346 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 8 -ATOM 12612 O OE2 . GLU A 1 88 ? -6.904 -12.400 9.854 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 8 -ATOM 12613 H H . GLU A 1 88 ? -5.429 -10.103 8.926 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 8 -ATOM 12614 H HA . GLU A 1 88 ? -4.376 -11.960 7.177 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 8 -ATOM 12615 H HB2 . GLU A 1 88 ? -6.612 -9.970 6.776 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 8 -ATOM 12616 H HB3 . GLU A 1 88 ? -6.265 -11.301 5.694 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 8 -ATOM 12617 H HG2 . GLU A 1 88 ? -8.148 -11.795 7.192 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 8 -ATOM 12618 H HG3 . GLU A 1 88 ? -6.804 -12.902 7.452 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 8 -ATOM 12619 N N . VAL A 1 89 ? -3.993 -8.858 6.126 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 8 -ATOM 12620 C CA . VAL A 1 89 ? -3.300 -8.023 5.136 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 8 -ATOM 12621 C C . VAL A 1 89 ? -1.770 -8.155 5.217 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 8 -ATOM 12622 O O . VAL A 1 89 ? -1.070 -7.972 4.218 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 8 -ATOM 12623 C CB . VAL A 1 89 ? -3.721 -6.526 5.219 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 8 -ATOM 12624 C CG1 . VAL A 1 89 ? -5.202 -6.365 4.909 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 8 -ATOM 12625 C CG2 . VAL A 1 89 ? -3.387 -5.925 6.582 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 8 -ATOM 12626 H H . VAL A 1 89 ? -4.534 -8.439 6.826 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 8 -ATOM 12627 H HA . VAL A 1 89 ? -3.598 -8.403 4.169 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 8 -ATOM 12628 H HB . VAL A 1 89 ? -3.176 -5.985 4.462 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 8 -ATOM 12629 H HG11 . VAL A 1 89 ? -5.473 -5.322 4.985 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 8 -ATOM 12630 H HG12 . VAL A 1 89 ? -5.784 -6.944 5.609 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 8 -ATOM 12631 H HG13 . VAL A 1 89 ? -5.400 -6.712 3.906 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 8 -ATOM 12632 H HG21 . VAL A 1 89 ? -2.320 -5.961 6.740 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 8 -ATOM 12633 H HG22 . VAL A 1 89 ? -3.876 -6.497 7.356 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 8 -ATOM 12634 H HG23 . VAL A 1 89 ? -3.723 -4.899 6.619 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 8 -ATOM 12635 N N . TYR A 1 90 ? -1.272 -8.519 6.390 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 8 -ATOM 12636 C CA . TYR A 1 90 ? 0.157 -8.685 6.603 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 8 -ATOM 12637 C C . TYR A 1 90 ? 0.570 -10.034 6.051 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 8 -ATOM 12638 O O . TYR A 1 90 ? 1.567 -10.157 5.335 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 8 -ATOM 12639 C CB . TYR A 1 90 ? 0.495 -8.626 8.098 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 8 -ATOM 12640 C CG . TYR A 1 90 ? 0.046 -7.365 8.804 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 8 -ATOM 12641 C CD1 . TYR A 1 90 ? -1.227 -7.270 9.345 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 8 -ATOM 12642 C CD2 . TYR A 1 90 ? 0.892 -6.280 8.939 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 8 -ATOM 12643 C CE1 . TYR A 1 90 ? -1.646 -6.134 9.996 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 8 -ATOM 12644 C CE2 . TYR A 1 90 ? 0.481 -5.138 9.592 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 8 -ATOM 12645 C CZ . TYR A 1 90 ? -0.787 -5.070 10.118 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 8 -ATOM 12646 O OH . TYR A 1 90 ? -1.199 -3.932 10.774 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 8 -ATOM 12647 H H . TYR A 1 90 ? -1.886 -8.707 7.129 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 8 -ATOM 12648 H HA . TYR A 1 90 ? 0.683 -7.901 6.078 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 8 -ATOM 12649 H HB2 . TYR A 1 90 ? 0.021 -9.460 8.595 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 8 -ATOM 12650 H HB3 . TYR A 1 90 ? 1.566 -8.713 8.217 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 8 -ATOM 12651 H HD1 . TYR A 1 90 ? -1.897 -8.111 9.244 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 8 -ATOM 12652 H HD2 . TYR A 1 90 ? 1.888 -6.336 8.526 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 8 -ATOM 12653 H HE1 . TYR A 1 90 ? -2.643 -6.086 10.408 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 8 -ATOM 12654 H HE2 . TYR A 1 90 ? 1.154 -4.299 9.689 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 8 -ATOM 12655 H HH . TYR A 1 90 ? -1.659 -4.223 11.571 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 8 -ATOM 12656 N N . SER A 1 91 ? -0.233 -11.032 6.367 1.00 0.00 ? ? ? ? ? ? 88 SER A N 8 -ATOM 12657 C CA . SER A 1 91 ? -0.020 -12.378 5.921 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 8 -ATOM 12658 C C . SER A 1 91 ? -0.100 -12.465 4.404 1.00 0.00 ? ? ? ? ? ? 88 SER A C 8 -ATOM 12659 O O . SER A 1 91 ? 0.748 -13.086 3.779 1.00 0.00 ? ? ? ? ? ? 88 SER A O 8 -ATOM 12660 C CB . SER A 1 91 ? -1.024 -13.290 6.607 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 8 -ATOM 12661 O OG . SER A 1 91 ? -0.926 -13.129 8.022 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 8 -ATOM 12662 H H . SER A 1 91 ? -1.009 -10.878 6.948 1.00 0.00 ? ? ? ? ? ? 88 SER A H 8 -ATOM 12663 H HA . SER A 1 91 ? 0.975 -12.690 6.194 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 8 -ATOM 12664 H HB2 . SER A 1 91 ? -2.021 -13.026 6.289 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 8 -ATOM 12665 H HB3 . SER A 1 91 ? -0.823 -14.322 6.357 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 8 -ATOM 12666 H HG . SER A 1 91 ? -1.192 -13.964 8.428 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 8 -ATOM 12667 N N . GLU A 1 92 ? -1.075 -11.798 3.813 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 8 -ATOM 12668 C CA . GLU A 1 92 ? -1.206 -11.763 2.362 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 8 -ATOM 12669 C C . GLU A 1 92 ? -0.045 -11.025 1.694 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 8 -ATOM 12670 O O . GLU A 1 92 ? 0.319 -11.318 0.550 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 8 -ATOM 12671 C CB . GLU A 1 92 ? -2.556 -11.209 1.939 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 8 -ATOM 12672 C CG . GLU A 1 92 ? -3.691 -12.184 2.196 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 8 -ATOM 12673 C CD . GLU A 1 92 ? -3.545 -13.444 1.361 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 8 -ATOM 12674 O OE1 . GLU A 1 92 ? -4.028 -13.460 0.214 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 8 -ATOM 12675 O OE2 . GLU A 1 92 ? -2.939 -14.430 1.822 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 8 -ATOM 12676 H H . GLU A 1 92 ? -1.745 -11.333 4.365 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 8 -ATOM 12677 H HA . GLU A 1 92 ? -1.148 -12.795 2.047 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 8 -ATOM 12678 H HB2 . GLU A 1 92 ? -2.751 -10.300 2.488 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 8 -ATOM 12679 H HB3 . GLU A 1 92 ? -2.532 -10.989 0.882 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 8 -ATOM 12680 H HG2 . GLU A 1 92 ? -3.689 -12.456 3.241 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 8 -ATOM 12681 H HG3 . GLU A 1 92 ? -4.628 -11.708 1.947 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 8 -ATOM 12682 N N . ALA A 1 93 ? 0.544 -10.085 2.403 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 8 -ATOM 12683 C CA . ALA A 1 93 ? 1.688 -9.370 1.890 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 8 -ATOM 12684 C C . ALA A 1 93 ? 2.895 -10.308 1.807 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 8 -ATOM 12685 O O . ALA A 1 93 ? 3.538 -10.415 0.762 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 8 -ATOM 12686 C CB . ALA A 1 93 ? 1.996 -8.150 2.744 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 8 -ATOM 12687 H H . ALA A 1 93 ? 0.201 -9.870 3.295 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 8 -ATOM 12688 H HA . ALA A 1 93 ? 1.439 -9.044 0.891 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 8 -ATOM 12689 H HB1 . ALA A 1 93 ? 1.130 -7.505 2.780 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 8 -ATOM 12690 H HB2 . ALA A 1 93 ? 2.829 -7.610 2.317 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 8 -ATOM 12691 H HB3 . ALA A 1 93 ? 2.246 -8.468 3.745 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 8 -ATOM 12692 N N . VAL A 1 94 ? 3.159 -11.042 2.894 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 8 -ATOM 12693 C CA . VAL A 1 94 ? 4.292 -11.972 2.929 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 8 -ATOM 12694 C C . VAL A 1 94 ? 4.024 -13.206 2.027 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 8 -ATOM 12695 O O . VAL A 1 94 ? 4.952 -13.839 1.522 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 8 -ATOM 12696 C CB . VAL A 1 94 ? 4.695 -12.376 4.392 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 8 -ATOM 12697 C CG1 . VAL A 1 94 ? 3.614 -13.164 5.093 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 8 -ATOM 12698 C CG2 . VAL A 1 94 ? 6.021 -13.117 4.432 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 8 -ATOM 12699 H H . VAL A 1 94 ? 2.581 -10.945 3.684 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 8 -ATOM 12700 H HA . VAL A 1 94 ? 5.115 -11.444 2.469 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 8 -ATOM 12701 H HB . VAL A 1 94 ? 4.814 -11.456 4.946 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 8 -ATOM 12702 H HG11 . VAL A 1 94 ? 2.713 -12.571 5.128 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 8 -ATOM 12703 H HG12 . VAL A 1 94 ? 3.935 -13.402 6.097 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 8 -ATOM 12704 H HG13 . VAL A 1 94 ? 3.426 -14.075 4.546 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 8 -ATOM 12705 H HG21 . VAL A 1 94 ? 6.801 -12.485 4.033 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 8 -ATOM 12706 H HG22 . VAL A 1 94 ? 5.948 -14.014 3.835 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 8 -ATOM 12707 H HG23 . VAL A 1 94 ? 6.257 -13.381 5.452 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 8 -ATOM 12708 N N . LYS A 1 95 ? 2.740 -13.480 1.784 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 8 -ATOM 12709 C CA . LYS A 1 95 ? 2.277 -14.540 0.865 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 8 -ATOM 12710 C C . LYS A 1 95 ? 2.752 -14.291 -0.565 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 8 -ATOM 12711 O O . LYS A 1 95 ? 2.894 -15.228 -1.361 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 8 -ATOM 12712 C CB . LYS A 1 95 ? 0.748 -14.600 0.884 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 8 -ATOM 12713 C CG . LYS A 1 95 ? 0.142 -15.438 1.997 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 8 -ATOM 12714 C CD . LYS A 1 95 ? 0.143 -16.918 1.666 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 8 -ATOM 12715 C CE . LYS A 1 95 ? -0.848 -17.235 0.550 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 8 -ATOM 12716 N NZ . LYS A 1 95 ? -2.253 -16.904 0.930 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 8 -ATOM 12717 H H . LYS A 1 95 ? 2.063 -12.954 2.266 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 8 -ATOM 12718 H HA . LYS A 1 95 ? 2.664 -15.486 1.212 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 8 -ATOM 12719 H HB2 . LYS A 1 95 ? 0.411 -13.587 1.052 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 8 -ATOM 12720 H HB3 . LYS A 1 95 ? 0.386 -14.950 -0.070 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 8 -ATOM 12721 H HG2 . LYS A 1 95 ? 0.723 -15.283 2.892 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 8 -ATOM 12722 H HG3 . LYS A 1 95 ? -0.874 -15.111 2.164 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 8 -ATOM 12723 H HD2 . LYS A 1 95 ? 1.132 -17.203 1.343 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 8 -ATOM 12724 H HD3 . LYS A 1 95 ? -0.128 -17.483 2.545 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 8 -ATOM 12725 H HE2 . LYS A 1 95 ? -0.583 -16.686 -0.341 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 8 -ATOM 12726 H HE3 . LYS A 1 95 ? -0.785 -18.291 0.334 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 8 -ATOM 12727 H HZ1 . LYS A 1 95 ? -2.546 -17.436 1.774 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 8 -ATOM 12728 H HZ2 . LYS A 1 95 ? -2.918 -17.160 0.173 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 8 -ATOM 12729 H HZ3 . LYS A 1 95 ? -2.395 -15.889 1.137 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 8 -ATOM 12730 N N . ARG A 1 96 ? 2.988 -13.033 -0.894 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 8 -ATOM 12731 C CA . ARG A 1 96 ? 3.452 -12.682 -2.221 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 8 -ATOM 12732 C C . ARG A 1 96 ? 4.980 -12.715 -2.260 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 8 -ATOM 12733 O O . ARG A 1 96 ? 5.603 -12.663 -3.329 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 8 -ATOM 12734 C CB . ARG A 1 96 ? 2.990 -11.282 -2.605 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 8 -ATOM 12735 C CG . ARG A 1 96 ? 3.171 -10.982 -4.083 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 8 -ATOM 12736 C CD . ARG A 1 96 ? 3.482 -9.529 -4.326 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 8 -ATOM 12737 N NE . ARG A 1 96 ? 4.799 -9.161 -3.776 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 8 -ATOM 12738 C CZ . ARG A 1 96 ? 5.323 -7.936 -3.807 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 8 -ATOM 12739 N NH1 . ARG A 1 96 ? 4.746 -6.971 -4.533 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 8 -ATOM 12740 N NH2 . ARG A 1 96 ? 6.470 -7.699 -3.190 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 8 -ATOM 12741 H H . ARG A 1 96 ? 2.835 -12.325 -0.231 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 8 -ATOM 12742 H HA . ARG A 1 96 ? 3.064 -13.393 -2.929 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 8 -ATOM 12743 H HB2 . ARG A 1 96 ? 1.943 -11.177 -2.357 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 8 -ATOM 12744 H HB3 . ARG A 1 96 ? 3.558 -10.559 -2.040 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 8 -ATOM 12745 H HG2 . ARG A 1 96 ? 3.990 -11.578 -4.452 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 8 -ATOM 12746 H HG3 . ARG A 1 96 ? 2.264 -11.250 -4.606 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 8 -ATOM 12747 H HD2 . ARG A 1 96 ? 3.479 -9.341 -5.389 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 8 -ATOM 12748 H HD3 . ARG A 1 96 ? 2.724 -8.924 -3.853 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 8 -ATOM 12749 H HE . ARG A 1 96 ? 5.288 -9.889 -3.333 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 8 -ATOM 12750 H HH11 . ARG A 1 96 ? 3.914 -7.129 -5.091 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 8 -ATOM 12751 H HH12 . ARG A 1 96 ? 5.124 -6.043 -4.543 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 8 -ATOM 12752 H HH21 . ARG A 1 96 ? 6.993 -8.403 -2.698 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 8 -ATOM 12753 H HH22 . ARG A 1 96 ? 6.866 -6.771 -3.173 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 8 -ATOM 12754 N N . ILE A 1 97 ? 5.568 -12.795 -1.102 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 8 -ATOM 12755 C CA . ILE A 1 97 ? 6.995 -12.735 -0.974 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 8 -ATOM 12756 C C . ILE A 1 97 ? 7.583 -14.147 -0.947 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 8 -ATOM 12757 O O . ILE A 1 97 ? 8.380 -14.518 -1.827 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 8 -ATOM 12758 C CB . ILE A 1 97 ? 7.388 -11.909 0.286 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 8 -ATOM 12759 C CG1 . ILE A 1 97 ? 6.756 -10.509 0.181 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 8 -ATOM 12760 C CG2 . ILE A 1 97 ? 8.900 -11.795 0.416 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 8 -ATOM 12761 C CD1 . ILE A 1 97 ? 6.986 -9.618 1.374 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 8 -ATOM 12762 H H . ILE A 1 97 ? 5.021 -12.932 -0.300 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 8 -ATOM 12763 H HA . ILE A 1 97 ? 7.378 -12.234 -1.850 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 8 -ATOM 12764 H HB . ILE A 1 97 ? 6.995 -12.396 1.165 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 8 -ATOM 12765 H HG12 . ILE A 1 97 ? 7.168 -10.003 -0.678 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 8 -ATOM 12766 H HG13 . ILE A 1 97 ? 5.689 -10.619 0.045 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 8 -ATOM 12767 H HG21 . ILE A 1 97 ? 9.144 -11.240 1.312 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 8 -ATOM 12768 H HG22 . ILE A 1 97 ? 9.291 -11.273 -0.444 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 8 -ATOM 12769 H HG23 . ILE A 1 97 ? 9.329 -12.784 0.472 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 8 -ATOM 12770 H HD11 . ILE A 1 97 ? 8.045 -9.449 1.496 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 8 -ATOM 12771 H HD12 . ILE A 1 97 ? 6.587 -10.093 2.257 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 8 -ATOM 12772 H HD13 . ILE A 1 97 ? 6.481 -8.677 1.208 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 8 -ATOM 12773 N N . LEU A 1 98 ? 7.172 -14.939 0.009 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 8 -ATOM 12774 C CA . LEU A 1 98 ? 7.620 -16.305 0.099 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 8 -ATOM 12775 C C . LEU A 1 98 ? 6.468 -17.194 0.513 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 8 -ATOM 12776 O O . LEU A 1 98 ? 5.842 -17.810 -0.364 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 8 -ATOM 12777 C CB . LEU A 1 98 ? 8.889 -16.516 1.001 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 8 -ATOM 12778 C CG . LEU A 1 98 ? 8.828 -16.159 2.506 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 8 -ATOM 12779 C CD1 . LEU A 1 98 ? 10.035 -16.744 3.217 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 8 -ATOM 12780 C CD2 . LEU A 1 98 ? 8.814 -14.656 2.720 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 8 -ATOM 12781 O OXT . LEU A 1 98 ? 6.131 -17.231 1.705 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 8 -ATOM 12782 H H . LEU A 1 98 ? 6.517 -14.635 0.676 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 8 -ATOM 12783 H HA . LEU A 1 98 ? 7.868 -16.584 -0.914 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 8 -ATOM 12784 H HB2 . LEU A 1 98 ? 9.159 -17.560 0.938 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 8 -ATOM 12785 H HB3 . LEU A 1 98 ? 9.694 -15.948 0.558 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 8 -ATOM 12786 H HG . LEU A 1 98 ? 7.935 -16.582 2.940 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 8 -ATOM 12787 H HD11 . LEU A 1 98 ? 9.988 -16.495 4.266 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 8 -ATOM 12788 H HD12 . LEU A 1 98 ? 10.942 -16.339 2.794 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 8 -ATOM 12789 H HD13 . LEU A 1 98 ? 10.033 -17.818 3.105 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 8 -ATOM 12790 H HD21 . LEU A 1 98 ? 9.717 -14.225 2.315 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 8 -ATOM 12791 H HD22 . LEU A 1 98 ? 8.754 -14.444 3.777 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 8 -ATOM 12792 H HD23 . LEU A 1 98 ? 7.957 -14.234 2.217 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 8 -ATOM 12793 N N . MET A 1 4 ? 10.910 15.241 -1.768 1.00 0.00 ? ? ? ? ? ? 1 MET A N 9 -ATOM 12794 C CA . MET A 1 4 ? 11.088 14.090 -2.645 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 9 -ATOM 12795 C C . MET A 1 4 ? 9.759 13.424 -2.817 1.00 0.00 ? ? ? ? ? ? 1 MET A C 9 -ATOM 12796 O O . MET A 1 4 ? 8.953 13.431 -1.900 1.00 0.00 ? ? ? ? ? ? 1 MET A O 9 -ATOM 12797 C CB . MET A 1 4 ? 12.092 13.087 -2.044 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 9 -ATOM 12798 C CG . MET A 1 4 ? 12.398 11.891 -2.942 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 9 -ATOM 12799 S SD . MET A 1 4 ? 13.552 10.724 -2.197 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 9 -ATOM 12800 C CE . MET A 1 4 ? 13.686 9.513 -3.514 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 9 -ATOM 12801 H H . MET A 1 4 ? 10.266 15.920 -2.225 1.00 0.00 ? ? ? ? ? ? 1 MET A H 9 -ATOM 12802 H HA . MET A 1 4 ? 11.446 14.439 -3.601 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 9 -ATOM 12803 H HB2 . MET A 1 4 ? 13.021 13.596 -1.835 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 9 -ATOM 12804 H HB3 . MET A 1 4 ? 11.676 12.713 -1.122 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 9 -ATOM 12805 H HG2 . MET A 1 4 ? 11.475 11.372 -3.153 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 9 -ATOM 12806 H HG3 . MET A 1 4 ? 12.822 12.253 -3.867 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 9 -ATOM 12807 H HE1 . MET A 1 4 ? 14.046 9.998 -4.409 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 9 -ATOM 12808 H HE2 . MET A 1 4 ? 12.717 9.076 -3.702 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 9 -ATOM 12809 H HE3 . MET A 1 4 ? 14.378 8.738 -3.221 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 9 -ATOM 12810 N N . ALA A 1 5 ? 9.521 12.876 -3.972 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 9 -ATOM 12811 C CA . ALA A 1 5 ? 8.305 12.167 -4.233 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 9 -ATOM 12812 C C . ALA A 1 5 ? 8.642 10.842 -4.862 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 9 -ATOM 12813 O O . ALA A 1 5 ? 9.699 10.697 -5.480 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 9 -ATOM 12814 C CB . ALA A 1 5 ? 7.390 12.973 -5.139 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 9 -ATOM 12815 H H . ALA A 1 5 ? 10.190 12.916 -4.692 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 9 -ATOM 12816 H HA . ALA A 1 5 ? 7.804 11.997 -3.291 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 9 -ATOM 12817 H HB1 . ALA A 1 5 ? 7.877 13.141 -6.089 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 9 -ATOM 12818 H HB2 . ALA A 1 5 ? 7.170 13.922 -4.673 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 9 -ATOM 12819 H HB3 . ALA A 1 5 ? 6.472 12.426 -5.295 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 9 -ATOM 12820 N N . TYR A 1 6 ? 7.787 9.886 -4.673 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 9 -ATOM 12821 C CA . TYR A 1 6 ? 7.963 8.569 -5.227 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 9 -ATOM 12822 C C . TYR A 1 6 ? 6.808 8.291 -6.165 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 9 -ATOM 12823 O O . TYR A 1 6 ? 5.838 9.040 -6.185 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 9 -ATOM 12824 C CB . TYR A 1 6 ? 8.008 7.498 -4.115 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 9 -ATOM 12825 C CG . TYR A 1 6 ? 9.223 7.542 -3.193 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 9 -ATOM 12826 C CD1 . TYR A 1 6 ? 9.426 8.591 -2.302 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 9 -ATOM 12827 C CD2 . TYR A 1 6 ? 10.146 6.505 -3.192 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 9 -ATOM 12828 C CE1 . TYR A 1 6 ? 10.508 8.603 -1.443 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 9 -ATOM 12829 C CE2 . TYR A 1 6 ? 11.233 6.515 -2.339 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 9 -ATOM 12830 C CZ . TYR A 1 6 ? 11.410 7.561 -1.468 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 9 -ATOM 12831 O OH . TYR A 1 6 ? 12.481 7.556 -0.593 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 9 -ATOM 12832 H H . TYR A 1 6 ? 6.970 10.063 -4.162 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 9 -ATOM 12833 H HA . TYR A 1 6 ? 8.889 8.551 -5.782 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 9 -ATOM 12834 H HB2 . TYR A 1 6 ? 7.137 7.611 -3.487 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 9 -ATOM 12835 H HB3 . TYR A 1 6 ? 7.976 6.523 -4.578 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 9 -ATOM 12836 H HD1 . TYR A 1 6 ? 8.718 9.407 -2.287 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 9 -ATOM 12837 H HD2 . TYR A 1 6 ? 10.011 5.681 -3.877 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 9 -ATOM 12838 H HE1 . TYR A 1 6 ? 10.646 9.428 -0.759 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 9 -ATOM 12839 H HE2 . TYR A 1 6 ? 11.942 5.703 -2.351 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 9 -ATOM 12840 H HH . TYR A 1 6 ? 13.267 7.178 -1.023 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 9 -ATOM 12841 N N . PHE A 1 7 ? 6.913 7.248 -6.930 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 9 -ATOM 12842 C CA . PHE A 1 7 ? 5.870 6.874 -7.864 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 9 -ATOM 12843 C C . PHE A 1 7 ? 4.992 5.771 -7.294 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 9 -ATOM 12844 O O . PHE A 1 7 ? 5.366 5.115 -6.323 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 9 -ATOM 12845 C CB . PHE A 1 7 ? 6.495 6.446 -9.195 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 9 -ATOM 12846 C CG . PHE A 1 7 ? 7.178 7.577 -9.911 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 9 -ATOM 12847 C CD1 . PHE A 1 7 ? 6.459 8.425 -10.734 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 9 -ATOM 12848 C CD2 . PHE A 1 7 ? 8.536 7.798 -9.754 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 9 -ATOM 12849 C CE1 . PHE A 1 7 ? 7.080 9.473 -11.382 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 9 -ATOM 12850 C CE2 . PHE A 1 7 ? 9.162 8.841 -10.400 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 9 -ATOM 12851 C CZ . PHE A 1 7 ? 8.435 9.679 -11.215 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 9 -ATOM 12852 H H . PHE A 1 7 ? 7.733 6.710 -6.885 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 9 -ATOM 12853 H HA . PHE A 1 7 ? 5.262 7.750 -8.037 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 9 -ATOM 12854 H HB2 . PHE A 1 7 ? 7.248 5.703 -8.977 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 9 -ATOM 12855 H HB3 . PHE A 1 7 ? 5.755 6.005 -9.846 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 9 -ATOM 12856 H HD1 . PHE A 1 7 ? 5.399 8.263 -10.863 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 9 -ATOM 12857 H HD2 . PHE A 1 7 ? 9.110 7.142 -9.115 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 9 -ATOM 12858 H HE1 . PHE A 1 7 ? 6.509 10.128 -12.023 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 9 -ATOM 12859 H HE2 . PHE A 1 7 ? 10.222 9.002 -10.266 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 9 -ATOM 12860 H HZ . PHE A 1 7 ? 8.925 10.498 -11.719 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 9 -ATOM 12861 N N . LEU A 1 8 ? 3.824 5.584 -7.883 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 9 -ATOM 12862 C CA . LEU A 1 8 ? 2.893 4.542 -7.464 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 9 -ATOM 12863 C C . LEU A 1 8 ? 2.866 3.379 -8.419 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 9 -ATOM 12864 O O . LEU A 1 8 ? 2.740 3.558 -9.647 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 9 -ATOM 12865 C CB . LEU A 1 8 ? 1.447 5.068 -7.309 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 9 -ATOM 12866 C CG . LEU A 1 8 ? 1.007 5.558 -5.927 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 9 -ATOM 12867 C CD1 . LEU A 1 8 ? 1.125 4.447 -4.905 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 9 -ATOM 12868 C CD2 . LEU A 1 8 ? 1.790 6.769 -5.501 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 9 -ATOM 12869 H H . LEU A 1 8 ? 3.570 6.171 -8.625 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 9 -ATOM 12870 H HA . LEU A 1 8 ? 3.222 4.188 -6.499 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 9 -ATOM 12871 H HB2 . LEU A 1 8 ? 1.325 5.889 -8.001 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 9 -ATOM 12872 H HB3 . LEU A 1 8 ? 0.783 4.274 -7.617 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 9 -ATOM 12873 H HG . LEU A 1 8 ? -0.041 5.822 -5.957 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 9 -ATOM 12874 H HD11 . LEU A 1 8 ? 2.148 4.106 -4.848 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 9 -ATOM 12875 H HD12 . LEU A 1 8 ? 0.489 3.624 -5.192 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 9 -ATOM 12876 H HD13 . LEU A 1 8 ? 0.822 4.813 -3.936 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 9 -ATOM 12877 H HD21 . LEU A 1 8 ? 2.841 6.521 -5.495 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 9 -ATOM 12878 H HD22 . LEU A 1 8 ? 1.476 7.065 -4.510 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 9 -ATOM 12879 H HD23 . LEU A 1 8 ? 1.608 7.570 -6.202 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 9 -ATOM 12880 N N . ASP A 1 9 ? 2.978 2.202 -7.873 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 9 -ATOM 12881 C CA . ASP A 1 9 ? 2.794 0.990 -8.626 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 9 -ATOM 12882 C C . ASP A 1 9 ? 1.987 0.042 -7.791 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 9 -ATOM 12883 O O . ASP A 1 9 ? 2.049 0.081 -6.564 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 9 -ATOM 12884 C CB . ASP A 1 9 ? 4.104 0.341 -9.056 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 9 -ATOM 12885 C CG . ASP A 1 9 ? 3.875 -0.808 -10.016 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 9 -ATOM 12886 O OD1 . ASP A 1 9 ? 3.289 -0.582 -11.097 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 9 -ATOM 12887 O OD2 . ASP A 1 9 ? 4.270 -1.938 -9.725 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 9 -ATOM 12888 H H . ASP A 1 9 ? 3.200 2.116 -6.917 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 9 -ATOM 12889 H HA . ASP A 1 9 ? 2.205 1.241 -9.496 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 9 -ATOM 12890 H HB2 . ASP A 1 9 ? 4.757 1.067 -9.516 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 9 -ATOM 12891 H HB3 . ASP A 1 9 ? 4.566 -0.062 -8.168 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 9 -ATOM 12892 N N . PHE A 1 10 ? 1.229 -0.779 -8.430 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 9 -ATOM 12893 C CA . PHE A 1 10 ? 0.332 -1.678 -7.756 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 9 -ATOM 12894 C C . PHE A 1 10 ? 0.505 -3.054 -8.330 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 9 -ATOM 12895 O O . PHE A 1 10 ? 0.598 -3.208 -9.559 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 9 -ATOM 12896 C CB . PHE A 1 10 ? -1.140 -1.257 -7.973 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 9 -ATOM 12897 C CG . PHE A 1 10 ? -1.530 0.118 -7.479 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 9 -ATOM 12898 C CD1 . PHE A 1 10 ? -1.276 1.251 -8.245 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 9 -ATOM 12899 C CD2 . PHE A 1 10 ? -2.169 0.273 -6.261 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 9 -ATOM 12900 C CE1 . PHE A 1 10 ? -1.645 2.505 -7.800 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 9 -ATOM 12901 C CE2 . PHE A 1 10 ? -2.543 1.527 -5.813 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 9 -ATOM 12902 C CZ . PHE A 1 10 ? -2.281 2.642 -6.583 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 9 -ATOM 12903 H H . PHE A 1 10 ? 1.313 -0.821 -9.405 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 9 -ATOM 12904 H HA . PHE A 1 10 ? 0.545 -1.679 -6.699 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 9 -ATOM 12905 H HB2 . PHE A 1 10 ? -1.349 -1.282 -9.032 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 9 -ATOM 12906 H HB3 . PHE A 1 10 ? -1.778 -1.979 -7.484 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 9 -ATOM 12907 H HD1 . PHE A 1 10 ? -0.780 1.143 -9.198 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 9 -ATOM 12908 H HD2 . PHE A 1 10 ? -2.371 -0.597 -5.655 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 9 -ATOM 12909 H HE1 . PHE A 1 10 ? -1.439 3.375 -8.404 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 9 -ATOM 12910 H HE2 . PHE A 1 10 ? -3.042 1.634 -4.861 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 9 -ATOM 12911 H HZ . PHE A 1 10 ? -2.574 3.621 -6.234 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 9 -ATOM 12912 N N . ASP A 1 11 ? 0.583 -4.042 -7.484 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 9 -ATOM 12913 C CA . ASP A 1 11 ? 0.606 -5.414 -7.949 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 9 -ATOM 12914 C C . ASP A 1 11 ? -0.784 -5.760 -8.448 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 9 -ATOM 12915 O O . ASP A 1 11 ? -1.764 -5.158 -8.002 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 9 -ATOM 12916 C CB . ASP A 1 11 ? 0.999 -6.378 -6.827 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 9 -ATOM 12917 C CG . ASP A 1 11 ? 1.032 -7.816 -7.296 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 9 -ATOM 12918 O OD1 . ASP A 1 11 ? 2.064 -8.270 -7.814 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 9 -ATOM 12919 O OD2 . ASP A 1 11 ? 0.020 -8.509 -7.184 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 9 -ATOM 12920 H H . ASP A 1 11 ? 0.636 -3.860 -6.519 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 9 -ATOM 12921 H HA . ASP A 1 11 ? 1.309 -5.490 -8.765 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 9 -ATOM 12922 H HB2 . ASP A 1 11 ? 1.977 -6.113 -6.455 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 9 -ATOM 12923 H HB3 . ASP A 1 11 ? 0.279 -6.297 -6.025 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 9 -ATOM 12924 N N . GLU A 1 12 ? -0.877 -6.694 -9.364 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 9 -ATOM 12925 C CA . GLU A 1 12 ? -2.153 -7.116 -9.906 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 9 -ATOM 12926 C C . GLU A 1 12 ? -3.118 -7.604 -8.809 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 9 -ATOM 12927 O O . GLU A 1 12 ? -4.316 -7.425 -8.932 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 9 -ATOM 12928 C CB . GLU A 1 12 ? -1.971 -8.198 -10.948 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 9 -ATOM 12929 C CG . GLU A 1 12 ? -1.305 -9.442 -10.419 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 9 -ATOM 12930 C CD . GLU A 1 12 ? -1.336 -10.542 -11.405 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 9 -ATOM 12931 O OE1 . GLU A 1 12 ? -2.324 -11.303 -11.410 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 9 -ATOM 12932 O OE2 . GLU A 1 12 ? -0.393 -10.657 -12.206 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 9 -ATOM 12933 H H . GLU A 1 12 ? -0.051 -7.109 -9.693 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 9 -ATOM 12934 H HA . GLU A 1 12 ? -2.596 -6.256 -10.383 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 9 -ATOM 12935 H HB2 . GLU A 1 12 ? -2.941 -8.475 -11.334 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 9 -ATOM 12936 H HB3 . GLU A 1 12 ? -1.369 -7.810 -11.755 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 9 -ATOM 12937 H HG2 . GLU A 1 12 ? -0.277 -9.218 -10.179 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 9 -ATOM 12938 H HG3 . GLU A 1 12 ? -1.823 -9.760 -9.525 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 9 -ATOM 12939 N N . ARG A 1 13 ? -2.590 -8.207 -7.742 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 9 -ATOM 12940 C CA . ARG A 1 13 ? -3.422 -8.663 -6.640 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 9 -ATOM 12941 C C . ARG A 1 13 ? -3.992 -7.481 -5.921 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 9 -ATOM 12942 O O . ARG A 1 13 ? -5.178 -7.447 -5.596 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 9 -ATOM 12943 C CB . ARG A 1 13 ? -2.642 -9.520 -5.657 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 9 -ATOM 12944 C CG . ARG A 1 13 ? -2.187 -10.855 -6.207 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 9 -ATOM 12945 C CD . ARG A 1 13 ? -1.457 -11.649 -5.141 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 9 -ATOM 12946 N NE . ARG A 1 13 ? -2.277 -11.801 -3.929 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 9 -ATOM 12947 C CZ . ARG A 1 13 ? -2.330 -12.888 -3.151 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 9 -ATOM 12948 N NH1 . ARG A 1 13 ? -1.632 -13.987 -3.461 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 9 -ATOM 12949 N NH2 . ARG A 1 13 ? -3.110 -12.873 -2.087 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 9 -ATOM 12950 H H . ARG A 1 13 ? -1.609 -8.335 -7.677 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 9 -ATOM 12951 H HA . ARG A 1 13 ? -4.233 -9.244 -7.053 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 9 -ATOM 12952 H HB2 . ARG A 1 13 ? -1.767 -8.972 -5.342 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 9 -ATOM 12953 H HB3 . ARG A 1 13 ? -3.272 -9.702 -4.799 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 9 -ATOM 12954 H HG2 . ARG A 1 13 ? -3.052 -11.415 -6.532 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 9 -ATOM 12955 H HG3 . ARG A 1 13 ? -1.523 -10.688 -7.042 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 9 -ATOM 12956 H HD2 . ARG A 1 13 ? -1.221 -12.625 -5.533 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 9 -ATOM 12957 H HD3 . ARG A 1 13 ? -0.547 -11.129 -4.880 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 9 -ATOM 12958 H HE . ARG A 1 13 ? -2.808 -11.010 -3.682 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 9 -ATOM 12959 H HH11 . ARG A 1 13 ? -1.052 -14.044 -4.277 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 9 -ATOM 12960 H HH12 . ARG A 1 13 ? -1.647 -14.810 -2.884 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 9 -ATOM 12961 H HH21 . ARG A 1 13 ? -3.665 -12.071 -1.856 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 9 -ATOM 12962 H HH22 . ARG A 1 13 ? -3.183 -13.639 -1.429 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 9 -ATOM 12963 N N . ALA A 1 14 ? -3.150 -6.487 -5.726 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 9 -ATOM 12964 C CA . ALA A 1 14 ? -3.551 -5.263 -5.089 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 9 -ATOM 12965 C C . ALA A 1 14 ? -4.573 -4.550 -5.949 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 9 -ATOM 12966 O O . ALA A 1 14 ? -5.481 -3.944 -5.437 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 9 -ATOM 12967 C CB . ALA A 1 14 ? -2.349 -4.370 -4.828 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 9 -ATOM 12968 H H . ALA A 1 14 ? -2.222 -6.588 -6.027 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 9 -ATOM 12969 H HA . ALA A 1 14 ? -4.008 -5.519 -4.144 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 9 -ATOM 12970 H HB1 . ALA A 1 14 ? -1.889 -4.103 -5.767 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 9 -ATOM 12971 H HB2 . ALA A 1 14 ? -1.635 -4.897 -4.211 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 9 -ATOM 12972 H HB3 . ALA A 1 14 ? -2.672 -3.475 -4.318 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 9 -ATOM 12973 N N . LEU A 1 15 ? -4.445 -4.685 -7.265 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 9 -ATOM 12974 C CA . LEU A 1 15 ? -5.372 -4.077 -8.193 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 9 -ATOM 12975 C C . LEU A 1 15 ? -6.704 -4.754 -8.120 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 9 -ATOM 12976 O O . LEU A 1 15 ? -7.734 -4.106 -8.169 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 9 -ATOM 12977 C CB . LEU A 1 15 ? -4.838 -4.118 -9.613 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 9 -ATOM 12978 C CG . LEU A 1 15 ? -3.717 -3.143 -9.941 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 9 -ATOM 12979 C CD1 . LEU A 1 15 ? -3.194 -3.412 -11.335 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 9 -ATOM 12980 C CD2 . LEU A 1 15 ? -4.229 -1.705 -9.842 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 9 -ATOM 12981 H H . LEU A 1 15 ? -3.708 -5.229 -7.623 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 9 -ATOM 12982 H HA . LEU A 1 15 ? -5.497 -3.047 -7.898 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 9 -ATOM 12983 H HB2 . LEU A 1 15 ? -4.481 -5.120 -9.800 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 9 -ATOM 12984 H HB3 . LEU A 1 15 ? -5.663 -3.927 -10.279 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 9 -ATOM 12985 H HG . LEU A 1 15 ? -2.907 -3.264 -9.237 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 9 -ATOM 12986 H HD11 . LEU A 1 15 ? -3.993 -3.280 -12.049 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 9 -ATOM 12987 H HD12 . LEU A 1 15 ? -2.825 -4.425 -11.390 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 9 -ATOM 12988 H HD13 . LEU A 1 15 ? -2.395 -2.722 -11.553 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 9 -ATOM 12989 H HD21 . LEU A 1 15 ? -3.435 -1.018 -10.095 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 9 -ATOM 12990 H HD22 . LEU A 1 15 ? -4.569 -1.499 -8.836 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 9 -ATOM 12991 H HD23 . LEU A 1 15 ? -5.053 -1.566 -10.525 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 9 -ATOM 12992 N N . LYS A 1 16 ? -6.682 -6.056 -7.980 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 9 -ATOM 12993 C CA . LYS A 1 16 ? -7.894 -6.826 -7.849 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 9 -ATOM 12994 C C . LYS A 1 16 ? -8.641 -6.413 -6.591 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 9 -ATOM 12995 O O . LYS A 1 16 ? -9.856 -6.199 -6.625 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 9 -ATOM 12996 C CB . LYS A 1 16 ? -7.567 -8.314 -7.820 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 9 -ATOM 12997 C CG . LYS A 1 16 ? -7.040 -8.849 -9.138 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 9 -ATOM 12998 C CD . LYS A 1 16 ? -6.473 -10.240 -8.976 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 9 -ATOM 12999 C CE . LYS A 1 16 ? -6.099 -10.866 -10.318 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 9 -ATOM 13000 N NZ . LYS A 1 16 ? -4.974 -10.168 -10.992 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 9 -ATOM 13001 H H . LYS A 1 16 ? -5.811 -6.512 -7.969 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 9 -ATOM 13002 H HA . LYS A 1 16 ? -8.506 -6.616 -8.714 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 9 -ATOM 13003 H HB2 . LYS A 1 16 ? -6.817 -8.488 -7.062 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 9 -ATOM 13004 H HB3 . LYS A 1 16 ? -8.461 -8.864 -7.561 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 9 -ATOM 13005 H HG2 . LYS A 1 16 ? -7.844 -8.879 -9.857 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 9 -ATOM 13006 H HG3 . LYS A 1 16 ? -6.261 -8.189 -9.491 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 9 -ATOM 13007 H HD2 . LYS A 1 16 ? -5.575 -10.117 -8.388 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 9 -ATOM 13008 H HD3 . LYS A 1 16 ? -7.183 -10.863 -8.453 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 9 -ATOM 13009 H HE2 . LYS A 1 16 ? -5.823 -11.897 -10.158 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 9 -ATOM 13010 H HE3 . LYS A 1 16 ? -6.968 -10.835 -10.957 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 9 -ATOM 13011 H HZ1 . LYS A 1 16 ? -4.069 -10.328 -10.511 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 9 -ATOM 13012 H HZ2 . LYS A 1 16 ? -5.150 -9.145 -11.049 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 9 -ATOM 13013 H HZ3 . LYS A 1 16 ? -4.873 -10.494 -11.976 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 9 -ATOM 13014 N N . GLU A 1 17 ? -7.916 -6.260 -5.499 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 9 -ATOM 13015 C CA . GLU A 1 17 ? -8.511 -5.819 -4.255 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 9 -ATOM 13016 C C . GLU A 1 17 ? -8.941 -4.337 -4.330 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 9 -ATOM 13017 O O . GLU A 1 17 ? -9.977 -3.959 -3.823 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 9 -ATOM 13018 C CB . GLU A 1 17 ? -7.601 -6.112 -3.059 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 9 -ATOM 13019 C CG . GLU A 1 17 ? -7.230 -7.591 -2.942 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 9 -ATOM 13020 C CD . GLU A 1 17 ? -6.585 -7.959 -1.625 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 9 -ATOM 13021 O OE1 . GLU A 1 17 ? -5.345 -7.797 -1.460 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 9 -ATOM 13022 O OE2 . GLU A 1 17 ? -7.310 -8.464 -0.719 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 9 -ATOM 13023 H H . GLU A 1 17 ? -6.957 -6.471 -5.526 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 9 -ATOM 13024 H HA . GLU A 1 17 ? -9.420 -6.397 -4.151 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 9 -ATOM 13025 H HB2 . GLU A 1 17 ? -6.691 -5.537 -3.164 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 9 -ATOM 13026 H HB3 . GLU A 1 17 ? -8.105 -5.816 -2.151 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 9 -ATOM 13027 H HG2 . GLU A 1 17 ? -8.123 -8.183 -3.059 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 9 -ATOM 13028 H HG3 . GLU A 1 17 ? -6.544 -7.832 -3.740 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 9 -ATOM 13029 N N . TRP A 1 18 ? -8.150 -3.532 -4.998 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 9 -ATOM 13030 C CA . TRP A 1 18 ? -8.429 -2.099 -5.210 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 9 -ATOM 13031 C C . TRP A 1 18 ? -9.731 -1.920 -6.024 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 9 -ATOM 13032 O O . TRP A 1 18 ? -10.557 -1.040 -5.736 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 9 -ATOM 13033 C CB . TRP A 1 18 ? -7.222 -1.489 -5.953 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 9 -ATOM 13034 C CG . TRP A 1 18 ? -7.263 -0.022 -6.232 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 9 -ATOM 13035 C CD1 . TRP A 1 18 ? -7.726 0.588 -7.359 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 9 -ATOM 13036 C CD2 . TRP A 1 18 ? -6.769 1.017 -5.387 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 9 -ATOM 13037 N NE1 . TRP A 1 18 ? -7.575 1.946 -7.254 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 9 -ATOM 13038 C CE2 . TRP A 1 18 ? -6.985 2.235 -6.053 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 9 -ATOM 13039 C CE3 . TRP A 1 18 ? -6.171 1.035 -4.125 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 9 -ATOM 13040 C CZ2 . TRP A 1 18 ? -6.623 3.457 -5.502 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 9 -ATOM 13041 C CZ3 . TRP A 1 18 ? -5.811 2.248 -3.581 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 9 -ATOM 13042 C CH2 . TRP A 1 18 ? -6.037 3.442 -4.267 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 9 -ATOM 13043 H H . TRP A 1 18 ? -7.305 -3.893 -5.352 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 9 -ATOM 13044 H HA . TRP A 1 18 ? -8.545 -1.617 -4.248 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 9 -ATOM 13045 H HB2 . TRP A 1 18 ? -6.332 -1.667 -5.369 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 9 -ATOM 13046 H HB3 . TRP A 1 18 ? -7.118 -2.005 -6.897 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 9 -ATOM 13047 H HD1 . TRP A 1 18 ? -8.156 0.061 -8.200 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 9 -ATOM 13048 H HE1 . TRP A 1 18 ? -7.848 2.598 -7.937 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 9 -ATOM 13049 H HE3 . TRP A 1 18 ? -5.989 0.120 -3.580 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 9 -ATOM 13050 H HZ2 . TRP A 1 18 ? -6.791 4.389 -6.021 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 9 -ATOM 13051 H HZ3 . TRP A 1 18 ? -5.346 2.283 -2.607 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 9 -ATOM 13052 H HH2 . TRP A 1 18 ? -5.737 4.366 -3.796 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 9 -ATOM 13053 N N . ARG A 1 19 ? -9.901 -2.745 -7.041 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 9 -ATOM 13054 C CA . ARG A 1 19 ? -11.107 -2.723 -7.863 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 9 -ATOM 13055 C C . ARG A 1 19 ? -12.284 -3.359 -7.131 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 9 -ATOM 13056 O O . ARG A 1 19 ? -13.440 -3.102 -7.457 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 9 -ATOM 13057 C CB . ARG A 1 19 ? -10.868 -3.396 -9.203 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 9 -ATOM 13058 C CG . ARG A 1 19 ? -9.778 -2.730 -10.015 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 9 -ATOM 13059 C CD . ARG A 1 19 ? -9.500 -3.489 -11.282 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 9 -ATOM 13060 N NE . ARG A 1 19 ? -8.312 -2.988 -11.972 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 9 -ATOM 13061 C CZ . ARG A 1 19 ? -7.549 -3.726 -12.778 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 9 -ATOM 13062 N NH1 . ARG A 1 19 ? -7.916 -4.973 -13.088 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 9 -ATOM 13063 N NH2 . ARG A 1 19 ? -6.439 -3.213 -13.296 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 9 -ATOM 13064 H H . ARG A 1 19 ? -9.177 -3.376 -7.257 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 9 -ATOM 13065 H HA . ARG A 1 19 ? -11.350 -1.683 -8.030 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 9 -ATOM 13066 H HB2 . ARG A 1 19 ? -10.590 -4.424 -9.032 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 9 -ATOM 13067 H HB3 . ARG A 1 19 ? -11.783 -3.369 -9.775 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 9 -ATOM 13068 H HG2 . ARG A 1 19 ? -10.098 -1.731 -10.270 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 9 -ATOM 13069 H HG3 . ARG A 1 19 ? -8.877 -2.686 -9.422 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 9 -ATOM 13070 H HD2 . ARG A 1 19 ? -9.339 -4.526 -11.028 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 9 -ATOM 13071 H HD3 . ARG A 1 19 ? -10.352 -3.400 -11.939 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 9 -ATOM 13072 H HE . ARG A 1 19 ? -8.079 -2.051 -11.775 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 9 -ATOM 13073 H HH11 . ARG A 1 19 ? -8.762 -5.389 -12.739 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 9 -ATOM 13074 H HH12 . ARG A 1 19 ? -7.346 -5.547 -13.680 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 9 -ATOM 13075 H HH21 . ARG A 1 19 ? -6.143 -2.270 -13.113 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 9 -ATOM 13076 H HH22 . ARG A 1 19 ? -5.830 -3.758 -13.880 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 9 -ATOM 13077 N N . LYS A 1 20 ? -11.974 -4.211 -6.172 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 9 -ATOM 13078 C CA . LYS A 1 20 ? -12.968 -4.835 -5.304 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 9 -ATOM 13079 C C . LYS A 1 20 ? -13.568 -3.754 -4.421 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 9 -ATOM 13080 O O . LYS A 1 20 ? -14.796 -3.665 -4.252 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 9 -ATOM 13081 C CB . LYS A 1 20 ? -12.267 -5.869 -4.428 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 9 -ATOM 13082 C CG . LYS A 1 20 ? -13.146 -6.629 -3.471 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 9 -ATOM 13083 C CD . LYS A 1 20 ? -12.286 -7.419 -2.502 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 9 -ATOM 13084 C CE . LYS A 1 20 ? -13.111 -8.345 -1.642 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 9 -ATOM 13085 N NZ . LYS A 1 20 ? -13.741 -9.404 -2.448 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 9 -ATOM 13086 H H . LYS A 1 20 ? -11.029 -4.438 -6.040 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 9 -ATOM 13087 H HA . LYS A 1 20 ? -13.740 -5.315 -5.888 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 9 -ATOM 13088 H HB2 . LYS A 1 20 ? -11.783 -6.588 -5.071 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 9 -ATOM 13089 H HB3 . LYS A 1 20 ? -11.504 -5.361 -3.858 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 9 -ATOM 13090 H HG2 . LYS A 1 20 ? -13.757 -5.927 -2.921 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 9 -ATOM 13091 H HG3 . LYS A 1 20 ? -13.776 -7.310 -4.022 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 9 -ATOM 13092 H HD2 . LYS A 1 20 ? -11.572 -8.005 -3.062 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 9 -ATOM 13093 H HD3 . LYS A 1 20 ? -11.757 -6.724 -1.866 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 9 -ATOM 13094 H HE2 . LYS A 1 20 ? -12.478 -8.796 -0.892 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 9 -ATOM 13095 H HE3 . LYS A 1 20 ? -13.883 -7.759 -1.167 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 9 -ATOM 13096 H HZ1 . LYS A 1 20 ? -14.464 -9.022 -3.090 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 9 -ATOM 13097 H HZ2 . LYS A 1 20 ? -14.190 -10.121 -1.850 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 9 -ATOM 13098 H HZ3 . LYS A 1 20 ? -13.025 -9.882 -3.035 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 9 -ATOM 13099 N N . LEU A 1 21 ? -12.676 -2.936 -3.885 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 9 -ATOM 13100 C CA . LEU A 1 21 ? -13.004 -1.808 -3.033 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 9 -ATOM 13101 C C . LEU A 1 21 ? -13.905 -0.814 -3.711 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 9 -ATOM 13102 O O . LEU A 1 21 ? -13.882 -0.648 -4.942 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 9 -ATOM 13103 C CB . LEU A 1 21 ? -11.731 -1.091 -2.574 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 9 -ATOM 13104 C CG . LEU A 1 21 ? -11.176 -1.460 -1.203 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 9 -ATOM 13105 C CD1 . LEU A 1 21 ? -10.980 -2.952 -1.046 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 9 -ATOM 13106 C CD2 . LEU A 1 21 ? -9.884 -0.721 -0.959 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 9 -ATOM 13107 H H . LEU A 1 21 ? -11.727 -3.108 -4.069 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 9 -ATOM 13108 H HA . LEU A 1 21 ? -13.501 -2.184 -2.152 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 9 -ATOM 13109 H HB2 . LEU A 1 21 ? -10.960 -1.279 -3.306 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 9 -ATOM 13110 H HB3 . LEU A 1 21 ? -11.936 -0.029 -2.577 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 9 -ATOM 13111 H HG . LEU A 1 21 ? -11.880 -1.131 -0.457 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 9 -ATOM 13112 H HD11 . LEU A 1 21 ? -10.288 -3.308 -1.795 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 9 -ATOM 13113 H HD12 . LEU A 1 21 ? -11.941 -3.429 -1.182 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 9 -ATOM 13114 H HD13 . LEU A 1 21 ? -10.603 -3.169 -0.058 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 9 -ATOM 13115 H HD21 . LEU A 1 21 ? -9.498 -0.981 0.015 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 9 -ATOM 13116 H HD22 . LEU A 1 21 ? -10.087 0.340 -0.994 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 9 -ATOM 13117 H HD23 . LEU A 1 21 ? -9.165 -0.983 -1.721 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 9 -ATOM 13118 N N . GLY A 1 22 ? -14.680 -0.151 -2.906 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 9 -ATOM 13119 C CA . GLY A 1 22 ? -15.568 0.866 -3.392 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 9 -ATOM 13120 C C . GLY A 1 22 ? -14.785 2.102 -3.723 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 9 -ATOM 13121 O O . GLY A 1 22 ? -13.733 2.342 -3.096 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 9 -ATOM 13122 H H . GLY A 1 22 ? -14.611 -0.362 -1.949 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 9 -ATOM 13123 H HA2 . GLY A 1 22 ? -16.074 0.506 -4.277 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 9 -ATOM 13124 H HA3 . GLY A 1 22 ? -16.293 1.100 -2.629 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 9 -ATOM 13125 N N . SER A 1 23 ? -15.281 2.894 -4.667 1.00 0.00 ? ? ? ? ? ? 20 SER A N 9 -ATOM 13126 C CA . SER A 1 23 ? -14.584 4.069 -5.163 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 9 -ATOM 13127 C C . SER A 1 23 ? -14.162 4.983 -4.023 1.00 0.00 ? ? ? ? ? ? 20 SER A C 9 -ATOM 13128 O O . SER A 1 23 ? -13.004 5.265 -3.872 1.00 0.00 ? ? ? ? ? ? 20 SER A O 9 -ATOM 13129 C CB . SER A 1 23 ? -15.448 4.838 -6.181 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 9 -ATOM 13130 O OG . SER A 1 23 ? -14.726 5.932 -6.755 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 9 -ATOM 13131 H H . SER A 1 23 ? -16.165 2.683 -5.041 1.00 0.00 ? ? ? ? ? ? 20 SER A H 9 -ATOM 13132 H HA . SER A 1 23 ? -13.693 3.723 -5.666 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 9 -ATOM 13133 H HB2 . SER A 1 23 ? -15.745 4.167 -6.974 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 9 -ATOM 13134 H HB3 . SER A 1 23 ? -16.331 5.218 -5.689 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 9 -ATOM 13135 H HG . SER A 1 23 ? -14.682 6.684 -6.136 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 9 -ATOM 13136 N N . THR A 1 24 ? -15.100 5.345 -3.192 1.00 0.00 ? ? ? ? ? ? 21 THR A N 9 -ATOM 13137 C CA . THR A 1 24 ? -14.884 6.271 -2.091 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 9 -ATOM 13138 C C . THR A 1 24 ? -13.780 5.769 -1.135 1.00 0.00 ? ? ? ? ? ? 21 THR A C 9 -ATOM 13139 O O . THR A 1 24 ? -12.938 6.552 -0.671 1.00 0.00 ? ? ? ? ? ? 21 THR A O 9 -ATOM 13140 C CB . THR A 1 24 ? -16.202 6.460 -1.314 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 9 -ATOM 13141 O OG1 . THR A 1 24 ? -17.258 6.746 -2.254 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 9 -ATOM 13142 C CG2 . THR A 1 24 ? -16.097 7.607 -0.308 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 9 -ATOM 13143 H H . THR A 1 24 ? -15.992 4.970 -3.330 1.00 0.00 ? ? ? ? ? ? 21 THR A H 9 -ATOM 13144 H HA . THR A 1 24 ? -14.591 7.226 -2.502 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 9 -ATOM 13145 H HB . THR A 1 24 ? -16.432 5.541 -0.794 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 9 -ATOM 13146 H HG1 . THR A 1 24 ? -17.012 7.529 -2.769 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 9 -ATOM 13147 H HG21 . THR A 1 24 ? -17.036 7.718 0.214 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 9 -ATOM 13148 H HG22 . THR A 1 24 ? -15.856 8.524 -0.826 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 9 -ATOM 13149 H HG23 . THR A 1 24 ? -15.315 7.387 0.404 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 9 -ATOM 13150 N N . VAL A 1 25 ? -13.747 4.463 -0.907 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 9 -ATOM 13151 C CA . VAL A 1 25 ? -12.787 3.877 0.005 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 9 -ATOM 13152 C C . VAL A 1 25 ? -11.396 3.907 -0.615 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 9 -ATOM 13153 O O . VAL A 1 25 ? -10.437 4.376 -0.003 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 9 -ATOM 13154 C CB . VAL A 1 25 ? -13.181 2.412 0.349 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 9 -ATOM 13155 C CG1 . VAL A 1 25 ? -12.154 1.763 1.255 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 9 -ATOM 13156 C CG2 . VAL A 1 25 ? -14.561 2.364 0.993 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 9 -ATOM 13157 H H . VAL A 1 25 ? -14.357 3.871 -1.394 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 9 -ATOM 13158 H HA . VAL A 1 25 ? -12.777 4.459 0.914 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 9 -ATOM 13159 H HB . VAL A 1 25 ? -13.220 1.849 -0.573 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 9 -ATOM 13160 H HG11 . VAL A 1 25 ? -12.092 2.316 2.180 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 9 -ATOM 13161 H HG12 . VAL A 1 25 ? -11.191 1.768 0.767 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 9 -ATOM 13162 H HG13 . VAL A 1 25 ? -12.449 0.745 1.464 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 9 -ATOM 13163 H HG21 . VAL A 1 25 ? -14.816 1.342 1.227 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 9 -ATOM 13164 H HG22 . VAL A 1 25 ? -15.290 2.772 0.307 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 9 -ATOM 13165 H HG23 . VAL A 1 25 ? -14.556 2.951 1.899 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 9 -ATOM 13166 N N . ARG A 1 26 ? -11.309 3.479 -1.850 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 9 -ATOM 13167 C CA . ARG A 1 26 ? -10.043 3.469 -2.544 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 9 -ATOM 13168 C C . ARG A 1 26 ? -9.542 4.880 -2.835 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 9 -ATOM 13169 O O . ARG A 1 26 ? -8.353 5.118 -2.831 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 9 -ATOM 13170 C CB . ARG A 1 26 ? -10.055 2.602 -3.787 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 9 -ATOM 13171 C CG . ARG A 1 26 ? -11.115 2.952 -4.794 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 9 -ATOM 13172 C CD . ARG A 1 26 ? -10.809 2.293 -6.102 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 9 -ATOM 13173 N NE . ARG A 1 26 ? -11.819 2.576 -7.112 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 9 -ATOM 13174 C CZ . ARG A 1 26 ? -12.550 1.653 -7.733 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 9 -ATOM 13175 N NH1 . ARG A 1 26 ? -12.443 0.369 -7.401 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 9 -ATOM 13176 N NH2 . ARG A 1 26 ? -13.406 2.024 -8.675 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 9 -ATOM 13177 H H . ARG A 1 26 ? -12.122 3.158 -2.301 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 9 -ATOM 13178 H HA . ARG A 1 26 ? -9.343 3.046 -1.838 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 9 -ATOM 13179 H HB2 . ARG A 1 26 ? -9.092 2.662 -4.271 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 9 -ATOM 13180 H HB3 . ARG A 1 26 ? -10.226 1.582 -3.471 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 9 -ATOM 13181 H HG2 . ARG A 1 26 ? -12.041 2.541 -4.415 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 9 -ATOM 13182 H HG3 . ARG A 1 26 ? -11.242 4.020 -4.905 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 9 -ATOM 13183 H HD2 . ARG A 1 26 ? -9.856 2.684 -6.427 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 9 -ATOM 13184 H HD3 . ARG A 1 26 ? -10.731 1.227 -5.948 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 9 -ATOM 13185 H HE . ARG A 1 26 ? -11.921 3.527 -7.348 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 9 -ATOM 13186 H HH11 . ARG A 1 26 ? -11.821 0.033 -6.684 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 9 -ATOM 13187 H HH12 . ARG A 1 26 ? -13.002 -0.322 -7.862 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 9 -ATOM 13188 H HH21 . ARG A 1 26 ? -13.506 2.990 -8.924 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 9 -ATOM 13189 H HH22 . ARG A 1 26 ? -13.976 1.365 -9.173 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 9 -ATOM 13190 N N . GLU A 1 27 ? -10.457 5.794 -3.107 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 9 -ATOM 13191 C CA . GLU A 1 27 ? -10.128 7.194 -3.350 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 9 -ATOM 13192 C C . GLU A 1 27 ? -9.380 7.800 -2.185 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 9 -ATOM 13193 O O . GLU A 1 27 ? -8.350 8.447 -2.371 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 9 -ATOM 13194 C CB . GLU A 1 27 ? -11.381 8.005 -3.647 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 9 -ATOM 13195 C CG . GLU A 1 27 ? -11.902 7.825 -5.061 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 9 -ATOM 13196 C CD . GLU A 1 27 ? -13.085 8.693 -5.351 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 9 -ATOM 13197 O OE1 . GLU A 1 27 ? -12.897 9.912 -5.563 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 9 -ATOM 13198 O OE2 . GLU A 1 27 ? -14.226 8.195 -5.381 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 9 -ATOM 13199 H H . GLU A 1 27 ? -11.401 5.523 -3.161 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 9 -ATOM 13200 H HA . GLU A 1 27 ? -9.486 7.227 -4.218 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 9 -ATOM 13201 H HB2 . GLU A 1 27 ? -12.146 7.645 -2.973 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 9 -ATOM 13202 H HB3 . GLU A 1 27 ? -11.221 9.050 -3.438 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 9 -ATOM 13203 H HG2 . GLU A 1 27 ? -11.118 8.069 -5.761 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 9 -ATOM 13204 H HG3 . GLU A 1 27 ? -12.190 6.792 -5.194 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 9 -ATOM 13205 N N . GLN A 1 28 ? -9.865 7.551 -0.987 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 9 -ATOM 13206 C CA . GLN A 1 28 ? -9.224 8.058 0.215 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 9 -ATOM 13207 C C . GLN A 1 28 ? -7.856 7.420 0.404 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 9 -ATOM 13208 O O . GLN A 1 28 ? -6.910 8.076 0.843 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 9 -ATOM 13209 C CB . GLN A 1 28 ? -10.123 7.841 1.414 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 9 -ATOM 13210 C CG . GLN A 1 28 ? -11.365 8.712 1.379 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 9 -ATOM 13211 C CD . GLN A 1 28 ? -12.397 8.292 2.383 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 9 -ATOM 13212 O OE1 . GLN A 1 28 ? -12.412 8.742 3.526 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 9 -ATOM 13213 N NE2 . GLN A 1 28 ? -13.268 7.432 1.958 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 9 -ATOM 13214 H H . GLN A 1 28 ? -10.678 7.004 -0.900 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 9 -ATOM 13215 H HA . GLN A 1 28 ? -9.080 9.119 0.072 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 9 -ATOM 13216 H HB2 . GLN A 1 28 ? -10.432 6.807 1.421 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 9 -ATOM 13217 H HB3 . GLN A 1 28 ? -9.579 8.054 2.322 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 9 -ATOM 13218 H HG2 . GLN A 1 28 ? -11.080 9.733 1.586 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 9 -ATOM 13219 H HG3 . GLN A 1 28 ? -11.795 8.653 0.391 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 9 -ATOM 13220 H HE21 . GLN A 1 28 ? -13.170 7.138 1.022 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 9 -ATOM 13221 H HE22 . GLN A 1 28 ? -13.974 7.121 2.566 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 9 -ATOM 13222 N N . LEU A 1 29 ? -7.750 6.159 0.031 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 9 -ATOM 13223 C CA . LEU A 1 29 ? -6.484 5.450 0.080 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 9 -ATOM 13224 C C . LEU A 1 29 ? -5.504 6.027 -0.937 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 9 -ATOM 13225 O O . LEU A 1 29 ? -4.334 6.230 -0.626 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 9 -ATOM 13226 C CB . LEU A 1 29 ? -6.686 3.959 -0.167 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 9 -ATOM 13227 C CG . LEU A 1 29 ? -7.510 3.201 0.880 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 9 -ATOM 13228 C CD1 . LEU A 1 29 ? -7.671 1.755 0.474 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 9 -ATOM 13229 C CD2 . LEU A 1 29 ? -6.861 3.289 2.256 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 9 -ATOM 13230 H H . LEU A 1 29 ? -8.553 5.687 -0.280 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 9 -ATOM 13231 H HA . LEU A 1 29 ? -6.068 5.590 1.066 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 9 -ATOM 13232 H HB2 . LEU A 1 29 ? -7.174 3.865 -1.127 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 9 -ATOM 13233 H HB3 . LEU A 1 29 ? -5.711 3.501 -0.242 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 9 -ATOM 13234 H HG . LEU A 1 29 ? -8.497 3.634 0.940 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 9 -ATOM 13235 H HD11 . LEU A 1 29 ? -8.161 1.699 -0.486 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 9 -ATOM 13236 H HD12 . LEU A 1 29 ? -8.265 1.239 1.212 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 9 -ATOM 13237 H HD13 . LEU A 1 29 ? -6.699 1.289 0.407 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 9 -ATOM 13238 H HD21 . LEU A 1 29 ? -7.437 2.706 2.959 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 9 -ATOM 13239 H HD22 . LEU A 1 29 ? -6.841 4.319 2.583 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 9 -ATOM 13240 H HD23 . LEU A 1 29 ? -5.853 2.904 2.208 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 9 -ATOM 13241 N N . LYS A 1 30 ? -5.991 6.300 -2.147 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 9 -ATOM 13242 C CA . LYS A 1 30 ? -5.173 6.900 -3.197 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 9 -ATOM 13243 C C . LYS A 1 30 ? -4.632 8.247 -2.746 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 9 -ATOM 13244 O O . LYS A 1 30 ? -3.457 8.547 -2.927 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 9 -ATOM 13245 C CB . LYS A 1 30 ? -5.985 7.117 -4.470 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 9 -ATOM 13246 C CG . LYS A 1 30 ? -5.156 7.704 -5.607 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 9 -ATOM 13247 C CD . LYS A 1 30 ? -6.006 8.184 -6.770 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 9 -ATOM 13248 C CE . LYS A 1 30 ? -6.819 9.424 -6.396 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 9 -ATOM 13249 N NZ . LYS A 1 30 ? -7.619 9.926 -7.537 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 9 -ATOM 13250 H H . LYS A 1 30 ? -6.924 6.049 -2.343 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 9 -ATOM 13251 H HA . LYS A 1 30 ? -4.350 6.235 -3.415 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 9 -ATOM 13252 H HB2 . LYS A 1 30 ? -6.397 6.170 -4.789 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 9 -ATOM 13253 H HB3 . LYS A 1 30 ? -6.796 7.790 -4.240 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 9 -ATOM 13254 H HG2 . LYS A 1 30 ? -4.615 8.548 -5.207 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 9 -ATOM 13255 H HG3 . LYS A 1 30 ? -4.456 6.956 -5.951 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 9 -ATOM 13256 H HD2 . LYS A 1 30 ? -5.354 8.429 -7.596 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 9 -ATOM 13257 H HD3 . LYS A 1 30 ? -6.680 7.390 -7.057 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 9 -ATOM 13258 H HE2 . LYS A 1 30 ? -7.485 9.172 -5.584 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 9 -ATOM 13259 H HE3 . LYS A 1 30 ? -6.133 10.191 -6.066 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 9 -ATOM 13260 H HZ1 . LYS A 1 30 ? -7.005 10.184 -8.336 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 9 -ATOM 13261 H HZ2 . LYS A 1 30 ? -8.178 10.761 -7.272 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 9 -ATOM 13262 H HZ3 . LYS A 1 30 ? -8.276 9.191 -7.867 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 9 -ATOM 13263 N N . LYS A 1 31 ? -5.495 9.044 -2.138 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 9 -ATOM 13264 C CA . LYS A 1 31 ? -5.108 10.355 -1.639 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 9 -ATOM 13265 C C . LYS A 1 31 ? -4.052 10.224 -0.568 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 9 -ATOM 13266 O O . LYS A 1 31 ? -3.144 11.061 -0.464 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 9 -ATOM 13267 C CB . LYS A 1 31 ? -6.309 11.129 -1.114 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 9 -ATOM 13268 C CG . LYS A 1 31 ? -7.353 11.400 -2.166 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 9 -ATOM 13269 C CD . LYS A 1 31 ? -8.447 12.296 -1.644 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 9 -ATOM 13270 C CE . LYS A 1 31 ? -9.477 12.556 -2.715 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 9 -ATOM 13271 N NZ . LYS A 1 31 ? -10.411 13.625 -2.332 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 9 -ATOM 13272 H H . LYS A 1 31 ? -6.423 8.734 -2.047 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 9 -ATOM 13273 H HA . LYS A 1 31 ? -4.678 10.896 -2.469 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 9 -ATOM 13274 H HB2 . LYS A 1 31 ? -6.768 10.561 -0.320 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 9 -ATOM 13275 H HB3 . LYS A 1 31 ? -5.970 12.076 -0.721 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 9 -ATOM 13276 H HG2 . LYS A 1 31 ? -6.885 11.877 -3.015 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 9 -ATOM 13277 H HG3 . LYS A 1 31 ? -7.787 10.461 -2.477 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 9 -ATOM 13278 H HD2 . LYS A 1 31 ? -8.925 11.811 -0.805 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 9 -ATOM 13279 H HD3 . LYS A 1 31 ? -8.017 13.234 -1.324 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 9 -ATOM 13280 H HE2 . LYS A 1 31 ? -8.973 12.821 -3.632 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 9 -ATOM 13281 H HE3 . LYS A 1 31 ? -10.030 11.641 -2.869 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 9 -ATOM 13282 H HZ1 . LYS A 1 31 ? -10.938 13.387 -1.469 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 9 -ATOM 13283 H HZ2 . LYS A 1 31 ? -11.103 13.794 -3.090 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 9 -ATOM 13284 H HZ3 . LYS A 1 31 ? -9.895 14.513 -2.162 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 9 -ATOM 13285 N N . LYS A 1 32 ? -4.165 9.173 0.211 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 9 -ATOM 13286 C CA . LYS A 1 32 ? -3.187 8.877 1.227 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 9 -ATOM 13287 C C . LYS A 1 32 ? -1.845 8.536 0.632 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 9 -ATOM 13288 O O . LYS A 1 32 ? -0.814 8.950 1.151 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 9 -ATOM 13289 C CB . LYS A 1 32 ? -3.657 7.799 2.185 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 9 -ATOM 13290 C CG . LYS A 1 32 ? -4.083 8.329 3.539 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 9 -ATOM 13291 C CD . LYS A 1 32 ? -5.242 9.295 3.451 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 9 -ATOM 13292 C CE . LYS A 1 32 ? -5.553 9.869 4.812 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 9 -ATOM 13293 N NZ . LYS A 1 32 ? -4.427 10.680 5.349 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 9 -ATOM 13294 H H . LYS A 1 32 ? -4.945 8.587 0.093 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 9 -ATOM 13295 H HA . LYS A 1 32 ? -3.053 9.790 1.777 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 9 -ATOM 13296 H HB2 . LYS A 1 32 ? -4.496 7.285 1.741 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 9 -ATOM 13297 H HB3 . LYS A 1 32 ? -2.848 7.098 2.323 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 9 -ATOM 13298 H HG2 . LYS A 1 32 ? -4.386 7.500 4.162 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 9 -ATOM 13299 H HG3 . LYS A 1 32 ? -3.242 8.831 3.994 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 9 -ATOM 13300 H HD2 . LYS A 1 32 ? -4.985 10.100 2.778 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 9 -ATOM 13301 H HD3 . LYS A 1 32 ? -6.112 8.774 3.080 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 9 -ATOM 13302 H HE2 . LYS A 1 32 ? -6.451 10.467 4.769 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 9 -ATOM 13303 H HE3 . LYS A 1 32 ? -5.702 9.019 5.462 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 9 -ATOM 13304 H HZ1 . LYS A 1 32 ? -4.107 11.381 4.644 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 9 -ATOM 13305 H HZ2 . LYS A 1 32 ? -3.621 10.087 5.629 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 9 -ATOM 13306 H HZ3 . LYS A 1 32 ? -4.745 11.204 6.188 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 9 -ATOM 13307 N N . LEU A 1 33 ? -1.861 7.801 -0.452 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 9 -ATOM 13308 C CA . LEU A 1 33 ? -0.662 7.475 -1.175 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 9 -ATOM 13309 C C . LEU A 1 33 ? -0.011 8.751 -1.682 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 9 -ATOM 13310 O O . LEU A 1 33 ? 1.183 8.951 -1.525 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 9 -ATOM 13311 C CB . LEU A 1 33 ? -0.998 6.549 -2.340 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 9 -ATOM 13312 C CG . LEU A 1 33 ? -1.672 5.234 -1.954 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 9 -ATOM 13313 C CD1 . LEU A 1 33 ? -2.031 4.420 -3.182 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 9 -ATOM 13314 C CD2 . LEU A 1 33 ? -0.783 4.441 -1.013 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 9 -ATOM 13315 H H . LEU A 1 33 ? -2.706 7.423 -0.775 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 9 -ATOM 13316 H HA . LEU A 1 33 ? 0.012 6.967 -0.503 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 9 -ATOM 13317 H HB2 . LEU A 1 33 ? -1.653 7.085 -3.010 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 9 -ATOM 13318 H HB3 . LEU A 1 33 ? -0.082 6.322 -2.864 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 9 -ATOM 13319 H HG . LEU A 1 33 ? -2.592 5.457 -1.435 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 9 -ATOM 13320 H HD11 . LEU A 1 33 ? -2.685 4.997 -3.819 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 9 -ATOM 13321 H HD12 . LEU A 1 33 ? -2.535 3.514 -2.882 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 9 -ATOM 13322 H HD13 . LEU A 1 33 ? -1.136 4.164 -3.730 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 9 -ATOM 13323 H HD21 . LEU A 1 33 ? 0.175 4.263 -1.478 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 9 -ATOM 13324 H HD22 . LEU A 1 33 ? -1.256 3.499 -0.786 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 9 -ATOM 13325 H HD23 . LEU A 1 33 ? -0.647 5.007 -0.101 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 9 -ATOM 13326 N N . VAL A 1 34 ? -0.827 9.632 -2.228 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 9 -ATOM 13327 C CA . VAL A 1 34 ? -0.358 10.891 -2.777 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 9 -ATOM 13328 C C . VAL A 1 34 ? 0.307 11.776 -1.699 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 9 -ATOM 13329 O O . VAL A 1 34 ? 1.398 12.316 -1.921 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 9 -ATOM 13330 C CB . VAL A 1 34 ? -1.525 11.655 -3.473 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 9 -ATOM 13331 C CG1 . VAL A 1 34 ? -1.076 13.008 -3.998 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 9 -ATOM 13332 C CG2 . VAL A 1 34 ? -2.083 10.818 -4.606 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 9 -ATOM 13333 H H . VAL A 1 34 ? -1.784 9.409 -2.272 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 9 -ATOM 13334 H HA . VAL A 1 34 ? 0.387 10.658 -3.526 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 9 -ATOM 13335 H HB . VAL A 1 34 ? -2.324 11.813 -2.762 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 9 -ATOM 13336 H HG11 . VAL A 1 34 ? -0.714 13.605 -3.173 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 9 -ATOM 13337 H HG12 . VAL A 1 34 ? -1.912 13.507 -4.464 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 9 -ATOM 13338 H HG13 . VAL A 1 34 ? -0.284 12.871 -4.719 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 9 -ATOM 13339 H HG21 . VAL A 1 34 ? -1.315 10.630 -5.342 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 9 -ATOM 13340 H HG22 . VAL A 1 34 ? -2.914 11.338 -5.058 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 9 -ATOM 13341 H HG23 . VAL A 1 34 ? -2.429 9.881 -4.194 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 9 -ATOM 13342 N N . GLU A 1 35 ? -0.319 11.890 -0.536 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 9 -ATOM 13343 C CA . GLU A 1 35 ? 0.260 12.682 0.544 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 9 -ATOM 13344 C C . GLU A 1 35 ? 1.522 12.013 1.131 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 9 -ATOM 13345 O O . GLU A 1 35 ? 2.562 12.668 1.320 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 9 -ATOM 13346 C CB . GLU A 1 35 ? -0.777 13.029 1.642 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 9 -ATOM 13347 C CG . GLU A 1 35 ? -1.399 11.830 2.327 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 9 -ATOM 13348 C CD . GLU A 1 35 ? -2.423 12.186 3.385 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 9 -ATOM 13349 O OE1 . GLU A 1 35 ? -2.049 12.379 4.560 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 9 -ATOM 13350 O OE2 . GLU A 1 35 ? -3.629 12.232 3.083 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 9 -ATOM 13351 H H . GLU A 1 35 ? -1.185 11.442 -0.415 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 9 -ATOM 13352 H HA . GLU A 1 35 ? 0.587 13.599 0.077 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 9 -ATOM 13353 H HB2 . GLU A 1 35 ? -0.303 13.641 2.394 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 9 -ATOM 13354 H HB3 . GLU A 1 35 ? -1.569 13.601 1.181 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 9 -ATOM 13355 H HG2 . GLU A 1 35 ? -1.880 11.245 1.559 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 9 -ATOM 13356 H HG3 . GLU A 1 35 ? -0.611 11.244 2.777 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 9 -ATOM 13357 N N . VAL A 1 36 ? 1.457 10.705 1.320 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 9 -ATOM 13358 C CA . VAL A 1 36 ? 2.515 9.954 1.973 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 9 -ATOM 13359 C C . VAL A 1 36 ? 3.835 10.017 1.194 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 9 -ATOM 13360 O O . VAL A 1 36 ? 4.885 9.991 1.783 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 9 -ATOM 13361 C CB . VAL A 1 36 ? 2.116 8.484 2.308 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 9 -ATOM 13362 C CG1 . VAL A 1 36 ? 2.224 7.548 1.113 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 9 -ATOM 13363 C CG2 . VAL A 1 36 ? 2.891 7.971 3.511 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 9 -ATOM 13364 H H . VAL A 1 36 ? 0.664 10.210 1.015 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 9 -ATOM 13365 H HA . VAL A 1 36 ? 2.696 10.474 2.903 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 9 -ATOM 13366 H HB . VAL A 1 36 ? 1.071 8.507 2.579 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 9 -ATOM 13367 H HG11 . VAL A 1 36 ? 1.901 6.556 1.391 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 9 -ATOM 13368 H HG12 . VAL A 1 36 ? 3.253 7.509 0.787 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 9 -ATOM 13369 H HG13 . VAL A 1 36 ? 1.608 7.923 0.309 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 9 -ATOM 13370 H HG21 . VAL A 1 36 ? 3.945 8.058 3.308 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 9 -ATOM 13371 H HG22 . VAL A 1 36 ? 2.642 6.936 3.689 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 9 -ATOM 13372 H HG23 . VAL A 1 36 ? 2.640 8.560 4.380 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 9 -ATOM 13373 N N . LEU A 1 37 ? 3.748 10.155 -0.130 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 9 -ATOM 13374 C CA . LEU A 1 37 ? 4.919 10.162 -1.034 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 9 -ATOM 13375 C C . LEU A 1 37 ? 5.998 11.171 -0.648 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 9 -ATOM 13376 O O . LEU A 1 37 ? 7.162 10.966 -0.991 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 9 -ATOM 13377 C CB . LEU A 1 37 ? 4.490 10.456 -2.466 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 9 -ATOM 13378 C CG . LEU A 1 37 ? 3.603 9.433 -3.138 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 9 -ATOM 13379 C CD1 . LEU A 1 37 ? 3.202 9.928 -4.513 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 9 -ATOM 13380 C CD2 . LEU A 1 37 ? 4.309 8.086 -3.227 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 9 -ATOM 13381 H H . LEU A 1 37 ? 2.851 10.221 -0.525 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 9 -ATOM 13382 H HA . LEU A 1 37 ? 5.362 9.179 -1.022 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 9 -ATOM 13383 H HB2 . LEU A 1 37 ? 3.956 11.394 -2.457 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 9 -ATOM 13384 H HB3 . LEU A 1 37 ? 5.377 10.582 -3.070 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 9 -ATOM 13385 H HG . LEU A 1 37 ? 2.701 9.310 -2.555 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 9 -ATOM 13386 H HD11 . LEU A 1 37 ? 4.085 10.062 -5.121 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 9 -ATOM 13387 H HD12 . LEU A 1 37 ? 2.687 10.873 -4.419 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 9 -ATOM 13388 H HD13 . LEU A 1 37 ? 2.549 9.209 -4.983 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 9 -ATOM 13389 H HD21 . LEU A 1 37 ? 4.594 7.753 -2.239 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 9 -ATOM 13390 H HD22 . LEU A 1 37 ? 5.186 8.180 -3.848 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 9 -ATOM 13391 H HD23 . LEU A 1 37 ? 3.639 7.361 -3.663 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 9 -ATOM 13392 N N . GLU A 1 38 ? 5.632 12.249 0.049 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 9 -ATOM 13393 C CA . GLU A 1 38 ? 6.636 13.243 0.448 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 9 -ATOM 13394 C C . GLU A 1 38 ? 7.630 12.646 1.462 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 9 -ATOM 13395 O O . GLU A 1 38 ? 8.793 13.056 1.544 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 9 -ATOM 13396 C CB . GLU A 1 38 ? 5.977 14.499 1.015 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 9 -ATOM 13397 C CG . GLU A 1 38 ? 5.129 14.252 2.244 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 9 -ATOM 13398 C CD . GLU A 1 38 ? 4.442 15.486 2.718 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 9 -ATOM 13399 O OE1 . GLU A 1 38 ? 3.310 15.766 2.262 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 9 -ATOM 13400 O OE2 . GLU A 1 38 ? 5.004 16.208 3.566 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 9 -ATOM 13401 H H . GLU A 1 38 ? 4.688 12.360 0.306 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 9 -ATOM 13402 H HA . GLU A 1 38 ? 7.189 13.504 -0.444 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 9 -ATOM 13403 H HB2 . GLU A 1 38 ? 6.753 15.200 1.283 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 9 -ATOM 13404 H HB3 . GLU A 1 38 ? 5.355 14.943 0.252 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 9 -ATOM 13405 H HG2 . GLU A 1 38 ? 4.379 13.511 2.009 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 9 -ATOM 13406 H HG3 . GLU A 1 38 ? 5.762 13.879 3.035 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 9 -ATOM 13407 N N . SER A 1 39 ? 7.160 11.687 2.230 1.00 0.00 ? ? ? ? ? ? 36 SER A N 9 -ATOM 13408 C CA . SER A 1 39 ? 7.942 10.983 3.224 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 9 -ATOM 13409 C C . SER A 1 39 ? 7.273 9.644 3.518 1.00 0.00 ? ? ? ? ? ? 36 SER A C 9 -ATOM 13410 O O . SER A 1 39 ? 6.559 9.508 4.493 1.00 0.00 ? ? ? ? ? ? 36 SER A O 9 -ATOM 13411 C CB . SER A 1 39 ? 8.073 11.809 4.522 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 9 -ATOM 13412 O OG . SER A 1 39 ? 8.719 13.059 4.283 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 9 -ATOM 13413 H H . SER A 1 39 ? 6.228 11.392 2.119 1.00 0.00 ? ? ? ? ? ? 36 SER A H 9 -ATOM 13414 H HA . SER A 1 39 ? 8.924 10.778 2.825 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 9 -ATOM 13415 H HB2 . SER A 1 39 ? 7.089 11.999 4.923 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 9 -ATOM 13416 H HB3 . SER A 1 39 ? 8.651 11.249 5.242 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 9 -ATOM 13417 H HG . SER A 1 39 ? 8.776 13.150 3.321 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 9 -ATOM 13418 N N . PRO A 1 40 ? 7.419 8.651 2.620 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 9 -ATOM 13419 C CA . PRO A 1 40 ? 6.783 7.354 2.810 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 9 -ATOM 13420 C C . PRO A 1 40 ? 7.508 6.528 3.856 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 9 -ATOM 13421 O O . PRO A 1 40 ? 6.919 5.674 4.512 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 9 -ATOM 13422 C CB . PRO A 1 40 ? 6.859 6.709 1.429 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 9 -ATOM 13423 C CG . PRO A 1 40 ? 8.054 7.325 0.791 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 9 -ATOM 13424 C CD . PRO A 1 40 ? 8.149 8.728 1.335 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 9 -ATOM 13425 H HA . PRO A 1 40 ? 5.754 7.464 3.114 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 9 -ATOM 13426 H HB2 . PRO A 1 40 ? 6.959 5.640 1.533 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 9 -ATOM 13427 H HB3 . PRO A 1 40 ? 5.959 6.935 0.875 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 9 -ATOM 13428 H HG2 . PRO A 1 40 ? 8.936 6.761 1.056 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 9 -ATOM 13429 H HG3 . PRO A 1 40 ? 7.928 7.345 -0.281 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 9 -ATOM 13430 H HD2 . PRO A 1 40 ? 9.181 9.010 1.491 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 9 -ATOM 13431 H HD3 . PRO A 1 40 ? 7.661 9.422 0.666 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 9 -ATOM 13432 N N . ARG A 1 41 ? 8.781 6.829 4.042 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 9 -ATOM 13433 C CA . ARG A 1 41 ? 9.613 6.150 5.014 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 9 -ATOM 13434 C C . ARG A 1 41 ? 9.375 6.638 6.448 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 9 -ATOM 13435 O O . ARG A 1 41 ? 10.225 7.250 7.076 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 9 -ATOM 13436 C CB . ARG A 1 41 ? 11.111 6.130 4.599 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 9 -ATOM 13437 C CG . ARG A 1 41 ? 11.625 7.388 3.875 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 9 -ATOM 13438 C CD . ARG A 1 41 ? 11.515 8.654 4.706 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 9 -ATOM 13439 N NE . ARG A 1 41 ? 12.021 9.816 3.986 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 9 -ATOM 13440 C CZ . ARG A 1 41 ? 11.950 11.086 4.402 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 9 -ATOM 13441 N NH1 . ARG A 1 41 ? 11.377 11.382 5.567 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 9 -ATOM 13442 N NH2 . ARG A 1 41 ? 12.450 12.056 3.644 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 9 -ATOM 13443 H H . ARG A 1 41 ? 9.148 7.555 3.496 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 9 -ATOM 13444 H HA . ARG A 1 41 ? 9.253 5.131 5.002 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 9 -ATOM 13445 H HB2 . ARG A 1 41 ? 11.706 6.001 5.490 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 9 -ATOM 13446 H HB3 . ARG A 1 41 ? 11.272 5.279 3.954 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 9 -ATOM 13447 H HG2 . ARG A 1 41 ? 12.661 7.242 3.612 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 9 -ATOM 13448 H HG3 . ARG A 1 41 ? 11.054 7.515 2.968 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 9 -ATOM 13449 H HD2 . ARG A 1 41 ? 10.474 8.816 4.941 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 9 -ATOM 13450 H HD3 . ARG A 1 41 ? 12.072 8.525 5.621 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 9 -ATOM 13451 H HE . ARG A 1 41 ? 12.445 9.606 3.121 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 9 -ATOM 13452 H HH11 . ARG A 1 41 ? 10.980 10.686 6.172 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 9 -ATOM 13453 H HH12 . ARG A 1 41 ? 11.314 12.322 5.915 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 9 -ATOM 13454 H HH21 . ARG A 1 41 ? 12.882 11.861 2.760 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 9 -ATOM 13455 H HH22 . ARG A 1 41 ? 12.423 13.019 3.925 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 9 -ATOM 13456 N N . ILE A 1 42 ? 8.176 6.431 6.898 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 9 -ATOM 13457 C CA . ILE A 1 42 ? 7.760 6.785 8.228 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 9 -ATOM 13458 C C . ILE A 1 42 ? 7.705 5.546 9.110 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 9 -ATOM 13459 O O . ILE A 1 42 ? 7.005 4.584 8.799 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 9 -ATOM 13460 C CB . ILE A 1 42 ? 6.374 7.497 8.203 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 9 -ATOM 13461 C CG1 . ILE A 1 42 ? 6.504 8.884 7.575 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 9 -ATOM 13462 C CG2 . ILE A 1 42 ? 5.759 7.586 9.589 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 9 -ATOM 13463 C CD1 . ILE A 1 42 ? 5.193 9.633 7.430 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 9 -ATOM 13464 H H . ILE A 1 42 ? 7.534 6.019 6.278 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 9 -ATOM 13465 H HA . ILE A 1 42 ? 8.490 7.469 8.632 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 9 -ATOM 13466 H HB . ILE A 1 42 ? 5.711 6.907 7.587 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 9 -ATOM 13467 H HG12 . ILE A 1 42 ? 7.152 9.477 8.203 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 9 -ATOM 13468 H HG13 . ILE A 1 42 ? 6.948 8.791 6.594 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 9 -ATOM 13469 H HG21 . ILE A 1 42 ? 4.819 8.114 9.527 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 9 -ATOM 13470 H HG22 . ILE A 1 42 ? 6.439 8.100 10.250 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 9 -ATOM 13471 H HG23 . ILE A 1 42 ? 5.583 6.589 9.966 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 9 -ATOM 13472 H HD11 . ILE A 1 42 ? 4.746 9.761 8.404 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 9 -ATOM 13473 H HD12 . ILE A 1 42 ? 4.525 9.067 6.798 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 9 -ATOM 13474 H HD13 . ILE A 1 42 ? 5.381 10.600 6.988 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 9 -ATOM 13475 N N . GLU A 1 43 ? 8.427 5.597 10.211 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 9 -ATOM 13476 C CA . GLU A 1 43 ? 8.501 4.518 11.195 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 9 -ATOM 13477 C C . GLU A 1 43 ? 7.118 4.119 11.725 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 9 -ATOM 13478 O O . GLU A 1 43 ? 6.837 2.943 11.941 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 9 -ATOM 13479 C CB . GLU A 1 43 ? 9.447 4.885 12.368 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 9 -ATOM 13480 C CG . GLU A 1 43 ? 9.054 6.113 13.216 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 9 -ATOM 13481 C CD . GLU A 1 43 ? 9.097 7.429 12.471 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 9 -ATOM 13482 O OE1 . GLU A 1 43 ? 10.207 7.949 12.209 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 9 -ATOM 13483 O OE2 . GLU A 1 43 ? 8.027 7.946 12.108 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 9 -ATOM 13484 H H . GLU A 1 43 ? 8.957 6.409 10.366 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 9 -ATOM 13485 H HA . GLU A 1 43 ? 8.916 3.659 10.688 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 9 -ATOM 13486 H HB2 . GLU A 1 43 ? 9.509 4.038 13.034 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 9 -ATOM 13487 H HB3 . GLU A 1 43 ? 10.429 5.065 11.958 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 9 -ATOM 13488 H HG2 . GLU A 1 43 ? 8.035 5.961 13.539 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 9 -ATOM 13489 H HG3 . GLU A 1 43 ? 9.704 6.169 14.076 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 9 -ATOM 13490 N N . ALA A 1 44 ? 6.249 5.101 11.873 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 9 -ATOM 13491 C CA . ALA A 1 44 ? 4.889 4.889 12.387 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 9 -ATOM 13492 C C . ALA A 1 44 ? 4.004 4.187 11.353 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 9 -ATOM 13493 O O . ALA A 1 44 ? 2.940 3.654 11.671 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 9 -ATOM 13494 C CB . ALA A 1 44 ? 4.272 6.217 12.794 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 9 -ATOM 13495 H H . ALA A 1 44 ? 6.559 6.002 11.639 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 9 -ATOM 13496 H HA . ALA A 1 44 ? 4.962 4.263 13.263 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 9 -ATOM 13497 H HB1 . ALA A 1 44 ? 4.903 6.702 13.524 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 9 -ATOM 13498 H HB2 . ALA A 1 44 ? 3.292 6.046 13.214 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 9 -ATOM 13499 H HB3 . ALA A 1 44 ? 4.184 6.845 11.918 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 9 -ATOM 13500 N N . ASN A 1 45 ? 4.444 4.180 10.123 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 9 -ATOM 13501 C CA . ASN A 1 45 ? 3.687 3.541 9.071 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 9 -ATOM 13502 C C . ASN A 1 45 ? 4.330 2.232 8.705 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 9 -ATOM 13503 O O . ASN A 1 45 ? 3.770 1.461 7.970 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 9 -ATOM 13504 C CB . ASN A 1 45 ? 3.589 4.420 7.799 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 9 -ATOM 13505 C CG . ASN A 1 45 ? 2.811 5.714 7.977 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 9 -ATOM 13506 O OD1 . ASN A 1 45 ? 1.899 5.813 8.791 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 9 -ATOM 13507 N ND2 . ASN A 1 45 ? 3.160 6.716 7.213 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 9 -ATOM 13508 H H . ASN A 1 45 ? 5.312 4.585 9.912 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 9 -ATOM 13509 H HA . ASN A 1 45 ? 2.690 3.354 9.439 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 9 -ATOM 13510 H HB2 . ASN A 1 45 ? 4.587 4.681 7.478 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 9 -ATOM 13511 H HB3 . ASN A 1 45 ? 3.115 3.840 7.022 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 9 -ATOM 13512 H HD21 . ASN A 1 45 ? 3.894 6.587 6.579 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 9 -ATOM 13513 H HD22 . ASN A 1 45 ? 2.671 7.565 7.289 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 9 -ATOM 13514 N N . LYS A 1 46 ? 5.483 1.967 9.258 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 9 -ATOM 13515 C CA . LYS A 1 46 ? 6.261 0.841 8.887 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 9 -ATOM 13516 C C . LYS A 1 46 ? 5.882 -0.424 9.632 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 9 -ATOM 13517 O O . LYS A 1 46 ? 5.592 -0.397 10.834 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 9 -ATOM 13518 C CB . LYS A 1 46 ? 7.731 1.206 9.039 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 9 -ATOM 13519 C CG . LYS A 1 46 ? 8.676 0.056 9.113 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 9 -ATOM 13520 C CD . LYS A 1 46 ? 10.105 0.505 8.882 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 9 -ATOM 13521 C CE . LYS A 1 46 ? 10.373 0.737 7.403 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 9 -ATOM 13522 N NZ . LYS A 1 46 ? 11.722 1.265 7.135 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 9 -ATOM 13523 H H . LYS A 1 46 ? 5.862 2.509 9.981 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 9 -ATOM 13524 H HA . LYS A 1 46 ? 6.084 0.672 7.836 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 9 -ATOM 13525 H HB2 . LYS A 1 46 ? 8.011 1.813 8.193 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 9 -ATOM 13526 H HB3 . LYS A 1 46 ? 7.838 1.799 9.937 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 9 -ATOM 13527 H HG2 . LYS A 1 46 ? 8.555 -0.333 10.112 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 9 -ATOM 13528 H HG3 . LYS A 1 46 ? 8.374 -0.677 8.381 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 9 -ATOM 13529 H HD2 . LYS A 1 46 ? 10.251 1.436 9.414 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 9 -ATOM 13530 H HD3 . LYS A 1 46 ? 10.774 -0.252 9.256 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 9 -ATOM 13531 H HE2 . LYS A 1 46 ? 10.269 -0.206 6.888 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 9 -ATOM 13532 H HE3 . LYS A 1 46 ? 9.641 1.430 7.015 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 9 -ATOM 13533 H HZ1 . LYS A 1 46 ? 11.821 2.246 7.463 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 9 -ATOM 13534 H HZ2 . LYS A 1 46 ? 11.910 1.241 6.106 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 9 -ATOM 13535 H HZ3 . LYS A 1 46 ? 12.446 0.682 7.597 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 9 -ATOM 13536 N N . LEU A 1 47 ? 5.853 -1.512 8.891 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 9 -ATOM 13537 C CA . LEU A 1 47 ? 5.579 -2.831 9.418 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 9 -ATOM 13538 C C . LEU A 1 47 ? 6.870 -3.440 9.911 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 9 -ATOM 13539 O O . LEU A 1 47 ? 7.868 -3.481 9.173 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 9 -ATOM 13540 C CB . LEU A 1 47 ? 5.008 -3.739 8.330 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 9 -ATOM 13541 C CG . LEU A 1 47 ? 3.697 -3.317 7.683 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 9 -ATOM 13542 C CD1 . LEU A 1 47 ? 3.308 -4.317 6.621 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 9 -ATOM 13543 C CD2 . LEU A 1 47 ? 2.606 -3.222 8.713 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 9 -ATOM 13544 H H . LEU A 1 47 ? 6.049 -1.416 7.931 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 9 -ATOM 13545 H HA . LEU A 1 47 ? 4.870 -2.753 10.228 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 9 -ATOM 13546 H HB2 . LEU A 1 47 ? 5.747 -3.805 7.546 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 9 -ATOM 13547 H HB3 . LEU A 1 47 ? 4.876 -4.723 8.755 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 9 -ATOM 13548 H HG . LEU A 1 47 ? 3.817 -2.349 7.216 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 9 -ATOM 13549 H HD11 . LEU A 1 47 ? 2.371 -4.018 6.175 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 9 -ATOM 13550 H HD12 . LEU A 1 47 ? 3.198 -5.292 7.071 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 9 -ATOM 13551 H HD13 . LEU A 1 47 ? 4.071 -4.356 5.860 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 9 -ATOM 13552 H HD21 . LEU A 1 47 ? 2.451 -4.194 9.158 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 9 -ATOM 13553 H HD22 . LEU A 1 47 ? 1.699 -2.899 8.225 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 9 -ATOM 13554 H HD23 . LEU A 1 47 ? 2.894 -2.515 9.475 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 9 -ATOM 13555 N N . ARG A 1 48 ? 6.853 -3.920 11.115 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 9 -ATOM 13556 C CA . ARG A 1 48 ? 8.018 -4.514 11.711 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 9 -ATOM 13557 C C . ARG A 1 48 ? 8.256 -5.894 11.116 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 9 -ATOM 13558 O O . ARG A 1 48 ? 7.409 -6.787 11.244 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 9 -ATOM 13559 C CB . ARG A 1 48 ? 7.824 -4.660 13.211 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 9 -ATOM 13560 C CG . ARG A 1 48 ? 9.016 -5.259 13.927 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 9 -ATOM 13561 C CD . ARG A 1 48 ? 8.621 -5.802 15.280 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 9 -ATOM 13562 N NE . ARG A 1 48 ? 7.623 -6.877 15.141 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 9 -ATOM 13563 C CZ . ARG A 1 48 ? 7.651 -8.038 15.797 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 9 -ATOM 13564 N NH1 . ARG A 1 48 ? 8.541 -8.242 16.765 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 9 -ATOM 13565 N NH2 . ARG A 1 48 ? 6.773 -8.985 15.490 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 9 -ATOM 13566 H H . ARG A 1 48 ? 6.018 -3.887 11.628 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 9 -ATOM 13567 H HA . ARG A 1 48 ? 8.870 -3.878 11.526 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 9 -ATOM 13568 H HB2 . ARG A 1 48 ? 7.628 -3.687 13.636 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 9 -ATOM 13569 H HB3 . ARG A 1 48 ? 6.969 -5.297 13.379 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 9 -ATOM 13570 H HG2 . ARG A 1 48 ? 9.413 -6.065 13.328 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 9 -ATOM 13571 H HG3 . ARG A 1 48 ? 9.769 -4.495 14.054 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 9 -ATOM 13572 H HD2 . ARG A 1 48 ? 9.499 -6.195 15.768 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 9 -ATOM 13573 H HD3 . ARG A 1 48 ? 8.199 -5.007 15.873 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 9 -ATOM 13574 H HE . ARG A 1 48 ? 6.914 -6.712 14.478 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 9 -ATOM 13575 H HH11 . ARG A 1 48 ? 9.207 -7.543 17.031 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 9 -ATOM 13576 H HH12 . ARG A 1 48 ? 8.603 -9.109 17.271 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 9 -ATOM 13577 H HH21 . ARG A 1 48 ? 6.088 -8.842 14.767 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 9 -ATOM 13578 H HH22 . ARG A 1 48 ? 6.763 -9.883 15.936 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 9 -ATOM 13579 N N . GLY A 1 49 ? 9.366 -6.050 10.448 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 9 -ATOM 13580 C CA . GLY A 1 49 ? 9.743 -7.337 9.925 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 9 -ATOM 13581 C C . GLY A 1 49 ? 9.543 -7.445 8.437 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 9 -ATOM 13582 O O . GLY A 1 49 ? 10.024 -8.388 7.804 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 9 -ATOM 13583 H H . GLY A 1 49 ? 9.941 -5.270 10.291 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 9 -ATOM 13584 H HA2 . GLY A 1 49 ? 10.785 -7.510 10.150 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 9 -ATOM 13585 H HA3 . GLY A 1 49 ? 9.150 -8.096 10.413 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 9 -ATOM 13586 N N . MET A 1 50 ? 8.861 -6.492 7.866 1.00 0.00 ? ? ? ? ? ? 47 MET A N 9 -ATOM 13587 C CA . MET A 1 50 ? 8.588 -6.511 6.442 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 9 -ATOM 13588 C C . MET A 1 50 ? 9.530 -5.557 5.735 1.00 0.00 ? ? ? ? ? ? 47 MET A C 9 -ATOM 13589 O O . MET A 1 50 ? 9.763 -4.453 6.239 1.00 0.00 ? ? ? ? ? ? 47 MET A O 9 -ATOM 13590 C CB . MET A 1 50 ? 7.136 -6.120 6.170 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 9 -ATOM 13591 C CG . MET A 1 50 ? 6.102 -7.079 6.759 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 9 -ATOM 13592 S SD . MET A 1 50 ? 6.195 -8.750 6.059 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 9 -ATOM 13593 C CE . MET A 1 50 ? 5.758 -8.432 4.342 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 9 -ATOM 13594 H H . MET A 1 50 ? 8.555 -5.737 8.411 1.00 0.00 ? ? ? ? ? ? 47 MET A H 9 -ATOM 13595 H HA . MET A 1 50 ? 8.759 -7.516 6.085 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 9 -ATOM 13596 H HB2 . MET A 1 50 ? 6.981 -5.135 6.584 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 9 -ATOM 13597 H HB3 . MET A 1 50 ? 6.987 -6.066 5.103 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 9 -ATOM 13598 H HG2 . MET A 1 50 ? 6.262 -7.139 7.826 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 9 -ATOM 13599 H HG3 . MET A 1 50 ? 5.116 -6.679 6.572 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 9 -ATOM 13600 H HE1 . MET A 1 50 ? 4.771 -7.994 4.298 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 9 -ATOM 13601 H HE2 . MET A 1 50 ? 5.762 -9.359 3.790 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 9 -ATOM 13602 H HE3 . MET A 1 50 ? 6.473 -7.751 3.904 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 9 -ATOM 13603 N N . PRO A 1 51 ? 10.100 -5.956 4.575 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 9 -ATOM 13604 C CA . PRO A 1 51 ? 11.064 -5.130 3.822 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 9 -ATOM 13605 C C . PRO A 1 51 ? 10.460 -3.810 3.339 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 9 -ATOM 13606 O O . PRO A 1 51 ? 9.749 -3.772 2.317 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 9 -ATOM 13607 C CB . PRO A 1 51 ? 11.466 -6.013 2.635 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 9 -ATOM 13608 C CG . PRO A 1 51 ? 10.364 -7.010 2.507 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 9 -ATOM 13609 C CD . PRO A 1 51 ? 9.856 -7.248 3.899 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 9 -ATOM 13610 H HA . PRO A 1 51 ? 11.933 -4.913 4.427 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 9 -ATOM 13611 H HB2 . PRO A 1 51 ? 11.561 -5.405 1.748 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 9 -ATOM 13612 H HB3 . PRO A 1 51 ? 12.407 -6.496 2.849 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 9 -ATOM 13613 H HG2 . PRO A 1 51 ? 9.577 -6.604 1.887 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 9 -ATOM 13614 H HG3 . PRO A 1 51 ? 10.742 -7.927 2.079 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 9 -ATOM 13615 H HD2 . PRO A 1 51 ? 8.802 -7.484 3.879 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 9 -ATOM 13616 H HD3 . PRO A 1 51 ? 10.412 -8.043 4.375 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 9 -ATOM 13617 N N . ASP A 1 52 ? 10.681 -2.763 4.148 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 9 -ATOM 13618 C CA . ASP A 1 52 ? 10.197 -1.395 3.909 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 9 -ATOM 13619 C C . ASP A 1 52 ? 8.759 -1.347 3.493 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 9 -ATOM 13620 O O . ASP A 1 52 ? 8.395 -0.655 2.544 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 9 -ATOM 13621 C CB . ASP A 1 52 ? 11.084 -0.594 2.947 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 9 -ATOM 13622 C CG . ASP A 1 52 ? 12.379 -0.175 3.585 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 9 -ATOM 13623 O OD1 . ASP A 1 52 ? 12.353 0.609 4.558 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 9 -ATOM 13624 O OD2 . ASP A 1 52 ? 13.458 -0.620 3.130 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 9 -ATOM 13625 H H . ASP A 1 52 ? 11.199 -2.944 4.960 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 9 -ATOM 13626 H HA . ASP A 1 52 ? 10.232 -0.906 4.872 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 9 -ATOM 13627 H HB2 . ASP A 1 52 ? 11.301 -1.205 2.084 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 9 -ATOM 13628 H HB3 . ASP A 1 52 ? 10.548 0.289 2.628 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 9 -ATOM 13629 N N . CYS A 1 53 ? 7.937 -2.081 4.199 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 9 -ATOM 13630 C CA . CYS A 1 53 ? 6.545 -2.082 3.915 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 9 -ATOM 13631 C C . CYS A 1 53 ? 5.856 -1.182 4.908 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 9 -ATOM 13632 O O . CYS A 1 53 ? 6.231 -1.138 6.095 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 9 -ATOM 13633 C CB . CYS A 1 53 ? 5.997 -3.499 3.970 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 9 -ATOM 13634 S SG . CYS A 1 53 ? 6.875 -4.651 2.885 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 9 -ATOM 13635 H H . CYS A 1 53 ? 8.272 -2.621 4.944 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 9 -ATOM 13636 H HA . CYS A 1 53 ? 6.401 -1.682 2.924 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 9 -ATOM 13637 H HB2 . CYS A 1 53 ? 6.080 -3.868 4.982 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 9 -ATOM 13638 H HB3 . CYS A 1 53 ? 4.960 -3.491 3.674 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 9 -ATOM 13639 H HG . CYS A 1 53 ? 8.047 -4.088 2.607 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 9 -ATOM 13640 N N . TYR A 1 54 ? 4.886 -0.467 4.438 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 9 -ATOM 13641 C CA . TYR A 1 54 ? 4.193 0.501 5.222 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 9 -ATOM 13642 C C . TYR A 1 54 ? 2.709 0.307 5.060 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 9 -ATOM 13643 O O . TYR A 1 54 ? 2.246 -0.080 3.980 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 9 -ATOM 13644 C CB . TYR A 1 54 ? 4.590 1.929 4.787 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 9 -ATOM 13645 C CG . TYR A 1 54 ? 6.077 2.227 4.901 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 9 -ATOM 13646 C CD1 . TYR A 1 54 ? 6.943 1.904 3.875 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 9 -ATOM 13647 C CD2 . TYR A 1 54 ? 6.612 2.816 6.030 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 9 -ATOM 13648 C CE1 . TYR A 1 54 ? 8.292 2.155 3.973 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 9 -ATOM 13649 C CE2 . TYR A 1 54 ? 7.961 3.073 6.126 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 9 -ATOM 13650 C CZ . TYR A 1 54 ? 8.792 2.736 5.093 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 9 -ATOM 13651 O OH . TYR A 1 54 ? 10.142 2.975 5.193 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 9 -ATOM 13652 H H . TYR A 1 54 ? 4.612 -0.586 3.500 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 9 -ATOM 13653 H HA . TYR A 1 54 ? 4.463 0.369 6.259 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 9 -ATOM 13654 H HB2 . TYR A 1 54 ? 4.307 2.073 3.755 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 9 -ATOM 13655 H HB3 . TYR A 1 54 ? 4.058 2.642 5.399 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 9 -ATOM 13656 H HD1 . TYR A 1 54 ? 6.546 1.442 2.985 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 9 -ATOM 13657 H HD2 . TYR A 1 54 ? 5.967 3.081 6.855 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 9 -ATOM 13658 H HE1 . TYR A 1 54 ? 8.949 1.894 3.157 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 9 -ATOM 13659 H HE2 . TYR A 1 54 ? 8.360 3.538 7.016 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 9 -ATOM 13660 H HH . TYR A 1 54 ? 10.483 3.280 4.348 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 9 -ATOM 13661 N N . LYS A 1 55 ? 1.975 0.561 6.114 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 9 -ATOM 13662 C CA . LYS A 1 55 ? 0.546 0.420 6.091 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 9 -ATOM 13663 C C . LYS A 1 55 ? -0.110 1.762 6.302 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 9 -ATOM 13664 O O . LYS A 1 55 ? 0.380 2.600 7.075 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 9 -ATOM 13665 C CB . LYS A 1 55 ? 0.007 -0.596 7.156 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 9 -ATOM 13666 C CG . LYS A 1 55 ? -0.026 -0.124 8.644 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 9 -ATOM 13667 C CD . LYS A 1 55 ? 1.357 0.110 9.234 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 9 -ATOM 13668 C CE . LYS A 1 55 ? 1.319 0.509 10.712 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 9 -ATOM 13669 N NZ . LYS A 1 55 ? 0.698 1.836 10.953 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 9 -ATOM 13670 H H . LYS A 1 55 ? 2.429 0.881 6.926 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 9 -ATOM 13671 H HA . LYS A 1 55 ? 0.276 0.061 5.109 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 9 -ATOM 13672 H HB2 . LYS A 1 55 ? -1.003 -0.862 6.882 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 9 -ATOM 13673 H HB3 . LYS A 1 55 ? 0.615 -1.486 7.098 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 9 -ATOM 13674 H HG2 . LYS A 1 55 ? -0.576 0.805 8.696 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 9 -ATOM 13675 H HG3 . LYS A 1 55 ? -0.540 -0.872 9.229 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 9 -ATOM 13676 H HD2 . LYS A 1 55 ? 1.935 -0.795 9.131 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 9 -ATOM 13677 H HD3 . LYS A 1 55 ? 1.837 0.900 8.674 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 9 -ATOM 13678 H HE2 . LYS A 1 55 ? 0.771 -0.237 11.269 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 9 -ATOM 13679 H HE3 . LYS A 1 55 ? 2.340 0.534 11.059 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 9 -ATOM 13680 H HZ1 . LYS A 1 55 ? 0.652 2.044 11.971 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 9 -ATOM 13681 H HZ2 . LYS A 1 55 ? -0.280 1.889 10.607 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 9 -ATOM 13682 H HZ3 . LYS A 1 55 ? 1.228 2.615 10.517 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 9 -ATOM 13683 N N . ILE A 1 56 ? -1.165 1.983 5.600 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 9 -ATOM 13684 C CA . ILE A 1 56 ? -1.987 3.139 5.802 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 9 -ATOM 13685 C C . ILE A 1 56 ? -3.368 2.640 6.138 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 9 -ATOM 13686 O O . ILE A 1 56 ? -3.826 1.656 5.553 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 9 -ATOM 13687 C CB . ILE A 1 56 ? -2.049 4.067 4.551 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 9 -ATOM 13688 C CG1 . ILE A 1 56 ? -0.635 4.541 4.171 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 9 -ATOM 13689 C CG2 . ILE A 1 56 ? -2.969 5.269 4.822 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 9 -ATOM 13690 C CD1 . ILE A 1 56 ? -0.582 5.443 2.955 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 9 -ATOM 13691 H H . ILE A 1 56 ? -1.407 1.330 4.903 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 9 -ATOM 13692 H HA . ILE A 1 56 ? -1.595 3.686 6.647 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 9 -ATOM 13693 H HB . ILE A 1 56 ? -2.466 3.502 3.731 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 9 -ATOM 13694 H HG12 . ILE A 1 56 ? -0.216 5.091 5.000 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 9 -ATOM 13695 H HG13 . ILE A 1 56 ? -0.018 3.676 3.978 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 9 -ATOM 13696 H HG21 . ILE A 1 56 ? -3.009 5.905 3.951 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 9 -ATOM 13697 H HG22 . ILE A 1 56 ? -2.595 5.847 5.655 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 9 -ATOM 13698 H HG23 . ILE A 1 56 ? -3.969 4.932 5.055 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 9 -ATOM 13699 H HD11 . ILE A 1 56 ? 0.446 5.699 2.743 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 9 -ATOM 13700 H HD12 . ILE A 1 56 ? -1.137 6.345 3.163 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 9 -ATOM 13701 H HD13 . ILE A 1 56 ? -1.015 4.936 2.106 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 9 -ATOM 13702 N N . LYS A 1 57 ? -4.001 3.265 7.086 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 9 -ATOM 13703 C CA . LYS A 1 57 ? -5.316 2.868 7.484 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 9 -ATOM 13704 C C . LYS A 1 57 ? -6.290 3.996 7.275 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 9 -ATOM 13705 O O . LYS A 1 57 ? -6.000 5.155 7.605 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 9 -ATOM 13706 C CB . LYS A 1 57 ? -5.388 2.283 8.926 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 9 -ATOM 13707 C CG . LYS A 1 57 ? -5.161 3.246 10.084 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 9 -ATOM 13708 C CD . LYS A 1 57 ? -3.775 3.847 10.094 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 9 -ATOM 13709 C CE . LYS A 1 57 ? -3.601 4.698 11.292 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 9 -ATOM 13710 N NZ . LYS A 1 57 ? -2.268 5.336 11.334 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 9 -ATOM 13711 H H . LYS A 1 57 ? -3.584 4.046 7.499 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 9 -ATOM 13712 H HA . LYS A 1 57 ? -5.590 2.092 6.794 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 9 -ATOM 13713 H HB2 . LYS A 1 57 ? -6.366 1.846 9.065 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 9 -ATOM 13714 H HB3 . LYS A 1 57 ? -4.658 1.489 8.998 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 9 -ATOM 13715 H HG2 . LYS A 1 57 ? -5.879 4.050 10.008 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 9 -ATOM 13716 H HG3 . LYS A 1 57 ? -5.321 2.712 11.010 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 9 -ATOM 13717 H HD2 . LYS A 1 57 ? -3.026 3.071 10.089 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 9 -ATOM 13718 H HD3 . LYS A 1 57 ? -3.657 4.475 9.225 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 9 -ATOM 13719 H HE2 . LYS A 1 57 ? -4.379 5.442 11.209 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 9 -ATOM 13720 H HE3 . LYS A 1 57 ? -3.764 4.073 12.155 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 9 -ATOM 13721 H HZ1 . LYS A 1 57 ? -1.503 4.638 11.242 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 9 -ATOM 13722 H HZ2 . LYS A 1 57 ? -2.130 5.808 12.249 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 9 -ATOM 13723 H HZ3 . LYS A 1 57 ? -2.160 6.059 10.596 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 9 -ATOM 13724 N N . LEU A 1 58 ? -7.398 3.679 6.678 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 9 -ATOM 13725 C CA . LEU A 1 58 ? -8.433 4.642 6.411 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 9 -ATOM 13726 C C . LEU A 1 58 ? -9.265 4.732 7.683 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 9 -ATOM 13727 O O . LEU A 1 58 ? -9.870 3.739 8.089 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 9 -ATOM 13728 C CB . LEU A 1 58 ? -9.272 4.146 5.219 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 9 -ATOM 13729 C CG . LEU A 1 58 ? -9.974 5.202 4.346 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 9 -ATOM 13730 C CD1 . LEU A 1 58 ? -10.659 4.531 3.188 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 9 -ATOM 13731 C CD2 . LEU A 1 58 ? -10.978 6.020 5.124 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 9 -ATOM 13732 H H . LEU A 1 58 ? -7.517 2.738 6.416 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 9 -ATOM 13733 H HA . LEU A 1 58 ? -7.984 5.597 6.186 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 9 -ATOM 13734 H HB2 . LEU A 1 58 ? -8.625 3.569 4.577 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 9 -ATOM 13735 H HB3 . LEU A 1 58 ? -10.030 3.482 5.608 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 9 -ATOM 13736 H HG . LEU A 1 58 ? -9.224 5.866 3.941 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 9 -ATOM 13737 H HD11 . LEU A 1 58 ? -11.376 3.817 3.563 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 9 -ATOM 13738 H HD12 . LEU A 1 58 ? -9.928 4.024 2.576 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 9 -ATOM 13739 H HD13 . LEU A 1 58 ? -11.176 5.271 2.596 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 9 -ATOM 13740 H HD21 . LEU A 1 58 ? -11.748 5.372 5.516 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 9 -ATOM 13741 H HD22 . LEU A 1 58 ? -11.417 6.748 4.456 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 9 -ATOM 13742 H HD23 . LEU A 1 58 ? -10.472 6.520 5.935 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 9 -ATOM 13743 N N . ARG A 1 59 ? -9.286 5.912 8.282 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 9 -ATOM 13744 C CA . ARG A 1 59 ? -9.861 6.149 9.612 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 9 -ATOM 13745 C C . ARG A 1 59 ? -11.295 5.628 9.778 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 9 -ATOM 13746 O O . ARG A 1 59 ? -11.558 4.823 10.671 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 9 -ATOM 13747 C CB . ARG A 1 59 ? -9.779 7.642 9.970 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 9 -ATOM 13748 C CG . ARG A 1 59 ? -10.227 7.999 11.388 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 9 -ATOM 13749 C CD . ARG A 1 59 ? -9.327 7.365 12.443 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 9 -ATOM 13750 N NE . ARG A 1 59 ? -7.921 7.772 12.283 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 9 -ATOM 13751 C CZ . ARG A 1 59 ? -6.942 7.538 13.164 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 9 -ATOM 13752 N NH1 . ARG A 1 59 ? -7.201 6.933 14.325 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 9 -ATOM 13753 N NH2 . ARG A 1 59 ? -5.708 7.925 12.884 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 9 -ATOM 13754 H H . ARG A 1 59 ? -8.899 6.680 7.807 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 9 -ATOM 13755 H HA . ARG A 1 59 ? -9.238 5.614 10.313 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 9 -ATOM 13756 H HB2 . ARG A 1 59 ? -8.756 7.967 9.855 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 9 -ATOM 13757 H HB3 . ARG A 1 59 ? -10.396 8.192 9.277 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 9 -ATOM 13758 H HG2 . ARG A 1 59 ? -10.200 9.072 11.508 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 9 -ATOM 13759 H HG3 . ARG A 1 59 ? -11.237 7.647 11.529 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 9 -ATOM 13760 H HD2 . ARG A 1 59 ? -9.668 7.676 13.420 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 9 -ATOM 13761 H HD3 . ARG A 1 59 ? -9.392 6.289 12.367 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 9 -ATOM 13762 H HE . ARG A 1 59 ? -7.703 8.251 11.449 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 9 -ATOM 13763 H HH11 . ARG A 1 59 ? -8.122 6.638 14.594 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 9 -ATOM 13764 H HH12 . ARG A 1 59 ? -6.489 6.739 15.005 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 9 -ATOM 13765 H HH21 . ARG A 1 59 ? -5.506 8.386 12.012 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 9 -ATOM 13766 H HH22 . ARG A 1 59 ? -4.931 7.809 13.508 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 9 -ATOM 13767 N N . SER A 1 60 ? -12.208 6.076 8.946 1.00 0.00 ? ? ? ? ? ? 57 SER A N 9 -ATOM 13768 C CA . SER A 1 60 ? -13.592 5.667 9.096 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 9 -ATOM 13769 C C . SER A 1 60 ? -13.830 4.242 8.597 1.00 0.00 ? ? ? ? ? ? 57 SER A C 9 -ATOM 13770 O O . SER A 1 60 ? -14.354 3.400 9.335 1.00 0.00 ? ? ? ? ? ? 57 SER A O 9 -ATOM 13771 C CB . SER A 1 60 ? -14.536 6.649 8.394 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 9 -ATOM 13772 O OG . SER A 1 60 ? -15.893 6.311 8.631 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 9 -ATOM 13773 H H . SER A 1 60 ? -11.956 6.715 8.244 1.00 0.00 ? ? ? ? ? ? 57 SER A H 9 -ATOM 13774 H HA . SER A 1 60 ? -13.812 5.684 10.152 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 9 -ATOM 13775 H HB2 . SER A 1 60 ? -14.364 7.650 8.758 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 9 -ATOM 13776 H HB3 . SER A 1 60 ? -14.354 6.617 7.330 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 9 -ATOM 13777 H HG . SER A 1 60 ? -16.255 7.004 9.198 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 9 -ATOM 13778 N N . SER A 1 61 ? -13.438 3.976 7.367 1.00 0.00 ? ? ? ? ? ? 58 SER A N 9 -ATOM 13779 C CA . SER A 1 61 ? -13.698 2.707 6.717 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 9 -ATOM 13780 C C . SER A 1 61 ? -12.999 1.513 7.407 1.00 0.00 ? ? ? ? ? ? 58 SER A C 9 -ATOM 13781 O O . SER A 1 61 ? -13.545 0.409 7.439 1.00 0.00 ? ? ? ? ? ? 58 SER A O 9 -ATOM 13782 C CB . SER A 1 61 ? -13.258 2.819 5.279 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 9 -ATOM 13783 O OG . SER A 1 61 ? -13.728 4.030 4.726 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 9 -ATOM 13784 H H . SER A 1 61 ? -12.982 4.659 6.833 1.00 0.00 ? ? ? ? ? ? 58 SER A H 9 -ATOM 13785 H HA . SER A 1 61 ? -14.765 2.539 6.725 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 9 -ATOM 13786 H HB2 . SER A 1 61 ? -12.181 2.801 5.232 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 9 -ATOM 13787 H HB3 . SER A 1 61 ? -13.664 1.996 4.709 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 9 -ATOM 13788 H HG . SER A 1 61 ? -14.657 3.922 4.492 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 9 -ATOM 13789 N N . GLY A 1 62 ? -11.806 1.734 7.945 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 9 -ATOM 13790 C CA . GLY A 1 62 ? -11.096 0.661 8.603 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 9 -ATOM 13791 C C . GLY A 1 62 ? -10.362 -0.230 7.622 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 9 -ATOM 13792 O O . GLY A 1 62 ? -10.137 -1.423 7.879 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 9 -ATOM 13793 H H . GLY A 1 62 ? -11.397 2.628 7.927 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 9 -ATOM 13794 H HA2 . GLY A 1 62 ? -10.387 1.077 9.303 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 9 -ATOM 13795 H HA3 . GLY A 1 62 ? -11.815 0.061 9.136 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 9 -ATOM 13796 N N . TYR A 1 63 ? -10.007 0.325 6.500 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 9 -ATOM 13797 C CA . TYR A 1 63 ? -9.269 -0.406 5.495 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 9 -ATOM 13798 C C . TYR A 1 63 ? -7.799 -0.138 5.650 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 9 -ATOM 13799 O O . TYR A 1 63 ? -7.406 0.930 6.123 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 9 -ATOM 13800 C CB . TYR A 1 63 ? -9.725 -0.045 4.081 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 9 -ATOM 13801 C CG . TYR A 1 63 ? -11.049 -0.654 3.667 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 9 -ATOM 13802 C CD1 . TYR A 1 63 ? -12.240 -0.247 4.237 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 9 -ATOM 13803 C CD2 . TYR A 1 63 ? -11.099 -1.632 2.684 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 9 -ATOM 13804 C CE1 . TYR A 1 63 ? -13.442 -0.791 3.846 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 9 -ATOM 13805 C CE2 . TYR A 1 63 ? -12.302 -2.177 2.282 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 9 -ATOM 13806 C CZ . TYR A 1 63 ? -13.468 -1.751 2.865 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 9 -ATOM 13807 O OH . TYR A 1 63 ? -14.671 -2.280 2.459 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 9 -ATOM 13808 H H . TYR A 1 63 ? -10.223 1.268 6.356 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 9 -ATOM 13809 H HA . TYR A 1 63 ? -9.449 -1.459 5.663 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 9 -ATOM 13810 H HB2 . TYR A 1 63 ? -9.822 1.028 4.009 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 9 -ATOM 13811 H HB3 . TYR A 1 63 ? -8.972 -0.376 3.380 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 9 -ATOM 13812 H HD1 . TYR A 1 63 ? -12.214 0.507 5.009 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 9 -ATOM 13813 H HD2 . TYR A 1 63 ? -10.179 -1.963 2.227 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 9 -ATOM 13814 H HE1 . TYR A 1 63 ? -14.361 -0.458 4.304 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 9 -ATOM 13815 H HE2 . TYR A 1 63 ? -12.323 -2.938 1.516 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 9 -ATOM 13816 H HH . TYR A 1 63 ? -14.544 -3.226 2.302 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 9 -ATOM 13817 N N . ARG A 1 64 ? -7.001 -1.096 5.282 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 9 -ATOM 13818 C CA . ARG A 1 64 ? -5.567 -0.999 5.372 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 9 -ATOM 13819 C C . ARG A 1 64 ? -4.955 -1.237 4.005 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 9 -ATOM 13820 O O . ARG A 1 64 ? -5.439 -2.070 3.237 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 9 -ATOM 13821 C CB . ARG A 1 64 ? -4.964 -2.009 6.381 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 9 -ATOM 13822 C CG . ARG A 1 64 ? -5.135 -1.699 7.882 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 9 -ATOM 13823 C CD . ARG A 1 64 ? -6.568 -1.832 8.403 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 9 -ATOM 13824 N NE . ARG A 1 64 ? -6.601 -1.672 9.866 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 9 -ATOM 13825 C CZ . ARG A 1 64 ? -7.648 -1.932 10.686 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 9 -ATOM 13826 N NH1 . ARG A 1 64 ? -8.851 -2.218 10.199 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 9 -ATOM 13827 N NH2 . ARG A 1 64 ? -7.489 -1.849 11.991 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 9 -ATOM 13828 H H . ARG A 1 64 ? -7.383 -1.904 4.867 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 9 -ATOM 13829 H HA . ARG A 1 64 ? -5.323 0.004 5.691 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 9 -ATOM 13830 H HB2 . ARG A 1 64 ? -5.416 -2.971 6.199 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 9 -ATOM 13831 H HB3 . ARG A 1 64 ? -3.907 -2.091 6.172 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 9 -ATOM 13832 H HG2 . ARG A 1 64 ? -4.512 -2.377 8.446 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 9 -ATOM 13833 H HG3 . ARG A 1 64 ? -4.792 -0.690 8.058 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 9 -ATOM 13834 H HD2 . ARG A 1 64 ? -7.181 -1.070 7.944 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 9 -ATOM 13835 H HD3 . ARG A 1 64 ? -6.951 -2.809 8.148 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 9 -ATOM 13836 H HE . ARG A 1 64 ? -5.740 -1.382 10.249 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 9 -ATOM 13837 H HH11 . ARG A 1 64 ? -9.059 -2.243 9.219 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 9 -ATOM 13838 H HH12 . ARG A 1 64 ? -9.624 -2.435 10.808 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 9 -ATOM 13839 H HH21 . ARG A 1 64 ? -6.613 -1.599 12.410 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 9 -ATOM 13840 H HH22 . ARG A 1 64 ? -8.237 -2.024 12.640 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 9 -ATOM 13841 N N . LEU A 1 65 ? -3.934 -0.503 3.703 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 9 -ATOM 13842 C CA . LEU A 1 65 ? -3.213 -0.640 2.463 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 9 -ATOM 13843 C C . LEU A 1 65 ? -1.747 -0.833 2.809 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 9 -ATOM 13844 O O . LEU A 1 65 ? -1.218 -0.095 3.640 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 9 -ATOM 13845 C CB . LEU A 1 65 ? -3.448 0.625 1.593 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 9 -ATOM 13846 C CG . LEU A 1 65 ? -2.901 0.633 0.143 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 9 -ATOM 13847 C CD1 . LEU A 1 65 ? -3.569 1.736 -0.648 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 9 -ATOM 13848 C CD2 . LEU A 1 65 ? -1.397 0.851 0.110 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 9 -ATOM 13849 H H . LEU A 1 65 ? -3.640 0.182 4.345 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 9 -ATOM 13850 H HA . LEU A 1 65 ? -3.579 -1.514 1.946 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 9 -ATOM 13851 H HB2 . LEU A 1 65 ? -4.514 0.793 1.539 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 9 -ATOM 13852 H HB3 . LEU A 1 65 ? -3.008 1.460 2.118 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 9 -ATOM 13853 H HG . LEU A 1 65 ? -3.128 -0.308 -0.337 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 9 -ATOM 13854 H HD11 . LEU A 1 65 ? -3.371 2.690 -0.184 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 9 -ATOM 13855 H HD12 . LEU A 1 65 ? -4.634 1.556 -0.669 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 9 -ATOM 13856 H HD13 . LEU A 1 65 ? -3.187 1.731 -1.658 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 9 -ATOM 13857 H HD21 . LEU A 1 65 ? -1.055 0.883 -0.914 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 9 -ATOM 13858 H HD22 . LEU A 1 65 ? -0.911 0.037 0.629 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 9 -ATOM 13859 H HD23 . LEU A 1 65 ? -1.164 1.780 0.606 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 9 -ATOM 13860 N N . VAL A 1 66 ? -1.108 -1.826 2.207 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 9 -ATOM 13861 C CA . VAL A 1 66 ? 0.290 -2.116 2.481 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 9 -ATOM 13862 C C . VAL A 1 66 ? 1.115 -2.048 1.191 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 9 -ATOM 13863 O O . VAL A 1 66 ? 0.837 -2.762 0.200 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 9 -ATOM 13864 C CB . VAL A 1 66 ? 0.474 -3.513 3.162 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 9 -ATOM 13865 C CG1 . VAL A 1 66 ? 1.944 -3.797 3.457 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 9 -ATOM 13866 C CG2 . VAL A 1 66 ? -0.332 -3.599 4.450 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 9 -ATOM 13867 H H . VAL A 1 66 ? -1.563 -2.386 1.537 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 9 -ATOM 13868 H HA . VAL A 1 66 ? 0.648 -1.353 3.156 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 9 -ATOM 13869 H HB . VAL A 1 66 ? 0.114 -4.272 2.483 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 9 -ATOM 13870 H HG11 . VAL A 1 66 ? 2.035 -4.768 3.923 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 9 -ATOM 13871 H HG12 . VAL A 1 66 ? 2.315 -3.052 4.146 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 9 -ATOM 13872 H HG13 . VAL A 1 66 ? 2.518 -3.772 2.544 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 9 -ATOM 13873 H HG21 . VAL A 1 66 ? -0.013 -2.817 5.125 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 9 -ATOM 13874 H HG22 . VAL A 1 66 ? -0.161 -4.559 4.916 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 9 -ATOM 13875 H HG23 . VAL A 1 66 ? -1.384 -3.482 4.232 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 9 -ATOM 13876 N N . TYR A 1 67 ? 2.112 -1.205 1.206 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 9 -ATOM 13877 C CA . TYR A 1 67 ? 2.998 -1.014 0.080 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 9 -ATOM 13878 C C . TYR A 1 67 ? 4.425 -1.062 0.563 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 9 -ATOM 13879 O O . TYR A 1 67 ? 4.674 -0.856 1.743 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 9 -ATOM 13880 C CB . TYR A 1 67 ? 2.723 0.343 -0.620 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 9 -ATOM 13881 C CG . TYR A 1 67 ? 2.939 1.580 0.244 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 9 -ATOM 13882 C CD1 . TYR A 1 67 ? 4.202 2.143 0.393 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 9 -ATOM 13883 C CD2 . TYR A 1 67 ? 1.880 2.179 0.903 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 9 -ATOM 13884 C CE1 . TYR A 1 67 ? 4.398 3.254 1.175 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 9 -ATOM 13885 C CE2 . TYR A 1 67 ? 2.068 3.296 1.683 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 9 -ATOM 13886 C CZ . TYR A 1 67 ? 3.331 3.827 1.816 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 9 -ATOM 13887 O OH . TYR A 1 67 ? 3.529 4.922 2.609 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 9 -ATOM 13888 H H . TYR A 1 67 ? 2.279 -0.695 2.031 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 9 -ATOM 13889 H HA . TYR A 1 67 ? 2.847 -1.810 -0.635 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 9 -ATOM 13890 H HB2 . TYR A 1 67 ? 3.364 0.435 -1.484 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 9 -ATOM 13891 H HB3 . TYR A 1 67 ? 1.695 0.346 -0.950 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 9 -ATOM 13892 H HD1 . TYR A 1 67 ? 5.041 1.688 -0.114 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 9 -ATOM 13893 H HD2 . TYR A 1 67 ? 0.894 1.755 0.795 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 9 -ATOM 13894 H HE1 . TYR A 1 67 ? 5.384 3.681 1.278 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 9 -ATOM 13895 H HE2 . TYR A 1 67 ? 1.223 3.751 2.179 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 9 -ATOM 13896 H HH . TYR A 1 67 ? 3.064 4.781 3.436 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 9 -ATOM 13897 N N . GLN A 1 68 ? 5.341 -1.347 -0.311 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 9 -ATOM 13898 C CA . GLN A 1 68 ? 6.732 -1.288 0.038 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 9 -ATOM 13899 C C . GLN A 1 68 ? 7.394 -0.175 -0.723 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 9 -ATOM 13900 O O . GLN A 1 68 ? 7.090 0.059 -1.895 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 9 -ATOM 13901 C CB . GLN A 1 68 ? 7.478 -2.607 -0.185 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 9 -ATOM 13902 C CG . GLN A 1 68 ? 7.449 -3.134 -1.609 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 9 -ATOM 13903 C CD . GLN A 1 68 ? 8.432 -4.267 -1.837 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 9 -ATOM 13904 O OE1 . GLN A 1 68 ? 8.920 -4.457 -2.946 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 9 -ATOM 13905 N NE2 . GLN A 1 68 ? 8.779 -4.989 -0.791 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 9 -ATOM 13906 H H . GLN A 1 68 ? 5.076 -1.588 -1.228 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 9 -ATOM 13907 H HA . GLN A 1 68 ? 6.782 -1.026 1.084 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 9 -ATOM 13908 H HB2 . GLN A 1 68 ? 8.512 -2.469 0.094 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 9 -ATOM 13909 H HB3 . GLN A 1 68 ? 7.046 -3.358 0.460 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 9 -ATOM 13910 H HG2 . GLN A 1 68 ? 6.453 -3.488 -1.831 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 9 -ATOM 13911 H HG3 . GLN A 1 68 ? 7.695 -2.320 -2.277 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 9 -ATOM 13912 H HE21 . GLN A 1 68 ? 8.398 -4.769 0.086 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 9 -ATOM 13913 H HE22 . GLN A 1 68 ? 9.419 -5.716 -0.939 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 9 -ATOM 13914 N N . VAL A 1 69 ? 8.252 0.522 -0.067 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 9 -ATOM 13915 C CA . VAL A 1 69 ? 8.961 1.601 -0.683 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 9 -ATOM 13916 C C . VAL A 1 69 ? 10.217 1.070 -1.315 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 9 -ATOM 13917 O O . VAL A 1 69 ? 11.119 0.598 -0.619 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 9 -ATOM 13918 C CB . VAL A 1 69 ? 9.316 2.718 0.338 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 9 -ATOM 13919 C CG1 . VAL A 1 69 ? 10.189 3.794 -0.291 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 9 -ATOM 13920 C CG2 . VAL A 1 69 ? 8.059 3.343 0.885 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 9 -ATOM 13921 H H . VAL A 1 69 ? 8.430 0.281 0.871 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 9 -ATOM 13922 H HA . VAL A 1 69 ? 8.331 2.021 -1.453 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 9 -ATOM 13923 H HB . VAL A 1 69 ? 9.859 2.273 1.160 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 9 -ATOM 13924 H HG11 . VAL A 1 69 ? 11.103 3.343 -0.648 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 9 -ATOM 13925 H HG12 . VAL A 1 69 ? 10.422 4.540 0.455 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 9 -ATOM 13926 H HG13 . VAL A 1 69 ? 9.663 4.254 -1.114 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 9 -ATOM 13927 H HG21 . VAL A 1 69 ? 7.442 2.577 1.331 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 9 -ATOM 13928 H HG22 . VAL A 1 69 ? 7.514 3.844 0.100 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 9 -ATOM 13929 H HG23 . VAL A 1 69 ? 8.332 4.059 1.646 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 9 -ATOM 13930 N N . ILE A 1 70 ? 10.266 1.099 -2.618 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 9 -ATOM 13931 C CA . ILE A 1 70 ? 11.450 0.708 -3.302 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 9 -ATOM 13932 C C . ILE A 1 70 ? 12.175 1.985 -3.643 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 9 -ATOM 13933 O O . ILE A 1 70 ? 11.871 2.649 -4.644 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 9 -ATOM 13934 C CB . ILE A 1 70 ? 11.156 -0.068 -4.604 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 9 -ATOM 13935 C CG1 . ILE A 1 70 ? 10.102 -1.156 -4.360 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 9 -ATOM 13936 C CG2 . ILE A 1 70 ? 12.452 -0.701 -5.114 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 9 -ATOM 13937 C CD1 . ILE A 1 70 ? 9.650 -1.857 -5.622 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 9 -ATOM 13938 H H . ILE A 1 70 ? 9.497 1.400 -3.152 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 9 -ATOM 13939 H HA . ILE A 1 70 ? 12.054 0.109 -2.638 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 9 -ATOM 13940 H HB . ILE A 1 70 ? 10.793 0.626 -5.348 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 9 -ATOM 13941 H HG12 . ILE A 1 70 ? 10.506 -1.896 -3.687 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 9 -ATOM 13942 H HG13 . ILE A 1 70 ? 9.236 -0.704 -3.902 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 9 -ATOM 13943 H HG21 . ILE A 1 70 ? 13.176 0.073 -5.319 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 9 -ATOM 13944 H HG22 . ILE A 1 70 ? 12.249 -1.256 -6.018 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 9 -ATOM 13945 H HG23 . ILE A 1 70 ? 12.845 -1.371 -4.362 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 9 -ATOM 13946 H HD11 . ILE A 1 70 ? 9.229 -1.128 -6.299 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 9 -ATOM 13947 H HD12 . ILE A 1 70 ? 8.906 -2.600 -5.377 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 9 -ATOM 13948 H HD13 . ILE A 1 70 ? 10.499 -2.332 -6.091 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 9 -ATOM 13949 N N . ASP A 1 71 ? 13.100 2.349 -2.804 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 9 -ATOM 13950 C CA . ASP A 1 71 ? 13.823 3.603 -2.949 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 9 -ATOM 13951 C C . ASP A 1 71 ? 14.759 3.539 -4.132 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 9 -ATOM 13952 O O . ASP A 1 71 ? 14.968 4.540 -4.823 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 9 -ATOM 13953 C CB . ASP A 1 71 ? 14.576 3.945 -1.664 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 9 -ATOM 13954 C CG . ASP A 1 71 ? 15.338 5.253 -1.746 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 9 -ATOM 13955 O OD1 . ASP A 1 71 ? 16.496 5.250 -2.232 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 9 -ATOM 13956 O OD2 . ASP A 1 71 ? 14.807 6.297 -1.289 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 9 -ATOM 13957 H H . ASP A 1 71 ? 13.318 1.746 -2.061 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 9 -ATOM 13958 H HA . ASP A 1 71 ? 13.098 4.375 -3.148 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 9 -ATOM 13959 H HB2 . ASP A 1 71 ? 13.866 4.019 -0.854 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 9 -ATOM 13960 H HB3 . ASP A 1 71 ? 15.273 3.150 -1.448 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 9 -ATOM 13961 N N . GLU A 1 72 ? 15.267 2.342 -4.396 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 9 -ATOM 13962 C CA . GLU A 1 72 ? 16.145 2.098 -5.532 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 9 -ATOM 13963 C C . GLU A 1 72 ? 15.450 2.422 -6.847 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 9 -ATOM 13964 O O . GLU A 1 72 ? 16.064 2.917 -7.776 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 9 -ATOM 13965 C CB . GLU A 1 72 ? 16.594 0.645 -5.574 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 9 -ATOM 13966 C CG . GLU A 1 72 ? 17.432 0.195 -4.401 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 9 -ATOM 13967 C CD . GLU A 1 72 ? 17.949 -1.203 -4.604 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 9 -ATOM 13968 O OE1 . GLU A 1 72 ? 19.022 -1.356 -5.217 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 9 -ATOM 13969 O OE2 . GLU A 1 72 ? 17.283 -2.173 -4.181 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 9 -ATOM 13970 H H . GLU A 1 72 ? 15.061 1.608 -3.778 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 9 -ATOM 13971 H HA . GLU A 1 72 ? 17.018 2.724 -5.423 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 9 -ATOM 13972 H HB2 . GLU A 1 72 ? 15.716 0.018 -5.609 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 9 -ATOM 13973 H HB3 . GLU A 1 72 ? 17.161 0.492 -6.478 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 9 -ATOM 13974 H HG2 . GLU A 1 72 ? 18.272 0.866 -4.296 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 9 -ATOM 13975 H HG3 . GLU A 1 72 ? 16.831 0.221 -3.503 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 9 -ATOM 13976 N N . LYS A 1 73 ? 14.166 2.150 -6.912 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 9 -ATOM 13977 C CA . LYS A 1 73 ? 13.415 2.360 -8.134 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 9 -ATOM 13978 C C . LYS A 1 73 ? 12.537 3.605 -8.030 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 9 -ATOM 13979 O O . LYS A 1 73 ? 11.847 3.965 -8.975 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 9 -ATOM 13980 C CB . LYS A 1 73 ? 12.597 1.107 -8.466 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 9 -ATOM 13981 C CG . LYS A 1 73 ? 13.467 -0.131 -8.674 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 9 -ATOM 13982 C CD . LYS A 1 73 ? 12.646 -1.388 -8.911 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 9 -ATOM 13983 C CE . LYS A 1 73 ? 13.555 -2.605 -9.033 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 9 -ATOM 13984 N NZ . LYS A 1 73 ? 12.802 -3.862 -9.163 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 9 -ATOM 13985 H H . LYS A 1 73 ? 13.715 1.807 -6.114 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 9 -ATOM 13986 H HA . LYS A 1 73 ? 14.136 2.523 -8.921 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 9 -ATOM 13987 H HB2 . LYS A 1 73 ? 11.922 0.909 -7.647 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 9 -ATOM 13988 H HB3 . LYS A 1 73 ? 12.028 1.280 -9.367 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 9 -ATOM 13989 H HG2 . LYS A 1 73 ? 14.106 0.032 -9.528 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 9 -ATOM 13990 H HG3 . LYS A 1 73 ? 14.079 -0.270 -7.795 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 9 -ATOM 13991 H HD2 . LYS A 1 73 ? 11.960 -1.535 -8.092 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 9 -ATOM 13992 H HD3 . LYS A 1 73 ? 12.089 -1.274 -9.830 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 9 -ATOM 13993 H HE2 . LYS A 1 73 ? 14.178 -2.488 -9.906 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 9 -ATOM 13994 H HE3 . LYS A 1 73 ? 14.183 -2.655 -8.156 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 9 -ATOM 13995 H HZ1 . LYS A 1 73 ? 12.189 -4.016 -8.334 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 9 -ATOM 13996 H HZ2 . LYS A 1 73 ? 13.444 -4.677 -9.224 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 9 -ATOM 13997 H HZ3 . LYS A 1 73 ? 12.198 -3.860 -10.008 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 9 -ATOM 13998 N N . VAL A 1 74 ? 12.587 4.254 -6.856 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 9 -ATOM 13999 C CA . VAL A 1 74 ? 11.855 5.511 -6.561 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 9 -ATOM 14000 C C . VAL A 1 74 ? 10.319 5.296 -6.736 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 9 -ATOM 14001 O O . VAL A 1 74 ? 9.557 6.197 -7.078 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 9 -ATOM 14002 C CB . VAL A 1 74 ? 12.389 6.702 -7.459 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 9 -ATOM 14003 C CG1 . VAL A 1 74 ? 11.841 8.057 -7.005 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 9 -ATOM 14004 C CG2 . VAL A 1 74 ? 13.916 6.742 -7.457 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 9 -ATOM 14005 H H . VAL A 1 74 ? 13.147 3.877 -6.146 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 9 -ATOM 14006 H HA . VAL A 1 74 ? 12.037 5.738 -5.521 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 9 -ATOM 14007 H HB . VAL A 1 74 ? 12.059 6.529 -8.472 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 9 -ATOM 14008 H HG11 . VAL A 1 74 ? 10.765 8.052 -7.076 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 9 -ATOM 14009 H HG12 . VAL A 1 74 ? 12.240 8.835 -7.637 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 9 -ATOM 14010 H HG13 . VAL A 1 74 ? 12.135 8.242 -5.982 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 9 -ATOM 14011 H HG21 . VAL A 1 74 ? 14.303 5.811 -7.846 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 9 -ATOM 14012 H HG22 . VAL A 1 74 ? 14.268 6.881 -6.447 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 9 -ATOM 14013 H HG23 . VAL A 1 74 ? 14.256 7.562 -8.073 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 9 -ATOM 14014 N N . VAL A 1 75 ? 9.871 4.113 -6.425 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 9 -ATOM 14015 C CA . VAL A 1 75 ? 8.483 3.774 -6.594 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 9 -ATOM 14016 C C . VAL A 1 75 ? 8.011 2.958 -5.403 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 9 -ATOM 14017 O O . VAL A 1 75 ? 8.777 2.165 -4.842 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 9 -ATOM 14018 C CB . VAL A 1 75 ? 8.244 2.997 -7.944 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 9 -ATOM 14019 C CG1 . VAL A 1 75 ? 8.997 1.683 -7.997 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 9 -ATOM 14020 C CG2 . VAL A 1 75 ? 6.768 2.775 -8.226 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 9 -ATOM 14021 H H . VAL A 1 75 ? 10.477 3.447 -6.032 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 9 -ATOM 14022 H HA . VAL A 1 75 ? 7.919 4.696 -6.623 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 9 -ATOM 14023 H HB . VAL A 1 75 ? 8.649 3.603 -8.740 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 9 -ATOM 14024 H HG11 . VAL A 1 75 ? 8.791 1.207 -8.945 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 9 -ATOM 14025 H HG12 . VAL A 1 75 ? 8.670 1.048 -7.186 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 9 -ATOM 14026 H HG13 . VAL A 1 75 ? 10.055 1.880 -7.912 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 9 -ATOM 14027 H HG21 . VAL A 1 75 ? 6.262 3.728 -8.286 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 9 -ATOM 14028 H HG22 . VAL A 1 75 ? 6.334 2.188 -7.430 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 9 -ATOM 14029 H HG23 . VAL A 1 75 ? 6.656 2.248 -9.162 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 9 -ATOM 14030 N N . VAL A 1 76 ? 6.810 3.202 -4.959 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 9 -ATOM 14031 C CA . VAL A 1 76 ? 6.256 2.433 -3.933 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 9 -ATOM 14032 C C . VAL A 1 76 ? 5.356 1.384 -4.567 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 9 -ATOM 14033 O O . VAL A 1 76 ? 4.517 1.685 -5.434 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 9 -ATOM 14034 C CB . VAL A 1 76 ? 5.512 3.286 -2.867 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 9 -ATOM 14035 C CG1 . VAL A 1 76 ? 6.418 4.358 -2.293 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 9 -ATOM 14036 C CG2 . VAL A 1 76 ? 4.222 3.894 -3.376 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 9 -ATOM 14037 H H . VAL A 1 76 ? 6.237 3.908 -5.328 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 9 -ATOM 14038 H HA . VAL A 1 76 ? 7.080 1.914 -3.463 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 9 -ATOM 14039 H HB . VAL A 1 76 ? 5.280 2.595 -2.079 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 9 -ATOM 14040 H HG11 . VAL A 1 76 ? 6.702 5.049 -3.073 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 9 -ATOM 14041 H HG12 . VAL A 1 76 ? 7.309 3.891 -1.899 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 9 -ATOM 14042 H HG13 . VAL A 1 76 ? 5.903 4.887 -1.504 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 9 -ATOM 14043 H HG21 . VAL A 1 76 ? 3.556 3.086 -3.647 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 9 -ATOM 14044 H HG22 . VAL A 1 76 ? 4.424 4.507 -4.242 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 9 -ATOM 14045 H HG23 . VAL A 1 76 ? 3.767 4.487 -2.597 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 9 -ATOM 14046 N N . PHE A 1 77 ? 5.575 0.178 -4.199 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 9 -ATOM 14047 C CA . PHE A 1 77 ? 4.879 -0.931 -4.766 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 9 -ATOM 14048 C C . PHE A 1 77 ? 3.818 -1.403 -3.802 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 9 -ATOM 14049 O O . PHE A 1 77 ? 4.134 -1.921 -2.730 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 9 -ATOM 14050 C CB . PHE A 1 77 ? 5.905 -2.039 -5.069 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 9 -ATOM 14051 C CG . PHE A 1 77 ? 5.347 -3.327 -5.600 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 9 -ATOM 14052 C CD1 . PHE A 1 77 ? 4.891 -3.419 -6.899 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 9 -ATOM 14053 C CD2 . PHE A 1 77 ? 5.310 -4.455 -4.800 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 9 -ATOM 14054 C CE1 . PHE A 1 77 ? 4.406 -4.610 -7.389 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 9 -ATOM 14055 C CE2 . PHE A 1 77 ? 4.823 -5.648 -5.283 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 9 -ATOM 14056 C CZ . PHE A 1 77 ? 4.372 -5.725 -6.579 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 9 -ATOM 14057 H H . PHE A 1 77 ? 6.232 0.014 -3.485 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 9 -ATOM 14058 H HA . PHE A 1 77 ? 4.421 -0.619 -5.693 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 9 -ATOM 14059 H HB2 . PHE A 1 77 ? 6.605 -1.670 -5.803 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 9 -ATOM 14060 H HB3 . PHE A 1 77 ? 6.447 -2.256 -4.160 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 9 -ATOM 14061 H HD1 . PHE A 1 77 ? 4.916 -2.545 -7.532 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 9 -ATOM 14062 H HD2 . PHE A 1 77 ? 5.666 -4.392 -3.782 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 9 -ATOM 14063 H HE1 . PHE A 1 77 ? 4.051 -4.675 -8.406 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 9 -ATOM 14064 H HE2 . PHE A 1 77 ? 4.795 -6.520 -4.647 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 9 -ATOM 14065 H HZ . PHE A 1 77 ? 3.993 -6.661 -6.963 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 9 -ATOM 14066 N N . VAL A 1 78 ? 2.571 -1.181 -4.151 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 9 -ATOM 14067 C CA . VAL A 1 78 ? 1.473 -1.637 -3.338 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 9 -ATOM 14068 C C . VAL A 1 78 ? 1.344 -3.123 -3.548 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 9 -ATOM 14069 O O . VAL A 1 78 ? 1.138 -3.585 -4.679 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 9 -ATOM 14070 C CB . VAL A 1 78 ? 0.140 -0.923 -3.704 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 9 -ATOM 14071 C CG1 . VAL A 1 78 ? -1.005 -1.403 -2.812 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 9 -ATOM 14072 C CG2 . VAL A 1 78 ? 0.295 0.593 -3.603 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 9 -ATOM 14073 H H . VAL A 1 78 ? 2.392 -0.697 -4.990 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 9 -ATOM 14074 H HA . VAL A 1 78 ? 1.715 -1.446 -2.304 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 9 -ATOM 14075 H HB . VAL A 1 78 ? -0.109 -1.171 -4.725 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 9 -ATOM 14076 H HG11 . VAL A 1 78 ? -1.145 -2.466 -2.946 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 9 -ATOM 14077 H HG12 . VAL A 1 78 ? -1.918 -0.885 -3.072 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 9 -ATOM 14078 H HG13 . VAL A 1 78 ? -0.762 -1.204 -1.778 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 9 -ATOM 14079 H HG21 . VAL A 1 78 ? -0.636 1.065 -3.878 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 9 -ATOM 14080 H HG22 . VAL A 1 78 ? 1.078 0.922 -4.271 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 9 -ATOM 14081 H HG23 . VAL A 1 78 ? 0.551 0.866 -2.591 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 9 -ATOM 14082 N N . ILE A 1 79 ? 1.466 -3.865 -2.481 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 9 -ATOM 14083 C CA . ILE A 1 79 ? 1.483 -5.301 -2.578 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 9 -ATOM 14084 C C . ILE A 1 79 ? 0.089 -5.840 -2.344 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 9 -ATOM 14085 O O . ILE A 1 79 ? -0.369 -6.750 -3.033 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 9 -ATOM 14086 C CB . ILE A 1 79 ? 2.439 -5.926 -1.525 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 9 -ATOM 14087 C CG1 . ILE A 1 79 ? 3.802 -5.217 -1.536 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 9 -ATOM 14088 C CG2 . ILE A 1 79 ? 2.628 -7.412 -1.824 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 9 -ATOM 14089 C CD1 . ILE A 1 79 ? 4.750 -5.687 -0.450 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 9 -ATOM 14090 H H . ILE A 1 79 ? 1.542 -3.433 -1.602 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 9 -ATOM 14091 H HA . ILE A 1 79 ? 1.823 -5.578 -3.564 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 9 -ATOM 14092 H HB . ILE A 1 79 ? 1.992 -5.824 -0.548 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 9 -ATOM 14093 H HG12 . ILE A 1 79 ? 4.280 -5.402 -2.487 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 9 -ATOM 14094 H HG13 . ILE A 1 79 ? 3.652 -4.155 -1.415 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 9 -ATOM 14095 H HG21 . ILE A 1 79 ? 1.674 -7.916 -1.767 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 9 -ATOM 14096 H HG22 . ILE A 1 79 ? 3.311 -7.835 -1.103 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 9 -ATOM 14097 H HG23 . ILE A 1 79 ? 3.041 -7.529 -2.816 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 9 -ATOM 14098 H HD11 . ILE A 1 79 ? 5.683 -5.149 -0.520 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 9 -ATOM 14099 H HD12 . ILE A 1 79 ? 4.934 -6.746 -0.568 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 9 -ATOM 14100 H HD13 . ILE A 1 79 ? 4.303 -5.509 0.517 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 9 -ATOM 14101 N N . SER A 1 80 ? -0.588 -5.281 -1.369 1.00 0.00 ? ? ? ? ? ? 77 SER A N 9 -ATOM 14102 C CA . SER A 1 80 ? -1.917 -5.707 -1.016 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 9 -ATOM 14103 C C . SER A 1 80 ? -2.681 -4.557 -0.387 1.00 0.00 ? ? ? ? ? ? 77 SER A C 9 -ATOM 14104 O O . SER A 1 80 ? -2.079 -3.633 0.185 1.00 0.00 ? ? ? ? ? ? 77 SER A O 9 -ATOM 14105 C CB . SER A 1 80 ? -1.855 -6.922 -0.075 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 9 -ATOM 14106 O OG . SER A 1 80 ? -1.232 -8.030 -0.725 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 9 -ATOM 14107 H H . SER A 1 80 ? -0.204 -4.537 -0.853 1.00 0.00 ? ? ? ? ? ? 77 SER A H 9 -ATOM 14108 H HA . SER A 1 80 ? -2.417 -5.998 -1.928 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 9 -ATOM 14109 H HB2 . SER A 1 80 ? -1.282 -6.669 0.804 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 9 -ATOM 14110 H HB3 . SER A 1 80 ? -2.856 -7.208 0.212 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 9 -ATOM 14111 H HG . SER A 1 80 ? -0.822 -7.673 -1.527 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 9 -ATOM 14112 N N . VAL A 1 81 ? -3.977 -4.595 -0.509 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 9 -ATOM 14113 C CA . VAL A 1 81 ? -4.834 -3.555 -0.003 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 9 -ATOM 14114 C C . VAL A 1 81 ? -6.161 -4.182 0.398 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 9 -ATOM 14115 O O . VAL A 1 81 ? -6.544 -5.196 -0.153 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 9 -ATOM 14116 C CB . VAL A 1 81 ? -5.041 -2.427 -1.078 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 9 -ATOM 14117 C CG1 . VAL A 1 81 ? -5.664 -2.968 -2.352 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 9 -ATOM 14118 C CG2 . VAL A 1 81 ? -5.861 -1.272 -0.535 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 9 -ATOM 14119 H H . VAL A 1 81 ? -4.416 -5.365 -0.934 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 9 -ATOM 14120 H HA . VAL A 1 81 ? -4.363 -3.132 0.872 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 9 -ATOM 14121 H HB . VAL A 1 81 ? -4.061 -2.053 -1.340 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 9 -ATOM 14122 H HG11 . VAL A 1 81 ? -5.019 -3.724 -2.775 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 9 -ATOM 14123 H HG12 . VAL A 1 81 ? -5.791 -2.164 -3.063 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 9 -ATOM 14124 H HG13 . VAL A 1 81 ? -6.626 -3.403 -2.126 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 9 -ATOM 14125 H HG21 . VAL A 1 81 ? -5.358 -0.853 0.324 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 9 -ATOM 14126 H HG22 . VAL A 1 81 ? -6.840 -1.625 -0.248 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 9 -ATOM 14127 H HG23 . VAL A 1 81 ? -5.958 -0.515 -1.298 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 9 -ATOM 14128 N N . GLY A 1 82 ? -6.799 -3.650 1.391 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 9 -ATOM 14129 C CA . GLY A 1 82 ? -8.076 -4.157 1.772 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 9 -ATOM 14130 C C . GLY A 1 82 ? -8.238 -4.158 3.253 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 9 -ATOM 14131 O O . GLY A 1 82 ? -8.287 -3.100 3.883 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 9 -ATOM 14132 H H . GLY A 1 82 ? -6.394 -2.919 1.911 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 9 -ATOM 14133 H HA2 . GLY A 1 82 ? -8.842 -3.538 1.330 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 9 -ATOM 14134 H HA3 . GLY A 1 82 ? -8.179 -5.167 1.404 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 9 -ATOM 14135 N N . LYS A 1 83 ? -8.290 -5.313 3.833 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 9 -ATOM 14136 C CA . LYS A 1 83 ? -8.476 -5.406 5.245 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 9 -ATOM 14137 C C . LYS A 1 83 ? -7.382 -6.209 5.888 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 9 -ATOM 14138 O O . LYS A 1 83 ? -6.886 -7.186 5.320 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 9 -ATOM 14139 C CB . LYS A 1 83 ? -9.837 -6.008 5.587 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 9 -ATOM 14140 C CG . LYS A 1 83 ? -11.024 -5.182 5.110 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 9 -ATOM 14141 C CD . LYS A 1 83 ? -12.343 -5.837 5.477 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 9 -ATOM 14142 C CE . LYS A 1 83 ? -12.531 -5.930 6.986 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 9 -ATOM 14143 N NZ . LYS A 1 83 ? -13.783 -6.622 7.355 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 9 -ATOM 14144 H H . LYS A 1 83 ? -8.184 -6.135 3.308 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 9 -ATOM 14145 H HA . LYS A 1 83 ? -8.446 -4.403 5.641 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 9 -ATOM 14146 H HB2 . LYS A 1 83 ? -9.906 -6.990 5.142 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 9 -ATOM 14147 H HB3 . LYS A 1 83 ? -9.894 -6.104 6.661 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 9 -ATOM 14148 H HG2 . LYS A 1 83 ? -10.981 -4.205 5.569 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 9 -ATOM 14149 H HG3 . LYS A 1 83 ? -10.966 -5.077 4.037 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 9 -ATOM 14150 H HD2 . LYS A 1 83 ? -13.145 -5.243 5.062 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 9 -ATOM 14151 H HD3 . LYS A 1 83 ? -12.369 -6.830 5.053 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 9 -ATOM 14152 H HE2 . LYS A 1 83 ? -11.704 -6.468 7.423 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 9 -ATOM 14153 H HE3 . LYS A 1 83 ? -12.558 -4.924 7.378 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 9 -ATOM 14154 H HZ1 . LYS A 1 83 ? -14.610 -6.152 6.939 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 9 -ATOM 14155 H HZ2 . LYS A 1 83 ? -13.895 -6.631 8.391 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 9 -ATOM 14156 H HZ3 . LYS A 1 83 ? -13.756 -7.610 7.034 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 9 -ATOM 14157 N N . ALA A 1 84 ? -7.002 -5.777 7.047 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 9 -ATOM 14158 C CA . ALA A 1 84 ? -6.046 -6.448 7.859 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 9 -ATOM 14159 C C . ALA A 1 84 ? -6.705 -6.657 9.182 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 9 -ATOM 14160 O O . ALA A 1 84 ? -7.090 -5.686 9.840 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 9 -ATOM 14161 C CB . ALA A 1 84 ? -4.791 -5.604 8.018 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 9 -ATOM 14162 H H . ALA A 1 84 ? -7.400 -4.966 7.422 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 9 -ATOM 14163 H HA . ALA A 1 84 ? -5.798 -7.397 7.409 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 9 -ATOM 14164 H HB1 . ALA A 1 84 ? -5.057 -4.645 8.438 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 9 -ATOM 14165 H HB2 . ALA A 1 84 ? -4.329 -5.458 7.054 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 9 -ATOM 14166 H HB3 . ALA A 1 84 ? -4.098 -6.105 8.678 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 9 -ATOM 14167 N N . GLU A 1 85 ? -6.902 -7.881 9.537 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 9 -ATOM 14168 C CA . GLU A 1 85 ? -7.567 -8.207 10.757 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 9 -ATOM 14169 C C . GLU A 1 85 ? -6.710 -9.157 11.589 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 9 -ATOM 14170 O O . GLU A 1 85 ? -6.690 -9.067 12.817 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 9 -ATOM 14171 C CB . GLU A 1 85 ? -8.946 -8.793 10.447 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 9 -ATOM 14172 C CG . GLU A 1 85 ? -9.819 -9.040 11.658 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 9 -ATOM 14173 C CD . GLU A 1 85 ? -11.213 -9.442 11.275 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 9 -ATOM 14174 O OE1 . GLU A 1 85 ? -12.057 -8.553 11.059 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 9 -ATOM 14175 O OE2 . GLU A 1 85 ? -11.493 -10.657 11.179 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 9 -ATOM 14176 H H . GLU A 1 85 ? -6.600 -8.616 8.949 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 9 -ATOM 14177 H HA . GLU A 1 85 ? -7.696 -7.292 11.313 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 9 -ATOM 14178 H HB2 . GLU A 1 85 ? -9.472 -8.113 9.794 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 9 -ATOM 14179 H HB3 . GLU A 1 85 ? -8.810 -9.731 9.929 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 9 -ATOM 14180 H HG2 . GLU A 1 85 ? -9.379 -9.830 12.249 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 9 -ATOM 14181 H HG3 . GLU A 1 85 ? -9.865 -8.136 12.247 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 9 -ATOM 14182 N N . ALA A 1 86 ? -5.990 -10.044 10.933 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 9 -ATOM 14183 C CA . ALA A 1 86 ? -5.106 -10.955 11.637 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 9 -ATOM 14184 C C . ALA A 1 86 ? -3.690 -10.912 11.068 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 9 -ATOM 14185 O O . ALA A 1 86 ? -2.775 -10.412 11.727 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 9 -ATOM 14186 C CB . ALA A 1 86 ? -5.655 -12.376 11.658 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 9 -ATOM 14187 H H . ALA A 1 86 ? -6.062 -10.094 9.950 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 9 -ATOM 14188 H HA . ALA A 1 86 ? -5.051 -10.598 12.656 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 9 -ATOM 14189 H HB1 . ALA A 1 86 ? -5.671 -12.768 10.652 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 9 -ATOM 14190 H HB2 . ALA A 1 86 ? -6.658 -12.365 12.057 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 9 -ATOM 14191 H HB3 . ALA A 1 86 ? -5.028 -12.999 12.278 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 9 -ATOM 14192 N N . SER A 1 87 ? -3.499 -11.408 9.856 1.00 0.00 ? ? ? ? ? ? 84 SER A N 9 -ATOM 14193 C CA . SER A 1 87 ? -2.162 -11.420 9.263 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 9 -ATOM 14194 C C . SER A 1 87 ? -2.259 -11.561 7.728 1.00 0.00 ? ? ? ? ? ? 84 SER A C 9 -ATOM 14195 O O . SER A 1 87 ? -1.298 -11.960 7.043 1.00 0.00 ? ? ? ? ? ? 84 SER A O 9 -ATOM 14196 C CB . SER A 1 87 ? -1.333 -12.575 9.883 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 9 -ATOM 14197 O OG . SER A 1 87 ? 0.051 -12.477 9.560 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 9 -ATOM 14198 H H . SER A 1 87 ? -4.272 -11.778 9.367 1.00 0.00 ? ? ? ? ? ? 84 SER A H 9 -ATOM 14199 H HA . SER A 1 87 ? -1.702 -10.478 9.520 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 9 -ATOM 14200 H HB2 . SER A 1 87 ? -1.434 -12.537 10.957 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 9 -ATOM 14201 H HB3 . SER A 1 87 ? -1.713 -13.519 9.521 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 9 -ATOM 14202 H HG . SER A 1 87 ? 0.536 -12.375 10.387 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 9 -ATOM 14203 N N . GLU A 1 88 ? -3.396 -11.153 7.194 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 9 -ATOM 14204 C CA . GLU A 1 88 ? -3.727 -11.295 5.777 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 9 -ATOM 14205 C C . GLU A 1 88 ? -2.739 -10.528 4.924 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 9 -ATOM 14206 O O . GLU A 1 88 ? -2.091 -11.084 4.041 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 9 -ATOM 14207 C CB . GLU A 1 88 ? -5.148 -10.749 5.487 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 9 -ATOM 14208 C CG . GLU A 1 88 ? -6.303 -11.372 6.284 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 9 -ATOM 14209 C CD . GLU A 1 88 ? -6.174 -11.137 7.763 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 9 -ATOM 14210 O OE1 . GLU A 1 88 ? -6.123 -9.989 8.190 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 9 -ATOM 14211 O OE2 . GLU A 1 88 ? -5.978 -12.100 8.511 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 9 -ATOM 14212 H H . GLU A 1 88 ? -4.082 -10.733 7.758 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 9 -ATOM 14213 H HA . GLU A 1 88 ? -3.701 -12.343 5.519 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 9 -ATOM 14214 H HB2 . GLU A 1 88 ? -5.152 -9.688 5.691 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 9 -ATOM 14215 H HB3 . GLU A 1 88 ? -5.344 -10.894 4.437 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 9 -ATOM 14216 H HG2 . GLU A 1 88 ? -7.231 -10.936 5.948 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 9 -ATOM 14217 H HG3 . GLU A 1 88 ? -6.321 -12.436 6.099 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 9 -ATOM 14218 N N . VAL A 1 89 ? -2.559 -9.267 5.265 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 9 -ATOM 14219 C CA . VAL A 1 89 ? -1.705 -8.375 4.497 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 9 -ATOM 14220 C C . VAL A 1 89 ? -0.219 -8.661 4.705 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 9 -ATOM 14221 O O . VAL A 1 89 ? 0.611 -8.083 4.051 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 9 -ATOM 14222 C CB . VAL A 1 89 ? -2.003 -6.882 4.794 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 9 -ATOM 14223 C CG1 . VAL A 1 89 ? -3.440 -6.536 4.425 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 9 -ATOM 14224 C CG2 . VAL A 1 89 ? -1.720 -6.544 6.258 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 9 -ATOM 14225 H H . VAL A 1 89 ? -3.033 -8.921 6.048 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 9 -ATOM 14226 H HA . VAL A 1 89 ? -1.929 -8.556 3.456 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 9 -ATOM 14227 H HB . VAL A 1 89 ? -1.359 -6.282 4.169 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 9 -ATOM 14228 H HG11 . VAL A 1 89 ? -4.116 -7.150 5.000 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 9 -ATOM 14229 H HG12 . VAL A 1 89 ? -3.595 -6.715 3.372 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 9 -ATOM 14230 H HG13 . VAL A 1 89 ? -3.627 -5.494 4.642 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 9 -ATOM 14231 H HG21 . VAL A 1 89 ? -1.931 -5.500 6.434 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 9 -ATOM 14232 H HG22 . VAL A 1 89 ? -0.683 -6.748 6.480 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 9 -ATOM 14233 H HG23 . VAL A 1 89 ? -2.348 -7.151 6.892 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 9 -ATOM 14234 N N . TYR A 1 90 ? 0.102 -9.527 5.641 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 9 -ATOM 14235 C CA . TYR A 1 90 ? 1.482 -9.902 5.862 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 9 -ATOM 14236 C C . TYR A 1 90 ? 1.817 -11.132 5.048 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 9 -ATOM 14237 O O . TYR A 1 90 ? 2.773 -11.135 4.273 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 9 -ATOM 14238 C CB . TYR A 1 90 ? 1.769 -10.157 7.339 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 9 -ATOM 14239 C CG . TYR A 1 90 ? 1.618 -8.946 8.226 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 9 -ATOM 14240 C CD1 . TYR A 1 90 ? 2.681 -8.077 8.430 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 9 -ATOM 14241 C CD2 . TYR A 1 90 ? 0.427 -8.685 8.874 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 9 -ATOM 14242 C CE1 . TYR A 1 90 ? 2.552 -6.979 9.253 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 9 -ATOM 14243 C CE2 . TYR A 1 90 ? 0.288 -7.597 9.704 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 9 -ATOM 14244 C CZ . TYR A 1 90 ? 1.351 -6.746 9.891 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 9 -ATOM 14245 O OH . TYR A 1 90 ? 1.215 -5.662 10.733 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 9 -ATOM 14246 H H . TYR A 1 90 ? -0.613 -9.936 6.169 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 9 -ATOM 14247 H HA . TYR A 1 90 ? 2.098 -9.085 5.517 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 9 -ATOM 14248 H HB2 . TYR A 1 90 ? 1.087 -10.912 7.702 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 9 -ATOM 14249 H HB3 . TYR A 1 90 ? 2.779 -10.521 7.441 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 9 -ATOM 14250 H HD1 . TYR A 1 90 ? 3.617 -8.262 7.926 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 9 -ATOM 14251 H HD2 . TYR A 1 90 ? -0.404 -9.353 8.715 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 9 -ATOM 14252 H HE1 . TYR A 1 90 ? 3.388 -6.310 9.390 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 9 -ATOM 14253 H HE2 . TYR A 1 90 ? -0.654 -7.413 10.199 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 9 -ATOM 14254 H HH . TYR A 1 90 ? 0.768 -5.981 11.531 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 9 -ATOM 14255 N N . SER A 1 91 ? 0.991 -12.154 5.202 1.00 0.00 ? ? ? ? ? ? 88 SER A N 9 -ATOM 14256 C CA . SER A 1 91 ? 1.192 -13.439 4.559 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 9 -ATOM 14257 C C . SER A 1 91 ? 1.173 -13.312 3.035 1.00 0.00 ? ? ? ? ? ? 88 SER A C 9 -ATOM 14258 O O . SER A 1 91 ? 2.106 -13.756 2.350 1.00 0.00 ? ? ? ? ? ? 88 SER A O 9 -ATOM 14259 C CB . SER A 1 91 ? 0.101 -14.401 5.022 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 9 -ATOM 14260 O OG . SER A 1 91 ? 0.016 -14.424 6.448 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 9 -ATOM 14261 H H . SER A 1 91 ? 0.207 -12.049 5.783 1.00 0.00 ? ? ? ? ? ? 88 SER A H 9 -ATOM 14262 H HA . SER A 1 91 ? 2.149 -13.838 4.858 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 9 -ATOM 14263 H HB2 . SER A 1 91 ? -0.850 -14.085 4.619 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 9 -ATOM 14264 H HB3 . SER A 1 91 ? 0.330 -15.396 4.671 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 9 -ATOM 14265 H HG . SER A 1 91 ? -0.674 -13.802 6.715 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 9 -ATOM 14266 N N . GLU A 1 92 ? 0.152 -12.652 2.522 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 9 -ATOM 14267 C CA . GLU A 1 92 ? -0.018 -12.510 1.092 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 9 -ATOM 14268 C C . GLU A 1 92 ? 1.060 -11.602 0.507 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 9 -ATOM 14269 O O . GLU A 1 92 ? 1.489 -11.781 -0.631 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 9 -ATOM 14270 C CB . GLU A 1 92 ? -1.415 -11.968 0.783 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 9 -ATOM 14271 C CG . GLU A 1 92 ? -2.548 -12.811 1.373 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 9 -ATOM 14272 C CD . GLU A 1 92 ? -2.581 -14.232 0.855 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 9 -ATOM 14273 O OE1 . GLU A 1 92 ? -1.834 -15.077 1.345 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 9 -ATOM 14274 O OE2 . GLU A 1 92 ? -3.387 -14.522 -0.061 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 9 -ATOM 14275 H H . GLU A 1 92 ? -0.523 -12.247 3.108 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 9 -ATOM 14276 H HA . GLU A 1 92 ? 0.081 -13.490 0.650 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 9 -ATOM 14277 H HB2 . GLU A 1 92 ? -1.491 -10.968 1.183 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 9 -ATOM 14278 H HB3 . GLU A 1 92 ? -1.546 -11.926 -0.289 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 9 -ATOM 14279 H HG2 . GLU A 1 92 ? -2.430 -12.847 2.446 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 9 -ATOM 14280 H HG3 . GLU A 1 92 ? -3.489 -12.334 1.140 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 9 -ATOM 14281 N N . ALA A 1 93 ? 1.532 -10.665 1.316 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 9 -ATOM 14282 C CA . ALA A 1 93 ? 2.542 -9.724 0.886 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 9 -ATOM 14283 C C . ALA A 1 93 ? 3.897 -10.385 0.776 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 9 -ATOM 14284 O O . ALA A 1 93 ? 4.541 -10.297 -0.264 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 9 -ATOM 14285 C CB . ALA A 1 93 ? 2.615 -8.524 1.805 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 9 -ATOM 14286 H H . ALA A 1 93 ? 1.185 -10.623 2.231 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 9 -ATOM 14287 H HA . ALA A 1 93 ? 2.250 -9.380 -0.096 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 9 -ATOM 14288 H HB1 . ALA A 1 93 ? 1.644 -8.059 1.874 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 9 -ATOM 14289 H HB2 . ALA A 1 93 ? 3.330 -7.817 1.413 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 9 -ATOM 14290 H HB3 . ALA A 1 93 ? 2.932 -8.846 2.786 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 9 -ATOM 14291 N N . VAL A 1 94 ? 4.318 -11.086 1.831 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 9 -ATOM 14292 C CA . VAL A 1 94 ? 5.633 -11.726 1.843 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 9 -ATOM 14293 C C . VAL A 1 94 ? 5.732 -12.786 0.739 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 9 -ATOM 14294 O O . VAL A 1 94 ? 6.770 -12.926 0.081 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 9 -ATOM 14295 C CB . VAL A 1 94 ? 6.020 -12.318 3.251 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 9 -ATOM 14296 C CG1 . VAL A 1 94 ? 5.093 -13.445 3.692 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 9 -ATOM 14297 C CG2 . VAL A 1 94 ? 7.478 -12.768 3.284 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 9 -ATOM 14298 H H . VAL A 1 94 ? 3.728 -11.169 2.615 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 9 -ATOM 14299 H HA . VAL A 1 94 ? 6.338 -10.949 1.588 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 9 -ATOM 14300 H HB . VAL A 1 94 ? 5.901 -11.523 3.972 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 9 -ATOM 14301 H HG11 . VAL A 1 94 ? 4.081 -13.072 3.752 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 9 -ATOM 14302 H HG12 . VAL A 1 94 ? 5.402 -13.809 4.660 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 9 -ATOM 14303 H HG13 . VAL A 1 94 ? 5.136 -14.252 2.975 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 9 -ATOM 14304 H HG21 . VAL A 1 94 ? 7.712 -13.164 4.261 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 9 -ATOM 14305 H HG22 . VAL A 1 94 ? 8.121 -11.927 3.074 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 9 -ATOM 14306 H HG23 . VAL A 1 94 ? 7.633 -13.534 2.540 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 9 -ATOM 14307 N N . LYS A 1 95 ? 4.622 -13.459 0.480 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 9 -ATOM 14308 C CA . LYS A 1 95 ? 4.570 -14.468 -0.553 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 9 -ATOM 14309 C C . LYS A 1 95 ? 4.535 -13.838 -1.941 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 9 -ATOM 14310 O O . LYS A 1 95 ? 4.825 -14.496 -2.933 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 9 -ATOM 14311 C CB . LYS A 1 95 ? 3.366 -15.401 -0.364 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 9 -ATOM 14312 C CG . LYS A 1 95 ? 3.434 -16.304 0.863 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 9 -ATOM 14313 C CD . LYS A 1 95 ? 4.643 -17.227 0.812 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 9 -ATOM 14314 C CE . LYS A 1 95 ? 4.675 -18.181 1.997 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 9 -ATOM 14315 N NZ . LYS A 1 95 ? 3.525 -19.112 2.015 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 9 -ATOM 14316 H H . LYS A 1 95 ? 3.814 -13.273 1.008 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 9 -ATOM 14317 H HA . LYS A 1 95 ? 5.473 -15.054 -0.477 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 9 -ATOM 14318 H HB2 . LYS A 1 95 ? 2.480 -14.791 -0.260 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 9 -ATOM 14319 H HB3 . LYS A 1 95 ? 3.264 -16.023 -1.241 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 9 -ATOM 14320 H HG2 . LYS A 1 95 ? 3.496 -15.690 1.750 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 9 -ATOM 14321 H HG3 . LYS A 1 95 ? 2.536 -16.903 0.904 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 9 -ATOM 14322 H HD2 . LYS A 1 95 ? 4.612 -17.803 -0.100 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 9 -ATOM 14323 H HD3 . LYS A 1 95 ? 5.541 -16.627 0.826 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 9 -ATOM 14324 H HE2 . LYS A 1 95 ? 5.590 -18.755 1.964 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 9 -ATOM 14325 H HE3 . LYS A 1 95 ? 4.661 -17.594 2.903 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 9 -ATOM 14326 H HZ1 . LYS A 1 95 ? 3.476 -19.673 1.141 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 9 -ATOM 14327 H HZ2 . LYS A 1 95 ? 2.625 -18.607 2.125 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 9 -ATOM 14328 H HZ3 . LYS A 1 95 ? 3.619 -19.775 2.811 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 9 -ATOM 14329 N N . ARG A 1 96 ? 4.212 -12.570 -2.015 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 9 -ATOM 14330 C CA . ARG A 1 96 ? 4.116 -11.911 -3.296 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 9 -ATOM 14331 C C . ARG A 1 96 ? 5.443 -11.259 -3.682 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 9 -ATOM 14332 O O . ARG A 1 96 ? 5.699 -10.974 -4.856 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 9 -ATOM 14333 C CB . ARG A 1 96 ? 2.961 -10.903 -3.303 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 9 -ATOM 14334 C CG . ARG A 1 96 ? 2.640 -10.313 -4.665 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 9 -ATOM 14335 C CD . ARG A 1 96 ? 2.272 -11.403 -5.663 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 9 -ATOM 14336 N NE . ARG A 1 96 ? 1.914 -10.844 -6.950 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 9 -ATOM 14337 C CZ . ARG A 1 96 ? 1.670 -11.516 -8.061 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 9 -ATOM 14338 N NH1 . ARG A 1 96 ? 1.648 -12.839 -8.066 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 9 -ATOM 14339 N NH2 . ARG A 1 96 ? 1.436 -10.843 -9.171 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 9 -ATOM 14340 H H . ARG A 1 96 ? 4.024 -12.063 -1.195 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 9 -ATOM 14341 H HA . ARG A 1 96 ? 3.913 -12.681 -4.018 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 9 -ATOM 14342 H HB2 . ARG A 1 96 ? 2.074 -11.398 -2.934 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 9 -ATOM 14343 H HB3 . ARG A 1 96 ? 3.209 -10.094 -2.632 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 9 -ATOM 14344 H HG2 . ARG A 1 96 ? 1.810 -9.629 -4.571 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 9 -ATOM 14345 H HG3 . ARG A 1 96 ? 3.506 -9.783 -5.030 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 9 -ATOM 14346 H HD2 . ARG A 1 96 ? 3.125 -12.052 -5.802 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 9 -ATOM 14347 H HD3 . ARG A 1 96 ? 1.442 -11.975 -5.278 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 9 -ATOM 14348 H HE . ARG A 1 96 ? 1.875 -9.853 -6.995 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 9 -ATOM 14349 H HH11 . ARG A 1 96 ? 1.815 -13.386 -7.244 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 9 -ATOM 14350 H HH12 . ARG A 1 96 ? 1.466 -13.353 -8.909 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 9 -ATOM 14351 H HH21 . ARG A 1 96 ? 1.446 -9.838 -9.132 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 9 -ATOM 14352 H HH22 . ARG A 1 96 ? 1.280 -11.286 -10.058 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 9 -ATOM 14353 N N . ILE A 1 97 ? 6.285 -11.052 -2.708 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 9 -ATOM 14354 C CA . ILE A 1 97 ? 7.577 -10.434 -2.937 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 9 -ATOM 14355 C C . ILE A 1 97 ? 8.540 -11.432 -3.579 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 9 -ATOM 14356 O O . ILE A 1 97 ? 9.200 -11.124 -4.584 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 9 -ATOM 14357 C CB . ILE A 1 97 ? 8.152 -9.887 -1.612 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 9 -ATOM 14358 C CG1 . ILE A 1 97 ? 7.183 -8.849 -1.048 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 9 -ATOM 14359 C CG2 . ILE A 1 97 ? 9.539 -9.270 -1.826 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 9 -ATOM 14360 C CD1 . ILE A 1 97 ? 7.479 -8.433 0.360 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 9 -ATOM 14361 H H . ILE A 1 97 ? 6.026 -11.321 -1.802 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 9 -ATOM 14362 H HA . ILE A 1 97 ? 7.429 -9.609 -3.617 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 9 -ATOM 14363 H HB . ILE A 1 97 ? 8.233 -10.701 -0.907 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 9 -ATOM 14364 H HG12 . ILE A 1 97 ? 7.220 -7.963 -1.665 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 9 -ATOM 14365 H HG13 . ILE A 1 97 ? 6.183 -9.255 -1.075 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 9 -ATOM 14366 H HG21 . ILE A 1 97 ? 10.210 -10.026 -2.207 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 9 -ATOM 14367 H HG22 . ILE A 1 97 ? 9.915 -8.892 -0.887 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 9 -ATOM 14368 H HG23 . ILE A 1 97 ? 9.465 -8.461 -2.537 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 9 -ATOM 14369 H HD11 . ILE A 1 97 ? 7.423 -9.315 0.981 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 9 -ATOM 14370 H HD12 . ILE A 1 97 ? 6.729 -7.722 0.674 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 9 -ATOM 14371 H HD13 . ILE A 1 97 ? 8.467 -8.004 0.413 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 9 -ATOM 14372 N N . LEU A 1 98 ? 8.582 -12.625 -3.043 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 9 -ATOM 14373 C CA . LEU A 1 98 ? 9.472 -13.641 -3.544 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 9 -ATOM 14374 C C . LEU A 1 98 ? 8.615 -14.678 -4.269 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 9 -ATOM 14375 O O . LEU A 1 98 ? 8.065 -15.563 -3.614 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 9 -ATOM 14376 C CB . LEU A 1 98 ? 10.259 -14.268 -2.354 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 9 -ATOM 14377 C CG . LEU A 1 98 ? 11.598 -15.007 -2.653 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 9 -ATOM 14378 C CD1 . LEU A 1 98 ? 11.422 -16.236 -3.533 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 9 -ATOM 14379 C CD2 . LEU A 1 98 ? 12.614 -14.052 -3.266 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 9 -ATOM 14380 O OXT . LEU A 1 98 ? 8.441 -14.581 -5.498 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 9 -ATOM 14381 H H . LEU A 1 98 ? 7.986 -12.857 -2.301 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 9 -ATOM 14382 H HA . LEU A 1 98 ? 10.158 -13.186 -4.241 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 9 -ATOM 14383 H HB2 . LEU A 1 98 ? 10.477 -13.475 -1.654 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 9 -ATOM 14384 H HB3 . LEU A 1 98 ? 9.598 -14.967 -1.862 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 9 -ATOM 14385 H HG . LEU A 1 98 ? 12.006 -15.354 -1.715 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 9 -ATOM 14386 H HD11 . LEU A 1 98 ? 12.389 -16.675 -3.732 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 9 -ATOM 14387 H HD12 . LEU A 1 98 ? 10.950 -15.950 -4.461 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 9 -ATOM 14388 H HD13 . LEU A 1 98 ? 10.804 -16.954 -3.016 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 9 -ATOM 14389 H HD21 . LEU A 1 98 ? 12.230 -13.667 -4.197 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 9 -ATOM 14390 H HD22 . LEU A 1 98 ? 13.540 -14.578 -3.445 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 9 -ATOM 14391 H HD23 . LEU A 1 98 ? 12.796 -13.234 -2.585 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 9 -ATOM 14392 N N . MET A 1 4 ? 10.111 16.435 -4.382 1.00 0.00 ? ? ? ? ? ? 1 MET A N 10 -ATOM 14393 C CA . MET A 1 4 ? 10.441 15.028 -4.427 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 10 -ATOM 14394 C C . MET A 1 4 ? 9.175 14.236 -4.309 1.00 0.00 ? ? ? ? ? ? 1 MET A C 10 -ATOM 14395 O O . MET A 1 4 ? 8.344 14.505 -3.438 1.00 0.00 ? ? ? ? ? ? 1 MET A O 10 -ATOM 14396 C CB . MET A 1 4 ? 11.359 14.646 -3.274 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 10 -ATOM 14397 C CG . MET A 1 4 ? 11.947 13.242 -3.370 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 10 -ATOM 14398 S SD . MET A 1 4 ? 12.927 12.797 -1.912 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 10 -ATOM 14399 C CE . MET A 1 4 ? 13.585 11.200 -2.413 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 10 -ATOM 14400 H H . MET A 1 4 ? 10.962 17.024 -4.451 1.00 0.00 ? ? ? ? ? ? 1 MET A H 10 -ATOM 14401 H HA . MET A 1 4 ? 10.929 14.813 -5.365 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 10 -ATOM 14402 H HB2 . MET A 1 4 ? 12.167 15.355 -3.215 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 10 -ATOM 14403 H HB3 . MET A 1 4 ? 10.762 14.694 -2.378 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 10 -ATOM 14404 H HG2 . MET A 1 4 ? 11.141 12.533 -3.478 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 10 -ATOM 14405 H HG3 . MET A 1 4 ? 12.583 13.199 -4.242 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 10 -ATOM 14406 H HE1 . MET A 1 4 ? 14.180 10.789 -1.611 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 10 -ATOM 14407 H HE2 . MET A 1 4 ? 14.208 11.327 -3.286 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 10 -ATOM 14408 H HE3 . MET A 1 4 ? 12.773 10.526 -2.644 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 10 -ATOM 14409 N N . ALA A 1 5 ? 9.026 13.279 -5.158 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 10 -ATOM 14410 C CA . ALA A 1 5 ? 7.877 12.414 -5.148 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 10 -ATOM 14411 C C . ALA A 1 5 ? 8.265 11.075 -5.685 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 10 -ATOM 14412 O O . ALA A 1 5 ? 8.996 10.990 -6.674 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 10 -ATOM 14413 C CB . ALA A 1 5 ? 6.729 12.994 -5.966 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 10 -ATOM 14414 H H . ALA A 1 5 ? 9.735 13.138 -5.825 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 10 -ATOM 14415 H HA . ALA A 1 5 ? 7.551 12.302 -4.124 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 10 -ATOM 14416 H HB1 . ALA A 1 5 ? 6.477 13.975 -5.592 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 10 -ATOM 14417 H HB2 . ALA A 1 5 ? 5.869 12.345 -5.881 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 10 -ATOM 14418 H HB3 . ALA A 1 5 ? 7.019 13.064 -7.004 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 10 -ATOM 14419 N N . TYR A 1 6 ? 7.821 10.050 -5.031 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 10 -ATOM 14420 C CA . TYR A 1 6 ? 8.086 8.701 -5.463 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 10 -ATOM 14421 C C . TYR A 1 6 ? 7.019 8.265 -6.448 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 10 -ATOM 14422 O O . TYR A 1 6 ? 5.963 8.920 -6.578 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 10 -ATOM 14423 C CB . TYR A 1 6 ? 8.111 7.736 -4.263 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 10 -ATOM 14424 C CG . TYR A 1 6 ? 9.300 7.877 -3.320 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 10 -ATOM 14425 C CD1 . TYR A 1 6 ? 9.595 9.083 -2.690 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 10 -ATOM 14426 C CD2 . TYR A 1 6 ? 10.111 6.783 -3.039 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 10 -ATOM 14427 C CE1 . TYR A 1 6 ? 10.657 9.194 -1.819 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 10 -ATOM 14428 C CE2 . TYR A 1 6 ? 11.179 6.888 -2.169 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 10 -ATOM 14429 C CZ . TYR A 1 6 ? 11.448 8.096 -1.563 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 10 -ATOM 14430 O OH . TYR A 1 6 ? 12.501 8.203 -0.681 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 10 -ATOM 14431 H H . TYR A 1 6 ? 7.280 10.194 -4.226 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 10 -ATOM 14432 H HA . TYR A 1 6 ? 9.051 8.683 -5.948 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 10 -ATOM 14433 H HB2 . TYR A 1 6 ? 7.218 7.882 -3.676 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 10 -ATOM 14434 H HB3 . TYR A 1 6 ? 8.109 6.725 -4.644 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 10 -ATOM 14435 H HD1 . TYR A 1 6 ? 8.975 9.943 -2.897 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 10 -ATOM 14436 H HD2 . TYR A 1 6 ? 9.898 5.837 -3.516 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 10 -ATOM 14437 H HE1 . TYR A 1 6 ? 10.867 10.140 -1.340 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 10 -ATOM 14438 H HE2 . TYR A 1 6 ? 11.800 6.028 -1.966 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 10 -ATOM 14439 H HH . TYR A 1 6 ? 13.236 7.654 -1.011 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 10 -ATOM 14440 N N . PHE A 1 7 ? 7.286 7.201 -7.149 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 10 -ATOM 14441 C CA . PHE A 1 7 ? 6.317 6.633 -8.048 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 10 -ATOM 14442 C C . PHE A 1 7 ? 5.392 5.744 -7.249 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 10 -ATOM 14443 O O . PHE A 1 7 ? 5.752 5.304 -6.170 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 10 -ATOM 14444 C CB . PHE A 1 7 ? 7.003 5.809 -9.140 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 10 -ATOM 14445 C CG . PHE A 1 7 ? 7.959 6.580 -9.999 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 10 -ATOM 14446 C CD1 . PHE A 1 7 ? 7.536 7.690 -10.702 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 10 -ATOM 14447 C CD2 . PHE A 1 7 ? 9.277 6.174 -10.122 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 10 -ATOM 14448 C CE1 . PHE A 1 7 ? 8.407 8.385 -11.510 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 10 -ATOM 14449 C CE2 . PHE A 1 7 ? 10.155 6.868 -10.926 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 10 -ATOM 14450 C CZ . PHE A 1 7 ? 9.719 7.975 -11.623 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 10 -ATOM 14451 H H . PHE A 1 7 ? 8.167 6.771 -7.056 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 10 -ATOM 14452 H HA . PHE A 1 7 ? 5.750 7.433 -8.499 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 10 -ATOM 14453 H HB2 . PHE A 1 7 ? 7.570 5.020 -8.668 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 10 -ATOM 14454 H HB3 . PHE A 1 7 ? 6.255 5.363 -9.777 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 10 -ATOM 14455 H HD1 . PHE A 1 7 ? 6.510 8.015 -10.612 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 10 -ATOM 14456 H HD2 . PHE A 1 7 ? 9.619 5.307 -9.576 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 10 -ATOM 14457 H HE1 . PHE A 1 7 ? 8.057 9.250 -12.051 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 10 -ATOM 14458 H HE2 . PHE A 1 7 ? 11.182 6.544 -11.012 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 10 -ATOM 14459 H HZ . PHE A 1 7 ? 10.402 8.520 -12.257 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 10 -ATOM 14460 N N . LEU A 1 8 ? 4.223 5.500 -7.744 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 10 -ATOM 14461 C CA . LEU A 1 8 ? 3.285 4.636 -7.063 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 10 -ATOM 14462 C C . LEU A 1 8 ? 2.867 3.570 -8.059 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 10 -ATOM 14463 O O . LEU A 1 8 ? 2.503 3.897 -9.200 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 10 -ATOM 14464 C CB . LEU A 1 8 ? 2.056 5.467 -6.577 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 10 -ATOM 14465 C CG . LEU A 1 8 ? 1.122 4.865 -5.475 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 10 -ATOM 14466 C CD1 . LEU A 1 8 ? 0.438 3.583 -5.894 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 10 -ATOM 14467 C CD2 . LEU A 1 8 ? 1.868 4.655 -4.175 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 10 -ATOM 14468 H H . LEU A 1 8 ? 3.964 5.890 -8.607 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 10 -ATOM 14469 H HA . LEU A 1 8 ? 3.780 4.177 -6.221 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 10 -ATOM 14470 H HB2 . LEU A 1 8 ? 2.428 6.410 -6.208 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 10 -ATOM 14471 H HB3 . LEU A 1 8 ? 1.450 5.677 -7.447 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 10 -ATOM 14472 H HG . LEU A 1 8 ? 0.336 5.581 -5.281 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 10 -ATOM 14473 H HD11 . LEU A 1 8 ? -0.223 3.770 -6.728 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 10 -ATOM 14474 H HD12 . LEU A 1 8 ? -0.116 3.188 -5.054 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 10 -ATOM 14475 H HD13 . LEU A 1 8 ? 1.190 2.863 -6.184 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 10 -ATOM 14476 H HD21 . LEU A 1 8 ? 2.712 4.003 -4.342 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 10 -ATOM 14477 H HD22 . LEU A 1 8 ? 1.203 4.186 -3.465 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 10 -ATOM 14478 H HD23 . LEU A 1 8 ? 2.204 5.601 -3.780 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 10 -ATOM 14479 N N . ASP A 1 9 ? 2.956 2.325 -7.681 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 10 -ATOM 14480 C CA . ASP A 1 9 ? 2.536 1.248 -8.557 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 10 -ATOM 14481 C C . ASP A 1 9 ? 1.828 0.186 -7.742 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 10 -ATOM 14482 O O . ASP A 1 9 ? 2.026 0.097 -6.531 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 10 -ATOM 14483 C CB . ASP A 1 9 ? 3.727 0.657 -9.329 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 10 -ATOM 14484 C CG . ASP A 1 9 ? 3.305 -0.300 -10.434 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 10 -ATOM 14485 O OD1 . ASP A 1 9 ? 2.173 -0.175 -10.946 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 10 -ATOM 14486 O OD2 . ASP A 1 9 ? 4.101 -1.172 -10.827 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 10 -ATOM 14487 H H . ASP A 1 9 ? 3.305 2.102 -6.786 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 10 -ATOM 14488 H HA . ASP A 1 9 ? 1.827 1.664 -9.258 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 10 -ATOM 14489 H HB2 . ASP A 1 9 ? 4.298 1.458 -9.775 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 10 -ATOM 14490 H HB3 . ASP A 1 9 ? 4.350 0.119 -8.632 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 10 -ATOM 14491 N N . PHE A 1 10 ? 1.008 -0.593 -8.384 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 10 -ATOM 14492 C CA . PHE A 1 10 ? 0.221 -1.610 -7.717 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 10 -ATOM 14493 C C . PHE A 1 10 ? 0.551 -2.980 -8.269 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 10 -ATOM 14494 O O . PHE A 1 10 ? 0.785 -3.131 -9.480 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 10 -ATOM 14495 C CB . PHE A 1 10 ? -1.285 -1.380 -7.938 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 10 -ATOM 14496 C CG . PHE A 1 10 ? -1.863 -0.098 -7.403 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 10 -ATOM 14497 C CD1 . PHE A 1 10 ? -1.839 1.062 -8.161 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 10 -ATOM 14498 C CD2 . PHE A 1 10 ? -2.462 -0.065 -6.156 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 10 -ATOM 14499 C CE1 . PHE A 1 10 ? -2.398 2.229 -7.682 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 10 -ATOM 14500 C CE2 . PHE A 1 10 ? -3.019 1.100 -5.670 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 10 -ATOM 14501 C CZ . PHE A 1 10 ? -2.989 2.248 -6.435 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 10 -ATOM 14502 H H . PHE A 1 10 ? 0.968 -0.500 -9.362 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 10 -ATOM 14503 H HA . PHE A 1 10 ? 0.422 -1.576 -6.657 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 10 -ATOM 14504 H HB2 . PHE A 1 10 ? -1.477 -1.388 -9.001 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 10 -ATOM 14505 H HB3 . PHE A 1 10 ? -1.825 -2.203 -7.492 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 10 -ATOM 14506 H HD1 . PHE A 1 10 ? -1.374 1.050 -9.135 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 10 -ATOM 14507 H HD2 . PHE A 1 10 ? -2.487 -0.962 -5.557 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 10 -ATOM 14508 H HE1 . PHE A 1 10 ? -2.373 3.127 -8.282 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 10 -ATOM 14509 H HE2 . PHE A 1 10 ? -3.480 1.112 -4.693 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 10 -ATOM 14510 H HZ . PHE A 1 10 ? -3.428 3.162 -6.059 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 10 -ATOM 14511 N N . ASP A 1 11 ? 0.579 -3.962 -7.396 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 10 -ATOM 14512 C CA . ASP A 1 11 ? 0.698 -5.367 -7.794 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 10 -ATOM 14513 C C . ASP A 1 11 ? -0.587 -5.773 -8.519 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 10 -ATOM 14514 O O . ASP A 1 11 ? -1.627 -5.144 -8.304 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 10 -ATOM 14515 C CB . ASP A 1 11 ? 0.896 -6.255 -6.553 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 10 -ATOM 14516 C CG . ASP A 1 11 ? 1.025 -7.719 -6.896 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 10 -ATOM 14517 O OD1 . ASP A 1 11 ? 0.006 -8.405 -6.972 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 10 -ATOM 14518 O OD2 . ASP A 1 11 ? 2.149 -8.195 -7.101 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 10 -ATOM 14519 H H . ASP A 1 11 ? 0.538 -3.746 -6.436 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 10 -ATOM 14520 H HA . ASP A 1 11 ? 1.541 -5.468 -8.461 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 10 -ATOM 14521 H HB2 . ASP A 1 11 ? 1.793 -5.948 -6.036 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 10 -ATOM 14522 H HB3 . ASP A 1 11 ? 0.050 -6.131 -5.894 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 10 -ATOM 14523 N N . GLU A 1 12 ? -0.533 -6.778 -9.384 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 10 -ATOM 14524 C CA . GLU A 1 12 ? -1.721 -7.204 -10.109 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 10 -ATOM 14525 C C . GLU A 1 12 ? -2.863 -7.657 -9.181 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 10 -ATOM 14526 O O . GLU A 1 12 ? -4.026 -7.468 -9.509 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 10 -ATOM 14527 C CB . GLU A 1 12 ? -1.395 -8.209 -11.244 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 10 -ATOM 14528 C CG . GLU A 1 12 ? -0.693 -9.514 -10.849 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 10 -ATOM 14529 C CD . GLU A 1 12 ? -1.597 -10.560 -10.221 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 10 -ATOM 14530 O OE1 . GLU A 1 12 ? -2.779 -10.657 -10.602 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 10 -ATOM 14531 O OE2 . GLU A 1 12 ? -1.118 -11.343 -9.387 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 10 -ATOM 14532 H H . GLU A 1 12 ? 0.316 -7.249 -9.523 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 10 -ATOM 14533 H HA . GLU A 1 12 ? -2.085 -6.293 -10.563 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 10 -ATOM 14534 H HB2 . GLU A 1 12 ? -2.324 -8.485 -11.719 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 10 -ATOM 14535 H HB3 . GLU A 1 12 ? -0.781 -7.702 -11.975 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 10 -ATOM 14536 H HG2 . GLU A 1 12 ? -0.212 -9.948 -11.713 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 10 -ATOM 14537 H HG3 . GLU A 1 12 ? 0.059 -9.249 -10.123 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 10 -ATOM 14538 N N . ARG A 1 13 ? -2.524 -8.189 -8.001 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 10 -ATOM 14539 C CA . ARG A 1 13 ? -3.541 -8.566 -7.015 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 10 -ATOM 14540 C C . ARG A 1 13 ? -4.122 -7.306 -6.438 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 10 -ATOM 14541 O O . ARG A 1 13 ? -5.337 -7.159 -6.316 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 10 -ATOM 14542 C CB . ARG A 1 13 ? -2.935 -9.382 -5.871 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 10 -ATOM 14543 C CG . ARG A 1 13 ? -2.233 -10.634 -6.311 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 10 -ATOM 14544 C CD . ARG A 1 13 ? -3.179 -11.668 -6.862 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 10 -ATOM 14545 N NE . ARG A 1 13 ? -2.420 -12.740 -7.489 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 10 -ATOM 14546 C CZ . ARG A 1 13 ? -2.357 -14.009 -7.081 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 10 -ATOM 14547 N NH1 . ARG A 1 13 ? -3.002 -14.396 -5.984 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 10 -ATOM 14548 N NH2 . ARG A 1 13 ? -1.627 -14.884 -7.764 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 10 -ATOM 14549 H H . ARG A 1 13 ? -1.570 -8.323 -7.779 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 10 -ATOM 14550 H HA . ARG A 1 13 ? -4.315 -9.136 -7.504 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 10 -ATOM 14551 H HB2 . ARG A 1 13 ? -2.220 -8.764 -5.346 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 10 -ATOM 14552 H HB3 . ARG A 1 13 ? -3.724 -9.656 -5.187 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 10 -ATOM 14553 H HG2 . ARG A 1 13 ? -1.533 -10.370 -7.090 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 10 -ATOM 14554 H HG3 . ARG A 1 13 ? -1.697 -11.051 -5.471 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 10 -ATOM 14555 H HD2 . ARG A 1 13 ? -3.782 -12.065 -6.060 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 10 -ATOM 14556 H HD3 . ARG A 1 13 ? -3.815 -11.211 -7.605 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 10 -ATOM 14557 H HE . ARG A 1 13 ? -1.926 -12.411 -8.285 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 10 -ATOM 14558 H HH11 . ARG A 1 13 ? -3.550 -13.760 -5.433 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 10 -ATOM 14559 H HH12 . ARG A 1 13 ? -2.979 -15.338 -5.644 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 10 -ATOM 14560 H HH21 . ARG A 1 13 ? -1.116 -14.617 -8.588 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 10 -ATOM 14561 H HH22 . ARG A 1 13 ? -1.535 -15.846 -7.502 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 10 -ATOM 14562 N N . ALA A 1 14 ? -3.231 -6.367 -6.149 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 10 -ATOM 14563 C CA . ALA A 1 14 ? -3.591 -5.101 -5.554 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 10 -ATOM 14564 C C . ALA A 1 14 ? -4.512 -4.312 -6.467 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 10 -ATOM 14565 O O . ALA A 1 14 ? -5.421 -3.674 -5.994 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 10 -ATOM 14566 C CB . ALA A 1 14 ? -2.351 -4.293 -5.198 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 10 -ATOM 14567 H H . ALA A 1 14 ? -2.293 -6.546 -6.372 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 10 -ATOM 14568 H HA . ALA A 1 14 ? -4.127 -5.318 -4.642 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 10 -ATOM 14569 H HB1 . ALA A 1 14 ? -2.645 -3.380 -4.702 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 10 -ATOM 14570 H HB2 . ALA A 1 14 ? -1.806 -4.058 -6.099 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 10 -ATOM 14571 H HB3 . ALA A 1 14 ? -1.720 -4.874 -4.540 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 10 -ATOM 14572 N N . LEU A 1 15 ? -4.291 -4.401 -7.780 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 10 -ATOM 14573 C CA . LEU A 1 15 ? -5.139 -3.726 -8.754 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 10 -ATOM 14574 C C . LEU A 1 15 ? -6.550 -4.258 -8.695 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 10 -ATOM 14575 O O . LEU A 1 15 ? -7.520 -3.494 -8.703 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 10 -ATOM 14576 C CB . LEU A 1 15 ? -4.596 -3.904 -10.170 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 10 -ATOM 14577 C CG . LEU A 1 15 ? -3.385 -3.065 -10.557 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 10 -ATOM 14578 C CD1 . LEU A 1 15 ? -2.891 -3.482 -11.934 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 10 -ATOM 14579 C CD2 . LEU A 1 15 ? -3.758 -1.581 -10.566 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 10 -ATOM 14580 H H . LEU A 1 15 ? -3.535 -4.939 -8.107 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 10 -ATOM 14581 H HA . LEU A 1 15 ? -5.152 -2.675 -8.516 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 10 -ATOM 14582 H HB2 . LEU A 1 15 ? -4.330 -4.944 -10.289 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 10 -ATOM 14583 H HB3 . LEU A 1 15 ? -5.396 -3.683 -10.855 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 10 -ATOM 14584 H HG . LEU A 1 15 ? -2.590 -3.215 -9.842 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 10 -ATOM 14585 H HD11 . LEU A 1 15 ? -2.037 -2.885 -12.212 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 10 -ATOM 14586 H HD12 . LEU A 1 15 ? -3.679 -3.338 -12.659 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 10 -ATOM 14587 H HD13 . LEU A 1 15 ? -2.610 -4.524 -11.917 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 10 -ATOM 14588 H HD21 . LEU A 1 15 ? -2.897 -0.992 -10.847 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 10 -ATOM 14589 H HD22 . LEU A 1 15 ? -4.104 -1.272 -9.591 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 10 -ATOM 14590 H HD23 . LEU A 1 15 ? -4.548 -1.414 -11.283 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 10 -ATOM 14591 N N . LYS A 1 16 ? -6.651 -5.559 -8.598 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 10 -ATOM 14592 C CA . LYS A 1 16 ? -7.927 -6.229 -8.559 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 10 -ATOM 14593 C C . LYS A 1 16 ? -8.666 -5.868 -7.297 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 10 -ATOM 14594 O O . LYS A 1 16 ? -9.834 -5.521 -7.350 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 10 -ATOM 14595 C CB . LYS A 1 16 ? -7.705 -7.725 -8.631 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 10 -ATOM 14596 C CG . LYS A 1 16 ? -7.031 -8.153 -9.909 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 10 -ATOM 14597 C CD . LYS A 1 16 ? -6.507 -9.555 -9.809 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 10 -ATOM 14598 C CE . LYS A 1 16 ? -5.844 -9.972 -11.096 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 10 -ATOM 14599 N NZ . LYS A 1 16 ? -5.312 -11.341 -11.022 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 10 -ATOM 14600 H H . LYS A 1 16 ? -5.831 -6.095 -8.544 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 10 -ATOM 14601 H HA . LYS A 1 16 ? -8.504 -5.923 -9.418 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 10 -ATOM 14602 H HB2 . LYS A 1 16 ? -7.082 -8.022 -7.800 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 10 -ATOM 14603 H HB3 . LYS A 1 16 ? -8.657 -8.228 -8.561 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 10 -ATOM 14604 H HG2 . LYS A 1 16 ? -7.745 -8.105 -10.718 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 10 -ATOM 14605 H HG3 . LYS A 1 16 ? -6.209 -7.483 -10.114 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 10 -ATOM 14606 H HD2 . LYS A 1 16 ? -5.773 -9.572 -9.016 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 10 -ATOM 14607 H HD3 . LYS A 1 16 ? -7.322 -10.226 -9.584 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 10 -ATOM 14608 H HE2 . LYS A 1 16 ? -6.552 -9.909 -11.907 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 10 -ATOM 14609 H HE3 . LYS A 1 16 ? -5.017 -9.299 -11.279 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 10 -ATOM 14610 H HZ1 . LYS A 1 16 ? -4.408 -11.319 -10.501 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 10 -ATOM 14611 H HZ2 . LYS A 1 16 ? -5.135 -11.718 -11.977 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 10 -ATOM 14612 H HZ3 . LYS A 1 16 ? -5.974 -11.974 -10.533 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 10 -ATOM 14613 N N . GLU A 1 17 ? -7.953 -5.876 -6.176 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 10 -ATOM 14614 C CA . GLU A 1 17 ? -8.536 -5.547 -4.894 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 10 -ATOM 14615 C C . GLU A 1 17 ? -8.913 -4.061 -4.834 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 10 -ATOM 14616 O O . GLU A 1 17 ? -9.929 -3.701 -4.293 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 10 -ATOM 14617 C CB . GLU A 1 17 ? -7.568 -5.892 -3.772 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 10 -ATOM 14618 C CG . GLU A 1 17 ? -7.119 -7.347 -3.758 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 10 -ATOM 14619 C CD . GLU A 1 17 ? -8.247 -8.339 -3.601 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 10 -ATOM 14620 O OE1 . GLU A 1 17 ? -8.840 -8.438 -2.498 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 10 -ATOM 14621 O OE2 . GLU A 1 17 ? -8.553 -9.055 -4.560 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 10 -ATOM 14622 H H . GLU A 1 17 ? -7.006 -6.142 -6.201 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 10 -ATOM 14623 H HA . GLU A 1 17 ? -9.425 -6.147 -4.784 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 10 -ATOM 14624 H HB2 . GLU A 1 17 ? -6.689 -5.272 -3.880 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 10 -ATOM 14625 H HB3 . GLU A 1 17 ? -8.039 -5.669 -2.827 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 10 -ATOM 14626 H HG2 . GLU A 1 17 ? -6.635 -7.547 -4.703 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 10 -ATOM 14627 H HG3 . GLU A 1 17 ? -6.397 -7.489 -2.970 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 10 -ATOM 14628 N N . TRP A 1 18 ? -8.087 -3.233 -5.426 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 10 -ATOM 14629 C CA . TRP A 1 18 ? -8.280 -1.784 -5.483 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 10 -ATOM 14630 C C . TRP A 1 18 ? -9.563 -1.428 -6.252 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 10 -ATOM 14631 O O . TRP A 1 18 ? -10.360 -0.580 -5.827 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 10 -ATOM 14632 C CB . TRP A 1 18 ? -7.043 -1.174 -6.161 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 10 -ATOM 14633 C CG . TRP A 1 18 ? -7.046 0.295 -6.345 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 10 -ATOM 14634 C CD1 . TRP A 1 18 ? -7.214 0.965 -7.516 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 10 -ATOM 14635 C CD2 . TRP A 1 18 ? -6.849 1.282 -5.338 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 10 -ATOM 14636 N NE1 . TRP A 1 18 ? -7.139 2.311 -7.297 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 10 -ATOM 14637 C CE2 . TRP A 1 18 ? -6.917 2.533 -5.967 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 10 -ATOM 14638 C CE3 . TRP A 1 18 ? -6.623 1.226 -3.962 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 10 -ATOM 14639 C CZ2 . TRP A 1 18 ? -6.768 3.719 -5.271 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 10 -ATOM 14640 C CZ3 . TRP A 1 18 ? -6.474 2.404 -3.272 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 10 -ATOM 14641 C CH2 . TRP A 1 18 ? -6.547 3.635 -3.926 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 10 -ATOM 14642 H H . TRP A 1 18 ? -7.274 -3.603 -5.836 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 10 -ATOM 14643 H HA . TRP A 1 18 ? -8.350 -1.402 -4.474 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 10 -ATOM 14644 H HB2 . TRP A 1 18 ? -6.173 -1.413 -5.569 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 10 -ATOM 14645 H HB3 . TRP A 1 18 ? -6.928 -1.636 -7.130 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 10 -ATOM 14646 H HD1 . TRP A 1 18 ? -7.374 0.481 -8.469 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 10 -ATOM 14647 H HE1 . TRP A 1 18 ? -7.234 2.999 -7.992 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 10 -ATOM 14648 H HE3 . TRP A 1 18 ? -6.566 0.281 -3.444 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 10 -ATOM 14649 H HZ2 . TRP A 1 18 ? -6.824 4.676 -5.768 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 10 -ATOM 14650 H HZ3 . TRP A 1 18 ? -6.297 2.383 -2.207 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 10 -ATOM 14651 H HH2 . TRP A 1 18 ? -6.422 4.535 -3.342 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 10 -ATOM 14652 N N . ARG A 1 19 ? -9.756 -2.073 -7.375 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 10 -ATOM 14653 C CA . ARG A 1 19 ? -10.938 -1.850 -8.183 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 10 -ATOM 14654 C C . ARG A 1 19 ? -12.163 -2.525 -7.556 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 10 -ATOM 14655 O O . ARG A 1 19 ? -13.299 -2.124 -7.795 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 10 -ATOM 14656 C CB . ARG A 1 19 ? -10.691 -2.310 -9.609 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 10 -ATOM 14657 C CG . ARG A 1 19 ? -9.551 -1.549 -10.274 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 10 -ATOM 14658 C CD . ARG A 1 19 ? -9.269 -2.065 -11.662 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 10 -ATOM 14659 N NE . ARG A 1 19 ? -8.079 -1.440 -12.259 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 10 -ATOM 14660 C CZ . ARG A 1 19 ? -7.345 -1.997 -13.242 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 10 -ATOM 14661 N NH1 . ARG A 1 19 ? -7.727 -3.154 -13.788 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 10 -ATOM 14662 N NH2 . ARG A 1 19 ? -6.249 -1.390 -13.682 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 10 -ATOM 14663 H H . ARG A 1 19 ? -9.070 -2.711 -7.672 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 10 -ATOM 14664 H HA . ARG A 1 19 ? -11.117 -0.784 -8.185 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 10 -ATOM 14665 H HB2 . ARG A 1 19 ? -10.445 -3.361 -9.595 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 10 -ATOM 14666 H HB3 . ARG A 1 19 ? -11.589 -2.162 -10.188 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 10 -ATOM 14667 H HG2 . ARG A 1 19 ? -9.818 -0.505 -10.337 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 10 -ATOM 14668 H HG3 . ARG A 1 19 ? -8.664 -1.656 -9.667 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 10 -ATOM 14669 H HD2 . ARG A 1 19 ? -9.108 -3.131 -11.604 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 10 -ATOM 14670 H HD3 . ARG A 1 19 ? -10.124 -1.858 -12.289 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 10 -ATOM 14671 H HE . ARG A 1 19 ? -7.828 -0.571 -11.871 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 10 -ATOM 14672 H HH11 . ARG A 1 19 ? -8.557 -3.638 -13.501 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 10 -ATOM 14673 H HH12 . ARG A 1 19 ? -7.203 -3.616 -14.510 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 10 -ATOM 14674 H HH21 . ARG A 1 19 ? -5.941 -0.514 -13.300 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 10 -ATOM 14675 H HH22 . ARG A 1 19 ? -5.678 -1.781 -14.409 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 10 -ATOM 14676 N N . LYS A 1 20 ? -11.895 -3.516 -6.741 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 10 -ATOM 14677 C CA . LYS A 1 20 ? -12.886 -4.281 -5.979 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 10 -ATOM 14678 C C . LYS A 1 20 ? -13.369 -3.484 -4.765 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 10 -ATOM 14679 O O . LYS A 1 20 ? -14.518 -3.625 -4.322 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 10 -ATOM 14680 C CB . LYS A 1 20 ? -12.194 -5.566 -5.533 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 10 -ATOM 14681 C CG . LYS A 1 20 ? -12.838 -6.375 -4.444 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 10 -ATOM 14682 C CD . LYS A 1 20 ? -11.912 -7.514 -4.075 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 10 -ATOM 14683 C CE . LYS A 1 20 ? -12.392 -8.279 -2.879 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 10 -ATOM 14684 N NZ . LYS A 1 20 ? -11.462 -9.375 -2.536 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 10 -ATOM 14685 H H . LYS A 1 20 ? -10.955 -3.779 -6.640 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 10 -ATOM 14686 H HA . LYS A 1 20 ? -13.716 -4.537 -6.619 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 10 -ATOM 14687 H HB2 . LYS A 1 20 ? -12.090 -6.210 -6.393 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 10 -ATOM 14688 H HB3 . LYS A 1 20 ? -11.202 -5.288 -5.207 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 10 -ATOM 14689 H HG2 . LYS A 1 20 ? -13.001 -5.746 -3.582 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 10 -ATOM 14690 H HG3 . LYS A 1 20 ? -13.773 -6.777 -4.800 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 10 -ATOM 14691 H HD2 . LYS A 1 20 ? -11.845 -8.193 -4.912 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 10 -ATOM 14692 H HD3 . LYS A 1 20 ? -10.934 -7.113 -3.862 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 10 -ATOM 14693 H HE2 . LYS A 1 20 ? -12.472 -7.604 -2.039 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 10 -ATOM 14694 H HE3 . LYS A 1 20 ? -13.364 -8.692 -3.101 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 10 -ATOM 14695 H HZ1 . LYS A 1 20 ? -11.794 -9.864 -1.681 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 10 -ATOM 14696 H HZ2 . LYS A 1 20 ? -10.485 -9.022 -2.417 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 10 -ATOM 14697 H HZ3 . LYS A 1 20 ? -11.443 -10.069 -3.312 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 10 -ATOM 14698 N N . LEU A 1 21 ? -12.480 -2.678 -4.235 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 10 -ATOM 14699 C CA . LEU A 1 21 ? -12.741 -1.824 -3.093 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 10 -ATOM 14700 C C . LEU A 1 21 ? -13.850 -0.834 -3.374 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 10 -ATOM 14701 O O . LEU A 1 21 ? -14.077 -0.443 -4.525 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 10 -ATOM 14702 C CB . LEU A 1 21 ? -11.472 -1.068 -2.715 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 10 -ATOM 14703 C CG . LEU A 1 21 ? -10.832 -1.408 -1.369 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 10 -ATOM 14704 C CD1 . LEU A 1 21 ? -10.473 -2.882 -1.266 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 10 -ATOM 14705 C CD2 . LEU A 1 21 ? -9.606 -0.554 -1.167 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 10 -ATOM 14706 H H . LEU A 1 21 ? -11.576 -2.674 -4.617 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 10 -ATOM 14707 H HA . LEU A 1 21 ? -13.021 -2.449 -2.258 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 10 -ATOM 14708 H HB2 . LEU A 1 21 ? -10.737 -1.249 -3.488 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 10 -ATOM 14709 H HB3 . LEU A 1 21 ? -11.710 -0.014 -2.719 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 10 -ATOM 14710 H HG . LEU A 1 21 ? -11.528 -1.171 -0.581 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 10 -ATOM 14711 H HD11 . LEU A 1 21 ? -9.778 -3.141 -2.052 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 10 -ATOM 14712 H HD12 . LEU A 1 21 ? -11.366 -3.480 -1.363 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 10 -ATOM 14713 H HD13 . LEU A 1 21 ? -10.016 -3.071 -0.306 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 10 -ATOM 14714 H HD21 . LEU A 1 21 ? -9.168 -0.779 -0.206 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 10 -ATOM 14715 H HD22 . LEU A 1 21 ? -9.892 0.487 -1.200 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 10 -ATOM 14716 H HD23 . LEU A 1 21 ? -8.889 -0.758 -1.948 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 10 -ATOM 14717 N N . GLY A 1 22 ? -14.528 -0.440 -2.329 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 10 -ATOM 14718 C CA . GLY A 1 22 ? -15.591 0.511 -2.430 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 10 -ATOM 14719 C C . GLY A 1 22 ? -15.050 1.867 -2.765 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 10 -ATOM 14720 O O . GLY A 1 22 ? -13.939 2.213 -2.330 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 10 -ATOM 14721 H H . GLY A 1 22 ? -14.286 -0.812 -1.455 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 10 -ATOM 14722 H HA2 . GLY A 1 22 ? -16.276 0.194 -3.203 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 10 -ATOM 14723 H HA3 . GLY A 1 22 ? -16.112 0.564 -1.485 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 10 -ATOM 14724 N N . SER A 1 23 ? -15.821 2.630 -3.511 1.00 0.00 ? ? ? ? ? ? 20 SER A N 10 -ATOM 14725 C CA . SER A 1 23 ? -15.438 3.938 -4.013 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 10 -ATOM 14726 C C . SER A 1 23 ? -14.861 4.844 -2.912 1.00 0.00 ? ? ? ? ? ? 20 SER A C 10 -ATOM 14727 O O . SER A 1 23 ? -13.724 5.282 -3.004 1.00 0.00 ? ? ? ? ? ? 20 SER A O 10 -ATOM 14728 C CB . SER A 1 23 ? -16.661 4.577 -4.652 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 10 -ATOM 14729 O OG . SER A 1 23 ? -17.254 3.675 -5.585 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 10 -ATOM 14730 H H . SER A 1 23 ? -16.714 2.306 -3.757 1.00 0.00 ? ? ? ? ? ? 20 SER A H 10 -ATOM 14731 H HA . SER A 1 23 ? -14.693 3.799 -4.780 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 10 -ATOM 14732 H HB2 . SER A 1 23 ? -17.380 4.813 -3.881 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 10 -ATOM 14733 H HB3 . SER A 1 23 ? -16.376 5.481 -5.168 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 10 -ATOM 14734 H HG . SER A 1 23 ? -18.177 3.950 -5.664 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 10 -ATOM 14735 N N . THR A 1 24 ? -15.608 5.019 -1.853 1.00 0.00 ? ? ? ? ? ? 21 THR A N 10 -ATOM 14736 C CA . THR A 1 24 ? -15.234 5.901 -0.756 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 10 -ATOM 14737 C C . THR A 1 24 ? -13.951 5.411 -0.057 1.00 0.00 ? ? ? ? ? ? 21 THR A C 10 -ATOM 14738 O O . THR A 1 24 ? -13.097 6.213 0.356 1.00 0.00 ? ? ? ? ? ? 21 THR A O 10 -ATOM 14739 C CB . THR A 1 24 ? -16.399 5.972 0.248 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 10 -ATOM 14740 O OG1 . THR A 1 24 ? -17.602 6.286 -0.476 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 10 -ATOM 14741 C CG2 . THR A 1 24 ? -16.161 7.044 1.310 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 10 -ATOM 14742 H H . THR A 1 24 ? -16.457 4.533 -1.798 1.00 0.00 ? ? ? ? ? ? 21 THR A H 10 -ATOM 14743 H HA . THR A 1 24 ? -15.066 6.889 -1.158 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 10 -ATOM 14744 H HB . THR A 1 24 ? -16.504 5.007 0.722 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 10 -ATOM 14745 H HG1 . THR A 1 24 ? -18.332 5.811 -0.062 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 10 -ATOM 14746 H HG21 . THR A 1 24 ? -15.250 6.827 1.845 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 10 -ATOM 14747 H HG22 . THR A 1 24 ? -16.991 7.055 2.001 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 10 -ATOM 14748 H HG23 . THR A 1 24 ? -16.079 8.011 0.835 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 10 -ATOM 14749 N N . VAL A 1 25 ? -13.797 4.104 0.009 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 10 -ATOM 14750 C CA . VAL A 1 25 ? -12.655 3.509 0.661 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 10 -ATOM 14751 C C . VAL A 1 25 ? -11.404 3.770 -0.164 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 10 -ATOM 14752 O O . VAL A 1 25 ? -10.400 4.267 0.348 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 10 -ATOM 14753 C CB . VAL A 1 25 ? -12.859 1.974 0.808 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 10 -ATOM 14754 C CG1 . VAL A 1 25 ? -11.657 1.310 1.445 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 10 -ATOM 14755 C CG2 . VAL A 1 25 ? -14.116 1.667 1.604 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 10 -ATOM 14756 H H . VAL A 1 25 ? -14.463 3.523 -0.416 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 10 -ATOM 14757 H HA . VAL A 1 25 ? -12.534 3.943 1.642 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 10 -ATOM 14758 H HB . VAL A 1 25 ? -12.982 1.566 -0.184 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 10 -ATOM 14759 H HG11 . VAL A 1 25 ? -10.772 1.525 0.863 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 10 -ATOM 14760 H HG12 . VAL A 1 25 ? -11.818 0.243 1.474 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 10 -ATOM 14761 H HG13 . VAL A 1 25 ? -11.531 1.674 2.452 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 10 -ATOM 14762 H HG21 . VAL A 1 25 ? -14.036 2.102 2.588 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 10 -ATOM 14763 H HG22 . VAL A 1 25 ? -14.233 0.597 1.692 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 10 -ATOM 14764 H HG23 . VAL A 1 25 ? -14.973 2.084 1.094 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 10 -ATOM 14765 N N . ARG A 1 26 ? -11.500 3.499 -1.444 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 10 -ATOM 14766 C CA . ARG A 1 26 ? -10.384 3.698 -2.335 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 10 -ATOM 14767 C C . ARG A 1 26 ? -10.043 5.166 -2.557 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 10 -ATOM 14768 O O . ARG A 1 26 ? -8.879 5.497 -2.711 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 10 -ATOM 14769 C CB . ARG A 1 26 ? -10.529 2.953 -3.640 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 10 -ATOM 14770 C CG . ARG A 1 26 ? -11.795 3.241 -4.385 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 10 -ATOM 14771 C CD . ARG A 1 26 ? -11.667 2.783 -5.794 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 10 -ATOM 14772 N NE . ARG A 1 26 ? -12.934 2.882 -6.520 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 10 -ATOM 14773 C CZ . ARG A 1 26 ? -13.549 1.843 -7.111 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 10 -ATOM 14774 N NH1 . ARG A 1 26 ? -12.984 0.632 -7.096 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 10 -ATOM 14775 N NH2 . ARG A 1 26 ? -14.723 2.019 -7.710 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 10 -ATOM 14776 H H . ARG A 1 26 ? -12.354 3.155 -1.792 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 10 -ATOM 14777 H HA . ARG A 1 26 ? -9.536 3.281 -1.810 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 10 -ATOM 14778 H HB2 . ARG A 1 26 ? -9.695 3.188 -4.283 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 10 -ATOM 14779 H HB3 . ARG A 1 26 ? -10.514 1.896 -3.416 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 10 -ATOM 14780 H HG2 . ARG A 1 26 ? -12.577 2.664 -3.909 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 10 -ATOM 14781 H HG3 . ARG A 1 26 ? -12.061 4.288 -4.330 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 10 -ATOM 14782 H HD2 . ARG A 1 26 ? -10.917 3.422 -6.243 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 10 -ATOM 14783 H HD3 . ARG A 1 26 ? -11.313 1.763 -5.800 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 10 -ATOM 14784 H HE . ARG A 1 26 ? -13.334 3.783 -6.542 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 10 -ATOM 14785 H HH11 . ARG A 1 26 ? -12.097 0.460 -6.656 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 10 -ATOM 14786 H HH12 . ARG A 1 26 ? -13.421 -0.173 -7.511 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 10 -ATOM 14787 H HH21 . ARG A 1 26 ? -15.169 2.916 -7.740 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 10 -ATOM 14788 H HH22 . ARG A 1 26 ? -15.222 1.262 -8.147 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 10 -ATOM 14789 N N . GLU A 1 27 ? -11.056 6.037 -2.596 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 10 -ATOM 14790 C CA . GLU A 1 27 ? -10.826 7.472 -2.767 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 10 -ATOM 14791 C C . GLU A 1 27 ? -9.924 7.996 -1.684 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 10 -ATOM 14792 O O . GLU A 1 27 ? -8.915 8.640 -1.970 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 10 -ATOM 14793 C CB . GLU A 1 27 ? -12.129 8.262 -2.772 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 10 -ATOM 14794 C CG . GLU A 1 27 ? -12.964 8.069 -4.013 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 10 -ATOM 14795 C CD . GLU A 1 27 ? -14.255 8.825 -3.948 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 10 -ATOM 14796 O OE1 . GLU A 1 27 ? -14.234 10.071 -4.026 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 10 -ATOM 14797 O OE2 . GLU A 1 27 ? -15.325 8.192 -3.855 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 10 -ATOM 14798 H H . GLU A 1 27 ? -11.982 5.714 -2.524 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 10 -ATOM 14799 H HA . GLU A 1 27 ? -10.330 7.611 -3.715 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 10 -ATOM 14800 H HB2 . GLU A 1 27 ? -12.719 7.961 -1.919 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 10 -ATOM 14801 H HB3 . GLU A 1 27 ? -11.894 9.312 -2.681 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 10 -ATOM 14802 H HG2 . GLU A 1 27 ? -12.407 8.420 -4.869 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 10 -ATOM 14803 H HG3 . GLU A 1 27 ? -13.181 7.017 -4.128 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 10 -ATOM 14804 N N . GLN A 1 28 ? -10.247 7.671 -0.451 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 10 -ATOM 14805 C CA . GLN A 1 28 ? -9.463 8.128 0.668 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 10 -ATOM 14806 C C . GLN A 1 28 ? -8.081 7.475 0.693 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 10 -ATOM 14807 O O . GLN A 1 28 ? -7.094 8.113 1.065 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 10 -ATOM 14808 C CB . GLN A 1 28 ? -10.221 7.943 1.977 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 10 -ATOM 14809 C CG . GLN A 1 28 ? -11.132 9.106 2.382 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 10 -ATOM 14810 C CD . GLN A 1 28 ? -12.032 9.620 1.273 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 10 -ATOM 14811 O OE1 . GLN A 1 28 ? -11.672 10.537 0.538 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 10 -ATOM 14812 N NE2 . GLN A 1 28 ? -13.180 9.037 1.135 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 10 -ATOM 14813 H H . GLN A 1 28 ? -11.027 7.092 -0.279 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 10 -ATOM 14814 H HA . GLN A 1 28 ? -9.307 9.185 0.512 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 10 -ATOM 14815 H HB2 . GLN A 1 28 ? -10.836 7.060 1.894 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 10 -ATOM 14816 H HB3 . GLN A 1 28 ? -9.495 7.800 2.763 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 10 -ATOM 14817 H HG2 . GLN A 1 28 ? -11.765 8.774 3.192 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 10 -ATOM 14818 H HG3 . GLN A 1 28 ? -10.510 9.914 2.736 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 10 -ATOM 14819 H HE21 . GLN A 1 28 ? -13.405 8.302 1.742 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 10 -ATOM 14820 H HE22 . GLN A 1 28 ? -13.777 9.351 0.421 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 10 -ATOM 14821 N N . LEU A 1 29 ? -8.010 6.221 0.278 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 10 -ATOM 14822 C CA . LEU A 1 29 ? -6.732 5.520 0.203 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 10 -ATOM 14823 C C . LEU A 1 29 ? -5.829 6.118 -0.862 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 10 -ATOM 14824 O O . LEU A 1 29 ? -4.639 6.295 -0.630 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 10 -ATOM 14825 C CB . LEU A 1 29 ? -6.917 4.037 -0.048 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 10 -ATOM 14826 C CG . LEU A 1 29 ? -7.511 3.218 1.111 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 10 -ATOM 14827 C CD1 . LEU A 1 29 ? -7.707 1.784 0.691 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 10 -ATOM 14828 C CD2 . LEU A 1 29 ? -6.599 3.276 2.336 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 10 -ATOM 14829 H H . LEU A 1 29 ? -8.833 5.750 0.022 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 10 -ATOM 14830 H HA . LEU A 1 29 ? -6.244 5.652 1.157 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 10 -ATOM 14831 H HB2 . LEU A 1 29 ? -7.555 3.967 -0.918 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 10 -ATOM 14832 H HB3 . LEU A 1 29 ? -5.954 3.622 -0.307 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 10 -ATOM 14833 H HG . LEU A 1 29 ? -8.476 3.619 1.385 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 10 -ATOM 14834 H HD11 . LEU A 1 29 ? -8.127 1.222 1.512 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 10 -ATOM 14835 H HD12 . LEU A 1 29 ? -6.755 1.359 0.410 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 10 -ATOM 14836 H HD13 . LEU A 1 29 ? -8.381 1.747 -0.151 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 10 -ATOM 14837 H HD21 . LEU A 1 29 ? -5.624 2.892 2.075 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 10 -ATOM 14838 H HD22 . LEU A 1 29 ? -7.019 2.665 3.121 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 10 -ATOM 14839 H HD23 . LEU A 1 29 ? -6.507 4.293 2.687 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 10 -ATOM 14840 N N . LYS A 1 30 ? -6.394 6.436 -2.025 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 10 -ATOM 14841 C CA . LYS A 1 30 ? -5.633 7.066 -3.099 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 10 -ATOM 14842 C C . LYS A 1 30 ? -5.044 8.393 -2.620 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 10 -ATOM 14843 O O . LYS A 1 30 ? -3.892 8.723 -2.910 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 10 -ATOM 14844 C CB . LYS A 1 30 ? -6.510 7.326 -4.315 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 10 -ATOM 14845 C CG . LYS A 1 30 ? -5.727 7.931 -5.473 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 10 -ATOM 14846 C CD . LYS A 1 30 ? -6.606 8.420 -6.611 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 10 -ATOM 14847 C CE . LYS A 1 30 ? -7.375 9.667 -6.217 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 10 -ATOM 14848 N NZ . LYS A 1 30 ? -8.146 10.212 -7.344 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 10 -ATOM 14849 H H . LYS A 1 30 ? -7.341 6.207 -2.183 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 10 -ATOM 14850 H HA . LYS A 1 30 ? -4.827 6.402 -3.375 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 10 -ATOM 14851 H HB2 . LYS A 1 30 ? -6.938 6.384 -4.625 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 10 -ATOM 14852 H HB3 . LYS A 1 30 ? -7.308 7.984 -4.014 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 10 -ATOM 14853 H HG2 . LYS A 1 30 ? -5.186 8.776 -5.072 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 10 -ATOM 14854 H HG3 . LYS A 1 30 ? -5.026 7.195 -5.839 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 10 -ATOM 14855 H HD2 . LYS A 1 30 ? -5.987 8.655 -7.464 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 10 -ATOM 14856 H HD3 . LYS A 1 30 ? -7.306 7.641 -6.877 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 10 -ATOM 14857 H HE2 . LYS A 1 30 ? -8.049 9.430 -5.408 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 10 -ATOM 14858 H HE3 . LYS A 1 30 ? -6.662 10.406 -5.885 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 10 -ATOM 14859 H HZ1 . LYS A 1 30 ? -8.704 11.036 -7.046 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 10 -ATOM 14860 H HZ2 . LYS A 1 30 ? -8.806 9.513 -7.739 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 10 -ATOM 14861 H HZ3 . LYS A 1 30 ? -7.517 10.521 -8.111 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 10 -ATOM 14862 N N . LYS A 1 31 ? -5.849 9.142 -1.886 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 10 -ATOM 14863 C CA . LYS A 1 31 ? -5.422 10.407 -1.300 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 10 -ATOM 14864 C C . LYS A 1 31 ? -4.238 10.190 -0.374 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 10 -ATOM 14865 O O . LYS A 1 31 ? -3.271 10.951 -0.391 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 10 -ATOM 14866 C CB . LYS A 1 31 ? -6.566 11.061 -0.546 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 10 -ATOM 14867 C CG . LYS A 1 31 ? -7.731 11.412 -1.432 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 10 -ATOM 14868 C CD . LYS A 1 31 ? -8.852 12.031 -0.645 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 10 -ATOM 14869 C CE . LYS A 1 31 ? -10.009 12.392 -1.546 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 10 -ATOM 14870 N NZ . LYS A 1 31 ? -11.152 12.901 -0.776 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 10 -ATOM 14871 H H . LYS A 1 31 ? -6.769 8.822 -1.762 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 10 -ATOM 14872 H HA . LYS A 1 31 ? -5.125 11.052 -2.112 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 10 -ATOM 14873 H HB2 . LYS A 1 31 ? -6.911 10.379 0.216 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 10 -ATOM 14874 H HB3 . LYS A 1 31 ? -6.210 11.967 -0.080 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 10 -ATOM 14875 H HG2 . LYS A 1 31 ? -7.406 12.098 -2.198 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 10 -ATOM 14876 H HG3 . LYS A 1 31 ? -8.088 10.505 -1.899 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 10 -ATOM 14877 H HD2 . LYS A 1 31 ? -9.193 11.329 0.101 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 10 -ATOM 14878 H HD3 . LYS A 1 31 ? -8.489 12.925 -0.162 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 10 -ATOM 14879 H HE2 . LYS A 1 31 ? -9.683 13.154 -2.238 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 10 -ATOM 14880 H HE3 . LYS A 1 31 ? -10.313 11.513 -2.095 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 10 -ATOM 14881 H HZ1 . LYS A 1 31 ? -11.945 13.137 -1.404 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 10 -ATOM 14882 H HZ2 . LYS A 1 31 ? -10.910 13.760 -0.242 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 10 -ATOM 14883 H HZ3 . LYS A 1 31 ? -11.477 12.163 -0.114 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 10 -ATOM 14884 N N . LYS A 1 32 ? -4.303 9.119 0.397 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 10 -ATOM 14885 C CA . LYS A 1 32 ? -3.224 8.740 1.279 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 10 -ATOM 14886 C C . LYS A 1 32 ? -1.973 8.378 0.523 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 10 -ATOM 14887 O O . LYS A 1 32 ? -0.867 8.647 0.985 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 10 -ATOM 14888 C CB . LYS A 1 32 ? -3.631 7.623 2.228 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 10 -ATOM 14889 C CG . LYS A 1 32 ? -3.998 8.121 3.610 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 10 -ATOM 14890 C CD . LYS A 1 32 ? -5.132 9.115 3.584 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 10 -ATOM 14891 C CE . LYS A 1 32 ? -5.328 9.729 4.944 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 10 -ATOM 14892 N NZ . LYS A 1 32 ? -4.133 10.496 5.379 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 10 -ATOM 14893 H H . LYS A 1 32 ? -5.116 8.570 0.363 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 10 -ATOM 14894 H HA . LYS A 1 32 ? -2.997 9.611 1.872 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 10 -ATOM 14895 H HB2 . LYS A 1 32 ? -4.482 7.105 1.812 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 10 -ATOM 14896 H HB3 . LYS A 1 32 ? -2.808 6.929 2.319 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 10 -ATOM 14897 H HG2 . LYS A 1 32 ? -4.304 7.280 4.215 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 10 -ATOM 14898 H HG3 . LYS A 1 32 ? -3.132 8.589 4.056 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 10 -ATOM 14899 H HD2 . LYS A 1 32 ? -4.905 9.897 2.874 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 10 -ATOM 14900 H HD3 . LYS A 1 32 ? -6.040 8.608 3.291 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 10 -ATOM 14901 H HE2 . LYS A 1 32 ? -6.193 10.373 4.928 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 10 -ATOM 14902 H HE3 . LYS A 1 32 ? -5.482 8.907 5.628 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 10 -ATOM 14903 H HZ1 . LYS A 1 32 ? -3.342 9.861 5.607 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 10 -ATOM 14904 H HZ2 . LYS A 1 32 ? -4.336 11.063 6.225 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 10 -ATOM 14905 H HZ3 . LYS A 1 32 ? -3.808 11.144 4.626 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 10 -ATOM 14906 N N . LEU A 1 33 ? -2.146 7.781 -0.625 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 10 -ATOM 14907 C CA . LEU A 1 33 ? -1.036 7.424 -1.473 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 10 -ATOM 14908 C C . LEU A 1 33 ? -0.376 8.665 -2.049 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 10 -ATOM 14909 O O . LEU A 1 33 ? 0.837 8.812 -1.981 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 10 -ATOM 14910 C CB . LEU A 1 33 ? -1.484 6.495 -2.597 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 10 -ATOM 14911 C CG . LEU A 1 33 ? -2.079 5.161 -2.160 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 10 -ATOM 14912 C CD1 . LEU A 1 33 ? -2.502 4.348 -3.367 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 10 -ATOM 14913 C CD2 . LEU A 1 33 ? -1.087 4.389 -1.301 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 10 -ATOM 14914 H H . LEU A 1 33 ? -3.061 7.557 -0.906 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 10 -ATOM 14915 H HA . LEU A 1 33 ? -0.315 6.903 -0.863 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 10 -ATOM 14916 H HB2 . LEU A 1 33 ? -2.225 7.017 -3.185 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 10 -ATOM 14917 H HB3 . LEU A 1 33 ? -0.631 6.293 -3.227 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 10 -ATOM 14918 H HG . LEU A 1 33 ? -2.963 5.351 -1.568 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 10 -ATOM 14919 H HD11 . LEU A 1 33 ? -2.913 3.403 -3.045 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 10 -ATOM 14920 H HD12 . LEU A 1 33 ? -1.645 4.170 -3.999 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 10 -ATOM 14921 H HD13 . LEU A 1 33 ? -3.252 4.892 -3.924 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 10 -ATOM 14922 H HD21 . LEU A 1 33 ? -1.496 3.421 -1.056 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 10 -ATOM 14923 H HD22 . LEU A 1 33 ? -0.915 4.936 -0.385 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 10 -ATOM 14924 H HD23 . LEU A 1 33 ? -0.155 4.267 -1.830 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 10 -ATOM 14925 N N . VAL A 1 34 ? -1.176 9.582 -2.572 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 10 -ATOM 14926 C CA . VAL A 1 34 ? -0.628 10.775 -3.188 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 10 -ATOM 14927 C C . VAL A 1 34 ? 0.072 11.685 -2.157 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 10 -ATOM 14928 O O . VAL A 1 34 ? 1.135 12.240 -2.448 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 10 -ATOM 14929 C CB . VAL A 1 34 ? -1.665 11.561 -4.069 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 10 -ATOM 14930 C CG1 . VAL A 1 34 ? -2.795 12.161 -3.259 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 10 -ATOM 14931 C CG2 . VAL A 1 34 ? -0.980 12.623 -4.909 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 10 -ATOM 14932 H H . VAL A 1 34 ? -2.148 9.429 -2.553 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 10 -ATOM 14933 H HA . VAL A 1 34 ? 0.158 10.409 -3.834 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 10 -ATOM 14934 H HB . VAL A 1 34 ? -2.110 10.846 -4.745 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 10 -ATOM 14935 H HG11 . VAL A 1 34 ? -2.394 12.882 -2.563 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 10 -ATOM 14936 H HG12 . VAL A 1 34 ? -3.274 11.369 -2.705 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 10 -ATOM 14937 H HG13 . VAL A 1 34 ? -3.507 12.638 -3.917 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 10 -ATOM 14938 H HG21 . VAL A 1 34 ? -0.484 13.329 -4.258 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 10 -ATOM 14939 H HG22 . VAL A 1 34 ? -1.721 13.137 -5.504 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 10 -ATOM 14940 H HG23 . VAL A 1 34 ? -0.254 12.156 -5.558 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 10 -ATOM 14941 N N . GLU A 1 35 ? -0.492 11.805 -0.950 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 10 -ATOM 14942 C CA . GLU A 1 35 ? 0.141 12.601 0.100 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 10 -ATOM 14943 C C . GLU A 1 35 ? 1.443 11.930 0.577 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 10 -ATOM 14944 O O . GLU A 1 35 ? 2.489 12.587 0.709 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 10 -ATOM 14945 C CB . GLU A 1 35 ? -0.819 12.850 1.303 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 10 -ATOM 14946 C CG . GLU A 1 35 ? -1.328 11.577 1.948 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 10 -ATOM 14947 C CD . GLU A 1 35 ? -2.167 11.758 3.193 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 10 -ATOM 14948 O OE1 . GLU A 1 35 ? -3.370 12.073 3.096 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 10 -ATOM 14949 O OE2 . GLU A 1 35 ? -1.662 11.483 4.301 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 10 -ATOM 14950 H H . GLU A 1 35 ? -1.357 11.367 -0.779 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 10 -ATOM 14951 H HA . GLU A 1 35 ? 0.402 13.550 -0.345 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 10 -ATOM 14952 H HB2 . GLU A 1 35 ? -0.301 13.423 2.056 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 10 -ATOM 14953 H HB3 . GLU A 1 35 ? -1.671 13.417 0.953 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 10 -ATOM 14954 H HG2 . GLU A 1 35 ? -1.929 11.073 1.206 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 10 -ATOM 14955 H HG3 . GLU A 1 35 ? -0.479 10.953 2.183 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 10 -ATOM 14956 N N . VAL A 1 36 ? 1.393 10.616 0.757 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 10 -ATOM 14957 C CA . VAL A 1 36 ? 2.504 9.868 1.310 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 10 -ATOM 14958 C C . VAL A 1 36 ? 3.730 9.912 0.397 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 10 -ATOM 14959 O O . VAL A 1 36 ? 4.837 9.904 0.868 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 10 -ATOM 14960 C CB . VAL A 1 36 ? 2.135 8.406 1.724 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 10 -ATOM 14961 C CG1 . VAL A 1 36 ? 2.123 7.430 0.553 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 10 -ATOM 14962 C CG2 . VAL A 1 36 ? 3.022 7.926 2.848 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 10 -ATOM 14963 H H . VAL A 1 36 ? 0.575 10.129 0.510 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 10 -ATOM 14964 H HA . VAL A 1 36 ? 2.784 10.412 2.201 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 10 -ATOM 14965 H HB . VAL A 1 36 ? 1.122 8.440 2.100 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 10 -ATOM 14966 H HG11 . VAL A 1 36 ? 1.822 6.452 0.898 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 10 -ATOM 14967 H HG12 . VAL A 1 36 ? 3.114 7.374 0.125 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 10 -ATOM 14968 H HG13 . VAL A 1 36 ? 1.433 7.782 -0.199 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 10 -ATOM 14969 H HG21 . VAL A 1 36 ? 4.041 7.968 2.500 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 10 -ATOM 14970 H HG22 . VAL A 1 36 ? 2.763 6.910 3.108 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 10 -ATOM 14971 H HG23 . VAL A 1 36 ? 2.907 8.563 3.711 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 10 -ATOM 14972 N N . LEU A 1 37 ? 3.497 10.013 -0.909 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 10 -ATOM 14973 C CA . LEU A 1 37 ? 4.552 10.025 -1.931 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 10 -ATOM 14974 C C . LEU A 1 37 ? 5.630 11.084 -1.704 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 10 -ATOM 14975 O O . LEU A 1 37 ? 6.749 10.929 -2.206 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 10 -ATOM 14976 C CB . LEU A 1 37 ? 3.972 10.196 -3.337 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 10 -ATOM 14977 C CG . LEU A 1 37 ? 3.159 9.028 -3.889 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 10 -ATOM 14978 C CD1 . LEU A 1 37 ? 2.592 9.377 -5.253 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 10 -ATOM 14979 C CD2 . LEU A 1 37 ? 4.021 7.776 -3.979 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 10 -ATOM 14980 H H . LEU A 1 37 ? 2.563 10.060 -1.203 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 10 -ATOM 14981 H HA . LEU A 1 37 ? 5.035 9.060 -1.892 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 10 -ATOM 14982 H HB2 . LEU A 1 37 ? 3.333 11.066 -3.325 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 10 -ATOM 14983 H HB3 . LEU A 1 37 ? 4.790 10.386 -4.016 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 10 -ATOM 14984 H HG . LEU A 1 37 ? 2.334 8.824 -3.221 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 10 -ATOM 14985 H HD11 . LEU A 1 37 ? 3.405 9.579 -5.933 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 10 -ATOM 14986 H HD12 . LEU A 1 37 ? 1.967 10.254 -5.170 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 10 -ATOM 14987 H HD13 . LEU A 1 37 ? 2.005 8.550 -5.626 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 10 -ATOM 14988 H HD21 . LEU A 1 37 ? 4.318 7.460 -2.990 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 10 -ATOM 14989 H HD22 . LEU A 1 37 ? 4.903 7.999 -4.562 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 10 -ATOM 14990 H HD23 . LEU A 1 37 ? 3.469 6.987 -4.465 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 10 -ATOM 14991 N N . GLU A 1 38 ? 5.311 12.174 -1.003 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 10 -ATOM 14992 C CA . GLU A 1 38 ? 6.332 13.195 -0.766 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 10 -ATOM 14993 C C . GLU A 1 38 ? 7.334 12.736 0.307 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 10 -ATOM 14994 O O . GLU A 1 38 ? 8.490 13.154 0.308 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 10 -ATOM 14995 C CB . GLU A 1 38 ? 5.725 14.559 -0.411 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 10 -ATOM 14996 C CG . GLU A 1 38 ? 4.961 14.603 0.895 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 10 -ATOM 14997 C CD . GLU A 1 38 ? 4.398 15.965 1.177 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 10 -ATOM 14998 O OE1 . GLU A 1 38 ? 5.163 16.879 1.538 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 10 -ATOM 14999 O OE2 . GLU A 1 38 ? 3.175 16.154 1.074 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 10 -ATOM 15000 H H . GLU A 1 38 ? 4.405 12.281 -0.633 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 10 -ATOM 15001 H HA . GLU A 1 38 ? 6.881 13.284 -1.692 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 10 -ATOM 15002 H HB2 . GLU A 1 38 ? 6.522 15.285 -0.347 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 10 -ATOM 15003 H HB3 . GLU A 1 38 ? 5.054 14.858 -1.203 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 10 -ATOM 15004 H HG2 . GLU A 1 38 ? 4.146 13.897 0.843 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 10 -ATOM 15005 H HG3 . GLU A 1 38 ? 5.628 14.327 1.698 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 10 -ATOM 15006 N N . SER A 1 39 ? 6.895 11.845 1.182 1.00 0.00 ? ? ? ? ? ? 36 SER A N 10 -ATOM 15007 C CA . SER A 1 39 ? 7.724 11.319 2.245 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 10 -ATOM 15008 C C . SER A 1 39 ? 7.167 9.964 2.732 1.00 0.00 ? ? ? ? ? ? 36 SER A C 10 -ATOM 15009 O O . SER A 1 39 ? 6.510 9.896 3.759 1.00 0.00 ? ? ? ? ? ? 36 SER A O 10 -ATOM 15010 C CB . SER A 1 39 ? 7.821 12.340 3.404 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 10 -ATOM 15011 O OG . SER A 1 39 ? 6.521 12.703 3.884 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 10 -ATOM 15012 H H . SER A 1 39 ? 5.977 11.500 1.104 1.00 0.00 ? ? ? ? ? ? 36 SER A H 10 -ATOM 15013 H HA . SER A 1 39 ? 8.711 11.147 1.844 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 10 -ATOM 15014 H HB2 . SER A 1 39 ? 8.381 11.903 4.220 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 10 -ATOM 15015 H HB3 . SER A 1 39 ? 8.325 13.229 3.057 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 10 -ATOM 15016 H HG . SER A 1 39 ? 6.050 11.868 4.000 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 10 -ATOM 15017 N N . PRO A 1 40 ? 7.346 8.880 1.949 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 10 -ATOM 15018 C CA . PRO A 1 40 ? 6.808 7.562 2.308 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 10 -ATOM 15019 C C . PRO A 1 40 ? 7.710 6.763 3.235 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 10 -ATOM 15020 O O . PRO A 1 40 ? 7.358 5.692 3.663 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 10 -ATOM 15021 C CB . PRO A 1 40 ? 6.675 6.873 0.956 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 10 -ATOM 15022 C CG . PRO A 1 40 ? 7.795 7.435 0.151 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 10 -ATOM 15023 C CD . PRO A 1 40 ? 7.976 8.862 0.612 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 10 -ATOM 15024 H HA . PRO A 1 40 ? 5.839 7.634 2.772 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 10 -ATOM 15025 H HB2 . PRO A 1 40 ? 6.765 5.805 1.081 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 10 -ATOM 15026 H HB3 . PRO A 1 40 ? 5.718 7.113 0.516 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 10 -ATOM 15027 H HG2 . PRO A 1 40 ? 8.694 6.866 0.330 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 10 -ATOM 15028 H HG3 . PRO A 1 40 ? 7.544 7.413 -0.899 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 10 -ATOM 15029 H HD2 . PRO A 1 40 ? 9.021 9.123 0.671 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 10 -ATOM 15030 H HD3 . PRO A 1 40 ? 7.446 9.528 -0.057 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 10 -ATOM 15031 N N . ARG A 1 41 ? 8.841 7.316 3.573 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 10 -ATOM 15032 C CA . ARG A 1 41 ? 9.820 6.634 4.417 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 10 -ATOM 15033 C C . ARG A 1 41 ? 9.583 6.864 5.926 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 10 -ATOM 15034 O O . ARG A 1 41 ? 10.516 6.816 6.727 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 10 -ATOM 15035 C CB . ARG A 1 41 ? 11.256 7.007 3.978 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 10 -ATOM 15036 C CG . ARG A 1 41 ? 11.510 8.494 3.650 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 10 -ATOM 15037 C CD . ARG A 1 41 ? 11.285 9.441 4.829 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 10 -ATOM 15038 N NE . ARG A 1 41 ? 12.084 9.080 5.994 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 10 -ATOM 15039 C CZ . ARG A 1 41 ? 12.554 9.935 6.901 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 10 -ATOM 15040 N NH1 . ARG A 1 41 ? 12.455 11.250 6.716 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 10 -ATOM 15041 N NH2 . ARG A 1 41 ? 13.156 9.472 7.979 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 10 -ATOM 15042 H H . ARG A 1 41 ? 9.017 8.219 3.239 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 10 -ATOM 15043 H HA . ARG A 1 41 ? 9.681 5.578 4.237 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 10 -ATOM 15044 H HB2 . ARG A 1 41 ? 11.933 6.730 4.771 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 10 -ATOM 15045 H HB3 . ARG A 1 41 ? 11.507 6.422 3.104 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 10 -ATOM 15046 H HG2 . ARG A 1 41 ? 12.530 8.597 3.318 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 10 -ATOM 15047 H HG3 . ARG A 1 41 ? 10.855 8.778 2.840 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 10 -ATOM 15048 H HD2 . ARG A 1 41 ? 11.542 10.445 4.530 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 10 -ATOM 15049 H HD3 . ARG A 1 41 ? 10.240 9.408 5.098 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 10 -ATOM 15050 H HE . ARG A 1 41 ? 12.230 8.114 6.125 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 10 -ATOM 15051 H HH11 . ARG A 1 41 ? 12.033 11.675 5.914 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 10 -ATOM 15052 H HH12 . ARG A 1 41 ? 12.829 11.895 7.388 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 10 -ATOM 15053 H HH21 . ARG A 1 41 ? 13.276 8.492 8.145 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 10 -ATOM 15054 H HH22 . ARG A 1 41 ? 13.523 10.092 8.680 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 10 -ATOM 15055 N N . ILE A 1 42 ? 8.341 7.000 6.303 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 10 -ATOM 15056 C CA . ILE A 1 42 ? 7.973 7.295 7.681 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 10 -ATOM 15057 C C . ILE A 1 42 ? 7.954 6.001 8.505 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 10 -ATOM 15058 O O . ILE A 1 42 ? 7.095 5.136 8.305 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 10 -ATOM 15059 C CB . ILE A 1 42 ? 6.588 8.005 7.732 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 10 -ATOM 15060 C CG1 . ILE A 1 42 ? 6.671 9.341 6.973 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 10 -ATOM 15061 C CG2 . ILE A 1 42 ? 6.124 8.223 9.173 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 10 -ATOM 15062 C CD1 . ILE A 1 42 ? 5.362 10.096 6.865 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 10 -ATOM 15063 H H . ILE A 1 42 ? 7.641 6.855 5.632 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 10 -ATOM 15064 H HA . ILE A 1 42 ? 8.724 7.956 8.089 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 10 -ATOM 15065 H HB . ILE A 1 42 ? 5.866 7.374 7.236 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 10 -ATOM 15066 H HG12 . ILE A 1 42 ? 7.373 9.985 7.481 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 10 -ATOM 15067 H HG13 . ILE A 1 42 ? 7.033 9.152 5.973 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 10 -ATOM 15068 H HG21 . ILE A 1 42 ? 5.148 8.685 9.173 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 10 -ATOM 15069 H HG22 . ILE A 1 42 ? 6.824 8.872 9.676 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 10 -ATOM 15070 H HG23 . ILE A 1 42 ? 6.078 7.275 9.688 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 10 -ATOM 15071 H HD11 . ILE A 1 42 ? 5.003 10.351 7.851 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 10 -ATOM 15072 H HD12 . ILE A 1 42 ? 4.634 9.477 6.360 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 10 -ATOM 15073 H HD13 . ILE A 1 42 ? 5.526 10.996 6.292 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 10 -ATOM 15074 N N . GLU A 1 43 ? 8.899 5.898 9.443 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 10 -ATOM 15075 C CA . GLU A 1 43 ? 9.113 4.685 10.249 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 10 -ATOM 15076 C C . GLU A 1 43 ? 7.880 4.250 11.035 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 10 -ATOM 15077 O O . GLU A 1 43 ? 7.674 3.063 11.264 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 10 -ATOM 15078 C CB . GLU A 1 43 ? 10.294 4.845 11.199 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 10 -ATOM 15079 C CG . GLU A 1 43 ? 10.165 6.018 12.147 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 10 -ATOM 15080 C CD . GLU A 1 43 ? 11.238 6.055 13.191 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 10 -ATOM 15081 O OE1 . GLU A 1 43 ? 11.199 5.234 14.133 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 10 -ATOM 15082 O OE2 . GLU A 1 43 ? 12.134 6.908 13.098 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 10 -ATOM 15083 H H . GLU A 1 43 ? 9.477 6.675 9.602 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 10 -ATOM 15084 H HA . GLU A 1 43 ? 9.361 3.905 9.547 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 10 -ATOM 15085 H HB2 . GLU A 1 43 ? 10.367 3.943 11.790 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 10 -ATOM 15086 H HB3 . GLU A 1 43 ? 11.195 4.948 10.615 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 10 -ATOM 15087 H HG2 . GLU A 1 43 ? 10.241 6.924 11.564 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 10 -ATOM 15088 H HG3 . GLU A 1 43 ? 9.198 5.981 12.625 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 10 -ATOM 15089 N N . ALA A 1 44 ? 7.044 5.207 11.396 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 10 -ATOM 15090 C CA . ALA A 1 44 ? 5.855 4.937 12.189 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 10 -ATOM 15091 C C . ALA A 1 44 ? 4.827 4.123 11.407 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 10 -ATOM 15092 O O . ALA A 1 44 ? 3.914 3.541 11.982 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 10 -ATOM 15093 C CB . ALA A 1 44 ? 5.245 6.238 12.679 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 10 -ATOM 15094 H H . ALA A 1 44 ? 7.246 6.125 11.116 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 10 -ATOM 15095 H HA . ALA A 1 44 ? 6.164 4.364 13.050 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 10 -ATOM 15096 H HB1 . ALA A 1 44 ? 5.986 6.800 13.228 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 10 -ATOM 15097 H HB2 . ALA A 1 44 ? 4.405 6.022 13.325 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 10 -ATOM 15098 H HB3 . ALA A 1 44 ? 4.908 6.818 11.834 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 10 -ATOM 15099 N N . ASN A 1 45 ? 4.987 4.067 10.101 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 10 -ATOM 15100 C CA . ASN A 1 45 ? 4.047 3.343 9.265 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 10 -ATOM 15101 C C . ASN A 1 45 ? 4.595 2.002 8.839 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 10 -ATOM 15102 O O . ASN A 1 45 ? 3.896 1.235 8.179 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 10 -ATOM 15103 C CB . ASN A 1 45 ? 3.648 4.157 8.018 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 10 -ATOM 15104 C CG . ASN A 1 45 ? 2.786 5.368 8.317 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 10 -ATOM 15105 O OD1 . ASN A 1 45 ? 2.021 5.388 9.282 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 10 -ATOM 15106 N ND2 . ASN A 1 45 ? 2.882 6.379 7.486 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 10 -ATOM 15107 H H . ASN A 1 45 ? 5.764 4.506 9.688 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 10 -ATOM 15108 H HA . ASN A 1 45 ? 3.159 3.171 9.854 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 10 -ATOM 15109 H HB2 . ASN A 1 45 ? 4.545 4.513 7.539 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 10 -ATOM 15110 H HB3 . ASN A 1 45 ? 3.112 3.514 7.334 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 10 -ATOM 15111 H HD21 . ASN A 1 45 ? 3.496 6.303 6.726 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 10 -ATOM 15112 H HD22 . ASN A 1 45 ? 2.324 7.169 7.652 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 10 -ATOM 15113 N N . LYS A 1 46 ? 5.816 1.692 9.236 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 10 -ATOM 15114 C CA . LYS A 1 46 ? 6.454 0.463 8.794 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 10 -ATOM 15115 C C . LYS A 1 46 ? 5.868 -0.747 9.490 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 10 -ATOM 15116 O O . LYS A 1 46 ? 5.449 -0.675 10.653 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 10 -ATOM 15117 C CB . LYS A 1 46 ? 7.984 0.506 8.987 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 10 -ATOM 15118 C CG . LYS A 1 46 ? 8.622 1.689 8.320 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 10 -ATOM 15119 C CD . LYS A 1 46 ? 10.146 1.673 8.346 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 10 -ATOM 15120 C CE . LYS A 1 46 ? 10.726 0.760 7.269 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 10 -ATOM 15121 N NZ . LYS A 1 46 ? 12.198 0.900 7.153 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 10 -ATOM 15122 H H . LYS A 1 46 ? 6.292 2.278 9.865 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 10 -ATOM 15123 H HA . LYS A 1 46 ? 6.249 0.367 7.738 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 10 -ATOM 15124 H HB2 . LYS A 1 46 ? 8.208 0.590 10.042 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 10 -ATOM 15125 H HB3 . LYS A 1 46 ? 8.430 -0.393 8.592 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 10 -ATOM 15126 H HG2 . LYS A 1 46 ? 8.301 1.699 7.287 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 10 -ATOM 15127 H HG3 . LYS A 1 46 ? 8.251 2.581 8.802 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 10 -ATOM 15128 H HD2 . LYS A 1 46 ? 10.509 2.678 8.192 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 10 -ATOM 15129 H HD3 . LYS A 1 46 ? 10.467 1.325 9.317 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 10 -ATOM 15130 H HE2 . LYS A 1 46 ? 10.489 -0.266 7.512 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 10 -ATOM 15131 H HE3 . LYS A 1 46 ? 10.275 1.014 6.321 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 10 -ATOM 15132 H HZ1 . LYS A 1 46 ? 12.526 0.484 6.253 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 10 -ATOM 15133 H HZ2 . LYS A 1 46 ? 12.682 0.399 7.923 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 10 -ATOM 15134 H HZ3 . LYS A 1 46 ? 12.504 1.893 7.176 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 10 -ATOM 15135 N N . LEU A 1 47 ? 5.787 -1.831 8.764 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 10 -ATOM 15136 C CA . LEU A 1 47 ? 5.348 -3.077 9.313 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 10 -ATOM 15137 C C . LEU A 1 47 ? 6.451 -3.643 10.163 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 10 -ATOM 15138 O O . LEU A 1 47 ? 7.626 -3.655 9.754 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 10 -ATOM 15139 C CB . LEU A 1 47 ? 4.967 -4.075 8.222 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 10 -ATOM 15140 C CG . LEU A 1 47 ? 3.748 -3.763 7.370 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 10 -ATOM 15141 C CD1 . LEU A 1 47 ? 3.478 -4.905 6.414 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 10 -ATOM 15142 C CD2 . LEU A 1 47 ? 2.553 -3.527 8.242 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 10 -ATOM 15143 H H . LEU A 1 47 ? 6.054 -1.774 7.817 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 10 -ATOM 15144 H HA . LEU A 1 47 ? 4.489 -2.886 9.939 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 10 -ATOM 15145 H HB2 . LEU A 1 47 ? 5.801 -4.117 7.540 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 10 -ATOM 15146 H HB3 . LEU A 1 47 ? 4.832 -5.046 8.675 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 10 -ATOM 15147 H HG . LEU A 1 47 ? 3.932 -2.870 6.789 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 10 -ATOM 15148 H HD11 . LEU A 1 47 ? 4.324 -5.042 5.757 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 10 -ATOM 15149 H HD12 . LEU A 1 47 ? 2.597 -4.684 5.832 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 10 -ATOM 15150 H HD13 . LEU A 1 47 ? 3.312 -5.811 6.978 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 10 -ATOM 15151 H HD21 . LEU A 1 47 ? 2.725 -2.643 8.834 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 10 -ATOM 15152 H HD22 . LEU A 1 47 ? 2.424 -4.379 8.892 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 10 -ATOM 15153 H HD23 . LEU A 1 47 ? 1.671 -3.399 7.633 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 10 -ATOM 15154 N N . ARG A 1 48 ? 6.093 -4.085 11.331 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 10 -ATOM 15155 C CA . ARG A 1 48 ? 7.044 -4.586 12.281 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 10 -ATOM 15156 C C . ARG A 1 48 ? 7.552 -5.959 11.834 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 10 -ATOM 15157 O O . ARG A 1 48 ? 6.810 -6.945 11.867 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 10 -ATOM 15158 C CB . ARG A 1 48 ? 6.380 -4.671 13.653 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 10 -ATOM 15159 C CG . ARG A 1 48 ? 7.329 -4.572 14.834 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 10 -ATOM 15160 C CD . ARG A 1 48 ? 7.962 -3.188 14.888 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 10 -ATOM 15161 N NE . ARG A 1 48 ? 8.742 -2.982 16.105 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 10 -ATOM 15162 C CZ . ARG A 1 48 ? 9.357 -1.841 16.439 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 10 -ATOM 15163 N NH1 . ARG A 1 48 ? 9.314 -0.788 15.634 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 10 -ATOM 15164 N NH2 . ARG A 1 48 ? 10.004 -1.763 17.582 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 10 -ATOM 15165 H H . ARG A 1 48 ? 5.146 -4.068 11.580 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 10 -ATOM 15166 H HA . ARG A 1 48 ? 7.876 -3.901 12.334 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 10 -ATOM 15167 H HB2 . ARG A 1 48 ? 5.666 -3.865 13.733 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 10 -ATOM 15168 H HB3 . ARG A 1 48 ? 5.846 -5.608 13.718 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 10 -ATOM 15169 H HG2 . ARG A 1 48 ? 6.780 -4.747 15.748 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 10 -ATOM 15170 H HG3 . ARG A 1 48 ? 8.106 -5.314 14.726 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 10 -ATOM 15171 H HD2 . ARG A 1 48 ? 8.625 -3.066 14.045 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 10 -ATOM 15172 H HD3 . ARG A 1 48 ? 7.182 -2.443 14.845 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 10 -ATOM 15173 H HE . ARG A 1 48 ? 8.787 -3.753 16.716 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 10 -ATOM 15174 H HH11 . ARG A 1 48 ? 8.818 -0.813 14.762 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 10 -ATOM 15175 H HH12 . ARG A 1 48 ? 9.783 0.074 15.839 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 10 -ATOM 15176 H HH21 . ARG A 1 48 ? 10.051 -2.541 18.217 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 10 -ATOM 15177 H HH22 . ARG A 1 48 ? 10.486 -0.940 17.895 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 10 -ATOM 15178 N N . GLY A 1 49 ? 8.787 -6.000 11.381 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 10 -ATOM 15179 C CA . GLY A 1 49 ? 9.392 -7.239 10.942 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 10 -ATOM 15180 C C . GLY A 1 49 ? 9.185 -7.500 9.467 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 10 -ATOM 15181 O O . GLY A 1 49 ? 9.072 -8.646 9.046 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 10 -ATOM 15182 H H . GLY A 1 49 ? 9.307 -5.170 11.352 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 10 -ATOM 15183 H HA2 . GLY A 1 49 ? 10.451 -7.202 11.144 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 10 -ATOM 15184 H HA3 . GLY A 1 49 ? 8.953 -8.053 11.501 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 10 -ATOM 15185 N N . MET A 1 50 ? 9.132 -6.445 8.682 1.00 0.00 ? ? ? ? ? ? 47 MET A N 10 -ATOM 15186 C CA . MET A 1 50 ? 8.916 -6.561 7.244 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 10 -ATOM 15187 C C . MET A 1 50 ? 9.897 -5.676 6.494 1.00 0.00 ? ? ? ? ? ? 47 MET A C 10 -ATOM 15188 O O . MET A 1 50 ? 10.207 -4.569 6.960 1.00 0.00 ? ? ? ? ? ? 47 MET A O 10 -ATOM 15189 C CB . MET A 1 50 ? 7.487 -6.164 6.899 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 10 -ATOM 15190 C CG . MET A 1 50 ? 6.436 -7.179 7.327 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 10 -ATOM 15191 S SD . MET A 1 50 ? 6.371 -8.617 6.250 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 10 -ATOM 15192 C CE . MET A 1 50 ? 5.605 -7.904 4.788 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 10 -ATOM 15193 H H . MET A 1 50 ? 9.252 -5.550 9.065 1.00 0.00 ? ? ? ? ? ? 47 MET A H 10 -ATOM 15194 H HA . MET A 1 50 ? 9.066 -7.598 6.987 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 10 -ATOM 15195 H HB2 . MET A 1 50 ? 7.297 -5.232 7.404 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 10 -ATOM 15196 H HB3 . MET A 1 50 ? 7.415 -6.010 5.832 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 10 -ATOM 15197 H HG2 . MET A 1 50 ? 6.654 -7.510 8.331 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 10 -ATOM 15198 H HG3 . MET A 1 50 ? 5.471 -6.694 7.312 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 10 -ATOM 15199 H HE1 . MET A 1 50 ? 6.207 -7.090 4.410 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 10 -ATOM 15200 H HE2 . MET A 1 50 ? 4.623 -7.535 5.050 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 10 -ATOM 15201 H HE3 . MET A 1 50 ? 5.500 -8.660 4.025 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 10 -ATOM 15202 N N . PRO A 1 51 ? 10.408 -6.126 5.332 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 10 -ATOM 15203 C CA . PRO A 1 51 ? 11.380 -5.363 4.545 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 10 -ATOM 15204 C C . PRO A 1 51 ? 10.763 -4.125 3.880 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 10 -ATOM 15205 O O . PRO A 1 51 ? 10.144 -4.218 2.810 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 10 -ATOM 15206 C CB . PRO A 1 51 ? 11.875 -6.358 3.478 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 10 -ATOM 15207 C CG . PRO A 1 51 ? 11.331 -7.686 3.887 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 10 -ATOM 15208 C CD . PRO A 1 51 ? 10.089 -7.407 4.681 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 10 -ATOM 15209 H HA . PRO A 1 51 ? 12.210 -5.048 5.161 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 10 -ATOM 15210 H HB2 . PRO A 1 51 ? 11.502 -6.063 2.509 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 10 -ATOM 15211 H HB3 . PRO A 1 51 ? 12.954 -6.369 3.467 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 10 -ATOM 15212 H HG2 . PRO A 1 51 ? 11.098 -8.272 3.010 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 10 -ATOM 15213 H HG3 . PRO A 1 51 ? 12.056 -8.205 4.498 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 10 -ATOM 15214 H HD2 . PRO A 1 51 ? 9.223 -7.322 4.042 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 10 -ATOM 15215 H HD3 . PRO A 1 51 ? 9.949 -8.191 5.409 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 10 -ATOM 15216 N N . ASP A 1 52 ? 10.873 -2.994 4.581 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 10 -ATOM 15217 C CA . ASP A 1 52 ? 10.405 -1.669 4.129 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 10 -ATOM 15218 C C . ASP A 1 52 ? 8.989 -1.660 3.627 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 10 -ATOM 15219 O O . ASP A 1 52 ? 8.661 -1.006 2.634 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 10 -ATOM 15220 C CB . ASP A 1 52 ? 11.375 -1.003 3.147 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 10 -ATOM 15221 C CG . ASP A 1 52 ? 12.618 -0.521 3.852 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 10 -ATOM 15222 O OD1 . ASP A 1 52 ? 12.593 0.570 4.450 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 10 -ATOM 15223 O OD2 . ASP A 1 52 ? 13.636 -1.238 3.864 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 10 -ATOM 15224 H H . ASP A 1 52 ? 11.302 -3.060 5.462 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 10 -ATOM 15225 H HA . ASP A 1 52 ? 10.383 -1.062 5.023 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 10 -ATOM 15226 H HB2 . ASP A 1 52 ? 11.652 -1.713 2.381 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 10 -ATOM 15227 H HB3 . ASP A 1 52 ? 10.888 -0.156 2.686 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 10 -ATOM 15228 N N . CYS A 1 53 ? 8.143 -2.363 4.331 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 10 -ATOM 15229 C CA . CYS A 1 53 ? 6.752 -2.379 4.020 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 10 -ATOM 15230 C C . CYS A 1 53 ? 6.058 -1.432 4.983 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 10 -ATOM 15231 O O . CYS A 1 53 ? 6.428 -1.364 6.160 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 10 -ATOM 15232 C CB . CYS A 1 53 ? 6.213 -3.794 4.170 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 10 -ATOM 15233 S SG . CYS A 1 53 ? 7.141 -5.033 3.232 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 10 -ATOM 15234 H H . CYS A 1 53 ? 8.474 -2.885 5.090 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 10 -ATOM 15235 H HA . CYS A 1 53 ? 6.613 -2.038 3.006 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 10 -ATOM 15236 H HB2 . CYS A 1 53 ? 6.250 -4.073 5.212 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 10 -ATOM 15237 H HB3 . CYS A 1 53 ? 5.188 -3.821 3.831 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 10 -ATOM 15238 H HG . CYS A 1 53 ? 8.283 -4.479 2.834 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 10 -ATOM 15239 N N . TYR A 1 54 ? 5.090 -0.714 4.501 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 10 -ATOM 15240 C CA . TYR A 1 54 ? 4.396 0.290 5.271 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 10 -ATOM 15241 C C . TYR A 1 54 ? 2.905 0.073 5.140 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 10 -ATOM 15242 O O . TYR A 1 54 ? 2.428 -0.389 4.092 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 10 -ATOM 15243 C CB . TYR A 1 54 ? 4.737 1.709 4.762 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 10 -ATOM 15244 C CG . TYR A 1 54 ? 6.198 2.137 4.847 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 10 -ATOM 15245 C CD1 . TYR A 1 54 ? 7.185 1.530 4.080 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 10 -ATOM 15246 C CD2 . TYR A 1 54 ? 6.579 3.169 5.674 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 10 -ATOM 15247 C CE1 . TYR A 1 54 ? 8.502 1.937 4.150 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 10 -ATOM 15248 C CE2 . TYR A 1 54 ? 7.891 3.579 5.744 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 10 -ATOM 15249 C CZ . TYR A 1 54 ? 8.847 2.961 4.984 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 10 -ATOM 15250 O OH . TYR A 1 54 ? 10.164 3.371 5.068 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 10 -ATOM 15251 H H . TYR A 1 54 ? 4.803 -0.853 3.570 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 10 -ATOM 15252 H HA . TYR A 1 54 ? 4.687 0.208 6.306 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 10 -ATOM 15253 H HB2 . TYR A 1 54 ? 4.443 1.783 3.725 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 10 -ATOM 15254 H HB3 . TYR A 1 54 ? 4.153 2.414 5.336 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 10 -ATOM 15255 H HD1 . TYR A 1 54 ? 6.910 0.716 3.425 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 10 -ATOM 15256 H HD2 . TYR A 1 54 ? 5.832 3.660 6.277 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 10 -ATOM 15257 H HE1 . TYR A 1 54 ? 9.252 1.449 3.543 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 10 -ATOM 15258 H HE2 . TYR A 1 54 ? 8.164 4.389 6.404 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 10 -ATOM 15259 H HH . TYR A 1 54 ? 10.566 3.343 4.189 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 10 -ATOM 15260 N N . LYS A 1 55 ? 2.185 0.367 6.196 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 10 -ATOM 15261 C CA . LYS A 1 55 ? 0.749 0.240 6.217 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 10 -ATOM 15262 C C . LYS A 1 55 ? 0.085 1.604 6.382 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 10 -ATOM 15263 O O . LYS A 1 55 ? 0.568 2.471 7.132 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 10 -ATOM 15264 C CB . LYS A 1 55 ? 0.358 -0.638 7.403 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 10 -ATOM 15265 C CG . LYS A 1 55 ? 0.887 -0.074 8.709 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 10 -ATOM 15266 C CD . LYS A 1 55 ? 0.717 -0.987 9.866 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 10 -ATOM 15267 C CE . LYS A 1 55 ? 1.491 -0.447 11.042 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 10 -ATOM 15268 N NZ . LYS A 1 55 ? 0.803 0.676 11.724 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 10 -ATOM 15269 H H . LYS A 1 55 ? 2.629 0.668 7.025 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 10 -ATOM 15270 H HA . LYS A 1 55 ? 0.412 -0.240 5.311 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 10 -ATOM 15271 H HB2 . LYS A 1 55 ? -0.720 -0.696 7.458 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 10 -ATOM 15272 H HB3 . LYS A 1 55 ? 0.766 -1.627 7.262 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 10 -ATOM 15273 H HG2 . LYS A 1 55 ? 1.939 0.138 8.603 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 10 -ATOM 15274 H HG3 . LYS A 1 55 ? 0.362 0.848 8.907 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 10 -ATOM 15275 H HD2 . LYS A 1 55 ? -0.331 -1.029 10.119 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 10 -ATOM 15276 H HD3 . LYS A 1 55 ? 1.072 -1.976 9.624 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 10 -ATOM 15277 H HE2 . LYS A 1 55 ? 1.705 -1.257 11.711 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 10 -ATOM 15278 H HE3 . LYS A 1 55 ? 2.439 -0.090 10.666 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 10 -ATOM 15279 H HZ1 . LYS A 1 55 ? 0.662 1.504 11.112 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 10 -ATOM 15280 H HZ2 . LYS A 1 55 ? 1.342 0.970 12.565 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 10 -ATOM 15281 H HZ3 . LYS A 1 55 ? -0.127 0.359 12.071 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 10 -ATOM 15282 N N . ILE A 1 56 ? -0.982 1.798 5.685 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 10 -ATOM 15283 C CA . ILE A 1 56 ? -1.824 2.944 5.886 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 10 -ATOM 15284 C C . ILE A 1 56 ? -3.202 2.422 6.182 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 10 -ATOM 15285 O O . ILE A 1 56 ? -3.704 1.561 5.454 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 10 -ATOM 15286 C CB . ILE A 1 56 ? -1.881 3.908 4.655 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 10 -ATOM 15287 C CG1 . ILE A 1 56 ? -0.486 4.489 4.353 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 10 -ATOM 15288 C CG2 . ILE A 1 56 ? -2.892 5.040 4.900 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 10 -ATOM 15289 C CD1 . ILE A 1 56 ? -0.459 5.477 3.199 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 10 -ATOM 15290 H H . ILE A 1 56 ? -1.227 1.140 4.994 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 10 -ATOM 15291 H HA . ILE A 1 56 ? -1.457 3.475 6.753 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 10 -ATOM 15292 H HB . ILE A 1 56 ? -2.218 3.341 3.801 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 10 -ATOM 15293 H HG12 . ILE A 1 56 ? -0.121 5.000 5.231 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 10 -ATOM 15294 H HG13 . ILE A 1 56 ? 0.184 3.675 4.116 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 10 -ATOM 15295 H HG21 . ILE A 1 56 ? -2.935 5.689 4.038 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 10 -ATOM 15296 H HG22 . ILE A 1 56 ? -2.594 5.630 5.755 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 10 -ATOM 15297 H HG23 . ILE A 1 56 ? -3.876 4.631 5.081 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 10 -ATOM 15298 H HD11 . ILE A 1 56 ? -1.074 6.329 3.446 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 10 -ATOM 15299 H HD12 . ILE A 1 56 ? -0.849 5.007 2.308 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 10 -ATOM 15300 H HD13 . ILE A 1 56 ? 0.556 5.803 3.022 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 10 -ATOM 15301 N N . LYS A 1 57 ? -3.781 2.866 7.258 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 10 -ATOM 15302 C CA . LYS A 1 57 ? -5.102 2.447 7.596 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 10 -ATOM 15303 C C . LYS A 1 57 ? -6.088 3.535 7.304 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 10 -ATOM 15304 O O . LYS A 1 57 ? -5.766 4.724 7.404 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 10 -ATOM 15305 C CB . LYS A 1 57 ? -5.206 1.878 9.035 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 10 -ATOM 15306 C CG . LYS A 1 57 ? -4.596 2.724 10.142 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 10 -ATOM 15307 C CD . LYS A 1 57 ? -5.366 3.990 10.433 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 10 -ATOM 15308 C CE . LYS A 1 57 ? -4.622 4.802 11.439 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 10 -ATOM 15309 N NZ . LYS A 1 57 ? -5.316 6.055 11.785 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 10 -ATOM 15310 H H . LYS A 1 57 ? -3.330 3.527 7.827 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 10 -ATOM 15311 H HA . LYS A 1 57 ? -5.321 1.653 6.904 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 10 -ATOM 15312 H HB2 . LYS A 1 57 ? -6.251 1.743 9.272 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 10 -ATOM 15313 H HB3 . LYS A 1 57 ? -4.731 0.909 9.051 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 10 -ATOM 15314 H HG2 . LYS A 1 57 ? -4.569 2.136 11.048 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 10 -ATOM 15315 H HG3 . LYS A 1 57 ? -3.587 2.981 9.856 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 10 -ATOM 15316 H HD2 . LYS A 1 57 ? -5.477 4.555 9.519 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 10 -ATOM 15317 H HD3 . LYS A 1 57 ? -6.338 3.735 10.828 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 10 -ATOM 15318 H HE2 . LYS A 1 57 ? -4.484 4.190 12.316 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 10 -ATOM 15319 H HE3 . LYS A 1 57 ? -3.666 5.017 10.986 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 10 -ATOM 15320 H HZ1 . LYS A 1 57 ? -4.760 6.587 12.485 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 10 -ATOM 15321 H HZ2 . LYS A 1 57 ? -6.248 5.848 12.197 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 10 -ATOM 15322 H HZ3 . LYS A 1 57 ? -5.454 6.650 10.946 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 10 -ATOM 15323 N N . LEU A 1 58 ? -7.241 3.158 6.893 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 10 -ATOM 15324 C CA . LEU A 1 58 ? -8.238 4.110 6.584 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 10 -ATOM 15325 C C . LEU A 1 58 ? -8.976 4.468 7.859 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 10 -ATOM 15326 O O . LEU A 1 58 ? -9.159 3.624 8.736 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 10 -ATOM 15327 C CB . LEU A 1 58 ? -9.201 3.548 5.540 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 10 -ATOM 15328 C CG . LEU A 1 58 ? -10.044 4.574 4.803 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 10 -ATOM 15329 C CD1 . LEU A 1 58 ? -9.155 5.450 3.983 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 10 -ATOM 15330 C CD2 . LEU A 1 58 ? -11.070 3.909 3.926 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 10 -ATOM 15331 H H . LEU A 1 58 ? -7.429 2.198 6.781 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 10 -ATOM 15332 H HA . LEU A 1 58 ? -7.754 4.989 6.186 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 10 -ATOM 15333 H HB2 . LEU A 1 58 ? -8.624 2.998 4.811 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 10 -ATOM 15334 H HB3 . LEU A 1 58 ? -9.868 2.858 6.035 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 10 -ATOM 15335 H HG . LEU A 1 58 ? -10.558 5.233 5.488 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 10 -ATOM 15336 H HD11 . LEU A 1 58 ? -8.534 4.830 3.353 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 10 -ATOM 15337 H HD12 . LEU A 1 58 ? -8.550 6.082 4.615 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 10 -ATOM 15338 H HD13 . LEU A 1 58 ? -9.795 6.049 3.357 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 10 -ATOM 15339 H HD21 . LEU A 1 58 ? -11.717 3.281 4.522 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 10 -ATOM 15340 H HD22 . LEU A 1 58 ? -10.564 3.322 3.175 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 10 -ATOM 15341 H HD23 . LEU A 1 58 ? -11.654 4.681 3.447 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 10 -ATOM 15342 N N . ARG A 1 59 ? -9.346 5.708 7.984 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 10 -ATOM 15343 C CA . ARG A 1 59 ? -10.085 6.162 9.144 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 10 -ATOM 15344 C C . ARG A 1 59 ? -11.574 6.014 8.878 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 10 -ATOM 15345 O O . ARG A 1 59 ? -12.368 5.769 9.781 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 10 -ATOM 15346 C CB . ARG A 1 59 ? -9.746 7.618 9.430 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 10 -ATOM 15347 C CG . ARG A 1 59 ? -10.430 8.192 10.655 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 10 -ATOM 15348 C CD . ARG A 1 59 ? -10.089 9.649 10.804 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 10 -ATOM 15349 N NE . ARG A 1 59 ? -10.728 10.262 11.967 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 10 -ATOM 15350 C CZ . ARG A 1 59 ? -10.598 11.545 12.294 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 10 -ATOM 15351 N NH1 . ARG A 1 59 ? -9.906 12.357 11.505 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 10 -ATOM 15352 N NH2 . ARG A 1 59 ? -11.183 12.022 13.386 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 10 -ATOM 15353 H H . ARG A 1 59 ? -9.095 6.349 7.288 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 10 -ATOM 15354 H HA . ARG A 1 59 ? -9.807 5.555 9.992 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 10 -ATOM 15355 H HB2 . ARG A 1 59 ? -8.679 7.704 9.571 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 10 -ATOM 15356 H HB3 . ARG A 1 59 ? -10.033 8.212 8.575 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 10 -ATOM 15357 H HG2 . ARG A 1 59 ? -11.498 8.084 10.549 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 10 -ATOM 15358 H HG3 . ARG A 1 59 ? -10.093 7.658 11.530 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 10 -ATOM 15359 H HD2 . ARG A 1 59 ? -9.018 9.751 10.904 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 10 -ATOM 15360 H HD3 . ARG A 1 59 ? -10.418 10.165 9.916 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 10 -ATOM 15361 H HE . ARG A 1 59 ? -11.266 9.652 12.522 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 10 -ATOM 15362 H HH11 . ARG A 1 59 ? -9.472 12.035 10.658 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 10 -ATOM 15363 H HH12 . ARG A 1 59 ? -9.794 13.331 11.724 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 10 -ATOM 15364 H HH21 . ARG A 1 59 ? -11.742 11.453 13.998 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 10 -ATOM 15365 H HH22 . ARG A 1 59 ? -11.073 12.981 13.662 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 10 -ATOM 15366 N N . SER A 1 60 ? -11.928 6.139 7.620 1.00 0.00 ? ? ? ? ? ? 57 SER A N 10 -ATOM 15367 C CA . SER A 1 60 ? -13.294 6.062 7.167 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 10 -ATOM 15368 C C . SER A 1 60 ? -13.877 4.642 7.392 1.00 0.00 ? ? ? ? ? ? 57 SER A C 10 -ATOM 15369 O O . SER A 1 60 ? -15.073 4.479 7.639 1.00 0.00 ? ? ? ? ? ? 57 SER A O 10 -ATOM 15370 C CB . SER A 1 60 ? -13.290 6.411 5.688 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 10 -ATOM 15371 O OG . SER A 1 60 ? -12.356 7.471 5.446 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 10 -ATOM 15372 H H . SER A 1 60 ? -11.260 6.331 6.930 1.00 0.00 ? ? ? ? ? ? 57 SER A H 10 -ATOM 15373 H HA . SER A 1 60 ? -13.884 6.795 7.695 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 10 -ATOM 15374 H HB2 . SER A 1 60 ? -12.996 5.542 5.119 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 10 -ATOM 15375 H HB3 . SER A 1 60 ? -14.273 6.732 5.379 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 10 -ATOM 15376 H HG . SER A 1 60 ? -12.754 8.330 5.644 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 10 -ATOM 15377 N N . SER A 1 61 ? -13.012 3.642 7.346 1.00 0.00 ? ? ? ? ? ? 58 SER A N 10 -ATOM 15378 C CA . SER A 1 61 ? -13.392 2.261 7.494 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 10 -ATOM 15379 C C . SER A 1 61 ? -12.107 1.485 7.780 1.00 0.00 ? ? ? ? ? ? 58 SER A C 10 -ATOM 15380 O O . SER A 1 61 ? -11.037 1.967 7.440 1.00 0.00 ? ? ? ? ? ? 58 SER A O 10 -ATOM 15381 C CB . SER A 1 61 ? -14.064 1.786 6.193 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 10 -ATOM 15382 O OG . SER A 1 61 ? -14.601 0.476 6.297 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 10 -ATOM 15383 H H . SER A 1 61 ? -12.052 3.811 7.232 1.00 0.00 ? ? ? ? ? ? 58 SER A H 10 -ATOM 15384 H HA . SER A 1 61 ? -14.075 2.170 8.326 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 10 -ATOM 15385 H HB2 . SER A 1 61 ? -14.869 2.461 5.947 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 10 -ATOM 15386 H HB3 . SER A 1 61 ? -13.338 1.802 5.393 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 10 -ATOM 15387 H HG . SER A 1 61 ? -15.118 0.377 7.105 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 10 -ATOM 15388 N N . GLY A 1 62 ? -12.207 0.303 8.369 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 10 -ATOM 15389 C CA . GLY A 1 62 ? -11.026 -0.450 8.800 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 10 -ATOM 15390 C C . GLY A 1 62 ? -10.267 -1.160 7.685 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 10 -ATOM 15391 O O . GLY A 1 62 ? -9.942 -2.352 7.797 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 10 -ATOM 15392 H H . GLY A 1 62 ? -13.090 -0.096 8.521 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 10 -ATOM 15393 H HA2 . GLY A 1 62 ? -10.345 0.234 9.284 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 10 -ATOM 15394 H HA3 . GLY A 1 62 ? -11.337 -1.185 9.527 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 10 -ATOM 15395 N N . TYR A 1 63 ? -9.952 -0.446 6.649 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 10 -ATOM 15396 C CA . TYR A 1 63 ? -9.190 -0.982 5.552 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 10 -ATOM 15397 C C . TYR A 1 63 ? -7.748 -0.579 5.698 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 10 -ATOM 15398 O O . TYR A 1 63 ? -7.450 0.510 6.183 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 10 -ATOM 15399 C CB . TYR A 1 63 ? -9.740 -0.514 4.207 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 10 -ATOM 15400 C CG . TYR A 1 63 ? -11.004 -1.219 3.759 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 10 -ATOM 15401 C CD1 . TYR A 1 63 ? -12.232 -0.973 4.358 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 10 -ATOM 15402 C CD2 . TYR A 1 63 ? -10.958 -2.131 2.718 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 10 -ATOM 15403 C CE1 . TYR A 1 63 ? -13.376 -1.622 3.927 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 10 -ATOM 15404 C CE2 . TYR A 1 63 ? -12.090 -2.778 2.280 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 10 -ATOM 15405 C CZ . TYR A 1 63 ? -13.296 -2.523 2.885 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 10 -ATOM 15406 O OH . TYR A 1 63 ? -14.434 -3.166 2.441 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 10 -ATOM 15407 H H . TYR A 1 63 ? -10.210 0.503 6.642 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 10 -ATOM 15408 H HA . TYR A 1 63 ? -9.258 -2.059 5.605 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 10 -ATOM 15409 H HB2 . TYR A 1 63 ? -9.963 0.541 4.271 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 10 -ATOM 15410 H HB3 . TYR A 1 63 ? -8.987 -0.666 3.449 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 10 -ATOM 15411 H HD1 . TYR A 1 63 ? -12.288 -0.266 5.173 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 10 -ATOM 15412 H HD2 . TYR A 1 63 ? -10.009 -2.329 2.245 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 10 -ATOM 15413 H HE1 . TYR A 1 63 ? -14.324 -1.419 4.404 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 10 -ATOM 15414 H HE2 . TYR A 1 63 ? -12.027 -3.483 1.466 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 10 -ATOM 15415 H HH . TYR A 1 63 ? -14.212 -4.103 2.317 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 10 -ATOM 15416 N N . ARG A 1 64 ? -6.870 -1.461 5.332 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 10 -ATOM 15417 C CA . ARG A 1 64 ? -5.453 -1.228 5.395 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 10 -ATOM 15418 C C . ARG A 1 64 ? -4.859 -1.418 4.028 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 10 -ATOM 15419 O O . ARG A 1 64 ? -5.296 -2.287 3.260 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 10 -ATOM 15420 C CB . ARG A 1 64 ? -4.735 -2.176 6.386 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 10 -ATOM 15421 C CG . ARG A 1 64 ? -4.883 -1.861 7.882 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 10 -ATOM 15422 C CD . ARG A 1 64 ? -6.305 -2.010 8.405 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 10 -ATOM 15423 N NE . ARG A 1 64 ? -6.360 -1.803 9.853 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 10 -ATOM 15424 C CZ . ARG A 1 64 ? -7.350 -2.196 10.665 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 10 -ATOM 15425 N NH1 . ARG A 1 64 ? -8.490 -2.683 10.168 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 10 -ATOM 15426 N NH2 . ARG A 1 64 ? -7.215 -2.041 11.969 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 10 -ATOM 15427 H H . ARG A 1 64 ? -7.164 -2.318 4.949 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 10 -ATOM 15428 H HA . ARG A 1 64 ? -5.294 -0.207 5.708 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 10 -ATOM 15429 H HB2 . ARG A 1 64 ? -5.111 -3.175 6.229 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 10 -ATOM 15430 H HB3 . ARG A 1 64 ? -3.682 -2.173 6.146 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 10 -ATOM 15431 H HG2 . ARG A 1 64 ? -4.248 -2.534 8.439 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 10 -ATOM 15432 H HG3 . ARG A 1 64 ? -4.547 -0.850 8.048 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 10 -ATOM 15433 H HD2 . ARG A 1 64 ? -6.931 -1.276 7.920 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 10 -ATOM 15434 H HD3 . ARG A 1 64 ? -6.669 -3.001 8.176 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 10 -ATOM 15435 H HE . ARG A 1 64 ? -5.561 -1.365 10.233 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 10 -ATOM 15436 H HH11 . ARG A 1 64 ? -8.671 -2.769 9.185 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 10 -ATOM 15437 H HH12 . ARG A 1 64 ? -9.231 -3.005 10.767 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 10 -ATOM 15438 H HH21 . ARG A 1 64 ? -6.391 -1.632 12.364 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 10 -ATOM 15439 H HH22 . ARG A 1 64 ? -7.919 -2.319 12.632 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 10 -ATOM 15440 N N . LEU A 1 65 ? -3.913 -0.613 3.715 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 10 -ATOM 15441 C CA . LEU A 1 65 ? -3.211 -0.716 2.483 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 10 -ATOM 15442 C C . LEU A 1 65 ? -1.743 -0.932 2.822 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 10 -ATOM 15443 O O . LEU A 1 65 ? -1.170 -0.180 3.621 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 10 -ATOM 15444 C CB . LEU A 1 65 ? -3.468 0.558 1.640 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 10 -ATOM 15445 C CG . LEU A 1 65 ? -2.955 0.584 0.189 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 10 -ATOM 15446 C CD1 . LEU A 1 65 ? -3.638 1.696 -0.577 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 10 -ATOM 15447 C CD2 . LEU A 1 65 ? -1.466 0.816 0.142 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 10 -ATOM 15448 H H . LEU A 1 65 ? -3.667 0.106 4.342 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 10 -ATOM 15449 H HA . LEU A 1 65 ? -3.585 -1.583 1.960 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 10 -ATOM 15450 H HB2 . LEU A 1 65 ? -4.536 0.718 1.610 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 10 -ATOM 15451 H HB3 . LEU A 1 65 ? -3.024 1.390 2.168 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 10 -ATOM 15452 H HG . LEU A 1 65 ? -3.176 -0.357 -0.294 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 10 -ATOM 15453 H HD11 . LEU A 1 65 ? -3.437 2.641 -0.094 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 10 -ATOM 15454 H HD12 . LEU A 1 65 ? -4.702 1.516 -0.608 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 10 -ATOM 15455 H HD13 . LEU A 1 65 ? -3.243 1.712 -1.582 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 10 -ATOM 15456 H HD21 . LEU A 1 65 ? -1.258 1.756 0.629 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 10 -ATOM 15457 H HD22 . LEU A 1 65 ? -1.138 0.854 -0.887 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 10 -ATOM 15458 H HD23 . LEU A 1 65 ? -0.958 0.018 0.662 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 10 -ATOM 15459 N N . VAL A 1 66 ? -1.164 -1.972 2.261 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 10 -ATOM 15460 C CA . VAL A 1 66 ? 0.204 -2.349 2.541 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 10 -ATOM 15461 C C . VAL A 1 66 ? 1.045 -2.236 1.273 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 10 -ATOM 15462 O O . VAL A 1 66 ? 0.734 -2.854 0.234 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 10 -ATOM 15463 C CB . VAL A 1 66 ? 0.290 -3.802 3.097 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 10 -ATOM 15464 C CG1 . VAL A 1 66 ? 1.731 -4.194 3.387 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 10 -ATOM 15465 C CG2 . VAL A 1 66 ? -0.556 -3.956 4.354 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 10 -ATOM 15466 H H . VAL A 1 66 ? -1.659 -2.509 1.602 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 10 -ATOM 15467 H HA . VAL A 1 66 ? 0.590 -1.669 3.285 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 10 -ATOM 15468 H HB . VAL A 1 66 ? -0.095 -4.473 2.342 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 10 -ATOM 15469 H HG11 . VAL A 1 66 ? 1.751 -5.200 3.781 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 10 -ATOM 15470 H HG12 . VAL A 1 66 ? 2.142 -3.514 4.119 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 10 -ATOM 15471 H HG13 . VAL A 1 66 ? 2.314 -4.146 2.480 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 10 -ATOM 15472 H HG21 . VAL A 1 66 ? -0.204 -3.270 5.110 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 10 -ATOM 15473 H HG22 . VAL A 1 66 ? -0.474 -4.968 4.722 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 10 -ATOM 15474 H HG23 . VAL A 1 66 ? -1.588 -3.737 4.124 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 10 -ATOM 15475 N N . TYR A 1 67 ? 2.089 -1.462 1.352 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 10 -ATOM 15476 C CA . TYR A 1 67 ? 2.970 -1.236 0.233 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 10 -ATOM 15477 C C . TYR A 1 67 ? 4.410 -1.317 0.679 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 10 -ATOM 15478 O O . TYR A 1 67 ? 4.686 -1.193 1.858 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 10 -ATOM 15479 C CB . TYR A 1 67 ? 2.681 0.129 -0.436 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 10 -ATOM 15480 C CG . TYR A 1 67 ? 2.778 1.354 0.462 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 10 -ATOM 15481 C CD1 . TYR A 1 67 ? 3.994 1.815 0.956 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 10 -ATOM 15482 C CD2 . TYR A 1 67 ? 1.649 2.066 0.778 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 10 -ATOM 15483 C CE1 . TYR A 1 67 ? 4.059 2.940 1.739 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 10 -ATOM 15484 C CE2 . TYR A 1 67 ? 1.703 3.186 1.557 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 10 -ATOM 15485 C CZ . TYR A 1 67 ? 2.912 3.622 2.039 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 10 -ATOM 15486 O OH . TYR A 1 67 ? 2.969 4.738 2.831 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 10 -ATOM 15487 H H . TYR A 1 67 ? 2.299 -1.029 2.213 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 10 -ATOM 15488 H HA . TYR A 1 67 ? 2.788 -2.019 -0.487 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 10 -ATOM 15489 H HB2 . TYR A 1 67 ? 3.344 0.282 -1.273 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 10 -ATOM 15490 H HB3 . TYR A 1 67 ? 1.669 0.095 -0.814 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 10 -ATOM 15491 H HD1 . TYR A 1 67 ? 4.896 1.268 0.721 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 10 -ATOM 15492 H HD2 . TYR A 1 67 ? 0.701 1.720 0.397 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 10 -ATOM 15493 H HE1 . TYR A 1 67 ? 5.011 3.284 2.113 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 10 -ATOM 15494 H HE2 . TYR A 1 67 ? 0.789 3.716 1.780 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 10 -ATOM 15495 H HH . TYR A 1 67 ? 2.268 4.682 3.485 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 10 -ATOM 15496 N N . GLN A 1 68 ? 5.303 -1.554 -0.232 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 10 -ATOM 15497 C CA . GLN A 1 68 ? 6.703 -1.543 0.095 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 10 -ATOM 15498 C C . GLN A 1 68 ? 7.355 -0.356 -0.591 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 10 -ATOM 15499 O O . GLN A 1 68 ? 7.011 -0.020 -1.737 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 10 -ATOM 15500 C CB . GLN A 1 68 ? 7.400 -2.862 -0.284 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 10 -ATOM 15501 C CG . GLN A 1 68 ? 7.493 -3.138 -1.777 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 10 -ATOM 15502 C CD . GLN A 1 68 ? 8.173 -4.451 -2.076 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 10 -ATOM 15503 O OE1 . GLN A 1 68 ? 7.531 -5.481 -2.214 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 10 -ATOM 15504 N NE2 . GLN A 1 68 ? 9.483 -4.438 -2.120 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 10 -ATOM 15505 H H . GLN A 1 68 ? 5.020 -1.724 -1.160 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 10 -ATOM 15506 H HA . GLN A 1 68 ? 6.780 -1.386 1.161 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 10 -ATOM 15507 H HB2 . GLN A 1 68 ? 8.405 -2.838 0.112 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 10 -ATOM 15508 H HB3 . GLN A 1 68 ? 6.866 -3.675 0.183 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 10 -ATOM 15509 H HG2 . GLN A 1 68 ? 6.494 -3.165 -2.187 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 10 -ATOM 15510 H HG3 . GLN A 1 68 ? 8.052 -2.341 -2.245 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 10 -ATOM 15511 H HE21 . GLN A 1 68 ? 9.977 -3.605 -1.958 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 10 -ATOM 15512 H HE22 . GLN A 1 68 ? 9.929 -5.292 -2.302 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 10 -ATOM 15513 N N . VAL A 1 69 ? 8.241 0.300 0.098 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 10 -ATOM 15514 C CA . VAL A 1 69 ? 8.911 1.441 -0.467 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 10 -ATOM 15515 C C . VAL A 1 69 ? 10.260 1.034 -1.007 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 10 -ATOM 15516 O O . VAL A 1 69 ? 11.167 0.640 -0.260 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 10 -ATOM 15517 C CB . VAL A 1 69 ? 9.057 2.608 0.556 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 10 -ATOM 15518 C CG1 . VAL A 1 69 ? 9.884 3.754 -0.020 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 10 -ATOM 15519 C CG2 . VAL A 1 69 ? 7.686 3.124 0.959 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 10 -ATOM 15520 H H . VAL A 1 69 ? 8.470 -0.003 1.005 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 10 -ATOM 15521 H HA . VAL A 1 69 ? 8.307 1.782 -1.295 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 10 -ATOM 15522 H HB . VAL A 1 69 ? 9.551 2.236 1.440 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 10 -ATOM 15523 H HG11 . VAL A 1 69 ? 10.868 3.387 -0.276 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 10 -ATOM 15524 H HG12 . VAL A 1 69 ? 9.977 4.534 0.722 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 10 -ATOM 15525 H HG13 . VAL A 1 69 ? 9.400 4.144 -0.902 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 10 -ATOM 15526 H HG21 . VAL A 1 69 ? 7.167 3.494 0.088 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 10 -ATOM 15527 H HG22 . VAL A 1 69 ? 7.799 3.918 1.682 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 10 -ATOM 15528 H HG23 . VAL A 1 69 ? 7.116 2.318 1.398 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 10 -ATOM 15529 N N . ILE A 1 70 ? 10.382 1.077 -2.298 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 10 -ATOM 15530 C CA . ILE A 1 70 ? 11.618 0.781 -2.923 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 10 -ATOM 15531 C C . ILE A 1 70 ? 12.272 2.107 -3.266 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 10 -ATOM 15532 O O . ILE A 1 70 ? 11.990 2.705 -4.304 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 10 -ATOM 15533 C CB . ILE A 1 70 ? 11.416 -0.058 -4.211 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 10 -ATOM 15534 C CG1 . ILE A 1 70 ? 10.506 -1.263 -3.922 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 10 -ATOM 15535 C CG2 . ILE A 1 70 ? 12.767 -0.539 -4.732 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 10 -ATOM 15536 C CD1 . ILE A 1 70 ? 10.146 -2.075 -5.148 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 10 -ATOM 15537 H H . ILE A 1 70 ? 9.622 1.344 -2.863 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 10 -ATOM 15538 H HA . ILE A 1 70 ? 12.239 0.238 -2.229 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 10 -ATOM 15539 H HB . ILE A 1 70 ? 10.954 0.563 -4.965 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 10 -ATOM 15540 H HG12 . ILE A 1 70 ? 11.005 -1.922 -3.228 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 10 -ATOM 15541 H HG13 . ILE A 1 70 ? 9.589 -0.908 -3.476 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 10 -ATOM 15542 H HG21 . ILE A 1 70 ? 13.392 0.309 -4.964 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 10 -ATOM 15543 H HG22 . ILE A 1 70 ? 12.622 -1.135 -5.621 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 10 -ATOM 15544 H HG23 . ILE A 1 70 ? 13.248 -1.138 -3.974 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 10 -ATOM 15545 H HD11 . ILE A 1 70 ? 11.048 -2.460 -5.601 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 10 -ATOM 15546 H HD12 . ILE A 1 70 ? 9.628 -1.445 -5.857 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 10 -ATOM 15547 H HD13 . ILE A 1 70 ? 9.507 -2.897 -4.861 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 10 -ATOM 15548 N N . ASP A 1 71 ? 13.128 2.566 -2.395 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 10 -ATOM 15549 C CA . ASP A 1 71 ? 13.799 3.854 -2.564 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 10 -ATOM 15550 C C . ASP A 1 71 ? 14.829 3.752 -3.659 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 10 -ATOM 15551 O O . ASP A 1 71 ? 15.091 4.716 -4.393 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 10 -ATOM 15552 C CB . ASP A 1 71 ? 14.454 4.303 -1.260 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 10 -ATOM 15553 C CG . ASP A 1 71 ? 15.198 5.607 -1.411 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 10 -ATOM 15554 O OD1 . ASP A 1 71 ? 14.577 6.685 -1.299 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 10 -ATOM 15555 O OD2 . ASP A 1 71 ? 16.420 5.588 -1.647 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 10 -ATOM 15556 H H . ASP A 1 71 ? 13.355 2.012 -1.617 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 10 -ATOM 15557 H HA . ASP A 1 71 ? 13.056 4.579 -2.856 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 10 -ATOM 15558 H HB2 . ASP A 1 71 ? 13.694 4.430 -0.504 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 10 -ATOM 15559 H HB3 . ASP A 1 71 ? 15.151 3.546 -0.935 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 10 -ATOM 15560 N N . GLU A 1 72 ? 15.356 2.552 -3.790 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 10 -ATOM 15561 C CA . GLU A 1 72 ? 16.343 2.193 -4.788 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 10 -ATOM 15562 C C . GLU A 1 72 ? 15.806 2.498 -6.187 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 10 -ATOM 15563 O O . GLU A 1 72 ? 16.531 2.984 -7.060 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 10 -ATOM 15564 C CB . GLU A 1 72 ? 16.671 0.682 -4.717 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 10 -ATOM 15565 C CG . GLU A 1 72 ? 16.992 0.114 -3.324 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 10 -ATOM 15566 C CD . GLU A 1 72 ? 15.754 -0.203 -2.488 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 10 -ATOM 15567 O OE1 . GLU A 1 72 ? 15.177 0.708 -1.872 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 10 -ATOM 15568 O OE2 . GLU A 1 72 ? 15.336 -1.365 -2.439 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 10 -ATOM 15569 H H . GLU A 1 72 ? 15.090 1.874 -3.124 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 10 -ATOM 15570 H HA . GLU A 1 72 ? 17.245 2.755 -4.604 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 10 -ATOM 15571 H HB2 . GLU A 1 72 ? 15.821 0.136 -5.100 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 10 -ATOM 15572 H HB3 . GLU A 1 72 ? 17.513 0.496 -5.364 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 10 -ATOM 15573 H HG2 . GLU A 1 72 ? 17.558 -0.798 -3.446 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 10 -ATOM 15574 H HG3 . GLU A 1 72 ? 17.594 0.836 -2.793 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 10 -ATOM 15575 N N . LYS A 1 73 ? 14.530 2.209 -6.381 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 10 -ATOM 15576 C CA . LYS A 1 73 ? 13.865 2.420 -7.657 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 10 -ATOM 15577 C C . LYS A 1 73 ? 12.897 3.601 -7.568 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 10 -ATOM 15578 O O . LYS A 1 73 ? 12.151 3.861 -8.507 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 10 -ATOM 15579 C CB . LYS A 1 73 ? 13.107 1.160 -8.080 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 10 -ATOM 15580 C CG . LYS A 1 73 ? 13.963 -0.090 -8.218 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 10 -ATOM 15581 C CD . LYS A 1 73 ? 13.106 -1.279 -8.616 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 10 -ATOM 15582 C CE . LYS A 1 73 ? 13.908 -2.566 -8.675 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 10 -ATOM 15583 N NZ . LYS A 1 73 ? 13.079 -3.713 -9.103 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 10 -ATOM 15584 H H . LYS A 1 73 ? 14.013 1.861 -5.625 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 10 -ATOM 15585 H HA . LYS A 1 73 ? 14.617 2.643 -8.398 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 10 -ATOM 15586 H HB2 . LYS A 1 73 ? 12.359 0.954 -7.330 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 10 -ATOM 15587 H HB3 . LYS A 1 73 ? 12.618 1.347 -9.025 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 10 -ATOM 15588 H HG2 . LYS A 1 73 ? 14.715 0.077 -8.974 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 10 -ATOM 15589 H HG3 . LYS A 1 73 ? 14.438 -0.298 -7.270 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 10 -ATOM 15590 H HD2 . LYS A 1 73 ? 12.314 -1.398 -7.891 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 10 -ATOM 15591 H HD3 . LYS A 1 73 ? 12.677 -1.083 -9.587 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 10 -ATOM 15592 H HE2 . LYS A 1 73 ? 14.716 -2.443 -9.379 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 10 -ATOM 15593 H HE3 . LYS A 1 73 ? 14.311 -2.767 -7.696 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 10 -ATOM 15594 H HZ1 . LYS A 1 73 ? 13.622 -4.599 -9.064 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 10 -ATOM 15595 H HZ2 . LYS A 1 73 ? 12.765 -3.581 -10.086 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 10 -ATOM 15596 H HZ3 . LYS A 1 73 ? 12.232 -3.830 -8.511 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 10 -ATOM 15597 N N . VAL A 1 74 ? 12.899 4.268 -6.402 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 10 -ATOM 15598 C CA . VAL A 1 74 ? 12.064 5.452 -6.080 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 10 -ATOM 15599 C C . VAL A 1 74 ? 10.563 5.198 -6.375 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 10 -ATOM 15600 O O . VAL A 1 74 ? 9.815 6.069 -6.825 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 10 -ATOM 15601 C CB . VAL A 1 74 ? 12.621 6.810 -6.705 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 10 -ATOM 15602 C CG1 . VAL A 1 74 ? 12.509 6.899 -8.220 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 10 -ATOM 15603 C CG2 . VAL A 1 74 ? 12.019 8.041 -6.034 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 10 -ATOM 15604 H H . VAL A 1 74 ? 13.478 3.929 -5.689 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 10 -ATOM 15605 H HA . VAL A 1 74 ? 12.120 5.518 -5.001 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 10 -ATOM 15606 H HB . VAL A 1 74 ? 13.680 6.816 -6.490 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 10 -ATOM 15607 H HG11 . VAL A 1 74 ? 13.068 6.094 -8.672 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 10 -ATOM 15608 H HG12 . VAL A 1 74 ? 12.903 7.847 -8.556 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 10 -ATOM 15609 H HG13 . VAL A 1 74 ? 11.470 6.821 -8.508 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 10 -ATOM 15610 H HG21 . VAL A 1 74 ? 10.947 8.017 -6.160 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 10 -ATOM 15611 H HG22 . VAL A 1 74 ? 12.417 8.932 -6.495 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 10 -ATOM 15612 H HG23 . VAL A 1 74 ? 12.258 8.038 -4.981 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 10 -ATOM 15613 N N . VAL A 1 75 ? 10.121 4.011 -6.035 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 10 -ATOM 15614 C CA . VAL A 1 75 ? 8.760 3.613 -6.276 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 10 -ATOM 15615 C C . VAL A 1 75 ? 8.157 2.966 -5.031 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 10 -ATOM 15616 O O . VAL A 1 75 ? 8.825 2.228 -4.296 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 10 -ATOM 15617 C CB . VAL A 1 75 ? 8.634 2.660 -7.525 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 10 -ATOM 15618 C CG1 . VAL A 1 75 ? 9.457 1.396 -7.356 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 10 -ATOM 15619 C CG2 . VAL A 1 75 ? 7.176 2.310 -7.832 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 10 -ATOM 15620 H H . VAL A 1 75 ? 10.724 3.389 -5.573 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 10 -ATOM 15621 H HA . VAL A 1 75 ? 8.204 4.516 -6.479 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 10 -ATOM 15622 H HB . VAL A 1 75 ? 9.039 3.192 -8.376 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 10 -ATOM 15623 H HG11 . VAL A 1 75 ? 10.490 1.673 -7.218 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 10 -ATOM 15624 H HG12 . VAL A 1 75 ? 9.356 0.783 -8.239 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 10 -ATOM 15625 H HG13 . VAL A 1 75 ? 9.109 0.852 -6.489 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 10 -ATOM 15626 H HG21 . VAL A 1 75 ? 7.129 1.660 -8.693 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 10 -ATOM 15627 H HG22 . VAL A 1 75 ? 6.616 3.211 -8.031 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 10 -ATOM 15628 H HG23 . VAL A 1 75 ? 6.744 1.807 -6.979 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 10 -ATOM 15629 N N . VAL A 1 76 ? 6.940 3.304 -4.780 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 10 -ATOM 15630 C CA . VAL A 1 76 ? 6.159 2.757 -3.728 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 10 -ATOM 15631 C C . VAL A 1 76 ? 5.242 1.720 -4.369 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 10 -ATOM 15632 O O . VAL A 1 76 ? 4.396 2.055 -5.210 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 10 -ATOM 15633 C CB . VAL A 1 76 ? 5.326 3.875 -3.052 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 10 -ATOM 15634 C CG1 . VAL A 1 76 ? 4.456 3.322 -1.960 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 10 -ATOM 15635 C CG2 . VAL A 1 76 ? 6.235 4.963 -2.501 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 10 -ATOM 15636 H H . VAL A 1 76 ? 6.505 3.973 -5.353 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 10 -ATOM 15637 H HA . VAL A 1 76 ? 6.810 2.290 -3.004 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 10 -ATOM 15638 H HB . VAL A 1 76 ? 4.692 4.321 -3.804 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 10 -ATOM 15639 H HG11 . VAL A 1 76 ? 5.076 2.860 -1.206 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 10 -ATOM 15640 H HG12 . VAL A 1 76 ? 3.785 2.584 -2.375 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 10 -ATOM 15641 H HG13 . VAL A 1 76 ? 3.884 4.122 -1.512 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 10 -ATOM 15642 H HG21 . VAL A 1 76 ? 6.798 5.403 -3.311 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 10 -ATOM 15643 H HG22 . VAL A 1 76 ? 6.916 4.535 -1.781 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 10 -ATOM 15644 H HG23 . VAL A 1 76 ? 5.638 5.726 -2.022 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 10 -ATOM 15645 N N . PHE A 1 77 ? 5.431 0.488 -4.009 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 10 -ATOM 15646 C CA . PHE A 1 77 ? 4.732 -0.604 -4.643 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 10 -ATOM 15647 C C . PHE A 1 77 ? 3.696 -1.197 -3.701 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 10 -ATOM 15648 O O . PHE A 1 77 ? 4.047 -1.777 -2.672 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 10 -ATOM 15649 C CB . PHE A 1 77 ? 5.759 -1.664 -5.078 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 10 -ATOM 15650 C CG . PHE A 1 77 ? 5.192 -2.848 -5.811 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 10 -ATOM 15651 C CD1 . PHE A 1 77 ? 4.804 -2.737 -7.134 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 10 -ATOM 15652 C CD2 . PHE A 1 77 ? 5.064 -4.077 -5.179 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 10 -ATOM 15653 C CE1 . PHE A 1 77 ? 4.298 -3.824 -7.815 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 10 -ATOM 15654 C CE2 . PHE A 1 77 ? 4.560 -5.167 -5.854 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 10 -ATOM 15655 C CZ . PHE A 1 77 ? 4.177 -5.040 -7.174 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 10 -ATOM 15656 H H . PHE A 1 77 ? 6.055 0.291 -3.274 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 10 -ATOM 15657 H HA . PHE A 1 77 ? 4.235 -0.227 -5.524 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 10 -ATOM 15658 H HB2 . PHE A 1 77 ? 6.480 -1.198 -5.733 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 10 -ATOM 15659 H HB3 . PHE A 1 77 ? 6.275 -2.028 -4.202 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 10 -ATOM 15660 H HD1 . PHE A 1 77 ? 4.899 -1.786 -7.636 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 10 -ATOM 15661 H HD2 . PHE A 1 77 ? 5.364 -4.174 -4.146 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 10 -ATOM 15662 H HE1 . PHE A 1 77 ? 3.997 -3.724 -8.846 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 10 -ATOM 15663 H HE2 . PHE A 1 77 ? 4.466 -6.119 -5.354 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 10 -ATOM 15664 H HZ . PHE A 1 77 ? 3.782 -5.893 -7.705 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 10 -ATOM 15665 N N . VAL A 1 78 ? 2.434 -1.032 -4.043 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 10 -ATOM 15666 C CA . VAL A 1 78 ? 1.341 -1.553 -3.247 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 10 -ATOM 15667 C C . VAL A 1 78 ? 1.240 -3.048 -3.458 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 10 -ATOM 15668 O O . VAL A 1 78 ? 1.052 -3.513 -4.589 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 10 -ATOM 15669 C CB . VAL A 1 78 ? -0.010 -0.873 -3.605 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 10 -ATOM 15670 C CG1 . VAL A 1 78 ? -1.156 -1.419 -2.750 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 10 -ATOM 15671 C CG2 . VAL A 1 78 ? 0.098 0.640 -3.453 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 10 -ATOM 15672 H H . VAL A 1 78 ? 2.240 -0.550 -4.879 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 10 -ATOM 15673 H HA . VAL A 1 78 ? 1.567 -1.369 -2.207 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 10 -ATOM 15674 H HB . VAL A 1 78 ? -0.235 -1.093 -4.639 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 10 -ATOM 15675 H HG11 . VAL A 1 78 ? -2.079 -0.922 -3.011 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 10 -ATOM 15676 H HG12 . VAL A 1 78 ? -0.943 -1.252 -1.704 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 10 -ATOM 15677 H HG13 . VAL A 1 78 ? -1.260 -2.481 -2.921 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 10 -ATOM 15678 H HG21 . VAL A 1 78 ? 0.857 1.012 -4.126 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 10 -ATOM 15679 H HG22 . VAL A 1 78 ? 0.371 0.884 -2.437 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 10 -ATOM 15680 H HG23 . VAL A 1 78 ? -0.852 1.097 -3.692 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 10 -ATOM 15681 N N . ILE A 1 79 ? 1.355 -3.792 -2.385 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 10 -ATOM 15682 C CA . ILE A 1 79 ? 1.358 -5.235 -2.458 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 10 -ATOM 15683 C C . ILE A 1 79 ? -0.048 -5.763 -2.204 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 10 -ATOM 15684 O O . ILE A 1 79 ? -0.527 -6.675 -2.889 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 10 -ATOM 15685 C CB . ILE A 1 79 ? 2.303 -5.842 -1.378 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 10 -ATOM 15686 C CG1 . ILE A 1 79 ? 3.698 -5.202 -1.438 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 10 -ATOM 15687 C CG2 . ILE A 1 79 ? 2.417 -7.357 -1.558 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 10 -ATOM 15688 C CD1 . ILE A 1 79 ? 4.622 -5.649 -0.319 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 10 -ATOM 15689 H H . ILE A 1 79 ? 1.431 -3.357 -1.505 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 10 -ATOM 15690 H HA . ILE A 1 79 ? 1.703 -5.542 -3.434 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 10 -ATOM 15691 H HB . ILE A 1 79 ? 1.868 -5.651 -0.409 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 10 -ATOM 15692 H HG12 . ILE A 1 79 ? 4.167 -5.467 -2.374 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 10 -ATOM 15693 H HG13 . ILE A 1 79 ? 3.600 -4.127 -1.383 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 10 -ATOM 15694 H HG21 . ILE A 1 79 ? 2.788 -7.573 -2.550 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 10 -ATOM 15695 H HG22 . ILE A 1 79 ? 1.447 -7.814 -1.429 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 10 -ATOM 15696 H HG23 . ILE A 1 79 ? 3.107 -7.750 -0.827 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 10 -ATOM 15697 H HD11 . ILE A 1 79 ? 5.591 -5.189 -0.446 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 10 -ATOM 15698 H HD12 . ILE A 1 79 ? 4.729 -6.723 -0.343 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 10 -ATOM 15699 H HD13 . ILE A 1 79 ? 4.209 -5.356 0.636 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 10 -ATOM 15700 N N . SER A 1 80 ? -0.711 -5.195 -1.230 1.00 0.00 ? ? ? ? ? ? 77 SER A N 10 -ATOM 15701 C CA . SER A 1 80 ? -2.024 -5.646 -0.845 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 10 -ATOM 15702 C C . SER A 1 80 ? -2.840 -4.490 -0.307 1.00 0.00 ? ? ? ? ? ? 77 SER A C 10 -ATOM 15703 O O . SER A 1 80 ? -2.289 -3.527 0.239 1.00 0.00 ? ? ? ? ? ? 77 SER A O 10 -ATOM 15704 C CB . SER A 1 80 ? -1.905 -6.758 0.208 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 10 -ATOM 15705 O OG . SER A 1 80 ? -1.157 -7.844 -0.306 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 10 -ATOM 15706 H H . SER A 1 80 ? -0.331 -4.434 -0.737 1.00 0.00 ? ? ? ? ? ? 77 SER A H 10 -ATOM 15707 H HA . SER A 1 80 ? -2.512 -6.049 -1.719 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 10 -ATOM 15708 H HB2 . SER A 1 80 ? -1.403 -6.374 1.083 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 10 -ATOM 15709 H HB3 . SER A 1 80 ? -2.888 -7.110 0.481 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 10 -ATOM 15710 H HG . SER A 1 80 ? -0.892 -7.605 -1.202 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 10 -ATOM 15711 N N . VAL A 1 81 ? -4.124 -4.571 -0.491 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 10 -ATOM 15712 C CA . VAL A 1 81 ? -5.037 -3.566 -0.033 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 10 -ATOM 15713 C C . VAL A 1 81 ? -6.379 -4.227 0.308 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 10 -ATOM 15714 O O . VAL A 1 81 ? -6.874 -5.080 -0.453 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 10 -ATOM 15715 C CB . VAL A 1 81 ? -5.198 -2.419 -1.091 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 10 -ATOM 15716 C CG1 . VAL A 1 81 ? -5.722 -2.926 -2.432 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 10 -ATOM 15717 C CG2 . VAL A 1 81 ? -6.063 -1.296 -0.561 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 10 -ATOM 15718 H H . VAL A 1 81 ? -4.504 -5.357 -0.942 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 10 -ATOM 15719 H HA . VAL A 1 81 ? -4.627 -3.153 0.878 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 10 -ATOM 15720 H HB . VAL A 1 81 ? -4.210 -2.022 -1.276 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 10 -ATOM 15721 H HG11 . VAL A 1 81 ? -5.032 -3.652 -2.837 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 10 -ATOM 15722 H HG12 . VAL A 1 81 ? -5.821 -2.100 -3.121 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 10 -ATOM 15723 H HG13 . VAL A 1 81 ? -6.686 -3.391 -2.286 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 10 -ATOM 15724 H HG21 . VAL A 1 81 ? -7.045 -1.677 -0.327 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 10 -ATOM 15725 H HG22 . VAL A 1 81 ? -6.136 -0.521 -1.309 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 10 -ATOM 15726 H HG23 . VAL A 1 81 ? -5.610 -0.890 0.332 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 10 -ATOM 15727 N N . GLY A 1 82 ? -6.918 -3.913 1.460 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 10 -ATOM 15728 C CA . GLY A 1 82 ? -8.179 -4.484 1.858 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 10 -ATOM 15729 C C . GLY A 1 82 ? -8.315 -4.524 3.355 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 10 -ATOM 15730 O O . GLY A 1 82 ? -7.676 -3.749 4.055 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 10 -ATOM 15731 H H . GLY A 1 82 ? -6.454 -3.301 2.077 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 10 -ATOM 15732 H HA2 . GLY A 1 82 ? -8.987 -3.908 1.433 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 10 -ATOM 15733 H HA3 . GLY A 1 82 ? -8.229 -5.494 1.482 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 10 -ATOM 15734 N N . LYS A 1 83 ? -9.128 -5.412 3.854 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 10 -ATOM 15735 C CA . LYS A 1 83 ? -9.310 -5.543 5.280 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 10 -ATOM 15736 C C . LYS A 1 83 ? -8.184 -6.363 5.897 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 10 -ATOM 15737 O O . LYS A 1 83 ? -7.562 -7.212 5.233 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 10 -ATOM 15738 C CB . LYS A 1 83 ? -10.684 -6.131 5.628 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 10 -ATOM 15739 C CG . LYS A 1 83 ? -11.852 -5.227 5.242 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 10 -ATOM 15740 C CD . LYS A 1 83 ? -13.198 -5.792 5.691 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 10 -ATOM 15741 C CE . LYS A 1 83 ? -13.545 -7.104 4.993 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 10 -ATOM 15742 N NZ . LYS A 1 83 ? -14.840 -7.646 5.461 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 10 -ATOM 15743 H H . LYS A 1 83 ? -9.615 -6.006 3.244 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 10 -ATOM 15744 H HA . LYS A 1 83 ? -9.248 -4.545 5.689 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 10 -ATOM 15745 H HB2 . LYS A 1 83 ? -10.794 -7.070 5.107 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 10 -ATOM 15746 H HB3 . LYS A 1 83 ? -10.730 -6.312 6.691 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 10 -ATOM 15747 H HG2 . LYS A 1 83 ? -11.712 -4.262 5.708 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 10 -ATOM 15748 H HG3 . LYS A 1 83 ? -11.861 -5.106 4.169 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 10 -ATOM 15749 H HD2 . LYS A 1 83 ? -13.165 -5.967 6.755 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 10 -ATOM 15750 H HD3 . LYS A 1 83 ? -13.966 -5.064 5.475 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 10 -ATOM 15751 H HE2 . LYS A 1 83 ? -13.602 -6.929 3.930 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 10 -ATOM 15752 H HE3 . LYS A 1 83 ? -12.767 -7.824 5.196 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 10 -ATOM 15753 H HZ1 . LYS A 1 83 ? -15.085 -8.521 4.958 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 10 -ATOM 15754 H HZ2 . LYS A 1 83 ? -15.611 -6.966 5.304 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 10 -ATOM 15755 H HZ3 . LYS A 1 83 ? -14.786 -7.865 6.478 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 10 -ATOM 15756 N N . ALA A 1 84 ? -7.919 -6.105 7.152 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 10 -ATOM 15757 C CA . ALA A 1 84 ? -6.839 -6.748 7.858 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 10 -ATOM 15758 C C . ALA A 1 84 ? -7.326 -7.258 9.192 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 10 -ATOM 15759 O O . ALA A 1 84 ? -6.542 -7.346 10.146 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 10 -ATOM 15760 C CB . ALA A 1 84 ? -5.716 -5.759 8.067 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 10 -ATOM 15761 H H . ALA A 1 84 ? -8.484 -5.464 7.633 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 10 -ATOM 15762 H HA . ALA A 1 84 ? -6.468 -7.568 7.261 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 10 -ATOM 15763 H HB1 . ALA A 1 84 ? -6.063 -4.944 8.684 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 10 -ATOM 15764 H HB2 . ALA A 1 84 ? -5.379 -5.376 7.116 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 10 -ATOM 15765 H HB3 . ALA A 1 84 ? -4.906 -6.267 8.568 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 10 -ATOM 15766 N N . GLU A 1 85 ? -8.595 -7.670 9.210 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 10 -ATOM 15767 C CA . GLU A 1 85 ? -9.305 -8.145 10.403 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 10 -ATOM 15768 C C . GLU A 1 85 ? -8.442 -9.136 11.173 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 10 -ATOM 15769 O O . GLU A 1 85 ? -8.136 -8.936 12.341 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 10 -ATOM 15770 C CB . GLU A 1 85 ? -10.605 -8.821 9.967 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 10 -ATOM 15771 C CG . GLU A 1 85 ? -11.536 -9.182 11.094 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 10 -ATOM 15772 C CD . GLU A 1 85 ? -12.044 -7.973 11.806 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 10 -ATOM 15773 O OE1 . GLU A 1 85 ? -12.875 -7.249 11.233 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 10 -ATOM 15774 O OE2 . GLU A 1 85 ? -11.612 -7.707 12.933 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 10 -ATOM 15775 H H . GLU A 1 85 ? -9.085 -7.689 8.358 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 10 -ATOM 15776 H HA . GLU A 1 85 ? -9.539 -7.303 11.033 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 10 -ATOM 15777 H HB2 . GLU A 1 85 ? -11.133 -8.153 9.303 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 10 -ATOM 15778 H HB3 . GLU A 1 85 ? -10.358 -9.723 9.428 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 10 -ATOM 15779 H HG2 . GLU A 1 85 ? -12.376 -9.721 10.683 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 10 -ATOM 15780 H HG3 . GLU A 1 85 ? -11.012 -9.811 11.799 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 10 -ATOM 15781 N N . ALA A 1 86 ? -8.020 -10.167 10.488 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 10 -ATOM 15782 C CA . ALA A 1 86 ? -7.146 -11.155 11.053 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 10 -ATOM 15783 C C . ALA A 1 86 ? -5.860 -11.233 10.234 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 10 -ATOM 15784 O O . ALA A 1 86 ? -5.478 -12.292 9.747 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 10 -ATOM 15785 C CB . ALA A 1 86 ? -7.840 -12.510 11.136 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 10 -ATOM 15786 H H . ALA A 1 86 ? -8.326 -10.270 9.562 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 10 -ATOM 15787 H HA . ALA A 1 86 ? -6.897 -10.829 12.052 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 10 -ATOM 15788 H HB1 . ALA A 1 86 ? -7.190 -13.213 11.636 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 10 -ATOM 15789 H HB2 . ALA A 1 86 ? -8.051 -12.869 10.140 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 10 -ATOM 15790 H HB3 . ALA A 1 86 ? -8.763 -12.414 11.688 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 10 -ATOM 15791 N N . SER A 1 87 ? -5.213 -10.068 10.060 1.00 0.00 ? ? ? ? ? ? 84 SER A N 10 -ATOM 15792 C CA . SER A 1 87 ? -3.918 -9.915 9.337 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 10 -ATOM 15793 C C . SER A 1 87 ? -3.961 -10.453 7.883 1.00 0.00 ? ? ? ? ? ? 84 SER A C 10 -ATOM 15794 O O . SER A 1 87 ? -2.930 -10.834 7.320 1.00 0.00 ? ? ? ? ? ? 84 SER A O 10 -ATOM 15795 C CB . SER A 1 87 ? -2.742 -10.541 10.151 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 10 -ATOM 15796 O OG . SER A 1 87 ? -2.959 -11.913 10.464 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 10 -ATOM 15797 H H . SER A 1 87 ? -5.630 -9.270 10.454 1.00 0.00 ? ? ? ? ? ? 84 SER A H 10 -ATOM 15798 H HA . SER A 1 87 ? -3.748 -8.851 9.264 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 10 -ATOM 15799 H HB2 . SER A 1 87 ? -1.830 -10.469 9.576 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 10 -ATOM 15800 H HB3 . SER A 1 87 ? -2.616 -9.989 11.070 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 10 -ATOM 15801 H HG . SER A 1 87 ? -3.854 -12.144 10.176 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 10 -ATOM 15802 N N . GLU A 1 88 ? -5.131 -10.351 7.256 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 10 -ATOM 15803 C CA . GLU A 1 88 ? -5.369 -10.896 5.914 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 10 -ATOM 15804 C C . GLU A 1 88 ? -4.380 -10.307 4.883 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 10 -ATOM 15805 O O . GLU A 1 88 ? -3.657 -11.043 4.223 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 10 -ATOM 15806 C CB . GLU A 1 88 ? -6.800 -10.549 5.507 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 10 -ATOM 15807 C CG . GLU A 1 88 ? -7.264 -11.135 4.191 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 10 -ATOM 15808 C CD . GLU A 1 88 ? -7.434 -12.628 4.217 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 10 -ATOM 15809 O OE1 . GLU A 1 88 ? -8.521 -13.104 4.594 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 10 -ATOM 15810 O OE2 . GLU A 1 88 ? -6.516 -13.351 3.816 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 10 -ATOM 15811 H H . GLU A 1 88 ? -5.875 -9.926 7.728 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 10 -ATOM 15812 H HA . GLU A 1 88 ? -5.269 -11.970 5.947 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 10 -ATOM 15813 H HB2 . GLU A 1 88 ? -7.470 -10.903 6.276 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 10 -ATOM 15814 H HB3 . GLU A 1 88 ? -6.887 -9.474 5.448 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 10 -ATOM 15815 H HG2 . GLU A 1 88 ? -8.222 -10.701 3.945 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 10 -ATOM 15816 H HG3 . GLU A 1 88 ? -6.546 -10.880 3.424 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 10 -ATOM 15817 N N . VAL A 1 89 ? -4.283 -8.982 4.827 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 10 -ATOM 15818 C CA . VAL A 1 89 ? -3.389 -8.329 3.858 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 10 -ATOM 15819 C C . VAL A 1 89 ? -1.915 -8.425 4.263 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 10 -ATOM 15820 O O . VAL A 1 89 ? -1.027 -8.149 3.470 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 10 -ATOM 15821 C CB . VAL A 1 89 ? -3.775 -6.849 3.580 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 10 -ATOM 15822 C CG1 . VAL A 1 89 ? -5.142 -6.771 2.927 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 10 -ATOM 15823 C CG2 . VAL A 1 89 ? -3.758 -6.024 4.859 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 10 -ATOM 15824 H H . VAL A 1 89 ? -4.840 -8.434 5.416 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 10 -ATOM 15825 H HA . VAL A 1 89 ? -3.498 -8.885 2.937 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 10 -ATOM 15826 H HB . VAL A 1 89 ? -3.049 -6.434 2.895 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 10 -ATOM 15827 H HG11 . VAL A 1 89 ? -5.129 -7.321 1.998 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 10 -ATOM 15828 H HG12 . VAL A 1 89 ? -5.391 -5.739 2.733 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 10 -ATOM 15829 H HG13 . VAL A 1 89 ? -5.878 -7.200 3.590 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 10 -ATOM 15830 H HG21 . VAL A 1 89 ? -4.460 -6.450 5.561 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 10 -ATOM 15831 H HG22 . VAL A 1 89 ? -4.039 -5.005 4.637 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 10 -ATOM 15832 H HG23 . VAL A 1 89 ? -2.767 -6.042 5.289 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 10 -ATOM 15833 N N . TYR A 1 90 ? -1.667 -8.849 5.483 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 10 -ATOM 15834 C CA . TYR A 1 90 ? -0.307 -8.983 5.975 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 10 -ATOM 15835 C C . TYR A 1 90 ? 0.267 -10.285 5.491 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 10 -ATOM 15836 O O . TYR A 1 90 ? 1.389 -10.325 5.003 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 10 -ATOM 15837 C CB . TYR A 1 90 ? -0.243 -8.912 7.506 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 10 -ATOM 15838 C CG . TYR A 1 90 ? -0.597 -7.561 8.109 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 10 -ATOM 15839 C CD1 . TYR A 1 90 ? -1.863 -7.012 7.966 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 10 -ATOM 15840 C CD2 . TYR A 1 90 ? 0.342 -6.845 8.839 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 10 -ATOM 15841 C CE1 . TYR A 1 90 ? -2.180 -5.794 8.525 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 10 -ATOM 15842 C CE2 . TYR A 1 90 ? 0.026 -5.622 9.402 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 10 -ATOM 15843 C CZ . TYR A 1 90 ? -1.237 -5.104 9.238 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 10 -ATOM 15844 O OH . TYR A 1 90 ? -1.568 -3.892 9.800 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 10 -ATOM 15845 H H . TYR A 1 90 ? -2.418 -9.116 6.051 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 10 -ATOM 15846 H HA . TYR A 1 90 ? 0.273 -8.173 5.555 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 10 -ATOM 15847 H HB2 . TYR A 1 90 ? -0.921 -9.650 7.906 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 10 -ATOM 15848 H HB3 . TYR A 1 90 ? 0.760 -9.168 7.818 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 10 -ATOM 15849 H HD1 . TYR A 1 90 ? -2.607 -7.555 7.402 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 10 -ATOM 15850 H HD2 . TYR A 1 90 ? 1.333 -7.253 8.964 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 10 -ATOM 15851 H HE1 . TYR A 1 90 ? -3.167 -5.377 8.400 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 10 -ATOM 15852 H HE2 . TYR A 1 90 ? 0.769 -5.078 9.963 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 10 -ATOM 15853 H HH . TYR A 1 90 ? -0.838 -3.272 9.718 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 10 -ATOM 15854 N N . SER A 1 91 ? -0.533 -11.346 5.582 1.00 0.00 ? ? ? ? ? ? 88 SER A N 10 -ATOM 15855 C CA . SER A 1 91 ? -0.111 -12.656 5.136 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 10 -ATOM 15856 C C . SER A 1 91 ? 0.068 -12.644 3.612 1.00 0.00 ? ? ? ? ? ? 88 SER A C 10 -ATOM 15857 O O . SER A 1 91 ? 0.983 -13.285 3.080 1.00 0.00 ? ? ? ? ? ? 88 SER A O 10 -ATOM 15858 C CB . SER A 1 91 ? -1.118 -13.729 5.574 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 10 -ATOM 15859 O OG . SER A 1 91 ? -0.626 -15.049 5.332 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 10 -ATOM 15860 H H . SER A 1 91 ? -1.427 -11.247 5.978 1.00 0.00 ? ? ? ? ? ? 88 SER A H 10 -ATOM 15861 H HA . SER A 1 91 ? 0.844 -12.857 5.598 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 10 -ATOM 15862 H HB2 . SER A 1 91 ? -1.320 -13.621 6.629 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 10 -ATOM 15863 H HB3 . SER A 1 91 ? -2.031 -13.593 5.013 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 10 -ATOM 15864 H HG . SER A 1 91 ? -0.912 -15.293 4.441 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 10 -ATOM 15865 N N . GLU A 1 92 ? -0.786 -11.869 2.930 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 10 -ATOM 15866 C CA . GLU A 1 92 ? -0.695 -11.690 1.480 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 10 -ATOM 15867 C C . GLU A 1 92 ? 0.649 -11.068 1.127 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 10 -ATOM 15868 O O . GLU A 1 92 ? 1.365 -11.544 0.241 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 10 -ATOM 15869 C CB . GLU A 1 92 ? -1.798 -10.747 0.991 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 10 -ATOM 15870 C CG . GLU A 1 92 ? -3.219 -11.246 1.158 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 10 -ATOM 15871 C CD . GLU A 1 92 ? -3.521 -12.437 0.304 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 10 -ATOM 15872 O OE1 . GLU A 1 92 ? -3.653 -12.277 -0.924 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 10 -ATOM 15873 O OE2 . GLU A 1 92 ? -3.686 -13.552 0.841 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 10 -ATOM 15874 H H . GLU A 1 92 ? -1.511 -11.418 3.415 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 10 -ATOM 15875 H HA . GLU A 1 92 ? -0.803 -12.648 0.994 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 10 -ATOM 15876 H HB2 . GLU A 1 92 ? -1.713 -9.815 1.531 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 10 -ATOM 15877 H HB3 . GLU A 1 92 ? -1.628 -10.549 -0.058 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 10 -ATOM 15878 H HG2 . GLU A 1 92 ? -3.371 -11.521 2.191 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 10 -ATOM 15879 H HG3 . GLU A 1 92 ? -3.902 -10.449 0.902 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 10 -ATOM 15880 N N . ALA A 1 93 ? 0.989 -10.018 1.850 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 10 -ATOM 15881 C CA . ALA A 1 93 ? 2.210 -9.288 1.622 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 10 -ATOM 15882 C C . ALA A 1 93 ? 3.446 -10.115 1.957 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 10 -ATOM 15883 O O . ALA A 1 93 ? 4.295 -10.335 1.092 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 10 -ATOM 15884 C CB . ALA A 1 93 ? 2.206 -7.982 2.403 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 10 -ATOM 15885 H H . ALA A 1 93 ? 0.380 -9.715 2.556 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 10 -ATOM 15886 H HA . ALA A 1 93 ? 2.240 -9.044 0.571 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 10 -ATOM 15887 H HB1 . ALA A 1 93 ? 3.086 -7.408 2.152 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 10 -ATOM 15888 H HB2 . ALA A 1 93 ? 2.205 -8.198 3.461 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 10 -ATOM 15889 H HB3 . ALA A 1 93 ? 1.322 -7.414 2.152 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 10 -ATOM 15890 N N . VAL A 1 94 ? 3.519 -10.619 3.190 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 10 -ATOM 15891 C CA . VAL A 1 94 ? 4.707 -11.331 3.668 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 10 -ATOM 15892 C C . VAL A 1 94 ? 5.016 -12.573 2.832 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 10 -ATOM 15893 O O . VAL A 1 94 ? 6.171 -12.830 2.510 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 10 -ATOM 15894 C CB . VAL A 1 94 ? 4.648 -11.673 5.204 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 10 -ATOM 15895 C CG1 . VAL A 1 94 ? 3.536 -12.649 5.539 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 10 -ATOM 15896 C CG2 . VAL A 1 94 ? 5.989 -12.187 5.716 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 10 -ATOM 15897 H H . VAL A 1 94 ? 2.749 -10.506 3.794 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 10 -ATOM 15898 H HA . VAL A 1 94 ? 5.534 -10.655 3.507 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 10 -ATOM 15899 H HB . VAL A 1 94 ? 4.426 -10.752 5.723 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 10 -ATOM 15900 H HG11 . VAL A 1 94 ? 2.603 -12.209 5.220 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 10 -ATOM 15901 H HG12 . VAL A 1 94 ? 3.513 -12.832 6.603 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 10 -ATOM 15902 H HG13 . VAL A 1 94 ? 3.694 -13.578 5.011 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 10 -ATOM 15903 H HG21 . VAL A 1 94 ? 6.743 -11.428 5.577 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 10 -ATOM 15904 H HG22 . VAL A 1 94 ? 6.267 -13.068 5.157 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 10 -ATOM 15905 H HG23 . VAL A 1 94 ? 5.908 -12.432 6.764 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 10 -ATOM 15906 N N . LYS A 1 95 ? 3.994 -13.297 2.413 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 10 -ATOM 15907 C CA . LYS A 1 95 ? 4.221 -14.496 1.639 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 10 -ATOM 15908 C C . LYS A 1 95 ? 4.566 -14.219 0.189 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 10 -ATOM 15909 O O . LYS A 1 95 ? 5.033 -15.103 -0.520 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 10 -ATOM 15910 C CB . LYS A 1 95 ? 3.105 -15.533 1.801 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 10 -ATOM 15911 C CG . LYS A 1 95 ? 3.041 -16.146 3.203 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 10 -ATOM 15912 C CD . LYS A 1 95 ? 4.406 -16.708 3.647 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 10 -ATOM 15913 C CE . LYS A 1 95 ? 4.925 -17.800 2.715 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 10 -ATOM 15914 N NZ . LYS A 1 95 ? 6.330 -18.150 3.010 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 10 -ATOM 15915 H H . LYS A 1 95 ? 3.076 -13.020 2.628 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 10 -ATOM 15916 H HA . LYS A 1 95 ? 5.127 -14.920 2.048 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 10 -ATOM 15917 H HB2 . LYS A 1 95 ? 2.158 -15.046 1.613 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 10 -ATOM 15918 H HB3 . LYS A 1 95 ? 3.241 -16.328 1.085 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 10 -ATOM 15919 H HG2 . LYS A 1 95 ? 2.736 -15.382 3.902 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 10 -ATOM 15920 H HG3 . LYS A 1 95 ? 2.315 -16.946 3.202 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 10 -ATOM 15921 H HD2 . LYS A 1 95 ? 5.134 -15.915 3.710 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 10 -ATOM 15922 H HD3 . LYS A 1 95 ? 4.282 -17.132 4.632 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 10 -ATOM 15923 H HE2 . LYS A 1 95 ? 4.315 -18.684 2.828 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 10 -ATOM 15924 H HE3 . LYS A 1 95 ? 4.863 -17.449 1.696 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 10 -ATOM 15925 H HZ1 . LYS A 1 95 ? 6.587 -19.017 2.499 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 10 -ATOM 15926 H HZ2 . LYS A 1 95 ? 6.505 -18.308 4.023 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 10 -ATOM 15927 H HZ3 . LYS A 1 95 ? 6.956 -17.392 2.646 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 10 -ATOM 15928 N N . ARG A 1 96 ? 4.369 -13.000 -0.249 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 10 -ATOM 15929 C CA . ARG A 1 96 ? 4.766 -12.638 -1.584 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 10 -ATOM 15930 C C . ARG A 1 96 ? 6.180 -12.046 -1.519 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 10 -ATOM 15931 O O . ARG A 1 96 ? 6.876 -11.923 -2.525 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 10 -ATOM 15932 C CB . ARG A 1 96 ? 3.766 -11.660 -2.196 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 10 -ATOM 15933 C CG . ARG A 1 96 ? 3.900 -11.490 -3.702 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 10 -ATOM 15934 C CD . ARG A 1 96 ? 2.802 -10.595 -4.240 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 10 -ATOM 15935 N NE . ARG A 1 96 ? 1.463 -11.106 -3.899 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 10 -ATOM 15936 C CZ . ARG A 1 96 ? 0.395 -10.338 -3.681 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 10 -ATOM 15937 N NH1 . ARG A 1 96 ? 0.454 -9.039 -3.948 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 10 -ATOM 15938 N NH2 . ARG A 1 96 ? -0.737 -10.878 -3.249 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 10 -ATOM 15939 H H . ARG A 1 96 ? 3.936 -12.333 0.326 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 10 -ATOM 15940 H HA . ARG A 1 96 ? 4.805 -13.544 -2.169 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 10 -ATOM 15941 H HB2 . ARG A 1 96 ? 2.765 -12.009 -1.987 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 10 -ATOM 15942 H HB3 . ARG A 1 96 ? 3.903 -10.695 -1.732 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 10 -ATOM 15943 H HG2 . ARG A 1 96 ? 4.861 -11.048 -3.922 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 10 -ATOM 15944 H HG3 . ARG A 1 96 ? 3.829 -12.458 -4.173 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 10 -ATOM 15945 H HD2 . ARG A 1 96 ? 2.919 -9.608 -3.816 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 10 -ATOM 15946 H HD3 . ARG A 1 96 ? 2.891 -10.540 -5.315 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 10 -ATOM 15947 H HE . ARG A 1 96 ? 1.402 -12.084 -3.795 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 10 -ATOM 15948 H HH11 . ARG A 1 96 ? 1.287 -8.632 -4.327 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 10 -ATOM 15949 H HH12 . ARG A 1 96 ? -0.303 -8.400 -3.778 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 10 -ATOM 15950 H HH21 . ARG A 1 96 ? -0.824 -11.863 -3.077 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 10 -ATOM 15951 H HH22 . ARG A 1 96 ? -1.566 -10.341 -3.064 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 10 -ATOM 15952 N N . ILE A 1 97 ? 6.584 -11.688 -0.314 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 10 -ATOM 15953 C CA . ILE A 1 97 ? 7.923 -11.211 -0.046 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 10 -ATOM 15954 C C . ILE A 1 97 ? 8.857 -12.414 0.124 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 10 -ATOM 15955 O O . ILE A 1 97 ? 9.920 -12.489 -0.504 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 10 -ATOM 15956 C CB . ILE A 1 97 ? 7.969 -10.310 1.234 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 10 -ATOM 15957 C CG1 . ILE A 1 97 ? 7.151 -9.017 1.041 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 10 -ATOM 15958 C CG2 . ILE A 1 97 ? 9.398 -9.983 1.651 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 10 -ATOM 15959 C CD1 . ILE A 1 97 ? 7.630 -8.131 -0.096 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 10 -ATOM 15960 H H . ILE A 1 97 ? 5.942 -11.742 0.425 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 10 -ATOM 15961 H HA . ILE A 1 97 ? 8.253 -10.635 -0.899 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 10 -ATOM 15962 H HB . ILE A 1 97 ? 7.522 -10.878 2.038 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 10 -ATOM 15963 H HG12 . ILE A 1 97 ? 6.122 -9.278 0.841 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 10 -ATOM 15964 H HG13 . ILE A 1 97 ? 7.192 -8.438 1.953 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 10 -ATOM 15965 H HG21 . ILE A 1 97 ? 9.929 -10.899 1.861 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 10 -ATOM 15966 H HG22 . ILE A 1 97 ? 9.374 -9.369 2.539 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 10 -ATOM 15967 H HG23 . ILE A 1 97 ? 9.895 -9.449 0.854 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 10 -ATOM 15968 H HD11 . ILE A 1 97 ? 7.027 -7.236 -0.131 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 10 -ATOM 15969 H HD12 . ILE A 1 97 ? 7.531 -8.659 -1.033 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 10 -ATOM 15970 H HD13 . ILE A 1 97 ? 8.663 -7.864 0.064 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 10 -ATOM 15971 N N . LEU A 1 98 ? 8.448 -13.355 0.951 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 10 -ATOM 15972 C CA . LEU A 1 98 ? 9.223 -14.542 1.191 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 10 -ATOM 15973 C C . LEU A 1 98 ? 8.490 -15.815 0.745 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 10 -ATOM 15974 O O . LEU A 1 98 ? 7.723 -16.410 1.514 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 10 -ATOM 15975 C CB . LEU A 1 98 ? 9.817 -14.571 2.640 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 10 -ATOM 15976 C CG . LEU A 1 98 ? 8.910 -14.146 3.829 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 10 -ATOM 15977 C CD1 . LEU A 1 98 ? 7.918 -15.217 4.224 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 10 -ATOM 15978 C CD2 . LEU A 1 98 ? 9.746 -13.733 5.022 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 10 -ATOM 15979 O OXT . LEU A 1 98 ? 8.649 -16.195 -0.440 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 10 -ATOM 15980 H H . LEU A 1 98 ? 7.589 -13.263 1.420 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 10 -ATOM 15981 H HA . LEU A 1 98 ? 10.046 -14.448 0.497 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 10 -ATOM 15982 H HB2 . LEU A 1 98 ? 10.149 -15.580 2.836 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 10 -ATOM 15983 H HB3 . LEU A 1 98 ? 10.691 -13.935 2.645 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 10 -ATOM 15984 H HG . LEU A 1 98 ? 8.335 -13.285 3.522 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 10 -ATOM 15985 H HD11 . LEU A 1 98 ? 7.277 -15.437 3.383 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 10 -ATOM 15986 H HD12 . LEU A 1 98 ? 7.323 -14.876 5.058 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 10 -ATOM 15987 H HD13 . LEU A 1 98 ? 8.453 -16.111 4.506 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 10 -ATOM 15988 H HD21 . LEU A 1 98 ? 10.385 -12.905 4.753 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 10 -ATOM 15989 H HD22 . LEU A 1 98 ? 10.352 -14.570 5.337 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 10 -ATOM 15990 H HD23 . LEU A 1 98 ? 9.094 -13.439 5.832 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 10 -ATOM 15991 N N . MET A 1 4 ? 12.294 14.052 -2.632 1.00 0.00 ? ? ? ? ? ? 1 MET A N 11 -ATOM 15992 C CA . MET A 1 4 ? 11.695 13.744 -3.930 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 11 -ATOM 15993 C C . MET A 1 4 ? 10.383 13.042 -3.707 1.00 0.00 ? ? ? ? ? ? 1 MET A C 11 -ATOM 15994 O O . MET A 1 4 ? 10.239 12.314 -2.733 1.00 0.00 ? ? ? ? ? ? 1 MET A O 11 -ATOM 15995 C CB . MET A 1 4 ? 12.632 12.848 -4.757 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 11 -ATOM 15996 C CG . MET A 1 4 ? 12.099 12.457 -6.126 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 11 -ATOM 15997 S SD . MET A 1 4 ? 13.230 11.397 -7.032 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 11 -ATOM 15998 C CE . MET A 1 4 ? 12.270 11.076 -8.509 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 11 -ATOM 15999 H H . MET A 1 4 ? 12.388 13.185 -2.067 1.00 0.00 ? ? ? ? ? ? 1 MET A H 11 -ATOM 16000 H HA . MET A 1 4 ? 11.516 14.667 -4.460 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 11 -ATOM 16001 H HB2 . MET A 1 4 ? 13.562 13.371 -4.911 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 11 -ATOM 16002 H HB3 . MET A 1 4 ? 12.822 11.944 -4.197 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 11 -ATOM 16003 H HG2 . MET A 1 4 ? 11.164 11.931 -6.000 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 11 -ATOM 16004 H HG3 . MET A 1 4 ? 11.932 13.355 -6.700 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 11 -ATOM 16005 H HE1 . MET A 1 4 ? 12.821 10.414 -9.160 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 11 -ATOM 16006 H HE2 . MET A 1 4 ? 12.073 12.006 -9.020 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 11 -ATOM 16007 H HE3 . MET A 1 4 ? 11.339 10.612 -8.222 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 11 -ATOM 16008 N N . ALA A 1 5 ? 9.433 13.273 -4.583 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 11 -ATOM 16009 C CA . ALA A 1 5 ? 8.167 12.595 -4.518 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 11 -ATOM 16010 C C . ALA A 1 5 ? 8.302 11.294 -5.275 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 11 -ATOM 16011 O O . ALA A 1 5 ? 8.835 11.265 -6.397 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 11 -ATOM 16012 C CB . ALA A 1 5 ? 7.057 13.453 -5.099 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 11 -ATOM 16013 H H . ALA A 1 5 ? 9.599 13.902 -5.317 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 11 -ATOM 16014 H HA . ALA A 1 5 ? 7.954 12.380 -3.480 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 11 -ATOM 16015 H HB1 . ALA A 1 5 ? 6.118 12.924 -5.028 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 11 -ATOM 16016 H HB2 . ALA A 1 5 ? 7.277 13.657 -6.135 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 11 -ATOM 16017 H HB3 . ALA A 1 5 ? 6.993 14.381 -4.552 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 11 -ATOM 16018 N N . TYR A 1 6 ? 7.855 10.241 -4.677 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 11 -ATOM 16019 C CA . TYR A 1 6 ? 8.033 8.911 -5.225 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 11 -ATOM 16020 C C . TYR A 1 6 ? 6.949 8.567 -6.225 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 11 -ATOM 16021 O O . TYR A 1 6 ? 5.952 9.287 -6.359 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 11 -ATOM 16022 C CB . TYR A 1 6 ? 8.047 7.859 -4.103 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 11 -ATOM 16023 C CG . TYR A 1 6 ? 9.206 7.953 -3.116 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 11 -ATOM 16024 C CD1 . TYR A 1 6 ? 9.489 9.132 -2.440 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 11 -ATOM 16025 C CD2 . TYR A 1 6 ? 9.995 6.846 -2.842 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 11 -ATOM 16026 C CE1 . TYR A 1 6 ? 10.513 9.212 -1.534 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 11 -ATOM 16027 C CE2 . TYR A 1 6 ? 11.019 6.917 -1.919 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 11 -ATOM 16028 C CZ . TYR A 1 6 ? 11.270 8.104 -1.270 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 11 -ATOM 16029 O OH . TYR A 1 6 ? 12.265 8.177 -0.332 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 11 -ATOM 16030 H H . TYR A 1 6 ? 7.375 10.354 -3.829 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 11 -ATOM 16031 H HA . TYR A 1 6 ? 8.990 8.884 -5.722 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 11 -ATOM 16032 H HB2 . TYR A 1 6 ? 7.134 7.947 -3.536 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 11 -ATOM 16033 H HB3 . TYR A 1 6 ? 8.075 6.879 -4.557 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 11 -ATOM 16034 H HD1 . TYR A 1 6 ? 8.890 10.005 -2.647 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 11 -ATOM 16035 H HD2 . TYR A 1 6 ? 9.796 5.917 -3.355 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 11 -ATOM 16036 H HE1 . TYR A 1 6 ? 10.708 10.146 -1.030 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 11 -ATOM 16037 H HE2 . TYR A 1 6 ? 11.624 6.046 -1.716 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 11 -ATOM 16038 H HH . TYR A 1 6 ? 13.051 7.728 -0.692 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 11 -ATOM 16039 N N . PHE A 1 7 ? 7.164 7.485 -6.928 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 11 -ATOM 16040 C CA . PHE A 1 7 ? 6.207 6.951 -7.866 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 11 -ATOM 16041 C C . PHE A 1 7 ? 5.294 5.995 -7.113 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 11 -ATOM 16042 O O . PHE A 1 7 ? 5.648 5.544 -6.031 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 11 -ATOM 16043 C CB . PHE A 1 7 ? 6.936 6.198 -8.994 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 11 -ATOM 16044 C CG . PHE A 1 7 ? 7.837 7.058 -9.838 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 11 -ATOM 16045 C CD1 . PHE A 1 7 ? 7.333 7.748 -10.921 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 11 -ATOM 16046 C CD2 . PHE A 1 7 ? 9.189 7.172 -9.548 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 11 -ATOM 16047 C CE1 . PHE A 1 7 ? 8.153 8.538 -11.701 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 11 -ATOM 16048 C CE2 . PHE A 1 7 ? 10.014 7.960 -10.320 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 11 -ATOM 16049 C CZ . PHE A 1 7 ? 9.495 8.644 -11.399 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 11 -ATOM 16050 H H . PHE A 1 7 ? 8.015 7.007 -6.801 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 11 -ATOM 16051 H HA . PHE A 1 7 ? 5.636 7.767 -8.282 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 11 -ATOM 16052 H HB2 . PHE A 1 7 ? 7.558 5.441 -8.541 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 11 -ATOM 16053 H HB3 . PHE A 1 7 ? 6.216 5.713 -9.638 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 11 -ATOM 16054 H HD1 . PHE A 1 7 ? 6.283 7.667 -11.155 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 11 -ATOM 16055 H HD2 . PHE A 1 7 ? 9.597 6.637 -8.702 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 11 -ATOM 16056 H HE1 . PHE A 1 7 ? 7.740 9.071 -12.545 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 11 -ATOM 16057 H HE2 . PHE A 1 7 ? 11.064 8.041 -10.082 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 11 -ATOM 16058 H HZ . PHE A 1 7 ? 10.139 9.262 -12.006 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 11 -ATOM 16059 N N . LEU A 1 8 ? 4.149 5.693 -7.654 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 11 -ATOM 16060 C CA . LEU A 1 8 ? 3.226 4.775 -7.004 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 11 -ATOM 16061 C C . LEU A 1 8 ? 2.884 3.670 -8.015 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 11 -ATOM 16062 O O . LEU A 1 8 ? 2.595 3.965 -9.181 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 11 -ATOM 16063 C CB . LEU A 1 8 ? 1.944 5.553 -6.562 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 11 -ATOM 16064 C CG . LEU A 1 8 ? 1.042 4.953 -5.430 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 11 -ATOM 16065 C CD1 . LEU A 1 8 ? 0.493 3.589 -5.756 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 11 -ATOM 16066 C CD2 . LEU A 1 8 ? 1.767 4.917 -4.101 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 11 -ATOM 16067 H H . LEU A 1 8 ? 3.903 6.091 -8.519 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 11 -ATOM 16068 H HA . LEU A 1 8 ? 3.713 4.343 -6.142 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 11 -ATOM 16069 H HB2 . LEU A 1 8 ? 2.253 6.536 -6.241 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 11 -ATOM 16070 H HB3 . LEU A 1 8 ? 1.330 5.677 -7.442 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 11 -ATOM 16071 H HG . LEU A 1 8 ? 0.189 5.606 -5.311 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 11 -ATOM 16072 H HD11 . LEU A 1 8 ? -0.159 3.647 -6.614 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 11 -ATOM 16073 H HD12 . LEU A 1 8 ? -0.048 3.216 -4.897 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 11 -ATOM 16074 H HD13 . LEU A 1 8 ? 1.314 2.920 -5.967 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 11 -ATOM 16075 H HD21 . LEU A 1 8 ? 2.030 5.919 -3.796 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 11 -ATOM 16076 H HD22 . LEU A 1 8 ? 2.656 4.314 -4.197 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 11 -ATOM 16077 H HD23 . LEU A 1 8 ? 1.120 4.475 -3.359 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 11 -ATOM 16078 N N . ASP A 1 9 ? 2.946 2.424 -7.600 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 11 -ATOM 16079 C CA . ASP A 1 9 ? 2.604 1.305 -8.480 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 11 -ATOM 16080 C C . ASP A 1 9 ? 1.826 0.279 -7.678 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 11 -ATOM 16081 O O . ASP A 1 9 ? 1.952 0.241 -6.460 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 11 -ATOM 16082 C CB . ASP A 1 9 ? 3.875 0.665 -9.050 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 11 -ATOM 16083 C CG . ASP A 1 9 ? 3.602 -0.217 -10.250 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 11 -ATOM 16084 O OD1 . ASP A 1 9 ? 3.239 0.331 -11.327 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 11 -ATOM 16085 O OD2 . ASP A 1 9 ? 3.780 -1.441 -10.172 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 11 -ATOM 16086 H H . ASP A 1 9 ? 3.229 2.223 -6.676 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 11 -ATOM 16087 H HA . ASP A 1 9 ? 1.989 1.676 -9.285 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 11 -ATOM 16088 H HB2 . ASP A 1 9 ? 4.587 1.428 -9.323 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 11 -ATOM 16089 H HB3 . ASP A 1 9 ? 4.302 0.047 -8.275 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 11 -ATOM 16090 N N . PHE A 1 10 ? 1.025 -0.524 -8.329 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 11 -ATOM 16091 C CA . PHE A 1 10 ? 0.220 -1.534 -7.641 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 11 -ATOM 16092 C C . PHE A 1 10 ? 0.512 -2.915 -8.193 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 11 -ATOM 16093 O O . PHE A 1 10 ? 0.598 -3.096 -9.412 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 11 -ATOM 16094 C CB . PHE A 1 10 ? -1.287 -1.286 -7.824 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 11 -ATOM 16095 C CG . PHE A 1 10 ? -1.858 -0.036 -7.219 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 11 -ATOM 16096 C CD1 . PHE A 1 10 ? -1.801 1.169 -7.891 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 11 -ATOM 16097 C CD2 . PHE A 1 10 ? -2.494 -0.083 -5.993 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 11 -ATOM 16098 C CE1 . PHE A 1 10 ? -2.364 2.303 -7.351 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 11 -ATOM 16099 C CE2 . PHE A 1 10 ? -3.054 1.050 -5.444 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 11 -ATOM 16100 C CZ . PHE A 1 10 ? -2.991 2.245 -6.125 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 11 -ATOM 16101 H H . PHE A 1 10 ? 0.972 -0.470 -9.308 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 11 -ATOM 16102 H HA . PHE A 1 10 ? 0.450 -1.510 -6.586 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 11 -ATOM 16103 H HB2 . PHE A 1 10 ? -1.497 -1.238 -8.882 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 11 -ATOM 16104 H HB3 . PHE A 1 10 ? -1.821 -2.129 -7.412 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 11 -ATOM 16105 H HD1 . PHE A 1 10 ? -1.306 1.216 -8.849 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 11 -ATOM 16106 H HD2 . PHE A 1 10 ? -2.545 -1.019 -5.458 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 11 -ATOM 16107 H HE1 . PHE A 1 10 ? -2.313 3.239 -7.886 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 11 -ATOM 16108 H HE2 . PHE A 1 10 ? -3.545 0.999 -4.484 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 11 -ATOM 16109 H HZ . PHE A 1 10 ? -3.433 3.135 -5.701 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 11 -ATOM 16110 N N . ASP A 1 11 ? 0.670 -3.876 -7.315 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 11 -ATOM 16111 C CA . ASP A 1 11 ? 0.800 -5.287 -7.707 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 11 -ATOM 16112 C C . ASP A 1 11 ? -0.531 -5.771 -8.284 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 11 -ATOM 16113 O O . ASP A 1 11 ? -1.572 -5.187 -7.973 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 11 -ATOM 16114 C CB . ASP A 1 11 ? 1.198 -6.156 -6.502 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 11 -ATOM 16115 C CG . ASP A 1 11 ? 1.255 -7.631 -6.839 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 11 -ATOM 16116 O OD1 . ASP A 1 11 ? 2.287 -8.110 -7.369 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 11 -ATOM 16117 O OD2 . ASP A 1 11 ? 0.268 -8.335 -6.602 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 11 -ATOM 16118 H H . ASP A 1 11 ? 0.707 -3.649 -6.358 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 11 -ATOM 16119 H HA . ASP A 1 11 ? 1.560 -5.351 -8.472 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 11 -ATOM 16120 H HB2 . ASP A 1 11 ? 2.173 -5.850 -6.152 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 11 -ATOM 16121 H HB3 . ASP A 1 11 ? 0.479 -6.013 -5.710 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 11 -ATOM 16122 N N . GLU A 1 12 ? -0.505 -6.807 -9.126 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 11 -ATOM 16123 C CA . GLU A 1 12 ? -1.720 -7.348 -9.733 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 11 -ATOM 16124 C C . GLU A 1 12 ? -2.779 -7.691 -8.665 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 11 -ATOM 16125 O O . GLU A 1 12 ? -3.957 -7.396 -8.843 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 11 -ATOM 16126 C CB . GLU A 1 12 ? -1.426 -8.610 -10.568 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 11 -ATOM 16127 C CG . GLU A 1 12 ? -0.820 -9.756 -9.766 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 11 -ATOM 16128 C CD . GLU A 1 12 ? -0.933 -11.073 -10.460 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 11 -ATOM 16129 O OE1 . GLU A 1 12 ? -2.008 -11.703 -10.386 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 11 -ATOM 16130 O OE2 . GLU A 1 12 ? 0.038 -11.529 -11.081 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 11 -ATOM 16131 H H . GLU A 1 12 ? 0.359 -7.218 -9.350 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 11 -ATOM 16132 H HA . GLU A 1 12 ? -2.126 -6.588 -10.384 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 11 -ATOM 16133 H HB2 . GLU A 1 12 ? -2.349 -8.961 -11.008 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 11 -ATOM 16134 H HB3 . GLU A 1 12 ? -0.740 -8.350 -11.360 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 11 -ATOM 16135 H HG2 . GLU A 1 12 ? 0.224 -9.549 -9.587 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 11 -ATOM 16136 H HG3 . GLU A 1 12 ? -1.336 -9.817 -8.820 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 11 -ATOM 16137 N N . ARG A 1 13 ? -2.348 -8.266 -7.538 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 11 -ATOM 16138 C CA . ARG A 1 13 ? -3.265 -8.633 -6.477 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 11 -ATOM 16139 C C . ARG A 1 13 ? -3.807 -7.406 -5.811 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 11 -ATOM 16140 O O . ARG A 1 13 ? -4.990 -7.335 -5.512 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 11 -ATOM 16141 C CB . ARG A 1 13 ? -2.614 -9.580 -5.466 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 11 -ATOM 16142 C CG . ARG A 1 13 ? -2.465 -11.014 -5.969 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 11 -ATOM 16143 C CD . ARG A 1 13 ? -3.818 -11.686 -6.105 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 11 -ATOM 16144 N NE . ARG A 1 13 ? -4.515 -11.766 -4.814 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 11 -ATOM 16145 C CZ . ARG A 1 13 ? -5.817 -12.039 -4.648 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 11 -ATOM 16146 N NH1 . ARG A 1 13 ? -6.581 -12.317 -5.697 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 11 -ATOM 16147 N NH2 . ARG A 1 13 ? -6.334 -12.061 -3.429 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 11 -ATOM 16148 H H . ARG A 1 13 ? -1.379 -8.414 -7.403 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 11 -ATOM 16149 H HA . ARG A 1 13 ? -4.097 -9.137 -6.944 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 11 -ATOM 16150 H HB2 . ARG A 1 13 ? -1.632 -9.204 -5.223 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 11 -ATOM 16151 H HB3 . ARG A 1 13 ? -3.215 -9.597 -4.568 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 11 -ATOM 16152 H HG2 . ARG A 1 13 ? -1.981 -11.012 -6.933 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 11 -ATOM 16153 H HG3 . ARG A 1 13 ? -1.876 -11.590 -5.273 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 11 -ATOM 16154 H HD2 . ARG A 1 13 ? -4.425 -11.129 -6.802 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 11 -ATOM 16155 H HD3 . ARG A 1 13 ? -3.669 -12.686 -6.479 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 11 -ATOM 16156 H HE . ARG A 1 13 ? -3.940 -11.605 -4.021 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 11 -ATOM 16157 H HH11 . ARG A 1 13 ? -6.223 -12.343 -6.633 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 11 -ATOM 16158 H HH12 . ARG A 1 13 ? -7.557 -12.520 -5.585 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 11 -ATOM 16159 H HH21 . ARG A 1 13 ? -5.759 -11.877 -2.616 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 11 -ATOM 16160 H HH22 . ARG A 1 13 ? -7.300 -12.259 -3.238 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 11 -ATOM 16161 N N . ALA A 1 14 ? -2.957 -6.414 -5.655 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 11 -ATOM 16162 C CA . ALA A 1 14 ? -3.351 -5.155 -5.070 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 11 -ATOM 16163 C C . ALA A 1 14 ? -4.397 -4.480 -5.947 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 11 -ATOM 16164 O O . ALA A 1 14 ? -5.355 -3.934 -5.448 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 11 -ATOM 16165 C CB . ALA A 1 14 ? -2.151 -4.249 -4.874 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 11 -ATOM 16166 H H . ALA A 1 14 ? -2.033 -6.545 -5.961 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 11 -ATOM 16167 H HA . ALA A 1 14 ? -3.790 -5.366 -4.105 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 11 -ATOM 16168 H HB1 . ALA A 1 14 ? -1.699 -4.039 -5.832 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 11 -ATOM 16169 H HB2 . ALA A 1 14 ? -1.427 -4.734 -4.233 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 11 -ATOM 16170 H HB3 . ALA A 1 14 ? -2.472 -3.324 -4.421 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 11 -ATOM 16171 N N . LEU A 1 15 ? -4.224 -4.579 -7.263 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 11 -ATOM 16172 C CA . LEU A 1 15 ? -5.165 -4.011 -8.215 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 11 -ATOM 16173 C C . LEU A 1 15 ? -6.496 -4.718 -8.153 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 11 -ATOM 16174 O O . LEU A 1 15 ? -7.540 -4.082 -8.166 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 11 -ATOM 16175 C CB . LEU A 1 15 ? -4.612 -4.061 -9.637 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 11 -ATOM 16176 C CG . LEU A 1 15 ? -3.558 -3.019 -9.998 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 11 -ATOM 16177 C CD1 . LEU A 1 15 ? -2.993 -3.304 -11.381 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 11 -ATOM 16178 C CD2 . LEU A 1 15 ? -4.169 -1.616 -9.962 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 11 -ATOM 16179 H H . LEU A 1 15 ? -3.434 -5.052 -7.609 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 11 -ATOM 16180 H HA . LEU A 1 15 ? -5.317 -2.978 -7.942 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 11 -ATOM 16181 H HB2 . LEU A 1 15 ? -4.175 -5.038 -9.782 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 11 -ATOM 16182 H HB3 . LEU A 1 15 ? -5.440 -3.961 -10.319 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 11 -ATOM 16183 H HG . LEU A 1 15 ? -2.749 -3.058 -9.283 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 11 -ATOM 16184 H HD11 . LEU A 1 15 ? -2.531 -4.280 -11.388 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 11 -ATOM 16185 H HD12 . LEU A 1 15 ? -2.255 -2.556 -11.631 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 11 -ATOM 16186 H HD13 . LEU A 1 15 ? -3.792 -3.280 -12.107 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 11 -ATOM 16187 H HD21 . LEU A 1 15 ? -4.526 -1.388 -8.968 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 11 -ATOM 16188 H HD22 . LEU A 1 15 ? -5.002 -1.568 -10.646 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 11 -ATOM 16189 H HD23 . LEU A 1 15 ? -3.424 -0.890 -10.252 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 11 -ATOM 16190 N N . LYS A 1 16 ? -6.452 -6.025 -8.066 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 11 -ATOM 16191 C CA . LYS A 1 16 ? -7.651 -6.839 -7.997 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 11 -ATOM 16192 C C . LYS A 1 16 ? -8.470 -6.499 -6.761 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 11 -ATOM 16193 O O . LYS A 1 16 ? -9.705 -6.359 -6.832 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 11 -ATOM 16194 C CB . LYS A 1 16 ? -7.267 -8.314 -8.014 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 11 -ATOM 16195 C CG . LYS A 1 16 ? -6.670 -8.737 -9.337 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 11 -ATOM 16196 C CD . LYS A 1 16 ? -5.956 -10.065 -9.250 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 11 -ATOM 16197 C CE . LYS A 1 16 ? -5.479 -10.487 -10.635 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 11 -ATOM 16198 N NZ . LYS A 1 16 ? -4.717 -11.755 -10.643 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 11 -ATOM 16199 H H . LYS A 1 16 ? -5.570 -6.461 -8.050 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 11 -ATOM 16200 H HA . LYS A 1 16 ? -8.235 -6.624 -8.878 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 11 -ATOM 16201 H HB2 . LYS A 1 16 ? -6.543 -8.498 -7.233 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 11 -ATOM 16202 H HB3 . LYS A 1 16 ? -8.147 -8.912 -7.831 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 11 -ATOM 16203 H HG2 . LYS A 1 16 ? -7.457 -8.816 -10.070 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 11 -ATOM 16204 H HG3 . LYS A 1 16 ? -5.966 -7.980 -9.651 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 11 -ATOM 16205 H HD2 . LYS A 1 16 ? -5.110 -9.917 -8.591 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 11 -ATOM 16206 H HD3 . LYS A 1 16 ? -6.622 -10.806 -8.834 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 11 -ATOM 16207 H HE2 . LYS A 1 16 ? -6.339 -10.606 -11.277 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 11 -ATOM 16208 H HE3 . LYS A 1 16 ? -4.853 -9.701 -11.033 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 11 -ATOM 16209 H HZ1 . LYS A 1 16 ? -3.778 -11.671 -10.195 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 11 -ATOM 16210 H HZ2 . LYS A 1 16 ? -4.546 -12.043 -11.627 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 11 -ATOM 16211 H HZ3 . LYS A 1 16 ? -5.246 -12.521 -10.179 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 11 -ATOM 16212 N N . GLU A 1 17 ? -7.792 -6.354 -5.649 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 11 -ATOM 16213 C CA . GLU A 1 17 ? -8.419 -5.979 -4.403 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 11 -ATOM 16214 C C . GLU A 1 17 ? -8.896 -4.509 -4.450 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 11 -ATOM 16215 O O . GLU A 1 17 ? -9.977 -4.189 -3.992 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 11 -ATOM 16216 C CB . GLU A 1 17 ? -7.449 -6.232 -3.252 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 11 -ATOM 16217 C CG . GLU A 1 17 ? -6.998 -7.694 -3.156 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 11 -ATOM 16218 C CD . GLU A 1 17 ? -8.123 -8.649 -2.829 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 11 -ATOM 16219 O OE1 . GLU A 1 17 ? -8.778 -9.146 -3.751 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 11 -ATOM 16220 O OE2 . GLU A 1 17 ? -8.370 -8.909 -1.641 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 11 -ATOM 16221 H H . GLU A 1 17 ? -6.824 -6.529 -5.645 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 11 -ATOM 16222 H HA . GLU A 1 17 ? -9.285 -6.612 -4.278 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 11 -ATOM 16223 H HB2 . GLU A 1 17 ? -6.574 -5.614 -3.392 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 11 -ATOM 16224 H HB3 . GLU A 1 17 ? -7.929 -5.961 -2.323 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 11 -ATOM 16225 H HG2 . GLU A 1 17 ? -6.614 -7.969 -4.127 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 11 -ATOM 16226 H HG3 . GLU A 1 17 ? -6.204 -7.808 -2.435 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 11 -ATOM 16227 N N . TRP A 1 18 ? -8.091 -3.649 -5.053 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 11 -ATOM 16228 C CA . TRP A 1 18 ? -8.386 -2.212 -5.213 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 11 -ATOM 16229 C C . TRP A 1 18 ? -9.667 -2.001 -6.039 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 11 -ATOM 16230 O O . TRP A 1 18 ? -10.511 -1.152 -5.716 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 11 -ATOM 16231 C CB . TRP A 1 18 ? -7.180 -1.537 -5.902 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 11 -ATOM 16232 C CG . TRP A 1 18 ? -7.288 -0.063 -6.139 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 11 -ATOM 16233 C CD1 . TRP A 1 18 ? -7.738 0.552 -7.270 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 11 -ATOM 16234 C CD2 . TRP A 1 18 ? -6.902 0.978 -5.240 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 11 -ATOM 16235 N NE1 . TRP A 1 18 ? -7.671 1.913 -7.119 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 11 -ATOM 16236 C CE2 . TRP A 1 18 ? -7.160 2.202 -5.883 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 11 -ATOM 16237 C CE3 . TRP A 1 18 ? -6.371 0.995 -3.948 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 11 -ATOM 16238 C CZ2 . TRP A 1 18 ? -6.903 3.426 -5.283 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 11 -ATOM 16239 C CZ3 . TRP A 1 18 ? -6.114 2.211 -3.355 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 11 -ATOM 16240 C CH2 . TRP A 1 18 ? -6.380 3.410 -4.020 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 11 -ATOM 16241 H H . TRP A 1 18 ? -7.228 -3.978 -5.391 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 11 -ATOM 16242 H HA . TRP A 1 18 ? -8.517 -1.779 -4.234 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 11 -ATOM 16243 H HB2 . TRP A 1 18 ? -6.301 -1.690 -5.292 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 11 -ATOM 16244 H HB3 . TRP A 1 18 ? -7.023 -2.019 -6.855 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 11 -ATOM 16245 H HD1 . TRP A 1 18 ? -8.092 0.025 -8.144 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 11 -ATOM 16246 H HE1 . TRP A 1 18 ? -7.948 2.570 -7.797 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 11 -ATOM 16247 H HE3 . TRP A 1 18 ? -6.159 0.078 -3.420 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 11 -ATOM 16248 H HZ2 . TRP A 1 18 ? -7.103 4.360 -5.787 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 11 -ATOM 16249 H HZ3 . TRP A 1 18 ? -5.699 2.247 -2.358 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 11 -ATOM 16250 H HH2 . TRP A 1 18 ? -6.162 4.340 -3.516 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 11 -ATOM 16251 N N . ARG A 1 19 ? -9.806 -2.778 -7.097 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 11 -ATOM 16252 C CA . ARG A 1 19 ? -10.980 -2.704 -7.960 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 11 -ATOM 16253 C C . ARG A 1 19 ? -12.190 -3.318 -7.253 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 11 -ATOM 16254 O O . ARG A 1 19 ? -13.336 -2.957 -7.527 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 11 -ATOM 16255 C CB . ARG A 1 19 ? -10.710 -3.394 -9.304 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 11 -ATOM 16256 C CG . ARG A 1 19 ? -9.536 -2.790 -10.071 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 11 -ATOM 16257 C CD . ARG A 1 19 ? -9.233 -3.548 -11.354 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 11 -ATOM 16258 N NE . ARG A 1 19 ? -10.284 -3.385 -12.364 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 11 -ATOM 16259 C CZ . ARG A 1 19 ? -10.338 -4.039 -13.528 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 11 -ATOM 16260 N NH1 . ARG A 1 19 ? -9.486 -5.023 -13.789 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 11 -ATOM 16261 N NH2 . ARG A 1 19 ? -11.272 -3.727 -14.420 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 11 -ATOM 16262 H H . ARG A 1 19 ? -9.078 -3.407 -7.306 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 11 -ATOM 16263 H HA . ARG A 1 19 ? -11.186 -1.658 -8.133 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 11 -ATOM 16264 H HB2 . ARG A 1 19 ? -10.493 -4.437 -9.122 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 11 -ATOM 16265 H HB3 . ARG A 1 19 ? -11.593 -3.323 -9.922 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 11 -ATOM 16266 H HG2 . ARG A 1 19 ? -9.771 -1.766 -10.321 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 11 -ATOM 16267 H HG3 . ARG A 1 19 ? -8.663 -2.809 -9.435 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 11 -ATOM 16268 H HD2 . ARG A 1 19 ? -8.301 -3.184 -11.764 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 11 -ATOM 16269 H HD3 . ARG A 1 19 ? -9.133 -4.598 -11.124 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 11 -ATOM 16270 H HE . ARG A 1 19 ? -10.948 -2.689 -12.151 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 11 -ATOM 16271 H HH11 . ARG A 1 19 ? -8.772 -5.326 -13.153 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 11 -ATOM 16272 H HH12 . ARG A 1 19 ? -9.525 -5.528 -14.657 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 11 -ATOM 16273 H HH21 . ARG A 1 19 ? -11.956 -3.009 -14.255 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 11 -ATOM 16274 H HH22 . ARG A 1 19 ? -11.312 -4.172 -15.320 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 11 -ATOM 16275 N N . LYS A 1 20 ? -11.918 -4.241 -6.342 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 11 -ATOM 16276 C CA . LYS A 1 20 ? -12.944 -4.864 -5.514 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 11 -ATOM 16277 C C . LYS A 1 20 ? -13.454 -3.849 -4.479 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 11 -ATOM 16278 O O . LYS A 1 20 ? -14.640 -3.832 -4.139 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 11 -ATOM 16279 C CB . LYS A 1 20 ? -12.351 -6.082 -4.796 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 11 -ATOM 16280 C CG . LYS A 1 20 ? -13.313 -6.831 -3.892 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 11 -ATOM 16281 C CD . LYS A 1 20 ? -12.568 -7.864 -3.069 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 11 -ATOM 16282 C CE . LYS A 1 20 ? -13.492 -8.625 -2.137 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 11 -ATOM 16283 N NZ . LYS A 1 20 ? -14.429 -9.511 -2.859 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 11 -ATOM 16284 H H . LYS A 1 20 ? -10.984 -4.519 -6.219 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 11 -ATOM 16285 H HA . LYS A 1 20 ? -13.768 -5.183 -6.135 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 11 -ATOM 16286 H HB2 . LYS A 1 20 ? -11.989 -6.777 -5.537 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 11 -ATOM 16287 H HB3 . LYS A 1 20 ? -11.515 -5.747 -4.200 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 11 -ATOM 16288 H HG2 . LYS A 1 20 ? -13.793 -6.127 -3.230 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 11 -ATOM 16289 H HG3 . LYS A 1 20 ? -14.059 -7.328 -4.495 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 11 -ATOM 16290 H HD2 . LYS A 1 20 ? -12.097 -8.566 -3.739 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 11 -ATOM 16291 H HD3 . LYS A 1 20 ? -11.810 -7.363 -2.485 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 11 -ATOM 16292 H HE2 . LYS A 1 20 ? -12.899 -9.217 -1.456 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 11 -ATOM 16293 H HE3 . LYS A 1 20 ? -14.062 -7.896 -1.581 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 11 -ATOM 16294 H HZ1 . LYS A 1 20 ? -15.018 -10.029 -2.175 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 11 -ATOM 16295 H HZ2 . LYS A 1 20 ? -13.903 -10.230 -3.396 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 11 -ATOM 16296 H HZ3 . LYS A 1 20 ? -15.053 -9.003 -3.515 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 11 -ATOM 16297 N N . LEU A 1 21 ? -12.546 -3.011 -3.993 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 11 -ATOM 16298 C CA . LEU A 1 21 ? -12.856 -1.980 -3.014 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 11 -ATOM 16299 C C . LEU A 1 21 ? -13.868 -0.986 -3.523 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 11 -ATOM 16300 O O . LEU A 1 21 ? -13.986 -0.742 -4.737 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 11 -ATOM 16301 C CB . LEU A 1 21 ? -11.595 -1.233 -2.574 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 11 -ATOM 16302 C CG . LEU A 1 21 ? -11.023 -1.578 -1.201 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 11 -ATOM 16303 C CD1 . LEU A 1 21 ? -10.671 -3.049 -1.083 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 11 -ATOM 16304 C CD2 . LEU A 1 21 ? -9.816 -0.721 -0.930 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 11 -ATOM 16305 H H . LEU A 1 21 ? -11.617 -3.096 -4.298 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 11 -ATOM 16306 H HA . LEU A 1 21 ? -13.269 -2.470 -2.145 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 11 -ATOM 16307 H HB2 . LEU A 1 21 ? -10.828 -1.420 -3.311 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 11 -ATOM 16308 H HB3 . LEU A 1 21 ? -11.820 -0.175 -2.586 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 11 -ATOM 16309 H HG . LEU A 1 21 ? -11.758 -1.348 -0.443 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 11 -ATOM 16310 H HD11 . LEU A 1 21 ? -10.273 -3.244 -0.099 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 11 -ATOM 16311 H HD12 . LEU A 1 21 ? -9.936 -3.304 -1.833 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 11 -ATOM 16312 H HD13 . LEU A 1 21 ? -11.564 -3.637 -1.236 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 11 -ATOM 16313 H HD21 . LEU A 1 21 ? -9.406 -0.962 0.038 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 11 -ATOM 16314 H HD22 . LEU A 1 21 ? -10.122 0.315 -0.944 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 11 -ATOM 16315 H HD23 . LEU A 1 21 ? -9.073 -0.891 -1.695 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 11 -ATOM 16316 N N . GLY A 1 22 ? -14.584 -0.415 -2.597 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 11 -ATOM 16317 C CA . GLY A 1 22 ? -15.575 0.563 -2.915 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 11 -ATOM 16318 C C . GLY A 1 22 ? -14.934 1.867 -3.295 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 11 -ATOM 16319 O O . GLY A 1 22 ? -13.801 2.152 -2.864 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 11 -ATOM 16320 H H . GLY A 1 22 ? -14.413 -0.651 -1.663 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 11 -ATOM 16321 H HA2 . GLY A 1 22 ? -16.172 0.204 -3.741 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 11 -ATOM 16322 H HA3 . GLY A 1 22 ? -16.210 0.717 -2.057 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 11 -ATOM 16323 N N . SER A 1 23 ? -15.651 2.656 -4.055 1.00 0.00 ? ? ? ? ? ? 20 SER A N 11 -ATOM 16324 C CA . SER A 1 23 ? -15.175 3.907 -4.604 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 11 -ATOM 16325 C C . SER A 1 23 ? -14.662 4.869 -3.530 1.00 0.00 ? ? ? ? ? ? 20 SER A C 11 -ATOM 16326 O O . SER A 1 23 ? -13.519 5.292 -3.577 1.00 0.00 ? ? ? ? ? ? 20 SER A O 11 -ATOM 16327 C CB . SER A 1 23 ? -16.311 4.512 -5.406 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 11 -ATOM 16328 O OG . SER A 1 23 ? -17.543 4.300 -4.721 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 11 -ATOM 16329 H H . SER A 1 23 ? -16.588 2.436 -4.246 1.00 0.00 ? ? ? ? ? ? 20 SER A H 11 -ATOM 16330 H HA . SER A 1 23 ? -14.369 3.685 -5.286 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 11 -ATOM 16331 H HB2 . SER A 1 23 ? -16.149 5.573 -5.516 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 11 -ATOM 16332 H HB3 . SER A 1 23 ? -16.368 4.045 -6.377 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 11 -ATOM 16333 H HG . SER A 1 23 ? -18.244 4.723 -5.232 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 11 -ATOM 16334 N N . THR A 1 24 ? -15.487 5.133 -2.556 1.00 0.00 ? ? ? ? ? ? 21 THR A N 11 -ATOM 16335 C CA . THR A 1 24 ? -15.198 6.051 -1.465 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 11 -ATOM 16336 C C . THR A 1 24 ? -13.928 5.625 -0.712 1.00 0.00 ? ? ? ? ? ? 21 THR A C 11 -ATOM 16337 O O . THR A 1 24 ? -13.054 6.449 -0.415 1.00 0.00 ? ? ? ? ? ? 21 THR A O 11 -ATOM 16338 C CB . THR A 1 24 ? -16.394 6.062 -0.490 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 11 -ATOM 16339 O OG1 . THR A 1 24 ? -17.612 6.240 -1.241 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 11 -ATOM 16340 C CG2 . THR A 1 24 ? -16.266 7.185 0.532 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 11 -ATOM 16341 H H . THR A 1 24 ? -16.353 4.681 -2.568 1.00 0.00 ? ? ? ? ? ? 21 THR A H 11 -ATOM 16342 H HA . THR A 1 24 ? -15.074 7.045 -1.868 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 11 -ATOM 16343 H HB . THR A 1 24 ? -16.431 5.112 0.022 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 11 -ATOM 16344 H HG1 . THR A 1 24 ? -17.876 7.161 -1.150 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 11 -ATOM 16345 H HG21 . THR A 1 24 ? -16.214 8.133 0.019 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 11 -ATOM 16346 H HG22 . THR A 1 24 ? -15.365 7.040 1.110 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 11 -ATOM 16347 H HG23 . THR A 1 24 ? -17.123 7.177 1.189 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 11 -ATOM 16348 N N . VAL A 1 25 ? -13.806 4.331 -0.482 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 11 -ATOM 16349 C CA . VAL A 1 25 ? -12.692 3.791 0.265 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 11 -ATOM 16350 C C . VAL A 1 25 ? -11.412 3.942 -0.532 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 11 -ATOM 16351 O O . VAL A 1 25 ? -10.411 4.453 -0.027 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 11 -ATOM 16352 C CB . VAL A 1 25 ? -12.913 2.285 0.580 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 11 -ATOM 16353 C CG1 . VAL A 1 25 ? -11.729 1.699 1.323 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 11 -ATOM 16354 C CG2 . VAL A 1 25 ? -14.187 2.078 1.376 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 11 -ATOM 16355 H H . VAL A 1 25 ? -14.485 3.727 -0.852 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 11 -ATOM 16356 H HA . VAL A 1 25 ? -12.596 4.331 1.196 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 11 -ATOM 16357 H HB . VAL A 1 25 ? -13.012 1.761 -0.359 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 11 -ATOM 16358 H HG11 . VAL A 1 25 ? -11.905 0.649 1.510 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 11 -ATOM 16359 H HG12 . VAL A 1 25 ? -11.599 2.214 2.263 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 11 -ATOM 16360 H HG13 . VAL A 1 25 ? -10.837 1.813 0.725 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 11 -ATOM 16361 H HG21 . VAL A 1 25 ? -14.104 2.599 2.318 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 11 -ATOM 16362 H HG22 . VAL A 1 25 ? -14.339 1.025 1.560 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 11 -ATOM 16363 H HG23 . VAL A 1 25 ? -15.024 2.474 0.823 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 11 -ATOM 16364 N N . ARG A 1 26 ? -11.460 3.554 -1.784 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 11 -ATOM 16365 C CA . ARG A 1 26 ? -10.295 3.632 -2.613 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 11 -ATOM 16366 C C . ARG A 1 26 ? -9.890 5.068 -2.925 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 11 -ATOM 16367 O O . ARG A 1 26 ? -8.706 5.359 -3.023 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 11 -ATOM 16368 C CB . ARG A 1 26 ? -10.377 2.776 -3.863 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 11 -ATOM 16369 C CG . ARG A 1 26 ? -11.546 3.055 -4.770 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 11 -ATOM 16370 C CD . ARG A 1 26 ? -11.257 2.468 -6.128 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 11 -ATOM 16371 N NE . ARG A 1 26 ? -12.362 2.616 -7.080 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 11 -ATOM 16372 C CZ . ARG A 1 26 ? -13.005 1.586 -7.669 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 11 -ATOM 16373 N NH1 . ARG A 1 26 ? -12.790 0.328 -7.264 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 11 -ATOM 16374 N NH2 . ARG A 1 26 ? -13.882 1.818 -8.641 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 11 -ATOM 16375 H H . ARG A 1 26 ? -12.311 3.216 -2.145 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 11 -ATOM 16376 H HA . ARG A 1 26 ? -9.502 3.240 -1.991 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 11 -ATOM 16377 H HB2 . ARG A 1 26 ? -9.475 2.916 -4.439 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 11 -ATOM 16378 H HB3 . ARG A 1 26 ? -10.434 1.739 -3.562 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 11 -ATOM 16379 H HG2 . ARG A 1 26 ? -12.387 2.529 -4.338 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 11 -ATOM 16380 H HG3 . ARG A 1 26 ? -11.787 4.109 -4.807 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 11 -ATOM 16381 H HD2 . ARG A 1 26 ? -10.391 2.998 -6.501 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 11 -ATOM 16382 H HD3 . ARG A 1 26 ? -11.010 1.423 -6.011 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 11 -ATOM 16383 H HE . ARG A 1 26 ? -12.569 3.551 -7.319 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 11 -ATOM 16384 H HH11 . ARG A 1 26 ? -12.154 0.087 -6.523 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 11 -ATOM 16385 H HH12 . ARG A 1 26 ? -13.278 -0.442 -7.683 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 11 -ATOM 16386 H HH21 . ARG A 1 26 ? -14.089 2.747 -8.969 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 11 -ATOM 16387 H HH22 . ARG A 1 26 ? -14.380 1.087 -9.118 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 11 -ATOM 16388 N N . GLU A 1 27 ? -10.867 5.960 -3.087 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 11 -ATOM 16389 C CA . GLU A 1 27 ? -10.568 7.362 -3.340 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 11 -ATOM 16390 C C . GLU A 1 27 ? -9.762 7.965 -2.215 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 11 -ATOM 16391 O O . GLU A 1 27 ? -8.751 8.631 -2.462 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 11 -ATOM 16392 C CB . GLU A 1 27 ? -11.818 8.198 -3.591 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 11 -ATOM 16393 C CG . GLU A 1 27 ? -12.508 7.905 -4.904 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 11 -ATOM 16394 C CD . GLU A 1 27 ? -13.527 8.952 -5.260 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 11 -ATOM 16395 O OE1 . GLU A 1 27 ? -14.629 8.985 -4.656 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 11 -ATOM 16396 O OE2 . GLU A 1 27 ? -13.246 9.774 -6.160 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 11 -ATOM 16397 H H . GLU A 1 27 ? -11.808 5.673 -3.045 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 11 -ATOM 16398 H HA . GLU A 1 27 ? -9.952 7.387 -4.228 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 11 -ATOM 16399 H HB2 . GLU A 1 27 ? -12.519 7.954 -2.804 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 11 -ATOM 16400 H HB3 . GLU A 1 27 ? -11.568 9.248 -3.549 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 11 -ATOM 16401 H HG2 . GLU A 1 27 ? -11.766 7.867 -5.688 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 11 -ATOM 16402 H HG3 . GLU A 1 27 ? -13.003 6.948 -4.830 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 11 -ATOM 16403 N N . GLN A 1 28 ? -10.162 7.699 -0.983 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 11 -ATOM 16404 C CA . GLN A 1 28 ? -9.448 8.233 0.145 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 11 -ATOM 16405 C C . GLN A 1 28 ? -8.088 7.566 0.319 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 11 -ATOM 16406 O O . GLN A 1 28 ? -7.113 8.217 0.712 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 11 -ATOM 16407 C CB . GLN A 1 28 ? -10.282 8.239 1.426 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 11 -ATOM 16408 C CG . GLN A 1 28 ? -11.191 9.469 1.603 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 11 -ATOM 16409 C CD . GLN A 1 28 ? -12.181 9.701 0.475 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 11 -ATOM 16410 O OE1 . GLN A 1 28 ? -11.884 10.393 -0.507 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 11 -ATOM 16411 N NE2 . GLN A 1 28 ? -13.364 9.185 0.619 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 11 -ATOM 16412 H H . GLN A 1 28 ? -10.933 7.107 -0.814 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 11 -ATOM 16413 H HA . GLN A 1 28 ? -9.235 9.257 -0.129 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 11 -ATOM 16414 H HB2 . GLN A 1 28 ? -10.895 7.351 1.462 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 11 -ATOM 16415 H HB3 . GLN A 1 28 ? -9.586 8.225 2.248 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 11 -ATOM 16416 H HG2 . GLN A 1 28 ? -11.757 9.340 2.513 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 11 -ATOM 16417 H HG3 . GLN A 1 28 ? -10.564 10.343 1.701 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 11 -ATOM 16418 H HE21 . GLN A 1 28 ? -13.560 8.685 1.443 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 11 -ATOM 16419 H HE22 . GLN A 1 28 ? -14.012 9.296 -0.106 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 11 -ATOM 16420 N N . LEU A 1 29 ? -8.015 6.276 0.006 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 11 -ATOM 16421 C CA . LEU A 1 29 ? -6.740 5.559 0.025 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 11 -ATOM 16422 C C . LEU A 1 29 ? -5.783 6.150 -1.003 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 11 -ATOM 16423 O O . LEU A 1 29 ? -4.608 6.359 -0.711 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 11 -ATOM 16424 C CB . LEU A 1 29 ? -6.923 4.068 -0.244 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 11 -ATOM 16425 C CG . LEU A 1 29 ? -7.656 3.256 0.833 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 11 -ATOM 16426 C CD1 . LEU A 1 29 ? -7.786 1.820 0.399 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 11 -ATOM 16427 C CD2 . LEU A 1 29 ? -6.918 3.331 2.162 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 11 -ATOM 16428 H H . LEU A 1 29 ? -8.839 5.794 -0.225 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 11 -ATOM 16429 H HA . LEU A 1 29 ? -6.305 5.693 1.004 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 11 -ATOM 16430 H HB2 . LEU A 1 29 ? -7.467 3.984 -1.174 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 11 -ATOM 16431 H HB3 . LEU A 1 29 ? -5.943 3.637 -0.388 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 11 -ATOM 16432 H HG . LEU A 1 29 ? -8.657 3.636 0.972 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 11 -ATOM 16433 H HD11 . LEU A 1 29 ? -8.331 1.266 1.149 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 11 -ATOM 16434 H HD12 . LEU A 1 29 ? -6.802 1.391 0.284 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 11 -ATOM 16435 H HD13 . LEU A 1 29 ? -8.315 1.770 -0.541 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 11 -ATOM 16436 H HD21 . LEU A 1 29 ? -6.904 4.349 2.520 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 11 -ATOM 16437 H HD22 . LEU A 1 29 ? -5.902 2.991 2.026 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 11 -ATOM 16438 H HD23 . LEU A 1 29 ? -7.415 2.697 2.882 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 11 -ATOM 16439 N N . LYS A 1 30 ? -6.297 6.425 -2.205 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 11 -ATOM 16440 C CA . LYS A 1 30 ? -5.513 7.048 -3.268 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 11 -ATOM 16441 C C . LYS A 1 30 ? -4.923 8.379 -2.790 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 11 -ATOM 16442 O O . LYS A 1 30 ? -3.754 8.697 -3.069 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 11 -ATOM 16443 C CB . LYS A 1 30 ? -6.382 7.307 -4.495 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 11 -ATOM 16444 C CG . LYS A 1 30 ? -5.601 7.896 -5.659 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 11 -ATOM 16445 C CD . LYS A 1 30 ? -6.497 8.412 -6.775 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 11 -ATOM 16446 C CE . LYS A 1 30 ? -7.206 9.694 -6.365 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 11 -ATOM 16447 N NZ . LYS A 1 30 ? -8.026 10.251 -7.457 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 11 -ATOM 16448 H H . LYS A 1 30 ? -7.230 6.164 -2.398 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 11 -ATOM 16449 H HA . LYS A 1 30 ? -4.711 6.377 -3.540 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 11 -ATOM 16450 H HB2 . LYS A 1 30 ? -6.816 6.369 -4.806 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 11 -ATOM 16451 H HB3 . LYS A 1 30 ? -7.173 7.985 -4.214 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 11 -ATOM 16452 H HG2 . LYS A 1 30 ? -5.038 8.726 -5.259 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 11 -ATOM 16453 H HG3 . LYS A 1 30 ? -4.925 7.147 -6.046 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 11 -ATOM 16454 H HD2 . LYS A 1 30 ? -5.903 8.600 -7.658 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 11 -ATOM 16455 H HD3 . LYS A 1 30 ? -7.239 7.660 -6.993 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 11 -ATOM 16456 H HE2 . LYS A 1 30 ? -7.846 9.489 -5.520 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 11 -ATOM 16457 H HE3 . LYS A 1 30 ? -6.457 10.421 -6.079 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 11 -ATOM 16458 H HZ1 . LYS A 1 30 ? -8.510 11.116 -7.137 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 11 -ATOM 16459 H HZ2 . LYS A 1 30 ? -8.765 9.585 -7.761 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 11 -ATOM 16460 H HZ3 . LYS A 1 30 ? -7.430 10.504 -8.271 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 11 -ATOM 16461 N N . LYS A 1 31 ? -5.742 9.146 -2.087 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 11 -ATOM 16462 C CA . LYS A 1 31 ? -5.325 10.419 -1.507 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 11 -ATOM 16463 C C . LYS A 1 31 ? -4.183 10.213 -0.526 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 11 -ATOM 16464 O O . LYS A 1 31 ? -3.189 10.934 -0.567 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 11 -ATOM 16465 C CB . LYS A 1 31 ? -6.491 11.116 -0.821 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 11 -ATOM 16466 C CG . LYS A 1 31 ? -7.603 11.497 -1.761 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 11 -ATOM 16467 C CD . LYS A 1 31 ? -8.782 12.085 -1.020 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 11 -ATOM 16468 C CE . LYS A 1 31 ? -9.879 12.425 -1.992 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 11 -ATOM 16469 N NZ . LYS A 1 31 ? -11.090 12.927 -1.334 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 11 -ATOM 16470 H H . LYS A 1 31 ? -6.667 8.836 -1.974 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 11 -ATOM 16471 H HA . LYS A 1 31 ? -4.978 11.039 -2.321 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 11 -ATOM 16472 H HB2 . LYS A 1 31 ? -6.894 10.464 -0.060 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 11 -ATOM 16473 H HB3 . LYS A 1 31 ? -6.121 12.018 -0.357 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 11 -ATOM 16474 H HG2 . LYS A 1 31 ? -7.231 12.229 -2.462 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 11 -ATOM 16475 H HG3 . LYS A 1 31 ? -7.925 10.617 -2.298 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 11 -ATOM 16476 H HD2 . LYS A 1 31 ? -9.151 11.371 -0.298 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 11 -ATOM 16477 H HD3 . LYS A 1 31 ? -8.467 12.986 -0.515 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 11 -ATOM 16478 H HE2 . LYS A 1 31 ? -9.514 13.175 -2.677 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 11 -ATOM 16479 H HE3 . LYS A 1 31 ? -10.128 11.530 -2.543 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 11 -ATOM 16480 H HZ1 . LYS A 1 31 ? -11.774 13.212 -2.063 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 11 -ATOM 16481 H HZ2 . LYS A 1 31 ? -10.901 13.749 -0.726 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 11 -ATOM 16482 H HZ3 . LYS A 1 31 ? -11.531 12.165 -0.775 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 11 -ATOM 16483 N N . LYS A 1 32 ? -4.319 9.209 0.332 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 11 -ATOM 16484 C CA . LYS A 1 32 ? -3.264 8.857 1.274 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 11 -ATOM 16485 C C . LYS A 1 32 ? -1.988 8.480 0.571 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 11 -ATOM 16486 O O . LYS A 1 32 ? -0.906 8.847 1.004 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 11 -ATOM 16487 C CB . LYS A 1 32 ? -3.695 7.764 2.250 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 11 -ATOM 16488 C CG . LYS A 1 32 ? -4.127 8.302 3.604 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 11 -ATOM 16489 C CD . LYS A 1 32 ? -5.330 9.209 3.515 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 11 -ATOM 16490 C CE . LYS A 1 32 ? -5.565 9.913 4.836 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 11 -ATOM 16491 N NZ . LYS A 1 32 ? -4.458 10.851 5.164 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 11 -ATOM 16492 H H . LYS A 1 32 ? -5.158 8.699 0.334 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 11 -ATOM 16493 H HA . LYS A 1 32 ? -3.058 9.750 1.842 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 11 -ATOM 16494 H HB2 . LYS A 1 32 ? -4.522 7.219 1.820 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 11 -ATOM 16495 H HB3 . LYS A 1 32 ? -2.866 7.087 2.399 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 11 -ATOM 16496 H HG2 . LYS A 1 32 ? -4.387 7.474 4.248 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 11 -ATOM 16497 H HG3 . LYS A 1 32 ? -3.305 8.851 4.038 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 11 -ATOM 16498 H HD2 . LYS A 1 32 ? -5.154 9.942 2.743 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 11 -ATOM 16499 H HD3 . LYS A 1 32 ? -6.200 8.621 3.266 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 11 -ATOM 16500 H HE2 . LYS A 1 32 ? -6.502 10.446 4.813 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 11 -ATOM 16501 H HE3 . LYS A 1 32 ? -5.589 9.136 5.589 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 11 -ATOM 16502 H HZ1 . LYS A 1 32 ? -3.582 10.325 5.348 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 11 -ATOM 16503 H HZ2 . LYS A 1 32 ? -4.658 11.423 6.009 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 11 -ATOM 16504 H HZ3 . LYS A 1 32 ? -4.252 11.511 4.380 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 11 -ATOM 16505 N N . LEU A 1 33 ? -2.121 7.787 -0.524 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 11 -ATOM 16506 C CA . LEU A 1 33 ? -0.985 7.388 -1.312 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 11 -ATOM 16507 C C . LEU A 1 33 ? -0.286 8.592 -1.922 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 11 -ATOM 16508 O O . LEU A 1 33 ? 0.928 8.708 -1.848 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 11 -ATOM 16509 C CB . LEU A 1 33 ? -1.403 6.417 -2.404 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 11 -ATOM 16510 C CG . LEU A 1 33 ? -2.010 5.110 -1.933 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 11 -ATOM 16511 C CD1 . LEU A 1 33 ? -2.402 4.257 -3.119 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 11 -ATOM 16512 C CD2 . LEU A 1 33 ? -1.043 4.370 -1.025 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 11 -ATOM 16513 H H . LEU A 1 33 ? -3.027 7.514 -0.791 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 11 -ATOM 16514 H HA . LEU A 1 33 ? -0.290 6.886 -0.655 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 11 -ATOM 16515 H HB2 . LEU A 1 33 ? -2.133 6.916 -3.023 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 11 -ATOM 16516 H HB3 . LEU A 1 33 ? -0.537 6.192 -3.008 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 11 -ATOM 16517 H HG . LEU A 1 33 ? -2.908 5.324 -1.368 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 11 -ATOM 16518 H HD11 . LEU A 1 33 ? -3.111 4.795 -3.730 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 11 -ATOM 16519 H HD12 . LEU A 1 33 ? -2.852 3.338 -2.776 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 11 -ATOM 16520 H HD13 . LEU A 1 33 ? -1.524 4.033 -3.704 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 11 -ATOM 16521 H HD21 . LEU A 1 33 ? -1.474 3.425 -0.737 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 11 -ATOM 16522 H HD22 . LEU A 1 33 ? -0.871 4.963 -0.139 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 11 -ATOM 16523 H HD23 . LEU A 1 33 ? -0.109 4.203 -1.540 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 11 -ATOM 16524 N N . VAL A 1 34 ? -1.052 9.502 -2.501 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 11 -ATOM 16525 C CA . VAL A 1 34 ? -0.451 10.647 -3.156 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 11 -ATOM 16526 C C . VAL A 1 34 ? 0.194 11.612 -2.141 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 11 -ATOM 16527 O O . VAL A 1 34 ? 1.272 12.161 -2.400 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 11 -ATOM 16528 C CB . VAL A 1 34 ? -1.416 11.380 -4.146 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 11 -ATOM 16529 C CG1 . VAL A 1 34 ? -2.562 12.087 -3.442 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 11 -ATOM 16530 C CG2 . VAL A 1 34 ? -0.649 12.328 -5.044 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 11 -ATOM 16531 H H . VAL A 1 34 ? -2.029 9.403 -2.458 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 11 -ATOM 16532 H HA . VAL A 1 34 ? 0.370 10.231 -3.724 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 11 -ATOM 16533 H HB . VAL A 1 34 ? -1.863 10.625 -4.774 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 11 -ATOM 16534 H HG11 . VAL A 1 34 ? -2.166 12.855 -2.794 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 11 -ATOM 16535 H HG12 . VAL A 1 34 ? -3.096 11.364 -2.845 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 11 -ATOM 16536 H HG13 . VAL A 1 34 ? -3.227 12.526 -4.170 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 11 -ATOM 16537 H HG21 . VAL A 1 34 ? -0.140 13.056 -4.431 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 11 -ATOM 16538 H HG22 . VAL A 1 34 ? -1.340 12.834 -5.701 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 11 -ATOM 16539 H HG23 . VAL A 1 34 ? 0.072 11.778 -5.629 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 11 -ATOM 16540 N N . GLU A 1 35 ? -0.441 11.793 -0.977 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 11 -ATOM 16541 C CA . GLU A 1 35 ? 0.132 12.647 0.046 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 11 -ATOM 16542 C C . GLU A 1 35 ? 1.400 12.015 0.632 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 11 -ATOM 16543 O O . GLU A 1 35 ? 2.427 12.696 0.804 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 11 -ATOM 16544 C CB . GLU A 1 35 ? -0.870 12.997 1.171 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 11 -ATOM 16545 C CG . GLU A 1 35 ? -1.431 11.798 1.900 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 11 -ATOM 16546 C CD . GLU A 1 35 ? -2.175 12.139 3.158 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 11 -ATOM 16547 O OE1 . GLU A 1 35 ? -1.540 12.180 4.229 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 11 -ATOM 16548 O OE2 . GLU A 1 35 ? -3.409 12.345 3.116 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 11 -ATOM 16549 H H . GLU A 1 35 ? -1.308 11.354 -0.813 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 11 -ATOM 16550 H HA . GLU A 1 35 ? 0.425 13.556 -0.460 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 11 -ATOM 16551 H HB2 . GLU A 1 35 ? -0.376 13.626 1.897 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 11 -ATOM 16552 H HB3 . GLU A 1 35 ? -1.693 13.543 0.735 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 11 -ATOM 16553 H HG2 . GLU A 1 35 ? -2.113 11.308 1.223 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 11 -ATOM 16554 H HG3 . GLU A 1 35 ? -0.619 11.125 2.136 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 11 -ATOM 16555 N N . VAL A 1 36 ? 1.340 10.710 0.882 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 11 -ATOM 16556 C CA . VAL A 1 36 ? 2.424 9.975 1.499 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 11 -ATOM 16557 C C . VAL A 1 36 ? 3.680 9.992 0.627 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 11 -ATOM 16558 O O . VAL A 1 36 ? 4.769 9.966 1.135 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 11 -ATOM 16559 C CB . VAL A 1 36 ? 2.040 8.529 1.949 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 11 -ATOM 16560 C CG1 . VAL A 1 36 ? 2.119 7.500 0.828 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 11 -ATOM 16561 C CG2 . VAL A 1 36 ? 2.842 8.112 3.166 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 11 -ATOM 16562 H H . VAL A 1 36 ? 0.520 10.212 0.664 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 11 -ATOM 16563 H HA . VAL A 1 36 ? 2.676 10.551 2.379 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 11 -ATOM 16564 H HB . VAL A 1 36 ? 1.001 8.571 2.245 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 11 -ATOM 16565 H HG11 . VAL A 1 36 ? 3.134 7.441 0.465 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 11 -ATOM 16566 H HG12 . VAL A 1 36 ? 1.472 7.807 0.019 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 11 -ATOM 16567 H HG13 . VAL A 1 36 ? 1.807 6.534 1.196 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 11 -ATOM 16568 H HG21 . VAL A 1 36 ? 2.630 7.084 3.418 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 11 -ATOM 16569 H HG22 . VAL A 1 36 ? 2.572 8.745 3.999 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 11 -ATOM 16570 H HG23 . VAL A 1 36 ? 3.892 8.231 2.955 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 11 -ATOM 16571 N N . LEU A 1 37 ? 3.494 10.082 -0.696 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 11 -ATOM 16572 C CA . LEU A 1 37 ? 4.594 10.070 -1.682 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 11 -ATOM 16573 C C . LEU A 1 37 ? 5.683 11.106 -1.395 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 11 -ATOM 16574 O O . LEU A 1 37 ? 6.818 10.928 -1.845 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 11 -ATOM 16575 C CB . LEU A 1 37 ? 4.073 10.289 -3.115 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 11 -ATOM 16576 C CG . LEU A 1 37 ? 3.236 9.168 -3.729 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 11 -ATOM 16577 C CD1 . LEU A 1 37 ? 2.738 9.569 -5.109 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 11 -ATOM 16578 C CD2 . LEU A 1 37 ? 4.050 7.890 -3.816 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 11 -ATOM 16579 H H . LEU A 1 37 ? 2.572 10.128 -1.025 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 11 -ATOM 16580 H HA . LEU A 1 37 ? 5.049 9.092 -1.641 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 11 -ATOM 16581 H HB2 . LEU A 1 37 ? 3.476 11.189 -3.116 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 11 -ATOM 16582 H HB3 . LEU A 1 37 ? 4.928 10.455 -3.753 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 11 -ATOM 16583 H HG . LEU A 1 37 ? 2.376 8.981 -3.102 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 11 -ATOM 16584 H HD11 . LEU A 1 37 ? 2.127 8.776 -5.514 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 11 -ATOM 16585 H HD12 . LEU A 1 37 ? 3.584 9.733 -5.761 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 11 -ATOM 16586 H HD13 . LEU A 1 37 ? 2.156 10.475 -5.038 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 11 -ATOM 16587 H HD21 . LEU A 1 37 ? 4.966 8.081 -4.353 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 11 -ATOM 16588 H HD22 . LEU A 1 37 ? 3.485 7.147 -4.360 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 11 -ATOM 16589 H HD23 . LEU A 1 37 ? 4.274 7.521 -2.826 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 11 -ATOM 16590 N N . GLU A 1 38 ? 5.347 12.194 -0.685 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 11 -ATOM 16591 C CA . GLU A 1 38 ? 6.354 13.206 -0.353 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 11 -ATOM 16592 C C . GLU A 1 38 ? 7.421 12.622 0.608 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 11 -ATOM 16593 O O . GLU A 1 38 ? 8.585 13.013 0.576 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 11 -ATOM 16594 C CB . GLU A 1 38 ? 5.723 14.458 0.278 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 11 -ATOM 16595 C CG . GLU A 1 38 ? 5.110 14.233 1.653 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 11 -ATOM 16596 C CD . GLU A 1 38 ? 4.654 15.507 2.309 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 11 -ATOM 16597 O OE1 . GLU A 1 38 ? 5.495 16.300 2.737 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 11 -ATOM 16598 O OE2 . GLU A 1 38 ? 3.435 15.724 2.451 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 11 -ATOM 16599 H H . GLU A 1 38 ? 4.420 12.301 -0.375 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 11 -ATOM 16600 H HA . GLU A 1 38 ? 6.846 13.481 -1.275 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 11 -ATOM 16601 H HB2 . GLU A 1 38 ? 6.486 15.216 0.373 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 11 -ATOM 16602 H HB3 . GLU A 1 38 ? 4.950 14.826 -0.382 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 11 -ATOM 16603 H HG2 . GLU A 1 38 ? 4.259 13.576 1.550 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 11 -ATOM 16604 H HG3 . GLU A 1 38 ? 5.848 13.762 2.285 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 11 -ATOM 16605 N N . SER A 1 39 ? 7.007 11.677 1.429 1.00 0.00 ? ? ? ? ? ? 36 SER A N 11 -ATOM 16606 C CA . SER A 1 39 ? 7.858 11.040 2.396 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 11 -ATOM 16607 C C . SER A 1 39 ? 7.211 9.734 2.834 1.00 0.00 ? ? ? ? ? ? 36 SER A C 11 -ATOM 16608 O O . SER A 1 39 ? 6.608 9.667 3.869 1.00 0.00 ? ? ? ? ? ? 36 SER A O 11 -ATOM 16609 C CB . SER A 1 39 ? 8.115 11.981 3.599 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 11 -ATOM 16610 O OG . SER A 1 39 ? 8.913 11.357 4.596 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 11 -ATOM 16611 H H . SER A 1 39 ? 6.078 11.360 1.374 1.00 0.00 ? ? ? ? ? ? 36 SER A H 11 -ATOM 16612 H HA . SER A 1 39 ? 8.797 10.782 1.937 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 11 -ATOM 16613 H HB2 . SER A 1 39 ? 8.625 12.868 3.255 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 11 -ATOM 16614 H HB3 . SER A 1 39 ? 7.168 12.259 4.036 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 11 -ATOM 16615 H HG . SER A 1 39 ? 8.245 10.994 5.193 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 11 -ATOM 16616 N N . PRO A 1 40 ? 7.265 8.691 1.993 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 11 -ATOM 16617 C CA . PRO A 1 40 ? 6.606 7.430 2.287 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 11 -ATOM 16618 C C . PRO A 1 40 ? 7.410 6.490 3.184 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 11 -ATOM 16619 O O . PRO A 1 40 ? 6.877 5.502 3.677 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 11 -ATOM 16620 C CB . PRO A 1 40 ? 6.380 6.837 0.908 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 11 -ATOM 16621 C CG . PRO A 1 40 ? 7.523 7.339 0.100 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 11 -ATOM 16622 C CD . PRO A 1 40 ? 7.882 8.687 0.657 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 11 -ATOM 16623 H HA . PRO A 1 40 ? 5.651 7.595 2.759 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 11 -ATOM 16624 H HB2 . PRO A 1 40 ? 6.367 5.760 0.966 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 11 -ATOM 16625 H HB3 . PRO A 1 40 ? 5.440 7.192 0.510 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 11 -ATOM 16626 H HG2 . PRO A 1 40 ? 8.361 6.666 0.196 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 11 -ATOM 16627 H HG3 . PRO A 1 40 ? 7.234 7.428 -0.937 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 11 -ATOM 16628 H HD2 . PRO A 1 40 ? 8.954 8.808 0.724 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 11 -ATOM 16629 H HD3 . PRO A 1 40 ? 7.444 9.461 0.042 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 11 -ATOM 16630 N N . ARG A 1 41 ? 8.671 6.814 3.435 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 11 -ATOM 16631 C CA . ARG A 1 41 ? 9.524 5.980 4.293 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 11 -ATOM 16632 C C . ARG A 1 41 ? 9.260 6.238 5.791 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 11 -ATOM 16633 O O . ARG A 1 41 ? 10.161 6.205 6.610 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 11 -ATOM 16634 C CB . ARG A 1 41 ? 11.033 6.117 3.896 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 11 -ATOM 16635 C CG . ARG A 1 41 ? 11.609 7.546 3.755 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 11 -ATOM 16636 C CD . ARG A 1 41 ? 11.828 8.274 5.088 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 11 -ATOM 16637 N NE . ARG A 1 41 ? 12.821 7.608 5.967 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 11 -ATOM 16638 C CZ . ARG A 1 41 ? 12.813 7.680 7.319 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 11 -ATOM 16639 N NH1 . ARG A 1 41 ? 11.891 8.391 7.942 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 11 -ATOM 16640 N NH2 . ARG A 1 41 ? 13.730 7.053 8.030 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 11 -ATOM 16641 H H . ARG A 1 41 ? 9.021 7.637 3.037 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 11 -ATOM 16642 H HA . ARG A 1 41 ? 9.210 4.964 4.103 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 11 -ATOM 16643 H HB2 . ARG A 1 41 ? 11.621 5.609 4.645 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 11 -ATOM 16644 H HB3 . ARG A 1 41 ? 11.172 5.603 2.955 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 11 -ATOM 16645 H HG2 . ARG A 1 41 ? 12.550 7.489 3.231 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 11 -ATOM 16646 H HG3 . ARG A 1 41 ? 10.921 8.122 3.152 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 11 -ATOM 16647 H HD2 . ARG A 1 41 ? 12.165 9.281 4.887 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 11 -ATOM 16648 H HD3 . ARG A 1 41 ? 10.881 8.314 5.603 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 11 -ATOM 16649 H HE . ARG A 1 41 ? 13.520 7.090 5.508 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 11 -ATOM 16650 H HH11 . ARG A 1 41 ? 11.177 8.885 7.443 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 11 -ATOM 16651 H HH12 . ARG A 1 41 ? 11.875 8.500 8.942 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 11 -ATOM 16652 H HH21 . ARG A 1 41 ? 14.473 6.527 7.608 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 11 -ATOM 16653 H HH22 . ARG A 1 41 ? 13.683 7.047 9.038 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 11 -ATOM 16654 N N . ILE A 1 42 ? 7.998 6.338 6.141 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 11 -ATOM 16655 C CA . ILE A 1 42 ? 7.589 6.695 7.483 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 11 -ATOM 16656 C C . ILE A 1 42 ? 7.643 5.485 8.383 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 11 -ATOM 16657 O O . ILE A 1 42 ? 6.767 4.628 8.366 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 11 -ATOM 16658 C CB . ILE A 1 42 ? 6.168 7.311 7.492 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 11 -ATOM 16659 C CG1 . ILE A 1 42 ? 6.169 8.558 6.623 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 11 -ATOM 16660 C CG2 . ILE A 1 42 ? 5.727 7.651 8.918 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 11 -ATOM 16661 C CD1 . ILE A 1 42 ? 4.814 9.181 6.401 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 11 -ATOM 16662 H H . ILE A 1 42 ? 7.317 6.140 5.461 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 11 -ATOM 16663 H HA . ILE A 1 42 ? 8.288 7.430 7.848 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 11 -ATOM 16664 H HB . ILE A 1 42 ? 5.474 6.597 7.075 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 11 -ATOM 16665 H HG12 . ILE A 1 42 ? 6.791 9.306 7.090 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 11 -ATOM 16666 H HG13 . ILE A 1 42 ? 6.586 8.311 5.658 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 11 -ATOM 16667 H HG21 . ILE A 1 42 ? 6.419 8.366 9.337 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 11 -ATOM 16668 H HG22 . ILE A 1 42 ? 5.727 6.753 9.518 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 11 -ATOM 16669 H HG23 . ILE A 1 42 ? 4.734 8.074 8.900 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 11 -ATOM 16670 H HD11 . ILE A 1 42 ? 4.397 9.484 7.348 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 11 -ATOM 16671 H HD12 . ILE A 1 42 ? 4.168 8.465 5.914 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 11 -ATOM 16672 H HD13 . ILE A 1 42 ? 4.945 10.042 5.759 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 11 -ATOM 16673 N N . GLU A 1 43 ? 8.699 5.442 9.151 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 11 -ATOM 16674 C CA . GLU A 1 43 ? 9.024 4.348 10.042 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 11 -ATOM 16675 C C . GLU A 1 43 ? 7.960 4.089 11.107 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 11 -ATOM 16676 O O . GLU A 1 43 ? 7.809 2.965 11.569 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 11 -ATOM 16677 C CB . GLU A 1 43 ? 10.426 4.546 10.619 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 11 -ATOM 16678 C CG . GLU A 1 43 ? 10.681 5.926 11.200 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 11 -ATOM 16679 C CD . GLU A 1 43 ? 12.134 6.151 11.494 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 11 -ATOM 16680 O OE1 . GLU A 1 43 ? 12.898 6.455 10.551 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 11 -ATOM 16681 O OE2 . GLU A 1 43 ? 12.544 6.034 12.656 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 11 -ATOM 16682 H H . GLU A 1 43 ? 9.308 6.209 9.104 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 11 -ATOM 16683 H HA . GLU A 1 43 ? 9.051 3.467 9.419 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 11 -ATOM 16684 H HB2 . GLU A 1 43 ? 10.582 3.820 11.403 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 11 -ATOM 16685 H HB3 . GLU A 1 43 ? 11.145 4.370 9.834 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 11 -ATOM 16686 H HG2 . GLU A 1 43 ? 10.354 6.677 10.497 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 11 -ATOM 16687 H HG3 . GLU A 1 43 ? 10.121 6.027 12.118 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 11 -ATOM 16688 N N . ALA A 1 44 ? 7.183 5.109 11.447 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 11 -ATOM 16689 C CA . ALA A 1 44 ? 6.071 4.951 12.384 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 11 -ATOM 16690 C C . ALA A 1 44 ? 4.950 4.102 11.763 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 11 -ATOM 16691 O O . ALA A 1 44 ? 4.059 3.612 12.466 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 11 -ATOM 16692 C CB . ALA A 1 44 ? 5.528 6.308 12.807 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 11 -ATOM 16693 H H . ALA A 1 44 ? 7.381 6.001 11.088 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 11 -ATOM 16694 H HA . ALA A 1 44 ? 6.448 4.441 13.257 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 11 -ATOM 16695 H HB1 . ALA A 1 44 ? 4.734 6.171 13.525 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 11 -ATOM 16696 H HB2 . ALA A 1 44 ? 5.144 6.828 11.942 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 11 -ATOM 16697 H HB3 . ALA A 1 44 ? 6.320 6.890 13.255 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 11 -ATOM 16698 N N . ASN A 1 45 ? 5.008 3.931 10.451 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 11 -ATOM 16699 C CA . ASN A 1 45 ? 4.018 3.158 9.714 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 11 -ATOM 16700 C C . ASN A 1 45 ? 4.650 1.913 9.129 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 11 -ATOM 16701 O O . ASN A 1 45 ? 4.034 1.231 8.324 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 11 -ATOM 16702 C CB . ASN A 1 45 ? 3.411 3.978 8.547 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 11 -ATOM 16703 C CG . ASN A 1 45 ? 2.625 5.202 8.972 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 11 -ATOM 16704 O OD1 . ASN A 1 45 ? 2.051 5.250 10.058 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 11 -ATOM 16705 N ND2 . ASN A 1 45 ? 2.556 6.185 8.108 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 11 -ATOM 16706 H H . ASN A 1 45 ? 5.750 4.326 9.942 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 11 -ATOM 16707 H HA . ASN A 1 45 ? 3.223 2.867 10.384 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 11 -ATOM 16708 H HB2 . ASN A 1 45 ? 4.213 4.310 7.906 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 11 -ATOM 16709 H HB3 . ASN A 1 45 ? 2.758 3.331 7.977 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 11 -ATOM 16710 H HD21 . ASN A 1 45 ? 3.008 6.088 7.242 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 11 -ATOM 16711 H HD22 . ASN A 1 45 ? 2.039 6.983 8.348 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 11 -ATOM 16712 N N . LYS A 1 46 ? 5.863 1.604 9.541 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 11 -ATOM 16713 C CA . LYS A 1 46 ? 6.593 0.509 9.004 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 11 -ATOM 16714 C C . LYS A 1 46 ? 6.161 -0.823 9.621 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 11 -ATOM 16715 O O . LYS A 1 46 ? 5.807 -0.891 10.799 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 11 -ATOM 16716 C CB . LYS A 1 46 ? 8.076 0.765 9.236 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 11 -ATOM 16717 C CG . LYS A 1 46 ? 8.936 -0.381 8.877 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 11 -ATOM 16718 C CD . LYS A 1 46 ? 10.400 -0.107 9.126 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 11 -ATOM 16719 C CE . LYS A 1 46 ? 11.233 -1.347 8.850 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 11 -ATOM 16720 N NZ . LYS A 1 46 ? 10.865 -2.474 9.744 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 11 -ATOM 16721 H H . LYS A 1 46 ? 6.334 2.086 10.251 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 11 -ATOM 16722 H HA . LYS A 1 46 ? 6.426 0.481 7.937 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 11 -ATOM 16723 H HB2 . LYS A 1 46 ? 8.374 1.605 8.629 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 11 -ATOM 16724 H HB3 . LYS A 1 46 ? 8.230 1.001 10.278 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 11 -ATOM 16725 H HG2 . LYS A 1 46 ? 8.583 -1.171 9.520 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 11 -ATOM 16726 H HG3 . LYS A 1 46 ? 8.744 -0.614 7.842 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 11 -ATOM 16727 H HD2 . LYS A 1 46 ? 10.726 0.690 8.474 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 11 -ATOM 16728 H HD3 . LYS A 1 46 ? 10.536 0.188 10.155 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 11 -ATOM 16729 H HE2 . LYS A 1 46 ? 11.064 -1.649 7.827 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 11 -ATOM 16730 H HE3 . LYS A 1 46 ? 12.277 -1.111 8.987 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 11 -ATOM 16731 H HZ1 . LYS A 1 46 ? 9.880 -2.783 9.598 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 11 -ATOM 16732 H HZ2 . LYS A 1 46 ? 10.953 -2.211 10.746 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 11 -ATOM 16733 H HZ3 . LYS A 1 46 ? 11.480 -3.293 9.570 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 11 -ATOM 16734 N N . LEU A 1 47 ? 6.174 -1.854 8.809 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 11 -ATOM 16735 C CA . LEU A 1 47 ? 5.882 -3.199 9.248 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 11 -ATOM 16736 C C . LEU A 1 47 ? 7.152 -3.851 9.761 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 11 -ATOM 16737 O O . LEU A 1 47 ? 8.262 -3.528 9.299 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 11 -ATOM 16738 C CB . LEU A 1 47 ? 5.313 -4.050 8.107 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 11 -ATOM 16739 C CG . LEU A 1 47 ? 3.943 -3.667 7.556 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 11 -ATOM 16740 C CD1 . LEU A 1 47 ? 3.556 -4.602 6.435 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 11 -ATOM 16741 C CD2 . LEU A 1 47 ? 2.901 -3.738 8.638 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 11 -ATOM 16742 H H . LEU A 1 47 ? 6.409 -1.693 7.867 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 11 -ATOM 16743 H HA . LEU A 1 47 ? 5.159 -3.142 10.046 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 11 -ATOM 16744 H HB2 . LEU A 1 47 ? 6.014 -3.992 7.289 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 11 -ATOM 16745 H HB3 . LEU A 1 47 ? 5.269 -5.075 8.444 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 11 -ATOM 16746 H HG . LEU A 1 47 ? 3.973 -2.657 7.174 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 11 -ATOM 16747 H HD11 . LEU A 1 47 ? 2.589 -4.317 6.047 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 11 -ATOM 16748 H HD12 . LEU A 1 47 ? 3.503 -5.612 6.814 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 11 -ATOM 16749 H HD13 . LEU A 1 47 ? 4.290 -4.552 5.645 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 11 -ATOM 16750 H HD21 . LEU A 1 47 ? 3.154 -3.040 9.422 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 11 -ATOM 16751 H HD22 . LEU A 1 47 ? 2.876 -4.743 9.032 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 11 -ATOM 16752 H HD23 . LEU A 1 47 ? 1.943 -3.482 8.213 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 11 -ATOM 16753 N N . ARG A 1 48 ? 7.001 -4.753 10.686 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 11 -ATOM 16754 C CA . ARG A 1 48 ? 8.106 -5.446 11.264 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 11 -ATOM 16755 C C . ARG A 1 48 ? 8.329 -6.779 10.551 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 11 -ATOM 16756 O O . ARG A 1 48 ? 7.388 -7.544 10.344 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 11 -ATOM 16757 C CB . ARG A 1 48 ? 7.850 -5.641 12.758 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 11 -ATOM 16758 C CG . ARG A 1 48 ? 6.641 -6.503 13.101 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 11 -ATOM 16759 C CD . ARG A 1 48 ? 6.315 -6.428 14.575 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 11 -ATOM 16760 N NE . ARG A 1 48 ? 5.890 -5.075 14.964 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 11 -ATOM 16761 C CZ . ARG A 1 48 ? 5.687 -4.659 16.213 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 11 -ATOM 16762 N NH1 . ARG A 1 48 ? 5.895 -5.481 17.238 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 11 -ATOM 16763 N NH2 . ARG A 1 48 ? 5.277 -3.414 16.435 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 11 -ATOM 16764 H H . ARG A 1 48 ? 6.104 -4.973 11.016 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 11 -ATOM 16765 H HA . ARG A 1 48 ? 8.984 -4.831 11.140 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 11 -ATOM 16766 H HB2 . ARG A 1 48 ? 8.719 -6.111 13.184 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 11 -ATOM 16767 H HB3 . ARG A 1 48 ? 7.714 -4.670 13.213 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 11 -ATOM 16768 H HG2 . ARG A 1 48 ? 5.790 -6.164 12.532 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 11 -ATOM 16769 H HG3 . ARG A 1 48 ? 6.862 -7.525 12.836 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 11 -ATOM 16770 H HD2 . ARG A 1 48 ? 5.523 -7.128 14.795 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 11 -ATOM 16771 H HD3 . ARG A 1 48 ? 7.195 -6.692 15.143 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 11 -ATOM 16772 H HE . ARG A 1 48 ? 5.735 -4.447 14.221 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 11 -ATOM 16773 H HH11 . ARG A 1 48 ? 6.204 -6.429 17.112 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 11 -ATOM 16774 H HH12 . ARG A 1 48 ? 5.754 -5.181 18.183 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 11 -ATOM 16775 H HH21 . ARG A 1 48 ? 5.114 -2.781 15.669 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 11 -ATOM 16776 H HH22 . ARG A 1 48 ? 5.107 -3.063 17.361 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 11 -ATOM 16777 N N . GLY A 1 49 ? 9.547 -7.013 10.113 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 11 -ATOM 16778 C CA . GLY A 1 49 ? 9.886 -8.273 9.456 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 11 -ATOM 16779 C C . GLY A 1 49 ? 9.426 -8.313 8.017 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 11 -ATOM 16780 O O . GLY A 1 49 ? 9.414 -9.368 7.376 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 11 -ATOM 16781 H H . GLY A 1 49 ? 10.236 -6.321 10.224 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 11 -ATOM 16782 H HA2 . GLY A 1 49 ? 10.959 -8.399 9.481 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 11 -ATOM 16783 H HA3 . GLY A 1 49 ? 9.422 -9.085 9.996 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 11 -ATOM 16784 N N . MET A 1 50 ? 9.048 -7.171 7.515 1.00 0.00 ? ? ? ? ? ? 47 MET A N 11 -ATOM 16785 C CA . MET A 1 50 ? 8.576 -7.038 6.164 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 11 -ATOM 16786 C C . MET A 1 50 ? 9.461 -6.044 5.463 1.00 0.00 ? ? ? ? ? ? 47 MET A C 11 -ATOM 16787 O O . MET A 1 50 ? 9.559 -4.888 5.905 1.00 0.00 ? ? ? ? ? ? 47 MET A O 11 -ATOM 16788 C CB . MET A 1 50 ? 7.131 -6.561 6.145 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 11 -ATOM 16789 C CG . MET A 1 50 ? 6.150 -7.517 6.821 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 11 -ATOM 16790 S SD . MET A 1 50 ? 5.965 -9.094 5.952 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 11 -ATOM 16791 C CE . MET A 1 50 ? 5.107 -8.557 4.469 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 11 -ATOM 16792 H H . MET A 1 50 ? 9.121 -6.375 8.083 1.00 0.00 ? ? ? ? ? ? 47 MET A H 11 -ATOM 16793 H HA . MET A 1 50 ? 8.649 -8.006 5.689 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 11 -ATOM 16794 H HB2 . MET A 1 50 ? 7.107 -5.605 6.644 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 11 -ATOM 16795 H HB3 . MET A 1 50 ? 6.829 -6.421 5.118 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 11 -ATOM 16796 H HG2 . MET A 1 50 ? 6.499 -7.717 7.823 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 11 -ATOM 16797 H HG3 . MET A 1 50 ? 5.187 -7.032 6.862 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 11 -ATOM 16798 H HE1 . MET A 1 50 ? 4.907 -9.414 3.842 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 11 -ATOM 16799 H HE2 . MET A 1 50 ? 5.717 -7.850 3.928 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 11 -ATOM 16800 H HE3 . MET A 1 50 ? 4.171 -8.093 4.745 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 11 -ATOM 16801 N N . PRO A 1 51 ? 10.129 -6.466 4.385 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 11 -ATOM 16802 C CA . PRO A 1 51 ? 11.106 -5.638 3.671 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 11 -ATOM 16803 C C . PRO A 1 51 ? 10.512 -4.345 3.096 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 11 -ATOM 16804 O O . PRO A 1 51 ? 9.775 -4.371 2.092 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 11 -ATOM 16805 C CB . PRO A 1 51 ? 11.623 -6.553 2.549 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 11 -ATOM 16806 C CG . PRO A 1 51 ? 10.582 -7.610 2.401 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 11 -ATOM 16807 C CD . PRO A 1 51 ? 9.977 -7.792 3.760 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 11 -ATOM 16808 H HA . PRO A 1 51 ? 11.924 -5.377 4.324 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 11 -ATOM 16809 H HB2 . PRO A 1 51 ? 11.735 -5.978 1.642 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 11 -ATOM 16810 H HB3 . PRO A 1 51 ? 12.575 -6.976 2.832 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 11 -ATOM 16811 H HG2 . PRO A 1 51 ? 9.829 -7.288 1.698 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 11 -ATOM 16812 H HG3 . PRO A 1 51 ? 11.036 -8.533 2.066 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 11 -ATOM 16813 H HD2 . PRO A 1 51 ? 8.932 -8.054 3.674 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 11 -ATOM 16814 H HD3 . PRO A 1 51 ? 10.515 -8.543 4.320 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 11 -ATOM 16815 N N . ASP A 1 52 ? 10.754 -3.243 3.818 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 11 -ATOM 16816 C CA . ASP A 1 52 ? 10.381 -1.877 3.402 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 11 -ATOM 16817 C C . ASP A 1 52 ? 8.889 -1.725 3.254 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 11 -ATOM 16818 O O . ASP A 1 52 ? 8.424 -0.904 2.471 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 11 -ATOM 16819 C CB . ASP A 1 52 ? 11.079 -1.462 2.081 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 11 -ATOM 16820 C CG . ASP A 1 52 ? 12.563 -1.231 2.220 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 11 -ATOM 16821 O OD1 . ASP A 1 52 ? 13.339 -2.212 2.192 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 11 -ATOM 16822 O OD2 . ASP A 1 52 ? 12.997 -0.059 2.362 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 11 -ATOM 16823 H H . ASP A 1 52 ? 11.179 -3.371 4.694 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 11 -ATOM 16824 H HA . ASP A 1 52 ? 10.709 -1.206 4.181 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 11 -ATOM 16825 H HB2 . ASP A 1 52 ? 10.934 -2.244 1.349 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 11 -ATOM 16826 H HB3 . ASP A 1 52 ? 10.621 -0.556 1.713 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 11 -ATOM 16827 N N . CYS A 1 53 ? 8.128 -2.451 4.041 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 11 -ATOM 16828 C CA . CYS A 1 53 ? 6.708 -2.379 3.916 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 11 -ATOM 16829 C C . CYS A 1 53 ? 6.143 -1.468 4.992 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 11 -ATOM 16830 O O . CYS A 1 53 ? 6.624 -1.456 6.134 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 11 -ATOM 16831 C CB . CYS A 1 53 ? 6.111 -3.773 4.002 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 11 -ATOM 16832 S SG . CYS A 1 53 ? 6.812 -4.948 2.812 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 11 -ATOM 16833 H H . CYS A 1 53 ? 8.517 -3.028 4.733 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 11 -ATOM 16834 H HA . CYS A 1 53 ? 6.476 -1.958 2.951 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 11 -ATOM 16835 H HB2 . CYS A 1 53 ? 6.286 -4.167 4.992 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 11 -ATOM 16836 H HB3 . CYS A 1 53 ? 5.048 -3.713 3.819 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 11 -ATOM 16837 H HG . CYS A 1 53 ? 8.035 -4.521 2.511 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 11 -ATOM 16838 N N . TYR A 1 54 ? 5.149 -0.710 4.619 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 11 -ATOM 16839 C CA . TYR A 1 54 ? 4.515 0.265 5.462 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 11 -ATOM 16840 C C . TYR A 1 54 ? 3.014 0.133 5.258 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 11 -ATOM 16841 O O . TYR A 1 54 ? 2.580 -0.378 4.210 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 11 -ATOM 16842 C CB . TYR A 1 54 ? 4.970 1.694 5.064 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 11 -ATOM 16843 C CG . TYR A 1 54 ? 6.480 1.936 5.111 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 11 -ATOM 16844 C CD1 . TYR A 1 54 ? 7.300 1.565 4.056 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 11 -ATOM 16845 C CD2 . TYR A 1 54 ? 7.074 2.531 6.202 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 11 -ATOM 16846 C CE1 . TYR A 1 54 ? 8.666 1.777 4.096 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 11 -ATOM 16847 C CE2 . TYR A 1 54 ? 8.440 2.748 6.248 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 11 -ATOM 16848 C CZ . TYR A 1 54 ? 9.228 2.367 5.192 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 11 -ATOM 16849 O OH . TYR A 1 54 ? 10.594 2.586 5.236 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 11 -ATOM 16850 H H . TYR A 1 54 ? 4.797 -0.796 3.703 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 11 -ATOM 16851 H HA . TYR A 1 54 ? 4.773 0.072 6.493 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 11 -ATOM 16852 H HB2 . TYR A 1 54 ? 4.643 1.890 4.055 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 11 -ATOM 16853 H HB3 . TYR A 1 54 ? 4.495 2.405 5.725 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 11 -ATOM 16854 H HD1 . TYR A 1 54 ? 6.856 1.094 3.192 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 11 -ATOM 16855 H HD2 . TYR A 1 54 ? 6.455 2.832 7.036 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 11 -ATOM 16856 H HE1 . TYR A 1 54 ? 9.285 1.478 3.262 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 11 -ATOM 16857 H HE2 . TYR A 1 54 ? 8.884 3.215 7.115 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 11 -ATOM 16858 H HH . TYR A 1 54 ? 10.913 2.728 4.334 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 11 -ATOM 16859 N N . LYS A 1 55 ? 2.226 0.559 6.223 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 11 -ATOM 16860 C CA . LYS A 1 55 ? 0.785 0.440 6.106 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 11 -ATOM 16861 C C . LYS A 1 55 ? 0.059 1.724 6.494 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 11 -ATOM 16862 O O . LYS A 1 55 ? 0.443 2.426 7.449 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 11 -ATOM 16863 C CB . LYS A 1 55 ? 0.215 -0.782 6.908 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 11 -ATOM 16864 C CG . LYS A 1 55 ? 0.198 -0.696 8.464 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 11 -ATOM 16865 C CD . LYS A 1 55 ? 1.584 -0.531 9.073 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 11 -ATOM 16866 C CE . LYS A 1 55 ? 1.592 -0.732 10.590 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 11 -ATOM 16867 N NZ . LYS A 1 55 ? 0.703 0.203 11.315 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 11 -ATOM 16868 H H . LYS A 1 55 ? 2.622 0.970 7.022 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 11 -ATOM 16869 H HA . LYS A 1 55 ? 0.584 0.267 5.058 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 11 -ATOM 16870 H HB2 . LYS A 1 55 ? -0.805 -0.944 6.592 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 11 -ATOM 16871 H HB3 . LYS A 1 55 ? 0.790 -1.651 6.629 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 11 -ATOM 16872 H HG2 . LYS A 1 55 ? -0.403 0.152 8.758 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 11 -ATOM 16873 H HG3 . LYS A 1 55 ? -0.255 -1.597 8.854 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 11 -ATOM 16874 H HD2 . LYS A 1 55 ? 2.250 -1.249 8.622 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 11 -ATOM 16875 H HD3 . LYS A 1 55 ? 1.941 0.464 8.850 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 11 -ATOM 16876 H HE2 . LYS A 1 55 ? 1.278 -1.741 10.808 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 11 -ATOM 16877 H HE3 . LYS A 1 55 ? 2.605 -0.598 10.942 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 11 -ATOM 16878 H HZ1 . LYS A 1 55 ? 0.933 1.189 11.091 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 11 -ATOM 16879 H HZ2 . LYS A 1 55 ? 0.853 0.088 12.340 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 11 -ATOM 16880 H HZ3 . LYS A 1 55 ? -0.305 0.035 11.133 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 11 -ATOM 16881 N N . ILE A 1 56 ? -0.970 2.032 5.746 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 11 -ATOM 16882 C CA . ILE A 1 56 ? -1.836 3.150 6.036 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 11 -ATOM 16883 C C . ILE A 1 56 ? -3.213 2.596 6.331 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 11 -ATOM 16884 O O . ILE A 1 56 ? -3.629 1.602 5.716 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 11 -ATOM 16885 C CB . ILE A 1 56 ? -1.921 4.187 4.859 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 11 -ATOM 16886 C CG1 . ILE A 1 56 ? -0.528 4.744 4.527 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 11 -ATOM 16887 C CG2 . ILE A 1 56 ? -2.882 5.340 5.207 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 11 -ATOM 16888 C CD1 . ILE A 1 56 ? -0.521 5.766 3.401 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 11 -ATOM 16889 H H . ILE A 1 56 ? -1.171 1.471 4.962 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 11 -ATOM 16890 H HA . ILE A 1 56 ? -1.459 3.634 6.923 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 11 -ATOM 16891 H HB . ILE A 1 56 ? -2.311 3.677 3.992 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 11 -ATOM 16892 H HG12 . ILE A 1 56 ? -0.121 5.222 5.407 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 11 -ATOM 16893 H HG13 . ILE A 1 56 ? 0.119 3.927 4.240 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 11 -ATOM 16894 H HG21 . ILE A 1 56 ? -2.924 6.041 4.386 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 11 -ATOM 16895 H HG22 . ILE A 1 56 ? -2.538 5.859 6.090 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 11 -ATOM 16896 H HG23 . ILE A 1 56 ? -3.873 4.956 5.393 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 11 -ATOM 16897 H HD11 . ILE A 1 56 ? -0.938 5.324 2.508 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 11 -ATOM 16898 H HD12 . ILE A 1 56 ? 0.495 6.078 3.207 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 11 -ATOM 16899 H HD13 . ILE A 1 56 ? -1.112 6.623 3.688 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 11 -ATOM 16900 N N . LYS A 1 57 ? -3.889 3.175 7.290 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 11 -ATOM 16901 C CA . LYS A 1 57 ? -5.186 2.762 7.629 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 11 -ATOM 16902 C C . LYS A 1 57 ? -6.117 3.882 7.271 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 11 -ATOM 16903 O O . LYS A 1 57 ? -5.772 5.055 7.417 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 11 -ATOM 16904 C CB . LYS A 1 57 ? -5.340 2.503 9.125 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 11 -ATOM 16905 C CG . LYS A 1 57 ? -4.246 1.674 9.827 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 11 -ATOM 16906 C CD . LYS A 1 57 ? -2.982 2.489 10.120 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 11 -ATOM 16907 C CE . LYS A 1 57 ? -3.274 3.656 11.068 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 11 -ATOM 16908 N NZ . LYS A 1 57 ? -2.077 4.469 11.347 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 11 -ATOM 16909 H H . LYS A 1 57 ? -3.546 3.936 7.794 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 11 -ATOM 16910 H HA . LYS A 1 57 ? -5.438 1.866 7.081 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 11 -ATOM 16911 H HB2 . LYS A 1 57 ? -5.485 3.451 9.616 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 11 -ATOM 16912 H HB3 . LYS A 1 57 ? -6.268 1.972 9.204 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 11 -ATOM 16913 H HG2 . LYS A 1 57 ? -4.635 1.306 10.764 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 11 -ATOM 16914 H HG3 . LYS A 1 57 ? -3.988 0.838 9.195 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 11 -ATOM 16915 H HD2 . LYS A 1 57 ? -2.240 1.842 10.563 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 11 -ATOM 16916 H HD3 . LYS A 1 57 ? -2.614 2.880 9.184 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 11 -ATOM 16917 H HE2 . LYS A 1 57 ? -4.017 4.303 10.624 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 11 -ATOM 16918 H HE3 . LYS A 1 57 ? -3.656 3.261 11.997 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 11 -ATOM 16919 H HZ1 . LYS A 1 57 ? -2.311 5.263 11.975 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 11 -ATOM 16920 H HZ2 . LYS A 1 57 ? -1.690 4.883 10.475 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 11 -ATOM 16921 H HZ3 . LYS A 1 57 ? -1.331 3.903 11.797 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 11 -ATOM 16922 N N . LEU A 1 58 ? -7.267 3.541 6.829 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 11 -ATOM 16923 C CA . LEU A 1 58 ? -8.251 4.516 6.474 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 11 -ATOM 16924 C C . LEU A 1 58 ? -9.198 4.637 7.647 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 11 -ATOM 16925 O O . LEU A 1 58 ? -9.855 3.657 8.012 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 11 -ATOM 16926 C CB . LEU A 1 58 ? -9.009 4.069 5.216 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 11 -ATOM 16927 C CG . LEU A 1 58 ? -9.820 5.143 4.488 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 11 -ATOM 16928 C CD1 . LEU A 1 58 ? -8.912 6.229 3.987 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 11 -ATOM 16929 C CD2 . LEU A 1 58 ? -10.581 4.529 3.334 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 11 -ATOM 16930 H H . LEU A 1 58 ? -7.444 2.578 6.755 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 11 -ATOM 16931 H HA . LEU A 1 58 ? -7.757 5.458 6.297 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 11 -ATOM 16932 H HB2 . LEU A 1 58 ? -8.287 3.670 4.521 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 11 -ATOM 16933 H HB3 . LEU A 1 58 ? -9.684 3.273 5.497 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 11 -ATOM 16934 H HG . LEU A 1 58 ? -10.534 5.637 5.127 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 11 -ATOM 16935 H HD11 . LEU A 1 58 ? -8.299 6.612 4.791 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 11 -ATOM 16936 H HD12 . LEU A 1 58 ? -9.546 7.027 3.640 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 11 -ATOM 16937 H HD13 . LEU A 1 58 ? -8.295 5.861 3.182 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 11 -ATOM 16938 H HD21 . LEU A 1 58 ? -9.888 4.062 2.652 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 11 -ATOM 16939 H HD22 . LEU A 1 58 ? -11.128 5.303 2.815 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 11 -ATOM 16940 H HD23 . LEU A 1 58 ? -11.268 3.789 3.714 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 11 -ATOM 16941 N N . ARG A 1 59 ? -9.277 5.808 8.233 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 11 -ATOM 16942 C CA . ARG A 1 59 ? -10.095 6.022 9.427 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 11 -ATOM 16943 C C . ARG A 1 59 ? -11.562 5.967 9.075 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 11 -ATOM 16944 O O . ARG A 1 59 ? -12.388 5.467 9.848 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 11 -ATOM 16945 C CB . ARG A 1 59 ? -9.780 7.377 10.072 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 11 -ATOM 16946 C CG . ARG A 1 59 ? -8.332 7.570 10.486 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 11 -ATOM 16947 C CD . ARG A 1 59 ? -7.860 6.515 11.486 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 11 -ATOM 16948 N NE . ARG A 1 59 ? -8.659 6.484 12.735 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 11 -ATOM 16949 C CZ . ARG A 1 59 ? -8.147 6.655 13.965 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 11 -ATOM 16950 N NH1 . ARG A 1 59 ? -6.931 7.172 14.119 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 11 -ATOM 16951 N NH2 . ARG A 1 59 ? -8.871 6.375 15.043 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 11 -ATOM 16952 H H . ARG A 1 59 ? -8.797 6.570 7.837 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 11 -ATOM 16953 H HA . ARG A 1 59 ? -9.880 5.239 10.137 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 11 -ATOM 16954 H HB2 . ARG A 1 59 ? -10.032 8.159 9.373 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 11 -ATOM 16955 H HB3 . ARG A 1 59 ? -10.399 7.490 10.950 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 11 -ATOM 16956 H HG2 . ARG A 1 59 ? -7.714 7.505 9.603 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 11 -ATOM 16957 H HG3 . ARG A 1 59 ? -8.221 8.550 10.927 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 11 -ATOM 16958 H HD2 . ARG A 1 59 ? -7.918 5.547 11.013 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 11 -ATOM 16959 H HD3 . ARG A 1 59 ? -6.829 6.713 11.734 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 11 -ATOM 16960 H HE . ARG A 1 59 ? -9.604 6.229 12.618 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 11 -ATOM 16961 H HH11 . ARG A 1 59 ? -6.364 7.454 13.340 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 11 -ATOM 16962 H HH12 . ARG A 1 59 ? -6.539 7.303 15.034 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 11 -ATOM 16963 H HH21 . ARG A 1 59 ? -9.815 6.036 15.000 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 11 -ATOM 16964 H HH22 . ARG A 1 59 ? -8.469 6.477 15.957 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 11 -ATOM 16965 N N . SER A 1 60 ? -11.858 6.446 7.894 1.00 0.00 ? ? ? ? ? ? 57 SER A N 11 -ATOM 16966 C CA . SER A 1 60 ? -13.198 6.540 7.380 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 11 -ATOM 16967 C C . SER A 1 60 ? -13.869 5.167 7.246 1.00 0.00 ? ? ? ? ? ? 57 SER A C 11 -ATOM 16968 O O . SER A 1 60 ? -15.040 5.007 7.602 1.00 0.00 ? ? ? ? ? ? 57 SER A O 11 -ATOM 16969 C CB . SER A 1 60 ? -13.143 7.235 6.024 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 11 -ATOM 16970 O OG . SER A 1 60 ? -12.358 8.421 6.114 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 11 -ATOM 16971 H H . SER A 1 60 ? -11.132 6.796 7.336 1.00 0.00 ? ? ? ? ? ? 57 SER A H 11 -ATOM 16972 H HA . SER A 1 60 ? -13.780 7.159 8.045 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 11 -ATOM 16973 H HB2 . SER A 1 60 ? -12.694 6.572 5.299 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 11 -ATOM 16974 H HB3 . SER A 1 60 ? -14.141 7.501 5.710 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 11 -ATOM 16975 H HG . SER A 1 60 ? -12.966 9.162 6.001 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 11 -ATOM 16976 N N . SER A 1 61 ? -13.121 4.166 6.814 1.00 0.00 ? ? ? ? ? ? 58 SER A N 11 -ATOM 16977 C CA . SER A 1 61 ? -13.740 2.888 6.521 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 11 -ATOM 16978 C C . SER A 1 61 ? -13.111 1.693 7.273 1.00 0.00 ? ? ? ? ? ? 58 SER A C 11 -ATOM 16979 O O . SER A 1 61 ? -13.680 0.603 7.278 1.00 0.00 ? ? ? ? ? ? 58 SER A O 11 -ATOM 16980 C CB . SER A 1 61 ? -13.702 2.669 5.018 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 11 -ATOM 16981 O OG . SER A 1 61 ? -14.212 3.808 4.339 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 11 -ATOM 16982 H H . SER A 1 61 ? -12.163 4.307 6.680 1.00 0.00 ? ? ? ? ? ? 58 SER A H 11 -ATOM 16983 H HA . SER A 1 61 ? -14.777 2.964 6.809 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 11 -ATOM 16984 H HB2 . SER A 1 61 ? -12.682 2.504 4.707 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 11 -ATOM 16985 H HB3 . SER A 1 61 ? -14.305 1.810 4.760 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 11 -ATOM 16986 H HG . SER A 1 61 ? -15.164 3.850 4.478 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 11 -ATOM 16987 N N . GLY A 1 62 ? -11.954 1.882 7.890 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 11 -ATOM 16988 C CA . GLY A 1 62 ? -11.327 0.787 8.628 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 11 -ATOM 16989 C C . GLY A 1 62 ? -10.506 -0.126 7.729 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 11 -ATOM 16990 O O . GLY A 1 62 ? -10.226 -1.272 8.068 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 11 -ATOM 16991 H H . GLY A 1 62 ? -11.501 2.751 7.885 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 11 -ATOM 16992 H HA2 . GLY A 1 62 ? -10.683 1.202 9.390 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 11 -ATOM 16993 H HA3 . GLY A 1 62 ? -12.099 0.204 9.107 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 11 -ATOM 16994 N N . TYR A 1 63 ? -10.110 0.377 6.592 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 11 -ATOM 16995 C CA . TYR A 1 63 ? -9.332 -0.408 5.658 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 11 -ATOM 16996 C C . TYR A 1 63 ? -7.851 -0.185 5.867 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 11 -ATOM 16997 O O . TYR A 1 63 ? -7.445 0.829 6.434 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 11 -ATOM 16998 C CB . TYR A 1 63 ? -9.741 -0.121 4.203 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 11 -ATOM 16999 C CG . TYR A 1 63 ? -11.062 -0.759 3.784 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 11 -ATOM 17000 C CD1 . TYR A 1 63 ? -12.264 -0.389 4.369 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 11 -ATOM 17001 C CD2 . TYR A 1 63 ? -11.096 -1.727 2.790 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 11 -ATOM 17002 C CE1 . TYR A 1 63 ? -13.458 -0.964 3.985 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 11 -ATOM 17003 C CE2 . TYR A 1 63 ? -12.287 -2.307 2.398 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 11 -ATOM 17004 C CZ . TYR A 1 63 ? -13.465 -1.921 3.000 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 11 -ATOM 17005 O OH . TYR A 1 63 ? -14.652 -2.508 2.622 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 11 -ATOM 17006 H H . TYR A 1 63 ? -10.316 1.310 6.381 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 11 -ATOM 17007 H HA . TYR A 1 63 ? -9.543 -1.445 5.875 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 11 -ATOM 17008 H HB2 . TYR A 1 63 ? -9.835 0.947 4.069 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 11 -ATOM 17009 H HB3 . TYR A 1 63 ? -8.967 -0.491 3.546 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 11 -ATOM 17010 H HD1 . TYR A 1 63 ? -12.259 0.363 5.145 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 11 -ATOM 17011 H HD2 . TYR A 1 63 ? -10.173 -2.030 2.317 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 11 -ATOM 17012 H HE1 . TYR A 1 63 ? -14.381 -0.659 4.456 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 11 -ATOM 17013 H HE2 . TYR A 1 63 ? -12.292 -3.060 1.623 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 11 -ATOM 17014 H HH . TYR A 1 63 ? -15.330 -1.842 2.454 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 11 -ATOM 17015 N N . ARG A 1 64 ? -7.068 -1.144 5.446 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 11 -ATOM 17016 C CA . ARG A 1 64 ? -5.628 -1.102 5.541 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 11 -ATOM 17017 C C . ARG A 1 64 ? -5.039 -1.240 4.154 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 11 -ATOM 17018 O O . ARG A 1 64 ? -5.576 -1.970 3.311 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 11 -ATOM 17019 C CB . ARG A 1 64 ? -5.055 -2.246 6.408 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 11 -ATOM 17020 C CG . ARG A 1 64 ? -5.179 -2.126 7.931 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 11 -ATOM 17021 C CD . ARG A 1 64 ? -6.601 -2.223 8.461 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 11 -ATOM 17022 N NE . ARG A 1 64 ? -6.582 -2.370 9.926 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 11 -ATOM 17023 C CZ . ARG A 1 64 ? -7.643 -2.332 10.750 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 11 -ATOM 17024 N NH1 . ARG A 1 64 ? -8.862 -2.070 10.293 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 11 -ATOM 17025 N NH2 . ARG A 1 64 ? -7.465 -2.539 12.049 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 11 -ATOM 17026 H H . ARG A 1 64 ? -7.463 -1.921 4.993 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 11 -ATOM 17027 H HA . ARG A 1 64 ? -5.334 -0.154 5.965 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 11 -ATOM 17028 H HB2 . ARG A 1 64 ? -5.558 -3.159 6.124 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 11 -ATOM 17029 H HB3 . ARG A 1 64 ? -4.008 -2.355 6.163 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 11 -ATOM 17030 H HG2 . ARG A 1 64 ? -4.602 -2.919 8.384 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 11 -ATOM 17031 H HG3 . ARG A 1 64 ? -4.755 -1.178 8.229 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 11 -ATOM 17032 H HD2 . ARG A 1 64 ? -7.138 -1.323 8.197 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 11 -ATOM 17033 H HD3 . ARG A 1 64 ? -7.088 -3.083 8.027 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 11 -ATOM 17034 H HE . ARG A 1 64 ? -5.684 -2.538 10.291 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 11 -ATOM 17035 H HH11 . ARG A 1 64 ? -9.079 -1.892 9.327 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 11 -ATOM 17036 H HH12 . ARG A 1 64 ? -9.656 -2.031 10.907 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 11 -ATOM 17037 H HH21 . ARG A 1 64 ? -6.565 -2.726 12.449 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 11 -ATOM 17038 H HH22 . ARG A 1 64 ? -8.239 -2.513 12.686 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 11 -ATOM 17039 N N . LEU A 1 65 ? -3.974 -0.555 3.915 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 11 -ATOM 17040 C CA . LEU A 1 65 ? -3.275 -0.654 2.672 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 11 -ATOM 17041 C C . LEU A 1 65 ? -1.799 -0.848 2.990 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 11 -ATOM 17042 O O . LEU A 1 65 ? -1.227 -0.087 3.774 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 11 -ATOM 17043 C CB . LEU A 1 65 ? -3.553 0.608 1.818 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 11 -ATOM 17044 C CG . LEU A 1 65 ? -3.054 0.614 0.357 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 11 -ATOM 17045 C CD1 . LEU A 1 65 ? -3.742 1.710 -0.420 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 11 -ATOM 17046 C CD2 . LEU A 1 65 ? -1.561 0.835 0.286 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 11 -ATOM 17047 H H . LEU A 1 65 ? -3.631 0.069 4.595 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 11 -ATOM 17048 H HA . LEU A 1 65 ? -3.639 -1.531 2.156 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 11 -ATOM 17049 H HB2 . LEU A 1 65 ? -4.622 0.762 1.797 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 11 -ATOM 17050 H HB3 . LEU A 1 65 ? -3.106 1.448 2.327 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 11 -ATOM 17051 H HG . LEU A 1 65 ? -3.286 -0.333 -0.110 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 11 -ATOM 17052 H HD11 . LEU A 1 65 ? -4.808 1.539 -0.413 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 11 -ATOM 17053 H HD12 . LEU A 1 65 ? -3.382 1.692 -1.438 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 11 -ATOM 17054 H HD13 . LEU A 1 65 ? -3.526 2.666 0.033 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 11 -ATOM 17055 H HD21 . LEU A 1 65 ? -1.246 0.894 -0.745 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 11 -ATOM 17056 H HD22 . LEU A 1 65 ? -1.055 0.012 0.769 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 11 -ATOM 17057 H HD23 . LEU A 1 65 ? -1.326 1.755 0.798 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 11 -ATOM 17058 N N . VAL A 1 66 ? -1.205 -1.873 2.411 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 11 -ATOM 17059 C CA . VAL A 1 66 ? 0.181 -2.219 2.663 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 11 -ATOM 17060 C C . VAL A 1 66 ? 1.001 -2.052 1.388 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 11 -ATOM 17061 O O . VAL A 1 66 ? 0.671 -2.627 0.331 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 11 -ATOM 17062 C CB . VAL A 1 66 ? 0.316 -3.685 3.178 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 11 -ATOM 17063 C CG1 . VAL A 1 66 ? 1.774 -4.053 3.415 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 11 -ATOM 17064 C CG2 . VAL A 1 66 ? -0.490 -3.887 4.455 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 11 -ATOM 17065 H H . VAL A 1 66 ? -1.696 -2.416 1.753 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 11 -ATOM 17066 H HA . VAL A 1 66 ? 0.565 -1.549 3.420 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 11 -ATOM 17067 H HB . VAL A 1 66 ? -0.078 -4.345 2.419 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 11 -ATOM 17068 H HG11 . VAL A 1 66 ? 1.837 -5.068 3.777 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 11 -ATOM 17069 H HG12 . VAL A 1 66 ? 2.194 -3.385 4.152 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 11 -ATOM 17070 H HG13 . VAL A 1 66 ? 2.323 -3.963 2.489 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 11 -ATOM 17071 H HG21 . VAL A 1 66 ? -1.531 -3.677 4.258 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 11 -ATOM 17072 H HG22 . VAL A 1 66 ? -0.126 -3.213 5.216 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 11 -ATOM 17073 H HG23 . VAL A 1 66 ? -0.386 -4.906 4.796 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 11 -ATOM 17074 N N . TYR A 1 67 ? 2.049 -1.289 1.478 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 11 -ATOM 17075 C CA . TYR A 1 67 ? 2.909 -1.030 0.352 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 11 -ATOM 17076 C C . TYR A 1 67 ? 4.354 -1.103 0.772 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 11 -ATOM 17077 O O . TYR A 1 67 ? 4.657 -1.000 1.947 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 11 -ATOM 17078 C CB . TYR A 1 67 ? 2.595 0.347 -0.287 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 11 -ATOM 17079 C CG . TYR A 1 67 ? 2.674 1.553 0.647 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 11 -ATOM 17080 C CD1 . TYR A 1 67 ? 3.875 1.972 1.210 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 11 -ATOM 17081 C CD2 . TYR A 1 67 ? 1.546 2.280 0.933 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 11 -ATOM 17082 C CE1 . TYR A 1 67 ? 3.930 3.067 2.032 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 11 -ATOM 17083 C CE2 . TYR A 1 67 ? 1.591 3.376 1.752 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 11 -ATOM 17084 C CZ . TYR A 1 67 ? 2.789 3.766 2.303 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 11 -ATOM 17085 O OH . TYR A 1 67 ? 2.845 4.857 3.130 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 11 -ATOM 17086 H H . TYR A 1 67 ? 2.281 -0.887 2.349 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 11 -ATOM 17087 H HA . TYR A 1 67 ? 2.722 -1.799 -0.381 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 11 -ATOM 17088 H HB2 . TYR A 1 67 ? 3.269 0.530 -1.109 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 11 -ATOM 17089 H HB3 . TYR A 1 67 ? 1.589 0.307 -0.676 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 11 -ATOM 17090 H HD1 . TYR A 1 67 ? 4.774 1.413 0.997 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 11 -ATOM 17091 H HD2 . TYR A 1 67 ? 0.608 1.972 0.498 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 11 -ATOM 17092 H HE1 . TYR A 1 67 ? 4.872 3.377 2.458 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 11 -ATOM 17093 H HE2 . TYR A 1 67 ? 0.680 3.920 1.949 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 11 -ATOM 17094 H HH . TYR A 1 67 ? 3.618 5.381 2.907 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 11 -ATOM 17095 N N . GLN A 1 68 ? 5.226 -1.313 -0.162 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 11 -ATOM 17096 C CA . GLN A 1 68 ? 6.629 -1.269 0.113 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 11 -ATOM 17097 C C . GLN A 1 68 ? 7.233 -0.067 -0.568 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 11 -ATOM 17098 O O . GLN A 1 68 ? 6.931 0.218 -1.731 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 11 -ATOM 17099 C CB . GLN A 1 68 ? 7.356 -2.564 -0.282 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 11 -ATOM 17100 C CG . GLN A 1 68 ? 7.216 -2.972 -1.743 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 11 -ATOM 17101 C CD . GLN A 1 68 ? 8.022 -4.213 -2.090 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 11 -ATOM 17102 O OE1 . GLN A 1 68 ? 8.475 -4.375 -3.227 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 11 -ATOM 17103 N NE2 . GLN A 1 68 ? 8.222 -5.088 -1.130 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 11 -ATOM 17104 H H . GLN A 1 68 ? 4.922 -1.484 -1.082 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 11 -ATOM 17105 H HA . GLN A 1 68 ? 6.735 -1.113 1.175 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 11 -ATOM 17106 H HB2 . GLN A 1 68 ? 8.410 -2.439 -0.074 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 11 -ATOM 17107 H HB3 . GLN A 1 68 ? 6.981 -3.365 0.336 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 11 -ATOM 17108 H HG2 . GLN A 1 68 ? 6.176 -3.164 -1.956 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 11 -ATOM 17109 H HG3 . GLN A 1 68 ? 7.564 -2.154 -2.357 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 11 -ATOM 17110 H HE21 . GLN A 1 68 ? 7.844 -4.907 -0.243 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 11 -ATOM 17111 H HE22 . GLN A 1 68 ? 8.765 -5.885 -1.321 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 11 -ATOM 17112 N N . VAL A 1 69 ? 8.035 0.655 0.146 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 11 -ATOM 17113 C CA . VAL A 1 69 ? 8.666 1.814 -0.413 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 11 -ATOM 17114 C C . VAL A 1 69 ? 10.045 1.438 -0.841 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 11 -ATOM 17115 O O . VAL A 1 69 ? 10.910 1.168 -0.011 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 11 -ATOM 17116 C CB . VAL A 1 69 ? 8.742 2.979 0.603 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 11 -ATOM 17117 C CG1 . VAL A 1 69 ? 9.455 4.189 0.009 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 11 -ATOM 17118 C CG2 . VAL A 1 69 ? 7.358 3.365 1.061 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 11 -ATOM 17119 H H . VAL A 1 69 ? 8.240 0.370 1.064 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 11 -ATOM 17120 H HA . VAL A 1 69 ? 8.098 2.133 -1.275 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 11 -ATOM 17121 H HB . VAL A 1 69 ? 9.303 2.646 1.463 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 11 -ATOM 17122 H HG11 . VAL A 1 69 ? 10.452 3.904 -0.293 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 11 -ATOM 17123 H HG12 . VAL A 1 69 ? 9.518 4.969 0.753 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 11 -ATOM 17124 H HG13 . VAL A 1 69 ? 8.907 4.548 -0.850 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 11 -ATOM 17125 H HG21 . VAL A 1 69 ? 7.430 4.155 1.792 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 11 -ATOM 17126 H HG22 . VAL A 1 69 ? 6.876 2.506 1.502 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 11 -ATOM 17127 H HG23 . VAL A 1 69 ? 6.776 3.706 0.219 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 11 -ATOM 17128 N N . ILE A 1 70 ? 10.255 1.415 -2.113 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 11 -ATOM 17129 C CA . ILE A 1 70 ? 11.523 1.080 -2.634 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 11 -ATOM 17130 C C . ILE A 1 70 ? 12.218 2.366 -2.986 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 11 -ATOM 17131 O O . ILE A 1 70 ? 11.987 2.925 -4.057 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 11 -ATOM 17132 C CB . ILE A 1 70 ? 11.405 0.206 -3.900 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 11 -ATOM 17133 C CG1 . ILE A 1 70 ? 10.420 -0.945 -3.662 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 11 -ATOM 17134 C CG2 . ILE A 1 70 ? 12.777 -0.347 -4.266 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 11 -ATOM 17135 C CD1 . ILE A 1 70 ? 10.152 -1.783 -4.886 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 11 -ATOM 17136 H H . ILE A 1 70 ? 9.536 1.648 -2.743 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 11 -ATOM 17137 H HA . ILE A 1 70 ? 12.085 0.548 -1.882 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 11 -ATOM 17138 H HB . ILE A 1 70 ? 11.048 0.818 -4.715 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 11 -ATOM 17139 H HG12 . ILE A 1 70 ? 10.810 -1.596 -2.893 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 11 -ATOM 17140 H HG13 . ILE A 1 70 ? 9.481 -0.534 -3.324 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 11 -ATOM 17141 H HG21 . ILE A 1 70 ? 12.700 -0.945 -5.162 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 11 -ATOM 17142 H HG22 . ILE A 1 70 ? 13.141 -0.966 -3.461 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 11 -ATOM 17143 H HG23 . ILE A 1 70 ? 13.465 0.469 -4.433 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 11 -ATOM 17144 H HD11 . ILE A 1 70 ? 9.746 -1.160 -5.669 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 11 -ATOM 17145 H HD12 . ILE A 1 70 ? 9.437 -2.554 -4.634 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 11 -ATOM 17146 H HD13 . ILE A 1 70 ? 11.071 -2.237 -5.225 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 11 -ATOM 17147 N N . ASP A 1 71 ? 13.034 2.851 -2.088 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 11 -ATOM 17148 C CA . ASP A 1 71 ? 13.742 4.115 -2.290 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 11 -ATOM 17149 C C . ASP A 1 71 ? 14.814 3.953 -3.355 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 11 -ATOM 17150 O O . ASP A 1 71 ? 15.163 4.897 -4.046 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 11 -ATOM 17151 C CB . ASP A 1 71 ? 14.325 4.630 -0.970 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 11 -ATOM 17152 C CG . ASP A 1 71 ? 15.066 5.946 -1.111 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 11 -ATOM 17153 O OD1 . ASP A 1 71 ? 14.420 7.001 -1.219 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 11 -ATOM 17154 O OD2 . ASP A 1 71 ? 16.317 5.948 -1.063 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 11 -ATOM 17155 H H . ASP A 1 71 ? 13.168 2.355 -1.248 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 11 -ATOM 17156 H HA . ASP A 1 71 ? 13.020 4.827 -2.662 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 11 -ATOM 17157 H HB2 . ASP A 1 71 ? 13.516 4.777 -0.268 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 11 -ATOM 17158 H HB3 . ASP A 1 71 ? 15.004 3.890 -0.574 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 11 -ATOM 17159 N N . GLU A 1 72 ? 15.273 2.717 -3.517 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 11 -ATOM 17160 C CA . GLU A 1 72 ? 16.251 2.354 -4.546 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 11 -ATOM 17161 C C . GLU A 1 72 ? 15.690 2.625 -5.942 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 11 -ATOM 17162 O O . GLU A 1 72 ? 16.412 3.011 -6.854 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 11 -ATOM 17163 C CB . GLU A 1 72 ? 16.584 0.868 -4.461 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 11 -ATOM 17164 C CG . GLU A 1 72 ? 17.186 0.408 -3.154 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 11 -ATOM 17165 C CD . GLU A 1 72 ? 17.468 -1.069 -3.181 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 11 -ATOM 17166 O OE1 . GLU A 1 72 ? 18.527 -1.472 -3.669 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 11 -ATOM 17167 O OE2 . GLU A 1 72 ? 16.610 -1.864 -2.730 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 11 -ATOM 17168 H H . GLU A 1 72 ? 14.961 2.029 -2.893 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 11 -ATOM 17169 H HA . GLU A 1 72 ? 17.155 2.926 -4.393 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 11 -ATOM 17170 H HB2 . GLU A 1 72 ? 15.675 0.307 -4.614 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 11 -ATOM 17171 H HB3 . GLU A 1 72 ? 17.273 0.624 -5.255 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 11 -ATOM 17172 H HG2 . GLU A 1 72 ? 18.112 0.937 -2.988 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 11 -ATOM 17173 H HG3 . GLU A 1 72 ? 16.494 0.617 -2.351 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 11 -ATOM 17174 N N . LYS A 1 73 ? 14.397 2.392 -6.097 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 11 -ATOM 17175 C CA . LYS A 1 73 ? 13.731 2.556 -7.384 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 11 -ATOM 17176 C C . LYS A 1 73 ? 12.836 3.795 -7.379 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 11 -ATOM 17177 O O . LYS A 1 73 ? 12.194 4.125 -8.392 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 11 -ATOM 17178 C CB . LYS A 1 73 ? 12.905 1.311 -7.700 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 11 -ATOM 17179 C CG . LYS A 1 73 ? 13.714 0.029 -7.773 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 11 -ATOM 17180 C CD . LYS A 1 73 ? 12.819 -1.171 -8.021 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 11 -ATOM 17181 C CE . LYS A 1 73 ? 13.617 -2.460 -8.032 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 11 -ATOM 17182 N NZ . LYS A 1 73 ? 12.749 -3.640 -8.166 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 11 -ATOM 17183 H H . LYS A 1 73 ? 13.879 2.107 -5.318 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 11 -ATOM 17184 H HA . LYS A 1 73 ? 14.491 2.672 -8.142 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 11 -ATOM 17185 H HB2 . LYS A 1 73 ? 12.183 1.184 -6.909 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 11 -ATOM 17186 H HB3 . LYS A 1 73 ? 12.393 1.447 -8.641 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 11 -ATOM 17187 H HG2 . LYS A 1 73 ? 14.436 0.107 -8.569 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 11 -ATOM 17188 H HG3 . LYS A 1 73 ? 14.233 -0.109 -6.835 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 11 -ATOM 17189 H HD2 . LYS A 1 73 ? 12.070 -1.227 -7.244 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 11 -ATOM 17190 H HD3 . LYS A 1 73 ? 12.332 -1.052 -8.978 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 11 -ATOM 17191 H HE2 . LYS A 1 73 ? 14.304 -2.436 -8.865 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 11 -ATOM 17192 H HE3 . LYS A 1 73 ? 14.177 -2.536 -7.112 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 11 -ATOM 17193 H HZ1 . LYS A 1 73 ? 13.327 -4.504 -8.189 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 11 -ATOM 17194 H HZ2 . LYS A 1 73 ? 12.205 -3.596 -9.050 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 11 -ATOM 17195 H HZ3 . LYS A 1 73 ? 12.073 -3.719 -7.381 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 11 -ATOM 17196 N N . VAL A 1 74 ? 12.798 4.457 -6.220 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 11 -ATOM 17197 C CA . VAL A 1 74 ? 12.004 5.674 -5.960 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 11 -ATOM 17198 C C . VAL A 1 74 ? 10.488 5.398 -6.210 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 11 -ATOM 17199 O O . VAL A 1 74 ? 9.701 6.278 -6.562 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 11 -ATOM 17200 C CB . VAL A 1 74 ? 12.525 6.892 -6.809 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 11 -ATOM 17201 C CG1 . VAL A 1 74 ? 11.915 8.202 -6.331 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 11 -ATOM 17202 C CG2 . VAL A 1 74 ? 14.051 6.984 -6.761 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 11 -ATOM 17203 H H . VAL A 1 74 ? 13.348 4.120 -5.483 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 11 -ATOM 17204 H HA . VAL A 1 74 ? 12.119 5.897 -4.908 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 11 -ATOM 17205 H HB . VAL A 1 74 ? 12.225 6.734 -7.835 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 11 -ATOM 17206 H HG11 . VAL A 1 74 ? 12.165 8.361 -5.292 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 11 -ATOM 17207 H HG12 . VAL A 1 74 ? 10.843 8.155 -6.445 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 11 -ATOM 17208 H HG13 . VAL A 1 74 ? 12.303 9.017 -6.923 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 11 -ATOM 17209 H HG21 . VAL A 1 74 ? 14.477 6.071 -7.152 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 11 -ATOM 17210 H HG22 . VAL A 1 74 ? 14.373 7.120 -5.739 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 11 -ATOM 17211 H HG23 . VAL A 1 74 ? 14.385 7.819 -7.359 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 11 -ATOM 17212 N N . VAL A 1 75 ? 10.070 4.186 -5.944 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 11 -ATOM 17213 C CA . VAL A 1 75 ? 8.700 3.813 -6.193 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 11 -ATOM 17214 C C . VAL A 1 75 ? 8.084 3.150 -4.967 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 11 -ATOM 17215 O O . VAL A 1 75 ? 8.746 2.396 -4.245 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 11 -ATOM 17216 C CB . VAL A 1 75 ? 8.554 2.894 -7.463 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 11 -ATOM 17217 C CG1 . VAL A 1 75 ? 9.289 1.580 -7.296 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 11 -ATOM 17218 C CG2 . VAL A 1 75 ? 7.091 2.645 -7.830 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 11 -ATOM 17219 H H . VAL A 1 75 ? 10.683 3.538 -5.534 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 11 -ATOM 17220 H HA . VAL A 1 75 ? 8.161 4.731 -6.377 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 11 -ATOM 17221 H HB . VAL A 1 75 ? 9.023 3.414 -8.286 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 11 -ATOM 17222 H HG11 . VAL A 1 75 ? 10.334 1.793 -7.136 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 11 -ATOM 17223 H HG12 . VAL A 1 75 ? 9.165 0.987 -8.190 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 11 -ATOM 17224 H HG13 . VAL A 1 75 ? 8.890 1.047 -6.445 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 11 -ATOM 17225 H HG21 . VAL A 1 75 ? 6.595 2.156 -7.004 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 11 -ATOM 17226 H HG22 . VAL A 1 75 ? 7.041 2.014 -8.705 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 11 -ATOM 17227 H HG23 . VAL A 1 75 ? 6.601 3.585 -8.036 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 11 -ATOM 17228 N N . VAL A 1 76 ? 6.866 3.496 -4.711 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 11 -ATOM 17229 C CA . VAL A 1 76 ? 6.087 2.913 -3.681 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 11 -ATOM 17230 C C . VAL A 1 76 ? 5.199 1.873 -4.343 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 11 -ATOM 17231 O O . VAL A 1 76 ? 4.343 2.199 -5.175 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 11 -ATOM 17232 C CB . VAL A 1 76 ? 5.227 3.985 -2.978 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 11 -ATOM 17233 C CG1 . VAL A 1 76 ? 4.374 3.378 -1.892 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 11 -ATOM 17234 C CG2 . VAL A 1 76 ? 6.110 5.076 -2.406 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 11 -ATOM 17235 H H . VAL A 1 76 ? 6.433 4.189 -5.258 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 11 -ATOM 17236 H HA . VAL A 1 76 ? 6.743 2.438 -2.967 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 11 -ATOM 17237 H HB . VAL A 1 76 ? 4.583 4.433 -3.719 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 11 -ATOM 17238 H HG11 . VAL A 1 76 ? 5.008 2.907 -1.154 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 11 -ATOM 17239 H HG12 . VAL A 1 76 ? 3.711 2.642 -2.321 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 11 -ATOM 17240 H HG13 . VAL A 1 76 ? 3.790 4.152 -1.417 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 11 -ATOM 17241 H HG21 . VAL A 1 76 ? 6.807 4.641 -1.707 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 11 -ATOM 17242 H HG22 . VAL A 1 76 ? 5.497 5.804 -1.895 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 11 -ATOM 17243 H HG23 . VAL A 1 76 ? 6.654 5.556 -3.207 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 11 -ATOM 17244 N N . PHE A 1 77 ? 5.420 0.654 -4.002 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 11 -ATOM 17245 C CA . PHE A 1 77 ? 4.752 -0.449 -4.616 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 11 -ATOM 17246 C C . PHE A 1 77 ? 3.712 -1.013 -3.662 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 11 -ATOM 17247 O O . PHE A 1 77 ? 4.058 -1.581 -2.630 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 11 -ATOM 17248 C CB . PHE A 1 77 ? 5.814 -1.507 -4.967 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 11 -ATOM 17249 C CG . PHE A 1 77 ? 5.317 -2.723 -5.685 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 11 -ATOM 17250 C CD1 . PHE A 1 77 ? 5.132 -2.700 -7.051 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 11 -ATOM 17251 C CD2 . PHE A 1 77 ? 5.063 -3.900 -4.996 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 11 -ATOM 17252 C CE1 . PHE A 1 77 ? 4.703 -3.821 -7.720 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 11 -ATOM 17253 C CE2 . PHE A 1 77 ? 4.629 -5.024 -5.661 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 11 -ATOM 17254 C CZ . PHE A 1 77 ? 4.449 -4.985 -7.026 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 11 -ATOM 17255 H H . PHE A 1 77 ? 6.062 0.472 -3.278 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 11 -ATOM 17256 H HA . PHE A 1 77 ? 4.280 -0.116 -5.527 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 11 -ATOM 17257 H HB2 . PHE A 1 77 ? 6.564 -1.050 -5.596 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 11 -ATOM 17258 H HB3 . PHE A 1 77 ? 6.289 -1.830 -4.052 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 11 -ATOM 17259 H HD1 . PHE A 1 77 ? 5.328 -1.789 -7.597 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 11 -ATOM 17260 H HD2 . PHE A 1 77 ? 5.206 -3.929 -3.927 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 11 -ATOM 17261 H HE1 . PHE A 1 77 ? 4.563 -3.787 -8.789 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 11 -ATOM 17262 H HE2 . PHE A 1 77 ? 4.431 -5.934 -5.114 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 11 -ATOM 17263 H HZ . PHE A 1 77 ? 4.110 -5.864 -7.554 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 11 -ATOM 17264 N N . VAL A 1 78 ? 2.452 -0.823 -3.988 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 11 -ATOM 17265 C CA . VAL A 1 78 ? 1.366 -1.343 -3.183 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 11 -ATOM 17266 C C . VAL A 1 78 ? 1.293 -2.833 -3.380 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 11 -ATOM 17267 O O . VAL A 1 78 ? 1.147 -3.320 -4.512 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 11 -ATOM 17268 C CB . VAL A 1 78 ? -0.000 -0.682 -3.527 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 11 -ATOM 17269 C CG1 . VAL A 1 78 ? -1.133 -1.268 -2.672 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 11 -ATOM 17270 C CG2 . VAL A 1 78 ? 0.077 0.825 -3.333 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 11 -ATOM 17271 H H . VAL A 1 78 ? 2.248 -0.330 -4.814 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 11 -ATOM 17272 H HA . VAL A 1 78 ? 1.608 -1.149 -2.150 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 11 -ATOM 17273 H HB . VAL A 1 78 ? -0.222 -0.881 -4.564 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 11 -ATOM 17274 H HG11 . VAL A 1 78 ? -0.919 -1.108 -1.626 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 11 -ATOM 17275 H HG12 . VAL A 1 78 ? -1.215 -2.329 -2.857 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 11 -ATOM 17276 H HG13 . VAL A 1 78 ? -2.069 -0.785 -2.920 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 11 -ATOM 17277 H HG21 . VAL A 1 78 ? -0.878 1.267 -3.574 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 11 -ATOM 17278 H HG22 . VAL A 1 78 ? 0.837 1.235 -3.981 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 11 -ATOM 17279 H HG23 . VAL A 1 78 ? 0.324 1.048 -2.305 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 11 -ATOM 17280 N N . ILE A 1 79 ? 1.413 -3.544 -2.296 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 11 -ATOM 17281 C CA . ILE A 1 79 ? 1.466 -4.973 -2.335 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 11 -ATOM 17282 C C . ILE A 1 79 ? 0.075 -5.545 -2.107 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 11 -ATOM 17283 O O . ILE A 1 79 ? -0.351 -6.493 -2.773 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 11 -ATOM 17284 C CB . ILE A 1 79 ? 2.397 -5.509 -1.215 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 11 -ATOM 17285 C CG1 . ILE A 1 79 ? 3.774 -4.843 -1.273 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 11 -ATOM 17286 C CG2 . ILE A 1 79 ? 2.553 -7.008 -1.344 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 11 -ATOM 17287 C CD1 . ILE A 1 79 ? 4.702 -5.276 -0.156 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 11 -ATOM 17288 H H . ILE A 1 79 ? 1.452 -3.089 -1.426 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 11 -ATOM 17289 H HA . ILE A 1 79 ? 1.857 -5.293 -3.289 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 11 -ATOM 17290 H HB . ILE A 1 79 ? 1.939 -5.289 -0.262 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 11 -ATOM 17291 H HG12 . ILE A 1 79 ? 4.247 -5.090 -2.212 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 11 -ATOM 17292 H HG13 . ILE A 1 79 ? 3.653 -3.772 -1.211 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 11 -ATOM 17293 H HG21 . ILE A 1 79 ? 1.578 -7.471 -1.318 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 11 -ATOM 17294 H HG22 . ILE A 1 79 ? 3.154 -7.380 -0.527 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 11 -ATOM 17295 H HG23 . ILE A 1 79 ? 3.036 -7.233 -2.284 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 11 -ATOM 17296 H HD11 . ILE A 1 79 ? 5.657 -4.789 -0.275 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 11 -ATOM 17297 H HD12 . ILE A 1 79 ? 4.834 -6.347 -0.196 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 11 -ATOM 17298 H HD13 . ILE A 1 79 ? 4.272 -5.001 0.796 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 11 -ATOM 17299 N N . SER A 1 80 ? -0.638 -4.971 -1.168 1.00 0.00 ? ? ? ? ? ? 77 SER A N 11 -ATOM 17300 C CA . SER A 1 80 ? -1.936 -5.470 -0.800 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 11 -ATOM 17301 C C . SER A 1 80 ? -2.784 -4.350 -0.245 1.00 0.00 ? ? ? ? ? ? 77 SER A C 11 -ATOM 17302 O O . SER A 1 80 ? -2.259 -3.369 0.293 1.00 0.00 ? ? ? ? ? ? 77 SER A O 11 -ATOM 17303 C CB . SER A 1 80 ? -1.780 -6.577 0.245 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 11 -ATOM 17304 O OG . SER A 1 80 ? -0.946 -7.604 -0.249 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 11 -ATOM 17305 H H . SER A 1 80 ? -0.306 -4.176 -0.693 1.00 0.00 ? ? ? ? ? ? 77 SER A H 11 -ATOM 17306 H HA . SER A 1 80 ? -2.409 -5.886 -1.677 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 11 -ATOM 17307 H HB2 . SER A 1 80 ? -1.334 -6.168 1.139 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 11 -ATOM 17308 H HB3 . SER A 1 80 ? -2.748 -6.994 0.479 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 11 -ATOM 17309 H HG . SER A 1 80 ? -0.751 -7.406 -1.176 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 11 -ATOM 17310 N N . VAL A 1 81 ? -4.068 -4.487 -0.375 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 11 -ATOM 17311 C CA . VAL A 1 81 ? -4.995 -3.513 0.110 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 11 -ATOM 17312 C C . VAL A 1 81 ? -6.278 -4.238 0.514 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 11 -ATOM 17313 O O . VAL A 1 81 ? -6.636 -5.246 -0.106 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 11 -ATOM 17314 C CB . VAL A 1 81 ? -5.264 -2.412 -0.974 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 11 -ATOM 17315 C CG1 . VAL A 1 81 ? -5.895 -2.981 -2.237 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 11 -ATOM 17316 C CG2 . VAL A 1 81 ? -6.088 -1.272 -0.422 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 11 -ATOM 17317 H H . VAL A 1 81 ? -4.456 -5.282 -0.801 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 11 -ATOM 17318 H HA . VAL A 1 81 ? -4.561 -3.054 0.987 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 11 -ATOM 17319 H HB . VAL A 1 81 ? -4.300 -2.020 -1.264 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 11 -ATOM 17320 H HG11 . VAL A 1 81 ? -6.064 -2.186 -2.947 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 11 -ATOM 17321 H HG12 . VAL A 1 81 ? -6.837 -3.445 -1.988 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 11 -ATOM 17322 H HG13 . VAL A 1 81 ? -5.233 -3.716 -2.672 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 11 -ATOM 17323 H HG21 . VAL A 1 81 ? -5.558 -0.831 0.408 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 11 -ATOM 17324 H HG22 . VAL A 1 81 ? -7.049 -1.640 -0.093 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 11 -ATOM 17325 H HG23 . VAL A 1 81 ? -6.223 -0.530 -1.196 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 11 -ATOM 17326 N N . GLY A 1 82 ? -6.908 -3.795 1.573 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 11 -ATOM 17327 C CA . GLY A 1 82 ? -8.122 -4.425 2.006 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 11 -ATOM 17328 C C . GLY A 1 82 ? -8.367 -4.214 3.467 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 11 -ATOM 17329 O O . GLY A 1 82 ? -8.264 -3.103 3.957 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 11 -ATOM 17330 H H . GLY A 1 82 ? -6.552 -3.040 2.095 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 11 -ATOM 17331 H HA2 . GLY A 1 82 ? -8.954 -4.028 1.444 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 11 -ATOM 17332 H HA3 . GLY A 1 82 ? -8.038 -5.484 1.821 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 11 -ATOM 17333 N N . LYS A 1 83 ? -8.677 -5.262 4.172 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 11 -ATOM 17334 C CA . LYS A 1 83 ? -8.964 -5.164 5.581 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 11 -ATOM 17335 C C . LYS A 1 83 ? -8.055 -6.087 6.379 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 11 -ATOM 17336 O O . LYS A 1 83 ? -7.405 -6.973 5.820 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 11 -ATOM 17337 C CB . LYS A 1 83 ? -10.434 -5.479 5.845 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 11 -ATOM 17338 C CG . LYS A 1 83 ? -11.396 -4.544 5.127 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 11 -ATOM 17339 C CD . LYS A 1 83 ? -12.843 -4.876 5.422 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 11 -ATOM 17340 C CE . LYS A 1 83 ? -13.229 -4.535 6.853 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 11 -ATOM 17341 N NZ . LYS A 1 83 ? -14.590 -5.001 7.169 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 11 -ATOM 17342 H H . LYS A 1 83 ? -8.724 -6.145 3.742 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 11 -ATOM 17343 H HA . LYS A 1 83 ? -8.770 -4.144 5.880 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 11 -ATOM 17344 H HB2 . LYS A 1 83 ? -10.628 -6.484 5.497 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 11 -ATOM 17345 H HB3 . LYS A 1 83 ? -10.626 -5.428 6.904 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 11 -ATOM 17346 H HG2 . LYS A 1 83 ? -11.203 -3.530 5.445 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 11 -ATOM 17347 H HG3 . LYS A 1 83 ? -11.225 -4.617 4.063 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 11 -ATOM 17348 H HD2 . LYS A 1 83 ? -13.464 -4.307 4.748 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 11 -ATOM 17349 H HD3 . LYS A 1 83 ? -13.000 -5.932 5.253 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 11 -ATOM 17350 H HE2 . LYS A 1 83 ? -12.532 -5.004 7.532 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 11 -ATOM 17351 H HE3 . LYS A 1 83 ? -13.186 -3.463 6.979 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 11 -ATOM 17352 H HZ1 . LYS A 1 83 ? -14.873 -4.708 8.127 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 11 -ATOM 17353 H HZ2 . LYS A 1 83 ? -14.580 -6.044 7.155 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 11 -ATOM 17354 H HZ3 . LYS A 1 83 ? -15.293 -4.676 6.476 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 11 -ATOM 17355 N N . ALA A 1 84 ? -8.031 -5.902 7.680 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 11 -ATOM 17356 C CA . ALA A 1 84 ? -7.149 -6.670 8.541 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 11 -ATOM 17357 C C . ALA A 1 84 ? -7.841 -7.901 9.087 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 11 -ATOM 17358 O O . ALA A 1 84 ? -7.260 -8.651 9.870 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 11 -ATOM 17359 C CB . ALA A 1 84 ? -6.629 -5.809 9.673 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 11 -ATOM 17360 H H . ALA A 1 84 ? -8.637 -5.246 8.092 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 11 -ATOM 17361 H HA . ALA A 1 84 ? -6.306 -6.987 7.945 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 11 -ATOM 17362 H HB1 . ALA A 1 84 ? -7.452 -5.510 10.304 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 11 -ATOM 17363 H HB2 . ALA A 1 84 ? -6.154 -4.928 9.264 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 11 -ATOM 17364 H HB3 . ALA A 1 84 ? -5.912 -6.367 10.256 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 11 -ATOM 17365 N N . GLU A 1 85 ? -9.064 -8.118 8.654 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 11 -ATOM 17366 C CA . GLU A 1 85 ? -9.837 -9.246 9.100 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 11 -ATOM 17367 C C . GLU A 1 85 ? -9.200 -10.538 8.633 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 11 -ATOM 17368 O O . GLU A 1 85 ? -8.855 -10.681 7.448 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 11 -ATOM 17369 C CB . GLU A 1 85 ? -11.302 -9.126 8.650 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 11 -ATOM 17370 C CG . GLU A 1 85 ? -11.495 -8.847 7.167 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 11 -ATOM 17371 C CD . GLU A 1 85 ? -12.948 -8.729 6.786 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 11 -ATOM 17372 O OE1 . GLU A 1 85 ? -13.563 -7.671 7.043 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 11 -ATOM 17373 O OE2 . GLU A 1 85 ? -13.503 -9.691 6.227 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 11 -ATOM 17374 H H . GLU A 1 85 ? -9.445 -7.515 7.986 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 11 -ATOM 17375 H HA . GLU A 1 85 ? -9.801 -9.233 10.179 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 11 -ATOM 17376 H HB2 . GLU A 1 85 ? -11.813 -10.047 8.886 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 11 -ATOM 17377 H HB3 . GLU A 1 85 ? -11.760 -8.324 9.209 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 11 -ATOM 17378 H HG2 . GLU A 1 85 ? -11.004 -7.917 6.929 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 11 -ATOM 17379 H HG3 . GLU A 1 85 ? -11.045 -9.647 6.598 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 11 -ATOM 17380 N N . ALA A 1 86 ? -8.962 -11.431 9.594 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 11 -ATOM 17381 C CA . ALA A 1 86 ? -8.339 -12.736 9.370 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 11 -ATOM 17382 C C . ALA A 1 86 ? -6.881 -12.585 8.920 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 11 -ATOM 17383 O O . ALA A 1 86 ? -6.292 -13.521 8.391 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 11 -ATOM 17384 C CB . ALA A 1 86 ? -9.150 -13.553 8.365 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 11 -ATOM 17385 H H . ALA A 1 86 ? -9.222 -11.203 10.514 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 11 -ATOM 17386 H HA . ALA A 1 86 ? -8.341 -13.259 10.316 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 11 -ATOM 17387 H HB1 . ALA A 1 86 ? -8.725 -14.539 8.255 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 11 -ATOM 17388 H HB2 . ALA A 1 86 ? -9.127 -13.032 7.419 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 11 -ATOM 17389 H HB3 . ALA A 1 86 ? -10.173 -13.623 8.706 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 11 -ATOM 17390 N N . SER A 1 87 ? -6.302 -11.396 9.169 1.00 0.00 ? ? ? ? ? ? 84 SER A N 11 -ATOM 17391 C CA . SER A 1 87 ? -4.921 -11.068 8.787 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 11 -ATOM 17392 C C . SER A 1 87 ? -4.744 -11.147 7.249 1.00 0.00 ? ? ? ? ? ? 84 SER A C 11 -ATOM 17393 O O . SER A 1 87 ? -3.631 -11.319 6.751 1.00 0.00 ? ? ? ? ? ? 84 SER A O 11 -ATOM 17394 C CB . SER A 1 87 ? -3.939 -12.023 9.504 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 11 -ATOM 17395 O OG . SER A 1 87 ? -4.159 -12.006 10.919 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 11 -ATOM 17396 H H . SER A 1 87 ? -6.834 -10.719 9.642 1.00 0.00 ? ? ? ? ? ? 84 SER A H 11 -ATOM 17397 H HA . SER A 1 87 ? -4.726 -10.056 9.107 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 11 -ATOM 17398 H HB2 . SER A 1 87 ? -4.092 -13.029 9.141 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 11 -ATOM 17399 H HB3 . SER A 1 87 ? -2.923 -11.716 9.304 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 11 -ATOM 17400 H HG . SER A 1 87 ? -5.106 -11.850 11.047 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 11 -ATOM 17401 N N . GLU A 1 88 ? -5.843 -10.876 6.523 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 11 -ATOM 17402 C CA . GLU A 1 88 ? -5.914 -11.041 5.060 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 11 -ATOM 17403 C C . GLU A 1 88 ? -4.827 -10.218 4.346 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 11 -ATOM 17404 O O . GLU A 1 88 ? -4.061 -10.761 3.548 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 11 -ATOM 17405 C CB . GLU A 1 88 ? -7.305 -10.606 4.574 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 11 -ATOM 17406 C CG . GLU A 1 88 ? -7.639 -10.980 3.135 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 11 -ATOM 17407 C CD . GLU A 1 88 ? -7.750 -12.473 2.935 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 11 -ATOM 17408 O OE1 . GLU A 1 88 ? -8.766 -13.079 3.376 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 11 -ATOM 17409 O OE2 . GLU A 1 88 ? -6.828 -13.092 2.371 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 11 -ATOM 17410 H H . GLU A 1 88 ? -6.657 -10.590 6.991 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 11 -ATOM 17411 H HA . GLU A 1 88 ? -5.779 -12.087 4.829 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 11 -ATOM 17412 H HB2 . GLU A 1 88 ? -8.048 -11.061 5.213 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 11 -ATOM 17413 H HB3 . GLU A 1 88 ? -7.380 -9.533 4.671 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 11 -ATOM 17414 H HG2 . GLU A 1 88 ? -8.579 -10.523 2.863 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 11 -ATOM 17415 H HG3 . GLU A 1 88 ? -6.857 -10.602 2.493 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 11 -ATOM 17416 N N . VAL A 1 89 ? -4.730 -8.930 4.676 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 11 -ATOM 17417 C CA . VAL A 1 89 ? -3.726 -8.053 4.053 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 11 -ATOM 17418 C C . VAL A 1 89 ? -2.291 -8.475 4.345 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 11 -ATOM 17419 O O . VAL A 1 89 ? -1.407 -8.207 3.559 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 11 -ATOM 17420 C CB . VAL A 1 89 ? -3.901 -6.551 4.413 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 11 -ATOM 17421 C CG1 . VAL A 1 89 ? -5.153 -5.993 3.782 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 11 -ATOM 17422 C CG2 . VAL A 1 89 ? -3.926 -6.342 5.926 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 11 -ATOM 17423 H H . VAL A 1 89 ? -5.364 -8.559 5.324 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 11 -ATOM 17424 H HA . VAL A 1 89 ? -3.868 -8.153 2.986 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 11 -ATOM 17425 H HB . VAL A 1 89 ? -3.057 -6.011 4.009 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 11 -ATOM 17426 H HG11 . VAL A 1 89 ? -5.091 -6.088 2.708 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 11 -ATOM 17427 H HG12 . VAL A 1 89 ? -5.256 -4.950 4.046 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 11 -ATOM 17428 H HG13 . VAL A 1 89 ? -6.009 -6.542 4.143 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 11 -ATOM 17429 H HG21 . VAL A 1 89 ? -4.050 -5.291 6.142 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 11 -ATOM 17430 H HG22 . VAL A 1 89 ? -3.001 -6.696 6.356 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 11 -ATOM 17431 H HG23 . VAL A 1 89 ? -4.751 -6.897 6.348 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 11 -ATOM 17432 N N . TYR A 1 90 ? -2.071 -9.157 5.450 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 11 -ATOM 17433 C CA . TYR A 1 90 ? -0.728 -9.555 5.810 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 11 -ATOM 17434 C C . TYR A 1 90 ? -0.334 -10.803 5.043 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 11 -ATOM 17435 O O . TYR A 1 90 ? 0.777 -10.889 4.512 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 11 -ATOM 17436 C CB . TYR A 1 90 ? -0.584 -9.773 7.320 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 11 -ATOM 17437 C CG . TYR A 1 90 ? -0.877 -8.542 8.164 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 11 -ATOM 17438 C CD1 . TYR A 1 90 ? -0.115 -7.384 8.035 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 11 -ATOM 17439 C CD2 . TYR A 1 90 ? -1.910 -8.542 9.091 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 11 -ATOM 17440 C CE1 . TYR A 1 90 ? -0.376 -6.266 8.808 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 11 -ATOM 17441 C CE2 . TYR A 1 90 ? -2.174 -7.430 9.867 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 11 -ATOM 17442 C CZ . TYR A 1 90 ? -1.408 -6.297 9.724 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 11 -ATOM 17443 O OH . TYR A 1 90 ? -1.677 -5.185 10.502 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 11 -ATOM 17444 H H . TYR A 1 90 ? -2.831 -9.430 6.004 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 11 -ATOM 17445 H HA . TYR A 1 90 ? -0.071 -8.753 5.505 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 11 -ATOM 17446 H HB2 . TYR A 1 90 ? -1.261 -10.556 7.626 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 11 -ATOM 17447 H HB3 . TYR A 1 90 ? 0.428 -10.087 7.530 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 11 -ATOM 17448 H HD1 . TYR A 1 90 ? 0.692 -7.363 7.317 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 11 -ATOM 17449 H HD2 . TYR A 1 90 ? -2.512 -9.431 9.207 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 11 -ATOM 17450 H HE1 . TYR A 1 90 ? 0.228 -5.378 8.693 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 11 -ATOM 17451 H HE2 . TYR A 1 90 ? -2.980 -7.448 10.584 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 11 -ATOM 17452 H HH . TYR A 1 90 ? -1.599 -5.467 11.422 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 11 -ATOM 17453 N N . SER A 1 91 ? -1.263 -11.746 4.956 1.00 0.00 ? ? ? ? ? ? 88 SER A N 11 -ATOM 17454 C CA . SER A 1 91 ? -1.047 -12.986 4.230 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 11 -ATOM 17455 C C . SER A 1 91 ? -0.858 -12.693 2.738 1.00 0.00 ? ? ? ? ? ? 88 SER A C 11 -ATOM 17456 O O . SER A 1 91 ? 0.024 -13.261 2.079 1.00 0.00 ? ? ? ? ? ? 88 SER A O 11 -ATOM 17457 C CB . SER A 1 91 ? -2.249 -13.899 4.442 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 11 -ATOM 17458 O OG . SER A 1 91 ? -2.514 -14.057 5.830 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 11 -ATOM 17459 H H . SER A 1 91 ? -2.129 -11.628 5.406 1.00 0.00 ? ? ? ? ? ? 88 SER A H 11 -ATOM 17460 H HA . SER A 1 91 ? -0.163 -13.466 4.620 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 11 -ATOM 17461 H HB2 . SER A 1 91 ? -3.114 -13.462 3.967 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 11 -ATOM 17462 H HB3 . SER A 1 91 ? -2.048 -14.869 4.014 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 11 -ATOM 17463 H HG . SER A 1 91 ? -3.052 -14.852 5.930 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 11 -ATOM 17464 N N . GLU A 1 92 ? -1.672 -11.776 2.227 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 11 -ATOM 17465 C CA . GLU A 1 92 ? -1.610 -11.366 0.843 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 11 -ATOM 17466 C C . GLU A 1 92 ? -0.241 -10.732 0.569 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 11 -ATOM 17467 O O . GLU A 1 92 ? 0.447 -11.102 -0.396 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 11 -ATOM 17468 C CB . GLU A 1 92 ? -2.728 -10.347 0.564 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 11 -ATOM 17469 C CG . GLU A 1 92 ? -2.972 -10.023 -0.909 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 11 -ATOM 17470 C CD . GLU A 1 92 ? -3.535 -11.188 -1.672 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 11 -ATOM 17471 O OE1 . GLU A 1 92 ? -4.672 -11.594 -1.393 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 11 -ATOM 17472 O OE2 . GLU A 1 92 ? -2.861 -11.731 -2.563 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 11 -ATOM 17473 H H . GLU A 1 92 ? -2.353 -11.366 2.806 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 11 -ATOM 17474 H HA . GLU A 1 92 ? -1.751 -12.234 0.216 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 11 -ATOM 17475 H HB2 . GLU A 1 92 ? -3.653 -10.726 0.973 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 11 -ATOM 17476 H HB3 . GLU A 1 92 ? -2.480 -9.428 1.074 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 11 -ATOM 17477 H HG2 . GLU A 1 92 ? -3.668 -9.201 -0.979 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 11 -ATOM 17478 H HG3 . GLU A 1 92 ? -2.032 -9.737 -1.359 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 11 -ATOM 17479 N N . ALA A 1 93 ? 0.169 -9.837 1.469 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 11 -ATOM 17480 C CA . ALA A 1 93 ? 1.404 -9.078 1.337 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 11 -ATOM 17481 C C . ALA A 1 93 ? 2.633 -9.957 1.319 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 11 -ATOM 17482 O O . ALA A 1 93 ? 3.436 -9.879 0.386 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 11 -ATOM 17483 C CB . ALA A 1 93 ? 1.522 -8.027 2.431 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 11 -ATOM 17484 H H . ALA A 1 93 ? -0.398 -9.666 2.251 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 11 -ATOM 17485 H HA . ALA A 1 93 ? 1.350 -8.557 0.394 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 11 -ATOM 17486 H HB1 . ALA A 1 93 ? 1.622 -8.516 3.389 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 11 -ATOM 17487 H HB2 . ALA A 1 93 ? 0.635 -7.411 2.434 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 11 -ATOM 17488 H HB3 . ALA A 1 93 ? 2.390 -7.410 2.247 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 11 -ATOM 17489 N N . VAL A 1 94 ? 2.775 -10.813 2.322 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 11 -ATOM 17490 C CA . VAL A 1 94 ? 3.959 -11.651 2.427 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 11 -ATOM 17491 C C . VAL A 1 94 ? 4.071 -12.606 1.228 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 11 -ATOM 17492 O O . VAL A 1 94 ? 5.158 -12.818 0.684 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 11 -ATOM 17493 C CB . VAL A 1 94 ? 4.041 -12.412 3.795 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 11 -ATOM 17494 C CG1 . VAL A 1 94 ? 2.918 -13.426 3.974 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 11 -ATOM 17495 C CG2 . VAL A 1 94 ? 5.409 -13.058 3.989 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 11 -ATOM 17496 H H . VAL A 1 94 ? 2.067 -10.875 3.005 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 11 -ATOM 17497 H HA . VAL A 1 94 ? 4.799 -10.974 2.358 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 11 -ATOM 17498 H HB . VAL A 1 94 ? 3.913 -11.671 4.571 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 11 -ATOM 17499 H HG11 . VAL A 1 94 ? 2.971 -14.159 3.182 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 11 -ATOM 17500 H HG12 . VAL A 1 94 ? 1.966 -12.919 3.931 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 11 -ATOM 17501 H HG13 . VAL A 1 94 ? 3.021 -13.919 4.930 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 11 -ATOM 17502 H HG21 . VAL A 1 94 ? 5.597 -13.757 3.188 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 11 -ATOM 17503 H HG22 . VAL A 1 94 ? 5.426 -13.584 4.933 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 11 -ATOM 17504 H HG23 . VAL A 1 94 ? 6.172 -12.294 3.987 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 11 -ATOM 17505 N N . LYS A 1 95 ? 2.936 -13.098 0.758 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 11 -ATOM 17506 C CA . LYS A 1 95 ? 2.928 -14.001 -0.365 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 11 -ATOM 17507 C C . LYS A 1 95 ? 3.270 -13.293 -1.670 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 11 -ATOM 17508 O O . LYS A 1 95 ? 3.749 -13.925 -2.591 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 11 -ATOM 17509 C CB . LYS A 1 95 ? 1.607 -14.760 -0.482 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 11 -ATOM 17510 C CG . LYS A 1 95 ? 1.349 -15.767 0.629 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 11 -ATOM 17511 C CD . LYS A 1 95 ? 2.389 -16.877 0.642 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 11 -ATOM 17512 C CE . LYS A 1 95 ? 2.121 -17.878 1.753 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 11 -ATOM 17513 N NZ . LYS A 1 95 ? 2.147 -17.252 3.086 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 11 -ATOM 17514 H H . LYS A 1 95 ? 2.089 -12.842 1.185 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 11 -ATOM 17515 H HA . LYS A 1 95 ? 3.715 -14.717 -0.182 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 11 -ATOM 17516 H HB2 . LYS A 1 95 ? 0.804 -14.039 -0.448 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 11 -ATOM 17517 H HB3 . LYS A 1 95 ? 1.579 -15.281 -1.427 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 11 -ATOM 17518 H HG2 . LYS A 1 95 ? 1.373 -15.257 1.580 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 11 -ATOM 17519 H HG3 . LYS A 1 95 ? 0.373 -16.204 0.481 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 11 -ATOM 17520 H HD2 . LYS A 1 95 ? 2.362 -17.396 -0.303 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 11 -ATOM 17521 H HD3 . LYS A 1 95 ? 3.369 -16.446 0.788 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 11 -ATOM 17522 H HE2 . LYS A 1 95 ? 1.147 -18.316 1.599 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 11 -ATOM 17523 H HE3 . LYS A 1 95 ? 2.875 -18.650 1.708 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 11 -ATOM 17524 H HZ1 . LYS A 1 95 ? 1.395 -16.540 3.191 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 11 -ATOM 17525 H HZ2 . LYS A 1 95 ? 3.065 -16.808 3.283 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 11 -ATOM 17526 H HZ3 . LYS A 1 95 ? 1.985 -17.971 3.820 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 11 -ATOM 17527 N N . ARG A 1 96 ? 3.067 -11.984 -1.741 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 11 -ATOM 17528 C CA . ARG A 1 96 ? 3.396 -11.250 -2.967 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 11 -ATOM 17529 C C . ARG A 1 96 ? 4.879 -11.008 -3.090 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 11 -ATOM 17530 O O . ARG A 1 96 ? 5.380 -10.673 -4.166 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 11 -ATOM 17531 C CB . ARG A 1 96 ? 2.640 -9.926 -3.107 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 11 -ATOM 17532 C CG . ARG A 1 96 ? 1.131 -10.047 -3.243 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 11 -ATOM 17533 C CD . ARG A 1 96 ? 0.750 -10.993 -4.364 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 11 -ATOM 17534 N NE . ARG A 1 96 ? 1.310 -10.601 -5.652 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 11 -ATOM 17535 C CZ . ARG A 1 96 ? 2.114 -11.355 -6.403 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 11 -ATOM 17536 N NH1 . ARG A 1 96 ? 2.331 -12.619 -6.087 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 11 -ATOM 17537 N NH2 . ARG A 1 96 ? 2.668 -10.844 -7.484 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 11 -ATOM 17538 H H . ARG A 1 96 ? 2.696 -11.501 -0.969 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 11 -ATOM 17539 H HA . ARG A 1 96 ? 3.129 -11.891 -3.788 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 11 -ATOM 17540 H HB2 . ARG A 1 96 ? 2.842 -9.333 -2.227 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 11 -ATOM 17541 H HB3 . ARG A 1 96 ? 3.021 -9.402 -3.971 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 11 -ATOM 17542 H HG2 . ARG A 1 96 ? 0.727 -10.424 -2.315 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 11 -ATOM 17543 H HG3 . ARG A 1 96 ? 0.716 -9.070 -3.447 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 11 -ATOM 17544 H HD2 . ARG A 1 96 ? 1.099 -11.981 -4.113 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 11 -ATOM 17545 H HD3 . ARG A 1 96 ? -0.326 -10.993 -4.429 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 11 -ATOM 17546 H HE . ARG A 1 96 ? 1.067 -9.681 -5.944 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 11 -ATOM 17547 H HH11 . ARG A 1 96 ? 1.914 -13.067 -5.293 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 11 -ATOM 17548 H HH12 . ARG A 1 96 ? 2.940 -13.207 -6.625 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 11 -ATOM 17549 H HH21 . ARG A 1 96 ? 2.477 -9.884 -7.725 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 11 -ATOM 17550 H HH22 . ARG A 1 96 ? 3.299 -11.368 -8.064 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 11 -ATOM 17551 N N . ILE A 1 97 ? 5.574 -11.186 -2.008 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 11 -ATOM 17552 C CA . ILE A 1 97 ? 6.999 -10.992 -1.987 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 11 -ATOM 17553 C C . ILE A 1 97 ? 7.703 -12.243 -2.515 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 11 -ATOM 17554 O O . ILE A 1 97 ? 8.747 -12.158 -3.149 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 11 -ATOM 17555 C CB . ILE A 1 97 ? 7.472 -10.634 -0.559 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 11 -ATOM 17556 C CG1 . ILE A 1 97 ? 6.716 -9.385 -0.094 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 11 -ATOM 17557 C CG2 . ILE A 1 97 ? 8.987 -10.393 -0.519 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 11 -ATOM 17558 C CD1 . ILE A 1 97 ? 6.938 -9.030 1.344 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 11 -ATOM 17559 H H . ILE A 1 97 ? 5.111 -11.455 -1.185 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 11 -ATOM 17560 H HA . ILE A 1 97 ? 7.222 -10.166 -2.648 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 11 -ATOM 17561 H HB . ILE A 1 97 ? 7.225 -11.449 0.105 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 11 -ATOM 17562 H HG12 . ILE A 1 97 ? 7.030 -8.541 -0.690 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 11 -ATOM 17563 H HG13 . ILE A 1 97 ? 5.658 -9.546 -0.241 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 11 -ATOM 17564 H HG21 . ILE A 1 97 ? 9.505 -11.284 -0.840 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 11 -ATOM 17565 H HG22 . ILE A 1 97 ? 9.289 -10.143 0.488 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 11 -ATOM 17566 H HG23 . ILE A 1 97 ? 9.237 -9.575 -1.179 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 11 -ATOM 17567 H HD11 . ILE A 1 97 ? 6.617 -9.865 1.949 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 11 -ATOM 17568 H HD12 . ILE A 1 97 ? 6.347 -8.158 1.579 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 11 -ATOM 17569 H HD13 . ILE A 1 97 ? 7.986 -8.834 1.510 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 11 -ATOM 17570 N N . LEU A 1 98 ? 7.107 -13.388 -2.296 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 11 -ATOM 17571 C CA . LEU A 1 98 ? 7.681 -14.621 -2.774 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 11 -ATOM 17572 C C . LEU A 1 98 ? 6.951 -15.077 -4.030 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 11 -ATOM 17573 O O . LEU A 1 98 ? 6.036 -15.909 -3.942 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 11 -ATOM 17574 C CB . LEU A 1 98 ? 7.682 -15.731 -1.690 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 11 -ATOM 17575 C CG . LEU A 1 98 ? 8.592 -15.532 -0.449 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 11 -ATOM 17576 C CD1 . LEU A 1 98 ? 10.027 -15.222 -0.845 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 11 -ATOM 17577 C CD2 . LEU A 1 98 ? 8.042 -14.489 0.518 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 11 -ATOM 17578 O OXT . LEU A 1 98 ? 7.254 -14.557 -5.118 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 11 -ATOM 17579 H H . LEU A 1 98 ? 6.251 -13.412 -1.822 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 11 -ATOM 17580 H HA . LEU A 1 98 ? 8.701 -14.402 -3.055 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 11 -ATOM 17581 H HB2 . LEU A 1 98 ? 6.667 -15.842 -1.337 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 11 -ATOM 17582 H HB3 . LEU A 1 98 ? 7.970 -16.651 -2.174 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 11 -ATOM 17583 H HG . LEU A 1 98 ? 8.633 -16.479 0.068 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 11 -ATOM 17584 H HD11 . LEU A 1 98 ? 10.418 -16.025 -1.453 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 11 -ATOM 17585 H HD12 . LEU A 1 98 ? 10.627 -15.125 0.048 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 11 -ATOM 17586 H HD13 . LEU A 1 98 ? 10.060 -14.295 -1.397 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 11 -ATOM 17587 H HD21 . LEU A 1 98 ? 7.076 -14.807 0.877 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 11 -ATOM 17588 H HD22 . LEU A 1 98 ? 7.942 -13.545 0.003 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 11 -ATOM 17589 H HD23 . LEU A 1 98 ? 8.720 -14.377 1.352 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 11 -ATOM 17590 N N . MET A 1 4 ? 11.723 15.073 -2.665 1.00 0.00 ? ? ? ? ? ? 1 MET A N 12 -ATOM 17591 C CA . MET A 1 4 ? 11.584 13.999 -3.653 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 12 -ATOM 17592 C C . MET A 1 4 ? 10.218 13.378 -3.528 1.00 0.00 ? ? ? ? ? ? 1 MET A C 12 -ATOM 17593 O O . MET A 1 4 ? 9.720 13.174 -2.412 1.00 0.00 ? ? ? ? ? ? 1 MET A O 12 -ATOM 17594 C CB . MET A 1 4 ? 12.651 12.917 -3.432 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 12 -ATOM 17595 C CG . MET A 1 4 ? 12.605 11.760 -4.433 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 12 -ATOM 17596 S SD . MET A 1 4 ? 13.814 10.460 -4.071 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 12 -ATOM 17597 C CE . MET A 1 4 ? 15.361 11.361 -4.248 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 12 -ATOM 17598 H H . MET A 1 4 ? 11.585 14.695 -1.706 1.00 0.00 ? ? ? ? ? ? 1 MET A H 12 -ATOM 17599 H HA . MET A 1 4 ? 11.694 14.415 -4.642 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 12 -ATOM 17600 H HB2 . MET A 1 4 ? 13.624 13.378 -3.494 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 12 -ATOM 17601 H HB3 . MET A 1 4 ? 12.507 12.509 -2.445 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 12 -ATOM 17602 H HG2 . MET A 1 4 ? 11.617 11.323 -4.411 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 12 -ATOM 17603 H HG3 . MET A 1 4 ? 12.799 12.148 -5.422 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 12 -ATOM 17604 H HE1 . MET A 1 4 ? 15.399 12.163 -3.525 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 12 -ATOM 17605 H HE2 . MET A 1 4 ? 15.428 11.773 -5.243 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 12 -ATOM 17606 H HE3 . MET A 1 4 ? 16.189 10.688 -4.082 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 12 -ATOM 17607 N N . ALA A 1 5 ? 9.621 13.100 -4.641 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 12 -ATOM 17608 C CA . ALA A 1 5 ? 8.338 12.457 -4.697 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 12 -ATOM 17609 C C . ALA A 1 5 ? 8.529 11.120 -5.361 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 12 -ATOM 17610 O O . ALA A 1 5 ? 9.226 11.025 -6.376 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 12 -ATOM 17611 C CB . ALA A 1 5 ? 7.339 13.307 -5.472 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 12 -ATOM 17612 H H . ALA A 1 5 ? 10.077 13.312 -5.485 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 12 -ATOM 17613 H HA . ALA A 1 5 ? 7.982 12.310 -3.688 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 12 -ATOM 17614 H HB1 . ALA A 1 5 ? 6.389 12.796 -5.506 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 12 -ATOM 17615 H HB2 . ALA A 1 5 ? 7.702 13.459 -6.478 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 12 -ATOM 17616 H HB3 . ALA A 1 5 ? 7.218 14.260 -4.977 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 12 -ATOM 17617 N N . TYR A 1 6 ? 7.967 10.104 -4.793 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 12 -ATOM 17618 C CA . TYR A 1 6 ? 8.132 8.763 -5.317 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 12 -ATOM 17619 C C . TYR A 1 6 ? 7.038 8.441 -6.300 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 12 -ATOM 17620 O O . TYR A 1 6 ? 6.016 9.129 -6.353 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 12 -ATOM 17621 C CB . TYR A 1 6 ? 8.124 7.721 -4.190 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 12 -ATOM 17622 C CG . TYR A 1 6 ? 9.329 7.734 -3.266 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 12 -ATOM 17623 C CD1 . TYR A 1 6 ? 9.758 8.900 -2.650 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 12 -ATOM 17624 C CD2 . TYR A 1 6 ? 10.030 6.560 -3.004 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 12 -ATOM 17625 C CE1 . TYR A 1 6 ? 10.840 8.901 -1.807 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 12 -ATOM 17626 C CE2 . TYR A 1 6 ? 11.112 6.555 -2.152 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 12 -ATOM 17627 C CZ . TYR A 1 6 ? 11.510 7.732 -1.557 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 12 -ATOM 17628 O OH . TYR A 1 6 ? 12.572 7.739 -0.698 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 12 -ATOM 17629 H H . TYR A 1 6 ? 7.399 10.243 -4.006 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 12 -ATOM 17630 H HA . TYR A 1 6 ? 9.084 8.716 -5.823 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 12 -ATOM 17631 H HB2 . TYR A 1 6 ? 7.245 7.867 -3.580 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 12 -ATOM 17632 H HB3 . TYR A 1 6 ? 8.068 6.743 -4.647 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 12 -ATOM 17633 H HD1 . TYR A 1 6 ? 9.230 9.822 -2.847 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 12 -ATOM 17634 H HD2 . TYR A 1 6 ? 9.713 5.641 -3.474 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 12 -ATOM 17635 H HE1 . TYR A 1 6 ? 11.156 9.822 -1.339 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 12 -ATOM 17636 H HE2 . TYR A 1 6 ? 11.645 5.636 -1.959 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 12 -ATOM 17637 H HH . TYR A 1 6 ? 13.260 7.131 -1.026 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 12 -ATOM 17638 N N . PHE A 1 7 ? 7.265 7.427 -7.083 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 12 -ATOM 17639 C CA . PHE A 1 7 ? 6.280 6.931 -8.009 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 12 -ATOM 17640 C C . PHE A 1 7 ? 5.360 5.988 -7.261 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 12 -ATOM 17641 O O . PHE A 1 7 ? 5.753 5.435 -6.248 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 12 -ATOM 17642 C CB . PHE A 1 7 ? 6.964 6.188 -9.167 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 12 -ATOM 17643 C CG . PHE A 1 7 ? 7.820 7.056 -10.047 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 12 -ATOM 17644 C CD1 . PHE A 1 7 ? 9.162 7.257 -9.762 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 12 -ATOM 17645 C CD2 . PHE A 1 7 ? 7.280 7.667 -11.161 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 12 -ATOM 17646 C CE1 . PHE A 1 7 ? 9.946 8.050 -10.575 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 12 -ATOM 17647 C CE2 . PHE A 1 7 ? 8.057 8.460 -11.977 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 12 -ATOM 17648 C CZ . PHE A 1 7 ? 9.392 8.654 -11.685 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 12 -ATOM 17649 H H . PHE A 1 7 ? 8.139 6.978 -7.028 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 12 -ATOM 17650 H HA . PHE A 1 7 ? 5.712 7.762 -8.397 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 12 -ATOM 17651 H HB2 . PHE A 1 7 ? 7.612 5.434 -8.745 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 12 -ATOM 17652 H HB3 . PHE A 1 7 ? 6.221 5.701 -9.780 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 12 -ATOM 17653 H HD1 . PHE A 1 7 ? 9.593 6.784 -8.893 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 12 -ATOM 17654 H HD2 . PHE A 1 7 ? 6.236 7.518 -11.393 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 12 -ATOM 17655 H HE1 . PHE A 1 7 ? 10.991 8.200 -10.342 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 12 -ATOM 17656 H HE2 . PHE A 1 7 ? 7.614 8.930 -12.842 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 12 -ATOM 17657 H HZ . PHE A 1 7 ? 10.001 9.276 -12.324 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 12 -ATOM 17658 N N . LEU A 1 8 ? 4.163 5.819 -7.724 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 12 -ATOM 17659 C CA . LEU A 1 8 ? 3.239 4.908 -7.075 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 12 -ATOM 17660 C C . LEU A 1 8 ? 2.888 3.810 -8.075 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 12 -ATOM 17661 O O . LEU A 1 8 ? 2.440 4.104 -9.187 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 12 -ATOM 17662 C CB . LEU A 1 8 ? 1.968 5.679 -6.613 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 12 -ATOM 17663 C CG . LEU A 1 8 ? 1.061 5.035 -5.514 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 12 -ATOM 17664 C CD1 . LEU A 1 8 ? 0.475 3.701 -5.923 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 12 -ATOM 17665 C CD2 . LEU A 1 8 ? 1.804 4.899 -4.199 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 12 -ATOM 17666 H H . LEU A 1 8 ? 3.876 6.306 -8.525 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 12 -ATOM 17667 H HA . LEU A 1 8 ? 3.735 4.474 -6.221 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 12 -ATOM 17668 H HB2 . LEU A 1 8 ? 2.286 6.645 -6.249 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 12 -ATOM 17669 H HB3 . LEU A 1 8 ? 1.357 5.848 -7.488 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 12 -ATOM 17670 H HG . LEU A 1 8 ? 0.227 5.700 -5.345 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 12 -ATOM 17671 H HD11 . LEU A 1 8 ? 1.277 3.028 -6.190 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 12 -ATOM 17672 H HD12 . LEU A 1 8 ? -0.192 3.827 -6.763 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 12 -ATOM 17673 H HD13 . LEU A 1 8 ? -0.065 3.283 -5.085 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 12 -ATOM 17674 H HD21 . LEU A 1 8 ? 2.685 4.292 -4.345 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 12 -ATOM 17675 H HD22 . LEU A 1 8 ? 1.161 4.416 -3.478 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 12 -ATOM 17676 H HD23 . LEU A 1 8 ? 2.087 5.872 -3.829 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 12 -ATOM 17677 N N . ASP A 1 9 ? 3.109 2.576 -7.694 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 12 -ATOM 17678 C CA . ASP A 1 9 ? 2.820 1.435 -8.547 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 12 -ATOM 17679 C C . ASP A 1 9 ? 2.016 0.412 -7.755 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 12 -ATOM 17680 O O . ASP A 1 9 ? 2.003 0.449 -6.522 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 12 -ATOM 17681 C CB . ASP A 1 9 ? 4.130 0.821 -9.073 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 12 -ATOM 17682 C CG . ASP A 1 9 ? 3.931 -0.298 -10.075 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 12 -ATOM 17683 O OD1 . ASP A 1 9 ? 3.011 -0.209 -10.921 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 12 -ATOM 17684 O OD2 . ASP A 1 9 ? 4.707 -1.274 -10.058 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 12 -ATOM 17685 H H . ASP A 1 9 ? 3.471 2.398 -6.794 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 12 -ATOM 17686 H HA . ASP A 1 9 ? 2.225 1.782 -9.379 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 12 -ATOM 17687 H HB2 . ASP A 1 9 ? 4.727 1.588 -9.543 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 12 -ATOM 17688 H HB3 . ASP A 1 9 ? 4.667 0.420 -8.228 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 12 -ATOM 17689 N N . PHE A 1 10 ? 1.349 -0.475 -8.441 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 12 -ATOM 17690 C CA . PHE A 1 10 ? 0.508 -1.479 -7.812 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 12 -ATOM 17691 C C . PHE A 1 10 ? 0.814 -2.827 -8.401 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 12 -ATOM 17692 O O . PHE A 1 10 ? 1.108 -2.931 -9.600 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 12 -ATOM 17693 C CB . PHE A 1 10 ? -0.988 -1.229 -8.093 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 12 -ATOM 17694 C CG . PHE A 1 10 ? -1.597 0.047 -7.592 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 12 -ATOM 17695 C CD1 . PHE A 1 10 ? -2.180 0.103 -6.338 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 12 -ATOM 17696 C CD2 . PHE A 1 10 ? -1.638 1.173 -8.396 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 12 -ATOM 17697 C CE1 . PHE A 1 10 ? -2.782 1.262 -5.888 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 12 -ATOM 17698 C CE2 . PHE A 1 10 ? -2.244 2.329 -7.956 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 12 -ATOM 17699 C CZ . PHE A 1 10 ? -2.815 2.377 -6.699 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 12 -ATOM 17700 H H . PHE A 1 10 ? 1.469 -0.500 -9.416 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 12 -ATOM 17701 H HA . PHE A 1 10 ? 0.668 -1.480 -6.745 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 12 -ATOM 17702 H HB2 . PHE A 1 10 ? -1.135 -1.239 -9.162 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 12 -ATOM 17703 H HB3 . PHE A 1 10 ? -1.547 -2.053 -7.671 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 12 -ATOM 17704 H HD1 . PHE A 1 10 ? -2.155 -0.769 -5.702 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 12 -ATOM 17705 H HD2 . PHE A 1 10 ? -1.185 1.140 -9.376 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 12 -ATOM 17706 H HE1 . PHE A 1 10 ? -3.227 1.296 -4.904 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 12 -ATOM 17707 H HE2 . PHE A 1 10 ? -2.268 3.199 -8.596 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 12 -ATOM 17708 H HZ . PHE A 1 10 ? -3.290 3.284 -6.354 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 12 -ATOM 17709 N N . ASP A 1 11 ? 0.752 -3.851 -7.592 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 12 -ATOM 17710 C CA . ASP A 1 11 ? 0.804 -5.205 -8.111 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 12 -ATOM 17711 C C . ASP A 1 11 ? -0.588 -5.516 -8.633 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 12 -ATOM 17712 O O . ASP A 1 11 ? -1.568 -4.904 -8.173 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 12 -ATOM 17713 C CB . ASP A 1 11 ? 1.176 -6.227 -7.015 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 12 -ATOM 17714 C CG . ASP A 1 11 ? 1.335 -7.645 -7.565 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 12 -ATOM 17715 O OD1 . ASP A 1 11 ? 0.335 -8.331 -7.760 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 12 -ATOM 17716 O OD2 . ASP A 1 11 ? 2.474 -8.088 -7.826 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 12 -ATOM 17717 H H . ASP A 1 11 ? 0.682 -3.703 -6.623 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 12 -ATOM 17718 H HA . ASP A 1 11 ? 1.516 -5.241 -8.921 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 12 -ATOM 17719 H HB2 . ASP A 1 11 ? 2.104 -5.930 -6.551 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 12 -ATOM 17720 H HB3 . ASP A 1 11 ? 0.395 -6.237 -6.269 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 12 -ATOM 17721 N N . GLU A 1 12 ? -0.697 -6.419 -9.579 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 12 -ATOM 17722 C CA . GLU A 1 12 ? -1.983 -6.802 -10.122 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 12 -ATOM 17723 C C . GLU A 1 12 ? -2.925 -7.346 -9.028 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 12 -ATOM 17724 O O . GLU A 1 12 ? -4.142 -7.154 -9.105 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 12 -ATOM 17725 C CB . GLU A 1 12 ? -1.809 -7.763 -11.311 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 12 -ATOM 17726 C CG . GLU A 1 12 ? -1.055 -9.054 -11.014 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 12 -ATOM 17727 C CD . GLU A 1 12 ? -1.957 -10.252 -10.893 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 12 -ATOM 17728 O OE1 . GLU A 1 12 ? -2.454 -10.549 -9.803 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 12 -ATOM 17729 O OE2 . GLU A 1 12 ? -2.200 -10.925 -11.910 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 12 -ATOM 17730 H H . GLU A 1 12 ? 0.115 -6.850 -9.921 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 12 -ATOM 17731 H HA . GLU A 1 12 ? -2.430 -5.886 -10.482 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 12 -ATOM 17732 H HB2 . GLU A 1 12 ? -2.789 -8.034 -11.675 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 12 -ATOM 17733 H HB3 . GLU A 1 12 ? -1.285 -7.237 -12.096 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 12 -ATOM 17734 H HG2 . GLU A 1 12 ? -0.349 -9.240 -11.809 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 12 -ATOM 17735 H HG3 . GLU A 1 12 ? -0.521 -8.929 -10.084 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 12 -ATOM 17736 N N . ARG A 1 13 ? -2.349 -7.955 -7.980 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 12 -ATOM 17737 C CA . ARG A 1 13 ? -3.122 -8.434 -6.835 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 12 -ATOM 17738 C C . ARG A 1 13 ? -3.764 -7.269 -6.137 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 12 -ATOM 17739 O O . ARG A 1 13 ? -4.959 -7.299 -5.832 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 12 -ATOM 17740 C CB . ARG A 1 13 ? -2.244 -9.209 -5.843 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 12 -ATOM 17741 C CG . ARG A 1 13 ? -1.641 -10.448 -6.434 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 12 -ATOM 17742 C CD . ARG A 1 13 ? -2.689 -11.493 -6.745 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 12 -ATOM 17743 N NE . ARG A 1 13 ? -2.261 -12.333 -7.853 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 12 -ATOM 17744 C CZ . ARG A 1 13 ? -2.069 -13.647 -7.815 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 12 -ATOM 17745 N NH1 . ARG A 1 13 ? -2.266 -14.333 -6.700 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 12 -ATOM 17746 N NH2 . ARG A 1 13 ? -1.685 -14.276 -8.905 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 12 -ATOM 17747 H H . ARG A 1 13 ? -1.368 -8.090 -7.987 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 12 -ATOM 17748 H HA . ARG A 1 13 ? -3.898 -9.083 -7.208 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 12 -ATOM 17749 H HB2 . ARG A 1 13 ? -1.443 -8.564 -5.512 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 12 -ATOM 17750 H HB3 . ARG A 1 13 ? -2.844 -9.492 -4.991 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 12 -ATOM 17751 H HG2 . ARG A 1 13 ? -1.135 -10.185 -7.351 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 12 -ATOM 17752 H HG3 . ARG A 1 13 ? -0.925 -10.859 -5.737 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 12 -ATOM 17753 H HD2 . ARG A 1 13 ? -2.827 -12.107 -5.869 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 12 -ATOM 17754 H HD3 . ARG A 1 13 ? -3.625 -11.023 -7.001 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 12 -ATOM 17755 H HE . ARG A 1 13 ? -2.123 -11.795 -8.676 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 12 -ATOM 17756 H HH11 . ARG A 1 13 ? -2.571 -13.923 -5.835 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 12 -ATOM 17757 H HH12 . ARG A 1 13 ? -2.085 -15.320 -6.683 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 12 -ATOM 17758 H HH21 . ARG A 1 13 ? -1.522 -13.813 -9.783 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 12 -ATOM 17759 H HH22 . ARG A 1 13 ? -1.532 -15.270 -8.903 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 12 -ATOM 17760 N N . ALA A 1 14 ? -2.985 -6.227 -5.943 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 12 -ATOM 17761 C CA . ALA A 1 14 ? -3.444 -5.027 -5.298 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 12 -ATOM 17762 C C . ALA A 1 14 ? -4.520 -4.359 -6.130 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 12 -ATOM 17763 O O . ALA A 1 14 ? -5.497 -3.897 -5.592 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 12 -ATOM 17764 C CB . ALA A 1 14 ? -2.291 -4.073 -5.048 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 12 -ATOM 17765 H H . ALA A 1 14 ? -2.060 -6.267 -6.265 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 12 -ATOM 17766 H HA . ALA A 1 14 ? -3.867 -5.310 -4.345 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 12 -ATOM 17767 H HB1 . ALA A 1 14 ? -2.654 -3.197 -4.531 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 12 -ATOM 17768 H HB2 . ALA A 1 14 ? -1.856 -3.780 -5.992 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 12 -ATOM 17769 H HB3 . ALA A 1 14 ? -1.542 -4.562 -4.443 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 12 -ATOM 17770 N N . LEU A 1 15 ? -4.351 -4.370 -7.454 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 12 -ATOM 17771 C CA . LEU A 1 15 ? -5.317 -3.768 -8.366 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 12 -ATOM 17772 C C . LEU A 1 15 ? -6.664 -4.454 -8.289 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 12 -ATOM 17773 O O . LEU A 1 15 ? -7.701 -3.799 -8.297 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 12 -ATOM 17774 C CB . LEU A 1 15 ? -4.801 -3.789 -9.797 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 12 -ATOM 17775 C CG . LEU A 1 15 ? -3.683 -2.808 -10.131 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 12 -ATOM 17776 C CD1 . LEU A 1 15 ? -3.199 -3.036 -11.547 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 12 -ATOM 17777 C CD2 . LEU A 1 15 ? -4.177 -1.372 -9.972 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 12 -ATOM 17778 H H . LEU A 1 15 ? -3.552 -4.795 -7.836 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 12 -ATOM 17779 H HA . LEU A 1 15 ? -5.447 -2.741 -8.064 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 12 -ATOM 17780 H HB2 . LEU A 1 15 ? -4.443 -4.787 -10.001 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 12 -ATOM 17781 H HB3 . LEU A 1 15 ? -5.638 -3.592 -10.448 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 12 -ATOM 17782 H HG . LEU A 1 15 ? -2.853 -2.959 -9.456 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 12 -ATOM 17783 H HD11 . LEU A 1 15 ? -4.023 -2.892 -12.230 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 12 -ATOM 17784 H HD12 . LEU A 1 15 ? -2.819 -4.043 -11.641 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 12 -ATOM 17785 H HD13 . LEU A 1 15 ? -2.415 -2.331 -11.776 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 12 -ATOM 17786 H HD21 . LEU A 1 15 ? -5.035 -1.220 -10.609 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 12 -ATOM 17787 H HD22 . LEU A 1 15 ? -3.392 -0.689 -10.260 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 12 -ATOM 17788 H HD23 . LEU A 1 15 ? -4.453 -1.184 -8.945 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 12 -ATOM 17789 N N . LYS A 1 16 ? -6.640 -5.764 -8.199 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 12 -ATOM 17790 C CA . LYS A 1 16 ? -7.853 -6.551 -8.091 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 12 -ATOM 17791 C C . LYS A 1 16 ? -8.596 -6.201 -6.811 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 12 -ATOM 17792 O O . LYS A 1 16 ? -9.805 -6.003 -6.824 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 12 -ATOM 17793 C CB . LYS A 1 16 ? -7.503 -8.025 -8.109 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 12 -ATOM 17794 C CG . LYS A 1 16 ? -6.929 -8.494 -9.425 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 12 -ATOM 17795 C CD . LYS A 1 16 ? -6.200 -9.802 -9.259 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 12 -ATOM 17796 C CE . LYS A 1 16 ? -5.698 -10.325 -10.591 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 12 -ATOM 17797 N NZ . LYS A 1 16 ? -4.865 -11.534 -10.436 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 12 -ATOM 17798 H H . LYS A 1 16 ? -5.767 -6.215 -8.216 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 12 -ATOM 17799 H HA . LYS A 1 16 ? -8.469 -6.325 -8.948 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 12 -ATOM 17800 H HB2 . LYS A 1 16 ? -6.772 -8.206 -7.336 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 12 -ATOM 17801 H HB3 . LYS A 1 16 ? -8.393 -8.598 -7.897 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 12 -ATOM 17802 H HG2 . LYS A 1 16 ? -7.730 -8.623 -10.137 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 12 -ATOM 17803 H HG3 . LYS A 1 16 ? -6.239 -7.748 -9.789 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 12 -ATOM 17804 H HD2 . LYS A 1 16 ? -5.358 -9.622 -8.605 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 12 -ATOM 17805 H HD3 . LYS A 1 16 ? -6.865 -10.521 -8.805 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 12 -ATOM 17806 H HE2 . LYS A 1 16 ? -6.547 -10.567 -11.213 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 12 -ATOM 17807 H HE3 . LYS A 1 16 ? -5.113 -9.551 -11.067 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 12 -ATOM 17808 H HZ1 . LYS A 1 16 ? -4.650 -11.939 -11.371 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 12 -ATOM 17809 H HZ2 . LYS A 1 16 ? -5.325 -12.269 -9.866 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 12 -ATOM 17810 H HZ3 . LYS A 1 16 ? -3.945 -11.267 -10.015 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 12 -ATOM 17811 N N . GLU A 1 17 ? -7.857 -6.083 -5.718 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 12 -ATOM 17812 C CA . GLU A 1 17 ? -8.438 -5.731 -4.439 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 12 -ATOM 17813 C C . GLU A 1 17 ? -8.923 -4.276 -4.458 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 12 -ATOM 17814 O O . GLU A 1 17 ? -9.977 -3.962 -3.943 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 12 -ATOM 17815 C CB . GLU A 1 17 ? -7.409 -5.925 -3.336 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 12 -ATOM 17816 C CG . GLU A 1 17 ? -6.800 -7.317 -3.289 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 12 -ATOM 17817 C CD . GLU A 1 17 ? -7.817 -8.409 -3.101 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 12 -ATOM 17818 O OE1 . GLU A 1 17 ? -8.576 -8.383 -2.121 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 12 -ATOM 17819 O OE2 . GLU A 1 17 ? -7.896 -9.308 -3.943 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 12 -ATOM 17820 H H . GLU A 1 17 ? -6.889 -6.245 -5.763 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 12 -ATOM 17821 H HA . GLU A 1 17 ? -9.277 -6.386 -4.259 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 12 -ATOM 17822 H HB2 . GLU A 1 17 ? -6.610 -5.214 -3.484 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 12 -ATOM 17823 H HB3 . GLU A 1 17 ? -7.883 -5.729 -2.385 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 12 -ATOM 17824 H HG2 . GLU A 1 17 ? -6.309 -7.485 -4.237 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 12 -ATOM 17825 H HG3 . GLU A 1 17 ? -6.061 -7.370 -2.506 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 12 -ATOM 17826 N N . TRP A 1 18 ? -8.142 -3.428 -5.086 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 12 -ATOM 17827 C CA . TRP A 1 18 ? -8.410 -2.000 -5.222 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 12 -ATOM 17828 C C . TRP A 1 18 ? -9.712 -1.755 -5.984 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 12 -ATOM 17829 O O . TRP A 1 18 ? -10.541 -0.956 -5.570 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 12 -ATOM 17830 C CB . TRP A 1 18 ? -7.222 -1.361 -5.957 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 12 -ATOM 17831 C CG . TRP A 1 18 ? -7.301 0.111 -6.171 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 12 -ATOM 17832 C CD1 . TRP A 1 18 ? -7.721 0.751 -7.297 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 12 -ATOM 17833 C CD2 . TRP A 1 18 ? -6.924 1.127 -5.247 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 12 -ATOM 17834 N NE1 . TRP A 1 18 ? -7.633 2.102 -7.123 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 12 -ATOM 17835 C CE2 . TRP A 1 18 ? -7.146 2.361 -5.876 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 12 -ATOM 17836 C CE3 . TRP A 1 18 ? -6.421 1.111 -3.945 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 12 -ATOM 17837 C CZ2 . TRP A 1 18 ? -6.883 3.568 -5.251 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 12 -ATOM 17838 C CZ3 . TRP A 1 18 ? -6.161 2.312 -3.326 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 12 -ATOM 17839 C CH2 . TRP A 1 18 ? -6.389 3.522 -3.977 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 12 -ATOM 17840 H H . TRP A 1 18 ? -7.305 -3.767 -5.475 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 12 -ATOM 17841 H HA . TRP A 1 18 ? -8.483 -1.563 -4.237 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 12 -ATOM 17842 H HB2 . TRP A 1 18 ? -6.321 -1.552 -5.394 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 12 -ATOM 17843 H HB3 . TRP A 1 18 ? -7.127 -1.836 -6.921 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 12 -ATOM 17844 H HD1 . TRP A 1 18 ? -8.069 0.251 -8.188 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 12 -ATOM 17845 H HE1 . TRP A 1 18 ? -7.876 2.776 -7.795 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 12 -ATOM 17846 H HE3 . TRP A 1 18 ? -6.237 0.182 -3.427 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 12 -ATOM 17847 H HZ2 . TRP A 1 18 ? -7.056 4.512 -5.746 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 12 -ATOM 17848 H HZ3 . TRP A 1 18 ? -5.770 2.325 -2.320 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 12 -ATOM 17849 H HH2 . TRP A 1 18 ? -6.169 4.438 -3.447 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 12 -ATOM 17850 N N . ARG A 1 19 ? -9.883 -2.450 -7.090 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 12 -ATOM 17851 C CA . ARG A 1 19 ? -11.086 -2.310 -7.900 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 12 -ATOM 17852 C C . ARG A 1 19 ? -12.276 -2.972 -7.210 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 12 -ATOM 17853 O O . ARG A 1 19 ? -13.426 -2.574 -7.404 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 12 -ATOM 17854 C CB . ARG A 1 19 ? -10.875 -2.890 -9.295 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 12 -ATOM 17855 C CG . ARG A 1 19 ? -9.824 -2.169 -10.122 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 12 -ATOM 17856 C CD . ARG A 1 19 ? -9.643 -2.830 -11.479 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 12 -ATOM 17857 N NE . ARG A 1 19 ? -10.895 -2.839 -12.252 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 12 -ATOM 17858 C CZ . ARG A 1 19 ? -11.089 -3.456 -13.426 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 12 -ATOM 17859 N NH1 . ARG A 1 19 ? -10.095 -4.117 -14.012 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 12 -ATOM 17860 N NH2 . ARG A 1 19 ? -12.287 -3.405 -14.004 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 12 -ATOM 17861 H H . ARG A 1 19 ? -9.168 -3.065 -7.373 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 12 -ATOM 17862 H HA . ARG A 1 19 ? -11.290 -1.252 -7.985 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 12 -ATOM 17863 H HB2 . ARG A 1 19 ? -10.564 -3.919 -9.192 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 12 -ATOM 17864 H HB3 . ARG A 1 19 ? -11.812 -2.857 -9.833 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 12 -ATOM 17865 H HG2 . ARG A 1 19 ? -10.133 -1.145 -10.268 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 12 -ATOM 17866 H HG3 . ARG A 1 19 ? -8.885 -2.191 -9.589 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 12 -ATOM 17867 H HD2 . ARG A 1 19 ? -8.887 -2.295 -12.034 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 12 -ATOM 17868 H HD3 . ARG A 1 19 ? -9.322 -3.848 -11.321 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 12 -ATOM 17869 H HE . ARG A 1 19 ? -11.641 -2.342 -11.844 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 12 -ATOM 17870 H HH11 . ARG A 1 19 ? -9.178 -4.185 -13.607 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 12 -ATOM 17871 H HH12 . ARG A 1 19 ? -10.219 -4.583 -14.890 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 12 -ATOM 17872 H HH21 . ARG A 1 19 ? -13.044 -2.911 -13.565 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 12 -ATOM 17873 H HH22 . ARG A 1 19 ? -12.507 -3.848 -14.878 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 12 -ATOM 17874 N N . LYS A 1 20 ? -11.979 -3.990 -6.416 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 12 -ATOM 17875 C CA . LYS A 1 20 ? -12.973 -4.691 -5.604 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 12 -ATOM 17876 C C . LYS A 1 20 ? -13.510 -3.744 -4.530 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 12 -ATOM 17877 O O . LYS A 1 20 ? -14.707 -3.762 -4.194 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 12 -ATOM 17878 C CB . LYS A 1 20 ? -12.307 -5.884 -4.925 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 12 -ATOM 17879 C CG . LYS A 1 20 ? -13.214 -6.724 -4.047 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 12 -ATOM 17880 C CD . LYS A 1 20 ? -12.407 -7.693 -3.188 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 12 -ATOM 17881 C CE . LYS A 1 20 ? -11.553 -8.626 -4.023 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 12 -ATOM 17882 N NZ . LYS A 1 20 ? -10.779 -9.561 -3.184 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 12 -ATOM 17883 H H . LYS A 1 20 ? -11.045 -4.294 -6.387 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 12 -ATOM 17884 H HA . LYS A 1 20 ? -13.775 -5.038 -6.236 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 12 -ATOM 17885 H HB2 . LYS A 1 20 ? -11.902 -6.524 -5.694 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 12 -ATOM 17886 H HB3 . LYS A 1 20 ? -11.490 -5.516 -4.320 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 12 -ATOM 17887 H HG2 . LYS A 1 20 ? -13.779 -6.067 -3.402 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 12 -ATOM 17888 H HG3 . LYS A 1 20 ? -13.892 -7.285 -4.672 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 12 -ATOM 17889 H HD2 . LYS A 1 20 ? -11.761 -7.128 -2.534 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 12 -ATOM 17890 H HD3 . LYS A 1 20 ? -13.091 -8.282 -2.594 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 12 -ATOM 17891 H HE2 . LYS A 1 20 ? -12.189 -9.180 -4.698 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 12 -ATOM 17892 H HE3 . LYS A 1 20 ? -10.870 -8.011 -4.590 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 12 -ATOM 17893 H HZ1 . LYS A 1 20 ? -10.310 -10.276 -3.775 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 12 -ATOM 17894 H HZ2 . LYS A 1 20 ? -11.375 -10.043 -2.481 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 12 -ATOM 17895 H HZ3 . LYS A 1 20 ? -10.024 -9.051 -2.670 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 12 -ATOM 17896 N N . LEU A 1 21 ? -12.607 -2.945 -3.990 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 12 -ATOM 17897 C CA . LEU A 1 21 ? -12.911 -1.956 -2.975 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 12 -ATOM 17898 C C . LEU A 1 21 ? -13.963 -0.972 -3.450 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 12 -ATOM 17899 O O . LEU A 1 21 ? -14.120 -0.726 -4.657 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 12 -ATOM 17900 C CB . LEU A 1 21 ? -11.646 -1.188 -2.570 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 12 -ATOM 17901 C CG . LEU A 1 21 ? -11.045 -1.483 -1.191 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 12 -ATOM 17902 C CD1 . LEU A 1 21 ? -10.744 -2.961 -1.004 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 12 -ATOM 17903 C CD2 . LEU A 1 21 ? -9.789 -0.664 -1.003 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 12 -ATOM 17904 H H . LEU A 1 21 ? -11.674 -3.031 -4.287 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 12 -ATOM 17905 H HA . LEU A 1 21 ? -13.267 -2.501 -2.115 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 12 -ATOM 17906 H HB2 . LEU A 1 21 ? -10.887 -1.393 -3.310 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 12 -ATOM 17907 H HB3 . LEU A 1 21 ? -11.878 -0.134 -2.615 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 12 -ATOM 17908 H HG . LEU A 1 21 ? -11.745 -1.176 -0.431 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 12 -ATOM 17909 H HD11 . LEU A 1 21 ? -11.658 -3.527 -1.099 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 12 -ATOM 17910 H HD12 . LEU A 1 21 ? -10.324 -3.119 -0.021 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 12 -ATOM 17911 H HD13 . LEU A 1 21 ? -10.039 -3.283 -1.756 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 12 -ATOM 17912 H HD21 . LEU A 1 21 ? -9.069 -0.913 -1.769 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 12 -ATOM 17913 H HD22 . LEU A 1 21 ? -9.370 -0.863 -0.027 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 12 -ATOM 17914 H HD23 . LEU A 1 21 ? -10.042 0.384 -1.078 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 12 -ATOM 17915 N N . GLY A 1 22 ? -14.671 -0.412 -2.509 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 12 -ATOM 17916 C CA . GLY A 1 22 ? -15.691 0.543 -2.815 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 12 -ATOM 17917 C C . GLY A 1 22 ? -15.063 1.838 -3.206 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 12 -ATOM 17918 O O . GLY A 1 22 ? -13.985 2.173 -2.688 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 12 -ATOM 17919 H H . GLY A 1 22 ? -14.461 -0.629 -1.576 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 12 -ATOM 17920 H HA2 . GLY A 1 22 ? -16.294 0.172 -3.629 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 12 -ATOM 17921 H HA3 . GLY A 1 22 ? -16.310 0.702 -1.945 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 12 -ATOM 17922 N N . SER A 1 23 ? -15.707 2.564 -4.099 1.00 0.00 ? ? ? ? ? ? 20 SER A N 12 -ATOM 17923 C CA . SER A 1 23 ? -15.191 3.809 -4.629 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 12 -ATOM 17924 C C . SER A 1 23 ? -14.735 4.774 -3.534 1.00 0.00 ? ? ? ? ? ? 20 SER A C 12 -ATOM 17925 O O . SER A 1 23 ? -13.611 5.227 -3.562 1.00 0.00 ? ? ? ? ? ? 20 SER A O 12 -ATOM 17926 C CB . SER A 1 23 ? -16.227 4.458 -5.544 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 12 -ATOM 17927 O OG . SER A 1 23 ? -16.542 3.597 -6.640 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 12 -ATOM 17928 H H . SER A 1 23 ? -16.583 2.255 -4.420 1.00 0.00 ? ? ? ? ? ? 20 SER A H 12 -ATOM 17929 H HA . SER A 1 23 ? -14.329 3.558 -5.228 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 12 -ATOM 17930 H HB2 . SER A 1 23 ? -17.128 4.650 -4.980 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 12 -ATOM 17931 H HB3 . SER A 1 23 ? -15.837 5.389 -5.928 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 12 -ATOM 17932 H HG . SER A 1 23 ? -16.094 3.981 -7.406 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 12 -ATOM 17933 N N . THR A 1 24 ? -15.561 4.976 -2.525 1.00 0.00 ? ? ? ? ? ? 21 THR A N 12 -ATOM 17934 C CA . THR A 1 24 ? -15.261 5.929 -1.476 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 12 -ATOM 17935 C C . THR A 1 24 ? -14.059 5.465 -0.639 1.00 0.00 ? ? ? ? ? ? 21 THR A C 12 -ATOM 17936 O O . THR A 1 24 ? -13.208 6.273 -0.257 1.00 0.00 ? ? ? ? ? ? 21 THR A O 12 -ATOM 17937 C CB . THR A 1 24 ? -16.489 6.128 -0.565 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 12 -ATOM 17938 O OG1 . THR A 1 24 ? -17.638 6.392 -1.390 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 12 -ATOM 17939 C CG2 . THR A 1 24 ? -16.287 7.304 0.387 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 12 -ATOM 17940 H H . THR A 1 24 ? -16.379 4.440 -2.459 1.00 0.00 ? ? ? ? ? ? 21 THR A H 12 -ATOM 17941 H HA . THR A 1 24 ? -15.022 6.874 -1.939 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 12 -ATOM 17942 H HB . THR A 1 24 ? -16.648 5.225 0.005 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 12 -ATOM 17943 H HG1 . THR A 1 24 ? -17.294 6.570 -2.276 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 12 -ATOM 17944 H HG21 . THR A 1 24 ? -16.132 8.207 -0.185 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 12 -ATOM 17945 H HG22 . THR A 1 24 ? -15.424 7.117 1.009 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 12 -ATOM 17946 H HG23 . THR A 1 24 ? -17.161 7.416 1.011 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 12 -ATOM 17947 N N . VAL A 1 25 ? -13.962 4.165 -0.415 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 12 -ATOM 17948 C CA . VAL A 1 25 ? -12.894 3.618 0.405 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 12 -ATOM 17949 C C . VAL A 1 25 ? -11.557 3.761 -0.315 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 12 -ATOM 17950 O O . VAL A 1 25 ? -10.589 4.295 0.244 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 12 -ATOM 17951 C CB . VAL A 1 25 ? -13.168 2.124 0.732 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 12 -ATOM 17952 C CG1 . VAL A 1 25 ? -12.027 1.512 1.525 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 12 -ATOM 17953 C CG2 . VAL A 1 25 ? -14.481 1.976 1.490 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 12 -ATOM 17954 H H . VAL A 1 25 ? -14.607 3.551 -0.825 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 12 -ATOM 17955 H HA . VAL A 1 25 ? -12.852 4.177 1.328 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 12 -ATOM 17956 H HB . VAL A 1 25 ? -13.256 1.586 -0.201 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 12 -ATOM 17957 H HG11 . VAL A 1 25 ? -11.113 1.585 0.954 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 12 -ATOM 17958 H HG12 . VAL A 1 25 ? -12.243 0.472 1.727 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 12 -ATOM 17959 H HG13 . VAL A 1 25 ? -11.914 2.045 2.458 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 12 -ATOM 17960 H HG21 . VAL A 1 25 ? -15.292 2.353 0.885 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 12 -ATOM 17961 H HG22 . VAL A 1 25 ? -14.430 2.538 2.411 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 12 -ATOM 17962 H HG23 . VAL A 1 25 ? -14.656 0.936 1.719 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 12 -ATOM 17963 N N . ARG A 1 26 ? -11.526 3.363 -1.566 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 12 -ATOM 17964 C CA . ARG A 1 26 ? -10.318 3.476 -2.350 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 12 -ATOM 17965 C C . ARG A 1 26 ? -9.957 4.920 -2.655 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 12 -ATOM 17966 O O . ARG A 1 26 ? -8.797 5.259 -2.708 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 12 -ATOM 17967 C CB . ARG A 1 26 ? -10.331 2.619 -3.600 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 12 -ATOM 17968 C CG . ARG A 1 26 ? -11.545 2.780 -4.460 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 12 -ATOM 17969 C CD . ARG A 1 26 ? -11.297 2.210 -5.814 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 12 -ATOM 17970 N NE . ARG A 1 26 ? -12.544 2.066 -6.577 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 12 -ATOM 17971 C CZ . ARG A 1 26 ? -12.633 1.973 -7.908 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 12 -ATOM 17972 N NH1 . ARG A 1 26 ? -11.559 2.171 -8.673 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 12 -ATOM 17973 N NH2 . ARG A 1 26 ? -13.803 1.706 -8.476 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 12 -ATOM 17974 H H . ARG A 1 26 ? -12.342 2.981 -1.962 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 12 -ATOM 17975 H HA . ARG A 1 26 ? -9.537 3.112 -1.697 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 12 -ATOM 17976 H HB2 . ARG A 1 26 ? -9.459 2.844 -4.198 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 12 -ATOM 17977 H HB3 . ARG A 1 26 ? -10.283 1.586 -3.287 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 12 -ATOM 17978 H HG2 . ARG A 1 26 ? -12.354 2.233 -3.997 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 12 -ATOM 17979 H HG3 . ARG A 1 26 ? -11.824 3.822 -4.535 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 12 -ATOM 17980 H HD2 . ARG A 1 26 ? -10.613 2.899 -6.291 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 12 -ATOM 17981 H HD3 . ARG A 1 26 ? -10.818 1.248 -5.705 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 12 -ATOM 17982 H HE . ARG A 1 26 ? -13.345 1.980 -6.015 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 12 -ATOM 17983 H HH11 . ARG A 1 26 ? -10.661 2.402 -8.293 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 12 -ATOM 17984 H HH12 . ARG A 1 26 ? -11.589 2.092 -9.673 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 12 -ATOM 17985 H HH21 . ARG A 1 26 ? -14.649 1.562 -7.958 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 12 -ATOM 17986 H HH22 . ARG A 1 26 ? -13.895 1.639 -9.475 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 12 -ATOM 17987 N N . GLU A 1 27 ? -10.957 5.758 -2.865 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 12 -ATOM 17988 C CA . GLU A 1 27 ? -10.738 7.181 -3.093 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 12 -ATOM 17989 C C . GLU A 1 27 ? -9.997 7.835 -1.948 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 12 -ATOM 17990 O O . GLU A 1 27 ? -9.082 8.609 -2.163 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 12 -ATOM 17991 C CB . GLU A 1 27 ? -12.044 7.895 -3.366 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 12 -ATOM 17992 C CG . GLU A 1 27 ? -12.482 7.813 -4.816 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 12 -ATOM 17993 C CD . GLU A 1 27 ? -13.861 8.357 -5.038 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 12 -ATOM 17994 O OE1 . GLU A 1 27 ? -14.069 9.574 -4.860 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 12 -ATOM 17995 O OE2 . GLU A 1 27 ? -14.773 7.573 -5.366 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 12 -ATOM 17996 H H . GLU A 1 27 ? -11.882 5.423 -2.889 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 12 -ATOM 17997 H HA . GLU A 1 27 ? -10.121 7.258 -3.976 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 12 -ATOM 17998 H HB2 . GLU A 1 27 ? -12.798 7.402 -2.766 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 12 -ATOM 17999 H HB3 . GLU A 1 27 ? -11.980 8.922 -3.049 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 12 -ATOM 18000 H HG2 . GLU A 1 27 ? -11.789 8.375 -5.423 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 12 -ATOM 18001 H HG3 . GLU A 1 27 ? -12.460 6.777 -5.118 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 12 -ATOM 18002 N N . GLN A 1 28 ? -10.357 7.500 -0.741 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 12 -ATOM 18003 C CA . GLN A 1 28 ? -9.688 8.052 0.405 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 12 -ATOM 18004 C C . GLN A 1 28 ? -8.268 7.477 0.518 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 12 -ATOM 18005 O O . GLN A 1 28 ? -7.317 8.182 0.903 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 12 -ATOM 18006 C CB . GLN A 1 28 ? -10.507 7.796 1.644 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 12 -ATOM 18007 C CG . GLN A 1 28 ? -11.833 8.519 1.657 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 12 -ATOM 18008 C CD . GLN A 1 28 ? -12.727 8.010 2.749 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 12 -ATOM 18009 O OE1 . GLN A 1 28 ? -12.719 8.506 3.878 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 12 -ATOM 18010 N NE2 . GLN A 1 28 ? -13.493 7.019 2.420 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 12 -ATOM 18011 H H . GLN A 1 28 ? -11.089 6.858 -0.605 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 12 -ATOM 18012 H HA . GLN A 1 28 ? -9.607 9.118 0.245 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 12 -ATOM 18013 H HB2 . GLN A 1 28 ? -10.713 6.739 1.702 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 12 -ATOM 18014 H HB3 . GLN A 1 28 ? -9.948 8.109 2.511 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 12 -ATOM 18015 H HG2 . GLN A 1 28 ? -11.657 9.573 1.813 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 12 -ATOM 18016 H HG3 . GLN A 1 28 ? -12.323 8.371 0.707 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 12 -ATOM 18017 H HE21 . GLN A 1 28 ? -13.403 6.719 1.483 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 12 -ATOM 18018 H HE22 . GLN A 1 28 ? -14.102 6.602 3.068 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 12 -ATOM 18019 N N . LEU A 1 29 ? -8.128 6.213 0.144 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 12 -ATOM 18020 C CA . LEU A 1 29 ? -6.835 5.540 0.141 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 12 -ATOM 18021 C C . LEU A 1 29 ? -5.890 6.124 -0.906 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 12 -ATOM 18022 O O . LEU A 1 29 ? -4.708 6.309 -0.628 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 12 -ATOM 18023 C CB . LEU A 1 29 ? -6.987 4.027 -0.062 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 12 -ATOM 18024 C CG . LEU A 1 29 ? -7.587 3.229 1.107 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 12 -ATOM 18025 C CD1 . LEU A 1 29 ? -7.787 1.788 0.699 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 12 -ATOM 18026 C CD2 . LEU A 1 29 ? -6.671 3.291 2.326 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 12 -ATOM 18027 H H . LEU A 1 29 ? -8.924 5.711 -0.131 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 12 -ATOM 18028 H HA . LEU A 1 29 ? -6.391 5.713 1.109 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 12 -ATOM 18029 H HB2 . LEU A 1 29 ? -7.613 3.875 -0.929 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 12 -ATOM 18030 H HB3 . LEU A 1 29 ? -6.008 3.630 -0.285 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 12 -ATOM 18031 H HG . LEU A 1 29 ? -8.554 3.622 1.379 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 12 -ATOM 18032 H HD11 . LEU A 1 29 ? -8.457 1.744 -0.146 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 12 -ATOM 18033 H HD12 . LEU A 1 29 ? -8.210 1.238 1.527 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 12 -ATOM 18034 H HD13 . LEU A 1 29 ? -6.836 1.353 0.428 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 12 -ATOM 18035 H HD21 . LEU A 1 29 ? -6.524 4.316 2.631 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 12 -ATOM 18036 H HD22 . LEU A 1 29 ? -5.714 2.857 2.078 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 12 -ATOM 18037 H HD23 . LEU A 1 29 ? -7.118 2.734 3.135 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 12 -ATOM 18038 N N . LYS A 1 30 ? -6.401 6.419 -2.107 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 12 -ATOM 18039 C CA . LYS A 1 30 ? -5.559 7.001 -3.151 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 12 -ATOM 18040 C C . LYS A 1 30 ? -5.040 8.362 -2.731 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 12 -ATOM 18041 O O . LYS A 1 30 ? -3.917 8.720 -3.040 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 12 -ATOM 18042 C CB . LYS A 1 30 ? -6.277 7.120 -4.487 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 12 -ATOM 18043 C CG . LYS A 1 30 ? -7.306 8.229 -4.571 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 12 -ATOM 18044 C CD . LYS A 1 30 ? -7.717 8.517 -5.993 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 12 -ATOM 18045 C CE . LYS A 1 30 ? -6.558 9.129 -6.773 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 12 -ATOM 18046 N NZ . LYS A 1 30 ? -6.917 9.381 -8.179 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 12 -ATOM 18047 H H . LYS A 1 30 ? -7.336 6.177 -2.309 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 12 -ATOM 18048 H HA . LYS A 1 30 ? -4.709 6.344 -3.267 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 12 -ATOM 18049 H HB2 . LYS A 1 30 ? -5.581 7.178 -5.306 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 12 -ATOM 18050 H HB3 . LYS A 1 30 ? -6.828 6.198 -4.544 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 12 -ATOM 18051 H HG2 . LYS A 1 30 ? -8.166 7.943 -3.986 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 12 -ATOM 18052 H HG3 . LYS A 1 30 ? -6.858 9.109 -4.135 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 12 -ATOM 18053 H HD2 . LYS A 1 30 ? -8.022 7.594 -6.464 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 12 -ATOM 18054 H HD3 . LYS A 1 30 ? -8.545 9.210 -5.991 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 12 -ATOM 18055 H HE2 . LYS A 1 30 ? -6.274 10.053 -6.291 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 12 -ATOM 18056 H HE3 . LYS A 1 30 ? -5.715 8.458 -6.733 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 12 -ATOM 18057 H HZ1 . LYS A 1 30 ? -6.126 9.819 -8.693 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 12 -ATOM 18058 H HZ2 . LYS A 1 30 ? -7.747 10.003 -8.249 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 12 -ATOM 18059 H HZ3 . LYS A 1 30 ? -7.158 8.493 -8.662 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 12 -ATOM 18060 N N . LYS A 1 31 ? -5.878 9.109 -2.031 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 12 -ATOM 18061 C CA . LYS A 1 31 ? -5.490 10.427 -1.502 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 12 -ATOM 18062 C C . LYS A 1 31 ? -4.306 10.260 -0.571 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 12 -ATOM 18063 O O . LYS A 1 31 ? -3.364 11.056 -0.584 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 12 -ATOM 18064 C CB . LYS A 1 31 ? -6.639 11.085 -0.745 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 12 -ATOM 18065 C CG . LYS A 1 31 ? -7.879 11.323 -1.562 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 12 -ATOM 18066 C CD . LYS A 1 31 ? -8.981 11.914 -0.706 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 12 -ATOM 18067 C CE . LYS A 1 31 ? -10.304 11.930 -1.443 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 12 -ATOM 18068 N NZ . LYS A 1 31 ? -10.263 12.762 -2.663 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 12 -ATOM 18069 H H . LYS A 1 31 ? -6.781 8.734 -1.929 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 12 -ATOM 18070 H HA . LYS A 1 31 ? -5.199 11.048 -2.337 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 12 -ATOM 18071 H HB2 . LYS A 1 31 ? -6.920 10.444 0.076 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 12 -ATOM 18072 H HB3 . LYS A 1 31 ? -6.304 12.035 -0.356 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 12 -ATOM 18073 H HG2 . LYS A 1 31 ? -7.646 12.011 -2.361 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 12 -ATOM 18074 H HG3 . LYS A 1 31 ? -8.219 10.385 -1.976 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 12 -ATOM 18075 H HD2 . LYS A 1 31 ? -9.084 11.323 0.191 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 12 -ATOM 18076 H HD3 . LYS A 1 31 ? -8.712 12.925 -0.441 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 12 -ATOM 18077 H HE2 . LYS A 1 31 ? -10.539 10.913 -1.720 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 12 -ATOM 18078 H HE3 . LYS A 1 31 ? -11.064 12.306 -0.775 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 12 -ATOM 18079 H HZ1 . LYS A 1 31 ? -10.079 13.759 -2.428 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 12 -ATOM 18080 H HZ2 . LYS A 1 31 ? -11.175 12.708 -3.159 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 12 -ATOM 18081 H HZ3 . LYS A 1 31 ? -9.526 12.434 -3.318 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 12 -ATOM 18082 N N . LYS A 1 32 ? -4.348 9.183 0.200 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 12 -ATOM 18083 C CA . LYS A 1 32 ? -3.274 8.840 1.103 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 12 -ATOM 18084 C C . LYS A 1 32 ? -2.003 8.508 0.358 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 12 -ATOM 18085 O O . LYS A 1 32 ? -0.916 8.852 0.805 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 12 -ATOM 18086 C CB . LYS A 1 32 ? -3.674 7.727 2.081 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 12 -ATOM 18087 C CG . LYS A 1 32 ? -4.713 8.149 3.108 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 12 -ATOM 18088 C CD . LYS A 1 32 ? -4.158 9.283 3.928 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 12 -ATOM 18089 C CE . LYS A 1 32 ? -5.114 9.810 4.955 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 12 -ATOM 18090 N NZ . LYS A 1 32 ? -4.548 11.011 5.600 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 12 -ATOM 18091 H H . LYS A 1 32 ? -5.144 8.611 0.151 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 12 -ATOM 18092 H HA . LYS A 1 32 ? -3.056 9.733 1.660 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 12 -ATOM 18093 H HB2 . LYS A 1 32 ? -4.063 6.887 1.524 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 12 -ATOM 18094 H HB3 . LYS A 1 32 ? -2.787 7.421 2.613 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 12 -ATOM 18095 H HG2 . LYS A 1 32 ? -5.606 8.477 2.597 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 12 -ATOM 18096 H HG3 . LYS A 1 32 ? -4.940 7.317 3.758 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 12 -ATOM 18097 H HD2 . LYS A 1 32 ? -3.264 8.955 4.434 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 12 -ATOM 18098 H HD3 . LYS A 1 32 ? -3.907 10.095 3.261 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 12 -ATOM 18099 H HE2 . LYS A 1 32 ? -6.051 10.056 4.479 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 12 -ATOM 18100 H HE3 . LYS A 1 32 ? -5.271 9.047 5.704 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 12 -ATOM 18101 H HZ1 . LYS A 1 32 ? -3.717 10.766 6.173 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 12 -ATOM 18102 H HZ2 . LYS A 1 32 ? -5.228 11.518 6.201 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 12 -ATOM 18103 H HZ3 . LYS A 1 32 ? -4.210 11.667 4.860 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 12 -ATOM 18104 N N . LEU A 1 33 ? -2.146 7.873 -0.779 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 12 -ATOM 18105 C CA . LEU A 1 33 ? -1.016 7.565 -1.628 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 12 -ATOM 18106 C C . LEU A 1 33 ? -0.382 8.858 -2.116 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 12 -ATOM 18107 O O . LEU A 1 33 ? 0.828 9.018 -2.075 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 12 -ATOM 18108 C CB . LEU A 1 33 ? -1.460 6.727 -2.829 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 12 -ATOM 18109 C CG . LEU A 1 33 ? -2.197 5.428 -2.510 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 12 -ATOM 18110 C CD1 . LEU A 1 33 ? -2.572 4.702 -3.790 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 12 -ATOM 18111 C CD2 . LEU A 1 33 ? -1.355 4.537 -1.608 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 12 -ATOM 18112 H H . LEU A 1 33 ? -3.046 7.584 -1.041 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 12 -ATOM 18113 H HA . LEU A 1 33 ? -0.298 7.002 -1.050 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 12 -ATOM 18114 H HB2 . LEU A 1 33 ? -2.106 7.342 -3.438 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 12 -ATOM 18115 H HB3 . LEU A 1 33 ? -0.582 6.482 -3.408 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 12 -ATOM 18116 H HG . LEU A 1 33 ? -3.115 5.675 -1.994 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 12 -ATOM 18117 H HD11 . LEU A 1 33 ? -1.678 4.462 -4.345 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 12 -ATOM 18118 H HD12 . LEU A 1 33 ? -3.204 5.335 -4.396 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 12 -ATOM 18119 H HD13 . LEU A 1 33 ? -3.102 3.792 -3.551 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 12 -ATOM 18120 H HD21 . LEU A 1 33 ? -0.406 4.334 -2.077 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 12 -ATOM 18121 H HD22 . LEU A 1 33 ? -1.872 3.604 -1.444 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 12 -ATOM 18122 H HD23 . LEU A 1 33 ? -1.195 5.031 -0.661 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 12 -ATOM 18123 N N . VAL A 1 34 ? -1.226 9.793 -2.517 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 12 -ATOM 18124 C CA . VAL A 1 34 ? -0.783 11.067 -3.053 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 12 -ATOM 18125 C C . VAL A 1 34 ? -0.015 11.889 -2.005 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 12 -ATOM 18126 O O . VAL A 1 34 ? 1.063 12.424 -2.299 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 12 -ATOM 18127 C CB . VAL A 1 34 ? -1.992 11.887 -3.599 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 12 -ATOM 18128 C CG1 . VAL A 1 34 ? -1.563 13.255 -4.091 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 12 -ATOM 18129 C CG2 . VAL A 1 34 ? -2.686 11.126 -4.715 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 12 -ATOM 18130 H H . VAL A 1 34 ? -2.190 9.609 -2.450 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 12 -ATOM 18131 H HA . VAL A 1 34 ? -0.115 10.861 -3.877 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 12 -ATOM 18132 H HB . VAL A 1 34 ? -2.705 12.021 -2.798 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 12 -ATOM 18133 H HG11 . VAL A 1 34 ? -1.104 13.796 -3.276 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 12 -ATOM 18134 H HG12 . VAL A 1 34 ? -2.436 13.793 -4.431 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 12 -ATOM 18135 H HG13 . VAL A 1 34 ? -0.857 13.146 -4.901 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 12 -ATOM 18136 H HG21 . VAL A 1 34 ? -3.048 10.190 -4.315 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 12 -ATOM 18137 H HG22 . VAL A 1 34 ? -1.985 10.935 -5.514 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 12 -ATOM 18138 H HG23 . VAL A 1 34 ? -3.518 11.705 -5.088 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 12 -ATOM 18139 N N . GLU A 1 35 ? -0.536 11.965 -0.789 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 12 -ATOM 18140 C CA . GLU A 1 35 ? 0.149 12.692 0.267 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 12 -ATOM 18141 C C . GLU A 1 35 ? 1.441 11.980 0.704 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 12 -ATOM 18142 O O . GLU A 1 35 ? 2.515 12.606 0.800 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 12 -ATOM 18143 C CB . GLU A 1 35 ? -0.776 12.973 1.467 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 12 -ATOM 18144 C CG . GLU A 1 35 ? -1.434 11.743 2.041 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 12 -ATOM 18145 C CD . GLU A 1 35 ? -2.165 11.989 3.329 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 12 -ATOM 18146 O OE1 . GLU A 1 35 ? -3.355 12.350 3.309 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 12 -ATOM 18147 O OE2 . GLU A 1 35 ? -1.578 11.767 4.401 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 12 -ATOM 18148 H H . GLU A 1 35 ? -1.404 11.545 -0.600 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 12 -ATOM 18149 H HA . GLU A 1 35 ? 0.444 13.636 -0.167 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 12 -ATOM 18150 H HB2 . GLU A 1 35 ? -0.211 13.446 2.256 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 12 -ATOM 18151 H HB3 . GLU A 1 35 ? -1.554 13.642 1.131 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 12 -ATOM 18152 H HG2 . GLU A 1 35 ? -2.146 11.396 1.309 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 12 -ATOM 18153 H HG3 . GLU A 1 35 ? -0.682 10.982 2.197 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 12 -ATOM 18154 N N . VAL A 1 36 ? 1.355 10.664 0.863 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 12 -ATOM 18155 C CA . VAL A 1 36 ? 2.448 9.864 1.385 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 12 -ATOM 18156 C C . VAL A 1 36 ? 3.689 9.902 0.481 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 12 -ATOM 18157 O O . VAL A 1 36 ? 4.787 9.791 0.958 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 12 -ATOM 18158 C CB . VAL A 1 36 ? 2.034 8.407 1.752 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 12 -ATOM 18159 C CG1 . VAL A 1 36 ? 2.037 7.456 0.557 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 12 -ATOM 18160 C CG2 . VAL A 1 36 ? 2.872 7.888 2.903 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 12 -ATOM 18161 H H . VAL A 1 36 ? 0.517 10.204 0.629 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 12 -ATOM 18162 H HA . VAL A 1 36 ? 2.740 10.368 2.295 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 12 -ATOM 18163 H HB . VAL A 1 36 ? 1.011 8.459 2.094 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 12 -ATOM 18164 H HG11 . VAL A 1 36 ? 1.706 6.476 0.865 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 12 -ATOM 18165 H HG12 . VAL A 1 36 ? 3.039 7.387 0.159 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 12 -ATOM 18166 H HG13 . VAL A 1 36 ? 1.378 7.842 -0.207 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 12 -ATOM 18167 H HG21 . VAL A 1 36 ? 2.613 6.860 3.108 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 12 -ATOM 18168 H HG22 . VAL A 1 36 ? 2.680 8.486 3.783 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 12 -ATOM 18169 H HG23 . VAL A 1 36 ? 3.914 7.958 2.640 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 12 -ATOM 18170 N N . LEU A 1 37 ? 3.488 10.074 -0.824 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 12 -ATOM 18171 C CA . LEU A 1 37 ? 4.574 10.090 -1.822 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 12 -ATOM 18172 C C . LEU A 1 37 ? 5.694 11.084 -1.508 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 12 -ATOM 18173 O O . LEU A 1 37 ? 6.824 10.897 -1.978 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 12 -ATOM 18174 C CB . LEU A 1 37 ? 4.041 10.350 -3.236 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 12 -ATOM 18175 C CG . LEU A 1 37 ? 3.208 9.238 -3.869 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 12 -ATOM 18176 C CD1 . LEU A 1 37 ? 2.706 9.662 -5.235 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 12 -ATOM 18177 C CD2 . LEU A 1 37 ? 4.019 7.957 -3.977 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 12 -ATOM 18178 H H . LEU A 1 37 ? 2.566 10.177 -1.140 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 12 -ATOM 18179 H HA . LEU A 1 37 ? 5.015 9.103 -1.815 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 12 -ATOM 18180 H HB2 . LEU A 1 37 ? 3.430 11.241 -3.198 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 12 -ATOM 18181 H HB3 . LEU A 1 37 ? 4.883 10.548 -3.882 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 12 -ATOM 18182 H HG . LEU A 1 37 ? 2.349 9.043 -3.243 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 12 -ATOM 18183 H HD11 . LEU A 1 37 ? 3.546 9.871 -5.880 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 12 -ATOM 18184 H HD12 . LEU A 1 37 ? 2.102 10.552 -5.138 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 12 -ATOM 18185 H HD13 . LEU A 1 37 ? 2.110 8.870 -5.663 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 12 -ATOM 18186 H HD21 . LEU A 1 37 ? 4.928 8.153 -4.527 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 12 -ATOM 18187 H HD22 . LEU A 1 37 ? 3.444 7.219 -4.516 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 12 -ATOM 18188 H HD23 . LEU A 1 37 ? 4.260 7.579 -2.994 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 12 -ATOM 18189 N N . GLU A 1 38 ? 5.404 12.144 -0.754 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 12 -ATOM 18190 C CA . GLU A 1 38 ? 6.454 13.096 -0.425 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 12 -ATOM 18191 C C . GLU A 1 38 ? 7.406 12.528 0.654 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 12 -ATOM 18192 O O . GLU A 1 38 ? 8.583 12.916 0.737 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 12 -ATOM 18193 C CB . GLU A 1 38 ? 5.903 14.477 -0.021 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 12 -ATOM 18194 C CG . GLU A 1 38 ? 5.112 14.532 1.273 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 12 -ATOM 18195 C CD . GLU A 1 38 ? 4.695 15.945 1.609 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 12 -ATOM 18196 O OE1 . GLU A 1 38 ? 5.577 16.798 1.831 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 12 -ATOM 18197 O OE2 . GLU A 1 38 ? 3.489 16.247 1.617 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 12 -ATOM 18198 H H . GLU A 1 38 ? 4.488 12.266 -0.416 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 12 -ATOM 18199 H HA . GLU A 1 38 ? 7.041 13.201 -1.326 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 12 -ATOM 18200 H HB2 . GLU A 1 38 ? 6.732 15.161 0.090 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 12 -ATOM 18201 H HB3 . GLU A 1 38 ? 5.273 14.841 -0.818 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 12 -ATOM 18202 H HG2 . GLU A 1 38 ? 4.227 13.919 1.172 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 12 -ATOM 18203 H HG3 . GLU A 1 38 ? 5.727 14.149 2.075 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 12 -ATOM 18204 N N . SER A 1 39 ? 6.906 11.609 1.460 1.00 0.00 ? ? ? ? ? ? 36 SER A N 12 -ATOM 18205 C CA . SER A 1 39 ? 7.687 10.959 2.508 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 12 -ATOM 18206 C C . SER A 1 39 ? 7.086 9.575 2.807 1.00 0.00 ? ? ? ? ? ? 36 SER A C 12 -ATOM 18207 O O . SER A 1 39 ? 6.378 9.408 3.778 1.00 0.00 ? ? ? ? ? ? 36 SER A O 12 -ATOM 18208 C CB . SER A 1 39 ? 7.673 11.795 3.796 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 12 -ATOM 18209 O OG . SER A 1 39 ? 8.052 13.142 3.552 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 12 -ATOM 18210 H H . SER A 1 39 ? 5.976 11.310 1.341 1.00 0.00 ? ? ? ? ? ? 36 SER A H 12 -ATOM 18211 H HA . SER A 1 39 ? 8.704 10.843 2.163 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 12 -ATOM 18212 H HB2 . SER A 1 39 ? 6.675 11.789 4.211 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 12 -ATOM 18213 H HB3 . SER A 1 39 ? 8.360 11.363 4.509 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 12 -ATOM 18214 H HG . SER A 1 39 ? 8.331 13.190 2.630 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 12 -ATOM 18215 N N . PRO A 1 40 ? 7.277 8.583 1.928 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 12 -ATOM 18216 C CA . PRO A 1 40 ? 6.697 7.255 2.135 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 12 -ATOM 18217 C C . PRO A 1 40 ? 7.504 6.384 3.096 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 12 -ATOM 18218 O O . PRO A 1 40 ? 7.059 5.324 3.506 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 12 -ATOM 18219 C CB . PRO A 1 40 ? 6.688 6.669 0.731 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 12 -ATOM 18220 C CG . PRO A 1 40 ? 7.874 7.282 0.078 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 12 -ATOM 18221 C CD . PRO A 1 40 ? 7.970 8.682 0.625 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 12 -ATOM 18222 H HA . PRO A 1 40 ? 5.687 7.317 2.506 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 12 -ATOM 18223 H HB2 . PRO A 1 40 ? 6.756 5.594 0.781 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 12 -ATOM 18224 H HB3 . PRO A 1 40 ? 5.776 6.950 0.226 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 12 -ATOM 18225 H HG2 . PRO A 1 40 ? 8.760 6.717 0.328 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 12 -ATOM 18226 H HG3 . PRO A 1 40 ? 7.737 7.306 -0.993 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 12 -ATOM 18227 H HD2 . PRO A 1 40 ? 8.998 8.989 0.748 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 12 -ATOM 18228 H HD3 . PRO A 1 40 ? 7.435 9.365 -0.020 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 12 -ATOM 18229 N N . ARG A 1 41 ? 8.663 6.866 3.485 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 12 -ATOM 18230 C CA . ARG A 1 41 ? 9.558 6.133 4.365 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 12 -ATOM 18231 C C . ARG A 1 41 ? 9.289 6.441 5.853 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 12 -ATOM 18232 O O . ARG A 1 41 ? 10.184 6.443 6.674 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 12 -ATOM 18233 C CB . ARG A 1 41 ? 11.044 6.360 3.931 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 12 -ATOM 18234 C CG . ARG A 1 41 ? 11.520 7.824 3.783 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 12 -ATOM 18235 C CD . ARG A 1 41 ? 11.787 8.508 5.118 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 12 -ATOM 18236 N NE . ARG A 1 41 ? 12.830 7.802 5.897 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 12 -ATOM 18237 C CZ . ARG A 1 41 ? 12.938 7.819 7.241 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 12 -ATOM 18238 N NH1 . ARG A 1 41 ? 12.096 8.539 7.979 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 12 -ATOM 18239 N NH2 . ARG A 1 41 ? 13.889 7.107 7.838 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 12 -ATOM 18240 H H . ARG A 1 41 ? 8.910 7.758 3.166 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 12 -ATOM 18241 H HA . ARG A 1 41 ? 9.318 5.089 4.220 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 12 -ATOM 18242 H HB2 . ARG A 1 41 ? 11.683 5.891 4.665 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 12 -ATOM 18243 H HB3 . ARG A 1 41 ? 11.198 5.859 2.986 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 12 -ATOM 18244 H HG2 . ARG A 1 41 ? 12.428 7.839 3.200 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 12 -ATOM 18245 H HG3 . ARG A 1 41 ? 10.757 8.374 3.251 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 12 -ATOM 18246 H HD2 . ARG A 1 41 ? 12.102 9.523 4.931 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 12 -ATOM 18247 H HD3 . ARG A 1 41 ? 10.867 8.517 5.686 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 12 -ATOM 18248 H HE . ARG A 1 41 ? 13.466 7.275 5.363 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 12 -ATOM 18249 H HH11 . ARG A 1 41 ? 11.357 9.086 7.576 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 12 -ATOM 18250 H HH12 . ARG A 1 41 ? 12.170 8.557 8.978 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 12 -ATOM 18251 H HH21 . ARG A 1 41 ? 14.549 6.550 7.330 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 12 -ATOM 18252 H HH22 . ARG A 1 41 ? 13.986 7.070 8.838 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 12 -ATOM 18253 N N . ILE A 1 42 ? 8.033 6.576 6.200 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 12 -ATOM 18254 C CA . ILE A 1 42 ? 7.657 6.914 7.561 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 12 -ATOM 18255 C C . ILE A 1 42 ? 7.675 5.650 8.410 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 12 -ATOM 18256 O O . ILE A 1 42 ? 6.815 4.776 8.271 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 12 -ATOM 18257 C CB . ILE A 1 42 ? 6.251 7.581 7.613 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 12 -ATOM 18258 C CG1 . ILE A 1 42 ? 6.276 8.892 6.827 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 12 -ATOM 18259 C CG2 . ILE A 1 42 ? 5.810 7.833 9.055 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 12 -ATOM 18260 C CD1 . ILE A 1 42 ? 4.942 9.606 6.740 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 12 -ATOM 18261 H H . ILE A 1 42 ? 7.348 6.409 5.519 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 12 -ATOM 18262 H HA . ILE A 1 42 ? 8.393 7.604 7.943 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 12 -ATOM 18263 H HB . ILE A 1 42 ? 5.539 6.915 7.148 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 12 -ATOM 18264 H HG12 . ILE A 1 42 ? 6.970 9.566 7.307 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 12 -ATOM 18265 H HG13 . ILE A 1 42 ? 6.616 8.694 5.821 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 12 -ATOM 18266 H HG21 . ILE A 1 42 ? 4.817 8.259 9.061 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 12 -ATOM 18267 H HG22 . ILE A 1 42 ? 6.496 8.532 9.507 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 12 -ATOM 18268 H HG23 . ILE A 1 42 ? 5.815 6.906 9.610 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 12 -ATOM 18269 H HD11 . ILE A 1 42 ? 4.590 9.838 7.735 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 12 -ATOM 18270 H HD12 . ILE A 1 42 ? 4.228 8.969 6.239 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 12 -ATOM 18271 H HD13 . ILE A 1 42 ? 5.064 10.519 6.177 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 12 -ATOM 18272 N N . GLU A 1 43 ? 8.664 5.569 9.291 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 12 -ATOM 18273 C CA . GLU A 1 43 ? 8.912 4.378 10.098 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 12 -ATOM 18274 C C . GLU A 1 43 ? 7.752 4.015 11.018 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 12 -ATOM 18275 O O . GLU A 1 43 ? 7.574 2.848 11.359 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 12 -ATOM 18276 C CB . GLU A 1 43 ? 10.216 4.486 10.879 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 12 -ATOM 18277 C CG . GLU A 1 43 ? 10.296 5.668 11.817 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 12 -ATOM 18278 C CD . GLU A 1 43 ? 11.563 5.650 12.606 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 12 -ATOM 18279 O OE1 . GLU A 1 43 ? 12.590 6.131 12.104 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 12 -ATOM 18280 O OE2 . GLU A 1 43 ? 11.563 5.121 13.731 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 12 -ATOM 18281 H H . GLU A 1 43 ? 9.258 6.346 9.389 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 12 -ATOM 18282 H HA . GLU A 1 43 ? 9.021 3.576 9.387 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 12 -ATOM 18283 H HB2 . GLU A 1 43 ? 10.339 3.588 11.466 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 12 -ATOM 18284 H HB3 . GLU A 1 43 ? 11.034 4.554 10.176 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 12 -ATOM 18285 H HG2 . GLU A 1 43 ? 10.263 6.577 11.235 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 12 -ATOM 18286 H HG3 . GLU A 1 43 ? 9.457 5.638 12.496 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 12 -ATOM 18287 N N . ALA A 1 44 ? 6.935 5.000 11.370 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 12 -ATOM 18288 C CA . ALA A 1 44 ? 5.766 4.773 12.225 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 12 -ATOM 18289 C C . ALA A 1 44 ? 4.690 3.969 11.489 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 12 -ATOM 18290 O O . ALA A 1 44 ? 3.699 3.550 12.078 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 12 -ATOM 18291 C CB . ALA A 1 44 ? 5.189 6.095 12.702 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 12 -ATOM 18292 H H . ALA A 1 44 ? 7.136 5.907 11.058 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 12 -ATOM 18293 H HA . ALA A 1 44 ? 6.093 4.209 13.086 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 12 -ATOM 18294 H HB1 . ALA A 1 44 ? 4.354 5.908 13.361 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 12 -ATOM 18295 H HB2 . ALA A 1 44 ? 4.854 6.667 11.850 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 12 -ATOM 18296 H HB3 . ALA A 1 44 ? 5.948 6.650 13.233 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 12 -ATOM 18297 N N . ASN A 1 45 ? 4.895 3.763 10.203 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 12 -ATOM 18298 C CA . ASN A 1 45 ? 3.964 3.008 9.394 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 12 -ATOM 18299 C C . ASN A 1 45 ? 4.548 1.666 9.011 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 12 -ATOM 18300 O O . ASN A 1 45 ? 3.923 0.924 8.274 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 12 -ATOM 18301 C CB . ASN A 1 45 ? 3.603 3.763 8.101 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 12 -ATOM 18302 C CG . ASN A 1 45 ? 2.889 5.074 8.317 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 12 -ATOM 18303 O OD1 . ASN A 1 45 ? 2.144 5.255 9.279 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 12 -ATOM 18304 N ND2 . ASN A 1 45 ? 3.115 6.004 7.432 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 12 -ATOM 18305 H H . ASN A 1 45 ? 5.700 4.132 9.778 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 12 -ATOM 18306 H HA . ASN A 1 45 ? 3.060 2.858 9.964 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 12 -ATOM 18307 H HB2 . ASN A 1 45 ? 4.510 3.975 7.556 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 12 -ATOM 18308 H HB3 . ASN A 1 45 ? 2.974 3.126 7.499 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 12 -ATOM 18309 H HD21 . ASN A 1 45 ? 3.727 5.793 6.697 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 12 -ATOM 18310 H HD22 . ASN A 1 45 ? 2.674 6.875 7.523 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 12 -ATOM 18311 N N . LYS A 1 46 ? 5.740 1.340 9.507 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 12 -ATOM 18312 C CA . LYS A 1 46 ? 6.391 0.085 9.114 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 12 -ATOM 18313 C C . LYS A 1 46 ? 5.739 -1.138 9.679 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 12 -ATOM 18314 O O . LYS A 1 46 ? 5.264 -1.151 10.815 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 12 -ATOM 18315 C CB . LYS A 1 46 ? 7.880 0.023 9.476 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 12 -ATOM 18316 C CG . LYS A 1 46 ? 8.782 0.849 8.601 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 12 -ATOM 18317 C CD . LYS A 1 46 ? 10.274 0.699 8.948 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 12 -ATOM 18318 C CE . LYS A 1 46 ? 10.895 -0.664 8.532 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 12 -ATOM 18319 N NZ . LYS A 1 46 ? 10.456 -1.841 9.348 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 12 -ATOM 18320 H H . LYS A 1 46 ? 6.174 1.928 10.164 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 12 -ATOM 18321 H HA . LYS A 1 46 ? 6.320 0.028 8.038 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 12 -ATOM 18322 H HB2 . LYS A 1 46 ? 7.999 0.366 10.493 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 12 -ATOM 18323 H HB3 . LYS A 1 46 ? 8.199 -1.007 9.423 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 12 -ATOM 18324 H HG2 . LYS A 1 46 ? 8.638 0.530 7.579 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 12 -ATOM 18325 H HG3 . LYS A 1 46 ? 8.491 1.883 8.690 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 12 -ATOM 18326 H HD2 . LYS A 1 46 ? 10.820 1.482 8.444 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 12 -ATOM 18327 H HD3 . LYS A 1 46 ? 10.391 0.829 10.014 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 12 -ATOM 18328 H HE2 . LYS A 1 46 ? 10.631 -0.858 7.503 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 12 -ATOM 18329 H HE3 . LYS A 1 46 ? 11.968 -0.571 8.598 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 12 -ATOM 18330 H HZ1 . LYS A 1 46 ? 10.598 -1.665 10.364 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 12 -ATOM 18331 H HZ2 . LYS A 1 46 ? 11.064 -2.657 9.114 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 12 -ATOM 18332 H HZ3 . LYS A 1 46 ? 9.479 -2.150 9.182 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 12 -ATOM 18333 N N . LEU A 1 47 ? 5.716 -2.155 8.863 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 12 -ATOM 18334 C CA . LEU A 1 47 ? 5.367 -3.466 9.295 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 12 -ATOM 18335 C C . LEU A 1 47 ? 6.627 -4.059 9.853 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 12 -ATOM 18336 O O . LEU A 1 47 ? 7.680 -4.042 9.187 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 12 -ATOM 18337 C CB . LEU A 1 47 ? 4.880 -4.327 8.131 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 12 -ATOM 18338 C CG . LEU A 1 47 ? 3.593 -3.896 7.442 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 12 -ATOM 18339 C CD1 . LEU A 1 47 ? 3.301 -4.830 6.291 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 12 -ATOM 18340 C CD2 . LEU A 1 47 ? 2.438 -3.912 8.420 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 12 -ATOM 18341 H H . LEU A 1 47 ? 5.957 -2.009 7.921 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 12 -ATOM 18342 H HA . LEU A 1 47 ? 4.614 -3.407 10.065 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 12 -ATOM 18343 H HB2 . LEU A 1 47 ? 5.662 -4.344 7.386 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 12 -ATOM 18344 H HB3 . LEU A 1 47 ? 4.743 -5.332 8.500 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 12 -ATOM 18345 H HG . LEU A 1 47 ? 3.704 -2.894 7.055 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 12 -ATOM 18346 H HD11 . LEU A 1 47 ? 4.104 -4.777 5.572 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 12 -ATOM 18347 H HD12 . LEU A 1 47 ? 2.369 -4.544 5.823 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 12 -ATOM 18348 H HD13 . LEU A 1 47 ? 3.220 -5.839 6.666 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 12 -ATOM 18349 H HD21 . LEU A 1 47 ? 1.539 -3.582 7.921 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 12 -ATOM 18350 H HD22 . LEU A 1 47 ? 2.663 -3.261 9.252 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 12 -ATOM 18351 H HD23 . LEU A 1 47 ? 2.296 -4.919 8.785 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 12 -ATOM 18352 N N . ARG A 1 48 ? 6.556 -4.523 11.045 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 12 -ATOM 18353 C CA . ARG A 1 48 ? 7.692 -5.065 11.709 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 12 -ATOM 18354 C C . ARG A 1 48 ? 7.842 -6.519 11.341 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 12 -ATOM 18355 O O . ARG A 1 48 ? 6.984 -7.346 11.647 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 12 -ATOM 18356 C CB . ARG A 1 48 ? 7.549 -4.844 13.197 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 12 -ATOM 18357 C CG . ARG A 1 48 ? 7.590 -3.366 13.561 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 12 -ATOM 18358 C CD . ARG A 1 48 ? 7.118 -3.118 14.970 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 12 -ATOM 18359 N NE . ARG A 1 48 ? 5.703 -3.461 15.130 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 12 -ATOM 18360 C CZ . ARG A 1 48 ? 5.028 -3.386 16.269 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 12 -ATOM 18361 N NH1 . ARG A 1 48 ? 5.628 -2.949 17.367 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 12 -ATOM 18362 N NH2 . ARG A 1 48 ? 3.748 -3.720 16.304 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 12 -ATOM 18363 H H . ARG A 1 48 ? 5.693 -4.530 11.511 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 12 -ATOM 18364 H HA . ARG A 1 48 ? 8.558 -4.528 11.355 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 12 -ATOM 18365 H HB2 . ARG A 1 48 ? 6.608 -5.258 13.528 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 12 -ATOM 18366 H HB3 . ARG A 1 48 ? 8.358 -5.345 13.702 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 12 -ATOM 18367 H HG2 . ARG A 1 48 ? 8.606 -3.012 13.471 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 12 -ATOM 18368 H HG3 . ARG A 1 48 ? 6.957 -2.823 12.874 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 12 -ATOM 18369 H HD2 . ARG A 1 48 ? 7.705 -3.716 15.650 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 12 -ATOM 18370 H HD3 . ARG A 1 48 ? 7.248 -2.072 15.204 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 12 -ATOM 18371 H HE . ARG A 1 48 ? 5.257 -3.763 14.305 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 12 -ATOM 18372 H HH11 . ARG A 1 48 ? 6.590 -2.669 17.374 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 12 -ATOM 18373 H HH12 . ARG A 1 48 ? 5.143 -2.866 18.243 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 12 -ATOM 18374 H HH21 . ARG A 1 48 ? 3.251 -4.030 15.489 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 12 -ATOM 18375 H HH22 . ARG A 1 48 ? 3.213 -3.701 17.153 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 12 -ATOM 18376 N N . GLY A 1 49 ? 8.910 -6.812 10.659 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 12 -ATOM 18377 C CA . GLY A 1 49 ? 9.130 -8.133 10.140 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 12 -ATOM 18378 C C . GLY A 1 49 ? 9.144 -8.088 8.635 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 12 -ATOM 18379 O O . GLY A 1 49 ? 9.167 -9.118 7.959 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 12 -ATOM 18380 H H . GLY A 1 49 ? 9.582 -6.113 10.497 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 12 -ATOM 18381 H HA2 . GLY A 1 49 ? 10.075 -8.508 10.504 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 12 -ATOM 18382 H HA3 . GLY A 1 49 ? 8.331 -8.784 10.463 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 12 -ATOM 18383 N N . MET A 1 50 ? 9.093 -6.879 8.114 1.00 0.00 ? ? ? ? ? ? 47 MET A N 12 -ATOM 18384 C CA . MET A 1 50 ? 9.145 -6.625 6.699 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 12 -ATOM 18385 C C . MET A 1 50 ? 10.181 -5.539 6.488 1.00 0.00 ? ? ? ? ? ? 47 MET A C 12 -ATOM 18386 O O . MET A 1 50 ? 10.224 -4.594 7.280 1.00 0.00 ? ? ? ? ? ? 47 MET A O 12 -ATOM 18387 C CB . MET A 1 50 ? 7.779 -6.144 6.177 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 12 -ATOM 18388 C CG . MET A 1 50 ? 6.621 -7.123 6.377 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 12 -ATOM 18389 S SD . MET A 1 50 ? 6.845 -8.710 5.534 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 12 -ATOM 18390 C CE . MET A 1 50 ? 6.898 -8.208 3.814 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 12 -ATOM 18391 H H . MET A 1 50 ? 9.034 -6.098 8.705 1.00 0.00 ? ? ? ? ? ? 47 MET A H 12 -ATOM 18392 H HA . MET A 1 50 ? 9.441 -7.532 6.196 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 12 -ATOM 18393 H HB2 . MET A 1 50 ? 7.529 -5.228 6.691 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 12 -ATOM 18394 H HB3 . MET A 1 50 ? 7.873 -5.934 5.121 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 12 -ATOM 18395 H HG2 . MET A 1 50 ? 6.514 -7.317 7.434 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 12 -ATOM 18396 H HG3 . MET A 1 50 ? 5.715 -6.663 6.010 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 12 -ATOM 18397 H HE1 . MET A 1 50 ? 7.025 -9.081 3.190 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 12 -ATOM 18398 H HE2 . MET A 1 50 ? 7.726 -7.534 3.657 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 12 -ATOM 18399 H HE3 . MET A 1 50 ? 5.974 -7.713 3.557 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 12 -ATOM 18400 N N . PRO A 1 51 ? 11.026 -5.650 5.433 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 12 -ATOM 18401 C CA . PRO A 1 51 ? 12.124 -4.693 5.166 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 12 -ATOM 18402 C C . PRO A 1 51 ? 11.649 -3.238 5.155 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 12 -ATOM 18403 O O . PRO A 1 51 ? 11.909 -2.475 6.087 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 12 -ATOM 18404 C CB . PRO A 1 51 ? 12.652 -5.115 3.778 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 12 -ATOM 18405 C CG . PRO A 1 51 ? 11.622 -6.057 3.232 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 12 -ATOM 18406 C CD . PRO A 1 51 ? 10.989 -6.714 4.420 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 12 -ATOM 18407 H HA . PRO A 1 51 ? 12.909 -4.788 5.902 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 12 -ATOM 18408 H HB2 . PRO A 1 51 ? 12.751 -4.240 3.155 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 12 -ATOM 18409 H HB3 . PRO A 1 51 ? 13.614 -5.596 3.882 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 12 -ATOM 18410 H HG2 . PRO A 1 51 ? 10.881 -5.501 2.677 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 12 -ATOM 18411 H HG3 . PRO A 1 51 ? 12.092 -6.793 2.598 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 12 -ATOM 18412 H HD2 . PRO A 1 51 ? 9.973 -7.000 4.192 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 12 -ATOM 18413 H HD3 . PRO A 1 51 ? 11.560 -7.573 4.741 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 12 -ATOM 18414 N N . ASP A 1 52 ? 10.926 -2.880 4.128 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 12 -ATOM 18415 C CA . ASP A 1 52 ? 10.341 -1.568 4.018 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 12 -ATOM 18416 C C . ASP A 1 52 ? 8.956 -1.688 3.499 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 12 -ATOM 18417 O O . ASP A 1 52 ? 8.709 -1.543 2.304 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 12 -ATOM 18418 C CB . ASP A 1 52 ? 11.143 -0.587 3.144 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 12 -ATOM 18419 C CG . ASP A 1 52 ? 12.399 -0.066 3.790 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 12 -ATOM 18420 O OD1 . ASP A 1 52 ? 12.306 0.768 4.715 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 12 -ATOM 18421 O OD2 . ASP A 1 52 ? 13.506 -0.421 3.343 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 12 -ATOM 18422 H H . ASP A 1 52 ? 10.774 -3.531 3.413 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 12 -ATOM 18423 H HA . ASP A 1 52 ? 10.282 -1.173 5.021 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 12 -ATOM 18424 H HB2 . ASP A 1 52 ? 11.422 -1.079 2.223 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 12 -ATOM 18425 H HB3 . ASP A 1 52 ? 10.504 0.252 2.912 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 12 -ATOM 18426 N N . CYS A 1 53 ? 8.067 -2.059 4.362 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 12 -ATOM 18427 C CA . CYS A 1 53 ? 6.692 -2.148 4.023 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 12 -ATOM 18428 C C . CYS A 1 53 ? 5.942 -1.346 5.028 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 12 -ATOM 18429 O O . CYS A 1 53 ? 6.298 -1.346 6.216 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 12 -ATOM 18430 C CB . CYS A 1 53 ? 6.240 -3.604 4.014 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 12 -ATOM 18431 S SG . CYS A 1 53 ? 7.207 -4.641 2.892 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 12 -ATOM 18432 H H . CYS A 1 53 ? 8.312 -2.263 5.288 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 12 -ATOM 18433 H HA . CYS A 1 53 ? 6.551 -1.715 3.044 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 12 -ATOM 18434 H HB2 . CYS A 1 53 ? 6.333 -4.011 5.011 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 12 -ATOM 18435 H HB3 . CYS A 1 53 ? 5.207 -3.654 3.703 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 12 -ATOM 18436 H HG . CYS A 1 53 ? 7.735 -3.796 2.017 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 12 -ATOM 18437 N N . TYR A 1 54 ? 4.945 -0.664 4.580 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 12 -ATOM 18438 C CA . TYR A 1 54 ? 4.220 0.247 5.410 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 12 -ATOM 18439 C C . TYR A 1 54 ? 2.757 0.022 5.205 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 12 -ATOM 18440 O O . TYR A 1 54 ? 2.348 -0.492 4.149 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 12 -ATOM 18441 C CB . TYR A 1 54 ? 4.562 1.704 5.031 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 12 -ATOM 18442 C CG . TYR A 1 54 ? 6.047 2.017 4.982 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 12 -ATOM 18443 C CD1 . TYR A 1 54 ? 6.774 1.778 3.833 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 12 -ATOM 18444 C CD2 . TYR A 1 54 ? 6.716 2.539 6.070 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 12 -ATOM 18445 C CE1 . TYR A 1 54 ? 8.110 2.044 3.769 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 12 -ATOM 18446 C CE2 . TYR A 1 54 ? 8.073 2.815 6.007 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 12 -ATOM 18447 C CZ . TYR A 1 54 ? 8.759 2.564 4.846 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 12 -ATOM 18448 O OH . TYR A 1 54 ? 10.112 2.819 4.766 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 12 -ATOM 18449 H H . TYR A 1 54 ? 4.656 -0.771 3.644 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 12 -ATOM 18450 H HA . TYR A 1 54 ? 4.484 0.084 6.443 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 12 -ATOM 18451 H HB2 . TYR A 1 54 ? 4.149 1.915 4.057 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 12 -ATOM 18452 H HB3 . TYR A 1 54 ? 4.104 2.367 5.750 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 12 -ATOM 18453 H HD1 . TYR A 1 54 ? 6.267 1.368 2.971 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 12 -ATOM 18454 H HD2 . TYR A 1 54 ? 6.171 2.732 6.983 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 12 -ATOM 18455 H HE1 . TYR A 1 54 ? 8.644 1.842 2.854 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 12 -ATOM 18456 H HE2 . TYR A 1 54 ? 8.582 3.227 6.866 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 12 -ATOM 18457 H HH . TYR A 1 54 ? 10.581 2.297 5.428 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 12 -ATOM 18458 N N . LYS A 1 55 ? 1.977 0.376 6.183 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 12 -ATOM 18459 C CA . LYS A 1 55 ? 0.560 0.250 6.070 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 12 -ATOM 18460 C C . LYS A 1 55 ? -0.103 1.572 6.376 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 12 -ATOM 18461 O O . LYS A 1 55 ? 0.314 2.301 7.289 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 12 -ATOM 18462 C CB . LYS A 1 55 ? -0.029 -0.891 6.966 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 12 -ATOM 18463 C CG . LYS A 1 55 ? -0.033 -0.674 8.505 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 12 -ATOM 18464 C CD . LYS A 1 55 ? 1.364 -0.561 9.097 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 12 -ATOM 18465 C CE . LYS A 1 55 ? 1.346 -0.503 10.621 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 12 -ATOM 18466 N NZ . LYS A 1 55 ? 0.587 0.659 11.140 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 12 -ATOM 18467 H H . LYS A 1 55 ? 2.373 0.751 7.000 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 12 -ATOM 18468 H HA . LYS A 1 55 ? 0.356 0.012 5.036 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 12 -ATOM 18469 H HB2 . LYS A 1 55 ? -1.052 -1.059 6.665 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 12 -ATOM 18470 H HB3 . LYS A 1 55 ? 0.530 -1.791 6.756 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 12 -ATOM 18471 H HG2 . LYS A 1 55 ? -0.565 0.240 8.722 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 12 -ATOM 18472 H HG3 . LYS A 1 55 ? -0.549 -1.503 8.968 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 12 -ATOM 18473 H HD2 . LYS A 1 55 ? 1.951 -1.409 8.781 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 12 -ATOM 18474 H HD3 . LYS A 1 55 ? 1.820 0.343 8.722 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 12 -ATOM 18475 H HE2 . LYS A 1 55 ? 0.891 -1.408 10.996 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 12 -ATOM 18476 H HE3 . LYS A 1 55 ? 2.365 -0.445 10.973 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 12 -ATOM 18477 H HZ1 . LYS A 1 55 ? -0.406 0.631 10.839 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 12 -ATOM 18478 H HZ2 . LYS A 1 55 ? 0.999 1.566 10.843 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 12 -ATOM 18479 H HZ3 . LYS A 1 55 ? 0.600 0.643 12.180 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 12 -ATOM 18480 N N . ILE A 1 56 ? -1.106 1.877 5.618 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 12 -ATOM 18481 C CA . ILE A 1 56 ? -1.896 3.055 5.830 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 12 -ATOM 18482 C C . ILE A 1 56 ? -3.231 2.594 6.349 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 12 -ATOM 18483 O O . ILE A 1 56 ? -3.726 1.555 5.927 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 12 -ATOM 18484 C CB . ILE A 1 56 ? -2.100 3.884 4.517 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 12 -ATOM 18485 C CG1 . ILE A 1 56 ? -0.744 4.306 3.930 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 12 -ATOM 18486 C CG2 . ILE A 1 56 ? -2.979 5.122 4.777 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 12 -ATOM 18487 C CD1 . ILE A 1 56 ? -0.847 5.180 2.692 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 12 -ATOM 18488 H H . ILE A 1 56 ? -1.324 1.271 4.873 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 12 -ATOM 18489 H HA . ILE A 1 56 ? -1.410 3.665 6.576 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 12 -ATOM 18490 H HB . ILE A 1 56 ? -2.612 3.257 3.803 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 12 -ATOM 18491 H HG12 . ILE A 1 56 ? -0.184 4.848 4.676 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 12 -ATOM 18492 H HG13 . ILE A 1 56 ? -0.192 3.417 3.664 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 12 -ATOM 18493 H HG21 . ILE A 1 56 ? -2.503 5.762 5.505 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 12 -ATOM 18494 H HG22 . ILE A 1 56 ? -3.940 4.810 5.156 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 12 -ATOM 18495 H HG23 . ILE A 1 56 ? -3.118 5.666 3.855 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 12 -ATOM 18496 H HD11 . ILE A 1 56 ? 0.137 5.497 2.381 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 12 -ATOM 18497 H HD12 . ILE A 1 56 ? -1.436 6.050 2.932 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 12 -ATOM 18498 H HD13 . ILE A 1 56 ? -1.323 4.629 1.893 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 12 -ATOM 18499 N N . LYS A 1 57 ? -3.789 3.332 7.256 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 12 -ATOM 18500 C CA . LYS A 1 57 ? -5.041 2.992 7.852 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 12 -ATOM 18501 C C . LYS A 1 57 ? -6.031 4.070 7.509 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 12 -ATOM 18502 O O . LYS A 1 57 ? -5.734 5.268 7.644 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 12 -ATOM 18503 C CB . LYS A 1 57 ? -4.945 2.764 9.396 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 12 -ATOM 18504 C CG . LYS A 1 57 ? -4.386 3.937 10.212 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 12 -ATOM 18505 C CD . LYS A 1 57 ? -2.872 4.072 10.077 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 12 -ATOM 18506 C CE . LYS A 1 57 ? -2.399 5.405 10.590 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 12 -ATOM 18507 N NZ . LYS A 1 57 ? -2.608 5.557 12.040 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 12 -ATOM 18508 H H . LYS A 1 57 ? -3.381 4.188 7.492 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 12 -ATOM 18509 H HA . LYS A 1 57 ? -5.360 2.079 7.376 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 12 -ATOM 18510 H HB2 . LYS A 1 57 ? -5.932 2.545 9.772 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 12 -ATOM 18511 H HB3 . LYS A 1 57 ? -4.320 1.902 9.571 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 12 -ATOM 18512 H HG2 . LYS A 1 57 ? -4.842 4.850 9.862 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 12 -ATOM 18513 H HG3 . LYS A 1 57 ? -4.637 3.787 11.251 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 12 -ATOM 18514 H HD2 . LYS A 1 57 ? -2.412 3.299 10.676 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 12 -ATOM 18515 H HD3 . LYS A 1 57 ? -2.559 3.951 9.053 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 12 -ATOM 18516 H HE2 . LYS A 1 57 ? -1.354 5.515 10.348 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 12 -ATOM 18517 H HE3 . LYS A 1 57 ? -2.972 6.155 10.063 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 12 -ATOM 18518 H HZ1 . LYS A 1 57 ? -3.603 5.391 12.288 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 12 -ATOM 18519 H HZ2 . LYS A 1 57 ? -2.359 6.523 12.335 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 12 -ATOM 18520 H HZ3 . LYS A 1 57 ? -2.010 4.889 12.566 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 12 -ATOM 18521 N N . LEU A 1 58 ? -7.155 3.669 7.016 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 12 -ATOM 18522 C CA . LEU A 1 58 ? -8.156 4.598 6.602 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 12 -ATOM 18523 C C . LEU A 1 58 ? -8.946 5.054 7.819 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 12 -ATOM 18524 O O . LEU A 1 58 ? -9.189 4.261 8.736 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 12 -ATOM 18525 C CB . LEU A 1 58 ? -9.066 3.945 5.561 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 12 -ATOM 18526 C CG . LEU A 1 58 ? -9.862 4.893 4.676 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 12 -ATOM 18527 C CD1 . LEU A 1 58 ? -8.913 5.766 3.890 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 12 -ATOM 18528 C CD2 . LEU A 1 58 ? -10.759 4.115 3.739 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 12 -ATOM 18529 H H . LEU A 1 58 ? -7.322 2.706 6.917 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 12 -ATOM 18530 H HA . LEU A 1 58 ? -7.659 5.448 6.161 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 12 -ATOM 18531 H HB2 . LEU A 1 58 ? -8.454 3.324 4.925 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 12 -ATOM 18532 H HB3 . LEU A 1 58 ? -9.765 3.308 6.083 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 12 -ATOM 18533 H HG . LEU A 1 58 ? -10.479 5.547 5.273 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 12 -ATOM 18534 H HD11 . LEU A 1 58 ? -9.492 6.386 3.226 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 12 -ATOM 18535 H HD12 . LEU A 1 58 ? -8.244 5.148 3.311 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 12 -ATOM 18536 H HD13 . LEU A 1 58 ? -8.345 6.397 4.556 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 12 -ATOM 18537 H HD21 . LEU A 1 58 ? -11.447 3.513 4.314 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 12 -ATOM 18538 H HD22 . LEU A 1 58 ? -10.157 3.473 3.113 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 12 -ATOM 18539 H HD23 . LEU A 1 58 ? -11.316 4.801 3.118 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 12 -ATOM 18540 N N . ARG A 1 59 ? -9.337 6.320 7.833 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 12 -ATOM 18541 C CA . ARG A 1 59 ? -10.042 6.895 8.972 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 12 -ATOM 18542 C C . ARG A 1 59 ? -11.463 6.375 8.995 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 12 -ATOM 18543 O O . ARG A 1 59 ? -12.034 6.125 10.057 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 12 -ATOM 18544 C CB . ARG A 1 59 ? -10.043 8.426 8.890 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 12 -ATOM 18545 C CG . ARG A 1 59 ? -8.657 9.045 8.779 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 12 -ATOM 18546 C CD . ARG A 1 59 ? -7.845 8.877 10.055 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 12 -ATOM 18547 N NE . ARG A 1 59 ? -8.367 9.707 11.153 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 12 -ATOM 18548 C CZ . ARG A 1 59 ? -7.659 10.090 12.226 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 12 -ATOM 18549 N NH1 . ARG A 1 59 ? -6.445 9.584 12.448 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 12 -ATOM 18550 N NH2 . ARG A 1 59 ? -8.179 10.954 13.087 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 12 -ATOM 18551 H H . ARG A 1 59 ? -9.171 6.875 7.041 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 12 -ATOM 18552 H HA . ARG A 1 59 ? -9.541 6.584 9.876 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 12 -ATOM 18553 H HB2 . ARG A 1 59 ? -10.634 8.745 8.045 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 12 -ATOM 18554 H HB3 . ARG A 1 59 ? -10.505 8.805 9.790 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 12 -ATOM 18555 H HG2 . ARG A 1 59 ? -8.125 8.569 7.967 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 12 -ATOM 18556 H HG3 . ARG A 1 59 ? -8.764 10.099 8.567 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 12 -ATOM 18557 H HD2 . ARG A 1 59 ? -7.870 7.840 10.354 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 12 -ATOM 18558 H HD3 . ARG A 1 59 ? -6.825 9.167 9.853 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 12 -ATOM 18559 H HE . ARG A 1 59 ? -9.291 10.030 11.034 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 12 -ATOM 18560 H HH11 . ARG A 1 59 ? -6.036 8.911 11.832 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 12 -ATOM 18561 H HH12 . ARG A 1 59 ? -5.875 9.877 13.224 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 12 -ATOM 18562 H HH21 . ARG A 1 59 ? -9.100 11.335 12.960 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 12 -ATOM 18563 H HH22 . ARG A 1 59 ? -7.671 11.299 13.884 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 12 -ATOM 18564 N N . SER A 1 60 ? -12.019 6.215 7.827 1.00 0.00 ? ? ? ? ? ? 57 SER A N 12 -ATOM 18565 C CA . SER A 1 60 ? -13.333 5.681 7.675 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 12 -ATOM 18566 C C . SER A 1 60 ? -13.245 4.196 7.302 1.00 0.00 ? ? ? ? ? ? 57 SER A C 12 -ATOM 18567 O O . SER A 1 60 ? -12.238 3.756 6.729 1.00 0.00 ? ? ? ? ? ? 57 SER A O 12 -ATOM 18568 C CB . SER A 1 60 ? -14.073 6.472 6.595 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 12 -ATOM 18569 O OG . SER A 1 60 ? -14.104 7.866 6.922 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 12 -ATOM 18570 H H . SER A 1 60 ? -11.519 6.469 7.021 1.00 0.00 ? ? ? ? ? ? 57 SER A H 12 -ATOM 18571 H HA . SER A 1 60 ? -13.858 5.789 8.611 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 12 -ATOM 18572 H HB2 . SER A 1 60 ? -13.567 6.346 5.650 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 12 -ATOM 18573 H HB3 . SER A 1 60 ? -15.087 6.109 6.516 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 12 -ATOM 18574 H HG . SER A 1 60 ? -14.286 7.904 7.871 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 12 -ATOM 18575 N N . SER A 1 61 ? -14.251 3.424 7.705 1.00 0.00 ? ? ? ? ? ? 58 SER A N 12 -ATOM 18576 C CA . SER A 1 61 ? -14.403 2.000 7.366 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 12 -ATOM 18577 C C . SER A 1 61 ? -13.395 1.050 8.084 1.00 0.00 ? ? ? ? ? ? 58 SER A C 12 -ATOM 18578 O O . SER A 1 61 ? -13.786 -0.010 8.582 1.00 0.00 ? ? ? ? ? ? 58 SER A O 12 -ATOM 18579 C CB . SER A 1 61 ? -14.390 1.807 5.844 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 12 -ATOM 18580 O OG . SER A 1 61 ? -15.371 2.636 5.233 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 12 -ATOM 18581 H H . SER A 1 61 ? -14.948 3.820 8.271 1.00 0.00 ? ? ? ? ? ? 58 SER A H 12 -ATOM 18582 H HA . SER A 1 61 ? -15.384 1.724 7.722 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 12 -ATOM 18583 H HB2 . SER A 1 61 ? -13.418 2.077 5.458 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 12 -ATOM 18584 H HB3 . SER A 1 61 ? -14.606 0.776 5.608 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 12 -ATOM 18585 H HG . SER A 1 61 ? -16.172 2.576 5.769 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 12 -ATOM 18586 N N . GLY A 1 62 ? -12.132 1.423 8.147 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 12 -ATOM 18587 C CA . GLY A 1 62 ? -11.147 0.583 8.812 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 12 -ATOM 18588 C C . GLY A 1 62 ? -10.363 -0.284 7.842 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 12 -ATOM 18589 O O . GLY A 1 62 ? -10.014 -1.434 8.144 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 12 -ATOM 18590 H H . GLY A 1 62 ? -11.878 2.286 7.747 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 12 -ATOM 18591 H HA2 . GLY A 1 62 ? -10.455 1.211 9.354 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 12 -ATOM 18592 H HA3 . GLY A 1 62 ? -11.661 -0.059 9.510 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 12 -ATOM 18593 N N . TYR A 1 63 ? -10.102 0.248 6.679 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 12 -ATOM 18594 C CA . TYR A 1 63 ? -9.315 -0.453 5.691 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 12 -ATOM 18595 C C . TYR A 1 63 ? -7.865 -0.064 5.809 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 12 -ATOM 18596 O O . TYR A 1 63 ? -7.541 1.002 6.331 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 12 -ATOM 18597 C CB . TYR A 1 63 ? -9.834 -0.210 4.272 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 12 -ATOM 18598 C CG . TYR A 1 63 ? -11.081 -0.997 3.921 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 12 -ATOM 18599 C CD1 . TYR A 1 63 ? -12.325 -0.648 4.422 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 12 -ATOM 18600 C CD2 . TYR A 1 63 ? -11.005 -2.087 3.068 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 12 -ATOM 18601 C CE1 . TYR A 1 63 ? -13.456 -1.366 4.085 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 12 -ATOM 18602 C CE2 . TYR A 1 63 ? -12.128 -2.811 2.727 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 12 -ATOM 18603 C CZ . TYR A 1 63 ? -13.350 -2.446 3.239 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 12 -ATOM 18604 O OH . TYR A 1 63 ? -14.477 -3.163 2.897 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 12 -ATOM 18605 H H . TYR A 1 63 ? -10.424 1.151 6.483 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 12 -ATOM 18606 H HA . TYR A 1 63 ? -9.396 -1.507 5.916 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 12 -ATOM 18607 H HB2 . TYR A 1 63 ? -10.065 0.839 4.159 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 12 -ATOM 18608 H HB3 . TYR A 1 63 ? -9.060 -0.474 3.565 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 12 -ATOM 18609 H HD1 . TYR A 1 63 ? -12.400 0.197 5.088 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 12 -ATOM 18610 H HD2 . TYR A 1 63 ? -10.042 -2.371 2.671 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 12 -ATOM 18611 H HE1 . TYR A 1 63 ? -14.418 -1.082 4.485 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 12 -ATOM 18612 H HE2 . TYR A 1 63 ? -12.047 -3.659 2.064 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 12 -ATOM 18613 H HH . TYR A 1 63 ? -15.165 -2.518 2.697 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 12 -ATOM 18614 N N . ARG A 1 64 ? -7.006 -0.930 5.356 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 12 -ATOM 18615 C CA . ARG A 1 64 ? -5.587 -0.719 5.410 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 12 -ATOM 18616 C C . ARG A 1 64 ? -4.998 -0.971 4.030 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 12 -ATOM 18617 O O . ARG A 1 64 ? -5.537 -1.761 3.246 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 12 -ATOM 18618 C CB . ARG A 1 64 ? -4.877 -1.656 6.423 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 12 -ATOM 18619 C CG . ARG A 1 64 ? -5.200 -1.493 7.928 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 12 -ATOM 18620 C CD . ARG A 1 64 ? -6.601 -1.970 8.310 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 12 -ATOM 18621 N NE . ARG A 1 64 ? -6.720 -2.178 9.758 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 12 -ATOM 18622 C CZ . ARG A 1 64 ? -7.526 -3.090 10.325 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 12 -ATOM 18623 N NH1 . ARG A 1 64 ? -8.637 -3.483 9.694 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 12 -ATOM 18624 N NH2 . ARG A 1 64 ? -7.291 -3.500 11.570 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 12 -ATOM 18625 H H . ARG A 1 64 ? -7.319 -1.752 4.914 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 12 -ATOM 18626 H HA . ARG A 1 64 ? -5.408 0.309 5.692 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 12 -ATOM 18627 H HB2 . ARG A 1 64 ? -5.131 -2.671 6.155 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 12 -ATOM 18628 H HB3 . ARG A 1 64 ? -3.812 -1.537 6.292 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 12 -ATOM 18629 H HG2 . ARG A 1 64 ? -4.482 -2.064 8.498 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 12 -ATOM 18630 H HG3 . ARG A 1 64 ? -5.099 -0.449 8.186 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 12 -ATOM 18631 H HD2 . ARG A 1 64 ? -7.323 -1.231 7.997 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 12 -ATOM 18632 H HD3 . ARG A 1 64 ? -6.802 -2.904 7.805 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 12 -ATOM 18633 H HE . ARG A 1 64 ? -6.046 -1.683 10.280 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 12 -ATOM 18634 H HH11 . ARG A 1 64 ? -8.895 -3.093 8.806 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 12 -ATOM 18635 H HH12 . ARG A 1 64 ? -9.254 -4.173 10.085 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 12 -ATOM 18636 H HH21 . ARG A 1 64 ? -6.531 -3.128 12.108 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 12 -ATOM 18637 H HH22 . ARG A 1 64 ? -7.809 -4.244 12.016 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 12 -ATOM 18638 N N . LEU A 1 65 ? -3.927 -0.318 3.736 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 12 -ATOM 18639 C CA . LEU A 1 65 ? -3.244 -0.496 2.483 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 12 -ATOM 18640 C C . LEU A 1 65 ? -1.784 -0.773 2.794 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 12 -ATOM 18641 O O . LEU A 1 65 ? -1.189 -0.063 3.596 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 12 -ATOM 18642 C CB . LEU A 1 65 ? -3.450 0.761 1.602 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 12 -ATOM 18643 C CG . LEU A 1 65 ? -2.917 0.733 0.155 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 12 -ATOM 18644 C CD1 . LEU A 1 65 ? -3.593 1.807 -0.658 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 12 -ATOM 18645 C CD2 . LEU A 1 65 ? -1.428 0.975 0.118 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 12 -ATOM 18646 H H . LEU A 1 65 ? -3.568 0.319 4.394 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 12 -ATOM 18647 H HA . LEU A 1 65 ? -3.663 -1.361 1.992 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 12 -ATOM 18648 H HB2 . LEU A 1 65 ? -4.512 0.957 1.556 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 12 -ATOM 18649 H HB3 . LEU A 1 65 ? -2.985 1.590 2.114 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 12 -ATOM 18650 H HG . LEU A 1 65 ? -3.123 -0.227 -0.295 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 12 -ATOM 18651 H HD11 . LEU A 1 65 ? -4.655 1.613 -0.686 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 12 -ATOM 18652 H HD12 . LEU A 1 65 ? -3.185 1.794 -1.659 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 12 -ATOM 18653 H HD13 . LEU A 1 65 ? -3.411 2.767 -0.200 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 12 -ATOM 18654 H HD21 . LEU A 1 65 ? -0.923 0.201 0.675 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 12 -ATOM 18655 H HD22 . LEU A 1 65 ? -1.225 1.937 0.567 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 12 -ATOM 18656 H HD23 . LEU A 1 65 ? -1.085 0.972 -0.907 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 12 -ATOM 18657 N N . VAL A 1 66 ? -1.228 -1.807 2.185 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 12 -ATOM 18658 C CA . VAL A 1 66 ? 0.135 -2.230 2.460 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 12 -ATOM 18659 C C . VAL A 1 66 ? 0.999 -2.132 1.208 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 12 -ATOM 18660 O O . VAL A 1 66 ? 0.681 -2.723 0.153 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 12 -ATOM 18661 C CB . VAL A 1 66 ? 0.170 -3.680 3.018 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 12 -ATOM 18662 C CG1 . VAL A 1 66 ? 1.599 -4.159 3.254 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 12 -ATOM 18663 C CG2 . VAL A 1 66 ? -0.630 -3.770 4.304 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 12 -ATOM 18664 H H . VAL A 1 66 ? -1.720 -2.308 1.496 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 12 -ATOM 18665 H HA . VAL A 1 66 ? 0.534 -1.564 3.212 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 12 -ATOM 18666 H HB . VAL A 1 66 ? -0.291 -4.331 2.289 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 12 -ATOM 18667 H HG11 . VAL A 1 66 ? 1.579 -5.154 3.675 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 12 -ATOM 18668 H HG12 . VAL A 1 66 ? 2.097 -3.490 3.941 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 12 -ATOM 18669 H HG13 . VAL A 1 66 ? 2.133 -4.178 2.315 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 12 -ATOM 18670 H HG21 . VAL A 1 66 ? -1.666 -3.535 4.111 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 12 -ATOM 18671 H HG22 . VAL A 1 66 ? -0.231 -3.067 5.021 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 12 -ATOM 18672 H HG23 . VAL A 1 66 ? -0.550 -4.769 4.702 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 12 -ATOM 18673 N N . TYR A 1 67 ? 2.076 -1.408 1.321 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 12 -ATOM 18674 C CA . TYR A 1 67 ? 2.974 -1.196 0.219 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 12 -ATOM 18675 C C . TYR A 1 67 ? 4.415 -1.305 0.666 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 12 -ATOM 18676 O O . TYR A 1 67 ? 4.711 -1.192 1.858 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 12 -ATOM 18677 C CB . TYR A 1 67 ? 2.716 0.173 -0.458 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 12 -ATOM 18678 C CG . TYR A 1 67 ? 2.826 1.397 0.441 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 12 -ATOM 18679 C CD1 . TYR A 1 67 ? 4.035 1.797 1.005 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 12 -ATOM 18680 C CD2 . TYR A 1 67 ? 1.715 2.150 0.711 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 12 -ATOM 18681 C CE1 . TYR A 1 67 ? 4.110 2.906 1.809 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 12 -ATOM 18682 C CE2 . TYR A 1 67 ? 1.780 3.255 1.510 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 12 -ATOM 18683 C CZ . TYR A 1 67 ? 2.980 3.632 2.061 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 12 -ATOM 18684 O OH . TYR A 1 67 ? 3.044 4.730 2.875 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 12 -ATOM 18685 H H . TYR A 1 67 ? 2.290 -1.008 2.196 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 12 -ATOM 18686 H HA . TYR A 1 67 ? 2.785 -1.973 -0.507 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 12 -ATOM 18687 H HB2 . TYR A 1 67 ? 3.391 0.314 -1.286 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 12 -ATOM 18688 H HB3 . TYR A 1 67 ? 1.709 0.157 -0.849 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 12 -ATOM 18689 H HD1 . TYR A 1 67 ? 4.925 1.219 0.802 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 12 -ATOM 18690 H HD2 . TYR A 1 67 ? 0.773 1.852 0.278 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 12 -ATOM 18691 H HE1 . TYR A 1 67 ? 5.055 3.204 2.240 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 12 -ATOM 18692 H HE2 . TYR A 1 67 ? 0.877 3.819 1.686 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 12 -ATOM 18693 H HH . TYR A 1 67 ? 3.840 5.221 2.657 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 12 -ATOM 18694 N N . GLN A 1 68 ? 5.286 -1.556 -0.264 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 12 -ATOM 18695 C CA . GLN A 1 68 ? 6.701 -1.548 -0.008 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 12 -ATOM 18696 C C . GLN A 1 68 ? 7.306 -0.383 -0.745 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 12 -ATOM 18697 O O . GLN A 1 68 ? 6.871 -0.060 -1.853 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 12 -ATOM 18698 C CB . GLN A 1 68 ? 7.391 -2.849 -0.450 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 12 -ATOM 18699 C CG . GLN A 1 68 ? 7.221 -3.185 -1.929 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 12 -ATOM 18700 C CD . GLN A 1 68 ? 8.110 -4.320 -2.403 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 12 -ATOM 18701 O OE1 . GLN A 1 68 ? 7.740 -5.082 -3.288 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 12 -ATOM 18702 N NE2 . GLN A 1 68 ? 9.313 -4.403 -1.881 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 12 -ATOM 18703 H H . GLN A 1 68 ? 4.971 -1.719 -1.185 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 12 -ATOM 18704 H HA . GLN A 1 68 ? 6.851 -1.399 1.051 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 12 -ATOM 18705 H HB2 . GLN A 1 68 ? 8.445 -2.756 -0.241 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 12 -ATOM 18706 H HB3 . GLN A 1 68 ? 6.992 -3.665 0.135 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 12 -ATOM 18707 H HG2 . GLN A 1 68 ? 6.191 -3.458 -2.108 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 12 -ATOM 18708 H HG3 . GLN A 1 68 ? 7.456 -2.299 -2.501 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 12 -ATOM 18709 H HE21 . GLN A 1 68 ? 9.601 -3.745 -1.215 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 12 -ATOM 18710 H HE22 . GLN A 1 68 ? 9.896 -5.125 -2.201 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 12 -ATOM 18711 N N . VAL A 1 69 ? 8.249 0.280 -0.160 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 12 -ATOM 18712 C CA . VAL A 1 69 ? 8.883 1.341 -0.876 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 12 -ATOM 18713 C C . VAL A 1 69 ? 10.196 0.849 -1.391 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 12 -ATOM 18714 O O . VAL A 1 69 ? 11.005 0.280 -0.654 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 12 -ATOM 18715 C CB . VAL A 1 69 ? 9.051 2.680 -0.077 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 12 -ATOM 18716 C CG1 . VAL A 1 69 ? 7.739 3.142 0.512 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 12 -ATOM 18717 C CG2 . VAL A 1 69 ? 10.163 2.633 0.975 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 12 -ATOM 18718 H H . VAL A 1 69 ? 8.557 0.031 0.739 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 12 -ATOM 18719 H HA . VAL A 1 69 ? 8.258 1.523 -1.739 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 12 -ATOM 18720 H HB . VAL A 1 69 ? 9.315 3.427 -0.814 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 12 -ATOM 18721 H HG11 . VAL A 1 69 ? 7.912 4.021 1.115 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 12 -ATOM 18722 H HG12 . VAL A 1 69 ? 7.321 2.353 1.120 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 12 -ATOM 18723 H HG13 . VAL A 1 69 ? 7.044 3.378 -0.280 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 12 -ATOM 18724 H HG21 . VAL A 1 69 ? 10.119 3.510 1.604 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 12 -ATOM 18725 H HG22 . VAL A 1 69 ? 11.112 2.628 0.458 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 12 -ATOM 18726 H HG23 . VAL A 1 69 ? 10.090 1.734 1.564 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 12 -ATOM 18727 N N . ILE A 1 70 ? 10.371 0.950 -2.648 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 12 -ATOM 18728 C CA . ILE A 1 70 ? 11.600 0.603 -3.211 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 12 -ATOM 18729 C C . ILE A 1 70 ? 12.329 1.900 -3.428 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 12 -ATOM 18730 O O . ILE A 1 70 ? 12.117 2.582 -4.431 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 12 -ATOM 18731 C CB . ILE A 1 70 ? 11.432 -0.158 -4.546 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 12 -ATOM 18732 C CG1 . ILE A 1 70 ? 10.447 -1.329 -4.368 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 12 -ATOM 18733 C CG2 . ILE A 1 70 ? 12.783 -0.683 -5.002 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 12 -ATOM 18734 C CD1 . ILE A 1 70 ? 10.127 -2.076 -5.646 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 12 -ATOM 18735 H H . ILE A 1 70 ? 9.658 1.293 -3.235 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 12 -ATOM 18736 H HA . ILE A 1 70 ? 12.146 -0.006 -2.505 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 12 -ATOM 18737 H HB . ILE A 1 70 ? 11.045 0.519 -5.293 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 12 -ATOM 18738 H HG12 . ILE A 1 70 ? 10.869 -2.040 -3.672 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 12 -ATOM 18739 H HG13 . ILE A 1 70 ? 9.523 -0.948 -3.961 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 12 -ATOM 18740 H HG21 . ILE A 1 70 ? 13.185 -1.349 -4.253 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 12 -ATOM 18741 H HG22 . ILE A 1 70 ? 13.460 0.146 -5.147 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 12 -ATOM 18742 H HG23 . ILE A 1 70 ? 12.662 -1.219 -5.932 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 12 -ATOM 18743 H HD11 . ILE A 1 70 ? 9.436 -2.879 -5.432 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 12 -ATOM 18744 H HD12 . ILE A 1 70 ? 11.039 -2.482 -6.058 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 12 -ATOM 18745 H HD13 . ILE A 1 70 ? 9.681 -1.396 -6.357 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 12 -ATOM 18746 N N . ASP A 1 71 ? 13.153 2.263 -2.475 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 12 -ATOM 18747 C CA . ASP A 1 71 ? 13.891 3.532 -2.516 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 12 -ATOM 18748 C C . ASP A 1 71 ? 14.962 3.458 -3.576 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 12 -ATOM 18749 O O . ASP A 1 71 ? 15.385 4.460 -4.143 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 12 -ATOM 18750 C CB . ASP A 1 71 ? 14.485 3.849 -1.136 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 12 -ATOM 18751 C CG . ASP A 1 71 ? 15.260 5.151 -1.088 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 12 -ATOM 18752 O OD1 . ASP A 1 71 ? 14.649 6.237 -1.200 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 12 -ATOM 18753 O OD2 . ASP A 1 71 ? 16.489 5.116 -0.883 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 12 -ATOM 18754 H H . ASP A 1 71 ? 13.274 1.660 -1.706 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 12 -ATOM 18755 H HA . ASP A 1 71 ? 13.194 4.309 -2.794 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 12 -ATOM 18756 H HB2 . ASP A 1 71 ? 13.683 3.915 -0.418 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 12 -ATOM 18757 H HB3 . ASP A 1 71 ? 15.148 3.045 -0.851 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 12 -ATOM 18758 N N . GLU A 1 72 ? 15.342 2.235 -3.874 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 12 -ATOM 18759 C CA . GLU A 1 72 ? 16.297 1.917 -4.916 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 12 -ATOM 18760 C C . GLU A 1 72 ? 15.750 2.348 -6.291 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 12 -ATOM 18761 O O . GLU A 1 72 ? 16.483 2.839 -7.133 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 12 -ATOM 18762 C CB . GLU A 1 72 ? 16.547 0.412 -4.905 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 12 -ATOM 18763 C CG . GLU A 1 72 ? 17.049 -0.115 -3.568 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 12 -ATOM 18764 C CD . GLU A 1 72 ? 17.131 -1.623 -3.515 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 12 -ATOM 18765 O OE1 . GLU A 1 72 ? 18.084 -2.197 -4.070 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 12 -ATOM 18766 O OE2 . GLU A 1 72 ? 16.259 -2.265 -2.867 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 12 -ATOM 18767 H H . GLU A 1 72 ? 14.970 1.508 -3.333 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 12 -ATOM 18768 H HA . GLU A 1 72 ? 17.224 2.430 -4.709 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 12 -ATOM 18769 H HB2 . GLU A 1 72 ? 15.621 -0.090 -5.138 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 12 -ATOM 18770 H HB3 . GLU A 1 72 ? 17.277 0.173 -5.662 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 12 -ATOM 18771 H HG2 . GLU A 1 72 ? 18.036 0.284 -3.386 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 12 -ATOM 18772 H HG3 . GLU A 1 72 ? 16.381 0.224 -2.791 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 12 -ATOM 18773 N N . LYS A 1 73 ? 14.445 2.199 -6.481 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 12 -ATOM 18774 C CA . LYS A 1 73 ? 13.808 2.538 -7.753 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 12 -ATOM 18775 C C . LYS A 1 73 ? 12.978 3.821 -7.640 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 12 -ATOM 18776 O O . LYS A 1 73 ? 12.428 4.300 -8.634 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 12 -ATOM 18777 C CB . LYS A 1 73 ? 12.914 1.391 -8.224 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 12 -ATOM 18778 C CG . LYS A 1 73 ? 13.634 0.099 -8.553 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 12 -ATOM 18779 C CD . LYS A 1 73 ? 12.636 -0.986 -8.931 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 12 -ATOM 18780 C CE . LYS A 1 73 ? 13.320 -2.301 -9.244 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 12 -ATOM 18781 N NZ . LYS A 1 73 ? 12.349 -3.364 -9.561 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 12 -ATOM 18782 H H . LYS A 1 73 ? 13.893 1.856 -5.749 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 12 -ATOM 18783 H HA . LYS A 1 73 ? 14.589 2.690 -8.483 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 12 -ATOM 18784 H HB2 . LYS A 1 73 ? 12.229 1.164 -7.420 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 12 -ATOM 18785 H HB3 . LYS A 1 73 ? 12.352 1.706 -9.090 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 12 -ATOM 18786 H HG2 . LYS A 1 73 ? 14.308 0.274 -9.380 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 12 -ATOM 18787 H HG3 . LYS A 1 73 ? 14.196 -0.219 -7.688 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 12 -ATOM 18788 H HD2 . LYS A 1 73 ? 11.953 -1.138 -8.108 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 12 -ATOM 18789 H HD3 . LYS A 1 73 ? 12.082 -0.660 -9.800 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 12 -ATOM 18790 H HE2 . LYS A 1 73 ? 13.978 -2.165 -10.090 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 12 -ATOM 18791 H HE3 . LYS A 1 73 ? 13.904 -2.609 -8.391 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 12 -ATOM 18792 H HZ1 . LYS A 1 73 ? 12.834 -4.263 -9.752 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 12 -ATOM 18793 H HZ2 . LYS A 1 73 ? 11.774 -3.109 -10.387 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 12 -ATOM 18794 H HZ3 . LYS A 1 73 ? 11.690 -3.520 -8.769 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 12 -ATOM 18795 N N . VAL A 1 74 ? 12.891 4.365 -6.418 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 12 -ATOM 18796 C CA . VAL A 1 74 ? 12.127 5.600 -6.115 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 12 -ATOM 18797 C C . VAL A 1 74 ? 10.602 5.359 -6.398 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 12 -ATOM 18798 O O . VAL A 1 74 ? 9.846 6.255 -6.774 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 12 -ATOM 18799 C CB . VAL A 1 74 ? 12.696 6.845 -6.923 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 12 -ATOM 18800 C CG1 . VAL A 1 74 ? 12.067 8.165 -6.471 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 12 -ATOM 18801 C CG2 . VAL A 1 74 ? 14.216 6.929 -6.789 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 12 -ATOM 18802 H H . VAL A 1 74 ? 13.358 3.920 -5.681 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 12 -ATOM 18803 H HA . VAL A 1 74 ? 12.236 5.773 -5.053 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 12 -ATOM 18804 H HB . VAL A 1 74 ? 12.457 6.700 -7.967 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 12 -ATOM 18805 H HG11 . VAL A 1 74 ? 12.269 8.322 -5.421 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 12 -ATOM 18806 H HG12 . VAL A 1 74 ? 11.000 8.126 -6.630 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 12 -ATOM 18807 H HG13 . VAL A 1 74 ? 12.488 8.979 -7.045 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 12 -ATOM 18808 H HG21 . VAL A 1 74 ? 14.662 6.026 -7.177 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 12 -ATOM 18809 H HG22 . VAL A 1 74 ? 14.477 7.042 -5.747 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 12 -ATOM 18810 H HG23 . VAL A 1 74 ? 14.581 7.781 -7.344 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 12 -ATOM 18811 N N . VAL A 1 75 ? 10.155 4.148 -6.133 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 12 -ATOM 18812 C CA . VAL A 1 75 ? 8.773 3.784 -6.385 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 12 -ATOM 18813 C C . VAL A 1 75 ? 8.168 3.078 -5.169 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 12 -ATOM 18814 O O . VAL A 1 75 ? 8.832 2.292 -4.486 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 12 -ATOM 18815 C CB . VAL A 1 75 ? 8.625 2.897 -7.678 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 12 -ATOM 18816 C CG1 . VAL A 1 75 ? 9.365 1.582 -7.553 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 12 -ATOM 18817 C CG2 . VAL A 1 75 ? 7.163 2.651 -8.036 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 12 -ATOM 18818 H H . VAL A 1 75 ? 10.757 3.489 -5.725 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 12 -ATOM 18819 H HA . VAL A 1 75 ? 8.216 4.700 -6.535 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 12 -ATOM 18820 H HB . VAL A 1 75 ? 9.083 3.440 -8.492 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 12 -ATOM 18821 H HG11 . VAL A 1 75 ? 9.263 1.018 -8.468 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 12 -ATOM 18822 H HG12 . VAL A 1 75 ? 8.954 1.020 -6.727 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 12 -ATOM 18823 H HG13 . VAL A 1 75 ? 10.407 1.792 -7.367 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 12 -ATOM 18824 H HG21 . VAL A 1 75 ? 7.107 2.048 -8.931 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 12 -ATOM 18825 H HG22 . VAL A 1 75 ? 6.658 3.590 -8.199 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 12 -ATOM 18826 H HG23 . VAL A 1 75 ? 6.684 2.126 -7.223 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 12 -ATOM 18827 N N . VAL A 1 76 ? 6.953 3.418 -4.882 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 12 -ATOM 18828 C CA . VAL A 1 76 ? 6.180 2.826 -3.838 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 12 -ATOM 18829 C C . VAL A 1 76 ? 5.288 1.784 -4.489 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 12 -ATOM 18830 O O . VAL A 1 76 ? 4.433 2.118 -5.308 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 12 -ATOM 18831 C CB . VAL A 1 76 ? 5.308 3.899 -3.143 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 12 -ATOM 18832 C CG1 . VAL A 1 76 ? 4.472 3.304 -2.040 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 12 -ATOM 18833 C CG2 . VAL A 1 76 ? 6.170 5.030 -2.607 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 12 -ATOM 18834 H H . VAL A 1 76 ? 6.511 4.111 -5.418 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 12 -ATOM 18835 H HA . VAL A 1 76 ? 6.838 2.365 -3.118 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 12 -ATOM 18836 H HB . VAL A 1 76 ? 4.644 4.313 -3.886 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 12 -ATOM 18837 H HG11 . VAL A 1 76 ? 5.116 2.852 -1.300 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 12 -ATOM 18838 H HG12 . VAL A 1 76 ? 3.816 2.554 -2.456 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 12 -ATOM 18839 H HG13 . VAL A 1 76 ? 3.882 4.081 -1.578 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 12 -ATOM 18840 H HG21 . VAL A 1 76 ? 6.683 5.503 -3.430 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 12 -ATOM 18841 H HG22 . VAL A 1 76 ? 6.896 4.639 -1.910 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 12 -ATOM 18842 H HG23 . VAL A 1 76 ? 5.545 5.757 -2.109 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 12 -ATOM 18843 N N . PHE A 1 77 ? 5.500 0.555 -4.153 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 12 -ATOM 18844 C CA . PHE A 1 77 ? 4.808 -0.542 -4.773 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 12 -ATOM 18845 C C . PHE A 1 77 ? 3.763 -1.111 -3.823 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 12 -ATOM 18846 O O . PHE A 1 77 ? 4.103 -1.695 -2.787 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 12 -ATOM 18847 C CB . PHE A 1 77 ? 5.847 -1.603 -5.171 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 12 -ATOM 18848 C CG . PHE A 1 77 ? 5.309 -2.831 -5.846 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 12 -ATOM 18849 C CD1 . PHE A 1 77 ? 4.903 -2.789 -7.164 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 12 -ATOM 18850 C CD2 . PHE A 1 77 ? 5.233 -4.035 -5.165 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 12 -ATOM 18851 C CE1 . PHE A 1 77 ? 4.430 -3.920 -7.790 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 12 -ATOM 18852 C CE2 . PHE A 1 77 ? 4.766 -5.169 -5.786 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 12 -ATOM 18853 C CZ . PHE A 1 77 ? 4.364 -5.112 -7.102 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 12 -ATOM 18854 H H . PHE A 1 77 ? 6.140 0.356 -3.431 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 12 -ATOM 18855 H HA . PHE A 1 77 ? 4.326 -0.180 -5.669 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 12 -ATOM 18856 H HB2 . PHE A 1 77 ? 6.560 -1.156 -5.845 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 12 -ATOM 18857 H HB3 . PHE A 1 77 ? 6.371 -1.914 -4.279 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 12 -ATOM 18858 H HD1 . PHE A 1 77 ? 4.955 -1.857 -7.707 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 12 -ATOM 18859 H HD2 . PHE A 1 77 ? 5.546 -4.081 -4.133 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 12 -ATOM 18860 H HE1 . PHE A 1 77 ? 4.114 -3.874 -8.821 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 12 -ATOM 18861 H HE2 . PHE A 1 77 ? 4.711 -6.102 -5.244 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 12 -ATOM 18862 H HZ . PHE A 1 77 ? 3.998 -5.999 -7.594 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 12 -ATOM 18863 N N . VAL A 1 78 ? 2.501 -0.905 -4.152 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 12 -ATOM 18864 C CA . VAL A 1 78 ? 1.404 -1.422 -3.355 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 12 -ATOM 18865 C C . VAL A 1 78 ? 1.270 -2.907 -3.614 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 12 -ATOM 18866 O O . VAL A 1 78 ? 1.086 -3.337 -4.762 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 12 -ATOM 18867 C CB . VAL A 1 78 ? 0.059 -0.700 -3.662 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 12 -ATOM 18868 C CG1 . VAL A 1 78 ? -1.081 -1.245 -2.794 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 12 -ATOM 18869 C CG2 . VAL A 1 78 ? 0.202 0.804 -3.465 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 12 -ATOM 18870 H H . VAL A 1 78 ? 2.304 -0.389 -4.966 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 12 -ATOM 18871 H HA . VAL A 1 78 ? 1.659 -1.280 -2.316 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 12 -ATOM 18872 H HB . VAL A 1 78 ? -0.190 -0.883 -4.697 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 12 -ATOM 18873 H HG11 . VAL A 1 78 ? -1.213 -2.299 -2.992 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 12 -ATOM 18874 H HG12 . VAL A 1 78 ? -2.001 -0.723 -3.018 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 12 -ATOM 18875 H HG13 . VAL A 1 78 ? -0.843 -1.107 -1.750 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 12 -ATOM 18876 H HG21 . VAL A 1 78 ? -0.741 1.285 -3.678 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 12 -ATOM 18877 H HG22 . VAL A 1 78 ? 0.959 1.186 -4.134 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 12 -ATOM 18878 H HG23 . VAL A 1 78 ? 0.489 1.009 -2.445 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 12 -ATOM 18879 N N . ILE A 1 79 ? 1.375 -3.681 -2.564 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 12 -ATOM 18880 C CA . ILE A 1 79 ? 1.352 -5.116 -2.681 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 12 -ATOM 18881 C C . ILE A 1 79 ? -0.054 -5.632 -2.431 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 12 -ATOM 18882 O O . ILE A 1 79 ? -0.548 -6.507 -3.138 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 12 -ATOM 18883 C CB . ILE A 1 79 ? 2.296 -5.764 -1.635 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 12 -ATOM 18884 C CG1 . ILE A 1 79 ? 3.693 -5.138 -1.710 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 12 -ATOM 18885 C CG2 . ILE A 1 79 ? 2.382 -7.277 -1.856 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 12 -ATOM 18886 C CD1 . ILE A 1 79 ? 4.627 -5.606 -0.616 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 12 -ATOM 18887 H H . ILE A 1 79 ? 1.464 -3.272 -1.675 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 12 -ATOM 18888 H HA . ILE A 1 79 ? 1.684 -5.399 -3.668 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 12 -ATOM 18889 H HB . ILE A 1 79 ? 1.886 -5.590 -0.651 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 12 -ATOM 18890 H HG12 . ILE A 1 79 ? 4.143 -5.387 -2.659 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 12 -ATOM 18891 H HG13 . ILE A 1 79 ? 3.602 -4.064 -1.636 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 12 -ATOM 18892 H HG21 . ILE A 1 79 ? 2.767 -7.474 -2.845 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 12 -ATOM 18893 H HG22 . ILE A 1 79 ? 1.399 -7.709 -1.755 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 12 -ATOM 18894 H HG23 . ILE A 1 79 ? 3.043 -7.705 -1.118 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 12 -ATOM 18895 H HD11 . ILE A 1 79 ? 4.728 -6.680 -0.671 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 12 -ATOM 18896 H HD12 . ILE A 1 79 ? 4.222 -5.329 0.347 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 12 -ATOM 18897 H HD13 . ILE A 1 79 ? 5.593 -5.144 -0.747 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 12 -ATOM 18898 N N . SER A 1 80 ? -0.705 -5.086 -1.434 1.00 0.00 ? ? ? ? ? ? 77 SER A N 12 -ATOM 18899 C CA . SER A 1 80 ? -2.019 -5.532 -1.057 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 12 -ATOM 18900 C C . SER A 1 80 ? -2.794 -4.388 -0.434 1.00 0.00 ? ? ? ? ? ? 77 SER A C 12 -ATOM 18901 O O . SER A 1 80 ? -2.208 -3.452 0.115 1.00 0.00 ? ? ? ? ? ? 77 SER A O 12 -ATOM 18902 C CB . SER A 1 80 ? -1.912 -6.707 -0.073 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 12 -ATOM 18903 O OG . SER A 1 80 ? -1.188 -7.784 -0.648 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 12 -ATOM 18904 H H . SER A 1 80 ? -0.316 -4.345 -0.920 1.00 0.00 ? ? ? ? ? ? 77 SER A H 12 -ATOM 18905 H HA . SER A 1 80 ? -2.534 -5.867 -1.945 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 12 -ATOM 18906 H HB2 . SER A 1 80 ? -1.398 -6.381 0.819 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 12 -ATOM 18907 H HB3 . SER A 1 80 ? -2.902 -7.051 0.188 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 12 -ATOM 18908 H HG . SER A 1 80 ? -0.938 -7.523 -1.544 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 12 -ATOM 18909 N N . VAL A 1 81 ? -4.084 -4.458 -0.526 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 12 -ATOM 18910 C CA . VAL A 1 81 ? -4.951 -3.444 -0.001 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 12 -ATOM 18911 C C . VAL A 1 81 ? -6.262 -4.102 0.427 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 12 -ATOM 18912 O O . VAL A 1 81 ? -6.727 -5.041 -0.228 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 12 -ATOM 18913 C CB . VAL A 1 81 ? -5.182 -2.303 -1.053 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 12 -ATOM 18914 C CG1 . VAL A 1 81 ? -5.816 -2.815 -2.333 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 12 -ATOM 18915 C CG2 . VAL A 1 81 ? -5.985 -1.161 -0.473 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 12 -ATOM 18916 H H . VAL A 1 81 ? -4.506 -5.237 -0.942 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 12 -ATOM 18917 H HA . VAL A 1 81 ? -4.471 -3.030 0.875 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 12 -ATOM 18918 H HB . VAL A 1 81 ? -4.206 -1.922 -1.323 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 12 -ATOM 18919 H HG11 . VAL A 1 81 ? -5.173 -3.559 -2.780 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 12 -ATOM 18920 H HG12 . VAL A 1 81 ? -5.949 -1.995 -3.024 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 12 -ATOM 18921 H HG13 . VAL A 1 81 ? -6.776 -3.256 -2.110 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 12 -ATOM 18922 H HG21 . VAL A 1 81 ? -5.452 -0.754 0.373 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 12 -ATOM 18923 H HG22 . VAL A 1 81 ? -6.958 -1.516 -0.167 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 12 -ATOM 18924 H HG23 . VAL A 1 81 ? -6.091 -0.394 -1.226 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 12 -ATOM 18925 N N . GLY A 1 82 ? -6.808 -3.682 1.539 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 12 -ATOM 18926 C CA . GLY A 1 82 ? -8.041 -4.248 2.007 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 12 -ATOM 18927 C C . GLY A 1 82 ? -8.097 -4.257 3.501 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 12 -ATOM 18928 O O . GLY A 1 82 ? -7.705 -3.293 4.144 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 12 -ATOM 18929 H H . GLY A 1 82 ? -6.374 -2.980 2.080 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 12 -ATOM 18930 H HA2 . GLY A 1 82 ? -8.873 -3.681 1.615 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 12 -ATOM 18931 H HA3 . GLY A 1 82 ? -8.104 -5.266 1.656 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 12 -ATOM 18932 N N . LYS A 1 83 ? -8.569 -5.316 4.070 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 12 -ATOM 18933 C CA . LYS A 1 83 ? -8.615 -5.398 5.500 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 12 -ATOM 18934 C C . LYS A 1 83 ? -7.437 -6.200 6.019 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 12 -ATOM 18935 O O . LYS A 1 83 ? -7.483 -7.421 6.084 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 12 -ATOM 18936 C CB . LYS A 1 83 ? -9.949 -5.969 5.991 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 12 -ATOM 18937 C CG . LYS A 1 83 ? -11.158 -5.153 5.541 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 12 -ATOM 18938 C CD . LYS A 1 83 ? -12.462 -5.665 6.141 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 12 -ATOM 18939 C CE . LYS A 1 83 ? -12.760 -7.107 5.751 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 12 -ATOM 18940 N NZ . LYS A 1 83 ? -14.029 -7.583 6.334 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 12 -ATOM 18941 H H . LYS A 1 83 ? -8.901 -6.064 3.528 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 12 -ATOM 18942 H HA . LYS A 1 83 ? -8.512 -4.387 5.869 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 12 -ATOM 18943 H HB2 . LYS A 1 83 ? -10.048 -6.972 5.608 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 12 -ATOM 18944 H HB3 . LYS A 1 83 ? -9.940 -6.000 7.071 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 12 -ATOM 18945 H HG2 . LYS A 1 83 ? -11.019 -4.126 5.842 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 12 -ATOM 18946 H HG3 . LYS A 1 83 ? -11.222 -5.200 4.464 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 12 -ATOM 18947 H HD2 . LYS A 1 83 ? -12.381 -5.610 7.216 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 12 -ATOM 18948 H HD3 . LYS A 1 83 ? -13.273 -5.032 5.811 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 12 -ATOM 18949 H HE2 . LYS A 1 83 ? -12.821 -7.173 4.675 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 12 -ATOM 18950 H HE3 . LYS A 1 83 ? -11.955 -7.733 6.103 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 12 -ATOM 18951 H HZ1 . LYS A 1 83 ? -14.201 -8.582 6.107 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 12 -ATOM 18952 H HZ2 . LYS A 1 83 ? -14.845 -7.036 6.000 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 12 -ATOM 18953 H HZ3 . LYS A 1 83 ? -14.016 -7.505 7.372 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 12 -ATOM 18954 N N . ALA A 1 84 ? -6.367 -5.507 6.313 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 12 -ATOM 18955 C CA . ALA A 1 84 ? -5.181 -6.120 6.862 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 12 -ATOM 18956 C C . ALA A 1 84 ? -5.318 -6.171 8.359 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 12 -ATOM 18957 O O . ALA A 1 84 ? -5.554 -5.144 8.988 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 12 -ATOM 18958 C CB . ALA A 1 84 ? -3.955 -5.309 6.488 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 12 -ATOM 18959 H H . ALA A 1 84 ? -6.376 -4.542 6.155 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 12 -ATOM 18960 H HA . ALA A 1 84 ? -5.081 -7.118 6.465 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 12 -ATOM 18961 H HB1 . ALA A 1 84 ? -3.883 -5.235 5.413 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 12 -ATOM 18962 H HB2 . ALA A 1 84 ? -3.073 -5.798 6.873 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 12 -ATOM 18963 H HB3 . ALA A 1 84 ? -4.030 -4.319 6.913 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 12 -ATOM 18964 N N . GLU A 1 85 ? -5.180 -7.326 8.932 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 12 -ATOM 18965 C CA . GLU A 1 85 ? -5.344 -7.449 10.358 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 12 -ATOM 18966 C C . GLU A 1 85 ? -4.231 -8.293 10.957 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 12 -ATOM 18967 O O . GLU A 1 85 ? -3.721 -7.981 12.038 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 12 -ATOM 18968 C CB . GLU A 1 85 ? -6.738 -8.020 10.686 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 12 -ATOM 18969 C CG . GLU A 1 85 ? -7.085 -8.103 12.175 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 12 -ATOM 18970 C CD . GLU A 1 85 ? -7.056 -6.760 12.890 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 12 -ATOM 18971 O OE1 . GLU A 1 85 ? -7.970 -5.927 12.665 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 12 -ATOM 18972 O OE2 . GLU A 1 85 ? -6.150 -6.534 13.722 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 12 -ATOM 18973 H H . GLU A 1 85 ? -4.947 -8.121 8.396 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 12 -ATOM 18974 H HA . GLU A 1 85 ? -5.272 -6.457 10.774 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 12 -ATOM 18975 H HB2 . GLU A 1 85 ? -7.481 -7.401 10.206 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 12 -ATOM 18976 H HB3 . GLU A 1 85 ? -6.799 -9.013 10.267 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 12 -ATOM 18977 H HG2 . GLU A 1 85 ? -8.083 -8.504 12.268 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 12 -ATOM 18978 H HG3 . GLU A 1 85 ? -6.386 -8.771 12.656 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 12 -ATOM 18979 N N . ALA A 1 86 ? -3.811 -9.322 10.251 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 12 -ATOM 18980 C CA . ALA A 1 86 ? -2.798 -10.195 10.791 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 12 -ATOM 18981 C C . ALA A 1 86 ? -1.863 -10.773 9.730 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 12 -ATOM 18982 O O . ALA A 1 86 ? -0.735 -10.304 9.574 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 12 -ATOM 18983 C CB . ALA A 1 86 ? -3.419 -11.295 11.652 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 12 -ATOM 18984 H H . ALA A 1 86 ? -4.158 -9.480 9.342 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 12 -ATOM 18985 H HA . ALA A 1 86 ? -2.193 -9.582 11.446 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 12 -ATOM 18986 H HB1 . ALA A 1 86 ? -4.046 -10.847 12.408 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 12 -ATOM 18987 H HB2 . ALA A 1 86 ? -2.640 -11.877 12.121 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 12 -ATOM 18988 H HB3 . ALA A 1 86 ? -4.018 -11.941 11.030 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 12 -ATOM 18989 N N . SER A 1 87 ? -2.306 -11.764 8.985 1.00 0.00 ? ? ? ? ? ? 84 SER A N 12 -ATOM 18990 C CA . SER A 1 87 ? -1.392 -12.439 8.084 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 12 -ATOM 18991 C C . SER A 1 87 ? -1.770 -12.317 6.598 1.00 0.00 ? ? ? ? ? ? 84 SER A C 12 -ATOM 18992 O O . SER A 1 87 ? -0.927 -12.558 5.745 1.00 0.00 ? ? ? ? ? ? 84 SER A O 12 -ATOM 18993 C CB . SER A 1 87 ? -1.239 -13.919 8.506 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 12 -ATOM 18994 O OG . SER A 1 87 ? -0.200 -14.575 7.787 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 12 -ATOM 18995 H H . SER A 1 87 ? -3.237 -12.071 9.062 1.00 0.00 ? ? ? ? ? ? 84 SER A H 12 -ATOM 18996 H HA . SER A 1 87 ? -0.428 -11.970 8.214 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 12 -ATOM 18997 H HB2 . SER A 1 87 ? -1.009 -13.970 9.559 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 12 -ATOM 18998 H HB3 . SER A 1 87 ? -2.169 -14.438 8.323 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 12 -ATOM 18999 H HG . SER A 1 87 ? -0.469 -14.680 6.865 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 12 -ATOM 19000 N N . GLU A 1 88 ? -2.982 -11.859 6.284 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 12 -ATOM 19001 C CA . GLU A 1 88 ? -3.475 -11.848 4.898 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 12 -ATOM 19002 C C . GLU A 1 88 ? -2.599 -11.047 3.940 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 12 -ATOM 19003 O O . GLU A 1 88 ? -2.395 -11.442 2.784 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 12 -ATOM 19004 C CB . GLU A 1 88 ? -4.951 -11.407 4.793 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 12 -ATOM 19005 C CG . GLU A 1 88 ? -5.327 -10.080 5.455 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 12 -ATOM 19006 C CD . GLU A 1 88 ? -5.301 -10.132 6.961 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 12 -ATOM 19007 O OE1 . GLU A 1 88 ? -6.217 -10.718 7.561 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 12 -ATOM 19008 O OE2 . GLU A 1 88 ? -4.357 -9.607 7.569 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 12 -ATOM 19009 H H . GLU A 1 88 ? -3.578 -11.486 6.968 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 12 -ATOM 19010 H HA . GLU A 1 88 ? -3.416 -12.873 4.563 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 12 -ATOM 19011 H HB2 . GLU A 1 88 ? -5.156 -11.295 3.743 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 12 -ATOM 19012 H HB3 . GLU A 1 88 ? -5.591 -12.185 5.176 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 12 -ATOM 19013 H HG2 . GLU A 1 88 ? -4.611 -9.340 5.132 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 12 -ATOM 19014 H HG3 . GLU A 1 88 ? -6.316 -9.794 5.128 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 12 -ATOM 19015 N N . VAL A 1 89 ? -2.075 -9.946 4.412 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 12 -ATOM 19016 C CA . VAL A 1 89 ? -1.219 -9.122 3.587 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 12 -ATOM 19017 C C . VAL A 1 89 ? 0.237 -9.589 3.651 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 12 -ATOM 19018 O O . VAL A 1 89 ? 0.962 -9.496 2.674 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 12 -ATOM 19019 C CB . VAL A 1 89 ? -1.341 -7.616 3.937 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 12 -ATOM 19020 C CG1 . VAL A 1 89 ? -2.743 -7.119 3.614 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 12 -ATOM 19021 C CG2 . VAL A 1 89 ? -1.014 -7.373 5.411 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 12 -ATOM 19022 H H . VAL A 1 89 ? -2.293 -9.691 5.332 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 12 -ATOM 19023 H HA . VAL A 1 89 ? -1.557 -9.264 2.570 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 12 -ATOM 19024 H HB . VAL A 1 89 ? -0.649 -7.055 3.326 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 12 -ATOM 19025 H HG11 . VAL A 1 89 ? -3.466 -7.653 4.213 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 12 -ATOM 19026 H HG12 . VAL A 1 89 ? -2.954 -7.288 2.568 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 12 -ATOM 19027 H HG13 . VAL A 1 89 ? -2.808 -6.064 3.825 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 12 -ATOM 19028 H HG21 . VAL A 1 89 ? -1.660 -7.984 6.024 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 12 -ATOM 19029 H HG22 . VAL A 1 89 ? -1.186 -6.337 5.660 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 12 -ATOM 19030 H HG23 . VAL A 1 89 ? 0.017 -7.632 5.602 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 12 -ATOM 19031 N N . TYR A 1 90 ? 0.636 -10.144 4.792 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 12 -ATOM 19032 C CA . TYR A 1 90 ? 2.001 -10.639 4.982 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 12 -ATOM 19033 C C . TYR A 1 90 ? 2.256 -11.837 4.110 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 12 -ATOM 19034 O O . TYR A 1 90 ? 3.266 -11.903 3.416 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 12 -ATOM 19035 C CB . TYR A 1 90 ? 2.268 -11.019 6.440 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 12 -ATOM 19036 C CG . TYR A 1 90 ? 2.523 -9.866 7.381 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 12 -ATOM 19037 C CD1 . TYR A 1 90 ? 1.506 -9.017 7.782 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 12 -ATOM 19038 C CD2 . TYR A 1 90 ? 3.797 -9.645 7.885 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 12 -ATOM 19039 C CE1 . TYR A 1 90 ? 1.751 -7.980 8.655 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 12 -ATOM 19040 C CE2 . TYR A 1 90 ? 4.049 -8.617 8.762 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 12 -ATOM 19041 C CZ . TYR A 1 90 ? 3.026 -7.788 9.143 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 12 -ATOM 19042 O OH . TYR A 1 90 ? 3.271 -6.775 10.030 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 12 -ATOM 19043 H H . TYR A 1 90 ? -0.014 -10.246 5.516 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 12 -ATOM 19044 H HA . TYR A 1 90 ? 2.680 -9.849 4.699 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 12 -ATOM 19045 H HB2 . TYR A 1 90 ? 1.414 -11.560 6.819 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 12 -ATOM 19046 H HB3 . TYR A 1 90 ? 3.128 -11.671 6.469 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 12 -ATOM 19047 H HD1 . TYR A 1 90 ? 0.509 -9.174 7.395 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 12 -ATOM 19048 H HD2 . TYR A 1 90 ? 4.601 -10.299 7.581 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 12 -ATOM 19049 H HE1 . TYR A 1 90 ? 0.945 -7.325 8.953 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 12 -ATOM 19050 H HE2 . TYR A 1 90 ? 5.048 -8.462 9.142 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 12 -ATOM 19051 H HH . TYR A 1 90 ? 2.612 -6.843 10.729 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 12 -ATOM 19052 N N . SER A 1 91 ? 1.323 -12.769 4.135 1.00 0.00 ? ? ? ? ? ? 88 SER A N 12 -ATOM 19053 C CA . SER A 1 91 ? 1.421 -13.985 3.374 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 12 -ATOM 19054 C C . SER A 1 91 ? 1.536 -13.695 1.883 1.00 0.00 ? ? ? ? ? ? 88 SER A C 12 -ATOM 19055 O O . SER A 1 91 ? 2.367 -14.288 1.191 1.00 0.00 ? ? ? ? ? ? 88 SER A O 12 -ATOM 19056 C CB . SER A 1 91 ? 0.215 -14.863 3.664 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 12 -ATOM 19057 O OG . SER A 1 91 ? 0.127 -15.168 5.061 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 12 -ATOM 19058 H H . SER A 1 91 ? 0.528 -12.654 4.703 1.00 0.00 ? ? ? ? ? ? 88 SER A H 12 -ATOM 19059 H HA . SER A 1 91 ? 2.309 -14.507 3.695 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 12 -ATOM 19060 H HB2 . SER A 1 91 ? -0.679 -14.336 3.367 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 12 -ATOM 19061 H HB3 . SER A 1 91 ? 0.292 -15.783 3.104 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 12 -ATOM 19062 H HG . SER A 1 91 ? 1.025 -15.146 5.420 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 12 -ATOM 19063 N N . GLU A 1 92 ? 0.761 -12.745 1.408 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 12 -ATOM 19064 C CA . GLU A 1 92 ? 0.779 -12.425 0.012 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 12 -ATOM 19065 C C . GLU A 1 92 ? 2.102 -11.744 -0.327 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 12 -ATOM 19066 O O . GLU A 1 92 ? 2.742 -12.080 -1.307 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 12 -ATOM 19067 C CB . GLU A 1 92 ? -0.403 -11.529 -0.346 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 12 -ATOM 19068 C CG . GLU A 1 92 ? -0.860 -11.678 -1.790 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 12 -ATOM 19069 C CD . GLU A 1 92 ? -1.392 -13.075 -2.065 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 12 -ATOM 19070 O OE1 . GLU A 1 92 ? -2.574 -13.346 -1.733 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 12 -ATOM 19071 O OE2 . GLU A 1 92 ? -0.649 -13.933 -2.599 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 12 -ATOM 19072 H H . GLU A 1 92 ? 0.165 -12.254 2.010 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 12 -ATOM 19073 H HA . GLU A 1 92 ? 0.710 -13.347 -0.546 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 12 -ATOM 19074 H HB2 . GLU A 1 92 ? -1.228 -11.776 0.304 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 12 -ATOM 19075 H HB3 . GLU A 1 92 ? -0.121 -10.501 -0.181 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 12 -ATOM 19076 H HG2 . GLU A 1 92 ? -1.641 -10.960 -1.991 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 12 -ATOM 19077 H HG3 . GLU A 1 92 ? -0.020 -11.492 -2.442 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 12 -ATOM 19078 N N . ALA A 1 93 ? 2.536 -10.842 0.549 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 12 -ATOM 19079 C CA . ALA A 1 93 ? 3.775 -10.100 0.358 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 12 -ATOM 19080 C C . ALA A 1 93 ? 4.998 -11.016 0.344 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 12 -ATOM 19081 O O . ALA A 1 93 ? 5.826 -10.929 -0.565 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 12 -ATOM 19082 C CB . ALA A 1 93 ? 3.927 -9.022 1.419 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 12 -ATOM 19083 H H . ALA A 1 93 ? 2.000 -10.657 1.351 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 12 -ATOM 19084 H HA . ALA A 1 93 ? 3.713 -9.616 -0.605 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 12 -ATOM 19085 H HB1 . ALA A 1 93 ? 4.033 -9.489 2.387 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 12 -ATOM 19086 H HB2 . ALA A 1 93 ? 3.051 -8.391 1.419 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 12 -ATOM 19087 H HB3 . ALA A 1 93 ? 4.804 -8.428 1.209 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 12 -ATOM 19088 N N . VAL A 1 94 ? 5.091 -11.920 1.320 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 12 -ATOM 19089 C CA . VAL A 1 94 ? 6.240 -12.819 1.419 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 12 -ATOM 19090 C C . VAL A 1 94 ? 6.311 -13.776 0.212 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 12 -ATOM 19091 O O . VAL A 1 94 ? 7.396 -14.160 -0.226 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 12 -ATOM 19092 C CB . VAL A 1 94 ? 6.290 -13.598 2.784 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 12 -ATOM 19093 C CG1 . VAL A 1 94 ? 5.121 -14.553 2.959 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 12 -ATOM 19094 C CG2 . VAL A 1 94 ? 7.611 -14.328 2.954 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 12 -ATOM 19095 H H . VAL A 1 94 ? 4.378 -11.962 1.997 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 12 -ATOM 19096 H HA . VAL A 1 94 ? 7.110 -12.182 1.354 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 12 -ATOM 19097 H HB . VAL A 1 94 ? 6.213 -12.864 3.573 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 12 -ATOM 19098 H HG11 . VAL A 1 94 ? 5.199 -15.054 3.911 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 12 -ATOM 19099 H HG12 . VAL A 1 94 ? 5.132 -15.282 2.163 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 12 -ATOM 19100 H HG13 . VAL A 1 94 ? 4.199 -13.992 2.919 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 12 -ATOM 19101 H HG21 . VAL A 1 94 ? 7.724 -15.033 2.143 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 12 -ATOM 19102 H HG22 . VAL A 1 94 ? 7.613 -14.860 3.895 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 12 -ATOM 19103 H HG23 . VAL A 1 94 ? 8.427 -13.621 2.935 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 12 -ATOM 19104 N N . LYS A 1 95 ? 5.164 -14.151 -0.323 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 12 -ATOM 19105 C CA . LYS A 1 95 ? 5.136 -14.969 -1.519 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 12 -ATOM 19106 C C . LYS A 1 95 ? 5.416 -14.136 -2.774 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 12 -ATOM 19107 O O . LYS A 1 95 ? 6.033 -14.624 -3.730 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 12 -ATOM 19108 C CB . LYS A 1 95 ? 3.811 -15.739 -1.663 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 12 -ATOM 19109 C CG . LYS A 1 95 ? 3.893 -17.238 -1.319 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 12 -ATOM 19110 C CD . LYS A 1 95 ? 4.173 -17.526 0.156 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 12 -ATOM 19111 C CE . LYS A 1 95 ? 2.989 -17.190 1.064 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 12 -ATOM 19112 N NZ . LYS A 1 95 ? 1.763 -17.958 0.729 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 12 -ATOM 19113 H H . LYS A 1 95 ? 4.320 -13.867 0.094 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 12 -ATOM 19114 H HA . LYS A 1 95 ? 5.938 -15.684 -1.419 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 12 -ATOM 19115 H HB2 . LYS A 1 95 ? 3.080 -15.284 -1.011 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 12 -ATOM 19116 H HB3 . LYS A 1 95 ? 3.468 -15.642 -2.682 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 12 -ATOM 19117 H HG2 . LYS A 1 95 ? 2.956 -17.705 -1.579 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 12 -ATOM 19118 H HG3 . LYS A 1 95 ? 4.681 -17.674 -1.917 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 12 -ATOM 19119 H HD2 . LYS A 1 95 ? 4.401 -18.575 0.271 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 12 -ATOM 19120 H HD3 . LYS A 1 95 ? 5.029 -16.943 0.464 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 12 -ATOM 19121 H HE2 . LYS A 1 95 ? 3.264 -17.411 2.084 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 12 -ATOM 19122 H HE3 . LYS A 1 95 ? 2.778 -16.134 0.981 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 12 -ATOM 19123 H HZ1 . LYS A 1 95 ? 1.019 -17.785 1.436 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 12 -ATOM 19124 H HZ2 . LYS A 1 95 ? 1.962 -18.979 0.740 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 12 -ATOM 19125 H HZ3 . LYS A 1 95 ? 1.392 -17.695 -0.207 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 12 -ATOM 19126 N N . ARG A 1 96 ? 4.993 -12.882 -2.750 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 12 -ATOM 19127 C CA . ARG A 1 96 ? 5.085 -12.005 -3.902 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 12 -ATOM 19128 C C . ARG A 1 96 ? 6.512 -11.542 -4.117 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 12 -ATOM 19129 O O . ARG A 1 96 ? 7.024 -11.572 -5.241 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 12 -ATOM 19130 C CB . ARG A 1 96 ? 4.169 -10.783 -3.722 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 12 -ATOM 19131 C CG . ARG A 1 96 ? 3.627 -10.204 -5.021 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 12 -ATOM 19132 C CD . ARG A 1 96 ? 2.667 -11.195 -5.659 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 12 -ATOM 19133 N NE . ARG A 1 96 ? 2.079 -10.721 -6.905 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 12 -ATOM 19134 C CZ . ARG A 1 96 ? 1.389 -11.490 -7.757 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 12 -ATOM 19135 N NH1 . ARG A 1 96 ? 1.187 -12.784 -7.496 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 12 -ATOM 19136 N NH2 . ARG A 1 96 ? 0.863 -10.954 -8.835 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 12 -ATOM 19137 H H . ARG A 1 96 ? 4.586 -12.529 -1.928 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 12 -ATOM 19138 H HA . ARG A 1 96 ? 4.769 -12.548 -4.775 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 12 -ATOM 19139 H HB2 . ARG A 1 96 ? 3.330 -11.067 -3.103 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 12 -ATOM 19140 H HB3 . ARG A 1 96 ? 4.723 -10.010 -3.211 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 12 -ATOM 19141 H HG2 . ARG A 1 96 ? 3.105 -9.280 -4.816 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 12 -ATOM 19142 H HG3 . ARG A 1 96 ? 4.448 -10.022 -5.698 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 12 -ATOM 19143 H HD2 . ARG A 1 96 ? 3.193 -12.113 -5.868 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 12 -ATOM 19144 H HD3 . ARG A 1 96 ? 1.872 -11.398 -4.958 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 12 -ATOM 19145 H HE . ARG A 1 96 ? 2.189 -9.757 -7.107 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 12 -ATOM 19146 H HH11 . ARG A 1 96 ? 1.542 -13.207 -6.654 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 12 -ATOM 19147 H HH12 . ARG A 1 96 ? 0.682 -13.398 -8.106 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 12 -ATOM 19148 H HH21 . ARG A 1 96 ? 0.976 -9.967 -9.001 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 12 -ATOM 19149 H HH22 . ARG A 1 96 ? 0.350 -11.479 -9.516 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 12 -ATOM 19150 N N . ILE A 1 97 ? 7.150 -11.134 -3.053 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 12 -ATOM 19151 C CA . ILE A 1 97 ? 8.496 -10.614 -3.122 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 12 -ATOM 19152 C C . ILE A 1 97 ? 9.498 -11.753 -3.036 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 12 -ATOM 19153 O O . ILE A 1 97 ? 9.959 -12.120 -1.943 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 12 -ATOM 19154 C CB . ILE A 1 97 ? 8.764 -9.590 -1.996 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 12 -ATOM 19155 C CG1 . ILE A 1 97 ? 7.663 -8.531 -1.993 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 12 -ATOM 19156 C CG2 . ILE A 1 97 ? 10.132 -8.922 -2.197 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 12 -ATOM 19157 C CD1 . ILE A 1 97 ? 7.675 -7.652 -0.775 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 12 -ATOM 19158 H H . ILE A 1 97 ? 6.709 -11.184 -2.175 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 12 -ATOM 19159 H HA . ILE A 1 97 ? 8.611 -10.119 -4.076 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 12 -ATOM 19160 H HB . ILE A 1 97 ? 8.759 -10.104 -1.046 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 12 -ATOM 19161 H HG12 . ILE A 1 97 ? 7.783 -7.898 -2.858 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 12 -ATOM 19162 H HG13 . ILE A 1 97 ? 6.702 -9.022 -2.042 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 12 -ATOM 19163 H HG21 . ILE A 1 97 ? 10.908 -9.673 -2.180 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 12 -ATOM 19164 H HG22 . ILE A 1 97 ? 10.306 -8.207 -1.407 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 12 -ATOM 19165 H HG23 . ILE A 1 97 ? 10.146 -8.414 -3.150 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 12 -ATOM 19166 H HD11 . ILE A 1 97 ? 7.515 -8.272 0.095 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 12 -ATOM 19167 H HD12 . ILE A 1 97 ? 6.875 -6.932 -0.861 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 12 -ATOM 19168 H HD13 . ILE A 1 97 ? 8.628 -7.149 -0.698 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 12 -ATOM 19169 N N . LEU A 1 98 ? 9.745 -12.355 -4.177 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 12 -ATOM 19170 C CA . LEU A 1 98 ? 10.690 -13.432 -4.342 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 12 -ATOM 19171 C C . LEU A 1 98 ? 10.680 -13.810 -5.811 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 12 -ATOM 19172 O O . LEU A 1 98 ? 10.176 -14.894 -6.174 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 12 -ATOM 19173 C CB . LEU A 1 98 ? 10.305 -14.650 -3.475 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 12 -ATOM 19174 C CG . LEU A 1 98 ? 11.324 -15.790 -3.404 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 12 -ATOM 19175 C CD1 . LEU A 1 98 ? 12.642 -15.305 -2.820 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 12 -ATOM 19176 C CD2 . LEU A 1 98 ? 10.769 -16.933 -2.585 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 12 -ATOM 19177 O OXT . LEU A 1 98 ? 11.079 -12.972 -6.631 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 12 -ATOM 19178 H H . LEU A 1 98 ? 9.263 -12.055 -4.978 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 12 -ATOM 19179 H HA . LEU A 1 98 ? 11.670 -13.072 -4.066 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 12 -ATOM 19180 H HB2 . LEU A 1 98 ? 10.121 -14.299 -2.471 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 12 -ATOM 19181 H HB3 . LEU A 1 98 ? 9.379 -15.050 -3.862 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 12 -ATOM 19182 H HG . LEU A 1 98 ? 11.516 -16.150 -4.402 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 12 -ATOM 19183 H HD11 . LEU A 1 98 ? 13.066 -14.540 -3.454 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 12 -ATOM 19184 H HD12 . LEU A 1 98 ? 13.332 -16.133 -2.748 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 12 -ATOM 19185 H HD13 . LEU A 1 98 ? 12.465 -14.898 -1.836 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 12 -ATOM 19186 H HD21 . LEU A 1 98 ? 9.878 -17.315 -3.058 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 12 -ATOM 19187 H HD22 . LEU A 1 98 ? 10.526 -16.578 -1.593 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 12 -ATOM 19188 H HD23 . LEU A 1 98 ? 11.505 -17.719 -2.519 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 12 -ATOM 19189 N N . MET A 1 4 ? 10.618 15.850 -1.574 1.00 0.00 ? ? ? ? ? ? 1 MET A N 13 -ATOM 19190 C CA . MET A 1 4 ? 10.906 14.620 -2.298 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 13 -ATOM 19191 C C . MET A 1 4 ? 9.592 13.959 -2.636 1.00 0.00 ? ? ? ? ? ? 1 MET A C 13 -ATOM 19192 O O . MET A 1 4 ? 8.607 14.152 -1.924 1.00 0.00 ? ? ? ? ? ? 1 MET A O 13 -ATOM 19193 C CB . MET A 1 4 ? 11.755 13.672 -1.430 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 13 -ATOM 19194 C CG . MET A 1 4 ? 12.277 12.458 -2.178 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 13 -ATOM 19195 S SD . MET A 1 4 ? 13.238 11.341 -1.149 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 13 -ATOM 19196 C CE . MET A 1 4 ? 13.762 10.138 -2.373 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 13 -ATOM 19197 H H . MET A 1 4 ? 10.054 16.492 -2.164 1.00 0.00 ? ? ? ? ? ? 1 MET A H 13 -ATOM 19198 H HA . MET A 1 4 ? 11.432 14.854 -3.209 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 13 -ATOM 19199 H HB2 . MET A 1 4 ? 12.602 14.208 -1.030 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 13 -ATOM 19200 H HB3 . MET A 1 4 ? 11.145 13.321 -0.610 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 13 -ATOM 19201 H HG2 . MET A 1 4 ? 11.437 11.913 -2.582 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 13 -ATOM 19202 H HG3 . MET A 1 4 ? 12.899 12.805 -2.988 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 13 -ATOM 19203 H HE1 . MET A 1 4 ? 14.355 10.624 -3.132 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 13 -ATOM 19204 H HE2 . MET A 1 4 ? 12.893 9.688 -2.830 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 13 -ATOM 19205 H HE3 . MET A 1 4 ? 14.351 9.374 -1.888 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 13 -ATOM 19206 N N . ALA A 1 5 ? 9.550 13.235 -3.727 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 13 -ATOM 19207 C CA . ALA A 1 5 ? 8.371 12.505 -4.116 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 13 -ATOM 19208 C C . ALA A 1 5 ? 8.784 11.179 -4.692 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 13 -ATOM 19209 O O . ALA A 1 5 ? 9.911 11.029 -5.173 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 13 -ATOM 19210 C CB . ALA A 1 5 ? 7.556 13.283 -5.129 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 13 -ATOM 19211 H H . ALA A 1 5 ? 10.332 13.172 -4.319 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 13 -ATOM 19212 H HA . ALA A 1 5 ? 7.770 12.338 -3.234 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 13 -ATOM 19213 H HB1 . ALA A 1 5 ? 7.276 14.239 -4.714 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 13 -ATOM 19214 H HB2 . ALA A 1 5 ? 6.663 12.721 -5.364 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 13 -ATOM 19215 H HB3 . ALA A 1 5 ? 8.137 13.431 -6.029 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 13 -ATOM 19216 N N . TYR A 1 6 ? 7.913 10.226 -4.615 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 13 -ATOM 19217 C CA . TYR A 1 6 ? 8.168 8.906 -5.142 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 13 -ATOM 19218 C C . TYR A 1 6 ? 7.121 8.589 -6.194 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 13 -ATOM 19219 O O . TYR A 1 6 ? 6.199 9.385 -6.423 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 13 -ATOM 19220 C CB . TYR A 1 6 ? 8.100 7.834 -4.031 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 13 -ATOM 19221 C CG . TYR A 1 6 ? 9.194 7.863 -2.962 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 13 -ATOM 19222 C CD1 . TYR A 1 6 ? 9.434 8.991 -2.184 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 13 -ATOM 19223 C CD2 . TYR A 1 6 ? 9.965 6.734 -2.718 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 13 -ATOM 19224 C CE1 . TYR A 1 6 ? 10.406 8.992 -1.202 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 13 -ATOM 19225 C CE2 . TYR A 1 6 ? 10.931 6.724 -1.731 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 13 -ATOM 19226 C CZ . TYR A 1 6 ? 11.145 7.853 -0.975 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 13 -ATOM 19227 O OH . TYR A 1 6 ? 12.100 7.842 0.017 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 13 -ATOM 19228 H H . TYR A 1 6 ? 7.043 10.403 -4.201 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 13 -ATOM 19229 H HA . TYR A 1 6 ? 9.150 8.895 -5.590 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 13 -ATOM 19230 H HB2 . TYR A 1 6 ? 7.155 7.909 -3.518 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 13 -ATOM 19231 H HB3 . TYR A 1 6 ? 8.138 6.866 -4.511 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 13 -ATOM 19232 H HD1 . TYR A 1 6 ? 8.851 9.881 -2.365 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 13 -ATOM 19233 H HD2 . TYR A 1 6 ? 9.795 5.847 -3.310 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 13 -ATOM 19234 H HE1 . TYR A 1 6 ? 10.572 9.880 -0.610 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 13 -ATOM 19235 H HE2 . TYR A 1 6 ? 11.517 5.833 -1.561 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 13 -ATOM 19236 H HH . TYR A 1 6 ? 12.711 7.102 -0.147 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 13 -ATOM 19237 N N . PHE A 1 7 ? 7.273 7.460 -6.825 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 13 -ATOM 19238 C CA . PHE A 1 7 ? 6.309 6.959 -7.782 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 13 -ATOM 19239 C C . PHE A 1 7 ? 5.356 6.032 -7.049 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 13 -ATOM 19240 O O . PHE A 1 7 ? 5.686 5.553 -5.979 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 13 -ATOM 19241 C CB . PHE A 1 7 ? 7.026 6.183 -8.894 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 13 -ATOM 19242 C CG . PHE A 1 7 ? 7.952 7.016 -9.724 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 13 -ATOM 19243 C CD1 . PHE A 1 7 ? 9.277 7.186 -9.356 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 13 -ATOM 19244 C CD2 . PHE A 1 7 ? 7.499 7.630 -10.872 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 13 -ATOM 19245 C CE1 . PHE A 1 7 ? 10.127 7.952 -10.114 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 13 -ATOM 19246 C CE2 . PHE A 1 7 ? 8.344 8.395 -11.637 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 13 -ATOM 19247 C CZ . PHE A 1 7 ? 9.663 8.557 -11.256 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 13 -ATOM 19248 H H . PHE A 1 7 ? 8.081 6.928 -6.645 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 13 -ATOM 19249 H HA . PHE A 1 7 ? 5.767 7.791 -8.207 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 13 -ATOM 19250 H HB2 . PHE A 1 7 ? 7.625 5.409 -8.437 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 13 -ATOM 19251 H HB3 . PHE A 1 7 ? 6.302 5.721 -9.546 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 13 -ATOM 19252 H HD1 . PHE A 1 7 ? 9.643 6.709 -8.458 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 13 -ATOM 19253 H HD2 . PHE A 1 7 ? 6.468 7.504 -11.168 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 13 -ATOM 19254 H HE1 . PHE A 1 7 ? 11.156 8.076 -9.811 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 13 -ATOM 19255 H HE2 . PHE A 1 7 ? 7.970 8.868 -12.532 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 13 -ATOM 19256 H HZ . PHE A 1 7 ? 10.331 9.159 -11.855 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 13 -ATOM 19257 N N . LEU A 1 8 ? 4.198 5.797 -7.591 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 13 -ATOM 19258 C CA . LEU A 1 8 ? 3.247 4.892 -6.967 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 13 -ATOM 19259 C C . LEU A 1 8 ? 2.854 3.845 -8.008 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 13 -ATOM 19260 O O . LEU A 1 8 ? 2.545 4.203 -9.158 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 13 -ATOM 19261 C CB . LEU A 1 8 ? 2.003 5.698 -6.493 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 13 -ATOM 19262 C CG . LEU A 1 8 ? 1.074 5.081 -5.400 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 13 -ATOM 19263 C CD1 . LEU A 1 8 ? 0.433 3.777 -5.821 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 13 -ATOM 19264 C CD2 . LEU A 1 8 ? 1.814 4.904 -4.096 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 13 -ATOM 19265 H H . LEU A 1 8 ? 3.960 6.233 -8.438 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 13 -ATOM 19266 H HA . LEU A 1 8 ? 3.722 4.415 -6.123 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 13 -ATOM 19267 H HB2 . LEU A 1 8 ? 2.348 6.652 -6.126 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 13 -ATOM 19268 H HB3 . LEU A 1 8 ? 1.400 5.887 -7.369 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 13 -ATOM 19269 H HG . LEU A 1 8 ? 0.267 5.776 -5.220 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 13 -ATOM 19270 H HD11 . LEU A 1 8 ? 1.207 3.090 -6.132 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 13 -ATOM 19271 H HD12 . LEU A 1 8 ? -0.270 3.941 -6.625 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 13 -ATOM 19272 H HD13 . LEU A 1 8 ? -0.076 3.356 -4.966 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 13 -ATOM 19273 H HD21 . LEU A 1 8 ? 2.194 5.855 -3.755 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 13 -ATOM 19274 H HD22 . LEU A 1 8 ? 2.626 4.208 -4.239 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 13 -ATOM 19275 H HD23 . LEU A 1 8 ? 1.137 4.502 -3.358 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 13 -ATOM 19276 N N . ASP A 1 9 ? 2.900 2.579 -7.651 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 13 -ATOM 19277 C CA . ASP A 1 9 ? 2.462 1.524 -8.559 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 13 -ATOM 19278 C C . ASP A 1 9 ? 1.813 0.400 -7.757 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 13 -ATOM 19279 O O . ASP A 1 9 ? 2.045 0.295 -6.553 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 13 -ATOM 19280 C CB . ASP A 1 9 ? 3.621 1.012 -9.429 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 13 -ATOM 19281 C CG . ASP A 1 9 ? 3.127 0.242 -10.630 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 13 -ATOM 19282 O OD1 . ASP A 1 9 ? 2.322 0.805 -11.406 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 13 -ATOM 19283 O OD2 . ASP A 1 9 ? 3.544 -0.908 -10.854 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 13 -ATOM 19284 H H . ASP A 1 9 ? 3.227 2.332 -6.755 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 13 -ATOM 19285 H HA . ASP A 1 9 ? 1.698 1.953 -9.190 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 13 -ATOM 19286 H HB2 . ASP A 1 9 ? 4.202 1.853 -9.776 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 13 -ATOM 19287 H HB3 . ASP A 1 9 ? 4.251 0.364 -8.838 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 13 -ATOM 19288 N N . PHE A 1 10 ? 0.987 -0.408 -8.392 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 13 -ATOM 19289 C CA . PHE A 1 10 ? 0.242 -1.444 -7.685 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 13 -ATOM 19290 C C . PHE A 1 10 ? 0.602 -2.845 -8.178 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 13 -ATOM 19291 O O . PHE A 1 10 ? 0.854 -3.057 -9.377 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 13 -ATOM 19292 C CB . PHE A 1 10 ? -1.268 -1.252 -7.882 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 13 -ATOM 19293 C CG . PHE A 1 10 ? -1.849 0.057 -7.410 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 13 -ATOM 19294 C CD1 . PHE A 1 10 ? -1.851 1.173 -8.235 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 13 -ATOM 19295 C CD2 . PHE A 1 10 ? -2.415 0.162 -6.154 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 13 -ATOM 19296 C CE1 . PHE A 1 10 ? -2.401 2.365 -7.810 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 13 -ATOM 19297 C CE2 . PHE A 1 10 ? -2.971 1.350 -5.725 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 13 -ATOM 19298 C CZ . PHE A 1 10 ? -2.963 2.453 -6.554 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 13 -ATOM 19299 H H . PHE A 1 10 ? 0.874 -0.333 -9.364 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 13 -ATOM 19300 H HA . PHE A 1 10 ? 0.457 -1.363 -6.630 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 13 -ATOM 19301 H HB2 . PHE A 1 10 ? -1.485 -1.328 -8.938 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 13 -ATOM 19302 H HB3 . PHE A 1 10 ? -1.782 -2.052 -7.369 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 13 -ATOM 19303 H HD1 . PHE A 1 10 ? -1.411 1.107 -9.220 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 13 -ATOM 19304 H HD2 . PHE A 1 10 ? -2.420 -0.698 -5.502 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 13 -ATOM 19305 H HE1 . PHE A 1 10 ? -2.394 3.228 -8.460 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 13 -ATOM 19306 H HE2 . PHE A 1 10 ? -3.408 1.416 -4.740 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 13 -ATOM 19307 H HZ . PHE A 1 10 ? -3.400 3.382 -6.217 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 13 -ATOM 19308 N N . ASP A 1 11 ? 0.618 -3.783 -7.253 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 13 -ATOM 19309 C CA . ASP A 1 11 ? 0.805 -5.209 -7.535 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 13 -ATOM 19310 C C . ASP A 1 11 ? -0.510 -5.776 -8.019 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 13 -ATOM 19311 O O . ASP A 1 11 ? -1.557 -5.188 -7.736 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 13 -ATOM 19312 C CB . ASP A 1 11 ? 1.235 -5.974 -6.270 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 13 -ATOM 19313 C CG . ASP A 1 11 ? 1.545 -7.428 -6.557 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 13 -ATOM 19314 O OD1 . ASP A 1 11 ? 2.670 -7.713 -7.011 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 13 -ATOM 19315 O OD2 . ASP A 1 11 ? 0.651 -8.307 -6.387 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 13 -ATOM 19316 H H . ASP A 1 11 ? 0.513 -3.516 -6.311 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 13 -ATOM 19317 H HA . ASP A 1 11 ? 1.556 -5.318 -8.302 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 13 -ATOM 19318 H HB2 . ASP A 1 11 ? 2.123 -5.513 -5.861 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 13 -ATOM 19319 H HB3 . ASP A 1 11 ? 0.439 -5.928 -5.542 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 13 -ATOM 19320 N N . GLU A 1 12 ? -0.476 -6.870 -8.772 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 13 -ATOM 19321 C CA . GLU A 1 12 ? -1.694 -7.502 -9.256 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 13 -ATOM 19322 C C . GLU A 1 12 ? -2.660 -7.812 -8.097 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 13 -ATOM 19323 O O . GLU A 1 12 ? -3.860 -7.625 -8.240 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 13 -ATOM 19324 C CB . GLU A 1 12 ? -1.418 -8.786 -10.053 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 13 -ATOM 19325 C CG . GLU A 1 12 ? -0.741 -9.881 -9.254 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 13 -ATOM 19326 C CD . GLU A 1 12 ? -0.852 -11.221 -9.908 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 13 -ATOM 19327 O OE1 . GLU A 1 12 ? -1.903 -11.856 -9.774 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 13 -ATOM 19328 O OE2 . GLU A 1 12 ? 0.107 -11.675 -10.549 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 13 -ATOM 19329 H H . GLU A 1 12 ? 0.393 -7.262 -9.003 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 13 -ATOM 19330 H HA . GLU A 1 12 ? -2.180 -6.786 -9.903 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 13 -ATOM 19331 H HB2 . GLU A 1 12 ? -2.355 -9.175 -10.424 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 13 -ATOM 19332 H HB3 . GLU A 1 12 ? -0.789 -8.542 -10.898 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 13 -ATOM 19333 H HG2 . GLU A 1 12 ? 0.305 -9.637 -9.145 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 13 -ATOM 19334 H HG3 . GLU A 1 12 ? -1.200 -9.930 -8.278 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 13 -ATOM 19335 N N . ARG A 1 13 ? -2.125 -8.240 -6.932 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 13 -ATOM 19336 C CA . ARG A 1 13 ? -2.971 -8.529 -5.775 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 13 -ATOM 19337 C C . ARG A 1 13 ? -3.670 -7.282 -5.330 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 13 -ATOM 19338 O O . ARG A 1 13 ? -4.878 -7.284 -5.109 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 13 -ATOM 19339 C CB . ARG A 1 13 ? -2.185 -9.136 -4.600 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 13 -ATOM 19340 C CG . ARG A 1 13 ? -1.736 -10.574 -4.804 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 13 -ATOM 19341 C CD . ARG A 1 13 ? -2.930 -11.498 -5.037 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 13 -ATOM 19342 N NE . ARG A 1 13 ? -3.909 -11.465 -3.934 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 13 -ATOM 19343 C CZ . ARG A 1 13 ? -5.243 -11.324 -4.071 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 13 -ATOM 19344 N NH1 . ARG A 1 13 ? -5.813 -11.327 -5.279 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 13 -ATOM 19345 N NH2 . ARG A 1 13 ? -5.994 -11.253 -2.987 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 13 -ATOM 19346 H H . ARG A 1 13 ? -1.144 -8.333 -6.853 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 13 -ATOM 19347 H HA . ARG A 1 13 ? -3.727 -9.231 -6.096 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 13 -ATOM 19348 H HB2 . ARG A 1 13 ? -1.304 -8.535 -4.427 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 13 -ATOM 19349 H HB3 . ARG A 1 13 ? -2.805 -9.099 -3.715 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 13 -ATOM 19350 H HG2 . ARG A 1 13 ? -1.085 -10.618 -5.665 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 13 -ATOM 19351 H HG3 . ARG A 1 13 ? -1.200 -10.902 -3.925 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 13 -ATOM 19352 H HD2 . ARG A 1 13 ? -3.422 -11.194 -5.946 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 13 -ATOM 19353 H HD3 . ARG A 1 13 ? -2.570 -12.509 -5.151 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 13 -ATOM 19354 H HE . ARG A 1 13 ? -3.543 -11.548 -3.020 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 13 -ATOM 19355 H HH11 . ARG A 1 13 ? -5.277 -11.444 -6.119 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 13 -ATOM 19356 H HH12 . ARG A 1 13 ? -6.805 -11.212 -5.401 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 13 -ATOM 19357 H HH21 . ARG A 1 13 ? -5.555 -11.312 -2.083 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 13 -ATOM 19358 H HH22 . ARG A 1 13 ? -6.992 -11.148 -3.003 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 13 -ATOM 19359 N N . ALA A 1 14 ? -2.914 -6.211 -5.260 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 13 -ATOM 19360 C CA . ALA A 1 14 ? -3.432 -4.930 -4.873 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 13 -ATOM 19361 C C . ALA A 1 14 ? -4.482 -4.454 -5.856 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 13 -ATOM 19362 O O . ALA A 1 14 ? -5.521 -4.014 -5.452 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 13 -ATOM 19363 C CB . ALA A 1 14 ? -2.318 -3.912 -4.770 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 13 -ATOM 19364 H H . ALA A 1 14 ? -1.964 -6.301 -5.483 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 13 -ATOM 19365 H HA . ALA A 1 14 ? -3.884 -5.036 -3.897 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 13 -ATOM 19366 H HB1 . ALA A 1 14 ? -1.854 -3.790 -5.737 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 13 -ATOM 19367 H HB2 . ALA A 1 14 ? -1.581 -4.255 -4.060 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 13 -ATOM 19368 H HB3 . ALA A 1 14 ? -2.723 -2.966 -4.443 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 13 -ATOM 19369 N N . LEU A 1 15 ? -4.214 -4.609 -7.144 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 13 -ATOM 19370 C CA . LEU A 1 15 ? -5.112 -4.141 -8.195 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 13 -ATOM 19371 C C . LEU A 1 15 ? -6.448 -4.839 -8.170 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 13 -ATOM 19372 O O . LEU A 1 15 ? -7.493 -4.193 -8.265 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 13 -ATOM 19373 C CB . LEU A 1 15 ? -4.462 -4.293 -9.562 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 13 -ATOM 19374 C CG . LEU A 1 15 ? -3.391 -3.270 -9.904 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 13 -ATOM 19375 C CD1 . LEU A 1 15 ? -2.686 -3.661 -11.189 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 13 -ATOM 19376 C CD2 . LEU A 1 15 ? -4.023 -1.885 -10.050 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 13 -ATOM 19377 H H . LEU A 1 15 ? -3.387 -5.073 -7.408 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 13 -ATOM 19378 H HA . LEU A 1 15 ? -5.286 -3.091 -8.023 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 13 -ATOM 19379 H HB2 . LEU A 1 15 ? -4.018 -5.276 -9.605 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 13 -ATOM 19380 H HB3 . LEU A 1 15 ? -5.238 -4.238 -10.309 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 13 -ATOM 19381 H HG . LEU A 1 15 ? -2.662 -3.228 -9.109 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 13 -ATOM 19382 H HD11 . LEU A 1 15 ? -2.200 -4.616 -11.056 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 13 -ATOM 19383 H HD12 . LEU A 1 15 ? -1.949 -2.912 -11.442 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 13 -ATOM 19384 H HD13 . LEU A 1 15 ? -3.412 -3.737 -11.984 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 13 -ATOM 19385 H HD21 . LEU A 1 15 ? -3.265 -1.165 -10.325 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 13 -ATOM 19386 H HD22 . LEU A 1 15 ? -4.481 -1.578 -9.121 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 13 -ATOM 19387 H HD23 . LEU A 1 15 ? -4.779 -1.915 -10.820 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 13 -ATOM 19388 N N . LYS A 1 16 ? -6.418 -6.134 -8.028 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 13 -ATOM 19389 C CA . LYS A 1 16 ? -7.626 -6.928 -8.004 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 13 -ATOM 19390 C C . LYS A 1 16 ? -8.493 -6.557 -6.807 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 13 -ATOM 19391 O O . LYS A 1 16 ? -9.705 -6.350 -6.947 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 13 -ATOM 19392 C CB . LYS A 1 16 ? -7.247 -8.400 -8.001 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 13 -ATOM 19393 C CG . LYS A 1 16 ? -6.545 -8.805 -9.281 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 13 -ATOM 19394 C CD . LYS A 1 16 ? -5.806 -10.115 -9.145 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 13 -ATOM 19395 C CE . LYS A 1 16 ? -5.182 -10.502 -10.481 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 13 -ATOM 19396 N NZ . LYS A 1 16 ? -4.444 -11.783 -10.440 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 13 -ATOM 19397 H H . LYS A 1 16 ? -5.547 -6.581 -7.939 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 13 -ATOM 19398 H HA . LYS A 1 16 ? -8.173 -6.711 -8.908 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 13 -ATOM 19399 H HB2 . LYS A 1 16 ? -6.594 -8.596 -7.164 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 13 -ATOM 19400 H HB3 . LYS A 1 16 ? -8.144 -8.993 -7.905 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 13 -ATOM 19401 H HG2 . LYS A 1 16 ? -7.278 -8.903 -10.068 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 13 -ATOM 19402 H HG3 . LYS A 1 16 ? -5.841 -8.029 -9.546 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 13 -ATOM 19403 H HD2 . LYS A 1 16 ? -5.029 -9.945 -8.410 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 13 -ATOM 19404 H HD3 . LYS A 1 16 ? -6.482 -10.883 -8.804 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 13 -ATOM 19405 H HE2 . LYS A 1 16 ? -5.972 -10.587 -11.210 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 13 -ATOM 19406 H HE3 . LYS A 1 16 ? -4.509 -9.713 -10.786 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 13 -ATOM 19407 H HZ1 . LYS A 1 16 ? -4.200 -12.061 -11.412 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 13 -ATOM 19408 H HZ2 . LYS A 1 16 ? -4.988 -12.556 -10.013 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 13 -ATOM 19409 H HZ3 . LYS A 1 16 ? -3.532 -11.700 -9.931 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 13 -ATOM 19410 N N . GLU A 1 17 ? -7.869 -6.409 -5.666 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 13 -ATOM 19411 C CA . GLU A 1 17 ? -8.559 -6.023 -4.452 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 13 -ATOM 19412 C C . GLU A 1 17 ? -9.029 -4.550 -4.524 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 13 -ATOM 19413 O O . GLU A 1 17 ? -10.120 -4.220 -4.085 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 13 -ATOM 19414 C CB . GLU A 1 17 ? -7.651 -6.271 -3.256 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 13 -ATOM 19415 C CG . GLU A 1 17 ? -7.243 -7.737 -3.105 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 13 -ATOM 19416 C CD . GLU A 1 17 ? -8.394 -8.642 -2.744 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 13 -ATOM 19417 O OE1 . GLU A 1 17 ? -8.666 -8.816 -1.544 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 13 -ATOM 19418 O OE2 . GLU A 1 17 ? -9.053 -9.202 -3.640 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 13 -ATOM 19419 H H . GLU A 1 17 ? -6.902 -6.576 -5.620 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 13 -ATOM 19420 H HA . GLU A 1 17 ? -9.431 -6.653 -4.367 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 13 -ATOM 19421 H HB2 . GLU A 1 17 ? -6.757 -5.676 -3.369 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 13 -ATOM 19422 H HB3 . GLU A 1 17 ? -8.166 -5.968 -2.356 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 13 -ATOM 19423 H HG2 . GLU A 1 17 ? -6.861 -8.063 -4.061 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 13 -ATOM 19424 H HG3 . GLU A 1 17 ? -6.457 -7.840 -2.373 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 13 -ATOM 19425 N N . TRP A 1 18 ? -8.201 -3.705 -5.118 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 13 -ATOM 19426 C CA . TRP A 1 18 ? -8.456 -2.262 -5.298 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 13 -ATOM 19427 C C . TRP A 1 18 ? -9.680 -2.037 -6.184 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 13 -ATOM 19428 O O . TRP A 1 18 ? -10.548 -1.213 -5.875 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 13 -ATOM 19429 C CB . TRP A 1 18 ? -7.200 -1.628 -5.932 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 13 -ATOM 19430 C CG . TRP A 1 18 ? -7.242 -0.162 -6.219 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 13 -ATOM 19431 C CD1 . TRP A 1 18 ? -7.608 0.429 -7.389 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 13 -ATOM 19432 C CD2 . TRP A 1 18 ? -6.848 0.895 -5.342 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 13 -ATOM 19433 N NE1 . TRP A 1 18 ? -7.498 1.788 -7.284 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 13 -ATOM 19434 C CE2 . TRP A 1 18 ? -7.027 2.102 -6.039 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 13 -ATOM 19435 C CE3 . TRP A 1 18 ? -6.371 0.940 -4.030 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 13 -ATOM 19436 C CZ2 . TRP A 1 18 ? -6.742 3.337 -5.475 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 13 -ATOM 19437 C CZ3 . TRP A 1 18 ? -6.088 2.166 -3.472 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 13 -ATOM 19438 C CH2 . TRP A 1 18 ? -6.274 3.347 -4.192 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 13 -ATOM 19439 H H . TRP A 1 18 ? -7.341 -4.055 -5.442 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 13 -ATOM 19440 H HA . TRP A 1 18 ? -8.628 -1.813 -4.330 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 13 -ATOM 19441 H HB2 . TRP A 1 18 ? -6.359 -1.793 -5.274 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 13 -ATOM 19442 H HB3 . TRP A 1 18 ? -7.003 -2.142 -6.862 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 13 -ATOM 19443 H HD1 . TRP A 1 18 ? -7.946 -0.115 -8.260 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 13 -ATOM 19444 H HE1 . TRP A 1 18 ? -7.718 2.421 -8.003 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 13 -ATOM 19445 H HE3 . TRP A 1 18 ? -6.222 0.035 -3.459 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 13 -ATOM 19446 H HZ2 . TRP A 1 18 ? -6.880 4.260 -6.017 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 13 -ATOM 19447 H HZ3 . TRP A 1 18 ? -5.715 2.223 -2.460 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 13 -ATOM 19448 H HH2 . TRP A 1 18 ? -6.037 4.285 -3.713 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 13 -ATOM 19449 N N . ARG A 1 19 ? -9.758 -2.774 -7.274 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 13 -ATOM 19450 C CA . ARG A 1 19 ? -10.884 -2.647 -8.184 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 13 -ATOM 19451 C C . ARG A 1 19 ? -12.131 -3.248 -7.565 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 13 -ATOM 19452 O O . ARG A 1 19 ? -13.245 -2.825 -7.859 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 13 -ATOM 19453 C CB . ARG A 1 19 ? -10.577 -3.286 -9.533 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 13 -ATOM 19454 C CG . ARG A 1 19 ? -9.404 -2.638 -10.241 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 13 -ATOM 19455 C CD . ARG A 1 19 ? -9.111 -3.297 -11.569 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 13 -ATOM 19456 N NE . ARG A 1 19 ? -10.187 -3.096 -12.549 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 13 -ATOM 19457 C CZ . ARG A 1 19 ? -10.115 -3.461 -13.837 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 13 -ATOM 19458 N NH1 . ARG A 1 19 ? -9.014 -4.053 -14.307 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 13 -ATOM 19459 N NH2 . ARG A 1 19 ? -11.136 -3.223 -14.652 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 13 -ATOM 19460 H H . ARG A 1 19 ? -9.027 -3.404 -7.474 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 13 -ATOM 19461 H HA . ARG A 1 19 ? -11.060 -1.591 -8.325 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 13 -ATOM 19462 H HB2 . ARG A 1 19 ? -10.342 -4.328 -9.377 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 13 -ATOM 19463 H HB3 . ARG A 1 19 ? -11.445 -3.210 -10.170 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 13 -ATOM 19464 H HG2 . ARG A 1 19 ? -9.647 -1.600 -10.416 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 13 -ATOM 19465 H HG3 . ARG A 1 19 ? -8.532 -2.705 -9.607 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 13 -ATOM 19466 H HD2 . ARG A 1 19 ? -8.190 -2.897 -11.964 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 13 -ATOM 19467 H HD3 . ARG A 1 19 ? -8.999 -4.355 -11.388 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 13 -ATOM 19468 H HE . ARG A 1 19 ? -10.994 -2.646 -12.206 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 13 -ATOM 19469 H HH11 . ARG A 1 19 ? -8.216 -4.246 -13.730 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 13 -ATOM 19470 H HH12 . ARG A 1 19 ? -8.917 -4.328 -15.267 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 13 -ATOM 19471 H HH21 . ARG A 1 19 ? -11.975 -2.766 -14.344 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 13 -ATOM 19472 H HH22 . ARG A 1 19 ? -11.112 -3.483 -15.621 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 13 -ATOM 19473 N N . LYS A 1 20 ? -11.930 -4.205 -6.688 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 13 -ATOM 19474 C CA . LYS A 1 20 ? -13.015 -4.854 -5.975 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 13 -ATOM 19475 C C . LYS A 1 20 ? -13.570 -3.898 -4.905 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 13 -ATOM 19476 O O . LYS A 1 20 ? -14.778 -3.848 -4.665 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 13 -ATOM 19477 C CB . LYS A 1 20 ? -12.489 -6.134 -5.328 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 13 -ATOM 19478 C CG . LYS A 1 20 ? -13.544 -7.025 -4.702 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 13 -ATOM 19479 C CD . LYS A 1 20 ? -12.910 -8.259 -4.076 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 13 -ATOM 19480 C CE . LYS A 1 20 ? -12.134 -7.933 -2.806 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 13 -ATOM 19481 N NZ . LYS A 1 20 ? -11.424 -9.115 -2.288 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 13 -ATOM 19482 H H . LYS A 1 20 ? -11.008 -4.495 -6.522 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 13 -ATOM 19483 H HA . LYS A 1 20 ? -13.793 -5.102 -6.683 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 13 -ATOM 19484 H HB2 . LYS A 1 20 ? -11.969 -6.710 -6.080 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 13 -ATOM 19485 H HB3 . LYS A 1 20 ? -11.780 -5.849 -4.566 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 13 -ATOM 19486 H HG2 . LYS A 1 20 ? -14.058 -6.468 -3.934 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 13 -ATOM 19487 H HG3 . LYS A 1 20 ? -14.247 -7.333 -5.461 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 13 -ATOM 19488 H HD2 . LYS A 1 20 ? -13.683 -8.972 -3.836 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 13 -ATOM 19489 H HD3 . LYS A 1 20 ? -12.230 -8.688 -4.798 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 13 -ATOM 19490 H HE2 . LYS A 1 20 ? -11.409 -7.161 -3.018 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 13 -ATOM 19491 H HE3 . LYS A 1 20 ? -12.824 -7.581 -2.055 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 13 -ATOM 19492 H HZ1 . LYS A 1 20 ? -12.027 -9.957 -2.208 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 13 -ATOM 19493 H HZ2 . LYS A 1 20 ? -11.022 -8.927 -1.349 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 13 -ATOM 19494 H HZ3 . LYS A 1 20 ? -10.606 -9.350 -2.896 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 13 -ATOM 19495 N N . LEU A 1 21 ? -12.667 -3.166 -4.273 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 13 -ATOM 19496 C CA . LEU A 1 21 ? -12.982 -2.155 -3.255 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 13 -ATOM 19497 C C . LEU A 1 21 ? -13.926 -1.083 -3.790 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 13 -ATOM 19498 O O . LEU A 1 21 ? -13.920 -0.774 -4.997 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 13 -ATOM 19499 C CB . LEU A 1 21 ? -11.694 -1.475 -2.783 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 13 -ATOM 19500 C CG . LEU A 1 21 ? -11.288 -1.677 -1.327 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 13 -ATOM 19501 C CD1 . LEU A 1 21 ? -11.060 -3.146 -1.007 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 13 -ATOM 19502 C CD2 . LEU A 1 21 ? -10.049 -0.865 -1.025 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 13 -ATOM 19503 H H . LEU A 1 21 ? -11.722 -3.330 -4.482 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 13 -ATOM 19504 H HA . LEU A 1 21 ? -13.438 -2.647 -2.409 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 13 -ATOM 19505 H HB2 . LEU A 1 21 ? -10.885 -1.827 -3.406 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 13 -ATOM 19506 H HB3 . LEU A 1 21 ? -11.810 -0.415 -2.954 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 13 -ATOM 19507 H HG . LEU A 1 21 ? -12.078 -1.310 -0.689 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 13 -ATOM 19508 H HD11 . LEU A 1 21 ? -10.271 -3.533 -1.634 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 13 -ATOM 19509 H HD12 . LEU A 1 21 ? -11.970 -3.698 -1.187 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 13 -ATOM 19510 H HD13 . LEU A 1 21 ? -10.781 -3.246 0.030 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 13 -ATOM 19511 H HD21 . LEU A 1 21 ? -9.244 -1.170 -1.676 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 13 -ATOM 19512 H HD22 . LEU A 1 21 ? -9.764 -1.017 0.005 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 13 -ATOM 19513 H HD23 . LEU A 1 21 ? -10.272 0.180 -1.187 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 13 -ATOM 19514 N N . GLY A 1 22 ? -14.720 -0.521 -2.897 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 13 -ATOM 19515 C CA . GLY A 1 22 ? -15.640 0.531 -3.254 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 13 -ATOM 19516 C C . GLY A 1 22 ? -14.904 1.763 -3.712 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 13 -ATOM 19517 O O . GLY A 1 22 ? -13.835 2.077 -3.170 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 13 -ATOM 19518 H H . GLY A 1 22 ? -14.685 -0.818 -1.962 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 13 -ATOM 19519 H HA2 . GLY A 1 22 ? -16.275 0.183 -4.054 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 13 -ATOM 19520 H HA3 . GLY A 1 22 ? -16.248 0.781 -2.397 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 13 -ATOM 19521 N N . SER A 1 23 ? -15.476 2.455 -4.684 1.00 0.00 ? ? ? ? ? ? 20 SER A N 13 -ATOM 19522 C CA . SER A 1 23 ? -14.890 3.626 -5.319 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 13 -ATOM 19523 C C . SER A 1 23 ? -14.403 4.662 -4.283 1.00 0.00 ? ? ? ? ? ? 20 SER A C 13 -ATOM 19524 O O . SER A 1 23 ? -13.264 5.091 -4.316 1.00 0.00 ? ? ? ? ? ? 20 SER A O 13 -ATOM 19525 C CB . SER A 1 23 ? -15.939 4.250 -6.245 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 13 -ATOM 19526 O OG . SER A 1 23 ? -16.527 3.254 -7.087 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 13 -ATOM 19527 H H . SER A 1 23 ? -16.361 2.174 -5.001 1.00 0.00 ? ? ? ? ? ? 20 SER A H 13 -ATOM 19528 H HA . SER A 1 23 ? -14.055 3.302 -5.922 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 13 -ATOM 19529 H HB2 . SER A 1 23 ? -16.714 4.704 -5.645 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 13 -ATOM 19530 H HB3 . SER A 1 23 ? -15.473 5.002 -6.863 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 13 -ATOM 19531 H HG . SER A 1 23 ? -17.488 3.337 -7.008 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 13 -ATOM 19532 N N . THR A 1 24 ? -15.256 5.001 -3.355 1.00 0.00 ? ? ? ? ? ? 21 THR A N 13 -ATOM 19533 C CA . THR A 1 24 ? -14.968 5.986 -2.332 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 13 -ATOM 19534 C C . THR A 1 24 ? -13.909 5.468 -1.346 1.00 0.00 ? ? ? ? ? ? 21 THR A C 13 -ATOM 19535 O O . THR A 1 24 ? -13.005 6.205 -0.941 1.00 0.00 ? ? ? ? ? ? 21 THR A O 13 -ATOM 19536 C CB . THR A 1 24 ? -16.267 6.356 -1.586 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 13 -ATOM 19537 O OG1 . THR A 1 24 ? -17.261 6.736 -2.558 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 13 -ATOM 19538 C CG2 . THR A 1 24 ? -16.041 7.522 -0.627 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 13 -ATOM 19539 H H . THR A 1 24 ? -16.128 4.553 -3.340 1.00 0.00 ? ? ? ? ? ? 21 THR A H 13 -ATOM 19540 H HA . THR A 1 24 ? -14.587 6.872 -2.817 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 13 -ATOM 19541 H HB . THR A 1 24 ? -16.603 5.490 -1.034 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 13 -ATOM 19542 H HG1 . THR A 1 24 ? -17.284 7.701 -2.586 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 13 -ATOM 19543 H HG21 . THR A 1 24 ? -15.710 8.389 -1.180 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 13 -ATOM 19544 H HG22 . THR A 1 24 ? -15.286 7.253 0.097 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 13 -ATOM 19545 H HG23 . THR A 1 24 ? -16.964 7.754 -0.115 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 13 -ATOM 19546 N N . VAL A 1 25 ? -13.984 4.185 -1.033 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 13 -ATOM 19547 C CA . VAL A 1 25 ? -13.072 3.580 -0.081 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 13 -ATOM 19548 C C . VAL A 1 25 ? -11.672 3.568 -0.665 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 13 -ATOM 19549 O O . VAL A 1 25 ? -10.711 4.017 -0.028 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 13 -ATOM 19550 C CB . VAL A 1 25 ? -13.506 2.128 0.274 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 13 -ATOM 19551 C CG1 . VAL A 1 25 ? -12.519 1.485 1.236 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 13 -ATOM 19552 C CG2 . VAL A 1 25 ? -14.901 2.117 0.879 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 13 -ATOM 19553 H H . VAL A 1 25 ? -14.647 3.621 -1.481 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 13 -ATOM 19554 H HA . VAL A 1 25 ? -13.076 4.180 0.818 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 13 -ATOM 19555 H HB . VAL A 1 25 ? -13.527 1.554 -0.641 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 13 -ATOM 19556 H HG11 . VAL A 1 25 ? -12.836 0.477 1.463 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 13 -ATOM 19557 H HG12 . VAL A 1 25 ? -12.477 2.059 2.149 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 13 -ATOM 19558 H HG13 . VAL A 1 25 ? -11.539 1.458 0.782 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 13 -ATOM 19559 H HG21 . VAL A 1 25 ? -14.896 2.699 1.788 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 13 -ATOM 19560 H HG22 . VAL A 1 25 ? -15.186 1.102 1.108 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 13 -ATOM 19561 H HG23 . VAL A 1 25 ? -15.605 2.543 0.180 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 13 -ATOM 19562 N N . ARG A 1 26 ? -11.570 3.127 -1.901 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 13 -ATOM 19563 C CA . ARG A 1 26 ? -10.298 3.108 -2.563 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 13 -ATOM 19564 C C . ARG A 1 26 ? -9.801 4.507 -2.853 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 13 -ATOM 19565 O O . ARG A 1 26 ? -8.629 4.754 -2.780 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 13 -ATOM 19566 C CB . ARG A 1 26 ? -10.274 2.247 -3.818 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 13 -ATOM 19567 C CG . ARG A 1 26 ? -11.297 2.609 -4.867 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 13 -ATOM 19568 C CD . ARG A 1 26 ? -10.960 1.936 -6.163 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 13 -ATOM 19569 N NE . ARG A 1 26 ? -11.899 2.275 -7.230 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 13 -ATOM 19570 C CZ . ARG A 1 26 ? -12.666 1.395 -7.891 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 13 -ATOM 19571 N NH1 . ARG A 1 26 ? -12.719 0.115 -7.504 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 13 -ATOM 19572 N NH2 . ARG A 1 26 ? -13.394 1.802 -8.921 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 13 -ATOM 19573 H H . ARG A 1 26 ? -12.379 2.799 -2.357 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 13 -ATOM 19574 H HA . ARG A 1 26 ? -9.609 2.684 -1.847 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 13 -ATOM 19575 H HB2 . ARG A 1 26 ? -9.295 2.331 -4.266 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 13 -ATOM 19576 H HB3 . ARG A 1 26 ? -10.427 1.218 -3.530 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 13 -ATOM 19577 H HG2 . ARG A 1 26 ? -12.244 2.219 -4.520 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 13 -ATOM 19578 H HG3 . ARG A 1 26 ? -11.398 3.678 -4.990 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 13 -ATOM 19579 H HD2 . ARG A 1 26 ? -9.972 2.282 -6.434 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 13 -ATOM 19580 H HD3 . ARG A 1 26 ? -10.941 0.867 -6.013 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 13 -ATOM 19581 H HE . ARG A 1 26 ? -11.892 3.229 -7.477 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 13 -ATOM 19582 H HH11 . ARG A 1 26 ? -12.195 -0.227 -6.715 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 13 -ATOM 19583 H HH12 . ARG A 1 26 ? -13.285 -0.568 -7.978 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 13 -ATOM 19584 H HH21 . ARG A 1 26 ? -13.399 2.754 -9.243 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 13 -ATOM 19585 H HH22 . ARG A 1 26 ? -13.993 1.177 -9.431 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 13 -ATOM 19586 N N . GLU A 1 27 ? -10.692 5.425 -3.182 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 13 -ATOM 19587 C CA . GLU A 1 27 ? -10.275 6.787 -3.435 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 13 -ATOM 19588 C C . GLU A 1 27 ? -9.746 7.505 -2.219 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 13 -ATOM 19589 O O . GLU A 1 27 ? -8.871 8.342 -2.346 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 13 -ATOM 19590 C CB . GLU A 1 27 ? -11.286 7.612 -4.187 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 13 -ATOM 19591 C CG . GLU A 1 27 ? -11.342 7.258 -5.655 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 13 -ATOM 19592 C CD . GLU A 1 27 ? -12.139 8.238 -6.438 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 13 -ATOM 19593 O OE1 . GLU A 1 27 ? -11.613 9.328 -6.741 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 13 -ATOM 19594 O OE2 . GLU A 1 27 ? -13.299 7.960 -6.764 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 13 -ATOM 19595 H H . GLU A 1 27 ? -11.641 5.182 -3.274 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 13 -ATOM 19596 H HA . GLU A 1 27 ? -9.414 6.666 -4.077 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 13 -ATOM 19597 H HB2 . GLU A 1 27 ? -12.256 7.424 -3.749 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 13 -ATOM 19598 H HB3 . GLU A 1 27 ? -11.039 8.658 -4.085 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 13 -ATOM 19599 H HG2 . GLU A 1 27 ? -10.338 7.243 -6.051 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 13 -ATOM 19600 H HG3 . GLU A 1 27 ? -11.788 6.281 -5.762 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 13 -ATOM 19601 N N . GLN A 1 28 ? -10.246 7.191 -1.040 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 13 -ATOM 19602 C CA . GLN A 1 28 ? -9.703 7.774 0.138 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 13 -ATOM 19603 C C . GLN A 1 28 ? -8.315 7.199 0.402 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 13 -ATOM 19604 O O . GLN A 1 28 ? -7.423 7.899 0.866 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 13 -ATOM 19605 C CB . GLN A 1 28 ? -10.645 7.632 1.315 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 13 -ATOM 19606 C CG . GLN A 1 28 ? -11.518 8.869 1.648 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 13 -ATOM 19607 C CD . GLN A 1 28 ? -12.575 9.302 0.607 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 13 -ATOM 19608 O OE1 . GLN A 1 28 ? -13.616 9.831 0.982 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 13 -ATOM 19609 N NE2 . GLN A 1 28 ? -12.322 9.137 -0.660 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 13 -ATOM 19610 H H . GLN A 1 28 ? -10.979 6.549 -0.903 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 13 -ATOM 19611 H HA . GLN A 1 28 ? -9.561 8.821 -0.080 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 13 -ATOM 19612 H HB2 . GLN A 1 28 ? -11.304 6.795 1.136 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 13 -ATOM 19613 H HB3 . GLN A 1 28 ? -10.025 7.416 2.167 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 13 -ATOM 19614 H HG2 . GLN A 1 28 ? -12.050 8.665 2.566 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 13 -ATOM 19615 H HG3 . GLN A 1 28 ? -10.850 9.699 1.824 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 13 -ATOM 19616 H HE21 . GLN A 1 28 ? -11.468 8.734 -0.917 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 13 -ATOM 19617 H HE22 . GLN A 1 28 ? -12.997 9.418 -1.317 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 13 -ATOM 19618 N N . LEU A 1 29 ? -8.140 5.931 0.068 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 13 -ATOM 19619 C CA . LEU A 1 29 ? -6.832 5.295 0.118 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 13 -ATOM 19620 C C . LEU A 1 29 ? -5.904 5.944 -0.920 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 13 -ATOM 19621 O O . LEU A 1 29 ? -4.746 6.216 -0.635 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 13 -ATOM 19622 C CB . LEU A 1 29 ? -6.952 3.790 -0.129 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 13 -ATOM 19623 C CG . LEU A 1 29 ? -7.701 2.987 0.944 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 13 -ATOM 19624 C CD1 . LEU A 1 29 ? -7.853 1.556 0.514 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 13 -ATOM 19625 C CD2 . LEU A 1 29 ? -6.964 3.054 2.271 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 13 -ATOM 19626 H H . LEU A 1 29 ? -8.915 5.400 -0.214 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 13 -ATOM 19627 H HA . LEU A 1 29 ? -6.418 5.470 1.101 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 13 -ATOM 19628 H HB2 . LEU A 1 29 ? -7.461 3.652 -1.071 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 13 -ATOM 19629 H HB3 . LEU A 1 29 ? -5.953 3.387 -0.219 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 13 -ATOM 19630 H HG . LEU A 1 29 ? -8.698 3.376 1.082 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 13 -ATOM 19631 H HD11 . LEU A 1 29 ? -6.875 1.122 0.372 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 13 -ATOM 19632 H HD12 . LEU A 1 29 ? -8.405 1.511 -0.414 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 13 -ATOM 19633 H HD13 . LEU A 1 29 ? -8.381 1.003 1.277 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 13 -ATOM 19634 H HD21 . LEU A 1 29 ? -5.960 2.675 2.144 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 13 -ATOM 19635 H HD22 . LEU A 1 29 ? -7.483 2.443 2.995 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 13 -ATOM 19636 H HD23 . LEU A 1 29 ? -6.926 4.075 2.619 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 13 -ATOM 19637 N N . LYS A 1 30 ? -6.449 6.203 -2.118 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 13 -ATOM 19638 C CA . LYS A 1 30 ? -5.746 6.917 -3.197 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 13 -ATOM 19639 C C . LYS A 1 30 ? -5.255 8.271 -2.681 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 13 -ATOM 19640 O O . LYS A 1 30 ? -4.116 8.654 -2.897 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 13 -ATOM 19641 C CB . LYS A 1 30 ? -6.727 7.174 -4.350 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 13 -ATOM 19642 C CG . LYS A 1 30 ? -6.148 7.933 -5.541 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 13 -ATOM 19643 C CD . LYS A 1 30 ? -7.251 8.533 -6.426 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 13 -ATOM 19644 C CE . LYS A 1 30 ? -7.985 9.675 -5.703 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 13 -ATOM 19645 N NZ . LYS A 1 30 ? -9.038 10.312 -6.535 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 13 -ATOM 19646 H H . LYS A 1 30 ? -7.350 5.851 -2.294 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 13 -ATOM 19647 H HA . LYS A 1 30 ? -4.920 6.324 -3.557 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 13 -ATOM 19648 H HB2 . LYS A 1 30 ? -7.097 6.223 -4.706 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 13 -ATOM 19649 H HB3 . LYS A 1 30 ? -7.554 7.741 -3.951 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 13 -ATOM 19650 H HG2 . LYS A 1 30 ? -5.530 8.734 -5.164 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 13 -ATOM 19651 H HG3 . LYS A 1 30 ? -5.546 7.257 -6.130 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 13 -ATOM 19652 H HD2 . LYS A 1 30 ? -6.807 8.920 -7.331 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 13 -ATOM 19653 H HD3 . LYS A 1 30 ? -7.963 7.760 -6.675 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 13 -ATOM 19654 H HE2 . LYS A 1 30 ? -8.451 9.289 -4.808 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 13 -ATOM 19655 H HE3 . LYS A 1 30 ? -7.253 10.421 -5.420 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 13 -ATOM 19656 H HZ1 . LYS A 1 30 ? -9.849 9.688 -6.741 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 13 -ATOM 19657 H HZ2 . LYS A 1 30 ? -8.657 10.644 -7.444 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 13 -ATOM 19658 H HZ3 . LYS A 1 30 ? -9.411 11.145 -6.038 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 13 -ATOM 19659 N N . LYS A 1 31 ? -6.135 8.959 -1.964 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 13 -ATOM 19660 C CA . LYS A 1 31 ? -5.833 10.244 -1.343 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 13 -ATOM 19661 C C . LYS A 1 31 ? -4.658 10.121 -0.382 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 13 -ATOM 19662 O O . LYS A 1 31 ? -3.796 11.011 -0.318 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 13 -ATOM 19663 C CB . LYS A 1 31 ? -7.083 10.786 -0.637 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 13 -ATOM 19664 C CG . LYS A 1 31 ? -8.133 11.359 -1.599 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 13 -ATOM 19665 C CD . LYS A 1 31 ? -9.545 11.460 -0.987 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 13 -ATOM 19666 C CE . LYS A 1 31 ? -9.571 12.018 0.426 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 13 -ATOM 19667 N NZ . LYS A 1 31 ? -9.062 13.400 0.529 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 13 -ATOM 19668 H H . LYS A 1 31 ? -7.037 8.581 -1.870 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 13 -ATOM 19669 H HA . LYS A 1 31 ? -5.556 10.927 -2.131 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 13 -ATOM 19670 H HB2 . LYS A 1 31 ? -7.535 9.986 -0.069 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 13 -ATOM 19671 H HB3 . LYS A 1 31 ? -6.778 11.570 0.043 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 13 -ATOM 19672 H HG2 . LYS A 1 31 ? -7.828 12.340 -1.930 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 13 -ATOM 19673 H HG3 . LYS A 1 31 ? -8.185 10.690 -2.446 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 13 -ATOM 19674 H HD2 . LYS A 1 31 ? -10.127 12.122 -1.610 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 13 -ATOM 19675 H HD3 . LYS A 1 31 ? -10.010 10.487 -1.000 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 13 -ATOM 19676 H HE2 . LYS A 1 31 ? -10.597 11.996 0.763 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 13 -ATOM 19677 H HE3 . LYS A 1 31 ? -8.985 11.361 1.051 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 13 -ATOM 19678 H HZ1 . LYS A 1 31 ? -8.117 13.503 0.112 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 13 -ATOM 19679 H HZ2 . LYS A 1 31 ? -8.967 13.640 1.539 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 13 -ATOM 19680 H HZ3 . LYS A 1 31 ? -9.713 14.088 0.103 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 13 -ATOM 19681 N N . LYS A 1 32 ? -4.603 9.012 0.327 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 13 -ATOM 19682 C CA . LYS A 1 32 ? -3.509 8.738 1.233 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 13 -ATOM 19683 C C . LYS A 1 32 ? -2.219 8.459 0.500 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 13 -ATOM 19684 O O . LYS A 1 32 ? -1.147 8.837 0.955 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 13 -ATOM 19685 C CB . LYS A 1 32 ? -3.831 7.625 2.221 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 13 -ATOM 19686 C CG . LYS A 1 32 ? -4.386 8.118 3.548 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 13 -ATOM 19687 C CD . LYS A 1 32 ? -5.679 8.878 3.396 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 13 -ATOM 19688 C CE . LYS A 1 32 ? -6.095 9.471 4.715 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 13 -ATOM 19689 N NZ . LYS A 1 32 ? -5.122 10.475 5.191 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 13 -ATOM 19690 H H . LYS A 1 32 ? -5.324 8.350 0.235 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 13 -ATOM 19691 H HA . LYS A 1 32 ? -3.379 9.654 1.786 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 13 -ATOM 19692 H HB2 . LYS A 1 32 ? -4.557 6.963 1.773 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 13 -ATOM 19693 H HB3 . LYS A 1 32 ? -2.925 7.071 2.413 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 13 -ATOM 19694 H HG2 . LYS A 1 32 ? -4.569 7.267 4.188 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 13 -ATOM 19695 H HG3 . LYS A 1 32 ? -3.652 8.759 4.012 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 13 -ATOM 19696 H HD2 . LYS A 1 32 ? -5.539 9.672 2.677 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 13 -ATOM 19697 H HD3 . LYS A 1 32 ? -6.448 8.205 3.047 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 13 -ATOM 19698 H HE2 . LYS A 1 32 ? -7.076 9.912 4.635 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 13 -ATOM 19699 H HE3 . LYS A 1 32 ? -6.106 8.648 5.417 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 13 -ATOM 19700 H HZ1 . LYS A 1 32 ? -5.497 11.026 5.986 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 13 -ATOM 19701 H HZ2 . LYS A 1 32 ? -4.829 11.139 4.437 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 13 -ATOM 19702 H HZ3 . LYS A 1 32 ? -4.248 10.017 5.516 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 13 -ATOM 19703 N N . LEU A 1 33 ? -2.323 7.819 -0.631 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 13 -ATOM 19704 C CA . LEU A 1 33 ? -1.166 7.535 -1.448 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 13 -ATOM 19705 C C . LEU A 1 33 ? -0.575 8.837 -1.971 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 13 -ATOM 19706 O O . LEU A 1 33 ? 0.635 9.037 -1.953 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 13 -ATOM 19707 C CB . LEU A 1 33 ? -1.547 6.610 -2.602 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 13 -ATOM 19708 C CG . LEU A 1 33 ? -2.161 5.269 -2.192 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 13 -ATOM 19709 C CD1 . LEU A 1 33 ? -2.535 4.455 -3.409 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 13 -ATOM 19710 C CD2 . LEU A 1 33 ? -1.213 4.491 -1.286 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 13 -ATOM 19711 H H . LEU A 1 33 ? -3.210 7.511 -0.920 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 13 -ATOM 19712 H HA . LEU A 1 33 ? -0.438 7.040 -0.824 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 13 -ATOM 19713 H HB2 . LEU A 1 33 ? -2.254 7.132 -3.230 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 13 -ATOM 19714 H HB3 . LEU A 1 33 ? -0.655 6.410 -3.178 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 13 -ATOM 19715 H HG . LEU A 1 33 ? -3.069 5.464 -1.640 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 13 -ATOM 19716 H HD11 . LEU A 1 33 ? -3.262 4.997 -3.996 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 13 -ATOM 19717 H HD12 . LEU A 1 33 ? -2.956 3.510 -3.099 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 13 -ATOM 19718 H HD13 . LEU A 1 33 ? -1.653 4.283 -4.007 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 13 -ATOM 19719 H HD21 . LEU A 1 33 ? -0.272 4.329 -1.787 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 13 -ATOM 19720 H HD22 . LEU A 1 33 ? -1.657 3.537 -1.049 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 13 -ATOM 19721 H HD23 . LEU A 1 33 ? -1.049 5.045 -0.374 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 13 -ATOM 19722 N N . VAL A 1 34 ? -1.452 9.733 -2.380 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 13 -ATOM 19723 C CA . VAL A 1 34 ? -1.057 11.037 -2.889 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 13 -ATOM 19724 C C . VAL A 1 34 ? -0.331 11.865 -1.810 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 13 -ATOM 19725 O O . VAL A 1 34 ? 0.717 12.463 -2.083 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 13 -ATOM 19726 C CB . VAL A 1 34 ? -2.291 11.819 -3.437 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 13 -ATOM 19727 C CG1 . VAL A 1 34 ? -1.913 13.215 -3.906 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 13 -ATOM 19728 C CG2 . VAL A 1 34 ? -2.936 11.050 -4.574 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 13 -ATOM 19729 H H . VAL A 1 34 ? -2.404 9.489 -2.353 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 13 -ATOM 19730 H HA . VAL A 1 34 ? -0.365 10.875 -3.702 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 13 -ATOM 19731 H HB . VAL A 1 34 ? -3.019 11.907 -2.644 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 13 -ATOM 19732 H HG11 . VAL A 1 34 ? -1.173 13.145 -4.689 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 13 -ATOM 19733 H HG12 . VAL A 1 34 ? -1.511 13.772 -3.072 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 13 -ATOM 19734 H HG13 . VAL A 1 34 ? -2.795 13.713 -4.281 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 13 -ATOM 19735 H HG21 . VAL A 1 34 ? -3.784 11.604 -4.949 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 13 -ATOM 19736 H HG22 . VAL A 1 34 ? -3.272 10.093 -4.197 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 13 -ATOM 19737 H HG23 . VAL A 1 34 ? -2.220 10.897 -5.366 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 13 -ATOM 19738 N N . GLU A 1 35 ? -0.859 11.874 -0.588 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 13 -ATOM 19739 C CA . GLU A 1 35 ? -0.225 12.630 0.488 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 13 -ATOM 19740 C C . GLU A 1 35 ? 1.117 11.995 0.891 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 13 -ATOM 19741 O O . GLU A 1 35 ? 2.150 12.684 0.964 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 13 -ATOM 19742 C CB . GLU A 1 35 ? -1.163 12.798 1.721 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 13 -ATOM 19743 C CG . GLU A 1 35 ? -1.561 11.495 2.384 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 13 -ATOM 19744 C CD . GLU A 1 35 ? -2.520 11.634 3.546 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 13 -ATOM 19745 O OE1 . GLU A 1 35 ? -3.735 11.799 3.315 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 13 -ATOM 19746 O OE2 . GLU A 1 35 ? -2.082 11.535 4.720 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 13 -ATOM 19747 H H . GLU A 1 35 ? -1.686 11.371 -0.420 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 13 -ATOM 19748 H HA . GLU A 1 35 ? -0.013 13.605 0.077 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 13 -ATOM 19749 H HB2 . GLU A 1 35 ? -0.657 13.402 2.460 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 13 -ATOM 19750 H HB3 . GLU A 1 35 ? -2.062 13.308 1.405 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 13 -ATOM 19751 H HG2 . GLU A 1 35 ? -2.006 10.881 1.619 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 13 -ATOM 19752 H HG3 . GLU A 1 35 ? -0.659 11.009 2.726 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 13 -ATOM 19753 N N . VAL A 1 36 ? 1.104 10.675 1.045 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 13 -ATOM 19754 C CA . VAL A 1 36 ? 2.228 9.926 1.561 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 13 -ATOM 19755 C C . VAL A 1 36 ? 3.461 10.022 0.670 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 13 -ATOM 19756 O O . VAL A 1 36 ? 4.556 9.989 1.163 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 13 -ATOM 19757 C CB . VAL A 1 36 ? 1.883 8.448 1.908 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 13 -ATOM 19758 C CG1 . VAL A 1 36 ? 1.848 7.540 0.686 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 13 -ATOM 19759 C CG2 . VAL A 1 36 ? 2.820 7.924 2.970 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 13 -ATOM 19760 H H . VAL A 1 36 ? 0.290 10.174 0.808 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 13 -ATOM 19761 H HA . VAL A 1 36 ? 2.492 10.426 2.481 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 13 -ATOM 19762 H HB . VAL A 1 36 ? 0.886 8.449 2.323 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 13 -ATOM 19763 H HG11 . VAL A 1 36 ? 1.143 7.941 -0.027 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 13 -ATOM 19764 H HG12 . VAL A 1 36 ? 1.543 6.546 0.978 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 13 -ATOM 19765 H HG13 . VAL A 1 36 ? 2.830 7.499 0.237 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 13 -ATOM 19766 H HG21 . VAL A 1 36 ? 2.718 8.513 3.870 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 13 -ATOM 19767 H HG22 . VAL A 1 36 ? 3.824 8.018 2.590 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 13 -ATOM 19768 H HG23 . VAL A 1 36 ? 2.602 6.887 3.177 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 13 -ATOM 19769 N N . LEU A 1 37 ? 3.261 10.181 -0.637 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 13 -ATOM 19770 C CA . LEU A 1 37 ? 4.359 10.234 -1.618 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 13 -ATOM 19771 C C . LEU A 1 37 ? 5.435 11.273 -1.285 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 13 -ATOM 19772 O O . LEU A 1 37 ? 6.585 11.123 -1.716 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 13 -ATOM 19773 C CB . LEU A 1 37 ? 3.828 10.490 -3.034 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 13 -ATOM 19774 C CG . LEU A 1 37 ? 3.083 9.343 -3.716 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 13 -ATOM 19775 C CD1 . LEU A 1 37 ? 2.547 9.794 -5.066 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 13 -ATOM 19776 C CD2 . LEU A 1 37 ? 4.002 8.143 -3.889 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 13 -ATOM 19777 H H . LEU A 1 37 ? 2.336 10.247 -0.959 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 13 -ATOM 19778 H HA . LEU A 1 37 ? 4.834 9.263 -1.614 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 13 -ATOM 19779 H HB2 . LEU A 1 37 ? 3.147 11.323 -2.968 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 13 -ATOM 19780 H HB3 . LEU A 1 37 ? 4.653 10.781 -3.667 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 13 -ATOM 19781 H HG . LEU A 1 37 ? 2.245 9.047 -3.103 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 13 -ATOM 19782 H HD11 . LEU A 1 37 ? 3.366 10.134 -5.682 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 13 -ATOM 19783 H HD12 . LEU A 1 37 ? 1.842 10.599 -4.922 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 13 -ATOM 19784 H HD13 . LEU A 1 37 ? 2.052 8.966 -5.550 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 13 -ATOM 19785 H HD21 . LEU A 1 37 ? 4.309 7.767 -2.925 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 13 -ATOM 19786 H HD22 . LEU A 1 37 ? 4.876 8.446 -4.445 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 13 -ATOM 19787 H HD23 . LEU A 1 37 ? 3.486 7.367 -4.434 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 13 -ATOM 19788 N N . GLU A 1 38 ? 5.085 12.322 -0.541 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 13 -ATOM 19789 C CA . GLU A 1 38 ? 6.087 13.314 -0.189 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 13 -ATOM 19790 C C . GLU A 1 38 ? 7.006 12.800 0.941 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 13 -ATOM 19791 O O . GLU A 1 38 ? 8.163 13.201 1.048 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 13 -ATOM 19792 C CB . GLU A 1 38 ? 5.468 14.658 0.200 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 13 -ATOM 19793 C CG . GLU A 1 38 ? 4.684 14.647 1.496 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 13 -ATOM 19794 C CD . GLU A 1 38 ? 4.262 16.023 1.908 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 13 -ATOM 19795 O OE1 . GLU A 1 38 ? 5.145 16.840 2.269 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 13 -ATOM 19796 O OE2 . GLU A 1 38 ? 3.055 16.326 1.882 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 13 -ATOM 19797 H H . GLU A 1 38 ? 4.157 12.408 -0.226 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 13 -ATOM 19798 H HA . GLU A 1 38 ? 6.701 13.452 -1.068 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 13 -ATOM 19799 H HB2 . GLU A 1 38 ? 6.258 15.388 0.294 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 13 -ATOM 19800 H HB3 . GLU A 1 38 ? 4.803 14.970 -0.592 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 13 -ATOM 19801 H HG2 . GLU A 1 38 ? 3.805 14.032 1.374 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 13 -ATOM 19802 H HG3 . GLU A 1 38 ? 5.309 14.229 2.272 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 13 -ATOM 19803 N N . SER A 1 39 ? 6.497 11.922 1.782 1.00 0.00 ? ? ? ? ? ? 36 SER A N 13 -ATOM 19804 C CA . SER A 1 39 ? 7.261 11.384 2.902 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 13 -ATOM 19805 C C . SER A 1 39 ? 6.754 9.973 3.273 1.00 0.00 ? ? ? ? ? ? 36 SER A C 13 -ATOM 19806 O O . SER A 1 39 ? 6.106 9.793 4.290 1.00 0.00 ? ? ? ? ? ? 36 SER A O 13 -ATOM 19807 C CB . SER A 1 39 ? 7.161 12.327 4.129 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 13 -ATOM 19808 O OG . SER A 1 39 ? 7.572 13.662 3.805 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 13 -ATOM 19809 H H . SER A 1 39 ? 5.589 11.574 1.643 1.00 0.00 ? ? ? ? ? ? 36 SER A H 13 -ATOM 19810 H HA . SER A 1 39 ? 8.294 11.309 2.600 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 13 -ATOM 19811 H HB2 . SER A 1 39 ? 6.137 12.357 4.473 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 13 -ATOM 19812 H HB3 . SER A 1 39 ? 7.794 11.951 4.920 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 13 -ATOM 19813 H HG . SER A 1 39 ? 7.892 13.633 2.892 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 13 -ATOM 19814 N N . PRO A 1 40 ? 6.985 8.957 2.411 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 13 -ATOM 19815 C CA . PRO A 1 40 ? 6.515 7.601 2.672 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 13 -ATOM 19816 C C . PRO A 1 40 ? 7.500 6.783 3.488 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 13 -ATOM 19817 O O . PRO A 1 40 ? 7.217 5.669 3.867 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 13 -ATOM 19818 C CB . PRO A 1 40 ? 6.351 7.022 1.273 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 13 -ATOM 19819 C CG . PRO A 1 40 ? 7.420 7.684 0.472 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 13 -ATOM 19820 C CD . PRO A 1 40 ? 7.636 9.055 1.083 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 13 -ATOM 19821 H HA . PRO A 1 40 ? 5.567 7.591 3.184 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 13 -ATOM 19822 H HB2 . PRO A 1 40 ? 6.477 5.951 1.307 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 13 -ATOM 19823 H HB3 . PRO A 1 40 ? 5.370 7.261 0.891 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 13 -ATOM 19824 H HG2 . PRO A 1 40 ? 8.328 7.103 0.525 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 13 -ATOM 19825 H HG3 . PRO A 1 40 ? 7.102 7.778 -0.557 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 13 -ATOM 19826 H HD2 . PRO A 1 40 ? 8.689 9.278 1.182 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 13 -ATOM 19827 H HD3 . PRO A 1 40 ? 7.140 9.803 0.479 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 13 -ATOM 19828 N N . ARG A 1 41 ? 8.635 7.365 3.789 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 13 -ATOM 19829 C CA . ARG A 1 41 ? 9.672 6.682 4.544 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 13 -ATOM 19830 C C . ARG A 1 41 ? 9.524 6.909 6.059 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 13 -ATOM 19831 O O . ARG A 1 41 ? 10.495 6.988 6.800 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 13 -ATOM 19832 C CB . ARG A 1 41 ? 11.079 7.033 3.978 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 13 -ATOM 19833 C CG . ARG A 1 41 ? 11.420 8.526 3.817 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 13 -ATOM 19834 C CD . ARG A 1 41 ? 11.808 9.199 5.125 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 13 -ATOM 19835 N NE . ARG A 1 41 ? 13.002 8.590 5.745 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 13 -ATOM 19836 C CZ . ARG A 1 41 ? 13.366 8.764 7.029 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 13 -ATOM 19837 N NH1 . ARG A 1 41 ? 12.618 9.510 7.836 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 13 -ATOM 19838 N NH2 . ARG A 1 41 ? 14.460 8.172 7.506 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 13 -ATOM 19839 H H . ARG A 1 41 ? 8.758 8.289 3.492 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 13 -ATOM 19840 H HA . ARG A 1 41 ? 9.494 5.628 4.383 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 13 -ATOM 19841 H HB2 . ARG A 1 41 ? 11.819 6.609 4.641 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 13 -ATOM 19842 H HB3 . ARG A 1 41 ? 11.178 6.556 3.013 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 13 -ATOM 19843 H HG2 . ARG A 1 41 ? 12.238 8.627 3.123 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 13 -ATOM 19844 H HG3 . ARG A 1 41 ? 10.555 9.027 3.408 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 13 -ATOM 19845 H HD2 . ARG A 1 41 ? 12.015 10.241 4.931 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 13 -ATOM 19846 H HD3 . ARG A 1 41 ? 10.978 9.115 5.811 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 13 -ATOM 19847 H HE . ARG A 1 41 ? 13.544 8.021 5.151 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 13 -ATOM 19848 H HH11 . ARG A 1 41 ? 11.777 9.957 7.525 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 13 -ATOM 19849 H HH12 . ARG A 1 41 ? 12.858 9.651 8.801 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 13 -ATOM 19850 H HH21 . ARG A 1 41 ? 15.026 7.584 6.921 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 13 -ATOM 19851 H HH22 . ARG A 1 41 ? 14.764 8.284 8.458 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 13 -ATOM 19852 N N . ILE A 1 42 ? 8.288 6.930 6.507 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 13 -ATOM 19853 C CA . ILE A 1 42 ? 7.976 7.112 7.906 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 13 -ATOM 19854 C C . ILE A 1 42 ? 8.099 5.761 8.603 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 13 -ATOM 19855 O O . ILE A 1 42 ? 7.200 4.912 8.512 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 13 -ATOM 19856 C CB . ILE A 1 42 ? 6.545 7.705 8.102 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 13 -ATOM 19857 C CG1 . ILE A 1 42 ? 6.449 9.075 7.413 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 13 -ATOM 19858 C CG2 . ILE A 1 42 ? 6.191 7.825 9.588 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 13 -ATOM 19859 C CD1 . ILE A 1 42 ? 5.081 9.729 7.494 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 13 -ATOM 19860 H H . ILE A 1 42 ? 7.567 6.773 5.861 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 13 -ATOM 19861 H HA . ILE A 1 42 ? 8.710 7.790 8.320 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 13 -ATOM 19862 H HB . ILE A 1 42 ? 5.837 7.033 7.640 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 13 -ATOM 19863 H HG12 . ILE A 1 42 ? 7.157 9.749 7.871 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 13 -ATOM 19864 H HG13 . ILE A 1 42 ? 6.704 8.957 6.370 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 13 -ATOM 19865 H HG21 . ILE A 1 42 ? 6.890 8.494 10.068 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 13 -ATOM 19866 H HG22 . ILE A 1 42 ? 6.247 6.851 10.049 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 13 -ATOM 19867 H HG23 . ILE A 1 42 ? 5.189 8.214 9.690 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 13 -ATOM 19868 H HD11 . ILE A 1 42 ? 5.113 10.674 6.969 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 13 -ATOM 19869 H HD12 . ILE A 1 42 ? 4.819 9.895 8.528 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 13 -ATOM 19870 H HD13 . ILE A 1 42 ? 4.345 9.086 7.032 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 13 -ATOM 19871 N N . GLU A 1 43 ? 9.224 5.571 9.282 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 13 -ATOM 19872 C CA . GLU A 1 43 ? 9.590 4.302 9.906 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 13 -ATOM 19873 C C . GLU A 1 43 ? 8.555 3.799 10.913 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 13 -ATOM 19874 O O . GLU A 1 43 ? 8.456 2.598 11.155 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 13 -ATOM 19875 C CB . GLU A 1 43 ? 10.972 4.386 10.550 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 13 -ATOM 19876 C CG . GLU A 1 43 ? 11.068 5.385 11.679 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 13 -ATOM 19877 C CD . GLU A 1 43 ? 12.416 5.414 12.310 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 13 -ATOM 19878 O OE1 . GLU A 1 43 ? 12.677 4.593 13.222 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 13 -ATOM 19879 O OE2 . GLU A 1 43 ? 13.238 6.263 11.932 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 13 -ATOM 19880 H H . GLU A 1 43 ? 9.844 6.329 9.356 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 13 -ATOM 19881 H HA . GLU A 1 43 ? 9.646 3.583 9.104 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 13 -ATOM 19882 H HB2 . GLU A 1 43 ? 11.233 3.411 10.931 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 13 -ATOM 19883 H HB3 . GLU A 1 43 ? 11.688 4.663 9.790 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 13 -ATOM 19884 H HG2 . GLU A 1 43 ? 10.858 6.368 11.286 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 13 -ATOM 19885 H HG3 . GLU A 1 43 ? 10.334 5.134 12.432 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 13 -ATOM 19886 N N . ALA A 1 44 ? 7.772 4.709 11.471 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 13 -ATOM 19887 C CA . ALA A 1 44 ? 6.723 4.357 12.420 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 13 -ATOM 19888 C C . ALA A 1 44 ? 5.630 3.525 11.750 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 13 -ATOM 19889 O O . ALA A 1 44 ? 4.895 2.802 12.413 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 13 -ATOM 19890 C CB . ALA A 1 44 ? 6.120 5.613 13.032 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 13 -ATOM 19891 H H . ALA A 1 44 ? 7.927 5.654 11.250 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 13 -ATOM 19892 H HA . ALA A 1 44 ? 7.169 3.773 13.212 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 13 -ATOM 19893 H HB1 . ALA A 1 44 ? 5.385 5.336 13.772 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 13 -ATOM 19894 H HB2 . ALA A 1 44 ? 5.646 6.198 12.257 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 13 -ATOM 19895 H HB3 . ALA A 1 44 ? 6.897 6.200 13.497 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 13 -ATOM 19896 N N . ASN A 1 45 ? 5.537 3.622 10.437 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 13 -ATOM 19897 C CA . ASN A 1 45 ? 4.518 2.900 9.688 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 13 -ATOM 19898 C C . ASN A 1 45 ? 5.079 1.639 9.064 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 13 -ATOM 19899 O O . ASN A 1 45 ? 4.370 0.936 8.341 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 13 -ATOM 19900 C CB . ASN A 1 45 ? 3.881 3.786 8.599 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 13 -ATOM 19901 C CG . ASN A 1 45 ? 3.069 4.944 9.155 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 13 -ATOM 19902 O OD1 . ASN A 1 45 ? 2.488 4.859 10.244 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 13 -ATOM 19903 N ND2 . ASN A 1 45 ? 3.022 6.033 8.422 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 13 -ATOM 19904 H H . ASN A 1 45 ? 6.184 4.178 9.945 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 13 -ATOM 19905 H HA . ASN A 1 45 ? 3.746 2.609 10.384 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 13 -ATOM 19906 H HB2 . ASN A 1 45 ? 4.664 4.200 7.983 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 13 -ATOM 19907 H HB3 . ASN A 1 45 ? 3.235 3.174 7.985 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 13 -ATOM 19908 H HD21 . ASN A 1 45 ? 3.505 6.041 7.569 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 13 -ATOM 19909 H HD22 . ASN A 1 45 ? 2.507 6.794 8.761 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 13 -ATOM 19910 N N . LYS A 1 46 ? 6.343 1.344 9.347 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 13 -ATOM 19911 C CA . LYS A 1 46 ? 6.982 0.150 8.809 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 13 -ATOM 19912 C C . LYS A 1 46 ? 6.465 -1.096 9.464 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 13 -ATOM 19913 O O . LYS A 1 46 ? 6.240 -1.135 10.679 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 13 -ATOM 19914 C CB . LYS A 1 46 ? 8.513 0.196 8.909 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 13 -ATOM 19915 C CG . LYS A 1 46 ? 9.146 1.183 7.961 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 13 -ATOM 19916 C CD . LYS A 1 46 ? 10.685 1.255 8.028 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 13 -ATOM 19917 C CE . LYS A 1 46 ? 11.405 0.014 7.458 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 13 -ATOM 19918 N NZ . LYS A 1 46 ? 11.347 -1.177 8.341 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 13 -ATOM 19919 H H . LYS A 1 46 ? 6.842 1.929 9.956 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 13 -ATOM 19920 H HA . LYS A 1 46 ? 6.713 0.100 7.764 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 13 -ATOM 19921 H HB2 . LYS A 1 46 ? 8.788 0.464 9.918 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 13 -ATOM 19922 H HB3 . LYS A 1 46 ? 8.895 -0.789 8.692 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 13 -ATOM 19923 H HG2 . LYS A 1 46 ? 8.875 0.894 6.956 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 13 -ATOM 19924 H HG3 . LYS A 1 46 ? 8.730 2.158 8.158 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 13 -ATOM 19925 H HD2 . LYS A 1 46 ? 11.007 2.116 7.462 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 13 -ATOM 19926 H HD3 . LYS A 1 46 ? 10.973 1.390 9.060 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 13 -ATOM 19927 H HE2 . LYS A 1 46 ? 10.940 -0.244 6.518 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 13 -ATOM 19928 H HE3 . LYS A 1 46 ? 12.437 0.267 7.269 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 13 -ATOM 19929 H HZ1 . LYS A 1 46 ? 11.901 -1.955 7.927 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 13 -ATOM 19930 H HZ2 . LYS A 1 46 ? 10.382 -1.542 8.458 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 13 -ATOM 19931 H HZ3 . LYS A 1 46 ? 11.742 -0.976 9.281 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 13 -ATOM 19932 N N . LEU A 1 47 ? 6.271 -2.099 8.663 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 13 -ATOM 19933 C CA . LEU A 1 47 ? 5.803 -3.361 9.132 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 13 -ATOM 19934 C C . LEU A 1 47 ? 6.932 -4.149 9.727 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 13 -ATOM 19935 O O . LEU A 1 47 ? 8.054 -4.160 9.198 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 13 -ATOM 19936 C CB . LEU A 1 47 ? 5.152 -4.167 8.020 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 13 -ATOM 19937 C CG . LEU A 1 47 ? 3.909 -3.581 7.386 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 13 -ATOM 19938 C CD1 . LEU A 1 47 ? 3.318 -4.554 6.396 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 13 -ATOM 19939 C CD2 . LEU A 1 47 ? 2.900 -3.229 8.438 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 13 -ATOM 19940 H H . LEU A 1 47 ? 6.457 -1.968 7.706 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 13 -ATOM 19941 H HA . LEU A 1 47 ? 5.067 -3.178 9.899 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 13 -ATOM 19942 H HB2 . LEU A 1 47 ? 5.884 -4.275 7.235 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 13 -ATOM 19943 H HB3 . LEU A 1 47 ? 4.909 -5.146 8.402 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 13 -ATOM 19944 H HG . LEU A 1 47 ? 4.174 -2.679 6.852 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 13 -ATOM 19945 H HD11 . LEU A 1 47 ? 2.418 -4.129 5.979 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 13 -ATOM 19946 H HD12 . LEU A 1 47 ? 3.079 -5.479 6.900 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 13 -ATOM 19947 H HD13 . LEU A 1 47 ? 4.030 -4.741 5.606 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 13 -ATOM 19948 H HD21 . LEU A 1 47 ? 2.701 -4.090 9.055 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 13 -ATOM 19949 H HD22 . LEU A 1 47 ? 1.987 -2.921 7.950 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 13 -ATOM 19950 H HD23 . LEU A 1 47 ? 3.275 -2.420 9.047 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 13 -ATOM 19951 N N . ARG A 1 48 ? 6.642 -4.771 10.813 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 13 -ATOM 19952 C CA . ARG A 1 48 ? 7.567 -5.589 11.530 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 13 -ATOM 19953 C C . ARG A 1 48 ? 7.833 -6.900 10.783 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 13 -ATOM 19954 O O . ARG A 1 48 ? 6.963 -7.779 10.717 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 13 -ATOM 19955 C CB . ARG A 1 48 ? 6.990 -5.853 12.913 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 13 -ATOM 19956 C CG . ARG A 1 48 ? 7.746 -6.848 13.744 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 13 -ATOM 19957 C CD . ARG A 1 48 ? 7.063 -7.047 15.068 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 13 -ATOM 19958 N NE . ARG A 1 48 ? 7.666 -8.132 15.818 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 13 -ATOM 19959 C CZ . ARG A 1 48 ? 7.377 -8.448 17.072 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 13 -ATOM 19960 N NH1 . ARG A 1 48 ? 6.524 -7.693 17.779 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 13 -ATOM 19961 N NH2 . ARG A 1 48 ? 7.946 -9.511 17.620 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 13 -ATOM 19962 H H . ARG A 1 48 ? 5.734 -4.677 11.173 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 13 -ATOM 19963 H HA . ARG A 1 48 ? 8.492 -5.045 11.645 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 13 -ATOM 19964 H HB2 . ARG A 1 48 ? 6.960 -4.922 13.458 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 13 -ATOM 19965 H HB3 . ARG A 1 48 ? 5.979 -6.212 12.792 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 13 -ATOM 19966 H HG2 . ARG A 1 48 ? 7.790 -7.791 13.218 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 13 -ATOM 19967 H HG3 . ARG A 1 48 ? 8.745 -6.477 13.912 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 13 -ATOM 19968 H HD2 . ARG A 1 48 ? 7.140 -6.137 15.644 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 13 -ATOM 19969 H HD3 . ARG A 1 48 ? 6.023 -7.278 14.896 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 13 -ATOM 19970 H HE . ARG A 1 48 ? 8.318 -8.667 15.306 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 13 -ATOM 19971 H HH11 . ARG A 1 48 ? 6.085 -6.882 17.378 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 13 -ATOM 19972 H HH12 . ARG A 1 48 ? 6.284 -7.879 18.733 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 13 -ATOM 19973 H HH21 . ARG A 1 48 ? 8.593 -10.069 17.091 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 13 -ATOM 19974 H HH22 . ARG A 1 48 ? 7.766 -9.831 18.552 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 13 -ATOM 19975 N N . GLY A 1 49 ? 9.007 -7.003 10.193 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 13 -ATOM 19976 C CA . GLY A 1 49 ? 9.393 -8.215 9.518 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 13 -ATOM 19977 C C . GLY A 1 49 ? 8.995 -8.236 8.075 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 13 -ATOM 19978 O O . GLY A 1 49 ? 8.702 -9.300 7.521 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 13 -ATOM 19979 H H . GLY A 1 49 ? 9.631 -6.245 10.209 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 13 -ATOM 19980 H HA2 . GLY A 1 49 ? 10.462 -8.341 9.587 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 13 -ATOM 19981 H HA3 . GLY A 1 49 ? 8.903 -9.039 10.012 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 13 -ATOM 19982 N N . MET A 1 50 ? 8.990 -7.090 7.458 1.00 0.00 ? ? ? ? ? ? 47 MET A N 13 -ATOM 19983 C CA . MET A 1 50 ? 8.609 -6.980 6.068 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 13 -ATOM 19984 C C . MET A 1 50 ? 9.586 -6.075 5.352 1.00 0.00 ? ? ? ? ? ? 47 MET A C 13 -ATOM 19985 O O . MET A 1 50 ? 9.909 -4.999 5.856 1.00 0.00 ? ? ? ? ? ? 47 MET A O 13 -ATOM 19986 C CB . MET A 1 50 ? 7.195 -6.422 5.935 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 13 -ATOM 19987 C CG . MET A 1 50 ? 6.090 -7.331 6.476 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 13 -ATOM 19988 S SD . MET A 1 50 ? 5.916 -8.871 5.545 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 13 -ATOM 19989 C CE . MET A 1 50 ? 5.435 -8.238 3.937 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 13 -ATOM 19990 H H . MET A 1 50 ? 9.284 -6.287 7.940 1.00 0.00 ? ? ? ? ? ? 47 MET A H 13 -ATOM 19991 H HA . MET A 1 50 ? 8.646 -7.968 5.634 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 13 -ATOM 19992 H HB2 . MET A 1 50 ? 7.175 -5.487 6.472 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 13 -ATOM 19993 H HB3 . MET A 1 50 ? 7.003 -6.225 4.891 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 13 -ATOM 19994 H HG2 . MET A 1 50 ? 6.321 -7.579 7.501 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 13 -ATOM 19995 H HG3 . MET A 1 50 ? 5.153 -6.797 6.442 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 13 -ATOM 19996 H HE1 . MET A 1 50 ? 6.224 -7.620 3.535 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 13 -ATOM 19997 H HE2 . MET A 1 50 ? 4.537 -7.646 4.041 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 13 -ATOM 19998 H HE3 . MET A 1 50 ? 5.243 -9.062 3.266 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 13 -ATOM 19999 N N . PRO A 1 51 ? 10.082 -6.487 4.185 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 13 -ATOM 20000 C CA . PRO A 1 51 ? 11.059 -5.709 3.423 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 13 -ATOM 20001 C C . PRO A 1 51 ? 10.499 -4.373 2.898 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 13 -ATOM 20002 O O . PRO A 1 51 ? 9.745 -4.341 1.899 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 13 -ATOM 20003 C CB . PRO A 1 51 ? 11.442 -6.636 2.260 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 13 -ATOM 20004 C CG . PRO A 1 51 ? 10.301 -7.577 2.129 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 13 -ATOM 20005 C CD . PRO A 1 51 ? 9.747 -7.758 3.511 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 13 -ATOM 20006 H HA . PRO A 1 51 ? 11.933 -5.501 4.022 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 13 -ATOM 20007 H HB2 . PRO A 1 51 ? 11.583 -6.055 1.362 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 13 -ATOM 20008 H HB3 . PRO A 1 51 ? 12.354 -7.165 2.495 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 13 -ATOM 20009 H HG2 . PRO A 1 51 ? 9.552 -7.150 1.478 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 13 -ATOM 20010 H HG3 . PRO A 1 51 ? 10.648 -8.521 1.736 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 13 -ATOM 20011 H HD2 . PRO A 1 51 ? 8.677 -7.899 3.467 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 13 -ATOM 20012 H HD3 . PRO A 1 51 ? 10.220 -8.594 4.005 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 13 -ATOM 20013 N N . ASP A 1 52 ? 10.812 -3.296 3.628 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 13 -ATOM 20014 C CA . ASP A 1 52 ? 10.462 -1.900 3.265 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 13 -ATOM 20015 C C . ASP A 1 52 ? 8.959 -1.708 3.158 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 13 -ATOM 20016 O O . ASP A 1 52 ? 8.497 -0.868 2.397 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 13 -ATOM 20017 C CB . ASP A 1 52 ? 11.096 -1.479 1.914 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 13 -ATOM 20018 C CG . ASP A 1 52 ? 12.599 -1.576 1.860 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 13 -ATOM 20019 O OD1 . ASP A 1 52 ? 13.300 -0.740 2.471 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 13 -ATOM 20020 O OD2 . ASP A 1 52 ? 13.118 -2.493 1.186 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 13 -ATOM 20021 H H . ASP A 1 52 ? 11.296 -3.444 4.471 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 13 -ATOM 20022 H HA . ASP A 1 52 ? 10.842 -1.250 4.038 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 13 -ATOM 20023 H HB2 . ASP A 1 52 ? 10.698 -2.108 1.134 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 13 -ATOM 20024 H HB3 . ASP A 1 52 ? 10.811 -0.457 1.707 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 13 -ATOM 20025 N N . CYS A 1 53 ? 8.192 -2.428 3.940 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 13 -ATOM 20026 C CA . CYS A 1 53 ? 6.760 -2.330 3.811 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 13 -ATOM 20027 C C . CYS A 1 53 ? 6.184 -1.427 4.882 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 13 -ATOM 20028 O O . CYS A 1 53 ? 6.623 -1.451 6.029 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 13 -ATOM 20029 C CB . CYS A 1 53 ? 6.127 -3.713 3.868 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 13 -ATOM 20030 S SG . CYS A 1 53 ? 6.785 -4.871 2.637 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 13 -ATOM 20031 H H . CYS A 1 53 ? 8.585 -2.998 4.634 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 13 -ATOM 20032 H HA . CYS A 1 53 ? 6.542 -1.891 2.851 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 13 -ATOM 20033 H HB2 . CYS A 1 53 ? 6.298 -4.138 4.845 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 13 -ATOM 20034 H HB3 . CYS A 1 53 ? 5.064 -3.623 3.700 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 13 -ATOM 20035 H HG . CYS A 1 53 ? 7.974 -4.416 2.255 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 13 -ATOM 20036 N N . TYR A 1 54 ? 5.203 -0.655 4.496 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 13 -ATOM 20037 C CA . TYR A 1 54 ? 4.551 0.306 5.352 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 13 -ATOM 20038 C C . TYR A 1 54 ? 3.055 0.120 5.198 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 13 -ATOM 20039 O O . TYR A 1 54 ? 2.597 -0.454 4.192 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 13 -ATOM 20040 C CB . TYR A 1 54 ? 4.903 1.755 4.938 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 13 -ATOM 20041 C CG . TYR A 1 54 ? 6.379 2.144 4.944 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 13 -ATOM 20042 C CD1 . TYR A 1 54 ? 7.277 1.594 4.041 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 13 -ATOM 20043 C CD2 . TYR A 1 54 ? 6.858 3.092 5.828 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 13 -ATOM 20044 C CE1 . TYR A 1 54 ? 8.602 1.970 4.023 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 13 -ATOM 20045 C CE2 . TYR A 1 54 ? 8.187 3.473 5.815 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 13 -ATOM 20046 C CZ . TYR A 1 54 ? 9.052 2.906 4.911 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 13 -ATOM 20047 O OH . TYR A 1 54 ? 10.375 3.284 4.893 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 13 -ATOM 20048 H H . TYR A 1 54 ? 4.872 -0.729 3.572 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 13 -ATOM 20049 H HA . TYR A 1 54 ? 4.849 0.137 6.376 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 13 -ATOM 20050 H HB2 . TYR A 1 54 ? 4.536 1.927 3.937 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 13 -ATOM 20051 H HB3 . TYR A 1 54 ? 4.385 2.423 5.612 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 13 -ATOM 20052 H HD1 . TYR A 1 54 ? 6.922 0.851 3.342 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 13 -ATOM 20053 H HD2 . TYR A 1 54 ? 6.179 3.539 6.539 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 13 -ATOM 20054 H HE1 . TYR A 1 54 ? 9.278 1.524 3.310 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 13 -ATOM 20055 H HE2 . TYR A 1 54 ? 8.542 4.214 6.516 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 13 -ATOM 20056 H HH . TYR A 1 54 ? 10.644 3.328 3.968 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 13 -ATOM 20057 N N . LYS A 1 55 ? 2.300 0.599 6.150 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 13 -ATOM 20058 C CA . LYS A 1 55 ? 0.858 0.483 6.109 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 13 -ATOM 20059 C C . LYS A 1 55 ? 0.185 1.819 6.376 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 13 -ATOM 20060 O O . LYS A 1 55 ? 0.703 2.661 7.123 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 13 -ATOM 20061 C CB . LYS A 1 55 ? 0.365 -0.550 7.136 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 13 -ATOM 20062 C CG . LYS A 1 55 ? 0.827 -0.258 8.558 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 13 -ATOM 20063 C CD . LYS A 1 55 ? 0.280 -1.256 9.560 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 13 -ATOM 20064 C CE . LYS A 1 55 ? 0.991 -1.108 10.892 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 13 -ATOM 20065 N NZ . LYS A 1 55 ? 0.461 -2.018 11.924 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 13 -ATOM 20066 H H . LYS A 1 55 ? 2.721 1.052 6.913 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 13 -ATOM 20067 H HA . LYS A 1 55 ? 0.578 0.140 5.124 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 13 -ATOM 20068 H HB2 . LYS A 1 55 ? -0.714 -0.566 7.126 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 13 -ATOM 20069 H HB3 . LYS A 1 55 ? 0.733 -1.525 6.853 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 13 -ATOM 20070 H HG2 . LYS A 1 55 ? 1.906 -0.281 8.592 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 13 -ATOM 20071 H HG3 . LYS A 1 55 ? 0.482 0.731 8.823 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 13 -ATOM 20072 H HD2 . LYS A 1 55 ? -0.775 -1.073 9.701 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 13 -ATOM 20073 H HD3 . LYS A 1 55 ? 0.431 -2.259 9.190 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 13 -ATOM 20074 H HE2 . LYS A 1 55 ? 2.039 -1.328 10.746 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 13 -ATOM 20075 H HE3 . LYS A 1 55 ? 0.889 -0.086 11.224 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 13 -ATOM 20076 H HZ1 . LYS A 1 55 ? 1.028 -1.926 12.793 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 13 -ATOM 20077 H HZ2 . LYS A 1 55 ? 0.474 -3.019 11.642 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 13 -ATOM 20078 H HZ3 . LYS A 1 55 ? -0.510 -1.738 12.165 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 13 -ATOM 20079 N N . ILE A 1 56 ? -0.938 2.015 5.749 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 13 -ATOM 20080 C CA . ILE A 1 56 ? -1.786 3.155 5.999 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 13 -ATOM 20081 C C . ILE A 1 56 ? -3.158 2.625 6.346 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 13 -ATOM 20082 O O . ILE A 1 56 ? -3.605 1.635 5.755 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 13 -ATOM 20083 C CB . ILE A 1 56 ? -1.898 4.120 4.767 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 13 -ATOM 20084 C CG1 . ILE A 1 56 ? -0.527 4.714 4.409 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 13 -ATOM 20085 C CG2 . ILE A 1 56 ? -2.920 5.242 5.029 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 13 -ATOM 20086 C CD1 . ILE A 1 56 ? -0.552 5.662 3.224 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 13 -ATOM 20087 H H . ILE A 1 56 ? -1.227 1.354 5.079 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 13 -ATOM 20088 H HA . ILE A 1 56 ? -1.386 3.690 6.848 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 13 -ATOM 20089 H HB . ILE A 1 56 ? -2.258 3.538 3.930 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 13 -ATOM 20090 H HG12 . ILE A 1 56 ? -0.154 5.267 5.257 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 13 -ATOM 20091 H HG13 . ILE A 1 56 ? 0.159 3.910 4.182 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 13 -ATOM 20092 H HG21 . ILE A 1 56 ? -2.963 5.903 4.177 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 13 -ATOM 20093 H HG22 . ILE A 1 56 ? -2.635 5.809 5.901 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 13 -ATOM 20094 H HG23 . ILE A 1 56 ? -3.901 4.821 5.195 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 13 -ATOM 20095 H HD11 . ILE A 1 56 ? 0.451 6.005 3.018 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 13 -ATOM 20096 H HD12 . ILE A 1 56 ? -1.172 6.512 3.466 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 13 -ATOM 20097 H HD13 . ILE A 1 56 ? -0.953 5.156 2.357 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 13 -ATOM 20098 N N . LYS A 1 57 ? -3.799 3.229 7.308 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 13 -ATOM 20099 C CA . LYS A 1 57 ? -5.129 2.840 7.661 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 13 -ATOM 20100 C C . LYS A 1 57 ? -6.080 3.972 7.347 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 13 -ATOM 20101 O O . LYS A 1 57 ? -5.816 5.139 7.678 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 13 -ATOM 20102 C CB . LYS A 1 57 ? -5.293 2.347 9.130 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 13 -ATOM 20103 C CG . LYS A 1 57 ? -4.996 3.367 10.220 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 13 -ATOM 20104 C CD . LYS A 1 57 ? -3.512 3.586 10.427 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 13 -ATOM 20105 C CE . LYS A 1 57 ? -3.289 4.777 11.303 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 13 -ATOM 20106 N NZ . LYS A 1 57 ? -1.860 5.025 11.563 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 13 -ATOM 20107 H H . LYS A 1 57 ? -3.378 3.992 7.757 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 13 -ATOM 20108 H HA . LYS A 1 57 ? -5.363 2.028 6.992 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 13 -ATOM 20109 H HB2 . LYS A 1 57 ? -6.310 2.013 9.266 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 13 -ATOM 20110 H HB3 . LYS A 1 57 ? -4.637 1.500 9.272 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 13 -ATOM 20111 H HG2 . LYS A 1 57 ? -5.449 4.308 9.945 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 13 -ATOM 20112 H HG3 . LYS A 1 57 ? -5.432 3.021 11.146 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 13 -ATOM 20113 H HD2 . LYS A 1 57 ? -3.096 2.715 10.912 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 13 -ATOM 20114 H HD3 . LYS A 1 57 ? -3.013 3.741 9.484 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 13 -ATOM 20115 H HE2 . LYS A 1 57 ? -3.710 5.621 10.777 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 13 -ATOM 20116 H HE3 . LYS A 1 57 ? -3.818 4.624 12.231 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 13 -ATOM 20117 H HZ1 . LYS A 1 57 ? -1.336 5.155 10.675 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 13 -ATOM 20118 H HZ2 . LYS A 1 57 ? -1.451 4.238 12.109 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 13 -ATOM 20119 H HZ3 . LYS A 1 57 ? -1.768 5.884 12.142 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 13 -ATOM 20120 N N . LEU A 1 58 ? -7.145 3.650 6.674 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 13 -ATOM 20121 C CA . LEU A 1 58 ? -8.119 4.622 6.294 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 13 -ATOM 20122 C C . LEU A 1 58 ? -8.993 4.977 7.468 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 13 -ATOM 20123 O O . LEU A 1 58 ? -9.952 4.252 7.809 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 13 -ATOM 20124 C CB . LEU A 1 58 ? -8.946 4.159 5.082 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 13 -ATOM 20125 C CG . LEU A 1 58 ? -9.951 5.166 4.508 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 13 -ATOM 20126 C CD1 . LEU A 1 58 ? -9.291 6.512 4.291 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 13 -ATOM 20127 C CD2 . LEU A 1 58 ? -10.498 4.631 3.196 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 13 -ATOM 20128 H H . LEU A 1 58 ? -7.267 2.705 6.424 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 13 -ATOM 20129 H HA . LEU A 1 58 ? -7.560 5.502 6.013 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 13 -ATOM 20130 H HB2 . LEU A 1 58 ? -8.257 3.892 4.296 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 13 -ATOM 20131 H HB3 . LEU A 1 58 ? -9.488 3.271 5.374 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 13 -ATOM 20132 H HG . LEU A 1 58 ? -10.792 5.353 5.154 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 13 -ATOM 20133 H HD11 . LEU A 1 58 ? -8.810 6.823 5.206 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 13 -ATOM 20134 H HD12 . LEU A 1 58 ? -10.060 7.238 4.081 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 13 -ATOM 20135 H HD13 . LEU A 1 58 ? -8.565 6.458 3.493 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 13 -ATOM 20136 H HD21 . LEU A 1 58 ? -11.243 5.313 2.814 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 13 -ATOM 20137 H HD22 . LEU A 1 58 ? -10.942 3.660 3.359 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 13 -ATOM 20138 H HD23 . LEU A 1 58 ? -9.692 4.546 2.483 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 13 -ATOM 20139 N N . ARG A 1 59 ? -8.614 6.066 8.101 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 13 -ATOM 20140 C CA . ARG A 1 59 ? -9.273 6.629 9.262 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 13 -ATOM 20141 C C . ARG A 1 59 ? -10.648 7.179 8.871 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 13 -ATOM 20142 O O . ARG A 1 59 ? -10.807 8.385 8.647 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 13 -ATOM 20143 C CB . ARG A 1 59 ? -8.390 7.749 9.837 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 13 -ATOM 20144 C CG . ARG A 1 59 ? -6.982 7.299 10.239 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 13 -ATOM 20145 C CD . ARG A 1 59 ? -6.063 8.491 10.517 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 13 -ATOM 20146 N NE . ARG A 1 59 ? -6.600 9.387 11.542 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 13 -ATOM 20147 C CZ . ARG A 1 59 ? -6.337 10.700 11.631 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 13 -ATOM 20148 N NH1 . ARG A 1 59 ? -5.404 11.258 10.860 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 13 -ATOM 20149 N NH2 . ARG A 1 59 ? -6.969 11.441 12.529 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 13 -ATOM 20150 H H . ARG A 1 59 ? -7.809 6.510 7.759 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 13 -ATOM 20151 H HA . ARG A 1 59 ? -9.388 5.855 10.007 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 13 -ATOM 20152 H HB2 . ARG A 1 59 ? -8.290 8.518 9.086 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 13 -ATOM 20153 H HB3 . ARG A 1 59 ? -8.874 8.170 10.707 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 13 -ATOM 20154 H HG2 . ARG A 1 59 ? -7.047 6.688 11.126 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 13 -ATOM 20155 H HG3 . ARG A 1 59 ? -6.566 6.714 9.432 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 13 -ATOM 20156 H HD2 . ARG A 1 59 ? -5.104 8.120 10.850 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 13 -ATOM 20157 H HD3 . ARG A 1 59 ? -5.931 9.045 9.599 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 13 -ATOM 20158 H HE . ARG A 1 59 ? -7.216 8.949 12.171 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 13 -ATOM 20159 H HH11 . ARG A 1 59 ? -4.863 10.733 10.197 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 13 -ATOM 20160 H HH12 . ARG A 1 59 ? -5.199 12.240 10.919 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 13 -ATOM 20161 H HH21 . ARG A 1 59 ? -7.648 11.082 13.172 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 13 -ATOM 20162 H HH22 . ARG A 1 59 ? -6.789 12.429 12.594 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 13 -ATOM 20163 N N . SER A 1 60 ? -11.599 6.268 8.740 1.00 0.00 ? ? ? ? ? ? 57 SER A N 13 -ATOM 20164 C CA . SER A 1 60 ? -12.963 6.534 8.318 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 13 -ATOM 20165 C C . SER A 1 60 ? -13.667 5.187 8.125 1.00 0.00 ? ? ? ? ? ? 57 SER A C 13 -ATOM 20166 O O . SER A 1 60 ? -14.744 4.951 8.659 1.00 0.00 ? ? ? ? ? ? 57 SER A O 13 -ATOM 20167 C CB . SER A 1 60 ? -12.990 7.328 6.974 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 13 -ATOM 20168 O OG . SER A 1 60 ? -14.309 7.689 6.588 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 13 -ATOM 20169 H H . SER A 1 60 ? -11.372 5.341 8.972 1.00 0.00 ? ? ? ? ? ? 57 SER A H 13 -ATOM 20170 H HA . SER A 1 60 ? -13.460 7.101 9.090 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 13 -ATOM 20171 H HB2 . SER A 1 60 ? -12.409 8.231 7.083 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 13 -ATOM 20172 H HB3 . SER A 1 60 ? -12.553 6.716 6.197 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 13 -ATOM 20173 H HG . SER A 1 60 ? -14.709 8.147 7.338 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 13 -ATOM 20174 N N . SER A 1 61 ? -13.028 4.293 7.383 1.00 0.00 ? ? ? ? ? ? 58 SER A N 13 -ATOM 20175 C CA . SER A 1 61 ? -13.633 3.015 7.061 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 13 -ATOM 20176 C C . SER A 1 61 ? -12.927 1.835 7.752 1.00 0.00 ? ? ? ? ? ? 58 SER A C 13 -ATOM 20177 O O . SER A 1 61 ? -13.533 0.790 7.965 1.00 0.00 ? ? ? ? ? ? 58 SER A O 13 -ATOM 20178 C CB . SER A 1 61 ? -13.663 2.837 5.543 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 13 -ATOM 20179 O OG . SER A 1 61 ? -14.294 3.957 4.925 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 13 -ATOM 20180 H H . SER A 1 61 ? -12.143 4.510 7.025 1.00 0.00 ? ? ? ? ? ? 58 SER A H 13 -ATOM 20181 H HA . SER A 1 61 ? -14.652 3.042 7.416 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 13 -ATOM 20182 H HB2 . SER A 1 61 ? -12.651 2.759 5.173 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 13 -ATOM 20183 H HB3 . SER A 1 61 ? -14.214 1.943 5.294 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 13 -ATOM 20184 H HG . SER A 1 61 ? -14.993 4.258 5.522 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 13 -ATOM 20185 N N . GLY A 1 62 ? -11.666 2.008 8.121 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 13 -ATOM 20186 C CA . GLY A 1 62 ? -10.949 0.927 8.788 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 13 -ATOM 20187 C C . GLY A 1 62 ? -10.233 0.014 7.812 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 13 -ATOM 20188 O O . GLY A 1 62 ? -9.879 -1.129 8.140 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 13 -ATOM 20189 H H . GLY A 1 62 ? -11.210 2.866 7.980 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 13 -ATOM 20190 H HA2 . GLY A 1 62 ? -10.222 1.353 9.465 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 13 -ATOM 20191 H HA3 . GLY A 1 62 ? -11.656 0.342 9.358 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 13 -ATOM 20192 N N . TYR A 1 63 ? -10.026 0.500 6.615 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 13 -ATOM 20193 C CA . TYR A 1 63 ? -9.308 -0.251 5.609 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 13 -ATOM 20194 C C . TYR A 1 63 ? -7.833 0.012 5.721 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 13 -ATOM 20195 O O . TYR A 1 63 ? -7.426 1.067 6.173 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 13 -ATOM 20196 C CB . TYR A 1 63 ? -9.824 0.058 4.200 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 13 -ATOM 20197 C CG . TYR A 1 63 ? -11.094 -0.677 3.856 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 13 -ATOM 20198 C CD1 . TYR A 1 63 ? -12.309 -0.331 4.429 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 13 -ATOM 20199 C CD2 . TYR A 1 63 ? -11.072 -1.732 2.959 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 13 -ATOM 20200 C CE1 . TYR A 1 63 ? -13.462 -1.018 4.116 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 13 -ATOM 20201 C CE2 . TYR A 1 63 ? -12.216 -2.420 2.639 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 13 -ATOM 20202 C CZ . TYR A 1 63 ? -13.405 -2.062 3.219 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 13 -ATOM 20203 O OH . TYR A 1 63 ? -14.538 -2.755 2.912 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 13 -ATOM 20204 H H . TYR A 1 63 ? -10.345 1.401 6.409 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 13 -ATOM 20205 H HA . TYR A 1 63 ? -9.476 -1.298 5.818 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 13 -ATOM 20206 H HB2 . TYR A 1 63 ? -10.031 1.115 4.118 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 13 -ATOM 20207 H HB3 . TYR A 1 63 ? -9.069 -0.216 3.477 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 13 -ATOM 20208 H HD1 . TYR A 1 63 ? -12.344 0.490 5.130 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 13 -ATOM 20209 H HD2 . TYR A 1 63 ? -10.132 -2.013 2.505 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 13 -ATOM 20210 H HE1 . TYR A 1 63 ? -14.401 -0.740 4.569 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 13 -ATOM 20211 H HE2 . TYR A 1 63 ? -12.178 -3.239 1.937 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 13 -ATOM 20212 H HH . TYR A 1 63 ? -15.214 -2.105 2.688 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 13 -ATOM 20213 N N . ARG A 1 64 ? -7.045 -0.950 5.357 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 13 -ATOM 20214 C CA . ARG A 1 64 ? -5.613 -0.844 5.420 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 13 -ATOM 20215 C C . ARG A 1 64 ? -5.025 -1.093 4.061 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 13 -ATOM 20216 O O . ARG A 1 64 ? -5.572 -1.860 3.256 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 13 -ATOM 20217 C CB . ARG A 1 64 ? -4.981 -1.824 6.434 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 13 -ATOM 20218 C CG . ARG A 1 64 ? -5.086 -1.443 7.916 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 13 -ATOM 20219 C CD . ARG A 1 64 ? -6.505 -1.480 8.468 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 13 -ATOM 20220 N NE . ARG A 1 64 ? -6.506 -1.191 9.902 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 13 -ATOM 20221 C CZ . ARG A 1 64 ? -7.392 -1.636 10.793 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 13 -ATOM 20222 N NH1 . ARG A 1 64 ? -8.544 -2.168 10.396 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 13 -ATOM 20223 N NH2 . ARG A 1 64 ? -7.158 -1.463 12.085 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 13 -ATOM 20224 H H . ARG A 1 64 ? -7.416 -1.773 4.964 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 13 -ATOM 20225 H HA . ARG A 1 64 ? -5.373 0.165 5.717 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 13 -ATOM 20226 H HB2 . ARG A 1 64 ? -5.460 -2.785 6.313 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 13 -ATOM 20227 H HB3 . ARG A 1 64 ? -3.936 -1.935 6.184 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 13 -ATOM 20228 H HG2 . ARG A 1 64 ? -4.486 -2.130 8.493 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 13 -ATOM 20229 H HG3 . ARG A 1 64 ? -4.688 -0.446 8.038 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 13 -ATOM 20230 H HD2 . ARG A 1 64 ? -7.101 -0.738 7.954 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 13 -ATOM 20231 H HD3 . ARG A 1 64 ? -6.926 -2.461 8.304 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 13 -ATOM 20232 H HE . ARG A 1 64 ? -5.725 -0.673 10.209 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 13 -ATOM 20233 H HH11 . ARG A 1 64 ? -8.795 -2.232 9.428 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 13 -ATOM 20234 H HH12 . ARG A 1 64 ? -9.211 -2.548 11.043 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 13 -ATOM 20235 H HH21 . ARG A 1 64 ? -6.326 -0.998 12.400 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 13 -ATOM 20236 H HH22 . ARG A 1 64 ? -7.788 -1.803 12.787 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 13 -ATOM 20237 N N . LEU A 1 65 ? -3.948 -0.448 3.800 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 13 -ATOM 20238 C CA . LEU A 1 65 ? -3.253 -0.595 2.567 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 13 -ATOM 20239 C C . LEU A 1 65 ? -1.782 -0.798 2.892 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 13 -ATOM 20240 O O . LEU A 1 65 ? -1.209 -0.039 3.687 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 13 -ATOM 20241 C CB . LEU A 1 65 ? -3.529 0.650 1.683 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 13 -ATOM 20242 C CG . LEU A 1 65 ? -2.977 0.662 0.248 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 13 -ATOM 20243 C CD1 . LEU A 1 65 ? -3.704 1.703 -0.572 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 13 -ATOM 20244 C CD2 . LEU A 1 65 ? -1.509 0.994 0.242 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 13 -ATOM 20245 H H . LEU A 1 65 ? -3.586 0.173 4.470 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 13 -ATOM 20246 H HA . LEU A 1 65 ? -3.629 -1.480 2.075 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 13 -ATOM 20247 H HB2 . LEU A 1 65 ? -4.599 0.773 1.621 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 13 -ATOM 20248 H HB3 . LEU A 1 65 ? -3.130 1.509 2.203 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 13 -ATOM 20249 H HG . LEU A 1 65 ? -3.115 -0.307 -0.209 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 13 -ATOM 20250 H HD11 . LEU A 1 65 ? -3.290 1.717 -1.569 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 13 -ATOM 20251 H HD12 . LEU A 1 65 ? -3.585 2.673 -0.112 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 13 -ATOM 20252 H HD13 . LEU A 1 65 ? -4.752 1.448 -0.621 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 13 -ATOM 20253 H HD21 . LEU A 1 65 ? -0.962 0.236 0.786 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 13 -ATOM 20254 H HD22 . LEU A 1 65 ? -1.373 1.950 0.728 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 13 -ATOM 20255 H HD23 . LEU A 1 65 ? -1.153 1.048 -0.775 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 13 -ATOM 20256 N N . VAL A 1 66 ? -1.199 -1.832 2.323 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 13 -ATOM 20257 C CA . VAL A 1 66 ? 0.180 -2.195 2.578 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 13 -ATOM 20258 C C . VAL A 1 66 ? 0.999 -2.067 1.302 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 13 -ATOM 20259 O O . VAL A 1 66 ? 0.645 -2.636 0.247 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 13 -ATOM 20260 C CB . VAL A 1 66 ? 0.292 -3.645 3.138 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 13 -ATOM 20261 C CG1 . VAL A 1 66 ? 1.746 -4.063 3.315 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 13 -ATOM 20262 C CG2 . VAL A 1 66 ? -0.437 -3.755 4.464 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 13 -ATOM 20263 H H . VAL A 1 66 ? -1.701 -2.377 1.674 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 13 -ATOM 20264 H HA . VAL A 1 66 ? 0.573 -1.508 3.314 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 13 -ATOM 20265 H HB . VAL A 1 66 ? -0.177 -4.320 2.438 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 13 -ATOM 20266 H HG11 . VAL A 1 66 ? 2.247 -4.061 2.358 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 13 -ATOM 20267 H HG12 . VAL A 1 66 ? 1.783 -5.054 3.746 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 13 -ATOM 20268 H HG13 . VAL A 1 66 ? 2.238 -3.369 3.980 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 13 -ATOM 20269 H HG21 . VAL A 1 66 ? -1.479 -3.509 4.322 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 13 -ATOM 20270 H HG22 . VAL A 1 66 ? 0.001 -3.069 5.173 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 13 -ATOM 20271 H HG23 . VAL A 1 66 ? -0.351 -4.763 4.839 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 13 -ATOM 20272 N N . TYR A 1 67 ? 2.074 -1.342 1.393 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 13 -ATOM 20273 C CA . TYR A 1 67 ? 2.928 -1.102 0.265 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 13 -ATOM 20274 C C . TYR A 1 67 ? 4.382 -1.201 0.664 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 13 -ATOM 20275 O O . TYR A 1 67 ? 4.705 -1.101 1.838 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 13 -ATOM 20276 C CB . TYR A 1 67 ? 2.628 0.275 -0.374 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 13 -ATOM 20277 C CG . TYR A 1 67 ? 2.711 1.475 0.556 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 13 -ATOM 20278 C CD1 . TYR A 1 67 ? 3.913 1.903 1.100 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 13 -ATOM 20279 C CD2 . TYR A 1 67 ? 1.582 2.195 0.852 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 13 -ATOM 20280 C CE1 . TYR A 1 67 ? 3.968 3.005 1.915 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 13 -ATOM 20281 C CE2 . TYR A 1 67 ? 1.628 3.292 1.663 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 13 -ATOM 20282 C CZ . TYR A 1 67 ? 2.826 3.695 2.195 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 13 -ATOM 20283 O OH . TYR A 1 67 ? 2.878 4.785 3.014 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 13 -ATOM 20284 H H . TYR A 1 67 ? 2.324 -0.966 2.268 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 13 -ATOM 20285 H HA . TYR A 1 67 ? 2.722 -1.868 -0.466 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 13 -ATOM 20286 H HB2 . TYR A 1 67 ? 3.301 0.456 -1.197 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 13 -ATOM 20287 H HB3 . TYR A 1 67 ? 1.620 0.246 -0.761 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 13 -ATOM 20288 H HD1 . TYR A 1 67 ? 4.815 1.351 0.880 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 13 -ATOM 20289 H HD2 . TYR A 1 67 ? 0.639 1.880 0.433 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 13 -ATOM 20290 H HE1 . TYR A 1 67 ? 4.914 3.324 2.326 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 13 -ATOM 20291 H HE2 . TYR A 1 67 ? 0.716 3.831 1.870 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 13 -ATOM 20292 H HH . TYR A 1 67 ? 2.155 4.734 3.645 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 13 -ATOM 20293 N N . GLN A 1 68 ? 5.231 -1.429 -0.290 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 13 -ATOM 20294 C CA . GLN A 1 68 ? 6.649 -1.430 -0.061 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 13 -ATOM 20295 C C . GLN A 1 68 ? 7.251 -0.202 -0.707 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 13 -ATOM 20296 O O . GLN A 1 68 ? 6.942 0.118 -1.857 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 13 -ATOM 20297 C CB . GLN A 1 68 ? 7.325 -2.721 -0.575 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 13 -ATOM 20298 C CG . GLN A 1 68 ? 7.064 -3.037 -2.046 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 13 -ATOM 20299 C CD . GLN A 1 68 ? 7.791 -4.280 -2.548 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 13 -ATOM 20300 O OE1 . GLN A 1 68 ? 8.117 -4.382 -3.729 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 13 -ATOM 20301 N NE2 . GLN A 1 68 ? 8.057 -5.223 -1.673 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 13 -ATOM 20302 H H . GLN A 1 68 ? 4.897 -1.578 -1.204 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 13 -ATOM 20303 H HA . GLN A 1 68 ? 6.806 -1.344 1.003 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 13 -ATOM 20304 H HB2 . GLN A 1 68 ? 8.392 -2.625 -0.439 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 13 -ATOM 20305 H HB3 . GLN A 1 68 ? 6.975 -3.550 0.020 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 13 -ATOM 20306 H HG2 . GLN A 1 68 ? 6.003 -3.179 -2.189 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 13 -ATOM 20307 H HG3 . GLN A 1 68 ? 7.390 -2.189 -2.629 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 13 -ATOM 20308 H HE21 . GLN A 1 68 ? 7.782 -5.098 -0.743 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 13 -ATOM 20309 H HE22 . GLN A 1 68 ? 8.532 -6.013 -2.008 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 13 -ATOM 20310 N N . VAL A 1 69 ? 8.041 0.512 0.027 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 13 -ATOM 20311 C CA . VAL A 1 69 ? 8.684 1.672 -0.511 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 13 -ATOM 20312 C C . VAL A 1 69 ? 10.084 1.288 -0.878 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 13 -ATOM 20313 O O . VAL A 1 69 ? 10.925 1.041 -0.011 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 13 -ATOM 20314 C CB . VAL A 1 69 ? 8.712 2.849 0.500 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 13 -ATOM 20315 C CG1 . VAL A 1 69 ? 9.434 4.058 -0.074 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 13 -ATOM 20316 C CG2 . VAL A 1 69 ? 7.311 3.237 0.912 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 13 -ATOM 20317 H H . VAL A 1 69 ? 8.228 0.229 0.951 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 13 -ATOM 20318 H HA . VAL A 1 69 ? 8.153 1.975 -1.401 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 13 -ATOM 20319 H HB . VAL A 1 69 ? 9.243 2.523 1.382 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 13 -ATOM 20320 H HG11 . VAL A 1 69 ? 8.934 4.386 -0.972 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 13 -ATOM 20321 H HG12 . VAL A 1 69 ? 10.452 3.789 -0.310 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 13 -ATOM 20322 H HG13 . VAL A 1 69 ? 9.432 4.858 0.652 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 13 -ATOM 20323 H HG21 . VAL A 1 69 ? 7.360 4.048 1.624 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 13 -ATOM 20324 H HG22 . VAL A 1 69 ? 6.827 2.386 1.367 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 13 -ATOM 20325 H HG23 . VAL A 1 69 ? 6.747 3.549 0.048 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 13 -ATOM 20326 N N . ILE A 1 70 ? 10.342 1.248 -2.142 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 13 -ATOM 20327 C CA . ILE A 1 70 ? 11.624 0.865 -2.621 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 13 -ATOM 20328 C C . ILE A 1 70 ? 12.379 2.127 -2.941 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 13 -ATOM 20329 O O . ILE A 1 70 ? 12.137 2.755 -3.972 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 13 -ATOM 20330 C CB . ILE A 1 70 ? 11.515 -0.007 -3.896 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 13 -ATOM 20331 C CG1 . ILE A 1 70 ? 10.493 -1.139 -3.683 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 13 -ATOM 20332 C CG2 . ILE A 1 70 ? 12.887 -0.600 -4.230 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 13 -ATOM 20333 C CD1 . ILE A 1 70 ? 10.183 -1.935 -4.935 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 13 -ATOM 20334 H H . ILE A 1 70 ? 9.644 1.501 -2.789 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 13 -ATOM 20335 H HA . ILE A 1 70 ? 12.135 0.312 -1.848 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 13 -ATOM 20336 H HB . ILE A 1 70 ? 11.193 0.615 -4.718 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 13 -ATOM 20337 H HG12 . ILE A 1 70 ? 10.876 -1.827 -2.944 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 13 -ATOM 20338 H HG13 . ILE A 1 70 ? 9.570 -0.711 -3.322 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 13 -ATOM 20339 H HG21 . ILE A 1 70 ? 13.595 0.199 -4.395 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 13 -ATOM 20340 H HG22 . ILE A 1 70 ? 12.812 -1.208 -5.120 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 13 -ATOM 20341 H HG23 . ILE A 1 70 ? 13.223 -1.214 -3.408 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 13 -ATOM 20342 H HD11 . ILE A 1 70 ? 9.474 -2.715 -4.700 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 13 -ATOM 20343 H HD12 . ILE A 1 70 ? 11.093 -2.373 -5.316 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 13 -ATOM 20344 H HD13 . ILE A 1 70 ? 9.762 -1.279 -5.682 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 13 -ATOM 20345 N N . ASP A 1 71 ? 13.252 2.518 -2.047 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 13 -ATOM 20346 C CA . ASP A 1 71 ? 14.031 3.736 -2.181 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 13 -ATOM 20347 C C . ASP A 1 71 ? 14.956 3.682 -3.371 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 13 -ATOM 20348 O O . ASP A 1 71 ? 15.177 4.703 -4.036 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 13 -ATOM 20349 C CB . ASP A 1 71 ? 14.843 4.027 -0.920 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 13 -ATOM 20350 C CG . ASP A 1 71 ? 14.017 4.522 0.241 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 13 -ATOM 20351 O OD1 . ASP A 1 71 ? 13.733 5.750 0.299 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 13 -ATOM 20352 O OD2 . ASP A 1 71 ? 13.664 3.710 1.135 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 13 -ATOM 20353 H H . ASP A 1 71 ? 13.401 1.961 -1.254 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 13 -ATOM 20354 H HA . ASP A 1 71 ? 13.336 4.549 -2.329 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 13 -ATOM 20355 H HB2 . ASP A 1 71 ? 15.351 3.125 -0.615 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 13 -ATOM 20356 H HB3 . ASP A 1 71 ? 15.580 4.772 -1.166 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 13 -ATOM 20357 N N . GLU A 1 72 ? 15.476 2.493 -3.663 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 13 -ATOM 20358 C CA . GLU A 1 72 ? 16.391 2.303 -4.789 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 13 -ATOM 20359 C C . GLU A 1 72 ? 15.706 2.578 -6.120 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 13 -ATOM 20360 O O . GLU A 1 72 ? 16.307 3.132 -7.033 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 13 -ATOM 20361 C CB . GLU A 1 72 ? 16.978 0.892 -4.807 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 13 -ATOM 20362 C CG . GLU A 1 72 ? 17.751 0.523 -3.563 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 13 -ATOM 20363 C CD . GLU A 1 72 ? 18.484 -0.785 -3.706 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 13 -ATOM 20364 O OE1 . GLU A 1 72 ? 17.861 -1.849 -3.602 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 13 -ATOM 20365 O OE2 . GLU A 1 72 ? 19.718 -0.757 -3.934 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 13 -ATOM 20366 H H . GLU A 1 72 ? 15.258 1.734 -3.076 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 13 -ATOM 20367 H HA . GLU A 1 72 ? 17.199 3.009 -4.674 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 13 -ATOM 20368 H HB2 . GLU A 1 72 ? 16.172 0.182 -4.919 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 13 -ATOM 20369 H HB3 . GLU A 1 72 ? 17.639 0.804 -5.657 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 13 -ATOM 20370 H HG2 . GLU A 1 72 ? 18.469 1.303 -3.365 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 13 -ATOM 20371 H HG3 . GLU A 1 72 ? 17.071 0.452 -2.729 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 13 -ATOM 20372 N N . LYS A 1 73 ? 14.450 2.205 -6.214 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 13 -ATOM 20373 C CA . LYS A 1 73 ? 13.694 2.374 -7.448 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 13 -ATOM 20374 C C . LYS A 1 73 ? 12.834 3.633 -7.379 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 13 -ATOM 20375 O O . LYS A 1 73 ? 12.212 4.030 -8.361 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 13 -ATOM 20376 C CB . LYS A 1 73 ? 12.825 1.138 -7.695 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 13 -ATOM 20377 C CG . LYS A 1 73 ? 13.611 -0.157 -7.838 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 13 -ATOM 20378 C CD . LYS A 1 73 ? 12.684 -1.356 -7.997 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 13 -ATOM 20379 C CE . LYS A 1 73 ? 13.469 -2.659 -8.091 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 13 -ATOM 20380 N NZ . LYS A 1 73 ? 12.582 -3.834 -8.259 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 13 -ATOM 20381 H H . LYS A 1 73 ? 14.017 1.812 -5.428 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 13 -ATOM 20382 H HA . LYS A 1 73 ? 14.400 2.475 -8.259 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 13 -ATOM 20383 H HB2 . LYS A 1 73 ? 12.164 1.021 -6.849 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 13 -ATOM 20384 H HB3 . LYS A 1 73 ? 12.239 1.284 -8.589 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 13 -ATOM 20385 H HG2 . LYS A 1 73 ? 14.244 -0.088 -8.711 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 13 -ATOM 20386 H HG3 . LYS A 1 73 ? 14.221 -0.295 -6.958 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 13 -ATOM 20387 H HD2 . LYS A 1 73 ? 12.018 -1.402 -7.148 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 13 -ATOM 20388 H HD3 . LYS A 1 73 ? 12.104 -1.227 -8.898 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 13 -ATOM 20389 H HE2 . LYS A 1 73 ? 14.151 -2.602 -8.925 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 13 -ATOM 20390 H HE3 . LYS A 1 73 ? 14.039 -2.778 -7.181 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 13 -ATOM 20391 H HZ1 . LYS A 1 73 ? 13.148 -4.687 -8.448 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 13 -ATOM 20392 H HZ2 . LYS A 1 73 ? 11.908 -3.722 -9.040 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 13 -ATOM 20393 H HZ3 . LYS A 1 73 ? 12.048 -4.019 -7.385 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 13 -ATOM 20394 N N . VAL A 1 74 ? 12.815 4.247 -6.188 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 13 -ATOM 20395 C CA . VAL A 1 74 ? 12.083 5.495 -5.891 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 13 -ATOM 20396 C C . VAL A 1 74 ? 10.556 5.280 -6.110 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 13 -ATOM 20397 O O . VAL A 1 74 ? 9.798 6.197 -6.416 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 13 -ATOM 20398 C CB . VAL A 1 74 ? 12.639 6.699 -6.750 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 13 -ATOM 20399 C CG1 . VAL A 1 74 ? 12.093 8.049 -6.278 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 13 -ATOM 20400 C CG2 . VAL A 1 74 ? 14.163 6.721 -6.716 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 13 -ATOM 20401 H H . VAL A 1 74 ? 13.321 3.830 -5.460 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 13 -ATOM 20402 H HA . VAL A 1 74 ? 12.239 5.701 -4.841 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 13 -ATOM 20403 H HB . VAL A 1 74 ? 12.329 6.550 -7.774 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 13 -ATOM 20404 H HG11 . VAL A 1 74 ? 12.510 8.836 -6.887 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 13 -ATOM 20405 H HG12 . VAL A 1 74 ? 12.365 8.209 -5.245 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 13 -ATOM 20406 H HG13 . VAL A 1 74 ? 11.018 8.051 -6.373 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 13 -ATOM 20407 H HG21 . VAL A 1 74 ? 14.524 7.538 -7.322 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 13 -ATOM 20408 H HG22 . VAL A 1 74 ? 14.544 5.787 -7.102 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 13 -ATOM 20409 H HG23 . VAL A 1 74 ? 14.495 6.852 -5.697 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 13 -ATOM 20410 N N . VAL A 1 75 ? 10.102 4.084 -5.850 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 13 -ATOM 20411 C CA . VAL A 1 75 ? 8.723 3.758 -6.101 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 13 -ATOM 20412 C C . VAL A 1 75 ? 8.080 3.116 -4.881 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 13 -ATOM 20413 O O . VAL A 1 75 ? 8.707 2.326 -4.159 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 13 -ATOM 20414 C CB . VAL A 1 75 ? 8.551 2.843 -7.375 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 13 -ATOM 20415 C CG1 . VAL A 1 75 ? 9.248 1.505 -7.212 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 13 -ATOM 20416 C CG2 . VAL A 1 75 ? 7.080 2.638 -7.741 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 13 -ATOM 20417 H H . VAL A 1 75 ? 10.690 3.419 -5.433 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 13 -ATOM 20418 H HA . VAL A 1 75 ? 8.210 4.691 -6.288 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 13 -ATOM 20419 H HB . VAL A 1 75 ? 9.036 3.349 -8.198 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 13 -ATOM 20420 H HG11 . VAL A 1 75 ? 10.300 1.677 -7.052 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 13 -ATOM 20421 H HG12 . VAL A 1 75 ? 9.106 0.918 -8.107 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 13 -ATOM 20422 H HG13 . VAL A 1 75 ? 8.832 0.983 -6.363 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 13 -ATOM 20423 H HG21 . VAL A 1 75 ? 6.620 3.591 -7.952 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 13 -ATOM 20424 H HG22 . VAL A 1 75 ? 6.568 2.171 -6.913 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 13 -ATOM 20425 H HG23 . VAL A 1 75 ? 7.011 2.002 -8.611 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 13 -ATOM 20426 N N . VAL A 1 76 ? 6.877 3.518 -4.633 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 13 -ATOM 20427 C CA . VAL A 1 76 ? 6.047 2.962 -3.627 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 13 -ATOM 20428 C C . VAL A 1 76 ? 5.150 1.959 -4.332 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 13 -ATOM 20429 O O . VAL A 1 76 ? 4.344 2.322 -5.201 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 13 -ATOM 20430 C CB . VAL A 1 76 ? 5.187 4.065 -2.960 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 13 -ATOM 20431 C CG1 . VAL A 1 76 ? 4.294 3.492 -1.887 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 13 -ATOM 20432 C CG2 . VAL A 1 76 ? 6.063 5.169 -2.391 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 13 -ATOM 20433 H H . VAL A 1 76 ? 6.492 4.243 -5.172 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 13 -ATOM 20434 H HA . VAL A 1 76 ? 6.654 2.464 -2.887 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 13 -ATOM 20435 H HB . VAL A 1 76 ? 4.563 4.498 -3.728 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 13 -ATOM 20436 H HG11 . VAL A 1 76 ? 4.896 3.018 -1.126 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 13 -ATOM 20437 H HG12 . VAL A 1 76 ? 3.629 2.762 -2.326 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 13 -ATOM 20438 H HG13 . VAL A 1 76 ? 3.710 4.283 -1.441 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 13 -ATOM 20439 H HG21 . VAL A 1 76 ? 5.444 5.910 -1.906 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 13 -ATOM 20440 H HG22 . VAL A 1 76 ? 6.611 5.636 -3.196 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 13 -ATOM 20441 H HG23 . VAL A 1 76 ? 6.760 4.755 -1.679 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 13 -ATOM 20442 N N . PHE A 1 77 ? 5.315 0.728 -3.999 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 13 -ATOM 20443 C CA . PHE A 1 77 ? 4.629 -0.337 -4.662 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 13 -ATOM 20444 C C . PHE A 1 77 ? 3.610 -0.961 -3.723 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 13 -ATOM 20445 O O . PHE A 1 77 ? 3.974 -1.590 -2.730 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 13 -ATOM 20446 C CB . PHE A 1 77 ? 5.673 -1.360 -5.126 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 13 -ATOM 20447 C CG . PHE A 1 77 ? 5.151 -2.506 -5.931 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 13 -ATOM 20448 C CD1 . PHE A 1 77 ? 4.757 -2.319 -7.241 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 13 -ATOM 20449 C CD2 . PHE A 1 77 ? 5.091 -3.778 -5.391 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 13 -ATOM 20450 C CE1 . PHE A 1 77 ? 4.310 -3.376 -7.998 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 13 -ATOM 20451 C CE2 . PHE A 1 77 ? 4.642 -4.837 -6.140 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 13 -ATOM 20452 C CZ . PHE A 1 77 ? 4.251 -4.636 -7.447 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 13 -ATOM 20453 H H . PHE A 1 77 ? 5.928 0.511 -3.262 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 13 -ATOM 20454 H HA . PHE A 1 77 ? 4.126 0.062 -5.530 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 13 -ATOM 20455 H HB2 . PHE A 1 77 ? 6.410 -0.855 -5.732 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 13 -ATOM 20456 H HB3 . PHE A 1 77 ? 6.165 -1.761 -4.254 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 13 -ATOM 20457 H HD1 . PHE A 1 77 ? 4.800 -1.330 -7.671 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 13 -ATOM 20458 H HD2 . PHE A 1 77 ? 5.397 -3.935 -4.367 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 13 -ATOM 20459 H HE1 . PHE A 1 77 ? 4.004 -3.216 -9.021 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 13 -ATOM 20460 H HE2 . PHE A 1 77 ? 4.595 -5.823 -5.705 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 13 -ATOM 20461 H HZ . PHE A 1 77 ? 3.901 -5.469 -8.040 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 13 -ATOM 20462 N N . VAL A 1 78 ? 2.348 -0.754 -4.019 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 13 -ATOM 20463 C CA . VAL A 1 78 ? 1.262 -1.280 -3.212 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 13 -ATOM 20464 C C . VAL A 1 78 ? 1.134 -2.760 -3.467 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 13 -ATOM 20465 O O . VAL A 1 78 ? 0.925 -3.175 -4.596 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 13 -ATOM 20466 C CB . VAL A 1 78 ? -0.082 -0.572 -3.526 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 13 -ATOM 20467 C CG1 . VAL A 1 78 ? -1.213 -1.117 -2.654 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 13 -ATOM 20468 C CG2 . VAL A 1 78 ? 0.053 0.934 -3.354 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 13 -ATOM 20469 H H . VAL A 1 78 ? 2.144 -0.246 -4.838 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 13 -ATOM 20470 H HA . VAL A 1 78 ? 1.509 -1.132 -2.173 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 13 -ATOM 20471 H HB . VAL A 1 78 ? -0.334 -0.775 -4.556 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 13 -ATOM 20472 H HG11 . VAL A 1 78 ? -1.337 -2.173 -2.848 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 13 -ATOM 20473 H HG12 . VAL A 1 78 ? -2.136 -0.601 -2.875 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 13 -ATOM 20474 H HG13 . VAL A 1 78 ? -0.965 -0.979 -1.613 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 13 -ATOM 20475 H HG21 . VAL A 1 78 ? 0.361 1.162 -2.344 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 13 -ATOM 20476 H HG22 . VAL A 1 78 ? -0.896 1.406 -3.557 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 13 -ATOM 20477 H HG23 . VAL A 1 78 ? 0.793 1.306 -4.048 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 13 -ATOM 20478 N N . ILE A 1 79 ? 1.253 -3.540 -2.428 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 13 -ATOM 20479 C CA . ILE A 1 79 ? 1.238 -4.977 -2.571 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 13 -ATOM 20480 C C . ILE A 1 79 ? -0.150 -5.522 -2.263 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 13 -ATOM 20481 O O . ILE A 1 79 ? -0.663 -6.408 -2.952 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 13 -ATOM 20482 C CB . ILE A 1 79 ? 2.245 -5.649 -1.601 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 13 -ATOM 20483 C CG1 . ILE A 1 79 ? 3.627 -4.995 -1.700 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 13 -ATOM 20484 C CG2 . ILE A 1 79 ? 2.358 -7.135 -1.922 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 13 -ATOM 20485 C CD1 . ILE A 1 79 ? 4.623 -5.533 -0.689 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 13 -ATOM 20486 H H . ILE A 1 79 ? 1.340 -3.146 -1.533 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 13 -ATOM 20487 H HA . ILE A 1 79 ? 1.514 -5.232 -3.583 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 13 -ATOM 20488 H HB . ILE A 1 79 ? 1.871 -5.543 -0.594 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 13 -ATOM 20489 H HG12 . ILE A 1 79 ? 4.032 -5.168 -2.685 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 13 -ATOM 20490 H HG13 . ILE A 1 79 ? 3.526 -3.931 -1.536 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 13 -ATOM 20491 H HG21 . ILE A 1 79 ? 2.686 -7.255 -2.943 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 13 -ATOM 20492 H HG22 . ILE A 1 79 ? 1.395 -7.608 -1.800 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 13 -ATOM 20493 H HG23 . ILE A 1 79 ? 3.079 -7.591 -1.260 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 13 -ATOM 20494 H HD11 . ILE A 1 79 ? 4.741 -6.597 -0.830 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 13 -ATOM 20495 H HD12 . ILE A 1 79 ? 4.264 -5.339 0.312 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 13 -ATOM 20496 H HD13 . ILE A 1 79 ? 5.576 -5.045 -0.827 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 13 -ATOM 20497 N N . SER A 1 80 ? -0.763 -4.996 -1.230 1.00 0.00 ? ? ? ? ? ? 77 SER A N 13 -ATOM 20498 C CA . SER A 1 80 ? -2.042 -5.490 -0.790 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 13 -ATOM 20499 C C . SER A 1 80 ? -2.894 -4.363 -0.243 1.00 0.00 ? ? ? ? ? ? 77 SER A C 13 -ATOM 20500 O O . SER A 1 80 ? -2.371 -3.372 0.283 1.00 0.00 ? ? ? ? ? ? 77 SER A O 13 -ATOM 20501 C CB . SER A 1 80 ? -1.828 -6.559 0.274 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 13 -ATOM 20502 O OG . SER A 1 80 ? -1.010 -7.592 -0.235 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 13 -ATOM 20503 H H . SER A 1 80 ? -0.367 -4.247 -0.735 1.00 0.00 ? ? ? ? ? ? 77 SER A H 13 -ATOM 20504 H HA . SER A 1 80 ? -2.541 -5.942 -1.633 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 13 -ATOM 20505 H HB2 . SER A 1 80 ? -1.342 -6.118 1.132 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 13 -ATOM 20506 H HB3 . SER A 1 80 ? -2.780 -6.977 0.566 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 13 -ATOM 20507 H HG . SER A 1 80 ? -0.841 -7.400 -1.166 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 13 -ATOM 20508 N N . VAL A 1 81 ? -4.185 -4.503 -0.381 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 13 -ATOM 20509 C CA . VAL A 1 81 ? -5.118 -3.520 0.085 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 13 -ATOM 20510 C C . VAL A 1 81 ? -6.422 -4.226 0.493 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 13 -ATOM 20511 O O . VAL A 1 81 ? -6.767 -5.267 -0.082 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 13 -ATOM 20512 C CB . VAL A 1 81 ? -5.369 -2.439 -1.020 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 13 -ATOM 20513 C CG1 . VAL A 1 81 ? -6.014 -3.022 -2.266 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 13 -ATOM 20514 C CG2 . VAL A 1 81 ? -6.166 -1.278 -0.491 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 13 -ATOM 20515 H H . VAL A 1 81 ? -4.566 -5.304 -0.799 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 13 -ATOM 20516 H HA . VAL A 1 81 ? -4.692 -3.046 0.956 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 13 -ATOM 20517 H HB . VAL A 1 81 ? -4.397 -2.072 -1.317 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 13 -ATOM 20518 H HG11 . VAL A 1 81 ? -6.168 -2.239 -2.993 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 13 -ATOM 20519 H HG12 . VAL A 1 81 ? -6.966 -3.462 -2.007 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 13 -ATOM 20520 H HG13 . VAL A 1 81 ? -5.369 -3.781 -2.685 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 13 -ATOM 20521 H HG21 . VAL A 1 81 ? -5.626 -0.822 0.325 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 13 -ATOM 20522 H HG22 . VAL A 1 81 ? -7.129 -1.624 -0.143 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 13 -ATOM 20523 H HG23 . VAL A 1 81 ? -6.302 -0.550 -1.277 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 13 -ATOM 20524 N N . GLY A 1 82 ? -7.085 -3.715 1.509 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 13 -ATOM 20525 C CA . GLY A 1 82 ? -8.338 -4.283 1.956 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 13 -ATOM 20526 C C . GLY A 1 82 ? -8.508 -4.069 3.434 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 13 -ATOM 20527 O O . GLY A 1 82 ? -8.098 -3.044 3.953 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 13 -ATOM 20528 H H . GLY A 1 82 ? -6.718 -2.949 2.008 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 13 -ATOM 20529 H HA2 . GLY A 1 82 ? -9.152 -3.807 1.427 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 13 -ATOM 20530 H HA3 . GLY A 1 82 ? -8.353 -5.342 1.750 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 13 -ATOM 20531 N N . LYS A 1 83 ? -9.103 -4.998 4.123 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 13 -ATOM 20532 C CA . LYS A 1 83 ? -9.219 -4.872 5.554 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 13 -ATOM 20533 C C . LYS A 1 83 ? -8.136 -5.680 6.216 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 13 -ATOM 20534 O O . LYS A 1 83 ? -7.535 -6.564 5.597 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 13 -ATOM 20535 C CB . LYS A 1 83 ? -10.578 -5.321 6.081 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 13 -ATOM 20536 C CG . LYS A 1 83 ? -11.768 -4.559 5.517 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 13 -ATOM 20537 C CD . LYS A 1 83 ? -13.055 -4.902 6.264 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 13 -ATOM 20538 C CE . LYS A 1 83 ? -13.334 -6.401 6.285 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 13 -ATOM 20539 N NZ . LYS A 1 83 ? -13.532 -6.965 4.934 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 13 -ATOM 20540 H H . LYS A 1 83 ? -9.455 -5.794 3.671 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 13 -ATOM 20541 H HA . LYS A 1 83 ? -9.068 -3.831 5.799 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 13 -ATOM 20542 H HB2 . LYS A 1 83 ? -10.703 -6.364 5.832 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 13 -ATOM 20543 H HB3 . LYS A 1 83 ? -10.585 -5.218 7.155 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 13 -ATOM 20544 H HG2 . LYS A 1 83 ? -11.580 -3.500 5.610 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 13 -ATOM 20545 H HG3 . LYS A 1 83 ? -11.888 -4.815 4.474 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 13 -ATOM 20546 H HD2 . LYS A 1 83 ? -12.973 -4.550 7.281 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 13 -ATOM 20547 H HD3 . LYS A 1 83 ? -13.878 -4.398 5.778 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 13 -ATOM 20548 H HE2 . LYS A 1 83 ? -12.506 -6.907 6.757 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 13 -ATOM 20549 H HE3 . LYS A 1 83 ? -14.225 -6.566 6.870 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 13 -ATOM 20550 H HZ1 . LYS A 1 83 ? -12.725 -6.769 4.309 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 13 -ATOM 20551 H HZ2 . LYS A 1 83 ? -14.390 -6.582 4.488 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 13 -ATOM 20552 H HZ3 . LYS A 1 83 ? -13.636 -7.997 5.003 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 13 -ATOM 20553 N N . ALA A 1 84 ? -7.896 -5.396 7.459 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 13 -ATOM 20554 C CA . ALA A 1 84 ? -6.901 -6.086 8.211 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 13 -ATOM 20555 C C . ALA A 1 84 ? -7.481 -6.502 9.531 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 13 -ATOM 20556 O O . ALA A 1 84 ? -7.802 -5.661 10.366 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 13 -ATOM 20557 C CB . ALA A 1 84 ? -5.681 -5.210 8.418 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 13 -ATOM 20558 H H . ALA A 1 84 ? -8.419 -4.708 7.919 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 13 -ATOM 20559 H HA . ALA A 1 84 ? -6.606 -6.964 7.658 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 13 -ATOM 20560 H HB1 . ALA A 1 84 ? -5.951 -4.344 9.003 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 13 -ATOM 20561 H HB2 . ALA A 1 84 ? -5.302 -4.894 7.458 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 13 -ATOM 20562 H HB3 . ALA A 1 84 ? -4.918 -5.773 8.934 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 13 -ATOM 20563 N N . GLU A 1 85 ? -7.695 -7.780 9.685 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 13 -ATOM 20564 C CA . GLU A 1 85 ? -8.193 -8.292 10.925 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 13 -ATOM 20565 C C . GLU A 1 85 ? -6.974 -8.729 11.737 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 13 -ATOM 20566 O O . GLU A 1 85 ? -6.598 -8.085 12.732 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 13 -ATOM 20567 C CB . GLU A 1 85 ? -9.164 -9.464 10.659 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 13 -ATOM 20568 C CG . GLU A 1 85 ? -10.234 -9.691 11.733 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 13 -ATOM 20569 C CD . GLU A 1 85 ? -9.688 -9.988 13.099 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 13 -ATOM 20570 O OE1 . GLU A 1 85 ? -9.429 -11.171 13.403 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 13 -ATOM 20571 O OE2 . GLU A 1 85 ? -9.530 -9.046 13.898 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 13 -ATOM 20572 H H . GLU A 1 85 ? -7.530 -8.391 8.940 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 13 -ATOM 20573 H HA . GLU A 1 85 ? -8.698 -7.497 11.446 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 13 -ATOM 20574 H HB2 . GLU A 1 85 ? -9.671 -9.279 9.723 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 13 -ATOM 20575 H HB3 . GLU A 1 85 ? -8.587 -10.370 10.564 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 13 -ATOM 20576 H HG2 . GLU A 1 85 ? -10.837 -8.798 11.808 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 13 -ATOM 20577 H HG3 . GLU A 1 85 ? -10.862 -10.513 11.424 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 13 -ATOM 20578 N N . ALA A 1 86 ? -6.319 -9.766 11.270 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 13 -ATOM 20579 C CA . ALA A 1 86 ? -5.119 -10.251 11.912 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 13 -ATOM 20580 C C . ALA A 1 86 ? -3.968 -10.425 10.916 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 13 -ATOM 20581 O O . ALA A 1 86 ? -2.928 -9.786 11.045 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 13 -ATOM 20582 C CB . ALA A 1 86 ? -5.397 -11.548 12.648 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 13 -ATOM 20583 H H . ALA A 1 86 ? -6.679 -10.240 10.492 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 13 -ATOM 20584 H HA . ALA A 1 86 ? -4.822 -9.511 12.640 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 13 -ATOM 20585 H HB1 . ALA A 1 86 ? -4.518 -11.853 13.196 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 13 -ATOM 20586 H HB2 . ALA A 1 86 ? -5.656 -12.318 11.936 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 13 -ATOM 20587 H HB3 . ALA A 1 86 ? -6.217 -11.402 13.336 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 13 -ATOM 20588 N N . SER A 1 87 ? -4.155 -11.261 9.914 1.00 0.00 ? ? ? ? ? ? 84 SER A N 13 -ATOM 20589 C CA . SER A 1 87 ? -3.069 -11.556 8.996 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 13 -ATOM 20590 C C . SER A 1 87 ? -3.477 -11.304 7.523 1.00 0.00 ? ? ? ? ? ? 84 SER A C 13 -ATOM 20591 O O . SER A 1 87 ? -2.710 -11.594 6.598 1.00 0.00 ? ? ? ? ? ? 84 SER A O 13 -ATOM 20592 C CB . SER A 1 87 ? -2.622 -13.020 9.221 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 13 -ATOM 20593 O OG . SER A 1 87 ? -1.436 -13.349 8.511 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 13 -ATOM 20594 H H . SER A 1 87 ? -5.016 -11.722 9.808 1.00 0.00 ? ? ? ? ? ? 84 SER A H 13 -ATOM 20595 H HA . SER A 1 87 ? -2.243 -10.909 9.248 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 13 -ATOM 20596 H HB2 . SER A 1 87 ? -2.443 -13.180 10.274 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 13 -ATOM 20597 H HB3 . SER A 1 87 ? -3.415 -13.677 8.897 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 13 -ATOM 20598 H HG . SER A 1 87 ? -1.330 -14.305 8.596 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 13 -ATOM 20599 N N . GLU A 1 88 ? -4.631 -10.659 7.324 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 13 -ATOM 20600 C CA . GLU A 1 88 ? -5.211 -10.460 5.984 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 13 -ATOM 20601 C C . GLU A 1 88 ? -4.272 -9.708 5.025 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 13 -ATOM 20602 O O . GLU A 1 88 ? -3.961 -10.191 3.948 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 13 -ATOM 20603 C CB . GLU A 1 88 ? -6.497 -9.654 6.106 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 13 -ATOM 20604 C CG . GLU A 1 88 ? -7.565 -10.280 6.973 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 13 -ATOM 20605 C CD . GLU A 1 88 ? -7.965 -11.648 6.489 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 13 -ATOM 20606 O OE1 . GLU A 1 88 ? -8.468 -11.763 5.368 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 13 -ATOM 20607 O OE2 . GLU A 1 88 ? -7.801 -12.625 7.235 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 13 -ATOM 20608 H H . GLU A 1 88 ? -5.127 -10.326 8.097 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 13 -ATOM 20609 H HA . GLU A 1 88 ? -5.460 -11.423 5.568 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 13 -ATOM 20610 H HB2 . GLU A 1 88 ? -6.256 -8.685 6.516 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 13 -ATOM 20611 H HB3 . GLU A 1 88 ? -6.899 -9.521 5.115 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 13 -ATOM 20612 H HG2 . GLU A 1 88 ? -7.189 -10.356 7.981 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 13 -ATOM 20613 H HG3 . GLU A 1 88 ? -8.437 -9.642 6.966 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 13 -ATOM 20614 N N . VAL A 1 89 ? -3.779 -8.565 5.450 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 13 -ATOM 20615 C CA . VAL A 1 89 ? -2.929 -7.749 4.584 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 13 -ATOM 20616 C C . VAL A 1 89 ? -1.468 -8.118 4.726 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 13 -ATOM 20617 O O . VAL A 1 89 ? -0.623 -7.630 3.996 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 13 -ATOM 20618 C CB . VAL A 1 89 ? -3.111 -6.226 4.837 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 13 -ATOM 20619 C CG1 . VAL A 1 89 ? -4.515 -5.776 4.462 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 13 -ATOM 20620 C CG2 . VAL A 1 89 ? -2.805 -5.872 6.292 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 13 -ATOM 20621 H H . VAL A 1 89 ? -3.988 -8.245 6.350 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 13 -ATOM 20622 H HA . VAL A 1 89 ? -3.226 -7.959 3.567 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 13 -ATOM 20623 H HB . VAL A 1 89 ? -2.412 -5.701 4.204 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 13 -ATOM 20624 H HG11 . VAL A 1 89 ? -4.617 -4.717 4.650 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 13 -ATOM 20625 H HG12 . VAL A 1 89 ? -5.237 -6.317 5.057 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 13 -ATOM 20626 H HG13 . VAL A 1 89 ? -4.692 -5.974 3.416 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 13 -ATOM 20627 H HG21 . VAL A 1 89 ? -1.786 -6.146 6.522 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 13 -ATOM 20628 H HG22 . VAL A 1 89 ? -3.477 -6.412 6.941 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 13 -ATOM 20629 H HG23 . VAL A 1 89 ? -2.935 -4.809 6.438 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 13 -ATOM 20630 N N . TYR A 1 90 ? -1.183 -8.988 5.659 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 13 -ATOM 20631 C CA . TYR A 1 90 ? 0.178 -9.385 5.908 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 13 -ATOM 20632 C C . TYR A 1 90 ? 0.535 -10.568 5.043 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 13 -ATOM 20633 O O . TYR A 1 90 ? 1.588 -10.587 4.414 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 13 -ATOM 20634 C CB . TYR A 1 90 ? 0.404 -9.689 7.392 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 13 -ATOM 20635 C CG . TYR A 1 90 ? 0.196 -8.490 8.302 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 13 -ATOM 20636 C CD1 . TYR A 1 90 ? 1.218 -7.578 8.525 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 13 -ATOM 20637 C CD2 . TYR A 1 90 ? -1.019 -8.272 8.934 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 13 -ATOM 20638 C CE1 . TYR A 1 90 ? 1.034 -6.484 9.351 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 13 -ATOM 20639 C CE2 . TYR A 1 90 ? -1.211 -7.183 9.762 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 13 -ATOM 20640 C CZ . TYR A 1 90 ? -0.184 -6.291 9.971 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 13 -ATOM 20641 O OH . TYR A 1 90 ? -0.380 -5.193 10.801 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 13 -ATOM 20642 H H . TYR A 1 90 ? -1.914 -9.394 6.168 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 13 -ATOM 20643 H HA . TYR A 1 90 ? 0.809 -8.557 5.621 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 13 -ATOM 20644 H HB2 . TYR A 1 90 ? -0.284 -10.462 7.700 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 13 -ATOM 20645 H HB3 . TYR A 1 90 ? 1.415 -10.042 7.530 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 13 -ATOM 20646 H HD1 . TYR A 1 90 ? 2.171 -7.729 8.038 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 13 -ATOM 20647 H HD2 . TYR A 1 90 ? -1.828 -8.969 8.773 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 13 -ATOM 20648 H HE1 . TYR A 1 90 ? 1.846 -5.791 9.504 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 13 -ATOM 20649 H HE2 . TYR A 1 90 ? -2.167 -7.035 10.242 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 13 -ATOM 20650 H HH . TYR A 1 90 ? -0.668 -5.513 11.667 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 13 -ATOM 20651 N N . SER A 1 91 ? -0.367 -11.533 4.977 1.00 0.00 ? ? ? ? ? ? 88 SER A N 13 -ATOM 20652 C CA . SER A 1 91 ? -0.154 -12.710 4.175 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 13 -ATOM 20653 C C . SER A 1 91 ? -0.087 -12.383 2.695 1.00 0.00 ? ? ? ? ? ? 88 SER A C 13 -ATOM 20654 O O . SER A 1 91 ? 0.866 -12.769 2.036 1.00 0.00 ? ? ? ? ? ? 88 SER A O 13 -ATOM 20655 C CB . SER A 1 91 ? -1.205 -13.762 4.468 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 13 -ATOM 20656 O OG . SER A 1 91 ? -1.106 -14.187 5.822 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 13 -ATOM 20657 H H . SER A 1 91 ? -1.203 -11.462 5.489 1.00 0.00 ? ? ? ? ? ? 88 SER A H 13 -ATOM 20658 H HA . SER A 1 91 ? 0.809 -13.113 4.452 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 13 -ATOM 20659 H HB2 . SER A 1 91 ? -2.184 -13.340 4.299 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 13 -ATOM 20660 H HB3 . SER A 1 91 ? -1.056 -14.614 3.821 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 13 -ATOM 20661 H HG . SER A 1 91 ? -1.697 -13.642 6.359 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 13 -ATOM 20662 N N . GLU A 1 92 ? -1.043 -11.597 2.194 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 13 -ATOM 20663 C CA . GLU A 1 92 ? -1.074 -11.259 0.766 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 13 -ATOM 20664 C C . GLU A 1 92 ? 0.203 -10.518 0.365 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 13 -ATOM 20665 O O . GLU A 1 92 ? 0.708 -10.684 -0.754 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 13 -ATOM 20666 C CB . GLU A 1 92 ? -2.302 -10.400 0.425 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 13 -ATOM 20667 C CG . GLU A 1 92 ? -3.652 -11.037 0.727 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 13 -ATOM 20668 C CD . GLU A 1 92 ? -3.876 -12.323 -0.016 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 13 -ATOM 20669 O OE1 . GLU A 1 92 ? -4.079 -12.295 -1.248 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 13 -ATOM 20670 O OE2 . GLU A 1 92 ? -3.874 -13.393 0.614 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 13 -ATOM 20671 H H . GLU A 1 92 ? -1.747 -11.243 2.778 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 13 -ATOM 20672 H HA . GLU A 1 92 ? -1.109 -12.175 0.196 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 13 -ATOM 20673 H HB2 . GLU A 1 92 ? -2.242 -9.479 0.986 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 13 -ATOM 20674 H HB3 . GLU A 1 92 ? -2.269 -10.161 -0.628 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 13 -ATOM 20675 H HG2 . GLU A 1 92 ? -3.709 -11.243 1.786 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 13 -ATOM 20676 H HG3 . GLU A 1 92 ? -4.433 -10.342 0.457 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 13 -ATOM 20677 N N . ALA A 1 93 ? 0.744 -9.763 1.305 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 13 -ATOM 20678 C CA . ALA A 1 93 ? 1.944 -9.013 1.078 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 13 -ATOM 20679 C C . ALA A 1 93 ? 3.172 -9.915 1.088 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 13 -ATOM 20680 O O . ALA A 1 93 ? 3.919 -9.960 0.113 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 13 -ATOM 20681 C CB . ALA A 1 93 ? 2.082 -7.894 2.100 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 13 -ATOM 20682 H H . ALA A 1 93 ? 0.307 -9.709 2.179 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 13 -ATOM 20683 H HA . ALA A 1 93 ? 1.856 -8.564 0.100 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 13 -ATOM 20684 H HB1 . ALA A 1 93 ? 2.198 -8.320 3.085 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 13 -ATOM 20685 H HB2 . ALA A 1 93 ? 1.197 -7.275 2.079 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 13 -ATOM 20686 H HB3 . ALA A 1 93 ? 2.948 -7.292 1.864 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 13 -ATOM 20687 N N . VAL A 1 94 ? 3.355 -10.678 2.163 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 13 -ATOM 20688 C CA . VAL A 1 94 ? 4.552 -11.515 2.317 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 13 -ATOM 20689 C C . VAL A 1 94 ? 4.640 -12.606 1.235 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 13 -ATOM 20690 O O . VAL A 1 94 ? 5.734 -12.967 0.794 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 13 -ATOM 20691 C CB . VAL A 1 94 ? 4.679 -12.131 3.754 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 13 -ATOM 20692 C CG1 . VAL A 1 94 ? 3.604 -13.168 4.035 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 13 -ATOM 20693 C CG2 . VAL A 1 94 ? 6.073 -12.701 3.997 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 13 -ATOM 20694 H H . VAL A 1 94 ? 2.677 -10.674 2.878 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 13 -ATOM 20695 H HA . VAL A 1 94 ? 5.395 -10.860 2.153 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 13 -ATOM 20696 H HB . VAL A 1 94 ? 4.521 -11.324 4.455 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 13 -ATOM 20697 H HG11 . VAL A 1 94 ? 3.703 -13.986 3.337 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 13 -ATOM 20698 H HG12 . VAL A 1 94 ? 2.641 -12.701 3.900 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 13 -ATOM 20699 H HG13 . VAL A 1 94 ? 3.698 -13.533 5.046 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 13 -ATOM 20700 H HG21 . VAL A 1 94 ? 6.127 -13.119 4.991 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 13 -ATOM 20701 H HG22 . VAL A 1 94 ? 6.807 -11.913 3.899 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 13 -ATOM 20702 H HG23 . VAL A 1 94 ? 6.276 -13.473 3.271 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 13 -ATOM 20703 N N . LYS A 1 95 ? 3.491 -13.069 0.747 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 13 -ATOM 20704 C CA . LYS A 1 95 ? 3.473 -14.115 -0.275 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 13 -ATOM 20705 C C . LYS A 1 95 ? 3.958 -13.579 -1.624 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 13 -ATOM 20706 O O . LYS A 1 95 ? 4.226 -14.345 -2.536 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 13 -ATOM 20707 C CB . LYS A 1 95 ? 2.083 -14.753 -0.422 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 13 -ATOM 20708 C CG . LYS A 1 95 ? 1.516 -15.359 0.856 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 13 -ATOM 20709 C CD . LYS A 1 95 ? 2.371 -16.459 1.444 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 13 -ATOM 20710 C CE . LYS A 1 95 ? 1.825 -16.896 2.803 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 13 -ATOM 20711 N NZ . LYS A 1 95 ? 0.416 -17.356 2.728 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 13 -ATOM 20712 H H . LYS A 1 95 ? 2.643 -12.706 1.090 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 13 -ATOM 20713 H HA . LYS A 1 95 ? 4.172 -14.875 0.041 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 13 -ATOM 20714 H HB2 . LYS A 1 95 ? 1.395 -13.982 -0.735 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 13 -ATOM 20715 H HB3 . LYS A 1 95 ? 2.123 -15.524 -1.177 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 13 -ATOM 20716 H HG2 . LYS A 1 95 ? 1.417 -14.580 1.597 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 13 -ATOM 20717 H HG3 . LYS A 1 95 ? 0.539 -15.761 0.632 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 13 -ATOM 20718 H HD2 . LYS A 1 95 ? 2.368 -17.305 0.773 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 13 -ATOM 20719 H HD3 . LYS A 1 95 ? 3.379 -16.096 1.574 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 13 -ATOM 20720 H HE2 . LYS A 1 95 ? 2.434 -17.706 3.178 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 13 -ATOM 20721 H HE3 . LYS A 1 95 ? 1.889 -16.060 3.484 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 13 -ATOM 20722 H HZ1 . LYS A 1 95 ? 0.047 -17.605 3.669 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 13 -ATOM 20723 H HZ2 . LYS A 1 95 ? 0.334 -18.205 2.130 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 13 -ATOM 20724 H HZ3 . LYS A 1 95 ? -0.216 -16.642 2.315 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 13 -ATOM 20725 N N . ARG A 1 96 ? 4.056 -12.258 -1.756 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 13 -ATOM 20726 C CA . ARG A 1 96 ? 4.602 -11.693 -2.979 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 13 -ATOM 20727 C C . ARG A 1 96 ? 6.113 -11.607 -2.921 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 13 -ATOM 20728 O O . ARG A 1 96 ? 6.780 -11.462 -3.945 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 13 -ATOM 20729 C CB . ARG A 1 96 ? 4.014 -10.330 -3.342 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 13 -ATOM 20730 C CG . ARG A 1 96 ? 2.527 -10.324 -3.690 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 13 -ATOM 20731 C CD . ARG A 1 96 ? 2.145 -11.443 -4.664 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 13 -ATOM 20732 N NE . ARG A 1 96 ? 3.138 -11.672 -5.731 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 13 -ATOM 20733 C CZ . ARG A 1 96 ? 3.008 -11.331 -7.006 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 13 -ATOM 20734 N NH1 . ARG A 1 96 ? 2.106 -10.449 -7.380 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 13 -ATOM 20735 N NH2 . ARG A 1 96 ? 3.865 -11.803 -7.898 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 13 -ATOM 20736 H H . ARG A 1 96 ? 3.751 -11.667 -1.030 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 13 -ATOM 20737 H HA . ARG A 1 96 ? 4.355 -12.396 -3.760 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 13 -ATOM 20738 H HB2 . ARG A 1 96 ? 4.158 -9.660 -2.506 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 13 -ATOM 20739 H HB3 . ARG A 1 96 ? 4.561 -9.944 -4.189 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 13 -ATOM 20740 H HG2 . ARG A 1 96 ? 1.958 -10.448 -2.781 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 13 -ATOM 20741 H HG3 . ARG A 1 96 ? 2.283 -9.370 -4.135 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 13 -ATOM 20742 H HD2 . ARG A 1 96 ? 2.032 -12.361 -4.108 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 13 -ATOM 20743 H HD3 . ARG A 1 96 ? 1.197 -11.191 -5.118 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 13 -ATOM 20744 H HE . ARG A 1 96 ? 3.918 -12.205 -5.457 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 13 -ATOM 20745 H HH11 . ARG A 1 96 ? 1.481 -9.964 -6.752 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 13 -ATOM 20746 H HH12 . ARG A 1 96 ? 2.015 -10.192 -8.342 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 13 -ATOM 20747 H HH21 . ARG A 1 96 ? 4.622 -12.415 -7.656 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 13 -ATOM 20748 H HH22 . ARG A 1 96 ? 3.782 -11.565 -8.869 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 13 -ATOM 20749 N N . ILE A 1 97 ? 6.645 -11.687 -1.726 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 13 -ATOM 20750 C CA . ILE A 1 97 ? 8.079 -11.667 -1.527 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 13 -ATOM 20751 C C . ILE A 1 97 ? 8.604 -13.101 -1.580 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 13 -ATOM 20752 O O . ILE A 1 97 ? 9.711 -13.364 -2.078 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 13 -ATOM 20753 C CB . ILE A 1 97 ? 8.495 -10.950 -0.175 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 13 -ATOM 20754 C CG1 . ILE A 1 97 ? 8.329 -9.408 -0.254 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 13 -ATOM 20755 C CG2 . ILE A 1 97 ? 9.927 -11.288 0.244 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 13 -ATOM 20756 C CD1 . ILE A 1 97 ? 6.910 -8.893 -0.371 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 13 -ATOM 20757 H H . ILE A 1 97 ? 6.051 -11.778 -0.952 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 13 -ATOM 20758 H HA . ILE A 1 97 ? 8.502 -11.126 -2.362 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 13 -ATOM 20759 H HB . ILE A 1 97 ? 7.839 -11.325 0.597 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 13 -ATOM 20760 H HG12 . ILE A 1 97 ? 8.741 -8.971 0.641 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 13 -ATOM 20761 H HG13 . ILE A 1 97 ? 8.889 -9.046 -1.103 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 13 -ATOM 20762 H HG21 . ILE A 1 97 ? 10.611 -10.966 -0.527 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 13 -ATOM 20763 H HG22 . ILE A 1 97 ? 10.016 -12.356 0.378 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 13 -ATOM 20764 H HG23 . ILE A 1 97 ? 10.163 -10.787 1.170 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 13 -ATOM 20765 H HD11 . ILE A 1 97 ? 6.458 -9.288 -1.269 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 13 -ATOM 20766 H HD12 . ILE A 1 97 ? 6.925 -7.815 -0.421 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 13 -ATOM 20767 H HD13 . ILE A 1 97 ? 6.337 -9.206 0.489 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 13 -ATOM 20768 N N . LEU A 1 98 ? 7.790 -14.012 -1.118 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 13 -ATOM 20769 C CA . LEU A 1 98 ? 8.124 -15.408 -1.115 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 13 -ATOM 20770 C C . LEU A 1 98 ? 7.557 -16.059 -2.371 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 13 -ATOM 20771 O O . LEU A 1 98 ? 8.237 -16.066 -3.419 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 13 -ATOM 20772 C CB . LEU A 1 98 ? 7.545 -16.069 0.143 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 13 -ATOM 20773 C CG . LEU A 1 98 ? 7.986 -15.468 1.484 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 13 -ATOM 20774 C CD1 . LEU A 1 98 ? 7.249 -16.127 2.631 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 13 -ATOM 20775 C CD2 . LEU A 1 98 ? 9.488 -15.610 1.672 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 13 -ATOM 20776 O OXT . LEU A 1 98 ? 6.421 -16.545 -2.339 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 13 -ATOM 20777 H H . LEU A 1 98 ? 6.918 -13.744 -0.760 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 13 -ATOM 20778 H HA . LEU A 1 98 ? 9.199 -15.509 -1.108 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 13 -ATOM 20779 H HB2 . LEU A 1 98 ? 6.469 -16.000 0.088 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 13 -ATOM 20780 H HB3 . LEU A 1 98 ? 7.821 -17.113 0.134 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 13 -ATOM 20781 H HG . LEU A 1 98 ? 7.739 -14.417 1.493 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 13 -ATOM 20782 H HD11 . LEU A 1 98 ? 6.186 -15.988 2.508 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 13 -ATOM 20783 H HD12 . LEU A 1 98 ? 7.566 -15.685 3.564 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 13 -ATOM 20784 H HD13 . LEU A 1 98 ? 7.478 -17.182 2.640 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 13 -ATOM 20785 H HD21 . LEU A 1 98 ? 9.771 -15.194 2.628 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 13 -ATOM 20786 H HD22 . LEU A 1 98 ? 10.001 -15.077 0.885 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 13 -ATOM 20787 H HD23 . LEU A 1 98 ? 9.761 -16.654 1.637 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 13 -ATOM 20788 N N . MET A 1 4 ? 11.867 14.601 -2.050 1.00 0.00 ? ? ? ? ? ? 1 MET A N 14 -ATOM 20789 C CA . MET A 1 4 ? 11.762 13.774 -3.250 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 14 -ATOM 20790 C C . MET A 1 4 ? 10.439 13.066 -3.255 1.00 0.00 ? ? ? ? ? ? 1 MET A C 14 -ATOM 20791 O O . MET A 1 4 ? 10.009 12.529 -2.225 1.00 0.00 ? ? ? ? ? ? 1 MET A O 14 -ATOM 20792 C CB . MET A 1 4 ? 12.889 12.738 -3.294 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 14 -ATOM 20793 C CG . MET A 1 4 ? 12.929 11.882 -4.557 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 14 -ATOM 20794 S SD . MET A 1 4 ? 13.225 12.860 -6.044 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 14 -ATOM 20795 C CE . MET A 1 4 ? 13.264 11.572 -7.296 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 14 -ATOM 20796 H H . MET A 1 4 ? 11.811 14.030 -1.184 1.00 0.00 ? ? ? ? ? ? 1 MET A H 14 -ATOM 20797 H HA . MET A 1 4 ? 11.825 14.407 -4.122 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 14 -ATOM 20798 H HB2 . MET A 1 4 ? 13.833 13.254 -3.226 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 14 -ATOM 20799 H HB3 . MET A 1 4 ? 12.761 12.084 -2.447 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 14 -ATOM 20800 H HG2 . MET A 1 4 ? 13.721 11.155 -4.460 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 14 -ATOM 20801 H HG3 . MET A 1 4 ? 11.983 11.373 -4.660 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 14 -ATOM 20802 H HE1 . MET A 1 4 ? 13.454 12.018 -8.261 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 14 -ATOM 20803 H HE2 . MET A 1 4 ? 12.311 11.065 -7.316 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 14 -ATOM 20804 H HE3 . MET A 1 4 ? 14.046 10.865 -7.064 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 14 -ATOM 20805 N N . ALA A 1 5 ? 9.812 13.059 -4.397 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 14 -ATOM 20806 C CA . ALA A 1 5 ? 8.551 12.395 -4.588 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 14 -ATOM 20807 C C . ALA A 1 5 ? 8.793 11.087 -5.300 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 14 -ATOM 20808 O O . ALA A 1 5 ? 9.580 11.018 -6.259 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 14 -ATOM 20809 C CB . ALA A 1 5 ? 7.586 13.265 -5.383 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 14 -ATOM 20810 H H . ALA A 1 5 ? 10.231 13.503 -5.164 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 14 -ATOM 20811 H HA . ALA A 1 5 ? 8.126 12.196 -3.615 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 14 -ATOM 20812 H HB1 . ALA A 1 5 ? 8.007 13.475 -6.355 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 14 -ATOM 20813 H HB2 . ALA A 1 5 ? 7.409 14.189 -4.855 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 14 -ATOM 20814 H HB3 . ALA A 1 5 ? 6.652 12.734 -5.505 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 14 -ATOM 20815 N N . TYR A 1 6 ? 8.163 10.066 -4.820 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 14 -ATOM 20816 C CA . TYR A 1 6 ? 8.305 8.735 -5.359 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 14 -ATOM 20817 C C . TYR A 1 6 ? 7.180 8.445 -6.345 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 14 -ATOM 20818 O O . TYR A 1 6 ? 6.226 9.215 -6.452 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 14 -ATOM 20819 C CB . TYR A 1 6 ? 8.301 7.691 -4.217 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 14 -ATOM 20820 C CG . TYR A 1 6 ? 9.521 7.720 -3.287 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 14 -ATOM 20821 C CD1 . TYR A 1 6 ? 9.983 8.906 -2.722 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 14 -ATOM 20822 C CD2 . TYR A 1 6 ? 10.191 6.547 -2.962 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 14 -ATOM 20823 C CE1 . TYR A 1 6 ? 11.065 8.925 -1.874 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 14 -ATOM 20824 C CE2 . TYR A 1 6 ? 11.282 6.559 -2.111 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 14 -ATOM 20825 C CZ . TYR A 1 6 ? 11.715 7.752 -1.573 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 14 -ATOM 20826 O OH . TYR A 1 6 ? 12.785 7.777 -0.703 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 14 -ATOM 20827 H H . TYR A 1 6 ? 7.562 10.211 -4.058 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 14 -ATOM 20828 H HA . TYR A 1 6 ? 9.250 8.681 -5.875 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 14 -ATOM 20829 H HB2 . TYR A 1 6 ? 7.428 7.851 -3.603 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 14 -ATOM 20830 H HB3 . TYR A 1 6 ? 8.240 6.706 -4.656 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 14 -ATOM 20831 H HD1 . TYR A 1 6 ? 9.477 9.830 -2.960 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 14 -ATOM 20832 H HD2 . TYR A 1 6 ? 9.852 5.614 -3.387 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 14 -ATOM 20833 H HE1 . TYR A 1 6 ? 11.402 9.859 -1.449 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 14 -ATOM 20834 H HE2 . TYR A 1 6 ? 11.793 5.637 -1.875 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 14 -ATOM 20835 H HH . TYR A 1 6 ? 13.329 6.977 -0.837 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 14 -ATOM 20836 N N . PHE A 1 7 ? 7.313 7.367 -7.070 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 14 -ATOM 20837 C CA . PHE A 1 7 ? 6.289 6.917 -8.004 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 14 -ATOM 20838 C C . PHE A 1 7 ? 5.339 5.982 -7.264 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 14 -ATOM 20839 O O . PHE A 1 7 ? 5.700 5.459 -6.222 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 14 -ATOM 20840 C CB . PHE A 1 7 ? 6.936 6.174 -9.185 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 14 -ATOM 20841 C CG . PHE A 1 7 ? 7.820 7.024 -10.055 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 14 -ATOM 20842 C CD1 . PHE A 1 7 ? 7.290 7.709 -11.130 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 14 -ATOM 20843 C CD2 . PHE A 1 7 ? 9.181 7.132 -9.803 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 14 -ATOM 20844 C CE1 . PHE A 1 7 ? 8.094 8.485 -11.939 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 14 -ATOM 20845 C CE2 . PHE A 1 7 ? 9.990 7.909 -10.608 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 14 -ATOM 20846 C CZ . PHE A 1 7 ? 9.445 8.586 -11.678 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 14 -ATOM 20847 H H . PHE A 1 7 ? 8.134 6.835 -6.969 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 14 -ATOM 20848 H HA . PHE A 1 7 ? 5.744 7.776 -8.366 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 14 -ATOM 20849 H HB2 . PHE A 1 7 ? 7.559 5.386 -8.786 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 14 -ATOM 20850 H HB3 . PHE A 1 7 ? 6.165 5.737 -9.802 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 14 -ATOM 20851 H HD1 . PHE A 1 7 ? 6.233 7.631 -11.332 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 14 -ATOM 20852 H HD2 . PHE A 1 7 ? 9.607 6.600 -8.964 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 14 -ATOM 20853 H HE1 . PHE A 1 7 ? 7.662 9.011 -12.777 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 14 -ATOM 20854 H HE2 . PHE A 1 7 ? 11.047 7.988 -10.401 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 14 -ATOM 20855 H HZ . PHE A 1 7 ? 10.074 9.195 -12.312 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 14 -ATOM 20856 N N . LEU A 1 8 ? 4.147 5.781 -7.772 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 14 -ATOM 20857 C CA . LEU A 1 8 ? 3.193 4.888 -7.118 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 14 -ATOM 20858 C C . LEU A 1 8 ? 2.736 3.849 -8.138 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 14 -ATOM 20859 O O . LEU A 1 8 ? 2.229 4.212 -9.212 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 14 -ATOM 20860 C CB . LEU A 1 8 ? 1.971 5.699 -6.593 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 14 -ATOM 20861 C CG . LEU A 1 8 ? 1.103 5.088 -5.440 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 14 -ATOM 20862 C CD1 . LEU A 1 8 ? 0.503 3.737 -5.775 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 14 -ATOM 20863 C CD2 . LEU A 1 8 ? 1.885 5.003 -4.153 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 14 -ATOM 20864 H H . LEU A 1 8 ? 3.886 6.228 -8.607 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 14 -ATOM 20865 H HA . LEU A 1 8 ? 3.687 4.396 -6.294 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 14 -ATOM 20866 H HB2 . LEU A 1 8 ? 2.339 6.655 -6.254 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 14 -ATOM 20867 H HB3 . LEU A 1 8 ? 1.321 5.882 -7.435 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 14 -ATOM 20868 H HG . LEU A 1 8 ? 0.274 5.759 -5.269 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 14 -ATOM 20869 H HD11 . LEU A 1 8 ? 1.296 3.064 -6.066 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 14 -ATOM 20870 H HD12 . LEU A 1 8 ? -0.220 3.831 -6.571 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 14 -ATOM 20871 H HD13 . LEU A 1 8 ? 0.030 3.347 -4.886 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 14 -ATOM 20872 H HD21 . LEU A 1 8 ? 2.199 5.988 -3.844 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 14 -ATOM 20873 H HD22 . LEU A 1 8 ? 2.745 4.370 -4.309 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 14 -ATOM 20874 H HD23 . LEU A 1 8 ? 1.263 4.567 -3.386 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 14 -ATOM 20875 N N . ASP A 1 9 ? 2.908 2.582 -7.824 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 14 -ATOM 20876 C CA . ASP A 1 9 ? 2.464 1.516 -8.718 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 14 -ATOM 20877 C C . ASP A 1 9 ? 1.805 0.422 -7.891 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 14 -ATOM 20878 O O . ASP A 1 9 ? 2.114 0.266 -6.701 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 14 -ATOM 20879 C CB . ASP A 1 9 ? 3.643 0.952 -9.529 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 14 -ATOM 20880 C CG . ASP A 1 9 ? 3.215 0.074 -10.696 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 14 -ATOM 20881 O OD1 . ASP A 1 9 ? 2.691 0.616 -11.714 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 14 -ATOM 20882 O OD2 . ASP A 1 9 ? 3.399 -1.147 -10.641 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 14 -ATOM 20883 H H . ASP A 1 9 ? 3.326 2.333 -6.966 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 14 -ATOM 20884 H HA . ASP A 1 9 ? 1.728 1.934 -9.387 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 14 -ATOM 20885 H HB2 . ASP A 1 9 ? 4.255 1.755 -9.907 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 14 -ATOM 20886 H HB3 . ASP A 1 9 ? 4.219 0.339 -8.855 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 14 -ATOM 20887 N N . PHE A 1 10 ? 0.901 -0.300 -8.487 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 14 -ATOM 20888 C CA . PHE A 1 10 ? 0.148 -1.332 -7.790 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 14 -ATOM 20889 C C . PHE A 1 10 ? 0.429 -2.683 -8.408 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 14 -ATOM 20890 O O . PHE A 1 10 ? 0.479 -2.806 -9.629 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 14 -ATOM 20891 C CB . PHE A 1 10 ? -1.366 -1.098 -7.919 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 14 -ATOM 20892 C CG . PHE A 1 10 ? -1.909 0.205 -7.403 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 14 -ATOM 20893 C CD1 . PHE A 1 10 ? -1.927 1.334 -8.209 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 14 -ATOM 20894 C CD2 . PHE A 1 10 ? -2.438 0.291 -6.130 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 14 -ATOM 20895 C CE1 . PHE A 1 10 ? -2.454 2.522 -7.750 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 14 -ATOM 20896 C CE2 . PHE A 1 10 ? -2.970 1.474 -5.666 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 14 -ATOM 20897 C CZ . PHE A 1 10 ? -2.978 2.592 -6.476 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 14 -ATOM 20898 H H . PHE A 1 10 ? 0.745 -0.168 -9.445 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 14 -ATOM 20899 H HA . PHE A 1 10 ? 0.413 -1.329 -6.745 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 14 -ATOM 20900 H HB2 . PHE A 1 10 ? -1.627 -1.150 -8.966 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 14 -ATOM 20901 H HB3 . PHE A 1 10 ? -1.877 -1.900 -7.406 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 14 -ATOM 20902 H HD1 . PHE A 1 10 ? -1.518 1.280 -9.207 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 14 -ATOM 20903 H HD2 . PHE A 1 10 ? -2.427 -0.582 -5.492 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 14 -ATOM 20904 H HE1 . PHE A 1 10 ? -2.459 3.395 -8.387 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 14 -ATOM 20905 H HE2 . PHE A 1 10 ? -3.382 1.527 -4.669 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 14 -ATOM 20906 H HZ . PHE A 1 10 ? -3.396 3.519 -6.113 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 14 -ATOM 20907 N N . ASP A 1 11 ? 0.602 -3.681 -7.584 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 14 -ATOM 20908 C CA . ASP A 1 11 ? 0.727 -5.055 -8.056 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 14 -ATOM 20909 C C . ASP A 1 11 ? -0.624 -5.541 -8.581 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 14 -ATOM 20910 O O . ASP A 1 11 ? -1.669 -5.026 -8.166 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 14 -ATOM 20911 C CB . ASP A 1 11 ? 1.209 -5.973 -6.935 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 14 -ATOM 20912 C CG . ASP A 1 11 ? 1.173 -7.419 -7.334 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 14 -ATOM 20913 O OD1 . ASP A 1 11 ? 2.032 -7.871 -8.116 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 14 -ATOM 20914 O OD2 . ASP A 1 11 ? 0.267 -8.134 -6.883 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 14 -ATOM 20915 H H . ASP A 1 11 ? 0.657 -3.512 -6.615 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 14 -ATOM 20916 H HA . ASP A 1 11 ? 1.443 -5.067 -8.864 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 14 -ATOM 20917 H HB2 . ASP A 1 11 ? 2.223 -5.714 -6.671 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 14 -ATOM 20918 H HB3 . ASP A 1 11 ? 0.572 -5.836 -6.073 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 14 -ATOM 20919 N N . GLU A 1 12 ? -0.615 -6.511 -9.483 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 14 -ATOM 20920 C CA . GLU A 1 12 ? -1.836 -7.008 -10.069 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 14 -ATOM 20921 C C . GLU A 1 12 ? -2.830 -7.591 -9.043 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 14 -ATOM 20922 O O . GLU A 1 12 ? -4.038 -7.452 -9.234 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 14 -ATOM 20923 C CB . GLU A 1 12 ? -1.578 -7.908 -11.306 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 14 -ATOM 20924 C CG . GLU A 1 12 ? -0.738 -9.172 -11.098 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 14 -ATOM 20925 C CD . GLU A 1 12 ? -1.515 -10.335 -10.530 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 14 -ATOM 20926 O OE1 . GLU A 1 12 ? -2.456 -10.814 -11.197 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 14 -ATOM 20927 O OE2 . GLU A 1 12 ? -1.193 -10.807 -9.439 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 14 -ATOM 20928 H H . GLU A 1 12 ? 0.247 -6.907 -9.739 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 14 -ATOM 20929 H HA . GLU A 1 12 ? -2.324 -6.109 -10.419 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 14 -ATOM 20930 H HB2 . GLU A 1 12 ? -2.533 -8.228 -11.696 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 14 -ATOM 20931 H HB3 . GLU A 1 12 ? -1.095 -7.303 -12.060 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 14 -ATOM 20932 H HG2 . GLU A 1 12 ? -0.324 -9.478 -12.046 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 14 -ATOM 20933 H HG3 . GLU A 1 12 ? 0.069 -8.932 -10.422 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 14 -ATOM 20934 N N . ARG A 1 13 ? -2.333 -8.174 -7.932 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 14 -ATOM 20935 C CA . ARG A 1 13 ? -3.227 -8.668 -6.872 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 14 -ATOM 20936 C C . ARG A 1 13 ? -3.850 -7.497 -6.146 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 14 -ATOM 20937 O O . ARG A 1 13 ? -5.041 -7.520 -5.789 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 14 -ATOM 20938 C CB . ARG A 1 13 ? -2.513 -9.568 -5.849 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 14 -ATOM 20939 C CG . ARG A 1 13 ? -2.033 -10.892 -6.392 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 14 -ATOM 20940 C CD . ARG A 1 13 ? -1.471 -11.775 -5.287 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 14 -ATOM 20941 N NE . ARG A 1 13 ? -0.987 -13.056 -5.813 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 14 -ATOM 20942 C CZ . ARG A 1 13 ? -0.568 -14.102 -5.082 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 14 -ATOM 20943 N NH1 . ARG A 1 13 ? -0.644 -14.082 -3.748 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 14 -ATOM 20944 N NH2 . ARG A 1 13 ? -0.113 -15.191 -5.692 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 14 -ATOM 20945 H H . ARG A 1 13 ? -1.356 -8.268 -7.816 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 14 -ATOM 20946 H HA . ARG A 1 13 ? -4.016 -9.226 -7.352 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 14 -ATOM 20947 H HB2 . ARG A 1 13 ? -1.654 -9.036 -5.467 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 14 -ATOM 20948 H HB3 . ARG A 1 13 ? -3.191 -9.764 -5.031 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 14 -ATOM 20949 H HG2 . ARG A 1 13 ? -2.865 -11.401 -6.856 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 14 -ATOM 20950 H HG3 . ARG A 1 13 ? -1.261 -10.710 -7.126 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 14 -ATOM 20951 H HD2 . ARG A 1 13 ? -0.648 -11.259 -4.814 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 14 -ATOM 20952 H HD3 . ARG A 1 13 ? -2.247 -11.964 -4.561 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 14 -ATOM 20953 H HE . ARG A 1 13 ? -0.976 -13.096 -6.796 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 14 -ATOM 20954 H HH11 . ARG A 1 13 ? -1.014 -13.308 -3.210 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 14 -ATOM 20955 H HH12 . ARG A 1 13 ? -0.330 -14.867 -3.207 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 14 -ATOM 20956 H HH21 . ARG A 1 13 ? -0.066 -15.271 -6.693 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 14 -ATOM 20957 H HH22 . ARG A 1 13 ? 0.211 -15.990 -5.178 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 14 -ATOM 20958 N N . ALA A 1 14 ? -3.052 -6.463 -5.957 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 14 -ATOM 20959 C CA . ALA A 1 14 ? -3.495 -5.260 -5.295 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 14 -ATOM 20960 C C . ALA A 1 14 ? -4.549 -4.560 -6.131 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 14 -ATOM 20961 O O . ALA A 1 14 ? -5.522 -4.065 -5.602 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 14 -ATOM 20962 C CB . ALA A 1 14 ? -2.324 -4.330 -5.025 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 14 -ATOM 20963 H H . ALA A 1 14 ? -2.128 -6.523 -6.282 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 14 -ATOM 20964 H HA . ALA A 1 14 ? -3.933 -5.546 -4.350 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 14 -ATOM 20965 H HB1 . ALA A 1 14 ? -1.878 -4.036 -5.964 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 14 -ATOM 20966 H HB2 . ALA A 1 14 ? -1.590 -4.837 -4.417 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 14 -ATOM 20967 H HB3 . ALA A 1 14 ? -2.681 -3.451 -4.508 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 14 -ATOM 20968 N N . LEU A 1 15 ? -4.362 -4.575 -7.451 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 14 -ATOM 20969 C CA . LEU A 1 15 ? -5.288 -3.955 -8.382 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 14 -ATOM 20970 C C . LEU A 1 15 ? -6.658 -4.582 -8.296 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 14 -ATOM 20971 O O . LEU A 1 15 ? -7.661 -3.888 -8.257 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 14 -ATOM 20972 C CB . LEU A 1 15 ? -4.765 -4.047 -9.818 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 14 -ATOM 20973 C CG . LEU A 1 15 ? -3.612 -3.113 -10.192 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 14 -ATOM 20974 C CD1 . LEU A 1 15 ? -3.100 -3.442 -11.583 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 14 -ATOM 20975 C CD2 . LEU A 1 15 ? -4.080 -1.661 -10.148 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 14 -ATOM 20976 H H . LEU A 1 15 ? -3.564 -5.023 -7.812 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 14 -ATOM 20977 H HA . LEU A 1 15 ? -5.372 -2.912 -8.116 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 14 -ATOM 20978 H HB2 . LEU A 1 15 ? -4.439 -5.063 -9.983 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 14 -ATOM 20979 H HB3 . LEU A 1 15 ? -5.592 -3.847 -10.479 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 14 -ATOM 20980 H HG . LEU A 1 15 ? -2.804 -3.232 -9.486 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 14 -ATOM 20981 H HD11 . LEU A 1 15 ? -2.279 -2.782 -11.823 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 14 -ATOM 20982 H HD12 . LEU A 1 15 ? -3.897 -3.302 -12.299 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 14 -ATOM 20983 H HD13 . LEU A 1 15 ? -2.762 -4.466 -11.618 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 14 -ATOM 20984 H HD21 . LEU A 1 15 ? -4.916 -1.532 -10.817 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 14 -ATOM 20985 H HD22 . LEU A 1 15 ? -3.272 -1.017 -10.461 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 14 -ATOM 20986 H HD23 . LEU A 1 15 ? -4.374 -1.395 -9.143 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 14 -ATOM 20987 N N . LYS A 1 16 ? -6.688 -5.891 -8.230 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 14 -ATOM 20988 C CA . LYS A 1 16 ? -7.937 -6.640 -8.176 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 14 -ATOM 20989 C C . LYS A 1 16 ? -8.737 -6.278 -6.927 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 14 -ATOM 20990 O O . LYS A 1 16 ? -9.946 -6.011 -7.001 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 14 -ATOM 20991 C CB . LYS A 1 16 ? -7.612 -8.119 -8.196 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 14 -ATOM 20992 C CG . LYS A 1 16 ? -6.927 -8.549 -9.472 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 14 -ATOM 20993 C CD . LYS A 1 16 ? -6.299 -9.912 -9.337 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 14 -ATOM 20994 C CE . LYS A 1 16 ? -5.669 -10.361 -10.650 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 14 -ATOM 20995 N NZ . LYS A 1 16 ? -5.021 -11.684 -10.536 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 14 -ATOM 20996 H H . LYS A 1 16 ? -5.833 -6.374 -8.216 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 14 -ATOM 20997 H HA . LYS A 1 16 ? -8.516 -6.398 -9.053 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 14 -ATOM 20998 H HB2 . LYS A 1 16 ? -6.962 -8.344 -7.362 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 14 -ATOM 20999 H HB3 . LYS A 1 16 ? -8.529 -8.680 -8.095 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 14 -ATOM 21000 H HG2 . LYS A 1 16 ? -7.650 -8.570 -10.274 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 14 -ATOM 21001 H HG3 . LYS A 1 16 ? -6.158 -7.828 -9.707 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 14 -ATOM 21002 H HD2 . LYS A 1 16 ? -5.531 -9.821 -8.583 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 14 -ATOM 21003 H HD3 . LYS A 1 16 ? -7.046 -10.621 -9.017 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 14 -ATOM 21004 H HE2 . LYS A 1 16 ? -6.439 -10.416 -11.405 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 14 -ATOM 21005 H HE3 . LYS A 1 16 ? -4.932 -9.630 -10.945 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 14 -ATOM 21006 H HZ1 . LYS A 1 16 ? -4.260 -11.655 -9.826 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 14 -ATOM 21007 H HZ2 . LYS A 1 16 ? -4.574 -11.936 -11.442 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 14 -ATOM 21008 H HZ3 . LYS A 1 16 ? -5.704 -12.419 -10.262 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 14 -ATOM 21009 N N . GLU A 1 17 ? -8.055 -6.210 -5.800 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 14 -ATOM 21010 C CA . GLU A 1 17 ? -8.677 -5.813 -4.560 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 14 -ATOM 21011 C C . GLU A 1 17 ? -9.047 -4.330 -4.575 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 14 -ATOM 21012 O O . GLU A 1 17 ? -10.089 -3.951 -4.081 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 14 -ATOM 21013 C CB . GLU A 1 17 ? -7.764 -6.149 -3.403 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 14 -ATOM 21014 C CG . GLU A 1 17 ? -7.555 -7.640 -3.250 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 14 -ATOM 21015 C CD . GLU A 1 17 ? -8.843 -8.364 -2.923 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 14 -ATOM 21016 O OE1 . GLU A 1 17 ? -9.293 -8.319 -1.746 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 14 -ATOM 21017 O OE2 . GLU A 1 17 ? -9.453 -8.959 -3.843 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 14 -ATOM 21018 H H . GLU A 1 17 ? -7.106 -6.468 -5.776 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 14 -ATOM 21019 H HA . GLU A 1 17 ? -9.590 -6.384 -4.455 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 14 -ATOM 21020 H HB2 . GLU A 1 17 ? -6.805 -5.679 -3.566 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 14 -ATOM 21021 H HB3 . GLU A 1 17 ? -8.195 -5.770 -2.489 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 14 -ATOM 21022 H HG2 . GLU A 1 17 ? -7.193 -8.012 -4.198 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 14 -ATOM 21023 H HG3 . GLU A 1 17 ? -6.813 -7.835 -2.496 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 14 -ATOM 21024 N N . TRP A 1 18 ? -8.197 -3.517 -5.180 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 14 -ATOM 21025 C CA . TRP A 1 18 ? -8.400 -2.067 -5.314 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 14 -ATOM 21026 C C . TRP A 1 18 ? -9.680 -1.772 -6.110 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 14 -ATOM 21027 O O . TRP A 1 18 ? -10.406 -0.818 -5.828 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 14 -ATOM 21028 C CB . TRP A 1 18 ? -7.169 -1.465 -6.015 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 14 -ATOM 21029 C CG . TRP A 1 18 ? -7.199 0.012 -6.242 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 14 -ATOM 21030 C CD1 . TRP A 1 18 ? -7.540 0.653 -7.395 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 14 -ATOM 21031 C CD2 . TRP A 1 18 ? -6.851 1.031 -5.300 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 14 -ATOM 21032 N NE1 . TRP A 1 18 ? -7.430 2.008 -7.228 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 14 -ATOM 21033 C CE2 . TRP A 1 18 ? -7.009 2.268 -5.951 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 14 -ATOM 21034 C CE3 . TRP A 1 18 ? -6.425 1.020 -3.968 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 14 -ATOM 21035 C CZ2 . TRP A 1 18 ? -6.752 3.480 -5.319 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 14 -ATOM 21036 C CZ3 . TRP A 1 18 ? -6.172 2.223 -3.342 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 14 -ATOM 21037 C CH2 . TRP A 1 18 ? -6.337 3.436 -4.016 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 14 -ATOM 21038 H H . TRP A 1 18 ? -7.360 -3.895 -5.538 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 14 -ATOM 21039 H HA . TRP A 1 18 ? -8.484 -1.642 -4.325 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 14 -ATOM 21040 H HB2 . TRP A 1 18 ? -6.292 -1.677 -5.423 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 14 -ATOM 21041 H HB3 . TRP A 1 18 ? -7.058 -1.950 -6.974 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 14 -ATOM 21042 H HD1 . TRP A 1 18 ? -7.851 0.143 -8.297 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 14 -ATOM 21043 H HE1 . TRP A 1 18 ? -7.616 2.683 -7.920 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 14 -ATOM 21044 H HE3 . TRP A 1 18 ? -6.293 0.091 -3.433 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 14 -ATOM 21045 H HZ2 . TRP A 1 18 ? -6.875 4.426 -5.823 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 14 -ATOM 21046 H HZ3 . TRP A 1 18 ? -5.841 2.239 -2.314 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 14 -ATOM 21047 H HH2 . TRP A 1 18 ? -6.126 4.352 -3.486 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 14 -ATOM 21048 N N . ARG A 1 19 ? -9.932 -2.591 -7.105 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 14 -ATOM 21049 C CA . ARG A 1 19 ? -11.128 -2.490 -7.932 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 14 -ATOM 21050 C C . ARG A 1 19 ? -12.348 -3.001 -7.175 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 14 -ATOM 21051 O O . ARG A 1 19 ? -13.474 -2.553 -7.399 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 14 -ATOM 21052 C CB . ARG A 1 19 ? -10.923 -3.263 -9.229 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 14 -ATOM 21053 C CG . ARG A 1 19 ? -9.792 -2.704 -10.066 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 14 -ATOM 21054 C CD . ARG A 1 19 ? -9.484 -3.563 -11.266 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 14 -ATOM 21055 N NE . ARG A 1 19 ? -8.322 -3.046 -11.986 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 14 -ATOM 21056 C CZ . ARG A 1 19 ? -7.579 -3.714 -12.871 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 14 -ATOM 21057 N NH1 . ARG A 1 19 ? -7.929 -4.933 -13.256 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 14 -ATOM 21058 N NH2 . ARG A 1 19 ? -6.506 -3.129 -13.399 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 14 -ATOM 21059 H H . ARG A 1 19 ? -9.264 -3.289 -7.296 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 14 -ATOM 21060 H HA . ARG A 1 19 ? -11.279 -1.447 -8.165 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 14 -ATOM 21061 H HB2 . ARG A 1 19 ? -10.687 -4.287 -8.977 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 14 -ATOM 21062 H HB3 . ARG A 1 19 ? -11.831 -3.241 -9.811 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 14 -ATOM 21063 H HG2 . ARG A 1 19 ? -10.054 -1.714 -10.406 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 14 -ATOM 21064 H HG3 . ARG A 1 19 ? -8.909 -2.638 -9.446 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 14 -ATOM 21065 H HD2 . ARG A 1 19 ? -9.270 -4.564 -10.922 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 14 -ATOM 21066 H HD3 . ARG A 1 19 ? -10.338 -3.568 -11.927 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 14 -ATOM 21067 H HE . ARG A 1 19 ? -8.075 -2.119 -11.766 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 14 -ATOM 21068 H HH11 . ARG A 1 19 ? -8.752 -5.389 -12.909 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 14 -ATOM 21069 H HH12 . ARG A 1 19 ? -7.381 -5.446 -13.922 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 14 -ATOM 21070 H HH21 . ARG A 1 19 ? -6.237 -2.188 -13.161 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 14 -ATOM 21071 H HH22 . ARG A 1 19 ? -5.901 -3.587 -14.057 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 14 -ATOM 21072 N N . LYS A 1 20 ? -12.111 -3.929 -6.272 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 14 -ATOM 21073 C CA . LYS A 1 20 ? -13.153 -4.505 -5.440 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 14 -ATOM 21074 C C . LYS A 1 20 ? -13.538 -3.532 -4.309 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 14 -ATOM 21075 O O . LYS A 1 20 ? -14.659 -3.566 -3.789 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 14 -ATOM 21076 C CB . LYS A 1 20 ? -12.664 -5.838 -4.858 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 14 -ATOM 21077 C CG . LYS A 1 20 ? -13.689 -6.560 -4.022 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 14 -ATOM 21078 C CD . LYS A 1 20 ? -13.156 -7.867 -3.488 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 14 -ATOM 21079 C CE . LYS A 1 20 ? -14.187 -8.551 -2.614 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 14 -ATOM 21080 N NZ . LYS A 1 20 ? -15.436 -8.879 -3.356 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 14 -ATOM 21081 H H . LYS A 1 20 ? -11.190 -4.252 -6.163 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 14 -ATOM 21082 H HA . LYS A 1 20 ? -14.023 -4.690 -6.053 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 14 -ATOM 21083 H HB2 . LYS A 1 20 ? -12.371 -6.490 -5.666 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 14 -ATOM 21084 H HB3 . LYS A 1 20 ? -11.801 -5.643 -4.239 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 14 -ATOM 21085 H HG2 . LYS A 1 20 ? -13.980 -5.930 -3.195 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 14 -ATOM 21086 H HG3 . LYS A 1 20 ? -14.546 -6.762 -4.645 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 14 -ATOM 21087 H HD2 . LYS A 1 20 ? -12.914 -8.513 -4.319 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 14 -ATOM 21088 H HD3 . LYS A 1 20 ? -12.265 -7.683 -2.907 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 14 -ATOM 21089 H HE2 . LYS A 1 20 ? -13.750 -9.454 -2.220 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 14 -ATOM 21090 H HE3 . LYS A 1 20 ? -14.422 -7.878 -1.803 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 14 -ATOM 21091 H HZ1 . LYS A 1 20 ? -15.885 -8.036 -3.769 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 14 -ATOM 21092 H HZ2 . LYS A 1 20 ? -16.131 -9.305 -2.710 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 14 -ATOM 21093 H HZ3 . LYS A 1 20 ? -15.245 -9.566 -4.115 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 14 -ATOM 21094 N N . LEU A 1 21 ? -12.602 -2.684 -3.936 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 14 -ATOM 21095 C CA . LEU A 1 21 ? -12.809 -1.678 -2.906 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 14 -ATOM 21096 C C . LEU A 1 21 ? -13.852 -0.669 -3.307 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 14 -ATOM 21097 O O . LEU A 1 21 ? -14.061 -0.400 -4.500 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 14 -ATOM 21098 C CB . LEU A 1 21 ? -11.513 -0.943 -2.584 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 14 -ATOM 21099 C CG . LEU A 1 21 ? -10.833 -1.292 -1.266 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 14 -ATOM 21100 C CD1 . LEU A 1 21 ? -10.456 -2.754 -1.199 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 14 -ATOM 21101 C CD2 . LEU A 1 21 ? -9.622 -0.419 -1.072 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 14 -ATOM 21102 H H . LEU A 1 21 ? -11.724 -2.747 -4.372 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 14 -ATOM 21103 H HA . LEU A 1 21 ? -13.139 -2.183 -2.010 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 14 -ATOM 21104 H HB2 . LEU A 1 21 ? -10.814 -1.135 -3.385 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 14 -ATOM 21105 H HB3 . LEU A 1 21 ? -11.732 0.115 -2.578 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 14 -ATOM 21106 H HG . LEU A 1 21 ? -11.516 -1.091 -0.455 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 14 -ATOM 21107 H HD11 . LEU A 1 21 ? -9.970 -2.953 -0.256 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 14 -ATOM 21108 H HD12 . LEU A 1 21 ? -9.793 -3.000 -2.015 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 14 -ATOM 21109 H HD13 . LEU A 1 21 ? -11.356 -3.347 -1.270 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 14 -ATOM 21110 H HD21 . LEU A 1 21 ? -9.942 0.612 -1.059 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 14 -ATOM 21111 H HD22 . LEU A 1 21 ? -8.925 -0.573 -1.883 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 14 -ATOM 21112 H HD23 . LEU A 1 21 ? -9.152 -0.660 -0.131 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 14 -ATOM 21113 N N . GLY A 1 22 ? -14.511 -0.127 -2.319 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 14 -ATOM 21114 C CA . GLY A 1 22 ? -15.497 0.881 -2.557 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 14 -ATOM 21115 C C . GLY A 1 22 ? -14.853 2.154 -3.017 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 14 -ATOM 21116 O O . GLY A 1 22 ? -13.733 2.469 -2.581 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 14 -ATOM 21117 H H . GLY A 1 22 ? -14.316 -0.421 -1.402 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 14 -ATOM 21118 H HA2 . GLY A 1 22 ? -16.192 0.537 -3.309 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 14 -ATOM 21119 H HA3 . GLY A 1 22 ? -16.030 1.074 -1.639 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 14 -ATOM 21120 N N . SER A 1 23 ? -15.537 2.867 -3.891 1.00 0.00 ? ? ? ? ? ? 20 SER A N 14 -ATOM 21121 C CA . SER A 1 23 ? -15.087 4.128 -4.463 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 14 -ATOM 21122 C C . SER A 1 23 ? -14.514 5.075 -3.397 1.00 0.00 ? ? ? ? ? ? 20 SER A C 14 -ATOM 21123 O O . SER A 1 23 ? -13.361 5.487 -3.480 1.00 0.00 ? ? ? ? ? ? 20 SER A O 14 -ATOM 21124 C CB . SER A 1 23 ? -16.275 4.787 -5.164 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 14 -ATOM 21125 O OG . SER A 1 23 ? -16.874 3.875 -6.078 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 14 -ATOM 21126 H H . SER A 1 23 ? -16.403 2.523 -4.204 1.00 0.00 ? ? ? ? ? ? 20 SER A H 14 -ATOM 21127 H HA . SER A 1 23 ? -14.333 3.918 -5.206 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 14 -ATOM 21128 H HB2 . SER A 1 23 ? -17.011 5.081 -4.429 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 14 -ATOM 21129 H HB3 . SER A 1 23 ? -15.936 5.655 -5.709 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 14 -ATOM 21130 H HG . SER A 1 23 ? -17.755 3.640 -5.758 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 14 -ATOM 21131 N N . THR A 1 24 ? -15.286 5.310 -2.364 1.00 0.00 ? ? ? ? ? ? 21 THR A N 14 -ATOM 21132 C CA . THR A 1 24 ? -14.930 6.250 -1.320 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 14 -ATOM 21133 C C . THR A 1 24 ? -13.744 5.721 -0.508 1.00 0.00 ? ? ? ? ? ? 21 THR A C 14 -ATOM 21134 O O . THR A 1 24 ? -12.851 6.482 -0.116 1.00 0.00 ? ? ? ? ? ? 21 THR A O 14 -ATOM 21135 C CB . THR A 1 24 ? -16.134 6.484 -0.379 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 14 -ATOM 21136 O OG1 . THR A 1 24 ? -17.330 6.663 -1.167 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 14 -ATOM 21137 C CG2 . THR A 1 24 ? -15.925 7.733 0.469 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 14 -ATOM 21138 H H . THR A 1 24 ? -16.124 4.806 -2.312 1.00 0.00 ? ? ? ? ? ? 21 THR A H 14 -ATOM 21139 H HA . THR A 1 24 ? -14.660 7.190 -1.778 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 14 -ATOM 21140 H HB . THR A 1 24 ? -16.246 5.628 0.267 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 14 -ATOM 21141 H HG1 . THR A 1 24 ? -17.055 6.953 -2.050 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 14 -ATOM 21142 H HG21 . THR A 1 24 ? -15.827 8.593 -0.177 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 14 -ATOM 21143 H HG22 . THR A 1 24 ? -15.027 7.623 1.058 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 14 -ATOM 21144 H HG23 . THR A 1 24 ? -16.772 7.870 1.125 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 14 -ATOM 21145 N N . VAL A 1 25 ? -13.718 4.412 -0.309 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 14 -ATOM 21146 C CA . VAL A 1 25 ? -12.686 3.774 0.481 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 14 -ATOM 21147 C C . VAL A 1 25 ? -11.346 3.890 -0.219 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 14 -ATOM 21148 O O . VAL A 1 25 ? -10.355 4.337 0.373 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 14 -ATOM 21149 C CB . VAL A 1 25 ? -13.030 2.274 0.707 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 14 -ATOM 21150 C CG1 . VAL A 1 25 ? -11.907 1.537 1.406 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 14 -ATOM 21151 C CG2 . VAL A 1 25 ? -14.311 2.145 1.506 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 14 -ATOM 21152 H H . VAL A 1 25 ? -14.402 3.856 -0.735 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 14 -ATOM 21153 H HA . VAL A 1 25 ? -12.637 4.264 1.441 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 14 -ATOM 21154 H HB . VAL A 1 25 ? -13.192 1.814 -0.258 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 14 -ATOM 21155 H HG11 . VAL A 1 25 ? -10.995 1.636 0.837 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 14 -ATOM 21156 H HG12 . VAL A 1 25 ? -12.165 0.491 1.490 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 14 -ATOM 21157 H HG13 . VAL A 1 25 ? -11.768 1.949 2.393 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 14 -ATOM 21158 H HG21 . VAL A 1 25 ? -15.128 2.554 0.933 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 14 -ATOM 21159 H HG22 . VAL A 1 25 ? -14.211 2.696 2.430 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 14 -ATOM 21160 H HG23 . VAL A 1 25 ? -14.505 1.107 1.729 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 14 -ATOM 21161 N N . ARG A 1 26 ? -11.332 3.560 -1.487 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 14 -ATOM 21162 C CA . ARG A 1 26 ? -10.119 3.638 -2.243 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 14 -ATOM 21163 C C . ARG A 1 26 ? -9.662 5.068 -2.477 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 14 -ATOM 21164 O O . ARG A 1 26 ? -8.479 5.334 -2.482 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 14 -ATOM 21165 C CB . ARG A 1 26 ? -10.148 2.831 -3.522 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 14 -ATOM 21166 C CG . ARG A 1 26 ? -11.269 3.140 -4.484 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 14 -ATOM 21167 C CD . ARG A 1 26 ? -10.881 2.583 -5.828 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 14 -ATOM 21168 N NE . ARG A 1 26 ? -11.849 2.825 -6.888 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 14 -ATOM 21169 C CZ . ARG A 1 26 ? -11.921 2.085 -8.009 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 14 -ATOM 21170 N NH1 . ARG A 1 26 ? -11.203 0.965 -8.117 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 14 -ATOM 21171 N NH2 . ARG A 1 26 ? -12.744 2.433 -8.987 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 14 -ATOM 21172 H H . ARG A 1 26 ? -12.166 3.255 -1.912 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 14 -ATOM 21173 H HA . ARG A 1 26 ? -9.372 3.205 -1.594 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 14 -ATOM 21174 H HB2 . ARG A 1 26 ? -9.215 2.984 -4.045 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 14 -ATOM 21175 H HB3 . ARG A 1 26 ? -10.216 1.786 -3.253 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 14 -ATOM 21176 H HG2 . ARG A 1 26 ? -12.129 2.596 -4.116 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 14 -ATOM 21177 H HG3 . ARG A 1 26 ? -11.525 4.191 -4.516 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 14 -ATOM 21178 H HD2 . ARG A 1 26 ? -9.943 3.036 -6.113 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 14 -ATOM 21179 H HD3 . ARG A 1 26 ? -10.735 1.518 -5.718 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 14 -ATOM 21180 H HE . ARG A 1 26 ? -12.424 3.615 -6.768 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 14 -ATOM 21181 H HH11 . ARG A 1 26 ? -10.610 0.640 -7.376 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 14 -ATOM 21182 H HH12 . ARG A 1 26 ? -11.228 0.430 -8.965 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 14 -ATOM 21183 H HH21 . ARG A 1 26 ? -13.332 3.242 -8.924 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 14 -ATOM 21184 H HH22 . ARG A 1 26 ? -12.817 1.903 -9.839 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 14 -ATOM 21185 N N . GLU A 1 27 ? -10.607 5.984 -2.665 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 14 -ATOM 21186 C CA . GLU A 1 27 ? -10.281 7.399 -2.836 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 14 -ATOM 21187 C C . GLU A 1 27 ? -9.497 7.953 -1.665 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 14 -ATOM 21188 O O . GLU A 1 27 ? -8.522 8.680 -1.852 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 14 -ATOM 21189 C CB . GLU A 1 27 ? -11.529 8.236 -3.081 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 14 -ATOM 21190 C CG . GLU A 1 27 ? -12.050 8.140 -4.500 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 14 -ATOM 21191 C CD . GLU A 1 27 ? -13.208 9.063 -4.763 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 14 -ATOM 21192 O OE1 . GLU A 1 27 ? -12.997 10.302 -4.805 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 14 -ATOM 21193 O OE2 . GLU A 1 27 ? -14.324 8.589 -4.990 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 14 -ATOM 21194 H H . GLU A 1 27 ? -11.549 5.705 -2.708 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 14 -ATOM 21195 H HA . GLU A 1 27 ? -9.651 7.467 -3.711 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 14 -ATOM 21196 H HB2 . GLU A 1 27 ? -12.296 7.857 -2.422 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 14 -ATOM 21197 H HB3 . GLU A 1 27 ? -11.348 9.267 -2.821 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 14 -ATOM 21198 H HG2 . GLU A 1 27 ? -11.251 8.387 -5.182 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 14 -ATOM 21199 H HG3 . GLU A 1 27 ? -12.368 7.124 -4.682 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 14 -ATOM 21200 N N . GLN A 1 28 ? -9.887 7.574 -0.470 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 14 -ATOM 21201 C CA . GLN A 1 28 ? -9.221 8.038 0.723 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 14 -ATOM 21202 C C . GLN A 1 28 ? -7.833 7.411 0.855 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 14 -ATOM 21203 O O . GLN A 1 28 ? -6.879 8.065 1.310 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 14 -ATOM 21204 C CB . GLN A 1 28 ? -10.075 7.733 1.912 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 14 -ATOM 21205 C CG . GLN A 1 28 ? -11.320 8.569 2.007 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 14 -ATOM 21206 C CD . GLN A 1 28 ? -12.296 8.007 3.000 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 14 -ATOM 21207 O OE1 . GLN A 1 28 ? -12.266 8.311 4.187 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 14 -ATOM 21208 N NE2 . GLN A 1 28 ? -13.167 7.181 2.519 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 14 -ATOM 21209 H H . GLN A 1 28 ? -10.637 6.944 -0.372 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 14 -ATOM 21210 H HA . GLN A 1 28 ? -9.109 9.109 0.637 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 14 -ATOM 21211 H HB2 . GLN A 1 28 ? -10.389 6.704 1.819 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 14 -ATOM 21212 H HB3 . GLN A 1 28 ? -9.489 7.874 2.809 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 14 -ATOM 21213 H HG2 . GLN A 1 28 ? -11.041 9.566 2.312 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 14 -ATOM 21214 H HG3 . GLN A 1 28 ? -11.789 8.607 1.034 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 14 -ATOM 21215 H HE21 . GLN A 1 28 ? -13.094 7.009 1.549 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 14 -ATOM 21216 H HE22 . GLN A 1 28 ? -13.853 6.779 3.092 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 14 -ATOM 21217 N N . LEU A 1 29 ? -7.721 6.156 0.439 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 14 -ATOM 21218 C CA . LEU A 1 29 ? -6.445 5.455 0.439 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 14 -ATOM 21219 C C . LEU A 1 29 ? -5.519 6.052 -0.598 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 14 -ATOM 21220 O O . LEU A 1 29 ? -4.332 6.213 -0.354 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 14 -ATOM 21221 C CB . LEU A 1 29 ? -6.634 3.965 0.167 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 14 -ATOM 21222 C CG . LEU A 1 29 ? -7.335 3.155 1.264 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 14 -ATOM 21223 C CD1 . LEU A 1 29 ? -7.549 1.733 0.808 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 14 -ATOM 21224 C CD2 . LEU A 1 29 ? -6.511 3.161 2.546 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 14 -ATOM 21225 H H . LEU A 1 29 ? -8.524 5.683 0.127 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 14 -ATOM 21226 H HA . LEU A 1 29 ? -5.996 5.582 1.412 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 14 -ATOM 21227 H HB2 . LEU A 1 29 ? -7.207 3.888 -0.745 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 14 -ATOM 21228 H HB3 . LEU A 1 29 ? -5.660 3.534 -0.012 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 14 -ATOM 21229 H HG . LEU A 1 29 ? -8.299 3.595 1.476 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 14 -ATOM 21230 H HD11 . LEU A 1 29 ? -8.152 1.728 -0.089 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 14 -ATOM 21231 H HD12 . LEU A 1 29 ? -8.059 1.179 1.584 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 14 -ATOM 21232 H HD13 . LEU A 1 29 ? -6.596 1.270 0.602 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 14 -ATOM 21233 H HD21 . LEU A 1 29 ? -5.538 2.736 2.352 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 14 -ATOM 21234 H HD22 . LEU A 1 29 ? -7.014 2.568 3.296 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 14 -ATOM 21235 H HD23 . LEU A 1 29 ? -6.399 4.173 2.907 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 14 -ATOM 21236 N N . LYS A 1 30 ? -6.082 6.394 -1.745 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 14 -ATOM 21237 C CA . LYS A 1 30 ? -5.342 7.017 -2.822 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 14 -ATOM 21238 C C . LYS A 1 30 ? -4.745 8.336 -2.363 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 14 -ATOM 21239 O O . LYS A 1 30 ? -3.605 8.636 -2.667 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 14 -ATOM 21240 C CB . LYS A 1 30 ? -6.230 7.266 -4.026 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 14 -ATOM 21241 C CG . LYS A 1 30 ? -5.474 7.873 -5.192 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 14 -ATOM 21242 C CD . LYS A 1 30 ? -6.387 8.346 -6.298 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 14 -ATOM 21243 C CE . LYS A 1 30 ? -7.205 9.551 -5.861 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 14 -ATOM 21244 N NZ . LYS A 1 30 ? -8.038 10.073 -6.960 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 14 -ATOM 21245 H H . LYS A 1 30 ? -7.033 6.179 -1.878 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 14 -ATOM 21246 H HA . LYS A 1 30 ? -4.542 6.353 -3.107 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 14 -ATOM 21247 H HB2 . LYS A 1 30 ? -6.663 6.325 -4.339 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 14 -ATOM 21248 H HB3 . LYS A 1 30 ? -7.022 7.935 -3.727 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 14 -ATOM 21249 H HG2 . LYS A 1 30 ? -4.929 8.723 -4.807 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 14 -ATOM 21250 H HG3 . LYS A 1 30 ? -4.779 7.141 -5.578 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 14 -ATOM 21251 H HD2 . LYS A 1 30 ? -5.793 8.616 -7.157 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 14 -ATOM 21252 H HD3 . LYS A 1 30 ? -7.058 7.541 -6.557 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 14 -ATOM 21253 H HE2 . LYS A 1 30 ? -7.850 9.263 -5.045 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 14 -ATOM 21254 H HE3 . LYS A 1 30 ? -6.527 10.322 -5.523 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 14 -ATOM 21255 H HZ1 . LYS A 1 30 ? -7.451 10.376 -7.765 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 14 -ATOM 21256 H HZ2 . LYS A 1 30 ? -8.590 10.894 -6.642 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 14 -ATOM 21257 H HZ3 . LYS A 1 30 ? -8.700 9.346 -7.293 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 14 -ATOM 21258 N N . LYS A 1 31 ? -5.532 9.114 -1.626 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 14 -ATOM 21259 C CA . LYS A 1 31 ? -5.056 10.381 -1.062 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 14 -ATOM 21260 C C . LYS A 1 31 ? -3.832 10.131 -0.195 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 14 -ATOM 21261 O O . LYS A 1 31 ? -2.840 10.870 -0.263 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 14 -ATOM 21262 C CB . LYS A 1 31 ? -6.149 11.065 -0.240 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 14 -ATOM 21263 C CG . LYS A 1 31 ? -7.350 11.498 -1.036 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 14 -ATOM 21264 C CD . LYS A 1 31 ? -8.375 12.148 -0.131 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 14 -ATOM 21265 C CE . LYS A 1 31 ? -9.588 12.590 -0.908 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 14 -ATOM 21266 N NZ . LYS A 1 31 ? -9.252 13.601 -1.936 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 14 -ATOM 21267 H H . LYS A 1 31 ? -6.459 8.824 -1.486 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 14 -ATOM 21268 H HA . LYS A 1 31 ? -4.772 11.023 -1.883 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 14 -ATOM 21269 H HB2 . LYS A 1 31 ? -6.508 10.381 0.514 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 14 -ATOM 21270 H HB3 . LYS A 1 31 ? -5.743 11.940 0.241 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 14 -ATOM 21271 H HG2 . LYS A 1 31 ? -7.037 12.204 -1.792 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 14 -ATOM 21272 H HG3 . LYS A 1 31 ? -7.791 10.635 -1.512 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 14 -ATOM 21273 H HD2 . LYS A 1 31 ? -8.682 11.439 0.623 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 14 -ATOM 21274 H HD3 . LYS A 1 31 ? -7.925 13.007 0.344 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 14 -ATOM 21275 H HE2 . LYS A 1 31 ? -9.990 11.712 -1.392 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 14 -ATOM 21276 H HE3 . LYS A 1 31 ? -10.310 12.995 -0.216 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 14 -ATOM 21277 H HZ1 . LYS A 1 31 ? -8.799 14.438 -1.521 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 14 -ATOM 21278 H HZ2 . LYS A 1 31 ? -10.104 13.915 -2.440 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 14 -ATOM 21279 H HZ3 . LYS A 1 31 ? -8.617 13.204 -2.659 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 14 -ATOM 21280 N N . LYS A 1 32 ? -3.892 9.059 0.579 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 14 -ATOM 21281 C CA . LYS A 1 32 ? -2.778 8.643 1.397 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 14 -ATOM 21282 C C . LYS A 1 32 ? -1.580 8.247 0.573 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 14 -ATOM 21283 O O . LYS A 1 32 ? -0.456 8.549 0.942 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 14 -ATOM 21284 C CB . LYS A 1 32 ? -3.165 7.557 2.401 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 14 -ATOM 21285 C CG . LYS A 1 32 ? -4.066 8.041 3.521 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 14 -ATOM 21286 C CD . LYS A 1 32 ? -3.374 9.135 4.293 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 14 -ATOM 21287 C CE . LYS A 1 32 ? -4.200 9.652 5.433 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 14 -ATOM 21288 N NZ . LYS A 1 32 ? -3.544 10.812 6.079 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 14 -ATOM 21289 H H . LYS A 1 32 ? -4.727 8.545 0.600 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 14 -ATOM 21290 H HA . LYS A 1 32 ? -2.463 9.516 1.935 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 14 -ATOM 21291 H HB2 . LYS A 1 32 ? -3.682 6.770 1.872 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 14 -ATOM 21292 H HB3 . LYS A 1 32 ? -2.264 7.155 2.841 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 14 -ATOM 21293 H HG2 . LYS A 1 32 ? -4.983 8.426 3.099 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 14 -ATOM 21294 H HG3 . LYS A 1 32 ? -4.285 7.217 4.186 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 14 -ATOM 21295 H HD2 . LYS A 1 32 ? -2.436 8.767 4.681 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 14 -ATOM 21296 H HD3 . LYS A 1 32 ? -3.187 9.954 3.615 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 14 -ATOM 21297 H HE2 . LYS A 1 32 ? -5.177 9.918 5.058 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 14 -ATOM 21298 H HE3 . LYS A 1 32 ? -4.296 8.848 6.148 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 14 -ATOM 21299 H HZ1 . LYS A 1 32 ? -3.239 11.491 5.344 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 14 -ATOM 21300 H HZ2 . LYS A 1 32 ? -2.717 10.523 6.636 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 14 -ATOM 21301 H HZ3 . LYS A 1 32 ? -4.209 11.305 6.709 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 14 -ATOM 21302 N N . LEU A 1 33 ? -1.822 7.610 -0.541 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 14 -ATOM 21303 C CA . LEU A 1 33 ? -0.762 7.237 -1.455 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 14 -ATOM 21304 C C . LEU A 1 33 ? -0.109 8.492 -2.030 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 14 -ATOM 21305 O O . LEU A 1 33 ? 1.113 8.589 -2.129 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 14 -ATOM 21306 C CB . LEU A 1 33 ? -1.314 6.362 -2.579 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 14 -ATOM 21307 C CG . LEU A 1 33 ? -1.981 5.060 -2.138 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 14 -ATOM 21308 C CD1 . LEU A 1 33 ? -2.544 4.315 -3.325 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 14 -ATOM 21309 C CD2 . LEU A 1 33 ? -1.002 4.185 -1.374 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 14 -ATOM 21310 H H . LEU A 1 33 ? -2.751 7.370 -0.751 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 14 -ATOM 21311 H HA . LEU A 1 33 ? -0.029 6.676 -0.896 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 14 -ATOM 21312 H HB2 . LEU A 1 33 ? -2.038 6.944 -3.130 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 14 -ATOM 21313 H HB3 . LEU A 1 33 ? -0.497 6.114 -3.242 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 14 -ATOM 21314 H HG . LEU A 1 33 ? -2.803 5.300 -1.478 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 14 -ATOM 21315 H HD11 . LEU A 1 33 ? -1.746 4.068 -4.008 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 14 -ATOM 21316 H HD12 . LEU A 1 33 ? -3.267 4.933 -3.835 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 14 -ATOM 21317 H HD13 . LEU A 1 33 ? -3.020 3.406 -2.989 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 14 -ATOM 21318 H HD21 . LEU A 1 33 ? -0.671 4.723 -0.497 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 14 -ATOM 21319 H HD22 . LEU A 1 33 ? -0.155 3.943 -1.996 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 14 -ATOM 21320 H HD23 . LEU A 1 33 ? -1.495 3.276 -1.065 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 14 -ATOM 21321 N N . VAL A 1 34 ? -0.930 9.464 -2.358 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 14 -ATOM 21322 C CA . VAL A 1 34 ? -0.457 10.712 -2.912 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 14 -ATOM 21323 C C . VAL A 1 34 ? 0.395 11.496 -1.896 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 14 -ATOM 21324 O O . VAL A 1 34 ? 1.491 11.972 -2.235 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 14 -ATOM 21325 C CB . VAL A 1 34 ? -1.650 11.579 -3.424 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 14 -ATOM 21326 C CG1 . VAL A 1 34 ? -1.187 12.938 -3.922 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 14 -ATOM 21327 C CG2 . VAL A 1 34 ? -2.378 10.846 -4.532 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 14 -ATOM 21328 H H . VAL A 1 34 ? -1.894 9.315 -2.237 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 14 -ATOM 21329 H HA . VAL A 1 34 ? 0.170 10.469 -3.757 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 14 -ATOM 21330 H HB . VAL A 1 34 ? -2.353 11.730 -2.617 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 14 -ATOM 21331 H HG11 . VAL A 1 34 ? -0.704 13.460 -3.108 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 14 -ATOM 21332 H HG12 . VAL A 1 34 ? -2.042 13.505 -4.259 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 14 -ATOM 21333 H HG13 . VAL A 1 34 ? -0.488 12.808 -4.735 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 14 -ATOM 21334 H HG21 . VAL A 1 34 ? -2.756 9.917 -4.128 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 14 -ATOM 21335 H HG22 . VAL A 1 34 ? -1.694 10.642 -5.343 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 14 -ATOM 21336 H HG23 . VAL A 1 34 ? -3.202 11.448 -4.882 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 14 -ATOM 21337 N N . GLU A 1 35 ? -0.067 11.599 -0.651 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 14 -ATOM 21338 C CA . GLU A 1 35 ? 0.712 12.300 0.369 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 14 -ATOM 21339 C C . GLU A 1 35 ? 1.977 11.530 0.750 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 14 -ATOM 21340 O O . GLU A 1 35 ? 3.038 12.120 0.943 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 14 -ATOM 21341 C CB . GLU A 1 35 ? -0.106 12.662 1.623 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 14 -ATOM 21342 C CG . GLU A 1 35 ? -0.697 11.485 2.357 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 14 -ATOM 21343 C CD . GLU A 1 35 ? -1.231 11.844 3.720 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 14 -ATOM 21344 O OE1 . GLU A 1 35 ? -0.454 11.820 4.695 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 14 -ATOM 21345 O OE2 . GLU A 1 35 ? -2.438 12.125 3.860 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 14 -ATOM 21346 H H . GLU A 1 35 ? -0.946 11.218 -0.425 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 14 -ATOM 21347 H HA . GLU A 1 35 ? 1.044 13.215 -0.101 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 14 -ATOM 21348 H HB2 . GLU A 1 35 ? 0.528 13.196 2.313 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 14 -ATOM 21349 H HB3 . GLU A 1 35 ? -0.915 13.309 1.316 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 14 -ATOM 21350 H HG2 . GLU A 1 35 ? -1.514 11.120 1.754 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 14 -ATOM 21351 H HG3 . GLU A 1 35 ? 0.053 10.713 2.457 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 14 -ATOM 21352 N N . VAL A 1 36 ? 1.870 10.206 0.813 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 14 -ATOM 21353 C CA . VAL A 1 36 ? 2.974 9.373 1.234 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 14 -ATOM 21354 C C . VAL A 1 36 ? 4.155 9.460 0.267 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 14 -ATOM 21355 O O . VAL A 1 36 ? 5.267 9.361 0.673 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 14 -ATOM 21356 C CB . VAL A 1 36 ? 2.576 7.894 1.543 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 14 -ATOM 21357 C CG1 . VAL A 1 36 ? 2.353 7.066 0.290 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 14 -ATOM 21358 C CG2 . VAL A 1 36 ? 3.599 7.246 2.428 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 14 -ATOM 21359 H H . VAL A 1 36 ? 1.015 9.773 0.589 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 14 -ATOM 21360 H HA . VAL A 1 36 ? 3.319 9.828 2.153 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 14 -ATOM 21361 H HB . VAL A 1 36 ? 1.641 7.918 2.084 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 14 -ATOM 21362 H HG11 . VAL A 1 36 ? 3.283 6.991 -0.254 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 14 -ATOM 21363 H HG12 . VAL A 1 36 ? 1.627 7.570 -0.330 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 14 -ATOM 21364 H HG13 . VAL A 1 36 ? 1.999 6.081 0.553 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 14 -ATOM 21365 H HG21 . VAL A 1 36 ? 3.241 6.275 2.741 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 14 -ATOM 21366 H HG22 . VAL A 1 36 ? 3.818 7.865 3.285 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 14 -ATOM 21367 H HG23 . VAL A 1 36 ? 4.479 7.105 1.820 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 14 -ATOM 21368 N N . LEU A 1 37 ? 3.889 9.674 -1.004 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 14 -ATOM 21369 C CA . LEU A 1 37 ? 4.940 9.777 -2.030 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 14 -ATOM 21370 C C . LEU A 1 37 ? 6.001 10.838 -1.720 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 14 -ATOM 21371 O O . LEU A 1 37 ? 7.140 10.707 -2.162 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 14 -ATOM 21372 C CB . LEU A 1 37 ? 4.346 10.075 -3.400 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 14 -ATOM 21373 C CG . LEU A 1 37 ? 3.489 8.990 -4.022 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 14 -ATOM 21374 C CD1 . LEU A 1 37 ? 2.954 9.454 -5.363 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 14 -ATOM 21375 C CD2 . LEU A 1 37 ? 4.296 7.719 -4.174 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 14 -ATOM 21376 H H . LEU A 1 37 ? 2.951 9.735 -1.275 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 14 -ATOM 21377 H HA . LEU A 1 37 ? 5.432 8.817 -2.079 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 14 -ATOM 21378 H HB2 . LEU A 1 37 ? 3.737 10.963 -3.304 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 14 -ATOM 21379 H HB3 . LEU A 1 37 ? 5.158 10.292 -4.076 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 14 -ATOM 21380 H HG . LEU A 1 37 ? 2.648 8.785 -3.377 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 14 -ATOM 21381 H HD11 . LEU A 1 37 ? 2.347 8.679 -5.808 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 14 -ATOM 21382 H HD12 . LEU A 1 37 ? 3.787 9.690 -6.009 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 14 -ATOM 21383 H HD13 . LEU A 1 37 ? 2.357 10.341 -5.218 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 14 -ATOM 21384 H HD21 . LEU A 1 37 ? 4.565 7.338 -3.200 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 14 -ATOM 21385 H HD22 . LEU A 1 37 ? 5.199 7.945 -4.722 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 14 -ATOM 21386 H HD23 . LEU A 1 37 ? 3.731 6.977 -4.716 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 14 -ATOM 21387 N N . GLU A 1 38 ? 5.643 11.871 -0.975 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 14 -ATOM 21388 C CA . GLU A 1 38 ? 6.608 12.915 -0.670 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 14 -ATOM 21389 C C . GLU A 1 38 ? 7.261 12.680 0.693 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 14 -ATOM 21390 O O . GLU A 1 38 ? 8.217 13.368 1.065 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 14 -ATOM 21391 C CB . GLU A 1 38 ? 5.986 14.312 -0.757 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 14 -ATOM 21392 C CG . GLU A 1 38 ? 4.890 14.583 0.249 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 14 -ATOM 21393 C CD . GLU A 1 38 ? 4.337 15.971 0.129 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 14 -ATOM 21394 O OE1 . GLU A 1 38 ? 4.922 16.910 0.705 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 14 -ATOM 21395 O OE2 . GLU A 1 38 ? 3.302 16.152 -0.551 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 14 -ATOM 21396 H H . GLU A 1 38 ? 4.729 11.927 -0.622 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 14 -ATOM 21397 H HA . GLU A 1 38 ? 7.387 12.834 -1.413 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 14 -ATOM 21398 H HB2 . GLU A 1 38 ? 6.766 15.043 -0.603 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 14 -ATOM 21399 H HB3 . GLU A 1 38 ? 5.578 14.446 -1.748 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 14 -ATOM 21400 H HG2 . GLU A 1 38 ? 4.091 13.873 0.094 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 14 -ATOM 21401 H HG3 . GLU A 1 38 ? 5.297 14.453 1.242 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 14 -ATOM 21402 N N . SER A 1 39 ? 6.757 11.713 1.426 1.00 0.00 ? ? ? ? ? ? 36 SER A N 14 -ATOM 21403 C CA . SER A 1 39 ? 7.284 11.366 2.733 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 14 -ATOM 21404 C C . SER A 1 39 ? 6.964 9.888 3.067 1.00 0.00 ? ? ? ? ? ? 36 SER A C 14 -ATOM 21405 O O . SER A 1 39 ? 6.200 9.617 3.966 1.00 0.00 ? ? ? ? ? ? 36 SER A O 14 -ATOM 21406 C CB . SER A 1 39 ? 6.695 12.320 3.797 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 14 -ATOM 21407 O OG . SER A 1 39 ? 5.259 12.335 3.738 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 14 -ATOM 21408 H H . SER A 1 39 ? 6.012 11.177 1.074 1.00 0.00 ? ? ? ? ? ? 36 SER A H 14 -ATOM 21409 H HA . SER A 1 39 ? 8.357 11.486 2.710 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 14 -ATOM 21410 H HB2 . SER A 1 39 ? 6.998 11.994 4.781 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 14 -ATOM 21411 H HB3 . SER A 1 39 ? 7.058 13.321 3.623 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 14 -ATOM 21412 H HG . SER A 1 39 ? 4.999 11.408 3.667 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 14 -ATOM 21413 N N . PRO A 1 40 ? 7.502 8.913 2.296 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 14 -ATOM 21414 C CA . PRO A 1 40 ? 7.166 7.489 2.485 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 14 -ATOM 21415 C C . PRO A 1 40 ? 7.913 6.799 3.618 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 14 -ATOM 21416 O O . PRO A 1 40 ? 7.620 5.671 3.953 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 14 -ATOM 21417 C CB . PRO A 1 40 ? 7.524 6.881 1.131 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 14 -ATOM 21418 C CG . PRO A 1 40 ? 8.672 7.699 0.669 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 14 -ATOM 21419 C CD . PRO A 1 40 ? 8.365 9.105 1.102 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 14 -ATOM 21420 H HA . PRO A 1 40 ? 6.112 7.359 2.662 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 14 -ATOM 21421 H HB2 . PRO A 1 40 ? 7.782 5.838 1.232 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 14 -ATOM 21422 H HB3 . PRO A 1 40 ? 6.686 6.982 0.457 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 14 -ATOM 21423 H HG2 . PRO A 1 40 ? 9.583 7.350 1.135 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 14 -ATOM 21424 H HG3 . PRO A 1 40 ? 8.759 7.647 -0.407 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 14 -ATOM 21425 H HD2 . PRO A 1 40 ? 9.258 9.661 1.341 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 14 -ATOM 21426 H HD3 . PRO A 1 40 ? 7.788 9.599 0.330 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 14 -ATOM 21427 N N . ARG A 1 41 ? 8.823 7.493 4.230 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 14 -ATOM 21428 C CA . ARG A 1 41 ? 9.640 6.923 5.296 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 14 -ATOM 21429 C C . ARG A 1 41 ? 9.032 7.152 6.688 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 14 -ATOM 21430 O O . ARG A 1 41 ? 9.744 7.340 7.668 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 14 -ATOM 21431 C CB . ARG A 1 41 ? 11.100 7.428 5.167 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 14 -ATOM 21432 C CG . ARG A 1 41 ? 11.277 8.933 4.892 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 14 -ATOM 21433 C CD . ARG A 1 41 ? 10.968 9.819 6.091 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 14 -ATOM 21434 N NE . ARG A 1 41 ? 11.892 9.578 7.206 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 14 -ATOM 21435 C CZ . ARG A 1 41 ? 11.670 9.943 8.478 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 14 -ATOM 21436 N NH1 . ARG A 1 41 ? 10.563 10.622 8.802 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 14 -ATOM 21437 N NH2 . ARG A 1 41 ? 12.566 9.653 9.413 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 14 -ATOM 21438 H H . ARG A 1 41 ? 8.926 8.425 3.954 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 14 -ATOM 21439 H HA . ARG A 1 41 ? 9.638 5.855 5.129 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 14 -ATOM 21440 H HB2 . ARG A 1 41 ? 11.617 7.204 6.089 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 14 -ATOM 21441 H HB3 . ARG A 1 41 ? 11.578 6.879 4.369 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 14 -ATOM 21442 H HG2 . ARG A 1 41 ? 12.301 9.100 4.603 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 14 -ATOM 21443 H HG3 . ARG A 1 41 ? 10.634 9.210 4.069 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 14 -ATOM 21444 H HD2 . ARG A 1 41 ? 11.051 10.852 5.787 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 14 -ATOM 21445 H HD3 . ARG A 1 41 ? 9.960 9.620 6.423 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 14 -ATOM 21446 H HE . ARG A 1 41 ? 12.723 9.110 6.958 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 14 -ATOM 21447 H HH11 . ARG A 1 41 ? 9.880 10.876 8.111 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 14 -ATOM 21448 H HH12 . ARG A 1 41 ? 10.360 10.924 9.739 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 14 -ATOM 21449 H HH21 . ARG A 1 41 ? 13.421 9.170 9.207 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 14 -ATOM 21450 H HH22 . ARG A 1 41 ? 12.432 9.904 10.375 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 14 -ATOM 21451 N N . ILE A 1 42 ? 7.724 7.017 6.775 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 14 -ATOM 21452 C CA . ILE A 1 42 ? 7.003 7.282 8.011 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 14 -ATOM 21453 C C . ILE A 1 42 ? 7.063 6.071 8.947 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 14 -ATOM 21454 O O . ILE A 1 42 ? 6.479 5.019 8.663 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 14 -ATOM 21455 C CB . ILE A 1 42 ? 5.516 7.664 7.732 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 14 -ATOM 21456 C CG1 . ILE A 1 42 ? 5.456 8.938 6.885 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 14 -ATOM 21457 C CG2 . ILE A 1 42 ? 4.735 7.851 9.035 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 14 -ATOM 21458 C CD1 . ILE A 1 42 ? 4.057 9.358 6.475 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 14 -ATOM 21459 H H . ILE A 1 42 ? 7.241 6.699 5.984 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 14 -ATOM 21460 H HA . ILE A 1 42 ? 7.493 8.121 8.482 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 14 -ATOM 21461 H HB . ILE A 1 42 ? 5.058 6.859 7.178 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 14 -ATOM 21462 H HG12 . ILE A 1 42 ? 5.888 9.754 7.444 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 14 -ATOM 21463 H HG13 . ILE A 1 42 ? 6.035 8.786 5.985 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 14 -ATOM 21464 H HG21 . ILE A 1 42 ? 5.172 8.651 9.613 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 14 -ATOM 21465 H HG22 . ILE A 1 42 ? 4.770 6.936 9.609 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 14 -ATOM 21466 H HG23 . ILE A 1 42 ? 3.707 8.089 8.808 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 14 -ATOM 21467 H HD11 . ILE A 1 42 ? 3.467 9.573 7.354 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 14 -ATOM 21468 H HD12 . ILE A 1 42 ? 3.595 8.559 5.914 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 14 -ATOM 21469 H HD13 . ILE A 1 42 ? 4.123 10.240 5.854 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 14 -ATOM 21470 N N . GLU A 1 43 ? 7.743 6.252 10.075 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 14 -ATOM 21471 C CA . GLU A 1 43 ? 7.957 5.195 11.080 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 14 -ATOM 21472 C C . GLU A 1 43 ? 6.642 4.642 11.608 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 14 -ATOM 21473 O O . GLU A 1 43 ? 6.517 3.449 11.904 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 14 -ATOM 21474 C CB . GLU A 1 43 ? 8.764 5.735 12.271 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 14 -ATOM 21475 C CG . GLU A 1 43 ? 8.134 6.948 12.938 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 14 -ATOM 21476 C CD . GLU A 1 43 ? 8.560 7.109 14.357 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 14 -ATOM 21477 O OE1 . GLU A 1 43 ? 7.934 6.473 15.241 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 14 -ATOM 21478 O OE2 . GLU A 1 43 ? 9.497 7.873 14.633 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 14 -ATOM 21479 H H . GLU A 1 43 ? 8.124 7.143 10.240 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 14 -ATOM 21480 H HA . GLU A 1 43 ? 8.518 4.397 10.619 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 14 -ATOM 21481 H HB2 . GLU A 1 43 ? 8.847 4.956 13.014 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 14 -ATOM 21482 H HB3 . GLU A 1 43 ? 9.754 6.008 11.937 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 14 -ATOM 21483 H HG2 . GLU A 1 43 ? 8.426 7.834 12.397 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 14 -ATOM 21484 H HG3 . GLU A 1 43 ? 7.060 6.842 12.904 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 14 -ATOM 21485 N N . ALA A 1 44 ? 5.666 5.517 11.678 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 14 -ATOM 21486 C CA . ALA A 1 44 ? 4.368 5.220 12.244 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 14 -ATOM 21487 C C . ALA A 1 44 ? 3.584 4.276 11.372 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 14 -ATOM 21488 O O . ALA A 1 44 ? 2.699 3.570 11.844 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 14 -ATOM 21489 C CB . ALA A 1 44 ? 3.596 6.500 12.449 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 14 -ATOM 21490 H H . ALA A 1 44 ? 5.868 6.407 11.325 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 14 -ATOM 21491 H HA . ALA A 1 44 ? 4.526 4.773 13.213 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 14 -ATOM 21492 H HB1 . ALA A 1 44 ? 4.170 7.159 13.083 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 14 -ATOM 21493 H HB2 . ALA A 1 44 ? 2.649 6.278 12.917 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 14 -ATOM 21494 H HB3 . ALA A 1 44 ? 3.422 6.979 11.497 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 14 -ATOM 21495 N N . ASN A 1 45 ? 3.919 4.248 10.113 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 14 -ATOM 21496 C CA . ASN A 1 45 ? 3.208 3.424 9.173 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 14 -ATOM 21497 C C . ASN A 1 45 ? 3.992 2.179 8.836 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 14 -ATOM 21498 O O . ASN A 1 45 ? 3.463 1.272 8.239 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 14 -ATOM 21499 C CB . ASN A 1 45 ? 2.880 4.195 7.877 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 14 -ATOM 21500 C CG . ASN A 1 45 ? 1.870 5.323 8.060 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 14 -ATOM 21501 O OD1 . ASN A 1 45 ? 0.991 5.267 8.921 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 14 -ATOM 21502 N ND2 . ASN A 1 45 ? 1.983 6.351 7.250 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 14 -ATOM 21503 H H . ASN A 1 45 ? 4.685 4.780 9.807 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 14 -ATOM 21504 H HA . ASN A 1 45 ? 2.277 3.130 9.635 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 14 -ATOM 21505 H HB2 . ASN A 1 45 ? 3.791 4.626 7.488 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 14 -ATOM 21506 H HB3 . ASN A 1 45 ? 2.487 3.499 7.150 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 14 -ATOM 21507 H HD21 . ASN A 1 45 ? 2.700 6.339 6.582 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 14 -ATOM 21508 H HD22 . ASN A 1 45 ? 1.347 7.092 7.344 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 14 -ATOM 21509 N N . LYS A 1 46 ? 5.246 2.129 9.219 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 14 -ATOM 21510 C CA . LYS A 1 46 ? 6.094 1.038 8.866 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 14 -ATOM 21511 C C . LYS A 1 46 ? 5.637 -0.272 9.519 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 14 -ATOM 21512 O O . LYS A 1 46 ? 5.159 -0.278 10.660 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 14 -ATOM 21513 C CB . LYS A 1 46 ? 7.515 1.377 9.241 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 14 -ATOM 21514 C CG . LYS A 1 46 ? 8.485 0.667 8.379 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 14 -ATOM 21515 C CD . LYS A 1 46 ? 9.898 1.124 8.617 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 14 -ATOM 21516 C CE . LYS A 1 46 ? 10.832 0.487 7.603 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 14 -ATOM 21517 N NZ . LYS A 1 46 ? 12.232 0.887 7.796 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 14 -ATOM 21518 H H . LYS A 1 46 ? 5.666 2.833 9.751 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 14 -ATOM 21519 H HA . LYS A 1 46 ? 6.046 0.925 7.794 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 14 -ATOM 21520 H HB2 . LYS A 1 46 ? 7.664 2.442 9.136 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 14 -ATOM 21521 H HB3 . LYS A 1 46 ? 7.691 1.090 10.267 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 14 -ATOM 21522 H HG2 . LYS A 1 46 ? 8.383 -0.391 8.555 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 14 -ATOM 21523 H HG3 . LYS A 1 46 ? 8.178 0.920 7.377 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 14 -ATOM 21524 H HD2 . LYS A 1 46 ? 9.925 2.202 8.528 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 14 -ATOM 21525 H HD3 . LYS A 1 46 ? 10.197 0.840 9.613 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 14 -ATOM 21526 H HE2 . LYS A 1 46 ? 10.758 -0.587 7.693 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 14 -ATOM 21527 H HE3 . LYS A 1 46 ? 10.512 0.783 6.615 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 14 -ATOM 21528 H HZ1 . LYS A 1 46 ? 12.564 0.601 8.738 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 14 -ATOM 21529 H HZ2 . LYS A 1 46 ? 12.343 1.918 7.716 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 14 -ATOM 21530 H HZ3 . LYS A 1 46 ? 12.843 0.437 7.083 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 14 -ATOM 21531 N N . LEU A 1 47 ? 5.758 -1.370 8.782 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 14 -ATOM 21532 C CA . LEU A 1 47 ? 5.333 -2.672 9.276 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 14 -ATOM 21533 C C . LEU A 1 47 ? 6.267 -3.216 10.353 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 14 -ATOM 21534 O O . LEU A 1 47 ? 7.373 -2.698 10.553 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 14 -ATOM 21535 C CB . LEU A 1 47 ? 5.170 -3.697 8.142 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 14 -ATOM 21536 C CG . LEU A 1 47 ? 4.079 -3.410 7.102 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 14 -ATOM 21537 C CD1 . LEU A 1 47 ? 3.962 -4.558 6.129 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 14 -ATOM 21538 C CD2 . LEU A 1 47 ? 2.744 -3.160 7.768 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 14 -ATOM 21539 H H . LEU A 1 47 ? 6.145 -1.299 7.880 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 14 -ATOM 21540 H HA . LEU A 1 47 ? 4.368 -2.527 9.739 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 14 -ATOM 21541 H HB2 . LEU A 1 47 ? 6.113 -3.771 7.620 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 14 -ATOM 21542 H HB3 . LEU A 1 47 ? 4.960 -4.658 8.590 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 14 -ATOM 21543 H HG . LEU A 1 47 ? 4.351 -2.529 6.541 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 14 -ATOM 21544 H HD11 . LEU A 1 47 ? 3.743 -5.467 6.670 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 14 -ATOM 21545 H HD12 . LEU A 1 47 ? 4.888 -4.673 5.585 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 14 -ATOM 21546 H HD13 . LEU A 1 47 ? 3.159 -4.357 5.439 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 14 -ATOM 21547 H HD21 . LEU A 1 47 ? 1.986 -3.030 7.010 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 14 -ATOM 21548 H HD22 . LEU A 1 47 ? 2.823 -2.255 8.350 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 14 -ATOM 21549 H HD23 . LEU A 1 47 ? 2.489 -3.991 8.408 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 14 -ATOM 21550 N N . ARG A 1 48 ? 5.808 -4.277 11.014 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 14 -ATOM 21551 C CA . ARG A 1 48 ? 6.515 -4.925 12.123 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 14 -ATOM 21552 C C . ARG A 1 48 ? 7.897 -5.412 11.687 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 14 -ATOM 21553 O O . ARG A 1 48 ? 8.894 -5.212 12.381 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 14 -ATOM 21554 C CB . ARG A 1 48 ? 5.693 -6.119 12.604 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 14 -ATOM 21555 C CG . ARG A 1 48 ? 6.271 -6.859 13.799 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 14 -ATOM 21556 C CD . ARG A 1 48 ? 5.523 -8.159 14.026 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 14 -ATOM 21557 N NE . ARG A 1 48 ? 5.705 -9.082 12.890 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 14 -ATOM 21558 C CZ . ARG A 1 48 ? 4.722 -9.760 12.265 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 14 -ATOM 21559 N NH1 . ARG A 1 48 ? 3.463 -9.661 12.676 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 14 -ATOM 21560 N NH2 . ARG A 1 48 ? 5.011 -10.552 11.238 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 14 -ATOM 21561 H H . ARG A 1 48 ? 4.936 -4.644 10.742 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 14 -ATOM 21562 H HA . ARG A 1 48 ? 6.613 -4.222 12.937 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 14 -ATOM 21563 H HB2 . ARG A 1 48 ? 4.706 -5.771 12.871 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 14 -ATOM 21564 H HB3 . ARG A 1 48 ? 5.602 -6.818 11.785 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 14 -ATOM 21565 H HG2 . ARG A 1 48 ? 7.311 -7.077 13.607 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 14 -ATOM 21566 H HG3 . ARG A 1 48 ? 6.180 -6.236 14.677 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 14 -ATOM 21567 H HD2 . ARG A 1 48 ? 5.888 -8.629 14.928 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 14 -ATOM 21568 H HD3 . ARG A 1 48 ? 4.472 -7.934 14.129 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 14 -ATOM 21569 H HE . ARG A 1 48 ? 6.640 -9.183 12.602 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 14 -ATOM 21570 H HH11 . ARG A 1 48 ? 3.181 -9.101 13.461 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 14 -ATOM 21571 H HH12 . ARG A 1 48 ? 2.710 -10.134 12.209 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 14 -ATOM 21572 H HH21 . ARG A 1 48 ? 5.944 -10.681 10.887 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 14 -ATOM 21573 H HH22 . ARG A 1 48 ? 4.293 -11.076 10.770 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 14 -ATOM 21574 N N . GLY A 1 49 ? 7.939 -6.056 10.556 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 14 -ATOM 21575 C CA . GLY A 1 49 ? 9.168 -6.565 10.046 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 14 -ATOM 21576 C C . GLY A 1 49 ? 8.999 -7.022 8.640 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 14 -ATOM 21577 O O . GLY A 1 49 ? 8.680 -8.183 8.396 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 14 -ATOM 21578 H H . GLY A 1 49 ? 7.114 -6.190 10.044 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 14 -ATOM 21579 H HA2 . GLY A 1 49 ? 9.911 -5.783 10.087 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 14 -ATOM 21580 H HA3 . GLY A 1 49 ? 9.490 -7.399 10.652 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 14 -ATOM 21581 N N . MET A 1 50 ? 9.157 -6.102 7.725 1.00 0.00 ? ? ? ? ? ? 47 MET A N 14 -ATOM 21582 C CA . MET A 1 50 ? 9.012 -6.340 6.301 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 14 -ATOM 21583 C C . MET A 1 50 ? 9.952 -5.397 5.581 1.00 0.00 ? ? ? ? ? ? 47 MET A C 14 -ATOM 21584 O O . MET A 1 50 ? 10.157 -4.284 6.074 1.00 0.00 ? ? ? ? ? ? 47 MET A O 14 -ATOM 21585 C CB . MET A 1 50 ? 7.573 -6.060 5.846 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 14 -ATOM 21586 C CG . MET A 1 50 ? 6.528 -7.064 6.312 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 14 -ATOM 21587 S SD . MET A 1 50 ? 6.783 -8.716 5.636 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 14 -ATOM 21588 C CE . MET A 1 50 ? 6.656 -8.377 3.883 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 14 -ATOM 21589 H H . MET A 1 50 ? 9.430 -5.195 7.989 1.00 0.00 ? ? ? ? ? ? 47 MET A H 14 -ATOM 21590 H HA . MET A 1 50 ? 9.270 -7.368 6.099 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 14 -ATOM 21591 H HB2 . MET A 1 50 ? 7.293 -5.092 6.235 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 14 -ATOM 21592 H HB3 . MET A 1 50 ? 7.555 -6.014 4.767 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 14 -ATOM 21593 H HG2 . MET A 1 50 ? 6.568 -7.123 7.390 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 14 -ATOM 21594 H HG3 . MET A 1 50 ? 5.553 -6.714 6.012 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 14 -ATOM 21595 H HE1 . MET A 1 50 ? 7.447 -7.707 3.582 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 14 -ATOM 21596 H HE2 . MET A 1 50 ? 5.704 -7.906 3.683 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 14 -ATOM 21597 H HE3 . MET A 1 50 ? 6.728 -9.297 3.326 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 14 -ATOM 21598 N N . PRO A 1 51 ? 10.544 -5.809 4.426 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 14 -ATOM 21599 C CA . PRO A 1 51 ? 11.510 -4.981 3.662 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 14 -ATOM 21600 C C . PRO A 1 51 ? 10.952 -3.619 3.218 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 14 -ATOM 21601 O O . PRO A 1 51 ? 10.331 -3.502 2.139 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 14 -ATOM 21602 C CB . PRO A 1 51 ? 11.855 -5.846 2.442 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 14 -ATOM 21603 C CG . PRO A 1 51 ? 11.544 -7.235 2.873 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 14 -ATOM 21604 C CD . PRO A 1 51 ? 10.348 -7.122 3.773 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 14 -ATOM 21605 H HA . PRO A 1 51 ? 12.401 -4.807 4.241 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 14 -ATOM 21606 H HB2 . PRO A 1 51 ? 11.249 -5.541 1.602 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 14 -ATOM 21607 H HB3 . PRO A 1 51 ? 12.901 -5.736 2.195 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 14 -ATOM 21608 H HG2 . PRO A 1 51 ? 11.317 -7.846 2.011 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 14 -ATOM 21609 H HG3 . PRO A 1 51 ? 12.382 -7.647 3.416 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 14 -ATOM 21610 H HD2 . PRO A 1 51 ? 9.441 -7.133 3.186 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 14 -ATOM 21611 H HD3 . PRO A 1 51 ? 10.348 -7.924 4.497 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 14 -ATOM 21612 N N . ASP A 1 52 ? 11.126 -2.619 4.093 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 14 -ATOM 21613 C CA . ASP A 1 52 ? 10.666 -1.230 3.892 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 14 -ATOM 21614 C C . ASP A 1 52 ? 9.225 -1.168 3.440 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 14 -ATOM 21615 O O . ASP A 1 52 ? 8.864 -0.432 2.515 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 14 -ATOM 21616 C CB . ASP A 1 52 ? 11.592 -0.407 2.974 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 14 -ATOM 21617 C CG . ASP A 1 52 ? 12.935 -0.090 3.612 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 14 -ATOM 21618 O OD1 . ASP A 1 52 ? 13.007 0.049 4.873 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 14 -ATOM 21619 O OD2 . ASP A 1 52 ? 13.938 0.068 2.874 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 14 -ATOM 21620 H H . ASP A 1 52 ? 11.578 -2.844 4.938 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 14 -ATOM 21621 H HA . ASP A 1 52 ? 10.678 -0.781 4.875 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 14 -ATOM 21622 H HB2 . ASP A 1 52 ? 11.772 -0.967 2.068 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 14 -ATOM 21623 H HB3 . ASP A 1 52 ? 11.099 0.520 2.721 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 14 -ATOM 21624 N N . CYS A 1 53 ? 8.401 -1.949 4.091 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 14 -ATOM 21625 C CA . CYS A 1 53 ? 7.000 -1.981 3.786 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 14 -ATOM 21626 C C . CYS A 1 53 ? 6.240 -1.175 4.824 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 14 -ATOM 21627 O O . CYS A 1 53 ? 6.591 -1.188 6.021 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 14 -ATOM 21628 C CB . CYS A 1 53 ? 6.502 -3.418 3.744 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 14 -ATOM 21629 S SG . CYS A 1 53 ? 7.418 -4.494 2.610 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 14 -ATOM 21630 H H . CYS A 1 53 ? 8.752 -2.514 4.810 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 14 -ATOM 21631 H HA . CYS A 1 53 ? 6.852 -1.523 2.823 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 14 -ATOM 21632 H HB2 . CYS A 1 53 ? 6.593 -3.836 4.734 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 14 -ATOM 21633 H HB3 . CYS A 1 53 ? 5.464 -3.425 3.448 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 14 -ATOM 21634 H HG . CYS A 1 53 ? 8.565 -3.885 2.325 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 14 -ATOM 21635 N N . TYR A 1 54 ? 5.230 -0.478 4.383 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 14 -ATOM 21636 C CA . TYR A 1 54 ? 4.462 0.391 5.238 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 14 -ATOM 21637 C C . TYR A 1 54 ? 2.979 0.096 5.044 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 14 -ATOM 21638 O O . TYR A 1 54 ? 2.581 -0.507 4.031 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 14 -ATOM 21639 C CB . TYR A 1 54 ? 4.756 1.883 4.933 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 14 -ATOM 21640 C CG . TYR A 1 54 ? 6.223 2.314 5.050 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 14 -ATOM 21641 C CD1 . TYR A 1 54 ? 7.150 1.959 4.084 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 14 -ATOM 21642 C CD2 . TYR A 1 54 ? 6.666 3.084 6.111 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 14 -ATOM 21643 C CE1 . TYR A 1 54 ? 8.471 2.346 4.170 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 14 -ATOM 21644 C CE2 . TYR A 1 54 ? 7.995 3.479 6.204 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 14 -ATOM 21645 C CZ . TYR A 1 54 ? 8.889 3.102 5.226 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 14 -ATOM 21646 O OH . TYR A 1 54 ? 10.213 3.492 5.306 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 14 -ATOM 21647 H H . TYR A 1 54 ? 4.958 -0.569 3.441 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 14 -ATOM 21648 H HA . TYR A 1 54 ? 4.730 0.177 6.262 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 14 -ATOM 21649 H HB2 . TYR A 1 54 ? 4.436 2.098 3.925 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 14 -ATOM 21650 H HB3 . TYR A 1 54 ? 4.177 2.490 5.614 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 14 -ATOM 21651 H HD1 . TYR A 1 54 ? 6.824 1.356 3.249 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 14 -ATOM 21652 H HD2 . TYR A 1 54 ? 5.964 3.378 6.878 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 14 -ATOM 21653 H HE1 . TYR A 1 54 ? 9.170 2.052 3.401 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 14 -ATOM 21654 H HE2 . TYR A 1 54 ? 8.323 4.077 7.041 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 14 -ATOM 21655 H HH . TYR A 1 54 ? 10.513 3.752 4.423 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 14 -ATOM 21656 N N . LYS A 1 55 ? 2.193 0.517 5.992 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 14 -ATOM 21657 C CA . LYS A 1 55 ? 0.778 0.277 6.027 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 14 -ATOM 21658 C C . LYS A 1 55 ? 0.042 1.609 5.935 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 14 -ATOM 21659 O O . LYS A 1 55 ? 0.616 2.669 6.192 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 14 -ATOM 21660 C CB . LYS A 1 55 ? 0.400 -0.379 7.389 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 14 -ATOM 21661 C CG . LYS A 1 55 ? 0.395 0.621 8.571 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 14 -ATOM 21662 C CD . LYS A 1 55 ? 0.224 -0.021 9.943 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 14 -ATOM 21663 C CE . LYS A 1 55 ? 1.479 -0.752 10.388 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 14 -ATOM 21664 N NZ . LYS A 1 55 ? 1.379 -1.206 11.785 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 14 -ATOM 21665 H H . LYS A 1 55 ? 2.581 1.033 6.731 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 14 -ATOM 21666 H HA . LYS A 1 55 ? 0.487 -0.390 5.230 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 14 -ATOM 21667 H HB2 . LYS A 1 55 ? -0.584 -0.815 7.303 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 14 -ATOM 21668 H HB3 . LYS A 1 55 ? 1.114 -1.157 7.610 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 14 -ATOM 21669 H HG2 . LYS A 1 55 ? 1.333 1.156 8.568 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 14 -ATOM 21670 H HG3 . LYS A 1 55 ? -0.405 1.330 8.410 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 14 -ATOM 21671 H HD2 . LYS A 1 55 ? -0.006 0.745 10.666 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 14 -ATOM 21672 H HD3 . LYS A 1 55 ? -0.596 -0.725 9.898 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 14 -ATOM 21673 H HE2 . LYS A 1 55 ? 1.603 -1.623 9.764 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 14 -ATOM 21674 H HE3 . LYS A 1 55 ? 2.332 -0.097 10.283 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 14 -ATOM 21675 H HZ1 . LYS A 1 55 ? 0.570 -1.848 11.908 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 14 -ATOM 21676 H HZ2 . LYS A 1 55 ? 1.263 -0.396 12.427 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 14 -ATOM 21677 H HZ3 . LYS A 1 55 ? 2.241 -1.711 12.065 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 14 -ATOM 21678 N N . ILE A 1 56 ? -1.182 1.546 5.536 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 14 -ATOM 21679 C CA . ILE A 1 56 ? -2.084 2.658 5.628 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 14 -ATOM 21680 C C . ILE A 1 56 ? -3.326 2.137 6.292 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 14 -ATOM 21681 O O . ILE A 1 56 ? -3.801 1.048 5.949 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 14 -ATOM 21682 C CB . ILE A 1 56 ? -2.475 3.272 4.250 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 14 -ATOM 21683 C CG1 . ILE A 1 56 ? -1.239 3.757 3.504 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 14 -ATOM 21684 C CG2 . ILE A 1 56 ? -3.468 4.436 4.440 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 14 -ATOM 21685 C CD1 . ILE A 1 56 ? -1.534 4.306 2.129 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 14 -ATOM 21686 H H . ILE A 1 56 ? -1.494 0.704 5.137 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 14 -ATOM 21687 H HA . ILE A 1 56 ? -1.631 3.411 6.257 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 14 -ATOM 21688 H HB . ILE A 1 56 ? -2.969 2.509 3.670 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 14 -ATOM 21689 H HG12 . ILE A 1 56 ? -0.755 4.531 4.082 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 14 -ATOM 21690 H HG13 . ILE A 1 56 ? -0.567 2.918 3.398 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 14 -ATOM 21691 H HG21 . ILE A 1 56 ? -3.735 4.843 3.475 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 14 -ATOM 21692 H HG22 . ILE A 1 56 ? -3.017 5.216 5.036 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 14 -ATOM 21693 H HG23 . ILE A 1 56 ? -4.357 4.075 4.935 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 14 -ATOM 21694 H HD11 . ILE A 1 56 ? -1.933 3.521 1.506 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 14 -ATOM 21695 H HD12 . ILE A 1 56 ? -0.633 4.706 1.687 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 14 -ATOM 21696 H HD13 . ILE A 1 56 ? -2.267 5.093 2.215 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 14 -ATOM 21697 N N . LYS A 1 57 ? -3.817 2.858 7.244 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 14 -ATOM 21698 C CA . LYS A 1 57 ? -5.022 2.496 7.910 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 14 -ATOM 21699 C C . LYS A 1 57 ? -6.029 3.576 7.637 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 14 -ATOM 21700 O O . LYS A 1 57 ? -5.755 4.759 7.862 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 14 -ATOM 21701 C CB . LYS A 1 57 ? -4.843 2.208 9.433 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 14 -ATOM 21702 C CG . LYS A 1 57 ? -4.337 3.355 10.301 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 14 -ATOM 21703 C CD . LYS A 1 57 ? -2.857 3.659 10.107 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 14 -ATOM 21704 C CE . LYS A 1 57 ? -2.495 4.876 10.896 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 14 -ATOM 21705 N NZ . LYS A 1 57 ? -1.077 5.275 10.739 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 14 -ATOM 21706 H H . LYS A 1 57 ? -3.390 3.708 7.467 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 14 -ATOM 21707 H HA . LYS A 1 57 ? -5.362 1.604 7.415 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 14 -ATOM 21708 H HB2 . LYS A 1 57 ? -5.803 1.911 9.830 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 14 -ATOM 21709 H HB3 . LYS A 1 57 ? -4.162 1.377 9.539 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 14 -ATOM 21710 H HG2 . LYS A 1 57 ? -4.902 4.243 10.060 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 14 -ATOM 21711 H HG3 . LYS A 1 57 ? -4.512 3.099 11.336 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 14 -ATOM 21712 H HD2 . LYS A 1 57 ? -2.275 2.823 10.465 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 14 -ATOM 21713 H HD3 . LYS A 1 57 ? -2.630 3.836 9.069 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 14 -ATOM 21714 H HE2 . LYS A 1 57 ? -3.145 5.652 10.522 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 14 -ATOM 21715 H HE3 . LYS A 1 57 ? -2.723 4.671 11.932 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 14 -ATOM 21716 H HZ1 . LYS A 1 57 ? -0.450 4.491 11.006 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 14 -ATOM 21717 H HZ2 . LYS A 1 57 ? -0.843 6.059 11.382 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 14 -ATOM 21718 H HZ3 . LYS A 1 57 ? -0.848 5.562 9.765 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 14 -ATOM 21719 N N . LEU A 1 58 ? -7.144 3.197 7.085 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 14 -ATOM 21720 C CA . LEU A 1 58 ? -8.135 4.151 6.679 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 14 -ATOM 21721 C C . LEU A 1 58 ? -8.858 4.724 7.885 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 14 -ATOM 21722 O O . LEU A 1 58 ? -9.211 4.001 8.817 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 14 -ATOM 21723 C CB . LEU A 1 58 ? -9.118 3.523 5.696 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 14 -ATOM 21724 C CG . LEU A 1 58 ? -9.961 4.492 4.875 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 14 -ATOM 21725 C CD1 . LEU A 1 58 ? -9.067 5.332 4.016 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 14 -ATOM 21726 C CD2 . LEU A 1 58 ? -10.944 3.732 4.022 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 14 -ATOM 21727 H H . LEU A 1 58 ? -7.314 2.241 6.932 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 14 -ATOM 21728 H HA . LEU A 1 58 ? -7.612 4.953 6.180 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 14 -ATOM 21729 H HB2 . LEU A 1 58 ? -8.557 2.903 5.012 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 14 -ATOM 21730 H HB3 . LEU A 1 58 ? -9.787 2.888 6.258 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 14 -ATOM 21731 H HG . LEU A 1 58 ? -10.509 5.195 5.482 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 14 -ATOM 21732 H HD11 . LEU A 1 58 ? -8.493 4.701 3.356 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 14 -ATOM 21733 H HD12 . LEU A 1 58 ? -8.411 5.928 4.630 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 14 -ATOM 21734 H HD13 . LEU A 1 58 ? -9.691 5.985 3.430 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 14 -ATOM 21735 H HD21 . LEU A 1 58 ? -11.550 4.427 3.458 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 14 -ATOM 21736 H HD22 . LEU A 1 58 ? -11.571 3.119 4.650 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 14 -ATOM 21737 H HD23 . LEU A 1 58 ? -10.391 3.107 3.338 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 14 -ATOM 21738 N N . ARG A 1 59 ? -9.044 6.021 7.862 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 14 -ATOM 21739 C CA . ARG A 1 59 ? -9.679 6.750 8.943 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 14 -ATOM 21740 C C . ARG A 1 59 ? -11.168 6.400 9.091 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 14 -ATOM 21741 O O . ARG A 1 59 ? -11.670 6.268 10.203 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 14 -ATOM 21742 C CB . ARG A 1 59 ? -9.509 8.261 8.711 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 14 -ATOM 21743 C CG . ARG A 1 59 ? -10.166 9.151 9.761 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 14 -ATOM 21744 C CD . ARG A 1 59 ? -9.572 8.936 11.137 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 14 -ATOM 21745 N NE . ARG A 1 59 ? -10.201 9.798 12.142 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 14 -ATOM 21746 C CZ . ARG A 1 59 ? -9.765 9.954 13.393 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 14 -ATOM 21747 N NH1 . ARG A 1 59 ? -8.713 9.281 13.816 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 14 -ATOM 21748 N NH2 . ARG A 1 59 ? -10.401 10.767 14.225 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 14 -ATOM 21749 H H . ARG A 1 59 ? -8.707 6.526 7.091 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 14 -ATOM 21750 H HA . ARG A 1 59 ? -9.165 6.493 9.857 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 14 -ATOM 21751 H HB2 . ARG A 1 59 ? -8.454 8.489 8.695 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 14 -ATOM 21752 H HB3 . ARG A 1 59 ? -9.928 8.506 7.746 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 14 -ATOM 21753 H HG2 . ARG A 1 59 ? -10.026 10.184 9.485 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 14 -ATOM 21754 H HG3 . ARG A 1 59 ? -11.223 8.929 9.795 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 14 -ATOM 21755 H HD2 . ARG A 1 59 ? -9.719 7.905 11.424 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 14 -ATOM 21756 H HD3 . ARG A 1 59 ? -8.515 9.154 11.101 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 14 -ATOM 21757 H HE . ARG A 1 59 ? -11.001 10.284 11.835 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 14 -ATOM 21758 H HH11 . ARG A 1 59 ? -8.220 8.637 13.224 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 14 -ATOM 21759 H HH12 . ARG A 1 59 ? -8.352 9.401 14.743 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 14 -ATOM 21760 H HH21 . ARG A 1 59 ? -11.218 11.280 13.947 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 14 -ATOM 21761 H HH22 . ARG A 1 59 ? -10.108 10.899 15.177 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 14 -ATOM 21762 N N . SER A 1 60 ? -11.849 6.253 7.989 1.00 0.00 ? ? ? ? ? ? 57 SER A N 14 -ATOM 21763 C CA . SER A 1 60 ? -13.268 6.020 8.005 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 14 -ATOM 21764 C C . SER A 1 60 ? -13.626 4.538 8.200 1.00 0.00 ? ? ? ? ? ? 57 SER A C 14 -ATOM 21765 O O . SER A 1 60 ? -14.255 4.159 9.196 1.00 0.00 ? ? ? ? ? ? 57 SER A O 14 -ATOM 21766 C CB . SER A 1 60 ? -13.841 6.566 6.713 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 14 -ATOM 21767 O OG . SER A 1 60 ? -13.029 6.148 5.619 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 14 -ATOM 21768 H H . SER A 1 60 ? -11.410 6.297 7.115 1.00 0.00 ? ? ? ? ? ? 57 SER A H 14 -ATOM 21769 H HA . SER A 1 60 ? -13.685 6.594 8.819 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 14 -ATOM 21770 H HB2 . SER A 1 60 ? -14.846 6.193 6.573 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 14 -ATOM 21771 H HB3 . SER A 1 60 ? -13.851 7.645 6.745 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 14 -ATOM 21772 H HG . SER A 1 60 ? -12.828 6.941 5.095 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 14 -ATOM 21773 N N . SER A 1 61 ? -13.241 3.717 7.255 1.00 0.00 ? ? ? ? ? ? 58 SER A N 14 -ATOM 21774 C CA . SER A 1 61 ? -13.543 2.309 7.305 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 14 -ATOM 21775 C C . SER A 1 61 ? -12.296 1.522 7.682 1.00 0.00 ? ? ? ? ? ? 58 SER A C 14 -ATOM 21776 O O . SER A 1 61 ? -11.181 2.024 7.531 1.00 0.00 ? ? ? ? ? ? 58 SER A O 14 -ATOM 21777 C CB . SER A 1 61 ? -14.071 1.871 5.948 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 14 -ATOM 21778 O OG . SER A 1 61 ? -15.154 2.703 5.554 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 14 -ATOM 21779 H H . SER A 1 61 ? -12.722 4.075 6.503 1.00 0.00 ? ? ? ? ? ? 58 SER A H 14 -ATOM 21780 H HA . SER A 1 61 ? -14.307 2.148 8.049 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 14 -ATOM 21781 H HB2 . SER A 1 61 ? -13.287 1.944 5.210 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 14 -ATOM 21782 H HB3 . SER A 1 61 ? -14.422 0.851 6.007 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 14 -ATOM 21783 H HG . SER A 1 61 ? -14.974 3.594 5.875 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 14 -ATOM 21784 N N . GLY A 1 62 ? -12.480 0.299 8.146 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 14 -ATOM 21785 C CA . GLY A 1 62 ? -11.371 -0.528 8.561 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 14 -ATOM 21786 C C . GLY A 1 62 ? -10.659 -1.172 7.391 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 14 -ATOM 21787 O O . GLY A 1 62 ? -10.676 -2.387 7.229 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 14 -ATOM 21788 H H . GLY A 1 62 ? -13.384 -0.075 8.209 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 14 -ATOM 21789 H HA2 . GLY A 1 62 ? -10.665 0.080 9.109 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 14 -ATOM 21790 H HA3 . GLY A 1 62 ? -11.742 -1.305 9.214 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 14 -ATOM 21791 N N . TYR A 1 63 ? -10.061 -0.362 6.576 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 14 -ATOM 21792 C CA . TYR A 1 63 ? -9.310 -0.828 5.447 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 14 -ATOM 21793 C C . TYR A 1 63 ? -7.856 -0.509 5.618 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 14 -ATOM 21794 O O . TYR A 1 63 ? -7.494 0.562 6.125 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 14 -ATOM 21795 C CB . TYR A 1 63 ? -9.853 -0.280 4.131 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 14 -ATOM 21796 C CG . TYR A 1 63 ? -11.017 -1.077 3.596 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 14 -ATOM 21797 C CD1 . TYR A 1 63 ? -12.311 -0.899 4.073 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 14 -ATOM 21798 C CD2 . TYR A 1 63 ? -10.810 -2.025 2.612 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 14 -ATOM 21799 C CE1 . TYR A 1 63 ? -13.358 -1.653 3.576 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 14 -ATOM 21800 C CE2 . TYR A 1 63 ? -11.843 -2.773 2.110 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 14 -ATOM 21801 C CZ . TYR A 1 63 ? -13.111 -2.590 2.591 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 14 -ATOM 21802 O OH . TYR A 1 63 ? -14.133 -3.359 2.097 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 14 -ATOM 21803 H H . TYR A 1 63 ? -10.114 0.601 6.766 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 14 -ATOM 21804 H HA . TYR A 1 63 ? -9.421 -1.905 5.441 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 14 -ATOM 21805 H HB2 . TYR A 1 63 ? -10.186 0.737 4.282 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 14 -ATOM 21806 H HB3 . TYR A 1 63 ? -9.068 -0.292 3.390 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 14 -ATOM 21807 H HD1 . TYR A 1 63 ? -12.492 -0.164 4.843 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 14 -ATOM 21808 H HD2 . TYR A 1 63 ? -9.809 -2.173 2.232 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 14 -ATOM 21809 H HE1 . TYR A 1 63 ? -14.359 -1.504 3.954 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 14 -ATOM 21810 H HE2 . TYR A 1 63 ? -11.654 -3.507 1.341 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 14 -ATOM 21811 H HH . TYR A 1 63 ? -14.865 -2.761 1.901 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 14 -ATOM 21812 N N . ARG A 1 64 ? -7.035 -1.443 5.238 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 14 -ATOM 21813 C CA . ARG A 1 64 ? -5.623 -1.349 5.386 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 14 -ATOM 21814 C C . ARG A 1 64 ? -4.948 -1.632 4.061 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 14 -ATOM 21815 O O . ARG A 1 64 ? -5.352 -2.531 3.319 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 14 -ATOM 21816 C CB . ARG A 1 64 ? -5.179 -2.334 6.460 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 14 -ATOM 21817 C CG . ARG A 1 64 ? -5.756 -2.000 7.824 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 14 -ATOM 21818 C CD . ARG A 1 64 ? -5.569 -3.118 8.810 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 14 -ATOM 21819 N NE . ARG A 1 64 ? -6.029 -2.722 10.150 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 14 -ATOM 21820 C CZ . ARG A 1 64 ? -6.269 -3.541 11.184 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 14 -ATOM 21821 N NH1 . ARG A 1 64 ? -6.212 -4.866 11.044 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 14 -ATOM 21822 N NH2 . ARG A 1 64 ? -6.616 -3.023 12.349 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 14 -ATOM 21823 H H . ARG A 1 64 ? -7.377 -2.263 4.817 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 14 -ATOM 21824 H HA . ARG A 1 64 ? -5.376 -0.350 5.710 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 14 -ATOM 21825 H HB2 . ARG A 1 64 ? -5.501 -3.326 6.179 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 14 -ATOM 21826 H HB3 . ARG A 1 64 ? -4.102 -2.318 6.532 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 14 -ATOM 21827 H HG2 . ARG A 1 64 ? -5.267 -1.117 8.206 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 14 -ATOM 21828 H HG3 . ARG A 1 64 ? -6.812 -1.799 7.710 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 14 -ATOM 21829 H HD2 . ARG A 1 64 ? -6.140 -3.967 8.460 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 14 -ATOM 21830 H HD3 . ARG A 1 64 ? -4.522 -3.371 8.834 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 14 -ATOM 21831 H HE . ARG A 1 64 ? -6.151 -1.751 10.280 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 14 -ATOM 21832 H HH11 . ARG A 1 64 ? -6.004 -5.317 10.166 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 14 -ATOM 21833 H HH12 . ARG A 1 64 ? -6.373 -5.486 11.816 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 14 -ATOM 21834 H HH21 . ARG A 1 64 ? -6.702 -2.031 12.469 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 14 -ATOM 21835 H HH22 . ARG A 1 64 ? -6.823 -3.598 13.145 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 14 -ATOM 21836 N N . LEU A 1 65 ? -3.959 -0.862 3.758 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 14 -ATOM 21837 C CA . LEU A 1 65 ? -3.230 -0.991 2.521 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 14 -ATOM 21838 C C . LEU A 1 65 ? -1.767 -1.225 2.866 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 14 -ATOM 21839 O O . LEU A 1 65 ? -1.252 -0.598 3.787 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 14 -ATOM 21840 C CB . LEU A 1 65 ? -3.453 0.301 1.678 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 14 -ATOM 21841 C CG . LEU A 1 65 ? -2.913 0.352 0.227 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 14 -ATOM 21842 C CD1 . LEU A 1 65 ? -3.566 1.492 -0.525 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 14 -ATOM 21843 C CD2 . LEU A 1 65 ? -1.423 0.566 0.207 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 14 -ATOM 21844 H H . LEU A 1 65 ? -3.686 -0.172 4.401 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 14 -ATOM 21845 H HA . LEU A 1 65 ? -3.612 -1.844 1.986 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 14 -ATOM 21846 H HB2 . LEU A 1 65 ? -4.514 0.495 1.638 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 14 -ATOM 21847 H HB3 . LEU A 1 65 ? -2.998 1.115 2.224 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 14 -ATOM 21848 H HG . LEU A 1 65 ? -3.140 -0.574 -0.280 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 14 -ATOM 21849 H HD11 . LEU A 1 65 ? -3.364 2.421 -0.014 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 14 -ATOM 21850 H HD12 . LEU A 1 65 ? -4.632 1.329 -0.583 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 14 -ATOM 21851 H HD13 . LEU A 1 65 ? -3.152 1.534 -1.522 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 14 -ATOM 21852 H HD21 . LEU A 1 65 ? -0.931 -0.259 0.702 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 14 -ATOM 21853 H HD22 . LEU A 1 65 ? -1.212 1.483 0.737 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 14 -ATOM 21854 H HD23 . LEU A 1 65 ? -1.080 0.646 -0.813 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 14 -ATOM 21855 N N . VAL A 1 66 ? -1.125 -2.153 2.177 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 14 -ATOM 21856 C CA . VAL A 1 66 ? 0.272 -2.474 2.422 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 14 -ATOM 21857 C C . VAL A 1 66 ? 1.091 -2.346 1.141 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 14 -ATOM 21858 O O . VAL A 1 66 ? 0.745 -2.923 0.092 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 14 -ATOM 21859 C CB . VAL A 1 66 ? 0.443 -3.896 3.036 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 14 -ATOM 21860 C CG1 . VAL A 1 66 ? 1.913 -4.287 3.128 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 14 -ATOM 21861 C CG2 . VAL A 1 66 ? -0.187 -3.946 4.415 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 14 -ATOM 21862 H H . VAL A 1 66 ? -1.580 -2.645 1.455 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 14 -ATOM 21863 H HA . VAL A 1 66 ? 0.645 -1.747 3.128 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 14 -ATOM 21864 H HB . VAL A 1 66 ? -0.067 -4.609 2.405 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 14 -ATOM 21865 H HG11 . VAL A 1 66 ? 2.443 -3.546 3.707 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 14 -ATOM 21866 H HG12 . VAL A 1 66 ? 2.337 -4.333 2.136 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 14 -ATOM 21867 H HG13 . VAL A 1 66 ? 2.002 -5.251 3.607 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 14 -ATOM 21868 H HG21 . VAL A 1 66 ? 0.276 -3.204 5.049 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 14 -ATOM 21869 H HG22 . VAL A 1 66 ? -0.031 -4.926 4.842 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 14 -ATOM 21870 H HG23 . VAL A 1 66 ? -1.245 -3.746 4.337 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 14 -ATOM 21871 N N . TYR A 1 67 ? 2.160 -1.605 1.226 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 14 -ATOM 21872 C CA . TYR A 1 67 ? 3.024 -1.375 0.101 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 14 -ATOM 21873 C C . TYR A 1 67 ? 4.464 -1.461 0.527 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 14 -ATOM 21874 O O . TYR A 1 67 ? 4.773 -1.305 1.712 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 14 -ATOM 21875 C CB . TYR A 1 67 ? 2.743 0.008 -0.531 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 14 -ATOM 21876 C CG . TYR A 1 67 ? 2.825 1.177 0.429 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 14 -ATOM 21877 C CD1 . TYR A 1 67 ? 4.039 1.667 0.895 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 14 -ATOM 21878 C CD2 . TYR A 1 67 ? 1.681 1.783 0.862 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 14 -ATOM 21879 C CE1 . TYR A 1 67 ? 4.083 2.721 1.768 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 14 -ATOM 21880 C CE2 . TYR A 1 67 ? 1.717 2.834 1.723 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 14 -ATOM 21881 C CZ . TYR A 1 67 ? 2.913 3.301 2.181 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 14 -ATOM 21882 O OH . TYR A 1 67 ? 2.937 4.332 3.073 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 14 -ATOM 21883 H H . TYR A 1 67 ? 2.401 -1.204 2.092 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 14 -ATOM 21884 H HA . TYR A 1 67 ? 2.825 -2.136 -0.640 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 14 -ATOM 21885 H HB2 . TYR A 1 67 ? 3.437 0.196 -1.336 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 14 -ATOM 21886 H HB3 . TYR A 1 67 ? 1.743 -0.001 -0.938 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 14 -ATOM 21887 H HD1 . TYR A 1 67 ? 4.954 1.200 0.564 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 14 -ATOM 21888 H HD2 . TYR A 1 67 ? 0.736 1.414 0.499 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 14 -ATOM 21889 H HE1 . TYR A 1 67 ? 5.035 3.093 2.118 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 14 -ATOM 21890 H HE2 . TYR A 1 67 ? 0.790 3.288 2.032 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 14 -ATOM 21891 H HH . TYR A 1 67 ? 2.269 4.159 3.742 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 14 -ATOM 21892 N N . GLN A 1 68 ? 5.325 -1.708 -0.409 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 14 -ATOM 21893 C CA . GLN A 1 68 ? 6.728 -1.674 -0.154 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 14 -ATOM 21894 C C . GLN A 1 68 ? 7.291 -0.459 -0.825 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 14 -ATOM 21895 O O . GLN A 1 68 ? 6.935 -0.143 -1.969 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 14 -ATOM 21896 C CB . GLN A 1 68 ? 7.464 -2.939 -0.630 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 14 -ATOM 21897 C CG . GLN A 1 68 ? 7.325 -3.254 -2.118 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 14 -ATOM 21898 C CD . GLN A 1 68 ? 8.185 -4.427 -2.568 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 14 -ATOM 21899 O OE1 . GLN A 1 68 ? 7.816 -5.163 -3.478 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 14 -ATOM 21900 N NE2 . GLN A 1 68 ? 9.355 -4.582 -1.982 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 14 -ATOM 21901 H H . GLN A 1 68 ? 5.009 -1.891 -1.323 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 14 -ATOM 21902 H HA . GLN A 1 68 ? 6.862 -1.559 0.910 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 14 -ATOM 21903 H HB2 . GLN A 1 68 ? 8.513 -2.812 -0.413 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 14 -ATOM 21904 H HB3 . GLN A 1 68 ? 7.098 -3.783 -0.064 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 14 -ATOM 21905 H HG2 . GLN A 1 68 ? 6.292 -3.485 -2.330 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 14 -ATOM 21906 H HG3 . GLN A 1 68 ? 7.616 -2.376 -2.677 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 14 -ATOM 21907 H HE21 . GLN A 1 68 ? 9.638 -3.945 -1.291 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 14 -ATOM 21908 H HE22 . GLN A 1 68 ? 9.909 -5.333 -2.270 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 14 -ATOM 21909 N N . VAL A 1 69 ? 8.096 0.259 -0.134 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 14 -ATOM 21910 C CA . VAL A 1 69 ? 8.731 1.372 -0.732 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 14 -ATOM 21911 C C . VAL A 1 69 ? 10.023 0.891 -1.298 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 14 -ATOM 21912 O O . VAL A 1 69 ? 10.919 0.469 -0.566 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 14 -ATOM 21913 C CB . VAL A 1 69 ? 8.966 2.535 0.261 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 14 -ATOM 21914 C CG1 . VAL A 1 69 ? 9.696 3.686 -0.416 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 14 -ATOM 21915 C CG2 . VAL A 1 69 ? 7.644 3.019 0.817 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 14 -ATOM 21916 H H . VAL A 1 69 ? 8.300 0.031 0.803 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 14 -ATOM 21917 H HA . VAL A 1 69 ? 8.108 1.712 -1.545 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 14 -ATOM 21918 H HB . VAL A 1 69 ? 9.569 2.172 1.080 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 14 -ATOM 21919 H HG11 . VAL A 1 69 ? 10.661 3.339 -0.756 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 14 -ATOM 21920 H HG12 . VAL A 1 69 ? 9.827 4.494 0.288 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 14 -ATOM 21921 H HG13 . VAL A 1 69 ? 9.118 4.032 -1.259 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 14 -ATOM 21922 H HG21 . VAL A 1 69 ? 7.821 3.798 1.543 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 14 -ATOM 21923 H HG22 . VAL A 1 69 ? 7.136 2.193 1.294 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 14 -ATOM 21924 H HG23 . VAL A 1 69 ? 7.027 3.401 0.019 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 14 -ATOM 21925 N N . ILE A 1 70 ? 10.102 0.882 -2.583 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 14 -ATOM 21926 C CA . ILE A 1 70 ? 11.281 0.464 -3.233 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 14 -ATOM 21927 C C . ILE A 1 70 ? 12.110 1.694 -3.445 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 14 -ATOM 21928 O O . ILE A 1 70 ? 11.909 2.445 -4.415 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 14 -ATOM 21929 C CB . ILE A 1 70 ? 10.985 -0.213 -4.599 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 14 -ATOM 21930 C CG1 . ILE A 1 70 ? 9.969 -1.353 -4.425 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 14 -ATOM 21931 C CG2 . ILE A 1 70 ? 12.277 -0.750 -5.215 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 14 -ATOM 21932 C CD1 . ILE A 1 70 ? 9.549 -2.005 -5.729 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 14 -ATOM 21933 H H . ILE A 1 70 ? 9.349 1.199 -3.134 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 14 -ATOM 21934 H HA . ILE A 1 70 ? 11.805 -0.228 -2.591 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 14 -ATOM 21935 H HB . ILE A 1 70 ? 10.570 0.530 -5.265 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 14 -ATOM 21936 H HG12 . ILE A 1 70 ? 10.404 -2.118 -3.799 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 14 -ATOM 21937 H HG13 . ILE A 1 70 ? 9.083 -0.965 -3.944 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 14 -ATOM 21938 H HG21 . ILE A 1 70 ? 12.717 -1.479 -4.552 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 14 -ATOM 21939 H HG22 . ILE A 1 70 ? 12.973 0.063 -5.358 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 14 -ATOM 21940 H HG23 . ILE A 1 70 ? 12.061 -1.213 -6.167 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 14 -ATOM 21941 H HD11 . ILE A 1 70 ? 8.857 -2.809 -5.527 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 14 -ATOM 21942 H HD12 . ILE A 1 70 ? 10.423 -2.386 -6.236 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 14 -ATOM 21943 H HD13 . ILE A 1 70 ? 9.072 -1.267 -6.357 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 14 -ATOM 21944 N N . ASP A 1 71 ? 13.013 1.926 -2.532 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 14 -ATOM 21945 C CA . ASP A 1 71 ? 13.886 3.085 -2.589 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 14 -ATOM 21946 C C . ASP A 1 71 ? 14.860 2.961 -3.720 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 14 -ATOM 21947 O O . ASP A 1 71 ? 15.349 3.959 -4.236 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 14 -ATOM 21948 C CB . ASP A 1 71 ? 14.627 3.321 -1.269 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 14 -ATOM 21949 C CG . ASP A 1 71 ? 13.974 4.363 -0.396 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 14 -ATOM 21950 O OD1 . ASP A 1 71 ? 14.212 5.575 -0.642 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 14 -ATOM 21951 O OD2 . ASP A 1 71 ? 13.263 4.014 0.571 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 14 -ATOM 21952 H H . ASP A 1 71 ? 13.096 1.291 -1.784 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 14 -ATOM 21953 H HA . ASP A 1 71 ? 13.257 3.941 -2.789 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 14 -ATOM 21954 H HB2 . ASP A 1 71 ? 14.671 2.396 -0.713 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 14 -ATOM 21955 H HB3 . ASP A 1 71 ? 15.631 3.649 -1.491 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 14 -ATOM 21956 N N . GLU A 1 72 ? 15.096 1.725 -4.135 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 14 -ATOM 21957 C CA . GLU A 1 72 ? 16.017 1.423 -5.216 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 14 -ATOM 21958 C C . GLU A 1 72 ? 15.513 2.037 -6.528 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 14 -ATOM 21959 O O . GLU A 1 72 ? 16.282 2.569 -7.318 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 14 -ATOM 21960 C CB . GLU A 1 72 ? 16.130 -0.094 -5.426 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 14 -ATOM 21961 C CG . GLU A 1 72 ? 16.255 -0.941 -4.163 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 14 -ATOM 21962 C CD . GLU A 1 72 ? 17.319 -0.469 -3.213 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 14 -ATOM 21963 O OE1 . GLU A 1 72 ? 18.511 -0.625 -3.513 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 14 -ATOM 21964 O OE2 . GLU A 1 72 ? 16.969 0.076 -2.146 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 14 -ATOM 21965 H H . GLU A 1 72 ? 14.654 0.997 -3.648 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 14 -ATOM 21966 H HA . GLU A 1 72 ? 16.992 1.817 -4.971 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 14 -ATOM 21967 H HB2 . GLU A 1 72 ? 15.244 -0.421 -5.950 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 14 -ATOM 21968 H HB3 . GLU A 1 72 ? 16.986 -0.289 -6.054 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 14 -ATOM 21969 H HG2 . GLU A 1 72 ? 15.305 -0.934 -3.652 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 14 -ATOM 21970 H HG3 . GLU A 1 72 ? 16.481 -1.955 -4.458 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 14 -ATOM 21971 N N . LYS A 1 73 ? 14.209 1.961 -6.739 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 14 -ATOM 21972 C CA . LYS A 1 73 ? 13.607 2.433 -7.980 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 14 -ATOM 21973 C C . LYS A 1 73 ? 12.838 3.724 -7.762 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 14 -ATOM 21974 O O . LYS A 1 73 ? 12.301 4.300 -8.706 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 14 -ATOM 21975 C CB . LYS A 1 73 ? 12.690 1.360 -8.586 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 14 -ATOM 21976 C CG . LYS A 1 73 ? 13.403 0.086 -8.996 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 14 -ATOM 21977 C CD . LYS A 1 73 ? 12.435 -0.928 -9.588 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 14 -ATOM 21978 C CE . LYS A 1 73 ? 13.147 -2.209 -10.014 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 14 -ATOM 21979 N NZ . LYS A 1 73 ? 14.177 -1.962 -11.047 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 14 -ATOM 21980 H H . LYS A 1 73 ? 13.636 1.599 -6.031 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 14 -ATOM 21981 H HA . LYS A 1 73 ? 14.411 2.626 -8.673 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 14 -ATOM 21982 H HB2 . LYS A 1 73 ? 11.962 1.082 -7.840 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 14 -ATOM 21983 H HB3 . LYS A 1 73 ? 12.185 1.766 -9.451 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 14 -ATOM 21984 H HG2 . LYS A 1 73 ? 14.157 0.323 -9.733 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 14 -ATOM 21985 H HG3 . LYS A 1 73 ? 13.872 -0.344 -8.124 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 14 -ATOM 21986 H HD2 . LYS A 1 73 ? 11.686 -1.176 -8.851 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 14 -ATOM 21987 H HD3 . LYS A 1 73 ? 11.959 -0.490 -10.453 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 14 -ATOM 21988 H HE2 . LYS A 1 73 ? 13.621 -2.652 -9.150 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 14 -ATOM 21989 H HE3 . LYS A 1 73 ? 12.414 -2.897 -10.408 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 14 -ATOM 21990 H HZ1 . LYS A 1 73 ? 13.757 -1.537 -11.897 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 14 -ATOM 21991 H HZ2 . LYS A 1 73 ? 14.614 -2.856 -11.350 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 14 -ATOM 21992 H HZ3 . LYS A 1 73 ? 14.942 -1.343 -10.716 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 14 -ATOM 21993 N N . VAL A 1 74 ? 12.806 4.175 -6.506 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 14 -ATOM 21994 C CA . VAL A 1 74 ? 12.112 5.407 -6.092 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 14 -ATOM 21995 C C . VAL A 1 74 ? 10.585 5.251 -6.360 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 14 -ATOM 21996 O O . VAL A 1 74 ? 9.886 6.181 -6.771 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 14 -ATOM 21997 C CB . VAL A 1 74 ? 12.721 6.678 -6.820 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 14 -ATOM 21998 C CG1 . VAL A 1 74 ? 12.186 7.984 -6.236 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 14 -ATOM 21999 C CG2 . VAL A 1 74 ? 14.249 6.668 -6.755 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 14 -ATOM 22000 H H . VAL A 1 74 ? 13.273 3.654 -5.821 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 14 -ATOM 22001 H HA . VAL A 1 74 ? 12.246 5.499 -5.025 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 14 -ATOM 22002 H HB . VAL A 1 74 ? 12.427 6.635 -7.858 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 14 -ATOM 22003 H HG11 . VAL A 1 74 ? 11.116 8.018 -6.364 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 14 -ATOM 22004 H HG12 . VAL A 1 74 ? 12.638 8.820 -6.750 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 14 -ATOM 22005 H HG13 . VAL A 1 74 ? 12.425 8.033 -5.183 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 14 -ATOM 22006 H HG21 . VAL A 1 74 ? 14.621 5.781 -7.246 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 14 -ATOM 22007 H HG22 . VAL A 1 74 ? 14.563 6.662 -5.722 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 14 -ATOM 22008 H HG23 . VAL A 1 74 ? 14.641 7.546 -7.248 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 14 -ATOM 22009 N N . VAL A 1 75 ? 10.071 4.079 -6.065 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 14 -ATOM 22010 C CA . VAL A 1 75 ? 8.679 3.784 -6.311 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 14 -ATOM 22011 C C . VAL A 1 75 ? 8.057 3.082 -5.105 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 14 -ATOM 22012 O O . VAL A 1 75 ? 8.685 2.254 -4.451 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 14 -ATOM 22013 C CB . VAL A 1 75 ? 8.500 2.918 -7.614 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 14 -ATOM 22014 C CG1 . VAL A 1 75 ? 9.216 1.591 -7.499 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 14 -ATOM 22015 C CG2 . VAL A 1 75 ? 7.027 2.699 -7.959 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 14 -ATOM 22016 H H . VAL A 1 75 ? 10.629 3.394 -5.635 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 14 -ATOM 22017 H HA . VAL A 1 75 ? 8.167 4.725 -6.458 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 14 -ATOM 22018 H HB . VAL A 1 75 ? 8.963 3.461 -8.426 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 14 -ATOM 22019 H HG11 . VAL A 1 75 ? 9.136 1.053 -8.430 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 14 -ATOM 22020 H HG12 . VAL A 1 75 ? 8.756 1.015 -6.709 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 14 -ATOM 22021 H HG13 . VAL A 1 75 ? 10.252 1.775 -7.263 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 14 -ATOM 22022 H HG21 . VAL A 1 75 ? 6.949 2.106 -8.858 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 14 -ATOM 22023 H HG22 . VAL A 1 75 ? 6.540 3.651 -8.113 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 14 -ATOM 22024 H HG23 . VAL A 1 75 ? 6.543 2.180 -7.146 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 14 -ATOM 22025 N N . VAL A 1 76 ? 6.870 3.465 -4.798 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 14 -ATOM 22026 C CA . VAL A 1 76 ? 6.088 2.861 -3.781 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 14 -ATOM 22027 C C . VAL A 1 76 ? 5.192 1.840 -4.470 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 14 -ATOM 22028 O O . VAL A 1 76 ? 4.350 2.195 -5.308 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 14 -ATOM 22029 C CB . VAL A 1 76 ? 5.244 3.935 -3.051 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 14 -ATOM 22030 C CG1 . VAL A 1 76 ? 4.342 3.316 -2.012 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 14 -ATOM 22031 C CG2 . VAL A 1 76 ? 6.148 4.980 -2.408 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 14 -ATOM 22032 H H . VAL A 1 76 ? 6.459 4.199 -5.301 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 14 -ATOM 22033 H HA . VAL A 1 76 ? 6.743 2.365 -3.080 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 14 -ATOM 22034 H HB . VAL A 1 76 ? 4.636 4.434 -3.789 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 14 -ATOM 22035 H HG11 . VAL A 1 76 ? 3.769 4.091 -1.523 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 14 -ATOM 22036 H HG12 . VAL A 1 76 ? 4.939 2.798 -1.275 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 14 -ATOM 22037 H HG13 . VAL A 1 76 ? 3.669 2.618 -2.486 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 14 -ATOM 22038 H HG21 . VAL A 1 76 ? 5.550 5.705 -1.874 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 14 -ATOM 22039 H HG22 . VAL A 1 76 ? 6.711 5.482 -3.181 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 14 -ATOM 22040 H HG23 . VAL A 1 76 ? 6.833 4.500 -1.726 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 14 -ATOM 22041 N N . PHE A 1 77 ? 5.399 0.597 -4.158 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 14 -ATOM 22042 C CA . PHE A 1 77 ? 4.727 -0.484 -4.828 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 14 -ATOM 22043 C C . PHE A 1 77 ? 3.726 -1.141 -3.896 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 14 -ATOM 22044 O O . PHE A 1 77 ? 4.107 -1.761 -2.899 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 14 -ATOM 22045 C CB . PHE A 1 77 ? 5.785 -1.486 -5.312 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 14 -ATOM 22046 C CG . PHE A 1 77 ? 5.267 -2.646 -6.110 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 14 -ATOM 22047 C CD1 . PHE A 1 77 ? 4.848 -2.468 -7.413 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 14 -ATOM 22048 C CD2 . PHE A 1 77 ? 5.234 -3.921 -5.563 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 14 -ATOM 22049 C CE1 . PHE A 1 77 ? 4.401 -3.535 -8.160 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 14 -ATOM 22050 C CE2 . PHE A 1 77 ? 4.784 -4.992 -6.304 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 14 -ATOM 22051 C CZ . PHE A 1 77 ? 4.370 -4.799 -7.607 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 14 -ATOM 22052 H H . PHE A 1 77 ? 6.022 0.373 -3.430 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 14 -ATOM 22053 H HA . PHE A 1 77 ? 4.214 -0.084 -5.689 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 14 -ATOM 22054 H HB2 . PHE A 1 77 ? 6.498 -0.965 -5.933 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 14 -ATOM 22055 H HB3 . PHE A 1 77 ? 6.302 -1.879 -4.450 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 14 -ATOM 22056 H HD1 . PHE A 1 77 ? 4.870 -1.480 -7.849 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 14 -ATOM 22057 H HD2 . PHE A 1 77 ? 5.556 -4.071 -4.544 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 14 -ATOM 22058 H HE1 . PHE A 1 77 ? 4.075 -3.380 -9.177 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 14 -ATOM 22059 H HE2 . PHE A 1 77 ? 4.761 -5.980 -5.868 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 14 -ATOM 22060 H HZ . PHE A 1 77 ? 4.020 -5.635 -8.194 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 14 -ATOM 22061 N N . VAL A 1 78 ? 2.457 -0.976 -4.201 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 14 -ATOM 22062 C CA . VAL A 1 78 ? 1.387 -1.550 -3.403 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 14 -ATOM 22063 C C . VAL A 1 78 ? 1.309 -3.041 -3.667 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 14 -ATOM 22064 O O . VAL A 1 78 ? 1.136 -3.465 -4.809 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 14 -ATOM 22065 C CB . VAL A 1 78 ? 0.015 -0.876 -3.696 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 14 -ATOM 22066 C CG1 . VAL A 1 78 ? -1.093 -1.471 -2.825 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 14 -ATOM 22067 C CG2 . VAL A 1 78 ? 0.105 0.632 -3.485 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 14 -ATOM 22068 H H . VAL A 1 78 ? 2.240 -0.462 -5.014 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 14 -ATOM 22069 H HA . VAL A 1 78 ? 1.639 -1.407 -2.363 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 14 -ATOM 22070 H HB . VAL A 1 78 ? -0.239 -1.060 -4.729 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 14 -ATOM 22071 H HG11 . VAL A 1 78 ? -2.034 -0.985 -3.041 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 14 -ATOM 22072 H HG12 . VAL A 1 78 ? -0.851 -1.334 -1.781 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 14 -ATOM 22073 H HG13 . VAL A 1 78 ? -1.182 -2.527 -3.029 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 14 -ATOM 22074 H HG21 . VAL A 1 78 ? 0.844 1.042 -4.156 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 14 -ATOM 22075 H HG22 . VAL A 1 78 ? 0.393 0.841 -2.466 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 14 -ATOM 22076 H HG23 . VAL A 1 78 ? -0.856 1.084 -3.688 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 14 -ATOM 22077 N N . ILE A 1 79 ? 1.449 -3.820 -2.619 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 14 -ATOM 22078 C CA . ILE A 1 79 ? 1.485 -5.265 -2.743 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 14 -ATOM 22079 C C . ILE A 1 79 ? 0.092 -5.842 -2.530 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 14 -ATOM 22080 O O . ILE A 1 79 ? -0.343 -6.737 -3.255 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 14 -ATOM 22081 C CB . ILE A 1 79 ? 2.446 -5.882 -1.692 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 14 -ATOM 22082 C CG1 . ILE A 1 79 ? 3.817 -5.195 -1.749 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 14 -ATOM 22083 C CG2 . ILE A 1 79 ? 2.600 -7.389 -1.929 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 14 -ATOM 22084 C CD1 . ILE A 1 79 ? 4.766 -5.626 -0.652 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 14 -ATOM 22085 H H . ILE A 1 79 ? 1.519 -3.413 -1.728 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 14 -ATOM 22086 H HA . ILE A 1 79 ? 1.841 -5.521 -3.731 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 14 -ATOM 22087 H HB . ILE A 1 79 ? 2.019 -5.734 -0.711 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 14 -ATOM 22088 H HG12 . ILE A 1 79 ? 4.286 -5.420 -2.696 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 14 -ATOM 22089 H HG13 . ILE A 1 79 ? 3.679 -4.126 -1.672 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 14 -ATOM 22090 H HG21 . ILE A 1 79 ? 3.282 -7.795 -1.197 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 14 -ATOM 22091 H HG22 . ILE A 1 79 ? 2.992 -7.563 -2.920 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 14 -ATOM 22092 H HG23 . ILE A 1 79 ? 1.639 -7.872 -1.832 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 14 -ATOM 22093 H HD11 . ILE A 1 79 ? 4.908 -6.696 -0.701 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 14 -ATOM 22094 H HD12 . ILE A 1 79 ? 4.351 -5.356 0.309 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 14 -ATOM 22095 H HD13 . ILE A 1 79 ? 5.717 -5.132 -0.787 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 14 -ATOM 22096 N N . SER A 1 80 ? -0.609 -5.314 -1.545 1.00 0.00 ? ? ? ? ? ? 77 SER A N 14 -ATOM 22097 C CA . SER A 1 80 ? -1.923 -5.784 -1.224 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 14 -ATOM 22098 C C . SER A 1 80 ? -2.694 -4.661 -0.552 1.00 0.00 ? ? ? ? ? ? 77 SER A C 14 -ATOM 22099 O O . SER A 1 80 ? -2.099 -3.750 0.047 1.00 0.00 ? ? ? ? ? ? 77 SER A O 14 -ATOM 22100 C CB . SER A 1 80 ? -1.837 -7.025 -0.304 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 14 -ATOM 22101 O OG . SER A 1 80 ? -3.115 -7.620 -0.099 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 14 -ATOM 22102 H H . SER A 1 80 ? -0.257 -4.569 -1.009 1.00 0.00 ? ? ? ? ? ? 77 SER A H 14 -ATOM 22103 H HA . SER A 1 80 ? -2.417 -6.057 -2.144 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 14 -ATOM 22104 H HB2 . SER A 1 80 ? -1.184 -7.757 -0.757 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 14 -ATOM 22105 H HB3 . SER A 1 80 ? -1.431 -6.730 0.652 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 14 -ATOM 22106 H HG . SER A 1 80 ? -3.341 -8.040 -0.939 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 14 -ATOM 22107 N N . VAL A 1 81 ? -3.986 -4.708 -0.665 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 14 -ATOM 22108 C CA . VAL A 1 81 ? -4.857 -3.720 -0.101 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 14 -ATOM 22109 C C . VAL A 1 81 ? -6.163 -4.401 0.266 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 14 -ATOM 22110 O O . VAL A 1 81 ? -6.560 -5.362 -0.402 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 14 -ATOM 22111 C CB . VAL A 1 81 ? -5.099 -2.543 -1.117 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 14 -ATOM 22112 C CG1 . VAL A 1 81 ? -5.714 -3.033 -2.422 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 14 -ATOM 22113 C CG2 . VAL A 1 81 ? -5.951 -1.443 -0.510 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 14 -ATOM 22114 H H . VAL A 1 81 ? -4.408 -5.460 -1.134 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 14 -ATOM 22115 H HA . VAL A 1 81 ? -4.391 -3.332 0.792 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 14 -ATOM 22116 H HB . VAL A 1 81 ? -4.133 -2.127 -1.362 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 14 -ATOM 22117 H HG11 . VAL A 1 81 ? -5.047 -3.744 -2.887 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 14 -ATOM 22118 H HG12 . VAL A 1 81 ? -5.866 -2.196 -3.088 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 14 -ATOM 22119 H HG13 . VAL A 1 81 ? -6.661 -3.510 -2.219 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 14 -ATOM 22120 H HG21 . VAL A 1 81 ? -6.080 -0.654 -1.236 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 14 -ATOM 22121 H HG22 . VAL A 1 81 ? -5.456 -1.050 0.365 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 14 -ATOM 22122 H HG23 . VAL A 1 81 ? -6.916 -1.840 -0.231 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 14 -ATOM 22123 N N . GLY A 1 82 ? -6.776 -3.993 1.350 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 14 -ATOM 22124 C CA . GLY A 1 82 ? -8.053 -4.536 1.684 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 14 -ATOM 22125 C C . GLY A 1 82 ? -8.278 -4.598 3.160 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 14 -ATOM 22126 O O . GLY A 1 82 ? -7.919 -3.681 3.891 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 14 -ATOM 22127 H H . GLY A 1 82 ? -6.354 -3.352 1.971 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 14 -ATOM 22128 H HA2 . GLY A 1 82 ? -8.825 -3.929 1.235 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 14 -ATOM 22129 H HA3 . GLY A 1 82 ? -8.113 -5.535 1.280 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 14 -ATOM 22130 N N . LYS A 1 83 ? -8.867 -5.652 3.601 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 14 -ATOM 22131 C CA . LYS A 1 83 ? -9.143 -5.837 4.988 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 14 -ATOM 22132 C C . LYS A 1 83 ? -8.222 -6.881 5.554 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 14 -ATOM 22133 O O . LYS A 1 83 ? -8.481 -8.077 5.473 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 14 -ATOM 22134 C CB . LYS A 1 83 ? -10.608 -6.189 5.209 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 14 -ATOM 22135 C CG . LYS A 1 83 ? -11.559 -5.054 4.850 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 14 -ATOM 22136 C CD . LYS A 1 83 ? -13.020 -5.448 4.999 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 14 -ATOM 22137 C CE . LYS A 1 83 ? -13.429 -6.525 4.004 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 14 -ATOM 22138 N NZ . LYS A 1 83 ? -13.323 -6.074 2.597 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 14 -ATOM 22139 H H . LYS A 1 83 ? -9.120 -6.358 2.968 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 14 -ATOM 22140 H HA . LYS A 1 83 ? -8.931 -4.900 5.481 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 14 -ATOM 22141 H HB2 . LYS A 1 83 ? -10.840 -7.040 4.587 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 14 -ATOM 22142 H HB3 . LYS A 1 83 ? -10.758 -6.458 6.242 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 14 -ATOM 22143 H HG2 . LYS A 1 83 ? -11.357 -4.216 5.501 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 14 -ATOM 22144 H HG3 . LYS A 1 83 ? -11.373 -4.759 3.827 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 14 -ATOM 22145 H HD2 . LYS A 1 83 ? -13.178 -5.828 5.997 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 14 -ATOM 22146 H HD3 . LYS A 1 83 ? -13.637 -4.575 4.847 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 14 -ATOM 22147 H HE2 . LYS A 1 83 ? -12.779 -7.374 4.143 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 14 -ATOM 22148 H HE3 . LYS A 1 83 ? -14.448 -6.808 4.214 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 14 -ATOM 22149 H HZ1 . LYS A 1 83 ? -13.617 -6.820 1.935 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 14 -ATOM 22150 H HZ2 . LYS A 1 83 ? -12.342 -5.843 2.353 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 14 -ATOM 22151 H HZ3 . LYS A 1 83 ? -13.918 -5.236 2.415 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 14 -ATOM 22152 N N . ALA A 1 84 ? -7.116 -6.414 6.048 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 14 -ATOM 22153 C CA . ALA A 1 84 ? -6.110 -7.251 6.619 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 14 -ATOM 22154 C C . ALA A 1 84 ? -6.349 -7.380 8.091 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 14 -ATOM 22155 O O . ALA A 1 84 ? -6.232 -6.388 8.812 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 14 -ATOM 22156 C CB . ALA A 1 84 ? -4.765 -6.619 6.400 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 14 -ATOM 22157 H H . ALA A 1 84 ? -6.980 -5.446 6.037 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 14 -ATOM 22158 H HA . ALA A 1 84 ? -6.113 -8.216 6.132 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 14 -ATOM 22159 H HB1 . ALA A 1 84 ? -4.594 -6.493 5.342 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 14 -ATOM 22160 H HB2 . ALA A 1 84 ? -4.002 -7.252 6.824 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 14 -ATOM 22161 H HB3 . ALA A 1 84 ? -4.742 -5.653 6.884 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 14 -ATOM 22162 N N . GLU A 1 85 ? -6.679 -8.566 8.548 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 14 -ATOM 22163 C CA . GLU A 1 85 ? -6.921 -8.769 9.962 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 14 -ATOM 22164 C C . GLU A 1 85 ? -5.607 -8.608 10.748 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 14 -ATOM 22165 O O . GLU A 1 85 ? -5.545 -7.853 11.732 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 14 -ATOM 22166 C CB . GLU A 1 85 ? -7.630 -10.130 10.252 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 14 -ATOM 22167 C CG . GLU A 1 85 ? -6.794 -11.405 10.078 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 14 -ATOM 22168 C CD . GLU A 1 85 ? -6.225 -11.598 8.693 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 14 -ATOM 22169 O OE1 . GLU A 1 85 ? -5.103 -11.109 8.436 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 14 -ATOM 22170 O OE2 . GLU A 1 85 ? -6.862 -12.255 7.857 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 14 -ATOM 22171 H H . GLU A 1 85 ? -6.768 -9.320 7.926 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 14 -ATOM 22172 H HA . GLU A 1 85 ? -7.563 -7.962 10.278 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 14 -ATOM 22173 H HB2 . GLU A 1 85 ? -7.983 -10.114 11.273 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 14 -ATOM 22174 H HB3 . GLU A 1 85 ? -8.492 -10.200 9.604 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 14 -ATOM 22175 H HG2 . GLU A 1 85 ? -5.967 -11.341 10.770 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 14 -ATOM 22176 H HG3 . GLU A 1 85 ? -7.407 -12.256 10.334 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 14 -ATOM 22177 N N . ALA A 1 86 ? -4.555 -9.265 10.257 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 14 -ATOM 22178 C CA . ALA A 1 86 ? -3.237 -9.216 10.847 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 14 -ATOM 22179 C C . ALA A 1 86 ? -2.207 -9.909 9.955 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 14 -ATOM 22180 O O . ALA A 1 86 ? -1.191 -9.326 9.604 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 14 -ATOM 22181 C CB . ALA A 1 86 ? -3.235 -9.874 12.220 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 14 -ATOM 22182 H H . ALA A 1 86 ? -4.703 -9.829 9.459 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 14 -ATOM 22183 H HA . ALA A 1 86 ? -2.963 -8.178 10.971 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 14 -ATOM 22184 H HB1 . ALA A 1 86 ? -2.257 -9.763 12.660 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 14 -ATOM 22185 H HB2 . ALA A 1 86 ? -3.468 -10.923 12.115 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 14 -ATOM 22186 H HB3 . ALA A 1 86 ? -3.973 -9.399 12.850 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 14 -ATOM 22187 N N . SER A 1 87 ? -2.491 -11.125 9.549 1.00 0.00 ? ? ? ? ? ? 84 SER A N 14 -ATOM 22188 C CA . SER A 1 87 ? -1.495 -11.937 8.868 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 14 -ATOM 22189 C C . SER A 1 87 ? -1.733 -12.046 7.350 1.00 0.00 ? ? ? ? ? ? 84 SER A C 14 -ATOM 22190 O O . SER A 1 87 ? -0.816 -12.424 6.606 1.00 0.00 ? ? ? ? ? ? 84 SER A O 14 -ATOM 22191 C CB . SER A 1 87 ? -1.459 -13.333 9.501 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 14 -ATOM 22192 O OG . SER A 1 87 ? -1.267 -13.253 10.921 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 14 -ATOM 22193 H H . SER A 1 87 ? -3.394 -11.489 9.683 1.00 0.00 ? ? ? ? ? ? 84 SER A H 14 -ATOM 22194 H HA . SER A 1 87 ? -0.533 -11.477 9.034 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 14 -ATOM 22195 H HB2 . SER A 1 87 ? -2.396 -13.832 9.305 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 14 -ATOM 22196 H HB3 . SER A 1 87 ? -0.653 -13.908 9.071 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 14 -ATOM 22197 H HG . SER A 1 87 ? -2.116 -13.513 11.303 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 14 -ATOM 22198 N N . GLU A 1 88 ? -2.931 -11.681 6.888 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 14 -ATOM 22199 C CA . GLU A 1 88 ? -3.315 -11.856 5.475 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 14 -ATOM 22200 C C . GLU A 1 88 ? -2.347 -11.127 4.526 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 14 -ATOM 22201 O O . GLU A 1 88 ? -1.751 -11.736 3.637 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 14 -ATOM 22202 C CB . GLU A 1 88 ? -4.727 -11.298 5.259 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 14 -ATOM 22203 C CG . GLU A 1 88 ? -5.349 -11.651 3.921 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 14 -ATOM 22204 C CD . GLU A 1 88 ? -5.790 -13.093 3.850 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 14 -ATOM 22205 O OE1 . GLU A 1 88 ? -4.944 -14.004 3.791 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 14 -ATOM 22206 O OE2 . GLU A 1 88 ? -7.009 -13.348 3.858 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 14 -ATOM 22207 H H . GLU A 1 88 ? -3.612 -11.325 7.508 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 14 -ATOM 22208 H HA . GLU A 1 88 ? -3.324 -12.911 5.247 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 14 -ATOM 22209 H HB2 . GLU A 1 88 ? -5.369 -11.678 6.039 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 14 -ATOM 22210 H HB3 . GLU A 1 88 ? -4.683 -10.221 5.340 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 14 -ATOM 22211 H HG2 . GLU A 1 88 ? -6.209 -11.021 3.757 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 14 -ATOM 22212 H HG3 . GLU A 1 88 ? -4.620 -11.476 3.145 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 14 -ATOM 22213 N N . VAL A 1 89 ? -2.129 -9.851 4.780 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 14 -ATOM 22214 C CA . VAL A 1 89 ? -1.286 -9.041 3.903 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 14 -ATOM 22215 C C . VAL A 1 89 ? 0.189 -9.332 4.088 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 14 -ATOM 22216 O O . VAL A 1 89 ? 0.967 -9.228 3.145 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 14 -ATOM 22217 C CB . VAL A 1 89 ? -1.562 -7.534 4.043 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 14 -ATOM 22218 C CG1 . VAL A 1 89 ? -2.940 -7.198 3.500 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 14 -ATOM 22219 C CG2 . VAL A 1 89 ? -1.421 -7.093 5.499 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 14 -ATOM 22220 H H . VAL A 1 89 ? -2.557 -9.458 5.567 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 14 -ATOM 22221 H HA . VAL A 1 89 ? -1.541 -9.335 2.895 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 14 -ATOM 22222 H HB . VAL A 1 89 ? -0.840 -6.993 3.449 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 14 -ATOM 22223 H HG11 . VAL A 1 89 ? -3.683 -7.780 4.025 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 14 -ATOM 22224 H HG12 . VAL A 1 89 ? -2.983 -7.429 2.447 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 14 -ATOM 22225 H HG13 . VAL A 1 89 ? -3.137 -6.147 3.646 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 14 -ATOM 22226 H HG21 . VAL A 1 89 ? -1.678 -6.049 5.592 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 14 -ATOM 22227 H HG22 . VAL A 1 89 ? -0.399 -7.240 5.819 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 14 -ATOM 22228 H HG23 . VAL A 1 89 ? -2.078 -7.684 6.118 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 14 -ATOM 22229 N N . TYR A 1 90 ? 0.566 -9.716 5.298 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 14 -ATOM 22230 C CA . TYR A 1 90 ? 1.943 -10.079 5.575 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 14 -ATOM 22231 C C . TYR A 1 90 ? 2.331 -11.297 4.775 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 14 -ATOM 22232 O O . TYR A 1 90 ? 3.397 -11.335 4.183 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 14 -ATOM 22233 C CB . TYR A 1 90 ? 2.179 -10.323 7.070 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 14 -ATOM 22234 C CG . TYR A 1 90 ? 2.455 -9.076 7.890 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 14 -ATOM 22235 C CD1 . TYR A 1 90 ? 1.455 -8.162 8.195 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 14 -ATOM 22236 C CD2 . TYR A 1 90 ? 3.733 -8.826 8.369 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 14 -ATOM 22237 C CE1 . TYR A 1 90 ? 1.729 -7.035 8.955 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 14 -ATOM 22238 C CE2 . TYR A 1 90 ? 4.015 -7.711 9.130 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 14 -ATOM 22239 C CZ . TYR A 1 90 ? 3.014 -6.819 9.421 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 14 -ATOM 22240 O OH . TYR A 1 90 ? 3.294 -5.707 10.195 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 14 -ATOM 22241 H H . TYR A 1 90 ? -0.101 -9.767 6.012 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 14 -ATOM 22242 H HA . TYR A 1 90 ? 2.562 -9.255 5.253 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 14 -ATOM 22243 H HB2 . TYR A 1 90 ? 1.304 -10.797 7.488 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 14 -ATOM 22244 H HB3 . TYR A 1 90 ? 3.022 -10.988 7.182 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 14 -ATOM 22245 H HD1 . TYR A 1 90 ? 0.454 -8.337 7.830 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 14 -ATOM 22246 H HD2 . TYR A 1 90 ? 4.523 -9.527 8.141 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 14 -ATOM 22247 H HE1 . TYR A 1 90 ? 0.942 -6.332 9.183 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 14 -ATOM 22248 H HE2 . TYR A 1 90 ? 5.019 -7.542 9.489 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 14 -ATOM 22249 H HH . TYR A 1 90 ? 2.570 -5.660 10.835 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 14 -ATOM 22250 N N . SER A 1 91 ? 1.432 -12.252 4.708 1.00 0.00 ? ? ? ? ? ? 88 SER A N 14 -ATOM 22251 C CA . SER A 1 91 ? 1.670 -13.476 3.985 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 14 -ATOM 22252 C C . SER A 1 91 ? 1.758 -13.230 2.482 1.00 0.00 ? ? ? ? ? ? 88 SER A C 14 -ATOM 22253 O O . SER A 1 91 ? 2.671 -13.742 1.820 1.00 0.00 ? ? ? ? ? ? 88 SER A O 14 -ATOM 22254 C CB . SER A 1 91 ? 0.596 -14.479 4.335 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 14 -ATOM 22255 O OG . SER A 1 91 ? 0.569 -14.671 5.750 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 14 -ATOM 22256 H H . SER A 1 91 ? 0.571 -12.138 5.166 1.00 0.00 ? ? ? ? ? ? 88 SER A H 14 -ATOM 22257 H HA . SER A 1 91 ? 2.623 -13.864 4.308 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 14 -ATOM 22258 H HB2 . SER A 1 91 ? -0.361 -14.099 4.008 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 14 -ATOM 22259 H HB3 . SER A 1 91 ? 0.806 -15.423 3.855 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 14 -ATOM 22260 H HG . SER A 1 91 ? 0.010 -13.978 6.135 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 14 -ATOM 22261 N N . GLU A 1 92 ? 0.853 -12.401 1.965 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 14 -ATOM 22262 C CA . GLU A 1 92 ? 0.858 -12.044 0.546 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 14 -ATOM 22263 C C . GLU A 1 92 ? 2.152 -11.349 0.171 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 14 -ATOM 22264 O O . GLU A 1 92 ? 2.693 -11.563 -0.903 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 14 -ATOM 22265 C CB . GLU A 1 92 ? -0.318 -11.125 0.205 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 14 -ATOM 22266 C CG . GLU A 1 92 ? -1.677 -11.789 0.245 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 14 -ATOM 22267 C CD . GLU A 1 92 ? -1.830 -12.857 -0.807 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 14 -ATOM 22268 O OE1 . GLU A 1 92 ? -2.021 -12.524 -2.002 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 14 -ATOM 22269 O OE2 . GLU A 1 92 ? -1.824 -14.047 -0.471 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 14 -ATOM 22270 H H . GLU A 1 92 ? 0.151 -12.032 2.544 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 14 -ATOM 22271 H HA . GLU A 1 92 ? 0.772 -12.952 -0.030 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 14 -ATOM 22272 H HB2 . GLU A 1 92 ? -0.327 -10.303 0.905 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 14 -ATOM 22273 H HB3 . GLU A 1 92 ? -0.165 -10.728 -0.788 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 14 -ATOM 22274 H HG2 . GLU A 1 92 ? -1.814 -12.243 1.217 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 14 -ATOM 22275 H HG3 . GLU A 1 92 ? -2.438 -11.038 0.089 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 14 -ATOM 22276 N N . ALA A 1 93 ? 2.650 -10.541 1.063 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 14 -ATOM 22277 C CA . ALA A 1 93 ? 3.848 -9.802 0.806 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 14 -ATOM 22278 C C . ALA A 1 93 ? 5.112 -10.649 0.998 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 14 -ATOM 22279 O O . ALA A 1 93 ? 5.890 -10.816 0.067 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 14 -ATOM 22280 C CB . ALA A 1 93 ? 3.888 -8.549 1.658 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 14 -ATOM 22281 H H . ALA A 1 93 ? 2.184 -10.429 1.921 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 14 -ATOM 22282 H HA . ALA A 1 93 ? 3.812 -9.495 -0.228 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 14 -ATOM 22283 H HB1 . ALA A 1 93 ? 2.990 -7.972 1.492 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 14 -ATOM 22284 H HB2 . ALA A 1 93 ? 4.752 -7.957 1.393 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 14 -ATOM 22285 H HB3 . ALA A 1 93 ? 3.946 -8.827 2.699 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 14 -ATOM 22286 N N . VAL A 1 94 ? 5.277 -11.242 2.170 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 14 -ATOM 22287 C CA . VAL A 1 94 ? 6.536 -11.921 2.511 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 14 -ATOM 22288 C C . VAL A 1 94 ? 6.809 -13.148 1.630 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 14 -ATOM 22289 O O . VAL A 1 94 ? 7.954 -13.443 1.315 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 14 -ATOM 22290 C CB . VAL A 1 94 ? 6.643 -12.290 4.032 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 14 -ATOM 22291 C CG1 . VAL A 1 94 ? 5.724 -13.438 4.426 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 14 -ATOM 22292 C CG2 . VAL A 1 94 ? 8.088 -12.570 4.441 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 14 -ATOM 22293 H H . VAL A 1 94 ? 4.538 -11.234 2.821 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 14 -ATOM 22294 H HA . VAL A 1 94 ? 7.318 -11.210 2.284 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 14 -ATOM 22295 H HB . VAL A 1 94 ? 6.306 -11.425 4.584 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 14 -ATOM 22296 H HG11 . VAL A 1 94 ? 5.970 -14.313 3.842 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 14 -ATOM 22297 H HG12 . VAL A 1 94 ? 4.698 -13.157 4.238 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 14 -ATOM 22298 H HG13 . VAL A 1 94 ? 5.855 -13.658 5.475 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 14 -ATOM 22299 H HG21 . VAL A 1 94 ? 8.684 -11.684 4.278 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 14 -ATOM 22300 H HG22 . VAL A 1 94 ? 8.479 -13.377 3.841 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 14 -ATOM 22301 H HG23 . VAL A 1 94 ? 8.124 -12.844 5.485 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 14 -ATOM 22302 N N . LYS A 1 95 ? 5.766 -13.843 1.210 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 14 -ATOM 22303 C CA . LYS A 1 95 ? 5.963 -15.021 0.382 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 14 -ATOM 22304 C C . LYS A 1 95 ? 6.284 -14.624 -1.051 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 14 -ATOM 22305 O O . LYS A 1 95 ? 7.020 -15.321 -1.766 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 14 -ATOM 22306 C CB . LYS A 1 95 ? 4.745 -15.943 0.424 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 14 -ATOM 22307 C CG . LYS A 1 95 ? 4.413 -16.508 1.809 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 14 -ATOM 22308 C CD . LYS A 1 95 ? 5.570 -17.318 2.379 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 14 -ATOM 22309 C CE . LYS A 1 95 ? 5.209 -17.969 3.707 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 14 -ATOM 22310 N NZ . LYS A 1 95 ? 4.865 -16.985 4.756 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 14 -ATOM 22311 H H . LYS A 1 95 ? 4.859 -13.560 1.457 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 14 -ATOM 22312 H HA . LYS A 1 95 ? 6.818 -15.553 0.771 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 14 -ATOM 22313 H HB2 . LYS A 1 95 ? 3.885 -15.390 0.074 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 14 -ATOM 22314 H HB3 . LYS A 1 95 ? 4.922 -16.771 -0.244 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 14 -ATOM 22315 H HG2 . LYS A 1 95 ? 4.201 -15.689 2.480 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 14 -ATOM 22316 H HG3 . LYS A 1 95 ? 3.543 -17.142 1.731 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 14 -ATOM 22317 H HD2 . LYS A 1 95 ? 5.848 -18.087 1.674 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 14 -ATOM 22318 H HD3 . LYS A 1 95 ? 6.407 -16.655 2.533 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 14 -ATOM 22319 H HE2 . LYS A 1 95 ? 4.354 -18.607 3.550 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 14 -ATOM 22320 H HE3 . LYS A 1 95 ? 6.046 -18.566 4.039 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 14 -ATOM 22321 H HZ1 . LYS A 1 95 ? 5.650 -16.342 4.972 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 14 -ATOM 22322 H HZ2 . LYS A 1 95 ? 4.623 -17.489 5.632 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 14 -ATOM 22323 H HZ3 . LYS A 1 95 ? 4.012 -16.433 4.534 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 14 -ATOM 22324 N N . ARG A 1 96 ? 5.781 -13.486 -1.456 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 14 -ATOM 22325 C CA . ARG A 1 96 ? 5.963 -13.029 -2.808 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 14 -ATOM 22326 C C . ARG A 1 96 ? 7.240 -12.245 -2.994 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 14 -ATOM 22327 O O . ARG A 1 96 ? 7.850 -12.311 -4.062 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 14 -ATOM 22328 C CB . ARG A 1 96 ? 4.770 -12.247 -3.292 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 14 -ATOM 22329 C CG . ARG A 1 96 ? 3.525 -13.089 -3.475 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 14 -ATOM 22330 C CD . ARG A 1 96 ? 2.429 -12.257 -4.081 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 14 -ATOM 22331 N NE . ARG A 1 96 ? 2.855 -11.691 -5.362 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 14 -ATOM 22332 C CZ . ARG A 1 96 ? 2.350 -10.600 -5.921 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 14 -ATOM 22333 N NH1 . ARG A 1 96 ? 1.375 -9.932 -5.322 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 14 -ATOM 22334 N NH2 . ARG A 1 96 ? 2.841 -10.161 -7.058 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 14 -ATOM 22335 H H . ARG A 1 96 ? 5.285 -12.927 -0.819 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 14 -ATOM 22336 H HA . ARG A 1 96 ? 6.043 -13.917 -3.417 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 14 -ATOM 22337 H HB2 . ARG A 1 96 ? 4.550 -11.472 -2.571 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 14 -ATOM 22338 H HB3 . ARG A 1 96 ? 5.006 -11.781 -4.237 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 14 -ATOM 22339 H HG2 . ARG A 1 96 ? 3.750 -13.921 -4.125 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 14 -ATOM 22340 H HG3 . ARG A 1 96 ? 3.201 -13.454 -2.511 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 14 -ATOM 22341 H HD2 . ARG A 1 96 ? 1.563 -12.883 -4.240 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 14 -ATOM 22342 H HD3 . ARG A 1 96 ? 2.180 -11.451 -3.407 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 14 -ATOM 22343 H HE . ARG A 1 96 ? 3.583 -12.177 -5.811 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 14 -ATOM 22344 H HH11 . ARG A 1 96 ? 0.988 -10.193 -4.439 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 14 -ATOM 22345 H HH12 . ARG A 1 96 ? 0.954 -9.136 -5.794 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 14 -ATOM 22346 H HH21 . ARG A 1 96 ? 3.592 -10.609 -7.549 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 14 -ATOM 22347 H HH22 . ARG A 1 96 ? 2.478 -9.317 -7.489 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 14 -ATOM 22348 N N . ILE A 1 97 ? 7.635 -11.489 -1.993 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 14 -ATOM 22349 C CA . ILE A 1 97 ? 8.886 -10.761 -2.058 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 14 -ATOM 22350 C C . ILE A 1 97 ? 10.037 -11.722 -1.832 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 14 -ATOM 22351 O O . ILE A 1 97 ? 10.174 -12.336 -0.762 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 14 -ATOM 22352 C CB . ILE A 1 97 ? 8.952 -9.503 -1.095 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 14 -ATOM 22353 C CG1 . ILE A 1 97 ? 8.188 -8.289 -1.684 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 14 -ATOM 22354 C CG2 . ILE A 1 97 ? 10.395 -9.095 -0.784 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 14 -ATOM 22355 C CD1 . ILE A 1 97 ? 6.704 -8.481 -1.896 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 14 -ATOM 22356 H H . ILE A 1 97 ? 7.081 -11.416 -1.183 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 14 -ATOM 22357 H HA . ILE A 1 97 ? 8.966 -10.425 -3.082 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 14 -ATOM 22358 H HB . ILE A 1 97 ? 8.483 -9.783 -0.163 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 14 -ATOM 22359 H HG12 . ILE A 1 97 ? 8.307 -7.447 -1.018 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 14 -ATOM 22360 H HG13 . ILE A 1 97 ? 8.634 -8.034 -2.636 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 14 -ATOM 22361 H HG21 . ILE A 1 97 ? 10.905 -8.852 -1.705 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 14 -ATOM 22362 H HG22 . ILE A 1 97 ? 10.903 -9.916 -0.301 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 14 -ATOM 22363 H HG23 . ILE A 1 97 ? 10.392 -8.234 -0.131 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 14 -ATOM 22364 H HD11 . ILE A 1 97 ? 6.235 -8.686 -0.944 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 14 -ATOM 22365 H HD12 . ILE A 1 97 ? 6.542 -9.309 -2.568 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 14 -ATOM 22366 H HD13 . ILE A 1 97 ? 6.283 -7.581 -2.319 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 14 -ATOM 22367 N N . LEU A 1 98 ? 10.811 -11.892 -2.853 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 14 -ATOM 22368 C CA . LEU A 1 98 ? 11.900 -12.794 -2.839 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 14 -ATOM 22369 C C . LEU A 1 98 ? 13.128 -12.012 -3.228 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 14 -ATOM 22370 O O . LEU A 1 98 ? 13.900 -11.625 -2.348 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 14 -ATOM 22371 C CB . LEU A 1 98 ? 11.633 -13.929 -3.835 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 14 -ATOM 22372 C CG . LEU A 1 98 ? 12.598 -15.104 -3.798 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 14 -ATOM 22373 C CD1 . LEU A 1 98 ? 12.508 -15.811 -2.456 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 14 -ATOM 22374 C CD2 . LEU A 1 98 ? 12.297 -16.070 -4.933 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 14 -ATOM 22375 O OXT . LEU A 1 98 ? 13.260 -11.671 -4.415 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 14 -ATOM 22376 H H . LEU A 1 98 ? 10.672 -11.372 -3.672 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 14 -ATOM 22377 H HA . LEU A 1 98 ? 12.012 -13.199 -1.844 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 14 -ATOM 22378 H HB2 . LEU A 1 98 ? 10.639 -14.309 -3.649 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 14 -ATOM 22379 H HB3 . LEU A 1 98 ? 11.653 -13.508 -4.829 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 14 -ATOM 22380 H HG . LEU A 1 98 ? 13.608 -14.741 -3.917 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 14 -ATOM 22381 H HD11 . LEU A 1 98 ? 12.791 -15.131 -1.666 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 14 -ATOM 22382 H HD12 . LEU A 1 98 ? 13.166 -16.665 -2.449 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 14 -ATOM 22383 H HD13 . LEU A 1 98 ? 11.494 -16.144 -2.296 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 14 -ATOM 22384 H HD21 . LEU A 1 98 ? 12.391 -15.559 -5.879 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 14 -ATOM 22385 H HD22 . LEU A 1 98 ? 11.291 -16.447 -4.829 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 14 -ATOM 22386 H HD23 . LEU A 1 98 ? 12.993 -16.895 -4.899 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 14 -ATOM 22387 N N . MET A 1 4 ? 11.630 14.458 -1.201 1.00 0.00 ? ? ? ? ? ? 1 MET A N 15 -ATOM 22388 C CA . MET A 1 4 ? 11.381 14.016 -2.579 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 15 -ATOM 22389 C C . MET A 1 4 ? 10.097 13.229 -2.618 1.00 0.00 ? ? ? ? ? ? 1 MET A C 15 -ATOM 22390 O O . MET A 1 4 ? 9.775 12.536 -1.658 1.00 0.00 ? ? ? ? ? ? 1 MET A O 15 -ATOM 22391 C CB . MET A 1 4 ? 12.540 13.136 -3.084 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 15 -ATOM 22392 C CG . MET A 1 4 ? 12.388 12.636 -4.522 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 15 -ATOM 22393 S SD . MET A 1 4 ? 13.757 11.584 -5.065 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 15 -ATOM 22394 C CE . MET A 1 4 ? 13.628 10.223 -3.907 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 15 -ATOM 22395 H H . MET A 1 4 ? 11.691 13.640 -0.565 1.00 0.00 ? ? ? ? ? ? 1 MET A H 15 -ATOM 22396 H HA . MET A 1 4 ? 11.288 14.890 -3.207 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 15 -ATOM 22397 H HB2 . MET A 1 4 ? 13.455 13.704 -3.028 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 15 -ATOM 22398 H HB3 . MET A 1 4 ? 12.613 12.277 -2.434 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 15 -ATOM 22399 H HG2 . MET A 1 4 ? 11.472 12.069 -4.596 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 15 -ATOM 22400 H HG3 . MET A 1 4 ? 12.332 13.491 -5.179 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 15 -ATOM 22401 H HE1 . MET A 1 4 ? 13.805 10.577 -2.903 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 15 -ATOM 22402 H HE2 . MET A 1 4 ? 14.353 9.463 -4.158 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 15 -ATOM 22403 H HE3 . MET A 1 4 ? 12.635 9.803 -3.966 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 15 -ATOM 22404 N N . ALA A 1 5 ? 9.368 13.343 -3.705 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 15 -ATOM 22405 C CA . ALA A 1 5 ? 8.139 12.611 -3.882 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 15 -ATOM 22406 C C . ALA A 1 5 ? 8.409 11.385 -4.724 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 15 -ATOM 22407 O O . ALA A 1 5 ? 9.031 11.471 -5.785 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 15 -ATOM 22408 C CB . ALA A 1 5 ? 7.068 13.480 -4.529 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 15 -ATOM 22409 H H . ALA A 1 5 ? 9.682 13.920 -4.435 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 15 -ATOM 22410 H HA . ALA A 1 5 ? 7.794 12.293 -2.909 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 15 -ATOM 22411 H HB1 . ALA A 1 5 ? 6.884 14.350 -3.914 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 15 -ATOM 22412 H HB2 . ALA A 1 5 ? 6.157 12.906 -4.625 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 15 -ATOM 22413 H HB3 . ALA A 1 5 ? 7.400 13.791 -5.508 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 15 -ATOM 22414 N N . TYR A 1 6 ? 7.977 10.266 -4.245 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 15 -ATOM 22415 C CA . TYR A 1 6 ? 8.186 9.000 -4.912 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 15 -ATOM 22416 C C . TYR A 1 6 ? 7.011 8.699 -5.845 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 15 -ATOM 22417 O O . TYR A 1 6 ? 6.023 9.443 -5.875 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 15 -ATOM 22418 C CB . TYR A 1 6 ? 8.365 7.874 -3.867 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 15 -ATOM 22419 C CG . TYR A 1 6 ? 9.607 8.010 -2.971 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 15 -ATOM 22420 C CD1 . TYR A 1 6 ? 9.771 9.104 -2.126 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 15 -ATOM 22421 C CD2 . TYR A 1 6 ? 10.596 7.031 -2.958 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 15 -ATOM 22422 C CE1 . TYR A 1 6 ? 10.867 9.224 -1.303 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 15 -ATOM 22423 C CE2 . TYR A 1 6 ? 11.706 7.148 -2.131 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 15 -ATOM 22424 C CZ . TYR A 1 6 ? 11.832 8.251 -1.307 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 15 -ATOM 22425 O OH . TYR A 1 6 ? 12.925 8.376 -0.473 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 15 -ATOM 22426 H H . TYR A 1 6 ? 7.485 10.290 -3.394 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 15 -ATOM 22427 H HA . TYR A 1 6 ? 9.089 9.078 -5.500 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 15 -ATOM 22428 H HB2 . TYR A 1 6 ? 7.500 7.855 -3.220 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 15 -ATOM 22429 H HB3 . TYR A 1 6 ? 8.431 6.929 -4.386 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 15 -ATOM 22430 H HD1 . TYR A 1 6 ? 9.015 9.875 -2.120 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 15 -ATOM 22431 H HD2 . TYR A 1 6 ? 10.491 6.172 -3.604 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 15 -ATOM 22432 H HE1 . TYR A 1 6 ? 10.966 10.084 -0.659 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 15 -ATOM 22433 H HE2 . TYR A 1 6 ? 12.466 6.381 -2.135 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 15 -ATOM 22434 H HH . TYR A 1 6 ? 13.714 8.093 -0.944 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 15 -ATOM 22435 N N . PHE A 1 7 ? 7.130 7.648 -6.613 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 15 -ATOM 22436 C CA . PHE A 1 7 ? 6.079 7.221 -7.526 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 15 -ATOM 22437 C C . PHE A 1 7 ? 5.244 6.137 -6.872 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 15 -ATOM 22438 O O . PHE A 1 7 ? 5.667 5.563 -5.896 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 15 -ATOM 22439 C CB . PHE A 1 7 ? 6.693 6.730 -8.842 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 15 -ATOM 22440 C CG . PHE A 1 7 ? 7.380 7.826 -9.604 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 15 -ATOM 22441 C CD1 . PHE A 1 7 ? 6.651 8.676 -10.419 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 15 -ATOM 22442 C CD2 . PHE A 1 7 ? 8.748 8.020 -9.493 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 15 -ATOM 22443 C CE1 . PHE A 1 7 ? 7.271 9.697 -11.108 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 15 -ATOM 22444 C CE2 . PHE A 1 7 ? 9.374 9.037 -10.180 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 15 -ATOM 22445 C CZ . PHE A 1 7 ? 8.633 9.879 -10.987 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 15 -ATOM 22446 H H . PHE A 1 7 ? 7.961 7.122 -6.571 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 15 -ATOM 22447 H HA . PHE A 1 7 ? 5.449 8.076 -7.724 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 15 -ATOM 22448 H HB2 . PHE A 1 7 ? 7.439 5.985 -8.603 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 15 -ATOM 22449 H HB3 . PHE A 1 7 ? 5.942 6.280 -9.473 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 15 -ATOM 22450 H HD1 . PHE A 1 7 ? 5.585 8.535 -10.514 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 15 -ATOM 22451 H HD2 . PHE A 1 7 ? 9.326 7.362 -8.861 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 15 -ATOM 22452 H HE1 . PHE A 1 7 ? 6.692 10.353 -11.741 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 15 -ATOM 22453 H HE2 . PHE A 1 7 ? 10.440 9.179 -10.085 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 15 -ATOM 22454 H HZ . PHE A 1 7 ? 9.117 10.681 -11.525 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 15 -ATOM 22455 N N . LEU A 1 8 ? 4.065 5.877 -7.381 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 15 -ATOM 22456 C CA . LEU A 1 8 ? 3.190 4.876 -6.787 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 15 -ATOM 22457 C C . LEU A 1 8 ? 2.769 3.881 -7.874 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 15 -ATOM 22458 O O . LEU A 1 8 ? 2.471 4.293 -9.000 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 15 -ATOM 22459 C CB . LEU A 1 8 ? 1.948 5.597 -6.172 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 15 -ATOM 22460 C CG . LEU A 1 8 ? 1.073 4.843 -5.123 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 15 -ATOM 22461 C CD1 . LEU A 1 8 ? 0.372 3.629 -5.687 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 15 -ATOM 22462 C CD2 . LEU A 1 8 ? 1.888 4.459 -3.908 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 15 -ATOM 22463 H H . LEU A 1 8 ? 3.754 6.333 -8.191 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 15 -ATOM 22464 H HA . LEU A 1 8 ? 3.730 4.361 -6.008 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 15 -ATOM 22465 H HB2 . LEU A 1 8 ? 2.299 6.504 -5.707 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 15 -ATOM 22466 H HB3 . LEU A 1 8 ? 1.309 5.882 -6.995 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 15 -ATOM 22467 H HG . LEU A 1 8 ? 0.299 5.520 -4.794 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 15 -ATOM 22468 H HD11 . LEU A 1 8 ? 1.108 2.967 -6.119 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 15 -ATOM 22469 H HD12 . LEU A 1 8 ? -0.347 3.927 -6.435 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 15 -ATOM 22470 H HD13 . LEU A 1 8 ? -0.125 3.114 -4.878 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 15 -ATOM 22471 H HD21 . LEU A 1 8 ? 1.259 3.918 -3.217 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 15 -ATOM 22472 H HD22 . LEU A 1 8 ? 2.268 5.346 -3.424 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 15 -ATOM 22473 H HD23 . LEU A 1 8 ? 2.709 3.826 -4.210 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 15 -ATOM 22474 N N . ASP A 1 9 ? 2.782 2.596 -7.559 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 15 -ATOM 22475 C CA . ASP A 1 9 ? 2.278 1.567 -8.471 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 15 -ATOM 22476 C C . ASP A 1 9 ? 1.540 0.501 -7.679 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 15 -ATOM 22477 O O . ASP A 1 9 ? 1.813 0.300 -6.487 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 15 -ATOM 22478 C CB . ASP A 1 9 ? 3.396 0.930 -9.306 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 15 -ATOM 22479 C CG . ASP A 1 9 ? 2.881 -0.095 -10.316 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 15 -ATOM 22480 O OD1 . ASP A 1 9 ? 2.146 0.285 -11.270 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 15 -ATOM 22481 O OD2 . ASP A 1 9 ? 3.207 -1.278 -10.190 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 15 -ATOM 22482 H H . ASP A 1 9 ? 3.136 2.310 -6.685 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 15 -ATOM 22483 H HA . ASP A 1 9 ? 1.572 2.056 -9.124 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 15 -ATOM 22484 H HB2 . ASP A 1 9 ? 3.969 1.684 -9.824 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 15 -ATOM 22485 H HB3 . ASP A 1 9 ? 4.024 0.403 -8.608 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 15 -ATOM 22486 N N . PHE A 1 10 ? 0.622 -0.166 -8.320 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 15 -ATOM 22487 C CA . PHE A 1 10 ? -0.194 -1.175 -7.676 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 15 -ATOM 22488 C C . PHE A 1 10 ? 0.110 -2.544 -8.245 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 15 -ATOM 22489 O O . PHE A 1 10 ? 0.091 -2.737 -9.476 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 15 -ATOM 22490 C CB . PHE A 1 10 ? -1.685 -0.894 -7.877 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 15 -ATOM 22491 C CG . PHE A 1 10 ? -2.177 0.416 -7.344 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 15 -ATOM 22492 C CD1 . PHE A 1 10 ? -2.571 0.540 -6.029 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 15 -ATOM 22493 C CD2 . PHE A 1 10 ? -2.266 1.520 -8.174 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 15 -ATOM 22494 C CE1 . PHE A 1 10 ? -3.041 1.741 -5.546 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 15 -ATOM 22495 C CE2 . PHE A 1 10 ? -2.733 2.726 -7.698 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 15 -ATOM 22496 C CZ . PHE A 1 10 ? -3.123 2.837 -6.383 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 15 -ATOM 22497 H H . PHE A 1 10 ? 0.527 0.009 -9.278 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 15 -ATOM 22498 H HA . PHE A 1 10 ? 0.020 -1.166 -6.618 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 15 -ATOM 22499 H HB2 . PHE A 1 10 ? -1.898 -0.910 -8.935 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 15 -ATOM 22500 H HB3 . PHE A 1 10 ? -2.252 -1.683 -7.403 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 15 -ATOM 22501 H HD1 . PHE A 1 10 ? -2.505 -0.317 -5.374 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 15 -ATOM 22502 H HD2 . PHE A 1 10 ? -1.957 1.426 -9.203 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 15 -ATOM 22503 H HE1 . PHE A 1 10 ? -3.347 1.828 -4.514 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 15 -ATOM 22504 H HE2 . PHE A 1 10 ? -2.795 3.582 -8.356 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 15 -ATOM 22505 H HZ . PHE A 1 10 ? -3.492 3.780 -6.004 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 15 -ATOM 22506 N N . ASP A 1 11 ? 0.379 -3.471 -7.365 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 15 -ATOM 22507 C CA . ASP A 1 11 ? 0.623 -4.863 -7.714 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 15 -ATOM 22508 C C . ASP A 1 11 ? -0.637 -5.527 -8.243 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 15 -ATOM 22509 O O . ASP A 1 11 ? -1.741 -5.079 -7.952 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 15 -ATOM 22510 C CB . ASP A 1 11 ? 1.139 -5.654 -6.514 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 15 -ATOM 22511 C CG . ASP A 1 11 ? 1.331 -7.100 -6.855 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 15 -ATOM 22512 O OD1 . ASP A 1 11 ? 2.133 -7.397 -7.751 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 15 -ATOM 22513 O OD2 . ASP A 1 11 ? 0.648 -7.964 -6.284 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 15 -ATOM 22514 H H . ASP A 1 11 ? 0.431 -3.235 -6.412 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 15 -ATOM 22515 H HA . ASP A 1 11 ? 1.377 -4.882 -8.488 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 15 -ATOM 22516 H HB2 . ASP A 1 11 ? 2.086 -5.245 -6.194 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 15 -ATOM 22517 H HB3 . ASP A 1 11 ? 0.427 -5.581 -5.705 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 15 -ATOM 22518 N N . GLU A 1 12 ? -0.458 -6.583 -9.015 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 15 -ATOM 22519 C CA . GLU A 1 12 ? -1.534 -7.372 -9.574 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 15 -ATOM 22520 C C . GLU A 1 12 ? -2.522 -7.838 -8.475 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 15 -ATOM 22521 O O . GLU A 1 12 ? -3.735 -7.805 -8.685 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 15 -ATOM 22522 C CB . GLU A 1 12 ? -0.939 -8.588 -10.302 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 15 -ATOM 22523 C CG . GLU A 1 12 ? 0.032 -9.394 -9.444 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 15 -ATOM 22524 C CD . GLU A 1 12 ? 0.545 -10.632 -10.110 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 15 -ATOM 22525 O OE1 . GLU A 1 12 ? 1.544 -10.560 -10.869 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 15 -ATOM 22526 O OE2 . GLU A 1 12 ? -0.007 -11.711 -9.855 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 15 -ATOM 22527 H H . GLU A 1 12 ? 0.471 -6.860 -9.180 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 15 -ATOM 22528 H HA . GLU A 1 12 ? -2.064 -6.767 -10.293 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 15 -ATOM 22529 H HB2 . GLU A 1 12 ? -1.745 -9.241 -10.602 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 15 -ATOM 22530 H HB3 . GLU A 1 12 ? -0.411 -8.248 -11.181 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 15 -ATOM 22531 H HG2 . GLU A 1 12 ? 0.879 -8.771 -9.200 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 15 -ATOM 22532 H HG3 . GLU A 1 12 ? -0.476 -9.673 -8.532 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 15 -ATOM 22533 N N . ARG A 1 13 ? -2.010 -8.215 -7.286 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 15 -ATOM 22534 C CA . ARG A 1 13 ? -2.885 -8.642 -6.200 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 15 -ATOM 22535 C C . ARG A 1 13 ? -3.617 -7.456 -5.628 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 15 -ATOM 22536 O O . ARG A 1 13 ? -4.825 -7.511 -5.371 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 15 -ATOM 22537 C CB . ARG A 1 13 ? -2.130 -9.366 -5.086 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 15 -ATOM 22538 C CG . ARG A 1 13 ? -1.455 -10.648 -5.520 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 15 -ATOM 22539 C CD . ARG A 1 13 ? -0.846 -11.366 -4.333 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 15 -ATOM 22540 N NE . ARG A 1 13 ? -0.145 -12.584 -4.741 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 15 -ATOM 22541 C CZ . ARG A 1 13 ? -0.022 -13.687 -4.001 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 15 -ATOM 22542 N NH1 . ARG A 1 13 ? -0.725 -13.834 -2.883 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 15 -ATOM 22543 N NH2 . ARG A 1 13 ? 0.734 -14.682 -4.432 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 15 -ATOM 22544 H H . ARG A 1 13 ? -1.034 -8.193 -7.132 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 15 -ATOM 22545 H HA . ARG A 1 13 ? -3.606 -9.316 -6.634 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 15 -ATOM 22546 H HB2 . ARG A 1 13 ? -1.369 -8.704 -4.701 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 15 -ATOM 22547 H HB3 . ARG A 1 13 ? -2.826 -9.599 -4.293 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 15 -ATOM 22548 H HG2 . ARG A 1 13 ? -2.187 -11.295 -5.981 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 15 -ATOM 22549 H HG3 . ARG A 1 13 ? -0.677 -10.416 -6.232 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 15 -ATOM 22550 H HD2 . ARG A 1 13 ? -0.144 -10.705 -3.847 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 15 -ATOM 22551 H HD3 . ARG A 1 13 ? -1.634 -11.630 -3.641 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 15 -ATOM 22552 H HE . ARG A 1 13 ? 0.277 -12.526 -5.628 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 15 -ATOM 22553 H HH11 . ARG A 1 13 ? -1.385 -13.141 -2.552 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 15 -ATOM 22554 H HH12 . ARG A 1 13 ? -0.654 -14.642 -2.292 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 15 -ATOM 22555 H HH21 . ARG A 1 13 ? 1.224 -14.649 -5.309 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 15 -ATOM 22556 H HH22 . ARG A 1 13 ? 0.850 -15.527 -3.903 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 15 -ATOM 22557 N N . ALA A 1 14 ? -2.887 -6.371 -5.472 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 15 -ATOM 22558 C CA . ALA A 1 14 ? -3.433 -5.138 -4.950 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 15 -ATOM 22559 C C . ALA A 1 14 ? -4.514 -4.604 -5.870 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 15 -ATOM 22560 O O . ALA A 1 14 ? -5.501 -4.075 -5.414 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 15 -ATOM 22561 C CB . ALA A 1 14 ? -2.339 -4.102 -4.766 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 15 -ATOM 22562 H H . ALA A 1 14 ? -1.938 -6.414 -5.719 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 15 -ATOM 22563 H HA . ALA A 1 14 ? -3.869 -5.351 -3.985 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 15 -ATOM 22564 H HB1 . ALA A 1 14 ? -1.579 -4.492 -4.104 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 15 -ATOM 22565 H HB2 . ALA A 1 14 ? -2.761 -3.203 -4.342 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 15 -ATOM 22566 H HB3 . ALA A 1 14 ? -1.896 -3.874 -5.723 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 15 -ATOM 22567 N N . LEU A 1 15 ? -4.335 -4.795 -7.165 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 15 -ATOM 22568 C CA . LEU A 1 15 ? -5.282 -4.331 -8.155 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 15 -ATOM 22569 C C . LEU A 1 15 ? -6.586 -5.061 -8.062 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 15 -ATOM 22570 O O . LEU A 1 15 ? -7.645 -4.456 -8.225 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 15 -ATOM 22571 C CB . LEU A 1 15 ? -4.718 -4.447 -9.561 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 15 -ATOM 22572 C CG . LEU A 1 15 ? -3.690 -3.396 -9.969 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 15 -ATOM 22573 C CD1 . LEU A 1 15 ? -3.125 -3.730 -11.325 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 15 -ATOM 22574 C CD2 . LEU A 1 15 ? -4.335 -2.016 -10.007 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 15 -ATOM 22575 H H . LEU A 1 15 ? -3.530 -5.270 -7.473 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 15 -ATOM 22576 H HA . LEU A 1 15 ? -5.470 -3.289 -7.950 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 15 -ATOM 22577 H HB2 . LEU A 1 15 ? -4.254 -5.419 -9.646 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 15 -ATOM 22578 H HB3 . LEU A 1 15 ? -5.544 -4.411 -10.253 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 15 -ATOM 22579 H HG . LEU A 1 15 ? -2.883 -3.374 -9.251 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 15 -ATOM 22580 H HD11 . LEU A 1 15 ? -2.405 -2.978 -11.612 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 15 -ATOM 22581 H HD12 . LEU A 1 15 ? -3.926 -3.759 -12.050 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 15 -ATOM 22582 H HD13 . LEU A 1 15 ? -2.642 -4.694 -11.284 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 15 -ATOM 22583 H HD21 . LEU A 1 15 ? -5.166 -2.033 -10.699 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 15 -ATOM 22584 H HD22 . LEU A 1 15 ? -3.608 -1.293 -10.345 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 15 -ATOM 22585 H HD23 . LEU A 1 15 ? -4.686 -1.738 -9.025 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 15 -ATOM 22586 N N . LYS A 1 16 ? -6.522 -6.348 -7.781 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 15 -ATOM 22587 C CA . LYS A 1 16 ? -7.725 -7.145 -7.665 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 15 -ATOM 22588 C C . LYS A 1 16 ? -8.566 -6.613 -6.520 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 15 -ATOM 22589 O O . LYS A 1 16 ? -9.756 -6.333 -6.688 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 15 -ATOM 22590 C CB . LYS A 1 16 ? -7.351 -8.582 -7.334 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 15 -ATOM 22591 C CG . LYS A 1 16 ? -6.493 -9.284 -8.355 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 15 -ATOM 22592 C CD . LYS A 1 16 ? -5.882 -10.525 -7.738 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 15 -ATOM 22593 C CE . LYS A 1 16 ? -5.031 -11.306 -8.726 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 15 -ATOM 22594 N NZ . LYS A 1 16 ? -5.836 -11.968 -9.771 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 15 -ATOM 22595 H H . LYS A 1 16 ? -5.641 -6.760 -7.649 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 15 -ATOM 22596 H HA . LYS A 1 16 ? -8.271 -7.123 -8.597 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 15 -ATOM 22597 H HB2 . LYS A 1 16 ? -6.821 -8.594 -6.394 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 15 -ATOM 22598 H HB3 . LYS A 1 16 ? -8.264 -9.146 -7.218 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 15 -ATOM 22599 H HG2 . LYS A 1 16 ? -7.102 -9.562 -9.201 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 15 -ATOM 22600 H HG3 . LYS A 1 16 ? -5.702 -8.622 -8.671 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 15 -ATOM 22601 H HD2 . LYS A 1 16 ? -5.264 -10.201 -6.915 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 15 -ATOM 22602 H HD3 . LYS A 1 16 ? -6.674 -11.156 -7.360 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 15 -ATOM 22603 H HE2 . LYS A 1 16 ? -4.344 -10.622 -9.201 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 15 -ATOM 22604 H HE3 . LYS A 1 16 ? -4.470 -12.053 -8.183 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 15 -ATOM 22605 H HZ1 . LYS A 1 16 ? -6.453 -11.308 -10.286 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 15 -ATOM 22606 H HZ2 . LYS A 1 16 ? -6.432 -12.711 -9.352 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 15 -ATOM 22607 H HZ3 . LYS A 1 16 ? -5.212 -12.435 -10.460 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 15 -ATOM 22608 N N . GLU A 1 17 ? -7.909 -6.375 -5.398 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 15 -ATOM 22609 C CA . GLU A 1 17 ? -8.563 -5.877 -4.218 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 15 -ATOM 22610 C C . GLU A 1 17 ? -9.003 -4.419 -4.379 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 15 -ATOM 22611 O O . GLU A 1 17 ? -10.065 -4.043 -3.945 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 15 -ATOM 22612 C CB . GLU A 1 17 ? -7.672 -6.060 -3.012 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 15 -ATOM 22613 C CG . GLU A 1 17 ? -7.205 -7.498 -2.818 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 15 -ATOM 22614 C CD . GLU A 1 17 ? -8.342 -8.501 -2.710 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 15 -ATOM 22615 O OE1 . GLU A 1 17 ? -8.986 -8.607 -1.637 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 15 -ATOM 22616 O OE2 . GLU A 1 17 ? -8.595 -9.230 -3.681 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 15 -ATOM 22617 H H . GLU A 1 17 ? -6.948 -6.577 -5.341 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 15 -ATOM 22618 H HA . GLU A 1 17 ? -9.445 -6.484 -4.082 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 15 -ATOM 22619 H HB2 . GLU A 1 17 ? -6.800 -5.435 -3.128 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 15 -ATOM 22620 H HB3 . GLU A 1 17 ? -8.210 -5.757 -2.126 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 15 -ATOM 22621 H HG2 . GLU A 1 17 ? -6.600 -7.766 -3.672 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 15 -ATOM 22622 H HG3 . GLU A 1 17 ? -6.595 -7.545 -1.931 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 15 -ATOM 22623 N N . TRP A 1 18 ? -8.178 -3.626 -5.027 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 15 -ATOM 22624 C CA . TRP A 1 18 ? -8.448 -2.204 -5.278 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 15 -ATOM 22625 C C . TRP A 1 18 ? -9.725 -2.044 -6.117 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 15 -ATOM 22626 O O . TRP A 1 18 ? -10.572 -1.187 -5.845 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 15 -ATOM 22627 C CB . TRP A 1 18 ? -7.236 -1.600 -6.012 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 15 -ATOM 22628 C CG . TRP A 1 18 ? -7.294 -0.132 -6.283 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 15 -ATOM 22629 C CD1 . TRP A 1 18 ? -7.720 0.477 -7.427 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 15 -ATOM 22630 C CD2 . TRP A 1 18 ? -6.877 0.911 -5.403 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 15 -ATOM 22631 N NE1 . TRP A 1 18 ? -7.604 1.834 -7.304 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 15 -ATOM 22632 C CE2 . TRP A 1 18 ? -7.085 2.130 -6.073 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 15 -ATOM 22633 C CE3 . TRP A 1 18 ? -6.350 0.934 -4.110 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 15 -ATOM 22634 C CZ2 . TRP A 1 18 ? -6.783 3.358 -5.494 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 15 -ATOM 22635 C CZ3 . TRP A 1 18 ? -6.051 2.151 -3.537 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 15 -ATOM 22636 C CH2 . TRP A 1 18 ? -6.267 3.346 -4.228 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 15 -ATOM 22637 H H . TRP A 1 18 ? -7.318 -3.998 -5.330 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 15 -ATOM 22638 H HA . TRP A 1 18 ? -8.576 -1.703 -4.330 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 15 -ATOM 22639 H HB2 . TRP A 1 18 ? -6.352 -1.773 -5.417 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 15 -ATOM 22640 H HB3 . TRP A 1 18 ? -7.120 -2.113 -6.955 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 15 -ATOM 22641 H HD1 . TRP A 1 18 ? -8.096 -0.049 -8.292 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 15 -ATOM 22642 H HE1 . TRP A 1 18 ? -7.852 2.486 -7.997 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 15 -ATOM 22643 H HE3 . TRP A 1 18 ? -6.178 0.019 -3.562 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 15 -ATOM 22644 H HZ2 . TRP A 1 18 ? -6.944 4.290 -6.015 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 15 -ATOM 22645 H HZ3 . TRP A 1 18 ? -5.640 2.187 -2.539 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 15 -ATOM 22646 H HH2 . TRP A 1 18 ? -6.014 4.274 -3.737 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 15 -ATOM 22647 N N . ARG A 1 19 ? -9.854 -2.876 -7.126 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 15 -ATOM 22648 C CA . ARG A 1 19 ? -11.026 -2.875 -8.000 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 15 -ATOM 22649 C C . ARG A 1 19 ? -12.236 -3.516 -7.305 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 15 -ATOM 22650 O O . ARG A 1 19 ? -13.373 -3.310 -7.693 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 15 -ATOM 22651 C CB . ARG A 1 19 ? -10.690 -3.559 -9.316 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 15 -ATOM 22652 C CG . ARG A 1 19 ? -9.576 -2.851 -10.072 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 15 -ATOM 22653 C CD . ARG A 1 19 ? -9.132 -3.634 -11.280 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 15 -ATOM 22654 N NE . ARG A 1 19 ? -8.025 -2.975 -11.984 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 15 -ATOM 22655 C CZ . ARG A 1 19 ? -7.310 -3.520 -12.972 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 15 -ATOM 22656 N NH1 . ARG A 1 19 ? -7.541 -4.767 -13.350 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 15 -ATOM 22657 N NH2 . ARG A 1 19 ? -6.360 -2.814 -13.565 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 15 -ATOM 22658 H H . ARG A 1 19 ? -9.125 -3.517 -7.292 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 15 -ATOM 22659 H HA . ARG A 1 19 ? -11.269 -1.839 -8.194 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 15 -ATOM 22660 H HB2 . ARG A 1 19 ? -10.379 -4.573 -9.111 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 15 -ATOM 22661 H HB3 . ARG A 1 19 ? -11.572 -3.575 -9.941 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 15 -ATOM 22662 H HG2 . ARG A 1 19 ? -9.933 -1.886 -10.398 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 15 -ATOM 22663 H HG3 . ARG A 1 19 ? -8.735 -2.719 -9.407 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 15 -ATOM 22664 H HD2 . ARG A 1 19 ? -8.816 -4.617 -10.964 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 15 -ATOM 22665 H HD3 . ARG A 1 19 ? -9.972 -3.722 -11.950 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 15 -ATOM 22666 H HE . ARG A 1 19 ? -7.825 -2.055 -11.693 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 15 -ATOM 22667 H HH11 . ARG A 1 19 ? -8.249 -5.335 -12.925 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 15 -ATOM 22668 H HH12 . ARG A 1 19 ? -7.013 -5.208 -14.083 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 15 -ATOM 22669 H HH21 . ARG A 1 19 ? -6.154 -1.869 -13.295 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 15 -ATOM 22670 H HH22 . ARG A 1 19 ? -5.799 -3.177 -14.316 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 15 -ATOM 22671 N N . LYS A 1 20 ? -11.953 -4.303 -6.302 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 15 -ATOM 22672 C CA . LYS A 1 20 ? -12.948 -4.975 -5.464 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 15 -ATOM 22673 C C . LYS A 1 20 ? -13.474 -3.998 -4.391 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 15 -ATOM 22674 O O . LYS A 1 20 ? -14.585 -4.150 -3.853 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 15 -ATOM 22675 C CB . LYS A 1 20 ? -12.225 -6.162 -4.840 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 15 -ATOM 22676 C CG . LYS A 1 20 ? -12.923 -6.979 -3.788 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 15 -ATOM 22677 C CD . LYS A 1 20 ? -11.955 -8.061 -3.354 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 15 -ATOM 22678 C CE . LYS A 1 20 ? -12.435 -8.870 -2.187 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 15 -ATOM 22679 N NZ . LYS A 1 20 ? -11.421 -9.870 -1.814 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 15 -ATOM 22680 H H . LYS A 1 20 ? -11.008 -4.469 -6.094 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 15 -ATOM 22681 H HA . LYS A 1 20 ? -13.759 -5.331 -6.081 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 15 -ATOM 22682 H HB2 . LYS A 1 20 ? -11.948 -6.843 -5.630 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 15 -ATOM 22683 H HB3 . LYS A 1 20 ? -11.314 -5.772 -4.412 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 15 -ATOM 22684 H HG2 . LYS A 1 20 ? -13.179 -6.347 -2.950 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 15 -ATOM 22685 H HG3 . LYS A 1 20 ? -13.809 -7.440 -4.198 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 15 -ATOM 22686 H HD2 . LYS A 1 20 ? -11.789 -8.734 -4.181 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 15 -ATOM 22687 H HD3 . LYS A 1 20 ? -11.018 -7.591 -3.091 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 15 -ATOM 22688 H HE2 . LYS A 1 20 ? -12.605 -8.208 -1.350 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 15 -ATOM 22689 H HE3 . LYS A 1 20 ? -13.353 -9.375 -2.450 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 15 -ATOM 22690 H HZ1 . LYS A 1 20 ? -11.692 -10.376 -0.949 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 15 -ATOM 22691 H HZ2 . LYS A 1 20 ? -10.492 -9.412 -1.676 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 15 -ATOM 22692 H HZ3 . LYS A 1 20 ? -11.296 -10.570 -2.575 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 15 -ATOM 22693 N N . LEU A 1 21 ? -12.662 -3.013 -4.093 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 15 -ATOM 22694 C CA . LEU A 1 21 ? -12.994 -1.957 -3.161 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 15 -ATOM 22695 C C . LEU A 1 21 ? -13.975 -0.985 -3.772 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 15 -ATOM 22696 O O . LEU A 1 21 ? -14.083 -0.870 -5.006 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 15 -ATOM 22697 C CB . LEU A 1 21 ? -11.733 -1.186 -2.752 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 15 -ATOM 22698 C CG . LEU A 1 21 ? -11.189 -1.413 -1.344 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 15 -ATOM 22699 C CD1 . LEU A 1 21 ? -10.880 -2.877 -1.086 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 15 -ATOM 22700 C CD2 . LEU A 1 21 ? -9.957 -0.568 -1.140 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 15 -ATOM 22701 H H . LEU A 1 21 ? -11.776 -3.010 -4.513 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 15 -ATOM 22702 H HA . LEU A 1 21 ? -13.422 -2.400 -2.275 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 15 -ATOM 22703 H HB2 . LEU A 1 21 ? -10.950 -1.441 -3.451 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 15 -ATOM 22704 H HB3 . LEU A 1 21 ? -11.945 -0.133 -2.862 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 15 -ATOM 22705 H HG . LEU A 1 21 ? -11.926 -1.088 -0.626 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 15 -ATOM 22706 H HD11 . LEU A 1 21 ? -11.787 -3.454 -1.197 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 15 -ATOM 22707 H HD12 . LEU A 1 21 ? -10.500 -2.994 -0.082 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 15 -ATOM 22708 H HD13 . LEU A 1 21 ? -10.144 -3.222 -1.799 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 15 -ATOM 22709 H HD21 . LEU A 1 21 ? -9.204 -0.837 -1.866 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 15 -ATOM 22710 H HD22 . LEU A 1 21 ? -9.575 -0.727 -0.143 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 15 -ATOM 22711 H HD23 . LEU A 1 21 ? -10.226 0.471 -1.263 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 15 -ATOM 22712 N N . GLY A 1 22 ? -14.671 -0.289 -2.921 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 15 -ATOM 22713 C CA . GLY A 1 22 ? -15.580 0.720 -3.348 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 15 -ATOM 22714 C C . GLY A 1 22 ? -14.810 1.926 -3.781 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 15 -ATOM 22715 O O . GLY A 1 22 ? -13.785 2.268 -3.153 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 15 -ATOM 22716 H H . GLY A 1 22 ? -14.543 -0.457 -1.963 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 15 -ATOM 22717 H HA2 . GLY A 1 22 ? -16.157 0.341 -4.178 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 15 -ATOM 22718 H HA3 . GLY A 1 22 ? -16.239 0.993 -2.537 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 15 -ATOM 22719 N N . SER A 1 23 ? -15.272 2.571 -4.828 1.00 0.00 ? ? ? ? ? ? 20 SER A N 15 -ATOM 22720 C CA . SER A 1 23 ? -14.592 3.700 -5.416 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 15 -ATOM 22721 C C . SER A 1 23 ? -14.261 4.821 -4.409 1.00 0.00 ? ? ? ? ? ? 20 SER A C 15 -ATOM 22722 O O . SER A 1 23 ? -13.142 5.308 -4.381 1.00 0.00 ? ? ? ? ? ? 20 SER A O 15 -ATOM 22723 C CB . SER A 1 23 ? -15.374 4.182 -6.635 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 15 -ATOM 22724 O OG . SER A 1 23 ? -16.781 4.037 -6.429 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 15 -ATOM 22725 H H . SER A 1 23 ? -16.122 2.296 -5.237 1.00 0.00 ? ? ? ? ? ? 20 SER A H 15 -ATOM 22726 H HA . SER A 1 23 ? -13.645 3.318 -5.768 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 15 -ATOM 22727 H HB2 . SER A 1 23 ? -15.150 5.222 -6.817 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 15 -ATOM 22728 H HB3 . SER A 1 23 ? -15.089 3.600 -7.498 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 15 -ATOM 22729 H HG . SER A 1 23 ? -17.061 4.662 -5.744 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 15 -ATOM 22730 N N . THR A 1 24 ? -15.185 5.128 -3.532 1.00 0.00 ? ? ? ? ? ? 21 THR A N 15 -ATOM 22731 C CA . THR A 1 24 ? -14.983 6.169 -2.538 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 15 -ATOM 22732 C C . THR A 1 24 ? -13.900 5.749 -1.510 1.00 0.00 ? ? ? ? ? ? 21 THR A C 15 -ATOM 22733 O O . THR A 1 24 ? -13.018 6.559 -1.139 1.00 0.00 ? ? ? ? ? ? 21 THR A O 15 -ATOM 22734 C CB . THR A 1 24 ? -16.322 6.512 -1.828 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 15 -ATOM 22735 O OG1 . THR A 1 24 ? -17.269 6.975 -2.806 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 15 -ATOM 22736 C CG2 . THR A 1 24 ? -16.142 7.591 -0.771 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 15 -ATOM 22737 H H . THR A 1 24 ? -16.020 4.614 -3.554 1.00 0.00 ? ? ? ? ? ? 21 THR A H 15 -ATOM 22738 H HA . THR A 1 24 ? -14.633 7.046 -3.062 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 15 -ATOM 22739 H HB . THR A 1 24 ? -16.705 5.613 -1.366 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 15 -ATOM 22740 H HG1 . THR A 1 24 ? -16.964 6.678 -3.676 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 15 -ATOM 22741 H HG21 . THR A 1 24 ? -15.424 7.263 -0.035 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 15 -ATOM 22742 H HG22 . THR A 1 24 ? -17.088 7.791 -0.289 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 15 -ATOM 22743 H HG23 . THR A 1 24 ? -15.784 8.491 -1.248 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 15 -ATOM 22744 N N . VAL A 1 25 ? -13.931 4.481 -1.099 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 15 -ATOM 22745 C CA . VAL A 1 25 ? -12.979 3.961 -0.125 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 15 -ATOM 22746 C C . VAL A 1 25 ? -11.579 3.959 -0.708 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 15 -ATOM 22747 O O . VAL A 1 25 ? -10.631 4.460 -0.086 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 15 -ATOM 22748 C CB . VAL A 1 25 ? -13.361 2.531 0.336 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 15 -ATOM 22749 C CG1 . VAL A 1 25 ? -12.297 1.950 1.255 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 15 -ATOM 22750 C CG2 . VAL A 1 25 ? -14.696 2.556 1.047 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 15 -ATOM 22751 H H . VAL A 1 25 ? -14.599 3.866 -1.471 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 15 -ATOM 22752 H HA . VAL A 1 25 ? -12.990 4.618 0.732 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 15 -ATOM 22753 H HB . VAL A 1 25 ? -13.454 1.902 -0.537 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 15 -ATOM 22754 H HG11 . VAL A 1 25 ? -11.352 1.910 0.735 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 15 -ATOM 22755 H HG12 . VAL A 1 25 ? -12.584 0.953 1.557 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 15 -ATOM 22756 H HG13 . VAL A 1 25 ? -12.201 2.574 2.130 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 15 -ATOM 22757 H HG21 . VAL A 1 25 ? -14.963 1.554 1.344 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 15 -ATOM 22758 H HG22 . VAL A 1 25 ? -15.445 2.955 0.382 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 15 -ATOM 22759 H HG23 . VAL A 1 25 ? -14.622 3.183 1.923 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 15 -ATOM 22760 N N . ARG A 1 26 ? -11.456 3.461 -1.918 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 15 -ATOM 22761 C CA . ARG A 1 26 ? -10.172 3.430 -2.566 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 15 -ATOM 22762 C C . ARG A 1 26 ? -9.650 4.827 -2.850 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 15 -ATOM 22763 O O . ARG A 1 26 ? -8.468 5.043 -2.792 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 15 -ATOM 22764 C CB . ARG A 1 26 ? -10.124 2.548 -3.800 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 15 -ATOM 22765 C CG . ARG A 1 26 ? -11.139 2.870 -4.856 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 15 -ATOM 22766 C CD . ARG A 1 26 ? -10.806 2.149 -6.123 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 15 -ATOM 22767 N NE . ARG A 1 26 ? -11.775 2.420 -7.178 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 15 -ATOM 22768 C CZ . ARG A 1 26 ? -12.516 1.492 -7.801 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 15 -ATOM 22769 N NH1 . ARG A 1 26 ? -12.411 0.199 -7.474 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 15 -ATOM 22770 N NH2 . ARG A 1 26 ? -13.363 1.860 -8.751 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 15 -ATOM 22771 H H . ARG A 1 26 ? -12.254 3.103 -2.370 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 15 -ATOM 22772 H HA . ARG A 1 26 ? -9.502 3.017 -1.825 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 15 -ATOM 22773 H HB2 . ARG A 1 26 ? -9.145 2.645 -4.246 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 15 -ATOM 22774 H HB3 . ARG A 1 26 ? -10.261 1.521 -3.496 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 15 -ATOM 22775 H HG2 . ARG A 1 26 ? -12.091 2.507 -4.497 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 15 -ATOM 22776 H HG3 . ARG A 1 26 ? -11.219 3.934 -5.025 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 15 -ATOM 22777 H HD2 . ARG A 1 26 ? -9.832 2.514 -6.417 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 15 -ATOM 22778 H HD3 . ARG A 1 26 ? -10.753 1.089 -5.927 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 15 -ATOM 22779 H HE . ARG A 1 26 ? -11.850 3.374 -7.418 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 15 -ATOM 22780 H HH11 . ARG A 1 26 ? -11.784 -0.137 -6.761 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 15 -ATOM 22781 H HH12 . ARG A 1 26 ? -12.972 -0.502 -7.923 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 15 -ATOM 22782 H HH21 . ARG A 1 26 ? -13.464 2.821 -9.022 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 15 -ATOM 22783 H HH22 . ARG A 1 26 ? -13.956 1.209 -9.237 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 15 -ATOM 22784 N N . GLU A 1 27 ? -10.536 5.771 -3.171 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 15 -ATOM 22785 C CA . GLU A 1 27 ? -10.129 7.159 -3.382 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 15 -ATOM 22786 C C . GLU A 1 27 ? -9.448 7.749 -2.165 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 15 -ATOM 22787 O O . GLU A 1 27 ? -8.474 8.482 -2.292 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 15 -ATOM 22788 C CB . GLU A 1 27 ? -11.285 8.048 -3.786 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 15 -ATOM 22789 C CG . GLU A 1 27 ? -11.726 7.873 -5.211 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 15 -ATOM 22790 C CD . GLU A 1 27 ? -12.655 8.954 -5.652 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 15 -ATOM 22791 O OE1 . GLU A 1 27 ? -13.821 8.986 -5.209 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 15 -ATOM 22792 O OE2 . GLU A 1 27 ? -12.226 9.806 -6.451 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 15 -ATOM 22793 H H . GLU A 1 27 ? -11.483 5.530 -3.292 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 15 -ATOM 22794 H HA . GLU A 1 27 ? -9.409 7.150 -4.187 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 15 -ATOM 22795 H HB2 . GLU A 1 27 ? -12.118 7.774 -3.154 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 15 -ATOM 22796 H HB3 . GLU A 1 27 ? -11.046 9.080 -3.591 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 15 -ATOM 22797 H HG2 . GLU A 1 27 ? -10.857 7.883 -5.852 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 15 -ATOM 22798 H HG3 . GLU A 1 27 ? -12.231 6.923 -5.305 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 15 -ATOM 22799 N N . GLN A 1 28 ? -9.938 7.411 -0.994 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 15 -ATOM 22800 C CA . GLN A 1 28 ? -9.360 7.910 0.235 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 15 -ATOM 22801 C C . GLN A 1 28 ? -7.998 7.282 0.463 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 15 -ATOM 22802 O O . GLN A 1 28 ? -7.060 7.954 0.895 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 15 -ATOM 22803 C CB . GLN A 1 28 ? -10.306 7.657 1.383 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 15 -ATOM 22804 C CG . GLN A 1 28 ? -11.575 8.459 1.272 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 15 -ATOM 22805 C CD . GLN A 1 28 ? -12.670 7.926 2.135 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 15 -ATOM 22806 O OE1 . GLN A 1 28 ? -12.823 8.303 3.297 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 15 -ATOM 22807 N NE2 . GLN A 1 28 ? -13.458 7.069 1.560 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 15 -ATOM 22808 H H . GLN A 1 28 ? -10.697 6.789 -0.949 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 15 -ATOM 22809 H HA . GLN A 1 28 ? -9.225 8.975 0.113 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 15 -ATOM 22810 H HB2 . GLN A 1 28 ? -10.567 6.609 1.393 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 15 -ATOM 22811 H HB3 . GLN A 1 28 ? -9.818 7.917 2.311 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 15 -ATOM 22812 H HG2 . GLN A 1 28 ? -11.376 9.481 1.556 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 15 -ATOM 22813 H HG3 . GLN A 1 28 ? -11.903 8.427 0.244 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 15 -ATOM 22814 H HE21 . GLN A 1 28 ? -13.258 6.863 0.615 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 15 -ATOM 22815 H HE22 . GLN A 1 28 ? -14.196 6.660 2.060 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 15 -ATOM 22816 N N . LEU A 1 29 ? -7.884 6.007 0.133 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 15 -ATOM 22817 C CA . LEU A 1 29 ? -6.606 5.317 0.188 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 15 -ATOM 22818 C C . LEU A 1 29 ? -5.645 5.935 -0.820 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 15 -ATOM 22819 O O . LEU A 1 29 ? -4.484 6.173 -0.510 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 15 -ATOM 22820 C CB . LEU A 1 29 ? -6.779 3.816 -0.069 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 15 -ATOM 22821 C CG . LEU A 1 29 ? -7.482 3.018 1.038 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 15 -ATOM 22822 C CD1 . LEU A 1 29 ? -7.751 1.611 0.580 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 15 -ATOM 22823 C CD2 . LEU A 1 29 ? -6.629 2.993 2.300 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 15 -ATOM 22824 H H . LEU A 1 29 ? -8.690 5.520 -0.147 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 15 -ATOM 22825 H HA . LEU A 1 29 ? -6.198 5.467 1.176 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 15 -ATOM 22826 H HB2 . LEU A 1 29 ? -7.344 3.697 -0.982 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 15 -ATOM 22827 H HB3 . LEU A 1 29 ? -5.799 3.385 -0.219 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 15 -ATOM 22828 H HG . LEU A 1 29 ? -8.438 3.459 1.281 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 15 -ATOM 22829 H HD11 . LEU A 1 29 ? -8.386 1.631 -0.294 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 15 -ATOM 22830 H HD12 . LEU A 1 29 ? -8.247 1.068 1.371 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 15 -ATOM 22831 H HD13 . LEU A 1 29 ? -6.819 1.123 0.337 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 15 -ATOM 22832 H HD21 . LEU A 1 29 ? -7.133 2.419 3.064 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 15 -ATOM 22833 H HD22 . LEU A 1 29 ? -6.465 3.999 2.653 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 15 -ATOM 22834 H HD23 . LEU A 1 29 ? -5.677 2.533 2.081 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 15 -ATOM 22835 N N . LYS A 1 30 ? -6.159 6.221 -2.016 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 15 -ATOM 22836 C CA . LYS A 1 30 ? -5.409 6.890 -3.069 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 15 -ATOM 22837 C C . LYS A 1 30 ? -4.870 8.235 -2.575 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 15 -ATOM 22838 O O . LYS A 1 30 ? -3.717 8.554 -2.803 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 15 -ATOM 22839 C CB . LYS A 1 30 ? -6.325 7.144 -4.264 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 15 -ATOM 22840 C CG . LYS A 1 30 ? -5.655 7.866 -5.422 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 15 -ATOM 22841 C CD . LYS A 1 30 ? -6.672 8.460 -6.388 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 15 -ATOM 22842 C CE . LYS A 1 30 ? -7.510 9.541 -5.701 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 15 -ATOM 22843 N NZ . LYS A 1 30 ? -8.402 10.255 -6.636 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 15 -ATOM 22844 H H . LYS A 1 30 ? -7.077 5.928 -2.214 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 15 -ATOM 22845 H HA . LYS A 1 30 ? -4.594 6.257 -3.383 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 15 -ATOM 22846 H HB2 . LYS A 1 30 ? -6.704 6.198 -4.623 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 15 -ATOM 22847 H HB3 . LYS A 1 30 ? -7.153 7.742 -3.916 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 15 -ATOM 22848 H HG2 . LYS A 1 30 ? -5.053 8.666 -5.018 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 15 -ATOM 22849 H HG3 . LYS A 1 30 ? -5.022 7.169 -5.952 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 15 -ATOM 22850 H HD2 . LYS A 1 30 ? -6.146 8.898 -7.225 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 15 -ATOM 22851 H HD3 . LYS A 1 30 ? -7.327 7.676 -6.741 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 15 -ATOM 22852 H HE2 . LYS A 1 30 ? -8.129 9.087 -4.941 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 15 -ATOM 22853 H HE3 . LYS A 1 30 ? -6.832 10.246 -5.240 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 15 -ATOM 22854 H HZ1 . LYS A 1 30 ? -7.843 10.752 -7.357 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 15 -ATOM 22855 H HZ2 . LYS A 1 30 ? -8.944 10.982 -6.129 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 15 -ATOM 22856 H HZ3 . LYS A 1 30 ? -9.065 9.619 -7.121 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 15 -ATOM 22857 N N . LYS A 1 31 ? -5.714 9.001 -1.880 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 15 -ATOM 22858 C CA . LYS A 1 31 ? -5.318 10.303 -1.323 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 15 -ATOM 22859 C C . LYS A 1 31 ? -4.164 10.139 -0.372 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 15 -ATOM 22860 O O . LYS A 1 31 ? -3.208 10.922 -0.395 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 15 -ATOM 22861 C CB . LYS A 1 31 ? -6.478 10.977 -0.604 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 15 -ATOM 22862 C CG . LYS A 1 31 ? -7.592 11.429 -1.511 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 15 -ATOM 22863 C CD . LYS A 1 31 ? -8.743 11.989 -0.708 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 15 -ATOM 22864 C CE . LYS A 1 31 ? -9.822 12.524 -1.613 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 15 -ATOM 22865 N NZ . LYS A 1 31 ? -11.011 12.946 -0.850 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 15 -ATOM 22866 H H . LYS A 1 31 ? -6.634 8.679 -1.757 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 15 -ATOM 22867 H HA . LYS A 1 31 ? -5.001 10.928 -2.145 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 15 -ATOM 22868 H HB2 . LYS A 1 31 ? -6.892 10.281 0.112 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 15 -ATOM 22869 H HB3 . LYS A 1 31 ? -6.101 11.839 -0.073 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 15 -ATOM 22870 H HG2 . LYS A 1 31 ? -7.219 12.192 -2.177 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 15 -ATOM 22871 H HG3 . LYS A 1 31 ? -7.943 10.584 -2.087 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 15 -ATOM 22872 H HD2 . LYS A 1 31 ? -9.160 11.204 -0.094 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 15 -ATOM 22873 H HD3 . LYS A 1 31 ? -8.379 12.786 -0.079 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 15 -ATOM 22874 H HE2 . LYS A 1 31 ? -9.432 13.367 -2.163 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 15 -ATOM 22875 H HE3 . LYS A 1 31 ? -10.100 11.741 -2.302 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 15 -ATOM 22876 H HZ1 . LYS A 1 31 ? -11.464 12.123 -0.402 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 15 -ATOM 22877 H HZ2 . LYS A 1 31 ? -11.704 13.397 -1.475 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 15 -ATOM 22878 H HZ3 . LYS A 1 31 ? -10.762 13.626 -0.105 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 15 -ATOM 22879 N N . LYS A 1 32 ? -4.248 9.101 0.440 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 15 -ATOM 22880 C CA . LYS A 1 32 ? -3.199 8.778 1.377 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 15 -ATOM 22881 C C . LYS A 1 32 ? -1.917 8.398 0.686 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 15 -ATOM 22882 O O . LYS A 1 32 ? -0.834 8.700 1.169 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 15 -ATOM 22883 C CB . LYS A 1 32 ? -3.617 7.727 2.399 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 15 -ATOM 22884 C CG . LYS A 1 32 ? -4.188 8.307 3.687 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 15 -ATOM 22885 C CD . LYS A 1 32 ? -5.460 9.092 3.476 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 15 -ATOM 22886 C CE . LYS A 1 32 ? -5.885 9.769 4.760 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 15 -ATOM 22887 N NZ . LYS A 1 32 ? -4.928 10.824 5.164 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 15 -ATOM 22888 H H . LYS A 1 32 ? -5.052 8.538 0.395 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 15 -ATOM 22889 H HA . LYS A 1 32 ? -3.018 9.703 1.898 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 15 -ATOM 22890 H HB2 . LYS A 1 32 ? -4.362 7.087 1.952 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 15 -ATOM 22891 H HB3 . LYS A 1 32 ? -2.748 7.135 2.646 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 15 -ATOM 22892 H HG2 . LYS A 1 32 ? -4.404 7.500 4.371 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 15 -ATOM 22893 H HG3 . LYS A 1 32 ? -3.445 8.955 4.126 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 15 -ATOM 22894 H HD2 . LYS A 1 32 ? -5.287 9.846 2.722 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 15 -ATOM 22895 H HD3 . LYS A 1 32 ? -6.244 8.424 3.151 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 15 -ATOM 22896 H HE2 . LYS A 1 32 ? -6.879 10.179 4.660 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 15 -ATOM 22897 H HE3 . LYS A 1 32 ? -5.869 8.988 5.509 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 15 -ATOM 22898 H HZ1 . LYS A 1 32 ? -5.287 11.398 5.954 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 15 -ATOM 22899 H HZ2 . LYS A 1 32 ? -4.666 11.450 4.369 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 15 -ATOM 22900 H HZ3 . LYS A 1 32 ? -4.042 10.387 5.480 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 15 -ATOM 22901 N N . LEU A 1 33 ? -2.039 7.751 -0.434 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 15 -ATOM 22902 C CA . LEU A 1 33 ? -0.894 7.396 -1.225 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 15 -ATOM 22903 C C . LEU A 1 33 ? -0.266 8.650 -1.809 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 15 -ATOM 22904 O O . LEU A 1 33 ? 0.940 8.823 -1.757 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 15 -ATOM 22905 C CB . LEU A 1 33 ? -1.293 6.431 -2.332 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 15 -ATOM 22906 C CG . LEU A 1 33 ? -1.914 5.121 -1.864 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 15 -ATOM 22907 C CD1 . LEU A 1 33 ? -2.315 4.270 -3.043 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 15 -ATOM 22908 C CD2 . LEU A 1 33 ? -0.960 4.369 -0.951 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 15 -ATOM 22909 H H . LEU A 1 33 ? -2.936 7.481 -0.731 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 15 -ATOM 22910 H HA . LEU A 1 33 ? -0.184 6.912 -0.575 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 15 -ATOM 22911 H HB2 . LEU A 1 33 ? -1.999 6.935 -2.974 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 15 -ATOM 22912 H HB3 . LEU A 1 33 ? -0.407 6.198 -2.906 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 15 -ATOM 22913 H HG . LEU A 1 33 ? -2.811 5.343 -1.304 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 15 -ATOM 22914 H HD11 . LEU A 1 33 ? -1.439 4.053 -3.634 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 15 -ATOM 22915 H HD12 . LEU A 1 33 ? -3.034 4.803 -3.649 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 15 -ATOM 22916 H HD13 . LEU A 1 33 ? -2.754 3.347 -2.697 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 15 -ATOM 22917 H HD21 . LEU A 1 33 ? -1.401 3.422 -0.682 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 15 -ATOM 22918 H HD22 . LEU A 1 33 ? -0.795 4.950 -0.055 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 15 -ATOM 22919 H HD23 . LEU A 1 33 ? -0.020 4.203 -1.454 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 15 -ATOM 22920 N N . VAL A 1 34 ? -1.108 9.544 -2.313 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 15 -ATOM 22921 C CA . VAL A 1 34 ? -0.656 10.795 -2.914 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 15 -ATOM 22922 C C . VAL A 1 34 ? 0.105 11.651 -1.894 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 15 -ATOM 22923 O O . VAL A 1 34 ? 1.198 12.155 -2.186 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 15 -ATOM 22924 C CB . VAL A 1 34 ? -1.861 11.610 -3.487 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 15 -ATOM 22925 C CG1 . VAL A 1 34 ? -1.417 12.951 -4.051 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 15 -ATOM 22926 C CG2 . VAL A 1 34 ? -2.580 10.815 -4.558 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 15 -ATOM 22927 H H . VAL A 1 34 ? -2.070 9.337 -2.288 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 15 -ATOM 22928 H HA . VAL A 1 34 ? 0.010 10.551 -3.728 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 15 -ATOM 22929 H HB . VAL A 1 34 ? -2.561 11.797 -2.685 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 15 -ATOM 22930 H HG11 . VAL A 1 34 ? -0.958 13.527 -3.262 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 15 -ATOM 22931 H HG12 . VAL A 1 34 ? -2.278 13.478 -4.432 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 15 -ATOM 22932 H HG13 . VAL A 1 34 ? -0.705 12.789 -4.847 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 15 -ATOM 22933 H HG21 . VAL A 1 34 ? -2.952 9.906 -4.105 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 15 -ATOM 22934 H HG22 . VAL A 1 34 ? -1.897 10.574 -5.358 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 15 -ATOM 22935 H HG23 . VAL A 1 34 ? -3.410 11.388 -4.942 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 15 -ATOM 22936 N N . GLU A 1 35 ? -0.448 11.765 -0.693 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 15 -ATOM 22937 C CA . GLU A 1 35 ? 0.184 12.541 0.365 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 15 -ATOM 22938 C C . GLU A 1 35 ? 1.463 11.871 0.870 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 15 -ATOM 22939 O O . GLU A 1 35 ? 2.496 12.524 1.036 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 15 -ATOM 22940 C CB . GLU A 1 35 ? -0.788 12.829 1.527 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 15 -ATOM 22941 C CG . GLU A 1 35 ? -1.364 11.601 2.181 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 15 -ATOM 22942 C CD . GLU A 1 35 ? -2.281 11.901 3.336 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 15 -ATOM 22943 O OE1 . GLU A 1 35 ? -1.803 12.021 4.467 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 15 -ATOM 22944 O OE2 . GLU A 1 35 ? -3.506 12.033 3.142 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 15 -ATOM 22945 H H . GLU A 1 35 ? -1.309 11.320 -0.523 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 15 -ATOM 22946 H HA . GLU A 1 35 ? 0.468 13.481 -0.083 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 15 -ATOM 22947 H HB2 . GLU A 1 35 ? -0.276 13.394 2.292 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 15 -ATOM 22948 H HB3 . GLU A 1 35 ? -1.609 13.422 1.150 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 15 -ATOM 22949 H HG2 . GLU A 1 35 ? -1.913 11.083 1.411 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 15 -ATOM 22950 H HG3 . GLU A 1 35 ? -0.550 10.976 2.522 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 15 -ATOM 22951 N N . VAL A 1 36 ? 1.402 10.560 1.059 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 15 -ATOM 22952 C CA . VAL A 1 36 ? 2.496 9.812 1.630 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 15 -ATOM 22953 C C . VAL A 1 36 ? 3.735 9.848 0.745 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 15 -ATOM 22954 O O . VAL A 1 36 ? 4.822 9.788 1.238 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 15 -ATOM 22955 C CB . VAL A 1 36 ? 2.131 8.357 2.044 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 15 -ATOM 22956 C CG1 . VAL A 1 36 ? 2.170 7.375 0.876 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 15 -ATOM 22957 C CG2 . VAL A 1 36 ? 3.000 7.900 3.202 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 15 -ATOM 22958 H H . VAL A 1 36 ? 0.583 10.074 0.811 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 15 -ATOM 22959 H HA . VAL A 1 36 ? 2.763 10.358 2.526 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 15 -ATOM 22960 H HB . VAL A 1 36 ? 1.108 8.382 2.394 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 15 -ATOM 22961 H HG11 . VAL A 1 36 ? 1.509 7.726 0.098 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 15 -ATOM 22962 H HG12 . VAL A 1 36 ? 1.850 6.397 1.207 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 15 -ATOM 22963 H HG13 . VAL A 1 36 ? 3.177 7.315 0.490 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 15 -ATOM 22964 H HG21 . VAL A 1 36 ? 2.784 6.871 3.445 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 15 -ATOM 22965 H HG22 . VAL A 1 36 ? 2.802 8.523 4.062 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 15 -ATOM 22966 H HG23 . VAL A 1 36 ? 4.033 8.001 2.915 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 15 -ATOM 22967 N N . LEU A 1 37 ? 3.543 9.961 -0.565 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 15 -ATOM 22968 C CA . LEU A 1 37 ? 4.645 9.956 -1.536 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 15 -ATOM 22969 C C . LEU A 1 37 ? 5.718 11.001 -1.244 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 15 -ATOM 22970 O O . LEU A 1 37 ? 6.869 10.812 -1.638 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 15 -ATOM 22971 C CB . LEU A 1 37 ? 4.132 10.147 -2.966 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 15 -ATOM 22972 C CG . LEU A 1 37 ? 3.297 9.014 -3.549 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 15 -ATOM 22973 C CD1 . LEU A 1 37 ? 2.818 9.377 -4.938 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 15 -ATOM 22974 C CD2 . LEU A 1 37 ? 4.096 7.723 -3.581 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 15 -ATOM 22975 H H . LEU A 1 37 ? 2.622 10.032 -0.895 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 15 -ATOM 22976 H HA . LEU A 1 37 ? 5.109 8.985 -1.480 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 15 -ATOM 22977 H HB2 . LEU A 1 37 ? 3.533 11.045 -2.988 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 15 -ATOM 22978 H HB3 . LEU A 1 37 ? 4.988 10.298 -3.608 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 15 -ATOM 22979 H HG . LEU A 1 37 ? 2.427 8.861 -2.927 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 15 -ATOM 22980 H HD11 . LEU A 1 37 ? 2.238 8.566 -5.351 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 15 -ATOM 22981 H HD12 . LEU A 1 37 ? 3.672 9.582 -5.567 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 15 -ATOM 22982 H HD13 . LEU A 1 37 ? 2.204 10.263 -4.876 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 15 -ATOM 22983 H HD21 . LEU A 1 37 ? 3.505 6.942 -4.034 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 15 -ATOM 22984 H HD22 . LEU A 1 37 ? 4.354 7.428 -2.575 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 15 -ATOM 22985 H HD23 . LEU A 1 37 ? 4.997 7.871 -4.158 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 15 -ATOM 22986 N N . GLU A 1 38 ? 5.366 12.092 -0.563 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 15 -ATOM 22987 C CA . GLU A 1 38 ? 6.367 13.109 -0.249 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 15 -ATOM 22988 C C . GLU A 1 38 ? 7.258 12.660 0.923 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 15 -ATOM 22989 O O . GLU A 1 38 ? 8.384 13.131 1.081 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 15 -ATOM 22990 C CB . GLU A 1 38 ? 5.721 14.475 0.026 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 15 -ATOM 22991 C CG . GLU A 1 38 ? 4.813 14.513 1.236 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 15 -ATOM 22992 C CD . GLU A 1 38 ? 4.088 15.816 1.365 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 15 -ATOM 22993 O OE1 . GLU A 1 38 ? 3.004 15.969 0.767 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 15 -ATOM 22994 O OE2 . GLU A 1 38 ? 4.564 16.715 2.074 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 15 -ATOM 22995 H H . GLU A 1 38 ? 4.437 12.206 -0.258 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 15 -ATOM 22996 H HA . GLU A 1 38 ? 7.002 13.190 -1.120 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 15 -ATOM 22997 H HB2 . GLU A 1 38 ? 6.504 15.203 0.172 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 15 -ATOM 22998 H HB3 . GLU A 1 38 ? 5.144 14.760 -0.842 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 15 -ATOM 22999 H HG2 . GLU A 1 38 ? 4.082 13.722 1.152 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 15 -ATOM 23000 H HG3 . GLU A 1 38 ? 5.408 14.358 2.124 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 15 -ATOM 23001 N N . SER A 1 39 ? 6.770 11.723 1.709 1.00 0.00 ? ? ? ? ? ? 36 SER A N 15 -ATOM 23002 C CA . SER A 1 39 ? 7.505 11.198 2.835 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 15 -ATOM 23003 C C . SER A 1 39 ? 7.021 9.775 3.177 1.00 0.00 ? ? ? ? ? ? 36 SER A C 15 -ATOM 23004 O O . SER A 1 39 ? 6.331 9.574 4.166 1.00 0.00 ? ? ? ? ? ? 36 SER A O 15 -ATOM 23005 C CB . SER A 1 39 ? 7.367 12.145 4.044 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 15 -ATOM 23006 O OG . SER A 1 39 ? 5.988 12.372 4.355 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 15 -ATOM 23007 H H . SER A 1 39 ? 5.886 11.336 1.520 1.00 0.00 ? ? ? ? ? ? 36 SER A H 15 -ATOM 23008 H HA . SER A 1 39 ? 8.545 11.138 2.555 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 15 -ATOM 23009 H HB2 . SER A 1 39 ? 7.853 11.706 4.903 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 15 -ATOM 23010 H HB3 . SER A 1 39 ? 7.834 13.091 3.812 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 15 -ATOM 23011 H HG . SER A 1 39 ? 5.579 11.496 4.371 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 15 -ATOM 23012 N N . PRO A 1 40 ? 7.305 8.773 2.318 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 15 -ATOM 23013 C CA . PRO A 1 40 ? 6.842 7.404 2.549 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 15 -ATOM 23014 C C . PRO A 1 40 ? 7.709 6.659 3.545 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 15 -ATOM 23015 O O . PRO A 1 40 ? 7.353 5.602 4.020 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 15 -ATOM 23016 C CB . PRO A 1 40 ? 6.922 6.769 1.164 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 15 -ATOM 23017 C CG . PRO A 1 40 ? 8.045 7.481 0.498 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 15 -ATOM 23018 C CD . PRO A 1 40 ? 8.023 8.894 1.027 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 15 -ATOM 23019 H HA . PRO A 1 40 ? 5.824 7.379 2.905 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 15 -ATOM 23020 H HB2 . PRO A 1 40 ? 7.120 5.712 1.262 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 15 -ATOM 23021 H HB3 . PRO A 1 40 ? 5.991 6.921 0.638 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 15 -ATOM 23022 H HG2 . PRO A 1 40 ? 8.981 7.003 0.748 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 15 -ATOM 23023 H HG3 . PRO A 1 40 ? 7.898 7.480 -0.573 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 15 -ATOM 23024 H HD2 . PRO A 1 40 ? 9.025 9.271 1.171 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 15 -ATOM 23025 H HD3 . PRO A 1 40 ? 7.469 9.530 0.349 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 15 -ATOM 23026 N N . ARG A 1 41 ? 8.816 7.257 3.884 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 15 -ATOM 23027 C CA . ARG A 1 41 ? 9.789 6.676 4.793 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 15 -ATOM 23028 C C . ARG A 1 41 ? 9.511 7.024 6.263 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 15 -ATOM 23029 O O . ARG A 1 41 ? 10.427 7.245 7.039 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 15 -ATOM 23030 C CB . ARG A 1 41 ? 11.229 7.053 4.342 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 15 -ATOM 23031 C CG . ARG A 1 41 ? 11.436 8.508 3.876 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 15 -ATOM 23032 C CD . ARG A 1 41 ? 11.282 9.536 4.985 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 15 -ATOM 23033 N NE . ARG A 1 41 ? 11.366 10.904 4.463 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 15 -ATOM 23034 C CZ . ARG A 1 41 ? 11.329 12.026 5.196 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 15 -ATOM 23035 N NH1 . ARG A 1 41 ? 11.300 11.960 6.529 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 15 -ATOM 23036 N NH2 . ARG A 1 41 ? 11.360 13.211 4.588 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 15 -ATOM 23037 H H . ARG A 1 41 ? 8.961 8.144 3.496 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 15 -ATOM 23038 H HA . ARG A 1 41 ? 9.682 5.605 4.702 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 15 -ATOM 23039 H HB2 . ARG A 1 41 ? 11.899 6.879 5.170 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 15 -ATOM 23040 H HB3 . ARG A 1 41 ? 11.512 6.395 3.532 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 15 -ATOM 23041 H HG2 . ARG A 1 41 ? 12.433 8.600 3.474 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 15 -ATOM 23042 H HG3 . ARG A 1 41 ? 10.725 8.727 3.093 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 15 -ATOM 23043 H HD2 . ARG A 1 41 ? 10.325 9.398 5.465 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 15 -ATOM 23044 H HD3 . ARG A 1 41 ? 12.072 9.386 5.704 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 15 -ATOM 23045 H HE . ARG A 1 41 ? 11.437 10.969 3.481 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 15 -ATOM 23046 H HH11 . ARG A 1 41 ? 11.313 11.094 7.037 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 15 -ATOM 23047 H HH12 . ARG A 1 41 ? 11.261 12.786 7.097 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 15 -ATOM 23048 H HH21 . ARG A 1 41 ? 11.414 13.297 3.587 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 15 -ATOM 23049 H HH22 . ARG A 1 41 ? 11.346 14.083 5.085 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 15 -ATOM 23050 N N . ILE A 1 42 ? 8.245 7.041 6.636 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 15 -ATOM 23051 C CA . ILE A 1 42 ? 7.842 7.321 8.015 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 15 -ATOM 23052 C C . ILE A 1 42 ? 7.922 6.021 8.812 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 15 -ATOM 23053 O O . ILE A 1 42 ? 7.105 5.114 8.610 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 15 -ATOM 23054 C CB . ILE A 1 42 ? 6.397 7.915 8.080 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 15 -ATOM 23055 C CG1 . ILE A 1 42 ? 6.347 9.250 7.320 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 15 -ATOM 23056 C CG2 . ILE A 1 42 ? 5.945 8.110 9.532 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 15 -ATOM 23057 C CD1 . ILE A 1 42 ? 4.970 9.890 7.258 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 15 -ATOM 23058 H H . ILE A 1 42 ? 7.566 6.814 5.967 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 15 -ATOM 23059 H HA . ILE A 1 42 ? 8.545 8.027 8.428 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 15 -ATOM 23060 H HB . ILE A 1 42 ? 5.723 7.218 7.605 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 15 -ATOM 23061 H HG12 . ILE A 1 42 ? 7.006 9.954 7.804 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 15 -ATOM 23062 H HG13 . ILE A 1 42 ? 6.687 9.090 6.307 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 15 -ATOM 23063 H HG21 . ILE A 1 42 ? 5.966 7.162 10.048 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 15 -ATOM 23064 H HG22 . ILE A 1 42 ? 4.940 8.504 9.546 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 15 -ATOM 23065 H HG23 . ILE A 1 42 ? 6.612 8.805 10.021 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 15 -ATOM 23066 H HD11 . ILE A 1 42 ? 5.037 10.818 6.709 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 15 -ATOM 23067 H HD12 . ILE A 1 42 ? 4.618 10.088 8.259 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 15 -ATOM 23068 H HD13 . ILE A 1 42 ? 4.283 9.223 6.756 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 15 -ATOM 23069 N N . GLU A 1 43 ? 8.890 5.937 9.719 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 15 -ATOM 23070 C CA . GLU A 1 43 ? 9.182 4.703 10.434 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 15 -ATOM 23071 C C . GLU A 1 43 ? 8.031 4.174 11.282 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 15 -ATOM 23072 O O . GLU A 1 43 ? 7.910 2.965 11.486 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 15 -ATOM 23073 C CB . GLU A 1 43 ? 10.474 4.787 11.235 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 15 -ATOM 23074 C CG . GLU A 1 43 ? 10.541 5.906 12.244 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 15 -ATOM 23075 C CD . GLU A 1 43 ? 11.826 5.875 13.009 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 15 -ATOM 23076 O OE1 . GLU A 1 43 ? 12.851 6.393 12.500 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 15 -ATOM 23077 O OE2 . GLU A 1 43 ? 11.850 5.304 14.110 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 15 -ATOM 23078 H H . GLU A 1 43 ? 9.422 6.737 9.926 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 15 -ATOM 23079 H HA . GLU A 1 43 ? 9.348 3.993 9.642 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 15 -ATOM 23080 H HB2 . GLU A 1 43 ? 10.605 3.857 11.768 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 15 -ATOM 23081 H HB3 . GLU A 1 43 ? 11.293 4.900 10.541 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 15 -ATOM 23082 H HG2 . GLU A 1 43 ? 10.466 6.853 11.731 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 15 -ATOM 23083 H HG3 . GLU A 1 43 ? 9.720 5.801 12.938 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 15 -ATOM 23084 N N . ALA A 1 44 ? 7.167 5.054 11.729 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 15 -ATOM 23085 C CA . ALA A 1 44 ? 6.011 4.669 12.531 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 15 -ATOM 23086 C C . ALA A 1 44 ? 4.994 3.866 11.711 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 15 -ATOM 23087 O O . ALA A 1 44 ? 4.105 3.233 12.259 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 15 -ATOM 23088 C CB . ALA A 1 44 ? 5.350 5.897 13.132 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 15 -ATOM 23089 H H . ALA A 1 44 ? 7.322 6.007 11.540 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 15 -ATOM 23090 H HA . ALA A 1 44 ? 6.369 4.048 13.340 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 15 -ATOM 23091 H HB1 . ALA A 1 44 ? 4.976 6.527 12.338 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 15 -ATOM 23092 H HB2 . ALA A 1 44 ? 6.072 6.445 13.721 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 15 -ATOM 23093 H HB3 . ALA A 1 44 ? 4.530 5.590 13.763 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 15 -ATOM 23094 N N . ASN A 1 45 ? 5.131 3.890 10.400 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 15 -ATOM 23095 C CA . ASN A 1 45 ? 4.206 3.171 9.539 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 15 -ATOM 23096 C C . ASN A 1 45 ? 4.792 1.863 9.042 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 15 -ATOM 23097 O O . ASN A 1 45 ? 4.105 1.108 8.356 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 15 -ATOM 23098 C CB . ASN A 1 45 ? 3.757 4.031 8.344 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 15 -ATOM 23099 C CG . ASN A 1 45 ? 2.854 5.190 8.713 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 15 -ATOM 23100 O OD1 . ASN A 1 45 ? 2.073 5.127 9.673 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 15 -ATOM 23101 N ND2 . ASN A 1 45 ? 2.941 6.251 7.959 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 15 -ATOM 23102 H H . ASN A 1 45 ? 5.869 4.401 9.998 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 15 -ATOM 23103 H HA . ASN A 1 45 ? 3.333 2.941 10.134 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 15 -ATOM 23104 H HB2 . ASN A 1 45 ? 4.633 4.462 7.884 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 15 -ATOM 23105 H HB3 . ASN A 1 45 ? 3.244 3.407 7.628 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 15 -ATOM 23106 H HD21 . ASN A 1 45 ? 3.577 6.227 7.215 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 15 -ATOM 23107 H HD22 . ASN A 1 45 ? 2.382 7.037 8.140 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 15 -ATOM 23108 N N . LYS A 1 46 ? 6.049 1.589 9.396 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 15 -ATOM 23109 C CA . LYS A 1 46 ? 6.738 0.371 8.933 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 15 -ATOM 23110 C C . LYS A 1 46 ? 6.166 -0.866 9.604 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 15 -ATOM 23111 O O . LYS A 1 46 ? 5.709 -0.812 10.761 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 15 -ATOM 23112 C CB . LYS A 1 46 ? 8.261 0.410 9.202 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 15 -ATOM 23113 C CG . LYS A 1 46 ? 9.002 1.581 8.593 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 15 -ATOM 23114 C CD . LYS A 1 46 ? 10.505 1.523 8.886 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 15 -ATOM 23115 C CE . LYS A 1 46 ? 11.282 0.734 7.826 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 15 -ATOM 23116 N NZ . LYS A 1 46 ? 11.562 1.554 6.613 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 15 -ATOM 23117 H H . LYS A 1 46 ? 6.513 2.204 10.002 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 15 -ATOM 23118 H HA . LYS A 1 46 ? 6.577 0.292 7.867 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 15 -ATOM 23119 H HB2 . LYS A 1 46 ? 8.421 0.460 10.269 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 15 -ATOM 23120 H HB3 . LYS A 1 46 ? 8.700 -0.503 8.830 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 15 -ATOM 23121 H HG2 . LYS A 1 46 ? 8.850 1.556 7.522 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 15 -ATOM 23122 H HG3 . LYS A 1 46 ? 8.571 2.482 8.995 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 15 -ATOM 23123 H HD2 . LYS A 1 46 ? 10.896 2.529 8.918 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 15 -ATOM 23124 H HD3 . LYS A 1 46 ? 10.647 1.051 9.847 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 15 -ATOM 23125 H HE2 . LYS A 1 46 ? 12.222 0.406 8.244 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 15 -ATOM 23126 H HE3 . LYS A 1 46 ? 10.695 -0.123 7.534 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 15 -ATOM 23127 H HZ1 . LYS A 1 46 ? 10.732 2.074 6.257 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 15 -ATOM 23128 H HZ2 . LYS A 1 46 ? 11.903 0.986 5.805 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 15 -ATOM 23129 H HZ3 . LYS A 1 46 ? 12.302 2.258 6.808 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 15 -ATOM 23130 N N . LEU A 1 47 ? 6.150 -1.947 8.876 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 15 -ATOM 23131 C CA . LEU A 1 47 ? 5.754 -3.227 9.404 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 15 -ATOM 23132 C C . LEU A 1 47 ? 6.977 -3.933 9.973 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 15 -ATOM 23133 O O . LEU A 1 47 ? 8.117 -3.560 9.664 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 15 -ATOM 23134 C CB . LEU A 1 47 ? 5.129 -4.103 8.314 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 15 -ATOM 23135 C CG . LEU A 1 47 ? 3.855 -3.583 7.654 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 15 -ATOM 23136 C CD1 . LEU A 1 47 ? 3.361 -4.578 6.628 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 15 -ATOM 23137 C CD2 . LEU A 1 47 ? 2.782 -3.322 8.690 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 15 -ATOM 23138 H H . LEU A 1 47 ? 6.414 -1.877 7.931 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 15 -ATOM 23139 H HA . LEU A 1 47 ? 5.032 -3.065 10.189 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 15 -ATOM 23140 H HB2 . LEU A 1 47 ? 5.868 -4.232 7.538 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 15 -ATOM 23141 H HB3 . LEU A 1 47 ? 4.918 -5.072 8.739 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 15 -ATOM 23142 H HG . LEU A 1 47 ? 4.071 -2.657 7.144 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 15 -ATOM 23143 H HD11 . LEU A 1 47 ? 4.112 -4.716 5.865 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 15 -ATOM 23144 H HD12 . LEU A 1 47 ? 2.451 -4.209 6.181 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 15 -ATOM 23145 H HD13 . LEU A 1 47 ? 3.164 -5.524 7.111 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 15 -ATOM 23146 H HD21 . LEU A 1 47 ? 1.890 -2.978 8.189 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 15 -ATOM 23147 H HD22 . LEU A 1 47 ? 3.129 -2.566 9.377 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 15 -ATOM 23148 H HD23 . LEU A 1 47 ? 2.569 -4.234 9.227 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 15 -ATOM 23149 N N . ARG A 1 48 ? 6.744 -4.942 10.764 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 15 -ATOM 23150 C CA . ARG A 1 48 ? 7.787 -5.703 11.394 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 15 -ATOM 23151 C C . ARG A 1 48 ? 8.161 -6.884 10.524 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 15 -ATOM 23152 O O . ARG A 1 48 ? 7.282 -7.602 10.041 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 15 -ATOM 23153 C CB . ARG A 1 48 ? 7.296 -6.220 12.737 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 15 -ATOM 23154 C CG . ARG A 1 48 ? 6.964 -5.142 13.746 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 15 -ATOM 23155 C CD . ARG A 1 48 ? 6.336 -5.737 14.992 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 15 -ATOM 23156 N NE . ARG A 1 48 ? 7.219 -6.710 15.662 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 15 -ATOM 23157 C CZ . ARG A 1 48 ? 6.806 -7.856 16.234 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 15 -ATOM 23158 N NH1 . ARG A 1 48 ? 5.576 -8.309 16.023 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 15 -ATOM 23159 N NH2 . ARG A 1 48 ? 7.659 -8.582 16.938 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 15 -ATOM 23160 H H . ARG A 1 48 ? 5.820 -5.217 10.940 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 15 -ATOM 23161 H HA . ARG A 1 48 ? 8.647 -5.070 11.557 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 15 -ATOM 23162 H HB2 . ARG A 1 48 ? 6.407 -6.808 12.569 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 15 -ATOM 23163 H HB3 . ARG A 1 48 ? 8.057 -6.859 13.153 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 15 -ATOM 23164 H HG2 . ARG A 1 48 ? 7.876 -4.636 14.024 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 15 -ATOM 23165 H HG3 . ARG A 1 48 ? 6.278 -4.439 13.300 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 15 -ATOM 23166 H HD2 . ARG A 1 48 ? 6.113 -4.937 15.682 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 15 -ATOM 23167 H HD3 . ARG A 1 48 ? 5.417 -6.229 14.713 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 15 -ATOM 23168 H HE . ARG A 1 48 ? 8.163 -6.434 15.720 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 15 -ATOM 23169 H HH11 . ARG A 1 48 ? 4.921 -7.832 15.428 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 15 -ATOM 23170 H HH12 . ARG A 1 48 ? 5.232 -9.148 16.454 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 15 -ATOM 23171 H HH21 . ARG A 1 48 ? 8.613 -8.291 17.043 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 15 -ATOM 23172 H HH22 . ARG A 1 48 ? 7.403 -9.435 17.402 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 15 -ATOM 23173 N N . GLY A 1 49 ? 9.448 -7.059 10.300 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 15 -ATOM 23174 C CA . GLY A 1 49 ? 9.950 -8.202 9.557 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 15 -ATOM 23175 C C . GLY A 1 49 ? 9.600 -8.158 8.093 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 15 -ATOM 23176 O O . GLY A 1 49 ? 9.587 -9.193 7.418 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 15 -ATOM 23177 H H . GLY A 1 49 ? 10.082 -6.392 10.640 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 15 -ATOM 23178 H HA2 . GLY A 1 49 ? 11.024 -8.254 9.660 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 15 -ATOM 23179 H HA3 . GLY A 1 49 ? 9.520 -9.095 9.985 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 15 -ATOM 23180 N N . MET A 1 50 ? 9.338 -6.984 7.598 1.00 0.00 ? ? ? ? ? ? 47 MET A N 15 -ATOM 23181 C CA . MET A 1 50 ? 8.933 -6.807 6.225 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 15 -ATOM 23182 C C . MET A 1 50 ? 9.848 -5.797 5.566 1.00 0.00 ? ? ? ? ? ? 47 MET A C 15 -ATOM 23183 O O . MET A 1 50 ? 10.074 -4.727 6.125 1.00 0.00 ? ? ? ? ? ? 47 MET A O 15 -ATOM 23184 C CB . MET A 1 50 ? 7.477 -6.325 6.153 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 15 -ATOM 23185 C CG . MET A 1 50 ? 6.442 -7.302 6.713 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 15 -ATOM 23186 S SD . MET A 1 50 ? 6.328 -8.850 5.781 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 15 -ATOM 23187 C CE . MET A 1 50 ? 5.711 -8.263 4.200 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 15 -ATOM 23188 H H . MET A 1 50 ? 9.449 -6.190 8.164 1.00 0.00 ? ? ? ? ? ? 47 MET A H 15 -ATOM 23189 H HA . MET A 1 50 ? 9.017 -7.761 5.726 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 15 -ATOM 23190 H HB2 . MET A 1 50 ? 7.404 -5.405 6.713 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 15 -ATOM 23191 H HB3 . MET A 1 50 ? 7.235 -6.121 5.120 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 15 -ATOM 23192 H HG2 . MET A 1 50 ? 6.709 -7.541 7.732 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 15 -ATOM 23193 H HG3 . MET A 1 50 ? 5.475 -6.820 6.708 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 15 -ATOM 23194 H HE1 . MET A 1 50 ? 4.760 -7.772 4.349 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 15 -ATOM 23195 H HE2 . MET A 1 50 ? 5.575 -9.105 3.537 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 15 -ATOM 23196 H HE3 . MET A 1 50 ? 6.413 -7.570 3.762 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 15 -ATOM 23197 N N . PRO A 1 51 ? 10.405 -6.118 4.388 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 15 -ATOM 23198 C CA . PRO A 1 51 ? 11.325 -5.223 3.683 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 15 -ATOM 23199 C C . PRO A 1 51 ? 10.652 -3.923 3.215 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 15 -ATOM 23200 O O . PRO A 1 51 ? 9.909 -3.910 2.221 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 15 -ATOM 23201 C CB . PRO A 1 51 ? 11.817 -6.051 2.488 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 15 -ATOM 23202 C CG . PRO A 1 51 ? 10.777 -7.101 2.292 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 15 -ATOM 23203 C CD . PRO A 1 51 ? 10.187 -7.378 3.648 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 15 -ATOM 23204 H HA . PRO A 1 51 ? 12.162 -4.967 4.317 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 15 -ATOM 23205 H HB2 . PRO A 1 51 ? 11.908 -5.414 1.621 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 15 -ATOM 23206 H HB3 . PRO A 1 51 ? 12.777 -6.486 2.723 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 15 -ATOM 23207 H HG2 . PRO A 1 51 ? 10.012 -6.736 1.621 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 15 -ATOM 23208 H HG3 . PRO A 1 51 ? 11.230 -7.996 1.890 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 15 -ATOM 23209 H HD2 . PRO A 1 51 ? 9.132 -7.593 3.558 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 15 -ATOM 23210 H HD3 . PRO A 1 51 ? 10.704 -8.198 4.124 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 15 -ATOM 23211 N N . ASP A 1 52 ? 10.855 -2.859 4.011 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 15 -ATOM 23212 C CA . ASP A 1 52 ? 10.340 -1.503 3.732 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 15 -ATOM 23213 C C . ASP A 1 52 ? 8.865 -1.480 3.461 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 15 -ATOM 23214 O O . ASP A 1 52 ? 8.397 -0.755 2.578 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 15 -ATOM 23215 C CB . ASP A 1 52 ? 11.095 -0.785 2.603 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 15 -ATOM 23216 C CG . ASP A 1 52 ? 12.324 -0.064 3.084 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 15 -ATOM 23217 O OD1 . ASP A 1 52 ? 12.223 0.711 4.072 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 15 -ATOM 23218 O OD2 . ASP A 1 52 ? 13.409 -0.224 2.483 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 15 -ATOM 23219 H H . ASP A 1 52 ? 11.347 -3.018 4.844 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 15 -ATOM 23220 H HA . ASP A 1 52 ? 10.494 -0.942 4.643 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 15 -ATOM 23221 H HB2 . ASP A 1 52 ? 11.398 -1.510 1.863 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 15 -ATOM 23222 H HB3 . ASP A 1 52 ? 10.432 -0.066 2.143 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 15 -ATOM 23223 N N . CYS A 1 53 ? 8.121 -2.225 4.228 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 15 -ATOM 23224 C CA . CYS A 1 53 ? 6.713 -2.249 4.029 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 15 -ATOM 23225 C C . CYS A 1 53 ? 6.055 -1.354 5.048 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 15 -ATOM 23226 O O . CYS A 1 53 ? 6.483 -1.291 6.204 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 15 -ATOM 23227 C CB . CYS A 1 53 ? 6.187 -3.673 4.122 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 15 -ATOM 23228 S SG . CYS A 1 53 ? 6.978 -4.821 2.964 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 15 -ATOM 23229 H H . CYS A 1 53 ? 8.516 -2.747 4.958 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 15 -ATOM 23230 H HA . CYS A 1 53 ? 6.505 -1.860 3.044 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 15 -ATOM 23231 H HB2 . CYS A 1 53 ? 6.352 -4.045 5.121 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 15 -ATOM 23232 H HB3 . CYS A 1 53 ? 5.127 -3.673 3.914 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 15 -ATOM 23233 H HG . CYS A 1 53 ? 8.068 -4.229 2.487 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 15 -ATOM 23234 N N . TYR A 1 54 ? 5.046 -0.664 4.617 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 15 -ATOM 23235 C CA . TYR A 1 54 ? 4.326 0.281 5.427 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 15 -ATOM 23236 C C . TYR A 1 54 ? 2.865 0.046 5.228 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 15 -ATOM 23237 O O . TYR A 1 54 ? 2.467 -0.556 4.220 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 15 -ATOM 23238 C CB . TYR A 1 54 ? 4.630 1.727 4.995 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 15 -ATOM 23239 C CG . TYR A 1 54 ? 6.072 2.156 5.080 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 15 -ATOM 23240 C CD1 . TYR A 1 54 ? 7.006 1.750 4.141 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 15 -ATOM 23241 C CD2 . TYR A 1 54 ? 6.493 2.973 6.096 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 15 -ATOM 23242 C CE1 . TYR A 1 54 ? 8.316 2.151 4.229 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 15 -ATOM 23243 C CE2 . TYR A 1 54 ? 7.794 3.376 6.186 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 15 -ATOM 23244 C CZ . TYR A 1 54 ? 8.700 2.963 5.256 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 15 -ATOM 23245 O OH . TYR A 1 54 ? 10.003 3.357 5.367 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 15 -ATOM 23246 H H . TYR A 1 54 ? 4.750 -0.793 3.685 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 15 -ATOM 23247 H HA . TYR A 1 54 ? 4.595 0.156 6.464 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 15 -ATOM 23248 H HB2 . TYR A 1 54 ? 4.313 1.867 3.973 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 15 -ATOM 23249 H HB3 . TYR A 1 54 ? 4.053 2.388 5.626 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 15 -ATOM 23250 H HD1 . TYR A 1 54 ? 6.695 1.107 3.331 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 15 -ATOM 23251 H HD2 . TYR A 1 54 ? 5.780 3.296 6.838 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 15 -ATOM 23252 H HE1 . TYR A 1 54 ? 9.033 1.821 3.491 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 15 -ATOM 23253 H HE2 . TYR A 1 54 ? 8.101 4.020 6.997 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 15 -ATOM 23254 H HH . TYR A 1 54 ? 10.317 3.641 4.497 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 15 -ATOM 23255 N N . LYS A 1 55 ? 2.066 0.501 6.153 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 15 -ATOM 23256 C CA . LYS A 1 55 ? 0.646 0.367 6.018 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 15 -ATOM 23257 C C . LYS A 1 55 ? -0.032 1.680 6.370 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 15 -ATOM 23258 O O . LYS A 1 55 ? 0.399 2.387 7.293 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 15 -ATOM 23259 C CB . LYS A 1 55 ? 0.074 -0.805 6.886 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 15 -ATOM 23260 C CG . LYS A 1 55 ? -0.159 -0.531 8.395 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 15 -ATOM 23261 C CD . LYS A 1 55 ? 1.099 -0.110 9.149 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 15 -ATOM 23262 C CE . LYS A 1 55 ? 0.816 0.104 10.629 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 15 -ATOM 23263 N NZ . LYS A 1 55 ? -0.243 1.113 10.873 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 15 -ATOM 23264 H H . LYS A 1 55 ? 2.444 0.946 6.942 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 15 -ATOM 23265 H HA . LYS A 1 55 ? 0.442 0.157 4.978 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 15 -ATOM 23266 H HB2 . LYS A 1 55 ? -0.877 -1.101 6.468 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 15 -ATOM 23267 H HB3 . LYS A 1 55 ? 0.751 -1.642 6.798 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 15 -ATOM 23268 H HG2 . LYS A 1 55 ? -0.889 0.259 8.491 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 15 -ATOM 23269 H HG3 . LYS A 1 55 ? -0.554 -1.429 8.846 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 15 -ATOM 23270 H HD2 . LYS A 1 55 ? 1.852 -0.877 9.043 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 15 -ATOM 23271 H HD3 . LYS A 1 55 ? 1.465 0.813 8.724 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 15 -ATOM 23272 H HE2 . LYS A 1 55 ? 0.505 -0.834 11.062 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 15 -ATOM 23273 H HE3 . LYS A 1 55 ? 1.728 0.431 11.105 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 15 -ATOM 23274 H HZ1 . LYS A 1 55 ? -0.369 1.226 11.900 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 15 -ATOM 23275 H HZ2 . LYS A 1 55 ? -1.163 0.797 10.512 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 15 -ATOM 23276 H HZ3 . LYS A 1 55 ? 0.001 2.046 10.488 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 15 -ATOM 23277 N N . ILE A 1 56 ? -1.042 2.022 5.634 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 15 -ATOM 23278 C CA . ILE A 1 56 ? -1.852 3.177 5.942 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 15 -ATOM 23279 C C . ILE A 1 56 ? -3.249 2.672 6.165 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 15 -ATOM 23280 O O . ILE A 1 56 ? -3.663 1.703 5.528 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 15 -ATOM 23281 C CB . ILE A 1 56 ? -1.867 4.259 4.811 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 15 -ATOM 23282 C CG1 . ILE A 1 56 ? -0.436 4.691 4.462 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 15 -ATOM 23283 C CG2 . ILE A 1 56 ? -2.695 5.488 5.259 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 15 -ATOM 23284 C CD1 . ILE A 1 56 ? -0.354 5.716 3.349 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 15 -ATOM 23285 H H . ILE A 1 56 ? -1.272 1.463 4.857 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 15 -ATOM 23286 H HA . ILE A 1 56 ? -1.484 3.608 6.862 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 15 -ATOM 23287 H HB . ILE A 1 56 ? -2.338 3.833 3.937 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 15 -ATOM 23288 H HG12 . ILE A 1 56 ? 0.023 5.124 5.337 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 15 -ATOM 23289 H HG13 . ILE A 1 56 ? 0.129 3.822 4.157 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 15 -ATOM 23290 H HG21 . ILE A 1 56 ? -3.715 5.202 5.476 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 15 -ATOM 23291 H HG22 . ILE A 1 56 ? -2.709 6.242 4.486 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 15 -ATOM 23292 H HG23 . ILE A 1 56 ? -2.262 5.916 6.150 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 15 -ATOM 23293 H HD11 . ILE A 1 56 ? -0.873 6.613 3.651 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 15 -ATOM 23294 H HD12 . ILE A 1 56 ? -0.818 5.318 2.457 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 15 -ATOM 23295 H HD13 . ILE A 1 56 ? 0.680 5.949 3.147 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 15 -ATOM 23296 N N . LYS A 1 57 ? -3.944 3.265 7.074 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 15 -ATOM 23297 C CA . LYS A 1 57 ? -5.275 2.860 7.367 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 15 -ATOM 23298 C C . LYS A 1 57 ? -6.238 4.024 7.310 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 15 -ATOM 23299 O O . LYS A 1 57 ? -5.895 5.152 7.687 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 15 -ATOM 23300 C CB . LYS A 1 57 ? -5.338 2.076 8.707 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 15 -ATOM 23301 C CG . LYS A 1 57 ? -4.465 2.624 9.863 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 15 -ATOM 23302 C CD . LYS A 1 57 ? -4.892 3.996 10.384 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 15 -ATOM 23303 C CE . LYS A 1 57 ? -6.242 3.962 11.093 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 15 -ATOM 23304 N NZ . LYS A 1 57 ? -6.210 3.128 12.317 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 15 -ATOM 23305 H H . LYS A 1 57 ? -3.571 4.028 7.562 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 15 -ATOM 23306 H HA . LYS A 1 57 ? -5.558 2.181 6.576 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 15 -ATOM 23307 H HB2 . LYS A 1 57 ? -6.363 2.049 9.046 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 15 -ATOM 23308 H HB3 . LYS A 1 57 ? -5.020 1.064 8.511 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 15 -ATOM 23309 H HG2 . LYS A 1 57 ? -4.519 1.924 10.681 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 15 -ATOM 23310 H HG3 . LYS A 1 57 ? -3.442 2.676 9.518 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 15 -ATOM 23311 H HD2 . LYS A 1 57 ? -4.147 4.354 11.077 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 15 -ATOM 23312 H HD3 . LYS A 1 57 ? -4.954 4.670 9.541 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 15 -ATOM 23313 H HE2 . LYS A 1 57 ? -6.508 4.975 11.356 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 15 -ATOM 23314 H HE3 . LYS A 1 57 ? -6.978 3.569 10.406 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 15 -ATOM 23315 H HZ1 . LYS A 1 57 ? -5.992 2.135 12.094 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 15 -ATOM 23316 H HZ2 . LYS A 1 57 ? -7.130 3.151 12.800 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 15 -ATOM 23317 H HZ3 . LYS A 1 57 ? -5.483 3.479 12.972 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 15 -ATOM 23318 N N . LEU A 1 58 ? -7.397 3.774 6.775 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 15 -ATOM 23319 C CA . LEU A 1 58 ? -8.438 4.742 6.744 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 15 -ATOM 23320 C C . LEU A 1 58 ? -9.203 4.681 8.018 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 15 -ATOM 23321 O O . LEU A 1 58 ? -9.847 3.674 8.306 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 15 -ATOM 23322 C CB . LEU A 1 58 ? -9.411 4.506 5.592 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 15 -ATOM 23323 C CG . LEU A 1 58 ? -8.945 4.832 4.186 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 15 -ATOM 23324 C CD1 . LEU A 1 58 ? -10.074 4.590 3.209 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 15 -ATOM 23325 C CD2 . LEU A 1 58 ? -8.458 6.269 4.104 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 15 -ATOM 23326 H H . LEU A 1 58 ? -7.570 2.888 6.381 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 15 -ATOM 23327 H HA . LEU A 1 58 ? -8.001 5.723 6.634 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 15 -ATOM 23328 H HB2 . LEU A 1 58 ? -9.685 3.461 5.610 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 15 -ATOM 23329 H HB3 . LEU A 1 58 ? -10.296 5.082 5.804 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 15 -ATOM 23330 H HG . LEU A 1 58 ? -8.142 4.179 3.887 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 15 -ATOM 23331 H HD11 . LEU A 1 58 ? -9.744 4.836 2.211 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 15 -ATOM 23332 H HD12 . LEU A 1 58 ? -10.918 5.209 3.477 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 15 -ATOM 23333 H HD13 . LEU A 1 58 ? -10.364 3.551 3.247 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 15 -ATOM 23334 H HD21 . LEU A 1 58 ? -7.600 6.401 4.744 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 15 -ATOM 23335 H HD22 . LEU A 1 58 ? -9.250 6.929 4.427 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 15 -ATOM 23336 H HD23 . LEU A 1 58 ? -8.188 6.498 3.083 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 15 -ATOM 23337 N N . ARG A 1 59 ? -9.148 5.741 8.767 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 15 -ATOM 23338 C CA . ARG A 1 59 ? -9.903 5.861 10.000 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 15 -ATOM 23339 C C . ARG A 1 59 ? -11.391 5.892 9.649 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 15 -ATOM 23340 O O . ARG A 1 59 ? -12.239 5.434 10.402 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 15 -ATOM 23341 C CB . ARG A 1 59 ? -9.515 7.160 10.695 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 15 -ATOM 23342 C CG . ARG A 1 59 ? -10.187 7.398 12.033 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 15 -ATOM 23343 C CD . ARG A 1 59 ? -9.896 8.800 12.520 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 15 -ATOM 23344 N NE . ARG A 1 59 ? -10.455 9.806 11.609 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 15 -ATOM 23345 C CZ . ARG A 1 59 ? -9.849 10.939 11.230 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 15 -ATOM 23346 N NH1 . ARG A 1 59 ? -8.586 11.193 11.593 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 15 -ATOM 23347 N NH2 . ARG A 1 59 ? -10.500 11.797 10.465 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 15 -ATOM 23348 H H . ARG A 1 59 ? -8.571 6.483 8.478 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 15 -ATOM 23349 H HA . ARG A 1 59 ? -9.685 5.021 10.643 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 15 -ATOM 23350 H HB2 . ARG A 1 59 ? -8.446 7.161 10.853 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 15 -ATOM 23351 H HB3 . ARG A 1 59 ? -9.764 7.985 10.043 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 15 -ATOM 23352 H HG2 . ARG A 1 59 ? -11.253 7.276 11.915 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 15 -ATOM 23353 H HG3 . ARG A 1 59 ? -9.812 6.687 12.754 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 15 -ATOM 23354 H HD2 . ARG A 1 59 ? -10.327 8.931 13.502 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 15 -ATOM 23355 H HD3 . ARG A 1 59 ? -8.826 8.934 12.572 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 15 -ATOM 23356 H HE . ARG A 1 59 ? -11.371 9.607 11.299 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 15 -ATOM 23357 H HH11 . ARG A 1 59 ? -8.042 10.565 12.153 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 15 -ATOM 23358 H HH12 . ARG A 1 59 ? -8.116 12.040 11.328 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 15 -ATOM 23359 H HH21 . ARG A 1 59 ? -11.439 11.635 10.150 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 15 -ATOM 23360 H HH22 . ARG A 1 59 ? -10.093 12.671 10.181 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 15 -ATOM 23361 N N . SER A 1 60 ? -11.664 6.422 8.487 1.00 0.00 ? ? ? ? ? ? 57 SER A N 15 -ATOM 23362 C CA . SER A 1 60 ? -12.979 6.573 7.962 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 15 -ATOM 23363 C C . SER A 1 60 ? -13.642 5.205 7.659 1.00 0.00 ? ? ? ? ? ? 57 SER A C 15 -ATOM 23364 O O . SER A 1 60 ? -14.619 4.808 8.312 1.00 0.00 ? ? ? ? ? ? 57 SER A O 15 -ATOM 23365 C CB . SER A 1 60 ? -12.831 7.374 6.686 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 15 -ATOM 23366 O OG . SER A 1 60 ? -11.803 8.343 6.862 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 15 -ATOM 23367 H H . SER A 1 60 ? -10.938 6.792 7.939 1.00 0.00 ? ? ? ? ? ? 57 SER A H 15 -ATOM 23368 H HA . SER A 1 60 ? -13.580 7.148 8.648 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 15 -ATOM 23369 H HB2 . SER A 1 60 ? -12.561 6.713 5.875 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 15 -ATOM 23370 H HB3 . SER A 1 60 ? -13.756 7.882 6.457 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 15 -ATOM 23371 H HG . SER A 1 60 ? -12.212 9.214 6.917 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 15 -ATOM 23372 N N . SER A 1 61 ? -13.078 4.483 6.706 1.00 0.00 ? ? ? ? ? ? 58 SER A N 15 -ATOM 23373 C CA . SER A 1 61 ? -13.669 3.257 6.213 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 15 -ATOM 23374 C C . SER A 1 61 ? -13.211 2.003 6.980 1.00 0.00 ? ? ? ? ? ? 58 SER A C 15 -ATOM 23375 O O . SER A 1 61 ? -13.899 0.986 6.964 1.00 0.00 ? ? ? ? ? ? 58 SER A O 15 -ATOM 23376 C CB . SER A 1 61 ? -13.325 3.133 4.739 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 15 -ATOM 23377 O OG . SER A 1 61 ? -13.589 4.359 4.071 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 15 -ATOM 23378 H H . SER A 1 61 ? -12.255 4.798 6.284 1.00 0.00 ? ? ? ? ? ? 58 SER A H 15 -ATOM 23379 H HA . SER A 1 61 ? -14.741 3.336 6.293 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 15 -ATOM 23380 H HB2 . SER A 1 61 ? -12.276 2.897 4.631 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 15 -ATOM 23381 H HB3 . SER A 1 61 ? -13.924 2.356 4.289 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 15 -ATOM 23382 H HG . SER A 1 61 ? -14.525 4.561 4.196 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 15 -ATOM 23383 N N . GLY A 1 62 ? -12.064 2.073 7.636 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 15 -ATOM 23384 C CA . GLY A 1 62 ? -11.556 0.911 8.349 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 15 -ATOM 23385 C C . GLY A 1 62 ? -10.730 0.003 7.451 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 15 -ATOM 23386 O O . GLY A 1 62 ? -10.440 -1.149 7.804 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 15 -ATOM 23387 H H . GLY A 1 62 ? -11.548 2.907 7.678 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 15 -ATOM 23388 H HA2 . GLY A 1 62 ? -10.941 1.246 9.172 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 15 -ATOM 23389 H HA3 . GLY A 1 62 ? -12.392 0.347 8.736 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 15 -ATOM 23390 N N . TYR A 1 63 ? -10.348 0.522 6.301 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 15 -ATOM 23391 C CA . TYR A 1 63 ? -9.560 -0.224 5.333 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 15 -ATOM 23392 C C . TYR A 1 63 ? -8.101 0.098 5.486 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 15 -ATOM 23393 O O . TYR A 1 63 ? -7.742 1.231 5.814 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 15 -ATOM 23394 C CB . TYR A 1 63 ? -10.028 0.054 3.898 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 15 -ATOM 23395 C CG . TYR A 1 63 ? -11.320 -0.639 3.528 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 15 -ATOM 23396 C CD1 . TYR A 1 63 ? -12.532 -0.240 4.066 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 15 -ATOM 23397 C CD2 . TYR A 1 63 ? -11.321 -1.708 2.644 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 15 -ATOM 23398 C CE1 . TYR A 1 63 ? -13.704 -0.880 3.737 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 15 -ATOM 23399 C CE2 . TYR A 1 63 ? -12.489 -2.358 2.311 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 15 -ATOM 23400 C CZ . TYR A 1 63 ? -13.677 -1.938 2.859 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 15 -ATOM 23401 O OH . TYR A 1 63 ? -14.849 -2.588 2.538 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 15 -ATOM 23402 H H . TYR A 1 63 ? -10.577 1.452 6.107 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 15 -ATOM 23403 H HA . TYR A 1 63 ? -9.702 -1.273 5.547 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 15 -ATOM 23404 H HB2 . TYR A 1 63 ? -10.179 1.116 3.778 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 15 -ATOM 23405 H HB3 . TYR A 1 63 ? -9.263 -0.271 3.209 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 15 -ATOM 23406 H HD1 . TYR A 1 63 ? -12.549 0.591 4.756 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 15 -ATOM 23407 H HD2 . TYR A 1 63 ? -10.386 -2.032 2.212 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 15 -ATOM 23408 H HE1 . TYR A 1 63 ? -14.638 -0.549 4.166 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 15 -ATOM 23409 H HE2 . TYR A 1 63 ? -12.469 -3.189 1.622 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 15 -ATOM 23410 H HH . TYR A 1 63 ? -15.484 -1.901 2.295 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 15 -ATOM 23411 N N . ARG A 1 64 ? -7.271 -0.886 5.273 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 15 -ATOM 23412 C CA . ARG A 1 64 ? -5.855 -0.754 5.435 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 15 -ATOM 23413 C C . ARG A 1 64 ? -5.170 -1.103 4.122 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 15 -ATOM 23414 O O . ARG A 1 64 ? -5.658 -1.941 3.360 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 15 -ATOM 23415 C CB . ARG A 1 64 ? -5.393 -1.701 6.533 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 15 -ATOM 23416 C CG . ARG A 1 64 ? -6.240 -1.614 7.794 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 15 -ATOM 23417 C CD . ARG A 1 64 ? -5.743 -2.553 8.845 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 15 -ATOM 23418 N NE . ARG A 1 64 ? -6.628 -2.599 10.017 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 15 -ATOM 23419 C CZ . ARG A 1 64 ? -6.320 -3.151 11.202 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 15 -ATOM 23420 N NH1 . ARG A 1 64 ? -5.083 -3.573 11.447 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 15 -ATOM 23421 N NH2 . ARG A 1 64 ? -7.244 -3.242 12.148 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 15 -ATOM 23422 H H . ARG A 1 64 ? -7.606 -1.762 4.973 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 15 -ATOM 23423 H HA . ARG A 1 64 ? -5.621 0.260 5.718 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 15 -ATOM 23424 H HB2 . ARG A 1 64 ? -5.437 -2.713 6.161 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 15 -ATOM 23425 H HB3 . ARG A 1 64 ? -4.372 -1.464 6.793 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 15 -ATOM 23426 H HG2 . ARG A 1 64 ? -6.210 -0.607 8.180 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 15 -ATOM 23427 H HG3 . ARG A 1 64 ? -7.258 -1.873 7.544 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 15 -ATOM 23428 H HD2 . ARG A 1 64 ? -5.661 -3.536 8.407 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 15 -ATOM 23429 H HD3 . ARG A 1 64 ? -4.770 -2.198 9.137 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 15 -ATOM 23430 H HE . ARG A 1 64 ? -7.524 -2.222 9.860 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 15 -ATOM 23431 H HH11 . ARG A 1 64 ? -4.354 -3.485 10.762 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 15 -ATOM 23432 H HH12 . ARG A 1 64 ? -4.823 -3.998 12.320 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 15 -ATOM 23433 H HH21 . ARG A 1 64 ? -8.177 -2.905 12.000 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 15 -ATOM 23434 H HH22 . ARG A 1 64 ? -7.063 -3.638 13.051 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 15 -ATOM 23435 N N . LEU A 1 65 ? -4.071 -0.467 3.854 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 15 -ATOM 23436 C CA . LEU A 1 65 ? -3.326 -0.691 2.640 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 15 -ATOM 23437 C C . LEU A 1 65 ? -1.856 -0.897 2.996 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 15 -ATOM 23438 O O . LEU A 1 65 ? -1.312 -0.150 3.801 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 15 -ATOM 23439 C CB . LEU A 1 65 ? -3.557 0.521 1.695 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 15 -ATOM 23440 C CG . LEU A 1 65 ? -2.936 0.491 0.284 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 15 -ATOM 23441 C CD1 . LEU A 1 65 ? -3.627 1.509 -0.599 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 15 -ATOM 23442 C CD2 . LEU A 1 65 ? -1.461 0.822 0.334 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 15 -ATOM 23443 H H . LEU A 1 65 ? -3.735 0.202 4.492 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 15 -ATOM 23444 H HA . LEU A 1 65 ? -3.706 -1.587 2.174 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 15 -ATOM 23445 H HB2 . LEU A 1 65 ? -4.623 0.639 1.575 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 15 -ATOM 23446 H HB3 . LEU A 1 65 ? -3.186 1.399 2.202 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 15 -ATOM 23447 H HG . LEU A 1 65 ? -3.059 -0.487 -0.154 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 15 -ATOM 23448 H HD11 . LEU A 1 65 ? -4.680 1.272 -0.659 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 15 -ATOM 23449 H HD12 . LEU A 1 65 ? -3.196 1.469 -1.588 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 15 -ATOM 23450 H HD13 . LEU A 1 65 ? -3.500 2.496 -0.179 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 15 -ATOM 23451 H HD21 . LEU A 1 65 ? -0.943 0.061 0.897 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 15 -ATOM 23452 H HD22 . LEU A 1 65 ? -1.337 1.772 0.831 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 15 -ATOM 23453 H HD23 . LEU A 1 65 ? -1.064 0.874 -0.669 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 15 -ATOM 23454 N N . VAL A 1 66 ? -1.235 -1.910 2.403 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 15 -ATOM 23455 C CA . VAL A 1 66 ? 0.158 -2.266 2.676 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 15 -ATOM 23456 C C . VAL A 1 66 ? 0.997 -2.155 1.393 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 15 -ATOM 23457 O O . VAL A 1 66 ? 0.646 -2.729 0.341 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 15 -ATOM 23458 C CB . VAL A 1 66 ? 0.272 -3.719 3.241 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 15 -ATOM 23459 C CG1 . VAL A 1 66 ? 1.725 -4.104 3.495 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 15 -ATOM 23460 C CG2 . VAL A 1 66 ? -0.543 -3.870 4.520 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 15 -ATOM 23461 H H . VAL A 1 66 ? -1.708 -2.442 1.723 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 15 -ATOM 23462 H HA . VAL A 1 66 ? 0.545 -1.575 3.411 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 15 -ATOM 23463 H HB . VAL A 1 66 ? -0.129 -4.396 2.500 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 15 -ATOM 23464 H HG11 . VAL A 1 66 ? 2.152 -3.417 4.211 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 15 -ATOM 23465 H HG12 . VAL A 1 66 ? 2.283 -4.054 2.572 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 15 -ATOM 23466 H HG13 . VAL A 1 66 ? 1.771 -5.108 3.893 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 15 -ATOM 23467 H HG21 . VAL A 1 66 ? -0.441 -4.878 4.895 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 15 -ATOM 23468 H HG22 . VAL A 1 66 ? -1.582 -3.662 4.314 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 15 -ATOM 23469 H HG23 . VAL A 1 66 ? -0.180 -3.172 5.260 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 15 -ATOM 23470 N N . TYR A 1 67 ? 2.092 -1.445 1.481 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 15 -ATOM 23471 C CA . TYR A 1 67 ? 2.965 -1.232 0.346 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 15 -ATOM 23472 C C . TYR A 1 67 ? 4.420 -1.334 0.754 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 15 -ATOM 23473 O O . TYR A 1 67 ? 4.738 -1.195 1.933 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 15 -ATOM 23474 C CB . TYR A 1 67 ? 2.691 0.136 -0.318 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 15 -ATOM 23475 C CG . TYR A 1 67 ? 2.812 1.362 0.583 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 15 -ATOM 23476 C CD1 . TYR A 1 67 ? 4.038 1.782 1.088 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 15 -ATOM 23477 C CD2 . TYR A 1 67 ? 1.699 2.106 0.903 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 15 -ATOM 23478 C CE1 . TYR A 1 67 ? 4.138 2.895 1.880 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 15 -ATOM 23479 C CE2 . TYR A 1 67 ? 1.790 3.222 1.695 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 15 -ATOM 23480 C CZ . TYR A 1 67 ? 3.015 3.613 2.183 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 15 -ATOM 23481 O OH . TYR A 1 67 ? 3.115 4.720 2.982 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 15 -ATOM 23482 H H . TYR A 1 67 ? 2.341 -1.061 2.353 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 15 -ATOM 23483 H HA . TYR A 1 67 ? 2.760 -2.008 -0.375 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 15 -ATOM 23484 H HB2 . TYR A 1 67 ? 3.372 0.277 -1.143 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 15 -ATOM 23485 H HB3 . TYR A 1 67 ? 1.682 0.119 -0.703 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 15 -ATOM 23486 H HD1 . TYR A 1 67 ? 4.922 1.212 0.848 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 15 -ATOM 23487 H HD2 . TYR A 1 67 ? 0.737 1.797 0.522 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 15 -ATOM 23488 H HE1 . TYR A 1 67 ? 5.101 3.201 2.261 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 15 -ATOM 23489 H HE2 . TYR A 1 67 ? 0.895 3.783 1.918 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 15 -ATOM 23490 H HH . TYR A 1 67 ? 3.895 5.216 2.722 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 15 -ATOM 23491 N N . GLN A 1 68 ? 5.282 -1.589 -0.199 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 15 -ATOM 23492 C CA . GLN A 1 68 ? 6.704 -1.587 0.047 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 15 -ATOM 23493 C C . GLN A 1 68 ? 7.319 -0.408 -0.693 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 15 -ATOM 23494 O O . GLN A 1 68 ? 6.927 -0.097 -1.825 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 15 -ATOM 23495 C CB . GLN A 1 68 ? 7.379 -2.915 -0.365 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 15 -ATOM 23496 C CG . GLN A 1 68 ? 7.336 -3.238 -1.857 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 15 -ATOM 23497 C CD . GLN A 1 68 ? 8.062 -4.526 -2.197 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 15 -ATOM 23498 O OE1 . GLN A 1 68 ? 7.479 -5.608 -2.214 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 15 -ATOM 23499 N NE2 . GLN A 1 68 ? 9.342 -4.432 -2.451 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 15 -ATOM 23500 H H . GLN A 1 68 ? 4.960 -1.760 -1.113 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 15 -ATOM 23501 H HA . GLN A 1 68 ? 6.844 -1.418 1.104 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 15 -ATOM 23502 H HB2 . GLN A 1 68 ? 8.417 -2.877 -0.070 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 15 -ATOM 23503 H HB3 . GLN A 1 68 ? 6.900 -3.721 0.170 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 15 -ATOM 23504 H HG2 . GLN A 1 68 ? 6.305 -3.331 -2.164 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 15 -ATOM 23505 H HG3 . GLN A 1 68 ? 7.798 -2.427 -2.400 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 15 -ATOM 23506 H HE21 . GLN A 1 68 ? 9.786 -3.558 -2.416 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 15 -ATOM 23507 H HE22 . GLN A 1 68 ? 9.838 -5.249 -2.662 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 15 -ATOM 23508 N N . VAL A 1 69 ? 8.215 0.277 -0.059 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 15 -ATOM 23509 C CA . VAL A 1 69 ? 8.855 1.412 -0.679 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 15 -ATOM 23510 C C . VAL A 1 69 ? 10.183 0.994 -1.269 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 15 -ATOM 23511 O O . VAL A 1 69 ? 11.112 0.624 -0.543 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 15 -ATOM 23512 C CB . VAL A 1 69 ? 9.069 2.585 0.314 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 15 -ATOM 23513 C CG1 . VAL A 1 69 ? 9.773 3.764 -0.364 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 15 -ATOM 23514 C CG2 . VAL A 1 69 ? 7.743 3.036 0.895 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 15 -ATOM 23515 H H . VAL A 1 69 ? 8.462 0.005 0.854 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 15 -ATOM 23516 H HA . VAL A 1 69 ? 8.214 1.748 -1.482 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 15 -ATOM 23517 H HB . VAL A 1 69 ? 9.694 2.232 1.121 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 15 -ATOM 23518 H HG11 . VAL A 1 69 ? 9.171 4.117 -1.189 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 15 -ATOM 23519 H HG12 . VAL A 1 69 ? 10.736 3.443 -0.734 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 15 -ATOM 23520 H HG13 . VAL A 1 69 ? 9.910 4.561 0.351 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 15 -ATOM 23521 H HG21 . VAL A 1 69 ? 7.102 3.398 0.106 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 15 -ATOM 23522 H HG22 . VAL A 1 69 ? 7.918 3.819 1.617 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 15 -ATOM 23523 H HG23 . VAL A 1 69 ? 7.270 2.199 1.386 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 15 -ATOM 23524 N N . ILE A 1 70 ? 10.277 1.023 -2.567 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 15 -ATOM 23525 C CA . ILE A 1 70 ? 11.503 0.696 -3.213 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 15 -ATOM 23526 C C . ILE A 1 70 ? 12.213 2.005 -3.479 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 15 -ATOM 23527 O O . ILE A 1 70 ? 11.941 2.682 -4.482 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 15 -ATOM 23528 C CB . ILE A 1 70 ? 11.278 -0.037 -4.562 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 15 -ATOM 23529 C CG1 . ILE A 1 70 ? 10.251 -1.171 -4.399 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 15 -ATOM 23530 C CG2 . ILE A 1 70 ? 12.609 -0.601 -5.066 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 15 -ATOM 23531 C CD1 . ILE A 1 70 ? 9.869 -1.851 -5.700 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 15 -ATOM 23532 H H . ILE A 1 70 ? 9.510 1.298 -3.120 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 15 -ATOM 23533 H HA . ILE A 1 70 ? 12.096 0.081 -2.553 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 15 -ATOM 23534 H HB . ILE A 1 70 ? 10.912 0.678 -5.284 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 15 -ATOM 23535 H HG12 . ILE A 1 70 ? 10.659 -1.925 -3.741 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 15 -ATOM 23536 H HG13 . ILE A 1 70 ? 9.353 -0.768 -3.955 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 15 -ATOM 23537 H HG21 . ILE A 1 70 ? 13.307 0.211 -5.216 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 15 -ATOM 23538 H HG22 . ILE A 1 70 ? 12.448 -1.116 -6.002 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 15 -ATOM 23539 H HG23 . ILE A 1 70 ? 13.009 -1.292 -4.339 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 15 -ATOM 23540 H HD11 . ILE A 1 70 ? 9.444 -1.116 -6.368 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 15 -ATOM 23541 H HD12 . ILE A 1 70 ? 9.141 -2.624 -5.504 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 15 -ATOM 23542 H HD13 . ILE A 1 70 ? 10.749 -2.282 -6.154 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 15 -ATOM 23543 N N . ASP A 1 71 ? 13.098 2.379 -2.584 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 15 -ATOM 23544 C CA . ASP A 1 71 ? 13.802 3.648 -2.670 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 15 -ATOM 23545 C C . ASP A 1 71 ? 14.765 3.646 -3.836 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 15 -ATOM 23546 O O . ASP A 1 71 ? 15.052 4.683 -4.422 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 15 -ATOM 23547 C CB . ASP A 1 71 ? 14.551 3.936 -1.367 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 15 -ATOM 23548 C CG . ASP A 1 71 ? 15.694 2.975 -1.095 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 15 -ATOM 23549 O OD1 . ASP A 1 71 ? 15.443 1.847 -0.641 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 15 -ATOM 23550 O OD2 . ASP A 1 71 ? 16.858 3.347 -1.314 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 15 -ATOM 23551 H H . ASP A 1 71 ? 13.299 1.806 -1.810 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 15 -ATOM 23552 H HA . ASP A 1 71 ? 13.067 4.424 -2.826 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 15 -ATOM 23553 H HB2 . ASP A 1 71 ? 14.951 4.934 -1.421 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 15 -ATOM 23554 H HB3 . ASP A 1 71 ? 13.851 3.882 -0.546 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 15 -ATOM 23555 N N . GLU A 1 72 ? 15.206 2.465 -4.188 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 15 -ATOM 23556 C CA . GLU A 1 72 ? 16.138 2.238 -5.278 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 15 -ATOM 23557 C C . GLU A 1 72 ? 15.500 2.556 -6.636 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 15 -ATOM 23558 O O . GLU A 1 72 ? 16.178 2.959 -7.574 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 15 -ATOM 23559 C CB . GLU A 1 72 ? 16.581 0.791 -5.225 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 15 -ATOM 23560 C CG . GLU A 1 72 ? 17.260 0.425 -3.918 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 15 -ATOM 23561 C CD . GLU A 1 72 ? 17.462 -1.050 -3.764 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 15 -ATOM 23562 O OE1 . GLU A 1 72 ? 18.416 -1.603 -4.341 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 15 -ATOM 23563 O OE2 . GLU A 1 72 ? 16.648 -1.700 -3.056 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 15 -ATOM 23564 H H . GLU A 1 72 ? 14.910 1.699 -3.655 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 15 -ATOM 23565 H HA . GLU A 1 72 ? 17.001 2.867 -5.128 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 15 -ATOM 23566 H HB2 . GLU A 1 72 ? 15.720 0.152 -5.358 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 15 -ATOM 23567 H HB3 . GLU A 1 72 ? 17.279 0.617 -6.029 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 15 -ATOM 23568 H HG2 . GLU A 1 72 ? 18.225 0.907 -3.880 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 15 -ATOM 23569 H HG3 . GLU A 1 72 ? 16.651 0.781 -3.100 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 15 -ATOM 23570 N N . LYS A 1 73 ? 14.198 2.370 -6.734 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 15 -ATOM 23571 C CA . LYS A 1 73 ? 13.478 2.660 -7.968 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 15 -ATOM 23572 C C . LYS A 1 73 ? 12.675 3.946 -7.820 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 15 -ATOM 23573 O O . LYS A 1 73 ? 12.072 4.430 -8.779 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 15 -ATOM 23574 C CB . LYS A 1 73 ? 12.534 1.514 -8.335 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 15 -ATOM 23575 C CG . LYS A 1 73 ? 13.200 0.197 -8.688 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 15 -ATOM 23576 C CD . LYS A 1 73 ? 12.145 -0.847 -9.037 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 15 -ATOM 23577 C CE . LYS A 1 73 ? 12.750 -2.202 -9.379 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 15 -ATOM 23578 N NZ . LYS A 1 73 ? 13.663 -2.144 -10.548 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 15 -ATOM 23579 H H . LYS A 1 73 ? 13.707 2.041 -5.955 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 15 -ATOM 23580 H HA . LYS A 1 73 ? 14.205 2.785 -8.755 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 15 -ATOM 23581 H HB2 . LYS A 1 73 ? 11.912 1.322 -7.474 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 15 -ATOM 23582 H HB3 . LYS A 1 73 ? 11.911 1.821 -9.163 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 15 -ATOM 23583 H HG2 . LYS A 1 73 ? 13.849 0.347 -9.539 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 15 -ATOM 23584 H HG3 . LYS A 1 73 ? 13.777 -0.150 -7.844 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 15 -ATOM 23585 H HD2 . LYS A 1 73 ? 11.486 -0.970 -8.190 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 15 -ATOM 23586 H HD3 . LYS A 1 73 ? 11.573 -0.491 -9.881 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 15 -ATOM 23587 H HE2 . LYS A 1 73 ? 13.298 -2.564 -8.523 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 15 -ATOM 23588 H HE3 . LYS A 1 73 ? 11.946 -2.889 -9.591 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 15 -ATOM 23589 H HZ1 . LYS A 1 73 ? 13.159 -1.832 -11.402 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 15 -ATOM 23590 H HZ2 . LYS A 1 73 ? 14.052 -3.094 -10.723 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 15 -ATOM 23591 H HZ3 . LYS A 1 73 ? 14.466 -1.508 -10.377 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 15 -ATOM 23592 N N . VAL A 1 74 ? 12.666 4.484 -6.594 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 15 -ATOM 23593 C CA . VAL A 1 74 ? 11.934 5.713 -6.244 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 15 -ATOM 23594 C C . VAL A 1 74 ? 10.405 5.461 -6.412 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 15 -ATOM 23595 O O . VAL A 1 74 ? 9.607 6.366 -6.636 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 15 -ATOM 23596 C CB . VAL A 1 74 ? 12.439 6.954 -7.104 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 15 -ATOM 23597 C CG1 . VAL A 1 74 ? 11.824 8.279 -6.641 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 15 -ATOM 23598 C CG2 . VAL A 1 74 ? 13.964 7.056 -7.064 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 15 -ATOM 23599 H H . VAL A 1 74 ? 13.178 4.036 -5.890 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 15 -ATOM 23600 H HA . VAL A 1 74 ? 12.120 5.896 -5.196 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 15 -ATOM 23601 H HB . VAL A 1 74 ? 12.141 6.786 -8.128 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 15 -ATOM 23602 H HG11 . VAL A 1 74 ? 12.078 8.452 -5.606 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 15 -ATOM 23603 H HG12 . VAL A 1 74 ? 10.750 8.232 -6.745 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 15 -ATOM 23604 H HG13 . VAL A 1 74 ? 12.206 9.087 -7.246 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 15 -ATOM 23605 H HG21 . VAL A 1 74 ? 14.292 7.188 -6.043 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 15 -ATOM 23606 H HG22 . VAL A 1 74 ? 14.285 7.901 -7.656 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 15 -ATOM 23607 H HG23 . VAL A 1 74 ? 14.395 6.152 -7.465 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 15 -ATOM 23608 N N . VAL A 1 75 ? 9.998 4.226 -6.221 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 15 -ATOM 23609 C CA . VAL A 1 75 ? 8.608 3.882 -6.392 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 15 -ATOM 23610 C C . VAL A 1 75 ? 8.086 3.088 -5.200 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 15 -ATOM 23611 O O . VAL A 1 75 ? 8.788 2.251 -4.617 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 15 -ATOM 23612 C CB . VAL A 1 75 ? 8.328 3.126 -7.745 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 15 -ATOM 23613 C CG1 . VAL A 1 75 ? 8.995 1.772 -7.797 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 15 -ATOM 23614 C CG2 . VAL A 1 75 ? 6.832 3.003 -8.036 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 15 -ATOM 23615 H H . VAL A 1 75 ? 10.630 3.536 -5.923 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 15 -ATOM 23616 H HA . VAL A 1 75 ? 8.065 4.818 -6.409 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 15 -ATOM 23617 H HB . VAL A 1 75 ? 8.774 3.713 -8.535 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 15 -ATOM 23618 H HG11 . VAL A 1 75 ? 8.761 1.301 -8.741 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 15 -ATOM 23619 H HG12 . VAL A 1 75 ? 8.635 1.165 -6.980 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 15 -ATOM 23620 H HG13 . VAL A 1 75 ? 10.060 1.910 -7.713 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 15 -ATOM 23621 H HG21 . VAL A 1 75 ? 6.353 2.458 -7.236 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 15 -ATOM 23622 H HG22 . VAL A 1 75 ? 6.686 2.477 -8.968 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 15 -ATOM 23623 H HG23 . VAL A 1 75 ? 6.396 3.989 -8.108 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 15 -ATOM 23624 N N . VAL A 1 76 ? 6.903 3.414 -4.817 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 15 -ATOM 23625 C CA . VAL A 1 76 ? 6.191 2.767 -3.779 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 15 -ATOM 23626 C C . VAL A 1 76 ? 5.266 1.747 -4.433 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 15 -ATOM 23627 O O . VAL A 1 76 ? 4.426 2.094 -5.278 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 15 -ATOM 23628 C CB . VAL A 1 76 ? 5.375 3.803 -2.975 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 15 -ATOM 23629 C CG1 . VAL A 1 76 ? 4.598 3.142 -1.875 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 15 -ATOM 23630 C CG2 . VAL A 1 76 ? 6.288 4.882 -2.405 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 15 -ATOM 23631 H H . VAL A 1 76 ? 6.445 4.152 -5.273 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 15 -ATOM 23632 H HA . VAL A 1 76 ? 6.889 2.269 -3.124 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 15 -ATOM 23633 H HB . VAL A 1 76 ? 4.679 4.280 -3.648 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 15 -ATOM 23634 H HG11 . VAL A 1 76 ? 3.915 2.422 -2.301 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 15 -ATOM 23635 H HG12 . VAL A 1 76 ? 4.040 3.887 -1.329 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 15 -ATOM 23636 H HG13 . VAL A 1 76 ? 5.279 2.635 -1.208 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 15 -ATOM 23637 H HG21 . VAL A 1 76 ? 7.031 4.428 -1.766 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 15 -ATOM 23638 H HG22 . VAL A 1 76 ? 5.705 5.587 -1.833 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 15 -ATOM 23639 H HG23 . VAL A 1 76 ? 6.780 5.397 -3.216 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 15 -ATOM 23640 N N . PHE A 1 77 ? 5.440 0.519 -4.076 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 15 -ATOM 23641 C CA . PHE A 1 77 ? 4.739 -0.570 -4.692 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 15 -ATOM 23642 C C . PHE A 1 77 ? 3.712 -1.141 -3.719 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 15 -ATOM 23643 O O . PHE A 1 77 ? 4.076 -1.723 -2.694 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 15 -ATOM 23644 C CB . PHE A 1 77 ? 5.783 -1.623 -5.095 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 15 -ATOM 23645 C CG . PHE A 1 77 ? 5.275 -2.800 -5.871 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 15 -ATOM 23646 C CD1 . PHE A 1 77 ? 4.938 -2.670 -7.208 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 15 -ATOM 23647 C CD2 . PHE A 1 77 ? 5.177 -4.046 -5.275 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 15 -ATOM 23648 C CE1 . PHE A 1 77 ? 4.510 -3.757 -7.935 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 15 -ATOM 23649 C CE2 . PHE A 1 77 ? 4.745 -5.139 -5.997 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 15 -ATOM 23650 C CZ . PHE A 1 77 ? 4.414 -4.993 -7.331 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 15 -ATOM 23651 H H . PHE A 1 77 ? 6.060 0.311 -3.341 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 15 -ATOM 23652 H HA . PHE A 1 77 ? 4.245 -0.211 -5.583 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 15 -ATOM 23653 H HB2 . PHE A 1 77 ? 6.536 -1.146 -5.703 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 15 -ATOM 23654 H HB3 . PHE A 1 77 ? 6.258 -1.992 -4.198 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 15 -ATOM 23655 H HD1 . PHE A 1 77 ? 5.013 -1.702 -7.679 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 15 -ATOM 23656 H HD2 . PHE A 1 77 ? 5.434 -4.157 -4.232 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 15 -ATOM 23657 H HE1 . PHE A 1 77 ? 4.250 -3.644 -8.977 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 15 -ATOM 23658 H HE2 . PHE A 1 77 ? 4.670 -6.108 -5.523 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 15 -ATOM 23659 H HZ . PHE A 1 77 ? 4.078 -5.847 -7.901 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 15 -ATOM 23660 N N . VAL A 1 78 ? 2.446 -0.935 -4.014 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 15 -ATOM 23661 C CA . VAL A 1 78 ? 1.362 -1.440 -3.178 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 15 -ATOM 23662 C C . VAL A 1 78 ? 1.202 -2.919 -3.428 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 15 -ATOM 23663 O O . VAL A 1 78 ? 0.960 -3.320 -4.556 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 15 -ATOM 23664 C CB . VAL A 1 78 ? 0.018 -0.714 -3.473 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 15 -ATOM 23665 C CG1 . VAL A 1 78 ? -1.110 -1.259 -2.602 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 15 -ATOM 23666 C CG2 . VAL A 1 78 ? 0.165 0.789 -3.279 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 15 -ATOM 23667 H H . VAL A 1 78 ? 2.226 -0.442 -4.837 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 15 -ATOM 23668 H HA . VAL A 1 78 ? 1.632 -1.290 -2.143 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 15 -ATOM 23669 H HB . VAL A 1 78 ? -0.244 -0.898 -4.505 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 15 -ATOM 23670 H HG11 . VAL A 1 78 ? -1.252 -2.308 -2.814 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 15 -ATOM 23671 H HG12 . VAL A 1 78 ? -2.025 -0.724 -2.804 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 15 -ATOM 23672 H HG13 . VAL A 1 78 ? -0.850 -1.142 -1.559 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 15 -ATOM 23673 H HG21 . VAL A 1 78 ? -0.782 1.271 -3.474 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 15 -ATOM 23674 H HG22 . VAL A 1 78 ? 0.908 1.165 -3.967 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 15 -ATOM 23675 H HG23 . VAL A 1 78 ? 0.478 1.000 -2.267 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 15 -ATOM 23676 N N . ILE A 1 79 ? 1.331 -3.714 -2.383 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 15 -ATOM 23677 C CA . ILE A 1 79 ? 1.277 -5.162 -2.524 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 15 -ATOM 23678 C C . ILE A 1 79 ? -0.115 -5.670 -2.172 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 15 -ATOM 23679 O O . ILE A 1 79 ? -0.670 -6.542 -2.839 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 15 -ATOM 23680 C CB . ILE A 1 79 ? 2.286 -5.861 -1.570 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 15 -ATOM 23681 C CG1 . ILE A 1 79 ? 3.675 -5.222 -1.670 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 15 -ATOM 23682 C CG2 . ILE A 1 79 ? 2.376 -7.358 -1.901 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 15 -ATOM 23683 C CD1 . ILE A 1 79 ? 4.663 -5.764 -0.655 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 15 -ATOM 23684 H H . ILE A 1 79 ? 1.456 -3.322 -1.492 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 15 -ATOM 23685 H HA . ILE A 1 79 ? 1.520 -5.427 -3.542 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 15 -ATOM 23686 H HB . ILE A 1 79 ? 1.921 -5.760 -0.558 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 15 -ATOM 23687 H HG12 . ILE A 1 79 ? 4.081 -5.406 -2.654 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 15 -ATOM 23688 H HG13 . ILE A 1 79 ? 3.589 -4.156 -1.518 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 15 -ATOM 23689 H HG21 . ILE A 1 79 ? 2.678 -7.482 -2.932 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 15 -ATOM 23690 H HG22 . ILE A 1 79 ? 1.416 -7.827 -1.748 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 15 -ATOM 23691 H HG23 . ILE A 1 79 ? 3.113 -7.819 -1.259 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 15 -ATOM 23692 H HD11 . ILE A 1 79 ? 5.618 -5.281 -0.792 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 15 -ATOM 23693 H HD12 . ILE A 1 79 ? 4.773 -6.830 -0.795 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 15 -ATOM 23694 H HD13 . ILE A 1 79 ? 4.300 -5.569 0.343 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 15 -ATOM 23695 N N . SER A 1 80 ? -0.683 -5.128 -1.124 1.00 0.00 ? ? ? ? ? ? 77 SER A N 15 -ATOM 23696 C CA . SER A 1 80 ? -1.959 -5.591 -0.647 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 15 -ATOM 23697 C C . SER A 1 80 ? -2.791 -4.422 -0.157 1.00 0.00 ? ? ? ? ? ? 77 SER A C 15 -ATOM 23698 O O . SER A 1 80 ? -2.252 -3.433 0.329 1.00 0.00 ? ? ? ? ? ? 77 SER A O 15 -ATOM 23699 C CB . SER A 1 80 ? -1.743 -6.605 0.481 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 15 -ATOM 23700 O OG . SER A 1 80 ? -0.912 -7.667 0.036 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 15 -ATOM 23701 H H . SER A 1 80 ? -0.258 -4.384 -0.643 1.00 0.00 ? ? ? ? ? ? 77 SER A H 15 -ATOM 23702 H HA . SER A 1 80 ? -2.471 -6.083 -1.461 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 15 -ATOM 23703 H HB2 . SER A 1 80 ? -1.268 -6.117 1.320 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 15 -ATOM 23704 H HB3 . SER A 1 80 ? -2.695 -7.012 0.789 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 15 -ATOM 23705 H HG . SER A 1 80 ? -0.760 -7.545 -0.909 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 15 -ATOM 23706 N N . VAL A 1 81 ? -4.077 -4.523 -0.315 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 15 -ATOM 23707 C CA . VAL A 1 81 ? -4.984 -3.499 0.109 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 15 -ATOM 23708 C C . VAL A 1 81 ? -6.302 -4.150 0.503 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 15 -ATOM 23709 O O . VAL A 1 81 ? -6.689 -5.158 -0.088 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 15 -ATOM 23710 C CB . VAL A 1 81 ? -5.188 -2.421 -1.018 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 15 -ATOM 23711 C CG1 . VAL A 1 81 ? -5.727 -3.027 -2.300 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 15 -ATOM 23712 C CG2 . VAL A 1 81 ? -6.078 -1.292 -0.553 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 15 -ATOM 23713 H H . VAL A 1 81 ? -4.486 -5.319 -0.720 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 15 -ATOM 23714 H HA . VAL A 1 81 ? -4.558 -3.024 0.980 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 15 -ATOM 23715 H HB . VAL A 1 81 ? -4.215 -2.012 -1.245 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 15 -ATOM 23716 H HG11 . VAL A 1 81 ? -5.038 -3.778 -2.661 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 15 -ATOM 23717 H HG12 . VAL A 1 81 ? -5.836 -2.254 -3.046 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 15 -ATOM 23718 H HG13 . VAL A 1 81 ? -6.687 -3.481 -2.108 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 15 -ATOM 23719 H HG21 . VAL A 1 81 ? -7.051 -1.680 -0.290 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 15 -ATOM 23720 H HG22 . VAL A 1 81 ? -6.176 -0.565 -1.346 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 15 -ATOM 23721 H HG23 . VAL A 1 81 ? -5.632 -0.821 0.311 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 15 -ATOM 23722 N N . GLY A 1 82 ? -6.928 -3.649 1.535 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 15 -ATOM 23723 C CA . GLY A 1 82 ? -8.206 -4.158 1.917 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 15 -ATOM 23724 C C . GLY A 1 82 ? -8.446 -4.043 3.391 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 15 -ATOM 23725 O O . GLY A 1 82 ? -8.488 -2.940 3.935 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 15 -ATOM 23726 H H . GLY A 1 82 ? -6.525 -2.940 2.087 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 15 -ATOM 23727 H HA2 . GLY A 1 82 ? -8.962 -3.587 1.398 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 15 -ATOM 23728 H HA3 . GLY A 1 82 ? -8.293 -5.190 1.615 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 15 -ATOM 23729 N N . LYS A 1 83 ? -8.567 -5.153 4.053 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 15 -ATOM 23730 C CA . LYS A 1 83 ? -8.895 -5.160 5.452 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 15 -ATOM 23731 C C . LYS A 1 83 ? -8.060 -6.171 6.185 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 15 -ATOM 23732 O O . LYS A 1 83 ? -7.652 -7.185 5.630 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 15 -ATOM 23733 C CB . LYS A 1 83 ? -10.387 -5.476 5.658 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 15 -ATOM 23734 C CG . LYS A 1 83 ? -11.333 -4.430 5.081 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 15 -ATOM 23735 C CD . LYS A 1 83 ? -12.792 -4.845 5.178 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 15 -ATOM 23736 C CE . LYS A 1 83 ? -13.248 -5.015 6.616 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 15 -ATOM 23737 N NZ . LYS A 1 83 ? -14.667 -5.426 6.701 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 15 -ATOM 23738 H H . LYS A 1 83 ? -8.395 -6.017 3.615 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 15 -ATOM 23739 H HA . LYS A 1 83 ? -8.699 -4.176 5.848 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 15 -ATOM 23740 H HB2 . LYS A 1 83 ? -10.605 -6.424 5.191 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 15 -ATOM 23741 H HB3 . LYS A 1 83 ? -10.570 -5.556 6.719 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 15 -ATOM 23742 H HG2 . LYS A 1 83 ? -11.203 -3.506 5.627 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 15 -ATOM 23743 H HG3 . LYS A 1 83 ? -11.078 -4.268 4.044 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 15 -ATOM 23744 H HD2 . LYS A 1 83 ? -13.395 -4.084 4.709 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 15 -ATOM 23745 H HD3 . LYS A 1 83 ? -12.932 -5.777 4.651 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 15 -ATOM 23746 H HE2 . LYS A 1 83 ? -12.643 -5.779 7.080 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 15 -ATOM 23747 H HE3 . LYS A 1 83 ? -13.112 -4.080 7.139 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 15 -ATOM 23748 H HZ1 . LYS A 1 83 ? -15.295 -4.727 6.252 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 15 -ATOM 23749 H HZ2 . LYS A 1 83 ? -14.953 -5.516 7.696 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 15 -ATOM 23750 H HZ3 . LYS A 1 83 ? -14.813 -6.348 6.245 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 15 -ATOM 23751 N N . ALA A 1 84 ? -7.790 -5.892 7.416 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 15 -ATOM 23752 C CA . ALA A 1 84 ? -7.081 -6.804 8.229 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 15 -ATOM 23753 C C . ALA A 1 84 ? -8.040 -7.407 9.214 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 15 -ATOM 23754 O O . ALA A 1 84 ? -8.313 -6.830 10.279 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 15 -ATOM 23755 C CB . ALA A 1 84 ? -5.911 -6.139 8.927 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 15 -ATOM 23756 H H . ALA A 1 84 ? -8.106 -5.045 7.800 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 15 -ATOM 23757 H HA . ALA A 1 84 ? -6.707 -7.589 7.588 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 15 -ATOM 23758 H HB1 . ALA A 1 84 ? -5.367 -6.870 9.509 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 15 -ATOM 23759 H HB2 . ALA A 1 84 ? -6.280 -5.360 9.577 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 15 -ATOM 23760 H HB3 . ALA A 1 84 ? -5.256 -5.705 8.184 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 15 -ATOM 23761 N N . GLU A 1 85 ? -8.620 -8.510 8.829 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 15 -ATOM 23762 C CA . GLU A 1 85 ? -9.536 -9.231 9.681 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 15 -ATOM 23763 C C . GLU A 1 85 ? -8.708 -9.940 10.740 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 15 -ATOM 23764 O O . GLU A 1 85 ? -9.011 -9.910 11.935 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 15 -ATOM 23765 C CB . GLU A 1 85 ? -10.421 -10.225 8.867 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 15 -ATOM 23766 C CG . GLU A 1 85 ? -9.700 -11.423 8.226 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 15 -ATOM 23767 C CD . GLU A 1 85 ? -8.654 -11.041 7.205 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 15 -ATOM 23768 O OE1 . GLU A 1 85 ? -7.467 -10.821 7.594 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 15 -ATOM 23769 O OE2 . GLU A 1 85 ? -8.997 -10.940 6.018 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 15 -ATOM 23770 H H . GLU A 1 85 ? -8.408 -8.873 7.940 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 15 -ATOM 23771 H HA . GLU A 1 85 ? -10.161 -8.505 10.178 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 15 -ATOM 23772 H HB2 . GLU A 1 85 ? -11.185 -10.619 9.520 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 15 -ATOM 23773 H HB3 . GLU A 1 85 ? -10.909 -9.667 8.080 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 15 -ATOM 23774 H HG2 . GLU A 1 85 ? -9.201 -11.954 9.022 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 15 -ATOM 23775 H HG3 . GLU A 1 85 ? -10.434 -12.064 7.765 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 15 -ATOM 23776 N N . ALA A 1 86 ? -7.627 -10.506 10.286 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 15 -ATOM 23777 C CA . ALA A 1 86 ? -6.669 -11.130 11.114 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 15 -ATOM 23778 C C . ALA A 1 86 ? -5.306 -10.824 10.563 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 15 -ATOM 23779 O O . ALA A 1 86 ? -4.555 -10.060 11.164 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 15 -ATOM 23780 C CB . ALA A 1 86 ? -6.899 -12.630 11.194 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 15 -ATOM 23781 H H . ALA A 1 86 ? -7.485 -10.506 9.308 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 15 -ATOM 23782 H HA . ALA A 1 86 ? -6.753 -10.708 12.105 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 15 -ATOM 23783 H HB1 . ALA A 1 86 ? -7.888 -12.824 11.584 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 15 -ATOM 23784 H HB2 . ALA A 1 86 ? -6.161 -13.077 11.844 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 15 -ATOM 23785 H HB3 . ALA A 1 86 ? -6.809 -13.055 10.207 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 15 -ATOM 23786 N N . SER A 1 87 ? -4.999 -11.346 9.381 1.00 0.00 ? ? ? ? ? ? 84 SER A N 15 -ATOM 23787 C CA . SER A 1 87 ? -3.675 -11.158 8.818 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 15 -ATOM 23788 C C . SER A 1 87 ? -3.652 -11.223 7.277 1.00 0.00 ? ? ? ? ? ? 84 SER A C 15 -ATOM 23789 O O . SER A 1 87 ? -2.580 -11.388 6.712 1.00 0.00 ? ? ? ? ? ? 84 SER A O 15 -ATOM 23790 C CB . SER A 1 87 ? -2.707 -12.222 9.379 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 15 -ATOM 23791 O OG . SER A 1 87 ? -2.657 -12.199 10.809 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 15 -ATOM 23792 H H . SER A 1 87 ? -5.674 -11.857 8.883 1.00 0.00 ? ? ? ? ? ? 84 SER A H 15 -ATOM 23793 H HA . SER A 1 87 ? -3.318 -10.192 9.138 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 15 -ATOM 23794 H HB2 . SER A 1 87 ? -3.035 -13.203 9.065 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 15 -ATOM 23795 H HB3 . SER A 1 87 ? -1.715 -12.037 8.993 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 15 -ATOM 23796 H HG . SER A 1 87 ? -2.674 -11.278 11.107 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 15 -ATOM 23797 N N . GLU A 1 88 ? -4.793 -11.024 6.593 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 15 -ATOM 23798 C CA . GLU A 1 88 ? -4.818 -11.140 5.109 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 15 -ATOM 23799 C C . GLU A 1 88 ? -3.831 -10.184 4.446 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 15 -ATOM 23800 O O . GLU A 1 88 ? -3.093 -10.574 3.528 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 15 -ATOM 23801 C CB . GLU A 1 88 ? -6.213 -10.898 4.552 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 15 -ATOM 23802 C CG . GLU A 1 88 ? -6.315 -11.084 3.044 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 15 -ATOM 23803 C CD . GLU A 1 88 ? -7.722 -10.971 2.533 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 15 -ATOM 23804 O OE1 . GLU A 1 88 ? -8.171 -9.856 2.216 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 15 -ATOM 23805 O OE2 . GLU A 1 88 ? -8.407 -12.011 2.419 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 15 -ATOM 23806 H H . GLU A 1 88 ? -5.651 -10.832 7.043 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 15 -ATOM 23807 H HA . GLU A 1 88 ? -4.517 -12.149 4.868 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 15 -ATOM 23808 H HB2 . GLU A 1 88 ? -6.899 -11.572 5.040 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 15 -ATOM 23809 H HB3 . GLU A 1 88 ? -6.502 -9.884 4.789 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 15 -ATOM 23810 H HG2 . GLU A 1 88 ? -5.714 -10.328 2.560 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 15 -ATOM 23811 H HG3 . GLU A 1 88 ? -5.927 -12.059 2.792 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 15 -ATOM 23812 N N . VAL A 1 89 ? -3.779 -8.957 4.950 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 15 -ATOM 23813 C CA . VAL A 1 89 ? -2.864 -7.941 4.428 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 15 -ATOM 23814 C C . VAL A 1 89 ? -1.388 -8.335 4.616 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 15 -ATOM 23815 O O . VAL A 1 89 ? -0.515 -7.813 3.948 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 15 -ATOM 23816 C CB . VAL A 1 89 ? -3.125 -6.534 5.039 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 15 -ATOM 23817 C CG1 . VAL A 1 89 ? -4.508 -6.028 4.652 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 15 -ATOM 23818 C CG2 . VAL A 1 89 ? -2.968 -6.549 6.559 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 15 -ATOM 23819 H H . VAL A 1 89 ? -4.400 -8.729 5.672 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 15 -ATOM 23820 H HA . VAL A 1 89 ? -3.047 -7.888 3.364 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 15 -ATOM 23821 H HB . VAL A 1 89 ? -2.398 -5.853 4.624 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 15 -ATOM 23822 H HG11 . VAL A 1 89 ? -4.670 -5.055 5.091 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 15 -ATOM 23823 H HG12 . VAL A 1 89 ? -5.255 -6.714 5.021 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 15 -ATOM 23824 H HG13 . VAL A 1 89 ? -4.579 -5.956 3.577 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 15 -ATOM 23825 H HG21 . VAL A 1 89 ? -1.966 -6.864 6.814 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 15 -ATOM 23826 H HG22 . VAL A 1 89 ? -3.679 -7.240 6.988 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 15 -ATOM 23827 H HG23 . VAL A 1 89 ? -3.144 -5.557 6.950 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 15 -ATOM 23828 N N . TYR A 1 90 ? -1.129 -9.256 5.527 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 15 -ATOM 23829 C CA . TYR A 1 90 ? 0.215 -9.739 5.739 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 15 -ATOM 23830 C C . TYR A 1 90 ? 0.466 -10.952 4.879 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 15 -ATOM 23831 O O . TYR A 1 90 ? 1.519 -11.077 4.298 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 15 -ATOM 23832 C CB . TYR A 1 90 ? 0.479 -10.100 7.197 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 15 -ATOM 23833 C CG . TYR A 1 90 ? 0.496 -8.940 8.158 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 15 -ATOM 23834 C CD1 . TYR A 1 90 ? 1.638 -8.169 8.312 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 15 -ATOM 23835 C CD2 . TYR A 1 90 ? -0.608 -8.634 8.935 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 15 -ATOM 23836 C CE1 . TYR A 1 90 ? 1.678 -7.124 9.206 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 15 -ATOM 23837 C CE2 . TYR A 1 90 ? -0.576 -7.594 9.839 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 15 -ATOM 23838 C CZ . TYR A 1 90 ? 0.571 -6.841 9.972 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 15 -ATOM 23839 O OH . TYR A 1 90 ? 0.613 -5.815 10.895 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 15 -ATOM 23840 H H . TYR A 1 90 ? -1.866 -9.649 6.041 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 15 -ATOM 23841 H HA . TYR A 1 90 ? 0.897 -8.957 5.442 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 15 -ATOM 23842 H HB2 . TYR A 1 90 ? -0.281 -10.791 7.529 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 15 -ATOM 23843 H HB3 . TYR A 1 90 ? 1.437 -10.596 7.255 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 15 -ATOM 23844 H HD1 . TYR A 1 90 ? 2.505 -8.392 7.708 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 15 -ATOM 23845 H HD2 . TYR A 1 90 ? -1.504 -9.226 8.825 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 15 -ATOM 23846 H HE1 . TYR A 1 90 ? 2.579 -6.538 9.302 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 15 -ATOM 23847 H HE2 . TYR A 1 90 ? -1.447 -7.370 10.436 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 15 -ATOM 23848 H HH . TYR A 1 90 ? 0.274 -6.209 11.710 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 15 -ATOM 23849 N N . SER A 1 91 ? -0.530 -11.825 4.794 1.00 0.00 ? ? ? ? ? ? 88 SER A N 15 -ATOM 23850 C CA . SER A 1 91 ? -0.439 -13.072 4.047 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 15 -ATOM 23851 C C . SER A 1 91 ? -0.080 -12.835 2.581 1.00 0.00 ? ? ? ? ? ? 88 SER A C 15 -ATOM 23852 O O . SER A 1 91 ? 0.892 -13.403 2.072 1.00 0.00 ? ? ? ? ? ? 88 SER A O 15 -ATOM 23853 C CB . SER A 1 91 ? -1.767 -13.812 4.153 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 15 -ATOM 23854 O OG . SER A 1 91 ? -2.107 -14.028 5.518 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 15 -ATOM 23855 H H . SER A 1 91 ? -1.372 -11.641 5.266 1.00 0.00 ? ? ? ? ? ? 88 SER A H 15 -ATOM 23856 H HA . SER A 1 91 ? 0.324 -13.683 4.504 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 15 -ATOM 23857 H HB2 . SER A 1 91 ? -2.543 -13.221 3.690 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 15 -ATOM 23858 H HB3 . SER A 1 91 ? -1.694 -14.766 3.653 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 15 -ATOM 23859 H HG . SER A 1 91 ? -1.303 -13.881 6.039 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 15 -ATOM 23860 N N . GLU A 1 92 ? -0.821 -11.952 1.938 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 15 -ATOM 23861 C CA . GLU A 1 92 ? -0.609 -11.655 0.533 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 15 -ATOM 23862 C C . GLU A 1 92 ? 0.740 -10.982 0.306 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 15 -ATOM 23863 O O . GLU A 1 92 ? 1.363 -11.141 -0.748 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 15 -ATOM 23864 C CB . GLU A 1 92 ? -1.744 -10.785 0.005 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 15 -ATOM 23865 C CG . GLU A 1 92 ? -3.100 -11.464 0.033 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 15 -ATOM 23866 C CD . GLU A 1 92 ? -3.117 -12.705 -0.817 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 15 -ATOM 23867 O OE1 . GLU A 1 92 ? -2.958 -12.593 -2.040 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 15 -ATOM 23868 O OE2 . GLU A 1 92 ? -3.265 -13.831 -0.280 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 15 -ATOM 23869 H H . GLU A 1 92 ? -1.536 -11.479 2.417 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 15 -ATOM 23870 H HA . GLU A 1 92 ? -0.615 -12.592 -0.003 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 15 -ATOM 23871 H HB2 . GLU A 1 92 ? -1.800 -9.888 0.604 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 15 -ATOM 23872 H HB3 . GLU A 1 92 ? -1.522 -10.510 -1.016 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 15 -ATOM 23873 H HG2 . GLU A 1 92 ? -3.333 -11.740 1.050 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 15 -ATOM 23874 H HG3 . GLU A 1 92 ? -3.849 -10.778 -0.334 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 15 -ATOM 23875 N N . ALA A 1 93 ? 1.198 -10.267 1.306 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 15 -ATOM 23876 C CA . ALA A 1 93 ? 2.450 -9.567 1.222 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 15 -ATOM 23877 C C . ALA A 1 93 ? 3.622 -10.508 1.478 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 15 -ATOM 23878 O O . ALA A 1 93 ? 4.569 -10.551 0.700 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 15 -ATOM 23879 C CB . ALA A 1 93 ? 2.474 -8.392 2.190 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 15 -ATOM 23880 H H . ALA A 1 93 ? 0.667 -10.220 2.127 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 15 -ATOM 23881 H HA . ALA A 1 93 ? 2.536 -9.179 0.218 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 15 -ATOM 23882 H HB1 . ALA A 1 93 ? 3.394 -7.840 2.058 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 15 -ATOM 23883 H HB2 . ALA A 1 93 ? 2.415 -8.758 3.204 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 15 -ATOM 23884 H HB3 . ALA A 1 93 ? 1.632 -7.745 1.988 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 15 -ATOM 23885 N N . VAL A 1 94 ? 3.536 -11.301 2.539 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 15 -ATOM 23886 C CA . VAL A 1 94 ? 4.624 -12.191 2.920 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 15 -ATOM 23887 C C . VAL A 1 94 ? 4.855 -13.268 1.858 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 15 -ATOM 23888 O O . VAL A 1 94 ? 5.990 -13.605 1.565 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 15 -ATOM 23889 C CB . VAL A 1 94 ? 4.447 -12.818 4.349 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 15 -ATOM 23890 C CG1 . VAL A 1 94 ? 3.296 -13.816 4.422 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 15 -ATOM 23891 C CG2 . VAL A 1 94 ? 5.751 -13.437 4.846 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 15 -ATOM 23892 H H . VAL A 1 94 ? 2.718 -11.278 3.088 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 15 -ATOM 23893 H HA . VAL A 1 94 ? 5.511 -11.573 2.925 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 15 -ATOM 23894 H HB . VAL A 1 94 ? 4.193 -12.006 5.016 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 15 -ATOM 23895 H HG11 . VAL A 1 94 ? 2.377 -13.317 4.153 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 15 -ATOM 23896 H HG12 . VAL A 1 94 ? 3.217 -14.204 5.427 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 15 -ATOM 23897 H HG13 . VAL A 1 94 ? 3.478 -14.628 3.734 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 15 -ATOM 23898 H HG21 . VAL A 1 94 ? 5.595 -13.877 5.820 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 15 -ATOM 23899 H HG22 . VAL A 1 94 ? 6.509 -12.671 4.913 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 15 -ATOM 23900 H HG23 . VAL A 1 94 ? 6.072 -14.197 4.150 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 15 -ATOM 23901 N N . LYS A 1 95 ? 3.778 -13.725 1.218 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 15 -ATOM 23902 C CA . LYS A 1 95 ? 3.869 -14.729 0.150 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 15 -ATOM 23903 C C . LYS A 1 95 ? 4.524 -14.169 -1.107 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 15 -ATOM 23904 O O . LYS A 1 95 ? 4.822 -14.903 -2.058 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 15 -ATOM 23905 C CB . LYS A 1 95 ? 2.508 -15.354 -0.177 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 15 -ATOM 23906 C CG . LYS A 1 95 ? 1.949 -16.262 0.913 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 15 -ATOM 23907 C CD . LYS A 1 95 ? 2.872 -17.442 1.179 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 15 -ATOM 23908 C CE . LYS A 1 95 ? 2.263 -18.411 2.168 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 15 -ATOM 23909 N NZ . LYS A 1 95 ? 3.163 -19.551 2.441 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 15 -ATOM 23910 H H . LYS A 1 95 ? 2.890 -13.389 1.479 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 15 -ATOM 23911 H HA . LYS A 1 95 ? 4.524 -15.504 0.521 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 15 -ATOM 23912 H HB2 . LYS A 1 95 ? 1.797 -14.560 -0.350 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 15 -ATOM 23913 H HB3 . LYS A 1 95 ? 2.607 -15.933 -1.083 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 15 -ATOM 23914 H HG2 . LYS A 1 95 ? 1.838 -15.697 1.826 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 15 -ATOM 23915 H HG3 . LYS A 1 95 ? 0.986 -16.638 0.602 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 15 -ATOM 23916 H HD2 . LYS A 1 95 ? 3.055 -17.964 0.252 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 15 -ATOM 23917 H HD3 . LYS A 1 95 ? 3.809 -17.081 1.581 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 15 -ATOM 23918 H HE2 . LYS A 1 95 ? 2.054 -17.892 3.091 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 15 -ATOM 23919 H HE3 . LYS A 1 95 ? 1.339 -18.785 1.751 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 15 -ATOM 23920 H HZ1 . LYS A 1 95 ? 4.062 -19.222 2.848 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 15 -ATOM 23921 H HZ2 . LYS A 1 95 ? 3.401 -20.069 1.573 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 15 -ATOM 23922 H HZ3 . LYS A 1 95 ? 2.736 -20.222 3.110 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 15 -ATOM 23923 N N . ARG A 1 96 ? 4.703 -12.873 -1.143 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 15 -ATOM 23924 C CA . ARG A 1 96 ? 5.368 -12.244 -2.247 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 15 -ATOM 23925 C C . ARG A 1 96 ? 6.878 -12.201 -1.987 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 15 -ATOM 23926 O O . ARG A 1 96 ? 7.679 -12.179 -2.917 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 15 -ATOM 23927 C CB . ARG A 1 96 ? 4.814 -10.841 -2.460 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 15 -ATOM 23928 C CG . ARG A 1 96 ? 5.324 -10.150 -3.705 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 15 -ATOM 23929 C CD . ARG A 1 96 ? 5.003 -10.970 -4.943 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 15 -ATOM 23930 N NE . ARG A 1 96 ? 5.175 -10.189 -6.146 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 15 -ATOM 23931 C CZ . ARG A 1 96 ? 4.187 -9.491 -6.701 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 15 -ATOM 23932 N NH1 . ARG A 1 96 ? 2.936 -9.623 -6.244 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 15 -ATOM 23933 N NH2 . ARG A 1 96 ? 4.423 -8.686 -7.713 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 15 -ATOM 23934 H H . ARG A 1 96 ? 4.371 -12.324 -0.399 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 15 -ATOM 23935 H HA . ARG A 1 96 ? 5.178 -12.837 -3.128 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 15 -ATOM 23936 H HB2 . ARG A 1 96 ? 3.738 -10.899 -2.525 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 15 -ATOM 23937 H HB3 . ARG A 1 96 ? 5.073 -10.234 -1.605 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 15 -ATOM 23938 H HG2 . ARG A 1 96 ? 4.854 -9.182 -3.791 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 15 -ATOM 23939 H HG3 . ARG A 1 96 ? 6.395 -10.031 -3.630 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 15 -ATOM 23940 H HD2 . ARG A 1 96 ? 5.673 -11.815 -4.978 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 15 -ATOM 23941 H HD3 . ARG A 1 96 ? 3.984 -11.321 -4.886 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 15 -ATOM 23942 H HE . ARG A 1 96 ? 6.089 -10.167 -6.512 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 15 -ATOM 23943 H HH11 . ARG A 1 96 ? 2.664 -10.231 -5.500 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 15 -ATOM 23944 H HH12 . ARG A 1 96 ? 2.191 -9.050 -6.625 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 15 -ATOM 23945 H HH21 . ARG A 1 96 ? 5.330 -8.556 -8.123 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 15 -ATOM 23946 H HH22 . ARG A 1 96 ? 3.646 -8.137 -8.059 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 15 -ATOM 23947 N N . ILE A 1 97 ? 7.251 -12.199 -0.725 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 15 -ATOM 23948 C CA . ILE A 1 97 ? 8.653 -12.172 -0.344 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 15 -ATOM 23949 C C . ILE A 1 97 ? 9.166 -13.598 -0.122 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 15 -ATOM 23950 O O . ILE A 1 97 ? 10.279 -13.948 -0.545 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 15 -ATOM 23951 C CB . ILE A 1 97 ? 8.932 -11.258 0.925 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 15 -ATOM 23952 C CG1 . ILE A 1 97 ? 8.817 -9.742 0.600 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 15 -ATOM 23953 C CG2 . ILE A 1 97 ? 10.301 -11.540 1.543 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 15 -ATOM 23954 C CD1 . ILE A 1 97 ? 7.439 -9.236 0.244 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 15 -ATOM 23955 H H . ILE A 1 97 ? 6.563 -12.235 -0.027 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 15 -ATOM 23956 H HA . ILE A 1 97 ? 9.191 -11.765 -1.189 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 15 -ATOM 23957 H HB . ILE A 1 97 ? 8.187 -11.505 1.668 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 15 -ATOM 23958 H HG12 . ILE A 1 97 ? 9.146 -9.179 1.462 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 15 -ATOM 23959 H HG13 . ILE A 1 97 ? 9.478 -9.519 -0.224 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 15 -ATOM 23960 H HG21 . ILE A 1 97 ? 11.070 -11.346 0.811 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 15 -ATOM 23961 H HG22 . ILE A 1 97 ? 10.351 -12.573 1.855 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 15 -ATOM 23962 H HG23 . ILE A 1 97 ? 10.449 -10.899 2.399 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 15 -ATOM 23963 H HD11 . ILE A 1 97 ? 7.487 -8.176 0.041 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 15 -ATOM 23964 H HD12 . ILE A 1 97 ? 6.766 -9.417 1.070 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 15 -ATOM 23965 H HD13 . ILE A 1 97 ? 7.082 -9.757 -0.632 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 15 -ATOM 23966 N N . LEU A 1 98 ? 8.361 -14.417 0.520 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 15 -ATOM 23967 C CA . LEU A 1 98 ? 8.712 -15.784 0.779 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 15 -ATOM 23968 C C . LEU A 1 98 ? 7.422 -16.581 0.960 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 15 -ATOM 23969 O O . LEU A 1 98 ? 6.908 -16.675 2.088 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 15 -ATOM 23970 C CB . LEU A 1 98 ? 9.651 -15.875 2.018 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 15 -ATOM 23971 C CG . LEU A 1 98 ? 10.450 -17.187 2.225 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 15 -ATOM 23972 C CD1 . LEU A 1 98 ? 11.537 -16.966 3.255 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 15 -ATOM 23973 C CD2 . LEU A 1 98 ? 9.564 -18.339 2.680 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 15 -ATOM 23974 O OXT . LEU A 1 98 ? 6.913 -17.110 -0.047 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 15 -ATOM 23975 H H . LEU A 1 98 ? 7.477 -14.123 0.841 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 15 -ATOM 23976 H HA . LEU A 1 98 ? 9.224 -16.163 -0.093 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 15 -ATOM 23977 H HB2 . LEU A 1 98 ? 10.362 -15.066 1.947 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 15 -ATOM 23978 H HB3 . LEU A 1 98 ? 9.045 -15.710 2.897 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 15 -ATOM 23979 H HG . LEU A 1 98 ? 10.923 -17.458 1.294 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 15 -ATOM 23980 H HD11 . LEU A 1 98 ? 11.084 -16.672 4.190 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 15 -ATOM 23981 H HD12 . LEU A 1 98 ? 12.204 -16.186 2.916 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 15 -ATOM 23982 H HD13 . LEU A 1 98 ? 12.093 -17.880 3.395 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 15 -ATOM 23983 H HD21 . LEU A 1 98 ? 10.162 -19.230 2.797 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 15 -ATOM 23984 H HD22 . LEU A 1 98 ? 8.796 -18.518 1.940 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 15 -ATOM 23985 H HD23 . LEU A 1 98 ? 9.102 -18.089 3.624 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 15 -ATOM 23986 N N . MET A 1 4 ? 10.549 14.056 -0.148 1.00 0.00 ? ? ? ? ? ? 1 MET A N 16 -ATOM 23987 C CA . MET A 1 4 ? 11.078 13.212 -1.219 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 16 -ATOM 23988 C C . MET A 1 4 ? 9.974 12.393 -1.792 1.00 0.00 ? ? ? ? ? ? 1 MET A C 16 -ATOM 23989 O O . MET A 1 4 ? 9.339 11.616 -1.085 1.00 0.00 ? ? ? ? ? ? 1 MET A O 16 -ATOM 23990 C CB . MET A 1 4 ? 12.202 12.310 -0.722 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 16 -ATOM 23991 C CG . MET A 1 4 ? 12.716 11.300 -1.747 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 16 -ATOM 23992 S SD . MET A 1 4 ? 13.369 12.075 -3.238 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 16 -ATOM 23993 C CE . MET A 1 4 ? 13.811 10.620 -4.195 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 16 -ATOM 23994 H H . MET A 1 4 ? 11.275 14.613 0.343 1.00 0.00 ? ? ? ? ? ? 1 MET A H 16 -ATOM 23995 H HA . MET A 1 4 ? 11.455 13.864 -1.992 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 16 -ATOM 23996 H HB2 . MET A 1 4 ? 13.027 12.957 -0.469 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 16 -ATOM 23997 H HB3 . MET A 1 4 ? 11.848 11.780 0.147 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 16 -ATOM 23998 H HG2 . MET A 1 4 ? 13.501 10.713 -1.294 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 16 -ATOM 23999 H HG3 . MET A 1 4 ? 11.901 10.649 -2.025 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 16 -ATOM 24000 H HE1 . MET A 1 4 ? 14.233 10.925 -5.142 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 16 -ATOM 24001 H HE2 . MET A 1 4 ? 12.927 10.026 -4.371 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 16 -ATOM 24002 H HE3 . MET A 1 4 ? 14.537 10.036 -3.649 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 16 -ATOM 24003 N N . ALA A 1 5 ? 9.778 12.540 -3.056 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 16 -ATOM 24004 C CA . ALA A 1 5 ? 8.699 11.884 -3.738 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 16 -ATOM 24005 C C . ALA A 1 5 ? 9.174 10.634 -4.421 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 16 -ATOM 24006 O O . ALA A 1 5 ? 10.319 10.554 -4.884 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 16 -ATOM 24007 C CB . ALA A 1 5 ? 8.040 12.815 -4.740 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 16 -ATOM 24008 H H . ALA A 1 5 ? 10.426 13.091 -3.543 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 16 -ATOM 24009 H HA . ALA A 1 5 ? 7.960 11.614 -2.998 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 16 -ATOM 24010 H HB1 . ALA A 1 5 ? 8.743 13.057 -5.523 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 16 -ATOM 24011 H HB2 . ALA A 1 5 ? 7.727 13.721 -4.242 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 16 -ATOM 24012 H HB3 . ALA A 1 5 ? 7.178 12.323 -5.168 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 16 -ATOM 24013 N N . TYR A 1 6 ? 8.312 9.672 -4.470 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 16 -ATOM 24014 C CA . TYR A 1 6 ? 8.574 8.409 -5.112 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 16 -ATOM 24015 C C . TYR A 1 6 ? 7.477 8.186 -6.136 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 16 -ATOM 24016 O O . TYR A 1 6 ? 6.532 8.982 -6.216 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 16 -ATOM 24017 C CB . TYR A 1 6 ? 8.530 7.250 -4.092 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 16 -ATOM 24018 C CG . TYR A 1 6 ? 9.638 7.190 -3.039 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 16 -ATOM 24019 C CD1 . TYR A 1 6 ? 9.846 8.226 -2.142 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 16 -ATOM 24020 C CD2 . TYR A 1 6 ? 10.449 6.065 -2.931 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 16 -ATOM 24021 C CE1 . TYR A 1 6 ? 10.824 8.152 -1.172 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 16 -ATOM 24022 C CE2 . TYR A 1 6 ? 11.425 5.977 -1.955 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 16 -ATOM 24023 C CZ . TYR A 1 6 ? 11.609 7.024 -1.081 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 16 -ATOM 24024 O OH . TYR A 1 6 ? 12.574 6.937 -0.095 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 16 -ATOM 24025 H H . TYR A 1 6 ? 7.424 9.813 -4.081 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 16 -ATOM 24026 H HA . TYR A 1 6 ? 9.542 8.440 -5.590 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 16 -ATOM 24027 H HB2 . TYR A 1 6 ? 7.596 7.309 -3.554 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 16 -ATOM 24028 H HB3 . TYR A 1 6 ? 8.543 6.320 -4.642 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 16 -ATOM 24029 H HD1 . TYR A 1 6 ? 9.230 9.111 -2.212 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 16 -ATOM 24030 H HD2 . TYR A 1 6 ? 10.305 5.246 -3.620 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 16 -ATOM 24031 H HE1 . TYR A 1 6 ? 10.957 8.978 -0.490 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 16 -ATOM 24032 H HE2 . TYR A 1 6 ? 12.042 5.096 -1.884 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 16 -ATOM 24033 H HH . TYR A 1 6 ? 13.389 6.573 -0.480 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 16 -ATOM 24034 N N . PHE A 1 7 ? 7.596 7.153 -6.912 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 16 -ATOM 24035 C CA . PHE A 1 7 ? 6.542 6.772 -7.822 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 16 -ATOM 24036 C C . PHE A 1 7 ? 5.576 5.877 -7.063 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 16 -ATOM 24037 O O . PHE A 1 7 ? 5.944 5.315 -6.041 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 16 -ATOM 24038 C CB . PHE A 1 7 ? 7.108 6.022 -9.035 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 16 -ATOM 24039 C CG . PHE A 1 7 ? 8.058 6.825 -9.872 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 16 -ATOM 24040 C CD1 . PHE A 1 7 ? 7.582 7.797 -10.733 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 16 -ATOM 24041 C CD2 . PHE A 1 7 ? 9.425 6.610 -9.799 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 16 -ATOM 24042 C CE1 . PHE A 1 7 ? 8.448 8.541 -11.506 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 16 -ATOM 24043 C CE2 . PHE A 1 7 ? 10.298 7.349 -10.570 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 16 -ATOM 24044 C CZ . PHE A 1 7 ? 9.809 8.316 -11.427 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 16 -ATOM 24045 H H . PHE A 1 7 ? 8.426 6.626 -6.871 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 16 -ATOM 24046 H HA . PHE A 1 7 ? 6.028 7.665 -8.147 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 16 -ATOM 24047 H HB2 . PHE A 1 7 ? 7.656 5.162 -8.680 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 16 -ATOM 24048 H HB3 . PHE A 1 7 ? 6.297 5.687 -9.665 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 16 -ATOM 24049 H HD1 . PHE A 1 7 ? 6.518 7.971 -10.794 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 16 -ATOM 24050 H HD2 . PHE A 1 7 ? 9.808 5.854 -9.128 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 16 -ATOM 24051 H HE1 . PHE A 1 7 ? 8.059 9.294 -12.173 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 16 -ATOM 24052 H HE2 . PHE A 1 7 ? 11.361 7.172 -10.501 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 16 -ATOM 24053 H HZ . PHE A 1 7 ? 10.488 8.897 -12.034 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 16 -ATOM 24054 N N . LEU A 1 8 ? 4.371 5.745 -7.532 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 16 -ATOM 24055 C CA . LEU A 1 8 ? 3.395 4.903 -6.865 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 16 -ATOM 24056 C C . LEU A 1 8 ? 2.892 3.905 -7.897 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 16 -ATOM 24057 O O . LEU A 1 8 ? 2.470 4.300 -8.989 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 16 -ATOM 24058 C CB . LEU A 1 8 ? 2.224 5.781 -6.315 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 16 -ATOM 24059 C CG . LEU A 1 8 ? 1.292 5.191 -5.201 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 16 -ATOM 24060 C CD1 . LEU A 1 8 ? 0.559 3.934 -5.631 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 16 -ATOM 24061 C CD2 . LEU A 1 8 ? 2.058 4.940 -3.915 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 16 -ATOM 24062 H H . LEU A 1 8 ? 4.108 6.201 -8.359 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 16 -ATOM 24063 H HA . LEU A 1 8 ? 3.880 4.379 -6.055 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 16 -ATOM 24064 H HB2 . LEU A 1 8 ? 2.653 6.694 -5.931 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 16 -ATOM 24065 H HB3 . LEU A 1 8 ? 1.605 6.048 -7.158 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 16 -ATOM 24066 H HG . LEU A 1 8 ? 0.532 5.928 -4.988 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 16 -ATOM 24067 H HD11 . LEU A 1 8 ? -0.005 3.550 -4.794 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 16 -ATOM 24068 H HD12 . LEU A 1 8 ? 1.278 3.191 -5.945 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 16 -ATOM 24069 H HD13 . LEU A 1 8 ? -0.113 4.163 -6.446 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 16 -ATOM 24070 H HD21 . LEU A 1 8 ? 2.496 5.862 -3.563 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 16 -ATOM 24071 H HD22 . LEU A 1 8 ? 2.832 4.210 -4.096 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 16 -ATOM 24072 H HD23 . LEU A 1 8 ? 1.382 4.556 -3.167 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 16 -ATOM 24073 N N . ASP A 1 9 ? 2.969 2.639 -7.587 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 16 -ATOM 24074 C CA . ASP A 1 9 ? 2.530 1.612 -8.500 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 16 -ATOM 24075 C C . ASP A 1 9 ? 1.742 0.571 -7.716 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 16 -ATOM 24076 O O . ASP A 1 9 ? 1.790 0.540 -6.476 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 16 -ATOM 24077 C CB . ASP A 1 9 ? 3.739 0.950 -9.169 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 16 -ATOM 24078 C CG . ASP A 1 9 ? 3.440 0.352 -10.541 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 16 -ATOM 24079 O OD1 . ASP A 1 9 ? 2.329 -0.161 -10.787 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 16 -ATOM 24080 O OD2 . ASP A 1 9 ? 4.310 0.441 -11.430 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 16 -ATOM 24081 H H . ASP A 1 9 ? 3.328 2.357 -6.713 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 16 -ATOM 24082 H HA . ASP A 1 9 ? 1.900 2.060 -9.254 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 16 -ATOM 24083 H HB2 . ASP A 1 9 ? 4.520 1.688 -9.288 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 16 -ATOM 24084 H HB3 . ASP A 1 9 ? 4.103 0.162 -8.526 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 16 -ATOM 24085 N N . PHE A 1 10 ? 1.060 -0.279 -8.413 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 16 -ATOM 24086 C CA . PHE A 1 10 ? 0.227 -1.283 -7.809 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 16 -ATOM 24087 C C . PHE A 1 10 ? 0.582 -2.626 -8.387 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 16 -ATOM 24088 O O . PHE A 1 10 ? 0.878 -2.741 -9.590 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 16 -ATOM 24089 C CB . PHE A 1 10 ? -1.267 -1.019 -8.088 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 16 -ATOM 24090 C CG . PHE A 1 10 ? -1.829 0.269 -7.538 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 16 -ATOM 24091 C CD1 . PHE A 1 10 ? -1.788 1.437 -8.285 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 16 -ATOM 24092 C CD2 . PHE A 1 10 ? -2.418 0.301 -6.287 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 16 -ATOM 24093 C CE1 . PHE A 1 10 ? -2.319 2.611 -7.789 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 16 -ATOM 24094 C CE2 . PHE A 1 10 ? -2.954 1.473 -5.787 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 16 -ATOM 24095 C CZ . PHE A 1 10 ? -2.903 2.629 -6.537 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 16 -ATOM 24096 H H . PHE A 1 10 ? 1.166 -0.269 -9.393 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 16 -ATOM 24097 H HA . PHE A 1 10 ? 0.393 -1.281 -6.742 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 16 -ATOM 24098 H HB2 . PHE A 1 10 ? -1.417 -1.001 -9.157 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 16 -ATOM 24099 H HB3 . PHE A 1 10 ? -1.843 -1.837 -7.677 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 16 -ATOM 24100 H HD1 . PHE A 1 10 ? -1.332 1.422 -9.264 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 16 -ATOM 24101 H HD2 . PHE A 1 10 ? -2.456 -0.602 -5.697 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 16 -ATOM 24102 H HE1 . PHE A 1 10 ? -2.277 3.515 -8.378 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 16 -ATOM 24103 H HE2 . PHE A 1 10 ? -3.412 1.482 -4.808 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 16 -ATOM 24104 H HZ . PHE A 1 10 ? -3.323 3.545 -6.147 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 16 -ATOM 24105 N N . ASP A 1 11 ? 0.589 -3.630 -7.563 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 16 -ATOM 24106 C CA . ASP A 1 11 ? 0.778 -4.975 -8.044 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 16 -ATOM 24107 C C . ASP A 1 11 ? -0.553 -5.466 -8.589 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 16 -ATOM 24108 O O . ASP A 1 11 ? -1.605 -4.961 -8.187 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 16 -ATOM 24109 C CB . ASP A 1 11 ? 1.279 -5.908 -6.940 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 16 -ATOM 24110 C CG . ASP A 1 11 ? 1.528 -7.307 -7.452 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 16 -ATOM 24111 O OD1 . ASP A 1 11 ? 2.649 -7.596 -7.925 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 16 -ATOM 24112 O OD2 . ASP A 1 11 ? 0.619 -8.147 -7.397 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 16 -ATOM 24113 H H . ASP A 1 11 ? 0.463 -3.478 -6.600 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 16 -ATOM 24114 H HA . ASP A 1 11 ? 1.494 -4.941 -8.853 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 16 -ATOM 24115 H HB2 . ASP A 1 11 ? 2.203 -5.520 -6.537 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 16 -ATOM 24116 H HB3 . ASP A 1 11 ? 0.538 -5.957 -6.156 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 16 -ATOM 24117 N N . GLU A 1 12 ? -0.520 -6.414 -9.505 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 16 -ATOM 24118 C CA . GLU A 1 12 ? -1.726 -6.946 -10.112 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 16 -ATOM 24119 C C . GLU A 1 12 ? -2.699 -7.537 -9.082 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 16 -ATOM 24120 O O . GLU A 1 12 ? -3.904 -7.557 -9.323 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 16 -ATOM 24121 C CB . GLU A 1 12 ? -1.406 -7.991 -11.161 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 16 -ATOM 24122 C CG . GLU A 1 12 ? -0.592 -9.151 -10.645 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 16 -ATOM 24123 C CD . GLU A 1 12 ? -0.585 -10.285 -11.602 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 16 -ATOM 24124 O OE1 . GLU A 1 12 ? 0.107 -10.209 -12.635 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 16 -ATOM 24125 O OE2 . GLU A 1 12 ? -1.291 -11.265 -11.361 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 16 -ATOM 24126 H H . GLU A 1 12 ? 0.348 -6.784 -9.769 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 16 -ATOM 24127 H HA . GLU A 1 12 ? -2.223 -6.122 -10.600 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 16 -ATOM 24128 H HB2 . GLU A 1 12 ? -2.333 -8.386 -11.550 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 16 -ATOM 24129 H HB3 . GLU A 1 12 ? -0.858 -7.527 -11.968 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 16 -ATOM 24130 H HG2 . GLU A 1 12 ? 0.424 -8.825 -10.482 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 16 -ATOM 24131 H HG3 . GLU A 1 12 ? -1.018 -9.486 -9.710 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 16 -ATOM 24132 N N . ARG A 1 13 ? -2.185 -8.050 -7.962 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 16 -ATOM 24133 C CA . ARG A 1 13 ? -3.071 -8.583 -6.926 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 16 -ATOM 24134 C C . ARG A 1 13 ? -3.823 -7.428 -6.320 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 16 -ATOM 24135 O O . ARG A 1 13 ? -5.051 -7.435 -6.248 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 16 -ATOM 24136 C CB . ARG A 1 13 ? -2.312 -9.283 -5.808 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 16 -ATOM 24137 C CG . ARG A 1 13 ? -1.317 -10.325 -6.245 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 16 -ATOM 24138 C CD . ARG A 1 13 ? -0.784 -11.078 -5.047 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 16 -ATOM 24139 N NE . ARG A 1 13 ? -1.734 -12.085 -4.548 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 16 -ATOM 24140 C CZ . ARG A 1 13 ? -2.435 -12.021 -3.398 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 16 -ATOM 24141 N NH1 . ARG A 1 13 ? -2.643 -10.852 -2.774 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 16 -ATOM 24142 N NH2 . ARG A 1 13 ? -3.002 -13.117 -2.920 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 16 -ATOM 24143 H H . ARG A 1 13 ? -1.206 -8.062 -7.831 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 16 -ATOM 24144 H HA . ARG A 1 13 ? -3.768 -9.267 -7.387 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 16 -ATOM 24145 H HB2 . ARG A 1 13 ? -1.779 -8.534 -5.241 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 16 -ATOM 24146 H HB3 . ARG A 1 13 ? -3.029 -9.755 -5.153 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 16 -ATOM 24147 H HG2 . ARG A 1 13 ? -1.791 -11.021 -6.919 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 16 -ATOM 24148 H HG3 . ARG A 1 13 ? -0.496 -9.829 -6.742 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 16 -ATOM 24149 H HD2 . ARG A 1 13 ? 0.134 -11.575 -5.322 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 16 -ATOM 24150 H HD3 . ARG A 1 13 ? -0.581 -10.372 -4.255 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 16 -ATOM 24151 H HE . ARG A 1 13 ? -1.739 -12.910 -5.084 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 16 -ATOM 24152 H HH11 . ARG A 1 13 ? -2.314 -9.966 -3.108 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 16 -ATOM 24153 H HH12 . ARG A 1 13 ? -3.172 -10.824 -1.921 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 16 -ATOM 24154 H HH21 . ARG A 1 13 ? -2.935 -14.006 -3.380 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 16 -ATOM 24155 H HH22 . ARG A 1 13 ? -3.500 -13.081 -2.038 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 16 -ATOM 24156 N N . ALA A 1 14 ? -3.062 -6.397 -5.983 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 16 -ATOM 24157 C CA . ALA A 1 14 ? -3.571 -5.199 -5.358 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 16 -ATOM 24158 C C . ALA A 1 14 ? -4.579 -4.495 -6.244 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 16 -ATOM 24159 O O . ALA A 1 14 ? -5.454 -3.831 -5.755 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 16 -ATOM 24160 C CB . ALA A 1 14 ? -2.433 -4.262 -4.995 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 16 -ATOM 24161 H H . ALA A 1 14 ? -2.101 -6.452 -6.164 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 16 -ATOM 24162 H HA . ALA A 1 14 ? -4.063 -5.494 -4.443 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 16 -ATOM 24163 H HB1 . ALA A 1 14 ? -2.828 -3.402 -4.474 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 16 -ATOM 24164 H HB2 . ALA A 1 14 ? -1.934 -3.935 -5.895 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 16 -ATOM 24165 H HB3 . ALA A 1 14 ? -1.728 -4.776 -4.358 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 16 -ATOM 24166 N N . LEU A 1 15 ? -4.462 -4.666 -7.554 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 16 -ATOM 24167 C CA . LEU A 1 15 ? -5.383 -4.048 -8.484 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 16 -ATOM 24168 C C . LEU A 1 15 ? -6.739 -4.695 -8.410 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 16 -ATOM 24169 O O . LEU A 1 15 ? -7.767 -4.021 -8.486 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 16 -ATOM 24170 C CB . LEU A 1 15 ? -4.849 -4.090 -9.910 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 16 -ATOM 24171 C CG . LEU A 1 15 ? -3.754 -3.083 -10.251 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 16 -ATOM 24172 C CD1 . LEU A 1 15 ? -3.259 -3.305 -11.671 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 16 -ATOM 24173 C CD2 . LEU A 1 15 ? -4.291 -1.659 -10.100 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 16 -ATOM 24174 H H . LEU A 1 15 ? -3.746 -5.242 -7.899 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 16 -ATOM 24175 H HA . LEU A 1 15 ? -5.491 -3.016 -8.186 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 16 -ATOM 24176 H HB2 . LEU A 1 15 ? -4.458 -5.083 -10.082 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 16 -ATOM 24177 H HB3 . LEU A 1 15 ? -5.680 -3.937 -10.577 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 16 -ATOM 24178 H HG . LEU A 1 15 ? -2.923 -3.205 -9.572 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 16 -ATOM 24179 H HD11 . LEU A 1 15 ? -4.082 -3.183 -12.358 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 16 -ATOM 24180 H HD12 . LEU A 1 15 ? -2.858 -4.303 -11.766 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 16 -ATOM 24181 H HD13 . LEU A 1 15 ? -2.489 -2.584 -11.902 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 16 -ATOM 24182 H HD21 . LEU A 1 15 ? -4.578 -1.469 -9.077 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 16 -ATOM 24183 H HD22 . LEU A 1 15 ? -5.161 -1.537 -10.729 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 16 -ATOM 24184 H HD23 . LEU A 1 15 ? -3.530 -0.953 -10.401 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 16 -ATOM 24185 N N . LYS A 1 16 ? -6.741 -5.991 -8.226 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 16 -ATOM 24186 C CA . LYS A 1 16 ? -7.966 -6.742 -8.100 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 16 -ATOM 24187 C C . LYS A 1 16 ? -8.667 -6.309 -6.819 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 16 -ATOM 24188 O O . LYS A 1 16 ? -9.871 -6.058 -6.800 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 16 -ATOM 24189 C CB . LYS A 1 16 ? -7.644 -8.228 -8.035 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 16 -ATOM 24190 C CG . LYS A 1 16 ? -6.897 -8.760 -9.242 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 16 -ATOM 24191 C CD . LYS A 1 16 ? -6.475 -10.188 -9.005 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 16 -ATOM 24192 C CE . LYS A 1 16 ? -5.822 -10.810 -10.235 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 16 -ATOM 24193 N NZ . LYS A 1 16 ? -4.490 -10.235 -10.523 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 16 -ATOM 24194 H H . LYS A 1 16 ? -5.887 -6.469 -8.155 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 16 -ATOM 24195 H HA . LYS A 1 16 ? -8.582 -6.538 -8.963 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 16 -ATOM 24196 H HB2 . LYS A 1 16 ? -7.032 -8.406 -7.163 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 16 -ATOM 24197 H HB3 . LYS A 1 16 ? -8.564 -8.783 -7.934 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 16 -ATOM 24198 H HG2 . LYS A 1 16 ? -7.539 -8.719 -10.110 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 16 -ATOM 24199 H HG3 . LYS A 1 16 ? -6.018 -8.155 -9.410 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 16 -ATOM 24200 H HD2 . LYS A 1 16 ? -5.738 -10.123 -8.219 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 16 -ATOM 24201 H HD3 . LYS A 1 16 ? -7.321 -10.774 -8.681 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 16 -ATOM 24202 H HE2 . LYS A 1 16 ? -5.712 -11.872 -10.074 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 16 -ATOM 24203 H HE3 . LYS A 1 16 ? -6.467 -10.650 -11.087 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 16 -ATOM 24204 H HZ1 . LYS A 1 16 ? -3.832 -10.513 -9.767 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 16 -ATOM 24205 H HZ2 . LYS A 1 16 ? -4.542 -9.196 -10.573 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 16 -ATOM 24206 H HZ3 . LYS A 1 16 ? -4.139 -10.607 -11.430 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 16 -ATOM 24207 N N . GLU A 1 17 ? -7.872 -6.169 -5.787 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 16 -ATOM 24208 C CA . GLU A 1 17 ? -8.312 -5.753 -4.471 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 16 -ATOM 24209 C C . GLU A 1 17 ? -8.816 -4.291 -4.493 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 16 -ATOM 24210 O O . GLU A 1 17 ? -9.861 -3.966 -3.941 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 16 -ATOM 24211 C CB . GLU A 1 17 ? -7.132 -5.924 -3.519 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 16 -ATOM 24212 C CG . GLU A 1 17 ? -6.658 -7.368 -3.427 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 16 -ATOM 24213 C CD . GLU A 1 17 ? -5.351 -7.547 -2.699 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 16 -ATOM 24214 O OE1 . GLU A 1 17 ? -5.182 -6.964 -1.607 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 16 -ATOM 24215 O OE2 . GLU A 1 17 ? -4.498 -8.325 -3.184 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 16 -ATOM 24216 H H . GLU A 1 17 ? -6.920 -6.375 -5.910 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 16 -ATOM 24217 H HA . GLU A 1 17 ? -9.113 -6.403 -4.152 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 16 -ATOM 24218 H HB2 . GLU A 1 17 ? -6.312 -5.315 -3.872 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 16 -ATOM 24219 H HB3 . GLU A 1 17 ? -7.417 -5.593 -2.532 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 16 -ATOM 24220 H HG2 . GLU A 1 17 ? -7.406 -7.938 -2.901 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 16 -ATOM 24221 H HG3 . GLU A 1 17 ? -6.554 -7.754 -4.429 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 16 -ATOM 24222 N N . TRP A 1 18 ? -8.081 -3.446 -5.178 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 16 -ATOM 24223 C CA . TRP A 1 18 ? -8.390 -2.021 -5.337 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 16 -ATOM 24224 C C . TRP A 1 18 ? -9.716 -1.831 -6.090 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 16 -ATOM 24225 O O . TRP A 1 18 ? -10.525 -0.960 -5.752 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 16 -ATOM 24226 C CB . TRP A 1 18 ? -7.224 -1.370 -6.101 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 16 -ATOM 24227 C CG . TRP A 1 18 ? -7.306 0.101 -6.316 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 16 -ATOM 24228 C CD1 . TRP A 1 18 ? -7.740 0.740 -7.436 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 16 -ATOM 24229 C CD2 . TRP A 1 18 ? -6.903 1.119 -5.401 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 16 -ATOM 24230 N NE1 . TRP A 1 18 ? -7.646 2.095 -7.269 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 16 -ATOM 24231 C CE2 . TRP A 1 18 ? -7.131 2.356 -6.027 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 16 -ATOM 24232 C CE3 . TRP A 1 18 ? -6.374 1.102 -4.108 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 16 -ATOM 24233 C CZ2 . TRP A 1 18 ? -6.847 3.563 -5.405 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 16 -ATOM 24234 C CZ3 . TRP A 1 18 ? -6.093 2.299 -3.493 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 16 -ATOM 24235 C CH2 . TRP A 1 18 ? -6.327 3.511 -4.139 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 16 -ATOM 24236 H H . TRP A 1 18 ? -7.244 -3.776 -5.575 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 16 -ATOM 24237 H HA . TRP A 1 18 ? -8.473 -1.563 -4.361 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 16 -ATOM 24238 H HB2 . TRP A 1 18 ? -6.309 -1.557 -5.560 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 16 -ATOM 24239 H HB3 . TRP A 1 18 ? -7.151 -1.847 -7.067 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 16 -ATOM 24240 H HD1 . TRP A 1 18 ? -8.103 0.234 -8.319 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 16 -ATOM 24241 H HE1 . TRP A 1 18 ? -7.909 2.752 -7.953 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 16 -ATOM 24242 H HE3 . TRP A 1 18 ? -6.187 0.174 -3.591 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 16 -ATOM 24243 H HZ2 . TRP A 1 18 ? -7.024 4.509 -5.893 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 16 -ATOM 24244 H HZ3 . TRP A 1 18 ? -5.681 2.308 -2.494 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 16 -ATOM 24245 H HH2 . TRP A 1 18 ? -6.089 4.424 -3.612 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 16 -ATOM 24246 N N . ARG A 1 19 ? -9.924 -2.628 -7.115 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 16 -ATOM 24247 C CA . ARG A 1 19 ? -11.164 -2.572 -7.873 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 16 -ATOM 24248 C C . ARG A 1 19 ? -12.309 -3.216 -7.114 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 16 -ATOM 24249 O O . ARG A 1 19 ? -13.470 -2.897 -7.342 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 16 -ATOM 24250 C CB . ARG A 1 19 ? -10.997 -3.163 -9.257 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 16 -ATOM 24251 C CG . ARG A 1 19 ? -10.025 -2.379 -10.106 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 16 -ATOM 24252 C CD . ARG A 1 19 ? -9.850 -3.003 -11.461 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 16 -ATOM 24253 N NE . ARG A 1 19 ? -8.879 -2.264 -12.260 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 16 -ATOM 24254 C CZ . ARG A 1 19 ? -8.587 -2.490 -13.542 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 16 -ATOM 24255 N NH1 . ARG A 1 19 ? -9.268 -3.408 -14.236 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 16 -ATOM 24256 N NH2 . ARG A 1 19 ? -7.621 -1.779 -14.131 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 16 -ATOM 24257 H H . ARG A 1 19 ? -9.216 -3.258 -7.377 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 16 -ATOM 24258 H HA . ARG A 1 19 ? -11.401 -1.523 -7.972 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 16 -ATOM 24259 H HB2 . ARG A 1 19 ? -10.627 -4.173 -9.161 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 16 -ATOM 24260 H HB3 . ARG A 1 19 ? -11.953 -3.178 -9.756 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 16 -ATOM 24261 H HG2 . ARG A 1 19 ? -10.398 -1.374 -10.229 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 16 -ATOM 24262 H HG3 . ARG A 1 19 ? -9.069 -2.349 -9.604 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 16 -ATOM 24263 H HD2 . ARG A 1 19 ? -9.512 -4.020 -11.327 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 16 -ATOM 24264 H HD3 . ARG A 1 19 ? -10.805 -3.000 -11.966 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 16 -ATOM 24265 H HE . ARG A 1 19 ? -8.411 -1.551 -11.766 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 16 -ATOM 24266 H HH11 . ARG A 1 19 ? -10.005 -3.948 -13.821 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 16 -ATOM 24267 H HH12 . ARG A 1 19 ? -9.078 -3.571 -15.207 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 16 -ATOM 24268 H HH21 . ARG A 1 19 ? -7.107 -1.076 -13.628 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 16 -ATOM 24269 H HH22 . ARG A 1 19 ? -7.350 -1.899 -15.089 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 16 -ATOM 24270 N N . LYS A 1 20 ? -11.973 -4.125 -6.212 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 16 -ATOM 24271 C CA . LYS A 1 20 ? -12.951 -4.751 -5.328 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 16 -ATOM 24272 C C . LYS A 1 20 ? -13.491 -3.691 -4.354 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 16 -ATOM 24273 O O . LYS A 1 20 ? -14.654 -3.742 -3.919 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 16 -ATOM 24274 C CB . LYS A 1 20 ? -12.299 -5.903 -4.565 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 16 -ATOM 24275 C CG . LYS A 1 20 ? -13.238 -6.667 -3.663 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 16 -ATOM 24276 C CD . LYS A 1 20 ? -12.501 -7.741 -2.903 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 16 -ATOM 24277 C CE . LYS A 1 20 ? -13.441 -8.522 -2.012 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 16 -ATOM 24278 N NZ . LYS A 1 20 ? -14.450 -9.282 -2.786 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 16 -ATOM 24279 H H . LYS A 1 20 ? -11.032 -4.401 -6.148 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 16 -ATOM 24280 H HA . LYS A 1 20 ? -13.765 -5.124 -5.930 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 16 -ATOM 24281 H HB2 . LYS A 1 20 ? -11.880 -6.598 -5.278 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 16 -ATOM 24282 H HB3 . LYS A 1 20 ? -11.498 -5.502 -3.961 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 16 -ATOM 24283 H HG2 . LYS A 1 20 ? -13.685 -5.981 -2.958 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 16 -ATOM 24284 H HG3 . LYS A 1 20 ? -14.011 -7.121 -4.266 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 16 -ATOM 24285 H HD2 . LYS A 1 20 ? -12.044 -8.419 -3.609 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 16 -ATOM 24286 H HD3 . LYS A 1 20 ? -11.738 -7.281 -2.293 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 16 -ATOM 24287 H HE2 . LYS A 1 20 ? -12.864 -9.208 -1.410 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 16 -ATOM 24288 H HE3 . LYS A 1 20 ? -13.949 -7.816 -1.371 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 16 -ATOM 24289 H HZ1 . LYS A 1 20 ? -15.051 -8.673 -3.378 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 16 -ATOM 24290 H HZ2 . LYS A 1 20 ? -15.065 -9.833 -2.155 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 16 -ATOM 24291 H HZ3 . LYS A 1 20 ? -13.975 -9.962 -3.415 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 16 -ATOM 24292 N N . LEU A 1 21 ? -12.631 -2.747 -4.013 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 16 -ATOM 24293 C CA . LEU A 1 21 ? -13.013 -1.597 -3.219 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 16 -ATOM 24294 C C . LEU A 1 21 ? -14.004 -0.770 -3.977 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 16 -ATOM 24295 O O . LEU A 1 21 ? -13.874 -0.610 -5.192 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 16 -ATOM 24296 C CB . LEU A 1 21 ? -11.801 -0.758 -2.825 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 16 -ATOM 24297 C CG . LEU A 1 21 ? -11.183 -1.057 -1.464 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 16 -ATOM 24298 C CD1 . LEU A 1 21 ? -10.951 -2.534 -1.261 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 16 -ATOM 24299 C CD2 . LEU A 1 21 ? -9.897 -0.290 -1.307 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 16 -ATOM 24300 H H . LEU A 1 21 ? -11.702 -2.841 -4.314 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 16 -ATOM 24301 H HA . LEU A 1 21 ? -13.492 -1.965 -2.325 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 16 -ATOM 24302 H HB2 . LEU A 1 21 ? -11.040 -0.896 -3.578 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 16 -ATOM 24303 H HB3 . LEU A 1 21 ? -12.102 0.279 -2.836 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 16 -ATOM 24304 H HG . LEU A 1 21 ? -11.859 -0.720 -0.697 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 16 -ATOM 24305 H HD11 . LEU A 1 21 ? -11.919 -3.010 -1.333 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 16 -ATOM 24306 H HD12 . LEU A 1 21 ? -10.526 -2.705 -0.284 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 16 -ATOM 24307 H HD13 . LEU A 1 21 ? -10.300 -2.913 -2.033 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 16 -ATOM 24308 H HD21 . LEU A 1 21 ? -9.463 -0.511 -0.344 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 16 -ATOM 24309 H HD22 . LEU A 1 21 ? -10.125 0.764 -1.368 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 16 -ATOM 24310 H HD23 . LEU A 1 21 ? -9.211 -0.564 -2.094 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 16 -ATOM 24311 N N . GLY A 1 22 ? -14.967 -0.253 -3.252 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 16 -ATOM 24312 C CA . GLY A 1 22 ? -16.103 0.449 -3.842 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 16 -ATOM 24313 C C . GLY A 1 22 ? -15.725 1.617 -4.726 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 16 -ATOM 24314 O O . GLY A 1 22 ? -15.657 1.490 -5.949 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 16 -ATOM 24315 H H . GLY A 1 22 ? -14.893 -0.361 -2.276 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 16 -ATOM 24316 H HA2 . GLY A 1 22 ? -16.684 -0.249 -4.427 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 16 -ATOM 24317 H HA3 . GLY A 1 22 ? -16.718 0.816 -3.034 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 16 -ATOM 24318 N N . SER A 1 23 ? -15.494 2.736 -4.119 1.00 0.00 ? ? ? ? ? ? 20 SER A N 16 -ATOM 24319 C CA . SER A 1 23 ? -15.132 3.924 -4.822 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 16 -ATOM 24320 C C . SER A 1 23 ? -14.552 4.906 -3.823 1.00 0.00 ? ? ? ? ? ? 20 SER A C 16 -ATOM 24321 O O . SER A 1 23 ? -13.376 5.225 -3.873 1.00 0.00 ? ? ? ? ? ? 20 SER A O 16 -ATOM 24322 C CB . SER A 1 23 ? -16.367 4.522 -5.540 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 16 -ATOM 24323 O OG . SER A 1 23 ? -16.019 5.641 -6.323 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 16 -ATOM 24324 H H . SER A 1 23 ? -15.578 2.765 -3.143 1.00 0.00 ? ? ? ? ? ? 20 SER A H 16 -ATOM 24325 H HA . SER A 1 23 ? -14.379 3.672 -5.554 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 16 -ATOM 24326 H HB2 . SER A 1 23 ? -16.805 3.775 -6.185 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 16 -ATOM 24327 H HB3 . SER A 1 23 ? -17.093 4.824 -4.800 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 16 -ATOM 24328 H HG . SER A 1 23 ? -16.814 5.966 -6.764 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 16 -ATOM 24329 N N . THR A 1 24 ? -15.357 5.276 -2.862 1.00 0.00 ? ? ? ? ? ? 21 THR A N 16 -ATOM 24330 C CA . THR A 1 24 ? -14.995 6.248 -1.859 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 16 -ATOM 24331 C C . THR A 1 24 ? -13.814 5.734 -1.017 1.00 0.00 ? ? ? ? ? ? 21 THR A C 16 -ATOM 24332 O O . THR A 1 24 ? -12.817 6.427 -0.852 1.00 0.00 ? ? ? ? ? ? 21 THR A O 16 -ATOM 24333 C CB . THR A 1 24 ? -16.225 6.539 -0.975 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 16 -ATOM 24334 O OG1 . THR A 1 24 ? -17.381 6.664 -1.840 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 16 -ATOM 24335 C CG2 . THR A 1 24 ? -16.060 7.842 -0.221 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 16 -ATOM 24336 H H . THR A 1 24 ? -16.251 4.884 -2.816 1.00 0.00 ? ? ? ? ? ? 21 THR A H 16 -ATOM 24337 H HA . THR A 1 24 ? -14.693 7.161 -2.350 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 16 -ATOM 24338 H HB . THR A 1 24 ? -16.366 5.723 -0.282 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 16 -ATOM 24339 H HG1 . THR A 1 24 ? -17.101 7.200 -2.597 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 16 -ATOM 24340 H HG21 . THR A 1 24 ? -15.166 7.802 0.384 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 16 -ATOM 24341 H HG22 . THR A 1 24 ? -16.918 7.995 0.417 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 16 -ATOM 24342 H HG23 . THR A 1 24 ? -15.986 8.658 -0.926 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 16 -ATOM 24343 N N . VAL A 1 25 ? -13.896 4.474 -0.605 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 16 -ATOM 24344 C CA . VAL A 1 25 ? -12.864 3.846 0.209 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 16 -ATOM 24345 C C . VAL A 1 25 ? -11.520 3.858 -0.512 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 16 -ATOM 24346 O O . VAL A 1 25 ? -10.506 4.272 0.055 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 16 -ATOM 24347 C CB . VAL A 1 25 ? -13.261 2.386 0.562 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 16 -ATOM 24348 C CG1 . VAL A 1 25 ? -12.105 1.628 1.176 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 16 -ATOM 24349 C CG2 . VAL A 1 25 ? -14.435 2.377 1.519 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 16 -ATOM 24350 H H . VAL A 1 25 ? -14.688 3.949 -0.849 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 16 -ATOM 24351 H HA . VAL A 1 25 ? -12.774 4.408 1.128 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 16 -ATOM 24352 H HB . VAL A 1 25 ? -13.565 1.879 -0.342 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 16 -ATOM 24353 H HG11 . VAL A 1 25 ? -12.420 0.616 1.390 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 16 -ATOM 24354 H HG12 . VAL A 1 25 ? -11.797 2.112 2.092 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 16 -ATOM 24355 H HG13 . VAL A 1 25 ? -11.280 1.606 0.480 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 16 -ATOM 24356 H HG21 . VAL A 1 25 ? -15.272 2.892 1.074 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 16 -ATOM 24357 H HG22 . VAL A 1 25 ? -14.157 2.861 2.444 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 16 -ATOM 24358 H HG23 . VAL A 1 25 ? -14.709 1.351 1.712 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 16 -ATOM 24359 N N . ARG A 1 26 ? -11.522 3.463 -1.768 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 16 -ATOM 24360 C CA . ARG A 1 26 ? -10.292 3.463 -2.525 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 16 -ATOM 24361 C C . ARG A 1 26 ? -9.799 4.877 -2.790 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 16 -ATOM 24362 O O . ARG A 1 26 ? -8.609 5.120 -2.801 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 16 -ATOM 24363 C CB . ARG A 1 26 ? -10.362 2.650 -3.808 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 16 -ATOM 24364 C CG . ARG A 1 26 ? -11.473 3.030 -4.749 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 16 -ATOM 24365 C CD . ARG A 1 26 ? -11.197 2.471 -6.110 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 16 -ATOM 24366 N NE . ARG A 1 26 ? -12.198 2.872 -7.102 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 16 -ATOM 24367 C CZ . ARG A 1 26 ? -12.743 2.050 -8.017 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 16 -ATOM 24368 N NH1 . ARG A 1 26 ? -12.559 0.724 -7.938 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 16 -ATOM 24369 N NH2 . ARG A 1 26 ? -13.513 2.554 -8.979 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 16 -ATOM 24370 H H . ARG A 1 26 ? -12.370 3.187 -2.174 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 16 -ATOM 24371 H HA . ARG A 1 26 ? -9.559 3.010 -1.869 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 16 -ATOM 24372 H HB2 . ARG A 1 26 ? -9.428 2.767 -4.336 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 16 -ATOM 24373 H HB3 . ARG A 1 26 ? -10.476 1.608 -3.548 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 16 -ATOM 24374 H HG2 . ARG A 1 26 ? -12.374 2.569 -4.367 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 16 -ATOM 24375 H HG3 . ARG A 1 26 ? -11.626 4.099 -4.782 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 16 -ATOM 24376 H HD2 . ARG A 1 26 ? -10.229 2.861 -6.396 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 16 -ATOM 24377 H HD3 . ARG A 1 26 ? -11.151 1.394 -6.047 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 16 -ATOM 24378 H HE . ARG A 1 26 ? -12.414 3.834 -7.114 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 16 -ATOM 24379 H HH11 . ARG A 1 26 ? -12.027 0.299 -7.201 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 16 -ATOM 24380 H HH12 . ARG A 1 26 ? -12.944 0.110 -8.634 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 16 -ATOM 24381 H HH21 . ARG A 1 26 ? -13.701 3.536 -9.038 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 16 -ATOM 24382 H HH22 . ARG A 1 26 ? -13.918 1.965 -9.684 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 16 -ATOM 24383 N N . GLU A 1 27 ? -10.718 5.801 -3.000 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 16 -ATOM 24384 C CA . GLU A 1 27 ? -10.352 7.178 -3.229 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 16 -ATOM 24385 C C . GLU A 1 27 ? -9.664 7.799 -2.032 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 16 -ATOM 24386 O O . GLU A 1 27 ? -8.668 8.500 -2.208 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 16 -ATOM 24387 C CB . GLU A 1 27 ? -11.513 8.018 -3.706 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 16 -ATOM 24388 C CG . GLU A 1 27 ? -11.915 7.716 -5.132 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 16 -ATOM 24389 C CD . GLU A 1 27 ? -12.955 8.657 -5.638 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 16 -ATOM 24390 O OE1 . GLU A 1 27 ? -12.617 9.828 -5.908 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 16 -ATOM 24391 O OE2 . GLU A 1 27 ? -14.112 8.261 -5.790 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 16 -ATOM 24392 H H . GLU A 1 27 ? -11.670 5.557 -3.006 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 16 -ATOM 24393 H HA . GLU A 1 27 ? -9.613 7.145 -4.017 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 16 -ATOM 24394 H HB2 . GLU A 1 27 ? -12.361 7.811 -3.067 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 16 -ATOM 24395 H HB3 . GLU A 1 27 ? -11.253 9.063 -3.632 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 16 -ATOM 24396 H HG2 . GLU A 1 27 ? -11.043 7.791 -5.766 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 16 -ATOM 24397 H HG3 . GLU A 1 27 ? -12.305 6.709 -5.176 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 16 -ATOM 24398 N N . GLN A 1 28 ? -10.156 7.536 -0.819 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 16 -ATOM 24399 C CA . GLN A 1 28 ? -9.455 8.036 0.362 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 16 -ATOM 24400 C C . GLN A 1 28 ? -8.083 7.430 0.444 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 16 -ATOM 24401 O O . GLN A 1 28 ? -7.119 8.141 0.648 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 16 -ATOM 24402 C CB . GLN A 1 28 ? -10.186 7.831 1.696 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 16 -ATOM 24403 C CG . GLN A 1 28 ? -11.295 8.836 2.016 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 16 -ATOM 24404 C CD . GLN A 1 28 ? -12.506 8.738 1.137 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 16 -ATOM 24405 O OE1 . GLN A 1 28 ? -13.439 8.006 1.445 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 16 -ATOM 24406 N NE2 . GLN A 1 28 ? -12.523 9.488 0.060 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 16 -ATOM 24407 H H . GLN A 1 28 ? -10.984 7.011 -0.736 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 16 -ATOM 24408 H HA . GLN A 1 28 ? -9.317 9.095 0.193 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 16 -ATOM 24409 H HB2 . GLN A 1 28 ? -10.620 6.842 1.704 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 16 -ATOM 24410 H HB3 . GLN A 1 28 ? -9.440 7.894 2.478 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 16 -ATOM 24411 H HG2 . GLN A 1 28 ? -11.615 8.689 3.036 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 16 -ATOM 24412 H HG3 . GLN A 1 28 ? -10.881 9.828 1.921 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 16 -ATOM 24413 H HE21 . GLN A 1 28 ? -11.750 10.068 -0.098 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 16 -ATOM 24414 H HE22 . GLN A 1 28 ? -13.293 9.428 -0.544 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 16 -ATOM 24415 N N . LEU A 1 29 ? -7.995 6.122 0.228 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 16 -ATOM 24416 C CA . LEU A 1 29 ? -6.717 5.419 0.252 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 16 -ATOM 24417 C C . LEU A 1 29 ? -5.751 5.988 -0.771 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 16 -ATOM 24418 O O . LEU A 1 29 ? -4.580 6.198 -0.460 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 16 -ATOM 24419 C CB . LEU A 1 29 ? -6.905 3.924 0.051 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 16 -ATOM 24420 C CG . LEU A 1 29 ? -7.594 3.183 1.205 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 16 -ATOM 24421 C CD1 . LEU A 1 29 ? -7.826 1.737 0.844 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 16 -ATOM 24422 C CD2 . LEU A 1 29 ? -6.755 3.272 2.476 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 16 -ATOM 24423 H H . LEU A 1 29 ? -8.819 5.616 0.049 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 16 -ATOM 24424 H HA . LEU A 1 29 ? -6.287 5.585 1.228 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 16 -ATOM 24425 H HB2 . LEU A 1 29 ? -7.486 3.803 -0.853 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 16 -ATOM 24426 H HB3 . LEU A 1 29 ? -5.932 3.481 -0.109 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 16 -ATOM 24427 H HG . LEU A 1 29 ? -8.552 3.642 1.400 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 16 -ATOM 24428 H HD11 . LEU A 1 29 ? -6.878 1.262 0.644 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 16 -ATOM 24429 H HD12 . LEU A 1 29 ? -8.449 1.681 -0.036 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 16 -ATOM 24430 H HD13 . LEU A 1 29 ? -8.313 1.233 1.666 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 16 -ATOM 24431 H HD21 . LEU A 1 29 ? -5.769 2.879 2.284 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 16 -ATOM 24432 H HD22 . LEU A 1 29 ? -7.225 2.681 3.249 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 16 -ATOM 24433 H HD23 . LEU A 1 29 ? -6.683 4.298 2.805 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 16 -ATOM 24434 N N . LYS A 1 30 ? -6.248 6.264 -1.974 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 16 -ATOM 24435 C CA . LYS A 1 30 ? -5.447 6.896 -3.010 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 16 -ATOM 24436 C C . LYS A 1 30 ? -4.914 8.245 -2.519 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 16 -ATOM 24437 O O . LYS A 1 30 ? -3.746 8.552 -2.687 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 16 -ATOM 24438 C CB . LYS A 1 30 ? -6.294 7.138 -4.250 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 16 -ATOM 24439 C CG . LYS A 1 30 ? -5.535 7.807 -5.387 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 16 -ATOM 24440 C CD . LYS A 1 30 ? -6.457 8.283 -6.494 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 16 -ATOM 24441 C CE . LYS A 1 30 ? -7.346 9.430 -6.023 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 16 -ATOM 24442 N NZ . LYS A 1 30 ? -8.235 9.913 -7.098 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 16 -ATOM 24443 H H . LYS A 1 30 ? -7.174 5.993 -2.181 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 16 -ATOM 24444 H HA . LYS A 1 30 ? -4.624 6.245 -3.264 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 16 -ATOM 24445 H HB2 . LYS A 1 30 ? -6.668 6.187 -4.599 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 16 -ATOM 24446 H HB3 . LYS A 1 30 ? -7.130 7.754 -3.961 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 16 -ATOM 24447 H HG2 . LYS A 1 30 ? -5.011 8.659 -4.982 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 16 -ATOM 24448 H HG3 . LYS A 1 30 ? -4.821 7.105 -5.792 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 16 -ATOM 24449 H HD2 . LYS A 1 30 ? -5.861 8.619 -7.330 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 16 -ATOM 24450 H HD3 . LYS A 1 30 ? -7.082 7.458 -6.803 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 16 -ATOM 24451 H HE2 . LYS A 1 30 ? -7.950 9.096 -5.194 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 16 -ATOM 24452 H HE3 . LYS A 1 30 ? -6.709 10.238 -5.687 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 16 -ATOM 24453 H HZ1 . LYS A 1 30 ? -8.853 9.160 -7.462 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 16 -ATOM 24454 H HZ2 . LYS A 1 30 ? -7.683 10.266 -7.903 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 16 -ATOM 24455 H HZ3 . LYS A 1 30 ? -8.841 10.691 -6.769 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 16 -ATOM 24456 N N . LYS A 1 31 ? -5.777 9.020 -1.881 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 16 -ATOM 24457 C CA . LYS A 1 31 ? -5.404 10.329 -1.351 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 16 -ATOM 24458 C C . LYS A 1 31 ? -4.374 10.188 -0.247 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 16 -ATOM 24459 O O . LYS A 1 31 ? -3.490 11.049 -0.088 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 16 -ATOM 24460 C CB . LYS A 1 31 ? -6.619 11.086 -0.837 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 16 -ATOM 24461 C CG . LYS A 1 31 ? -7.643 11.406 -1.892 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 16 -ATOM 24462 C CD . LYS A 1 31 ? -8.842 12.072 -1.265 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 16 -ATOM 24463 C CE . LYS A 1 31 ? -9.944 12.289 -2.264 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 16 -ATOM 24464 N NZ . LYS A 1 31 ? -9.563 13.212 -3.362 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 16 -ATOM 24465 H H . LYS A 1 31 ? -6.701 8.697 -1.769 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 16 -ATOM 24466 H HA . LYS A 1 31 ? -4.959 10.888 -2.160 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 16 -ATOM 24467 H HB2 . LYS A 1 31 ? -7.108 10.490 -0.082 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 16 -ATOM 24468 H HB3 . LYS A 1 31 ? -6.294 12.015 -0.394 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 16 -ATOM 24469 H HG2 . LYS A 1 31 ? -7.207 12.069 -2.624 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 16 -ATOM 24470 H HG3 . LYS A 1 31 ? -7.957 10.490 -2.369 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 16 -ATOM 24471 H HD2 . LYS A 1 31 ? -9.217 11.432 -0.480 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 16 -ATOM 24472 H HD3 . LYS A 1 31 ? -8.544 13.022 -0.849 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 16 -ATOM 24473 H HE2 . LYS A 1 31 ? -10.184 11.323 -2.681 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 16 -ATOM 24474 H HE3 . LYS A 1 31 ? -10.803 12.675 -1.738 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 16 -ATOM 24475 H HZ1 . LYS A 1 31 ? -10.383 13.359 -3.987 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 16 -ATOM 24476 H HZ2 . LYS A 1 31 ? -8.778 12.845 -3.936 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 16 -ATOM 24477 H HZ3 . LYS A 1 31 ? -9.279 14.140 -2.986 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 16 -ATOM 24478 N N . LYS A 1 32 ? -4.492 9.114 0.527 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 16 -ATOM 24479 C CA . LYS A 1 32 ? -3.538 8.839 1.590 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 16 -ATOM 24480 C C . LYS A 1 32 ? -2.179 8.508 0.981 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 16 -ATOM 24481 O O . LYS A 1 32 ? -1.140 8.832 1.549 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 16 -ATOM 24482 C CB . LYS A 1 32 ? -3.982 7.705 2.553 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 16 -ATOM 24483 C CG . LYS A 1 32 ? -5.434 7.747 3.057 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 16 -ATOM 24484 C CD . LYS A 1 32 ? -5.863 9.106 3.595 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 16 -ATOM 24485 C CE . LYS A 1 32 ? -5.067 9.544 4.798 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 16 -ATOM 24486 N NZ . LYS A 1 32 ? -5.254 8.668 5.974 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 16 -ATOM 24487 H H . LYS A 1 32 ? -5.261 8.520 0.375 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 16 -ATOM 24488 H HA . LYS A 1 32 ? -3.414 9.756 2.138 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 16 -ATOM 24489 H HB2 . LYS A 1 32 ? -3.851 6.761 2.052 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 16 -ATOM 24490 H HB3 . LYS A 1 32 ? -3.329 7.725 3.413 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 16 -ATOM 24491 H HG2 . LYS A 1 32 ? -6.089 7.496 2.236 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 16 -ATOM 24492 H HG3 . LYS A 1 32 ? -5.551 7.005 3.834 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 16 -ATOM 24493 H HD2 . LYS A 1 32 ? -5.735 9.842 2.814 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 16 -ATOM 24494 H HD3 . LYS A 1 32 ? -6.908 9.056 3.862 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 16 -ATOM 24495 H HE2 . LYS A 1 32 ? -4.023 9.558 4.526 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 16 -ATOM 24496 H HE3 . LYS A 1 32 ? -5.401 10.540 5.032 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 16 -ATOM 24497 H HZ1 . LYS A 1 32 ? -4.657 9.004 6.759 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 16 -ATOM 24498 H HZ2 . LYS A 1 32 ? -4.990 7.682 5.789 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 16 -ATOM 24499 H HZ3 . LYS A 1 32 ? -6.238 8.684 6.317 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 16 -ATOM 24500 N N . LEU A 1 33 ? -2.203 7.855 -0.162 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 16 -ATOM 24501 C CA . LEU A 1 33 ? -0.997 7.558 -0.908 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 16 -ATOM 24502 C C . LEU A 1 33 ? -0.408 8.846 -1.472 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 16 -ATOM 24503 O O . LEU A 1 33 ? 0.796 9.052 -1.442 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 16 -ATOM 24504 C CB . LEU A 1 33 ? -1.290 6.577 -2.044 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 16 -ATOM 24505 C CG . LEU A 1 33 ? -1.879 5.229 -1.631 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 16 -ATOM 24506 C CD1 . LEU A 1 33 ? -2.144 4.370 -2.848 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 16 -ATOM 24507 C CD2 . LEU A 1 33 ? -0.959 4.518 -0.654 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 16 -ATOM 24508 H H . LEU A 1 33 ? -3.066 7.540 -0.512 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 16 -ATOM 24509 H HA . LEU A 1 33 ? -0.286 7.109 -0.230 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 16 -ATOM 24510 H HB2 . LEU A 1 33 ? -1.980 7.053 -2.724 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 16 -ATOM 24511 H HB3 . LEU A 1 33 ? -0.368 6.393 -2.575 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 16 -ATOM 24512 H HG . LEU A 1 33 ? -2.827 5.399 -1.141 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 16 -ATOM 24513 H HD11 . LEU A 1 33 ? -2.831 4.878 -3.508 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 16 -ATOM 24514 H HD12 . LEU A 1 33 ? -2.573 3.429 -2.536 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 16 -ATOM 24515 H HD13 . LEU A 1 33 ? -1.214 4.191 -3.363 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 16 -ATOM 24516 H HD21 . LEU A 1 33 ? -0.860 5.123 0.235 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 16 -ATOM 24517 H HD22 . LEU A 1 33 ? 0.011 4.374 -1.106 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 16 -ATOM 24518 H HD23 . LEU A 1 33 ? -1.384 3.561 -0.392 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 16 -ATOM 24519 N N . VAL A 1 34 ? -1.278 9.719 -1.961 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 16 -ATOM 24520 C CA . VAL A 1 34 ? -0.864 10.993 -2.530 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 16 -ATOM 24521 C C . VAL A 1 34 ? -0.142 11.858 -1.486 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 16 -ATOM 24522 O O . VAL A 1 34 ? 0.931 12.392 -1.756 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 16 -ATOM 24523 C CB . VAL A 1 34 ? -2.081 11.762 -3.137 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 16 -ATOM 24524 C CG1 . VAL A 1 34 ? -1.691 13.154 -3.608 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 16 -ATOM 24525 C CG2 . VAL A 1 34 ? -2.657 10.978 -4.294 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 16 -ATOM 24526 H H . VAL A 1 34 ? -2.230 9.472 -1.956 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 16 -ATOM 24527 H HA . VAL A 1 34 ? -0.166 10.774 -3.325 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 16 -ATOM 24528 H HB . VAL A 1 34 ? -2.859 11.857 -2.391 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 16 -ATOM 24529 H HG11 . VAL A 1 34 ? -2.556 13.651 -4.024 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 16 -ATOM 24530 H HG12 . VAL A 1 34 ? -0.915 13.081 -4.356 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 16 -ATOM 24531 H HG13 . VAL A 1 34 ? -1.328 13.716 -2.761 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 16 -ATOM 24532 H HG21 . VAL A 1 34 ? -2.984 10.019 -3.920 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 16 -ATOM 24533 H HG22 . VAL A 1 34 ? -1.900 10.838 -5.051 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 16 -ATOM 24534 H HG23 . VAL A 1 34 ? -3.501 11.509 -4.709 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 16 -ATOM 24535 N N . GLU A 1 35 ? -0.696 11.944 -0.292 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 16 -ATOM 24536 C CA . GLU A 1 35 ? -0.059 12.696 0.780 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 16 -ATOM 24537 C C . GLU A 1 35 ? 1.218 12.003 1.262 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 16 -ATOM 24538 O O . GLU A 1 35 ? 2.227 12.653 1.541 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 16 -ATOM 24539 C CB . GLU A 1 35 ? -1.020 12.937 1.950 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 16 -ATOM 24540 C CG . GLU A 1 35 ? -1.598 11.675 2.524 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 16 -ATOM 24541 C CD . GLU A 1 35 ? -2.450 11.882 3.732 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 16 -ATOM 24542 O OE1 . GLU A 1 35 ? -3.596 12.336 3.596 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 16 -ATOM 24543 O OE2 . GLU A 1 35 ? -2.000 11.539 4.853 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 16 -ATOM 24544 H H . GLU A 1 35 ? -1.559 11.498 -0.138 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 16 -ATOM 24545 H HA . GLU A 1 35 ? 0.225 13.650 0.361 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 16 -ATOM 24546 H HB2 . GLU A 1 35 ? -0.490 13.455 2.735 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 16 -ATOM 24547 H HB3 . GLU A 1 35 ? -1.834 13.555 1.602 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 16 -ATOM 24548 H HG2 . GLU A 1 35 ? -2.195 11.216 1.752 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 16 -ATOM 24549 H HG3 . GLU A 1 35 ? -0.782 11.013 2.776 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 16 -ATOM 24550 N N . VAL A 1 36 ? 1.179 10.679 1.318 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 16 -ATOM 24551 C CA . VAL A 1 36 ? 2.288 9.914 1.828 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 16 -ATOM 24552 C C . VAL A 1 36 ? 3.494 10.031 0.907 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 16 -ATOM 24553 O O . VAL A 1 36 ? 4.590 9.997 1.357 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 16 -ATOM 24554 C CB . VAL A 1 36 ? 1.941 8.429 2.165 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 16 -ATOM 24555 C CG1 . VAL A 1 36 ? 2.118 7.475 0.986 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 16 -ATOM 24556 C CG2 . VAL A 1 36 ? 2.707 7.967 3.392 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 16 -ATOM 24557 H H . VAL A 1 36 ? 0.378 10.202 1.011 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 16 -ATOM 24558 H HA . VAL A 1 36 ? 2.570 10.418 2.742 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 16 -ATOM 24559 H HB . VAL A 1 36 ? 0.891 8.407 2.412 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 16 -ATOM 24560 H HG11 . VAL A 1 36 ? 1.534 7.828 0.149 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 16 -ATOM 24561 H HG12 . VAL A 1 36 ? 1.788 6.486 1.267 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 16 -ATOM 24562 H HG13 . VAL A 1 36 ? 3.161 7.440 0.707 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 16 -ATOM 24563 H HG21 . VAL A 1 36 ? 2.528 6.916 3.562 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 16 -ATOM 24564 H HG22 . VAL A 1 36 ? 2.365 8.528 4.250 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 16 -ATOM 24565 H HG23 . VAL A 1 36 ? 3.760 8.146 3.250 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 16 -ATOM 24566 N N . LEU A 1 37 ? 3.250 10.210 -0.386 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 16 -ATOM 24567 C CA . LEU A 1 37 ? 4.311 10.338 -1.396 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 16 -ATOM 24568 C C . LEU A 1 37 ? 5.339 11.420 -1.086 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 16 -ATOM 24569 O O . LEU A 1 37 ? 6.446 11.350 -1.598 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 16 -ATOM 24570 C CB . LEU A 1 37 ? 3.752 10.547 -2.808 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 16 -ATOM 24571 C CG . LEU A 1 37 ? 3.135 9.328 -3.494 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 16 -ATOM 24572 C CD1 . LEU A 1 37 ? 2.578 9.719 -4.853 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 16 -ATOM 24573 C CD2 . LEU A 1 37 ? 4.176 8.223 -3.652 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 16 -ATOM 24574 H H . LEU A 1 37 ? 2.314 10.226 -0.680 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 16 -ATOM 24575 H HA . LEU A 1 37 ? 4.855 9.406 -1.394 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 16 -ATOM 24576 H HB2 . LEU A 1 37 ? 2.995 11.314 -2.752 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 16 -ATOM 24577 H HB3 . LEU A 1 37 ? 4.555 10.913 -3.430 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 16 -ATOM 24578 H HG . LEU A 1 37 ? 2.323 8.949 -2.890 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 16 -ATOM 24579 H HD11 . LEU A 1 37 ? 3.378 10.101 -5.469 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 16 -ATOM 24580 H HD12 . LEU A 1 37 ? 1.828 10.486 -4.726 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 16 -ATOM 24581 H HD13 . LEU A 1 37 ? 2.138 8.855 -5.329 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 16 -ATOM 24582 H HD21 . LEU A 1 37 ? 4.500 7.877 -2.681 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 16 -ATOM 24583 H HD22 . LEU A 1 37 ? 5.026 8.615 -4.190 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 16 -ATOM 24584 H HD23 . LEU A 1 37 ? 3.752 7.400 -4.208 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 16 -ATOM 24585 N N . GLU A 1 38 ? 4.982 12.441 -0.297 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 16 -ATOM 24586 C CA . GLU A 1 38 ? 5.974 13.468 0.045 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 16 -ATOM 24587 C C . GLU A 1 38 ? 7.034 12.890 1.011 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 16 -ATOM 24588 O O . GLU A 1 38 ? 8.174 13.362 1.064 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 16 -ATOM 24589 C CB . GLU A 1 38 ? 5.325 14.715 0.657 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 16 -ATOM 24590 C CG . GLU A 1 38 ? 4.654 14.480 1.993 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 16 -ATOM 24591 C CD . GLU A 1 38 ? 4.166 15.745 2.622 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 16 -ATOM 24592 O OE1 . GLU A 1 38 ? 4.955 16.414 3.318 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 16 -ATOM 24593 O OE2 . GLU A 1 38 ? 2.980 16.102 2.450 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 16 -ATOM 24594 H H . GLU A 1 38 ? 4.071 12.488 0.072 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 16 -ATOM 24595 H HA . GLU A 1 38 ? 6.476 13.736 -0.873 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 16 -ATOM 24596 H HB2 . GLU A 1 38 ? 6.083 15.472 0.788 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 16 -ATOM 24597 H HB3 . GLU A 1 38 ? 4.583 15.090 -0.033 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 16 -ATOM 24598 H HG2 . GLU A 1 38 ? 3.810 13.821 1.849 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 16 -ATOM 24599 H HG3 . GLU A 1 38 ? 5.364 14.010 2.658 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 16 -ATOM 24600 N N . SER A 1 39 ? 6.650 11.863 1.745 1.00 0.00 ? ? ? ? ? ? 36 SER A N 16 -ATOM 24601 C CA . SER A 1 39 ? 7.511 11.208 2.693 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 16 -ATOM 24602 C C . SER A 1 39 ? 6.940 9.826 3.034 1.00 0.00 ? ? ? ? ? ? 36 SER A C 16 -ATOM 24603 O O . SER A 1 39 ? 6.304 9.659 4.053 1.00 0.00 ? ? ? ? ? ? 36 SER A O 16 -ATOM 24604 C CB . SER A 1 39 ? 7.660 12.079 3.959 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 16 -ATOM 24605 O OG . SER A 1 39 ? 6.379 12.417 4.499 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 16 -ATOM 24606 H H . SER A 1 39 ? 5.744 11.496 1.635 1.00 0.00 ? ? ? ? ? ? 36 SER A H 16 -ATOM 24607 H HA . SER A 1 39 ? 8.482 11.073 2.242 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 16 -ATOM 24608 H HB2 . SER A 1 39 ? 8.220 11.536 4.706 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 16 -ATOM 24609 H HB3 . SER A 1 39 ? 8.180 12.991 3.708 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 16 -ATOM 24610 H HG . SER A 1 39 ? 5.898 11.582 4.571 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 16 -ATOM 24611 N N . PRO A 1 40 ? 7.080 8.827 2.137 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 16 -ATOM 24612 C CA . PRO A 1 40 ? 6.506 7.494 2.369 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 16 -ATOM 24613 C C . PRO A 1 40 ? 7.367 6.653 3.288 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 16 -ATOM 24614 O O . PRO A 1 40 ? 6.989 5.570 3.702 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 16 -ATOM 24615 C CB . PRO A 1 40 ? 6.432 6.889 0.972 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 16 -ATOM 24616 C CG . PRO A 1 40 ? 7.543 7.536 0.225 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 16 -ATOM 24617 C CD . PRO A 1 40 ? 7.721 8.921 0.810 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 16 -ATOM 24618 H HA . PRO A 1 40 ? 5.517 7.558 2.794 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 16 -ATOM 24619 H HB2 . PRO A 1 40 ? 6.558 5.819 1.036 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 16 -ATOM 24620 H HB3 . PRO A 1 40 ? 5.474 7.118 0.530 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 16 -ATOM 24621 H HG2 . PRO A 1 40 ? 8.450 6.961 0.347 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 16 -ATOM 24622 H HG3 . PRO A 1 40 ? 7.284 7.607 -0.821 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 16 -ATOM 24623 H HD2 . PRO A 1 40 ? 8.769 9.167 0.902 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 16 -ATOM 24624 H HD3 . PRO A 1 40 ? 7.217 9.653 0.196 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 16 -ATOM 24625 N N . ARG A 1 41 ? 8.502 7.187 3.638 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 16 -ATOM 24626 C CA . ARG A 1 41 ? 9.428 6.515 4.500 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 16 -ATOM 24627 C C . ARG A 1 41 ? 9.191 6.874 5.976 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 16 -ATOM 24628 O O . ARG A 1 41 ? 10.116 7.008 6.765 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 16 -ATOM 24629 C CB . ARG A 1 41 ? 10.884 6.719 4.000 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 16 -ATOM 24630 C CG . ARG A 1 41 ? 11.314 8.158 3.659 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 16 -ATOM 24631 C CD . ARG A 1 41 ? 11.568 9.012 4.887 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 16 -ATOM 24632 N NE . ARG A 1 41 ? 12.631 8.456 5.737 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 16 -ATOM 24633 C CZ . ARG A 1 41 ? 12.919 8.884 6.973 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 16 -ATOM 24634 N NH1 . ARG A 1 41 ? 12.270 9.926 7.492 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 16 -ATOM 24635 N NH2 . ARG A 1 41 ? 13.879 8.296 7.673 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 16 -ATOM 24636 H H . ARG A 1 41 ? 8.694 8.083 3.295 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 16 -ATOM 24637 H HA . ARG A 1 41 ? 9.185 5.466 4.409 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 16 -ATOM 24638 H HB2 . ARG A 1 41 ? 11.544 6.366 4.777 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 16 -ATOM 24639 H HB3 . ARG A 1 41 ? 11.031 6.104 3.125 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 16 -ATOM 24640 H HG2 . ARG A 1 41 ? 12.213 8.128 3.064 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 16 -ATOM 24641 H HG3 . ARG A 1 41 ? 10.530 8.613 3.071 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 16 -ATOM 24642 H HD2 . ARG A 1 41 ? 11.868 9.995 4.555 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 16 -ATOM 24643 H HD3 . ARG A 1 41 ? 10.656 9.085 5.462 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 16 -ATOM 24644 H HE . ARG A 1 41 ? 13.134 7.703 5.347 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 16 -ATOM 24645 H HH11 . ARG A 1 41 ? 11.558 10.421 6.987 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 16 -ATOM 24646 H HH12 . ARG A 1 41 ? 12.475 10.255 8.420 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 16 -ATOM 24647 H HH21 . ARG A 1 41 ? 14.418 7.525 7.321 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 16 -ATOM 24648 H HH22 . ARG A 1 41 ? 14.103 8.614 8.598 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 16 -ATOM 24649 N N . ILE A 1 42 ? 7.925 6.945 6.345 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 16 -ATOM 24650 C CA . ILE A 1 42 ? 7.536 7.243 7.705 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 16 -ATOM 24651 C C . ILE A 1 42 ? 7.604 5.955 8.510 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 16 -ATOM 24652 O O . ILE A 1 42 ? 6.661 5.145 8.520 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 16 -ATOM 24653 C CB . ILE A 1 42 ? 6.107 7.885 7.776 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 16 -ATOM 24654 C CG1 . ILE A 1 42 ? 6.118 9.231 7.043 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 16 -ATOM 24655 C CG2 . ILE A 1 42 ? 5.642 8.071 9.225 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 16 -ATOM 24656 C CD1 . ILE A 1 42 ? 4.769 9.920 6.944 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 16 -ATOM 24657 H H . ILE A 1 42 ? 7.236 6.750 5.673 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 16 -ATOM 24658 H HA . ILE A 1 42 ? 8.263 7.935 8.107 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 16 -ATOM 24659 H HB . ILE A 1 42 ? 5.412 7.226 7.278 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 16 -ATOM 24660 H HG12 . ILE A 1 42 ? 6.786 9.902 7.561 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 16 -ATOM 24661 H HG13 . ILE A 1 42 ? 6.489 9.077 6.039 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 16 -ATOM 24662 H HG21 . ILE A 1 42 ? 4.639 8.470 9.233 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 16 -ATOM 24663 H HG22 . ILE A 1 42 ? 6.299 8.770 9.719 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 16 -ATOM 24664 H HG23 . ILE A 1 42 ? 5.662 7.120 9.738 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 16 -ATOM 24665 H HD11 . ILE A 1 42 ? 4.395 10.146 7.932 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 16 -ATOM 24666 H HD12 . ILE A 1 42 ? 4.074 9.275 6.428 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 16 -ATOM 24667 H HD13 . ILE A 1 42 ? 4.892 10.835 6.381 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 16 -ATOM 24668 N N . GLU A 1 43 ? 8.759 5.762 9.141 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 16 -ATOM 24669 C CA . GLU A 1 43 ? 9.111 4.563 9.900 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 16 -ATOM 24670 C C . GLU A 1 43 ? 8.111 4.211 11.010 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 16 -ATOM 24671 O O . GLU A 1 43 ? 8.054 3.071 11.462 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 16 -ATOM 24672 C CB . GLU A 1 43 ? 10.555 4.661 10.422 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 16 -ATOM 24673 C CG . GLU A 1 43 ? 10.863 5.931 11.201 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 16 -ATOM 24674 C CD . GLU A 1 43 ? 12.312 6.027 11.614 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 16 -ATOM 24675 O OE1 . GLU A 1 43 ? 13.147 6.506 10.808 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 16 -ATOM 24676 O OE2 . GLU A 1 43 ? 12.641 5.653 12.756 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 16 -ATOM 24677 H H . GLU A 1 43 ? 9.430 6.474 9.068 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 16 -ATOM 24678 H HA . GLU A 1 43 ? 9.082 3.760 9.180 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 16 -ATOM 24679 H HB2 . GLU A 1 43 ? 10.749 3.816 11.066 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 16 -ATOM 24680 H HB3 . GLU A 1 43 ? 11.228 4.613 9.578 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 16 -ATOM 24681 H HG2 . GLU A 1 43 ? 10.628 6.785 10.585 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 16 -ATOM 24682 H HG3 . GLU A 1 43 ? 10.249 5.952 12.090 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 16 -ATOM 24683 N N . ALA A 1 44 ? 7.305 5.174 11.407 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 16 -ATOM 24684 C CA . ALA A 1 44 ? 6.254 4.953 12.387 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 16 -ATOM 24685 C C . ALA A 1 44 ? 5.189 3.989 11.843 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 16 -ATOM 24686 O O . ALA A 1 44 ? 4.625 3.185 12.584 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 16 -ATOM 24687 C CB . ALA A 1 44 ? 5.606 6.277 12.757 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 16 -ATOM 24688 H H . ALA A 1 44 ? 7.454 6.072 11.040 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 16 -ATOM 24689 H HA . ALA A 1 44 ? 6.697 4.529 13.276 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 16 -ATOM 24690 H HB1 . ALA A 1 44 ? 6.362 6.957 13.121 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 16 -ATOM 24691 H HB2 . ALA A 1 44 ? 4.863 6.116 13.524 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 16 -ATOM 24692 H HB3 . ALA A 1 44 ? 5.131 6.702 11.885 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 16 -ATOM 24693 N N . ASN A 1 45 ? 4.961 4.038 10.543 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 16 -ATOM 24694 C CA . ASN A 1 45 ? 3.924 3.216 9.898 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 16 -ATOM 24695 C C . ASN A 1 45 ? 4.540 2.011 9.230 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 16 -ATOM 24696 O O . ASN A 1 45 ? 3.871 1.288 8.484 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 16 -ATOM 24697 C CB . ASN A 1 45 ? 3.158 4.023 8.835 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 16 -ATOM 24698 C CG . ASN A 1 45 ? 2.353 5.175 9.394 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 16 -ATOM 24699 O OD1 . ASN A 1 45 ? 1.866 5.130 10.531 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 16 -ATOM 24700 N ND2 . ASN A 1 45 ? 2.202 6.215 8.604 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 16 -ATOM 24701 H H . ASN A 1 45 ? 5.516 4.621 9.977 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 16 -ATOM 24702 H HA . ASN A 1 45 ? 3.227 2.889 10.654 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 16 -ATOM 24703 H HB2 . ASN A 1 45 ? 3.868 4.429 8.128 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 16 -ATOM 24704 H HB3 . ASN A 1 45 ? 2.489 3.357 8.309 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 16 -ATOM 24705 H HD21 . ASN A 1 45 ? 2.607 6.193 7.712 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 16 -ATOM 24706 H HD22 . ASN A 1 45 ? 1.687 6.984 8.932 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 16 -ATOM 24707 N N . LYS A 1 46 ? 5.801 1.796 9.489 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 16 -ATOM 24708 C CA . LYS A 1 46 ? 6.532 0.755 8.901 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 16 -ATOM 24709 C C . LYS A 1 46 ? 6.262 -0.547 9.623 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 16 -ATOM 24710 O O . LYS A 1 46 ? 6.056 -0.563 10.840 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 16 -ATOM 24711 C CB . LYS A 1 46 ? 7.985 1.134 8.985 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 16 -ATOM 24712 C CG . LYS A 1 46 ? 8.841 0.442 8.010 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 16 -ATOM 24713 C CD . LYS A 1 46 ? 10.198 1.105 7.929 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 16 -ATOM 24714 C CE . LYS A 1 46 ? 10.950 0.638 6.712 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 16 -ATOM 24715 N NZ . LYS A 1 46 ? 12.132 1.468 6.438 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 16 -ATOM 24716 H H . LYS A 1 46 ? 6.318 2.350 10.104 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 16 -ATOM 24717 H HA . LYS A 1 46 ? 6.264 0.672 7.859 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 16 -ATOM 24718 H HB2 . LYS A 1 46 ? 8.051 2.193 8.793 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 16 -ATOM 24719 H HB3 . LYS A 1 46 ? 8.350 0.931 9.982 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 16 -ATOM 24720 H HG2 . LYS A 1 46 ? 8.910 -0.590 8.315 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 16 -ATOM 24721 H HG3 . LYS A 1 46 ? 8.315 0.546 7.075 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 16 -ATOM 24722 H HD2 . LYS A 1 46 ? 10.067 2.176 7.867 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 16 -ATOM 24723 H HD3 . LYS A 1 46 ? 10.765 0.857 8.813 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 16 -ATOM 24724 H HE2 . LYS A 1 46 ? 11.254 -0.390 6.842 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 16 -ATOM 24725 H HE3 . LYS A 1 46 ? 10.274 0.711 5.872 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 16 -ATOM 24726 H HZ1 . LYS A 1 46 ? 12.575 1.157 5.544 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 16 -ATOM 24727 H HZ2 . LYS A 1 46 ? 12.836 1.409 7.200 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 16 -ATOM 24728 H HZ3 . LYS A 1 46 ? 11.864 2.467 6.318 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 16 -ATOM 24729 N N . LEU A 1 47 ? 6.232 -1.612 8.875 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 16 -ATOM 24730 C CA . LEU A 1 47 ? 5.995 -2.920 9.412 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 16 -ATOM 24731 C C . LEU A 1 47 ? 7.268 -3.455 10.029 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 16 -ATOM 24732 O O . LEU A 1 47 ? 8.368 -3.089 9.600 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 16 -ATOM 24733 C CB . LEU A 1 47 ? 5.459 -3.842 8.331 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 16 -ATOM 24734 C CG . LEU A 1 47 ? 4.123 -3.420 7.723 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 16 -ATOM 24735 C CD1 . LEU A 1 47 ? 3.663 -4.403 6.682 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 16 -ATOM 24736 C CD2 . LEU A 1 47 ? 3.077 -3.280 8.792 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 16 -ATOM 24737 H H . LEU A 1 47 ? 6.392 -1.511 7.908 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 16 -ATOM 24738 H HA . LEU A 1 47 ? 5.250 -2.818 10.187 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 16 -ATOM 24739 H HB2 . LEU A 1 47 ? 6.187 -3.858 7.535 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 16 -ATOM 24740 H HB3 . LEU A 1 47 ? 5.351 -4.836 8.737 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 16 -ATOM 24741 H HG . LEU A 1 47 ? 4.242 -2.458 7.245 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 16 -ATOM 24742 H HD11 . LEU A 1 47 ? 4.384 -4.463 5.881 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 16 -ATOM 24743 H HD12 . LEU A 1 47 ? 2.711 -4.062 6.302 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 16 -ATOM 24744 H HD13 . LEU A 1 47 ? 3.535 -5.369 7.143 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 16 -ATOM 24745 H HD21 . LEU A 1 47 ? 3.372 -2.515 9.493 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 16 -ATOM 24746 H HD22 . LEU A 1 47 ? 2.956 -4.224 9.304 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 16 -ATOM 24747 H HD23 . LEU A 1 47 ? 2.151 -2.994 8.319 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 16 -ATOM 24748 N N . ARG A 1 48 ? 7.115 -4.321 11.007 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 16 -ATOM 24749 C CA . ARG A 1 48 ? 8.216 -4.798 11.830 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 16 -ATOM 24750 C C . ARG A 1 48 ? 9.272 -5.579 11.027 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 16 -ATOM 24751 O O . ARG A 1 48 ? 10.348 -5.053 10.732 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 16 -ATOM 24752 C CB . ARG A 1 48 ? 7.670 -5.651 12.980 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 16 -ATOM 24753 C CG . ARG A 1 48 ? 8.648 -5.891 14.115 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 16 -ATOM 24754 C CD . ARG A 1 48 ? 9.006 -4.584 14.795 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 16 -ATOM 24755 N NE . ARG A 1 48 ? 9.827 -4.765 15.993 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 16 -ATOM 24756 C CZ . ARG A 1 48 ? 10.038 -3.813 16.918 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 16 -ATOM 24757 N NH1 . ARG A 1 48 ? 9.388 -2.652 16.841 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 16 -ATOM 24758 N NH2 . ARG A 1 48 ? 10.863 -4.040 17.936 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 16 -ATOM 24759 H H . ARG A 1 48 ? 6.209 -4.651 11.191 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 16 -ATOM 24760 H HA . ARG A 1 48 ? 8.686 -3.926 12.259 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 16 -ATOM 24761 H HB2 . ARG A 1 48 ? 6.792 -5.169 13.384 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 16 -ATOM 24762 H HB3 . ARG A 1 48 ? 7.383 -6.609 12.573 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 16 -ATOM 24763 H HG2 . ARG A 1 48 ? 8.188 -6.548 14.838 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 16 -ATOM 24764 H HG3 . ARG A 1 48 ? 9.546 -6.343 13.721 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 16 -ATOM 24765 H HD2 . ARG A 1 48 ? 9.565 -3.975 14.101 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 16 -ATOM 24766 H HD3 . ARG A 1 48 ? 8.098 -4.070 15.065 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 16 -ATOM 24767 H HE . ARG A 1 48 ? 10.249 -5.653 16.067 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 16 -ATOM 24768 H HH11 . ARG A 1 48 ? 8.732 -2.465 16.103 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 16 -ATOM 24769 H HH12 . ARG A 1 48 ? 9.528 -1.905 17.499 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 16 -ATOM 24770 H HH21 . ARG A 1 48 ? 11.349 -4.913 18.045 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 16 -ATOM 24771 H HH22 . ARG A 1 48 ? 11.044 -3.348 18.637 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 16 -ATOM 24772 N N . GLY A 1 49 ? 8.955 -6.800 10.642 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 16 -ATOM 24773 C CA . GLY A 1 49 ? 9.921 -7.630 9.949 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 16 -ATOM 24774 C C . GLY A 1 49 ? 9.642 -7.702 8.475 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 16 -ATOM 24775 O O . GLY A 1 49 ? 9.705 -8.770 7.872 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 16 -ATOM 24776 H H . GLY A 1 49 ? 8.056 -7.161 10.800 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 16 -ATOM 24777 H HA2 . GLY A 1 49 ? 10.908 -7.219 10.102 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 16 -ATOM 24778 H HA3 . GLY A 1 49 ? 9.887 -8.628 10.363 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 16 -ATOM 24779 N N . MET A 1 50 ? 9.326 -6.578 7.895 1.00 0.00 ? ? ? ? ? ? 47 MET A N 16 -ATOM 24780 C CA . MET A 1 50 ? 8.991 -6.518 6.491 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 16 -ATOM 24781 C C . MET A 1 50 ? 9.901 -5.508 5.812 1.00 0.00 ? ? ? ? ? ? 47 MET A C 16 -ATOM 24782 O O . MET A 1 50 ? 9.967 -4.351 6.252 1.00 0.00 ? ? ? ? ? ? 47 MET A O 16 -ATOM 24783 C CB . MET A 1 50 ? 7.534 -6.099 6.320 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 16 -ATOM 24784 C CG . MET A 1 50 ? 6.515 -7.033 6.969 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 16 -ATOM 24785 S SD . MET A 1 50 ? 6.367 -8.639 6.152 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 16 -ATOM 24786 C CE . MET A 1 50 ? 5.602 -8.152 4.603 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 16 -ATOM 24787 H H . MET A 1 50 ? 9.353 -5.745 8.412 1.00 0.00 ? ? ? ? ? ? 47 MET A H 16 -ATOM 24788 H HA . MET A 1 50 ? 9.135 -7.499 6.068 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 16 -ATOM 24789 H HB2 . MET A 1 50 ? 7.435 -5.117 6.756 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 16 -ATOM 24790 H HB3 . MET A 1 50 ? 7.315 -6.032 5.264 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 16 -ATOM 24791 H HG2 . MET A 1 50 ? 6.807 -7.200 7.995 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 16 -ATOM 24792 H HG3 . MET A 1 50 ? 5.554 -6.542 6.944 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 16 -ATOM 24793 H HE1 . MET A 1 50 ? 4.650 -7.687 4.809 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 16 -ATOM 24794 H HE2 . MET A 1 50 ? 5.442 -9.029 3.994 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 16 -ATOM 24795 H HE3 . MET A 1 50 ? 6.241 -7.457 4.079 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 16 -ATOM 24796 N N . PRO A 1 51 ? 10.617 -5.924 4.750 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 16 -ATOM 24797 C CA . PRO A 1 51 ? 11.565 -5.062 4.034 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 16 -ATOM 24798 C C . PRO A 1 51 ? 10.902 -3.816 3.439 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 16 -ATOM 24799 O O . PRO A 1 51 ? 10.205 -3.887 2.400 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 16 -ATOM 24800 C CB . PRO A 1 51 ? 12.139 -5.962 2.928 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 16 -ATOM 24801 C CG . PRO A 1 51 ? 11.164 -7.083 2.798 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 16 -ATOM 24802 C CD . PRO A 1 51 ? 10.560 -7.271 4.159 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 16 -ATOM 24803 H HA . PRO A 1 51 ? 12.361 -4.747 4.693 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 16 -ATOM 24804 H HB2 . PRO A 1 51 ? 12.224 -5.398 2.010 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 16 -ATOM 24805 H HB3 . PRO A 1 51 ? 13.115 -6.319 3.225 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 16 -ATOM 24806 H HG2 . PRO A 1 51 ? 10.398 -6.818 2.084 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 16 -ATOM 24807 H HG3 . PRO A 1 51 ? 11.674 -7.982 2.483 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 16 -ATOM 24808 H HD2 . PRO A 1 51 ? 9.535 -7.604 4.075 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 16 -ATOM 24809 H HD3 . PRO A 1 51 ? 11.144 -7.971 4.738 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 16 -ATOM 24810 N N . ASP A 1 52 ? 11.052 -2.709 4.168 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 16 -ATOM 24811 C CA . ASP A 1 52 ? 10.544 -1.382 3.793 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 16 -ATOM 24812 C C . ASP A 1 52 ? 9.070 -1.377 3.454 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 16 -ATOM 24813 O O . ASP A 1 52 ? 8.627 -0.659 2.552 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 16 -ATOM 24814 C CB . ASP A 1 52 ? 11.380 -0.716 2.688 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 16 -ATOM 24815 C CG . ASP A 1 52 ? 12.713 -0.215 3.186 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 16 -ATOM 24816 O OD1 . ASP A 1 52 ? 12.756 0.816 3.905 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 16 -ATOM 24817 O OD2 . ASP A 1 52 ? 13.747 -0.825 2.877 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 16 -ATOM 24818 H H . ASP A 1 52 ? 11.527 -2.809 5.022 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 16 -ATOM 24819 H HA . ASP A 1 52 ? 10.651 -0.791 4.689 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 16 -ATOM 24820 H HB2 . ASP A 1 52 ? 11.559 -1.430 1.899 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 16 -ATOM 24821 H HB3 . ASP A 1 52 ? 10.829 0.121 2.285 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 16 -ATOM 24822 N N . CYS A 1 53 ? 8.299 -2.132 4.203 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 16 -ATOM 24823 C CA . CYS A 1 53 ? 6.883 -2.170 3.977 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 16 -ATOM 24824 C C . CYS A 1 53 ? 6.196 -1.272 4.994 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 16 -ATOM 24825 O O . CYS A 1 53 ? 6.603 -1.217 6.159 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 16 -ATOM 24826 C CB . CYS A 1 53 ? 6.376 -3.600 4.092 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 16 -ATOM 24827 S SG . CYS A 1 53 ? 7.253 -4.782 3.034 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 16 -ATOM 24828 H H . CYS A 1 53 ? 8.684 -2.667 4.929 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 16 -ATOM 24829 H HA . CYS A 1 53 ? 6.683 -1.798 2.986 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 16 -ATOM 24830 H HB2 . CYS A 1 53 ? 6.486 -3.929 5.116 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 16 -ATOM 24831 H HB3 . CYS A 1 53 ? 5.331 -3.627 3.822 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 16 -ATOM 24832 H HG . CYS A 1 53 ? 8.392 -4.220 2.645 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 16 -ATOM 24833 N N . TYR A 1 54 ? 5.180 -0.582 4.556 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 16 -ATOM 24834 C CA . TYR A 1 54 ? 4.450 0.357 5.368 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 16 -ATOM 24835 C C . TYR A 1 54 ? 2.974 0.090 5.209 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 16 -ATOM 24836 O O . TYR A 1 54 ? 2.542 -0.505 4.209 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 16 -ATOM 24837 C CB . TYR A 1 54 ? 4.743 1.815 4.941 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 16 -ATOM 24838 C CG . TYR A 1 54 ? 6.195 2.249 5.038 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 16 -ATOM 24839 C CD1 . TYR A 1 54 ? 7.127 1.853 4.097 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 16 -ATOM 24840 C CD2 . TYR A 1 54 ? 6.624 3.060 6.069 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 16 -ATOM 24841 C CE1 . TYR A 1 54 ? 8.440 2.243 4.188 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 16 -ATOM 24842 C CE2 . TYR A 1 54 ? 7.943 3.456 6.157 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 16 -ATOM 24843 C CZ . TYR A 1 54 ? 8.842 3.041 5.212 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 16 -ATOM 24844 O OH . TYR A 1 54 ? 10.171 3.418 5.310 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 16 -ATOM 24845 H H . TYR A 1 54 ? 4.869 -0.709 3.631 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 16 -ATOM 24846 H HA . TYR A 1 54 ? 4.735 0.225 6.401 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 16 -ATOM 24847 H HB2 . TYR A 1 54 ? 4.432 1.953 3.917 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 16 -ATOM 24848 H HB3 . TYR A 1 54 ? 4.161 2.468 5.576 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 16 -ATOM 24849 H HD1 . TYR A 1 54 ? 6.809 1.218 3.284 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 16 -ATOM 24850 H HD2 . TYR A 1 54 ? 5.914 3.385 6.813 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 16 -ATOM 24851 H HE1 . TYR A 1 54 ? 9.152 1.921 3.446 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 16 -ATOM 24852 H HE2 . TYR A 1 54 ? 8.259 4.092 6.971 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 16 -ATOM 24853 H HH . TYR A 1 54 ? 10.517 3.640 4.435 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 16 -ATOM 24854 N N . LYS A 1 55 ? 2.216 0.513 6.164 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 16 -ATOM 24855 C CA . LYS A 1 55 ? 0.794 0.329 6.159 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 16 -ATOM 24856 C C . LYS A 1 55 ? 0.101 1.662 6.375 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 16 -ATOM 24857 O O . LYS A 1 55 ? 0.605 2.530 7.099 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 16 -ATOM 24858 C CB . LYS A 1 55 ? 0.396 -0.638 7.282 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 16 -ATOM 24859 C CG . LYS A 1 55 ? 0.895 -0.169 8.636 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 16 -ATOM 24860 C CD . LYS A 1 55 ? 0.513 -1.071 9.779 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 16 -ATOM 24861 C CE . LYS A 1 55 ? 1.247 -0.620 11.019 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 16 -ATOM 24862 N NZ . LYS A 1 55 ? 0.851 -1.353 12.225 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 16 -ATOM 24863 H H . LYS A 1 55 ? 2.621 0.985 6.925 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 16 -ATOM 24864 H HA . LYS A 1 55 ? 0.494 -0.096 5.213 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 16 -ATOM 24865 H HB2 . LYS A 1 55 ? -0.682 -0.716 7.316 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 16 -ATOM 24866 H HB3 . LYS A 1 55 ? 0.820 -1.609 7.079 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 16 -ATOM 24867 H HG2 . LYS A 1 55 ? 1.971 -0.082 8.607 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 16 -ATOM 24868 H HG3 . LYS A 1 55 ? 0.468 0.809 8.808 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 16 -ATOM 24869 H HD2 . LYS A 1 55 ? -0.552 -1.005 9.949 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 16 -ATOM 24870 H HD3 . LYS A 1 55 ? 0.787 -2.090 9.555 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 16 -ATOM 24871 H HE2 . LYS A 1 55 ? 2.301 -0.781 10.852 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 16 -ATOM 24872 H HE3 . LYS A 1 55 ? 1.069 0.435 11.144 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 16 -ATOM 24873 H HZ1 . LYS A 1 55 ? 1.118 -2.356 12.176 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 16 -ATOM 24874 H HZ2 . LYS A 1 55 ? -0.178 -1.299 12.361 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 16 -ATOM 24875 H HZ3 . LYS A 1 55 ? 1.290 -0.932 13.069 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 16 -ATOM 24876 N N . ILE A 1 56 ? -1.010 1.833 5.735 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 16 -ATOM 24877 C CA . ILE A 1 56 ? -1.848 2.978 5.957 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 16 -ATOM 24878 C C . ILE A 1 56 ? -3.235 2.478 6.254 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 16 -ATOM 24879 O O . ILE A 1 56 ? -3.752 1.615 5.530 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 16 -ATOM 24880 C CB . ILE A 1 56 ? -1.909 3.958 4.732 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 16 -ATOM 24881 C CG1 . ILE A 1 56 ? -0.537 4.589 4.450 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 16 -ATOM 24882 C CG2 . ILE A 1 56 ? -2.960 5.056 4.959 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 16 -ATOM 24883 C CD1 . ILE A 1 56 ? -0.530 5.542 3.269 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 16 -ATOM 24884 H H . ILE A 1 56 ? -1.299 1.156 5.079 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 16 -ATOM 24885 H HA . ILE A 1 56 ? -1.461 3.502 6.818 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 16 -ATOM 24886 H HB . ILE A 1 56 ? -2.217 3.385 3.870 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 16 -ATOM 24887 H HG12 . ILE A 1 56 ? -0.236 5.159 5.316 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 16 -ATOM 24888 H HG13 . ILE A 1 56 ? 0.187 3.810 4.262 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 16 -ATOM 24889 H HG21 . ILE A 1 56 ? -2.988 5.708 4.099 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 16 -ATOM 24890 H HG22 . ILE A 1 56 ? -2.700 5.631 5.836 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 16 -ATOM 24891 H HG23 . ILE A 1 56 ? -3.930 4.603 5.101 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 16 -ATOM 24892 H HD11 . ILE A 1 56 ? -0.853 5.015 2.384 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 16 -ATOM 24893 H HD12 . ILE A 1 56 ? 0.467 5.928 3.121 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 16 -ATOM 24894 H HD13 . ILE A 1 56 ? -1.205 6.361 3.464 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 16 -ATOM 24895 N N . LYS A 1 57 ? -3.821 2.942 7.316 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 16 -ATOM 24896 C CA . LYS A 1 57 ? -5.180 2.588 7.572 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 16 -ATOM 24897 C C . LYS A 1 57 ? -6.053 3.782 7.281 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 16 -ATOM 24898 O O . LYS A 1 57 ? -5.663 4.933 7.554 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 16 -ATOM 24899 C CB . LYS A 1 57 ? -5.454 1.986 8.983 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 16 -ATOM 24900 C CG . LYS A 1 57 ? -5.506 2.960 10.143 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 16 -ATOM 24901 C CD . LYS A 1 57 ? -4.178 3.595 10.436 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 16 -ATOM 24902 C CE . LYS A 1 57 ? -4.331 4.645 11.487 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 16 -ATOM 24903 N NZ . LYS A 1 57 ? -4.847 4.090 12.754 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 16 -ATOM 24904 H H . LYS A 1 57 ? -3.327 3.561 7.896 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 16 -ATOM 24905 H HA . LYS A 1 57 ? -5.399 1.849 6.824 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 16 -ATOM 24906 H HB2 . LYS A 1 57 ? -6.409 1.481 8.952 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 16 -ATOM 24907 H HB3 . LYS A 1 57 ? -4.688 1.253 9.188 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 16 -ATOM 24908 H HG2 . LYS A 1 57 ? -6.213 3.740 9.907 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 16 -ATOM 24909 H HG3 . LYS A 1 57 ? -5.844 2.428 11.020 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 16 -ATOM 24910 H HD2 . LYS A 1 57 ? -3.475 2.847 10.771 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 16 -ATOM 24911 H HD3 . LYS A 1 57 ? -3.821 4.065 9.534 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 16 -ATOM 24912 H HE2 . LYS A 1 57 ? -3.379 5.131 11.634 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 16 -ATOM 24913 H HE3 . LYS A 1 57 ? -5.050 5.336 11.073 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 16 -ATOM 24914 H HZ1 . LYS A 1 57 ? -4.219 3.350 13.128 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 16 -ATOM 24915 H HZ2 . LYS A 1 57 ? -5.787 3.663 12.633 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 16 -ATOM 24916 H HZ3 . LYS A 1 57 ? -4.935 4.821 13.487 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 16 -ATOM 24917 N N . LEU A 1 58 ? -7.174 3.539 6.694 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 16 -ATOM 24918 C CA . LEU A 1 58 ? -8.092 4.584 6.352 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 16 -ATOM 24919 C C . LEU A 1 58 ? -8.800 4.967 7.644 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 16 -ATOM 24920 O O . LEU A 1 58 ? -9.074 4.097 8.459 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 16 -ATOM 24921 C CB . LEU A 1 58 ? -9.105 4.027 5.333 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 16 -ATOM 24922 C CG . LEU A 1 58 ? -9.669 4.984 4.266 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 16 -ATOM 24923 C CD1 . LEU A 1 58 ? -10.668 4.258 3.395 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 16 -ATOM 24924 C CD2 . LEU A 1 58 ? -10.309 6.206 4.871 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 16 -ATOM 24925 H H . LEU A 1 58 ? -7.427 2.608 6.493 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 16 -ATOM 24926 H HA . LEU A 1 58 ? -7.562 5.425 5.933 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 16 -ATOM 24927 H HB2 . LEU A 1 58 ? -8.633 3.204 4.818 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 16 -ATOM 24928 H HB3 . LEU A 1 58 ? -9.936 3.626 5.894 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 16 -ATOM 24929 H HG . LEU A 1 58 ? -8.857 5.298 3.625 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 16 -ATOM 24930 H HD11 . LEU A 1 58 ? -10.181 3.423 2.912 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 16 -ATOM 24931 H HD12 . LEU A 1 58 ? -11.053 4.932 2.644 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 16 -ATOM 24932 H HD13 . LEU A 1 58 ? -11.481 3.893 4.003 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 16 -ATOM 24933 H HD21 . LEU A 1 58 ? -11.112 5.898 5.524 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 16 -ATOM 24934 H HD22 . LEU A 1 58 ? -10.703 6.835 4.086 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 16 -ATOM 24935 H HD23 . LEU A 1 58 ? -9.575 6.753 5.443 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 16 -ATOM 24936 N N . ARG A 1 59 ? -9.021 6.249 7.869 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 16 -ATOM 24937 C CA . ARG A 1 59 ? -9.744 6.676 9.053 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 16 -ATOM 24938 C C . ARG A 1 59 ? -11.187 6.189 8.969 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 16 -ATOM 24939 O O . ARG A 1 59 ? -11.714 5.596 9.905 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 16 -ATOM 24940 C CB . ARG A 1 59 ? -9.694 8.196 9.200 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 16 -ATOM 24941 C CG . ARG A 1 59 ? -10.480 8.728 10.382 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 16 -ATOM 24942 C CD . ARG A 1 59 ? -10.381 10.233 10.468 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 16 -ATOM 24943 N NE . ARG A 1 59 ? -11.230 10.776 11.533 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 16 -ATOM 24944 C CZ . ARG A 1 59 ? -11.078 11.981 12.095 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 16 -ATOM 24945 N NH1 . ARG A 1 59 ? -9.986 12.704 11.852 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 16 -ATOM 24946 N NH2 . ARG A 1 59 ? -11.984 12.430 12.943 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 16 -ATOM 24947 H H . ARG A 1 59 ? -8.684 6.924 7.241 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 16 -ATOM 24948 H HA . ARG A 1 59 ? -9.273 6.215 9.909 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 16 -ATOM 24949 H HB2 . ARG A 1 59 ? -8.664 8.504 9.311 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 16 -ATOM 24950 H HB3 . ARG A 1 59 ? -10.093 8.643 8.302 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 16 -ATOM 24951 H HG2 . ARG A 1 59 ? -11.517 8.448 10.270 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 16 -ATOM 24952 H HG3 . ARG A 1 59 ? -10.085 8.296 11.290 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 16 -ATOM 24953 H HD2 . ARG A 1 59 ? -9.353 10.501 10.661 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 16 -ATOM 24954 H HD3 . ARG A 1 59 ? -10.689 10.655 9.523 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 16 -ATOM 24955 H HE . ARG A 1 59 ? -11.988 10.197 11.784 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 16 -ATOM 24956 H HH11 . ARG A 1 59 ? -9.246 12.390 11.249 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 16 -ATOM 24957 H HH12 . ARG A 1 59 ? -9.833 13.609 12.257 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 16 -ATOM 24958 H HH21 . ARG A 1 59 ? -12.797 11.893 13.181 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 16 -ATOM 24959 H HH22 . ARG A 1 59 ? -11.918 13.335 13.372 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 16 -ATOM 24960 N N . SER A 1 60 ? -11.801 6.427 7.842 1.00 0.00 ? ? ? ? ? ? 57 SER A N 16 -ATOM 24961 C CA . SER A 1 60 ? -13.144 6.002 7.595 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 16 -ATOM 24962 C C . SER A 1 60 ? -13.152 4.481 7.327 1.00 0.00 ? ? ? ? ? ? 57 SER A C 16 -ATOM 24963 O O . SER A 1 60 ? -12.433 4.001 6.440 1.00 0.00 ? ? ? ? ? ? 57 SER A O 16 -ATOM 24964 C CB . SER A 1 60 ? -13.665 6.775 6.387 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 16 -ATOM 24965 O OG . SER A 1 60 ? -13.361 8.168 6.533 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 16 -ATOM 24966 H H . SER A 1 60 ? -11.344 6.908 7.125 1.00 0.00 ? ? ? ? ? ? 57 SER A H 16 -ATOM 24967 H HA . SER A 1 60 ? -13.755 6.229 8.456 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 16 -ATOM 24968 H HB2 . SER A 1 60 ? -13.200 6.403 5.485 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 16 -ATOM 24969 H HB3 . SER A 1 60 ? -14.736 6.661 6.315 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 16 -ATOM 24970 H HG . SER A 1 60 ? -13.759 8.472 7.356 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 16 -ATOM 24971 N N . SER A 1 61 ? -13.945 3.743 8.120 1.00 0.00 ? ? ? ? ? ? 58 SER A N 16 -ATOM 24972 C CA . SER A 1 61 ? -14.067 2.290 8.029 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 16 -ATOM 24973 C C . SER A 1 61 ? -12.768 1.577 8.496 1.00 0.00 ? ? ? ? ? ? 58 SER A C 16 -ATOM 24974 O O . SER A 1 61 ? -11.853 2.221 9.023 1.00 0.00 ? ? ? ? ? ? 58 SER A O 16 -ATOM 24975 C CB . SER A 1 61 ? -14.496 1.885 6.613 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 16 -ATOM 24976 O OG . SER A 1 61 ? -15.724 2.528 6.264 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 16 -ATOM 24977 H H . SER A 1 61 ? -14.468 4.203 8.810 1.00 0.00 ? ? ? ? ? ? 58 SER A H 16 -ATOM 24978 H HA . SER A 1 61 ? -14.843 2.006 8.725 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 16 -ATOM 24979 H HB2 . SER A 1 61 ? -13.734 2.199 5.915 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 16 -ATOM 24980 H HB3 . SER A 1 61 ? -14.629 0.816 6.563 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 16 -ATOM 24981 H HG . SER A 1 61 ? -15.790 3.326 6.806 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 16 -ATOM 24982 N N . GLY A 1 62 ? -12.701 0.267 8.343 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 16 -ATOM 24983 C CA . GLY A 1 62 ? -11.544 -0.468 8.799 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 16 -ATOM 24984 C C . GLY A 1 62 ? -10.706 -0.988 7.659 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 16 -ATOM 24985 O O . GLY A 1 62 ? -10.237 -2.132 7.693 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 16 -ATOM 24986 H H . GLY A 1 62 ? -13.432 -0.232 7.918 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 16 -ATOM 24987 H HA2 . GLY A 1 62 ? -10.937 0.188 9.405 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 16 -ATOM 24988 H HA3 . GLY A 1 62 ? -11.871 -1.302 9.401 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 16 -ATOM 24989 N N . TYR A 1 63 ? -10.515 -0.164 6.658 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 16 -ATOM 24990 C CA . TYR A 1 63 ? -9.735 -0.542 5.496 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 16 -ATOM 24991 C C . TYR A 1 63 ? -8.279 -0.166 5.668 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 16 -ATOM 24992 O O . TYR A 1 63 ? -7.955 0.919 6.161 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 16 -ATOM 24993 C CB . TYR A 1 63 ? -10.309 0.050 4.211 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 16 -ATOM 24994 C CG . TYR A 1 63 ? -11.604 -0.600 3.765 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 16 -ATOM 24995 C CD1 . TYR A 1 63 ? -12.822 -0.214 4.296 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 16 -ATOM 24996 C CD2 . TYR A 1 63 ? -11.600 -1.602 2.802 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 16 -ATOM 24997 C CE1 . TYR A 1 63 ? -14.000 -0.803 3.885 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 16 -ATOM 24998 C CE2 . TYR A 1 63 ? -12.773 -2.195 2.385 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 16 -ATOM 24999 C CZ . TYR A 1 63 ? -13.969 -1.791 2.929 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 16 -ATOM 25000 O OH . TYR A 1 63 ? -15.138 -2.383 2.516 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 16 -ATOM 25001 H H . TYR A 1 63 ? -10.882 0.741 6.719 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 16 -ATOM 25002 H HA . TYR A 1 63 ? -9.786 -1.619 5.430 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 16 -ATOM 25003 H HB2 . TYR A 1 63 ? -10.501 1.101 4.364 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 16 -ATOM 25004 H HB3 . TYR A 1 63 ? -9.586 -0.064 3.418 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 16 -ATOM 25005 H HD1 . TYR A 1 63 ? -12.839 0.560 5.047 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 16 -ATOM 25006 H HD2 . TYR A 1 63 ? -10.659 -1.916 2.375 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 16 -ATOM 25007 H HE1 . TYR A 1 63 ? -14.940 -0.486 4.311 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 16 -ATOM 25008 H HE2 . TYR A 1 63 ? -12.748 -2.973 1.637 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 16 -ATOM 25009 H HH . TYR A 1 63 ? -15.790 -1.687 2.359 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 16 -ATOM 25010 N N . ARG A 1 64 ? -7.411 -1.073 5.283 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 16 -ATOM 25011 C CA . ARG A 1 64 ? -5.984 -0.917 5.445 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 16 -ATOM 25012 C C . ARG A 1 64 ? -5.275 -1.303 4.158 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 16 -ATOM 25013 O O . ARG A 1 64 ? -5.675 -2.255 3.476 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 16 -ATOM 25014 C CB . ARG A 1 64 ? -5.513 -1.800 6.601 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 16 -ATOM 25015 C CG . ARG A 1 64 ? -6.221 -1.474 7.902 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 16 -ATOM 25016 C CD . ARG A 1 64 ? -6.032 -2.536 8.940 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 16 -ATOM 25017 N NE . ARG A 1 64 ? -4.654 -2.629 9.454 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 16 -ATOM 25018 C CZ . ARG A 1 64 ? -4.324 -2.711 10.762 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 16 -ATOM 25019 N NH1 . ARG A 1 64 ? -5.257 -2.586 11.697 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 16 -ATOM 25020 N NH2 . ARG A 1 64 ? -3.052 -2.884 11.113 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 16 -ATOM 25021 H H . ARG A 1 64 ? -7.745 -1.888 4.844 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 16 -ATOM 25022 H HA . ARG A 1 64 ? -5.772 0.113 5.682 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 16 -ATOM 25023 H HB2 . ARG A 1 64 ? -5.706 -2.833 6.350 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 16 -ATOM 25024 H HB3 . ARG A 1 64 ? -4.452 -1.661 6.744 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 16 -ATOM 25025 H HG2 . ARG A 1 64 ? -5.826 -0.546 8.288 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 16 -ATOM 25026 H HG3 . ARG A 1 64 ? -7.276 -1.357 7.700 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 16 -ATOM 25027 H HD2 . ARG A 1 64 ? -6.732 -2.364 9.740 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 16 -ATOM 25028 H HD3 . ARG A 1 64 ? -6.284 -3.458 8.437 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 16 -ATOM 25029 H HE . ARG A 1 64 ? -3.933 -2.668 8.784 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 16 -ATOM 25030 H HH11 . ARG A 1 64 ? -6.227 -2.425 11.488 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 16 -ATOM 25031 H HH12 . ARG A 1 64 ? -5.030 -2.648 12.674 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 16 -ATOM 25032 H HH21 . ARG A 1 64 ? -2.322 -2.952 10.424 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 16 -ATOM 25033 H HH22 . ARG A 1 64 ? -2.762 -2.963 12.073 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 16 -ATOM 25034 N N . LEU A 1 65 ? -4.248 -0.574 3.839 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 16 -ATOM 25035 C CA . LEU A 1 65 ? -3.480 -0.778 2.633 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 16 -ATOM 25036 C C . LEU A 1 65 ? -2.016 -0.995 3.022 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 16 -ATOM 25037 O O . LEU A 1 65 ? -1.510 -0.321 3.928 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 16 -ATOM 25038 C CB . LEU A 1 65 ? -3.681 0.465 1.717 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 16 -ATOM 25039 C CG . LEU A 1 65 ? -3.042 0.476 0.309 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 16 -ATOM 25040 C CD1 . LEU A 1 65 ? -3.710 1.534 -0.547 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 16 -ATOM 25041 C CD2 . LEU A 1 65 ? -1.561 0.788 0.380 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 16 -ATOM 25042 H H . LEU A 1 65 ? -3.969 0.157 4.436 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 16 -ATOM 25043 H HA . LEU A 1 65 ? -3.853 -1.659 2.133 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 16 -ATOM 25044 H HB2 . LEU A 1 65 ? -4.743 0.610 1.592 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 16 -ATOM 25045 H HB3 . LEU A 1 65 ? -3.304 1.321 2.257 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 16 -ATOM 25046 H HG . LEU A 1 65 ? -3.173 -0.488 -0.160 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 16 -ATOM 25047 H HD11 . LEU A 1 65 ? -3.582 2.506 -0.096 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 16 -ATOM 25048 H HD12 . LEU A 1 65 ? -4.763 1.309 -0.631 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 16 -ATOM 25049 H HD13 . LEU A 1 65 ? -3.264 1.530 -1.531 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 16 -ATOM 25050 H HD21 . LEU A 1 65 ? -1.432 1.739 0.876 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 16 -ATOM 25051 H HD22 . LEU A 1 65 ? -1.155 0.844 -0.619 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 16 -ATOM 25052 H HD23 . LEU A 1 65 ? -1.053 0.015 0.938 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 16 -ATOM 25053 N N . VAL A 1 66 ? -1.357 -1.945 2.375 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 16 -ATOM 25054 C CA . VAL A 1 66 ? 0.041 -2.252 2.662 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 16 -ATOM 25055 C C . VAL A 1 66 ? 0.871 -2.137 1.386 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 16 -ATOM 25056 O O . VAL A 1 66 ? 0.518 -2.714 0.337 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 16 -ATOM 25057 C CB . VAL A 1 66 ? 0.210 -3.677 3.266 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 16 -ATOM 25058 C CG1 . VAL A 1 66 ? 1.671 -3.966 3.613 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 16 -ATOM 25059 C CG2 . VAL A 1 66 ? -0.659 -3.842 4.498 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 16 -ATOM 25060 H H . VAL A 1 66 ? -1.800 -2.461 1.662 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 16 -ATOM 25061 H HA . VAL A 1 66 ? 0.400 -1.523 3.374 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 16 -ATOM 25062 H HB . VAL A 1 66 ? -0.106 -4.398 2.527 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 16 -ATOM 25063 H HG11 . VAL A 1 66 ? 2.016 -3.243 4.340 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 16 -ATOM 25064 H HG12 . VAL A 1 66 ? 2.278 -3.898 2.722 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 16 -ATOM 25065 H HG13 . VAL A 1 66 ? 1.760 -4.958 4.029 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 16 -ATOM 25066 H HG21 . VAL A 1 66 ? -0.532 -4.834 4.904 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 16 -ATOM 25067 H HG22 . VAL A 1 66 ? -1.693 -3.687 4.234 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 16 -ATOM 25068 H HG23 . VAL A 1 66 ? -0.361 -3.111 5.237 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 16 -ATOM 25069 N N . TYR A 1 67 ? 1.954 -1.407 1.470 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 16 -ATOM 25070 C CA . TYR A 1 67 ? 2.825 -1.175 0.341 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 16 -ATOM 25071 C C . TYR A 1 67 ? 4.265 -1.253 0.772 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 16 -ATOM 25072 O O . TYR A 1 67 ? 4.558 -1.136 1.951 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 16 -ATOM 25073 C CB . TYR A 1 67 ? 2.545 0.193 -0.317 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 16 -ATOM 25074 C CG . TYR A 1 67 ? 2.696 1.415 0.586 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 16 -ATOM 25075 C CD1 . TYR A 1 67 ? 3.947 1.900 0.962 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 16 -ATOM 25076 C CD2 . TYR A 1 67 ? 1.587 2.087 1.036 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 16 -ATOM 25077 C CE1 . TYR A 1 67 ? 4.069 3.011 1.761 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 16 -ATOM 25078 C CE2 . TYR A 1 67 ? 1.699 3.196 1.831 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 16 -ATOM 25079 C CZ . TYR A 1 67 ? 2.942 3.657 2.193 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 16 -ATOM 25080 O OH . TYR A 1 67 ? 3.053 4.764 2.995 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 16 -ATOM 25081 H H . TYR A 1 67 ? 2.208 -1.020 2.341 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 16 -ATOM 25082 H HA . TYR A 1 67 ? 2.638 -1.953 -0.384 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 16 -ATOM 25083 H HB2 . TYR A 1 67 ? 3.219 0.324 -1.150 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 16 -ATOM 25084 H HB3 . TYR A 1 67 ? 1.533 0.186 -0.693 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 16 -ATOM 25085 H HD1 . TYR A 1 67 ? 4.833 1.386 0.617 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 16 -ATOM 25086 H HD2 . TYR A 1 67 ? 0.612 1.724 0.752 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 16 -ATOM 25087 H HE1 . TYR A 1 67 ? 5.049 3.371 2.041 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 16 -ATOM 25088 H HE2 . TYR A 1 67 ? 0.804 3.700 2.159 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 16 -ATOM 25089 H HH . TYR A 1 67 ? 2.430 4.681 3.722 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 16 -ATOM 25090 N N . GLN A 1 68 ? 5.147 -1.479 -0.150 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 16 -ATOM 25091 C CA . GLN A 1 68 ? 6.548 -1.448 0.157 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 16 -ATOM 25092 C C . GLN A 1 68 ? 7.215 -0.385 -0.673 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 16 -ATOM 25093 O O . GLN A 1 68 ? 6.889 -0.212 -1.861 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 16 -ATOM 25094 C CB . GLN A 1 68 ? 7.226 -2.812 -0.021 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 16 -ATOM 25095 C CG . GLN A 1 68 ? 7.236 -3.364 -1.444 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 16 -ATOM 25096 C CD . GLN A 1 68 ? 7.979 -4.691 -1.562 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 16 -ATOM 25097 O OE1 . GLN A 1 68 ? 7.651 -5.524 -2.404 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 16 -ATOM 25098 N NE2 . GLN A 1 68 ? 8.993 -4.896 -0.735 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 16 -ATOM 25099 H H . GLN A 1 68 ? 4.854 -1.644 -1.075 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 16 -ATOM 25100 H HA . GLN A 1 68 ? 6.634 -1.138 1.187 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 16 -ATOM 25101 H HB2 . GLN A 1 68 ? 8.248 -2.733 0.314 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 16 -ATOM 25102 H HB3 . GLN A 1 68 ? 6.708 -3.518 0.610 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 16 -ATOM 25103 H HG2 . GLN A 1 68 ? 6.217 -3.516 -1.768 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 16 -ATOM 25104 H HG3 . GLN A 1 68 ? 7.711 -2.645 -2.095 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 16 -ATOM 25105 H HE21 . GLN A 1 68 ? 9.240 -4.208 -0.082 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 16 -ATOM 25106 H HE22 . GLN A 1 68 ? 9.460 -5.757 -0.809 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 16 -ATOM 25107 N N . VAL A 1 69 ? 8.101 0.355 -0.071 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 16 -ATOM 25108 C CA . VAL A 1 69 ? 8.780 1.382 -0.793 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 16 -ATOM 25109 C C . VAL A 1 69 ? 10.103 0.840 -1.279 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 16 -ATOM 25110 O O . VAL A 1 69 ? 10.919 0.319 -0.505 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 16 -ATOM 25111 C CB . VAL A 1 69 ? 8.964 2.724 0.018 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 16 -ATOM 25112 C CG1 . VAL A 1 69 ? 7.647 3.200 0.600 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 16 -ATOM 25113 C CG2 . VAL A 1 69 ? 10.022 2.630 1.103 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 16 -ATOM 25114 H H . VAL A 1 69 ? 8.329 0.176 0.870 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 16 -ATOM 25115 H HA . VAL A 1 69 ? 8.180 1.580 -1.669 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 16 -ATOM 25116 H HB . VAL A 1 69 ? 9.269 3.474 -0.698 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 16 -ATOM 25117 H HG11 . VAL A 1 69 ? 6.932 3.380 -0.187 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 16 -ATOM 25118 H HG12 . VAL A 1 69 ? 7.812 4.112 1.155 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 16 -ATOM 25119 H HG13 . VAL A 1 69 ? 7.262 2.445 1.269 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 16 -ATOM 25120 H HG21 . VAL A 1 69 ? 10.994 2.507 0.650 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 16 -ATOM 25121 H HG22 . VAL A 1 69 ? 9.813 1.750 1.689 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 16 -ATOM 25122 H HG23 . VAL A 1 69 ? 10.006 3.512 1.725 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 16 -ATOM 25123 N N . ILE A 1 70 ? 10.290 0.863 -2.547 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 16 -ATOM 25124 C CA . ILE A 1 70 ? 11.510 0.415 -3.094 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 16 -ATOM 25125 C C . ILE A 1 70 ? 12.338 1.640 -3.375 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 16 -ATOM 25126 O O . ILE A 1 70 ? 12.173 2.282 -4.408 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 16 -ATOM 25127 C CB . ILE A 1 70 ? 11.307 -0.385 -4.401 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 16 -ATOM 25128 C CG1 . ILE A 1 70 ? 10.215 -1.444 -4.219 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 16 -ATOM 25129 C CG2 . ILE A 1 70 ? 12.619 -1.056 -4.791 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 16 -ATOM 25130 C CD1 . ILE A 1 70 ? 9.857 -2.173 -5.492 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 16 -ATOM 25131 H H . ILE A 1 70 ? 9.593 1.203 -3.154 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 16 -ATOM 25132 H HA . ILE A 1 70 ? 12.008 -0.205 -2.362 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 16 -ATOM 25133 H HB . ILE A 1 70 ? 11.016 0.300 -5.183 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 16 -ATOM 25134 H HG12 . ILE A 1 70 ? 10.555 -2.177 -3.503 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 16 -ATOM 25135 H HG13 . ILE A 1 70 ? 9.321 -0.966 -3.845 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 16 -ATOM 25136 H HG21 . ILE A 1 70 ? 12.480 -1.619 -5.702 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 16 -ATOM 25137 H HG22 . ILE A 1 70 ? 12.932 -1.722 -4.002 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 16 -ATOM 25138 H HG23 . ILE A 1 70 ? 13.370 -0.298 -4.946 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 16 -ATOM 25139 H HD11 . ILE A 1 70 ? 10.732 -2.680 -5.868 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 16 -ATOM 25140 H HD12 . ILE A 1 70 ? 9.526 -1.450 -6.226 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 16 -ATOM 25141 H HD13 . ILE A 1 70 ? 9.072 -2.888 -5.300 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 16 -ATOM 25142 N N . ASP A 1 71 ? 13.198 1.979 -2.446 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 16 -ATOM 25143 C CA . ASP A 1 71 ? 14.049 3.171 -2.543 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 16 -ATOM 25144 C C . ASP A 1 71 ? 15.057 2.969 -3.653 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 16 -ATOM 25145 O O . ASP A 1 71 ? 15.461 3.906 -4.335 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 16 -ATOM 25146 C CB . ASP A 1 71 ? 14.756 3.418 -1.205 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 16 -ATOM 25147 C CG . ASP A 1 71 ? 15.489 4.743 -1.140 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 16 -ATOM 25148 O OD1 . ASP A 1 71 ? 16.684 4.806 -1.488 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 16 -ATOM 25149 O OD2 . ASP A 1 71 ? 14.892 5.739 -0.688 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 16 -ATOM 25150 H H . ASP A 1 71 ? 13.259 1.411 -1.647 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 16 -ATOM 25151 H HA . ASP A 1 71 ? 13.429 4.020 -2.790 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 16 -ATOM 25152 H HB2 . ASP A 1 71 ? 14.024 3.405 -0.411 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 16 -ATOM 25153 H HB3 . ASP A 1 71 ? 15.470 2.624 -1.039 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 16 -ATOM 25154 N N . GLU A 1 72 ? 15.382 1.701 -3.868 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 16 -ATOM 25155 C CA . GLU A 1 72 ? 16.294 1.253 -4.917 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 16 -ATOM 25156 C C . GLU A 1 72 ? 15.775 1.701 -6.288 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 16 -ATOM 25157 O O . GLU A 1 72 ? 16.535 2.089 -7.166 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 16 -ATOM 25158 C CB . GLU A 1 72 ? 16.337 -0.276 -4.920 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 16 -ATOM 25159 C CG . GLU A 1 72 ? 16.579 -0.914 -3.563 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 16 -ATOM 25160 C CD . GLU A 1 72 ? 16.468 -2.410 -3.623 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 16 -ATOM 25161 O OE1 . GLU A 1 72 ? 15.336 -2.927 -3.715 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 16 -ATOM 25162 O OE2 . GLU A 1 72 ? 17.495 -3.101 -3.605 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 16 -ATOM 25163 H H . GLU A 1 72 ? 14.994 1.037 -3.261 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 16 -ATOM 25164 H HA . GLU A 1 72 ? 17.286 1.635 -4.734 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 16 -ATOM 25165 H HB2 . GLU A 1 72 ? 15.397 -0.646 -5.299 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 16 -ATOM 25166 H HB3 . GLU A 1 72 ? 17.123 -0.595 -5.588 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 16 -ATOM 25167 H HG2 . GLU A 1 72 ? 17.573 -0.663 -3.226 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 16 -ATOM 25168 H HG3 . GLU A 1 72 ? 15.852 -0.541 -2.858 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 16 -ATOM 25169 N N . LYS A 1 73 ? 14.466 1.635 -6.452 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 16 -ATOM 25170 C CA . LYS A 1 73 ? 13.831 1.957 -7.713 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 16 -ATOM 25171 C C . LYS A 1 73 ? 13.078 3.292 -7.642 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 16 -ATOM 25172 O O . LYS A 1 73 ? 12.543 3.763 -8.647 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 16 -ATOM 25173 C CB . LYS A 1 73 ? 12.871 0.839 -8.108 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 16 -ATOM 25174 C CG . LYS A 1 73 ? 13.516 -0.519 -8.323 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 16 -ATOM 25175 C CD . LYS A 1 73 ? 12.456 -1.570 -8.618 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 16 -ATOM 25176 C CE . LYS A 1 73 ? 13.055 -2.954 -8.774 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 16 -ATOM 25177 N NZ . LYS A 1 73 ? 12.017 -3.974 -9.034 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 16 -ATOM 25178 H H . LYS A 1 73 ? 13.908 1.371 -5.691 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 16 -ATOM 25179 H HA . LYS A 1 73 ? 14.602 2.021 -8.464 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 16 -ATOM 25180 H HB2 . LYS A 1 73 ? 12.164 0.718 -7.300 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 16 -ATOM 25181 H HB3 . LYS A 1 73 ? 12.347 1.120 -9.009 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 16 -ATOM 25182 H HG2 . LYS A 1 73 ? 14.199 -0.456 -9.157 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 16 -ATOM 25183 H HG3 . LYS A 1 73 ? 14.055 -0.797 -7.429 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 16 -ATOM 25184 H HD2 . LYS A 1 73 ? 11.737 -1.590 -7.813 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 16 -ATOM 25185 H HD3 . LYS A 1 73 ? 11.955 -1.299 -9.536 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 16 -ATOM 25186 H HE2 . LYS A 1 73 ? 13.756 -2.943 -9.594 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 16 -ATOM 25187 H HE3 . LYS A 1 73 ? 13.576 -3.207 -7.863 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 16 -ATOM 25188 H HZ1 . LYS A 1 73 ? 11.458 -3.730 -9.875 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 16 -ATOM 25189 H HZ2 . LYS A 1 73 ? 11.377 -4.097 -8.226 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 16 -ATOM 25190 H HZ3 . LYS A 1 73 ? 12.454 -4.900 -9.214 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 16 -ATOM 25191 N N . VAL A 1 74 ? 13.048 3.890 -6.446 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 16 -ATOM 25192 C CA . VAL A 1 74 ? 12.336 5.161 -6.167 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 16 -ATOM 25193 C C . VAL A 1 74 ? 10.798 4.978 -6.422 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 16 -ATOM 25194 O O . VAL A 1 74 ? 10.066 5.914 -6.708 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 16 -ATOM 25195 C CB . VAL A 1 74 ? 12.936 6.368 -7.011 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 16 -ATOM 25196 C CG1 . VAL A 1 74 ? 12.369 7.725 -6.571 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 16 -ATOM 25197 C CG2 . VAL A 1 74 ? 14.458 6.398 -6.914 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 16 -ATOM 25198 H H . VAL A 1 74 ? 13.526 3.468 -5.701 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 16 -ATOM 25199 H HA . VAL A 1 74 ? 12.466 5.356 -5.111 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 16 -ATOM 25200 H HB . VAL A 1 74 ? 12.667 6.214 -8.046 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 16 -ATOM 25201 H HG11 . VAL A 1 74 ? 11.299 7.729 -6.710 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 16 -ATOM 25202 H HG12 . VAL A 1 74 ? 12.811 8.516 -7.159 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 16 -ATOM 25203 H HG13 . VAL A 1 74 ? 12.593 7.891 -5.527 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 16 -ATOM 25204 H HG21 . VAL A 1 74 ? 14.845 7.219 -7.498 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 16 -ATOM 25205 H HG22 . VAL A 1 74 ? 14.863 5.467 -7.286 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 16 -ATOM 25206 H HG23 . VAL A 1 74 ? 14.749 6.523 -5.881 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 16 -ATOM 25207 N N . VAL A 1 75 ? 10.311 3.770 -6.231 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 16 -ATOM 25208 C CA . VAL A 1 75 ? 8.908 3.477 -6.480 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 16 -ATOM 25209 C C . VAL A 1 75 ? 8.284 2.727 -5.307 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 16 -ATOM 25210 O O . VAL A 1 75 ? 8.922 1.897 -4.670 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 16 -ATOM 25211 C CB . VAL A 1 75 ? 8.699 2.695 -7.828 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 16 -ATOM 25212 C CG1 . VAL A 1 75 ? 9.465 1.398 -7.841 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 16 -ATOM 25213 C CG2 . VAL A 1 75 ? 7.220 2.445 -8.126 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 16 -ATOM 25214 H H . VAL A 1 75 ? 10.890 3.063 -5.872 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 16 -ATOM 25215 H HA . VAL A 1 75 ? 8.407 4.431 -6.559 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 16 -ATOM 25216 H HB . VAL A 1 75 ? 9.106 3.302 -8.623 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 16 -ATOM 25217 H HG11 . VAL A 1 75 ? 9.121 0.766 -7.035 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 16 -ATOM 25218 H HG12 . VAL A 1 75 ? 10.511 1.627 -7.707 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 16 -ATOM 25219 H HG13 . VAL A 1 75 ? 9.324 0.901 -8.789 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 16 -ATOM 25220 H HG21 . VAL A 1 75 ? 7.124 1.905 -9.056 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 16 -ATOM 25221 H HG22 . VAL A 1 75 ? 6.690 3.384 -8.195 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 16 -ATOM 25222 H HG23 . VAL A 1 75 ? 6.791 1.855 -7.329 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 16 -ATOM 25223 N N . VAL A 1 76 ? 7.072 3.068 -5.012 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 16 -ATOM 25224 C CA . VAL A 1 76 ? 6.300 2.466 -3.970 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 16 -ATOM 25225 C C . VAL A 1 76 ? 5.305 1.493 -4.601 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 16 -ATOM 25226 O O . VAL A 1 76 ? 4.496 1.890 -5.437 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 16 -ATOM 25227 C CB . VAL A 1 76 ? 5.518 3.559 -3.196 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 16 -ATOM 25228 C CG1 . VAL A 1 76 ? 4.681 2.965 -2.094 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 16 -ATOM 25229 C CG2 . VAL A 1 76 ? 6.457 4.624 -2.648 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 16 -ATOM 25230 H H . VAL A 1 76 ? 6.636 3.780 -5.529 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 16 -ATOM 25231 H HA . VAL A 1 76 ? 6.955 1.948 -3.288 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 16 -ATOM 25232 H HB . VAL A 1 76 ? 4.852 4.034 -3.900 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 16 -ATOM 25233 H HG11 . VAL A 1 76 ? 5.317 2.440 -1.398 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 16 -ATOM 25234 H HG12 . VAL A 1 76 ? 3.966 2.276 -2.520 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 16 -ATOM 25235 H HG13 . VAL A 1 76 ? 4.152 3.753 -1.577 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 16 -ATOM 25236 H HG21 . VAL A 1 76 ? 5.894 5.346 -2.075 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 16 -ATOM 25237 H HG22 . VAL A 1 76 ? 6.937 5.126 -3.476 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 16 -ATOM 25238 H HG23 . VAL A 1 76 ? 7.212 4.167 -2.026 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 16 -ATOM 25239 N N . PHE A 1 77 ? 5.379 0.245 -4.226 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 16 -ATOM 25240 C CA . PHE A 1 77 ? 4.477 -0.763 -4.748 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 16 -ATOM 25241 C C . PHE A 1 77 ? 3.477 -1.196 -3.721 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 16 -ATOM 25242 O O . PHE A 1 77 ? 3.851 -1.678 -2.646 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 16 -ATOM 25243 C CB . PHE A 1 77 ? 5.220 -1.993 -5.271 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 16 -ATOM 25244 C CG . PHE A 1 77 ? 5.633 -1.910 -6.705 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 16 -ATOM 25245 C CD1 . PHE A 1 77 ? 6.823 -1.327 -7.073 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 16 -ATOM 25246 C CD2 . PHE A 1 77 ? 4.815 -2.437 -7.690 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 16 -ATOM 25247 C CE1 . PHE A 1 77 ? 7.196 -1.269 -8.400 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 16 -ATOM 25248 C CE2 . PHE A 1 77 ? 5.183 -2.382 -9.014 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 16 -ATOM 25249 C CZ . PHE A 1 77 ? 6.375 -1.797 -9.370 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 16 -ATOM 25250 H H . PHE A 1 77 ? 6.042 -0.011 -3.544 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 16 -ATOM 25251 H HA . PHE A 1 77 ? 3.945 -0.317 -5.576 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 16 -ATOM 25252 H HB2 . PHE A 1 77 ? 6.115 -2.138 -4.683 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 16 -ATOM 25253 H HB3 . PHE A 1 77 ? 4.583 -2.856 -5.154 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 16 -ATOM 25254 H HD1 . PHE A 1 77 ? 7.466 -0.913 -6.310 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 16 -ATOM 25255 H HD2 . PHE A 1 77 ? 3.879 -2.896 -7.411 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 16 -ATOM 25256 H HE1 . PHE A 1 77 ? 8.132 -0.810 -8.678 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 16 -ATOM 25257 H HE2 . PHE A 1 77 ? 4.535 -2.797 -9.772 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 16 -ATOM 25258 H HZ . PHE A 1 77 ? 6.666 -1.751 -10.409 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 16 -ATOM 25259 N N . VAL A 1 78 ? 2.218 -1.012 -4.035 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 16 -ATOM 25260 C CA . VAL A 1 78 ? 1.146 -1.491 -3.194 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 16 -ATOM 25261 C C . VAL A 1 78 ? 1.046 -3.001 -3.372 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 16 -ATOM 25262 O O . VAL A 1 78 ? 0.914 -3.492 -4.505 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 16 -ATOM 25263 C CB . VAL A 1 78 ? -0.208 -0.810 -3.535 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 16 -ATOM 25264 C CG1 . VAL A 1 78 ? -1.336 -1.344 -2.654 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 16 -ATOM 25265 C CG2 . VAL A 1 78 ? -0.093 0.701 -3.394 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 16 -ATOM 25266 H H . VAL A 1 78 ? 2.005 -0.532 -4.867 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 16 -ATOM 25267 H HA . VAL A 1 78 ? 1.415 -1.283 -2.168 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 16 -ATOM 25268 H HB . VAL A 1 78 ? -0.451 -1.038 -4.562 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 16 -ATOM 25269 H HG11 . VAL A 1 78 ? -1.099 -1.160 -1.617 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 16 -ATOM 25270 H HG12 . VAL A 1 78 ? -1.448 -2.406 -2.814 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 16 -ATOM 25271 H HG13 . VAL A 1 78 ? -2.260 -0.845 -2.904 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 16 -ATOM 25272 H HG21 . VAL A 1 78 ? -1.041 1.161 -3.629 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 16 -ATOM 25273 H HG22 . VAL A 1 78 ? 0.663 1.069 -4.073 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 16 -ATOM 25274 H HG23 . VAL A 1 78 ? 0.187 0.949 -2.381 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 16 -ATOM 25275 N N . ILE A 1 79 ? 1.139 -3.722 -2.275 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 16 -ATOM 25276 C CA . ILE A 1 79 ? 1.174 -5.169 -2.318 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 16 -ATOM 25277 C C . ILE A 1 79 ? -0.224 -5.750 -2.148 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 16 -ATOM 25278 O O . ILE A 1 79 ? -0.611 -6.682 -2.858 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 16 -ATOM 25279 C CB . ILE A 1 79 ? 2.089 -5.736 -1.193 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 16 -ATOM 25280 C CG1 . ILE A 1 79 ? 3.492 -5.111 -1.259 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 16 -ATOM 25281 C CG2 . ILE A 1 79 ? 2.183 -7.255 -1.298 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 16 -ATOM 25282 C CD1 . ILE A 1 79 ? 4.413 -5.556 -0.132 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 16 -ATOM 25283 H H . ILE A 1 79 ? 1.167 -3.270 -1.403 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 16 -ATOM 25284 H HA . ILE A 1 79 ? 1.580 -5.475 -3.270 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 16 -ATOM 25285 H HB . ILE A 1 79 ? 1.641 -5.492 -0.239 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 16 -ATOM 25286 H HG12 . ILE A 1 79 ? 3.958 -5.389 -2.192 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 16 -ATOM 25287 H HG13 . ILE A 1 79 ? 3.402 -4.036 -1.212 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 16 -ATOM 25288 H HG21 . ILE A 1 79 ? 2.534 -7.519 -2.283 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 16 -ATOM 25289 H HG22 . ILE A 1 79 ? 1.213 -7.696 -1.123 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 16 -ATOM 25290 H HG23 . ILE A 1 79 ? 2.888 -7.615 -0.563 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 16 -ATOM 25291 H HD11 . ILE A 1 79 ? 5.377 -5.085 -0.252 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 16 -ATOM 25292 H HD12 . ILE A 1 79 ? 4.528 -6.629 -0.161 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 16 -ATOM 25293 H HD13 . ILE A 1 79 ? 3.986 -5.263 0.817 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 16 -ATOM 25294 N N . SER A 1 80 ? -0.977 -5.185 -1.230 1.00 0.00 ? ? ? ? ? ? 77 SER A N 16 -ATOM 25295 C CA . SER A 1 80 ? -2.294 -5.668 -0.931 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 16 -ATOM 25296 C C . SER A 1 80 ? -3.095 -4.521 -0.338 1.00 0.00 ? ? ? ? ? ? 77 SER A C 16 -ATOM 25297 O O . SER A 1 80 ? -2.516 -3.600 0.279 1.00 0.00 ? ? ? ? ? ? 77 SER A O 16 -ATOM 25298 C CB . SER A 1 80 ? -2.203 -6.853 0.063 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 16 -ATOM 25299 O OG . SER A 1 80 ? -3.466 -7.469 0.286 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 16 -ATOM 25300 H H . SER A 1 80 ? -0.666 -4.403 -0.723 1.00 0.00 ? ? ? ? ? ? 77 SER A H 16 -ATOM 25301 H HA . SER A 1 80 ? -2.760 -6.002 -1.847 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 16 -ATOM 25302 H HB2 . SER A 1 80 ? -1.529 -7.597 -0.336 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 16 -ATOM 25303 H HB3 . SER A 1 80 ? -1.818 -6.494 1.006 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 16 -ATOM 25304 H HG . SER A 1 80 ? -3.993 -7.345 -0.528 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 16 -ATOM 25305 N N . VAL A 1 81 ? -4.387 -4.548 -0.540 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 16 -ATOM 25306 C CA . VAL A 1 81 ? -5.254 -3.512 -0.059 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 16 -ATOM 25307 C C . VAL A 1 81 ? -6.639 -4.078 0.266 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 16 -ATOM 25308 O O . VAL A 1 81 ? -7.203 -4.868 -0.497 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 16 -ATOM 25309 C CB . VAL A 1 81 ? -5.343 -2.322 -1.081 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 16 -ATOM 25310 C CG1 . VAL A 1 81 ? -5.782 -2.780 -2.461 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 16 -ATOM 25311 C CG2 . VAL A 1 81 ? -6.255 -1.221 -0.575 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 16 -ATOM 25312 H H . VAL A 1 81 ? -4.793 -5.316 -1.014 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 16 -ATOM 25313 H HA . VAL A 1 81 ? -4.822 -3.144 0.859 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 16 -ATOM 25314 H HB . VAL A 1 81 ? -4.348 -1.913 -1.185 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 16 -ATOM 25315 H HG11 . VAL A 1 81 ? -5.078 -3.506 -2.840 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 16 -ATOM 25316 H HG12 . VAL A 1 81 ? -5.822 -1.935 -3.130 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 16 -ATOM 25317 H HG13 . VAL A 1 81 ? -6.761 -3.232 -2.394 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 16 -ATOM 25318 H HG21 . VAL A 1 81 ? -6.284 -0.420 -1.300 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 16 -ATOM 25319 H HG22 . VAL A 1 81 ? -5.873 -0.844 0.362 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 16 -ATOM 25320 H HG23 . VAL A 1 81 ? -7.250 -1.614 -0.428 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 16 -ATOM 25321 N N . GLY A 1 82 ? -7.158 -3.729 1.413 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 16 -ATOM 25322 C CA . GLY A 1 82 ? -8.464 -4.162 1.755 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 16 -ATOM 25323 C C . GLY A 1 82 ? -8.685 -4.033 3.206 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 16 -ATOM 25324 O O . GLY A 1 82 ? -8.711 -2.931 3.738 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 16 -ATOM 25325 H H . GLY A 1 82 ? -6.657 -3.195 2.074 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 16 -ATOM 25326 H HA2 . GLY A 1 82 ? -9.188 -3.557 1.228 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 16 -ATOM 25327 H HA3 . GLY A 1 82 ? -8.586 -5.195 1.469 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 16 -ATOM 25328 N N . LYS A 1 83 ? -8.796 -5.127 3.870 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 16 -ATOM 25329 C CA . LYS A 1 83 ? -9.026 -5.114 5.282 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 16 -ATOM 25330 C C . LYS A 1 83 ? -8.090 -6.072 5.946 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 16 -ATOM 25331 O O . LYS A 1 83 ? -7.579 -7.006 5.311 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 16 -ATOM 25332 C CB . LYS A 1 83 ? -10.455 -5.531 5.608 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 16 -ATOM 25333 C CG . LYS A 1 83 ? -11.551 -4.627 5.060 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 16 -ATOM 25334 C CD . LYS A 1 83 ? -12.923 -5.159 5.437 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 16 -ATOM 25335 C CE . LYS A 1 83 ? -13.220 -6.494 4.764 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 16 -ATOM 25336 N NZ . LYS A 1 83 ? -14.430 -7.121 5.309 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 16 -ATOM 25337 H H . LYS A 1 83 ? -8.699 -5.991 3.407 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 16 -ATOM 25338 H HA . LYS A 1 83 ? -8.859 -4.116 5.659 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 16 -ATOM 25339 H HB2 . LYS A 1 83 ? -10.602 -6.523 5.213 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 16 -ATOM 25340 H HB3 . LYS A 1 83 ? -10.555 -5.574 6.683 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 16 -ATOM 25341 H HG2 . LYS A 1 83 ? -11.430 -3.636 5.475 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 16 -ATOM 25342 H HG3 . LYS A 1 83 ? -11.468 -4.584 3.984 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 16 -ATOM 25343 H HD2 . LYS A 1 83 ? -12.954 -5.303 6.506 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 16 -ATOM 25344 H HD3 . LYS A 1 83 ? -13.675 -4.440 5.147 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 16 -ATOM 25345 H HE2 . LYS A 1 83 ? -13.360 -6.332 3.706 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 16 -ATOM 25346 H HE3 . LYS A 1 83 ? -12.391 -7.170 4.907 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 16 -ATOM 25347 H HZ1 . LYS A 1 83 ? -15.241 -6.472 5.264 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 16 -ATOM 25348 H HZ2 . LYS A 1 83 ? -14.238 -7.421 6.292 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 16 -ATOM 25349 H HZ3 . LYS A 1 83 ? -14.657 -7.973 4.758 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 16 -ATOM 25350 N N . ALA A 1 84 ? -7.861 -5.869 7.199 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 16 -ATOM 25351 C CA . ALA A 1 84 ? -7.077 -6.778 7.935 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 16 -ATOM 25352 C C . ALA A 1 84 ? -8.001 -7.826 8.503 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 16 -ATOM 25353 O O . ALA A 1 84 ? -8.093 -8.913 7.938 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 16 -ATOM 25354 C CB . ALA A 1 84 ? -6.269 -6.074 9.015 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 16 -ATOM 25355 H H . ALA A 1 84 ? -8.263 -5.098 7.657 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 16 -ATOM 25356 H HA . ALA A 1 84 ? -6.403 -7.260 7.243 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 16 -ATOM 25357 H HB1 . ALA A 1 84 ? -5.680 -6.797 9.558 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 16 -ATOM 25358 H HB2 . ALA A 1 84 ? -6.932 -5.559 9.694 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 16 -ATOM 25359 H HB3 . ALA A 1 84 ? -5.610 -5.360 8.546 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 16 -ATOM 25360 N N . GLU A 1 85 ? -8.703 -7.459 9.598 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 16 -ATOM 25361 C CA . GLU A 1 85 ? -9.711 -8.258 10.369 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 16 -ATOM 25362 C C . GLU A 1 85 ? -9.157 -9.577 10.925 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 16 -ATOM 25363 O O . GLU A 1 85 ? -9.383 -9.939 12.078 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 16 -ATOM 25364 C CB . GLU A 1 85 ? -11.025 -8.459 9.581 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 16 -ATOM 25365 C CG . GLU A 1 85 ? -11.628 -7.142 9.102 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 16 -ATOM 25366 C CD . GLU A 1 85 ? -13.062 -7.234 8.625 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 16 -ATOM 25367 O OE1 . GLU A 1 85 ? -13.347 -7.921 7.632 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 16 -ATOM 25368 O OE2 . GLU A 1 85 ? -13.941 -6.592 9.244 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 16 -ATOM 25369 H H . GLU A 1 85 ? -8.541 -6.559 9.938 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 16 -ATOM 25370 H HA . GLU A 1 85 ? -9.928 -7.654 11.239 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 16 -ATOM 25371 H HB2 . GLU A 1 85 ? -10.825 -9.082 8.721 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 16 -ATOM 25372 H HB3 . GLU A 1 85 ? -11.745 -8.953 10.217 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 16 -ATOM 25373 H HG2 . GLU A 1 85 ? -11.600 -6.447 9.926 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 16 -ATOM 25374 H HG3 . GLU A 1 85 ? -11.015 -6.759 8.300 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 16 -ATOM 25375 N N . ALA A 1 86 ? -8.455 -10.253 10.097 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 16 -ATOM 25376 C CA . ALA A 1 86 ? -7.789 -11.471 10.376 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 16 -ATOM 25377 C C . ALA A 1 86 ? -6.337 -11.299 9.947 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 16 -ATOM 25378 O O . ALA A 1 86 ? -5.608 -12.265 9.762 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 16 -ATOM 25379 C CB . ALA A 1 86 ? -8.448 -12.536 9.552 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 16 -ATOM 25380 H H . ALA A 1 86 ? -8.388 -9.899 9.181 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 16 -ATOM 25381 H HA . ALA A 1 86 ? -7.869 -11.719 11.424 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 16 -ATOM 25382 H HB1 . ALA A 1 86 ? -7.921 -13.472 9.648 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 16 -ATOM 25383 H HB2 . ALA A 1 86 ? -8.435 -12.185 8.530 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 16 -ATOM 25384 H HB3 . ALA A 1 86 ? -9.473 -12.630 9.879 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 16 -ATOM 25385 N N . SER A 1 87 ? -5.948 -10.027 9.798 1.00 0.00 ? ? ? ? ? ? 84 SER A N 16 -ATOM 25386 C CA . SER A 1 87 ? -4.620 -9.617 9.344 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 16 -ATOM 25387 C C . SER A 1 87 ? -4.332 -10.129 7.916 1.00 0.00 ? ? ? ? ? ? 84 SER A C 16 -ATOM 25388 O O . SER A 1 87 ? -3.176 -10.288 7.518 1.00 0.00 ? ? ? ? ? ? 84 SER A O 16 -ATOM 25389 C CB . SER A 1 87 ? -3.566 -10.077 10.361 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 16 -ATOM 25390 O OG . SER A 1 87 ? -3.877 -9.556 11.658 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 16 -ATOM 25391 H H . SER A 1 87 ? -6.589 -9.336 10.064 1.00 0.00 ? ? ? ? ? ? 84 SER A H 16 -ATOM 25392 H HA . SER A 1 87 ? -4.620 -8.538 9.305 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 16 -ATOM 25393 H HB2 . SER A 1 87 ? -3.553 -11.155 10.401 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 16 -ATOM 25394 H HB3 . SER A 1 87 ? -2.597 -9.709 10.061 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 16 -ATOM 25395 H HG . SER A 1 87 ? -3.276 -9.987 12.279 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 16 -ATOM 25396 N N . GLU A 1 88 ? -5.402 -10.235 7.118 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 16 -ATOM 25397 C CA . GLU A 1 88 ? -5.347 -10.797 5.768 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 16 -ATOM 25398 C C . GLU A 1 88 ? -4.369 -10.060 4.852 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 16 -ATOM 25399 O O . GLU A 1 88 ? -3.504 -10.685 4.262 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 16 -ATOM 25400 C CB . GLU A 1 88 ? -6.744 -10.832 5.161 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 16 -ATOM 25401 C CG . GLU A 1 88 ? -6.794 -11.317 3.725 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 16 -ATOM 25402 C CD . GLU A 1 88 ? -8.194 -11.425 3.207 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 16 -ATOM 25403 O OE1 . GLU A 1 88 ? -8.812 -10.390 2.898 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 16 -ATOM 25404 O OE2 . GLU A 1 88 ? -8.721 -12.561 3.111 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 16 -ATOM 25405 H H . GLU A 1 88 ? -6.273 -9.936 7.458 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 16 -ATOM 25406 H HA . GLU A 1 88 ? -4.998 -11.815 5.861 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 16 -ATOM 25407 H HB2 . GLU A 1 88 ? -7.366 -11.481 5.759 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 16 -ATOM 25408 H HB3 . GLU A 1 88 ? -7.149 -9.830 5.194 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 16 -ATOM 25409 H HG2 . GLU A 1 88 ? -6.253 -10.616 3.106 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 16 -ATOM 25410 H HG3 . GLU A 1 88 ? -6.320 -12.284 3.665 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 16 -ATOM 25411 N N . VAL A 1 89 ? -4.476 -8.737 4.768 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 16 -ATOM 25412 C CA . VAL A 1 89 ? -3.569 -7.948 3.907 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 16 -ATOM 25413 C C . VAL A 1 89 ? -2.083 -8.119 4.281 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 16 -ATOM 25414 O O . VAL A 1 89 ? -1.201 -7.977 3.441 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 16 -ATOM 25415 C CB . VAL A 1 89 ? -3.939 -6.435 3.854 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 16 -ATOM 25416 C CG1 . VAL A 1 89 ? -5.264 -6.235 3.149 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 16 -ATOM 25417 C CG2 . VAL A 1 89 ? -3.997 -5.825 5.250 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 16 -ATOM 25418 H H . VAL A 1 89 ? -5.196 -8.287 5.255 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 16 -ATOM 25419 H HA . VAL A 1 89 ? -3.686 -8.357 2.912 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 16 -ATOM 25420 H HB . VAL A 1 89 ? -3.177 -5.922 3.287 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 16 -ATOM 25421 H HG11 . VAL A 1 89 ? -5.190 -6.591 2.131 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 16 -ATOM 25422 H HG12 . VAL A 1 89 ? -5.514 -5.185 3.144 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 16 -ATOM 25423 H HG13 . VAL A 1 89 ? -6.033 -6.787 3.668 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 16 -ATOM 25424 H HG21 . VAL A 1 89 ? -4.260 -4.780 5.176 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 16 -ATOM 25425 H HG22 . VAL A 1 89 ? -3.031 -5.922 5.725 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 16 -ATOM 25426 H HG23 . VAL A 1 89 ? -4.740 -6.343 5.838 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 16 -ATOM 25427 N N . TYR A 1 90 ? -1.817 -8.475 5.524 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 16 -ATOM 25428 C CA . TYR A 1 90 ? -0.450 -8.650 5.975 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 16 -ATOM 25429 C C . TYR A 1 90 ? 0.026 -10.044 5.633 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 16 -ATOM 25430 O O . TYR A 1 90 ? 1.217 -10.266 5.391 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 16 -ATOM 25431 C CB . TYR A 1 90 ? -0.317 -8.342 7.470 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 16 -ATOM 25432 C CG . TYR A 1 90 ? -0.747 -6.933 7.798 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 16 -ATOM 25433 C CD1 . TYR A 1 90 ? 0.117 -5.871 7.612 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 16 -ATOM 25434 C CD2 . TYR A 1 90 ? -2.032 -6.662 8.249 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 16 -ATOM 25435 C CE1 . TYR A 1 90 ? -0.285 -4.580 7.856 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 16 -ATOM 25436 C CE2 . TYR A 1 90 ? -2.435 -5.369 8.505 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 16 -ATOM 25437 C CZ . TYR A 1 90 ? -1.556 -4.334 8.302 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 16 -ATOM 25438 O OH . TYR A 1 90 ? -1.965 -3.031 8.512 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 16 -ATOM 25439 H H . TYR A 1 90 ? -2.556 -8.658 6.141 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 16 -ATOM 25440 H HA . TYR A 1 90 ? 0.151 -7.950 5.412 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 16 -ATOM 25441 H HB2 . TYR A 1 90 ? -0.934 -9.026 8.028 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 16 -ATOM 25442 H HB3 . TYR A 1 90 ? 0.713 -8.459 7.775 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 16 -ATOM 25443 H HD1 . TYR A 1 90 ? 1.120 -6.063 7.262 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 16 -ATOM 25444 H HD2 . TYR A 1 90 ? -2.718 -7.481 8.408 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 16 -ATOM 25445 H HE1 . TYR A 1 90 ? 0.402 -3.761 7.705 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 16 -ATOM 25446 H HE2 . TYR A 1 90 ? -3.435 -5.172 8.858 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 16 -ATOM 25447 H HH . TYR A 1 90 ? -1.573 -2.504 7.806 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 16 -ATOM 25448 N N . SER A 1 91 ? -0.912 -10.970 5.574 1.00 0.00 ? ? ? ? ? ? 88 SER A N 16 -ATOM 25449 C CA . SER A 1 91 ? -0.639 -12.314 5.148 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 16 -ATOM 25450 C C . SER A 1 91 ? -0.327 -12.301 3.651 1.00 0.00 ? ? ? ? ? ? 88 SER A C 16 -ATOM 25451 O O . SER A 1 91 ? 0.650 -12.890 3.211 1.00 0.00 ? ? ? ? ? ? 88 SER A O 16 -ATOM 25452 C CB . SER A 1 91 ? -1.845 -13.202 5.446 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 16 -ATOM 25453 O OG . SER A 1 91 ? -2.180 -13.150 6.830 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 16 -ATOM 25454 H H . SER A 1 91 ? -1.834 -10.752 5.831 1.00 0.00 ? ? ? ? ? ? 88 SER A H 16 -ATOM 25455 H HA . SER A 1 91 ? 0.222 -12.684 5.683 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 16 -ATOM 25456 H HB2 . SER A 1 91 ? -2.689 -12.848 4.873 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 16 -ATOM 25457 H HB3 . SER A 1 91 ? -1.622 -14.224 5.178 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 16 -ATOM 25458 H HG . SER A 1 91 ? -1.430 -13.539 7.297 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 16 -ATOM 25459 N N . GLU A 1 92 ? -1.126 -11.547 2.894 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 16 -ATOM 25460 C CA . GLU A 1 92 ? -0.937 -11.408 1.449 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 16 -ATOM 25461 C C . GLU A 1 92 ? 0.431 -10.790 1.160 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 16 -ATOM 25462 O O . GLU A 1 92 ? 1.112 -11.160 0.192 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 16 -ATOM 25463 C CB . GLU A 1 92 ? -2.028 -10.516 0.851 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 16 -ATOM 25464 C CG . GLU A 1 92 ? -3.452 -10.975 1.132 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 16 -ATOM 25465 C CD . GLU A 1 92 ? -3.742 -12.344 0.599 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 16 -ATOM 25466 O OE1 . GLU A 1 92 ? -4.025 -12.466 -0.592 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 16 -ATOM 25467 O OE2 . GLU A 1 92 ? -3.709 -13.320 1.370 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 16 -ATOM 25468 H H . GLU A 1 92 ? -1.887 -11.090 3.319 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 16 -ATOM 25469 H HA . GLU A 1 92 ? -0.988 -12.386 0.997 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 16 -ATOM 25470 H HB2 . GLU A 1 92 ? -1.914 -9.521 1.256 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 16 -ATOM 25471 H HB3 . GLU A 1 92 ? -1.892 -10.469 -0.219 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 16 -ATOM 25472 H HG2 . GLU A 1 92 ? -3.607 -10.992 2.201 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 16 -ATOM 25473 H HG3 . GLU A 1 92 ? -4.139 -10.272 0.683 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 16 -ATOM 25474 N N . ALA A 1 93 ? 0.829 -9.865 2.022 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 16 -ATOM 25475 C CA . ALA A 1 93 ? 2.101 -9.194 1.907 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 16 -ATOM 25476 C C . ALA A 1 93 ? 3.262 -10.142 2.201 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 16 -ATOM 25477 O O . ALA A 1 93 ? 4.199 -10.243 1.409 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 16 -ATOM 25478 C CB . ALA A 1 93 ? 2.150 -7.976 2.816 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 16 -ATOM 25479 H H . ALA A 1 93 ? 0.216 -9.621 2.747 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 16 -ATOM 25480 H HA . ALA A 1 93 ? 2.188 -8.856 0.886 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 16 -ATOM 25481 H HB1 . ALA A 1 93 ? 3.076 -7.443 2.659 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 16 -ATOM 25482 H HB2 . ALA A 1 93 ? 2.089 -8.298 3.846 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 16 -ATOM 25483 H HB3 . ALA A 1 93 ? 1.317 -7.325 2.594 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 16 -ATOM 25484 N N . VAL A 1 94 ? 3.189 -10.872 3.315 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 16 -ATOM 25485 C CA . VAL A 1 94 ? 4.282 -11.772 3.690 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 16 -ATOM 25486 C C . VAL A 1 94 ? 4.368 -12.970 2.725 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 16 -ATOM 25487 O O . VAL A 1 94 ? 5.445 -13.518 2.495 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 16 -ATOM 25488 C CB . VAL A 1 94 ? 4.209 -12.238 5.189 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 16 -ATOM 25489 C CG1 . VAL A 1 94 ? 3.002 -13.109 5.463 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 16 -ATOM 25490 C CG2 . VAL A 1 94 ? 5.496 -12.932 5.627 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 16 -ATOM 25491 H H . VAL A 1 94 ? 2.394 -10.798 3.889 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 16 -ATOM 25492 H HA . VAL A 1 94 ? 5.190 -11.203 3.547 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 16 -ATOM 25493 H HB . VAL A 1 94 ? 4.094 -11.345 5.787 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 16 -ATOM 25494 H HG11 . VAL A 1 94 ? 2.116 -12.550 5.204 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 16 -ATOM 25495 H HG12 . VAL A 1 94 ? 2.974 -13.374 6.511 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 16 -ATOM 25496 H HG13 . VAL A 1 94 ? 3.055 -14.001 4.857 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 16 -ATOM 25497 H HG21 . VAL A 1 94 ? 5.662 -13.802 5.011 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 16 -ATOM 25498 H HG22 . VAL A 1 94 ? 5.408 -13.234 6.661 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 16 -ATOM 25499 H HG23 . VAL A 1 94 ? 6.327 -12.252 5.522 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 16 -ATOM 25500 N N . LYS A 1 95 ? 3.241 -13.322 2.108 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 16 -ATOM 25501 C CA . LYS A 1 95 ? 3.204 -14.404 1.127 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 16 -ATOM 25502 C C . LYS A 1 95 ? 3.931 -14.057 -0.169 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 16 -ATOM 25503 O O . LYS A 1 95 ? 4.176 -14.928 -0.999 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 16 -ATOM 25504 C CB . LYS A 1 95 ? 1.776 -14.897 0.845 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 16 -ATOM 25505 C CG . LYS A 1 95 ? 1.142 -15.715 1.975 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 16 -ATOM 25506 C CD . LYS A 1 95 ? 2.025 -16.889 2.392 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 16 -ATOM 25507 C CE . LYS A 1 95 ? 2.342 -17.821 1.228 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 16 -ATOM 25508 N NZ . LYS A 1 95 ? 3.332 -18.833 1.616 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 16 -ATOM 25509 H H . LYS A 1 95 ? 2.403 -12.863 2.339 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 16 -ATOM 25510 H HA . LYS A 1 95 ? 3.761 -15.218 1.564 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 16 -ATOM 25511 H HB2 . LYS A 1 95 ? 1.159 -14.020 0.713 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 16 -ATOM 25512 H HB3 . LYS A 1 95 ? 1.759 -15.481 -0.063 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 16 -ATOM 25513 H HG2 . LYS A 1 95 ? 0.991 -15.073 2.830 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 16 -ATOM 25514 H HG3 . LYS A 1 95 ? 0.188 -16.094 1.639 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 16 -ATOM 25515 H HD2 . LYS A 1 95 ? 2.949 -16.516 2.807 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 16 -ATOM 25516 H HD3 . LYS A 1 95 ? 1.504 -17.450 3.154 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 16 -ATOM 25517 H HE2 . LYS A 1 95 ? 1.436 -18.314 0.908 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 16 -ATOM 25518 H HE3 . LYS A 1 95 ? 2.741 -17.239 0.411 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 16 -ATOM 25519 H HZ1 . LYS A 1 95 ? 2.985 -19.413 2.404 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 16 -ATOM 25520 H HZ2 . LYS A 1 95 ? 4.220 -18.357 1.895 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 16 -ATOM 25521 H HZ3 . LYS A 1 95 ? 3.547 -19.454 0.812 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 16 -ATOM 25522 N N . ARG A 1 96 ? 4.272 -12.797 -0.343 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 16 -ATOM 25523 C CA . ARG A 1 96 ? 5.076 -12.396 -1.482 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 16 -ATOM 25524 C C . ARG A 1 96 ? 6.530 -12.709 -1.214 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 16 -ATOM 25525 O O . ARG A 1 96 ? 7.317 -12.921 -2.132 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 16 -ATOM 25526 C CB . ARG A 1 96 ? 4.927 -10.905 -1.776 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 16 -ATOM 25527 C CG . ARG A 1 96 ? 3.586 -10.501 -2.351 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 16 -ATOM 25528 C CD . ARG A 1 96 ? 3.349 -11.139 -3.714 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 16 -ATOM 25529 N NE . ARG A 1 96 ? 4.439 -10.847 -4.668 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 16 -ATOM 25530 C CZ . ARG A 1 96 ? 4.332 -10.075 -5.759 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 16 -ATOM 25531 N NH1 . ARG A 1 96 ? 3.198 -9.447 -6.018 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 16 -ATOM 25532 N NH2 . ARG A 1 96 ? 5.362 -9.938 -6.586 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 16 -ATOM 25533 H H . ARG A 1 96 ? 3.971 -12.125 0.305 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 16 -ATOM 25534 H HA . ARG A 1 96 ? 4.755 -12.962 -2.342 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 16 -ATOM 25535 H HB2 . ARG A 1 96 ? 5.071 -10.359 -0.855 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 16 -ATOM 25536 H HB3 . ARG A 1 96 ? 5.698 -10.615 -2.475 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 16 -ATOM 25537 H HG2 . ARG A 1 96 ? 2.804 -10.812 -1.675 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 16 -ATOM 25538 H HG3 . ARG A 1 96 ? 3.562 -9.428 -2.460 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 16 -ATOM 25539 H HD2 . ARG A 1 96 ? 3.270 -12.209 -3.593 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 16 -ATOM 25540 H HD3 . ARG A 1 96 ? 2.422 -10.761 -4.116 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 16 -ATOM 25541 H HE . ARG A 1 96 ? 5.291 -11.304 -4.475 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 16 -ATOM 25542 H HH11 . ARG A 1 96 ? 2.392 -9.522 -5.434 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 16 -ATOM 25543 H HH12 . ARG A 1 96 ? 3.079 -8.848 -6.824 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 16 -ATOM 25544 H HH21 . ARG A 1 96 ? 6.240 -10.399 -6.429 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 16 -ATOM 25545 H HH22 . ARG A 1 96 ? 5.319 -9.370 -7.412 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 16 -ATOM 25546 N N . ILE A 1 97 ? 6.871 -12.766 0.043 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 16 -ATOM 25547 C CA . ILE A 1 97 ? 8.230 -12.971 0.435 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 16 -ATOM 25548 C C . ILE A 1 97 ? 8.462 -14.444 0.759 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 16 -ATOM 25549 O O . ILE A 1 97 ? 9.413 -15.052 0.255 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 16 -ATOM 25550 C CB . ILE A 1 97 ? 8.589 -12.084 1.649 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 16 -ATOM 25551 C CG1 . ILE A 1 97 ? 8.183 -10.630 1.355 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 16 -ATOM 25552 C CG2 . ILE A 1 97 ? 10.094 -12.160 1.935 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 16 -ATOM 25553 C CD1 . ILE A 1 97 ? 8.355 -9.689 2.521 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 16 -ATOM 25554 H H . ILE A 1 97 ? 6.175 -12.690 0.730 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 16 -ATOM 25555 H HA . ILE A 1 97 ? 8.861 -12.693 -0.396 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 16 -ATOM 25556 H HB . ILE A 1 97 ? 8.042 -12.429 2.513 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 16 -ATOM 25557 H HG12 . ILE A 1 97 ? 8.782 -10.254 0.539 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 16 -ATOM 25558 H HG13 . ILE A 1 97 ? 7.143 -10.615 1.064 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 16 -ATOM 25559 H HG21 . ILE A 1 97 ? 10.371 -13.183 2.145 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 16 -ATOM 25560 H HG22 . ILE A 1 97 ? 10.329 -11.543 2.789 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 16 -ATOM 25561 H HG23 . ILE A 1 97 ? 10.642 -11.807 1.075 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 16 -ATOM 25562 H HD11 . ILE A 1 97 ? 8.037 -8.700 2.228 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 16 -ATOM 25563 H HD12 . ILE A 1 97 ? 9.395 -9.664 2.811 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 16 -ATOM 25564 H HD13 . ILE A 1 97 ? 7.752 -10.031 3.350 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 16 -ATOM 25565 N N . LEU A 1 98 ? 7.594 -15.012 1.583 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 16 -ATOM 25566 C CA . LEU A 1 98 ? 7.690 -16.409 1.956 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 16 -ATOM 25567 C C . LEU A 1 98 ? 6.451 -17.157 1.478 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 16 -ATOM 25568 O O . LEU A 1 98 ? 6.404 -17.536 0.303 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 16 -ATOM 25569 C CB . LEU A 1 98 ? 7.861 -16.617 3.490 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 16 -ATOM 25570 C CG . LEU A 1 98 ? 9.112 -16.034 4.190 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 16 -ATOM 25571 C CD1 . LEU A 1 98 ? 10.396 -16.359 3.441 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 16 -ATOM 25572 C CD2 . LEU A 1 98 ? 8.972 -14.545 4.471 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 16 -ATOM 25573 O OXT . LEU A 1 98 ? 5.522 -17.403 2.291 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 16 -ATOM 25574 H H . LEU A 1 98 ? 6.841 -14.492 1.943 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 16 -ATOM 25575 H HA . LEU A 1 98 ? 8.550 -16.819 1.448 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 16 -ATOM 25576 H HB2 . LEU A 1 98 ? 7.000 -16.179 3.969 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 16 -ATOM 25577 H HB3 . LEU A 1 98 ? 7.838 -17.680 3.678 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 16 -ATOM 25578 H HG . LEU A 1 98 ? 9.200 -16.544 5.140 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 16 -ATOM 25579 H HD11 . LEU A 1 98 ? 11.239 -15.948 3.977 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 16 -ATOM 25580 H HD12 . LEU A 1 98 ? 10.357 -15.921 2.455 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 16 -ATOM 25581 H HD13 . LEU A 1 98 ? 10.509 -17.430 3.356 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 16 -ATOM 25582 H HD21 . LEU A 1 98 ? 8.122 -14.377 5.115 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 16 -ATOM 25583 H HD22 . LEU A 1 98 ? 8.827 -14.021 3.537 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 16 -ATOM 25584 H HD23 . LEU A 1 98 ? 9.868 -14.181 4.951 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 16 -ATOM 25585 N N . MET A 1 4 ? 9.821 15.819 -3.054 1.00 0.00 ? ? ? ? ? ? 1 MET A N 17 -ATOM 25586 C CA . MET A 1 4 ? 10.138 14.729 -3.951 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 17 -ATOM 25587 C C . MET A 1 4 ? 8.990 13.769 -3.945 1.00 0.00 ? ? ? ? ? ? 1 MET A C 17 -ATOM 25588 O O . MET A 1 4 ? 8.218 13.746 -2.996 1.00 0.00 ? ? ? ? ? ? 1 MET A O 17 -ATOM 25589 C CB . MET A 1 4 ? 11.450 14.011 -3.545 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 17 -ATOM 25590 C CG . MET A 1 4 ? 11.418 13.291 -2.197 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 17 -ATOM 25591 S SD . MET A 1 4 ? 12.977 12.452 -1.813 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 17 -ATOM 25592 C CE . MET A 1 4 ? 13.082 11.257 -3.155 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 17 -ATOM 25593 H H . MET A 1 4 ? 10.586 16.518 -2.981 1.00 0.00 ? ? ? ? ? ? 1 MET A H 17 -ATOM 25594 H HA . MET A 1 4 ? 10.236 15.130 -4.948 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 17 -ATOM 25595 H HB2 . MET A 1 4 ? 11.685 13.275 -4.299 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 17 -ATOM 25596 H HB3 . MET A 1 4 ? 12.244 14.744 -3.516 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 17 -ATOM 25597 H HG2 . MET A 1 4 ? 11.220 14.014 -1.420 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 17 -ATOM 25598 H HG3 . MET A 1 4 ? 10.625 12.557 -2.211 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 17 -ATOM 25599 H HE1 . MET A 1 4 ? 12.217 10.610 -3.135 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 17 -ATOM 25600 H HE2 . MET A 1 4 ? 13.978 10.664 -3.040 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 17 -ATOM 25601 H HE3 . MET A 1 4 ? 13.121 11.775 -4.102 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 17 -ATOM 25602 N N . ALA A 1 5 ? 8.875 12.994 -4.980 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 17 -ATOM 25603 C CA . ALA A 1 5 ? 7.812 12.046 -5.100 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 17 -ATOM 25604 C C . ALA A 1 5 ? 8.374 10.750 -5.610 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 17 -ATOM 25605 O O . ALA A 1 5 ? 9.410 10.733 -6.286 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 17 -ATOM 25606 C CB . ALA A 1 5 ? 6.731 12.568 -6.039 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 17 -ATOM 25607 H H . ALA A 1 5 ? 9.540 13.016 -5.704 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 17 -ATOM 25608 H HA . ALA A 1 5 ? 7.378 11.894 -4.122 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 17 -ATOM 25609 H HB1 . ALA A 1 5 ? 5.933 11.844 -6.105 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 17 -ATOM 25610 H HB2 . ALA A 1 5 ? 7.153 12.726 -7.020 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 17 -ATOM 25611 H HB3 . ALA A 1 5 ? 6.341 13.500 -5.657 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 17 -ATOM 25612 N N . TYR A 1 6 ? 7.728 9.686 -5.271 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 17 -ATOM 25613 C CA . TYR A 1 6 ? 8.128 8.364 -5.685 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 17 -ATOM 25614 C C . TYR A 1 6 ? 7.135 7.858 -6.700 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 17 -ATOM 25615 O O . TYR A 1 6 ? 6.063 8.458 -6.883 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 17 -ATOM 25616 C CB . TYR A 1 6 ? 8.137 7.397 -4.485 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 17 -ATOM 25617 C CG . TYR A 1 6 ? 9.214 7.623 -3.436 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 17 -ATOM 25618 C CD1 . TYR A 1 6 ? 9.440 8.873 -2.876 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 17 -ATOM 25619 C CD2 . TYR A 1 6 ? 9.998 6.565 -3.000 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 17 -ATOM 25620 C CE1 . TYR A 1 6 ? 10.407 9.062 -1.921 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 17 -ATOM 25621 C CE2 . TYR A 1 6 ? 10.962 6.744 -2.035 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 17 -ATOM 25622 C CZ . TYR A 1 6 ? 11.162 7.994 -1.500 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 17 -ATOM 25623 O OH . TYR A 1 6 ? 12.103 8.175 -0.523 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 17 -ATOM 25624 H H . TYR A 1 6 ? 6.920 9.779 -4.727 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 17 -ATOM 25625 H HA . TYR A 1 6 ? 9.119 8.406 -6.113 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 17 -ATOM 25626 H HB2 . TYR A 1 6 ? 7.187 7.469 -3.977 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 17 -ATOM 25627 H HB3 . TYR A 1 6 ? 8.249 6.393 -4.866 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 17 -ATOM 25628 H HD1 . TYR A 1 6 ? 8.845 9.712 -3.208 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 17 -ATOM 25629 H HD2 . TYR A 1 6 ? 9.838 5.583 -3.422 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 17 -ATOM 25630 H HE1 . TYR A 1 6 ? 10.567 10.043 -1.499 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 17 -ATOM 25631 H HE2 . TYR A 1 6 ? 11.562 5.908 -1.708 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 17 -ATOM 25632 H HH . TYR A 1 6 ? 12.855 7.578 -0.693 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 17 -ATOM 25633 N N . PHE A 1 7 ? 7.474 6.790 -7.362 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 17 -ATOM 25634 C CA . PHE A 1 7 ? 6.554 6.142 -8.264 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 17 -ATOM 25635 C C . PHE A 1 7 ? 5.555 5.356 -7.434 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 17 -ATOM 25636 O O . PHE A 1 7 ? 5.873 4.938 -6.337 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 17 -ATOM 25637 C CB . PHE A 1 7 ? 7.286 5.193 -9.224 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 17 -ATOM 25638 C CG . PHE A 1 7 ? 8.227 5.846 -10.195 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 17 -ATOM 25639 C CD1 . PHE A 1 7 ? 9.554 6.055 -9.872 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 17 -ATOM 25640 C CD2 . PHE A 1 7 ? 7.786 6.225 -11.446 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 17 -ATOM 25641 C CE1 . PHE A 1 7 ? 10.418 6.632 -10.776 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 17 -ATOM 25642 C CE2 . PHE A 1 7 ? 8.643 6.804 -12.349 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 17 -ATOM 25643 C CZ . PHE A 1 7 ? 9.961 7.008 -12.016 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 17 -ATOM 25644 H H . PHE A 1 7 ? 8.378 6.419 -7.232 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 17 -ATOM 25645 H HA . PHE A 1 7 ? 6.036 6.903 -8.823 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 17 -ATOM 25646 H HB2 . PHE A 1 7 ? 7.874 4.502 -8.640 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 17 -ATOM 25647 H HB3 . PHE A 1 7 ? 6.553 4.634 -9.788 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 17 -ATOM 25648 H HD1 . PHE A 1 7 ? 9.908 5.762 -8.895 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 17 -ATOM 25649 H HD2 . PHE A 1 7 ? 6.753 6.069 -11.716 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 17 -ATOM 25650 H HE1 . PHE A 1 7 ? 11.453 6.791 -10.512 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 17 -ATOM 25651 H HE2 . PHE A 1 7 ? 8.275 7.094 -13.321 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 17 -ATOM 25652 H HZ . PHE A 1 7 ? 10.633 7.459 -12.729 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 17 -ATOM 25653 N N . LEU A 1 8 ? 4.370 5.174 -7.929 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 17 -ATOM 25654 C CA . LEU A 1 8 ? 3.370 4.410 -7.207 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 17 -ATOM 25655 C C . LEU A 1 8 ? 2.885 3.321 -8.152 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 17 -ATOM 25656 O O . LEU A 1 8 ? 2.444 3.616 -9.275 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 17 -ATOM 25657 C CB . LEU A 1 8 ? 2.198 5.342 -6.750 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 17 -ATOM 25658 C CG . LEU A 1 8 ? 1.236 4.851 -5.606 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 17 -ATOM 25659 C CD1 . LEU A 1 8 ? 0.495 3.578 -5.949 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 17 -ATOM 25660 C CD2 . LEU A 1 8 ? 1.976 4.680 -4.297 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 17 -ATOM 25661 H H . LEU A 1 8 ? 4.154 5.527 -8.817 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 17 -ATOM 25662 H HA . LEU A 1 8 ? 3.843 3.954 -6.349 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 17 -ATOM 25663 H HB2 . LEU A 1 8 ? 2.630 6.279 -6.430 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 17 -ATOM 25664 H HB3 . LEU A 1 8 ? 1.597 5.542 -7.624 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 17 -ATOM 25665 H HG . LEU A 1 8 ? 0.476 5.607 -5.448 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 17 -ATOM 25666 H HD11 . LEU A 1 8 ? -0.102 3.281 -5.098 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 17 -ATOM 25667 H HD12 . LEU A 1 8 ? 1.208 2.799 -6.172 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 17 -ATOM 25668 H HD13 . LEU A 1 8 ? -0.146 3.746 -6.800 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 17 -ATOM 25669 H HD21 . LEU A 1 8 ? 2.388 5.625 -3.980 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 17 -ATOM 25670 H HD22 . LEU A 1 8 ? 2.768 3.958 -4.426 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 17 -ATOM 25671 H HD23 . LEU A 1 8 ? 1.287 4.321 -3.547 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 17 -ATOM 25672 N N . ASP A 1 9 ? 3.012 2.089 -7.749 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 17 -ATOM 25673 C CA . ASP A 1 9 ? 2.578 0.976 -8.572 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 17 -ATOM 25674 C C . ASP A 1 9 ? 1.769 0.016 -7.738 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 17 -ATOM 25675 O O . ASP A 1 9 ? 1.899 -0.010 -6.514 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 17 -ATOM 25676 C CB . ASP A 1 9 ? 3.775 0.250 -9.203 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 17 -ATOM 25677 C CG . ASP A 1 9 ? 3.356 -0.797 -10.220 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 17 -ATOM 25678 O OD1 . ASP A 1 9 ? 2.493 -0.488 -11.090 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 17 -ATOM 25679 O OD2 . ASP A 1 9 ? 3.859 -1.926 -10.173 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 17 -ATOM 25680 H H . ASP A 1 9 ? 3.402 1.894 -6.864 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 17 -ATOM 25681 H HA . ASP A 1 9 ? 1.951 1.372 -9.357 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 17 -ATOM 25682 H HB2 . ASP A 1 9 ? 4.442 0.954 -9.675 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 17 -ATOM 25683 H HB3 . ASP A 1 9 ? 4.305 -0.256 -8.410 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 17 -ATOM 25684 N N . PHE A 1 10 ? 0.946 -0.754 -8.379 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 17 -ATOM 25685 C CA . PHE A 1 10 ? 0.098 -1.705 -7.710 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 17 -ATOM 25686 C C . PHE A 1 10 ? 0.336 -3.074 -8.293 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 17 -ATOM 25687 O O . PHE A 1 10 ? 0.534 -3.207 -9.511 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 17 -ATOM 25688 C CB . PHE A 1 10 ? -1.388 -1.379 -7.929 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 17 -ATOM 25689 C CG . PHE A 1 10 ? -1.890 -0.057 -7.418 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 17 -ATOM 25690 C CD1 . PHE A 1 10 ? -2.411 0.054 -6.143 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 17 -ATOM 25691 C CD2 . PHE A 1 10 ? -1.883 1.064 -8.235 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 17 -ATOM 25692 C CE1 . PHE A 1 10 ? -2.915 1.255 -5.687 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 17 -ATOM 25693 C CE2 . PHE A 1 10 ? -2.379 2.269 -7.785 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 17 -ATOM 25694 C CZ . PHE A 1 10 ? -2.898 2.366 -6.508 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 17 -ATOM 25695 H H . PHE A 1 10 ? 0.941 -0.718 -9.360 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 17 -ATOM 25696 H HA . PHE A 1 10 ? 0.307 -1.700 -6.651 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 17 -ATOM 25697 H HB2 . PHE A 1 10 ? -1.569 -1.377 -8.993 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 17 -ATOM 25698 H HB3 . PHE A 1 10 ? -1.982 -2.163 -7.481 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 17 -ATOM 25699 H HD1 . PHE A 1 10 ? -2.421 -0.812 -5.497 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 17 -ATOM 25700 H HD2 . PHE A 1 10 ? -1.478 0.988 -9.233 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 17 -ATOM 25701 H HE1 . PHE A 1 10 ? -3.321 1.326 -4.689 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 17 -ATOM 25702 H HE2 . PHE A 1 10 ? -2.363 3.136 -8.429 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 17 -ATOM 25703 H HZ . PHE A 1 10 ? -3.293 3.305 -6.152 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 17 -ATOM 25704 N N . ASP A 1 11 ? 0.344 -4.077 -7.456 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 17 -ATOM 25705 C CA . ASP A 1 11 ? 0.377 -5.444 -7.929 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 17 -ATOM 25706 C C . ASP A 1 11 ? -0.977 -5.777 -8.530 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 17 -ATOM 25707 O O . ASP A 1 11 ? -1.975 -5.131 -8.182 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 17 -ATOM 25708 C CB . ASP A 1 11 ? 0.712 -6.438 -6.815 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 17 -ATOM 25709 C CG . ASP A 1 11 ? 0.712 -7.859 -7.333 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 17 -ATOM 25710 O OD1 . ASP A 1 11 ? 1.706 -8.266 -7.990 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 17 -ATOM 25711 O OD2 . ASP A 1 11 ? -0.290 -8.567 -7.150 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 17 -ATOM 25712 H H . ASP A 1 11 ? 0.349 -3.902 -6.487 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 17 -ATOM 25713 H HA . ASP A 1 11 ? 1.120 -5.507 -8.709 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 17 -ATOM 25714 H HB2 . ASP A 1 11 ? 1.690 -6.213 -6.415 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 17 -ATOM 25715 H HB3 . ASP A 1 11 ? -0.024 -6.359 -6.027 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 17 -ATOM 25716 N N . GLU A 1 12 ? -1.020 -6.743 -9.431 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 17 -ATOM 25717 C CA . GLU A 1 12 ? -2.252 -7.143 -10.059 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 17 -ATOM 25718 C C . GLU A 1 12 ? -3.343 -7.491 -9.033 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 17 -ATOM 25719 O O . GLU A 1 12 ? -4.490 -7.113 -9.238 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 17 -ATOM 25720 C CB . GLU A 1 12 ? -2.056 -8.313 -11.016 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 17 -ATOM 25721 C CG . GLU A 1 12 ? -1.424 -9.530 -10.385 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 17 -ATOM 25722 C CD . GLU A 1 12 ? -1.826 -10.788 -11.081 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 17 -ATOM 25723 O OE1 . GLU A 1 12 ? -1.173 -11.198 -12.054 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 17 -ATOM 25724 O OE2 . GLU A 1 12 ? -2.852 -11.382 -10.673 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 17 -ATOM 25725 H H . GLU A 1 12 ? -0.188 -7.201 -9.675 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 17 -ATOM 25726 H HA . GLU A 1 12 ? -2.599 -6.293 -10.632 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 17 -ATOM 25727 H HB2 . GLU A 1 12 ? -3.019 -8.602 -11.409 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 17 -ATOM 25728 H HB3 . GLU A 1 12 ? -1.426 -7.990 -11.832 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 17 -ATOM 25729 H HG2 . GLU A 1 12 ? -0.350 -9.430 -10.446 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 17 -ATOM 25730 H HG3 . GLU A 1 12 ? -1.728 -9.587 -9.350 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 17 -ATOM 25731 N N . ARG A 1 13 ? -2.995 -8.161 -7.897 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 17 -ATOM 25732 C CA . ARG A 1 13 ? -4.041 -8.486 -6.916 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 17 -ATOM 25733 C C . ARG A 1 13 ? -4.559 -7.216 -6.298 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 17 -ATOM 25734 O O . ARG A 1 13 ? -5.752 -7.050 -6.137 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 17 -ATOM 25735 C CB . ARG A 1 13 ? -3.627 -9.483 -5.793 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 17 -ATOM 25736 C CG . ARG A 1 13 ? -2.561 -8.989 -4.811 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 17 -ATOM 25737 C CD . ARG A 1 13 ? -2.553 -9.821 -3.523 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 17 -ATOM 25738 N NE . ARG A 1 13 ? -3.789 -9.628 -2.709 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 17 -ATOM 25739 C CZ . ARG A 1 13 ? -4.219 -10.439 -1.716 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 17 -ATOM 25740 N NH1 . ARG A 1 13 ? -3.553 -11.536 -1.394 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 17 -ATOM 25741 N NH2 . ARG A 1 13 ? -5.332 -10.143 -1.053 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 17 -ATOM 25742 H H . ARG A 1 13 ? -2.050 -8.402 -7.733 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 17 -ATOM 25743 H HA . ARG A 1 13 ? -4.858 -8.906 -7.485 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 17 -ATOM 25744 H HB2 . ARG A 1 13 ? -4.505 -9.727 -5.214 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 17 -ATOM 25745 H HB3 . ARG A 1 13 ? -3.263 -10.388 -6.256 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 17 -ATOM 25746 H HG2 . ARG A 1 13 ? -1.591 -9.063 -5.280 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 17 -ATOM 25747 H HG3 . ARG A 1 13 ? -2.765 -7.958 -4.564 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 17 -ATOM 25748 H HD2 . ARG A 1 13 ? -2.464 -10.867 -3.781 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 17 -ATOM 25749 H HD3 . ARG A 1 13 ? -1.701 -9.527 -2.930 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 17 -ATOM 25750 H HE . ARG A 1 13 ? -4.322 -8.812 -2.912 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 17 -ATOM 25751 H HH11 . ARG A 1 13 ? -2.702 -11.827 -1.860 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 17 -ATOM 25752 H HH12 . ARG A 1 13 ? -3.862 -12.145 -0.665 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 17 -ATOM 25753 H HH21 . ARG A 1 13 ? -5.873 -9.314 -1.278 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 17 -ATOM 25754 H HH22 . ARG A 1 13 ? -5.703 -10.711 -0.307 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 17 -ATOM 25755 N N . ALA A 1 14 ? -3.645 -6.287 -6.051 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 17 -ATOM 25756 C CA . ALA A 1 14 ? -3.966 -5.027 -5.439 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 17 -ATOM 25757 C C . ALA A 1 14 ? -4.879 -4.225 -6.342 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 17 -ATOM 25758 O O . ALA A 1 14 ? -5.785 -3.593 -5.876 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 17 -ATOM 25759 C CB . ALA A 1 14 ? -2.700 -4.249 -5.104 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 17 -ATOM 25760 H H . ALA A 1 14 ? -2.718 -6.462 -6.315 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 17 -ATOM 25761 H HA . ALA A 1 14 ? -4.490 -5.241 -4.518 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 17 -ATOM 25762 H HB1 . ALA A 1 14 ? -2.077 -4.843 -4.449 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 17 -ATOM 25763 H HB2 . ALA A 1 14 ? -2.963 -3.325 -4.611 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 17 -ATOM 25764 H HB3 . ALA A 1 14 ? -2.161 -4.034 -6.015 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 17 -ATOM 25765 N N . LEU A 1 15 ? -4.653 -4.303 -7.647 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 17 -ATOM 25766 C CA . LEU A 1 15 ? -5.498 -3.625 -8.607 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 17 -ATOM 25767 C C . LEU A 1 15 ? -6.878 -4.236 -8.634 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 17 -ATOM 25768 O O . LEU A 1 15 ? -7.872 -3.528 -8.633 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 17 -ATOM 25769 C CB . LEU A 1 15 ? -4.876 -3.638 -10.000 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 17 -ATOM 25770 C CG . LEU A 1 15 ? -3.755 -2.635 -10.240 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 17 -ATOM 25771 C CD1 . LEU A 1 15 ? -3.104 -2.881 -11.591 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 17 -ATOM 25772 C CD2 . LEU A 1 15 ? -4.308 -1.207 -10.177 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 17 -ATOM 25773 H H . LEU A 1 15 ? -3.897 -4.839 -7.973 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 17 -ATOM 25774 H HA . LEU A 1 15 ? -5.593 -2.600 -8.278 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 17 -ATOM 25775 H HB2 . LEU A 1 15 ? -4.483 -4.628 -10.176 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 17 -ATOM 25776 H HB3 . LEU A 1 15 ? -5.660 -3.452 -10.715 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 17 -ATOM 25777 H HG . LEU A 1 15 ? -3.009 -2.742 -9.467 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 17 -ATOM 25778 H HD11 . LEU A 1 15 ? -2.693 -3.880 -11.614 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 17 -ATOM 25779 H HD12 . LEU A 1 15 ? -2.313 -2.163 -11.747 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 17 -ATOM 25780 H HD13 . LEU A 1 15 ? -3.843 -2.779 -12.371 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 17 -ATOM 25781 H HD21 . LEU A 1 15 ? -5.073 -1.083 -10.929 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 17 -ATOM 25782 H HD22 . LEU A 1 15 ? -3.512 -0.502 -10.368 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 17 -ATOM 25783 H HD23 . LEU A 1 15 ? -4.732 -1.005 -9.204 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 17 -ATOM 25784 N N . LYS A 1 16 ? -6.929 -5.543 -8.612 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 17 -ATOM 25785 C CA . LYS A 1 16 ? -8.183 -6.272 -8.625 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 17 -ATOM 25786 C C . LYS A 1 16 ? -8.998 -5.964 -7.365 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 17 -ATOM 25787 O O . LYS A 1 16 ? -10.216 -5.732 -7.437 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 17 -ATOM 25788 C CB . LYS A 1 16 ? -7.898 -7.770 -8.795 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 17 -ATOM 25789 C CG . LYS A 1 16 ? -7.270 -8.073 -10.152 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 17 -ATOM 25790 C CD . LYS A 1 16 ? -6.602 -9.437 -10.215 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 17 -ATOM 25791 C CE . LYS A 1 16 ? -5.979 -9.647 -11.593 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 17 -ATOM 25792 N NZ . LYS A 1 16 ? -5.261 -10.929 -11.720 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 17 -ATOM 25793 H H . LYS A 1 16 ? -6.082 -6.043 -8.579 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 17 -ATOM 25794 H HA . LYS A 1 16 ? -8.744 -5.922 -9.478 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 17 -ATOM 25795 H HB2 . LYS A 1 16 ? -7.220 -8.088 -8.017 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 17 -ATOM 25796 H HB3 . LYS A 1 16 ? -8.822 -8.323 -8.715 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 17 -ATOM 25797 H HG2 . LYS A 1 16 ? -8.044 -8.046 -10.902 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 17 -ATOM 25798 H HG3 . LYS A 1 16 ? -6.537 -7.310 -10.369 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 17 -ATOM 25799 H HD2 . LYS A 1 16 ? -5.820 -9.449 -9.469 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 17 -ATOM 25800 H HD3 . LYS A 1 16 ? -7.325 -10.212 -10.015 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 17 -ATOM 25801 H HE2 . LYS A 1 16 ? -6.763 -9.620 -12.335 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 17 -ATOM 25802 H HE3 . LYS A 1 16 ? -5.290 -8.837 -11.784 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 17 -ATOM 25803 H HZ1 . LYS A 1 16 ? -4.935 -11.037 -12.703 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 17 -ATOM 25804 H HZ2 . LYS A 1 16 ? -5.865 -11.743 -11.503 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 17 -ATOM 25805 H HZ3 . LYS A 1 16 ? -4.405 -10.982 -11.123 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 17 -ATOM 25806 N N . GLU A 1 17 ? -8.317 -5.915 -6.231 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 17 -ATOM 25807 C CA . GLU A 1 17 ? -8.937 -5.562 -4.967 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 17 -ATOM 25808 C C . GLU A 1 17 ? -9.334 -4.080 -4.949 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 17 -ATOM 25809 O O . GLU A 1 17 ? -10.397 -3.733 -4.482 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 17 -ATOM 25810 C CB . GLU A 1 17 ? -8.013 -5.911 -3.797 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 17 -ATOM 25811 C CG . GLU A 1 17 ? -7.662 -7.388 -3.749 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 17 -ATOM 25812 C CD . GLU A 1 17 ? -6.740 -7.765 -2.624 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 17 -ATOM 25813 O OE1 . GLU A 1 17 ? -5.511 -7.570 -2.738 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 17 -ATOM 25814 O OE2 . GLU A 1 17 ? -7.223 -8.328 -1.610 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 17 -ATOM 25815 H H . GLU A 1 17 ? -7.360 -6.148 -6.235 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 17 -ATOM 25816 H HA . GLU A 1 17 ? -9.841 -6.148 -4.886 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 17 -ATOM 25817 H HB2 . GLU A 1 17 ? -7.099 -5.344 -3.893 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 17 -ATOM 25818 H HB3 . GLU A 1 17 ? -8.497 -5.647 -2.868 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 17 -ATOM 25819 H HG2 . GLU A 1 17 ? -8.576 -7.952 -3.638 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 17 -ATOM 25820 H HG3 . GLU A 1 17 ? -7.196 -7.656 -4.686 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 17 -ATOM 25821 N N . TRP A 1 18 ? -8.486 -3.236 -5.504 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 17 -ATOM 25822 C CA . TRP A 1 18 ? -8.714 -1.783 -5.610 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 17 -ATOM 25823 C C . TRP A 1 18 ? -9.981 -1.498 -6.438 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 17 -ATOM 25824 O O . TRP A 1 18 ? -10.792 -0.623 -6.100 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 17 -ATOM 25825 C CB . TRP A 1 18 ? -7.475 -1.154 -6.281 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 17 -ATOM 25826 C CG . TRP A 1 18 ? -7.470 0.330 -6.432 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 17 -ATOM 25827 C CD1 . TRP A 1 18 ? -7.843 1.045 -7.532 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 17 -ATOM 25828 C CD2 . TRP A 1 18 ? -7.022 1.278 -5.467 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 17 -ATOM 25829 N NE1 . TRP A 1 18 ? -7.679 2.387 -7.296 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 17 -ATOM 25830 C CE2 . TRP A 1 18 ? -7.173 2.555 -6.035 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 17 -ATOM 25831 C CE3 . TRP A 1 18 ? -6.518 1.171 -4.168 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 17 -ATOM 25832 C CZ2 . TRP A 1 18 ? -6.832 3.712 -5.355 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 17 -ATOM 25833 C CZ3 . TRP A 1 18 ? -6.178 2.321 -3.495 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 17 -ATOM 25834 C CH2 . TRP A 1 18 ? -6.337 3.575 -4.088 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 17 -ATOM 25835 H H . TRP A 1 18 ? -7.631 -3.587 -5.844 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 17 -ATOM 25836 H HA . TRP A 1 18 ? -8.828 -1.372 -4.618 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 17 -ATOM 25837 H HB2 . TRP A 1 18 ? -6.604 -1.409 -5.697 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 17 -ATOM 25838 H HB3 . TRP A 1 18 ? -7.365 -1.590 -7.263 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 17 -ATOM 25839 H HD1 . TRP A 1 18 ? -8.218 0.597 -8.441 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 17 -ATOM 25840 H HE1 . TRP A 1 18 ? -7.890 3.103 -7.934 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 17 -ATOM 25841 H HE3 . TRP A 1 18 ? -6.390 0.207 -3.698 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 17 -ATOM 25842 H HZ2 . TRP A 1 18 ? -6.951 4.687 -5.803 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 17 -ATOM 25843 H HZ3 . TRP A 1 18 ? -5.783 2.262 -2.491 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 17 -ATOM 25844 H HH2 . TRP A 1 18 ? -6.058 4.452 -3.522 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 17 -ATOM 25845 N N . ARG A 1 19 ? -10.145 -2.248 -7.507 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 17 -ATOM 25846 C CA . ARG A 1 19 ? -11.305 -2.123 -8.376 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 17 -ATOM 25847 C C . ARG A 1 19 ? -12.539 -2.709 -7.702 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 17 -ATOM 25848 O O . ARG A 1 19 ? -13.663 -2.229 -7.919 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 17 -ATOM 25849 C CB . ARG A 1 19 ? -11.034 -2.799 -9.713 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 17 -ATOM 25850 C CG . ARG A 1 19 ? -9.876 -2.171 -10.460 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 17 -ATOM 25851 C CD . ARG A 1 19 ? -9.466 -3.000 -11.646 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 17 -ATOM 25852 N NE . ARG A 1 19 ? -8.218 -2.516 -12.238 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 17 -ATOM 25853 C CZ . ARG A 1 19 ? -7.314 -3.291 -12.847 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 17 -ATOM 25854 N NH1 . ARG A 1 19 ? -7.523 -4.604 -12.949 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 17 -ATOM 25855 N NH2 . ARG A 1 19 ? -6.195 -2.757 -13.338 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 17 -ATOM 25856 H H . ARG A 1 19 ? -9.435 -2.895 -7.726 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 17 -ATOM 25857 H HA . ARG A 1 19 ? -11.477 -1.070 -8.540 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 17 -ATOM 25858 H HB2 . ARG A 1 19 ? -10.806 -3.839 -9.535 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 17 -ATOM 25859 H HB3 . ARG A 1 19 ? -11.915 -2.735 -10.333 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 17 -ATOM 25860 H HG2 . ARG A 1 19 ? -10.176 -1.191 -10.803 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 17 -ATOM 25861 H HG3 . ARG A 1 19 ? -9.038 -2.077 -9.786 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 17 -ATOM 25862 H HD2 . ARG A 1 19 ? -9.318 -4.014 -11.306 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 17 -ATOM 25863 H HD3 . ARG A 1 19 ? -10.246 -2.972 -12.393 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 17 -ATOM 25864 H HE . ARG A 1 19 ? -8.077 -1.545 -12.141 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 17 -ATOM 25865 H HH11 . ARG A 1 19 ? -8.347 -5.047 -12.581 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 17 -ATOM 25866 H HH12 . ARG A 1 19 ? -6.867 -5.218 -13.394 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 17 -ATOM 25867 H HH21 . ARG A 1 19 ? -5.995 -1.775 -13.270 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 17 -ATOM 25868 H HH22 . ARG A 1 19 ? -5.500 -3.326 -13.790 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 17 -ATOM 25869 N N . LYS A 1 20 ? -12.316 -3.722 -6.876 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 17 -ATOM 25870 C CA . LYS A 1 20 ? -13.365 -4.359 -6.085 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 17 -ATOM 25871 C C . LYS A 1 20 ? -13.893 -3.380 -5.043 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 17 -ATOM 25872 O O . LYS A 1 20 ? -15.100 -3.272 -4.826 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 17 -ATOM 25873 C CB . LYS A 1 20 ? -12.791 -5.578 -5.362 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 17 -ATOM 25874 C CG . LYS A 1 20 ? -13.769 -6.279 -4.434 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 17 -ATOM 25875 C CD . LYS A 1 20 ? -13.073 -7.302 -3.548 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 17 -ATOM 25876 C CE . LYS A 1 20 ? -12.411 -8.398 -4.353 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 17 -ATOM 25877 N NZ . LYS A 1 20 ? -11.787 -9.409 -3.486 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 17 -ATOM 25878 H H . LYS A 1 20 ? -11.400 -4.068 -6.793 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 17 -ATOM 25879 H HA . LYS A 1 20 ? -14.161 -4.679 -6.739 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 17 -ATOM 25880 H HB2 . LYS A 1 20 ? -12.451 -6.287 -6.102 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 17 -ATOM 25881 H HB3 . LYS A 1 20 ? -11.941 -5.255 -4.778 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 17 -ATOM 25882 H HG2 . LYS A 1 20 ? -14.238 -5.538 -3.805 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 17 -ATOM 25883 H HG3 . LYS A 1 20 ? -14.521 -6.776 -5.029 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 17 -ATOM 25884 H HD2 . LYS A 1 20 ? -12.317 -6.797 -2.965 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 17 -ATOM 25885 H HD3 . LYS A 1 20 ? -13.804 -7.736 -2.883 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 17 -ATOM 25886 H HE2 . LYS A 1 20 ? -13.164 -8.878 -4.960 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 17 -ATOM 25887 H HE3 . LYS A 1 20 ? -11.656 -7.961 -4.989 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 17 -ATOM 25888 H HZ1 . LYS A 1 20 ? -11.064 -9.002 -2.861 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 17 -ATOM 25889 H HZ2 . LYS A 1 20 ? -11.313 -10.130 -4.068 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 17 -ATOM 25890 H HZ3 . LYS A 1 20 ? -12.501 -9.892 -2.906 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 17 -ATOM 25891 N N . LEU A 1 21 ? -12.959 -2.693 -4.408 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 17 -ATOM 25892 C CA . LEU A 1 21 ? -13.223 -1.722 -3.361 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 17 -ATOM 25893 C C . LEU A 1 21 ? -14.223 -0.659 -3.763 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 17 -ATOM 25894 O O . LEU A 1 21 ? -14.390 -0.325 -4.960 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 17 -ATOM 25895 C CB . LEU A 1 21 ? -11.924 -1.044 -2.908 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 17 -ATOM 25896 C CG . LEU A 1 21 ? -11.353 -1.459 -1.546 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 17 -ATOM 25897 C CD1 . LEU A 1 21 ? -11.058 -2.948 -1.474 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 17 -ATOM 25898 C CD2 . LEU A 1 21 ? -10.108 -0.656 -1.241 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 17 -ATOM 25899 H H . LEU A 1 21 ? -12.021 -2.865 -4.645 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 17 -ATOM 25900 H HA . LEU A 1 21 ? -13.610 -2.272 -2.518 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 17 -ATOM 25901 H HB2 . LEU A 1 21 ? -11.171 -1.241 -3.657 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 17 -ATOM 25902 H HB3 . LEU A 1 21 ? -12.100 0.022 -2.886 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 17 -ATOM 25903 H HG . LEU A 1 21 ? -12.082 -1.227 -0.786 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 17 -ATOM 25904 H HD11 . LEU A 1 21 ? -11.970 -3.502 -1.640 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 17 -ATOM 25905 H HD12 . LEU A 1 21 ? -10.665 -3.189 -0.497 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 17 -ATOM 25906 H HD13 . LEU A 1 21 ? -10.334 -3.211 -2.232 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 17 -ATOM 25907 H HD21 . LEU A 1 21 ? -10.367 0.392 -1.217 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 17 -ATOM 25908 H HD22 . LEU A 1 21 ? -9.364 -0.830 -2.005 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 17 -ATOM 25909 H HD23 . LEU A 1 21 ? -9.718 -0.950 -0.279 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 17 -ATOM 25910 N N . GLY A 1 22 ? -14.887 -0.140 -2.760 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 17 -ATOM 25911 C CA . GLY A 1 22 ? -15.809 0.923 -2.939 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 17 -ATOM 25912 C C . GLY A 1 22 ? -15.075 2.151 -3.370 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 17 -ATOM 25913 O O . GLY A 1 22 ? -13.958 2.414 -2.889 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 17 -ATOM 25914 H H . GLY A 1 22 ? -14.722 -0.507 -1.864 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 17 -ATOM 25915 H HA2 . GLY A 1 22 ? -16.538 0.649 -3.689 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 17 -ATOM 25916 H HA3 . GLY A 1 22 ? -16.311 1.125 -2.006 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 17 -ATOM 25917 N N . SER A 1 23 ? -15.676 2.892 -4.250 1.00 0.00 ? ? ? ? ? ? 20 SER A N 17 -ATOM 25918 C CA . SER A 1 23 ? -15.090 4.057 -4.849 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 17 -ATOM 25919 C C . SER A 1 23 ? -14.586 5.078 -3.815 1.00 0.00 ? ? ? ? ? ? 20 SER A C 17 -ATOM 25920 O O . SER A 1 23 ? -13.450 5.519 -3.886 1.00 0.00 ? ? ? ? ? ? 20 SER A O 17 -ATOM 25921 C CB . SER A 1 23 ? -16.107 4.636 -5.817 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 17 -ATOM 25922 O OG . SER A 1 23 ? -17.429 4.451 -5.303 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 17 -ATOM 25923 H H . SER A 1 23 ? -16.593 2.685 -4.523 1.00 0.00 ? ? ? ? ? ? 20 SER A H 17 -ATOM 25924 H HA . SER A 1 23 ? -14.241 3.722 -5.427 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 17 -ATOM 25925 H HB2 . SER A 1 23 ? -15.926 5.692 -5.940 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 17 -ATOM 25926 H HB3 . SER A 1 23 ? -16.033 4.137 -6.772 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 17 -ATOM 25927 H HG . SER A 1 23 ? -17.842 5.325 -5.247 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 17 -ATOM 25928 N N . THR A 1 24 ? -15.393 5.359 -2.825 1.00 0.00 ? ? ? ? ? ? 21 THR A N 17 -ATOM 25929 C CA . THR A 1 24 ? -15.054 6.319 -1.790 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 17 -ATOM 25930 C C . THR A 1 24 ? -13.913 5.792 -0.907 1.00 0.00 ? ? ? ? ? ? 21 THR A C 17 -ATOM 25931 O O . THR A 1 24 ? -13.007 6.547 -0.512 1.00 0.00 ? ? ? ? ? ? 21 THR A O 17 -ATOM 25932 C CB . THR A 1 24 ? -16.298 6.629 -0.940 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 17 -ATOM 25933 O OG1 . THR A 1 24 ? -17.347 7.088 -1.817 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 17 -ATOM 25934 C CG2 . THR A 1 24 ? -16.009 7.697 0.105 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 17 -ATOM 25935 H H . THR A 1 24 ? -16.252 4.891 -2.781 1.00 0.00 ? ? ? ? ? ? 21 THR A H 17 -ATOM 25936 H HA . THR A 1 24 ? -14.729 7.228 -2.274 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 17 -ATOM 25937 H HB . THR A 1 24 ? -16.601 5.713 -0.453 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 17 -ATOM 25938 H HG1 . THR A 1 24 ? -18.191 6.869 -1.401 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 17 -ATOM 25939 H HG21 . THR A 1 24 ? -15.231 7.349 0.768 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 17 -ATOM 25940 H HG22 . THR A 1 24 ? -16.904 7.900 0.675 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 17 -ATOM 25941 H HG23 . THR A 1 24 ? -15.682 8.603 -0.384 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 17 -ATOM 25942 N N . VAL A 1 25 ? -13.930 4.487 -0.670 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 17 -ATOM 25943 C CA . VAL A 1 25 ? -12.931 3.842 0.150 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 17 -ATOM 25944 C C . VAL A 1 25 ? -11.582 3.936 -0.539 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 17 -ATOM 25945 O O . VAL A 1 25 ? -10.582 4.363 0.051 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 17 -ATOM 25946 C CB . VAL A 1 25 ? -13.288 2.346 0.353 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 17 -ATOM 25947 C CG1 . VAL A 1 25 ? -12.212 1.625 1.136 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 17 -ATOM 25948 C CG2 . VAL A 1 25 ? -14.636 2.196 1.043 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 17 -ATOM 25949 H H . VAL A 1 25 ? -14.627 3.932 -1.076 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 17 -ATOM 25950 H HA . VAL A 1 25 ? -12.892 4.328 1.114 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 17 -ATOM 25951 H HB . VAL A 1 25 ? -13.361 1.894 -0.625 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 17 -ATOM 25952 H HG11 . VAL A 1 25 ? -11.274 1.695 0.606 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 17 -ATOM 25953 H HG12 . VAL A 1 25 ? -12.485 0.587 1.255 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 17 -ATOM 25954 H HG13 . VAL A 1 25 ? -12.111 2.084 2.109 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 17 -ATOM 25955 H HG21 . VAL A 1 25 ? -14.600 2.670 2.012 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 17 -ATOM 25956 H HG22 . VAL A 1 25 ? -14.864 1.148 1.164 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 17 -ATOM 25957 H HG23 . VAL A 1 25 ? -15.400 2.665 0.440 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 17 -ATOM 25958 N N . ARG A 1 26 ? -11.574 3.600 -1.807 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 17 -ATOM 25959 C CA . ARG A 1 26 ? -10.368 3.651 -2.573 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 17 -ATOM 25960 C C . ARG A 1 26 ? -9.887 5.080 -2.804 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 17 -ATOM 25961 O O . ARG A 1 26 ? -8.701 5.311 -2.839 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 17 -ATOM 25962 C CB . ARG A 1 26 ? -10.425 2.834 -3.851 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 17 -ATOM 25963 C CG . ARG A 1 26 ? -11.528 3.202 -4.806 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 17 -ATOM 25964 C CD . ARG A 1 26 ? -11.251 2.592 -6.150 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 17 -ATOM 25965 N NE . ARG A 1 26 ? -12.296 2.894 -7.138 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 17 -ATOM 25966 C CZ . ARG A 1 26 ? -13.027 1.970 -7.793 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 17 -ATOM 25967 N NH1 . ARG A 1 26 ? -12.888 0.669 -7.504 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 17 -ATOM 25968 N NH2 . ARG A 1 26 ? -13.904 2.356 -8.720 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 17 -ATOM 25969 H H . ARG A 1 26 ? -12.415 3.304 -2.225 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 17 -ATOM 25970 H HA . ARG A 1 26 ? -9.626 3.206 -1.924 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 17 -ATOM 25971 H HB2 . ARG A 1 26 ? -9.484 2.921 -4.373 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 17 -ATOM 25972 H HB3 . ARG A 1 26 ? -10.573 1.801 -3.564 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 17 -ATOM 25973 H HG2 . ARG A 1 26 ? -12.435 2.764 -4.412 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 17 -ATOM 25974 H HG3 . ARG A 1 26 ? -11.661 4.273 -4.874 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 17 -ATOM 25975 H HD2 . ARG A 1 26 ? -10.306 3.014 -6.467 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 17 -ATOM 25976 H HD3 . ARG A 1 26 ? -11.142 1.524 -6.035 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 17 -ATOM 25977 H HE . ARG A 1 26 ? -12.400 3.857 -7.318 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 17 -ATOM 25978 H HH11 . ARG A 1 26 ? -12.236 0.346 -6.806 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 17 -ATOM 25979 H HH12 . ARG A 1 26 ? -13.426 -0.052 -7.948 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 17 -ATOM 25980 H HH21 . ARG A 1 26 ? -14.045 3.322 -8.953 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 17 -ATOM 25981 H HH22 . ARG A 1 26 ? -14.473 1.724 -9.256 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 17 -ATOM 25982 N N . GLU A 1 27 ? -10.816 6.030 -2.972 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 17 -ATOM 25983 C CA . GLU A 1 27 ? -10.450 7.451 -3.090 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 17 -ATOM 25984 C C . GLU A 1 27 ? -9.667 7.901 -1.876 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 17 -ATOM 25985 O O . GLU A 1 27 ? -8.645 8.569 -2.005 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 17 -ATOM 25986 C CB . GLU A 1 27 ? -11.678 8.345 -3.244 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 17 -ATOM 25987 C CG . GLU A 1 27 ? -12.346 8.281 -4.597 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 17 -ATOM 25988 C CD . GLU A 1 27 ? -13.626 9.072 -4.635 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 17 -ATOM 25989 O OE1 . GLU A 1 27 ? -13.577 10.319 -4.636 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 17 -ATOM 25990 O OE2 . GLU A 1 27 ? -14.715 8.459 -4.655 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 17 -ATOM 25991 H H . GLU A 1 27 ? -11.765 5.780 -3.037 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 17 -ATOM 25992 H HA . GLU A 1 27 ? -9.826 7.559 -3.964 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 17 -ATOM 25993 H HB2 . GLU A 1 27 ? -12.407 8.061 -2.499 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 17 -ATOM 25994 H HB3 . GLU A 1 27 ? -11.378 9.367 -3.059 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 17 -ATOM 25995 H HG2 . GLU A 1 27 ? -11.671 8.671 -5.344 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 17 -ATOM 25996 H HG3 . GLU A 1 27 ? -12.570 7.249 -4.818 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 17 -ATOM 25997 N N . GLN A 1 28 ? -10.123 7.496 -0.701 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 17 -ATOM 25998 C CA . GLN A 1 28 ? -9.471 7.872 0.534 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 17 -ATOM 25999 C C . GLN A 1 28 ? -8.094 7.243 0.644 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 17 -ATOM 26000 O O . GLN A 1 28 ? -7.143 7.889 1.086 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 17 -ATOM 26001 C CB . GLN A 1 28 ? -10.353 7.558 1.744 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 17 -ATOM 26002 C CG . GLN A 1 28 ? -10.917 8.808 2.418 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 17 -ATOM 26003 C CD . GLN A 1 28 ? -11.724 9.726 1.490 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 17 -ATOM 26004 O OE1 . GLN A 1 28 ? -11.716 10.947 1.668 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 17 -ATOM 26005 N NE2 . GLN A 1 28 ? -12.451 9.172 0.546 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 17 -ATOM 26006 H H . GLN A 1 28 ? -10.915 6.913 -0.662 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 17 -ATOM 26007 H HA . GLN A 1 28 ? -9.329 8.941 0.481 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 17 -ATOM 26008 H HB2 . GLN A 1 28 ? -11.178 6.937 1.424 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 17 -ATOM 26009 H HB3 . GLN A 1 28 ? -9.765 7.016 2.470 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 17 -ATOM 26010 H HG2 . GLN A 1 28 ? -11.563 8.501 3.228 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 17 -ATOM 26011 H HG3 . GLN A 1 28 ? -10.091 9.371 2.826 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 17 -ATOM 26012 H HE21 . GLN A 1 28 ? -12.469 8.192 0.460 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 17 -ATOM 26013 H HE22 . GLN A 1 28 ? -12.958 9.762 -0.051 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 17 -ATOM 26014 N N . LEU A 1 29 ? -7.982 6.005 0.200 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 17 -ATOM 26015 C CA . LEU A 1 29 ? -6.703 5.313 0.180 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 17 -ATOM 26016 C C . LEU A 1 29 ? -5.763 5.963 -0.828 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 17 -ATOM 26017 O O . LEU A 1 29 ? -4.586 6.160 -0.546 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 17 -ATOM 26018 C CB . LEU A 1 29 ? -6.886 3.835 -0.144 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 17 -ATOM 26019 C CG . LEU A 1 29 ? -7.667 3.002 0.884 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 17 -ATOM 26020 C CD1 . LEU A 1 29 ? -7.794 1.574 0.415 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 17 -ATOM 26021 C CD2 . LEU A 1 29 ? -6.990 3.049 2.250 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 17 -ATOM 26022 H H . LEU A 1 29 ? -8.791 5.540 -0.107 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 17 -ATOM 26023 H HA . LEU A 1 29 ? -6.263 5.408 1.162 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 17 -ATOM 26024 H HB2 . LEU A 1 29 ? -7.406 3.787 -1.090 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 17 -ATOM 26025 H HB3 . LEU A 1 29 ? -5.909 3.396 -0.276 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 17 -ATOM 26026 H HG . LEU A 1 29 ? -8.667 3.398 0.985 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 17 -ATOM 26027 H HD11 . LEU A 1 29 ? -6.809 1.146 0.296 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 17 -ATOM 26028 H HD12 . LEU A 1 29 ? -8.316 1.550 -0.531 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 17 -ATOM 26029 H HD13 . LEU A 1 29 ? -8.349 1.001 1.143 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 17 -ATOM 26030 H HD21 . LEU A 1 29 ? -6.975 4.066 2.616 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 17 -ATOM 26031 H HD22 . LEU A 1 29 ? -5.977 2.686 2.162 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 17 -ATOM 26032 H HD23 . LEU A 1 29 ? -7.532 2.424 2.944 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 17 -ATOM 26033 N N . LYS A 1 30 ? -6.299 6.303 -1.996 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 17 -ATOM 26034 C CA . LYS A 1 30 ? -5.552 6.993 -3.044 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 17 -ATOM 26035 C C . LYS A 1 30 ? -4.977 8.306 -2.518 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 17 -ATOM 26036 O O . LYS A 1 30 ? -3.826 8.646 -2.797 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 17 -ATOM 26037 C CB . LYS A 1 30 ? -6.460 7.298 -4.222 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 17 -ATOM 26038 C CG . LYS A 1 30 ? -5.731 7.945 -5.384 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 17 -ATOM 26039 C CD . LYS A 1 30 ? -6.682 8.460 -6.445 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 17 -ATOM 26040 C CE . LYS A 1 30 ? -7.457 9.671 -5.958 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 17 -ATOM 26041 N NZ . LYS A 1 30 ? -8.351 10.198 -6.995 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 17 -ATOM 26042 H H . LYS A 1 30 ? -7.231 6.040 -2.184 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 17 -ATOM 26043 H HA . LYS A 1 30 ? -4.748 6.354 -3.374 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 17 -ATOM 26044 H HB2 . LYS A 1 30 ? -6.909 6.376 -4.560 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 17 -ATOM 26045 H HB3 . LYS A 1 30 ? -7.238 7.961 -3.880 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 17 -ATOM 26046 H HG2 . LYS A 1 30 ? -5.173 8.778 -4.982 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 17 -ATOM 26047 H HG3 . LYS A 1 30 ? -5.050 7.228 -5.816 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 17 -ATOM 26048 H HD2 . LYS A 1 30 ? -6.117 8.740 -7.321 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 17 -ATOM 26049 H HD3 . LYS A 1 30 ? -7.379 7.675 -6.701 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 17 -ATOM 26050 H HE2 . LYS A 1 30 ? -8.047 9.400 -5.096 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 17 -ATOM 26051 H HE3 . LYS A 1 30 ? -6.749 10.440 -5.682 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 17 -ATOM 26052 H HZ1 . LYS A 1 30 ? -9.078 9.510 -7.275 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 17 -ATOM 26053 H HZ2 . LYS A 1 30 ? -7.831 10.478 -7.850 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 17 -ATOM 26054 H HZ3 . LYS A 1 30 ? -8.845 11.050 -6.662 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 17 -ATOM 26055 N N . LYS A 1 31 ? -5.798 9.037 -1.769 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 17 -ATOM 26056 C CA . LYS A 1 31 ? -5.384 10.287 -1.141 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 17 -ATOM 26057 C C . LYS A 1 31 ? -4.183 10.058 -0.254 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 17 -ATOM 26058 O O . LYS A 1 31 ? -3.227 10.832 -0.283 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 17 -ATOM 26059 C CB . LYS A 1 31 ? -6.515 10.889 -0.312 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 17 -ATOM 26060 C CG . LYS A 1 31 ? -7.686 11.368 -1.112 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 17 -ATOM 26061 C CD . LYS A 1 31 ? -8.777 11.870 -0.198 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 17 -ATOM 26062 C CE . LYS A 1 31 ? -9.945 12.401 -0.984 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 17 -ATOM 26063 N NZ . LYS A 1 31 ? -9.581 13.580 -1.809 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 17 -ATOM 26064 H H . LYS A 1 31 ? -6.723 8.722 -1.666 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 17 -ATOM 26065 H HA . LYS A 1 31 ? -5.119 10.979 -1.925 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 17 -ATOM 26066 H HB2 . LYS A 1 31 ? -6.888 10.142 0.372 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 17 -ATOM 26067 H HB3 . LYS A 1 31 ? -6.132 11.725 0.254 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 17 -ATOM 26068 H HG2 . LYS A 1 31 ? -7.368 12.170 -1.762 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 17 -ATOM 26069 H HG3 . LYS A 1 31 ? -8.071 10.549 -1.702 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 17 -ATOM 26070 H HD2 . LYS A 1 31 ? -9.117 11.057 0.426 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 17 -ATOM 26071 H HD3 . LYS A 1 31 ? -8.384 12.659 0.425 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 17 -ATOM 26072 H HE2 . LYS A 1 31 ? -10.271 11.601 -1.632 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 17 -ATOM 26073 H HE3 . LYS A 1 31 ? -10.726 12.664 -0.289 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 17 -ATOM 26074 H HZ1 . LYS A 1 31 ? -8.893 13.341 -2.550 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 17 -ATOM 26075 H HZ2 . LYS A 1 31 ? -9.153 14.324 -1.218 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 17 -ATOM 26076 H HZ3 . LYS A 1 31 ? -10.421 14.000 -2.254 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 17 -ATOM 26077 N N . LYS A 1 32 ? -4.223 8.982 0.502 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 17 -ATOM 26078 C CA . LYS A 1 32 ? -3.132 8.628 1.383 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 17 -ATOM 26079 C C . LYS A 1 32 ? -1.880 8.285 0.587 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 17 -ATOM 26080 O O . LYS A 1 32 ? -0.783 8.658 0.967 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 17 -ATOM 26081 C CB . LYS A 1 32 ? -3.522 7.473 2.299 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 17 -ATOM 26082 C CG . LYS A 1 32 ? -4.744 7.736 3.172 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 17 -ATOM 26083 C CD . LYS A 1 32 ? -4.532 8.904 4.121 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 17 -ATOM 26084 C CE . LYS A 1 32 ? -5.758 9.123 4.987 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 17 -ATOM 26085 N NZ . LYS A 1 32 ? -5.568 10.225 5.957 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 17 -ATOM 26086 H H . LYS A 1 32 ? -5.021 8.412 0.459 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 17 -ATOM 26087 H HA . LYS A 1 32 ? -2.897 9.487 1.989 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 17 -ATOM 26088 H HB2 . LYS A 1 32 ? -3.723 6.601 1.693 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 17 -ATOM 26089 H HB3 . LYS A 1 32 ? -2.687 7.267 2.951 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 17 -ATOM 26090 H HG2 . LYS A 1 32 ? -5.588 7.958 2.536 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 17 -ATOM 26091 H HG3 . LYS A 1 32 ? -4.957 6.848 3.750 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 17 -ATOM 26092 H HD2 . LYS A 1 32 ? -3.683 8.695 4.755 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 17 -ATOM 26093 H HD3 . LYS A 1 32 ? -4.343 9.800 3.549 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 17 -ATOM 26094 H HE2 . LYS A 1 32 ? -6.605 9.343 4.354 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 17 -ATOM 26095 H HE3 . LYS A 1 32 ? -5.937 8.202 5.523 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 17 -ATOM 26096 H HZ1 . LYS A 1 32 ? -4.825 9.990 6.644 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 17 -ATOM 26097 H HZ2 . LYS A 1 32 ? -6.446 10.422 6.477 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 17 -ATOM 26098 H HZ3 . LYS A 1 32 ? -5.291 11.100 5.468 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 17 -ATOM 26099 N N . LEU A 1 33 ? -2.060 7.610 -0.535 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 17 -ATOM 26100 C CA . LEU A 1 33 ? -0.955 7.232 -1.394 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 17 -ATOM 26101 C C . LEU A 1 33 ? -0.277 8.449 -2.000 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 17 -ATOM 26102 O O . LEU A 1 33 ? 0.950 8.569 -1.965 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 17 -ATOM 26103 C CB . LEU A 1 33 ? -1.434 6.300 -2.507 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 17 -ATOM 26104 C CG . LEU A 1 33 ? -2.040 4.978 -2.056 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 17 -ATOM 26105 C CD1 . LEU A 1 33 ? -2.507 4.175 -3.250 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 17 -ATOM 26106 C CD2 . LEU A 1 33 ? -1.037 4.192 -1.233 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 17 -ATOM 26107 H H . LEU A 1 33 ? -2.966 7.339 -0.794 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 17 -ATOM 26108 H HA . LEU A 1 33 ? -0.234 6.700 -0.792 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 17 -ATOM 26109 H HB2 . LEU A 1 33 ? -2.174 6.830 -3.089 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 17 -ATOM 26110 H HB3 . LEU A 1 33 ? -0.593 6.081 -3.147 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 17 -ATOM 26111 H HG . LEU A 1 33 ? -2.901 5.182 -1.435 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 17 -ATOM 26112 H HD11 . LEU A 1 33 ? -2.931 3.240 -2.915 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 17 -ATOM 26113 H HD12 . LEU A 1 33 ? -1.669 3.979 -3.902 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 17 -ATOM 26114 H HD13 . LEU A 1 33 ? -3.256 4.736 -3.788 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 17 -ATOM 26115 H HD21 . LEU A 1 33 ? -1.463 3.241 -0.955 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 17 -ATOM 26116 H HD22 . LEU A 1 33 ? -0.816 4.757 -0.340 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 17 -ATOM 26117 H HD23 . LEU A 1 33 ? -0.132 4.041 -1.803 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 17 -ATOM 26118 N N . VAL A 1 34 ? -1.067 9.366 -2.523 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 17 -ATOM 26119 C CA . VAL A 1 34 ? -0.509 10.532 -3.170 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 17 -ATOM 26120 C C . VAL A 1 34 ? 0.228 11.436 -2.162 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 17 -ATOM 26121 O O . VAL A 1 34 ? 1.314 11.939 -2.456 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 17 -ATOM 26122 C CB . VAL A 1 34 ? -1.562 11.322 -4.028 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 17 -ATOM 26123 C CG1 . VAL A 1 34 ? -2.675 11.926 -3.191 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 17 -ATOM 26124 C CG2 . VAL A 1 34 ? -0.894 12.382 -4.890 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 17 -ATOM 26125 H H . VAL A 1 34 ? -2.041 9.237 -2.474 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 17 -ATOM 26126 H HA . VAL A 1 34 ? 0.252 10.145 -3.834 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 17 -ATOM 26127 H HB . VAL A 1 34 ? -2.030 10.606 -4.690 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 17 -ATOM 26128 H HG11 . VAL A 1 34 ? -3.179 11.137 -2.652 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 17 -ATOM 26129 H HG12 . VAL A 1 34 ? -3.379 12.431 -3.835 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 17 -ATOM 26130 H HG13 . VAL A 1 34 ? -2.254 12.629 -2.489 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 17 -ATOM 26131 H HG21 . VAL A 1 34 ? -0.187 11.913 -5.558 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 17 -ATOM 26132 H HG22 . VAL A 1 34 ? -0.383 13.091 -4.257 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 17 -ATOM 26133 H HG23 . VAL A 1 34 ? -1.653 12.890 -5.467 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 17 -ATOM 26134 N N . GLU A 1 35 ? -0.344 11.622 -0.973 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 17 -ATOM 26135 C CA . GLU A 1 35 ? 0.312 12.427 0.051 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 17 -ATOM 26136 C C . GLU A 1 35 ? 1.553 11.729 0.610 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 17 -ATOM 26137 O O . GLU A 1 35 ? 2.564 12.366 0.867 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 17 -ATOM 26138 C CB . GLU A 1 35 ? -0.639 12.839 1.184 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 17 -ATOM 26139 C CG . GLU A 1 35 ? -1.211 11.689 1.985 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 17 -ATOM 26140 C CD . GLU A 1 35 ? -2.106 12.142 3.093 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 17 -ATOM 26141 O OE1 . GLU A 1 35 ? -1.600 12.430 4.196 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 17 -ATOM 26142 O OE2 . GLU A 1 35 ? -3.323 12.225 2.888 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 17 -ATOM 26143 H H . GLU A 1 35 ? -1.216 11.211 -0.784 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 17 -ATOM 26144 H HA . GLU A 1 35 ? 0.657 13.319 -0.452 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 17 -ATOM 26145 H HB2 . GLU A 1 35 ? -0.106 13.484 1.865 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 17 -ATOM 26146 H HB3 . GLU A 1 35 ? -1.458 13.396 0.754 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 17 -ATOM 26147 H HG2 . GLU A 1 35 ? -1.780 11.065 1.312 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 17 -ATOM 26148 H HG3 . GLU A 1 35 ? -0.395 11.114 2.398 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 17 -ATOM 26149 N N . VAL A 1 36 ? 1.476 10.411 0.765 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 17 -ATOM 26150 C CA . VAL A 1 36 ? 2.556 9.652 1.359 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 17 -ATOM 26151 C C . VAL A 1 36 ? 3.817 9.709 0.498 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 17 -ATOM 26152 O O . VAL A 1 36 ? 4.897 9.662 1.008 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 17 -ATOM 26153 C CB . VAL A 1 36 ? 2.168 8.186 1.748 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 17 -ATOM 26154 C CG1 . VAL A 1 36 ? 2.222 7.213 0.577 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 17 -ATOM 26155 C CG2 . VAL A 1 36 ? 2.991 7.697 2.927 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 17 -ATOM 26156 H H . VAL A 1 36 ? 0.663 9.932 0.487 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 17 -ATOM 26157 H HA . VAL A 1 36 ? 2.799 10.192 2.264 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 17 -ATOM 26158 H HB . VAL A 1 36 ? 1.136 8.221 2.065 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 17 -ATOM 26159 H HG11 . VAL A 1 36 ? 1.911 6.233 0.904 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 17 -ATOM 26160 H HG12 . VAL A 1 36 ? 3.236 7.163 0.205 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 17 -ATOM 26161 H HG13 . VAL A 1 36 ? 1.572 7.560 -0.213 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 17 -ATOM 26162 H HG21 . VAL A 1 36 ? 2.698 6.689 3.179 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 17 -ATOM 26163 H HG22 . VAL A 1 36 ? 2.832 8.345 3.776 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 17 -ATOM 26164 H HG23 . VAL A 1 36 ? 4.032 7.709 2.648 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 17 -ATOM 26165 N N . LEU A 1 37 ? 3.643 9.837 -0.815 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 17 -ATOM 26166 C CA . LEU A 1 37 ? 4.756 9.895 -1.773 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 17 -ATOM 26167 C C . LEU A 1 37 ? 5.796 10.987 -1.458 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 17 -ATOM 26168 O O . LEU A 1 37 ? 6.957 10.839 -1.838 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 17 -ATOM 26169 C CB . LEU A 1 37 ? 4.234 10.117 -3.200 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 17 -ATOM 26170 C CG . LEU A 1 37 ? 3.427 8.981 -3.824 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 17 -ATOM 26171 C CD1 . LEU A 1 37 ? 2.884 9.403 -5.178 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 17 -ATOM 26172 C CD2 . LEU A 1 37 ? 4.287 7.740 -3.972 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 17 -ATOM 26173 H H . LEU A 1 37 ? 2.723 9.862 -1.154 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 17 -ATOM 26174 H HA . LEU A 1 37 ? 5.255 8.939 -1.753 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 17 -ATOM 26175 H HB2 . LEU A 1 37 ? 3.608 10.996 -3.187 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 17 -ATOM 26176 H HB3 . LEU A 1 37 ? 5.084 10.317 -3.836 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 17 -ATOM 26177 H HG . LEU A 1 37 ? 2.591 8.742 -3.185 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 17 -ATOM 26178 H HD11 . LEU A 1 37 ? 2.242 10.264 -5.057 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 17 -ATOM 26179 H HD12 . LEU A 1 37 ? 2.319 8.592 -5.611 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 17 -ATOM 26180 H HD13 . LEU A 1 37 ? 3.705 9.659 -5.829 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 17 -ATOM 26181 H HD21 . LEU A 1 37 ? 3.730 6.972 -4.487 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 17 -ATOM 26182 H HD22 . LEU A 1 37 ? 4.574 7.375 -2.998 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 17 -ATOM 26183 H HD23 . LEU A 1 37 ? 5.170 7.982 -4.543 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 17 -ATOM 26184 N N . GLU A 1 38 ? 5.404 12.067 -0.774 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 17 -ATOM 26185 C CA . GLU A 1 38 ? 6.372 13.115 -0.472 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 17 -ATOM 26186 C C . GLU A 1 38 ? 7.251 12.768 0.739 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 17 -ATOM 26187 O O . GLU A 1 38 ? 8.416 13.172 0.820 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 17 -ATOM 26188 C CB . GLU A 1 38 ? 5.710 14.505 -0.385 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 17 -ATOM 26189 C CG . GLU A 1 38 ? 4.539 14.649 0.586 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 17 -ATOM 26190 C CD . GLU A 1 38 ? 4.932 14.652 2.039 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 17 -ATOM 26191 O OE1 . GLU A 1 38 ? 5.861 15.392 2.416 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 17 -ATOM 26192 O OE2 . GLU A 1 38 ? 4.316 13.914 2.837 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 17 -ATOM 26193 H H . GLU A 1 38 ? 4.475 12.157 -0.466 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 17 -ATOM 26194 H HA . GLU A 1 38 ? 7.043 13.110 -1.320 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 17 -ATOM 26195 H HB2 . GLU A 1 38 ? 6.463 15.221 -0.091 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 17 -ATOM 26196 H HB3 . GLU A 1 38 ? 5.364 14.770 -1.373 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 17 -ATOM 26197 H HG2 . GLU A 1 38 ? 3.992 15.552 0.370 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 17 -ATOM 26198 H HG3 . GLU A 1 38 ? 3.878 13.806 0.433 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 17 -ATOM 26199 N N . SER A 1 39 ? 6.700 12.005 1.644 1.00 0.00 ? ? ? ? ? ? 36 SER A N 17 -ATOM 26200 C CA . SER A 1 39 ? 7.410 11.536 2.809 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 17 -ATOM 26201 C C . SER A 1 39 ? 6.963 10.111 3.113 1.00 0.00 ? ? ? ? ? ? 36 SER A C 17 -ATOM 26202 O O . SER A 1 39 ? 6.169 9.893 4.010 1.00 0.00 ? ? ? ? ? ? 36 SER A O 17 -ATOM 26203 C CB . SER A 1 39 ? 7.159 12.451 4.031 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 17 -ATOM 26204 O OG . SER A 1 39 ? 7.553 13.808 3.784 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 17 -ATOM 26205 H H . SER A 1 39 ? 5.774 11.706 1.521 1.00 0.00 ? ? ? ? ? ? 36 SER A H 17 -ATOM 26206 H HA . SER A 1 39 ? 8.468 11.500 2.598 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 17 -ATOM 26207 H HB2 . SER A 1 39 ? 6.104 12.441 4.266 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 17 -ATOM 26208 H HB3 . SER A 1 39 ? 7.718 12.074 4.875 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 17 -ATOM 26209 H HG . SER A 1 39 ? 6.902 14.197 3.174 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 17 -ATOM 26210 N N . PRO A 1 40 ? 7.381 9.119 2.293 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 17 -ATOM 26211 C CA . PRO A 1 40 ? 6.977 7.736 2.503 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 17 -ATOM 26212 C C . PRO A 1 40 ? 7.676 7.111 3.682 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 17 -ATOM 26213 O O . PRO A 1 40 ? 7.131 6.246 4.335 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 17 -ATOM 26214 C CB . PRO A 1 40 ? 7.358 7.038 1.199 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 17 -ATOM 26215 C CG . PRO A 1 40 ? 8.467 7.855 0.658 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 17 -ATOM 26216 C CD . PRO A 1 40 ? 8.172 9.274 1.053 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 17 -ATOM 26217 H HA . PRO A 1 40 ? 5.914 7.662 2.659 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 17 -ATOM 26218 H HB2 . PRO A 1 40 ? 7.666 6.023 1.401 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 17 -ATOM 26219 H HB3 . PRO A 1 40 ? 6.509 7.038 0.531 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 17 -ATOM 26220 H HG2 . PRO A 1 40 ? 9.402 7.532 1.096 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 17 -ATOM 26221 H HG3 . PRO A 1 40 ? 8.507 7.763 -0.417 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 17 -ATOM 26222 H HD2 . PRO A 1 40 ? 9.081 9.830 1.232 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 17 -ATOM 26223 H HD3 . PRO A 1 40 ? 7.568 9.749 0.291 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 17 -ATOM 26224 N N . ARG A 1 41 ? 8.866 7.595 3.975 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 17 -ATOM 26225 C CA . ARG A 1 41 ? 9.662 7.084 5.078 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 17 -ATOM 26226 C C . ARG A 1 41 ? 9.233 7.617 6.438 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 17 -ATOM 26227 O O . ARG A 1 41 ? 9.929 8.406 7.073 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 17 -ATOM 26228 C CB . ARG A 1 41 ? 11.188 7.197 4.828 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 17 -ATOM 26229 C CG . ARG A 1 41 ? 11.618 8.352 3.919 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 17 -ATOM 26230 C CD . ARG A 1 41 ? 11.271 9.732 4.459 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 17 -ATOM 26231 N NE . ARG A 1 41 ? 11.523 10.739 3.437 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 17 -ATOM 26232 C CZ . ARG A 1 41 ? 11.094 12.001 3.431 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 17 -ATOM 26233 N NH1 . ARG A 1 41 ? 10.496 12.520 4.498 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 17 -ATOM 26234 N NH2 . ARG A 1 41 ? 11.300 12.750 2.353 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 17 -ATOM 26235 H H . ARG A 1 41 ? 9.191 8.336 3.426 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 17 -ATOM 26236 H HA . ARG A 1 41 ? 9.416 6.031 5.109 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 17 -ATOM 26237 H HB2 . ARG A 1 41 ? 11.678 7.328 5.781 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 17 -ATOM 26238 H HB3 . ARG A 1 41 ? 11.532 6.272 4.391 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 17 -ATOM 26239 H HG2 . ARG A 1 41 ? 12.686 8.306 3.774 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 17 -ATOM 26240 H HG3 . ARG A 1 41 ? 11.134 8.222 2.962 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 17 -ATOM 26241 H HD2 . ARG A 1 41 ? 10.226 9.751 4.730 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 17 -ATOM 26242 H HD3 . ARG A 1 41 ? 11.879 9.946 5.326 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 17 -ATOM 26243 H HE . ARG A 1 41 ? 12.027 10.411 2.657 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 17 -ATOM 26244 H HH11 . ARG A 1 41 ? 10.340 12.006 5.346 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 17 -ATOM 26245 H HH12 . ARG A 1 41 ? 10.173 13.468 4.496 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 17 -ATOM 26246 H HH21 . ARG A 1 41 ? 11.776 12.373 1.552 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 17 -ATOM 26247 H HH22 . ARG A 1 41 ? 10.978 13.699 2.285 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 17 -ATOM 26248 N N . ILE A 1 42 ? 8.049 7.234 6.816 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 17 -ATOM 26249 C CA . ILE A 1 42 ? 7.479 7.546 8.105 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 17 -ATOM 26250 C C . ILE A 1 42 ? 7.565 6.289 8.960 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 17 -ATOM 26251 O O . ILE A 1 42 ? 6.922 5.279 8.645 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 17 -ATOM 26252 C CB . ILE A 1 42 ? 5.988 7.979 7.964 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 17 -ATOM 26253 C CG1 . ILE A 1 42 ? 5.878 9.205 7.049 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 17 -ATOM 26254 C CG2 . ILE A 1 42 ? 5.380 8.283 9.333 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 17 -ATOM 26255 C CD1 . ILE A 1 42 ? 4.455 9.630 6.733 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 17 -ATOM 26256 H H . ILE A 1 42 ? 7.527 6.710 6.166 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 17 -ATOM 26257 H HA . ILE A 1 42 ? 8.051 8.343 8.557 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 17 -ATOM 26258 H HB . ILE A 1 42 ? 5.438 7.162 7.521 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 17 -ATOM 26259 H HG12 . ILE A 1 42 ? 6.369 10.042 7.523 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 17 -ATOM 26260 H HG13 . ILE A 1 42 ? 6.377 8.990 6.116 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 17 -ATOM 26261 H HG21 . ILE A 1 42 ? 5.452 7.408 9.961 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 17 -ATOM 26262 H HG22 . ILE A 1 42 ? 4.342 8.555 9.211 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 17 -ATOM 26263 H HG23 . ILE A 1 42 ? 5.916 9.102 9.789 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 17 -ATOM 26264 H HD11 . ILE A 1 42 ? 3.938 9.871 7.648 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 17 -ATOM 26265 H HD12 . ILE A 1 42 ? 3.942 8.824 6.230 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 17 -ATOM 26266 H HD13 . ILE A 1 42 ? 4.471 10.497 6.088 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 17 -ATOM 26267 N N . GLU A 1 43 ? 8.349 6.344 10.033 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 17 -ATOM 26268 C CA . GLU A 1 43 ? 8.578 5.174 10.897 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 17 -ATOM 26269 C C . GLU A 1 43 ? 7.277 4.642 11.508 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 17 -ATOM 26270 O O . GLU A 1 43 ? 7.132 3.447 11.735 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 17 -ATOM 26271 C CB . GLU A 1 43 ? 9.587 5.487 12.000 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 17 -ATOM 26272 C CG . GLU A 1 43 ? 9.159 6.595 12.934 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 17 -ATOM 26273 C CD . GLU A 1 43 ? 10.111 6.775 14.067 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 17 -ATOM 26274 O OE1 . GLU A 1 43 ? 9.965 6.088 15.094 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 17 -ATOM 26275 O OE2 . GLU A 1 43 ? 11.022 7.608 13.962 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 17 -ATOM 26276 H H . GLU A 1 43 ? 8.792 7.193 10.252 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 17 -ATOM 26277 H HA . GLU A 1 43 ? 8.994 4.403 10.267 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 17 -ATOM 26278 H HB2 . GLU A 1 43 ? 9.747 4.595 12.589 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 17 -ATOM 26279 H HB3 . GLU A 1 43 ? 10.522 5.771 11.541 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 17 -ATOM 26280 H HG2 . GLU A 1 43 ? 9.111 7.519 12.376 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 17 -ATOM 26281 H HG3 . GLU A 1 43 ? 8.182 6.360 13.328 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 17 -ATOM 26282 N N . ALA A 1 44 ? 6.318 5.536 11.696 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 17 -ATOM 26283 C CA . ALA A 1 44 ? 5.038 5.203 12.306 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 17 -ATOM 26284 C C . ALA A 1 44 ? 4.218 4.234 11.450 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 17 -ATOM 26285 O O . ALA A 1 44 ? 3.302 3.564 11.948 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 17 -ATOM 26286 C CB . ALA A 1 44 ? 4.245 6.472 12.570 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 17 -ATOM 26287 H H . ALA A 1 44 ? 6.497 6.459 11.419 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 17 -ATOM 26288 H HA . ALA A 1 44 ? 5.242 4.736 13.258 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 17 -ATOM 26289 H HB1 . ALA A 1 44 ? 4.000 6.944 11.630 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 17 -ATOM 26290 H HB2 . ALA A 1 44 ? 4.835 7.151 13.166 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 17 -ATOM 26291 H HB3 . ALA A 1 44 ? 3.334 6.225 13.095 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 17 -ATOM 26292 N N . ASN A 1 45 ? 4.541 4.139 10.180 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 17 -ATOM 26293 C CA . ASN A 1 45 ? 3.792 3.263 9.296 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 17 -ATOM 26294 C C . ASN A 1 45 ? 4.576 2.029 8.925 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 17 -ATOM 26295 O O . ASN A 1 45 ? 4.052 1.156 8.236 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 17 -ATOM 26296 C CB . ASN A 1 45 ? 3.316 3.984 8.024 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 17 -ATOM 26297 C CG . ASN A 1 45 ? 2.243 5.019 8.277 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 17 -ATOM 26298 O OD1 . ASN A 1 45 ? 1.458 4.910 9.217 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 17 -ATOM 26299 N ND2 . ASN A 1 45 ? 2.185 6.022 7.437 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 17 -ATOM 26300 H H . ASN A 1 45 ? 5.304 4.649 9.830 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 17 -ATOM 26301 H HA . ASN A 1 45 ? 2.919 2.943 9.845 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 17 -ATOM 26302 H HB2 . ASN A 1 45 ? 4.155 4.497 7.579 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 17 -ATOM 26303 H HB3 . ASN A 1 45 ? 2.932 3.254 7.326 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 17 -ATOM 26304 H HD21 . ASN A 1 45 ? 2.826 6.058 6.698 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 17 -ATOM 26305 H HD22 . ASN A 1 45 ? 1.480 6.690 7.578 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 17 -ATOM 26306 N N . LYS A 1 46 ? 5.814 1.931 9.396 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 17 -ATOM 26307 C CA . LYS A 1 46 ? 6.658 0.810 9.017 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 17 -ATOM 26308 C C . LYS A 1 46 ? 6.268 -0.452 9.728 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 17 -ATOM 26309 O O . LYS A 1 46 ? 5.908 -0.451 10.933 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 17 -ATOM 26310 C CB . LYS A 1 46 ? 8.164 1.070 9.220 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 17 -ATOM 26311 C CG . LYS A 1 46 ? 8.666 2.294 8.503 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 17 -ATOM 26312 C CD . LYS A 1 46 ? 10.189 2.370 8.383 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 17 -ATOM 26313 C CE . LYS A 1 46 ? 10.707 1.429 7.287 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 17 -ATOM 26314 N NZ . LYS A 1 46 ? 12.150 1.613 7.014 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 17 -ATOM 26315 H H . LYS A 1 46 ? 6.150 2.599 10.030 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 17 -ATOM 26316 H HA . LYS A 1 46 ? 6.487 0.648 7.963 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 17 -ATOM 26317 H HB2 . LYS A 1 46 ? 8.351 1.200 10.276 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 17 -ATOM 26318 H HB3 . LYS A 1 46 ? 8.717 0.211 8.869 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 17 -ATOM 26319 H HG2 . LYS A 1 46 ? 8.263 2.253 7.502 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 17 -ATOM 26320 H HG3 . LYS A 1 46 ? 8.287 3.175 8.995 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 17 -ATOM 26321 H HD2 . LYS A 1 46 ? 10.470 3.384 8.140 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 17 -ATOM 26322 H HD3 . LYS A 1 46 ? 10.630 2.089 9.328 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 17 -ATOM 26323 H HE2 . LYS A 1 46 ? 10.543 0.409 7.598 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 17 -ATOM 26324 H HE3 . LYS A 1 46 ? 10.150 1.617 6.380 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 17 -ATOM 26325 H HZ1 . LYS A 1 46 ? 12.427 1.144 6.122 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 17 -ATOM 26326 H HZ2 . LYS A 1 46 ? 12.725 1.193 7.771 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 17 -ATOM 26327 H HZ3 . LYS A 1 46 ? 12.396 2.620 6.939 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 17 -ATOM 26328 N N . LEU A 1 47 ? 6.305 -1.512 8.983 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 17 -ATOM 26329 C CA . LEU A 1 47 ? 6.075 -2.816 9.494 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 17 -ATOM 26330 C C . LEU A 1 47 ? 7.332 -3.289 10.204 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 17 -ATOM 26331 O O . LEU A 1 47 ? 8.443 -2.909 9.823 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 17 -ATOM 26332 C CB . LEU A 1 47 ? 5.671 -3.756 8.364 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 17 -ATOM 26333 C CG . LEU A 1 47 ? 4.321 -3.455 7.707 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 17 -ATOM 26334 C CD1 . LEU A 1 47 ? 4.051 -4.403 6.563 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 17 -ATOM 26335 C CD2 . LEU A 1 47 ? 3.209 -3.561 8.720 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 17 -ATOM 26336 H H . LEU A 1 47 ? 6.501 -1.397 8.026 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 17 -ATOM 26337 H HA . LEU A 1 47 ? 5.267 -2.752 10.208 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 17 -ATOM 26338 H HB2 . LEU A 1 47 ? 6.426 -3.668 7.598 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 17 -ATOM 26339 H HB3 . LEU A 1 47 ? 5.659 -4.771 8.730 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 17 -ATOM 26340 H HG . LEU A 1 47 ? 4.324 -2.447 7.320 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 17 -ATOM 26341 H HD11 . LEU A 1 47 ? 4.837 -4.335 5.827 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 17 -ATOM 26342 H HD12 . LEU A 1 47 ? 3.110 -4.130 6.108 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 17 -ATOM 26343 H HD13 . LEU A 1 47 ? 3.983 -5.413 6.939 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 17 -ATOM 26344 H HD21 . LEU A 1 47 ? 3.209 -4.551 9.154 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 17 -ATOM 26345 H HD22 . LEU A 1 47 ? 2.272 -3.397 8.212 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 17 -ATOM 26346 H HD23 . LEU A 1 47 ? 3.336 -2.819 9.494 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 17 -ATOM 26347 N N . ARG A 1 48 ? 7.141 -4.109 11.209 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 17 -ATOM 26348 C CA . ARG A 1 48 ? 8.197 -4.549 12.106 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 17 -ATOM 26349 C C . ARG A 1 48 ? 9.286 -5.313 11.370 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 17 -ATOM 26350 O O . ARG A 1 48 ? 10.433 -4.864 11.282 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 17 -ATOM 26351 C CB . ARG A 1 48 ? 7.598 -5.448 13.175 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 17 -ATOM 26352 C CG . ARG A 1 48 ? 6.491 -4.814 13.983 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 17 -ATOM 26353 C CD . ARG A 1 48 ? 5.876 -5.833 14.906 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 17 -ATOM 26354 N NE . ARG A 1 48 ? 4.760 -5.291 15.673 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 17 -ATOM 26355 C CZ . ARG A 1 48 ? 3.835 -6.033 16.293 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 17 -ATOM 26356 N NH1 . ARG A 1 48 ? 3.868 -7.366 16.210 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 17 -ATOM 26357 N NH2 . ARG A 1 48 ? 2.888 -5.446 16.999 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 17 -ATOM 26358 H H . ARG A 1 48 ? 6.241 -4.468 11.350 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 17 -ATOM 26359 H HA . ARG A 1 48 ? 8.622 -3.685 12.593 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 17 -ATOM 26360 H HB2 . ARG A 1 48 ? 7.202 -6.334 12.701 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 17 -ATOM 26361 H HB3 . ARG A 1 48 ? 8.383 -5.742 13.851 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 17 -ATOM 26362 H HG2 . ARG A 1 48 ? 6.897 -4.002 14.569 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 17 -ATOM 26363 H HG3 . ARG A 1 48 ? 5.732 -4.437 13.315 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 17 -ATOM 26364 H HD2 . ARG A 1 48 ? 5.513 -6.657 14.310 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 17 -ATOM 26365 H HD3 . ARG A 1 48 ? 6.637 -6.188 15.587 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 17 -ATOM 26366 H HE . ARG A 1 48 ? 4.734 -4.306 15.725 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 17 -ATOM 26367 H HH11 . ARG A 1 48 ? 4.576 -7.853 15.691 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 17 -ATOM 26368 H HH12 . ARG A 1 48 ? 3.184 -7.929 16.678 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 17 -ATOM 26369 H HH21 . ARG A 1 48 ? 2.840 -4.449 17.098 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 17 -ATOM 26370 H HH22 . ARG A 1 48 ? 2.170 -5.972 17.463 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 17 -ATOM 26371 N N . GLY A 1 49 ? 8.925 -6.450 10.838 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 17 -ATOM 26372 C CA . GLY A 1 49 ? 9.885 -7.280 10.174 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 17 -ATOM 26373 C C . GLY A 1 49 ? 9.590 -7.399 8.724 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 17 -ATOM 26374 O O . GLY A 1 49 ? 9.311 -8.486 8.233 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 17 -ATOM 26375 H H . GLY A 1 49 ? 7.985 -6.721 10.888 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 17 -ATOM 26376 H HA2 . GLY A 1 49 ? 10.865 -6.846 10.297 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 17 -ATOM 26377 H HA3 . GLY A 1 49 ? 9.873 -8.264 10.620 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 17 -ATOM 26378 N N . MET A 1 50 ? 9.613 -6.287 8.038 1.00 0.00 ? ? ? ? ? ? 47 MET A N 17 -ATOM 26379 C CA . MET A 1 50 ? 9.337 -6.244 6.615 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 17 -ATOM 26380 C C . MET A 1 50 ? 10.274 -5.247 5.953 1.00 0.00 ? ? ? ? ? ? 47 MET A C 17 -ATOM 26381 O O . MET A 1 50 ? 10.558 -4.186 6.538 1.00 0.00 ? ? ? ? ? ? 47 MET A O 17 -ATOM 26382 C CB . MET A 1 50 ? 7.881 -5.837 6.347 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 17 -ATOM 26383 C CG . MET A 1 50 ? 6.817 -6.829 6.819 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 17 -ATOM 26384 S SD . MET A 1 50 ? 6.863 -8.412 5.950 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 17 -ATOM 26385 C CE . MET A 1 50 ? 6.488 -7.897 4.271 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 17 -ATOM 26386 H H . MET A 1 50 ? 9.855 -5.449 8.490 1.00 0.00 ? ? ? ? ? ? 47 MET A H 17 -ATOM 26387 H HA . MET A 1 50 ? 9.514 -7.228 6.208 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 17 -ATOM 26388 H HB2 . MET A 1 50 ? 7.715 -4.900 6.855 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 17 -ATOM 26389 H HB3 . MET A 1 50 ? 7.758 -5.675 5.286 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 17 -ATOM 26390 H HG2 . MET A 1 50 ? 6.969 -7.019 7.871 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 17 -ATOM 26391 H HG3 . MET A 1 50 ? 5.844 -6.383 6.676 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 17 -ATOM 26392 H HE1 . MET A 1 50 ? 7.231 -7.194 3.925 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 17 -ATOM 26393 H HE2 . MET A 1 50 ? 5.513 -7.434 4.249 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 17 -ATOM 26394 H HE3 . MET A 1 50 ? 6.484 -8.763 3.627 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 17 -ATOM 26395 N N . PRO A 1 51 ? 10.776 -5.563 4.747 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 17 -ATOM 26396 C CA . PRO A 1 51 ? 11.702 -4.691 4.013 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 17 -ATOM 26397 C C . PRO A 1 51 ? 11.031 -3.406 3.502 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 17 -ATOM 26398 O O . PRO A 1 51 ? 10.345 -3.414 2.462 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 17 -ATOM 26399 C CB . PRO A 1 51 ? 12.177 -5.565 2.847 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 17 -ATOM 26400 C CG . PRO A 1 51 ? 11.091 -6.567 2.648 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 17 -ATOM 26401 C CD . PRO A 1 51 ? 10.494 -6.812 4.003 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 17 -ATOM 26402 H HA . PRO A 1 51 ? 12.543 -4.419 4.633 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 17 -ATOM 26403 H HB2 . PRO A 1 51 ? 12.322 -4.955 1.967 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 17 -ATOM 26404 H HB3 . PRO A 1 51 ? 13.103 -6.047 3.118 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 17 -ATOM 26405 H HG2 . PRO A 1 51 ? 10.342 -6.174 1.976 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 17 -ATOM 26406 H HG3 . PRO A 1 51 ? 11.506 -7.483 2.255 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 17 -ATOM 26407 H HD2 . PRO A 1 51 ? 9.430 -6.977 3.922 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 17 -ATOM 26408 H HD3 . PRO A 1 51 ? 10.969 -7.657 4.479 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 17 -ATOM 26409 N N . ASP A 1 52 ? 11.177 -2.330 4.296 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 17 -ATOM 26410 C CA . ASP A 1 52 ? 10.625 -0.988 4.008 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 17 -ATOM 26411 C C . ASP A 1 52 ? 9.173 -1.045 3.606 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 17 -ATOM 26412 O O . ASP A 1 52 ? 8.743 -0.393 2.654 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 17 -ATOM 26413 C CB . ASP A 1 52 ? 11.447 -0.203 2.964 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 17 -ATOM 26414 C CG . ASP A 1 52 ? 12.799 0.249 3.477 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 17 -ATOM 26415 O OD1 . ASP A 1 52 ? 12.857 1.025 4.466 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 17 -ATOM 26416 O OD2 . ASP A 1 52 ? 13.834 -0.131 2.884 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 17 -ATOM 26417 H H . ASP A 1 52 ? 11.680 -2.453 5.129 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 17 -ATOM 26418 H HA . ASP A 1 52 ? 10.665 -0.450 4.944 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 17 -ATOM 26419 H HB2 . ASP A 1 52 ? 11.601 -0.827 2.096 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 17 -ATOM 26420 H HB3 . ASP A 1 52 ? 10.884 0.669 2.666 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 17 -ATOM 26421 N N . CYS A 1 53 ? 8.415 -1.816 4.327 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 17 -ATOM 26422 C CA . CYS A 1 53 ? 7.022 -1.942 4.040 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 17 -ATOM 26423 C C . CYS A 1 53 ? 6.241 -1.085 5.002 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 17 -ATOM 26424 O O . CYS A 1 53 ? 6.597 -0.979 6.187 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 17 -ATOM 26425 C CB . CYS A 1 53 ? 6.588 -3.394 4.121 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 17 -ATOM 26426 S SG . CYS A 1 53 ? 7.534 -4.509 3.052 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 17 -ATOM 26427 H H . CYS A 1 53 ? 8.802 -2.295 5.087 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 17 -ATOM 26428 H HA . CYS A 1 53 ? 6.850 -1.574 3.042 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 17 -ATOM 26429 H HB2 . CYS A 1 53 ? 6.714 -3.734 5.138 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 17 -ATOM 26430 H HB3 . CYS A 1 53 ? 5.548 -3.468 3.841 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 17 -ATOM 26431 H HG . CYS A 1 53 ? 8.631 -3.868 2.660 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 17 -ATOM 26432 N N . TYR A 1 54 ? 5.206 -0.477 4.511 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 17 -ATOM 26433 C CA . TYR A 1 54 ? 4.408 0.430 5.287 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 17 -ATOM 26434 C C . TYR A 1 54 ? 2.962 0.066 5.124 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 17 -ATOM 26435 O O . TYR A 1 54 ? 2.578 -0.570 4.124 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 17 -ATOM 26436 C CB . TYR A 1 54 ? 4.608 1.891 4.829 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 17 -ATOM 26437 C CG . TYR A 1 54 ? 6.031 2.416 4.885 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 17 -ATOM 26438 C CD1 . TYR A 1 54 ? 6.985 2.009 3.968 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 17 -ATOM 26439 C CD2 . TYR A 1 54 ? 6.411 3.326 5.842 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 17 -ATOM 26440 C CE1 . TYR A 1 54 ? 8.273 2.484 4.014 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 17 -ATOM 26441 C CE2 . TYR A 1 54 ? 7.697 3.809 5.888 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 17 -ATOM 26442 C CZ . TYR A 1 54 ? 8.623 3.381 4.973 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 17 -ATOM 26443 O OH . TYR A 1 54 ? 9.913 3.852 5.030 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 17 -ATOM 26444 H H . TYR A 1 54 ? 4.936 -0.655 3.579 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 17 -ATOM 26445 H HA . TYR A 1 54 ? 4.694 0.346 6.325 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 17 -ATOM 26446 H HB2 . TYR A 1 54 ? 4.259 2.003 3.813 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 17 -ATOM 26447 H HB3 . TYR A 1 54 ? 4.008 2.517 5.476 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 17 -ATOM 26448 H HD1 . TYR A 1 54 ? 6.706 1.294 3.209 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 17 -ATOM 26449 H HD2 . TYR A 1 54 ? 5.685 3.663 6.567 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 17 -ATOM 26450 H HE1 . TYR A 1 54 ? 9.000 2.150 3.289 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 17 -ATOM 26451 H HE2 . TYR A 1 54 ? 7.975 4.523 6.651 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 17 -ATOM 26452 H HH . TYR A 1 54 ? 10.222 4.018 4.133 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 17 -ATOM 26453 N N . LYS A 1 55 ? 2.175 0.447 6.081 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 17 -ATOM 26454 C CA . LYS A 1 55 ? 0.767 0.193 6.054 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 17 -ATOM 26455 C C . LYS A 1 55 ? -0.009 1.486 6.244 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 17 -ATOM 26456 O O . LYS A 1 55 ? 0.364 2.342 7.049 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 17 -ATOM 26457 C CB . LYS A 1 55 ? 0.390 -0.830 7.145 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 17 -ATOM 26458 C CG . LYS A 1 55 ? 0.903 -0.463 8.536 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 17 -ATOM 26459 C CD . LYS A 1 55 ? 0.513 -1.488 9.584 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 17 -ATOM 26460 C CE . LYS A 1 55 ? 1.227 -1.212 10.896 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 17 -ATOM 26461 N NZ . LYS A 1 55 ? 0.894 -2.208 11.936 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 17 -ATOM 26462 H H . LYS A 1 55 ? 2.553 0.934 6.844 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 17 -ATOM 26463 H HA . LYS A 1 55 ? 0.518 -0.227 5.091 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 17 -ATOM 26464 H HB2 . LYS A 1 55 ? -0.686 -0.911 7.190 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 17 -ATOM 26465 H HB3 . LYS A 1 55 ? 0.802 -1.791 6.875 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 17 -ATOM 26466 H HG2 . LYS A 1 55 ? 1.980 -0.396 8.502 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 17 -ATOM 26467 H HG3 . LYS A 1 55 ? 0.494 0.499 8.810 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 17 -ATOM 26468 H HD2 . LYS A 1 55 ? -0.553 -1.432 9.748 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 17 -ATOM 26469 H HD3 . LYS A 1 55 ? 0.771 -2.480 9.243 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 17 -ATOM 26470 H HE2 . LYS A 1 55 ? 2.292 -1.238 10.720 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 17 -ATOM 26471 H HE3 . LYS A 1 55 ? 0.951 -0.227 11.235 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 17 -ATOM 26472 H HZ1 . LYS A 1 55 ? 1.335 -1.960 12.845 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 17 -ATOM 26473 H HZ2 . LYS A 1 55 ? 1.219 -3.165 11.689 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 17 -ATOM 26474 H HZ3 . LYS A 1 55 ? -0.131 -2.259 12.094 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 17 -ATOM 26475 N N . ILE A 1 56 ? -1.063 1.616 5.502 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 17 -ATOM 26476 C CA . ILE A 1 56 ? -1.965 2.729 5.611 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 17 -ATOM 26477 C C . ILE A 1 56 ? -3.264 2.199 6.152 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 17 -ATOM 26478 O O . ILE A 1 56 ? -3.704 1.107 5.768 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 17 -ATOM 26479 C CB . ILE A 1 56 ? -2.202 3.432 4.234 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 17 -ATOM 26480 C CG1 . ILE A 1 56 ? -0.905 4.090 3.749 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 17 -ATOM 26481 C CG2 . ILE A 1 56 ? -3.343 4.464 4.307 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 17 -ATOM 26482 C CD1 . ILE A 1 56 ? -1.023 4.767 2.401 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 17 -ATOM 26483 H H . ILE A 1 56 ? -1.251 0.915 4.838 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 17 -ATOM 26484 H HA . ILE A 1 56 ? -1.546 3.435 6.312 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 17 -ATOM 26485 H HB . ILE A 1 56 ? -2.491 2.674 3.522 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 17 -ATOM 26486 H HG12 . ILE A 1 56 ? -0.607 4.841 4.466 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 17 -ATOM 26487 H HG13 . ILE A 1 56 ? -0.134 3.338 3.685 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 17 -ATOM 26488 H HG21 . ILE A 1 56 ? -3.492 4.912 3.336 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 17 -ATOM 26489 H HG22 . ILE A 1 56 ? -3.095 5.242 5.014 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 17 -ATOM 26490 H HG23 . ILE A 1 56 ? -4.256 3.980 4.622 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 17 -ATOM 26491 H HD11 . ILE A 1 56 ? -1.273 4.026 1.657 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 17 -ATOM 26492 H HD12 . ILE A 1 56 ? -0.092 5.252 2.146 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 17 -ATOM 26493 H HD13 . ILE A 1 56 ? -1.810 5.505 2.442 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 17 -ATOM 26494 N N . LYS A 1 57 ? -3.855 2.928 7.040 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 17 -ATOM 26495 C CA . LYS A 1 57 ? -5.069 2.524 7.656 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 17 -ATOM 26496 C C . LYS A 1 57 ? -6.116 3.607 7.498 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 17 -ATOM 26497 O O . LYS A 1 57 ? -5.896 4.766 7.862 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 17 -ATOM 26498 C CB . LYS A 1 57 ? -4.879 2.123 9.151 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 17 -ATOM 26499 C CG . LYS A 1 57 ? -4.314 3.211 10.065 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 17 -ATOM 26500 C CD . LYS A 1 57 ? -2.822 3.455 9.873 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 17 -ATOM 26501 C CE . LYS A 1 57 ? -2.409 4.695 10.620 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 17 -ATOM 26502 N NZ . LYS A 1 57 ? -0.977 5.027 10.446 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 17 -ATOM 26503 H H . LYS A 1 57 ? -3.484 3.808 7.273 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 17 -ATOM 26504 H HA . LYS A 1 57 ? -5.400 1.657 7.111 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 17 -ATOM 26505 H HB2 . LYS A 1 57 ? -5.837 1.826 9.551 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 17 -ATOM 26506 H HB3 . LYS A 1 57 ? -4.216 1.271 9.193 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 17 -ATOM 26507 H HG2 . LYS A 1 57 ? -4.835 4.133 9.849 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 17 -ATOM 26508 H HG3 . LYS A 1 57 ? -4.503 2.939 11.092 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 17 -ATOM 26509 H HD2 . LYS A 1 57 ? -2.275 2.609 10.265 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 17 -ATOM 26510 H HD3 . LYS A 1 57 ? -2.601 3.576 8.825 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 17 -ATOM 26511 H HE2 . LYS A 1 57 ? -3.014 5.491 10.218 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 17 -ATOM 26512 H HE3 . LYS A 1 57 ? -2.639 4.553 11.665 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 17 -ATOM 26513 H HZ1 . LYS A 1 57 ? -0.363 4.256 10.772 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 17 -ATOM 26514 H HZ2 . LYS A 1 57 ? -0.724 5.860 11.014 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 17 -ATOM 26515 H HZ3 . LYS A 1 57 ? -0.727 5.240 9.459 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 17 -ATOM 26516 N N . LEU A 1 58 ? -7.228 3.239 6.921 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 17 -ATOM 26517 C CA . LEU A 1 58 ? -8.327 4.138 6.726 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 17 -ATOM 26518 C C . LEU A 1 58 ? -9.108 4.164 8.041 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 17 -ATOM 26519 O O . LEU A 1 58 ? -10.005 3.333 8.275 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 17 -ATOM 26520 C CB . LEU A 1 58 ? -9.206 3.642 5.558 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 17 -ATOM 26521 C CG . LEU A 1 58 ? -9.852 4.703 4.646 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 17 -ATOM 26522 C CD1 . LEU A 1 58 ? -10.644 4.032 3.545 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 17 -ATOM 26523 C CD2 . LEU A 1 58 ? -10.739 5.672 5.409 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 17 -ATOM 26524 H H . LEU A 1 58 ? -7.320 2.308 6.613 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 17 -ATOM 26525 H HA . LEU A 1 58 ? -7.935 5.120 6.509 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 17 -ATOM 26526 H HB2 . LEU A 1 58 ? -8.597 3.001 4.938 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 17 -ATOM 26527 H HB3 . LEU A 1 58 ? -9.996 3.039 5.981 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 17 -ATOM 26528 H HG . LEU A 1 58 ? -9.063 5.263 4.165 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 17 -ATOM 26529 H HD11 . LEU A 1 58 ? -11.084 4.781 2.906 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 17 -ATOM 26530 H HD12 . LEU A 1 58 ? -11.428 3.431 3.982 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 17 -ATOM 26531 H HD13 . LEU A 1 58 ? -9.989 3.403 2.962 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 17 -ATOM 26532 H HD21 . LEU A 1 58 ? -11.151 6.379 4.703 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 17 -ATOM 26533 H HD22 . LEU A 1 58 ? -10.153 6.197 6.149 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 17 -ATOM 26534 H HD23 . LEU A 1 58 ? -11.542 5.131 5.888 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 17 -ATOM 26535 N N . ARG A 1 59 ? -8.728 5.105 8.886 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 17 -ATOM 26536 C CA . ARG A 1 59 ? -9.202 5.264 10.278 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 17 -ATOM 26537 C C . ARG A 1 59 ? -10.700 5.550 10.377 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 17 -ATOM 26538 O O . ARG A 1 59 ? -11.263 5.582 11.476 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 17 -ATOM 26539 C CB . ARG A 1 59 ? -8.417 6.409 10.942 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 17 -ATOM 26540 C CG . ARG A 1 59 ? -6.910 6.174 11.027 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 17 -ATOM 26541 C CD . ARG A 1 59 ? -6.540 5.170 12.111 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 17 -ATOM 26542 N NE . ARG A 1 59 ? -6.768 5.726 13.449 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 17 -ATOM 26543 C CZ . ARG A 1 59 ? -6.379 5.179 14.606 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 17 -ATOM 26544 N NH1 . ARG A 1 59 ? -5.767 3.999 14.636 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 17 -ATOM 26545 N NH2 . ARG A 1 59 ? -6.590 5.836 15.739 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 17 -ATOM 26546 H H . ARG A 1 59 ? -8.064 5.744 8.544 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 17 -ATOM 26547 H HA . ARG A 1 59 ? -8.978 4.357 10.817 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 17 -ATOM 26548 H HB2 . ARG A 1 59 ? -8.585 7.316 10.377 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 17 -ATOM 26549 H HB3 . ARG A 1 59 ? -8.793 6.549 11.944 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 17 -ATOM 26550 H HG2 . ARG A 1 59 ? -6.562 5.799 10.075 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 17 -ATOM 26551 H HG3 . ARG A 1 59 ? -6.424 7.116 11.240 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 17 -ATOM 26552 H HD2 . ARG A 1 59 ? -7.142 4.281 11.991 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 17 -ATOM 26553 H HD3 . ARG A 1 59 ? -5.496 4.913 12.013 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 17 -ATOM 26554 H HE . ARG A 1 59 ? -7.217 6.601 13.467 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 17 -ATOM 26555 H HH11 . ARG A 1 59 ? -5.565 3.459 13.815 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 17 -ATOM 26556 H HH12 . ARG A 1 59 ? -5.456 3.598 15.502 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 17 -ATOM 26557 H HH21 . ARG A 1 59 ? -7.035 6.737 15.741 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 17 -ATOM 26558 H HH22 . ARG A 1 59 ? -6.294 5.459 16.621 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 17 -ATOM 26559 N N . SER A 1 60 ? -11.318 5.788 9.266 1.00 0.00 ? ? ? ? ? ? 57 SER A N 17 -ATOM 26560 C CA . SER A 1 60 ? -12.720 6.088 9.223 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 17 -ATOM 26561 C C . SER A 1 60 ? -13.557 4.855 8.822 1.00 0.00 ? ? ? ? ? ? 57 SER A C 17 -ATOM 26562 O O . SER A 1 60 ? -14.776 4.835 9.010 1.00 0.00 ? ? ? ? ? ? 57 SER A O 17 -ATOM 26563 C CB . SER A 1 60 ? -12.919 7.219 8.227 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 17 -ATOM 26564 O OG . SER A 1 60 ? -12.023 8.287 8.516 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 17 -ATOM 26565 H H . SER A 1 60 ? -10.810 5.804 8.430 1.00 0.00 ? ? ? ? ? ? 57 SER A H 17 -ATOM 26566 H HA . SER A 1 60 ? -13.030 6.437 10.197 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 17 -ATOM 26567 H HB2 . SER A 1 60 ? -12.725 6.857 7.228 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 17 -ATOM 26568 H HB3 . SER A 1 60 ? -13.930 7.590 8.293 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 17 -ATOM 26569 H HG . SER A 1 60 ? -12.542 8.947 8.992 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 17 -ATOM 26570 N N . SER A 1 61 ? -12.912 3.812 8.326 1.00 0.00 ? ? ? ? ? ? 58 SER A N 17 -ATOM 26571 C CA . SER A 1 61 ? -13.668 2.689 7.822 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 17 -ATOM 26572 C C . SER A 1 61 ? -13.115 1.330 8.290 1.00 0.00 ? ? ? ? ? ? 58 SER A C 17 -ATOM 26573 O O . SER A 1 61 ? -13.888 0.411 8.576 1.00 0.00 ? ? ? ? ? ? 58 SER A O 17 -ATOM 26574 C CB . SER A 1 61 ? -13.755 2.767 6.286 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 17 -ATOM 26575 O OG . SER A 1 61 ? -14.610 1.768 5.762 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 17 -ATOM 26576 H H . SER A 1 61 ? -11.931 3.798 8.332 1.00 0.00 ? ? ? ? ? ? 58 SER A H 17 -ATOM 26577 H HA . SER A 1 61 ? -14.670 2.788 8.212 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 17 -ATOM 26578 H HB2 . SER A 1 61 ? -14.144 3.734 6.001 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 17 -ATOM 26579 H HB3 . SER A 1 61 ? -12.768 2.641 5.868 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 17 -ATOM 26580 H HG . SER A 1 61 ? -15.231 1.517 6.459 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 17 -ATOM 26581 N N . GLY A 1 62 ? -11.809 1.202 8.405 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 17 -ATOM 26582 C CA . GLY A 1 62 ? -11.251 -0.078 8.786 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 17 -ATOM 26583 C C . GLY A 1 62 ? -10.672 -0.821 7.599 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 17 -ATOM 26584 O O . GLY A 1 62 ? -10.681 -2.067 7.552 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 17 -ATOM 26585 H H . GLY A 1 62 ? -11.209 1.970 8.275 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 17 -ATOM 26586 H HA2 . GLY A 1 62 ? -10.467 0.082 9.512 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 17 -ATOM 26587 H HA3 . GLY A 1 62 ? -12.029 -0.681 9.228 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 17 -ATOM 26588 N N . TYR A 1 63 ? -10.219 -0.069 6.625 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 17 -ATOM 26589 C CA . TYR A 1 63 ? -9.536 -0.614 5.470 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 17 -ATOM 26590 C C . TYR A 1 63 ? -8.066 -0.332 5.601 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 17 -ATOM 26591 O O . TYR A 1 63 ? -7.681 0.683 6.175 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 17 -ATOM 26592 C CB . TYR A 1 63 ? -10.074 -0.045 4.160 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 17 -ATOM 26593 C CG . TYR A 1 63 ? -11.398 -0.629 3.723 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 17 -ATOM 26594 C CD1 . TYR A 1 63 ? -12.600 -0.138 4.203 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 17 -ATOM 26595 C CD2 . TYR A 1 63 ? -11.438 -1.668 2.804 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 17 -ATOM 26596 C CE1 . TYR A 1 63 ? -13.806 -0.664 3.779 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 17 -ATOM 26597 C CE2 . TYR A 1 63 ? -12.635 -2.200 2.380 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 17 -ATOM 26598 C CZ . TYR A 1 63 ? -13.815 -1.692 2.869 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 17 -ATOM 26599 O OH . TYR A 1 63 ? -15.011 -2.220 2.440 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 17 -ATOM 26600 H H . TYR A 1 63 ? -10.322 0.903 6.688 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 17 -ATOM 26601 H HA . TYR A 1 63 ? -9.681 -1.684 5.486 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 17 -ATOM 26602 H HB2 . TYR A 1 63 ? -10.211 1.020 4.271 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 17 -ATOM 26603 H HB3 . TYR A 1 63 ? -9.354 -0.227 3.377 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 17 -ATOM 26604 H HD1 . TYR A 1 63 ? -12.585 0.670 4.919 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 17 -ATOM 26605 H HD2 . TYR A 1 63 ? -10.508 -2.064 2.422 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 17 -ATOM 26606 H HE1 . TYR A 1 63 ? -14.735 -0.267 4.161 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 17 -ATOM 26607 H HE2 . TYR A 1 63 ? -12.645 -3.008 1.664 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 17 -ATOM 26608 H HH . TYR A 1 63 ? -15.638 -1.509 2.247 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 17 -ATOM 26609 N N . ARG A 1 64 ? -7.252 -1.227 5.119 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 17 -ATOM 26610 C CA . ARG A 1 64 ? -5.821 -1.118 5.254 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 17 -ATOM 26611 C C . ARG A 1 64 ? -5.148 -1.440 3.935 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 17 -ATOM 26612 O O . ARG A 1 64 ? -5.643 -2.261 3.161 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 17 -ATOM 26613 C CB . ARG A 1 64 ? -5.359 -2.084 6.337 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 17 -ATOM 26614 C CG . ARG A 1 64 ? -6.018 -1.816 7.676 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 17 -ATOM 26615 C CD . ARG A 1 64 ? -5.833 -2.952 8.627 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 17 -ATOM 26616 N NE . ARG A 1 64 ? -4.433 -3.146 9.016 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 17 -ATOM 26617 C CZ . ARG A 1 64 ? -4.028 -3.697 10.170 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 17 -ATOM 26618 N NH1 . ARG A 1 64 ? -4.906 -4.079 11.093 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 17 -ATOM 26619 N NH2 . ARG A 1 64 ? -2.749 -3.887 10.382 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 17 -ATOM 26620 H H . ARG A 1 64 ? -7.612 -2.002 4.633 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 17 -ATOM 26621 H HA . ARG A 1 64 ? -5.572 -0.112 5.557 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 17 -ATOM 26622 H HB2 . ARG A 1 64 ? -5.597 -3.090 6.028 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 17 -ATOM 26623 H HB3 . ARG A 1 64 ? -4.289 -1.994 6.460 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 17 -ATOM 26624 H HG2 . ARG A 1 64 ? -5.582 -0.928 8.108 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 17 -ATOM 26625 H HG3 . ARG A 1 64 ? -7.075 -1.656 7.513 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 17 -ATOM 26626 H HD2 . ARG A 1 64 ? -6.465 -2.794 9.486 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 17 -ATOM 26627 H HD3 . ARG A 1 64 ? -6.171 -3.827 8.090 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 17 -ATOM 26628 H HE . ARG A 1 64 ? -3.781 -2.858 8.341 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 17 -ATOM 26629 H HH11 . ARG A 1 64 ? -5.904 -3.990 11.010 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 17 -ATOM 26630 H HH12 . ARG A 1 64 ? -4.599 -4.503 11.949 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 17 -ATOM 26631 H HH21 . ARG A 1 64 ? -2.039 -3.654 9.712 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 17 -ATOM 26632 H HH22 . ARG A 1 64 ? -2.432 -4.266 11.257 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 17 -ATOM 26633 N N . LEU A 1 65 ? -4.050 -0.800 3.685 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 17 -ATOM 26634 C CA . LEU A 1 65 ? -3.299 -0.989 2.470 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 17 -ATOM 26635 C C . LEU A 1 65 ? -1.836 -1.200 2.855 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 17 -ATOM 26636 O O . LEU A 1 65 ? -1.316 -0.474 3.699 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 17 -ATOM 26637 C CB . LEU A 1 65 ? -3.515 0.258 1.560 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 17 -ATOM 26638 C CG . LEU A 1 65 ? -2.921 0.252 0.134 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 17 -ATOM 26639 C CD1 . LEU A 1 65 ? -3.585 1.331 -0.702 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 17 -ATOM 26640 C CD2 . LEU A 1 65 ? -1.437 0.518 0.160 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 17 -ATOM 26641 H H . LEU A 1 65 ? -3.707 -0.161 4.349 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 17 -ATOM 26642 H HA . LEU A 1 65 ? -3.670 -1.872 1.973 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 17 -ATOM 26643 H HB2 . LEU A 1 65 ? -4.579 0.415 1.465 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 17 -ATOM 26644 H HB3 . LEU A 1 65 ? -3.111 1.111 2.085 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 17 -ATOM 26645 H HG . LEU A 1 65 ? -3.098 -0.707 -0.329 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 17 -ATOM 26646 H HD11 . LEU A 1 65 ? -4.644 1.136 -0.767 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 17 -ATOM 26647 H HD12 . LEU A 1 65 ? -3.159 1.322 -1.695 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 17 -ATOM 26648 H HD13 . LEU A 1 65 ? -3.421 2.294 -0.241 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 17 -ATOM 26649 H HD21 . LEU A 1 65 ? -1.268 1.477 0.623 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 17 -ATOM 26650 H HD22 . LEU A 1 65 ? -1.057 0.531 -0.851 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 17 -ATOM 26651 H HD23 . LEU A 1 65 ? -0.936 -0.253 0.728 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 17 -ATOM 26652 N N . VAL A 1 66 ? -1.192 -2.202 2.274 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 17 -ATOM 26653 C CA . VAL A 1 66 ? 0.197 -2.510 2.597 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 17 -ATOM 26654 C C . VAL A 1 66 ? 1.052 -2.443 1.332 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 17 -ATOM 26655 O O . VAL A 1 66 ? 0.720 -3.061 0.296 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 17 -ATOM 26656 C CB . VAL A 1 66 ? 0.346 -3.917 3.262 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 17 -ATOM 26657 C CG1 . VAL A 1 66 ? 1.801 -4.203 3.629 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 17 -ATOM 26658 C CG2 . VAL A 1 66 ? -0.538 -4.032 4.501 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 17 -ATOM 26659 H H . VAL A 1 66 ? -1.632 -2.752 1.587 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 17 -ATOM 26660 H HA . VAL A 1 66 ? 0.550 -1.758 3.287 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 17 -ATOM 26661 H HB . VAL A 1 66 ? 0.028 -4.661 2.545 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 17 -ATOM 26662 H HG11 . VAL A 1 66 ? 2.151 -3.449 4.320 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 17 -ATOM 26663 H HG12 . VAL A 1 66 ? 2.410 -4.182 2.739 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 17 -ATOM 26664 H HG13 . VAL A 1 66 ? 1.876 -5.175 4.095 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 17 -ATOM 26665 H HG21 . VAL A 1 66 ? -0.244 -3.280 5.218 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 17 -ATOM 26666 H HG22 . VAL A 1 66 ? -0.422 -5.013 4.938 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 17 -ATOM 26667 H HG23 . VAL A 1 66 ? -1.569 -3.880 4.220 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 17 -ATOM 26668 N N . TYR A 1 67 ? 2.128 -1.707 1.405 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 17 -ATOM 26669 C CA . TYR A 1 67 ? 3.009 -1.524 0.278 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 17 -ATOM 26670 C C . TYR A 1 67 ? 4.451 -1.570 0.715 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 17 -ATOM 26671 O O . TYR A 1 67 ? 4.751 -1.364 1.895 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 17 -ATOM 26672 C CB . TYR A 1 67 ? 2.715 -0.195 -0.451 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 17 -ATOM 26673 C CG . TYR A 1 67 ? 2.821 1.062 0.392 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 17 -ATOM 26674 C CD1 . TYR A 1 67 ? 4.047 1.577 0.791 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 17 -ATOM 26675 C CD2 . TYR A 1 67 ? 1.690 1.735 0.772 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 17 -ATOM 26676 C CE1 . TYR A 1 67 ? 4.123 2.722 1.544 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 17 -ATOM 26677 C CE2 . TYR A 1 67 ? 1.757 2.874 1.520 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 17 -ATOM 26678 C CZ . TYR A 1 67 ? 2.974 3.366 1.905 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 17 -ATOM 26679 O OH . TYR A 1 67 ? 3.040 4.501 2.661 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 17 -ATOM 26680 H H . TYR A 1 67 ? 2.362 -1.278 2.262 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 17 -ATOM 26681 H HA . TYR A 1 67 ? 2.832 -2.336 -0.411 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 17 -ATOM 26682 H HB2 . TYR A 1 67 ? 3.388 -0.083 -1.285 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 17 -ATOM 26683 H HB3 . TYR A 1 67 ? 1.705 -0.242 -0.830 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 17 -ATOM 26684 H HD1 . TYR A 1 67 ? 4.952 1.063 0.501 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 17 -ATOM 26685 H HD2 . TYR A 1 67 ? 0.731 1.345 0.471 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 17 -ATOM 26686 H HE1 . TYR A 1 67 ? 5.084 3.110 1.847 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 17 -ATOM 26687 H HE2 . TYR A 1 67 ? 0.844 3.380 1.792 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 17 -ATOM 26688 H HH . TYR A 1 67 ? 3.717 5.086 2.314 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 17 -ATOM 26689 N N . GLN A 1 68 ? 5.332 -1.843 -0.205 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 17 -ATOM 26690 C CA . GLN A 1 68 ? 6.733 -1.799 0.080 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 17 -ATOM 26691 C C . GLN A 1 68 ? 7.328 -0.606 -0.658 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 17 -ATOM 26692 O O . GLN A 1 68 ? 6.933 -0.306 -1.794 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 17 -ATOM 26693 C CB . GLN A 1 68 ? 7.458 -3.103 -0.312 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 17 -ATOM 26694 C CG . GLN A 1 68 ? 7.593 -3.346 -1.806 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 17 -ATOM 26695 C CD . GLN A 1 68 ? 8.448 -4.552 -2.118 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 17 -ATOM 26696 O OE1 . GLN A 1 68 ? 7.956 -5.668 -2.302 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 17 -ATOM 26697 N NE2 . GLN A 1 68 ? 9.741 -4.350 -2.117 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 17 -ATOM 26698 H H . GLN A 1 68 ? 5.029 -2.050 -1.119 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 17 -ATOM 26699 H HA . GLN A 1 68 ? 6.843 -1.625 1.139 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 17 -ATOM 26700 H HB2 . GLN A 1 68 ? 8.451 -3.084 0.111 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 17 -ATOM 26701 H HB3 . GLN A 1 68 ? 6.919 -3.934 0.121 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 17 -ATOM 26702 H HG2 . GLN A 1 68 ? 6.610 -3.506 -2.220 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 17 -ATOM 26703 H HG3 . GLN A 1 68 ? 8.040 -2.475 -2.263 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 17 -ATOM 26704 H HE21 . GLN A 1 68 ? 10.071 -3.450 -1.913 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 17 -ATOM 26705 H HE22 . GLN A 1 68 ? 10.340 -5.101 -2.305 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 17 -ATOM 26706 N N . VAL A 1 69 ? 8.204 0.101 -0.025 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 17 -ATOM 26707 C CA . VAL A 1 69 ? 8.847 1.218 -0.660 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 17 -ATOM 26708 C C . VAL A 1 69 ? 10.235 0.818 -1.060 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 17 -ATOM 26709 O O . VAL A 1 69 ? 11.085 0.556 -0.214 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 17 -ATOM 26710 C CB . VAL A 1 69 ? 8.906 2.478 0.253 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 17 -ATOM 26711 C CG1 . VAL A 1 69 ? 9.650 3.626 -0.430 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 17 -ATOM 26712 C CG2 . VAL A 1 69 ? 7.512 2.921 0.627 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 17 -ATOM 26713 H H . VAL A 1 69 ? 8.454 -0.126 0.901 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 17 -ATOM 26714 H HA . VAL A 1 69 ? 8.288 1.458 -1.553 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 17 -ATOM 26715 H HB . VAL A 1 69 ? 9.437 2.221 1.157 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 17 -ATOM 26716 H HG11 . VAL A 1 69 ? 9.656 4.488 0.220 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 17 -ATOM 26717 H HG12 . VAL A 1 69 ? 9.160 3.874 -1.360 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 17 -ATOM 26718 H HG13 . VAL A 1 69 ? 10.666 3.321 -0.633 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 17 -ATOM 26719 H HG21 . VAL A 1 69 ? 7.566 3.796 1.257 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 17 -ATOM 26720 H HG22 . VAL A 1 69 ? 7.021 2.122 1.162 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 17 -ATOM 26721 H HG23 . VAL A 1 69 ? 6.948 3.148 -0.264 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 17 -ATOM 26722 N N . ILE A 1 70 ? 10.464 0.735 -2.327 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 17 -ATOM 26723 C CA . ILE A 1 70 ? 11.761 0.425 -2.811 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 17 -ATOM 26724 C C . ILE A 1 70 ? 12.411 1.752 -3.096 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 17 -ATOM 26725 O O . ILE A 1 70 ? 12.222 2.335 -4.174 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 17 -ATOM 26726 C CB . ILE A 1 70 ? 11.702 -0.413 -4.113 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 17 -ATOM 26727 C CG1 . ILE A 1 70 ? 10.753 -1.608 -3.930 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 17 -ATOM 26728 C CG2 . ILE A 1 70 ? 13.104 -0.909 -4.468 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 17 -ATOM 26729 C CD1 . ILE A 1 70 ? 10.491 -2.399 -5.197 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 17 -ATOM 26730 H H . ILE A 1 70 ? 9.746 0.932 -2.973 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 17 -ATOM 26731 H HA . ILE A 1 70 ? 12.307 -0.107 -2.047 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 17 -ATOM 26732 H HB . ILE A 1 70 ? 11.338 0.211 -4.915 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 17 -ATOM 26733 H HG12 . ILE A 1 70 ? 11.175 -2.286 -3.202 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 17 -ATOM 26734 H HG13 . ILE A 1 70 ? 9.804 -1.244 -3.561 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 17 -ATOM 26735 H HG21 . ILE A 1 70 ? 13.066 -1.469 -5.390 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 17 -ATOM 26736 H HG22 . ILE A 1 70 ? 13.460 -1.557 -3.681 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 17 -ATOM 26737 H HG23 . ILE A 1 70 ? 13.772 -0.068 -4.580 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 17 -ATOM 26738 H HD11 . ILE A 1 70 ? 10.012 -1.760 -5.923 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 17 -ATOM 26739 H HD12 . ILE A 1 70 ? 9.853 -3.242 -4.976 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 17 -ATOM 26740 H HD13 . ILE A 1 70 ? 11.430 -2.750 -5.596 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 17 -ATOM 26741 N N . ASP A 1 71 ? 13.155 2.243 -2.136 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 17 -ATOM 26742 C CA . ASP A 1 71 ? 13.740 3.580 -2.232 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 17 -ATOM 26743 C C . ASP A 1 71 ? 14.811 3.600 -3.284 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 17 -ATOM 26744 O O . ASP A 1 71 ? 14.957 4.564 -4.020 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 17 -ATOM 26745 C CB . ASP A 1 71 ? 14.309 4.023 -0.894 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 17 -ATOM 26746 C CG . ASP A 1 71 ? 14.760 5.464 -0.920 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 17 -ATOM 26747 O OD1 . ASP A 1 71 ? 15.900 5.747 -1.299 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 17 -ATOM 26748 O OD2 . ASP A 1 71 ? 13.968 6.344 -0.539 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 17 -ATOM 26749 H H . ASP A 1 71 ? 13.310 1.700 -1.331 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 17 -ATOM 26750 H HA . ASP A 1 71 ? 12.954 4.261 -2.524 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 17 -ATOM 26751 H HB2 . ASP A 1 71 ? 13.551 3.915 -0.132 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 17 -ATOM 26752 H HB3 . ASP A 1 71 ? 15.156 3.401 -0.644 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 17 -ATOM 26753 N N . GLU A 1 72 ? 15.493 2.479 -3.388 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 17 -ATOM 26754 C CA . GLU A 1 72 ? 16.565 2.270 -4.341 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 17 -ATOM 26755 C C . GLU A 1 72 ? 16.074 2.477 -5.781 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 17 -ATOM 26756 O O . GLU A 1 72 ? 16.796 3.004 -6.621 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 17 -ATOM 26757 C CB . GLU A 1 72 ? 17.111 0.861 -4.151 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 17 -ATOM 26758 C CG . GLU A 1 72 ? 17.634 0.624 -2.744 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 17 -ATOM 26759 C CD . GLU A 1 72 ? 18.025 -0.802 -2.479 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 17 -ATOM 26760 O OE1 . GLU A 1 72 ? 19.140 -1.215 -2.855 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 17 -ATOM 26761 O OE2 . GLU A 1 72 ? 17.225 -1.541 -1.880 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 17 -ATOM 26762 H H . GLU A 1 72 ? 15.269 1.763 -2.760 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 17 -ATOM 26763 H HA . GLU A 1 72 ? 17.353 2.978 -4.130 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 17 -ATOM 26764 H HB2 . GLU A 1 72 ? 16.325 0.148 -4.352 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 17 -ATOM 26765 H HB3 . GLU A 1 72 ? 17.921 0.704 -4.846 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 17 -ATOM 26766 H HG2 . GLU A 1 72 ? 18.501 1.247 -2.588 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 17 -ATOM 26767 H HG3 . GLU A 1 72 ? 16.866 0.907 -2.040 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 17 -ATOM 26768 N N . LYS A 1 73 ? 14.833 2.090 -6.044 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 17 -ATOM 26769 C CA . LYS A 1 73 ? 14.237 2.245 -7.375 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 17 -ATOM 26770 C C . LYS A 1 73 ? 13.263 3.421 -7.385 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 17 -ATOM 26771 O O . LYS A 1 73 ? 12.649 3.717 -8.416 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 17 -ATOM 26772 C CB . LYS A 1 73 ? 13.486 0.978 -7.775 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 17 -ATOM 26773 C CG . LYS A 1 73 ? 14.335 -0.271 -7.897 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 17 -ATOM 26774 C CD . LYS A 1 73 ? 13.450 -1.466 -8.204 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 17 -ATOM 26775 C CE . LYS A 1 73 ? 14.240 -2.754 -8.272 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 17 -ATOM 26776 N NZ . LYS A 1 73 ? 13.360 -3.913 -8.463 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 17 -ATOM 26777 H H . LYS A 1 73 ? 14.293 1.705 -5.323 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 17 -ATOM 26778 H HA . LYS A 1 73 ? 15.030 2.428 -8.085 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 17 -ATOM 26779 H HB2 . LYS A 1 73 ? 12.745 0.779 -7.016 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 17 -ATOM 26780 H HB3 . LYS A 1 73 ? 12.988 1.148 -8.718 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 17 -ATOM 26781 H HG2 . LYS A 1 73 ? 15.049 -0.136 -8.696 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 17 -ATOM 26782 H HG3 . LYS A 1 73 ? 14.854 -0.443 -6.965 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 17 -ATOM 26783 H HD2 . LYS A 1 73 ? 12.695 -1.559 -7.439 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 17 -ATOM 26784 H HD3 . LYS A 1 73 ? 12.970 -1.298 -9.157 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 17 -ATOM 26785 H HE2 . LYS A 1 73 ? 14.928 -2.698 -9.102 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 17 -ATOM 26786 H HE3 . LYS A 1 73 ? 14.796 -2.878 -7.354 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 17 -ATOM 26787 H HZ1 . LYS A 1 73 ? 13.909 -4.791 -8.525 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 17 -ATOM 26788 H HZ2 . LYS A 1 73 ? 12.778 -3.832 -9.319 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 17 -ATOM 26789 H HZ3 . LYS A 1 73 ? 12.698 -4.023 -7.666 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 17 -ATOM 26790 N N . VAL A 1 74 ? 13.125 4.051 -6.210 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 17 -ATOM 26791 C CA . VAL A 1 74 ? 12.237 5.200 -5.929 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 17 -ATOM 26792 C C . VAL A 1 74 ? 10.766 4.898 -6.311 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 17 -ATOM 26793 O O . VAL A 1 74 ? 10.011 5.752 -6.777 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 17 -ATOM 26794 C CB . VAL A 1 74 ? 12.794 6.597 -6.478 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 17 -ATOM 26795 C CG1 . VAL A 1 74 ? 12.802 6.735 -7.993 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 17 -ATOM 26796 C CG2 . VAL A 1 74 ? 12.109 7.791 -5.818 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 17 -ATOM 26797 H H . VAL A 1 74 ? 13.650 3.720 -5.452 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 17 -ATOM 26798 H HA . VAL A 1 74 ? 12.222 5.238 -4.847 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 17 -ATOM 26799 H HB . VAL A 1 74 ? 13.832 6.628 -6.184 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 17 -ATOM 26800 H HG11 . VAL A 1 74 ? 11.792 6.653 -8.366 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 17 -ATOM 26801 H HG12 . VAL A 1 74 ? 13.406 5.947 -8.419 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 17 -ATOM 26802 H HG13 . VAL A 1 74 ? 13.213 7.697 -8.265 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 17 -ATOM 26803 H HG21 . VAL A 1 74 ? 11.051 7.744 -6.021 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 17 -ATOM 26804 H HG22 . VAL A 1 74 ? 12.515 8.709 -6.216 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 17 -ATOM 26805 H HG23 . VAL A 1 74 ? 12.271 7.759 -4.750 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 17 -ATOM 26806 N N . VAL A 1 75 ? 10.350 3.683 -6.017 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 17 -ATOM 26807 C CA . VAL A 1 75 ? 9.006 3.247 -6.323 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 17 -ATOM 26808 C C . VAL A 1 75 ? 8.336 2.641 -5.087 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 17 -ATOM 26809 O O . VAL A 1 75 ? 8.963 1.926 -4.295 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 17 -ATOM 26810 C CB . VAL A 1 75 ? 8.979 2.234 -7.535 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 17 -ATOM 26811 C CG1 . VAL A 1 75 ? 9.814 0.998 -7.253 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 17 -ATOM 26812 C CG2 . VAL A 1 75 ? 7.552 1.827 -7.909 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 17 -ATOM 26813 H H . VAL A 1 75 ? 10.956 3.070 -5.545 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 17 -ATOM 26814 H HA . VAL A 1 75 ? 8.435 4.123 -6.601 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 17 -ATOM 26815 H HB . VAL A 1 75 ? 9.422 2.733 -8.384 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 17 -ATOM 26816 H HG11 . VAL A 1 75 ? 9.417 0.487 -6.388 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 17 -ATOM 26817 H HG12 . VAL A 1 75 ? 10.830 1.299 -7.053 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 17 -ATOM 26818 H HG13 . VAL A 1 75 ? 9.785 0.338 -8.108 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 17 -ATOM 26819 H HG21 . VAL A 1 75 ? 6.976 2.701 -8.176 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 17 -ATOM 26820 H HG22 . VAL A 1 75 ? 7.084 1.337 -7.068 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 17 -ATOM 26821 H HG23 . VAL A 1 75 ? 7.581 1.146 -8.747 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 17 -ATOM 26822 N N . VAL A 1 76 ? 7.098 2.977 -4.917 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 17 -ATOM 26823 C CA . VAL A 1 76 ? 6.261 2.466 -3.884 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 17 -ATOM 26824 C C . VAL A 1 76 ? 5.363 1.425 -4.527 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 17 -ATOM 26825 O O . VAL A 1 76 ? 4.556 1.746 -5.410 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 17 -ATOM 26826 C CB . VAL A 1 76 ? 5.402 3.600 -3.271 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 17 -ATOM 26827 C CG1 . VAL A 1 76 ? 4.484 3.072 -2.193 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 17 -ATOM 26828 C CG2 . VAL A 1 76 ? 6.281 4.713 -2.723 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 17 -ATOM 26829 H H . VAL A 1 76 ? 6.686 3.616 -5.536 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 17 -ATOM 26830 H HA . VAL A 1 76 ? 6.874 2.013 -3.118 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 17 -ATOM 26831 H HB . VAL A 1 76 ? 4.795 4.013 -4.062 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 17 -ATOM 26832 H HG11 . VAL A 1 76 ? 3.913 3.888 -1.774 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 17 -ATOM 26833 H HG12 . VAL A 1 76 ? 5.067 2.606 -1.412 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 17 -ATOM 26834 H HG13 . VAL A 1 76 ? 3.808 2.347 -2.619 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 17 -ATOM 26835 H HG21 . VAL A 1 76 ? 6.854 5.147 -3.530 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 17 -ATOM 26836 H HG22 . VAL A 1 76 ? 6.960 4.309 -1.990 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 17 -ATOM 26837 H HG23 . VAL A 1 76 ? 5.662 5.474 -2.271 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 17 -ATOM 26838 N N . PHE A 1 77 ? 5.518 0.208 -4.122 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 17 -ATOM 26839 C CA . PHE A 1 77 ? 4.820 -0.886 -4.730 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 17 -ATOM 26840 C C . PHE A 1 77 ? 3.775 -1.442 -3.775 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 17 -ATOM 26841 O O . PHE A 1 77 ? 4.119 -2.004 -2.726 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 17 -ATOM 26842 C CB . PHE A 1 77 ? 5.837 -1.967 -5.126 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 17 -ATOM 26843 C CG . PHE A 1 77 ? 5.257 -3.149 -5.839 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 17 -ATOM 26844 C CD1 . PHE A 1 77 ? 5.110 -3.137 -7.211 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 17 -ATOM 26845 C CD2 . PHE A 1 77 ? 4.873 -4.276 -5.139 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 17 -ATOM 26846 C CE1 . PHE A 1 77 ? 4.587 -4.228 -7.872 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 17 -ATOM 26847 C CE2 . PHE A 1 77 ? 4.349 -5.363 -5.787 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 17 -ATOM 26848 C CZ . PHE A 1 77 ? 4.204 -5.344 -7.159 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 17 -ATOM 26849 H H . PHE A 1 77 ? 6.111 0.022 -3.359 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 17 -ATOM 26850 H HA . PHE A 1 77 ? 4.335 -0.527 -5.626 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 17 -ATOM 26851 H HB2 . PHE A 1 77 ? 6.580 -1.528 -5.774 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 17 -ATOM 26852 H HB3 . PHE A 1 77 ? 6.328 -2.321 -4.232 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 17 -ATOM 26853 H HD1 . PHE A 1 77 ? 5.408 -2.262 -7.769 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 17 -ATOM 26854 H HD2 . PHE A 1 77 ? 4.987 -4.293 -4.065 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 17 -ATOM 26855 H HE1 . PHE A 1 77 ? 4.479 -4.204 -8.946 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 17 -ATOM 26856 H HE2 . PHE A 1 77 ? 4.053 -6.228 -5.215 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 17 -ATOM 26857 H HZ . PHE A 1 77 ? 3.795 -6.201 -7.672 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 17 -ATOM 26858 N N . VAL A 1 78 ? 2.518 -1.264 -4.115 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 17 -ATOM 26859 C CA . VAL A 1 78 ? 1.424 -1.778 -3.317 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 17 -ATOM 26860 C C . VAL A 1 78 ? 1.290 -3.268 -3.565 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 17 -ATOM 26861 O O . VAL A 1 78 ? 1.085 -3.703 -4.705 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 17 -ATOM 26862 C CB . VAL A 1 78 ? 0.084 -1.059 -3.641 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 17 -ATOM 26863 C CG1 . VAL A 1 78 ? -1.061 -1.616 -2.800 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 17 -ATOM 26864 C CG2 . VAL A 1 78 ? 0.217 0.448 -3.434 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 17 -ATOM 26865 H H . VAL A 1 78 ? 2.318 -0.777 -4.947 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 17 -ATOM 26866 H HA . VAL A 1 78 ? 1.668 -1.627 -2.277 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 17 -ATOM 26867 H HB . VAL A 1 78 ? -0.153 -1.238 -4.678 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 17 -ATOM 26868 H HG11 . VAL A 1 78 ? -1.189 -2.665 -3.019 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 17 -ATOM 26869 H HG12 . VAL A 1 78 ? -1.974 -1.085 -3.027 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 17 -ATOM 26870 H HG13 . VAL A 1 78 ? -0.827 -1.496 -1.752 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 17 -ATOM 26871 H HG21 . VAL A 1 78 ? 0.985 0.832 -4.092 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 17 -ATOM 26872 H HG22 . VAL A 1 78 ? 0.490 0.652 -2.410 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 17 -ATOM 26873 H HG23 . VAL A 1 78 ? -0.723 0.928 -3.660 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 17 -ATOM 26874 N N . ILE A 1 79 ? 1.404 -4.041 -2.510 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 17 -ATOM 26875 C CA . ILE A 1 79 ? 1.376 -5.483 -2.629 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 17 -ATOM 26876 C C . ILE A 1 79 ? -0.038 -5.998 -2.417 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 17 -ATOM 26877 O O . ILE A 1 79 ? -0.509 -6.879 -3.136 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 17 -ATOM 26878 C CB . ILE A 1 79 ? 2.320 -6.149 -1.581 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 17 -ATOM 26879 C CG1 . ILE A 1 79 ? 3.728 -5.536 -1.664 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 17 -ATOM 26880 C CG2 . ILE A 1 79 ? 2.391 -7.674 -1.803 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 17 -ATOM 26881 C CD1 . ILE A 1 79 ? 4.684 -6.040 -0.604 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 17 -ATOM 26882 H H . ILE A 1 79 ? 1.501 -3.632 -1.622 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 17 -ATOM 26883 H HA . ILE A 1 79 ? 1.716 -5.754 -3.619 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 17 -ATOM 26884 H HB . ILE A 1 79 ? 1.914 -5.966 -0.596 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 17 -ATOM 26885 H HG12 . ILE A 1 79 ? 4.156 -5.772 -2.627 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 17 -ATOM 26886 H HG13 . ILE A 1 79 ? 3.652 -4.463 -1.565 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 17 -ATOM 26887 H HG21 . ILE A 1 79 ? 1.405 -8.102 -1.707 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 17 -ATOM 26888 H HG22 . ILE A 1 79 ? 3.046 -8.120 -1.070 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 17 -ATOM 26889 H HG23 . ILE A 1 79 ? 2.778 -7.881 -2.789 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 17 -ATOM 26890 H HD11 . ILE A 1 79 ? 4.798 -7.109 -0.705 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 17 -ATOM 26891 H HD12 . ILE A 1 79 ? 4.275 -5.819 0.371 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 17 -ATOM 26892 H HD13 . ILE A 1 79 ? 5.643 -5.558 -0.720 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 17 -ATOM 26893 N N . SER A 1 80 ? -0.719 -5.448 -1.439 1.00 0.00 ? ? ? ? ? ? 77 SER A N 17 -ATOM 26894 C CA . SER A 1 80 ? -2.049 -5.890 -1.097 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 17 -ATOM 26895 C C . SER A 1 80 ? -2.849 -4.732 -0.503 1.00 0.00 ? ? ? ? ? ? 77 SER A C 17 -ATOM 26896 O O . SER A 1 80 ? -2.277 -3.835 0.144 1.00 0.00 ? ? ? ? ? ? 77 SER A O 17 -ATOM 26897 C CB . SER A 1 80 ? -1.947 -7.061 -0.109 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 17 -ATOM 26898 O OG . SER A 1 80 ? -1.237 -8.144 -0.687 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 17 -ATOM 26899 H H . SER A 1 80 ? -0.345 -4.711 -0.909 1.00 0.00 ? ? ? ? ? ? 77 SER A H 17 -ATOM 26900 H HA . SER A 1 80 ? -2.534 -6.235 -1.998 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 17 -ATOM 26901 H HB2 . SER A 1 80 ? -1.397 -6.740 0.765 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 17 -ATOM 26902 H HB3 . SER A 1 80 ? -2.934 -7.398 0.169 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 17 -ATOM 26903 H HG . SER A 1 80 ? -0.989 -7.873 -1.581 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 17 -ATOM 26904 N N . VAL A 1 81 ? -4.148 -4.730 -0.732 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 17 -ATOM 26905 C CA . VAL A 1 81 ? -5.007 -3.663 -0.259 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 17 -ATOM 26906 C C . VAL A 1 81 ? -6.381 -4.216 0.111 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 17 -ATOM 26907 O O . VAL A 1 81 ? -6.866 -5.142 -0.522 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 17 -ATOM 26908 C CB . VAL A 1 81 ? -5.145 -2.527 -1.336 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 17 -ATOM 26909 C CG1 . VAL A 1 81 ? -5.680 -3.061 -2.652 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 17 -ATOM 26910 C CG2 . VAL A 1 81 ? -6.022 -1.387 -0.840 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 17 -ATOM 26911 H H . VAL A 1 81 ? -4.575 -5.466 -1.227 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 17 -ATOM 26912 H HA . VAL A 1 81 ? -4.553 -3.244 0.627 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 17 -ATOM 26913 H HB . VAL A 1 81 ? -4.156 -2.137 -1.527 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 17 -ATOM 26914 H HG11 . VAL A 1 81 ? -6.655 -3.497 -2.489 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 17 -ATOM 26915 H HG12 . VAL A 1 81 ? -5.006 -3.816 -3.028 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 17 -ATOM 26916 H HG13 . VAL A 1 81 ? -5.757 -2.255 -3.367 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 17 -ATOM 26917 H HG21 . VAL A 1 81 ? -6.084 -0.623 -1.601 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 17 -ATOM 26918 H HG22 . VAL A 1 81 ? -5.594 -0.969 0.059 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 17 -ATOM 26919 H HG23 . VAL A 1 81 ? -7.011 -1.763 -0.625 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 17 -ATOM 26920 N N . GLY A 1 82 ? -6.958 -3.711 1.175 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 17 -ATOM 26921 C CA . GLY A 1 82 ? -8.284 -4.094 1.528 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 17 -ATOM 26922 C C . GLY A 1 82 ? -8.441 -4.118 3.001 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 17 -ATOM 26923 O O . GLY A 1 82 ? -8.627 -3.086 3.632 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 17 -ATOM 26924 H H . GLY A 1 82 ? -6.480 -3.094 1.779 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 17 -ATOM 26925 H HA2 . GLY A 1 82 ? -8.980 -3.388 1.103 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 17 -ATOM 26926 H HA3 . GLY A 1 82 ? -8.488 -5.078 1.134 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 17 -ATOM 26927 N N . LYS A 1 83 ? -8.326 -5.263 3.560 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 17 -ATOM 26928 C CA . LYS A 1 83 ? -8.446 -5.441 4.972 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 17 -ATOM 26929 C C . LYS A 1 83 ? -7.392 -6.379 5.448 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 17 -ATOM 26930 O O . LYS A 1 83 ? -7.028 -7.313 4.739 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 17 -ATOM 26931 C CB . LYS A 1 83 ? -9.836 -5.971 5.344 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 17 -ATOM 26932 C CG . LYS A 1 83 ? -10.932 -4.920 5.325 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 17 -ATOM 26933 C CD . LYS A 1 83 ? -12.283 -5.530 5.616 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 17 -ATOM 26934 C CE . LYS A 1 83 ? -13.319 -4.466 5.915 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 17 -ATOM 26935 N NZ . LYS A 1 83 ? -13.035 -3.761 7.194 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 17 -ATOM 26936 H H . LYS A 1 83 ? -8.127 -6.056 3.014 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 17 -ATOM 26937 H HA . LYS A 1 83 ? -8.306 -4.479 5.442 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 17 -ATOM 26938 H HB2 . LYS A 1 83 ? -10.105 -6.746 4.642 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 17 -ATOM 26939 H HB3 . LYS A 1 83 ? -9.789 -6.401 6.333 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 17 -ATOM 26940 H HG2 . LYS A 1 83 ? -10.717 -4.170 6.073 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 17 -ATOM 26941 H HG3 . LYS A 1 83 ? -10.950 -4.460 4.348 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 17 -ATOM 26942 H HD2 . LYS A 1 83 ? -12.603 -6.095 4.753 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 17 -ATOM 26943 H HD3 . LYS A 1 83 ? -12.202 -6.191 6.466 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 17 -ATOM 26944 H HE2 . LYS A 1 83 ? -13.320 -3.748 5.109 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 17 -ATOM 26945 H HE3 . LYS A 1 83 ? -14.287 -4.937 5.979 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 17 -ATOM 26946 H HZ1 . LYS A 1 83 ? -12.103 -3.298 7.204 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 17 -ATOM 26947 H HZ2 . LYS A 1 83 ? -13.074 -4.435 7.986 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 17 -ATOM 26948 H HZ3 . LYS A 1 83 ? -13.764 -3.041 7.371 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 17 -ATOM 26949 N N . ALA A 1 84 ? -6.878 -6.138 6.617 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 17 -ATOM 26950 C CA . ALA A 1 84 ? -5.921 -7.032 7.189 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 17 -ATOM 26951 C C . ALA A 1 84 ? -6.659 -7.968 8.091 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 17 -ATOM 26952 O O . ALA A 1 84 ? -6.727 -7.777 9.312 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 17 -ATOM 26953 C CB . ALA A 1 84 ? -4.814 -6.302 7.920 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 17 -ATOM 26954 H H . ALA A 1 84 ? -7.194 -5.362 7.127 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 17 -ATOM 26955 H HA . ALA A 1 84 ? -5.499 -7.602 6.375 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 17 -ATOM 26956 H HB1 . ALA A 1 84 ? -5.234 -5.749 8.747 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 17 -ATOM 26957 H HB2 . ALA A 1 84 ? -4.335 -5.613 7.240 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 17 -ATOM 26958 H HB3 . ALA A 1 84 ? -4.091 -7.015 8.290 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 17 -ATOM 26959 N N . GLU A 1 85 ? -7.291 -8.917 7.480 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 17 -ATOM 26960 C CA . GLU A 1 85 ? -8.108 -9.825 8.172 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 17 -ATOM 26961 C C . GLU A 1 85 ? -7.307 -11.074 8.427 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 17 -ATOM 26962 O O . GLU A 1 85 ? -7.004 -11.841 7.491 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 17 -ATOM 26963 C CB . GLU A 1 85 ? -9.368 -10.109 7.362 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 17 -ATOM 26964 C CG . GLU A 1 85 ? -10.520 -10.574 8.213 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 17 -ATOM 26965 C CD . GLU A 1 85 ? -10.844 -9.553 9.276 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 17 -ATOM 26966 O OE1 . GLU A 1 85 ? -11.599 -8.594 8.998 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 17 -ATOM 26967 O OE2 . GLU A 1 85 ? -10.334 -9.683 10.412 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 17 -ATOM 26968 H H . GLU A 1 85 ? -7.184 -9.027 6.512 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 17 -ATOM 26969 H HA . GLU A 1 85 ? -8.385 -9.383 9.118 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 17 -ATOM 26970 H HB2 . GLU A 1 85 ? -9.663 -9.202 6.855 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 17 -ATOM 26971 H HB3 . GLU A 1 85 ? -9.151 -10.872 6.630 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 17 -ATOM 26972 H HG2 . GLU A 1 85 ? -11.387 -10.718 7.585 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 17 -ATOM 26973 H HG3 . GLU A 1 85 ? -10.252 -11.502 8.694 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 17 -ATOM 26974 N N . ALA A 1 86 ? -6.922 -11.230 9.677 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 17 -ATOM 26975 C CA . ALA A 1 86 ? -6.066 -12.295 10.155 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 17 -ATOM 26976 C C . ALA A 1 86 ? -4.619 -12.083 9.706 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 17 -ATOM 26977 O O . ALA A 1 86 ? -3.846 -11.442 10.420 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 17 -ATOM 26978 C CB . ALA A 1 86 ? -6.596 -13.705 9.840 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 17 -ATOM 26979 H H . ALA A 1 86 ? -7.227 -10.567 10.332 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 17 -ATOM 26980 H HA . ALA A 1 86 ? -6.051 -12.167 11.229 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 17 -ATOM 26981 H HB1 . ALA A 1 86 ? -6.599 -13.853 8.772 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 17 -ATOM 26982 H HB2 . ALA A 1 86 ? -7.601 -13.806 10.221 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 17 -ATOM 26983 H HB3 . ALA A 1 86 ? -5.956 -14.440 10.305 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 17 -ATOM 26984 N N . SER A 1 87 ? -4.234 -12.561 8.530 1.00 0.00 ? ? ? ? ? ? 84 SER A N 17 -ATOM 26985 C CA . SER A 1 87 ? -2.843 -12.392 8.105 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 17 -ATOM 26986 C C . SER A 1 87 ? -2.645 -12.369 6.577 1.00 0.00 ? ? ? ? ? ? 84 SER A C 17 -ATOM 26987 O O . SER A 1 87 ? -1.510 -12.280 6.138 1.00 0.00 ? ? ? ? ? ? 84 SER A O 17 -ATOM 26988 C CB . SER A 1 87 ? -1.969 -13.519 8.698 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 17 -ATOM 26989 O OG . SER A 1 87 ? -2.045 -13.557 10.129 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 17 -ATOM 26990 H H . SER A 1 87 ? -4.875 -13.043 7.963 1.00 0.00 ? ? ? ? ? ? 84 SER A H 17 -ATOM 26991 H HA . SER A 1 87 ? -2.484 -11.462 8.517 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 17 -ATOM 26992 H HB2 . SER A 1 87 ? -2.304 -14.469 8.308 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 17 -ATOM 26993 H HB3 . SER A 1 87 ? -0.941 -13.360 8.408 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 17 -ATOM 26994 H HG . SER A 1 87 ? -2.577 -12.797 10.406 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 17 -ATOM 26995 N N . GLU A 1 88 ? -3.722 -12.352 5.776 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 17 -ATOM 26996 C CA . GLU A 1 88 ? -3.569 -12.525 4.309 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 17 -ATOM 26997 C C . GLU A 1 88 ? -2.653 -11.477 3.665 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 17 -ATOM 26998 O O . GLU A 1 88 ? -1.715 -11.841 2.971 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 17 -ATOM 26999 C CB . GLU A 1 88 ? -4.922 -12.578 3.585 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 17 -ATOM 27000 C CG . GLU A 1 88 ? -4.811 -12.850 2.086 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 17 -ATOM 27001 C CD . GLU A 1 88 ? -6.143 -12.835 1.386 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 17 -ATOM 27002 O OE1 . GLU A 1 88 ? -6.879 -13.850 1.449 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 17 -ATOM 27003 O OE2 . GLU A 1 88 ? -6.486 -11.811 0.745 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 17 -ATOM 27004 H H . GLU A 1 88 ? -4.620 -12.230 6.149 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 17 -ATOM 27005 H HA . GLU A 1 88 ? -3.079 -13.479 4.177 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 17 -ATOM 27006 H HB2 . GLU A 1 88 ? -5.519 -13.362 4.025 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 17 -ATOM 27007 H HB3 . GLU A 1 88 ? -5.436 -11.639 3.715 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 17 -ATOM 27008 H HG2 . GLU A 1 88 ? -4.185 -12.092 1.641 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 17 -ATOM 27009 H HG3 . GLU A 1 88 ? -4.354 -13.818 1.941 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 17 -ATOM 27010 N N . VAL A 1 89 ? -2.887 -10.202 3.940 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 17 -ATOM 27011 C CA . VAL A 1 89 ? -2.067 -9.131 3.343 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 17 -ATOM 27012 C C . VAL A 1 89 ? -0.587 -9.210 3.769 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 17 -ATOM 27013 O O . VAL A 1 89 ? 0.306 -8.848 3.009 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 17 -ATOM 27014 C CB . VAL A 1 89 ? -2.622 -7.700 3.629 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 17 -ATOM 27015 C CG1 . VAL A 1 89 ? -3.982 -7.500 2.980 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 17 -ATOM 27016 C CG2 . VAL A 1 89 ? -2.702 -7.421 5.125 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 17 -ATOM 27017 H H . VAL A 1 89 ? -3.635 -9.976 4.533 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 17 -ATOM 27018 H HA . VAL A 1 89 ? -2.096 -9.298 2.276 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 17 -ATOM 27019 H HB . VAL A 1 89 ? -1.939 -6.989 3.185 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 17 -ATOM 27020 H HG11 . VAL A 1 89 ? -3.896 -7.610 1.909 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 17 -ATOM 27021 H HG12 . VAL A 1 89 ? -4.358 -6.514 3.212 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 17 -ATOM 27022 H HG13 . VAL A 1 89 ? -4.671 -8.240 3.355 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 17 -ATOM 27023 H HG21 . VAL A 1 89 ? -3.105 -6.432 5.286 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 17 -ATOM 27024 H HG22 . VAL A 1 89 ? -1.713 -7.480 5.555 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 17 -ATOM 27025 H HG23 . VAL A 1 89 ? -3.342 -8.153 5.596 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 17 -ATOM 27026 N N . TYR A 1 90 ? -0.335 -9.718 4.961 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 17 -ATOM 27027 C CA . TYR A 1 90 ? 1.021 -9.791 5.456 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 17 -ATOM 27028 C C . TYR A 1 90 ? 1.707 -11.041 4.992 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 17 -ATOM 27029 O O . TYR A 1 90 ? 2.848 -10.994 4.557 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 17 -ATOM 27030 C CB . TYR A 1 90 ? 1.087 -9.663 6.973 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 17 -ATOM 27031 C CG . TYR A 1 90 ? 0.623 -8.324 7.477 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 17 -ATOM 27032 C CD1 . TYR A 1 90 ? 1.232 -7.160 7.033 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 17 -ATOM 27033 C CD2 . TYR A 1 90 ? -0.406 -8.215 8.400 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 17 -ATOM 27034 C CE1 . TYR A 1 90 ? 0.832 -5.931 7.487 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 17 -ATOM 27035 C CE2 . TYR A 1 90 ? -0.815 -6.978 8.859 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 17 -ATOM 27036 C CZ . TYR A 1 90 ? -0.187 -5.840 8.393 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 17 -ATOM 27037 O OH . TYR A 1 90 ? -0.568 -4.609 8.861 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 17 -ATOM 27038 H H . TYR A 1 90 ? -1.077 -10.072 5.493 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 17 -ATOM 27039 H HA . TYR A 1 90 ? 1.547 -8.952 5.022 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 17 -ATOM 27040 H HB2 . TYR A 1 90 ? 0.472 -10.428 7.423 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 17 -ATOM 27041 H HB3 . TYR A 1 90 ? 2.109 -9.804 7.293 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 17 -ATOM 27042 H HD1 . TYR A 1 90 ? 2.033 -7.230 6.314 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 17 -ATOM 27043 H HD2 . TYR A 1 90 ? -0.890 -9.110 8.759 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 17 -ATOM 27044 H HE1 . TYR A 1 90 ? 1.322 -5.038 7.126 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 17 -ATOM 27045 H HE2 . TYR A 1 90 ? -1.620 -6.904 9.575 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 17 -ATOM 27046 H HH . TYR A 1 90 ? -0.453 -4.692 9.816 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 17 -ATOM 27047 N N . SER A 1 91 ? 1.006 -12.149 5.056 1.00 0.00 ? ? ? ? ? ? 88 SER A N 17 -ATOM 27048 C CA . SER A 1 91 ? 1.543 -13.413 4.638 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 17 -ATOM 27049 C C . SER A 1 91 ? 1.774 -13.442 3.130 1.00 0.00 ? ? ? ? ? ? 88 SER A C 17 -ATOM 27050 O O . SER A 1 91 ? 2.682 -14.131 2.650 1.00 0.00 ? ? ? ? ? ? 88 SER A O 17 -ATOM 27051 C CB . SER A 1 91 ? 0.640 -14.538 5.112 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 17 -ATOM 27052 O OG . SER A 1 91 ? 0.558 -14.519 6.537 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 17 -ATOM 27053 H H . SER A 1 91 ? 0.088 -12.141 5.410 1.00 0.00 ? ? ? ? ? ? 88 SER A H 17 -ATOM 27054 H HA . SER A 1 91 ? 2.502 -13.523 5.119 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 17 -ATOM 27055 H HB2 . SER A 1 91 ? -0.347 -14.407 4.696 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 17 -ATOM 27056 H HB3 . SER A 1 91 ? 1.048 -15.487 4.798 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 17 -ATOM 27057 H HG . SER A 1 91 ? 0.356 -15.417 6.832 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 17 -ATOM 27058 N N . GLU A 1 92 ? 0.967 -12.683 2.396 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 17 -ATOM 27059 C CA . GLU A 1 92 ? 1.136 -12.523 0.963 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 17 -ATOM 27060 C C . GLU A 1 92 ? 2.496 -11.899 0.703 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 17 -ATOM 27061 O O . GLU A 1 92 ? 3.299 -12.425 -0.058 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 17 -ATOM 27062 C CB . GLU A 1 92 ? 0.035 -11.595 0.413 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 17 -ATOM 27063 C CG . GLU A 1 92 ? 0.073 -11.360 -1.091 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 17 -ATOM 27064 C CD . GLU A 1 92 ? -0.237 -12.595 -1.888 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 17 -ATOM 27065 O OE1 . GLU A 1 92 ? -1.416 -12.833 -2.199 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 17 -ATOM 27066 O OE2 . GLU A 1 92 ? 0.679 -13.346 -2.235 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 17 -ATOM 27067 H H . GLU A 1 92 ? 0.208 -12.227 2.825 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 17 -ATOM 27068 H HA . GLU A 1 92 ? 1.071 -13.487 0.479 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 17 -ATOM 27069 H HB2 . GLU A 1 92 ? -0.928 -12.018 0.658 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 17 -ATOM 27070 H HB3 . GLU A 1 92 ? 0.122 -10.638 0.905 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 17 -ATOM 27071 H HG2 . GLU A 1 92 ? -0.654 -10.602 -1.342 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 17 -ATOM 27072 H HG3 . GLU A 1 92 ? 1.057 -11.008 -1.361 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 17 -ATOM 27073 N N . ALA A 1 93 ? 2.758 -10.818 1.411 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 17 -ATOM 27074 C CA . ALA A 1 93 ? 3.968 -10.050 1.258 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 17 -ATOM 27075 C C . ALA A 1 93 ? 5.211 -10.768 1.814 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 17 -ATOM 27076 O O . ALA A 1 93 ? 6.208 -10.924 1.107 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 17 -ATOM 27077 C CB . ALA A 1 93 ? 3.797 -8.690 1.913 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 17 -ATOM 27078 H H . ALA A 1 93 ? 2.088 -10.517 2.062 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 17 -ATOM 27079 H HA . ALA A 1 93 ? 4.102 -9.883 0.200 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 17 -ATOM 27080 H HB1 . ALA A 1 93 ? 2.922 -8.202 1.509 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 17 -ATOM 27081 H HB2 . ALA A 1 93 ? 4.670 -8.085 1.719 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 17 -ATOM 27082 H HB3 . ALA A 1 93 ? 3.678 -8.821 2.977 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 17 -ATOM 27083 N N . VAL A 1 94 ? 5.145 -11.237 3.054 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 17 -ATOM 27084 C CA . VAL A 1 94 ? 6.323 -11.823 3.706 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 17 -ATOM 27085 C C . VAL A 1 94 ? 6.779 -13.141 3.046 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 17 -ATOM 27086 O O . VAL A 1 94 ? 7.980 -13.425 2.987 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 17 -ATOM 27087 C CB . VAL A 1 94 ? 6.165 -11.966 5.257 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 17 -ATOM 27088 C CG1 . VAL A 1 94 ? 5.093 -12.956 5.638 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 17 -ATOM 27089 C CG2 . VAL A 1 94 ? 7.487 -12.306 5.925 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 17 -ATOM 27090 H H . VAL A 1 94 ? 4.289 -11.179 3.539 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 17 -ATOM 27091 H HA . VAL A 1 94 ? 7.119 -11.116 3.514 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 17 -ATOM 27092 H HB . VAL A 1 94 ? 5.846 -11.002 5.629 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 17 -ATOM 27093 H HG11 . VAL A 1 94 ? 5.340 -13.921 5.223 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 17 -ATOM 27094 H HG12 . VAL A 1 94 ? 4.158 -12.606 5.230 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 17 -ATOM 27095 H HG13 . VAL A 1 94 ? 5.022 -13.023 6.713 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 17 -ATOM 27096 H HG21 . VAL A 1 94 ? 8.199 -11.513 5.744 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 17 -ATOM 27097 H HG22 . VAL A 1 94 ? 7.868 -13.228 5.511 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 17 -ATOM 27098 H HG23 . VAL A 1 94 ? 7.337 -12.423 6.989 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 17 -ATOM 27099 N N . LYS A 1 95 ? 5.840 -13.947 2.547 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 17 -ATOM 27100 C CA . LYS A 1 95 ? 6.228 -15.145 1.799 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 17 -ATOM 27101 C C . LYS A 1 95 ? 6.651 -14.800 0.375 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 17 -ATOM 27102 O O . LYS A 1 95 ? 7.232 -15.630 -0.322 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 17 -ATOM 27103 C CB . LYS A 1 95 ? 5.148 -16.251 1.750 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 17 -ATOM 27104 C CG . LYS A 1 95 ? 5.020 -17.167 2.979 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 17 -ATOM 27105 C CD . LYS A 1 95 ? 4.215 -16.574 4.124 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 17 -ATOM 27106 C CE . LYS A 1 95 ? 3.966 -17.639 5.196 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 17 -ATOM 27107 N NZ . LYS A 1 95 ? 3.017 -17.197 6.251 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 17 -ATOM 27108 H H . LYS A 1 95 ? 4.888 -13.740 2.671 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 17 -ATOM 27109 H HA . LYS A 1 95 ? 7.102 -15.537 2.298 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 17 -ATOM 27110 H HB2 . LYS A 1 95 ? 4.190 -15.775 1.603 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 17 -ATOM 27111 H HB3 . LYS A 1 95 ? 5.347 -16.871 0.889 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 17 -ATOM 27112 H HG2 . LYS A 1 95 ? 4.548 -18.090 2.679 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 17 -ATOM 27113 H HG3 . LYS A 1 95 ? 6.016 -17.392 3.331 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 17 -ATOM 27114 H HD2 . LYS A 1 95 ? 4.774 -15.758 4.557 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 17 -ATOM 27115 H HD3 . LYS A 1 95 ? 3.267 -16.212 3.756 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 17 -ATOM 27116 H HE2 . LYS A 1 95 ? 3.562 -18.521 4.721 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 17 -ATOM 27117 H HE3 . LYS A 1 95 ? 4.912 -17.889 5.653 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 17 -ATOM 27118 H HZ1 . LYS A 1 95 ? 3.334 -16.340 6.748 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 17 -ATOM 27119 H HZ2 . LYS A 1 95 ? 2.927 -17.931 6.981 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 17 -ATOM 27120 H HZ3 . LYS A 1 95 ? 2.062 -17.034 5.873 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 17 -ATOM 27121 N N . ARG A 1 96 ? 6.356 -13.584 -0.057 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 17 -ATOM 27122 C CA . ARG A 1 96 ? 6.628 -13.190 -1.423 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 17 -ATOM 27123 C C . ARG A 1 96 ? 8.060 -12.729 -1.574 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 17 -ATOM 27124 O O . ARG A 1 96 ? 8.750 -13.121 -2.529 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 17 -ATOM 27125 C CB . ARG A 1 96 ? 5.694 -12.087 -1.849 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 17 -ATOM 27126 C CG . ARG A 1 96 ? 5.644 -11.890 -3.328 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 17 -ATOM 27127 C CD . ARG A 1 96 ? 4.707 -10.778 -3.681 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 17 -ATOM 27128 N NE . ARG A 1 96 ? 4.373 -10.805 -5.090 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 17 -ATOM 27129 C CZ . ARG A 1 96 ? 3.899 -9.783 -5.773 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 17 -ATOM 27130 N NH1 . ARG A 1 96 ? 4.017 -8.542 -5.305 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 17 -ATOM 27131 N NH2 . ARG A 1 96 ? 3.391 -9.987 -6.964 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 17 -ATOM 27132 H H . ARG A 1 96 ? 5.957 -12.934 0.560 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 17 -ATOM 27133 H HA . ARG A 1 96 ? 6.459 -14.047 -2.057 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 17 -ATOM 27134 H HB2 . ARG A 1 96 ? 4.698 -12.323 -1.503 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 17 -ATOM 27135 H HB3 . ARG A 1 96 ? 6.012 -11.162 -1.391 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 17 -ATOM 27136 H HG2 . ARG A 1 96 ? 6.636 -11.643 -3.676 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 17 -ATOM 27137 H HG3 . ARG A 1 96 ? 5.309 -12.802 -3.798 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 17 -ATOM 27138 H HD2 . ARG A 1 96 ? 3.801 -10.884 -3.102 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 17 -ATOM 27139 H HD3 . ARG A 1 96 ? 5.176 -9.835 -3.449 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 17 -ATOM 27140 H HE . ARG A 1 96 ? 4.430 -11.702 -5.493 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 17 -ATOM 27141 H HH11 . ARG A 1 96 ? 4.476 -8.341 -4.435 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 17 -ATOM 27142 H HH12 . ARG A 1 96 ? 3.648 -7.766 -5.816 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 17 -ATOM 27143 H HH21 . ARG A 1 96 ? 3.366 -10.896 -7.389 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 17 -ATOM 27144 H HH22 . ARG A 1 96 ? 2.942 -9.245 -7.484 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 17 -ATOM 27145 N N . ILE A 1 97 ? 8.512 -11.891 -0.652 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 17 -ATOM 27146 C CA . ILE A 1 97 ? 9.891 -11.448 -0.664 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 17 -ATOM 27147 C C . ILE A 1 97 ? 10.749 -12.552 -0.066 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 17 -ATOM 27148 O O . ILE A 1 97 ? 10.961 -12.620 1.144 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 17 -ATOM 27149 C CB . ILE A 1 97 ? 10.155 -10.053 0.059 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 17 -ATOM 27150 C CG1 . ILE A 1 97 ? 9.466 -8.864 -0.667 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 17 -ATOM 27151 C CG2 . ILE A 1 97 ? 11.657 -9.762 0.166 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 17 -ATOM 27152 C CD1 . ILE A 1 97 ? 7.957 -8.814 -0.569 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 17 -ATOM 27153 H H . ILE A 1 97 ? 7.903 -11.576 0.050 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 17 -ATOM 27154 H HA . ILE A 1 97 ? 10.165 -11.371 -1.706 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 17 -ATOM 27155 H HB . ILE A 1 97 ? 9.765 -10.126 1.062 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 17 -ATOM 27156 H HG12 . ILE A 1 97 ? 9.839 -7.939 -0.252 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 17 -ATOM 27157 H HG13 . ILE A 1 97 ? 9.729 -8.905 -1.713 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 17 -ATOM 27158 H HG21 . ILE A 1 97 ? 12.134 -10.536 0.749 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 17 -ATOM 27159 H HG22 . ILE A 1 97 ? 11.808 -8.805 0.641 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 17 -ATOM 27160 H HG23 . ILE A 1 97 ? 12.089 -9.738 -0.823 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 17 -ATOM 27161 H HD11 . ILE A 1 97 ? 7.664 -8.745 0.468 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 17 -ATOM 27162 H HD12 . ILE A 1 97 ? 7.544 -9.713 -1.002 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 17 -ATOM 27163 H HD13 . ILE A 1 97 ? 7.589 -7.953 -1.107 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 17 -ATOM 27164 N N . LEU A 1 98 ? 11.121 -13.466 -0.910 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 17 -ATOM 27165 C CA . LEU A 1 98 ? 11.905 -14.596 -0.550 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 17 -ATOM 27166 C C . LEU A 1 98 ? 12.530 -15.127 -1.821 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 17 -ATOM 27167 O O . LEU A 1 98 ? 11.849 -15.850 -2.575 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 17 -ATOM 27168 C CB . LEU A 1 98 ? 11.020 -15.672 0.118 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 17 -ATOM 27169 C CG . LEU A 1 98 ? 11.740 -16.890 0.702 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 17 -ATOM 27170 C CD1 . LEU A 1 98 ? 12.668 -16.477 1.838 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 17 -ATOM 27171 C CD2 . LEU A 1 98 ? 10.728 -17.917 1.188 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 17 -ATOM 27172 O OXT . LEU A 1 98 ? 13.686 -14.784 -2.110 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 17 -ATOM 27173 H H . LEU A 1 98 ? 10.846 -13.393 -1.849 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 17 -ATOM 27174 H HA . LEU A 1 98 ? 12.677 -14.279 0.137 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 17 -ATOM 27175 H HB2 . LEU A 1 98 ? 10.469 -15.197 0.916 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 17 -ATOM 27176 H HB3 . LEU A 1 98 ? 10.312 -16.021 -0.618 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 17 -ATOM 27177 H HG . LEU A 1 98 ? 12.342 -17.346 -0.069 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 17 -ATOM 27178 H HD11 . LEU A 1 98 ? 13.412 -15.788 1.467 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 17 -ATOM 27179 H HD12 . LEU A 1 98 ? 13.158 -17.352 2.241 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 17 -ATOM 27180 H HD13 . LEU A 1 98 ? 12.092 -15.998 2.616 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 17 -ATOM 27181 H HD21 . LEU A 1 98 ? 10.100 -17.474 1.947 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 17 -ATOM 27182 H HD22 . LEU A 1 98 ? 11.251 -18.766 1.606 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 17 -ATOM 27183 H HD23 . LEU A 1 98 ? 10.118 -18.244 0.359 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 17 -ATOM 27184 N N . MET A 1 4 ? 10.629 15.980 -2.116 1.00 0.00 ? ? ? ? ? ? 1 MET A N 18 -ATOM 27185 C CA . MET A 1 4 ? 10.788 14.958 -3.140 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 18 -ATOM 27186 C C . MET A 1 4 ? 9.739 13.894 -2.948 1.00 0.00 ? ? ? ? ? ? 1 MET A C 18 -ATOM 27187 O O . MET A 1 4 ? 9.479 13.466 -1.824 1.00 0.00 ? ? ? ? ? ? 1 MET A O 18 -ATOM 27188 C CB . MET A 1 4 ? 12.190 14.352 -3.084 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 18 -ATOM 27189 C CG . MET A 1 4 ? 12.435 13.227 -4.079 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 18 -ATOM 27190 S SD . MET A 1 4 ? 12.197 13.746 -5.785 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 18 -ATOM 27191 C CE . MET A 1 4 ? 12.522 12.199 -6.639 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 18 -ATOM 27192 H H . MET A 1 4 ? 10.733 15.561 -1.172 1.00 0.00 ? ? ? ? ? ? 1 MET A H 18 -ATOM 27193 H HA . MET A 1 4 ? 10.631 15.415 -4.106 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 18 -ATOM 27194 H HB2 . MET A 1 4 ? 12.899 15.138 -3.293 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 18 -ATOM 27195 H HB3 . MET A 1 4 ? 12.357 13.972 -2.089 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 18 -ATOM 27196 H HG2 . MET A 1 4 ? 13.451 12.877 -3.970 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 18 -ATOM 27197 H HG3 . MET A 1 4 ? 11.750 12.419 -3.866 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 18 -ATOM 27198 H HE1 . MET A 1 4 ? 12.420 12.340 -7.705 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 18 -ATOM 27199 H HE2 . MET A 1 4 ? 11.819 11.450 -6.306 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 18 -ATOM 27200 H HE3 . MET A 1 4 ? 13.526 11.873 -6.414 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 18 -ATOM 27201 N N . ALA A 1 5 ? 9.158 13.461 -4.031 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 18 -ATOM 27202 C CA . ALA A 1 5 ? 8.096 12.491 -3.998 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 18 -ATOM 27203 C C . ALA A 1 5 ? 8.467 11.274 -4.822 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 18 -ATOM 27204 O O . ALA A 1 5 ? 9.256 11.370 -5.760 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 18 -ATOM 27205 C CB . ALA A 1 5 ? 6.801 13.108 -4.505 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 18 -ATOM 27206 H H . ALA A 1 5 ? 9.486 13.783 -4.899 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 18 -ATOM 27207 H HA . ALA A 1 5 ? 7.951 12.189 -2.970 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 18 -ATOM 27208 H HB1 . ALA A 1 5 ? 6.927 13.410 -5.534 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 18 -ATOM 27209 H HB2 . ALA A 1 5 ? 6.550 13.969 -3.903 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 18 -ATOM 27210 H HB3 . ALA A 1 5 ? 6.007 12.379 -4.440 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 18 -ATOM 27211 N N . TYR A 1 6 ? 7.905 10.148 -4.471 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 18 -ATOM 27212 C CA . TYR A 1 6 ? 8.168 8.884 -5.158 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 18 -ATOM 27213 C C . TYR A 1 6 ? 7.038 8.586 -6.129 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 18 -ATOM 27214 O O . TYR A 1 6 ? 6.016 9.275 -6.123 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 18 -ATOM 27215 C CB . TYR A 1 6 ? 8.260 7.722 -4.150 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 18 -ATOM 27216 C CG . TYR A 1 6 ? 9.427 7.755 -3.175 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 18 -ATOM 27217 C CD1 . TYR A 1 6 ? 9.692 8.873 -2.405 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 18 -ATOM 27218 C CD2 . TYR A 1 6 ? 10.246 6.646 -3.011 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 18 -ATOM 27219 C CE1 . TYR A 1 6 ? 10.726 8.893 -1.511 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 18 -ATOM 27220 C CE2 . TYR A 1 6 ? 11.285 6.657 -2.102 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 18 -ATOM 27221 C CZ . TYR A 1 6 ? 11.517 7.787 -1.356 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 18 -ATOM 27222 O OH . TYR A 1 6 ? 12.533 7.809 -0.434 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 18 -ATOM 27223 H H . TYR A 1 6 ? 7.275 10.159 -3.720 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 18 -ATOM 27224 H HA . TYR A 1 6 ? 9.103 8.965 -5.691 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 18 -ATOM 27225 H HB2 . TYR A 1 6 ? 7.359 7.712 -3.553 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 18 -ATOM 27226 H HB3 . TYR A 1 6 ? 8.313 6.796 -4.706 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 18 -ATOM 27227 H HD1 . TYR A 1 6 ? 9.069 9.747 -2.523 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 18 -ATOM 27228 H HD2 . TYR A 1 6 ? 10.059 5.761 -3.601 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 18 -ATOM 27229 H HE1 . TYR A 1 6 ? 10.907 9.779 -0.923 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 18 -ATOM 27230 H HE2 . TYR A 1 6 ? 11.914 5.788 -1.985 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 18 -ATOM 27231 H HH . TYR A 1 6 ? 13.287 7.304 -0.789 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 18 -ATOM 27232 N N . PHE A 1 7 ? 7.217 7.578 -6.944 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 18 -ATOM 27233 C CA . PHE A 1 7 ? 6.187 7.132 -7.865 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 18 -ATOM 27234 C C . PHE A 1 7 ? 5.323 6.100 -7.159 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 18 -ATOM 27235 O O . PHE A 1 7 ? 5.762 5.507 -6.195 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 18 -ATOM 27236 C CB . PHE A 1 7 ? 6.824 6.519 -9.121 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 18 -ATOM 27237 C CG . PHE A 1 7 ? 7.645 7.492 -9.920 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 18 -ATOM 27238 C CD1 . PHE A 1 7 ? 7.033 8.501 -10.644 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 18 -ATOM 27239 C CD2 . PHE A 1 7 ? 9.027 7.394 -9.950 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 18 -ATOM 27240 C CE1 . PHE A 1 7 ? 7.783 9.398 -11.379 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 18 -ATOM 27241 C CE2 . PHE A 1 7 ? 9.782 8.287 -10.685 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 18 -ATOM 27242 C CZ . PHE A 1 7 ? 9.159 9.290 -11.400 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 18 -ATOM 27243 H H . PHE A 1 7 ? 8.076 7.095 -6.924 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 18 -ATOM 27244 H HA . PHE A 1 7 ? 5.580 7.980 -8.141 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 18 -ATOM 27245 H HB2 . PHE A 1 7 ? 7.490 5.732 -8.802 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 18 -ATOM 27246 H HB3 . PHE A 1 7 ? 6.070 6.086 -9.760 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 18 -ATOM 27247 H HD1 . PHE A 1 7 ? 5.956 8.589 -10.626 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 18 -ATOM 27248 H HD2 . PHE A 1 7 ? 9.514 6.609 -9.389 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 18 -ATOM 27249 H HE1 . PHE A 1 7 ? 7.294 10.181 -11.940 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 18 -ATOM 27250 H HE2 . PHE A 1 7 ? 10.859 8.202 -10.700 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 18 -ATOM 27251 H HZ . PHE A 1 7 ? 9.746 9.990 -11.977 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 18 -ATOM 27252 N N . LEU A 1 8 ? 4.108 5.910 -7.602 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 18 -ATOM 27253 C CA . LEU A 1 8 ? 3.218 4.941 -6.976 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 18 -ATOM 27254 C C . LEU A 1 8 ? 2.693 3.977 -8.051 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 18 -ATOM 27255 O O . LEU A 1 8 ? 2.216 4.425 -9.105 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 18 -ATOM 27256 C CB . LEU A 1 8 ? 2.042 5.707 -6.301 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 18 -ATOM 27257 C CG . LEU A 1 8 ? 1.180 4.991 -5.219 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 18 -ATOM 27258 C CD1 . LEU A 1 8 ? 0.453 3.767 -5.732 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 18 -ATOM 27259 C CD2 . LEU A 1 8 ? 2.008 4.644 -4.004 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 18 -ATOM 27260 H H . LEU A 1 8 ? 3.775 6.436 -8.359 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 18 -ATOM 27261 H HA . LEU A 1 8 ? 3.769 4.394 -6.226 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 18 -ATOM 27262 H HB2 . LEU A 1 8 ? 2.449 6.598 -5.848 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 18 -ATOM 27263 H HB3 . LEU A 1 8 ? 1.382 6.021 -7.095 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 18 -ATOM 27264 H HG . LEU A 1 8 ? 0.419 5.687 -4.899 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 18 -ATOM 27265 H HD11 . LEU A 1 8 ? -0.281 4.059 -6.470 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 18 -ATOM 27266 H HD12 . LEU A 1 8 ? -0.020 3.261 -4.904 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 18 -ATOM 27267 H HD13 . LEU A 1 8 ? 1.172 3.101 -6.185 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 18 -ATOM 27268 H HD21 . LEU A 1 8 ? 2.822 4.000 -4.301 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 18 -ATOM 27269 H HD22 . LEU A 1 8 ? 1.387 4.124 -3.289 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 18 -ATOM 27270 H HD23 . LEU A 1 8 ? 2.396 5.547 -3.556 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 18 -ATOM 27271 N N . ASP A 1 9 ? 2.786 2.683 -7.798 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 18 -ATOM 27272 C CA . ASP A 1 9 ? 2.229 1.666 -8.705 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 18 -ATOM 27273 C C . ASP A 1 9 ? 1.587 0.570 -7.865 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 18 -ATOM 27274 O O . ASP A 1 9 ? 1.909 0.428 -6.679 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 18 -ATOM 27275 C CB . ASP A 1 9 ? 3.309 1.080 -9.648 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 18 -ATOM 27276 C CG . ASP A 1 9 ? 2.741 0.141 -10.721 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 18 -ATOM 27277 O OD1 . ASP A 1 9 ? 1.917 0.583 -11.547 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 18 -ATOM 27278 O OD2 . ASP A 1 9 ? 3.092 -1.040 -10.748 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 18 -ATOM 27279 H H . ASP A 1 9 ? 3.224 2.372 -6.972 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 18 -ATOM 27280 H HA . ASP A 1 9 ? 1.453 2.145 -9.286 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 18 -ATOM 27281 H HB2 . ASP A 1 9 ? 3.844 1.880 -10.139 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 18 -ATOM 27282 H HB3 . ASP A 1 9 ? 3.994 0.509 -9.040 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 18 -ATOM 27283 N N . PHE A 1 10 ? 0.682 -0.169 -8.446 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 18 -ATOM 27284 C CA . PHE A 1 10 ? -0.047 -1.211 -7.738 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 18 -ATOM 27285 C C . PHE A 1 10 ? 0.222 -2.552 -8.384 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 18 -ATOM 27286 O O . PHE A 1 10 ? 0.177 -2.675 -9.624 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 18 -ATOM 27287 C CB . PHE A 1 10 ? -1.567 -0.977 -7.805 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 18 -ATOM 27288 C CG . PHE A 1 10 ? -2.078 0.322 -7.250 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 18 -ATOM 27289 C CD1 . PHE A 1 10 ? -2.107 1.460 -8.037 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 18 -ATOM 27290 C CD2 . PHE A 1 10 ? -2.558 0.395 -5.961 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 18 -ATOM 27291 C CE1 . PHE A 1 10 ? -2.603 2.645 -7.549 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 18 -ATOM 27292 C CE2 . PHE A 1 10 ? -3.052 1.579 -5.462 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 18 -ATOM 27293 C CZ . PHE A 1 10 ? -3.074 2.707 -6.257 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 18 -ATOM 27294 H H . PHE A 1 10 ? 0.515 -0.039 -9.402 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 18 -ATOM 27295 H HA . PHE A 1 10 ? 0.261 -1.224 -6.704 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 18 -ATOM 27296 H HB2 . PHE A 1 10 ? -1.874 -1.017 -8.839 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 18 -ATOM 27297 H HB3 . PHE A 1 10 ? -2.056 -1.783 -7.276 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 18 -ATOM 27298 H HD1 . PHE A 1 10 ? -1.730 1.409 -9.047 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 18 -ATOM 27299 H HD2 . PHE A 1 10 ? -2.542 -0.486 -5.337 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 18 -ATOM 27300 H HE1 . PHE A 1 10 ? -2.618 3.523 -8.177 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 18 -ATOM 27301 H HE2 . PHE A 1 10 ? -3.422 1.625 -4.449 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 18 -ATOM 27302 H HZ . PHE A 1 10 ? -3.464 3.635 -5.867 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 18 -ATOM 27303 N N . ASP A 1 11 ? 0.503 -3.537 -7.572 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 18 -ATOM 27304 C CA . ASP A 1 11 ? 0.660 -4.913 -8.027 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 18 -ATOM 27305 C C . ASP A 1 11 ? -0.656 -5.460 -8.478 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 18 -ATOM 27306 O O . ASP A 1 11 ? -1.701 -4.976 -8.057 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 18 -ATOM 27307 C CB . ASP A 1 11 ? 1.227 -5.818 -6.945 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 18 -ATOM 27308 C CG . ASP A 1 11 ? 2.694 -5.628 -6.740 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 18 -ATOM 27309 O OD1 . ASP A 1 11 ? 3.486 -6.246 -7.488 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 18 -ATOM 27310 O OD2 . ASP A 1 11 ? 3.094 -4.902 -5.821 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 18 -ATOM 27311 H H . ASP A 1 11 ? 0.626 -3.356 -6.610 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 18 -ATOM 27312 H HA . ASP A 1 11 ? 1.337 -4.905 -8.867 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 18 -ATOM 27313 H HB2 . ASP A 1 11 ? 0.724 -5.613 -6.012 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 18 -ATOM 27314 H HB3 . ASP A 1 11 ? 1.049 -6.846 -7.223 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 18 -ATOM 27315 N N . GLU A 1 12 ? -0.615 -6.454 -9.338 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 18 -ATOM 27316 C CA . GLU A 1 12 ? -1.821 -7.091 -9.861 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 18 -ATOM 27317 C C . GLU A 1 12 ? -2.700 -7.621 -8.714 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 18 -ATOM 27318 O O . GLU A 1 12 ? -3.924 -7.519 -8.765 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 18 -ATOM 27319 C CB . GLU A 1 12 ? -1.491 -8.225 -10.879 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 18 -ATOM 27320 C CG . GLU A 1 12 ? -0.763 -9.469 -10.324 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 18 -ATOM 27321 C CD . GLU A 1 12 ? 0.621 -9.188 -9.782 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 18 -ATOM 27322 O OE1 . GLU A 1 12 ? 0.740 -8.813 -8.609 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 18 -ATOM 27323 O OE2 . GLU A 1 12 ? 1.606 -9.326 -10.534 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 18 -ATOM 27324 H H . GLU A 1 12 ? 0.263 -6.801 -9.604 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 18 -ATOM 27325 H HA . GLU A 1 12 ? -2.382 -6.320 -10.367 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 18 -ATOM 27326 H HB2 . GLU A 1 12 ? -2.422 -8.566 -11.306 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 18 -ATOM 27327 H HB3 . GLU A 1 12 ? -0.888 -7.803 -11.669 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 18 -ATOM 27328 H HG2 . GLU A 1 12 ? -1.355 -9.882 -9.520 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 18 -ATOM 27329 H HG3 . GLU A 1 12 ? -0.686 -10.199 -11.117 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 18 -ATOM 27330 N N . ARG A 1 13 ? -2.047 -8.131 -7.666 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 18 -ATOM 27331 C CA . ARG A 1 13 ? -2.729 -8.643 -6.471 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 18 -ATOM 27332 C C . ARG A 1 13 ? -3.544 -7.500 -5.844 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 18 -ATOM 27333 O O . ARG A 1 13 ? -4.762 -7.631 -5.582 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 18 -ATOM 27334 C CB . ARG A 1 13 ? -1.677 -9.136 -5.450 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 18 -ATOM 27335 C CG . ARG A 1 13 ? -0.603 -10.027 -6.055 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 18 -ATOM 27336 C CD . ARG A 1 13 ? 0.470 -10.419 -5.051 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 18 -ATOM 27337 N NE . ARG A 1 13 ? 1.657 -10.968 -5.734 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 18 -ATOM 27338 C CZ . ARG A 1 13 ? 2.415 -12.000 -5.318 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 18 -ATOM 27339 N NH1 . ARG A 1 13 ? 2.092 -12.680 -4.219 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 18 -ATOM 27340 N NH2 . ARG A 1 13 ? 3.494 -12.357 -6.032 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 18 -ATOM 27341 H H . ARG A 1 13 ? -1.065 -8.176 -7.734 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 18 -ATOM 27342 H HA . ARG A 1 13 ? -3.381 -9.457 -6.746 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 18 -ATOM 27343 H HB2 . ARG A 1 13 ? -1.196 -8.276 -5.007 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 18 -ATOM 27344 H HB3 . ARG A 1 13 ? -2.181 -9.691 -4.672 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 18 -ATOM 27345 H HG2 . ARG A 1 13 ? -1.068 -10.931 -6.421 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 18 -ATOM 27346 H HG3 . ARG A 1 13 ? -0.138 -9.508 -6.880 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 18 -ATOM 27347 H HD2 . ARG A 1 13 ? 0.755 -9.547 -4.481 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 18 -ATOM 27348 H HD3 . ARG A 1 13 ? 0.071 -11.172 -4.388 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 18 -ATOM 27349 H HE . ARG A 1 13 ? 1.882 -10.474 -6.557 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 18 -ATOM 27350 H HH11 . ARG A 1 13 ? 1.277 -12.465 -3.656 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 18 -ATOM 27351 H HH12 . ARG A 1 13 ? 2.625 -13.464 -3.891 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 18 -ATOM 27352 H HH21 . ARG A 1 13 ? 3.760 -11.870 -6.868 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 18 -ATOM 27353 H HH22 . ARG A 1 13 ? 4.071 -13.142 -5.789 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 18 -ATOM 27354 N N . ALA A 1 14 ? -2.877 -6.369 -5.681 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 18 -ATOM 27355 C CA . ALA A 1 14 ? -3.458 -5.170 -5.118 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 18 -ATOM 27356 C C . ALA A 1 14 ? -4.508 -4.572 -6.028 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 18 -ATOM 27357 O O . ALA A 1 14 ? -5.485 -4.053 -5.557 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 18 -ATOM 27358 C CB . ALA A 1 14 ? -2.391 -4.142 -4.824 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 18 -ATOM 27359 H H . ALA A 1 14 ? -1.936 -6.335 -5.950 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 18 -ATOM 27360 H HA . ALA A 1 14 ? -3.926 -5.440 -4.182 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 18 -ATOM 27361 H HB1 . ALA A 1 14 ? -1.921 -3.836 -5.746 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 18 -ATOM 27362 H HB2 . ALA A 1 14 ? -1.648 -4.574 -4.168 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 18 -ATOM 27363 H HB3 . ALA A 1 14 ? -2.843 -3.286 -4.347 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 18 -ATOM 27364 N N . LEU A 1 15 ? -4.308 -4.675 -7.340 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 18 -ATOM 27365 C CA . LEU A 1 15 ? -5.234 -4.110 -8.312 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 18 -ATOM 27366 C C . LEU A 1 15 ? -6.568 -4.778 -8.223 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 18 -ATOM 27367 O O . LEU A 1 15 ? -7.607 -4.129 -8.308 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 18 -ATOM 27368 C CB . LEU A 1 15 ? -4.684 -4.204 -9.734 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 18 -ATOM 27369 C CG . LEU A 1 15 ? -3.607 -3.187 -10.122 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 18 -ATOM 27370 C CD1 . LEU A 1 15 ? -3.056 -3.505 -11.502 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 18 -ATOM 27371 C CD2 . LEU A 1 15 ? -4.192 -1.774 -10.109 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 18 -ATOM 27372 H H . LEU A 1 15 ? -3.516 -5.156 -7.669 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 18 -ATOM 27373 H HA . LEU A 1 15 ? -5.364 -3.069 -8.060 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 18 -ATOM 27374 H HB2 . LEU A 1 15 ? -4.272 -5.194 -9.861 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 18 -ATOM 27375 H HB3 . LEU A 1 15 ? -5.517 -4.098 -10.410 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 18 -ATOM 27376 H HG . LEU A 1 15 ? -2.796 -3.224 -9.408 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 18 -ATOM 27377 H HD11 . LEU A 1 15 ? -2.618 -4.493 -11.501 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 18 -ATOM 27378 H HD12 . LEU A 1 15 ? -2.299 -2.779 -11.762 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 18 -ATOM 27379 H HD13 . LEU A 1 15 ? -3.857 -3.467 -12.225 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 18 -ATOM 27380 H HD21 . LEU A 1 15 ? -5.030 -1.728 -10.790 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 18 -ATOM 27381 H HD22 . LEU A 1 15 ? -3.439 -1.070 -10.430 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 18 -ATOM 27382 H HD23 . LEU A 1 15 ? -4.522 -1.516 -9.114 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 18 -ATOM 27383 N N . LYS A 1 16 ? -6.532 -6.061 -8.009 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 18 -ATOM 27384 C CA . LYS A 1 16 ? -7.720 -6.842 -7.855 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 18 -ATOM 27385 C C . LYS A 1 16 ? -8.463 -6.424 -6.603 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 18 -ATOM 27386 O O . LYS A 1 16 ? -9.681 -6.246 -6.632 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 18 -ATOM 27387 C CB . LYS A 1 16 ? -7.355 -8.297 -7.807 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 18 -ATOM 27388 C CG . LYS A 1 16 ? -6.763 -8.794 -9.100 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 18 -ATOM 27389 C CD . LYS A 1 16 ? -6.194 -10.166 -8.931 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 18 -ATOM 27390 C CE . LYS A 1 16 ? -5.655 -10.699 -10.236 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 18 -ATOM 27391 N NZ . LYS A 1 16 ? -5.231 -12.100 -10.111 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 18 -ATOM 27392 H H . LYS A 1 16 ? -5.653 -6.498 -7.958 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 18 -ATOM 27393 H HA . LYS A 1 16 ? -8.347 -6.666 -8.716 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 18 -ATOM 27394 H HB2 . LYS A 1 16 ? -6.632 -8.443 -7.019 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 18 -ATOM 27395 H HB3 . LYS A 1 16 ? -8.241 -8.872 -7.591 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 18 -ATOM 27396 H HG2 . LYS A 1 16 ? -7.534 -8.823 -9.855 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 18 -ATOM 27397 H HG3 . LYS A 1 16 ? -5.978 -8.118 -9.408 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 18 -ATOM 27398 H HD2 . LYS A 1 16 ? -5.372 -10.057 -8.235 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 18 -ATOM 27399 H HD3 . LYS A 1 16 ? -6.943 -10.832 -8.530 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 18 -ATOM 27400 H HE2 . LYS A 1 16 ? -6.425 -10.630 -10.990 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 18 -ATOM 27401 H HE3 . LYS A 1 16 ? -4.808 -10.099 -10.532 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 18 -ATOM 27402 H HZ1 . LYS A 1 16 ? -4.807 -12.443 -10.995 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 18 -ATOM 27403 H HZ2 . LYS A 1 16 ? -6.053 -12.701 -9.892 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 18 -ATOM 27404 H HZ3 . LYS A 1 16 ? -4.542 -12.210 -9.341 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 18 -ATOM 27405 N N . GLU A 1 17 ? -7.727 -6.224 -5.518 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 18 -ATOM 27406 C CA . GLU A 1 17 ? -8.332 -5.777 -4.274 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 18 -ATOM 27407 C C . GLU A 1 17 ? -8.824 -4.326 -4.386 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 18 -ATOM 27408 O O . GLU A 1 17 ? -9.844 -3.974 -3.854 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 18 -ATOM 27409 C CB . GLU A 1 17 ? -7.399 -5.956 -3.082 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 18 -ATOM 27410 C CG . GLU A 1 17 ? -6.914 -7.376 -2.906 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 18 -ATOM 27411 C CD . GLU A 1 17 ? -6.327 -7.657 -1.545 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 18 -ATOM 27412 O OE1 . GLU A 1 17 ? -5.258 -7.122 -1.203 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 18 -ATOM 27413 O OE2 . GLU A 1 17 ? -6.940 -8.464 -0.795 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 18 -ATOM 27414 H H . GLU A 1 17 ? -6.759 -6.390 -5.550 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 18 -ATOM 27415 H HA . GLU A 1 17 ? -9.202 -6.400 -4.134 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 18 -ATOM 27416 H HB2 . GLU A 1 17 ? -6.538 -5.320 -3.220 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 18 -ATOM 27417 H HB3 . GLU A 1 17 ? -7.918 -5.658 -2.182 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 18 -ATOM 27418 H HG2 . GLU A 1 17 ? -7.744 -8.049 -3.059 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 18 -ATOM 27419 H HG3 . GLU A 1 17 ? -6.158 -7.567 -3.653 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 18 -ATOM 27420 N N . TRP A 1 18 ? -8.088 -3.515 -5.100 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 18 -ATOM 27421 C CA . TRP A 1 18 ? -8.416 -2.106 -5.340 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 18 -ATOM 27422 C C . TRP A 1 18 ? -9.725 -2.003 -6.156 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 18 -ATOM 27423 O O . TRP A 1 18 ? -10.555 -1.111 -5.936 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 18 -ATOM 27424 C CB . TRP A 1 18 ? -7.230 -1.477 -6.097 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 18 -ATOM 27425 C CG . TRP A 1 18 ? -7.274 -0.001 -6.321 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 18 -ATOM 27426 C CD1 . TRP A 1 18 ? -7.643 0.648 -7.463 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 18 -ATOM 27427 C CD2 . TRP A 1 18 ? -6.892 1.013 -5.386 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 18 -ATOM 27428 N NE1 . TRP A 1 18 ? -7.517 2.006 -7.289 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 18 -ATOM 27429 C CE2 . TRP A 1 18 ? -7.059 2.254 -6.023 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 18 -ATOM 27430 C CE3 . TRP A 1 18 ? -6.428 0.988 -4.065 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 18 -ATOM 27431 C CZ2 . TRP A 1 18 ? -6.776 3.461 -5.389 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 18 -ATOM 27432 C CZ3 . TRP A 1 18 ? -6.149 2.185 -3.441 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 18 -ATOM 27433 C CH2 . TRP A 1 18 ? -6.322 3.404 -4.101 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 18 -ATOM 27434 H H . TRP A 1 18 ? -7.248 -3.869 -5.470 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 18 -ATOM 27435 H HA . TRP A 1 18 ? -8.548 -1.605 -4.389 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 18 -ATOM 27436 H HB2 . TRP A 1 18 ? -6.325 -1.681 -5.548 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 18 -ATOM 27437 H HB3 . TRP A 1 18 ? -7.156 -1.959 -7.060 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 18 -ATOM 27438 H HD1 . TRP A 1 18 ? -7.978 0.147 -8.360 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 18 -ATOM 27439 H HE1 . TRP A 1 18 ? -7.716 2.697 -7.955 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 18 -ATOM 27440 H HE3 . TRP A 1 18 ? -6.289 0.057 -3.537 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 18 -ATOM 27441 H HZ2 . TRP A 1 18 ? -6.906 4.413 -5.883 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 18 -ATOM 27442 H HZ3 . TRP A 1 18 ? -5.789 2.190 -2.424 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 18 -ATOM 27443 H HH2 . TRP A 1 18 ? -6.089 4.314 -3.568 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 18 -ATOM 27444 N N . ARG A 1 19 ? -9.890 -2.913 -7.108 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 18 -ATOM 27445 C CA . ARG A 1 19 ? -11.123 -3.005 -7.894 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 18 -ATOM 27446 C C . ARG A 1 19 ? -12.238 -3.630 -7.064 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 18 -ATOM 27447 O O . ARG A 1 19 ? -13.417 -3.419 -7.325 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 18 -ATOM 27448 C CB . ARG A 1 19 ? -10.914 -3.821 -9.166 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 18 -ATOM 27449 C CG . ARG A 1 19 ? -9.965 -3.198 -10.169 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 18 -ATOM 27450 C CD . ARG A 1 19 ? -9.758 -4.111 -11.365 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 18 -ATOM 27451 N NE . ARG A 1 19 ? -11.002 -4.348 -12.117 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 18 -ATOM 27452 C CZ . ARG A 1 19 ? -11.115 -5.154 -13.189 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 18 -ATOM 27453 N NH1 . ARG A 1 19 ? -10.069 -5.869 -13.605 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 18 -ATOM 27454 N NH2 . ARG A 1 19 ? -12.284 -5.259 -13.822 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 18 -ATOM 27455 H H . ARG A 1 19 ? -9.145 -3.528 -7.299 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 18 -ATOM 27456 H HA . ARG A 1 19 ? -11.411 -1.997 -8.157 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 18 -ATOM 27457 H HB2 . ARG A 1 19 ? -10.519 -4.789 -8.891 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 18 -ATOM 27458 H HB3 . ARG A 1 19 ? -11.868 -3.965 -9.647 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 18 -ATOM 27459 H HG2 . ARG A 1 19 ? -10.377 -2.259 -10.508 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 18 -ATOM 27460 H HG3 . ARG A 1 19 ? -9.011 -3.023 -9.691 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 18 -ATOM 27461 H HD2 . ARG A 1 19 ? -9.024 -3.666 -12.020 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 18 -ATOM 27462 H HD3 . ARG A 1 19 ? -9.380 -5.055 -11.004 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 18 -ATOM 27463 H HE . ARG A 1 19 ? -11.785 -3.850 -11.788 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 18 -ATOM 27464 H HH11 . ARG A 1 19 ? -9.186 -5.828 -13.129 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 18 -ATOM 27465 H HH12 . ARG A 1 19 ? -10.109 -6.471 -14.406 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 18 -ATOM 27466 H HH21 . ARG A 1 19 ? -13.090 -4.749 -13.511 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 18 -ATOM 27467 H HH22 . ARG A 1 19 ? -12.413 -5.839 -14.632 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 18 -ATOM 27468 N N . LYS A 1 20 ? -11.847 -4.429 -6.104 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 18 -ATOM 27469 C CA . LYS A 1 20 ? -12.755 -5.079 -5.173 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 18 -ATOM 27470 C C . LYS A 1 20 ? -13.301 -4.041 -4.203 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 18 -ATOM 27471 O O . LYS A 1 20 ? -14.483 -4.053 -3.853 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 18 -ATOM 27472 C CB . LYS A 1 20 ? -11.972 -6.154 -4.422 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 18 -ATOM 27473 C CG . LYS A 1 20 ? -12.712 -6.906 -3.348 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 18 -ATOM 27474 C CD . LYS A 1 20 ? -11.775 -7.898 -2.679 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 18 -ATOM 27475 C CE . LYS A 1 20 ? -12.467 -8.666 -1.583 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 18 -ATOM 27476 N NZ . LYS A 1 20 ? -12.853 -7.811 -0.455 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 18 -ATOM 27477 H H . LYS A 1 20 ? -10.885 -4.605 -6.014 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 18 -ATOM 27478 H HA . LYS A 1 20 ? -13.562 -5.540 -5.721 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 18 -ATOM 27479 H HB2 . LYS A 1 20 ? -11.606 -6.877 -5.135 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 18 -ATOM 27480 H HB3 . LYS A 1 20 ? -11.121 -5.668 -3.967 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 18 -ATOM 27481 H HG2 . LYS A 1 20 ? -13.067 -6.201 -2.612 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 18 -ATOM 27482 H HG3 . LYS A 1 20 ? -13.542 -7.439 -3.785 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 18 -ATOM 27483 H HD2 . LYS A 1 20 ? -11.408 -8.597 -3.414 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 18 -ATOM 27484 H HD3 . LYS A 1 20 ? -10.939 -7.359 -2.258 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 18 -ATOM 27485 H HE2 . LYS A 1 20 ? -13.368 -9.079 -2.007 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 18 -ATOM 27486 H HE3 . LYS A 1 20 ? -11.821 -9.458 -1.237 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 18 -ATOM 27487 H HZ1 . LYS A 1 20 ? -13.455 -7.028 -0.770 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 18 -ATOM 27488 H HZ2 . LYS A 1 20 ? -12.015 -7.441 0.037 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 18 -ATOM 27489 H HZ3 . LYS A 1 20 ? -13.389 -8.374 0.238 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 18 -ATOM 27490 N N . LEU A 1 21 ? -12.424 -3.153 -3.793 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 18 -ATOM 27491 C CA . LEU A 1 21 ? -12.740 -2.072 -2.904 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 18 -ATOM 27492 C C . LEU A 1 21 ? -13.715 -1.112 -3.527 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 18 -ATOM 27493 O O . LEU A 1 21 ? -13.758 -0.942 -4.758 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 18 -ATOM 27494 C CB . LEU A 1 21 ? -11.477 -1.306 -2.521 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 18 -ATOM 27495 C CG . LEU A 1 21 ? -10.924 -1.540 -1.123 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 18 -ATOM 27496 C CD1 . LEU A 1 21 ? -10.615 -2.998 -0.870 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 18 -ATOM 27497 C CD2 . LEU A 1 21 ? -9.702 -0.687 -0.910 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 18 -ATOM 27498 H H . LEU A 1 21 ? -11.491 -3.236 -4.090 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 18 -ATOM 27499 H HA . LEU A 1 21 ? -13.149 -2.514 -2.010 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 18 -ATOM 27500 H HB2 . LEU A 1 21 ? -10.707 -1.568 -3.230 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 18 -ATOM 27501 H HB3 . LEU A 1 21 ? -11.689 -0.253 -2.626 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 18 -ATOM 27502 H HG . LEU A 1 21 ? -11.666 -1.224 -0.409 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 18 -ATOM 27503 H HD11 . LEU A 1 21 ? -10.226 -3.115 0.131 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 18 -ATOM 27504 H HD12 . LEU A 1 21 ? -9.886 -3.344 -1.588 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 18 -ATOM 27505 H HD13 . LEU A 1 21 ? -11.524 -3.569 -0.972 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 18 -ATOM 27506 H HD21 . LEU A 1 21 ? -9.313 -0.857 0.083 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 18 -ATOM 27507 H HD22 . LEU A 1 21 ? -9.986 0.351 -1.010 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 18 -ATOM 27508 H HD23 . LEU A 1 21 ? -8.950 -0.930 -1.645 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 18 -ATOM 27509 N N . GLY A 1 22 ? -14.479 -0.481 -2.684 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 18 -ATOM 27510 C CA . GLY A 1 22 ? -15.416 0.501 -3.121 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 18 -ATOM 27511 C C . GLY A 1 22 ? -14.694 1.747 -3.533 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 18 -ATOM 27512 O O . GLY A 1 22 ? -13.642 2.068 -2.955 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 18 -ATOM 27513 H H . GLY A 1 22 ? -14.377 -0.688 -1.732 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 18 -ATOM 27514 H HA2 . GLY A 1 22 ? -15.986 0.114 -3.952 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 18 -ATOM 27515 H HA3 . GLY A 1 22 ? -16.082 0.742 -2.308 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 18 -ATOM 27516 N N . SER A 1 23 ? -15.240 2.443 -4.506 1.00 0.00 ? ? ? ? ? ? 20 SER A N 18 -ATOM 27517 C CA . SER A 1 23 ? -14.658 3.641 -5.068 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 18 -ATOM 27518 C C . SER A 1 23 ? -14.280 4.658 -3.986 1.00 0.00 ? ? ? ? ? ? 20 SER A C 18 -ATOM 27519 O O . SER A 1 23 ? -13.157 5.091 -3.926 1.00 0.00 ? ? ? ? ? ? 20 SER A O 18 -ATOM 27520 C CB . SER A 1 23 ? -15.640 4.249 -6.060 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 18 -ATOM 27521 O OG . SER A 1 23 ? -16.011 3.285 -7.047 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 18 -ATOM 27522 H H . SER A 1 23 ? -16.096 2.145 -4.886 1.00 0.00 ? ? ? ? ? ? 20 SER A H 18 -ATOM 27523 H HA . SER A 1 23 ? -13.768 3.356 -5.610 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 18 -ATOM 27524 H HB2 . SER A 1 23 ? -16.524 4.572 -5.528 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 18 -ATOM 27525 H HB3 . SER A 1 23 ? -15.184 5.096 -6.551 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 18 -ATOM 27526 H HG . SER A 1 23 ? -15.702 3.636 -7.892 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 18 -ATOM 27527 N N . THR A 1 24 ? -15.199 4.943 -3.100 1.00 0.00 ? ? ? ? ? ? 21 THR A N 18 -ATOM 27528 C CA . THR A 1 24 ? -15.006 5.937 -2.053 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 18 -ATOM 27529 C C . THR A 1 24 ? -13.877 5.514 -1.098 1.00 0.00 ? ? ? ? ? ? 21 THR A C 18 -ATOM 27530 O O . THR A 1 24 ? -13.042 6.324 -0.699 1.00 0.00 ? ? ? ? ? ? 21 THR A O 18 -ATOM 27531 C CB . THR A 1 24 ? -16.326 6.117 -1.279 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 18 -ATOM 27532 O OG1 . THR A 1 24 ? -17.379 6.368 -2.231 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 18 -ATOM 27533 C CG2 . THR A 1 24 ? -16.255 7.283 -0.306 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 18 -ATOM 27534 H H . THR A 1 24 ? -16.046 4.454 -3.130 1.00 0.00 ? ? ? ? ? ? 21 THR A H 18 -ATOM 27535 H HA . THR A 1 24 ? -14.746 6.876 -2.520 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 18 -ATOM 27536 H HB . THR A 1 24 ? -16.538 5.205 -0.741 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 18 -ATOM 27537 H HG1 . THR A 1 24 ? -18.160 5.875 -1.951 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 18 -ATOM 27538 H HG21 . THR A 1 24 ? -15.436 7.131 0.382 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 18 -ATOM 27539 H HG22 . THR A 1 24 ? -17.183 7.336 0.243 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 18 -ATOM 27540 H HG23 . THR A 1 24 ? -16.111 8.201 -0.853 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 18 -ATOM 27541 N N . VAL A 1 25 ? -13.823 4.227 -0.813 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 18 -ATOM 27542 C CA . VAL A 1 25 ? -12.833 3.679 0.086 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 18 -ATOM 27543 C C . VAL A 1 25 ? -11.455 3.807 -0.542 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 18 -ATOM 27544 O O . VAL A 1 25 ? -10.504 4.296 0.082 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 18 -ATOM 27545 C CB . VAL A 1 25 ? -13.132 2.185 0.377 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 18 -ATOM 27546 C CG1 . VAL A 1 25 ? -12.056 1.573 1.250 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 18 -ATOM 27547 C CG2 . VAL A 1 25 ? -14.498 2.027 1.030 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 18 -ATOM 27548 H H . VAL A 1 25 ? -14.455 3.623 -1.254 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 18 -ATOM 27549 H HA . VAL A 1 25 ? -12.863 4.232 1.014 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 18 -ATOM 27550 H HB . VAL A 1 25 ? -13.142 1.654 -0.563 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 18 -ATOM 27551 H HG11 . VAL A 1 25 ? -12.013 2.102 2.190 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 18 -ATOM 27552 H HG12 . VAL A 1 25 ? -11.101 1.646 0.752 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 18 -ATOM 27553 H HG13 . VAL A 1 25 ? -12.289 0.535 1.436 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 18 -ATOM 27554 H HG21 . VAL A 1 25 ? -14.679 0.982 1.237 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 18 -ATOM 27555 H HG22 . VAL A 1 25 ? -15.261 2.400 0.364 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 18 -ATOM 27556 H HG23 . VAL A 1 25 ? -14.522 2.586 1.954 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 18 -ATOM 27557 N N . ARG A 1 26 ? -11.366 3.417 -1.788 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 18 -ATOM 27558 C CA . ARG A 1 26 ? -10.128 3.490 -2.495 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 18 -ATOM 27559 C C . ARG A 1 26 ? -9.697 4.940 -2.761 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 18 -ATOM 27560 O O . ARG A 1 26 ? -8.522 5.224 -2.765 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 18 -ATOM 27561 C CB . ARG A 1 26 ? -10.098 2.627 -3.751 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 18 -ATOM 27562 C CG . ARG A 1 26 ? -11.148 2.954 -4.759 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 18 -ATOM 27563 C CD . ARG A 1 26 ? -10.835 2.298 -6.067 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 18 -ATOM 27564 N NE . ARG A 1 26 ? -11.826 2.616 -7.088 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 18 -ATOM 27565 C CZ . ARG A 1 26 ? -12.552 1.715 -7.759 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 18 -ATOM 27566 N NH1 . ARG A 1 26 ? -12.434 0.408 -7.495 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 18 -ATOM 27567 N NH2 . ARG A 1 26 ? -13.404 2.126 -8.682 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 18 -ATOM 27568 H H . ARG A 1 26 ? -12.172 3.073 -2.237 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 18 -ATOM 27569 H HA . ARG A 1 26 ? -9.398 3.097 -1.799 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 18 -ATOM 27570 H HB2 . ARG A 1 26 ? -9.134 2.727 -4.226 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 18 -ATOM 27571 H HB3 . ARG A 1 26 ? -10.235 1.591 -3.465 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 18 -ATOM 27572 H HG2 . ARG A 1 26 ? -12.071 2.534 -4.384 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 18 -ATOM 27573 H HG3 . ARG A 1 26 ? -11.284 4.022 -4.866 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 18 -ATOM 27574 H HD2 . ARG A 1 26 ? -9.869 2.676 -6.373 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 18 -ATOM 27575 H HD3 . ARG A 1 26 ? -10.779 1.228 -5.928 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 18 -ATOM 27576 H HE . ARG A 1 26 ? -11.917 3.582 -7.264 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 18 -ATOM 27577 H HH11 . ARG A 1 26 ? -11.803 0.039 -6.801 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 18 -ATOM 27578 H HH12 . ARG A 1 26 ? -12.994 -0.272 -7.978 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 18 -ATOM 27579 H HH21 . ARG A 1 26 ? -13.525 3.098 -8.905 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 18 -ATOM 27580 H HH22 . ARG A 1 26 ? -13.988 1.497 -9.202 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 18 -ATOM 27581 N N . GLU A 1 27 ? -10.653 5.847 -3.005 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 18 -ATOM 27582 C CA . GLU A 1 27 ? -10.339 7.272 -3.216 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 18 -ATOM 27583 C C . GLU A 1 27 ? -9.594 7.855 -2.028 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 18 -ATOM 27584 O O . GLU A 1 27 ? -8.618 8.586 -2.204 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 18 -ATOM 27585 C CB . GLU A 1 27 ? -11.589 8.100 -3.496 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 18 -ATOM 27586 C CG . GLU A 1 27 ? -12.277 7.749 -4.790 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 18 -ATOM 27587 C CD . GLU A 1 27 ? -13.490 8.584 -5.055 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 18 -ATOM 27588 O OE1 . GLU A 1 27 ? -14.315 8.785 -4.143 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 18 -ATOM 27589 O OE2 . GLU A 1 27 ? -13.643 9.078 -6.189 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 18 -ATOM 27590 H H . GLU A 1 27 ? -11.592 5.558 -3.062 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 18 -ATOM 27591 H HA . GLU A 1 27 ? -9.686 7.325 -4.075 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 18 -ATOM 27592 H HB2 . GLU A 1 27 ? -12.292 7.924 -2.694 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 18 -ATOM 27593 H HB3 . GLU A 1 27 ? -11.325 9.148 -3.518 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 18 -ATOM 27594 H HG2 . GLU A 1 27 ? -11.582 7.884 -5.606 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 18 -ATOM 27595 H HG3 . GLU A 1 27 ? -12.573 6.710 -4.747 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 18 -ATOM 27596 N N . GLN A 1 28 ? -10.030 7.506 -0.831 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 18 -ATOM 27597 C CA . GLN A 1 28 ? -9.364 7.972 0.384 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 18 -ATOM 27598 C C . GLN A 1 28 ? -7.969 7.394 0.497 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 18 -ATOM 27599 O O . GLN A 1 28 ? -7.027 8.091 0.883 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 18 -ATOM 27600 C CB . GLN A 1 28 ? -10.186 7.671 1.636 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 18 -ATOM 27601 C CG . GLN A 1 28 ? -11.108 8.804 2.077 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 18 -ATOM 27602 C CD . GLN A 1 28 ? -12.055 9.294 1.000 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 18 -ATOM 27603 O OE1 . GLN A 1 28 ? -11.733 10.211 0.242 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 18 -ATOM 27604 N NE2 . GLN A 1 28 ? -13.212 8.714 0.927 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 18 -ATOM 27605 H H . GLN A 1 28 ? -10.817 6.919 -0.769 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 18 -ATOM 27606 H HA . GLN A 1 28 ? -9.265 9.043 0.283 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 18 -ATOM 27607 H HB2 . GLN A 1 28 ? -10.793 6.799 1.449 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 18 -ATOM 27608 H HB3 . GLN A 1 28 ? -9.508 7.453 2.448 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 18 -ATOM 27609 H HG2 . GLN A 1 28 ? -11.696 8.449 2.909 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 18 -ATOM 27610 H HG3 . GLN A 1 28 ? -10.498 9.632 2.408 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 18 -ATOM 27611 H HE21 . GLN A 1 28 ? -13.423 7.997 1.564 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 18 -ATOM 27612 H HE22 . GLN A 1 28 ? -13.817 9.008 0.215 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 18 -ATOM 27613 N N . LEU A 1 29 ? -7.833 6.140 0.128 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 18 -ATOM 27614 C CA . LEU A 1 29 ? -6.540 5.484 0.138 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 18 -ATOM 27615 C C . LEU A 1 29 ? -5.621 6.109 -0.902 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 18 -ATOM 27616 O O . LEU A 1 29 ? -4.444 6.333 -0.642 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 18 -ATOM 27617 C CB . LEU A 1 29 ? -6.698 3.990 -0.099 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 18 -ATOM 27618 C CG . LEU A 1 29 ? -7.445 3.218 0.997 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 18 -ATOM 27619 C CD1 . LEU A 1 29 ? -7.592 1.769 0.617 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 18 -ATOM 27620 C CD2 . LEU A 1 29 ? -6.724 3.338 2.337 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 18 -ATOM 27621 H H . LEU A 1 29 ? -8.633 5.639 -0.146 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 18 -ATOM 27622 H HA . LEU A 1 29 ? -6.101 5.642 1.111 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 18 -ATOM 27623 H HB2 . LEU A 1 29 ? -7.236 3.872 -1.029 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 18 -ATOM 27624 H HB3 . LEU A 1 29 ? -5.714 3.563 -0.220 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 18 -ATOM 27625 H HG . LEU A 1 29 ? -8.439 3.625 1.110 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 18 -ATOM 27626 H HD11 . LEU A 1 29 ? -6.614 1.330 0.482 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 18 -ATOM 27627 H HD12 . LEU A 1 29 ? -8.152 1.693 -0.303 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 18 -ATOM 27628 H HD13 . LEU A 1 29 ? -8.116 1.242 1.400 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 18 -ATOM 27629 H HD21 . LEU A 1 29 ? -6.699 4.372 2.649 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 18 -ATOM 27630 H HD22 . LEU A 1 29 ? -5.713 2.973 2.234 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 18 -ATOM 27631 H HD23 . LEU A 1 29 ? -7.244 2.747 3.077 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 18 -ATOM 27632 N N . LYS A 1 30 ? -6.181 6.409 -2.068 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 18 -ATOM 27633 C CA . LYS A 1 30 ? -5.469 7.089 -3.142 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 18 -ATOM 27634 C C . LYS A 1 30 ? -4.904 8.424 -2.646 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 18 -ATOM 27635 O O . LYS A 1 30 ? -3.750 8.738 -2.899 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 18 -ATOM 27636 C CB . LYS A 1 30 ? -6.418 7.374 -4.304 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 18 -ATOM 27637 C CG . LYS A 1 30 ? -5.766 8.121 -5.462 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 18 -ATOM 27638 C CD . LYS A 1 30 ? -6.791 8.747 -6.403 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 18 -ATOM 27639 C CE . LYS A 1 30 ? -7.597 9.840 -5.696 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 18 -ATOM 27640 N NZ . LYS A 1 30 ? -8.486 10.560 -6.620 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 18 -ATOM 27641 H H . LYS A 1 30 ? -7.110 6.117 -2.216 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 18 -ATOM 27642 H HA . LYS A 1 30 ? -4.667 6.456 -3.490 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 18 -ATOM 27643 H HB2 . LYS A 1 30 ? -6.801 6.434 -4.673 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 18 -ATOM 27644 H HB3 . LYS A 1 30 ? -7.240 7.962 -3.928 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 18 -ATOM 27645 H HG2 . LYS A 1 30 ? -5.152 8.907 -5.048 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 18 -ATOM 27646 H HG3 . LYS A 1 30 ? -5.145 7.433 -6.015 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 18 -ATOM 27647 H HD2 . LYS A 1 30 ? -6.277 9.182 -7.248 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 18 -ATOM 27648 H HD3 . LYS A 1 30 ? -7.465 7.978 -6.750 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 18 -ATOM 27649 H HE2 . LYS A 1 30 ? -8.205 9.395 -4.923 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 18 -ATOM 27650 H HE3 . LYS A 1 30 ? -6.905 10.539 -5.250 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 18 -ATOM 27651 H HZ1 . LYS A 1 30 ? -7.921 11.074 -7.328 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 18 -ATOM 27652 H HZ2 . LYS A 1 30 ? -9.067 11.266 -6.129 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 18 -ATOM 27653 H HZ3 . LYS A 1 30 ? -9.129 9.932 -7.141 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 18 -ATOM 27654 N N . LYS A 1 31 ? -5.725 9.176 -1.910 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 18 -ATOM 27655 C CA . LYS A 1 31 ? -5.317 10.476 -1.349 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 18 -ATOM 27656 C C . LYS A 1 31 ? -4.148 10.297 -0.416 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 18 -ATOM 27657 O O . LYS A 1 31 ? -3.203 11.089 -0.415 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 18 -ATOM 27658 C CB . LYS A 1 31 ? -6.470 11.130 -0.594 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 18 -ATOM 27659 C CG . LYS A 1 31 ? -7.648 11.514 -1.458 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 18 -ATOM 27660 C CD . LYS A 1 31 ? -8.796 12.008 -0.606 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 18 -ATOM 27661 C CE . LYS A 1 31 ? -9.982 12.397 -1.456 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 18 -ATOM 27662 N NZ . LYS A 1 31 ? -11.158 12.719 -0.633 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 18 -ATOM 27663 H H . LYS A 1 31 ? -6.636 8.846 -1.746 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 18 -ATOM 27664 H HA . LYS A 1 31 ? -5.021 11.117 -2.167 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 18 -ATOM 27665 H HB2 . LYS A 1 31 ? -6.820 10.443 0.163 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 18 -ATOM 27666 H HB3 . LYS A 1 31 ? -6.100 12.022 -0.111 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 18 -ATOM 27667 H HG2 . LYS A 1 31 ? -7.347 12.296 -2.139 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 18 -ATOM 27668 H HG3 . LYS A 1 31 ? -7.970 10.647 -2.017 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 18 -ATOM 27669 H HD2 . LYS A 1 31 ? -9.095 11.225 0.074 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 18 -ATOM 27670 H HD3 . LYS A 1 31 ? -8.469 12.869 -0.043 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 18 -ATOM 27671 H HE2 . LYS A 1 31 ? -9.720 13.264 -2.044 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 18 -ATOM 27672 H HE3 . LYS A 1 31 ? -10.222 11.572 -2.112 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 18 -ATOM 27673 H HZ1 . LYS A 1 31 ? -11.436 11.872 -0.091 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 18 -ATOM 27674 H HZ2 . LYS A 1 31 ? -11.966 12.987 -1.231 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 18 -ATOM 27675 H HZ3 . LYS A 1 31 ? -10.956 13.488 0.035 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 18 -ATOM 27676 N N . LYS A 1 32 ? -4.201 9.225 0.351 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 18 -ATOM 27677 C CA . LYS A 1 32 ? -3.141 8.890 1.265 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 18 -ATOM 27678 C C . LYS A 1 32 ? -1.870 8.557 0.553 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 18 -ATOM 27679 O O . LYS A 1 32 ? -0.799 8.916 1.005 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 18 -ATOM 27680 C CB . LYS A 1 32 ? -3.528 7.785 2.227 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 18 -ATOM 27681 C CG . LYS A 1 32 ? -4.053 8.281 3.559 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 18 -ATOM 27682 C CD . LYS A 1 32 ? -5.285 9.127 3.418 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 18 -ATOM 27683 C CE . LYS A 1 32 ? -5.696 9.676 4.753 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 18 -ATOM 27684 N NZ . LYS A 1 32 ? -4.663 10.576 5.321 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 18 -ATOM 27685 H H . LYS A 1 32 ? -4.992 8.645 0.294 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 18 -ATOM 27686 H HA . LYS A 1 32 ? -2.962 9.786 1.832 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 18 -ATOM 27687 H HB2 . LYS A 1 32 ? -4.290 7.177 1.764 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 18 -ATOM 27688 H HB3 . LYS A 1 32 ? -2.655 7.177 2.402 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 18 -ATOM 27689 H HG2 . LYS A 1 32 ? -4.296 7.433 4.180 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 18 -ATOM 27690 H HG3 . LYS A 1 32 ? -3.279 8.862 4.040 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 18 -ATOM 27691 H HD2 . LYS A 1 32 ? -5.078 9.945 2.743 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 18 -ATOM 27692 H HD3 . LYS A 1 32 ? -6.086 8.520 3.022 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 18 -ATOM 27693 H HE2 . LYS A 1 32 ? -6.632 10.200 4.643 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 18 -ATOM 27694 H HE3 . LYS A 1 32 ? -5.811 8.822 5.407 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 18 -ATOM 27695 H HZ1 . LYS A 1 32 ? -3.833 10.032 5.628 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 18 -ATOM 27696 H HZ2 . LYS A 1 32 ? -5.027 11.132 6.120 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 18 -ATOM 27697 H HZ3 . LYS A 1 32 ? -4.329 11.247 4.591 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 18 -ATOM 27698 N N . LEU A 1 33 ? -1.992 7.898 -0.558 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 18 -ATOM 27699 C CA . LEU A 1 33 ? -0.851 7.560 -1.359 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 18 -ATOM 27700 C C . LEU A 1 33 ? -0.229 8.824 -1.915 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 18 -ATOM 27701 O O . LEU A 1 33 ? 0.975 8.989 -1.892 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 18 -ATOM 27702 C CB . LEU A 1 33 ? -1.259 6.624 -2.488 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 18 -ATOM 27703 C CG . LEU A 1 33 ? -1.901 5.311 -2.048 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 18 -ATOM 27704 C CD1 . LEU A 1 33 ? -2.334 4.502 -3.246 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 18 -ATOM 27705 C CD2 . LEU A 1 33 ? -0.953 4.512 -1.167 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 18 -ATOM 27706 H H . LEU A 1 33 ? -2.889 7.613 -0.839 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 18 -ATOM 27707 H HA . LEU A 1 33 ? -0.136 7.057 -0.725 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 18 -ATOM 27708 H HB2 . LEU A 1 33 ? -1.956 7.151 -3.123 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 18 -ATOM 27709 H HB3 . LEU A 1 33 ? -0.375 6.391 -3.062 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 18 -ATOM 27710 H HG . LEU A 1 33 ? -2.786 5.537 -1.472 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 18 -ATOM 27711 H HD11 . LEU A 1 33 ? -2.776 3.572 -2.915 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 18 -ATOM 27712 H HD12 . LEU A 1 33 ? -1.476 4.299 -3.868 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 18 -ATOM 27713 H HD13 . LEU A 1 33 ? -3.061 5.062 -3.815 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 18 -ATOM 27714 H HD21 . LEU A 1 33 ? -1.415 3.571 -0.914 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 18 -ATOM 27715 H HD22 . LEU A 1 33 ? -0.756 5.067 -0.262 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 18 -ATOM 27716 H HD23 . LEU A 1 33 ? -0.025 4.333 -1.690 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 18 -ATOM 27717 N N . VAL A 1 34 ? -1.077 9.738 -2.349 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 18 -ATOM 27718 C CA . VAL A 1 34 ? -0.634 10.995 -2.925 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 18 -ATOM 27719 C C . VAL A 1 34 ? 0.093 11.861 -1.878 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 18 -ATOM 27720 O O . VAL A 1 34 ? 1.174 12.412 -2.162 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 18 -ATOM 27721 C CB . VAL A 1 34 ? -1.828 11.786 -3.541 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 18 -ATOM 27722 C CG1 . VAL A 1 34 ? -1.383 13.116 -4.113 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 18 -ATOM 27723 C CG2 . VAL A 1 34 ? -2.509 10.968 -4.618 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 18 -ATOM 27724 H H . VAL A 1 34 ? -2.039 9.552 -2.276 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 18 -ATOM 27725 H HA . VAL A 1 34 ? 0.062 10.750 -3.714 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 18 -ATOM 27726 H HB . VAL A 1 34 ? -2.552 11.979 -2.764 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 18 -ATOM 27727 H HG11 . VAL A 1 34 ? -0.651 12.949 -4.889 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 18 -ATOM 27728 H HG12 . VAL A 1 34 ? -0.949 13.704 -3.318 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 18 -ATOM 27729 H HG13 . VAL A 1 34 ? -2.243 13.625 -4.520 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 18 -ATOM 27730 H HG21 . VAL A 1 34 ? -3.325 11.535 -5.039 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 18 -ATOM 27731 H HG22 . VAL A 1 34 ? -2.894 10.069 -4.156 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 18 -ATOM 27732 H HG23 . VAL A 1 34 ? -1.796 10.712 -5.387 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 18 -ATOM 27733 N N . GLU A 1 35 ? -0.473 11.955 -0.670 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 18 -ATOM 27734 C CA . GLU A 1 35 ? 0.164 12.723 0.389 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 18 -ATOM 27735 C C . GLU A 1 35 ? 1.454 12.041 0.861 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 18 -ATOM 27736 O O . GLU A 1 35 ? 2.509 12.683 0.958 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 18 -ATOM 27737 C CB . GLU A 1 35 ? -0.786 13.015 1.588 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 18 -ATOM 27738 C CG . GLU A 1 35 ? -1.343 11.781 2.270 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 18 -ATOM 27739 C CD . GLU A 1 35 ? -2.087 12.056 3.561 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 18 -ATOM 27740 O OE1 . GLU A 1 35 ? -1.437 12.125 4.630 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 18 -ATOM 27741 O OE2 . GLU A 1 35 ? -3.338 12.164 3.551 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 18 -ATOM 27742 H H . GLU A 1 35 ? -1.340 11.519 -0.508 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 18 -ATOM 27743 H HA . GLU A 1 35 ? 0.438 13.661 -0.070 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 18 -ATOM 27744 H HB2 . GLU A 1 35 ? -0.253 13.594 2.327 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 18 -ATOM 27745 H HB3 . GLU A 1 35 ? -1.616 13.599 1.218 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 18 -ATOM 27746 H HG2 . GLU A 1 35 ? -2.032 11.349 1.562 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 18 -ATOM 27747 H HG3 . GLU A 1 35 ? -0.535 11.088 2.454 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 18 -ATOM 27748 N N . VAL A 1 36 ? 1.384 10.726 1.042 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 18 -ATOM 27749 C CA . VAL A 1 36 ? 2.468 9.950 1.608 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 18 -ATOM 27750 C C . VAL A 1 36 ? 3.722 9.997 0.745 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 18 -ATOM 27751 O O . VAL A 1 36 ? 4.789 9.915 1.253 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 18 -ATOM 27752 C CB . VAL A 1 36 ? 2.076 8.479 1.960 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 18 -ATOM 27753 C CG1 . VAL A 1 36 ? 2.204 7.514 0.780 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 18 -ATOM 27754 C CG2 . VAL A 1 36 ? 2.830 7.994 3.187 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 18 -ATOM 27755 H H . VAL A 1 36 ? 0.559 10.252 0.793 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 18 -ATOM 27756 H HA . VAL A 1 36 ? 2.722 10.456 2.530 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 18 -ATOM 27757 H HB . VAL A 1 36 ? 1.025 8.502 2.212 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 18 -ATOM 27758 H HG11 . VAL A 1 36 ? 1.877 6.528 1.075 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 18 -ATOM 27759 H HG12 . VAL A 1 36 ? 3.238 7.472 0.473 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 18 -ATOM 27760 H HG13 . VAL A 1 36 ? 1.605 7.870 -0.045 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 18 -ATOM 27761 H HG21 . VAL A 1 36 ? 2.629 6.947 3.360 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 18 -ATOM 27762 H HG22 . VAL A 1 36 ? 2.500 8.564 4.043 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 18 -ATOM 27763 H HG23 . VAL A 1 36 ? 3.887 8.152 3.049 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 18 -ATOM 27764 N N . LEU A 1 37 ? 3.564 10.146 -0.563 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 18 -ATOM 27765 C CA . LEU A 1 37 ? 4.686 10.143 -1.512 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 18 -ATOM 27766 C C . LEU A 1 37 ? 5.800 11.147 -1.174 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 18 -ATOM 27767 O O . LEU A 1 37 ? 6.945 10.935 -1.581 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 18 -ATOM 27768 C CB . LEU A 1 37 ? 4.205 10.345 -2.954 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 18 -ATOM 27769 C CG . LEU A 1 37 ? 3.386 9.204 -3.560 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 18 -ATOM 27770 C CD1 . LEU A 1 37 ? 2.909 9.564 -4.954 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 18 -ATOM 27771 C CD2 . LEU A 1 37 ? 4.191 7.913 -3.588 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 18 -ATOM 27772 H H . LEU A 1 37 ? 2.653 10.244 -0.911 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 18 -ATOM 27773 H HA . LEU A 1 37 ? 5.128 9.159 -1.447 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 18 -ATOM 27774 H HB2 . LEU A 1 37 ? 3.600 11.239 -2.978 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 18 -ATOM 27775 H HB3 . LEU A 1 37 ? 5.067 10.509 -3.582 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 18 -ATOM 27776 H HG . LEU A 1 37 ? 2.510 9.042 -2.949 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 18 -ATOM 27777 H HD11 . LEU A 1 37 ? 3.762 9.743 -5.591 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 18 -ATOM 27778 H HD12 . LEU A 1 37 ? 2.297 10.452 -4.908 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 18 -ATOM 27779 H HD13 . LEU A 1 37 ? 2.325 8.750 -5.356 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 18 -ATOM 27780 H HD21 . LEU A 1 37 ? 4.422 7.600 -2.582 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 18 -ATOM 27781 H HD22 . LEU A 1 37 ? 5.111 8.082 -4.129 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 18 -ATOM 27782 H HD23 . LEU A 1 37 ? 3.624 7.144 -4.088 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 18 -ATOM 27783 N N . GLU A 1 38 ? 5.481 12.231 -0.455 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 18 -ATOM 27784 C CA . GLU A 1 38 ? 6.523 13.195 -0.068 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 18 -ATOM 27785 C C . GLU A 1 38 ? 7.444 12.600 1.013 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 18 -ATOM 27786 O O . GLU A 1 38 ? 8.619 12.966 1.127 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 18 -ATOM 27787 C CB . GLU A 1 38 ? 5.922 14.524 0.412 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 18 -ATOM 27788 C CG . GLU A 1 38 ? 5.029 14.416 1.636 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 18 -ATOM 27789 C CD . GLU A 1 38 ? 4.483 15.745 2.062 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 18 -ATOM 27790 O OE1 . GLU A 1 38 ? 3.532 16.240 1.421 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 18 -ATOM 27791 O OE2 . GLU A 1 38 ? 4.985 16.326 3.055 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 18 -ATOM 27792 H H . GLU A 1 38 ? 4.549 12.365 -0.167 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 18 -ATOM 27793 H HA . GLU A 1 38 ? 7.125 13.372 -0.948 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 18 -ATOM 27794 H HB2 . GLU A 1 38 ? 6.732 15.196 0.656 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 18 -ATOM 27795 H HB3 . GLU A 1 38 ? 5.347 14.955 -0.393 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 18 -ATOM 27796 H HG2 . GLU A 1 38 ? 4.201 13.760 1.410 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 18 -ATOM 27797 H HG3 . GLU A 1 38 ? 5.607 13.999 2.449 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 18 -ATOM 27798 N N . SER A 1 39 ? 6.905 11.692 1.797 1.00 0.00 ? ? ? ? ? ? 36 SER A N 18 -ATOM 27799 C CA . SER A 1 39 ? 7.627 11.015 2.848 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 18 -ATOM 27800 C C . SER A 1 39 ? 6.997 9.634 3.084 1.00 0.00 ? ? ? ? ? ? 36 SER A C 18 -ATOM 27801 O O . SER A 1 39 ? 6.254 9.445 4.019 1.00 0.00 ? ? ? ? ? ? 36 SER A O 18 -ATOM 27802 C CB . SER A 1 39 ? 7.618 11.848 4.144 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 18 -ATOM 27803 O OG . SER A 1 39 ? 8.192 13.149 3.935 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 18 -ATOM 27804 H H . SER A 1 39 ? 5.970 11.421 1.653 1.00 0.00 ? ? ? ? ? ? 36 SER A H 18 -ATOM 27805 H HA . SER A 1 39 ? 8.642 10.870 2.521 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 18 -ATOM 27806 H HB2 . SER A 1 39 ? 6.601 11.970 4.485 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 18 -ATOM 27807 H HB3 . SER A 1 39 ? 8.191 11.333 4.902 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 18 -ATOM 27808 H HG . SER A 1 39 ? 8.695 13.058 3.113 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 18 -ATOM 27809 N N . PRO A 1 40 ? 7.221 8.668 2.167 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 18 -ATOM 27810 C CA . PRO A 1 40 ? 6.605 7.341 2.268 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 18 -ATOM 27811 C C . PRO A 1 40 ? 7.246 6.482 3.334 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 18 -ATOM 27812 O O . PRO A 1 40 ? 6.689 5.469 3.748 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 18 -ATOM 27813 C CB . PRO A 1 40 ? 6.829 6.740 0.881 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 18 -ATOM 27814 C CG . PRO A 1 40 ? 8.055 7.410 0.383 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 18 -ATOM 27815 C CD . PRO A 1 40 ? 8.021 8.808 0.938 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 18 -ATOM 27816 H HA . PRO A 1 40 ? 5.547 7.409 2.465 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 18 -ATOM 27817 H HB2 . PRO A 1 40 ? 6.961 5.672 0.962 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 18 -ATOM 27818 H HB3 . PRO A 1 40 ? 5.980 6.955 0.248 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 18 -ATOM 27819 H HG2 . PRO A 1 40 ? 8.929 6.886 0.742 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 18 -ATOM 27820 H HG3 . PRO A 1 40 ? 8.050 7.435 -0.696 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 18 -ATOM 27821 H HD2 . PRO A 1 40 ? 9.016 9.167 1.158 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 18 -ATOM 27822 H HD3 . PRO A 1 40 ? 7.515 9.472 0.250 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 18 -ATOM 27823 N N . ARG A 1 41 ? 8.389 6.919 3.805 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 18 -ATOM 27824 C CA . ARG A 1 41 ? 9.153 6.193 4.781 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 18 -ATOM 27825 C C . ARG A 1 41 ? 8.735 6.528 6.219 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 18 -ATOM 27826 O O . ARG A 1 41 ? 9.541 6.552 7.124 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 18 -ATOM 27827 C CB . ARG A 1 41 ? 10.678 6.354 4.507 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 18 -ATOM 27828 C CG . ARG A 1 41 ? 11.252 7.789 4.405 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 18 -ATOM 27829 C CD . ARG A 1 41 ? 11.403 8.478 5.760 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 18 -ATOM 27830 N NE . ARG A 1 41 ? 12.188 7.653 6.703 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 18 -ATOM 27831 C CZ . ARG A 1 41 ? 12.141 7.756 8.046 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 18 -ATOM 27832 N NH1 . ARG A 1 41 ? 11.520 8.790 8.627 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 18 -ATOM 27833 N NH2 . ARG A 1 41 ? 12.738 6.835 8.801 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 18 -ATOM 27834 H H . ARG A 1 41 ? 8.719 7.781 3.477 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 18 -ATOM 27835 H HA . ARG A 1 41 ? 8.898 5.154 4.629 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 18 -ATOM 27836 H HB2 . ARG A 1 41 ? 11.214 5.859 5.301 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 18 -ATOM 27837 H HB3 . ARG A 1 41 ? 10.897 5.838 3.583 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 18 -ATOM 27838 H HG2 . ARG A 1 41 ? 12.218 7.751 3.927 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 18 -ATOM 27839 H HG3 . ARG A 1 41 ? 10.584 8.370 3.788 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 18 -ATOM 27840 H HD2 . ARG A 1 41 ? 11.895 9.428 5.611 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 18 -ATOM 27841 H HD3 . ARG A 1 41 ? 10.416 8.642 6.167 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 18 -ATOM 27842 H HE . ARG A 1 41 ? 12.712 6.939 6.275 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 18 -ATOM 27843 H HH11 . ARG A 1 41 ? 11.080 9.507 8.079 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 18 -ATOM 27844 H HH12 . ARG A 1 41 ? 11.470 8.888 9.623 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 18 -ATOM 27845 H HH21 . ARG A 1 41 ? 13.239 6.060 8.410 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 18 -ATOM 27846 H HH22 . ARG A 1 41 ? 12.676 6.857 9.811 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 18 -ATOM 27847 N N . ILE A 1 42 ? 7.452 6.641 6.441 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 18 -ATOM 27848 C CA . ILE A 1 42 ? 6.962 6.979 7.756 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 18 -ATOM 27849 C C . ILE A 1 42 ? 6.956 5.722 8.601 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 18 -ATOM 27850 O O . ILE A 1 42 ? 6.069 4.875 8.497 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 18 -ATOM 27851 C CB . ILE A 1 42 ? 5.549 7.637 7.702 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 18 -ATOM 27852 C CG1 . ILE A 1 42 ? 5.647 8.968 6.952 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 18 -ATOM 27853 C CG2 . ILE A 1 42 ? 4.986 7.854 9.108 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 18 -ATOM 27854 C CD1 . ILE A 1 42 ? 4.326 9.659 6.694 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 18 -ATOM 27855 H H . ILE A 1 42 ? 6.828 6.465 5.705 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 18 -ATOM 27856 H HA . ILE A 1 42 ? 7.667 7.674 8.192 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 18 -ATOM 27857 H HB . ILE A 1 42 ? 4.884 6.983 7.158 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 18 -ATOM 27858 H HG12 . ILE A 1 42 ? 6.256 9.649 7.529 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 18 -ATOM 27859 H HG13 . ILE A 1 42 ? 6.128 8.797 6.000 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 18 -ATOM 27860 H HG21 . ILE A 1 42 ? 4.001 8.293 9.038 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 18 -ATOM 27861 H HG22 . ILE A 1 42 ? 5.638 8.522 9.650 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 18 -ATOM 27862 H HG23 . ILE A 1 42 ? 4.929 6.907 9.625 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 18 -ATOM 27863 H HD11 . ILE A 1 42 ? 3.842 9.899 7.628 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 18 -ATOM 27864 H HD12 . ILE A 1 42 ? 3.694 9.008 6.107 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 18 -ATOM 27865 H HD13 . ILE A 1 42 ? 4.523 10.563 6.136 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 18 -ATOM 27866 N N . GLU A 1 43 ? 8.006 5.612 9.397 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 18 -ATOM 27867 C CA . GLU A 1 43 ? 8.321 4.463 10.237 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 18 -ATOM 27868 C C . GLU A 1 43 ? 7.207 4.068 11.205 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 18 -ATOM 27869 O O . GLU A 1 43 ? 7.161 2.938 11.664 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 18 -ATOM 27870 C CB . GLU A 1 43 ? 9.675 4.674 10.934 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 18 -ATOM 27871 C CG . GLU A 1 43 ? 9.822 6.024 11.624 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 18 -ATOM 27872 C CD . GLU A 1 43 ? 11.209 6.252 12.166 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 18 -ATOM 27873 O OE1 . GLU A 1 43 ? 12.110 6.657 11.394 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 18 -ATOM 27874 O OE2 . GLU A 1 43 ? 11.437 6.032 13.363 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 18 -ATOM 27875 H H . GLU A 1 43 ? 8.637 6.364 9.394 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 18 -ATOM 27876 H HA . GLU A 1 43 ? 8.438 3.634 9.555 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 18 -ATOM 27877 H HB2 . GLU A 1 43 ? 9.803 3.903 11.681 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 18 -ATOM 27878 H HB3 . GLU A 1 43 ? 10.464 4.581 10.201 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 18 -ATOM 27879 H HG2 . GLU A 1 43 ? 9.606 6.803 10.909 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 18 -ATOM 27880 H HG3 . GLU A 1 43 ? 9.113 6.079 12.438 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 18 -ATOM 27881 N N . ALA A 1 44 ? 6.292 4.979 11.470 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 18 -ATOM 27882 C CA . ALA A 1 44 ? 5.135 4.683 12.315 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 18 -ATOM 27883 C C . ALA A 1 44 ? 4.204 3.700 11.599 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 18 -ATOM 27884 O O . ALA A 1 44 ? 3.488 2.909 12.228 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 18 -ATOM 27885 C CB . ALA A 1 44 ? 4.392 5.965 12.663 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 18 -ATOM 27886 H H . ALA A 1 44 ? 6.419 5.871 11.088 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 18 -ATOM 27887 H HA . ALA A 1 44 ? 5.489 4.221 13.225 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 18 -ATOM 27888 H HB1 . ALA A 1 44 ? 3.562 5.737 13.316 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 18 -ATOM 27889 H HB2 . ALA A 1 44 ? 4.020 6.424 11.759 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 18 -ATOM 27890 H HB3 . ALA A 1 44 ? 5.065 6.647 13.162 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 18 -ATOM 27891 N N . ASN A 1 45 ? 4.269 3.717 10.281 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 18 -ATOM 27892 C CA . ASN A 1 45 ? 3.436 2.878 9.433 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 18 -ATOM 27893 C C . ASN A 1 45 ? 4.192 1.653 8.983 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 18 -ATOM 27894 O O . ASN A 1 45 ? 3.636 0.808 8.296 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 18 -ATOM 27895 C CB . ASN A 1 45 ? 2.981 3.640 8.179 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 18 -ATOM 27896 C CG . ASN A 1 45 ? 2.078 4.819 8.457 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 18 -ATOM 27897 O OD1 . ASN A 1 45 ? 1.330 4.842 9.437 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 18 -ATOM 27898 N ND2 . ASN A 1 45 ? 2.126 5.799 7.592 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 18 -ATOM 27899 H H . ASN A 1 45 ? 4.918 4.309 9.839 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 18 -ATOM 27900 H HA . ASN A 1 45 ? 2.558 2.562 9.978 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 18 -ATOM 27901 H HB2 . ASN A 1 45 ? 3.854 4.012 7.665 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 18 -ATOM 27902 H HB3 . ASN A 1 45 ? 2.458 2.955 7.529 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 18 -ATOM 27903 H HD21 . ASN A 1 45 ? 2.735 5.714 6.830 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 18 -ATOM 27904 H HD22 . ASN A 1 45 ? 1.533 6.572 7.714 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 18 -ATOM 27905 N N . LYS A 1 46 ? 5.452 1.539 9.372 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 18 -ATOM 27906 C CA . LYS A 1 46 ? 6.264 0.474 8.947 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 18 -ATOM 27907 C C . LYS A 1 46 ? 5.842 -0.822 9.617 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 18 -ATOM 27908 O O . LYS A 1 46 ? 5.442 -0.838 10.794 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 18 -ATOM 27909 C CB . LYS A 1 46 ? 7.724 0.816 9.216 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 18 -ATOM 27910 C CG . LYS A 1 46 ? 8.666 -0.190 8.673 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 18 -ATOM 27911 C CD . LYS A 1 46 ? 10.115 0.266 8.753 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 18 -ATOM 27912 C CE . LYS A 1 46 ? 11.057 -0.792 8.180 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 18 -ATOM 27913 N NZ . LYS A 1 46 ? 12.465 -0.348 8.181 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 18 -ATOM 27914 H H . LYS A 1 46 ? 5.902 2.151 9.985 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 18 -ATOM 27915 H HA . LYS A 1 46 ? 6.136 0.368 7.880 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 18 -ATOM 27916 H HB2 . LYS A 1 46 ? 7.943 1.767 8.755 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 18 -ATOM 27917 H HB3 . LYS A 1 46 ? 7.874 0.892 10.282 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 18 -ATOM 27918 H HG2 . LYS A 1 46 ? 8.500 -1.077 9.262 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 18 -ATOM 27919 H HG3 . LYS A 1 46 ? 8.357 -0.336 7.650 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 18 -ATOM 27920 H HD2 . LYS A 1 46 ? 10.221 1.183 8.191 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 18 -ATOM 27921 H HD3 . LYS A 1 46 ? 10.371 0.452 9.785 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 18 -ATOM 27922 H HE2 . LYS A 1 46 ? 10.977 -1.689 8.776 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 18 -ATOM 27923 H HE3 . LYS A 1 46 ? 10.757 -1.009 7.164 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 18 -ATOM 27924 H HZ1 . LYS A 1 46 ? 12.588 0.481 7.565 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 18 -ATOM 27925 H HZ2 . LYS A 1 46 ? 13.091 -1.103 7.836 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 18 -ATOM 27926 H HZ3 . LYS A 1 46 ? 12.760 -0.081 9.142 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 18 -ATOM 27927 N N . LEU A 1 47 ? 5.900 -1.885 8.862 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 18 -ATOM 27928 C CA . LEU A 1 47 ? 5.505 -3.185 9.336 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 18 -ATOM 27929 C C . LEU A 1 47 ? 6.589 -3.831 10.181 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 18 -ATOM 27930 O O . LEU A 1 47 ? 7.693 -3.293 10.328 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 18 -ATOM 27931 C CB . LEU A 1 47 ? 5.118 -4.100 8.171 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 18 -ATOM 27932 C CG . LEU A 1 47 ? 3.937 -3.648 7.319 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 18 -ATOM 27933 C CD1 . LEU A 1 47 ? 3.589 -4.698 6.290 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 18 -ATOM 27934 C CD2 . LEU A 1 47 ? 2.744 -3.355 8.185 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 18 -ATOM 27935 H H . LEU A 1 47 ? 6.229 -1.767 7.943 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 18 -ATOM 27936 H HA . LEU A 1 47 ? 4.635 -3.051 9.962 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 18 -ATOM 27937 H HB2 . LEU A 1 47 ? 5.977 -4.185 7.522 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 18 -ATOM 27938 H HB3 . LEU A 1 47 ? 4.893 -5.077 8.568 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 18 -ATOM 27939 H HG . LEU A 1 47 ? 4.204 -2.743 6.793 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 18 -ATOM 27940 H HD11 . LEU A 1 47 ? 3.352 -5.624 6.794 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 18 -ATOM 27941 H HD12 . LEU A 1 47 ? 4.416 -4.845 5.612 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 18 -ATOM 27942 H HD13 . LEU A 1 47 ? 2.721 -4.366 5.741 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 18 -ATOM 27943 H HD21 . LEU A 1 47 ? 2.525 -4.220 8.788 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 18 -ATOM 27944 H HD22 . LEU A 1 47 ? 1.897 -3.134 7.554 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 18 -ATOM 27945 H HD23 . LEU A 1 47 ? 2.950 -2.507 8.822 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 18 -ATOM 27946 N N . ARG A 1 48 ? 6.271 -4.986 10.703 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 18 -ATOM 27947 C CA . ARG A 1 48 ? 7.142 -5.724 11.579 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 18 -ATOM 27948 C C . ARG A 1 48 ? 7.641 -6.966 10.852 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 18 -ATOM 27949 O O . ARG A 1 48 ? 6.837 -7.781 10.399 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 18 -ATOM 27950 C CB . ARG A 1 48 ? 6.343 -6.100 12.835 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 18 -ATOM 27951 C CG . ARG A 1 48 ? 7.105 -6.848 13.914 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 18 -ATOM 27952 C CD . ARG A 1 48 ? 6.209 -7.075 15.127 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 18 -ATOM 27953 N NE . ARG A 1 48 ? 5.808 -5.797 15.749 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 18 -ATOM 27954 C CZ . ARG A 1 48 ? 4.542 -5.378 15.968 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 18 -ATOM 27955 N NH1 . ARG A 1 48 ? 3.494 -6.155 15.669 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 18 -ATOM 27956 N NH2 . ARG A 1 48 ? 4.343 -4.186 16.519 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 18 -ATOM 27957 H H . ARG A 1 48 ? 5.406 -5.390 10.480 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 18 -ATOM 27958 H HA . ARG A 1 48 ? 7.977 -5.102 11.862 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 18 -ATOM 27959 H HB2 . ARG A 1 48 ? 5.959 -5.193 13.278 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 18 -ATOM 27960 H HB3 . ARG A 1 48 ? 5.504 -6.708 12.530 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 18 -ATOM 27961 H HG2 . ARG A 1 48 ? 7.436 -7.796 13.521 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 18 -ATOM 27962 H HG3 . ARG A 1 48 ? 7.963 -6.264 14.210 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 18 -ATOM 27963 H HD2 . ARG A 1 48 ? 5.328 -7.610 14.809 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 18 -ATOM 27964 H HD3 . ARG A 1 48 ? 6.749 -7.666 15.853 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 18 -ATOM 27965 H HE . ARG A 1 48 ? 6.560 -5.218 16.017 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 18 -ATOM 27966 H HH11 . ARG A 1 48 ? 3.597 -7.075 15.278 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 18 -ATOM 27967 H HH12 . ARG A 1 48 ? 2.542 -5.872 15.821 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 18 -ATOM 27968 H HH21 . ARG A 1 48 ? 5.118 -3.602 16.779 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 18 -ATOM 27969 H HH22 . ARG A 1 48 ? 3.432 -3.800 16.689 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 18 -ATOM 27970 N N . GLY A 1 49 ? 8.943 -7.074 10.696 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 18 -ATOM 27971 C CA . GLY A 1 49 ? 9.524 -8.219 10.027 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 18 -ATOM 27972 C C . GLY A 1 49 ? 9.420 -8.113 8.525 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 18 -ATOM 27973 O O . GLY A 1 49 ? 9.377 -9.129 7.822 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 18 -ATOM 27974 H H . GLY A 1 49 ? 9.530 -6.366 11.040 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 18 -ATOM 27975 H HA2 . GLY A 1 49 ? 10.563 -8.306 10.303 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 18 -ATOM 27976 H HA3 . GLY A 1 49 ? 9.005 -9.110 10.346 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 18 -ATOM 27977 N N . MET A 1 50 ? 9.395 -6.895 8.025 1.00 0.00 ? ? ? ? ? ? 47 MET A N 18 -ATOM 27978 C CA . MET A 1 50 ? 9.235 -6.651 6.604 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 18 -ATOM 27979 C C . MET A 1 50 ? 10.309 -5.676 6.141 1.00 0.00 ? ? ? ? ? ? 47 MET A C 18 -ATOM 27980 O O . MET A 1 50 ? 10.477 -4.628 6.767 1.00 0.00 ? ? ? ? ? ? 47 MET A O 18 -ATOM 27981 C CB . MET A 1 50 ? 7.837 -6.081 6.317 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 18 -ATOM 27982 C CG . MET A 1 50 ? 6.689 -7.006 6.718 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 18 -ATOM 27983 S SD . MET A 1 50 ? 6.614 -8.533 5.755 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 18 -ATOM 27984 C CE . MET A 1 50 ? 6.113 -7.901 4.152 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 18 -ATOM 27985 H H . MET A 1 50 ? 9.530 -6.127 8.620 1.00 0.00 ? ? ? ? ? ? 47 MET A H 18 -ATOM 27986 H HA . MET A 1 50 ? 9.349 -7.596 6.095 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 18 -ATOM 27987 H HB2 . MET A 1 50 ? 7.732 -5.155 6.863 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 18 -ATOM 27988 H HB3 . MET A 1 50 ? 7.759 -5.874 5.260 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 18 -ATOM 27989 H HG2 . MET A 1 50 ? 6.812 -7.268 7.758 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 18 -ATOM 27990 H HG3 . MET A 1 50 ? 5.757 -6.471 6.597 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 18 -ATOM 27991 H HE1 . MET A 1 50 ? 6.850 -7.206 3.781 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 18 -ATOM 27992 H HE2 . MET A 1 50 ? 5.165 -7.396 4.259 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 18 -ATOM 27993 H HE3 . MET A 1 50 ? 6.002 -8.720 3.457 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 18 -ATOM 27994 N N . PRO A 1 51 ? 11.018 -6.000 5.020 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 18 -ATOM 27995 C CA . PRO A 1 51 ? 12.171 -5.217 4.499 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 18 -ATOM 27996 C C . PRO A 1 51 ? 11.928 -3.714 4.432 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 18 -ATOM 27997 O O . PRO A 1 51 ? 12.650 -2.917 5.047 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 18 -ATOM 27998 C CB . PRO A 1 51 ? 12.396 -5.788 3.082 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 18 -ATOM 27999 C CG . PRO A 1 51 ? 11.221 -6.684 2.819 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 18 -ATOM 28000 C CD . PRO A 1 51 ? 10.750 -7.159 4.159 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 18 -ATOM 28001 H HA . PRO A 1 51 ? 13.054 -5.392 5.091 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 18 -ATOM 28002 H HB2 . PRO A 1 51 ? 12.438 -4.974 2.372 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 18 -ATOM 28003 H HB3 . PRO A 1 51 ? 13.325 -6.337 3.053 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 18 -ATOM 28004 H HG2 . PRO A 1 51 ? 10.438 -6.127 2.327 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 18 -ATOM 28005 H HG3 . PRO A 1 51 ? 11.525 -7.520 2.207 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 18 -ATOM 28006 H HD2 . PRO A 1 51 ? 9.696 -7.388 4.119 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 18 -ATOM 28007 H HD3 . PRO A 1 51 ? 11.317 -8.020 4.482 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 18 -ATOM 28008 N N . ASP A 1 52 ? 10.928 -3.338 3.692 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 18 -ATOM 28009 C CA . ASP A 1 52 ? 10.553 -1.956 3.550 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 18 -ATOM 28010 C C . ASP A 1 52 ? 9.109 -1.943 3.200 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 18 -ATOM 28011 O O . ASP A 1 52 ? 8.750 -1.997 2.034 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 18 -ATOM 28012 C CB . ASP A 1 52 ? 11.339 -1.266 2.440 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 18 -ATOM 28013 C CG . ASP A 1 52 ? 11.307 0.235 2.611 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 18 -ATOM 28014 O OD1 . ASP A 1 52 ? 10.300 0.850 2.293 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 18 -ATOM 28015 O OD2 . ASP A 1 52 ? 12.316 0.815 3.118 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 18 -ATOM 28016 H H . ASP A 1 52 ? 10.404 -4.019 3.221 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 18 -ATOM 28017 H HA . ASP A 1 52 ? 10.693 -1.424 4.479 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 18 -ATOM 28018 H HB2 . ASP A 1 52 ? 12.346 -1.647 2.381 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 18 -ATOM 28019 H HB3 . ASP A 1 52 ? 10.850 -1.501 1.505 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 18 -ATOM 28020 N N . CYS A 1 53 ? 8.278 -2.025 4.193 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 18 -ATOM 28021 C CA . CYS A 1 53 ? 6.861 -2.083 3.967 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 18 -ATOM 28022 C C . CYS A 1 53 ? 6.154 -1.242 4.984 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 18 -ATOM 28023 O O . CYS A 1 53 ? 6.550 -1.211 6.161 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 18 -ATOM 28024 C CB . CYS A 1 53 ? 6.375 -3.531 4.034 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 18 -ATOM 28025 S SG . CYS A 1 53 ? 7.195 -4.629 2.852 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 18 -ATOM 28026 H H . CYS A 1 53 ? 8.607 -2.019 5.115 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 18 -ATOM 28027 H HA . CYS A 1 53 ? 6.656 -1.693 2.984 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 18 -ATOM 28028 H HB2 . CYS A 1 53 ? 6.566 -3.917 5.025 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 18 -ATOM 28029 H HB3 . CYS A 1 53 ? 5.314 -3.559 3.836 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 18 -ATOM 28030 H HG . CYS A 1 53 ? 7.721 -3.792 1.965 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 18 -ATOM 28031 N N . TYR A 1 54 ? 5.127 -0.577 4.549 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 18 -ATOM 28032 C CA . TYR A 1 54 ? 4.375 0.323 5.378 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 18 -ATOM 28033 C C . TYR A 1 54 ? 2.916 0.119 5.084 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 18 -ATOM 28034 O O . TYR A 1 54 ? 2.559 -0.332 3.980 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 18 -ATOM 28035 C CB . TYR A 1 54 ? 4.734 1.792 5.070 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 18 -ATOM 28036 C CG . TYR A 1 54 ? 6.206 2.143 5.172 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 18 -ATOM 28037 C CD1 . TYR A 1 54 ? 7.068 1.906 4.113 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 18 -ATOM 28038 C CD2 . TYR A 1 54 ? 6.729 2.709 6.316 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 18 -ATOM 28039 C CE1 . TYR A 1 54 ? 8.401 2.219 4.198 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 18 -ATOM 28040 C CE2 . TYR A 1 54 ? 8.070 3.026 6.404 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 18 -ATOM 28041 C CZ . TYR A 1 54 ? 8.897 2.779 5.339 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 18 -ATOM 28042 O OH . TYR A 1 54 ? 10.233 3.090 5.420 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 18 -ATOM 28043 H H . TYR A 1 54 ? 4.828 -0.694 3.617 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 18 -ATOM 28044 H HA . TYR A 1 54 ? 4.579 0.115 6.417 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 18 -ATOM 28045 H HB2 . TYR A 1 54 ? 4.422 2.019 4.061 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 18 -ATOM 28046 H HB3 . TYR A 1 54 ? 4.191 2.431 5.751 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 18 -ATOM 28047 H HD1 . TYR A 1 54 ? 6.677 1.461 3.211 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 18 -ATOM 28048 H HD2 . TYR A 1 54 ? 6.075 2.903 7.153 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 18 -ATOM 28049 H HE1 . TYR A 1 54 ? 9.055 2.026 3.361 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 18 -ATOM 28050 H HE2 . TYR A 1 54 ? 8.463 3.468 7.307 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 18 -ATOM 28051 H HH . TYR A 1 54 ? 10.518 3.413 4.554 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 18 -ATOM 28052 N N . LYS A 1 55 ? 2.087 0.416 6.038 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 18 -ATOM 28053 C CA . LYS A 1 55 ? 0.672 0.318 5.857 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 18 -ATOM 28054 C C . LYS A 1 55 ? 0.006 1.628 6.215 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 18 -ATOM 28055 O O . LYS A 1 55 ? 0.367 2.277 7.191 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 18 -ATOM 28056 C CB . LYS A 1 55 ? 0.081 -0.817 6.714 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 18 -ATOM 28057 C CG . LYS A 1 55 ? 0.368 -0.687 8.207 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 18 -ATOM 28058 C CD . LYS A 1 55 ? -0.299 -1.786 9.007 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 18 -ATOM 28059 C CE . LYS A 1 55 ? 0.132 -1.736 10.460 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 18 -ATOM 28060 N NZ . LYS A 1 55 ? -0.564 -2.737 11.284 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 18 -ATOM 28061 H H . LYS A 1 55 ? 2.435 0.723 6.907 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 18 -ATOM 28062 H HA . LYS A 1 55 ? 0.479 0.098 4.818 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 18 -ATOM 28063 H HB2 . LYS A 1 55 ? -0.991 -0.836 6.577 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 18 -ATOM 28064 H HB3 . LYS A 1 55 ? 0.493 -1.755 6.370 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 18 -ATOM 28065 H HG2 . LYS A 1 55 ? 1.435 -0.739 8.362 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 18 -ATOM 28066 H HG3 . LYS A 1 55 ? 0.002 0.271 8.546 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 18 -ATOM 28067 H HD2 . LYS A 1 55 ? -1.372 -1.683 8.943 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 18 -ATOM 28068 H HD3 . LYS A 1 55 ? 0.004 -2.733 8.588 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 18 -ATOM 28069 H HE2 . LYS A 1 55 ? 1.194 -1.920 10.514 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 18 -ATOM 28070 H HE3 . LYS A 1 55 ? -0.078 -0.750 10.840 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 18 -ATOM 28071 H HZ1 . LYS A 1 55 ? -0.193 -2.749 12.254 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 18 -ATOM 28072 H HZ2 . LYS A 1 55 ? -0.491 -3.699 10.890 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 18 -ATOM 28073 H HZ3 . LYS A 1 55 ? -1.577 -2.513 11.352 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 18 -ATOM 28074 N N . ILE A 1 56 ? -0.952 2.004 5.441 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 18 -ATOM 28075 C CA . ILE A 1 56 ? -1.730 3.175 5.728 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 18 -ATOM 28076 C C . ILE A 1 56 ? -3.104 2.715 6.077 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 18 -ATOM 28077 O O . ILE A 1 56 ? -3.673 1.900 5.367 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 18 -ATOM 28078 C CB . ILE A 1 56 ? -1.812 4.155 4.526 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 18 -ATOM 28079 C CG1 . ILE A 1 56 ? -0.407 4.629 4.128 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 18 -ATOM 28080 C CG2 . ILE A 1 56 ? -2.715 5.349 4.868 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 18 -ATOM 28081 C CD1 . ILE A 1 56 ? -0.385 5.609 2.972 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 18 -ATOM 28082 H H . ILE A 1 56 ? -1.153 1.463 4.645 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 18 -ATOM 28083 H HA . ILE A 1 56 ? -1.291 3.678 6.577 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 18 -ATOM 28084 H HB . ILE A 1 56 ? -2.255 3.630 3.692 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 18 -ATOM 28085 H HG12 . ILE A 1 56 ? 0.055 5.111 4.977 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 18 -ATOM 28086 H HG13 . ILE A 1 56 ? 0.185 3.770 3.850 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 18 -ATOM 28087 H HG21 . ILE A 1 56 ? -3.708 5.009 5.125 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 18 -ATOM 28088 H HG22 . ILE A 1 56 ? -2.786 6.008 4.017 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 18 -ATOM 28089 H HG23 . ILE A 1 56 ? -2.305 5.903 5.698 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 18 -ATOM 28090 H HD11 . ILE A 1 56 ? -0.927 6.500 3.254 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 18 -ATOM 28091 H HD12 . ILE A 1 56 ? -0.850 5.162 2.106 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 18 -ATOM 28092 H HD13 . ILE A 1 56 ? 0.637 5.870 2.744 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 18 -ATOM 28093 N N . LYS A 1 57 ? -3.626 3.196 7.153 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 18 -ATOM 28094 C CA . LYS A 1 57 ? -4.931 2.807 7.573 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 18 -ATOM 28095 C C . LYS A 1 57 ? -5.890 3.933 7.221 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 18 -ATOM 28096 O O . LYS A 1 57 ? -5.510 5.116 7.239 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 18 -ATOM 28097 C CB . LYS A 1 57 ? -4.983 2.502 9.103 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 18 -ATOM 28098 C CG . LYS A 1 57 ? -4.827 3.708 10.053 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 18 -ATOM 28099 C CD . LYS A 1 57 ? -3.477 3.764 10.796 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 18 -ATOM 28100 C CE . LYS A 1 57 ? -2.288 4.078 9.892 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 18 -ATOM 28101 N NZ . LYS A 1 57 ? -1.043 4.280 10.663 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 18 -ATOM 28102 H H . LYS A 1 57 ? -3.141 3.885 7.649 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 18 -ATOM 28103 H HA . LYS A 1 57 ? -5.198 1.908 7.027 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 18 -ATOM 28104 H HB2 . LYS A 1 57 ? -5.934 2.038 9.318 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 18 -ATOM 28105 H HB3 . LYS A 1 57 ? -4.201 1.790 9.329 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 18 -ATOM 28106 H HG2 . LYS A 1 57 ? -4.927 4.611 9.470 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 18 -ATOM 28107 H HG3 . LYS A 1 57 ? -5.626 3.675 10.779 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 18 -ATOM 28108 H HD2 . LYS A 1 57 ? -3.541 4.527 11.556 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 18 -ATOM 28109 H HD3 . LYS A 1 57 ? -3.313 2.809 11.275 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 18 -ATOM 28110 H HE2 . LYS A 1 57 ? -2.145 3.259 9.203 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 18 -ATOM 28111 H HE3 . LYS A 1 57 ? -2.514 4.977 9.339 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 18 -ATOM 28112 H HZ1 . LYS A 1 57 ? -0.227 4.483 10.047 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 18 -ATOM 28113 H HZ2 . LYS A 1 57 ? -0.812 3.442 11.238 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 18 -ATOM 28114 H HZ3 . LYS A 1 57 ? -1.160 5.079 11.316 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 18 -ATOM 28115 N N . LEU A 1 58 ? -7.080 3.583 6.865 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 18 -ATOM 28116 C CA . LEU A 1 58 ? -8.090 4.546 6.551 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 18 -ATOM 28117 C C . LEU A 1 58 ? -8.778 4.851 7.883 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 18 -ATOM 28118 O O . LEU A 1 58 ? -8.912 3.961 8.726 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 18 -ATOM 28119 C CB . LEU A 1 58 ? -9.047 3.934 5.498 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 18 -ATOM 28120 C CG . LEU A 1 58 ? -9.784 4.897 4.537 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 18 -ATOM 28121 C CD1 . LEU A 1 58 ? -10.464 4.112 3.440 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 18 -ATOM 28122 C CD2 . LEU A 1 58 ? -10.807 5.751 5.251 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 18 -ATOM 28123 H H . LEU A 1 58 ? -7.309 2.626 6.831 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 18 -ATOM 28124 H HA . LEU A 1 58 ? -7.614 5.437 6.170 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 18 -ATOM 28125 H HB2 . LEU A 1 58 ? -8.474 3.246 4.895 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 18 -ATOM 28126 H HB3 . LEU A 1 58 ? -9.791 3.364 6.035 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 18 -ATOM 28127 H HG . LEU A 1 58 ? -9.055 5.543 4.070 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 18 -ATOM 28128 H HD11 . LEU A 1 58 ? -9.716 3.591 2.861 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 18 -ATOM 28129 H HD12 . LEU A 1 58 ? -11.013 4.784 2.798 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 18 -ATOM 28130 H HD13 . LEU A 1 58 ? -11.140 3.389 3.870 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 18 -ATOM 28131 H HD21 . LEU A 1 58 ? -11.563 5.123 5.694 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 18 -ATOM 28132 H HD22 . LEU A 1 58 ? -11.265 6.428 4.544 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 18 -ATOM 28133 H HD23 . LEU A 1 58 ? -10.311 6.316 6.026 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 18 -ATOM 28134 N N . ARG A 1 59 ? -9.162 6.081 8.101 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 18 -ATOM 28135 C CA . ARG A 1 59 ? -9.665 6.474 9.403 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 18 -ATOM 28136 C C . ARG A 1 59 ? -11.191 6.373 9.489 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 18 -ATOM 28137 O O . ARG A 1 59 ? -11.730 5.888 10.482 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 18 -ATOM 28138 C CB . ARG A 1 59 ? -9.173 7.883 9.721 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 18 -ATOM 28139 C CG . ARG A 1 59 ? -9.428 8.372 11.131 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 18 -ATOM 28140 C CD . ARG A 1 59 ? -8.846 9.759 11.290 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 18 -ATOM 28141 N NE . ARG A 1 59 ? -8.986 10.303 12.634 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 18 -ATOM 28142 C CZ . ARG A 1 59 ? -8.409 11.432 13.052 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 18 -ATOM 28143 N NH1 . ARG A 1 59 ? -7.639 12.138 12.228 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 18 -ATOM 28144 N NH2 . ARG A 1 59 ? -8.605 11.856 14.285 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 18 -ATOM 28145 H H . ARG A 1 59 ? -9.107 6.748 7.384 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 18 -ATOM 28146 H HA . ARG A 1 59 ? -9.241 5.799 10.131 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 18 -ATOM 28147 H HB2 . ARG A 1 59 ? -8.109 7.927 9.546 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 18 -ATOM 28148 H HB3 . ARG A 1 59 ? -9.656 8.567 9.040 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 18 -ATOM 28149 H HG2 . ARG A 1 59 ? -10.490 8.396 11.322 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 18 -ATOM 28150 H HG3 . ARG A 1 59 ? -8.946 7.704 11.828 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 18 -ATOM 28151 H HD2 . ARG A 1 59 ? -7.793 9.725 11.048 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 18 -ATOM 28152 H HD3 . ARG A 1 59 ? -9.346 10.419 10.597 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 18 -ATOM 28153 H HE . ARG A 1 59 ? -9.553 9.777 13.245 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 18 -ATOM 28154 H HH11 . ARG A 1 59 ? -7.473 11.863 11.276 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 18 -ATOM 28155 H HH12 . ARG A 1 59 ? -7.171 12.977 12.522 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 18 -ATOM 28156 H HH21 . ARG A 1 59 ? -9.185 11.353 14.932 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 18 -ATOM 28157 H HH22 . ARG A 1 59 ? -8.206 12.711 14.630 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 18 -ATOM 28158 N N . SER A 1 60 ? -11.877 6.807 8.454 1.00 0.00 ? ? ? ? ? ? 57 SER A N 18 -ATOM 28159 C CA . SER A 1 60 ? -13.336 6.798 8.446 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 18 -ATOM 28160 C C . SER A 1 60 ? -13.918 5.476 7.901 1.00 0.00 ? ? ? ? ? ? 57 SER A C 18 -ATOM 28161 O O . SER A 1 60 ? -15.140 5.334 7.722 1.00 0.00 ? ? ? ? ? ? 57 SER A O 18 -ATOM 28162 C CB . SER A 1 60 ? -13.840 7.985 7.642 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 18 -ATOM 28163 O OG . SER A 1 60 ? -13.320 9.201 8.171 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 18 -ATOM 28164 H H . SER A 1 60 ? -11.404 7.188 7.683 1.00 0.00 ? ? ? ? ? ? 57 SER A H 18 -ATOM 28165 H HA . SER A 1 60 ? -13.662 6.919 9.468 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 18 -ATOM 28166 H HB2 . SER A 1 60 ? -13.515 7.880 6.618 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 18 -ATOM 28167 H HB3 . SER A 1 60 ? -14.918 8.017 7.682 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 18 -ATOM 28168 H HG . SER A 1 60 ? -13.582 9.909 7.571 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 18 -ATOM 28169 N N . SER A 1 61 ? -13.058 4.528 7.626 1.00 0.00 ? ? ? ? ? ? 58 SER A N 18 -ATOM 28170 C CA . SER A 1 61 ? -13.447 3.218 7.160 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 18 -ATOM 28171 C C . SER A 1 61 ? -12.359 2.250 7.590 1.00 0.00 ? ? ? ? ? ? 58 SER A C 18 -ATOM 28172 O O . SER A 1 61 ? -11.186 2.589 7.508 1.00 0.00 ? ? ? ? ? ? 58 SER A O 18 -ATOM 28173 C CB . SER A 1 61 ? -13.611 3.211 5.626 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 18 -ATOM 28174 O OG . SER A 1 61 ? -14.520 4.229 5.203 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 18 -ATOM 28175 H H . SER A 1 61 ? -12.098 4.679 7.758 1.00 0.00 ? ? ? ? ? ? 58 SER A H 18 -ATOM 28176 H HA . SER A 1 61 ? -14.378 2.957 7.637 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 18 -ATOM 28177 H HB2 . SER A 1 61 ? -12.653 3.381 5.162 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 18 -ATOM 28178 H HB3 . SER A 1 61 ? -13.998 2.253 5.314 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 18 -ATOM 28179 H HG . SER A 1 61 ? -14.953 4.530 6.013 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 18 -ATOM 28180 N N . GLY A 1 62 ? -12.736 1.082 8.059 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 18 -ATOM 28181 C CA . GLY A 1 62 ? -11.766 0.128 8.579 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 18 -ATOM 28182 C C . GLY A 1 62 ? -11.006 -0.613 7.497 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 18 -ATOM 28183 O O . GLY A 1 62 ? -11.233 -1.804 7.253 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 18 -ATOM 28184 H H . GLY A 1 62 ? -13.686 0.834 8.049 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 18 -ATOM 28185 H HA2 . GLY A 1 62 ? -11.057 0.666 9.190 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 18 -ATOM 28186 H HA3 . GLY A 1 62 ? -12.280 -0.587 9.201 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 18 -ATOM 28187 N N . TYR A 1 63 ? -10.109 0.079 6.854 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 18 -ATOM 28188 C CA . TYR A 1 63 ? -9.286 -0.484 5.809 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 18 -ATOM 28189 C C . TYR A 1 63 ? -7.856 -0.050 5.999 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 18 -ATOM 28190 O O . TYR A 1 63 ? -7.595 0.941 6.665 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 18 -ATOM 28191 C CB . TYR A 1 63 ? -9.763 -0.034 4.423 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 18 -ATOM 28192 C CG . TYR A 1 63 ? -11.079 -0.620 3.968 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 18 -ATOM 28193 C CD1 . TYR A 1 63 ? -12.291 -0.034 4.312 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 18 -ATOM 28194 C CD2 . TYR A 1 63 ? -11.103 -1.752 3.172 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 18 -ATOM 28195 C CE1 . TYR A 1 63 ? -13.486 -0.563 3.873 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 18 -ATOM 28196 C CE2 . TYR A 1 63 ? -12.291 -2.283 2.725 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 18 -ATOM 28197 C CZ . TYR A 1 63 ? -13.478 -1.688 3.079 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 18 -ATOM 28198 O OH . TYR A 1 63 ? -14.663 -2.212 2.621 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 18 -ATOM 28199 H H . TYR A 1 63 ? -9.987 1.024 7.100 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 18 -ATOM 28200 H HA . TYR A 1 63 ? -9.352 -1.560 5.869 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 18 -ATOM 28201 H HB2 . TYR A 1 63 ? -9.875 1.039 4.429 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 18 -ATOM 28202 H HB3 . TYR A 1 63 ? -9.009 -0.299 3.697 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 18 -ATOM 28203 H HD1 . TYR A 1 63 ? -12.287 0.849 4.934 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 18 -ATOM 28204 H HD2 . TYR A 1 63 ? -10.169 -2.217 2.898 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 18 -ATOM 28205 H HE1 . TYR A 1 63 ? -14.420 -0.096 4.149 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 18 -ATOM 28206 H HE2 . TYR A 1 63 ? -12.289 -3.167 2.104 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 18 -ATOM 28207 H HH . TYR A 1 63 ? -15.151 -1.504 2.177 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 18 -ATOM 28208 N N . ARG A 1 64 ? -6.944 -0.814 5.465 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 18 -ATOM 28209 C CA . ARG A 1 64 ? -5.547 -0.459 5.455 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 18 -ATOM 28210 C C . ARG A 1 64 ? -4.922 -0.954 4.157 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 18 -ATOM 28211 O O . ARG A 1 64 ? -5.367 -1.957 3.585 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 18 -ATOM 28212 C CB . ARG A 1 64 ? -4.749 -0.966 6.701 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 18 -ATOM 28213 C CG . ARG A 1 64 ? -4.632 -2.471 6.833 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 18 -ATOM 28214 C CD . ARG A 1 64 ? -5.957 -3.110 7.164 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 18 -ATOM 28215 N NE . ARG A 1 64 ? -6.359 -2.942 8.569 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 18 -ATOM 28216 C CZ . ARG A 1 64 ? -7.623 -2.977 9.017 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 18 -ATOM 28217 N NH1 . ARG A 1 64 ? -8.647 -2.971 8.162 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 18 -ATOM 28218 N NH2 . ARG A 1 64 ? -7.859 -2.998 10.315 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 18 -ATOM 28219 H H . ARG A 1 64 ? -7.198 -1.664 5.036 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 18 -ATOM 28220 H HA . ARG A 1 64 ? -5.516 0.619 5.423 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 18 -ATOM 28221 H HB2 . ARG A 1 64 ? -3.750 -0.560 6.658 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 18 -ATOM 28222 H HB3 . ARG A 1 64 ? -5.235 -0.585 7.588 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 18 -ATOM 28223 H HG2 . ARG A 1 64 ? -4.273 -2.875 5.897 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 18 -ATOM 28224 H HG3 . ARG A 1 64 ? -3.924 -2.700 7.616 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 18 -ATOM 28225 H HD2 . ARG A 1 64 ? -6.710 -2.659 6.536 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 18 -ATOM 28226 H HD3 . ARG A 1 64 ? -5.889 -4.156 6.927 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 18 -ATOM 28227 H HE . ARG A 1 64 ? -5.622 -2.869 9.219 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 18 -ATOM 28228 H HH11 . ARG A 1 64 ? -8.526 -2.935 7.170 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 18 -ATOM 28229 H HH12 . ARG A 1 64 ? -9.599 -2.993 8.491 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 18 -ATOM 28230 H HH21 . ARG A 1 64 ? -7.101 -2.987 10.974 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 18 -ATOM 28231 H HH22 . ARG A 1 64 ? -8.797 -3.050 10.672 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 18 -ATOM 28232 N N . LEU A 1 65 ? -3.941 -0.256 3.701 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 18 -ATOM 28233 C CA . LEU A 1 65 ? -3.266 -0.554 2.463 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 18 -ATOM 28234 C C . LEU A 1 65 ? -1.796 -0.822 2.766 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 18 -ATOM 28235 O O . LEU A 1 65 ? -1.180 -0.064 3.510 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 18 -ATOM 28236 C CB . LEU A 1 65 ? -3.474 0.653 1.508 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 18 -ATOM 28237 C CG . LEU A 1 65 ? -2.860 0.605 0.099 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 18 -ATOM 28238 C CD1 . LEU A 1 65 ? -3.565 1.608 -0.791 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 18 -ATOM 28239 C CD2 . LEU A 1 65 ? -1.387 0.954 0.142 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 18 -ATOM 28240 H H . LEU A 1 65 ? -3.635 0.519 4.226 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 18 -ATOM 28241 H HA . LEU A 1 65 ? -3.715 -1.434 2.030 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 18 -ATOM 28242 H HB2 . LEU A 1 65 ? -4.538 0.796 1.392 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 18 -ATOM 28243 H HB3 . LEU A 1 65 ? -3.085 1.526 2.011 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 18 -ATOM 28244 H HG . LEU A 1 65 ? -2.973 -0.382 -0.322 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 18 -ATOM 28245 H HD11 . LEU A 1 65 ? -3.133 1.580 -1.781 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 18 -ATOM 28246 H HD12 . LEU A 1 65 ? -3.459 2.599 -0.375 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 18 -ATOM 28247 H HD13 . LEU A 1 65 ? -4.613 1.354 -0.849 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 18 -ATOM 28248 H HD21 . LEU A 1 65 ? -0.990 0.977 -0.862 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 18 -ATOM 28249 H HD22 . LEU A 1 65 ? -0.864 0.208 0.722 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 18 -ATOM 28250 H HD23 . LEU A 1 65 ? -1.264 1.921 0.606 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 18 -ATOM 28251 N N . VAL A 1 66 ? -1.253 -1.890 2.203 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 18 -ATOM 28252 C CA . VAL A 1 66 ? 0.122 -2.294 2.458 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 18 -ATOM 28253 C C . VAL A 1 66 ? 0.971 -2.138 1.194 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 18 -ATOM 28254 O O . VAL A 1 66 ? 0.632 -2.668 0.119 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 18 -ATOM 28255 C CB . VAL A 1 66 ? 0.196 -3.770 2.957 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 18 -ATOM 28256 C CG1 . VAL A 1 66 ? 1.639 -4.205 3.187 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 18 -ATOM 28257 C CG2 . VAL A 1 66 ? -0.618 -3.950 4.233 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 18 -ATOM 28258 H H . VAL A 1 66 ? -1.761 -2.435 1.559 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 18 -ATOM 28259 H HA . VAL A 1 66 ? 0.519 -1.648 3.226 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 18 -ATOM 28260 H HB . VAL A 1 66 ? -0.226 -4.405 2.193 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 18 -ATOM 28261 H HG11 . VAL A 1 66 ? 2.103 -3.549 3.907 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 18 -ATOM 28262 H HG12 . VAL A 1 66 ? 2.183 -4.159 2.255 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 18 -ATOM 28263 H HG13 . VAL A 1 66 ? 1.654 -5.219 3.562 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 18 -ATOM 28264 H HG21 . VAL A 1 66 ? -0.225 -3.300 4.999 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 18 -ATOM 28265 H HG22 . VAL A 1 66 ? -0.551 -4.976 4.563 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 18 -ATOM 28266 H HG23 . VAL A 1 66 ? -1.651 -3.696 4.040 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 18 -ATOM 28267 N N . TYR A 1 67 ? 2.061 -1.428 1.317 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 18 -ATOM 28268 C CA . TYR A 1 67 ? 2.943 -1.197 0.204 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 18 -ATOM 28269 C C . TYR A 1 67 ? 4.389 -1.362 0.611 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 18 -ATOM 28270 O O . TYR A 1 67 ? 4.717 -1.299 1.803 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 18 -ATOM 28271 C CB . TYR A 1 67 ? 2.715 0.201 -0.421 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 18 -ATOM 28272 C CG . TYR A 1 67 ? 2.881 1.400 0.516 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 18 -ATOM 28273 C CD1 . TYR A 1 67 ? 4.115 1.735 1.068 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 18 -ATOM 28274 C CD2 . TYR A 1 67 ? 1.808 2.212 0.809 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 18 -ATOM 28275 C CE1 . TYR A 1 67 ? 4.261 2.829 1.882 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 18 -ATOM 28276 C CE2 . TYR A 1 67 ? 1.946 3.309 1.624 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 18 -ATOM 28277 C CZ . TYR A 1 67 ? 3.177 3.612 2.160 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 18 -ATOM 28278 O OH . TYR A 1 67 ? 3.324 4.705 2.980 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 18 -ATOM 28279 H H . TYR A 1 67 ? 2.297 -1.054 2.197 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 18 -ATOM 28280 H HA . TYR A 1 67 ? 2.714 -1.941 -0.544 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 18 -ATOM 28281 H HB2 . TYR A 1 67 ? 3.411 0.336 -1.236 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 18 -ATOM 28282 H HB3 . TYR A 1 67 ? 1.711 0.230 -0.817 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 18 -ATOM 28283 H HD1 . TYR A 1 67 ? 4.969 1.110 0.850 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 18 -ATOM 28284 H HD2 . TYR A 1 67 ? 0.841 1.976 0.391 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 18 -ATOM 28285 H HE1 . TYR A 1 67 ? 5.228 3.069 2.296 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 18 -ATOM 28286 H HE2 . TYR A 1 67 ? 1.081 3.922 1.830 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 18 -ATOM 28287 H HH . TYR A 1 67 ? 4.190 5.091 2.828 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 18 -ATOM 28288 N N . GLN A 1 68 ? 5.238 -1.599 -0.350 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 18 -ATOM 28289 C CA . GLN A 1 68 ? 6.650 -1.622 -0.104 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 18 -ATOM 28290 C C . GLN A 1 68 ? 7.286 -0.460 -0.831 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 18 -ATOM 28291 O O . GLN A 1 68 ? 6.881 -0.123 -1.950 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 18 -ATOM 28292 C CB . GLN A 1 68 ? 7.315 -2.958 -0.495 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 18 -ATOM 28293 C CG . GLN A 1 68 ? 7.254 -3.329 -1.966 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 18 -ATOM 28294 C CD . GLN A 1 68 ? 8.025 -4.605 -2.277 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 18 -ATOM 28295 O OE1 . GLN A 1 68 ? 7.658 -5.350 -3.177 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 18 -ATOM 28296 N NE2 . GLN A 1 68 ? 9.124 -4.848 -1.569 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 18 -ATOM 28297 H H . GLN A 1 68 ? 4.906 -1.731 -1.268 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 18 -ATOM 28298 H HA . GLN A 1 68 ? 6.782 -1.450 0.954 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 18 -ATOM 28299 H HB2 . GLN A 1 68 ? 8.355 -2.904 -0.209 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 18 -ATOM 28300 H HB3 . GLN A 1 68 ? 6.846 -3.744 0.078 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 18 -ATOM 28301 H HG2 . GLN A 1 68 ? 6.221 -3.470 -2.247 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 18 -ATOM 28302 H HG3 . GLN A 1 68 ? 7.672 -2.520 -2.546 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 18 -ATOM 28303 H HE21 . GLN A 1 68 ? 9.417 -4.214 -0.879 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 18 -ATOM 28304 H HE22 . GLN A 1 68 ? 9.601 -5.680 -1.780 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 18 -ATOM 28305 N N . VAL A 1 69 ? 8.229 0.173 -0.211 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 18 -ATOM 28306 C CA . VAL A 1 69 ? 8.870 1.306 -0.814 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 18 -ATOM 28307 C C . VAL A 1 69 ? 10.188 0.887 -1.420 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 18 -ATOM 28308 O O . VAL A 1 69 ? 11.116 0.476 -0.728 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 18 -ATOM 28309 C CB . VAL A 1 69 ? 9.073 2.468 0.199 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 18 -ATOM 28310 C CG1 . VAL A 1 69 ? 9.866 3.613 -0.404 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 18 -ATOM 28311 C CG2 . VAL A 1 69 ? 7.738 2.968 0.715 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 18 -ATOM 28312 H H . VAL A 1 69 ? 8.550 -0.122 0.671 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 18 -ATOM 28313 H HA . VAL A 1 69 ? 8.227 1.651 -1.610 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 18 -ATOM 28314 H HB . VAL A 1 69 ? 9.632 2.081 1.038 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 18 -ATOM 28315 H HG11 . VAL A 1 69 ? 10.837 3.238 -0.692 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 18 -ATOM 28316 H HG12 . VAL A 1 69 ? 9.986 4.387 0.341 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 18 -ATOM 28317 H HG13 . VAL A 1 69 ? 9.352 4.006 -1.268 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 18 -ATOM 28318 H HG21 . VAL A 1 69 ? 7.904 3.756 1.433 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 18 -ATOM 28319 H HG22 . VAL A 1 69 ? 7.210 2.153 1.186 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 18 -ATOM 28320 H HG23 . VAL A 1 69 ? 7.148 3.346 -0.107 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 18 -ATOM 28321 N N . ILE A 1 70 ? 10.265 0.943 -2.713 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 18 -ATOM 28322 C CA . ILE A 1 70 ? 11.479 0.628 -3.361 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 18 -ATOM 28323 C C . ILE A 1 70 ? 12.187 1.939 -3.600 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 18 -ATOM 28324 O O . ILE A 1 70 ? 11.933 2.633 -4.595 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 18 -ATOM 28325 C CB . ILE A 1 70 ? 11.249 -0.092 -4.718 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 18 -ATOM 28326 C CG1 . ILE A 1 70 ? 10.283 -1.276 -4.542 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 18 -ATOM 28327 C CG2 . ILE A 1 70 ? 12.586 -0.582 -5.281 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 18 -ATOM 28328 C CD1 . ILE A 1 70 ? 9.897 -1.954 -5.841 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 18 -ATOM 28329 H H . ILE A 1 70 ? 9.495 1.234 -3.251 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 18 -ATOM 28330 H HA . ILE A 1 70 ? 12.073 0.004 -2.709 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 18 -ATOM 28331 H HB . ILE A 1 70 ? 10.822 0.617 -5.412 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 18 -ATOM 28332 H HG12 . ILE A 1 70 ? 10.744 -2.019 -3.907 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 18 -ATOM 28333 H HG13 . ILE A 1 70 ? 9.379 -0.923 -4.070 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 18 -ATOM 28334 H HG21 . ILE A 1 70 ? 13.245 0.260 -5.422 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 18 -ATOM 28335 H HG22 . ILE A 1 70 ? 12.420 -1.075 -6.228 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 18 -ATOM 28336 H HG23 . ILE A 1 70 ? 13.034 -1.278 -4.589 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 18 -ATOM 28337 H HD11 . ILE A 1 70 ? 10.785 -2.333 -6.326 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 18 -ATOM 28338 H HD12 . ILE A 1 70 ? 9.417 -1.234 -6.489 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 18 -ATOM 28339 H HD13 . ILE A 1 70 ? 9.219 -2.769 -5.639 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 18 -ATOM 28340 N N . ASP A 1 71 ? 13.054 2.293 -2.685 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 18 -ATOM 28341 C CA . ASP A 1 71 ? 13.784 3.561 -2.773 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 18 -ATOM 28342 C C . ASP A 1 71 ? 14.768 3.508 -3.916 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 18 -ATOM 28343 O O . ASP A 1 71 ? 15.061 4.516 -4.556 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 18 -ATOM 28344 C CB . ASP A 1 71 ? 14.500 3.880 -1.459 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 18 -ATOM 28345 C CG . ASP A 1 71 ? 15.190 5.232 -1.483 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 18 -ATOM 28346 O OD1 . ASP A 1 71 ? 14.552 6.247 -1.125 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 18 -ATOM 28347 O OD2 . ASP A 1 71 ? 16.381 5.304 -1.859 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 18 -ATOM 28348 H H . ASP A 1 71 ? 13.174 1.706 -1.908 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 18 -ATOM 28349 H HA . ASP A 1 71 ? 13.064 4.337 -2.985 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 18 -ATOM 28350 H HB2 . ASP A 1 71 ? 13.782 3.879 -0.652 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 18 -ATOM 28351 H HB3 . ASP A 1 71 ? 15.245 3.121 -1.272 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 18 -ATOM 28352 N N . GLU A 1 72 ? 15.208 2.294 -4.208 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 18 -ATOM 28353 C CA . GLU A 1 72 ? 16.149 2.016 -5.280 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 18 -ATOM 28354 C C . GLU A 1 72 ? 15.596 2.474 -6.627 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 18 -ATOM 28355 O O . GLU A 1 72 ? 16.327 2.967 -7.466 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 18 -ATOM 28356 C CB . GLU A 1 72 ? 16.420 0.523 -5.346 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 18 -ATOM 28357 C CG . GLU A 1 72 ? 16.909 -0.080 -4.051 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 18 -ATOM 28358 C CD . GLU A 1 72 ? 17.202 -1.544 -4.189 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 18 -ATOM 28359 O OE1 . GLU A 1 72 ? 16.279 -2.375 -4.029 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 18 -ATOM 28360 O OE2 . GLU A 1 72 ? 18.367 -1.901 -4.467 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 18 -ATOM 28361 H H . GLU A 1 72 ? 14.892 1.556 -3.648 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 18 -ATOM 28362 H HA . GLU A 1 72 ? 17.077 2.525 -5.070 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 18 -ATOM 28363 H HB2 . GLU A 1 72 ? 15.509 0.015 -5.629 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 18 -ATOM 28364 H HB3 . GLU A 1 72 ? 17.164 0.338 -6.106 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 18 -ATOM 28365 H HG2 . GLU A 1 72 ? 17.814 0.428 -3.754 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 18 -ATOM 28366 H HG3 . GLU A 1 72 ? 16.153 0.053 -3.290 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 18 -ATOM 28367 N N . LYS A 1 73 ? 14.299 2.304 -6.811 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 18 -ATOM 28368 C CA . LYS A 1 73 ? 13.650 2.663 -8.064 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 18 -ATOM 28369 C C . LYS A 1 73 ? 12.793 3.912 -7.901 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 18 -ATOM 28370 O O . LYS A 1 73 ? 12.186 4.392 -8.868 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 18 -ATOM 28371 C CB . LYS A 1 73 ? 12.810 1.494 -8.578 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 18 -ATOM 28372 C CG . LYS A 1 73 ? 13.616 0.247 -8.882 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 18 -ATOM 28373 C CD . LYS A 1 73 ? 12.731 -0.881 -9.369 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 18 -ATOM 28374 C CE . LYS A 1 73 ? 13.549 -2.117 -9.667 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 18 -ATOM 28375 N NZ . LYS A 1 73 ? 12.734 -3.207 -10.230 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 18 -ATOM 28376 H H . LYS A 1 73 ? 13.761 1.941 -6.077 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 18 -ATOM 28377 H HA . LYS A 1 73 ? 14.428 2.871 -8.783 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 18 -ATOM 28378 H HB2 . LYS A 1 73 ? 12.091 1.237 -7.815 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 18 -ATOM 28379 H HB3 . LYS A 1 73 ? 12.291 1.798 -9.475 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 18 -ATOM 28380 H HG2 . LYS A 1 73 ? 14.339 0.476 -9.650 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 18 -ATOM 28381 H HG3 . LYS A 1 73 ? 14.130 -0.067 -7.985 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 18 -ATOM 28382 H HD2 . LYS A 1 73 ? 12.008 -1.112 -8.600 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 18 -ATOM 28383 H HD3 . LYS A 1 73 ? 12.211 -0.573 -10.264 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 18 -ATOM 28384 H HE2 . LYS A 1 73 ? 14.319 -1.857 -10.377 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 18 -ATOM 28385 H HE3 . LYS A 1 73 ? 14.008 -2.455 -8.749 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 18 -ATOM 28386 H HZ1 . LYS A 1 73 ? 12.352 -2.940 -11.161 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 18 -ATOM 28387 H HZ2 . LYS A 1 73 ? 11.931 -3.436 -9.609 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 18 -ATOM 28388 H HZ3 . LYS A 1 73 ? 13.316 -4.061 -10.344 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 18 -ATOM 28389 N N . VAL A 1 74 ? 12.756 4.426 -6.662 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 18 -ATOM 28390 C CA . VAL A 1 74 ? 11.998 5.637 -6.289 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 18 -ATOM 28391 C C . VAL A 1 74 ? 10.482 5.399 -6.526 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 18 -ATOM 28392 O O . VAL A 1 74 ? 9.712 6.301 -6.863 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 18 -ATOM 28393 C CB . VAL A 1 74 ? 12.526 6.910 -7.067 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 18 -ATOM 28394 C CG1 . VAL A 1 74 ? 11.924 8.211 -6.528 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 18 -ATOM 28395 C CG2 . VAL A 1 74 ? 14.044 6.987 -7.000 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 18 -ATOM 28396 H H . VAL A 1 74 ? 13.264 3.971 -5.959 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 18 -ATOM 28397 H HA . VAL A 1 74 ? 12.144 5.777 -5.227 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 18 -ATOM 28398 H HB . VAL A 1 74 ? 12.239 6.812 -8.104 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 18 -ATOM 28399 H HG11 . VAL A 1 74 ? 12.182 8.321 -5.486 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 18 -ATOM 28400 H HG12 . VAL A 1 74 ? 10.849 8.176 -6.631 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 18 -ATOM 28401 H HG13 . VAL A 1 74 ? 12.311 9.049 -7.087 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 18 -ATOM 28402 H HG21 . VAL A 1 74 ? 14.466 6.092 -7.432 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 18 -ATOM 28403 H HG22 . VAL A 1 74 ? 14.356 7.076 -5.970 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 18 -ATOM 28404 H HG23 . VAL A 1 74 ? 14.382 7.848 -7.556 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 18 -ATOM 28405 N N . VAL A 1 75 ? 10.050 4.189 -6.282 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 18 -ATOM 28406 C CA . VAL A 1 75 ? 8.671 3.846 -6.489 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 18 -ATOM 28407 C C . VAL A 1 75 ? 8.124 3.078 -5.293 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 18 -ATOM 28408 O O . VAL A 1 75 ? 8.809 2.247 -4.691 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 18 -ATOM 28409 C CB . VAL A 1 75 ? 8.456 3.050 -7.828 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 18 -ATOM 28410 C CG1 . VAL A 1 75 ? 9.206 1.739 -7.832 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 18 -ATOM 28411 C CG2 . VAL A 1 75 ? 6.974 2.830 -8.133 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 18 -ATOM 28412 H H . VAL A 1 75 ? 10.661 3.512 -5.919 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 18 -ATOM 28413 H HA . VAL A 1 75 ? 8.129 4.779 -6.558 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 18 -ATOM 28414 H HB . VAL A 1 75 ? 8.878 3.641 -8.626 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 18 -ATOM 28415 H HG11 . VAL A 1 75 ? 10.252 1.941 -7.667 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 18 -ATOM 28416 H HG12 . VAL A 1 75 ? 9.075 1.269 -8.796 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 18 -ATOM 28417 H HG13 . VAL A 1 75 ? 8.822 1.102 -7.050 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 18 -ATOM 28418 H HG21 . VAL A 1 75 ? 6.476 3.784 -8.217 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 18 -ATOM 28419 H HG22 . VAL A 1 75 ? 6.524 2.260 -7.334 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 18 -ATOM 28420 H HG23 . VAL A 1 75 ? 6.873 2.288 -9.064 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 18 -ATOM 28421 N N . VAL A 1 76 ? 6.936 3.410 -4.934 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 18 -ATOM 28422 C CA . VAL A 1 76 ? 6.216 2.775 -3.890 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 18 -ATOM 28423 C C . VAL A 1 76 ? 5.274 1.786 -4.548 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 18 -ATOM 28424 O O . VAL A 1 76 ? 4.453 2.164 -5.402 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 18 -ATOM 28425 C CB . VAL A 1 76 ? 5.421 3.820 -3.074 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 18 -ATOM 28426 C CG1 . VAL A 1 76 ? 4.650 3.169 -1.957 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 18 -ATOM 28427 C CG2 . VAL A 1 76 ? 6.348 4.894 -2.526 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 18 -ATOM 28428 H H . VAL A 1 76 ? 6.478 4.136 -5.411 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 18 -ATOM 28429 H HA . VAL A 1 76 ? 6.909 2.256 -3.244 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 18 -ATOM 28430 H HB . VAL A 1 76 ? 4.720 4.296 -3.743 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 18 -ATOM 28431 H HG11 . VAL A 1 76 ? 3.949 2.461 -2.372 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 18 -ATOM 28432 H HG12 . VAL A 1 76 ? 4.114 3.922 -1.398 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 18 -ATOM 28433 H HG13 . VAL A 1 76 ? 5.330 2.651 -1.298 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 18 -ATOM 28434 H HG21 . VAL A 1 76 ? 7.099 4.436 -1.900 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 18 -ATOM 28435 H HG22 . VAL A 1 76 ? 5.776 5.603 -1.945 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 18 -ATOM 28436 H HG23 . VAL A 1 76 ? 6.827 5.406 -3.347 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 18 -ATOM 28437 N N . PHE A 1 77 ? 5.404 0.547 -4.192 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 18 -ATOM 28438 C CA . PHE A 1 77 ? 4.674 -0.499 -4.839 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 18 -ATOM 28439 C C . PHE A 1 77 ? 3.641 -1.073 -3.870 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 18 -ATOM 28440 O O . PHE A 1 77 ? 4.005 -1.623 -2.824 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 18 -ATOM 28441 C CB . PHE A 1 77 ? 5.663 -1.589 -5.266 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 18 -ATOM 28442 C CG . PHE A 1 77 ? 5.338 -2.266 -6.563 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 18 -ATOM 28443 C CD1 . PHE A 1 77 ? 4.076 -2.186 -7.120 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 18 -ATOM 28444 C CD2 . PHE A 1 77 ? 6.314 -2.975 -7.238 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 18 -ATOM 28445 C CE1 . PHE A 1 77 ? 3.801 -2.794 -8.314 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 18 -ATOM 28446 C CE2 . PHE A 1 77 ? 6.037 -3.589 -8.436 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 18 -ATOM 28447 C CZ . PHE A 1 77 ? 4.780 -3.496 -8.973 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 18 -ATOM 28448 H H . PHE A 1 77 ? 6.004 0.311 -3.447 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 18 -ATOM 28449 H HA . PHE A 1 77 ? 4.197 -0.093 -5.716 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 18 -ATOM 28450 H HB2 . PHE A 1 77 ? 6.644 -1.147 -5.370 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 18 -ATOM 28451 H HB3 . PHE A 1 77 ? 5.702 -2.344 -4.494 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 18 -ATOM 28452 H HD1 . PHE A 1 77 ? 3.296 -1.639 -6.611 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 18 -ATOM 28453 H HD2 . PHE A 1 77 ? 7.305 -3.047 -6.814 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 18 -ATOM 28454 H HE1 . PHE A 1 77 ? 2.809 -2.721 -8.736 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 18 -ATOM 28455 H HE2 . PHE A 1 77 ? 6.802 -4.142 -8.960 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 18 -ATOM 28456 H HZ . PHE A 1 77 ? 4.562 -3.974 -9.915 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 18 -ATOM 28457 N N . VAL A 1 78 ? 2.375 -0.911 -4.193 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 18 -ATOM 28458 C CA . VAL A 1 78 ? 1.291 -1.419 -3.362 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 18 -ATOM 28459 C C . VAL A 1 78 ? 1.094 -2.896 -3.639 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 18 -ATOM 28460 O O . VAL A 1 78 ? 0.797 -3.276 -4.774 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 18 -ATOM 28461 C CB . VAL A 1 78 ? -0.034 -0.660 -3.631 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 18 -ATOM 28462 C CG1 . VAL A 1 78 ? -1.171 -1.194 -2.761 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 18 -ATOM 28463 C CG2 . VAL A 1 78 ? 0.155 0.836 -3.422 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 18 -ATOM 28464 H H . VAL A 1 78 ? 2.163 -0.446 -5.035 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 18 -ATOM 28465 H HA . VAL A 1 78 ? 1.570 -1.290 -2.328 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 18 -ATOM 28466 H HB . VAL A 1 78 ? -0.307 -0.826 -4.663 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 18 -ATOM 28467 H HG11 . VAL A 1 78 ? -1.341 -2.233 -2.999 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 18 -ATOM 28468 H HG12 . VAL A 1 78 ? -2.075 -0.632 -2.944 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 18 -ATOM 28469 H HG13 . VAL A 1 78 ? -0.899 -1.112 -1.720 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 18 -ATOM 28470 H HG21 . VAL A 1 78 ? 0.497 1.026 -2.416 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 18 -ATOM 28471 H HG22 . VAL A 1 78 ? -0.783 1.344 -3.586 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 18 -ATOM 28472 H HG23 . VAL A 1 78 ? 0.891 1.204 -4.123 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 18 -ATOM 28473 N N . ILE A 1 79 ? 1.218 -3.710 -2.604 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 18 -ATOM 28474 C CA . ILE A 1 79 ? 1.173 -5.157 -2.771 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 18 -ATOM 28475 C C . ILE A 1 79 ? -0.220 -5.698 -2.461 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 18 -ATOM 28476 O O . ILE A 1 79 ? -0.745 -6.551 -3.185 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 18 -ATOM 28477 C CB . ILE A 1 79 ? 2.167 -5.864 -1.809 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 18 -ATOM 28478 C CG1 . ILE A 1 79 ? 3.545 -5.187 -1.835 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 18 -ATOM 28479 C CG2 . ILE A 1 79 ? 2.298 -7.341 -2.191 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 18 -ATOM 28480 C CD1 . ILE A 1 79 ? 4.541 -5.791 -0.860 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 18 -ATOM 28481 H H . ILE A 1 79 ? 1.323 -3.328 -1.705 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 18 -ATOM 28482 H HA . ILE A 1 79 ? 1.447 -5.403 -3.786 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 18 -ATOM 28483 H HB . ILE A 1 79 ? 1.762 -5.810 -0.809 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 18 -ATOM 28484 H HG12 . ILE A 1 79 ? 3.961 -5.255 -2.829 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 18 -ATOM 28485 H HG13 . ILE A 1 79 ? 3.424 -4.144 -1.581 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 18 -ATOM 28486 H HG21 . ILE A 1 79 ? 2.600 -7.418 -3.224 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 18 -ATOM 28487 H HG22 . ILE A 1 79 ? 1.354 -7.847 -2.048 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 18 -ATOM 28488 H HG23 . ILE A 1 79 ? 3.054 -7.797 -1.569 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 18 -ATOM 28489 H HD11 . ILE A 1 79 ? 4.155 -5.699 0.145 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 18 -ATOM 28490 H HD12 . ILE A 1 79 ? 5.489 -5.281 -0.937 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 18 -ATOM 28491 H HD13 . ILE A 1 79 ? 4.672 -6.837 -1.095 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 18 -ATOM 28492 N N . SER A 1 80 ? -0.816 -5.188 -1.407 1.00 0.00 ? ? ? ? ? ? 77 SER A N 18 -ATOM 28493 C CA . SER A 1 80 ? -2.091 -5.669 -0.937 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 18 -ATOM 28494 C C . SER A 1 80 ? -2.909 -4.513 -0.361 1.00 0.00 ? ? ? ? ? ? 77 SER A C 18 -ATOM 28495 O O . SER A 1 80 ? -2.339 -3.520 0.143 1.00 0.00 ? ? ? ? ? ? 77 SER A O 18 -ATOM 28496 C CB . SER A 1 80 ? -1.832 -6.759 0.113 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 18 -ATOM 28497 O OG . SER A 1 80 ? -0.864 -6.317 1.071 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 18 -ATOM 28498 H H . SER A 1 80 ? -0.418 -4.457 -0.886 1.00 0.00 ? ? ? ? ? ? 77 SER A H 18 -ATOM 28499 H HA . SER A 1 80 ? -2.620 -6.106 -1.770 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 18 -ATOM 28500 H HB2 . SER A 1 80 ? -2.749 -6.996 0.631 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 18 -ATOM 28501 H HB3 . SER A 1 80 ? -1.446 -7.642 -0.377 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 18 -ATOM 28502 H HG . SER A 1 80 ? -0.702 -7.017 1.712 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 18 -ATOM 28503 N N . VAL A 1 81 ? -4.217 -4.597 -0.456 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 18 -ATOM 28504 C CA . VAL A 1 81 ? -5.060 -3.531 0.028 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 18 -ATOM 28505 C C . VAL A 1 81 ? -6.425 -4.047 0.512 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 18 -ATOM 28506 O O . VAL A 1 81 ? -7.126 -4.762 -0.201 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 18 -ATOM 28507 C CB . VAL A 1 81 ? -5.201 -2.382 -1.033 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 18 -ATOM 28508 C CG1 . VAL A 1 81 ? -5.742 -2.882 -2.359 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 18 -ATOM 28509 C CG2 . VAL A 1 81 ? -6.050 -1.247 -0.507 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 18 -ATOM 28510 H H . VAL A 1 81 ? -4.640 -5.411 -0.828 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 18 -ATOM 28511 H HA . VAL A 1 81 ? -4.556 -3.125 0.893 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 18 -ATOM 28512 H HB . VAL A 1 81 ? -4.209 -1.998 -1.222 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 18 -ATOM 28513 H HG11 . VAL A 1 81 ? -6.722 -3.310 -2.211 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 18 -ATOM 28514 H HG12 . VAL A 1 81 ? -5.077 -3.636 -2.754 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 18 -ATOM 28515 H HG13 . VAL A 1 81 ? -5.810 -2.060 -3.056 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 18 -ATOM 28516 H HG21 . VAL A 1 81 ? -5.598 -0.853 0.390 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 18 -ATOM 28517 H HG22 . VAL A 1 81 ? -7.043 -1.611 -0.286 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 18 -ATOM 28518 H HG23 . VAL A 1 81 ? -6.103 -0.469 -1.255 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 18 -ATOM 28519 N N . GLY A 1 82 ? -6.798 -3.701 1.723 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 18 -ATOM 28520 C CA . GLY A 1 82 ? -8.077 -4.130 2.209 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 18 -ATOM 28521 C C . GLY A 1 82 ? -8.152 -4.163 3.704 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 18 -ATOM 28522 O O . GLY A 1 82 ? -7.912 -3.157 4.380 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 18 -ATOM 28523 H H . GLY A 1 82 ? -6.211 -3.157 2.294 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 18 -ATOM 28524 H HA2 . GLY A 1 82 ? -8.834 -3.461 1.831 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 18 -ATOM 28525 H HA3 . GLY A 1 82 ? -8.269 -5.122 1.828 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 18 -ATOM 28526 N N . LYS A 1 83 ? -8.476 -5.291 4.233 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 18 -ATOM 28527 C CA . LYS A 1 83 ? -8.619 -5.445 5.645 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 18 -ATOM 28528 C C . LYS A 1 83 ? -7.541 -6.371 6.158 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 18 -ATOM 28529 O O . LYS A 1 83 ? -7.004 -7.184 5.413 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 18 -ATOM 28530 C CB . LYS A 1 83 ? -10.014 -5.965 5.989 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 18 -ATOM 28531 C CG . LYS A 1 83 ? -11.139 -5.097 5.436 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 18 -ATOM 28532 C CD . LYS A 1 83 ? -12.502 -5.677 5.746 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 18 -ATOM 28533 C CE . LYS A 1 83 ? -13.606 -4.873 5.078 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 18 -ATOM 28534 N NZ . LYS A 1 83 ? -14.942 -5.447 5.326 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 18 -ATOM 28535 H H . LYS A 1 83 ? -8.611 -6.075 3.656 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 18 -ATOM 28536 H HA . LYS A 1 83 ? -8.484 -4.472 6.096 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 18 -ATOM 28537 H HB2 . LYS A 1 83 ? -10.129 -6.967 5.604 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 18 -ATOM 28538 H HB3 . LYS A 1 83 ? -10.111 -5.989 7.064 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 18 -ATOM 28539 H HG2 . LYS A 1 83 ? -11.067 -4.113 5.875 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 18 -ATOM 28540 H HG3 . LYS A 1 83 ? -11.023 -5.018 4.366 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 18 -ATOM 28541 H HD2 . LYS A 1 83 ? -12.543 -6.696 5.392 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 18 -ATOM 28542 H HD3 . LYS A 1 83 ? -12.651 -5.656 6.816 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 18 -ATOM 28543 H HE2 . LYS A 1 83 ? -13.585 -3.864 5.464 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 18 -ATOM 28544 H HE3 . LYS A 1 83 ? -13.421 -4.850 4.015 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 18 -ATOM 28545 H HZ1 . LYS A 1 83 ? -15.677 -4.927 4.806 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 18 -ATOM 28546 H HZ2 . LYS A 1 83 ? -15.177 -5.395 6.337 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 18 -ATOM 28547 H HZ3 . LYS A 1 83 ? -14.983 -6.447 5.043 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 18 -ATOM 28548 N N . ALA A 1 84 ? -7.236 -6.263 7.419 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 18 -ATOM 28549 C CA . ALA A 1 84 ? -6.157 -7.026 8.009 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 18 -ATOM 28550 C C . ALA A 1 84 ? -6.683 -8.279 8.671 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 18 -ATOM 28551 O O . ALA A 1 84 ? -5.973 -8.938 9.443 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 18 -ATOM 28552 C CB . ALA A 1 84 ? -5.416 -6.166 9.000 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 18 -ATOM 28553 H H . ALA A 1 84 ? -7.761 -5.675 8.006 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 18 -ATOM 28554 H HA . ALA A 1 84 ? -5.472 -7.304 7.221 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 18 -ATOM 28555 H HB1 . ALA A 1 84 ? -6.094 -5.866 9.785 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 18 -ATOM 28556 H HB2 . ALA A 1 84 ? -5.044 -5.286 8.497 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 18 -ATOM 28557 H HB3 . ALA A 1 84 ? -4.600 -6.729 9.424 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 18 -ATOM 28558 N N . GLU A 1 85 ? -7.901 -8.624 8.328 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 18 -ATOM 28559 C CA . GLU A 1 85 ? -8.577 -9.777 8.857 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 18 -ATOM 28560 C C . GLU A 1 85 ? -7.832 -11.017 8.418 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 18 -ATOM 28561 O O . GLU A 1 85 ? -7.500 -11.159 7.229 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 18 -ATOM 28562 C CB . GLU A 1 85 ? -10.019 -9.806 8.349 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 18 -ATOM 28563 C CG . GLU A 1 85 ? -10.767 -8.509 8.606 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 18 -ATOM 28564 C CD . GLU A 1 85 ? -12.198 -8.529 8.146 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 18 -ATOM 28565 O OE1 . GLU A 1 85 ? -12.456 -8.898 6.981 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 18 -ATOM 28566 O OE2 . GLU A 1 85 ? -13.104 -8.181 8.951 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 18 -ATOM 28567 H H . GLU A 1 85 ? -8.364 -8.080 7.662 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 18 -ATOM 28568 H HA . GLU A 1 85 ? -8.578 -9.716 9.935 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 18 -ATOM 28569 H HB2 . GLU A 1 85 ? -10.010 -9.988 7.285 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 18 -ATOM 28570 H HB3 . GLU A 1 85 ? -10.550 -10.605 8.842 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 18 -ATOM 28571 H HG2 . GLU A 1 85 ? -10.754 -8.306 9.666 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 18 -ATOM 28572 H HG3 . GLU A 1 85 ? -10.247 -7.716 8.090 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 18 -ATOM 28573 N N . ALA A 1 86 ? -7.482 -11.849 9.392 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 18 -ATOM 28574 C CA . ALA A 1 86 ? -6.740 -13.098 9.187 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 18 -ATOM 28575 C C . ALA A 1 86 ? -5.299 -12.830 8.733 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 18 -ATOM 28576 O O . ALA A 1 86 ? -4.581 -13.751 8.366 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 18 -ATOM 28577 C CB . ALA A 1 86 ? -7.470 -14.026 8.213 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 18 -ATOM 28578 H H . ALA A 1 86 ? -7.731 -11.615 10.311 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 18 -ATOM 28579 H HA . ALA A 1 86 ? -6.691 -13.585 10.151 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 18 -ATOM 28580 H HB1 . ALA A 1 86 ? -7.528 -13.534 7.253 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 18 -ATOM 28581 H HB2 . ALA A 1 86 ? -8.466 -14.221 8.582 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 18 -ATOM 28582 H HB3 . ALA A 1 86 ? -6.929 -14.955 8.113 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 18 -ATOM 28583 N N . SER A 1 87 ? -4.886 -11.551 8.796 1.00 0.00 ? ? ? ? ? ? 84 SER A N 18 -ATOM 28584 C CA . SER A 1 87 ? -3.551 -11.103 8.401 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 18 -ATOM 28585 C C . SER A 1 87 ? -3.263 -11.349 6.897 1.00 0.00 ? ? ? ? ? ? 84 SER A C 18 -ATOM 28586 O O . SER A 1 87 ? -2.100 -11.419 6.484 1.00 0.00 ? ? ? ? ? ? 84 SER A O 18 -ATOM 28587 C CB . SER A 1 87 ? -2.488 -11.755 9.301 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 18 -ATOM 28588 O OG . SER A 1 87 ? -2.768 -11.468 10.672 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 18 -ATOM 28589 H H . SER A 1 87 ? -5.514 -10.881 9.148 1.00 0.00 ? ? ? ? ? ? 84 SER A H 18 -ATOM 28590 H HA . SER A 1 87 ? -3.532 -10.037 8.570 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 18 -ATOM 28591 H HB2 . SER A 1 87 ? -2.498 -12.826 9.154 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 18 -ATOM 28592 H HB3 . SER A 1 87 ? -1.515 -11.358 9.052 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 18 -ATOM 28593 H HG . SER A 1 87 ? -3.705 -11.671 10.814 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 18 -ATOM 28594 N N . GLU A 1 88 ? -4.324 -11.369 6.077 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 18 -ATOM 28595 C CA . GLU A 1 88 ? -4.202 -11.615 4.639 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 18 -ATOM 28596 C C . GLU A 1 88 ? -3.291 -10.616 3.938 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 18 -ATOM 28597 O O . GLU A 1 88 ? -2.430 -11.011 3.149 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 18 -ATOM 28598 C CB . GLU A 1 88 ? -5.572 -11.627 3.982 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 18 -ATOM 28599 C CG . GLU A 1 88 ? -6.397 -12.845 4.327 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 18 -ATOM 28600 C CD . GLU A 1 88 ? -5.714 -14.118 3.891 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 18 -ATOM 28601 O OE1 . GLU A 1 88 ? -5.787 -14.475 2.694 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 18 -ATOM 28602 O OE2 . GLU A 1 88 ? -5.081 -14.787 4.724 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 18 -ATOM 28603 H H . GLU A 1 88 ? -5.227 -11.248 6.443 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 18 -ATOM 28604 H HA . GLU A 1 88 ? -3.770 -12.599 4.524 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 18 -ATOM 28605 H HB2 . GLU A 1 88 ? -6.117 -10.748 4.295 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 18 -ATOM 28606 H HB3 . GLU A 1 88 ? -5.435 -11.596 2.915 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 18 -ATOM 28607 H HG2 . GLU A 1 88 ? -6.548 -12.877 5.396 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 18 -ATOM 28608 H HG3 . GLU A 1 88 ? -7.352 -12.776 3.827 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 18 -ATOM 28609 N N . VAL A 1 89 ? -3.445 -9.337 4.263 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 18 -ATOM 28610 C CA . VAL A 1 89 ? -2.620 -8.286 3.653 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 18 -ATOM 28611 C C . VAL A 1 89 ? -1.130 -8.449 3.985 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 18 -ATOM 28612 O O . VAL A 1 89 ? -0.274 -8.047 3.208 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 18 -ATOM 28613 C CB . VAL A 1 89 ? -3.099 -6.845 4.015 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 18 -ATOM 28614 C CG1 . VAL A 1 89 ? -4.464 -6.555 3.411 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 18 -ATOM 28615 C CG2 . VAL A 1 89 ? -3.136 -6.630 5.521 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 18 -ATOM 28616 H H . VAL A 1 89 ? -4.143 -9.093 4.901 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 18 -ATOM 28617 H HA . VAL A 1 89 ? -2.715 -8.416 2.586 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 18 -ATOM 28618 H HB . VAL A 1 89 ? -2.396 -6.146 3.586 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 18 -ATOM 28619 H HG11 . VAL A 1 89 ? -4.779 -5.562 3.696 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 18 -ATOM 28620 H HG12 . VAL A 1 89 ? -5.182 -7.277 3.770 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 18 -ATOM 28621 H HG13 . VAL A 1 89 ? -4.405 -6.614 2.334 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 18 -ATOM 28622 H HG21 . VAL A 1 89 ? -3.799 -7.357 5.967 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 18 -ATOM 28623 H HG22 . VAL A 1 89 ? -3.493 -5.633 5.736 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 18 -ATOM 28624 H HG23 . VAL A 1 89 ? -2.143 -6.752 5.929 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 18 -ATOM 28625 N N . TYR A 1 90 ? -0.836 -9.075 5.115 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 18 -ATOM 28626 C CA . TYR A 1 90 ? 0.538 -9.297 5.528 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 18 -ATOM 28627 C C . TYR A 1 90 ? 1.063 -10.527 4.836 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 18 -ATOM 28628 O O . TYR A 1 90 ? 2.165 -10.525 4.301 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 18 -ATOM 28629 C CB . TYR A 1 90 ? 0.641 -9.495 7.044 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 18 -ATOM 28630 C CG . TYR A 1 90 ? 0.176 -8.325 7.868 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 18 -ATOM 28631 C CD1 . TYR A 1 90 ? -1.161 -8.162 8.177 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 18 -ATOM 28632 C CD2 . TYR A 1 90 ? 1.075 -7.390 8.351 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 18 -ATOM 28633 C CE1 . TYR A 1 90 ? -1.592 -7.105 8.934 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 18 -ATOM 28634 C CE2 . TYR A 1 90 ? 0.650 -6.329 9.118 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 18 -ATOM 28635 C CZ . TYR A 1 90 ? -0.689 -6.193 9.406 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 18 -ATOM 28636 O OH . TYR A 1 90 ? -1.131 -5.140 10.176 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 18 -ATOM 28637 H H . TYR A 1 90 ? -1.565 -9.428 5.666 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 18 -ATOM 28638 H HA . TYR A 1 90 ? 1.127 -8.441 5.237 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 18 -ATOM 28639 H HB2 . TYR A 1 90 ? 0.042 -10.349 7.322 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 18 -ATOM 28640 H HB3 . TYR A 1 90 ? 1.671 -9.695 7.297 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 18 -ATOM 28641 H HD1 . TYR A 1 90 ? -1.872 -8.883 7.802 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 18 -ATOM 28642 H HD2 . TYR A 1 90 ? 2.123 -7.501 8.119 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 18 -ATOM 28643 H HE1 . TYR A 1 90 ? -2.640 -6.997 9.160 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 18 -ATOM 28644 H HE2 . TYR A 1 90 ? 1.368 -5.613 9.485 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 18 -ATOM 28645 H HH . TYR A 1 90 ? -1.755 -5.502 10.821 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 18 -ATOM 28646 N N . SER A 1 91 ? 0.241 -11.569 4.824 1.00 0.00 ? ? ? ? ? ? 88 SER A N 18 -ATOM 28647 C CA . SER A 1 91 ? 0.592 -12.827 4.208 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 18 -ATOM 28648 C C . SER A 1 91 ? 0.907 -12.628 2.723 1.00 0.00 ? ? ? ? ? ? 88 SER A C 18 -ATOM 28649 O O . SER A 1 91 ? 1.965 -13.026 2.266 1.00 0.00 ? ? ? ? ? ? 88 SER A O 18 -ATOM 28650 C CB . SER A 1 91 ? -0.537 -13.860 4.403 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 18 -ATOM 28651 O OG . SER A 1 91 ? -0.181 -15.156 3.898 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 18 -ATOM 28652 H H . SER A 1 91 ? -0.632 -11.489 5.268 1.00 0.00 ? ? ? ? ? ? 88 SER A H 18 -ATOM 28653 H HA . SER A 1 91 ? 1.482 -13.191 4.701 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 18 -ATOM 28654 H HB2 . SER A 1 91 ? -0.766 -13.950 5.454 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 18 -ATOM 28655 H HB3 . SER A 1 91 ? -1.409 -13.513 3.869 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 18 -ATOM 28656 H HG . SER A 1 91 ? -1.016 -15.569 3.641 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 18 -ATOM 28657 N N . GLU A 1 92 ? 0.025 -11.937 2.004 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 18 -ATOM 28658 C CA . GLU A 1 92 ? 0.196 -11.715 0.564 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 18 -ATOM 28659 C C . GLU A 1 92 ? 1.483 -10.909 0.286 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 18 -ATOM 28660 O O . GLU A 1 92 ? 2.142 -11.088 -0.743 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 18 -ATOM 28661 C CB . GLU A 1 92 ? -1.036 -10.986 0.004 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 18 -ATOM 28662 C CG . GLU A 1 92 ? -1.101 -10.924 -1.518 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 18 -ATOM 28663 C CD . GLU A 1 92 ? -1.136 -12.300 -2.142 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 18 -ATOM 28664 O OE1 . GLU A 1 92 ? -2.133 -13.031 -1.945 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 18 -ATOM 28665 O OE2 . GLU A 1 92 ? -0.178 -12.679 -2.837 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 18 -ATOM 28666 H H . GLU A 1 92 ? -0.775 -11.566 2.441 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 18 -ATOM 28667 H HA . GLU A 1 92 ? 0.282 -12.682 0.090 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 18 -ATOM 28668 H HB2 . GLU A 1 92 ? -1.923 -11.493 0.354 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 18 -ATOM 28669 H HB3 . GLU A 1 92 ? -1.039 -9.975 0.384 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 18 -ATOM 28670 H HG2 . GLU A 1 92 ? -1.995 -10.391 -1.807 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 18 -ATOM 28671 H HG3 . GLU A 1 92 ? -0.232 -10.399 -1.885 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 18 -ATOM 28672 N N . ALA A 1 93 ? 1.856 -10.069 1.232 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 18 -ATOM 28673 C CA . ALA A 1 93 ? 3.038 -9.255 1.102 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 18 -ATOM 28674 C C . ALA A 1 93 ? 4.305 -10.070 1.372 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 18 -ATOM 28675 O O . ALA A 1 93 ? 5.281 -9.982 0.625 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 18 -ATOM 28676 C CB . ALA A 1 93 ? 2.960 -8.046 2.023 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 18 -ATOM 28677 H H . ALA A 1 93 ? 1.316 -10.008 2.048 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 18 -ATOM 28678 H HA . ALA A 1 93 ? 3.075 -8.904 0.084 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 18 -ATOM 28679 H HB1 . ALA A 1 93 ? 2.945 -8.380 3.050 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 18 -ATOM 28680 H HB2 . ALA A 1 93 ? 2.056 -7.492 1.813 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 18 -ATOM 28681 H HB3 . ALA A 1 93 ? 3.818 -7.412 1.861 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 18 -ATOM 28682 N N . VAL A 1 94 ? 4.285 -10.879 2.419 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 18 -ATOM 28683 C CA . VAL A 1 94 ? 5.459 -11.659 2.787 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 18 -ATOM 28684 C C . VAL A 1 94 ? 5.635 -12.901 1.882 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 18 -ATOM 28685 O O . VAL A 1 94 ? 6.764 -13.282 1.553 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 18 -ATOM 28686 C CB . VAL A 1 94 ? 5.472 -12.036 4.303 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 18 -ATOM 28687 C CG1 . VAL A 1 94 ? 4.339 -12.968 4.676 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 18 -ATOM 28688 C CG2 . VAL A 1 94 ? 6.811 -12.612 4.717 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 18 -ATOM 28689 H H . VAL A 1 94 ? 3.470 -10.933 2.967 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 18 -ATOM 28690 H HA . VAL A 1 94 ? 6.305 -11.016 2.588 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 18 -ATOM 28691 H HB . VAL A 1 94 ? 5.321 -11.120 4.856 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 18 -ATOM 28692 H HG11 . VAL A 1 94 ? 4.416 -13.881 4.105 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 18 -ATOM 28693 H HG12 . VAL A 1 94 ? 3.400 -12.483 4.455 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 18 -ATOM 28694 H HG13 . VAL A 1 94 ? 4.392 -13.196 5.730 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 18 -ATOM 28695 H HG21 . VAL A 1 94 ? 7.018 -13.497 4.135 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 18 -ATOM 28696 H HG22 . VAL A 1 94 ? 6.779 -12.869 5.766 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 18 -ATOM 28697 H HG23 . VAL A 1 94 ? 7.586 -11.879 4.549 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 18 -ATOM 28698 N N . LYS A 1 95 ? 4.514 -13.492 1.437 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 18 -ATOM 28699 C CA . LYS A 1 95 ? 4.543 -14.653 0.522 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 18 -ATOM 28700 C C . LYS A 1 95 ? 5.128 -14.246 -0.825 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 18 -ATOM 28701 O O . LYS A 1 95 ? 5.585 -15.084 -1.592 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 18 -ATOM 28702 C CB . LYS A 1 95 ? 3.129 -15.247 0.278 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 18 -ATOM 28703 C CG . LYS A 1 95 ? 2.422 -15.896 1.476 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 18 -ATOM 28704 C CD . LYS A 1 95 ? 3.193 -17.069 2.052 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 18 -ATOM 28705 C CE . LYS A 1 95 ? 2.354 -17.844 3.075 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 18 -ATOM 28706 N NZ . LYS A 1 95 ? 1.894 -17.016 4.219 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 18 -ATOM 28707 H H . LYS A 1 95 ? 3.643 -13.149 1.745 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 18 -ATOM 28708 H HA . LYS A 1 95 ? 5.174 -15.409 0.964 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 18 -ATOM 28709 H HB2 . LYS A 1 95 ? 2.486 -14.447 -0.061 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 18 -ATOM 28710 H HB3 . LYS A 1 95 ? 3.203 -15.981 -0.509 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 18 -ATOM 28711 H HG2 . LYS A 1 95 ? 2.297 -15.153 2.250 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 18 -ATOM 28712 H HG3 . LYS A 1 95 ? 1.449 -16.238 1.154 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 18 -ATOM 28713 H HD2 . LYS A 1 95 ? 3.473 -17.735 1.250 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 18 -ATOM 28714 H HD3 . LYS A 1 95 ? 4.081 -16.695 2.539 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 18 -ATOM 28715 H HE2 . LYS A 1 95 ? 1.484 -18.235 2.569 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 18 -ATOM 28716 H HE3 . LYS A 1 95 ? 2.936 -18.671 3.450 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 18 -ATOM 28717 H HZ1 . LYS A 1 95 ? 2.688 -16.576 4.728 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 18 -ATOM 28718 H HZ2 . LYS A 1 95 ? 1.398 -17.618 4.908 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 18 -ATOM 28719 H HZ3 . LYS A 1 95 ? 1.226 -16.266 3.936 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 18 -ATOM 28720 N N . ARG A 1 96 ? 5.096 -12.955 -1.100 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 18 -ATOM 28721 C CA . ARG A 1 96 ? 5.611 -12.405 -2.335 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 18 -ATOM 28722 C C . ARG A 1 96 ? 7.114 -12.574 -2.443 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 18 -ATOM 28723 O O . ARG A 1 96 ? 7.646 -12.839 -3.524 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 18 -ATOM 28724 C CB . ARG A 1 96 ? 5.288 -10.919 -2.435 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 18 -ATOM 28725 C CG . ARG A 1 96 ? 5.868 -10.262 -3.671 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 18 -ATOM 28726 C CD . ARG A 1 96 ? 5.792 -8.766 -3.592 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 18 -ATOM 28727 N NE . ARG A 1 96 ? 6.304 -8.145 -4.809 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 18 -ATOM 28728 C CZ . ARG A 1 96 ? 5.769 -7.072 -5.363 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 18 -ATOM 28729 N NH1 . ARG A 1 96 ? 4.871 -6.383 -4.697 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 18 -ATOM 28730 N NH2 . ARG A 1 96 ? 6.162 -6.663 -6.553 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 18 -ATOM 28731 H H . ARG A 1 96 ? 4.700 -12.353 -0.436 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 18 -ATOM 28732 H HA . ARG A 1 96 ? 5.141 -12.910 -3.158 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 18 -ATOM 28733 H HB2 . ARG A 1 96 ? 4.215 -10.798 -2.456 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 18 -ATOM 28734 H HB3 . ARG A 1 96 ? 5.681 -10.417 -1.563 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 18 -ATOM 28735 H HG2 . ARG A 1 96 ? 6.903 -10.555 -3.763 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 18 -ATOM 28736 H HG3 . ARG A 1 96 ? 5.323 -10.604 -4.538 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 18 -ATOM 28737 H HD2 . ARG A 1 96 ? 4.761 -8.477 -3.456 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 18 -ATOM 28738 H HD3 . ARG A 1 96 ? 6.378 -8.427 -2.751 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 18 -ATOM 28739 H HE . ARG A 1 96 ? 7.053 -8.620 -5.240 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 18 -ATOM 28740 H HH11 . ARG A 1 96 ? 4.588 -6.621 -3.771 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 18 -ATOM 28741 H HH12 . ARG A 1 96 ? 4.358 -5.612 -5.122 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 18 -ATOM 28742 H HH21 . ARG A 1 96 ? 6.880 -7.142 -7.069 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 18 -ATOM 28743 H HH22 . ARG A 1 96 ? 5.709 -5.882 -6.991 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 18 -ATOM 28744 N N . ILE A 1 97 ? 7.769 -12.445 -1.326 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 18 -ATOM 28745 C CA . ILE A 1 97 ? 9.206 -12.389 -1.270 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 18 -ATOM 28746 C C . ILE A 1 97 ? 9.862 -13.642 -1.810 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 18 -ATOM 28747 O O . ILE A 1 97 ? 9.511 -14.771 -1.448 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 18 -ATOM 28748 C CB . ILE A 1 97 ? 9.680 -12.075 0.149 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 18 -ATOM 28749 C CG1 . ILE A 1 97 ? 9.021 -10.777 0.591 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 18 -ATOM 28750 C CG2 . ILE A 1 97 ? 11.208 -11.937 0.201 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 18 -ATOM 28751 C CD1 . ILE A 1 97 ? 9.277 -10.439 2.007 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 18 -ATOM 28752 H H . ILE A 1 97 ? 7.262 -12.415 -0.487 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 18 -ATOM 28753 H HA . ILE A 1 97 ? 9.506 -11.568 -1.903 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 18 -ATOM 28754 H HB . ILE A 1 97 ? 9.367 -12.862 0.819 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 18 -ATOM 28755 H HG12 . ILE A 1 97 ? 9.394 -9.965 -0.015 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 18 -ATOM 28756 H HG13 . ILE A 1 97 ? 7.952 -10.855 0.451 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 18 -ATOM 28757 H HG21 . ILE A 1 97 ? 11.522 -11.751 1.218 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 18 -ATOM 28758 H HG22 . ILE A 1 97 ? 11.512 -11.110 -0.424 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 18 -ATOM 28759 H HG23 . ILE A 1 97 ? 11.666 -12.845 -0.162 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 18 -ATOM 28760 H HD11 . ILE A 1 97 ? 10.347 -10.364 2.132 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 18 -ATOM 28761 H HD12 . ILE A 1 97 ? 8.867 -11.247 2.594 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 18 -ATOM 28762 H HD13 . ILE A 1 97 ? 8.790 -9.504 2.235 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 18 -ATOM 28763 N N . LEU A 1 98 ? 10.769 -13.411 -2.706 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 18 -ATOM 28764 C CA . LEU A 1 98 ? 11.531 -14.424 -3.354 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 18 -ATOM 28765 C C . LEU A 1 98 ? 12.592 -14.925 -2.402 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 18 -ATOM 28766 O O . LEU A 1 98 ? 12.389 -15.966 -1.754 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 18 -ATOM 28767 C CB . LEU A 1 98 ? 12.188 -13.814 -4.581 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 18 -ATOM 28768 C CG . LEU A 1 98 ? 11.247 -13.234 -5.647 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 18 -ATOM 28769 C CD1 . LEU A 1 98 ? 12.040 -12.649 -6.805 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 18 -ATOM 28770 C CD2 . LEU A 1 98 ? 10.270 -14.291 -6.148 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 18 -ATOM 28771 O OXT . LEU A 1 98 ? 13.634 -14.253 -2.260 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 18 -ATOM 28772 H H . LEU A 1 98 ? 10.950 -12.481 -2.953 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 18 -ATOM 28773 H HA . LEU A 1 98 ? 10.887 -15.232 -3.665 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 18 -ATOM 28774 H HB2 . LEU A 1 98 ? 12.772 -12.995 -4.184 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 18 -ATOM 28775 H HB3 . LEU A 1 98 ? 12.844 -14.542 -5.033 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 18 -ATOM 28776 H HG . LEU A 1 98 ? 10.678 -12.431 -5.203 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 18 -ATOM 28777 H HD11 . LEU A 1 98 ? 12.638 -13.423 -7.262 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 18 -ATOM 28778 H HD12 . LEU A 1 98 ? 12.685 -11.865 -6.438 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 18 -ATOM 28779 H HD13 . LEU A 1 98 ? 11.360 -12.237 -7.536 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 18 -ATOM 28780 H HD21 . LEU A 1 98 ? 9.640 -13.861 -6.912 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 18 -ATOM 28781 H HD22 . LEU A 1 98 ? 9.653 -14.630 -5.328 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 18 -ATOM 28782 H HD23 . LEU A 1 98 ? 10.816 -15.128 -6.557 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 18 -ATOM 28783 N N . MET A 1 4 ? 10.299 15.261 -2.120 1.00 0.00 ? ? ? ? ? ? 1 MET A N 19 -ATOM 28784 C CA . MET A 1 4 ? 10.644 14.142 -2.986 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 19 -ATOM 28785 C C . MET A 1 4 ? 9.410 13.334 -3.179 1.00 0.00 ? ? ? ? ? ? 1 MET A C 19 -ATOM 28786 O O . MET A 1 4 ? 8.705 13.069 -2.225 1.00 0.00 ? ? ? ? ? ? 1 MET A O 19 -ATOM 28787 C CB . MET A 1 4 ? 11.724 13.269 -2.342 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 19 -ATOM 28788 C CG . MET A 1 4 ? 12.217 12.118 -3.220 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 19 -ATOM 28789 S SD . MET A 1 4 ? 13.476 11.097 -2.409 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 19 -ATOM 28790 C CE . MET A 1 4 ? 13.830 9.911 -3.714 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 19 -ATOM 28791 H H . MET A 1 4 ? 9.935 14.915 -1.211 1.00 0.00 ? ? ? ? ? ? 1 MET A H 19 -ATOM 28792 H HA . MET A 1 4 ? 10.990 14.516 -3.938 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 19 -ATOM 28793 H HB2 . MET A 1 4 ? 12.568 13.891 -2.084 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 19 -ATOM 28794 H HB3 . MET A 1 4 ? 11.298 12.845 -1.446 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 19 -ATOM 28795 H HG2 . MET A 1 4 ? 11.374 11.490 -3.468 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 19 -ATOM 28796 H HG3 . MET A 1 4 ? 12.632 12.526 -4.129 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 19 -ATOM 28797 H HE1 . MET A 1 4 ? 12.926 9.376 -3.967 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 19 -ATOM 28798 H HE2 . MET A 1 4 ? 14.576 9.210 -3.369 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 19 -ATOM 28799 H HE3 . MET A 1 4 ? 14.199 10.432 -4.585 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 19 -ATOM 28800 N N . ALA A 1 5 ? 9.151 12.950 -4.388 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 19 -ATOM 28801 C CA . ALA A 1 5 ? 7.968 12.190 -4.708 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 19 -ATOM 28802 C C . ALA A 1 5 ? 8.361 10.862 -5.309 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 19 -ATOM 28803 O O . ALA A 1 5 ? 9.437 10.733 -5.901 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 19 -ATOM 28804 C CB . ALA A 1 5 ? 7.068 12.964 -5.657 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 19 -ATOM 28805 H H . ALA A 1 5 ? 9.807 13.150 -5.090 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 19 -ATOM 28806 H HA . ALA A 1 5 ? 7.429 12.013 -3.788 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 19 -ATOM 28807 H HB1 . ALA A 1 5 ? 6.809 13.912 -5.210 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 19 -ATOM 28808 H HB2 . ALA A 1 5 ? 6.168 12.394 -5.834 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 19 -ATOM 28809 H HB3 . ALA A 1 5 ? 7.581 13.134 -6.592 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 19 -ATOM 28810 N N . TYR A 1 6 ? 7.522 9.890 -5.147 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 19 -ATOM 28811 C CA . TYR A 1 6 ? 7.781 8.559 -5.637 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 19 -ATOM 28812 C C . TYR A 1 6 ? 6.681 8.157 -6.597 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 19 -ATOM 28813 O O . TYR A 1 6 ? 5.601 8.756 -6.597 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 19 -ATOM 28814 C CB . TYR A 1 6 ? 7.829 7.552 -4.471 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 19 -ATOM 28815 C CG . TYR A 1 6 ? 8.985 7.720 -3.487 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 19 -ATOM 28816 C CD1 . TYR A 1 6 ? 9.082 8.836 -2.664 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 19 -ATOM 28817 C CD2 . TYR A 1 6 ? 9.966 6.747 -3.378 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 19 -ATOM 28818 C CE1 . TYR A 1 6 ? 10.120 8.979 -1.769 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 19 -ATOM 28819 C CE2 . TYR A 1 6 ? 11.004 6.880 -2.477 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 19 -ATOM 28820 C CZ . TYR A 1 6 ? 11.076 7.995 -1.677 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 19 -ATOM 28821 O OH . TYR A 1 6 ? 12.111 8.125 -0.775 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 19 -ATOM 28822 H H . TYR A 1 6 ? 6.669 10.058 -4.694 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 19 -ATOM 28823 H HA . TYR A 1 6 ? 8.732 8.553 -6.147 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 19 -ATOM 28824 H HB2 . TYR A 1 6 ? 6.915 7.639 -3.903 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 19 -ATOM 28825 H HB3 . TYR A 1 6 ? 7.886 6.555 -4.883 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 19 -ATOM 28826 H HD1 . TYR A 1 6 ? 8.328 9.608 -2.737 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 19 -ATOM 28827 H HD2 . TYR A 1 6 ? 9.911 5.871 -4.007 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 19 -ATOM 28828 H HE1 . TYR A 1 6 ? 10.176 9.855 -1.141 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 19 -ATOM 28829 H HE2 . TYR A 1 6 ? 11.761 6.114 -2.401 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 19 -ATOM 28830 H HH . TYR A 1 6 ? 12.894 7.692 -1.158 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 19 -ATOM 28831 N N . PHE A 1 7 ? 6.952 7.176 -7.411 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 19 -ATOM 28832 C CA . PHE A 1 7 ? 5.966 6.640 -8.322 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 19 -ATOM 28833 C C . PHE A 1 7 ? 5.068 5.685 -7.550 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 19 -ATOM 28834 O O . PHE A 1 7 ? 5.439 5.232 -6.480 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 19 -ATOM 28835 C CB . PHE A 1 7 ? 6.649 5.921 -9.493 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 19 -ATOM 28836 C CG . PHE A 1 7 ? 7.482 6.824 -10.361 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 19 -ATOM 28837 C CD1 . PHE A 1 7 ? 6.879 7.714 -11.235 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 19 -ATOM 28838 C CD2 . PHE A 1 7 ? 8.867 6.790 -10.298 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 19 -ATOM 28839 C CE1 . PHE A 1 7 ? 7.637 8.549 -12.029 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 19 -ATOM 28840 C CE2 . PHE A 1 7 ? 9.631 7.624 -11.090 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 19 -ATOM 28841 C CZ . PHE A 1 7 ? 9.016 8.504 -11.957 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 19 -ATOM 28842 H H . PHE A 1 7 ? 7.854 6.782 -7.396 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 19 -ATOM 28843 H HA . PHE A 1 7 ? 5.371 7.460 -8.696 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 19 -ATOM 28844 H HB2 . PHE A 1 7 ? 7.309 5.166 -9.091 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 19 -ATOM 28845 H HB3 . PHE A 1 7 ? 5.906 5.439 -10.111 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 19 -ATOM 28846 H HD1 . PHE A 1 7 ? 5.800 7.750 -11.293 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 19 -ATOM 28847 H HD2 . PHE A 1 7 ? 9.349 6.102 -9.621 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 19 -ATOM 28848 H HE1 . PHE A 1 7 ? 7.154 9.238 -12.707 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 19 -ATOM 28849 H HE2 . PHE A 1 7 ? 10.710 7.587 -11.031 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 19 -ATOM 28850 H HZ . PHE A 1 7 ? 9.611 9.158 -12.578 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 19 -ATOM 28851 N N . LEU A 1 8 ? 3.908 5.400 -8.056 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 19 -ATOM 28852 C CA . LEU A 1 8 ? 2.989 4.519 -7.361 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 19 -ATOM 28853 C C . LEU A 1 8 ? 2.589 3.395 -8.325 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 19 -ATOM 28854 O O . LEU A 1 8 ? 2.258 3.664 -9.497 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 19 -ATOM 28855 C CB . LEU A 1 8 ? 1.744 5.338 -6.905 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 19 -ATOM 28856 C CG . LEU A 1 8 ? 0.903 4.820 -5.702 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 19 -ATOM 28857 C CD1 . LEU A 1 8 ? 0.345 3.430 -5.920 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 19 -ATOM 28858 C CD2 . LEU A 1 8 ? 1.702 4.879 -4.417 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 19 -ATOM 28859 H H . LEU A 1 8 ? 3.646 5.769 -8.928 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 19 -ATOM 28860 H HA . LEU A 1 8 ? 3.489 4.103 -6.499 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 19 -ATOM 28861 H HB2 . LEU A 1 8 ? 2.083 6.332 -6.654 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 19 -ATOM 28862 H HB3 . LEU A 1 8 ? 1.087 5.421 -7.759 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 19 -ATOM 28863 H HG . LEU A 1 8 ? 0.053 5.479 -5.582 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 19 -ATOM 28864 H HD11 . LEU A 1 8 ? -0.180 3.107 -5.033 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 19 -ATOM 28865 H HD12 . LEU A 1 8 ? 1.157 2.748 -6.123 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 19 -ATOM 28866 H HD13 . LEU A 1 8 ? -0.337 3.440 -6.758 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 19 -ATOM 28867 H HD21 . LEU A 1 8 ? 1.101 4.500 -3.605 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 19 -ATOM 28868 H HD22 . LEU A 1 8 ? 1.972 5.904 -4.209 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 19 -ATOM 28869 H HD23 . LEU A 1 8 ? 2.591 4.276 -4.518 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 19 -ATOM 28870 N N . ASP A 1 9 ? 2.655 2.157 -7.872 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 19 -ATOM 28871 C CA . ASP A 1 9 ? 2.235 1.026 -8.691 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 19 -ATOM 28872 C C . ASP A 1 9 ? 1.592 -0.033 -7.791 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 19 -ATOM 28873 O O . ASP A 1 9 ? 1.869 -0.072 -6.587 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 19 -ATOM 28874 C CB . ASP A 1 9 ? 3.427 0.431 -9.458 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 19 -ATOM 28875 C CG . ASP A 1 9 ? 2.985 -0.443 -10.613 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 19 -ATOM 28876 O OD1 . ASP A 1 9 ? 2.694 -1.617 -10.417 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 19 -ATOM 28877 O OD2 . ASP A 1 9 ? 2.884 0.069 -11.745 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 19 -ATOM 28878 H H . ASP A 1 9 ? 2.988 1.976 -6.963 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 19 -ATOM 28879 H HA . ASP A 1 9 ? 1.494 1.384 -9.390 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 19 -ATOM 28880 H HB2 . ASP A 1 9 ? 4.038 1.231 -9.850 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 19 -ATOM 28881 H HB3 . ASP A 1 9 ? 4.012 -0.170 -8.778 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 19 -ATOM 28882 N N . PHE A 1 10 ? 0.739 -0.866 -8.353 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 19 -ATOM 28883 C CA . PHE A 1 10 ? 0.019 -1.884 -7.599 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 19 -ATOM 28884 C C . PHE A 1 10 ? 0.338 -3.277 -8.114 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 19 -ATOM 28885 O O . PHE A 1 10 ? 0.401 -3.501 -9.332 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 19 -ATOM 28886 C CB . PHE A 1 10 ? -1.514 -1.689 -7.714 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 19 -ATOM 28887 C CG . PHE A 1 10 ? -2.076 -0.438 -7.094 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 19 -ATOM 28888 C CD1 . PHE A 1 10 ? -2.070 0.763 -7.781 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 19 -ATOM 28889 C CD2 . PHE A 1 10 ? -2.628 -0.474 -5.827 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 19 -ATOM 28890 C CE1 . PHE A 1 10 ? -2.599 1.904 -7.214 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 19 -ATOM 28891 C CE2 . PHE A 1 10 ? -3.160 0.664 -5.255 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 19 -ATOM 28892 C CZ . PHE A 1 10 ? -3.145 1.855 -5.950 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 19 -ATOM 28893 H H . PHE A 1 10 ? 0.611 -0.827 -9.324 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 19 -ATOM 28894 H HA . PHE A 1 10 ? 0.295 -1.803 -6.559 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 19 -ATOM 28895 H HB2 . PHE A 1 10 ? -1.791 -1.681 -8.757 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 19 -ATOM 28896 H HB3 . PHE A 1 10 ? -1.995 -2.536 -7.247 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 19 -ATOM 28897 H HD1 . PHE A 1 10 ? -1.643 0.803 -8.772 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 19 -ATOM 28898 H HD2 . PHE A 1 10 ? -2.637 -1.404 -5.280 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 19 -ATOM 28899 H HE1 . PHE A 1 10 ? -2.583 2.836 -7.760 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 19 -ATOM 28900 H HE2 . PHE A 1 10 ? -3.588 0.623 -4.265 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 19 -ATOM 28901 H HZ . PHE A 1 10 ? -3.560 2.748 -5.505 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 19 -ATOM 28902 N N . ASP A 1 11 ? 0.545 -4.200 -7.203 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 19 -ATOM 28903 C CA . ASP A 1 11 ? 0.660 -5.622 -7.540 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 19 -ATOM 28904 C C . ASP A 1 11 ? -0.669 -6.089 -8.124 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 19 -ATOM 28905 O O . ASP A 1 11 ? -1.704 -5.484 -7.824 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 19 -ATOM 28906 C CB . ASP A 1 11 ? 0.991 -6.444 -6.284 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 19 -ATOM 28907 C CG . ASP A 1 11 ? 0.899 -7.930 -6.525 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 19 -ATOM 28908 O OD1 . ASP A 1 11 ? 1.833 -8.527 -7.080 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 19 -ATOM 28909 O OD2 . ASP A 1 11 ? -0.137 -8.526 -6.197 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 19 -ATOM 28910 H H . ASP A 1 11 ? 0.636 -3.935 -6.261 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 19 -ATOM 28911 H HA . ASP A 1 11 ? 1.442 -5.742 -8.276 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 19 -ATOM 28912 H HB2 . ASP A 1 11 ? 1.997 -6.212 -5.964 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 19 -ATOM 28913 H HB3 . ASP A 1 11 ? 0.300 -6.178 -5.499 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 19 -ATOM 28914 N N . GLU A 1 12 ? -0.660 -7.140 -8.946 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 19 -ATOM 28915 C CA . GLU A 1 12 ? -1.883 -7.625 -9.572 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 19 -ATOM 28916 C C . GLU A 1 12 ? -2.984 -7.905 -8.539 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 19 -ATOM 28917 O O . GLU A 1 12 ? -4.131 -7.515 -8.746 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 19 -ATOM 28918 C CB . GLU A 1 12 ? -1.649 -8.886 -10.413 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 19 -ATOM 28919 C CG . GLU A 1 12 ? -1.118 -10.075 -9.641 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 19 -ATOM 28920 C CD . GLU A 1 12 ? -1.280 -11.355 -10.392 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 19 -ATOM 28921 O OE1 . GLU A 1 12 ? -0.408 -11.702 -11.213 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 19 -ATOM 28922 O OE2 . GLU A 1 12 ? -2.284 -12.051 -10.169 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 19 -ATOM 28923 H H . GLU A 1 12 ? 0.189 -7.601 -9.126 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 19 -ATOM 28924 H HA . GLU A 1 12 ? -2.235 -6.839 -10.224 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 19 -ATOM 28925 H HB2 . GLU A 1 12 ? -2.586 -9.180 -10.864 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 19 -ATOM 28926 H HB3 . GLU A 1 12 ? -0.946 -8.648 -11.198 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 19 -ATOM 28927 H HG2 . GLU A 1 12 ? -0.070 -9.926 -9.429 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 19 -ATOM 28928 H HG3 . GLU A 1 12 ? -1.662 -10.150 -8.712 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 19 -ATOM 28929 N N . ARG A 1 13 ? -2.627 -8.510 -7.403 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 19 -ATOM 28930 C CA . ARG A 1 13 ? -3.615 -8.862 -6.409 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 19 -ATOM 28931 C C . ARG A 1 13 ? -4.121 -7.637 -5.711 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 19 -ATOM 28932 O O . ARG A 1 13 ? -5.321 -7.511 -5.452 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 19 -ATOM 28933 C CB . ARG A 1 13 ? -3.107 -9.901 -5.416 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 19 -ATOM 28934 C CG . ARG A 1 13 ? -2.794 -11.249 -6.045 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 19 -ATOM 28935 C CD . ARG A 1 13 ? -2.521 -12.281 -4.977 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 19 -ATOM 28936 N NE . ARG A 1 13 ? -2.289 -13.617 -5.524 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 19 -ATOM 28937 C CZ . ARG A 1 13 ? -2.368 -14.749 -4.809 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 19 -ATOM 28938 N NH1 . ARG A 1 13 ? -2.676 -14.706 -3.516 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 19 -ATOM 28939 N NH2 . ARG A 1 13 ? -2.130 -15.923 -5.389 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 19 -ATOM 28940 H H . ARG A 1 13 ? -1.674 -8.684 -7.210 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 19 -ATOM 28941 H HA . ARG A 1 13 ? -4.448 -9.277 -6.951 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 19 -ATOM 28942 H HB2 . ARG A 1 13 ? -2.205 -9.528 -4.955 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 19 -ATOM 28943 H HB3 . ARG A 1 13 ? -3.857 -10.050 -4.654 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 19 -ATOM 28944 H HG2 . ARG A 1 13 ? -3.628 -11.570 -6.651 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 19 -ATOM 28945 H HG3 . ARG A 1 13 ? -1.916 -11.150 -6.667 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 19 -ATOM 28946 H HD2 . ARG A 1 13 ? -1.644 -11.983 -4.423 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 19 -ATOM 28947 H HD3 . ARG A 1 13 ? -3.368 -12.320 -4.308 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 19 -ATOM 28948 H HE . ARG A 1 13 ? -2.055 -13.637 -6.481 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 19 -ATOM 28949 H HH11 . ARG A 1 13 ? -2.855 -13.846 -3.016 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 19 -ATOM 28950 H HH12 . ARG A 1 13 ? -2.738 -15.533 -2.952 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 19 -ATOM 28951 H HH21 . ARG A 1 13 ? -1.895 -15.996 -6.360 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 19 -ATOM 28952 H HH22 . ARG A 1 13 ? -2.162 -16.783 -4.872 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 19 -ATOM 28953 N N . ALA A 1 14 ? -3.223 -6.707 -5.473 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 19 -ATOM 28954 C CA . ALA A 1 14 ? -3.577 -5.445 -4.866 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 19 -ATOM 28955 C C . ALA A 1 14 ? -4.493 -4.664 -5.801 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 19 -ATOM 28956 O O . ALA A 1 14 ? -5.405 -3.988 -5.367 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 19 -ATOM 28957 C CB . ALA A 1 14 ? -2.329 -4.638 -4.547 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 19 -ATOM 28958 H H . ALA A 1 14 ? -2.287 -6.885 -5.709 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 19 -ATOM 28959 H HA . ALA A 1 14 ? -4.106 -5.651 -3.947 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 19 -ATOM 28960 H HB1 . ALA A 1 14 ? -1.691 -5.201 -3.881 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 19 -ATOM 28961 H HB2 . ALA A 1 14 ? -2.614 -3.710 -4.073 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 19 -ATOM 28962 H HB3 . ALA A 1 14 ? -1.795 -4.426 -5.461 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 19 -ATOM 28963 N N . LEU A 1 15 ? -4.278 -4.824 -7.095 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 19 -ATOM 28964 C CA . LEU A 1 15 ? -5.054 -4.128 -8.093 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 19 -ATOM 28965 C C . LEU A 1 15 ? -6.449 -4.734 -8.177 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 19 -ATOM 28966 O O . LEU A 1 15 ? -7.424 -4.032 -8.447 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 19 -ATOM 28967 C CB . LEU A 1 15 ? -4.369 -4.180 -9.462 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 19 -ATOM 28968 C CG . LEU A 1 15 ? -4.978 -3.307 -10.568 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 19 -ATOM 28969 C CD1 . LEU A 1 15 ? -4.895 -1.828 -10.209 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 19 -ATOM 28970 C CD2 . LEU A 1 15 ? -4.290 -3.580 -11.897 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 19 -ATOM 28971 H H . LEU A 1 15 ? -3.568 -5.446 -7.375 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 19 -ATOM 28972 H HA . LEU A 1 15 ? -5.135 -3.099 -7.777 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 19 -ATOM 28973 H HB2 . LEU A 1 15 ? -3.326 -3.923 -9.351 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 19 -ATOM 28974 H HB3 . LEU A 1 15 ? -4.445 -5.203 -9.791 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 19 -ATOM 28975 H HG . LEU A 1 15 ? -6.023 -3.558 -10.670 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 19 -ATOM 28976 H HD11 . LEU A 1 15 ? -5.314 -1.240 -11.013 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 19 -ATOM 28977 H HD12 . LEU A 1 15 ? -3.863 -1.549 -10.057 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 19 -ATOM 28978 H HD13 . LEU A 1 15 ? -5.455 -1.645 -9.305 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 19 -ATOM 28979 H HD21 . LEU A 1 15 ? -4.415 -4.618 -12.162 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 19 -ATOM 28980 H HD22 . LEU A 1 15 ? -3.237 -3.358 -11.809 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 19 -ATOM 28981 H HD23 . LEU A 1 15 ? -4.726 -2.955 -12.663 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 19 -ATOM 28982 N N . LYS A 1 16 ? -6.538 -6.044 -7.971 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 19 -ATOM 28983 C CA . LYS A 1 16 ? -7.821 -6.744 -7.988 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 19 -ATOM 28984 C C . LYS A 1 16 ? -8.658 -6.273 -6.822 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 19 -ATOM 28985 O O . LYS A 1 16 ? -9.827 -5.944 -6.982 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 19 -ATOM 28986 C CB . LYS A 1 16 ? -7.603 -8.254 -7.892 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 19 -ATOM 28987 C CG . LYS A 1 16 ? -6.797 -8.821 -9.038 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 19 -ATOM 28988 C CD . LYS A 1 16 ? -6.344 -10.232 -8.764 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 19 -ATOM 28989 C CE . LYS A 1 16 ? -5.377 -10.709 -9.842 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 19 -ATOM 28990 N NZ . LYS A 1 16 ? -4.926 -12.101 -9.628 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 19 -ATOM 28991 H H . LYS A 1 16 ? -5.717 -6.558 -7.798 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 19 -ATOM 28992 H HA . LYS A 1 16 ? -8.327 -6.512 -8.914 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 19 -ATOM 28993 H HB2 . LYS A 1 16 ? -7.079 -8.467 -6.971 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 19 -ATOM 28994 H HB3 . LYS A 1 16 ? -8.565 -8.744 -7.874 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 19 -ATOM 28995 H HG2 . LYS A 1 16 ? -7.408 -8.816 -9.926 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 19 -ATOM 28996 H HG3 . LYS A 1 16 ? -5.930 -8.196 -9.197 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 19 -ATOM 28997 H HD2 . LYS A 1 16 ? -5.831 -10.202 -7.816 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 19 -ATOM 28998 H HD3 . LYS A 1 16 ? -7.202 -10.885 -8.709 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 19 -ATOM 28999 H HE2 . LYS A 1 16 ? -5.879 -10.656 -10.796 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 19 -ATOM 29000 H HE3 . LYS A 1 16 ? -4.519 -10.054 -9.850 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 19 -ATOM 29001 H HZ1 . LYS A 1 16 ? -4.672 -12.320 -8.644 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 19 -ATOM 29002 H HZ2 . LYS A 1 16 ? -4.035 -12.253 -10.156 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 19 -ATOM 29003 H HZ3 . LYS A 1 16 ? -5.615 -12.801 -9.969 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 19 -ATOM 29004 N N . GLU A 1 17 ? -8.026 -6.174 -5.664 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 19 -ATOM 29005 C CA . GLU A 1 17 ? -8.688 -5.695 -4.478 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 19 -ATOM 29006 C C . GLU A 1 17 ? -9.041 -4.218 -4.624 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 19 -ATOM 29007 O O . GLU A 1 17 ? -10.095 -3.805 -4.230 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 19 -ATOM 29008 C CB . GLU A 1 17 ? -7.806 -5.916 -3.263 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 19 -ATOM 29009 C CG . GLU A 1 17 ? -7.490 -7.376 -2.995 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 19 -ATOM 29010 C CD . GLU A 1 17 ? -8.714 -8.198 -2.671 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 19 -ATOM 29011 O OE1 . GLU A 1 17 ? -9.322 -7.990 -1.604 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 19 -ATOM 29012 O OE2 . GLU A 1 17 ? -9.088 -9.078 -3.470 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 19 -ATOM 29013 H H . GLU A 1 17 ? -7.088 -6.459 -5.582 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 19 -ATOM 29014 H HA . GLU A 1 17 ? -9.598 -6.261 -4.357 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 19 -ATOM 29015 H HB2 . GLU A 1 17 ? -6.875 -5.389 -3.411 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 19 -ATOM 29016 H HB3 . GLU A 1 17 ? -8.302 -5.513 -2.393 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 19 -ATOM 29017 H HG2 . GLU A 1 17 ? -7.032 -7.785 -3.884 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 19 -ATOM 29018 H HG3 . GLU A 1 17 ? -6.787 -7.440 -2.180 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 19 -ATOM 29019 N N . TRP A 1 18 ? -8.150 -3.458 -5.233 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 19 -ATOM 29020 C CA . TRP A 1 18 ? -8.339 -2.022 -5.480 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 19 -ATOM 29021 C C . TRP A 1 18 ? -9.578 -1.759 -6.357 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 19 -ATOM 29022 O O . TRP A 1 18 ? -10.332 -0.811 -6.126 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 19 -ATOM 29023 C CB . TRP A 1 18 ? -7.068 -1.461 -6.149 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 19 -ATOM 29024 C CG . TRP A 1 18 ? -7.135 -0.026 -6.556 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 19 -ATOM 29025 C CD1 . TRP A 1 18 ? -7.406 0.450 -7.801 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 19 -ATOM 29026 C CD2 . TRP A 1 18 ? -6.911 1.117 -5.725 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 19 -ATOM 29027 N NE1 . TRP A 1 18 ? -7.385 1.820 -7.797 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 19 -ATOM 29028 C CE2 . TRP A 1 18 ? -7.077 2.257 -6.534 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 19 -ATOM 29029 C CE3 . TRP A 1 18 ? -6.590 1.288 -4.374 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 19 -ATOM 29030 C CZ2 . TRP A 1 18 ? -6.931 3.548 -6.039 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 19 -ATOM 29031 C CZ3 . TRP A 1 18 ? -6.444 2.570 -3.887 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 19 -ATOM 29032 C CH2 . TRP A 1 18 ? -6.614 3.684 -4.716 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 19 -ATOM 29033 H H . TRP A 1 18 ? -7.297 -3.865 -5.502 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 19 -ATOM 29034 H HA . TRP A 1 18 ? -8.474 -1.533 -4.527 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 19 -ATOM 29035 H HB2 . TRP A 1 18 ? -6.236 -1.567 -5.469 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 19 -ATOM 29036 H HB3 . TRP A 1 18 ? -6.869 -2.050 -7.032 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 19 -ATOM 29037 H HD1 . TRP A 1 18 ? -7.613 -0.187 -8.650 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 19 -ATOM 29038 H HE1 . TRP A 1 18 ? -7.567 2.384 -8.582 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 19 -ATOM 29039 H HE3 . TRP A 1 18 ? -6.457 0.438 -3.720 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 19 -ATOM 29040 H HZ2 . TRP A 1 18 ? -7.058 4.419 -6.666 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 19 -ATOM 29041 H HZ3 . TRP A 1 18 ? -6.194 2.722 -2.848 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 19 -ATOM 29042 H HH2 . TRP A 1 18 ? -6.488 4.666 -4.287 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 19 -ATOM 29043 N N . ARG A 1 19 ? -9.777 -2.592 -7.352 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 19 -ATOM 29044 C CA . ARG A 1 19 ? -10.934 -2.469 -8.239 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 19 -ATOM 29045 C C . ARG A 1 19 ? -12.200 -2.929 -7.544 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 19 -ATOM 29046 O O . ARG A 1 19 ? -13.288 -2.383 -7.753 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 19 -ATOM 29047 C CB . ARG A 1 19 ? -10.701 -3.268 -9.501 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 19 -ATOM 29048 C CG . ARG A 1 19 ? -9.700 -2.640 -10.439 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 19 -ATOM 29049 C CD . ARG A 1 19 ? -9.327 -3.597 -11.536 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 19 -ATOM 29050 N NE . ARG A 1 19 ? -8.400 -4.630 -11.054 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 19 -ATOM 29051 C CZ . ARG A 1 19 ? -8.188 -5.804 -11.652 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 19 -ATOM 29052 N NH1 . ARG A 1 19 ? -9.063 -6.273 -12.525 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 19 -ATOM 29053 N NH2 . ARG A 1 19 ? -7.146 -6.543 -11.309 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 19 -ATOM 29054 H H . ARG A 1 19 ? -9.122 -3.311 -7.491 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 19 -ATOM 29055 H HA . ARG A 1 19 ? -11.042 -1.429 -8.502 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 19 -ATOM 29056 H HB2 . ARG A 1 19 ? -10.340 -4.251 -9.229 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 19 -ATOM 29057 H HB3 . ARG A 1 19 ? -11.639 -3.370 -10.027 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 19 -ATOM 29058 H HG2 . ARG A 1 19 ? -10.116 -1.743 -10.874 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 19 -ATOM 29059 H HG3 . ARG A 1 19 ? -8.809 -2.395 -9.879 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 19 -ATOM 29060 H HD2 . ARG A 1 19 ? -10.236 -4.075 -11.869 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 19 -ATOM 29061 H HD3 . ARG A 1 19 ? -8.869 -3.051 -12.348 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 19 -ATOM 29062 H HE . ARG A 1 19 ? -7.867 -4.343 -10.277 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 19 -ATOM 29063 H HH11 . ARG A 1 19 ? -9.907 -5.786 -12.765 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 19 -ATOM 29064 H HH12 . ARG A 1 19 ? -8.924 -7.149 -12.997 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 19 -ATOM 29065 H HH21 . ARG A 1 19 ? -6.474 -6.289 -10.614 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 19 -ATOM 29066 H HH22 . ARG A 1 19 ? -6.979 -7.424 -11.767 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 19 -ATOM 29067 N N . LYS A 1 20 ? -12.027 -3.909 -6.708 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 19 -ATOM 29068 C CA . LYS A 1 20 ? -13.092 -4.511 -5.930 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 19 -ATOM 29069 C C . LYS A 1 20 ? -13.487 -3.608 -4.762 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 19 -ATOM 29070 O O . LYS A 1 20 ? -14.577 -3.746 -4.194 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 19 -ATOM 29071 C CB . LYS A 1 20 ? -12.573 -5.832 -5.395 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 19 -ATOM 29072 C CG . LYS A 1 20 ? -13.570 -6.706 -4.652 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 19 -ATOM 29073 C CD . LYS A 1 20 ? -12.866 -7.917 -4.050 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 19 -ATOM 29074 C CE . LYS A 1 20 ? -12.104 -8.693 -5.107 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 19 -ATOM 29075 N NZ . LYS A 1 20 ? -11.380 -9.844 -4.543 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 19 -ATOM 29076 H H . LYS A 1 20 ? -11.120 -4.275 -6.626 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 19 -ATOM 29077 H HA . LYS A 1 20 ? -13.941 -4.703 -6.565 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 19 -ATOM 29078 H HB2 . LYS A 1 20 ? -12.205 -6.390 -6.242 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 19 -ATOM 29079 H HB3 . LYS A 1 20 ? -11.741 -5.623 -4.737 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 19 -ATOM 29080 H HG2 . LYS A 1 20 ? -14.027 -6.128 -3.861 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 19 -ATOM 29081 H HG3 . LYS A 1 20 ? -14.325 -7.047 -5.343 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 19 -ATOM 29082 H HD2 . LYS A 1 20 ? -12.169 -7.584 -3.296 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 19 -ATOM 29083 H HD3 . LYS A 1 20 ? -13.602 -8.566 -3.601 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 19 -ATOM 29084 H HE2 . LYS A 1 20 ? -12.792 -9.019 -5.872 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 19 -ATOM 29085 H HE3 . LYS A 1 20 ? -11.389 -8.000 -5.527 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 19 -ATOM 29086 H HZ1 . LYS A 1 20 ? -10.591 -9.522 -3.936 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 19 -ATOM 29087 H HZ2 . LYS A 1 20 ? -10.986 -10.451 -5.286 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 19 -ATOM 29088 H HZ3 . LYS A 1 20 ? -12.002 -10.435 -3.956 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 19 -ATOM 29089 N N . LEU A 1 21 ? -12.607 -2.705 -4.413 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 19 -ATOM 29090 C CA . LEU A 1 21 ? -12.821 -1.835 -3.297 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 19 -ATOM 29091 C C . LEU A 1 21 ? -13.875 -0.797 -3.604 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 19 -ATOM 29092 O O . LEU A 1 21 ? -14.186 -0.529 -4.771 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 19 -ATOM 29093 C CB . LEU A 1 21 ? -11.524 -1.144 -2.867 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 19 -ATOM 29094 C CG . LEU A 1 21 ? -10.996 -1.481 -1.465 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 19 -ATOM 29095 C CD1 . LEU A 1 21 ? -10.751 -2.972 -1.293 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 19 -ATOM 29096 C CD2 . LEU A 1 21 ? -9.730 -0.711 -1.199 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 19 -ATOM 29097 H H . LEU A 1 21 ? -11.778 -2.628 -4.929 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 19 -ATOM 29098 H HA . LEU A 1 21 ? -13.140 -2.491 -2.501 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 19 -ATOM 29099 H HB2 . LEU A 1 21 ? -10.752 -1.348 -3.591 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 19 -ATOM 29100 H HB3 . LEU A 1 21 ? -11.714 -0.080 -2.892 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 19 -ATOM 29101 H HG . LEU A 1 21 ? -11.727 -1.179 -0.732 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 19 -ATOM 29102 H HD11 . LEU A 1 21 ? -11.677 -3.513 -1.426 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 19 -ATOM 29103 H HD12 . LEU A 1 21 ? -10.368 -3.161 -0.301 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 19 -ATOM 29104 H HD13 . LEU A 1 21 ? -10.032 -3.303 -2.027 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 19 -ATOM 29105 H HD21 . LEU A 1 21 ? -9.943 0.348 -1.261 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 19 -ATOM 29106 H HD22 . LEU A 1 21 ? -8.981 -0.973 -1.931 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 19 -ATOM 29107 H HD23 . LEU A 1 21 ? -9.367 -0.943 -0.209 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 19 -ATOM 29108 N N . GLY A 1 22 ? -14.390 -0.199 -2.560 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 19 -ATOM 29109 C CA . GLY A 1 22 ? -15.414 0.784 -2.698 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 19 -ATOM 29110 C C . GLY A 1 22 ? -14.869 2.097 -3.200 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 19 -ATOM 29111 O O . GLY A 1 22 ? -13.704 2.427 -2.949 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 19 -ATOM 29112 H H . GLY A 1 22 ? -14.041 -0.428 -1.677 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 19 -ATOM 29113 H HA2 . GLY A 1 22 ? -16.148 0.411 -3.397 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 19 -ATOM 29114 H HA3 . GLY A 1 22 ? -15.885 0.941 -1.739 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 19 -ATOM 29115 N N . SER A 1 23 ? -15.712 2.836 -3.867 1.00 0.00 ? ? ? ? ? ? 20 SER A N 19 -ATOM 29116 C CA . SER A 1 23 ? -15.401 4.120 -4.466 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 19 -ATOM 29117 C C . SER A 1 23 ? -14.786 5.105 -3.450 1.00 0.00 ? ? ? ? ? ? 20 SER A C 19 -ATOM 29118 O O . SER A 1 23 ? -13.691 5.627 -3.650 1.00 0.00 ? ? ? ? ? ? 20 SER A O 19 -ATOM 29119 C CB . SER A 1 23 ? -16.702 4.665 -5.031 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 19 -ATOM 29120 O OG . SER A 1 23 ? -17.752 4.522 -4.065 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 19 -ATOM 29121 H H . SER A 1 23 ? -16.633 2.516 -3.978 1.00 0.00 ? ? ? ? ? ? 20 SER A H 19 -ATOM 29122 H HA . SER A 1 23 ? -14.718 3.966 -5.286 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 19 -ATOM 29123 H HB2 . SER A 1 23 ? -16.585 5.713 -5.267 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 19 -ATOM 29124 H HB3 . SER A 1 23 ? -16.969 4.111 -5.918 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 19 -ATOM 29125 H HG . SER A 1 23 ? -18.508 5.026 -4.390 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 19 -ATOM 29126 N N . THR A 1 24 ? -15.478 5.299 -2.365 1.00 0.00 ? ? ? ? ? ? 21 THR A N 19 -ATOM 29127 C CA . THR A 1 24 ? -15.070 6.202 -1.313 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 19 -ATOM 29128 C C . THR A 1 24 ? -13.748 5.729 -0.687 1.00 0.00 ? ? ? ? ? ? 21 THR A C 19 -ATOM 29129 O O . THR A 1 24 ? -12.878 6.537 -0.331 1.00 0.00 ? ? ? ? ? ? 21 THR A O 19 -ATOM 29130 C CB . THR A 1 24 ? -16.155 6.229 -0.228 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 19 -ATOM 29131 O OG1 . THR A 1 24 ? -17.452 6.157 -0.862 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 19 -ATOM 29132 C CG2 . THR A 1 24 ? -16.068 7.517 0.584 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 19 -ATOM 29133 H H . THR A 1 24 ? -16.340 4.841 -2.296 1.00 0.00 ? ? ? ? ? ? 21 THR A H 19 -ATOM 29134 H HA . THR A 1 24 ? -14.958 7.196 -1.718 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 19 -ATOM 29135 H HB . THR A 1 24 ? -16.020 5.381 0.427 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 19 -ATOM 29136 H HG1 . THR A 1 24 ? -17.870 5.351 -0.536 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 19 -ATOM 29137 H HG21 . THR A 1 24 ? -16.195 8.364 -0.073 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 19 -ATOM 29138 H HG22 . THR A 1 24 ? -15.106 7.578 1.069 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 19 -ATOM 29139 H HG23 . THR A 1 24 ? -16.848 7.524 1.330 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 19 -ATOM 29140 N N . VAL A 1 25 ? -13.585 4.419 -0.616 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 19 -ATOM 29141 C CA . VAL A 1 25 ? -12.421 3.833 -0.010 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 19 -ATOM 29142 C C . VAL A 1 25 ? -11.211 4.038 -0.914 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 19 -ATOM 29143 O O . VAL A 1 25 ? -10.178 4.525 -0.465 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 19 -ATOM 29144 C CB . VAL A 1 25 ? -12.629 2.320 0.251 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 19 -ATOM 29145 C CG1 . VAL A 1 25 ? -11.427 1.722 0.954 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 19 -ATOM 29146 C CG2 . VAL A 1 25 ? -13.897 2.075 1.059 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 19 -ATOM 29147 H H . VAL A 1 25 ? -14.259 3.835 -1.017 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 19 -ATOM 29148 H HA . VAL A 1 25 ? -12.247 4.329 0.934 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 19 -ATOM 29149 H HB . VAL A 1 25 ? -12.736 1.829 -0.706 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 19 -ATOM 29150 H HG11 . VAL A 1 25 ? -11.586 0.665 1.106 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 19 -ATOM 29151 H HG12 . VAL A 1 25 ? -11.296 2.202 1.912 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 19 -ATOM 29152 H HG13 . VAL A 1 25 ? -10.542 1.872 0.353 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 19 -ATOM 29153 H HG21 . VAL A 1 25 ? -14.020 1.014 1.223 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 19 -ATOM 29154 H HG22 . VAL A 1 25 ? -14.751 2.458 0.519 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 19 -ATOM 29155 H HG23 . VAL A 1 25 ? -13.819 2.580 2.011 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 19 -ATOM 29156 N N . ARG A 1 26 ? -11.371 3.731 -2.202 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 19 -ATOM 29157 C CA . ARG A 1 26 ? -10.287 3.905 -3.149 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 19 -ATOM 29158 C C . ARG A 1 26 ? -9.888 5.374 -3.280 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 19 -ATOM 29159 O O . ARG A 1 26 ? -8.705 5.684 -3.333 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 19 -ATOM 29160 C CB . ARG A 1 26 ? -10.590 3.310 -4.537 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 19 -ATOM 29161 C CG . ARG A 1 26 ? -11.783 3.923 -5.260 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 19 -ATOM 29162 C CD . ARG A 1 26 ? -11.583 3.875 -6.756 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 19 -ATOM 29163 N NE . ARG A 1 26 ? -12.674 4.508 -7.504 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 19 -ATOM 29164 C CZ . ARG A 1 26 ? -12.865 4.394 -8.826 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 19 -ATOM 29165 N NH1 . ARG A 1 26 ? -12.062 3.631 -9.564 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 19 -ATOM 29166 N NH2 . ARG A 1 26 ? -13.871 5.032 -9.400 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 19 -ATOM 29167 H H . ARG A 1 26 ? -12.224 3.348 -2.511 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 19 -ATOM 29168 H HA . ARG A 1 26 ? -9.439 3.382 -2.731 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 19 -ATOM 29169 H HB2 . ARG A 1 26 ? -9.719 3.426 -5.164 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 19 -ATOM 29170 H HB3 . ARG A 1 26 ? -10.783 2.253 -4.406 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 19 -ATOM 29171 H HG2 . ARG A 1 26 ? -12.640 3.310 -5.017 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 19 -ATOM 29172 H HG3 . ARG A 1 26 ? -11.985 4.930 -4.926 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 19 -ATOM 29173 H HD2 . ARG A 1 26 ? -10.657 4.374 -6.998 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 19 -ATOM 29174 H HD3 . ARG A 1 26 ? -11.513 2.840 -7.045 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 19 -ATOM 29175 H HE . ARG A 1 26 ? -13.288 5.070 -6.977 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 19 -ATOM 29176 H HH11 . ARG A 1 26 ? -11.300 3.118 -9.161 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 19 -ATOM 29177 H HH12 . ARG A 1 26 ? -12.168 3.548 -10.559 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 19 -ATOM 29178 H HH21 . ARG A 1 26 ? -14.497 5.606 -8.862 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 19 -ATOM 29179 H HH22 . ARG A 1 26 ? -14.059 4.973 -10.382 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 19 -ATOM 29180 N N . GLU A 1 27 ? -10.877 6.273 -3.299 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 19 -ATOM 29181 C CA . GLU A 1 27 ? -10.601 7.694 -3.408 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 19 -ATOM 29182 C C . GLU A 1 27 ? -9.783 8.197 -2.240 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 19 -ATOM 29183 O O . GLU A 1 27 ? -8.809 8.920 -2.434 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 19 -ATOM 29184 C CB . GLU A 1 27 ? -11.871 8.520 -3.601 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 19 -ATOM 29185 C CG . GLU A 1 27 ? -12.481 8.364 -4.982 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 19 -ATOM 29186 C CD . GLU A 1 27 ? -13.670 9.261 -5.210 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 19 -ATOM 29187 O OE1 . GLU A 1 27 ? -13.484 10.487 -5.386 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 19 -ATOM 29188 O OE2 . GLU A 1 27 ? -14.807 8.756 -5.254 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 19 -ATOM 29189 H H . GLU A 1 27 ? -11.812 5.970 -3.256 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 19 -ATOM 29190 H HA . GLU A 1 27 ? -9.985 7.807 -4.288 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 19 -ATOM 29191 H HB2 . GLU A 1 27 ? -12.597 8.190 -2.872 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 19 -ATOM 29192 H HB3 . GLU A 1 27 ? -11.647 9.564 -3.437 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 19 -ATOM 29193 H HG2 . GLU A 1 27 ? -11.730 8.600 -5.722 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 19 -ATOM 29194 H HG3 . GLU A 1 27 ? -12.792 7.338 -5.107 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 19 -ATOM 29195 N N . GLN A 1 28 ? -10.133 7.774 -1.037 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 19 -ATOM 29196 C CA . GLN A 1 28 ? -9.376 8.182 0.131 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 19 -ATOM 29197 C C . GLN A 1 28 ? -8.010 7.548 0.154 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 19 -ATOM 29198 O O . GLN A 1 28 ? -7.041 8.233 0.396 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 19 -ATOM 29199 C CB . GLN A 1 28 ? -10.129 7.982 1.453 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 19 -ATOM 29200 C CG . GLN A 1 28 ? -10.823 9.252 1.978 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 19 -ATOM 29201 C CD . GLN A 1 28 ? -11.781 9.939 0.999 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 19 -ATOM 29202 O OE1 . GLN A 1 28 ? -11.918 11.163 1.019 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 19 -ATOM 29203 N NE2 . GLN A 1 28 ? -12.501 9.198 0.202 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 19 -ATOM 29204 H H . GLN A 1 28 ? -10.900 7.167 -0.947 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 19 -ATOM 29205 H HA . GLN A 1 28 ? -9.206 9.241 -0.006 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 19 -ATOM 29206 H HB2 . GLN A 1 28 ? -10.873 7.210 1.329 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 19 -ATOM 29207 H HB3 . GLN A 1 28 ? -9.401 7.677 2.197 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 19 -ATOM 29208 H HG2 . GLN A 1 28 ? -11.392 8.988 2.857 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 19 -ATOM 29209 H HG3 . GLN A 1 28 ? -10.057 9.960 2.262 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 19 -ATOM 29210 H HE21 . GLN A 1 28 ? -12.429 8.217 0.245 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 19 -ATOM 29211 H HE22 . GLN A 1 28 ? -13.091 9.656 -0.434 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 19 -ATOM 29212 N N . LEU A 1 29 ? -7.923 6.255 -0.163 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 19 -ATOM 29213 C CA . LEU A 1 29 ? -6.629 5.567 -0.215 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 19 -ATOM 29214 C C . LEU A 1 29 ? -5.706 6.228 -1.213 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 19 -ATOM 29215 O O . LEU A 1 29 ? -4.527 6.403 -0.943 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 19 -ATOM 29216 C CB . LEU A 1 29 ? -6.781 4.090 -0.551 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 19 -ATOM 29217 C CG . LEU A 1 29 ? -7.444 3.219 0.509 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 19 -ATOM 29218 C CD1 . LEU A 1 29 ? -7.591 1.808 0.002 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 19 -ATOM 29219 C CD2 . LEU A 1 29 ? -6.648 3.232 1.809 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 19 -ATOM 29220 H H . LEU A 1 29 ? -8.743 5.747 -0.358 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 19 -ATOM 29221 H HA . LEU A 1 29 ? -6.180 5.662 0.763 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 19 -ATOM 29222 H HB2 . LEU A 1 29 ? -7.372 4.025 -1.453 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 19 -ATOM 29223 H HB3 . LEU A 1 29 ? -5.798 3.692 -0.757 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 19 -ATOM 29224 H HG . LEU A 1 29 ? -8.432 3.603 0.708 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 19 -ATOM 29225 H HD11 . LEU A 1 29 ? -8.076 1.204 0.753 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 19 -ATOM 29226 H HD12 . LEU A 1 29 ? -6.615 1.399 -0.208 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 19 -ATOM 29227 H HD13 . LEU A 1 29 ? -8.188 1.807 -0.899 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 19 -ATOM 29228 H HD21 . LEU A 1 29 ? -5.641 2.891 1.619 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 19 -ATOM 29229 H HD22 . LEU A 1 29 ? -7.120 2.570 2.519 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 19 -ATOM 29230 H HD23 . LEU A 1 29 ? -6.623 4.231 2.218 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 19 -ATOM 29231 N N . LYS A 1 30 ? -6.263 6.618 -2.349 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 19 -ATOM 29232 C CA . LYS A 1 30 ? -5.519 7.321 -3.374 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 19 -ATOM 29233 C C . LYS A 1 30 ? -4.959 8.626 -2.813 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 19 -ATOM 29234 O O . LYS A 1 30 ? -3.794 8.925 -2.998 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 19 -ATOM 29235 C CB . LYS A 1 30 ? -6.441 7.649 -4.534 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 19 -ATOM 29236 C CG . LYS A 1 30 ? -5.777 8.428 -5.656 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 19 -ATOM 29237 C CD . LYS A 1 30 ? -6.796 8.955 -6.642 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 19 -ATOM 29238 C CE . LYS A 1 30 ? -7.725 9.983 -5.992 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 19 -ATOM 29239 N NZ . LYS A 1 30 ? -8.707 10.516 -6.951 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 19 -ATOM 29240 H H . LYS A 1 30 ? -7.208 6.397 -2.509 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 19 -ATOM 29241 H HA . LYS A 1 30 ? -4.718 6.692 -3.729 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 19 -ATOM 29242 H HB2 . LYS A 1 30 ? -6.837 6.730 -4.942 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 19 -ATOM 29243 H HB3 . LYS A 1 30 ? -7.256 8.235 -4.141 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 19 -ATOM 29244 H HG2 . LYS A 1 30 ? -5.239 9.261 -5.228 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 19 -ATOM 29245 H HG3 . LYS A 1 30 ? -5.086 7.778 -6.172 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 19 -ATOM 29246 H HD2 . LYS A 1 30 ? -6.273 9.424 -7.462 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 19 -ATOM 29247 H HD3 . LYS A 1 30 ? -7.385 8.129 -7.010 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 19 -ATOM 29248 H HE2 . LYS A 1 30 ? -8.262 9.522 -5.176 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 19 -ATOM 29249 H HE3 . LYS A 1 30 ? -7.119 10.792 -5.609 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 19 -ATOM 29250 H HZ1 . LYS A 1 30 ? -8.218 11.028 -7.710 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 19 -ATOM 29251 H HZ2 . LYS A 1 30 ? -9.384 11.157 -6.490 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 19 -ATOM 29252 H HZ3 . LYS A 1 30 ? -9.256 9.745 -7.383 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 19 -ATOM 29253 N N . LYS A 1 31 ? -5.792 9.360 -2.077 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 19 -ATOM 29254 C CA . LYS A 1 31 ? -5.383 10.629 -1.468 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 19 -ATOM 29255 C C . LYS A 1 31 ? -4.281 10.382 -0.469 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 19 -ATOM 29256 O O . LYS A 1 31 ? -3.326 11.155 -0.375 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 19 -ATOM 29257 C CB . LYS A 1 31 ? -6.554 11.307 -0.754 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 19 -ATOM 29258 C CG . LYS A 1 31 ? -7.723 11.662 -1.641 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 19 -ATOM 29259 C CD . LYS A 1 31 ? -8.861 12.232 -0.821 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 19 -ATOM 29260 C CE . LYS A 1 31 ? -10.083 12.500 -1.675 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 19 -ATOM 29261 N NZ . LYS A 1 31 ? -11.191 13.042 -0.867 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 19 -ATOM 29262 H H . LYS A 1 31 ? -6.710 9.038 -1.936 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 19 -ATOM 29263 H HA . LYS A 1 31 ? -5.020 11.279 -2.251 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 19 -ATOM 29264 H HB2 . LYS A 1 31 ? -6.915 10.643 0.019 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 19 -ATOM 29265 H HB3 . LYS A 1 31 ? -6.193 12.212 -0.290 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 19 -ATOM 29266 H HG2 . LYS A 1 31 ? -7.407 12.399 -2.365 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 19 -ATOM 29267 H HG3 . LYS A 1 31 ? -8.066 10.774 -2.150 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 19 -ATOM 29268 H HD2 . LYS A 1 31 ? -9.127 11.529 -0.045 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 19 -ATOM 29269 H HD3 . LYS A 1 31 ? -8.538 13.159 -0.371 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 19 -ATOM 29270 H HE2 . LYS A 1 31 ? -9.827 13.210 -2.446 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 19 -ATOM 29271 H HE3 . LYS A 1 31 ? -10.397 11.572 -2.129 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 19 -ATOM 29272 H HZ1 . LYS A 1 31 ? -11.465 12.374 -0.114 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 19 -ATOM 29273 H HZ2 . LYS A 1 31 ? -12.040 13.202 -1.447 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 19 -ATOM 29274 H HZ3 . LYS A 1 31 ? -10.938 13.949 -0.430 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 19 -ATOM 29275 N N . LYS A 1 32 ? -4.402 9.275 0.246 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 19 -ATOM 29276 C CA . LYS A 1 32 ? -3.438 8.895 1.252 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 19 -ATOM 29277 C C . LYS A 1 32 ? -2.103 8.558 0.623 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 19 -ATOM 29278 O O . LYS A 1 32 ? -1.053 8.826 1.207 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 19 -ATOM 29279 C CB . LYS A 1 32 ? -3.953 7.744 2.136 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 19 -ATOM 29280 C CG . LYS A 1 32 ? -5.310 8.017 2.792 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 19 -ATOM 29281 C CD . LYS A 1 32 ? -5.289 9.248 3.677 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 19 -ATOM 29282 C CE . LYS A 1 32 ? -4.572 8.980 4.969 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 19 -ATOM 29283 N NZ . LYS A 1 32 ? -4.298 10.220 5.722 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 19 -ATOM 29284 H H . LYS A 1 32 ? -5.191 8.710 0.093 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 19 -ATOM 29285 H HA . LYS A 1 32 ? -3.279 9.768 1.859 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 19 -ATOM 29286 H HB2 . LYS A 1 32 ? -4.045 6.860 1.523 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 19 -ATOM 29287 H HB3 . LYS A 1 32 ? -3.229 7.556 2.913 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 19 -ATOM 29288 H HG2 . LYS A 1 32 ? -6.047 8.165 2.017 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 19 -ATOM 29289 H HG3 . LYS A 1 32 ? -5.586 7.157 3.386 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 19 -ATOM 29290 H HD2 . LYS A 1 32 ? -4.804 10.064 3.165 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 19 -ATOM 29291 H HD3 . LYS A 1 32 ? -6.311 9.523 3.898 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 19 -ATOM 29292 H HE2 . LYS A 1 32 ? -5.245 8.355 5.541 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 19 -ATOM 29293 H HE3 . LYS A 1 32 ? -3.659 8.443 4.770 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 19 -ATOM 29294 H HZ1 . LYS A 1 32 ? -3.631 10.823 5.190 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 19 -ATOM 29295 H HZ2 . LYS A 1 32 ? -3.870 10.001 6.644 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 19 -ATOM 29296 H HZ3 . LYS A 1 32 ? -5.177 10.754 5.874 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 19 -ATOM 29297 N N . LEU A 1 33 ? -2.150 7.973 -0.548 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 19 -ATOM 29298 C CA . LEU A 1 33 ? -0.963 7.694 -1.314 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 19 -ATOM 29299 C C . LEU A 1 33 ? -0.358 9.004 -1.803 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 19 -ATOM 29300 O O . LEU A 1 33 ? 0.833 9.229 -1.679 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 19 -ATOM 29301 C CB . LEU A 1 33 ? -1.292 6.781 -2.497 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 19 -ATOM 29302 C CG . LEU A 1 33 ? -1.908 5.425 -2.134 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 19 -ATOM 29303 C CD1 . LEU A 1 33 ? -2.255 4.637 -3.381 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 19 -ATOM 29304 C CD2 . LEU A 1 33 ? -0.978 4.631 -1.229 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 19 -ATOM 29305 H H . LEU A 1 33 ? -3.021 7.692 -0.909 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 19 -ATOM 29306 H HA . LEU A 1 33 ? -0.262 7.194 -0.663 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 19 -ATOM 29307 H HB2 . LEU A 1 33 ? -1.980 7.305 -3.145 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 19 -ATOM 29308 H HB3 . LEU A 1 33 ? -0.380 6.598 -3.046 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 19 -ATOM 29309 H HG . LEU A 1 33 ? -2.830 5.601 -1.600 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 19 -ATOM 29310 H HD11 . LEU A 1 33 ? -2.983 5.184 -3.961 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 19 -ATOM 29311 H HD12 . LEU A 1 33 ? -2.659 3.676 -3.103 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 19 -ATOM 29312 H HD13 . LEU A 1 33 ? -1.362 4.498 -3.970 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 19 -ATOM 29313 H HD21 . LEU A 1 33 ? -0.028 4.483 -1.720 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 19 -ATOM 29314 H HD22 . LEU A 1 33 ? -1.426 3.673 -1.010 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 19 -ATOM 29315 H HD23 . LEU A 1 33 ? -0.832 5.178 -0.309 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 19 -ATOM 29316 N N . VAL A 1 34 ? -1.218 9.890 -2.283 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 19 -ATOM 29317 C CA . VAL A 1 34 ? -0.815 11.188 -2.818 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 19 -ATOM 29318 C C . VAL A 1 34 ? -0.097 12.049 -1.756 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 19 -ATOM 29319 O O . VAL A 1 34 ? 0.951 12.659 -2.035 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 19 -ATOM 29320 C CB . VAL A 1 34 ? -2.057 11.944 -3.404 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 19 -ATOM 29321 C CG1 . VAL A 1 34 ? -1.742 13.383 -3.754 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 19 -ATOM 29322 C CG2 . VAL A 1 34 ? -2.565 11.223 -4.633 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 19 -ATOM 29323 H H . VAL A 1 34 ? -2.172 9.648 -2.288 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 19 -ATOM 29324 H HA . VAL A 1 34 ? -0.121 10.998 -3.625 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 19 -ATOM 29325 H HB . VAL A 1 34 ? -2.856 11.937 -2.674 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 19 -ATOM 29326 H HG11 . VAL A 1 34 ? -0.957 13.411 -4.495 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 19 -ATOM 29327 H HG12 . VAL A 1 34 ? -1.423 13.889 -2.856 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 19 -ATOM 29328 H HG13 . VAL A 1 34 ? -2.633 13.856 -4.140 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 19 -ATOM 29329 H HG21 . VAL A 1 34 ? -1.790 11.177 -5.383 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 19 -ATOM 29330 H HG22 . VAL A 1 34 ? -3.428 11.743 -5.022 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 19 -ATOM 29331 H HG23 . VAL A 1 34 ? -2.847 10.221 -4.339 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 19 -ATOM 29332 N N . GLU A 1 35 ? -0.639 12.093 -0.558 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 19 -ATOM 29333 C CA . GLU A 1 35 ? -0.001 12.818 0.529 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 19 -ATOM 29334 C C . GLU A 1 35 ? 1.303 12.118 0.977 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 19 -ATOM 29335 O O . GLU A 1 35 ? 2.370 12.759 1.102 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 19 -ATOM 29336 C CB . GLU A 1 35 ? -0.974 13.021 1.714 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 19 -ATOM 29337 C CG . GLU A 1 35 ? -1.594 11.737 2.223 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 19 -ATOM 29338 C CD . GLU A 1 35 ? -2.463 11.897 3.438 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 19 -ATOM 29339 O OE1 . GLU A 1 35 ? -3.567 12.433 3.336 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 19 -ATOM 29340 O OE2 . GLU A 1 35 ? -2.073 11.425 4.527 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 19 -ATOM 29341 H H . GLU A 1 35 ? -1.503 11.645 -0.408 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 19 -ATOM 29342 H HA . GLU A 1 35 ? 0.273 13.784 0.132 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 19 -ATOM 29343 H HB2 . GLU A 1 35 ? -0.454 13.496 2.533 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 19 -ATOM 29344 H HB3 . GLU A 1 35 ? -1.773 13.668 1.384 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 19 -ATOM 29345 H HG2 . GLU A 1 35 ? -2.200 11.337 1.425 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 19 -ATOM 29346 H HG3 . GLU A 1 35 ? -0.800 11.039 2.445 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 19 -ATOM 29347 N N . VAL A 1 36 ? 1.231 10.797 1.118 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 19 -ATOM 29348 C CA . VAL A 1 36 ? 2.317 10.007 1.666 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 19 -ATOM 29349 C C . VAL A 1 36 ? 3.576 10.078 0.808 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 19 -ATOM 29350 O O . VAL A 1 36 ? 4.650 9.995 1.323 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 19 -ATOM 29351 C CB . VAL A 1 36 ? 1.924 8.532 1.994 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 19 -ATOM 29352 C CG1 . VAL A 1 36 ? 2.048 7.595 0.796 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 19 -ATOM 29353 C CG2 . VAL A 1 36 ? 2.702 8.023 3.193 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 19 -ATOM 29354 H H . VAL A 1 36 ? 0.413 10.328 0.841 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 19 -ATOM 29355 H HA . VAL A 1 36 ? 2.567 10.500 2.595 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 19 -ATOM 29356 H HB . VAL A 1 36 ? 0.879 8.545 2.265 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 19 -ATOM 29357 H HG11 . VAL A 1 36 ? 1.445 7.978 -0.014 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 19 -ATOM 29358 H HG12 . VAL A 1 36 ? 1.708 6.607 1.066 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 19 -ATOM 29359 H HG13 . VAL A 1 36 ? 3.081 7.549 0.483 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 19 -ATOM 29360 H HG21 . VAL A 1 36 ? 2.457 6.988 3.379 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 19 -ATOM 29361 H HG22 . VAL A 1 36 ? 2.446 8.615 4.061 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 19 -ATOM 29362 H HG23 . VAL A 1 36 ? 3.756 8.121 2.992 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 19 -ATOM 29363 N N . LEU A 1 37 ? 3.412 10.268 -0.500 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 19 -ATOM 29364 C CA . LEU A 1 37 ? 4.526 10.275 -1.459 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 19 -ATOM 29365 C C . LEU A 1 37 ? 5.651 11.247 -1.099 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 19 -ATOM 29366 O O . LEU A 1 37 ? 6.793 10.992 -1.465 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 19 -ATOM 29367 C CB . LEU A 1 37 ? 4.028 10.587 -2.879 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 19 -ATOM 29368 C CG . LEU A 1 37 ? 3.139 9.538 -3.547 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 19 -ATOM 29369 C CD1 . LEU A 1 37 ? 2.671 10.025 -4.905 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 19 -ATOM 29370 C CD2 . LEU A 1 37 ? 3.876 8.213 -3.688 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 19 -ATOM 29371 H H . LEU A 1 37 ? 2.501 10.385 -0.841 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 19 -ATOM 29372 H HA . LEU A 1 37 ? 4.948 9.282 -1.476 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 19 -ATOM 29373 H HB2 . LEU A 1 37 ? 3.472 11.512 -2.834 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 19 -ATOM 29374 H HB3 . LEU A 1 37 ? 4.888 10.751 -3.513 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 19 -ATOM 29375 H HG . LEU A 1 37 ? 2.265 9.376 -2.934 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 19 -ATOM 29376 H HD11 . LEU A 1 37 ? 2.044 9.273 -5.362 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 19 -ATOM 29377 H HD12 . LEU A 1 37 ? 3.527 10.212 -5.536 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 19 -ATOM 29378 H HD13 . LEU A 1 37 ? 2.105 10.937 -4.786 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 19 -ATOM 29379 H HD21 . LEU A 1 37 ? 4.785 8.366 -4.250 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 19 -ATOM 29380 H HD22 . LEU A 1 37 ? 3.249 7.519 -4.228 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 19 -ATOM 29381 H HD23 . LEU A 1 37 ? 4.110 7.810 -2.714 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 19 -ATOM 29382 N N . GLU A 1 38 ? 5.356 12.329 -0.362 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 19 -ATOM 29383 C CA . GLU A 1 38 ? 6.428 13.271 -0.005 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 19 -ATOM 29384 C C . GLU A 1 38 ? 7.262 12.749 1.164 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 19 -ATOM 29385 O O . GLU A 1 38 ? 8.443 13.107 1.327 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 19 -ATOM 29386 C CB . GLU A 1 38 ? 5.892 14.670 0.300 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 19 -ATOM 29387 C CG . GLU A 1 38 ? 4.910 14.735 1.448 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 19 -ATOM 29388 C CD . GLU A 1 38 ? 4.365 16.112 1.629 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 19 -ATOM 29389 O OE1 . GLU A 1 38 ? 3.343 16.442 0.987 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 19 -ATOM 29390 O OE2 . GLU A 1 38 ? 4.942 16.898 2.420 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 19 -ATOM 29391 H H . GLU A 1 38 ? 4.432 12.481 -0.060 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 19 -ATOM 29392 H HA . GLU A 1 38 ? 7.083 13.326 -0.864 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 19 -ATOM 29393 H HB2 . GLU A 1 38 ? 6.728 15.307 0.551 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 19 -ATOM 29394 H HB3 . GLU A 1 38 ? 5.411 15.071 -0.578 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 19 -ATOM 29395 H HG2 . GLU A 1 38 ? 4.090 14.060 1.248 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 19 -ATOM 29396 H HG3 . GLU A 1 38 ? 5.408 14.433 2.357 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 19 -ATOM 29397 N N . SER A 1 39 ? 6.661 11.897 1.964 1.00 0.00 ? ? ? ? ? ? 36 SER A N 19 -ATOM 29398 C CA . SER A 1 39 ? 7.308 11.317 3.116 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 19 -ATOM 29399 C C . SER A 1 39 ? 6.772 9.908 3.382 1.00 0.00 ? ? ? ? ? ? 36 SER A C 19 -ATOM 29400 O O . SER A 1 39 ? 6.034 9.696 4.327 1.00 0.00 ? ? ? ? ? ? 36 SER A O 19 -ATOM 29401 C CB . SER A 1 39 ? 7.122 12.200 4.359 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 19 -ATOM 29402 O OG . SER A 1 39 ? 7.666 13.508 4.169 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 19 -ATOM 29403 H H . SER A 1 39 ? 5.749 11.597 1.753 1.00 0.00 ? ? ? ? ? ? 36 SER A H 19 -ATOM 29404 H HA . SER A 1 39 ? 8.360 11.230 2.903 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 19 -ATOM 29405 H HB2 . SER A 1 39 ? 6.068 12.292 4.574 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 19 -ATOM 29406 H HB3 . SER A 1 39 ? 7.622 11.732 5.195 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 19 -ATOM 29407 H HG . SER A 1 39 ? 8.499 13.541 4.651 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 19 -ATOM 29408 N N . PRO A 1 40 ? 7.080 8.932 2.508 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 19 -ATOM 29409 C CA . PRO A 1 40 ? 6.605 7.568 2.691 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 19 -ATOM 29410 C C . PRO A 1 40 ? 7.493 6.784 3.644 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 19 -ATOM 29411 O O . PRO A 1 40 ? 7.125 5.736 4.122 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 19 -ATOM 29412 C CB . PRO A 1 40 ? 6.663 6.992 1.280 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 19 -ATOM 29413 C CG . PRO A 1 40 ? 7.806 7.698 0.641 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 19 -ATOM 29414 C CD . PRO A 1 40 ? 7.827 9.086 1.231 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 19 -ATOM 29415 H HA . PRO A 1 40 ? 5.593 7.540 3.061 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 19 -ATOM 29416 H HB2 . PRO A 1 40 ? 6.816 5.925 1.327 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 19 -ATOM 29417 H HB3 . PRO A 1 40 ? 5.737 7.202 0.765 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 19 -ATOM 29418 H HG2 . PRO A 1 40 ? 8.726 7.179 0.868 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 19 -ATOM 29419 H HG3 . PRO A 1 40 ? 7.659 7.748 -0.427 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 19 -ATOM 29420 H HD2 . PRO A 1 40 ? 8.837 9.421 1.409 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 19 -ATOM 29421 H HD3 . PRO A 1 40 ? 7.301 9.768 0.577 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 19 -ATOM 29422 N N . ARG A 1 41 ? 8.642 7.348 3.963 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 19 -ATOM 29423 C CA . ARG A 1 41 ? 9.624 6.706 4.826 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 19 -ATOM 29424 C C . ARG A 1 41 ? 9.350 6.921 6.333 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 19 -ATOM 29425 O O . ARG A 1 41 ? 10.281 7.041 7.145 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 19 -ATOM 29426 C CB . ARG A 1 41 ? 11.071 7.089 4.389 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 19 -ATOM 29427 C CG . ARG A 1 41 ? 11.366 8.587 4.147 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 19 -ATOM 29428 C CD . ARG A 1 41 ? 11.441 9.417 5.424 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 19 -ATOM 29429 N NE . ARG A 1 41 ? 11.849 10.805 5.147 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 19 -ATOM 29430 C CZ . ARG A 1 41 ? 12.569 11.581 5.987 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 19 -ATOM 29431 N NH1 . ARG A 1 41 ? 12.874 11.142 7.214 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 19 -ATOM 29432 N NH2 . ARG A 1 41 ? 12.976 12.791 5.598 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 19 -ATOM 29433 H H . ARG A 1 41 ? 8.813 8.233 3.579 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 19 -ATOM 29434 H HA . ARG A 1 41 ? 9.496 5.647 4.652 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 19 -ATOM 29435 H HB2 . ARG A 1 41 ? 11.753 6.750 5.154 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 19 -ATOM 29436 H HB3 . ARG A 1 41 ? 11.294 6.551 3.479 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 19 -ATOM 29437 H HG2 . ARG A 1 41 ? 12.305 8.675 3.626 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 19 -ATOM 29438 H HG3 . ARG A 1 41 ? 10.582 8.986 3.517 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 19 -ATOM 29439 H HD2 . ARG A 1 41 ? 10.470 9.421 5.897 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 19 -ATOM 29440 H HD3 . ARG A 1 41 ? 12.164 8.966 6.086 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 19 -ATOM 29441 H HE . ARG A 1 41 ? 11.590 11.143 4.258 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 19 -ATOM 29442 H HH11 . ARG A 1 41 ? 12.586 10.246 7.566 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 19 -ATOM 29443 H HH12 . ARG A 1 41 ? 13.437 11.689 7.842 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 19 -ATOM 29444 H HH21 . ARG A 1 41 ? 12.775 13.166 4.688 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 19 -ATOM 29445 H HH22 . ARG A 1 41 ? 13.514 13.387 6.205 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 19 -ATOM 29446 N N . ILE A 1 42 ? 8.082 6.874 6.695 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 19 -ATOM 29447 C CA . ILE A 1 42 ? 7.634 7.047 8.074 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 19 -ATOM 29448 C C . ILE A 1 42 ? 7.767 5.704 8.806 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 19 -ATOM 29449 O O . ILE A 1 42 ? 6.979 4.778 8.571 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 19 -ATOM 29450 C CB . ILE A 1 42 ? 6.147 7.530 8.111 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 19 -ATOM 29451 C CG1 . ILE A 1 42 ? 6.012 8.874 7.379 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 19 -ATOM 29452 C CG2 . ILE A 1 42 ? 5.632 7.647 9.545 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 19 -ATOM 29453 C CD1 . ILE A 1 42 ? 4.593 9.403 7.288 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 19 -ATOM 29454 H H . ILE A 1 42 ? 7.420 6.677 5.997 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 19 -ATOM 29455 H HA . ILE A 1 42 ? 8.265 7.783 8.551 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 19 -ATOM 29456 H HB . ILE A 1 42 ? 5.544 6.797 7.597 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 19 -ATOM 29457 H HG12 . ILE A 1 42 ? 6.601 9.617 7.896 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 19 -ATOM 29458 H HG13 . ILE A 1 42 ? 6.391 8.763 6.374 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 19 -ATOM 29459 H HG21 . ILE A 1 42 ? 6.215 8.386 10.075 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 19 -ATOM 29460 H HG22 . ILE A 1 42 ? 5.729 6.691 10.040 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 19 -ATOM 29461 H HG23 . ILE A 1 42 ? 4.594 7.946 9.533 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 19 -ATOM 29462 H HD11 . ILE A 1 42 ? 4.606 10.336 6.744 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 19 -ATOM 29463 H HD12 . ILE A 1 42 ? 4.203 9.565 8.283 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 19 -ATOM 29464 H HD13 . ILE A 1 42 ? 3.975 8.690 6.764 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 19 -ATOM 29465 N N . GLU A 1 43 ? 8.749 5.609 9.698 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 19 -ATOM 29466 C CA . GLU A 1 43 ? 9.085 4.350 10.369 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 19 -ATOM 29467 C C . GLU A 1 43 ? 7.949 3.800 11.228 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 19 -ATOM 29468 O O . GLU A 1 43 ? 7.866 2.591 11.445 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 19 -ATOM 29469 C CB . GLU A 1 43 ? 10.380 4.460 11.186 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 19 -ATOM 29470 C CG . GLU A 1 43 ? 10.357 5.526 12.261 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 19 -ATOM 29471 C CD . GLU A 1 43 ? 11.590 5.513 13.108 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 19 -ATOM 29472 O OE1 . GLU A 1 43 ? 12.632 6.029 12.668 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 19 -ATOM 29473 O OE2 . GLU A 1 43 ? 11.543 4.993 14.241 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 19 -ATOM 29474 H H . GLU A 1 43 ? 9.249 6.420 9.932 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 19 -ATOM 29475 H HA . GLU A 1 43 ? 9.253 3.634 9.578 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 19 -ATOM 29476 H HB2 . GLU A 1 43 ? 10.570 3.511 11.664 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 19 -ATOM 29477 H HB3 . GLU A 1 43 ? 11.196 4.677 10.512 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 19 -ATOM 29478 H HG2 . GLU A 1 43 ? 10.283 6.492 11.786 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 19 -ATOM 29479 H HG3 . GLU A 1 43 ? 9.496 5.365 12.894 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 19 -ATOM 29480 N N . ALA A 1 44 ? 7.062 4.666 11.671 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 19 -ATOM 29481 C CA . ALA A 1 44 ? 5.930 4.264 12.504 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 19 -ATOM 29482 C C . ALA A 1 44 ? 4.967 3.344 11.745 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 19 -ATOM 29483 O O . ALA A 1 44 ? 4.249 2.538 12.350 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 19 -ATOM 29484 C CB . ALA A 1 44 ? 5.190 5.491 13.016 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 19 -ATOM 29485 H H . ALA A 1 44 ? 7.191 5.618 11.458 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 19 -ATOM 29486 H HA . ALA A 1 44 ? 6.323 3.727 13.355 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 19 -ATOM 29487 H HB1 . ALA A 1 44 ? 5.879 6.135 13.541 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 19 -ATOM 29488 H HB2 . ALA A 1 44 ? 4.401 5.185 13.687 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 19 -ATOM 29489 H HB3 . ALA A 1 44 ? 4.763 6.028 12.181 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 19 -ATOM 29490 N N . ASN A 1 45 ? 4.987 3.432 10.425 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 19 -ATOM 29491 C CA . ASN A 1 45 ? 4.091 2.633 9.599 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 19 -ATOM 29492 C C . ASN A 1 45 ? 4.779 1.387 9.075 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 19 -ATOM 29493 O O . ASN A 1 45 ? 4.161 0.592 8.369 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 19 -ATOM 29494 C CB . ASN A 1 45 ? 3.524 3.450 8.420 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 19 -ATOM 29495 C CG . ASN A 1 45 ? 2.621 4.596 8.847 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 19 -ATOM 29496 O OD1 . ASN A 1 45 ? 1.955 4.539 9.880 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 19 -ATOM 29497 N ND2 . ASN A 1 45 ? 2.586 5.645 8.053 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 19 -ATOM 29498 H H . ASN A 1 45 ? 5.621 4.045 9.994 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 19 -ATOM 29499 H HA . ASN A 1 45 ? 3.267 2.319 10.221 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 19 -ATOM 29500 H HB2 . ASN A 1 45 ? 4.345 3.866 7.857 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 19 -ATOM 29501 H HB3 . ASN A 1 45 ? 2.958 2.789 7.779 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 19 -ATOM 29502 H HD21 . ASN A 1 45 ? 3.133 5.630 7.240 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 19 -ATOM 29503 H HD22 . ASN A 1 45 ? 2.009 6.392 8.310 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 19 -ATOM 29504 N N . LYS A 1 46 ? 6.053 1.211 9.422 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 19 -ATOM 29505 C CA . LYS A 1 46 ? 6.817 0.052 8.961 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 19 -ATOM 29506 C C . LYS A 1 46 ? 6.402 -1.201 9.682 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 19 -ATOM 29507 O O . LYS A 1 46 ? 6.170 -1.194 10.894 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 19 -ATOM 29508 C CB . LYS A 1 46 ? 8.340 0.251 9.101 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 19 -ATOM 29509 C CG . LYS A 1 46 ? 8.897 1.302 8.170 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 19 -ATOM 29510 C CD . LYS A 1 46 ? 10.405 1.582 8.327 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 19 -ATOM 29511 C CE . LYS A 1 46 ? 11.316 0.463 7.797 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 19 -ATOM 29512 N NZ . LYS A 1 46 ? 11.393 -0.729 8.669 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 19 -ATOM 29513 H H . LYS A 1 46 ? 6.474 1.857 10.027 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 19 -ATOM 29514 H HA . LYS A 1 46 ? 6.587 -0.078 7.914 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 19 -ATOM 29515 H HB2 . LYS A 1 46 ? 8.566 0.538 10.117 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 19 -ATOM 29516 H HB3 . LYS A 1 46 ? 8.818 -0.692 8.882 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 19 -ATOM 29517 H HG2 . LYS A 1 46 ? 8.742 0.953 7.159 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 19 -ATOM 29518 H HG3 . LYS A 1 46 ? 8.344 2.218 8.312 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 19 -ATOM 29519 H HD2 . LYS A 1 46 ? 10.644 2.489 7.792 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 19 -ATOM 29520 H HD3 . LYS A 1 46 ? 10.611 1.736 9.376 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 19 -ATOM 29521 H HE2 . LYS A 1 46 ? 10.952 0.150 6.830 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 19 -ATOM 29522 H HE3 . LYS A 1 46 ? 12.308 0.871 7.677 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 19 -ATOM 29523 H HZ1 . LYS A 1 46 ? 11.984 -1.455 8.214 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 19 -ATOM 29524 H HZ2 . LYS A 1 46 ? 10.472 -1.153 8.887 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 19 -ATOM 29525 H HZ3 . LYS A 1 46 ? 11.853 -0.482 9.571 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 19 -ATOM 29526 N N . LEU A 1 47 ? 6.302 -2.261 8.939 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 19 -ATOM 29527 C CA . LEU A 1 47 ? 5.954 -3.548 9.484 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 19 -ATOM 29528 C C . LEU A 1 47 ? 7.210 -4.196 10.062 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 19 -ATOM 29529 O O . LEU A 1 47 ? 8.286 -4.078 9.487 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 19 -ATOM 29530 C CB . LEU A 1 47 ? 5.340 -4.415 8.397 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 19 -ATOM 29531 C CG . LEU A 1 47 ? 4.138 -3.808 7.673 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 19 -ATOM 29532 C CD1 . LEU A 1 47 ? 3.609 -4.753 6.620 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 19 -ATOM 29533 C CD2 . LEU A 1 47 ? 3.049 -3.433 8.654 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 19 -ATOM 29534 H H . LEU A 1 47 ? 6.462 -2.158 7.975 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 19 -ATOM 29535 H HA . LEU A 1 47 ? 5.231 -3.391 10.270 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 19 -ATOM 29536 H HB2 . LEU A 1 47 ? 6.106 -4.602 7.663 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 19 -ATOM 29537 H HB3 . LEU A 1 47 ? 5.033 -5.354 8.833 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 19 -ATOM 29538 H HG . LEU A 1 47 ? 4.460 -2.911 7.166 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 19 -ATOM 29539 H HD11 . LEU A 1 47 ? 3.337 -5.691 7.084 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 19 -ATOM 29540 H HD12 . LEU A 1 47 ? 4.363 -4.922 5.866 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 19 -ATOM 29541 H HD13 . LEU A 1 47 ? 2.734 -4.318 6.163 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 19 -ATOM 29542 H HD21 . LEU A 1 47 ? 2.739 -4.310 9.203 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 19 -ATOM 29543 H HD22 . LEU A 1 47 ? 2.208 -3.035 8.107 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 19 -ATOM 29544 H HD23 . LEU A 1 47 ? 3.416 -2.684 9.338 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 19 -ATOM 29545 N N . ARG A 1 48 ? 7.069 -4.873 11.174 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 19 -ATOM 29546 C CA . ARG A 1 48 ? 8.191 -5.430 11.919 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 19 -ATOM 29547 C C . ARG A 1 48 ? 8.893 -6.583 11.199 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 19 -ATOM 29548 O O . ARG A 1 48 ? 10.127 -6.650 11.175 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 19 -ATOM 29549 C CB . ARG A 1 48 ? 7.721 -5.877 13.294 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 19 -ATOM 29550 C CG . ARG A 1 48 ? 7.219 -4.745 14.167 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 19 -ATOM 29551 C CD . ARG A 1 48 ? 6.724 -5.252 15.507 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 19 -ATOM 29552 N NE . ARG A 1 48 ? 6.256 -4.154 16.354 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 19 -ATOM 29553 C CZ . ARG A 1 48 ? 5.462 -4.278 17.419 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 19 -ATOM 29554 N NH1 . ARG A 1 48 ? 5.022 -5.479 17.804 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 19 -ATOM 29555 N NH2 . ARG A 1 48 ? 5.115 -3.193 18.100 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 19 -ATOM 29556 H H . ARG A 1 48 ? 6.165 -5.020 11.532 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 19 -ATOM 29557 H HA . ARG A 1 48 ? 8.905 -4.634 12.063 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 19 -ATOM 29558 H HB2 . ARG A 1 48 ? 6.922 -6.595 13.172 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 19 -ATOM 29559 H HB3 . ARG A 1 48 ? 8.547 -6.356 13.793 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 19 -ATOM 29560 H HG2 . ARG A 1 48 ? 8.025 -4.045 14.334 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 19 -ATOM 29561 H HG3 . ARG A 1 48 ? 6.408 -4.245 13.659 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 19 -ATOM 29562 H HD2 . ARG A 1 48 ? 5.909 -5.943 15.344 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 19 -ATOM 29563 H HD3 . ARG A 1 48 ? 7.534 -5.760 16.009 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 19 -ATOM 29564 H HE . ARG A 1 48 ? 6.574 -3.259 16.091 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 19 -ATOM 29565 H HH11 . ARG A 1 48 ? 5.260 -6.331 17.330 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 19 -ATOM 29566 H HH12 . ARG A 1 48 ? 4.412 -5.592 18.593 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 19 -ATOM 29567 H HH21 . ARG A 1 48 ? 5.453 -2.294 17.804 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 19 -ATOM 29568 H HH22 . ARG A 1 48 ? 4.530 -3.220 18.914 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 19 -ATOM 29569 N N . GLY A 1 49 ? 8.124 -7.471 10.610 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 19 -ATOM 29570 C CA . GLY A 1 49 ? 8.704 -8.632 9.949 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 19 -ATOM 29571 C C . GLY A 1 49 ? 8.858 -8.431 8.466 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 19 -ATOM 29572 O O . GLY A 1 49 ? 8.993 -9.395 7.698 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 19 -ATOM 29573 H H . GLY A 1 49 ? 7.149 -7.357 10.614 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 19 -ATOM 29574 H HA2 . GLY A 1 49 ? 9.680 -8.822 10.369 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 19 -ATOM 29575 H HA3 . GLY A 1 49 ? 8.076 -9.493 10.119 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 19 -ATOM 29576 N N . MET A 1 50 ? 8.826 -7.197 8.055 1.00 0.00 ? ? ? ? ? ? 47 MET A N 19 -ATOM 29577 C CA . MET A 1 50 ? 8.947 -6.845 6.667 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 19 -ATOM 29578 C C . MET A 1 50 ? 10.002 -5.755 6.597 1.00 0.00 ? ? ? ? ? ? 47 MET A C 19 -ATOM 29579 O O . MET A 1 50 ? 10.129 -4.975 7.539 1.00 0.00 ? ? ? ? ? ? 47 MET A O 19 -ATOM 29580 C CB . MET A 1 50 ? 7.604 -6.331 6.129 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 19 -ATOM 29581 C CG . MET A 1 50 ? 6.413 -7.275 6.365 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 19 -ATOM 29582 S SD . MET A 1 50 ? 6.466 -8.810 5.405 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 19 -ATOM 29583 C CE . MET A 1 50 ? 6.042 -8.217 3.773 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 19 -ATOM 29584 H H . MET A 1 50 ? 8.755 -6.472 8.713 1.00 0.00 ? ? ? ? ? ? 47 MET A H 19 -ATOM 29585 H HA . MET A 1 50 ? 9.270 -7.714 6.112 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 19 -ATOM 29586 H HB2 . MET A 1 50 ? 7.407 -5.374 6.585 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 19 -ATOM 29587 H HB3 . MET A 1 50 ? 7.706 -6.174 5.065 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 19 -ATOM 29588 H HG2 . MET A 1 50 ? 6.395 -7.538 7.412 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 19 -ATOM 29589 H HG3 . MET A 1 50 ? 5.501 -6.746 6.126 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 19 -ATOM 29590 H HE1 . MET A 1 50 ? 5.048 -7.796 3.817 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 19 -ATOM 29591 H HE2 . MET A 1 50 ? 6.049 -9.046 3.079 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 19 -ATOM 29592 H HE3 . MET A 1 50 ? 6.746 -7.460 3.459 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 19 -ATOM 29593 N N . PRO A 1 51 ? 10.802 -5.706 5.541 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 19 -ATOM 29594 C CA . PRO A 1 51 ? 11.891 -4.731 5.438 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 19 -ATOM 29595 C C . PRO A 1 51 ? 11.431 -3.259 5.292 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 19 -ATOM 29596 O O . PRO A 1 51 ? 11.451 -2.479 6.259 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 19 -ATOM 29597 C CB . PRO A 1 51 ? 12.679 -5.191 4.202 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 19 -ATOM 29598 C CG . PRO A 1 51 ? 11.723 -6.016 3.402 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 19 -ATOM 29599 C CD . PRO A 1 51 ? 10.759 -6.625 4.380 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 19 -ATOM 29600 H HA . PRO A 1 51 ? 12.531 -4.792 6.304 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 19 -ATOM 29601 H HB2 . PRO A 1 51 ? 13.011 -4.325 3.647 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 19 -ATOM 29602 H HB3 . PRO A 1 51 ? 13.534 -5.771 4.514 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 19 -ATOM 29603 H HG2 . PRO A 1 51 ? 11.195 -5.389 2.698 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 19 -ATOM 29604 H HG3 . PRO A 1 51 ? 12.261 -6.790 2.874 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 19 -ATOM 29605 H HD2 . PRO A 1 51 ? 9.765 -6.663 3.958 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 19 -ATOM 29606 H HD3 . PRO A 1 51 ? 11.088 -7.613 4.664 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 19 -ATOM 29607 N N . ASP A 1 52 ? 10.951 -2.922 4.116 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 19 -ATOM 29608 C CA . ASP A 1 52 ? 10.613 -1.548 3.761 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 19 -ATOM 29609 C C . ASP A 1 52 ? 9.137 -1.474 3.458 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 19 -ATOM 29610 O O . ASP A 1 52 ? 8.701 -0.759 2.562 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 19 -ATOM 29611 C CB . ASP A 1 52 ? 11.393 -1.167 2.504 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 19 -ATOM 29612 C CG . ASP A 1 52 ? 11.909 0.253 2.537 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 19 -ATOM 29613 O OD1 . ASP A 1 52 ? 11.134 1.200 2.462 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 19 -ATOM 29614 O OD2 . ASP A 1 52 ? 13.154 0.430 2.660 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 19 -ATOM 29615 H H . ASP A 1 52 ? 10.814 -3.626 3.454 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 19 -ATOM 29616 H HA . ASP A 1 52 ? 10.867 -0.863 4.557 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 19 -ATOM 29617 H HB2 . ASP A 1 52 ? 12.231 -1.838 2.390 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 19 -ATOM 29618 H HB3 . ASP A 1 52 ? 10.743 -1.273 1.648 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 19 -ATOM 29619 N N . CYS A 1 53 ? 8.361 -2.223 4.196 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 19 -ATOM 29620 C CA . CYS A 1 53 ? 6.942 -2.238 3.968 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 19 -ATOM 29621 C C . CYS A 1 53 ? 6.257 -1.353 4.987 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 19 -ATOM 29622 O O . CYS A 1 53 ? 6.636 -1.345 6.170 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 19 -ATOM 29623 C CB . CYS A 1 53 ? 6.425 -3.663 4.062 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 19 -ATOM 29624 S SG . CYS A 1 53 ? 7.326 -4.827 3.009 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 19 -ATOM 29625 H H . CYS A 1 53 ? 8.746 -2.752 4.923 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 19 -ATOM 29626 H HA . CYS A 1 53 ? 6.752 -1.858 2.975 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 19 -ATOM 29627 H HB2 . CYS A 1 53 ? 6.509 -4.003 5.083 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 19 -ATOM 29628 H HB3 . CYS A 1 53 ? 5.386 -3.684 3.764 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 19 -ATOM 29629 H HG . CYS A 1 53 ? 7.451 -4.256 1.819 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 19 -ATOM 29630 N N . TYR A 1 54 ? 5.254 -0.647 4.539 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 19 -ATOM 29631 C CA . TYR A 1 54 ? 4.514 0.295 5.342 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 19 -ATOM 29632 C C . TYR A 1 54 ? 3.049 0.044 5.119 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 19 -ATOM 29633 O O . TYR A 1 54 ? 2.663 -0.514 4.078 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 19 -ATOM 29634 C CB . TYR A 1 54 ? 4.803 1.745 4.903 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 19 -ATOM 29635 C CG . TYR A 1 54 ? 6.250 2.182 4.926 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 19 -ATOM 29636 C CD1 . TYR A 1 54 ? 7.144 1.752 3.959 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 19 -ATOM 29637 C CD2 . TYR A 1 54 ? 6.714 3.038 5.900 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 19 -ATOM 29638 C CE1 . TYR A 1 54 ? 8.456 2.158 3.972 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 19 -ATOM 29639 C CE2 . TYR A 1 54 ? 8.029 3.454 5.910 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 19 -ATOM 29640 C CZ . TYR A 1 54 ? 8.891 3.007 4.944 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 19 -ATOM 29641 O OH . TYR A 1 54 ? 10.198 3.419 4.948 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 19 -ATOM 29642 H H . TYR A 1 54 ? 4.965 -0.756 3.605 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 19 -ATOM 29643 H HA . TYR A 1 54 ? 4.771 0.177 6.383 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 19 -ATOM 29644 H HB2 . TYR A 1 54 ? 4.442 1.886 3.894 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 19 -ATOM 29645 H HB3 . TYR A 1 54 ? 4.250 2.402 5.559 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 19 -ATOM 29646 H HD1 . TYR A 1 54 ? 6.798 1.078 3.189 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 19 -ATOM 29647 H HD2 . TYR A 1 54 ? 6.034 3.384 6.662 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 19 -ATOM 29648 H HE1 . TYR A 1 54 ? 9.137 1.807 3.211 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 19 -ATOM 29649 H HE2 . TYR A 1 54 ? 8.376 4.125 6.683 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 19 -ATOM 29650 H HH . TYR A 1 54 ? 10.394 3.557 4.010 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 19 -ATOM 29651 N N . LYS A 1 55 ? 2.242 0.441 6.054 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 19 -ATOM 29652 C CA . LYS A 1 55 ? 0.819 0.308 5.914 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 19 -ATOM 29653 C C . LYS A 1 55 ? 0.117 1.624 6.206 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 19 -ATOM 29654 O O . LYS A 1 55 ? 0.528 2.386 7.078 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 19 -ATOM 29655 C CB . LYS A 1 55 ? 0.270 -0.797 6.827 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 19 -ATOM 29656 C CG . LYS A 1 55 ? 0.553 -0.585 8.302 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 19 -ATOM 29657 C CD . LYS A 1 55 ? -0.108 -1.644 9.150 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 19 -ATOM 29658 C CE . LYS A 1 55 ? 0.258 -1.471 10.605 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 19 -ATOM 29659 N NZ . LYS A 1 55 ? -0.384 -2.484 11.457 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 19 -ATOM 29660 H H . LYS A 1 55 ? 2.607 0.836 6.877 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 19 -ATOM 29661 H HA . LYS A 1 55 ? 0.616 0.037 4.889 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 19 -ATOM 29662 H HB2 . LYS A 1 55 ? -0.801 -0.858 6.695 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 19 -ATOM 29663 H HB3 . LYS A 1 55 ? 0.714 -1.736 6.529 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 19 -ATOM 29664 H HG2 . LYS A 1 55 ? 1.620 -0.623 8.463 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 19 -ATOM 29665 H HG3 . LYS A 1 55 ? 0.179 0.386 8.593 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 19 -ATOM 29666 H HD2 . LYS A 1 55 ? -1.179 -1.550 9.047 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 19 -ATOM 29667 H HD3 . LYS A 1 55 ? 0.206 -2.623 8.819 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 19 -ATOM 29668 H HE2 . LYS A 1 55 ? 1.330 -1.563 10.703 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 19 -ATOM 29669 H HE3 . LYS A 1 55 ? -0.050 -0.485 10.919 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 19 -ATOM 29670 H HZ1 . LYS A 1 55 ? -0.076 -2.378 12.445 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 19 -ATOM 29671 H HZ2 . LYS A 1 55 ? -0.140 -3.449 11.149 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 19 -ATOM 29672 H HZ3 . LYS A 1 55 ? -1.419 -2.401 11.441 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 19 -ATOM 29673 N N . ILE A 1 56 ? -0.912 1.890 5.460 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 19 -ATOM 29674 C CA . ILE A 1 56 ? -1.753 3.033 5.674 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 19 -ATOM 29675 C C . ILE A 1 56 ? -3.073 2.520 6.207 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 19 -ATOM 29676 O O . ILE A 1 56 ? -3.517 1.436 5.822 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 19 -ATOM 29677 C CB . ILE A 1 56 ? -1.982 3.865 4.360 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 19 -ATOM 29678 C CG1 . ILE A 1 56 ? -0.660 4.468 3.868 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 19 -ATOM 29679 C CG2 . ILE A 1 56 ? -3.029 4.972 4.562 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 19 -ATOM 29680 C CD1 . ILE A 1 56 ? -0.795 5.314 2.614 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 19 -ATOM 29681 H H . ILE A 1 56 ? -1.119 1.271 4.723 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 19 -ATOM 29682 H HA . ILE A 1 56 ? -1.290 3.657 6.425 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 19 -ATOM 29683 H HB . ILE A 1 56 ? -2.358 3.191 3.605 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 19 -ATOM 29684 H HG12 . ILE A 1 56 ? -0.251 5.097 4.645 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 19 -ATOM 29685 H HG13 . ILE A 1 56 ? 0.035 3.668 3.660 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 19 -ATOM 29686 H HG21 . ILE A 1 56 ? -3.168 5.506 3.635 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 19 -ATOM 29687 H HG22 . ILE A 1 56 ? -2.686 5.657 5.323 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 19 -ATOM 29688 H HG23 . ILE A 1 56 ? -3.966 4.532 4.873 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 19 -ATOM 29689 H HD11 . ILE A 1 56 ? 0.165 5.732 2.350 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 19 -ATOM 29690 H HD12 . ILE A 1 56 ? -1.498 6.115 2.796 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 19 -ATOM 29691 H HD13 . ILE A 1 56 ? -1.158 4.699 1.804 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 19 -ATOM 29692 N N . LYS A 1 57 ? -3.668 3.266 7.089 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 19 -ATOM 29693 C CA . LYS A 1 57 ? -4.907 2.897 7.699 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 19 -ATOM 29694 C C . LYS A 1 57 ? -5.929 3.960 7.381 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 19 -ATOM 29695 O O . LYS A 1 57 ? -5.671 5.160 7.568 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 19 -ATOM 29696 C CB . LYS A 1 57 ? -4.784 2.648 9.242 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 19 -ATOM 29697 C CG . LYS A 1 57 ? -4.294 3.832 10.094 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 19 -ATOM 29698 C CD . LYS A 1 57 ? -2.803 4.111 9.921 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 19 -ATOM 29699 C CE . LYS A 1 57 ? -2.405 5.440 10.534 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 19 -ATOM 29700 N NZ . LYS A 1 57 ? -2.463 5.440 12.009 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 19 -ATOM 29701 H H . LYS A 1 57 ? -3.296 4.146 7.292 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 19 -ATOM 29702 H HA . LYS A 1 57 ? -5.209 1.985 7.215 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 19 -ATOM 29703 H HB2 . LYS A 1 57 ? -5.754 2.360 9.619 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 19 -ATOM 29704 H HB3 . LYS A 1 57 ? -4.105 1.821 9.390 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 19 -ATOM 29705 H HG2 . LYS A 1 57 ? -4.846 4.716 9.811 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 19 -ATOM 29706 H HG3 . LYS A 1 57 ? -4.489 3.601 11.131 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 19 -ATOM 29707 H HD2 . LYS A 1 57 ? -2.261 3.332 10.433 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 19 -ATOM 29708 H HD3 . LYS A 1 57 ? -2.519 4.101 8.882 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 19 -ATOM 29709 H HE2 . LYS A 1 57 ? -1.409 5.684 10.196 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 19 -ATOM 29710 H HE3 . LYS A 1 57 ? -3.110 6.155 10.137 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 19 -ATOM 29711 H HZ1 . LYS A 1 57 ? -2.164 6.365 12.383 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 19 -ATOM 29712 H HZ2 . LYS A 1 57 ? -1.811 4.718 12.377 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 19 -ATOM 29713 H HZ3 . LYS A 1 57 ? -3.416 5.227 12.368 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 19 -ATOM 29714 N N . LEU A 1 58 ? -7.039 3.558 6.844 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 19 -ATOM 29715 C CA . LEU A 1 58 ? -8.058 4.486 6.466 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 19 -ATOM 29716 C C . LEU A 1 58 ? -9.109 4.509 7.559 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 19 -ATOM 29717 O O . LEU A 1 58 ? -10.066 3.690 7.555 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 19 -ATOM 29718 C CB . LEU A 1 58 ? -8.676 4.081 5.107 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 19 -ATOM 29719 C CG . LEU A 1 58 ? -9.359 5.181 4.250 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 19 -ATOM 29720 C CD1 . LEU A 1 58 ? -9.915 4.574 2.990 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 19 -ATOM 29721 C CD2 . LEU A 1 58 ? -10.463 5.905 4.988 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 19 -ATOM 29722 H H . LEU A 1 58 ? -7.198 2.597 6.695 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 19 -ATOM 29723 H HA . LEU A 1 58 ? -7.612 5.466 6.378 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 19 -ATOM 29724 H HB2 . LEU A 1 58 ? -7.891 3.643 4.509 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 19 -ATOM 29725 H HB3 . LEU A 1 58 ? -9.408 3.311 5.304 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 19 -ATOM 29726 H HG . LEU A 1 58 ? -8.606 5.899 3.956 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 19 -ATOM 29727 H HD11 . LEU A 1 58 ? -10.355 5.343 2.371 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 19 -ATOM 29728 H HD12 . LEU A 1 58 ? -10.668 3.846 3.254 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 19 -ATOM 29729 H HD13 . LEU A 1 58 ? -9.115 4.087 2.456 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 19 -ATOM 29730 H HD21 . LEU A 1 58 ? -10.900 6.655 4.346 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 19 -ATOM 29731 H HD22 . LEU A 1 58 ? -10.060 6.370 5.877 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 19 -ATOM 29732 H HD23 . LEU A 1 58 ? -11.217 5.184 5.269 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 19 -ATOM 29733 N N . ARG A 1 59 ? -8.918 5.396 8.516 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 19 -ATOM 29734 C CA . ARG A 1 59 ? -9.849 5.529 9.594 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 19 -ATOM 29735 C C . ARG A 1 59 ? -11.087 6.254 9.116 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 19 -ATOM 29736 O O . ARG A 1 59 ? -11.119 7.488 9.042 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 19 -ATOM 29737 C CB . ARG A 1 59 ? -9.237 6.193 10.830 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 19 -ATOM 29738 C CG . ARG A 1 59 ? -10.228 6.355 11.976 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 19 -ATOM 29739 C CD . ARG A 1 59 ? -9.571 6.913 13.211 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 19 -ATOM 29740 N NE . ARG A 1 59 ? -10.553 7.216 14.263 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 19 -ATOM 29741 C CZ . ARG A 1 59 ? -10.251 7.419 15.554 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 19 -ATOM 29742 N NH1 . ARG A 1 59 ? -9.052 7.085 16.019 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 19 -ATOM 29743 N NH2 . ARG A 1 59 ? -11.175 7.893 16.393 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 19 -ATOM 29744 H H . ARG A 1 59 ? -8.129 5.977 8.482 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 19 -ATOM 29745 H HA . ARG A 1 59 ? -10.134 4.520 9.842 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 19 -ATOM 29746 H HB2 . ARG A 1 59 ? -8.407 5.592 11.175 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 19 -ATOM 29747 H HB3 . ARG A 1 59 ? -8.873 7.172 10.554 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 19 -ATOM 29748 H HG2 . ARG A 1 59 ? -11.014 7.027 11.666 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 19 -ATOM 29749 H HG3 . ARG A 1 59 ? -10.655 5.389 12.206 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 19 -ATOM 29750 H HD2 . ARG A 1 59 ? -8.868 6.184 13.584 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 19 -ATOM 29751 H HD3 . ARG A 1 59 ? -9.046 7.817 12.948 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 19 -ATOM 29752 H HE . ARG A 1 59 ? -11.474 7.329 13.931 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 19 -ATOM 29753 H HH11 . ARG A 1 59 ? -8.351 6.677 15.427 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 19 -ATOM 29754 H HH12 . ARG A 1 59 ? -8.793 7.217 16.978 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 19 -ATOM 29755 H HH21 . ARG A 1 59 ? -12.111 8.114 16.103 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 19 -ATOM 29756 H HH22 . ARG A 1 59 ? -10.985 8.071 17.361 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 19 -ATOM 29757 N N . SER A 1 60 ? -12.059 5.458 8.745 1.00 0.00 ? ? ? ? ? ? 57 SER A N 19 -ATOM 29758 C CA . SER A 1 60 ? -13.329 5.872 8.197 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 19 -ATOM 29759 C C . SER A 1 60 ? -14.047 4.618 7.722 1.00 0.00 ? ? ? ? ? ? 57 SER A C 19 -ATOM 29760 O O . SER A 1 60 ? -15.254 4.464 7.902 1.00 0.00 ? ? ? ? ? ? 57 SER A O 19 -ATOM 29761 C CB . SER A 1 60 ? -13.134 6.858 7.013 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 19 -ATOM 29762 O OG . SER A 1 60 ? -14.352 7.212 6.389 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 19 -ATOM 29763 H H . SER A 1 60 ? -11.910 4.495 8.871 1.00 0.00 ? ? ? ? ? ? 57 SER A H 19 -ATOM 29764 H HA . SER A 1 60 ? -13.904 6.342 8.982 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 19 -ATOM 29765 H HB2 . SER A 1 60 ? -12.670 7.762 7.379 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 19 -ATOM 29766 H HB3 . SER A 1 60 ? -12.483 6.404 6.282 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 19 -ATOM 29767 H HG . SER A 1 60 ? -14.851 7.782 6.988 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 19 -ATOM 29768 N N . SER A 1 61 ? -13.299 3.712 7.134 1.00 0.00 ? ? ? ? ? ? 58 SER A N 19 -ATOM 29769 C CA . SER A 1 61 ? -13.875 2.494 6.633 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 19 -ATOM 29770 C C . SER A 1 61 ? -13.186 1.236 7.190 1.00 0.00 ? ? ? ? ? ? 58 SER A C 19 -ATOM 29771 O O . SER A 1 61 ? -13.735 0.135 7.114 1.00 0.00 ? ? ? ? ? ? 58 SER A O 19 -ATOM 29772 C CB . SER A 1 61 ? -13.886 2.540 5.113 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 19 -ATOM 29773 O OG . SER A 1 61 ? -12.648 3.044 4.626 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 19 -ATOM 29774 H H . SER A 1 61 ? -12.342 3.869 6.984 1.00 0.00 ? ? ? ? ? ? 58 SER A H 19 -ATOM 29775 H HA . SER A 1 61 ? -14.900 2.478 6.974 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 19 -ATOM 29776 H HB2 . SER A 1 61 ? -14.052 1.549 4.718 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 19 -ATOM 29777 H HB3 . SER A 1 61 ? -14.680 3.193 4.781 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 19 -ATOM 29778 H HG . SER A 1 61 ? -12.862 3.883 4.197 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 19 -ATOM 29779 N N . GLY A 1 62 ? -11.986 1.395 7.744 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 19 -ATOM 29780 C CA . GLY A 1 62 ? -11.314 0.266 8.364 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 19 -ATOM 29781 C C . GLY A 1 62 ? -10.399 -0.470 7.420 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 19 -ATOM 29782 O O . GLY A 1 62 ? -9.888 -1.555 7.740 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 19 -ATOM 29783 H H . GLY A 1 62 ? -11.540 2.269 7.746 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 19 -ATOM 29784 H HA2 . GLY A 1 62 ? -10.733 0.620 9.201 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 19 -ATOM 29785 H HA3 . GLY A 1 62 ? -12.064 -0.421 8.730 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 19 -ATOM 29786 N N . TYR A 1 63 ? -10.179 0.097 6.276 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 19 -ATOM 29787 C CA . TYR A 1 63 ? -9.324 -0.516 5.298 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 19 -ATOM 29788 C C . TYR A 1 63 ? -7.873 -0.128 5.528 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 19 -ATOM 29789 O O . TYR A 1 63 ? -7.576 0.951 6.048 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 19 -ATOM 29790 C CB . TYR A 1 63 ? -9.759 -0.154 3.877 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 19 -ATOM 29791 C CG . TYR A 1 63 ? -11.046 -0.820 3.432 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 19 -ATOM 29792 C CD1 . TYR A 1 63 ? -12.281 -0.380 3.881 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 19 -ATOM 29793 C CD2 . TYR A 1 63 ? -11.017 -1.885 2.551 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 19 -ATOM 29794 C CE1 . TYR A 1 63 ? -13.450 -0.983 3.466 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 19 -ATOM 29795 C CE2 . TYR A 1 63 ? -12.178 -2.494 2.130 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 19 -ATOM 29796 C CZ . TYR A 1 63 ? -13.390 -2.041 2.590 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 19 -ATOM 29797 O OH . TYR A 1 63 ? -14.544 -2.653 2.176 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 19 -ATOM 29798 H H . TYR A 1 63 ? -10.588 0.966 6.085 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 19 -ATOM 29799 H HA . TYR A 1 63 ? -9.443 -1.584 5.430 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 19 -ATOM 29800 H HB2 . TYR A 1 63 ? -9.905 0.915 3.816 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 19 -ATOM 29801 H HB3 . TYR A 1 63 ? -8.977 -0.440 3.188 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 19 -ATOM 29802 H HD1 . TYR A 1 63 ? -12.313 0.452 4.570 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 19 -ATOM 29803 H HD2 . TYR A 1 63 ? -10.063 -2.239 2.192 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 19 -ATOM 29804 H HE1 . TYR A 1 63 ? -14.402 -0.625 3.828 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 19 -ATOM 29805 H HE2 . TYR A 1 63 ? -12.132 -3.324 1.440 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 19 -ATOM 29806 H HH . TYR A 1 63 ? -15.206 -1.986 1.956 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 19 -ATOM 29807 N N . ARG A 1 64 ? -6.994 -1.022 5.184 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 19 -ATOM 29808 C CA . ARG A 1 64 ? -5.574 -0.823 5.279 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 19 -ATOM 29809 C C . ARG A 1 64 ? -4.954 -1.085 3.924 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 19 -ATOM 29810 O O . ARG A 1 64 ? -5.496 -1.855 3.121 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 19 -ATOM 29811 C CB . ARG A 1 64 ? -4.903 -1.741 6.327 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 19 -ATOM 29812 C CG . ARG A 1 64 ? -5.021 -1.326 7.806 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 19 -ATOM 29813 C CD . ARG A 1 64 ? -6.433 -1.409 8.372 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 19 -ATOM 29814 N NE . ARG A 1 64 ? -6.435 -1.150 9.824 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 19 -ATOM 29815 C CZ . ARG A 1 64 ? -7.462 -1.364 10.659 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 19 -ATOM 29816 N NH1 . ARG A 1 64 ? -8.669 -1.673 10.190 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 19 -ATOM 29817 N NH2 . ARG A 1 64 ? -7.283 -1.222 11.964 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 19 -ATOM 29818 H H . ARG A 1 64 ? -7.298 -1.872 4.794 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 19 -ATOM 29819 H HA . ARG A 1 64 ? -5.402 0.209 5.546 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 19 -ATOM 29820 H HB2 . ARG A 1 64 ? -5.338 -2.724 6.233 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 19 -ATOM 29821 H HB3 . ARG A 1 64 ? -3.855 -1.815 6.078 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 19 -ATOM 29822 H HG2 . ARG A 1 64 ? -4.391 -1.978 8.392 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 19 -ATOM 29823 H HG3 . ARG A 1 64 ? -4.661 -0.312 7.902 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 19 -ATOM 29824 H HD2 . ARG A 1 64 ? -7.056 -0.676 7.880 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 19 -ATOM 29825 H HD3 . ARG A 1 64 ? -6.829 -2.397 8.194 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 19 -ATOM 29826 H HE . ARG A 1 64 ? -5.576 -0.831 10.183 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 19 -ATOM 29827 H HH11 . ARG A 1 64 ? -8.871 -1.748 9.206 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 19 -ATOM 29828 H HH12 . ARG A 1 64 ? -9.454 -1.847 10.790 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 19 -ATOM 29829 H HH21 . ARG A 1 64 ? -6.397 -0.956 12.352 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 19 -ATOM 29830 H HH22 . ARG A 1 64 ? -8.019 -1.367 12.630 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 19 -ATOM 29831 N N . LEU A 1 65 ? -3.861 -0.447 3.664 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 19 -ATOM 29832 C CA . LEU A 1 65 ? -3.152 -0.611 2.424 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 19 -ATOM 29833 C C . LEU A 1 65 ? -1.676 -0.810 2.752 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 19 -ATOM 29834 O O . LEU A 1 65 ? -1.092 0.003 3.462 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 19 -ATOM 29835 C CB . LEU A 1 65 ? -3.416 0.637 1.530 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 19 -ATOM 29836 C CG . LEU A 1 65 ? -2.865 0.643 0.086 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 19 -ATOM 29837 C CD1 . LEU A 1 65 ? -3.558 1.720 -0.728 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 19 -ATOM 29838 C CD2 . LEU A 1 65 ? -1.380 0.921 0.070 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 19 -ATOM 29839 H H . LEU A 1 65 ? -3.501 0.168 4.342 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 19 -ATOM 29840 H HA . LEU A 1 65 ? -3.530 -1.496 1.934 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 19 -ATOM 29841 H HB2 . LEU A 1 65 ? -4.485 0.774 1.469 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 19 -ATOM 29842 H HB3 . LEU A 1 65 ? -3.006 1.490 2.049 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 19 -ATOM 29843 H HG . LEU A 1 65 ? -3.047 -0.317 -0.371 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 19 -ATOM 29844 H HD11 . LEU A 1 65 ? -3.407 2.679 -0.256 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 19 -ATOM 29845 H HD12 . LEU A 1 65 ? -4.613 1.504 -0.797 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 19 -ATOM 29846 H HD13 . LEU A 1 65 ? -3.130 1.741 -1.720 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 19 -ATOM 29847 H HD21 . LEU A 1 65 ? -1.203 1.879 0.537 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 19 -ATOM 29848 H HD22 . LEU A 1 65 ? -1.034 0.947 -0.953 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 19 -ATOM 29849 H HD23 . LEU A 1 65 ? -0.859 0.149 0.617 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 19 -ATOM 29850 N N . VAL A 1 66 ? -1.093 -1.890 2.263 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 19 -ATOM 29851 C CA . VAL A 1 66 ? 0.294 -2.222 2.552 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 19 -ATOM 29852 C C . VAL A 1 66 ? 1.129 -2.118 1.282 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 19 -ATOM 29853 O O . VAL A 1 66 ? 0.806 -2.726 0.247 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 19 -ATOM 29854 C CB . VAL A 1 66 ? 0.433 -3.655 3.151 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 19 -ATOM 29855 C CG1 . VAL A 1 66 ? 1.887 -3.970 3.500 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 19 -ATOM 29856 C CG2 . VAL A 1 66 ? -0.449 -3.815 4.380 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 19 -ATOM 29857 H H . VAL A 1 66 ? -1.588 -2.486 1.655 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 19 -ATOM 29858 H HA . VAL A 1 66 ? 0.663 -1.506 3.270 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 19 -ATOM 29859 H HB . VAL A 1 66 ? 0.110 -4.363 2.403 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 19 -ATOM 29860 H HG11 . VAL A 1 66 ? 1.956 -4.968 3.906 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 19 -ATOM 29861 H HG12 . VAL A 1 66 ? 2.244 -3.264 4.235 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 19 -ATOM 29862 H HG13 . VAL A 1 66 ? 2.499 -3.899 2.612 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 19 -ATOM 29863 H HG21 . VAL A 1 66 ? -1.482 -3.658 4.105 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 19 -ATOM 29864 H HG22 . VAL A 1 66 ? -0.160 -3.092 5.127 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 19 -ATOM 29865 H HG23 . VAL A 1 66 ? -0.330 -4.810 4.783 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 19 -ATOM 29866 N N . TYR A 1 67 ? 2.188 -1.369 1.360 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 19 -ATOM 29867 C CA . TYR A 1 67 ? 3.060 -1.139 0.238 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 19 -ATOM 29868 C C . TYR A 1 67 ? 4.494 -1.170 0.688 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 19 -ATOM 29869 O O . TYR A 1 67 ? 4.762 -1.053 1.874 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 19 -ATOM 29870 C CB . TYR A 1 67 ? 2.752 0.214 -0.449 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 19 -ATOM 29871 C CG . TYR A 1 67 ? 2.882 1.463 0.421 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 19 -ATOM 29872 C CD1 . TYR A 1 67 ? 4.117 1.906 0.900 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 19 -ATOM 29873 C CD2 . TYR A 1 67 ? 1.773 2.212 0.727 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 19 -ATOM 29874 C CE1 . TYR A 1 67 ? 4.221 3.047 1.656 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 19 -ATOM 29875 C CE2 . TYR A 1 67 ? 1.870 3.352 1.481 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 19 -ATOM 29876 C CZ . TYR A 1 67 ? 3.097 3.764 1.944 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 19 -ATOM 29877 O OH . TYR A 1 67 ? 3.193 4.898 2.700 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 19 -ATOM 29878 H H . TYR A 1 67 ? 2.423 -0.962 2.227 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 19 -ATOM 29879 H HA . TYR A 1 67 ? 2.901 -1.932 -0.476 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 19 -ATOM 29880 H HB2 . TYR A 1 67 ? 3.410 0.345 -1.295 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 19 -ATOM 29881 H HB3 . TYR A 1 67 ? 1.736 0.179 -0.812 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 19 -ATOM 29882 H HD1 . TYR A 1 67 ? 5.001 1.331 0.671 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 19 -ATOM 29883 H HD2 . TYR A 1 67 ? 0.810 1.888 0.363 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 19 -ATOM 29884 H HE1 . TYR A 1 67 ? 5.185 3.372 2.017 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 19 -ATOM 29885 H HE2 . TYR A 1 67 ? 0.976 3.917 1.697 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 19 -ATOM 29886 H HH . TYR A 1 67 ? 2.493 4.891 3.357 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 19 -ATOM 29887 N N . GLN A 1 68 ? 5.398 -1.383 -0.214 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 19 -ATOM 29888 C CA . GLN A 1 68 ? 6.776 -1.229 0.125 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 19 -ATOM 29889 C C . GLN A 1 68 ? 7.333 -0.068 -0.656 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 19 -ATOM 29890 O O . GLN A 1 68 ? 6.962 0.153 -1.823 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 19 -ATOM 29891 C CB . GLN A 1 68 ? 7.636 -2.482 -0.100 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 19 -ATOM 29892 C CG . GLN A 1 68 ? 7.912 -2.835 -1.548 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 19 -ATOM 29893 C CD . GLN A 1 68 ? 9.070 -3.794 -1.671 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 19 -ATOM 29894 O OE1 . GLN A 1 68 ? 8.905 -5.001 -1.674 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 19 -ATOM 29895 N NE2 . GLN A 1 68 ? 10.262 -3.265 -1.726 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 19 -ATOM 29896 H H . GLN A 1 68 ? 5.132 -1.608 -1.135 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 19 -ATOM 29897 H HA . GLN A 1 68 ? 6.807 -0.952 1.168 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 19 -ATOM 29898 H HB2 . GLN A 1 68 ? 8.586 -2.342 0.392 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 19 -ATOM 29899 H HB3 . GLN A 1 68 ? 7.132 -3.317 0.362 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 19 -ATOM 29900 H HG2 . GLN A 1 68 ? 7.031 -3.292 -1.976 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 19 -ATOM 29901 H HG3 . GLN A 1 68 ? 8.150 -1.933 -2.093 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 19 -ATOM 29902 H HE21 . GLN A 1 68 ? 10.342 -2.289 -1.680 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 19 -ATOM 29903 H HE22 . GLN A 1 68 ? 11.040 -3.855 -1.834 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 19 -ATOM 29904 N N . VAL A 1 69 ? 8.164 0.686 -0.032 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 19 -ATOM 29905 C CA . VAL A 1 69 ? 8.797 1.788 -0.678 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 19 -ATOM 29906 C C . VAL A 1 69 ? 10.091 1.301 -1.263 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 19 -ATOM 29907 O O . VAL A 1 69 ? 10.957 0.837 -0.549 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 19 -ATOM 29908 C CB . VAL A 1 69 ? 9.071 2.949 0.314 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 19 -ATOM 29909 C CG1 . VAL A 1 69 ? 9.862 4.069 -0.345 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 19 -ATOM 29910 C CG2 . VAL A 1 69 ? 7.770 3.491 0.863 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 19 -ATOM 29911 H H . VAL A 1 69 ? 8.405 0.490 0.904 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 19 -ATOM 29912 H HA . VAL A 1 69 ? 8.153 2.141 -1.470 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 19 -ATOM 29913 H HB . VAL A 1 69 ? 9.650 2.563 1.139 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 19 -ATOM 29914 H HG11 . VAL A 1 69 ? 10.026 4.857 0.375 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 19 -ATOM 29915 H HG12 . VAL A 1 69 ? 9.314 4.453 -1.193 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 19 -ATOM 29916 H HG13 . VAL A 1 69 ? 10.814 3.676 -0.671 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 19 -ATOM 29917 H HG21 . VAL A 1 69 ? 7.987 4.275 1.574 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 19 -ATOM 29918 H HG22 . VAL A 1 69 ? 7.232 2.696 1.358 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 19 -ATOM 29919 H HG23 . VAL A 1 69 ? 7.170 3.888 0.058 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 19 -ATOM 29920 N N . ILE A 1 70 ? 10.199 1.301 -2.551 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 19 -ATOM 29921 C CA . ILE A 1 70 ? 11.436 0.946 -3.147 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 19 -ATOM 29922 C C . ILE A 1 70 ? 12.122 2.232 -3.521 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 19 -ATOM 29923 O O . ILE A 1 70 ? 11.859 2.798 -4.591 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 19 -ATOM 29924 C CB . ILE A 1 70 ? 11.274 0.070 -4.410 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 19 -ATOM 29925 C CG1 . ILE A 1 70 ? 10.284 -1.073 -4.150 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 19 -ATOM 29926 C CG2 . ILE A 1 70 ? 12.639 -0.502 -4.779 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 19 -ATOM 29927 C CD1 . ILE A 1 70 ? 9.993 -1.940 -5.362 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 19 -ATOM 29928 H H . ILE A 1 70 ? 9.447 1.572 -3.126 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 19 -ATOM 29929 H HA . ILE A 1 70 ? 12.029 0.424 -2.411 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 19 -ATOM 29930 H HB . ILE A 1 70 ? 10.918 0.684 -5.223 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 19 -ATOM 29931 H HG12 . ILE A 1 70 ? 10.685 -1.717 -3.382 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 19 -ATOM 29932 H HG13 . ILE A 1 70 ? 9.350 -0.655 -3.806 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 19 -ATOM 29933 H HG21 . ILE A 1 70 ? 13.323 0.305 -4.997 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 19 -ATOM 29934 H HG22 . ILE A 1 70 ? 12.544 -1.143 -5.643 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 19 -ATOM 29935 H HG23 . ILE A 1 70 ? 13.019 -1.075 -3.947 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 19 -ATOM 29936 H HD11 . ILE A 1 70 ? 10.912 -2.392 -5.709 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 19 -ATOM 29937 H HD12 . ILE A 1 70 ? 9.571 -1.332 -6.148 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 19 -ATOM 29938 H HD13 . ILE A 1 70 ? 9.292 -2.714 -5.089 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 19 -ATOM 29939 N N . ASP A 1 71 ? 12.983 2.707 -2.657 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 19 -ATOM 29940 C CA . ASP A 1 71 ? 13.649 3.984 -2.884 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 19 -ATOM 29941 C C . ASP A 1 71 ? 14.619 3.880 -4.042 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 19 -ATOM 29942 O O . ASP A 1 71 ? 14.756 4.807 -4.830 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 19 -ATOM 29943 C CB . ASP A 1 71 ? 14.341 4.487 -1.615 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 19 -ATOM 29944 C CG . ASP A 1 71 ? 15.005 5.835 -1.807 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 19 -ATOM 29945 O OD1 . ASP A 1 71 ? 14.340 6.880 -1.626 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 19 -ATOM 29946 O OD2 . ASP A 1 71 ? 16.211 5.872 -2.143 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 19 -ATOM 29947 H H . ASP A 1 71 ? 13.166 2.206 -1.832 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 19 -ATOM 29948 H HA . ASP A 1 71 ? 12.883 4.686 -3.172 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 19 -ATOM 29949 H HB2 . ASP A 1 71 ? 13.609 4.579 -0.825 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 19 -ATOM 29950 H HB3 . ASP A 1 71 ? 15.093 3.772 -1.316 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 19 -ATOM 29951 N N . GLU A 1 72 ? 15.213 2.700 -4.184 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 19 -ATOM 29952 C CA . GLU A 1 72 ? 16.170 2.397 -5.265 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 19 -ATOM 29953 C C . GLU A 1 72 ? 15.526 2.600 -6.641 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 19 -ATOM 29954 O O . GLU A 1 72 ? 16.187 2.981 -7.603 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 19 -ATOM 29955 C CB . GLU A 1 72 ? 16.600 0.944 -5.175 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 19 -ATOM 29956 C CG . GLU A 1 72 ? 17.066 0.505 -3.810 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 19 -ATOM 29957 C CD . GLU A 1 72 ? 17.409 -0.952 -3.789 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 19 -ATOM 29958 O OE1 . GLU A 1 72 ? 16.557 -1.776 -4.184 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 19 -ATOM 29959 O OE2 . GLU A 1 72 ? 18.540 -1.308 -3.422 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 19 -ATOM 29960 H H . GLU A 1 72 ? 15.028 2.016 -3.508 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 19 -ATOM 29961 H HA . GLU A 1 72 ? 17.039 3.028 -5.162 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 19 -ATOM 29962 H HB2 . GLU A 1 72 ? 15.766 0.321 -5.459 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 19 -ATOM 29963 H HB3 . GLU A 1 72 ? 17.404 0.779 -5.877 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 19 -ATOM 29964 H HG2 . GLU A 1 72 ? 17.936 1.077 -3.527 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 19 -ATOM 29965 H HG3 . GLU A 1 72 ? 16.270 0.681 -3.103 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 19 -ATOM 29966 N N . LYS A 1 73 ? 14.242 2.318 -6.731 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 19 -ATOM 29967 C CA . LYS A 1 73 ? 13.521 2.425 -7.995 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 19 -ATOM 29968 C C . LYS A 1 73 ? 12.656 3.684 -8.004 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 19 -ATOM 29969 O O . LYS A 1 73 ? 12.063 4.029 -9.021 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 19 -ATOM 29970 C CB . LYS A 1 73 ? 12.640 1.186 -8.210 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 19 -ATOM 29971 C CG . LYS A 1 73 ? 13.381 -0.147 -8.242 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 19 -ATOM 29972 C CD . LYS A 1 73 ? 12.402 -1.314 -8.385 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 19 -ATOM 29973 C CE . LYS A 1 73 ? 13.099 -2.659 -8.219 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 19 -ATOM 29974 N NZ . LYS A 1 73 ? 12.165 -3.810 -8.344 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 19 -ATOM 29975 H H . LYS A 1 73 ? 13.761 2.046 -5.922 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 19 -ATOM 29976 H HA . LYS A 1 73 ? 14.246 2.485 -8.793 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 19 -ATOM 29977 H HB2 . LYS A 1 73 ? 11.953 1.132 -7.379 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 19 -ATOM 29978 H HB3 . LYS A 1 73 ? 12.084 1.299 -9.130 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 19 -ATOM 29979 H HG2 . LYS A 1 73 ? 14.062 -0.151 -9.079 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 19 -ATOM 29980 H HG3 . LYS A 1 73 ? 13.937 -0.262 -7.324 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 19 -ATOM 29981 H HD2 . LYS A 1 73 ? 11.629 -1.223 -7.636 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 19 -ATOM 29982 H HD3 . LYS A 1 73 ? 11.950 -1.269 -9.366 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 19 -ATOM 29983 H HE2 . LYS A 1 73 ? 13.876 -2.754 -8.963 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 19 -ATOM 29984 H HE3 . LYS A 1 73 ? 13.542 -2.681 -7.234 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 19 -ATOM 29985 H HZ1 . LYS A 1 73 ? 12.672 -4.704 -8.184 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 19 -ATOM 29986 H HZ2 . LYS A 1 73 ? 11.761 -3.838 -9.302 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 19 -ATOM 29987 H HZ3 . LYS A 1 73 ? 11.359 -3.764 -7.688 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 19 -ATOM 29988 N N . VAL A 1 74 ? 12.604 4.358 -6.844 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 19 -ATOM 29989 C CA . VAL A 1 74 ? 11.816 5.585 -6.627 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 19 -ATOM 29990 C C . VAL A 1 74 ? 10.299 5.273 -6.806 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 19 -ATOM 29991 O O . VAL A 1 74 ? 9.495 6.119 -7.172 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 19 -ATOM 29992 C CB . VAL A 1 74 ? 12.303 6.762 -7.571 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 19 -ATOM 29993 C CG1 . VAL A 1 74 ? 11.654 8.102 -7.214 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 19 -ATOM 29994 C CG2 . VAL A 1 74 ? 13.819 6.904 -7.511 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 19 -ATOM 29995 H H . VAL A 1 74 ? 13.131 4.025 -6.089 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 19 -ATOM 29996 H HA . VAL A 1 74 ? 11.967 5.867 -5.593 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 19 -ATOM 29997 H HB . VAL A 1 74 ? 12.028 6.512 -8.586 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 19 -ATOM 29998 H HG11 . VAL A 1 74 ? 11.902 8.362 -6.195 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 19 -ATOM 29999 H HG12 . VAL A 1 74 ? 10.583 8.019 -7.313 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 19 -ATOM 30000 H HG13 . VAL A 1 74 ? 12.019 8.869 -7.881 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 19 -ATOM 30001 H HG21 . VAL A 1 74 ? 14.118 7.128 -6.498 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 19 -ATOM 30002 H HG22 . VAL A 1 74 ? 14.137 7.704 -8.163 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 19 -ATOM 30003 H HG23 . VAL A 1 74 ? 14.277 5.977 -7.822 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 19 -ATOM 30004 N N . VAL A 1 75 ? 9.907 4.067 -6.457 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 19 -ATOM 30005 C CA . VAL A 1 75 ? 8.528 3.669 -6.620 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 19 -ATOM 30006 C C . VAL A 1 75 ? 7.990 3.020 -5.347 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 19 -ATOM 30007 O O . VAL A 1 75 ? 8.691 2.276 -4.652 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 19 -ATOM 30008 C CB . VAL A 1 75 ? 8.318 2.724 -7.866 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 19 -ATOM 30009 C CG1 . VAL A 1 75 ? 9.071 1.419 -7.720 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 19 -ATOM 30010 C CG2 . VAL A 1 75 ? 6.838 2.456 -8.141 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 19 -ATOM 30011 H H . VAL A 1 75 ? 10.545 3.445 -6.045 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 19 -ATOM 30012 H HA . VAL A 1 75 ? 7.966 4.577 -6.787 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 19 -ATOM 30013 H HB . VAL A 1 75 ? 8.733 3.232 -8.725 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 19 -ATOM 30014 H HG11 . VAL A 1 75 ? 10.122 1.639 -7.630 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 19 -ATOM 30015 H HG12 . VAL A 1 75 ? 8.898 0.803 -8.591 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 19 -ATOM 30016 H HG13 . VAL A 1 75 ? 8.732 0.904 -6.834 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 19 -ATOM 30017 H HG21 . VAL A 1 75 ? 6.740 1.810 -9.001 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 19 -ATOM 30018 H HG22 . VAL A 1 75 ? 6.328 3.388 -8.331 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 19 -ATOM 30019 H HG23 . VAL A 1 75 ? 6.398 1.977 -7.279 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 19 -ATOM 30020 N N . VAL A 1 76 ? 6.788 3.364 -5.030 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 19 -ATOM 30021 C CA . VAL A 1 76 ? 6.054 2.798 -3.955 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 19 -ATOM 30022 C C . VAL A 1 76 ? 5.180 1.709 -4.553 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 19 -ATOM 30023 O O . VAL A 1 76 ? 4.298 1.982 -5.387 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 19 -ATOM 30024 C CB . VAL A 1 76 ? 5.182 3.882 -3.267 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 19 -ATOM 30025 C CG1 . VAL A 1 76 ? 4.300 3.281 -2.204 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 19 -ATOM 30026 C CG2 . VAL A 1 76 ? 6.062 4.958 -2.656 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 19 -ATOM 30027 H H . VAL A 1 76 ? 6.330 4.044 -5.572 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 19 -ATOM 30028 H HA . VAL A 1 76 ? 6.744 2.371 -3.243 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 19 -ATOM 30029 H HB . VAL A 1 76 ? 4.562 4.346 -4.019 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 19 -ATOM 30030 H HG11 . VAL A 1 76 ? 3.707 4.058 -1.745 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 19 -ATOM 30031 H HG12 . VAL A 1 76 ? 4.914 2.806 -1.454 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 19 -ATOM 30032 H HG13 . VAL A 1 76 ? 3.646 2.547 -2.654 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 19 -ATOM 30033 H HG21 . VAL A 1 76 ? 5.446 5.706 -2.178 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 19 -ATOM 30034 H HG22 . VAL A 1 76 ? 6.651 5.419 -3.436 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 19 -ATOM 30035 H HG23 . VAL A 1 76 ? 6.721 4.512 -1.928 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 19 -ATOM 30036 N N . PHE A 1 77 ? 5.442 0.501 -4.169 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 19 -ATOM 30037 C CA . PHE A 1 77 ? 4.774 -0.633 -4.735 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 19 -ATOM 30038 C C . PHE A 1 77 ? 3.769 -1.188 -3.747 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 19 -ATOM 30039 O O . PHE A 1 77 ? 4.151 -1.708 -2.690 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 19 -ATOM 30040 C CB . PHE A 1 77 ? 5.814 -1.696 -5.118 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 19 -ATOM 30041 C CG . PHE A 1 77 ? 5.252 -2.912 -5.797 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 19 -ATOM 30042 C CD1 . PHE A 1 77 ? 4.900 -2.868 -7.134 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 19 -ATOM 30043 C CD2 . PHE A 1 77 ? 5.079 -4.098 -5.100 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 19 -ATOM 30044 C CE1 . PHE A 1 77 ? 4.389 -3.979 -7.764 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 19 -ATOM 30045 C CE2 . PHE A 1 77 ? 4.567 -5.214 -5.725 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 19 -ATOM 30046 C CZ . PHE A 1 77 ? 4.221 -5.154 -7.060 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 19 -ATOM 30047 H H . PHE A 1 77 ? 6.098 0.359 -3.451 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 19 -ATOM 30048 H HA . PHE A 1 77 ? 4.260 -0.314 -5.630 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 19 -ATOM 30049 H HB2 . PHE A 1 77 ? 6.537 -1.253 -5.789 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 19 -ATOM 30050 H HB3 . PHE A 1 77 ? 6.323 -2.018 -4.222 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 19 -ATOM 30051 H HD1 . PHE A 1 77 ? 5.031 -1.948 -7.686 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 19 -ATOM 30052 H HD2 . PHE A 1 77 ? 5.348 -4.143 -4.055 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 19 -ATOM 30053 H HE1 . PHE A 1 77 ? 4.120 -3.930 -8.809 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 19 -ATOM 30054 H HE2 . PHE A 1 77 ? 4.437 -6.133 -5.173 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 19 -ATOM 30055 H HZ . PHE A 1 77 ? 3.818 -6.026 -7.554 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 19 -ATOM 30056 N N . VAL A 1 78 ? 2.502 -1.050 -4.071 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 19 -ATOM 30057 C CA . VAL A 1 78 ? 1.433 -1.558 -3.240 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 19 -ATOM 30058 C C . VAL A 1 78 ? 1.360 -3.056 -3.404 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 19 -ATOM 30059 O O . VAL A 1 78 ? 1.186 -3.561 -4.517 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 19 -ATOM 30060 C CB . VAL A 1 78 ? 0.066 -0.912 -3.580 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 19 -ATOM 30061 C CG1 . VAL A 1 78 ? -1.040 -1.449 -2.669 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 19 -ATOM 30062 C CG2 . VAL A 1 78 ? 0.155 0.605 -3.481 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 19 -ATOM 30063 H H . VAL A 1 78 ? 2.280 -0.604 -4.920 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 19 -ATOM 30064 H HA . VAL A 1 78 ? 1.686 -1.342 -2.213 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 19 -ATOM 30065 H HB . VAL A 1 78 ? -0.187 -1.171 -4.597 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 19 -ATOM 30066 H HG11 . VAL A 1 78 ? -1.124 -2.518 -2.799 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 19 -ATOM 30067 H HG12 . VAL A 1 78 ? -1.981 -0.983 -2.921 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 19 -ATOM 30068 H HG13 . VAL A 1 78 ? -0.797 -1.234 -1.640 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 19 -ATOM 30069 H HG21 . VAL A 1 78 ? 0.457 0.890 -2.485 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 19 -ATOM 30070 H HG22 . VAL A 1 78 ? -0.811 1.038 -3.698 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 19 -ATOM 30071 H HG23 . VAL A 1 78 ? 0.880 0.969 -4.195 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 19 -ATOM 30072 N N . ILE A 1 79 ? 1.500 -3.747 -2.308 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 19 -ATOM 30073 C CA . ILE A 1 79 ? 1.579 -5.181 -2.314 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 19 -ATOM 30074 C C . ILE A 1 79 ? 0.200 -5.788 -2.058 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 19 -ATOM 30075 O O . ILE A 1 79 ? -0.189 -6.767 -2.691 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 19 -ATOM 30076 C CB . ILE A 1 79 ? 2.564 -5.670 -1.222 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 19 -ATOM 30077 C CG1 . ILE A 1 79 ? 3.903 -4.926 -1.334 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 19 -ATOM 30078 C CG2 . ILE A 1 79 ? 2.795 -7.162 -1.369 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 19 -ATOM 30079 C CD1 . ILE A 1 79 ? 4.878 -5.246 -0.221 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 19 -ATOM 30080 H H . ILE A 1 79 ? 1.531 -3.275 -1.447 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 19 -ATOM 30081 H HA . ILE A 1 79 ? 1.946 -5.504 -3.277 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 19 -ATOM 30082 H HB . ILE A 1 79 ? 2.133 -5.477 -0.250 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 19 -ATOM 30083 H HG12 . ILE A 1 79 ? 4.374 -5.191 -2.268 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 19 -ATOM 30084 H HG13 . ILE A 1 79 ? 3.717 -3.863 -1.320 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 19 -ATOM 30085 H HG21 . ILE A 1 79 ? 1.849 -7.677 -1.284 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 19 -ATOM 30086 H HG22 . ILE A 1 79 ? 3.467 -7.503 -0.595 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 19 -ATOM 30087 H HG23 . ILE A 1 79 ? 3.228 -7.365 -2.338 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 19 -ATOM 30088 H HD11 . ILE A 1 79 ? 5.801 -4.712 -0.389 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 19 -ATOM 30089 H HD12 . ILE A 1 79 ? 5.071 -6.308 -0.204 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 19 -ATOM 30090 H HD13 . ILE A 1 79 ? 4.456 -4.945 0.726 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 19 -ATOM 30091 N N . SER A 1 80 ? -0.538 -5.196 -1.140 1.00 0.00 ? ? ? ? ? ? 77 SER A N 19 -ATOM 30092 C CA . SER A 1 80 ? -1.841 -5.697 -0.791 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 19 -ATOM 30093 C C . SER A 1 80 ? -2.674 -4.557 -0.209 1.00 0.00 ? ? ? ? ? ? 77 SER A C 19 -ATOM 30094 O O . SER A 1 80 ? -2.122 -3.596 0.344 1.00 0.00 ? ? ? ? ? ? 77 SER A O 19 -ATOM 30095 C CB . SER A 1 80 ? -1.705 -6.862 0.214 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 19 -ATOM 30096 O OG . SER A 1 80 ? -2.953 -7.492 0.462 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 19 -ATOM 30097 H H . SER A 1 80 ? -0.226 -4.386 -0.679 1.00 0.00 ? ? ? ? ? ? 77 SER A H 19 -ATOM 30098 H HA . SER A 1 80 ? -2.315 -6.057 -1.691 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 19 -ATOM 30099 H HB2 . SER A 1 80 ? -1.021 -7.596 -0.183 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 19 -ATOM 30100 H HB3 . SER A 1 80 ? -1.313 -6.483 1.147 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 19 -ATOM 30101 H HG . SER A 1 80 ? -2.889 -8.422 0.227 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 19 -ATOM 30102 N N . VAL A 1 81 ? -3.971 -4.643 -0.361 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 19 -ATOM 30103 C CA . VAL A 1 81 ? -4.880 -3.637 0.120 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 19 -ATOM 30104 C C . VAL A 1 81 ? -6.205 -4.318 0.485 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 19 -ATOM 30105 O O . VAL A 1 81 ? -6.564 -5.336 -0.120 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 19 -ATOM 30106 C CB . VAL A 1 81 ? -5.090 -2.512 -0.958 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 19 -ATOM 30107 C CG1 . VAL A 1 81 ? -5.686 -3.053 -2.247 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 19 -ATOM 30108 C CG2 . VAL A 1 81 ? -5.929 -1.372 -0.420 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 19 -ATOM 30109 H H . VAL A 1 81 ? -4.368 -5.435 -0.782 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 19 -ATOM 30110 H HA . VAL A 1 81 ? -4.453 -3.202 1.012 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 19 -ATOM 30111 H HB . VAL A 1 81 ? -4.113 -2.122 -1.204 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 19 -ATOM 30112 H HG11 . VAL A 1 81 ? -5.025 -3.797 -2.666 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 19 -ATOM 30113 H HG12 . VAL A 1 81 ? -5.813 -2.247 -2.955 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 19 -ATOM 30114 H HG13 . VAL A 1 81 ? -6.646 -3.502 -2.040 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 19 -ATOM 30115 H HG21 . VAL A 1 81 ? -5.438 -0.943 0.441 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 19 -ATOM 30116 H HG22 . VAL A 1 81 ? -6.904 -1.743 -0.139 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 19 -ATOM 30117 H HG23 . VAL A 1 81 ? -6.034 -0.618 -1.187 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 19 -ATOM 30118 N N . GLY A 1 82 ? -6.884 -3.812 1.487 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 19 -ATOM 30119 C CA . GLY A 1 82 ? -8.159 -4.369 1.867 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 19 -ATOM 30120 C C . GLY A 1 82 ? -8.397 -4.227 3.342 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 19 -ATOM 30121 O O . GLY A 1 82 ? -7.892 -3.302 3.960 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 19 -ATOM 30122 H H . GLY A 1 82 ? -6.510 -3.062 2.006 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 19 -ATOM 30123 H HA2 . GLY A 1 82 ? -8.943 -3.859 1.328 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 19 -ATOM 30124 H HA3 . GLY A 1 82 ? -8.179 -5.415 1.610 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 19 -ATOM 30125 N N . LYS A 1 83 ? -9.150 -5.118 3.911 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 19 -ATOM 30126 C CA . LYS A 1 83 ? -9.395 -5.077 5.332 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 19 -ATOM 30127 C C . LYS A 1 83 ? -8.324 -5.886 6.012 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 19 -ATOM 30128 O O . LYS A 1 83 ? -7.962 -6.964 5.537 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 19 -ATOM 30129 C CB . LYS A 1 83 ? -10.773 -5.621 5.677 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 19 -ATOM 30130 C CG . LYS A 1 83 ? -11.907 -4.913 4.968 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 19 -ATOM 30131 C CD . LYS A 1 83 ? -13.241 -5.432 5.441 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 19 -ATOM 30132 C CE . LYS A 1 83 ? -14.382 -4.842 4.636 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 19 -ATOM 30133 N NZ . LYS A 1 83 ? -15.693 -5.349 5.073 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 19 -ATOM 30134 H H . LYS A 1 83 ? -9.525 -5.850 3.377 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 19 -ATOM 30135 H HA . LYS A 1 83 ? -9.316 -4.050 5.654 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 19 -ATOM 30136 H HB2 . LYS A 1 83 ? -10.809 -6.667 5.409 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 19 -ATOM 30137 H HB3 . LYS A 1 83 ? -10.928 -5.528 6.742 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 19 -ATOM 30138 H HG2 . LYS A 1 83 ? -11.846 -3.855 5.170 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 19 -ATOM 30139 H HG3 . LYS A 1 83 ? -11.818 -5.082 3.905 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 19 -ATOM 30140 H HD2 . LYS A 1 83 ? -13.256 -6.509 5.364 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 19 -ATOM 30141 H HD3 . LYS A 1 83 ? -13.344 -5.128 6.473 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 19 -ATOM 30142 H HE2 . LYS A 1 83 ? -14.365 -3.767 4.733 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 19 -ATOM 30143 H HE3 . LYS A 1 83 ? -14.234 -5.100 3.598 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 19 -ATOM 30144 H HZ1 . LYS A 1 83 ? -16.447 -4.906 4.512 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 19 -ATOM 30145 H HZ2 . LYS A 1 83 ? -15.884 -5.140 6.072 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 19 -ATOM 30146 H HZ3 . LYS A 1 83 ? -15.761 -6.377 4.926 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 19 -ATOM 30147 N N . ALA A 1 84 ? -7.811 -5.385 7.098 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 19 -ATOM 30148 C CA . ALA A 1 84 ? -6.719 -6.035 7.752 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 19 -ATOM 30149 C C . ALA A 1 84 ? -6.956 -6.191 9.227 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 19 -ATOM 30150 O O . ALA A 1 84 ? -6.879 -5.213 9.995 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 19 -ATOM 30151 C CB . ALA A 1 84 ? -5.433 -5.271 7.512 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 19 -ATOM 30152 H H . ALA A 1 84 ? -8.184 -4.567 7.488 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 19 -ATOM 30153 H HA . ALA A 1 84 ? -6.599 -7.013 7.311 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 19 -ATOM 30154 H HB1 . ALA A 1 84 ? -4.605 -5.812 7.947 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 19 -ATOM 30155 H HB2 . ALA A 1 84 ? -5.502 -4.297 7.973 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 19 -ATOM 30156 H HB3 . ALA A 1 84 ? -5.270 -5.159 6.451 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 19 -ATOM 30157 N N . GLU A 1 85 ? -7.277 -7.390 9.632 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 19 -ATOM 30158 C CA . GLU A 1 85 ? -7.371 -7.679 11.036 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 19 -ATOM 30159 C C . GLU A 1 85 ? -5.961 -7.905 11.548 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 19 -ATOM 30160 O O . GLU A 1 85 ? -5.594 -7.415 12.612 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 19 -ATOM 30161 C CB . GLU A 1 85 ? -8.275 -8.883 11.302 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 19 -ATOM 30162 C CG . GLU A 1 85 ? -9.692 -8.718 10.753 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 19 -ATOM 30163 C CD . GLU A 1 85 ? -10.421 -7.537 11.350 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 19 -ATOM 30164 O OE1 . GLU A 1 85 ? -10.288 -6.414 10.831 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 19 -ATOM 30165 O OE2 . GLU A 1 85 ? -11.137 -7.713 12.358 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 19 -ATOM 30166 H H . GLU A 1 85 ? -7.481 -8.091 8.976 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 19 -ATOM 30167 H HA . GLU A 1 85 ? -7.768 -6.802 11.525 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 19 -ATOM 30168 H HB2 . GLU A 1 85 ? -7.833 -9.762 10.857 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 19 -ATOM 30169 H HB3 . GLU A 1 85 ? -8.344 -9.034 12.369 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 19 -ATOM 30170 H HG2 . GLU A 1 85 ? -9.633 -8.575 9.685 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 19 -ATOM 30171 H HG3 . GLU A 1 85 ? -10.253 -9.617 10.963 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 19 -ATOM 30172 N N . ALA A 1 86 ? -5.163 -8.606 10.732 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 19 -ATOM 30173 C CA . ALA A 1 86 ? -3.745 -8.844 10.973 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 19 -ATOM 30174 C C . ALA A 1 86 ? -3.125 -9.642 9.823 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 19 -ATOM 30175 O O . ALA A 1 86 ? -2.515 -9.081 8.917 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 19 -ATOM 30176 C CB . ALA A 1 86 ? -3.490 -9.569 12.301 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 19 -ATOM 30177 H H . ALA A 1 86 ? -5.563 -8.991 9.923 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 19 -ATOM 30178 H HA . ALA A 1 86 ? -3.260 -7.879 11.009 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 19 -ATOM 30179 H HB1 . ALA A 1 86 ? -3.934 -10.552 12.272 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 19 -ATOM 30180 H HB2 . ALA A 1 86 ? -3.925 -9.002 13.111 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 19 -ATOM 30181 H HB3 . ALA A 1 86 ? -2.425 -9.659 12.457 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 19 -ATOM 30182 N N . SER A 1 87 ? -3.396 -10.929 9.819 1.00 0.00 ? ? ? ? ? ? 84 SER A N 19 -ATOM 30183 C CA . SER A 1 87 ? -2.740 -11.886 8.950 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 19 -ATOM 30184 C C . SER A 1 87 ? -3.036 -11.687 7.460 1.00 0.00 ? ? ? ? ? ? 84 SER A C 19 -ATOM 30185 O O . SER A 1 87 ? -2.158 -11.902 6.651 1.00 0.00 ? ? ? ? ? ? 84 SER A O 19 -ATOM 30186 C CB . SER A 1 87 ? -3.122 -13.315 9.380 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 19 -ATOM 30187 O OG . SER A 1 87 ? -2.358 -14.312 8.699 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 19 -ATOM 30188 H H . SER A 1 87 ? -4.086 -11.268 10.432 1.00 0.00 ? ? ? ? ? ? 84 SER A H 19 -ATOM 30189 H HA . SER A 1 87 ? -1.676 -11.784 9.099 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 19 -ATOM 30190 H HB2 . SER A 1 87 ? -2.971 -13.425 10.442 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 19 -ATOM 30191 H HB3 . SER A 1 87 ? -4.167 -13.473 9.158 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 19 -ATOM 30192 H HG . SER A 1 87 ? -1.803 -13.909 8.010 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 19 -ATOM 30193 N N . GLU A 1 88 ? -4.219 -11.197 7.121 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 19 -ATOM 30194 C CA . GLU A 1 88 ? -4.686 -11.171 5.717 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 19 -ATOM 30195 C C . GLU A 1 88 ? -3.724 -10.408 4.802 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 19 -ATOM 30196 O O . GLU A 1 88 ? -3.240 -10.947 3.804 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 19 -ATOM 30197 C CB . GLU A 1 88 ? -6.071 -10.516 5.644 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 19 -ATOM 30198 C CG . GLU A 1 88 ? -6.727 -10.576 4.273 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 19 -ATOM 30199 C CD . GLU A 1 88 ? -7.136 -11.976 3.898 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 19 -ATOM 30200 O OE1 . GLU A 1 88 ? -6.287 -12.779 3.448 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 19 -ATOM 30201 O OE2 . GLU A 1 88 ? -8.319 -12.319 4.078 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 19 -ATOM 30202 H H . GLU A 1 88 ? -4.805 -10.849 7.825 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 19 -ATOM 30203 H HA . GLU A 1 88 ? -4.772 -12.191 5.370 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 19 -ATOM 30204 H HB2 . GLU A 1 88 ? -6.722 -11.019 6.343 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 19 -ATOM 30205 H HB3 . GLU A 1 88 ? -5.982 -9.478 5.934 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 19 -ATOM 30206 H HG2 . GLU A 1 88 ? -7.606 -9.949 4.278 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 19 -ATOM 30207 H HG3 . GLU A 1 88 ? -6.026 -10.210 3.537 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 19 -ATOM 30208 N N . VAL A 1 89 ? -3.384 -9.205 5.184 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 19 -ATOM 30209 C CA . VAL A 1 89 ? -2.526 -8.392 4.351 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 19 -ATOM 30210 C C . VAL A 1 89 ? -1.066 -8.785 4.488 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 19 -ATOM 30211 O O . VAL A 1 89 ? -0.313 -8.706 3.530 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 19 -ATOM 30212 C CB . VAL A 1 89 ? -2.708 -6.869 4.595 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 19 -ATOM 30213 C CG1 . VAL A 1 89 ? -4.110 -6.427 4.192 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 19 -ATOM 30214 C CG2 . VAL A 1 89 ? -2.431 -6.505 6.050 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 19 -ATOM 30215 H H . VAL A 1 89 ? -3.723 -8.864 6.035 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 19 -ATOM 30216 H HA . VAL A 1 89 ? -2.813 -8.604 3.330 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 19 -ATOM 30217 H HB . VAL A 1 89 ? -2.000 -6.346 3.968 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 19 -ATOM 30218 H HG11 . VAL A 1 89 ? -4.214 -5.366 4.365 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 19 -ATOM 30219 H HG12 . VAL A 1 89 ? -4.839 -6.964 4.780 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 19 -ATOM 30220 H HG13 . VAL A 1 89 ? -4.270 -6.638 3.144 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 19 -ATOM 30221 H HG21 . VAL A 1 89 ? -3.118 -7.042 6.688 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 19 -ATOM 30222 H HG22 . VAL A 1 89 ? -2.567 -5.443 6.191 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 19 -ATOM 30223 H HG23 . VAL A 1 89 ? -1.417 -6.777 6.304 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 19 -ATOM 30224 N N . TYR A 1 90 ? -0.681 -9.261 5.662 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 19 -ATOM 30225 C CA . TYR A 1 90 ? 0.714 -9.606 5.907 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 19 -ATOM 30226 C C . TYR A 1 90 ? 1.089 -10.899 5.207 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 19 -ATOM 30227 O O . TYR A 1 90 ? 2.132 -10.974 4.549 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 19 -ATOM 30228 C CB . TYR A 1 90 ? 1.035 -9.714 7.402 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 19 -ATOM 30229 C CG . TYR A 1 90 ? 0.807 -8.453 8.226 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 19 -ATOM 30230 C CD1 . TYR A 1 90 ? 0.924 -7.185 7.670 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 19 -ATOM 30231 C CD2 . TYR A 1 90 ? 0.499 -8.542 9.578 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 19 -ATOM 30232 C CE1 . TYR A 1 90 ? 0.736 -6.051 8.436 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 19 -ATOM 30233 C CE2 . TYR A 1 90 ? 0.307 -7.410 10.347 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 19 -ATOM 30234 C CZ . TYR A 1 90 ? 0.427 -6.169 9.770 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 19 -ATOM 30235 O OH . TYR A 1 90 ? 0.248 -5.031 10.541 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 19 -ATOM 30236 H H . TYR A 1 90 ? -1.351 -9.389 6.365 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 19 -ATOM 30237 H HA . TYR A 1 90 ? 1.318 -8.818 5.479 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 19 -ATOM 30238 H HB2 . TYR A 1 90 ? 0.434 -10.503 7.820 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 19 -ATOM 30239 H HB3 . TYR A 1 90 ? 2.071 -9.995 7.501 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 19 -ATOM 30240 H HD1 . TYR A 1 90 ? 1.162 -7.087 6.621 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 19 -ATOM 30241 H HD2 . TYR A 1 90 ? 0.407 -9.519 10.029 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 19 -ATOM 30242 H HE1 . TYR A 1 90 ? 0.831 -5.075 7.982 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 19 -ATOM 30243 H HE2 . TYR A 1 90 ? 0.063 -7.503 11.395 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 19 -ATOM 30244 H HH . TYR A 1 90 ? 0.738 -5.187 11.359 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 19 -ATOM 30245 N N . SER A 1 91 ? 0.226 -11.900 5.323 1.00 0.00 ? ? ? ? ? ? 88 SER A N 19 -ATOM 30246 C CA . SER A 1 91 ? 0.458 -13.188 4.716 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 19 -ATOM 30247 C C . SER A 1 91 ? 0.468 -13.067 3.202 1.00 0.00 ? ? ? ? ? ? 88 SER A C 19 -ATOM 30248 O O . SER A 1 91 ? 1.309 -13.667 2.538 1.00 0.00 ? ? ? ? ? ? 88 SER A O 19 -ATOM 30249 C CB . SER A 1 91 ? -0.591 -14.191 5.186 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 19 -ATOM 30250 O OG . SER A 1 91 ? -0.594 -14.267 6.609 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 19 -ATOM 30251 H H . SER A 1 91 ? -0.608 -11.782 5.832 1.00 0.00 ? ? ? ? ? ? 88 SER A H 19 -ATOM 30252 H HA . SER A 1 91 ? 1.431 -13.527 5.039 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 19 -ATOM 30253 H HB2 . SER A 1 91 ? -1.568 -13.877 4.848 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 19 -ATOM 30254 H HB3 . SER A 1 91 ? -0.361 -15.167 4.786 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 19 -ATOM 30255 H HG . SER A 1 91 ? 0.228 -13.850 6.895 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 19 -ATOM 30256 N N . GLU A 1 92 ? -0.433 -12.255 2.662 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 19 -ATOM 30257 C CA . GLU A 1 92 ? -0.455 -12.032 1.240 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 19 -ATOM 30258 C C . GLU A 1 92 ? 0.828 -11.322 0.822 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 19 -ATOM 30259 O O . GLU A 1 92 ? 1.501 -11.757 -0.096 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 19 -ATOM 30260 C CB . GLU A 1 92 ? -1.677 -11.204 0.826 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 19 -ATOM 30261 C CG . GLU A 1 92 ? -1.810 -11.024 -0.683 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 19 -ATOM 30262 C CD . GLU A 1 92 ? -2.023 -12.338 -1.409 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 19 -ATOM 30263 O OE1 . GLU A 1 92 ? -1.049 -13.077 -1.669 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 19 -ATOM 30264 O OE2 . GLU A 1 92 ? -3.180 -12.670 -1.722 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 19 -ATOM 30265 H H . GLU A 1 92 ? -1.100 -11.813 3.230 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 19 -ATOM 30266 H HA . GLU A 1 92 ? -0.495 -12.996 0.754 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 19 -ATOM 30267 H HB2 . GLU A 1 92 ? -2.569 -11.693 1.187 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 19 -ATOM 30268 H HB3 . GLU A 1 92 ? -1.601 -10.228 1.280 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 19 -ATOM 30269 H HG2 . GLU A 1 92 ? -2.652 -10.380 -0.885 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 19 -ATOM 30270 H HG3 . GLU A 1 92 ? -0.907 -10.563 -1.057 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 19 -ATOM 30271 N N . ALA A 1 93 ? 1.187 -10.267 1.562 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 19 -ATOM 30272 C CA . ALA A 1 93 ? 2.366 -9.455 1.266 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 19 -ATOM 30273 C C . ALA A 1 93 ? 3.636 -10.286 1.190 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 19 -ATOM 30274 O O . ALA A 1 93 ? 4.381 -10.197 0.211 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 19 -ATOM 30275 C CB . ALA A 1 93 ? 2.527 -8.330 2.276 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 19 -ATOM 30276 H H . ALA A 1 93 ? 0.632 -10.023 2.336 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 19 -ATOM 30277 H HA . ALA A 1 93 ? 2.199 -9.010 0.297 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 19 -ATOM 30278 H HB1 . ALA A 1 93 ? 2.734 -8.750 3.250 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 19 -ATOM 30279 H HB2 . ALA A 1 93 ? 1.615 -7.753 2.321 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 19 -ATOM 30280 H HB3 . ALA A 1 93 ? 3.345 -7.692 1.978 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 19 -ATOM 30281 N N . VAL A 1 94 ? 3.864 -11.119 2.195 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 19 -ATOM 30282 C CA . VAL A 1 94 ? 5.054 -11.951 2.222 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 19 -ATOM 30283 C C . VAL A 1 94 ? 5.010 -13.012 1.099 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 19 -ATOM 30284 O O . VAL A 1 94 ? 6.044 -13.396 0.553 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 19 -ATOM 30285 C CB . VAL A 1 94 ? 5.305 -12.589 3.635 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 19 -ATOM 30286 C CG1 . VAL A 1 94 ? 4.190 -13.528 4.056 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 19 -ATOM 30287 C CG2 . VAL A 1 94 ? 6.654 -13.286 3.705 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 19 -ATOM 30288 H H . VAL A 1 94 ? 3.216 -11.165 2.933 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 19 -ATOM 30289 H HA . VAL A 1 94 ? 5.878 -11.290 1.988 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 19 -ATOM 30290 H HB . VAL A 1 94 ? 5.313 -11.777 4.348 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 19 -ATOM 30291 H HG11 . VAL A 1 94 ? 3.255 -12.986 4.077 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 19 -ATOM 30292 H HG12 . VAL A 1 94 ? 4.399 -13.922 5.039 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 19 -ATOM 30293 H HG13 . VAL A 1 94 ? 4.117 -14.342 3.349 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 19 -ATOM 30294 H HG21 . VAL A 1 94 ? 6.682 -14.083 2.978 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 19 -ATOM 30295 H HG22 . VAL A 1 94 ? 6.802 -13.692 4.693 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 19 -ATOM 30296 H HG23 . VAL A 1 94 ? 7.436 -12.574 3.487 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 19 -ATOM 30297 N N . LYS A 1 95 ? 3.810 -13.449 0.739 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 19 -ATOM 30298 C CA . LYS A 1 95 ? 3.620 -14.397 -0.358 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 19 -ATOM 30299 C C . LYS A 1 95 ? 3.717 -13.747 -1.750 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 19 -ATOM 30300 O O . LYS A 1 95 ? 3.740 -14.455 -2.754 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 19 -ATOM 30301 C CB . LYS A 1 95 ? 2.311 -15.206 -0.226 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 19 -ATOM 30302 C CG . LYS A 1 95 ? 2.409 -16.530 0.557 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 19 -ATOM 30303 C CD . LYS A 1 95 ? 2.909 -16.362 1.984 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 19 -ATOM 30304 C CE . LYS A 1 95 ? 2.886 -17.684 2.743 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 19 -ATOM 30305 N NZ . LYS A 1 95 ? 3.739 -18.718 2.112 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 19 -ATOM 30306 H H . LYS A 1 95 ? 3.015 -13.128 1.221 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 19 -ATOM 30307 H HA . LYS A 1 95 ? 4.445 -15.086 -0.282 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 19 -ATOM 30308 H HB2 . LYS A 1 95 ? 1.573 -14.587 0.263 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 19 -ATOM 30309 H HB3 . LYS A 1 95 ? 1.960 -15.433 -1.220 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 19 -ATOM 30310 H HG2 . LYS A 1 95 ? 1.429 -16.980 0.594 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 19 -ATOM 30311 H HG3 . LYS A 1 95 ? 3.078 -17.187 0.022 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 19 -ATOM 30312 H HD2 . LYS A 1 95 ? 3.925 -15.994 1.953 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 19 -ATOM 30313 H HD3 . LYS A 1 95 ? 2.279 -15.649 2.495 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 19 -ATOM 30314 H HE2 . LYS A 1 95 ? 3.243 -17.513 3.748 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 19 -ATOM 30315 H HE3 . LYS A 1 95 ? 1.870 -18.046 2.784 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 19 -ATOM 30316 H HZ1 . LYS A 1 95 ? 3.443 -18.905 1.132 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 19 -ATOM 30317 H HZ2 . LYS A 1 95 ? 3.655 -19.621 2.619 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 19 -ATOM 30318 H HZ3 . LYS A 1 95 ? 4.745 -18.449 2.103 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 19 -ATOM 30319 N N . ARG A 1 96 ? 3.725 -12.418 -1.821 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 19 -ATOM 30320 C CA . ARG A 1 96 ? 3.800 -11.727 -3.122 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 19 -ATOM 30321 C C . ARG A 1 96 ? 5.239 -11.521 -3.560 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 19 -ATOM 30322 O O . ARG A 1 96 ? 5.502 -11.205 -4.725 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 19 -ATOM 30323 C CB . ARG A 1 96 ? 3.113 -10.340 -3.098 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 19 -ATOM 30324 C CG . ARG A 1 96 ? 1.630 -10.323 -2.751 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 19 -ATOM 30325 C CD . ARG A 1 96 ? 0.822 -11.214 -3.660 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 19 -ATOM 30326 N NE . ARG A 1 96 ? 0.908 -10.826 -5.062 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 19 -ATOM 30327 C CZ . ARG A 1 96 ? 1.059 -11.665 -6.084 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 19 -ATOM 30328 N NH1 . ARG A 1 96 ? 1.019 -12.985 -5.888 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 19 -ATOM 30329 N NH2 . ARG A 1 96 ? 1.232 -11.176 -7.294 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 19 -ATOM 30330 H H . ARG A 1 96 ? 3.668 -11.891 -0.994 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 19 -ATOM 30331 H HA . ARG A 1 96 ? 3.304 -12.342 -3.856 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 19 -ATOM 30332 H HB2 . ARG A 1 96 ? 3.622 -9.726 -2.370 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 19 -ATOM 30333 H HB3 . ARG A 1 96 ? 3.239 -9.886 -4.070 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 19 -ATOM 30334 H HG2 . ARG A 1 96 ? 1.504 -10.663 -1.734 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 19 -ATOM 30335 H HG3 . ARG A 1 96 ? 1.265 -9.310 -2.836 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 19 -ATOM 30336 H HD2 . ARG A 1 96 ? 1.209 -12.215 -3.560 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 19 -ATOM 30337 H HD3 . ARG A 1 96 ? -0.208 -11.182 -3.337 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 19 -ATOM 30338 H HE . ARG A 1 96 ? 0.862 -9.856 -5.255 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 19 -ATOM 30339 H HH11 . ARG A 1 96 ? 0.874 -13.391 -4.981 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 19 -ATOM 30340 H HH12 . ARG A 1 96 ? 1.127 -13.635 -6.646 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 19 -ATOM 30341 H HH21 . ARG A 1 96 ? 1.252 -10.169 -7.405 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 19 -ATOM 30342 H HH22 . ARG A 1 96 ? 1.353 -11.737 -8.117 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 19 -ATOM 30343 N N . ILE A 1 97 ? 6.166 -11.664 -2.635 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 19 -ATOM 30344 C CA . ILE A 1 97 ? 7.556 -11.376 -2.926 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 19 -ATOM 30345 C C . ILE A 1 97 ? 8.443 -12.546 -2.524 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 19 -ATOM 30346 O O . ILE A 1 97 ? 8.764 -12.718 -1.337 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 19 -ATOM 30347 C CB . ILE A 1 97 ? 8.035 -10.098 -2.183 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 19 -ATOM 30348 C CG1 . ILE A 1 97 ? 7.085 -8.929 -2.471 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 19 -ATOM 30349 C CG2 . ILE A 1 97 ? 9.463 -9.734 -2.616 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 19 -ATOM 30350 C CD1 . ILE A 1 97 ? 7.355 -7.709 -1.638 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 19 -ATOM 30351 H H . ILE A 1 97 ? 5.918 -11.983 -1.743 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 19 -ATOM 30352 H HA . ILE A 1 97 ? 7.646 -11.206 -3.988 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 19 -ATOM 30353 H HB . ILE A 1 97 ? 8.038 -10.298 -1.121 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 19 -ATOM 30354 H HG12 . ILE A 1 97 ? 7.182 -8.643 -3.509 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 19 -ATOM 30355 H HG13 . ILE A 1 97 ? 6.069 -9.244 -2.286 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 19 -ATOM 30356 H HG21 . ILE A 1 97 ? 9.477 -9.541 -3.678 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 19 -ATOM 30357 H HG22 . ILE A 1 97 ? 10.130 -10.553 -2.391 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 19 -ATOM 30358 H HG23 . ILE A 1 97 ? 9.785 -8.850 -2.084 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 19 -ATOM 30359 H HD11 . ILE A 1 97 ? 7.248 -7.960 -0.594 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 19 -ATOM 30360 H HD12 . ILE A 1 97 ? 6.656 -6.929 -1.900 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 19 -ATOM 30361 H HD13 . ILE A 1 97 ? 8.363 -7.368 -1.824 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 19 -ATOM 30362 N N . LEU A 1 98 ? 8.804 -13.341 -3.493 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 19 -ATOM 30363 C CA . LEU A 1 98 ? 9.673 -14.472 -3.315 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 19 -ATOM 30364 C C . LEU A 1 98 ? 9.973 -15.035 -4.679 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 19 -ATOM 30365 O O . LEU A 1 98 ? 11.129 -14.938 -5.128 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 19 -ATOM 30366 C CB . LEU A 1 98 ? 9.050 -15.554 -2.426 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 19 -ATOM 30367 C CG . LEU A 1 98 ? 9.971 -16.723 -2.052 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 19 -ATOM 30368 C CD1 . LEU A 1 98 ? 11.151 -16.239 -1.220 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 19 -ATOM 30369 C CD2 . LEU A 1 98 ? 9.201 -17.796 -1.309 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 19 -ATOM 30370 O OXT . LEU A 1 98 ? 9.020 -15.509 -5.351 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 19 -ATOM 30371 H H . LEU A 1 98 ? 8.496 -13.170 -4.412 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 19 -ATOM 30372 H HA . LEU A 1 98 ? 10.591 -14.116 -2.872 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 19 -ATOM 30373 H HB2 . LEU A 1 98 ? 8.698 -15.080 -1.521 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 19 -ATOM 30374 H HB3 . LEU A 1 98 ? 8.196 -15.954 -2.952 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 19 -ATOM 30375 H HG . LEU A 1 98 ? 10.367 -17.155 -2.960 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 19 -ATOM 30376 H HD11 . LEU A 1 98 ? 10.787 -15.750 -0.329 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 19 -ATOM 30377 H HD12 . LEU A 1 98 ? 11.749 -15.547 -1.794 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 19 -ATOM 30378 H HD13 . LEU A 1 98 ? 11.759 -17.086 -0.937 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 19 -ATOM 30379 H HD21 . LEU A 1 98 ? 8.810 -17.385 -0.390 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 19 -ATOM 30380 H HD22 . LEU A 1 98 ? 9.868 -18.616 -1.086 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 19 -ATOM 30381 H HD23 . LEU A 1 98 ? 8.387 -18.150 -1.923 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 19 -ATOM 30382 N N . MET A 1 4 ? 10.970 15.873 -3.030 1.00 0.00 ? ? ? ? ? ? 1 MET A N 20 -ATOM 30383 C CA . MET A 1 4 ? 10.995 14.737 -3.949 1.00 0.00 ? ? ? ? ? ? 1 MET A CA 20 -ATOM 30384 C C . MET A 1 4 ? 9.745 13.906 -3.722 1.00 0.00 ? ? ? ? ? ? 1 MET A C 20 -ATOM 30385 O O . MET A 1 4 ? 9.167 13.941 -2.628 1.00 0.00 ? ? ? ? ? ? 1 MET A O 20 -ATOM 30386 C CB . MET A 1 4 ? 12.263 13.902 -3.689 1.00 0.00 ? ? ? ? ? ? 1 MET A CB 20 -ATOM 30387 C CG . MET A 1 4 ? 12.493 12.740 -4.639 1.00 0.00 ? ? ? ? ? ? 1 MET A CG 20 -ATOM 30388 S SD . MET A 1 4 ? 14.013 11.850 -4.259 1.00 0.00 ? ? ? ? ? ? 1 MET A SD 20 -ATOM 30389 C CE . MET A 1 4 ? 13.996 10.589 -5.531 1.00 0.00 ? ? ? ? ? ? 1 MET A CE 20 -ATOM 30390 H H . MET A 1 4 ? 10.121 16.444 -3.199 1.00 0.00 ? ? ? ? ? ? 1 MET A H 20 -ATOM 30391 H HA . MET A 1 4 ? 11.000 15.106 -4.964 1.00 0.00 ? ? ? ? ? ? 1 MET A HA 20 -ATOM 30392 H HB2 . MET A 1 4 ? 13.124 14.552 -3.756 1.00 0.00 ? ? ? ? ? ? 1 MET A HB2 20 -ATOM 30393 H HB3 . MET A 1 4 ? 12.210 13.510 -2.684 1.00 0.00 ? ? ? ? ? ? 1 MET A HB3 20 -ATOM 30394 H HG2 . MET A 1 4 ? 11.660 12.056 -4.570 1.00 0.00 ? ? ? ? ? ? 1 MET A HG2 20 -ATOM 30395 H HG3 . MET A 1 4 ? 12.564 13.122 -5.647 1.00 0.00 ? ? ? ? ? ? 1 MET A HG3 20 -ATOM 30396 H HE1 . MET A 1 4 ? 13.116 9.974 -5.415 1.00 0.00 ? ? ? ? ? ? 1 MET A HE1 20 -ATOM 30397 H HE2 . MET A 1 4 ? 14.878 9.971 -5.449 1.00 0.00 ? ? ? ? ? ? 1 MET A HE2 20 -ATOM 30398 H HE3 . MET A 1 4 ? 13.976 11.057 -6.503 1.00 0.00 ? ? ? ? ? ? 1 MET A HE3 20 -ATOM 30399 N N . ALA A 1 5 ? 9.300 13.216 -4.740 1.00 0.00 ? ? ? ? ? ? 2 ALA A N 20 -ATOM 30400 C CA . ALA A 1 5 ? 8.156 12.356 -4.647 1.00 0.00 ? ? ? ? ? ? 2 ALA A CA 20 -ATOM 30401 C C . ALA A 1 5 ? 8.512 10.989 -5.200 1.00 0.00 ? ? ? ? ? ? 2 ALA A C 20 -ATOM 30402 O O . ALA A 1 5 ? 9.537 10.829 -5.884 1.00 0.00 ? ? ? ? ? ? 2 ALA A O 20 -ATOM 30403 C CB . ALA A 1 5 ? 6.979 12.956 -5.409 1.00 0.00 ? ? ? ? ? ? 2 ALA A CB 20 -ATOM 30404 H H . ALA A 1 5 ? 9.755 13.266 -5.611 1.00 0.00 ? ? ? ? ? ? 2 ALA A H 20 -ATOM 30405 H HA . ALA A 1 5 ? 7.885 12.261 -3.606 1.00 0.00 ? ? ? ? ? ? 2 ALA A HA 20 -ATOM 30406 H HB1 . ALA A 1 5 ? 6.119 12.309 -5.314 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB1 20 -ATOM 30407 H HB2 . ALA A 1 5 ? 7.239 13.055 -6.452 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB2 20 -ATOM 30408 H HB3 . ALA A 1 5 ? 6.746 13.930 -5.005 1.00 0.00 ? ? ? ? ? ? 2 ALA A HB3 20 -ATOM 30409 N N . TYR A 1 6 ? 7.702 10.019 -4.898 1.00 0.00 ? ? ? ? ? ? 3 TYR A N 20 -ATOM 30410 C CA . TYR A 1 6 ? 7.898 8.668 -5.370 1.00 0.00 ? ? ? ? ? ? 3 TYR A CA 20 -ATOM 30411 C C . TYR A 1 6 ? 6.745 8.290 -6.273 1.00 0.00 ? ? ? ? ? ? 3 TYR A C 20 -ATOM 30412 O O . TYR A 1 6 ? 5.720 8.969 -6.285 1.00 0.00 ? ? ? ? ? ? 3 TYR A O 20 -ATOM 30413 C CB . TYR A 1 6 ? 7.994 7.676 -4.191 1.00 0.00 ? ? ? ? ? ? 3 TYR A CB 20 -ATOM 30414 C CG . TYR A 1 6 ? 9.242 7.804 -3.328 1.00 0.00 ? ? ? ? ? ? 3 TYR A CG 20 -ATOM 30415 C CD1 . TYR A 1 6 ? 9.425 8.877 -2.464 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD1 20 -ATOM 30416 C CD2 . TYR A 1 6 ? 10.235 6.836 -3.380 1.00 0.00 ? ? ? ? ? ? 3 TYR A CD2 20 -ATOM 30417 C CE1 . TYR A 1 6 ? 10.559 8.982 -1.682 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE1 20 -ATOM 30418 C CE2 . TYR A 1 6 ? 11.371 6.933 -2.599 1.00 0.00 ? ? ? ? ? ? 3 TYR A CE2 20 -ATOM 30419 C CZ . TYR A 1 6 ? 11.527 8.007 -1.753 1.00 0.00 ? ? ? ? ? ? 3 TYR A CZ 20 -ATOM 30420 O OH . TYR A 1 6 ? 12.654 8.102 -0.972 1.00 0.00 ? ? ? ? ? ? 3 TYR A OH 20 -ATOM 30421 H H . TYR A 1 6 ? 6.915 10.208 -4.345 1.00 0.00 ? ? ? ? ? ? 3 TYR A H 20 -ATOM 30422 H HA . TYR A 1 6 ? 8.817 8.638 -5.935 1.00 0.00 ? ? ? ? ? ? 3 TYR A HA 20 -ATOM 30423 H HB2 . TYR A 1 6 ? 7.140 7.813 -3.545 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB2 20 -ATOM 30424 H HB3 . TYR A 1 6 ? 7.964 6.673 -4.588 1.00 0.00 ? ? ? ? ? ? 3 TYR A HB3 20 -ATOM 30425 H HD1 . TYR A 1 6 ? 8.664 9.642 -2.411 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD1 20 -ATOM 30426 H HD2 . TYR A 1 6 ? 10.113 5.993 -4.044 1.00 0.00 ? ? ? ? ? ? 3 TYR A HD2 20 -ATOM 30427 H HE1 . TYR A 1 6 ? 10.682 9.825 -1.017 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE1 20 -ATOM 30428 H HE2 . TYR A 1 6 ? 12.132 6.168 -2.656 1.00 0.00 ? ? ? ? ? ? 3 TYR A HE2 20 -ATOM 30429 H HH . TYR A 1 6 ? 13.388 8.043 -1.597 1.00 0.00 ? ? ? ? ? ? 3 TYR A HH 20 -ATOM 30430 N N . PHE A 1 7 ? 6.918 7.242 -7.036 1.00 0.00 ? ? ? ? ? ? 4 PHE A N 20 -ATOM 30431 C CA . PHE A 1 7 ? 5.864 6.746 -7.901 1.00 0.00 ? ? ? ? ? ? 4 PHE A CA 20 -ATOM 30432 C C . PHE A 1 7 ? 4.994 5.778 -7.108 1.00 0.00 ? ? ? ? ? ? 4 PHE A C 20 -ATOM 30433 O O . PHE A 1 7 ? 5.408 5.314 -6.057 1.00 0.00 ? ? ? ? ? ? 4 PHE A O 20 -ATOM 30434 C CB . PHE A 1 7 ? 6.463 6.055 -9.135 1.00 0.00 ? ? ? ? ? ? 4 PHE A CB 20 -ATOM 30435 C CG . PHE A 1 7 ? 7.254 6.974 -10.028 1.00 0.00 ? ? ? ? ? ? 4 PHE A CG 20 -ATOM 30436 C CD1 . PHE A 1 7 ? 6.632 7.680 -11.043 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD1 20 -ATOM 30437 C CD2 . PHE A 1 7 ? 8.619 7.132 -9.852 1.00 0.00 ? ? ? ? ? ? 4 PHE A CD2 20 -ATOM 30438 C CE1 . PHE A 1 7 ? 7.355 8.527 -11.863 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE1 20 -ATOM 30439 C CE2 . PHE A 1 7 ? 9.346 7.977 -10.665 1.00 0.00 ? ? ? ? ? ? 4 PHE A CE2 20 -ATOM 30440 C CZ . PHE A 1 7 ? 8.715 8.674 -11.674 1.00 0.00 ? ? ? ? ? ? 4 PHE A CZ 20 -ATOM 30441 H H . PHE A 1 7 ? 7.780 6.769 -7.010 1.00 0.00 ? ? ? ? ? ? 4 PHE A H 20 -ATOM 30442 H HA . PHE A 1 7 ? 5.262 7.587 -8.213 1.00 0.00 ? ? ? ? ? ? 4 PHE A HA 20 -ATOM 30443 H HB2 . PHE A 1 7 ? 7.131 5.276 -8.799 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB2 20 -ATOM 30444 H HB3 . PHE A 1 7 ? 5.671 5.611 -9.718 1.00 0.00 ? ? ? ? ? ? 4 PHE A HB3 20 -ATOM 30445 H HD1 . PHE A 1 7 ? 5.569 7.564 -11.193 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD1 20 -ATOM 30446 H HD2 . PHE A 1 7 ? 9.117 6.586 -9.063 1.00 0.00 ? ? ? ? ? ? 4 PHE A HD2 20 -ATOM 30447 H HE1 . PHE A 1 7 ? 6.858 9.072 -12.651 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE1 20 -ATOM 30448 H HE2 . PHE A 1 7 ? 10.410 8.090 -10.514 1.00 0.00 ? ? ? ? ? ? 4 PHE A HE2 20 -ATOM 30449 H HZ . PHE A 1 7 ? 9.283 9.334 -12.312 1.00 0.00 ? ? ? ? ? ? 4 PHE A HZ 20 -ATOM 30450 N N . LEU A 1 8 ? 3.803 5.504 -7.571 1.00 0.00 ? ? ? ? ? ? 5 LEU A N 20 -ATOM 30451 C CA . LEU A 1 8 ? 2.907 4.600 -6.865 1.00 0.00 ? ? ? ? ? ? 5 LEU A CA 20 -ATOM 30452 C C . LEU A 1 8 ? 2.439 3.516 -7.834 1.00 0.00 ? ? ? ? ? ? 5 LEU A C 20 -ATOM 30453 O O . LEU A 1 8 ? 1.859 3.836 -8.881 1.00 0.00 ? ? ? ? ? ? 5 LEU A O 20 -ATOM 30454 C CB . LEU A 1 8 ? 1.701 5.407 -6.290 1.00 0.00 ? ? ? ? ? ? 5 LEU A CB 20 -ATOM 30455 C CG . LEU A 1 8 ? 0.803 4.745 -5.198 1.00 0.00 ? ? ? ? ? ? 5 LEU A CG 20 -ATOM 30456 C CD1 . LEU A 1 8 ? 0.055 3.521 -5.693 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD1 20 -ATOM 30457 C CD2 . LEU A 1 8 ? 1.612 4.398 -3.967 1.00 0.00 ? ? ? ? ? ? 5 LEU A CD2 20 -ATOM 30458 H H . LEU A 1 8 ? 3.512 5.884 -8.427 1.00 0.00 ? ? ? ? ? ? 5 LEU A H 20 -ATOM 30459 H HA . LEU A 1 8 ? 3.456 4.146 -6.053 1.00 0.00 ? ? ? ? ? ? 5 LEU A HA 20 -ATOM 30460 H HB2 . LEU A 1 8 ? 2.090 6.324 -5.875 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB2 20 -ATOM 30461 H HB3 . LEU A 1 8 ? 1.067 5.671 -7.125 1.00 0.00 ? ? ? ? ? ? 5 LEU A HB3 20 -ATOM 30462 H HG . LEU A 1 8 ? 0.056 5.466 -4.900 1.00 0.00 ? ? ? ? ? ? 5 LEU A HG 20 -ATOM 30463 H HD11 . LEU A 1 8 ? -0.493 3.080 -4.873 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD11 20 -ATOM 30464 H HD12 . LEU A 1 8 ? 0.761 2.800 -6.078 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD12 20 -ATOM 30465 H HD13 . LEU A 1 8 ? -0.633 3.810 -6.474 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD13 20 -ATOM 30466 H HD21 . LEU A 1 8 ? 2.044 5.294 -3.546 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD21 20 -ATOM 30467 H HD22 . LEU A 1 8 ? 2.396 3.706 -4.237 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD22 20 -ATOM 30468 H HD23 . LEU A 1 8 ? 0.968 3.930 -3.238 1.00 0.00 ? ? ? ? ? ? 5 LEU A HD23 20 -ATOM 30469 N N . ASP A 1 9 ? 2.665 2.260 -7.502 1.00 0.00 ? ? ? ? ? ? 6 ASP A N 20 -ATOM 30470 C CA . ASP A 1 9 ? 2.223 1.158 -8.354 1.00 0.00 ? ? ? ? ? ? 6 ASP A CA 20 -ATOM 30471 C C . ASP A 1 9 ? 1.549 0.098 -7.476 1.00 0.00 ? ? ? ? ? ? 6 ASP A C 20 -ATOM 30472 O O . ASP A 1 9 ? 1.649 0.154 -6.246 1.00 0.00 ? ? ? ? ? ? 6 ASP A O 20 -ATOM 30473 C CB . ASP A 1 9 ? 3.404 0.548 -9.139 1.00 0.00 ? ? ? ? ? ? 6 ASP A CB 20 -ATOM 30474 C CG . ASP A 1 9 ? 2.972 -0.193 -10.405 1.00 0.00 ? ? ? ? ? ? 6 ASP A CG 20 -ATOM 30475 O OD1 . ASP A 1 9 ? 2.362 -1.263 -10.324 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD1 20 -ATOM 30476 O OD2 . ASP A 1 9 ? 3.245 0.310 -11.520 1.00 0.00 ? ? ? ? ? ? 6 ASP A OD2 20 -ATOM 30477 H H . ASP A 1 9 ? 3.120 2.047 -6.653 1.00 0.00 ? ? ? ? ? ? 6 ASP A H 20 -ATOM 30478 H HA . ASP A 1 9 ? 1.488 1.551 -9.041 1.00 0.00 ? ? ? ? ? ? 6 ASP A HA 20 -ATOM 30479 H HB2 . ASP A 1 9 ? 4.081 1.338 -9.428 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB2 20 -ATOM 30480 H HB3 . ASP A 1 9 ? 3.927 -0.147 -8.498 1.00 0.00 ? ? ? ? ? ? 6 ASP A HB3 20 -ATOM 30481 N N . PHE A 1 10 ? 0.899 -0.858 -8.088 1.00 0.00 ? ? ? ? ? ? 7 PHE A N 20 -ATOM 30482 C CA . PHE A 1 10 ? 0.138 -1.871 -7.381 1.00 0.00 ? ? ? ? ? ? 7 PHE A CA 20 -ATOM 30483 C C . PHE A 1 10 ? 0.500 -3.233 -7.920 1.00 0.00 ? ? ? ? ? ? 7 PHE A C 20 -ATOM 30484 O O . PHE A 1 10 ? 0.618 -3.400 -9.134 1.00 0.00 ? ? ? ? ? ? 7 PHE A O 20 -ATOM 30485 C CB . PHE A 1 10 ? -1.386 -1.691 -7.607 1.00 0.00 ? ? ? ? ? ? 7 PHE A CB 20 -ATOM 30486 C CG . PHE A 1 10 ? -1.985 -0.374 -7.187 1.00 0.00 ? ? ? ? ? ? 7 PHE A CG 20 -ATOM 30487 C CD1 . PHE A 1 10 ? -2.065 0.685 -8.081 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD1 20 -ATOM 30488 C CD2 . PHE A 1 10 ? -2.491 -0.205 -5.912 1.00 0.00 ? ? ? ? ? ? 7 PHE A CD2 20 -ATOM 30489 C CE1 . PHE A 1 10 ? -2.633 1.884 -7.706 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE1 20 -ATOM 30490 C CE2 . PHE A 1 10 ? -3.064 0.992 -5.532 1.00 0.00 ? ? ? ? ? ? 7 PHE A CE2 20 -ATOM 30491 C CZ . PHE A 1 10 ? -3.134 2.039 -6.430 1.00 0.00 ? ? ? ? ? ? 7 PHE A CZ 20 -ATOM 30492 H H . PHE A 1 10 ? 0.997 -0.939 -9.064 1.00 0.00 ? ? ? ? ? ? 7 PHE A H 20 -ATOM 30493 H HA . PHE A 1 10 ? 0.345 -1.812 -6.324 1.00 0.00 ? ? ? ? ? ? 7 PHE A HA 20 -ATOM 30494 H HB2 . PHE A 1 10 ? -1.602 -1.814 -8.658 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB2 20 -ATOM 30495 H HB3 . PHE A 1 10 ? -1.900 -2.474 -7.069 1.00 0.00 ? ? ? ? ? ? 7 PHE A HB3 20 -ATOM 30496 H HD1 . PHE A 1 10 ? -1.673 0.563 -9.080 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD1 20 -ATOM 30497 H HD2 . PHE A 1 10 ? -2.436 -1.021 -5.207 1.00 0.00 ? ? ? ? ? ? 7 PHE A HD2 20 -ATOM 30498 H HE1 . PHE A 1 10 ? -2.685 2.701 -8.411 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE1 20 -ATOM 30499 H HE2 . PHE A 1 10 ? -3.457 1.111 -4.533 1.00 0.00 ? ? ? ? ? ? 7 PHE A HE2 20 -ATOM 30500 H HZ . PHE A 1 10 ? -3.583 2.977 -6.138 1.00 0.00 ? ? ? ? ? ? 7 PHE A HZ 20 -ATOM 30501 N N . ASP A 1 11 ? 0.682 -4.200 -7.039 1.00 0.00 ? ? ? ? ? ? 8 ASP A N 20 -ATOM 30502 C CA . ASP A 1 11 ? 0.849 -5.598 -7.448 1.00 0.00 ? ? ? ? ? ? 8 ASP A CA 20 -ATOM 30503 C C . ASP A 1 11 ? -0.393 -6.027 -8.197 1.00 0.00 ? ? ? ? ? ? 8 ASP A C 20 -ATOM 30504 O O . ASP A 1 11 ? -1.467 -5.427 -7.999 1.00 0.00 ? ? ? ? ? ? 8 ASP A O 20 -ATOM 30505 C CB . ASP A 1 11 ? 1.068 -6.532 -6.237 1.00 0.00 ? ? ? ? ? ? 8 ASP A CB 20 -ATOM 30506 C CG . ASP A 1 11 ? 1.170 -8.004 -6.632 1.00 0.00 ? ? ? ? ? ? 8 ASP A CG 20 -ATOM 30507 O OD1 . ASP A 1 11 ? 2.256 -8.460 -7.047 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD1 20 -ATOM 30508 O OD2 . ASP A 1 11 ? 0.162 -8.732 -6.536 1.00 0.00 ? ? ? ? ? ? 8 ASP A OD2 20 -ATOM 30509 H H . ASP A 1 11 ? 0.719 -3.984 -6.080 1.00 0.00 ? ? ? ? ? ? 8 ASP A H 20 -ATOM 30510 H HA . ASP A 1 11 ? 1.700 -5.653 -8.111 1.00 0.00 ? ? ? ? ? ? 8 ASP A HA 20 -ATOM 30511 H HB2 . ASP A 1 11 ? 1.984 -6.251 -5.736 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB2 20 -ATOM 30512 H HB3 . ASP A 1 11 ? 0.241 -6.418 -5.551 1.00 0.00 ? ? ? ? ? ? 8 ASP A HB3 20 -ATOM 30513 N N . GLU A 1 12 ? -0.269 -7.028 -9.052 1.00 0.00 ? ? ? ? ? ? 9 GLU A N 20 -ATOM 30514 C CA . GLU A 1 12 ? -1.389 -7.501 -9.825 1.00 0.00 ? ? ? ? ? ? 9 GLU A CA 20 -ATOM 30515 C C . GLU A 1 12 ? -2.588 -7.824 -8.928 1.00 0.00 ? ? ? ? ? ? 9 GLU A C 20 -ATOM 30516 O O . GLU A 1 12 ? -3.686 -7.416 -9.238 1.00 0.00 ? ? ? ? ? ? 9 GLU A O 20 -ATOM 30517 C CB . GLU A 1 12 ? -1.015 -8.705 -10.691 1.00 0.00 ? ? ? ? ? ? 9 GLU A CB 20 -ATOM 30518 C CG . GLU A 1 12 ? -0.376 -9.850 -9.928 1.00 0.00 ? ? ? ? ? ? 9 GLU A CG 20 -ATOM 30519 C CD . GLU A 1 12 ? -0.304 -11.101 -10.739 1.00 0.00 ? ? ? ? ? ? 9 GLU A CD 20 -ATOM 30520 O OE1 . GLU A 1 12 ? 0.487 -11.173 -11.692 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE1 20 -ATOM 30521 O OE2 . GLU A 1 12 ? -1.046 -12.052 -10.435 1.00 0.00 ? ? ? ? ? ? 9 GLU A OE2 20 -ATOM 30522 H H . GLU A 1 12 ? 0.607 -7.459 -9.154 1.00 0.00 ? ? ? ? ? ? 9 GLU A H 20 -ATOM 30523 H HA . GLU A 1 12 ? -1.677 -6.686 -10.473 1.00 0.00 ? ? ? ? ? ? 9 GLU A HA 20 -ATOM 30524 H HB2 . GLU A 1 12 ? -1.906 -9.081 -11.171 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB2 20 -ATOM 30525 H HB3 . GLU A 1 12 ? -0.321 -8.379 -11.452 1.00 0.00 ? ? ? ? ? ? 9 GLU A HB3 20 -ATOM 30526 H HG2 . GLU A 1 12 ? 0.624 -9.565 -9.632 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG2 20 -ATOM 30527 H HG3 . GLU A 1 12 ? -0.973 -10.040 -9.048 1.00 0.00 ? ? ? ? ? ? 9 GLU A HG3 20 -ATOM 30528 N N . ARG A 1 13 ? -2.351 -8.461 -7.775 1.00 0.00 ? ? ? ? ? ? 10 ARG A N 20 -ATOM 30529 C CA . ARG A 1 13 ? -3.430 -8.775 -6.844 1.00 0.00 ? ? ? ? ? ? 10 ARG A CA 20 -ATOM 30530 C C . ARG A 1 13 ? -4.063 -7.519 -6.306 1.00 0.00 ? ? ? ? ? ? 10 ARG A C 20 -ATOM 30531 O O . ARG A 1 13 ? -5.291 -7.373 -6.297 1.00 0.00 ? ? ? ? ? ? 10 ARG A O 20 -ATOM 30532 C CB . ARG A 1 13 ? -2.924 -9.534 -5.659 1.00 0.00 ? ? ? ? ? ? 10 ARG A CB 20 -ATOM 30533 C CG . ARG A 1 13 ? -2.668 -11.004 -5.824 1.00 0.00 ? ? ? ? ? ? 10 ARG A CG 20 -ATOM 30534 C CD . ARG A 1 13 ? -2.268 -11.546 -4.469 1.00 0.00 ? ? ? ? ? ? 10 ARG A CD 20 -ATOM 30535 N NE . ARG A 1 13 ? -3.188 -11.025 -3.434 1.00 0.00 ? ? ? ? ? ? 10 ARG A NE 20 -ATOM 30536 C CZ . ARG A 1 13 ? -2.808 -10.477 -2.279 1.00 0.00 ? ? ? ? ? ? 10 ARG A CZ 20 -ATOM 30537 N NH1 . ARG A 1 13 ? -1.593 -10.689 -1.807 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH1 20 -ATOM 30538 N NH2 . ARG A 1 13 ? -3.665 -9.736 -1.579 1.00 0.00 ? ? ? ? ? ? 10 ARG A NH2 20 -ATOM 30539 H H . ARG A 1 13 ? -1.429 -8.706 -7.523 1.00 0.00 ? ? ? ? ? ? 10 ARG A H 20 -ATOM 30540 H HA . ARG A 1 13 ? -4.170 -9.371 -7.353 1.00 0.00 ? ? ? ? ? ? 10 ARG A HA 20 -ATOM 30541 H HB2 . ARG A 1 13 ? -1.992 -9.084 -5.350 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB2 20 -ATOM 30542 H HB3 . ARG A 1 13 ? -3.635 -9.405 -4.856 1.00 0.00 ? ? ? ? ? ? 10 ARG A HB3 20 -ATOM 30543 H HG2 . ARG A 1 13 ? -3.569 -11.491 -6.169 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG2 20 -ATOM 30544 H HG3 . ARG A 1 13 ? -1.861 -11.160 -6.524 1.00 0.00 ? ? ? ? ? ? 10 ARG A HG3 20 -ATOM 30545 H HD2 . ARG A 1 13 ? -2.325 -12.622 -4.494 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD2 20 -ATOM 30546 H HD3 . ARG A 1 13 ? -1.263 -11.229 -4.237 1.00 0.00 ? ? ? ? ? ? 10 ARG A HD3 20 -ATOM 30547 H HE . ARG A 1 13 ? -4.130 -11.003 -3.720 1.00 0.00 ? ? ? ? ? ? 10 ARG A HE 20 -ATOM 30548 H HH11 . ARG A 1 13 ? -0.935 -11.278 -2.289 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH11 20 -ATOM 30549 H HH12 . ARG A 1 13 ? -1.285 -10.263 -0.953 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH12 20 -ATOM 30550 H HH21 . ARG A 1 13 ? -4.614 -9.543 -1.878 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH21 20 -ATOM 30551 H HH22 . ARG A 1 13 ? -3.394 -9.326 -0.706 1.00 0.00 ? ? ? ? ? ? 10 ARG A HH22 20 -ATOM 30552 N N . ALA A 1 14 ? -3.210 -6.612 -5.868 1.00 0.00 ? ? ? ? ? ? 11 ALA A N 20 -ATOM 30553 C CA . ALA A 1 14 ? -3.629 -5.372 -5.253 1.00 0.00 ? ? ? ? ? ? 11 ALA A CA 20 -ATOM 30554 C C . ALA A 1 14 ? -4.484 -4.557 -6.200 1.00 0.00 ? ? ? ? ? ? 11 ALA A C 20 -ATOM 30555 O O . ALA A 1 14 ? -5.410 -3.899 -5.778 1.00 0.00 ? ? ? ? ? ? 11 ALA A O 20 -ATOM 30556 C CB . ALA A 1 14 ? -2.424 -4.570 -4.791 1.00 0.00 ? ? ? ? ? ? 11 ALA A CB 20 -ATOM 30557 H H . ALA A 1 14 ? -2.253 -6.794 -5.985 1.00 0.00 ? ? ? ? ? ? 11 ALA A H 20 -ATOM 30558 H HA . ALA A 1 14 ? -4.222 -5.623 -4.385 1.00 0.00 ? ? ? ? ? ? 11 ALA A HA 20 -ATOM 30559 H HB1 . ALA A 1 14 ? -1.823 -4.301 -5.648 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB1 20 -ATOM 30560 H HB2 . ALA A 1 14 ? -1.833 -5.162 -4.107 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB2 20 -ATOM 30561 H HB3 . ALA A 1 14 ? -2.758 -3.674 -4.290 1.00 0.00 ? ? ? ? ? ? 11 ALA A HB3 20 -ATOM 30562 N N . LEU A 1 15 ? -4.188 -4.646 -7.482 1.00 0.00 ? ? ? ? ? ? 12 LEU A N 20 -ATOM 30563 C CA . LEU A 1 15 ? -4.929 -3.914 -8.486 1.00 0.00 ? ? ? ? ? ? 12 LEU A CA 20 -ATOM 30564 C C . LEU A 1 15 ? -6.372 -4.439 -8.587 1.00 0.00 ? ? ? ? ? ? 12 LEU A C 20 -ATOM 30565 O O . LEU A 1 15 ? -7.312 -3.654 -8.697 1.00 0.00 ? ? ? ? ? ? 12 LEU A O 20 -ATOM 30566 C CB . LEU A 1 15 ? -4.230 -4.006 -9.837 1.00 0.00 ? ? ? ? ? ? 12 LEU A CB 20 -ATOM 30567 C CG . LEU A 1 15 ? -4.712 -3.036 -10.923 1.00 0.00 ? ? ? ? ? ? 12 LEU A CG 20 -ATOM 30568 C CD1 . LEU A 1 15 ? -4.507 -1.588 -10.496 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD1 20 -ATOM 30569 C CD2 . LEU A 1 15 ? -3.994 -3.304 -12.231 1.00 0.00 ? ? ? ? ? ? 12 LEU A CD2 20 -ATOM 30570 H H . LEU A 1 15 ? -3.427 -5.209 -7.748 1.00 0.00 ? ? ? ? ? ? 12 LEU A H 20 -ATOM 30571 H HA . LEU A 1 15 ? -4.958 -2.881 -8.174 1.00 0.00 ? ? ? ? ? ? 12 LEU A HA 20 -ATOM 30572 H HB2 . LEU A 1 15 ? -3.165 -3.903 -9.696 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB2 20 -ATOM 30573 H HB3 . LEU A 1 15 ? -4.422 -5.005 -10.196 1.00 0.00 ? ? ? ? ? ? 12 LEU A HB3 20 -ATOM 30574 H HG . LEU A 1 15 ? -5.769 -3.188 -11.080 1.00 0.00 ? ? ? ? ? ? 12 LEU A HG 20 -ATOM 30575 H HD11 . LEU A 1 15 ? -4.829 -0.935 -11.293 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD11 20 -ATOM 30576 H HD12 . LEU A 1 15 ? -3.462 -1.417 -10.288 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD12 20 -ATOM 30577 H HD13 . LEU A 1 15 ? -5.091 -1.382 -9.611 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD13 20 -ATOM 30578 H HD21 . LEU A 1 15 ? -4.208 -4.311 -12.554 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD21 20 -ATOM 30579 H HD22 . LEU A 1 15 ? -2.930 -3.178 -12.095 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD22 20 -ATOM 30580 H HD23 . LEU A 1 15 ? -4.347 -2.609 -12.977 1.00 0.00 ? ? ? ? ? ? 12 LEU A HD23 20 -ATOM 30581 N N . LYS A 1 16 ? -6.547 -5.763 -8.515 1.00 0.00 ? ? ? ? ? ? 13 LYS A N 20 -ATOM 30582 C CA . LYS A 1 16 ? -7.895 -6.357 -8.553 1.00 0.00 ? ? ? ? ? ? 13 LYS A CA 20 -ATOM 30583 C C . LYS A 1 16 ? -8.672 -5.936 -7.329 1.00 0.00 ? ? ? ? ? ? 13 LYS A C 20 -ATOM 30584 O O . LYS A 1 16 ? -9.843 -5.567 -7.415 1.00 0.00 ? ? ? ? ? ? 13 LYS A O 20 -ATOM 30585 C CB . LYS A 1 16 ? -7.878 -7.906 -8.639 1.00 0.00 ? ? ? ? ? ? 13 LYS A CB 20 -ATOM 30586 C CG . LYS A 1 16 ? -7.559 -8.512 -10.011 1.00 0.00 ? ? ? ? ? ? 13 LYS A CG 20 -ATOM 30587 C CD . LYS A 1 16 ? -6.177 -8.169 -10.485 1.00 0.00 ? ? ? ? ? ? 13 LYS A CD 20 -ATOM 30588 C CE . LYS A 1 16 ? -5.807 -8.848 -11.793 1.00 0.00 ? ? ? ? ? ? 13 LYS A CE 20 -ATOM 30589 N NZ . LYS A 1 16 ? -5.732 -10.315 -11.677 1.00 0.00 ? ? ? ? ? ? 13 LYS A NZ 20 -ATOM 30590 H H . LYS A 1 16 ? -5.762 -6.344 -8.413 1.00 0.00 ? ? ? ? ? ? 13 LYS A H 20 -ATOM 30591 H HA . LYS A 1 16 ? -8.397 -5.957 -9.421 1.00 0.00 ? ? ? ? ? ? 13 LYS A HA 20 -ATOM 30592 H HB2 . LYS A 1 16 ? -7.140 -8.273 -7.943 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB2 20 -ATOM 30593 H HB3 . LYS A 1 16 ? -8.847 -8.269 -8.326 1.00 0.00 ? ? ? ? ? ? 13 LYS A HB3 20 -ATOM 30594 H HG2 . LYS A 1 16 ? -7.648 -9.586 -9.949 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG2 20 -ATOM 30595 H HG3 . LYS A 1 16 ? -8.279 -8.135 -10.722 1.00 0.00 ? ? ? ? ? ? 13 LYS A HG3 20 -ATOM 30596 H HD2 . LYS A 1 16 ? -6.116 -7.099 -10.613 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD2 20 -ATOM 30597 H HD3 . LYS A 1 16 ? -5.478 -8.469 -9.716 1.00 0.00 ? ? ? ? ? ? 13 LYS A HD3 20 -ATOM 30598 H HE2 . LYS A 1 16 ? -6.547 -8.602 -12.539 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE2 20 -ATOM 30599 H HE3 . LYS A 1 16 ? -4.843 -8.478 -12.108 1.00 0.00 ? ? ? ? ? ? 13 LYS A HE3 20 -ATOM 30600 H HZ1 . LYS A 1 16 ? -5.473 -10.721 -12.597 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ1 20 -ATOM 30601 H HZ2 . LYS A 1 16 ? -6.654 -10.711 -11.402 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ2 20 -ATOM 30602 H HZ3 . LYS A 1 16 ? -5.021 -10.610 -10.979 1.00 0.00 ? ? ? ? ? ? 13 LYS A HZ3 20 -ATOM 30603 N N . GLU A 1 17 ? -8.000 -5.951 -6.199 1.00 0.00 ? ? ? ? ? ? 14 GLU A N 20 -ATOM 30604 C CA . GLU A 1 17 ? -8.602 -5.577 -4.944 1.00 0.00 ? ? ? ? ? ? 14 GLU A CA 20 -ATOM 30605 C C . GLU A 1 17 ? -8.920 -4.078 -4.893 1.00 0.00 ? ? ? ? ? ? 14 GLU A C 20 -ATOM 30606 O O . GLU A 1 17 ? -9.919 -3.671 -4.335 1.00 0.00 ? ? ? ? ? ? 14 GLU A O 20 -ATOM 30607 C CB . GLU A 1 17 ? -7.782 -6.074 -3.758 1.00 0.00 ? ? ? ? ? ? 14 GLU A CB 20 -ATOM 30608 C CG . GLU A 1 17 ? -7.647 -7.591 -3.779 1.00 0.00 ? ? ? ? ? ? 14 GLU A CG 20 -ATOM 30609 C CD . GLU A 1 17 ? -7.137 -8.198 -2.496 1.00 0.00 ? ? ? ? ? ? 14 GLU A CD 20 -ATOM 30610 O OE1 . GLU A 1 17 ? -7.891 -8.235 -1.506 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE1 20 -ATOM 30611 O OE2 . GLU A 1 17 ? -6.008 -8.735 -2.472 1.00 0.00 ? ? ? ? ? ? 14 GLU A OE2 20 -ATOM 30612 H H . GLU A 1 17 ? -7.061 -6.241 -6.214 1.00 0.00 ? ? ? ? ? ? 14 GLU A H 20 -ATOM 30613 H HA . GLU A 1 17 ? -9.553 -6.089 -4.942 1.00 0.00 ? ? ? ? ? ? 14 GLU A HA 20 -ATOM 30614 H HB2 . GLU A 1 17 ? -6.800 -5.624 -3.791 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB2 20 -ATOM 30615 H HB3 . GLU A 1 17 ? -8.274 -5.785 -2.842 1.00 0.00 ? ? ? ? ? ? 14 GLU A HB3 20 -ATOM 30616 H HG2 . GLU A 1 17 ? -8.607 -8.023 -4.017 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG2 20 -ATOM 30617 H HG3 . GLU A 1 17 ? -6.960 -7.843 -4.574 1.00 0.00 ? ? ? ? ? ? 14 GLU A HG3 20 -ATOM 30618 N N . TRP A 1 18 ? -8.069 -3.286 -5.492 1.00 0.00 ? ? ? ? ? ? 15 TRP A N 20 -ATOM 30619 C CA . TRP A 1 18 ? -8.264 -1.842 -5.639 1.00 0.00 ? ? ? ? ? ? 15 TRP A CA 20 -ATOM 30620 C C . TRP A 1 18 ? -9.555 -1.558 -6.448 1.00 0.00 ? ? ? ? ? ? 15 TRP A C 20 -ATOM 30621 O O . TRP A 1 18 ? -10.315 -0.617 -6.155 1.00 0.00 ? ? ? ? ? ? 15 TRP A O 20 -ATOM 30622 C CB . TRP A 1 18 ? -7.021 -1.283 -6.349 1.00 0.00 ? ? ? ? ? ? 15 TRP A CB 20 -ATOM 30623 C CG . TRP A 1 18 ? -7.046 0.161 -6.694 1.00 0.00 ? ? ? ? ? ? 15 TRP A CG 20 -ATOM 30624 C CD1 . TRP A 1 18 ? -7.233 0.692 -7.936 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD1 20 -ATOM 30625 C CD2 . TRP A 1 18 ? -6.858 1.259 -5.799 1.00 0.00 ? ? ? ? ? ? 15 TRP A CD2 20 -ATOM 30626 N NE1 . TRP A 1 18 ? -7.170 2.065 -7.868 1.00 0.00 ? ? ? ? ? ? 15 TRP A NE1 20 -ATOM 30627 C CE2 . TRP A 1 18 ? -6.943 2.436 -6.563 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE2 20 -ATOM 30628 C CE3 . TRP A 1 18 ? -6.626 1.359 -4.422 1.00 0.00 ? ? ? ? ? ? 15 TRP A CE3 20 -ATOM 30629 C CZ2 . TRP A 1 18 ? -6.802 3.702 -5.998 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ2 20 -ATOM 30630 C CZ3 . TRP A 1 18 ? -6.486 2.611 -3.864 1.00 0.00 ? ? ? ? ? ? 15 TRP A CZ3 20 -ATOM 30631 C CH2 . TRP A 1 18 ? -6.575 3.766 -4.649 1.00 0.00 ? ? ? ? ? ? 15 TRP A CH2 20 -ATOM 30632 H H . TRP A 1 18 ? -7.235 -3.675 -5.837 1.00 0.00 ? ? ? ? ? ? 15 TRP A H 20 -ATOM 30633 H HA . TRP A 1 18 ? -8.351 -1.399 -4.658 1.00 0.00 ? ? ? ? ? ? 15 TRP A HA 20 -ATOM 30634 H HB2 . TRP A 1 18 ? -6.158 -1.440 -5.719 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB2 20 -ATOM 30635 H HB3 . TRP A 1 18 ? -6.882 -1.843 -7.262 1.00 0.00 ? ? ? ? ? ? 15 TRP A HB3 20 -ATOM 30636 H HD1 . TRP A 1 18 ? -7.396 0.085 -8.818 1.00 0.00 ? ? ? ? ? ? 15 TRP A HD1 20 -ATOM 30637 H HE1 . TRP A 1 18 ? -7.265 2.685 -8.625 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE1 20 -ATOM 30638 H HE3 . TRP A 1 18 ? -6.556 0.476 -3.803 1.00 0.00 ? ? ? ? ? ? 15 TRP A HE3 20 -ATOM 30639 H HZ2 . TRP A 1 18 ? -6.866 4.604 -6.589 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ2 20 -ATOM 30640 H HZ3 . TRP A 1 18 ? -6.308 2.708 -2.803 1.00 0.00 ? ? ? ? ? ? 15 TRP A HZ3 20 -ATOM 30641 H HH2 . TRP A 1 18 ? -6.456 4.722 -4.161 1.00 0.00 ? ? ? ? ? ? 15 TRP A HH2 20 -ATOM 30642 N N . ARG A 1 19 ? -9.798 -2.386 -7.448 1.00 0.00 ? ? ? ? ? ? 16 ARG A N 20 -ATOM 30643 C CA . ARG A 1 19 ? -11.007 -2.294 -8.258 1.00 0.00 ? ? ? ? ? ? 16 ARG A CA 20 -ATOM 30644 C C . ARG A 1 19 ? -12.205 -2.797 -7.453 1.00 0.00 ? ? ? ? ? ? 16 ARG A C 20 -ATOM 30645 O O . ARG A 1 19 ? -13.316 -2.276 -7.571 1.00 0.00 ? ? ? ? ? ? 16 ARG A O 20 -ATOM 30646 C CB . ARG A 1 19 ? -10.850 -3.102 -9.544 1.00 0.00 ? ? ? ? ? ? 16 ARG A CB 20 -ATOM 30647 C CG . ARG A 1 19 ? -9.744 -2.598 -10.449 1.00 0.00 ? ? ? ? ? ? 16 ARG A CG 20 -ATOM 30648 C CD . ARG A 1 19 ? -9.538 -3.514 -11.636 1.00 0.00 ? ? ? ? ? ? 16 ARG A CD 20 -ATOM 30649 N NE . ARG A 1 19 ? -8.475 -3.029 -12.517 1.00 0.00 ? ? ? ? ? ? 16 ARG A NE 20 -ATOM 30650 C CZ . ARG A 1 19 ? -7.780 -3.771 -13.390 1.00 0.00 ? ? ? ? ? ? 16 ARG A CZ 20 -ATOM 30651 N NH1 . ARG A 1 19 ? -8.011 -5.067 -13.504 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH1 20 -ATOM 30652 N NH2 . ARG A 1 19 ? -6.853 -3.196 -14.147 1.00 0.00 ? ? ? ? ? ? 16 ARG A NH2 20 -ATOM 30653 H H . ARG A 1 19 ? -9.126 -3.075 -7.647 1.00 0.00 ? ? ? ? ? ? 16 ARG A H 20 -ATOM 30654 H HA . ARG A 1 19 ? -11.162 -1.254 -8.501 1.00 0.00 ? ? ? ? ? ? 16 ARG A HA 20 -ATOM 30655 H HB2 . ARG A 1 19 ? -10.636 -4.128 -9.285 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB2 20 -ATOM 30656 H HB3 . ARG A 1 19 ? -11.781 -3.065 -10.090 1.00 0.00 ? ? ? ? ? ? 16 ARG A HB3 20 -ATOM 30657 H HG2 . ARG A 1 19 ? -10.008 -1.613 -10.804 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG2 20 -ATOM 30658 H HG3 . ARG A 1 19 ? -8.826 -2.543 -9.883 1.00 0.00 ? ? ? ? ? ? 16 ARG A HG3 20 -ATOM 30659 H HD2 . ARG A 1 19 ? -9.265 -4.489 -11.265 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD2 20 -ATOM 30660 H HD3 . ARG A 1 19 ? -10.461 -3.570 -12.192 1.00 0.00 ? ? ? ? ? ? 16 ARG A HD3 20 -ATOM 30661 H HE . ARG A 1 19 ? -8.283 -2.065 -12.443 1.00 0.00 ? ? ? ? ? ? 16 ARG A HE 20 -ATOM 30662 H HH11 . ARG A 1 19 ? -8.705 -5.549 -12.966 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH11 20 -ATOM 30663 H HH12 . ARG A 1 19 ? -7.488 -5.646 -14.138 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH12 20 -ATOM 30664 H HH21 . ARG A 1 19 ? -6.663 -2.213 -14.070 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH21 20 -ATOM 30665 H HH22 . ARG A 1 19 ? -6.325 -3.715 -14.826 1.00 0.00 ? ? ? ? ? ? 16 ARG A HH22 20 -ATOM 30666 N N . LYS A 1 20 ? -11.948 -3.802 -6.627 1.00 0.00 ? ? ? ? ? ? 17 LYS A N 20 -ATOM 30667 C CA . LYS A 1 20 ? -12.924 -4.389 -5.719 1.00 0.00 ? ? ? ? ? ? 17 LYS A CA 20 -ATOM 30668 C C . LYS A 1 20 ? -13.370 -3.366 -4.667 1.00 0.00 ? ? ? ? ? ? 17 LYS A C 20 -ATOM 30669 O O . LYS A 1 20 ? -14.513 -3.381 -4.215 1.00 0.00 ? ? ? ? ? ? 17 LYS A O 20 -ATOM 30670 C CB . LYS A 1 20 ? -12.297 -5.613 -5.045 1.00 0.00 ? ? ? ? ? ? 17 LYS A CB 20 -ATOM 30671 C CG . LYS A 1 20 ? -13.150 -6.262 -3.985 1.00 0.00 ? ? ? ? ? ? 17 LYS A CG 20 -ATOM 30672 C CD . LYS A 1 20 ? -12.443 -7.441 -3.361 1.00 0.00 ? ? ? ? ? ? 17 LYS A CD 20 -ATOM 30673 C CE . LYS A 1 20 ? -13.215 -7.960 -2.171 1.00 0.00 ? ? ? ? ? ? 17 LYS A CE 20 -ATOM 30674 N NZ . LYS A 1 20 ? -14.567 -8.437 -2.530 1.00 0.00 ? ? ? ? ? ? 17 LYS A NZ 20 -ATOM 30675 H H . LYS A 1 20 ? -11.045 -4.187 -6.650 1.00 0.00 ? ? ? ? ? ? 17 LYS A H 20 -ATOM 30676 H HA . LYS A 1 20 ? -13.795 -4.710 -6.268 1.00 0.00 ? ? ? ? ? ? 17 LYS A HA 20 -ATOM 30677 H HB2 . LYS A 1 20 ? -12.075 -6.354 -5.797 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB2 20 -ATOM 30678 H HB3 . LYS A 1 20 ? -11.375 -5.293 -4.585 1.00 0.00 ? ? ? ? ? ? 17 LYS A HB3 20 -ATOM 30679 H HG2 . LYS A 1 20 ? -13.362 -5.533 -3.218 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG2 20 -ATOM 30680 H HG3 . LYS A 1 20 ? -14.075 -6.596 -4.431 1.00 0.00 ? ? ? ? ? ? 17 LYS A HG3 20 -ATOM 30681 H HD2 . LYS A 1 20 ? -12.352 -8.230 -4.093 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD2 20 -ATOM 30682 H HD3 . LYS A 1 20 ? -11.460 -7.131 -3.036 1.00 0.00 ? ? ? ? ? ? 17 LYS A HD3 20 -ATOM 30683 H HE2 . LYS A 1 20 ? -12.666 -8.764 -1.709 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE2 20 -ATOM 30684 H HE3 . LYS A 1 20 ? -13.312 -7.130 -1.488 1.00 0.00 ? ? ? ? ? ? 17 LYS A HE3 20 -ATOM 30685 H HZ1 . LYS A 1 20 ? -15.062 -8.744 -1.670 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ1 20 -ATOM 30686 H HZ2 . LYS A 1 20 ? -14.513 -9.238 -3.190 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ2 20 -ATOM 30687 H HZ3 . LYS A 1 20 ? -15.124 -7.684 -2.980 1.00 0.00 ? ? ? ? ? ? 17 LYS A HZ3 20 -ATOM 30688 N N . LEU A 1 21 ? -12.465 -2.496 -4.288 1.00 0.00 ? ? ? ? ? ? 18 LEU A N 20 -ATOM 30689 C CA . LEU A 1 21 ? -12.738 -1.448 -3.322 1.00 0.00 ? ? ? ? ? ? 18 LEU A CA 20 -ATOM 30690 C C . LEU A 1 21 ? -13.765 -0.460 -3.817 1.00 0.00 ? ? ? ? ? ? 18 LEU A C 20 -ATOM 30691 O O . LEU A 1 21 ? -13.870 -0.190 -5.024 1.00 0.00 ? ? ? ? ? ? 18 LEU A O 20 -ATOM 30692 C CB . LEU A 1 21 ? -11.467 -0.697 -2.947 1.00 0.00 ? ? ? ? ? ? 18 LEU A CB 20 -ATOM 30693 C CG . LEU A 1 21 ? -10.857 -1.023 -1.591 1.00 0.00 ? ? ? ? ? ? 18 LEU A CG 20 -ATOM 30694 C CD1 . LEU A 1 21 ? -10.486 -2.487 -1.470 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD1 20 -ATOM 30695 C CD2 . LEU A 1 21 ? -9.666 -0.137 -1.343 1.00 0.00 ? ? ? ? ? ? 18 LEU A CD2 20 -ATOM 30696 H H . LEU A 1 21 ? -11.564 -2.571 -4.671 1.00 0.00 ? ? ? ? ? ? 18 LEU A H 20 -ATOM 30697 H HA . LEU A 1 21 ? -13.120 -1.919 -2.428 1.00 0.00 ? ? ? ? ? ? 18 LEU A HA 20 -ATOM 30698 H HB2 . LEU A 1 21 ? -10.724 -0.894 -3.704 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB2 20 -ATOM 30699 H HB3 . LEU A 1 21 ? -11.693 0.359 -2.967 1.00 0.00 ? ? ? ? ? ? 18 LEU A HB3 20 -ATOM 30700 H HG . LEU A 1 21 ? -11.587 -0.807 -0.828 1.00 0.00 ? ? ? ? ? ? 18 LEU A HG 20 -ATOM 30701 H HD11 . LEU A 1 21 ? -10.051 -2.670 -0.498 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD11 20 -ATOM 30702 H HD12 . LEU A 1 21 ? -9.782 -2.749 -2.245 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD12 20 -ATOM 30703 H HD13 . LEU A 1 21 ? -11.386 -3.074 -1.577 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD13 20 -ATOM 30704 H HD21 . LEU A 1 21 ? -10.000 0.891 -1.356 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD21 20 -ATOM 30705 H HD22 . LEU A 1 21 ? -8.929 -0.290 -2.116 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD22 20 -ATOM 30706 H HD23 . LEU A 1 21 ? -9.244 -0.365 -0.376 1.00 0.00 ? ? ? ? ? ? 18 LEU A HD23 20 -ATOM 30707 N N . GLY A 1 22 ? -14.525 0.057 -2.878 1.00 0.00 ? ? ? ? ? ? 19 GLY A N 20 -ATOM 30708 C CA . GLY A 1 22 ? -15.500 1.074 -3.180 1.00 0.00 ? ? ? ? ? ? 19 GLY A CA 20 -ATOM 30709 C C . GLY A 1 22 ? -14.803 2.379 -3.480 1.00 0.00 ? ? ? ? ? ? 19 GLY A C 20 -ATOM 30710 O O . GLY A 1 22 ? -13.741 2.654 -2.892 1.00 0.00 ? ? ? ? ? ? 19 GLY A O 20 -ATOM 30711 H H . GLY A 1 22 ? -14.399 -0.259 -1.960 1.00 0.00 ? ? ? ? ? ? 19 GLY A H 20 -ATOM 30712 H HA2 . GLY A 1 22 ? -16.079 0.765 -4.040 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA2 20 -ATOM 30713 H HA3 . GLY A 1 22 ? -16.154 1.210 -2.332 1.00 0.00 ? ? ? ? ? ? 19 GLY A HA3 20 -ATOM 30714 N N . SER A 1 23 ? -15.392 3.168 -4.354 1.00 0.00 ? ? ? ? ? ? 20 SER A N 20 -ATOM 30715 C CA . SER A 1 23 ? -14.826 4.415 -4.846 1.00 0.00 ? ? ? ? ? ? 20 SER A CA 20 -ATOM 30716 C C . SER A 1 23 ? -14.367 5.340 -3.724 1.00 0.00 ? ? ? ? ? ? 20 SER A C 20 -ATOM 30717 O O . SER A 1 23 ? -13.216 5.714 -3.665 1.00 0.00 ? ? ? ? ? ? 20 SER A O 20 -ATOM 30718 C CB . SER A 1 23 ? -15.858 5.096 -5.726 1.00 0.00 ? ? ? ? ? ? 20 SER A CB 20 -ATOM 30719 O OG . SER A 1 23 ? -17.122 5.103 -5.078 1.00 0.00 ? ? ? ? ? ? 20 SER A OG 20 -ATOM 30720 H H . SER A 1 23 ? -16.280 2.928 -4.696 1.00 0.00 ? ? ? ? ? ? 20 SER A H 20 -ATOM 30721 H HA . SER A 1 23 ? -13.974 4.170 -5.464 1.00 0.00 ? ? ? ? ? ? 20 SER A HA 20 -ATOM 30722 H HB2 . SER A 1 23 ? -15.554 6.114 -5.918 1.00 0.00 ? ? ? ? ? ? 20 SER A HB2 20 -ATOM 30723 H HB3 . SER A 1 23 ? -15.947 4.559 -6.657 1.00 0.00 ? ? ? ? ? ? 20 SER A HB3 20 -ATOM 30724 H HG . SER A 1 23 ? -17.687 5.730 -5.543 1.00 0.00 ? ? ? ? ? ? 20 SER A HG 20 -ATOM 30725 N N . THR A 1 24 ? -15.259 5.638 -2.825 1.00 0.00 ? ? ? ? ? ? 21 THR A N 20 -ATOM 30726 C CA . THR A 1 24 ? -14.995 6.529 -1.718 1.00 0.00 ? ? ? ? ? ? 21 THR A CA 20 -ATOM 30727 C C . THR A 1 24 ? -13.833 6.013 -0.845 1.00 0.00 ? ? ? ? ? ? 21 THR A C 20 -ATOM 30728 O O . THR A 1 24 ? -12.952 6.779 -0.455 1.00 0.00 ? ? ? ? ? ? 21 THR A O 20 -ATOM 30729 C CB . THR A 1 24 ? -16.274 6.699 -0.881 1.00 0.00 ? ? ? ? ? ? 21 THR A CB 20 -ATOM 30730 O OG1 . THR A 1 24 ? -17.347 7.071 -1.765 1.00 0.00 ? ? ? ? ? ? 21 THR A OG1 20 -ATOM 30731 C CG2 . THR A 1 24 ? -16.104 7.789 0.165 1.00 0.00 ? ? ? ? ? ? 21 THR A CG2 20 -ATOM 30732 H H . THR A 1 24 ? -16.150 5.246 -2.929 1.00 0.00 ? ? ? ? ? ? 21 THR A H 20 -ATOM 30733 H HA . THR A 1 24 ? -14.722 7.490 -2.127 1.00 0.00 ? ? ? ? ? ? 21 THR A HA 20 -ATOM 30734 H HB . THR A 1 24 ? -16.502 5.761 -0.398 1.00 0.00 ? ? ? ? ? ? 21 THR A HB 20 -ATOM 30735 H HG1 . THR A 1 24 ? -18.161 7.056 -1.246 1.00 0.00 ? ? ? ? ? ? 21 THR A HG1 20 -ATOM 30736 H HG21 . THR A 1 24 ? -15.288 7.530 0.823 1.00 0.00 ? ? ? ? ? ? 21 THR A HG21 20 -ATOM 30737 H HG22 . THR A 1 24 ? -17.012 7.887 0.740 1.00 0.00 ? ? ? ? ? ? 21 THR A HG22 20 -ATOM 30738 H HG23 . THR A 1 24 ? -15.885 8.726 -0.325 1.00 0.00 ? ? ? ? ? ? 21 THR A HG23 20 -ATOM 30739 N N . VAL A 1 25 ? -13.797 4.709 -0.619 1.00 0.00 ? ? ? ? ? ? 22 VAL A N 20 -ATOM 30740 C CA . VAL A 1 25 ? -12.770 4.111 0.215 1.00 0.00 ? ? ? ? ? ? 22 VAL A CA 20 -ATOM 30741 C C . VAL A 1 25 ? -11.419 4.215 -0.474 1.00 0.00 ? ? ? ? ? ? 22 VAL A C 20 -ATOM 30742 O O . VAL A 1 25 ? -10.427 4.650 0.128 1.00 0.00 ? ? ? ? ? ? 22 VAL A O 20 -ATOM 30743 C CB . VAL A 1 25 ? -13.076 2.625 0.524 1.00 0.00 ? ? ? ? ? ? 22 VAL A CB 20 -ATOM 30744 C CG1 . VAL A 1 25 ? -11.981 2.018 1.389 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG1 20 -ATOM 30745 C CG2 . VAL A 1 25 ? -14.427 2.485 1.206 1.00 0.00 ? ? ? ? ? ? 22 VAL A CG2 20 -ATOM 30746 H H . VAL A 1 25 ? -14.465 4.136 -1.052 1.00 0.00 ? ? ? ? ? ? 22 VAL A H 20 -ATOM 30747 H HA . VAL A 1 25 ? -12.726 4.662 1.144 1.00 0.00 ? ? ? ? ? ? 22 VAL A HA 20 -ATOM 30748 H HB . VAL A 1 25 ? -13.107 2.086 -0.413 1.00 0.00 ? ? ? ? ? ? 22 VAL A HB 20 -ATOM 30749 H HG11 . VAL A 1 25 ? -11.916 2.559 2.322 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG11 20 -ATOM 30750 H HG12 . VAL A 1 25 ? -11.036 2.082 0.872 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG12 20 -ATOM 30751 H HG13 . VAL A 1 25 ? -12.213 0.983 1.592 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG13 20 -ATOM 30752 H HG21 . VAL A 1 25 ? -14.624 1.441 1.404 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG21 20 -ATOM 30753 H HG22 . VAL A 1 25 ? -15.197 2.887 0.565 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG22 20 -ATOM 30754 H HG23 . VAL A 1 25 ? -14.414 3.031 2.137 1.00 0.00 ? ? ? ? ? ? 22 VAL A HG23 20 -ATOM 30755 N N . ARG A 1 26 ? -11.395 3.860 -1.744 1.00 0.00 ? ? ? ? ? ? 23 ARG A N 20 -ATOM 30756 C CA . ARG A 1 26 ? -10.175 3.924 -2.499 1.00 0.00 ? ? ? ? ? ? 23 ARG A CA 20 -ATOM 30757 C C . ARG A 1 26 ? -9.717 5.354 -2.709 1.00 0.00 ? ? ? ? ? ? 23 ARG A C 20 -ATOM 30758 O O . ARG A 1 26 ? -8.537 5.598 -2.741 1.00 0.00 ? ? ? ? ? ? 23 ARG A O 20 -ATOM 30759 C CB . ARG A 1 26 ? -10.215 3.156 -3.813 1.00 0.00 ? ? ? ? ? ? 23 ARG A CB 20 -ATOM 30760 C CG . ARG A 1 26 ? -11.308 3.559 -4.760 1.00 0.00 ? ? ? ? ? ? 23 ARG A CG 20 -ATOM 30761 C CD . ARG A 1 26 ? -11.023 3.023 -6.135 1.00 0.00 ? ? ? ? ? ? 23 ARG A CD 20 -ATOM 30762 N NE . ARG A 1 26 ? -12.057 3.387 -7.105 1.00 0.00 ? ? ? ? ? ? 23 ARG A NE 20 -ATOM 30763 C CZ . ARG A 1 26 ? -12.638 2.537 -7.964 1.00 0.00 ? ? ? ? ? ? 23 ARG A CZ 20 -ATOM 30764 N NH1 . ARG A 1 26 ? -12.377 1.221 -7.905 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH1 20 -ATOM 30765 N NH2 . ARG A 1 26 ? -13.490 3.000 -8.870 1.00 0.00 ? ? ? ? ? ? 23 ARG A NH2 20 -ATOM 30766 H H . ARG A 1 26 ? -12.229 3.555 -2.167 1.00 0.00 ? ? ? ? ? ? 23 ARG A H 20 -ATOM 30767 H HA . ARG A 1 26 ? -9.432 3.467 -1.861 1.00 0.00 ? ? ? ? ? ? 23 ARG A HA 20 -ATOM 30768 H HB2 . ARG A 1 26 ? -9.272 3.300 -4.320 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB2 20 -ATOM 30769 H HB3 . ARG A 1 26 ? -10.325 2.103 -3.596 1.00 0.00 ? ? ? ? ? ? 23 ARG A HB3 20 -ATOM 30770 H HG2 . ARG A 1 26 ? -12.217 3.099 -4.396 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG2 20 -ATOM 30771 H HG3 . ARG A 1 26 ? -11.451 4.631 -4.768 1.00 0.00 ? ? ? ? ? ? 23 ARG A HG3 20 -ATOM 30772 H HD2 . ARG A 1 26 ? -10.077 3.447 -6.442 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD2 20 -ATOM 30773 H HD3 . ARG A 1 26 ? -10.937 1.947 -6.081 1.00 0.00 ? ? ? ? ? ? 23 ARG A HD3 20 -ATOM 30774 H HE . ARG A 1 26 ? -12.287 4.347 -7.124 1.00 0.00 ? ? ? ? ? ? 23 ARG A HE 20 -ATOM 30775 H HH11 . ARG A 1 26 ? -11.749 0.824 -7.231 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH11 20 -ATOM 30776 H HH12 . ARG A 1 26 ? -12.815 0.580 -8.540 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH12 20 -ATOM 30777 H HH21 . ARG A 1 26 ? -13.715 3.979 -8.940 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH21 20 -ATOM 30778 H HH22 . ARG A 1 26 ? -13.946 2.396 -9.527 1.00 0.00 ? ? ? ? ? ? 23 ARG A HH22 20 -ATOM 30779 N N . GLU A 1 27 ? -10.655 6.290 -2.875 1.00 0.00 ? ? ? ? ? ? 24 GLU A N 20 -ATOM 30780 C CA . GLU A 1 27 ? -10.301 7.696 -3.018 1.00 0.00 ? ? ? ? ? ? 24 GLU A CA 20 -ATOM 30781 C C . GLU A 1 27 ? -9.534 8.192 -1.828 1.00 0.00 ? ? ? ? ? ? 24 GLU A C 20 -ATOM 30782 O O . GLU A 1 27 ? -8.516 8.847 -1.993 1.00 0.00 ? ? ? ? ? ? 24 GLU A O 20 -ATOM 30783 C CB . GLU A 1 27 ? -11.494 8.602 -3.236 1.00 0.00 ? ? ? ? ? ? 24 GLU A CB 20 -ATOM 30784 C CG . GLU A 1 27 ? -12.184 8.437 -4.559 1.00 0.00 ? ? ? ? ? ? 24 GLU A CG 20 -ATOM 30785 C CD . GLU A 1 27 ? -13.177 9.527 -4.784 1.00 0.00 ? ? ? ? ? ? 24 GLU A CD 20 -ATOM 30786 O OE1 . GLU A 1 27 ? -14.152 9.637 -4.015 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE1 20 -ATOM 30787 O OE2 . GLU A 1 27 ? -12.973 10.341 -5.712 1.00 0.00 ? ? ? ? ? ? 24 GLU A OE2 20 -ATOM 30788 H H . GLU A 1 27 ? -11.603 6.029 -2.919 1.00 0.00 ? ? ? ? ? ? 24 GLU A H 20 -ATOM 30789 H HA . GLU A 1 27 ? -9.653 7.768 -3.879 1.00 0.00 ? ? ? ? ? ? 24 GLU A HA 20 -ATOM 30790 H HB2 . GLU A 1 27 ? -12.218 8.388 -2.463 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB2 20 -ATOM 30791 H HB3 . GLU A 1 27 ? -11.175 9.629 -3.139 1.00 0.00 ? ? ? ? ? ? 24 GLU A HB3 20 -ATOM 30792 H HG2 . GLU A 1 27 ? -11.447 8.467 -5.347 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG2 20 -ATOM 30793 H HG3 . GLU A 1 27 ? -12.698 7.488 -4.573 1.00 0.00 ? ? ? ? ? ? 24 GLU A HG3 20 -ATOM 30794 N N . GLN A 1 28 ? -9.998 7.866 -0.631 1.00 0.00 ? ? ? ? ? ? 25 GLN A N 20 -ATOM 30795 C CA . GLN A 1 28 ? -9.298 8.305 0.562 1.00 0.00 ? ? ? ? ? ? 25 GLN A CA 20 -ATOM 30796 C C . GLN A 1 28 ? -7.951 7.629 0.703 1.00 0.00 ? ? ? ? ? ? 25 GLN A C 20 -ATOM 30797 O O . GLN A 1 28 ? -6.989 8.250 1.148 1.00 0.00 ? ? ? ? ? ? 25 GLN A O 20 -ATOM 30798 C CB . GLN A 1 28 ? -10.135 8.222 1.842 1.00 0.00 ? ? ? ? ? ? 25 GLN A CB 20 -ATOM 30799 C CG . GLN A 1 28 ? -11.053 9.425 2.068 1.00 0.00 ? ? ? ? ? ? 25 GLN A CG 20 -ATOM 30800 C CD . GLN A 1 28 ? -12.188 9.552 1.078 1.00 0.00 ? ? ? ? ? ? 25 GLN A CD 20 -ATOM 30801 O OE1 . GLN A 1 28 ? -12.057 10.170 0.012 1.00 0.00 ? ? ? ? ? ? 25 GLN A OE1 20 -ATOM 30802 N NE2 . GLN A 1 28 ? -13.314 9.010 1.431 1.00 0.00 ? ? ? ? ? ? 25 GLN A NE2 20 -ATOM 30803 H H . GLN A 1 28 ? -10.817 7.324 -0.554 1.00 0.00 ? ? ? ? ? ? 25 GLN A H 20 -ATOM 30804 H HA . GLN A 1 28 ? -9.071 9.344 0.368 1.00 0.00 ? ? ? ? ? ? 25 GLN A HA 20 -ATOM 30805 H HB2 . GLN A 1 28 ? -10.750 7.337 1.796 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB2 20 -ATOM 30806 H HB3 . GLN A 1 28 ? -9.468 8.144 2.687 1.00 0.00 ? ? ? ? ? ? 25 GLN A HB3 20 -ATOM 30807 H HG2 . GLN A 1 28 ? -11.484 9.354 3.056 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG2 20 -ATOM 30808 H HG3 . GLN A 1 28 ? -10.450 10.320 2.015 1.00 0.00 ? ? ? ? ? ? 25 GLN A HG3 20 -ATOM 30809 H HE21 . GLN A 1 28 ? -13.372 8.550 2.296 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE21 20 -ATOM 30810 H HE22 . GLN A 1 28 ? -14.074 9.102 0.823 1.00 0.00 ? ? ? ? ? ? 25 GLN A HE22 20 -ATOM 30811 N N . LEU A 1 29 ? -7.870 6.374 0.296 1.00 0.00 ? ? ? ? ? ? 26 LEU A N 20 -ATOM 30812 C CA . LEU A 1 29 ? -6.593 5.678 0.272 1.00 0.00 ? ? ? ? ? ? 26 LEU A CA 20 -ATOM 30813 C C . LEU A 1 29 ? -5.661 6.323 -0.746 1.00 0.00 ? ? ? ? ? ? 26 LEU A C 20 -ATOM 30814 O O . LEU A 1 29 ? -4.494 6.516 -0.471 1.00 0.00 ? ? ? ? ? ? 26 LEU A O 20 -ATOM 30815 C CB . LEU A 1 29 ? -6.768 4.186 -0.014 1.00 0.00 ? ? ? ? ? ? 26 LEU A CB 20 -ATOM 30816 C CG . LEU A 1 29 ? -7.410 3.355 1.108 1.00 0.00 ? ? ? ? ? ? 26 LEU A CG 20 -ATOM 30817 C CD1 . LEU A 1 29 ? -7.623 1.931 0.653 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD1 20 -ATOM 30818 C CD2 . LEU A 1 29 ? -6.528 3.367 2.352 1.00 0.00 ? ? ? ? ? ? 26 LEU A CD2 20 -ATOM 30819 H H . LEU A 1 29 ? -8.689 5.906 0.018 1.00 0.00 ? ? ? ? ? ? 26 LEU A H 20 -ATOM 30820 H HA . LEU A 1 29 ? -6.147 5.804 1.247 1.00 0.00 ? ? ? ? ? ? 26 LEU A HA 20 -ATOM 30821 H HB2 . LEU A 1 29 ? -7.378 4.103 -0.902 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB2 20 -ATOM 30822 H HB3 . LEU A 1 29 ? -5.795 3.771 -0.232 1.00 0.00 ? ? ? ? ? ? 26 LEU A HB3 20 -ATOM 30823 H HG . LEU A 1 29 ? -8.371 3.773 1.370 1.00 0.00 ? ? ? ? ? ? 26 LEU A HG 20 -ATOM 30824 H HD11 . LEU A 1 29 ? -6.673 1.492 0.390 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD11 20 -ATOM 30825 H HD12 . LEU A 1 29 ? -8.271 1.922 -0.208 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD12 20 -ATOM 30826 H HD13 . LEU A 1 29 ? -8.074 1.360 1.452 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD13 20 -ATOM 30827 H HD21 . LEU A 1 29 ? -6.993 2.774 3.125 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD21 20 -ATOM 30828 H HD22 . LEU A 1 29 ? -6.397 4.378 2.706 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD22 20 -ATOM 30829 H HD23 . LEU A 1 29 ? -5.564 2.943 2.112 1.00 0.00 ? ? ? ? ? ? 26 LEU A HD23 20 -ATOM 30830 N N . LYS A 1 30 ? -6.204 6.677 -1.903 1.00 0.00 ? ? ? ? ? ? 27 LYS A N 20 -ATOM 30831 C CA . LYS A 1 30 ? -5.471 7.379 -2.948 1.00 0.00 ? ? ? ? ? ? 27 LYS A CA 20 -ATOM 30832 C C . LYS A 1 30 ? -4.945 8.711 -2.412 1.00 0.00 ? ? ? ? ? ? 27 LYS A C 20 -ATOM 30833 O O . LYS A 1 30 ? -3.812 9.090 -2.679 1.00 0.00 ? ? ? ? ? ? 27 LYS A O 20 -ATOM 30834 C CB . LYS A 1 30 ? -6.388 7.648 -4.137 1.00 0.00 ? ? ? ? ? ? 27 LYS A CB 20 -ATOM 30835 C CG . LYS A 1 30 ? -5.718 8.387 -5.287 1.00 0.00 ? ? ? ? ? ? 27 LYS A CG 20 -ATOM 30836 C CD . LYS A 1 30 ? -6.727 8.870 -6.318 1.00 0.00 ? ? ? ? ? ? 27 LYS A CD 20 -ATOM 30837 C CE . LYS A 1 30 ? -7.627 9.962 -5.741 1.00 0.00 ? ? ? ? ? ? 27 LYS A CE 20 -ATOM 30838 N NZ . LYS A 1 30 ? -8.598 10.463 -6.726 1.00 0.00 ? ? ? ? ? ? 27 LYS A NZ 20 -ATOM 30839 H H . LYS A 1 30 ? -7.140 6.424 -2.075 1.00 0.00 ? ? ? ? ? ? 27 LYS A H 20 -ATOM 30840 H HA . LYS A 1 30 ? -4.644 6.763 -3.269 1.00 0.00 ? ? ? ? ? ? 27 LYS A HA 20 -ATOM 30841 H HB2 . LYS A 1 30 ? -6.758 6.705 -4.510 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB2 20 -ATOM 30842 H HB3 . LYS A 1 30 ? -7.223 8.229 -3.779 1.00 0.00 ? ? ? ? ? ? 27 LYS A HB3 20 -ATOM 30843 H HG2 . LYS A 1 30 ? -5.203 9.244 -4.877 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG2 20 -ATOM 30844 H HG3 . LYS A 1 30 ? -5.006 7.728 -5.762 1.00 0.00 ? ? ? ? ? ? 27 LYS A HG3 20 -ATOM 30845 H HD2 . LYS A 1 30 ? -6.199 9.267 -7.173 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD2 20 -ATOM 30846 H HD3 . LYS A 1 30 ? -7.340 8.035 -6.626 1.00 0.00 ? ? ? ? ? ? 27 LYS A HD3 20 -ATOM 30847 H HE2 . LYS A 1 30 ? -8.169 9.581 -4.890 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE2 20 -ATOM 30848 H HE3 . LYS A 1 30 ? -6.993 10.779 -5.426 1.00 0.00 ? ? ? ? ? ? 27 LYS A HE3 20 -ATOM 30849 H HZ1 . LYS A 1 30 ? -9.207 11.197 -6.313 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ1 20 -ATOM 30850 H HZ2 . LYS A 1 30 ? -9.205 9.712 -7.108 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ2 20 -ATOM 30851 H HZ3 . LYS A 1 30 ? -8.106 10.891 -7.535 1.00 0.00 ? ? ? ? ? ? 27 LYS A HZ3 20 -ATOM 30852 N N . LYS A 1 31 ? -5.794 9.418 -1.667 1.00 0.00 ? ? ? ? ? ? 28 LYS A N 20 -ATOM 30853 C CA . LYS A 1 31 ? -5.412 10.676 -1.026 1.00 0.00 ? ? ? ? ? ? 28 LYS A CA 20 -ATOM 30854 C C . LYS A 1 31 ? -4.245 10.450 -0.081 1.00 0.00 ? ? ? ? ? ? 28 LYS A C 20 -ATOM 30855 O O . LYS A 1 31 ? -3.284 11.222 -0.067 1.00 0.00 ? ? ? ? ? ? 28 LYS A O 20 -ATOM 30856 C CB . LYS A 1 31 ? -6.594 11.296 -0.277 1.00 0.00 ? ? ? ? ? ? 28 LYS A CB 20 -ATOM 30857 C CG . LYS A 1 31 ? -7.739 11.683 -1.169 1.00 0.00 ? ? ? ? ? ? 28 LYS A CG 20 -ATOM 30858 C CD . LYS A 1 31 ? -8.890 12.247 -0.376 1.00 0.00 ? ? ? ? ? ? 28 LYS A CD 20 -ATOM 30859 C CE . LYS A 1 31 ? -10.089 12.495 -1.264 1.00 0.00 ? ? ? ? ? ? 28 LYS A CE 20 -ATOM 30860 N NZ . LYS A 1 31 ? -9.807 13.459 -2.359 1.00 0.00 ? ? ? ? ? ? 28 LYS A NZ 20 -ATOM 30861 H H . LYS A 1 31 ? -6.712 9.079 -1.571 1.00 0.00 ? ? ? ? ? ? 28 LYS A H 20 -ATOM 30862 H HA . LYS A 1 31 ? -5.101 11.349 -1.811 1.00 0.00 ? ? ? ? ? ? 28 LYS A HA 20 -ATOM 30863 H HB2 . LYS A 1 31 ? -6.974 10.583 0.439 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB2 20 -ATOM 30864 H HB3 . LYS A 1 31 ? -6.265 12.181 0.245 1.00 0.00 ? ? ? ? ? ? 28 LYS A HB3 20 -ATOM 30865 H HG2 . LYS A 1 31 ? -7.394 12.439 -1.859 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG2 20 -ATOM 30866 H HG3 . LYS A 1 31 ? -8.073 10.814 -1.716 1.00 0.00 ? ? ? ? ? ? 28 LYS A HG3 20 -ATOM 30867 H HD2 . LYS A 1 31 ? -9.164 11.547 0.400 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD2 20 -ATOM 30868 H HD3 . LYS A 1 31 ? -8.585 13.181 0.072 1.00 0.00 ? ? ? ? ? ? 28 LYS A HD3 20 -ATOM 30869 H HE2 . LYS A 1 31 ? -10.370 11.547 -1.698 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE2 20 -ATOM 30870 H HE3 . LYS A 1 31 ? -10.898 12.865 -0.652 1.00 0.00 ? ? ? ? ? ? 28 LYS A HE3 20 -ATOM 30871 H HZ1 . LYS A 1 31 ? -9.501 14.378 -1.982 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ1 20 -ATOM 30872 H HZ2 . LYS A 1 31 ? -10.662 13.616 -2.930 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ2 20 -ATOM 30873 H HZ3 . LYS A 1 31 ? -9.067 13.100 -2.994 1.00 0.00 ? ? ? ? ? ? 28 LYS A HZ3 20 -ATOM 30874 N N . LYS A 1 32 ? -4.317 9.362 0.672 1.00 0.00 ? ? ? ? ? ? 29 LYS A N 20 -ATOM 30875 C CA . LYS A 1 32 ? -3.251 8.975 1.576 1.00 0.00 ? ? ? ? ? ? 29 LYS A CA 20 -ATOM 30876 C C . LYS A 1 32 ? -1.982 8.640 0.815 1.00 0.00 ? ? ? ? ? ? 29 LYS A C 20 -ATOM 30877 O O . LYS A 1 32 ? -0.893 9.021 1.222 1.00 0.00 ? ? ? ? ? ? 29 LYS A O 20 -ATOM 30878 C CB . LYS A 1 32 ? -3.666 7.800 2.460 1.00 0.00 ? ? ? ? ? ? 29 LYS A CB 20 -ATOM 30879 C CG . LYS A 1 32 ? -4.787 8.111 3.436 1.00 0.00 ? ? ? ? ? ? 29 LYS A CG 20 -ATOM 30880 C CD . LYS A 1 32 ? -4.397 9.257 4.343 1.00 0.00 ? ? ? ? ? ? 29 LYS A CD 20 -ATOM 30881 C CE . LYS A 1 32 ? -5.411 9.485 5.433 1.00 0.00 ? ? ? ? ? ? 29 LYS A CE 20 -ATOM 30882 N NZ . LYS A 1 32 ? -5.038 10.643 6.271 1.00 0.00 ? ? ? ? ? ? 29 LYS A NZ 20 -ATOM 30883 H H . LYS A 1 32 ? -5.128 8.810 0.618 1.00 0.00 ? ? ? ? ? ? 29 LYS A H 20 -ATOM 30884 H HA . LYS A 1 32 ? -3.031 9.818 2.209 1.00 0.00 ? ? ? ? ? ? 29 LYS A HA 20 -ATOM 30885 H HB2 . LYS A 1 32 ? -3.983 6.980 1.833 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB2 20 -ATOM 30886 H HB3 . LYS A 1 32 ? -2.804 7.495 3.032 1.00 0.00 ? ? ? ? ? ? 29 LYS A HB3 20 -ATOM 30887 H HG2 . LYS A 1 32 ? -5.672 8.384 2.880 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG2 20 -ATOM 30888 H HG3 . LYS A 1 32 ? -4.988 7.236 4.036 1.00 0.00 ? ? ? ? ? ? 29 LYS A HG3 20 -ATOM 30889 H HD2 . LYS A 1 32 ? -3.443 9.029 4.794 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD2 20 -ATOM 30890 H HD3 . LYS A 1 32 ? -4.307 10.159 3.754 1.00 0.00 ? ? ? ? ? ? 29 LYS A HD3 20 -ATOM 30891 H HE2 . LYS A 1 32 ? -6.381 9.652 4.991 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE2 20 -ATOM 30892 H HE3 . LYS A 1 32 ? -5.440 8.599 6.049 1.00 0.00 ? ? ? ? ? ? 29 LYS A HE3 20 -ATOM 30893 H HZ1 . LYS A 1 32 ? -4.093 10.518 6.682 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ1 20 -ATOM 30894 H HZ2 . LYS A 1 32 ? -5.724 10.783 7.040 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ2 20 -ATOM 30895 H HZ3 . LYS A 1 32 ? -5.031 11.509 5.697 1.00 0.00 ? ? ? ? ? ? 29 LYS A HZ3 20 -ATOM 30896 N N . LEU A 1 33 ? -2.136 7.953 -0.290 1.00 0.00 ? ? ? ? ? ? 30 LEU A N 20 -ATOM 30897 C CA . LEU A 1 33 ? -1.022 7.592 -1.131 1.00 0.00 ? ? ? ? ? ? 30 LEU A CA 20 -ATOM 30898 C C . LEU A 1 33 ? -0.363 8.824 -1.715 1.00 0.00 ? ? ? ? ? ? 30 LEU A C 20 -ATOM 30899 O O . LEU A 1 33 ? 0.845 8.979 -1.637 1.00 0.00 ? ? ? ? ? ? 30 LEU A O 20 -ATOM 30900 C CB . LEU A 1 33 ? -1.469 6.657 -2.259 1.00 0.00 ? ? ? ? ? ? 30 LEU A CB 20 -ATOM 30901 C CG . LEU A 1 33 ? -2.071 5.324 -1.821 1.00 0.00 ? ? ? ? ? ? 30 LEU A CG 20 -ATOM 30902 C CD1 . LEU A 1 33 ? -2.502 4.508 -3.023 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD1 20 -ATOM 30903 C CD2 . LEU A 1 33 ? -1.092 4.551 -0.954 1.00 0.00 ? ? ? ? ? ? 30 LEU A CD2 20 -ATOM 30904 H H . LEU A 1 33 ? -3.041 7.652 -0.532 1.00 0.00 ? ? ? ? ? ? 30 LEU A H 20 -ATOM 30905 H HA . LEU A 1 33 ? -0.303 7.069 -0.519 1.00 0.00 ? ? ? ? ? ? 30 LEU A HA 20 -ATOM 30906 H HB2 . LEU A 1 33 ? -2.202 7.181 -2.854 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB2 20 -ATOM 30907 H HB3 . LEU A 1 33 ? -0.608 6.450 -2.880 1.00 0.00 ? ? ? ? ? ? 30 LEU A HB3 20 -ATOM 30908 H HG . LEU A 1 33 ? -2.954 5.527 -1.235 1.00 0.00 ? ? ? ? ? ? 30 LEU A HG 20 -ATOM 30909 H HD11 . LEU A 1 33 ? -3.261 5.048 -3.567 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD11 20 -ATOM 30910 H HD12 . LEU A 1 33 ? -2.893 3.557 -2.694 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD12 20 -ATOM 30911 H HD13 . LEU A 1 33 ? -1.649 4.349 -3.664 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD13 20 -ATOM 30912 H HD21 . LEU A 1 33 ? -1.520 3.596 -0.689 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD21 20 -ATOM 30913 H HD22 . LEU A 1 33 ? -0.915 5.123 -0.055 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD22 20 -ATOM 30914 H HD23 . LEU A 1 33 ? -0.159 4.408 -1.477 1.00 0.00 ? ? ? ? ? ? 30 LEU A HD23 20 -ATOM 30915 N N . VAL A 1 34 ? -1.164 9.729 -2.244 1.00 0.00 ? ? ? ? ? ? 31 VAL A N 20 -ATOM 30916 C CA . VAL A 1 34 ? -0.630 10.911 -2.883 1.00 0.00 ? ? ? ? ? ? 31 VAL A CA 20 -ATOM 30917 C C . VAL A 1 34 ? 0.058 11.846 -1.864 1.00 0.00 ? ? ? ? ? ? 31 VAL A C 20 -ATOM 30918 O O . VAL A 1 34 ? 1.086 12.466 -2.184 1.00 0.00 ? ? ? ? ? ? 31 VAL A O 20 -ATOM 30919 C CB . VAL A 1 34 ? -1.690 11.660 -3.770 1.00 0.00 ? ? ? ? ? ? 31 VAL A CB 20 -ATOM 30920 C CG1 . VAL A 1 34 ? -2.763 12.355 -2.959 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG1 20 -ATOM 30921 C CG2 . VAL A 1 34 ? -1.034 12.620 -4.740 1.00 0.00 ? ? ? ? ? ? 31 VAL A CG2 20 -ATOM 30922 H H . VAL A 1 34 ? -2.136 9.578 -2.213 1.00 0.00 ? ? ? ? ? ? 31 VAL A H 20 -ATOM 30923 H HA . VAL A 1 34 ? 0.158 10.546 -3.526 1.00 0.00 ? ? ? ? ? ? 31 VAL A HA 20 -ATOM 30924 H HB . VAL A 1 34 ? -2.193 10.901 -4.353 1.00 0.00 ? ? ? ? ? ? 31 VAL A HB 20 -ATOM 30925 H HG11 . VAL A 1 34 ? -2.313 13.126 -2.351 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG11 20 -ATOM 30926 H HG12 . VAL A 1 34 ? -3.227 11.627 -2.312 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG12 20 -ATOM 30927 H HG13 . VAL A 1 34 ? -3.500 12.790 -3.618 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG13 20 -ATOM 30928 H HG21 . VAL A 1 34 ? -0.489 13.377 -4.192 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG21 20 -ATOM 30929 H HG22 . VAL A 1 34 ? -1.804 13.081 -5.340 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG22 20 -ATOM 30930 H HG23 . VAL A 1 34 ? -0.358 12.075 -5.381 1.00 0.00 ? ? ? ? ? ? 31 VAL A HG23 20 -ATOM 30931 N N . GLU A 1 35 ? -0.490 11.947 -0.639 1.00 0.00 ? ? ? ? ? ? 32 GLU A N 20 -ATOM 30932 C CA . GLU A 1 35 ? 0.176 12.730 0.385 1.00 0.00 ? ? ? ? ? ? 32 GLU A CA 20 -ATOM 30933 C C . GLU A 1 35 ? 1.471 12.047 0.839 1.00 0.00 ? ? ? ? ? ? 32 GLU A C 20 -ATOM 30934 O O . GLU A 1 35 ? 2.526 12.673 0.861 1.00 0.00 ? ? ? ? ? ? 32 GLU A O 20 -ATOM 30935 C CB . GLU A 1 35 ? -0.733 13.090 1.589 1.00 0.00 ? ? ? ? ? ? 32 GLU A CB 20 -ATOM 30936 C CG . GLU A 1 35 ? -1.293 11.909 2.362 1.00 0.00 ? ? ? ? ? ? 32 GLU A CG 20 -ATOM 30937 C CD . GLU A 1 35 ? -2.036 12.311 3.613 1.00 0.00 ? ? ? ? ? ? 32 GLU A CD 20 -ATOM 30938 O OE1 . GLU A 1 35 ? -3.166 12.831 3.516 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE1 20 -ATOM 30939 O OE2 . GLU A 1 35 ? -1.504 12.100 4.730 1.00 0.00 ? ? ? ? ? ? 32 GLU A OE2 20 -ATOM 30940 H H . GLU A 1 35 ? -1.340 11.498 -0.432 1.00 0.00 ? ? ? ? ? ? 32 GLU A H 20 -ATOM 30941 H HA . GLU A 1 35 ? 0.472 13.641 -0.115 1.00 0.00 ? ? ? ? ? ? 32 GLU A HA 20 -ATOM 30942 H HB2 . GLU A 1 35 ? -0.176 13.706 2.279 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB2 20 -ATOM 30943 H HB3 . GLU A 1 35 ? -1.565 13.663 1.205 1.00 0.00 ? ? ? ? ? ? 32 GLU A HB3 20 -ATOM 30944 H HG2 . GLU A 1 35 ? -1.975 11.389 1.708 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG2 20 -ATOM 30945 H HG3 . GLU A 1 35 ? -0.480 11.251 2.629 1.00 0.00 ? ? ? ? ? ? 32 GLU A HG3 20 -ATOM 30946 N N . VAL A 1 36 ? 1.395 10.738 1.083 1.00 0.00 ? ? ? ? ? ? 33 VAL A N 20 -ATOM 30947 C CA . VAL A 1 36 ? 2.501 9.962 1.626 1.00 0.00 ? ? ? ? ? ? 33 VAL A CA 20 -ATOM 30948 C C . VAL A 1 36 ? 3.722 9.952 0.694 1.00 0.00 ? ? ? ? ? ? 33 VAL A C 20 -ATOM 30949 O O . VAL A 1 36 ? 4.831 9.872 1.156 1.00 0.00 ? ? ? ? ? ? 33 VAL A O 20 -ATOM 30950 C CB . VAL A 1 36 ? 2.100 8.511 2.064 1.00 0.00 ? ? ? ? ? ? 33 VAL A CB 20 -ATOM 30951 C CG1 . VAL A 1 36 ? 2.061 7.524 0.905 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG1 20 -ATOM 30952 C CG2 . VAL A 1 36 ? 2.986 8.017 3.194 1.00 0.00 ? ? ? ? ? ? 33 VAL A CG2 20 -ATOM 30953 H H . VAL A 1 36 ? 0.550 10.263 0.906 1.00 0.00 ? ? ? ? ? ? 33 VAL A H 20 -ATOM 30954 H HA . VAL A 1 36 ? 2.811 10.507 2.509 1.00 0.00 ? ? ? ? ? ? 33 VAL A HA 20 -ATOM 30955 H HB . VAL A 1 36 ? 1.091 8.574 2.442 1.00 0.00 ? ? ? ? ? ? 33 VAL A HB 20 -ATOM 30956 H HG11 . VAL A 1 36 ? 3.051 7.438 0.480 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG11 20 -ATOM 30957 H HG12 . VAL A 1 36 ? 1.390 7.897 0.148 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG12 20 -ATOM 30958 H HG13 . VAL A 1 36 ? 1.728 6.557 1.250 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG13 20 -ATOM 30959 H HG21 . VAL A 1 36 ? 2.846 8.636 4.067 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG21 20 -ATOM 30960 H HG22 . VAL A 1 36 ? 4.013 8.094 2.874 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG22 20 -ATOM 30961 H HG23 . VAL A 1 36 ? 2.746 6.989 3.426 1.00 0.00 ? ? ? ? ? ? 33 VAL A HG23 20 -ATOM 30962 N N . LEU A 1 37 ? 3.491 10.059 -0.618 1.00 0.00 ? ? ? ? ? ? 34 LEU A N 20 -ATOM 30963 C CA . LEU A 1 37 ? 4.561 10.021 -1.642 1.00 0.00 ? ? ? ? ? ? 34 LEU A CA 20 -ATOM 30964 C C . LEU A 1 37 ? 5.688 11.036 -1.386 1.00 0.00 ? ? ? ? ? ? 34 LEU A C 20 -ATOM 30965 O O . LEU A 1 37 ? 6.803 10.839 -1.865 1.00 0.00 ? ? ? ? ? ? 34 LEU A O 20 -ATOM 30966 C CB . LEU A 1 37 ? 3.999 10.241 -3.058 1.00 0.00 ? ? ? ? ? ? 34 LEU A CB 20 -ATOM 30967 C CG . LEU A 1 37 ? 3.067 9.158 -3.609 1.00 0.00 ? ? ? ? ? ? 34 LEU A CG 20 -ATOM 30968 C CD1 . LEU A 1 37 ? 2.558 9.545 -4.987 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD1 20 -ATOM 30969 C CD2 . LEU A 1 37 ? 3.771 7.809 -3.661 1.00 0.00 ? ? ? ? ? ? 34 LEU A CD2 20 -ATOM 30970 H H . LEU A 1 37 ? 2.559 10.137 -0.914 1.00 0.00 ? ? ? ? ? ? 34 LEU A H 20 -ATOM 30971 H HA . LEU A 1 37 ? 4.996 9.035 -1.605 1.00 0.00 ? ? ? ? ? ? 34 LEU A HA 20 -ATOM 30972 H HB2 . LEU A 1 37 ? 3.459 11.175 -3.058 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB2 20 -ATOM 30973 H HB3 . LEU A 1 37 ? 4.837 10.338 -3.733 1.00 0.00 ? ? ? ? ? ? 34 LEU A HB3 20 -ATOM 30974 H HG . LEU A 1 37 ? 2.211 9.071 -2.956 1.00 0.00 ? ? ? ? ? ? 34 LEU A HG 20 -ATOM 30975 H HD11 . LEU A 1 37 ? 2.023 10.480 -4.928 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD11 20 -ATOM 30976 H HD12 . LEU A 1 37 ? 1.895 8.775 -5.357 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD12 20 -ATOM 30977 H HD13 . LEU A 1 37 ? 3.393 9.651 -5.664 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD13 20 -ATOM 30978 H HD21 . LEU A 1 37 ? 3.104 7.073 -4.083 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD21 20 -ATOM 30979 H HD22 . LEU A 1 37 ? 4.042 7.503 -2.661 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD22 20 -ATOM 30980 H HD23 . LEU A 1 37 ? 4.659 7.882 -4.270 1.00 0.00 ? ? ? ? ? ? 34 LEU A HD23 20 -ATOM 30981 N N . GLU A 1 38 ? 5.404 12.124 -0.669 1.00 0.00 ? ? ? ? ? ? 35 GLU A N 20 -ATOM 30982 C CA . GLU A 1 38 ? 6.449 13.103 -0.349 1.00 0.00 ? ? ? ? ? ? 35 GLU A CA 20 -ATOM 30983 C C . GLU A 1 38 ? 7.479 12.512 0.628 1.00 0.00 ? ? ? ? ? ? 35 GLU A C 20 -ATOM 30984 O O . GLU A 1 38 ? 8.660 12.869 0.603 1.00 0.00 ? ? ? ? ? ? 35 GLU A O 20 -ATOM 30985 C CB . GLU A 1 38 ? 5.854 14.379 0.252 1.00 0.00 ? ? ? ? ? ? 35 GLU A CB 20 -ATOM 30986 C CG . GLU A 1 38 ? 5.069 14.151 1.528 1.00 0.00 ? ? ? ? ? ? 35 GLU A CG 20 -ATOM 30987 C CD . GLU A 1 38 ? 4.539 15.411 2.120 1.00 0.00 ? ? ? ? ? ? 35 GLU A CD 20 -ATOM 30988 O OE1 . GLU A 1 38 ? 3.846 16.174 1.414 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE1 20 -ATOM 30989 O OE2 . GLU A 1 38 ? 4.807 15.683 3.304 1.00 0.00 ? ? ? ? ? ? 35 GLU A OE2 20 -ATOM 30990 H H . GLU A 1 38 ? 4.490 12.256 -0.335 1.00 0.00 ? ? ? ? ? ? 35 GLU A H 20 -ATOM 30991 H HA . GLU A 1 38 ? 6.952 13.350 -1.271 1.00 0.00 ? ? ? ? ? ? 35 GLU A HA 20 -ATOM 30992 H HB2 . GLU A 1 38 ? 6.656 15.067 0.472 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB2 20 -ATOM 30993 H HB3 . GLU A 1 38 ? 5.196 14.831 -0.477 1.00 0.00 ? ? ? ? ? ? 35 GLU A HB3 20 -ATOM 30994 H HG2 . GLU A 1 38 ? 4.236 13.499 1.314 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG2 20 -ATOM 30995 H HG3 . GLU A 1 38 ? 5.717 13.675 2.250 1.00 0.00 ? ? ? ? ? ? 35 GLU A HG3 20 -ATOM 30996 N N . SER A 1 39 ? 7.023 11.621 1.484 1.00 0.00 ? ? ? ? ? ? 36 SER A N 20 -ATOM 30997 C CA . SER A 1 39 ? 7.849 10.983 2.481 1.00 0.00 ? ? ? ? ? ? 36 SER A CA 20 -ATOM 30998 C C . SER A 1 39 ? 7.217 9.662 2.918 1.00 0.00 ? ? ? ? ? ? 36 SER A C 20 -ATOM 30999 O O . SER A 1 39 ? 6.566 9.597 3.933 1.00 0.00 ? ? ? ? ? ? 36 SER A O 20 -ATOM 31000 C CB . SER A 1 39 ? 8.062 11.900 3.705 1.00 0.00 ? ? ? ? ? ? 36 SER A CB 20 -ATOM 31001 O OG . SER A 1 39 ? 8.738 13.107 3.342 1.00 0.00 ? ? ? ? ? ? 36 SER A OG 20 -ATOM 31002 H H . SER A 1 39 ? 6.082 11.337 1.432 1.00 0.00 ? ? ? ? ? ? 36 SER A H 20 -ATOM 31003 H HA . SER A 1 39 ? 8.808 10.769 2.035 1.00 0.00 ? ? ? ? ? ? 36 SER A HA 20 -ATOM 31004 H HB2 . SER A 1 39 ? 7.101 12.154 4.129 1.00 0.00 ? ? ? ? ? ? 36 SER A HB2 20 -ATOM 31005 H HB3 . SER A 1 39 ? 8.650 11.376 4.443 1.00 0.00 ? ? ? ? ? ? 36 SER A HB3 20 -ATOM 31006 H HG . SER A 1 39 ? 8.817 13.090 2.375 1.00 0.00 ? ? ? ? ? ? 36 SER A HG 20 -ATOM 31007 N N . PRO A 1 40 ? 7.337 8.598 2.110 1.00 0.00 ? ? ? ? ? ? 37 PRO A N 20 -ATOM 31008 C CA . PRO A 1 40 ? 6.766 7.298 2.459 1.00 0.00 ? ? ? ? ? ? 37 PRO A CA 20 -ATOM 31009 C C . PRO A 1 40 ? 7.654 6.523 3.424 1.00 0.00 ? ? ? ? ? ? 37 PRO A C 20 -ATOM 31010 O O . PRO A 1 40 ? 7.315 5.447 3.862 1.00 0.00 ? ? ? ? ? ? 37 PRO A O 20 -ATOM 31011 C CB . PRO A 1 40 ? 6.670 6.587 1.113 1.00 0.00 ? ? ? ? ? ? 37 PRO A CB 20 -ATOM 31012 C CG . PRO A 1 40 ? 7.798 7.149 0.320 1.00 0.00 ? ? ? ? ? ? 37 PRO A CG 20 -ATOM 31013 C CD . PRO A 1 40 ? 7.951 8.583 0.765 1.00 0.00 ? ? ? ? ? ? 37 PRO A CD 20 -ATOM 31014 H HA . PRO A 1 40 ? 5.786 7.394 2.899 1.00 0.00 ? ? ? ? ? ? 37 PRO A HA 20 -ATOM 31015 H HB2 . PRO A 1 40 ? 6.768 5.521 1.255 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB2 20 -ATOM 31016 H HB3 . PRO A 1 40 ? 5.718 6.807 0.652 1.00 0.00 ? ? ? ? ? ? 37 PRO A HB3 20 -ATOM 31017 H HG2 . PRO A 1 40 ? 8.702 6.596 0.528 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG2 20 -ATOM 31018 H HG3 . PRO A 1 40 ? 7.568 7.106 -0.735 1.00 0.00 ? ? ? ? ? ? 37 PRO A HG3 20 -ATOM 31019 H HD2 . PRO A 1 40 ? 8.993 8.865 0.808 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD2 20 -ATOM 31020 H HD3 . PRO A 1 40 ? 7.404 9.233 0.096 1.00 0.00 ? ? ? ? ? ? 37 PRO A HD3 20 -ATOM 31021 N N . ARG A 1 41 ? 8.765 7.119 3.784 1.00 0.00 ? ? ? ? ? ? 38 ARG A N 20 -ATOM 31022 C CA . ARG A 1 41 ? 9.746 6.495 4.658 1.00 0.00 ? ? ? ? ? ? 38 ARG A CA 20 -ATOM 31023 C C . ARG A 1 41 ? 9.447 6.739 6.150 1.00 0.00 ? ? ? ? ? ? 38 ARG A C 20 -ATOM 31024 O O . ARG A 1 41 ? 10.342 6.651 6.996 1.00 0.00 ? ? ? ? ? ? 38 ARG A O 20 -ATOM 31025 C CB . ARG A 1 41 ? 11.175 6.936 4.249 1.00 0.00 ? ? ? ? ? ? 38 ARG A CB 20 -ATOM 31026 C CG . ARG A 1 41 ? 11.417 8.455 4.100 1.00 0.00 ? ? ? ? ? ? 38 ARG A CG 20 -ATOM 31027 C CD . ARG A 1 41 ? 11.414 9.209 5.427 1.00 0.00 ? ? ? ? ? ? 38 ARG A CD 20 -ATOM 31028 N NE . ARG A 1 41 ? 12.449 8.721 6.355 1.00 0.00 ? ? ? ? ? ? 38 ARG A NE 20 -ATOM 31029 C CZ . ARG A 1 41 ? 12.782 9.305 7.513 1.00 0.00 ? ? ? ? ? ? 38 ARG A CZ 20 -ATOM 31030 N NH1 . ARG A 1 41 ? 12.200 10.434 7.886 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH1 20 -ATOM 31031 N NH2 . ARG A 1 41 ? 13.701 8.756 8.286 1.00 0.00 ? ? ? ? ? ? 38 ARG A NH2 20 -ATOM 31032 H H . ARG A 1 41 ? 8.906 8.025 3.442 1.00 0.00 ? ? ? ? ? ? 38 ARG A H 20 -ATOM 31033 H HA . ARG A 1 41 ? 9.664 5.432 4.489 1.00 0.00 ? ? ? ? ? ? 38 ARG A HA 20 -ATOM 31034 H HB2 . ARG A 1 41 ? 11.859 6.577 5.002 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB2 20 -ATOM 31035 H HB3 . ARG A 1 41 ? 11.422 6.459 3.312 1.00 0.00 ? ? ? ? ? ? 38 ARG A HB3 20 -ATOM 31036 H HG2 . ARG A 1 41 ? 12.368 8.614 3.617 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG2 20 -ATOM 31037 H HG3 . ARG A 1 41 ? 10.641 8.858 3.467 1.00 0.00 ? ? ? ? ? ? 38 ARG A HG3 20 -ATOM 31038 H HD2 . ARG A 1 41 ? 11.582 10.256 5.233 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD2 20 -ATOM 31039 H HD3 . ARG A 1 41 ? 10.445 9.078 5.887 1.00 0.00 ? ? ? ? ? ? 38 ARG A HD3 20 -ATOM 31040 H HE . ARG A 1 41 ? 12.904 7.892 6.087 1.00 0.00 ? ? ? ? ? ? 38 ARG A HE 20 -ATOM 31041 H HH11 . ARG A 1 41 ? 11.496 10.870 7.321 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH11 20 -ATOM 31042 H HH12 . ARG A 1 41 ? 12.445 10.922 8.726 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH12 20 -ATOM 31043 H HH21 . ARG A 1 41 ? 14.171 7.902 8.040 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH21 20 -ATOM 31044 H HH22 . ARG A 1 41 ? 13.978 9.163 9.160 1.00 0.00 ? ? ? ? ? ? 38 ARG A HH22 20 -ATOM 31045 N N . ILE A 1 42 ? 8.181 6.929 6.461 1.00 0.00 ? ? ? ? ? ? 39 ILE A N 20 -ATOM 31046 C CA . ILE A 1 42 ? 7.753 7.247 7.818 1.00 0.00 ? ? ? ? ? ? 39 ILE A CA 20 -ATOM 31047 C C . ILE A 1 42 ? 7.661 5.959 8.624 1.00 0.00 ? ? ? ? ? ? 39 ILE A C 20 -ATOM 31048 O O . ILE A 1 42 ? 6.712 5.174 8.478 1.00 0.00 ? ? ? ? ? ? 39 ILE A O 20 -ATOM 31049 C CB . ILE A 1 42 ? 6.371 7.983 7.817 1.00 0.00 ? ? ? ? ? ? 39 ILE A CB 20 -ATOM 31050 C CG1 . ILE A 1 42 ? 6.483 9.295 7.037 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG1 20 -ATOM 31051 C CG2 . ILE A 1 42 ? 5.878 8.251 9.244 1.00 0.00 ? ? ? ? ? ? 39 ILE A CG2 20 -ATOM 31052 C CD1 . ILE A 1 42 ? 5.172 10.037 6.861 1.00 0.00 ? ? ? ? ? ? 39 ILE A CD1 20 -ATOM 31053 H H . ILE A 1 42 ? 7.516 6.804 5.752 1.00 0.00 ? ? ? ? ? ? 39 ILE A H 20 -ATOM 31054 H HA . ILE A 1 42 ? 8.498 7.889 8.263 1.00 0.00 ? ? ? ? ? ? 39 ILE A HA 20 -ATOM 31055 H HB . ILE A 1 42 ? 5.652 7.347 7.324 1.00 0.00 ? ? ? ? ? ? 39 ILE A HB 20 -ATOM 31056 H HG12 . ILE A 1 42 ? 7.154 9.955 7.567 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG12 20 -ATOM 31057 H HG13 . ILE A 1 42 ? 6.887 9.091 6.056 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG13 20 -ATOM 31058 H HG21 . ILE A 1 42 ? 6.580 8.896 9.749 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG21 20 -ATOM 31059 H HG22 . ILE A 1 42 ? 5.801 7.316 9.777 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG22 20 -ATOM 31060 H HG23 . ILE A 1 42 ? 4.909 8.729 9.207 1.00 0.00 ? ? ? ? ? ? 39 ILE A HG23 20 -ATOM 31061 H HD11 . ILE A 1 42 ? 4.767 10.297 7.827 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD11 20 -ATOM 31062 H HD12 . ILE A 1 42 ? 4.477 9.404 6.330 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD12 20 -ATOM 31063 H HD13 . ILE A 1 42 ? 5.354 10.933 6.286 1.00 0.00 ? ? ? ? ? ? 39 ILE A HD13 20 -ATOM 31064 N N . GLU A 1 43 ? 8.656 5.750 9.469 1.00 0.00 ? ? ? ? ? ? 40 GLU A N 20 -ATOM 31065 C CA . GLU A 1 43 ? 8.793 4.528 10.231 1.00 0.00 ? ? ? ? ? ? 40 GLU A CA 20 -ATOM 31066 C C . GLU A 1 43 ? 7.687 4.311 11.260 1.00 0.00 ? ? ? ? ? ? 40 GLU A C 20 -ATOM 31067 O O . GLU A 1 43 ? 7.497 3.202 11.742 1.00 0.00 ? ? ? ? ? ? 40 GLU A O 20 -ATOM 31068 C CB . GLU A 1 43 ? 10.192 4.344 10.823 1.00 0.00 ? ? ? ? ? ? 40 GLU A CB 20 -ATOM 31069 C CG . GLU A 1 43 ? 10.664 5.433 11.752 1.00 0.00 ? ? ? ? ? ? 40 GLU A CG 20 -ATOM 31070 C CD . GLU A 1 43 ? 12.040 5.144 12.272 1.00 0.00 ? ? ? ? ? ? 40 GLU A CD 20 -ATOM 31071 O OE1 . GLU A 1 43 ? 13.026 5.484 11.592 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE1 20 -ATOM 31072 O OE2 . GLU A 1 43 ? 12.174 4.560 13.369 1.00 0.00 ? ? ? ? ? ? 40 GLU A OE2 20 -ATOM 31073 H H . GLU A 1 43 ? 9.318 6.462 9.591 1.00 0.00 ? ? ? ? ? ? 40 GLU A H 20 -ATOM 31074 H HA . GLU A 1 43 ? 8.651 3.759 9.486 1.00 0.00 ? ? ? ? ? ? 40 GLU A HA 20 -ATOM 31075 H HB2 . GLU A 1 43 ? 10.210 3.418 11.376 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB2 20 -ATOM 31076 H HB3 . GLU A 1 43 ? 10.896 4.273 10.007 1.00 0.00 ? ? ? ? ? ? 40 GLU A HB3 20 -ATOM 31077 H HG2 . GLU A 1 43 ? 10.683 6.370 11.215 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG2 20 -ATOM 31078 H HG3 . GLU A 1 43 ? 9.982 5.506 12.588 1.00 0.00 ? ? ? ? ? ? 40 GLU A HG3 20 -ATOM 31079 N N . ALA A 1 44 ? 6.939 5.351 11.573 1.00 0.00 ? ? ? ? ? ? 41 ALA A N 20 -ATOM 31080 C CA . ALA A 1 44 ? 5.798 5.220 12.472 1.00 0.00 ? ? ? ? ? ? 41 ALA A CA 20 -ATOM 31081 C C . ALA A 1 44 ? 4.725 4.318 11.833 1.00 0.00 ? ? ? ? ? ? 41 ALA A C 20 -ATOM 31082 O O . ALA A 1 44 ? 3.964 3.637 12.528 1.00 0.00 ? ? ? ? ? ? 41 ALA A O 20 -ATOM 31083 C CB . ALA A 1 44 ? 5.220 6.589 12.802 1.00 0.00 ? ? ? ? ? ? 41 ALA A CB 20 -ATOM 31084 H H . ALA A 1 44 ? 7.188 6.232 11.215 1.00 0.00 ? ? ? ? ? ? 41 ALA A H 20 -ATOM 31085 H HA . ALA A 1 44 ? 6.149 4.754 13.382 1.00 0.00 ? ? ? ? ? ? 41 ALA A HA 20 -ATOM 31086 H HB1 . ALA A 1 44 ? 5.988 7.206 13.245 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB1 20 -ATOM 31087 H HB2 . ALA A 1 44 ? 4.401 6.477 13.497 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB2 20 -ATOM 31088 H HB3 . ALA A 1 44 ? 4.861 7.057 11.897 1.00 0.00 ? ? ? ? ? ? 41 ALA A HB3 20 -ATOM 31089 N N . ASN A 1 45 ? 4.716 4.274 10.509 1.00 0.00 ? ? ? ? ? ? 42 ASN A N 20 -ATOM 31090 C CA . ASN A 1 45 ? 3.769 3.443 9.759 1.00 0.00 ? ? ? ? ? ? 42 ASN A CA 20 -ATOM 31091 C C . ASN A 1 45 ? 4.452 2.198 9.219 1.00 0.00 ? ? ? ? ? ? 42 ASN A C 20 -ATOM 31092 O O . ASN A 1 45 ? 3.859 1.427 8.466 1.00 0.00 ? ? ? ? ? ? 42 ASN A O 20 -ATOM 31093 C CB . ASN A 1 45 ? 3.121 4.233 8.601 1.00 0.00 ? ? ? ? ? ? 42 ASN A CB 20 -ATOM 31094 C CG . ASN A 1 45 ? 2.164 5.315 9.070 1.00 0.00 ? ? ? ? ? ? 42 ASN A CG 20 -ATOM 31095 O OD1 . ASN A 1 45 ? 1.508 5.179 10.109 1.00 0.00 ? ? ? ? ? ? 42 ASN A OD1 20 -ATOM 31096 N ND2 . ASN A 1 45 ? 2.069 6.393 8.323 1.00 0.00 ? ? ? ? ? ? 42 ASN A ND2 20 -ATOM 31097 H H . ASN A 1 45 ? 5.375 4.805 10.008 1.00 0.00 ? ? ? ? ? ? 42 ASN A H 20 -ATOM 31098 H HA . ASN A 1 45 ? 2.994 3.136 10.446 1.00 0.00 ? ? ? ? ? ? 42 ASN A HA 20 -ATOM 31099 H HB2 . ASN A 1 45 ? 3.902 4.704 8.021 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB2 20 -ATOM 31100 H HB3 . ASN A 1 45 ? 2.580 3.544 7.968 1.00 0.00 ? ? ? ? ? ? 42 ASN A HB3 20 -ATOM 31101 H HD21 . ASN A 1 45 ? 2.612 6.444 7.508 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD21 20 -ATOM 31102 H HD22 . ASN A 1 45 ? 1.469 7.120 8.601 1.00 0.00 ? ? ? ? ? ? 42 ASN A HD22 20 -ATOM 31103 N N . LYS A 1 46 ? 5.681 1.987 9.646 1.00 0.00 ? ? ? ? ? ? 43 LYS A N 20 -ATOM 31104 C CA . LYS A 1 46 ? 6.503 0.873 9.197 1.00 0.00 ? ? ? ? ? ? 43 LYS A CA 20 -ATOM 31105 C C . LYS A 1 46 ? 6.044 -0.440 9.754 1.00 0.00 ? ? ? ? ? ? 43 LYS A C 20 -ATOM 31106 O O . LYS A 1 46 ? 5.440 -0.509 10.835 1.00 0.00 ? ? ? ? ? ? 43 LYS A O 20 -ATOM 31107 C CB . LYS A 1 46 ? 7.961 1.063 9.567 1.00 0.00 ? ? ? ? ? ? 43 LYS A CB 20 -ATOM 31108 C CG . LYS A 1 46 ? 8.893 1.080 8.385 1.00 0.00 ? ? ? ? ? ? 43 LYS A CG 20 -ATOM 31109 C CD . LYS A 1 46 ? 10.322 1.367 8.800 1.00 0.00 ? ? ? ? ? ? 43 LYS A CD 20 -ATOM 31110 C CE . LYS A 1 46 ? 11.222 1.519 7.587 1.00 0.00 ? ? ? ? ? ? 43 LYS A CE 20 -ATOM 31111 N NZ . LYS A 1 46 ? 11.622 0.246 6.985 1.00 0.00 ? ? ? ? ? ? 43 LYS A NZ 20 -ATOM 31112 H H . LYS A 1 46 ? 6.061 2.599 10.312 1.00 0.00 ? ? ? ? ? ? 43 LYS A H 20 -ATOM 31113 H HA . LYS A 1 46 ? 6.438 0.834 8.120 1.00 0.00 ? ? ? ? ? ? 43 LYS A HA 20 -ATOM 31114 H HB2 . LYS A 1 46 ? 8.073 1.980 10.123 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB2 20 -ATOM 31115 H HB3 . LYS A 1 46 ? 8.244 0.236 10.202 1.00 0.00 ? ? ? ? ? ? 43 LYS A HB3 20 -ATOM 31116 H HG2 . LYS A 1 46 ? 8.837 0.131 7.879 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG2 20 -ATOM 31117 H HG3 . LYS A 1 46 ? 8.560 1.856 7.713 1.00 0.00 ? ? ? ? ? ? 43 LYS A HG3 20 -ATOM 31118 H HD2 . LYS A 1 46 ? 10.349 2.278 9.378 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD2 20 -ATOM 31119 H HD3 . LYS A 1 46 ? 10.680 0.545 9.402 1.00 0.00 ? ? ? ? ? ? 43 LYS A HD3 20 -ATOM 31120 H HE2 . LYS A 1 46 ? 10.619 2.005 6.837 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE2 20 -ATOM 31121 H HE3 . LYS A 1 46 ? 12.095 2.103 7.829 1.00 0.00 ? ? ? ? ? ? 43 LYS A HE3 20 -ATOM 31122 H HZ1 . LYS A 1 46 ? 12.107 0.450 6.079 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ1 20 -ATOM 31123 H HZ2 . LYS A 1 46 ? 10.810 -0.384 6.841 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ2 20 -ATOM 31124 H HZ3 . LYS A 1 46 ? 12.311 -0.223 7.610 1.00 0.00 ? ? ? ? ? ? 43 LYS A HZ3 20 -ATOM 31125 N N . LEU A 1 47 ? 6.245 -1.455 8.981 1.00 0.00 ? ? ? ? ? ? 44 LEU A N 20 -ATOM 31126 C CA . LEU A 1 47 ? 6.030 -2.797 9.432 1.00 0.00 ? ? ? ? ? ? 44 LEU A CA 20 -ATOM 31127 C C . LEU A 1 47 ? 7.334 -3.316 9.991 1.00 0.00 ? ? ? ? ? ? 44 LEU A C 20 -ATOM 31128 O O . LEU A 1 47 ? 8.376 -3.241 9.326 1.00 0.00 ? ? ? ? ? ? 44 LEU A O 20 -ATOM 31129 C CB . LEU A 1 47 ? 5.539 -3.698 8.306 1.00 0.00 ? ? ? ? ? ? 44 LEU A CB 20 -ATOM 31130 C CG . LEU A 1 47 ? 4.117 -3.453 7.813 1.00 0.00 ? ? ? ? ? ? 44 LEU A CG 20 -ATOM 31131 C CD1 . LEU A 1 47 ? 3.817 -4.330 6.627 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD1 20 -ATOM 31132 C CD2 . LEU A 1 47 ? 3.127 -3.749 8.912 1.00 0.00 ? ? ? ? ? ? 44 LEU A CD2 20 -ATOM 31133 H H . LEU A 1 47 ? 6.584 -1.282 8.070 1.00 0.00 ? ? ? ? ? ? 44 LEU A H 20 -ATOM 31134 H HA . LEU A 1 47 ? 5.296 -2.763 10.222 1.00 0.00 ? ? ? ? ? ? 44 LEU A HA 20 -ATOM 31135 H HB2 . LEU A 1 47 ? 6.208 -3.574 7.467 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB2 20 -ATOM 31136 H HB3 . LEU A 1 47 ? 5.605 -4.720 8.650 1.00 0.00 ? ? ? ? ? ? 44 LEU A HB3 20 -ATOM 31137 H HG . LEU A 1 47 ? 4.003 -2.420 7.522 1.00 0.00 ? ? ? ? ? ? 44 LEU A HG 20 -ATOM 31138 H HD11 . LEU A 1 47 ? 2.800 -4.146 6.314 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD11 20 -ATOM 31139 H HD12 . LEU A 1 47 ? 3.933 -5.367 6.909 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD12 20 -ATOM 31140 H HD13 . LEU A 1 47 ? 4.491 -4.092 5.819 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD13 20 -ATOM 31141 H HD21 . LEU A 1 47 ? 2.131 -3.632 8.510 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD21 20 -ATOM 31142 H HD22 . LEU A 1 47 ? 3.279 -3.068 9.735 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD22 20 -ATOM 31143 H HD23 . LEU A 1 47 ? 3.260 -4.766 9.249 1.00 0.00 ? ? ? ? ? ? 44 LEU A HD23 20 -ATOM 31144 N N . ARG A 1 48 ? 7.286 -3.808 11.187 1.00 0.00 ? ? ? ? ? ? 45 ARG A N 20 -ATOM 31145 C CA . ARG A 1 48 ? 8.448 -4.290 11.881 1.00 0.00 ? ? ? ? ? ? 45 ARG A CA 20 -ATOM 31146 C C . ARG A 1 48 ? 8.792 -5.693 11.432 1.00 0.00 ? ? ? ? ? ? 45 ARG A C 20 -ATOM 31147 O O . ARG A 1 48 ? 7.923 -6.577 11.386 1.00 0.00 ? ? ? ? ? ? 45 ARG A O 20 -ATOM 31148 C CB . ARG A 1 48 ? 8.197 -4.258 13.378 1.00 0.00 ? ? ? ? ? ? 45 ARG A CB 20 -ATOM 31149 C CG . ARG A 1 48 ? 8.087 -2.857 13.957 1.00 0.00 ? ? ? ? ? ? 45 ARG A CG 20 -ATOM 31150 C CD . ARG A 1 48 ? 7.566 -2.901 15.378 1.00 0.00 ? ? ? ? ? ? 45 ARG A CD 20 -ATOM 31151 N NE . ARG A 1 48 ? 6.175 -3.375 15.410 1.00 0.00 ? ? ? ? ? ? 45 ARG A NE 20 -ATOM 31152 C CZ . ARG A 1 48 ? 5.634 -4.153 16.352 1.00 0.00 ? ? ? ? ? ? 45 ARG A CZ 20 -ATOM 31153 N NH1 . ARG A 1 48 ? 6.367 -4.627 17.339 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH1 20 -ATOM 31154 N NH2 . ARG A 1 48 ? 4.353 -4.465 16.289 1.00 0.00 ? ? ? ? ? ? 45 ARG A NH2 20 -ATOM 31155 H H . ARG A 1 48 ? 6.419 -3.888 11.636 1.00 0.00 ? ? ? ? ? ? 45 ARG A H 20 -ATOM 31156 H HA . ARG A 1 48 ? 9.275 -3.633 11.656 1.00 0.00 ? ? ? ? ? ? 45 ARG A HA 20 -ATOM 31157 H HB2 . ARG A 1 48 ? 7.275 -4.782 13.586 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB2 20 -ATOM 31158 H HB3 . ARG A 1 48 ? 9.007 -4.772 13.871 1.00 0.00 ? ? ? ? ? ? 45 ARG A HB3 20 -ATOM 31159 H HG2 . ARG A 1 48 ? 9.064 -2.396 13.957 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG2 20 -ATOM 31160 H HG3 . ARG A 1 48 ? 7.408 -2.278 13.348 1.00 0.00 ? ? ? ? ? ? 45 ARG A HG3 20 -ATOM 31161 H HD2 . ARG A 1 48 ? 8.186 -3.569 15.956 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD2 20 -ATOM 31162 H HD3 . ARG A 1 48 ? 7.607 -1.907 15.800 1.00 0.00 ? ? ? ? ? ? 45 ARG A HD3 20 -ATOM 31163 H HE . ARG A 1 48 ? 5.626 -3.049 14.662 1.00 0.00 ? ? ? ? ? ? 45 ARG A HE 20 -ATOM 31164 H HH11 . ARG A 1 48 ? 7.348 -4.433 17.442 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH11 20 -ATOM 31165 H HH12 . ARG A 1 48 ? 5.972 -5.228 18.041 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH12 20 -ATOM 31166 H HH21 . ARG A 1 48 ? 3.752 -4.146 15.553 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH21 20 -ATOM 31167 H HH22 . ARG A 1 48 ? 3.918 -5.044 16.985 1.00 0.00 ? ? ? ? ? ? 45 ARG A HH22 20 -ATOM 31168 N N . GLY A 1 49 ? 10.040 -5.884 11.063 1.00 0.00 ? ? ? ? ? ? 46 GLY A N 20 -ATOM 31169 C CA . GLY A 1 49 ? 10.503 -7.178 10.635 1.00 0.00 ? ? ? ? ? ? 46 GLY A CA 20 -ATOM 31170 C C . GLY A 1 49 ? 10.303 -7.369 9.154 1.00 0.00 ? ? ? ? ? ? 46 GLY A C 20 -ATOM 31171 O O . GLY A 1 49 ? 10.454 -8.474 8.623 1.00 0.00 ? ? ? ? ? ? 46 GLY A O 20 -ATOM 31172 H H . GLY A 1 49 ? 10.662 -5.124 11.066 1.00 0.00 ? ? ? ? ? ? 46 GLY A H 20 -ATOM 31173 H HA2 . GLY A 1 49 ? 11.551 -7.275 10.872 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA2 20 -ATOM 31174 H HA3 . GLY A 1 49 ? 9.948 -7.941 11.160 1.00 0.00 ? ? ? ? ? ? 46 GLY A HA3 20 -ATOM 31175 N N . MET A 1 50 ? 9.980 -6.299 8.491 1.00 0.00 ? ? ? ? ? ? 47 MET A N 20 -ATOM 31176 C CA . MET A 1 50 ? 9.705 -6.308 7.077 1.00 0.00 ? ? ? ? ? ? 47 MET A CA 20 -ATOM 31177 C C . MET A 1 50 ? 10.635 -5.319 6.415 1.00 0.00 ? ? ? ? ? ? 47 MET A C 20 -ATOM 31178 O O . MET A 1 50 ? 10.907 -4.277 6.993 1.00 0.00 ? ? ? ? ? ? 47 MET A O 20 -ATOM 31179 C CB . MET A 1 50 ? 8.250 -5.884 6.844 1.00 0.00 ? ? ? ? ? ? 47 MET A CB 20 -ATOM 31180 C CG . MET A 1 50 ? 7.212 -6.816 7.463 1.00 0.00 ? ? ? ? ? ? 47 MET A CG 20 -ATOM 31181 S SD . MET A 1 50 ? 7.105 -8.413 6.634 1.00 0.00 ? ? ? ? ? ? 47 MET A SD 20 -ATOM 31182 C CE . MET A 1 50 ? 6.422 -7.899 5.058 1.00 0.00 ? ? ? ? ? ? 47 MET A CE 20 -ATOM 31183 H H . MET A 1 50 ? 9.946 -5.443 8.972 1.00 0.00 ? ? ? ? ? ? 47 MET A H 20 -ATOM 31184 H HA . MET A 1 50 ? 9.858 -7.303 6.687 1.00 0.00 ? ? ? ? ? ? 47 MET A HA 20 -ATOM 31185 H HB2 . MET A 1 50 ? 8.111 -4.900 7.267 1.00 0.00 ? ? ? ? ? ? 47 MET A HB2 20 -ATOM 31186 H HB3 . MET A 1 50 ? 8.073 -5.828 5.781 1.00 0.00 ? ? ? ? ? ? 47 MET A HB3 20 -ATOM 31187 H HG2 . MET A 1 50 ? 7.471 -6.985 8.497 1.00 0.00 ? ? ? ? ? ? 47 MET A HG2 20 -ATOM 31188 H HG3 . MET A 1 50 ? 6.244 -6.339 7.414 1.00 0.00 ? ? ? ? ? ? 47 MET A HG3 20 -ATOM 31189 H HE1 . MET A 1 50 ? 7.094 -7.225 4.549 1.00 0.00 ? ? ? ? ? ? 47 MET A HE1 20 -ATOM 31190 H HE2 . MET A 1 50 ? 5.476 -7.407 5.233 1.00 0.00 ? ? ? ? ? ? 47 MET A HE2 20 -ATOM 31191 H HE3 . MET A 1 50 ? 6.241 -8.768 4.442 1.00 0.00 ? ? ? ? ? ? 47 MET A HE3 20 -ATOM 31192 N N . PRO A 1 51 ? 11.170 -5.618 5.239 1.00 0.00 ? ? ? ? ? ? 48 PRO A N 20 -ATOM 31193 C CA . PRO A 1 51 ? 12.035 -4.686 4.541 1.00 0.00 ? ? ? ? ? ? 48 PRO A CA 20 -ATOM 31194 C C . PRO A 1 51 ? 11.243 -3.567 3.870 1.00 0.00 ? ? ? ? ? ? 48 PRO A C 20 -ATOM 31195 O O . PRO A 1 51 ? 10.593 -3.769 2.835 1.00 0.00 ? ? ? ? ? ? 48 PRO A O 20 -ATOM 31196 C CB . PRO A 1 51 ? 12.773 -5.546 3.521 1.00 0.00 ? ? ? ? ? ? 48 PRO A CB 20 -ATOM 31197 C CG . PRO A 1 51 ? 11.872 -6.712 3.271 1.00 0.00 ? ? ? ? ? ? 48 PRO A CG 20 -ATOM 31198 C CD . PRO A 1 51 ? 11.014 -6.888 4.505 1.00 0.00 ? ? ? ? ? ? 48 PRO A CD 20 -ATOM 31199 H HA . PRO A 1 51 ? 12.735 -4.217 5.217 1.00 0.00 ? ? ? ? ? ? 48 PRO A HA 20 -ATOM 31200 H HB2 . PRO A 1 51 ? 12.943 -4.973 2.621 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB2 20 -ATOM 31201 H HB3 . PRO A 1 51 ? 13.718 -5.864 3.932 1.00 0.00 ? ? ? ? ? ? 48 PRO A HB3 20 -ATOM 31202 H HG2 . PRO A 1 51 ? 11.249 -6.510 2.412 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG2 20 -ATOM 31203 H HG3 . PRO A 1 51 ? 12.468 -7.595 3.098 1.00 0.00 ? ? ? ? ? ? 48 PRO A HG3 20 -ATOM 31204 H HD2 . PRO A 1 51 ? 9.980 -7.045 4.233 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD2 20 -ATOM 31205 H HD3 . PRO A 1 51 ? 11.376 -7.717 5.096 1.00 0.00 ? ? ? ? ? ? 48 PRO A HD3 20 -ATOM 31206 N N . ASP A 1 52 ? 11.256 -2.420 4.527 1.00 0.00 ? ? ? ? ? ? 49 ASP A N 20 -ATOM 31207 C CA . ASP A 1 52 ? 10.606 -1.177 4.077 1.00 0.00 ? ? ? ? ? ? 49 ASP A CA 20 -ATOM 31208 C C . ASP A 1 52 ? 9.191 -1.364 3.613 1.00 0.00 ? ? ? ? ? ? 49 ASP A C 20 -ATOM 31209 O O . ASP A 1 52 ? 8.832 -1.015 2.485 1.00 0.00 ? ? ? ? ? ? 49 ASP A O 20 -ATOM 31210 C CB . ASP A 1 52 ? 11.441 -0.397 3.057 1.00 0.00 ? ? ? ? ? ? 49 ASP A CB 20 -ATOM 31211 C CG . ASP A 1 52 ? 12.730 0.086 3.656 1.00 0.00 ? ? ? ? ? ? 49 ASP A CG 20 -ATOM 31212 O OD1 . ASP A 1 52 ? 12.697 1.004 4.513 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD1 20 -ATOM 31213 O OD2 . ASP A 1 52 ? 13.796 -0.491 3.351 1.00 0.00 ? ? ? ? ? ? 49 ASP A OD2 20 -ATOM 31214 H H . ASP A 1 52 ? 11.754 -2.430 5.373 1.00 0.00 ? ? ? ? ? ? 49 ASP A H 20 -ATOM 31215 H HA . ASP A 1 52 ? 10.533 -0.568 4.967 1.00 0.00 ? ? ? ? ? ? 49 ASP A HA 20 -ATOM 31216 H HB2 . ASP A 1 52 ? 11.655 -1.038 2.213 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB2 20 -ATOM 31217 H HB3 . ASP A 1 52 ? 10.877 0.458 2.714 1.00 0.00 ? ? ? ? ? ? 49 ASP A HB3 20 -ATOM 31218 N N . CYS A 1 53 ? 8.400 -1.931 4.467 1.00 0.00 ? ? ? ? ? ? 50 CYS A N 20 -ATOM 31219 C CA . CYS A 1 53 ? 7.020 -2.109 4.187 1.00 0.00 ? ? ? ? ? ? 50 CYS A CA 20 -ATOM 31220 C C . CYS A 1 53 ? 6.266 -1.227 5.154 1.00 0.00 ? ? ? ? ? ? 50 CYS A C 20 -ATOM 31221 O O . CYS A 1 53 ? 6.682 -1.079 6.310 1.00 0.00 ? ? ? ? ? ? 50 CYS A O 20 -ATOM 31222 C CB . CYS A 1 53 ? 6.638 -3.577 4.354 1.00 0.00 ? ? ? ? ? ? 50 CYS A CB 20 -ATOM 31223 S SG . CYS A 1 53 ? 7.654 -4.721 3.377 1.00 0.00 ? ? ? ? ? ? 50 CYS A SG 20 -ATOM 31224 H H . CYS A 1 53 ? 8.735 -2.213 5.345 1.00 0.00 ? ? ? ? ? ? 50 CYS A H 20 -ATOM 31225 H HA . CYS A 1 53 ? 6.825 -1.786 3.177 1.00 0.00 ? ? ? ? ? ? 50 CYS A HA 20 -ATOM 31226 H HB2 . CYS A 1 53 ? 6.741 -3.854 5.392 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB2 20 -ATOM 31227 H HB3 . CYS A 1 53 ? 5.611 -3.708 4.047 1.00 0.00 ? ? ? ? ? ? 50 CYS A HB3 20 -ATOM 31228 H HG . CYS A 1 53 ? 8.741 -4.072 2.969 1.00 0.00 ? ? ? ? ? ? 50 CYS A HG 20 -ATOM 31229 N N . TYR A 1 54 ? 5.215 -0.622 4.701 1.00 0.00 ? ? ? ? ? ? 51 TYR A N 20 -ATOM 31230 C CA . TYR A 1 54 ? 4.465 0.320 5.503 1.00 0.00 ? ? ? ? ? ? 51 TYR A CA 20 -ATOM 31231 C C . TYR A 1 54 ? 3.000 0.039 5.302 1.00 0.00 ? ? ? ? ? ? 51 TYR A C 20 -ATOM 31232 O O . TYR A 1 54 ? 2.627 -0.609 4.308 1.00 0.00 ? ? ? ? ? ? 51 TYR A O 20 -ATOM 31233 C CB . TYR A 1 54 ? 4.764 1.777 5.059 1.00 0.00 ? ? ? ? ? ? 51 TYR A CB 20 -ATOM 31234 C CG . TYR A 1 54 ? 6.235 2.187 5.076 1.00 0.00 ? ? ? ? ? ? 51 TYR A CG 20 -ATOM 31235 C CD1 . TYR A 1 54 ? 7.104 1.777 4.070 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD1 20 -ATOM 31236 C CD2 . TYR A 1 54 ? 6.747 2.976 6.086 1.00 0.00 ? ? ? ? ? ? 51 TYR A CD2 20 -ATOM 31237 C CE1 . TYR A 1 54 ? 8.433 2.136 4.076 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE1 20 -ATOM 31238 C CE2 . TYR A 1 54 ? 8.084 3.340 6.096 1.00 0.00 ? ? ? ? ? ? 51 TYR A CE2 20 -ATOM 31239 C CZ . TYR A 1 54 ? 8.918 2.914 5.085 1.00 0.00 ? ? ? ? ? ? 51 TYR A CZ 20 -ATOM 31240 O OH . TYR A 1 54 ? 10.254 3.261 5.099 1.00 0.00 ? ? ? ? ? ? 51 TYR A OH 20 -ATOM 31241 H H . TYR A 1 54 ? 4.902 -0.806 3.785 1.00 0.00 ? ? ? ? ? ? 51 TYR A H 20 -ATOM 31242 H HA . TYR A 1 54 ? 4.731 0.199 6.543 1.00 0.00 ? ? ? ? ? ? 51 TYR A HA 20 -ATOM 31243 H HB2 . TYR A 1 54 ? 4.405 1.911 4.050 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB2 20 -ATOM 31244 H HB3 . TYR A 1 54 ? 4.222 2.452 5.707 1.00 0.00 ? ? ? ? ? ? 51 TYR A HB3 20 -ATOM 31245 H HD1 . TYR A 1 54 ? 6.721 1.161 3.270 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD1 20 -ATOM 31246 H HD2 . TYR A 1 54 ? 6.093 3.307 6.880 1.00 0.00 ? ? ? ? ? ? 51 TYR A HD2 20 -ATOM 31247 H HE1 . TYR A 1 54 ? 9.086 1.803 3.282 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE1 20 -ATOM 31248 H HE2 . TYR A 1 54 ? 8.467 3.958 6.895 1.00 0.00 ? ? ? ? ? ? 51 TYR A HE2 20 -ATOM 31249 H HH . TYR A 1 54 ? 10.544 3.463 4.203 1.00 0.00 ? ? ? ? ? ? 51 TYR A HH 20 -ATOM 31250 N N . LYS A 1 55 ? 2.174 0.490 6.208 1.00 0.00 ? ? ? ? ? ? 52 LYS A N 20 -ATOM 31251 C CA . LYS A 1 55 ? 0.762 0.295 6.056 1.00 0.00 ? ? ? ? ? ? 52 LYS A CA 20 -ATOM 31252 C C . LYS A 1 55 ? 0.010 1.584 6.317 1.00 0.00 ? ? ? ? ? ? 52 LYS A C 20 -ATOM 31253 O O . LYS A 1 55 ? 0.358 2.361 7.216 1.00 0.00 ? ? ? ? ? ? 52 LYS A O 20 -ATOM 31254 C CB . LYS A 1 55 ? 0.189 -0.841 6.956 1.00 0.00 ? ? ? ? ? ? 52 LYS A CB 20 -ATOM 31255 C CG . LYS A 1 55 ? 0.136 -0.553 8.467 1.00 0.00 ? ? ? ? ? ? 52 LYS A CG 20 -ATOM 31256 C CD . LYS A 1 55 ? 1.486 -0.667 9.153 1.00 0.00 ? ? ? ? ? ? 52 LYS A CD 20 -ATOM 31257 C CE . LYS A 1 55 ? 1.383 -0.235 10.600 1.00 0.00 ? ? ? ? ? ? 52 LYS A CE 20 -ATOM 31258 N NZ . LYS A 1 55 ? 2.582 -0.583 11.401 1.00 0.00 ? ? ? ? ? ? 52 LYS A NZ 20 -ATOM 31259 H H . LYS A 1 55 ? 2.513 0.988 6.984 1.00 0.00 ? ? ? ? ? ? 52 LYS A H 20 -ATOM 31260 H HA . LYS A 1 55 ? 0.596 0.025 5.023 1.00 0.00 ? ? ? ? ? ? 52 LYS A HA 20 -ATOM 31261 H HB2 . LYS A 1 55 ? -0.818 -1.062 6.631 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB2 20 -ATOM 31262 H HB3 . LYS A 1 55 ? 0.791 -1.725 6.804 1.00 0.00 ? ? ? ? ? ? 52 LYS A HB3 20 -ATOM 31263 H HG2 . LYS A 1 55 ? -0.230 0.452 8.612 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG2 20 -ATOM 31264 H HG3 . LYS A 1 55 ? -0.553 -1.248 8.925 1.00 0.00 ? ? ? ? ? ? 52 LYS A HG3 20 -ATOM 31265 H HD2 . LYS A 1 55 ? 1.813 -1.695 9.112 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD2 20 -ATOM 31266 H HD3 . LYS A 1 55 ? 2.198 -0.036 8.642 1.00 0.00 ? ? ? ? ? ? 52 LYS A HD3 20 -ATOM 31267 H HE2 . LYS A 1 55 ? 1.276 0.837 10.603 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE2 20 -ATOM 31268 H HE3 . LYS A 1 55 ? 0.508 -0.686 11.043 1.00 0.00 ? ? ? ? ? ? 52 LYS A HE3 20 -ATOM 31269 H HZ1 . LYS A 1 55 ? 2.644 -1.618 11.502 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ1 20 -ATOM 31270 H HZ2 . LYS A 1 55 ? 2.474 -0.191 12.359 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ2 20 -ATOM 31271 H HZ3 . LYS A 1 55 ? 3.476 -0.230 11.002 1.00 0.00 ? ? ? ? ? ? 52 LYS A HZ3 20 -ATOM 31272 N N . ILE A 1 56 ? -0.986 1.805 5.526 1.00 0.00 ? ? ? ? ? ? 53 ILE A N 20 -ATOM 31273 C CA . ILE A 1 56 ? -1.885 2.904 5.691 1.00 0.00 ? ? ? ? ? ? 53 ILE A CA 20 -ATOM 31274 C C . ILE A 1 56 ? -3.213 2.327 6.116 1.00 0.00 ? ? ? ? ? ? 53 ILE A C 20 -ATOM 31275 O O . ILE A 1 56 ? -3.618 1.265 5.632 1.00 0.00 ? ? ? ? ? ? 53 ILE A O 20 -ATOM 31276 C CB . ILE A 1 56 ? -2.040 3.740 4.378 1.00 0.00 ? ? ? ? ? ? 53 ILE A CB 20 -ATOM 31277 C CG1 . ILE A 1 56 ? -0.701 4.404 4.019 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG1 20 -ATOM 31278 C CG2 . ILE A 1 56 ? -3.156 4.792 4.501 1.00 0.00 ? ? ? ? ? ? 53 ILE A CG2 20 -ATOM 31279 C CD1 . ILE A 1 56 ? -0.738 5.244 2.763 1.00 0.00 ? ? ? ? ? ? 53 ILE A CD1 20 -ATOM 31280 H H . ILE A 1 56 ? -1.142 1.178 4.783 1.00 0.00 ? ? ? ? ? ? 53 ILE A H 20 -ATOM 31281 H HA . ILE A 1 56 ? -1.505 3.535 6.482 1.00 0.00 ? ? ? ? ? ? 53 ILE A HA 20 -ATOM 31282 H HB . ILE A 1 56 ? -2.311 3.061 3.583 1.00 0.00 ? ? ? ? ? ? 53 ILE A HB 20 -ATOM 31283 H HG12 . ILE A 1 56 ? -0.402 5.047 4.833 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG12 20 -ATOM 31284 H HG13 . ILE A 1 56 ? 0.046 3.634 3.888 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG13 20 -ATOM 31285 H HG21 . ILE A 1 56 ? -4.093 4.302 4.722 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG21 20 -ATOM 31286 H HG22 . ILE A 1 56 ? -3.248 5.332 3.571 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG22 20 -ATOM 31287 H HG23 . ILE A 1 56 ? -2.918 5.487 5.293 1.00 0.00 ? ? ? ? ? ? 53 ILE A HG23 20 -ATOM 31288 H HD11 . ILE A 1 56 ? 0.241 5.656 2.571 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD11 20 -ATOM 31289 H HD12 . ILE A 1 56 ? -1.446 6.047 2.895 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD12 20 -ATOM 31290 H HD13 . ILE A 1 56 ? -1.047 4.626 1.933 1.00 0.00 ? ? ? ? ? ? 53 ILE A HD13 20 -ATOM 31291 N N . LYS A 1 57 ? -3.866 2.988 7.016 1.00 0.00 ? ? ? ? ? ? 54 LYS A N 20 -ATOM 31292 C CA . LYS A 1 57 ? -5.110 2.520 7.533 1.00 0.00 ? ? ? ? ? ? 54 LYS A CA 20 -ATOM 31293 C C . LYS A 1 57 ? -6.155 3.596 7.407 1.00 0.00 ? ? ? ? ? ? 54 LYS A C 20 -ATOM 31294 O O . LYS A 1 57 ? -5.892 4.786 7.688 1.00 0.00 ? ? ? ? ? ? 54 LYS A O 20 -ATOM 31295 C CB . LYS A 1 57 ? -5.014 1.952 8.988 1.00 0.00 ? ? ? ? ? ? 54 LYS A CB 20 -ATOM 31296 C CG . LYS A 1 57 ? -4.497 2.909 10.063 1.00 0.00 ? ? ? ? ? ? 54 LYS A CG 20 -ATOM 31297 C CD . LYS A 1 57 ? -3.017 3.204 9.904 1.00 0.00 ? ? ? ? ? ? 54 LYS A CD 20 -ATOM 31298 C CE . LYS A 1 57 ? -2.576 4.288 10.836 1.00 0.00 ? ? ? ? ? ? 54 LYS A CE 20 -ATOM 31299 N NZ . LYS A 1 57 ? -2.546 3.839 12.239 1.00 0.00 ? ? ? ? ? ? 54 LYS A NZ 20 -ATOM 31300 H H . LYS A 1 57 ? -3.530 3.860 7.308 1.00 0.00 ? ? ? ? ? ? 54 LYS A H 20 -ATOM 31301 H HA . LYS A 1 57 ? -5.395 1.719 6.872 1.00 0.00 ? ? ? ? ? ? 54 LYS A HA 20 -ATOM 31302 H HB2 . LYS A 1 57 ? -5.998 1.630 9.292 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB2 20 -ATOM 31303 H HB3 . LYS A 1 57 ? -4.368 1.086 8.969 1.00 0.00 ? ? ? ? ? ? 54 LYS A HB3 20 -ATOM 31304 H HG2 . LYS A 1 57 ? -5.045 3.835 9.988 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG2 20 -ATOM 31305 H HG3 . LYS A 1 57 ? -4.670 2.468 11.034 1.00 0.00 ? ? ? ? ? ? 54 LYS A HG3 20 -ATOM 31306 H HD2 . LYS A 1 57 ? -2.459 2.310 10.140 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD2 20 -ATOM 31307 H HD3 . LYS A 1 57 ? -2.796 3.496 8.889 1.00 0.00 ? ? ? ? ? ? 54 LYS A HD3 20 -ATOM 31308 H HE2 . LYS A 1 57 ? -1.607 4.632 10.515 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE2 20 -ATOM 31309 H HE3 . LYS A 1 57 ? -3.307 5.075 10.715 1.00 0.00 ? ? ? ? ? ? 54 LYS A HE3 20 -ATOM 31310 H HZ1 . LYS A 1 57 ? -1.906 3.028 12.351 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ1 20 -ATOM 31311 H HZ2 . LYS A 1 57 ? -3.491 3.552 12.566 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ2 20 -ATOM 31312 H HZ3 . LYS A 1 57 ? -2.217 4.597 12.871 1.00 0.00 ? ? ? ? ? ? 54 LYS A HZ3 20 -ATOM 31313 N N . LEU A 1 58 ? -7.284 3.199 6.925 1.00 0.00 ? ? ? ? ? ? 55 LEU A N 20 -ATOM 31314 C CA . LEU A 1 58 ? -8.404 4.065 6.702 1.00 0.00 ? ? ? ? ? ? 55 LEU A CA 20 -ATOM 31315 C C . LEU A 1 58 ? -9.241 3.997 7.983 1.00 0.00 ? ? ? ? ? ? 55 LEU A C 20 -ATOM 31316 O O . LEU A 1 58 ? -9.413 2.913 8.542 1.00 0.00 ? ? ? ? ? ? 55 LEU A O 20 -ATOM 31317 C CB . LEU A 1 58 ? -9.167 3.509 5.463 1.00 0.00 ? ? ? ? ? ? 55 LEU A CB 20 -ATOM 31318 C CG . LEU A 1 58 ? -9.949 4.479 4.551 1.00 0.00 ? ? ? ? ? ? 55 LEU A CG 20 -ATOM 31319 C CD1 . LEU A 1 58 ? -11.170 5.059 5.211 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD1 20 -ATOM 31320 C CD2 . LEU A 1 58 ? -9.041 5.580 4.052 1.00 0.00 ? ? ? ? ? ? 55 LEU A CD2 20 -ATOM 31321 H H . LEU A 1 58 ? -7.394 2.246 6.703 1.00 0.00 ? ? ? ? ? ? 55 LEU A H 20 -ATOM 31322 H HA . LEU A 1 58 ? -8.048 5.067 6.516 1.00 0.00 ? ? ? ? ? ? 55 LEU A HA 20 -ATOM 31323 H HB2 . LEU A 1 58 ? -8.446 3.003 4.841 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB2 20 -ATOM 31324 H HB3 . LEU A 1 58 ? -9.861 2.766 5.829 1.00 0.00 ? ? ? ? ? ? 55 LEU A HB3 20 -ATOM 31325 H HG . LEU A 1 58 ? -10.289 3.930 3.684 1.00 0.00 ? ? ? ? ? ? 55 LEU A HG 20 -ATOM 31326 H HD11 . LEU A 1 58 ? -10.886 5.543 6.132 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD11 20 -ATOM 31327 H HD12 . LEU A 1 58 ? -11.883 4.273 5.410 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD12 20 -ATOM 31328 H HD13 . LEU A 1 58 ? -11.609 5.786 4.542 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD13 20 -ATOM 31329 H HD21 . LEU A 1 58 ? -9.600 6.216 3.383 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD21 20 -ATOM 31330 H HD22 . LEU A 1 58 ? -8.207 5.138 3.528 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD22 20 -ATOM 31331 H HD23 . LEU A 1 58 ? -8.681 6.162 4.887 1.00 0.00 ? ? ? ? ? ? 55 LEU A HD23 20 -ATOM 31332 N N . ARG A 1 59 ? -9.710 5.127 8.480 1.00 0.00 ? ? ? ? ? ? 56 ARG A N 20 -ATOM 31333 C CA . ARG A 1 59 ? -10.428 5.118 9.756 1.00 0.00 ? ? ? ? ? ? 56 ARG A CA 20 -ATOM 31334 C C . ARG A 1 59 ? -11.926 5.321 9.591 1.00 0.00 ? ? ? ? ? ? 56 ARG A C 20 -ATOM 31335 O O . ARG A 1 59 ? -12.700 5.056 10.498 1.00 0.00 ? ? ? ? ? ? 56 ARG A O 20 -ATOM 31336 C CB . ARG A 1 59 ? -9.813 6.113 10.759 1.00 0.00 ? ? ? ? ? ? 56 ARG A CB 20 -ATOM 31337 C CG . ARG A 1 59 ? -9.766 7.557 10.283 1.00 0.00 ? ? ? ? ? ? 56 ARG A CG 20 -ATOM 31338 C CD . ARG A 1 59 ? -9.012 8.442 11.264 1.00 0.00 ? ? ? ? ? ? 56 ARG A CD 20 -ATOM 31339 N NE . ARG A 1 59 ? -7.623 7.976 11.461 1.00 0.00 ? ? ? ? ? ? 56 ARG A NE 20 -ATOM 31340 C CZ . ARG A 1 59 ? -6.525 8.752 11.430 1.00 0.00 ? ? ? ? ? ? 56 ARG A CZ 20 -ATOM 31341 N NH1 . ARG A 1 59 ? -6.621 10.067 11.204 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH1 20 -ATOM 31342 N NH2 . ARG A 1 59 ? -5.337 8.205 11.635 1.00 0.00 ? ? ? ? ? ? 56 ARG A NH2 20 -ATOM 31343 H H . ARG A 1 59 ? -9.575 5.969 7.993 1.00 0.00 ? ? ? ? ? ? 56 ARG A H 20 -ATOM 31344 H HA . ARG A 1 59 ? -10.299 4.121 10.152 1.00 0.00 ? ? ? ? ? ? 56 ARG A HA 20 -ATOM 31345 H HB2 . ARG A 1 59 ? -10.394 6.084 11.669 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB2 20 -ATOM 31346 H HB3 . ARG A 1 59 ? -8.805 5.794 10.982 1.00 0.00 ? ? ? ? ? ? 56 ARG A HB3 20 -ATOM 31347 H HG2 . ARG A 1 59 ? -9.256 7.590 9.332 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG2 20 -ATOM 31348 H HG3 . ARG A 1 59 ? -10.773 7.930 10.172 1.00 0.00 ? ? ? ? ? ? 56 ARG A HG3 20 -ATOM 31349 H HD2 . ARG A 1 59 ? -8.995 9.451 10.882 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD2 20 -ATOM 31350 H HD3 . ARG A 1 59 ? -9.521 8.426 12.215 1.00 0.00 ? ? ? ? ? ? 56 ARG A HD3 20 -ATOM 31351 H HE . ARG A 1 59 ? -7.537 7.013 11.638 1.00 0.00 ? ? ? ? ? ? 56 ARG A HE 20 -ATOM 31352 H HH11 . ARG A 1 59 ? -7.503 10.520 11.053 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH11 20 -ATOM 31353 H HH12 . ARG A 1 59 ? -5.826 10.680 11.169 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH12 20 -ATOM 31354 H HH21 . ARG A 1 59 ? -5.233 7.224 11.818 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH21 20 -ATOM 31355 H HH22 . ARG A 1 59 ? -4.485 8.736 11.622 1.00 0.00 ? ? ? ? ? ? 56 ARG A HH22 20 -ATOM 31356 N N . SER A 1 60 ? -12.332 5.782 8.433 1.00 0.00 ? ? ? ? ? ? 57 SER A N 20 -ATOM 31357 C CA . SER A 1 60 ? -13.744 5.954 8.146 1.00 0.00 ? ? ? ? ? ? 57 SER A CA 20 -ATOM 31358 C C . SER A 1 60 ? -14.373 4.591 7.811 1.00 0.00 ? ? ? ? ? ? 57 SER A C 20 -ATOM 31359 O O . SER A 1 60 ? -15.553 4.356 8.052 1.00 0.00 ? ? ? ? ? ? 57 SER A O 20 -ATOM 31360 C CB . SER A 1 60 ? -13.899 6.924 6.986 1.00 0.00 ? ? ? ? ? ? 57 SER A CB 20 -ATOM 31361 O OG . SER A 1 60 ? -13.159 8.112 7.245 1.00 0.00 ? ? ? ? ? ? 57 SER A OG 20 -ATOM 31362 H H . SER A 1 60 ? -11.668 6.045 7.765 1.00 0.00 ? ? ? ? ? ? 57 SER A H 20 -ATOM 31363 H HA . SER A 1 60 ? -14.223 6.361 9.023 1.00 0.00 ? ? ? ? ? ? 57 SER A HA 20 -ATOM 31364 H HB2 . SER A 1 60 ? -13.529 6.468 6.078 1.00 0.00 ? ? ? ? ? ? 57 SER A HB2 20 -ATOM 31365 H HB3 . SER A 1 60 ? -14.940 7.181 6.869 1.00 0.00 ? ? ? ? ? ? 57 SER A HB3 20 -ATOM 31366 H HG . SER A 1 60 ? -13.369 8.372 8.154 1.00 0.00 ? ? ? ? ? ? 57 SER A HG 20 -ATOM 31367 N N . SER A 1 61 ? -13.555 3.712 7.292 1.00 0.00 ? ? ? ? ? ? 58 SER A N 20 -ATOM 31368 C CA . SER A 1 61 ? -13.924 2.365 6.936 1.00 0.00 ? ? ? ? ? ? 58 SER A CA 20 -ATOM 31369 C C . SER A 1 61 ? -12.711 1.514 7.252 1.00 0.00 ? ? ? ? ? ? 58 SER A C 20 -ATOM 31370 O O . SER A 1 61 ? -11.595 1.973 7.023 1.00 0.00 ? ? ? ? ? ? 58 SER A O 20 -ATOM 31371 C CB . SER A 1 61 ? -14.234 2.282 5.432 1.00 0.00 ? ? ? ? ? ? 58 SER A CB 20 -ATOM 31372 O OG . SER A 1 61 ? -15.232 3.223 5.046 1.00 0.00 ? ? ? ? ? ? 58 SER A OG 20 -ATOM 31373 H H . SER A 1 61 ? -12.614 3.943 7.150 1.00 0.00 ? ? ? ? ? ? 58 SER A H 20 -ATOM 31374 H HA . SER A 1 61 ? -14.778 2.054 7.521 1.00 0.00 ? ? ? ? ? ? 58 SER A HA 20 -ATOM 31375 H HB2 . SER A 1 61 ? -13.335 2.486 4.872 1.00 0.00 ? ? ? ? ? ? 58 SER A HB2 20 -ATOM 31376 H HB3 . SER A 1 61 ? -14.586 1.289 5.197 1.00 0.00 ? ? ? ? ? ? 58 SER A HB3 20 -ATOM 31377 H HG . SER A 1 61 ? -15.747 2.794 4.350 1.00 0.00 ? ? ? ? ? ? 58 SER A HG 20 -ATOM 31378 N N . GLY A 1 62 ? -12.904 0.323 7.788 1.00 0.00 ? ? ? ? ? ? 59 GLY A N 20 -ATOM 31379 C CA . GLY A 1 62 ? -11.784 -0.519 8.176 1.00 0.00 ? ? ? ? ? ? 59 GLY A CA 20 -ATOM 31380 C C . GLY A 1 62 ? -11.035 -1.130 6.996 1.00 0.00 ? ? ? ? ? ? 59 GLY A C 20 -ATOM 31381 O O . GLY A 1 62 ? -11.176 -2.326 6.706 1.00 0.00 ? ? ? ? ? ? 59 GLY A O 20 -ATOM 31382 H H . GLY A 1 62 ? -13.815 -0.010 7.941 1.00 0.00 ? ? ? ? ? ? 59 GLY A H 20 -ATOM 31383 H HA2 . GLY A 1 62 ? -11.089 0.080 8.745 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA2 20 -ATOM 31384 H HA3 . GLY A 1 62 ? -12.152 -1.315 8.807 1.00 0.00 ? ? ? ? ? ? 59 GLY A HA3 20 -ATOM 31385 N N . TYR A 1 63 ? -10.260 -0.327 6.320 1.00 0.00 ? ? ? ? ? ? 60 TYR A N 20 -ATOM 31386 C CA . TYR A 1 63 ? -9.450 -0.769 5.215 1.00 0.00 ? ? ? ? ? ? 60 TYR A CA 20 -ATOM 31387 C C . TYR A 1 63 ? -8.007 -0.421 5.453 1.00 0.00 ? ? ? ? ? ? 60 TYR A C 20 -ATOM 31388 O O . TYR A 1 63 ? -7.695 0.619 6.014 1.00 0.00 ? ? ? ? ? ? 60 TYR A O 20 -ATOM 31389 C CB . TYR A 1 63 ? -9.938 -0.195 3.885 1.00 0.00 ? ? ? ? ? ? 60 TYR A CB 20 -ATOM 31390 C CG . TYR A 1 63 ? -11.169 -0.880 3.335 1.00 0.00 ? ? ? ? ? ? 60 TYR A CG 20 -ATOM 31391 C CD1 . TYR A 1 63 ? -12.450 -0.529 3.746 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD1 20 -ATOM 31392 C CD2 . TYR A 1 63 ? -11.040 -1.881 2.393 1.00 0.00 ? ? ? ? ? ? 60 TYR A CD2 20 -ATOM 31393 C CE1 . TYR A 1 63 ? -13.562 -1.166 3.225 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE1 20 -ATOM 31394 C CE2 . TYR A 1 63 ? -12.138 -2.520 1.871 1.00 0.00 ? ? ? ? ? ? 60 TYR A CE2 20 -ATOM 31395 C CZ . TYR A 1 63 ? -13.395 -2.162 2.287 1.00 0.00 ? ? ? ? ? ? 60 TYR A CZ 20 -ATOM 31396 O OH . TYR A 1 63 ? -14.489 -2.805 1.761 1.00 0.00 ? ? ? ? ? ? 60 TYR A OH 20 -ATOM 31397 H H . TYR A 1 63 ? -10.229 0.624 6.574 1.00 0.00 ? ? ? ? ? ? 60 TYR A H 20 -ATOM 31398 H HA . TYR A 1 63 ? -9.530 -1.846 5.177 1.00 0.00 ? ? ? ? ? ? 60 TYR A HA 20 -ATOM 31399 H HB2 . TYR A 1 63 ? -10.175 0.851 4.021 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB2 20 -ATOM 31400 H HB3 . TYR A 1 63 ? -9.149 -0.286 3.154 1.00 0.00 ? ? ? ? ? ? 60 TYR A HB3 20 -ATOM 31401 H HD1 . TYR A 1 63 ? -12.572 0.251 4.482 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD1 20 -ATOM 31402 H HD2 . TYR A 1 63 ? -10.049 -2.161 2.068 1.00 0.00 ? ? ? ? ? ? 60 TYR A HD2 20 -ATOM 31403 H HE1 . TYR A 1 63 ? -14.551 -0.885 3.554 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE1 20 -ATOM 31404 H HE2 . TYR A 1 63 ? -12.008 -3.300 1.135 1.00 0.00 ? ? ? ? ? ? 60 TYR A HE2 20 -ATOM 31405 H HH . TYR A 1 63 ? -14.288 -3.749 1.749 1.00 0.00 ? ? ? ? ? ? 60 TYR A HH 20 -ATOM 31406 N N . ARG A 1 64 ? -7.144 -1.313 5.073 1.00 0.00 ? ? ? ? ? ? 61 ARG A N 20 -ATOM 31407 C CA . ARG A 1 64 ? -5.730 -1.155 5.245 1.00 0.00 ? ? ? ? ? ? 61 ARG A CA 20 -ATOM 31408 C C . ARG A 1 64 ? -5.071 -1.355 3.904 1.00 0.00 ? ? ? ? ? ? 61 ARG A C 20 -ATOM 31409 O O . ARG A 1 64 ? -5.578 -2.106 3.057 1.00 0.00 ? ? ? ? ? ? 61 ARG A O 20 -ATOM 31410 C CB . ARG A 1 64 ? -5.134 -2.182 6.247 1.00 0.00 ? ? ? ? ? ? 61 ARG A CB 20 -ATOM 31411 C CG . ARG A 1 64 ? -5.613 -2.106 7.710 1.00 0.00 ? ? ? ? ? ? 61 ARG A CG 20 -ATOM 31412 C CD . ARG A 1 64 ? -7.063 -2.551 7.891 1.00 0.00 ? ? ? ? ? ? 61 ARG A CD 20 -ATOM 31413 N NE . ARG A 1 64 ? -7.433 -2.651 9.301 1.00 0.00 ? ? ? ? ? ? 61 ARG A NE 20 -ATOM 31414 C CZ . ARG A 1 64 ? -8.594 -3.116 9.775 1.00 0.00 ? ? ? ? ? ? 61 ARG A CZ 20 -ATOM 31415 N NH1 . ARG A 1 64 ? -9.609 -3.388 8.945 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH1 20 -ATOM 31416 N NH2 . ARG A 1 64 ? -8.754 -3.277 11.085 1.00 0.00 ? ? ? ? ? ? 61 ARG A NH2 20 -ATOM 31417 H H . ARG A 1 64 ? -7.447 -2.124 4.606 1.00 0.00 ? ? ? ? ? ? 61 ARG A H 20 -ATOM 31418 H HA . ARG A 1 64 ? -5.534 -0.155 5.600 1.00 0.00 ? ? ? ? ? ? 61 ARG A HA 20 -ATOM 31419 H HB2 . ARG A 1 64 ? -5.367 -3.174 5.889 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB2 20 -ATOM 31420 H HB3 . ARG A 1 64 ? -4.060 -2.073 6.238 1.00 0.00 ? ? ? ? ? ? 61 ARG A HB3 20 -ATOM 31421 H HG2 . ARG A 1 64 ? -4.988 -2.749 8.312 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG2 20 -ATOM 31422 H HG3 . ARG A 1 64 ? -5.512 -1.088 8.057 1.00 0.00 ? ? ? ? ? ? 61 ARG A HG3 20 -ATOM 31423 H HD2 . ARG A 1 64 ? -7.708 -1.830 7.411 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD2 20 -ATOM 31424 H HD3 . ARG A 1 64 ? -7.197 -3.515 7.423 1.00 0.00 ? ? ? ? ? ? 61 ARG A HD3 20 -ATOM 31425 H HE . ARG A 1 64 ? -6.712 -2.383 9.921 1.00 0.00 ? ? ? ? ? ? 61 ARG A HE 20 -ATOM 31426 H HH11 . ARG A 1 64 ? -9.554 -3.248 7.955 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH11 20 -ATOM 31427 H HH12 . ARG A 1 64 ? -10.477 -3.756 9.289 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH12 20 -ATOM 31428 H HH21 . ARG A 1 64 ? -8.027 -3.060 11.744 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH21 20 -ATOM 31429 H HH22 . ARG A 1 64 ? -9.601 -3.637 11.484 1.00 0.00 ? ? ? ? ? ? 61 ARG A HH22 20 -ATOM 31430 N N . LEU A 1 65 ? -3.986 -0.698 3.702 1.00 0.00 ? ? ? ? ? ? 62 LEU A N 20 -ATOM 31431 C CA . LEU A 1 65 ? -3.237 -0.817 2.492 1.00 0.00 ? ? ? ? ? ? 62 LEU A CA 20 -ATOM 31432 C C . LEU A 1 65 ? -1.775 -0.999 2.876 1.00 0.00 ? ? ? ? ? ? 62 LEU A C 20 -ATOM 31433 O O . LEU A 1 65 ? -1.230 -0.199 3.631 1.00 0.00 ? ? ? ? ? ? 62 LEU A O 20 -ATOM 31434 C CB . LEU A 1 65 ? -3.490 0.442 1.619 1.00 0.00 ? ? ? ? ? ? 62 LEU A CB 20 -ATOM 31435 C CG . LEU A 1 65 ? -2.898 0.474 0.195 1.00 0.00 ? ? ? ? ? ? 62 LEU A CG 20 -ATOM 31436 C CD1 . LEU A 1 65 ? -3.582 1.548 -0.626 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD1 20 -ATOM 31437 C CD2 . LEU A 1 65 ? -1.418 0.772 0.228 1.00 0.00 ? ? ? ? ? ? 62 LEU A CD2 20 -ATOM 31438 H H . LEU A 1 65 ? -3.657 -0.085 4.400 1.00 0.00 ? ? ? ? ? ? 62 LEU A H 20 -ATOM 31439 H HA . LEU A 1 65 ? -3.577 -1.698 1.968 1.00 0.00 ? ? ? ? ? ? 62 LEU A HA 20 -ATOM 31440 H HB2 . LEU A 1 65 ? -4.558 0.565 1.529 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB2 20 -ATOM 31441 H HB3 . LEU A 1 65 ? -3.109 1.297 2.159 1.00 0.00 ? ? ? ? ? ? 62 LEU A HB3 20 -ATOM 31442 H HG . LEU A 1 65 ? -3.050 -0.480 -0.285 1.00 0.00 ? ? ? ? ? ? 62 LEU A HG 20 -ATOM 31443 H HD11 . LEU A 1 65 ? -3.445 2.507 -0.148 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD11 20 -ATOM 31444 H HD12 . LEU A 1 65 ? -4.636 1.329 -0.711 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD12 20 -ATOM 31445 H HD13 . LEU A 1 65 ? -3.135 1.569 -1.609 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD13 20 -ATOM 31446 H HD21 . LEU A 1 65 ? -1.040 0.819 -0.781 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD21 20 -ATOM 31447 H HD22 . LEU A 1 65 ? -0.908 -0.010 0.772 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD22 20 -ATOM 31448 H HD23 . LEU A 1 65 ? -1.261 1.720 0.720 1.00 0.00 ? ? ? ? ? ? 62 LEU A HD23 20 -ATOM 31449 N N . VAL A 1 66 ? -1.166 -2.057 2.390 1.00 0.00 ? ? ? ? ? ? 63 VAL A N 20 -ATOM 31450 C CA . VAL A 1 66 ? 0.210 -2.382 2.724 1.00 0.00 ? ? ? ? ? ? 63 VAL A CA 20 -ATOM 31451 C C . VAL A 1 66 ? 1.070 -2.317 1.474 1.00 0.00 ? ? ? ? ? ? 63 VAL A C 20 -ATOM 31452 O O . VAL A 1 66 ? 0.731 -2.922 0.434 1.00 0.00 ? ? ? ? ? ? 63 VAL A O 20 -ATOM 31453 C CB . VAL A 1 66 ? 0.323 -3.793 3.380 1.00 0.00 ? ? ? ? ? ? 63 VAL A CB 20 -ATOM 31454 C CG1 . VAL A 1 66 ? 1.770 -4.145 3.701 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG1 20 -ATOM 31455 C CG2 . VAL A 1 66 ? -0.513 -3.854 4.645 1.00 0.00 ? ? ? ? ? ? 63 VAL A CG2 20 -ATOM 31456 H H . VAL A 1 66 ? -1.635 -2.640 1.751 1.00 0.00 ? ? ? ? ? ? 63 VAL A H 20 -ATOM 31457 H HA . VAL A 1 66 ? 0.564 -1.640 3.424 1.00 0.00 ? ? ? ? ? ? 63 VAL A HA 20 -ATOM 31458 H HB . VAL A 1 66 ? -0.063 -4.526 2.685 1.00 0.00 ? ? ? ? ? ? 63 VAL A HB 20 -ATOM 31459 H HG11 . VAL A 1 66 ? 1.810 -5.124 4.157 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG11 20 -ATOM 31460 H HG12 . VAL A 1 66 ? 2.172 -3.417 4.391 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG12 20 -ATOM 31461 H HG13 . VAL A 1 66 ? 2.354 -4.145 2.793 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG13 20 -ATOM 31462 H HG21 . VAL A 1 66 ? -0.421 -4.833 5.091 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG21 20 -ATOM 31463 H HG22 . VAL A 1 66 ? -1.548 -3.665 4.401 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG22 20 -ATOM 31464 H HG23 . VAL A 1 66 ? -0.168 -3.107 5.343 1.00 0.00 ? ? ? ? ? ? 63 VAL A HG23 20 -ATOM 31465 N N . TYR A 1 67 ? 2.159 -1.601 1.560 1.00 0.00 ? ? ? ? ? ? 64 TYR A N 20 -ATOM 31466 C CA . TYR A 1 67 ? 3.028 -1.408 0.434 1.00 0.00 ? ? ? ? ? ? 64 TYR A CA 20 -ATOM 31467 C C . TYR A 1 67 ? 4.485 -1.499 0.833 1.00 0.00 ? ? ? ? ? ? 64 TYR A C 20 -ATOM 31468 O O . TYR A 1 67 ? 4.823 -1.349 2.012 1.00 0.00 ? ? ? ? ? ? 64 TYR A O 20 -ATOM 31469 C CB . TYR A 1 67 ? 2.737 -0.060 -0.262 1.00 0.00 ? ? ? ? ? ? 64 TYR A CB 20 -ATOM 31470 C CG . TYR A 1 67 ? 2.855 1.197 0.600 1.00 0.00 ? ? ? ? ? ? 64 TYR A CG 20 -ATOM 31471 C CD1 . TYR A 1 67 ? 4.075 1.628 1.116 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD1 20 -ATOM 31472 C CD2 . TYR A 1 67 ? 1.742 1.963 0.865 1.00 0.00 ? ? ? ? ? ? 64 TYR A CD2 20 -ATOM 31473 C CE1 . TYR A 1 67 ? 4.165 2.777 1.866 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE1 20 -ATOM 31474 C CE2 . TYR A 1 67 ? 1.824 3.113 1.608 1.00 0.00 ? ? ? ? ? ? 64 TYR A CE2 20 -ATOM 31475 C CZ . TYR A 1 67 ? 3.037 3.516 2.110 1.00 0.00 ? ? ? ? ? ? 64 TYR A CZ 20 -ATOM 31476 O OH . TYR A 1 67 ? 3.120 4.665 2.856 1.00 0.00 ? ? ? ? ? ? 64 TYR A OH 20 -ATOM 31477 H H . TYR A 1 67 ? 2.405 -1.200 2.426 1.00 0.00 ? ? ? ? ? ? 64 TYR A H 20 -ATOM 31478 H HA . TYR A 1 67 ? 2.820 -2.198 -0.272 1.00 0.00 ? ? ? ? ? ? 64 TYR A HA 20 -ATOM 31479 H HB2 . TYR A 1 67 ? 3.392 0.067 -1.110 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB2 20 -ATOM 31480 H HB3 . TYR A 1 67 ? 1.722 -0.095 -0.630 1.00 0.00 ? ? ? ? ? ? 64 TYR A HB3 20 -ATOM 31481 H HD1 . TYR A 1 67 ? 4.962 1.043 0.920 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD1 20 -ATOM 31482 H HD2 . TYR A 1 67 ? 0.788 1.644 0.474 1.00 0.00 ? ? ? ? ? ? 64 TYR A HD2 20 -ATOM 31483 H HE1 . TYR A 1 67 ? 5.121 3.092 2.258 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE1 20 -ATOM 31484 H HE2 . TYR A 1 67 ? 0.930 3.691 1.789 1.00 0.00 ? ? ? ? ? ? 64 TYR A HE2 20 -ATOM 31485 H HH . TYR A 1 67 ? 3.896 5.159 2.586 1.00 0.00 ? ? ? ? ? ? 64 TYR A HH 20 -ATOM 31486 N N . GLN A 1 68 ? 5.328 -1.767 -0.126 1.00 0.00 ? ? ? ? ? ? 65 GLN A N 20 -ATOM 31487 C CA . GLN A 1 68 ? 6.749 -1.741 0.082 1.00 0.00 ? ? ? ? ? ? 65 GLN A CA 20 -ATOM 31488 C C . GLN A 1 68 ? 7.294 -0.531 -0.655 1.00 0.00 ? ? ? ? ? ? 65 GLN A C 20 -ATOM 31489 O O . GLN A 1 68 ? 6.802 -0.179 -1.737 1.00 0.00 ? ? ? ? ? ? 65 GLN A O 20 -ATOM 31490 C CB . GLN A 1 68 ? 7.446 -3.030 -0.418 1.00 0.00 ? ? ? ? ? ? 65 GLN A CB 20 -ATOM 31491 C CG . GLN A 1 68 ? 7.358 -3.263 -1.930 1.00 0.00 ? ? ? ? ? ? 65 GLN A CG 20 -ATOM 31492 C CD . GLN A 1 68 ? 8.139 -4.482 -2.412 1.00 0.00 ? ? ? ? ? ? 65 GLN A CD 20 -ATOM 31493 O OE1 . GLN A 1 68 ? 7.769 -5.115 -3.407 1.00 0.00 ? ? ? ? ? ? 65 GLN A OE1 20 -ATOM 31494 N NE2 . GLN A 1 68 ? 9.220 -4.811 -1.744 1.00 0.00 ? ? ? ? ? ? 65 GLN A NE2 20 -ATOM 31495 H H . GLN A 1 68 ? 4.985 -1.961 -1.029 1.00 0.00 ? ? ? ? ? ? 65 GLN A H 20 -ATOM 31496 H HA . GLN A 1 68 ? 6.925 -1.610 1.139 1.00 0.00 ? ? ? ? ? ? 65 GLN A HA 20 -ATOM 31497 H HB2 . GLN A 1 68 ? 8.492 -2.972 -0.153 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB2 20 -ATOM 31498 H HB3 . GLN A 1 68 ? 7.007 -3.878 0.086 1.00 0.00 ? ? ? ? ? ? 65 GLN A HB3 20 -ATOM 31499 H HG2 . GLN A 1 68 ? 6.321 -3.396 -2.198 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG2 20 -ATOM 31500 H HG3 . GLN A 1 68 ? 7.744 -2.386 -2.430 1.00 0.00 ? ? ? ? ? ? 65 GLN A HG3 20 -ATOM 31501 H HE21 . GLN A 1 68 ? 9.494 -4.273 -0.971 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE21 20 -ATOM 31502 H HE22 . GLN A 1 68 ? 9.736 -5.590 -2.047 1.00 0.00 ? ? ? ? ? ? 65 GLN A HE22 20 -ATOM 31503 N N . VAL A 1 69 ? 8.232 0.136 -0.081 1.00 0.00 ? ? ? ? ? ? 66 VAL A N 20 -ATOM 31504 C CA . VAL A 1 69 ? 8.825 1.259 -0.747 1.00 0.00 ? ? ? ? ? ? 66 VAL A CA 20 -ATOM 31505 C C . VAL A 1 69 ? 10.106 0.815 -1.391 1.00 0.00 ? ? ? ? ? ? 66 VAL A C 20 -ATOM 31506 O O . VAL A 1 69 ? 11.067 0.453 -0.707 1.00 0.00 ? ? ? ? ? ? 66 VAL A O 20 -ATOM 31507 C CB . VAL A 1 69 ? 9.080 2.464 0.206 1.00 0.00 ? ? ? ? ? ? 66 VAL A CB 20 -ATOM 31508 C CG1 . VAL A 1 69 ? 9.777 3.610 -0.531 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG1 20 -ATOM 31509 C CG2 . VAL A 1 69 ? 7.769 2.953 0.785 1.00 0.00 ? ? ? ? ? ? 66 VAL A CG2 20 -ATOM 31510 H H . VAL A 1 69 ? 8.561 -0.146 0.803 1.00 0.00 ? ? ? ? ? ? 66 VAL A H 20 -ATOM 31511 H HA . VAL A 1 69 ? 8.143 1.564 -1.528 1.00 0.00 ? ? ? ? ? ? 66 VAL A HA 20 -ATOM 31512 H HB . VAL A 1 69 ? 9.713 2.137 1.018 1.00 0.00 ? ? ? ? ? ? 66 VAL A HB 20 -ATOM 31513 H HG11 . VAL A 1 69 ? 9.158 3.939 -1.352 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG11 20 -ATOM 31514 H HG12 . VAL A 1 69 ? 10.726 3.266 -0.912 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG12 20 -ATOM 31515 H HG13 . VAL A 1 69 ? 9.938 4.432 0.152 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG13 20 -ATOM 31516 H HG21 . VAL A 1 69 ? 7.291 2.143 1.316 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG21 20 -ATOM 31517 H HG22 . VAL A 1 69 ? 7.122 3.296 -0.008 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG22 20 -ATOM 31518 H HG23 . VAL A 1 69 ? 7.963 3.763 1.472 1.00 0.00 ? ? ? ? ? ? 66 VAL A HG23 20 -ATOM 31519 N N . ILE A 1 70 ? 10.120 0.804 -2.691 1.00 0.00 ? ? ? ? ? ? 67 ILE A N 20 -ATOM 31520 C CA . ILE A 1 70 ? 11.279 0.399 -3.401 1.00 0.00 ? ? ? ? ? ? 67 ILE A CA 20 -ATOM 31521 C C . ILE A 1 70 ? 12.116 1.633 -3.669 1.00 0.00 ? ? ? ? ? ? 67 ILE A C 20 -ATOM 31522 O O . ILE A 1 70 ? 11.866 2.376 -4.627 1.00 0.00 ? ? ? ? ? ? 67 ILE A O 20 -ATOM 31523 C CB . ILE A 1 70 ? 10.937 -0.298 -4.743 1.00 0.00 ? ? ? ? ? ? 67 ILE A CB 20 -ATOM 31524 C CG1 . ILE A 1 70 ? 9.879 -1.400 -4.531 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG1 20 -ATOM 31525 C CG2 . ILE A 1 70 ? 12.207 -0.898 -5.338 1.00 0.00 ? ? ? ? ? ? 67 ILE A CG2 20 -ATOM 31526 C CD1 . ILE A 1 70 ? 9.441 -2.099 -5.808 1.00 0.00 ? ? ? ? ? ? 67 ILE A CD1 20 -ATOM 31527 H H . ILE A 1 70 ? 9.332 1.101 -3.201 1.00 0.00 ? ? ? ? ? ? 67 ILE A H 20 -ATOM 31528 H HA . ILE A 1 70 ? 11.834 -0.284 -2.776 1.00 0.00 ? ? ? ? ? ? 67 ILE A HA 20 -ATOM 31529 H HB . ILE A 1 70 ? 10.551 0.442 -5.428 1.00 0.00 ? ? ? ? ? ? 67 ILE A HB 20 -ATOM 31530 H HG12 . ILE A 1 70 ? 10.275 -2.152 -3.867 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG12 20 -ATOM 31531 H HG13 . ILE A 1 70 ? 9.003 -0.959 -4.078 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG13 20 -ATOM 31532 H HG21 . ILE A 1 70 ? 12.628 -1.608 -4.642 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG21 20 -ATOM 31533 H HG22 . ILE A 1 70 ? 12.922 -0.113 -5.531 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG22 20 -ATOM 31534 H HG23 . ILE A 1 70 ? 11.970 -1.402 -6.263 1.00 0.00 ? ? ? ? ? ? 67 ILE A HG23 20 -ATOM 31535 H HD11 . ILE A 1 70 ? 10.299 -2.553 -6.280 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD11 20 -ATOM 31536 H HD12 . ILE A 1 70 ? 9.001 -1.377 -6.480 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD12 20 -ATOM 31537 H HD13 . ILE A 1 70 ? 8.713 -2.860 -5.570 1.00 0.00 ? ? ? ? ? ? 67 ILE A HD13 20 -ATOM 31538 N N . ASP A 1 71 ? 13.082 1.864 -2.804 1.00 0.00 ? ? ? ? ? ? 68 ASP A N 20 -ATOM 31539 C CA . ASP A 1 71 ? 13.980 3.021 -2.889 1.00 0.00 ? ? ? ? ? ? 68 ASP A CA 20 -ATOM 31540 C C . ASP A 1 71 ? 14.835 2.952 -4.150 1.00 0.00 ? ? ? ? ? ? 68 ASP A C 20 -ATOM 31541 O O . ASP A 1 71 ? 15.163 3.966 -4.757 1.00 0.00 ? ? ? ? ? ? 68 ASP A O 20 -ATOM 31542 C CB . ASP A 1 71 ? 14.849 3.092 -1.618 1.00 0.00 ? ? ? ? ? ? 68 ASP A CB 20 -ATOM 31543 C CG . ASP A 1 71 ? 15.953 4.134 -1.668 1.00 0.00 ? ? ? ? ? ? 68 ASP A CG 20 -ATOM 31544 O OD1 . ASP A 1 71 ? 15.667 5.336 -1.668 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD1 20 -ATOM 31545 O OD2 . ASP A 1 71 ? 17.146 3.750 -1.663 1.00 0.00 ? ? ? ? ? ? 68 ASP A OD2 20 -ATOM 31546 H H . ASP A 1 71 ? 13.199 1.231 -2.061 1.00 0.00 ? ? ? ? ? ? 68 ASP A H 20 -ATOM 31547 H HA . ASP A 1 71 ? 13.365 3.906 -2.940 1.00 0.00 ? ? ? ? ? ? 68 ASP A HA 20 -ATOM 31548 H HB2 . ASP A 1 71 ? 14.214 3.325 -0.778 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB2 20 -ATOM 31549 H HB3 . ASP A 1 71 ? 15.296 2.123 -1.451 1.00 0.00 ? ? ? ? ? ? 68 ASP A HB3 20 -ATOM 31550 N N . GLU A 1 72 ? 15.119 1.734 -4.568 1.00 0.00 ? ? ? ? ? ? 69 GLU A N 20 -ATOM 31551 C CA . GLU A 1 72 ? 15.915 1.451 -5.764 1.00 0.00 ? ? ? ? ? ? 69 GLU A CA 20 -ATOM 31552 C C . GLU A 1 72 ? 15.255 2.020 -7.021 1.00 0.00 ? ? ? ? ? ? 69 GLU A C 20 -ATOM 31553 O O . GLU A 1 72 ? 15.921 2.552 -7.900 1.00 0.00 ? ? ? ? ? ? 69 GLU A O 20 -ATOM 31554 C CB . GLU A 1 72 ? 16.014 -0.046 -5.954 1.00 0.00 ? ? ? ? ? ? 69 GLU A CB 20 -ATOM 31555 C CG . GLU A 1 72 ? 16.592 -0.800 -4.790 1.00 0.00 ? ? ? ? ? ? 69 GLU A CG 20 -ATOM 31556 C CD . GLU A 1 72 ? 16.483 -2.273 -5.006 1.00 0.00 ? ? ? ? ? ? 69 GLU A CD 20 -ATOM 31557 O OE1 . GLU A 1 72 ? 17.329 -2.848 -5.716 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE1 20 -ATOM 31558 O OE2 . GLU A 1 72 ? 15.525 -2.881 -4.499 1.00 0.00 ? ? ? ? ? ? 69 GLU A OE2 20 -ATOM 31559 H H . GLU A 1 72 ? 14.792 0.986 -4.026 1.00 0.00 ? ? ? ? ? ? 69 GLU A H 20 -ATOM 31560 H HA . GLU A 1 72 ? 16.910 1.849 -5.640 1.00 0.00 ? ? ? ? ? ? 69 GLU A HA 20 -ATOM 31561 H HB2 . GLU A 1 72 ? 15.027 -0.438 -6.147 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB2 20 -ATOM 31562 H HB3 . GLU A 1 72 ? 16.632 -0.238 -6.818 1.00 0.00 ? ? ? ? ? ? 69 GLU A HB3 20 -ATOM 31563 H HG2 . GLU A 1 72 ? 17.632 -0.539 -4.673 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG2 20 -ATOM 31564 H HG3 . GLU A 1 72 ? 16.047 -0.543 -3.893 1.00 0.00 ? ? ? ? ? ? 69 GLU A HG3 20 -ATOM 31565 N N . LYS A 1 73 ? 13.948 1.903 -7.086 1.00 0.00 ? ? ? ? ? ? 70 LYS A N 20 -ATOM 31566 C CA . LYS A 1 73 ? 13.199 2.284 -8.271 1.00 0.00 ? ? ? ? ? ? 70 LYS A CA 20 -ATOM 31567 C C . LYS A 1 73 ? 12.416 3.569 -8.038 1.00 0.00 ? ? ? ? ? ? 70 LYS A C 20 -ATOM 31568 O O . LYS A 1 73 ? 11.789 4.095 -8.955 1.00 0.00 ? ? ? ? ? ? 70 LYS A O 20 -ATOM 31569 C CB . LYS A 1 73 ? 12.252 1.143 -8.649 1.00 0.00 ? ? ? ? ? ? 70 LYS A CB 20 -ATOM 31570 C CG . LYS A 1 73 ? 12.954 -0.169 -8.949 1.00 0.00 ? ? ? ? ? ? 70 LYS A CG 20 -ATOM 31571 C CD . LYS A 1 73 ? 11.968 -1.310 -9.123 1.00 0.00 ? ? ? ? ? ? 70 LYS A CD 20 -ATOM 31572 C CE . LYS A 1 73 ? 12.696 -2.630 -9.311 1.00 0.00 ? ? ? ? ? ? 70 LYS A CE 20 -ATOM 31573 N NZ . LYS A 1 73 ? 11.771 -3.777 -9.345 1.00 0.00 ? ? ? ? ? ? 70 LYS A NZ 20 -ATOM 31574 H H . LYS A 1 73 ? 13.465 1.559 -6.306 1.00 0.00 ? ? ? ? ? ? 70 LYS A H 20 -ATOM 31575 H HA . LYS A 1 73 ? 13.897 2.432 -9.081 1.00 0.00 ? ? ? ? ? ? 70 LYS A HA 20 -ATOM 31576 H HB2 . LYS A 1 73 ? 11.611 0.962 -7.800 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB2 20 -ATOM 31577 H HB3 . LYS A 1 73 ? 11.660 1.427 -9.506 1.00 0.00 ? ? ? ? ? ? 70 LYS A HB3 20 -ATOM 31578 H HG2 . LYS A 1 73 ? 13.523 -0.061 -9.861 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG2 20 -ATOM 31579 H HG3 . LYS A 1 73 ? 13.623 -0.402 -8.133 1.00 0.00 ? ? ? ? ? ? 70 LYS A HG3 20 -ATOM 31580 H HD2 . LYS A 1 73 ? 11.333 -1.374 -8.251 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD2 20 -ATOM 31581 H HD3 . LYS A 1 73 ? 11.359 -1.119 -9.995 1.00 0.00 ? ? ? ? ? ? 70 LYS A HD3 20 -ATOM 31582 H HE2 . LYS A 1 73 ? 13.242 -2.594 -10.241 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE2 20 -ATOM 31583 H HE3 . LYS A 1 73 ? 13.392 -2.757 -8.494 1.00 0.00 ? ? ? ? ? ? 70 LYS A HE3 20 -ATOM 31584 H HZ1 . LYS A 1 73 ? 11.088 -3.718 -10.126 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ1 20 -ATOM 31585 H HZ2 . LYS A 1 73 ? 11.216 -3.859 -8.468 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ2 20 -ATOM 31586 H HZ3 . LYS A 1 73 ? 12.291 -4.670 -9.450 1.00 0.00 ? ? ? ? ? ? 70 LYS A HZ3 20 -ATOM 31587 N N . VAL A 1 74 ? 12.459 4.060 -6.792 1.00 0.00 ? ? ? ? ? ? 71 VAL A N 20 -ATOM 31588 C CA . VAL A 1 74 ? 11.752 5.279 -6.366 1.00 0.00 ? ? ? ? ? ? 71 VAL A CA 20 -ATOM 31589 C C . VAL A 1 74 ? 10.218 5.091 -6.572 1.00 0.00 ? ? ? ? ? ? 71 VAL A C 20 -ATOM 31590 O O . VAL A 1 74 ? 9.476 5.994 -6.972 1.00 0.00 ? ? ? ? ? ? 71 VAL A O 20 -ATOM 31591 C CB . VAL A 1 74 ? 12.314 6.557 -7.110 1.00 0.00 ? ? ? ? ? ? 71 VAL A CB 20 -ATOM 31592 C CG1 . VAL A 1 74 ? 11.711 7.854 -6.573 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG1 20 -ATOM 31593 C CG2 . VAL A 1 74 ? 13.831 6.614 -6.981 1.00 0.00 ? ? ? ? ? ? 71 VAL A CG2 20 -ATOM 31594 H H . VAL A 1 74 ? 12.992 3.583 -6.122 1.00 0.00 ? ? ? ? ? ? 71 VAL A H 20 -ATOM 31595 H HA . VAL A 1 74 ? 11.927 5.373 -5.303 1.00 0.00 ? ? ? ? ? ? 71 VAL A HA 20 -ATOM 31596 H HB . VAL A 1 74 ? 12.071 6.476 -8.159 1.00 0.00 ? ? ? ? ? ? 71 VAL A HB 20 -ATOM 31597 H HG11 . VAL A 1 74 ? 10.641 7.835 -6.716 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG11 20 -ATOM 31598 H HG12 . VAL A 1 74 ? 12.132 8.696 -7.101 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG12 20 -ATOM 31599 H HG13 . VAL A 1 74 ? 11.931 7.944 -5.519 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG13 20 -ATOM 31600 H HG21 . VAL A 1 74 ? 14.102 6.627 -5.937 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG21 20 -ATOM 31601 H HG22 . VAL A 1 74 ? 14.194 7.516 -7.449 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG22 20 -ATOM 31602 H HG23 . VAL A 1 74 ? 14.270 5.751 -7.458 1.00 0.00 ? ? ? ? ? ? 71 VAL A HG23 20 -ATOM 31603 N N . VAL A 1 75 ? 9.748 3.918 -6.232 1.00 0.00 ? ? ? ? ? ? 72 VAL A N 20 -ATOM 31604 C CA . VAL A 1 75 ? 8.357 3.600 -6.401 1.00 0.00 ? ? ? ? ? ? 72 VAL A CA 20 -ATOM 31605 C C . VAL A 1 75 ? 7.822 2.890 -5.165 1.00 0.00 ? ? ? ? ? ? 72 VAL A C 20 -ATOM 31606 O O . VAL A 1 75 ? 8.508 2.073 -4.545 1.00 0.00 ? ? ? ? ? ? 72 VAL A O 20 -ATOM 31607 C CB . VAL A 1 75 ? 8.098 2.743 -7.701 1.00 0.00 ? ? ? ? ? ? 72 VAL A CB 20 -ATOM 31608 C CG1 . VAL A 1 75 ? 8.800 1.403 -7.641 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG1 20 -ATOM 31609 C CG2 . VAL A 1 75 ? 6.609 2.547 -7.965 1.00 0.00 ? ? ? ? ? ? 72 VAL A CG2 20 -ATOM 31610 H H . VAL A 1 75 ? 10.341 3.256 -5.816 1.00 0.00 ? ? ? ? ? ? 72 VAL A H 20 -ATOM 31611 H HA . VAL A 1 75 ? 7.829 4.537 -6.499 1.00 0.00 ? ? ? ? ? ? 72 VAL A HA 20 -ATOM 31612 H HB . VAL A 1 75 ? 8.519 3.289 -8.533 1.00 0.00 ? ? ? ? ? ? 72 VAL A HB 20 -ATOM 31613 H HG11 . VAL A 1 75 ? 8.401 0.823 -6.822 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG11 20 -ATOM 31614 H HG12 . VAL A 1 75 ? 9.848 1.584 -7.462 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG12 20 -ATOM 31615 H HG13 . VAL A 1 75 ? 8.667 0.873 -8.572 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG13 20 -ATOM 31616 H HG21 . VAL A 1 75 ? 6.130 3.508 -8.085 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG21 20 -ATOM 31617 H HG22 . VAL A 1 75 ? 6.164 2.028 -7.128 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG22 20 -ATOM 31618 H HG23 . VAL A 1 75 ? 6.474 1.961 -8.862 1.00 0.00 ? ? ? ? ? ? 72 VAL A HG23 20 -ATOM 31619 N N . VAL A 1 76 ? 6.651 3.254 -4.793 1.00 0.00 ? ? ? ? ? ? 73 VAL A N 20 -ATOM 31620 C CA . VAL A 1 76 ? 5.939 2.661 -3.722 1.00 0.00 ? ? ? ? ? ? 73 VAL A CA 20 -ATOM 31621 C C . VAL A 1 76 ? 5.047 1.588 -4.334 1.00 0.00 ? ? ? ? ? ? 73 VAL A C 20 -ATOM 31622 O O . VAL A 1 76 ? 4.160 1.890 -5.141 1.00 0.00 ? ? ? ? ? ? 73 VAL A O 20 -ATOM 31623 C CB . VAL A 1 76 ? 5.090 3.729 -2.996 1.00 0.00 ? ? ? ? ? ? 73 VAL A CB 20 -ATOM 31624 C CG1 . VAL A 1 76 ? 4.298 3.124 -1.874 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG1 20 -ATOM 31625 C CG2 . VAL A 1 76 ? 5.974 4.853 -2.472 1.00 0.00 ? ? ? ? ? ? 73 VAL A CG2 20 -ATOM 31626 H H . VAL A 1 76 ? 6.200 3.976 -5.284 1.00 0.00 ? ? ? ? ? ? 73 VAL A H 20 -ATOM 31627 H HA . VAL A 1 76 ? 6.641 2.216 -3.032 1.00 0.00 ? ? ? ? ? ? 73 VAL A HA 20 -ATOM 31628 H HB . VAL A 1 76 ? 4.401 4.153 -3.710 1.00 0.00 ? ? ? ? ? ? 73 VAL A HB 20 -ATOM 31629 H HG11 . VAL A 1 76 ? 4.971 2.672 -1.161 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG11 20 -ATOM 31630 H HG12 . VAL A 1 76 ? 3.635 2.368 -2.270 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG12 20 -ATOM 31631 H HG13 . VAL A 1 76 ? 3.722 3.894 -1.385 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG13 20 -ATOM 31632 H HG21 . VAL A 1 76 ? 6.706 4.448 -1.789 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG21 20 -ATOM 31633 H HG22 . VAL A 1 76 ? 5.366 5.580 -1.956 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG22 20 -ATOM 31634 H HG23 . VAL A 1 76 ? 6.480 5.328 -3.299 1.00 0.00 ? ? ? ? ? ? 73 VAL A HG23 20 -ATOM 31635 N N . PHE A 1 77 ? 5.306 0.366 -3.992 1.00 0.00 ? ? ? ? ? ? 74 PHE A N 20 -ATOM 31636 C CA . PHE A 1 77 ? 4.640 -0.757 -4.590 1.00 0.00 ? ? ? ? ? ? 74 PHE A CA 20 -ATOM 31637 C C . PHE A 1 77 ? 3.652 -1.367 -3.606 1.00 0.00 ? ? ? ? ? ? 74 PHE A C 20 -ATOM 31638 O O . PHE A 1 77 ? 4.049 -1.945 -2.588 1.00 0.00 ? ? ? ? ? ? 74 PHE A O 20 -ATOM 31639 C CB . PHE A 1 77 ? 5.706 -1.777 -5.014 1.00 0.00 ? ? ? ? ? ? 74 PHE A CB 20 -ATOM 31640 C CG . PHE A 1 77 ? 5.204 -2.996 -5.731 1.00 0.00 ? ? ? ? ? ? 74 PHE A CG 20 -ATOM 31641 C CD1 . PHE A 1 77 ? 4.987 -2.967 -7.096 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD1 20 -ATOM 31642 C CD2 . PHE A 1 77 ? 4.985 -4.179 -5.046 1.00 0.00 ? ? ? ? ? ? 74 PHE A CD2 20 -ATOM 31643 C CE1 . PHE A 1 77 ? 4.559 -4.094 -7.763 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE1 20 -ATOM 31644 C CE2 . PHE A 1 77 ? 4.553 -5.305 -5.704 1.00 0.00 ? ? ? ? ? ? 74 PHE A CE2 20 -ATOM 31645 C CZ . PHE A 1 77 ? 4.343 -5.265 -7.066 1.00 0.00 ? ? ? ? ? ? 74 PHE A CZ 20 -ATOM 31646 H H . PHE A 1 77 ? 5.964 0.190 -3.280 1.00 0.00 ? ? ? ? ? ? 74 PHE A H 20 -ATOM 31647 H HA . PHE A 1 77 ? 4.115 -0.421 -5.471 1.00 0.00 ? ? ? ? ? ? 74 PHE A HA 20 -ATOM 31648 H HB2 . PHE A 1 77 ? 6.408 -1.288 -5.673 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB2 20 -ATOM 31649 H HB3 . PHE A 1 77 ? 6.236 -2.102 -4.132 1.00 0.00 ? ? ? ? ? ? 74 PHE A HB3 20 -ATOM 31650 H HD1 . PHE A 1 77 ? 5.154 -2.051 -7.643 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD1 20 -ATOM 31651 H HD2 . PHE A 1 77 ? 5.149 -4.211 -3.979 1.00 0.00 ? ? ? ? ? ? 74 PHE A HD2 20 -ATOM 31652 H HE1 . PHE A 1 77 ? 4.394 -4.060 -8.830 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE1 20 -ATOM 31653 H HE2 . PHE A 1 77 ? 4.384 -6.219 -5.156 1.00 0.00 ? ? ? ? ? ? 74 PHE A HE2 20 -ATOM 31654 H HZ . PHE A 1 77 ? 4.008 -6.152 -7.583 1.00 0.00 ? ? ? ? ? ? 74 PHE A HZ 20 -ATOM 31655 N N . VAL A 1 78 ? 2.381 -1.208 -3.894 1.00 0.00 ? ? ? ? ? ? 75 VAL A N 20 -ATOM 31656 C CA . VAL A 1 78 ? 1.326 -1.749 -3.061 1.00 0.00 ? ? ? ? ? ? 75 VAL A CA 20 -ATOM 31657 C C . VAL A 1 78 ? 1.256 -3.257 -3.234 1.00 0.00 ? ? ? ? ? ? 75 VAL A C 20 -ATOM 31658 O O . VAL A 1 78 ? 1.102 -3.750 -4.347 1.00 0.00 ? ? ? ? ? ? 75 VAL A O 20 -ATOM 31659 C CB . VAL A 1 78 ? -0.048 -1.108 -3.396 1.00 0.00 ? ? ? ? ? ? 75 VAL A CB 20 -ATOM 31660 C CG1 . VAL A 1 78 ? -1.153 -1.655 -2.498 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG1 20 -ATOM 31661 C CG2 . VAL A 1 78 ? 0.031 0.411 -3.296 1.00 0.00 ? ? ? ? ? ? 75 VAL A CG2 20 -ATOM 31662 H H . VAL A 1 78 ? 2.137 -0.705 -4.705 1.00 0.00 ? ? ? ? ? ? 75 VAL A H 20 -ATOM 31663 H HA . VAL A 1 78 ? 1.571 -1.536 -2.032 1.00 0.00 ? ? ? ? ? ? 75 VAL A HA 20 -ATOM 31664 H HB . VAL A 1 78 ? -0.298 -1.365 -4.414 1.00 0.00 ? ? ? ? ? ? 75 VAL A HB 20 -ATOM 31665 H HG11 . VAL A 1 78 ? -2.092 -1.183 -2.749 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG11 20 -ATOM 31666 H HG12 . VAL A 1 78 ? -0.913 -1.452 -1.465 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG12 20 -ATOM 31667 H HG13 . VAL A 1 78 ? -1.237 -2.722 -2.643 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG13 20 -ATOM 31668 H HG21 . VAL A 1 78 ? 0.372 0.696 -2.312 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG21 20 -ATOM 31669 H HG22 . VAL A 1 78 ? -0.946 0.835 -3.474 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG22 20 -ATOM 31670 H HG23 . VAL A 1 78 ? 0.722 0.784 -4.037 1.00 0.00 ? ? ? ? ? ? 75 VAL A HG23 20 -ATOM 31671 N N . ILE A 1 79 ? 1.379 -3.973 -2.138 1.00 0.00 ? ? ? ? ? ? 76 ILE A N 20 -ATOM 31672 C CA . ILE A 1 79 ? 1.378 -5.422 -2.163 1.00 0.00 ? ? ? ? ? ? 76 ILE A CA 20 -ATOM 31673 C C . ILE A 1 79 ? -0.050 -5.937 -2.013 1.00 0.00 ? ? ? ? ? ? 76 ILE A C 20 -ATOM 31674 O O . ILE A 1 79 ? -0.471 -6.877 -2.689 1.00 0.00 ? ? ? ? ? ? 76 ILE A O 20 -ATOM 31675 C CB . ILE A 1 79 ? 2.232 -5.997 -0.994 1.00 0.00 ? ? ? ? ? ? 76 ILE A CB 20 -ATOM 31676 C CG1 . ILE A 1 79 ? 3.666 -5.439 -1.040 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG1 20 -ATOM 31677 C CG2 . ILE A 1 79 ? 2.252 -7.527 -1.041 1.00 0.00 ? ? ? ? ? ? 76 ILE A CG2 20 -ATOM 31678 C CD1 . ILE A 1 79 ? 4.528 -5.861 0.139 1.00 0.00 ? ? ? ? ? ? 76 ILE A CD1 20 -ATOM 31679 H H . ILE A 1 79 ? 1.465 -3.511 -1.275 1.00 0.00 ? ? ? ? ? ? 76 ILE A H 20 -ATOM 31680 H HA . ILE A 1 79 ? 1.796 -5.759 -3.100 1.00 0.00 ? ? ? ? ? ? 76 ILE A HA 20 -ATOM 31681 H HB . ILE A 1 79 ? 1.770 -5.697 -0.066 1.00 0.00 ? ? ? ? ? ? 76 ILE A HB 20 -ATOM 31682 H HG12 . ILE A 1 79 ? 4.150 -5.784 -1.941 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG12 20 -ATOM 31683 H HG13 . ILE A 1 79 ? 3.622 -4.360 -1.054 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG13 20 -ATOM 31684 H HG21 . ILE A 1 79 ? 2.678 -7.853 -1.977 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG21 20 -ATOM 31685 H HG22 . ILE A 1 79 ? 1.245 -7.907 -0.952 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG22 20 -ATOM 31686 H HG23 . ILE A 1 79 ? 2.849 -7.902 -0.225 1.00 0.00 ? ? ? ? ? ? 76 ILE A HG23 20 -ATOM 31687 H HD11 . ILE A 1 79 ? 4.591 -6.939 0.173 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD11 20 -ATOM 31688 H HD12 . ILE A 1 79 ? 4.080 -5.507 1.058 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD12 20 -ATOM 31689 H HD13 . ILE A 1 79 ? 5.519 -5.446 0.037 1.00 0.00 ? ? ? ? ? ? 76 ILE A HD13 20 -ATOM 31690 N N . SER A 1 80 ? -0.793 -5.323 -1.121 1.00 0.00 ? ? ? ? ? ? 77 SER A N 20 -ATOM 31691 C CA . SER A 1 80 ? -2.148 -5.732 -0.839 1.00 0.00 ? ? ? ? ? ? 77 SER A CA 20 -ATOM 31692 C C . SER A 1 80 ? -2.952 -4.565 -0.292 1.00 0.00 ? ? ? ? ? ? 77 SER A C 20 -ATOM 31693 O O . SER A 1 80 ? -2.397 -3.659 0.351 1.00 0.00 ? ? ? ? ? ? 77 SER A O 20 -ATOM 31694 C CB . SER A 1 80 ? -2.155 -6.909 0.157 1.00 0.00 ? ? ? ? ? ? 77 SER A CB 20 -ATOM 31695 O OG . SER A 1 80 ? -1.526 -8.060 -0.404 1.00 0.00 ? ? ? ? ? ? 77 SER A OG 20 -ATOM 31696 H H . SER A 1 80 ? -0.439 -4.552 -0.624 1.00 0.00 ? ? ? ? ? ? 77 SER A H 20 -ATOM 31697 H HA . SER A 1 80 ? -2.596 -6.061 -1.765 1.00 0.00 ? ? ? ? ? ? 77 SER A HA 20 -ATOM 31698 H HB2 . SER A 1 80 ? -1.600 -6.620 1.038 1.00 0.00 ? ? ? ? ? ? 77 SER A HB2 20 -ATOM 31699 H HB3 . SER A 1 80 ? -3.172 -7.157 0.425 1.00 0.00 ? ? ? ? ? ? 77 SER A HB3 20 -ATOM 31700 H HG . SER A 1 80 ? -1.147 -7.769 -1.248 1.00 0.00 ? ? ? ? ? ? 77 SER A HG 20 -ATOM 31701 N N . VAL A 1 81 ? -4.236 -4.578 -0.560 1.00 0.00 ? ? ? ? ? ? 78 VAL A N 20 -ATOM 31702 C CA . VAL A 1 81 ? -5.140 -3.552 -0.112 1.00 0.00 ? ? ? ? ? ? 78 VAL A CA 20 -ATOM 31703 C C . VAL A 1 81 ? -6.489 -4.200 0.210 1.00 0.00 ? ? ? ? ? ? 78 VAL A C 20 -ATOM 31704 O O . VAL A 1 81 ? -6.955 -5.072 -0.530 1.00 0.00 ? ? ? ? ? ? 78 VAL A O 20 -ATOM 31705 C CB . VAL A 1 81 ? -5.291 -2.415 -1.185 1.00 0.00 ? ? ? ? ? ? 78 VAL A CB 20 -ATOM 31706 C CG1 . VAL A 1 81 ? -5.804 -2.942 -2.522 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG1 20 -ATOM 31707 C CG2 . VAL A 1 81 ? -6.169 -1.285 -0.679 1.00 0.00 ? ? ? ? ? ? 78 VAL A CG2 20 -ATOM 31708 H H . VAL A 1 81 ? -4.635 -5.313 -1.075 1.00 0.00 ? ? ? ? ? ? 78 VAL A H 20 -ATOM 31709 H HA . VAL A 1 81 ? -4.735 -3.133 0.799 1.00 0.00 ? ? ? ? ? ? 78 VAL A HA 20 -ATOM 31710 H HB . VAL A 1 81 ? -4.303 -2.017 -1.370 1.00 0.00 ? ? ? ? ? ? 78 VAL A HB 20 -ATOM 31711 H HG11 . VAL A 1 81 ? -5.109 -3.671 -2.911 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG11 20 -ATOM 31712 H HG12 . VAL A 1 81 ? -5.902 -2.127 -3.223 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG12 20 -ATOM 31713 H HG13 . VAL A 1 81 ? -6.767 -3.409 -2.378 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG13 20 -ATOM 31714 H HG21 . VAL A 1 81 ? -5.731 -0.863 0.213 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG21 20 -ATOM 31715 H HG22 . VAL A 1 81 ? -7.153 -1.668 -0.454 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG22 20 -ATOM 31716 H HG23 . VAL A 1 81 ? -6.244 -0.521 -1.439 1.00 0.00 ? ? ? ? ? ? 78 VAL A HG23 20 -ATOM 31717 N N . GLY A 1 82 ? -7.064 -3.851 1.323 1.00 0.00 ? ? ? ? ? ? 79 GLY A N 20 -ATOM 31718 C CA . GLY A 1 82 ? -8.329 -4.421 1.699 1.00 0.00 ? ? ? ? ? ? 79 GLY A CA 20 -ATOM 31719 C C . GLY A 1 82 ? -8.465 -4.503 3.187 1.00 0.00 ? ? ? ? ? ? 79 GLY A C 20 -ATOM 31720 O O . GLY A 1 82 ? -7.935 -3.663 3.902 1.00 0.00 ? ? ? ? ? ? 79 GLY A O 20 -ATOM 31721 H H . GLY A 1 82 ? -6.627 -3.206 1.928 1.00 0.00 ? ? ? ? ? ? 79 GLY A H 20 -ATOM 31722 H HA2 . GLY A 1 82 ? -9.132 -3.829 1.288 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA2 20 -ATOM 31723 H HA3 . GLY A 1 82 ? -8.389 -5.420 1.293 1.00 0.00 ? ? ? ? ? ? 79 GLY A HA3 20 -ATOM 31724 N N . LYS A 1 83 ? -9.154 -5.491 3.666 1.00 0.00 ? ? ? ? ? ? 80 LYS A N 20 -ATOM 31725 C CA . LYS A 1 83 ? -9.311 -5.654 5.084 1.00 0.00 ? ? ? ? ? ? 80 LYS A CA 20 -ATOM 31726 C C . LYS A 1 83 ? -8.236 -6.578 5.631 1.00 0.00 ? ? ? ? ? ? 80 LYS A C 20 -ATOM 31727 O O . LYS A 1 83 ? -7.835 -7.539 4.978 1.00 0.00 ? ? ? ? ? ? 80 LYS A O 20 -ATOM 31728 C CB . LYS A 1 83 ? -10.721 -6.146 5.444 1.00 0.00 ? ? ? ? ? ? 80 LYS A CB 20 -ATOM 31729 C CG . LYS A 1 83 ? -11.823 -5.179 5.008 1.00 0.00 ? ? ? ? ? ? 80 LYS A CG 20 -ATOM 31730 C CD . LYS A 1 83 ? -13.207 -5.581 5.518 1.00 0.00 ? ? ? ? ? ? 80 LYS A CD 20 -ATOM 31731 C CE . LYS A 1 83 ? -13.684 -6.916 4.961 1.00 0.00 ? ? ? ? ? ? 80 LYS A CE 20 -ATOM 31732 N NZ . LYS A 1 83 ? -15.045 -7.253 5.443 1.00 0.00 ? ? ? ? ? ? 80 LYS A NZ 20 -ATOM 31733 H H . LYS A 1 83 ? -9.563 -6.143 3.057 1.00 0.00 ? ? ? ? ? ? 80 LYS A H 20 -ATOM 31734 H HA . LYS A 1 83 ? -9.158 -4.680 5.527 1.00 0.00 ? ? ? ? ? ? 80 LYS A HA 20 -ATOM 31735 H HB2 . LYS A 1 83 ? -10.889 -7.099 4.965 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB2 20 -ATOM 31736 H HB3 . LYS A 1 83 ? -10.785 -6.273 6.515 1.00 0.00 ? ? ? ? ? ? 80 LYS A HB3 20 -ATOM 31737 H HG2 . LYS A 1 83 ? -11.590 -4.196 5.393 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG2 20 -ATOM 31738 H HG3 . LYS A 1 83 ? -11.842 -5.140 3.929 1.00 0.00 ? ? ? ? ? ? 80 LYS A HG3 20 -ATOM 31739 H HD2 . LYS A 1 83 ? -13.164 -5.658 6.595 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD2 20 -ATOM 31740 H HD3 . LYS A 1 83 ? -13.913 -4.811 5.244 1.00 0.00 ? ? ? ? ? ? 80 LYS A HD3 20 -ATOM 31741 H HE2 . LYS A 1 83 ? -13.699 -6.859 3.882 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE2 20 -ATOM 31742 H HE3 . LYS A 1 83 ? -12.999 -7.690 5.271 1.00 0.00 ? ? ? ? ? ? 80 LYS A HE3 20 -ATOM 31743 H HZ1 . LYS A 1 83 ? -15.743 -6.550 5.124 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ1 20 -ATOM 31744 H HZ2 . LYS A 1 83 ? -15.069 -7.292 6.483 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ2 20 -ATOM 31745 H HZ3 . LYS A 1 83 ? -15.326 -8.185 5.078 1.00 0.00 ? ? ? ? ? ? 80 LYS A HZ3 20 -ATOM 31746 N N . ALA A 1 84 ? -7.747 -6.255 6.792 1.00 0.00 ? ? ? ? ? ? 81 ALA A N 20 -ATOM 31747 C CA . ALA A 1 84 ? -6.720 -7.011 7.441 1.00 0.00 ? ? ? ? ? ? 81 ALA A CA 20 -ATOM 31748 C C . ALA A 1 84 ? -7.098 -7.141 8.882 1.00 0.00 ? ? ? ? ? ? 81 ALA A C 20 -ATOM 31749 O O . ALA A 1 84 ? -7.208 -6.133 9.587 1.00 0.00 ? ? ? ? ? ? 81 ALA A O 20 -ATOM 31750 C CB . ALA A 1 84 ? -5.391 -6.289 7.321 1.00 0.00 ? ? ? ? ? ? 81 ALA A CB 20 -ATOM 31751 H H . ALA A 1 84 ? -8.097 -5.483 7.282 1.00 0.00 ? ? ? ? ? ? 81 ALA A H 20 -ATOM 31752 H HA . ALA A 1 84 ? -6.639 -7.980 6.971 1.00 0.00 ? ? ? ? ? ? 81 ALA A HA 20 -ATOM 31753 H HB1 . ALA A 1 84 ? -4.626 -6.855 7.830 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB1 20 -ATOM 31754 H HB2 . ALA A 1 84 ? -5.472 -5.312 7.774 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB2 20 -ATOM 31755 H HB3 . ALA A 1 84 ? -5.129 -6.185 6.278 1.00 0.00 ? ? ? ? ? ? 81 ALA A HB3 20 -ATOM 31756 N N . GLU A 1 85 ? -7.321 -8.333 9.326 1.00 0.00 ? ? ? ? ? ? 82 GLU A N 20 -ATOM 31757 C CA . GLU A 1 85 ? -7.753 -8.527 10.673 1.00 0.00 ? ? ? ? ? ? 82 GLU A CA 20 -ATOM 31758 C C . GLU A 1 85 ? -6.573 -8.965 11.523 1.00 0.00 ? ? ? ? ? ? 82 GLU A C 20 -ATOM 31759 O O . GLU A 1 85 ? -6.328 -8.425 12.607 1.00 0.00 ? ? ? ? ? ? 82 GLU A O 20 -ATOM 31760 C CB . GLU A 1 85 ? -8.889 -9.550 10.723 1.00 0.00 ? ? ? ? ? ? 82 GLU A CB 20 -ATOM 31761 C CG . GLU A 1 85 ? -9.590 -9.639 12.067 1.00 0.00 ? ? ? ? ? ? 82 GLU A CG 20 -ATOM 31762 C CD . GLU A 1 85 ? -10.250 -8.336 12.461 1.00 0.00 ? ? ? ? ? ? 82 GLU A CD 20 -ATOM 31763 O OE1 . GLU A 1 85 ? -9.595 -7.490 13.097 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE1 20 -ATOM 31764 O OE2 . GLU A 1 85 ? -11.446 -8.133 12.146 1.00 0.00 ? ? ? ? ? ? 82 GLU A OE2 20 -ATOM 31765 H H . GLU A 1 85 ? -7.170 -9.122 8.753 1.00 0.00 ? ? ? ? ? ? 82 GLU A H 20 -ATOM 31766 H HA . GLU A 1 85 ? -8.114 -7.580 11.043 1.00 0.00 ? ? ? ? ? ? 82 GLU A HA 20 -ATOM 31767 H HB2 . GLU A 1 85 ? -9.625 -9.288 9.976 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB2 20 -ATOM 31768 H HB3 . GLU A 1 85 ? -8.477 -10.520 10.487 1.00 0.00 ? ? ? ? ? ? 82 GLU A HB3 20 -ATOM 31769 H HG2 . GLU A 1 85 ? -10.347 -10.408 12.023 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG2 20 -ATOM 31770 H HG3 . GLU A 1 85 ? -8.858 -9.898 12.818 1.00 0.00 ? ? ? ? ? ? 82 GLU A HG3 20 -ATOM 31771 N N . ALA A 1 86 ? -5.810 -9.898 11.020 1.00 0.00 ? ? ? ? ? ? 83 ALA A N 20 -ATOM 31772 C CA . ALA A 1 86 ? -4.680 -10.394 11.756 1.00 0.00 ? ? ? ? ? ? 83 ALA A CA 20 -ATOM 31773 C C . ALA A 1 86 ? -3.456 -10.583 10.883 1.00 0.00 ? ? ? ? ? ? 83 ALA A C 20 -ATOM 31774 O O . ALA A 1 86 ? -2.401 -10.028 11.178 1.00 0.00 ? ? ? ? ? ? 83 ALA A O 20 -ATOM 31775 C CB . ALA A 1 86 ? -5.023 -11.678 12.483 1.00 0.00 ? ? ? ? ? ? 83 ALA A CB 20 -ATOM 31776 H H . ALA A 1 86 ? -6.018 -10.246 10.118 1.00 0.00 ? ? ? ? ? ? 83 ALA A H 20 -ATOM 31777 H HA . ALA A 1 86 ? -4.442 -9.652 12.504 1.00 0.00 ? ? ? ? ? ? 83 ALA A HA 20 -ATOM 31778 H HB1 . ALA A 1 86 ? -5.908 -11.529 13.085 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB1 20 -ATOM 31779 H HB2 . ALA A 1 86 ? -4.197 -11.960 13.117 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB2 20 -ATOM 31780 H HB3 . ALA A 1 86 ? -5.202 -12.457 11.760 1.00 0.00 ? ? ? ? ? ? 83 ALA A HB3 20 -ATOM 31781 N N . SER A 1 87 ? -3.574 -11.330 9.809 1.00 0.00 ? ? ? ? ? ? 84 SER A N 20 -ATOM 31782 C CA . SER A 1 87 ? -2.393 -11.632 9.024 1.00 0.00 ? ? ? ? ? ? 84 SER A CA 20 -ATOM 31783 C C . SER A 1 87 ? -2.672 -11.718 7.529 1.00 0.00 ? ? ? ? ? ? 84 SER A C 20 -ATOM 31784 O O . SER A 1 87 ? -1.775 -12.048 6.756 1.00 0.00 ? ? ? ? ? ? 84 SER A O 20 -ATOM 31785 C CB . SER A 1 87 ? -1.807 -12.945 9.522 1.00 0.00 ? ? ? ? ? ? 84 SER A CB 20 -ATOM 31786 O OG . SER A 1 87 ? -2.793 -13.978 9.489 1.00 0.00 ? ? ? ? ? ? 84 SER A OG 20 -ATOM 31787 H H . SER A 1 87 ? -4.446 -11.701 9.548 1.00 0.00 ? ? ? ? ? ? 84 SER A H 20 -ATOM 31788 H HA . SER A 1 87 ? -1.662 -10.861 9.213 1.00 0.00 ? ? ? ? ? ? 84 SER A HA 20 -ATOM 31789 H HB2 . SER A 1 87 ? -0.981 -13.224 8.885 1.00 0.00 ? ? ? ? ? ? 84 SER A HB2 20 -ATOM 31790 H HB3 . SER A 1 87 ? -1.459 -12.825 10.537 1.00 0.00 ? ? ? ? ? ? 84 SER A HB3 20 -ATOM 31791 H HG . SER A 1 87 ? -2.881 -14.274 8.573 1.00 0.00 ? ? ? ? ? ? 84 SER A HG 20 -ATOM 31792 N N . GLU A 1 88 ? -3.867 -11.329 7.125 1.00 0.00 ? ? ? ? ? ? 85 GLU A N 20 -ATOM 31793 C CA . GLU A 1 88 ? -4.357 -11.502 5.751 1.00 0.00 ? ? ? ? ? ? 85 GLU A CA 20 -ATOM 31794 C C . GLU A 1 88 ? -3.440 -10.844 4.732 1.00 0.00 ? ? ? ? ? ? 85 GLU A C 20 -ATOM 31795 O O . GLU A 1 88 ? -3.032 -11.457 3.767 1.00 0.00 ? ? ? ? ? ? 85 GLU A O 20 -ATOM 31796 C CB . GLU A 1 88 ? -5.773 -10.907 5.617 1.00 0.00 ? ? ? ? ? ? 85 GLU A CB 20 -ATOM 31797 C CG . GLU A 1 88 ? -6.891 -11.629 6.386 1.00 0.00 ? ? ? ? ? ? 85 GLU A CG 20 -ATOM 31798 C CD . GLU A 1 88 ? -6.643 -11.741 7.868 1.00 0.00 ? ? ? ? ? ? 85 GLU A CD 20 -ATOM 31799 O OE1 . GLU A 1 88 ? -6.201 -10.744 8.494 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE1 20 -ATOM 31800 O OE2 . GLU A 1 88 ? -6.807 -12.836 8.423 1.00 0.00 ? ? ? ? ? ? 85 GLU A OE2 20 -ATOM 31801 H H . GLU A 1 88 ? -4.500 -10.920 7.760 1.00 0.00 ? ? ? ? ? ? 85 GLU A H 20 -ATOM 31802 H HA . GLU A 1 88 ? -4.417 -12.560 5.545 1.00 0.00 ? ? ? ? ? ? 85 GLU A HA 20 -ATOM 31803 H HB2 . GLU A 1 88 ? -5.743 -9.886 5.968 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB2 20 -ATOM 31804 H HB3 . GLU A 1 88 ? -6.029 -10.902 4.570 1.00 0.00 ? ? ? ? ? ? 85 GLU A HB3 20 -ATOM 31805 H HG2 . GLU A 1 88 ? -7.815 -11.090 6.241 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG2 20 -ATOM 31806 H HG3 . GLU A 1 88 ? -6.997 -12.624 5.979 1.00 0.00 ? ? ? ? ? ? 85 GLU A HG3 20 -ATOM 31807 N N . VAL A 1 89 ? -3.087 -9.615 4.981 1.00 0.00 ? ? ? ? ? ? 86 VAL A N 20 -ATOM 31808 C CA . VAL A 1 89 ? -2.232 -8.885 4.066 1.00 0.00 ? ? ? ? ? ? 86 VAL A CA 20 -ATOM 31809 C C . VAL A 1 89 ? -0.761 -8.984 4.490 1.00 0.00 ? ? ? ? ? ? 86 VAL A C 20 -ATOM 31810 O O . VAL A 1 89 ? 0.126 -8.517 3.795 1.00 0.00 ? ? ? ? ? ? 86 VAL A O 20 -ATOM 31811 C CB . VAL A 1 89 ? -2.655 -7.395 3.969 1.00 0.00 ? ? ? ? ? ? 86 VAL A CB 20 -ATOM 31812 C CG1 . VAL A 1 89 ? -4.085 -7.268 3.452 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG1 20 -ATOM 31813 C CG2 . VAL A 1 89 ? -2.514 -6.703 5.315 1.00 0.00 ? ? ? ? ? ? 86 VAL A CG2 20 -ATOM 31814 H H . VAL A 1 89 ? -3.418 -9.186 5.794 1.00 0.00 ? ? ? ? ? ? 86 VAL A H 20 -ATOM 31815 H HA . VAL A 1 89 ? -2.341 -9.336 3.091 1.00 0.00 ? ? ? ? ? ? 86 VAL A HA 20 -ATOM 31816 H HB . VAL A 1 89 ? -2.006 -6.902 3.262 1.00 0.00 ? ? ? ? ? ? 86 VAL A HB 20 -ATOM 31817 H HG11 . VAL A 1 89 ? -4.155 -7.714 2.471 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG11 20 -ATOM 31818 H HG12 . VAL A 1 89 ? -4.359 -6.225 3.395 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG12 20 -ATOM 31819 H HG13 . VAL A 1 89 ? -4.756 -7.780 4.128 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG13 20 -ATOM 31820 H HG21 . VAL A 1 89 ? -1.482 -6.747 5.634 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG21 20 -ATOM 31821 H HG22 . VAL A 1 89 ? -3.134 -7.208 6.041 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG22 20 -ATOM 31822 H HG23 . VAL A 1 89 ? -2.823 -5.672 5.227 1.00 0.00 ? ? ? ? ? ? 86 VAL A HG23 20 -ATOM 31823 N N . TYR A 1 90 ? -0.521 -9.628 5.613 1.00 0.00 ? ? ? ? ? ? 87 TYR A N 20 -ATOM 31824 C CA . TYR A 1 90 ? 0.818 -9.692 6.184 1.00 0.00 ? ? ? ? ? ? 87 TYR A CA 20 -ATOM 31825 C C . TYR A 1 90 ? 1.570 -10.913 5.695 1.00 0.00 ? ? ? ? ? ? 87 TYR A C 20 -ATOM 31826 O O . TYR A 1 90 ? 2.759 -10.827 5.377 1.00 0.00 ? ? ? ? ? ? 87 TYR A O 20 -ATOM 31827 C CB . TYR A 1 90 ? 0.772 -9.666 7.713 1.00 0.00 ? ? ? ? ? ? 87 TYR A CB 20 -ATOM 31828 C CG . TYR A 1 90 ? 0.174 -8.399 8.297 1.00 0.00 ? ? ? ? ? ? 87 TYR A CG 20 -ATOM 31829 C CD1 . TYR A 1 90 ? -1.195 -8.278 8.512 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD1 20 -ATOM 31830 C CD2 . TYR A 1 90 ? 0.981 -7.326 8.636 1.00 0.00 ? ? ? ? ? ? 87 TYR A CD2 20 -ATOM 31831 C CE1 . TYR A 1 90 ? -1.736 -7.127 9.045 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE1 20 -ATOM 31832 C CE2 . TYR A 1 90 ? 0.447 -6.172 9.172 1.00 0.00 ? ? ? ? ? ? 87 TYR A CE2 20 -ATOM 31833 C CZ . TYR A 1 90 ? -0.909 -6.077 9.373 1.00 0.00 ? ? ? ? ? ? 87 TYR A CZ 20 -ATOM 31834 O OH . TYR A 1 90 ? -1.444 -4.922 9.906 1.00 0.00 ? ? ? ? ? ? 87 TYR A OH 20 -ATOM 31835 H H . TYR A 1 90 ? -1.260 -10.110 6.041 1.00 0.00 ? ? ? ? ? ? 87 TYR A H 20 -ATOM 31836 H HA . TYR A 1 90 ? 1.349 -8.816 5.841 1.00 0.00 ? ? ? ? ? ? 87 TYR A HA 20 -ATOM 31837 H HB2 . TYR A 1 90 ? 0.199 -10.510 8.059 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB2 20 -ATOM 31838 H HB3 . TYR A 1 90 ? 1.780 -9.764 8.091 1.00 0.00 ? ? ? ? ? ? 87 TYR A HB3 20 -ATOM 31839 H HD1 . TYR A 1 90 ? -1.844 -9.100 8.251 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD1 20 -ATOM 31840 H HD2 . TYR A 1 90 ? 2.047 -7.400 8.477 1.00 0.00 ? ? ? ? ? ? 87 TYR A HD2 20 -ATOM 31841 H HE1 . TYR A 1 90 ? -2.801 -7.052 9.206 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE1 20 -ATOM 31842 H HE2 . TYR A 1 90 ? 1.092 -5.348 9.431 1.00 0.00 ? ? ? ? ? ? 87 TYR A HE2 20 -ATOM 31843 H HH . TYR A 1 90 ? -1.083 -4.165 9.433 1.00 0.00 ? ? ? ? ? ? 87 TYR A HH 20 -ATOM 31844 N N . SER A 1 91 ? 0.877 -12.045 5.606 1.00 0.00 ? ? ? ? ? ? 88 SER A N 20 -ATOM 31845 C CA . SER A 1 91 ? 1.485 -13.272 5.128 1.00 0.00 ? ? ? ? ? ? 88 SER A CA 20 -ATOM 31846 C C . SER A 1 91 ? 1.925 -13.098 3.697 1.00 0.00 ? ? ? ? ? ? 88 SER A C 20 -ATOM 31847 O O . SER A 1 91 ? 3.037 -13.461 3.316 1.00 0.00 ? ? ? ? ? ? 88 SER A O 20 -ATOM 31848 C CB . SER A 1 91 ? 0.486 -14.422 5.238 1.00 0.00 ? ? ? ? ? ? 88 SER A CB 20 -ATOM 31849 O OG . SER A 1 91 ? -0.773 -14.073 4.660 1.00 0.00 ? ? ? ? ? ? 88 SER A OG 20 -ATOM 31850 H H . SER A 1 91 ? -0.071 -12.082 5.864 1.00 0.00 ? ? ? ? ? ? 88 SER A H 20 -ATOM 31851 H HA . SER A 1 91 ? 2.342 -13.492 5.745 1.00 0.00 ? ? ? ? ? ? 88 SER A HA 20 -ATOM 31852 H HB2 . SER A 1 91 ? 0.873 -15.282 4.713 1.00 0.00 ? ? ? ? ? ? 88 SER A HB2 20 -ATOM 31853 H HB3 . SER A 1 91 ? 0.338 -14.666 6.279 1.00 0.00 ? ? ? ? ? ? 88 SER A HB3 20 -ATOM 31854 H HG . SER A 1 91 ? -0.746 -14.259 3.704 1.00 0.00 ? ? ? ? ? ? 88 SER A HG 20 -ATOM 31855 N N . GLU A 1 92 ? 1.066 -12.460 2.938 1.00 0.00 ? ? ? ? ? ? 89 GLU A N 20 -ATOM 31856 C CA . GLU A 1 92 ? 1.282 -12.225 1.541 1.00 0.00 ? ? ? ? ? ? 89 GLU A CA 20 -ATOM 31857 C C . GLU A 1 92 ? 2.473 -11.301 1.356 1.00 0.00 ? ? ? ? ? ? 89 GLU A C 20 -ATOM 31858 O O . GLU A 1 92 ? 3.246 -11.449 0.423 1.00 0.00 ? ? ? ? ? ? 89 GLU A O 20 -ATOM 31859 C CB . GLU A 1 92 ? 0.033 -11.595 0.927 1.00 0.00 ? ? ? ? ? ? 89 GLU A CB 20 -ATOM 31860 C CG . GLU A 1 92 ? -1.275 -12.305 1.288 1.00 0.00 ? ? ? ? ? ? 89 GLU A CG 20 -ATOM 31861 C CD . GLU A 1 92 ? -1.248 -13.795 1.033 1.00 0.00 ? ? ? ? ? ? 89 GLU A CD 20 -ATOM 31862 O OE1 . GLU A 1 92 ? -1.563 -14.232 -0.098 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE1 20 -ATOM 31863 O OE2 . GLU A 1 92 ? -0.898 -14.561 1.960 1.00 0.00 ? ? ? ? ? ? 89 GLU A OE2 20 -ATOM 31864 H H . GLU A 1 92 ? 0.231 -12.157 3.353 1.00 0.00 ? ? ? ? ? ? 89 GLU A H 20 -ATOM 31865 H HA . GLU A 1 92 ? 1.473 -13.169 1.055 1.00 0.00 ? ? ? ? ? ? 89 GLU A HA 20 -ATOM 31866 H HB2 . GLU A 1 92 ? -0.036 -10.573 1.269 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB2 20 -ATOM 31867 H HB3 . GLU A 1 92 ? 0.137 -11.593 -0.148 1.00 0.00 ? ? ? ? ? ? 89 GLU A HB3 20 -ATOM 31868 H HG2 . GLU A 1 92 ? -1.477 -12.146 2.336 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG2 20 -ATOM 31869 H HG3 . GLU A 1 92 ? -2.072 -11.867 0.704 1.00 0.00 ? ? ? ? ? ? 89 GLU A HG3 20 -ATOM 31870 N N . ALA A 1 93 ? 2.629 -10.382 2.289 1.00 0.00 ? ? ? ? ? ? 90 ALA A N 20 -ATOM 31871 C CA . ALA A 1 93 ? 3.691 -9.412 2.246 1.00 0.00 ? ? ? ? ? ? 90 ALA A CA 20 -ATOM 31872 C C . ALA A 1 93 ? 5.034 -10.041 2.608 1.00 0.00 ? ? ? ? ? ? 90 ALA A C 20 -ATOM 31873 O O . ALA A 1 93 ? 6.020 -9.811 1.932 1.00 0.00 ? ? ? ? ? ? 90 ALA A O 20 -ATOM 31874 C CB . ALA A 1 93 ? 3.375 -8.234 3.154 1.00 0.00 ? ? ? ? ? ? 90 ALA A CB 20 -ATOM 31875 H H . ALA A 1 93 ? 2.002 -10.369 3.042 1.00 0.00 ? ? ? ? ? ? 90 ALA A H 20 -ATOM 31876 H HA . ALA A 1 93 ? 3.756 -9.046 1.232 1.00 0.00 ? ? ? ? ? ? 90 ALA A HA 20 -ATOM 31877 H HB1 . ALA A 1 93 ? 3.343 -8.575 4.179 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB1 20 -ATOM 31878 H HB2 . ALA A 1 93 ? 2.418 -7.814 2.883 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB2 20 -ATOM 31879 H HB3 . ALA A 1 93 ? 4.143 -7.482 3.049 1.00 0.00 ? ? ? ? ? ? 90 ALA A HB3 20 -ATOM 31880 N N . VAL A 1 94 ? 5.068 -10.855 3.652 1.00 0.00 ? ? ? ? ? ? 91 VAL A N 20 -ATOM 31881 C CA . VAL A 1 94 ? 6.328 -11.472 4.073 1.00 0.00 ? ? ? ? ? ? 91 VAL A CA 20 -ATOM 31882 C C . VAL A 1 94 ? 6.791 -12.527 3.047 1.00 0.00 ? ? ? ? ? ? 91 VAL A C 20 -ATOM 31883 O O . VAL A 1 94 ? 7.985 -12.698 2.803 1.00 0.00 ? ? ? ? ? ? 91 VAL A O 20 -ATOM 31884 C CB . VAL A 1 94 ? 6.255 -12.058 5.525 1.00 0.00 ? ? ? ? ? ? 91 VAL A CB 20 -ATOM 31885 C CG1 . VAL A 1 94 ? 5.277 -13.213 5.637 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG1 20 -ATOM 31886 C CG2 . VAL A 1 94 ? 7.635 -12.444 6.046 1.00 0.00 ? ? ? ? ? ? 91 VAL A CG2 20 -ATOM 31887 H H . VAL A 1 94 ? 4.241 -11.025 4.157 1.00 0.00 ? ? ? ? ? ? 91 VAL A H 20 -ATOM 31888 H HA . VAL A 1 94 ? 7.066 -10.683 4.050 1.00 0.00 ? ? ? ? ? ? 91 VAL A HA 20 -ATOM 31889 H HB . VAL A 1 94 ? 5.871 -11.269 6.158 1.00 0.00 ? ? ? ? ? ? 91 VAL A HB 20 -ATOM 31890 H HG11 . VAL A 1 94 ? 4.298 -12.879 5.330 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG11 20 -ATOM 31891 H HG12 . VAL A 1 94 ? 5.236 -13.555 6.661 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG12 20 -ATOM 31892 H HG13 . VAL A 1 94 ? 5.600 -14.021 4.996 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG13 20 -ATOM 31893 H HG21 . VAL A 1 94 ? 8.268 -11.569 6.077 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG21 20 -ATOM 31894 H HG22 . VAL A 1 94 ? 8.074 -13.176 5.385 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG22 20 -ATOM 31895 H HG23 . VAL A 1 94 ? 7.543 -12.860 7.038 1.00 0.00 ? ? ? ? ? ? 91 VAL A HG23 20 -ATOM 31896 N N . LYS A 1 95 ? 5.830 -13.159 2.390 1.00 0.00 ? ? ? ? ? ? 92 LYS A N 20 -ATOM 31897 C CA . LYS A 1 95 ? 6.107 -14.165 1.370 1.00 0.00 ? ? ? ? ? ? 92 LYS A CA 20 -ATOM 31898 C C . LYS A 1 95 ? 6.645 -13.561 0.086 1.00 0.00 ? ? ? ? ? ? 92 LYS A C 20 -ATOM 31899 O O . LYS A 1 95 ? 7.072 -14.282 -0.823 1.00 0.00 ? ? ? ? ? ? 92 LYS A O 20 -ATOM 31900 C CB . LYS A 1 95 ? 4.910 -15.085 1.131 1.00 0.00 ? ? ? ? ? ? 92 LYS A CB 20 -ATOM 31901 C CG . LYS A 1 95 ? 4.611 -15.996 2.316 1.00 0.00 ? ? ? ? ? ? 92 LYS A CG 20 -ATOM 31902 C CD . LYS A 1 95 ? 5.745 -16.987 2.551 1.00 0.00 ? ? ? ? ? ? 92 LYS A CD 20 -ATOM 31903 C CE . LYS A 1 95 ? 5.533 -17.817 3.806 1.00 0.00 ? ? ? ? ? ? 92 LYS A CE 20 -ATOM 31904 N NZ . LYS A 1 95 ? 5.544 -16.991 5.034 1.00 0.00 ? ? ? ? ? ? 92 LYS A NZ 20 -ATOM 31905 H H . LYS A 1 95 ? 4.894 -12.958 2.608 1.00 0.00 ? ? ? ? ? ? 92 LYS A H 20 -ATOM 31906 H HA . LYS A 1 95 ? 6.918 -14.756 1.769 1.00 0.00 ? ? ? ? ? ? 92 LYS A HA 20 -ATOM 31907 H HB2 . LYS A 1 95 ? 4.040 -14.476 0.936 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB2 20 -ATOM 31908 H HB3 . LYS A 1 95 ? 5.110 -15.704 0.267 1.00 0.00 ? ? ? ? ? ? 92 LYS A HB3 20 -ATOM 31909 H HG2 . LYS A 1 95 ? 4.492 -15.387 3.200 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG2 20 -ATOM 31910 H HG3 . LYS A 1 95 ? 3.697 -16.538 2.126 1.00 0.00 ? ? ? ? ? ? 92 LYS A HG3 20 -ATOM 31911 H HD2 . LYS A 1 95 ? 5.812 -17.652 1.703 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD2 20 -ATOM 31912 H HD3 . LYS A 1 95 ? 6.679 -16.456 2.642 1.00 0.00 ? ? ? ? ? ? 92 LYS A HD3 20 -ATOM 31913 H HE2 . LYS A 1 95 ? 4.578 -18.317 3.736 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE2 20 -ATOM 31914 H HE3 . LYS A 1 95 ? 6.317 -18.556 3.872 1.00 0.00 ? ? ? ? ? ? 92 LYS A HE3 20 -ATOM 31915 H HZ1 . LYS A 1 95 ? 6.391 -16.389 5.082 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ1 20 -ATOM 31916 H HZ2 . LYS A 1 95 ? 5.579 -17.618 5.862 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ2 20 -ATOM 31917 H HZ3 . LYS A 1 95 ? 4.688 -16.407 5.115 1.00 0.00 ? ? ? ? ? ? 92 LYS A HZ3 20 -ATOM 31918 N N . ARG A 1 96 ? 6.598 -12.235 -0.015 1.00 0.00 ? ? ? ? ? ? 93 ARG A N 20 -ATOM 31919 C CA . ARG A 1 96 ? 7.188 -11.540 -1.153 1.00 0.00 ? ? ? ? ? ? 93 ARG A CA 20 -ATOM 31920 C C . ARG A 1 96 ? 8.710 -11.650 -1.061 1.00 0.00 ? ? ? ? ? ? 93 ARG A C 20 -ATOM 31921 O O . ARG A 1 96 ? 9.418 -11.540 -2.056 1.00 0.00 ? ? ? ? ? ? 93 ARG A O 20 -ATOM 31922 C CB . ARG A 1 96 ? 6.772 -10.067 -1.186 1.00 0.00 ? ? ? ? ? ? 93 ARG A CB 20 -ATOM 31923 C CG . ARG A 1 96 ? 5.269 -9.843 -1.178 1.00 0.00 ? ? ? ? ? ? 93 ARG A CG 20 -ATOM 31924 C CD . ARG A 1 96 ? 4.570 -10.426 -2.400 1.00 0.00 ? ? ? ? ? ? 93 ARG A CD 20 -ATOM 31925 N NE . ARG A 1 96 ? 4.918 -9.698 -3.609 1.00 0.00 ? ? ? ? ? ? 93 ARG A NE 20 -ATOM 31926 C CZ . ARG A 1 96 ? 4.105 -9.488 -4.639 1.00 0.00 ? ? ? ? ? ? 93 ARG A CZ 20 -ATOM 31927 N NH1 . ARG A 1 96 ? 2.921 -10.085 -4.706 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH1 20 -ATOM 31928 N NH2 . ARG A 1 96 ? 4.491 -8.716 -5.624 1.00 0.00 ? ? ? ? ? ? 93 ARG A NH2 20 -ATOM 31929 H H . ARG A 1 96 ? 6.166 -11.719 0.699 1.00 0.00 ? ? ? ? ? ? 93 ARG A H 20 -ATOM 31930 H HA . ARG A 1 96 ? 6.854 -12.036 -2.053 1.00 0.00 ? ? ? ? ? ? 93 ARG A HA 20 -ATOM 31931 H HB2 . ARG A 1 96 ? 7.193 -9.567 -0.327 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB2 20 -ATOM 31932 H HB3 . ARG A 1 96 ? 7.179 -9.619 -2.080 1.00 0.00 ? ? ? ? ? ? 93 ARG A HB3 20 -ATOM 31933 H HG2 . ARG A 1 96 ? 4.857 -10.314 -0.298 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG2 20 -ATOM 31934 H HG3 . ARG A 1 96 ? 5.077 -8.781 -1.135 1.00 0.00 ? ? ? ? ? ? 93 ARG A HG3 20 -ATOM 31935 H HD2 . ARG A 1 96 ? 4.856 -11.460 -2.514 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD2 20 -ATOM 31936 H HD3 . ARG A 1 96 ? 3.503 -10.366 -2.249 1.00 0.00 ? ? ? ? ? ? 93 ARG A HD3 20 -ATOM 31937 H HE . ARG A 1 96 ? 5.816 -9.293 -3.617 1.00 0.00 ? ? ? ? ? ? 93 ARG A HE 20 -ATOM 31938 H HH11 . ARG A 1 96 ? 2.583 -10.717 -4.008 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH11 20 -ATOM 31939 H HH12 . ARG A 1 96 ? 2.323 -9.904 -5.495 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH12 20 -ATOM 31940 H HH21 . ARG A 1 96 ? 5.392 -8.274 -5.645 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH21 20 -ATOM 31941 H HH22 . ARG A 1 96 ? 3.853 -8.536 -6.387 1.00 0.00 ? ? ? ? ? ? 93 ARG A HH22 20 -ATOM 31942 N N . ILE A 1 97 ? 9.197 -11.883 0.149 1.00 0.00 ? ? ? ? ? ? 94 ILE A N 20 -ATOM 31943 C CA . ILE A 1 97 ? 10.602 -12.090 0.381 1.00 0.00 ? ? ? ? ? ? 94 ILE A CA 20 -ATOM 31944 C C . ILE A 1 97 ? 10.849 -13.600 0.346 1.00 0.00 ? ? ? ? ? ? 94 ILE A C 20 -ATOM 31945 O O . ILE A 1 97 ? 10.933 -14.268 1.383 1.00 0.00 ? ? ? ? ? ? 94 ILE A O 20 -ATOM 31946 C CB . ILE A 1 97 ? 11.129 -11.469 1.744 1.00 0.00 ? ? ? ? ? ? 94 ILE A CB 20 -ATOM 31947 C CG1 . ILE A 1 97 ? 10.888 -9.939 1.835 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG1 20 -ATOM 31948 C CG2 . ILE A 1 97 ? 12.619 -11.750 1.943 1.00 0.00 ? ? ? ? ? ? 94 ILE A CG2 20 -ATOM 31949 C CD1 . ILE A 1 97 ? 9.447 -9.507 2.058 1.00 0.00 ? ? ? ? ? ? 94 ILE A CD1 20 -ATOM 31950 H H . ILE A 1 97 ? 8.589 -11.951 0.916 1.00 0.00 ? ? ? ? ? ? 94 ILE A H 20 -ATOM 31951 H HA . ILE A 1 97 ? 11.126 -11.644 -0.453 1.00 0.00 ? ? ? ? ? ? 94 ILE A HA 20 -ATOM 31952 H HB . ILE A 1 97 ? 10.596 -11.955 2.549 1.00 0.00 ? ? ? ? ? ? 94 ILE A HB 20 -ATOM 31953 H HG12 . ILE A 1 97 ? 11.465 -9.547 2.660 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG12 20 -ATOM 31954 H HG13 . ILE A 1 97 ? 11.236 -9.481 0.921 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG13 20 -ATOM 31955 H HG21 . ILE A 1 97 ? 12.942 -11.332 2.885 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG21 20 -ATOM 31956 H HG22 . ILE A 1 97 ? 13.178 -11.296 1.140 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG22 20 -ATOM 31957 H HG23 . ILE A 1 97 ? 12.789 -12.817 1.941 1.00 0.00 ? ? ? ? ? ? 94 ILE A HG23 20 -ATOM 31958 H HD11 . ILE A 1 97 ? 9.397 -8.428 2.101 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD11 20 -ATOM 31959 H HD12 . ILE A 1 97 ? 9.083 -9.924 2.984 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD12 20 -ATOM 31960 H HD13 . ILE A 1 97 ? 8.838 -9.862 1.241 1.00 0.00 ? ? ? ? ? ? 94 ILE A HD13 20 -ATOM 31961 N N . LEU A 1 98 ? 10.833 -14.122 -0.855 1.00 0.00 ? ? ? ? ? ? 95 LEU A N 20 -ATOM 31962 C CA . LEU A 1 98 ? 11.004 -15.525 -1.139 1.00 0.00 ? ? ? ? ? ? 95 LEU A CA 20 -ATOM 31963 C C . LEU A 1 98 ? 11.067 -15.663 -2.639 1.00 0.00 ? ? ? ? ? ? 95 LEU A C 20 -ATOM 31964 O O . LEU A 1 98 ? 12.138 -15.958 -3.174 1.00 0.00 ? ? ? ? ? ? 95 LEU A O 20 -ATOM 31965 C CB . LEU A 1 98 ? 9.835 -16.365 -0.574 1.00 0.00 ? ? ? ? ? ? 95 LEU A CB 20 -ATOM 31966 C CG . LEU A 1 98 ? 9.942 -17.890 -0.742 1.00 0.00 ? ? ? ? ? ? 95 LEU A CG 20 -ATOM 31967 C CD1 . LEU A 1 98 ? 11.177 -18.434 -0.033 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD1 20 -ATOM 31968 C CD2 . LEU A 1 98 ? 8.687 -18.571 -0.216 1.00 0.00 ? ? ? ? ? ? 95 LEU A CD2 20 -ATOM 31969 O OXT . LEU A 1 98 ? 10.059 -15.340 -3.308 1.00 0.00 ? ? ? ? ? ? 95 LEU A OXT 20 -ATOM 31970 H H . LEU A 1 98 ? 10.696 -13.527 -1.622 1.00 0.00 ? ? ? ? ? ? 95 LEU A H 20 -ATOM 31971 H HA . LEU A 1 98 ? 11.939 -15.846 -0.704 1.00 0.00 ? ? ? ? ? ? 95 LEU A HA 20 -ATOM 31972 H HB2 . LEU A 1 98 ? 9.750 -16.150 0.482 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB2 20 -ATOM 31973 H HB3 . LEU A 1 98 ? 8.927 -16.037 -1.056 1.00 0.00 ? ? ? ? ? ? 95 LEU A HB3 20 -ATOM 31974 H HG . LEU A 1 98 ? 10.038 -18.120 -1.793 1.00 0.00 ? ? ? ? ? ? 95 LEU A HG 20 -ATOM 31975 H HD11 . LEU A 1 98 ? 11.123 -18.190 1.018 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD11 20 -ATOM 31976 H HD12 . LEU A 1 98 ? 12.064 -17.992 -0.461 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD12 20 -ATOM 31977 H HD13 . LEU A 1 98 ? 11.217 -19.506 -0.153 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD13 20 -ATOM 31978 H HD21 . LEU A 1 98 ? 7.826 -18.226 -0.770 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD21 20 -ATOM 31979 H HD22 . LEU A 1 98 ? 8.557 -18.337 0.830 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD22 20 -ATOM 31980 H HD23 . LEU A 1 98 ? 8.782 -19.641 -0.332 1.00 0.00 ? ? ? ? ? ? 95 LEU A HD23 20 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 GLY 1 -2 ? ? ? A . n -A 1 2 SER 2 -1 ? ? ? A . n -A 1 3 HIS 3 0 ? ? ? A . n -A 1 4 MET 4 1 1 MET MET A . n -A 1 5 ALA 5 2 2 ALA ALA A . n -A 1 6 TYR 6 3 3 TYR TYR A . n -A 1 7 PHE 7 4 4 PHE PHE A . n -A 1 8 LEU 8 5 5 LEU LEU A . n -A 1 9 ASP 9 6 6 ASP ASP A . n -A 1 10 PHE 10 7 7 PHE PHE A . n -A 1 11 ASP 11 8 8 ASP ASP A . n -A 1 12 GLU 12 9 9 GLU GLU A . n -A 1 13 ARG 13 10 10 ARG ARG A . n -A 1 14 ALA 14 11 11 ALA ALA A . n -A 1 15 LEU 15 12 12 LEU LEU A . n -A 1 16 LYS 16 13 13 LYS LYS A . n -A 1 17 GLU 17 14 14 GLU GLU A . n -A 1 18 TRP 18 15 15 TRP TRP A . n -A 1 19 ARG 19 16 16 ARG ARG A . n -A 1 20 LYS 20 17 17 LYS LYS A . n -A 1 21 LEU 21 18 18 LEU LEU A . n -A 1 22 GLY 22 19 19 GLY GLY A . n -A 1 23 SER 23 20 20 SER SER A . n -A 1 24 THR 24 21 21 THR THR A . n -A 1 25 VAL 25 22 22 VAL VAL A . n -A 1 26 ARG 26 23 23 ARG ARG A . n -A 1 27 GLU 27 24 24 GLU GLU A . n -A 1 28 GLN 28 25 25 GLN GLN A . n -A 1 29 LEU 29 26 26 LEU LEU A . n -A 1 30 LYS 30 27 27 LYS LYS A . n -A 1 31 LYS 31 28 28 LYS LYS A . n -A 1 32 LYS 32 29 29 LYS LYS A . n -A 1 33 LEU 33 30 30 LEU LEU A . n -A 1 34 VAL 34 31 31 VAL VAL A . n -A 1 35 GLU 35 32 32 GLU GLU A . n -A 1 36 VAL 36 33 33 VAL VAL A . n -A 1 37 LEU 37 34 34 LEU LEU A . n -A 1 38 GLU 38 35 35 GLU GLU A . n -A 1 39 SER 39 36 36 SER SER A . n -A 1 40 PRO 40 37 37 PRO PRO A . n -A 1 41 ARG 41 38 38 ARG ARG A . n -A 1 42 ILE 42 39 39 ILE ILE A . n -A 1 43 GLU 43 40 40 GLU GLU A . n -A 1 44 ALA 44 41 41 ALA ALA A . n -A 1 45 ASN 45 42 42 ASN ASN A . n -A 1 46 LYS 46 43 43 LYS LYS A . n -A 1 47 LEU 47 44 44 LEU LEU A . n -A 1 48 ARG 48 45 45 ARG ARG A . n -A 1 49 GLY 49 46 46 GLY GLY A . n -A 1 50 MET 50 47 47 MET MET A . n -A 1 51 PRO 51 48 48 PRO PRO A . n -A 1 52 ASP 52 49 49 ASP ASP A . n -A 1 53 CYS 53 50 50 CYS CYS A . n -A 1 54 TYR 54 51 51 TYR TYR A . n -A 1 55 LYS 55 52 52 LYS LYS A . n -A 1 56 ILE 56 53 53 ILE ILE A . n -A 1 57 LYS 57 54 54 LYS LYS A . n -A 1 58 LEU 58 55 55 LEU LEU A . n -A 1 59 ARG 59 56 56 ARG ARG A . n -A 1 60 SER 60 57 57 SER SER A . n -A 1 61 SER 61 58 58 SER SER A . n -A 1 62 GLY 62 59 59 GLY GLY A . n -A 1 63 TYR 63 60 60 TYR TYR A . n -A 1 64 ARG 64 61 61 ARG ARG A . n -A 1 65 LEU 65 62 62 LEU LEU A . n -A 1 66 VAL 66 63 63 VAL VAL A . n -A 1 67 TYR 67 64 64 TYR TYR A . n -A 1 68 GLN 68 65 65 GLN GLN A . n -A 1 69 VAL 69 66 66 VAL VAL A . n -A 1 70 ILE 70 67 67 ILE ILE A . n -A 1 71 ASP 71 68 68 ASP ASP A . n -A 1 72 GLU 72 69 69 GLU GLU A . n -A 1 73 LYS 73 70 70 LYS LYS A . n -A 1 74 VAL 74 71 71 VAL VAL A . n -A 1 75 VAL 75 72 72 VAL VAL A . n -A 1 76 VAL 76 73 73 VAL VAL A . n -A 1 77 PHE 77 74 74 PHE PHE A . n -A 1 78 VAL 78 75 75 VAL VAL A . n -A 1 79 ILE 79 76 76 ILE ILE A . n -A 1 80 SER 80 77 77 SER SER A . n -A 1 81 VAL 81 78 78 VAL VAL A . n -A 1 82 GLY 82 79 79 GLY GLY A . n -A 1 83 LYS 83 80 80 LYS LYS A . n -A 1 84 ALA 84 81 81 ALA ALA A . n -A 1 85 GLU 85 82 82 GLU GLU A . n -A 1 86 ALA 86 83 83 ALA ALA A . n -A 1 87 SER 87 84 84 SER SER A . n -A 1 88 GLU 88 85 85 GLU GLU A . n -A 1 89 VAL 89 86 86 VAL VAL A . n -A 1 90 TYR 90 87 87 TYR TYR A . n -A 1 91 SER 91 88 88 SER SER A . n -A 1 92 GLU 92 89 89 GLU GLU A . n -A 1 93 ALA 93 90 90 ALA ALA A . n -A 1 94 VAL 94 91 91 VAL VAL A . n -A 1 95 LYS 95 92 92 LYS LYS A . n -A 1 96 ARG 96 93 93 ARG ARG A . n -A 1 97 ILE 97 94 94 ILE ILE A . n -A 1 98 LEU 98 95 95 LEU LEU A . n -# -_pdbx_nmr_constraints.disulfide_bond_constraints_total_count ? -_pdbx_nmr_constraints.entry_id 2KC9 -_pdbx_nmr_constraints.hydrogen_bond_constraints_total_count 80 -_pdbx_nmr_constraints.NA_alpha-angle_constraints_total_count ? -_pdbx_nmr_constraints.NA_beta-angle_constraints_total_count ? -_pdbx_nmr_constraints.NA_chi-angle_constraints_total_count ? -_pdbx_nmr_constraints.NA_delta-angle_constraints_total_count ? -_pdbx_nmr_constraints.NA_epsilon-angle_constraints_total_count ? -_pdbx_nmr_constraints.NA_gamma-angle_constraints_total_count ? -_pdbx_nmr_constraints.NA_other-angle_constraints_total_count ? -_pdbx_nmr_constraints.NA_sugar_pucker_constraints_total_count ? -_pdbx_nmr_constraints.NOE_constraints_total 2440 -_pdbx_nmr_constraints.NOE_interentity_total_count ? -_pdbx_nmr_constraints.NOE_interproton_distance_evaluation ? -_pdbx_nmr_constraints.NOE_intraresidue_total_count 1821 -_pdbx_nmr_constraints.NOE_long_range_total_count 790 -_pdbx_nmr_constraints.NOE_medium_range_total_count 481 -_pdbx_nmr_constraints.NOE_motional_averaging_correction ? -_pdbx_nmr_constraints.NOE_pseudoatom_corrections ? -_pdbx_nmr_constraints.NOE_sequential_total_count 550 -_pdbx_nmr_constraints.protein_chi_angle_constraints_total_count 0 -_pdbx_nmr_constraints.protein_other_angle_constraints_total_count 0 -_pdbx_nmr_constraints.protein_phi_angle_constraints_total_count 62 -_pdbx_nmr_constraints.protein_psi_angle_constraints_total_count 62 -# -_pdbx_nmr_ensemble_rms.atom_type ? -_pdbx_nmr_ensemble_rms.bond_angle_rms_dev ? -_pdbx_nmr_ensemble_rms.bond_angle_rms_dev_error ? -_pdbx_nmr_ensemble_rms.chain_range_begin ? -_pdbx_nmr_ensemble_rms.chain_range_end ? -_pdbx_nmr_ensemble_rms.coord_average_rmsd_method ? -_pdbx_nmr_ensemble_rms.covalent_bond_rms_dev ? -_pdbx_nmr_ensemble_rms.covalent_bond_rms_dev_error ? -_pdbx_nmr_ensemble_rms.dihedral_angles_rms_dev ? -_pdbx_nmr_ensemble_rms.dihedral_angles_rms_dev_error ? -_pdbx_nmr_ensemble_rms.distance_rms_dev 0.008 -_pdbx_nmr_ensemble_rms.distance_rms_dev_error 0.001 -_pdbx_nmr_ensemble_rms.entry_id 2KC9 -_pdbx_nmr_ensemble_rms.improper_torsion_angle_rms_dev ? -_pdbx_nmr_ensemble_rms.improper_torsion_angle_rms_dev_error ? -_pdbx_nmr_ensemble_rms.peptide_planarity_rms_dev ? -_pdbx_nmr_ensemble_rms.peptide_planarity_rms_dev_error ? -_pdbx_nmr_ensemble_rms.residue_range_begin ? -_pdbx_nmr_ensemble_rms.residue_range_end ? -# -loop_ -_pdbx_nmr_exptl_sample.component -_pdbx_nmr_exptl_sample.concentration -_pdbx_nmr_exptl_sample.concentration_range -_pdbx_nmr_exptl_sample.concentration_units -_pdbx_nmr_exptl_sample.isotopic_labeling -_pdbx_nmr_exptl_sample.solution_id -RelE-1 0.5 ? mM '[U-13C; U-15N]' 1 -'sodium phosphate-2' 25 ? mM ? 1 -'sodium chloride-3' 500 ? mM ? 1 -DTT-4 1 ? mM ? 1 -'sodium azide-5' 0.5 ? mM ? 1 -RelE-6 0.5 ? mM '[U-13C; U-15N]' 2 -'sodium phosphate-7' 25 ? mM ? 2 -'sodium chloride-8' 500 ? mM ? 2 -DTT-9 1 ? mM ? 2 -'sodium azide-10' 0.5 ? mM ? 2 -# -loop_ -_pdbx_unobs_or_zero_occ_residues.id -_pdbx_unobs_or_zero_occ_residues.polymer_flag -_pdbx_unobs_or_zero_occ_residues.occupancy_flag -_pdbx_unobs_or_zero_occ_residues.PDB_model_num -_pdbx_unobs_or_zero_occ_residues.auth_asym_id -_pdbx_unobs_or_zero_occ_residues.auth_comp_id -_pdbx_unobs_or_zero_occ_residues.auth_seq_id -_pdbx_unobs_or_zero_occ_residues.PDB_ins_code -1 Y 1 1 A GLY -2 ? -2 Y 1 1 A SER -1 ? -3 Y 1 1 A HIS 0 ? -4 Y 1 2 A GLY -2 ? -5 Y 1 2 A SER -1 ? -6 Y 1 2 A HIS 0 ? -7 Y 1 3 A GLY -2 ? -8 Y 1 3 A SER -1 ? -9 Y 1 3 A HIS 0 ? -10 Y 1 4 A GLY -2 ? -11 Y 1 4 A SER -1 ? -12 Y 1 4 A HIS 0 ? -13 Y 1 5 A GLY -2 ? -14 Y 1 5 A SER -1 ? -15 Y 1 5 A HIS 0 ? -16 Y 1 6 A GLY -2 ? -17 Y 1 6 A SER -1 ? -18 Y 1 6 A HIS 0 ? -19 Y 1 7 A GLY -2 ? -20 Y 1 7 A SER -1 ? -21 Y 1 7 A HIS 0 ? -22 Y 1 8 A GLY -2 ? -23 Y 1 8 A SER -1 ? -24 Y 1 8 A HIS 0 ? -25 Y 1 9 A GLY -2 ? -26 Y 1 9 A SER -1 ? -27 Y 1 9 A HIS 0 ? -28 Y 1 10 A GLY -2 ? -29 Y 1 10 A SER -1 ? -30 Y 1 10 A HIS 0 ? -31 Y 1 11 A GLY -2 ? -32 Y 1 11 A SER -1 ? -33 Y 1 11 A HIS 0 ? -34 Y 1 12 A GLY -2 ? -35 Y 1 12 A SER -1 ? -36 Y 1 12 A HIS 0 ? -37 Y 1 13 A GLY -2 ? -38 Y 1 13 A SER -1 ? -39 Y 1 13 A HIS 0 ? -40 Y 1 14 A GLY -2 ? -41 Y 1 14 A SER -1 ? -42 Y 1 14 A HIS 0 ? -43 Y 1 15 A GLY -2 ? -44 Y 1 15 A SER -1 ? -45 Y 1 15 A HIS 0 ? -46 Y 1 16 A GLY -2 ? -47 Y 1 16 A SER -1 ? -48 Y 1 16 A HIS 0 ? -49 Y 1 17 A GLY -2 ? -50 Y 1 17 A SER -1 ? -51 Y 1 17 A HIS 0 ? -52 Y 1 18 A GLY -2 ? -53 Y 1 18 A SER -1 ? -54 Y 1 18 A HIS 0 ? -55 Y 1 19 A GLY -2 ? -56 Y 1 19 A SER -1 ? -57 Y 1 19 A HIS 0 ? -58 Y 1 20 A GLY -2 ? -59 Y 1 20 A SER -1 ? -60 Y 1 20 A HIS 0 ? -# -_pdbx_version.entry_id 2KC9 -_pdbx_version.revision_date 2009-02-02 -_pdbx_version.major_version 3 -_pdbx_version.minor_version 2 -_pdbx_version.details 'compliance with PDB format V.3.20' -# -loop_ -_pdbx_validate_torsion.id -_pdbx_validate_torsion.PDB_model_num -_pdbx_validate_torsion.auth_comp_id -_pdbx_validate_torsion.auth_asym_id -_pdbx_validate_torsion.auth_seq_id -_pdbx_validate_torsion.PDB_ins_code -_pdbx_validate_torsion.phi -_pdbx_validate_torsion.psi -1 1 SER A 36 ? -160.16 77.92 -2 1 ASP A 49 ? -149.22 55.54 -3 1 SER A 57 ? -71.68 -85.72 -4 2 SER A 36 ? -162.55 80.21 -5 2 ARG A 38 ? -90.19 36.15 -6 2 PRO A 48 ? -63.18 95.13 -7 2 ARG A 56 ? 74.27 -62.27 -8 3 SER A 36 ? -157.47 67.47 -9 3 ARG A 38 ? -78.28 25.75 -10 3 PRO A 48 ? -63.03 94.40 -11 3 ALA A 83 ? -144.77 -67.13 -12 3 SER A 84 ? -151.53 26.32 -13 4 SER A 36 ? -162.90 77.66 -14 4 PRO A 48 ? -58.43 90.43 -15 5 SER A 36 ? -164.52 78.78 -16 5 ARG A 38 ? -83.62 34.16 -17 5 PRO A 48 ? -59.87 95.42 -18 5 SER A 57 ? -165.57 -38.24 -19 5 ALA A 83 ? -149.44 -61.62 -20 6 SER A 36 ? -155.20 70.99 -21 6 PRO A 48 ? -63.92 90.88 -22 6 ILE A 94 ? -93.28 -62.99 -23 7 SER A 36 ? -159.29 62.19 -24 7 SER A 84 ? 72.89 35.92 -25 8 SER A 20 ? -106.50 -60.47 -26 8 SER A 36 ? -160.10 77.50 -27 8 ARG A 38 ? -83.79 40.96 -28 8 PRO A 48 ? -67.20 95.13 -29 8 SER A 58 ? -156.05 -45.53 -30 8 ALA A 83 ? -130.42 -63.27 -31 8 SER A 84 ? -161.55 22.99 -32 9 SER A 36 ? -158.42 76.66 -33 9 PRO A 48 ? -62.07 95.16 -34 9 ALA A 83 ? -127.44 -69.29 -35 9 SER A 84 ? -159.96 24.18 -36 10 SER A 36 ? -158.09 74.46 -37 10 ARG A 38 ? -88.12 32.78 -38 11 SER A 36 ? -161.72 75.81 -39 11 ARG A 38 ? -80.29 43.30 -40 12 SER A 36 ? -154.20 74.19 -41 12 ARG A 38 ? -90.22 38.69 -42 12 PRO A 48 ? -51.75 -71.70 -43 12 SER A 58 ? 71.82 -43.88 -44 12 GLU A 82 ? -134.70 -37.31 -45 12 ALA A 83 ? -146.69 -77.08 -46 13 SER A 36 ? -152.37 69.41 -47 13 ARG A 38 ? -90.79 37.94 -48 13 PRO A 48 ? -65.65 99.08 -49 13 ARG A 56 ? -68.44 78.80 -50 13 SER A 57 ? 172.63 -49.96 -51 13 GLU A 82 ? -94.63 -68.00 -52 13 ALA A 83 ? -129.30 -59.82 -53 14 SER A 36 ? -154.81 63.72 -54 14 ARG A 38 ? -92.02 40.20 -55 14 PRO A 48 ? -57.92 89.43 -56 14 ALA A 83 ? -172.11 -51.33 -57 15 SER A 36 ? -155.27 69.67 -58 15 ARG A 38 ? -89.04 38.70 -59 15 PRO A 48 ? -65.25 98.90 -60 15 ALA A 83 ? -141.62 -66.80 -61 15 SER A 84 ? -153.49 20.32 -62 16 SER A 20 ? -163.74 -60.85 -63 16 SER A 36 ? -162.05 76.04 -64 16 ARG A 38 ? -91.68 40.91 -65 16 ARG A 45 ? -63.15 -74.28 -66 16 PRO A 48 ? -59.91 99.11 -67 16 SER A 58 ? 69.51 -173.69 -68 16 ALA A 81 ? -89.58 -78.35 -69 16 GLU A 82 ? 58.35 -45.04 -70 17 PRO A 48 ? -69.40 95.76 -71 17 SER A 58 ? -134.78 -36.03 -72 17 ALA A 83 ? 72.87 -87.84 -73 17 SER A 84 ? -153.24 7.24 -74 18 SER A 36 ? -152.60 73.95 -75 18 ARG A 38 ? -87.51 41.45 -76 18 ASP A 49 ? -154.66 83.65 -77 19 ARG A 38 ? -84.48 39.22 -78 19 PRO A 48 ? -67.88 -74.35 -79 19 SER A 57 ? 171.61 -39.75 -80 19 ALA A 83 ? -178.19 -76.77 -81 20 SER A 36 ? -157.57 77.58 -82 20 ALA A 83 ? -137.68 -54.55 -# -loop_ -_pdbx_validate_planes.id -_pdbx_validate_planes.PDB_model_num -_pdbx_validate_planes.auth_comp_id -_pdbx_validate_planes.auth_asym_id -_pdbx_validate_planes.auth_seq_id -_pdbx_validate_planes.PDB_ins_code -_pdbx_validate_planes.rmsd -_pdbx_validate_planes.type -1 1 ARG A 61 ? 0.080 SIDE_CHAIN -2 3 ARG A 38 ? 0.083 SIDE_CHAIN -3 12 ARG A 61 ? 0.109 SIDE_CHAIN -4 16 ARG A 10 ? 0.081 SIDE_CHAIN -5 19 ARG A 16 ? 0.075 SIDE_CHAIN -6 20 ARG A 10 ? 0.087 SIDE_CHAIN -# diff --git a/biojava-structure/src/test/resources/2kc9.pdb b/biojava-structure/src/test/resources/2kc9.pdb deleted file mode 100644 index c3dc6e3ad9..0000000000 --- a/biojava-structure/src/test/resources/2kc9.pdb +++ /dev/null @@ -1,32297 +0,0 @@ -HEADER TOXIN 17-DEC-08 2KC9 -TITLE STRUCTURE OF E. COLI TOXIN RELE (R81A/R83A) MUTANT IN THE -TITLE 2 FREE STATE -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: TOXIN RELE; -COMPND 3 CHAIN: A; -COMPND 4 ENGINEERED: YES; -COMPND 5 MUTATION: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; -SOURCE 3 ORGANISM_TAXID: 83333; -SOURCE 4 STRAIN: K-12; -SOURCE 5 GENE: RELE, B1563, JW1555; -SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; -SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; -SOURCE 9 EXPRESSION_SYSTEM_VARIANT: DE3; -SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET28A; -SOURCE 11 OTHER_DETAILS: RELE IS EXPRESSED WITH HIS-TAG FUSION. THE -SOURCE 12 HIS-TAG IS REMOVED BY THROMBIN AFTERWARD -KEYWDS RELE, TOXIN, REPRESSOR, STRESS RESPONSE, TRANSCRIPTION, -KEYWDS 2 TRANSCRIPTION REGULATION -EXPDTA SOLUTION NMR -NUMMDL 20 -AUTHOR G.LI,Y.ZHANG,M.INOUYE,M.IKURA -REVDAT 1 17-MAR-09 2KC9 0 -JRNL AUTH G.LI,Y.ZHANG,M.INOUYE,M.IKURA -JRNL TITL RELE TOXIN IS INHIBITED BY ANTITOXIN RELB THROUGH -JRNL TITL 2 A HELIX DISPLACEMENT -JRNL REF TO BE PUBLISHED -JRNL REFN -REMARK 1 -REMARK 2 -REMARK 2 RESOLUTION. NOT APPLICABLE. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : CNS 1.1 -REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 2KC9 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-FEB-09. -REMARK 100 THE RCSB ID CODE IS RCSB100941. -REMARK 210 -REMARK 210 EXPERIMENTAL DETAILS -REMARK 210 EXPERIMENT TYPE : NMR -REMARK 210 TEMPERATURE (KELVIN) : 296.5 -REMARK 210 PH : 6.5 -REMARK 210 IONIC STRENGTH : 0.5 -REMARK 210 PRESSURE : AMBIENT -REMARK 210 SAMPLE CONTENTS : 0.5 MM [U-13C; U-15N] RELE-1, -REMARK 210 25 MM SODIUM PHOSPHATE-2, 500 -REMARK 210 MM SODIUM CHLORIDE-3, 1 MM DTT -REMARK 210 -4, 0.5 MM SODIUM AZIDE-5, 90% -REMARK 210 H2O/10% D2O; 0.5 MM [U-13C; U- -REMARK 210 15N] RELE-6, 25 MM SODIUM -REMARK 210 PHOSPHATE-7, 500 MM SODIUM -REMARK 210 CHLORIDE-8, 1 MM DTT-9, 0.5 MM -REMARK 210 SODIUM AZIDE-10, 100% D2O -REMARK 210 -REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC, 3D HNCACB, 3D -REMARK 210 C(CO)NH, 3D HNCO, 3D H(CCO)NH, -REMARK 210 3D 1H-15N NOESY, 2D 1H-13C -REMARK 210 HSQC, 3D HCCH-TOCSY, 3D HCCH- -REMARK 210 COSY, 3D 1H-13C NOESY -REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 800 MHZ -REMARK 210 SPECTROMETER MODEL : INOVA, AVANCE -REMARK 210 SPECTROMETER MANUFACTURER : VARIAN, BRUKER -REMARK 210 -REMARK 210 STRUCTURE DETERMINATION. -REMARK 210 SOFTWARE USED : TOPSPIN 2.0, NMRPIPE, XEASY, -REMARK 210 CYANA 2.1, CNS 1.1, MOLMOL, -REMARK 210 PROCHECKNMR, VNMR -REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS, -REMARK 210 SIMULATED ANNEALING -REMARK 210 -REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 -REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 -REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST -REMARK 210 ENERGY -REMARK 210 -REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 -REMARK 210 -REMARK 210 REMARK: NULL -REMARK 215 -REMARK 215 NMR STUDY -REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION -REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT -REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON -REMARK 215 THESE RECORDS ARE MEANINGLESS. -REMARK 465 -REMARK 465 MISSING RESIDUES -REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE -REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 MODELS 1-20 -REMARK 465 RES C SSSEQI -REMARK 465 GLY A -2 -REMARK 465 SER A -1 -REMARK 465 HIS A 0 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 1 SER A 36 77.92 -160.16 -REMARK 500 1 ASP A 49 55.54 -149.22 -REMARK 500 1 SER A 57 -85.72 -71.68 -REMARK 500 2 SER A 36 80.21 -162.55 -REMARK 500 2 ARG A 38 36.15 -90.19 -REMARK 500 2 PRO A 48 95.13 -63.18 -REMARK 500 2 ARG A 56 -62.27 74.27 -REMARK 500 3 SER A 36 67.47 -157.47 -REMARK 500 3 ARG A 38 25.75 -78.28 -REMARK 500 3 PRO A 48 94.40 -63.03 -REMARK 500 3 ALA A 83 -67.13 -144.77 -REMARK 500 3 SER A 84 26.32 -151.53 -REMARK 500 4 SER A 36 77.66 -162.90 -REMARK 500 4 PRO A 48 90.43 -58.43 -REMARK 500 5 SER A 36 78.78 -164.52 -REMARK 500 5 ARG A 38 34.16 -83.62 -REMARK 500 5 PRO A 48 95.42 -59.87 -REMARK 500 5 SER A 57 -38.24 -165.57 -REMARK 500 5 ALA A 83 -61.62 -149.44 -REMARK 500 6 SER A 36 70.99 -155.20 -REMARK 500 6 PRO A 48 90.88 -63.92 -REMARK 500 6 ILE A 94 -62.99 -93.28 -REMARK 500 7 SER A 36 62.19 -159.29 -REMARK 500 7 SER A 84 35.92 72.89 -REMARK 500 8 SER A 20 -60.47 -106.50 -REMARK 500 8 SER A 36 77.50 -160.10 -REMARK 500 8 ARG A 38 40.96 -83.79 -REMARK 500 8 PRO A 48 95.13 -67.20 -REMARK 500 8 SER A 58 -45.53 -156.05 -REMARK 500 8 ALA A 83 -63.27 -130.42 -REMARK 500 8 SER A 84 22.99 -161.55 -REMARK 500 9 SER A 36 76.66 -158.42 -REMARK 500 9 PRO A 48 95.16 -62.07 -REMARK 500 9 ALA A 83 -69.29 -127.44 -REMARK 500 9 SER A 84 24.18 -159.96 -REMARK 500 10 SER A 36 74.46 -158.09 -REMARK 500 10 ARG A 38 32.78 -88.12 -REMARK 500 11 SER A 36 75.81 -161.72 -REMARK 500 11 ARG A 38 43.30 -80.29 -REMARK 500 12 SER A 36 74.19 -154.20 -REMARK 500 12 ARG A 38 38.69 -90.22 -REMARK 500 12 PRO A 48 -71.70 -51.75 -REMARK 500 12 SER A 58 -43.88 71.82 -REMARK 500 12 GLU A 82 -37.31 -134.70 -REMARK 500 12 ALA A 83 -77.08 -146.69 -REMARK 500 13 SER A 36 69.41 -152.37 -REMARK 500 13 ARG A 38 37.94 -90.79 -REMARK 500 13 PRO A 48 99.08 -65.65 -REMARK 500 13 ARG A 56 78.80 -68.44 -REMARK 500 13 SER A 57 -49.96 172.63 -REMARK 500 13 GLU A 82 -68.00 -94.63 -REMARK 500 13 ALA A 83 -59.82 -129.30 -REMARK 500 14 SER A 36 63.72 -154.81 -REMARK 500 14 ARG A 38 40.20 -92.02 -REMARK 500 14 PRO A 48 89.43 -57.92 -REMARK 500 14 ALA A 83 -51.33 -172.11 -REMARK 500 15 SER A 36 69.67 -155.27 -REMARK 500 15 ARG A 38 38.70 -89.04 -REMARK 500 15 PRO A 48 98.90 -65.25 -REMARK 500 15 ALA A 83 -66.80 -141.62 -REMARK 500 15 SER A 84 20.32 -153.49 -REMARK 500 16 SER A 20 -60.85 -163.74 -REMARK 500 16 SER A 36 76.04 -162.05 -REMARK 500 16 ARG A 38 40.91 -91.68 -REMARK 500 16 ARG A 45 -74.28 -63.15 -REMARK 500 16 PRO A 48 99.11 -59.91 -REMARK 500 16 SER A 58 -173.69 69.51 -REMARK 500 16 ALA A 81 -78.35 -89.58 -REMARK 500 16 GLU A 82 -45.04 58.35 -REMARK 500 17 PRO A 48 95.76 -69.40 -REMARK 500 17 SER A 58 -36.03 -134.78 -REMARK 500 17 ALA A 83 -87.84 72.87 -REMARK 500 17 SER A 84 7.24 -153.24 -REMARK 500 18 SER A 36 73.95 -152.60 -REMARK 500 18 ARG A 38 41.45 -87.51 -REMARK 500 18 ASP A 49 83.65 -154.66 -REMARK 500 19 ARG A 38 39.22 -84.48 -REMARK 500 19 PRO A 48 -74.35 -67.88 -REMARK 500 19 SER A 57 -39.75 171.61 -REMARK 500 19 ALA A 83 -76.77 -178.19 -REMARK 500 20 SER A 36 77.58 -157.57 -REMARK 500 20 ALA A 83 -54.55 -137.68 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: PLANAR GROUPS -REMARK 500 -REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL -REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE -REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN -REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS -REMARK 500 AN RMSD GREATER THAN THIS VALUE -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 M RES CSSEQI RMS TYPE -REMARK 500 1 ARG A 61 0.08 SIDE_CHAIN -REMARK 500 3 ARG A 38 0.08 SIDE_CHAIN -REMARK 500 12 ARG A 61 0.11 SIDE_CHAIN -REMARK 500 16 ARG A 10 0.08 SIDE_CHAIN -REMARK 500 19 ARG A 16 0.07 SIDE_CHAIN -REMARK 500 20 ARG A 10 0.09 SIDE_CHAIN -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 900 -REMARK 900 RELATED ENTRIES -REMARK 900 RELATED ID: 2KC8 RELATED DB: PDB -REMARK 900 STRUCTURE OF E. COLI TOXIN RELE (R81A/R83A) MUTANT IN -REMARK 900 COMPLEX WITH ANTITOXIN RELBC (K47-L79) PEPTIDE -DBREF 2KC9 A 1 95 UNP P0C077 RELE_ECOLI 1 95 -SEQADV 2KC9 GLY A -2 UNP P0C077 EXPRESSION TAG -SEQADV 2KC9 SER A -1 UNP P0C077 EXPRESSION TAG -SEQADV 2KC9 HIS A 0 UNP P0C077 EXPRESSION TAG -SEQADV 2KC9 ALA A 81 UNP P0C077 ARG 81 ENGINEERED -SEQADV 2KC9 ALA A 83 UNP P0C077 ARG 83 ENGINEERED -SEQRES 1 A 98 GLY SER HIS MET ALA TYR PHE LEU ASP PHE ASP GLU ARG -SEQRES 2 A 98 ALA LEU LYS GLU TRP ARG LYS LEU GLY SER THR VAL ARG -SEQRES 3 A 98 GLU GLN LEU LYS LYS LYS LEU VAL GLU VAL LEU GLU SER -SEQRES 4 A 98 PRO ARG ILE GLU ALA ASN LYS LEU ARG GLY MET PRO ASP -SEQRES 5 A 98 CYS TYR LYS ILE LYS LEU ARG SER SER GLY TYR ARG LEU -SEQRES 6 A 98 VAL TYR GLN VAL ILE ASP GLU LYS VAL VAL VAL PHE VAL -SEQRES 7 A 98 ILE SER VAL GLY LYS ALA GLU ALA SER GLU VAL TYR SER -SEQRES 8 A 98 GLU ALA VAL LYS ARG ILE LEU -HELIX 1 1 ASP A 8 LEU A 18 1 11 -HELIX 2 2 GLY A 19 LEU A 34 1 16 -HELIX 3 3 SER A 84 ILE A 94 1 11 -SHEET 1 A 4 PHE A 4 PHE A 7 0 -SHEET 2 A 4 VAL A 72 GLY A 79 1 O VAL A 73 N PHE A 4 -SHEET 3 A 4 ARG A 61 ILE A 67 -1 N GLN A 65 O PHE A 74 -SHEET 4 A 4 CYS A 50 LYS A 54 -1 N TYR A 51 O TYR A 64 -CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 1.000000 0.000000 0.000000 0.00000 -SCALE2 0.000000 1.000000 0.000000 0.00000 -SCALE3 0.000000 0.000000 1.000000 0.00000 -MODEL 1 -ATOM 1 N MET A 1 11.137 15.464 -2.009 1.00 0.00 N -ATOM 2 CA MET A 1 11.403 14.375 -2.926 1.00 0.00 C -ATOM 3 C MET A 1 10.155 13.550 -3.034 1.00 0.00 C -ATOM 4 O MET A 1 9.527 13.246 -2.029 1.00 0.00 O -ATOM 5 CB MET A 1 12.557 13.508 -2.413 1.00 0.00 C -ATOM 6 CG MET A 1 13.011 12.411 -3.371 1.00 0.00 C -ATOM 7 SD MET A 1 14.353 11.401 -2.691 1.00 0.00 S -ATOM 8 CE MET A 1 14.675 10.299 -4.073 1.00 0.00 C -ATOM 9 H MET A 1 10.888 15.083 -1.077 1.00 0.00 H -ATOM 10 HA MET A 1 11.654 14.796 -3.886 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.398 14.146 -2.198 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.216 13.039 -1.503 1.00 0.00 H -ATOM 13 HG2 MET A 1 12.174 11.767 -3.594 1.00 0.00 H -ATOM 14 HG3 MET A 1 13.359 12.873 -4.283 1.00 0.00 H -ATOM 15 HE1 MET A 1 14.960 10.881 -4.937 1.00 0.00 H -ATOM 16 HE2 MET A 1 13.785 9.731 -4.299 1.00 0.00 H -ATOM 17 HE3 MET A 1 15.476 9.622 -3.815 1.00 0.00 H -ATOM 18 N ALA A 2 9.800 13.200 -4.229 1.00 0.00 N -ATOM 19 CA ALA A 2 8.602 12.444 -4.471 1.00 0.00 C -ATOM 20 C ALA A 2 8.939 11.156 -5.172 1.00 0.00 C -ATOM 21 O ALA A 2 9.832 11.111 -6.038 1.00 0.00 O -ATOM 22 CB ALA A 2 7.608 13.252 -5.284 1.00 0.00 C -ATOM 23 H ALA A 2 10.390 13.433 -4.975 1.00 0.00 H -ATOM 24 HA ALA A 2 8.155 12.214 -3.514 1.00 0.00 H -ATOM 25 HB1 ALA A 2 8.021 13.450 -6.262 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.402 14.182 -4.776 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.695 12.683 -5.381 1.00 0.00 H -ATOM 28 N TYR A 3 8.260 10.125 -4.798 1.00 0.00 N -ATOM 29 CA TYR A 3 8.477 8.817 -5.359 1.00 0.00 C -ATOM 30 C TYR A 3 7.337 8.490 -6.282 1.00 0.00 C -ATOM 31 O TYR A 3 6.365 9.246 -6.360 1.00 0.00 O -ATOM 32 CB TYR A 3 8.588 7.757 -4.247 1.00 0.00 C -ATOM 33 CG TYR A 3 9.792 7.922 -3.337 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.931 9.044 -2.530 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.780 6.947 -3.273 1.00 0.00 C -ATOM 36 CE1 TYR A 3 11.004 9.196 -1.696 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.867 7.094 -2.433 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.968 8.224 -1.646 1.00 0.00 C -ATOM 39 OH TYR A 3 13.035 8.380 -0.799 1.00 0.00 O -ATOM 40 H TYR A 3 7.555 10.235 -4.126 1.00 0.00 H -ATOM 41 HA TYR A 3 9.397 8.838 -5.922 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.704 7.796 -3.629 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.649 6.781 -4.706 1.00 0.00 H -ATOM 44 HD1 TYR A 3 9.171 9.810 -2.572 1.00 0.00 H -ATOM 45 HD2 TYR A 3 10.694 6.064 -3.891 1.00 0.00 H -ATOM 46 HE1 TYR A 3 11.084 10.081 -1.082 1.00 0.00 H -ATOM 47 HE2 TYR A 3 12.629 6.329 -2.392 1.00 0.00 H -ATOM 48 HH TYR A 3 13.840 8.250 -1.319 1.00 0.00 H -ATOM 49 N PHE A 4 7.457 7.410 -6.983 1.00 0.00 N -ATOM 50 CA PHE A 4 6.424 6.979 -7.893 1.00 0.00 C -ATOM 51 C PHE A 4 5.525 5.984 -7.183 1.00 0.00 C -ATOM 52 O PHE A 4 5.893 5.475 -6.129 1.00 0.00 O -ATOM 53 CB PHE A 4 7.064 6.366 -9.136 1.00 0.00 C -ATOM 54 CG PHE A 4 7.960 7.328 -9.863 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.443 8.486 -10.421 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.317 7.079 -9.982 1.00 0.00 C -ATOM 57 CE1 PHE A 4 8.262 9.376 -11.084 1.00 0.00 C -ATOM 58 CE2 PHE A 4 10.141 7.966 -10.644 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.613 9.116 -11.195 1.00 0.00 C -ATOM 60 H PHE A 4 8.267 6.861 -6.890 1.00 0.00 H -ATOM 61 HA PHE A 4 5.842 7.843 -8.178 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.684 5.540 -8.816 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.309 6.006 -9.818 1.00 0.00 H -ATOM 64 HD1 PHE A 4 6.386 8.692 -10.334 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.732 6.181 -9.551 1.00 0.00 H -ATOM 66 HE1 PHE A 4 7.842 10.273 -11.514 1.00 0.00 H -ATOM 67 HE2 PHE A 4 11.197 7.760 -10.729 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.255 9.811 -11.714 1.00 0.00 H -ATOM 69 N LEU A 5 4.369 5.711 -7.730 1.00 0.00 N -ATOM 70 CA LEU A 5 3.442 4.786 -7.100 1.00 0.00 C -ATOM 71 C LEU A 5 3.080 3.703 -8.126 1.00 0.00 C -ATOM 72 O LEU A 5 2.774 4.020 -9.273 1.00 0.00 O -ATOM 73 CB LEU A 5 2.170 5.560 -6.649 1.00 0.00 C -ATOM 74 CG LEU A 5 1.350 5.009 -5.441 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.895 3.577 -5.624 1.00 0.00 C -ATOM 76 CD2 LEU A 5 2.116 5.160 -4.145 1.00 0.00 C -ATOM 77 H LEU A 5 4.110 6.128 -8.583 1.00 0.00 H -ATOM 78 HA LEU A 5 3.922 4.337 -6.242 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.471 6.566 -6.400 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.508 5.617 -7.501 1.00 0.00 H -ATOM 81 HG LEU A 5 0.453 5.605 -5.355 1.00 0.00 H -ATOM 82 HD11 LEU A 5 0.196 3.516 -6.446 1.00 0.00 H -ATOM 83 HD12 LEU A 5 0.438 3.227 -4.711 1.00 0.00 H -ATOM 84 HD13 LEU A 5 1.756 2.963 -5.838 1.00 0.00 H -ATOM 85 HD21 LEU A 5 3.052 4.632 -4.228 1.00 0.00 H -ATOM 86 HD22 LEU A 5 1.539 4.734 -3.339 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.299 6.204 -3.946 1.00 0.00 H -ATOM 88 N ASP A 6 3.137 2.449 -7.721 1.00 0.00 N -ATOM 89 CA ASP A 6 2.788 1.322 -8.587 1.00 0.00 C -ATOM 90 C ASP A 6 1.920 0.333 -7.802 1.00 0.00 C -ATOM 91 O ASP A 6 1.926 0.347 -6.570 1.00 0.00 O -ATOM 92 CB ASP A 6 4.063 0.643 -9.123 1.00 0.00 C -ATOM 93 CG ASP A 6 3.808 -0.464 -10.138 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.728 -0.492 -10.767 1.00 0.00 O -ATOM 95 OD2 ASP A 6 4.702 -1.308 -10.336 1.00 0.00 O -ATOM 96 H ASP A 6 3.422 2.256 -6.797 1.00 0.00 H -ATOM 97 HA ASP A 6 2.207 1.708 -9.410 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.691 1.386 -9.590 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.591 0.217 -8.283 1.00 0.00 H -ATOM 100 N PHE A 7 1.201 -0.511 -8.496 1.00 0.00 N -ATOM 101 CA PHE A 7 0.257 -1.435 -7.881 1.00 0.00 C -ATOM 102 C PHE A 7 0.450 -2.836 -8.426 1.00 0.00 C -ATOM 103 O PHE A 7 0.719 -3.016 -9.625 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.194 -1.032 -8.184 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.659 0.290 -7.649 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -1.500 1.452 -8.387 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.288 0.365 -6.419 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -1.956 2.660 -7.907 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.742 1.570 -5.929 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.577 2.718 -6.673 1.00 0.00 C -ATOM 111 H PHE A 7 1.362 -0.554 -9.467 1.00 0.00 H -ATOM 112 HA PHE A 7 0.401 -1.428 -6.811 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.322 -0.996 -9.256 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.847 -1.799 -7.792 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.012 1.405 -9.350 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.416 -0.535 -5.835 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -1.825 3.558 -8.492 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.229 1.614 -4.966 1.00 0.00 H -ATOM 119 HZ PHE A 7 -2.936 3.662 -6.292 1.00 0.00 H -ATOM 120 N ASP A 8 0.320 -3.817 -7.569 1.00 0.00 N -ATOM 121 CA ASP A 8 0.336 -5.212 -7.993 1.00 0.00 C -ATOM 122 C ASP A 8 -0.998 -5.573 -8.619 1.00 0.00 C -ATOM 123 O ASP A 8 -2.021 -5.001 -8.253 1.00 0.00 O -ATOM 124 CB ASP A 8 0.604 -6.140 -6.820 1.00 0.00 C -ATOM 125 CG ASP A 8 0.528 -7.578 -7.237 1.00 0.00 C -ATOM 126 OD1 ASP A 8 1.272 -7.986 -8.144 1.00 0.00 O -ATOM 127 OD2 ASP A 8 -0.300 -8.309 -6.717 1.00 0.00 O -ATOM 128 H ASP A 8 0.238 -3.621 -6.610 1.00 0.00 H -ATOM 129 HA ASP A 8 1.116 -5.331 -8.730 1.00 0.00 H -ATOM 130 HB2 ASP A 8 1.587 -5.944 -6.419 1.00 0.00 H -ATOM 131 HB3 ASP A 8 -0.137 -5.967 -6.054 1.00 0.00 H -ATOM 132 N GLU A 9 -0.996 -6.506 -9.557 1.00 0.00 N -ATOM 133 CA GLU A 9 -2.209 -6.907 -10.226 1.00 0.00 C -ATOM 134 C GLU A 9 -3.231 -7.560 -9.264 1.00 0.00 C -ATOM 135 O GLU A 9 -4.435 -7.478 -9.495 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.933 -7.703 -11.529 1.00 0.00 C -ATOM 137 CG GLU A 9 -1.366 -9.107 -11.382 1.00 0.00 C -ATOM 138 CD GLU A 9 -2.442 -10.144 -11.194 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -3.191 -10.423 -12.158 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -2.573 -10.690 -10.102 1.00 0.00 O -ATOM 141 H GLU A 9 -0.147 -6.952 -9.775 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.666 -5.964 -10.496 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.863 -7.793 -12.072 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -1.250 -7.123 -12.133 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -0.781 -9.357 -12.254 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -0.732 -9.122 -10.508 1.00 0.00 H -ATOM 147 N ARG A 10 -2.753 -8.210 -8.189 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.660 -8.786 -7.192 1.00 0.00 C -ATOM 149 C ARG A 10 -4.273 -7.647 -6.397 1.00 0.00 C -ATOM 150 O ARG A 10 -5.485 -7.618 -6.143 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.936 -9.773 -6.249 1.00 0.00 C -ATOM 152 CG ARG A 10 -2.276 -10.947 -6.960 1.00 0.00 C -ATOM 153 CD ARG A 10 -1.513 -11.848 -5.997 1.00 0.00 C -ATOM 154 NE ARG A 10 -0.791 -12.929 -6.701 1.00 0.00 N -ATOM 155 CZ ARG A 10 0.197 -13.687 -6.176 1.00 0.00 C -ATOM 156 NH1 ARG A 10 0.621 -13.487 -4.943 1.00 0.00 N -ATOM 157 NH2 ARG A 10 0.768 -14.641 -6.904 1.00 0.00 N -ATOM 158 H ARG A 10 -1.783 -8.303 -8.039 1.00 0.00 H -ATOM 159 HA ARG A 10 -4.445 -9.296 -7.729 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -2.172 -9.233 -5.708 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.651 -10.163 -5.539 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -3.035 -11.530 -7.459 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -1.589 -10.549 -7.692 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -0.799 -11.247 -5.451 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -2.214 -12.287 -5.303 1.00 0.00 H -ATOM 166 HE ARG A 10 -1.082 -13.066 -7.631 1.00 0.00 H -ATOM 167 HH11 ARG A 10 0.234 -12.774 -4.335 1.00 0.00 H -ATOM 168 HH12 ARG A 10 1.363 -14.027 -4.545 1.00 0.00 H -ATOM 169 HH21 ARG A 10 0.484 -14.825 -7.848 1.00 0.00 H -ATOM 170 HH22 ARG A 10 1.518 -15.196 -6.538 1.00 0.00 H -ATOM 171 N ALA A 11 -3.430 -6.671 -6.067 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.851 -5.485 -5.354 1.00 0.00 C -ATOM 173 C ALA A 11 -4.865 -4.693 -6.175 1.00 0.00 C -ATOM 174 O ALA A 11 -5.811 -4.172 -5.636 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.650 -4.612 -4.995 1.00 0.00 C -ATOM 176 H ALA A 11 -2.484 -6.775 -6.309 1.00 0.00 H -ATOM 177 HA ALA A 11 -4.327 -5.804 -4.438 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -2.979 -3.760 -4.419 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -2.169 -4.265 -5.899 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -1.945 -5.187 -4.412 1.00 0.00 H -ATOM 181 N LEU A 12 -4.671 -4.651 -7.491 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.566 -3.944 -8.400 1.00 0.00 C -ATOM 183 C LEU A 12 -6.966 -4.519 -8.392 1.00 0.00 C -ATOM 184 O LEU A 12 -7.948 -3.776 -8.451 1.00 0.00 O -ATOM 185 CB LEU A 12 -5.010 -3.934 -9.820 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.847 -2.981 -10.087 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.321 -3.175 -11.495 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.298 -1.538 -9.899 1.00 0.00 C -ATOM 189 H LEU A 12 -3.886 -5.100 -7.875 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.625 -2.922 -8.055 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.681 -4.939 -10.047 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.820 -3.687 -10.486 1.00 0.00 H -ATOM 193 HG LEU A 12 -3.047 -3.181 -9.390 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -4.112 -2.970 -12.200 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.984 -4.194 -11.623 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -2.499 -2.497 -11.669 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -5.132 -1.334 -10.553 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -3.483 -0.876 -10.151 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.589 -1.369 -8.873 1.00 0.00 H -ATOM 200 N LYS A 13 -7.056 -5.826 -8.291 1.00 0.00 N -ATOM 201 CA LYS A 13 -8.340 -6.498 -8.258 1.00 0.00 C -ATOM 202 C LYS A 13 -9.090 -6.099 -7.006 1.00 0.00 C -ATOM 203 O LYS A 13 -10.277 -5.762 -7.064 1.00 0.00 O -ATOM 204 CB LYS A 13 -8.133 -8.006 -8.295 1.00 0.00 C -ATOM 205 CG LYS A 13 -7.534 -8.490 -9.593 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.878 -9.840 -9.429 1.00 0.00 C -ATOM 207 CE LYS A 13 -6.246 -10.316 -10.730 1.00 0.00 C -ATOM 208 NZ LYS A 13 -5.469 -9.249 -11.393 1.00 0.00 N -ATOM 209 H LYS A 13 -6.227 -6.348 -8.234 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.899 -6.194 -9.130 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -7.474 -8.285 -7.486 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -9.086 -8.494 -8.155 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -8.311 -8.564 -10.340 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -6.791 -7.776 -9.914 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -6.106 -9.739 -8.681 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -7.615 -10.557 -9.101 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -5.565 -11.124 -10.502 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -7.015 -10.670 -11.398 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -4.991 -8.654 -10.684 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -6.045 -8.637 -12.008 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -4.714 -9.687 -11.968 1.00 0.00 H -ATOM 222 N GLU A 14 -8.382 -6.085 -5.891 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.956 -5.685 -4.631 1.00 0.00 C -ATOM 224 C GLU A 14 -9.261 -4.184 -4.614 1.00 0.00 C -ATOM 225 O GLU A 14 -10.281 -3.769 -4.114 1.00 0.00 O -ATOM 226 CB GLU A 14 -8.023 -6.056 -3.493 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.657 -7.533 -3.470 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.867 -8.442 -3.437 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -9.773 -8.240 -2.597 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -8.965 -9.352 -4.283 1.00 0.00 O -ATOM 231 H GLU A 14 -7.444 -6.384 -5.893 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.881 -6.229 -4.510 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -7.113 -5.482 -3.590 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.499 -5.809 -2.557 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -7.099 -7.749 -4.368 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -7.033 -7.725 -2.612 1.00 0.00 H -ATOM 237 N TRP A 15 -8.378 -3.405 -5.201 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.499 -1.949 -5.292 1.00 0.00 C -ATOM 239 C TRP A 15 -9.762 -1.553 -6.050 1.00 0.00 C -ATOM 240 O TRP A 15 -10.515 -0.691 -5.621 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.259 -1.403 -6.018 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.226 0.077 -6.223 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.652 0.762 -7.321 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.720 1.050 -5.319 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.444 2.099 -7.149 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -6.873 2.304 -5.929 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.155 0.985 -4.048 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.478 3.476 -5.319 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -5.764 2.154 -3.442 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -5.928 3.381 -4.075 1.00 0.00 C -ATOM 251 H TRP A 15 -7.568 -3.825 -5.570 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.526 -1.536 -4.295 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.375 -1.671 -5.460 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.206 -1.873 -6.990 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -8.093 0.295 -8.190 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.662 2.813 -7.790 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.021 0.040 -3.544 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.601 4.432 -5.805 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.323 2.129 -2.458 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -5.605 4.271 -3.556 1.00 0.00 H -ATOM 261 N ARG A 16 -9.983 -2.194 -7.173 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.146 -1.916 -8.002 1.00 0.00 C -ATOM 263 C ARG A 16 -12.414 -2.504 -7.390 1.00 0.00 C -ATOM 264 O ARG A 16 -13.534 -2.074 -7.705 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.911 -2.419 -9.417 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.779 -1.686 -10.114 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.490 -2.271 -11.469 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.440 -1.534 -12.178 1.00 0.00 N -ATOM 269 CZ ARG A 16 -7.942 -1.880 -13.370 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -8.350 -3.003 -13.961 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -7.041 -1.100 -13.965 1.00 0.00 N -ATOM 272 H ARG A 16 -9.331 -2.873 -7.465 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.261 -0.842 -8.030 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.667 -3.471 -9.378 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.811 -2.289 -10.000 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.049 -0.646 -10.234 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.892 -1.757 -9.502 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.179 -3.297 -11.343 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -10.395 -2.241 -12.056 1.00 0.00 H -ATOM 280 HE ARG A 16 -8.127 -0.724 -11.711 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -9.030 -3.610 -13.542 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -8.014 -3.312 -14.853 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -6.724 -0.244 -13.543 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -6.639 -1.337 -14.854 1.00 0.00 H -ATOM 285 N LYS A 17 -12.223 -3.481 -6.528 1.00 0.00 N -ATOM 286 CA LYS A 17 -13.301 -4.115 -5.776 1.00 0.00 C -ATOM 287 C LYS A 17 -13.719 -3.207 -4.629 1.00 0.00 C -ATOM 288 O LYS A 17 -14.887 -3.146 -4.263 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.787 -5.433 -5.204 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.778 -6.223 -4.361 1.00 0.00 C -ATOM 291 CD LYS A 17 -13.093 -7.399 -3.674 1.00 0.00 C -ATOM 292 CE LYS A 17 -12.436 -8.325 -4.680 1.00 0.00 C -ATOM 293 NZ LYS A 17 -11.766 -9.464 -4.032 1.00 0.00 N -ATOM 294 H LYS A 17 -11.306 -3.804 -6.398 1.00 0.00 H -ATOM 295 HA LYS A 17 -14.139 -4.311 -6.426 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -12.486 -6.057 -6.032 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.917 -5.222 -4.598 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -14.206 -5.572 -3.612 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -14.560 -6.599 -5.003 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -12.335 -7.022 -3.005 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -13.828 -7.954 -3.110 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -13.190 -8.689 -5.361 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -11.703 -7.749 -5.225 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -11.013 -9.119 -3.394 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -11.291 -10.058 -4.740 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -12.422 -10.054 -3.480 1.00 0.00 H -ATOM 307 N LEU A 18 -12.738 -2.518 -4.079 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.907 -1.629 -2.950 1.00 0.00 C -ATOM 309 C LEU A 18 -13.926 -0.542 -3.228 1.00 0.00 C -ATOM 310 O LEU A 18 -14.110 -0.112 -4.382 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.575 -0.975 -2.578 1.00 0.00 C -ATOM 312 CG LEU A 18 -10.985 -1.312 -1.208 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.687 -2.791 -1.076 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.735 -0.501 -0.985 1.00 0.00 C -ATOM 315 H LEU A 18 -11.834 -2.627 -4.444 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.219 -2.247 -2.124 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.848 -1.250 -3.327 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.717 0.094 -2.625 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.689 -1.048 -0.434 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -9.970 -3.085 -1.827 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -11.600 -3.353 -1.211 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.284 -2.988 -0.094 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.320 -0.735 -0.015 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -9.984 0.549 -1.026 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.012 -0.731 -1.752 1.00 0.00 H -ATOM 326 N GLY A 19 -14.574 -0.102 -2.171 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.540 0.954 -2.260 1.00 0.00 C -ATOM 328 C GLY A 19 -14.904 2.207 -2.792 1.00 0.00 C -ATOM 329 O GLY A 19 -13.765 2.520 -2.433 1.00 0.00 O -ATOM 330 H GLY A 19 -14.377 -0.521 -1.307 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.333 0.642 -2.925 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -15.948 1.152 -1.280 1.00 0.00 H -ATOM 333 N SER A 20 -15.622 2.910 -3.639 1.00 0.00 N -ATOM 334 CA SER A 20 -15.143 4.097 -4.326 1.00 0.00 C -ATOM 335 C SER A 20 -14.503 5.108 -3.357 1.00 0.00 C -ATOM 336 O SER A 20 -13.353 5.485 -3.520 1.00 0.00 O -ATOM 337 CB SER A 20 -16.318 4.725 -5.067 1.00 0.00 C -ATOM 338 OG SER A 20 -17.000 3.735 -5.846 1.00 0.00 O -ATOM 339 H SER A 20 -16.539 2.615 -3.823 1.00 0.00 H -ATOM 340 HA SER A 20 -14.407 3.792 -5.056 1.00 0.00 H -ATOM 341 HB2 SER A 20 -17.010 5.150 -4.354 1.00 0.00 H -ATOM 342 HB3 SER A 20 -15.953 5.497 -5.727 1.00 0.00 H -ATOM 343 HG SER A 20 -16.683 3.829 -6.754 1.00 0.00 H -ATOM 344 N THR A 21 -15.225 5.449 -2.323 1.00 0.00 N -ATOM 345 CA THR A 21 -14.790 6.424 -1.342 1.00 0.00 C -ATOM 346 C THR A 21 -13.608 5.882 -0.512 1.00 0.00 C -ATOM 347 O THR A 21 -12.727 6.641 -0.073 1.00 0.00 O -ATOM 348 CB THR A 21 -15.972 6.779 -0.420 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.111 7.143 -1.237 1.00 0.00 O -ATOM 350 CG2 THR A 21 -15.631 7.947 0.490 1.00 0.00 C -ATOM 351 H THR A 21 -16.096 5.019 -2.209 1.00 0.00 H -ATOM 352 HA THR A 21 -14.482 7.318 -1.866 1.00 0.00 H -ATOM 353 HB THR A 21 -16.209 5.908 0.173 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.673 6.359 -1.298 1.00 0.00 H -ATOM 355 HG21 THR A 21 -14.778 7.692 1.101 1.00 0.00 H -ATOM 356 HG22 THR A 21 -16.478 8.158 1.127 1.00 0.00 H -ATOM 357 HG23 THR A 21 -15.402 8.817 -0.107 1.00 0.00 H -ATOM 358 N VAL A 22 -13.578 4.575 -0.342 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.542 3.923 0.424 1.00 0.00 C -ATOM 360 C VAL A 22 -11.234 3.950 -0.361 1.00 0.00 C -ATOM 361 O VAL A 22 -10.197 4.398 0.140 1.00 0.00 O -ATOM 362 CB VAL A 22 -12.946 2.447 0.702 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -11.859 1.691 1.433 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.243 2.388 1.486 1.00 0.00 C -ATOM 365 H VAL A 22 -14.268 4.022 -0.764 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.416 4.435 1.366 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.117 1.972 -0.254 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -12.144 0.654 1.534 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -11.748 2.112 2.421 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -10.927 1.764 0.893 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.508 1.357 1.668 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -15.026 2.865 0.915 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.117 2.901 2.429 1.00 0.00 H -ATOM 374 N ARG A 23 -11.305 3.555 -1.613 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.136 3.549 -2.451 1.00 0.00 C -ATOM 376 C ARG A 23 -9.660 4.949 -2.767 1.00 0.00 C -ATOM 377 O ARG A 23 -8.468 5.179 -2.897 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.282 2.701 -3.702 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.470 3.014 -4.579 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.195 2.497 -5.962 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.332 2.635 -6.884 1.00 0.00 N -ATOM 382 CZ ARG A 23 -12.248 2.410 -8.208 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -11.070 2.146 -8.763 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.334 2.468 -8.974 1.00 0.00 N -ATOM 385 H ARG A 23 -12.169 3.254 -1.973 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.362 3.114 -1.835 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.391 2.804 -4.302 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.365 1.669 -3.390 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.316 2.478 -4.170 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.698 4.071 -4.585 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.352 3.061 -6.336 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -10.915 1.455 -5.890 1.00 0.00 H -ATOM 393 HE ARG A 23 -13.184 2.868 -6.461 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -10.222 2.113 -8.230 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -10.973 1.970 -9.748 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -14.248 2.677 -8.618 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -13.260 2.282 -9.959 1.00 0.00 H -ATOM 398 N GLU A 24 -10.594 5.880 -2.919 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.256 7.279 -3.126 1.00 0.00 C -ATOM 400 C GLU A 24 -9.402 7.809 -2.003 1.00 0.00 C -ATOM 401 O GLU A 24 -8.368 8.407 -2.252 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.508 8.133 -3.294 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.076 8.118 -4.704 1.00 0.00 C -ATOM 404 CD GLU A 24 -11.161 8.770 -5.726 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -10.267 8.078 -6.289 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -11.322 9.986 -5.995 1.00 0.00 O -ATOM 407 H GLU A 24 -11.542 5.621 -2.915 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.679 7.338 -4.037 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.257 7.714 -2.637 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.322 9.147 -2.978 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -12.209 7.085 -4.994 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -13.028 8.624 -4.704 1.00 0.00 H -ATOM 413 N GLN A 25 -9.789 7.534 -0.779 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.046 8.026 0.360 1.00 0.00 C -ATOM 415 C GLN A 25 -7.706 7.332 0.500 1.00 0.00 C -ATOM 416 O GLN A 25 -6.715 7.969 0.838 1.00 0.00 O -ATOM 417 CB GLN A 25 -9.871 7.956 1.625 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.010 8.950 1.629 1.00 0.00 C -ATOM 419 CD GLN A 25 -11.922 8.778 2.802 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -11.725 9.374 3.868 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -12.920 7.973 2.619 1.00 0.00 N -ATOM 422 H GLN A 25 -10.581 6.972 -0.632 1.00 0.00 H -ATOM 423 HA GLN A 25 -8.836 9.065 0.146 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.286 6.962 1.710 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.241 8.150 2.479 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -10.603 9.949 1.652 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -11.583 8.819 0.723 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -12.976 7.557 1.728 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -13.560 7.821 3.346 1.00 0.00 H -ATOM 430 N LEU A 26 -7.666 6.042 0.202 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.408 5.307 0.204 1.00 0.00 C -ATOM 432 C LEU A 26 -5.476 5.851 -0.865 1.00 0.00 C -ATOM 433 O LEU A 26 -4.286 6.021 -0.627 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.634 3.812 0.001 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.276 3.061 1.176 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.546 1.626 0.800 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.373 3.111 2.403 1.00 0.00 C -ATOM 438 H LEU A 26 -8.501 5.572 -0.010 1.00 0.00 H -ATOM 439 HA LEU A 26 -5.942 5.469 1.164 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.259 3.707 -0.874 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.677 3.358 -0.213 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.223 3.514 1.432 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.010 1.116 1.630 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -6.613 1.139 0.551 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.205 1.597 -0.055 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -6.262 4.131 2.738 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -5.402 2.719 2.143 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -6.800 2.513 3.194 1.00 0.00 H -ATOM 449 N LYS A 27 -6.036 6.150 -2.031 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.283 6.742 -3.124 1.00 0.00 C -ATOM 451 C LYS A 27 -4.694 8.084 -2.701 1.00 0.00 C -ATOM 452 O LYS A 27 -3.530 8.367 -2.955 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.203 6.967 -4.311 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.497 7.507 -5.536 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.480 7.940 -6.599 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.145 9.257 -6.225 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.219 9.622 -7.170 1.00 0.00 N -ATOM 458 H LYS A 27 -6.985 5.927 -2.184 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.489 6.072 -3.418 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.648 6.015 -4.562 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -6.994 7.638 -4.016 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -4.919 8.363 -5.221 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -4.840 6.747 -5.931 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -5.949 8.059 -7.531 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.237 7.179 -6.709 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -7.562 9.172 -5.233 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.394 10.036 -6.214 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -9.050 9.005 -7.021 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -7.905 9.523 -8.157 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -8.514 10.608 -7.023 1.00 0.00 H -ATOM 471 N LYS A 28 -5.504 8.887 -2.035 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.075 10.194 -1.546 1.00 0.00 C -ATOM 473 C LYS A 28 -3.979 10.043 -0.508 1.00 0.00 C -ATOM 474 O LYS A 28 -3.068 10.874 -0.433 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.249 10.965 -0.964 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.366 11.203 -1.954 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.545 11.865 -1.294 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.732 11.923 -2.223 1.00 0.00 C -ATOM 479 NZ LYS A 28 -10.875 12.605 -1.602 1.00 0.00 N -ATOM 480 H LYS A 28 -6.428 8.587 -1.892 1.00 0.00 H -ATOM 481 HA LYS A 28 -4.678 10.741 -2.388 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.650 10.410 -0.128 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -5.897 11.924 -0.615 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.004 11.838 -2.748 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -7.676 10.252 -2.362 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -8.817 11.317 -0.405 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.260 12.873 -1.029 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -9.448 12.455 -3.119 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.020 10.915 -2.483 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -11.694 12.609 -2.239 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -10.645 13.601 -1.415 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -11.166 12.151 -0.713 1.00 0.00 H -ATOM 493 N LYS A 29 -4.077 8.988 0.293 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.057 8.658 1.261 1.00 0.00 C -ATOM 495 C LYS A 29 -1.757 8.312 0.597 1.00 0.00 C -ATOM 496 O LYS A 29 -0.700 8.705 1.070 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.505 7.557 2.223 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.563 7.996 3.222 1.00 0.00 C -ATOM 499 CD LYS A 29 -4.022 9.110 4.088 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.016 9.585 5.112 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.442 10.653 5.951 1.00 0.00 N -ATOM 502 H LYS A 29 -4.883 8.429 0.262 1.00 0.00 H -ATOM 503 HA LYS A 29 -2.864 9.552 1.821 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -3.901 6.731 1.651 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.639 7.220 2.772 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -5.430 8.353 2.684 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -4.837 7.160 3.847 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -3.127 8.777 4.590 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -3.783 9.937 3.437 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -5.891 9.964 4.605 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.293 8.752 5.743 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -3.639 10.315 6.518 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -5.154 11.052 6.598 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.101 11.433 5.351 1.00 0.00 H -ATOM 515 N LEU A 30 -1.841 7.602 -0.493 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.677 7.270 -1.279 1.00 0.00 C -ATOM 517 C LEU A 30 -0.057 8.542 -1.832 1.00 0.00 C -ATOM 518 O LEU A 30 1.153 8.727 -1.790 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.061 6.336 -2.422 1.00 0.00 C -ATOM 520 CG LEU A 30 -1.684 5.009 -2.011 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.063 4.198 -3.229 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -0.742 4.233 -1.104 1.00 0.00 C -ATOM 523 H LEU A 30 -2.722 7.265 -0.766 1.00 0.00 H -ATOM 524 HA LEU A 30 0.034 6.771 -0.638 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -1.765 6.858 -3.055 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.172 6.128 -3.001 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.592 5.209 -1.460 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -1.184 4.017 -3.827 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -2.786 4.746 -3.815 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -2.490 3.256 -2.922 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -0.581 4.800 -0.198 1.00 0.00 H -ATOM 532 HD22 LEU A 30 0.203 4.081 -1.606 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -1.181 3.278 -0.859 1.00 0.00 H -ATOM 534 N VAL A 31 -0.909 9.430 -2.309 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.472 10.691 -2.869 1.00 0.00 C -ATOM 536 C VAL A 31 0.228 11.571 -1.808 1.00 0.00 C -ATOM 537 O VAL A 31 1.312 12.112 -2.063 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.679 11.452 -3.512 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -1.285 12.846 -3.964 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -2.218 10.662 -4.690 1.00 0.00 C -ATOM 541 H VAL A 31 -1.866 9.207 -2.287 1.00 0.00 H -ATOM 542 HA VAL A 31 0.240 10.468 -3.649 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.476 11.538 -2.786 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -0.489 12.780 -4.690 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -0.951 13.405 -3.102 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -2.143 13.335 -4.401 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -1.442 10.525 -5.428 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -3.054 11.188 -5.125 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -2.546 9.700 -4.323 1.00 0.00 H -ATOM 550 N GLU A 32 -0.359 11.684 -0.624 1.00 0.00 N -ATOM 551 CA GLU A 32 0.258 12.465 0.442 1.00 0.00 C -ATOM 552 C GLU A 32 1.520 11.805 0.995 1.00 0.00 C -ATOM 553 O GLU A 32 2.512 12.474 1.243 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.734 12.841 1.559 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.409 11.667 2.224 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.359 12.063 3.327 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -3.429 12.624 3.032 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -2.059 11.796 4.515 1.00 0.00 O -ATOM 559 H GLU A 32 -1.227 11.249 -0.466 1.00 0.00 H -ATOM 560 HA GLU A 32 0.586 13.374 -0.039 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.218 13.410 2.318 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.499 13.458 1.112 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -1.968 11.163 1.451 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.655 11.002 2.617 1.00 0.00 H -ATOM 565 N VAL A 33 1.488 10.481 1.131 1.00 0.00 N -ATOM 566 CA VAL A 33 2.596 9.739 1.705 1.00 0.00 C -ATOM 567 C VAL A 33 3.864 9.870 0.859 1.00 0.00 C -ATOM 568 O VAL A 33 4.941 9.832 1.378 1.00 0.00 O -ATOM 569 CB VAL A 33 2.268 8.247 2.038 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.363 7.322 0.832 1.00 0.00 C -ATOM 571 CG2 VAL A 33 3.115 7.754 3.199 1.00 0.00 C -ATOM 572 H VAL A 33 0.689 9.981 0.848 1.00 0.00 H -ATOM 573 HA VAL A 33 2.814 10.254 2.631 1.00 0.00 H -ATOM 574 HB VAL A 33 1.236 8.226 2.358 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.704 7.682 0.055 1.00 0.00 H -ATOM 576 HG12 VAL A 33 2.070 6.323 1.118 1.00 0.00 H -ATOM 577 HG13 VAL A 33 3.378 7.309 0.465 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.884 8.333 4.080 1.00 0.00 H -ATOM 579 HG22 VAL A 33 4.160 7.881 2.960 1.00 0.00 H -ATOM 580 HG23 VAL A 33 2.906 6.711 3.387 1.00 0.00 H -ATOM 581 N LEU A 34 3.703 10.046 -0.454 1.00 0.00 N -ATOM 582 CA LEU A 34 4.828 10.172 -1.398 1.00 0.00 C -ATOM 583 C LEU A 34 5.849 11.256 -1.016 1.00 0.00 C -ATOM 584 O LEU A 34 7.000 11.176 -1.451 1.00 0.00 O -ATOM 585 CB LEU A 34 4.337 10.395 -2.836 1.00 0.00 C -ATOM 586 CG LEU A 34 3.633 9.210 -3.507 1.00 0.00 C -ATOM 587 CD1 LEU A 34 3.132 9.594 -4.887 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.574 8.014 -3.602 1.00 0.00 C -ATOM 589 H LEU A 34 2.790 10.063 -0.809 1.00 0.00 H -ATOM 590 HA LEU A 34 5.361 9.234 -1.376 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.651 11.230 -2.828 1.00 0.00 H -ATOM 592 HB3 LEU A 34 5.190 10.665 -3.442 1.00 0.00 H -ATOM 593 HG LEU A 34 2.780 8.921 -2.911 1.00 0.00 H -ATOM 594 HD11 LEU A 34 2.437 10.417 -4.805 1.00 0.00 H -ATOM 595 HD12 LEU A 34 2.633 8.748 -5.337 1.00 0.00 H -ATOM 596 HD13 LEU A 34 3.970 9.888 -5.504 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.086 7.208 -4.130 1.00 0.00 H -ATOM 598 HD22 LEU A 34 4.836 7.676 -2.611 1.00 0.00 H -ATOM 599 HD23 LEU A 34 5.469 8.300 -4.134 1.00 0.00 H -ATOM 600 N GLU A 35 5.436 12.275 -0.239 1.00 0.00 N -ATOM 601 CA GLU A 35 6.380 13.316 0.207 1.00 0.00 C -ATOM 602 C GLU A 35 7.439 12.720 1.164 1.00 0.00 C -ATOM 603 O GLU A 35 8.559 13.222 1.267 1.00 0.00 O -ATOM 604 CB GLU A 35 5.663 14.490 0.901 1.00 0.00 C -ATOM 605 CG GLU A 35 4.966 14.124 2.204 1.00 0.00 C -ATOM 606 CD GLU A 35 4.438 15.321 2.944 1.00 0.00 C -ATOM 607 OE1 GLU A 35 5.211 15.951 3.701 1.00 0.00 O -ATOM 608 OE2 GLU A 35 3.247 15.652 2.810 1.00 0.00 O -ATOM 609 H GLU A 35 4.497 12.311 0.051 1.00 0.00 H -ATOM 610 HA GLU A 35 6.891 13.680 -0.673 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.388 15.261 1.117 1.00 0.00 H -ATOM 612 HB3 GLU A 35 4.923 14.888 0.224 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.138 13.467 1.985 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.672 13.607 2.838 1.00 0.00 H -ATOM 615 N SER A 36 7.071 11.665 1.851 1.00 0.00 N -ATOM 616 CA SER A 36 7.936 10.983 2.770 1.00 0.00 C -ATOM 617 C SER A 36 7.360 9.583 2.974 1.00 0.00 C -ATOM 618 O SER A 36 6.643 9.341 3.912 1.00 0.00 O -ATOM 619 CB SER A 36 8.024 11.760 4.114 1.00 0.00 C -ATOM 620 OG SER A 36 9.063 11.264 4.971 1.00 0.00 O -ATOM 621 H SER A 36 6.168 11.291 1.724 1.00 0.00 H -ATOM 622 HA SER A 36 8.917 10.889 2.333 1.00 0.00 H -ATOM 623 HB2 SER A 36 8.223 12.801 3.909 1.00 0.00 H -ATOM 624 HB3 SER A 36 7.079 11.675 4.630 1.00 0.00 H -ATOM 625 HG SER A 36 9.900 11.588 4.623 1.00 0.00 H -ATOM 626 N PRO A 37 7.573 8.662 2.009 1.00 0.00 N -ATOM 627 CA PRO A 37 6.995 7.318 2.078 1.00 0.00 C -ATOM 628 C PRO A 37 7.560 6.492 3.223 1.00 0.00 C -ATOM 629 O PRO A 37 6.898 5.596 3.747 1.00 0.00 O -ATOM 630 CB PRO A 37 7.349 6.704 0.723 1.00 0.00 C -ATOM 631 CG PRO A 37 8.533 7.470 0.268 1.00 0.00 C -ATOM 632 CD PRO A 37 8.319 8.868 0.759 1.00 0.00 C -ATOM 633 HA PRO A 37 5.922 7.365 2.183 1.00 0.00 H -ATOM 634 HB2 PRO A 37 7.573 5.655 0.843 1.00 0.00 H -ATOM 635 HB3 PRO A 37 6.518 6.829 0.043 1.00 0.00 H -ATOM 636 HG2 PRO A 37 9.428 7.050 0.704 1.00 0.00 H -ATOM 637 HG3 PRO A 37 8.595 7.454 -0.810 1.00 0.00 H -ATOM 638 HD2 PRO A 37 9.260 9.364 0.936 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.715 9.426 0.054 1.00 0.00 H -ATOM 640 N ARG A 38 8.760 6.823 3.634 1.00 0.00 N -ATOM 641 CA ARG A 38 9.419 6.118 4.695 1.00 0.00 C -ATOM 642 C ARG A 38 9.077 6.667 6.087 1.00 0.00 C -ATOM 643 O ARG A 38 9.923 7.161 6.821 1.00 0.00 O -ATOM 644 CB ARG A 38 10.936 5.931 4.417 1.00 0.00 C -ATOM 645 CG ARG A 38 11.679 7.153 3.862 1.00 0.00 C -ATOM 646 CD ARG A 38 11.901 8.247 4.889 1.00 0.00 C -ATOM 647 NE ARG A 38 12.620 9.384 4.316 1.00 0.00 N -ATOM 648 CZ ARG A 38 13.571 10.093 4.937 1.00 0.00 C -ATOM 649 NH1 ARG A 38 13.942 9.779 6.180 1.00 0.00 N -ATOM 650 NH2 ARG A 38 14.161 11.102 4.298 1.00 0.00 N -ATOM 651 H ARG A 38 9.196 7.590 3.209 1.00 0.00 H -ATOM 652 HA ARG A 38 8.958 5.140 4.671 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.415 5.654 5.344 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.055 5.116 3.718 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.637 6.840 3.479 1.00 0.00 H -ATOM 656 HG3 ARG A 38 11.097 7.555 3.046 1.00 0.00 H -ATOM 657 HD2 ARG A 38 10.943 8.582 5.257 1.00 0.00 H -ATOM 658 HD3 ARG A 38 12.481 7.838 5.701 1.00 0.00 H -ATOM 659 HE ARG A 38 12.363 9.592 3.389 1.00 0.00 H -ATOM 660 HH11 ARG A 38 13.523 9.016 6.680 1.00 0.00 H -ATOM 661 HH12 ARG A 38 14.672 10.260 6.677 1.00 0.00 H -ATOM 662 HH21 ARG A 38 13.897 11.345 3.359 1.00 0.00 H -ATOM 663 HH22 ARG A 38 14.908 11.648 4.687 1.00 0.00 H -ATOM 664 N ILE A 39 7.807 6.608 6.407 1.00 0.00 N -ATOM 665 CA ILE A 39 7.310 7.043 7.694 1.00 0.00 C -ATOM 666 C ILE A 39 7.328 5.882 8.664 1.00 0.00 C -ATOM 667 O ILE A 39 6.611 4.890 8.479 1.00 0.00 O -ATOM 668 CB ILE A 39 5.875 7.651 7.589 1.00 0.00 C -ATOM 669 CG1 ILE A 39 5.934 8.930 6.762 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.278 7.935 8.974 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.598 9.571 6.474 1.00 0.00 C -ATOM 672 H ILE A 39 7.192 6.248 5.732 1.00 0.00 H -ATOM 673 HA ILE A 39 7.986 7.803 8.057 1.00 0.00 H -ATOM 674 HB ILE A 39 5.240 6.942 7.082 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.528 9.658 7.294 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.412 8.714 5.818 1.00 0.00 H -ATOM 677 HG21 ILE A 39 5.222 7.012 9.533 1.00 0.00 H -ATOM 678 HG22 ILE A 39 4.287 8.348 8.861 1.00 0.00 H -ATOM 679 HG23 ILE A 39 5.900 8.640 9.503 1.00 0.00 H -ATOM 680 HD11 ILE A 39 4.770 10.441 5.855 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.127 9.865 7.401 1.00 0.00 H -ATOM 682 HD13 ILE A 39 3.967 8.873 5.944 1.00 0.00 H -ATOM 683 N GLU A 40 8.136 6.016 9.695 1.00 0.00 N -ATOM 684 CA GLU A 40 8.321 4.992 10.718 1.00 0.00 C -ATOM 685 C GLU A 40 6.999 4.572 11.374 1.00 0.00 C -ATOM 686 O GLU A 40 6.833 3.419 11.752 1.00 0.00 O -ATOM 687 CB GLU A 40 9.297 5.486 11.777 1.00 0.00 C -ATOM 688 CG GLU A 40 8.871 6.771 12.464 1.00 0.00 C -ATOM 689 CD GLU A 40 9.801 7.146 13.562 1.00 0.00 C -ATOM 690 OE1 GLU A 40 9.718 6.544 14.653 1.00 0.00 O -ATOM 691 OE2 GLU A 40 10.646 8.034 13.363 1.00 0.00 O -ATOM 692 H GLU A 40 8.665 6.842 9.771 1.00 0.00 H -ATOM 693 HA GLU A 40 8.756 4.128 10.237 1.00 0.00 H -ATOM 694 HB2 GLU A 40 9.408 4.726 12.536 1.00 0.00 H -ATOM 695 HB3 GLU A 40 10.256 5.657 11.311 1.00 0.00 H -ATOM 696 HG2 GLU A 40 8.856 7.568 11.734 1.00 0.00 H -ATOM 697 HG3 GLU A 40 7.879 6.642 12.871 1.00 0.00 H -ATOM 698 N ALA A 41 6.059 5.503 11.455 1.00 0.00 N -ATOM 699 CA ALA A 41 4.759 5.260 12.072 1.00 0.00 C -ATOM 700 C ALA A 41 3.873 4.387 11.189 1.00 0.00 C -ATOM 701 O ALA A 41 2.903 3.806 11.651 1.00 0.00 O -ATOM 702 CB ALA A 41 4.068 6.579 12.371 1.00 0.00 C -ATOM 703 H ALA A 41 6.269 6.388 11.094 1.00 0.00 H -ATOM 704 HA ALA A 41 4.930 4.748 13.008 1.00 0.00 H -ATOM 705 HB1 ALA A 41 3.865 7.095 11.444 1.00 0.00 H -ATOM 706 HB2 ALA A 41 4.711 7.188 12.988 1.00 0.00 H -ATOM 707 HB3 ALA A 41 3.140 6.390 12.890 1.00 0.00 H -ATOM 708 N ASN A 42 4.208 4.299 9.921 1.00 0.00 N -ATOM 709 CA ASN A 42 3.435 3.482 8.997 1.00 0.00 C -ATOM 710 C ASN A 42 4.160 2.191 8.715 1.00 0.00 C -ATOM 711 O ASN A 42 3.572 1.246 8.221 1.00 0.00 O -ATOM 712 CB ASN A 42 3.171 4.213 7.661 1.00 0.00 C -ATOM 713 CG ASN A 42 2.296 5.446 7.786 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.436 5.534 8.660 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.501 6.404 6.911 1.00 0.00 N -ATOM 716 H ASN A 42 5.000 4.775 9.591 1.00 0.00 H -ATOM 717 HA ASN A 42 2.488 3.258 9.464 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.114 4.524 7.240 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.694 3.524 6.977 1.00 0.00 H -ATOM 720 HD21 ASN A 42 3.191 6.280 6.225 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.949 7.212 6.976 1.00 0.00 H -ATOM 722 N LYS A 43 5.441 2.158 9.047 1.00 0.00 N -ATOM 723 CA LYS A 43 6.310 1.055 8.751 1.00 0.00 C -ATOM 724 C LYS A 43 5.883 -0.231 9.452 1.00 0.00 C -ATOM 725 O LYS A 43 5.309 -0.209 10.546 1.00 0.00 O -ATOM 726 CB LYS A 43 7.736 1.409 9.185 1.00 0.00 C -ATOM 727 CG LYS A 43 8.797 0.740 8.354 1.00 0.00 C -ATOM 728 CD LYS A 43 10.197 0.925 8.935 1.00 0.00 C -ATOM 729 CE LYS A 43 11.284 0.398 7.989 1.00 0.00 C -ATOM 730 NZ LYS A 43 11.506 1.294 6.827 1.00 0.00 N -ATOM 731 H LYS A 43 5.870 2.907 9.504 1.00 0.00 H -ATOM 732 HA LYS A 43 6.326 0.903 7.682 1.00 0.00 H -ATOM 733 HB2 LYS A 43 7.867 2.478 9.107 1.00 0.00 H -ATOM 734 HB3 LYS A 43 7.869 1.112 10.215 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.548 -0.307 8.272 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.727 1.222 7.391 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.370 1.977 9.110 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.260 0.390 9.872 1.00 0.00 H -ATOM 739 HE2 LYS A 43 12.211 0.304 8.534 1.00 0.00 H -ATOM 740 HE3 LYS A 43 10.985 -0.575 7.626 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 11.976 2.174 7.126 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 10.624 1.609 6.370 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.103 0.863 6.088 1.00 0.00 H -ATOM 744 N LEU A 44 6.104 -1.318 8.778 1.00 0.00 N -ATOM 745 CA LEU A 44 5.974 -2.633 9.329 1.00 0.00 C -ATOM 746 C LEU A 44 7.358 -3.050 9.740 1.00 0.00 C -ATOM 747 O LEU A 44 8.274 -3.044 8.916 1.00 0.00 O -ATOM 748 CB LEU A 44 5.445 -3.613 8.282 1.00 0.00 C -ATOM 749 CG LEU A 44 4.001 -3.434 7.836 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.704 -4.361 6.697 1.00 0.00 C -ATOM 751 CD2 LEU A 44 3.063 -3.748 8.968 1.00 0.00 C -ATOM 752 H LEU A 44 6.386 -1.248 7.837 1.00 0.00 H -ATOM 753 HA LEU A 44 5.309 -2.597 10.179 1.00 0.00 H -ATOM 754 HB2 LEU A 44 6.070 -3.519 7.407 1.00 0.00 H -ATOM 755 HB3 LEU A 44 5.558 -4.613 8.672 1.00 0.00 H -ATOM 756 HG LEU A 44 3.827 -2.417 7.521 1.00 0.00 H -ATOM 757 HD11 LEU A 44 4.355 -4.129 5.868 1.00 0.00 H -ATOM 758 HD12 LEU A 44 2.671 -4.231 6.412 1.00 0.00 H -ATOM 759 HD13 LEU A 44 3.874 -5.375 7.026 1.00 0.00 H -ATOM 760 HD21 LEU A 44 3.242 -4.758 9.308 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.055 -3.676 8.589 1.00 0.00 H -ATOM 762 HD23 LEU A 44 3.214 -3.051 9.778 1.00 0.00 H -ATOM 763 N ARG A 45 7.527 -3.396 10.972 1.00 0.00 N -ATOM 764 CA ARG A 45 8.840 -3.713 11.463 1.00 0.00 C -ATOM 765 C ARG A 45 9.109 -5.186 11.205 1.00 0.00 C -ATOM 766 O ARG A 45 8.261 -6.026 11.474 1.00 0.00 O -ATOM 767 CB ARG A 45 8.967 -3.383 12.952 1.00 0.00 C -ATOM 768 CG ARG A 45 10.405 -3.179 13.412 1.00 0.00 C -ATOM 769 CD ARG A 45 11.002 -1.925 12.771 1.00 0.00 C -ATOM 770 NE ARG A 45 12.391 -1.688 13.170 1.00 0.00 N -ATOM 771 CZ ARG A 45 13.015 -0.495 13.106 1.00 0.00 C -ATOM 772 NH1 ARG A 45 12.357 0.593 12.703 1.00 0.00 N -ATOM 773 NH2 ARG A 45 14.285 -0.399 13.457 1.00 0.00 N -ATOM 774 H ARG A 45 6.734 -3.495 11.539 1.00 0.00 H -ATOM 775 HA ARG A 45 9.544 -3.124 10.898 1.00 0.00 H -ATOM 776 HB2 ARG A 45 8.412 -2.480 13.158 1.00 0.00 H -ATOM 777 HB3 ARG A 45 8.541 -4.193 13.525 1.00 0.00 H -ATOM 778 HG2 ARG A 45 10.421 -3.066 14.486 1.00 0.00 H -ATOM 779 HG3 ARG A 45 10.996 -4.036 13.126 1.00 0.00 H -ATOM 780 HD2 ARG A 45 10.978 -2.024 11.696 1.00 0.00 H -ATOM 781 HD3 ARG A 45 10.407 -1.074 13.065 1.00 0.00 H -ATOM 782 HE ARG A 45 12.872 -2.487 13.480 1.00 0.00 H -ATOM 783 HH11 ARG A 45 11.389 0.571 12.439 1.00 0.00 H -ATOM 784 HH12 ARG A 45 12.787 1.497 12.643 1.00 0.00 H -ATOM 785 HH21 ARG A 45 14.813 -1.189 13.776 1.00 0.00 H -ATOM 786 HH22 ARG A 45 14.783 0.472 13.430 1.00 0.00 H -ATOM 787 N GLY A 46 10.247 -5.480 10.636 1.00 0.00 N -ATOM 788 CA GLY A 46 10.580 -6.844 10.276 1.00 0.00 C -ATOM 789 C GLY A 46 10.477 -7.001 8.788 1.00 0.00 C -ATOM 790 O GLY A 46 11.245 -7.725 8.155 1.00 0.00 O -ATOM 791 H GLY A 46 10.880 -4.760 10.430 1.00 0.00 H -ATOM 792 HA2 GLY A 46 11.589 -7.062 10.590 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.893 -7.527 10.751 1.00 0.00 H -ATOM 794 N MET A 47 9.538 -6.284 8.235 1.00 0.00 N -ATOM 795 CA MET A 47 9.339 -6.221 6.815 1.00 0.00 C -ATOM 796 C MET A 47 10.259 -5.130 6.304 1.00 0.00 C -ATOM 797 O MET A 47 10.185 -4.011 6.814 1.00 0.00 O -ATOM 798 CB MET A 47 7.884 -5.863 6.508 1.00 0.00 C -ATOM 799 CG MET A 47 6.861 -6.885 6.993 1.00 0.00 C -ATOM 800 SD MET A 47 6.948 -8.463 6.112 1.00 0.00 S -ATOM 801 CE MET A 47 6.463 -7.961 4.458 1.00 0.00 C -ATOM 802 H MET A 47 8.969 -5.750 8.825 1.00 0.00 H -ATOM 803 HA MET A 47 9.590 -7.180 6.387 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.663 -4.920 6.982 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.774 -5.748 5.440 1.00 0.00 H -ATOM 806 HG2 MET A 47 7.030 -7.066 8.043 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.872 -6.469 6.861 1.00 0.00 H -ATOM 808 HE1 MET A 47 5.476 -7.521 4.489 1.00 0.00 H -ATOM 809 HE2 MET A 47 6.437 -8.823 3.808 1.00 0.00 H -ATOM 810 HE3 MET A 47 7.163 -7.240 4.063 1.00 0.00 H -ATOM 811 N PRO A 48 11.138 -5.442 5.305 1.00 0.00 N -ATOM 812 CA PRO A 48 12.184 -4.536 4.792 1.00 0.00 C -ATOM 813 C PRO A 48 11.772 -3.071 4.756 1.00 0.00 C -ATOM 814 O PRO A 48 12.283 -2.253 5.521 1.00 0.00 O -ATOM 815 CB PRO A 48 12.459 -5.047 3.378 1.00 0.00 C -ATOM 816 CG PRO A 48 11.766 -6.369 3.258 1.00 0.00 C -ATOM 817 CD PRO A 48 11.177 -6.721 4.598 1.00 0.00 C -ATOM 818 HA PRO A 48 13.084 -4.618 5.380 1.00 0.00 H -ATOM 819 HB2 PRO A 48 12.073 -4.337 2.662 1.00 0.00 H -ATOM 820 HB3 PRO A 48 13.524 -5.151 3.235 1.00 0.00 H -ATOM 821 HG2 PRO A 48 10.978 -6.295 2.523 1.00 0.00 H -ATOM 822 HG3 PRO A 48 12.483 -7.120 2.956 1.00 0.00 H -ATOM 823 HD2 PRO A 48 10.181 -7.114 4.458 1.00 0.00 H -ATOM 824 HD3 PRO A 48 11.805 -7.433 5.113 1.00 0.00 H -ATOM 825 N ASP A 49 10.826 -2.760 3.921 1.00 0.00 N -ATOM 826 CA ASP A 49 10.318 -1.414 3.830 1.00 0.00 C -ATOM 827 C ASP A 49 8.878 -1.460 3.437 1.00 0.00 C -ATOM 828 O ASP A 49 8.473 -0.898 2.428 1.00 0.00 O -ATOM 829 CB ASP A 49 11.128 -0.558 2.845 1.00 0.00 C -ATOM 830 CG ASP A 49 11.706 0.683 3.508 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.605 0.542 4.375 1.00 0.00 O -ATOM 832 OD2 ASP A 49 11.314 1.819 3.169 1.00 0.00 O -ATOM 833 H ASP A 49 10.449 -3.460 3.349 1.00 0.00 H -ATOM 834 HA ASP A 49 10.389 -0.978 4.815 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.931 -1.151 2.432 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.477 -0.245 2.042 1.00 0.00 H -ATOM 837 N CYS A 50 8.108 -2.176 4.210 1.00 0.00 N -ATOM 838 CA CYS A 50 6.699 -2.277 3.964 1.00 0.00 C -ATOM 839 C CYS A 50 5.976 -1.402 4.964 1.00 0.00 C -ATOM 840 O CYS A 50 6.411 -1.281 6.107 1.00 0.00 O -ATOM 841 CB CYS A 50 6.262 -3.728 4.066 1.00 0.00 C -ATOM 842 SG CYS A 50 7.202 -4.831 2.979 1.00 0.00 S -ATOM 843 H CYS A 50 8.484 -2.633 4.991 1.00 0.00 H -ATOM 844 HA CYS A 50 6.502 -1.907 2.969 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.393 -4.067 5.082 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.220 -3.803 3.791 1.00 0.00 H -ATOM 847 HG CYS A 50 7.358 -4.181 1.835 1.00 0.00 H -ATOM 848 N TYR A 51 4.930 -0.762 4.528 1.00 0.00 N -ATOM 849 CA TYR A 51 4.200 0.188 5.339 1.00 0.00 C -ATOM 850 C TYR A 51 2.727 -0.072 5.180 1.00 0.00 C -ATOM 851 O TYR A 51 2.299 -0.588 4.137 1.00 0.00 O -ATOM 852 CB TYR A 51 4.512 1.640 4.884 1.00 0.00 C -ATOM 853 CG TYR A 51 5.979 2.035 4.958 1.00 0.00 C -ATOM 854 CD1 TYR A 51 6.898 1.521 4.065 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.445 2.879 5.937 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.223 1.830 4.146 1.00 0.00 C -ATOM 857 CE2 TYR A 51 7.785 3.187 6.027 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.663 2.655 5.122 1.00 0.00 C -ATOM 859 OH TYR A 51 10.001 2.916 5.228 1.00 0.00 O -ATOM 860 H TYR A 51 4.617 -0.919 3.607 1.00 0.00 H -ATOM 861 HA TYR A 51 4.489 0.073 6.373 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.196 1.761 3.858 1.00 0.00 H -ATOM 863 HB3 TYR A 51 3.950 2.326 5.502 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.549 0.861 3.285 1.00 0.00 H -ATOM 865 HD2 TYR A 51 5.750 3.294 6.650 1.00 0.00 H -ATOM 866 HE1 TYR A 51 8.920 1.412 3.435 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.134 3.854 6.802 1.00 0.00 H -ATOM 868 HH TYR A 51 10.405 2.842 4.345 1.00 0.00 H -ATOM 869 N LYS A 52 1.958 0.257 6.188 1.00 0.00 N -ATOM 870 CA LYS A 52 0.536 0.079 6.123 1.00 0.00 C -ATOM 871 C LYS A 52 -0.169 1.391 6.425 1.00 0.00 C -ATOM 872 O LYS A 52 0.260 2.163 7.300 1.00 0.00 O -ATOM 873 CB LYS A 52 0.015 -1.044 7.085 1.00 0.00 C -ATOM 874 CG LYS A 52 0.030 -0.736 8.606 1.00 0.00 C -ATOM 875 CD LYS A 52 1.427 -0.708 9.221 1.00 0.00 C -ATOM 876 CE LYS A 52 1.369 -0.353 10.703 1.00 0.00 C -ATOM 877 NZ LYS A 52 2.692 -0.441 11.384 1.00 0.00 N -ATOM 878 H LYS A 52 2.365 0.662 6.987 1.00 0.00 H -ATOM 879 HA LYS A 52 0.300 -0.201 5.107 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -1.005 -1.268 6.816 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.611 -1.929 6.916 1.00 0.00 H -ATOM 882 HG2 LYS A 52 -0.424 0.231 8.766 1.00 0.00 H -ATOM 883 HG3 LYS A 52 -0.563 -1.486 9.110 1.00 0.00 H -ATOM 884 HD2 LYS A 52 1.879 -1.680 9.108 1.00 0.00 H -ATOM 885 HD3 LYS A 52 2.025 0.029 8.707 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.014 0.662 10.774 1.00 0.00 H -ATOM 887 HE3 LYS A 52 0.667 -1.012 11.193 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 2.610 -0.094 12.363 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 3.454 0.087 10.911 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 3.009 -1.428 11.453 1.00 0.00 H -ATOM 891 N ILE A 53 -1.210 1.653 5.700 1.00 0.00 N -ATOM 892 CA ILE A 53 -2.044 2.804 5.931 1.00 0.00 C -ATOM 893 C ILE A 53 -3.458 2.320 6.160 1.00 0.00 C -ATOM 894 O ILE A 53 -3.939 1.450 5.435 1.00 0.00 O -ATOM 895 CB ILE A 53 -2.008 3.826 4.743 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.581 4.380 4.551 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -2.997 4.973 4.985 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.443 5.387 3.421 1.00 0.00 C -ATOM 899 H ILE A 53 -1.433 1.040 4.963 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.694 3.287 6.831 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.308 3.309 3.843 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.276 4.876 5.459 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.091 3.558 4.355 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -2.964 5.659 4.151 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.727 5.496 5.890 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.995 4.573 5.086 1.00 0.00 H -ATOM 907 HD11 ILE A 53 0.592 5.682 3.326 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -1.038 6.258 3.651 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -0.785 4.950 2.495 1.00 0.00 H -ATOM 910 N LYS A 54 -4.089 2.826 7.186 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.443 2.452 7.505 1.00 0.00 C -ATOM 912 C LYS A 54 -6.412 3.613 7.325 1.00 0.00 C -ATOM 913 O LYS A 54 -6.026 4.792 7.438 1.00 0.00 O -ATOM 914 CB LYS A 54 -5.537 1.792 8.909 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.786 2.507 10.030 1.00 0.00 C -ATOM 916 CD LYS A 54 -5.391 3.845 10.404 1.00 0.00 C -ATOM 917 CE LYS A 54 -4.474 4.567 11.343 1.00 0.00 C -ATOM 918 NZ LYS A 54 -5.005 5.868 11.785 1.00 0.00 N -ATOM 919 H LYS A 54 -3.639 3.491 7.747 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.707 1.710 6.770 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -6.576 1.737 9.198 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -5.149 0.788 8.840 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.790 1.876 10.907 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -3.764 2.658 9.713 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -5.528 4.436 9.511 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -6.342 3.684 10.888 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -4.299 3.934 12.199 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -3.551 4.716 10.804 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -5.888 5.756 12.323 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -5.184 6.505 10.985 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -4.312 6.329 12.409 1.00 0.00 H -ATOM 932 N LEU A 55 -7.634 3.297 6.990 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.643 4.287 6.850 1.00 0.00 C -ATOM 934 C LEU A 55 -9.467 4.487 8.086 1.00 0.00 C -ATOM 935 O LEU A 55 -9.899 3.535 8.754 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.557 4.057 5.663 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.042 4.482 4.291 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -10.143 4.338 3.283 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -8.520 5.917 4.307 1.00 0.00 C -ATOM 940 H LEU A 55 -7.854 2.359 6.795 1.00 0.00 H -ATOM 941 HA LEU A 55 -8.119 5.210 6.672 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -9.773 2.999 5.623 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -10.481 4.574 5.862 1.00 0.00 H -ATOM 944 HG LEU A 55 -8.244 3.830 3.971 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -9.796 4.662 2.313 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -10.993 4.934 3.580 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -10.425 3.299 3.232 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -8.247 6.202 3.301 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -7.640 5.981 4.928 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -9.283 6.585 4.677 1.00 0.00 H -ATOM 951 N ARG A 56 -9.681 5.740 8.350 1.00 0.00 N -ATOM 952 CA ARG A 56 -10.508 6.249 9.424 1.00 0.00 C -ATOM 953 C ARG A 56 -11.977 5.809 9.262 1.00 0.00 C -ATOM 954 O ARG A 56 -12.677 5.573 10.248 1.00 0.00 O -ATOM 955 CB ARG A 56 -10.419 7.789 9.388 1.00 0.00 C -ATOM 956 CG ARG A 56 -10.782 8.373 8.017 1.00 0.00 C -ATOM 957 CD ARG A 56 -10.646 9.872 7.946 1.00 0.00 C -ATOM 958 NE ARG A 56 -10.899 10.348 6.577 1.00 0.00 N -ATOM 959 CZ ARG A 56 -10.672 11.582 6.123 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -10.241 12.532 6.937 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -10.906 11.854 4.853 1.00 0.00 N -ATOM 962 H ARG A 56 -9.212 6.396 7.788 1.00 0.00 H -ATOM 963 HA ARG A 56 -10.116 5.911 10.371 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -11.087 8.203 10.127 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -9.406 8.084 9.618 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -10.132 7.941 7.269 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -11.801 8.099 7.789 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -11.353 10.327 8.624 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -9.640 10.147 8.225 1.00 0.00 H -ATOM 970 HE ARG A 56 -11.256 9.675 5.951 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -10.082 12.361 7.912 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -10.051 13.470 6.636 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -11.244 11.137 4.232 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -10.797 12.767 4.452 1.00 0.00 H -ATOM 975 N SER A 57 -12.407 5.673 8.020 1.00 0.00 N -ATOM 976 CA SER A 57 -13.779 5.400 7.690 1.00 0.00 C -ATOM 977 C SER A 57 -14.226 3.956 8.041 1.00 0.00 C -ATOM 978 O SER A 57 -14.740 3.707 9.128 1.00 0.00 O -ATOM 979 CB SER A 57 -13.983 5.705 6.211 1.00 0.00 C -ATOM 980 OG SER A 57 -13.369 6.946 5.882 1.00 0.00 O -ATOM 981 H SER A 57 -11.787 5.807 7.275 1.00 0.00 H -ATOM 982 HA SER A 57 -14.389 6.092 8.252 1.00 0.00 H -ATOM 983 HB2 SER A 57 -13.539 4.925 5.611 1.00 0.00 H -ATOM 984 HB3 SER A 57 -15.038 5.778 5.995 1.00 0.00 H -ATOM 985 HG SER A 57 -14.073 7.566 5.650 1.00 0.00 H -ATOM 986 N SER A 58 -13.995 3.021 7.152 1.00 0.00 N -ATOM 987 CA SER A 58 -14.477 1.673 7.325 1.00 0.00 C -ATOM 988 C SER A 58 -13.392 0.679 7.788 1.00 0.00 C -ATOM 989 O SER A 58 -13.663 -0.518 7.962 1.00 0.00 O -ATOM 990 CB SER A 58 -15.118 1.265 6.020 1.00 0.00 C -ATOM 991 OG SER A 58 -14.368 1.816 4.935 1.00 0.00 O -ATOM 992 H SER A 58 -13.541 3.196 6.300 1.00 0.00 H -ATOM 993 HA SER A 58 -15.254 1.699 8.074 1.00 0.00 H -ATOM 994 HB2 SER A 58 -15.123 0.188 5.945 1.00 0.00 H -ATOM 995 HB3 SER A 58 -16.129 1.644 5.972 1.00 0.00 H -ATOM 996 HG SER A 58 -14.906 1.712 4.144 1.00 0.00 H -ATOM 997 N GLY A 59 -12.190 1.178 8.010 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.114 0.331 8.500 1.00 0.00 C -ATOM 999 C GLY A 59 -10.474 -0.531 7.427 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.268 -1.730 7.610 1.00 0.00 O -ATOM 1001 H GLY A 59 -12.042 2.135 7.871 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.349 0.963 8.924 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.500 -0.308 9.280 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.180 0.056 6.310 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.462 -0.647 5.284 1.00 0.00 C -ATOM 1006 C TYR A 60 -8.003 -0.302 5.381 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.654 0.811 5.774 1.00 0.00 O -ATOM 1008 CB TYR A 60 -10.027 -0.369 3.890 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.316 -1.117 3.605 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.535 -0.667 4.081 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.301 -2.283 2.857 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.703 -1.360 3.818 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.460 -2.979 2.592 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.657 -2.513 3.075 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.821 -3.208 2.809 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.428 0.989 6.164 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.563 -1.699 5.505 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.227 0.688 3.794 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.298 -0.660 3.149 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.569 0.240 4.664 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.357 -2.648 2.477 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.646 -0.994 4.198 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.424 -3.885 2.007 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.490 -2.571 2.533 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.167 -1.254 5.083 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.741 -1.091 5.181 1.00 0.00 C -ATOM 1027 C ARG A 61 -5.123 -1.331 3.833 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.635 -2.122 3.030 1.00 0.00 O -ATOM 1029 CB ARG A 61 -5.087 -2.079 6.172 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.451 -1.962 7.658 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.878 -2.389 7.964 1.00 0.00 C -ATOM 1032 NE ARG A 61 -7.049 -2.712 9.384 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -8.034 -3.470 9.878 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -9.137 -3.675 9.170 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.946 -3.954 11.111 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.515 -2.097 4.717 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.528 -0.083 5.502 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.347 -3.080 5.862 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -4.016 -1.974 6.078 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.779 -2.584 8.231 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -5.319 -0.933 7.956 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -7.548 -1.584 7.701 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -7.114 -3.263 7.375 1.00 0.00 H -ATOM 1044 HE ARG A 61 -6.304 -2.401 9.952 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -9.301 -3.254 8.273 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -9.865 -4.307 9.483 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -7.143 -3.779 11.690 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -8.693 -4.488 11.514 1.00 0.00 H -ATOM 1049 N LEU A 62 -4.049 -0.676 3.594 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.304 -0.832 2.393 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.855 -1.058 2.798 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.335 -0.330 3.648 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.502 0.431 1.528 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.935 0.436 0.102 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.585 1.544 -0.686 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.445 0.664 0.109 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.735 -0.023 4.260 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.673 -1.700 1.870 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.564 0.612 1.458 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.066 1.262 2.063 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.143 -0.507 -0.383 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -4.652 1.381 -0.693 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.212 1.526 -1.699 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.368 2.497 -0.228 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.076 0.698 -0.904 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -0.961 -0.135 0.653 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.252 1.607 0.598 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.229 -2.080 2.239 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.142 -2.418 2.574 1.00 0.00 C -ATOM 1070 C VAL A 63 1.005 -2.316 1.315 1.00 0.00 C -ATOM 1071 O VAL A 63 0.732 -2.976 0.288 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.267 -3.851 3.190 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.687 -4.117 3.686 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.731 -4.049 4.328 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.681 -2.612 1.544 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.487 -1.691 3.295 1.00 0.00 H -ATOM 1077 HB VAL A 63 0.047 -4.567 2.412 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 1.934 -3.415 4.472 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.389 -4.006 2.874 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 1.752 -5.119 4.082 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -1.735 -3.912 3.953 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.540 -3.325 5.106 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -0.628 -5.047 4.728 1.00 0.00 H -ATOM 1084 N TYR A 64 2.020 -1.505 1.384 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.885 -1.250 0.255 1.00 0.00 C -ATOM 1086 C TYR A 64 4.331 -1.343 0.662 1.00 0.00 C -ATOM 1087 O TYR A 64 4.648 -1.262 1.846 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.599 0.136 -0.364 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.755 1.322 0.582 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.005 1.822 0.924 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.651 1.939 1.118 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.137 2.894 1.771 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.770 3.010 1.967 1.00 0.00 C -ATOM 1094 CZ TYR A 64 3.016 3.487 2.292 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.145 4.546 3.159 1.00 0.00 O -ATOM 1096 H TYR A 64 2.214 -1.063 2.243 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.688 -2.005 -0.492 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.272 0.295 -1.192 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.585 0.143 -0.737 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.887 1.353 0.513 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.673 1.560 0.863 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.119 3.266 2.020 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.877 3.472 2.359 1.00 0.00 H -ATOM 1104 HH TYR A 64 3.851 5.114 2.840 1.00 0.00 H -ATOM 1105 N GLN A 65 5.191 -1.548 -0.289 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.597 -1.529 -0.033 1.00 0.00 C -ATOM 1107 C GLN A 65 7.205 -0.319 -0.708 1.00 0.00 C -ATOM 1108 O GLN A 65 6.823 0.040 -1.830 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.305 -2.806 -0.508 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.186 -3.086 -2.006 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.112 -4.191 -2.494 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.784 -4.921 -3.437 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.293 -4.291 -1.912 1.00 0.00 N -ATOM 1114 H GLN A 65 4.874 -1.683 -1.212 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.734 -1.419 1.032 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.349 -2.711 -0.255 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.896 -3.648 0.033 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.170 -3.375 -2.225 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.421 -2.177 -2.541 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.542 -3.665 -1.198 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.912 -4.988 -2.215 1.00 0.00 H -ATOM 1122 N VAL A 66 8.094 0.329 -0.036 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.791 1.432 -0.620 1.00 0.00 C -ATOM 1124 C VAL A 66 10.073 0.901 -1.188 1.00 0.00 C -ATOM 1125 O VAL A 66 10.958 0.442 -0.448 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.088 2.555 0.411 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.883 3.696 -0.227 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.792 3.085 0.988 1.00 0.00 C -ATOM 1129 H VAL A 66 8.307 0.041 0.881 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.185 1.828 -1.422 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.674 2.138 1.216 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 10.819 3.315 -0.606 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 10.076 4.457 0.513 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.312 4.122 -1.040 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.250 2.271 1.447 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.190 3.521 0.204 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 8.013 3.830 1.736 1.00 0.00 H -ATOM 1138 N ILE A 67 10.173 0.905 -2.478 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.342 0.418 -3.111 1.00 0.00 C -ATOM 1140 C ILE A 67 12.235 1.600 -3.382 1.00 0.00 C -ATOM 1141 O ILE A 67 12.064 2.308 -4.377 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.028 -0.312 -4.441 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 9.925 -1.362 -4.235 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.290 -0.983 -4.965 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.479 -2.049 -5.513 1.00 0.00 C -ATOM 1146 H ILE A 67 9.448 1.260 -3.042 1.00 0.00 H -ATOM 1147 HA ILE A 67 11.839 -0.264 -2.436 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.696 0.417 -5.165 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.285 -2.126 -3.562 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.063 -0.882 -3.797 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 12.636 -1.719 -4.257 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 13.057 -0.236 -5.103 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 12.075 -1.462 -5.910 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 9.102 -1.309 -6.205 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 8.699 -2.760 -5.287 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 10.318 -2.562 -5.959 1.00 0.00 H -ATOM 1157 N ASP A 68 13.159 1.827 -2.484 1.00 0.00 N -ATOM 1158 CA ASP A 68 14.094 2.943 -2.573 1.00 0.00 C -ATOM 1159 C ASP A 68 15.016 2.724 -3.750 1.00 0.00 C -ATOM 1160 O ASP A 68 15.427 3.663 -4.418 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.905 3.047 -1.277 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.829 4.236 -1.233 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 16.972 4.141 -1.741 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 15.444 5.279 -0.656 1.00 0.00 O -ATOM 1165 H ASP A 68 13.219 1.218 -1.715 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.532 3.854 -2.719 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 14.221 3.135 -0.447 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.492 2.148 -1.158 1.00 0.00 H -ATOM 1169 N GLU A 69 15.269 1.448 -4.026 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.118 1.003 -5.124 1.00 0.00 C -ATOM 1171 C GLU A 69 15.618 1.540 -6.470 1.00 0.00 C -ATOM 1172 O GLU A 69 16.407 1.964 -7.311 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.107 -0.521 -5.178 1.00 0.00 C -ATOM 1174 CG GLU A 69 16.539 -1.193 -3.893 1.00 0.00 C -ATOM 1175 CD GLU A 69 16.424 -2.692 -3.959 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 15.335 -3.240 -3.660 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 17.413 -3.355 -4.300 1.00 0.00 O -ATOM 1178 H GLU A 69 14.872 0.780 -3.426 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.130 1.331 -4.940 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.105 -0.854 -5.410 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 16.765 -0.845 -5.970 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 17.570 -0.937 -3.697 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 15.922 -0.829 -3.087 1.00 0.00 H -ATOM 1184 N LYS A 70 14.311 1.542 -6.647 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.713 1.943 -7.915 1.00 0.00 C -ATOM 1186 C LYS A 70 13.034 3.320 -7.786 1.00 0.00 C -ATOM 1187 O LYS A 70 12.586 3.894 -8.777 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.677 0.900 -8.340 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.180 -0.538 -8.391 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.039 -1.497 -8.729 1.00 0.00 C -ATOM 1191 CE LYS A 70 12.381 -2.945 -8.378 1.00 0.00 C -ATOM 1192 NZ LYS A 70 13.558 -3.451 -9.099 1.00 0.00 N -ATOM 1193 H LYS A 70 13.729 1.274 -5.906 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.490 1.990 -8.663 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 11.905 0.912 -7.588 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.262 1.162 -9.301 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 13.945 -0.615 -9.150 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 13.594 -0.803 -7.429 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 11.160 -1.204 -8.175 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 11.833 -1.431 -9.786 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 12.572 -3.004 -7.317 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 11.528 -3.565 -8.609 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 13.369 -3.502 -10.119 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 13.799 -4.406 -8.771 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 14.396 -2.857 -8.950 1.00 0.00 H -ATOM 1206 N VAL A 71 12.976 3.841 -6.550 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.331 5.142 -6.227 1.00 0.00 C -ATOM 1208 C VAL A 71 10.786 5.054 -6.480 1.00 0.00 C -ATOM 1209 O VAL A 71 10.098 6.037 -6.792 1.00 0.00 O -ATOM 1210 CB VAL A 71 13.009 6.345 -7.016 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 12.491 7.714 -6.555 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.532 6.300 -6.867 1.00 0.00 C -ATOM 1213 H VAL A 71 13.385 3.337 -5.816 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.460 5.286 -5.163 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.770 6.234 -8.064 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 12.702 7.847 -5.504 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 11.425 7.771 -6.715 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.979 8.494 -7.122 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.906 5.367 -7.262 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.792 6.378 -5.823 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.971 7.124 -7.409 1.00 0.00 H -ATOM 1222 N VAL A 72 10.239 3.882 -6.251 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.824 3.656 -6.467 1.00 0.00 C -ATOM 1224 C VAL A 72 8.218 2.914 -5.280 1.00 0.00 C -ATOM 1225 O VAL A 72 8.850 2.043 -4.679 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.534 2.891 -7.818 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.142 1.510 -7.826 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.044 2.810 -8.124 1.00 0.00 C -ATOM 1229 H VAL A 72 10.787 3.158 -5.881 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.359 4.630 -6.517 1.00 0.00 H -ATOM 1231 HB VAL A 72 9.010 3.445 -8.612 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 8.713 0.920 -7.031 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 10.201 1.621 -7.666 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 8.957 1.043 -8.782 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.548 2.273 -7.328 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.894 2.286 -9.056 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.629 3.803 -8.197 1.00 0.00 H -ATOM 1238 N VAL A 73 7.045 3.309 -4.923 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.286 2.703 -3.884 1.00 0.00 C -ATOM 1240 C VAL A 73 5.318 1.716 -4.534 1.00 0.00 C -ATOM 1241 O VAL A 73 4.475 2.103 -5.344 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.515 3.786 -3.098 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.643 3.175 -2.034 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.482 4.788 -2.482 1.00 0.00 C -ATOM 1245 H VAL A 73 6.630 4.065 -5.395 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.956 2.177 -3.220 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.893 4.318 -3.802 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 4.118 3.958 -1.506 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 5.261 2.625 -1.339 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.929 2.507 -2.490 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 7.051 5.267 -3.265 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 7.159 4.273 -1.816 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 5.929 5.534 -1.931 1.00 0.00 H -ATOM 1254 N PHE A 74 5.461 0.470 -4.207 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.691 -0.583 -4.823 1.00 0.00 C -ATOM 1256 C PHE A 74 3.664 -1.132 -3.847 1.00 0.00 C -ATOM 1257 O PHE A 74 4.020 -1.654 -2.788 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.648 -1.693 -5.283 1.00 0.00 C -ATOM 1259 CG PHE A 74 4.995 -2.870 -5.954 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.591 -2.794 -7.272 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 4.809 -4.062 -5.268 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.015 -3.878 -7.896 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.230 -5.150 -5.886 1.00 0.00 C -ATOM 1264 CZ PHE A 74 3.835 -5.056 -7.204 1.00 0.00 C -ATOM 1265 H PHE A 74 6.093 0.235 -3.490 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.188 -0.182 -5.690 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.358 -1.273 -5.979 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.189 -2.058 -4.423 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 4.733 -1.872 -7.817 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.120 -4.132 -4.236 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 3.704 -3.802 -8.927 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.090 -6.073 -5.344 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.383 -5.903 -7.697 1.00 0.00 H -ATOM 1274 N VAL A 75 2.402 -0.998 -4.188 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.333 -1.529 -3.371 1.00 0.00 C -ATOM 1276 C VAL A 75 1.248 -3.023 -3.599 1.00 0.00 C -ATOM 1277 O VAL A 75 1.040 -3.475 -4.732 1.00 0.00 O -ATOM 1278 CB VAL A 75 -0.034 -0.867 -3.708 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.171 -1.466 -2.878 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.041 0.639 -3.502 1.00 0.00 C -ATOM 1281 H VAL A 75 2.179 -0.532 -5.025 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.576 -1.341 -2.335 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.251 -1.055 -4.749 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.265 -2.518 -3.106 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -2.101 -0.966 -3.102 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -0.948 -1.353 -1.827 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.327 0.852 -2.483 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 -0.923 1.079 -3.706 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.777 1.055 -4.175 1.00 0.00 H -ATOM 1290 N ILE A 76 1.406 -3.777 -2.534 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.391 -5.218 -2.629 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.019 -5.717 -2.384 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.510 -6.616 -3.062 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.330 -5.884 -1.572 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.751 -5.287 -1.621 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.391 -7.397 -1.812 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.689 -5.824 -0.539 1.00 0.00 C -ATOM 1298 H ILE A 76 1.526 -3.355 -1.657 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.716 -5.506 -3.618 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.904 -5.715 -0.593 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.192 -5.512 -2.580 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.685 -4.215 -1.506 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 3.063 -7.849 -1.099 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 2.749 -7.589 -2.812 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 1.403 -7.819 -1.696 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 5.662 -5.366 -0.636 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.790 -6.894 -0.638 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 4.289 -5.604 0.440 1.00 0.00 H -ATOM 1309 N SER A 77 -0.679 -5.132 -1.408 1.00 0.00 N -ATOM 1310 CA SER A 77 -1.995 -5.568 -1.037 1.00 0.00 C -ATOM 1311 C SER A 77 -2.823 -4.417 -0.518 1.00 0.00 C -ATOM 1312 O SER A 77 -2.288 -3.428 0.002 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.889 -6.646 0.030 1.00 0.00 C -ATOM 1314 OG SER A 77 -1.141 -7.735 -0.442 1.00 0.00 O -ATOM 1315 H SER A 77 -0.289 -4.379 -0.911 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.473 -5.997 -1.904 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.389 -6.239 0.897 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.876 -6.988 0.301 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.940 -7.582 -1.375 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.111 -4.542 -0.662 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.033 -3.566 -0.196 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.322 -4.283 0.196 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.723 -5.253 -0.459 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.283 -2.462 -1.277 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.882 -3.027 -2.553 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.129 -1.336 -0.732 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.499 -5.333 -1.095 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.609 -3.113 0.689 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.317 -2.058 -1.540 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -6.825 -3.502 -2.325 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.208 -3.756 -2.977 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -6.043 -2.228 -3.262 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.622 -0.896 0.114 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -7.091 -1.718 -0.423 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.261 -0.586 -1.497 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.909 -3.880 1.284 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.124 -4.485 1.727 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.277 -4.378 3.212 1.00 0.00 C -ATOM 1339 O GLY A 79 -8.375 -3.293 3.747 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.512 -3.158 1.826 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.953 -3.985 1.249 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.132 -5.526 1.444 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.262 -5.486 3.886 1.00 0.00 N -ATOM 1344 CA LYS A 80 -8.451 -5.514 5.320 1.00 0.00 C -ATOM 1345 C LYS A 80 -7.310 -6.295 5.950 1.00 0.00 C -ATOM 1346 O LYS A 80 -6.701 -7.128 5.281 1.00 0.00 O -ATOM 1347 CB LYS A 80 -9.831 -6.088 5.632 1.00 0.00 C -ATOM 1348 CG LYS A 80 -10.949 -5.197 5.095 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.330 -5.798 5.229 1.00 0.00 C -ATOM 1350 CE LYS A 80 -12.742 -6.005 6.669 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -14.142 -6.466 6.759 1.00 0.00 N -ATOM 1352 H LYS A 80 -8.102 -6.340 3.432 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.395 -4.493 5.669 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -9.915 -7.066 5.180 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -9.946 -6.174 6.702 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -10.935 -4.264 5.636 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -10.750 -4.998 4.051 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -13.040 -5.133 4.761 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -12.338 -6.747 4.715 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -12.097 -6.750 7.110 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -12.639 -5.075 7.207 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -14.413 -6.633 7.749 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -14.296 -7.339 6.219 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -14.778 -5.734 6.381 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.009 -6.044 7.214 1.00 0.00 N -ATOM 1366 CA ALA A 81 -5.786 -6.593 7.797 1.00 0.00 C -ATOM 1367 C ALA A 81 -5.992 -7.296 9.132 1.00 0.00 C -ATOM 1368 O ALA A 81 -5.027 -7.747 9.747 1.00 0.00 O -ATOM 1369 CB ALA A 81 -4.761 -5.486 7.949 1.00 0.00 C -ATOM 1370 H ALA A 81 -7.625 -5.521 7.767 1.00 0.00 H -ATOM 1371 HA ALA A 81 -5.378 -7.305 7.095 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -3.831 -5.881 8.326 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -5.139 -4.746 8.639 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -4.592 -5.022 6.989 1.00 0.00 H -ATOM 1375 N GLU A 82 -7.220 -7.448 9.558 1.00 0.00 N -ATOM 1376 CA GLU A 82 -7.491 -8.071 10.849 1.00 0.00 C -ATOM 1377 C GLU A 82 -7.386 -9.588 10.781 1.00 0.00 C -ATOM 1378 O GLU A 82 -7.311 -10.258 11.804 1.00 0.00 O -ATOM 1379 CB GLU A 82 -8.829 -7.612 11.497 1.00 0.00 C -ATOM 1380 CG GLU A 82 -10.087 -7.785 10.653 1.00 0.00 C -ATOM 1381 CD GLU A 82 -10.158 -6.817 9.506 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -9.599 -7.110 8.448 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -10.730 -5.733 9.664 1.00 0.00 O -ATOM 1384 H GLU A 82 -7.988 -7.179 8.998 1.00 0.00 H -ATOM 1385 HA GLU A 82 -6.679 -7.750 11.486 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -8.974 -8.183 12.403 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -8.738 -6.570 11.764 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -10.079 -8.788 10.253 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -10.954 -7.654 11.283 1.00 0.00 H -ATOM 1390 N ALA A 83 -7.393 -10.126 9.579 1.00 0.00 N -ATOM 1391 CA ALA A 83 -7.199 -11.553 9.391 1.00 0.00 C -ATOM 1392 C ALA A 83 -5.763 -11.818 8.951 1.00 0.00 C -ATOM 1393 O ALA A 83 -5.353 -12.953 8.776 1.00 0.00 O -ATOM 1394 CB ALA A 83 -8.193 -12.098 8.376 1.00 0.00 C -ATOM 1395 H ALA A 83 -7.549 -9.561 8.791 1.00 0.00 H -ATOM 1396 HA ALA A 83 -7.365 -12.036 10.342 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -8.044 -11.606 7.427 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -9.200 -11.915 8.721 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -8.040 -13.160 8.256 1.00 0.00 H -ATOM 1400 N SER A 84 -5.015 -10.723 8.774 1.00 0.00 N -ATOM 1401 CA SER A 84 -3.601 -10.728 8.383 1.00 0.00 C -ATOM 1402 C SER A 84 -3.343 -11.324 6.976 1.00 0.00 C -ATOM 1403 O SER A 84 -2.193 -11.560 6.586 1.00 0.00 O -ATOM 1404 CB SER A 84 -2.745 -11.415 9.453 1.00 0.00 C -ATOM 1405 OG SER A 84 -2.888 -10.747 10.702 1.00 0.00 O -ATOM 1406 H SER A 84 -5.442 -9.859 8.940 1.00 0.00 H -ATOM 1407 HA SER A 84 -3.328 -9.685 8.359 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -3.064 -12.442 9.563 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -1.707 -11.387 9.157 1.00 0.00 H -ATOM 1410 HG SER A 84 -3.632 -11.163 11.159 1.00 0.00 H -ATOM 1411 N GLU A 85 -4.394 -11.458 6.194 1.00 0.00 N -ATOM 1412 CA GLU A 85 -4.331 -12.064 4.874 1.00 0.00 C -ATOM 1413 C GLU A 85 -3.518 -11.224 3.891 1.00 0.00 C -ATOM 1414 O GLU A 85 -2.911 -11.754 2.955 1.00 0.00 O -ATOM 1415 CB GLU A 85 -5.733 -12.317 4.359 1.00 0.00 C -ATOM 1416 CG GLU A 85 -6.543 -13.238 5.259 1.00 0.00 C -ATOM 1417 CD GLU A 85 -5.926 -14.607 5.402 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -5.020 -14.793 6.234 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -6.340 -15.531 4.682 1.00 0.00 O -ATOM 1420 H GLU A 85 -5.268 -11.152 6.518 1.00 0.00 H -ATOM 1421 HA GLU A 85 -3.836 -13.017 4.988 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -6.251 -11.373 4.272 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -5.667 -12.769 3.384 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -6.611 -12.793 6.240 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -7.532 -13.341 4.840 1.00 0.00 H -ATOM 1426 N VAL A 86 -3.498 -9.922 4.105 1.00 0.00 N -ATOM 1427 CA VAL A 86 -2.710 -9.024 3.261 1.00 0.00 C -ATOM 1428 C VAL A 86 -1.210 -9.167 3.544 1.00 0.00 C -ATOM 1429 O VAL A 86 -0.374 -8.862 2.704 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.146 -7.532 3.389 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -4.545 -7.334 2.827 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -3.094 -7.067 4.840 1.00 0.00 C -ATOM 1433 H VAL A 86 -4.038 -9.569 4.843 1.00 0.00 H -ATOM 1434 HA VAL A 86 -2.869 -9.342 2.241 1.00 0.00 H -ATOM 1435 HB VAL A 86 -2.462 -6.924 2.811 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -5.242 -7.950 3.376 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -4.558 -7.619 1.786 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -4.830 -6.296 2.920 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -3.763 -7.673 5.433 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -3.398 -6.032 4.899 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -2.087 -7.171 5.215 1.00 0.00 H -ATOM 1442 N TYR A 87 -0.875 -9.683 4.715 1.00 0.00 N -ATOM 1443 CA TYR A 87 0.521 -9.859 5.076 1.00 0.00 C -ATOM 1444 C TYR A 87 1.037 -11.123 4.443 1.00 0.00 C -ATOM 1445 O TYR A 87 2.222 -11.252 4.192 1.00 0.00 O -ATOM 1446 CB TYR A 87 0.725 -9.905 6.594 1.00 0.00 C -ATOM 1447 CG TYR A 87 0.258 -8.662 7.318 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 -1.071 -8.498 7.628 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 1.143 -7.657 7.681 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 -1.526 -7.385 8.280 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 0.697 -6.527 8.341 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -0.644 -6.399 8.639 1.00 0.00 C -ATOM 1453 OH TYR A 87 -1.104 -5.274 9.284 1.00 0.00 O -ATOM 1454 H TYR A 87 -1.572 -9.976 5.340 1.00 0.00 H -ATOM 1455 HA TYR A 87 1.067 -9.023 4.665 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 0.189 -10.750 6.999 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 1.778 -10.031 6.796 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 -1.756 -9.279 7.337 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 2.193 -7.765 7.448 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 -2.575 -7.301 8.511 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 1.394 -5.751 8.619 1.00 0.00 H -ATOM 1462 HH TYR A 87 -0.558 -4.527 9.013 1.00 0.00 H -ATOM 1463 N SER A 88 0.120 -12.041 4.154 1.00 0.00 N -ATOM 1464 CA SER A 88 0.450 -13.285 3.494 1.00 0.00 C -ATOM 1465 C SER A 88 0.994 -13.002 2.079 1.00 0.00 C -ATOM 1466 O SER A 88 1.906 -13.680 1.603 1.00 0.00 O -ATOM 1467 CB SER A 88 -0.789 -14.182 3.459 1.00 0.00 C -ATOM 1468 OG SER A 88 -1.316 -14.346 4.782 1.00 0.00 O -ATOM 1469 H SER A 88 -0.816 -11.889 4.404 1.00 0.00 H -ATOM 1470 HA SER A 88 1.224 -13.768 4.071 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -1.545 -13.727 2.834 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -0.523 -15.150 3.065 1.00 0.00 H -ATOM 1473 HG SER A 88 -0.573 -14.629 5.333 1.00 0.00 H -ATOM 1474 N GLU A 89 0.447 -11.977 1.434 1.00 0.00 N -ATOM 1475 CA GLU A 89 0.956 -11.529 0.152 1.00 0.00 C -ATOM 1476 C GLU A 89 2.283 -10.837 0.333 1.00 0.00 C -ATOM 1477 O GLU A 89 3.262 -11.185 -0.310 1.00 0.00 O -ATOM 1478 CB GLU A 89 -0.015 -10.578 -0.525 1.00 0.00 C -ATOM 1479 CG GLU A 89 -1.191 -11.234 -1.201 1.00 0.00 C -ATOM 1480 CD GLU A 89 -0.752 -12.080 -2.365 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -0.017 -11.576 -3.240 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -1.098 -13.286 -2.412 1.00 0.00 O -ATOM 1483 H GLU A 89 -0.316 -11.508 1.832 1.00 0.00 H -ATOM 1484 HA GLU A 89 1.095 -12.395 -0.477 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -0.396 -9.891 0.216 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 0.528 -10.012 -1.268 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -1.698 -11.863 -0.483 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -1.866 -10.471 -1.559 1.00 0.00 H -ATOM 1489 N ALA A 90 2.311 -9.894 1.259 1.00 0.00 N -ATOM 1490 CA ALA A 90 3.485 -9.085 1.528 1.00 0.00 C -ATOM 1491 C ALA A 90 4.728 -9.920 1.848 1.00 0.00 C -ATOM 1492 O ALA A 90 5.768 -9.756 1.213 1.00 0.00 O -ATOM 1493 CB ALA A 90 3.194 -8.092 2.643 1.00 0.00 C -ATOM 1494 H ALA A 90 1.491 -9.723 1.769 1.00 0.00 H -ATOM 1495 HA ALA A 90 3.699 -8.517 0.636 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 2.301 -7.533 2.402 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 4.026 -7.411 2.744 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 3.048 -8.625 3.571 1.00 0.00 H -ATOM 1499 N VAL A 91 4.604 -10.844 2.788 1.00 0.00 N -ATOM 1500 CA VAL A 91 5.745 -11.632 3.236 1.00 0.00 C -ATOM 1501 C VAL A 91 6.269 -12.575 2.122 1.00 0.00 C -ATOM 1502 O VAL A 91 7.483 -12.718 1.933 1.00 0.00 O -ATOM 1503 CB VAL A 91 5.431 -12.413 4.562 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 4.418 -13.540 4.369 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 6.698 -12.916 5.225 1.00 0.00 C -ATOM 1506 H VAL A 91 3.721 -10.994 3.196 1.00 0.00 H -ATOM 1507 HA VAL A 91 6.536 -10.924 3.438 1.00 0.00 H -ATOM 1508 HB VAL A 91 4.969 -11.701 5.230 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 3.488 -13.128 4.004 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 4.246 -14.039 5.312 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 4.804 -14.249 3.650 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 6.447 -13.455 6.127 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 7.334 -12.078 5.469 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 7.212 -13.573 4.542 1.00 0.00 H -ATOM 1515 N LYS A 92 5.355 -13.145 1.343 1.00 0.00 N -ATOM 1516 CA LYS A 92 5.719 -14.068 0.264 1.00 0.00 C -ATOM 1517 C LYS A 92 6.252 -13.333 -0.956 1.00 0.00 C -ATOM 1518 O LYS A 92 7.011 -13.901 -1.759 1.00 0.00 O -ATOM 1519 CB LYS A 92 4.523 -14.937 -0.140 1.00 0.00 C -ATOM 1520 CG LYS A 92 4.150 -16.035 0.850 1.00 0.00 C -ATOM 1521 CD LYS A 92 5.230 -17.109 0.918 1.00 0.00 C -ATOM 1522 CE LYS A 92 4.790 -18.297 1.761 1.00 0.00 C -ATOM 1523 NZ LYS A 92 4.597 -17.951 3.182 1.00 0.00 N -ATOM 1524 H LYS A 92 4.408 -12.938 1.490 1.00 0.00 H -ATOM 1525 HA LYS A 92 6.498 -14.714 0.641 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 3.663 -14.295 -0.257 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 4.742 -15.400 -1.092 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 4.029 -15.597 1.829 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 3.220 -16.489 0.540 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 5.444 -17.453 -0.083 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 6.122 -16.685 1.353 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 3.852 -18.660 1.367 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 5.529 -19.080 1.679 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 5.502 -17.670 3.612 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 4.227 -18.765 3.710 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 3.927 -17.166 3.293 1.00 0.00 H -ATOM 1537 N ARG A 93 5.867 -12.087 -1.098 1.00 0.00 N -ATOM 1538 CA ARG A 93 6.257 -11.306 -2.245 1.00 0.00 C -ATOM 1539 C ARG A 93 7.692 -10.824 -2.103 1.00 0.00 C -ATOM 1540 O ARG A 93 8.397 -10.624 -3.104 1.00 0.00 O -ATOM 1541 CB ARG A 93 5.336 -10.103 -2.411 1.00 0.00 C -ATOM 1542 CG ARG A 93 5.468 -9.415 -3.753 1.00 0.00 C -ATOM 1543 CD ARG A 93 4.921 -10.293 -4.872 1.00 0.00 C -ATOM 1544 NE ARG A 93 3.481 -10.522 -4.705 1.00 0.00 N -ATOM 1545 CZ ARG A 93 2.547 -9.988 -5.493 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 2.905 -9.432 -6.652 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 1.252 -10.068 -5.170 1.00 0.00 N -ATOM 1548 H ARG A 93 5.269 -11.684 -0.429 1.00 0.00 H -ATOM 1549 HA ARG A 93 6.173 -11.931 -3.121 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 4.314 -10.431 -2.297 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 5.564 -9.385 -1.637 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 4.917 -8.486 -3.731 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 6.512 -9.214 -3.943 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 5.096 -9.799 -5.815 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 5.431 -11.245 -4.869 1.00 0.00 H -ATOM 1556 HE ARG A 93 3.230 -11.060 -3.915 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 3.848 -9.393 -6.986 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 2.220 -8.996 -7.255 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 0.898 -10.533 -4.343 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 0.553 -9.614 -5.743 1.00 0.00 H -ATOM 1561 N ILE A 94 8.131 -10.649 -0.869 1.00 0.00 N -ATOM 1562 CA ILE A 94 9.458 -10.133 -0.617 1.00 0.00 C -ATOM 1563 C ILE A 94 10.526 -11.227 -0.748 1.00 0.00 C -ATOM 1564 O ILE A 94 10.917 -11.870 0.247 1.00 0.00 O -ATOM 1565 CB ILE A 94 9.588 -9.410 0.758 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 8.513 -8.313 0.918 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 10.974 -8.796 0.904 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 8.543 -7.225 -0.142 1.00 0.00 C -ATOM 1569 H ILE A 94 7.544 -10.873 -0.116 1.00 0.00 H -ATOM 1570 HA ILE A 94 9.651 -9.412 -1.398 1.00 0.00 H -ATOM 1571 HB ILE A 94 9.457 -10.146 1.537 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 7.535 -8.770 0.880 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 8.639 -7.841 1.882 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 11.110 -8.031 0.155 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 11.715 -9.567 0.758 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 11.081 -8.368 1.889 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 8.365 -7.659 -1.114 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 9.509 -6.743 -0.135 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 7.775 -6.495 0.072 1.00 0.00 H -ATOM 1580 N LEU A 95 10.857 -11.500 -1.995 1.00 0.00 N -ATOM 1581 CA LEU A 95 11.906 -12.344 -2.461 1.00 0.00 C -ATOM 1582 C LEU A 95 11.616 -12.473 -3.945 1.00 0.00 C -ATOM 1583 O LEU A 95 11.999 -11.575 -4.708 1.00 0.00 O -ATOM 1584 CB LEU A 95 11.856 -13.720 -1.799 1.00 0.00 C -ATOM 1585 CG LEU A 95 13.144 -14.548 -1.779 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 13.693 -14.876 -3.168 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 14.209 -13.906 -0.901 1.00 0.00 C -ATOM 1588 OXT LEU A 95 10.887 -13.414 -4.333 1.00 0.00 O -ATOM 1589 H LEU A 95 10.319 -11.143 -2.727 1.00 0.00 H -ATOM 1590 HA LEU A 95 12.857 -11.856 -2.305 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 11.554 -13.570 -0.772 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 11.088 -14.294 -2.293 1.00 0.00 H -ATOM 1593 HG LEU A 95 12.829 -15.453 -1.297 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 14.607 -15.441 -3.065 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 13.896 -13.960 -3.702 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 12.972 -15.461 -3.721 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 14.444 -12.920 -1.275 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 15.101 -14.515 -0.917 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 13.843 -13.829 0.111 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 2 -ATOM 1 N MET A 1 10.726 15.915 -2.601 1.00 0.00 N -ATOM 2 CA MET A 1 10.985 14.608 -3.191 1.00 0.00 C -ATOM 3 C MET A 1 9.729 13.782 -3.156 1.00 0.00 C -ATOM 4 O MET A 1 9.013 13.777 -2.164 1.00 0.00 O -ATOM 5 CB MET A 1 12.117 13.889 -2.453 1.00 0.00 C -ATOM 6 CG MET A 1 12.424 12.491 -2.970 1.00 0.00 C -ATOM 7 SD MET A 1 12.894 12.483 -4.711 1.00 0.00 S -ATOM 8 CE MET A 1 13.101 10.732 -4.985 1.00 0.00 C -ATOM 9 H MET A 1 10.407 15.795 -1.620 1.00 0.00 H -ATOM 10 HA MET A 1 11.269 14.755 -4.221 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.016 14.479 -2.543 1.00 0.00 H -ATOM 12 HB3 MET A 1 11.835 13.807 -1.416 1.00 0.00 H -ATOM 13 HG2 MET A 1 13.236 12.074 -2.392 1.00 0.00 H -ATOM 14 HG3 MET A 1 11.547 11.874 -2.846 1.00 0.00 H -ATOM 15 HE1 MET A 1 13.394 10.563 -6.011 1.00 0.00 H -ATOM 16 HE2 MET A 1 12.168 10.226 -4.785 1.00 0.00 H -ATOM 17 HE3 MET A 1 13.866 10.356 -4.324 1.00 0.00 H -ATOM 18 N ALA A 2 9.466 13.101 -4.228 1.00 0.00 N -ATOM 19 CA ALA A 2 8.300 12.265 -4.342 1.00 0.00 C -ATOM 20 C ALA A 2 8.678 10.977 -5.035 1.00 0.00 C -ATOM 21 O ALA A 2 9.739 10.887 -5.655 1.00 0.00 O -ATOM 22 CB ALA A 2 7.195 12.981 -5.112 1.00 0.00 C -ATOM 23 H ALA A 2 10.102 13.152 -4.974 1.00 0.00 H -ATOM 24 HA ALA A 2 7.944 12.042 -3.348 1.00 0.00 H -ATOM 25 HB1 ALA A 2 6.328 12.341 -5.174 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.544 13.212 -6.107 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.932 13.893 -4.597 1.00 0.00 H -ATOM 28 N TYR A 3 7.841 9.995 -4.924 1.00 0.00 N -ATOM 29 CA TYR A 3 8.077 8.704 -5.532 1.00 0.00 C -ATOM 30 C TYR A 3 6.999 8.425 -6.558 1.00 0.00 C -ATOM 31 O TYR A 3 6.035 9.205 -6.695 1.00 0.00 O -ATOM 32 CB TYR A 3 8.037 7.587 -4.471 1.00 0.00 C -ATOM 33 CG TYR A 3 9.170 7.559 -3.461 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.398 8.614 -2.586 1.00 0.00 C -ATOM 35 CD2 TYR A 3 9.999 6.451 -3.374 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.418 8.563 -1.662 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.013 6.390 -2.448 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.218 7.445 -1.595 1.00 0.00 C -ATOM 39 OH TYR A 3 12.221 7.384 -0.662 1.00 0.00 O -ATOM 40 H TYR A 3 7.009 10.129 -4.425 1.00 0.00 H -ATOM 41 HA TYR A 3 9.048 8.706 -6.003 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.121 7.681 -3.906 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.026 6.636 -4.985 1.00 0.00 H -ATOM 44 HD1 TYR A 3 8.767 9.489 -2.643 1.00 0.00 H -ATOM 45 HD2 TYR A 3 9.839 5.622 -4.047 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.581 9.392 -0.990 1.00 0.00 H -ATOM 47 HE2 TYR A 3 11.647 5.519 -2.396 1.00 0.00 H -ATOM 48 HH TYR A 3 12.972 6.876 -1.018 1.00 0.00 H -ATOM 49 N PHE A 4 7.168 7.356 -7.287 1.00 0.00 N -ATOM 50 CA PHE A 4 6.152 6.876 -8.193 1.00 0.00 C -ATOM 51 C PHE A 4 5.248 5.944 -7.407 1.00 0.00 C -ATOM 52 O PHE A 4 5.638 5.471 -6.347 1.00 0.00 O -ATOM 53 CB PHE A 4 6.785 6.119 -9.373 1.00 0.00 C -ATOM 54 CG PHE A 4 7.675 6.959 -10.247 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.133 7.800 -11.203 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.053 6.903 -10.115 1.00 0.00 C -ATOM 57 CE1 PHE A 4 7.948 8.568 -12.010 1.00 0.00 C -ATOM 58 CE2 PHE A 4 9.873 7.667 -10.918 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.320 8.500 -11.867 1.00 0.00 C -ATOM 60 H PHE A 4 8.013 6.857 -7.208 1.00 0.00 H -ATOM 61 HA PHE A 4 5.581 7.718 -8.556 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.392 5.320 -8.975 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.008 5.690 -9.987 1.00 0.00 H -ATOM 64 HD1 PHE A 4 6.060 7.852 -11.313 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.487 6.251 -9.371 1.00 0.00 H -ATOM 66 HE1 PHE A 4 7.509 9.219 -12.751 1.00 0.00 H -ATOM 67 HE2 PHE A 4 10.945 7.614 -10.804 1.00 0.00 H -ATOM 68 HZ PHE A 4 9.961 9.098 -12.498 1.00 0.00 H -ATOM 69 N LEU A 5 4.066 5.697 -7.886 1.00 0.00 N -ATOM 70 CA LEU A 5 3.146 4.813 -7.193 1.00 0.00 C -ATOM 71 C LEU A 5 2.690 3.735 -8.175 1.00 0.00 C -ATOM 72 O LEU A 5 2.270 4.056 -9.301 1.00 0.00 O -ATOM 73 CB LEU A 5 1.929 5.638 -6.676 1.00 0.00 C -ATOM 74 CG LEU A 5 1.070 5.058 -5.511 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.431 3.720 -5.837 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.878 4.964 -4.237 1.00 0.00 C -ATOM 77 H LEU A 5 3.787 6.102 -8.735 1.00 0.00 H -ATOM 78 HA LEU A 5 3.658 4.359 -6.358 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.300 6.601 -6.355 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.276 5.803 -7.520 1.00 0.00 H -ATOM 81 HG LEU A 5 0.258 5.747 -5.329 1.00 0.00 H -ATOM 82 HD11 LEU A 5 1.203 3.026 -6.140 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.299 3.832 -6.624 1.00 0.00 H -ATOM 84 HD13 LEU A 5 -0.048 3.337 -4.947 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.741 4.338 -4.404 1.00 0.00 H -ATOM 86 HD22 LEU A 5 1.269 4.524 -3.463 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.194 5.949 -3.930 1.00 0.00 H -ATOM 88 N ASP A 6 2.786 2.479 -7.793 1.00 0.00 N -ATOM 89 CA ASP A 6 2.292 1.403 -8.646 1.00 0.00 C -ATOM 90 C ASP A 6 1.664 0.323 -7.761 1.00 0.00 C -ATOM 91 O ASP A 6 1.830 0.346 -6.536 1.00 0.00 O -ATOM 92 CB ASP A 6 3.411 0.812 -9.532 1.00 0.00 C -ATOM 93 CG ASP A 6 2.890 0.159 -10.818 1.00 0.00 C -ATOM 94 OD1 ASP A 6 1.767 -0.375 -10.843 1.00 0.00 O -ATOM 95 OD2 ASP A 6 3.571 0.240 -11.852 1.00 0.00 O -ATOM 96 H ASP A 6 3.177 2.250 -6.917 1.00 0.00 H -ATOM 97 HA ASP A 6 1.515 1.823 -9.268 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.097 1.598 -9.808 1.00 0.00 H -ATOM 99 HB3 ASP A 6 3.944 0.064 -8.965 1.00 0.00 H -ATOM 100 N PHE A 7 0.976 -0.611 -8.365 1.00 0.00 N -ATOM 101 CA PHE A 7 0.244 -1.634 -7.656 1.00 0.00 C -ATOM 102 C PHE A 7 0.597 -3.009 -8.206 1.00 0.00 C -ATOM 103 O PHE A 7 0.788 -3.176 -9.427 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.277 -1.447 -7.837 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.857 -0.131 -7.384 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -1.907 0.956 -8.246 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.376 0.010 -6.110 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.456 2.156 -7.840 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.930 1.208 -5.699 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.968 2.282 -6.566 1.00 0.00 C -ATOM 111 H PHE A 7 1.007 -0.633 -9.350 1.00 0.00 H -ATOM 112 HA PHE A 7 0.476 -1.579 -6.605 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.511 -1.549 -8.886 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.783 -2.237 -7.301 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.505 0.858 -9.244 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.344 -0.829 -5.431 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.487 2.995 -8.520 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.331 1.305 -4.701 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.400 3.219 -6.248 1.00 0.00 H -ATOM 120 N ASP A 8 0.695 -3.968 -7.318 1.00 0.00 N -ATOM 121 CA ASP A 8 0.857 -5.375 -7.670 1.00 0.00 C -ATOM 122 C ASP A 8 -0.480 -5.831 -8.236 1.00 0.00 C -ATOM 123 O ASP A 8 -1.518 -5.228 -7.912 1.00 0.00 O -ATOM 124 CB ASP A 8 1.183 -6.198 -6.403 1.00 0.00 C -ATOM 125 CG ASP A 8 1.618 -7.630 -6.686 1.00 0.00 C -ATOM 126 OD1 ASP A 8 0.786 -8.455 -7.134 1.00 0.00 O -ATOM 127 OD2 ASP A 8 2.809 -7.941 -6.471 1.00 0.00 O -ATOM 128 H ASP A 8 0.677 -3.731 -6.363 1.00 0.00 H -ATOM 129 HA ASP A 8 1.639 -5.483 -8.407 1.00 0.00 H -ATOM 130 HB2 ASP A 8 1.983 -5.707 -5.869 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.305 -6.223 -5.774 1.00 0.00 H -ATOM 132 N GLU A 9 -0.493 -6.852 -9.070 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.744 -7.319 -9.649 1.00 0.00 C -ATOM 134 C GLU A 9 -2.705 -7.793 -8.550 1.00 0.00 C -ATOM 135 O GLU A 9 -3.927 -7.647 -8.680 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.538 -8.448 -10.652 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.951 -9.696 -10.043 1.00 0.00 C -ATOM 138 CD GLU A 9 -1.265 -10.907 -10.843 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -2.412 -11.399 -10.741 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -0.389 -11.402 -11.569 1.00 0.00 O -ATOM 141 H GLU A 9 0.348 -7.319 -9.259 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.196 -6.477 -10.151 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.491 -8.702 -11.092 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.874 -8.104 -11.432 1.00 0.00 H -ATOM 145 HG2 GLU A 9 0.121 -9.580 -9.984 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -1.357 -9.819 -9.050 1.00 0.00 H -ATOM 147 N ARG A 10 -2.139 -8.335 -7.454 1.00 0.00 N -ATOM 148 CA ARG A 10 -2.936 -8.809 -6.330 1.00 0.00 C -ATOM 149 C ARG A 10 -3.658 -7.630 -5.721 1.00 0.00 C -ATOM 150 O ARG A 10 -4.860 -7.687 -5.455 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.051 -9.506 -5.275 1.00 0.00 C -ATOM 152 CG ARG A 10 -1.284 -10.700 -5.824 1.00 0.00 C -ATOM 153 CD ARG A 10 -0.405 -11.373 -4.774 1.00 0.00 C -ATOM 154 NE ARG A 10 0.458 -12.407 -5.383 1.00 0.00 N -ATOM 155 CZ ARG A 10 0.943 -13.505 -4.767 1.00 0.00 C -ATOM 156 NH1 ARG A 10 0.550 -13.832 -3.534 1.00 0.00 N -ATOM 157 NH2 ARG A 10 1.778 -14.313 -5.423 1.00 0.00 N -ATOM 158 H ARG A 10 -1.155 -8.412 -7.418 1.00 0.00 H -ATOM 159 HA ARG A 10 -3.666 -9.508 -6.709 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.337 -8.790 -4.895 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -2.675 -9.847 -4.461 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -1.998 -11.427 -6.179 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -0.670 -10.367 -6.646 1.00 0.00 H -ATOM 164 HD2 ARG A 10 0.217 -10.624 -4.306 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -1.034 -11.836 -4.029 1.00 0.00 H -ATOM 166 HE ARG A 10 0.691 -12.203 -6.319 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -0.128 -13.291 -3.010 1.00 0.00 H -ATOM 168 HH12 ARG A 10 0.891 -14.634 -3.042 1.00 0.00 H -ATOM 169 HH21 ARG A 10 2.051 -14.131 -6.373 1.00 0.00 H -ATOM 170 HH22 ARG A 10 2.173 -15.133 -5.000 1.00 0.00 H -ATOM 171 N ALA A 11 -2.926 -6.532 -5.597 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.449 -5.303 -5.056 1.00 0.00 C -ATOM 173 C ALA A 11 -4.496 -4.707 -5.980 1.00 0.00 C -ATOM 174 O ALA A 11 -5.477 -4.186 -5.516 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.333 -4.303 -4.810 1.00 0.00 C -ATOM 176 H ALA A 11 -1.992 -6.558 -5.893 1.00 0.00 H -ATOM 177 HA ALA A 11 -3.913 -5.532 -4.108 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.599 -4.735 -4.148 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -2.742 -3.409 -4.362 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -1.865 -4.051 -5.751 1.00 0.00 H -ATOM 181 N LEU A 12 -4.293 -4.831 -7.292 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.225 -4.283 -8.272 1.00 0.00 C -ATOM 183 C LEU A 12 -6.573 -4.948 -8.178 1.00 0.00 C -ATOM 184 O LEU A 12 -7.602 -4.283 -8.216 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.679 -4.412 -9.690 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.566 -3.445 -10.090 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.059 -3.787 -11.479 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.082 -2.006 -10.065 1.00 0.00 C -ATOM 189 H LEU A 12 -3.499 -5.310 -7.615 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.349 -3.236 -8.045 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.307 -5.419 -9.809 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.507 -4.279 -10.366 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.747 -3.528 -9.390 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -3.876 -3.723 -12.183 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.655 -4.788 -11.484 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -2.291 -3.082 -11.762 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -3.294 -1.335 -10.369 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -4.407 -1.745 -9.068 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.915 -1.909 -10.745 1.00 0.00 H -ATOM 200 N LYS A 13 -6.558 -6.250 -8.036 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.771 -7.031 -7.907 1.00 0.00 C -ATOM 202 C LYS A 13 -8.547 -6.606 -6.662 1.00 0.00 C -ATOM 203 O LYS A 13 -9.759 -6.394 -6.712 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.404 -8.507 -7.845 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.844 -9.049 -9.153 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.184 -10.398 -8.952 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.883 -11.096 -10.287 1.00 0.00 C -ATOM 208 NZ LYS A 13 -4.910 -10.375 -11.138 1.00 0.00 N -ATOM 209 H LYS A 13 -5.690 -6.709 -8.014 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.380 -6.856 -8.782 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -6.657 -8.641 -7.077 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.282 -9.078 -7.585 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.651 -9.153 -9.864 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -6.112 -8.350 -9.530 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.257 -10.199 -8.431 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -6.820 -11.020 -8.339 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -5.476 -12.074 -10.082 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -6.810 -11.212 -10.828 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -4.960 -10.758 -12.104 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -3.932 -10.584 -10.832 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -5.083 -9.353 -11.177 1.00 0.00 H -ATOM 222 N GLU A 14 -7.827 -6.423 -5.575 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.414 -5.993 -4.319 1.00 0.00 C -ATOM 224 C GLU A 14 -8.901 -4.530 -4.410 1.00 0.00 C -ATOM 225 O GLU A 14 -9.964 -4.187 -3.918 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.384 -6.165 -3.204 1.00 0.00 C -ATOM 227 CG GLU A 14 -6.931 -7.609 -3.008 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.020 -8.496 -2.460 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -8.962 -8.840 -3.187 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -7.987 -8.834 -1.263 1.00 0.00 O -ATOM 231 H GLU A 14 -6.859 -6.589 -5.604 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.261 -6.632 -4.114 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.516 -5.567 -3.440 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -7.813 -5.815 -2.276 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -6.642 -7.998 -3.974 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.077 -7.641 -2.351 1.00 0.00 H -ATOM 237 N TRP A 15 -8.119 -3.709 -5.073 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.393 -2.283 -5.279 1.00 0.00 C -ATOM 239 C TRP A 15 -9.681 -2.074 -6.090 1.00 0.00 C -ATOM 240 O TRP A 15 -10.498 -1.214 -5.767 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.174 -1.669 -5.998 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.245 -0.215 -6.344 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.642 0.315 -7.531 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.861 0.889 -5.517 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.546 1.679 -7.495 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.066 2.060 -6.270 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.369 1.004 -4.212 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.794 3.330 -5.765 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.100 2.264 -3.713 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.312 3.408 -4.487 1.00 0.00 C -ATOM 251 H TRP A 15 -7.276 -4.066 -5.436 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.503 -1.808 -4.315 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.303 -1.799 -5.375 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.018 -2.221 -6.913 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -7.986 -0.273 -8.370 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.783 2.269 -8.246 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.199 0.131 -3.600 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.954 4.224 -6.349 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.718 2.375 -2.709 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.085 4.371 -4.054 1.00 0.00 H -ATOM 261 N ARG A 16 -9.849 -2.859 -7.143 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.049 -2.770 -7.977 1.00 0.00 C -ATOM 263 C ARG A 16 -12.243 -3.414 -7.282 1.00 0.00 C -ATOM 264 O ARG A 16 -13.395 -3.164 -7.628 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.817 -3.399 -9.341 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.654 -2.781 -10.095 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.485 -3.417 -11.448 1.00 0.00 C -ATOM 268 NE ARG A 16 -10.574 -3.053 -12.373 1.00 0.00 N -ATOM 269 CZ ARG A 16 -11.162 -3.887 -13.238 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -10.936 -5.190 -13.167 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -12.017 -3.406 -14.140 1.00 0.00 N -ATOM 272 H ARG A 16 -9.141 -3.504 -7.365 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.266 -1.721 -8.106 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.614 -4.451 -9.206 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.708 -3.287 -9.939 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -9.841 -1.726 -10.223 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.751 -2.923 -9.519 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -8.537 -3.109 -11.863 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -9.490 -4.487 -11.301 1.00 0.00 H -ATOM 280 HE ARG A 16 -10.822 -2.099 -12.368 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -10.333 -5.608 -12.481 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -11.357 -5.859 -13.786 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -12.227 -2.425 -14.169 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -12.461 -3.984 -14.834 1.00 0.00 H -ATOM 285 N LYS A 17 -11.946 -4.276 -6.334 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.956 -4.917 -5.502 1.00 0.00 C -ATOM 287 C LYS A 17 -13.491 -3.906 -4.480 1.00 0.00 C -ATOM 288 O LYS A 17 -14.671 -3.926 -4.118 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.325 -6.102 -4.772 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.274 -6.907 -3.906 1.00 0.00 C -ATOM 291 CD LYS A 17 -12.534 -7.976 -3.118 1.00 0.00 C -ATOM 292 CE LYS A 17 -11.647 -7.373 -2.032 1.00 0.00 C -ATOM 293 NZ LYS A 17 -10.881 -8.408 -1.319 1.00 0.00 N -ATOM 294 H LYS A 17 -11.002 -4.511 -6.214 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.759 -5.267 -6.131 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -11.893 -6.768 -5.505 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.533 -5.717 -4.148 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -13.771 -6.239 -3.218 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -14.007 -7.379 -4.541 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -13.249 -8.637 -2.654 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -11.912 -8.532 -3.803 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -10.950 -6.681 -2.480 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -12.271 -6.846 -1.324 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -10.176 -8.829 -1.969 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -11.508 -9.163 -0.981 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -10.372 -8.007 -0.505 1.00 0.00 H -ATOM 307 N LEU A 18 -12.598 -3.050 -4.019 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.904 -1.990 -3.062 1.00 0.00 C -ATOM 309 C LEU A 18 -13.895 -0.990 -3.609 1.00 0.00 C -ATOM 310 O LEU A 18 -14.033 -0.823 -4.832 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.636 -1.230 -2.676 1.00 0.00 C -ATOM 312 CG LEU A 18 -11.061 -1.491 -1.292 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.696 -2.949 -1.100 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.862 -0.599 -1.064 1.00 0.00 C -ATOM 315 H LEU A 18 -11.675 -3.148 -4.337 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.306 -2.439 -2.167 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.873 -1.467 -3.402 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.853 -0.175 -2.752 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.804 -1.230 -0.555 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -9.932 -3.231 -1.812 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -11.577 -3.552 -1.263 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.336 -3.102 -0.096 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -10.188 0.431 -1.130 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -9.115 -0.797 -1.819 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.453 -0.782 -0.082 1.00 0.00 H -ATOM 326 N GLY A 19 -14.564 -0.315 -2.703 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.476 0.721 -3.078 1.00 0.00 C -ATOM 328 C GLY A 19 -14.720 1.914 -3.610 1.00 0.00 C -ATOM 329 O GLY A 19 -13.582 2.168 -3.175 1.00 0.00 O -ATOM 330 H GLY A 19 -14.419 -0.521 -1.758 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.139 0.345 -3.845 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.051 1.025 -2.218 1.00 0.00 H -ATOM 333 N SER A 20 -15.338 2.646 -4.519 1.00 0.00 N -ATOM 334 CA SER A 20 -14.698 3.764 -5.189 1.00 0.00 C -ATOM 335 C SER A 20 -14.209 4.812 -4.199 1.00 0.00 C -ATOM 336 O SER A 20 -13.066 5.193 -4.230 1.00 0.00 O -ATOM 337 CB SER A 20 -15.644 4.397 -6.214 1.00 0.00 C -ATOM 338 OG SER A 20 -14.987 5.395 -6.991 1.00 0.00 O -ATOM 339 H SER A 20 -16.265 2.414 -4.739 1.00 0.00 H -ATOM 340 HA SER A 20 -13.842 3.371 -5.717 1.00 0.00 H -ATOM 341 HB2 SER A 20 -16.019 3.635 -6.879 1.00 0.00 H -ATOM 342 HB3 SER A 20 -16.473 4.853 -5.691 1.00 0.00 H -ATOM 343 HG SER A 20 -14.675 6.127 -6.431 1.00 0.00 H -ATOM 344 N THR A 21 -15.045 5.208 -3.297 1.00 0.00 N -ATOM 345 CA THR A 21 -14.707 6.245 -2.360 1.00 0.00 C -ATOM 346 C THR A 21 -13.630 5.743 -1.394 1.00 0.00 C -ATOM 347 O THR A 21 -12.677 6.454 -1.100 1.00 0.00 O -ATOM 348 CB THR A 21 -15.962 6.695 -1.601 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.009 6.931 -2.562 1.00 0.00 O -ATOM 350 CG2 THR A 21 -15.707 7.991 -0.846 1.00 0.00 C -ATOM 351 H THR A 21 -15.919 4.777 -3.225 1.00 0.00 H -ATOM 352 HA THR A 21 -14.314 7.081 -2.919 1.00 0.00 H -ATOM 353 HB THR A 21 -16.259 5.924 -0.906 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.384 7.791 -2.335 1.00 0.00 H -ATOM 355 HG21 THR A 21 -16.604 8.287 -0.323 1.00 0.00 H -ATOM 356 HG22 THR A 21 -15.427 8.766 -1.545 1.00 0.00 H -ATOM 357 HG23 THR A 21 -14.908 7.842 -0.135 1.00 0.00 H -ATOM 358 N VAL A 22 -13.740 4.474 -1.002 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.785 3.859 -0.098 1.00 0.00 C -ATOM 360 C VAL A 22 -11.392 3.860 -0.720 1.00 0.00 C -ATOM 361 O VAL A 22 -10.412 4.273 -0.087 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.214 2.414 0.258 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -12.163 1.724 1.098 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.534 2.431 0.998 1.00 0.00 C -ATOM 365 H VAL A 22 -14.484 3.932 -1.342 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.761 4.449 0.808 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.350 1.859 -0.658 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -12.021 2.272 2.018 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -11.231 1.692 0.555 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -12.482 0.718 1.326 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.425 3.007 1.905 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -14.824 1.422 1.250 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -15.290 2.885 0.376 1.00 0.00 H -ATOM 374 N ARG A 23 -11.314 3.450 -1.972 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.052 3.456 -2.669 1.00 0.00 C -ATOM 376 C ARG A 23 -9.574 4.898 -2.895 1.00 0.00 C -ATOM 377 O ARG A 23 -8.389 5.170 -2.845 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.089 2.669 -3.990 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.070 3.196 -5.009 1.00 0.00 C -ATOM 380 CD ARG A 23 -10.738 2.737 -6.399 1.00 0.00 C -ATOM 381 NE ARG A 23 -11.555 3.423 -7.410 1.00 0.00 N -ATOM 382 CZ ARG A 23 -11.839 2.937 -8.622 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -11.417 1.728 -8.969 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -12.546 3.659 -9.474 1.00 0.00 N -ATOM 385 H ARG A 23 -12.133 3.132 -2.417 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.343 2.992 -2.001 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.103 2.680 -4.431 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.358 1.647 -3.761 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.027 2.770 -4.745 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.165 4.271 -4.964 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -9.696 2.961 -6.577 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -10.900 1.673 -6.469 1.00 0.00 H -ATOM 393 HE ARG A 23 -11.887 4.316 -7.160 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -10.890 1.155 -8.341 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -11.619 1.334 -9.872 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -12.878 4.577 -9.237 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -12.799 3.328 -10.387 1.00 0.00 H -ATOM 398 N GLU A 24 -10.507 5.814 -3.137 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.173 7.214 -3.340 1.00 0.00 C -ATOM 400 C GLU A 24 -9.545 7.851 -2.097 1.00 0.00 C -ATOM 401 O GLU A 24 -8.597 8.622 -2.228 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.360 8.016 -3.876 1.00 0.00 C -ATOM 403 CG GLU A 24 -11.748 7.610 -5.295 1.00 0.00 C -ATOM 404 CD GLU A 24 -12.939 8.358 -5.837 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -12.761 9.513 -6.301 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -14.072 7.825 -5.820 1.00 0.00 O -ATOM 407 H GLU A 24 -11.451 5.543 -3.189 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.399 7.209 -4.095 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.209 7.862 -3.225 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.102 9.065 -3.880 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -10.906 7.789 -5.947 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -11.973 6.553 -5.294 1.00 0.00 H -ATOM 413 N GLN A 25 -10.040 7.520 -0.896 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.387 8.002 0.338 1.00 0.00 C -ATOM 415 C GLN A 25 -7.986 7.434 0.451 1.00 0.00 C -ATOM 416 O GLN A 25 -7.046 8.145 0.814 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.162 7.692 1.630 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.282 8.664 2.003 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.477 8.612 1.096 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -13.396 7.844 1.330 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -12.508 9.457 0.105 1.00 0.00 N -ATOM 422 H GLN A 25 -10.854 6.966 -0.845 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.291 9.072 0.229 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.606 6.712 1.532 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.456 7.663 2.447 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.616 8.440 3.004 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -10.878 9.666 1.989 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -11.764 10.084 0.012 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -13.272 9.440 -0.506 1.00 0.00 H -ATOM 430 N LEU A 26 -7.845 6.162 0.114 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.550 5.501 0.132 1.00 0.00 C -ATOM 432 C LEU A 26 -5.603 6.160 -0.862 1.00 0.00 C -ATOM 433 O LEU A 26 -4.441 6.390 -0.560 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.693 4.009 -0.160 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.466 3.186 0.883 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.572 1.750 0.446 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.796 3.270 2.249 1.00 0.00 C -ATOM 438 H LEU A 26 -8.645 5.652 -0.141 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.137 5.630 1.122 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.197 3.914 -1.110 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.703 3.592 -0.260 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.474 3.563 0.973 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.096 1.692 -0.496 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.110 1.184 1.191 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -6.582 1.335 0.328 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -7.337 2.655 2.953 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -6.807 4.294 2.594 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -5.776 2.924 2.174 1.00 0.00 H -ATOM 449 N LYS A 27 -6.127 6.483 -2.037 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.381 7.199 -3.064 1.00 0.00 C -ATOM 451 C LYS A 27 -4.900 8.556 -2.536 1.00 0.00 C -ATOM 452 O LYS A 27 -3.764 8.970 -2.791 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.250 7.423 -4.292 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.527 8.143 -5.418 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.472 8.554 -6.524 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.416 9.661 -6.065 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.356 10.054 -7.127 1.00 0.00 N -ATOM 458 H LYS A 27 -7.045 6.180 -2.225 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.525 6.606 -3.343 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.591 6.466 -4.656 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.104 8.011 -3.993 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.082 9.031 -4.995 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -4.757 7.500 -5.815 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -5.895 8.905 -7.366 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.054 7.693 -6.819 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -7.978 9.333 -5.204 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.813 10.517 -5.794 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -8.910 9.247 -7.473 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -7.845 10.473 -7.930 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -9.018 10.776 -6.777 1.00 0.00 H -ATOM 471 N LYS A 28 -5.775 9.243 -1.813 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.429 10.519 -1.193 1.00 0.00 C -ATOM 473 C LYS A 28 -4.270 10.350 -0.232 1.00 0.00 C -ATOM 474 O LYS A 28 -3.395 11.213 -0.137 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.633 11.152 -0.500 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.723 11.550 -1.467 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.914 12.162 -0.765 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.947 12.589 -1.782 1.00 0.00 C -ATOM 479 NZ LYS A 28 -11.126 13.241 -1.174 1.00 0.00 N -ATOM 480 H LYS A 28 -6.680 8.875 -1.714 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.110 11.167 -1.997 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -7.046 10.447 0.208 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.309 12.036 0.029 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.323 12.273 -2.162 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -8.045 10.673 -2.009 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.348 11.432 -0.097 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.586 13.025 -0.206 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -9.475 13.270 -2.475 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.256 11.699 -2.309 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -10.858 14.062 -0.594 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -11.683 12.591 -0.585 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -11.756 13.587 -1.926 1.00 0.00 H -ATOM 493 N LYS A 29 -4.254 9.232 0.458 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.137 8.905 1.321 1.00 0.00 C -ATOM 495 C LYS A 29 -1.881 8.600 0.542 1.00 0.00 C -ATOM 496 O LYS A 29 -0.800 8.981 0.950 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.439 7.793 2.311 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.046 8.267 3.618 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.393 8.911 3.446 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.863 9.478 4.754 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.984 10.586 5.219 1.00 0.00 N -ATOM 502 H LYS A 29 -5.031 8.637 0.379 1.00 0.00 H -ATOM 503 HA LYS A 29 -2.936 9.801 1.884 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.111 7.081 1.858 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.505 7.304 2.542 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.161 7.419 4.276 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.372 8.977 4.074 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -5.316 9.706 2.720 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.101 8.171 3.103 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.883 9.818 4.657 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.804 8.665 5.465 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -4.830 11.293 4.468 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -4.057 10.244 5.538 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -5.430 11.072 6.024 1.00 0.00 H -ATOM 515 N LEU A 30 -2.028 7.935 -0.578 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.898 7.605 -1.434 1.00 0.00 C -ATOM 517 C LEU A 30 -0.232 8.872 -1.953 1.00 0.00 C -ATOM 518 O LEU A 30 0.989 9.034 -1.856 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.357 6.749 -2.624 1.00 0.00 C -ATOM 520 CG LEU A 30 -2.041 5.427 -2.282 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.475 4.700 -3.540 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.124 4.556 -1.449 1.00 0.00 C -ATOM 523 H LEU A 30 -2.926 7.629 -0.830 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.186 7.039 -0.853 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.047 7.337 -3.211 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.493 6.532 -3.233 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.927 5.634 -1.700 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -3.155 5.321 -4.103 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -2.971 3.778 -3.272 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -1.607 4.483 -4.144 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -1.612 3.617 -1.237 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -0.922 5.072 -0.521 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.198 4.381 -1.975 1.00 0.00 H -ATOM 534 N VAL A 31 -1.045 9.790 -2.446 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.538 11.012 -3.023 1.00 0.00 C -ATOM 536 C VAL A 31 0.161 11.889 -1.958 1.00 0.00 C -ATOM 537 O VAL A 31 1.228 12.450 -2.227 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.644 11.792 -3.833 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -2.731 12.372 -2.955 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -1.051 12.855 -4.739 1.00 0.00 C -ATOM 541 H VAL A 31 -2.014 9.614 -2.422 1.00 0.00 H -ATOM 542 HA VAL A 31 0.236 10.703 -3.713 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.128 11.058 -4.463 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -3.188 11.577 -2.387 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -3.476 12.854 -3.571 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -2.300 13.095 -2.279 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -1.863 13.329 -5.272 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -0.377 12.393 -5.446 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -0.528 13.589 -4.146 1.00 0.00 H -ATOM 550 N GLU A 32 -0.420 11.978 -0.750 1.00 0.00 N -ATOM 551 CA GLU A 32 0.196 12.744 0.339 1.00 0.00 C -ATOM 552 C GLU A 32 1.476 12.063 0.862 1.00 0.00 C -ATOM 553 O GLU A 32 2.506 12.710 1.032 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.797 13.036 1.505 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.320 11.799 2.216 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.277 12.080 3.359 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -1.823 12.353 4.471 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -3.515 11.996 3.173 1.00 0.00 O -ATOM 559 H GLU A 32 -1.278 11.524 -0.597 1.00 0.00 H -ATOM 560 HA GLU A 32 0.495 13.684 -0.103 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.304 13.659 2.236 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.640 13.579 1.105 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -1.826 11.216 1.464 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.475 11.236 2.587 1.00 0.00 H -ATOM 565 N VAL A 33 1.414 10.744 1.046 1.00 0.00 N -ATOM 566 CA VAL A 33 2.489 9.975 1.665 1.00 0.00 C -ATOM 567 C VAL A 33 3.786 10.027 0.858 1.00 0.00 C -ATOM 568 O VAL A 33 4.850 9.965 1.420 1.00 0.00 O -ATOM 569 CB VAL A 33 2.090 8.505 2.018 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.104 7.571 0.811 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.939 7.972 3.155 1.00 0.00 C -ATOM 572 H VAL A 33 0.606 10.254 0.771 1.00 0.00 H -ATOM 573 HA VAL A 33 2.699 10.495 2.589 1.00 0.00 H -ATOM 574 HB VAL A 33 1.067 8.541 2.362 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.790 6.582 1.108 1.00 0.00 H -ATOM 576 HG12 VAL A 33 3.107 7.524 0.412 1.00 0.00 H -ATOM 577 HG13 VAL A 33 1.436 7.956 0.056 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.780 8.570 4.040 1.00 0.00 H -ATOM 579 HG22 VAL A 33 3.976 8.035 2.862 1.00 0.00 H -ATOM 580 HG23 VAL A 33 2.680 6.943 3.354 1.00 0.00 H -ATOM 581 N LEU A 34 3.670 10.174 -0.460 1.00 0.00 N -ATOM 582 CA LEU A 34 4.823 10.203 -1.376 1.00 0.00 C -ATOM 583 C LEU A 34 5.903 11.238 -0.981 1.00 0.00 C -ATOM 584 O LEU A 34 7.062 11.071 -1.360 1.00 0.00 O -ATOM 585 CB LEU A 34 4.361 10.488 -2.815 1.00 0.00 C -ATOM 586 CG LEU A 34 3.494 9.421 -3.486 1.00 0.00 C -ATOM 587 CD1 LEU A 34 3.026 9.898 -4.846 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.259 8.117 -3.629 1.00 0.00 C -ATOM 589 H LEU A 34 2.763 10.218 -0.834 1.00 0.00 H -ATOM 590 HA LEU A 34 5.273 9.224 -1.359 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.801 11.411 -2.806 1.00 0.00 H -ATOM 592 HB3 LEU A 34 5.240 10.637 -3.426 1.00 0.00 H -ATOM 593 HG LEU A 34 2.620 9.238 -2.878 1.00 0.00 H -ATOM 594 HD11 LEU A 34 3.887 10.098 -5.468 1.00 0.00 H -ATOM 595 HD12 LEU A 34 2.447 10.803 -4.734 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.420 9.133 -5.308 1.00 0.00 H -ATOM 597 HD21 LEU A 34 3.639 7.389 -4.130 1.00 0.00 H -ATOM 598 HD22 LEU A 34 4.532 7.743 -2.653 1.00 0.00 H -ATOM 599 HD23 LEU A 34 5.148 8.292 -4.217 1.00 0.00 H -ATOM 600 N GLU A 35 5.524 12.303 -0.254 1.00 0.00 N -ATOM 601 CA GLU A 35 6.500 13.314 0.174 1.00 0.00 C -ATOM 602 C GLU A 35 7.469 12.734 1.227 1.00 0.00 C -ATOM 603 O GLU A 35 8.610 13.178 1.342 1.00 0.00 O -ATOM 604 CB GLU A 35 5.806 14.592 0.707 1.00 0.00 C -ATOM 605 CG GLU A 35 4.986 14.399 1.978 1.00 0.00 C -ATOM 606 CD GLU A 35 4.232 15.645 2.391 1.00 0.00 C -ATOM 607 OE1 GLU A 35 4.834 16.566 2.972 1.00 0.00 O -ATOM 608 OE2 GLU A 35 3.009 15.720 2.149 1.00 0.00 O -ATOM 609 H GLU A 35 4.584 12.409 0.013 1.00 0.00 H -ATOM 610 HA GLU A 35 7.084 13.567 -0.698 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.566 15.331 0.917 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.155 14.980 -0.062 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.270 13.609 1.811 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.650 14.114 2.781 1.00 0.00 H -ATOM 615 N SER A 36 7.006 11.732 1.967 1.00 0.00 N -ATOM 616 CA SER A 36 7.796 11.066 2.980 1.00 0.00 C -ATOM 617 C SER A 36 7.153 9.724 3.328 1.00 0.00 C -ATOM 618 O SER A 36 6.399 9.625 4.272 1.00 0.00 O -ATOM 619 CB SER A 36 7.965 11.948 4.243 1.00 0.00 C -ATOM 620 OG SER A 36 8.823 11.337 5.217 1.00 0.00 O -ATOM 621 H SER A 36 6.099 11.388 1.815 1.00 0.00 H -ATOM 622 HA SER A 36 8.765 10.843 2.570 1.00 0.00 H -ATOM 623 HB2 SER A 36 8.392 12.899 3.956 1.00 0.00 H -ATOM 624 HB3 SER A 36 6.994 12.114 4.689 1.00 0.00 H -ATOM 625 HG SER A 36 9.516 11.982 5.401 1.00 0.00 H -ATOM 626 N PRO A 37 7.368 8.680 2.508 1.00 0.00 N -ATOM 627 CA PRO A 37 6.805 7.354 2.771 1.00 0.00 C -ATOM 628 C PRO A 37 7.644 6.543 3.761 1.00 0.00 C -ATOM 629 O PRO A 37 7.352 5.393 4.038 1.00 0.00 O -ATOM 630 CB PRO A 37 6.803 6.704 1.392 1.00 0.00 C -ATOM 631 CG PRO A 37 7.974 7.309 0.702 1.00 0.00 C -ATOM 632 CD PRO A 37 8.078 8.726 1.211 1.00 0.00 C -ATOM 633 HA PRO A 37 5.796 7.417 3.148 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.902 5.634 1.497 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.881 6.938 0.880 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.870 6.756 0.947 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.815 7.305 -0.366 1.00 0.00 H -ATOM 638 HD2 PRO A 37 9.108 9.024 1.337 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.559 9.390 0.532 1.00 0.00 H -ATOM 640 N ARG A 38 8.659 7.165 4.319 1.00 0.00 N -ATOM 641 CA ARG A 38 9.546 6.514 5.273 1.00 0.00 C -ATOM 642 C ARG A 38 9.046 6.684 6.720 1.00 0.00 C -ATOM 643 O ARG A 38 9.830 6.713 7.669 1.00 0.00 O -ATOM 644 CB ARG A 38 11.011 7.004 5.066 1.00 0.00 C -ATOM 645 CG ARG A 38 11.238 8.533 4.987 1.00 0.00 C -ATOM 646 CD ARG A 38 11.048 9.263 6.317 1.00 0.00 C -ATOM 647 NE ARG A 38 11.967 8.789 7.371 1.00 0.00 N -ATOM 648 CZ ARG A 38 12.036 9.293 8.618 1.00 0.00 C -ATOM 649 NH1 ARG A 38 11.317 10.362 8.950 1.00 0.00 N -ATOM 650 NH2 ARG A 38 12.840 8.737 9.518 1.00 0.00 N -ATOM 651 H ARG A 38 8.803 8.103 4.073 1.00 0.00 H -ATOM 652 HA ARG A 38 9.505 5.458 5.049 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.608 6.633 5.885 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.384 6.560 4.155 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.238 8.718 4.631 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.542 8.935 4.265 1.00 0.00 H -ATOM 657 HD2 ARG A 38 11.220 10.316 6.158 1.00 0.00 H -ATOM 658 HD3 ARG A 38 10.031 9.108 6.646 1.00 0.00 H -ATOM 659 HE ARG A 38 12.532 8.024 7.119 1.00 0.00 H -ATOM 660 HH11 ARG A 38 10.712 10.827 8.298 1.00 0.00 H -ATOM 661 HH12 ARG A 38 11.340 10.745 9.878 1.00 0.00 H -ATOM 662 HH21 ARG A 38 13.419 7.939 9.324 1.00 0.00 H -ATOM 663 HH22 ARG A 38 12.902 9.093 10.456 1.00 0.00 H -ATOM 664 N ILE A 39 7.734 6.658 6.875 1.00 0.00 N -ATOM 665 CA ILE A 39 7.100 6.913 8.153 1.00 0.00 C -ATOM 666 C ILE A 39 7.110 5.658 9.015 1.00 0.00 C -ATOM 667 O ILE A 39 6.336 4.718 8.803 1.00 0.00 O -ATOM 668 CB ILE A 39 5.651 7.454 7.971 1.00 0.00 C -ATOM 669 CG1 ILE A 39 5.712 8.739 7.141 1.00 0.00 C -ATOM 670 CG2 ILE A 39 4.994 7.723 9.332 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.376 9.313 6.726 1.00 0.00 C -ATOM 672 H ILE A 39 7.187 6.429 6.093 1.00 0.00 H -ATOM 673 HA ILE A 39 7.692 7.670 8.642 1.00 0.00 H -ATOM 674 HB ILE A 39 5.067 6.720 7.436 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.206 9.498 7.726 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.287 8.549 6.246 1.00 0.00 H -ATOM 677 HG21 ILE A 39 4.954 6.806 9.900 1.00 0.00 H -ATOM 678 HG22 ILE A 39 3.992 8.096 9.179 1.00 0.00 H -ATOM 679 HG23 ILE A 39 5.573 8.458 9.870 1.00 0.00 H -ATOM 680 HD11 ILE A 39 4.580 10.167 6.094 1.00 0.00 H -ATOM 681 HD12 ILE A 39 3.814 9.617 7.596 1.00 0.00 H -ATOM 682 HD13 ILE A 39 3.825 8.577 6.161 1.00 0.00 H -ATOM 683 N GLU A 40 7.991 5.682 9.999 1.00 0.00 N -ATOM 684 CA GLU A 40 8.275 4.559 10.894 1.00 0.00 C -ATOM 685 C GLU A 40 7.031 4.008 11.615 1.00 0.00 C -ATOM 686 O GLU A 40 6.941 2.804 11.866 1.00 0.00 O -ATOM 687 CB GLU A 40 9.337 4.975 11.910 1.00 0.00 C -ATOM 688 CG GLU A 40 8.955 6.202 12.727 1.00 0.00 C -ATOM 689 CD GLU A 40 9.974 6.542 13.765 1.00 0.00 C -ATOM 690 OE1 GLU A 40 10.098 5.790 14.748 1.00 0.00 O -ATOM 691 OE2 GLU A 40 10.693 7.566 13.611 1.00 0.00 O -ATOM 692 H GLU A 40 8.495 6.516 10.119 1.00 0.00 H -ATOM 693 HA GLU A 40 8.693 3.767 10.291 1.00 0.00 H -ATOM 694 HB2 GLU A 40 9.509 4.154 12.590 1.00 0.00 H -ATOM 695 HB3 GLU A 40 10.254 5.194 11.383 1.00 0.00 H -ATOM 696 HG2 GLU A 40 8.850 7.043 12.060 1.00 0.00 H -ATOM 697 HG3 GLU A 40 8.009 6.011 13.212 1.00 0.00 H -ATOM 698 N ALA A 41 6.072 4.876 11.908 1.00 0.00 N -ATOM 699 CA ALA A 41 4.855 4.478 12.611 1.00 0.00 C -ATOM 700 C ALA A 41 4.005 3.549 11.747 1.00 0.00 C -ATOM 701 O ALA A 41 3.357 2.626 12.243 1.00 0.00 O -ATOM 702 CB ALA A 41 4.057 5.708 13.019 1.00 0.00 C -ATOM 703 H ALA A 41 6.202 5.810 11.647 1.00 0.00 H -ATOM 704 HA ALA A 41 5.151 3.947 13.504 1.00 0.00 H -ATOM 705 HB1 ALA A 41 4.675 6.350 13.629 1.00 0.00 H -ATOM 706 HB2 ALA A 41 3.187 5.403 13.583 1.00 0.00 H -ATOM 707 HB3 ALA A 41 3.744 6.243 12.134 1.00 0.00 H -ATOM 708 N ASN A 42 4.067 3.755 10.452 1.00 0.00 N -ATOM 709 CA ASN A 42 3.277 2.971 9.523 1.00 0.00 C -ATOM 710 C ASN A 42 4.066 1.796 8.999 1.00 0.00 C -ATOM 711 O ASN A 42 3.546 0.987 8.240 1.00 0.00 O -ATOM 712 CB ASN A 42 2.782 3.825 8.343 1.00 0.00 C -ATOM 713 CG ASN A 42 1.747 4.869 8.730 1.00 0.00 C -ATOM 714 OD1 ASN A 42 0.987 4.698 9.686 1.00 0.00 O -ATOM 715 ND2 ASN A 42 1.695 5.945 7.983 1.00 0.00 N -ATOM 716 H ASN A 42 4.679 4.432 10.095 1.00 0.00 H -ATOM 717 HA ASN A 42 2.417 2.598 10.058 1.00 0.00 H -ATOM 718 HB2 ASN A 42 3.625 4.337 7.905 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.348 3.171 7.601 1.00 0.00 H -ATOM 720 HD21 ASN A 42 2.312 6.023 7.228 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.020 6.627 8.197 1.00 0.00 H -ATOM 722 N LYS A 43 5.313 1.692 9.403 1.00 0.00 N -ATOM 723 CA LYS A 43 6.167 0.682 8.944 1.00 0.00 C -ATOM 724 C LYS A 43 5.865 -0.616 9.652 1.00 0.00 C -ATOM 725 O LYS A 43 5.605 -0.636 10.862 1.00 0.00 O -ATOM 726 CB LYS A 43 7.589 1.125 9.170 1.00 0.00 C -ATOM 727 CG LYS A 43 8.579 0.278 8.483 1.00 0.00 C -ATOM 728 CD LYS A 43 9.912 0.986 8.373 1.00 0.00 C -ATOM 729 CE LYS A 43 10.837 0.263 7.421 1.00 0.00 C -ATOM 730 NZ LYS A 43 11.936 1.138 6.971 1.00 0.00 N -ATOM 731 H LYS A 43 5.729 2.300 10.046 1.00 0.00 H -ATOM 732 HA LYS A 43 6.013 0.559 7.882 1.00 0.00 H -ATOM 733 HB2 LYS A 43 7.695 2.140 8.816 1.00 0.00 H -ATOM 734 HB3 LYS A 43 7.787 1.095 10.230 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.650 -0.627 9.062 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.156 0.095 7.508 1.00 0.00 H -ATOM 737 HD2 LYS A 43 9.751 1.987 8.002 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.372 1.029 9.349 1.00 0.00 H -ATOM 739 HE2 LYS A 43 11.250 -0.595 7.929 1.00 0.00 H -ATOM 740 HE3 LYS A 43 10.262 -0.058 6.567 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 11.534 2.026 6.608 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 12.432 0.722 6.156 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.621 1.358 7.721 1.00 0.00 H -ATOM 744 N LEU A 44 5.872 -1.674 8.903 1.00 0.00 N -ATOM 745 CA LEU A 44 5.559 -2.981 9.417 1.00 0.00 C -ATOM 746 C LEU A 44 6.789 -3.626 10.023 1.00 0.00 C -ATOM 747 O LEU A 44 7.921 -3.284 9.661 1.00 0.00 O -ATOM 748 CB LEU A 44 4.977 -3.861 8.314 1.00 0.00 C -ATOM 749 CG LEU A 44 3.703 -3.339 7.654 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.200 -4.307 6.622 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.629 -3.079 8.677 1.00 0.00 C -ATOM 752 H LEU A 44 6.120 -1.563 7.958 1.00 0.00 H -ATOM 753 HA LEU A 44 4.814 -2.860 10.188 1.00 0.00 H -ATOM 754 HB2 LEU A 44 5.727 -3.969 7.546 1.00 0.00 H -ATOM 755 HB3 LEU A 44 4.766 -4.834 8.734 1.00 0.00 H -ATOM 756 HG LEU A 44 3.922 -2.408 7.153 1.00 0.00 H -ATOM 757 HD11 LEU A 44 3.022 -5.265 7.088 1.00 0.00 H -ATOM 758 HD12 LEU A 44 3.917 -4.404 5.822 1.00 0.00 H -ATOM 759 HD13 LEU A 44 2.264 -3.925 6.240 1.00 0.00 H -ATOM 760 HD21 LEU A 44 2.425 -3.985 9.228 1.00 0.00 H -ATOM 761 HD22 LEU A 44 1.742 -2.769 8.146 1.00 0.00 H -ATOM 762 HD23 LEU A 44 2.948 -2.294 9.348 1.00 0.00 H -ATOM 763 N ARG A 45 6.566 -4.541 10.931 1.00 0.00 N -ATOM 764 CA ARG A 45 7.634 -5.210 11.630 1.00 0.00 C -ATOM 765 C ARG A 45 8.083 -6.416 10.824 1.00 0.00 C -ATOM 766 O ARG A 45 7.275 -7.272 10.482 1.00 0.00 O -ATOM 767 CB ARG A 45 7.132 -5.618 13.044 1.00 0.00 C -ATOM 768 CG ARG A 45 8.188 -6.146 14.048 1.00 0.00 C -ATOM 769 CD ARG A 45 8.710 -7.536 13.706 1.00 0.00 C -ATOM 770 NE ARG A 45 7.623 -8.521 13.662 1.00 0.00 N -ATOM 771 CZ ARG A 45 7.582 -9.600 12.871 1.00 0.00 C -ATOM 772 NH1 ARG A 45 8.586 -9.865 12.036 1.00 0.00 N -ATOM 773 NH2 ARG A 45 6.535 -10.413 12.923 1.00 0.00 N -ATOM 774 H ARG A 45 5.643 -4.798 11.143 1.00 0.00 H -ATOM 775 HA ARG A 45 8.463 -4.527 11.737 1.00 0.00 H -ATOM 776 HB2 ARG A 45 6.654 -4.759 13.491 1.00 0.00 H -ATOM 777 HB3 ARG A 45 6.381 -6.384 12.919 1.00 0.00 H -ATOM 778 HG2 ARG A 45 9.026 -5.467 14.065 1.00 0.00 H -ATOM 779 HG3 ARG A 45 7.738 -6.172 15.029 1.00 0.00 H -ATOM 780 HD2 ARG A 45 9.188 -7.499 12.738 1.00 0.00 H -ATOM 781 HD3 ARG A 45 9.428 -7.836 14.455 1.00 0.00 H -ATOM 782 HE ARG A 45 6.876 -8.340 14.281 1.00 0.00 H -ATOM 783 HH11 ARG A 45 9.399 -9.279 11.981 1.00 0.00 H -ATOM 784 HH12 ARG A 45 8.560 -10.649 11.407 1.00 0.00 H -ATOM 785 HH21 ARG A 45 5.768 -10.231 13.545 1.00 0.00 H -ATOM 786 HH22 ARG A 45 6.468 -11.240 12.355 1.00 0.00 H -ATOM 787 N GLY A 46 9.356 -6.446 10.487 1.00 0.00 N -ATOM 788 CA GLY A 46 9.943 -7.595 9.827 1.00 0.00 C -ATOM 789 C GLY A 46 9.612 -7.682 8.366 1.00 0.00 C -ATOM 790 O GLY A 46 9.841 -8.718 7.731 1.00 0.00 O -ATOM 791 H GLY A 46 9.916 -5.658 10.664 1.00 0.00 H -ATOM 792 HA2 GLY A 46 11.017 -7.547 9.931 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.586 -8.488 10.317 1.00 0.00 H -ATOM 794 N MET A 47 9.097 -6.623 7.831 1.00 0.00 N -ATOM 795 CA MET A 47 8.730 -6.570 6.445 1.00 0.00 C -ATOM 796 C MET A 47 9.674 -5.625 5.747 1.00 0.00 C -ATOM 797 O MET A 47 9.917 -4.522 6.253 1.00 0.00 O -ATOM 798 CB MET A 47 7.283 -6.098 6.294 1.00 0.00 C -ATOM 799 CG MET A 47 6.244 -7.049 6.886 1.00 0.00 C -ATOM 800 SD MET A 47 6.106 -8.615 5.993 1.00 0.00 S -ATOM 801 CE MET A 47 5.442 -8.057 4.421 1.00 0.00 C -ATOM 802 H MET A 47 8.984 -5.825 8.390 1.00 0.00 H -ATOM 803 HA MET A 47 8.832 -7.563 6.034 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.192 -5.141 6.784 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.074 -5.968 5.242 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.520 -7.265 7.908 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.282 -6.559 6.878 1.00 0.00 H -ATOM 808 HE1 MET A 47 6.138 -7.383 3.944 1.00 0.00 H -ATOM 809 HE2 MET A 47 4.505 -7.548 4.592 1.00 0.00 H -ATOM 810 HE3 MET A 47 5.269 -8.910 3.781 1.00 0.00 H -ATOM 811 N PRO A 48 10.249 -6.037 4.602 1.00 0.00 N -ATOM 812 CA PRO A 48 11.223 -5.227 3.867 1.00 0.00 C -ATOM 813 C PRO A 48 10.622 -3.918 3.354 1.00 0.00 C -ATOM 814 O PRO A 48 9.923 -3.894 2.323 1.00 0.00 O -ATOM 815 CB PRO A 48 11.672 -6.130 2.711 1.00 0.00 C -ATOM 816 CG PRO A 48 10.585 -7.138 2.562 1.00 0.00 C -ATOM 817 CD PRO A 48 9.995 -7.329 3.931 1.00 0.00 C -ATOM 818 HA PRO A 48 12.065 -4.993 4.501 1.00 0.00 H -ATOM 819 HB2 PRO A 48 11.787 -5.536 1.816 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.613 -6.601 2.957 1.00 0.00 H -ATOM 821 HG2 PRO A 48 9.835 -6.763 1.881 1.00 0.00 H -ATOM 822 HG3 PRO A 48 10.994 -8.068 2.196 1.00 0.00 H -ATOM 823 HD2 PRO A 48 8.935 -7.521 3.856 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.490 -8.138 4.448 1.00 0.00 H -ATOM 825 N ASP A 49 10.819 -2.862 4.155 1.00 0.00 N -ATOM 826 CA ASP A 49 10.338 -1.506 3.876 1.00 0.00 C -ATOM 827 C ASP A 49 8.891 -1.450 3.465 1.00 0.00 C -ATOM 828 O ASP A 49 8.521 -0.770 2.505 1.00 0.00 O -ATOM 829 CB ASP A 49 11.257 -0.708 2.937 1.00 0.00 C -ATOM 830 CG ASP A 49 12.341 0.014 3.704 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.081 1.115 4.211 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.465 -0.511 3.862 1.00 0.00 O -ATOM 833 H ASP A 49 11.304 -3.024 4.992 1.00 0.00 H -ATOM 834 HA ASP A 49 10.362 -1.021 4.841 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.723 -1.384 2.235 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.671 0.022 2.399 1.00 0.00 H -ATOM 837 N CYS A 50 8.063 -2.160 4.198 1.00 0.00 N -ATOM 838 CA CYS A 50 6.670 -2.158 3.922 1.00 0.00 C -ATOM 839 C CYS A 50 5.976 -1.268 4.925 1.00 0.00 C -ATOM 840 O CYS A 50 6.338 -1.245 6.118 1.00 0.00 O -ATOM 841 CB CYS A 50 6.120 -3.579 3.967 1.00 0.00 C -ATOM 842 SG CYS A 50 6.979 -4.727 2.858 1.00 0.00 S -ATOM 843 H CYS A 50 8.395 -2.684 4.957 1.00 0.00 H -ATOM 844 HA CYS A 50 6.519 -1.750 2.936 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.211 -3.960 4.974 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.079 -3.567 3.685 1.00 0.00 H -ATOM 847 HG CYS A 50 8.149 -4.176 2.547 1.00 0.00 H -ATOM 848 N TYR A 51 5.007 -0.549 4.457 1.00 0.00 N -ATOM 849 CA TYR A 51 4.285 0.402 5.245 1.00 0.00 C -ATOM 850 C TYR A 51 2.810 0.204 4.989 1.00 0.00 C -ATOM 851 O TYR A 51 2.416 -0.255 3.906 1.00 0.00 O -ATOM 852 CB TYR A 51 4.693 1.848 4.866 1.00 0.00 C -ATOM 853 CG TYR A 51 6.166 2.194 5.078 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.141 1.782 4.178 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.573 2.925 6.175 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.475 2.087 4.371 1.00 0.00 C -ATOM 857 CE2 TYR A 51 7.906 3.233 6.375 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.850 2.812 5.470 1.00 0.00 C -ATOM 859 OH TYR A 51 10.188 3.111 5.679 1.00 0.00 O -ATOM 860 H TYR A 51 4.740 -0.661 3.515 1.00 0.00 H -ATOM 861 HA TYR A 51 4.503 0.231 6.288 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.477 2.006 3.821 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.099 2.539 5.447 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.843 1.209 3.312 1.00 0.00 H -ATOM 865 HD2 TYR A 51 5.835 3.256 6.891 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.213 1.753 3.657 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.201 3.808 7.241 1.00 0.00 H -ATOM 868 HH TYR A 51 10.549 3.386 4.827 1.00 0.00 H -ATOM 869 N LYS A 52 2.013 0.514 5.963 1.00 0.00 N -ATOM 870 CA LYS A 52 0.586 0.374 5.856 1.00 0.00 C -ATOM 871 C LYS A 52 -0.096 1.720 6.023 1.00 0.00 C -ATOM 872 O LYS A 52 0.364 2.575 6.771 1.00 0.00 O -ATOM 873 CB LYS A 52 0.043 -0.605 6.908 1.00 0.00 C -ATOM 874 CG LYS A 52 0.380 -0.195 8.333 1.00 0.00 C -ATOM 875 CD LYS A 52 -0.327 -1.040 9.366 1.00 0.00 C -ATOM 876 CE LYS A 52 0.088 -0.595 10.749 1.00 0.00 C -ATOM 877 NZ LYS A 52 -0.686 -1.240 11.823 1.00 0.00 N -ATOM 878 H LYS A 52 2.399 0.863 6.798 1.00 0.00 H -ATOM 879 HA LYS A 52 0.359 -0.015 4.876 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -1.031 -0.656 6.815 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.459 -1.585 6.728 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.446 -0.289 8.480 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.097 0.839 8.467 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -1.394 -0.916 9.254 1.00 0.00 H -ATOM 885 HD3 LYS A 52 -0.060 -2.077 9.233 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.133 -0.837 10.877 1.00 0.00 H -ATOM 887 HE3 LYS A 52 -0.032 0.475 10.797 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 -0.527 -2.268 11.854 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 -1.701 -1.063 11.682 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 -0.415 -0.833 12.740 1.00 0.00 H -ATOM 891 N ILE A 53 -1.153 1.902 5.311 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.975 3.068 5.435 1.00 0.00 C -ATOM 893 C ILE A 53 -3.279 2.679 6.077 1.00 0.00 C -ATOM 894 O ILE A 53 -3.877 1.668 5.712 1.00 0.00 O -ATOM 895 CB ILE A 53 -2.271 3.724 4.057 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.990 4.280 3.440 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -3.341 4.826 4.178 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -1.185 4.839 2.052 1.00 0.00 C -ATOM 899 H ILE A 53 -1.389 1.210 4.653 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.463 3.784 6.059 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.666 2.956 3.409 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.610 5.076 4.064 1.00 0.00 H -ATOM 903 HG13 ILE A 53 -0.258 3.488 3.385 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -4.259 4.408 4.564 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -3.536 5.261 3.209 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.004 5.606 4.845 1.00 0.00 H -ATOM 907 HD11 ILE A 53 -0.299 5.365 1.728 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -2.038 5.499 2.038 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -1.374 4.021 1.374 1.00 0.00 H -ATOM 910 N LYS A 54 -3.672 3.444 7.043 1.00 0.00 N -ATOM 911 CA LYS A 54 -4.949 3.309 7.664 1.00 0.00 C -ATOM 912 C LYS A 54 -5.878 4.403 7.147 1.00 0.00 C -ATOM 913 O LYS A 54 -5.459 5.545 6.950 1.00 0.00 O -ATOM 914 CB LYS A 54 -4.837 3.274 9.217 1.00 0.00 C -ATOM 915 CG LYS A 54 -3.719 4.139 9.820 1.00 0.00 C -ATOM 916 CD LYS A 54 -3.911 5.626 9.586 1.00 0.00 C -ATOM 917 CE LYS A 54 -2.663 6.401 9.949 1.00 0.00 C -ATOM 918 NZ LYS A 54 -2.306 6.267 11.375 1.00 0.00 N -ATOM 919 H LYS A 54 -3.075 4.153 7.355 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.336 2.364 7.317 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.775 3.606 9.637 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.673 2.250 9.520 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -3.687 3.968 10.884 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -2.780 3.832 9.382 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -4.135 5.789 8.541 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -4.736 5.974 10.190 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -1.865 5.992 9.346 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -2.817 7.440 9.700 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -2.105 5.281 11.643 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -3.072 6.606 11.989 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -1.469 6.837 11.610 1.00 0.00 H -ATOM 932 N LEU A 55 -7.101 4.044 6.869 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.073 4.991 6.349 1.00 0.00 C -ATOM 934 C LEU A 55 -8.782 5.655 7.543 1.00 0.00 C -ATOM 935 O LEU A 55 -9.496 6.639 7.398 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.055 4.236 5.406 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.799 5.047 4.308 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -10.425 4.103 3.307 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -10.888 5.940 4.878 1.00 0.00 C -ATOM 940 H LEU A 55 -7.363 3.106 6.998 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.537 5.747 5.792 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.494 3.456 4.910 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.797 3.757 6.027 1.00 0.00 H -ATOM 944 HG LEU A 55 -9.085 5.662 3.779 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -10.935 4.673 2.546 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -11.131 3.459 3.807 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -9.656 3.502 2.845 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.371 6.478 4.076 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -10.450 6.641 5.573 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -11.617 5.332 5.394 1.00 0.00 H -ATOM 951 N ARG A 56 -8.559 5.077 8.728 1.00 0.00 N -ATOM 952 CA ARG A 56 -9.080 5.550 10.022 1.00 0.00 C -ATOM 953 C ARG A 56 -10.572 5.247 10.164 1.00 0.00 C -ATOM 954 O ARG A 56 -10.981 4.490 11.032 1.00 0.00 O -ATOM 955 CB ARG A 56 -8.827 7.062 10.225 1.00 0.00 C -ATOM 956 CG ARG A 56 -9.207 7.596 11.600 1.00 0.00 C -ATOM 957 CD ARG A 56 -9.331 9.112 11.582 1.00 0.00 C -ATOM 958 NE ARG A 56 -8.140 9.787 11.046 1.00 0.00 N -ATOM 959 CZ ARG A 56 -8.167 10.965 10.387 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -9.307 11.643 10.271 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -7.053 11.464 9.867 1.00 0.00 N -ATOM 962 H ARG A 56 -8.022 4.257 8.725 1.00 0.00 H -ATOM 963 HA ARG A 56 -8.556 5.003 10.791 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -7.779 7.262 10.065 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -9.396 7.605 9.483 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -10.155 7.168 11.890 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -8.446 7.310 12.310 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -10.174 9.376 10.963 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -9.504 9.457 12.589 1.00 0.00 H -ATOM 970 HE ARG A 56 -7.293 9.305 11.187 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -10.168 11.311 10.667 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -9.374 12.515 9.777 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -6.170 10.992 9.940 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -7.039 12.339 9.373 1.00 0.00 H -ATOM 975 N SER A 57 -11.358 5.822 9.295 1.00 0.00 N -ATOM 976 CA SER A 57 -12.790 5.712 9.363 1.00 0.00 C -ATOM 977 C SER A 57 -13.301 4.335 8.889 1.00 0.00 C -ATOM 978 O SER A 57 -13.908 3.590 9.655 1.00 0.00 O -ATOM 979 CB SER A 57 -13.404 6.844 8.536 1.00 0.00 C -ATOM 980 OG SER A 57 -12.856 8.107 8.944 1.00 0.00 O -ATOM 981 H SER A 57 -10.946 6.359 8.580 1.00 0.00 H -ATOM 982 HA SER A 57 -13.084 5.855 10.391 1.00 0.00 H -ATOM 983 HB2 SER A 57 -13.182 6.682 7.492 1.00 0.00 H -ATOM 984 HB3 SER A 57 -14.473 6.863 8.684 1.00 0.00 H -ATOM 985 HG SER A 57 -12.968 8.156 9.903 1.00 0.00 H -ATOM 986 N SER A 58 -13.010 3.998 7.656 1.00 0.00 N -ATOM 987 CA SER A 58 -13.535 2.802 7.025 1.00 0.00 C -ATOM 988 C SER A 58 -12.981 1.488 7.615 1.00 0.00 C -ATOM 989 O SER A 58 -13.643 0.459 7.551 1.00 0.00 O -ATOM 990 CB SER A 58 -13.232 2.886 5.553 1.00 0.00 C -ATOM 991 OG SER A 58 -13.615 4.155 5.058 1.00 0.00 O -ATOM 992 H SER A 58 -12.454 4.579 7.098 1.00 0.00 H -ATOM 993 HA SER A 58 -14.608 2.811 7.136 1.00 0.00 H -ATOM 994 HB2 SER A 58 -12.171 2.749 5.407 1.00 0.00 H -ATOM 995 HB3 SER A 58 -13.775 2.118 5.022 1.00 0.00 H -ATOM 996 HG SER A 58 -14.429 4.042 4.551 1.00 0.00 H -ATOM 997 N GLY A 59 -11.792 1.522 8.193 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.211 0.292 8.713 1.00 0.00 C -ATOM 999 C GLY A 59 -10.416 -0.433 7.645 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.155 -1.630 7.736 1.00 0.00 O -ATOM 1001 H GLY A 59 -11.309 2.369 8.298 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.565 0.527 9.546 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -12.005 -0.355 9.054 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.028 0.296 6.637 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.267 -0.259 5.547 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.797 0.027 5.719 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.413 1.028 6.341 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.771 0.243 4.191 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.049 -0.423 3.716 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.272 -0.174 4.323 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.028 -1.287 2.634 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.433 -0.770 3.868 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.179 -1.888 2.174 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.378 -1.628 2.791 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.530 -2.221 2.321 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.235 1.251 6.642 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.400 -1.330 5.586 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -9.959 1.305 4.258 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.007 0.070 3.448 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.305 0.495 5.169 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.085 -1.495 2.149 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.375 -0.564 4.356 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.135 -2.559 1.330 1.00 0.00 H -ATOM 1024 HH TYR A 60 -14.292 -3.122 2.061 1.00 0.00 H -ATOM 1025 N ARG A 61 -6.994 -0.874 5.226 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.563 -0.785 5.290 1.00 0.00 C -ATOM 1027 C ARG A 61 -4.995 -1.061 3.915 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.530 -1.883 3.162 1.00 0.00 O -ATOM 1029 CB ARG A 61 -4.929 -1.788 6.296 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.199 -1.562 7.794 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.634 -1.870 8.199 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.811 -1.837 9.654 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -7.733 -2.551 10.319 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -8.747 -3.099 9.654 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.694 -2.621 11.650 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.375 -1.638 4.736 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.305 0.222 5.584 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.289 -2.778 6.053 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -3.860 -1.779 6.142 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.544 -2.205 8.364 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -4.977 -0.531 8.031 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -7.286 -1.134 7.751 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.899 -2.851 7.835 1.00 0.00 H -ATOM 1044 HE ARG A 61 -6.146 -1.291 10.133 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -8.873 -2.977 8.669 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -9.448 -3.699 10.069 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -6.994 -2.160 12.201 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -8.378 -3.148 12.168 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.950 -0.384 3.593 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.262 -0.565 2.340 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.798 -0.813 2.662 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.209 -0.057 3.410 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.490 0.692 1.454 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.908 0.700 0.027 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.613 1.751 -0.805 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.428 1.021 0.048 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.614 0.284 4.230 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.670 -1.438 1.852 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.555 0.850 1.376 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.076 1.537 1.984 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.047 -0.265 -0.435 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.486 2.720 -0.346 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -4.665 1.513 -0.864 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.191 1.764 -1.799 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.052 1.040 -0.963 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -0.902 0.268 0.618 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.284 1.988 0.505 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.234 -1.877 2.135 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.137 -2.249 2.441 1.00 0.00 C -ATOM 1070 C VAL A 63 1.002 -2.131 1.189 1.00 0.00 C -ATOM 1071 O VAL A 63 0.716 -2.755 0.148 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.228 -3.698 3.004 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.657 -4.041 3.409 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.715 -3.888 4.187 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.724 -2.431 1.484 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.507 -1.560 3.186 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.069 -4.378 2.218 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.312 -3.945 2.555 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 1.692 -5.053 3.782 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 1.980 -3.366 4.190 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -1.730 -3.697 3.872 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.445 -3.200 4.975 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -0.635 -4.900 4.553 1.00 0.00 H -ATOM 1084 N TYR A 64 2.039 -1.347 1.284 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.928 -1.119 0.177 1.00 0.00 C -ATOM 1086 C TYR A 64 4.362 -1.235 0.620 1.00 0.00 C -ATOM 1087 O TYR A 64 4.649 -1.149 1.805 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.683 0.258 -0.478 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.884 1.481 0.414 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.150 1.870 0.848 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.812 2.254 0.789 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.323 2.981 1.628 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.981 3.368 1.568 1.00 0.00 C -ATOM 1094 CZ TYR A 64 3.239 3.727 1.985 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.408 4.835 2.766 1.00 0.00 O -ATOM 1096 H TYR A 64 2.235 -0.911 2.146 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.737 -1.886 -0.558 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.344 0.372 -1.323 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.662 0.281 -0.831 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 5.006 1.277 0.561 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.823 1.971 0.463 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.312 3.264 1.958 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 1.117 3.956 1.837 1.00 0.00 H -ATOM 1104 HH TYR A 64 2.745 4.825 3.461 1.00 0.00 H -ATOM 1105 N GLN A 65 5.238 -1.461 -0.308 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.644 -1.467 -0.024 1.00 0.00 C -ATOM 1107 C GLN A 65 7.271 -0.270 -0.708 1.00 0.00 C -ATOM 1108 O GLN A 65 6.866 0.104 -1.826 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.314 -2.761 -0.494 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.275 -2.974 -2.001 1.00 0.00 C -ATOM 1111 CD GLN A 65 7.941 -4.254 -2.447 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.557 -4.839 -3.462 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 8.934 -4.700 -1.718 1.00 0.00 N -ATOM 1114 H GLN A 65 4.937 -1.599 -1.234 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.774 -1.355 1.041 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.349 -2.735 -0.185 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.829 -3.599 -0.015 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.243 -2.999 -2.319 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.771 -2.139 -2.475 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.208 -4.192 -0.926 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.373 -5.538 -1.977 1.00 0.00 H -ATOM 1122 N VAL A 66 8.190 0.354 -0.060 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.870 1.467 -0.649 1.00 0.00 C -ATOM 1124 C VAL A 66 10.149 0.977 -1.271 1.00 0.00 C -ATOM 1125 O VAL A 66 11.063 0.551 -0.573 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.179 2.579 0.393 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.967 3.723 -0.234 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.895 3.109 0.992 1.00 0.00 C -ATOM 1129 H VAL A 66 8.443 0.049 0.843 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.238 1.875 -1.424 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.772 2.149 1.187 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 9.391 4.165 -1.034 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 10.897 3.341 -0.629 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 10.175 4.469 0.518 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 8.131 3.867 1.724 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.364 2.299 1.469 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 7.278 3.538 0.215 1.00 0.00 H -ATOM 1138 N ILE A 67 10.208 1.011 -2.573 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.392 0.613 -3.248 1.00 0.00 C -ATOM 1140 C ILE A 67 12.147 1.875 -3.566 1.00 0.00 C -ATOM 1141 O ILE A 67 11.876 2.553 -4.573 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.096 -0.164 -4.552 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.089 -1.295 -4.281 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.396 -0.743 -5.108 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.649 -2.047 -5.524 1.00 0.00 C -ATOM 1146 H ILE A 67 9.447 1.336 -3.104 1.00 0.00 H -ATOM 1147 HA ILE A 67 11.981 0.001 -2.579 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.678 0.518 -5.278 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.535 -2.006 -3.602 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.210 -0.873 -3.818 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 12.832 -1.407 -4.375 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 13.085 0.060 -5.322 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 12.186 -1.294 -6.012 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 10.509 -2.498 -5.997 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.182 -1.358 -6.212 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 8.942 -2.816 -5.250 1.00 0.00 H -ATOM 1157 N ASP A 68 13.062 2.204 -2.710 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.812 3.438 -2.807 1.00 0.00 C -ATOM 1159 C ASP A 68 14.797 3.370 -3.961 1.00 0.00 C -ATOM 1160 O ASP A 68 15.095 4.387 -4.592 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.503 3.758 -1.474 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.158 5.119 -1.454 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 14.447 6.135 -1.364 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 16.397 5.200 -1.494 1.00 0.00 O -ATOM 1165 H ASP A 68 13.262 1.580 -1.975 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.102 4.222 -3.030 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 13.770 3.728 -0.681 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.258 3.010 -1.283 1.00 0.00 H -ATOM 1169 N GLU A 69 15.258 2.147 -4.266 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.149 1.901 -5.409 1.00 0.00 C -ATOM 1171 C GLU A 69 15.487 2.324 -6.716 1.00 0.00 C -ATOM 1172 O GLU A 69 16.112 2.922 -7.580 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.490 0.411 -5.544 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.358 -0.194 -4.457 1.00 0.00 C -ATOM 1175 CD GLU A 69 17.650 -1.651 -4.749 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 18.376 -1.935 -5.730 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 17.120 -2.538 -4.057 1.00 0.00 O -ATOM 1178 H GLU A 69 15.008 1.406 -3.670 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.063 2.456 -5.264 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.566 -0.145 -5.563 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 16.984 0.265 -6.492 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 18.291 0.348 -4.405 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 16.842 -0.130 -3.512 1.00 0.00 H -ATOM 1184 N LYS A 70 14.210 2.036 -6.837 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.501 2.302 -8.072 1.00 0.00 C -ATOM 1186 C LYS A 70 12.724 3.608 -7.994 1.00 0.00 C -ATOM 1187 O LYS A 70 12.198 4.090 -9.009 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.571 1.131 -8.416 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.291 -0.188 -8.671 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.308 -1.315 -8.971 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.015 -2.657 -9.164 1.00 0.00 C -ATOM 1192 NZ LYS A 70 13.933 -2.661 -10.330 1.00 0.00 N -ATOM 1193 H LYS A 70 13.739 1.645 -6.073 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.243 2.389 -8.850 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 11.912 0.975 -7.576 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 11.987 1.380 -9.290 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 13.946 -0.066 -9.520 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 13.871 -0.444 -7.797 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 11.610 -1.404 -8.153 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 11.767 -1.071 -9.873 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 13.586 -2.880 -8.274 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 12.266 -3.423 -9.302 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 13.402 -2.456 -11.203 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 14.383 -3.589 -10.457 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 14.681 -1.945 -10.243 1.00 0.00 H -ATOM 1206 N VAL A 71 12.702 4.193 -6.788 1.00 0.00 N -ATOM 1207 CA VAL A 71 11.998 5.456 -6.498 1.00 0.00 C -ATOM 1208 C VAL A 71 10.466 5.243 -6.680 1.00 0.00 C -ATOM 1209 O VAL A 71 9.711 6.133 -7.077 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.545 6.644 -7.395 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 11.965 7.995 -6.980 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.072 6.707 -7.340 1.00 0.00 C -ATOM 1213 H VAL A 71 13.183 3.756 -6.054 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.177 5.675 -5.454 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.254 6.454 -8.417 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 12.365 8.770 -7.617 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.232 8.200 -5.954 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 10.890 7.969 -7.071 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.481 5.778 -7.710 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.392 6.862 -6.320 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.421 7.523 -7.956 1.00 0.00 H -ATOM 1222 N VAL A 72 10.002 4.072 -6.308 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.604 3.757 -6.469 1.00 0.00 C -ATOM 1224 C VAL A 72 8.040 3.110 -5.209 1.00 0.00 C -ATOM 1225 O VAL A 72 8.701 2.310 -4.541 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.338 2.855 -7.737 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.046 1.521 -7.640 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 6.846 2.645 -7.993 1.00 0.00 C -ATOM 1229 H VAL A 72 10.593 3.415 -5.879 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.089 4.696 -6.612 1.00 0.00 H -ATOM 1231 HB VAL A 72 8.756 3.373 -8.589 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 10.105 1.702 -7.532 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 8.861 0.953 -8.540 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 8.679 0.978 -6.780 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.710 2.036 -8.875 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.360 3.599 -8.133 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.405 2.145 -7.143 1.00 0.00 H -ATOM 1238 N VAL A 73 6.862 3.517 -4.875 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.104 2.958 -3.814 1.00 0.00 C -ATOM 1240 C VAL A 73 5.181 1.934 -4.451 1.00 0.00 C -ATOM 1241 O VAL A 73 4.321 2.277 -5.283 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.295 4.064 -3.092 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.366 3.479 -2.065 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.236 5.058 -2.431 1.00 0.00 C -ATOM 1245 H VAL A 73 6.442 4.240 -5.392 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.773 2.472 -3.119 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.714 4.599 -3.828 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 3.674 2.805 -2.549 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 3.817 4.273 -1.581 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 4.940 2.935 -1.330 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 6.866 5.513 -3.181 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 6.853 4.541 -1.711 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 5.661 5.823 -1.931 1.00 0.00 H -ATOM 1254 N PHE A 74 5.378 0.700 -4.110 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.689 -0.371 -4.762 1.00 0.00 C -ATOM 1256 C PHE A 74 3.699 -1.020 -3.813 1.00 0.00 C -ATOM 1257 O PHE A 74 4.091 -1.630 -2.816 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.720 -1.388 -5.258 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.183 -2.391 -6.223 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.951 -2.022 -7.527 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 4.918 -3.693 -5.839 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.463 -2.919 -8.438 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.428 -4.603 -6.753 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.201 -4.214 -8.054 1.00 0.00 C -ATOM 1265 H PHE A 74 5.999 0.491 -3.374 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.165 0.029 -5.618 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.524 -0.862 -5.751 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.121 -1.920 -4.407 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 5.161 -1.005 -7.824 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.096 -3.995 -4.817 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.285 -2.604 -9.454 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.220 -5.620 -6.455 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.819 -4.923 -8.775 1.00 0.00 H -ATOM 1274 N VAL A 75 2.433 -0.866 -4.107 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.374 -1.432 -3.296 1.00 0.00 C -ATOM 1276 C VAL A 75 1.292 -2.925 -3.542 1.00 0.00 C -ATOM 1277 O VAL A 75 1.168 -3.359 -4.682 1.00 0.00 O -ATOM 1278 CB VAL A 75 0.007 -0.766 -3.602 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.103 -1.335 -2.718 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.102 0.746 -3.447 1.00 0.00 C -ATOM 1281 H VAL A 75 2.196 -0.358 -4.917 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.623 -1.264 -2.258 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.244 -0.985 -4.630 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -0.850 -1.172 -1.681 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -1.200 -2.395 -2.899 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -2.037 -0.841 -2.942 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.436 0.991 -2.450 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 -0.868 1.188 -3.618 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.805 1.136 -4.167 1.00 0.00 H -ATOM 1290 N ILE A 76 1.379 -3.701 -2.486 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.368 -5.145 -2.607 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.033 -5.683 -2.335 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.520 -6.581 -3.020 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.351 -5.805 -1.599 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.751 -5.181 -1.706 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.433 -7.315 -1.853 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.733 -5.710 -0.679 1.00 0.00 C -ATOM 1298 H ILE A 76 1.438 -3.292 -1.595 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.672 -5.410 -3.609 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.967 -5.649 -0.601 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.156 -5.386 -2.686 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.670 -4.112 -1.572 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 2.777 -7.490 -2.863 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 1.459 -7.762 -1.720 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 3.133 -7.755 -1.158 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 5.695 -5.240 -0.822 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.830 -6.779 -0.800 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 4.367 -5.494 0.314 1.00 0.00 H -ATOM 1309 N SER A 77 -0.683 -5.135 -1.334 1.00 0.00 N -ATOM 1310 CA SER A 77 -1.987 -5.603 -0.928 1.00 0.00 C -ATOM 1311 C SER A 77 -2.815 -4.446 -0.380 1.00 0.00 C -ATOM 1312 O SER A 77 -2.265 -3.467 0.125 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.821 -6.697 0.131 1.00 0.00 C -ATOM 1314 OG SER A 77 -1.057 -7.776 -0.384 1.00 0.00 O -ATOM 1315 H SER A 77 -0.298 -4.379 -0.839 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.483 -6.025 -1.790 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.295 -6.287 0.982 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.789 -7.063 0.438 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.868 -7.591 -1.312 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.115 -4.542 -0.509 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.008 -3.515 -0.039 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.340 -4.152 0.382 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.723 -5.198 -0.152 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.214 -2.413 -1.136 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.805 -2.980 -2.411 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.048 -1.257 -0.625 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.529 -5.333 -0.916 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.554 -3.065 0.832 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.233 -2.035 -1.386 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -5.932 -2.187 -3.133 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -6.762 -3.431 -2.195 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -5.136 -3.727 -2.813 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -7.021 -1.621 -0.328 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -6.157 -0.516 -1.403 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -5.555 -0.814 0.227 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.983 -3.584 1.373 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.260 -4.072 1.806 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.431 -3.889 3.276 1.00 0.00 C -ATOM 1339 O GLY A 79 -8.306 -2.786 3.784 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.582 -2.827 1.859 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -9.033 -3.518 1.296 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.352 -5.119 1.568 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.707 -4.944 3.964 1.00 0.00 N -ATOM 1344 CA LYS A 80 -8.861 -4.897 5.387 1.00 0.00 C -ATOM 1345 C LYS A 80 -7.894 -5.862 6.031 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.284 -6.676 5.348 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.314 -5.156 5.804 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.273 -4.055 5.350 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.721 -4.333 5.729 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.276 -5.549 5.004 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -14.691 -5.785 5.340 1.00 0.00 N -ATOM 1352 H LYS A 80 -8.805 -5.815 3.520 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.579 -3.900 5.692 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.639 -6.098 5.390 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.349 -5.207 6.883 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -10.974 -3.126 5.810 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.201 -3.957 4.276 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -12.776 -4.510 6.793 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.318 -3.468 5.479 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -13.188 -5.396 3.939 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -12.698 -6.414 5.293 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -14.800 -5.912 6.366 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -15.042 -6.656 4.893 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -15.297 -4.994 5.047 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.736 -5.759 7.320 1.00 0.00 N -ATOM 1366 CA ALA A 81 -6.766 -6.560 8.029 1.00 0.00 C -ATOM 1367 C ALA A 81 -7.459 -7.320 9.136 1.00 0.00 C -ATOM 1368 O ALA A 81 -6.854 -7.673 10.153 1.00 0.00 O -ATOM 1369 CB ALA A 81 -5.679 -5.656 8.586 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.310 -5.159 7.844 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.321 -7.257 7.335 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -5.207 -5.119 7.776 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -4.940 -6.262 9.089 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -6.111 -4.954 9.283 1.00 0.00 H -ATOM 1375 N GLU A 82 -8.701 -7.654 8.872 1.00 0.00 N -ATOM 1376 CA GLU A 82 -9.577 -8.296 9.835 1.00 0.00 C -ATOM 1377 C GLU A 82 -9.058 -9.679 10.195 1.00 0.00 C -ATOM 1378 O GLU A 82 -9.056 -10.076 11.361 1.00 0.00 O -ATOM 1379 CB GLU A 82 -10.995 -8.413 9.271 1.00 0.00 C -ATOM 1380 CG GLU A 82 -11.566 -7.107 8.740 1.00 0.00 C -ATOM 1381 CD GLU A 82 -11.466 -5.973 9.730 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -12.313 -5.878 10.639 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -10.529 -5.160 9.617 1.00 0.00 O -ATOM 1384 H GLU A 82 -9.025 -7.489 7.963 1.00 0.00 H -ATOM 1385 HA GLU A 82 -9.608 -7.687 10.725 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -10.986 -9.131 8.465 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -11.642 -8.776 10.054 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -11.028 -6.838 7.844 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -12.607 -7.263 8.495 1.00 0.00 H -ATOM 1390 N ALA A 83 -8.580 -10.386 9.205 1.00 0.00 N -ATOM 1391 CA ALA A 83 -8.051 -11.718 9.394 1.00 0.00 C -ATOM 1392 C ALA A 83 -6.576 -11.711 9.050 1.00 0.00 C -ATOM 1393 O ALA A 83 -5.964 -12.759 8.861 1.00 0.00 O -ATOM 1394 CB ALA A 83 -8.801 -12.710 8.514 1.00 0.00 C -ATOM 1395 H ALA A 83 -8.552 -9.996 8.297 1.00 0.00 H -ATOM 1396 HA ALA A 83 -8.180 -11.996 10.429 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -8.679 -12.436 7.477 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -9.850 -12.698 8.770 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -8.405 -13.702 8.672 1.00 0.00 H -ATOM 1400 N SER A 84 -6.020 -10.496 8.981 1.00 0.00 N -ATOM 1401 CA SER A 84 -4.622 -10.243 8.633 1.00 0.00 C -ATOM 1402 C SER A 84 -4.342 -10.643 7.172 1.00 0.00 C -ATOM 1403 O SER A 84 -3.188 -10.803 6.776 1.00 0.00 O -ATOM 1404 CB SER A 84 -3.678 -10.984 9.601 1.00 0.00 C -ATOM 1405 OG SER A 84 -3.957 -10.624 10.949 1.00 0.00 O -ATOM 1406 H SER A 84 -6.607 -9.734 9.168 1.00 0.00 H -ATOM 1407 HA SER A 84 -4.461 -9.180 8.726 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -3.818 -12.049 9.488 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -2.653 -10.731 9.374 1.00 0.00 H -ATOM 1410 HG SER A 84 -4.916 -10.602 11.058 1.00 0.00 H -ATOM 1411 N GLU A 85 -5.404 -10.683 6.363 1.00 0.00 N -ATOM 1412 CA GLU A 85 -5.357 -11.138 4.994 1.00 0.00 C -ATOM 1413 C GLU A 85 -4.385 -10.325 4.135 1.00 0.00 C -ATOM 1414 O GLU A 85 -3.610 -10.893 3.360 1.00 0.00 O -ATOM 1415 CB GLU A 85 -6.772 -11.202 4.355 1.00 0.00 C -ATOM 1416 CG GLU A 85 -7.621 -9.919 4.429 1.00 0.00 C -ATOM 1417 CD GLU A 85 -8.351 -9.718 5.754 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -7.701 -9.472 6.781 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -9.598 -9.783 5.771 1.00 0.00 O -ATOM 1420 H GLU A 85 -6.282 -10.362 6.685 1.00 0.00 H -ATOM 1421 HA GLU A 85 -4.969 -12.144 5.033 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -6.645 -11.442 3.314 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -7.324 -12.002 4.826 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -6.966 -9.074 4.276 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -8.349 -9.949 3.632 1.00 0.00 H -ATOM 1426 N VAL A 86 -4.378 -9.009 4.318 1.00 0.00 N -ATOM 1427 CA VAL A 86 -3.464 -8.143 3.566 1.00 0.00 C -ATOM 1428 C VAL A 86 -2.004 -8.381 3.946 1.00 0.00 C -ATOM 1429 O VAL A 86 -1.102 -8.134 3.160 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.803 -6.631 3.689 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -5.135 -6.332 3.034 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -3.810 -6.176 5.148 1.00 0.00 C -ATOM 1433 H VAL A 86 -5.020 -8.621 4.949 1.00 0.00 H -ATOM 1434 HA VAL A 86 -3.570 -8.431 2.529 1.00 0.00 H -ATOM 1435 HB VAL A 86 -3.044 -6.075 3.159 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -5.910 -6.905 3.519 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -5.092 -6.595 1.987 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -5.355 -5.279 3.130 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -2.834 -6.342 5.580 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -4.549 -6.740 5.696 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -4.051 -5.125 5.196 1.00 0.00 H -ATOM 1442 N TYR A 87 -1.779 -8.887 5.140 1.00 0.00 N -ATOM 1443 CA TYR A 87 -0.433 -9.162 5.576 1.00 0.00 C -ATOM 1444 C TYR A 87 -0.016 -10.496 5.033 1.00 0.00 C -ATOM 1445 O TYR A 87 1.091 -10.646 4.536 1.00 0.00 O -ATOM 1446 CB TYR A 87 -0.310 -9.139 7.102 1.00 0.00 C -ATOM 1447 CG TYR A 87 -0.693 -7.816 7.722 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 0.022 -6.663 7.434 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 -1.764 -7.720 8.596 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 -0.321 -5.453 7.997 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 -2.112 -6.515 9.164 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -1.390 -5.386 8.860 1.00 0.00 C -ATOM 1453 OH TYR A 87 -1.736 -4.183 9.425 1.00 0.00 O -ATOM 1454 H TYR A 87 -2.536 -9.117 5.720 1.00 0.00 H -ATOM 1455 HA TYR A 87 0.208 -8.402 5.154 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 -0.953 -9.902 7.516 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 0.711 -9.355 7.376 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 0.859 -6.723 6.755 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 -2.329 -8.608 8.835 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 0.249 -4.567 7.760 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 -2.949 -6.460 9.843 1.00 0.00 H -ATOM 1462 HH TYR A 87 -1.781 -3.508 8.740 1.00 0.00 H -ATOM 1463 N SER A 88 -0.943 -11.447 5.084 1.00 0.00 N -ATOM 1464 CA SER A 88 -0.727 -12.789 4.590 1.00 0.00 C -ATOM 1465 C SER A 88 -0.365 -12.770 3.103 1.00 0.00 C -ATOM 1466 O SER A 88 0.556 -13.470 2.663 1.00 0.00 O -ATOM 1467 CB SER A 88 -2.000 -13.600 4.789 1.00 0.00 C -ATOM 1468 OG SER A 88 -2.424 -13.556 6.146 1.00 0.00 O -ATOM 1469 H SER A 88 -1.819 -11.246 5.481 1.00 0.00 H -ATOM 1470 HA SER A 88 0.067 -13.246 5.158 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -2.781 -13.188 4.167 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -1.819 -14.626 4.508 1.00 0.00 H -ATOM 1473 HG SER A 88 -1.648 -13.451 6.712 1.00 0.00 H -ATOM 1474 N GLU A 89 -1.084 -11.962 2.346 1.00 0.00 N -ATOM 1475 CA GLU A 89 -0.871 -11.856 0.923 1.00 0.00 C -ATOM 1476 C GLU A 89 0.528 -11.289 0.646 1.00 0.00 C -ATOM 1477 O GLU A 89 1.319 -11.873 -0.112 1.00 0.00 O -ATOM 1478 CB GLU A 89 -1.946 -10.952 0.314 1.00 0.00 C -ATOM 1479 CG GLU A 89 -1.997 -10.989 -1.197 1.00 0.00 C -ATOM 1480 CD GLU A 89 -2.365 -12.353 -1.703 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -3.574 -12.648 -1.822 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -1.473 -13.156 -1.978 1.00 0.00 O -ATOM 1483 H GLU A 89 -1.799 -11.426 2.756 1.00 0.00 H -ATOM 1484 HA GLU A 89 -0.950 -12.841 0.489 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -2.910 -11.259 0.690 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -1.759 -9.935 0.624 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -2.729 -10.275 -1.544 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -1.024 -10.728 -1.586 1.00 0.00 H -ATOM 1489 N ALA A 90 0.838 -10.189 1.313 1.00 0.00 N -ATOM 1490 CA ALA A 90 2.101 -9.499 1.145 1.00 0.00 C -ATOM 1491 C ALA A 90 3.293 -10.366 1.549 1.00 0.00 C -ATOM 1492 O ALA A 90 4.230 -10.553 0.762 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.099 -8.193 1.928 1.00 0.00 C -ATOM 1494 H ALA A 90 0.177 -9.815 1.933 1.00 0.00 H -ATOM 1495 HA ALA A 90 2.196 -9.255 0.097 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 2.037 -8.410 2.984 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 1.247 -7.596 1.635 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 3.008 -7.649 1.725 1.00 0.00 H -ATOM 1499 N VAL A 91 3.237 -10.941 2.747 1.00 0.00 N -ATOM 1500 CA VAL A 91 4.359 -11.711 3.266 1.00 0.00 C -ATOM 1501 C VAL A 91 4.599 -12.991 2.456 1.00 0.00 C -ATOM 1502 O VAL A 91 5.731 -13.407 2.285 1.00 0.00 O -ATOM 1503 CB VAL A 91 4.243 -12.020 4.807 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 3.088 -12.959 5.132 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 5.560 -12.554 5.368 1.00 0.00 C -ATOM 1506 H VAL A 91 2.424 -10.839 3.293 1.00 0.00 H -ATOM 1507 HA VAL A 91 5.230 -11.090 3.113 1.00 0.00 H -ATOM 1508 HB VAL A 91 4.028 -11.083 5.299 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 3.062 -13.147 6.195 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 3.216 -13.891 4.603 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 2.159 -12.498 4.825 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 6.339 -11.820 5.223 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 5.826 -13.467 4.855 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 5.446 -12.756 6.424 1.00 0.00 H -ATOM 1515 N LYS A 92 3.546 -13.586 1.918 1.00 0.00 N -ATOM 1516 CA LYS A 92 3.710 -14.806 1.135 1.00 0.00 C -ATOM 1517 C LYS A 92 4.231 -14.550 -0.261 1.00 0.00 C -ATOM 1518 O LYS A 92 4.677 -15.470 -0.935 1.00 0.00 O -ATOM 1519 CB LYS A 92 2.463 -15.686 1.116 1.00 0.00 C -ATOM 1520 CG LYS A 92 2.090 -16.345 2.460 1.00 0.00 C -ATOM 1521 CD LYS A 92 3.239 -17.169 3.049 1.00 0.00 C -ATOM 1522 CE LYS A 92 4.105 -16.354 4.006 1.00 0.00 C -ATOM 1523 NZ LYS A 92 5.346 -17.051 4.358 1.00 0.00 N -ATOM 1524 H LYS A 92 2.648 -13.207 2.043 1.00 0.00 H -ATOM 1525 HA LYS A 92 4.499 -15.359 1.622 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 1.626 -15.079 0.804 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 2.611 -16.468 0.387 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 1.820 -15.576 3.168 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 1.242 -16.992 2.295 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 2.825 -18.006 3.591 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 3.856 -17.535 2.242 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 4.352 -15.401 3.563 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 3.537 -16.181 4.908 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 5.846 -16.547 5.118 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 5.975 -17.083 3.523 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 5.164 -18.023 4.677 1.00 0.00 H -ATOM 1537 N ARG A 93 4.178 -13.315 -0.712 1.00 0.00 N -ATOM 1538 CA ARG A 93 4.762 -13.004 -1.999 1.00 0.00 C -ATOM 1539 C ARG A 93 6.270 -12.861 -1.808 1.00 0.00 C -ATOM 1540 O ARG A 93 7.077 -13.263 -2.652 1.00 0.00 O -ATOM 1541 CB ARG A 93 4.205 -11.702 -2.575 1.00 0.00 C -ATOM 1542 CG ARG A 93 4.525 -11.520 -4.055 1.00 0.00 C -ATOM 1543 CD ARG A 93 4.402 -10.075 -4.482 1.00 0.00 C -ATOM 1544 NE ARG A 93 5.469 -9.268 -3.883 1.00 0.00 N -ATOM 1545 CZ ARG A 93 5.647 -7.959 -4.044 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 4.833 -7.252 -4.830 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 6.669 -7.368 -3.437 1.00 0.00 N -ATOM 1548 H ARG A 93 3.724 -12.617 -0.188 1.00 0.00 H -ATOM 1549 HA ARG A 93 4.571 -13.822 -2.673 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 3.133 -11.696 -2.453 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 4.630 -10.871 -2.033 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 5.538 -11.852 -4.234 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 3.844 -12.122 -4.638 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 4.476 -10.018 -5.557 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 3.446 -9.691 -4.159 1.00 0.00 H -ATOM 1556 HE ARG A 93 6.108 -9.778 -3.333 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 4.059 -7.667 -5.335 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 4.945 -6.270 -4.973 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 7.317 -7.876 -2.860 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 6.870 -6.384 -3.520 1.00 0.00 H -ATOM 1561 N ILE A 94 6.627 -12.336 -0.664 1.00 0.00 N -ATOM 1562 CA ILE A 94 8.007 -12.049 -0.318 1.00 0.00 C -ATOM 1563 C ILE A 94 8.715 -13.305 0.224 1.00 0.00 C -ATOM 1564 O ILE A 94 9.914 -13.511 0.001 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.046 -10.890 0.714 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 7.313 -9.679 0.124 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 9.484 -10.517 1.072 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 7.130 -8.530 1.075 1.00 0.00 C -ATOM 1569 H ILE A 94 5.925 -12.123 -0.013 1.00 0.00 H -ATOM 1570 HA ILE A 94 8.516 -11.729 -1.214 1.00 0.00 H -ATOM 1571 HB ILE A 94 7.530 -11.199 1.611 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 7.870 -9.311 -0.724 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 6.335 -9.993 -0.214 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 10.004 -10.196 0.182 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 9.985 -11.376 1.494 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 9.475 -9.714 1.795 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 8.094 -8.188 1.420 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 6.532 -8.869 1.908 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 6.616 -7.732 0.561 1.00 0.00 H -ATOM 1580 N LEU A 95 7.989 -14.130 0.924 1.00 0.00 N -ATOM 1581 CA LEU A 95 8.524 -15.364 1.438 1.00 0.00 C -ATOM 1582 C LEU A 95 7.526 -16.482 1.181 1.00 0.00 C -ATOM 1583 O LEU A 95 6.797 -16.886 2.114 1.00 0.00 O -ATOM 1584 CB LEU A 95 8.824 -15.241 2.944 1.00 0.00 C -ATOM 1585 CG LEU A 95 9.450 -16.475 3.611 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 10.827 -16.769 3.038 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 9.509 -16.304 5.118 1.00 0.00 C -ATOM 1588 OXT LEU A 95 7.433 -16.946 0.031 1.00 0.00 O -ATOM 1589 H LEU A 95 7.049 -13.926 1.129 1.00 0.00 H -ATOM 1590 HA LEU A 95 9.440 -15.576 0.908 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 9.494 -14.406 3.085 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 7.898 -15.018 3.452 1.00 0.00 H -ATOM 1593 HG LEU A 95 8.825 -17.330 3.392 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 11.251 -17.627 3.536 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 11.467 -15.912 3.183 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 10.739 -16.978 1.981 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 9.978 -17.169 5.563 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 8.506 -16.203 5.507 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 10.079 -15.420 5.360 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 3 -ATOM 1 N MET A 1 12.213 14.189 -1.788 1.00 0.00 N -ATOM 2 CA MET A 1 12.256 13.166 -2.817 1.00 0.00 C -ATOM 3 C MET A 1 10.875 12.584 -2.947 1.00 0.00 C -ATOM 4 O MET A 1 10.178 12.424 -1.950 1.00 0.00 O -ATOM 5 CB MET A 1 13.246 12.058 -2.435 1.00 0.00 C -ATOM 6 CG MET A 1 13.489 11.022 -3.528 1.00 0.00 C -ATOM 7 SD MET A 1 14.595 9.691 -3.001 1.00 0.00 S -ATOM 8 CE MET A 1 14.750 8.767 -4.530 1.00 0.00 C -ATOM 9 H MET A 1 11.844 13.772 -0.913 1.00 0.00 H -ATOM 10 HA MET A 1 12.549 13.614 -3.753 1.00 0.00 H -ATOM 11 HB2 MET A 1 14.193 12.508 -2.181 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.850 11.548 -1.572 1.00 0.00 H -ATOM 13 HG2 MET A 1 12.542 10.587 -3.814 1.00 0.00 H -ATOM 14 HG3 MET A 1 13.928 11.519 -4.381 1.00 0.00 H -ATOM 15 HE1 MET A 1 15.395 7.916 -4.374 1.00 0.00 H -ATOM 16 HE2 MET A 1 15.170 9.401 -5.296 1.00 0.00 H -ATOM 17 HE3 MET A 1 13.774 8.426 -4.843 1.00 0.00 H -ATOM 18 N ALA A 2 10.477 12.297 -4.144 1.00 0.00 N -ATOM 19 CA ALA A 2 9.206 11.670 -4.399 1.00 0.00 C -ATOM 20 C ALA A 2 9.470 10.342 -5.055 1.00 0.00 C -ATOM 21 O ALA A 2 10.590 10.084 -5.508 1.00 0.00 O -ATOM 22 CB ALA A 2 8.319 12.536 -5.278 1.00 0.00 C -ATOM 23 H ALA A 2 11.078 12.481 -4.900 1.00 0.00 H -ATOM 24 HA ALA A 2 8.721 11.504 -3.448 1.00 0.00 H -ATOM 25 HB1 ALA A 2 7.376 12.030 -5.424 1.00 0.00 H -ATOM 26 HB2 ALA A 2 8.798 12.696 -6.232 1.00 0.00 H -ATOM 27 HB3 ALA A 2 8.145 13.484 -4.789 1.00 0.00 H -ATOM 28 N TYR A 3 8.485 9.503 -5.103 1.00 0.00 N -ATOM 29 CA TYR A 3 8.647 8.178 -5.655 1.00 0.00 C -ATOM 30 C TYR A 3 7.494 7.881 -6.569 1.00 0.00 C -ATOM 31 O TYR A 3 6.500 8.620 -6.579 1.00 0.00 O -ATOM 32 CB TYR A 3 8.692 7.122 -4.528 1.00 0.00 C -ATOM 33 CG TYR A 3 9.844 7.280 -3.557 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.771 8.185 -2.509 1.00 0.00 C -ATOM 35 CD2 TYR A 3 11.008 6.538 -3.699 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.814 8.349 -1.633 1.00 0.00 C -ATOM 37 CE2 TYR A 3 12.064 6.699 -2.822 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.957 7.610 -1.790 1.00 0.00 C -ATOM 39 OH TYR A 3 12.995 7.780 -0.907 1.00 0.00 O -ATOM 40 H TYR A 3 7.597 9.768 -4.781 1.00 0.00 H -ATOM 41 HA TYR A 3 9.575 8.142 -6.207 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.779 7.188 -3.955 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.757 6.139 -4.971 1.00 0.00 H -ATOM 44 HD1 TYR A 3 8.870 8.767 -2.383 1.00 0.00 H -ATOM 45 HD2 TYR A 3 11.079 5.826 -4.508 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.733 9.061 -0.826 1.00 0.00 H -ATOM 47 HE2 TYR A 3 12.963 6.115 -2.945 1.00 0.00 H -ATOM 48 HH TYR A 3 13.798 7.953 -1.414 1.00 0.00 H -ATOM 49 N PHE A 4 7.622 6.839 -7.338 1.00 0.00 N -ATOM 50 CA PHE A 4 6.543 6.390 -8.176 1.00 0.00 C -ATOM 51 C PHE A 4 5.601 5.570 -7.322 1.00 0.00 C -ATOM 52 O PHE A 4 5.996 5.079 -6.278 1.00 0.00 O -ATOM 53 CB PHE A 4 7.072 5.535 -9.336 1.00 0.00 C -ATOM 54 CG PHE A 4 7.967 6.265 -10.290 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.438 7.159 -11.203 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.335 6.056 -10.276 1.00 0.00 C -ATOM 57 CE1 PHE A 4 8.255 7.833 -12.083 1.00 0.00 C -ATOM 58 CE2 PHE A 4 10.158 6.726 -11.155 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.617 7.615 -12.060 1.00 0.00 C -ATOM 60 H PHE A 4 8.472 6.343 -7.336 1.00 0.00 H -ATOM 61 HA PHE A 4 6.028 7.253 -8.564 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.652 4.726 -8.919 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.247 5.115 -9.892 1.00 0.00 H -ATOM 64 HD1 PHE A 4 6.372 7.329 -11.220 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.758 5.359 -9.567 1.00 0.00 H -ATOM 66 HE1 PHE A 4 7.831 8.528 -12.793 1.00 0.00 H -ATOM 67 HE2 PHE A 4 11.224 6.555 -11.134 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.258 8.140 -12.752 1.00 0.00 H -ATOM 69 N LEU A 5 4.382 5.441 -7.729 1.00 0.00 N -ATOM 70 CA LEU A 5 3.428 4.641 -6.991 1.00 0.00 C -ATOM 71 C LEU A 5 2.851 3.635 -7.960 1.00 0.00 C -ATOM 72 O LEU A 5 2.315 4.022 -9.003 1.00 0.00 O -ATOM 73 CB LEU A 5 2.316 5.558 -6.403 1.00 0.00 C -ATOM 74 CG LEU A 5 1.372 4.989 -5.293 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.517 3.825 -5.761 1.00 0.00 C -ATOM 76 CD2 LEU A 5 2.155 4.604 -4.053 1.00 0.00 C -ATOM 77 H LEU A 5 4.089 5.886 -8.552 1.00 0.00 H -ATOM 78 HA LEU A 5 3.946 4.129 -6.193 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.807 6.426 -5.992 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.700 5.887 -7.228 1.00 0.00 H -ATOM 81 HG LEU A 5 0.689 5.777 -5.011 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.155 4.154 -6.540 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.041 3.432 -4.924 1.00 0.00 H -ATOM 84 HD13 LEU A 5 1.163 3.049 -6.146 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.893 3.857 -4.309 1.00 0.00 H -ATOM 86 HD22 LEU A 5 1.479 4.197 -3.316 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.647 5.474 -3.646 1.00 0.00 H -ATOM 88 N ASP A 6 2.973 2.368 -7.658 1.00 0.00 N -ATOM 89 CA ASP A 6 2.436 1.352 -8.533 1.00 0.00 C -ATOM 90 C ASP A 6 1.814 0.241 -7.695 1.00 0.00 C -ATOM 91 O ASP A 6 1.999 0.213 -6.479 1.00 0.00 O -ATOM 92 CB ASP A 6 3.511 0.824 -9.492 1.00 0.00 C -ATOM 93 CG ASP A 6 2.910 0.263 -10.757 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.708 1.038 -11.730 1.00 0.00 O -ATOM 95 OD2 ASP A 6 2.595 -0.925 -10.805 1.00 0.00 O -ATOM 96 H ASP A 6 3.422 2.090 -6.824 1.00 0.00 H -ATOM 97 HA ASP A 6 1.641 1.811 -9.100 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.176 1.632 -9.758 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.074 0.044 -9.000 1.00 0.00 H -ATOM 100 N PHE A 7 1.092 -0.657 -8.317 1.00 0.00 N -ATOM 101 CA PHE A 7 0.335 -1.675 -7.599 1.00 0.00 C -ATOM 102 C PHE A 7 0.634 -3.044 -8.177 1.00 0.00 C -ATOM 103 O PHE A 7 0.889 -3.164 -9.383 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.187 -1.450 -7.778 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.757 -0.123 -7.331 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -1.661 1.001 -8.138 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.422 -0.014 -6.124 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.206 2.205 -7.746 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.975 1.187 -5.726 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.867 2.296 -6.537 1.00 0.00 C -ATOM 111 H PHE A 7 1.108 -0.693 -9.299 1.00 0.00 H -ATOM 112 HA PHE A 7 0.571 -1.638 -6.548 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.413 -1.538 -8.830 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.711 -2.234 -7.253 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.142 0.930 -9.084 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.504 -0.881 -5.485 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.119 3.072 -8.383 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.492 1.257 -4.780 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.297 3.238 -6.228 1.00 0.00 H -ATOM 120 N ASP A 8 0.604 -4.071 -7.342 1.00 0.00 N -ATOM 121 CA ASP A 8 0.669 -5.450 -7.842 1.00 0.00 C -ATOM 122 C ASP A 8 -0.601 -5.708 -8.646 1.00 0.00 C -ATOM 123 O ASP A 8 -1.624 -5.042 -8.412 1.00 0.00 O -ATOM 124 CB ASP A 8 0.770 -6.474 -6.684 1.00 0.00 C -ATOM 125 CG ASP A 8 0.871 -7.915 -7.183 1.00 0.00 C -ATOM 126 OD1 ASP A 8 2.003 -8.376 -7.498 1.00 0.00 O -ATOM 127 OD2 ASP A 8 -0.167 -8.593 -7.306 1.00 0.00 O -ATOM 128 H ASP A 8 0.560 -3.913 -6.372 1.00 0.00 H -ATOM 129 HA ASP A 8 1.529 -5.532 -8.491 1.00 0.00 H -ATOM 130 HB2 ASP A 8 1.644 -6.258 -6.089 1.00 0.00 H -ATOM 131 HB3 ASP A 8 -0.109 -6.388 -6.063 1.00 0.00 H -ATOM 132 N GLU A 9 -0.558 -6.628 -9.585 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.715 -6.902 -10.412 1.00 0.00 C -ATOM 134 C GLU A 9 -2.912 -7.394 -9.565 1.00 0.00 C -ATOM 135 O GLU A 9 -4.065 -7.069 -9.861 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.347 -7.835 -11.584 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.932 -9.256 -11.217 1.00 0.00 C -ATOM 138 CD GLU A 9 -2.051 -10.240 -11.442 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -2.307 -10.590 -12.617 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -2.692 -10.687 -10.479 1.00 0.00 O -ATOM 141 H GLU A 9 0.271 -7.136 -9.720 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.008 -5.941 -10.811 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.200 -7.908 -12.241 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.535 -7.378 -12.131 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -0.086 -9.546 -11.821 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -0.657 -9.274 -10.172 1.00 0.00 H -ATOM 147 N ARG A 10 -2.627 -8.114 -8.474 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.675 -8.540 -7.560 1.00 0.00 C -ATOM 149 C ARG A 10 -4.192 -7.381 -6.754 1.00 0.00 C -ATOM 150 O ARG A 10 -5.383 -7.322 -6.424 1.00 0.00 O -ATOM 151 CB ARG A 10 -3.238 -9.661 -6.645 1.00 0.00 C -ATOM 152 CG ARG A 10 -3.105 -10.998 -7.326 1.00 0.00 C -ATOM 153 CD ARG A 10 -2.803 -12.074 -6.316 1.00 0.00 C -ATOM 154 NE ARG A 10 -3.888 -12.189 -5.326 1.00 0.00 N -ATOM 155 CZ ARG A 10 -3.706 -12.428 -4.030 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -2.502 -12.720 -3.577 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -4.735 -12.398 -3.191 1.00 0.00 N -ATOM 158 H ARG A 10 -1.688 -8.348 -8.272 1.00 0.00 H -ATOM 159 HA ARG A 10 -4.492 -8.888 -8.169 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -2.274 -9.403 -6.231 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.945 -9.756 -5.835 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -4.034 -11.229 -7.826 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -2.304 -10.943 -8.047 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -2.663 -13.018 -6.822 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -1.898 -11.783 -5.805 1.00 0.00 H -ATOM 166 HE ARG A 10 -4.789 -12.028 -5.689 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -1.698 -12.786 -4.174 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -2.329 -12.866 -2.591 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -5.672 -12.207 -3.487 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -4.593 -12.534 -2.197 1.00 0.00 H -ATOM 171 N ALA A 11 -3.302 -6.463 -6.437 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.667 -5.266 -5.714 1.00 0.00 C -ATOM 173 C ALA A 11 -4.613 -4.407 -6.554 1.00 0.00 C -ATOM 174 O ALA A 11 -5.526 -3.813 -6.018 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.432 -4.478 -5.288 1.00 0.00 C -ATOM 176 H ALA A 11 -2.370 -6.611 -6.707 1.00 0.00 H -ATOM 177 HA ALA A 11 -4.200 -5.583 -4.829 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.887 -4.156 -6.162 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.795 -5.101 -4.677 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -2.733 -3.612 -4.716 1.00 0.00 H -ATOM 181 N LEU A 12 -4.414 -4.396 -7.879 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.279 -3.648 -8.790 1.00 0.00 C -ATOM 183 C LEU A 12 -6.665 -4.238 -8.822 1.00 0.00 C -ATOM 184 O LEU A 12 -7.665 -3.512 -8.776 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.709 -3.623 -10.204 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.537 -2.688 -10.462 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.027 -2.881 -11.879 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -3.966 -1.233 -10.255 1.00 0.00 C -ATOM 189 H LEU A 12 -3.667 -4.906 -8.260 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.345 -2.635 -8.425 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.392 -4.626 -10.448 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.512 -3.354 -10.870 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.738 -2.911 -9.771 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -2.681 -3.896 -12.003 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.217 -2.193 -12.071 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -3.830 -2.690 -12.576 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -3.130 -0.580 -10.457 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -4.294 -1.081 -9.237 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.776 -0.992 -10.926 1.00 0.00 H -ATOM 200 N LYS A 13 -6.718 -5.554 -8.882 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.974 -6.277 -8.903 1.00 0.00 C -ATOM 202 C LYS A 13 -8.781 -5.969 -7.649 1.00 0.00 C -ATOM 203 O LYS A 13 -9.978 -5.684 -7.732 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.699 -7.771 -8.994 1.00 0.00 C -ATOM 205 CG LYS A 13 -7.041 -8.211 -10.290 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.492 -9.612 -10.148 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.889 -10.130 -11.435 1.00 0.00 C -ATOM 208 NZ LYS A 13 -5.170 -11.407 -11.223 1.00 0.00 N -ATOM 209 H LYS A 13 -5.872 -6.048 -8.930 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.532 -5.970 -9.775 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -7.053 -8.055 -8.176 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.637 -8.297 -8.899 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.771 -8.190 -11.085 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -6.230 -7.534 -10.518 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.719 -9.591 -9.396 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -7.291 -10.268 -9.835 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -6.678 -10.282 -12.156 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -5.195 -9.392 -11.806 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -5.724 -12.090 -10.666 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -4.251 -11.236 -10.752 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -4.936 -11.851 -12.132 1.00 0.00 H -ATOM 222 N GLU A 14 -8.108 -5.979 -6.498 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.731 -5.641 -5.242 1.00 0.00 C -ATOM 224 C GLU A 14 -9.083 -4.165 -5.150 1.00 0.00 C -ATOM 225 O GLU A 14 -10.113 -3.818 -4.636 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.867 -6.078 -4.086 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.751 -7.578 -4.005 1.00 0.00 C -ATOM 228 CD GLU A 14 -9.090 -8.242 -3.737 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -9.470 -8.416 -2.552 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -9.783 -8.605 -4.693 1.00 0.00 O -ATOM 231 H GLU A 14 -7.164 -6.254 -6.471 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.644 -6.214 -5.207 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.880 -5.658 -4.205 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.303 -5.721 -3.165 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -7.387 -7.917 -4.964 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -7.035 -7.845 -3.248 1.00 0.00 H -ATOM 237 N TRP A 15 -8.236 -3.321 -5.679 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.445 -1.870 -5.692 1.00 0.00 C -ATOM 239 C TRP A 15 -9.735 -1.527 -6.461 1.00 0.00 C -ATOM 240 O TRP A 15 -10.546 -0.690 -6.033 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.212 -1.213 -6.338 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.252 0.270 -6.474 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.579 0.969 -7.590 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.922 1.236 -5.476 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.499 2.313 -7.347 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.091 2.506 -6.057 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.508 1.152 -4.148 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.857 3.679 -5.356 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.275 2.318 -3.456 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.449 3.564 -4.058 1.00 0.00 C -ATOM 251 H TRP A 15 -7.404 -3.669 -6.071 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.539 -1.529 -4.669 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.342 -1.456 -5.745 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.079 -1.636 -7.322 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -7.869 0.506 -8.521 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.699 3.015 -8.002 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.367 0.196 -3.666 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.988 4.650 -5.811 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.952 2.278 -2.426 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.252 4.451 -3.473 1.00 0.00 H -ATOM 261 N ARG A 16 -9.930 -2.193 -7.575 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.129 -2.022 -8.380 1.00 0.00 C -ATOM 263 C ARG A 16 -12.335 -2.714 -7.729 1.00 0.00 C -ATOM 264 O ARG A 16 -13.479 -2.338 -7.956 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.884 -2.526 -9.793 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.849 -1.702 -10.536 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.541 -2.269 -11.904 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.609 -1.405 -12.643 1.00 0.00 N -ATOM 269 CZ ARG A 16 -8.074 -1.686 -13.832 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -8.211 -2.894 -14.355 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -7.347 -0.774 -14.469 1.00 0.00 N -ATOM 272 H ARG A 16 -9.225 -2.809 -7.877 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.332 -0.962 -8.417 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.543 -3.550 -9.747 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.814 -2.484 -10.341 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.223 -0.695 -10.656 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.942 -1.677 -9.953 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.093 -3.244 -11.781 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -10.458 -2.359 -12.467 1.00 0.00 H -ATOM 280 HE ARG A 16 -8.425 -0.542 -12.201 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.700 -3.630 -13.882 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -7.828 -3.128 -15.252 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -7.177 0.137 -14.083 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -6.946 -0.976 -15.368 1.00 0.00 H -ATOM 285 N LYS A 17 -12.050 -3.698 -6.913 1.00 0.00 N -ATOM 286 CA LYS A 17 -13.043 -4.451 -6.150 1.00 0.00 C -ATOM 287 C LYS A 17 -13.512 -3.660 -4.914 1.00 0.00 C -ATOM 288 O LYS A 17 -14.655 -3.816 -4.455 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.436 -5.854 -5.828 1.00 0.00 C -ATOM 290 CG LYS A 17 -12.958 -6.647 -4.625 1.00 0.00 C -ATOM 291 CD LYS A 17 -12.346 -6.156 -3.312 1.00 0.00 C -ATOM 292 CE LYS A 17 -12.753 -7.015 -2.133 1.00 0.00 C -ATOM 293 NZ LYS A 17 -12.271 -8.413 -2.263 1.00 0.00 N -ATOM 294 H LYS A 17 -11.105 -3.945 -6.818 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.900 -4.586 -6.795 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -12.570 -6.480 -6.695 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.376 -5.703 -5.701 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -14.030 -6.543 -4.573 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -12.702 -7.686 -4.763 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -11.270 -6.180 -3.397 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -12.672 -5.140 -3.140 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -12.343 -6.584 -1.232 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -13.831 -7.017 -2.071 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -12.711 -8.876 -3.083 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -12.564 -8.957 -1.424 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -11.232 -8.452 -2.362 1.00 0.00 H -ATOM 307 N LEU A 18 -12.626 -2.830 -4.389 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.909 -1.953 -3.258 1.00 0.00 C -ATOM 309 C LEU A 18 -13.977 -0.937 -3.603 1.00 0.00 C -ATOM 310 O LEU A 18 -14.245 -0.662 -4.786 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.641 -1.206 -2.812 1.00 0.00 C -ATOM 312 CG LEU A 18 -10.944 -1.677 -1.525 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.514 -3.128 -1.600 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.760 -0.785 -1.239 1.00 0.00 C -ATOM 315 H LEU A 18 -11.720 -2.824 -4.770 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.252 -2.561 -2.435 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.926 -1.268 -3.617 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.904 -0.166 -2.689 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.621 -1.587 -0.691 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -9.828 -3.257 -2.424 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -11.386 -3.747 -1.750 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.027 -3.404 -0.677 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.268 -1.111 -0.335 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -10.110 0.230 -1.116 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.068 -0.827 -2.067 1.00 0.00 H -ATOM 326 N GLY A 19 -14.563 -0.379 -2.588 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.569 0.609 -2.769 1.00 0.00 C -ATOM 328 C GLY A 19 -14.952 1.905 -3.185 1.00 0.00 C -ATOM 329 O GLY A 19 -13.842 2.237 -2.731 1.00 0.00 O -ATOM 330 H GLY A 19 -14.286 -0.627 -1.681 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.260 0.279 -3.529 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.093 0.755 -1.836 1.00 0.00 H -ATOM 333 N SER A 20 -15.655 2.635 -4.022 1.00 0.00 N -ATOM 334 CA SER A 20 -15.200 3.894 -4.587 1.00 0.00 C -ATOM 335 C SER A 20 -14.728 4.855 -3.494 1.00 0.00 C -ATOM 336 O SER A 20 -13.643 5.405 -3.567 1.00 0.00 O -ATOM 337 CB SER A 20 -16.360 4.506 -5.346 1.00 0.00 C -ATOM 338 OG SER A 20 -16.920 3.560 -6.252 1.00 0.00 O -ATOM 339 H SER A 20 -16.548 2.326 -4.291 1.00 0.00 H -ATOM 340 HA SER A 20 -14.399 3.698 -5.284 1.00 0.00 H -ATOM 341 HB2 SER A 20 -17.123 4.808 -4.642 1.00 0.00 H -ATOM 342 HB3 SER A 20 -16.025 5.369 -5.901 1.00 0.00 H -ATOM 343 HG SER A 20 -17.492 4.082 -6.830 1.00 0.00 H -ATOM 344 N THR A 21 -15.529 4.964 -2.466 1.00 0.00 N -ATOM 345 CA THR A 21 -15.292 5.842 -1.349 1.00 0.00 C -ATOM 346 C THR A 21 -13.997 5.440 -0.624 1.00 0.00 C -ATOM 347 O THR A 21 -13.126 6.269 -0.376 1.00 0.00 O -ATOM 348 CB THR A 21 -16.471 5.702 -0.376 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.697 5.680 -1.133 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.516 6.851 0.618 1.00 0.00 C -ATOM 351 H THR A 21 -16.338 4.416 -2.453 1.00 0.00 H -ATOM 352 HA THR A 21 -15.243 6.865 -1.687 1.00 0.00 H -ATOM 353 HB THR A 21 -16.353 4.768 0.152 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.991 6.591 -1.259 1.00 0.00 H -ATOM 355 HG21 THR A 21 -17.348 6.710 1.291 1.00 0.00 H -ATOM 356 HG22 THR A 21 -16.643 7.780 0.083 1.00 0.00 H -ATOM 357 HG23 THR A 21 -15.595 6.878 1.181 1.00 0.00 H -ATOM 358 N VAL A 22 -13.860 4.146 -0.378 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.745 3.612 0.379 1.00 0.00 C -ATOM 360 C VAL A 22 -11.443 3.812 -0.371 1.00 0.00 C -ATOM 361 O VAL A 22 -10.464 4.322 0.187 1.00 0.00 O -ATOM 362 CB VAL A 22 -12.961 2.105 0.699 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -11.753 1.507 1.403 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.205 1.927 1.557 1.00 0.00 C -ATOM 365 H VAL A 22 -14.514 3.524 -0.756 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.692 4.155 1.311 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.115 1.577 -0.231 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -11.585 2.029 2.333 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -10.883 1.608 0.772 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -11.931 0.461 1.605 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -15.071 2.274 1.013 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -14.095 2.503 2.463 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.328 0.885 1.813 1.00 0.00 H -ATOM 374 N ARG A 23 -11.447 3.475 -1.644 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.261 3.633 -2.448 1.00 0.00 C -ATOM 376 C ARG A 23 -9.896 5.096 -2.647 1.00 0.00 C -ATOM 377 O ARG A 23 -8.717 5.428 -2.704 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.323 2.889 -3.767 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.501 3.224 -4.633 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.263 2.722 -6.026 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.378 3.029 -6.917 1.00 0.00 N -ATOM 382 CZ ARG A 23 -13.075 2.115 -7.612 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.842 0.803 -7.444 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -14.013 2.516 -8.456 1.00 0.00 N -ATOM 385 H ARG A 23 -12.274 3.113 -2.033 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.465 3.207 -1.854 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.426 3.108 -4.327 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.348 1.829 -3.559 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.348 2.692 -4.222 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.732 4.279 -4.629 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.371 3.217 -6.382 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -11.098 1.656 -5.994 1.00 0.00 H -ATOM 393 HE ARG A 23 -12.569 3.989 -7.008 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -12.155 0.440 -6.807 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -13.359 0.121 -7.974 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -14.236 3.482 -8.613 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -14.548 1.865 -8.999 1.00 0.00 H -ATOM 398 N GLU A 24 -10.900 5.973 -2.757 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.629 7.391 -2.885 1.00 0.00 C -ATOM 400 C GLU A 24 -9.860 7.932 -1.700 1.00 0.00 C -ATOM 401 O GLU A 24 -8.947 8.727 -1.874 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.874 8.221 -3.178 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.331 8.116 -4.623 1.00 0.00 C -ATOM 404 CD GLU A 24 -13.490 9.022 -4.942 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -13.266 10.237 -5.183 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -14.646 8.545 -4.955 1.00 0.00 O -ATOM 407 H GLU A 24 -11.834 5.664 -2.761 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.968 7.460 -3.737 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.672 7.855 -2.545 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.679 9.259 -2.952 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -11.505 8.379 -5.267 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.623 7.094 -4.814 1.00 0.00 H -ATOM 413 N GLN A 25 -10.181 7.476 -0.500 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.422 7.912 0.655 1.00 0.00 C -ATOM 415 C GLN A 25 -8.015 7.344 0.622 1.00 0.00 C -ATOM 416 O GLN A 25 -7.046 8.039 0.926 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.102 7.590 1.984 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.125 8.618 2.461 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.345 8.753 1.583 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -12.375 9.535 0.631 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.378 8.036 1.916 1.00 0.00 N -ATOM 422 H GLN A 25 -10.920 6.836 -0.395 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.334 8.983 0.558 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.607 6.640 1.886 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.331 7.506 2.737 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.458 8.322 3.444 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -10.631 9.573 2.535 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.318 7.453 2.704 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -14.185 8.097 1.364 1.00 0.00 H -ATOM 430 N LEU A 26 -7.906 6.104 0.203 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.625 5.436 0.115 1.00 0.00 C -ATOM 432 C LEU A 26 -5.698 6.121 -0.892 1.00 0.00 C -ATOM 433 O LEU A 26 -4.523 6.338 -0.601 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.800 3.959 -0.237 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.565 3.086 0.781 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.600 1.647 0.322 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.951 3.188 2.174 1.00 0.00 C -ATOM 438 H LEU A 26 -8.719 5.615 -0.047 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.161 5.505 1.088 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.334 3.917 -1.175 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.819 3.539 -0.393 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.595 3.410 0.835 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.089 1.586 -0.639 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.144 1.054 1.041 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -6.591 1.271 0.234 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -7.014 4.206 2.528 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -5.915 2.884 2.131 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -7.486 2.539 2.851 1.00 0.00 H -ATOM 449 N LYS A 27 -6.232 6.487 -2.055 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.426 7.144 -3.090 1.00 0.00 C -ATOM 451 C LYS A 27 -4.915 8.504 -2.631 1.00 0.00 C -ATOM 452 O LYS A 27 -3.816 8.932 -3.025 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.188 7.300 -4.387 1.00 0.00 C -ATOM 454 CG LYS A 27 -7.246 8.386 -4.389 1.00 0.00 C -ATOM 455 CD LYS A 27 -7.728 8.709 -5.785 1.00 0.00 C -ATOM 456 CE LYS A 27 -6.605 9.325 -6.607 1.00 0.00 C -ATOM 457 NZ LYS A 27 -7.055 9.712 -7.954 1.00 0.00 N -ATOM 458 H LYS A 27 -7.173 6.251 -2.230 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.568 6.513 -3.265 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -5.518 7.410 -5.223 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -6.718 6.366 -4.453 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -8.071 8.062 -3.775 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -6.804 9.267 -3.947 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -8.061 7.800 -6.263 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -8.547 9.412 -5.722 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -6.227 10.182 -6.069 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -5.800 8.613 -6.690 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -7.420 8.883 -8.465 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -6.269 10.102 -8.509 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -7.815 10.422 -7.920 1.00 0.00 H -ATOM 471 N LYS A 28 -5.728 9.185 -1.829 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.336 10.477 -1.225 1.00 0.00 C -ATOM 473 C LYS A 28 -4.097 10.272 -0.401 1.00 0.00 C -ATOM 474 O LYS A 28 -3.144 11.037 -0.477 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.421 11.024 -0.304 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.732 11.305 -0.964 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.790 11.630 0.074 1.00 0.00 C -ATOM 478 CE LYS A 28 -10.178 11.672 -0.534 1.00 0.00 C -ATOM 479 NZ LYS A 28 -10.334 12.760 -1.511 1.00 0.00 N -ATOM 480 H LYS A 28 -6.617 8.780 -1.702 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.137 11.185 -2.017 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.601 10.306 0.484 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.059 11.938 0.139 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.598 12.145 -1.630 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -8.029 10.433 -1.529 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -8.764 10.887 0.857 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.563 12.595 0.502 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -10.343 10.730 -1.035 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.899 11.788 0.261 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -9.629 12.663 -2.267 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -10.217 13.687 -1.056 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -11.277 12.726 -1.947 1.00 0.00 H -ATOM 493 N LYS A 29 -4.107 9.193 0.355 1.00 0.00 N -ATOM 494 CA LYS A 29 -2.992 8.858 1.212 1.00 0.00 C -ATOM 495 C LYS A 29 -1.768 8.511 0.422 1.00 0.00 C -ATOM 496 O LYS A 29 -0.666 8.838 0.826 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.316 7.780 2.242 1.00 0.00 C -ATOM 498 CG LYS A 29 -3.939 8.295 3.540 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.300 8.923 3.346 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.838 9.452 4.657 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.994 10.540 5.192 1.00 0.00 N -ATOM 502 H LYS A 29 -4.895 8.610 0.284 1.00 0.00 H -ATOM 503 HA LYS A 29 -2.749 9.765 1.743 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.004 7.075 1.800 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.400 7.264 2.491 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.044 7.475 4.234 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.274 9.032 3.964 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -5.216 9.737 2.640 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -5.981 8.180 2.958 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.847 9.806 4.514 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.844 8.635 5.362 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -4.034 10.197 5.394 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -5.385 10.921 6.077 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.908 11.311 4.499 1.00 0.00 H -ATOM 515 N LEU A 30 -1.969 7.883 -0.718 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.877 7.517 -1.596 1.00 0.00 C -ATOM 517 C LEU A 30 -0.141 8.759 -2.077 1.00 0.00 C -ATOM 518 O LEU A 30 1.077 8.840 -1.974 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.395 6.742 -2.815 1.00 0.00 C -ATOM 520 CG LEU A 30 -2.177 5.460 -2.533 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.624 4.811 -3.827 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.345 4.496 -1.718 1.00 0.00 C -ATOM 523 H LEU A 30 -2.891 7.647 -0.962 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.193 6.885 -1.048 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.041 7.403 -3.374 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.547 6.490 -3.434 1.00 0.00 H -ATOM 527 HG LEU A 30 -3.063 5.710 -1.967 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -1.759 4.554 -4.419 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -3.240 5.499 -4.386 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -3.185 3.915 -3.608 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -1.904 3.587 -1.549 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -1.122 4.962 -0.769 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.425 4.275 -2.237 1.00 0.00 H -ATOM 534 N VAL A 31 -0.892 9.749 -2.537 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.291 10.946 -3.092 1.00 0.00 C -ATOM 536 C VAL A 31 0.411 11.798 -2.011 1.00 0.00 C -ATOM 537 O VAL A 31 1.517 12.318 -2.238 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.290 11.788 -3.967 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -2.422 12.409 -3.165 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -0.562 12.834 -4.790 1.00 0.00 C -ATOM 541 H VAL A 31 -1.871 9.668 -2.488 1.00 0.00 H -ATOM 542 HA VAL A 31 0.499 10.582 -3.736 1.00 0.00 H -ATOM 543 HB VAL A 31 -1.759 11.100 -4.656 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -3.069 12.966 -3.826 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -2.009 13.071 -2.419 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -2.989 11.628 -2.679 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -1.283 13.389 -5.373 1.00 0.00 H -ATOM 548 HG22 VAL A 31 0.141 12.350 -5.450 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -0.035 13.508 -4.132 1.00 0.00 H -ATOM 550 N GLU A 32 -0.212 11.923 -0.838 1.00 0.00 N -ATOM 551 CA GLU A 32 0.399 12.666 0.258 1.00 0.00 C -ATOM 552 C GLU A 32 1.644 11.947 0.831 1.00 0.00 C -ATOM 553 O GLU A 32 2.696 12.569 1.040 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.642 13.030 1.356 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.411 11.848 1.922 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.517 12.232 2.899 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -3.361 13.082 2.566 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -2.599 11.636 4.008 1.00 0.00 O -ATOM 559 H GLU A 32 -1.108 11.533 -0.713 1.00 0.00 H -ATOM 560 HA GLU A 32 0.758 13.583 -0.187 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.144 13.533 2.171 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.357 13.707 0.913 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -1.861 11.343 1.081 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.715 11.182 2.410 1.00 0.00 H -ATOM 565 N VAL A 33 1.551 10.633 1.007 1.00 0.00 N -ATOM 566 CA VAL A 33 2.633 9.873 1.616 1.00 0.00 C -ATOM 567 C VAL A 33 3.896 9.864 0.740 1.00 0.00 C -ATOM 568 O VAL A 33 4.993 9.838 1.254 1.00 0.00 O -ATOM 569 CB VAL A 33 2.225 8.430 2.048 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.142 7.452 0.876 1.00 0.00 C -ATOM 571 CG2 VAL A 33 3.145 7.916 3.143 1.00 0.00 C -ATOM 572 H VAL A 33 0.737 10.158 0.729 1.00 0.00 H -ATOM 573 HA VAL A 33 2.898 10.430 2.503 1.00 0.00 H -ATOM 574 HB VAL A 33 1.230 8.500 2.463 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.407 7.807 0.168 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.854 6.477 1.239 1.00 0.00 H -ATOM 577 HG13 VAL A 33 3.106 7.388 0.392 1.00 0.00 H -ATOM 578 HG21 VAL A 33 4.154 7.888 2.761 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.841 6.922 3.435 1.00 0.00 H -ATOM 580 HG23 VAL A 33 3.101 8.575 3.998 1.00 0.00 H -ATOM 581 N LEU A 34 3.716 9.924 -0.578 1.00 0.00 N -ATOM 582 CA LEU A 34 4.824 9.904 -1.547 1.00 0.00 C -ATOM 583 C LEU A 34 5.874 10.978 -1.308 1.00 0.00 C -ATOM 584 O LEU A 34 7.030 10.787 -1.685 1.00 0.00 O -ATOM 585 CB LEU A 34 4.316 10.037 -2.982 1.00 0.00 C -ATOM 586 CG LEU A 34 3.631 8.822 -3.590 1.00 0.00 C -ATOM 587 CD1 LEU A 34 3.078 9.182 -4.952 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.618 7.672 -3.717 1.00 0.00 C -ATOM 589 H LEU A 34 2.799 9.968 -0.920 1.00 0.00 H -ATOM 590 HA LEU A 34 5.310 8.945 -1.462 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.616 10.858 -3.006 1.00 0.00 H -ATOM 592 HB3 LEU A 34 5.159 10.299 -3.608 1.00 0.00 H -ATOM 593 HG LEU A 34 2.814 8.507 -2.957 1.00 0.00 H -ATOM 594 HD11 LEU A 34 2.397 10.013 -4.860 1.00 0.00 H -ATOM 595 HD12 LEU A 34 2.552 8.337 -5.368 1.00 0.00 H -ATOM 596 HD13 LEU A 34 3.895 9.461 -5.600 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.144 6.836 -4.207 1.00 0.00 H -ATOM 598 HD22 LEU A 34 4.949 7.367 -2.736 1.00 0.00 H -ATOM 599 HD23 LEU A 34 5.467 7.997 -4.300 1.00 0.00 H -ATOM 600 N GLU A 35 5.502 12.096 -0.686 1.00 0.00 N -ATOM 601 CA GLU A 35 6.478 13.157 -0.496 1.00 0.00 C -ATOM 602 C GLU A 35 7.412 12.857 0.684 1.00 0.00 C -ATOM 603 O GLU A 35 8.483 13.461 0.816 1.00 0.00 O -ATOM 604 CB GLU A 35 5.812 14.513 -0.304 1.00 0.00 C -ATOM 605 CG GLU A 35 5.022 14.647 0.981 1.00 0.00 C -ATOM 606 CD GLU A 35 4.522 16.033 1.173 1.00 0.00 C -ATOM 607 OE1 GLU A 35 5.357 16.944 1.397 1.00 0.00 O -ATOM 608 OE2 GLU A 35 3.297 16.267 1.061 1.00 0.00 O -ATOM 609 H GLU A 35 4.583 12.197 -0.348 1.00 0.00 H -ATOM 610 HA GLU A 35 7.077 13.188 -1.395 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.575 15.278 -0.310 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.142 14.689 -1.131 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.179 13.973 0.949 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.661 14.386 1.812 1.00 0.00 H -ATOM 615 N SER A 36 6.994 11.959 1.552 1.00 0.00 N -ATOM 616 CA SER A 36 7.765 11.567 2.719 1.00 0.00 C -ATOM 617 C SER A 36 7.327 10.179 3.200 1.00 0.00 C -ATOM 618 O SER A 36 6.746 10.049 4.260 1.00 0.00 O -ATOM 619 CB SER A 36 7.589 12.600 3.849 1.00 0.00 C -ATOM 620 OG SER A 36 8.035 13.908 3.444 1.00 0.00 O -ATOM 621 H SER A 36 6.135 11.507 1.400 1.00 0.00 H -ATOM 622 HA SER A 36 8.807 11.516 2.453 1.00 0.00 H -ATOM 623 HB2 SER A 36 6.543 12.655 4.115 1.00 0.00 H -ATOM 624 HB3 SER A 36 8.158 12.286 4.711 1.00 0.00 H -ATOM 625 HG SER A 36 8.402 13.775 2.554 1.00 0.00 H -ATOM 626 N PRO A 37 7.586 9.112 2.419 1.00 0.00 N -ATOM 627 CA PRO A 37 7.122 7.764 2.762 1.00 0.00 C -ATOM 628 C PRO A 37 7.924 7.089 3.874 1.00 0.00 C -ATOM 629 O PRO A 37 7.603 5.993 4.277 1.00 0.00 O -ATOM 630 CB PRO A 37 7.261 7.000 1.451 1.00 0.00 C -ATOM 631 CG PRO A 37 8.392 7.665 0.763 1.00 0.00 C -ATOM 632 CD PRO A 37 8.285 9.126 1.110 1.00 0.00 C -ATOM 633 HA PRO A 37 6.084 7.779 3.055 1.00 0.00 H -ATOM 634 HB2 PRO A 37 7.469 5.962 1.662 1.00 0.00 H -ATOM 635 HB3 PRO A 37 6.348 7.082 0.880 1.00 0.00 H -ATOM 636 HG2 PRO A 37 9.328 7.261 1.121 1.00 0.00 H -ATOM 637 HG3 PRO A 37 8.307 7.527 -0.305 1.00 0.00 H -ATOM 638 HD2 PRO A 37 9.260 9.583 1.190 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.675 9.633 0.373 1.00 0.00 H -ATOM 640 N ARG A 38 8.927 7.772 4.388 1.00 0.00 N -ATOM 641 CA ARG A 38 9.799 7.246 5.452 1.00 0.00 C -ATOM 642 C ARG A 38 9.172 7.305 6.858 1.00 0.00 C -ATOM 643 O ARG A 38 9.892 7.299 7.856 1.00 0.00 O -ATOM 644 CB ARG A 38 11.166 7.977 5.445 1.00 0.00 C -ATOM 645 CG ARG A 38 11.148 9.519 5.261 1.00 0.00 C -ATOM 646 CD ARG A 38 10.275 10.298 6.264 1.00 0.00 C -ATOM 647 NE ARG A 38 10.544 9.990 7.684 1.00 0.00 N -ATOM 648 CZ ARG A 38 10.419 10.860 8.690 1.00 0.00 C -ATOM 649 NH1 ARG A 38 10.386 12.177 8.442 1.00 0.00 N -ATOM 650 NH2 ARG A 38 10.362 10.422 9.943 1.00 0.00 N -ATOM 651 H ARG A 38 9.090 8.666 4.029 1.00 0.00 H -ATOM 652 HA ARG A 38 9.984 6.209 5.216 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.646 7.780 6.391 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.774 7.552 4.660 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.158 9.887 5.334 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.791 9.722 4.262 1.00 0.00 H -ATOM 657 HD2 ARG A 38 10.446 11.353 6.114 1.00 0.00 H -ATOM 658 HD3 ARG A 38 9.239 10.080 6.050 1.00 0.00 H -ATOM 659 HE ARG A 38 10.717 9.038 7.892 1.00 0.00 H -ATOM 660 HH11 ARG A 38 10.454 12.554 7.515 1.00 0.00 H -ATOM 661 HH12 ARG A 38 10.300 12.845 9.186 1.00 0.00 H -ATOM 662 HH21 ARG A 38 10.401 9.438 10.178 1.00 0.00 H -ATOM 663 HH22 ARG A 38 10.261 11.040 10.727 1.00 0.00 H -ATOM 664 N ILE A 39 7.875 7.294 6.936 1.00 0.00 N -ATOM 665 CA ILE A 39 7.189 7.471 8.197 1.00 0.00 C -ATOM 666 C ILE A 39 7.131 6.152 8.957 1.00 0.00 C -ATOM 667 O ILE A 39 6.305 5.277 8.675 1.00 0.00 O -ATOM 668 CB ILE A 39 5.772 8.072 7.968 1.00 0.00 C -ATOM 669 CG1 ILE A 39 5.936 9.437 7.288 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.003 8.214 9.287 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.648 10.100 6.841 1.00 0.00 C -ATOM 672 H ILE A 39 7.364 7.121 6.118 1.00 0.00 H -ATOM 673 HA ILE A 39 7.769 8.171 8.781 1.00 0.00 H -ATOM 674 HB ILE A 39 5.217 7.425 7.304 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.419 10.097 7.993 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.578 9.324 6.426 1.00 0.00 H -ATOM 677 HG21 ILE A 39 4.013 8.595 9.082 1.00 0.00 H -ATOM 678 HG22 ILE A 39 5.520 8.906 9.934 1.00 0.00 H -ATOM 679 HG23 ILE A 39 4.930 7.250 9.767 1.00 0.00 H -ATOM 680 HD11 ILE A 39 4.017 10.312 7.691 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.136 9.441 6.154 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.900 11.015 6.325 1.00 0.00 H -ATOM 683 N GLU A 40 8.034 6.026 9.919 1.00 0.00 N -ATOM 684 CA GLU A 40 8.204 4.821 10.720 1.00 0.00 C -ATOM 685 C GLU A 40 6.954 4.428 11.509 1.00 0.00 C -ATOM 686 O GLU A 40 6.804 3.272 11.895 1.00 0.00 O -ATOM 687 CB GLU A 40 9.434 4.902 11.650 1.00 0.00 C -ATOM 688 CG GLU A 40 9.547 6.175 12.484 1.00 0.00 C -ATOM 689 CD GLU A 40 10.237 7.303 11.756 1.00 0.00 C -ATOM 690 OE1 GLU A 40 9.585 8.017 10.988 1.00 0.00 O -ATOM 691 OE2 GLU A 40 11.461 7.493 11.951 1.00 0.00 O -ATOM 692 H GLU A 40 8.631 6.792 10.099 1.00 0.00 H -ATOM 693 HA GLU A 40 8.386 4.028 10.011 1.00 0.00 H -ATOM 694 HB2 GLU A 40 9.399 4.065 12.332 1.00 0.00 H -ATOM 695 HB3 GLU A 40 10.324 4.814 11.045 1.00 0.00 H -ATOM 696 HG2 GLU A 40 8.547 6.510 12.713 1.00 0.00 H -ATOM 697 HG3 GLU A 40 10.081 5.966 13.400 1.00 0.00 H -ATOM 698 N ALA A 41 6.056 5.368 11.724 1.00 0.00 N -ATOM 699 CA ALA A 41 4.812 5.091 12.440 1.00 0.00 C -ATOM 700 C ALA A 41 3.900 4.173 11.614 1.00 0.00 C -ATOM 701 O ALA A 41 3.049 3.457 12.152 1.00 0.00 O -ATOM 702 CB ALA A 41 4.100 6.389 12.771 1.00 0.00 C -ATOM 703 H ALA A 41 6.247 6.276 11.405 1.00 0.00 H -ATOM 704 HA ALA A 41 5.068 4.592 13.363 1.00 0.00 H -ATOM 705 HB1 ALA A 41 4.754 7.022 13.351 1.00 0.00 H -ATOM 706 HB2 ALA A 41 3.209 6.171 13.340 1.00 0.00 H -ATOM 707 HB3 ALA A 41 3.826 6.894 11.857 1.00 0.00 H -ATOM 708 N ASN A 42 4.112 4.169 10.316 1.00 0.00 N -ATOM 709 CA ASN A 42 3.302 3.369 9.404 1.00 0.00 C -ATOM 710 C ASN A 42 4.070 2.149 8.951 1.00 0.00 C -ATOM 711 O ASN A 42 3.552 1.328 8.210 1.00 0.00 O -ATOM 712 CB ASN A 42 2.921 4.188 8.157 1.00 0.00 C -ATOM 713 CG ASN A 42 2.059 5.398 8.446 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.256 5.403 9.370 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.222 6.437 7.659 1.00 0.00 N -ATOM 716 H ASN A 42 4.842 4.712 9.945 1.00 0.00 H -ATOM 717 HA ASN A 42 2.398 3.068 9.910 1.00 0.00 H -ATOM 718 HB2 ASN A 42 3.822 4.536 7.677 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.389 3.544 7.470 1.00 0.00 H -ATOM 720 HD21 ASN A 42 2.879 6.385 6.934 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.673 7.232 7.836 1.00 0.00 H -ATOM 722 N LYS A 43 5.294 2.028 9.411 1.00 0.00 N -ATOM 723 CA LYS A 43 6.186 1.041 8.961 1.00 0.00 C -ATOM 724 C LYS A 43 5.988 -0.278 9.686 1.00 0.00 C -ATOM 725 O LYS A 43 5.764 -0.317 10.905 1.00 0.00 O -ATOM 726 CB LYS A 43 7.577 1.580 9.162 1.00 0.00 C -ATOM 727 CG LYS A 43 8.628 0.849 8.428 1.00 0.00 C -ATOM 728 CD LYS A 43 9.910 1.667 8.387 1.00 0.00 C -ATOM 729 CE LYS A 43 10.899 1.104 7.390 1.00 0.00 C -ATOM 730 NZ LYS A 43 11.977 2.073 7.079 1.00 0.00 N -ATOM 731 H LYS A 43 5.675 2.604 10.100 1.00 0.00 H -ATOM 732 HA LYS A 43 6.041 0.900 7.901 1.00 0.00 H -ATOM 733 HB2 LYS A 43 7.583 2.604 8.823 1.00 0.00 H -ATOM 734 HB3 LYS A 43 7.802 1.547 10.218 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.759 -0.088 8.945 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.227 0.710 7.438 1.00 0.00 H -ATOM 737 HD2 LYS A 43 9.672 2.680 8.103 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.357 1.664 9.370 1.00 0.00 H -ATOM 739 HE2 LYS A 43 11.338 0.203 7.792 1.00 0.00 H -ATOM 740 HE3 LYS A 43 10.367 0.873 6.479 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 11.554 2.986 6.808 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 12.501 1.748 6.236 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.627 2.213 7.877 1.00 0.00 H -ATOM 744 N LEU A 44 6.059 -1.333 8.928 1.00 0.00 N -ATOM 745 CA LEU A 44 5.919 -2.673 9.432 1.00 0.00 C -ATOM 746 C LEU A 44 7.290 -3.207 9.791 1.00 0.00 C -ATOM 747 O LEU A 44 8.198 -3.239 8.948 1.00 0.00 O -ATOM 748 CB LEU A 44 5.281 -3.581 8.383 1.00 0.00 C -ATOM 749 CG LEU A 44 3.892 -3.202 7.868 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.428 -4.216 6.846 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.893 -3.121 8.998 1.00 0.00 C -ATOM 752 H LEU A 44 6.234 -1.189 7.969 1.00 0.00 H -ATOM 753 HA LEU A 44 5.293 -2.646 10.311 1.00 0.00 H -ATOM 754 HB2 LEU A 44 5.941 -3.594 7.529 1.00 0.00 H -ATOM 755 HB3 LEU A 44 5.230 -4.579 8.792 1.00 0.00 H -ATOM 756 HG LEU A 44 3.946 -2.237 7.384 1.00 0.00 H -ATOM 757 HD11 LEU A 44 2.445 -3.941 6.493 1.00 0.00 H -ATOM 758 HD12 LEU A 44 3.385 -5.194 7.303 1.00 0.00 H -ATOM 759 HD13 LEU A 44 4.117 -4.238 6.014 1.00 0.00 H -ATOM 760 HD21 LEU A 44 3.184 -2.347 9.692 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.850 -4.073 9.505 1.00 0.00 H -ATOM 762 HD23 LEU A 44 1.926 -2.890 8.576 1.00 0.00 H -ATOM 763 N ARG A 45 7.436 -3.633 11.004 1.00 0.00 N -ATOM 764 CA ARG A 45 8.703 -4.098 11.500 1.00 0.00 C -ATOM 765 C ARG A 45 8.871 -5.576 11.183 1.00 0.00 C -ATOM 766 O ARG A 45 8.061 -6.403 11.590 1.00 0.00 O -ATOM 767 CB ARG A 45 8.792 -3.833 13.000 1.00 0.00 C -ATOM 768 CG ARG A 45 10.102 -4.244 13.652 1.00 0.00 C -ATOM 769 CD ARG A 45 10.138 -3.784 15.096 1.00 0.00 C -ATOM 770 NE ARG A 45 10.069 -2.323 15.187 1.00 0.00 N -ATOM 771 CZ ARG A 45 9.327 -1.623 16.058 1.00 0.00 C -ATOM 772 NH1 ARG A 45 8.514 -2.248 16.914 1.00 0.00 N -ATOM 773 NH2 ARG A 45 9.377 -0.288 16.044 1.00 0.00 N -ATOM 774 H ARG A 45 6.642 -3.672 11.580 1.00 0.00 H -ATOM 775 HA ARG A 45 9.482 -3.541 10.999 1.00 0.00 H -ATOM 776 HB2 ARG A 45 8.658 -2.775 13.168 1.00 0.00 H -ATOM 777 HB3 ARG A 45 7.989 -4.367 13.488 1.00 0.00 H -ATOM 778 HG2 ARG A 45 10.195 -5.319 13.619 1.00 0.00 H -ATOM 779 HG3 ARG A 45 10.923 -3.791 13.116 1.00 0.00 H -ATOM 780 HD2 ARG A 45 9.301 -4.216 15.621 1.00 0.00 H -ATOM 781 HD3 ARG A 45 11.060 -4.118 15.548 1.00 0.00 H -ATOM 782 HE ARG A 45 10.632 -1.844 14.533 1.00 0.00 H -ATOM 783 HH11 ARG A 45 8.413 -3.245 16.953 1.00 0.00 H -ATOM 784 HH12 ARG A 45 7.960 -1.723 17.566 1.00 0.00 H -ATOM 785 HH21 ARG A 45 9.957 0.222 15.400 1.00 0.00 H -ATOM 786 HH22 ARG A 45 8.828 0.288 16.658 1.00 0.00 H -ATOM 787 N GLY A 46 9.904 -5.895 10.440 1.00 0.00 N -ATOM 788 CA GLY A 46 10.140 -7.273 10.041 1.00 0.00 C -ATOM 789 C GLY A 46 9.741 -7.476 8.602 1.00 0.00 C -ATOM 790 O GLY A 46 9.864 -8.572 8.040 1.00 0.00 O -ATOM 791 H GLY A 46 10.521 -5.190 10.141 1.00 0.00 H -ATOM 792 HA2 GLY A 46 11.187 -7.506 10.165 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.551 -7.929 10.663 1.00 0.00 H -ATOM 794 N MET A 47 9.258 -6.413 8.018 1.00 0.00 N -ATOM 795 CA MET A 47 8.837 -6.376 6.639 1.00 0.00 C -ATOM 796 C MET A 47 9.728 -5.373 5.935 1.00 0.00 C -ATOM 797 O MET A 47 9.915 -4.266 6.458 1.00 0.00 O -ATOM 798 CB MET A 47 7.379 -5.922 6.577 1.00 0.00 C -ATOM 799 CG MET A 47 6.412 -6.852 7.306 1.00 0.00 C -ATOM 800 SD MET A 47 6.138 -8.418 6.457 1.00 0.00 S -ATOM 801 CE MET A 47 5.111 -7.857 5.097 1.00 0.00 C -ATOM 802 H MET A 47 9.200 -5.583 8.538 1.00 0.00 H -ATOM 803 HA MET A 47 8.940 -7.361 6.208 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.329 -4.951 7.046 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.072 -5.826 5.545 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.810 -7.061 8.287 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.465 -6.343 7.408 1.00 0.00 H -ATOM 808 HE1 MET A 47 4.837 -8.703 4.483 1.00 0.00 H -ATOM 809 HE2 MET A 47 5.645 -7.140 4.492 1.00 0.00 H -ATOM 810 HE3 MET A 47 4.214 -7.400 5.489 1.00 0.00 H -ATOM 811 N PRO A 48 10.305 -5.728 4.771 1.00 0.00 N -ATOM 812 CA PRO A 48 11.257 -4.862 4.057 1.00 0.00 C -ATOM 813 C PRO A 48 10.633 -3.545 3.594 1.00 0.00 C -ATOM 814 O PRO A 48 9.944 -3.494 2.560 1.00 0.00 O -ATOM 815 CB PRO A 48 11.708 -5.705 2.858 1.00 0.00 C -ATOM 816 CG PRO A 48 10.634 -6.723 2.680 1.00 0.00 C -ATOM 817 CD PRO A 48 10.071 -6.993 4.048 1.00 0.00 C -ATOM 818 HA PRO A 48 12.107 -4.638 4.684 1.00 0.00 H -ATOM 819 HB2 PRO A 48 11.806 -5.070 1.989 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.658 -6.166 3.079 1.00 0.00 H -ATOM 821 HG2 PRO A 48 9.867 -6.326 2.032 1.00 0.00 H -ATOM 822 HG3 PRO A 48 11.050 -7.628 2.260 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.015 -7.210 3.987 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.598 -7.810 4.517 1.00 0.00 H -ATOM 825 N ASP A 49 10.803 -2.517 4.440 1.00 0.00 N -ATOM 826 CA ASP A 49 10.326 -1.149 4.212 1.00 0.00 C -ATOM 827 C ASP A 49 8.917 -1.083 3.714 1.00 0.00 C -ATOM 828 O ASP A 49 8.608 -0.430 2.712 1.00 0.00 O -ATOM 829 CB ASP A 49 11.307 -0.292 3.398 1.00 0.00 C -ATOM 830 CG ASP A 49 12.429 0.236 4.268 1.00 0.00 C -ATOM 831 OD1 ASP A 49 13.187 -0.564 4.854 1.00 0.00 O -ATOM 832 OD2 ASP A 49 12.530 1.469 4.453 1.00 0.00 O -ATOM 833 H ASP A 49 11.277 -2.722 5.275 1.00 0.00 H -ATOM 834 HA ASP A 49 10.268 -0.719 5.201 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.733 -0.891 2.607 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.780 0.548 2.970 1.00 0.00 H -ATOM 837 N CYS A 50 8.064 -1.784 4.413 1.00 0.00 N -ATOM 838 CA CYS A 50 6.679 -1.810 4.099 1.00 0.00 C -ATOM 839 C CYS A 50 5.959 -0.872 5.038 1.00 0.00 C -ATOM 840 O CYS A 50 6.317 -0.770 6.219 1.00 0.00 O -ATOM 841 CB CYS A 50 6.146 -3.229 4.237 1.00 0.00 C -ATOM 842 SG CYS A 50 7.051 -4.449 3.253 1.00 0.00 S -ATOM 843 H CYS A 50 8.387 -2.304 5.178 1.00 0.00 H -ATOM 844 HA CYS A 50 6.547 -1.479 3.082 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.208 -3.529 5.273 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.113 -3.251 3.923 1.00 0.00 H -ATOM 847 HG CYS A 50 8.180 -3.879 2.840 1.00 0.00 H -ATOM 848 N TYR A 51 4.985 -0.187 4.527 1.00 0.00 N -ATOM 849 CA TYR A 51 4.225 0.776 5.282 1.00 0.00 C -ATOM 850 C TYR A 51 2.762 0.530 5.007 1.00 0.00 C -ATOM 851 O TYR A 51 2.411 -0.032 3.953 1.00 0.00 O -ATOM 852 CB TYR A 51 4.596 2.220 4.880 1.00 0.00 C -ATOM 853 CG TYR A 51 6.068 2.594 5.034 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.003 2.226 4.077 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.515 3.314 6.127 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.334 2.559 4.205 1.00 0.00 C -ATOM 857 CE2 TYR A 51 7.852 3.654 6.259 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.755 3.271 5.292 1.00 0.00 C -ATOM 859 OH TYR A 51 10.093 3.600 5.419 1.00 0.00 O -ATOM 860 H TYR A 51 4.732 -0.340 3.587 1.00 0.00 H -ATOM 861 HA TYR A 51 4.424 0.630 6.334 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.334 2.368 3.842 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.014 2.906 5.478 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.671 1.664 3.216 1.00 0.00 H -ATOM 865 HD2 TYR A 51 5.808 3.612 6.886 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.040 2.257 3.446 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.181 4.217 7.120 1.00 0.00 H -ATOM 868 HH TYR A 51 10.408 3.898 4.555 1.00 0.00 H -ATOM 869 N LYS A 52 1.920 0.918 5.922 1.00 0.00 N -ATOM 870 CA LYS A 52 0.506 0.695 5.786 1.00 0.00 C -ATOM 871 C LYS A 52 -0.305 1.971 5.938 1.00 0.00 C -ATOM 872 O LYS A 52 0.060 2.896 6.683 1.00 0.00 O -ATOM 873 CB LYS A 52 0.014 -0.362 6.786 1.00 0.00 C -ATOM 874 CG LYS A 52 0.386 -0.066 8.232 1.00 0.00 C -ATOM 875 CD LYS A 52 -0.240 -1.061 9.188 1.00 0.00 C -ATOM 876 CE LYS A 52 0.316 -0.891 10.588 1.00 0.00 C -ATOM 877 NZ LYS A 52 -0.316 -1.805 11.549 1.00 0.00 N -ATOM 878 H LYS A 52 2.261 1.366 6.727 1.00 0.00 H -ATOM 879 HA LYS A 52 0.338 0.306 4.792 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -1.063 -0.426 6.721 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.441 -1.318 6.517 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.460 -0.117 8.333 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.046 0.929 8.482 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -1.308 -0.892 9.214 1.00 0.00 H -ATOM 885 HD3 LYS A 52 -0.041 -2.066 8.846 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.378 -1.087 10.566 1.00 0.00 H -ATOM 887 HE3 LYS A 52 0.149 0.128 10.904 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 -0.390 -2.773 11.167 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 -1.273 -1.488 11.802 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 0.233 -1.861 12.430 1.00 0.00 H -ATOM 891 N ILE A 53 -1.386 2.007 5.222 1.00 0.00 N -ATOM 892 CA ILE A 53 -2.359 3.061 5.296 1.00 0.00 C -ATOM 893 C ILE A 53 -3.573 2.479 5.956 1.00 0.00 C -ATOM 894 O ILE A 53 -3.893 1.320 5.712 1.00 0.00 O -ATOM 895 CB ILE A 53 -2.745 3.577 3.888 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -1.514 4.122 3.179 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -3.839 4.648 3.971 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -1.765 4.558 1.759 1.00 0.00 C -ATOM 899 H ILE A 53 -1.538 1.266 4.593 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.965 3.870 5.890 1.00 0.00 H -ATOM 901 HB ILE A 53 -3.134 2.746 3.321 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -1.137 4.973 3.727 1.00 0.00 H -ATOM 903 HG13 ILE A 53 -0.767 3.342 3.170 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -3.487 5.476 4.568 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -4.721 4.230 4.435 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -4.082 4.996 2.977 1.00 0.00 H -ATOM 907 HD11 ILE A 53 -2.063 3.703 1.170 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -0.870 4.998 1.345 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -2.559 5.288 1.748 1.00 0.00 H -ATOM 910 N LYS A 54 -4.222 3.237 6.792 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.375 2.755 7.480 1.00 0.00 C -ATOM 912 C LYS A 54 -6.464 3.801 7.474 1.00 0.00 C -ATOM 913 O LYS A 54 -6.184 4.995 7.616 1.00 0.00 O -ATOM 914 CB LYS A 54 -5.050 2.301 8.925 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.547 3.388 9.872 1.00 0.00 C -ATOM 916 CD LYS A 54 -3.105 3.795 9.624 1.00 0.00 C -ATOM 917 CE LYS A 54 -2.755 4.933 10.537 1.00 0.00 C -ATOM 918 NZ LYS A 54 -1.357 5.388 10.399 1.00 0.00 N -ATOM 919 H LYS A 54 -3.952 4.169 6.936 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.725 1.900 6.929 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.941 1.873 9.357 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.298 1.527 8.873 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -5.168 4.262 9.744 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -4.644 3.040 10.889 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -2.458 2.956 9.829 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -2.992 4.108 8.597 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -3.428 5.730 10.260 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -2.960 4.616 11.547 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -1.125 5.723 9.442 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -0.661 4.666 10.672 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -1.195 6.187 11.046 1.00 0.00 H -ATOM 932 N LEU A 55 -7.685 3.383 7.258 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.798 4.294 7.322 1.00 0.00 C -ATOM 934 C LEU A 55 -9.206 4.553 8.747 1.00 0.00 C -ATOM 935 O LEU A 55 -8.838 3.818 9.649 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.995 3.820 6.497 1.00 0.00 C -ATOM 937 CG LEU A 55 -10.003 4.196 5.019 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -11.282 3.736 4.363 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -9.886 5.683 4.883 1.00 0.00 C -ATOM 940 H LEU A 55 -7.841 2.435 7.047 1.00 0.00 H -ATOM 941 HA LEU A 55 -8.449 5.231 6.919 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -10.035 2.743 6.567 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -10.885 4.218 6.957 1.00 0.00 H -ATOM 944 HG LEU A 55 -9.174 3.746 4.492 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -11.353 2.659 4.405 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -11.295 4.082 3.339 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -12.115 4.176 4.892 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -8.919 6.018 5.224 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -10.659 6.122 5.495 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -10.034 5.949 3.850 1.00 0.00 H -ATOM 951 N ARG A 56 -9.937 5.611 8.958 1.00 0.00 N -ATOM 952 CA ARG A 56 -10.394 5.925 10.288 1.00 0.00 C -ATOM 953 C ARG A 56 -11.836 5.456 10.434 1.00 0.00 C -ATOM 954 O ARG A 56 -12.217 4.859 11.440 1.00 0.00 O -ATOM 955 CB ARG A 56 -10.320 7.436 10.556 1.00 0.00 C -ATOM 956 CG ARG A 56 -8.976 8.105 10.272 1.00 0.00 C -ATOM 957 CD ARG A 56 -7.825 7.469 11.030 1.00 0.00 C -ATOM 958 NE ARG A 56 -6.609 8.296 10.943 1.00 0.00 N -ATOM 959 CZ ARG A 56 -5.499 7.997 10.251 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -5.472 6.951 9.439 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -4.434 8.781 10.340 1.00 0.00 N -ATOM 962 H ARG A 56 -10.175 6.201 8.212 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.772 5.402 10.998 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -11.068 7.931 9.956 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -10.560 7.602 11.596 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -8.767 8.032 9.214 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -9.041 9.148 10.546 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -8.107 7.357 12.066 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -7.620 6.498 10.606 1.00 0.00 H -ATOM 970 HE ARG A 56 -6.640 9.114 11.491 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -6.245 6.328 9.296 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -4.664 6.730 8.887 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -4.446 9.606 10.914 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -3.566 8.587 9.874 1.00 0.00 H -ATOM 975 N SER A 57 -12.609 5.678 9.384 1.00 0.00 N -ATOM 976 CA SER A 57 -14.029 5.377 9.358 1.00 0.00 C -ATOM 977 C SER A 57 -14.288 3.939 8.888 1.00 0.00 C -ATOM 978 O SER A 57 -15.437 3.497 8.785 1.00 0.00 O -ATOM 979 CB SER A 57 -14.733 6.389 8.437 1.00 0.00 C -ATOM 980 OG SER A 57 -16.144 6.251 8.448 1.00 0.00 O -ATOM 981 H SER A 57 -12.214 6.093 8.589 1.00 0.00 H -ATOM 982 HA SER A 57 -14.414 5.498 10.357 1.00 0.00 H -ATOM 983 HB2 SER A 57 -14.488 7.390 8.760 1.00 0.00 H -ATOM 984 HB3 SER A 57 -14.379 6.249 7.427 1.00 0.00 H -ATOM 985 HG SER A 57 -16.379 5.377 8.790 1.00 0.00 H -ATOM 986 N SER A 58 -13.238 3.228 8.598 1.00 0.00 N -ATOM 987 CA SER A 58 -13.327 1.865 8.155 1.00 0.00 C -ATOM 988 C SER A 58 -12.037 1.187 8.567 1.00 0.00 C -ATOM 989 O SER A 58 -11.065 1.876 8.868 1.00 0.00 O -ATOM 990 CB SER A 58 -13.501 1.813 6.624 1.00 0.00 C -ATOM 991 OG SER A 58 -14.609 2.606 6.192 1.00 0.00 O -ATOM 992 H SER A 58 -12.339 3.600 8.716 1.00 0.00 H -ATOM 993 HA SER A 58 -14.166 1.392 8.642 1.00 0.00 H -ATOM 994 HB2 SER A 58 -12.604 2.183 6.150 1.00 0.00 H -ATOM 995 HB3 SER A 58 -13.670 0.789 6.326 1.00 0.00 H -ATOM 996 HG SER A 58 -15.197 2.733 6.953 1.00 0.00 H -ATOM 997 N GLY A 59 -12.008 -0.117 8.568 1.00 0.00 N -ATOM 998 CA GLY A 59 -10.822 -0.828 8.965 1.00 0.00 C -ATOM 999 C GLY A 59 -10.005 -1.272 7.778 1.00 0.00 C -ATOM 1000 O GLY A 59 -9.292 -2.288 7.840 1.00 0.00 O -ATOM 1001 H GLY A 59 -12.800 -0.640 8.306 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.220 -0.185 9.589 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.111 -1.698 9.536 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.080 -0.513 6.708 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.373 -0.849 5.507 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.947 -0.383 5.574 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.657 0.724 6.051 1.00 0.00 O -ATOM 1008 CB TYR A 60 -10.087 -0.338 4.251 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.230 -1.232 3.793 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.426 -1.305 4.495 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.093 -2.020 2.655 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.450 -2.136 4.074 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.108 -2.852 2.230 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.282 -2.907 2.939 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.298 -3.742 2.516 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.582 0.328 6.742 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.353 -1.927 5.469 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.496 0.641 4.458 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.373 -0.260 3.445 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.550 -0.698 5.380 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.170 -1.978 2.097 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.374 -2.180 4.632 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -11.977 -3.455 1.344 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.111 -3.228 2.573 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.071 -1.244 5.140 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.654 -1.015 5.146 1.00 0.00 C -ATOM 1027 C ARG A 61 -5.082 -1.280 3.782 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.588 -2.120 3.025 1.00 0.00 O -ATOM 1029 CB ARG A 61 -4.905 -1.901 6.167 1.00 0.00 C -ATOM 1030 CG ARG A 61 -4.828 -1.399 7.615 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.172 -1.305 8.299 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.017 -1.047 9.732 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -6.848 -1.476 10.687 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -7.970 -2.126 10.367 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -6.566 -1.238 11.960 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.396 -2.080 4.730 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.486 0.021 5.404 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.389 -2.867 6.192 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -3.896 -2.041 5.805 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.207 -2.075 8.183 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -4.365 -0.423 7.612 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -6.733 -0.496 7.854 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.706 -2.234 8.162 1.00 0.00 H -ATOM 1044 HE ARG A 61 -5.213 -0.536 9.977 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -8.230 -2.309 9.415 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -8.602 -2.454 11.075 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -5.748 -0.739 12.256 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -7.162 -1.569 12.695 1.00 0.00 H -ATOM 1049 N LEU A 62 -4.050 -0.579 3.478 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.328 -0.745 2.256 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.868 -0.872 2.638 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.351 -0.023 3.355 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.605 0.468 1.326 1.00 0.00 C -ATOM 1054 CG LEU A 62 -3.020 0.446 -0.103 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.717 1.484 -0.958 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.541 0.755 -0.099 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.744 0.098 4.123 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.660 -1.659 1.786 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.676 0.575 1.237 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.229 1.350 1.822 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.173 -0.532 -0.536 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -4.768 1.247 -1.019 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.282 1.478 -1.946 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.589 2.460 -0.515 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.396 1.735 0.330 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.173 0.749 -1.113 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.014 0.020 0.490 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.228 -1.931 2.211 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.151 -2.183 2.572 1.00 0.00 C -ATOM 1070 C VAL A 63 1.016 -2.122 1.321 1.00 0.00 C -ATOM 1071 O VAL A 63 0.722 -2.786 0.310 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.321 -3.568 3.271 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.754 -3.775 3.747 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.641 -3.704 4.443 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.673 -2.562 1.600 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.462 -1.403 3.251 1.00 0.00 H -ATOM 1077 HB VAL A 63 0.090 -4.339 2.552 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.437 -3.705 2.912 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 1.837 -4.747 4.208 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 2.004 -3.027 4.486 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.438 -2.927 5.165 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.515 -4.670 4.909 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -1.656 -3.604 4.088 1.00 0.00 H -ATOM 1084 N TYR A 64 2.050 -1.334 1.380 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.935 -1.140 0.258 1.00 0.00 C -ATOM 1086 C TYR A 64 4.377 -1.178 0.715 1.00 0.00 C -ATOM 1087 O TYR A 64 4.654 -0.976 1.896 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.633 0.206 -0.445 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.719 1.442 0.442 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 3.941 1.960 0.863 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.576 2.090 0.846 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.003 3.076 1.657 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.633 3.205 1.641 1.00 0.00 C -ATOM 1094 CZ TYR A 64 2.845 3.693 2.044 1.00 0.00 C -ATOM 1095 OH TYR A 64 2.899 4.798 2.848 1.00 0.00 O -ATOM 1096 H TYR A 64 2.253 -0.869 2.223 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.760 -1.940 -0.447 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.318 0.349 -1.268 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.628 0.160 -0.840 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.853 1.469 0.555 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.620 1.703 0.530 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 4.961 3.462 1.974 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.721 3.700 1.937 1.00 0.00 H -ATOM 1104 HH TYR A 64 3.598 5.371 2.522 1.00 0.00 H -ATOM 1105 N GLN A 65 5.273 -1.446 -0.190 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.679 -1.400 0.117 1.00 0.00 C -ATOM 1107 C GLN A 65 7.315 -0.266 -0.635 1.00 0.00 C -ATOM 1108 O GLN A 65 6.970 0.003 -1.794 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.405 -2.721 -0.196 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.322 -3.171 -1.654 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.093 -4.451 -1.941 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.719 -5.227 -2.823 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.180 -4.676 -1.233 1.00 0.00 N -ATOM 1114 H GLN A 65 4.985 -1.661 -1.107 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.773 -1.186 1.170 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.448 -2.585 0.047 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 7.003 -3.496 0.436 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.286 -3.335 -1.908 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.716 -2.383 -2.279 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.462 -4.026 -0.557 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.674 -5.503 -1.420 1.00 0.00 H -ATOM 1122 N VAL A 66 8.195 0.419 0.009 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.909 1.478 -0.622 1.00 0.00 C -ATOM 1124 C VAL A 66 10.196 0.916 -1.163 1.00 0.00 C -ATOM 1125 O VAL A 66 11.071 0.495 -0.405 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.194 2.639 0.366 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 10.077 3.707 -0.268 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.888 3.259 0.823 1.00 0.00 C -ATOM 1129 H VAL A 66 8.393 0.191 0.946 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.310 1.848 -1.442 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.698 2.240 1.233 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 11.015 3.256 -0.557 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 10.262 4.483 0.461 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.588 4.123 -1.135 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 8.098 4.029 1.550 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.264 2.497 1.268 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 7.375 3.693 -0.023 1.00 0.00 H -ATOM 1138 N ILE A 67 10.303 0.864 -2.454 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.485 0.363 -3.059 1.00 0.00 C -ATOM 1140 C ILE A 67 12.308 1.566 -3.445 1.00 0.00 C -ATOM 1141 O ILE A 67 12.098 2.174 -4.493 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.169 -0.506 -4.310 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.086 -1.546 -3.970 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.434 -1.216 -4.781 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.602 -2.352 -5.158 1.00 0.00 C -ATOM 1146 H ILE A 67 9.586 1.189 -3.044 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.017 -0.226 -2.328 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.808 0.134 -5.102 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.481 -2.239 -3.242 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.237 -1.033 -3.542 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 12.795 -1.864 -3.997 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 13.191 -0.484 -5.017 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 12.210 -1.801 -5.659 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 10.437 -2.863 -5.613 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.145 -1.689 -5.879 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 8.874 -3.077 -4.826 1.00 0.00 H -ATOM 1157 N ASP A 68 13.219 1.922 -2.582 1.00 0.00 N -ATOM 1158 CA ASP A 68 14.022 3.109 -2.723 1.00 0.00 C -ATOM 1159 C ASP A 68 15.039 2.948 -3.825 1.00 0.00 C -ATOM 1160 O ASP A 68 15.377 3.908 -4.518 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.696 3.469 -1.385 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.710 2.446 -0.884 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 15.337 1.282 -0.644 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 16.888 2.810 -0.675 1.00 0.00 O -ATOM 1165 H ASP A 68 13.398 1.358 -1.796 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.358 3.916 -2.994 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 15.214 4.403 -1.515 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 13.930 3.590 -0.633 1.00 0.00 H -ATOM 1169 N GLU A 69 15.481 1.729 -4.021 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.444 1.416 -5.053 1.00 0.00 C -ATOM 1171 C GLU A 69 15.825 1.551 -6.442 1.00 0.00 C -ATOM 1172 O GLU A 69 16.491 1.944 -7.388 1.00 0.00 O -ATOM 1173 CB GLU A 69 17.028 0.029 -4.839 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.760 -0.114 -3.516 1.00 0.00 C -ATOM 1175 CD GLU A 69 18.354 -1.480 -3.311 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 17.670 -2.370 -2.756 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 19.540 -1.683 -3.682 1.00 0.00 O -ATOM 1178 H GLU A 69 15.156 1.014 -3.431 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.237 2.144 -4.970 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 16.225 -0.693 -4.864 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.723 -0.185 -5.638 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 18.560 0.610 -3.490 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 17.069 0.093 -2.711 1.00 0.00 H -ATOM 1184 N LYS A 70 14.540 1.259 -6.549 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.849 1.368 -7.833 1.00 0.00 C -ATOM 1186 C LYS A 70 13.052 2.662 -7.925 1.00 0.00 C -ATOM 1187 O LYS A 70 12.458 2.962 -8.960 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.948 0.157 -8.100 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.695 -1.157 -8.234 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.748 -2.310 -8.528 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.505 -3.616 -8.714 1.00 0.00 C -ATOM 1192 NZ LYS A 70 12.599 -4.740 -9.041 1.00 0.00 N -ATOM 1193 H LYS A 70 14.058 0.968 -5.748 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.617 1.404 -8.591 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.254 0.061 -7.280 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.394 0.330 -9.012 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.414 -1.076 -9.035 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.210 -1.353 -7.305 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 12.063 -2.420 -7.701 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.189 -2.092 -9.425 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 14.219 -3.496 -9.516 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 14.033 -3.846 -7.801 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 12.082 -4.564 -9.925 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 11.905 -4.886 -8.281 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 13.156 -5.611 -9.158 1.00 0.00 H -ATOM 1206 N VAL A 71 13.060 3.425 -6.825 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.385 4.737 -6.720 1.00 0.00 C -ATOM 1208 C VAL A 71 10.834 4.566 -6.860 1.00 0.00 C -ATOM 1209 O VAL A 71 10.092 5.498 -7.171 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.968 5.765 -7.785 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 12.447 7.186 -7.575 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.495 5.774 -7.753 1.00 0.00 C -ATOM 1213 H VAL A 71 13.538 3.089 -6.041 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.594 5.101 -5.724 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.657 5.434 -8.765 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 12.728 7.530 -6.590 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 11.370 7.188 -7.666 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.874 7.841 -8.321 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.868 4.785 -7.976 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.829 6.068 -6.768 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.868 6.475 -8.485 1.00 0.00 H -ATOM 1222 N VAL A 72 10.347 3.398 -6.536 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.939 3.120 -6.695 1.00 0.00 C -ATOM 1224 C VAL A 72 8.348 2.514 -5.427 1.00 0.00 C -ATOM 1225 O VAL A 72 8.979 1.717 -4.742 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.659 2.205 -7.948 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.358 0.862 -7.838 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.162 2.008 -8.193 1.00 0.00 C -ATOM 1229 H VAL A 72 10.933 2.717 -6.141 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.446 4.068 -6.857 1.00 0.00 H -ATOM 1231 HB VAL A 72 9.077 2.708 -8.809 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 10.422 1.023 -7.775 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 9.131 0.273 -8.715 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 9.012 0.348 -6.953 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.718 1.546 -7.324 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 7.018 1.366 -9.049 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.685 2.959 -8.374 1.00 0.00 H -ATOM 1238 N VAL A 73 7.182 2.951 -5.098 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.426 2.439 -4.011 1.00 0.00 C -ATOM 1240 C VAL A 73 5.434 1.446 -4.590 1.00 0.00 C -ATOM 1241 O VAL A 73 4.583 1.804 -5.413 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.687 3.573 -3.266 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.867 3.022 -2.130 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.676 4.601 -2.745 1.00 0.00 C -ATOM 1245 H VAL A 73 6.771 3.668 -5.628 1.00 0.00 H -ATOM 1246 HA VAL A 73 7.096 1.928 -3.333 1.00 0.00 H -ATOM 1247 HB VAL A 73 5.025 4.066 -3.961 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 4.138 2.326 -2.516 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 4.358 3.829 -1.624 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 5.516 2.510 -1.435 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 6.148 5.376 -2.210 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 7.206 5.037 -3.579 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 7.383 4.120 -2.087 1.00 0.00 H -ATOM 1254 N PHE A 74 5.566 0.226 -4.192 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.804 -0.850 -4.753 1.00 0.00 C -ATOM 1256 C PHE A 74 3.751 -1.325 -3.763 1.00 0.00 C -ATOM 1257 O PHE A 74 4.086 -1.810 -2.679 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.776 -1.984 -5.112 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.172 -3.175 -5.795 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.959 -3.167 -7.162 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 4.849 -4.315 -5.077 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.435 -4.269 -7.800 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.319 -5.417 -5.708 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.114 -5.394 -7.073 1.00 0.00 C -ATOM 1265 H PHE A 74 6.194 0.034 -3.457 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.330 -0.507 -5.659 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.536 -1.591 -5.771 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.254 -2.323 -4.205 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 5.208 -2.282 -7.730 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.011 -4.331 -4.009 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.274 -4.252 -8.868 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.068 -6.298 -5.136 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.701 -6.260 -7.570 1.00 0.00 H -ATOM 1274 N VAL A 75 2.493 -1.137 -4.111 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.391 -1.616 -3.302 1.00 0.00 C -ATOM 1276 C VAL A 75 1.321 -3.120 -3.418 1.00 0.00 C -ATOM 1277 O VAL A 75 1.172 -3.668 -4.519 1.00 0.00 O -ATOM 1278 CB VAL A 75 0.036 -0.978 -3.714 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.128 -1.546 -2.893 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.104 0.539 -3.580 1.00 0.00 C -ATOM 1281 H VAL A 75 2.307 -0.654 -4.948 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.610 -1.364 -2.275 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.151 -1.217 -4.748 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -0.942 -1.390 -1.841 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -1.222 -2.604 -3.089 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -2.048 -1.053 -3.173 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 -0.857 0.964 -3.830 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 0.851 0.920 -4.261 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.373 0.808 -2.570 1.00 0.00 H -ATOM 1290 N ILE A 76 1.425 -3.767 -2.295 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.511 -5.200 -2.244 1.00 0.00 C -ATOM 1292 C ILE A 76 0.145 -5.802 -1.998 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.243 -6.790 -2.616 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.421 -5.614 -1.068 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.767 -4.910 -1.156 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.619 -7.122 -1.045 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.628 -5.135 0.052 1.00 0.00 C -ATOM 1298 H ILE A 76 1.437 -3.265 -1.450 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.948 -5.579 -3.155 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.937 -5.322 -0.147 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.301 -5.283 -2.018 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.610 -3.848 -1.267 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 3.238 -7.392 -0.202 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 3.103 -7.432 -1.960 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 1.659 -7.611 -0.962 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 5.587 -4.667 -0.103 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.757 -6.198 0.193 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 4.156 -4.715 0.927 1.00 0.00 H -ATOM 1309 N SER A 77 -0.590 -5.206 -1.098 1.00 0.00 N -ATOM 1310 CA SER A 77 -1.865 -5.737 -0.706 1.00 0.00 C -ATOM 1311 C SER A 77 -2.784 -4.618 -0.277 1.00 0.00 C -ATOM 1312 O SER A 77 -2.323 -3.575 0.209 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.667 -6.737 0.442 1.00 0.00 C -ATOM 1314 OG SER A 77 -0.768 -7.766 0.056 1.00 0.00 O -ATOM 1315 H SER A 77 -0.285 -4.374 -0.673 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.295 -6.260 -1.546 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.261 -6.222 1.300 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.617 -7.181 0.702 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.590 -7.663 -0.888 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.062 -4.816 -0.469 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.044 -3.842 -0.103 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.335 -4.563 0.308 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.727 -5.572 -0.314 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.282 -2.813 -1.263 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.842 -3.464 -2.520 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.146 -1.651 -0.815 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.392 -5.650 -0.866 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.663 -3.318 0.762 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.311 -2.422 -1.529 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -6.788 -3.931 -2.287 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.151 -4.212 -2.881 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -5.989 -2.715 -3.283 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.654 -1.142 0.001 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -7.110 -2.014 -0.493 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.264 -0.965 -1.641 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.935 -4.113 1.374 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.142 -4.718 1.861 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.397 -4.344 3.293 1.00 0.00 C -ATOM 1339 O GLY A 79 -8.298 -3.182 3.647 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.558 -3.349 1.872 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.966 -4.368 1.257 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.078 -5.791 1.779 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.670 -5.306 4.126 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.012 -5.027 5.509 1.00 0.00 C -ATOM 1345 C LYS A 80 -7.948 -5.549 6.446 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.096 -6.349 6.060 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.335 -5.694 5.891 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.500 -5.400 4.965 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.814 -5.963 5.508 1.00 0.00 C -ATOM 1350 CE LYS A 80 -12.750 -7.467 5.806 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -12.412 -8.282 4.617 1.00 0.00 N -ATOM 1352 H LYS A 80 -8.611 -6.245 3.817 1.00 0.00 H -ATOM 1353 HA LYS A 80 -9.118 -3.961 5.637 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.181 -6.762 5.894 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.608 -5.382 6.888 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.596 -4.331 4.855 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.300 -5.844 4.001 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -13.057 -5.445 6.425 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.594 -5.781 4.783 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -11.997 -7.633 6.562 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -13.711 -7.778 6.190 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -12.601 -9.282 4.819 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -11.389 -8.247 4.397 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -12.964 -7.999 3.784 1.00 0.00 H -ATOM 1365 N ALA A 81 -8.005 -5.112 7.667 1.00 0.00 N -ATOM 1366 CA ALA A 81 -7.157 -5.644 8.686 1.00 0.00 C -ATOM 1367 C ALA A 81 -8.009 -6.022 9.855 1.00 0.00 C -ATOM 1368 O ALA A 81 -8.067 -5.332 10.871 1.00 0.00 O -ATOM 1369 CB ALA A 81 -6.031 -4.708 9.084 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.662 -4.419 7.902 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.736 -6.556 8.286 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -6.450 -3.813 9.519 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -5.446 -4.450 8.214 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -5.402 -5.199 9.813 1.00 0.00 H -ATOM 1375 N GLU A 82 -8.761 -7.059 9.645 1.00 0.00 N -ATOM 1376 CA GLU A 82 -9.643 -7.607 10.642 1.00 0.00 C -ATOM 1377 C GLU A 82 -8.833 -8.335 11.699 1.00 0.00 C -ATOM 1378 O GLU A 82 -9.090 -8.230 12.896 1.00 0.00 O -ATOM 1379 CB GLU A 82 -10.732 -8.497 9.978 1.00 0.00 C -ATOM 1380 CG GLU A 82 -10.329 -9.183 8.641 1.00 0.00 C -ATOM 1381 CD GLU A 82 -9.157 -10.133 8.743 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -7.993 -9.670 8.698 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -9.377 -11.344 8.881 1.00 0.00 O -ATOM 1384 H GLU A 82 -8.705 -7.507 8.775 1.00 0.00 H -ATOM 1385 HA GLU A 82 -10.124 -6.767 11.123 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -11.011 -9.272 10.674 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -11.600 -7.882 9.787 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -11.175 -9.749 8.281 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -10.093 -8.417 7.917 1.00 0.00 H -ATOM 1390 N ALA A 83 -7.846 -9.024 11.237 1.00 0.00 N -ATOM 1391 CA ALA A 83 -6.903 -9.702 12.042 1.00 0.00 C -ATOM 1392 C ALA A 83 -5.562 -9.619 11.346 1.00 0.00 C -ATOM 1393 O ALA A 83 -4.673 -8.901 11.795 1.00 0.00 O -ATOM 1394 CB ALA A 83 -7.318 -11.151 12.267 1.00 0.00 C -ATOM 1395 H ALA A 83 -7.754 -9.097 10.256 1.00 0.00 H -ATOM 1396 HA ALA A 83 -6.843 -9.197 12.995 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -7.390 -11.657 11.315 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -8.278 -11.178 12.762 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -6.583 -11.647 12.883 1.00 0.00 H -ATOM 1400 N SER A 84 -5.444 -10.278 10.198 1.00 0.00 N -ATOM 1401 CA SER A 84 -4.180 -10.317 9.484 1.00 0.00 C -ATOM 1402 C SER A 84 -4.384 -10.477 7.957 1.00 0.00 C -ATOM 1403 O SER A 84 -3.460 -10.912 7.264 1.00 0.00 O -ATOM 1404 CB SER A 84 -3.319 -11.489 10.019 1.00 0.00 C -ATOM 1405 OG SER A 84 -3.117 -11.406 11.435 1.00 0.00 O -ATOM 1406 H SER A 84 -6.219 -10.745 9.815 1.00 0.00 H -ATOM 1407 HA SER A 84 -3.655 -9.396 9.685 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -3.811 -12.425 9.805 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -2.355 -11.475 9.531 1.00 0.00 H -ATOM 1410 HG SER A 84 -2.752 -12.254 11.715 1.00 0.00 H -ATOM 1411 N GLU A 85 -5.542 -10.029 7.424 1.00 0.00 N -ATOM 1412 CA GLU A 85 -5.882 -10.216 5.987 1.00 0.00 C -ATOM 1413 C GLU A 85 -4.811 -9.630 5.057 1.00 0.00 C -ATOM 1414 O GLU A 85 -4.300 -10.324 4.169 1.00 0.00 O -ATOM 1415 CB GLU A 85 -7.219 -9.530 5.661 1.00 0.00 C -ATOM 1416 CG GLU A 85 -7.644 -9.665 4.207 1.00 0.00 C -ATOM 1417 CD GLU A 85 -8.811 -8.789 3.836 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -9.951 -9.087 4.221 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -8.620 -7.811 3.096 1.00 0.00 O -ATOM 1420 H GLU A 85 -6.228 -9.613 7.998 1.00 0.00 H -ATOM 1421 HA GLU A 85 -5.984 -11.275 5.792 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -7.993 -9.952 6.284 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -7.128 -8.477 5.887 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -6.808 -9.394 3.579 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -7.909 -10.695 4.020 1.00 0.00 H -ATOM 1426 N VAL A 86 -4.459 -8.379 5.278 1.00 0.00 N -ATOM 1427 CA VAL A 86 -3.464 -7.720 4.440 1.00 0.00 C -ATOM 1428 C VAL A 86 -2.042 -8.046 4.858 1.00 0.00 C -ATOM 1429 O VAL A 86 -1.106 -7.750 4.143 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.654 -6.182 4.384 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -4.941 -5.832 3.667 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -3.645 -5.575 5.784 1.00 0.00 C -ATOM 1433 H VAL A 86 -4.910 -7.878 5.990 1.00 0.00 H -ATOM 1434 HA VAL A 86 -3.604 -8.106 3.440 1.00 0.00 H -ATOM 1435 HB VAL A 86 -2.831 -5.762 3.823 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -5.776 -6.271 4.192 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -4.910 -6.215 2.657 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -5.059 -4.758 3.641 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -4.457 -5.992 6.363 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -3.762 -4.503 5.719 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -2.707 -5.804 6.268 1.00 0.00 H -ATOM 1442 N TYR A 87 -1.887 -8.681 5.994 1.00 0.00 N -ATOM 1443 CA TYR A 87 -0.559 -8.978 6.502 1.00 0.00 C -ATOM 1444 C TYR A 87 -0.030 -10.259 5.916 1.00 0.00 C -ATOM 1445 O TYR A 87 1.100 -10.300 5.417 1.00 0.00 O -ATOM 1446 CB TYR A 87 -0.540 -9.032 8.024 1.00 0.00 C -ATOM 1447 CG TYR A 87 -0.790 -7.699 8.686 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 -2.079 -7.235 8.901 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 0.271 -6.907 9.103 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 -2.303 -6.023 9.513 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 0.053 -5.692 9.714 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -1.236 -5.256 9.915 1.00 0.00 C -ATOM 1453 OH TYR A 87 -1.462 -4.052 10.532 1.00 0.00 O -ATOM 1454 H TYR A 87 -2.682 -8.982 6.481 1.00 0.00 H -ATOM 1455 HA TYR A 87 0.086 -8.175 6.178 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 -1.303 -9.718 8.360 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 0.424 -9.393 8.353 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 -2.916 -7.835 8.580 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 1.281 -7.255 8.943 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 -3.313 -5.678 9.673 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 0.893 -5.089 10.027 1.00 0.00 H -ATOM 1462 HH TYR A 87 -2.225 -4.175 11.111 1.00 0.00 H -ATOM 1463 N SER A 88 -0.856 -11.291 5.927 1.00 0.00 N -ATOM 1464 CA SER A 88 -0.466 -12.572 5.391 1.00 0.00 C -ATOM 1465 C SER A 88 -0.273 -12.469 3.889 1.00 0.00 C -ATOM 1466 O SER A 88 0.645 -13.071 3.312 1.00 0.00 O -ATOM 1467 CB SER A 88 -1.519 -13.621 5.739 1.00 0.00 C -ATOM 1468 OG SER A 88 -2.811 -13.213 5.294 1.00 0.00 O -ATOM 1469 H SER A 88 -1.760 -11.211 6.308 1.00 0.00 H -ATOM 1470 HA SER A 88 0.474 -12.852 5.839 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -1.267 -14.547 5.246 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -1.546 -13.771 6.808 1.00 0.00 H -ATOM 1473 HG SER A 88 -2.885 -13.481 4.369 1.00 0.00 H -ATOM 1474 N GLU A 89 -1.120 -11.664 3.279 1.00 0.00 N -ATOM 1475 CA GLU A 89 -1.096 -11.446 1.865 1.00 0.00 C -ATOM 1476 C GLU A 89 0.206 -10.740 1.480 1.00 0.00 C -ATOM 1477 O GLU A 89 0.894 -11.147 0.534 1.00 0.00 O -ATOM 1478 CB GLU A 89 -2.306 -10.603 1.464 1.00 0.00 C -ATOM 1479 CG GLU A 89 -2.569 -10.570 -0.022 1.00 0.00 C -ATOM 1480 CD GLU A 89 -2.915 -11.932 -0.558 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -4.105 -12.289 -0.581 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -2.015 -12.671 -0.987 1.00 0.00 O -ATOM 1483 H GLU A 89 -1.795 -11.204 3.821 1.00 0.00 H -ATOM 1484 HA GLU A 89 -1.150 -12.401 1.365 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -3.183 -10.999 1.954 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -2.144 -9.590 1.805 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -3.392 -9.898 -0.219 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -1.683 -10.214 -0.524 1.00 0.00 H -ATOM 1489 N ALA A 90 0.566 -9.728 2.258 1.00 0.00 N -ATOM 1490 CA ALA A 90 1.761 -8.955 2.012 1.00 0.00 C -ATOM 1491 C ALA A 90 3.013 -9.809 2.127 1.00 0.00 C -ATOM 1492 O ALA A 90 3.771 -9.929 1.168 1.00 0.00 O -ATOM 1493 CB ALA A 90 1.843 -7.759 2.945 1.00 0.00 C -ATOM 1494 H ALA A 90 -0.008 -9.481 3.014 1.00 0.00 H -ATOM 1495 HA ALA A 90 1.696 -8.585 0.999 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 1.940 -8.108 3.962 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 0.944 -7.167 2.854 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 2.702 -7.155 2.688 1.00 0.00 H -ATOM 1499 N VAL A 91 3.199 -10.459 3.271 1.00 0.00 N -ATOM 1500 CA VAL A 91 4.415 -11.235 3.507 1.00 0.00 C -ATOM 1501 C VAL A 91 4.594 -12.386 2.491 1.00 0.00 C -ATOM 1502 O VAL A 91 5.718 -12.656 2.042 1.00 0.00 O -ATOM 1503 CB VAL A 91 4.558 -11.716 4.994 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 3.414 -12.610 5.422 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 5.905 -12.394 5.238 1.00 0.00 C -ATOM 1506 H VAL A 91 2.500 -10.409 3.961 1.00 0.00 H -ATOM 1507 HA VAL A 91 5.221 -10.545 3.298 1.00 0.00 H -ATOM 1508 HB VAL A 91 4.514 -10.835 5.619 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 3.382 -13.480 4.788 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 2.484 -12.069 5.332 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 3.561 -12.916 6.448 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 5.973 -12.708 6.269 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 6.704 -11.700 5.022 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 5.992 -13.258 4.595 1.00 0.00 H -ATOM 1515 N LYS A 92 3.498 -13.017 2.072 1.00 0.00 N -ATOM 1516 CA LYS A 92 3.587 -14.079 1.069 1.00 0.00 C -ATOM 1517 C LYS A 92 3.794 -13.524 -0.339 1.00 0.00 C -ATOM 1518 O LYS A 92 4.166 -14.253 -1.253 1.00 0.00 O -ATOM 1519 CB LYS A 92 2.388 -15.048 1.099 1.00 0.00 C -ATOM 1520 CG LYS A 92 2.476 -16.194 2.127 1.00 0.00 C -ATOM 1521 CD LYS A 92 2.431 -15.733 3.568 1.00 0.00 C -ATOM 1522 CE LYS A 92 2.469 -16.920 4.519 1.00 0.00 C -ATOM 1523 NZ LYS A 92 2.226 -16.517 5.916 1.00 0.00 N -ATOM 1524 H LYS A 92 2.620 -12.768 2.437 1.00 0.00 H -ATOM 1525 HA LYS A 92 4.480 -14.637 1.306 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 1.498 -14.480 1.320 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 2.279 -15.482 0.117 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 1.647 -16.866 1.972 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 3.397 -16.733 1.959 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 3.302 -15.121 3.743 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 1.534 -15.159 3.741 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 1.714 -17.633 4.223 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 3.441 -17.386 4.451 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 2.921 -15.822 6.253 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 2.273 -17.337 6.552 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 1.278 -16.102 6.020 1.00 0.00 H -ATOM 1537 N ARG A 93 3.558 -12.241 -0.520 1.00 0.00 N -ATOM 1538 CA ARG A 93 3.753 -11.628 -1.819 1.00 0.00 C -ATOM 1539 C ARG A 93 5.179 -11.131 -1.956 1.00 0.00 C -ATOM 1540 O ARG A 93 5.734 -11.105 -3.055 1.00 0.00 O -ATOM 1541 CB ARG A 93 2.730 -10.503 -2.068 1.00 0.00 C -ATOM 1542 CG ARG A 93 2.786 -9.804 -3.447 1.00 0.00 C -ATOM 1543 CD ARG A 93 2.518 -10.753 -4.624 1.00 0.00 C -ATOM 1544 NE ARG A 93 3.631 -11.692 -4.874 1.00 0.00 N -ATOM 1545 CZ ARG A 93 3.555 -12.793 -5.641 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 2.436 -13.074 -6.298 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 4.607 -13.606 -5.761 1.00 0.00 N -ATOM 1548 H ARG A 93 3.242 -11.690 0.230 1.00 0.00 H -ATOM 1549 HA ARG A 93 3.620 -12.395 -2.560 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 1.737 -10.909 -1.953 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 2.876 -9.751 -1.306 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 2.043 -9.022 -3.471 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 3.766 -9.364 -3.566 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 1.629 -11.326 -4.408 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 2.351 -10.164 -5.513 1.00 0.00 H -ATOM 1556 HE ARG A 93 4.476 -11.460 -4.422 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 1.612 -12.501 -6.263 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 2.377 -13.902 -6.863 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 5.492 -13.460 -5.305 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 4.548 -14.429 -6.336 1.00 0.00 H -ATOM 1561 N ILE A 94 5.777 -10.792 -0.849 1.00 0.00 N -ATOM 1562 CA ILE A 94 7.134 -10.283 -0.841 1.00 0.00 C -ATOM 1563 C ILE A 94 8.143 -11.427 -0.882 1.00 0.00 C -ATOM 1564 O ILE A 94 9.046 -11.430 -1.722 1.00 0.00 O -ATOM 1565 CB ILE A 94 7.397 -9.428 0.405 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 6.354 -8.341 0.511 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 8.788 -8.798 0.331 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 6.369 -7.650 1.833 1.00 0.00 C -ATOM 1569 H ILE A 94 5.279 -10.866 -0.005 1.00 0.00 H -ATOM 1570 HA ILE A 94 7.264 -9.666 -1.717 1.00 0.00 H -ATOM 1571 HB ILE A 94 7.333 -10.058 1.279 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 6.538 -7.601 -0.254 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 5.375 -8.772 0.365 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 8.961 -8.213 1.223 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 8.848 -8.158 -0.535 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 9.536 -9.574 0.259 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 6.197 -8.402 2.589 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 5.574 -6.922 1.864 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 7.326 -7.179 1.996 1.00 0.00 H -ATOM 1580 N LEU A 95 8.007 -12.382 0.014 1.00 0.00 N -ATOM 1581 CA LEU A 95 8.935 -13.496 0.047 1.00 0.00 C -ATOM 1582 C LEU A 95 8.250 -14.751 -0.472 1.00 0.00 C -ATOM 1583 O LEU A 95 7.860 -15.620 0.340 1.00 0.00 O -ATOM 1584 CB LEU A 95 9.525 -13.756 1.466 1.00 0.00 C -ATOM 1585 CG LEU A 95 10.389 -12.656 2.129 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 9.547 -11.504 2.650 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 11.235 -13.244 3.245 1.00 0.00 C -ATOM 1588 OXT LEU A 95 8.052 -14.858 -1.701 1.00 0.00 O -ATOM 1589 H LEU A 95 7.263 -12.368 0.654 1.00 0.00 H -ATOM 1590 HA LEU A 95 9.741 -13.254 -0.631 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 8.704 -13.961 2.136 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 10.127 -14.650 1.399 1.00 0.00 H -ATOM 1593 HG LEU A 95 11.059 -12.252 1.384 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 8.851 -11.867 3.392 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 9.000 -11.069 1.828 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 10.191 -10.757 3.090 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 10.594 -13.672 4.001 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 11.836 -12.464 3.689 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 11.881 -14.011 2.844 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 4 -ATOM 1 N MET A 1 11.419 14.430 -1.594 1.00 0.00 N -ATOM 2 CA MET A 1 11.224 14.102 -3.010 1.00 0.00 C -ATOM 3 C MET A 1 10.043 13.170 -3.120 1.00 0.00 C -ATOM 4 O MET A 1 9.859 12.320 -2.260 1.00 0.00 O -ATOM 5 CB MET A 1 12.479 13.426 -3.570 1.00 0.00 C -ATOM 6 CG MET A 1 12.403 13.047 -5.044 1.00 0.00 C -ATOM 7 SD MET A 1 13.925 12.281 -5.654 1.00 0.00 S -ATOM 8 CE MET A 1 14.058 10.844 -4.582 1.00 0.00 C -ATOM 9 H MET A 1 11.586 13.554 -1.061 1.00 0.00 H -ATOM 10 HA MET A 1 11.017 15.010 -3.557 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.324 14.085 -3.437 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.635 12.522 -3.000 1.00 0.00 H -ATOM 13 HG2 MET A 1 11.588 12.354 -5.183 1.00 0.00 H -ATOM 14 HG3 MET A 1 12.212 13.941 -5.620 1.00 0.00 H -ATOM 15 HE1 MET A 1 14.159 11.166 -3.557 1.00 0.00 H -ATOM 16 HE2 MET A 1 14.922 10.262 -4.866 1.00 0.00 H -ATOM 17 HE3 MET A 1 13.170 10.240 -4.683 1.00 0.00 H -ATOM 18 N ALA A 2 9.257 13.316 -4.163 1.00 0.00 N -ATOM 19 CA ALA A 2 8.072 12.503 -4.326 1.00 0.00 C -ATOM 20 C ALA A 2 8.394 11.218 -5.056 1.00 0.00 C -ATOM 21 O ALA A 2 9.142 11.212 -6.041 1.00 0.00 O -ATOM 22 CB ALA A 2 6.969 13.263 -5.040 1.00 0.00 C -ATOM 23 H ALA A 2 9.499 13.954 -4.869 1.00 0.00 H -ATOM 24 HA ALA A 2 7.722 12.248 -3.336 1.00 0.00 H -ATOM 25 HB1 ALA A 2 6.080 12.648 -5.062 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.280 13.483 -6.051 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.760 14.182 -4.513 1.00 0.00 H -ATOM 28 N TYR A 3 7.865 10.146 -4.554 1.00 0.00 N -ATOM 29 CA TYR A 3 8.059 8.836 -5.125 1.00 0.00 C -ATOM 30 C TYR A 3 6.924 8.492 -6.080 1.00 0.00 C -ATOM 31 O TYR A 3 5.919 9.218 -6.161 1.00 0.00 O -ATOM 32 CB TYR A 3 8.169 7.774 -4.012 1.00 0.00 C -ATOM 33 CG TYR A 3 9.459 7.826 -3.199 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.867 8.984 -2.550 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.259 6.700 -3.076 1.00 0.00 C -ATOM 36 CE1 TYR A 3 11.028 9.019 -1.810 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.423 6.726 -2.336 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.803 7.886 -1.707 1.00 0.00 C -ATOM 39 OH TYR A 3 12.969 7.913 -0.966 1.00 0.00 O -ATOM 40 H TYR A 3 7.320 10.240 -3.741 1.00 0.00 H -ATOM 41 HA TYR A 3 8.987 8.851 -5.677 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.347 7.902 -3.324 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.097 6.795 -4.463 1.00 0.00 H -ATOM 44 HD1 TYR A 3 9.258 9.872 -2.635 1.00 0.00 H -ATOM 45 HD2 TYR A 3 9.960 5.788 -3.573 1.00 0.00 H -ATOM 46 HE1 TYR A 3 11.320 9.933 -1.314 1.00 0.00 H -ATOM 47 HE2 TYR A 3 12.031 5.838 -2.254 1.00 0.00 H -ATOM 48 HH TYR A 3 13.645 7.493 -1.515 1.00 0.00 H -ATOM 49 N PHE A 4 7.098 7.420 -6.811 1.00 0.00 N -ATOM 50 CA PHE A 4 6.089 6.928 -7.735 1.00 0.00 C -ATOM 51 C PHE A 4 5.226 5.902 -7.020 1.00 0.00 C -ATOM 52 O PHE A 4 5.625 5.393 -5.986 1.00 0.00 O -ATOM 53 CB PHE A 4 6.757 6.290 -8.961 1.00 0.00 C -ATOM 54 CG PHE A 4 7.612 7.237 -9.750 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.037 8.182 -10.577 1.00 0.00 C -ATOM 56 CD2 PHE A 4 8.996 7.179 -9.665 1.00 0.00 C -ATOM 57 CE1 PHE A 4 7.819 9.054 -11.304 1.00 0.00 C -ATOM 58 CE2 PHE A 4 9.783 8.047 -10.390 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.194 8.986 -11.209 1.00 0.00 C -ATOM 60 H PHE A 4 7.946 6.929 -6.727 1.00 0.00 H -ATOM 61 HA PHE A 4 5.474 7.760 -8.049 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.402 5.496 -8.615 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.011 5.868 -9.616 1.00 0.00 H -ATOM 64 HD1 PHE A 4 5.960 8.235 -10.649 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.458 6.444 -9.022 1.00 0.00 H -ATOM 66 HE1 PHE A 4 7.354 9.788 -11.946 1.00 0.00 H -ATOM 67 HE2 PHE A 4 10.859 7.995 -10.316 1.00 0.00 H -ATOM 68 HZ PHE A 4 9.810 9.668 -11.776 1.00 0.00 H -ATOM 69 N LEU A 5 4.064 5.608 -7.545 1.00 0.00 N -ATOM 70 CA LEU A 5 3.174 4.645 -6.918 1.00 0.00 C -ATOM 71 C LEU A 5 2.793 3.581 -7.959 1.00 0.00 C -ATOM 72 O LEU A 5 2.331 3.919 -9.047 1.00 0.00 O -ATOM 73 CB LEU A 5 1.911 5.388 -6.394 1.00 0.00 C -ATOM 74 CG LEU A 5 1.040 4.719 -5.285 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.471 3.384 -5.694 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.803 4.588 -3.984 1.00 0.00 C -ATOM 77 H LEU A 5 3.781 6.030 -8.385 1.00 0.00 H -ATOM 78 HA LEU A 5 3.691 4.181 -6.092 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.240 6.342 -6.014 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.277 5.576 -7.249 1.00 0.00 H -ATOM 81 HG LEU A 5 0.195 5.366 -5.099 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.079 2.975 -4.859 1.00 0.00 H -ATOM 83 HD12 LEU A 5 1.276 2.714 -5.954 1.00 0.00 H -ATOM 84 HD13 LEU A 5 -0.195 3.511 -6.535 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.084 5.564 -3.624 1.00 0.00 H -ATOM 86 HD22 LEU A 5 2.686 3.988 -4.143 1.00 0.00 H -ATOM 87 HD23 LEU A 5 1.172 4.104 -3.253 1.00 0.00 H -ATOM 88 N ASP A 6 3.018 2.331 -7.648 1.00 0.00 N -ATOM 89 CA ASP A 6 2.630 1.228 -8.528 1.00 0.00 C -ATOM 90 C ASP A 6 1.875 0.213 -7.712 1.00 0.00 C -ATOM 91 O ASP A 6 2.086 0.094 -6.503 1.00 0.00 O -ATOM 92 CB ASP A 6 3.850 0.563 -9.186 1.00 0.00 C -ATOM 93 CG ASP A 6 3.493 -0.532 -10.202 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.747 -0.254 -11.172 1.00 0.00 O -ATOM 95 OD2 ASP A 6 3.999 -1.674 -10.084 1.00 0.00 O -ATOM 96 H ASP A 6 3.445 2.108 -6.788 1.00 0.00 H -ATOM 97 HA ASP A 6 1.976 1.623 -9.291 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.484 1.296 -9.660 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.379 0.083 -8.379 1.00 0.00 H -ATOM 100 N PHE A 7 1.008 -0.489 -8.343 1.00 0.00 N -ATOM 101 CA PHE A 7 0.199 -1.479 -7.683 1.00 0.00 C -ATOM 102 C PHE A 7 0.489 -2.819 -8.302 1.00 0.00 C -ATOM 103 O PHE A 7 0.579 -2.921 -9.538 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.300 -1.202 -7.887 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.829 0.124 -7.402 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -1.854 1.227 -8.247 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.341 0.253 -6.126 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.369 2.434 -7.818 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.863 1.457 -5.693 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.877 2.549 -6.540 1.00 0.00 C -ATOM 111 H PHE A 7 0.939 -0.366 -9.313 1.00 0.00 H -ATOM 112 HA PHE A 7 0.420 -1.486 -6.628 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.507 -1.251 -8.944 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.858 -1.985 -7.393 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.457 1.138 -9.246 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.328 -0.597 -5.461 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.379 3.285 -8.483 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.261 1.546 -4.693 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.283 3.490 -6.201 1.00 0.00 H -ATOM 120 N ASP A 8 0.655 -3.836 -7.482 1.00 0.00 N -ATOM 121 CA ASP A 8 0.775 -5.187 -8.004 1.00 0.00 C -ATOM 122 C ASP A 8 -0.599 -5.578 -8.503 1.00 0.00 C -ATOM 123 O ASP A 8 -1.599 -5.036 -8.007 1.00 0.00 O -ATOM 124 CB ASP A 8 1.232 -6.176 -6.921 1.00 0.00 C -ATOM 125 CG ASP A 8 1.511 -7.561 -7.482 1.00 0.00 C -ATOM 126 OD1 ASP A 8 0.597 -8.393 -7.540 1.00 0.00 O -ATOM 127 OD2 ASP A 8 2.663 -7.834 -7.898 1.00 0.00 O -ATOM 128 H ASP A 8 0.700 -3.684 -6.511 1.00 0.00 H -ATOM 129 HA ASP A 8 1.474 -5.175 -8.826 1.00 0.00 H -ATOM 130 HB2 ASP A 8 2.139 -5.806 -6.463 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.462 -6.258 -6.168 1.00 0.00 H -ATOM 132 N GLU A 9 -0.683 -6.483 -9.454 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.967 -6.852 -10.005 1.00 0.00 C -ATOM 134 C GLU A 9 -2.921 -7.395 -8.935 1.00 0.00 C -ATOM 135 O GLU A 9 -4.117 -7.157 -9.018 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.843 -7.813 -11.171 1.00 0.00 C -ATOM 137 CG GLU A 9 -1.297 -9.162 -10.811 1.00 0.00 C -ATOM 138 CD GLU A 9 -1.283 -10.076 -11.980 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -2.367 -10.558 -12.386 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -0.192 -10.351 -12.501 1.00 0.00 O -ATOM 141 H GLU A 9 0.135 -6.907 -9.794 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.401 -5.931 -10.365 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.820 -7.953 -11.608 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -1.193 -7.369 -11.909 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -0.287 -9.049 -10.447 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -1.917 -9.592 -10.038 1.00 0.00 H -ATOM 147 N ARG A 10 -2.389 -8.079 -7.902 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.248 -8.553 -6.811 1.00 0.00 C -ATOM 149 C ARG A 10 -3.885 -7.378 -6.099 1.00 0.00 C -ATOM 150 O ARG A 10 -5.070 -7.406 -5.776 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.525 -9.468 -5.801 1.00 0.00 C -ATOM 152 CG ARG A 10 -1.219 -8.931 -5.245 1.00 0.00 C -ATOM 153 CD ARG A 10 -0.734 -9.750 -4.064 1.00 0.00 C -ATOM 154 NE ARG A 10 -1.427 -9.358 -2.832 1.00 0.00 N -ATOM 155 CZ ARG A 10 -2.151 -10.151 -2.032 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -2.472 -11.396 -2.404 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -2.583 -9.677 -0.868 1.00 0.00 N -ATOM 158 H ARG A 10 -1.417 -8.247 -7.891 1.00 0.00 H -ATOM 159 HA ARG A 10 -4.046 -9.106 -7.284 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -3.184 -9.650 -4.965 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -2.322 -10.412 -6.286 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -0.469 -8.959 -6.021 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -1.370 -7.910 -4.928 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -0.913 -10.795 -4.260 1.00 0.00 H -ATOM 165 HD3 ARG A 10 0.325 -9.585 -3.936 1.00 0.00 H -ATOM 166 HE ARG A 10 -1.275 -8.411 -2.589 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -2.196 -11.796 -3.285 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -3.020 -11.993 -1.812 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -2.380 -8.741 -0.563 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -3.123 -10.236 -0.216 1.00 0.00 H -ATOM 171 N ALA A 11 -3.106 -6.324 -5.929 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.563 -5.126 -5.287 1.00 0.00 C -ATOM 173 C ALA A 11 -4.606 -4.441 -6.146 1.00 0.00 C -ATOM 174 O ALA A 11 -5.577 -3.959 -5.640 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.404 -4.188 -4.991 1.00 0.00 C -ATOM 176 H ALA A 11 -2.194 -6.344 -6.286 1.00 0.00 H -ATOM 177 HA ALA A 11 -4.023 -5.410 -4.352 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.683 -4.691 -4.364 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -2.770 -3.307 -4.487 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -1.932 -3.899 -5.918 1.00 0.00 H -ATOM 181 N LEU A 12 -4.404 -4.456 -7.464 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.326 -3.833 -8.407 1.00 0.00 C -ATOM 183 C LEU A 12 -6.684 -4.486 -8.375 1.00 0.00 C -ATOM 184 O LEU A 12 -7.707 -3.808 -8.367 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.767 -3.878 -9.822 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.627 -2.922 -10.127 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.083 -3.183 -11.521 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.118 -1.479 -10.014 1.00 0.00 C -ATOM 189 H LEU A 12 -3.609 -4.906 -7.825 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.439 -2.799 -8.118 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.422 -4.885 -10.007 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.579 -3.669 -10.499 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.834 -3.068 -9.411 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -2.744 -4.205 -11.595 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.250 -2.520 -11.707 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -3.856 -3.004 -12.253 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -3.322 -0.802 -10.284 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -4.423 -1.272 -8.997 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.960 -1.325 -10.672 1.00 0.00 H -ATOM 200 N LYS A 13 -6.686 -5.794 -8.336 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.912 -6.566 -8.309 1.00 0.00 C -ATOM 202 C LYS A 13 -8.697 -6.255 -7.036 1.00 0.00 C -ATOM 203 O LYS A 13 -9.907 -5.999 -7.086 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.560 -8.048 -8.408 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.830 -8.379 -9.701 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.130 -9.722 -9.641 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.298 -9.944 -10.898 1.00 0.00 C -ATOM 208 NZ LYS A 13 -4.546 -11.219 -10.880 1.00 0.00 N -ATOM 209 H LYS A 13 -5.822 -6.264 -8.331 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.504 -6.285 -9.167 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -6.930 -8.315 -7.573 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.470 -8.628 -8.374 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.542 -8.396 -10.513 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -6.096 -7.609 -9.891 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.474 -9.699 -8.782 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -6.860 -10.511 -9.535 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -5.953 -9.944 -11.755 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -4.597 -9.127 -10.987 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -5.160 -12.047 -11.005 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -4.065 -11.338 -9.965 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -3.806 -11.217 -11.618 1.00 0.00 H -ATOM 222 N GLU A 14 -7.994 -6.200 -5.923 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.584 -5.856 -4.646 1.00 0.00 C -ATOM 224 C GLU A 14 -9.001 -4.369 -4.610 1.00 0.00 C -ATOM 225 O GLU A 14 -10.019 -4.019 -4.059 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.613 -6.186 -3.526 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.234 -7.662 -3.468 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.404 -8.565 -3.155 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -8.816 -8.641 -1.982 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -8.923 -9.234 -4.062 1.00 0.00 O -ATOM 231 H GLU A 14 -7.037 -6.421 -5.937 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.468 -6.467 -4.534 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.713 -5.608 -3.670 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.060 -5.912 -2.582 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -6.856 -7.936 -4.441 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.453 -7.810 -2.739 1.00 0.00 H -ATOM 237 N TRP A 15 -8.203 -3.529 -5.224 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.441 -2.080 -5.328 1.00 0.00 C -ATOM 239 C TRP A 15 -9.756 -1.811 -6.066 1.00 0.00 C -ATOM 240 O TRP A 15 -10.545 -0.971 -5.659 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.247 -1.458 -6.080 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.241 0.029 -6.274 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.628 0.711 -7.392 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.770 1.011 -5.348 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.438 2.058 -7.210 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -6.913 2.268 -5.965 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.247 0.953 -4.055 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.549 3.452 -5.336 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -5.886 2.128 -3.432 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.037 3.360 -4.072 1.00 0.00 C -ATOM 251 H TRP A 15 -7.372 -3.883 -5.614 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.497 -1.660 -4.333 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.341 -1.702 -5.544 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.195 -1.924 -7.053 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -8.024 0.241 -8.281 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.638 2.756 -7.873 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.123 0.008 -3.547 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.661 4.412 -5.816 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.476 2.105 -2.434 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -5.741 4.254 -3.543 1.00 0.00 H -ATOM 261 N ARG A 16 -9.990 -2.551 -7.139 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.223 -2.425 -7.932 1.00 0.00 C -ATOM 263 C ARG A 16 -12.399 -3.066 -7.187 1.00 0.00 C -ATOM 264 O ARG A 16 -13.561 -2.729 -7.403 1.00 0.00 O -ATOM 265 CB ARG A 16 -11.021 -3.072 -9.304 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.879 -2.444 -10.083 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.559 -3.208 -11.348 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.358 -2.676 -12.009 1.00 0.00 N -ATOM 269 CZ ARG A 16 -7.612 -3.342 -12.903 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -7.974 -4.547 -13.300 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -6.510 -2.789 -13.405 1.00 0.00 N -ATOM 272 H ARG A 16 -9.294 -3.192 -7.411 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.425 -1.371 -8.059 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.805 -4.121 -9.167 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.927 -2.969 -9.883 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.149 -1.432 -10.343 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -9.003 -2.426 -9.451 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.387 -4.243 -11.090 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -10.395 -3.138 -12.028 1.00 0.00 H -ATOM 280 HE ARG A 16 -8.117 -1.764 -11.730 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.801 -5.000 -12.956 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -7.443 -5.064 -13.975 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -6.191 -1.873 -13.146 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -5.943 -3.269 -14.083 1.00 0.00 H -ATOM 285 N LYS A 17 -12.062 -3.982 -6.310 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.997 -4.689 -5.439 1.00 0.00 C -ATOM 287 C LYS A 17 -13.471 -3.751 -4.306 1.00 0.00 C -ATOM 288 O LYS A 17 -14.519 -3.966 -3.688 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.242 -5.903 -4.896 1.00 0.00 C -ATOM 290 CG LYS A 17 -12.904 -6.772 -3.854 1.00 0.00 C -ATOM 291 CD LYS A 17 -11.909 -7.854 -3.476 1.00 0.00 C -ATOM 292 CE LYS A 17 -12.362 -8.739 -2.345 1.00 0.00 C -ATOM 293 NZ LYS A 17 -11.325 -9.747 -2.032 1.00 0.00 N -ATOM 294 H LYS A 17 -11.111 -4.216 -6.240 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.841 -5.025 -6.024 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -11.990 -6.547 -5.724 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.318 -5.529 -4.479 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -13.149 -6.170 -2.991 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -13.790 -7.230 -4.267 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -11.727 -8.480 -4.336 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -10.980 -7.377 -3.195 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -12.543 -8.123 -1.476 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -13.274 -9.241 -2.630 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -11.212 -10.421 -2.814 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -11.532 -10.274 -1.161 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -10.396 -9.286 -1.895 1.00 0.00 H -ATOM 307 N LEU A 18 -12.687 -2.726 -4.043 1.00 0.00 N -ATOM 308 CA LEU A 18 -13.026 -1.695 -3.071 1.00 0.00 C -ATOM 309 C LEU A 18 -14.056 -0.725 -3.628 1.00 0.00 C -ATOM 310 O LEU A 18 -14.306 -0.676 -4.850 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.777 -0.907 -2.656 1.00 0.00 C -ATOM 312 CG LEU A 18 -11.094 -1.295 -1.344 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.711 -2.759 -1.303 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.886 -0.419 -1.129 1.00 0.00 C -ATOM 315 H LEU A 18 -11.829 -2.669 -4.514 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.433 -2.175 -2.195 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -11.047 -1.007 -3.447 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -12.059 0.134 -2.594 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.774 -1.111 -0.529 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -10.024 -2.977 -2.108 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -11.603 -3.358 -1.419 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.246 -2.981 -0.355 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.179 -0.572 -1.931 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -9.426 -0.650 -0.179 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -10.215 0.610 -1.135 1.00 0.00 H -ATOM 326 N GLY A 19 -14.640 0.043 -2.744 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.575 1.063 -3.147 1.00 0.00 C -ATOM 328 C GLY A 19 -14.828 2.268 -3.677 1.00 0.00 C -ATOM 329 O GLY A 19 -13.667 2.485 -3.292 1.00 0.00 O -ATOM 330 H GLY A 19 -14.428 -0.081 -1.792 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.219 0.667 -3.919 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.170 1.359 -2.297 1.00 0.00 H -ATOM 333 N SER A 20 -15.468 3.038 -4.541 1.00 0.00 N -ATOM 334 CA SER A 20 -14.864 4.195 -5.178 1.00 0.00 C -ATOM 335 C SER A 20 -14.297 5.202 -4.167 1.00 0.00 C -ATOM 336 O SER A 20 -13.166 5.658 -4.309 1.00 0.00 O -ATOM 337 CB SER A 20 -15.886 4.845 -6.107 1.00 0.00 C -ATOM 338 OG SER A 20 -17.133 5.023 -5.439 1.00 0.00 O -ATOM 339 H SER A 20 -16.396 2.841 -4.785 1.00 0.00 H -ATOM 340 HA SER A 20 -14.046 3.835 -5.786 1.00 0.00 H -ATOM 341 HB2 SER A 20 -15.518 5.810 -6.425 1.00 0.00 H -ATOM 342 HB3 SER A 20 -16.039 4.215 -6.970 1.00 0.00 H -ATOM 343 HG SER A 20 -17.555 5.781 -5.864 1.00 0.00 H -ATOM 344 N THR A 21 -15.066 5.520 -3.155 1.00 0.00 N -ATOM 345 CA THR A 21 -14.633 6.442 -2.139 1.00 0.00 C -ATOM 346 C THR A 21 -13.524 5.812 -1.295 1.00 0.00 C -ATOM 347 O THR A 21 -12.512 6.444 -1.026 1.00 0.00 O -ATOM 348 CB THR A 21 -15.810 6.860 -1.239 1.00 0.00 C -ATOM 349 OG1 THR A 21 -16.926 7.219 -2.076 1.00 0.00 O -ATOM 350 CG2 THR A 21 -15.429 8.064 -0.379 1.00 0.00 C -ATOM 351 H THR A 21 -15.953 5.110 -3.079 1.00 0.00 H -ATOM 352 HA THR A 21 -14.241 7.321 -2.632 1.00 0.00 H -ATOM 353 HB THR A 21 -16.082 6.034 -0.598 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.621 6.564 -1.919 1.00 0.00 H -ATOM 355 HG21 THR A 21 -14.588 7.808 0.249 1.00 0.00 H -ATOM 356 HG22 THR A 21 -16.269 8.344 0.238 1.00 0.00 H -ATOM 357 HG23 THR A 21 -15.163 8.894 -1.017 1.00 0.00 H -ATOM 358 N VAL A 22 -13.704 4.540 -0.953 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.774 3.808 -0.088 1.00 0.00 C -ATOM 360 C VAL A 22 -11.387 3.725 -0.710 1.00 0.00 C -ATOM 361 O VAL A 22 -10.387 4.054 -0.056 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.295 2.374 0.229 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -12.250 1.567 0.970 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.556 2.446 1.067 1.00 0.00 C -ATOM 365 H VAL A 22 -14.492 4.081 -1.316 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.699 4.355 0.841 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.532 1.874 -0.698 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -11.355 1.503 0.369 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -12.630 0.573 1.160 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -12.019 2.051 1.908 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.924 1.449 1.255 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -15.305 3.024 0.549 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.329 2.924 2.009 1.00 0.00 H -ATOM 374 N ARG A 23 -11.332 3.348 -1.984 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.062 3.274 -2.685 1.00 0.00 C -ATOM 376 C ARG A 23 -9.452 4.672 -2.757 1.00 0.00 C -ATOM 377 O ARG A 23 -8.272 4.847 -2.546 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.209 2.697 -4.122 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.163 3.500 -4.976 1.00 0.00 C -ATOM 380 CD ARG A 23 -10.858 3.479 -6.450 1.00 0.00 C -ATOM 381 NE ARG A 23 -11.595 4.570 -7.104 1.00 0.00 N -ATOM 382 CZ ARG A 23 -11.717 4.773 -8.414 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -11.325 3.846 -9.284 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -12.274 5.904 -8.845 1.00 0.00 N -ATOM 385 H ARG A 23 -12.172 3.113 -2.443 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.405 2.640 -2.109 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.239 2.696 -4.599 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.574 1.683 -4.057 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.148 3.078 -4.843 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.191 4.519 -4.622 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -9.797 3.629 -6.592 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -11.156 2.540 -6.888 1.00 0.00 H -ATOM 393 HE ARG A 23 -11.976 5.229 -6.479 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -10.935 2.970 -8.988 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -11.405 3.981 -10.275 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -12.592 6.610 -8.194 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -12.411 6.106 -9.819 1.00 0.00 H -ATOM 398 N GLU A 24 -10.285 5.659 -3.026 1.00 0.00 N -ATOM 399 CA GLU A 24 -9.836 7.004 -3.174 1.00 0.00 C -ATOM 400 C GLU A 24 -9.319 7.645 -1.894 1.00 0.00 C -ATOM 401 O GLU A 24 -8.388 8.419 -1.952 1.00 0.00 O -ATOM 402 CB GLU A 24 -10.786 7.845 -4.012 1.00 0.00 C -ATOM 403 CG GLU A 24 -10.711 7.416 -5.481 1.00 0.00 C -ATOM 404 CD GLU A 24 -11.566 8.205 -6.434 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -11.120 9.274 -6.901 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -12.663 7.732 -6.802 1.00 0.00 O -ATOM 407 H GLU A 24 -11.246 5.478 -3.105 1.00 0.00 H -ATOM 408 HA GLU A 24 -8.938 6.866 -3.759 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -11.789 7.671 -3.642 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -10.526 8.889 -3.935 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -9.687 7.514 -5.810 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -10.992 6.376 -5.542 1.00 0.00 H -ATOM 413 N GLN A 25 -9.897 7.293 -0.743 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.375 7.726 0.553 1.00 0.00 C -ATOM 415 C GLN A 25 -7.948 7.211 0.710 1.00 0.00 C -ATOM 416 O GLN A 25 -7.043 7.942 1.117 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.219 7.165 1.703 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.688 7.550 1.705 1.00 0.00 C -ATOM 419 CD GLN A 25 -11.910 9.034 1.756 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -11.989 9.624 2.827 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -12.032 9.643 0.619 1.00 0.00 N -ATOM 422 H GLN A 25 -10.721 6.761 -0.753 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.375 8.805 0.598 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.182 6.090 1.635 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.780 7.470 2.641 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -12.143 7.173 0.801 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -12.167 7.098 2.563 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -11.978 9.128 -0.213 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -12.182 10.611 0.629 1.00 0.00 H -ATOM 430 N LEU A 26 -7.756 5.950 0.350 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.451 5.319 0.409 1.00 0.00 C -ATOM 432 C LEU A 26 -5.511 5.953 -0.606 1.00 0.00 C -ATOM 433 O LEU A 26 -4.360 6.214 -0.306 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.576 3.813 0.184 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.354 3.038 1.259 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.493 1.584 0.874 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.671 3.155 2.618 1.00 0.00 C -ATOM 438 H LEU A 26 -8.524 5.426 0.032 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.051 5.496 1.396 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.069 3.665 -0.766 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.580 3.401 0.116 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.347 3.454 1.342 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.041 1.059 1.643 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -6.511 1.147 0.767 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.026 1.510 -0.062 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -7.212 2.566 3.343 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -6.666 4.187 2.937 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -5.656 2.792 2.546 1.00 0.00 H -ATOM 449 N LYS A 27 -6.034 6.219 -1.791 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.311 6.910 -2.863 1.00 0.00 C -ATOM 451 C LYS A 27 -4.823 8.273 -2.367 1.00 0.00 C -ATOM 452 O LYS A 27 -3.698 8.675 -2.633 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.247 7.138 -4.041 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.613 7.850 -5.225 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.663 8.370 -6.192 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.494 9.483 -5.551 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.497 10.041 -6.469 1.00 0.00 N -ATOM 458 H LYS A 27 -6.949 5.896 -1.958 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.475 6.306 -3.183 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.629 6.185 -4.375 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.068 7.737 -3.678 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.045 8.686 -4.845 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -4.954 7.166 -5.741 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -6.175 8.754 -7.075 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.320 7.557 -6.464 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -8.013 9.099 -4.687 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.822 10.273 -5.244 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -9.175 9.329 -6.814 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -8.054 10.494 -7.291 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -9.053 10.766 -5.972 1.00 0.00 H -ATOM 471 N LYS A 28 -5.697 8.972 -1.661 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.381 10.254 -1.059 1.00 0.00 C -ATOM 473 C LYS A 28 -4.216 10.117 -0.091 1.00 0.00 C -ATOM 474 O LYS A 28 -3.313 10.948 -0.083 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.618 10.844 -0.383 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.660 11.358 -1.380 1.00 0.00 C -ATOM 477 CD LYS A 28 -9.068 11.408 -0.787 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.162 12.222 0.480 1.00 0.00 C -ATOM 479 NZ LYS A 28 -8.904 13.656 0.245 1.00 0.00 N -ATOM 480 H LYS A 28 -6.605 8.605 -1.565 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.081 10.908 -1.863 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -7.073 10.089 0.241 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.306 11.674 0.235 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.383 12.350 -1.702 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -7.665 10.692 -2.232 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.719 11.866 -1.516 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -9.404 10.401 -0.596 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -10.150 12.072 0.890 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -8.430 11.821 1.165 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -9.604 14.031 -0.425 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -7.965 13.827 -0.168 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -8.991 14.201 1.125 1.00 0.00 H -ATOM 493 N LYS A 29 -4.219 9.052 0.692 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.098 8.764 1.574 1.00 0.00 C -ATOM 495 C LYS A 29 -1.847 8.433 0.792 1.00 0.00 C -ATOM 496 O LYS A 29 -0.765 8.855 1.157 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.408 7.667 2.593 1.00 0.00 C -ATOM 498 CG LYS A 29 -3.986 8.182 3.910 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.345 8.824 3.757 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.816 9.404 5.078 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.991 10.565 5.508 1.00 0.00 N -ATOM 502 H LYS A 29 -4.993 8.448 0.670 1.00 0.00 H -ATOM 503 HA LYS A 29 -2.873 9.670 2.115 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.119 6.981 2.157 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.493 7.135 2.806 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.086 7.356 4.599 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.299 8.908 4.321 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -5.274 9.614 3.024 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.054 8.081 3.424 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.851 9.699 5.000 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.717 8.616 5.812 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -5.385 10.971 6.383 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -4.976 11.306 4.780 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.015 10.267 5.703 1.00 0.00 H -ATOM 515 N LEU A 30 -2.007 7.717 -0.296 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.889 7.348 -1.139 1.00 0.00 C -ATOM 517 C LEU A 30 -0.242 8.568 -1.773 1.00 0.00 C -ATOM 518 O LEU A 30 0.966 8.729 -1.710 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.321 6.361 -2.226 1.00 0.00 C -ATOM 520 CG LEU A 30 -1.884 5.029 -1.739 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.260 4.148 -2.914 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -0.895 4.323 -0.822 1.00 0.00 C -ATOM 523 H LEU A 30 -2.911 7.405 -0.525 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.160 6.860 -0.510 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.074 6.845 -2.828 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.465 6.156 -2.852 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.786 5.225 -1.177 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -1.384 3.967 -3.518 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -3.013 4.643 -3.510 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -2.646 3.207 -2.552 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -0.728 4.930 0.055 1.00 0.00 H -ATOM 532 HD22 LEU A 30 0.041 4.179 -1.342 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -1.298 3.366 -0.526 1.00 0.00 H -ATOM 534 N VAL A 31 -1.052 9.452 -2.333 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.531 10.630 -3.004 1.00 0.00 C -ATOM 536 C VAL A 31 0.197 11.565 -2.015 1.00 0.00 C -ATOM 537 O VAL A 31 1.266 12.104 -2.338 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.626 11.386 -3.851 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -2.727 11.982 -2.998 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -1.013 12.445 -4.751 1.00 0.00 C -ATOM 541 H VAL A 31 -2.022 9.288 -2.301 1.00 0.00 H -ATOM 542 HA VAL A 31 0.228 10.259 -3.680 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.093 10.647 -4.485 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -3.466 12.454 -3.628 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -2.301 12.716 -2.331 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -3.188 11.195 -2.420 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -0.320 11.977 -5.433 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -0.499 13.180 -4.148 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -1.806 12.921 -5.310 1.00 0.00 H -ATOM 550 N GLU A 32 -0.364 11.740 -0.811 1.00 0.00 N -ATOM 551 CA GLU A 32 0.282 12.564 0.204 1.00 0.00 C -ATOM 552 C GLU A 32 1.556 11.903 0.748 1.00 0.00 C -ATOM 553 O GLU A 32 2.583 12.554 0.881 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.680 12.983 1.341 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.265 11.842 2.149 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.181 12.306 3.251 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -3.401 12.443 3.021 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -1.706 12.532 4.377 1.00 0.00 O -ATOM 559 H GLU A 32 -1.221 11.304 -0.608 1.00 0.00 H -ATOM 560 HA GLU A 32 0.608 13.452 -0.316 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.151 13.632 2.022 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.497 13.535 0.901 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -1.825 11.215 1.471 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.455 11.270 2.577 1.00 0.00 H -ATOM 565 N VAL A 33 1.489 10.593 1.006 1.00 0.00 N -ATOM 566 CA VAL A 33 2.602 9.854 1.590 1.00 0.00 C -ATOM 567 C VAL A 33 3.817 9.856 0.659 1.00 0.00 C -ATOM 568 O VAL A 33 4.942 9.841 1.113 1.00 0.00 O -ATOM 569 CB VAL A 33 2.223 8.397 2.036 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.193 7.398 0.887 1.00 0.00 C -ATOM 571 CG2 VAL A 33 3.111 7.921 3.168 1.00 0.00 C -ATOM 572 H VAL A 33 0.656 10.103 0.817 1.00 0.00 H -ATOM 573 HA VAL A 33 2.888 10.419 2.467 1.00 0.00 H -ATOM 574 HB VAL A 33 1.212 8.452 2.414 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.510 7.753 0.131 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.864 6.435 1.250 1.00 0.00 H -ATOM 577 HG13 VAL A 33 3.182 7.306 0.462 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.865 6.898 3.417 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.937 8.546 4.030 1.00 0.00 H -ATOM 580 HG23 VAL A 33 4.146 7.989 2.871 1.00 0.00 H -ATOM 581 N LEU A 34 3.559 9.898 -0.648 1.00 0.00 N -ATOM 582 CA LEU A 34 4.600 9.882 -1.685 1.00 0.00 C -ATOM 583 C LEU A 34 5.650 10.969 -1.521 1.00 0.00 C -ATOM 584 O LEU A 34 6.772 10.794 -1.993 1.00 0.00 O -ATOM 585 CB LEU A 34 4.007 9.983 -3.088 1.00 0.00 C -ATOM 586 CG LEU A 34 3.245 8.775 -3.614 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.686 9.072 -4.990 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.150 7.562 -3.665 1.00 0.00 C -ATOM 589 H LEU A 34 2.617 9.927 -0.923 1.00 0.00 H -ATOM 590 HA LEU A 34 5.107 8.931 -1.612 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.327 10.821 -3.085 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.811 10.204 -3.774 1.00 0.00 H -ATOM 593 HG LEU A 34 2.417 8.556 -2.956 1.00 0.00 H -ATOM 594 HD11 LEU A 34 2.110 8.230 -5.341 1.00 0.00 H -ATOM 595 HD12 LEU A 34 3.506 9.262 -5.667 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.057 9.948 -4.943 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.440 7.276 -2.666 1.00 0.00 H -ATOM 598 HD22 LEU A 34 5.035 7.812 -4.233 1.00 0.00 H -ATOM 599 HD23 LEU A 34 3.641 6.742 -4.148 1.00 0.00 H -ATOM 600 N GLU A 35 5.307 12.092 -0.882 1.00 0.00 N -ATOM 601 CA GLU A 35 6.294 13.151 -0.703 1.00 0.00 C -ATOM 602 C GLU A 35 7.403 12.700 0.251 1.00 0.00 C -ATOM 603 O GLU A 35 8.527 13.178 0.171 1.00 0.00 O -ATOM 604 CB GLU A 35 5.672 14.476 -0.226 1.00 0.00 C -ATOM 605 CG GLU A 35 5.004 14.417 1.135 1.00 0.00 C -ATOM 606 CD GLU A 35 4.542 15.767 1.607 1.00 0.00 C -ATOM 607 OE1 GLU A 35 3.444 16.217 1.218 1.00 0.00 O -ATOM 608 OE2 GLU A 35 5.269 16.411 2.394 1.00 0.00 O -ATOM 609 H GLU A 35 4.400 12.192 -0.516 1.00 0.00 H -ATOM 610 HA GLU A 35 6.751 13.304 -1.669 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.447 15.226 -0.181 1.00 0.00 H -ATOM 612 HB3 GLU A 35 4.934 14.787 -0.951 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.148 13.762 1.077 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.710 14.023 1.851 1.00 0.00 H -ATOM 615 N SER A 36 7.076 11.777 1.135 1.00 0.00 N -ATOM 616 CA SER A 36 8.018 11.233 2.073 1.00 0.00 C -ATOM 617 C SER A 36 7.515 9.926 2.675 1.00 0.00 C -ATOM 618 O SER A 36 7.038 9.898 3.791 1.00 0.00 O -ATOM 619 CB SER A 36 8.386 12.263 3.144 1.00 0.00 C -ATOM 620 OG SER A 36 7.231 12.920 3.656 1.00 0.00 O -ATOM 621 H SER A 36 6.160 11.418 1.155 1.00 0.00 H -ATOM 622 HA SER A 36 8.908 10.986 1.519 1.00 0.00 H -ATOM 623 HB2 SER A 36 8.882 11.763 3.962 1.00 0.00 H -ATOM 624 HB3 SER A 36 9.044 13.006 2.725 1.00 0.00 H -ATOM 625 HG SER A 36 7.366 13.858 3.472 1.00 0.00 H -ATOM 626 N PRO A 37 7.608 8.807 1.923 1.00 0.00 N -ATOM 627 CA PRO A 37 7.097 7.502 2.367 1.00 0.00 C -ATOM 628 C PRO A 37 7.989 6.817 3.408 1.00 0.00 C -ATOM 629 O PRO A 37 7.793 5.668 3.730 1.00 0.00 O -ATOM 630 CB PRO A 37 7.054 6.691 1.074 1.00 0.00 C -ATOM 631 CG PRO A 37 8.154 7.260 0.257 1.00 0.00 C -ATOM 632 CD PRO A 37 8.168 8.732 0.558 1.00 0.00 C -ATOM 633 HA PRO A 37 6.101 7.587 2.772 1.00 0.00 H -ATOM 634 HB2 PRO A 37 7.214 5.646 1.291 1.00 0.00 H -ATOM 635 HB3 PRO A 37 6.098 6.823 0.590 1.00 0.00 H -ATOM 636 HG2 PRO A 37 9.093 6.813 0.550 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.966 7.091 -0.792 1.00 0.00 H -ATOM 638 HD2 PRO A 37 9.176 9.118 0.526 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.533 9.258 -0.140 1.00 0.00 H -ATOM 640 N ARG A 38 8.930 7.561 3.945 1.00 0.00 N -ATOM 641 CA ARG A 38 9.867 7.088 4.974 1.00 0.00 C -ATOM 642 C ARG A 38 9.277 7.217 6.387 1.00 0.00 C -ATOM 643 O ARG A 38 10.002 7.319 7.374 1.00 0.00 O -ATOM 644 CB ARG A 38 11.218 7.848 4.855 1.00 0.00 C -ATOM 645 CG ARG A 38 11.140 9.380 4.582 1.00 0.00 C -ATOM 646 CD ARG A 38 10.391 10.191 5.652 1.00 0.00 C -ATOM 647 NE ARG A 38 10.972 10.073 6.996 1.00 0.00 N -ATOM 648 CZ ARG A 38 10.563 10.781 8.071 1.00 0.00 C -ATOM 649 NH1 ARG A 38 9.660 11.756 7.934 1.00 0.00 N -ATOM 650 NH2 ARG A 38 11.072 10.525 9.274 1.00 0.00 N -ATOM 651 H ARG A 38 8.983 8.484 3.629 1.00 0.00 H -ATOM 652 HA ARG A 38 10.046 6.040 4.783 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.759 7.715 5.779 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.792 7.396 4.060 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.144 9.767 4.511 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.650 9.522 3.629 1.00 0.00 H -ATOM 657 HD2 ARG A 38 10.413 11.232 5.368 1.00 0.00 H -ATOM 658 HD3 ARG A 38 9.365 9.855 5.682 1.00 0.00 H -ATOM 659 HE ARG A 38 11.675 9.389 7.083 1.00 0.00 H -ATOM 660 HH11 ARG A 38 9.255 12.010 7.050 1.00 0.00 H -ATOM 661 HH12 ARG A 38 9.329 12.299 8.711 1.00 0.00 H -ATOM 662 HH21 ARG A 38 11.762 9.814 9.441 1.00 0.00 H -ATOM 663 HH22 ARG A 38 10.790 11.049 10.083 1.00 0.00 H -ATOM 664 N ILE A 39 7.982 7.148 6.465 1.00 0.00 N -ATOM 665 CA ILE A 39 7.260 7.353 7.693 1.00 0.00 C -ATOM 666 C ILE A 39 7.245 6.070 8.512 1.00 0.00 C -ATOM 667 O ILE A 39 6.407 5.181 8.315 1.00 0.00 O -ATOM 668 CB ILE A 39 5.834 7.886 7.377 1.00 0.00 C -ATOM 669 CG1 ILE A 39 5.999 9.223 6.647 1.00 0.00 C -ATOM 670 CG2 ILE A 39 4.982 8.049 8.643 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.748 9.810 6.052 1.00 0.00 C -ATOM 672 H ILE A 39 7.494 6.909 5.650 1.00 0.00 H -ATOM 673 HA ILE A 39 7.793 8.106 8.256 1.00 0.00 H -ATOM 674 HB ILE A 39 5.340 7.198 6.707 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.387 9.950 7.344 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.716 9.090 5.850 1.00 0.00 H -ATOM 677 HG21 ILE A 39 5.438 8.776 9.296 1.00 0.00 H -ATOM 678 HG22 ILE A 39 4.917 7.100 9.156 1.00 0.00 H -ATOM 679 HG23 ILE A 39 3.990 8.376 8.371 1.00 0.00 H -ATOM 680 HD11 ILE A 39 5.049 10.685 5.490 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.049 10.084 6.828 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.311 9.094 5.373 1.00 0.00 H -ATOM 683 N GLU A 40 8.217 5.985 9.411 1.00 0.00 N -ATOM 684 CA GLU A 40 8.456 4.823 10.254 1.00 0.00 C -ATOM 685 C GLU A 40 7.255 4.454 11.115 1.00 0.00 C -ATOM 686 O GLU A 40 7.108 3.297 11.508 1.00 0.00 O -ATOM 687 CB GLU A 40 9.707 5.016 11.114 1.00 0.00 C -ATOM 688 CG GLU A 40 9.679 6.262 11.976 1.00 0.00 C -ATOM 689 CD GLU A 40 10.865 6.369 12.886 1.00 0.00 C -ATOM 690 OE1 GLU A 40 11.896 6.951 12.485 1.00 0.00 O -ATOM 691 OE2 GLU A 40 10.789 5.896 14.042 1.00 0.00 O -ATOM 692 H GLU A 40 8.814 6.759 9.499 1.00 0.00 H -ATOM 693 HA GLU A 40 8.642 3.997 9.584 1.00 0.00 H -ATOM 694 HB2 GLU A 40 9.826 4.160 11.761 1.00 0.00 H -ATOM 695 HB3 GLU A 40 10.564 5.080 10.461 1.00 0.00 H -ATOM 696 HG2 GLU A 40 9.667 7.127 11.330 1.00 0.00 H -ATOM 697 HG3 GLU A 40 8.778 6.247 12.571 1.00 0.00 H -ATOM 698 N ALA A 41 6.381 5.419 11.372 1.00 0.00 N -ATOM 699 CA ALA A 41 5.170 5.178 12.151 1.00 0.00 C -ATOM 700 C ALA A 41 4.229 4.219 11.411 1.00 0.00 C -ATOM 701 O ALA A 41 3.360 3.588 12.014 1.00 0.00 O -ATOM 702 CB ALA A 41 4.462 6.493 12.449 1.00 0.00 C -ATOM 703 H ALA A 41 6.575 6.326 11.043 1.00 0.00 H -ATOM 704 HA ALA A 41 5.462 4.723 13.086 1.00 0.00 H -ATOM 705 HB1 ALA A 41 5.137 7.157 12.970 1.00 0.00 H -ATOM 706 HB2 ALA A 41 3.597 6.304 13.068 1.00 0.00 H -ATOM 707 HB3 ALA A 41 4.148 6.952 11.523 1.00 0.00 H -ATOM 708 N ASN A 42 4.419 4.099 10.105 1.00 0.00 N -ATOM 709 CA ASN A 42 3.607 3.214 9.282 1.00 0.00 C -ATOM 710 C ASN A 42 4.374 1.965 8.893 1.00 0.00 C -ATOM 711 O ASN A 42 3.801 1.039 8.334 1.00 0.00 O -ATOM 712 CB ASN A 42 3.142 3.917 7.988 1.00 0.00 C -ATOM 713 CG ASN A 42 2.136 5.029 8.202 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.352 5.011 9.156 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.130 5.993 7.312 1.00 0.00 N -ATOM 716 H ASN A 42 5.134 4.618 9.673 1.00 0.00 H -ATOM 717 HA ASN A 42 2.731 2.933 9.847 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.002 4.347 7.500 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.703 3.180 7.331 1.00 0.00 H -ATOM 720 HD21 ASN A 42 2.764 5.948 6.566 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.476 6.718 7.414 1.00 0.00 H -ATOM 722 N LYS A 43 5.659 1.931 9.192 1.00 0.00 N -ATOM 723 CA LYS A 43 6.511 0.890 8.742 1.00 0.00 C -ATOM 724 C LYS A 43 6.315 -0.405 9.518 1.00 0.00 C -ATOM 725 O LYS A 43 6.200 -0.409 10.750 1.00 0.00 O -ATOM 726 CB LYS A 43 7.948 1.360 8.820 1.00 0.00 C -ATOM 727 CG LYS A 43 8.832 0.618 7.891 1.00 0.00 C -ATOM 728 CD LYS A 43 10.230 1.210 7.817 1.00 0.00 C -ATOM 729 CE LYS A 43 11.014 0.572 6.680 1.00 0.00 C -ATOM 730 NZ LYS A 43 12.339 1.184 6.465 1.00 0.00 N -ATOM 731 H LYS A 43 6.102 2.610 9.735 1.00 0.00 H -ATOM 732 HA LYS A 43 6.283 0.710 7.703 1.00 0.00 H -ATOM 733 HB2 LYS A 43 7.982 2.405 8.552 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.309 1.223 9.827 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.847 -0.409 8.216 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.332 0.714 6.941 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.164 2.274 7.649 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.739 1.013 8.748 1.00 0.00 H -ATOM 739 HE2 LYS A 43 11.150 -0.477 6.882 1.00 0.00 H -ATOM 740 HE3 LYS A 43 10.434 0.682 5.775 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 12.948 1.151 7.306 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 12.257 2.179 6.177 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.828 0.681 5.690 1.00 0.00 H -ATOM 744 N LEU A 44 6.282 -1.482 8.781 1.00 0.00 N -ATOM 745 CA LEU A 44 6.119 -2.810 9.308 1.00 0.00 C -ATOM 746 C LEU A 44 7.440 -3.325 9.808 1.00 0.00 C -ATOM 747 O LEU A 44 8.485 -3.116 9.172 1.00 0.00 O -ATOM 748 CB LEU A 44 5.583 -3.750 8.236 1.00 0.00 C -ATOM 749 CG LEU A 44 4.187 -3.454 7.713 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.804 -4.434 6.635 1.00 0.00 C -ATOM 751 CD2 LEU A 44 3.190 -3.530 8.826 1.00 0.00 C -ATOM 752 H LEU A 44 6.397 -1.378 7.808 1.00 0.00 H -ATOM 753 HA LEU A 44 5.411 -2.767 10.120 1.00 0.00 H -ATOM 754 HB2 LEU A 44 6.259 -3.698 7.395 1.00 0.00 H -ATOM 755 HB3 LEU A 44 5.595 -4.758 8.625 1.00 0.00 H -ATOM 756 HG LEU A 44 4.156 -2.457 7.300 1.00 0.00 H -ATOM 757 HD11 LEU A 44 4.493 -4.361 5.808 1.00 0.00 H -ATOM 758 HD12 LEU A 44 2.803 -4.202 6.303 1.00 0.00 H -ATOM 759 HD13 LEU A 44 3.824 -5.434 7.042 1.00 0.00 H -ATOM 760 HD21 LEU A 44 3.374 -2.750 9.550 1.00 0.00 H -ATOM 761 HD22 LEU A 44 3.258 -4.496 9.304 1.00 0.00 H -ATOM 762 HD23 LEU A 44 2.211 -3.405 8.391 1.00 0.00 H -ATOM 763 N ARG A 45 7.404 -3.988 10.918 1.00 0.00 N -ATOM 764 CA ARG A 45 8.579 -4.502 11.527 1.00 0.00 C -ATOM 765 C ARG A 45 8.814 -5.932 11.043 1.00 0.00 C -ATOM 766 O ARG A 45 7.945 -6.802 11.185 1.00 0.00 O -ATOM 767 CB ARG A 45 8.421 -4.474 13.047 1.00 0.00 C -ATOM 768 CG ARG A 45 7.965 -3.129 13.635 1.00 0.00 C -ATOM 769 CD ARG A 45 8.859 -1.957 13.224 1.00 0.00 C -ATOM 770 NE ARG A 45 10.252 -2.144 13.622 1.00 0.00 N -ATOM 771 CZ ARG A 45 11.051 -1.202 14.142 1.00 0.00 C -ATOM 772 NH1 ARG A 45 10.587 0.018 14.428 1.00 0.00 N -ATOM 773 NH2 ARG A 45 12.311 -1.485 14.371 1.00 0.00 N -ATOM 774 H ARG A 45 6.546 -4.159 11.364 1.00 0.00 H -ATOM 775 HA ARG A 45 9.411 -3.874 11.248 1.00 0.00 H -ATOM 776 HB2 ARG A 45 7.697 -5.225 13.325 1.00 0.00 H -ATOM 777 HB3 ARG A 45 9.368 -4.735 13.484 1.00 0.00 H -ATOM 778 HG2 ARG A 45 6.960 -2.922 13.299 1.00 0.00 H -ATOM 779 HG3 ARG A 45 7.966 -3.210 14.713 1.00 0.00 H -ATOM 780 HD2 ARG A 45 8.819 -1.849 12.151 1.00 0.00 H -ATOM 781 HD3 ARG A 45 8.482 -1.055 13.682 1.00 0.00 H -ATOM 782 HE ARG A 45 10.617 -3.045 13.456 1.00 0.00 H -ATOM 783 HH11 ARG A 45 9.638 0.298 14.264 1.00 0.00 H -ATOM 784 HH12 ARG A 45 11.183 0.715 14.838 1.00 0.00 H -ATOM 785 HH21 ARG A 45 12.687 -2.394 14.158 1.00 0.00 H -ATOM 786 HH22 ARG A 45 12.957 -0.817 14.748 1.00 0.00 H -ATOM 787 N GLY A 46 9.956 -6.169 10.437 1.00 0.00 N -ATOM 788 CA GLY A 46 10.268 -7.500 9.946 1.00 0.00 C -ATOM 789 C GLY A 46 9.775 -7.712 8.534 1.00 0.00 C -ATOM 790 O GLY A 46 9.651 -8.838 8.068 1.00 0.00 O -ATOM 791 H GLY A 46 10.606 -5.440 10.313 1.00 0.00 H -ATOM 792 HA2 GLY A 46 11.338 -7.642 9.969 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.803 -8.231 10.592 1.00 0.00 H -ATOM 794 N MET A 47 9.470 -6.638 7.874 1.00 0.00 N -ATOM 795 CA MET A 47 9.013 -6.664 6.506 1.00 0.00 C -ATOM 796 C MET A 47 9.895 -5.743 5.709 1.00 0.00 C -ATOM 797 O MET A 47 10.135 -4.614 6.152 1.00 0.00 O -ATOM 798 CB MET A 47 7.555 -6.203 6.410 1.00 0.00 C -ATOM 799 CG MET A 47 6.522 -7.198 6.929 1.00 0.00 C -ATOM 800 SD MET A 47 6.318 -8.642 5.851 1.00 0.00 S -ATOM 801 CE MET A 47 5.677 -7.871 4.351 1.00 0.00 C -ATOM 802 H MET A 47 9.582 -5.766 8.306 1.00 0.00 H -ATOM 803 HA MET A 47 9.101 -7.676 6.139 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.457 -5.295 6.984 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.334 -5.985 5.377 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.840 -7.541 7.902 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.571 -6.698 7.023 1.00 0.00 H -ATOM 808 HE1 MET A 47 6.402 -7.179 3.950 1.00 0.00 H -ATOM 809 HE2 MET A 47 4.768 -7.334 4.580 1.00 0.00 H -ATOM 810 HE3 MET A 47 5.461 -8.629 3.612 1.00 0.00 H -ATOM 811 N PRO A 48 10.413 -6.203 4.550 1.00 0.00 N -ATOM 812 CA PRO A 48 11.320 -5.416 3.706 1.00 0.00 C -ATOM 813 C PRO A 48 10.716 -4.085 3.237 1.00 0.00 C -ATOM 814 O PRO A 48 9.986 -4.028 2.239 1.00 0.00 O -ATOM 815 CB PRO A 48 11.635 -6.336 2.514 1.00 0.00 C -ATOM 816 CG PRO A 48 10.576 -7.388 2.540 1.00 0.00 C -ATOM 817 CD PRO A 48 10.164 -7.541 3.977 1.00 0.00 C -ATOM 818 HA PRO A 48 12.232 -5.196 4.242 1.00 0.00 H -ATOM 819 HB2 PRO A 48 11.607 -5.764 1.599 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.618 -6.767 2.641 1.00 0.00 H -ATOM 821 HG2 PRO A 48 9.732 -7.075 1.944 1.00 0.00 H -ATOM 822 HG3 PRO A 48 10.974 -8.318 2.164 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.118 -7.803 4.038 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.770 -8.290 4.466 1.00 0.00 H -ATOM 825 N ASP A 49 10.951 -3.057 4.054 1.00 0.00 N -ATOM 826 CA ASP A 49 10.539 -1.665 3.828 1.00 0.00 C -ATOM 827 C ASP A 49 9.082 -1.544 3.456 1.00 0.00 C -ATOM 828 O ASP A 49 8.702 -0.784 2.562 1.00 0.00 O -ATOM 829 CB ASP A 49 11.455 -0.941 2.834 1.00 0.00 C -ATOM 830 CG ASP A 49 12.875 -0.810 3.350 1.00 0.00 C -ATOM 831 OD1 ASP A 49 13.076 -0.602 4.582 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.823 -0.893 2.541 1.00 0.00 O -ATOM 833 H ASP A 49 11.423 -3.272 4.888 1.00 0.00 H -ATOM 834 HA ASP A 49 10.636 -1.177 4.785 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.480 -1.497 1.908 1.00 0.00 H -ATOM 836 HB3 ASP A 49 11.063 0.047 2.646 1.00 0.00 H -ATOM 837 N CYS A 50 8.263 -2.265 4.177 1.00 0.00 N -ATOM 838 CA CYS A 50 6.849 -2.258 3.945 1.00 0.00 C -ATOM 839 C CYS A 50 6.169 -1.351 4.958 1.00 0.00 C -ATOM 840 O CYS A 50 6.593 -1.269 6.108 1.00 0.00 O -ATOM 841 CB CYS A 50 6.304 -3.675 4.032 1.00 0.00 C -ATOM 842 SG CYS A 50 7.117 -4.851 2.919 1.00 0.00 S -ATOM 843 H CYS A 50 8.635 -2.819 4.896 1.00 0.00 H -ATOM 844 HA CYS A 50 6.664 -1.868 2.959 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.435 -4.036 5.041 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.251 -3.666 3.790 1.00 0.00 H -ATOM 847 HG CYS A 50 8.240 -4.288 2.482 1.00 0.00 H -ATOM 848 N TYR A 51 5.162 -0.654 4.519 1.00 0.00 N -ATOM 849 CA TYR A 51 4.433 0.285 5.335 1.00 0.00 C -ATOM 850 C TYR A 51 2.948 -0.011 5.203 1.00 0.00 C -ATOM 851 O TYR A 51 2.508 -0.556 4.180 1.00 0.00 O -ATOM 852 CB TYR A 51 4.708 1.741 4.885 1.00 0.00 C -ATOM 853 CG TYR A 51 6.163 2.204 4.963 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.120 1.729 4.079 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.570 3.116 5.918 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.434 2.143 4.146 1.00 0.00 C -ATOM 857 CE2 TYR A 51 7.887 3.538 5.992 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.812 3.045 5.100 1.00 0.00 C -ATOM 859 OH TYR A 51 10.129 3.451 5.174 1.00 0.00 O -ATOM 860 H TYR A 51 4.869 -0.775 3.588 1.00 0.00 H -ATOM 861 HA TYR A 51 4.735 0.166 6.364 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.392 1.850 3.859 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.115 2.406 5.496 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.822 1.016 3.324 1.00 0.00 H -ATOM 865 HD2 TYR A 51 5.845 3.501 6.619 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.160 1.756 3.447 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.184 4.251 6.746 1.00 0.00 H -ATOM 868 HH TYR A 51 10.460 3.620 4.285 1.00 0.00 H -ATOM 869 N LYS A 52 2.201 0.325 6.221 1.00 0.00 N -ATOM 870 CA LYS A 52 0.773 0.115 6.248 1.00 0.00 C -ATOM 871 C LYS A 52 0.069 1.431 6.562 1.00 0.00 C -ATOM 872 O LYS A 52 0.532 2.210 7.402 1.00 0.00 O -ATOM 873 CB LYS A 52 0.412 -0.938 7.332 1.00 0.00 C -ATOM 874 CG LYS A 52 0.843 -0.525 8.743 1.00 0.00 C -ATOM 875 CD LYS A 52 0.552 -1.580 9.806 1.00 0.00 C -ATOM 876 CE LYS A 52 1.232 -1.210 11.118 1.00 0.00 C -ATOM 877 NZ LYS A 52 1.035 -2.228 12.172 1.00 0.00 N -ATOM 878 H LYS A 52 2.625 0.745 7.002 1.00 0.00 H -ATOM 879 HA LYS A 52 0.454 -0.252 5.284 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.657 -1.092 7.329 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.900 -1.870 7.090 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.897 -0.295 8.747 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.277 0.367 8.973 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -0.514 -1.631 9.971 1.00 0.00 H -ATOM 885 HD3 LYS A 52 0.905 -2.548 9.485 1.00 0.00 H -ATOM 886 HE2 LYS A 52 2.292 -1.098 10.941 1.00 0.00 H -ATOM 887 HE3 LYS A 52 0.827 -0.267 11.451 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 0.030 -2.345 12.403 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 1.512 -1.945 13.051 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 1.414 -3.155 11.891 1.00 0.00 H -ATOM 891 N ILE A 53 -1.016 1.679 5.907 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.842 2.838 6.180 1.00 0.00 C -ATOM 893 C ILE A 53 -3.246 2.333 6.452 1.00 0.00 C -ATOM 894 O ILE A 53 -3.665 1.329 5.858 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.865 3.861 4.981 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.448 4.389 4.681 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -2.810 5.038 5.271 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.375 5.355 3.514 1.00 0.00 C -ATOM 899 H ILE A 53 -1.293 1.053 5.198 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.462 3.322 7.069 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.237 3.342 4.109 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.094 4.932 5.544 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.213 3.560 4.475 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -2.809 5.714 4.429 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.477 5.570 6.150 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.814 4.676 5.437 1.00 0.00 H -ATOM 907 HD11 ILE A 53 0.654 5.633 3.338 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -0.941 6.240 3.759 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -0.786 4.893 2.629 1.00 0.00 H -ATOM 910 N LYS A 54 -3.952 2.975 7.349 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.298 2.574 7.645 1.00 0.00 C -ATOM 912 C LYS A 54 -6.243 3.743 7.432 1.00 0.00 C -ATOM 913 O LYS A 54 -5.903 4.899 7.733 1.00 0.00 O -ATOM 914 CB LYS A 54 -5.490 1.937 9.060 1.00 0.00 C -ATOM 915 CG LYS A 54 -5.288 2.863 10.254 1.00 0.00 C -ATOM 916 CD LYS A 54 -3.838 3.234 10.461 1.00 0.00 C -ATOM 917 CE LYS A 54 -3.722 4.307 11.492 1.00 0.00 C -ATOM 918 NZ LYS A 54 -2.328 4.755 11.684 1.00 0.00 N -ATOM 919 H LYS A 54 -3.587 3.777 7.777 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.496 1.825 6.899 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -6.498 1.553 9.122 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.806 1.108 9.153 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -5.854 3.766 10.085 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -5.660 2.374 11.142 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -3.300 2.363 10.803 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -3.406 3.584 9.538 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -4.320 5.124 11.119 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -4.135 3.941 12.418 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -2.280 5.502 12.405 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -1.932 5.138 10.804 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -1.724 3.968 11.993 1.00 0.00 H -ATOM 932 N LEU A 55 -7.383 3.450 6.885 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.404 4.425 6.603 1.00 0.00 C -ATOM 934 C LEU A 55 -9.197 4.632 7.912 1.00 0.00 C -ATOM 935 O LEU A 55 -9.481 3.662 8.625 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.279 3.844 5.468 1.00 0.00 C -ATOM 937 CG LEU A 55 -10.052 4.796 4.538 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -10.717 3.989 3.440 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -11.101 5.602 5.269 1.00 0.00 C -ATOM 940 H LEU A 55 -7.563 2.510 6.652 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.944 5.349 6.288 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.639 3.242 4.840 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.993 3.178 5.930 1.00 0.00 H -ATOM 944 HG LEU A 55 -9.349 5.470 4.070 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -9.965 3.479 2.859 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -11.288 4.645 2.800 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -11.376 3.260 3.888 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.829 4.936 5.706 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -11.586 6.258 4.560 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -10.625 6.186 6.042 1.00 0.00 H -ATOM 951 N ARG A 56 -9.515 5.882 8.241 1.00 0.00 N -ATOM 952 CA ARG A 56 -10.146 6.201 9.524 1.00 0.00 C -ATOM 953 C ARG A 56 -11.623 5.809 9.607 1.00 0.00 C -ATOM 954 O ARG A 56 -12.014 5.062 10.514 1.00 0.00 O -ATOM 955 CB ARG A 56 -9.977 7.684 9.885 1.00 0.00 C -ATOM 956 CG ARG A 56 -8.537 8.144 10.099 1.00 0.00 C -ATOM 957 CD ARG A 56 -7.821 7.328 11.165 1.00 0.00 C -ATOM 958 NE ARG A 56 -8.547 7.297 12.446 1.00 0.00 N -ATOM 959 CZ ARG A 56 -8.010 6.911 13.612 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -6.698 6.700 13.709 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -8.778 6.770 14.689 1.00 0.00 N -ATOM 962 H ARG A 56 -9.322 6.608 7.610 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.625 5.622 10.272 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -10.398 8.280 9.090 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -10.535 7.886 10.785 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -7.994 8.039 9.172 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -8.546 9.182 10.396 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -7.698 6.317 10.808 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -6.846 7.760 11.328 1.00 0.00 H -ATOM 970 HE ARG A 56 -9.502 7.532 12.395 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -6.071 6.821 12.937 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -6.274 6.413 14.573 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -9.769 6.940 14.685 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -8.384 6.464 15.561 1.00 0.00 H -ATOM 975 N SER A 57 -12.425 6.331 8.690 1.00 0.00 N -ATOM 976 CA SER A 57 -13.865 6.116 8.678 1.00 0.00 C -ATOM 977 C SER A 57 -14.189 4.628 8.518 1.00 0.00 C -ATOM 978 O SER A 57 -14.773 4.004 9.407 1.00 0.00 O -ATOM 979 CB SER A 57 -14.496 6.949 7.543 1.00 0.00 C -ATOM 980 OG SER A 57 -15.911 6.876 7.550 1.00 0.00 O -ATOM 981 H SER A 57 -12.031 6.894 7.991 1.00 0.00 H -ATOM 982 HA SER A 57 -14.262 6.460 9.623 1.00 0.00 H -ATOM 983 HB2 SER A 57 -14.209 7.982 7.659 1.00 0.00 H -ATOM 984 HB3 SER A 57 -14.132 6.584 6.594 1.00 0.00 H -ATOM 985 HG SER A 57 -16.196 7.317 8.359 1.00 0.00 H -ATOM 986 N SER A 58 -13.816 4.083 7.405 1.00 0.00 N -ATOM 987 CA SER A 58 -13.986 2.696 7.149 1.00 0.00 C -ATOM 988 C SER A 58 -12.638 2.023 7.301 1.00 0.00 C -ATOM 989 O SER A 58 -11.685 2.420 6.635 1.00 0.00 O -ATOM 990 CB SER A 58 -14.571 2.533 5.751 1.00 0.00 C -ATOM 991 OG SER A 58 -13.913 3.407 4.828 1.00 0.00 O -ATOM 992 H SER A 58 -13.395 4.619 6.704 1.00 0.00 H -ATOM 993 HA SER A 58 -14.675 2.295 7.877 1.00 0.00 H -ATOM 994 HB2 SER A 58 -14.442 1.513 5.421 1.00 0.00 H -ATOM 995 HB3 SER A 58 -15.621 2.780 5.772 1.00 0.00 H -ATOM 996 HG SER A 58 -12.982 3.155 4.824 1.00 0.00 H -ATOM 997 N GLY A 59 -12.563 1.042 8.176 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.318 0.391 8.518 1.00 0.00 C -ATOM 999 C GLY A 59 -10.756 -0.498 7.433 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.837 -1.726 7.513 1.00 0.00 O -ATOM 1001 H GLY A 59 -13.391 0.725 8.596 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.585 1.152 8.743 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.473 -0.203 9.407 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.234 0.121 6.419 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.534 -0.549 5.367 1.00 0.00 C -ATOM 1006 C TYR A 60 -8.079 -0.227 5.500 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.716 0.879 5.914 1.00 0.00 O -ATOM 1008 CB TYR A 60 -10.052 -0.147 3.990 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.407 -0.715 3.665 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.569 -0.033 3.986 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.521 -1.941 3.030 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.805 -0.557 3.680 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.753 -2.472 2.723 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.889 -1.778 3.052 1.00 0.00 C -ATOM 1015 OH TYR A 60 -15.124 -2.306 2.747 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.328 1.098 6.392 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.679 -1.611 5.512 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.121 0.930 3.944 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.355 -0.487 3.238 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.495 0.925 4.480 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.624 -2.484 2.776 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.704 -0.016 3.935 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.819 -3.430 2.229 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.582 -1.644 2.212 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.255 -1.166 5.192 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.850 -1.025 5.368 1.00 0.00 C -ATOM 1027 C ARG A 61 -5.150 -1.307 4.062 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.650 -2.074 3.227 1.00 0.00 O -ATOM 1029 CB ARG A 61 -5.390 -2.004 6.437 1.00 0.00 C -ATOM 1030 CG ARG A 61 -6.129 -1.839 7.758 1.00 0.00 C -ATOM 1031 CD ARG A 61 -5.768 -2.922 8.727 1.00 0.00 C -ATOM 1032 NE ARG A 61 -4.354 -2.886 9.075 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -3.690 -3.848 9.715 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -4.335 -4.903 10.230 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -2.394 -3.724 9.874 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.581 -2.009 4.806 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.630 -0.021 5.699 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.555 -3.009 6.079 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -4.334 -1.861 6.616 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -5.870 -0.882 8.188 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -7.193 -1.874 7.568 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -6.376 -2.820 9.612 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -5.987 -3.864 8.249 1.00 0.00 H -ATOM 1044 HE ARG A 61 -3.886 -2.075 8.770 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -5.328 -5.004 10.158 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -3.856 -5.647 10.711 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -1.907 -2.920 9.533 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -1.835 -4.433 10.331 1.00 0.00 H -ATOM 1049 N LEU A 62 -4.033 -0.692 3.873 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.272 -0.870 2.678 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.808 -1.062 3.062 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.287 -0.332 3.907 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.514 0.349 1.749 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.929 0.316 0.325 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.629 1.344 -0.538 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.453 0.630 0.341 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.696 -0.078 4.564 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.624 -1.767 2.189 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.583 0.475 1.661 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.123 1.221 2.252 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.072 -0.661 -0.112 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -4.686 1.122 -0.578 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.222 1.300 -1.537 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.482 2.331 -0.124 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.076 0.660 -0.669 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -0.931 -0.134 0.899 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.309 1.590 0.814 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.179 -2.062 2.473 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.203 -2.405 2.752 1.00 0.00 C -ATOM 1070 C VAL A 63 1.019 -2.320 1.461 1.00 0.00 C -ATOM 1071 O VAL A 63 0.652 -2.929 0.427 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.327 -3.843 3.351 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.780 -4.191 3.654 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.520 -3.987 4.611 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.655 -2.587 1.789 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.589 -1.692 3.466 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.034 -4.544 2.615 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.177 -3.479 4.364 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.359 -4.152 2.744 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 1.834 -5.184 4.075 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.184 -3.276 5.352 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.421 -4.990 5.001 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -1.554 -3.795 4.370 1.00 0.00 H -ATOM 1084 N TYR A 64 2.100 -1.590 1.510 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.947 -1.393 0.358 1.00 0.00 C -ATOM 1086 C TYR A 64 4.404 -1.472 0.749 1.00 0.00 C -ATOM 1087 O TYR A 64 4.731 -1.304 1.910 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.649 -0.035 -0.315 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.792 1.205 0.566 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.035 1.682 0.964 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.678 1.905 0.969 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.150 2.811 1.738 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.783 3.035 1.740 1.00 0.00 C -ATOM 1094 CZ TYR A 64 3.024 3.486 2.123 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.137 4.612 2.900 1.00 0.00 O -ATOM 1096 H TYR A 64 2.357 -1.175 2.366 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.734 -2.179 -0.351 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.315 0.095 -1.154 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.633 -0.058 -0.680 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.921 1.145 0.658 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.704 1.549 0.668 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.127 3.162 2.035 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.887 3.561 2.030 1.00 0.00 H -ATOM 1104 HH TYR A 64 3.826 5.170 2.531 1.00 0.00 H -ATOM 1105 N GLN A 65 5.256 -1.740 -0.196 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.676 -1.718 0.047 1.00 0.00 C -ATOM 1107 C GLN A 65 7.271 -0.526 -0.664 1.00 0.00 C -ATOM 1108 O GLN A 65 6.834 -0.163 -1.758 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.379 -3.015 -0.383 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.283 -3.338 -1.873 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.138 -4.529 -2.289 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.788 -5.271 -3.211 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.288 -4.687 -1.677 1.00 0.00 N -ATOM 1114 H GLN A 65 4.930 -1.928 -1.105 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.822 -1.561 1.105 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.421 -2.930 -0.117 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.951 -3.837 0.172 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.252 -3.551 -2.116 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.607 -2.470 -2.427 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.554 -4.035 -0.989 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.845 -5.448 -1.934 1.00 0.00 H -ATOM 1122 N VAL A 66 8.202 0.114 -0.049 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.841 1.241 -0.658 1.00 0.00 C -ATOM 1124 C VAL A 66 10.159 0.817 -1.244 1.00 0.00 C -ATOM 1125 O VAL A 66 11.090 0.447 -0.518 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.047 2.412 0.342 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.820 3.560 -0.300 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.707 2.913 0.840 1.00 0.00 C -ATOM 1129 H VAL A 66 8.491 -0.190 0.842 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.206 1.581 -1.463 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.609 2.047 1.190 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 9.950 4.352 0.422 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 9.277 3.930 -1.157 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 10.787 3.197 -0.615 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.868 3.706 1.554 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.178 2.101 1.317 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 7.124 3.285 0.012 1.00 0.00 H -ATOM 1138 N ILE A 67 10.241 0.838 -2.545 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.462 0.516 -3.195 1.00 0.00 C -ATOM 1140 C ILE A 67 12.210 1.817 -3.350 1.00 0.00 C -ATOM 1141 O ILE A 67 11.988 2.584 -4.312 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.223 -0.109 -4.592 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.223 -1.273 -4.492 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.548 -0.597 -5.182 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.840 -1.866 -5.831 1.00 0.00 C -ATOM 1146 H ILE A 67 9.469 1.099 -3.096 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.026 -0.165 -2.576 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.815 0.651 -5.241 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.652 -2.060 -3.890 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.323 -0.916 -4.015 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 13.225 0.238 -5.286 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 12.369 -1.037 -6.151 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 12.984 -1.337 -4.528 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 9.147 -2.682 -5.682 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 10.729 -2.225 -6.329 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 9.376 -1.106 -6.442 1.00 0.00 H -ATOM 1157 N ASP A 68 13.076 2.089 -2.404 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.799 3.333 -2.366 1.00 0.00 C -ATOM 1159 C ASP A 68 14.832 3.381 -3.465 1.00 0.00 C -ATOM 1160 O ASP A 68 15.182 4.454 -3.943 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.440 3.551 -0.997 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.609 2.638 -0.702 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 15.388 1.455 -0.357 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 16.760 3.097 -0.803 1.00 0.00 O -ATOM 1165 H ASP A 68 13.225 1.449 -1.673 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.087 4.123 -2.543 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 14.793 4.566 -0.949 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 13.686 3.400 -0.239 1.00 0.00 H -ATOM 1169 N GLU A 69 15.261 2.202 -3.891 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.244 2.032 -4.970 1.00 0.00 C -ATOM 1171 C GLU A 69 15.716 2.647 -6.264 1.00 0.00 C -ATOM 1172 O GLU A 69 16.436 3.320 -6.997 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.408 0.545 -5.263 1.00 0.00 C -ATOM 1174 CG GLU A 69 16.648 -0.349 -4.071 1.00 0.00 C -ATOM 1175 CD GLU A 69 16.576 -1.797 -4.474 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 15.474 -2.320 -4.627 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 17.634 -2.427 -4.689 1.00 0.00 O -ATOM 1178 H GLU A 69 14.916 1.416 -3.418 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.200 2.443 -4.689 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.513 0.194 -5.753 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.235 0.423 -5.947 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 17.629 -0.143 -3.668 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 15.895 -0.159 -3.321 1.00 0.00 H -ATOM 1184 N LYS A 70 14.437 2.426 -6.506 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.803 2.819 -7.751 1.00 0.00 C -ATOM 1186 C LYS A 70 12.915 4.032 -7.581 1.00 0.00 C -ATOM 1187 O LYS A 70 12.348 4.530 -8.560 1.00 0.00 O -ATOM 1188 CB LYS A 70 13.006 1.645 -8.323 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.865 0.477 -8.775 1.00 0.00 C -ATOM 1190 CD LYS A 70 13.014 -0.694 -9.237 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.866 -1.823 -9.804 1.00 0.00 C -ATOM 1192 NZ LYS A 70 14.837 -2.353 -8.823 1.00 0.00 N -ATOM 1193 H LYS A 70 13.908 1.981 -5.811 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.587 3.061 -8.451 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.340 1.281 -7.557 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.426 1.987 -9.168 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.492 0.796 -9.594 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.486 0.157 -7.951 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 12.452 -1.074 -8.396 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.331 -0.353 -10.002 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 13.220 -2.628 -10.119 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 14.406 -1.445 -10.660 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 14.370 -2.675 -7.952 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 15.573 -1.656 -8.591 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 15.335 -3.168 -9.233 1.00 0.00 H -ATOM 1206 N VAL A 71 12.794 4.499 -6.340 1.00 0.00 N -ATOM 1207 CA VAL A 71 11.997 5.689 -5.996 1.00 0.00 C -ATOM 1208 C VAL A 71 10.489 5.405 -6.283 1.00 0.00 C -ATOM 1209 O VAL A 71 9.701 6.285 -6.616 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.527 6.977 -6.770 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 11.845 8.264 -6.306 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.043 7.117 -6.621 1.00 0.00 C -ATOM 1213 H VAL A 71 13.256 4.020 -5.620 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.106 5.838 -4.931 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.305 6.844 -7.820 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 12.257 9.105 -6.842 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.003 8.392 -5.245 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 10.787 8.189 -6.507 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.380 7.990 -7.159 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.529 6.239 -7.018 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.292 7.221 -5.576 1.00 0.00 H -ATOM 1222 N VAL A 72 10.085 4.174 -6.065 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.716 3.790 -6.332 1.00 0.00 C -ATOM 1224 C VAL A 72 8.136 3.000 -5.160 1.00 0.00 C -ATOM 1225 O VAL A 72 8.819 2.194 -4.533 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.571 3.005 -7.690 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.387 1.731 -7.697 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.109 2.701 -8.022 1.00 0.00 C -ATOM 1229 H VAL A 72 10.695 3.508 -5.679 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.154 4.709 -6.407 1.00 0.00 H -ATOM 1231 HB VAL A 72 8.967 3.641 -8.469 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 10.426 1.979 -7.539 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 9.268 1.242 -8.652 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 9.042 1.081 -6.907 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.549 3.622 -8.092 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.690 2.083 -7.242 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 7.058 2.174 -8.964 1.00 0.00 H -ATOM 1238 N VAL A 73 6.918 3.293 -4.851 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.179 2.652 -3.817 1.00 0.00 C -ATOM 1240 C VAL A 73 5.276 1.605 -4.464 1.00 0.00 C -ATOM 1241 O VAL A 73 4.475 1.924 -5.341 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.342 3.699 -3.048 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.489 3.053 -1.994 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.249 4.750 -2.420 1.00 0.00 C -ATOM 1245 H VAL A 73 6.449 3.989 -5.363 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.871 2.175 -3.139 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.699 4.200 -3.757 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 3.919 3.810 -1.477 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 5.120 2.533 -1.288 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.813 2.349 -2.456 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 5.655 5.448 -1.849 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 6.769 5.280 -3.205 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 6.971 4.271 -1.777 1.00 0.00 H -ATOM 1254 N PHE A 74 5.422 0.389 -4.044 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.743 -0.732 -4.640 1.00 0.00 C -ATOM 1256 C PHE A 74 3.679 -1.282 -3.682 1.00 0.00 C -ATOM 1257 O PHE A 74 4.006 -1.843 -2.639 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.808 -1.793 -4.947 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.340 -3.006 -5.678 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 5.226 -2.986 -7.047 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 5.044 -4.176 -5.000 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.824 -4.101 -7.733 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.643 -5.300 -5.683 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.533 -5.261 -7.054 1.00 0.00 C -ATOM 1265 H PHE A 74 6.007 0.215 -3.273 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.287 -0.423 -5.568 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.585 -1.342 -5.546 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.240 -2.114 -4.011 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 5.452 -2.077 -7.582 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.130 -4.201 -3.924 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.743 -4.060 -8.808 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.415 -6.210 -5.146 1.00 0.00 H -ATOM 1273 HZ PHE A 74 4.220 -6.139 -7.599 1.00 0.00 H -ATOM 1274 N VAL A 75 2.422 -1.098 -4.029 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.309 -1.588 -3.223 1.00 0.00 C -ATOM 1276 C VAL A 75 1.127 -3.076 -3.453 1.00 0.00 C -ATOM 1277 O VAL A 75 1.028 -3.528 -4.603 1.00 0.00 O -ATOM 1278 CB VAL A 75 -0.012 -0.833 -3.541 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.181 -1.373 -2.715 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.160 0.659 -3.304 1.00 0.00 C -ATOM 1281 H VAL A 75 2.238 -0.621 -4.870 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.562 -1.438 -2.185 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.242 -0.985 -4.585 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.330 -2.417 -2.950 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -2.082 -0.822 -2.942 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -0.954 -1.275 -1.664 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 -0.767 1.168 -3.524 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 0.940 1.034 -3.950 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.434 0.834 -2.275 1.00 0.00 H -ATOM 1290 N ILE A 76 1.090 -3.838 -2.375 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.002 -5.278 -2.495 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.364 -5.784 -2.025 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.975 -6.639 -2.669 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.084 -5.979 -1.640 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.452 -5.313 -1.820 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.174 -7.446 -2.046 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.510 -5.833 -0.870 1.00 0.00 C -ATOM 1298 H ILE A 76 1.121 -3.422 -1.485 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.155 -5.551 -3.529 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.794 -5.927 -0.600 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 3.796 -5.496 -2.827 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.353 -4.248 -1.665 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 1.255 -7.954 -1.791 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 3.017 -7.905 -1.551 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 2.327 -7.502 -3.114 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 4.634 -6.895 -1.016 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.204 -5.649 0.150 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 5.449 -5.334 -1.057 1.00 0.00 H -ATOM 1309 N SER A 77 -0.850 -5.245 -0.928 1.00 0.00 N -ATOM 1310 CA SER A 77 -2.093 -5.706 -0.350 1.00 0.00 C -ATOM 1311 C SER A 77 -2.973 -4.527 0.016 1.00 0.00 C -ATOM 1312 O SER A 77 -2.478 -3.498 0.487 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.807 -6.563 0.890 1.00 0.00 C -ATOM 1314 OG SER A 77 -0.994 -7.691 0.566 1.00 0.00 O -ATOM 1315 H SER A 77 -0.387 -4.506 -0.479 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.600 -6.317 -1.083 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.286 -5.963 1.622 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.737 -6.913 1.310 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.520 -7.958 1.365 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.252 -4.662 -0.220 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.204 -3.628 0.080 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.570 -4.250 0.425 1.00 0.00 C -ATOM 1323 O VAL A 78 -7.003 -5.225 -0.212 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.313 -2.592 -1.093 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.763 -3.236 -2.391 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.212 -1.429 -0.732 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.603 -5.502 -0.591 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.843 -3.119 0.962 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.318 -2.206 -1.268 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -6.737 -3.681 -2.250 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.058 -4.002 -2.675 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -5.820 -2.488 -3.167 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.818 -0.939 0.145 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -7.211 -1.788 -0.536 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.230 -0.729 -1.554 1.00 0.00 H -ATOM 1336 N GLY A 79 -7.195 -3.749 1.460 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.497 -4.225 1.840 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.594 -4.338 3.323 1.00 0.00 C -ATOM 1339 O GLY A 79 -7.996 -3.544 4.038 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.762 -3.067 2.025 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -9.247 -3.538 1.477 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.658 -5.199 1.405 1.00 0.00 H -ATOM 1343 N LYS A 80 -9.324 -5.290 3.803 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.400 -5.496 5.222 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.402 -6.550 5.628 1.00 0.00 C -ATOM 1346 O LYS A 80 -8.202 -7.542 4.907 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.796 -5.922 5.670 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.904 -4.924 5.375 1.00 0.00 C -ATOM 1349 CD LYS A 80 -13.247 -5.418 5.906 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.258 -5.490 7.432 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -14.504 -6.072 7.965 1.00 0.00 N -ATOM 1352 H LYS A 80 -9.813 -5.881 3.191 1.00 0.00 H -ATOM 1353 HA LYS A 80 -9.143 -4.564 5.704 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -11.049 -6.854 5.189 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.758 -6.081 6.737 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.664 -3.981 5.844 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.975 -4.786 4.306 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -14.020 -4.741 5.578 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.434 -6.403 5.504 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -12.437 -6.104 7.770 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -13.145 -4.490 7.822 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -15.339 -5.525 7.676 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -14.465 -6.087 9.004 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -14.614 -7.058 7.655 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.767 -6.332 6.742 1.00 0.00 N -ATOM 1366 CA ALA A 81 -6.842 -7.281 7.285 1.00 0.00 C -ATOM 1367 C ALA A 81 -7.453 -7.854 8.527 1.00 0.00 C -ATOM 1368 O ALA A 81 -7.473 -7.195 9.581 1.00 0.00 O -ATOM 1369 CB ALA A 81 -5.521 -6.618 7.607 1.00 0.00 C -ATOM 1370 H ALA A 81 -7.936 -5.508 7.245 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.683 -8.067 6.562 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -4.826 -7.358 7.976 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -5.676 -5.876 8.376 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -5.118 -6.152 6.721 1.00 0.00 H -ATOM 1375 N GLU A 82 -7.988 -9.024 8.429 1.00 0.00 N -ATOM 1376 CA GLU A 82 -8.713 -9.581 9.539 1.00 0.00 C -ATOM 1377 C GLU A 82 -8.005 -10.788 10.109 1.00 0.00 C -ATOM 1378 O GLU A 82 -7.990 -10.995 11.315 1.00 0.00 O -ATOM 1379 CB GLU A 82 -10.162 -9.878 9.141 1.00 0.00 C -ATOM 1380 CG GLU A 82 -10.857 -8.650 8.557 1.00 0.00 C -ATOM 1381 CD GLU A 82 -12.336 -8.814 8.355 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -12.754 -9.331 7.315 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -13.111 -8.373 9.231 1.00 0.00 O -ATOM 1384 H GLU A 82 -7.868 -9.545 7.598 1.00 0.00 H -ATOM 1385 HA GLU A 82 -8.722 -8.821 10.309 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -10.168 -10.665 8.403 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -10.714 -10.197 10.012 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -10.691 -7.812 9.216 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -10.400 -8.430 7.603 1.00 0.00 H -ATOM 1390 N ALA A 83 -7.364 -11.541 9.256 1.00 0.00 N -ATOM 1391 CA ALA A 83 -6.635 -12.717 9.676 1.00 0.00 C -ATOM 1392 C ALA A 83 -5.130 -12.458 9.631 1.00 0.00 C -ATOM 1393 O ALA A 83 -4.335 -13.386 9.785 1.00 0.00 O -ATOM 1394 CB ALA A 83 -6.999 -13.898 8.785 1.00 0.00 C -ATOM 1395 H ALA A 83 -7.380 -11.321 8.292 1.00 0.00 H -ATOM 1396 HA ALA A 83 -6.929 -12.951 10.690 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -6.486 -14.783 9.134 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -6.699 -13.687 7.769 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -8.065 -14.062 8.817 1.00 0.00 H -ATOM 1400 N SER A 84 -4.753 -11.180 9.405 1.00 0.00 N -ATOM 1401 CA SER A 84 -3.338 -10.748 9.291 1.00 0.00 C -ATOM 1402 C SER A 84 -2.706 -11.359 8.031 1.00 0.00 C -ATOM 1403 O SER A 84 -1.488 -11.451 7.869 1.00 0.00 O -ATOM 1404 CB SER A 84 -2.563 -11.102 10.566 1.00 0.00 C -ATOM 1405 OG SER A 84 -3.174 -10.481 11.708 1.00 0.00 O -ATOM 1406 H SER A 84 -5.458 -10.508 9.300 1.00 0.00 H -ATOM 1407 HA SER A 84 -3.353 -9.676 9.157 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -2.573 -12.173 10.701 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -1.543 -10.757 10.485 1.00 0.00 H -ATOM 1410 HG SER A 84 -3.518 -11.206 12.247 1.00 0.00 H -ATOM 1411 N GLU A 85 -3.582 -11.638 7.118 1.00 0.00 N -ATOM 1412 CA GLU A 85 -3.329 -12.265 5.867 1.00 0.00 C -ATOM 1413 C GLU A 85 -2.536 -11.341 4.949 1.00 0.00 C -ATOM 1414 O GLU A 85 -1.614 -11.782 4.260 1.00 0.00 O -ATOM 1415 CB GLU A 85 -4.682 -12.673 5.214 1.00 0.00 C -ATOM 1416 CG GLU A 85 -5.676 -11.518 4.905 1.00 0.00 C -ATOM 1417 CD GLU A 85 -6.217 -10.788 6.131 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -5.523 -9.916 6.670 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -7.323 -11.100 6.596 1.00 0.00 O -ATOM 1420 H GLU A 85 -4.503 -11.342 7.294 1.00 0.00 H -ATOM 1421 HA GLU A 85 -2.762 -13.164 6.040 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -4.462 -13.172 4.283 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -5.175 -13.375 5.869 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -5.149 -10.797 4.298 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -6.502 -11.929 4.346 1.00 0.00 H -ATOM 1426 N VAL A 86 -2.851 -10.047 5.017 1.00 0.00 N -ATOM 1427 CA VAL A 86 -2.239 -9.031 4.156 1.00 0.00 C -ATOM 1428 C VAL A 86 -0.716 -8.967 4.288 1.00 0.00 C -ATOM 1429 O VAL A 86 -0.033 -8.576 3.342 1.00 0.00 O -ATOM 1430 CB VAL A 86 -2.836 -7.613 4.381 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -4.327 -7.596 4.065 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -2.577 -7.124 5.802 1.00 0.00 C -ATOM 1433 H VAL A 86 -3.548 -9.787 5.663 1.00 0.00 H -ATOM 1434 HA VAL A 86 -2.459 -9.323 3.139 1.00 0.00 H -ATOM 1435 HB VAL A 86 -2.346 -6.938 3.693 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -4.483 -7.872 3.032 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -4.720 -6.605 4.235 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -4.836 -8.300 4.706 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -1.514 -7.090 5.984 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -3.041 -7.800 6.505 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -2.996 -6.135 5.925 1.00 0.00 H -ATOM 1442 N TYR A 87 -0.194 -9.365 5.446 1.00 0.00 N -ATOM 1443 CA TYR A 87 1.243 -9.335 5.679 1.00 0.00 C -ATOM 1444 C TYR A 87 1.887 -10.513 4.976 1.00 0.00 C -ATOM 1445 O TYR A 87 2.844 -10.362 4.211 1.00 0.00 O -ATOM 1446 CB TYR A 87 1.570 -9.442 7.169 1.00 0.00 C -ATOM 1447 CG TYR A 87 0.930 -8.416 8.071 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 1.311 -7.085 8.038 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 -0.027 -8.799 8.991 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 0.750 -6.168 8.903 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 -0.597 -7.891 9.850 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -0.204 -6.579 9.806 1.00 0.00 C -ATOM 1453 OH TYR A 87 -0.761 -5.672 10.682 1.00 0.00 O -ATOM 1454 H TYR A 87 -0.797 -9.702 6.141 1.00 0.00 H -ATOM 1455 HA TYR A 87 1.643 -8.412 5.289 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 1.250 -10.412 7.518 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 2.641 -9.371 7.288 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 2.057 -6.772 7.323 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 -0.332 -9.833 9.022 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 1.055 -5.133 8.868 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 -1.344 -8.215 10.558 1.00 0.00 H -ATOM 1462 HH TYR A 87 -0.777 -6.101 11.549 1.00 0.00 H -ATOM 1463 N SER A 88 1.327 -11.679 5.225 1.00 0.00 N -ATOM 1464 CA SER A 88 1.820 -12.926 4.701 1.00 0.00 C -ATOM 1465 C SER A 88 1.762 -12.948 3.174 1.00 0.00 C -ATOM 1466 O SER A 88 2.727 -13.349 2.517 1.00 0.00 O -ATOM 1467 CB SER A 88 1.003 -14.051 5.305 1.00 0.00 C -ATOM 1468 OG SER A 88 0.979 -13.906 6.719 1.00 0.00 O -ATOM 1469 H SER A 88 0.538 -11.732 5.805 1.00 0.00 H -ATOM 1470 HA SER A 88 2.846 -13.042 5.018 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -0.006 -14.010 4.922 1.00 0.00 H -ATOM 1472 HB3 SER A 88 1.451 -15.002 5.059 1.00 0.00 H -ATOM 1473 HG SER A 88 0.368 -14.563 7.074 1.00 0.00 H -ATOM 1474 N GLU A 89 0.661 -12.462 2.614 1.00 0.00 N -ATOM 1475 CA GLU A 89 0.506 -12.418 1.167 1.00 0.00 C -ATOM 1476 C GLU A 89 1.510 -11.449 0.555 1.00 0.00 C -ATOM 1477 O GLU A 89 1.978 -11.644 -0.565 1.00 0.00 O -ATOM 1478 CB GLU A 89 -0.897 -11.988 0.773 1.00 0.00 C -ATOM 1479 CG GLU A 89 -2.013 -12.844 1.329 1.00 0.00 C -ATOM 1480 CD GLU A 89 -3.354 -12.427 0.790 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -3.727 -11.254 0.924 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -4.038 -13.261 0.173 1.00 0.00 O -ATOM 1483 H GLU A 89 -0.073 -12.140 3.186 1.00 0.00 H -ATOM 1484 HA GLU A 89 0.695 -13.409 0.782 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -1.055 -10.977 1.117 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -0.968 -11.997 -0.304 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -1.830 -13.874 1.060 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -2.025 -12.749 2.405 1.00 0.00 H -ATOM 1489 N ALA A 90 1.858 -10.424 1.314 1.00 0.00 N -ATOM 1490 CA ALA A 90 2.780 -9.417 0.854 1.00 0.00 C -ATOM 1491 C ALA A 90 4.193 -9.965 0.791 1.00 0.00 C -ATOM 1492 O ALA A 90 4.834 -9.921 -0.261 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.718 -8.172 1.727 1.00 0.00 C -ATOM 1494 H ALA A 90 1.485 -10.362 2.218 1.00 0.00 H -ATOM 1495 HA ALA A 90 2.469 -9.149 -0.144 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 3.369 -7.411 1.323 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 3.035 -8.421 2.729 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 1.703 -7.803 1.754 1.00 0.00 H -ATOM 1499 N VAL A 91 4.661 -10.532 1.897 1.00 0.00 N -ATOM 1500 CA VAL A 91 6.022 -11.049 1.969 1.00 0.00 C -ATOM 1501 C VAL A 91 6.238 -12.205 0.973 1.00 0.00 C -ATOM 1502 O VAL A 91 7.276 -12.290 0.321 1.00 0.00 O -ATOM 1503 CB VAL A 91 6.436 -11.453 3.431 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 5.597 -12.595 3.985 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 7.923 -11.766 3.524 1.00 0.00 C -ATOM 1506 H VAL A 91 4.071 -10.594 2.682 1.00 0.00 H -ATOM 1507 HA VAL A 91 6.662 -10.241 1.643 1.00 0.00 H -ATOM 1508 HB VAL A 91 6.239 -10.596 4.059 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 5.725 -13.471 3.364 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 4.557 -12.306 3.981 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 5.907 -12.820 4.996 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 8.157 -12.585 2.861 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 8.171 -12.043 4.538 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 8.496 -10.896 3.238 1.00 0.00 H -ATOM 1515 N LYS A 92 5.216 -13.028 0.794 1.00 0.00 N -ATOM 1516 CA LYS A 92 5.288 -14.159 -0.124 1.00 0.00 C -ATOM 1517 C LYS A 92 5.160 -13.722 -1.585 1.00 0.00 C -ATOM 1518 O LYS A 92 5.349 -14.525 -2.505 1.00 0.00 O -ATOM 1519 CB LYS A 92 4.262 -15.239 0.236 1.00 0.00 C -ATOM 1520 CG LYS A 92 4.505 -15.902 1.599 1.00 0.00 C -ATOM 1521 CD LYS A 92 5.877 -16.586 1.678 1.00 0.00 C -ATOM 1522 CE LYS A 92 6.009 -17.746 0.692 1.00 0.00 C -ATOM 1523 NZ LYS A 92 5.048 -18.830 0.982 1.00 0.00 N -ATOM 1524 H LYS A 92 4.389 -12.882 1.306 1.00 0.00 H -ATOM 1525 HA LYS A 92 6.277 -14.576 -0.012 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 3.283 -14.784 0.258 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 4.273 -16.007 -0.523 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 4.450 -15.146 2.368 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 3.734 -16.639 1.770 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 6.658 -15.867 1.484 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 6.002 -16.969 2.680 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 5.836 -17.382 -0.310 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 7.013 -18.141 0.754 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 5.235 -19.249 1.915 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 5.129 -19.608 0.295 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 4.065 -18.494 0.976 1.00 0.00 H -ATOM 1537 N ARG A 93 4.789 -12.473 -1.790 1.00 0.00 N -ATOM 1538 CA ARG A 93 4.730 -11.903 -3.119 1.00 0.00 C -ATOM 1539 C ARG A 93 6.102 -11.362 -3.494 1.00 0.00 C -ATOM 1540 O ARG A 93 6.517 -11.410 -4.658 1.00 0.00 O -ATOM 1541 CB ARG A 93 3.654 -10.801 -3.198 1.00 0.00 C -ATOM 1542 CG ARG A 93 3.523 -10.113 -4.555 1.00 0.00 C -ATOM 1543 CD ARG A 93 3.171 -11.095 -5.663 1.00 0.00 C -ATOM 1544 NE ARG A 93 3.021 -10.418 -6.952 1.00 0.00 N -ATOM 1545 CZ ARG A 93 3.076 -10.997 -8.152 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 3.332 -12.289 -8.269 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 2.886 -10.256 -9.225 1.00 0.00 N -ATOM 1548 H ARG A 93 4.539 -11.917 -1.020 1.00 0.00 H -ATOM 1549 HA ARG A 93 4.485 -12.696 -3.804 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 2.696 -11.237 -2.956 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 3.885 -10.050 -2.456 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 2.748 -9.364 -4.497 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 4.463 -9.636 -4.794 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 3.960 -11.826 -5.741 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 2.242 -11.588 -5.414 1.00 0.00 H -ATOM 1556 HE ARG A 93 2.848 -9.443 -6.929 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 3.498 -12.871 -7.469 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 3.365 -12.754 -9.157 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 2.702 -9.273 -9.105 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 2.903 -10.599 -10.170 1.00 0.00 H -ATOM 1561 N ILE A 94 6.805 -10.890 -2.499 1.00 0.00 N -ATOM 1562 CA ILE A 94 8.131 -10.333 -2.673 1.00 0.00 C -ATOM 1563 C ILE A 94 9.150 -11.458 -2.811 1.00 0.00 C -ATOM 1564 O ILE A 94 9.963 -11.464 -3.744 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.502 -9.454 -1.460 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 7.438 -8.379 -1.271 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 9.882 -8.815 -1.654 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 7.547 -7.641 0.031 1.00 0.00 C -ATOM 1569 H ILE A 94 6.410 -10.910 -1.601 1.00 0.00 H -ATOM 1570 HA ILE A 94 8.140 -9.724 -3.564 1.00 0.00 H -ATOM 1571 HB ILE A 94 8.530 -10.076 -0.579 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 7.522 -7.654 -2.066 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 6.462 -8.841 -1.312 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 10.121 -8.203 -0.797 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 9.872 -8.201 -2.542 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 10.626 -9.590 -1.762 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 8.506 -7.151 0.093 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 7.434 -8.362 0.827 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 6.749 -6.917 0.086 1.00 0.00 H -ATOM 1580 N LEU A 95 9.083 -12.402 -1.895 1.00 0.00 N -ATOM 1581 CA LEU A 95 9.984 -13.536 -1.860 1.00 0.00 C -ATOM 1582 C LEU A 95 9.647 -14.512 -2.959 1.00 0.00 C -ATOM 1583 O LEU A 95 10.494 -14.752 -3.842 1.00 0.00 O -ATOM 1584 CB LEU A 95 9.938 -14.240 -0.504 1.00 0.00 C -ATOM 1585 CG LEU A 95 10.361 -13.418 0.714 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 10.264 -14.260 1.972 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 11.773 -12.877 0.541 1.00 0.00 C -ATOM 1588 OXT LEU A 95 8.511 -15.008 -2.988 1.00 0.00 O -ATOM 1589 H LEU A 95 8.380 -12.355 -1.209 1.00 0.00 H -ATOM 1590 HA LEU A 95 10.986 -13.167 -2.025 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 8.926 -14.581 -0.340 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 10.579 -15.106 -0.563 1.00 0.00 H -ATOM 1593 HG LEU A 95 9.686 -12.583 0.822 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 10.911 -15.121 1.882 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 9.245 -14.589 2.110 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 10.568 -13.669 2.823 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 12.056 -12.331 1.428 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 11.802 -12.210 -0.309 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 12.460 -13.695 0.383 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 5 -ATOM 1 N MET A 1 11.222 15.419 -2.426 1.00 0.00 N -ATOM 2 CA MET A 1 11.152 14.569 -3.604 1.00 0.00 C -ATOM 3 C MET A 1 10.014 13.597 -3.449 1.00 0.00 C -ATOM 4 O MET A 1 9.766 13.091 -2.351 1.00 0.00 O -ATOM 5 CB MET A 1 12.478 13.808 -3.855 1.00 0.00 C -ATOM 6 CG MET A 1 12.874 12.805 -2.770 1.00 0.00 C -ATOM 7 SD MET A 1 14.447 11.981 -3.114 1.00 0.00 S -ATOM 8 CE MET A 1 14.080 11.130 -4.648 1.00 0.00 C -ATOM 9 H MET A 1 11.985 16.119 -2.491 1.00 0.00 H -ATOM 10 HA MET A 1 10.942 15.210 -4.446 1.00 0.00 H -ATOM 11 HB2 MET A 1 12.383 13.265 -4.784 1.00 0.00 H -ATOM 12 HB3 MET A 1 13.279 14.525 -3.961 1.00 0.00 H -ATOM 13 HG2 MET A 1 12.953 13.321 -1.825 1.00 0.00 H -ATOM 14 HG3 MET A 1 12.101 12.055 -2.699 1.00 0.00 H -ATOM 15 HE1 MET A 1 14.941 10.556 -4.956 1.00 0.00 H -ATOM 16 HE2 MET A 1 13.846 11.853 -5.417 1.00 0.00 H -ATOM 17 HE3 MET A 1 13.239 10.469 -4.503 1.00 0.00 H -ATOM 18 N ALA A 2 9.308 13.368 -4.517 1.00 0.00 N -ATOM 19 CA ALA A 2 8.204 12.464 -4.511 1.00 0.00 C -ATOM 20 C ALA A 2 8.650 11.125 -5.045 1.00 0.00 C -ATOM 21 O ALA A 2 9.600 11.038 -5.839 1.00 0.00 O -ATOM 22 CB ALA A 2 7.057 13.017 -5.343 1.00 0.00 C -ATOM 23 H ALA A 2 9.541 13.815 -5.360 1.00 0.00 H -ATOM 24 HA ALA A 2 7.864 12.347 -3.492 1.00 0.00 H -ATOM 25 HB1 ALA A 2 7.384 13.136 -6.365 1.00 0.00 H -ATOM 26 HB2 ALA A 2 6.755 13.976 -4.949 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.222 12.333 -5.309 1.00 0.00 H -ATOM 28 N TYR A 3 8.012 10.100 -4.592 1.00 0.00 N -ATOM 29 CA TYR A 3 8.286 8.762 -5.038 1.00 0.00 C -ATOM 30 C TYR A 3 7.191 8.360 -6.000 1.00 0.00 C -ATOM 31 O TYR A 3 6.126 8.973 -6.009 1.00 0.00 O -ATOM 32 CB TYR A 3 8.344 7.785 -3.844 1.00 0.00 C -ATOM 33 CG TYR A 3 9.458 8.063 -2.831 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.461 9.230 -2.078 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.500 7.155 -2.628 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.444 9.497 -1.160 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.499 7.417 -1.694 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.460 8.596 -0.966 1.00 0.00 C -ATOM 39 OH TYR A 3 12.432 8.872 -0.028 1.00 0.00 O -ATOM 40 H TYR A 3 7.311 10.243 -3.919 1.00 0.00 H -ATOM 41 HA TYR A 3 9.235 8.764 -5.552 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.406 7.833 -3.310 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.480 6.783 -4.222 1.00 0.00 H -ATOM 44 HD1 TYR A 3 8.662 9.943 -2.224 1.00 0.00 H -ATOM 45 HD2 TYR A 3 10.526 6.238 -3.200 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.411 10.415 -0.594 1.00 0.00 H -ATOM 47 HE2 TYR A 3 12.300 6.709 -1.545 1.00 0.00 H -ATOM 48 HH TYR A 3 13.301 8.680 -0.410 1.00 0.00 H -ATOM 49 N PHE A 4 7.449 7.380 -6.815 1.00 0.00 N -ATOM 50 CA PHE A 4 6.464 6.893 -7.767 1.00 0.00 C -ATOM 51 C PHE A 4 5.501 5.951 -7.077 1.00 0.00 C -ATOM 52 O PHE A 4 5.800 5.448 -6.012 1.00 0.00 O -ATOM 53 CB PHE A 4 7.158 6.187 -8.932 1.00 0.00 C -ATOM 54 CG PHE A 4 7.948 7.104 -9.813 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.320 7.809 -10.821 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.312 7.260 -9.639 1.00 0.00 C -ATOM 57 CE1 PHE A 4 8.031 8.653 -11.641 1.00 0.00 C -ATOM 58 CE2 PHE A 4 10.030 8.104 -10.458 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.384 8.803 -11.460 1.00 0.00 C -ATOM 60 H PHE A 4 8.332 6.946 -6.779 1.00 0.00 H -ATOM 61 HA PHE A 4 5.916 7.744 -8.146 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.847 5.462 -8.526 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.428 5.671 -9.537 1.00 0.00 H -ATOM 64 HD1 PHE A 4 6.256 7.694 -10.963 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.815 6.713 -8.856 1.00 0.00 H -ATOM 66 HE1 PHE A 4 7.527 9.197 -12.426 1.00 0.00 H -ATOM 67 HE2 PHE A 4 11.093 8.221 -10.313 1.00 0.00 H -ATOM 68 HZ PHE A 4 9.939 9.467 -12.107 1.00 0.00 H -ATOM 69 N LEU A 5 4.354 5.732 -7.660 1.00 0.00 N -ATOM 70 CA LEU A 5 3.374 4.823 -7.091 1.00 0.00 C -ATOM 71 C LEU A 5 3.003 3.786 -8.153 1.00 0.00 C -ATOM 72 O LEU A 5 2.673 4.147 -9.297 1.00 0.00 O -ATOM 73 CB LEU A 5 2.117 5.625 -6.632 1.00 0.00 C -ATOM 74 CG LEU A 5 1.144 4.972 -5.595 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.483 3.706 -6.095 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.843 4.704 -4.281 1.00 0.00 C -ATOM 77 H LEU A 5 4.140 6.203 -8.495 1.00 0.00 H -ATOM 78 HA LEU A 5 3.820 4.328 -6.241 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.460 6.559 -6.214 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.548 5.857 -7.521 1.00 0.00 H -ATOM 81 HG LEU A 5 0.352 5.679 -5.398 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.144 3.925 -6.946 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.101 3.281 -5.292 1.00 0.00 H -ATOM 84 HD13 LEU A 5 1.251 3.000 -6.379 1.00 0.00 H -ATOM 85 HD21 LEU A 5 1.168 4.186 -3.619 1.00 0.00 H -ATOM 86 HD22 LEU A 5 2.133 5.638 -3.823 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.716 4.092 -4.451 1.00 0.00 H -ATOM 88 N ASP A 6 3.087 2.524 -7.802 1.00 0.00 N -ATOM 89 CA ASP A 6 2.708 1.455 -8.712 1.00 0.00 C -ATOM 90 C ASP A 6 1.950 0.389 -7.944 1.00 0.00 C -ATOM 91 O ASP A 6 2.107 0.266 -6.728 1.00 0.00 O -ATOM 92 CB ASP A 6 3.938 0.854 -9.405 1.00 0.00 C -ATOM 93 CG ASP A 6 3.577 -0.114 -10.516 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.769 0.260 -11.410 1.00 0.00 O -ATOM 95 OD2 ASP A 6 4.104 -1.227 -10.543 1.00 0.00 O -ATOM 96 H ASP A 6 3.408 2.285 -6.901 1.00 0.00 H -ATOM 97 HA ASP A 6 2.048 1.878 -9.453 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.562 1.637 -9.810 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.484 0.307 -8.653 1.00 0.00 H -ATOM 100 N PHE A 7 1.130 -0.356 -8.626 1.00 0.00 N -ATOM 101 CA PHE A 7 0.301 -1.371 -7.994 1.00 0.00 C -ATOM 102 C PHE A 7 0.670 -2.752 -8.497 1.00 0.00 C -ATOM 103 O PHE A 7 1.005 -2.929 -9.678 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.190 -1.150 -8.305 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.802 0.128 -7.795 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -2.389 0.174 -6.543 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -1.822 1.269 -8.582 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.981 1.335 -6.083 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.409 2.432 -8.127 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.990 2.465 -6.876 1.00 0.00 C -ATOM 111 H PHE A 7 1.105 -0.238 -9.598 1.00 0.00 H -ATOM 112 HA PHE A 7 0.441 -1.319 -6.926 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.320 -1.155 -9.377 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.747 -1.978 -7.892 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -2.377 -0.708 -5.921 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -1.367 1.244 -9.562 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -3.436 1.358 -5.104 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -2.413 3.315 -8.749 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.452 3.374 -6.520 1.00 0.00 H -ATOM 120 N ASP A 8 0.623 -3.711 -7.616 1.00 0.00 N -ATOM 121 CA ASP A 8 0.796 -5.110 -7.971 1.00 0.00 C -ATOM 122 C ASP A 8 -0.484 -5.627 -8.613 1.00 0.00 C -ATOM 123 O ASP A 8 -1.559 -5.050 -8.397 1.00 0.00 O -ATOM 124 CB ASP A 8 1.140 -5.966 -6.747 1.00 0.00 C -ATOM 125 CG ASP A 8 1.351 -7.415 -7.118 1.00 0.00 C -ATOM 126 OD1 ASP A 8 2.413 -7.751 -7.692 1.00 0.00 O -ATOM 127 OD2 ASP A 8 0.440 -8.224 -6.914 1.00 0.00 O -ATOM 128 H ASP A 8 0.492 -3.491 -6.666 1.00 0.00 H -ATOM 129 HA ASP A 8 1.596 -5.177 -8.694 1.00 0.00 H -ATOM 130 HB2 ASP A 8 2.045 -5.593 -6.293 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.329 -5.909 -6.036 1.00 0.00 H -ATOM 132 N GLU A 9 -0.372 -6.679 -9.414 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.510 -7.290 -10.078 1.00 0.00 C -ATOM 134 C GLU A 9 -2.612 -7.652 -9.063 1.00 0.00 C -ATOM 135 O GLU A 9 -3.795 -7.481 -9.360 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.077 -8.554 -10.841 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.500 -9.642 -9.948 1.00 0.00 C -ATOM 138 CD GLU A 9 -0.182 -10.911 -10.674 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -1.091 -11.727 -10.891 1.00 0.00 O -ATOM 140 OE2 GLU A 9 0.987 -11.134 -11.020 1.00 0.00 O -ATOM 141 H GLU A 9 0.519 -7.065 -9.546 1.00 0.00 H -ATOM 142 HA GLU A 9 -1.908 -6.577 -10.784 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -1.937 -8.961 -11.352 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.329 -8.281 -11.571 1.00 0.00 H -ATOM 145 HG2 GLU A 9 0.410 -9.274 -9.497 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -1.217 -9.855 -9.168 1.00 0.00 H -ATOM 147 N ARG A 10 -2.219 -8.106 -7.856 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.186 -8.467 -6.822 1.00 0.00 C -ATOM 149 C ARG A 10 -3.844 -7.222 -6.300 1.00 0.00 C -ATOM 150 O ARG A 10 -5.064 -7.150 -6.177 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.531 -9.186 -5.643 1.00 0.00 C -ATOM 152 CG ARG A 10 -1.811 -10.473 -5.976 1.00 0.00 C -ATOM 153 CD ARG A 10 -1.319 -11.128 -4.700 1.00 0.00 C -ATOM 154 NE ARG A 10 -0.534 -12.346 -4.940 1.00 0.00 N -ATOM 155 CZ ARG A 10 -0.351 -13.318 -4.033 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -1.081 -13.343 -2.920 1.00 0.00 N -ATOM 157 NH2 ARG A 10 0.508 -14.304 -4.275 1.00 0.00 N -ATOM 158 H ARG A 10 -1.255 -8.190 -7.653 1.00 0.00 H -ATOM 159 HA ARG A 10 -3.931 -9.113 -7.263 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.812 -8.518 -5.193 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.297 -9.403 -4.915 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -2.495 -11.135 -6.485 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -0.966 -10.254 -6.613 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -0.706 -10.421 -4.160 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -2.180 -11.381 -4.099 1.00 0.00 H -ATOM 166 HE ARG A 10 -0.094 -12.383 -5.821 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -1.796 -12.660 -2.711 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -0.947 -14.055 -2.226 1.00 0.00 H -ATOM 169 HH21 ARG A 10 1.032 -14.361 -5.128 1.00 0.00 H -ATOM 170 HH22 ARG A 10 0.693 -15.036 -3.610 1.00 0.00 H -ATOM 171 N ALA A 11 -3.020 -6.219 -6.053 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.463 -4.950 -5.511 1.00 0.00 C -ATOM 173 C ALA A 11 -4.487 -4.285 -6.411 1.00 0.00 C -ATOM 174 O ALA A 11 -5.393 -3.644 -5.929 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.283 -4.029 -5.278 1.00 0.00 C -ATOM 176 H ALA A 11 -2.068 -6.346 -6.248 1.00 0.00 H -ATOM 177 HA ALA A 11 -3.925 -5.153 -4.557 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.567 -4.506 -4.626 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -2.627 -3.109 -4.828 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -1.812 -3.811 -6.226 1.00 0.00 H -ATOM 181 N LEU A 12 -4.360 -4.487 -7.716 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.282 -3.900 -8.672 1.00 0.00 C -ATOM 183 C LEU A 12 -6.648 -4.535 -8.591 1.00 0.00 C -ATOM 184 O LEU A 12 -7.667 -3.854 -8.704 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.735 -4.001 -10.083 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.628 -3.021 -10.447 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.077 -3.350 -11.820 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.165 -1.589 -10.430 1.00 0.00 C -ATOM 189 H LEU A 12 -3.631 -5.058 -8.042 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.385 -2.856 -8.418 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.358 -5.004 -10.219 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.561 -3.859 -10.759 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.828 -3.092 -9.726 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -2.673 -4.352 -11.815 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.299 -2.646 -12.071 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -3.873 -3.286 -12.546 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -4.519 -1.331 -9.443 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -4.989 -1.511 -11.125 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -3.382 -0.907 -10.722 1.00 0.00 H -ATOM 200 N LYS A 13 -6.663 -5.824 -8.355 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.902 -6.575 -8.258 1.00 0.00 C -ATOM 202 C LYS A 13 -8.634 -6.132 -7.009 1.00 0.00 C -ATOM 203 O LYS A 13 -9.838 -5.861 -7.035 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.589 -8.061 -8.157 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.722 -8.577 -9.279 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.228 -9.971 -8.983 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.241 -10.457 -10.033 1.00 0.00 C -ATOM 208 NZ LYS A 13 -5.808 -10.445 -11.400 1.00 0.00 N -ATOM 209 H LYS A 13 -5.810 -6.287 -8.225 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.499 -6.385 -9.137 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -7.082 -8.243 -7.222 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.518 -8.613 -8.164 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.296 -8.590 -10.193 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -5.872 -7.920 -9.394 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.710 -9.910 -8.036 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -7.064 -10.651 -8.913 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -4.375 -9.813 -10.018 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -4.942 -11.463 -9.781 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -6.679 -11.010 -11.454 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -5.138 -10.850 -12.084 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -6.029 -9.482 -11.720 1.00 0.00 H -ATOM 222 N GLU A 14 -7.879 -6.000 -5.932 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.413 -5.577 -4.671 1.00 0.00 C -ATOM 224 C GLU A 14 -8.870 -4.131 -4.738 1.00 0.00 C -ATOM 225 O GLU A 14 -9.900 -3.796 -4.211 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.378 -5.768 -3.577 1.00 0.00 C -ATOM 227 CG GLU A 14 -6.887 -7.196 -3.465 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.008 -8.166 -3.212 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -8.409 -8.351 -2.052 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -8.532 -8.746 -4.161 1.00 0.00 O -ATOM 231 H GLU A 14 -6.925 -6.227 -5.981 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.264 -6.205 -4.452 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.532 -5.130 -3.787 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -7.810 -5.481 -2.631 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -6.413 -7.459 -4.399 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.164 -7.260 -2.669 1.00 0.00 H -ATOM 237 N TRP A 15 -8.105 -3.307 -5.426 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.396 -1.884 -5.607 1.00 0.00 C -ATOM 239 C TRP A 15 -9.742 -1.710 -6.337 1.00 0.00 C -ATOM 240 O TRP A 15 -10.547 -0.828 -6.008 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.238 -1.258 -6.402 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.261 0.222 -6.558 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.585 0.921 -7.679 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.911 1.189 -5.565 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.463 2.266 -7.442 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.051 2.456 -6.151 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.495 1.105 -4.232 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.788 3.630 -5.457 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.237 2.271 -3.547 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.383 3.516 -4.159 1.00 0.00 C -ATOM 251 H TRP A 15 -7.276 -3.655 -5.824 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.454 -1.417 -4.634 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.313 -1.496 -5.895 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.219 -1.703 -7.386 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -7.887 0.462 -8.609 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.641 2.980 -8.089 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.377 0.149 -3.742 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.894 4.602 -5.913 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.913 2.230 -2.518 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.168 4.402 -3.580 1.00 0.00 H -ATOM 261 N ARG A 16 -9.991 -2.578 -7.296 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.247 -2.578 -8.026 1.00 0.00 C -ATOM 263 C ARG A 16 -12.376 -3.117 -7.154 1.00 0.00 C -ATOM 264 O ARG A 16 -13.491 -2.611 -7.189 1.00 0.00 O -ATOM 265 CB ARG A 16 -11.119 -3.417 -9.289 1.00 0.00 C -ATOM 266 CG ARG A 16 -10.232 -2.805 -10.355 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.965 -3.784 -11.486 1.00 0.00 C -ATOM 268 NE ARG A 16 -11.199 -4.354 -12.049 1.00 0.00 N -ATOM 269 CZ ARG A 16 -11.573 -4.286 -13.335 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -10.914 -3.502 -14.191 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -12.631 -4.968 -13.753 1.00 0.00 N -ATOM 272 H ARG A 16 -9.295 -3.235 -7.523 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.473 -1.559 -8.306 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.703 -4.376 -9.017 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -12.104 -3.566 -9.708 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.722 -1.932 -10.760 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -9.292 -2.519 -9.908 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.421 -3.279 -12.269 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -9.360 -4.589 -11.096 1.00 0.00 H -ATOM 280 HE ARG A 16 -11.729 -4.876 -11.399 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -10.137 -2.941 -13.903 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -11.164 -3.442 -15.162 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -13.176 -5.539 -13.134 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -12.929 -4.953 -14.710 1.00 0.00 H -ATOM 285 N LYS A 17 -12.061 -4.116 -6.359 1.00 0.00 N -ATOM 286 CA LYS A 17 -13.017 -4.769 -5.462 1.00 0.00 C -ATOM 287 C LYS A 17 -13.326 -3.878 -4.229 1.00 0.00 C -ATOM 288 O LYS A 17 -14.312 -4.089 -3.500 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.457 -6.184 -5.109 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.258 -7.066 -4.137 1.00 0.00 C -ATOM 291 CD LYS A 17 -12.938 -6.782 -2.665 1.00 0.00 C -ATOM 292 CE LYS A 17 -11.473 -7.084 -2.317 1.00 0.00 C -ATOM 293 NZ LYS A 17 -11.094 -8.496 -2.579 1.00 0.00 N -ATOM 294 H LYS A 17 -11.137 -4.452 -6.384 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.938 -4.888 -6.015 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -12.370 -6.735 -6.034 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.461 -6.051 -4.714 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -14.310 -6.883 -4.296 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -13.045 -8.103 -4.351 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -13.134 -5.737 -2.469 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -13.585 -7.385 -2.046 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -10.820 -6.435 -2.881 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -11.328 -6.880 -1.266 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -11.639 -9.156 -1.988 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -10.075 -8.614 -2.369 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -11.222 -8.738 -3.584 1.00 0.00 H -ATOM 307 N LEU A 18 -12.485 -2.901 -4.007 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.695 -1.939 -2.958 1.00 0.00 C -ATOM 309 C LEU A 18 -13.762 -0.957 -3.351 1.00 0.00 C -ATOM 310 O LEU A 18 -13.946 -0.661 -4.543 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.416 -1.170 -2.616 1.00 0.00 C -ATOM 312 CG LEU A 18 -10.753 -1.485 -1.269 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -11.724 -1.311 -0.125 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -10.123 -2.865 -1.246 1.00 0.00 C -ATOM 315 H LEU A 18 -11.679 -2.838 -4.563 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.017 -2.479 -2.083 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.694 -1.362 -3.395 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.656 -0.117 -2.633 1.00 0.00 H -ATOM 319 HG LEU A 18 -9.983 -0.748 -1.112 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -11.210 -1.480 0.810 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -12.527 -2.026 -0.212 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -12.121 -0.308 -0.139 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.374 -2.929 -2.022 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -10.885 -3.609 -1.418 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.661 -3.038 -0.287 1.00 0.00 H -ATOM 326 N GLY A 19 -14.463 -0.468 -2.357 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.466 0.520 -2.561 1.00 0.00 C -ATOM 328 C GLY A 19 -14.859 1.792 -3.077 1.00 0.00 C -ATOM 329 O GLY A 19 -13.786 2.193 -2.601 1.00 0.00 O -ATOM 330 H GLY A 19 -14.294 -0.789 -1.447 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.233 0.160 -3.230 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -15.872 0.717 -1.582 1.00 0.00 H -ATOM 333 N SER A 20 -15.531 2.424 -4.025 1.00 0.00 N -ATOM 334 CA SER A 20 -15.070 3.642 -4.672 1.00 0.00 C -ATOM 335 C SER A 20 -14.671 4.699 -3.642 1.00 0.00 C -ATOM 336 O SER A 20 -13.592 5.251 -3.701 1.00 0.00 O -ATOM 337 CB SER A 20 -16.185 4.169 -5.564 1.00 0.00 C -ATOM 338 OG SER A 20 -16.644 3.142 -6.438 1.00 0.00 O -ATOM 339 H SER A 20 -16.391 2.060 -4.324 1.00 0.00 H -ATOM 340 HA SER A 20 -14.218 3.402 -5.291 1.00 0.00 H -ATOM 341 HB2 SER A 20 -17.008 4.502 -4.949 1.00 0.00 H -ATOM 342 HB3 SER A 20 -15.817 4.993 -6.157 1.00 0.00 H -ATOM 343 HG SER A 20 -16.499 3.470 -7.336 1.00 0.00 H -ATOM 344 N THR A 21 -15.514 4.881 -2.664 1.00 0.00 N -ATOM 345 CA THR A 21 -15.319 5.858 -1.617 1.00 0.00 C -ATOM 346 C THR A 21 -14.061 5.543 -0.796 1.00 0.00 C -ATOM 347 O THR A 21 -13.248 6.427 -0.512 1.00 0.00 O -ATOM 348 CB THR A 21 -16.547 5.849 -0.706 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.718 6.058 -1.520 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.453 6.929 0.357 1.00 0.00 C -ATOM 351 H THR A 21 -16.313 4.316 -2.649 1.00 0.00 H -ATOM 352 HA THR A 21 -15.232 6.836 -2.064 1.00 0.00 H -ATOM 353 HB THR A 21 -16.618 4.878 -0.237 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.422 6.476 -2.341 1.00 0.00 H -ATOM 355 HG21 THR A 21 -15.582 6.758 0.973 1.00 0.00 H -ATOM 356 HG22 THR A 21 -17.339 6.925 0.973 1.00 0.00 H -ATOM 357 HG23 THR A 21 -16.355 7.883 -0.138 1.00 0.00 H -ATOM 358 N VAL A 22 -13.895 4.274 -0.480 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.786 3.811 0.328 1.00 0.00 C -ATOM 360 C VAL A 22 -11.492 3.966 -0.443 1.00 0.00 C -ATOM 361 O VAL A 22 -10.508 4.510 0.068 1.00 0.00 O -ATOM 362 CB VAL A 22 -12.970 2.329 0.722 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -11.811 1.843 1.569 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.281 2.129 1.457 1.00 0.00 C -ATOM 365 H VAL A 22 -14.533 3.617 -0.831 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.745 4.410 1.227 1.00 0.00 H -ATOM 367 HB VAL A 22 -12.996 1.744 -0.185 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -11.751 2.438 2.468 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -10.891 1.938 1.011 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -11.966 0.808 1.837 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.387 1.088 1.726 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -15.102 2.423 0.820 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.286 2.733 2.353 1.00 0.00 H -ATOM 374 N ARG A 23 -11.509 3.529 -1.685 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.351 3.629 -2.523 1.00 0.00 C -ATOM 376 C ARG A 23 -9.999 5.071 -2.837 1.00 0.00 C -ATOM 377 O ARG A 23 -8.854 5.373 -3.032 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.404 2.764 -3.771 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.552 3.037 -4.695 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.316 2.364 -6.015 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.366 2.666 -6.985 1.00 0.00 N -ATOM 382 CZ ARG A 23 -13.079 1.757 -7.663 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.982 0.456 -7.371 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.908 2.157 -8.613 1.00 0.00 N -ATOM 385 H ARG A 23 -12.334 3.124 -2.039 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.545 3.271 -1.898 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.489 2.904 -4.328 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.459 1.730 -3.459 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.426 2.594 -4.239 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.726 4.097 -4.817 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.368 2.743 -6.372 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -11.248 1.298 -5.864 1.00 0.00 H -ATOM 393 HE ARG A 23 -12.491 3.628 -7.152 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -12.381 0.108 -6.644 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -13.522 -0.232 -7.866 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -14.028 3.123 -8.857 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -14.466 1.507 -9.138 1.00 0.00 H -ATOM 398 N GLU A 24 -10.993 5.945 -2.965 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.721 7.372 -3.147 1.00 0.00 C -ATOM 400 C GLU A 24 -9.949 7.934 -1.974 1.00 0.00 C -ATOM 401 O GLU A 24 -9.013 8.709 -2.164 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.993 8.179 -3.368 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.632 7.939 -4.709 1.00 0.00 C -ATOM 404 CD GLU A 24 -11.710 8.284 -5.842 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -11.603 9.471 -6.198 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -11.058 7.380 -6.394 1.00 0.00 O -ATOM 407 H GLU A 24 -11.927 5.635 -2.963 1.00 0.00 H -ATOM 408 HA GLU A 24 -10.097 7.460 -4.025 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.707 7.918 -2.600 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.755 9.229 -3.284 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -12.889 6.894 -4.779 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -13.525 8.540 -4.787 1.00 0.00 H -ATOM 413 N GLN A 25 -10.318 7.522 -0.768 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.626 7.976 0.432 1.00 0.00 C -ATOM 415 C GLN A 25 -8.198 7.443 0.416 1.00 0.00 C -ATOM 416 O GLN A 25 -7.246 8.180 0.645 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.329 7.494 1.707 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.779 7.847 1.835 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.051 9.305 1.735 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -11.230 10.160 2.112 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.176 9.614 1.211 1.00 0.00 N -ATOM 422 H GLN A 25 -11.073 6.896 -0.695 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.602 9.055 0.417 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.344 6.421 1.664 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.802 7.839 2.584 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -12.328 7.350 1.049 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -12.136 7.493 2.789 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.785 8.907 0.908 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -13.395 10.561 1.144 1.00 0.00 H -ATOM 430 N LEU A 26 -8.069 6.162 0.112 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.773 5.495 0.021 1.00 0.00 C -ATOM 432 C LEU A 26 -5.908 6.123 -1.069 1.00 0.00 C -ATOM 433 O LEU A 26 -4.714 6.308 -0.888 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.971 4.005 -0.245 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.660 3.212 0.875 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.969 1.801 0.419 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.789 3.179 2.125 1.00 0.00 C -ATOM 438 H LEU A 26 -8.884 5.637 -0.046 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.271 5.617 0.970 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.561 3.916 -1.145 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -6.003 3.569 -0.432 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.593 3.694 1.124 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.440 1.259 1.227 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -7.053 1.305 0.136 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.639 1.833 -0.428 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -7.278 2.588 2.886 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -6.642 4.183 2.494 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -5.832 2.737 1.888 1.00 0.00 H -ATOM 449 N LYS A 27 -6.535 6.449 -2.190 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.879 7.126 -3.304 1.00 0.00 C -ATOM 451 C LYS A 27 -5.272 8.442 -2.837 1.00 0.00 C -ATOM 452 O LYS A 27 -4.131 8.744 -3.161 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.901 7.427 -4.395 1.00 0.00 C -ATOM 454 CG LYS A 27 -6.322 8.104 -5.627 1.00 0.00 C -ATOM 455 CD LYS A 27 -7.412 8.670 -6.525 1.00 0.00 C -ATOM 456 CE LYS A 27 -8.058 9.906 -5.896 1.00 0.00 C -ATOM 457 NZ LYS A 27 -9.157 10.446 -6.723 1.00 0.00 N -ATOM 458 H LYS A 27 -7.473 6.175 -2.292 1.00 0.00 H -ATOM 459 HA LYS A 27 -5.109 6.485 -3.709 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -7.346 6.491 -4.702 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.674 8.052 -3.975 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.698 8.917 -5.285 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -5.730 7.389 -6.179 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -6.977 8.946 -7.473 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -8.171 7.916 -6.679 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -8.451 9.646 -4.925 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -7.295 10.663 -5.770 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -9.450 11.385 -6.389 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -10.017 9.856 -6.650 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -8.891 10.525 -7.725 1.00 0.00 H -ATOM 471 N LYS A 28 -6.041 9.202 -2.046 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.566 10.476 -1.485 1.00 0.00 C -ATOM 473 C LYS A 28 -4.319 10.226 -0.679 1.00 0.00 C -ATOM 474 O LYS A 28 -3.345 10.963 -0.776 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.589 11.089 -0.535 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.937 11.429 -1.115 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.851 11.905 0.001 1.00 0.00 C -ATOM 478 CE LYS A 28 -10.248 12.209 -0.487 1.00 0.00 C -ATOM 479 NZ LYS A 28 -11.136 12.563 0.638 1.00 0.00 N -ATOM 480 H LYS A 28 -6.952 8.889 -1.857 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.361 11.166 -2.289 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.751 10.400 0.279 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.158 11.994 -0.131 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.822 12.212 -1.851 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -8.364 10.548 -1.572 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -8.911 11.139 0.760 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.428 12.799 0.434 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -10.205 13.039 -1.178 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.642 11.338 -0.988 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -11.225 11.779 1.319 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -12.094 12.790 0.304 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -10.790 13.395 1.155 1.00 0.00 H -ATOM 493 N LYS A 29 -4.364 9.158 0.103 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.260 8.773 0.945 1.00 0.00 C -ATOM 495 C LYS A 29 -2.033 8.440 0.168 1.00 0.00 C -ATOM 496 O LYS A 29 -0.950 8.822 0.557 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.621 7.665 1.938 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.178 8.161 3.262 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.444 8.968 3.107 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.872 9.546 4.431 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.858 10.477 4.975 1.00 0.00 N -ATOM 502 H LYS A 29 -5.181 8.612 0.104 1.00 0.00 H -ATOM 503 HA LYS A 29 -3.020 9.659 1.503 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.362 7.027 1.481 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.735 7.080 2.136 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.398 7.313 3.893 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.429 8.775 3.739 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -5.261 9.774 2.413 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.229 8.332 2.725 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.814 10.062 4.316 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.981 8.716 5.116 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -4.004 9.951 5.250 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -5.202 10.935 5.842 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.570 11.198 4.277 1.00 0.00 H -ATOM 515 N LEU A 30 -2.204 7.761 -0.929 1.00 0.00 N -ATOM 516 CA LEU A 30 -1.096 7.425 -1.785 1.00 0.00 C -ATOM 517 C LEU A 30 -0.465 8.692 -2.328 1.00 0.00 C -ATOM 518 O LEU A 30 0.743 8.870 -2.264 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.561 6.529 -2.930 1.00 0.00 C -ATOM 520 CG LEU A 30 -2.193 5.205 -2.512 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.631 4.414 -3.727 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.230 4.400 -1.653 1.00 0.00 C -ATOM 523 H LEU A 30 -3.112 7.465 -1.160 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.367 6.890 -1.194 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.283 7.080 -3.516 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.711 6.312 -3.557 1.00 0.00 H -ATOM 527 HG LEU A 30 -3.075 5.414 -1.925 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -1.778 4.222 -4.359 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -3.366 4.978 -4.282 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -3.064 3.477 -3.414 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -0.307 4.236 -2.189 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -1.677 3.445 -1.420 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -1.028 4.935 -0.737 1.00 0.00 H -ATOM 534 N VAL A 31 -1.305 9.595 -2.783 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.855 10.835 -3.371 1.00 0.00 C -ATOM 536 C VAL A 31 -0.122 11.710 -2.344 1.00 0.00 C -ATOM 537 O VAL A 31 0.959 12.240 -2.634 1.00 0.00 O -ATOM 538 CB VAL A 31 -2.043 11.615 -4.000 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -1.581 12.914 -4.618 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -2.734 10.757 -5.036 1.00 0.00 C -ATOM 541 H VAL A 31 -2.270 9.415 -2.712 1.00 0.00 H -ATOM 542 HA VAL A 31 -0.157 10.588 -4.158 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.765 11.844 -3.227 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -2.421 13.416 -5.072 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -0.822 12.716 -5.360 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -1.174 13.536 -3.833 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -2.039 10.492 -5.817 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -3.576 11.295 -5.444 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -3.080 9.864 -4.534 1.00 0.00 H -ATOM 550 N GLU A 32 -0.681 11.834 -1.147 1.00 0.00 N -ATOM 551 CA GLU A 32 -0.048 12.633 -0.106 1.00 0.00 C -ATOM 552 C GLU A 32 1.252 11.979 0.400 1.00 0.00 C -ATOM 553 O GLU A 32 2.306 12.642 0.491 1.00 0.00 O -ATOM 554 CB GLU A 32 -1.012 12.954 1.068 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.586 11.742 1.774 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.309 12.068 3.058 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -1.630 12.295 4.085 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -3.564 12.098 3.082 1.00 0.00 O -ATOM 559 H GLU A 32 -1.543 11.392 -0.967 1.00 0.00 H -ATOM 560 HA GLU A 32 0.235 13.561 -0.583 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.492 13.545 1.805 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.835 13.534 0.677 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -2.296 11.314 1.084 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.793 11.034 1.969 1.00 0.00 H -ATOM 565 N VAL A 33 1.195 10.663 0.622 1.00 0.00 N -ATOM 566 CA VAL A 33 2.280 9.907 1.228 1.00 0.00 C -ATOM 567 C VAL A 33 3.546 9.948 0.386 1.00 0.00 C -ATOM 568 O VAL A 33 4.631 9.905 0.917 1.00 0.00 O -ATOM 569 CB VAL A 33 1.901 8.435 1.597 1.00 0.00 C -ATOM 570 CG1 VAL A 33 1.928 7.490 0.398 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.768 7.927 2.724 1.00 0.00 C -ATOM 572 H VAL A 33 0.380 10.170 0.372 1.00 0.00 H -ATOM 573 HA VAL A 33 2.513 10.433 2.145 1.00 0.00 H -ATOM 574 HB VAL A 33 0.881 8.458 1.951 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.251 7.860 -0.358 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.625 6.499 0.702 1.00 0.00 H -ATOM 577 HG13 VAL A 33 2.928 7.454 -0.009 1.00 0.00 H -ATOM 578 HG21 VAL A 33 3.795 8.023 2.413 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.542 6.889 2.919 1.00 0.00 H -ATOM 580 HG23 VAL A 33 2.602 8.511 3.615 1.00 0.00 H -ATOM 581 N LEU A 34 3.384 10.070 -0.927 1.00 0.00 N -ATOM 582 CA LEU A 34 4.495 10.063 -1.878 1.00 0.00 C -ATOM 583 C LEU A 34 5.605 11.075 -1.562 1.00 0.00 C -ATOM 584 O LEU A 34 6.740 10.865 -1.984 1.00 0.00 O -ATOM 585 CB LEU A 34 3.999 10.269 -3.313 1.00 0.00 C -ATOM 586 CG LEU A 34 3.160 9.140 -3.903 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.696 9.488 -5.303 1.00 0.00 C -ATOM 588 CD2 LEU A 34 3.940 7.832 -3.905 1.00 0.00 C -ATOM 589 H LEU A 34 2.467 10.127 -1.274 1.00 0.00 H -ATOM 590 HA LEU A 34 4.939 9.081 -1.827 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.404 11.169 -3.330 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.855 10.419 -3.954 1.00 0.00 H -ATOM 593 HG LEU A 34 2.281 9.005 -3.290 1.00 0.00 H -ATOM 594 HD11 LEU A 34 2.112 10.396 -5.272 1.00 0.00 H -ATOM 595 HD12 LEU A 34 2.090 8.685 -5.692 1.00 0.00 H -ATOM 596 HD13 LEU A 34 3.556 9.634 -5.938 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.873 7.973 -4.427 1.00 0.00 H -ATOM 598 HD22 LEU A 34 3.364 7.081 -4.424 1.00 0.00 H -ATOM 599 HD23 LEU A 34 4.130 7.506 -2.893 1.00 0.00 H -ATOM 600 N GLU A 35 5.305 12.172 -0.851 1.00 0.00 N -ATOM 601 CA GLU A 35 6.378 13.111 -0.511 1.00 0.00 C -ATOM 602 C GLU A 35 7.287 12.559 0.607 1.00 0.00 C -ATOM 603 O GLU A 35 8.434 12.966 0.730 1.00 0.00 O -ATOM 604 CB GLU A 35 5.863 14.519 -0.167 1.00 0.00 C -ATOM 605 CG GLU A 35 4.977 14.622 1.064 1.00 0.00 C -ATOM 606 CD GLU A 35 4.495 16.036 1.291 1.00 0.00 C -ATOM 607 OE1 GLU A 35 5.216 16.832 1.928 1.00 0.00 O -ATOM 608 OE2 GLU A 35 3.392 16.389 0.813 1.00 0.00 O -ATOM 609 H GLU A 35 4.381 12.329 -0.555 1.00 0.00 H -ATOM 610 HA GLU A 35 6.994 13.170 -1.397 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.715 15.165 -0.012 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.309 14.895 -1.014 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.118 13.976 0.938 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.543 14.307 1.929 1.00 0.00 H -ATOM 615 N SER A 36 6.771 11.620 1.391 1.00 0.00 N -ATOM 616 CA SER A 36 7.532 10.986 2.458 1.00 0.00 C -ATOM 617 C SER A 36 6.850 9.691 2.954 1.00 0.00 C -ATOM 618 O SER A 36 6.113 9.694 3.935 1.00 0.00 O -ATOM 619 CB SER A 36 7.839 11.975 3.609 1.00 0.00 C -ATOM 620 OG SER A 36 6.679 12.719 3.983 1.00 0.00 O -ATOM 621 H SER A 36 5.858 11.293 1.224 1.00 0.00 H -ATOM 622 HA SER A 36 8.466 10.680 2.008 1.00 0.00 H -ATOM 623 HB2 SER A 36 8.185 11.426 4.472 1.00 0.00 H -ATOM 624 HB3 SER A 36 8.608 12.665 3.293 1.00 0.00 H -ATOM 625 HG SER A 36 6.076 12.690 3.234 1.00 0.00 H -ATOM 626 N PRO A 37 7.005 8.580 2.200 1.00 0.00 N -ATOM 627 CA PRO A 37 6.419 7.291 2.573 1.00 0.00 C -ATOM 628 C PRO A 37 7.306 6.492 3.519 1.00 0.00 C -ATOM 629 O PRO A 37 6.878 5.514 4.101 1.00 0.00 O -ATOM 630 CB PRO A 37 6.284 6.579 1.230 1.00 0.00 C -ATOM 631 CG PRO A 37 7.435 7.088 0.430 1.00 0.00 C -ATOM 632 CD PRO A 37 7.668 8.512 0.877 1.00 0.00 C -ATOM 633 HA PRO A 37 5.450 7.397 3.032 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.339 5.509 1.378 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.341 6.837 0.770 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.309 6.486 0.630 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.196 7.058 -0.623 1.00 0.00 H -ATOM 638 HD2 PRO A 37 8.724 8.721 0.962 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.196 9.195 0.186 1.00 0.00 H -ATOM 640 N ARG A 38 8.524 6.953 3.708 1.00 0.00 N -ATOM 641 CA ARG A 38 9.492 6.263 4.550 1.00 0.00 C -ATOM 642 C ARG A 38 9.335 6.597 6.040 1.00 0.00 C -ATOM 643 O ARG A 38 10.304 6.603 6.809 1.00 0.00 O -ATOM 644 CB ARG A 38 10.933 6.474 4.013 1.00 0.00 C -ATOM 645 CG ARG A 38 11.368 7.914 3.700 1.00 0.00 C -ATOM 646 CD ARG A 38 11.609 8.762 4.938 1.00 0.00 C -ATOM 647 NE ARG A 38 12.145 10.083 4.593 1.00 0.00 N -ATOM 648 CZ ARG A 38 13.135 10.714 5.252 1.00 0.00 C -ATOM 649 NH1 ARG A 38 13.750 10.124 6.275 1.00 0.00 N -ATOM 650 NH2 ARG A 38 13.523 11.918 4.864 1.00 0.00 N -ATOM 651 H ARG A 38 8.765 7.788 3.258 1.00 0.00 H -ATOM 652 HA ARG A 38 9.253 5.214 4.454 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.625 6.083 4.744 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.035 5.889 3.111 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.277 7.887 3.120 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.594 8.375 3.105 1.00 0.00 H -ATOM 657 HD2 ARG A 38 10.669 8.885 5.454 1.00 0.00 H -ATOM 658 HD3 ARG A 38 12.305 8.250 5.583 1.00 0.00 H -ATOM 659 HE ARG A 38 11.722 10.501 3.807 1.00 0.00 H -ATOM 660 HH11 ARG A 38 13.509 9.202 6.592 1.00 0.00 H -ATOM 661 HH12 ARG A 38 14.495 10.584 6.770 1.00 0.00 H -ATOM 662 HH21 ARG A 38 13.110 12.395 4.086 1.00 0.00 H -ATOM 663 HH22 ARG A 38 14.261 12.407 5.339 1.00 0.00 H -ATOM 664 N ILE A 39 8.104 6.806 6.446 1.00 0.00 N -ATOM 665 CA ILE A 39 7.790 7.106 7.814 1.00 0.00 C -ATOM 666 C ILE A 39 7.698 5.810 8.600 1.00 0.00 C -ATOM 667 O ILE A 39 6.763 5.018 8.443 1.00 0.00 O -ATOM 668 CB ILE A 39 6.489 7.945 7.949 1.00 0.00 C -ATOM 669 CG1 ILE A 39 6.687 9.291 7.236 1.00 0.00 C -ATOM 670 CG2 ILE A 39 6.121 8.157 9.423 1.00 0.00 C -ATOM 671 CD1 ILE A 39 5.480 10.200 7.260 1.00 0.00 C -ATOM 672 H ILE A 39 7.380 6.704 5.793 1.00 0.00 H -ATOM 673 HA ILE A 39 8.620 7.675 8.207 1.00 0.00 H -ATOM 674 HB ILE A 39 5.683 7.412 7.465 1.00 0.00 H -ATOM 675 HG12 ILE A 39 7.498 9.815 7.718 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.952 9.107 6.206 1.00 0.00 H -ATOM 677 HG21 ILE A 39 6.922 8.677 9.926 1.00 0.00 H -ATOM 678 HG22 ILE A 39 5.964 7.197 9.895 1.00 0.00 H -ATOM 679 HG23 ILE A 39 5.216 8.742 9.485 1.00 0.00 H -ATOM 680 HD11 ILE A 39 5.702 11.106 6.717 1.00 0.00 H -ATOM 681 HD12 ILE A 39 5.226 10.442 8.281 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.649 9.695 6.792 1.00 0.00 H -ATOM 683 N GLU A 40 8.665 5.643 9.454 1.00 0.00 N -ATOM 684 CA GLU A 40 8.897 4.462 10.270 1.00 0.00 C -ATOM 685 C GLU A 40 7.687 4.065 11.118 1.00 0.00 C -ATOM 686 O GLU A 40 7.465 2.879 11.381 1.00 0.00 O -ATOM 687 CB GLU A 40 10.157 4.652 11.153 1.00 0.00 C -ATOM 688 CG GLU A 40 10.180 5.927 12.027 1.00 0.00 C -ATOM 689 CD GLU A 40 10.334 7.222 11.238 1.00 0.00 C -ATOM 690 OE1 GLU A 40 11.463 7.562 10.844 1.00 0.00 O -ATOM 691 OE2 GLU A 40 9.318 7.897 10.971 1.00 0.00 O -ATOM 692 H GLU A 40 9.278 6.404 9.561 1.00 0.00 H -ATOM 693 HA GLU A 40 9.097 3.650 9.590 1.00 0.00 H -ATOM 694 HB2 GLU A 40 10.241 3.803 11.815 1.00 0.00 H -ATOM 695 HB3 GLU A 40 11.025 4.672 10.509 1.00 0.00 H -ATOM 696 HG2 GLU A 40 9.235 5.975 12.548 1.00 0.00 H -ATOM 697 HG3 GLU A 40 10.985 5.849 12.741 1.00 0.00 H -ATOM 698 N ALA A 41 6.885 5.037 11.492 1.00 0.00 N -ATOM 699 CA ALA A 41 5.689 4.795 12.287 1.00 0.00 C -ATOM 700 C ALA A 41 4.619 4.050 11.482 1.00 0.00 C -ATOM 701 O ALA A 41 3.650 3.524 12.037 1.00 0.00 O -ATOM 702 CB ALA A 41 5.133 6.101 12.804 1.00 0.00 C -ATOM 703 H ALA A 41 7.122 5.954 11.237 1.00 0.00 H -ATOM 704 HA ALA A 41 5.975 4.187 13.133 1.00 0.00 H -ATOM 705 HB1 ALA A 41 4.262 5.896 13.408 1.00 0.00 H -ATOM 706 HB2 ALA A 41 4.859 6.734 11.973 1.00 0.00 H -ATOM 707 HB3 ALA A 41 5.881 6.593 13.407 1.00 0.00 H -ATOM 708 N ASN A 42 4.792 3.992 10.179 1.00 0.00 N -ATOM 709 CA ASN A 42 3.841 3.319 9.326 1.00 0.00 C -ATOM 710 C ASN A 42 4.423 2.071 8.730 1.00 0.00 C -ATOM 711 O ASN A 42 3.796 1.444 7.906 1.00 0.00 O -ATOM 712 CB ASN A 42 3.294 4.232 8.211 1.00 0.00 C -ATOM 713 CG ASN A 42 2.456 5.376 8.735 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.251 5.239 8.944 1.00 0.00 O -ATOM 715 ND2 ASN A 42 3.064 6.519 8.914 1.00 0.00 N -ATOM 716 H ASN A 42 5.585 4.407 9.769 1.00 0.00 H -ATOM 717 HA ASN A 42 3.012 3.014 9.947 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.124 4.650 7.662 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.688 3.641 7.539 1.00 0.00 H -ATOM 720 HD21 ASN A 42 4.017 6.589 8.701 1.00 0.00 H -ATOM 721 HD22 ASN A 42 2.533 7.265 9.266 1.00 0.00 H -ATOM 722 N LYS A 43 5.594 1.667 9.162 1.00 0.00 N -ATOM 723 CA LYS A 43 6.164 0.467 8.609 1.00 0.00 C -ATOM 724 C LYS A 43 5.740 -0.744 9.393 1.00 0.00 C -ATOM 725 O LYS A 43 5.416 -0.642 10.581 1.00 0.00 O -ATOM 726 CB LYS A 43 7.681 0.541 8.369 1.00 0.00 C -ATOM 727 CG LYS A 43 8.589 0.417 9.567 1.00 0.00 C -ATOM 728 CD LYS A 43 10.028 0.789 9.185 1.00 0.00 C -ATOM 729 CE LYS A 43 10.562 -0.033 8.000 1.00 0.00 C -ATOM 730 NZ LYS A 43 11.901 0.427 7.570 1.00 0.00 N -ATOM 731 H LYS A 43 6.067 2.160 9.868 1.00 0.00 H -ATOM 732 HA LYS A 43 5.673 0.365 7.655 1.00 0.00 H -ATOM 733 HB2 LYS A 43 7.940 -0.256 7.690 1.00 0.00 H -ATOM 734 HB3 LYS A 43 7.885 1.481 7.878 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.237 1.063 10.358 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.571 -0.615 9.883 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.052 1.834 8.914 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.665 0.630 10.042 1.00 0.00 H -ATOM 739 HE2 LYS A 43 10.620 -1.073 8.280 1.00 0.00 H -ATOM 740 HE3 LYS A 43 9.880 0.072 7.169 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 12.631 0.219 8.281 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 11.891 1.463 7.472 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.198 0.036 6.648 1.00 0.00 H -ATOM 744 N LEU A 44 5.605 -1.842 8.706 1.00 0.00 N -ATOM 745 CA LEU A 44 5.208 -3.095 9.306 1.00 0.00 C -ATOM 746 C LEU A 44 6.322 -3.638 10.191 1.00 0.00 C -ATOM 747 O LEU A 44 7.495 -3.312 9.989 1.00 0.00 O -ATOM 748 CB LEU A 44 4.825 -4.100 8.225 1.00 0.00 C -ATOM 749 CG LEU A 44 3.601 -3.736 7.376 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.393 -4.750 6.289 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.365 -3.678 8.229 1.00 0.00 C -ATOM 752 H LEU A 44 5.811 -1.811 7.743 1.00 0.00 H -ATOM 753 HA LEU A 44 4.346 -2.893 9.922 1.00 0.00 H -ATOM 754 HB2 LEU A 44 5.672 -4.173 7.561 1.00 0.00 H -ATOM 755 HB3 LEU A 44 4.654 -5.061 8.686 1.00 0.00 H -ATOM 756 HG LEU A 44 3.743 -2.767 6.922 1.00 0.00 H -ATOM 757 HD11 LEU A 44 4.250 -4.773 5.633 1.00 0.00 H -ATOM 758 HD12 LEU A 44 2.508 -4.470 5.739 1.00 0.00 H -ATOM 759 HD13 LEU A 44 3.240 -5.721 6.737 1.00 0.00 H -ATOM 760 HD21 LEU A 44 2.502 -2.958 9.020 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.176 -4.654 8.653 1.00 0.00 H -ATOM 762 HD23 LEU A 44 1.527 -3.383 7.616 1.00 0.00 H -ATOM 763 N ARG A 45 5.945 -4.457 11.150 1.00 0.00 N -ATOM 764 CA ARG A 45 6.846 -4.977 12.153 1.00 0.00 C -ATOM 765 C ARG A 45 8.024 -5.792 11.601 1.00 0.00 C -ATOM 766 O ARG A 45 9.166 -5.460 11.871 1.00 0.00 O -ATOM 767 CB ARG A 45 6.072 -5.729 13.245 1.00 0.00 C -ATOM 768 CG ARG A 45 5.175 -6.862 12.759 1.00 0.00 C -ATOM 769 CD ARG A 45 4.447 -7.514 13.920 1.00 0.00 C -ATOM 770 NE ARG A 45 5.379 -8.129 14.874 1.00 0.00 N -ATOM 771 CZ ARG A 45 5.162 -8.278 16.194 1.00 0.00 C -ATOM 772 NH1 ARG A 45 4.054 -7.798 16.757 1.00 0.00 N -ATOM 773 NH2 ARG A 45 6.064 -8.887 16.946 1.00 0.00 N -ATOM 774 H ARG A 45 5.001 -4.714 11.206 1.00 0.00 H -ATOM 775 HA ARG A 45 7.283 -4.108 12.621 1.00 0.00 H -ATOM 776 HB2 ARG A 45 6.791 -6.153 13.926 1.00 0.00 H -ATOM 777 HB3 ARG A 45 5.462 -5.020 13.786 1.00 0.00 H -ATOM 778 HG2 ARG A 45 4.449 -6.473 12.060 1.00 0.00 H -ATOM 779 HG3 ARG A 45 5.787 -7.603 12.266 1.00 0.00 H -ATOM 780 HD2 ARG A 45 3.868 -6.760 14.433 1.00 0.00 H -ATOM 781 HD3 ARG A 45 3.786 -8.275 13.534 1.00 0.00 H -ATOM 782 HE ARG A 45 6.210 -8.470 14.468 1.00 0.00 H -ATOM 783 HH11 ARG A 45 3.354 -7.311 16.233 1.00 0.00 H -ATOM 784 HH12 ARG A 45 3.874 -7.922 17.739 1.00 0.00 H -ATOM 785 HH21 ARG A 45 6.923 -9.252 16.577 1.00 0.00 H -ATOM 786 HH22 ARG A 45 5.928 -9.029 17.929 1.00 0.00 H -ATOM 787 N GLY A 46 7.768 -6.817 10.821 1.00 0.00 N -ATOM 788 CA GLY A 46 8.866 -7.636 10.364 1.00 0.00 C -ATOM 789 C GLY A 46 8.953 -7.719 8.868 1.00 0.00 C -ATOM 790 O GLY A 46 9.547 -8.649 8.327 1.00 0.00 O -ATOM 791 H GLY A 46 6.856 -7.048 10.545 1.00 0.00 H -ATOM 792 HA2 GLY A 46 9.788 -7.217 10.740 1.00 0.00 H -ATOM 793 HA3 GLY A 46 8.749 -8.631 10.766 1.00 0.00 H -ATOM 794 N MET A 47 8.403 -6.749 8.191 1.00 0.00 N -ATOM 795 CA MET A 47 8.387 -6.766 6.732 1.00 0.00 C -ATOM 796 C MET A 47 9.448 -5.840 6.176 1.00 0.00 C -ATOM 797 O MET A 47 9.547 -4.687 6.617 1.00 0.00 O -ATOM 798 CB MET A 47 7.026 -6.356 6.190 1.00 0.00 C -ATOM 799 CG MET A 47 5.900 -7.328 6.490 1.00 0.00 C -ATOM 800 SD MET A 47 6.080 -8.914 5.648 1.00 0.00 S -ATOM 801 CE MET A 47 5.958 -8.390 3.938 1.00 0.00 C -ATOM 802 H MET A 47 8.042 -5.982 8.682 1.00 0.00 H -ATOM 803 HA MET A 47 8.598 -7.778 6.421 1.00 0.00 H -ATOM 804 HB2 MET A 47 6.788 -5.395 6.613 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.107 -6.243 5.120 1.00 0.00 H -ATOM 806 HG2 MET A 47 5.876 -7.502 7.555 1.00 0.00 H -ATOM 807 HG3 MET A 47 4.966 -6.879 6.185 1.00 0.00 H -ATOM 808 HE1 MET A 47 6.765 -7.717 3.691 1.00 0.00 H -ATOM 809 HE2 MET A 47 5.016 -7.883 3.792 1.00 0.00 H -ATOM 810 HE3 MET A 47 5.999 -9.255 3.292 1.00 0.00 H -ATOM 811 N PRO A 48 10.247 -6.324 5.194 1.00 0.00 N -ATOM 812 CA PRO A 48 11.326 -5.544 4.576 1.00 0.00 C -ATOM 813 C PRO A 48 10.818 -4.263 3.904 1.00 0.00 C -ATOM 814 O PRO A 48 10.297 -4.289 2.776 1.00 0.00 O -ATOM 815 CB PRO A 48 11.943 -6.501 3.540 1.00 0.00 C -ATOM 816 CG PRO A 48 10.903 -7.547 3.316 1.00 0.00 C -ATOM 817 CD PRO A 48 10.162 -7.680 4.613 1.00 0.00 C -ATOM 818 HA PRO A 48 12.069 -5.279 5.313 1.00 0.00 H -ATOM 819 HB2 PRO A 48 12.158 -5.954 2.633 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.852 -6.926 3.936 1.00 0.00 H -ATOM 821 HG2 PRO A 48 10.230 -7.229 2.533 1.00 0.00 H -ATOM 822 HG3 PRO A 48 11.371 -8.484 3.052 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.135 -7.960 4.426 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.643 -8.404 5.254 1.00 0.00 H -ATOM 825 N ASP A 49 10.897 -3.173 4.662 1.00 0.00 N -ATOM 826 CA ASP A 49 10.501 -1.823 4.246 1.00 0.00 C -ATOM 827 C ASP A 49 9.114 -1.771 3.655 1.00 0.00 C -ATOM 828 O ASP A 49 8.882 -1.179 2.593 1.00 0.00 O -ATOM 829 CB ASP A 49 11.535 -1.149 3.331 1.00 0.00 C -ATOM 830 CG ASP A 49 12.824 -0.843 4.050 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.794 -0.158 5.108 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.900 -1.295 3.604 1.00 0.00 O -ATOM 833 H ASP A 49 11.231 -3.311 5.575 1.00 0.00 H -ATOM 834 HA ASP A 49 10.445 -1.248 5.159 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.755 -1.803 2.500 1.00 0.00 H -ATOM 836 HB3 ASP A 49 11.122 -0.225 2.953 1.00 0.00 H -ATOM 837 N CYS A 50 8.189 -2.397 4.332 1.00 0.00 N -ATOM 838 CA CYS A 50 6.834 -2.347 3.899 1.00 0.00 C -ATOM 839 C CYS A 50 6.092 -1.440 4.846 1.00 0.00 C -ATOM 840 O CYS A 50 6.336 -1.470 6.058 1.00 0.00 O -ATOM 841 CB CYS A 50 6.231 -3.744 3.882 1.00 0.00 C -ATOM 842 SG CYS A 50 7.163 -4.933 2.881 1.00 0.00 S -ATOM 843 H CYS A 50 8.412 -2.876 5.158 1.00 0.00 H -ATOM 844 HA CYS A 50 6.811 -1.923 2.908 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.199 -4.118 4.892 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.227 -3.693 3.488 1.00 0.00 H -ATOM 847 HG CYS A 50 8.374 -4.426 2.678 1.00 0.00 H -ATOM 848 N TYR A 51 5.208 -0.663 4.319 1.00 0.00 N -ATOM 849 CA TYR A 51 4.501 0.324 5.075 1.00 0.00 C -ATOM 850 C TYR A 51 3.034 0.164 4.835 1.00 0.00 C -ATOM 851 O TYR A 51 2.622 -0.350 3.787 1.00 0.00 O -ATOM 852 CB TYR A 51 4.957 1.750 4.688 1.00 0.00 C -ATOM 853 CG TYR A 51 6.431 2.071 4.951 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.438 1.556 4.144 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.806 2.887 6.004 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.767 1.843 4.381 1.00 0.00 C -ATOM 857 CE2 TYR A 51 8.137 3.176 6.243 1.00 0.00 C -ATOM 858 CZ TYR A 51 9.109 2.652 5.430 1.00 0.00 C -ATOM 859 OH TYR A 51 10.434 2.934 5.678 1.00 0.00 O -ATOM 860 H TYR A 51 4.978 -0.752 3.367 1.00 0.00 H -ATOM 861 HA TYR A 51 4.690 0.165 6.122 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.783 1.886 3.632 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.356 2.461 5.234 1.00 0.00 H -ATOM 864 HD1 TYR A 51 7.167 0.916 3.318 1.00 0.00 H -ATOM 865 HD2 TYR A 51 6.047 3.300 6.651 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.532 1.430 3.739 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.408 3.814 7.072 1.00 0.00 H -ATOM 868 HH TYR A 51 10.862 3.104 4.826 1.00 0.00 H -ATOM 869 N LYS A 52 2.248 0.569 5.784 1.00 0.00 N -ATOM 870 CA LYS A 52 0.837 0.455 5.660 1.00 0.00 C -ATOM 871 C LYS A 52 0.174 1.727 6.117 1.00 0.00 C -ATOM 872 O LYS A 52 0.589 2.346 7.102 1.00 0.00 O -ATOM 873 CB LYS A 52 0.277 -0.782 6.435 1.00 0.00 C -ATOM 874 CG LYS A 52 0.167 -0.693 7.987 1.00 0.00 C -ATOM 875 CD LYS A 52 1.492 -0.409 8.698 1.00 0.00 C -ATOM 876 CE LYS A 52 1.355 -0.585 10.206 1.00 0.00 C -ATOM 877 NZ LYS A 52 2.583 -0.194 10.951 1.00 0.00 N -ATOM 878 H LYS A 52 2.628 0.985 6.591 1.00 0.00 H -ATOM 879 HA LYS A 52 0.621 0.321 4.609 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.715 -0.988 6.062 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.906 -1.626 6.192 1.00 0.00 H -ATOM 882 HG2 LYS A 52 -0.519 0.103 8.234 1.00 0.00 H -ATOM 883 HG3 LYS A 52 -0.238 -1.625 8.351 1.00 0.00 H -ATOM 884 HD2 LYS A 52 2.253 -1.075 8.321 1.00 0.00 H -ATOM 885 HD3 LYS A 52 1.785 0.610 8.489 1.00 0.00 H -ATOM 886 HE2 LYS A 52 0.523 0.011 10.543 1.00 0.00 H -ATOM 887 HE3 LYS A 52 1.143 -1.624 10.404 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 2.776 0.819 10.834 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 3.428 -0.731 10.667 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 2.454 -0.365 11.970 1.00 0.00 H -ATOM 891 N ILE A 53 -0.821 2.118 5.409 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.603 3.256 5.776 1.00 0.00 C -ATOM 893 C ILE A 53 -2.940 2.735 6.195 1.00 0.00 C -ATOM 894 O ILE A 53 -3.522 1.898 5.501 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.780 4.267 4.603 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.408 4.750 4.105 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -2.638 5.461 5.043 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.475 5.710 2.934 1.00 0.00 C -ATOM 899 H ILE A 53 -1.054 1.601 4.604 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.127 3.746 6.614 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.289 3.760 3.797 1.00 0.00 H -ATOM 902 HG12 ILE A 53 0.096 5.257 4.914 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.178 3.894 3.806 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -2.160 5.960 5.874 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -3.622 5.128 5.343 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -2.737 6.158 4.224 1.00 0.00 H -ATOM 907 HD11 ILE A 53 0.526 5.965 2.620 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -0.987 6.609 3.246 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -1.011 5.253 2.116 1.00 0.00 H -ATOM 910 N LYS A 54 -3.413 3.173 7.317 1.00 0.00 N -ATOM 911 CA LYS A 54 -4.679 2.716 7.791 1.00 0.00 C -ATOM 912 C LYS A 54 -5.668 3.810 7.519 1.00 0.00 C -ATOM 913 O LYS A 54 -5.330 5.000 7.627 1.00 0.00 O -ATOM 914 CB LYS A 54 -4.638 2.297 9.299 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.667 3.421 10.370 1.00 0.00 C -ATOM 916 CD LYS A 54 -3.538 4.447 10.256 1.00 0.00 C -ATOM 917 CE LYS A 54 -2.159 3.829 10.357 1.00 0.00 C -ATOM 918 NZ LYS A 54 -1.095 4.857 10.292 1.00 0.00 N -ATOM 919 H LYS A 54 -2.932 3.869 7.806 1.00 0.00 H -ATOM 920 HA LYS A 54 -4.950 1.864 7.184 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.485 1.655 9.487 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -3.744 1.711 9.451 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -5.604 3.951 10.283 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -4.624 2.957 11.345 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -3.627 4.939 9.300 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -3.662 5.173 11.046 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -2.081 3.280 11.284 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -2.050 3.156 9.519 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -1.159 5.521 11.088 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -1.166 5.419 9.421 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -0.145 4.431 10.300 1.00 0.00 H -ATOM 932 N LEU A 55 -6.834 3.451 7.123 1.00 0.00 N -ATOM 933 CA LEU A 55 -7.798 4.428 6.759 1.00 0.00 C -ATOM 934 C LEU A 55 -8.657 4.691 7.977 1.00 0.00 C -ATOM 935 O LEU A 55 -9.379 3.809 8.428 1.00 0.00 O -ATOM 936 CB LEU A 55 -8.663 3.903 5.599 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.266 4.934 4.615 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -10.237 4.258 3.679 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -9.928 6.097 5.317 1.00 0.00 C -ATOM 940 H LEU A 55 -7.082 2.499 7.085 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.271 5.319 6.453 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.063 3.214 5.026 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.479 3.347 6.037 1.00 0.00 H -ATOM 944 HG LEU A 55 -8.464 5.313 3.998 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -11.014 3.783 4.259 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -9.721 3.517 3.087 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -10.684 4.995 3.030 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -9.193 6.633 5.899 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -10.688 5.710 5.980 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -10.376 6.757 4.589 1.00 0.00 H -ATOM 951 N ARG A 56 -8.563 5.870 8.527 1.00 0.00 N -ATOM 952 CA ARG A 56 -9.362 6.211 9.678 1.00 0.00 C -ATOM 953 C ARG A 56 -10.785 6.555 9.242 1.00 0.00 C -ATOM 954 O ARG A 56 -11.118 7.725 9.003 1.00 0.00 O -ATOM 955 CB ARG A 56 -8.739 7.357 10.477 1.00 0.00 C -ATOM 956 CG ARG A 56 -7.371 7.060 11.079 1.00 0.00 C -ATOM 957 CD ARG A 56 -7.425 5.923 12.083 1.00 0.00 C -ATOM 958 NE ARG A 56 -6.121 5.700 12.731 1.00 0.00 N -ATOM 959 CZ ARG A 56 -5.870 4.751 13.646 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -6.831 3.938 14.042 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -4.656 4.619 14.151 1.00 0.00 N -ATOM 962 H ARG A 56 -7.944 6.531 8.143 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.414 5.330 10.300 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -8.628 8.205 9.819 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -9.412 7.621 11.278 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -6.695 6.781 10.283 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -7.001 7.947 11.570 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -8.162 6.149 12.840 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -7.709 5.019 11.564 1.00 0.00 H -ATOM 970 HE ARG A 56 -5.405 6.308 12.437 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -7.764 3.993 13.681 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -6.671 3.217 14.726 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -3.884 5.204 13.892 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -4.458 3.888 14.814 1.00 0.00 H -ATOM 975 N SER A 57 -11.573 5.513 9.041 1.00 0.00 N -ATOM 976 CA SER A 57 -12.974 5.585 8.622 1.00 0.00 C -ATOM 977 C SER A 57 -13.632 4.229 8.844 1.00 0.00 C -ATOM 978 O SER A 57 -14.782 4.143 9.272 1.00 0.00 O -ATOM 979 CB SER A 57 -13.115 5.962 7.134 1.00 0.00 C -ATOM 980 OG SER A 57 -12.535 7.225 6.860 1.00 0.00 O -ATOM 981 H SER A 57 -11.180 4.629 9.214 1.00 0.00 H -ATOM 982 HA SER A 57 -13.463 6.329 9.233 1.00 0.00 H -ATOM 983 HB2 SER A 57 -12.638 5.212 6.522 1.00 0.00 H -ATOM 984 HB3 SER A 57 -14.165 6.004 6.886 1.00 0.00 H -ATOM 985 HG SER A 57 -12.109 7.504 7.684 1.00 0.00 H -ATOM 986 N SER A 58 -12.876 3.186 8.576 1.00 0.00 N -ATOM 987 CA SER A 58 -13.316 1.832 8.703 1.00 0.00 C -ATOM 988 C SER A 58 -12.047 0.989 8.766 1.00 0.00 C -ATOM 989 O SER A 58 -10.952 1.544 8.649 1.00 0.00 O -ATOM 990 CB SER A 58 -14.197 1.453 7.489 1.00 0.00 C -ATOM 991 OG SER A 58 -14.778 0.162 7.622 1.00 0.00 O -ATOM 992 H SER A 58 -11.941 3.283 8.296 1.00 0.00 H -ATOM 993 HA SER A 58 -13.873 1.731 9.622 1.00 0.00 H -ATOM 994 HB2 SER A 58 -14.987 2.182 7.388 1.00 0.00 H -ATOM 995 HB3 SER A 58 -13.594 1.478 6.594 1.00 0.00 H -ATOM 996 HG SER A 58 -15.666 0.292 7.980 1.00 0.00 H -ATOM 997 N GLY A 59 -12.167 -0.306 8.901 1.00 0.00 N -ATOM 998 CA GLY A 59 -10.999 -1.156 9.055 1.00 0.00 C -ATOM 999 C GLY A 59 -10.285 -1.477 7.761 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.013 -2.638 7.467 1.00 0.00 O -ATOM 1001 H GLY A 59 -13.070 -0.695 8.896 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.294 -0.643 9.690 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.292 -2.080 9.528 1.00 0.00 H -ATOM 1004 N TYR A 60 -9.964 -0.467 7.001 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.244 -0.655 5.775 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.833 -0.157 5.933 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.578 0.800 6.663 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.925 0.039 4.599 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.275 -0.537 4.231 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -11.376 -1.712 3.499 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -12.444 0.101 4.601 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -12.608 -2.232 3.147 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -13.680 -0.407 4.250 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.755 -1.576 3.524 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.986 -2.076 3.154 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.197 0.441 7.302 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.212 -1.718 5.585 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.065 1.081 4.842 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.283 -0.034 3.733 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -10.472 -2.226 3.204 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -12.368 1.018 5.165 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -12.668 -3.147 2.577 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -14.581 0.108 4.549 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.005 -3.035 3.272 1.00 0.00 H -ATOM 1025 N ARG A 61 -6.927 -0.853 5.333 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.532 -0.515 5.335 1.00 0.00 C -ATOM 1027 C ARG A 61 -4.930 -0.888 4.003 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.413 -1.805 3.325 1.00 0.00 O -ATOM 1029 CB ARG A 61 -4.736 -1.167 6.506 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.012 -2.649 6.737 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.241 -2.849 7.623 1.00 0.00 C -ATOM 1032 NE ARG A 61 -5.961 -2.538 9.039 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -6.531 -1.569 9.780 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -7.298 -0.639 9.221 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -6.275 -1.511 11.080 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.183 -1.652 4.816 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.482 0.560 5.431 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -3.681 -1.053 6.308 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -4.971 -0.633 7.416 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -5.182 -3.126 5.784 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -4.154 -3.096 7.220 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -7.027 -2.196 7.269 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.569 -3.874 7.540 1.00 0.00 H -ATOM 1044 HE ARG A 61 -5.323 -3.146 9.482 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -7.494 -0.594 8.240 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -7.725 0.086 9.773 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -5.663 -2.173 11.524 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -6.688 -0.820 11.680 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.928 -0.181 3.618 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.259 -0.429 2.378 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.793 -0.690 2.675 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.155 0.097 3.375 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.492 0.771 1.426 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.948 0.675 -0.010 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.669 1.666 -0.896 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.472 0.983 -0.045 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.606 0.551 4.192 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.689 -1.320 1.947 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.558 0.927 1.357 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.059 1.643 1.892 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.104 -0.321 -0.398 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.262 1.604 -1.895 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.546 2.664 -0.504 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -4.719 1.416 -0.925 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -0.937 0.257 0.550 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.318 1.968 0.369 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.121 0.954 -1.065 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.281 -1.790 2.162 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.079 -2.218 2.427 1.00 0.00 C -ATOM 1070 C VAL A 63 0.914 -2.142 1.153 1.00 0.00 C -ATOM 1071 O VAL A 63 0.562 -2.736 0.112 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.110 -3.670 2.992 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.534 -4.128 3.284 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.742 -3.773 4.247 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.814 -2.340 1.545 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.503 -1.552 3.165 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.309 -4.330 2.246 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.107 -4.138 2.369 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 1.515 -5.117 3.719 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 1.990 -3.445 3.985 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.360 -3.093 4.994 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.701 -4.783 4.628 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -1.765 -3.516 4.018 1.00 0.00 H -ATOM 1084 N TYR A 64 1.998 -1.432 1.230 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.872 -1.251 0.111 1.00 0.00 C -ATOM 1086 C TYR A 64 4.313 -1.392 0.542 1.00 0.00 C -ATOM 1087 O TYR A 64 4.620 -1.273 1.719 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.630 0.118 -0.568 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.778 1.354 0.311 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.006 1.750 0.828 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.681 2.133 0.592 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.119 2.879 1.598 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.783 3.262 1.357 1.00 0.00 C -ATOM 1094 CZ TYR A 64 3.008 3.633 1.860 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.120 4.759 2.628 1.00 0.00 O -ATOM 1096 H TYR A 64 2.246 -1.018 2.090 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.655 -2.029 -0.604 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.303 0.237 -1.401 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.620 0.122 -0.950 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.881 1.152 0.618 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.721 1.837 0.197 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.081 3.172 1.989 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.897 3.849 1.545 1.00 0.00 H -ATOM 1104 HH TYR A 64 2.418 4.761 3.285 1.00 0.00 H -ATOM 1105 N GLN A 65 5.177 -1.673 -0.378 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.580 -1.719 -0.084 1.00 0.00 C -ATOM 1107 C GLN A 65 7.257 -0.530 -0.724 1.00 0.00 C -ATOM 1108 O GLN A 65 6.921 -0.142 -1.855 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.238 -3.042 -0.514 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.153 -3.366 -2.005 1.00 0.00 C -ATOM 1111 CD GLN A 65 7.877 -4.660 -2.377 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.481 -5.365 -3.310 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 8.957 -4.964 -1.693 1.00 0.00 N -ATOM 1114 H GLN A 65 4.870 -1.828 -1.301 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.672 -1.605 0.985 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.280 -2.998 -0.242 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.769 -3.845 0.035 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.113 -3.459 -2.282 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.598 -2.549 -2.556 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.256 -4.355 -0.982 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.432 -5.791 -1.915 1.00 0.00 H -ATOM 1122 N VAL A 66 8.153 0.076 -0.010 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.868 1.212 -0.522 1.00 0.00 C -ATOM 1124 C VAL A 66 10.204 0.763 -1.047 1.00 0.00 C -ATOM 1125 O VAL A 66 11.048 0.263 -0.299 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.050 2.335 0.545 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.919 3.476 0.012 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.699 2.881 0.963 1.00 0.00 C -ATOM 1129 H VAL A 66 8.380 -0.257 0.887 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.296 1.607 -1.350 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.530 1.913 1.415 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 10.889 3.087 -0.258 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 10.038 4.224 0.781 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.450 3.916 -0.854 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.195 3.301 0.105 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.835 3.648 1.713 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 7.101 2.081 1.372 1.00 0.00 H -ATOM 1138 N ILE A 67 10.382 0.895 -2.325 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.615 0.545 -2.931 1.00 0.00 C -ATOM 1140 C ILE A 67 12.392 1.825 -3.117 1.00 0.00 C -ATOM 1141 O ILE A 67 12.181 2.563 -4.088 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.420 -0.154 -4.304 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.439 -1.336 -4.172 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.770 -0.644 -4.831 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 10.107 -2.020 -5.488 1.00 0.00 C -ATOM 1146 H ILE A 67 9.666 1.277 -2.886 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.151 -0.111 -2.261 1.00 0.00 H -ATOM 1148 HB ILE A 67 11.018 0.567 -4.999 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.868 -2.079 -3.516 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.515 -0.977 -3.739 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 13.431 0.199 -4.968 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 12.630 -1.149 -5.776 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.202 -1.329 -4.117 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 11.011 -2.418 -5.924 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.668 -1.301 -6.164 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 9.406 -2.822 -5.311 1.00 0.00 H -ATOM 1157 N ASP A 68 13.249 2.103 -2.173 1.00 0.00 N -ATOM 1158 CA ASP A 68 14.049 3.323 -2.158 1.00 0.00 C -ATOM 1159 C ASP A 68 15.021 3.341 -3.320 1.00 0.00 C -ATOM 1160 O ASP A 68 15.238 4.382 -3.943 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.827 3.426 -0.844 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.660 4.685 -0.754 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 16.788 4.724 -1.309 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 15.221 5.653 -0.118 1.00 0.00 O -ATOM 1165 H ASP A 68 13.352 1.451 -1.446 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.382 4.168 -2.234 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 14.131 3.417 -0.018 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.484 2.574 -0.756 1.00 0.00 H -ATOM 1169 N GLU A 69 15.549 2.169 -3.646 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.521 2.012 -4.733 1.00 0.00 C -ATOM 1171 C GLU A 69 15.936 2.434 -6.082 1.00 0.00 C -ATOM 1172 O GLU A 69 16.659 2.864 -6.974 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.977 0.571 -4.846 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.700 0.002 -3.642 1.00 0.00 C -ATOM 1175 CD GLU A 69 18.053 -1.451 -3.858 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 17.127 -2.282 -3.986 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 19.244 -1.786 -3.964 1.00 0.00 O -ATOM 1178 H GLU A 69 15.290 1.383 -3.115 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.380 2.628 -4.516 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 16.106 -0.043 -5.025 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.632 0.504 -5.700 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 18.612 0.558 -3.485 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 17.070 0.084 -2.772 1.00 0.00 H -ATOM 1184 N LYS A 70 14.638 2.272 -6.234 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.965 2.615 -7.476 1.00 0.00 C -ATOM 1186 C LYS A 70 13.105 3.870 -7.323 1.00 0.00 C -ATOM 1187 O LYS A 70 12.538 4.358 -8.299 1.00 0.00 O -ATOM 1188 CB LYS A 70 13.125 1.438 -7.977 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.936 0.212 -8.376 1.00 0.00 C -ATOM 1190 CD LYS A 70 13.029 -0.919 -8.837 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.828 -2.123 -9.317 1.00 0.00 C -ATOM 1192 NZ LYS A 70 14.600 -1.843 -10.551 1.00 0.00 N -ATOM 1193 H LYS A 70 14.116 1.922 -5.483 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.733 2.822 -8.206 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.462 1.136 -7.181 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.540 1.755 -8.827 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.618 0.471 -9.172 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.498 -0.120 -7.515 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 12.398 -1.225 -8.015 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.410 -0.561 -9.647 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 14.512 -2.420 -8.538 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 13.139 -2.932 -9.511 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 13.973 -1.603 -11.344 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 15.127 -2.701 -10.819 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 15.293 -1.079 -10.418 1.00 0.00 H -ATOM 1206 N VAL A 71 13.015 4.378 -6.085 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.214 5.575 -5.746 1.00 0.00 C -ATOM 1208 C VAL A 71 10.710 5.312 -6.080 1.00 0.00 C -ATOM 1209 O VAL A 71 9.962 6.188 -6.514 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.776 6.862 -6.481 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 12.082 8.147 -6.030 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.269 6.990 -6.247 1.00 0.00 C -ATOM 1213 H VAL A 71 13.515 3.933 -5.368 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.295 5.704 -4.675 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.614 6.741 -7.543 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 11.031 8.076 -6.263 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.510 8.993 -6.547 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.205 8.274 -4.965 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.452 7.122 -5.190 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.656 7.835 -6.795 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.753 6.083 -6.579 1.00 0.00 H -ATOM 1222 N VAL A 72 10.265 4.111 -5.805 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.904 3.740 -6.114 1.00 0.00 C -ATOM 1224 C VAL A 72 8.236 3.054 -4.925 1.00 0.00 C -ATOM 1225 O VAL A 72 8.861 2.282 -4.185 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.806 2.856 -7.417 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.540 1.540 -7.271 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.356 2.615 -7.839 1.00 0.00 C -ATOM 1229 H VAL A 72 10.851 3.469 -5.350 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.369 4.662 -6.293 1.00 0.00 H -ATOM 1231 HB VAL A 72 9.296 3.405 -8.209 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 9.100 0.969 -6.467 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 10.577 1.744 -7.048 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 9.466 0.986 -8.195 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.837 2.094 -7.048 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 7.335 2.015 -8.736 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.867 3.560 -8.027 1.00 0.00 H -ATOM 1238 N VAL A 73 7.012 3.407 -4.722 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.162 2.854 -3.727 1.00 0.00 C -ATOM 1240 C VAL A 73 5.259 1.849 -4.434 1.00 0.00 C -ATOM 1241 O VAL A 73 4.465 2.213 -5.315 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.315 3.973 -3.074 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.362 3.414 -2.055 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.214 5.017 -2.433 1.00 0.00 C -ATOM 1245 H VAL A 73 6.615 4.095 -5.298 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.762 2.359 -2.978 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.744 4.460 -3.851 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 3.787 4.219 -1.620 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 4.921 2.908 -1.280 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.693 2.714 -2.534 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 6.822 4.548 -1.674 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 5.609 5.788 -1.981 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 6.853 5.455 -3.186 1.00 0.00 H -ATOM 1254 N PHE A 74 5.406 0.612 -4.082 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.723 -0.456 -4.760 1.00 0.00 C -ATOM 1256 C PHE A 74 3.656 -1.070 -3.857 1.00 0.00 C -ATOM 1257 O PHE A 74 3.976 -1.701 -2.851 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.766 -1.500 -5.181 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.236 -2.628 -6.001 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 5.009 -2.457 -7.348 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 4.983 -3.860 -5.431 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.538 -3.490 -8.116 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.509 -4.898 -6.194 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.286 -4.709 -7.541 1.00 0.00 C -ATOM 1265 H PHE A 74 5.991 0.389 -3.322 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.259 -0.057 -5.648 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.533 -1.012 -5.764 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.218 -1.914 -4.291 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 5.205 -1.496 -7.800 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.160 -4.003 -4.375 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.367 -3.338 -9.170 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.310 -5.857 -5.740 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.911 -5.518 -8.149 1.00 0.00 H -ATOM 1274 N VAL A 75 2.400 -0.870 -4.210 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.273 -1.388 -3.438 1.00 0.00 C -ATOM 1276 C VAL A 75 1.136 -2.875 -3.681 1.00 0.00 C -ATOM 1277 O VAL A 75 0.987 -3.307 -4.826 1.00 0.00 O -ATOM 1278 CB VAL A 75 -0.061 -0.671 -3.807 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.235 -1.198 -2.970 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.076 0.837 -3.653 1.00 0.00 C -ATOM 1281 H VAL A 75 2.227 -0.372 -5.042 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.484 -1.233 -2.392 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.277 -0.889 -4.843 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.369 -2.252 -3.160 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -2.144 -0.670 -3.218 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -1.027 -1.058 -1.920 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.360 1.076 -2.639 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 -0.869 1.307 -3.881 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.831 1.201 -4.334 1.00 0.00 H -ATOM 1290 N ILE A 76 1.193 -3.650 -2.618 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.133 -5.091 -2.740 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.273 -5.594 -2.423 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.808 -6.465 -3.108 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.124 -5.790 -1.770 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.543 -5.221 -1.908 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.143 -7.292 -2.036 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.526 -5.795 -0.901 1.00 0.00 C -ATOM 1298 H ILE A 76 1.271 -3.243 -1.727 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.396 -5.359 -3.753 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.776 -5.631 -0.759 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 3.916 -5.451 -2.895 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.511 -4.149 -1.776 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 1.185 -7.722 -1.780 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 2.935 -7.753 -1.466 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 2.332 -7.450 -3.087 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 5.498 -5.355 -1.056 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.590 -6.865 -1.031 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 4.185 -5.576 0.102 1.00 0.00 H -ATOM 1309 N SER A 77 -0.876 -5.047 -1.391 1.00 0.00 N -ATOM 1310 CA SER A 77 -2.178 -5.499 -0.954 1.00 0.00 C -ATOM 1311 C SER A 77 -2.970 -4.344 -0.364 1.00 0.00 C -ATOM 1312 O SER A 77 -2.394 -3.405 0.181 1.00 0.00 O -ATOM 1313 CB SER A 77 -2.015 -6.627 0.076 1.00 0.00 C -ATOM 1314 OG SER A 77 -1.302 -7.719 -0.484 1.00 0.00 O -ATOM 1315 H SER A 77 -0.458 -4.307 -0.897 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.706 -5.888 -1.813 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.462 -6.254 0.925 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.989 -6.969 0.397 1.00 0.00 H -ATOM 1319 HG SER A 77 -1.128 -7.516 -1.413 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.267 -4.403 -0.488 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.127 -3.362 -0.000 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.471 -3.968 0.425 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.959 -4.906 -0.218 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.308 -2.241 -1.088 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.883 -2.780 -2.388 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.137 -1.091 -0.576 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.704 -5.173 -0.910 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.655 -2.930 0.871 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.320 -1.868 -1.318 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -6.852 -3.217 -2.198 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.220 -3.534 -2.787 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -5.984 -1.977 -3.102 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.651 -0.669 0.293 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -7.125 -1.436 -0.316 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.195 -0.340 -1.350 1.00 0.00 H -ATOM 1336 N GLY A 79 -7.011 -3.500 1.533 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.291 -3.978 1.997 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.340 -4.056 3.498 1.00 0.00 C -ATOM 1339 O GLY A 79 -7.770 -3.210 4.182 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.533 -2.837 2.081 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -9.063 -3.303 1.658 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.468 -4.960 1.586 1.00 0.00 H -ATOM 1343 N LYS A 80 -9.012 -5.042 4.017 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.085 -5.225 5.446 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.052 -6.235 5.892 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.632 -7.098 5.112 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.461 -5.707 5.889 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.612 -4.751 5.615 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.917 -5.288 6.195 1.00 0.00 C -ATOM 1350 CE LYS A 80 -12.851 -5.399 7.723 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -14.047 -6.035 8.292 1.00 0.00 N -ATOM 1352 H LYS A 80 -9.461 -5.679 3.421 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.878 -4.276 5.917 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.678 -6.640 5.390 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.403 -5.885 6.951 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.387 -3.797 6.066 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.722 -4.634 4.546 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -13.716 -4.613 5.924 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.116 -6.263 5.777 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -11.998 -5.990 8.015 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -12.755 -4.405 8.135 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -13.953 -6.109 9.326 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -14.145 -7.003 7.930 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -14.913 -5.501 8.076 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.658 -6.142 7.131 1.00 0.00 N -ATOM 1366 CA ALA A 81 -6.709 -7.052 7.700 1.00 0.00 C -ATOM 1367 C ALA A 81 -7.108 -7.347 9.121 1.00 0.00 C -ATOM 1368 O ALA A 81 -6.930 -6.501 10.005 1.00 0.00 O -ATOM 1369 CB ALA A 81 -5.311 -6.457 7.671 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.037 -5.449 7.713 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.708 -7.958 7.110 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -4.608 -7.171 8.077 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -5.294 -5.561 8.274 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -5.038 -6.216 6.655 1.00 0.00 H -ATOM 1375 N GLU A 82 -7.710 -8.498 9.339 1.00 0.00 N -ATOM 1376 CA GLU A 82 -8.094 -8.887 10.681 1.00 0.00 C -ATOM 1377 C GLU A 82 -6.861 -9.156 11.516 1.00 0.00 C -ATOM 1378 O GLU A 82 -6.755 -8.698 12.650 1.00 0.00 O -ATOM 1379 CB GLU A 82 -9.010 -10.116 10.684 1.00 0.00 C -ATOM 1380 CG GLU A 82 -10.341 -9.906 9.990 1.00 0.00 C -ATOM 1381 CD GLU A 82 -11.092 -8.716 10.534 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -11.328 -8.650 11.766 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -11.433 -7.811 9.751 1.00 0.00 O -ATOM 1384 H GLU A 82 -7.937 -9.091 8.590 1.00 0.00 H -ATOM 1385 HA GLU A 82 -8.623 -8.053 11.118 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -8.500 -10.929 10.189 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -9.201 -10.400 11.707 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -10.162 -9.748 8.937 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -10.948 -10.789 10.121 1.00 0.00 H -ATOM 1390 N ALA A 83 -5.932 -9.886 10.955 1.00 0.00 N -ATOM 1391 CA ALA A 83 -4.716 -10.205 11.651 1.00 0.00 C -ATOM 1392 C ALA A 83 -3.545 -10.367 10.697 1.00 0.00 C -ATOM 1393 O ALA A 83 -2.579 -9.615 10.757 1.00 0.00 O -ATOM 1394 CB ALA A 83 -4.898 -11.468 12.477 1.00 0.00 C -ATOM 1395 H ALA A 83 -6.089 -10.231 10.051 1.00 0.00 H -ATOM 1396 HA ALA A 83 -4.503 -9.395 12.334 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -5.720 -11.331 13.163 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -3.991 -11.672 13.024 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -5.114 -12.299 11.820 1.00 0.00 H -ATOM 1400 N SER A 84 -3.632 -11.319 9.808 1.00 0.00 N -ATOM 1401 CA SER A 84 -2.504 -11.653 8.966 1.00 0.00 C -ATOM 1402 C SER A 84 -2.829 -11.705 7.464 1.00 0.00 C -ATOM 1403 O SER A 84 -1.977 -12.100 6.668 1.00 0.00 O -ATOM 1404 CB SER A 84 -1.940 -12.985 9.463 1.00 0.00 C -ATOM 1405 OG SER A 84 -3.009 -13.863 9.843 1.00 0.00 O -ATOM 1406 H SER A 84 -4.453 -11.853 9.722 1.00 0.00 H -ATOM 1407 HA SER A 84 -1.742 -10.907 9.130 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -1.360 -13.452 8.681 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -1.318 -12.806 10.327 1.00 0.00 H -ATOM 1410 HG SER A 84 -3.053 -14.606 9.225 1.00 0.00 H -ATOM 1411 N GLU A 85 -4.015 -11.239 7.079 1.00 0.00 N -ATOM 1412 CA GLU A 85 -4.494 -11.325 5.676 1.00 0.00 C -ATOM 1413 C GLU A 85 -3.538 -10.624 4.708 1.00 0.00 C -ATOM 1414 O GLU A 85 -3.032 -11.224 3.764 1.00 0.00 O -ATOM 1415 CB GLU A 85 -5.849 -10.629 5.575 1.00 0.00 C -ATOM 1416 CG GLU A 85 -6.630 -10.930 4.308 1.00 0.00 C -ATOM 1417 CD GLU A 85 -7.053 -12.372 4.255 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -7.681 -12.837 5.231 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -6.741 -13.074 3.270 1.00 0.00 O -ATOM 1420 H GLU A 85 -4.615 -10.870 7.759 1.00 0.00 H -ATOM 1421 HA GLU A 85 -4.617 -12.361 5.396 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -6.448 -10.927 6.418 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -5.688 -9.561 5.624 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -7.510 -10.305 4.279 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -6.006 -10.718 3.453 1.00 0.00 H -ATOM 1426 N VAL A 86 -3.228 -9.385 5.013 1.00 0.00 N -ATOM 1427 CA VAL A 86 -2.386 -8.585 4.146 1.00 0.00 C -ATOM 1428 C VAL A 86 -0.923 -8.981 4.269 1.00 0.00 C -ATOM 1429 O VAL A 86 -0.160 -8.834 3.336 1.00 0.00 O -ATOM 1430 CB VAL A 86 -2.571 -7.062 4.398 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -3.994 -6.633 4.063 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -2.226 -6.691 5.839 1.00 0.00 C -ATOM 1433 H VAL A 86 -3.594 -8.993 5.830 1.00 0.00 H -ATOM 1434 HA VAL A 86 -2.697 -8.800 3.134 1.00 0.00 H -ATOM 1435 HB VAL A 86 -1.908 -6.529 3.736 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -4.193 -6.834 3.020 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -4.109 -5.577 4.256 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -4.688 -7.190 4.675 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -1.194 -6.941 6.038 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -2.863 -7.243 6.514 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -2.378 -5.633 5.987 1.00 0.00 H -ATOM 1442 N TYR A 87 -0.562 -9.534 5.413 1.00 0.00 N -ATOM 1443 CA TYR A 87 0.808 -9.943 5.660 1.00 0.00 C -ATOM 1444 C TYR A 87 1.146 -11.166 4.850 1.00 0.00 C -ATOM 1445 O TYR A 87 2.213 -11.237 4.256 1.00 0.00 O -ATOM 1446 CB TYR A 87 1.051 -10.217 7.144 1.00 0.00 C -ATOM 1447 CG TYR A 87 0.972 -8.992 8.021 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 -0.236 -8.560 8.550 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 2.114 -8.269 8.324 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 -0.302 -7.441 9.353 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 2.058 -7.154 9.128 1.00 0.00 C -ATOM 1452 CZ TYR A 87 0.848 -6.743 9.641 1.00 0.00 C -ATOM 1453 OH TYR A 87 0.787 -5.630 10.450 1.00 0.00 O -ATOM 1454 H TYR A 87 -1.250 -9.683 6.092 1.00 0.00 H -ATOM 1455 HA TYR A 87 1.452 -9.134 5.347 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 0.313 -10.924 7.493 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 2.033 -10.651 7.262 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 -1.137 -9.109 8.322 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 3.062 -8.592 7.920 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 -1.251 -7.119 9.754 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 2.961 -6.605 9.345 1.00 0.00 H -ATOM 1462 HH TYR A 87 0.201 -5.837 11.189 1.00 0.00 H -ATOM 1463 N SER A 88 0.201 -12.098 4.793 1.00 0.00 N -ATOM 1464 CA SER A 88 0.376 -13.348 4.076 1.00 0.00 C -ATOM 1465 C SER A 88 0.664 -13.090 2.593 1.00 0.00 C -ATOM 1466 O SER A 88 1.666 -13.569 2.052 1.00 0.00 O -ATOM 1467 CB SER A 88 -0.878 -14.220 4.228 1.00 0.00 C -ATOM 1468 OG SER A 88 -1.181 -14.468 5.606 1.00 0.00 O -ATOM 1469 H SER A 88 -0.653 -11.936 5.247 1.00 0.00 H -ATOM 1470 HA SER A 88 1.216 -13.870 4.510 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -1.718 -13.715 3.774 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -0.715 -15.164 3.731 1.00 0.00 H -ATOM 1473 HG SER A 88 -1.342 -13.621 6.040 1.00 0.00 H -ATOM 1474 N GLU A 89 -0.175 -12.281 1.964 1.00 0.00 N -ATOM 1475 CA GLU A 89 -0.006 -12.000 0.558 1.00 0.00 C -ATOM 1476 C GLU A 89 1.211 -11.136 0.291 1.00 0.00 C -ATOM 1477 O GLU A 89 1.902 -11.333 -0.706 1.00 0.00 O -ATOM 1478 CB GLU A 89 -1.261 -11.399 -0.067 1.00 0.00 C -ATOM 1479 CG GLU A 89 -2.454 -12.334 -0.032 1.00 0.00 C -ATOM 1480 CD GLU A 89 -3.569 -11.886 -0.937 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -3.404 -11.990 -2.182 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -4.632 -11.441 -0.442 1.00 0.00 O -ATOM 1483 H GLU A 89 -0.927 -11.878 2.445 1.00 0.00 H -ATOM 1484 HA GLU A 89 0.179 -12.955 0.088 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -1.518 -10.493 0.465 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -1.053 -11.154 -1.097 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -2.132 -13.315 -0.351 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -2.827 -12.392 0.980 1.00 0.00 H -ATOM 1489 N ALA A 90 1.495 -10.211 1.190 1.00 0.00 N -ATOM 1490 CA ALA A 90 2.636 -9.339 1.031 1.00 0.00 C -ATOM 1491 C ALA A 90 3.945 -10.113 1.101 1.00 0.00 C -ATOM 1492 O ALA A 90 4.790 -9.995 0.209 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.623 -8.209 2.050 1.00 0.00 C -ATOM 1494 H ALA A 90 0.912 -10.103 1.972 1.00 0.00 H -ATOM 1495 HA ALA A 90 2.556 -8.906 0.047 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 3.438 -7.531 1.849 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 2.729 -8.619 3.044 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 1.687 -7.676 1.980 1.00 0.00 H -ATOM 1499 N VAL A 91 4.096 -10.946 2.121 1.00 0.00 N -ATOM 1500 CA VAL A 91 5.334 -11.682 2.298 1.00 0.00 C -ATOM 1501 C VAL A 91 5.513 -12.731 1.195 1.00 0.00 C -ATOM 1502 O VAL A 91 6.611 -12.914 0.687 1.00 0.00 O -ATOM 1503 CB VAL A 91 5.482 -12.309 3.729 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 4.508 -13.449 3.983 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 6.918 -12.737 4.000 1.00 0.00 C -ATOM 1506 H VAL A 91 3.363 -11.064 2.767 1.00 0.00 H -ATOM 1507 HA VAL A 91 6.126 -10.961 2.155 1.00 0.00 H -ATOM 1508 HB VAL A 91 5.234 -11.531 4.436 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 4.666 -13.844 4.975 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 4.669 -14.227 3.252 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 3.495 -13.086 3.896 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 6.987 -13.168 4.987 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 7.570 -11.879 3.938 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 7.216 -13.471 3.266 1.00 0.00 H -ATOM 1515 N LYS A 92 4.422 -13.358 0.772 1.00 0.00 N -ATOM 1516 CA LYS A 92 4.491 -14.363 -0.276 1.00 0.00 C -ATOM 1517 C LYS A 92 4.632 -13.737 -1.659 1.00 0.00 C -ATOM 1518 O LYS A 92 4.864 -14.431 -2.653 1.00 0.00 O -ATOM 1519 CB LYS A 92 3.321 -15.350 -0.222 1.00 0.00 C -ATOM 1520 CG LYS A 92 3.277 -16.213 1.050 1.00 0.00 C -ATOM 1521 CD LYS A 92 4.595 -16.967 1.298 1.00 0.00 C -ATOM 1522 CE LYS A 92 5.008 -17.842 0.112 1.00 0.00 C -ATOM 1523 NZ LYS A 92 4.040 -18.927 -0.176 1.00 0.00 N -ATOM 1524 H LYS A 92 3.551 -13.153 1.183 1.00 0.00 H -ATOM 1525 HA LYS A 92 5.406 -14.908 -0.098 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 2.399 -14.791 -0.282 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 3.380 -16.008 -1.077 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 3.085 -15.569 1.896 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 2.473 -16.927 0.958 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 5.382 -16.256 1.494 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 4.468 -17.598 2.165 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 5.089 -17.214 -0.763 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 5.976 -18.272 0.320 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 3.972 -19.603 0.611 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 4.356 -19.436 -1.026 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 3.097 -18.537 -0.374 1.00 0.00 H -ATOM 1537 N ARG A 93 4.448 -12.443 -1.740 1.00 0.00 N -ATOM 1538 CA ARG A 93 4.649 -11.757 -2.989 1.00 0.00 C -ATOM 1539 C ARG A 93 6.126 -11.467 -3.156 1.00 0.00 C -ATOM 1540 O ARG A 93 6.684 -11.533 -4.268 1.00 0.00 O -ATOM 1541 CB ARG A 93 3.822 -10.473 -3.057 1.00 0.00 C -ATOM 1542 CG ARG A 93 3.766 -9.842 -4.437 1.00 0.00 C -ATOM 1543 CD ARG A 93 3.226 -10.837 -5.452 1.00 0.00 C -ATOM 1544 NE ARG A 93 2.992 -10.232 -6.744 1.00 0.00 N -ATOM 1545 CZ ARG A 93 2.975 -10.863 -7.912 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 3.350 -12.142 -8.012 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 2.624 -10.185 -8.980 1.00 0.00 N -ATOM 1548 H ARG A 93 4.145 -11.946 -0.949 1.00 0.00 H -ATOM 1549 HA ARG A 93 4.345 -12.426 -3.773 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 2.812 -10.691 -2.741 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 4.249 -9.753 -2.374 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 3.116 -8.981 -4.412 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 4.760 -9.543 -4.732 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 3.953 -11.624 -5.585 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 2.301 -11.255 -5.082 1.00 0.00 H -ATOM 1556 HE ARG A 93 2.777 -9.264 -6.747 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 3.661 -12.667 -7.216 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 3.340 -12.621 -8.895 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 2.398 -9.212 -8.845 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 2.520 -10.570 -9.903 1.00 0.00 H -ATOM 1561 N ILE A 94 6.757 -11.199 -2.052 1.00 0.00 N -ATOM 1562 CA ILE A 94 8.160 -10.916 -2.019 1.00 0.00 C -ATOM 1563 C ILE A 94 8.953 -12.223 -2.097 1.00 0.00 C -ATOM 1564 O ILE A 94 9.847 -12.361 -2.927 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.509 -10.124 -0.740 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 7.685 -8.831 -0.728 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 10.005 -9.811 -0.684 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 7.752 -8.068 0.560 1.00 0.00 C -ATOM 1569 H ILE A 94 6.246 -11.186 -1.214 1.00 0.00 H -ATOM 1570 HA ILE A 94 8.395 -10.307 -2.878 1.00 0.00 H -ATOM 1571 HB ILE A 94 8.239 -10.710 0.126 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 8.042 -8.177 -1.511 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 6.651 -9.075 -0.921 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 10.226 -9.262 0.220 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 10.280 -9.219 -1.544 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 10.561 -10.736 -0.691 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 7.150 -7.177 0.469 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 8.778 -7.814 0.780 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 7.344 -8.700 1.334 1.00 0.00 H -ATOM 1580 N LEU A 95 8.584 -13.185 -1.277 1.00 0.00 N -ATOM 1581 CA LEU A 95 9.262 -14.467 -1.248 1.00 0.00 C -ATOM 1582 C LEU A 95 8.806 -15.342 -2.395 1.00 0.00 C -ATOM 1583 O LEU A 95 9.418 -15.266 -3.479 1.00 0.00 O -ATOM 1584 CB LEU A 95 9.042 -15.182 0.087 1.00 0.00 C -ATOM 1585 CG LEU A 95 9.601 -14.483 1.323 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 9.272 -15.280 2.565 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 11.103 -14.300 1.198 1.00 0.00 C -ATOM 1588 OXT LEU A 95 7.855 -16.122 -2.242 1.00 0.00 O -ATOM 1589 H LEU A 95 7.825 -13.050 -0.667 1.00 0.00 H -ATOM 1590 HA LEU A 95 10.318 -14.280 -1.371 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 7.978 -15.304 0.226 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 9.491 -16.162 0.022 1.00 0.00 H -ATOM 1593 HG LEU A 95 9.145 -13.508 1.420 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 9.725 -16.258 2.502 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 8.201 -15.388 2.648 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 9.648 -14.761 3.435 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 11.570 -15.266 1.079 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 11.475 -13.829 2.096 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 11.329 -13.678 0.345 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 6 -ATOM 1 N MET A 1 10.761 15.733 -2.178 1.00 0.00 N -ATOM 2 CA MET A 1 11.071 14.554 -2.953 1.00 0.00 C -ATOM 3 C MET A 1 9.784 13.797 -3.125 1.00 0.00 C -ATOM 4 O MET A 1 8.932 13.852 -2.250 1.00 0.00 O -ATOM 5 CB MET A 1 12.095 13.687 -2.213 1.00 0.00 C -ATOM 6 CG MET A 1 12.599 12.486 -3.002 1.00 0.00 C -ATOM 7 SD MET A 1 13.770 11.484 -2.069 1.00 0.00 S -ATOM 8 CE MET A 1 14.187 10.241 -3.284 1.00 0.00 C -ATOM 9 H MET A 1 11.600 16.306 -1.969 1.00 0.00 H -ATOM 10 HA MET A 1 11.459 14.863 -3.911 1.00 0.00 H -ATOM 11 HB2 MET A 1 12.947 14.295 -1.949 1.00 0.00 H -ATOM 12 HB3 MET A 1 11.628 13.321 -1.312 1.00 0.00 H -ATOM 13 HG2 MET A 1 11.757 11.867 -3.274 1.00 0.00 H -ATOM 14 HG3 MET A 1 13.088 12.842 -3.896 1.00 0.00 H -ATOM 15 HE1 MET A 1 14.631 10.716 -4.147 1.00 0.00 H -ATOM 16 HE2 MET A 1 13.295 9.712 -3.583 1.00 0.00 H -ATOM 17 HE3 MET A 1 14.894 9.547 -2.853 1.00 0.00 H -ATOM 18 N ALA A 2 9.618 13.141 -4.235 1.00 0.00 N -ATOM 19 CA ALA A 2 8.435 12.366 -4.487 1.00 0.00 C -ATOM 20 C ALA A 2 8.814 11.024 -5.065 1.00 0.00 C -ATOM 21 O ALA A 2 9.795 10.908 -5.815 1.00 0.00 O -ATOM 22 CB ALA A 2 7.488 13.106 -5.424 1.00 0.00 C -ATOM 23 H ALA A 2 10.318 13.172 -4.923 1.00 0.00 H -ATOM 24 HA ALA A 2 7.933 12.211 -3.544 1.00 0.00 H -ATOM 25 HB1 ALA A 2 7.232 14.065 -4.998 1.00 0.00 H -ATOM 26 HB2 ALA A 2 6.590 12.520 -5.557 1.00 0.00 H -ATOM 27 HB3 ALA A 2 7.969 13.252 -6.380 1.00 0.00 H -ATOM 28 N TYR A 3 8.086 10.021 -4.683 1.00 0.00 N -ATOM 29 CA TYR A 3 8.287 8.682 -5.180 1.00 0.00 C -ATOM 30 C TYR A 3 7.163 8.335 -6.132 1.00 0.00 C -ATOM 31 O TYR A 3 6.172 9.071 -6.228 1.00 0.00 O -ATOM 32 CB TYR A 3 8.332 7.660 -4.027 1.00 0.00 C -ATOM 33 CG TYR A 3 9.540 7.761 -3.102 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.836 8.933 -2.408 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.363 6.664 -2.901 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.911 9.005 -1.553 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.444 6.731 -2.048 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.714 7.902 -1.376 1.00 0.00 C -ATOM 39 OH TYR A 3 12.780 7.963 -0.506 1.00 0.00 O -ATOM 40 H TYR A 3 7.369 10.183 -4.035 1.00 0.00 H -ATOM 41 HA TYR A 3 9.225 8.658 -5.713 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.448 7.766 -3.418 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.333 6.671 -4.459 1.00 0.00 H -ATOM 44 HD1 TYR A 3 9.204 9.798 -2.550 1.00 0.00 H -ATOM 45 HD2 TYR A 3 10.153 5.745 -3.429 1.00 0.00 H -ATOM 46 HE1 TYR A 3 11.122 9.923 -1.026 1.00 0.00 H -ATOM 47 HE2 TYR A 3 12.076 5.868 -1.907 1.00 0.00 H -ATOM 48 HH TYR A 3 13.468 7.375 -0.870 1.00 0.00 H -ATOM 49 N PHE A 4 7.317 7.254 -6.834 1.00 0.00 N -ATOM 50 CA PHE A 4 6.322 6.791 -7.770 1.00 0.00 C -ATOM 51 C PHE A 4 5.420 5.792 -7.081 1.00 0.00 C -ATOM 52 O PHE A 4 5.785 5.268 -6.055 1.00 0.00 O -ATOM 53 CB PHE A 4 7.018 6.186 -8.989 1.00 0.00 C -ATOM 54 CG PHE A 4 7.870 7.197 -9.700 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.291 8.194 -10.463 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.246 7.167 -9.584 1.00 0.00 C -ATOM 57 CE1 PHE A 4 8.065 9.139 -11.095 1.00 0.00 C -ATOM 58 CE2 PHE A 4 10.026 8.107 -10.213 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.437 9.097 -10.970 1.00 0.00 C -ATOM 60 H PHE A 4 8.141 6.727 -6.724 1.00 0.00 H -ATOM 61 HA PHE A 4 5.734 7.640 -8.080 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.667 5.396 -8.639 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.308 5.764 -9.683 1.00 0.00 H -ATOM 64 HD1 PHE A 4 6.217 8.230 -10.559 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.712 6.392 -8.991 1.00 0.00 H -ATOM 66 HE1 PHE A 4 7.599 9.911 -11.687 1.00 0.00 H -ATOM 67 HE2 PHE A 4 11.100 8.067 -10.113 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.048 9.838 -11.463 1.00 0.00 H -ATOM 69 N LEU A 5 4.248 5.559 -7.610 1.00 0.00 N -ATOM 70 CA LEU A 5 3.320 4.625 -6.992 1.00 0.00 C -ATOM 71 C LEU A 5 2.908 3.588 -8.039 1.00 0.00 C -ATOM 72 O LEU A 5 2.584 3.951 -9.181 1.00 0.00 O -ATOM 73 CB LEU A 5 2.082 5.416 -6.462 1.00 0.00 C -ATOM 74 CG LEU A 5 1.157 4.758 -5.384 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.469 3.500 -5.865 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.916 4.480 -4.105 1.00 0.00 C -ATOM 77 H LEU A 5 3.973 6.017 -8.433 1.00 0.00 H -ATOM 78 HA LEU A 5 3.820 4.139 -6.167 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.442 6.348 -6.052 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.470 5.655 -7.318 1.00 0.00 H -ATOM 81 HG LEU A 5 0.375 5.465 -5.147 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.194 3.733 -6.685 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.087 3.071 -5.044 1.00 0.00 H -ATOM 84 HD13 LEU A 5 1.217 2.793 -6.191 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.738 3.811 -4.311 1.00 0.00 H -ATOM 86 HD22 LEU A 5 1.250 4.012 -3.395 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.290 5.403 -3.688 1.00 0.00 H -ATOM 88 N ASP A 6 2.949 2.324 -7.683 1.00 0.00 N -ATOM 89 CA ASP A 6 2.501 1.256 -8.577 1.00 0.00 C -ATOM 90 C ASP A 6 1.784 0.196 -7.757 1.00 0.00 C -ATOM 91 O ASP A 6 2.002 0.099 -6.548 1.00 0.00 O -ATOM 92 CB ASP A 6 3.678 0.641 -9.358 1.00 0.00 C -ATOM 93 CG ASP A 6 3.222 -0.269 -10.491 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.283 0.104 -11.217 1.00 0.00 O -ATOM 95 OD2 ASP A 6 3.842 -1.317 -10.742 1.00 0.00 O -ATOM 96 H ASP A 6 3.282 2.078 -6.788 1.00 0.00 H -ATOM 97 HA ASP A 6 1.793 1.690 -9.268 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.286 1.430 -9.775 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.268 0.054 -8.670 1.00 0.00 H -ATOM 100 N PHE A 7 0.933 -0.572 -8.383 1.00 0.00 N -ATOM 101 CA PHE A 7 0.139 -1.566 -7.677 1.00 0.00 C -ATOM 102 C PHE A 7 0.479 -2.964 -8.144 1.00 0.00 C -ATOM 103 O PHE A 7 0.832 -3.173 -9.305 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.365 -1.342 -7.908 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.928 -0.036 -7.414 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -1.936 1.086 -8.227 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.473 0.060 -6.146 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.475 2.277 -7.785 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -3.010 1.250 -5.696 1.00 0.00 C -ATOM 110 CZ PHE A 7 -3.012 2.359 -6.516 1.00 0.00 C -ATOM 111 H PHE A 7 0.858 -0.501 -9.358 1.00 0.00 H -ATOM 112 HA PHE A 7 0.339 -1.476 -6.621 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.559 -1.393 -8.969 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.906 -2.143 -7.426 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.513 1.020 -9.219 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.473 -0.806 -5.504 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.476 3.144 -8.429 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.431 1.312 -4.702 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.435 3.291 -6.167 1.00 0.00 H -ATOM 120 N ASP A 8 0.385 -3.904 -7.238 1.00 0.00 N -ATOM 121 CA ASP A 8 0.534 -5.319 -7.555 1.00 0.00 C -ATOM 122 C ASP A 8 -0.717 -5.757 -8.296 1.00 0.00 C -ATOM 123 O ASP A 8 -1.781 -5.141 -8.126 1.00 0.00 O -ATOM 124 CB ASP A 8 0.670 -6.141 -6.263 1.00 0.00 C -ATOM 125 CG ASP A 8 1.079 -7.578 -6.503 1.00 0.00 C -ATOM 126 OD1 ASP A 8 0.215 -8.431 -6.819 1.00 0.00 O -ATOM 127 OD2 ASP A 8 2.272 -7.885 -6.355 1.00 0.00 O -ATOM 128 H ASP A 8 0.236 -3.656 -6.300 1.00 0.00 H -ATOM 129 HA ASP A 8 1.406 -5.457 -8.177 1.00 0.00 H -ATOM 130 HB2 ASP A 8 1.409 -5.679 -5.627 1.00 0.00 H -ATOM 131 HB3 ASP A 8 -0.281 -6.137 -5.751 1.00 0.00 H -ATOM 132 N GLU A 9 -0.617 -6.788 -9.101 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.750 -7.259 -9.871 1.00 0.00 C -ATOM 134 C GLU A 9 -2.894 -7.726 -8.939 1.00 0.00 C -ATOM 135 O GLU A 9 -4.075 -7.573 -9.267 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.306 -8.344 -10.878 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.929 -9.684 -10.288 1.00 0.00 C -ATOM 138 CD GLU A 9 -2.031 -10.682 -10.450 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -2.974 -10.688 -9.641 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -2.002 -11.457 -11.399 1.00 0.00 O -ATOM 141 H GLU A 9 0.245 -7.249 -9.168 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.117 -6.403 -10.418 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.116 -8.515 -11.570 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.461 -7.964 -11.431 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -0.031 -10.066 -10.749 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -0.778 -9.547 -9.228 1.00 0.00 H -ATOM 147 N ARG A 10 -2.533 -8.264 -7.770 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.506 -8.657 -6.754 1.00 0.00 C -ATOM 149 C ARG A 10 -4.183 -7.436 -6.207 1.00 0.00 C -ATOM 150 O ARG A 10 -5.415 -7.368 -6.108 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.798 -9.364 -5.619 1.00 0.00 C -ATOM 152 CG ARG A 10 -2.405 -10.787 -5.896 1.00 0.00 C -ATOM 153 CD ARG A 10 -3.519 -11.750 -5.531 1.00 0.00 C -ATOM 154 NE ARG A 10 -4.727 -11.642 -6.356 1.00 0.00 N -ATOM 155 CZ ARG A 10 -5.979 -11.544 -5.866 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -6.189 -11.295 -4.571 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -7.009 -11.693 -6.673 1.00 0.00 N -ATOM 158 H ARG A 10 -1.576 -8.404 -7.581 1.00 0.00 H -ATOM 159 HA ARG A 10 -4.232 -9.327 -7.192 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.904 -8.811 -5.376 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.453 -9.355 -4.761 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -2.168 -10.897 -6.944 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -1.537 -11.024 -5.299 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -3.133 -12.752 -5.615 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -3.775 -11.544 -4.503 1.00 0.00 H -ATOM 166 HE ARG A 10 -4.559 -11.755 -7.321 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -5.445 -11.171 -3.907 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -7.107 -11.234 -4.174 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -6.889 -11.889 -7.652 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -7.961 -11.635 -6.361 1.00 0.00 H -ATOM 171 N ALA A 11 -3.360 -6.456 -5.899 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.803 -5.199 -5.343 1.00 0.00 C -ATOM 173 C ALA A 11 -4.773 -4.497 -6.276 1.00 0.00 C -ATOM 174 O ALA A 11 -5.723 -3.916 -5.820 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.617 -4.302 -5.018 1.00 0.00 C -ATOM 176 H ALA A 11 -2.407 -6.614 -6.057 1.00 0.00 H -ATOM 177 HA ALA A 11 -4.319 -5.422 -4.422 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.946 -4.821 -4.348 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -2.966 -3.395 -4.550 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -2.093 -4.057 -5.930 1.00 0.00 H -ATOM 181 N LEU A 12 -4.550 -4.611 -7.585 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.423 -3.995 -8.576 1.00 0.00 C -ATOM 183 C LEU A 12 -6.811 -4.596 -8.536 1.00 0.00 C -ATOM 184 O LEU A 12 -7.809 -3.887 -8.607 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.839 -4.130 -9.977 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.650 -3.230 -10.310 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.103 -3.576 -11.685 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.080 -1.767 -10.270 1.00 0.00 C -ATOM 189 H LEU A 12 -3.775 -5.126 -7.900 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.502 -2.947 -8.333 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.528 -5.157 -10.105 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.628 -3.929 -10.682 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.868 -3.375 -9.580 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -3.876 -3.428 -12.425 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.784 -4.607 -11.698 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -2.263 -2.935 -11.912 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -3.242 -1.139 -10.536 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -4.419 -1.505 -9.279 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.885 -1.604 -10.972 1.00 0.00 H -ATOM 200 N LYS A 13 -6.862 -5.889 -8.379 1.00 0.00 N -ATOM 201 CA LYS A 13 -8.111 -6.616 -8.331 1.00 0.00 C -ATOM 202 C LYS A 13 -8.893 -6.233 -7.085 1.00 0.00 C -ATOM 203 O LYS A 13 -10.103 -6.008 -7.137 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.815 -8.105 -8.360 1.00 0.00 C -ATOM 205 CG LYS A 13 -7.134 -8.536 -9.644 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.573 -9.926 -9.535 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.954 -10.381 -10.851 1.00 0.00 C -ATOM 208 NZ LYS A 13 -4.844 -9.519 -11.264 1.00 0.00 N -ATOM 209 H LYS A 13 -6.020 -6.381 -8.281 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.686 -6.356 -9.207 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -7.170 -8.350 -7.528 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.739 -8.653 -8.265 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.854 -8.516 -10.450 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -6.332 -7.845 -9.859 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.799 -9.885 -8.782 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -7.351 -10.608 -9.232 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -5.537 -11.365 -10.698 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -6.704 -10.405 -11.626 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -5.114 -8.517 -11.326 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -4.474 -9.815 -12.191 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -4.079 -9.629 -10.564 1.00 0.00 H -ATOM 222 N GLU A 14 -8.200 -6.146 -5.974 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.804 -5.739 -4.723 1.00 0.00 C -ATOM 224 C GLU A 14 -9.194 -4.245 -4.749 1.00 0.00 C -ATOM 225 O GLU A 14 -10.226 -3.860 -4.233 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.870 -6.071 -3.572 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.618 -7.571 -3.432 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.848 -8.337 -2.973 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -9.719 -8.657 -3.799 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -8.982 -8.605 -1.759 1.00 0.00 O -ATOM 231 H GLU A 14 -7.246 -6.386 -5.980 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.711 -6.315 -4.615 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.925 -5.576 -3.739 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.302 -5.714 -2.650 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -7.332 -7.947 -4.403 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.806 -7.734 -2.741 1.00 0.00 H -ATOM 237 N TRP A 15 -8.367 -3.438 -5.381 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.592 -1.990 -5.570 1.00 0.00 C -ATOM 239 C TRP A 15 -9.870 -1.738 -6.378 1.00 0.00 C -ATOM 240 O TRP A 15 -10.673 -0.842 -6.069 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.362 -1.422 -6.309 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.436 0.001 -6.749 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.820 0.456 -7.977 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -7.070 1.147 -5.989 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.743 1.820 -8.019 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.276 2.273 -6.810 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.593 1.333 -4.690 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -7.020 3.565 -6.370 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.337 2.612 -4.258 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.548 3.709 -5.092 1.00 0.00 C -ATOM 251 H TRP A 15 -7.527 -3.816 -5.728 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.674 -1.514 -4.603 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.502 -1.507 -5.663 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.188 -2.034 -7.182 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -8.146 -0.184 -8.784 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.981 2.366 -8.802 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.424 0.493 -4.032 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -7.179 4.428 -7.000 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.963 2.777 -3.258 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.323 4.687 -4.699 1.00 0.00 H -ATOM 261 N ARG A 16 -10.051 -2.525 -7.408 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.220 -2.428 -8.257 1.00 0.00 C -ATOM 263 C ARG A 16 -12.449 -3.009 -7.561 1.00 0.00 C -ATOM 264 O ARG A 16 -13.597 -2.649 -7.876 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.948 -3.090 -9.598 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.889 -2.357 -10.403 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.540 -3.081 -11.681 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.499 -2.364 -12.435 1.00 0.00 N -ATOM 269 CZ ARG A 16 -7.651 -2.927 -13.304 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -7.719 -4.232 -13.551 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -6.731 -2.178 -13.918 1.00 0.00 N -ATOM 272 H ARG A 16 -9.354 -3.189 -7.616 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.402 -1.376 -8.418 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.604 -4.098 -9.418 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.860 -3.123 -10.174 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.252 -1.371 -10.652 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.999 -2.265 -9.798 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.179 -4.068 -11.433 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -10.427 -3.162 -12.293 1.00 0.00 H -ATOM 280 HE ARG A 16 -8.454 -1.394 -12.250 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.388 -4.830 -13.103 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -7.110 -4.694 -14.201 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -6.668 -1.192 -13.740 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -6.055 -2.554 -14.560 1.00 0.00 H -ATOM 285 N LYS A 17 -12.201 -3.879 -6.610 1.00 0.00 N -ATOM 286 CA LYS A 17 -13.236 -4.461 -5.779 1.00 0.00 C -ATOM 287 C LYS A 17 -13.709 -3.416 -4.759 1.00 0.00 C -ATOM 288 O LYS A 17 -14.909 -3.296 -4.478 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.671 -5.670 -5.031 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.674 -6.401 -4.163 1.00 0.00 C -ATOM 291 CD LYS A 17 -13.003 -7.445 -3.281 1.00 0.00 C -ATOM 292 CE LYS A 17 -12.116 -6.812 -2.214 1.00 0.00 C -ATOM 293 NZ LYS A 17 -11.537 -7.823 -1.305 1.00 0.00 N -ATOM 294 H LYS A 17 -11.272 -4.164 -6.473 1.00 0.00 H -ATOM 295 HA LYS A 17 -14.060 -4.776 -6.402 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -12.270 -6.372 -5.749 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.864 -5.321 -4.403 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -14.179 -5.684 -3.533 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -14.395 -6.888 -4.801 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -13.770 -8.024 -2.786 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -12.401 -8.094 -3.900 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -11.307 -6.285 -2.696 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -12.704 -6.113 -1.639 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -10.784 -8.373 -1.779 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -12.282 -8.481 -0.998 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -11.136 -7.360 -0.464 1.00 0.00 H -ATOM 307 N LEU A 18 -12.746 -2.672 -4.228 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.961 -1.630 -3.228 1.00 0.00 C -ATOM 309 C LEU A 18 -13.891 -0.549 -3.706 1.00 0.00 C -ATOM 310 O LEU A 18 -13.923 -0.213 -4.899 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.637 -0.992 -2.821 1.00 0.00 C -ATOM 312 CG LEU A 18 -11.116 -1.328 -1.431 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.902 -2.818 -1.251 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.846 -0.563 -1.160 1.00 0.00 C -ATOM 315 H LEU A 18 -11.822 -2.839 -4.520 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.386 -2.092 -2.350 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.888 -1.286 -3.540 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.760 0.080 -2.881 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.850 -1.006 -0.709 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -11.838 -3.331 -1.413 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -10.559 -3.009 -0.245 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.168 -3.169 -1.962 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.483 -0.802 -0.172 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -10.065 0.494 -1.216 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.100 -0.818 -1.897 1.00 0.00 H -ATOM 326 N GLY A 19 -14.636 -0.009 -2.777 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.556 1.048 -3.066 1.00 0.00 C -ATOM 328 C GLY A 19 -14.826 2.310 -3.380 1.00 0.00 C -ATOM 329 O GLY A 19 -13.751 2.560 -2.812 1.00 0.00 O -ATOM 330 H GLY A 19 -14.540 -0.319 -1.851 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.162 0.769 -3.914 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.190 1.212 -2.208 1.00 0.00 H -ATOM 333 N SER A 20 -15.392 3.093 -4.264 1.00 0.00 N -ATOM 334 CA SER A 20 -14.802 4.312 -4.758 1.00 0.00 C -ATOM 335 C SER A 20 -14.377 5.254 -3.621 1.00 0.00 C -ATOM 336 O SER A 20 -13.254 5.729 -3.607 1.00 0.00 O -ATOM 337 CB SER A 20 -15.802 4.978 -5.682 1.00 0.00 C -ATOM 338 OG SER A 20 -16.324 4.014 -6.595 1.00 0.00 O -ATOM 339 H SER A 20 -16.269 2.857 -4.638 1.00 0.00 H -ATOM 340 HA SER A 20 -13.931 4.049 -5.338 1.00 0.00 H -ATOM 341 HB2 SER A 20 -16.609 5.400 -5.103 1.00 0.00 H -ATOM 342 HB3 SER A 20 -15.312 5.758 -6.245 1.00 0.00 H -ATOM 343 HG SER A 20 -16.483 4.467 -7.430 1.00 0.00 H -ATOM 344 N THR A 21 -15.239 5.443 -2.643 1.00 0.00 N -ATOM 345 CA THR A 21 -14.957 6.344 -1.537 1.00 0.00 C -ATOM 346 C THR A 21 -13.820 5.785 -0.645 1.00 0.00 C -ATOM 347 O THR A 21 -12.967 6.541 -0.147 1.00 0.00 O -ATOM 348 CB THR A 21 -16.225 6.585 -0.692 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.320 6.928 -1.560 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.009 7.721 0.294 1.00 0.00 C -ATOM 351 H THR A 21 -16.087 4.951 -2.662 1.00 0.00 H -ATOM 352 HA THR A 21 -14.632 7.285 -1.956 1.00 0.00 H -ATOM 353 HB THR A 21 -16.458 5.683 -0.149 1.00 0.00 H -ATOM 354 HG1 THR A 21 -16.947 7.449 -2.282 1.00 0.00 H -ATOM 355 HG21 THR A 21 -15.755 8.621 -0.246 1.00 0.00 H -ATOM 356 HG22 THR A 21 -15.204 7.466 0.968 1.00 0.00 H -ATOM 357 HG23 THR A 21 -16.915 7.885 0.857 1.00 0.00 H -ATOM 358 N VAL A 22 -13.794 4.468 -0.470 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.766 3.822 0.328 1.00 0.00 C -ATOM 360 C VAL A 22 -11.417 3.911 -0.376 1.00 0.00 C -ATOM 361 O VAL A 22 -10.414 4.315 0.220 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.135 2.340 0.639 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -11.949 1.578 1.212 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.296 2.289 1.623 1.00 0.00 C -ATOM 365 H VAL A 22 -14.477 3.905 -0.900 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.697 4.367 1.259 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.448 1.860 -0.276 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -12.252 0.573 1.466 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -11.582 2.084 2.090 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -11.164 1.535 0.471 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.010 2.780 2.541 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -14.543 1.261 1.841 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -15.156 2.788 1.204 1.00 0.00 H -ATOM 374 N ARG A 23 -11.410 3.592 -1.650 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.197 3.662 -2.423 1.00 0.00 C -ATOM 376 C ARG A 23 -9.713 5.091 -2.603 1.00 0.00 C -ATOM 377 O ARG A 23 -8.522 5.313 -2.678 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.253 2.908 -3.736 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.360 3.315 -4.655 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.128 2.723 -6.014 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.200 3.035 -6.951 1.00 0.00 N -ATOM 382 CZ ARG A 23 -12.812 2.150 -7.741 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.528 0.840 -7.655 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.730 2.569 -8.602 1.00 0.00 N -ATOM 385 H ARG A 23 -12.251 3.300 -2.069 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.457 3.190 -1.792 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.320 3.060 -4.259 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.360 1.853 -3.525 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.268 2.895 -4.245 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.463 4.391 -4.691 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.200 3.143 -6.375 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -11.025 1.652 -5.918 1.00 0.00 H -ATOM 393 HE ARG A 23 -12.448 3.989 -7.007 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -11.856 0.464 -7.008 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -12.998 0.186 -8.253 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -13.968 3.541 -8.669 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -14.218 1.946 -9.217 1.00 0.00 H -ATOM 398 N GLU A 24 -10.641 6.053 -2.707 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.266 7.467 -2.785 1.00 0.00 C -ATOM 400 C GLU A 24 -9.426 7.857 -1.610 1.00 0.00 C -ATOM 401 O GLU A 24 -8.378 8.454 -1.780 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.461 8.384 -2.768 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.157 8.601 -4.071 1.00 0.00 C -ATOM 404 CD GLU A 24 -13.120 9.732 -3.932 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -14.227 9.526 -3.401 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -12.762 10.878 -4.271 1.00 0.00 O -ATOM 407 H GLU A 24 -11.593 5.809 -2.759 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.714 7.632 -3.697 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.184 7.937 -2.101 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.181 9.337 -2.344 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -11.428 8.840 -4.832 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.704 7.710 -4.345 1.00 0.00 H -ATOM 413 N GLN A 25 -9.886 7.496 -0.428 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.179 7.815 0.807 1.00 0.00 C -ATOM 415 C GLN A 25 -7.775 7.244 0.779 1.00 0.00 C -ATOM 416 O GLN A 25 -6.812 7.916 1.140 1.00 0.00 O -ATOM 417 CB GLN A 25 -9.949 7.285 1.996 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.158 8.105 2.390 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.087 7.345 3.309 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -11.938 7.350 4.545 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.057 6.698 2.721 1.00 0.00 N -ATOM 422 H GLN A 25 -10.722 6.977 -0.402 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.117 8.891 0.880 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.307 6.303 1.728 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.288 7.210 2.846 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -10.827 8.999 2.899 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -11.700 8.379 1.497 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.092 6.758 1.737 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -13.708 6.224 3.276 1.00 0.00 H -ATOM 430 N LEU A 26 -7.667 6.030 0.292 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.390 5.367 0.157 1.00 0.00 C -ATOM 432 C LEU A 26 -5.517 6.060 -0.881 1.00 0.00 C -ATOM 433 O LEU A 26 -4.349 6.305 -0.633 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.589 3.905 -0.198 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.301 3.057 0.865 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.518 1.657 0.362 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.501 3.029 2.167 1.00 0.00 C -ATOM 438 H LEU A 26 -8.484 5.560 0.022 1.00 0.00 H -ATOM 439 HA LEU A 26 -5.888 5.425 1.112 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.166 3.889 -1.112 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.622 3.469 -0.399 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.271 3.484 1.074 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.026 1.074 1.116 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -6.564 1.203 0.140 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.118 1.684 -0.536 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -7.003 2.394 2.881 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -6.429 4.028 2.572 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -5.509 2.646 1.975 1.00 0.00 H -ATOM 449 N LYS A 27 -6.101 6.398 -2.029 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.381 7.089 -3.102 1.00 0.00 C -ATOM 451 C LYS A 27 -4.843 8.431 -2.608 1.00 0.00 C -ATOM 452 O LYS A 27 -3.690 8.791 -2.864 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.313 7.368 -4.274 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.594 7.981 -5.463 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.545 8.440 -6.552 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.384 9.623 -6.095 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.238 10.140 -7.171 1.00 0.00 N -ATOM 458 H LYS A 27 -7.042 6.146 -2.172 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.566 6.467 -3.441 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.825 6.469 -4.578 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.055 8.068 -3.925 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.051 8.838 -5.093 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -4.900 7.257 -5.861 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -5.966 8.736 -7.415 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.198 7.624 -6.818 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -8.005 9.332 -5.261 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.701 10.399 -5.786 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -7.649 10.494 -7.952 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -8.856 10.905 -6.836 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -8.844 9.389 -7.554 1.00 0.00 H -ATOM 471 N LYS A 28 -5.685 9.147 -1.890 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.339 10.437 -1.323 1.00 0.00 C -ATOM 473 C LYS A 28 -4.211 10.283 -0.321 1.00 0.00 C -ATOM 474 O LYS A 28 -3.332 11.137 -0.222 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.577 11.103 -0.705 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.641 11.415 -1.746 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.950 11.868 -1.129 1.00 0.00 C -ATOM 478 CE LYS A 28 -10.010 12.024 -2.210 1.00 0.00 C -ATOM 479 NZ LYS A 28 -11.335 12.373 -1.665 1.00 0.00 N -ATOM 480 H LYS A 28 -6.591 8.784 -1.765 1.00 0.00 H -ATOM 481 HA LYS A 28 -4.987 11.046 -2.142 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -7.004 10.441 0.032 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.289 12.030 -0.231 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.277 12.199 -2.392 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -7.817 10.524 -2.331 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.275 11.131 -0.410 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.804 12.817 -0.636 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -9.696 12.809 -2.879 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.079 11.096 -2.756 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -12.039 12.424 -2.428 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -11.319 13.294 -1.185 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -11.665 11.662 -0.979 1.00 0.00 H -ATOM 493 N LYS A 29 -4.217 9.176 0.390 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.152 8.856 1.308 1.00 0.00 C -ATOM 495 C LYS A 29 -1.877 8.500 0.585 1.00 0.00 C -ATOM 496 O LYS A 29 -0.785 8.819 1.049 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.548 7.753 2.270 1.00 0.00 C -ATOM 498 CG LYS A 29 -3.920 8.265 3.640 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.114 9.185 3.610 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.292 9.841 4.947 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.156 10.738 5.260 1.00 0.00 N -ATOM 502 H LYS A 29 -4.972 8.555 0.296 1.00 0.00 H -ATOM 503 HA LYS A 29 -2.957 9.747 1.883 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.395 7.224 1.859 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.718 7.070 2.370 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.147 7.430 4.284 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.075 8.805 4.040 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -4.957 9.947 2.860 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.000 8.615 3.374 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.220 10.391 4.971 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.307 9.040 5.672 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -3.964 11.415 4.488 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -3.282 10.209 5.443 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.373 11.295 6.110 1.00 0.00 H -ATOM 515 N LEU A 30 -2.013 7.857 -0.542 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.880 7.481 -1.348 1.00 0.00 C -ATOM 517 C LEU A 30 -0.216 8.704 -1.950 1.00 0.00 C -ATOM 518 O LEU A 30 0.995 8.850 -1.876 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.283 6.501 -2.453 1.00 0.00 C -ATOM 520 CG LEU A 30 -1.874 5.169 -1.989 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.241 4.305 -3.176 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -0.912 4.439 -1.061 1.00 0.00 C -ATOM 523 H LEU A 30 -2.918 7.605 -0.832 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.176 6.989 -0.695 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.011 6.990 -3.083 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.407 6.289 -3.048 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.785 5.368 -1.443 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -1.357 4.115 -3.766 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -2.976 4.818 -3.779 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -2.652 3.369 -2.828 1.00 0.00 H -ATOM 531 HD21 LEU A 30 0.030 4.280 -1.562 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -1.338 3.484 -0.791 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.756 5.029 -0.169 1.00 0.00 H -ATOM 534 N VAL A 31 -1.013 9.605 -2.503 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.470 10.790 -3.144 1.00 0.00 C -ATOM 536 C VAL A 31 0.263 11.693 -2.124 1.00 0.00 C -ATOM 537 O VAL A 31 1.337 12.228 -2.421 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.550 11.576 -3.968 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -2.600 12.231 -3.095 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -0.915 12.586 -4.902 1.00 0.00 C -ATOM 541 H VAL A 31 -1.986 9.452 -2.490 1.00 0.00 H -ATOM 542 HA VAL A 31 0.285 10.424 -3.826 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.066 10.847 -4.576 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -3.340 12.721 -3.709 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -2.122 12.965 -2.462 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -3.070 11.478 -2.481 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -1.700 13.095 -5.442 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -0.266 12.075 -5.598 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -0.346 13.303 -4.329 1.00 0.00 H -ATOM 550 N GLU A 32 -0.297 11.832 -0.915 1.00 0.00 N -ATOM 551 CA GLU A 32 0.352 12.614 0.130 1.00 0.00 C -ATOM 552 C GLU A 32 1.631 11.912 0.635 1.00 0.00 C -ATOM 553 O GLU A 32 2.688 12.546 0.788 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.611 12.937 1.309 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.188 11.714 1.991 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.001 11.997 3.234 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -3.196 12.338 3.130 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -1.482 11.805 4.346 1.00 0.00 O -ATOM 559 H GLU A 32 -1.165 11.408 -0.737 1.00 0.00 H -ATOM 560 HA GLU A 32 0.658 13.542 -0.333 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.084 13.514 2.052 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.431 13.527 0.925 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -1.826 11.221 1.273 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.370 11.056 2.243 1.00 0.00 H -ATOM 565 N VAL A 33 1.543 10.596 0.827 1.00 0.00 N -ATOM 566 CA VAL A 33 2.624 9.815 1.407 1.00 0.00 C -ATOM 567 C VAL A 33 3.875 9.820 0.530 1.00 0.00 C -ATOM 568 O VAL A 33 4.956 9.743 1.026 1.00 0.00 O -ATOM 569 CB VAL A 33 2.210 8.369 1.823 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.223 7.380 0.663 1.00 0.00 C -ATOM 571 CG2 VAL A 33 3.052 7.887 2.988 1.00 0.00 C -ATOM 572 H VAL A 33 0.721 10.124 0.569 1.00 0.00 H -ATOM 573 HA VAL A 33 2.896 10.357 2.302 1.00 0.00 H -ATOM 574 HB VAL A 33 1.187 8.430 2.162 1.00 0.00 H -ATOM 575 HG11 VAL A 33 3.232 7.281 0.288 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.593 7.760 -0.127 1.00 0.00 H -ATOM 577 HG13 VAL A 33 1.860 6.419 0.993 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.786 6.869 3.236 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.876 8.523 3.844 1.00 0.00 H -ATOM 580 HG23 VAL A 33 4.092 7.937 2.710 1.00 0.00 H -ATOM 581 N LEU A 34 3.692 9.942 -0.775 1.00 0.00 N -ATOM 582 CA LEU A 34 4.789 9.926 -1.752 1.00 0.00 C -ATOM 583 C LEU A 34 5.900 10.949 -1.454 1.00 0.00 C -ATOM 584 O LEU A 34 7.033 10.752 -1.887 1.00 0.00 O -ATOM 585 CB LEU A 34 4.260 10.146 -3.175 1.00 0.00 C -ATOM 586 CG LEU A 34 3.361 9.050 -3.747 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.852 9.446 -5.120 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.103 7.724 -3.817 1.00 0.00 C -ATOM 589 H LEU A 34 2.774 10.012 -1.103 1.00 0.00 H -ATOM 590 HA LEU A 34 5.235 8.944 -1.717 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.697 11.067 -3.178 1.00 0.00 H -ATOM 592 HB3 LEU A 34 5.109 10.267 -3.833 1.00 0.00 H -ATOM 593 HG LEU A 34 2.506 8.925 -3.099 1.00 0.00 H -ATOM 594 HD11 LEU A 34 3.694 9.602 -5.777 1.00 0.00 H -ATOM 595 HD12 LEU A 34 2.281 10.359 -5.046 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.227 8.660 -5.518 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.996 7.844 -4.414 1.00 0.00 H -ATOM 598 HD22 LEU A 34 3.467 6.986 -4.280 1.00 0.00 H -ATOM 599 HD23 LEU A 34 4.370 7.396 -2.824 1.00 0.00 H -ATOM 600 N GLU A 35 5.589 12.039 -0.738 1.00 0.00 N -ATOM 601 CA GLU A 35 6.640 13.021 -0.427 1.00 0.00 C -ATOM 602 C GLU A 35 7.498 12.556 0.770 1.00 0.00 C -ATOM 603 O GLU A 35 8.623 13.019 0.968 1.00 0.00 O -ATOM 604 CB GLU A 35 6.068 14.417 -0.151 1.00 0.00 C -ATOM 605 CG GLU A 35 5.201 14.502 1.088 1.00 0.00 C -ATOM 606 CD GLU A 35 4.761 15.904 1.392 1.00 0.00 C -ATOM 607 OE1 GLU A 35 5.493 16.624 2.103 1.00 0.00 O -ATOM 608 OE2 GLU A 35 3.660 16.302 0.953 1.00 0.00 O -ATOM 609 H GLU A 35 4.674 12.162 -0.398 1.00 0.00 H -ATOM 610 HA GLU A 35 7.286 13.068 -1.292 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.889 15.109 -0.033 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.477 14.724 -1.001 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.323 13.891 0.940 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.761 14.123 1.929 1.00 0.00 H -ATOM 615 N SER A 36 6.960 11.646 1.547 1.00 0.00 N -ATOM 616 CA SER A 36 7.620 11.125 2.716 1.00 0.00 C -ATOM 617 C SER A 36 7.084 9.733 3.036 1.00 0.00 C -ATOM 618 O SER A 36 6.321 9.564 3.971 1.00 0.00 O -ATOM 619 CB SER A 36 7.434 12.084 3.920 1.00 0.00 C -ATOM 620 OG SER A 36 7.959 11.534 5.124 1.00 0.00 O -ATOM 621 H SER A 36 6.084 11.260 1.324 1.00 0.00 H -ATOM 622 HA SER A 36 8.674 11.021 2.513 1.00 0.00 H -ATOM 623 HB2 SER A 36 7.944 13.015 3.715 1.00 0.00 H -ATOM 624 HB3 SER A 36 6.381 12.280 4.054 1.00 0.00 H -ATOM 625 HG SER A 36 7.383 10.784 5.318 1.00 0.00 H -ATOM 626 N PRO A 37 7.413 8.715 2.218 1.00 0.00 N -ATOM 627 CA PRO A 37 6.947 7.355 2.467 1.00 0.00 C -ATOM 628 C PRO A 37 7.746 6.682 3.580 1.00 0.00 C -ATOM 629 O PRO A 37 7.334 5.677 4.142 1.00 0.00 O -ATOM 630 CB PRO A 37 7.154 6.668 1.121 1.00 0.00 C -ATOM 631 CG PRO A 37 8.312 7.378 0.522 1.00 0.00 C -ATOM 632 CD PRO A 37 8.176 8.811 0.949 1.00 0.00 C -ATOM 633 HA PRO A 37 5.904 7.336 2.739 1.00 0.00 H -ATOM 634 HB2 PRO A 37 7.356 5.619 1.270 1.00 0.00 H -ATOM 635 HB3 PRO A 37 6.266 6.793 0.518 1.00 0.00 H -ATOM 636 HG2 PRO A 37 9.233 6.960 0.899 1.00 0.00 H -ATOM 637 HG3 PRO A 37 8.278 7.304 -0.555 1.00 0.00 H -ATOM 638 HD2 PRO A 37 9.142 9.269 1.103 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.600 9.360 0.215 1.00 0.00 H -ATOM 640 N ARG A 38 8.872 7.280 3.922 1.00 0.00 N -ATOM 641 CA ARG A 38 9.732 6.779 4.974 1.00 0.00 C -ATOM 642 C ARG A 38 9.281 7.220 6.372 1.00 0.00 C -ATOM 643 O ARG A 38 9.973 7.939 7.071 1.00 0.00 O -ATOM 644 CB ARG A 38 11.236 7.060 4.681 1.00 0.00 C -ATOM 645 CG ARG A 38 11.554 8.395 3.961 1.00 0.00 C -ATOM 646 CD ARG A 38 11.249 9.651 4.776 1.00 0.00 C -ATOM 647 NE ARG A 38 11.471 10.876 3.981 1.00 0.00 N -ATOM 648 CZ ARG A 38 11.219 12.140 4.394 1.00 0.00 C -ATOM 649 NH1 ARG A 38 10.827 12.380 5.646 1.00 0.00 N -ATOM 650 NH2 ARG A 38 11.374 13.151 3.553 1.00 0.00 N -ATOM 651 H ARG A 38 9.105 8.099 3.438 1.00 0.00 H -ATOM 652 HA ARG A 38 9.584 5.709 4.954 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.768 7.066 5.620 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.623 6.253 4.076 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.602 8.411 3.704 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.980 8.424 3.046 1.00 0.00 H -ATOM 657 HD2 ARG A 38 10.217 9.619 5.092 1.00 0.00 H -ATOM 658 HD3 ARG A 38 11.895 9.673 5.642 1.00 0.00 H -ATOM 659 HE ARG A 38 11.809 10.710 3.069 1.00 0.00 H -ATOM 660 HH11 ARG A 38 10.702 11.641 6.311 1.00 0.00 H -ATOM 661 HH12 ARG A 38 10.635 13.303 5.993 1.00 0.00 H -ATOM 662 HH21 ARG A 38 11.683 13.024 2.605 1.00 0.00 H -ATOM 663 HH22 ARG A 38 11.169 14.098 3.813 1.00 0.00 H -ATOM 664 N ILE A 39 8.087 6.817 6.730 1.00 0.00 N -ATOM 665 CA ILE A 39 7.494 7.128 8.021 1.00 0.00 C -ATOM 666 C ILE A 39 7.605 5.905 8.927 1.00 0.00 C -ATOM 667 O ILE A 39 6.927 4.895 8.703 1.00 0.00 O -ATOM 668 CB ILE A 39 6.000 7.538 7.843 1.00 0.00 C -ATOM 669 CG1 ILE A 39 5.918 8.779 6.951 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.329 7.806 9.191 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.513 9.207 6.592 1.00 0.00 C -ATOM 672 H ILE A 39 7.583 6.280 6.078 1.00 0.00 H -ATOM 673 HA ILE A 39 8.040 7.949 8.458 1.00 0.00 H -ATOM 674 HB ILE A 39 5.478 6.729 7.355 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.390 9.607 7.458 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.453 8.582 6.032 1.00 0.00 H -ATOM 677 HG21 ILE A 39 4.288 8.047 9.029 1.00 0.00 H -ATOM 678 HG22 ILE A 39 5.816 8.641 9.670 1.00 0.00 H -ATOM 679 HG23 ILE A 39 5.408 6.929 9.817 1.00 0.00 H -ATOM 680 HD11 ILE A 39 4.569 10.077 5.954 1.00 0.00 H -ATOM 681 HD12 ILE A 39 3.968 9.443 7.491 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.018 8.406 6.062 1.00 0.00 H -ATOM 683 N GLU A 40 8.442 5.995 9.953 1.00 0.00 N -ATOM 684 CA GLU A 40 8.730 4.848 10.830 1.00 0.00 C -ATOM 685 C GLU A 40 7.498 4.377 11.616 1.00 0.00 C -ATOM 686 O GLU A 40 7.447 3.236 12.074 1.00 0.00 O -ATOM 687 CB GLU A 40 9.891 5.138 11.793 1.00 0.00 C -ATOM 688 CG GLU A 40 9.607 6.220 12.816 1.00 0.00 C -ATOM 689 CD GLU A 40 10.740 6.424 13.773 1.00 0.00 C -ATOM 690 OE1 GLU A 40 10.900 5.621 14.719 1.00 0.00 O -ATOM 691 OE2 GLU A 40 11.487 7.404 13.617 1.00 0.00 O -ATOM 692 H GLU A 40 8.874 6.861 10.128 1.00 0.00 H -ATOM 693 HA GLU A 40 9.025 4.039 10.179 1.00 0.00 H -ATOM 694 HB2 GLU A 40 10.128 4.230 12.328 1.00 0.00 H -ATOM 695 HB3 GLU A 40 10.753 5.435 11.214 1.00 0.00 H -ATOM 696 HG2 GLU A 40 9.439 7.150 12.296 1.00 0.00 H -ATOM 697 HG3 GLU A 40 8.720 5.955 13.372 1.00 0.00 H -ATOM 698 N ALA A 41 6.525 5.251 11.779 1.00 0.00 N -ATOM 699 CA ALA A 41 5.295 4.918 12.491 1.00 0.00 C -ATOM 700 C ALA A 41 4.399 4.009 11.663 1.00 0.00 C -ATOM 701 O ALA A 41 3.522 3.330 12.197 1.00 0.00 O -ATOM 702 CB ALA A 41 4.541 6.178 12.865 1.00 0.00 C -ATOM 703 H ALA A 41 6.655 6.167 11.448 1.00 0.00 H -ATOM 704 HA ALA A 41 5.565 4.403 13.401 1.00 0.00 H -ATOM 705 HB1 ALA A 41 4.239 6.697 11.967 1.00 0.00 H -ATOM 706 HB2 ALA A 41 5.183 6.816 13.453 1.00 0.00 H -ATOM 707 HB3 ALA A 41 3.664 5.915 13.438 1.00 0.00 H -ATOM 708 N ASN A 42 4.616 3.987 10.369 1.00 0.00 N -ATOM 709 CA ASN A 42 3.785 3.176 9.490 1.00 0.00 C -ATOM 710 C ASN A 42 4.541 1.963 8.996 1.00 0.00 C -ATOM 711 O ASN A 42 3.961 1.085 8.355 1.00 0.00 O -ATOM 712 CB ASN A 42 3.257 3.997 8.289 1.00 0.00 C -ATOM 713 CG ASN A 42 2.297 5.117 8.682 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.592 5.035 9.684 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.256 6.169 7.894 1.00 0.00 N -ATOM 716 H ASN A 42 5.354 4.511 9.989 1.00 0.00 H -ATOM 717 HA ASN A 42 2.940 2.836 10.070 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.095 4.443 7.776 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.744 3.330 7.611 1.00 0.00 H -ATOM 720 HD21 ASN A 42 2.833 6.192 7.102 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.626 6.885 8.130 1.00 0.00 H -ATOM 722 N LYS A 43 5.833 1.922 9.299 1.00 0.00 N -ATOM 723 CA LYS A 43 6.713 0.883 8.867 1.00 0.00 C -ATOM 724 C LYS A 43 6.391 -0.414 9.590 1.00 0.00 C -ATOM 725 O LYS A 43 6.217 -0.426 10.811 1.00 0.00 O -ATOM 726 CB LYS A 43 8.136 1.288 9.212 1.00 0.00 C -ATOM 727 CG LYS A 43 9.169 0.746 8.270 1.00 0.00 C -ATOM 728 CD LYS A 43 10.588 1.029 8.765 1.00 0.00 C -ATOM 729 CE LYS A 43 11.645 0.620 7.738 1.00 0.00 C -ATOM 730 NZ LYS A 43 11.722 1.560 6.595 1.00 0.00 N -ATOM 731 H LYS A 43 6.255 2.616 9.839 1.00 0.00 H -ATOM 732 HA LYS A 43 6.643 0.758 7.798 1.00 0.00 H -ATOM 733 HB2 LYS A 43 8.201 2.364 9.213 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.348 0.911 10.200 1.00 0.00 H -ATOM 735 HG2 LYS A 43 9.000 -0.313 8.156 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.989 1.265 7.341 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.689 2.087 8.959 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.751 0.478 9.679 1.00 0.00 H -ATOM 739 HE2 LYS A 43 12.610 0.586 8.220 1.00 0.00 H -ATOM 740 HE3 LYS A 43 11.399 -0.364 7.364 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 12.183 2.450 6.869 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 10.790 1.849 6.233 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.255 1.176 5.782 1.00 0.00 H -ATOM 744 N LEU A 44 6.319 -1.474 8.845 1.00 0.00 N -ATOM 745 CA LEU A 44 6.087 -2.783 9.393 1.00 0.00 C -ATOM 746 C LEU A 44 7.413 -3.368 9.822 1.00 0.00 C -ATOM 747 O LEU A 44 8.335 -3.505 9.003 1.00 0.00 O -ATOM 748 CB LEU A 44 5.423 -3.701 8.370 1.00 0.00 C -ATOM 749 CG LEU A 44 4.052 -3.277 7.849 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.530 -4.304 6.880 1.00 0.00 C -ATOM 751 CD2 LEU A 44 3.068 -3.095 8.983 1.00 0.00 C -ATOM 752 H LEU A 44 6.445 -1.366 7.876 1.00 0.00 H -ATOM 753 HA LEU A 44 5.443 -2.678 10.253 1.00 0.00 H -ATOM 754 HB2 LEU A 44 6.084 -3.769 7.520 1.00 0.00 H -ATOM 755 HB3 LEU A 44 5.329 -4.682 8.809 1.00 0.00 H -ATOM 756 HG LEU A 44 4.147 -2.337 7.325 1.00 0.00 H -ATOM 757 HD11 LEU A 44 2.550 -4.000 6.542 1.00 0.00 H -ATOM 758 HD12 LEU A 44 3.461 -5.258 7.382 1.00 0.00 H -ATOM 759 HD13 LEU A 44 4.198 -4.382 6.035 1.00 0.00 H -ATOM 760 HD21 LEU A 44 3.409 -2.316 9.647 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.967 -4.025 9.524 1.00 0.00 H -ATOM 762 HD23 LEU A 44 2.115 -2.818 8.556 1.00 0.00 H -ATOM 763 N ARG A 45 7.508 -3.697 11.077 1.00 0.00 N -ATOM 764 CA ARG A 45 8.730 -4.192 11.670 1.00 0.00 C -ATOM 765 C ARG A 45 9.142 -5.538 11.055 1.00 0.00 C -ATOM 766 O ARG A 45 8.355 -6.487 11.030 1.00 0.00 O -ATOM 767 CB ARG A 45 8.547 -4.323 13.192 1.00 0.00 C -ATOM 768 CG ARG A 45 9.820 -4.651 13.966 1.00 0.00 C -ATOM 769 CD ARG A 45 10.872 -3.566 13.773 1.00 0.00 C -ATOM 770 NE ARG A 45 10.391 -2.241 14.191 1.00 0.00 N -ATOM 771 CZ ARG A 45 10.765 -1.068 13.654 1.00 0.00 C -ATOM 772 NH1 ARG A 45 11.605 -1.034 12.621 1.00 0.00 N -ATOM 773 NH2 ARG A 45 10.284 0.071 14.146 1.00 0.00 N -ATOM 774 H ARG A 45 6.707 -3.604 11.639 1.00 0.00 H -ATOM 775 HA ARG A 45 9.503 -3.463 11.479 1.00 0.00 H -ATOM 776 HB2 ARG A 45 8.159 -3.389 13.571 1.00 0.00 H -ATOM 777 HB3 ARG A 45 7.822 -5.101 13.385 1.00 0.00 H -ATOM 778 HG2 ARG A 45 9.582 -4.725 15.017 1.00 0.00 H -ATOM 779 HG3 ARG A 45 10.213 -5.593 13.614 1.00 0.00 H -ATOM 780 HD2 ARG A 45 11.747 -3.818 14.352 1.00 0.00 H -ATOM 781 HD3 ARG A 45 11.133 -3.529 12.728 1.00 0.00 H -ATOM 782 HE ARG A 45 9.752 -2.256 14.943 1.00 0.00 H -ATOM 783 HH11 ARG A 45 11.980 -1.874 12.216 1.00 0.00 H -ATOM 784 HH12 ARG A 45 11.895 -0.167 12.210 1.00 0.00 H -ATOM 785 HH21 ARG A 45 9.632 0.080 14.912 1.00 0.00 H -ATOM 786 HH22 ARG A 45 10.563 0.963 13.778 1.00 0.00 H -ATOM 787 N GLY A 46 10.351 -5.594 10.519 1.00 0.00 N -ATOM 788 CA GLY A 46 10.877 -6.831 9.959 1.00 0.00 C -ATOM 789 C GLY A 46 10.641 -6.944 8.467 1.00 0.00 C -ATOM 790 O GLY A 46 11.433 -7.550 7.743 1.00 0.00 O -ATOM 791 H GLY A 46 10.900 -4.781 10.490 1.00 0.00 H -ATOM 792 HA2 GLY A 46 11.939 -6.876 10.149 1.00 0.00 H -ATOM 793 HA3 GLY A 46 10.398 -7.664 10.452 1.00 0.00 H -ATOM 794 N MET A 47 9.577 -6.334 8.011 1.00 0.00 N -ATOM 795 CA MET A 47 9.185 -6.375 6.615 1.00 0.00 C -ATOM 796 C MET A 47 10.075 -5.459 5.798 1.00 0.00 C -ATOM 797 O MET A 47 10.422 -4.359 6.264 1.00 0.00 O -ATOM 798 CB MET A 47 7.725 -5.951 6.468 1.00 0.00 C -ATOM 799 CG MET A 47 6.729 -6.910 7.096 1.00 0.00 C -ATOM 800 SD MET A 47 6.594 -8.482 6.210 1.00 0.00 S -ATOM 801 CE MET A 47 5.848 -7.936 4.666 1.00 0.00 C -ATOM 802 H MET A 47 9.045 -5.812 8.649 1.00 0.00 H -ATOM 803 HA MET A 47 9.291 -7.391 6.266 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.611 -4.987 6.941 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.497 -5.852 5.418 1.00 0.00 H -ATOM 806 HG2 MET A 47 7.049 -7.114 8.106 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.757 -6.439 7.119 1.00 0.00 H -ATOM 808 HE1 MET A 47 5.700 -8.788 4.018 1.00 0.00 H -ATOM 809 HE2 MET A 47 6.489 -7.221 4.173 1.00 0.00 H -ATOM 810 HE3 MET A 47 4.891 -7.483 4.876 1.00 0.00 H -ATOM 811 N PRO A 48 10.480 -5.893 4.587 1.00 0.00 N -ATOM 812 CA PRO A 48 11.343 -5.103 3.708 1.00 0.00 C -ATOM 813 C PRO A 48 10.680 -3.803 3.246 1.00 0.00 C -ATOM 814 O PRO A 48 9.918 -3.785 2.271 1.00 0.00 O -ATOM 815 CB PRO A 48 11.638 -6.029 2.522 1.00 0.00 C -ATOM 816 CG PRO A 48 10.555 -7.054 2.550 1.00 0.00 C -ATOM 817 CD PRO A 48 10.137 -7.202 3.986 1.00 0.00 C -ATOM 818 HA PRO A 48 12.263 -4.854 4.215 1.00 0.00 H -ATOM 819 HB2 PRO A 48 11.620 -5.455 1.607 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.611 -6.479 2.647 1.00 0.00 H -ATOM 821 HG2 PRO A 48 9.719 -6.714 1.956 1.00 0.00 H -ATOM 822 HG3 PRO A 48 10.929 -7.993 2.169 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.076 -7.388 4.050 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.690 -7.998 4.462 1.00 0.00 H -ATOM 825 N ASP A 49 10.914 -2.750 4.039 1.00 0.00 N -ATOM 826 CA ASP A 49 10.394 -1.392 3.819 1.00 0.00 C -ATOM 827 C ASP A 49 8.924 -1.371 3.480 1.00 0.00 C -ATOM 828 O ASP A 49 8.492 -0.672 2.570 1.00 0.00 O -ATOM 829 CB ASP A 49 11.215 -0.593 2.794 1.00 0.00 C -ATOM 830 CG ASP A 49 12.553 -0.162 3.330 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.596 0.703 4.238 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.594 -0.687 2.885 1.00 0.00 O -ATOM 833 H ASP A 49 11.473 -2.927 4.824 1.00 0.00 H -ATOM 834 HA ASP A 49 10.486 -0.898 4.776 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.386 -1.209 1.923 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.658 0.285 2.503 1.00 0.00 H -ATOM 837 N CYS A 50 8.154 -2.113 4.227 1.00 0.00 N -ATOM 838 CA CYS A 50 6.740 -2.157 4.005 1.00 0.00 C -ATOM 839 C CYS A 50 6.062 -1.252 5.008 1.00 0.00 C -ATOM 840 O CYS A 50 6.511 -1.141 6.152 1.00 0.00 O -ATOM 841 CB CYS A 50 6.229 -3.587 4.125 1.00 0.00 C -ATOM 842 SG CYS A 50 7.063 -4.760 3.026 1.00 0.00 S -ATOM 843 H CYS A 50 8.544 -2.641 4.953 1.00 0.00 H -ATOM 844 HA CYS A 50 6.539 -1.786 3.013 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.372 -3.926 5.141 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.175 -3.605 3.890 1.00 0.00 H -ATOM 847 HG CYS A 50 8.157 -4.168 2.553 1.00 0.00 H -ATOM 848 N TYR A 51 5.036 -0.580 4.574 1.00 0.00 N -ATOM 849 CA TYR A 51 4.313 0.358 5.393 1.00 0.00 C -ATOM 850 C TYR A 51 2.839 0.112 5.223 1.00 0.00 C -ATOM 851 O TYR A 51 2.406 -0.373 4.165 1.00 0.00 O -ATOM 852 CB TYR A 51 4.626 1.811 4.976 1.00 0.00 C -ATOM 853 CG TYR A 51 6.086 2.211 5.063 1.00 0.00 C -ATOM 854 CD1 TYR A 51 6.986 1.841 4.083 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.558 2.959 6.118 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.311 2.195 4.156 1.00 0.00 C -ATOM 857 CE2 TYR A 51 7.886 3.319 6.195 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.753 2.931 5.209 1.00 0.00 C -ATOM 859 OH TYR A 51 10.078 3.274 5.289 1.00 0.00 O -ATOM 860 H TYR A 51 4.736 -0.717 3.645 1.00 0.00 H -ATOM 861 HA TYR A 51 4.594 0.219 6.425 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.314 1.950 3.952 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.057 2.482 5.603 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.634 1.254 3.248 1.00 0.00 H -ATOM 865 HD2 TYR A 51 5.874 3.264 6.896 1.00 0.00 H -ATOM 866 HE1 TYR A 51 8.994 1.892 3.376 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.238 3.903 7.033 1.00 0.00 H -ATOM 868 HH TYR A 51 10.369 3.618 4.435 1.00 0.00 H -ATOM 869 N LYS A 52 2.080 0.419 6.235 1.00 0.00 N -ATOM 870 CA LYS A 52 0.653 0.254 6.183 1.00 0.00 C -ATOM 871 C LYS A 52 -0.049 1.586 6.405 1.00 0.00 C -ATOM 872 O LYS A 52 0.389 2.405 7.221 1.00 0.00 O -ATOM 873 CB LYS A 52 0.168 -0.768 7.237 1.00 0.00 C -ATOM 874 CG LYS A 52 0.528 -0.406 8.680 1.00 0.00 C -ATOM 875 CD LYS A 52 -0.148 -1.329 9.680 1.00 0.00 C -ATOM 876 CE LYS A 52 0.252 -0.986 11.108 1.00 0.00 C -ATOM 877 NZ LYS A 52 -0.517 -1.761 12.107 1.00 0.00 N -ATOM 878 H LYS A 52 2.499 0.783 7.048 1.00 0.00 H -ATOM 879 HA LYS A 52 0.397 -0.117 5.202 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.907 -0.847 7.170 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.601 -1.731 7.009 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.599 -0.480 8.805 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.217 0.609 8.870 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -1.219 -1.225 9.583 1.00 0.00 H -ATOM 885 HD3 LYS A 52 0.132 -2.350 9.470 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.300 -1.217 11.227 1.00 0.00 H -ATOM 887 HE3 LYS A 52 0.103 0.070 11.273 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 -0.351 -2.783 12.028 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 -1.539 -1.588 12.042 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 -0.246 -1.483 13.073 1.00 0.00 H -ATOM 891 N ILE A 53 -1.100 1.807 5.670 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.949 2.965 5.856 1.00 0.00 C -ATOM 893 C ILE A 53 -3.341 2.472 6.182 1.00 0.00 C -ATOM 894 O ILE A 53 -3.823 1.523 5.559 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.989 3.901 4.600 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.589 4.480 4.318 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -3.021 5.029 4.779 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.534 5.448 3.150 1.00 0.00 C -ATOM 899 H ILE A 53 -1.325 1.161 4.961 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.570 3.515 6.705 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.298 3.305 3.753 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.246 5.009 5.194 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.091 3.666 4.111 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -3.055 5.638 3.888 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.747 5.662 5.611 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -4.001 4.614 4.960 1.00 0.00 H -ATOM 907 HD11 ILE A 53 0.489 5.754 2.983 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -1.124 6.318 3.393 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -0.927 4.978 2.261 1.00 0.00 H -ATOM 910 N LYS A 54 -3.953 3.072 7.169 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.277 2.694 7.598 1.00 0.00 C -ATOM 912 C LYS A 54 -6.325 3.734 7.198 1.00 0.00 C -ATOM 913 O LYS A 54 -5.997 4.911 6.968 1.00 0.00 O -ATOM 914 CB LYS A 54 -5.293 2.337 9.099 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.507 3.270 10.000 1.00 0.00 C -ATOM 916 CD LYS A 54 -5.120 4.639 10.114 1.00 0.00 C -ATOM 917 CE LYS A 54 -4.178 5.549 10.833 1.00 0.00 C -ATOM 918 NZ LYS A 54 -4.729 6.891 11.037 1.00 0.00 N -ATOM 919 H LYS A 54 -3.515 3.826 7.615 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.507 1.802 7.037 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -6.316 2.366 9.437 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.908 1.337 9.230 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.454 2.837 10.986 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -3.506 3.361 9.603 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -5.317 5.022 9.124 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -6.040 4.563 10.673 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -3.929 5.106 11.784 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -3.300 5.614 10.208 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -5.629 6.853 11.555 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -4.854 7.397 10.137 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -4.059 7.446 11.611 1.00 0.00 H -ATOM 932 N LEU A 55 -7.560 3.314 7.126 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.612 4.154 6.612 1.00 0.00 C -ATOM 934 C LEU A 55 -9.334 4.901 7.737 1.00 0.00 C -ATOM 935 O LEU A 55 -9.194 4.568 8.924 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.628 3.305 5.844 1.00 0.00 C -ATOM 937 CG LEU A 55 -10.475 4.040 4.820 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -9.668 4.307 3.584 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -11.743 3.293 4.487 1.00 0.00 C -ATOM 940 H LEU A 55 -7.766 2.396 7.413 1.00 0.00 H -ATOM 941 HA LEU A 55 -8.165 4.862 5.932 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -9.087 2.520 5.337 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -10.290 2.846 6.564 1.00 0.00 H -ATOM 944 HG LEU A 55 -10.745 5.002 5.229 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -9.263 3.378 3.211 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -8.868 4.999 3.798 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -10.325 4.721 2.835 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.503 2.301 4.141 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -12.250 3.839 3.704 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -12.378 3.240 5.358 1.00 0.00 H -ATOM 951 N ARG A 56 -10.109 5.897 7.361 1.00 0.00 N -ATOM 952 CA ARG A 56 -10.892 6.667 8.304 1.00 0.00 C -ATOM 953 C ARG A 56 -12.281 6.058 8.499 1.00 0.00 C -ATOM 954 O ARG A 56 -12.665 5.742 9.619 1.00 0.00 O -ATOM 955 CB ARG A 56 -11.008 8.124 7.847 1.00 0.00 C -ATOM 956 CG ARG A 56 -9.700 8.906 7.879 1.00 0.00 C -ATOM 957 CD ARG A 56 -9.160 9.006 9.296 1.00 0.00 C -ATOM 958 NE ARG A 56 -7.915 9.780 9.379 1.00 0.00 N -ATOM 959 CZ ARG A 56 -7.060 9.732 10.420 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -7.236 8.837 11.397 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -6.011 10.541 10.460 1.00 0.00 N -ATOM 962 H ARG A 56 -10.150 6.138 6.412 1.00 0.00 H -ATOM 963 HA ARG A 56 -10.382 6.642 9.253 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -11.380 8.133 6.832 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -11.724 8.625 8.480 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -8.973 8.402 7.260 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -9.877 9.901 7.498 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -9.902 9.482 9.920 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -8.971 8.009 9.665 1.00 0.00 H -ATOM 970 HE ARG A 56 -7.757 10.383 8.616 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -7.987 8.170 11.386 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -6.630 8.794 12.198 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -5.813 11.208 9.737 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -5.360 10.503 11.224 1.00 0.00 H -ATOM 975 N SER A 57 -13.011 5.875 7.401 1.00 0.00 N -ATOM 976 CA SER A 57 -14.383 5.362 7.443 1.00 0.00 C -ATOM 977 C SER A 57 -14.493 3.971 8.123 1.00 0.00 C -ATOM 978 O SER A 57 -15.175 3.815 9.138 1.00 0.00 O -ATOM 979 CB SER A 57 -14.936 5.305 6.027 1.00 0.00 C -ATOM 980 OG SER A 57 -14.781 6.559 5.367 1.00 0.00 O -ATOM 981 H SER A 57 -12.639 6.123 6.527 1.00 0.00 H -ATOM 982 HA SER A 57 -14.977 6.065 8.008 1.00 0.00 H -ATOM 983 HB2 SER A 57 -14.409 4.547 5.465 1.00 0.00 H -ATOM 984 HB3 SER A 57 -15.985 5.060 6.068 1.00 0.00 H -ATOM 985 HG SER A 57 -14.695 7.250 6.040 1.00 0.00 H -ATOM 986 N SER A 58 -13.814 2.985 7.580 1.00 0.00 N -ATOM 987 CA SER A 58 -13.866 1.644 8.113 1.00 0.00 C -ATOM 988 C SER A 58 -12.471 1.057 8.225 1.00 0.00 C -ATOM 989 O SER A 58 -11.487 1.749 7.929 1.00 0.00 O -ATOM 990 CB SER A 58 -14.797 0.771 7.270 1.00 0.00 C -ATOM 991 OG SER A 58 -16.134 1.270 7.335 1.00 0.00 O -ATOM 992 H SER A 58 -13.237 3.153 6.809 1.00 0.00 H -ATOM 993 HA SER A 58 -14.269 1.721 9.112 1.00 0.00 H -ATOM 994 HB2 SER A 58 -14.468 0.788 6.242 1.00 0.00 H -ATOM 995 HB3 SER A 58 -14.784 -0.242 7.640 1.00 0.00 H -ATOM 996 HG SER A 58 -16.252 1.904 6.616 1.00 0.00 H -ATOM 997 N GLY A 59 -12.378 -0.186 8.650 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.105 -0.823 8.900 1.00 0.00 C -ATOM 999 C GLY A 59 -10.428 -1.372 7.657 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.209 -2.582 7.542 1.00 0.00 O -ATOM 1001 H GLY A 59 -13.187 -0.721 8.811 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.448 -0.104 9.364 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.264 -1.633 9.595 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.095 -0.500 6.745 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.373 -0.872 5.544 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.940 -0.462 5.694 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.656 0.592 6.259 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.969 -0.228 4.291 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.285 -0.819 3.842 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.471 -0.510 4.485 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.332 -1.692 2.762 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.667 -1.054 4.070 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.523 -2.239 2.338 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.690 -1.917 2.997 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.886 -2.471 2.584 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.307 0.445 6.905 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.417 -1.946 5.452 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.131 0.821 4.484 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.263 -0.326 3.479 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.449 0.167 5.326 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.415 -1.943 2.250 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.577 -0.801 4.589 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.538 -2.915 1.497 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.535 -1.759 2.521 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.042 -1.295 5.250 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.635 -1.011 5.339 1.00 0.00 C -ATOM 1027 C ARG A 61 -4.960 -1.372 4.044 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.328 -2.351 3.381 1.00 0.00 O -ATOM 1029 CB ARG A 61 -4.921 -1.714 6.538 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.363 -1.249 7.936 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.669 -1.894 8.376 1.00 0.00 C -ATOM 1032 NE ARG A 61 -7.240 -1.268 9.577 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -7.726 -1.931 10.638 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -7.417 -3.204 10.831 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -8.443 -1.296 11.553 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.315 -2.119 4.781 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.547 0.058 5.462 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.103 -2.776 6.469 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -3.859 -1.545 6.444 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.593 -1.494 8.652 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -5.494 -0.177 7.909 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -7.382 -1.804 7.570 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.492 -2.940 8.575 1.00 0.00 H -ATOM 1044 HE ARG A 61 -7.339 -0.291 9.508 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -6.810 -3.698 10.210 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -7.796 -3.709 11.612 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -8.650 -0.315 11.510 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -8.832 -1.796 12.333 1.00 0.00 H -ATOM 1049 N LEU A 62 -4.013 -0.582 3.676 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.271 -0.782 2.472 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.809 -0.957 2.856 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.267 -0.157 3.630 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.521 0.428 1.529 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.909 0.404 0.114 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.598 1.434 -0.763 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.437 0.726 0.159 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.793 0.186 4.249 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.625 -1.687 2.001 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.589 0.533 1.415 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.157 1.310 2.035 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.039 -0.575 -0.326 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.480 2.415 -0.326 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -4.648 1.196 -0.846 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.149 1.421 -1.745 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.038 0.743 -0.845 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -0.924 -0.025 0.742 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.307 1.694 0.619 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.194 -2.011 2.360 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.185 -2.320 2.680 1.00 0.00 C -ATOM 1070 C VAL A 63 1.027 -2.240 1.407 1.00 0.00 C -ATOM 1071 O VAL A 63 0.708 -2.878 0.379 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.329 -3.740 3.315 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.762 -3.997 3.769 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.635 -3.921 4.485 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.667 -2.599 1.729 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.539 -1.581 3.381 1.00 0.00 H -ATOM 1077 HB VAL A 63 0.085 -4.470 2.557 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 1.842 -4.993 4.176 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.022 -3.289 4.544 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 2.439 -3.887 2.935 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.422 -3.184 5.244 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.519 -4.910 4.902 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -1.651 -3.795 4.137 1.00 0.00 H -ATOM 1084 N TYR A 64 2.074 -1.469 1.464 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.939 -1.264 0.330 1.00 0.00 C -ATOM 1086 C TYR A 64 4.381 -1.346 0.743 1.00 0.00 C -ATOM 1087 O TYR A 64 4.694 -1.207 1.919 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.660 0.090 -0.359 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.764 1.324 0.528 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 3.979 1.759 1.049 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.645 2.067 0.809 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.056 2.888 1.823 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.712 3.193 1.580 1.00 0.00 C -ATOM 1094 CZ TYR A 64 2.920 3.601 2.087 1.00 0.00 C -ATOM 1095 OH TYR A 64 2.987 4.721 2.868 1.00 0.00 O -ATOM 1096 H TYR A 64 2.295 -1.028 2.315 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.740 -2.054 -0.379 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.358 0.222 -1.171 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.659 0.065 -0.764 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.872 1.187 0.841 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.697 1.746 0.409 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.009 3.210 2.213 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.808 3.750 1.774 1.00 0.00 H -ATOM 1104 HH TYR A 64 2.263 4.696 3.499 1.00 0.00 H -ATOM 1105 N GLN A 65 5.236 -1.595 -0.198 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.649 -1.572 0.049 1.00 0.00 C -ATOM 1107 C GLN A 65 7.232 -0.358 -0.635 1.00 0.00 C -ATOM 1108 O GLN A 65 6.801 0.016 -1.730 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.345 -2.833 -0.464 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.191 -3.055 -1.962 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.006 -4.205 -2.500 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.604 -4.852 -3.456 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.170 -4.439 -1.941 1.00 0.00 N -ATOM 1114 H GLN A 65 4.912 -1.768 -1.110 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.809 -1.477 1.111 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.396 -2.754 -0.235 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.942 -3.690 0.055 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.151 -3.253 -2.175 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.486 -2.150 -2.473 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.471 -3.860 -1.205 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.712 -5.177 -2.281 1.00 0.00 H -ATOM 1122 N VAL A 66 8.146 0.273 -0.002 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.808 1.381 -0.598 1.00 0.00 C -ATOM 1124 C VAL A 66 10.130 0.907 -1.111 1.00 0.00 C -ATOM 1125 O VAL A 66 11.005 0.509 -0.342 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.011 2.548 0.396 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.770 3.703 -0.257 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.670 3.030 0.904 1.00 0.00 C -ATOM 1129 H VAL A 66 8.397 -0.021 0.903 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.209 1.723 -1.429 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.586 2.190 1.237 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 9.897 4.502 0.459 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 9.211 4.066 -1.107 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 10.737 3.357 -0.586 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.829 3.768 1.675 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.120 2.194 1.312 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 7.106 3.468 0.094 1.00 0.00 H -ATOM 1138 N ILE A 67 10.264 0.888 -2.389 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.485 0.502 -2.979 1.00 0.00 C -ATOM 1140 C ILE A 67 12.218 1.774 -3.289 1.00 0.00 C -ATOM 1141 O ILE A 67 11.987 2.407 -4.332 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.256 -0.293 -4.287 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.260 -1.435 -4.042 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.583 -0.849 -4.798 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.858 -2.179 -5.292 1.00 0.00 C -ATOM 1146 H ILE A 67 9.524 1.163 -2.977 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.048 -0.097 -2.279 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.850 0.375 -5.031 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.703 -2.152 -3.367 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.366 -1.029 -3.592 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 12.415 -1.393 -5.716 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 13.002 -1.515 -4.058 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.270 -0.036 -4.981 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 9.164 -2.968 -5.043 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 10.742 -2.599 -5.747 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 9.393 -1.490 -5.983 1.00 0.00 H -ATOM 1157 N ASP A 68 13.076 2.175 -2.384 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.815 3.424 -2.539 1.00 0.00 C -ATOM 1159 C ASP A 68 14.801 3.308 -3.678 1.00 0.00 C -ATOM 1160 O ASP A 68 15.059 4.271 -4.392 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.518 3.810 -1.241 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.254 5.125 -1.350 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 14.616 6.197 -1.239 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 16.471 5.119 -1.545 1.00 0.00 O -ATOM 1165 H ASP A 68 13.200 1.635 -1.570 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.098 4.190 -2.794 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 13.788 3.892 -0.449 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.232 3.040 -0.988 1.00 0.00 H -ATOM 1169 N GLU A 69 15.267 2.084 -3.886 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.213 1.742 -4.944 1.00 0.00 C -ATOM 1171 C GLU A 69 15.658 2.133 -6.316 1.00 0.00 C -ATOM 1172 O GLU A 69 16.391 2.556 -7.196 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.448 0.237 -4.961 1.00 0.00 C -ATOM 1174 CG GLU A 69 16.787 -0.379 -3.622 1.00 0.00 C -ATOM 1175 CD GLU A 69 16.987 -1.864 -3.740 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 16.053 -2.571 -4.178 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 18.092 -2.355 -3.455 1.00 0.00 O -ATOM 1178 H GLU A 69 14.970 1.388 -3.266 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.153 2.240 -4.761 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.557 -0.247 -5.330 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.258 0.025 -5.644 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 17.698 0.064 -3.251 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 15.981 -0.192 -2.929 1.00 0.00 H -ATOM 1184 N LYS A 70 14.368 1.932 -6.503 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.723 2.225 -7.774 1.00 0.00 C -ATOM 1186 C LYS A 70 12.825 3.449 -7.671 1.00 0.00 C -ATOM 1187 O LYS A 70 12.157 3.838 -8.639 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.988 0.986 -8.281 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.950 -0.164 -8.539 1.00 0.00 C -ATOM 1190 CD LYS A 70 13.258 -1.450 -8.919 1.00 0.00 C -ATOM 1191 CE LYS A 70 14.287 -2.553 -9.100 1.00 0.00 C -ATOM 1192 NZ LYS A 70 13.670 -3.866 -9.330 1.00 0.00 N -ATOM 1193 H LYS A 70 13.832 1.589 -5.758 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.515 2.464 -8.468 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.268 0.677 -7.537 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.478 1.219 -9.204 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.611 0.114 -9.345 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.534 -0.325 -7.645 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 12.568 -1.728 -8.135 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.724 -1.309 -9.847 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 14.902 -2.309 -9.954 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 14.911 -2.600 -8.221 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 13.184 -3.911 -10.248 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 12.994 -4.101 -8.578 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 14.396 -4.609 -9.316 1.00 0.00 H -ATOM 1206 N VAL A 71 12.834 4.054 -6.473 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.103 5.292 -6.150 1.00 0.00 C -ATOM 1208 C VAL A 71 10.574 5.067 -6.326 1.00 0.00 C -ATOM 1209 O VAL A 71 9.810 5.975 -6.650 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.603 6.501 -7.034 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 12.114 7.833 -6.485 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.127 6.517 -7.161 1.00 0.00 C -ATOM 1213 H VAL A 71 13.362 3.646 -5.754 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.291 5.509 -5.108 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.180 6.382 -8.021 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 12.501 8.629 -7.103 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.467 7.959 -5.472 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 11.035 7.856 -6.502 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.577 6.595 -6.184 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.429 7.365 -7.761 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.456 5.607 -7.640 1.00 0.00 H -ATOM 1222 N VAL A 72 10.126 3.876 -6.032 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.743 3.549 -6.241 1.00 0.00 C -ATOM 1224 C VAL A 72 8.146 2.853 -5.030 1.00 0.00 C -ATOM 1225 O VAL A 72 8.787 2.039 -4.373 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.528 2.704 -7.545 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.250 1.379 -7.491 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.050 2.500 -7.872 1.00 0.00 C -ATOM 1229 H VAL A 72 10.723 3.215 -5.619 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.222 4.488 -6.365 1.00 0.00 H -ATOM 1231 HB VAL A 72 8.972 3.267 -8.351 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 9.048 0.843 -8.406 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 8.893 0.813 -6.644 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 10.311 1.556 -7.399 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.960 1.916 -8.776 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.574 3.459 -8.015 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.573 1.977 -7.055 1.00 0.00 H -ATOM 1238 N VAL A 73 6.959 3.235 -4.730 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.170 2.674 -3.700 1.00 0.00 C -ATOM 1240 C VAL A 73 5.232 1.683 -4.372 1.00 0.00 C -ATOM 1241 O VAL A 73 4.400 2.061 -5.214 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.361 3.787 -2.989 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.503 3.220 -1.895 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.288 4.862 -2.437 1.00 0.00 C -ATOM 1245 H VAL A 73 6.545 3.954 -5.254 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.805 2.167 -2.990 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.716 4.249 -3.721 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 3.954 4.017 -1.413 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 5.128 2.721 -1.169 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.806 2.508 -2.314 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 6.991 4.414 -1.751 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 5.705 5.608 -1.916 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 6.826 5.324 -3.251 1.00 0.00 H -ATOM 1254 N PHE A 74 5.388 0.442 -4.045 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.666 -0.606 -4.699 1.00 0.00 C -ATOM 1256 C PHE A 74 3.655 -1.212 -3.732 1.00 0.00 C -ATOM 1257 O PHE A 74 4.033 -1.795 -2.711 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.669 -1.665 -5.178 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.145 -2.616 -6.210 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.432 -3.745 -5.855 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 5.389 -2.381 -7.548 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 3.972 -4.615 -6.819 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.931 -3.246 -8.512 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.220 -4.365 -8.148 1.00 0.00 C -ATOM 1265 H PHE A 74 6.003 0.216 -3.312 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.153 -0.199 -5.558 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.528 -1.168 -5.600 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 5.990 -2.243 -4.324 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 4.233 -3.940 -4.811 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.947 -1.502 -7.836 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 3.417 -5.496 -6.533 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 5.132 -3.041 -9.553 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.858 -5.047 -8.903 1.00 0.00 H -ATOM 1274 N VAL A 75 2.388 -1.049 -4.038 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.311 -1.577 -3.217 1.00 0.00 C -ATOM 1276 C VAL A 75 1.240 -3.082 -3.385 1.00 0.00 C -ATOM 1277 O VAL A 75 1.111 -3.570 -4.499 1.00 0.00 O -ATOM 1278 CB VAL A 75 -0.052 -0.937 -3.588 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.186 -1.499 -2.733 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.022 0.580 -3.462 1.00 0.00 C -ATOM 1281 H VAL A 75 2.174 -0.564 -4.868 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.539 -1.356 -2.185 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.264 -1.181 -4.617 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -2.114 -1.014 -2.997 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -0.969 -1.335 -1.688 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -1.273 -2.561 -2.911 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.750 0.959 -4.163 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 0.330 0.846 -2.463 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 -0.944 1.012 -3.678 1.00 0.00 H -ATOM 1290 N ILE A 76 1.329 -3.801 -2.289 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.359 -5.251 -2.343 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.022 -5.823 -2.060 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.473 -6.762 -2.726 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.340 -5.826 -1.289 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.724 -5.182 -1.423 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.453 -7.344 -1.440 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.688 -5.602 -0.338 1.00 0.00 C -ATOM 1298 H ILE A 76 1.360 -3.355 -1.415 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.691 -5.557 -3.324 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.947 -5.612 -0.306 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.156 -5.463 -2.373 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.619 -4.108 -1.381 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 2.804 -7.581 -2.433 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 1.486 -7.798 -1.278 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 3.157 -7.720 -0.712 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 4.314 -5.274 0.620 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 5.661 -5.171 -0.523 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 4.764 -6.680 -0.337 1.00 0.00 H -ATOM 1309 N SER A 77 -0.693 -5.263 -1.081 1.00 0.00 N -ATOM 1310 CA SER A 77 -1.983 -5.761 -0.668 1.00 0.00 C -ATOM 1311 C SER A 77 -2.860 -4.611 -0.193 1.00 0.00 C -ATOM 1312 O SER A 77 -2.360 -3.626 0.372 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.794 -6.793 0.451 1.00 0.00 C -ATOM 1314 OG SER A 77 -0.952 -7.850 0.024 1.00 0.00 O -ATOM 1315 H SER A 77 -0.332 -4.487 -0.599 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.449 -6.244 -1.512 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.332 -6.312 1.301 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.752 -7.200 0.738 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.883 -7.783 -0.935 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.140 -4.719 -0.442 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.089 -3.708 -0.057 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.439 -4.371 0.240 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.806 -5.350 -0.413 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.225 -2.604 -1.166 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.696 -3.175 -2.497 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.132 -1.476 -0.718 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.495 -5.516 -0.891 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.726 -3.251 0.853 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.238 -2.196 -1.330 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -6.663 -3.637 -2.365 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -4.989 -3.917 -2.839 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -5.771 -2.382 -3.226 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.728 -1.024 0.177 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -7.117 -1.866 -0.510 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.196 -0.732 -1.499 1.00 0.00 H -ATOM 1336 N GLY A 79 -7.120 -3.890 1.251 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.417 -4.410 1.610 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.640 -4.218 3.078 1.00 0.00 C -ATOM 1339 O GLY A 79 -8.077 -3.296 3.664 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.737 -3.179 1.812 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -9.179 -3.885 1.055 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.458 -5.464 1.382 1.00 0.00 H -ATOM 1343 N LYS A 80 -9.439 -5.044 3.691 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.600 -4.948 5.118 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.596 -5.852 5.749 1.00 0.00 C -ATOM 1346 O LYS A 80 -8.229 -6.883 5.168 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.997 -5.348 5.605 1.00 0.00 C -ATOM 1348 CG LYS A 80 -12.151 -4.588 4.977 1.00 0.00 C -ATOM 1349 CD LYS A 80 -13.469 -4.844 5.720 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.785 -6.332 5.859 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -13.942 -7.012 4.561 1.00 0.00 N -ATOM 1352 H LYS A 80 -9.897 -5.752 3.191 1.00 0.00 H -ATOM 1353 HA LYS A 80 -9.386 -3.933 5.415 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -11.141 -6.397 5.403 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -11.036 -5.199 6.675 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.931 -3.531 5.007 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -12.259 -4.905 3.951 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -13.400 -4.417 6.709 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -14.271 -4.362 5.178 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -12.988 -6.814 6.406 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -14.701 -6.435 6.421 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -13.145 -6.803 3.928 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -14.829 -6.752 4.086 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -13.933 -8.039 4.744 1.00 0.00 H -ATOM 1365 N ALA A 81 -8.134 -5.504 6.911 1.00 0.00 N -ATOM 1366 CA ALA A 81 -7.208 -6.353 7.589 1.00 0.00 C -ATOM 1367 C ALA A 81 -7.969 -7.392 8.378 1.00 0.00 C -ATOM 1368 O ALA A 81 -8.087 -7.309 9.604 1.00 0.00 O -ATOM 1369 CB ALA A 81 -6.242 -5.574 8.462 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.453 -4.678 7.330 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.648 -6.872 6.824 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -6.799 -5.094 9.252 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -5.734 -4.831 7.866 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -5.517 -6.250 8.893 1.00 0.00 H -ATOM 1375 N GLU A 82 -8.547 -8.305 7.653 1.00 0.00 N -ATOM 1376 CA GLU A 82 -9.299 -9.391 8.198 1.00 0.00 C -ATOM 1377 C GLU A 82 -8.448 -10.641 8.157 1.00 0.00 C -ATOM 1378 O GLU A 82 -7.842 -10.953 7.118 1.00 0.00 O -ATOM 1379 CB GLU A 82 -10.638 -9.559 7.431 1.00 0.00 C -ATOM 1380 CG GLU A 82 -10.487 -9.620 5.912 1.00 0.00 C -ATOM 1381 CD GLU A 82 -11.802 -9.683 5.153 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -12.875 -9.408 5.719 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -11.778 -9.943 3.938 1.00 0.00 O -ATOM 1384 H GLU A 82 -8.462 -8.244 6.676 1.00 0.00 H -ATOM 1385 HA GLU A 82 -9.509 -9.147 9.227 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -11.110 -10.475 7.756 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -11.287 -8.731 7.674 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -9.957 -8.737 5.584 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -9.901 -10.492 5.662 1.00 0.00 H -ATOM 1390 N ALA A 83 -8.296 -11.276 9.322 1.00 0.00 N -ATOM 1391 CA ALA A 83 -7.527 -12.529 9.485 1.00 0.00 C -ATOM 1392 C ALA A 83 -6.051 -12.367 9.083 1.00 0.00 C -ATOM 1393 O ALA A 83 -5.345 -13.349 8.874 1.00 0.00 O -ATOM 1394 CB ALA A 83 -8.183 -13.674 8.712 1.00 0.00 C -ATOM 1395 H ALA A 83 -8.729 -10.890 10.115 1.00 0.00 H -ATOM 1396 HA ALA A 83 -7.551 -12.775 10.537 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -7.662 -14.596 8.919 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -8.139 -13.465 7.654 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -9.215 -13.765 9.016 1.00 0.00 H -ATOM 1400 N SER A 84 -5.595 -11.111 9.021 1.00 0.00 N -ATOM 1401 CA SER A 84 -4.228 -10.752 8.653 1.00 0.00 C -ATOM 1402 C SER A 84 -3.876 -11.222 7.224 1.00 0.00 C -ATOM 1403 O SER A 84 -2.701 -11.486 6.912 1.00 0.00 O -ATOM 1404 CB SER A 84 -3.253 -11.304 9.698 1.00 0.00 C -ATOM 1405 OG SER A 84 -3.655 -10.884 11.005 1.00 0.00 O -ATOM 1406 H SER A 84 -6.219 -10.393 9.257 1.00 0.00 H -ATOM 1407 HA SER A 84 -4.174 -9.673 8.666 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -3.251 -12.383 9.653 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -2.257 -10.931 9.502 1.00 0.00 H -ATOM 1410 HG SER A 84 -4.252 -10.131 10.897 1.00 0.00 H -ATOM 1411 N GLU A 85 -4.892 -11.224 6.345 1.00 0.00 N -ATOM 1412 CA GLU A 85 -4.748 -11.642 4.944 1.00 0.00 C -ATOM 1413 C GLU A 85 -3.683 -10.798 4.243 1.00 0.00 C -ATOM 1414 O GLU A 85 -2.704 -11.324 3.704 1.00 0.00 O -ATOM 1415 CB GLU A 85 -6.088 -11.413 4.231 1.00 0.00 C -ATOM 1416 CG GLU A 85 -6.153 -11.911 2.793 1.00 0.00 C -ATOM 1417 CD GLU A 85 -6.194 -13.410 2.707 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -5.132 -14.058 2.671 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -7.302 -13.980 2.691 1.00 0.00 O -ATOM 1420 H GLU A 85 -5.792 -10.982 6.658 1.00 0.00 H -ATOM 1421 HA GLU A 85 -4.497 -12.689 4.887 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -6.861 -11.915 4.794 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -6.297 -10.353 4.234 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -7.042 -11.516 2.325 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -5.281 -11.556 2.265 1.00 0.00 H -ATOM 1426 N VAL A 86 -3.836 -9.487 4.360 1.00 0.00 N -ATOM 1427 CA VAL A 86 -2.968 -8.516 3.693 1.00 0.00 C -ATOM 1428 C VAL A 86 -1.526 -8.530 4.216 1.00 0.00 C -ATOM 1429 O VAL A 86 -0.638 -8.011 3.576 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.550 -7.072 3.760 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -4.879 -6.993 3.022 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -3.719 -6.609 5.206 1.00 0.00 C -ATOM 1433 H VAL A 86 -4.586 -9.159 4.894 1.00 0.00 H -ATOM 1434 HA VAL A 86 -2.936 -8.807 2.653 1.00 0.00 H -ATOM 1435 HB VAL A 86 -2.853 -6.412 3.265 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -4.736 -7.263 1.986 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -5.266 -5.987 3.078 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -5.582 -7.674 3.478 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -2.759 -6.622 5.701 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -4.396 -7.274 5.721 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -4.118 -5.605 5.222 1.00 0.00 H -ATOM 1442 N TYR A 87 -1.305 -9.107 5.377 1.00 0.00 N -ATOM 1443 CA TYR A 87 0.043 -9.173 5.912 1.00 0.00 C -ATOM 1444 C TYR A 87 0.712 -10.467 5.490 1.00 0.00 C -ATOM 1445 O TYR A 87 1.870 -10.476 5.068 1.00 0.00 O -ATOM 1446 CB TYR A 87 0.055 -9.034 7.439 1.00 0.00 C -ATOM 1447 CG TYR A 87 -0.485 -7.711 7.942 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 0.312 -6.575 7.945 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 -1.787 -7.599 8.413 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 -0.170 -5.365 8.400 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 -2.277 -6.392 8.872 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -1.465 -5.278 8.863 1.00 0.00 C -ATOM 1453 OH TYR A 87 -1.952 -4.065 9.311 1.00 0.00 O -ATOM 1454 H TYR A 87 -2.052 -9.513 5.861 1.00 0.00 H -ATOM 1455 HA TYR A 87 0.597 -8.352 5.480 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 -0.533 -9.828 7.871 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 1.073 -9.128 7.786 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 1.327 -6.644 7.581 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 -2.420 -8.473 8.420 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 0.466 -4.493 8.394 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 -3.292 -6.324 9.236 1.00 0.00 H -ATOM 1462 HH TYR A 87 -1.673 -3.396 8.678 1.00 0.00 H -ATOM 1463 N SER A 88 -0.047 -11.546 5.551 1.00 0.00 N -ATOM 1464 CA SER A 88 0.466 -12.863 5.267 1.00 0.00 C -ATOM 1465 C SER A 88 0.835 -13.034 3.785 1.00 0.00 C -ATOM 1466 O SER A 88 1.920 -13.538 3.466 1.00 0.00 O -ATOM 1467 CB SER A 88 -0.547 -13.918 5.718 1.00 0.00 C -ATOM 1468 OG SER A 88 -0.886 -13.737 7.099 1.00 0.00 O -ATOM 1469 H SER A 88 -0.992 -11.457 5.793 1.00 0.00 H -ATOM 1470 HA SER A 88 1.368 -12.995 5.845 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -1.444 -13.809 5.129 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -0.130 -14.905 5.585 1.00 0.00 H -ATOM 1473 HG SER A 88 -1.655 -13.150 7.119 1.00 0.00 H -ATOM 1474 N GLU A 89 -0.032 -12.588 2.878 1.00 0.00 N -ATOM 1475 CA GLU A 89 0.268 -12.750 1.464 1.00 0.00 C -ATOM 1476 C GLU A 89 1.371 -11.807 1.015 1.00 0.00 C -ATOM 1477 O GLU A 89 2.136 -12.125 0.098 1.00 0.00 O -ATOM 1478 CB GLU A 89 -0.959 -12.621 0.569 1.00 0.00 C -ATOM 1479 CG GLU A 89 -1.651 -11.274 0.569 1.00 0.00 C -ATOM 1480 CD GLU A 89 -2.683 -11.205 -0.522 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -2.343 -10.791 -1.649 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -3.837 -11.611 -0.303 1.00 0.00 O -ATOM 1483 H GLU A 89 -0.871 -12.152 3.152 1.00 0.00 H -ATOM 1484 HA GLU A 89 0.662 -13.751 1.366 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -0.657 -12.822 -0.446 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -1.672 -13.368 0.881 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -2.135 -11.125 1.524 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -0.917 -10.498 0.407 1.00 0.00 H -ATOM 1489 N ALA A 90 1.455 -10.664 1.671 1.00 0.00 N -ATOM 1490 CA ALA A 90 2.467 -9.668 1.374 1.00 0.00 C -ATOM 1491 C ALA A 90 3.858 -10.233 1.595 1.00 0.00 C -ATOM 1492 O ALA A 90 4.702 -10.197 0.695 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.259 -8.421 2.220 1.00 0.00 C -ATOM 1494 H ALA A 90 0.787 -10.490 2.364 1.00 0.00 H -ATOM 1495 HA ALA A 90 2.361 -9.397 0.334 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 2.985 -7.671 1.944 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 2.383 -8.672 3.263 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 1.263 -8.034 2.058 1.00 0.00 H -ATOM 1499 N VAL A 91 4.083 -10.797 2.774 1.00 0.00 N -ATOM 1500 CA VAL A 91 5.380 -11.356 3.105 1.00 0.00 C -ATOM 1501 C VAL A 91 5.727 -12.572 2.221 1.00 0.00 C -ATOM 1502 O VAL A 91 6.850 -12.681 1.720 1.00 0.00 O -ATOM 1503 CB VAL A 91 5.527 -11.669 4.634 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 4.470 -12.630 5.144 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 6.913 -12.178 4.955 1.00 0.00 C -ATOM 1506 H VAL A 91 3.358 -10.816 3.436 1.00 0.00 H -ATOM 1507 HA VAL A 91 6.098 -10.589 2.847 1.00 0.00 H -ATOM 1508 HB VAL A 91 5.388 -10.738 5.167 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 4.621 -12.810 6.198 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 4.545 -13.561 4.603 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 3.491 -12.203 4.987 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 7.122 -13.060 4.369 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 6.953 -12.425 6.005 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 7.639 -11.410 4.738 1.00 0.00 H -ATOM 1515 N LYS A 92 4.740 -13.436 1.960 1.00 0.00 N -ATOM 1516 CA LYS A 92 4.968 -14.619 1.117 1.00 0.00 C -ATOM 1517 C LYS A 92 5.222 -14.269 -0.344 1.00 0.00 C -ATOM 1518 O LYS A 92 5.744 -15.095 -1.101 1.00 0.00 O -ATOM 1519 CB LYS A 92 3.839 -15.658 1.210 1.00 0.00 C -ATOM 1520 CG LYS A 92 4.008 -16.716 2.298 1.00 0.00 C -ATOM 1521 CD LYS A 92 3.869 -16.160 3.698 1.00 0.00 C -ATOM 1522 CE LYS A 92 4.026 -17.256 4.745 1.00 0.00 C -ATOM 1523 NZ LYS A 92 3.094 -18.390 4.523 1.00 0.00 N -ATOM 1524 H LYS A 92 3.852 -13.274 2.347 1.00 0.00 H -ATOM 1525 HA LYS A 92 5.873 -15.076 1.488 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 2.918 -15.130 1.412 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 3.747 -16.159 0.257 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 3.266 -17.488 2.156 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 4.990 -17.153 2.188 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 4.646 -15.426 3.849 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 2.900 -15.696 3.806 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 5.040 -17.625 4.715 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 3.832 -16.826 5.716 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 3.316 -18.892 3.641 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 2.105 -18.070 4.469 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 3.152 -19.073 5.304 1.00 0.00 H -ATOM 1537 N ARG A 93 4.868 -13.070 -0.748 1.00 0.00 N -ATOM 1538 CA ARG A 93 5.078 -12.667 -2.121 1.00 0.00 C -ATOM 1539 C ARG A 93 6.535 -12.266 -2.319 1.00 0.00 C -ATOM 1540 O ARG A 93 7.084 -12.382 -3.410 1.00 0.00 O -ATOM 1541 CB ARG A 93 4.202 -11.479 -2.481 1.00 0.00 C -ATOM 1542 CG ARG A 93 4.098 -11.234 -3.978 1.00 0.00 C -ATOM 1543 CD ARG A 93 3.830 -9.788 -4.271 1.00 0.00 C -ATOM 1544 NE ARG A 93 4.992 -8.991 -3.906 1.00 0.00 N -ATOM 1545 CZ ARG A 93 5.138 -7.693 -4.081 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 4.211 -6.988 -4.714 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 6.264 -7.124 -3.688 1.00 0.00 N -ATOM 1548 H ARG A 93 4.449 -12.448 -0.113 1.00 0.00 H -ATOM 1549 HA ARG A 93 4.843 -13.494 -2.770 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 3.211 -11.638 -2.084 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 4.619 -10.593 -2.024 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 5.029 -11.518 -4.448 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 3.294 -11.830 -4.381 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 3.625 -9.670 -5.325 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 2.980 -9.460 -3.691 1.00 0.00 H -ATOM 1556 HE ARG A 93 5.732 -9.506 -3.511 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 3.378 -7.425 -5.090 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 4.281 -6.003 -4.871 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 6.989 -7.683 -3.277 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 6.495 -6.146 -3.769 1.00 0.00 H -ATOM 1561 N ILE A 94 7.145 -11.805 -1.260 1.00 0.00 N -ATOM 1562 CA ILE A 94 8.494 -11.295 -1.325 1.00 0.00 C -ATOM 1563 C ILE A 94 9.492 -12.391 -0.994 1.00 0.00 C -ATOM 1564 O ILE A 94 10.299 -12.788 -1.843 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.668 -10.102 -0.357 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 7.615 -9.034 -0.672 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 10.080 -9.516 -0.474 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 7.575 -7.896 0.310 1.00 0.00 C -ATOM 1569 H ILE A 94 6.687 -11.832 -0.393 1.00 0.00 H -ATOM 1570 HA ILE A 94 8.677 -10.951 -2.332 1.00 0.00 H -ATOM 1571 HB ILE A 94 8.520 -10.451 0.653 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 7.819 -8.615 -1.646 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 6.640 -9.500 -0.687 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 10.808 -10.276 -0.229 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 10.184 -8.683 0.206 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 10.242 -9.174 -1.485 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 6.807 -7.202 0.008 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 8.534 -7.403 0.324 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 7.340 -8.290 1.288 1.00 0.00 H -ATOM 1580 N LEU A 95 9.418 -12.888 0.210 1.00 0.00 N -ATOM 1581 CA LEU A 95 10.311 -13.906 0.666 1.00 0.00 C -ATOM 1582 C LEU A 95 9.624 -14.679 1.762 1.00 0.00 C -ATOM 1583 O LEU A 95 9.635 -14.220 2.925 1.00 0.00 O -ATOM 1584 CB LEU A 95 11.636 -13.286 1.160 1.00 0.00 C -ATOM 1585 CG LEU A 95 12.726 -14.260 1.617 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 13.121 -15.186 0.488 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 13.937 -13.497 2.119 1.00 0.00 C -ATOM 1588 OXT LEU A 95 9.036 -15.741 1.467 1.00 0.00 O -ATOM 1589 H LEU A 95 8.731 -12.588 0.848 1.00 0.00 H -ATOM 1590 HA LEU A 95 10.513 -14.567 -0.164 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 12.042 -12.689 0.358 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 11.416 -12.626 1.985 1.00 0.00 H -ATOM 1593 HG LEU A 95 12.348 -14.865 2.428 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 13.931 -15.821 0.813 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 13.443 -14.598 -0.358 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 12.277 -15.797 0.206 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 14.700 -14.197 2.427 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 13.654 -12.878 2.957 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 14.324 -12.872 1.327 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 7 -ATOM 1 N MET A 1 11.414 15.443 -2.175 1.00 0.00 N -ATOM 2 CA MET A 1 11.627 14.279 -3.021 1.00 0.00 C -ATOM 3 C MET A 1 10.356 13.483 -3.052 1.00 0.00 C -ATOM 4 O MET A 1 9.664 13.390 -2.044 1.00 0.00 O -ATOM 5 CB MET A 1 12.775 13.418 -2.483 1.00 0.00 C -ATOM 6 CG MET A 1 13.137 12.223 -3.356 1.00 0.00 C -ATOM 7 SD MET A 1 13.632 12.710 -5.016 1.00 0.00 S -ATOM 8 CE MET A 1 14.038 11.115 -5.721 1.00 0.00 C -ATOM 9 H MET A 1 11.124 15.131 -1.227 1.00 0.00 H -ATOM 10 HA MET A 1 11.857 14.610 -4.024 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.653 14.035 -2.383 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.482 13.046 -1.513 1.00 0.00 H -ATOM 13 HG2 MET A 1 13.954 11.686 -2.898 1.00 0.00 H -ATOM 14 HG3 MET A 1 12.275 11.575 -3.428 1.00 0.00 H -ATOM 15 HE1 MET A 1 14.357 11.245 -6.744 1.00 0.00 H -ATOM 16 HE2 MET A 1 13.168 10.476 -5.694 1.00 0.00 H -ATOM 17 HE3 MET A 1 14.836 10.661 -5.151 1.00 0.00 H -ATOM 18 N ALA A 2 10.038 12.940 -4.187 1.00 0.00 N -ATOM 19 CA ALA A 2 8.855 12.139 -4.339 1.00 0.00 C -ATOM 20 C ALA A 2 9.222 10.834 -4.978 1.00 0.00 C -ATOM 21 O ALA A 2 10.272 10.719 -5.615 1.00 0.00 O -ATOM 22 CB ALA A 2 7.804 12.859 -5.165 1.00 0.00 C -ATOM 23 H ALA A 2 10.631 13.047 -4.963 1.00 0.00 H -ATOM 24 HA ALA A 2 8.452 11.944 -3.356 1.00 0.00 H -ATOM 25 HB1 ALA A 2 8.188 13.040 -6.157 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.564 13.798 -4.692 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.914 12.250 -5.227 1.00 0.00 H -ATOM 28 N TYR A 3 8.393 9.863 -4.802 1.00 0.00 N -ATOM 29 CA TYR A 3 8.637 8.549 -5.330 1.00 0.00 C -ATOM 30 C TYR A 3 7.564 8.219 -6.342 1.00 0.00 C -ATOM 31 O TYR A 3 6.597 8.976 -6.504 1.00 0.00 O -ATOM 32 CB TYR A 3 8.614 7.496 -4.205 1.00 0.00 C -ATOM 33 CG TYR A 3 9.718 7.594 -3.147 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.964 8.774 -2.452 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.486 6.483 -2.825 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.934 8.848 -1.482 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.455 6.549 -1.842 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.673 7.733 -1.176 1.00 0.00 C -ATOM 39 OH TYR A 3 12.621 7.795 -0.185 1.00 0.00 O -ATOM 40 H TYR A 3 7.560 10.027 -4.311 1.00 0.00 H -ATOM 41 HA TYR A 3 9.607 8.540 -5.803 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.671 7.573 -3.684 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.674 6.519 -4.659 1.00 0.00 H -ATOM 44 HD1 TYR A 3 9.383 9.653 -2.693 1.00 0.00 H -ATOM 45 HD2 TYR A 3 10.315 5.555 -3.349 1.00 0.00 H -ATOM 46 HE1 TYR A 3 11.098 9.780 -0.962 1.00 0.00 H -ATOM 47 HE2 TYR A 3 12.044 5.676 -1.602 1.00 0.00 H -ATOM 48 HH TYR A 3 13.410 7.300 -0.471 1.00 0.00 H -ATOM 49 N PHE A 4 7.737 7.124 -7.021 1.00 0.00 N -ATOM 50 CA PHE A 4 6.743 6.634 -7.941 1.00 0.00 C -ATOM 51 C PHE A 4 5.766 5.773 -7.165 1.00 0.00 C -ATOM 52 O PHE A 4 6.104 5.284 -6.102 1.00 0.00 O -ATOM 53 CB PHE A 4 7.401 5.810 -9.060 1.00 0.00 C -ATOM 54 CG PHE A 4 8.323 6.597 -9.952 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.819 7.349 -11.000 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.694 6.578 -9.746 1.00 0.00 C -ATOM 57 CE1 PHE A 4 8.664 8.066 -11.825 1.00 0.00 C -ATOM 58 CE2 PHE A 4 10.544 7.292 -10.565 1.00 0.00 C -ATOM 59 CZ PHE A 4 10.029 8.039 -11.607 1.00 0.00 C -ATOM 60 H PHE A 4 8.566 6.610 -6.895 1.00 0.00 H -ATOM 61 HA PHE A 4 6.223 7.477 -8.368 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.994 5.033 -8.602 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.641 5.348 -9.672 1.00 0.00 H -ATOM 64 HD1 PHE A 4 6.753 7.374 -11.171 1.00 0.00 H -ATOM 65 HD2 PHE A 4 10.099 5.994 -8.932 1.00 0.00 H -ATOM 66 HE1 PHE A 4 8.260 8.647 -12.641 1.00 0.00 H -ATOM 67 HE2 PHE A 4 11.609 7.269 -10.391 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.690 8.600 -12.249 1.00 0.00 H -ATOM 69 N LEU A 5 4.575 5.610 -7.662 1.00 0.00 N -ATOM 70 CA LEU A 5 3.589 4.771 -7.002 1.00 0.00 C -ATOM 71 C LEU A 5 3.185 3.710 -8.005 1.00 0.00 C -ATOM 72 O LEU A 5 2.856 4.037 -9.148 1.00 0.00 O -ATOM 73 CB LEU A 5 2.367 5.635 -6.560 1.00 0.00 C -ATOM 74 CG LEU A 5 1.345 5.044 -5.532 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.587 3.850 -6.068 1.00 0.00 C -ATOM 76 CD2 LEU A 5 2.023 4.686 -4.221 1.00 0.00 C -ATOM 77 H LEU A 5 4.332 6.051 -8.501 1.00 0.00 H -ATOM 78 HA LEU A 5 4.050 4.307 -6.142 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.746 6.564 -6.162 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.821 5.880 -7.459 1.00 0.00 H -ATOM 81 HG LEU A 5 0.609 5.805 -5.317 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.067 3.470 -5.297 1.00 0.00 H -ATOM 83 HD12 LEU A 5 1.288 3.082 -6.360 1.00 0.00 H -ATOM 84 HD13 LEU A 5 0.000 4.149 -6.923 1.00 0.00 H -ATOM 85 HD21 LEU A 5 1.289 4.278 -3.542 1.00 0.00 H -ATOM 86 HD22 LEU A 5 2.461 5.567 -3.779 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.792 3.948 -4.399 1.00 0.00 H -ATOM 88 N ASP A 6 3.244 2.473 -7.623 1.00 0.00 N -ATOM 89 CA ASP A 6 2.891 1.391 -8.519 1.00 0.00 C -ATOM 90 C ASP A 6 1.991 0.411 -7.796 1.00 0.00 C -ATOM 91 O ASP A 6 2.019 0.333 -6.567 1.00 0.00 O -ATOM 92 CB ASP A 6 4.158 0.690 -9.018 1.00 0.00 C -ATOM 93 CG ASP A 6 3.899 -0.292 -10.130 1.00 0.00 C -ATOM 94 OD1 ASP A 6 3.368 0.125 -11.184 1.00 0.00 O -ATOM 95 OD2 ASP A 6 4.244 -1.473 -9.993 1.00 0.00 O -ATOM 96 H ASP A 6 3.534 2.244 -6.709 1.00 0.00 H -ATOM 97 HA ASP A 6 2.359 1.808 -9.362 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.881 1.417 -9.356 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.556 0.138 -8.182 1.00 0.00 H -ATOM 100 N PHE A 7 1.199 -0.313 -8.533 1.00 0.00 N -ATOM 101 CA PHE A 7 0.265 -1.270 -7.963 1.00 0.00 C -ATOM 102 C PHE A 7 0.551 -2.642 -8.508 1.00 0.00 C -ATOM 103 O PHE A 7 0.750 -2.805 -9.725 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.203 -0.930 -8.309 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.765 0.336 -7.718 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -2.373 0.317 -6.474 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -1.717 1.531 -8.415 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.920 1.465 -5.935 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.266 2.683 -7.886 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.866 2.650 -6.643 1.00 0.00 C -ATOM 111 H PHE A 7 1.277 -0.246 -9.508 1.00 0.00 H -ATOM 112 HA PHE A 7 0.381 -1.271 -6.890 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.307 -0.854 -9.381 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.821 -1.750 -7.975 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -2.413 -0.610 -5.921 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -1.246 1.560 -9.386 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -3.390 1.437 -4.964 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -2.220 3.608 -8.440 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.295 3.549 -6.225 1.00 0.00 H -ATOM 120 N ASP A 8 0.595 -3.623 -7.643 1.00 0.00 N -ATOM 121 CA ASP A 8 0.716 -4.996 -8.091 1.00 0.00 C -ATOM 122 C ASP A 8 -0.598 -5.419 -8.710 1.00 0.00 C -ATOM 123 O ASP A 8 -1.640 -4.892 -8.326 1.00 0.00 O -ATOM 124 CB ASP A 8 1.057 -5.937 -6.947 1.00 0.00 C -ATOM 125 CG ASP A 8 1.175 -7.354 -7.432 1.00 0.00 C -ATOM 126 OD1 ASP A 8 2.150 -7.674 -8.141 1.00 0.00 O -ATOM 127 OD2 ASP A 8 0.276 -8.148 -7.182 1.00 0.00 O -ATOM 128 H ASP A 8 0.564 -3.439 -6.677 1.00 0.00 H -ATOM 129 HA ASP A 8 1.497 -5.026 -8.833 1.00 0.00 H -ATOM 130 HB2 ASP A 8 1.993 -5.639 -6.501 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.272 -5.892 -6.206 1.00 0.00 H -ATOM 132 N GLU A 9 -0.567 -6.352 -9.650 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.778 -6.802 -10.300 1.00 0.00 C -ATOM 134 C GLU A 9 -2.797 -7.368 -9.313 1.00 0.00 C -ATOM 135 O GLU A 9 -3.992 -7.125 -9.458 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.492 -7.724 -11.520 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.622 -8.969 -11.278 1.00 0.00 C -ATOM 138 CD GLU A 9 -1.331 -10.118 -10.584 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -2.555 -10.255 -10.716 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -0.661 -10.948 -9.965 1.00 0.00 O -ATOM 141 H GLU A 9 0.293 -6.752 -9.904 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.227 -5.891 -10.670 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.439 -8.073 -11.902 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -1.021 -7.128 -12.289 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -0.255 -9.326 -12.229 1.00 0.00 H -ATOM 146 HG3 GLU A 9 0.220 -8.673 -10.671 1.00 0.00 H -ATOM 147 N ARG A 10 -2.322 -8.024 -8.254 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.220 -8.585 -7.260 1.00 0.00 C -ATOM 149 C ARG A 10 -3.871 -7.474 -6.485 1.00 0.00 C -ATOM 150 O ARG A 10 -5.094 -7.473 -6.276 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.490 -9.495 -6.289 1.00 0.00 C -ATOM 152 CG ARG A 10 -1.787 -10.651 -6.934 1.00 0.00 C -ATOM 153 CD ARG A 10 -1.128 -11.508 -5.899 1.00 0.00 C -ATOM 154 NE ARG A 10 -0.435 -12.650 -6.486 1.00 0.00 N -ATOM 155 CZ ARG A 10 -0.160 -13.773 -5.817 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -0.648 -13.957 -4.585 1.00 0.00 N -ATOM 157 NH2 ARG A 10 0.563 -14.727 -6.387 1.00 0.00 N -ATOM 158 H ARG A 10 -1.348 -8.129 -8.123 1.00 0.00 H -ATOM 159 HA ARG A 10 -3.979 -9.146 -7.782 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.755 -8.909 -5.758 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.203 -9.884 -5.578 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -2.512 -11.244 -7.470 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -1.040 -10.280 -7.619 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -0.418 -10.907 -5.349 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -1.888 -11.872 -5.224 1.00 0.00 H -ATOM 166 HE ARG A 10 -0.155 -12.505 -7.419 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -1.242 -13.285 -4.113 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -0.442 -14.775 -4.044 1.00 0.00 H -ATOM 169 HH21 ARG A 10 0.930 -14.652 -7.318 1.00 0.00 H -ATOM 170 HH22 ARG A 10 0.774 -15.583 -5.902 1.00 0.00 H -ATOM 171 N ALA A 11 -3.056 -6.514 -6.099 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.498 -5.374 -5.329 1.00 0.00 C -ATOM 173 C ALA A 11 -4.430 -4.507 -6.137 1.00 0.00 C -ATOM 174 O ALA A 11 -5.356 -3.933 -5.604 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.312 -4.555 -4.865 1.00 0.00 C -ATOM 176 H ALA A 11 -2.110 -6.585 -6.348 1.00 0.00 H -ATOM 177 HA ALA A 11 -4.019 -5.739 -4.455 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.785 -4.166 -5.723 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.647 -5.178 -4.285 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -2.664 -3.735 -4.257 1.00 0.00 H -ATOM 181 N LEU A 12 -4.210 -4.464 -7.428 1.00 0.00 N -ATOM 182 CA LEU A 12 -4.986 -3.623 -8.303 1.00 0.00 C -ATOM 183 C LEU A 12 -6.382 -4.202 -8.456 1.00 0.00 C -ATOM 184 O LEU A 12 -7.359 -3.474 -8.539 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.281 -3.483 -9.646 1.00 0.00 C -ATOM 186 CG LEU A 12 -4.765 -2.362 -10.579 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -4.732 -1.007 -9.879 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -3.892 -2.319 -11.819 1.00 0.00 C -ATOM 189 H LEU A 12 -3.487 -5.014 -7.806 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.058 -2.652 -7.835 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -3.219 -3.397 -9.481 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -4.454 -4.415 -10.159 1.00 0.00 H -ATOM 193 HG LEU A 12 -5.779 -2.558 -10.889 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -3.731 -0.803 -9.528 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -5.421 -1.003 -9.048 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -5.024 -0.244 -10.584 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -2.867 -2.135 -11.530 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -4.234 -1.528 -12.468 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -3.956 -3.265 -12.336 1.00 0.00 H -ATOM 200 N LYS A 13 -6.466 -5.517 -8.455 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.750 -6.203 -8.491 1.00 0.00 C -ATOM 202 C LYS A 13 -8.500 -5.928 -7.197 1.00 0.00 C -ATOM 203 O LYS A 13 -9.694 -5.649 -7.204 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.533 -7.693 -8.643 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.822 -8.078 -9.911 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.373 -9.512 -9.848 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.541 -9.888 -11.061 1.00 0.00 C -ATOM 208 NZ LYS A 13 -6.257 -9.720 -12.340 1.00 0.00 N -ATOM 209 H LYS A 13 -5.635 -6.040 -8.439 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.321 -5.831 -9.329 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -6.931 -8.021 -7.810 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.485 -8.199 -8.613 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.492 -7.949 -10.747 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -5.957 -7.442 -10.035 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.754 -9.596 -8.965 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -7.231 -10.162 -9.764 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -4.657 -9.268 -11.080 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -5.245 -10.921 -10.958 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -6.595 -8.748 -12.483 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -7.077 -10.359 -12.397 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -5.621 -9.961 -13.127 1.00 0.00 H -ATOM 222 N GLU A 14 -7.772 -5.972 -6.084 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.338 -5.686 -4.777 1.00 0.00 C -ATOM 224 C GLU A 14 -8.813 -4.237 -4.722 1.00 0.00 C -ATOM 225 O GLU A 14 -9.856 -3.945 -4.177 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.301 -5.944 -3.690 1.00 0.00 C -ATOM 227 CG GLU A 14 -6.798 -7.371 -3.654 1.00 0.00 C -ATOM 228 CD GLU A 14 -7.887 -8.358 -3.354 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -8.340 -8.433 -2.195 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -8.330 -9.074 -4.273 1.00 0.00 O -ATOM 231 H GLU A 14 -6.822 -6.219 -6.138 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.182 -6.343 -4.627 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.459 -5.289 -3.856 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -7.738 -5.714 -2.729 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -6.408 -7.595 -4.637 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.002 -7.476 -2.936 1.00 0.00 H -ATOM 237 N TRP A 15 -8.036 -3.366 -5.324 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.310 -1.938 -5.441 1.00 0.00 C -ATOM 239 C TRP A 15 -9.621 -1.695 -6.214 1.00 0.00 C -ATOM 240 O TRP A 15 -10.417 -0.810 -5.871 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.116 -1.299 -6.170 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.187 0.169 -6.383 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.538 0.815 -7.531 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.868 1.173 -5.431 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.470 2.173 -7.339 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.060 2.415 -6.056 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.446 1.143 -4.101 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.835 3.612 -5.401 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.222 2.331 -3.453 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.419 3.549 -4.099 1.00 0.00 C -ATOM 251 H TRP A 15 -7.189 -3.694 -5.700 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.384 -1.513 -4.450 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.219 -1.493 -5.602 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.021 -1.775 -7.136 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -7.825 0.304 -8.440 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.677 2.865 -8.007 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.290 0.206 -3.587 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.985 4.560 -5.895 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.893 2.331 -2.425 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.230 4.455 -3.543 1.00 0.00 H -ATOM 261 N ARG A 16 -9.837 -2.482 -7.244 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.047 -2.401 -8.050 1.00 0.00 C -ATOM 263 C ARG A 16 -12.230 -3.004 -7.295 1.00 0.00 C -ATOM 264 O ARG A 16 -13.363 -2.534 -7.419 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.833 -3.101 -9.386 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.743 -2.464 -10.230 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.446 -3.285 -11.461 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.363 -2.703 -12.258 1.00 0.00 N -ATOM 269 CZ ARG A 16 -7.512 -3.398 -13.021 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -7.565 -4.729 -13.044 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -6.590 -2.761 -13.738 1.00 0.00 N -ATOM 272 H ARG A 16 -9.140 -3.136 -7.476 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.250 -1.355 -8.227 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.555 -4.128 -9.196 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.754 -3.082 -9.950 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.056 -1.475 -10.530 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.845 -2.386 -9.634 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.148 -4.270 -11.140 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -10.337 -3.353 -12.068 1.00 0.00 H -ATOM 280 HE ARG A 16 -8.297 -1.720 -12.206 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.236 -5.250 -12.510 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -6.924 -5.291 -13.575 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -6.487 -1.761 -13.740 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -5.944 -3.240 -14.339 1.00 0.00 H -ATOM 285 N LYS A 17 -11.933 -4.013 -6.494 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.907 -4.705 -5.656 1.00 0.00 C -ATOM 287 C LYS A 17 -13.328 -3.827 -4.469 1.00 0.00 C -ATOM 288 O LYS A 17 -14.438 -3.955 -3.944 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.289 -6.071 -5.212 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.089 -6.937 -4.210 1.00 0.00 C -ATOM 291 CD LYS A 17 -12.843 -6.550 -2.745 1.00 0.00 C -ATOM 292 CE LYS A 17 -11.390 -6.799 -2.315 1.00 0.00 C -ATOM 293 NZ LYS A 17 -11.014 -8.228 -2.399 1.00 0.00 N -ATOM 294 H LYS A 17 -11.005 -4.335 -6.490 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.779 -4.902 -6.261 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -12.136 -6.667 -6.098 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.318 -5.861 -4.790 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -14.139 -6.811 -4.418 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -12.826 -7.974 -4.351 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -13.070 -5.502 -2.619 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -13.501 -7.136 -2.119 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -10.722 -6.220 -2.933 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -11.284 -6.471 -1.291 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -11.533 -8.783 -1.689 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -9.996 -8.364 -2.206 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -11.225 -8.634 -3.333 1.00 0.00 H -ATOM 307 N LEU A 18 -12.436 -2.959 -4.056 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.668 -2.039 -2.962 1.00 0.00 C -ATOM 309 C LEU A 18 -13.778 -1.062 -3.267 1.00 0.00 C -ATOM 310 O LEU A 18 -14.048 -0.734 -4.440 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.396 -1.262 -2.628 1.00 0.00 C -ATOM 312 CG LEU A 18 -10.765 -1.539 -1.268 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.395 -3.005 -1.110 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.553 -0.659 -1.080 1.00 0.00 C -ATOM 315 H LEU A 18 -11.564 -2.951 -4.506 1.00 0.00 H -ATOM 316 HA LEU A 18 -12.944 -2.616 -2.093 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.660 -1.465 -3.390 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.639 -0.210 -2.673 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.475 -1.287 -0.496 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -9.950 -3.161 -0.140 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -9.693 -3.286 -1.880 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -11.284 -3.612 -1.197 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.854 0.377 -1.136 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -8.829 -0.869 -1.854 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.114 -0.852 -0.111 1.00 0.00 H -ATOM 326 N GLY A 19 -14.410 -0.606 -2.216 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.447 0.364 -2.326 1.00 0.00 C -ATOM 328 C GLY A 19 -14.890 1.683 -2.754 1.00 0.00 C -ATOM 329 O GLY A 19 -13.774 2.045 -2.344 1.00 0.00 O -ATOM 330 H GLY A 19 -14.160 -0.941 -1.330 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.181 0.032 -3.045 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -15.914 0.485 -1.362 1.00 0.00 H -ATOM 333 N SER A 20 -15.644 2.383 -3.569 1.00 0.00 N -ATOM 334 CA SER A 20 -15.265 3.649 -4.153 1.00 0.00 C -ATOM 335 C SER A 20 -14.720 4.636 -3.109 1.00 0.00 C -ATOM 336 O SER A 20 -13.588 5.078 -3.211 1.00 0.00 O -ATOM 337 CB SER A 20 -16.485 4.226 -4.835 1.00 0.00 C -ATOM 338 OG SER A 20 -17.108 3.233 -5.643 1.00 0.00 O -ATOM 339 H SER A 20 -16.525 2.040 -3.833 1.00 0.00 H -ATOM 340 HA SER A 20 -14.514 3.469 -4.907 1.00 0.00 H -ATOM 341 HB2 SER A 20 -17.186 4.565 -4.086 1.00 0.00 H -ATOM 342 HB3 SER A 20 -16.192 5.054 -5.462 1.00 0.00 H -ATOM 343 HG SER A 20 -17.992 3.557 -5.859 1.00 0.00 H -ATOM 344 N THR A 21 -15.490 4.879 -2.077 1.00 0.00 N -ATOM 345 CA THR A 21 -15.151 5.847 -1.053 1.00 0.00 C -ATOM 346 C THR A 21 -13.885 5.411 -0.288 1.00 0.00 C -ATOM 347 O THR A 21 -13.039 6.240 0.071 1.00 0.00 O -ATOM 348 CB THR A 21 -16.339 5.999 -0.081 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.548 6.210 -0.844 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.136 7.177 0.863 1.00 0.00 C -ATOM 351 H THR A 21 -16.317 4.366 -1.968 1.00 0.00 H -ATOM 352 HA THR A 21 -14.972 6.798 -1.533 1.00 0.00 H -ATOM 353 HB THR A 21 -16.431 5.089 0.492 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.366 6.897 -1.497 1.00 0.00 H -ATOM 355 HG21 THR A 21 -15.235 7.031 1.441 1.00 0.00 H -ATOM 356 HG22 THR A 21 -16.983 7.256 1.527 1.00 0.00 H -ATOM 357 HG23 THR A 21 -16.048 8.087 0.288 1.00 0.00 H -ATOM 358 N VAL A 22 -13.734 4.110 -0.109 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.603 3.568 0.609 1.00 0.00 C -ATOM 360 C VAL A 22 -11.325 3.748 -0.203 1.00 0.00 C -ATOM 361 O VAL A 22 -10.327 4.268 0.296 1.00 0.00 O -ATOM 362 CB VAL A 22 -12.810 2.056 0.933 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -11.571 1.453 1.570 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.004 1.869 1.855 1.00 0.00 C -ATOM 365 H VAL A 22 -14.401 3.501 -0.494 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.508 4.109 1.540 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.010 1.533 0.009 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -11.352 1.970 2.493 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -10.733 1.551 0.896 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -11.744 0.407 1.779 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.890 2.270 1.387 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -13.824 2.385 2.787 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.144 0.816 2.053 1.00 0.00 H -ATOM 374 N ARG A 23 -11.382 3.386 -1.461 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.224 3.506 -2.315 1.00 0.00 C -ATOM 376 C ARG A 23 -9.855 4.956 -2.599 1.00 0.00 C -ATOM 377 O ARG A 23 -8.681 5.270 -2.713 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.345 2.709 -3.597 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.587 2.984 -4.392 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.420 2.490 -5.790 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.674 2.557 -6.543 1.00 0.00 N -ATOM 382 CZ ARG A 23 -13.257 1.507 -7.134 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.694 0.304 -7.081 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -14.408 1.660 -7.758 1.00 0.00 N -ATOM 385 H ARG A 23 -12.228 3.029 -1.814 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.406 3.098 -1.739 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.488 2.910 -4.222 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.348 1.660 -3.333 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.385 2.422 -3.927 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.852 4.032 -4.371 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.672 3.130 -6.239 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -11.055 1.475 -5.764 1.00 0.00 H -ATOM 393 HE ARG A 23 -13.095 3.448 -6.588 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -11.825 0.123 -6.606 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -13.120 -0.498 -7.513 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -14.883 2.542 -7.809 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -14.870 0.895 -8.217 1.00 0.00 H -ATOM 398 N GLU A 24 -10.853 5.829 -2.725 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.595 7.245 -2.960 1.00 0.00 C -ATOM 400 C GLU A 24 -9.746 7.830 -1.858 1.00 0.00 C -ATOM 401 O GLU A 24 -8.720 8.445 -2.132 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.882 8.035 -3.106 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.670 7.683 -4.339 1.00 0.00 C -ATOM 404 CD GLU A 24 -13.915 8.491 -4.464 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -14.845 8.320 -3.654 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -14.007 9.304 -5.396 1.00 0.00 O -ATOM 407 H GLU A 24 -11.783 5.514 -2.671 1.00 0.00 H -ATOM 408 HA GLU A 24 -10.035 7.316 -3.881 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.504 7.817 -2.249 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.658 9.092 -3.128 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -12.054 7.858 -5.208 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.936 6.637 -4.294 1.00 0.00 H -ATOM 413 N GLN A 25 -10.143 7.596 -0.613 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.380 8.094 0.532 1.00 0.00 C -ATOM 415 C GLN A 25 -7.987 7.479 0.591 1.00 0.00 C -ATOM 416 O GLN A 25 -7.022 8.152 0.960 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.136 7.911 1.854 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.028 9.096 2.255 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.019 9.526 1.185 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -11.723 10.382 0.352 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.179 8.957 1.195 1.00 0.00 N -ATOM 422 H GLN A 25 -10.959 7.069 -0.463 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.245 9.152 0.357 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.764 7.037 1.767 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.414 7.746 2.641 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.589 8.822 3.136 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -10.388 9.934 2.491 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.363 8.281 1.881 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -13.821 9.218 0.499 1.00 0.00 H -ATOM 430 N LEU A 26 -7.881 6.223 0.200 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.594 5.555 0.151 1.00 0.00 C -ATOM 432 C LEU A 26 -5.700 6.170 -0.920 1.00 0.00 C -ATOM 433 O LEU A 26 -4.532 6.430 -0.670 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.752 4.054 -0.076 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.436 3.264 1.054 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.548 1.804 0.686 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.678 3.420 2.367 1.00 0.00 C -ATOM 438 H LEU A 26 -8.693 5.730 -0.052 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.120 5.714 1.107 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.325 3.933 -0.984 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.770 3.636 -0.239 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.441 3.633 1.193 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.132 1.703 -0.217 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.032 1.269 1.490 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -6.561 1.399 0.524 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -5.658 3.091 2.233 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -7.150 2.808 3.122 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -6.691 4.451 2.685 1.00 0.00 H -ATOM 449 N LYS A 27 -6.251 6.417 -2.101 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.494 7.047 -3.180 1.00 0.00 C -ATOM 451 C LYS A 27 -5.053 8.459 -2.785 1.00 0.00 C -ATOM 452 O LYS A 27 -3.922 8.870 -3.065 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.312 7.127 -4.449 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.529 7.699 -5.616 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.396 7.930 -6.827 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.372 9.065 -6.589 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.268 9.254 -7.729 1.00 0.00 N -ATOM 458 H LYS A 27 -7.182 6.135 -2.267 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.616 6.445 -3.364 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.652 6.135 -4.704 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.170 7.750 -4.253 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.128 8.647 -5.285 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -4.720 7.027 -5.863 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -5.766 8.177 -7.668 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -6.949 7.026 -7.038 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -7.964 8.860 -5.711 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.800 9.969 -6.434 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -7.734 9.454 -8.598 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -8.889 10.070 -7.560 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -8.860 8.414 -7.886 1.00 0.00 H -ATOM 471 N LYS A 28 -5.953 9.194 -2.150 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.650 10.537 -1.645 1.00 0.00 C -ATOM 473 C LYS A 28 -4.502 10.475 -0.645 1.00 0.00 C -ATOM 474 O LYS A 28 -3.653 11.375 -0.591 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.879 11.170 -1.000 1.00 0.00 C -ATOM 476 CG LYS A 28 -8.016 11.418 -1.964 1.00 0.00 C -ATOM 477 CD LYS A 28 -9.251 11.900 -1.241 1.00 0.00 C -ATOM 478 CE LYS A 28 -10.416 12.058 -2.196 1.00 0.00 C -ATOM 479 NZ LYS A 28 -11.665 12.419 -1.489 1.00 0.00 N -ATOM 480 H LYS A 28 -6.855 8.818 -2.044 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.346 11.133 -2.493 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -7.236 10.524 -0.213 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.589 12.119 -0.572 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.712 12.172 -2.674 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -8.245 10.500 -2.485 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.519 11.184 -0.478 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -9.037 12.854 -0.783 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -10.174 12.839 -2.902 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.562 11.128 -2.726 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -11.556 13.330 -0.999 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -11.889 11.692 -0.774 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -12.450 12.493 -2.166 1.00 0.00 H -ATOM 493 N LYS A 29 -4.468 9.402 0.121 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.398 9.167 1.052 1.00 0.00 C -ATOM 495 C LYS A 29 -2.110 8.818 0.329 1.00 0.00 C -ATOM 496 O LYS A 29 -1.039 9.207 0.753 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.752 8.085 2.059 1.00 0.00 C -ATOM 498 CG LYS A 29 -3.822 8.592 3.491 1.00 0.00 C -ATOM 499 CD LYS A 29 -4.970 9.561 3.692 1.00 0.00 C -ATOM 500 CE LYS A 29 -4.965 10.134 5.096 1.00 0.00 C -ATOM 501 NZ LYS A 29 -3.791 11.011 5.343 1.00 0.00 N -ATOM 502 H LYS A 29 -5.205 8.754 0.060 1.00 0.00 H -ATOM 503 HA LYS A 29 -3.232 10.088 1.587 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.714 7.668 1.798 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -3.003 7.310 2.003 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -3.959 7.753 4.158 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -2.895 9.092 3.731 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -4.881 10.373 2.985 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -5.901 9.041 3.526 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -5.877 10.684 5.271 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -4.909 9.286 5.765 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -2.904 10.473 5.400 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -3.900 11.564 6.216 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -3.682 11.698 4.561 1.00 0.00 H -ATOM 515 N LEU A 30 -2.224 8.099 -0.764 1.00 0.00 N -ATOM 516 CA LEU A 30 -1.072 7.731 -1.563 1.00 0.00 C -ATOM 517 C LEU A 30 -0.440 8.956 -2.198 1.00 0.00 C -ATOM 518 O LEU A 30 0.771 9.141 -2.135 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.444 6.717 -2.647 1.00 0.00 C -ATOM 520 CG LEU A 30 -2.003 5.384 -2.160 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.317 4.481 -3.335 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.031 4.714 -1.206 1.00 0.00 C -ATOM 523 H LEU A 30 -3.113 7.775 -1.029 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.354 7.275 -0.899 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.179 7.175 -3.293 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.561 6.516 -3.233 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.929 5.564 -1.632 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -3.036 4.962 -3.981 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -2.729 3.549 -2.975 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -1.411 4.286 -3.888 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -1.430 3.764 -0.886 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -0.902 5.355 -0.346 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.079 4.568 -1.693 1.00 0.00 H -ATOM 534 N VAL A 31 -1.265 9.809 -2.775 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.769 10.995 -3.445 1.00 0.00 C -ATOM 536 C VAL A 31 -0.089 11.969 -2.445 1.00 0.00 C -ATOM 537 O VAL A 31 0.939 12.589 -2.769 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.870 11.691 -4.324 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -2.991 12.281 -3.503 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -1.279 12.730 -5.253 1.00 0.00 C -ATOM 541 H VAL A 31 -2.230 9.615 -2.752 1.00 0.00 H -ATOM 542 HA VAL A 31 0.017 10.639 -4.097 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.310 10.917 -4.934 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -3.742 12.709 -4.152 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -2.588 13.047 -2.859 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -3.430 11.501 -2.899 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -0.799 13.508 -4.678 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -2.076 13.150 -5.850 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -0.558 12.256 -5.902 1.00 0.00 H -ATOM 550 N GLU A 32 -0.649 12.106 -1.235 1.00 0.00 N -ATOM 551 CA GLU A 32 0.002 12.908 -0.204 1.00 0.00 C -ATOM 552 C GLU A 32 1.280 12.215 0.304 1.00 0.00 C -ATOM 553 O GLU A 32 2.329 12.845 0.435 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.940 13.274 0.979 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.470 12.085 1.743 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.263 12.433 2.976 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -1.672 12.579 4.052 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -3.503 12.501 2.915 1.00 0.00 O -ATOM 559 H GLU A 32 -1.507 11.669 -1.041 1.00 0.00 H -ATOM 560 HA GLU A 32 0.319 13.816 -0.695 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.409 13.907 1.673 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.784 13.820 0.583 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -2.108 11.540 1.065 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.634 11.458 2.022 1.00 0.00 H -ATOM 565 N VAL A 33 1.193 10.902 0.530 1.00 0.00 N -ATOM 566 CA VAL A 33 2.280 10.132 1.123 1.00 0.00 C -ATOM 567 C VAL A 33 3.527 10.131 0.247 1.00 0.00 C -ATOM 568 O VAL A 33 4.597 10.060 0.744 1.00 0.00 O -ATOM 569 CB VAL A 33 1.876 8.674 1.542 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.024 7.653 0.416 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.618 8.243 2.798 1.00 0.00 C -ATOM 572 H VAL A 33 0.361 10.427 0.309 1.00 0.00 H -ATOM 573 HA VAL A 33 2.547 10.677 2.016 1.00 0.00 H -ATOM 574 HB VAL A 33 0.823 8.708 1.783 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.444 7.975 -0.435 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.674 6.688 0.749 1.00 0.00 H -ATOM 577 HG13 VAL A 33 3.065 7.576 0.133 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.388 7.214 3.027 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.309 8.868 3.623 1.00 0.00 H -ATOM 580 HG23 VAL A 33 3.680 8.357 2.650 1.00 0.00 H -ATOM 581 N LEU A 34 3.357 10.225 -1.063 1.00 0.00 N -ATOM 582 CA LEU A 34 4.482 10.200 -2.021 1.00 0.00 C -ATOM 583 C LEU A 34 5.569 11.236 -1.739 1.00 0.00 C -ATOM 584 O LEU A 34 6.719 11.034 -2.139 1.00 0.00 O -ATOM 585 CB LEU A 34 3.999 10.335 -3.465 1.00 0.00 C -ATOM 586 CG LEU A 34 3.253 9.138 -4.041 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.770 9.446 -5.451 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.157 7.909 -4.043 1.00 0.00 C -ATOM 589 H LEU A 34 2.437 10.281 -1.400 1.00 0.00 H -ATOM 590 HA LEU A 34 4.956 9.236 -1.922 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.347 11.194 -3.518 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.860 10.526 -4.089 1.00 0.00 H -ATOM 593 HG LEU A 34 2.390 8.925 -3.427 1.00 0.00 H -ATOM 594 HD11 LEU A 34 3.618 9.644 -6.091 1.00 0.00 H -ATOM 595 HD12 LEU A 34 2.131 10.316 -5.428 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.212 8.606 -5.836 1.00 0.00 H -ATOM 597 HD21 LEU A 34 3.635 7.073 -4.480 1.00 0.00 H -ATOM 598 HD22 LEU A 34 4.433 7.652 -3.031 1.00 0.00 H -ATOM 599 HD23 LEU A 34 5.047 8.115 -4.619 1.00 0.00 H -ATOM 600 N GLU A 35 5.232 12.330 -1.077 1.00 0.00 N -ATOM 601 CA GLU A 35 6.241 13.329 -0.784 1.00 0.00 C -ATOM 602 C GLU A 35 7.039 12.989 0.496 1.00 0.00 C -ATOM 603 O GLU A 35 8.070 13.617 0.790 1.00 0.00 O -ATOM 604 CB GLU A 35 5.647 14.753 -0.822 1.00 0.00 C -ATOM 605 CG GLU A 35 4.492 15.030 0.126 1.00 0.00 C -ATOM 606 CD GLU A 35 4.928 15.487 1.483 1.00 0.00 C -ATOM 607 OE1 GLU A 35 5.260 16.670 1.629 1.00 0.00 O -ATOM 608 OE2 GLU A 35 4.909 14.700 2.422 1.00 0.00 O -ATOM 609 H GLU A 35 4.310 12.455 -0.759 1.00 0.00 H -ATOM 610 HA GLU A 35 6.953 13.233 -1.592 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.431 15.455 -0.580 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.311 14.953 -1.830 1.00 0.00 H -ATOM 613 HG2 GLU A 35 3.843 15.780 -0.296 1.00 0.00 H -ATOM 614 HG3 GLU A 35 3.939 14.108 0.256 1.00 0.00 H -ATOM 615 N SER A 36 6.577 11.966 1.211 1.00 0.00 N -ATOM 616 CA SER A 36 7.240 11.433 2.400 1.00 0.00 C -ATOM 617 C SER A 36 6.767 9.979 2.684 1.00 0.00 C -ATOM 618 O SER A 36 6.183 9.703 3.703 1.00 0.00 O -ATOM 619 CB SER A 36 6.999 12.357 3.614 1.00 0.00 C -ATOM 620 OG SER A 36 5.611 12.636 3.788 1.00 0.00 O -ATOM 621 H SER A 36 5.745 11.519 0.941 1.00 0.00 H -ATOM 622 HA SER A 36 8.297 11.379 2.195 1.00 0.00 H -ATOM 623 HB2 SER A 36 7.368 11.876 4.508 1.00 0.00 H -ATOM 624 HB3 SER A 36 7.524 13.289 3.464 1.00 0.00 H -ATOM 625 HG SER A 36 5.414 13.389 3.203 1.00 0.00 H -ATOM 626 N PRO A 37 7.014 9.010 1.758 1.00 0.00 N -ATOM 627 CA PRO A 37 6.460 7.655 1.889 1.00 0.00 C -ATOM 628 C PRO A 37 7.157 6.809 2.936 1.00 0.00 C -ATOM 629 O PRO A 37 6.595 5.839 3.443 1.00 0.00 O -ATOM 630 CB PRO A 37 6.648 7.061 0.502 1.00 0.00 C -ATOM 631 CG PRO A 37 7.835 7.764 -0.040 1.00 0.00 C -ATOM 632 CD PRO A 37 7.795 9.164 0.518 1.00 0.00 C -ATOM 633 HA PRO A 37 5.407 7.686 2.121 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.819 5.997 0.586 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.771 7.245 -0.100 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.735 7.258 0.280 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.787 7.789 -1.118 1.00 0.00 H -ATOM 638 HD2 PRO A 37 8.791 9.523 0.728 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.286 9.827 -0.168 1.00 0.00 H -ATOM 640 N ARG A 38 8.358 7.182 3.278 1.00 0.00 N -ATOM 641 CA ARG A 38 9.128 6.438 4.230 1.00 0.00 C -ATOM 642 C ARG A 38 8.908 6.898 5.681 1.00 0.00 C -ATOM 643 O ARG A 38 9.837 7.209 6.413 1.00 0.00 O -ATOM 644 CB ARG A 38 10.611 6.293 3.787 1.00 0.00 C -ATOM 645 CG ARG A 38 11.255 7.544 3.157 1.00 0.00 C -ATOM 646 CD ARG A 38 11.546 8.640 4.157 1.00 0.00 C -ATOM 647 NE ARG A 38 12.514 8.216 5.168 1.00 0.00 N -ATOM 648 CZ ARG A 38 12.917 8.953 6.201 1.00 0.00 C -ATOM 649 NH1 ARG A 38 12.475 10.201 6.352 1.00 0.00 N -ATOM 650 NH2 ARG A 38 13.762 8.445 7.070 1.00 0.00 N -ATOM 651 H ARG A 38 8.715 8.004 2.880 1.00 0.00 H -ATOM 652 HA ARG A 38 8.682 5.454 4.195 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.195 6.028 4.656 1.00 0.00 H -ATOM 654 HB3 ARG A 38 10.677 5.483 3.074 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.174 7.259 2.670 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.579 7.925 2.405 1.00 0.00 H -ATOM 657 HD2 ARG A 38 11.942 9.498 3.634 1.00 0.00 H -ATOM 658 HD3 ARG A 38 10.622 8.907 4.651 1.00 0.00 H -ATOM 659 HE ARG A 38 12.874 7.305 5.058 1.00 0.00 H -ATOM 660 HH11 ARG A 38 11.838 10.613 5.696 1.00 0.00 H -ATOM 661 HH12 ARG A 38 12.765 10.781 7.119 1.00 0.00 H -ATOM 662 HH21 ARG A 38 14.122 7.513 6.978 1.00 0.00 H -ATOM 663 HH22 ARG A 38 14.099 8.954 7.866 1.00 0.00 H -ATOM 664 N ILE A 39 7.646 6.901 6.074 1.00 0.00 N -ATOM 665 CA ILE A 39 7.217 7.270 7.416 1.00 0.00 C -ATOM 666 C ILE A 39 7.362 6.057 8.327 1.00 0.00 C -ATOM 667 O ILE A 39 6.614 5.083 8.190 1.00 0.00 O -ATOM 668 CB ILE A 39 5.732 7.754 7.403 1.00 0.00 C -ATOM 669 CG1 ILE A 39 5.610 8.999 6.532 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.222 8.040 8.815 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.195 9.475 6.284 1.00 0.00 C -ATOM 672 H ILE A 39 6.970 6.621 5.419 1.00 0.00 H -ATOM 673 HA ILE A 39 7.850 8.073 7.761 1.00 0.00 H -ATOM 674 HB ILE A 39 5.123 6.973 6.973 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.145 9.808 7.007 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.067 8.796 5.574 1.00 0.00 H -ATOM 677 HG21 ILE A 39 5.318 7.151 9.420 1.00 0.00 H -ATOM 678 HG22 ILE A 39 4.184 8.332 8.765 1.00 0.00 H -ATOM 679 HG23 ILE A 39 5.799 8.843 9.247 1.00 0.00 H -ATOM 680 HD11 ILE A 39 3.723 9.757 7.214 1.00 0.00 H -ATOM 681 HD12 ILE A 39 3.632 8.686 5.810 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.237 10.326 5.620 1.00 0.00 H -ATOM 683 N GLU A 40 8.305 6.117 9.251 1.00 0.00 N -ATOM 684 CA GLU A 40 8.619 4.979 10.116 1.00 0.00 C -ATOM 685 C GLU A 40 7.431 4.546 10.981 1.00 0.00 C -ATOM 686 O GLU A 40 7.323 3.376 11.341 1.00 0.00 O -ATOM 687 CB GLU A 40 9.865 5.237 10.971 1.00 0.00 C -ATOM 688 CG GLU A 40 9.747 6.413 11.910 1.00 0.00 C -ATOM 689 CD GLU A 40 10.965 6.605 12.755 1.00 0.00 C -ATOM 690 OE1 GLU A 40 11.897 7.324 12.317 1.00 0.00 O -ATOM 691 OE2 GLU A 40 11.019 6.061 13.880 1.00 0.00 O -ATOM 692 H GLU A 40 8.802 6.959 9.358 1.00 0.00 H -ATOM 693 HA GLU A 40 8.835 4.157 9.449 1.00 0.00 H -ATOM 694 HB2 GLU A 40 10.073 4.357 11.562 1.00 0.00 H -ATOM 695 HB3 GLU A 40 10.701 5.412 10.310 1.00 0.00 H -ATOM 696 HG2 GLU A 40 9.591 7.309 11.327 1.00 0.00 H -ATOM 697 HG3 GLU A 40 8.897 6.249 12.555 1.00 0.00 H -ATOM 698 N ALA A 41 6.535 5.476 11.286 1.00 0.00 N -ATOM 699 CA ALA A 41 5.340 5.171 12.070 1.00 0.00 C -ATOM 700 C ALA A 41 4.412 4.216 11.311 1.00 0.00 C -ATOM 701 O ALA A 41 3.699 3.412 11.911 1.00 0.00 O -ATOM 702 CB ALA A 41 4.594 6.451 12.426 1.00 0.00 C -ATOM 703 H ALA A 41 6.704 6.401 10.999 1.00 0.00 H -ATOM 704 HA ALA A 41 5.657 4.694 12.985 1.00 0.00 H -ATOM 705 HB1 ALA A 41 3.748 6.209 13.051 1.00 0.00 H -ATOM 706 HB2 ALA A 41 4.245 6.928 11.522 1.00 0.00 H -ATOM 707 HB3 ALA A 41 5.254 7.122 12.955 1.00 0.00 H -ATOM 708 N ASN A 42 4.474 4.266 9.991 1.00 0.00 N -ATOM 709 CA ASN A 42 3.604 3.444 9.150 1.00 0.00 C -ATOM 710 C ASN A 42 4.248 2.122 8.790 1.00 0.00 C -ATOM 711 O ASN A 42 3.637 1.304 8.115 1.00 0.00 O -ATOM 712 CB ASN A 42 3.172 4.176 7.867 1.00 0.00 C -ATOM 713 CG ASN A 42 2.207 5.326 8.107 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.420 5.325 9.061 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.231 6.299 7.231 1.00 0.00 N -ATOM 716 H ASN A 42 5.134 4.850 9.560 1.00 0.00 H -ATOM 717 HA ASN A 42 2.719 3.233 9.733 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.049 4.575 7.381 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.699 3.464 7.206 1.00 0.00 H -ATOM 720 HD21 ASN A 42 2.858 6.236 6.481 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.612 7.053 7.343 1.00 0.00 H -ATOM 722 N LYS A 43 5.474 1.911 9.242 1.00 0.00 N -ATOM 723 CA LYS A 43 6.193 0.666 8.974 1.00 0.00 C -ATOM 724 C LYS A 43 5.515 -0.529 9.570 1.00 0.00 C -ATOM 725 O LYS A 43 4.872 -0.444 10.623 1.00 0.00 O -ATOM 726 CB LYS A 43 7.615 0.691 9.507 1.00 0.00 C -ATOM 727 CG LYS A 43 8.628 1.382 8.640 1.00 0.00 C -ATOM 728 CD LYS A 43 10.041 1.348 9.246 1.00 0.00 C -ATOM 729 CE LYS A 43 10.701 -0.059 9.294 1.00 0.00 C -ATOM 730 NZ LYS A 43 10.027 -1.048 10.201 1.00 0.00 N -ATOM 731 H LYS A 43 5.895 2.605 9.792 1.00 0.00 H -ATOM 732 HA LYS A 43 6.245 0.538 7.903 1.00 0.00 H -ATOM 733 HB2 LYS A 43 7.610 1.197 10.461 1.00 0.00 H -ATOM 734 HB3 LYS A 43 7.931 -0.329 9.661 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.653 0.883 7.683 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.327 2.409 8.498 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.669 1.971 8.629 1.00 0.00 H -ATOM 738 HD3 LYS A 43 9.996 1.754 10.245 1.00 0.00 H -ATOM 739 HE2 LYS A 43 10.704 -0.465 8.295 1.00 0.00 H -ATOM 740 HE3 LYS A 43 11.725 0.064 9.614 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 9.814 -0.650 11.136 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 10.685 -1.836 10.370 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 9.173 -1.474 9.790 1.00 0.00 H -ATOM 744 N LEU A 44 5.630 -1.627 8.890 1.00 0.00 N -ATOM 745 CA LEU A 44 5.182 -2.873 9.413 1.00 0.00 C -ATOM 746 C LEU A 44 6.237 -3.439 10.343 1.00 0.00 C -ATOM 747 O LEU A 44 7.356 -2.902 10.433 1.00 0.00 O -ATOM 748 CB LEU A 44 4.801 -3.848 8.299 1.00 0.00 C -ATOM 749 CG LEU A 44 3.544 -3.473 7.513 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.234 -4.499 6.464 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.363 -3.339 8.440 1.00 0.00 C -ATOM 752 H LEU A 44 6.037 -1.593 7.996 1.00 0.00 H -ATOM 753 HA LEU A 44 4.310 -2.667 10.017 1.00 0.00 H -ATOM 754 HB2 LEU A 44 5.628 -3.894 7.606 1.00 0.00 H -ATOM 755 HB3 LEU A 44 4.656 -4.827 8.727 1.00 0.00 H -ATOM 756 HG LEU A 44 3.692 -2.521 7.027 1.00 0.00 H -ATOM 757 HD11 LEU A 44 2.336 -4.185 5.953 1.00 0.00 H -ATOM 758 HD12 LEU A 44 3.062 -5.449 6.946 1.00 0.00 H -ATOM 759 HD13 LEU A 44 4.050 -4.570 5.762 1.00 0.00 H -ATOM 760 HD21 LEU A 44 1.481 -3.147 7.848 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.528 -2.509 9.110 1.00 0.00 H -ATOM 762 HD23 LEU A 44 2.234 -4.253 9.001 1.00 0.00 H -ATOM 763 N ARG A 45 5.906 -4.508 11.005 1.00 0.00 N -ATOM 764 CA ARG A 45 6.740 -5.055 12.030 1.00 0.00 C -ATOM 765 C ARG A 45 7.794 -5.993 11.443 1.00 0.00 C -ATOM 766 O ARG A 45 8.990 -5.798 11.653 1.00 0.00 O -ATOM 767 CB ARG A 45 5.867 -5.790 13.047 1.00 0.00 C -ATOM 768 CG ARG A 45 4.704 -4.951 13.587 1.00 0.00 C -ATOM 769 CD ARG A 45 5.172 -3.733 14.375 1.00 0.00 C -ATOM 770 NE ARG A 45 5.814 -4.102 15.639 1.00 0.00 N -ATOM 771 CZ ARG A 45 6.666 -3.323 16.329 1.00 0.00 C -ATOM 772 NH1 ARG A 45 7.052 -2.143 15.847 1.00 0.00 N -ATOM 773 NH2 ARG A 45 7.116 -3.726 17.500 1.00 0.00 N -ATOM 774 H ARG A 45 5.073 -4.982 10.797 1.00 0.00 H -ATOM 775 HA ARG A 45 7.237 -4.241 12.535 1.00 0.00 H -ATOM 776 HB2 ARG A 45 5.464 -6.679 12.584 1.00 0.00 H -ATOM 777 HB3 ARG A 45 6.488 -6.079 13.877 1.00 0.00 H -ATOM 778 HG2 ARG A 45 4.108 -4.610 12.753 1.00 0.00 H -ATOM 779 HG3 ARG A 45 4.098 -5.576 14.225 1.00 0.00 H -ATOM 780 HD2 ARG A 45 5.873 -3.172 13.778 1.00 0.00 H -ATOM 781 HD3 ARG A 45 4.316 -3.112 14.594 1.00 0.00 H -ATOM 782 HE ARG A 45 5.548 -4.981 15.994 1.00 0.00 H -ATOM 783 HH11 ARG A 45 6.716 -1.798 14.967 1.00 0.00 H -ATOM 784 HH12 ARG A 45 7.699 -1.552 16.335 1.00 0.00 H -ATOM 785 HH21 ARG A 45 6.829 -4.604 17.890 1.00 0.00 H -ATOM 786 HH22 ARG A 45 7.768 -3.185 18.038 1.00 0.00 H -ATOM 787 N GLY A 46 7.362 -6.981 10.696 1.00 0.00 N -ATOM 788 CA GLY A 46 8.296 -7.948 10.150 1.00 0.00 C -ATOM 789 C GLY A 46 8.148 -8.107 8.666 1.00 0.00 C -ATOM 790 O GLY A 46 7.981 -9.220 8.165 1.00 0.00 O -ATOM 791 H GLY A 46 6.403 -7.067 10.508 1.00 0.00 H -ATOM 792 HA2 GLY A 46 9.302 -7.620 10.370 1.00 0.00 H -ATOM 793 HA3 GLY A 46 8.128 -8.904 10.624 1.00 0.00 H -ATOM 794 N MET A 47 8.189 -7.004 7.962 1.00 0.00 N -ATOM 795 CA MET A 47 8.046 -7.001 6.518 1.00 0.00 C -ATOM 796 C MET A 47 9.087 -6.080 5.931 1.00 0.00 C -ATOM 797 O MET A 47 9.243 -4.953 6.417 1.00 0.00 O -ATOM 798 CB MET A 47 6.659 -6.510 6.110 1.00 0.00 C -ATOM 799 CG MET A 47 5.500 -7.400 6.560 1.00 0.00 C -ATOM 800 SD MET A 47 5.508 -9.034 5.781 1.00 0.00 S -ATOM 801 CE MET A 47 5.178 -8.607 4.073 1.00 0.00 C -ATOM 802 H MET A 47 8.354 -6.152 8.418 1.00 0.00 H -ATOM 803 HA MET A 47 8.192 -8.009 6.161 1.00 0.00 H -ATOM 804 HB2 MET A 47 6.546 -5.521 6.528 1.00 0.00 H -ATOM 805 HB3 MET A 47 6.635 -6.423 5.034 1.00 0.00 H -ATOM 806 HG2 MET A 47 5.562 -7.532 7.630 1.00 0.00 H -ATOM 807 HG3 MET A 47 4.571 -6.904 6.317 1.00 0.00 H -ATOM 808 HE1 MET A 47 5.148 -9.510 3.482 1.00 0.00 H -ATOM 809 HE2 MET A 47 5.947 -7.950 3.698 1.00 0.00 H -ATOM 810 HE3 MET A 47 4.216 -8.118 4.016 1.00 0.00 H -ATOM 811 N PRO A 48 9.812 -6.527 4.898 1.00 0.00 N -ATOM 812 CA PRO A 48 10.883 -5.741 4.277 1.00 0.00 C -ATOM 813 C PRO A 48 10.384 -4.445 3.622 1.00 0.00 C -ATOM 814 O PRO A 48 9.746 -4.473 2.556 1.00 0.00 O -ATOM 815 CB PRO A 48 11.484 -6.688 3.225 1.00 0.00 C -ATOM 816 CG PRO A 48 10.415 -7.695 2.962 1.00 0.00 C -ATOM 817 CD PRO A 48 9.659 -7.847 4.250 1.00 0.00 C -ATOM 818 HA PRO A 48 11.635 -5.494 5.010 1.00 0.00 H -ATOM 819 HB2 PRO A 48 11.730 -6.126 2.336 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.375 -7.154 3.622 1.00 0.00 H -ATOM 821 HG2 PRO A 48 9.760 -7.336 2.182 1.00 0.00 H -ATOM 822 HG3 PRO A 48 10.858 -8.637 2.673 1.00 0.00 H -ATOM 823 HD2 PRO A 48 8.621 -8.063 4.050 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.097 -8.625 4.857 1.00 0.00 H -ATOM 825 N ASP A 49 10.607 -3.330 4.330 1.00 0.00 N -ATOM 826 CA ASP A 49 10.298 -1.960 3.853 1.00 0.00 C -ATOM 827 C ASP A 49 8.850 -1.796 3.526 1.00 0.00 C -ATOM 828 O ASP A 49 8.485 -1.038 2.621 1.00 0.00 O -ATOM 829 CB ASP A 49 11.157 -1.555 2.637 1.00 0.00 C -ATOM 830 CG ASP A 49 12.587 -1.260 2.994 1.00 0.00 C -ATOM 831 OD1 ASP A 49 13.383 -2.205 3.094 1.00 0.00 O -ATOM 832 OD2 ASP A 49 12.931 -0.073 3.185 1.00 0.00 O -ATOM 833 H ASP A 49 10.983 -3.457 5.226 1.00 0.00 H -ATOM 834 HA ASP A 49 10.526 -1.286 4.666 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.148 -2.359 1.917 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.725 -0.675 2.185 1.00 0.00 H -ATOM 837 N CYS A 50 8.008 -2.447 4.282 1.00 0.00 N -ATOM 838 CA CYS A 50 6.622 -2.354 4.013 1.00 0.00 C -ATOM 839 C CYS A 50 5.992 -1.397 4.985 1.00 0.00 C -ATOM 840 O CYS A 50 6.349 -1.361 6.176 1.00 0.00 O -ATOM 841 CB CYS A 50 5.969 -3.724 4.069 1.00 0.00 C -ATOM 842 SG CYS A 50 6.696 -4.940 2.936 1.00 0.00 S -ATOM 843 H CYS A 50 8.318 -2.950 5.062 1.00 0.00 H -ATOM 844 HA CYS A 50 6.504 -1.950 3.019 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.063 -4.111 5.072 1.00 0.00 H -ATOM 846 HB3 CYS A 50 4.922 -3.625 3.822 1.00 0.00 H -ATOM 847 HG CYS A 50 7.919 -4.525 2.617 1.00 0.00 H -ATOM 848 N TYR A 51 5.080 -0.637 4.488 1.00 0.00 N -ATOM 849 CA TYR A 51 4.404 0.374 5.226 1.00 0.00 C -ATOM 850 C TYR A 51 2.932 0.202 4.966 1.00 0.00 C -ATOM 851 O TYR A 51 2.543 -0.347 3.919 1.00 0.00 O -ATOM 852 CB TYR A 51 4.842 1.779 4.753 1.00 0.00 C -ATOM 853 CG TYR A 51 6.329 2.123 4.900 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.298 1.522 4.104 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.747 3.067 5.812 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.637 1.849 4.223 1.00 0.00 C -ATOM 857 CE2 TYR A 51 8.084 3.399 5.937 1.00 0.00 C -ATOM 858 CZ TYR A 51 9.023 2.785 5.142 1.00 0.00 C -ATOM 859 OH TYR A 51 10.364 3.127 5.266 1.00 0.00 O -ATOM 860 H TYR A 51 4.814 -0.761 3.547 1.00 0.00 H -ATOM 861 HA TYR A 51 4.617 0.261 6.277 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.600 1.867 3.705 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.272 2.517 5.299 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.994 0.778 3.382 1.00 0.00 H -ATOM 865 HD2 TYR A 51 6.015 3.552 6.439 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.371 1.368 3.593 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.385 4.139 6.663 1.00 0.00 H -ATOM 868 HH TYR A 51 10.758 3.092 4.382 1.00 0.00 H -ATOM 869 N LYS A 52 2.129 0.625 5.883 1.00 0.00 N -ATOM 870 CA LYS A 52 0.708 0.509 5.753 1.00 0.00 C -ATOM 871 C LYS A 52 0.027 1.849 5.951 1.00 0.00 C -ATOM 872 O LYS A 52 0.421 2.652 6.804 1.00 0.00 O -ATOM 873 CB LYS A 52 0.150 -0.489 6.778 1.00 0.00 C -ATOM 874 CG LYS A 52 0.570 -0.165 8.202 1.00 0.00 C -ATOM 875 CD LYS A 52 -0.168 -0.979 9.238 1.00 0.00 C -ATOM 876 CE LYS A 52 0.407 -0.686 10.605 1.00 0.00 C -ATOM 877 NZ LYS A 52 -0.391 -1.256 11.701 1.00 0.00 N -ATOM 878 H LYS A 52 2.500 1.042 6.694 1.00 0.00 H -ATOM 879 HA LYS A 52 0.483 0.135 4.766 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.929 -0.475 6.725 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.509 -1.478 6.534 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.628 -0.363 8.301 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.389 0.885 8.380 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -1.213 -0.706 9.223 1.00 0.00 H -ATOM 885 HD3 LYS A 52 -0.055 -2.031 9.022 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.398 -1.110 10.648 1.00 0.00 H -ATOM 887 HE3 LYS A 52 0.480 0.382 10.714 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 -1.366 -0.893 11.673 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 0.017 -0.965 12.612 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 -0.421 -2.295 11.667 1.00 0.00 H -ATOM 891 N ILE A 53 -0.966 2.089 5.161 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.817 3.220 5.350 1.00 0.00 C -ATOM 893 C ILE A 53 -3.149 2.703 5.792 1.00 0.00 C -ATOM 894 O ILE A 53 -3.695 1.793 5.179 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.961 4.121 4.091 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.605 4.757 3.745 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -3.036 5.204 4.306 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.640 5.693 2.557 1.00 0.00 C -ATOM 899 H ILE A 53 -1.135 1.465 4.420 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.389 3.787 6.160 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.273 3.496 3.267 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.256 5.323 4.596 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.107 3.972 3.533 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -3.137 5.796 3.410 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.760 5.859 5.121 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.985 4.739 4.532 1.00 0.00 H -ATOM 907 HD11 ILE A 53 -1.015 5.162 1.696 1.00 0.00 H -ATOM 908 HD12 ILE A 53 0.359 6.051 2.356 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -1.284 6.529 2.780 1.00 0.00 H -ATOM 910 N LYS A 54 -3.648 3.243 6.845 1.00 0.00 N -ATOM 911 CA LYS A 54 -4.874 2.785 7.406 1.00 0.00 C -ATOM 912 C LYS A 54 -5.930 3.834 7.194 1.00 0.00 C -ATOM 913 O LYS A 54 -5.684 5.033 7.396 1.00 0.00 O -ATOM 914 CB LYS A 54 -4.750 2.411 8.922 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.343 3.552 9.864 1.00 0.00 C -ATOM 916 CD LYS A 54 -2.856 3.869 9.806 1.00 0.00 C -ATOM 917 CE LYS A 54 -2.576 5.207 10.437 1.00 0.00 C -ATOM 918 NZ LYS A 54 -1.153 5.590 10.335 1.00 0.00 N -ATOM 919 H LYS A 54 -3.212 4.038 7.211 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.155 1.897 6.859 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.704 2.034 9.260 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.023 1.618 9.018 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.894 4.438 9.588 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -4.607 3.275 10.875 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -2.339 3.111 10.375 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -2.471 3.855 8.801 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -3.181 5.929 9.908 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -2.877 5.170 11.473 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -0.827 5.579 9.348 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -0.538 4.957 10.884 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -1.031 6.560 10.688 1.00 0.00 H -ATOM 932 N LEU A 55 -7.072 3.418 6.749 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.153 4.321 6.574 1.00 0.00 C -ATOM 934 C LEU A 55 -8.856 4.363 7.913 1.00 0.00 C -ATOM 935 O LEU A 55 -9.650 3.467 8.247 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.085 3.860 5.445 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.795 4.969 4.638 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -10.630 4.372 3.543 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -10.651 5.864 5.512 1.00 0.00 C -ATOM 940 H LEU A 55 -7.187 2.458 6.563 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.743 5.298 6.359 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.503 3.265 4.757 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.842 3.226 5.884 1.00 0.00 H -ATOM 944 HG LEU A 55 -9.039 5.578 4.164 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -9.998 3.807 2.874 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -11.122 5.165 2.999 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -11.374 3.718 3.975 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.419 5.275 5.990 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -11.105 6.628 4.898 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -10.024 6.323 6.262 1.00 0.00 H -ATOM 951 N ARG A 56 -8.487 5.372 8.674 1.00 0.00 N -ATOM 952 CA ARG A 56 -8.859 5.592 10.071 1.00 0.00 C -ATOM 953 C ARG A 56 -10.347 5.358 10.364 1.00 0.00 C -ATOM 954 O ARG A 56 -10.691 4.752 11.373 1.00 0.00 O -ATOM 955 CB ARG A 56 -8.411 7.008 10.475 1.00 0.00 C -ATOM 956 CG ARG A 56 -8.642 7.398 11.922 1.00 0.00 C -ATOM 957 CD ARG A 56 -8.078 8.782 12.182 1.00 0.00 C -ATOM 958 NE ARG A 56 -8.284 9.240 13.562 1.00 0.00 N -ATOM 959 CZ ARG A 56 -7.630 10.268 14.128 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -6.677 10.915 13.455 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -7.929 10.638 15.362 1.00 0.00 N -ATOM 962 H ARG A 56 -7.889 6.028 8.257 1.00 0.00 H -ATOM 963 HA ARG A 56 -8.289 4.892 10.664 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -7.352 7.097 10.282 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -8.924 7.721 9.849 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -9.702 7.401 12.124 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -8.149 6.692 12.571 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -7.019 8.767 11.979 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -8.555 9.479 11.509 1.00 0.00 H -ATOM 970 HE ARG A 56 -8.963 8.749 14.085 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -6.406 10.672 12.521 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -6.191 11.692 13.865 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -8.642 10.155 15.878 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -7.479 11.405 15.829 1.00 0.00 H -ATOM 975 N SER A 57 -11.208 5.808 9.491 1.00 0.00 N -ATOM 976 CA SER A 57 -12.631 5.650 9.698 1.00 0.00 C -ATOM 977 C SER A 57 -13.148 4.251 9.268 1.00 0.00 C -ATOM 978 O SER A 57 -13.900 3.609 10.001 1.00 0.00 O -ATOM 979 CB SER A 57 -13.374 6.767 8.959 1.00 0.00 C -ATOM 980 OG SER A 57 -12.848 8.044 9.338 1.00 0.00 O -ATOM 981 H SER A 57 -10.874 6.288 8.702 1.00 0.00 H -ATOM 982 HA SER A 57 -12.818 5.764 10.755 1.00 0.00 H -ATOM 983 HB2 SER A 57 -13.249 6.639 7.894 1.00 0.00 H -ATOM 984 HB3 SER A 57 -14.424 6.735 9.210 1.00 0.00 H -ATOM 985 HG SER A 57 -12.382 7.893 10.170 1.00 0.00 H -ATOM 986 N SER A 58 -12.712 3.777 8.118 1.00 0.00 N -ATOM 987 CA SER A 58 -13.235 2.545 7.553 1.00 0.00 C -ATOM 988 C SER A 58 -12.665 1.277 8.232 1.00 0.00 C -ATOM 989 O SER A 58 -13.380 0.283 8.403 1.00 0.00 O -ATOM 990 CB SER A 58 -12.930 2.530 6.068 1.00 0.00 C -ATOM 991 OG SER A 58 -13.238 3.788 5.498 1.00 0.00 O -ATOM 992 H SER A 58 -12.031 4.262 7.608 1.00 0.00 H -ATOM 993 HA SER A 58 -14.309 2.554 7.672 1.00 0.00 H -ATOM 994 HB2 SER A 58 -11.882 2.318 5.916 1.00 0.00 H -ATOM 995 HB3 SER A 58 -13.530 1.773 5.585 1.00 0.00 H -ATOM 996 HG SER A 58 -14.180 3.840 5.292 1.00 0.00 H -ATOM 997 N GLY A 59 -11.406 1.314 8.620 1.00 0.00 N -ATOM 998 CA GLY A 59 -10.786 0.135 9.208 1.00 0.00 C -ATOM 999 C GLY A 59 -10.045 -0.678 8.164 1.00 0.00 C -ATOM 1000 O GLY A 59 -9.694 -1.838 8.380 1.00 0.00 O -ATOM 1001 H GLY A 59 -10.885 2.146 8.539 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.093 0.445 9.976 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.553 -0.483 9.649 1.00 0.00 H -ATOM 1004 N TYR A 60 -9.828 -0.063 7.026 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.113 -0.676 5.919 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.660 -0.279 5.974 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.317 0.715 6.605 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.698 -0.219 4.577 1.00 0.00 C -ATOM 1009 CG TYR A 60 -10.965 -0.926 4.151 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.159 -0.773 4.841 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -10.959 -1.738 3.029 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.304 -1.419 4.427 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.095 -2.383 2.608 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.263 -2.223 3.308 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.393 -2.884 2.891 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.139 0.861 6.948 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.212 -1.749 5.996 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -9.924 0.836 4.640 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -8.954 -0.368 3.809 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.182 -0.143 5.718 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.038 -1.863 2.480 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.226 -1.290 4.975 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.064 -3.014 1.732 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.148 -2.287 3.000 1.00 0.00 H -ATOM 1025 N ARG A 61 -6.811 -1.051 5.354 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.414 -0.736 5.287 1.00 0.00 C -ATOM 1027 C ARG A 61 -4.807 -1.153 3.970 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.232 -2.129 3.345 1.00 0.00 O -ATOM 1029 CB ARG A 61 -4.568 -1.204 6.509 1.00 0.00 C -ATOM 1030 CG ARG A 61 -4.674 -2.667 6.918 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.022 -2.989 7.544 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.339 -2.129 8.702 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -6.865 -2.552 9.870 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -7.016 -3.851 10.120 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.230 -1.670 10.791 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.121 -1.861 4.887 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.417 0.342 5.282 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -3.529 -1.015 6.287 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -4.840 -0.593 7.357 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.543 -3.283 6.040 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -3.893 -2.890 7.630 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -6.788 -2.858 6.792 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.000 -4.014 7.859 1.00 0.00 H -ATOM 1044 HE ARG A 61 -6.187 -1.170 8.551 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -6.755 -4.563 9.468 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -7.399 -4.167 10.992 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -7.146 -0.676 10.667 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -7.621 -1.960 11.667 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.851 -0.403 3.547 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.171 -0.622 2.308 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.708 -0.855 2.628 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.097 -0.056 3.333 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.397 0.623 1.407 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.854 0.603 -0.037 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.530 1.685 -0.848 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.367 0.851 -0.064 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.576 0.362 4.101 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.583 -1.497 1.828 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.461 0.794 1.352 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -2.960 1.469 1.917 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.057 -0.353 -0.495 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.135 1.663 -1.854 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.336 2.648 -0.399 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -4.595 1.503 -0.876 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.173 1.796 0.420 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.032 0.894 -1.088 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -0.852 0.061 0.461 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.166 -1.946 2.137 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.201 -2.323 2.421 1.00 0.00 C -ATOM 1070 C VAL A 63 1.056 -2.186 1.172 1.00 0.00 C -ATOM 1071 O VAL A 63 0.757 -2.787 0.117 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.283 -3.781 2.963 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.730 -4.197 3.215 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.533 -3.922 4.242 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.677 -2.523 1.525 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.579 -1.652 3.178 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.134 -4.443 2.219 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.179 -3.509 3.916 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.280 -4.179 2.286 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 1.749 -5.193 3.631 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.149 -3.243 4.988 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.461 -4.936 4.608 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -1.567 -3.685 4.037 1.00 0.00 H -ATOM 1084 N TYR A 64 2.097 -1.409 1.276 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.997 -1.200 0.177 1.00 0.00 C -ATOM 1086 C TYR A 64 4.435 -1.318 0.634 1.00 0.00 C -ATOM 1087 O TYR A 64 4.722 -1.171 1.816 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.740 0.166 -0.513 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.823 1.415 0.369 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.009 1.818 0.969 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.709 2.199 0.568 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.067 2.957 1.739 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.759 3.338 1.333 1.00 0.00 C -ATOM 1094 CZ TYR A 64 2.943 3.713 1.918 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.001 4.848 2.691 1.00 0.00 O -ATOM 1096 H TYR A 64 2.288 -0.969 2.137 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.805 -1.985 -0.539 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.444 0.299 -1.319 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.748 0.139 -0.937 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.897 1.219 0.827 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.781 1.900 0.106 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.000 3.254 2.195 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.866 3.932 1.462 1.00 0.00 H -ATOM 1104 HH TYR A 64 3.819 5.317 2.508 1.00 0.00 H -ATOM 1105 N GLN A 65 5.317 -1.598 -0.280 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.723 -1.628 0.016 1.00 0.00 C -ATOM 1107 C GLN A 65 7.366 -0.414 -0.618 1.00 0.00 C -ATOM 1108 O GLN A 65 7.092 -0.088 -1.783 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.398 -2.939 -0.469 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.326 -3.179 -1.975 1.00 0.00 C -ATOM 1111 CD GLN A 65 7.988 -4.473 -2.422 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.354 -5.521 -2.513 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.263 -4.413 -2.698 1.00 0.00 N -ATOM 1114 H GLN A 65 5.012 -1.774 -1.200 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.830 -1.539 1.087 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.441 -2.900 -0.193 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.943 -3.775 0.040 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.288 -3.206 -2.268 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.812 -2.351 -2.469 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.718 -3.552 -2.596 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.720 -5.223 -3.017 1.00 0.00 H -ATOM 1122 N VAL A 66 8.156 0.289 0.128 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.828 1.435 -0.416 1.00 0.00 C -ATOM 1124 C VAL A 66 10.212 1.021 -0.807 1.00 0.00 C -ATOM 1125 O VAL A 66 11.048 0.720 0.046 1.00 0.00 O -ATOM 1126 CB VAL A 66 8.893 2.633 0.580 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.671 3.803 -0.016 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.499 3.089 0.956 1.00 0.00 C -ATOM 1129 H VAL A 66 8.320 0.004 1.058 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.293 1.740 -1.305 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.401 2.307 1.475 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 9.193 4.132 -0.927 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 10.679 3.485 -0.236 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.700 4.617 0.693 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 6.968 3.399 0.069 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.564 3.917 1.647 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 6.972 2.270 1.424 1.00 0.00 H -ATOM 1138 N ILE A 67 10.455 0.993 -2.075 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.729 0.619 -2.567 1.00 0.00 C -ATOM 1140 C ILE A 67 12.468 1.889 -2.881 1.00 0.00 C -ATOM 1141 O ILE A 67 12.267 2.473 -3.949 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.632 -0.226 -3.861 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.619 -1.366 -3.693 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 13.003 -0.799 -4.197 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 10.373 -2.156 -4.964 1.00 0.00 C -ATOM 1146 H ILE A 67 9.759 1.254 -2.721 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.251 0.058 -1.807 1.00 0.00 H -ATOM 1148 HB ILE A 67 11.315 0.417 -4.668 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.984 -2.054 -2.945 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.676 -0.957 -3.365 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 12.945 -1.364 -5.115 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 13.320 -1.451 -3.396 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.716 0.004 -4.309 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 11.301 -2.595 -5.301 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.989 -1.498 -5.729 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 9.655 -2.938 -4.769 1.00 0.00 H -ATOM 1157 N ASP A 68 13.281 2.343 -1.955 1.00 0.00 N -ATOM 1158 CA ASP A 68 14.021 3.596 -2.140 1.00 0.00 C -ATOM 1159 C ASP A 68 15.037 3.426 -3.240 1.00 0.00 C -ATOM 1160 O ASP A 68 15.287 4.339 -4.018 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.709 4.040 -0.847 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.411 5.384 -0.980 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 16.598 5.427 -1.357 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 14.786 6.423 -0.684 1.00 0.00 O -ATOM 1165 H ASP A 68 13.387 1.824 -1.126 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.313 4.350 -2.450 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 13.973 4.119 -0.061 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.444 3.300 -0.571 1.00 0.00 H -ATOM 1169 N GLU A 69 15.552 2.215 -3.336 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.540 1.837 -4.340 1.00 0.00 C -ATOM 1171 C GLU A 69 15.992 2.049 -5.764 1.00 0.00 C -ATOM 1172 O GLU A 69 16.721 2.427 -6.673 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.910 0.370 -4.158 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.360 -0.002 -2.750 1.00 0.00 C -ATOM 1175 CD GLU A 69 18.578 0.756 -2.295 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 19.691 0.457 -2.772 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 18.458 1.651 -1.440 1.00 0.00 O -ATOM 1178 H GLU A 69 15.265 1.554 -2.671 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.426 2.439 -4.197 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 16.050 -0.235 -4.406 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.710 0.132 -4.845 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 16.553 0.205 -2.065 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 17.579 -1.060 -2.727 1.00 0.00 H -ATOM 1184 N LYS A 70 14.699 1.805 -5.939 1.00 0.00 N -ATOM 1185 CA LYS A 70 14.057 1.959 -7.242 1.00 0.00 C -ATOM 1186 C LYS A 70 13.220 3.231 -7.286 1.00 0.00 C -ATOM 1187 O LYS A 70 12.634 3.561 -8.315 1.00 0.00 O -ATOM 1188 CB LYS A 70 13.183 0.739 -7.578 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.951 -0.555 -7.807 1.00 0.00 C -ATOM 1190 CD LYS A 70 13.009 -1.717 -8.114 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.776 -3.002 -8.411 1.00 0.00 C -ATOM 1192 NZ LYS A 70 12.873 -4.150 -8.644 1.00 0.00 N -ATOM 1193 H LYS A 70 14.160 1.537 -5.168 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.839 2.042 -7.981 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.512 0.570 -6.748 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.604 0.958 -8.463 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.612 -0.409 -8.647 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.530 -0.787 -6.925 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 12.365 -1.886 -7.262 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.409 -1.459 -8.975 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 14.381 -2.851 -9.292 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 14.421 -3.225 -7.573 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 12.200 -3.968 -9.415 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 12.328 -4.391 -7.790 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 13.416 -4.999 -8.899 1.00 0.00 H -ATOM 1206 N VAL A 71 13.178 3.932 -6.151 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.433 5.190 -5.974 1.00 0.00 C -ATOM 1208 C VAL A 71 10.915 4.948 -6.251 1.00 0.00 C -ATOM 1209 O VAL A 71 10.179 5.827 -6.692 1.00 0.00 O -ATOM 1210 CB VAL A 71 13.028 6.339 -6.888 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 12.428 7.706 -6.562 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.548 6.404 -6.758 1.00 0.00 C -ATOM 1213 H VAL A 71 13.687 3.595 -5.383 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.537 5.467 -4.935 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.789 6.106 -7.916 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 11.363 7.675 -6.731 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.876 8.458 -7.196 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.622 7.945 -5.527 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.978 5.461 -7.065 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.810 6.600 -5.729 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.931 7.196 -7.384 1.00 0.00 H -ATOM 1222 N VAL A 72 10.442 3.772 -5.916 1.00 0.00 N -ATOM 1223 CA VAL A 72 9.065 3.435 -6.182 1.00 0.00 C -ATOM 1224 C VAL A 72 8.405 2.802 -4.964 1.00 0.00 C -ATOM 1225 O VAL A 72 9.018 2.021 -4.227 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.912 2.516 -7.448 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.616 1.184 -7.268 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.446 2.298 -7.821 1.00 0.00 C -ATOM 1229 H VAL A 72 11.019 3.128 -5.452 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.551 4.365 -6.380 1.00 0.00 H -ATOM 1231 HB VAL A 72 9.396 3.021 -8.271 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 9.197 0.670 -6.416 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 10.668 1.361 -7.104 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 9.478 0.587 -8.157 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.979 3.248 -8.036 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.933 1.828 -6.994 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 7.388 1.661 -8.691 1.00 0.00 H -ATOM 1238 N VAL A 73 7.196 3.197 -4.741 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.357 2.667 -3.727 1.00 0.00 C -ATOM 1240 C VAL A 73 5.441 1.664 -4.408 1.00 0.00 C -ATOM 1241 O VAL A 73 4.627 2.031 -5.258 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.518 3.802 -3.089 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.611 3.272 -2.011 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.416 4.898 -2.538 1.00 0.00 C -ATOM 1245 H VAL A 73 6.810 3.901 -5.310 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.960 2.184 -2.972 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.900 4.234 -3.863 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 3.931 2.549 -2.436 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 4.047 4.084 -1.578 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 5.203 2.795 -1.244 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 7.076 4.484 -1.790 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 5.810 5.671 -2.091 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 7.003 5.319 -3.341 1.00 0.00 H -ATOM 1254 N PHE A 74 5.583 0.432 -4.058 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.875 -0.638 -4.710 1.00 0.00 C -ATOM 1256 C PHE A 74 3.792 -1.188 -3.802 1.00 0.00 C -ATOM 1257 O PHE A 74 4.091 -1.779 -2.764 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.893 -1.723 -5.103 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.328 -2.958 -5.749 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.819 -2.916 -7.031 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 5.339 -4.169 -5.077 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.332 -4.057 -7.631 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.851 -5.310 -5.669 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.349 -5.253 -6.947 1.00 0.00 C -ATOM 1265 H PHE A 74 6.185 0.212 -3.310 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.423 -0.251 -5.611 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.602 -1.297 -5.797 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.426 -2.025 -4.215 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 4.806 -1.978 -7.566 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.733 -4.214 -4.073 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 3.935 -4.013 -8.635 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.863 -6.247 -5.133 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.966 -6.147 -7.417 1.00 0.00 H -ATOM 1274 N VAL A 75 2.544 -0.955 -4.168 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.410 -1.456 -3.413 1.00 0.00 C -ATOM 1276 C VAL A 75 1.299 -2.947 -3.642 1.00 0.00 C -ATOM 1277 O VAL A 75 1.151 -3.395 -4.784 1.00 0.00 O -ATOM 1278 CB VAL A 75 0.081 -0.751 -3.817 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.106 -1.300 -3.023 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.199 0.760 -3.634 1.00 0.00 C -ATOM 1281 H VAL A 75 2.382 -0.439 -4.992 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.605 -1.286 -2.365 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.101 -0.954 -4.861 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.223 -2.351 -3.243 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -2.010 -0.774 -3.295 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -0.929 -1.179 -1.965 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.460 0.983 -2.611 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 -0.747 1.225 -3.872 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.964 1.142 -4.294 1.00 0.00 H -ATOM 1290 N ILE A 76 1.365 -3.700 -2.569 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.390 -5.141 -2.663 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.001 -5.711 -2.431 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.442 -6.617 -3.133 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.342 -5.749 -1.608 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.696 -5.041 -1.610 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.545 -7.218 -1.904 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.621 -5.510 -0.507 1.00 0.00 C -ATOM 1298 H ILE A 76 1.390 -3.276 -1.683 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.742 -5.421 -3.644 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.889 -5.649 -0.632 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.188 -5.220 -2.554 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.542 -3.978 -1.489 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 1.607 -7.745 -1.807 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 3.284 -7.626 -1.228 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 2.904 -7.318 -2.916 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 4.752 -6.580 -0.587 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.206 -5.260 0.458 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 5.578 -5.029 -0.628 1.00 0.00 H -ATOM 1309 N SER A 77 -0.694 -5.169 -1.460 1.00 0.00 N -ATOM 1310 CA SER A 77 -1.995 -5.652 -1.119 1.00 0.00 C -ATOM 1311 C SER A 77 -2.781 -4.510 -0.493 1.00 0.00 C -ATOM 1312 O SER A 77 -2.190 -3.590 0.090 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.863 -6.841 -0.148 1.00 0.00 C -ATOM 1314 OG SER A 77 -3.104 -7.503 0.037 1.00 0.00 O -ATOM 1315 H SER A 77 -0.342 -4.410 -0.946 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.488 -5.979 -2.021 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.152 -7.549 -0.546 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -1.511 -6.483 0.808 1.00 0.00 H -ATOM 1319 HG SER A 77 -3.057 -8.330 -0.456 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.081 -4.546 -0.631 1.00 0.00 N -ATOM 1321 CA VAL A 78 -4.929 -3.499 -0.121 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.291 -4.073 0.283 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.821 -4.963 -0.394 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.088 -2.343 -1.171 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.670 -2.839 -2.487 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -5.921 -1.203 -0.624 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.513 -5.310 -1.067 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.454 -3.100 0.762 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.099 -1.968 -1.386 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -5.763 -2.013 -3.175 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -6.646 -3.265 -2.307 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -5.022 -3.592 -2.910 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.445 -0.814 0.263 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -6.910 -1.559 -0.380 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -5.983 -0.422 -1.368 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.814 -3.629 1.407 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.118 -4.059 1.824 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.234 -4.168 3.316 1.00 0.00 C -ATOM 1339 O GLY A 79 -7.736 -3.318 4.054 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.309 -3.018 1.992 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.840 -3.335 1.480 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.336 -5.019 1.382 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.898 -5.184 3.762 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.067 -5.422 5.166 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.116 -6.504 5.623 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.623 -7.303 4.815 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.518 -5.806 5.491 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.516 -4.684 5.262 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.945 -5.097 5.607 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.507 -6.150 4.657 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -13.653 -5.650 3.266 1.00 0.00 N -ATOM 1352 H LYS A 80 -9.285 -5.821 3.124 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.825 -4.507 5.686 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.800 -6.635 4.861 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.584 -6.115 6.524 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.242 -3.845 5.884 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.475 -4.387 4.225 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -12.957 -5.503 6.608 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.577 -4.222 5.573 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -12.835 -6.993 4.649 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -14.474 -6.460 5.026 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -14.232 -4.785 3.212 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -14.148 -6.357 2.686 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -12.738 -5.467 2.811 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.852 -6.524 6.890 1.00 0.00 N -ATOM 1366 CA ALA A 81 -6.987 -7.507 7.472 1.00 0.00 C -ATOM 1367 C ALA A 81 -7.731 -8.167 8.591 1.00 0.00 C -ATOM 1368 O ALA A 81 -7.829 -7.613 9.692 1.00 0.00 O -ATOM 1369 CB ALA A 81 -5.700 -6.864 7.979 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.283 -5.868 7.480 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.746 -8.242 6.719 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -5.040 -7.624 8.371 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -5.940 -6.163 8.764 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -5.212 -6.341 7.171 1.00 0.00 H -ATOM 1375 N GLU A 82 -8.331 -9.287 8.300 1.00 0.00 N -ATOM 1376 CA GLU A 82 -9.125 -9.985 9.282 1.00 0.00 C -ATOM 1377 C GLU A 82 -8.607 -11.393 9.470 1.00 0.00 C -ATOM 1378 O GLU A 82 -8.503 -11.884 10.589 1.00 0.00 O -ATOM 1379 CB GLU A 82 -10.595 -9.971 8.863 1.00 0.00 C -ATOM 1380 CG GLU A 82 -11.123 -8.557 8.641 1.00 0.00 C -ATOM 1381 CD GLU A 82 -12.542 -8.514 8.175 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -12.812 -8.917 7.025 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -13.423 -8.061 8.948 1.00 0.00 O -ATOM 1384 H GLU A 82 -8.245 -9.667 7.393 1.00 0.00 H -ATOM 1385 HA GLU A 82 -9.024 -9.459 10.218 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -10.702 -10.528 7.944 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -11.188 -10.439 9.633 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -11.060 -8.015 9.572 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -10.499 -8.071 7.906 1.00 0.00 H -ATOM 1390 N ALA A 83 -8.266 -12.032 8.381 1.00 0.00 N -ATOM 1391 CA ALA A 83 -7.708 -13.368 8.418 1.00 0.00 C -ATOM 1392 C ALA A 83 -6.366 -13.361 7.705 1.00 0.00 C -ATOM 1393 O ALA A 83 -5.919 -14.387 7.155 1.00 0.00 O -ATOM 1394 CB ALA A 83 -8.669 -14.373 7.789 1.00 0.00 C -ATOM 1395 H ALA A 83 -8.398 -11.607 7.500 1.00 0.00 H -ATOM 1396 HA ALA A 83 -7.548 -13.628 9.454 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -8.830 -14.113 6.754 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -9.611 -14.349 8.316 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -8.246 -15.365 7.850 1.00 0.00 H -ATOM 1400 N SER A 84 -5.715 -12.191 7.765 1.00 0.00 N -ATOM 1401 CA SER A 84 -4.390 -11.938 7.195 1.00 0.00 C -ATOM 1402 C SER A 84 -4.407 -11.850 5.673 1.00 0.00 C -ATOM 1403 O SER A 84 -3.420 -12.187 5.026 1.00 0.00 O -ATOM 1404 CB SER A 84 -3.360 -12.972 7.694 1.00 0.00 C -ATOM 1405 OG SER A 84 -3.239 -12.908 9.109 1.00 0.00 O -ATOM 1406 H SER A 84 -6.160 -11.461 8.246 1.00 0.00 H -ATOM 1407 HA SER A 84 -4.094 -10.968 7.561 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -3.690 -13.962 7.418 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -2.397 -12.776 7.247 1.00 0.00 H -ATOM 1410 HG SER A 84 -2.531 -13.505 9.382 1.00 0.00 H -ATOM 1411 N GLU A 85 -5.486 -11.281 5.115 1.00 0.00 N -ATOM 1412 CA GLU A 85 -5.632 -11.132 3.666 1.00 0.00 C -ATOM 1413 C GLU A 85 -4.468 -10.337 3.090 1.00 0.00 C -ATOM 1414 O GLU A 85 -3.767 -10.798 2.184 1.00 0.00 O -ATOM 1415 CB GLU A 85 -6.929 -10.381 3.323 1.00 0.00 C -ATOM 1416 CG GLU A 85 -8.241 -11.109 3.589 1.00 0.00 C -ATOM 1417 CD GLU A 85 -8.483 -11.459 5.029 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -8.260 -10.605 5.928 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -8.876 -12.590 5.290 1.00 0.00 O -ATOM 1420 H GLU A 85 -6.234 -10.966 5.670 1.00 0.00 H -ATOM 1421 HA GLU A 85 -5.670 -12.113 3.216 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -6.948 -9.465 3.894 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -6.886 -10.122 2.279 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -9.061 -10.492 3.254 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -8.238 -12.021 3.009 1.00 0.00 H -ATOM 1426 N VAL A 86 -4.221 -9.179 3.676 1.00 0.00 N -ATOM 1427 CA VAL A 86 -3.166 -8.306 3.201 1.00 0.00 C -ATOM 1428 C VAL A 86 -1.773 -8.841 3.527 1.00 0.00 C -ATOM 1429 O VAL A 86 -0.839 -8.590 2.798 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.316 -6.842 3.712 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -4.607 -6.221 3.198 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -3.260 -6.772 5.234 1.00 0.00 C -ATOM 1433 H VAL A 86 -4.787 -8.899 4.425 1.00 0.00 H -ATOM 1434 HA VAL A 86 -3.253 -8.291 2.124 1.00 0.00 H -ATOM 1435 HB VAL A 86 -2.494 -6.267 3.311 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -5.450 -6.801 3.546 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -4.597 -6.209 2.119 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -4.691 -5.208 3.565 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -2.308 -7.152 5.578 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -4.053 -7.379 5.646 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -3.379 -5.748 5.556 1.00 0.00 H -ATOM 1442 N TYR A 87 -1.654 -9.619 4.593 1.00 0.00 N -ATOM 1443 CA TYR A 87 -0.352 -10.121 5.013 1.00 0.00 C -ATOM 1444 C TYR A 87 0.092 -11.276 4.153 1.00 0.00 C -ATOM 1445 O TYR A 87 1.217 -11.276 3.653 1.00 0.00 O -ATOM 1446 CB TYR A 87 -0.330 -10.533 6.484 1.00 0.00 C -ATOM 1447 CG TYR A 87 -0.473 -9.396 7.471 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 0.624 -8.615 7.810 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 -1.689 -9.121 8.083 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 0.515 -7.593 8.730 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 -1.809 -8.095 8.999 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -0.704 -7.337 9.323 1.00 0.00 C -ATOM 1453 OH TYR A 87 -0.817 -6.321 10.252 1.00 0.00 O -ATOM 1454 H TYR A 87 -2.464 -9.883 5.074 1.00 0.00 H -ATOM 1455 HA TYR A 87 0.352 -9.315 4.872 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 -1.135 -11.228 6.659 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 0.606 -11.034 6.685 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 1.577 -8.816 7.342 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 -2.552 -9.717 7.828 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 1.381 -6.996 8.975 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 -2.763 -7.892 9.463 1.00 0.00 H -ATOM 1462 HH TYR A 87 -1.377 -6.659 10.962 1.00 0.00 H -ATOM 1463 N SER A 88 -0.798 -12.241 3.957 1.00 0.00 N -ATOM 1464 CA SER A 88 -0.500 -13.414 3.167 1.00 0.00 C -ATOM 1465 C SER A 88 -0.159 -13.029 1.733 1.00 0.00 C -ATOM 1466 O SER A 88 0.819 -13.536 1.164 1.00 0.00 O -ATOM 1467 CB SER A 88 -1.675 -14.379 3.206 1.00 0.00 C -ATOM 1468 OG SER A 88 -1.994 -14.735 4.550 1.00 0.00 O -ATOM 1469 H SER A 88 -1.693 -12.192 4.361 1.00 0.00 H -ATOM 1470 HA SER A 88 0.360 -13.896 3.607 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -2.535 -13.906 2.756 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -1.426 -15.273 2.655 1.00 0.00 H -ATOM 1473 HG SER A 88 -2.904 -15.056 4.527 1.00 0.00 H -ATOM 1474 N GLU A 89 -0.924 -12.101 1.165 1.00 0.00 N -ATOM 1475 CA GLU A 89 -0.647 -11.643 -0.176 1.00 0.00 C -ATOM 1476 C GLU A 89 0.642 -10.859 -0.222 1.00 0.00 C -ATOM 1477 O GLU A 89 1.390 -10.976 -1.164 1.00 0.00 O -ATOM 1478 CB GLU A 89 -1.797 -10.823 -0.763 1.00 0.00 C -ATOM 1479 CG GLU A 89 -3.056 -11.628 -1.030 1.00 0.00 C -ATOM 1480 CD GLU A 89 -2.801 -12.809 -1.941 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -2.561 -12.619 -3.151 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -2.837 -13.962 -1.461 1.00 0.00 O -ATOM 1483 H GLU A 89 -1.685 -11.721 1.655 1.00 0.00 H -ATOM 1484 HA GLU A 89 -0.512 -12.529 -0.780 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -2.042 -10.030 -0.073 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -1.471 -10.382 -1.694 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -3.438 -11.997 -0.089 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -3.790 -10.986 -1.493 1.00 0.00 H -ATOM 1489 N ALA A 90 0.921 -10.099 0.828 1.00 0.00 N -ATOM 1490 CA ALA A 90 2.127 -9.300 0.880 1.00 0.00 C -ATOM 1491 C ALA A 90 3.370 -10.169 0.922 1.00 0.00 C -ATOM 1492 O ALA A 90 4.234 -10.052 0.061 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.111 -8.326 2.046 1.00 0.00 C -ATOM 1494 H ALA A 90 0.299 -10.072 1.585 1.00 0.00 H -ATOM 1495 HA ALA A 90 2.150 -8.728 -0.035 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 1.216 -7.723 2.001 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 2.979 -7.686 1.994 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 2.125 -8.878 2.974 1.00 0.00 H -ATOM 1499 N VAL A 91 3.434 -11.078 1.887 1.00 0.00 N -ATOM 1500 CA VAL A 91 4.609 -11.927 2.060 1.00 0.00 C -ATOM 1501 C VAL A 91 4.828 -12.856 0.845 1.00 0.00 C -ATOM 1502 O VAL A 91 5.968 -13.097 0.426 1.00 0.00 O -ATOM 1503 CB VAL A 91 4.582 -12.720 3.418 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 3.389 -13.655 3.528 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 5.883 -13.474 3.652 1.00 0.00 C -ATOM 1506 H VAL A 91 2.667 -11.173 2.496 1.00 0.00 H -ATOM 1507 HA VAL A 91 5.452 -11.250 2.078 1.00 0.00 H -ATOM 1508 HB VAL A 91 4.478 -11.988 4.206 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 3.411 -14.365 2.716 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 2.477 -13.079 3.481 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 3.433 -14.181 4.470 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 5.830 -14.008 4.589 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 6.708 -12.776 3.680 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 6.036 -14.175 2.846 1.00 0.00 H -ATOM 1515 N LYS A 92 3.744 -13.327 0.249 1.00 0.00 N -ATOM 1516 CA LYS A 92 3.837 -14.172 -0.935 1.00 0.00 C -ATOM 1517 C LYS A 92 4.143 -13.366 -2.196 1.00 0.00 C -ATOM 1518 O LYS A 92 4.604 -13.914 -3.184 1.00 0.00 O -ATOM 1519 CB LYS A 92 2.579 -15.042 -1.141 1.00 0.00 C -ATOM 1520 CG LYS A 92 2.593 -16.421 -0.451 1.00 0.00 C -ATOM 1521 CD LYS A 92 2.724 -16.344 1.062 1.00 0.00 C -ATOM 1522 CE LYS A 92 2.716 -17.734 1.702 1.00 0.00 C -ATOM 1523 NZ LYS A 92 1.447 -18.466 1.461 1.00 0.00 N -ATOM 1524 H LYS A 92 2.856 -13.102 0.606 1.00 0.00 H -ATOM 1525 HA LYS A 92 4.678 -14.829 -0.768 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 1.726 -14.496 -0.764 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 2.444 -15.197 -2.201 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 1.670 -16.931 -0.681 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 3.417 -16.993 -0.849 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 3.663 -15.863 1.298 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 1.904 -15.764 1.460 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 3.530 -18.312 1.289 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 2.864 -17.627 2.766 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 1.289 -18.638 0.448 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 0.627 -17.935 1.823 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 1.461 -19.386 1.948 1.00 0.00 H -ATOM 1537 N ARG A 93 3.904 -12.075 -2.171 1.00 0.00 N -ATOM 1538 CA ARG A 93 4.146 -11.282 -3.360 1.00 0.00 C -ATOM 1539 C ARG A 93 5.547 -10.667 -3.319 1.00 0.00 C -ATOM 1540 O ARG A 93 6.004 -10.028 -4.287 1.00 0.00 O -ATOM 1541 CB ARG A 93 3.057 -10.232 -3.554 1.00 0.00 C -ATOM 1542 CG ARG A 93 2.950 -9.675 -4.960 1.00 0.00 C -ATOM 1543 CD ARG A 93 2.684 -10.790 -5.963 1.00 0.00 C -ATOM 1544 NE ARG A 93 2.417 -10.270 -7.289 1.00 0.00 N -ATOM 1545 CZ ARG A 93 2.457 -10.952 -8.425 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 2.792 -12.242 -8.441 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 2.178 -10.329 -9.547 1.00 0.00 N -ATOM 1548 H ARG A 93 3.548 -11.643 -1.364 1.00 0.00 H -ATOM 1549 HA ARG A 93 4.122 -11.976 -4.187 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 2.106 -10.670 -3.292 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 3.259 -9.415 -2.878 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 2.138 -8.964 -5.001 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 3.877 -9.184 -5.219 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 3.558 -11.421 -6.023 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 1.837 -11.371 -5.633 1.00 0.00 H -ATOM 1556 HE ARG A 93 2.165 -9.311 -7.326 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 3.025 -12.745 -7.605 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 2.819 -12.766 -9.297 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 1.940 -9.354 -9.513 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 2.160 -10.787 -10.439 1.00 0.00 H -ATOM 1561 N ILE A 94 6.218 -10.838 -2.187 1.00 0.00 N -ATOM 1562 CA ILE A 94 7.617 -10.488 -2.075 1.00 0.00 C -ATOM 1563 C ILE A 94 8.369 -11.572 -2.827 1.00 0.00 C -ATOM 1564 O ILE A 94 8.494 -12.703 -2.351 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.110 -10.444 -0.590 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 7.328 -9.407 0.241 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 9.616 -10.165 -0.511 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 7.465 -7.973 -0.238 1.00 0.00 C -ATOM 1569 H ILE A 94 5.754 -11.222 -1.413 1.00 0.00 H -ATOM 1570 HA ILE A 94 7.777 -9.536 -2.559 1.00 0.00 H -ATOM 1571 HB ILE A 94 7.941 -11.425 -0.171 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 6.276 -9.653 0.212 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 7.669 -9.451 1.266 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 9.827 -9.212 -0.973 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 10.154 -10.943 -1.032 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 9.926 -10.141 0.523 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 6.891 -7.322 0.405 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 7.096 -7.892 -1.249 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 8.504 -7.680 -0.208 1.00 0.00 H -ATOM 1580 N LEU A 95 8.788 -11.257 -4.011 1.00 0.00 N -ATOM 1581 CA LEU A 95 9.395 -12.223 -4.867 1.00 0.00 C -ATOM 1582 C LEU A 95 10.675 -11.635 -5.434 1.00 0.00 C -ATOM 1583 O LEU A 95 11.748 -11.809 -4.806 1.00 0.00 O -ATOM 1584 CB LEU A 95 8.389 -12.592 -5.981 1.00 0.00 C -ATOM 1585 CG LEU A 95 8.739 -13.773 -6.885 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 8.848 -15.058 -6.079 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 7.693 -13.925 -7.981 1.00 0.00 C -ATOM 1588 OXT LEU A 95 10.621 -10.955 -6.463 1.00 0.00 O -ATOM 1589 H LEU A 95 8.697 -10.337 -4.333 1.00 0.00 H -ATOM 1590 HA LEU A 95 9.617 -13.105 -4.286 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 7.441 -12.808 -5.512 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 8.258 -11.721 -6.605 1.00 0.00 H -ATOM 1593 HG LEU A 95 9.693 -13.585 -7.354 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 9.636 -14.969 -5.346 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 9.065 -15.880 -6.743 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 7.910 -15.244 -5.577 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 7.950 -14.767 -8.607 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 7.666 -13.028 -8.582 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 6.723 -14.091 -7.536 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 8 -ATOM 1 N MET A 1 10.858 13.903 -0.634 1.00 0.00 N -ATOM 2 CA MET A 1 11.185 13.236 -1.882 1.00 0.00 C -ATOM 3 C MET A 1 9.988 12.454 -2.335 1.00 0.00 C -ATOM 4 O MET A 1 9.452 11.654 -1.586 1.00 0.00 O -ATOM 5 CB MET A 1 12.368 12.306 -1.685 1.00 0.00 C -ATOM 6 CG MET A 1 12.848 11.581 -2.934 1.00 0.00 C -ATOM 7 SD MET A 1 14.229 10.460 -2.583 1.00 0.00 S -ATOM 8 CE MET A 1 14.579 9.818 -4.216 1.00 0.00 C -ATOM 9 H MET A 1 10.601 13.194 0.081 1.00 0.00 H -ATOM 10 HA MET A 1 11.427 13.986 -2.620 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.191 12.897 -1.317 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.072 11.570 -0.955 1.00 0.00 H -ATOM 13 HG2 MET A 1 12.028 11.010 -3.342 1.00 0.00 H -ATOM 14 HG3 MET A 1 13.175 12.315 -3.654 1.00 0.00 H -ATOM 15 HE1 MET A 1 15.386 9.104 -4.151 1.00 0.00 H -ATOM 16 HE2 MET A 1 14.869 10.629 -4.868 1.00 0.00 H -ATOM 17 HE3 MET A 1 13.698 9.333 -4.610 1.00 0.00 H -ATOM 18 N ALA A 2 9.589 12.680 -3.544 1.00 0.00 N -ATOM 19 CA ALA A 2 8.419 12.043 -4.102 1.00 0.00 C -ATOM 20 C ALA A 2 8.798 10.781 -4.824 1.00 0.00 C -ATOM 21 O ALA A 2 9.701 10.774 -5.672 1.00 0.00 O -ATOM 22 CB ALA A 2 7.661 12.980 -5.025 1.00 0.00 C -ATOM 23 H ALA A 2 10.145 13.282 -4.079 1.00 0.00 H -ATOM 24 HA ALA A 2 7.772 11.783 -3.277 1.00 0.00 H -ATOM 25 HB1 ALA A 2 8.287 13.249 -5.863 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.371 13.865 -4.481 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.776 12.474 -5.385 1.00 0.00 H -ATOM 28 N TYR A 3 8.133 9.728 -4.478 1.00 0.00 N -ATOM 29 CA TYR A 3 8.370 8.432 -5.068 1.00 0.00 C -ATOM 30 C TYR A 3 7.250 8.129 -6.044 1.00 0.00 C -ATOM 31 O TYR A 3 6.234 8.832 -6.065 1.00 0.00 O -ATOM 32 CB TYR A 3 8.411 7.331 -3.982 1.00 0.00 C -ATOM 33 CG TYR A 3 9.573 7.393 -2.987 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.932 8.573 -2.355 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.276 6.246 -2.649 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.945 8.617 -1.428 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.300 6.285 -1.719 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.629 7.471 -1.112 1.00 0.00 C -ATOM 39 OH TYR A 3 12.639 7.512 -0.166 1.00 0.00 O -ATOM 40 H TYR A 3 7.426 9.824 -3.805 1.00 0.00 H -ATOM 41 HA TYR A 3 9.315 8.458 -5.587 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.500 7.385 -3.404 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.445 6.372 -4.475 1.00 0.00 H -ATOM 44 HD1 TYR A 3 9.397 9.478 -2.604 1.00 0.00 H -ATOM 45 HD2 TYR A 3 10.018 5.312 -3.127 1.00 0.00 H -ATOM 46 HE1 TYR A 3 11.189 9.557 -0.957 1.00 0.00 H -ATOM 47 HE2 TYR A 3 11.832 5.384 -1.462 1.00 0.00 H -ATOM 48 HH TYR A 3 13.416 6.997 -0.454 1.00 0.00 H -ATOM 49 N PHE A 4 7.437 7.127 -6.851 1.00 0.00 N -ATOM 50 CA PHE A 4 6.412 6.676 -7.765 1.00 0.00 C -ATOM 51 C PHE A 4 5.479 5.749 -7.018 1.00 0.00 C -ATOM 52 O PHE A 4 5.881 5.132 -6.044 1.00 0.00 O -ATOM 53 CB PHE A 4 7.034 5.947 -8.965 1.00 0.00 C -ATOM 54 CG PHE A 4 7.879 6.818 -9.852 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.290 7.722 -10.722 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.263 6.724 -9.826 1.00 0.00 C -ATOM 57 CE1 PHE A 4 8.063 8.514 -11.547 1.00 0.00 C -ATOM 58 CE2 PHE A 4 10.040 7.513 -10.646 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.441 8.410 -11.508 1.00 0.00 C -ATOM 60 H PHE A 4 8.300 6.653 -6.833 1.00 0.00 H -ATOM 61 HA PHE A 4 5.860 7.539 -8.111 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.681 5.173 -8.581 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.267 5.482 -9.565 1.00 0.00 H -ATOM 64 HD1 PHE A 4 6.213 7.804 -10.751 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.732 6.023 -9.153 1.00 0.00 H -ATOM 66 HE1 PHE A 4 7.594 9.214 -12.222 1.00 0.00 H -ATOM 67 HE2 PHE A 4 11.116 7.429 -10.615 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.046 9.030 -12.151 1.00 0.00 H -ATOM 69 N LEU A 5 4.256 5.657 -7.448 1.00 0.00 N -ATOM 70 CA LEU A 5 3.289 4.815 -6.786 1.00 0.00 C -ATOM 71 C LEU A 5 2.692 3.864 -7.808 1.00 0.00 C -ATOM 72 O LEU A 5 2.178 4.299 -8.854 1.00 0.00 O -ATOM 73 CB LEU A 5 2.184 5.704 -6.130 1.00 0.00 C -ATOM 74 CG LEU A 5 1.214 5.069 -5.074 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.321 3.979 -5.642 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.975 4.550 -3.870 1.00 0.00 C -ATOM 77 H LEU A 5 3.978 6.163 -8.240 1.00 0.00 H -ATOM 78 HA LEU A 5 3.796 4.252 -6.018 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.684 6.534 -5.655 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.583 6.106 -6.932 1.00 0.00 H -ATOM 81 HG LEU A 5 0.557 5.852 -4.727 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.357 4.401 -6.370 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.228 3.513 -4.838 1.00 0.00 H -ATOM 84 HD13 LEU A 5 0.939 3.232 -6.119 1.00 0.00 H -ATOM 85 HD21 LEU A 5 1.275 4.138 -3.159 1.00 0.00 H -ATOM 86 HD22 LEU A 5 2.525 5.357 -3.409 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.657 3.775 -4.187 1.00 0.00 H -ATOM 88 N ASP A 6 2.782 2.595 -7.526 1.00 0.00 N -ATOM 89 CA ASP A 6 2.178 1.570 -8.335 1.00 0.00 C -ATOM 90 C ASP A 6 1.497 0.562 -7.473 1.00 0.00 C -ATOM 91 O ASP A 6 1.818 0.404 -6.290 1.00 0.00 O -ATOM 92 CB ASP A 6 3.168 0.854 -9.264 1.00 0.00 C -ATOM 93 CG ASP A 6 3.435 1.589 -10.545 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.579 1.521 -11.476 1.00 0.00 O -ATOM 95 OD2 ASP A 6 4.490 2.212 -10.679 1.00 0.00 O -ATOM 96 H ASP A 6 3.282 2.306 -6.727 1.00 0.00 H -ATOM 97 HA ASP A 6 1.429 2.057 -8.941 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.109 0.731 -8.750 1.00 0.00 H -ATOM 99 HB3 ASP A 6 2.773 -0.123 -9.503 1.00 0.00 H -ATOM 100 N PHE A 7 0.554 -0.098 -8.038 1.00 0.00 N -ATOM 101 CA PHE A 7 -0.149 -1.137 -7.365 1.00 0.00 C -ATOM 102 C PHE A 7 0.343 -2.448 -7.911 1.00 0.00 C -ATOM 103 O PHE A 7 0.521 -2.575 -9.136 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.662 -1.026 -7.620 1.00 0.00 C -ATOM 105 CG PHE A 7 -2.274 0.290 -7.222 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -2.706 0.502 -5.928 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.418 1.313 -8.150 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -3.268 1.707 -5.562 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.978 2.519 -7.789 1.00 0.00 C -ATOM 110 CZ PHE A 7 -3.404 2.717 -6.493 1.00 0.00 C -ATOM 111 H PHE A 7 0.320 0.113 -8.967 1.00 0.00 H -ATOM 112 HA PHE A 7 0.043 -1.071 -6.306 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.845 -1.163 -8.676 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -2.165 -1.811 -7.075 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -2.599 -0.286 -5.199 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.085 1.157 -9.165 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -3.602 1.861 -4.546 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.083 3.307 -8.520 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.843 3.661 -6.207 1.00 0.00 H -ATOM 120 N ASP A 8 0.613 -3.396 -7.034 1.00 0.00 N -ATOM 121 CA ASP A 8 0.947 -4.756 -7.456 1.00 0.00 C -ATOM 122 C ASP A 8 -0.267 -5.268 -8.178 1.00 0.00 C -ATOM 123 O ASP A 8 -1.377 -4.942 -7.770 1.00 0.00 O -ATOM 124 CB ASP A 8 1.213 -5.635 -6.226 1.00 0.00 C -ATOM 125 CG ASP A 8 1.597 -7.055 -6.546 1.00 0.00 C -ATOM 126 OD1 ASP A 8 0.705 -7.883 -6.858 1.00 0.00 O -ATOM 127 OD2 ASP A 8 2.798 -7.380 -6.450 1.00 0.00 O -ATOM 128 H ASP A 8 0.578 -3.214 -6.070 1.00 0.00 H -ATOM 129 HA ASP A 8 1.808 -4.735 -8.107 1.00 0.00 H -ATOM 130 HB2 ASP A 8 2.016 -5.199 -5.652 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.323 -5.651 -5.615 1.00 0.00 H -ATOM 132 N GLU A 9 -0.096 -6.024 -9.235 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.236 -6.470 -10.015 1.00 0.00 C -ATOM 134 C GLU A 9 -2.278 -7.230 -9.192 1.00 0.00 C -ATOM 135 O GLU A 9 -3.464 -7.121 -9.468 1.00 0.00 O -ATOM 136 CB GLU A 9 -0.836 -7.236 -11.261 1.00 0.00 C -ATOM 137 CG GLU A 9 0.021 -8.448 -11.020 1.00 0.00 C -ATOM 138 CD GLU A 9 0.228 -9.210 -12.283 1.00 0.00 C -ATOM 139 OE1 GLU A 9 0.993 -8.753 -13.146 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -0.412 -10.262 -12.461 1.00 0.00 O -ATOM 141 H GLU A 9 0.816 -6.272 -9.497 1.00 0.00 H -ATOM 142 HA GLU A 9 -1.725 -5.559 -10.328 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -1.733 -7.562 -11.768 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.299 -6.566 -11.916 1.00 0.00 H -ATOM 145 HG2 GLU A 9 0.980 -8.132 -10.638 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -0.468 -9.090 -10.302 1.00 0.00 H -ATOM 147 N ARG A 10 -1.853 -7.947 -8.152 1.00 0.00 N -ATOM 148 CA ARG A 10 -2.807 -8.635 -7.298 1.00 0.00 C -ATOM 149 C ARG A 10 -3.561 -7.635 -6.439 1.00 0.00 C -ATOM 150 O ARG A 10 -4.782 -7.747 -6.248 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.158 -9.714 -6.436 1.00 0.00 C -ATOM 152 CG ARG A 10 -1.729 -10.957 -7.196 1.00 0.00 C -ATOM 153 CD ARG A 10 -1.126 -11.980 -6.249 1.00 0.00 C -ATOM 154 NE ARG A 10 -0.838 -13.264 -6.909 1.00 0.00 N -ATOM 155 CZ ARG A 10 0.346 -13.887 -6.881 1.00 0.00 C -ATOM 156 NH1 ARG A 10 1.438 -13.224 -6.511 1.00 0.00 N -ATOM 157 NH2 ARG A 10 0.446 -15.143 -7.299 1.00 0.00 N -ATOM 158 H ARG A 10 -0.889 -7.976 -7.936 1.00 0.00 H -ATOM 159 HA ARG A 10 -3.518 -9.092 -7.967 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.283 -9.291 -5.966 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -2.859 -10.009 -5.668 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -2.587 -11.391 -7.686 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -0.994 -10.682 -7.937 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -0.214 -11.581 -5.835 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -1.828 -12.150 -5.446 1.00 0.00 H -ATOM 166 HE ARG A 10 -1.624 -13.697 -7.311 1.00 0.00 H -ATOM 167 HH11 ARG A 10 1.397 -12.251 -6.264 1.00 0.00 H -ATOM 168 HH12 ARG A 10 2.335 -13.664 -6.453 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -0.352 -15.644 -7.643 1.00 0.00 H -ATOM 170 HH22 ARG A 10 1.317 -15.642 -7.297 1.00 0.00 H -ATOM 171 N ALA A 11 -2.837 -6.646 -5.953 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.406 -5.581 -5.153 1.00 0.00 C -ATOM 173 C ALA A 11 -4.317 -4.703 -5.991 1.00 0.00 C -ATOM 174 O ALA A 11 -5.285 -4.175 -5.496 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.321 -4.747 -4.516 1.00 0.00 C -ATOM 176 H ALA A 11 -1.878 -6.620 -6.159 1.00 0.00 H -ATOM 177 HA ALA A 11 -3.991 -6.038 -4.369 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.733 -4.270 -5.287 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.684 -5.380 -3.916 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -2.771 -3.990 -3.890 1.00 0.00 H -ATOM 181 N LEU A 12 -4.000 -4.575 -7.273 1.00 0.00 N -ATOM 182 CA LEU A 12 -4.779 -3.754 -8.190 1.00 0.00 C -ATOM 183 C LEU A 12 -6.136 -4.386 -8.404 1.00 0.00 C -ATOM 184 O LEU A 12 -7.145 -3.697 -8.542 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.053 -3.597 -9.525 1.00 0.00 C -ATOM 186 CG LEU A 12 -4.722 -2.692 -10.569 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -4.854 -1.265 -10.056 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -3.941 -2.723 -11.868 1.00 0.00 C -ATOM 189 H LEU A 12 -3.196 -5.041 -7.597 1.00 0.00 H -ATOM 190 HA LEU A 12 -4.906 -2.783 -7.735 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -3.047 -3.250 -9.342 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -3.993 -4.586 -9.951 1.00 0.00 H -ATOM 193 HG LEU A 12 -5.717 -3.063 -10.764 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -5.317 -0.659 -10.821 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -3.877 -0.870 -9.822 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -5.471 -1.253 -9.169 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -2.940 -2.355 -11.697 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -4.436 -2.100 -12.598 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -3.893 -3.737 -12.236 1.00 0.00 H -ATOM 200 N LYS A 13 -6.151 -5.705 -8.408 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.379 -6.462 -8.528 1.00 0.00 C -ATOM 202 C LYS A 13 -8.250 -6.178 -7.322 1.00 0.00 C -ATOM 203 O LYS A 13 -9.444 -5.948 -7.456 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.069 -7.950 -8.624 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.225 -8.312 -9.829 1.00 0.00 C -ATOM 206 CD LYS A 13 -5.672 -9.711 -9.708 1.00 0.00 C -ATOM 207 CE LYS A 13 -4.705 -10.039 -10.842 1.00 0.00 C -ATOM 208 NZ LYS A 13 -5.347 -10.011 -12.176 1.00 0.00 N -ATOM 209 H LYS A 13 -5.297 -6.179 -8.330 1.00 0.00 H -ATOM 210 HA LYS A 13 -7.886 -6.140 -9.425 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -6.536 -8.248 -7.733 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -7.998 -8.496 -8.679 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -6.835 -8.253 -10.717 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -5.403 -7.614 -9.904 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.145 -9.765 -8.767 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -6.485 -10.422 -9.702 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -3.908 -9.310 -10.832 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -4.289 -11.019 -10.664 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -6.150 -10.670 -12.225 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -4.671 -10.327 -12.901 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -5.678 -9.067 -12.454 1.00 0.00 H -ATOM 222 N GLU A 14 -7.621 -6.150 -6.151 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.304 -5.843 -4.909 1.00 0.00 C -ATOM 224 C GLU A 14 -8.746 -4.371 -4.870 1.00 0.00 C -ATOM 225 O GLU A 14 -9.807 -4.052 -4.385 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.393 -6.147 -3.734 1.00 0.00 C -ATOM 227 CG GLU A 14 -6.928 -7.583 -3.692 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.073 -8.554 -3.591 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -8.721 -8.616 -2.524 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -8.360 -9.274 -4.582 1.00 0.00 O -ATOM 231 H GLU A 14 -6.664 -6.370 -6.110 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.170 -6.483 -4.852 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.525 -5.507 -3.796 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -7.923 -5.932 -2.818 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -6.390 -7.786 -4.606 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.267 -7.716 -2.851 1.00 0.00 H -ATOM 237 N TRP A 15 -7.921 -3.508 -5.403 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.188 -2.074 -5.490 1.00 0.00 C -ATOM 239 C TRP A 15 -9.452 -1.808 -6.321 1.00 0.00 C -ATOM 240 O TRP A 15 -10.309 -1.019 -5.932 1.00 0.00 O -ATOM 241 CB TRP A 15 -6.955 -1.395 -6.115 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.073 0.072 -6.370 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.345 0.670 -7.563 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.897 1.122 -5.421 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.363 2.038 -7.410 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.087 2.339 -6.105 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.598 1.152 -4.058 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.989 3.570 -5.470 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.500 2.372 -3.432 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.693 3.566 -4.135 1.00 0.00 C -ATOM 251 H TRP A 15 -7.056 -3.841 -5.728 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.339 -1.685 -4.492 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.105 -1.542 -5.466 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -6.754 -1.879 -7.059 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -7.517 0.118 -8.477 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.539 2.687 -8.127 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.445 0.241 -3.500 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -7.137 4.500 -6.000 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -6.267 2.415 -2.378 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.605 4.497 -3.595 1.00 0.00 H -ATOM 261 N ARG A 16 -9.560 -2.488 -7.450 1.00 0.00 N -ATOM 262 CA ARG A 16 -10.726 -2.359 -8.330 1.00 0.00 C -ATOM 263 C ARG A 16 -11.931 -3.097 -7.725 1.00 0.00 C -ATOM 264 O ARG A 16 -13.083 -2.844 -8.074 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.394 -2.897 -9.724 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.223 -2.181 -10.393 1.00 0.00 C -ATOM 267 CD ARG A 16 -8.860 -2.815 -11.727 1.00 0.00 C -ATOM 268 NE ARG A 16 -9.926 -2.665 -12.725 1.00 0.00 N -ATOM 269 CZ ARG A 16 -10.047 -3.373 -13.860 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -9.202 -4.367 -14.128 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -11.024 -3.082 -14.712 1.00 0.00 N -ATOM 272 H ARG A 16 -8.820 -3.085 -7.700 1.00 0.00 H -ATOM 273 HA ARG A 16 -10.965 -1.308 -8.398 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.146 -3.944 -9.639 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.263 -2.790 -10.356 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -9.493 -1.148 -10.559 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.369 -2.227 -9.734 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -7.956 -2.360 -12.101 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -8.692 -3.866 -11.552 1.00 0.00 H -ATOM 280 HE ARG A 16 -10.578 -1.958 -12.521 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.458 -4.614 -13.504 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -9.273 -4.940 -14.951 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -11.679 -2.342 -14.534 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -11.164 -3.583 -15.570 1.00 0.00 H -ATOM 285 N LYS A 17 -11.628 -4.021 -6.844 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.602 -4.807 -6.093 1.00 0.00 C -ATOM 287 C LYS A 17 -13.233 -3.951 -4.989 1.00 0.00 C -ATOM 288 O LYS A 17 -14.353 -4.219 -4.542 1.00 0.00 O -ATOM 289 CB LYS A 17 -11.863 -6.004 -5.504 1.00 0.00 C -ATOM 290 CG LYS A 17 -12.581 -6.848 -4.483 1.00 0.00 C -ATOM 291 CD LYS A 17 -11.617 -7.891 -3.974 1.00 0.00 C -ATOM 292 CE LYS A 17 -12.156 -8.699 -2.828 1.00 0.00 C -ATOM 293 NZ LYS A 17 -11.161 -9.690 -2.375 1.00 0.00 N -ATOM 294 H LYS A 17 -10.677 -4.200 -6.688 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.367 -5.160 -6.768 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -11.571 -6.656 -6.312 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -10.965 -5.615 -5.046 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -12.913 -6.222 -3.668 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -13.423 -7.338 -4.946 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -11.381 -8.565 -4.782 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -10.711 -7.396 -3.656 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -12.396 -8.034 -2.010 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -13.047 -9.219 -3.147 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -11.459 -10.154 -1.493 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -10.228 -9.233 -2.246 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -11.016 -10.417 -3.104 1.00 0.00 H -ATOM 307 N LEU A 18 -12.511 -2.938 -4.549 1.00 0.00 N -ATOM 308 CA LEU A 18 -13.011 -1.995 -3.575 1.00 0.00 C -ATOM 309 C LEU A 18 -14.121 -1.160 -4.176 1.00 0.00 C -ATOM 310 O LEU A 18 -14.334 -1.169 -5.396 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.884 -1.080 -3.066 1.00 0.00 C -ATOM 312 CG LEU A 18 -11.204 -1.450 -1.736 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.765 -2.895 -1.690 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -10.022 -0.544 -1.514 1.00 0.00 C -ATOM 315 H LEU A 18 -11.602 -2.809 -4.895 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.406 -2.556 -2.743 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -11.121 -1.043 -3.829 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -12.296 -0.088 -2.965 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.885 -1.289 -0.918 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -10.063 -3.086 -2.488 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -11.634 -3.523 -1.816 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.301 -3.104 -0.738 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.317 -0.665 -2.322 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -9.549 -0.791 -0.575 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -10.370 0.479 -1.489 1.00 0.00 H -ATOM 326 N GLY A 19 -14.819 -0.441 -3.337 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.899 0.398 -3.811 1.00 0.00 C -ATOM 328 C GLY A 19 -15.369 1.682 -4.402 1.00 0.00 C -ATOM 329 O GLY A 19 -14.376 1.681 -5.110 1.00 0.00 O -ATOM 330 H GLY A 19 -14.582 -0.484 -2.385 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.455 -0.137 -4.567 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.559 0.639 -2.991 1.00 0.00 H -ATOM 333 N SER A 20 -16.001 2.767 -4.131 1.00 0.00 N -ATOM 334 CA SER A 20 -15.499 4.015 -4.610 1.00 0.00 C -ATOM 335 C SER A 20 -14.899 4.780 -3.448 1.00 0.00 C -ATOM 336 O SER A 20 -13.694 4.997 -3.394 1.00 0.00 O -ATOM 337 CB SER A 20 -16.613 4.830 -5.305 1.00 0.00 C -ATOM 338 OG SER A 20 -16.093 6.009 -5.914 1.00 0.00 O -ATOM 339 H SER A 20 -16.837 2.727 -3.619 1.00 0.00 H -ATOM 340 HA SER A 20 -14.718 3.802 -5.325 1.00 0.00 H -ATOM 341 HB2 SER A 20 -17.081 4.226 -6.068 1.00 0.00 H -ATOM 342 HB3 SER A 20 -17.354 5.114 -4.573 1.00 0.00 H -ATOM 343 HG SER A 20 -15.880 6.654 -5.210 1.00 0.00 H -ATOM 344 N THR A 21 -15.741 5.059 -2.476 1.00 0.00 N -ATOM 345 CA THR A 21 -15.437 5.895 -1.325 1.00 0.00 C -ATOM 346 C THR A 21 -14.157 5.464 -0.587 1.00 0.00 C -ATOM 347 O THR A 21 -13.329 6.307 -0.224 1.00 0.00 O -ATOM 348 CB THR A 21 -16.631 5.864 -0.353 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.835 6.125 -1.094 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.488 6.924 0.726 1.00 0.00 C -ATOM 351 H THR A 21 -16.642 4.686 -2.534 1.00 0.00 H -ATOM 352 HA THR A 21 -15.323 6.911 -1.669 1.00 0.00 H -ATOM 353 HB THR A 21 -16.688 4.887 0.102 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.732 7.023 -1.446 1.00 0.00 H -ATOM 355 HG21 THR A 21 -17.323 6.858 1.408 1.00 0.00 H -ATOM 356 HG22 THR A 21 -16.479 7.901 0.267 1.00 0.00 H -ATOM 357 HG23 THR A 21 -15.566 6.769 1.267 1.00 0.00 H -ATOM 358 N VAL A 22 -13.986 4.166 -0.389 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.827 3.670 0.331 1.00 0.00 C -ATOM 360 C VAL A 22 -11.544 3.916 -0.456 1.00 0.00 C -ATOM 361 O VAL A 22 -10.583 4.472 0.070 1.00 0.00 O -ATOM 362 CB VAL A 22 -12.950 2.160 0.617 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -11.726 1.663 1.353 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.205 1.863 1.414 1.00 0.00 C -ATOM 365 H VAL A 22 -14.658 3.539 -0.725 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.769 4.193 1.274 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.012 1.642 -0.328 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -11.825 0.605 1.547 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -11.630 2.193 2.290 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -10.850 1.837 0.748 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -15.068 2.193 0.855 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -14.162 2.378 2.361 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.275 0.799 1.585 1.00 0.00 H -ATOM 374 N ARG A 23 -11.563 3.562 -1.722 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.401 3.731 -2.555 1.00 0.00 C -ATOM 376 C ARG A 23 -10.086 5.186 -2.836 1.00 0.00 C -ATOM 377 O ARG A 23 -8.930 5.543 -2.959 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.389 2.873 -3.800 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.611 2.939 -4.658 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.241 2.461 -6.041 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.395 2.200 -6.893 1.00 0.00 N -ATOM 382 CZ ARG A 23 -12.347 2.131 -8.227 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -11.249 2.492 -8.880 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.400 1.716 -8.909 1.00 0.00 N -ATOM 385 H ARG A 23 -12.384 3.200 -2.107 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.594 3.404 -1.916 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.545 3.152 -4.410 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.265 1.840 -3.500 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.326 2.252 -4.226 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -12.045 3.931 -4.662 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.622 3.225 -6.489 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -10.661 1.555 -5.943 1.00 0.00 H -ATOM 393 HE ARG A 23 -13.220 1.989 -6.390 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -10.426 2.826 -8.416 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -11.197 2.447 -9.880 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -14.253 1.437 -8.461 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -13.385 1.644 -9.911 1.00 0.00 H -ATOM 398 N GLU A 24 -11.120 6.013 -2.945 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.947 7.453 -3.124 1.00 0.00 C -ATOM 400 C GLU A 24 -10.100 8.014 -1.994 1.00 0.00 C -ATOM 401 O GLU A 24 -9.133 8.741 -2.226 1.00 0.00 O -ATOM 402 CB GLU A 24 -12.311 8.145 -3.115 1.00 0.00 C -ATOM 403 CG GLU A 24 -13.120 7.961 -4.382 1.00 0.00 C -ATOM 404 CD GLU A 24 -14.486 8.586 -4.289 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -14.590 9.834 -4.332 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -15.483 7.846 -4.184 1.00 0.00 O -ATOM 407 H GLU A 24 -12.035 5.653 -2.928 1.00 0.00 H -ATOM 408 HA GLU A 24 -10.463 7.634 -4.071 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.877 7.703 -2.307 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -12.199 9.196 -2.900 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -12.584 8.416 -5.203 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -13.234 6.904 -4.571 1.00 0.00 H -ATOM 413 N GLN A 25 -10.429 7.610 -0.789 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.711 8.055 0.393 1.00 0.00 C -ATOM 415 C GLN A 25 -8.308 7.440 0.446 1.00 0.00 C -ATOM 416 O GLN A 25 -7.341 8.116 0.802 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.517 7.750 1.657 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.812 8.542 1.749 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.723 8.072 2.856 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -12.650 8.541 4.003 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.592 7.164 2.523 1.00 0.00 N -ATOM 422 H GLN A 25 -11.179 6.980 -0.716 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.595 9.125 0.302 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.751 6.697 1.690 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.913 8.012 2.512 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.564 9.573 1.944 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -12.336 8.467 0.807 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.560 6.882 1.579 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -14.228 6.828 3.187 1.00 0.00 H -ATOM 430 N LEU A 26 -8.199 6.174 0.057 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.908 5.482 0.024 1.00 0.00 C -ATOM 432 C LEU A 26 -5.956 6.129 -0.978 1.00 0.00 C -ATOM 433 O LEU A 26 -4.790 6.342 -0.671 1.00 0.00 O -ATOM 434 CB LEU A 26 -7.076 3.999 -0.305 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.773 3.125 0.749 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.950 1.723 0.221 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.964 3.086 2.034 1.00 0.00 C -ATOM 438 H LEU A 26 -9.011 5.691 -0.207 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.469 5.573 1.006 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.634 3.945 -1.227 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -6.092 3.592 -0.483 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.757 3.512 0.972 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -6.985 1.292 -0.002 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.547 1.751 -0.679 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.449 1.122 0.965 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -5.983 2.683 1.827 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -7.463 2.452 2.751 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -6.865 4.082 2.439 1.00 0.00 H -ATOM 449 N LYS A 27 -6.469 6.456 -2.162 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.679 7.098 -3.208 1.00 0.00 C -ATOM 451 C LYS A 27 -5.112 8.422 -2.707 1.00 0.00 C -ATOM 452 O LYS A 27 -3.947 8.748 -2.944 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.539 7.362 -4.439 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.764 7.985 -5.593 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.674 8.437 -6.722 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.480 9.667 -6.324 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.420 10.065 -7.378 1.00 0.00 N -ATOM 458 H LYS A 27 -7.410 6.235 -2.351 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.866 6.441 -3.480 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.956 6.421 -4.771 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.345 8.021 -4.155 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.247 8.846 -5.196 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -5.048 7.266 -5.965 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -6.074 8.675 -7.588 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.356 7.636 -6.963 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -8.039 9.458 -5.425 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.792 10.481 -6.140 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -7.939 10.209 -8.288 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -8.889 10.964 -7.149 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -9.153 9.344 -7.518 1.00 0.00 H -ATOM 471 N LYS A 28 -5.947 9.172 -2.019 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.551 10.446 -1.451 1.00 0.00 C -ATOM 473 C LYS A 28 -4.455 10.265 -0.414 1.00 0.00 C -ATOM 474 O LYS A 28 -3.523 11.060 -0.345 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.748 11.185 -0.879 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.775 11.522 -1.934 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.953 12.255 -1.357 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.984 12.517 -2.420 1.00 0.00 C -ATOM 479 NZ LYS A 28 -11.137 13.283 -1.914 1.00 0.00 N -ATOM 480 H LYS A 28 -6.866 8.846 -1.907 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.152 11.023 -2.272 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -7.216 10.570 -0.124 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.410 12.108 -0.432 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.313 12.141 -2.689 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -8.118 10.602 -2.386 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.393 11.656 -0.573 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.612 13.197 -0.955 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -9.511 13.077 -3.212 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.323 11.566 -2.805 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -11.580 12.811 -1.101 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -11.865 13.347 -2.655 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -10.878 14.249 -1.630 1.00 0.00 H -ATOM 493 N LYS A 29 -4.550 9.193 0.356 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.517 8.844 1.323 1.00 0.00 C -ATOM 495 C LYS A 29 -2.205 8.514 0.642 1.00 0.00 C -ATOM 496 O LYS A 29 -1.136 8.868 1.125 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.955 7.695 2.229 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.455 8.151 3.583 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.655 9.061 3.486 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.952 9.675 4.828 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.860 10.583 5.263 1.00 0.00 N -ATOM 502 H LYS A 29 -5.349 8.628 0.274 1.00 0.00 H -ATOM 503 HA LYS A 29 -3.359 9.717 1.937 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.752 7.153 1.742 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -3.118 7.030 2.380 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.738 7.286 4.163 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.658 8.674 4.087 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -5.449 9.845 2.771 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.509 8.487 3.160 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.894 10.200 4.805 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -6.001 8.848 5.524 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -3.996 10.048 5.477 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -5.121 11.126 6.110 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.622 11.263 4.506 1.00 0.00 H -ATOM 515 N LEU A 30 -2.296 7.863 -0.482 1.00 0.00 N -ATOM 516 CA LEU A 30 -1.132 7.498 -1.251 1.00 0.00 C -ATOM 517 C LEU A 30 -0.459 8.737 -1.840 1.00 0.00 C -ATOM 518 O LEU A 30 0.757 8.894 -1.748 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.521 6.518 -2.357 1.00 0.00 C -ATOM 520 CG LEU A 30 -2.168 5.211 -1.884 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.590 4.359 -3.061 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.225 4.439 -0.971 1.00 0.00 C -ATOM 523 H LEU A 30 -3.189 7.600 -0.798 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.432 7.010 -0.590 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.211 7.017 -3.021 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.630 6.270 -2.914 1.00 0.00 H -ATOM 527 HG LEU A 30 -3.058 5.452 -1.321 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -1.726 4.119 -3.661 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -3.304 4.902 -3.662 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -3.042 3.447 -2.700 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -0.303 4.234 -1.494 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -1.691 3.509 -0.682 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -1.020 5.026 -0.087 1.00 0.00 H -ATOM 534 N VAL A 31 -1.251 9.633 -2.405 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.696 10.820 -3.031 1.00 0.00 C -ATOM 536 C VAL A 31 -0.086 11.786 -1.990 1.00 0.00 C -ATOM 537 O VAL A 31 0.935 12.420 -2.261 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.713 11.544 -3.984 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -2.858 12.192 -3.235 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -1.014 12.550 -4.885 1.00 0.00 C -ATOM 541 H VAL A 31 -2.221 9.472 -2.407 1.00 0.00 H -ATOM 542 HA VAL A 31 0.132 10.462 -3.625 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.147 10.784 -4.617 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -2.476 12.982 -2.606 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -3.313 11.444 -2.605 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -3.584 12.588 -3.929 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -0.512 13.291 -4.280 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -1.758 13.034 -5.502 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -0.298 12.041 -5.512 1.00 0.00 H -ATOM 550 N GLU A 32 -0.698 11.898 -0.804 1.00 0.00 N -ATOM 551 CA GLU A 32 -0.137 12.743 0.251 1.00 0.00 C -ATOM 552 C GLU A 32 1.172 12.145 0.794 1.00 0.00 C -ATOM 553 O GLU A 32 2.192 12.842 0.918 1.00 0.00 O -ATOM 554 CB GLU A 32 -1.149 13.012 1.403 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.647 11.761 2.107 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.504 12.026 3.320 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -3.747 12.125 3.204 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -1.960 12.102 4.433 1.00 0.00 O -ATOM 559 H GLU A 32 -1.543 11.421 -0.642 1.00 0.00 H -ATOM 560 HA GLU A 32 0.110 13.682 -0.224 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.685 13.646 2.142 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -2.005 13.527 0.992 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -2.227 11.198 1.392 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.789 11.174 2.399 1.00 0.00 H -ATOM 565 N VAL A 33 1.155 10.836 1.039 1.00 0.00 N -ATOM 566 CA VAL A 33 2.267 10.140 1.655 1.00 0.00 C -ATOM 567 C VAL A 33 3.525 10.205 0.785 1.00 0.00 C -ATOM 568 O VAL A 33 4.617 10.247 1.299 1.00 0.00 O -ATOM 569 CB VAL A 33 1.923 8.672 2.074 1.00 0.00 C -ATOM 570 CG1 VAL A 33 1.944 7.689 0.912 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.799 8.212 3.222 1.00 0.00 C -ATOM 572 H VAL A 33 0.355 10.317 0.806 1.00 0.00 H -ATOM 573 HA VAL A 33 2.492 10.704 2.549 1.00 0.00 H -ATOM 574 HB VAL A 33 0.903 8.692 2.431 1.00 0.00 H -ATOM 575 HG11 VAL A 33 2.936 7.659 0.486 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.246 8.018 0.157 1.00 0.00 H -ATOM 577 HG13 VAL A 33 1.668 6.704 1.260 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.587 7.179 3.458 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.601 8.826 4.089 1.00 0.00 H -ATOM 580 HG23 VAL A 33 3.834 8.320 2.941 1.00 0.00 H -ATOM 581 N LEU A 34 3.338 10.264 -0.535 1.00 0.00 N -ATOM 582 CA LEU A 34 4.435 10.283 -1.513 1.00 0.00 C -ATOM 583 C LEU A 34 5.472 11.370 -1.282 1.00 0.00 C -ATOM 584 O LEU A 34 6.595 11.202 -1.725 1.00 0.00 O -ATOM 585 CB LEU A 34 3.930 10.376 -2.954 1.00 0.00 C -ATOM 586 CG LEU A 34 3.221 9.155 -3.522 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.774 9.439 -4.946 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.138 7.935 -3.482 1.00 0.00 C -ATOM 589 H LEU A 34 2.414 10.268 -0.864 1.00 0.00 H -ATOM 590 HA LEU A 34 4.962 9.344 -1.418 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.245 11.210 -3.008 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.776 10.598 -3.587 1.00 0.00 H -ATOM 593 HG LEU A 34 2.342 8.945 -2.930 1.00 0.00 H -ATOM 594 HD11 LEU A 34 3.640 9.664 -5.552 1.00 0.00 H -ATOM 595 HD12 LEU A 34 2.111 10.291 -4.947 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.260 8.580 -5.350 1.00 0.00 H -ATOM 597 HD21 LEU A 34 3.634 7.091 -3.925 1.00 0.00 H -ATOM 598 HD22 LEU A 34 4.384 7.698 -2.458 1.00 0.00 H -ATOM 599 HD23 LEU A 34 5.041 8.146 -4.035 1.00 0.00 H -ATOM 600 N GLU A 35 5.114 12.483 -0.629 1.00 0.00 N -ATOM 601 CA GLU A 35 6.118 13.530 -0.372 1.00 0.00 C -ATOM 602 C GLU A 35 7.230 13.018 0.569 1.00 0.00 C -ATOM 603 O GLU A 35 8.367 13.485 0.518 1.00 0.00 O -ATOM 604 CB GLU A 35 5.500 14.804 0.198 1.00 0.00 C -ATOM 605 CG GLU A 35 4.734 14.593 1.483 1.00 0.00 C -ATOM 606 CD GLU A 35 4.384 15.877 2.155 1.00 0.00 C -ATOM 607 OE1 GLU A 35 3.397 16.528 1.768 1.00 0.00 O -ATOM 608 OE2 GLU A 35 5.093 16.250 3.109 1.00 0.00 O -ATOM 609 H GLU A 35 4.187 12.600 -0.320 1.00 0.00 H -ATOM 610 HA GLU A 35 6.579 13.754 -1.324 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.292 15.510 0.394 1.00 0.00 H -ATOM 612 HB3 GLU A 35 4.830 15.229 -0.534 1.00 0.00 H -ATOM 613 HG2 GLU A 35 3.822 14.059 1.260 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.341 14.001 2.153 1.00 0.00 H -ATOM 615 N SER A 36 6.876 12.078 1.426 1.00 0.00 N -ATOM 616 CA SER A 36 7.793 11.433 2.352 1.00 0.00 C -ATOM 617 C SER A 36 7.176 10.112 2.803 1.00 0.00 C -ATOM 618 O SER A 36 6.583 10.044 3.851 1.00 0.00 O -ATOM 619 CB SER A 36 8.130 12.341 3.572 1.00 0.00 C -ATOM 620 OG SER A 36 8.738 13.584 3.181 1.00 0.00 O -ATOM 621 H SER A 36 5.946 11.760 1.426 1.00 0.00 H -ATOM 622 HA SER A 36 8.695 11.165 1.832 1.00 0.00 H -ATOM 623 HB2 SER A 36 7.212 12.568 4.090 1.00 0.00 H -ATOM 624 HB3 SER A 36 8.799 11.815 4.236 1.00 0.00 H -ATOM 625 HG SER A 36 8.983 13.472 2.250 1.00 0.00 H -ATOM 626 N PRO A 37 7.230 9.056 1.944 1.00 0.00 N -ATOM 627 CA PRO A 37 6.600 7.763 2.237 1.00 0.00 C -ATOM 628 C PRO A 37 7.472 6.838 3.064 1.00 0.00 C -ATOM 629 O PRO A 37 7.057 5.745 3.436 1.00 0.00 O -ATOM 630 CB PRO A 37 6.351 7.180 0.851 1.00 0.00 C -ATOM 631 CG PRO A 37 7.457 7.721 0.014 1.00 0.00 C -ATOM 632 CD PRO A 37 7.827 9.072 0.592 1.00 0.00 C -ATOM 633 HA PRO A 37 5.661 7.888 2.747 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.376 6.101 0.902 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.388 7.507 0.487 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.307 7.054 0.053 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.123 7.831 -1.007 1.00 0.00 H -ATOM 638 HD2 PRO A 37 8.899 9.198 0.641 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.377 9.859 0.004 1.00 0.00 H -ATOM 640 N ARG A 38 8.654 7.289 3.380 1.00 0.00 N -ATOM 641 CA ARG A 38 9.598 6.519 4.174 1.00 0.00 C -ATOM 642 C ARG A 38 9.313 6.685 5.681 1.00 0.00 C -ATOM 643 O ARG A 38 10.210 6.657 6.507 1.00 0.00 O -ATOM 644 CB ARG A 38 11.060 6.891 3.771 1.00 0.00 C -ATOM 645 CG ARG A 38 11.426 8.393 3.786 1.00 0.00 C -ATOM 646 CD ARG A 38 11.654 8.944 5.183 1.00 0.00 C -ATOM 647 NE ARG A 38 12.821 8.308 5.824 1.00 0.00 N -ATOM 648 CZ ARG A 38 13.019 8.159 7.153 1.00 0.00 C -ATOM 649 NH1 ARG A 38 12.075 8.518 8.040 1.00 0.00 N -ATOM 650 NH2 ARG A 38 14.153 7.621 7.582 1.00 0.00 N -ATOM 651 H ARG A 38 8.886 8.185 3.061 1.00 0.00 H -ATOM 652 HA ARG A 38 9.424 5.481 3.929 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.735 6.390 4.447 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.237 6.512 2.775 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.342 8.517 3.229 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.638 8.951 3.302 1.00 0.00 H -ATOM 657 HD2 ARG A 38 11.806 10.012 5.114 1.00 0.00 H -ATOM 658 HD3 ARG A 38 10.771 8.738 5.770 1.00 0.00 H -ATOM 659 HE ARG A 38 13.508 7.992 5.193 1.00 0.00 H -ATOM 660 HH11 ARG A 38 11.199 8.908 7.740 1.00 0.00 H -ATOM 661 HH12 ARG A 38 12.190 8.400 9.037 1.00 0.00 H -ATOM 662 HH21 ARG A 38 14.866 7.317 6.944 1.00 0.00 H -ATOM 663 HH22 ARG A 38 14.371 7.496 8.553 1.00 0.00 H -ATOM 664 N ILE A 39 8.047 6.679 6.024 1.00 0.00 N -ATOM 665 CA ILE A 39 7.614 6.955 7.372 1.00 0.00 C -ATOM 666 C ILE A 39 7.754 5.716 8.235 1.00 0.00 C -ATOM 667 O ILE A 39 6.938 4.794 8.202 1.00 0.00 O -ATOM 668 CB ILE A 39 6.154 7.489 7.394 1.00 0.00 C -ATOM 669 CG1 ILE A 39 6.094 8.750 6.535 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.698 7.787 8.827 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.721 9.338 6.327 1.00 0.00 C -ATOM 672 H ILE A 39 7.389 6.456 5.330 1.00 0.00 H -ATOM 673 HA ILE A 39 8.265 7.720 7.766 1.00 0.00 H -ATOM 674 HB ILE A 39 5.500 6.745 6.965 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.700 9.515 6.996 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.510 8.523 5.565 1.00 0.00 H -ATOM 677 HG21 ILE A 39 5.760 6.885 9.419 1.00 0.00 H -ATOM 678 HG22 ILE A 39 4.676 8.138 8.814 1.00 0.00 H -ATOM 679 HG23 ILE A 39 6.331 8.546 9.258 1.00 0.00 H -ATOM 680 HD11 ILE A 39 4.072 8.591 5.894 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.841 10.148 5.620 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.320 9.705 7.260 1.00 0.00 H -ATOM 683 N GLU A 40 8.824 5.739 8.993 1.00 0.00 N -ATOM 684 CA GLU A 40 9.275 4.687 9.896 1.00 0.00 C -ATOM 685 C GLU A 40 8.203 4.289 10.914 1.00 0.00 C -ATOM 686 O GLU A 40 8.150 3.141 11.363 1.00 0.00 O -ATOM 687 CB GLU A 40 10.545 5.191 10.584 1.00 0.00 C -ATOM 688 CG GLU A 40 10.360 6.550 11.257 1.00 0.00 C -ATOM 689 CD GLU A 40 11.648 7.197 11.662 1.00 0.00 C -ATOM 690 OE1 GLU A 40 12.133 6.946 12.787 1.00 0.00 O -ATOM 691 OE2 GLU A 40 12.197 7.992 10.861 1.00 0.00 O -ATOM 692 H GLU A 40 9.384 6.541 8.925 1.00 0.00 H -ATOM 693 HA GLU A 40 9.538 3.823 9.304 1.00 0.00 H -ATOM 694 HB2 GLU A 40 10.845 4.472 11.332 1.00 0.00 H -ATOM 695 HB3 GLU A 40 11.331 5.283 9.849 1.00 0.00 H -ATOM 696 HG2 GLU A 40 9.858 7.210 10.566 1.00 0.00 H -ATOM 697 HG3 GLU A 40 9.741 6.420 12.132 1.00 0.00 H -ATOM 698 N ALA A 41 7.330 5.222 11.231 1.00 0.00 N -ATOM 699 CA ALA A 41 6.239 4.992 12.168 1.00 0.00 C -ATOM 700 C ALA A 41 5.165 4.088 11.552 1.00 0.00 C -ATOM 701 O ALA A 41 4.359 3.478 12.263 1.00 0.00 O -ATOM 702 CB ALA A 41 5.634 6.316 12.595 1.00 0.00 C -ATOM 703 H ALA A 41 7.443 6.104 10.820 1.00 0.00 H -ATOM 704 HA ALA A 41 6.647 4.504 13.040 1.00 0.00 H -ATOM 705 HB1 ALA A 41 5.225 6.820 11.731 1.00 0.00 H -ATOM 706 HB2 ALA A 41 6.396 6.933 13.047 1.00 0.00 H -ATOM 707 HB3 ALA A 41 4.845 6.131 13.309 1.00 0.00 H -ATOM 708 N ASN A 42 5.168 3.994 10.232 1.00 0.00 N -ATOM 709 CA ASN A 42 4.198 3.172 9.516 1.00 0.00 C -ATOM 710 C ASN A 42 4.866 1.970 8.893 1.00 0.00 C -ATOM 711 O ASN A 42 4.205 1.169 8.233 1.00 0.00 O -ATOM 712 CB ASN A 42 3.450 3.976 8.421 1.00 0.00 C -ATOM 713 CG ASN A 42 2.531 5.058 8.968 1.00 0.00 C -ATOM 714 OD1 ASN A 42 2.006 4.946 10.075 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.316 6.107 8.200 1.00 0.00 N -ATOM 716 H ASN A 42 5.850 4.470 9.708 1.00 0.00 H -ATOM 717 HA ASN A 42 3.474 2.818 10.235 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.176 4.452 7.781 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.860 3.291 7.830 1.00 0.00 H -ATOM 720 HD21 ASN A 42 2.748 6.142 7.321 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.718 6.814 8.529 1.00 0.00 H -ATOM 722 N LYS A 43 6.168 1.829 9.105 1.00 0.00 N -ATOM 723 CA LYS A 43 6.906 0.777 8.539 1.00 0.00 C -ATOM 724 C LYS A 43 6.713 -0.491 9.345 1.00 0.00 C -ATOM 725 O LYS A 43 6.748 -0.473 10.586 1.00 0.00 O -ATOM 726 CB LYS A 43 8.372 1.164 8.474 1.00 0.00 C -ATOM 727 CG LYS A 43 9.155 0.243 7.616 1.00 0.00 C -ATOM 728 CD LYS A 43 10.582 0.724 7.372 1.00 0.00 C -ATOM 729 CE LYS A 43 11.242 -0.110 6.274 1.00 0.00 C -ATOM 730 NZ LYS A 43 12.572 0.402 5.869 1.00 0.00 N -ATOM 731 H LYS A 43 6.702 2.426 9.659 1.00 0.00 H -ATOM 732 HA LYS A 43 6.552 0.618 7.532 1.00 0.00 H -ATOM 733 HB2 LYS A 43 8.458 2.164 8.078 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.777 1.126 9.474 1.00 0.00 H -ATOM 735 HG2 LYS A 43 9.136 -0.708 8.122 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.594 0.201 6.695 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.548 1.759 7.066 1.00 0.00 H -ATOM 738 HD3 LYS A 43 11.151 0.631 8.285 1.00 0.00 H -ATOM 739 HE2 LYS A 43 11.349 -1.127 6.623 1.00 0.00 H -ATOM 740 HE3 LYS A 43 10.585 -0.093 5.418 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 12.915 -0.108 5.024 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 13.281 0.270 6.622 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.544 1.417 5.641 1.00 0.00 H -ATOM 744 N LEU A 44 6.509 -1.559 8.645 1.00 0.00 N -ATOM 745 CA LEU A 44 6.281 -2.848 9.229 1.00 0.00 C -ATOM 746 C LEU A 44 7.596 -3.481 9.581 1.00 0.00 C -ATOM 747 O LEU A 44 8.467 -3.664 8.720 1.00 0.00 O -ATOM 748 CB LEU A 44 5.531 -3.757 8.264 1.00 0.00 C -ATOM 749 CG LEU A 44 4.164 -3.288 7.794 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.534 -4.330 6.899 1.00 0.00 C -ATOM 751 CD2 LEU A 44 3.268 -2.998 8.966 1.00 0.00 C -ATOM 752 H LEU A 44 6.546 -1.472 7.665 1.00 0.00 H -ATOM 753 HA LEU A 44 5.689 -2.723 10.124 1.00 0.00 H -ATOM 754 HB2 LEU A 44 6.148 -3.866 7.385 1.00 0.00 H -ATOM 755 HB3 LEU A 44 5.416 -4.725 8.729 1.00 0.00 H -ATOM 756 HG LEU A 44 4.282 -2.381 7.220 1.00 0.00 H -ATOM 757 HD11 LEU A 44 3.441 -5.259 7.442 1.00 0.00 H -ATOM 758 HD12 LEU A 44 4.154 -4.481 6.028 1.00 0.00 H -ATOM 759 HD13 LEU A 44 2.555 -3.995 6.591 1.00 0.00 H -ATOM 760 HD21 LEU A 44 2.295 -2.731 8.582 1.00 0.00 H -ATOM 761 HD22 LEU A 44 3.673 -2.170 9.531 1.00 0.00 H -ATOM 762 HD23 LEU A 44 3.189 -3.872 9.593 1.00 0.00 H -ATOM 763 N ARG A 45 7.741 -3.815 10.817 1.00 0.00 N -ATOM 764 CA ARG A 45 8.937 -4.398 11.301 1.00 0.00 C -ATOM 765 C ARG A 45 8.845 -5.902 11.162 1.00 0.00 C -ATOM 766 O ARG A 45 7.923 -6.538 11.690 1.00 0.00 O -ATOM 767 CB ARG A 45 9.174 -3.955 12.736 1.00 0.00 C -ATOM 768 CG ARG A 45 9.326 -2.443 12.857 1.00 0.00 C -ATOM 769 CD ARG A 45 9.581 -1.996 14.280 1.00 0.00 C -ATOM 770 NE ARG A 45 9.724 -0.529 14.369 1.00 0.00 N -ATOM 771 CZ ARG A 45 10.823 0.122 14.811 1.00 0.00 C -ATOM 772 NH1 ARG A 45 11.961 -0.539 15.039 1.00 0.00 N -ATOM 773 NH2 ARG A 45 10.797 1.441 14.966 1.00 0.00 N -ATOM 774 H ARG A 45 7.001 -3.688 11.448 1.00 0.00 H -ATOM 775 HA ARG A 45 9.748 -4.043 10.682 1.00 0.00 H -ATOM 776 HB2 ARG A 45 8.336 -4.271 13.342 1.00 0.00 H -ATOM 777 HB3 ARG A 45 10.074 -4.425 13.098 1.00 0.00 H -ATOM 778 HG2 ARG A 45 10.159 -2.128 12.246 1.00 0.00 H -ATOM 779 HG3 ARG A 45 8.423 -1.972 12.496 1.00 0.00 H -ATOM 780 HD2 ARG A 45 8.739 -2.300 14.883 1.00 0.00 H -ATOM 781 HD3 ARG A 45 10.478 -2.464 14.657 1.00 0.00 H -ATOM 782 HE ARG A 45 8.914 -0.030 14.110 1.00 0.00 H -ATOM 783 HH11 ARG A 45 12.045 -1.530 14.887 1.00 0.00 H -ATOM 784 HH12 ARG A 45 12.779 -0.070 15.379 1.00 0.00 H -ATOM 785 HH21 ARG A 45 9.986 1.996 14.770 1.00 0.00 H -ATOM 786 HH22 ARG A 45 11.606 1.941 15.291 1.00 0.00 H -ATOM 787 N GLY A 46 9.758 -6.453 10.409 1.00 0.00 N -ATOM 788 CA GLY A 46 9.737 -7.860 10.121 1.00 0.00 C -ATOM 789 C GLY A 46 9.243 -8.099 8.716 1.00 0.00 C -ATOM 790 O GLY A 46 9.015 -9.232 8.305 1.00 0.00 O -ATOM 791 H GLY A 46 10.478 -5.898 10.037 1.00 0.00 H -ATOM 792 HA2 GLY A 46 10.737 -8.256 10.224 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.077 -8.359 10.814 1.00 0.00 H -ATOM 794 N MET A 47 9.064 -7.018 7.985 1.00 0.00 N -ATOM 795 CA MET A 47 8.602 -7.062 6.612 1.00 0.00 C -ATOM 796 C MET A 47 9.568 -6.281 5.740 1.00 0.00 C -ATOM 797 O MET A 47 10.033 -5.212 6.156 1.00 0.00 O -ATOM 798 CB MET A 47 7.200 -6.460 6.491 1.00 0.00 C -ATOM 799 CG MET A 47 6.092 -7.272 7.147 1.00 0.00 C -ATOM 800 SD MET A 47 5.800 -8.862 6.333 1.00 0.00 S -ATOM 801 CE MET A 47 5.195 -8.317 4.731 1.00 0.00 C -ATOM 802 H MET A 47 9.274 -6.144 8.376 1.00 0.00 H -ATOM 803 HA MET A 47 8.573 -8.100 6.317 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.223 -5.487 6.956 1.00 0.00 H -ATOM 805 HB3 MET A 47 6.965 -6.336 5.444 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.351 -7.441 8.183 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.185 -6.689 7.099 1.00 0.00 H -ATOM 808 HE1 MET A 47 5.957 -7.740 4.227 1.00 0.00 H -ATOM 809 HE2 MET A 47 4.320 -7.701 4.871 1.00 0.00 H -ATOM 810 HE3 MET A 47 4.937 -9.177 4.131 1.00 0.00 H -ATOM 811 N PRO A 48 9.899 -6.785 4.539 1.00 0.00 N -ATOM 812 CA PRO A 48 10.840 -6.119 3.636 1.00 0.00 C -ATOM 813 C PRO A 48 10.304 -4.791 3.086 1.00 0.00 C -ATOM 814 O PRO A 48 9.507 -4.775 2.135 1.00 0.00 O -ATOM 815 CB PRO A 48 11.053 -7.125 2.491 1.00 0.00 C -ATOM 816 CG PRO A 48 10.460 -8.408 2.971 1.00 0.00 C -ATOM 817 CD PRO A 48 9.398 -8.042 3.963 1.00 0.00 C -ATOM 818 HA PRO A 48 11.781 -5.933 4.134 1.00 0.00 H -ATOM 819 HB2 PRO A 48 10.542 -6.768 1.611 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.108 -7.230 2.284 1.00 0.00 H -ATOM 821 HG2 PRO A 48 10.029 -8.950 2.142 1.00 0.00 H -ATOM 822 HG3 PRO A 48 11.222 -9.007 3.448 1.00 0.00 H -ATOM 823 HD2 PRO A 48 8.442 -7.896 3.481 1.00 0.00 H -ATOM 824 HD3 PRO A 48 9.337 -8.815 4.712 1.00 0.00 H -ATOM 825 N ASP A 49 10.681 -3.706 3.760 1.00 0.00 N -ATOM 826 CA ASP A 49 10.352 -2.317 3.383 1.00 0.00 C -ATOM 827 C ASP A 49 8.879 -2.086 3.158 1.00 0.00 C -ATOM 828 O ASP A 49 8.488 -1.307 2.292 1.00 0.00 O -ATOM 829 CB ASP A 49 11.178 -1.824 2.183 1.00 0.00 C -ATOM 830 CG ASP A 49 12.609 -1.518 2.545 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.864 -0.476 3.208 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.511 -2.310 2.200 1.00 0.00 O -ATOM 833 H ASP A 49 11.210 -3.859 4.574 1.00 0.00 H -ATOM 834 HA ASP A 49 10.629 -1.718 4.237 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.181 -2.592 1.423 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.723 -0.930 1.782 1.00 0.00 H -ATOM 837 N CYS A 50 8.067 -2.696 3.977 1.00 0.00 N -ATOM 838 CA CYS A 50 6.642 -2.559 3.846 1.00 0.00 C -ATOM 839 C CYS A 50 6.136 -1.540 4.859 1.00 0.00 C -ATOM 840 O CYS A 50 6.656 -1.450 5.965 1.00 0.00 O -ATOM 841 CB CYS A 50 5.973 -3.911 4.058 1.00 0.00 C -ATOM 842 SG CYS A 50 6.601 -5.220 2.976 1.00 0.00 S -ATOM 843 H CYS A 50 8.436 -3.245 4.698 1.00 0.00 H -ATOM 844 HA CYS A 50 6.424 -2.207 2.850 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.138 -4.225 5.078 1.00 0.00 H -ATOM 846 HB3 CYS A 50 4.911 -3.813 3.883 1.00 0.00 H -ATOM 847 HG CYS A 50 7.766 -4.806 2.486 1.00 0.00 H -ATOM 848 N TYR A 51 5.175 -0.763 4.456 1.00 0.00 N -ATOM 849 CA TYR A 51 4.584 0.284 5.251 1.00 0.00 C -ATOM 850 C TYR A 51 3.083 0.133 5.137 1.00 0.00 C -ATOM 851 O TYR A 51 2.597 -0.442 4.156 1.00 0.00 O -ATOM 852 CB TYR A 51 4.984 1.676 4.710 1.00 0.00 C -ATOM 853 CG TYR A 51 6.471 2.012 4.716 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.370 1.343 3.895 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.968 3.007 5.533 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.711 1.653 3.891 1.00 0.00 C -ATOM 857 CE2 TYR A 51 8.311 3.326 5.530 1.00 0.00 C -ATOM 858 CZ TYR A 51 9.175 2.645 4.707 1.00 0.00 C -ATOM 859 OH TYR A 51 10.520 2.959 4.710 1.00 0.00 O -ATOM 860 H TYR A 51 4.805 -0.887 3.553 1.00 0.00 H -ATOM 861 HA TYR A 51 4.896 0.184 6.279 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.650 1.750 3.685 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.467 2.426 5.290 1.00 0.00 H -ATOM 864 HD1 TYR A 51 7.002 0.558 3.250 1.00 0.00 H -ATOM 865 HD2 TYR A 51 6.291 3.543 6.181 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.389 1.116 3.244 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.678 4.109 6.178 1.00 0.00 H -ATOM 868 HH TYR A 51 10.837 2.910 3.797 1.00 0.00 H -ATOM 869 N LYS A 52 2.354 0.626 6.095 1.00 0.00 N -ATOM 870 CA LYS A 52 0.914 0.491 6.070 1.00 0.00 C -ATOM 871 C LYS A 52 0.206 1.794 6.385 1.00 0.00 C -ATOM 872 O LYS A 52 0.645 2.575 7.247 1.00 0.00 O -ATOM 873 CB LYS A 52 0.446 -0.565 7.078 1.00 0.00 C -ATOM 874 CG LYS A 52 0.884 -0.271 8.506 1.00 0.00 C -ATOM 875 CD LYS A 52 0.176 -1.143 9.513 1.00 0.00 C -ATOM 876 CE LYS A 52 0.755 -0.930 10.896 1.00 0.00 C -ATOM 877 NZ LYS A 52 0.019 -1.672 11.927 1.00 0.00 N -ATOM 878 H LYS A 52 2.786 1.096 6.842 1.00 0.00 H -ATOM 879 HA LYS A 52 0.622 0.158 5.085 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.632 -0.617 7.055 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.849 -1.524 6.791 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.948 -0.441 8.588 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.673 0.766 8.722 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -0.873 -0.887 9.527 1.00 0.00 H -ATOM 885 HD3 LYS A 52 0.295 -2.179 9.235 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.778 -1.275 10.890 1.00 0.00 H -ATOM 887 HE3 LYS A 52 0.739 0.124 11.129 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 -0.092 -2.679 11.683 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 -0.925 -1.271 12.086 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 0.537 -1.620 12.829 1.00 0.00 H -ATOM 891 N ILE A 53 -0.876 2.021 5.701 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.770 3.093 6.017 1.00 0.00 C -ATOM 893 C ILE A 53 -3.103 2.475 6.303 1.00 0.00 C -ATOM 894 O ILE A 53 -3.631 1.703 5.486 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.957 4.153 4.886 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.621 4.845 4.564 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -3.030 5.194 5.315 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.704 5.869 3.446 1.00 0.00 C -ATOM 899 H ILE A 53 -1.105 1.421 4.955 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.404 3.576 6.910 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.324 3.641 4.008 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.267 5.357 5.447 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.105 4.097 4.281 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -3.212 5.918 4.533 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.700 5.716 6.201 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.955 4.688 5.560 1.00 0.00 H -ATOM 907 HD11 ILE A 53 -1.059 5.392 2.545 1.00 0.00 H -ATOM 908 HD12 ILE A 53 0.276 6.287 3.265 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -1.387 6.656 3.731 1.00 0.00 H -ATOM 910 N LYS A 54 -3.617 2.724 7.450 1.00 0.00 N -ATOM 911 CA LYS A 54 -4.914 2.271 7.746 1.00 0.00 C -ATOM 912 C LYS A 54 -5.884 3.425 7.647 1.00 0.00 C -ATOM 913 O LYS A 54 -5.650 4.498 8.196 1.00 0.00 O -ATOM 914 CB LYS A 54 -4.968 1.450 9.060 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.410 2.094 10.341 1.00 0.00 C -ATOM 916 CD LYS A 54 -5.311 3.159 10.930 1.00 0.00 C -ATOM 917 CE LYS A 54 -6.726 2.651 11.063 1.00 0.00 C -ATOM 918 NZ LYS A 54 -7.539 3.463 11.973 1.00 0.00 N -ATOM 919 H LYS A 54 -3.106 3.240 8.112 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.162 1.618 6.919 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.992 1.171 9.256 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.412 0.541 8.892 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.271 1.326 11.087 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -3.453 2.534 10.112 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -4.935 3.437 11.902 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -5.298 4.007 10.260 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -7.150 2.720 10.071 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -6.702 1.620 11.383 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -7.634 4.455 11.689 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -7.130 3.445 12.929 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -8.490 3.054 12.068 1.00 0.00 H -ATOM 932 N LEU A 55 -6.932 3.217 6.904 1.00 0.00 N -ATOM 933 CA LEU A 55 -7.886 4.248 6.592 1.00 0.00 C -ATOM 934 C LEU A 55 -8.779 4.500 7.803 1.00 0.00 C -ATOM 935 O LEU A 55 -9.687 3.710 8.098 1.00 0.00 O -ATOM 936 CB LEU A 55 -8.689 3.827 5.336 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.368 4.936 4.499 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -10.547 5.551 5.208 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -8.355 6.011 4.143 1.00 0.00 C -ATOM 940 H LEU A 55 -7.077 2.307 6.556 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.331 5.146 6.369 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.017 3.290 4.685 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.454 3.137 5.660 1.00 0.00 H -ATOM 944 HG LEU A 55 -9.726 4.508 3.573 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -10.214 5.995 6.133 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -11.283 4.789 5.420 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -10.989 6.315 4.583 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -7.504 5.559 3.657 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -8.040 6.527 5.037 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -8.815 6.715 3.468 1.00 0.00 H -ATOM 951 N ARG A 56 -8.492 5.590 8.495 1.00 0.00 N -ATOM 952 CA ARG A 56 -9.153 5.977 9.744 1.00 0.00 C -ATOM 953 C ARG A 56 -10.678 6.106 9.637 1.00 0.00 C -ATOM 954 O ARG A 56 -11.405 5.675 10.527 1.00 0.00 O -ATOM 955 CB ARG A 56 -8.531 7.269 10.306 1.00 0.00 C -ATOM 956 CG ARG A 56 -8.521 8.447 9.328 1.00 0.00 C -ATOM 957 CD ARG A 56 -7.954 9.706 9.960 1.00 0.00 C -ATOM 958 NE ARG A 56 -6.609 9.514 10.537 1.00 0.00 N -ATOM 959 CZ ARG A 56 -5.884 10.483 11.126 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -6.278 11.755 11.063 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -4.755 10.174 11.751 1.00 0.00 N -ATOM 962 H ARG A 56 -7.779 6.167 8.139 1.00 0.00 H -ATOM 963 HA ARG A 56 -8.947 5.187 10.452 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -9.084 7.567 11.183 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -7.511 7.063 10.593 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -7.934 8.191 8.460 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -9.539 8.638 9.019 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -7.897 10.474 9.202 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -8.627 10.024 10.741 1.00 0.00 H -ATOM 970 HE ARG A 56 -6.261 8.593 10.515 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -7.114 12.021 10.577 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -5.760 12.504 11.484 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -4.411 9.233 11.801 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -4.201 10.874 12.210 1.00 0.00 H -ATOM 975 N SER A 57 -11.155 6.642 8.552 1.00 0.00 N -ATOM 976 CA SER A 57 -12.560 6.889 8.373 1.00 0.00 C -ATOM 977 C SER A 57 -13.337 5.690 7.764 1.00 0.00 C -ATOM 978 O SER A 57 -14.449 5.866 7.260 1.00 0.00 O -ATOM 979 CB SER A 57 -12.698 8.159 7.541 1.00 0.00 C -ATOM 980 OG SER A 57 -11.663 8.209 6.567 1.00 0.00 O -ATOM 981 H SER A 57 -10.579 6.932 7.811 1.00 0.00 H -ATOM 982 HA SER A 57 -12.974 7.095 9.347 1.00 0.00 H -ATOM 983 HB2 SER A 57 -13.654 8.158 7.040 1.00 0.00 H -ATOM 984 HB3 SER A 57 -12.619 9.026 8.181 1.00 0.00 H -ATOM 985 HG SER A 57 -12.057 8.353 5.693 1.00 0.00 H -ATOM 986 N SER A 58 -12.786 4.476 7.855 1.00 0.00 N -ATOM 987 CA SER A 58 -13.494 3.307 7.341 1.00 0.00 C -ATOM 988 C SER A 58 -13.028 2.012 8.030 1.00 0.00 C -ATOM 989 O SER A 58 -13.848 1.196 8.471 1.00 0.00 O -ATOM 990 CB SER A 58 -13.348 3.199 5.811 1.00 0.00 C -ATOM 991 OG SER A 58 -14.167 2.169 5.278 1.00 0.00 O -ATOM 992 H SER A 58 -11.914 4.380 8.291 1.00 0.00 H -ATOM 993 HA SER A 58 -14.540 3.446 7.577 1.00 0.00 H -ATOM 994 HB2 SER A 58 -13.626 4.136 5.353 1.00 0.00 H -ATOM 995 HB3 SER A 58 -12.319 2.975 5.572 1.00 0.00 H -ATOM 996 HG SER A 58 -14.741 2.569 4.613 1.00 0.00 H -ATOM 997 N GLY A 59 -11.732 1.839 8.171 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.234 0.620 8.762 1.00 0.00 C -ATOM 999 C GLY A 59 -10.573 -0.286 7.743 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.469 -1.499 7.942 1.00 0.00 O -ATOM 1001 H GLY A 59 -11.099 2.544 7.915 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.513 0.870 9.525 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -12.059 0.090 9.217 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.135 0.279 6.655 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.422 -0.486 5.658 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.939 -0.345 5.871 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.483 0.628 6.459 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.814 -0.086 4.238 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.122 -0.686 3.744 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.340 -0.361 4.325 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.129 -1.558 2.660 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.526 -0.888 3.842 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.307 -2.091 2.175 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.502 -1.752 2.767 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.682 -2.268 2.273 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.265 1.238 6.515 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.683 -1.524 5.816 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -9.912 0.988 4.194 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.030 -0.392 3.562 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.353 0.314 5.168 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.191 -1.823 2.195 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.464 -0.623 4.305 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.287 -2.768 1.334 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.354 -1.577 2.308 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.209 -1.316 5.440 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.781 -1.344 5.582 1.00 0.00 C -ATOM 1027 C ARG A 61 -5.154 -1.486 4.216 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.630 -2.273 3.385 1.00 0.00 O -ATOM 1029 CB ARG A 61 -5.315 -2.516 6.478 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.496 -2.354 7.998 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.951 -2.317 8.475 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.996 -2.237 9.941 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -8.082 -2.288 10.737 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -9.308 -2.269 10.234 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.924 -2.301 12.047 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.628 -2.058 4.948 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.463 -0.414 6.026 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.863 -3.399 6.185 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -4.268 -2.688 6.279 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -5.012 -3.186 8.486 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -5.003 -1.443 8.301 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -7.443 -1.452 8.052 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -7.453 -3.220 8.158 1.00 0.00 H -ATOM 1044 HE ARG A 61 -6.102 -2.167 10.348 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -9.512 -2.208 9.252 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -10.123 -2.323 10.822 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -7.019 -2.273 12.480 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -8.698 -2.359 12.687 1.00 0.00 H -ATOM 1049 N LEU A 62 -4.138 -0.720 3.972 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.411 -0.796 2.742 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.930 -0.904 3.090 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.397 -0.072 3.838 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.743 0.454 1.871 1.00 0.00 C -ATOM 1054 CG LEU A 62 -3.187 0.515 0.429 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.911 1.583 -0.365 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.710 0.841 0.422 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.839 -0.054 4.630 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.727 -1.691 2.227 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.819 0.528 1.806 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.388 1.324 2.403 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.334 -0.440 -0.054 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.496 1.624 -1.362 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.789 2.542 0.117 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -4.961 1.339 -0.425 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.566 1.793 0.912 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.362 0.903 -0.596 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.165 0.074 0.952 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.287 -1.931 2.581 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.112 -2.190 2.849 1.00 0.00 C -ATOM 1070 C VAL A 63 0.894 -2.104 1.544 1.00 0.00 C -ATOM 1071 O VAL A 63 0.534 -2.744 0.540 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.321 -3.597 3.492 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.787 -3.838 3.827 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.538 -3.764 4.742 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.757 -2.545 1.971 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.472 -1.432 3.530 1.00 0.00 H -ATOM 1077 HB VAL A 63 0.017 -4.338 2.768 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.384 -3.756 2.930 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 1.901 -4.826 4.249 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 2.117 -3.107 4.550 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.376 -4.742 5.167 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -1.580 -3.655 4.479 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -0.271 -3.008 5.466 1.00 0.00 H -ATOM 1084 N TYR A 64 1.939 -1.328 1.546 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.740 -1.124 0.370 1.00 0.00 C -ATOM 1086 C TYR A 64 4.210 -1.246 0.696 1.00 0.00 C -ATOM 1087 O TYR A 64 4.595 -1.112 1.836 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.425 0.241 -0.288 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.545 1.471 0.612 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 3.772 1.937 1.057 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.419 2.184 0.973 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 3.868 3.069 1.833 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.504 3.314 1.753 1.00 0.00 C -ATOM 1094 CZ TYR A 64 2.736 3.752 2.181 1.00 0.00 C -ATOM 1095 OH TYR A 64 2.836 4.879 2.955 1.00 0.00 O -ATOM 1096 H TYR A 64 2.206 -0.893 2.389 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.485 -1.906 -0.329 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.085 0.397 -1.128 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.410 0.210 -0.655 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.666 1.394 0.786 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.456 1.837 0.635 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 4.835 3.413 2.165 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.603 3.846 2.018 1.00 0.00 H -ATOM 1104 HH TYR A 64 3.555 5.418 2.616 1.00 0.00 H -ATOM 1105 N GLN A 65 5.010 -1.519 -0.286 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.432 -1.584 -0.095 1.00 0.00 C -ATOM 1107 C GLN A 65 7.053 -0.338 -0.696 1.00 0.00 C -ATOM 1108 O GLN A 65 6.633 0.118 -1.766 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.027 -2.847 -0.745 1.00 0.00 C -ATOM 1110 CG GLN A 65 6.999 -2.844 -2.267 1.00 0.00 C -ATOM 1111 CD GLN A 65 7.537 -4.108 -2.876 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 6.795 -5.036 -3.169 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 8.824 -4.176 -3.025 1.00 0.00 N -ATOM 1114 H GLN A 65 4.641 -1.674 -1.184 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.632 -1.595 0.965 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.055 -2.944 -0.429 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.475 -3.705 -0.394 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 5.973 -2.720 -2.582 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.584 -2.007 -2.619 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.368 -3.414 -2.736 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.218 -4.988 -3.410 1.00 0.00 H -ATOM 1122 N VAL A 66 7.997 0.229 -0.022 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.672 1.390 -0.538 1.00 0.00 C -ATOM 1124 C VAL A 66 10.070 0.999 -0.942 1.00 0.00 C -ATOM 1125 O VAL A 66 10.904 0.673 -0.092 1.00 0.00 O -ATOM 1126 CB VAL A 66 8.723 2.555 0.503 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.537 3.733 -0.013 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.323 3.020 0.866 1.00 0.00 C -ATOM 1129 H VAL A 66 8.266 -0.159 0.843 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.136 1.723 -1.415 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.199 2.186 1.399 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 9.107 4.106 -0.930 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 10.551 3.412 -0.198 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.541 4.517 0.730 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.388 3.828 1.580 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 6.779 2.198 1.309 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 6.802 3.360 -0.016 1.00 0.00 H -ATOM 1138 N ILE A 67 10.327 1.008 -2.220 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.631 0.701 -2.707 1.00 0.00 C -ATOM 1140 C ILE A 67 12.328 2.012 -2.948 1.00 0.00 C -ATOM 1141 O ILE A 67 12.062 2.692 -3.937 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.607 -0.106 -4.027 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.651 -1.299 -3.919 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 13.020 -0.602 -4.343 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 10.500 -2.078 -5.213 1.00 0.00 C -ATOM 1146 H ILE A 67 9.626 1.244 -2.869 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.158 0.144 -1.946 1.00 0.00 H -ATOM 1148 HB ILE A 67 11.282 0.546 -4.823 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 11.015 -1.980 -3.165 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.675 -0.939 -3.628 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 13.012 -1.151 -5.272 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 13.357 -1.253 -3.549 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.692 0.240 -4.425 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 10.152 -1.405 -5.984 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.779 -2.869 -5.074 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 11.453 -2.497 -5.502 1.00 0.00 H -ATOM 1157 N ASP A 68 13.178 2.371 -2.041 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.902 3.629 -2.083 1.00 0.00 C -ATOM 1159 C ASP A 68 14.896 3.660 -3.221 1.00 0.00 C -ATOM 1160 O ASP A 68 15.056 4.682 -3.884 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.593 3.886 -0.744 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.462 5.118 -0.753 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 14.944 6.234 -0.563 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 16.691 4.986 -0.933 1.00 0.00 O -ATOM 1165 H ASP A 68 13.347 1.749 -1.300 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.195 4.423 -2.262 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 13.843 4.009 0.023 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.208 3.032 -0.501 1.00 0.00 H -ATOM 1169 N GLU A 69 15.508 2.525 -3.486 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.491 2.403 -4.556 1.00 0.00 C -ATOM 1171 C GLU A 69 15.869 2.680 -5.915 1.00 0.00 C -ATOM 1172 O GLU A 69 16.458 3.356 -6.757 1.00 0.00 O -ATOM 1173 CB GLU A 69 17.076 1.010 -4.564 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.873 0.653 -3.338 1.00 0.00 C -ATOM 1175 CD GLU A 69 18.317 -0.772 -3.380 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 19.181 -1.116 -4.207 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 17.786 -1.584 -2.632 1.00 0.00 O -ATOM 1178 H GLU A 69 15.301 1.750 -2.918 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.286 3.110 -4.373 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 16.266 0.301 -4.653 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.716 0.912 -5.428 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 18.743 1.291 -3.286 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 17.264 0.804 -2.459 1.00 0.00 H -ATOM 1184 N LYS A 70 14.670 2.192 -6.110 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.986 2.347 -7.380 1.00 0.00 C -ATOM 1186 C LYS A 70 13.063 3.558 -7.346 1.00 0.00 C -ATOM 1187 O LYS A 70 12.480 3.929 -8.365 1.00 0.00 O -ATOM 1188 CB LYS A 70 13.197 1.078 -7.721 1.00 0.00 C -ATOM 1189 CG LYS A 70 14.053 -0.169 -7.893 1.00 0.00 C -ATOM 1190 CD LYS A 70 13.190 -1.393 -8.174 1.00 0.00 C -ATOM 1191 CE LYS A 70 14.036 -2.646 -8.346 1.00 0.00 C -ATOM 1192 NZ LYS A 70 13.213 -3.862 -8.545 1.00 0.00 N -ATOM 1193 H LYS A 70 14.230 1.723 -5.373 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.734 2.507 -8.141 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.506 0.884 -6.915 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.644 1.241 -8.634 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.732 -0.017 -8.719 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.617 -0.335 -6.988 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 12.508 -1.542 -7.351 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.629 -1.219 -9.079 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 14.665 -2.512 -9.215 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 14.663 -2.773 -7.478 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 13.831 -4.687 -8.661 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 12.645 -3.791 -9.412 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 12.570 -4.054 -7.751 1.00 0.00 H -ATOM 1206 N VAL A 71 12.950 4.165 -6.157 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.118 5.356 -5.915 1.00 0.00 C -ATOM 1208 C VAL A 71 10.641 5.046 -6.280 1.00 0.00 C -ATOM 1209 O VAL A 71 9.898 5.882 -6.759 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.687 6.606 -6.705 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 11.960 7.906 -6.356 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.176 6.770 -6.435 1.00 0.00 C -ATOM 1213 H VAL A 71 13.452 3.799 -5.399 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.162 5.553 -4.854 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.558 6.420 -7.761 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 10.925 7.812 -6.649 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.412 8.732 -6.886 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.017 8.079 -5.292 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.698 5.885 -6.769 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.335 6.906 -5.376 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.546 7.634 -6.966 1.00 0.00 H -ATOM 1222 N VAL A 72 10.213 3.846 -5.980 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.869 3.433 -6.319 1.00 0.00 C -ATOM 1224 C VAL A 72 8.238 2.649 -5.178 1.00 0.00 C -ATOM 1225 O VAL A 72 8.908 1.874 -4.478 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.815 2.631 -7.667 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.647 1.375 -7.606 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.380 2.312 -8.086 1.00 0.00 C -ATOM 1229 H VAL A 72 10.794 3.233 -5.481 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.288 4.338 -6.437 1.00 0.00 H -ATOM 1231 HB VAL A 72 9.258 3.253 -8.431 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 9.279 0.739 -6.816 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 10.673 1.645 -7.413 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 9.575 0.860 -8.553 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.909 1.714 -7.320 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 7.391 1.760 -9.014 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.823 3.228 -8.218 1.00 0.00 H -ATOM 1238 N VAL A 73 6.992 2.907 -4.967 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.202 2.291 -3.956 1.00 0.00 C -ATOM 1240 C VAL A 73 5.207 1.342 -4.620 1.00 0.00 C -ATOM 1241 O VAL A 73 4.461 1.752 -5.504 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.420 3.376 -3.171 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.582 2.772 -2.076 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.355 4.438 -2.611 1.00 0.00 C -ATOM 1245 H VAL A 73 6.538 3.572 -5.532 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.839 1.752 -3.270 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.751 3.859 -3.869 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 3.868 2.089 -2.511 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 4.054 3.553 -1.549 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 5.219 2.234 -1.389 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 5.793 5.151 -2.026 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 6.834 4.952 -3.433 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 7.111 3.972 -1.998 1.00 0.00 H -ATOM 1254 N PHE A 74 5.211 0.096 -4.214 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.286 -0.889 -4.755 1.00 0.00 C -ATOM 1256 C PHE A 74 3.326 -1.351 -3.687 1.00 0.00 C -ATOM 1257 O PHE A 74 3.745 -1.920 -2.686 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.007 -2.118 -5.335 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.771 -1.888 -6.599 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 5.110 -1.787 -7.807 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 7.149 -1.807 -6.589 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 5.807 -1.605 -8.981 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 7.852 -1.622 -7.760 1.00 0.00 C -ATOM 1264 CZ PHE A 74 7.182 -1.522 -8.957 1.00 0.00 C -ATOM 1265 H PHE A 74 5.834 -0.155 -3.497 1.00 0.00 H -ATOM 1266 HA PHE A 74 3.725 -0.411 -5.546 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 5.715 -2.480 -4.605 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 4.282 -2.897 -5.521 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 4.031 -1.847 -7.826 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 7.679 -1.885 -5.650 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 5.275 -1.528 -9.917 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 8.930 -1.558 -7.742 1.00 0.00 H -ATOM 1273 HZ PHE A 74 7.732 -1.381 -9.875 1.00 0.00 H -ATOM 1274 N VAL A 75 2.061 -1.089 -3.884 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.023 -1.556 -2.970 1.00 0.00 C -ATOM 1276 C VAL A 75 0.922 -3.063 -3.095 1.00 0.00 C -ATOM 1277 O VAL A 75 0.681 -3.552 -4.178 1.00 0.00 O -ATOM 1278 CB VAL A 75 -0.350 -0.914 -3.307 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.451 -1.435 -2.389 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 -0.261 0.607 -3.239 1.00 0.00 C -ATOM 1281 H VAL A 75 1.823 -0.564 -4.681 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.308 -1.301 -1.962 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.608 -1.192 -4.318 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.547 -2.503 -2.519 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -2.387 -0.955 -2.638 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -1.200 -1.222 -1.361 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 -1.227 1.035 -3.456 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 0.454 0.951 -3.971 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.061 0.913 -2.254 1.00 0.00 H -ATOM 1290 N ILE A 76 1.113 -3.784 -2.002 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.121 -5.242 -2.055 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.245 -5.799 -1.688 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.762 -6.706 -2.351 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.159 -5.851 -1.066 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.566 -5.301 -1.317 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.171 -7.381 -1.173 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.602 -5.838 -0.344 1.00 0.00 C -ATOM 1298 H ILE A 76 1.216 -3.334 -1.134 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.380 -5.550 -3.057 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.853 -5.594 -0.062 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 3.881 -5.566 -2.315 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.547 -4.224 -1.224 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 2.888 -7.783 -0.472 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 2.453 -7.661 -2.175 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 1.187 -7.765 -0.951 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 4.594 -6.917 -0.390 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.355 -5.525 0.660 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 5.582 -5.479 -0.616 1.00 0.00 H -ATOM 1309 N SER A 77 -0.842 -5.247 -0.672 1.00 0.00 N -ATOM 1310 CA SER A 77 -2.094 -5.744 -0.198 1.00 0.00 C -ATOM 1311 C SER A 77 -3.001 -4.597 0.218 1.00 0.00 C -ATOM 1312 O SER A 77 -2.534 -3.570 0.722 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.850 -6.748 0.952 1.00 0.00 C -ATOM 1314 OG SER A 77 -1.045 -6.184 1.982 1.00 0.00 O -ATOM 1315 H SER A 77 -0.451 -4.480 -0.198 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.563 -6.270 -1.015 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -2.790 -7.056 1.383 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -1.330 -7.609 0.556 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.955 -6.822 2.700 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.276 -4.749 -0.035 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.247 -3.756 0.318 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.572 -4.449 0.625 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.907 -5.474 0.003 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.407 -2.669 -0.809 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.849 -3.274 -2.134 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.353 -1.555 -0.384 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.618 -5.559 -0.469 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.900 -3.278 1.222 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.431 -2.237 -0.974 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -5.944 -2.492 -2.874 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -6.803 -3.762 -2.004 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -5.116 -3.996 -2.462 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.968 -1.070 0.501 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -7.326 -1.973 -0.169 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.442 -0.832 -1.183 1.00 0.00 H -ATOM 1336 N GLY A 79 -7.266 -3.957 1.619 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.546 -4.504 1.982 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.802 -4.330 3.451 1.00 0.00 C -ATOM 1339 O GLY A 79 -8.466 -3.296 4.017 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.887 -3.215 2.145 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -9.315 -3.989 1.425 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.578 -5.555 1.737 1.00 0.00 H -ATOM 1343 N LYS A 80 -9.374 -5.314 4.078 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.655 -5.251 5.493 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.872 -6.316 6.223 1.00 0.00 C -ATOM 1346 O LYS A 80 -8.492 -7.330 5.636 1.00 0.00 O -ATOM 1347 CB LYS A 80 -11.154 -5.421 5.782 1.00 0.00 C -ATOM 1348 CG LYS A 80 -12.040 -4.330 5.191 1.00 0.00 C -ATOM 1349 CD LYS A 80 -13.518 -4.553 5.511 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.801 -4.480 7.006 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -15.230 -4.699 7.318 1.00 0.00 N -ATOM 1352 H LYS A 80 -9.601 -6.135 3.590 1.00 0.00 H -ATOM 1353 HA LYS A 80 -9.338 -4.282 5.849 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -11.477 -6.371 5.384 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -11.287 -5.428 6.854 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.736 -3.376 5.596 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.911 -4.318 4.119 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -14.099 -3.789 5.017 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.816 -5.525 5.144 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -13.224 -5.242 7.508 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -13.504 -3.507 7.367 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -15.396 -4.646 8.342 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -15.510 -5.655 7.027 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -15.855 -4.017 6.842 1.00 0.00 H -ATOM 1365 N ALA A 81 -8.630 -6.081 7.482 1.00 0.00 N -ATOM 1366 CA ALA A 81 -7.922 -7.007 8.314 1.00 0.00 C -ATOM 1367 C ALA A 81 -8.713 -7.198 9.578 1.00 0.00 C -ATOM 1368 O ALA A 81 -9.099 -6.212 10.223 1.00 0.00 O -ATOM 1369 CB ALA A 81 -6.535 -6.473 8.643 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.965 -5.264 7.904 1.00 0.00 H -ATOM 1371 HA ALA A 81 -7.821 -7.939 7.776 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -6.015 -7.182 9.271 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -6.630 -5.534 9.169 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -5.978 -6.321 7.731 1.00 0.00 H -ATOM 1375 N GLU A 82 -8.961 -8.418 9.928 1.00 0.00 N -ATOM 1376 CA GLU A 82 -9.710 -8.739 11.115 1.00 0.00 C -ATOM 1377 C GLU A 82 -8.735 -8.978 12.243 1.00 0.00 C -ATOM 1378 O GLU A 82 -8.969 -8.578 13.391 1.00 0.00 O -ATOM 1379 CB GLU A 82 -10.568 -9.982 10.883 1.00 0.00 C -ATOM 1380 CG GLU A 82 -11.572 -9.841 9.747 1.00 0.00 C -ATOM 1381 CD GLU A 82 -12.579 -8.740 9.979 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -13.544 -8.948 10.734 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -12.433 -7.648 9.401 1.00 0.00 O -ATOM 1384 H GLU A 82 -8.587 -9.163 9.399 1.00 0.00 H -ATOM 1385 HA GLU A 82 -10.345 -7.902 11.360 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -9.918 -10.815 10.659 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -11.115 -10.199 11.789 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -11.032 -9.619 8.839 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -12.100 -10.775 9.627 1.00 0.00 H -ATOM 1390 N ALA A 83 -7.639 -9.606 11.906 1.00 0.00 N -ATOM 1391 CA ALA A 83 -6.595 -9.881 12.841 1.00 0.00 C -ATOM 1392 C ALA A 83 -5.249 -9.445 12.271 1.00 0.00 C -ATOM 1393 O ALA A 83 -4.619 -8.511 12.797 1.00 0.00 O -ATOM 1394 CB ALA A 83 -6.580 -11.358 13.206 1.00 0.00 C -ATOM 1395 H ALA A 83 -7.531 -9.908 10.971 1.00 0.00 H -ATOM 1396 HA ALA A 83 -6.798 -9.310 13.735 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -7.541 -11.638 13.612 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -5.811 -11.539 13.941 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -6.378 -11.944 12.321 1.00 0.00 H -ATOM 1400 N SER A 84 -4.827 -10.068 11.170 1.00 0.00 N -ATOM 1401 CA SER A 84 -3.515 -9.769 10.597 1.00 0.00 C -ATOM 1402 C SER A 84 -3.434 -10.242 9.120 1.00 0.00 C -ATOM 1403 O SER A 84 -2.339 -10.387 8.554 1.00 0.00 O -ATOM 1404 CB SER A 84 -2.439 -10.478 11.456 1.00 0.00 C -ATOM 1405 OG SER A 84 -1.123 -10.071 11.121 1.00 0.00 O -ATOM 1406 H SER A 84 -5.406 -10.749 10.756 1.00 0.00 H -ATOM 1407 HA SER A 84 -3.357 -8.702 10.653 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -2.614 -10.267 12.500 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -2.522 -11.543 11.296 1.00 0.00 H -ATOM 1410 HG SER A 84 -0.909 -10.432 10.253 1.00 0.00 H -ATOM 1411 N GLU A 85 -4.589 -10.372 8.487 1.00 0.00 N -ATOM 1412 CA GLU A 85 -4.732 -10.941 7.140 1.00 0.00 C -ATOM 1413 C GLU A 85 -3.922 -10.182 6.094 1.00 0.00 C -ATOM 1414 O GLU A 85 -3.210 -10.786 5.301 1.00 0.00 O -ATOM 1415 CB GLU A 85 -6.219 -10.974 6.720 1.00 0.00 C -ATOM 1416 CG GLU A 85 -7.137 -11.881 7.561 1.00 0.00 C -ATOM 1417 CD GLU A 85 -7.131 -11.524 9.022 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -7.221 -10.324 9.346 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -6.904 -12.400 9.854 1.00 0.00 O -ATOM 1420 H GLU A 85 -5.429 -10.103 8.926 1.00 0.00 H -ATOM 1421 HA GLU A 85 -4.376 -11.960 7.177 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -6.612 -9.970 6.776 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -6.265 -11.301 5.694 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -8.148 -11.795 7.192 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -6.804 -12.902 7.452 1.00 0.00 H -ATOM 1426 N VAL A 86 -3.993 -8.858 6.126 1.00 0.00 N -ATOM 1427 CA VAL A 86 -3.300 -8.023 5.136 1.00 0.00 C -ATOM 1428 C VAL A 86 -1.770 -8.155 5.217 1.00 0.00 C -ATOM 1429 O VAL A 86 -1.070 -7.972 4.218 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.721 -6.526 5.219 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -5.202 -6.365 4.909 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -3.387 -5.925 6.582 1.00 0.00 C -ATOM 1433 H VAL A 86 -4.534 -8.439 6.826 1.00 0.00 H -ATOM 1434 HA VAL A 86 -3.598 -8.403 4.169 1.00 0.00 H -ATOM 1435 HB VAL A 86 -3.176 -5.985 4.462 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -5.473 -5.322 4.985 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -5.784 -6.944 5.609 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -5.400 -6.712 3.906 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -2.320 -5.961 6.740 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -3.876 -6.497 7.356 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -3.723 -4.899 6.619 1.00 0.00 H -ATOM 1442 N TYR A 87 -1.272 -8.519 6.390 1.00 0.00 N -ATOM 1443 CA TYR A 87 0.157 -8.685 6.603 1.00 0.00 C -ATOM 1444 C TYR A 87 0.570 -10.034 6.051 1.00 0.00 C -ATOM 1445 O TYR A 87 1.567 -10.157 5.335 1.00 0.00 O -ATOM 1446 CB TYR A 87 0.495 -8.626 8.098 1.00 0.00 C -ATOM 1447 CG TYR A 87 0.046 -7.365 8.804 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 -1.227 -7.270 9.345 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 0.892 -6.280 8.939 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 -1.646 -6.134 9.996 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 0.481 -5.138 9.592 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -0.787 -5.070 10.118 1.00 0.00 C -ATOM 1453 OH TYR A 87 -1.199 -3.932 10.774 1.00 0.00 O -ATOM 1454 H TYR A 87 -1.886 -8.707 7.129 1.00 0.00 H -ATOM 1455 HA TYR A 87 0.683 -7.901 6.078 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 0.021 -9.460 8.595 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 1.566 -8.713 8.217 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 -1.897 -8.111 9.244 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 1.888 -6.336 8.526 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 -2.643 -6.086 10.408 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 1.154 -4.299 9.689 1.00 0.00 H -ATOM 1462 HH TYR A 87 -1.659 -4.223 11.571 1.00 0.00 H -ATOM 1463 N SER A 88 -0.233 -11.032 6.367 1.00 0.00 N -ATOM 1464 CA SER A 88 -0.020 -12.378 5.921 1.00 0.00 C -ATOM 1465 C SER A 88 -0.100 -12.465 4.404 1.00 0.00 C -ATOM 1466 O SER A 88 0.748 -13.086 3.779 1.00 0.00 O -ATOM 1467 CB SER A 88 -1.024 -13.290 6.607 1.00 0.00 C -ATOM 1468 OG SER A 88 -0.926 -13.129 8.022 1.00 0.00 O -ATOM 1469 H SER A 88 -1.009 -10.878 6.948 1.00 0.00 H -ATOM 1470 HA SER A 88 0.975 -12.690 6.194 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -2.021 -13.026 6.289 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -0.823 -14.322 6.357 1.00 0.00 H -ATOM 1473 HG SER A 88 -1.192 -13.964 8.428 1.00 0.00 H -ATOM 1474 N GLU A 89 -1.075 -11.798 3.813 1.00 0.00 N -ATOM 1475 CA GLU A 89 -1.206 -11.763 2.362 1.00 0.00 C -ATOM 1476 C GLU A 89 -0.045 -11.025 1.694 1.00 0.00 C -ATOM 1477 O GLU A 89 0.319 -11.318 0.550 1.00 0.00 O -ATOM 1478 CB GLU A 89 -2.556 -11.209 1.939 1.00 0.00 C -ATOM 1479 CG GLU A 89 -3.691 -12.184 2.196 1.00 0.00 C -ATOM 1480 CD GLU A 89 -3.545 -13.444 1.361 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -4.028 -13.460 0.214 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -2.939 -14.430 1.822 1.00 0.00 O -ATOM 1483 H GLU A 89 -1.745 -11.333 4.365 1.00 0.00 H -ATOM 1484 HA GLU A 89 -1.148 -12.795 2.047 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -2.751 -10.300 2.488 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -2.532 -10.989 0.882 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -3.689 -12.456 3.241 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -4.628 -11.708 1.947 1.00 0.00 H -ATOM 1489 N ALA A 90 0.544 -10.085 2.403 1.00 0.00 N -ATOM 1490 CA ALA A 90 1.688 -9.370 1.890 1.00 0.00 C -ATOM 1491 C ALA A 90 2.895 -10.308 1.807 1.00 0.00 C -ATOM 1492 O ALA A 90 3.538 -10.415 0.762 1.00 0.00 O -ATOM 1493 CB ALA A 90 1.996 -8.150 2.744 1.00 0.00 C -ATOM 1494 H ALA A 90 0.201 -9.870 3.295 1.00 0.00 H -ATOM 1495 HA ALA A 90 1.439 -9.044 0.891 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 1.130 -7.505 2.780 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 2.829 -7.610 2.317 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 2.246 -8.468 3.745 1.00 0.00 H -ATOM 1499 N VAL A 91 3.159 -11.042 2.894 1.00 0.00 N -ATOM 1500 CA VAL A 91 4.292 -11.972 2.929 1.00 0.00 C -ATOM 1501 C VAL A 91 4.024 -13.206 2.027 1.00 0.00 C -ATOM 1502 O VAL A 91 4.952 -13.839 1.522 1.00 0.00 O -ATOM 1503 CB VAL A 91 4.695 -12.376 4.392 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 3.614 -13.164 5.093 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 6.021 -13.117 4.432 1.00 0.00 C -ATOM 1506 H VAL A 91 2.581 -10.945 3.684 1.00 0.00 H -ATOM 1507 HA VAL A 91 5.115 -11.444 2.469 1.00 0.00 H -ATOM 1508 HB VAL A 91 4.814 -11.456 4.946 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 2.713 -12.571 5.128 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 3.935 -13.402 6.097 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 3.426 -14.075 4.546 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 6.801 -12.485 4.033 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 5.948 -14.014 3.835 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 6.257 -13.381 5.452 1.00 0.00 H -ATOM 1515 N LYS A 92 2.740 -13.480 1.784 1.00 0.00 N -ATOM 1516 CA LYS A 92 2.277 -14.540 0.865 1.00 0.00 C -ATOM 1517 C LYS A 92 2.752 -14.291 -0.565 1.00 0.00 C -ATOM 1518 O LYS A 92 2.894 -15.228 -1.361 1.00 0.00 O -ATOM 1519 CB LYS A 92 0.748 -14.600 0.884 1.00 0.00 C -ATOM 1520 CG LYS A 92 0.142 -15.438 1.997 1.00 0.00 C -ATOM 1521 CD LYS A 92 0.143 -16.918 1.666 1.00 0.00 C -ATOM 1522 CE LYS A 92 -0.848 -17.235 0.550 1.00 0.00 C -ATOM 1523 NZ LYS A 92 -2.253 -16.904 0.930 1.00 0.00 N -ATOM 1524 H LYS A 92 2.063 -12.954 2.266 1.00 0.00 H -ATOM 1525 HA LYS A 92 2.664 -15.486 1.212 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 0.411 -13.587 1.052 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 0.386 -14.950 -0.070 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 0.723 -15.283 2.892 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 -0.874 -15.111 2.164 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 1.132 -17.203 1.343 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 -0.128 -17.483 2.545 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 -0.583 -16.686 -0.341 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 -0.785 -18.291 0.334 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 -2.546 -17.436 1.774 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 -2.918 -17.160 0.173 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 -2.395 -15.889 1.137 1.00 0.00 H -ATOM 1537 N ARG A 93 2.988 -13.033 -0.894 1.00 0.00 N -ATOM 1538 CA ARG A 93 3.452 -12.682 -2.221 1.00 0.00 C -ATOM 1539 C ARG A 93 4.980 -12.715 -2.260 1.00 0.00 C -ATOM 1540 O ARG A 93 5.603 -12.663 -3.329 1.00 0.00 O -ATOM 1541 CB ARG A 93 2.990 -11.282 -2.605 1.00 0.00 C -ATOM 1542 CG ARG A 93 3.171 -10.982 -4.083 1.00 0.00 C -ATOM 1543 CD ARG A 93 3.482 -9.529 -4.326 1.00 0.00 C -ATOM 1544 NE ARG A 93 4.799 -9.161 -3.776 1.00 0.00 N -ATOM 1545 CZ ARG A 93 5.323 -7.936 -3.807 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 4.746 -6.971 -4.533 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 6.470 -7.699 -3.190 1.00 0.00 N -ATOM 1548 H ARG A 93 2.835 -12.325 -0.231 1.00 0.00 H -ATOM 1549 HA ARG A 93 3.064 -13.393 -2.929 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 1.943 -11.177 -2.357 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 3.558 -10.559 -2.040 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 3.990 -11.578 -4.452 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 2.264 -11.250 -4.606 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 3.479 -9.341 -5.389 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 2.724 -8.924 -3.853 1.00 0.00 H -ATOM 1556 HE ARG A 93 5.288 -9.889 -3.333 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 3.914 -7.129 -5.091 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 5.124 -6.043 -4.543 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 6.993 -8.403 -2.698 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 6.866 -6.771 -3.173 1.00 0.00 H -ATOM 1561 N ILE A 94 5.568 -12.795 -1.102 1.00 0.00 N -ATOM 1562 CA ILE A 94 6.995 -12.735 -0.974 1.00 0.00 C -ATOM 1563 C ILE A 94 7.583 -14.147 -0.947 1.00 0.00 C -ATOM 1564 O ILE A 94 8.380 -14.518 -1.827 1.00 0.00 O -ATOM 1565 CB ILE A 94 7.388 -11.909 0.286 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 6.756 -10.509 0.181 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 8.900 -11.795 0.416 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 6.986 -9.618 1.374 1.00 0.00 C -ATOM 1569 H ILE A 94 5.021 -12.932 -0.300 1.00 0.00 H -ATOM 1570 HA ILE A 94 7.378 -12.234 -1.850 1.00 0.00 H -ATOM 1571 HB ILE A 94 6.995 -12.396 1.165 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 7.168 -10.003 -0.678 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 5.689 -10.619 0.045 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 9.144 -11.240 1.312 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 9.291 -11.273 -0.444 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 9.329 -12.784 0.472 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 8.045 -9.449 1.496 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 6.587 -10.093 2.257 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 6.481 -8.677 1.208 1.00 0.00 H -ATOM 1580 N LEU A 95 7.172 -14.939 0.009 1.00 0.00 N -ATOM 1581 CA LEU A 95 7.620 -16.305 0.099 1.00 0.00 C -ATOM 1582 C LEU A 95 6.468 -17.194 0.513 1.00 0.00 C -ATOM 1583 O LEU A 95 5.842 -17.810 -0.364 1.00 0.00 O -ATOM 1584 CB LEU A 95 8.889 -16.516 1.001 1.00 0.00 C -ATOM 1585 CG LEU A 95 8.828 -16.159 2.506 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 10.035 -16.744 3.217 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 8.814 -14.656 2.720 1.00 0.00 C -ATOM 1588 OXT LEU A 95 6.131 -17.231 1.705 1.00 0.00 O -ATOM 1589 H LEU A 95 6.517 -14.635 0.676 1.00 0.00 H -ATOM 1590 HA LEU A 95 7.868 -16.584 -0.914 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 9.159 -17.560 0.938 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 9.694 -15.948 0.558 1.00 0.00 H -ATOM 1593 HG LEU A 95 7.935 -16.582 2.940 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 9.988 -16.495 4.266 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 10.942 -16.339 2.794 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 10.033 -17.818 3.105 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 9.717 -14.225 2.315 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 8.754 -14.444 3.777 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 7.957 -14.234 2.217 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 9 -ATOM 1 N MET A 1 10.910 15.241 -1.768 1.00 0.00 N -ATOM 2 CA MET A 1 11.088 14.090 -2.645 1.00 0.00 C -ATOM 3 C MET A 1 9.759 13.424 -2.817 1.00 0.00 C -ATOM 4 O MET A 1 8.953 13.431 -1.900 1.00 0.00 O -ATOM 5 CB MET A 1 12.092 13.087 -2.044 1.00 0.00 C -ATOM 6 CG MET A 1 12.398 11.891 -2.942 1.00 0.00 C -ATOM 7 SD MET A 1 13.552 10.724 -2.197 1.00 0.00 S -ATOM 8 CE MET A 1 13.686 9.513 -3.514 1.00 0.00 C -ATOM 9 H MET A 1 10.266 15.920 -2.225 1.00 0.00 H -ATOM 10 HA MET A 1 11.446 14.439 -3.601 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.021 13.596 -1.835 1.00 0.00 H -ATOM 12 HB3 MET A 1 11.676 12.713 -1.122 1.00 0.00 H -ATOM 13 HG2 MET A 1 11.475 11.372 -3.153 1.00 0.00 H -ATOM 14 HG3 MET A 1 12.822 12.253 -3.867 1.00 0.00 H -ATOM 15 HE1 MET A 1 14.046 9.998 -4.409 1.00 0.00 H -ATOM 16 HE2 MET A 1 12.717 9.076 -3.702 1.00 0.00 H -ATOM 17 HE3 MET A 1 14.378 8.738 -3.221 1.00 0.00 H -ATOM 18 N ALA A 2 9.521 12.876 -3.972 1.00 0.00 N -ATOM 19 CA ALA A 2 8.305 12.167 -4.233 1.00 0.00 C -ATOM 20 C ALA A 2 8.642 10.842 -4.862 1.00 0.00 C -ATOM 21 O ALA A 2 9.699 10.697 -5.480 1.00 0.00 O -ATOM 22 CB ALA A 2 7.390 12.973 -5.139 1.00 0.00 C -ATOM 23 H ALA A 2 10.190 12.916 -4.692 1.00 0.00 H -ATOM 24 HA ALA A 2 7.804 11.997 -3.291 1.00 0.00 H -ATOM 25 HB1 ALA A 2 7.877 13.141 -6.089 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.170 13.922 -4.673 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.472 12.426 -5.295 1.00 0.00 H -ATOM 28 N TYR A 3 7.787 9.886 -4.673 1.00 0.00 N -ATOM 29 CA TYR A 3 7.963 8.569 -5.227 1.00 0.00 C -ATOM 30 C TYR A 3 6.808 8.291 -6.165 1.00 0.00 C -ATOM 31 O TYR A 3 5.838 9.040 -6.185 1.00 0.00 O -ATOM 32 CB TYR A 3 8.008 7.498 -4.115 1.00 0.00 C -ATOM 33 CG TYR A 3 9.223 7.542 -3.193 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.426 8.591 -2.302 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.146 6.505 -3.192 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.508 8.603 -1.443 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.233 6.515 -2.339 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.410 7.561 -1.468 1.00 0.00 C -ATOM 39 OH TYR A 3 12.481 7.556 -0.593 1.00 0.00 O -ATOM 40 H TYR A 3 6.970 10.063 -4.162 1.00 0.00 H -ATOM 41 HA TYR A 3 8.889 8.551 -5.782 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.137 7.611 -3.487 1.00 0.00 H -ATOM 43 HB3 TYR A 3 7.976 6.523 -4.578 1.00 0.00 H -ATOM 44 HD1 TYR A 3 8.718 9.407 -2.287 1.00 0.00 H -ATOM 45 HD2 TYR A 3 10.011 5.681 -3.877 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.646 9.428 -0.759 1.00 0.00 H -ATOM 47 HE2 TYR A 3 11.942 5.703 -2.351 1.00 0.00 H -ATOM 48 HH TYR A 3 13.267 7.178 -1.023 1.00 0.00 H -ATOM 49 N PHE A 4 6.913 7.248 -6.930 1.00 0.00 N -ATOM 50 CA PHE A 4 5.870 6.874 -7.864 1.00 0.00 C -ATOM 51 C PHE A 4 4.992 5.771 -7.294 1.00 0.00 C -ATOM 52 O PHE A 4 5.366 5.115 -6.323 1.00 0.00 O -ATOM 53 CB PHE A 4 6.495 6.446 -9.195 1.00 0.00 C -ATOM 54 CG PHE A 4 7.178 7.577 -9.911 1.00 0.00 C -ATOM 55 CD1 PHE A 4 6.459 8.425 -10.734 1.00 0.00 C -ATOM 56 CD2 PHE A 4 8.536 7.798 -9.754 1.00 0.00 C -ATOM 57 CE1 PHE A 4 7.080 9.473 -11.382 1.00 0.00 C -ATOM 58 CE2 PHE A 4 9.162 8.841 -10.400 1.00 0.00 C -ATOM 59 CZ PHE A 4 8.435 9.679 -11.215 1.00 0.00 C -ATOM 60 H PHE A 4 7.733 6.710 -6.885 1.00 0.00 H -ATOM 61 HA PHE A 4 5.262 7.750 -8.037 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.248 5.703 -8.977 1.00 0.00 H -ATOM 63 HB3 PHE A 4 5.755 6.005 -9.846 1.00 0.00 H -ATOM 64 HD1 PHE A 4 5.399 8.263 -10.863 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.110 7.142 -9.115 1.00 0.00 H -ATOM 66 HE1 PHE A 4 6.509 10.128 -12.023 1.00 0.00 H -ATOM 67 HE2 PHE A 4 10.222 9.002 -10.266 1.00 0.00 H -ATOM 68 HZ PHE A 4 8.925 10.498 -11.719 1.00 0.00 H -ATOM 69 N LEU A 5 3.824 5.584 -7.883 1.00 0.00 N -ATOM 70 CA LEU A 5 2.893 4.542 -7.464 1.00 0.00 C -ATOM 71 C LEU A 5 2.866 3.379 -8.419 1.00 0.00 C -ATOM 72 O LEU A 5 2.740 3.558 -9.647 1.00 0.00 O -ATOM 73 CB LEU A 5 1.447 5.068 -7.309 1.00 0.00 C -ATOM 74 CG LEU A 5 1.007 5.558 -5.927 1.00 0.00 C -ATOM 75 CD1 LEU A 5 1.125 4.447 -4.905 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.790 6.769 -5.501 1.00 0.00 C -ATOM 77 H LEU A 5 3.570 6.171 -8.625 1.00 0.00 H -ATOM 78 HA LEU A 5 3.222 4.188 -6.499 1.00 0.00 H -ATOM 79 HB2 LEU A 5 1.325 5.889 -8.001 1.00 0.00 H -ATOM 80 HB3 LEU A 5 0.783 4.274 -7.617 1.00 0.00 H -ATOM 81 HG LEU A 5 -0.041 5.822 -5.957 1.00 0.00 H -ATOM 82 HD11 LEU A 5 2.148 4.106 -4.848 1.00 0.00 H -ATOM 83 HD12 LEU A 5 0.489 3.624 -5.192 1.00 0.00 H -ATOM 84 HD13 LEU A 5 0.822 4.813 -3.936 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.841 6.521 -5.495 1.00 0.00 H -ATOM 86 HD22 LEU A 5 1.476 7.065 -4.510 1.00 0.00 H -ATOM 87 HD23 LEU A 5 1.608 7.570 -6.202 1.00 0.00 H -ATOM 88 N ASP A 6 2.978 2.202 -7.873 1.00 0.00 N -ATOM 89 CA ASP A 6 2.794 0.990 -8.626 1.00 0.00 C -ATOM 90 C ASP A 6 1.987 0.042 -7.791 1.00 0.00 C -ATOM 91 O ASP A 6 2.049 0.081 -6.564 1.00 0.00 O -ATOM 92 CB ASP A 6 4.104 0.341 -9.056 1.00 0.00 C -ATOM 93 CG ASP A 6 3.875 -0.808 -10.016 1.00 0.00 C -ATOM 94 OD1 ASP A 6 3.289 -0.582 -11.097 1.00 0.00 O -ATOM 95 OD2 ASP A 6 4.270 -1.938 -9.725 1.00 0.00 O -ATOM 96 H ASP A 6 3.200 2.116 -6.917 1.00 0.00 H -ATOM 97 HA ASP A 6 2.205 1.241 -9.496 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.757 1.067 -9.516 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.566 -0.062 -8.168 1.00 0.00 H -ATOM 100 N PHE A 7 1.229 -0.779 -8.430 1.00 0.00 N -ATOM 101 CA PHE A 7 0.332 -1.678 -7.756 1.00 0.00 C -ATOM 102 C PHE A 7 0.505 -3.054 -8.330 1.00 0.00 C -ATOM 103 O PHE A 7 0.598 -3.208 -9.559 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.140 -1.257 -7.973 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.530 0.118 -7.479 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -1.276 1.251 -8.245 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.169 0.273 -6.261 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -1.645 2.505 -7.800 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.543 1.527 -5.813 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.281 2.642 -6.583 1.00 0.00 C -ATOM 111 H PHE A 7 1.313 -0.821 -9.405 1.00 0.00 H -ATOM 112 HA PHE A 7 0.545 -1.679 -6.699 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.349 -1.282 -9.032 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.778 -1.979 -7.484 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -0.780 1.143 -9.198 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.371 -0.597 -5.655 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -1.439 3.375 -8.404 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.042 1.634 -4.861 1.00 0.00 H -ATOM 119 HZ PHE A 7 -2.574 3.621 -6.234 1.00 0.00 H -ATOM 120 N ASP A 8 0.583 -4.042 -7.484 1.00 0.00 N -ATOM 121 CA ASP A 8 0.606 -5.414 -7.949 1.00 0.00 C -ATOM 122 C ASP A 8 -0.784 -5.760 -8.448 1.00 0.00 C -ATOM 123 O ASP A 8 -1.764 -5.158 -8.002 1.00 0.00 O -ATOM 124 CB ASP A 8 0.999 -6.378 -6.827 1.00 0.00 C -ATOM 125 CG ASP A 8 1.032 -7.816 -7.296 1.00 0.00 C -ATOM 126 OD1 ASP A 8 2.064 -8.270 -7.814 1.00 0.00 O -ATOM 127 OD2 ASP A 8 0.020 -8.509 -7.184 1.00 0.00 O -ATOM 128 H ASP A 8 0.636 -3.860 -6.519 1.00 0.00 H -ATOM 129 HA ASP A 8 1.309 -5.490 -8.765 1.00 0.00 H -ATOM 130 HB2 ASP A 8 1.977 -6.113 -6.455 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.279 -6.297 -6.025 1.00 0.00 H -ATOM 132 N GLU A 9 -0.877 -6.694 -9.364 1.00 0.00 N -ATOM 133 CA GLU A 9 -2.153 -7.116 -9.906 1.00 0.00 C -ATOM 134 C GLU A 9 -3.118 -7.604 -8.809 1.00 0.00 C -ATOM 135 O GLU A 9 -4.316 -7.425 -8.932 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.971 -8.198 -10.948 1.00 0.00 C -ATOM 137 CG GLU A 9 -1.305 -9.442 -10.419 1.00 0.00 C -ATOM 138 CD GLU A 9 -1.336 -10.542 -11.405 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -2.324 -11.303 -11.410 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -0.393 -10.657 -12.206 1.00 0.00 O -ATOM 141 H GLU A 9 -0.051 -7.109 -9.693 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.596 -6.256 -10.383 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.941 -8.475 -11.334 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -1.369 -7.810 -11.755 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -0.277 -9.218 -10.179 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -1.823 -9.760 -9.525 1.00 0.00 H -ATOM 147 N ARG A 10 -2.590 -8.207 -7.742 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.422 -8.663 -6.640 1.00 0.00 C -ATOM 149 C ARG A 10 -3.992 -7.481 -5.921 1.00 0.00 C -ATOM 150 O ARG A 10 -5.178 -7.447 -5.596 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.642 -9.520 -5.657 1.00 0.00 C -ATOM 152 CG ARG A 10 -2.187 -10.855 -6.207 1.00 0.00 C -ATOM 153 CD ARG A 10 -1.457 -11.649 -5.141 1.00 0.00 C -ATOM 154 NE ARG A 10 -2.277 -11.801 -3.929 1.00 0.00 N -ATOM 155 CZ ARG A 10 -2.330 -12.888 -3.151 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -1.632 -13.987 -3.461 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -3.110 -12.873 -2.087 1.00 0.00 N -ATOM 158 H ARG A 10 -1.609 -8.335 -7.677 1.00 0.00 H -ATOM 159 HA ARG A 10 -4.233 -9.244 -7.053 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.767 -8.972 -5.342 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.272 -9.702 -4.799 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -3.052 -11.415 -6.532 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -1.523 -10.688 -7.042 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -1.221 -12.625 -5.533 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -0.547 -11.129 -4.880 1.00 0.00 H -ATOM 166 HE ARG A 10 -2.808 -11.010 -3.682 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -1.052 -14.044 -4.277 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -1.647 -14.810 -2.884 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -3.665 -12.071 -1.856 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -3.183 -13.639 -1.429 1.00 0.00 H -ATOM 171 N ALA A 11 -3.150 -6.487 -5.726 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.551 -5.263 -5.089 1.00 0.00 C -ATOM 173 C ALA A 11 -4.573 -4.550 -5.949 1.00 0.00 C -ATOM 174 O ALA A 11 -5.481 -3.944 -5.437 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.349 -4.370 -4.828 1.00 0.00 C -ATOM 176 H ALA A 11 -2.222 -6.588 -6.027 1.00 0.00 H -ATOM 177 HA ALA A 11 -4.008 -5.519 -4.144 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.889 -4.103 -5.767 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.635 -4.897 -4.211 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -2.672 -3.475 -4.318 1.00 0.00 H -ATOM 181 N LEU A 12 -4.445 -4.685 -7.265 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.372 -4.077 -8.193 1.00 0.00 C -ATOM 183 C LEU A 12 -6.704 -4.754 -8.120 1.00 0.00 C -ATOM 184 O LEU A 12 -7.734 -4.106 -8.169 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.838 -4.118 -9.613 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.717 -3.143 -9.941 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.194 -3.412 -11.335 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.229 -1.705 -9.842 1.00 0.00 C -ATOM 189 H LEU A 12 -3.708 -5.229 -7.623 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.497 -3.047 -7.898 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.481 -5.120 -9.800 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.663 -3.927 -10.279 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.907 -3.264 -9.237 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -3.993 -3.280 -12.049 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.825 -4.425 -11.390 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -2.395 -2.722 -11.553 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -3.435 -1.018 -10.095 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -4.569 -1.499 -8.836 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -5.053 -1.566 -10.525 1.00 0.00 H -ATOM 200 N LYS A 13 -6.682 -6.056 -7.980 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.894 -6.826 -7.849 1.00 0.00 C -ATOM 202 C LYS A 13 -8.641 -6.413 -6.591 1.00 0.00 C -ATOM 203 O LYS A 13 -9.856 -6.199 -6.625 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.567 -8.314 -7.820 1.00 0.00 C -ATOM 205 CG LYS A 13 -7.040 -8.849 -9.138 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.473 -10.240 -8.976 1.00 0.00 C -ATOM 207 CE LYS A 13 -6.099 -10.866 -10.318 1.00 0.00 C -ATOM 208 NZ LYS A 13 -4.974 -10.168 -10.992 1.00 0.00 N -ATOM 209 H LYS A 13 -5.811 -6.512 -7.969 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.506 -6.616 -8.714 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -6.817 -8.488 -7.062 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.461 -8.864 -7.561 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.844 -8.879 -9.857 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -6.261 -8.189 -9.491 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.575 -10.117 -8.388 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -7.183 -10.863 -8.453 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -5.823 -11.897 -10.158 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -6.968 -10.835 -10.957 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -4.069 -10.328 -10.511 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -5.150 -9.145 -11.049 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -4.873 -10.494 -11.976 1.00 0.00 H -ATOM 222 N GLU A 14 -7.916 -6.260 -5.499 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.511 -5.819 -4.255 1.00 0.00 C -ATOM 224 C GLU A 14 -8.941 -4.337 -4.330 1.00 0.00 C -ATOM 225 O GLU A 14 -9.977 -3.959 -3.823 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.601 -6.112 -3.059 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.230 -7.591 -2.942 1.00 0.00 C -ATOM 228 CD GLU A 14 -6.585 -7.959 -1.625 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -5.345 -7.797 -1.460 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -7.310 -8.464 -0.719 1.00 0.00 O -ATOM 231 H GLU A 14 -6.957 -6.471 -5.526 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.420 -6.397 -4.151 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.691 -5.537 -3.164 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.105 -5.816 -2.151 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -8.123 -8.183 -3.059 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.544 -7.832 -3.740 1.00 0.00 H -ATOM 237 N TRP A 15 -8.150 -3.532 -4.998 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.429 -2.099 -5.210 1.00 0.00 C -ATOM 239 C TRP A 15 -9.731 -1.920 -6.024 1.00 0.00 C -ATOM 240 O TRP A 15 -10.557 -1.040 -5.736 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.222 -1.489 -5.953 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.263 -0.022 -6.232 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.726 0.588 -7.359 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.769 1.017 -5.387 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.575 1.946 -7.254 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -6.985 2.235 -6.053 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.171 1.035 -4.125 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.623 3.457 -5.502 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -5.811 2.248 -3.581 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.037 3.442 -4.267 1.00 0.00 C -ATOM 251 H TRP A 15 -7.305 -3.893 -5.352 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.545 -1.617 -4.248 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.332 -1.667 -5.369 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.118 -2.005 -6.897 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -8.156 0.061 -8.200 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.848 2.598 -7.937 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -5.989 0.120 -3.580 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.791 4.389 -6.021 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.346 2.283 -2.607 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -5.737 4.366 -3.796 1.00 0.00 H -ATOM 261 N ARG A 16 -9.901 -2.745 -7.041 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.107 -2.723 -7.863 1.00 0.00 C -ATOM 263 C ARG A 16 -12.284 -3.359 -7.131 1.00 0.00 C -ATOM 264 O ARG A 16 -13.440 -3.102 -7.457 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.868 -3.396 -9.203 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.778 -2.730 -10.015 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.500 -3.489 -11.282 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.312 -2.988 -11.972 1.00 0.00 N -ATOM 269 CZ ARG A 16 -7.549 -3.726 -12.778 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -7.916 -4.973 -13.088 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -6.439 -3.213 -13.296 1.00 0.00 N -ATOM 272 H ARG A 16 -9.177 -3.376 -7.257 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.350 -1.683 -8.030 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.590 -4.424 -9.032 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.783 -3.369 -9.775 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.098 -1.731 -10.270 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.877 -2.686 -9.422 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.339 -4.526 -11.028 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -10.352 -3.400 -11.939 1.00 0.00 H -ATOM 280 HE ARG A 16 -8.079 -2.051 -11.775 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.762 -5.389 -12.739 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -7.346 -5.547 -13.680 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -6.143 -2.270 -13.113 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -5.830 -3.758 -13.880 1.00 0.00 H -ATOM 285 N LYS A 17 -11.974 -4.211 -6.172 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.968 -4.835 -5.304 1.00 0.00 C -ATOM 287 C LYS A 17 -13.568 -3.754 -4.421 1.00 0.00 C -ATOM 288 O LYS A 17 -14.796 -3.665 -4.252 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.267 -5.869 -4.428 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.146 -6.629 -3.471 1.00 0.00 C -ATOM 291 CD LYS A 17 -12.286 -7.419 -2.502 1.00 0.00 C -ATOM 292 CE LYS A 17 -13.111 -8.345 -1.642 1.00 0.00 C -ATOM 293 NZ LYS A 17 -13.741 -9.404 -2.448 1.00 0.00 N -ATOM 294 H LYS A 17 -11.029 -4.438 -6.040 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.740 -5.315 -5.888 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -11.783 -6.588 -5.071 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.504 -5.361 -3.858 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -13.757 -5.927 -2.921 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -13.776 -7.310 -4.022 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -11.572 -8.005 -3.062 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -11.757 -6.724 -1.866 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -12.478 -8.796 -0.892 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -13.883 -7.759 -1.167 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -14.464 -9.022 -3.090 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -14.190 -10.121 -1.850 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -13.025 -9.882 -3.035 1.00 0.00 H -ATOM 307 N LEU A 18 -12.676 -2.936 -3.885 1.00 0.00 N -ATOM 308 CA LEU A 18 -13.004 -1.808 -3.033 1.00 0.00 C -ATOM 309 C LEU A 18 -13.905 -0.814 -3.711 1.00 0.00 C -ATOM 310 O LEU A 18 -13.882 -0.648 -4.942 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.731 -1.091 -2.574 1.00 0.00 C -ATOM 312 CG LEU A 18 -11.176 -1.460 -1.203 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.980 -2.952 -1.046 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.884 -0.721 -0.959 1.00 0.00 C -ATOM 315 H LEU A 18 -11.727 -3.108 -4.069 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.501 -2.184 -2.152 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.960 -1.279 -3.306 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.936 -0.029 -2.577 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.880 -1.131 -0.457 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -10.288 -3.308 -1.795 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -11.941 -3.429 -1.182 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.603 -3.169 -0.058 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.498 -0.981 0.015 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -10.087 0.340 -0.994 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.165 -0.983 -1.721 1.00 0.00 H -ATOM 326 N GLY A 19 -14.680 -0.151 -2.906 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.568 0.866 -3.392 1.00 0.00 C -ATOM 328 C GLY A 19 -14.785 2.102 -3.723 1.00 0.00 C -ATOM 329 O GLY A 19 -13.733 2.342 -3.096 1.00 0.00 O -ATOM 330 H GLY A 19 -14.611 -0.362 -1.949 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.074 0.506 -4.277 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.293 1.100 -2.629 1.00 0.00 H -ATOM 333 N SER A 20 -15.281 2.894 -4.667 1.00 0.00 N -ATOM 334 CA SER A 20 -14.584 4.069 -5.163 1.00 0.00 C -ATOM 335 C SER A 20 -14.162 4.983 -4.023 1.00 0.00 C -ATOM 336 O SER A 20 -13.004 5.265 -3.872 1.00 0.00 O -ATOM 337 CB SER A 20 -15.448 4.838 -6.181 1.00 0.00 C -ATOM 338 OG SER A 20 -14.726 5.932 -6.755 1.00 0.00 O -ATOM 339 H SER A 20 -16.165 2.683 -5.041 1.00 0.00 H -ATOM 340 HA SER A 20 -13.693 3.723 -5.666 1.00 0.00 H -ATOM 341 HB2 SER A 20 -15.745 4.167 -6.974 1.00 0.00 H -ATOM 342 HB3 SER A 20 -16.331 5.218 -5.689 1.00 0.00 H -ATOM 343 HG SER A 20 -14.682 6.684 -6.136 1.00 0.00 H -ATOM 344 N THR A 21 -15.100 5.345 -3.192 1.00 0.00 N -ATOM 345 CA THR A 21 -14.884 6.271 -2.091 1.00 0.00 C -ATOM 346 C THR A 21 -13.780 5.769 -1.135 1.00 0.00 C -ATOM 347 O THR A 21 -12.938 6.552 -0.671 1.00 0.00 O -ATOM 348 CB THR A 21 -16.202 6.460 -1.314 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.258 6.746 -2.254 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.097 7.607 -0.308 1.00 0.00 C -ATOM 351 H THR A 21 -15.992 4.970 -3.330 1.00 0.00 H -ATOM 352 HA THR A 21 -14.591 7.226 -2.502 1.00 0.00 H -ATOM 353 HB THR A 21 -16.432 5.541 -0.794 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.012 7.529 -2.769 1.00 0.00 H -ATOM 355 HG21 THR A 21 -17.036 7.718 0.214 1.00 0.00 H -ATOM 356 HG22 THR A 21 -15.856 8.524 -0.826 1.00 0.00 H -ATOM 357 HG23 THR A 21 -15.315 7.387 0.404 1.00 0.00 H -ATOM 358 N VAL A 22 -13.747 4.463 -0.907 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.787 3.877 0.005 1.00 0.00 C -ATOM 360 C VAL A 22 -11.396 3.907 -0.615 1.00 0.00 C -ATOM 361 O VAL A 22 -10.437 4.376 -0.003 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.181 2.412 0.349 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -12.154 1.763 1.255 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.561 2.364 0.993 1.00 0.00 C -ATOM 365 H VAL A 22 -14.357 3.871 -1.394 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.777 4.459 0.914 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.220 1.849 -0.573 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -12.092 2.316 2.180 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -11.191 1.768 0.767 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -12.449 0.745 1.464 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.816 1.342 1.227 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -15.290 2.772 0.307 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.556 2.951 1.899 1.00 0.00 H -ATOM 374 N ARG A 23 -11.309 3.479 -1.850 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.043 3.469 -2.544 1.00 0.00 C -ATOM 376 C ARG A 23 -9.542 4.880 -2.835 1.00 0.00 C -ATOM 377 O ARG A 23 -8.353 5.118 -2.831 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.055 2.602 -3.787 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.115 2.952 -4.794 1.00 0.00 C -ATOM 380 CD ARG A 23 -10.809 2.293 -6.102 1.00 0.00 C -ATOM 381 NE ARG A 23 -11.819 2.576 -7.112 1.00 0.00 N -ATOM 382 CZ ARG A 23 -12.550 1.653 -7.733 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.443 0.369 -7.401 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.406 2.024 -8.675 1.00 0.00 N -ATOM 385 H ARG A 23 -12.122 3.158 -2.301 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.343 3.046 -1.838 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.092 2.662 -4.271 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.226 1.582 -3.471 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.041 2.541 -4.415 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.242 4.020 -4.905 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -9.856 2.684 -6.427 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -10.731 1.227 -5.948 1.00 0.00 H -ATOM 393 HE ARG A 23 -11.921 3.527 -7.348 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -11.821 0.033 -6.684 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -13.002 -0.322 -7.862 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -13.506 2.990 -8.924 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -13.976 1.365 -9.173 1.00 0.00 H -ATOM 398 N GLU A 24 -10.457 5.794 -3.107 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.128 7.194 -3.350 1.00 0.00 C -ATOM 400 C GLU A 24 -9.380 7.800 -2.185 1.00 0.00 C -ATOM 401 O GLU A 24 -8.350 8.447 -2.371 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.381 8.005 -3.647 1.00 0.00 C -ATOM 403 CG GLU A 24 -11.902 7.825 -5.061 1.00 0.00 C -ATOM 404 CD GLU A 24 -13.085 8.693 -5.351 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -12.897 9.912 -5.563 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -14.226 8.195 -5.381 1.00 0.00 O -ATOM 407 H GLU A 24 -11.401 5.523 -3.161 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.486 7.227 -4.218 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.146 7.645 -2.973 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.221 9.050 -3.438 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -11.118 8.069 -5.761 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.190 6.792 -5.194 1.00 0.00 H -ATOM 413 N GLN A 25 -9.865 7.551 -0.987 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.224 8.058 0.215 1.00 0.00 C -ATOM 415 C GLN A 25 -7.856 7.420 0.404 1.00 0.00 C -ATOM 416 O GLN A 25 -6.910 8.076 0.843 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.123 7.841 1.414 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.365 8.712 1.379 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.397 8.292 2.383 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -12.412 8.742 3.526 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.268 7.432 1.958 1.00 0.00 N -ATOM 422 H GLN A 25 -10.678 7.004 -0.900 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.080 9.119 0.072 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.432 6.807 1.421 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.579 8.054 2.322 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.080 9.733 1.586 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -11.795 8.653 0.391 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.170 7.138 1.022 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -13.974 7.121 2.566 1.00 0.00 H -ATOM 430 N LEU A 26 -7.750 6.159 0.031 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.484 5.450 0.080 1.00 0.00 C -ATOM 432 C LEU A 26 -5.504 6.027 -0.937 1.00 0.00 C -ATOM 433 O LEU A 26 -4.334 6.230 -0.626 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.686 3.959 -0.167 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.510 3.201 0.880 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.671 1.755 0.474 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.861 3.289 2.256 1.00 0.00 C -ATOM 438 H LEU A 26 -8.553 5.687 -0.280 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.068 5.590 1.066 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.174 3.865 -1.127 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.711 3.501 -0.242 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.497 3.634 0.940 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.161 1.699 -0.486 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.265 1.239 1.212 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -6.699 1.289 0.407 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -7.437 2.706 2.959 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -6.841 4.319 2.583 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -5.853 2.904 2.208 1.00 0.00 H -ATOM 449 N LYS A 27 -5.991 6.300 -2.147 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.173 6.900 -3.197 1.00 0.00 C -ATOM 451 C LYS A 27 -4.632 8.247 -2.746 1.00 0.00 C -ATOM 452 O LYS A 27 -3.457 8.547 -2.927 1.00 0.00 O -ATOM 453 CB LYS A 27 -5.985 7.117 -4.470 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.156 7.704 -5.607 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.006 8.184 -6.770 1.00 0.00 C -ATOM 456 CE LYS A 27 -6.819 9.424 -6.396 1.00 0.00 C -ATOM 457 NZ LYS A 27 -7.619 9.926 -7.537 1.00 0.00 N -ATOM 458 H LYS A 27 -6.924 6.049 -2.343 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.350 6.235 -3.415 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.397 6.170 -4.789 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -6.796 7.790 -4.240 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -4.615 8.548 -5.207 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -4.456 6.956 -5.951 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -5.354 8.429 -7.596 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -6.680 7.390 -7.057 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -7.485 9.172 -5.584 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.133 10.191 -6.066 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -7.005 10.184 -8.336 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -8.178 10.761 -7.272 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -8.276 9.191 -7.867 1.00 0.00 H -ATOM 471 N LYS A 28 -5.495 9.044 -2.138 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.108 10.355 -1.639 1.00 0.00 C -ATOM 473 C LYS A 28 -4.052 10.224 -0.568 1.00 0.00 C -ATOM 474 O LYS A 28 -3.144 11.061 -0.464 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.309 11.129 -1.114 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.353 11.400 -2.166 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.447 12.296 -1.644 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.477 12.556 -2.715 1.00 0.00 C -ATOM 479 NZ LYS A 28 -10.411 13.625 -2.332 1.00 0.00 N -ATOM 480 H LYS A 28 -6.423 8.734 -2.047 1.00 0.00 H -ATOM 481 HA LYS A 28 -4.678 10.896 -2.469 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.768 10.561 -0.320 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -5.970 12.076 -0.721 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -6.885 11.877 -3.015 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -7.787 10.461 -2.477 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -8.925 11.811 -0.805 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.017 13.234 -1.324 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -8.973 12.821 -3.632 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.030 11.641 -2.869 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -10.938 13.387 -1.469 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -11.103 13.794 -3.090 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -9.895 14.513 -2.162 1.00 0.00 H -ATOM 493 N LYS A 29 -4.165 9.173 0.211 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.187 8.877 1.227 1.00 0.00 C -ATOM 495 C LYS A 29 -1.845 8.536 0.632 1.00 0.00 C -ATOM 496 O LYS A 29 -0.814 8.950 1.151 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.657 7.799 2.185 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.083 8.329 3.539 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.242 9.295 3.451 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.553 9.869 4.812 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.427 10.680 5.349 1.00 0.00 N -ATOM 502 H LYS A 29 -4.945 8.587 0.093 1.00 0.00 H -ATOM 503 HA LYS A 29 -3.053 9.790 1.777 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.496 7.285 1.741 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.848 7.098 2.323 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.386 7.500 4.162 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.242 8.831 3.994 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -4.985 10.100 2.778 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.112 8.774 3.080 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.451 10.467 4.769 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.702 9.019 5.462 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -4.107 11.381 4.644 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -3.621 10.087 5.629 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.745 11.204 6.188 1.00 0.00 H -ATOM 515 N LEU A 30 -1.861 7.801 -0.452 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.662 7.475 -1.175 1.00 0.00 C -ATOM 517 C LEU A 30 -0.011 8.751 -1.682 1.00 0.00 C -ATOM 518 O LEU A 30 1.183 8.951 -1.525 1.00 0.00 O -ATOM 519 CB LEU A 30 -0.998 6.549 -2.340 1.00 0.00 C -ATOM 520 CG LEU A 30 -1.672 5.234 -1.954 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.031 4.420 -3.182 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -0.783 4.441 -1.013 1.00 0.00 C -ATOM 523 H LEU A 30 -2.706 7.423 -0.775 1.00 0.00 H -ATOM 524 HA LEU A 30 0.012 6.967 -0.503 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -1.653 7.085 -3.010 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.082 6.322 -2.864 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.592 5.457 -1.435 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -2.685 4.997 -3.819 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -2.535 3.514 -2.882 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -1.136 4.164 -3.730 1.00 0.00 H -ATOM 531 HD21 LEU A 30 0.175 4.263 -1.478 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -1.256 3.499 -0.786 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.647 5.007 -0.101 1.00 0.00 H -ATOM 534 N VAL A 31 -0.827 9.632 -2.228 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.358 10.891 -2.777 1.00 0.00 C -ATOM 536 C VAL A 31 0.307 11.776 -1.699 1.00 0.00 C -ATOM 537 O VAL A 31 1.398 12.316 -1.921 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.525 11.655 -3.473 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -1.076 13.008 -3.998 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -2.083 10.818 -4.606 1.00 0.00 C -ATOM 541 H VAL A 31 -1.784 9.409 -2.272 1.00 0.00 H -ATOM 542 HA VAL A 31 0.387 10.658 -3.526 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.324 11.813 -2.762 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -0.714 13.605 -3.173 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -1.912 13.507 -4.464 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -0.284 12.871 -4.719 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -1.315 10.630 -5.342 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -2.914 11.338 -5.058 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -2.429 9.881 -4.194 1.00 0.00 H -ATOM 550 N GLU A 32 -0.319 11.890 -0.536 1.00 0.00 N -ATOM 551 CA GLU A 32 0.260 12.682 0.544 1.00 0.00 C -ATOM 552 C GLU A 32 1.522 12.013 1.131 1.00 0.00 C -ATOM 553 O GLU A 32 2.562 12.668 1.320 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.777 13.029 1.642 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.399 11.830 2.327 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.423 12.186 3.385 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -2.049 12.379 4.560 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -3.629 12.232 3.083 1.00 0.00 O -ATOM 559 H GLU A 32 -1.185 11.442 -0.415 1.00 0.00 H -ATOM 560 HA GLU A 32 0.587 13.599 0.077 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.303 13.641 2.394 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.569 13.601 1.181 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -1.880 11.245 1.559 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.611 11.244 2.777 1.00 0.00 H -ATOM 565 N VAL A 33 1.457 10.705 1.320 1.00 0.00 N -ATOM 566 CA VAL A 33 2.515 9.954 1.973 1.00 0.00 C -ATOM 567 C VAL A 33 3.835 10.017 1.194 1.00 0.00 C -ATOM 568 O VAL A 33 4.885 9.991 1.783 1.00 0.00 O -ATOM 569 CB VAL A 33 2.116 8.484 2.308 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.224 7.548 1.113 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.891 7.971 3.511 1.00 0.00 C -ATOM 572 H VAL A 33 0.664 10.210 1.015 1.00 0.00 H -ATOM 573 HA VAL A 33 2.696 10.474 2.903 1.00 0.00 H -ATOM 574 HB VAL A 33 1.071 8.507 2.579 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.901 6.556 1.391 1.00 0.00 H -ATOM 576 HG12 VAL A 33 3.253 7.509 0.787 1.00 0.00 H -ATOM 577 HG13 VAL A 33 1.608 7.923 0.309 1.00 0.00 H -ATOM 578 HG21 VAL A 33 3.945 8.058 3.308 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.642 6.936 3.689 1.00 0.00 H -ATOM 580 HG23 VAL A 33 2.640 8.560 4.380 1.00 0.00 H -ATOM 581 N LEU A 34 3.748 10.155 -0.130 1.00 0.00 N -ATOM 582 CA LEU A 34 4.919 10.162 -1.034 1.00 0.00 C -ATOM 583 C LEU A 34 5.998 11.171 -0.648 1.00 0.00 C -ATOM 584 O LEU A 34 7.162 10.966 -0.991 1.00 0.00 O -ATOM 585 CB LEU A 34 4.490 10.456 -2.466 1.00 0.00 C -ATOM 586 CG LEU A 34 3.603 9.433 -3.138 1.00 0.00 C -ATOM 587 CD1 LEU A 34 3.202 9.928 -4.513 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.309 8.086 -3.227 1.00 0.00 C -ATOM 589 H LEU A 34 2.851 10.221 -0.525 1.00 0.00 H -ATOM 590 HA LEU A 34 5.362 9.179 -1.022 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.956 11.394 -2.457 1.00 0.00 H -ATOM 592 HB3 LEU A 34 5.377 10.582 -3.070 1.00 0.00 H -ATOM 593 HG LEU A 34 2.701 9.310 -2.555 1.00 0.00 H -ATOM 594 HD11 LEU A 34 4.085 10.062 -5.121 1.00 0.00 H -ATOM 595 HD12 LEU A 34 2.687 10.873 -4.419 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.549 9.209 -4.983 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.594 7.753 -2.239 1.00 0.00 H -ATOM 598 HD22 LEU A 34 5.186 8.180 -3.848 1.00 0.00 H -ATOM 599 HD23 LEU A 34 3.639 7.361 -3.663 1.00 0.00 H -ATOM 600 N GLU A 35 5.632 12.249 0.049 1.00 0.00 N -ATOM 601 CA GLU A 35 6.636 13.243 0.448 1.00 0.00 C -ATOM 602 C GLU A 35 7.630 12.646 1.462 1.00 0.00 C -ATOM 603 O GLU A 35 8.793 13.056 1.544 1.00 0.00 O -ATOM 604 CB GLU A 35 5.977 14.499 1.015 1.00 0.00 C -ATOM 605 CG GLU A 35 5.129 14.252 2.244 1.00 0.00 C -ATOM 606 CD GLU A 35 4.442 15.486 2.718 1.00 0.00 C -ATOM 607 OE1 GLU A 35 3.310 15.766 2.262 1.00 0.00 O -ATOM 608 OE2 GLU A 35 5.004 16.208 3.566 1.00 0.00 O -ATOM 609 H GLU A 35 4.688 12.360 0.306 1.00 0.00 H -ATOM 610 HA GLU A 35 7.189 13.504 -0.444 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.753 15.200 1.283 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.355 14.943 0.252 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.379 13.511 2.009 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.762 13.879 3.035 1.00 0.00 H -ATOM 615 N SER A 36 7.160 11.687 2.230 1.00 0.00 N -ATOM 616 CA SER A 36 7.942 10.983 3.224 1.00 0.00 C -ATOM 617 C SER A 36 7.273 9.644 3.518 1.00 0.00 C -ATOM 618 O SER A 36 6.559 9.508 4.493 1.00 0.00 O -ATOM 619 CB SER A 36 8.073 11.809 4.522 1.00 0.00 C -ATOM 620 OG SER A 36 8.719 13.059 4.283 1.00 0.00 O -ATOM 621 H SER A 36 6.228 11.392 2.119 1.00 0.00 H -ATOM 622 HA SER A 36 8.924 10.778 2.825 1.00 0.00 H -ATOM 623 HB2 SER A 36 7.089 11.999 4.923 1.00 0.00 H -ATOM 624 HB3 SER A 36 8.651 11.249 5.242 1.00 0.00 H -ATOM 625 HG SER A 36 8.776 13.150 3.321 1.00 0.00 H -ATOM 626 N PRO A 37 7.419 8.651 2.620 1.00 0.00 N -ATOM 627 CA PRO A 37 6.783 7.354 2.810 1.00 0.00 C -ATOM 628 C PRO A 37 7.508 6.528 3.856 1.00 0.00 C -ATOM 629 O PRO A 37 6.919 5.674 4.512 1.00 0.00 O -ATOM 630 CB PRO A 37 6.859 6.709 1.429 1.00 0.00 C -ATOM 631 CG PRO A 37 8.054 7.325 0.791 1.00 0.00 C -ATOM 632 CD PRO A 37 8.149 8.728 1.335 1.00 0.00 C -ATOM 633 HA PRO A 37 5.754 7.464 3.114 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.959 5.640 1.533 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.959 6.935 0.875 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.936 6.761 1.056 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.928 7.345 -0.281 1.00 0.00 H -ATOM 638 HD2 PRO A 37 9.181 9.010 1.491 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.661 9.422 0.666 1.00 0.00 H -ATOM 640 N ARG A 38 8.781 6.829 4.042 1.00 0.00 N -ATOM 641 CA ARG A 38 9.613 6.150 5.014 1.00 0.00 C -ATOM 642 C ARG A 38 9.375 6.638 6.448 1.00 0.00 C -ATOM 643 O ARG A 38 10.225 7.250 7.076 1.00 0.00 O -ATOM 644 CB ARG A 38 11.111 6.130 4.599 1.00 0.00 C -ATOM 645 CG ARG A 38 11.625 7.388 3.875 1.00 0.00 C -ATOM 646 CD ARG A 38 11.515 8.654 4.706 1.00 0.00 C -ATOM 647 NE ARG A 38 12.021 9.816 3.986 1.00 0.00 N -ATOM 648 CZ ARG A 38 11.950 11.086 4.402 1.00 0.00 C -ATOM 649 NH1 ARG A 38 11.377 11.382 5.567 1.00 0.00 N -ATOM 650 NH2 ARG A 38 12.450 12.056 3.644 1.00 0.00 N -ATOM 651 H ARG A 38 9.148 7.555 3.496 1.00 0.00 H -ATOM 652 HA ARG A 38 9.253 5.131 5.002 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.706 6.001 5.490 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.272 5.279 3.954 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.661 7.242 3.612 1.00 0.00 H -ATOM 656 HG3 ARG A 38 11.054 7.515 2.968 1.00 0.00 H -ATOM 657 HD2 ARG A 38 10.474 8.816 4.941 1.00 0.00 H -ATOM 658 HD3 ARG A 38 12.072 8.525 5.621 1.00 0.00 H -ATOM 659 HE ARG A 38 12.445 9.606 3.121 1.00 0.00 H -ATOM 660 HH11 ARG A 38 10.980 10.686 6.172 1.00 0.00 H -ATOM 661 HH12 ARG A 38 11.314 12.322 5.915 1.00 0.00 H -ATOM 662 HH21 ARG A 38 12.882 11.861 2.760 1.00 0.00 H -ATOM 663 HH22 ARG A 38 12.423 13.019 3.925 1.00 0.00 H -ATOM 664 N ILE A 39 8.176 6.431 6.898 1.00 0.00 N -ATOM 665 CA ILE A 39 7.760 6.785 8.228 1.00 0.00 C -ATOM 666 C ILE A 39 7.705 5.546 9.110 1.00 0.00 C -ATOM 667 O ILE A 39 7.005 4.584 8.799 1.00 0.00 O -ATOM 668 CB ILE A 39 6.374 7.497 8.203 1.00 0.00 C -ATOM 669 CG1 ILE A 39 6.504 8.884 7.575 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.759 7.586 9.589 1.00 0.00 C -ATOM 671 CD1 ILE A 39 5.193 9.633 7.430 1.00 0.00 C -ATOM 672 H ILE A 39 7.534 6.019 6.278 1.00 0.00 H -ATOM 673 HA ILE A 39 8.490 7.469 8.632 1.00 0.00 H -ATOM 674 HB ILE A 39 5.711 6.907 7.587 1.00 0.00 H -ATOM 675 HG12 ILE A 39 7.152 9.477 8.203 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.948 8.791 6.594 1.00 0.00 H -ATOM 677 HG21 ILE A 39 4.819 8.114 9.527 1.00 0.00 H -ATOM 678 HG22 ILE A 39 6.439 8.100 10.250 1.00 0.00 H -ATOM 679 HG23 ILE A 39 5.583 6.589 9.966 1.00 0.00 H -ATOM 680 HD11 ILE A 39 4.746 9.761 8.404 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.525 9.067 6.798 1.00 0.00 H -ATOM 682 HD13 ILE A 39 5.381 10.600 6.988 1.00 0.00 H -ATOM 683 N GLU A 40 8.427 5.597 10.211 1.00 0.00 N -ATOM 684 CA GLU A 40 8.501 4.518 11.195 1.00 0.00 C -ATOM 685 C GLU A 40 7.118 4.119 11.725 1.00 0.00 C -ATOM 686 O GLU A 40 6.837 2.943 11.941 1.00 0.00 O -ATOM 687 CB GLU A 40 9.447 4.885 12.368 1.00 0.00 C -ATOM 688 CG GLU A 40 9.054 6.113 13.216 1.00 0.00 C -ATOM 689 CD GLU A 40 9.097 7.429 12.471 1.00 0.00 C -ATOM 690 OE1 GLU A 40 10.207 7.949 12.209 1.00 0.00 O -ATOM 691 OE2 GLU A 40 8.027 7.946 12.108 1.00 0.00 O -ATOM 692 H GLU A 40 8.957 6.409 10.366 1.00 0.00 H -ATOM 693 HA GLU A 40 8.916 3.659 10.688 1.00 0.00 H -ATOM 694 HB2 GLU A 40 9.509 4.038 13.034 1.00 0.00 H -ATOM 695 HB3 GLU A 40 10.429 5.065 11.958 1.00 0.00 H -ATOM 696 HG2 GLU A 40 8.035 5.961 13.539 1.00 0.00 H -ATOM 697 HG3 GLU A 40 9.704 6.169 14.076 1.00 0.00 H -ATOM 698 N ALA A 41 6.249 5.101 11.873 1.00 0.00 N -ATOM 699 CA ALA A 41 4.889 4.889 12.387 1.00 0.00 C -ATOM 700 C ALA A 41 4.004 4.187 11.353 1.00 0.00 C -ATOM 701 O ALA A 41 2.940 3.654 11.671 1.00 0.00 O -ATOM 702 CB ALA A 41 4.272 6.217 12.794 1.00 0.00 C -ATOM 703 H ALA A 41 6.559 6.002 11.639 1.00 0.00 H -ATOM 704 HA ALA A 41 4.962 4.263 13.263 1.00 0.00 H -ATOM 705 HB1 ALA A 41 4.903 6.702 13.524 1.00 0.00 H -ATOM 706 HB2 ALA A 41 3.292 6.046 13.214 1.00 0.00 H -ATOM 707 HB3 ALA A 41 4.184 6.845 11.918 1.00 0.00 H -ATOM 708 N ASN A 42 4.444 4.180 10.123 1.00 0.00 N -ATOM 709 CA ASN A 42 3.687 3.541 9.071 1.00 0.00 C -ATOM 710 C ASN A 42 4.330 2.232 8.705 1.00 0.00 C -ATOM 711 O ASN A 42 3.770 1.461 7.970 1.00 0.00 O -ATOM 712 CB ASN A 42 3.589 4.420 7.799 1.00 0.00 C -ATOM 713 CG ASN A 42 2.811 5.714 7.977 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.899 5.813 8.791 1.00 0.00 O -ATOM 715 ND2 ASN A 42 3.160 6.716 7.213 1.00 0.00 N -ATOM 716 H ASN A 42 5.312 4.585 9.912 1.00 0.00 H -ATOM 717 HA ASN A 42 2.690 3.354 9.439 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.587 4.681 7.478 1.00 0.00 H -ATOM 719 HB3 ASN A 42 3.115 3.840 7.022 1.00 0.00 H -ATOM 720 HD21 ASN A 42 3.894 6.587 6.579 1.00 0.00 H -ATOM 721 HD22 ASN A 42 2.671 7.565 7.289 1.00 0.00 H -ATOM 722 N LYS A 43 5.483 1.967 9.258 1.00 0.00 N -ATOM 723 CA LYS A 43 6.261 0.841 8.887 1.00 0.00 C -ATOM 724 C LYS A 43 5.882 -0.424 9.632 1.00 0.00 C -ATOM 725 O LYS A 43 5.592 -0.397 10.834 1.00 0.00 O -ATOM 726 CB LYS A 43 7.731 1.206 9.039 1.00 0.00 C -ATOM 727 CG LYS A 43 8.676 0.056 9.113 1.00 0.00 C -ATOM 728 CD LYS A 43 10.105 0.505 8.882 1.00 0.00 C -ATOM 729 CE LYS A 43 10.373 0.737 7.403 1.00 0.00 C -ATOM 730 NZ LYS A 43 11.722 1.265 7.135 1.00 0.00 N -ATOM 731 H LYS A 43 5.862 2.509 9.981 1.00 0.00 H -ATOM 732 HA LYS A 43 6.084 0.672 7.836 1.00 0.00 H -ATOM 733 HB2 LYS A 43 8.011 1.813 8.193 1.00 0.00 H -ATOM 734 HB3 LYS A 43 7.838 1.799 9.937 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.555 -0.333 10.112 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.374 -0.677 8.381 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.251 1.436 9.414 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.774 -0.252 9.256 1.00 0.00 H -ATOM 739 HE2 LYS A 43 10.269 -0.206 6.888 1.00 0.00 H -ATOM 740 HE3 LYS A 43 9.641 1.430 7.015 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 11.821 2.246 7.463 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 11.910 1.241 6.106 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.446 0.682 7.597 1.00 0.00 H -ATOM 744 N LEU A 44 5.853 -1.512 8.891 1.00 0.00 N -ATOM 745 CA LEU A 44 5.579 -2.831 9.418 1.00 0.00 C -ATOM 746 C LEU A 44 6.870 -3.440 9.911 1.00 0.00 C -ATOM 747 O LEU A 44 7.868 -3.481 9.173 1.00 0.00 O -ATOM 748 CB LEU A 44 5.008 -3.739 8.330 1.00 0.00 C -ATOM 749 CG LEU A 44 3.697 -3.317 7.683 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.308 -4.317 6.621 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.606 -3.222 8.713 1.00 0.00 C -ATOM 752 H LEU A 44 6.049 -1.416 7.931 1.00 0.00 H -ATOM 753 HA LEU A 44 4.870 -2.753 10.228 1.00 0.00 H -ATOM 754 HB2 LEU A 44 5.747 -3.805 7.546 1.00 0.00 H -ATOM 755 HB3 LEU A 44 4.876 -4.723 8.755 1.00 0.00 H -ATOM 756 HG LEU A 44 3.817 -2.349 7.216 1.00 0.00 H -ATOM 757 HD11 LEU A 44 2.371 -4.018 6.175 1.00 0.00 H -ATOM 758 HD12 LEU A 44 3.198 -5.292 7.071 1.00 0.00 H -ATOM 759 HD13 LEU A 44 4.071 -4.356 5.860 1.00 0.00 H -ATOM 760 HD21 LEU A 44 2.451 -4.194 9.158 1.00 0.00 H -ATOM 761 HD22 LEU A 44 1.699 -2.899 8.225 1.00 0.00 H -ATOM 762 HD23 LEU A 44 2.894 -2.515 9.475 1.00 0.00 H -ATOM 763 N ARG A 45 6.853 -3.920 11.115 1.00 0.00 N -ATOM 764 CA ARG A 45 8.018 -4.514 11.711 1.00 0.00 C -ATOM 765 C ARG A 45 8.256 -5.894 11.116 1.00 0.00 C -ATOM 766 O ARG A 45 7.409 -6.787 11.244 1.00 0.00 O -ATOM 767 CB ARG A 45 7.824 -4.660 13.211 1.00 0.00 C -ATOM 768 CG ARG A 45 9.016 -5.259 13.927 1.00 0.00 C -ATOM 769 CD ARG A 45 8.621 -5.802 15.280 1.00 0.00 C -ATOM 770 NE ARG A 45 7.623 -6.877 15.141 1.00 0.00 N -ATOM 771 CZ ARG A 45 7.651 -8.038 15.797 1.00 0.00 C -ATOM 772 NH1 ARG A 45 8.541 -8.242 16.765 1.00 0.00 N -ATOM 773 NH2 ARG A 45 6.773 -8.985 15.490 1.00 0.00 N -ATOM 774 H ARG A 45 6.018 -3.887 11.628 1.00 0.00 H -ATOM 775 HA ARG A 45 8.870 -3.878 11.526 1.00 0.00 H -ATOM 776 HB2 ARG A 45 7.628 -3.687 13.636 1.00 0.00 H -ATOM 777 HB3 ARG A 45 6.969 -5.297 13.379 1.00 0.00 H -ATOM 778 HG2 ARG A 45 9.413 -6.065 13.328 1.00 0.00 H -ATOM 779 HG3 ARG A 45 9.769 -4.495 14.054 1.00 0.00 H -ATOM 780 HD2 ARG A 45 9.499 -6.195 15.768 1.00 0.00 H -ATOM 781 HD3 ARG A 45 8.199 -5.007 15.873 1.00 0.00 H -ATOM 782 HE ARG A 45 6.914 -6.712 14.478 1.00 0.00 H -ATOM 783 HH11 ARG A 45 9.207 -7.543 17.031 1.00 0.00 H -ATOM 784 HH12 ARG A 45 8.603 -9.109 17.271 1.00 0.00 H -ATOM 785 HH21 ARG A 45 6.088 -8.842 14.767 1.00 0.00 H -ATOM 786 HH22 ARG A 45 6.763 -9.883 15.936 1.00 0.00 H -ATOM 787 N GLY A 46 9.366 -6.050 10.448 1.00 0.00 N -ATOM 788 CA GLY A 46 9.743 -7.337 9.925 1.00 0.00 C -ATOM 789 C GLY A 46 9.543 -7.445 8.437 1.00 0.00 C -ATOM 790 O GLY A 46 10.024 -8.388 7.804 1.00 0.00 O -ATOM 791 H GLY A 46 9.941 -5.270 10.291 1.00 0.00 H -ATOM 792 HA2 GLY A 46 10.785 -7.510 10.150 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.150 -8.096 10.413 1.00 0.00 H -ATOM 794 N MET A 47 8.861 -6.492 7.866 1.00 0.00 N -ATOM 795 CA MET A 47 8.588 -6.511 6.442 1.00 0.00 C -ATOM 796 C MET A 47 9.530 -5.557 5.735 1.00 0.00 C -ATOM 797 O MET A 47 9.763 -4.453 6.239 1.00 0.00 O -ATOM 798 CB MET A 47 7.136 -6.120 6.170 1.00 0.00 C -ATOM 799 CG MET A 47 6.102 -7.079 6.759 1.00 0.00 C -ATOM 800 SD MET A 47 6.195 -8.750 6.059 1.00 0.00 S -ATOM 801 CE MET A 47 5.758 -8.432 4.342 1.00 0.00 C -ATOM 802 H MET A 47 8.555 -5.737 8.411 1.00 0.00 H -ATOM 803 HA MET A 47 8.759 -7.516 6.085 1.00 0.00 H -ATOM 804 HB2 MET A 47 6.981 -5.135 6.584 1.00 0.00 H -ATOM 805 HB3 MET A 47 6.987 -6.066 5.103 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.262 -7.139 7.826 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.116 -6.679 6.572 1.00 0.00 H -ATOM 808 HE1 MET A 47 4.771 -7.994 4.298 1.00 0.00 H -ATOM 809 HE2 MET A 47 5.762 -9.359 3.790 1.00 0.00 H -ATOM 810 HE3 MET A 47 6.473 -7.751 3.904 1.00 0.00 H -ATOM 811 N PRO A 48 10.100 -5.956 4.575 1.00 0.00 N -ATOM 812 CA PRO A 48 11.064 -5.130 3.822 1.00 0.00 C -ATOM 813 C PRO A 48 10.460 -3.810 3.339 1.00 0.00 C -ATOM 814 O PRO A 48 9.749 -3.772 2.317 1.00 0.00 O -ATOM 815 CB PRO A 48 11.466 -6.013 2.635 1.00 0.00 C -ATOM 816 CG PRO A 48 10.364 -7.010 2.507 1.00 0.00 C -ATOM 817 CD PRO A 48 9.856 -7.248 3.899 1.00 0.00 C -ATOM 818 HA PRO A 48 11.933 -4.913 4.427 1.00 0.00 H -ATOM 819 HB2 PRO A 48 11.561 -5.405 1.748 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.407 -6.496 2.849 1.00 0.00 H -ATOM 821 HG2 PRO A 48 9.577 -6.604 1.887 1.00 0.00 H -ATOM 822 HG3 PRO A 48 10.742 -7.927 2.079 1.00 0.00 H -ATOM 823 HD2 PRO A 48 8.802 -7.484 3.879 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.412 -8.043 4.375 1.00 0.00 H -ATOM 825 N ASP A 49 10.681 -2.763 4.148 1.00 0.00 N -ATOM 826 CA ASP A 49 10.197 -1.395 3.909 1.00 0.00 C -ATOM 827 C ASP A 49 8.759 -1.347 3.493 1.00 0.00 C -ATOM 828 O ASP A 49 8.395 -0.655 2.544 1.00 0.00 O -ATOM 829 CB ASP A 49 11.084 -0.594 2.947 1.00 0.00 C -ATOM 830 CG ASP A 49 12.379 -0.175 3.585 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.353 0.609 4.558 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.458 -0.620 3.130 1.00 0.00 O -ATOM 833 H ASP A 49 11.199 -2.944 4.960 1.00 0.00 H -ATOM 834 HA ASP A 49 10.232 -0.906 4.872 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.301 -1.205 2.084 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.548 0.289 2.628 1.00 0.00 H -ATOM 837 N CYS A 50 7.937 -2.081 4.199 1.00 0.00 N -ATOM 838 CA CYS A 50 6.545 -2.082 3.915 1.00 0.00 C -ATOM 839 C CYS A 50 5.856 -1.182 4.908 1.00 0.00 C -ATOM 840 O CYS A 50 6.231 -1.138 6.095 1.00 0.00 O -ATOM 841 CB CYS A 50 5.997 -3.499 3.970 1.00 0.00 C -ATOM 842 SG CYS A 50 6.875 -4.651 2.885 1.00 0.00 S -ATOM 843 H CYS A 50 8.272 -2.621 4.944 1.00 0.00 H -ATOM 844 HA CYS A 50 6.401 -1.682 2.924 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.080 -3.868 4.982 1.00 0.00 H -ATOM 846 HB3 CYS A 50 4.960 -3.491 3.674 1.00 0.00 H -ATOM 847 HG CYS A 50 8.047 -4.088 2.607 1.00 0.00 H -ATOM 848 N TYR A 51 4.886 -0.467 4.438 1.00 0.00 N -ATOM 849 CA TYR A 51 4.193 0.501 5.222 1.00 0.00 C -ATOM 850 C TYR A 51 2.709 0.307 5.060 1.00 0.00 C -ATOM 851 O TYR A 51 2.246 -0.080 3.980 1.00 0.00 O -ATOM 852 CB TYR A 51 4.590 1.929 4.787 1.00 0.00 C -ATOM 853 CG TYR A 51 6.077 2.227 4.901 1.00 0.00 C -ATOM 854 CD1 TYR A 51 6.943 1.904 3.875 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.612 2.816 6.030 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.292 2.155 3.973 1.00 0.00 C -ATOM 857 CE2 TYR A 51 7.961 3.073 6.126 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.792 2.736 5.093 1.00 0.00 C -ATOM 859 OH TYR A 51 10.142 2.975 5.193 1.00 0.00 O -ATOM 860 H TYR A 51 4.612 -0.586 3.500 1.00 0.00 H -ATOM 861 HA TYR A 51 4.463 0.369 6.259 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.307 2.073 3.755 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.058 2.642 5.399 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.546 1.442 2.985 1.00 0.00 H -ATOM 865 HD2 TYR A 51 5.967 3.081 6.855 1.00 0.00 H -ATOM 866 HE1 TYR A 51 8.949 1.894 3.157 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.360 3.538 7.016 1.00 0.00 H -ATOM 868 HH TYR A 51 10.483 3.280 4.348 1.00 0.00 H -ATOM 869 N LYS A 52 1.975 0.561 6.114 1.00 0.00 N -ATOM 870 CA LYS A 52 0.546 0.420 6.091 1.00 0.00 C -ATOM 871 C LYS A 52 -0.110 1.762 6.302 1.00 0.00 C -ATOM 872 O LYS A 52 0.380 2.600 7.075 1.00 0.00 O -ATOM 873 CB LYS A 52 0.007 -0.596 7.156 1.00 0.00 C -ATOM 874 CG LYS A 52 -0.026 -0.124 8.644 1.00 0.00 C -ATOM 875 CD LYS A 52 1.357 0.110 9.234 1.00 0.00 C -ATOM 876 CE LYS A 52 1.319 0.509 10.712 1.00 0.00 C -ATOM 877 NZ LYS A 52 0.698 1.836 10.953 1.00 0.00 N -ATOM 878 H LYS A 52 2.429 0.881 6.926 1.00 0.00 H -ATOM 879 HA LYS A 52 0.276 0.061 5.109 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -1.003 -0.862 6.882 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.615 -1.486 7.098 1.00 0.00 H -ATOM 882 HG2 LYS A 52 -0.576 0.805 8.696 1.00 0.00 H -ATOM 883 HG3 LYS A 52 -0.540 -0.872 9.229 1.00 0.00 H -ATOM 884 HD2 LYS A 52 1.935 -0.795 9.131 1.00 0.00 H -ATOM 885 HD3 LYS A 52 1.837 0.900 8.674 1.00 0.00 H -ATOM 886 HE2 LYS A 52 0.771 -0.237 11.269 1.00 0.00 H -ATOM 887 HE3 LYS A 52 2.340 0.534 11.059 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 0.652 2.044 11.971 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 -0.280 1.889 10.607 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 1.228 2.615 10.517 1.00 0.00 H -ATOM 891 N ILE A 53 -1.165 1.983 5.600 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.987 3.139 5.802 1.00 0.00 C -ATOM 893 C ILE A 53 -3.368 2.640 6.138 1.00 0.00 C -ATOM 894 O ILE A 53 -3.826 1.656 5.553 1.00 0.00 O -ATOM 895 CB ILE A 53 -2.049 4.067 4.551 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.635 4.541 4.171 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -2.969 5.269 4.822 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.582 5.443 2.955 1.00 0.00 C -ATOM 899 H ILE A 53 -1.407 1.330 4.903 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.595 3.686 6.647 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.466 3.502 3.731 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.216 5.091 5.000 1.00 0.00 H -ATOM 903 HG13 ILE A 53 -0.018 3.676 3.978 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -3.009 5.905 3.951 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.595 5.847 5.655 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.969 4.932 5.055 1.00 0.00 H -ATOM 907 HD11 ILE A 53 0.446 5.699 2.743 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -1.137 6.345 3.163 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -1.015 4.936 2.106 1.00 0.00 H -ATOM 910 N LYS A 54 -4.001 3.265 7.086 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.316 2.868 7.484 1.00 0.00 C -ATOM 912 C LYS A 54 -6.290 3.996 7.275 1.00 0.00 C -ATOM 913 O LYS A 54 -6.000 5.155 7.605 1.00 0.00 O -ATOM 914 CB LYS A 54 -5.388 2.283 8.926 1.00 0.00 C -ATOM 915 CG LYS A 54 -5.161 3.246 10.084 1.00 0.00 C -ATOM 916 CD LYS A 54 -3.775 3.847 10.094 1.00 0.00 C -ATOM 917 CE LYS A 54 -3.601 4.698 11.292 1.00 0.00 C -ATOM 918 NZ LYS A 54 -2.268 5.336 11.334 1.00 0.00 N -ATOM 919 H LYS A 54 -3.584 4.046 7.499 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.590 2.092 6.794 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -6.366 1.846 9.065 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.658 1.489 8.998 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -5.879 4.050 10.008 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -5.321 2.712 11.010 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -3.026 3.071 10.089 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -3.657 4.475 9.225 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -4.379 5.442 11.209 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -3.764 4.073 12.155 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -1.503 4.638 11.242 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -2.130 5.808 12.249 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -2.160 6.059 10.596 1.00 0.00 H -ATOM 932 N LEU A 55 -7.398 3.679 6.678 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.433 4.642 6.411 1.00 0.00 C -ATOM 934 C LEU A 55 -9.265 4.732 7.683 1.00 0.00 C -ATOM 935 O LEU A 55 -9.870 3.739 8.089 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.272 4.146 5.219 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.974 5.202 4.346 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -10.659 4.531 3.188 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -10.978 6.020 5.124 1.00 0.00 C -ATOM 940 H LEU A 55 -7.517 2.738 6.416 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.984 5.597 6.186 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.625 3.569 4.577 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -10.030 3.482 5.608 1.00 0.00 H -ATOM 944 HG LEU A 55 -9.224 5.866 3.941 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -11.376 3.817 3.563 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -9.928 4.024 2.576 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -11.176 5.271 2.596 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.748 5.372 5.516 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -11.417 6.748 4.456 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -10.472 6.520 5.935 1.00 0.00 H -ATOM 951 N ARG A 56 -9.286 5.912 8.282 1.00 0.00 N -ATOM 952 CA ARG A 56 -9.861 6.149 9.612 1.00 0.00 C -ATOM 953 C ARG A 56 -11.295 5.628 9.778 1.00 0.00 C -ATOM 954 O ARG A 56 -11.558 4.823 10.671 1.00 0.00 O -ATOM 955 CB ARG A 56 -9.779 7.642 9.970 1.00 0.00 C -ATOM 956 CG ARG A 56 -10.227 7.999 11.388 1.00 0.00 C -ATOM 957 CD ARG A 56 -9.327 7.365 12.443 1.00 0.00 C -ATOM 958 NE ARG A 56 -7.921 7.772 12.283 1.00 0.00 N -ATOM 959 CZ ARG A 56 -6.942 7.538 13.164 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -7.201 6.933 14.325 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -5.708 7.925 12.884 1.00 0.00 N -ATOM 962 H ARG A 56 -8.899 6.680 7.807 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.238 5.614 10.313 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -8.756 7.967 9.855 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -10.396 8.192 9.277 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -10.200 9.072 11.508 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -11.237 7.647 11.529 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -9.668 7.676 13.420 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -9.392 6.289 12.367 1.00 0.00 H -ATOM 970 HE ARG A 56 -7.703 8.251 11.449 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -8.122 6.638 14.594 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -6.489 6.739 15.005 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -5.506 8.386 12.012 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -4.931 7.809 13.508 1.00 0.00 H -ATOM 975 N SER A 57 -12.208 6.076 8.946 1.00 0.00 N -ATOM 976 CA SER A 57 -13.592 5.667 9.096 1.00 0.00 C -ATOM 977 C SER A 57 -13.830 4.242 8.597 1.00 0.00 C -ATOM 978 O SER A 57 -14.354 3.400 9.335 1.00 0.00 O -ATOM 979 CB SER A 57 -14.536 6.649 8.394 1.00 0.00 C -ATOM 980 OG SER A 57 -15.893 6.311 8.631 1.00 0.00 O -ATOM 981 H SER A 57 -11.956 6.715 8.244 1.00 0.00 H -ATOM 982 HA SER A 57 -13.812 5.684 10.152 1.00 0.00 H -ATOM 983 HB2 SER A 57 -14.364 7.650 8.758 1.00 0.00 H -ATOM 984 HB3 SER A 57 -14.354 6.617 7.330 1.00 0.00 H -ATOM 985 HG SER A 57 -16.255 7.004 9.198 1.00 0.00 H -ATOM 986 N SER A 58 -13.438 3.976 7.367 1.00 0.00 N -ATOM 987 CA SER A 58 -13.698 2.707 6.717 1.00 0.00 C -ATOM 988 C SER A 58 -12.999 1.513 7.407 1.00 0.00 C -ATOM 989 O SER A 58 -13.545 0.409 7.439 1.00 0.00 O -ATOM 990 CB SER A 58 -13.258 2.819 5.279 1.00 0.00 C -ATOM 991 OG SER A 58 -13.728 4.030 4.726 1.00 0.00 O -ATOM 992 H SER A 58 -12.982 4.659 6.833 1.00 0.00 H -ATOM 993 HA SER A 58 -14.765 2.539 6.725 1.00 0.00 H -ATOM 994 HB2 SER A 58 -12.181 2.801 5.232 1.00 0.00 H -ATOM 995 HB3 SER A 58 -13.664 1.996 4.709 1.00 0.00 H -ATOM 996 HG SER A 58 -14.657 3.922 4.492 1.00 0.00 H -ATOM 997 N GLY A 59 -11.806 1.734 7.945 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.096 0.661 8.603 1.00 0.00 C -ATOM 999 C GLY A 59 -10.362 -0.230 7.622 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.137 -1.423 7.879 1.00 0.00 O -ATOM 1001 H GLY A 59 -11.397 2.628 7.927 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.387 1.077 9.303 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.815 0.061 9.136 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.007 0.325 6.500 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.269 -0.406 5.495 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.799 -0.138 5.650 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.406 0.930 6.123 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.725 -0.045 4.081 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.049 -0.654 3.667 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.240 -0.247 4.237 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.099 -1.632 2.684 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.442 -0.791 3.846 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.302 -2.177 2.282 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.468 -1.751 2.865 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.671 -2.280 2.459 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.223 1.268 6.356 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.449 -1.459 5.663 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -9.822 1.028 4.009 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -8.972 -0.376 3.380 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.214 0.507 5.009 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.179 -1.963 2.227 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.361 -0.458 4.304 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.323 -2.938 1.516 1.00 0.00 H -ATOM 1024 HH TYR A 60 -14.544 -3.226 2.302 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.001 -1.096 5.282 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.567 -0.999 5.372 1.00 0.00 C -ATOM 1027 C ARG A 61 -4.955 -1.237 4.005 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.439 -2.070 3.237 1.00 0.00 O -ATOM 1029 CB ARG A 61 -4.964 -2.009 6.381 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.135 -1.699 7.882 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.568 -1.832 8.403 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.601 -1.672 9.866 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -7.648 -1.932 10.686 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -8.851 -2.218 10.199 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.489 -1.849 11.991 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.383 -1.904 4.867 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.323 0.004 5.691 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.416 -2.971 6.199 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -3.907 -2.091 6.172 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.512 -2.377 8.446 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -4.792 -0.690 8.058 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -7.181 -1.070 7.944 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.951 -2.809 8.148 1.00 0.00 H -ATOM 1044 HE ARG A 61 -5.740 -1.382 10.249 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -9.059 -2.243 9.219 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -9.624 -2.435 10.808 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -6.613 -1.599 12.410 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -8.237 -2.024 12.640 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.934 -0.503 3.703 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.213 -0.640 2.463 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.747 -0.833 2.809 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.218 -0.095 3.640 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.448 0.625 1.593 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.901 0.633 0.143 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.569 1.736 -0.648 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.397 0.851 0.110 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.640 0.182 4.345 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.579 -1.514 1.946 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.514 0.793 1.539 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.008 1.460 2.118 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.128 -0.308 -0.337 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.371 2.690 -0.184 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -4.634 1.556 -0.669 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.187 1.731 -1.658 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.055 0.883 -0.914 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -0.911 0.037 0.629 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.164 1.780 0.606 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.108 -1.826 2.207 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.290 -2.116 2.481 1.00 0.00 C -ATOM 1070 C VAL A 63 1.115 -2.048 1.191 1.00 0.00 C -ATOM 1071 O VAL A 63 0.837 -2.762 0.200 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.474 -3.513 3.162 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.944 -3.797 3.457 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.332 -3.599 4.450 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.563 -2.386 1.537 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.648 -1.353 3.156 1.00 0.00 H -ATOM 1077 HB VAL A 63 0.114 -4.272 2.483 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.035 -4.768 3.923 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.315 -3.052 4.146 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 2.518 -3.772 2.544 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.013 -2.817 5.125 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.161 -4.559 4.916 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -1.384 -3.482 4.232 1.00 0.00 H -ATOM 1084 N TYR A 64 2.112 -1.205 1.206 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.998 -1.014 0.080 1.00 0.00 C -ATOM 1086 C TYR A 64 4.425 -1.062 0.563 1.00 0.00 C -ATOM 1087 O TYR A 64 4.674 -0.856 1.743 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.723 0.343 -0.620 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.939 1.580 0.244 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.202 2.143 0.393 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.880 2.179 0.903 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.398 3.254 1.175 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 2.068 3.296 1.683 1.00 0.00 C -ATOM 1094 CZ TYR A 64 3.331 3.827 1.816 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.529 4.922 2.609 1.00 0.00 O -ATOM 1096 H TYR A 64 2.279 -0.695 2.031 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.847 -1.810 -0.635 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.364 0.435 -1.484 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.695 0.346 -0.950 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 5.041 1.688 -0.114 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.894 1.755 0.795 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.384 3.681 1.278 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 1.223 3.751 2.179 1.00 0.00 H -ATOM 1104 HH TYR A 64 3.064 4.781 3.436 1.00 0.00 H -ATOM 1105 N GLN A 65 5.341 -1.347 -0.311 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.732 -1.288 0.038 1.00 0.00 C -ATOM 1107 C GLN A 65 7.394 -0.175 -0.723 1.00 0.00 C -ATOM 1108 O GLN A 65 7.090 0.059 -1.895 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.478 -2.607 -0.185 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.449 -3.134 -1.609 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.432 -4.267 -1.837 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 8.920 -4.457 -2.946 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 8.779 -4.989 -0.791 1.00 0.00 N -ATOM 1114 H GLN A 65 5.076 -1.588 -1.228 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.782 -1.026 1.084 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.512 -2.469 0.094 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 7.046 -3.358 0.460 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.453 -3.488 -1.831 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.695 -2.320 -2.277 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 8.398 -4.769 0.086 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.419 -5.716 -0.939 1.00 0.00 H -ATOM 1122 N VAL A 66 8.252 0.522 -0.067 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.961 1.601 -0.683 1.00 0.00 C -ATOM 1124 C VAL A 66 10.217 1.070 -1.315 1.00 0.00 C -ATOM 1125 O VAL A 66 11.119 0.598 -0.619 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.316 2.718 0.338 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 10.189 3.794 -0.291 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 8.059 3.343 0.885 1.00 0.00 C -ATOM 1129 H VAL A 66 8.430 0.281 0.871 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.331 2.021 -1.453 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.859 2.273 1.160 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 11.103 3.343 -0.648 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 10.422 4.540 0.455 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.663 4.254 -1.114 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.442 2.577 1.331 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.514 3.844 0.100 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 8.332 4.059 1.646 1.00 0.00 H -ATOM 1138 N ILE A 67 10.266 1.099 -2.618 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.450 0.708 -3.302 1.00 0.00 C -ATOM 1140 C ILE A 67 12.175 1.985 -3.643 1.00 0.00 C -ATOM 1141 O ILE A 67 11.871 2.649 -4.644 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.156 -0.068 -4.604 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.102 -1.156 -4.360 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.452 -0.701 -5.114 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.650 -1.857 -5.622 1.00 0.00 C -ATOM 1146 H ILE A 67 9.497 1.400 -3.152 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.054 0.109 -2.638 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.793 0.626 -5.348 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.506 -1.896 -3.687 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.236 -0.704 -3.902 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 13.176 0.073 -5.319 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 12.249 -1.256 -6.018 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 12.845 -1.371 -4.362 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 9.229 -1.128 -6.299 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 8.906 -2.600 -5.377 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 10.499 -2.332 -6.091 1.00 0.00 H -ATOM 1157 N ASP A 68 13.100 2.349 -2.804 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.823 3.603 -2.949 1.00 0.00 C -ATOM 1159 C ASP A 68 14.759 3.539 -4.132 1.00 0.00 C -ATOM 1160 O ASP A 68 14.968 4.540 -4.823 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.576 3.945 -1.664 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.338 5.253 -1.746 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 16.496 5.250 -2.232 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 14.807 6.297 -1.289 1.00 0.00 O -ATOM 1165 H ASP A 68 13.318 1.746 -2.061 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.098 4.375 -3.148 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 13.866 4.019 -0.854 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.273 3.150 -1.448 1.00 0.00 H -ATOM 1169 N GLU A 69 15.267 2.342 -4.396 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.145 2.098 -5.532 1.00 0.00 C -ATOM 1171 C GLU A 69 15.450 2.422 -6.847 1.00 0.00 C -ATOM 1172 O GLU A 69 16.064 2.917 -7.776 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.594 0.645 -5.574 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.432 0.195 -4.401 1.00 0.00 C -ATOM 1175 CD GLU A 69 17.949 -1.203 -4.604 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 19.022 -1.356 -5.217 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 17.283 -2.173 -4.181 1.00 0.00 O -ATOM 1178 H GLU A 69 15.061 1.608 -3.778 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.018 2.724 -5.423 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.716 0.018 -5.609 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.161 0.492 -6.478 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 18.272 0.866 -4.296 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 16.831 0.221 -3.503 1.00 0.00 H -ATOM 1184 N LYS A 70 14.166 2.150 -6.912 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.415 2.360 -8.134 1.00 0.00 C -ATOM 1186 C LYS A 70 12.537 3.605 -8.030 1.00 0.00 C -ATOM 1187 O LYS A 70 11.847 3.965 -8.975 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.597 1.107 -8.466 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.467 -0.131 -8.674 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.646 -1.388 -8.911 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.555 -2.605 -9.033 1.00 0.00 C -ATOM 1192 NZ LYS A 70 12.802 -3.862 -9.163 1.00 0.00 N -ATOM 1193 H LYS A 70 13.715 1.807 -6.114 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.136 2.523 -8.921 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 11.922 0.909 -7.647 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.028 1.280 -9.367 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.106 0.032 -9.528 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.079 -0.270 -7.795 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 11.960 -1.535 -8.092 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.089 -1.274 -9.830 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 14.178 -2.488 -9.906 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 14.183 -2.655 -8.156 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 12.189 -4.016 -8.334 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 13.444 -4.677 -9.224 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 12.198 -3.860 -10.008 1.00 0.00 H -ATOM 1206 N VAL A 71 12.587 4.254 -6.856 1.00 0.00 N -ATOM 1207 CA VAL A 71 11.855 5.511 -6.561 1.00 0.00 C -ATOM 1208 C VAL A 71 10.319 5.296 -6.736 1.00 0.00 C -ATOM 1209 O VAL A 71 9.557 6.197 -7.078 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.389 6.702 -7.459 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 11.841 8.057 -7.005 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 13.916 6.742 -7.457 1.00 0.00 C -ATOM 1213 H VAL A 71 13.147 3.877 -6.146 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.037 5.738 -5.521 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.059 6.529 -8.472 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 10.765 8.052 -7.076 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.240 8.835 -7.637 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.135 8.242 -5.982 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.303 5.811 -7.846 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.268 6.881 -6.447 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.256 7.562 -8.073 1.00 0.00 H -ATOM 1222 N VAL A 72 9.871 4.113 -6.425 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.483 3.774 -6.594 1.00 0.00 C -ATOM 1224 C VAL A 72 8.011 2.958 -5.403 1.00 0.00 C -ATOM 1225 O VAL A 72 8.777 2.165 -4.842 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.244 2.997 -7.944 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 8.997 1.683 -7.997 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 6.768 2.775 -8.226 1.00 0.00 C -ATOM 1229 H VAL A 72 10.477 3.447 -6.032 1.00 0.00 H -ATOM 1230 HA VAL A 72 7.919 4.696 -6.623 1.00 0.00 H -ATOM 1231 HB VAL A 72 8.649 3.603 -8.740 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 8.791 1.207 -8.945 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 8.670 1.048 -7.186 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 10.055 1.880 -7.912 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.262 3.728 -8.286 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.334 2.188 -7.430 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.656 2.248 -9.162 1.00 0.00 H -ATOM 1238 N VAL A 73 6.810 3.202 -4.959 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.256 2.433 -3.933 1.00 0.00 C -ATOM 1240 C VAL A 73 5.356 1.384 -4.567 1.00 0.00 C -ATOM 1241 O VAL A 73 4.517 1.685 -5.434 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.512 3.286 -2.867 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 6.418 4.358 -2.293 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 4.222 3.894 -3.376 1.00 0.00 C -ATOM 1245 H VAL A 73 6.237 3.908 -5.328 1.00 0.00 H -ATOM 1246 HA VAL A 73 7.080 1.914 -3.463 1.00 0.00 H -ATOM 1247 HB VAL A 73 5.280 2.595 -2.079 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 6.702 5.049 -3.073 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 7.309 3.891 -1.899 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 5.903 4.887 -1.504 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 3.556 3.086 -3.647 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 4.424 4.507 -4.242 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 3.767 4.487 -2.597 1.00 0.00 H -ATOM 1254 N PHE A 74 5.575 0.178 -4.199 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.879 -0.931 -4.766 1.00 0.00 C -ATOM 1256 C PHE A 74 3.818 -1.403 -3.802 1.00 0.00 C -ATOM 1257 O PHE A 74 4.134 -1.921 -2.730 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.905 -2.039 -5.069 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.347 -3.327 -5.600 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.891 -3.419 -6.899 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 5.310 -4.455 -4.800 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.406 -4.610 -7.389 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.823 -5.648 -5.283 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.372 -5.725 -6.579 1.00 0.00 C -ATOM 1265 H PHE A 74 6.232 0.014 -3.485 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.421 -0.619 -5.693 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.605 -1.670 -5.803 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.447 -2.256 -4.160 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 4.916 -2.545 -7.532 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.666 -4.392 -3.782 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.051 -4.675 -8.406 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.795 -6.520 -4.647 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.993 -6.661 -6.963 1.00 0.00 H -ATOM 1274 N VAL A 75 2.571 -1.181 -4.151 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.473 -1.637 -3.338 1.00 0.00 C -ATOM 1276 C VAL A 75 1.344 -3.123 -3.548 1.00 0.00 C -ATOM 1277 O VAL A 75 1.138 -3.585 -4.679 1.00 0.00 O -ATOM 1278 CB VAL A 75 0.140 -0.923 -3.704 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.005 -1.403 -2.812 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.295 0.593 -3.603 1.00 0.00 C -ATOM 1281 H VAL A 75 2.392 -0.697 -4.990 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.715 -1.446 -2.304 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.109 -1.171 -4.725 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.145 -2.466 -2.946 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -1.918 -0.885 -3.072 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -0.762 -1.204 -1.778 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 -0.636 1.065 -3.878 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 1.078 0.922 -4.271 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.551 0.866 -2.591 1.00 0.00 H -ATOM 1290 N ILE A 76 1.466 -3.865 -2.481 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.483 -5.301 -2.578 1.00 0.00 C -ATOM 1292 C ILE A 76 0.089 -5.840 -2.344 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.369 -6.750 -3.033 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.439 -5.926 -1.525 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.802 -5.217 -1.536 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.628 -7.412 -1.824 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.750 -5.687 -0.450 1.00 0.00 C -ATOM 1298 H ILE A 76 1.542 -3.433 -1.602 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.823 -5.578 -3.564 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.992 -5.824 -0.548 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.280 -5.402 -2.487 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.652 -4.155 -1.415 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 1.674 -7.916 -1.767 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 3.311 -7.835 -1.103 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 3.041 -7.529 -2.816 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 5.683 -5.149 -0.520 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.934 -6.746 -0.568 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 4.303 -5.509 0.517 1.00 0.00 H -ATOM 1309 N SER A 77 -0.588 -5.281 -1.369 1.00 0.00 N -ATOM 1310 CA SER A 77 -1.917 -5.707 -1.016 1.00 0.00 C -ATOM 1311 C SER A 77 -2.681 -4.557 -0.387 1.00 0.00 C -ATOM 1312 O SER A 77 -2.079 -3.633 0.185 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.855 -6.922 -0.075 1.00 0.00 C -ATOM 1314 OG SER A 77 -1.232 -8.030 -0.725 1.00 0.00 O -ATOM 1315 H SER A 77 -0.204 -4.537 -0.853 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.417 -5.998 -1.928 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.282 -6.669 0.804 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.856 -7.208 0.212 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.822 -7.673 -1.527 1.00 0.00 H -ATOM 1320 N VAL A 78 -3.977 -4.595 -0.509 1.00 0.00 N -ATOM 1321 CA VAL A 78 -4.834 -3.555 -0.003 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.161 -4.182 0.398 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.544 -5.196 -0.153 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.041 -2.427 -1.078 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.664 -2.968 -2.352 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -5.861 -1.272 -0.535 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.416 -5.365 -0.934 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.363 -3.132 0.872 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.061 -2.053 -1.340 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -5.019 -3.724 -2.775 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.791 -2.164 -3.063 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -6.626 -3.403 -2.126 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.358 -0.853 0.324 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -6.840 -1.625 -0.248 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -5.958 -0.515 -1.298 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.799 -3.650 1.391 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.076 -4.157 1.772 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.238 -4.158 3.253 1.00 0.00 C -ATOM 1339 O GLY A 79 -8.287 -3.100 3.883 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.394 -2.919 1.911 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.842 -3.538 1.330 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.179 -5.167 1.404 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.290 -5.313 3.833 1.00 0.00 N -ATOM 1344 CA LYS A 80 -8.476 -5.406 5.245 1.00 0.00 C -ATOM 1345 C LYS A 80 -7.382 -6.209 5.888 1.00 0.00 C -ATOM 1346 O LYS A 80 -6.886 -7.186 5.320 1.00 0.00 O -ATOM 1347 CB LYS A 80 -9.837 -6.008 5.587 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.024 -5.182 5.110 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.343 -5.837 5.477 1.00 0.00 C -ATOM 1350 CE LYS A 80 -12.531 -5.930 6.986 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -13.783 -6.622 7.355 1.00 0.00 N -ATOM 1352 H LYS A 80 -8.184 -6.135 3.308 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.446 -4.403 5.641 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -9.906 -6.990 5.142 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -9.894 -6.104 6.661 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -10.981 -4.205 5.569 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -10.966 -5.077 4.037 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -13.145 -5.243 5.062 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -12.369 -6.830 5.053 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -11.704 -6.468 7.423 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -12.558 -4.924 7.378 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -14.610 -6.152 6.939 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -13.895 -6.631 8.391 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -13.756 -7.610 7.034 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.002 -5.777 7.047 1.00 0.00 N -ATOM 1366 CA ALA A 81 -6.046 -6.448 7.859 1.00 0.00 C -ATOM 1367 C ALA A 81 -6.705 -6.657 9.182 1.00 0.00 C -ATOM 1368 O ALA A 81 -7.090 -5.686 9.840 1.00 0.00 O -ATOM 1369 CB ALA A 81 -4.791 -5.604 8.018 1.00 0.00 C -ATOM 1370 H ALA A 81 -7.400 -4.966 7.422 1.00 0.00 H -ATOM 1371 HA ALA A 81 -5.798 -7.397 7.409 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -5.057 -4.645 8.438 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -4.329 -5.458 7.054 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -4.098 -6.105 8.678 1.00 0.00 H -ATOM 1375 N GLU A 82 -6.902 -7.881 9.537 1.00 0.00 N -ATOM 1376 CA GLU A 82 -7.567 -8.207 10.757 1.00 0.00 C -ATOM 1377 C GLU A 82 -6.710 -9.157 11.589 1.00 0.00 C -ATOM 1378 O GLU A 82 -6.690 -9.067 12.817 1.00 0.00 O -ATOM 1379 CB GLU A 82 -8.946 -8.793 10.447 1.00 0.00 C -ATOM 1380 CG GLU A 82 -9.819 -9.040 11.658 1.00 0.00 C -ATOM 1381 CD GLU A 82 -11.213 -9.442 11.275 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -12.057 -8.553 11.059 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -11.493 -10.657 11.179 1.00 0.00 O -ATOM 1384 H GLU A 82 -6.600 -8.616 8.949 1.00 0.00 H -ATOM 1385 HA GLU A 82 -7.696 -7.292 11.313 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -9.472 -8.113 9.794 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -8.810 -9.731 9.929 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -9.379 -9.830 12.249 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -9.865 -8.136 12.247 1.00 0.00 H -ATOM 1390 N ALA A 83 -5.990 -10.044 10.933 1.00 0.00 N -ATOM 1391 CA ALA A 83 -5.106 -10.955 11.637 1.00 0.00 C -ATOM 1392 C ALA A 83 -3.690 -10.912 11.068 1.00 0.00 C -ATOM 1393 O ALA A 83 -2.775 -10.412 11.727 1.00 0.00 O -ATOM 1394 CB ALA A 83 -5.655 -12.376 11.658 1.00 0.00 C -ATOM 1395 H ALA A 83 -6.062 -10.094 9.950 1.00 0.00 H -ATOM 1396 HA ALA A 83 -5.051 -10.598 12.656 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -5.671 -12.768 10.652 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -6.658 -12.365 12.057 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -5.028 -12.999 12.278 1.00 0.00 H -ATOM 1400 N SER A 84 -3.499 -11.408 9.856 1.00 0.00 N -ATOM 1401 CA SER A 84 -2.162 -11.420 9.263 1.00 0.00 C -ATOM 1402 C SER A 84 -2.259 -11.561 7.728 1.00 0.00 C -ATOM 1403 O SER A 84 -1.298 -11.960 7.043 1.00 0.00 O -ATOM 1404 CB SER A 84 -1.333 -12.575 9.883 1.00 0.00 C -ATOM 1405 OG SER A 84 0.051 -12.477 9.560 1.00 0.00 O -ATOM 1406 H SER A 84 -4.272 -11.778 9.367 1.00 0.00 H -ATOM 1407 HA SER A 84 -1.702 -10.478 9.520 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -1.434 -12.537 10.957 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -1.713 -13.519 9.521 1.00 0.00 H -ATOM 1410 HG SER A 84 0.536 -12.375 10.387 1.00 0.00 H -ATOM 1411 N GLU A 85 -3.396 -11.153 7.194 1.00 0.00 N -ATOM 1412 CA GLU A 85 -3.727 -11.295 5.777 1.00 0.00 C -ATOM 1413 C GLU A 85 -2.739 -10.528 4.924 1.00 0.00 C -ATOM 1414 O GLU A 85 -2.091 -11.084 4.041 1.00 0.00 O -ATOM 1415 CB GLU A 85 -5.148 -10.749 5.487 1.00 0.00 C -ATOM 1416 CG GLU A 85 -6.303 -11.372 6.284 1.00 0.00 C -ATOM 1417 CD GLU A 85 -6.174 -11.137 7.763 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -6.123 -9.989 8.190 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -5.978 -12.100 8.511 1.00 0.00 O -ATOM 1420 H GLU A 85 -4.082 -10.733 7.758 1.00 0.00 H -ATOM 1421 HA GLU A 85 -3.701 -12.343 5.519 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -5.152 -9.688 5.691 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -5.344 -10.894 4.437 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -7.231 -10.936 5.948 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -6.321 -12.436 6.099 1.00 0.00 H -ATOM 1426 N VAL A 86 -2.559 -9.267 5.265 1.00 0.00 N -ATOM 1427 CA VAL A 86 -1.705 -8.375 4.497 1.00 0.00 C -ATOM 1428 C VAL A 86 -0.219 -8.661 4.705 1.00 0.00 C -ATOM 1429 O VAL A 86 0.611 -8.083 4.051 1.00 0.00 O -ATOM 1430 CB VAL A 86 -2.003 -6.882 4.794 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -3.440 -6.536 4.425 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -1.720 -6.544 6.258 1.00 0.00 C -ATOM 1433 H VAL A 86 -3.033 -8.921 6.048 1.00 0.00 H -ATOM 1434 HA VAL A 86 -1.929 -8.556 3.456 1.00 0.00 H -ATOM 1435 HB VAL A 86 -1.359 -6.282 4.169 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -4.116 -7.150 5.000 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -3.595 -6.715 3.372 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -3.627 -5.494 4.642 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -1.931 -5.500 6.434 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -0.683 -6.748 6.480 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -2.348 -7.151 6.892 1.00 0.00 H -ATOM 1442 N TYR A 87 0.102 -9.527 5.641 1.00 0.00 N -ATOM 1443 CA TYR A 87 1.482 -9.902 5.862 1.00 0.00 C -ATOM 1444 C TYR A 87 1.817 -11.132 5.048 1.00 0.00 C -ATOM 1445 O TYR A 87 2.773 -11.135 4.273 1.00 0.00 O -ATOM 1446 CB TYR A 87 1.769 -10.157 7.339 1.00 0.00 C -ATOM 1447 CG TYR A 87 1.618 -8.946 8.226 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 2.681 -8.077 8.430 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 0.427 -8.685 8.874 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 2.552 -6.979 9.253 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 0.288 -7.597 9.704 1.00 0.00 C -ATOM 1452 CZ TYR A 87 1.351 -6.746 9.891 1.00 0.00 C -ATOM 1453 OH TYR A 87 1.215 -5.662 10.733 1.00 0.00 O -ATOM 1454 H TYR A 87 -0.613 -9.936 6.169 1.00 0.00 H -ATOM 1455 HA TYR A 87 2.098 -9.085 5.517 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 1.087 -10.912 7.702 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 2.779 -10.521 7.441 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 3.617 -8.262 7.926 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 -0.404 -9.353 8.715 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 3.388 -6.310 9.390 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 -0.654 -7.413 10.199 1.00 0.00 H -ATOM 1462 HH TYR A 87 0.768 -5.981 11.531 1.00 0.00 H -ATOM 1463 N SER A 88 0.991 -12.154 5.202 1.00 0.00 N -ATOM 1464 CA SER A 88 1.192 -13.439 4.559 1.00 0.00 C -ATOM 1465 C SER A 88 1.173 -13.312 3.035 1.00 0.00 C -ATOM 1466 O SER A 88 2.106 -13.756 2.350 1.00 0.00 O -ATOM 1467 CB SER A 88 0.101 -14.401 5.022 1.00 0.00 C -ATOM 1468 OG SER A 88 0.016 -14.424 6.448 1.00 0.00 O -ATOM 1469 H SER A 88 0.207 -12.049 5.783 1.00 0.00 H -ATOM 1470 HA SER A 88 2.149 -13.838 4.858 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -0.850 -14.085 4.619 1.00 0.00 H -ATOM 1472 HB3 SER A 88 0.330 -15.396 4.671 1.00 0.00 H -ATOM 1473 HG SER A 88 -0.674 -13.802 6.715 1.00 0.00 H -ATOM 1474 N GLU A 89 0.152 -12.652 2.522 1.00 0.00 N -ATOM 1475 CA GLU A 89 -0.018 -12.510 1.092 1.00 0.00 C -ATOM 1476 C GLU A 89 1.060 -11.602 0.507 1.00 0.00 C -ATOM 1477 O GLU A 89 1.489 -11.781 -0.631 1.00 0.00 O -ATOM 1478 CB GLU A 89 -1.415 -11.968 0.783 1.00 0.00 C -ATOM 1479 CG GLU A 89 -2.548 -12.811 1.373 1.00 0.00 C -ATOM 1480 CD GLU A 89 -2.581 -14.232 0.855 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -1.834 -15.077 1.345 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -3.387 -14.522 -0.061 1.00 0.00 O -ATOM 1483 H GLU A 89 -0.523 -12.247 3.108 1.00 0.00 H -ATOM 1484 HA GLU A 89 0.081 -13.490 0.650 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -1.491 -10.968 1.183 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -1.546 -11.926 -0.289 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -2.430 -12.847 2.446 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -3.489 -12.334 1.140 1.00 0.00 H -ATOM 1489 N ALA A 90 1.532 -10.665 1.316 1.00 0.00 N -ATOM 1490 CA ALA A 90 2.542 -9.724 0.886 1.00 0.00 C -ATOM 1491 C ALA A 90 3.897 -10.385 0.776 1.00 0.00 C -ATOM 1492 O ALA A 90 4.541 -10.297 -0.264 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.615 -8.524 1.805 1.00 0.00 C -ATOM 1494 H ALA A 90 1.185 -10.623 2.231 1.00 0.00 H -ATOM 1495 HA ALA A 90 2.250 -9.380 -0.096 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 1.644 -8.059 1.874 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 3.330 -7.817 1.413 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 2.932 -8.846 2.786 1.00 0.00 H -ATOM 1499 N VAL A 91 4.318 -11.086 1.831 1.00 0.00 N -ATOM 1500 CA VAL A 91 5.633 -11.726 1.843 1.00 0.00 C -ATOM 1501 C VAL A 91 5.732 -12.786 0.739 1.00 0.00 C -ATOM 1502 O VAL A 91 6.770 -12.926 0.081 1.00 0.00 O -ATOM 1503 CB VAL A 91 6.020 -12.318 3.251 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 5.093 -13.445 3.692 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 7.478 -12.768 3.284 1.00 0.00 C -ATOM 1506 H VAL A 91 3.728 -11.169 2.615 1.00 0.00 H -ATOM 1507 HA VAL A 91 6.338 -10.949 1.588 1.00 0.00 H -ATOM 1508 HB VAL A 91 5.901 -11.523 3.972 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 4.081 -13.072 3.752 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 5.402 -13.809 4.660 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 5.136 -14.252 2.975 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 7.712 -13.164 4.261 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 8.121 -11.927 3.074 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 7.633 -13.534 2.540 1.00 0.00 H -ATOM 1515 N LYS A 92 4.622 -13.459 0.480 1.00 0.00 N -ATOM 1516 CA LYS A 92 4.570 -14.468 -0.553 1.00 0.00 C -ATOM 1517 C LYS A 92 4.535 -13.838 -1.941 1.00 0.00 C -ATOM 1518 O LYS A 92 4.825 -14.496 -2.933 1.00 0.00 O -ATOM 1519 CB LYS A 92 3.366 -15.401 -0.364 1.00 0.00 C -ATOM 1520 CG LYS A 92 3.434 -16.304 0.863 1.00 0.00 C -ATOM 1521 CD LYS A 92 4.643 -17.227 0.812 1.00 0.00 C -ATOM 1522 CE LYS A 92 4.675 -18.181 1.997 1.00 0.00 C -ATOM 1523 NZ LYS A 92 3.525 -19.112 2.015 1.00 0.00 N -ATOM 1524 H LYS A 92 3.814 -13.273 1.008 1.00 0.00 H -ATOM 1525 HA LYS A 92 5.473 -15.054 -0.477 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 2.480 -14.791 -0.260 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 3.264 -16.023 -1.241 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 3.496 -15.690 1.750 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 2.536 -16.903 0.904 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 4.612 -17.803 -0.100 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 5.541 -16.627 0.826 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 5.590 -18.755 1.964 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 4.661 -17.594 2.903 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 3.476 -19.673 1.141 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 2.625 -18.607 2.125 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 3.619 -19.775 2.811 1.00 0.00 H -ATOM 1537 N ARG A 93 4.212 -12.570 -2.015 1.00 0.00 N -ATOM 1538 CA ARG A 93 4.116 -11.911 -3.296 1.00 0.00 C -ATOM 1539 C ARG A 93 5.443 -11.259 -3.682 1.00 0.00 C -ATOM 1540 O ARG A 93 5.699 -10.974 -4.856 1.00 0.00 O -ATOM 1541 CB ARG A 93 2.961 -10.903 -3.303 1.00 0.00 C -ATOM 1542 CG ARG A 93 2.640 -10.313 -4.665 1.00 0.00 C -ATOM 1543 CD ARG A 93 2.272 -11.403 -5.663 1.00 0.00 C -ATOM 1544 NE ARG A 93 1.914 -10.844 -6.950 1.00 0.00 N -ATOM 1545 CZ ARG A 93 1.670 -11.516 -8.061 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 1.648 -12.839 -8.066 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 1.436 -10.843 -9.171 1.00 0.00 N -ATOM 1548 H ARG A 93 4.024 -12.063 -1.195 1.00 0.00 H -ATOM 1549 HA ARG A 93 3.913 -12.681 -4.018 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 2.074 -11.398 -2.934 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 3.209 -10.094 -2.632 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 1.810 -9.629 -4.571 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 3.506 -9.783 -5.030 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 3.125 -12.052 -5.802 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 1.442 -11.975 -5.278 1.00 0.00 H -ATOM 1556 HE ARG A 93 1.875 -9.853 -6.995 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 1.815 -13.386 -7.244 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 1.466 -13.353 -8.909 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 1.446 -9.838 -9.132 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 1.280 -11.286 -10.058 1.00 0.00 H -ATOM 1561 N ILE A 94 6.285 -11.052 -2.708 1.00 0.00 N -ATOM 1562 CA ILE A 94 7.577 -10.434 -2.937 1.00 0.00 C -ATOM 1563 C ILE A 94 8.540 -11.432 -3.579 1.00 0.00 C -ATOM 1564 O ILE A 94 9.200 -11.124 -4.584 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.152 -9.887 -1.612 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 7.183 -8.849 -1.048 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 9.539 -9.270 -1.826 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 7.479 -8.433 0.360 1.00 0.00 C -ATOM 1569 H ILE A 94 6.026 -11.321 -1.802 1.00 0.00 H -ATOM 1570 HA ILE A 94 7.429 -9.609 -3.617 1.00 0.00 H -ATOM 1571 HB ILE A 94 8.233 -10.701 -0.907 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 7.220 -7.963 -1.665 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 6.183 -9.255 -1.075 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 10.210 -10.026 -2.207 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 9.915 -8.892 -0.887 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 9.465 -8.461 -2.537 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 7.423 -9.315 0.981 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 6.729 -7.722 0.674 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 8.467 -8.004 0.413 1.00 0.00 H -ATOM 1580 N LEU A 95 8.582 -12.625 -3.043 1.00 0.00 N -ATOM 1581 CA LEU A 95 9.472 -13.641 -3.544 1.00 0.00 C -ATOM 1582 C LEU A 95 8.615 -14.678 -4.269 1.00 0.00 C -ATOM 1583 O LEU A 95 8.065 -15.563 -3.614 1.00 0.00 O -ATOM 1584 CB LEU A 95 10.259 -14.268 -2.354 1.00 0.00 C -ATOM 1585 CG LEU A 95 11.598 -15.007 -2.653 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 11.422 -16.236 -3.533 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 12.614 -14.052 -3.266 1.00 0.00 C -ATOM 1588 OXT LEU A 95 8.441 -14.581 -5.498 1.00 0.00 O -ATOM 1589 H LEU A 95 7.986 -12.857 -2.301 1.00 0.00 H -ATOM 1590 HA LEU A 95 10.158 -13.186 -4.241 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 10.477 -13.475 -1.654 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 9.598 -14.967 -1.862 1.00 0.00 H -ATOM 1593 HG LEU A 95 12.006 -15.354 -1.715 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 12.389 -16.675 -3.732 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 10.950 -15.950 -4.461 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 10.804 -16.954 -3.016 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 12.230 -13.667 -4.197 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 13.540 -14.578 -3.445 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 12.796 -13.234 -2.585 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 10 -ATOM 1 N MET A 1 10.111 16.435 -4.382 1.00 0.00 N -ATOM 2 CA MET A 1 10.441 15.028 -4.427 1.00 0.00 C -ATOM 3 C MET A 1 9.175 14.236 -4.309 1.00 0.00 C -ATOM 4 O MET A 1 8.344 14.505 -3.438 1.00 0.00 O -ATOM 5 CB MET A 1 11.359 14.646 -3.274 1.00 0.00 C -ATOM 6 CG MET A 1 11.947 13.242 -3.370 1.00 0.00 C -ATOM 7 SD MET A 1 12.927 12.797 -1.912 1.00 0.00 S -ATOM 8 CE MET A 1 13.585 11.200 -2.413 1.00 0.00 C -ATOM 9 H MET A 1 10.962 17.024 -4.451 1.00 0.00 H -ATOM 10 HA MET A 1 10.929 14.813 -5.365 1.00 0.00 H -ATOM 11 HB2 MET A 1 12.167 15.355 -3.215 1.00 0.00 H -ATOM 12 HB3 MET A 1 10.762 14.694 -2.378 1.00 0.00 H -ATOM 13 HG2 MET A 1 11.141 12.533 -3.478 1.00 0.00 H -ATOM 14 HG3 MET A 1 12.583 13.199 -4.242 1.00 0.00 H -ATOM 15 HE1 MET A 1 14.180 10.789 -1.611 1.00 0.00 H -ATOM 16 HE2 MET A 1 14.208 11.327 -3.286 1.00 0.00 H -ATOM 17 HE3 MET A 1 12.773 10.526 -2.644 1.00 0.00 H -ATOM 18 N ALA A 2 9.026 13.279 -5.158 1.00 0.00 N -ATOM 19 CA ALA A 2 7.877 12.414 -5.148 1.00 0.00 C -ATOM 20 C ALA A 2 8.265 11.075 -5.685 1.00 0.00 C -ATOM 21 O ALA A 2 8.996 10.990 -6.674 1.00 0.00 O -ATOM 22 CB ALA A 2 6.729 12.994 -5.966 1.00 0.00 C -ATOM 23 H ALA A 2 9.735 13.138 -5.825 1.00 0.00 H -ATOM 24 HA ALA A 2 7.551 12.302 -4.124 1.00 0.00 H -ATOM 25 HB1 ALA A 2 6.477 13.975 -5.592 1.00 0.00 H -ATOM 26 HB2 ALA A 2 5.869 12.345 -5.881 1.00 0.00 H -ATOM 27 HB3 ALA A 2 7.019 13.064 -7.004 1.00 0.00 H -ATOM 28 N TYR A 3 7.821 10.050 -5.031 1.00 0.00 N -ATOM 29 CA TYR A 3 8.086 8.701 -5.463 1.00 0.00 C -ATOM 30 C TYR A 3 7.019 8.265 -6.448 1.00 0.00 C -ATOM 31 O TYR A 3 5.963 8.920 -6.578 1.00 0.00 O -ATOM 32 CB TYR A 3 8.111 7.736 -4.263 1.00 0.00 C -ATOM 33 CG TYR A 3 9.300 7.877 -3.320 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.595 9.083 -2.690 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.111 6.783 -3.039 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.657 9.194 -1.819 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.179 6.888 -2.169 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.448 8.096 -1.563 1.00 0.00 C -ATOM 39 OH TYR A 3 12.501 8.203 -0.681 1.00 0.00 O -ATOM 40 H TYR A 3 7.280 10.194 -4.226 1.00 0.00 H -ATOM 41 HA TYR A 3 9.051 8.683 -5.948 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.218 7.882 -3.676 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.109 6.725 -4.644 1.00 0.00 H -ATOM 44 HD1 TYR A 3 8.975 9.943 -2.897 1.00 0.00 H -ATOM 45 HD2 TYR A 3 9.898 5.837 -3.516 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.867 10.140 -1.340 1.00 0.00 H -ATOM 47 HE2 TYR A 3 11.800 6.028 -1.966 1.00 0.00 H -ATOM 48 HH TYR A 3 13.236 7.654 -1.011 1.00 0.00 H -ATOM 49 N PHE A 4 7.286 7.201 -7.149 1.00 0.00 N -ATOM 50 CA PHE A 4 6.317 6.633 -8.048 1.00 0.00 C -ATOM 51 C PHE A 4 5.392 5.744 -7.249 1.00 0.00 C -ATOM 52 O PHE A 4 5.752 5.304 -6.170 1.00 0.00 O -ATOM 53 CB PHE A 4 7.003 5.809 -9.140 1.00 0.00 C -ATOM 54 CG PHE A 4 7.959 6.580 -9.999 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.536 7.690 -10.702 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.277 6.174 -10.122 1.00 0.00 C -ATOM 57 CE1 PHE A 4 8.407 8.385 -11.510 1.00 0.00 C -ATOM 58 CE2 PHE A 4 10.155 6.868 -10.926 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.719 7.975 -11.623 1.00 0.00 C -ATOM 60 H PHE A 4 8.167 6.771 -7.056 1.00 0.00 H -ATOM 61 HA PHE A 4 5.750 7.433 -8.499 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.570 5.020 -8.668 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.255 5.363 -9.777 1.00 0.00 H -ATOM 64 HD1 PHE A 4 6.510 8.015 -10.612 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.619 5.307 -9.576 1.00 0.00 H -ATOM 66 HE1 PHE A 4 8.057 9.250 -12.051 1.00 0.00 H -ATOM 67 HE2 PHE A 4 11.182 6.544 -11.012 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.402 8.520 -12.257 1.00 0.00 H -ATOM 69 N LEU A 5 4.223 5.500 -7.744 1.00 0.00 N -ATOM 70 CA LEU A 5 3.285 4.636 -7.063 1.00 0.00 C -ATOM 71 C LEU A 5 2.867 3.570 -8.059 1.00 0.00 C -ATOM 72 O LEU A 5 2.503 3.897 -9.200 1.00 0.00 O -ATOM 73 CB LEU A 5 2.056 5.467 -6.577 1.00 0.00 C -ATOM 74 CG LEU A 5 1.122 4.865 -5.475 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.438 3.583 -5.894 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.868 4.655 -4.175 1.00 0.00 C -ATOM 77 H LEU A 5 3.964 5.890 -8.607 1.00 0.00 H -ATOM 78 HA LEU A 5 3.780 4.177 -6.221 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.428 6.410 -6.208 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.450 5.677 -7.447 1.00 0.00 H -ATOM 81 HG LEU A 5 0.336 5.581 -5.281 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.223 3.770 -6.728 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.116 3.188 -5.054 1.00 0.00 H -ATOM 84 HD13 LEU A 5 1.190 2.863 -6.184 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.712 4.003 -4.342 1.00 0.00 H -ATOM 86 HD22 LEU A 5 1.203 4.186 -3.465 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.204 5.601 -3.780 1.00 0.00 H -ATOM 88 N ASP A 6 2.956 2.325 -7.681 1.00 0.00 N -ATOM 89 CA ASP A 6 2.536 1.248 -8.557 1.00 0.00 C -ATOM 90 C ASP A 6 1.828 0.186 -7.742 1.00 0.00 C -ATOM 91 O ASP A 6 2.026 0.097 -6.531 1.00 0.00 O -ATOM 92 CB ASP A 6 3.727 0.657 -9.329 1.00 0.00 C -ATOM 93 CG ASP A 6 3.305 -0.300 -10.434 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.173 -0.175 -10.946 1.00 0.00 O -ATOM 95 OD2 ASP A 6 4.101 -1.172 -10.827 1.00 0.00 O -ATOM 96 H ASP A 6 3.305 2.102 -6.786 1.00 0.00 H -ATOM 97 HA ASP A 6 1.827 1.664 -9.258 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.298 1.458 -9.775 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.350 0.119 -8.632 1.00 0.00 H -ATOM 100 N PHE A 7 1.008 -0.593 -8.384 1.00 0.00 N -ATOM 101 CA PHE A 7 0.221 -1.610 -7.717 1.00 0.00 C -ATOM 102 C PHE A 7 0.551 -2.980 -8.269 1.00 0.00 C -ATOM 103 O PHE A 7 0.785 -3.131 -9.480 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.285 -1.380 -7.938 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.863 -0.098 -7.403 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -1.839 1.062 -8.161 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.462 -0.065 -6.156 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.398 2.229 -7.682 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -3.019 1.100 -5.670 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.989 2.248 -6.435 1.00 0.00 C -ATOM 111 H PHE A 7 0.968 -0.500 -9.362 1.00 0.00 H -ATOM 112 HA PHE A 7 0.422 -1.576 -6.657 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.477 -1.388 -9.001 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.825 -2.203 -7.492 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.374 1.050 -9.135 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.487 -0.962 -5.557 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.373 3.127 -8.282 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.480 1.112 -4.693 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.428 3.162 -6.059 1.00 0.00 H -ATOM 120 N ASP A 8 0.579 -3.962 -7.396 1.00 0.00 N -ATOM 121 CA ASP A 8 0.698 -5.367 -7.794 1.00 0.00 C -ATOM 122 C ASP A 8 -0.587 -5.773 -8.519 1.00 0.00 C -ATOM 123 O ASP A 8 -1.627 -5.144 -8.304 1.00 0.00 O -ATOM 124 CB ASP A 8 0.896 -6.255 -6.553 1.00 0.00 C -ATOM 125 CG ASP A 8 1.025 -7.719 -6.896 1.00 0.00 C -ATOM 126 OD1 ASP A 8 0.006 -8.405 -6.972 1.00 0.00 O -ATOM 127 OD2 ASP A 8 2.149 -8.195 -7.101 1.00 0.00 O -ATOM 128 H ASP A 8 0.538 -3.746 -6.436 1.00 0.00 H -ATOM 129 HA ASP A 8 1.541 -5.468 -8.461 1.00 0.00 H -ATOM 130 HB2 ASP A 8 1.793 -5.948 -6.036 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.050 -6.131 -5.894 1.00 0.00 H -ATOM 132 N GLU A 9 -0.533 -6.778 -9.384 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.721 -7.204 -10.109 1.00 0.00 C -ATOM 134 C GLU A 9 -2.863 -7.657 -9.181 1.00 0.00 C -ATOM 135 O GLU A 9 -4.026 -7.468 -9.509 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.395 -8.209 -11.244 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.693 -9.514 -10.849 1.00 0.00 C -ATOM 138 CD GLU A 9 -1.597 -10.560 -10.221 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -2.779 -10.657 -10.602 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -1.118 -11.343 -9.387 1.00 0.00 O -ATOM 141 H GLU A 9 0.316 -7.249 -9.523 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.085 -6.293 -10.563 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.324 -8.485 -11.719 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.781 -7.702 -11.975 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -0.212 -9.948 -11.713 1.00 0.00 H -ATOM 146 HG3 GLU A 9 0.059 -9.249 -10.123 1.00 0.00 H -ATOM 147 N ARG A 10 -2.524 -8.189 -8.001 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.541 -8.566 -7.015 1.00 0.00 C -ATOM 149 C ARG A 10 -4.122 -7.306 -6.438 1.00 0.00 C -ATOM 150 O ARG A 10 -5.337 -7.159 -6.316 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.935 -9.382 -5.871 1.00 0.00 C -ATOM 152 CG ARG A 10 -2.233 -10.634 -6.311 1.00 0.00 C -ATOM 153 CD ARG A 10 -3.179 -11.668 -6.862 1.00 0.00 C -ATOM 154 NE ARG A 10 -2.420 -12.740 -7.489 1.00 0.00 N -ATOM 155 CZ ARG A 10 -2.357 -14.009 -7.081 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -3.002 -14.396 -5.984 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -1.627 -14.884 -7.764 1.00 0.00 N -ATOM 158 H ARG A 10 -1.570 -8.323 -7.779 1.00 0.00 H -ATOM 159 HA ARG A 10 -4.315 -9.136 -7.504 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -2.220 -8.764 -5.346 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.724 -9.656 -5.187 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -1.533 -10.370 -7.090 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -1.697 -11.051 -5.471 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -3.782 -12.065 -6.060 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -3.815 -11.211 -7.605 1.00 0.00 H -ATOM 166 HE ARG A 10 -1.926 -12.411 -8.285 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -3.550 -13.760 -5.433 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -2.979 -15.338 -5.644 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -1.116 -14.617 -8.588 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -1.535 -15.846 -7.502 1.00 0.00 H -ATOM 171 N ALA A 11 -3.231 -6.367 -6.149 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.591 -5.101 -5.554 1.00 0.00 C -ATOM 173 C ALA A 11 -4.512 -4.312 -6.467 1.00 0.00 C -ATOM 174 O ALA A 11 -5.421 -3.674 -5.994 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.351 -4.293 -5.198 1.00 0.00 C -ATOM 176 H ALA A 11 -2.293 -6.546 -6.372 1.00 0.00 H -ATOM 177 HA ALA A 11 -4.127 -5.318 -4.642 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -2.645 -3.380 -4.702 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.806 -4.058 -6.099 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -1.720 -4.874 -4.540 1.00 0.00 H -ATOM 181 N LEU A 12 -4.291 -4.401 -7.780 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.139 -3.726 -8.754 1.00 0.00 C -ATOM 183 C LEU A 12 -6.550 -4.258 -8.695 1.00 0.00 C -ATOM 184 O LEU A 12 -7.520 -3.494 -8.703 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.596 -3.904 -10.170 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.385 -3.065 -10.557 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -2.891 -3.482 -11.934 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -3.758 -1.581 -10.566 1.00 0.00 C -ATOM 189 H LEU A 12 -3.535 -4.939 -8.107 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.152 -2.675 -8.516 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.330 -4.944 -10.289 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.396 -3.683 -10.855 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.590 -3.215 -9.842 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -2.037 -2.885 -12.212 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -3.679 -3.338 -12.659 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -2.610 -4.524 -11.917 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -2.897 -0.992 -10.847 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -4.104 -1.272 -9.591 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.548 -1.414 -11.283 1.00 0.00 H -ATOM 200 N LYS A 13 -6.651 -5.559 -8.598 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.927 -6.229 -8.559 1.00 0.00 C -ATOM 202 C LYS A 13 -8.666 -5.868 -7.297 1.00 0.00 C -ATOM 203 O LYS A 13 -9.834 -5.521 -7.350 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.705 -7.725 -8.631 1.00 0.00 C -ATOM 205 CG LYS A 13 -7.031 -8.153 -9.909 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.507 -9.555 -9.809 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.844 -9.972 -11.096 1.00 0.00 C -ATOM 208 NZ LYS A 13 -5.312 -11.341 -11.022 1.00 0.00 N -ATOM 209 H LYS A 13 -5.831 -6.095 -8.544 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.504 -5.923 -9.418 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -7.082 -8.022 -7.800 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.657 -8.228 -8.561 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.745 -8.105 -10.718 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -6.209 -7.483 -10.114 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.773 -9.572 -9.016 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -7.322 -10.226 -9.584 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -6.552 -9.909 -11.907 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -5.017 -9.299 -11.279 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -4.408 -11.319 -10.501 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -5.135 -11.718 -11.977 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -5.974 -11.974 -10.533 1.00 0.00 H -ATOM 222 N GLU A 14 -7.953 -5.876 -6.176 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.536 -5.547 -4.894 1.00 0.00 C -ATOM 224 C GLU A 14 -8.913 -4.061 -4.834 1.00 0.00 C -ATOM 225 O GLU A 14 -9.929 -3.701 -4.293 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.568 -5.892 -3.772 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.119 -7.347 -3.758 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.247 -8.339 -3.601 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -8.840 -8.438 -2.498 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -8.553 -9.055 -4.560 1.00 0.00 O -ATOM 231 H GLU A 14 -7.006 -6.142 -6.201 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.425 -6.147 -4.784 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.689 -5.272 -3.880 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.039 -5.669 -2.827 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -6.635 -7.547 -4.703 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.397 -7.489 -2.970 1.00 0.00 H -ATOM 237 N TRP A 15 -8.087 -3.233 -5.426 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.280 -1.784 -5.483 1.00 0.00 C -ATOM 239 C TRP A 15 -9.563 -1.428 -6.252 1.00 0.00 C -ATOM 240 O TRP A 15 -10.360 -0.580 -5.827 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.043 -1.174 -6.161 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.046 0.295 -6.345 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.214 0.965 -7.516 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.849 1.282 -5.338 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.139 2.311 -7.297 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -6.917 2.533 -5.967 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.623 1.226 -3.962 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.768 3.719 -5.271 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.474 2.404 -3.272 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.547 3.635 -3.926 1.00 0.00 C -ATOM 251 H TRP A 15 -7.274 -3.603 -5.836 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.350 -1.402 -4.474 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.173 -1.413 -5.569 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -6.928 -1.636 -7.130 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -7.374 0.481 -8.469 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.234 2.999 -7.992 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.566 0.281 -3.444 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.824 4.676 -5.768 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -6.297 2.383 -2.207 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.422 4.535 -3.342 1.00 0.00 H -ATOM 261 N ARG A 16 -9.756 -2.073 -7.375 1.00 0.00 N -ATOM 262 CA ARG A 16 -10.938 -1.850 -8.183 1.00 0.00 C -ATOM 263 C ARG A 16 -12.163 -2.525 -7.556 1.00 0.00 C -ATOM 264 O ARG A 16 -13.299 -2.124 -7.795 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.691 -2.310 -9.609 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.551 -1.549 -10.274 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.269 -2.065 -11.662 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.079 -1.440 -12.259 1.00 0.00 N -ATOM 269 CZ ARG A 16 -7.345 -1.997 -13.242 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -7.727 -3.154 -13.788 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -6.249 -1.390 -13.682 1.00 0.00 N -ATOM 272 H ARG A 16 -9.070 -2.711 -7.672 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.117 -0.784 -8.185 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.445 -3.361 -9.595 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.589 -2.162 -10.188 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -9.818 -0.505 -10.337 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.664 -1.656 -9.667 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.108 -3.131 -11.604 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -10.124 -1.858 -12.289 1.00 0.00 H -ATOM 280 HE ARG A 16 -7.828 -0.571 -11.871 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.557 -3.638 -13.501 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -7.203 -3.616 -14.510 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -5.941 -0.514 -13.300 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -5.678 -1.781 -14.409 1.00 0.00 H -ATOM 285 N LYS A 17 -11.895 -3.516 -6.741 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.886 -4.281 -5.979 1.00 0.00 C -ATOM 287 C LYS A 17 -13.369 -3.484 -4.765 1.00 0.00 C -ATOM 288 O LYS A 17 -14.518 -3.625 -4.322 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.194 -5.566 -5.533 1.00 0.00 C -ATOM 290 CG LYS A 17 -12.838 -6.375 -4.444 1.00 0.00 C -ATOM 291 CD LYS A 17 -11.912 -7.514 -4.075 1.00 0.00 C -ATOM 292 CE LYS A 17 -12.392 -8.279 -2.879 1.00 0.00 C -ATOM 293 NZ LYS A 17 -11.462 -9.375 -2.536 1.00 0.00 N -ATOM 294 H LYS A 17 -10.955 -3.779 -6.640 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.716 -4.537 -6.619 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -12.090 -6.210 -6.393 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.202 -5.288 -5.207 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -13.001 -5.746 -3.582 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -13.773 -6.777 -4.800 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -11.845 -8.193 -4.912 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -10.934 -7.113 -3.862 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -12.472 -7.604 -2.039 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -13.364 -8.692 -3.101 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -11.794 -9.864 -1.681 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -10.485 -9.022 -2.417 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -11.443 -10.069 -3.312 1.00 0.00 H -ATOM 307 N LEU A 18 -12.480 -2.678 -4.235 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.741 -1.824 -3.093 1.00 0.00 C -ATOM 309 C LEU A 18 -13.850 -0.834 -3.374 1.00 0.00 C -ATOM 310 O LEU A 18 -14.077 -0.443 -4.525 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.472 -1.068 -2.715 1.00 0.00 C -ATOM 312 CG LEU A 18 -10.832 -1.408 -1.369 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.473 -2.882 -1.266 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.606 -0.554 -1.167 1.00 0.00 C -ATOM 315 H LEU A 18 -11.576 -2.674 -4.617 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.021 -2.449 -2.258 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.737 -1.249 -3.488 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.710 -0.014 -2.719 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.528 -1.171 -0.581 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -9.778 -3.141 -2.052 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -11.366 -3.480 -1.363 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.016 -3.071 -0.306 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.168 -0.779 -0.206 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -9.892 0.487 -1.200 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -8.889 -0.758 -1.948 1.00 0.00 H -ATOM 326 N GLY A 19 -14.528 -0.440 -2.329 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.591 0.511 -2.430 1.00 0.00 C -ATOM 328 C GLY A 19 -15.050 1.867 -2.765 1.00 0.00 C -ATOM 329 O GLY A 19 -13.939 2.213 -2.330 1.00 0.00 O -ATOM 330 H GLY A 19 -14.286 -0.812 -1.455 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.276 0.194 -3.203 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.112 0.564 -1.485 1.00 0.00 H -ATOM 333 N SER A 20 -15.821 2.630 -3.511 1.00 0.00 N -ATOM 334 CA SER A 20 -15.438 3.938 -4.013 1.00 0.00 C -ATOM 335 C SER A 20 -14.861 4.844 -2.912 1.00 0.00 C -ATOM 336 O SER A 20 -13.724 5.282 -3.004 1.00 0.00 O -ATOM 337 CB SER A 20 -16.661 4.577 -4.652 1.00 0.00 C -ATOM 338 OG SER A 20 -17.254 3.675 -5.585 1.00 0.00 O -ATOM 339 H SER A 20 -16.714 2.306 -3.757 1.00 0.00 H -ATOM 340 HA SER A 20 -14.693 3.799 -4.780 1.00 0.00 H -ATOM 341 HB2 SER A 20 -17.380 4.813 -3.881 1.00 0.00 H -ATOM 342 HB3 SER A 20 -16.376 5.481 -5.168 1.00 0.00 H -ATOM 343 HG SER A 20 -18.177 3.950 -5.664 1.00 0.00 H -ATOM 344 N THR A 21 -15.608 5.019 -1.853 1.00 0.00 N -ATOM 345 CA THR A 21 -15.234 5.901 -0.756 1.00 0.00 C -ATOM 346 C THR A 21 -13.951 5.411 -0.057 1.00 0.00 C -ATOM 347 O THR A 21 -13.097 6.213 0.356 1.00 0.00 O -ATOM 348 CB THR A 21 -16.399 5.972 0.248 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.602 6.286 -0.476 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.161 7.044 1.310 1.00 0.00 C -ATOM 351 H THR A 21 -16.457 4.533 -1.798 1.00 0.00 H -ATOM 352 HA THR A 21 -15.066 6.889 -1.158 1.00 0.00 H -ATOM 353 HB THR A 21 -16.504 5.007 0.722 1.00 0.00 H -ATOM 354 HG1 THR A 21 -18.332 5.811 -0.062 1.00 0.00 H -ATOM 355 HG21 THR A 21 -15.250 6.827 1.845 1.00 0.00 H -ATOM 356 HG22 THR A 21 -16.991 7.055 2.001 1.00 0.00 H -ATOM 357 HG23 THR A 21 -16.079 8.011 0.835 1.00 0.00 H -ATOM 358 N VAL A 22 -13.797 4.104 0.009 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.655 3.509 0.661 1.00 0.00 C -ATOM 360 C VAL A 22 -11.404 3.770 -0.164 1.00 0.00 C -ATOM 361 O VAL A 22 -10.400 4.267 0.348 1.00 0.00 O -ATOM 362 CB VAL A 22 -12.859 1.974 0.808 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -11.657 1.310 1.445 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.116 1.667 1.604 1.00 0.00 C -ATOM 365 H VAL A 22 -14.463 3.523 -0.416 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.534 3.943 1.642 1.00 0.00 H -ATOM 367 HB VAL A 22 -12.982 1.566 -0.184 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -10.772 1.525 0.863 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -11.818 0.243 1.474 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -11.531 1.674 2.452 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.036 2.102 2.588 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -14.233 0.597 1.692 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.973 2.084 1.094 1.00 0.00 H -ATOM 374 N ARG A 23 -11.500 3.499 -1.444 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.384 3.698 -2.335 1.00 0.00 C -ATOM 376 C ARG A 23 -10.043 5.166 -2.557 1.00 0.00 C -ATOM 377 O ARG A 23 -8.879 5.497 -2.711 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.529 2.953 -3.640 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.795 3.241 -4.385 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.667 2.783 -5.794 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.934 2.882 -6.520 1.00 0.00 N -ATOM 382 CZ ARG A 23 -13.549 1.843 -7.111 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.984 0.632 -7.096 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -14.723 2.019 -7.710 1.00 0.00 N -ATOM 385 H ARG A 23 -12.354 3.155 -1.792 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.536 3.281 -1.810 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.695 3.188 -4.283 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.514 1.896 -3.416 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.577 2.664 -3.909 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -12.061 4.288 -4.330 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.917 3.422 -6.243 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -11.313 1.763 -5.800 1.00 0.00 H -ATOM 393 HE ARG A 23 -13.334 3.783 -6.542 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -12.097 0.460 -6.656 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -13.421 -0.173 -7.511 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -15.169 2.916 -7.740 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -15.222 1.262 -8.147 1.00 0.00 H -ATOM 398 N GLU A 24 -11.056 6.037 -2.596 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.826 7.472 -2.767 1.00 0.00 C -ATOM 400 C GLU A 24 -9.924 7.996 -1.684 1.00 0.00 C -ATOM 401 O GLU A 24 -8.915 8.640 -1.970 1.00 0.00 O -ATOM 402 CB GLU A 24 -12.129 8.262 -2.772 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.964 8.069 -4.013 1.00 0.00 C -ATOM 404 CD GLU A 24 -14.255 8.825 -3.948 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -14.234 10.071 -4.026 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -15.325 8.192 -3.855 1.00 0.00 O -ATOM 407 H GLU A 24 -11.982 5.714 -2.524 1.00 0.00 H -ATOM 408 HA GLU A 24 -10.330 7.611 -3.715 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.719 7.961 -1.919 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.894 9.312 -2.681 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -12.407 8.420 -4.869 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -13.181 7.017 -4.128 1.00 0.00 H -ATOM 413 N GLN A 25 -10.247 7.671 -0.451 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.463 8.128 0.668 1.00 0.00 C -ATOM 415 C GLN A 25 -8.081 7.475 0.693 1.00 0.00 C -ATOM 416 O GLN A 25 -7.094 8.113 1.065 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.221 7.943 1.977 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.132 9.106 2.382 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.032 9.620 1.273 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -11.672 10.537 0.538 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.180 9.037 1.135 1.00 0.00 N -ATOM 422 H GLN A 25 -11.027 7.092 -0.279 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.307 9.185 0.512 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.836 7.060 1.894 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.495 7.800 2.763 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.765 8.774 3.192 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -10.510 9.914 2.736 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.405 8.302 1.742 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -13.777 9.351 0.421 1.00 0.00 H -ATOM 430 N LEU A 26 -8.010 6.221 0.278 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.732 5.520 0.203 1.00 0.00 C -ATOM 432 C LEU A 26 -5.829 6.118 -0.862 1.00 0.00 C -ATOM 433 O LEU A 26 -4.639 6.295 -0.630 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.917 4.037 -0.048 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.511 3.218 1.111 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.707 1.784 0.691 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.599 3.276 2.336 1.00 0.00 C -ATOM 438 H LEU A 26 -8.833 5.750 0.022 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.244 5.652 1.157 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.555 3.967 -0.918 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.954 3.622 -0.307 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.476 3.619 1.385 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.127 1.222 1.512 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -6.755 1.359 0.410 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.381 1.747 -0.151 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -5.624 2.892 2.075 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -7.019 2.665 3.121 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -6.507 4.293 2.687 1.00 0.00 H -ATOM 449 N LYS A 27 -6.394 6.436 -2.025 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.633 7.066 -3.099 1.00 0.00 C -ATOM 451 C LYS A 27 -5.044 8.393 -2.620 1.00 0.00 C -ATOM 452 O LYS A 27 -3.892 8.723 -2.910 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.510 7.326 -4.315 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.727 7.931 -5.473 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.606 8.420 -6.611 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.375 9.667 -6.217 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.146 10.212 -7.344 1.00 0.00 N -ATOM 458 H LYS A 27 -7.341 6.207 -2.183 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.827 6.402 -3.375 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.938 6.384 -4.625 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.308 7.984 -4.014 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.186 8.776 -5.072 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -5.026 7.195 -5.839 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -5.987 8.655 -7.464 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.306 7.641 -6.877 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -8.049 9.430 -5.408 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.662 10.406 -5.885 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -8.704 11.036 -7.046 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -8.806 9.513 -7.739 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -7.517 10.521 -8.111 1.00 0.00 H -ATOM 471 N LYS A 28 -5.849 9.142 -1.886 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.422 10.407 -1.300 1.00 0.00 C -ATOM 473 C LYS A 28 -4.238 10.190 -0.374 1.00 0.00 C -ATOM 474 O LYS A 28 -3.271 10.951 -0.391 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.566 11.061 -0.546 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.731 11.412 -1.432 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.852 12.031 -0.645 1.00 0.00 C -ATOM 478 CE LYS A 28 -10.009 12.392 -1.546 1.00 0.00 C -ATOM 479 NZ LYS A 28 -11.152 12.901 -0.776 1.00 0.00 N -ATOM 480 H LYS A 28 -6.769 8.822 -1.762 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.125 11.052 -2.112 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.911 10.379 0.216 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.210 11.967 -0.080 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.406 12.098 -2.198 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -8.088 10.505 -1.899 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.193 11.329 0.101 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.489 12.925 -0.162 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -9.683 13.154 -2.238 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.313 11.513 -2.095 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -11.945 13.137 -1.404 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -10.910 13.760 -0.242 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -11.477 12.163 -0.114 1.00 0.00 H -ATOM 493 N LYS A 29 -4.303 9.119 0.397 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.224 8.740 1.279 1.00 0.00 C -ATOM 495 C LYS A 29 -1.973 8.378 0.523 1.00 0.00 C -ATOM 496 O LYS A 29 -0.867 8.647 0.985 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.631 7.623 2.228 1.00 0.00 C -ATOM 498 CG LYS A 29 -3.998 8.121 3.610 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.132 9.115 3.584 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.328 9.729 4.944 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.133 10.496 5.379 1.00 0.00 N -ATOM 502 H LYS A 29 -5.116 8.570 0.363 1.00 0.00 H -ATOM 503 HA LYS A 29 -2.997 9.611 1.872 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.482 7.105 1.812 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.808 6.929 2.319 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.304 7.280 4.215 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.132 8.589 4.056 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -4.905 9.897 2.874 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.040 8.608 3.291 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.193 10.373 4.928 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.482 8.907 5.628 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -3.342 9.861 5.607 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -4.336 11.063 6.225 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -3.808 11.144 4.626 1.00 0.00 H -ATOM 515 N LEU A 30 -2.146 7.781 -0.625 1.00 0.00 N -ATOM 516 CA LEU A 30 -1.036 7.424 -1.473 1.00 0.00 C -ATOM 517 C LEU A 30 -0.376 8.665 -2.049 1.00 0.00 C -ATOM 518 O LEU A 30 0.837 8.812 -1.981 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.484 6.495 -2.597 1.00 0.00 C -ATOM 520 CG LEU A 30 -2.079 5.161 -2.160 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.502 4.348 -3.367 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.087 4.389 -1.301 1.00 0.00 C -ATOM 523 H LEU A 30 -3.061 7.557 -0.906 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.315 6.903 -0.863 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.225 7.017 -3.185 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.631 6.293 -3.227 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.963 5.351 -1.568 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -2.913 3.403 -3.045 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -1.645 4.170 -3.999 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -3.252 4.892 -3.924 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -1.496 3.421 -1.056 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -0.915 4.936 -0.385 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.155 4.267 -1.830 1.00 0.00 H -ATOM 534 N VAL A 31 -1.176 9.582 -2.572 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.628 10.775 -3.188 1.00 0.00 C -ATOM 536 C VAL A 31 0.072 11.685 -2.157 1.00 0.00 C -ATOM 537 O VAL A 31 1.135 12.240 -2.448 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.665 11.561 -4.069 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -2.795 12.161 -3.259 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -0.980 12.623 -4.909 1.00 0.00 C -ATOM 541 H VAL A 31 -2.148 9.429 -2.553 1.00 0.00 H -ATOM 542 HA VAL A 31 0.158 10.409 -3.834 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.110 10.846 -4.745 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -2.394 12.882 -2.563 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -3.274 11.369 -2.705 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -3.507 12.638 -3.917 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -0.484 13.329 -4.258 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -1.721 13.137 -5.504 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -0.254 12.156 -5.558 1.00 0.00 H -ATOM 550 N GLU A 32 -0.492 11.805 -0.950 1.00 0.00 N -ATOM 551 CA GLU A 32 0.141 12.601 0.100 1.00 0.00 C -ATOM 552 C GLU A 32 1.443 11.930 0.577 1.00 0.00 C -ATOM 553 O GLU A 32 2.489 12.587 0.709 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.819 12.850 1.303 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.328 11.577 1.948 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.167 11.758 3.193 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -3.370 12.073 3.096 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -1.662 11.483 4.301 1.00 0.00 O -ATOM 559 H GLU A 32 -1.357 11.367 -0.779 1.00 0.00 H -ATOM 560 HA GLU A 32 0.402 13.550 -0.345 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.301 13.423 2.056 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.671 13.417 0.953 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -1.929 11.073 1.206 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.479 10.953 2.183 1.00 0.00 H -ATOM 565 N VAL A 33 1.393 10.616 0.757 1.00 0.00 N -ATOM 566 CA VAL A 33 2.504 9.868 1.310 1.00 0.00 C -ATOM 567 C VAL A 33 3.730 9.912 0.397 1.00 0.00 C -ATOM 568 O VAL A 33 4.837 9.904 0.868 1.00 0.00 O -ATOM 569 CB VAL A 33 2.135 8.406 1.724 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.123 7.430 0.553 1.00 0.00 C -ATOM 571 CG2 VAL A 33 3.022 7.926 2.848 1.00 0.00 C -ATOM 572 H VAL A 33 0.575 10.129 0.510 1.00 0.00 H -ATOM 573 HA VAL A 33 2.784 10.412 2.201 1.00 0.00 H -ATOM 574 HB VAL A 33 1.122 8.440 2.100 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.822 6.452 0.898 1.00 0.00 H -ATOM 576 HG12 VAL A 33 3.114 7.374 0.125 1.00 0.00 H -ATOM 577 HG13 VAL A 33 1.433 7.782 -0.199 1.00 0.00 H -ATOM 578 HG21 VAL A 33 4.041 7.968 2.500 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.763 6.910 3.108 1.00 0.00 H -ATOM 580 HG23 VAL A 33 2.907 8.563 3.711 1.00 0.00 H -ATOM 581 N LEU A 34 3.497 10.013 -0.909 1.00 0.00 N -ATOM 582 CA LEU A 34 4.552 10.025 -1.931 1.00 0.00 C -ATOM 583 C LEU A 34 5.630 11.084 -1.704 1.00 0.00 C -ATOM 584 O LEU A 34 6.749 10.929 -2.206 1.00 0.00 O -ATOM 585 CB LEU A 34 3.972 10.196 -3.337 1.00 0.00 C -ATOM 586 CG LEU A 34 3.159 9.028 -3.889 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.592 9.377 -5.253 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.021 7.776 -3.979 1.00 0.00 C -ATOM 589 H LEU A 34 2.563 10.060 -1.203 1.00 0.00 H -ATOM 590 HA LEU A 34 5.035 9.060 -1.892 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.333 11.066 -3.325 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.790 10.386 -4.016 1.00 0.00 H -ATOM 593 HG LEU A 34 2.334 8.824 -3.221 1.00 0.00 H -ATOM 594 HD11 LEU A 34 3.405 9.579 -5.933 1.00 0.00 H -ATOM 595 HD12 LEU A 34 1.967 10.254 -5.170 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.005 8.550 -5.626 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.318 7.460 -2.990 1.00 0.00 H -ATOM 598 HD22 LEU A 34 4.903 7.999 -4.562 1.00 0.00 H -ATOM 599 HD23 LEU A 34 3.469 6.987 -4.465 1.00 0.00 H -ATOM 600 N GLU A 35 5.311 12.174 -1.003 1.00 0.00 N -ATOM 601 CA GLU A 35 6.332 13.195 -0.766 1.00 0.00 C -ATOM 602 C GLU A 35 7.334 12.736 0.307 1.00 0.00 C -ATOM 603 O GLU A 35 8.490 13.154 0.308 1.00 0.00 O -ATOM 604 CB GLU A 35 5.725 14.559 -0.411 1.00 0.00 C -ATOM 605 CG GLU A 35 4.961 14.603 0.895 1.00 0.00 C -ATOM 606 CD GLU A 35 4.398 15.965 1.177 1.00 0.00 C -ATOM 607 OE1 GLU A 35 5.163 16.879 1.538 1.00 0.00 O -ATOM 608 OE2 GLU A 35 3.175 16.154 1.074 1.00 0.00 O -ATOM 609 H GLU A 35 4.405 12.281 -0.633 1.00 0.00 H -ATOM 610 HA GLU A 35 6.881 13.284 -1.692 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.522 15.285 -0.347 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.054 14.858 -1.203 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.146 13.897 0.843 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.628 14.327 1.698 1.00 0.00 H -ATOM 615 N SER A 36 6.895 11.845 1.182 1.00 0.00 N -ATOM 616 CA SER A 36 7.724 11.319 2.245 1.00 0.00 C -ATOM 617 C SER A 36 7.167 9.964 2.732 1.00 0.00 C -ATOM 618 O SER A 36 6.510 9.896 3.759 1.00 0.00 O -ATOM 619 CB SER A 36 7.821 12.340 3.404 1.00 0.00 C -ATOM 620 OG SER A 36 6.521 12.703 3.884 1.00 0.00 O -ATOM 621 H SER A 36 5.977 11.500 1.104 1.00 0.00 H -ATOM 622 HA SER A 36 8.711 11.147 1.844 1.00 0.00 H -ATOM 623 HB2 SER A 36 8.381 11.903 4.220 1.00 0.00 H -ATOM 624 HB3 SER A 36 8.325 13.229 3.057 1.00 0.00 H -ATOM 625 HG SER A 36 6.050 11.868 4.000 1.00 0.00 H -ATOM 626 N PRO A 37 7.346 8.880 1.949 1.00 0.00 N -ATOM 627 CA PRO A 37 6.808 7.562 2.308 1.00 0.00 C -ATOM 628 C PRO A 37 7.710 6.763 3.235 1.00 0.00 C -ATOM 629 O PRO A 37 7.358 5.692 3.663 1.00 0.00 O -ATOM 630 CB PRO A 37 6.675 6.873 0.956 1.00 0.00 C -ATOM 631 CG PRO A 37 7.795 7.435 0.151 1.00 0.00 C -ATOM 632 CD PRO A 37 7.976 8.862 0.612 1.00 0.00 C -ATOM 633 HA PRO A 37 5.839 7.634 2.772 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.765 5.805 1.081 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.718 7.113 0.516 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.694 6.866 0.330 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.544 7.413 -0.899 1.00 0.00 H -ATOM 638 HD2 PRO A 37 9.021 9.123 0.671 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.446 9.528 -0.057 1.00 0.00 H -ATOM 640 N ARG A 38 8.841 7.316 3.573 1.00 0.00 N -ATOM 641 CA ARG A 38 9.820 6.634 4.417 1.00 0.00 C -ATOM 642 C ARG A 38 9.583 6.864 5.926 1.00 0.00 C -ATOM 643 O ARG A 38 10.516 6.816 6.727 1.00 0.00 O -ATOM 644 CB ARG A 38 11.256 7.007 3.978 1.00 0.00 C -ATOM 645 CG ARG A 38 11.510 8.494 3.650 1.00 0.00 C -ATOM 646 CD ARG A 38 11.285 9.441 4.829 1.00 0.00 C -ATOM 647 NE ARG A 38 12.084 9.080 5.994 1.00 0.00 N -ATOM 648 CZ ARG A 38 12.554 9.935 6.901 1.00 0.00 C -ATOM 649 NH1 ARG A 38 12.455 11.250 6.716 1.00 0.00 N -ATOM 650 NH2 ARG A 38 13.156 9.472 7.979 1.00 0.00 N -ATOM 651 H ARG A 38 9.017 8.219 3.239 1.00 0.00 H -ATOM 652 HA ARG A 38 9.681 5.578 4.237 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.933 6.730 4.771 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.507 6.422 3.104 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.530 8.597 3.318 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.855 8.778 2.840 1.00 0.00 H -ATOM 657 HD2 ARG A 38 11.542 10.445 4.530 1.00 0.00 H -ATOM 658 HD3 ARG A 38 10.240 9.408 5.098 1.00 0.00 H -ATOM 659 HE ARG A 38 12.230 8.114 6.125 1.00 0.00 H -ATOM 660 HH11 ARG A 38 12.033 11.675 5.914 1.00 0.00 H -ATOM 661 HH12 ARG A 38 12.829 11.895 7.388 1.00 0.00 H -ATOM 662 HH21 ARG A 38 13.276 8.492 8.145 1.00 0.00 H -ATOM 663 HH22 ARG A 38 13.523 10.092 8.680 1.00 0.00 H -ATOM 664 N ILE A 39 8.341 7.000 6.303 1.00 0.00 N -ATOM 665 CA ILE A 39 7.973 7.295 7.681 1.00 0.00 C -ATOM 666 C ILE A 39 7.954 6.001 8.505 1.00 0.00 C -ATOM 667 O ILE A 39 7.095 5.136 8.305 1.00 0.00 O -ATOM 668 CB ILE A 39 6.588 8.005 7.732 1.00 0.00 C -ATOM 669 CG1 ILE A 39 6.671 9.341 6.973 1.00 0.00 C -ATOM 670 CG2 ILE A 39 6.124 8.223 9.173 1.00 0.00 C -ATOM 671 CD1 ILE A 39 5.362 10.096 6.865 1.00 0.00 C -ATOM 672 H ILE A 39 7.641 6.855 5.632 1.00 0.00 H -ATOM 673 HA ILE A 39 8.724 7.956 8.089 1.00 0.00 H -ATOM 674 HB ILE A 39 5.866 7.374 7.236 1.00 0.00 H -ATOM 675 HG12 ILE A 39 7.373 9.985 7.481 1.00 0.00 H -ATOM 676 HG13 ILE A 39 7.033 9.152 5.973 1.00 0.00 H -ATOM 677 HG21 ILE A 39 5.148 8.685 9.173 1.00 0.00 H -ATOM 678 HG22 ILE A 39 6.824 8.872 9.676 1.00 0.00 H -ATOM 679 HG23 ILE A 39 6.078 7.275 9.688 1.00 0.00 H -ATOM 680 HD11 ILE A 39 5.003 10.351 7.851 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.634 9.477 6.360 1.00 0.00 H -ATOM 682 HD13 ILE A 39 5.526 10.996 6.292 1.00 0.00 H -ATOM 683 N GLU A 40 8.899 5.898 9.443 1.00 0.00 N -ATOM 684 CA GLU A 40 9.113 4.685 10.249 1.00 0.00 C -ATOM 685 C GLU A 40 7.880 4.250 11.035 1.00 0.00 C -ATOM 686 O GLU A 40 7.674 3.063 11.264 1.00 0.00 O -ATOM 687 CB GLU A 40 10.294 4.845 11.199 1.00 0.00 C -ATOM 688 CG GLU A 40 10.165 6.018 12.147 1.00 0.00 C -ATOM 689 CD GLU A 40 11.238 6.055 13.191 1.00 0.00 C -ATOM 690 OE1 GLU A 40 11.199 5.234 14.133 1.00 0.00 O -ATOM 691 OE2 GLU A 40 12.134 6.908 13.098 1.00 0.00 O -ATOM 692 H GLU A 40 9.477 6.675 9.602 1.00 0.00 H -ATOM 693 HA GLU A 40 9.361 3.905 9.547 1.00 0.00 H -ATOM 694 HB2 GLU A 40 10.367 3.943 11.790 1.00 0.00 H -ATOM 695 HB3 GLU A 40 11.195 4.948 10.615 1.00 0.00 H -ATOM 696 HG2 GLU A 40 10.241 6.924 11.564 1.00 0.00 H -ATOM 697 HG3 GLU A 40 9.198 5.981 12.625 1.00 0.00 H -ATOM 698 N ALA A 41 7.044 5.207 11.396 1.00 0.00 N -ATOM 699 CA ALA A 41 5.855 4.937 12.189 1.00 0.00 C -ATOM 700 C ALA A 41 4.827 4.123 11.407 1.00 0.00 C -ATOM 701 O ALA A 41 3.914 3.541 11.982 1.00 0.00 O -ATOM 702 CB ALA A 41 5.245 6.238 12.679 1.00 0.00 C -ATOM 703 H ALA A 41 7.246 6.125 11.116 1.00 0.00 H -ATOM 704 HA ALA A 41 6.164 4.364 13.050 1.00 0.00 H -ATOM 705 HB1 ALA A 41 5.986 6.800 13.228 1.00 0.00 H -ATOM 706 HB2 ALA A 41 4.405 6.022 13.325 1.00 0.00 H -ATOM 707 HB3 ALA A 41 4.908 6.818 11.834 1.00 0.00 H -ATOM 708 N ASN A 42 4.987 4.067 10.101 1.00 0.00 N -ATOM 709 CA ASN A 42 4.047 3.343 9.265 1.00 0.00 C -ATOM 710 C ASN A 42 4.595 2.002 8.839 1.00 0.00 C -ATOM 711 O ASN A 42 3.896 1.235 8.179 1.00 0.00 O -ATOM 712 CB ASN A 42 3.648 4.157 8.018 1.00 0.00 C -ATOM 713 CG ASN A 42 2.786 5.368 8.317 1.00 0.00 C -ATOM 714 OD1 ASN A 42 2.021 5.388 9.282 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.882 6.379 7.486 1.00 0.00 N -ATOM 716 H ASN A 42 5.764 4.506 9.688 1.00 0.00 H -ATOM 717 HA ASN A 42 3.159 3.171 9.854 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.545 4.513 7.539 1.00 0.00 H -ATOM 719 HB3 ASN A 42 3.112 3.514 7.334 1.00 0.00 H -ATOM 720 HD21 ASN A 42 3.496 6.303 6.726 1.00 0.00 H -ATOM 721 HD22 ASN A 42 2.324 7.169 7.652 1.00 0.00 H -ATOM 722 N LYS A 43 5.816 1.692 9.236 1.00 0.00 N -ATOM 723 CA LYS A 43 6.454 0.463 8.794 1.00 0.00 C -ATOM 724 C LYS A 43 5.868 -0.747 9.490 1.00 0.00 C -ATOM 725 O LYS A 43 5.449 -0.675 10.653 1.00 0.00 O -ATOM 726 CB LYS A 43 7.984 0.506 8.987 1.00 0.00 C -ATOM 727 CG LYS A 43 8.622 1.689 8.320 1.00 0.00 C -ATOM 728 CD LYS A 43 10.146 1.673 8.346 1.00 0.00 C -ATOM 729 CE LYS A 43 10.726 0.760 7.269 1.00 0.00 C -ATOM 730 NZ LYS A 43 12.198 0.900 7.153 1.00 0.00 N -ATOM 731 H LYS A 43 6.292 2.278 9.865 1.00 0.00 H -ATOM 732 HA LYS A 43 6.249 0.367 7.738 1.00 0.00 H -ATOM 733 HB2 LYS A 43 8.208 0.590 10.042 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.430 -0.393 8.592 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.301 1.699 7.287 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.251 2.581 8.802 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.509 2.678 8.192 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.467 1.325 9.317 1.00 0.00 H -ATOM 739 HE2 LYS A 43 10.489 -0.266 7.512 1.00 0.00 H -ATOM 740 HE3 LYS A 43 10.275 1.014 6.321 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 12.526 0.484 6.253 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 12.682 0.399 7.923 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.504 1.893 7.176 1.00 0.00 H -ATOM 744 N LEU A 44 5.787 -1.831 8.764 1.00 0.00 N -ATOM 745 CA LEU A 44 5.348 -3.077 9.313 1.00 0.00 C -ATOM 746 C LEU A 44 6.451 -3.643 10.163 1.00 0.00 C -ATOM 747 O LEU A 44 7.626 -3.655 9.754 1.00 0.00 O -ATOM 748 CB LEU A 44 4.967 -4.075 8.222 1.00 0.00 C -ATOM 749 CG LEU A 44 3.748 -3.763 7.370 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.478 -4.905 6.414 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.553 -3.527 8.242 1.00 0.00 C -ATOM 752 H LEU A 44 6.054 -1.774 7.817 1.00 0.00 H -ATOM 753 HA LEU A 44 4.489 -2.886 9.939 1.00 0.00 H -ATOM 754 HB2 LEU A 44 5.801 -4.117 7.540 1.00 0.00 H -ATOM 755 HB3 LEU A 44 4.832 -5.046 8.675 1.00 0.00 H -ATOM 756 HG LEU A 44 3.932 -2.870 6.789 1.00 0.00 H -ATOM 757 HD11 LEU A 44 4.324 -5.042 5.757 1.00 0.00 H -ATOM 758 HD12 LEU A 44 2.597 -4.684 5.832 1.00 0.00 H -ATOM 759 HD13 LEU A 44 3.312 -5.811 6.978 1.00 0.00 H -ATOM 760 HD21 LEU A 44 2.725 -2.643 8.834 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.424 -4.379 8.892 1.00 0.00 H -ATOM 762 HD23 LEU A 44 1.671 -3.399 7.633 1.00 0.00 H -ATOM 763 N ARG A 45 6.093 -4.085 11.331 1.00 0.00 N -ATOM 764 CA ARG A 45 7.044 -4.586 12.281 1.00 0.00 C -ATOM 765 C ARG A 45 7.552 -5.959 11.834 1.00 0.00 C -ATOM 766 O ARG A 45 6.810 -6.945 11.867 1.00 0.00 O -ATOM 767 CB ARG A 45 6.380 -4.671 13.653 1.00 0.00 C -ATOM 768 CG ARG A 45 7.329 -4.572 14.834 1.00 0.00 C -ATOM 769 CD ARG A 45 7.962 -3.188 14.888 1.00 0.00 C -ATOM 770 NE ARG A 45 8.742 -2.982 16.105 1.00 0.00 N -ATOM 771 CZ ARG A 45 9.357 -1.841 16.439 1.00 0.00 C -ATOM 772 NH1 ARG A 45 9.314 -0.788 15.634 1.00 0.00 N -ATOM 773 NH2 ARG A 45 10.004 -1.763 17.582 1.00 0.00 N -ATOM 774 H ARG A 45 5.146 -4.068 11.580 1.00 0.00 H -ATOM 775 HA ARG A 45 7.876 -3.901 12.334 1.00 0.00 H -ATOM 776 HB2 ARG A 45 5.666 -3.865 13.733 1.00 0.00 H -ATOM 777 HB3 ARG A 45 5.846 -5.608 13.718 1.00 0.00 H -ATOM 778 HG2 ARG A 45 6.780 -4.747 15.748 1.00 0.00 H -ATOM 779 HG3 ARG A 45 8.106 -5.314 14.726 1.00 0.00 H -ATOM 780 HD2 ARG A 45 8.625 -3.066 14.045 1.00 0.00 H -ATOM 781 HD3 ARG A 45 7.182 -2.443 14.845 1.00 0.00 H -ATOM 782 HE ARG A 45 8.787 -3.753 16.716 1.00 0.00 H -ATOM 783 HH11 ARG A 45 8.818 -0.813 14.762 1.00 0.00 H -ATOM 784 HH12 ARG A 45 9.783 0.074 15.839 1.00 0.00 H -ATOM 785 HH21 ARG A 45 10.051 -2.541 18.217 1.00 0.00 H -ATOM 786 HH22 ARG A 45 10.486 -0.940 17.895 1.00 0.00 H -ATOM 787 N GLY A 46 8.787 -6.000 11.381 1.00 0.00 N -ATOM 788 CA GLY A 46 9.392 -7.239 10.942 1.00 0.00 C -ATOM 789 C GLY A 46 9.185 -7.500 9.467 1.00 0.00 C -ATOM 790 O GLY A 46 9.072 -8.646 9.046 1.00 0.00 O -ATOM 791 H GLY A 46 9.307 -5.170 11.352 1.00 0.00 H -ATOM 792 HA2 GLY A 46 10.451 -7.202 11.144 1.00 0.00 H -ATOM 793 HA3 GLY A 46 8.953 -8.053 11.501 1.00 0.00 H -ATOM 794 N MET A 47 9.132 -6.445 8.682 1.00 0.00 N -ATOM 795 CA MET A 47 8.916 -6.561 7.244 1.00 0.00 C -ATOM 796 C MET A 47 9.897 -5.676 6.494 1.00 0.00 C -ATOM 797 O MET A 47 10.207 -4.569 6.960 1.00 0.00 O -ATOM 798 CB MET A 47 7.487 -6.164 6.899 1.00 0.00 C -ATOM 799 CG MET A 47 6.436 -7.179 7.327 1.00 0.00 C -ATOM 800 SD MET A 47 6.371 -8.617 6.250 1.00 0.00 S -ATOM 801 CE MET A 47 5.605 -7.904 4.788 1.00 0.00 C -ATOM 802 H MET A 47 9.252 -5.550 9.065 1.00 0.00 H -ATOM 803 HA MET A 47 9.066 -7.598 6.987 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.297 -5.232 7.404 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.415 -6.010 5.832 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.654 -7.510 8.331 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.471 -6.694 7.312 1.00 0.00 H -ATOM 808 HE1 MET A 47 6.207 -7.090 4.410 1.00 0.00 H -ATOM 809 HE2 MET A 47 4.623 -7.535 5.050 1.00 0.00 H -ATOM 810 HE3 MET A 47 5.500 -8.660 4.025 1.00 0.00 H -ATOM 811 N PRO A 48 10.408 -6.126 5.332 1.00 0.00 N -ATOM 812 CA PRO A 48 11.380 -5.363 4.545 1.00 0.00 C -ATOM 813 C PRO A 48 10.763 -4.125 3.880 1.00 0.00 C -ATOM 814 O PRO A 48 10.144 -4.218 2.810 1.00 0.00 O -ATOM 815 CB PRO A 48 11.875 -6.358 3.478 1.00 0.00 C -ATOM 816 CG PRO A 48 11.331 -7.686 3.887 1.00 0.00 C -ATOM 817 CD PRO A 48 10.089 -7.407 4.681 1.00 0.00 C -ATOM 818 HA PRO A 48 12.210 -5.048 5.161 1.00 0.00 H -ATOM 819 HB2 PRO A 48 11.502 -6.063 2.509 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.954 -6.369 3.467 1.00 0.00 H -ATOM 821 HG2 PRO A 48 11.098 -8.272 3.010 1.00 0.00 H -ATOM 822 HG3 PRO A 48 12.056 -8.205 4.498 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.223 -7.322 4.042 1.00 0.00 H -ATOM 824 HD3 PRO A 48 9.949 -8.191 5.409 1.00 0.00 H -ATOM 825 N ASP A 49 10.873 -2.994 4.581 1.00 0.00 N -ATOM 826 CA ASP A 49 10.405 -1.669 4.129 1.00 0.00 C -ATOM 827 C ASP A 49 8.989 -1.660 3.627 1.00 0.00 C -ATOM 828 O ASP A 49 8.661 -1.006 2.634 1.00 0.00 O -ATOM 829 CB ASP A 49 11.375 -1.003 3.147 1.00 0.00 C -ATOM 830 CG ASP A 49 12.618 -0.521 3.852 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.593 0.570 4.450 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.636 -1.238 3.864 1.00 0.00 O -ATOM 833 H ASP A 49 11.302 -3.060 5.462 1.00 0.00 H -ATOM 834 HA ASP A 49 10.383 -1.062 5.023 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.652 -1.713 2.381 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.888 -0.156 2.686 1.00 0.00 H -ATOM 837 N CYS A 50 8.143 -2.363 4.331 1.00 0.00 N -ATOM 838 CA CYS A 50 6.752 -2.379 4.020 1.00 0.00 C -ATOM 839 C CYS A 50 6.058 -1.432 4.983 1.00 0.00 C -ATOM 840 O CYS A 50 6.428 -1.364 6.160 1.00 0.00 O -ATOM 841 CB CYS A 50 6.213 -3.794 4.170 1.00 0.00 C -ATOM 842 SG CYS A 50 7.141 -5.033 3.232 1.00 0.00 S -ATOM 843 H CYS A 50 8.474 -2.885 5.090 1.00 0.00 H -ATOM 844 HA CYS A 50 6.613 -2.038 3.006 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.250 -4.073 5.212 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.188 -3.821 3.831 1.00 0.00 H -ATOM 847 HG CYS A 50 8.283 -4.479 2.834 1.00 0.00 H -ATOM 848 N TYR A 51 5.090 -0.714 4.501 1.00 0.00 N -ATOM 849 CA TYR A 51 4.396 0.290 5.271 1.00 0.00 C -ATOM 850 C TYR A 51 2.905 0.073 5.140 1.00 0.00 C -ATOM 851 O TYR A 51 2.428 -0.389 4.092 1.00 0.00 O -ATOM 852 CB TYR A 51 4.737 1.709 4.762 1.00 0.00 C -ATOM 853 CG TYR A 51 6.198 2.137 4.847 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.185 1.530 4.080 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.579 3.169 5.674 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.502 1.937 4.150 1.00 0.00 C -ATOM 857 CE2 TYR A 51 7.891 3.579 5.744 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.847 2.961 4.984 1.00 0.00 C -ATOM 859 OH TYR A 51 10.164 3.371 5.068 1.00 0.00 O -ATOM 860 H TYR A 51 4.803 -0.853 3.570 1.00 0.00 H -ATOM 861 HA TYR A 51 4.687 0.208 6.306 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.443 1.783 3.725 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.153 2.414 5.336 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.910 0.716 3.425 1.00 0.00 H -ATOM 865 HD2 TYR A 51 5.832 3.660 6.277 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.252 1.449 3.543 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.164 4.389 6.404 1.00 0.00 H -ATOM 868 HH TYR A 51 10.566 3.343 4.189 1.00 0.00 H -ATOM 869 N LYS A 52 2.185 0.367 6.196 1.00 0.00 N -ATOM 870 CA LYS A 52 0.749 0.240 6.217 1.00 0.00 C -ATOM 871 C LYS A 52 0.085 1.604 6.382 1.00 0.00 C -ATOM 872 O LYS A 52 0.568 2.471 7.132 1.00 0.00 O -ATOM 873 CB LYS A 52 0.358 -0.638 7.403 1.00 0.00 C -ATOM 874 CG LYS A 52 0.887 -0.074 8.709 1.00 0.00 C -ATOM 875 CD LYS A 52 0.717 -0.987 9.866 1.00 0.00 C -ATOM 876 CE LYS A 52 1.491 -0.447 11.042 1.00 0.00 C -ATOM 877 NZ LYS A 52 0.803 0.676 11.724 1.00 0.00 N -ATOM 878 H LYS A 52 2.629 0.668 7.025 1.00 0.00 H -ATOM 879 HA LYS A 52 0.412 -0.240 5.311 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.720 -0.696 7.458 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.766 -1.627 7.262 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.939 0.138 8.603 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.362 0.848 8.907 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -0.331 -1.029 10.119 1.00 0.00 H -ATOM 885 HD3 LYS A 52 1.072 -1.976 9.624 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.705 -1.257 11.711 1.00 0.00 H -ATOM 887 HE3 LYS A 52 2.439 -0.090 10.666 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 0.662 1.504 11.112 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 1.342 0.970 12.565 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 -0.127 0.359 12.071 1.00 0.00 H -ATOM 891 N ILE A 53 -0.982 1.798 5.685 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.824 2.944 5.886 1.00 0.00 C -ATOM 893 C ILE A 53 -3.202 2.422 6.182 1.00 0.00 C -ATOM 894 O ILE A 53 -3.704 1.561 5.454 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.881 3.908 4.655 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.486 4.489 4.353 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -2.892 5.040 4.900 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.459 5.477 3.199 1.00 0.00 C -ATOM 899 H ILE A 53 -1.227 1.140 4.994 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.457 3.475 6.753 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.218 3.341 3.801 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.121 5.000 5.231 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.184 3.675 4.116 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -2.935 5.689 4.038 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.594 5.630 5.755 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.876 4.631 5.081 1.00 0.00 H -ATOM 907 HD11 ILE A 53 -1.074 6.329 3.446 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -0.849 5.007 2.308 1.00 0.00 H -ATOM 909 HD13 ILE A 53 0.556 5.803 3.022 1.00 0.00 H -ATOM 910 N LYS A 54 -3.781 2.866 7.258 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.102 2.447 7.596 1.00 0.00 C -ATOM 912 C LYS A 54 -6.088 3.535 7.304 1.00 0.00 C -ATOM 913 O LYS A 54 -5.766 4.724 7.404 1.00 0.00 O -ATOM 914 CB LYS A 54 -5.206 1.878 9.035 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.596 2.724 10.142 1.00 0.00 C -ATOM 916 CD LYS A 54 -5.366 3.990 10.433 1.00 0.00 C -ATOM 917 CE LYS A 54 -4.622 4.802 11.439 1.00 0.00 C -ATOM 918 NZ LYS A 54 -5.316 6.055 11.785 1.00 0.00 N -ATOM 919 H LYS A 54 -3.330 3.527 7.827 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.321 1.653 6.904 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -6.251 1.743 9.272 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.731 0.909 9.051 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.569 2.136 11.048 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -3.587 2.981 9.856 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -5.477 4.555 9.519 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -6.338 3.735 10.828 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -4.484 4.190 12.316 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -3.666 5.017 10.986 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -4.760 6.587 12.485 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -6.248 5.848 12.197 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -5.454 6.650 10.946 1.00 0.00 H -ATOM 932 N LEU A 55 -7.241 3.158 6.893 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.238 4.110 6.584 1.00 0.00 C -ATOM 934 C LEU A 55 -8.976 4.468 7.859 1.00 0.00 C -ATOM 935 O LEU A 55 -9.159 3.624 8.736 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.201 3.548 5.540 1.00 0.00 C -ATOM 937 CG LEU A 55 -10.044 4.574 4.803 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -9.155 5.450 3.983 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -11.070 3.909 3.926 1.00 0.00 C -ATOM 940 H LEU A 55 -7.429 2.198 6.781 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.754 4.989 6.186 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.624 2.998 4.811 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.868 2.858 6.035 1.00 0.00 H -ATOM 944 HG LEU A 55 -10.558 5.233 5.488 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -8.534 4.830 3.353 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -8.550 6.082 4.615 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -9.795 6.049 3.357 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.717 3.281 4.522 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -10.564 3.322 3.175 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -11.654 4.681 3.447 1.00 0.00 H -ATOM 951 N ARG A 56 -9.346 5.708 7.984 1.00 0.00 N -ATOM 952 CA ARG A 56 -10.085 6.162 9.144 1.00 0.00 C -ATOM 953 C ARG A 56 -11.574 6.014 8.878 1.00 0.00 C -ATOM 954 O ARG A 56 -12.368 5.769 9.781 1.00 0.00 O -ATOM 955 CB ARG A 56 -9.746 7.618 9.430 1.00 0.00 C -ATOM 956 CG ARG A 56 -10.430 8.192 10.655 1.00 0.00 C -ATOM 957 CD ARG A 56 -10.089 9.649 10.804 1.00 0.00 C -ATOM 958 NE ARG A 56 -10.728 10.262 11.967 1.00 0.00 N -ATOM 959 CZ ARG A 56 -10.598 11.545 12.294 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -9.906 12.357 11.505 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -11.183 12.022 13.386 1.00 0.00 N -ATOM 962 H ARG A 56 -9.095 6.349 7.288 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.807 5.555 9.992 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -8.679 7.704 9.571 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -10.033 8.212 8.575 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -11.498 8.084 10.549 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -10.093 7.658 11.530 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -9.018 9.751 10.904 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -10.418 10.165 9.916 1.00 0.00 H -ATOM 970 HE ARG A 56 -11.266 9.652 12.522 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -9.472 12.035 10.658 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -9.794 13.331 11.724 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -11.742 11.453 13.998 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -11.073 12.981 13.662 1.00 0.00 H -ATOM 975 N SER A 57 -11.928 6.139 7.620 1.00 0.00 N -ATOM 976 CA SER A 57 -13.294 6.062 7.167 1.00 0.00 C -ATOM 977 C SER A 57 -13.877 4.642 7.392 1.00 0.00 C -ATOM 978 O SER A 57 -15.073 4.479 7.639 1.00 0.00 O -ATOM 979 CB SER A 57 -13.290 6.411 5.688 1.00 0.00 C -ATOM 980 OG SER A 57 -12.356 7.471 5.446 1.00 0.00 O -ATOM 981 H SER A 57 -11.260 6.331 6.930 1.00 0.00 H -ATOM 982 HA SER A 57 -13.884 6.795 7.695 1.00 0.00 H -ATOM 983 HB2 SER A 57 -12.996 5.542 5.119 1.00 0.00 H -ATOM 984 HB3 SER A 57 -14.273 6.732 5.379 1.00 0.00 H -ATOM 985 HG SER A 57 -12.754 8.330 5.644 1.00 0.00 H -ATOM 986 N SER A 58 -13.012 3.642 7.346 1.00 0.00 N -ATOM 987 CA SER A 58 -13.392 2.261 7.494 1.00 0.00 C -ATOM 988 C SER A 58 -12.107 1.485 7.780 1.00 0.00 C -ATOM 989 O SER A 58 -11.037 1.967 7.440 1.00 0.00 O -ATOM 990 CB SER A 58 -14.064 1.786 6.193 1.00 0.00 C -ATOM 991 OG SER A 58 -14.601 0.476 6.297 1.00 0.00 O -ATOM 992 H SER A 58 -12.052 3.811 7.232 1.00 0.00 H -ATOM 993 HA SER A 58 -14.075 2.170 8.326 1.00 0.00 H -ATOM 994 HB2 SER A 58 -14.869 2.461 5.947 1.00 0.00 H -ATOM 995 HB3 SER A 58 -13.338 1.802 5.393 1.00 0.00 H -ATOM 996 HG SER A 58 -15.118 0.377 7.105 1.00 0.00 H -ATOM 997 N GLY A 59 -12.207 0.303 8.369 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.026 -0.450 8.800 1.00 0.00 C -ATOM 999 C GLY A 59 -10.267 -1.160 7.685 1.00 0.00 C -ATOM 1000 O GLY A 59 -9.942 -2.352 7.797 1.00 0.00 O -ATOM 1001 H GLY A 59 -13.090 -0.096 8.521 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.345 0.234 9.284 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.337 -1.185 9.527 1.00 0.00 H -ATOM 1004 N TYR A 60 -9.952 -0.446 6.649 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.190 -0.982 5.552 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.748 -0.579 5.698 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.450 0.510 6.183 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.740 -0.514 4.207 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.004 -1.219 3.759 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.232 -0.973 4.358 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -10.958 -2.131 2.718 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.376 -1.622 3.927 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.090 -2.778 2.280 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.296 -2.523 2.885 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.434 -3.166 2.441 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.210 0.503 6.642 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.258 -2.059 5.605 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -9.963 0.541 4.271 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -8.987 -0.666 3.449 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.288 -0.266 5.173 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.009 -2.329 2.245 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.324 -1.419 4.404 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.027 -3.483 1.466 1.00 0.00 H -ATOM 1024 HH TYR A 60 -14.212 -4.103 2.317 1.00 0.00 H -ATOM 1025 N ARG A 61 -6.870 -1.461 5.332 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.453 -1.228 5.395 1.00 0.00 C -ATOM 1027 C ARG A 61 -4.859 -1.418 4.028 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.296 -2.287 3.260 1.00 0.00 O -ATOM 1029 CB ARG A 61 -4.735 -2.176 6.386 1.00 0.00 C -ATOM 1030 CG ARG A 61 -4.883 -1.861 7.882 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.305 -2.010 8.405 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.360 -1.803 9.853 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -7.350 -2.196 10.665 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -8.490 -2.683 10.168 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.215 -2.041 11.969 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.164 -2.318 4.949 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.294 -0.207 5.708 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.111 -3.175 6.229 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -3.682 -2.173 6.146 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.248 -2.534 8.439 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -4.547 -0.850 8.048 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -6.931 -1.276 7.920 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.669 -3.001 8.176 1.00 0.00 H -ATOM 1044 HE ARG A 61 -5.561 -1.365 10.233 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -8.671 -2.769 9.185 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -9.231 -3.005 10.767 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -6.391 -1.632 12.364 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -7.919 -2.319 12.632 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.913 -0.613 3.715 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.211 -0.716 2.483 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.743 -0.932 2.822 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.170 -0.180 3.621 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.468 0.558 1.640 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.955 0.584 0.189 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.638 1.696 -0.577 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.466 0.816 0.142 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.667 0.106 4.342 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.585 -1.583 1.960 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.536 0.718 1.610 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.024 1.390 2.168 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.176 -0.357 -0.294 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.437 2.641 -0.094 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -4.702 1.516 -0.608 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.243 1.712 -1.582 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.258 1.756 0.629 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.138 0.854 -0.887 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -0.958 0.018 0.662 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.164 -1.972 2.261 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.204 -2.349 2.541 1.00 0.00 C -ATOM 1070 C VAL A 63 1.045 -2.236 1.273 1.00 0.00 C -ATOM 1071 O VAL A 63 0.734 -2.854 0.234 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.290 -3.802 3.097 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.731 -4.194 3.387 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.556 -3.956 4.354 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.659 -2.509 1.602 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.590 -1.669 3.285 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.095 -4.473 2.342 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 1.751 -5.200 3.781 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.142 -3.514 4.119 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 2.314 -4.146 2.480 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.204 -3.270 5.110 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.474 -4.968 4.722 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -1.588 -3.737 4.124 1.00 0.00 H -ATOM 1084 N TYR A 64 2.089 -1.462 1.352 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.970 -1.236 0.233 1.00 0.00 C -ATOM 1086 C TYR A 64 4.410 -1.317 0.679 1.00 0.00 C -ATOM 1087 O TYR A 64 4.686 -1.193 1.858 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.681 0.129 -0.436 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.778 1.354 0.462 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 3.994 1.815 0.956 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.649 2.066 0.778 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.059 2.940 1.739 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.703 3.186 1.557 1.00 0.00 C -ATOM 1094 CZ TYR A 64 2.912 3.622 2.039 1.00 0.00 C -ATOM 1095 OH TYR A 64 2.969 4.738 2.831 1.00 0.00 O -ATOM 1096 H TYR A 64 2.299 -1.029 2.213 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.788 -2.019 -0.487 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.344 0.282 -1.273 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.669 0.095 -0.814 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.896 1.268 0.721 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.701 1.720 0.397 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.011 3.284 2.113 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.789 3.716 1.780 1.00 0.00 H -ATOM 1104 HH TYR A 64 2.268 4.682 3.485 1.00 0.00 H -ATOM 1105 N GLN A 65 5.303 -1.554 -0.232 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.703 -1.543 0.095 1.00 0.00 C -ATOM 1107 C GLN A 65 7.355 -0.356 -0.591 1.00 0.00 C -ATOM 1108 O GLN A 65 7.011 -0.020 -1.737 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.400 -2.862 -0.284 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.493 -3.138 -1.777 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.173 -4.451 -2.076 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.531 -5.481 -2.214 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.483 -4.438 -2.120 1.00 0.00 N -ATOM 1114 H GLN A 65 5.020 -1.724 -1.160 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.780 -1.386 1.161 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.405 -2.838 0.112 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.866 -3.675 0.183 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.494 -3.165 -2.187 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 8.052 -2.341 -2.245 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.977 -3.605 -1.958 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.929 -5.292 -2.302 1.00 0.00 H -ATOM 1122 N VAL A 66 8.241 0.300 0.098 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.911 1.441 -0.467 1.00 0.00 C -ATOM 1124 C VAL A 66 10.260 1.034 -1.007 1.00 0.00 C -ATOM 1125 O VAL A 66 11.167 0.640 -0.260 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.057 2.608 0.556 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.884 3.754 -0.020 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.686 3.124 0.959 1.00 0.00 C -ATOM 1129 H VAL A 66 8.470 -0.003 1.005 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.307 1.782 -1.295 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.551 2.236 1.440 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 10.868 3.387 -0.276 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 9.977 4.534 0.722 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.400 4.144 -0.902 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.167 3.494 0.088 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.799 3.918 1.682 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 7.116 2.318 1.398 1.00 0.00 H -ATOM 1138 N ILE A 67 10.382 1.077 -2.298 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.618 0.781 -2.923 1.00 0.00 C -ATOM 1140 C ILE A 67 12.272 2.107 -3.266 1.00 0.00 C -ATOM 1141 O ILE A 67 11.990 2.705 -4.304 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.416 -0.058 -4.211 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.506 -1.263 -3.922 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.767 -0.539 -4.732 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 10.146 -2.075 -5.148 1.00 0.00 C -ATOM 1146 H ILE A 67 9.622 1.344 -2.863 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.239 0.238 -2.229 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.954 0.563 -4.965 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 11.005 -1.922 -3.228 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.589 -0.908 -3.476 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 13.392 0.309 -4.964 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 12.622 -1.135 -5.621 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.248 -1.138 -3.974 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 11.048 -2.460 -5.601 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.628 -1.445 -5.857 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 9.507 -2.897 -4.861 1.00 0.00 H -ATOM 1157 N ASP A 68 13.128 2.566 -2.395 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.799 3.854 -2.564 1.00 0.00 C -ATOM 1159 C ASP A 68 14.829 3.752 -3.659 1.00 0.00 C -ATOM 1160 O ASP A 68 15.091 4.716 -4.393 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.454 4.303 -1.260 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.198 5.607 -1.411 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 14.577 6.685 -1.299 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 16.420 5.588 -1.647 1.00 0.00 O -ATOM 1165 H ASP A 68 13.355 2.012 -1.617 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.056 4.579 -2.856 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 13.694 4.430 -0.504 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.151 3.546 -0.935 1.00 0.00 H -ATOM 1169 N GLU A 69 15.356 2.552 -3.790 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.343 2.193 -4.788 1.00 0.00 C -ATOM 1171 C GLU A 69 15.806 2.498 -6.187 1.00 0.00 C -ATOM 1172 O GLU A 69 16.531 2.984 -7.060 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.671 0.682 -4.717 1.00 0.00 C -ATOM 1174 CG GLU A 69 16.992 0.114 -3.324 1.00 0.00 C -ATOM 1175 CD GLU A 69 15.754 -0.203 -2.488 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 15.177 0.708 -1.872 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 15.336 -1.365 -2.439 1.00 0.00 O -ATOM 1178 H GLU A 69 15.090 1.874 -3.124 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.245 2.755 -4.604 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.821 0.136 -5.100 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.513 0.496 -5.364 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 17.558 -0.798 -3.446 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 17.594 0.836 -2.793 1.00 0.00 H -ATOM 1184 N LYS A 70 14.530 2.209 -6.381 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.865 2.420 -7.657 1.00 0.00 C -ATOM 1186 C LYS A 70 12.897 3.601 -7.568 1.00 0.00 C -ATOM 1187 O LYS A 70 12.151 3.861 -8.507 1.00 0.00 O -ATOM 1188 CB LYS A 70 13.107 1.160 -8.080 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.963 -0.090 -8.218 1.00 0.00 C -ATOM 1190 CD LYS A 70 13.106 -1.279 -8.616 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.908 -2.566 -8.675 1.00 0.00 C -ATOM 1192 NZ LYS A 70 13.079 -3.713 -9.103 1.00 0.00 N -ATOM 1193 H LYS A 70 14.013 1.861 -5.625 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.617 2.643 -8.398 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.359 0.954 -7.330 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.618 1.347 -9.025 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.715 0.077 -8.974 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.438 -0.298 -7.270 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 12.314 -1.398 -7.891 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.677 -1.083 -9.587 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 14.716 -2.443 -9.379 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 14.311 -2.767 -7.696 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 13.622 -4.599 -9.064 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 12.765 -3.581 -10.086 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 12.232 -3.830 -8.511 1.00 0.00 H -ATOM 1206 N VAL A 71 12.899 4.268 -6.402 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.064 5.452 -6.080 1.00 0.00 C -ATOM 1208 C VAL A 71 10.563 5.198 -6.375 1.00 0.00 C -ATOM 1209 O VAL A 71 9.815 6.069 -6.825 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.621 6.810 -6.705 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 12.509 6.899 -8.220 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 12.019 8.041 -6.034 1.00 0.00 C -ATOM 1213 H VAL A 71 13.478 3.929 -5.689 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.120 5.518 -5.001 1.00 0.00 H -ATOM 1215 HB VAL A 71 13.680 6.816 -6.490 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 13.068 6.094 -8.672 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.903 7.847 -8.556 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 11.470 6.821 -8.508 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 10.947 8.017 -6.160 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 12.417 8.932 -6.495 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 12.258 8.038 -4.981 1.00 0.00 H -ATOM 1222 N VAL A 72 10.121 4.011 -6.035 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.760 3.613 -6.276 1.00 0.00 C -ATOM 1224 C VAL A 72 8.157 2.966 -5.031 1.00 0.00 C -ATOM 1225 O VAL A 72 8.825 2.228 -4.296 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.634 2.660 -7.525 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.457 1.396 -7.356 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.176 2.310 -7.832 1.00 0.00 C -ATOM 1229 H VAL A 72 10.724 3.389 -5.573 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.204 4.516 -6.479 1.00 0.00 H -ATOM 1231 HB VAL A 72 9.039 3.192 -8.376 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 10.490 1.673 -7.218 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 9.356 0.783 -8.239 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 9.109 0.852 -6.489 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 7.129 1.660 -8.693 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.616 3.211 -8.031 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.744 1.807 -6.979 1.00 0.00 H -ATOM 1238 N VAL A 73 6.940 3.304 -4.780 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.159 2.757 -3.728 1.00 0.00 C -ATOM 1240 C VAL A 73 5.242 1.720 -4.369 1.00 0.00 C -ATOM 1241 O VAL A 73 4.396 2.055 -5.210 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.326 3.875 -3.052 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.456 3.322 -1.960 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.235 4.963 -2.501 1.00 0.00 C -ATOM 1245 H VAL A 73 6.505 3.973 -5.353 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.810 2.290 -3.004 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.692 4.321 -3.804 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 5.076 2.860 -1.206 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 3.785 2.584 -2.375 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.884 4.122 -1.512 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 6.798 5.403 -3.311 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 6.916 4.535 -1.781 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 5.638 5.726 -2.022 1.00 0.00 H -ATOM 1254 N PHE A 74 5.431 0.488 -4.009 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.732 -0.604 -4.643 1.00 0.00 C -ATOM 1256 C PHE A 74 3.696 -1.197 -3.701 1.00 0.00 C -ATOM 1257 O PHE A 74 4.047 -1.777 -2.672 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.759 -1.664 -5.078 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.192 -2.848 -5.811 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.804 -2.737 -7.134 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 5.064 -4.077 -5.179 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.298 -3.824 -7.815 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.560 -5.167 -5.854 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.177 -5.040 -7.174 1.00 0.00 C -ATOM 1265 H PHE A 74 6.055 0.291 -3.274 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.235 -0.227 -5.524 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.480 -1.198 -5.733 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.275 -2.028 -4.202 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 4.899 -1.786 -7.636 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.364 -4.174 -4.146 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 3.997 -3.724 -8.846 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.466 -6.119 -5.354 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.782 -5.893 -7.705 1.00 0.00 H -ATOM 1274 N VAL A 75 2.434 -1.032 -4.043 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.341 -1.553 -3.247 1.00 0.00 C -ATOM 1276 C VAL A 75 1.240 -3.048 -3.458 1.00 0.00 C -ATOM 1277 O VAL A 75 1.052 -3.513 -4.589 1.00 0.00 O -ATOM 1278 CB VAL A 75 -0.010 -0.873 -3.605 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.156 -1.419 -2.750 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.098 0.640 -3.453 1.00 0.00 C -ATOM 1281 H VAL A 75 2.240 -0.550 -4.879 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.567 -1.369 -2.207 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.235 -1.093 -4.639 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -2.079 -0.922 -3.011 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -0.943 -1.252 -1.704 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -1.260 -2.481 -2.921 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.857 1.012 -4.126 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 0.371 0.884 -2.437 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 -0.852 1.097 -3.692 1.00 0.00 H -ATOM 1290 N ILE A 76 1.355 -3.792 -2.385 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.358 -5.235 -2.458 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.048 -5.763 -2.204 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.527 -6.675 -2.889 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.303 -5.842 -1.378 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.698 -5.202 -1.438 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.417 -7.357 -1.558 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.622 -5.649 -0.319 1.00 0.00 C -ATOM 1298 H ILE A 76 1.431 -3.357 -1.505 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.703 -5.542 -3.434 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.868 -5.651 -0.409 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.167 -5.467 -2.374 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.600 -4.127 -1.383 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 2.788 -7.573 -2.550 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 1.447 -7.814 -1.429 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 3.107 -7.750 -0.827 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 5.591 -5.189 -0.446 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.729 -6.723 -0.343 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 4.209 -5.356 0.636 1.00 0.00 H -ATOM 1309 N SER A 77 -0.711 -5.195 -1.230 1.00 0.00 N -ATOM 1310 CA SER A 77 -2.024 -5.646 -0.845 1.00 0.00 C -ATOM 1311 C SER A 77 -2.840 -4.490 -0.307 1.00 0.00 C -ATOM 1312 O SER A 77 -2.289 -3.527 0.239 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.905 -6.758 0.208 1.00 0.00 C -ATOM 1314 OG SER A 77 -1.157 -7.844 -0.306 1.00 0.00 O -ATOM 1315 H SER A 77 -0.331 -4.434 -0.737 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.512 -6.049 -1.719 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.403 -6.374 1.083 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.888 -7.110 0.481 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.892 -7.605 -1.202 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.124 -4.571 -0.491 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.037 -3.566 -0.033 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.379 -4.227 0.308 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.874 -5.080 -0.453 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.198 -2.419 -1.091 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.722 -2.926 -2.432 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.063 -1.296 -0.561 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.504 -5.357 -0.942 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.627 -3.153 0.878 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.210 -2.022 -1.276 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -5.032 -3.652 -2.837 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.821 -2.100 -3.121 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -6.686 -3.391 -2.286 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -7.045 -1.677 -0.327 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -6.136 -0.521 -1.309 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -5.610 -0.890 0.332 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.918 -3.913 1.460 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.179 -4.484 1.858 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.315 -4.524 3.355 1.00 0.00 C -ATOM 1339 O GLY A 79 -7.676 -3.749 4.055 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.454 -3.301 2.077 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.987 -3.908 1.433 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.229 -5.494 1.482 1.00 0.00 H -ATOM 1343 N LYS A 80 -9.128 -5.412 3.854 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.310 -5.543 5.280 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.184 -6.363 5.897 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.562 -7.212 5.233 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.684 -6.131 5.628 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.852 -5.227 5.242 1.00 0.00 C -ATOM 1349 CD LYS A 80 -13.198 -5.792 5.691 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.545 -7.104 4.993 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -14.840 -7.646 5.461 1.00 0.00 N -ATOM 1352 H LYS A 80 -9.615 -6.006 3.244 1.00 0.00 H -ATOM 1353 HA LYS A 80 -9.248 -4.545 5.689 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.794 -7.070 5.107 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.730 -6.312 6.691 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.712 -4.262 5.708 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.861 -5.106 4.169 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -13.165 -5.967 6.755 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.966 -5.064 5.475 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -13.602 -6.929 3.930 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -12.767 -7.824 5.196 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -15.085 -8.521 4.958 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -15.611 -6.966 5.304 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -14.786 -7.865 6.478 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.919 -6.105 7.152 1.00 0.00 N -ATOM 1366 CA ALA A 81 -6.839 -6.748 7.858 1.00 0.00 C -ATOM 1367 C ALA A 81 -7.326 -7.258 9.192 1.00 0.00 C -ATOM 1368 O ALA A 81 -6.542 -7.346 10.146 1.00 0.00 O -ATOM 1369 CB ALA A 81 -5.716 -5.759 8.067 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.484 -5.464 7.633 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.468 -7.568 7.261 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -6.063 -4.944 8.684 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -5.379 -5.376 7.116 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -4.906 -6.267 8.568 1.00 0.00 H -ATOM 1375 N GLU A 82 -8.595 -7.670 9.210 1.00 0.00 N -ATOM 1376 CA GLU A 82 -9.305 -8.145 10.403 1.00 0.00 C -ATOM 1377 C GLU A 82 -8.442 -9.136 11.173 1.00 0.00 C -ATOM 1378 O GLU A 82 -8.136 -8.936 12.341 1.00 0.00 O -ATOM 1379 CB GLU A 82 -10.605 -8.821 9.967 1.00 0.00 C -ATOM 1380 CG GLU A 82 -11.536 -9.182 11.094 1.00 0.00 C -ATOM 1381 CD GLU A 82 -12.044 -7.973 11.806 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -12.875 -7.249 11.233 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -11.612 -7.707 12.933 1.00 0.00 O -ATOM 1384 H GLU A 82 -9.085 -7.689 8.358 1.00 0.00 H -ATOM 1385 HA GLU A 82 -9.539 -7.303 11.033 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -11.133 -8.153 9.303 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -10.358 -9.723 9.428 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -12.376 -9.721 10.683 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -11.012 -9.811 11.799 1.00 0.00 H -ATOM 1390 N ALA A 83 -8.020 -10.167 10.488 1.00 0.00 N -ATOM 1391 CA ALA A 83 -7.146 -11.155 11.053 1.00 0.00 C -ATOM 1392 C ALA A 83 -5.860 -11.233 10.234 1.00 0.00 C -ATOM 1393 O ALA A 83 -5.478 -12.292 9.747 1.00 0.00 O -ATOM 1394 CB ALA A 83 -7.840 -12.510 11.136 1.00 0.00 C -ATOM 1395 H ALA A 83 -8.326 -10.270 9.562 1.00 0.00 H -ATOM 1396 HA ALA A 83 -6.897 -10.829 12.052 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -7.190 -13.213 11.636 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -8.051 -12.869 10.140 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -8.763 -12.414 11.688 1.00 0.00 H -ATOM 1400 N SER A 84 -5.213 -10.068 10.060 1.00 0.00 N -ATOM 1401 CA SER A 84 -3.918 -9.915 9.337 1.00 0.00 C -ATOM 1402 C SER A 84 -3.961 -10.453 7.883 1.00 0.00 C -ATOM 1403 O SER A 84 -2.930 -10.834 7.320 1.00 0.00 O -ATOM 1404 CB SER A 84 -2.742 -10.541 10.151 1.00 0.00 C -ATOM 1405 OG SER A 84 -2.959 -11.913 10.464 1.00 0.00 O -ATOM 1406 H SER A 84 -5.630 -9.270 10.454 1.00 0.00 H -ATOM 1407 HA SER A 84 -3.748 -8.851 9.264 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -1.830 -10.469 9.576 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -2.616 -9.989 11.070 1.00 0.00 H -ATOM 1410 HG SER A 84 -3.854 -12.144 10.176 1.00 0.00 H -ATOM 1411 N GLU A 85 -5.131 -10.351 7.256 1.00 0.00 N -ATOM 1412 CA GLU A 85 -5.369 -10.896 5.914 1.00 0.00 C -ATOM 1413 C GLU A 85 -4.380 -10.307 4.883 1.00 0.00 C -ATOM 1414 O GLU A 85 -3.657 -11.043 4.223 1.00 0.00 O -ATOM 1415 CB GLU A 85 -6.800 -10.549 5.507 1.00 0.00 C -ATOM 1416 CG GLU A 85 -7.264 -11.135 4.191 1.00 0.00 C -ATOM 1417 CD GLU A 85 -7.434 -12.628 4.217 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -8.521 -13.104 4.594 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -6.516 -13.351 3.816 1.00 0.00 O -ATOM 1420 H GLU A 85 -5.875 -9.926 7.728 1.00 0.00 H -ATOM 1421 HA GLU A 85 -5.269 -11.970 5.947 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -7.470 -10.903 6.276 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -6.887 -9.474 5.448 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -8.222 -10.701 3.945 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -6.546 -10.880 3.424 1.00 0.00 H -ATOM 1426 N VAL A 86 -4.283 -8.982 4.827 1.00 0.00 N -ATOM 1427 CA VAL A 86 -3.389 -8.329 3.858 1.00 0.00 C -ATOM 1428 C VAL A 86 -1.915 -8.425 4.263 1.00 0.00 C -ATOM 1429 O VAL A 86 -1.027 -8.149 3.470 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.775 -6.849 3.580 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -5.142 -6.771 2.927 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -3.758 -6.024 4.859 1.00 0.00 C -ATOM 1433 H VAL A 86 -4.840 -8.434 5.416 1.00 0.00 H -ATOM 1434 HA VAL A 86 -3.498 -8.885 2.937 1.00 0.00 H -ATOM 1435 HB VAL A 86 -3.049 -6.434 2.895 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -5.129 -7.321 1.998 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -5.391 -5.739 2.733 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -5.878 -7.200 3.590 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -4.460 -6.450 5.561 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -4.039 -5.005 4.637 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -2.767 -6.042 5.289 1.00 0.00 H -ATOM 1442 N TYR A 87 -1.667 -8.849 5.483 1.00 0.00 N -ATOM 1443 CA TYR A 87 -0.307 -8.983 5.975 1.00 0.00 C -ATOM 1444 C TYR A 87 0.267 -10.285 5.491 1.00 0.00 C -ATOM 1445 O TYR A 87 1.389 -10.325 5.003 1.00 0.00 O -ATOM 1446 CB TYR A 87 -0.243 -8.912 7.506 1.00 0.00 C -ATOM 1447 CG TYR A 87 -0.597 -7.561 8.109 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 -1.863 -7.012 7.966 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 0.342 -6.845 8.839 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 -2.180 -5.794 8.525 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 0.026 -5.622 9.402 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -1.237 -5.104 9.238 1.00 0.00 C -ATOM 1453 OH TYR A 87 -1.568 -3.892 9.800 1.00 0.00 O -ATOM 1454 H TYR A 87 -2.418 -9.116 6.051 1.00 0.00 H -ATOM 1455 HA TYR A 87 0.273 -8.173 5.555 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 -0.921 -9.650 7.906 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 0.760 -9.168 7.818 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 -2.607 -7.555 7.402 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 1.333 -7.253 8.964 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 -3.167 -5.377 8.400 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 0.769 -5.078 9.963 1.00 0.00 H -ATOM 1462 HH TYR A 87 -0.838 -3.272 9.718 1.00 0.00 H -ATOM 1463 N SER A 88 -0.533 -11.346 5.582 1.00 0.00 N -ATOM 1464 CA SER A 88 -0.111 -12.656 5.136 1.00 0.00 C -ATOM 1465 C SER A 88 0.068 -12.644 3.612 1.00 0.00 C -ATOM 1466 O SER A 88 0.983 -13.285 3.080 1.00 0.00 O -ATOM 1467 CB SER A 88 -1.118 -13.729 5.574 1.00 0.00 C -ATOM 1468 OG SER A 88 -0.626 -15.049 5.332 1.00 0.00 O -ATOM 1469 H SER A 88 -1.427 -11.247 5.978 1.00 0.00 H -ATOM 1470 HA SER A 88 0.844 -12.857 5.598 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -1.320 -13.621 6.629 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -2.031 -13.593 5.013 1.00 0.00 H -ATOM 1473 HG SER A 88 -0.912 -15.293 4.441 1.00 0.00 H -ATOM 1474 N GLU A 89 -0.786 -11.869 2.930 1.00 0.00 N -ATOM 1475 CA GLU A 89 -0.695 -11.690 1.480 1.00 0.00 C -ATOM 1476 C GLU A 89 0.649 -11.068 1.127 1.00 0.00 C -ATOM 1477 O GLU A 89 1.365 -11.544 0.241 1.00 0.00 O -ATOM 1478 CB GLU A 89 -1.798 -10.747 0.991 1.00 0.00 C -ATOM 1479 CG GLU A 89 -3.219 -11.246 1.158 1.00 0.00 C -ATOM 1480 CD GLU A 89 -3.521 -12.437 0.304 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -3.653 -12.277 -0.924 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -3.686 -13.552 0.841 1.00 0.00 O -ATOM 1483 H GLU A 89 -1.511 -11.418 3.415 1.00 0.00 H -ATOM 1484 HA GLU A 89 -0.803 -12.648 0.994 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -1.713 -9.815 1.531 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -1.628 -10.549 -0.058 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -3.371 -11.521 2.191 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -3.902 -10.449 0.902 1.00 0.00 H -ATOM 1489 N ALA A 90 0.989 -10.018 1.850 1.00 0.00 N -ATOM 1490 CA ALA A 90 2.210 -9.288 1.622 1.00 0.00 C -ATOM 1491 C ALA A 90 3.446 -10.115 1.957 1.00 0.00 C -ATOM 1492 O ALA A 90 4.295 -10.335 1.092 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.206 -7.982 2.403 1.00 0.00 C -ATOM 1494 H ALA A 90 0.380 -9.715 2.556 1.00 0.00 H -ATOM 1495 HA ALA A 90 2.240 -9.044 0.571 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 3.086 -7.408 2.152 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 2.205 -8.198 3.461 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 1.322 -7.414 2.152 1.00 0.00 H -ATOM 1499 N VAL A 91 3.519 -10.619 3.190 1.00 0.00 N -ATOM 1500 CA VAL A 91 4.707 -11.331 3.668 1.00 0.00 C -ATOM 1501 C VAL A 91 5.016 -12.573 2.832 1.00 0.00 C -ATOM 1502 O VAL A 91 6.171 -12.830 2.510 1.00 0.00 O -ATOM 1503 CB VAL A 91 4.648 -11.673 5.204 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 3.536 -12.649 5.539 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 5.989 -12.187 5.716 1.00 0.00 C -ATOM 1506 H VAL A 91 2.749 -10.506 3.794 1.00 0.00 H -ATOM 1507 HA VAL A 91 5.534 -10.655 3.507 1.00 0.00 H -ATOM 1508 HB VAL A 91 4.426 -10.752 5.723 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 2.603 -12.209 5.220 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 3.513 -12.832 6.603 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 3.694 -13.578 5.011 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 6.743 -11.428 5.577 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 6.267 -13.068 5.157 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 5.908 -12.432 6.764 1.00 0.00 H -ATOM 1515 N LYS A 92 3.994 -13.297 2.413 1.00 0.00 N -ATOM 1516 CA LYS A 92 4.221 -14.496 1.639 1.00 0.00 C -ATOM 1517 C LYS A 92 4.566 -14.219 0.189 1.00 0.00 C -ATOM 1518 O LYS A 92 5.033 -15.103 -0.520 1.00 0.00 O -ATOM 1519 CB LYS A 92 3.105 -15.533 1.801 1.00 0.00 C -ATOM 1520 CG LYS A 92 3.041 -16.146 3.203 1.00 0.00 C -ATOM 1521 CD LYS A 92 4.406 -16.708 3.647 1.00 0.00 C -ATOM 1522 CE LYS A 92 4.925 -17.800 2.715 1.00 0.00 C -ATOM 1523 NZ LYS A 92 6.330 -18.150 3.010 1.00 0.00 N -ATOM 1524 H LYS A 92 3.076 -13.020 2.628 1.00 0.00 H -ATOM 1525 HA LYS A 92 5.127 -14.920 2.048 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 2.158 -15.046 1.613 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 3.241 -16.328 1.085 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 2.736 -15.382 3.902 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 2.315 -16.946 3.202 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 5.134 -15.915 3.710 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 4.282 -17.132 4.632 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 4.315 -18.684 2.828 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 4.863 -17.449 1.696 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 6.587 -19.017 2.499 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 6.505 -18.308 4.023 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 6.956 -17.392 2.646 1.00 0.00 H -ATOM 1537 N ARG A 93 4.369 -13.000 -0.249 1.00 0.00 N -ATOM 1538 CA ARG A 93 4.766 -12.638 -1.584 1.00 0.00 C -ATOM 1539 C ARG A 93 6.180 -12.046 -1.519 1.00 0.00 C -ATOM 1540 O ARG A 93 6.876 -11.923 -2.525 1.00 0.00 O -ATOM 1541 CB ARG A 93 3.766 -11.660 -2.196 1.00 0.00 C -ATOM 1542 CG ARG A 93 3.900 -11.490 -3.702 1.00 0.00 C -ATOM 1543 CD ARG A 93 2.802 -10.595 -4.240 1.00 0.00 C -ATOM 1544 NE ARG A 93 1.463 -11.106 -3.899 1.00 0.00 N -ATOM 1545 CZ ARG A 93 0.395 -10.338 -3.681 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 0.454 -9.039 -3.948 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 -0.737 -10.878 -3.249 1.00 0.00 N -ATOM 1548 H ARG A 93 3.936 -12.333 0.326 1.00 0.00 H -ATOM 1549 HA ARG A 93 4.805 -13.544 -2.169 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 2.765 -12.009 -1.987 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 3.903 -10.695 -1.732 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 4.861 -11.048 -3.922 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 3.829 -12.458 -4.173 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 2.919 -9.608 -3.816 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 2.891 -10.540 -5.315 1.00 0.00 H -ATOM 1556 HE ARG A 93 1.402 -12.084 -3.795 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 1.287 -8.632 -4.327 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 -0.303 -8.400 -3.778 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 -0.824 -11.863 -3.077 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 -1.566 -10.341 -3.064 1.00 0.00 H -ATOM 1561 N ILE A 94 6.584 -11.688 -0.314 1.00 0.00 N -ATOM 1562 CA ILE A 94 7.923 -11.211 -0.046 1.00 0.00 C -ATOM 1563 C ILE A 94 8.857 -12.414 0.124 1.00 0.00 C -ATOM 1564 O ILE A 94 9.920 -12.489 -0.504 1.00 0.00 O -ATOM 1565 CB ILE A 94 7.969 -10.310 1.234 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 7.151 -9.017 1.041 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 9.398 -9.983 1.651 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 7.630 -8.131 -0.096 1.00 0.00 C -ATOM 1569 H ILE A 94 5.942 -11.742 0.425 1.00 0.00 H -ATOM 1570 HA ILE A 94 8.253 -10.635 -0.899 1.00 0.00 H -ATOM 1571 HB ILE A 94 7.522 -10.878 2.038 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 6.122 -9.278 0.841 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 7.192 -8.438 1.953 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 9.929 -10.899 1.861 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 9.374 -9.369 2.539 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 9.895 -9.449 0.854 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 7.027 -7.236 -0.131 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 7.531 -8.659 -1.033 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 8.663 -7.864 0.064 1.00 0.00 H -ATOM 1580 N LEU A 95 8.448 -13.355 0.951 1.00 0.00 N -ATOM 1581 CA LEU A 95 9.223 -14.542 1.191 1.00 0.00 C -ATOM 1582 C LEU A 95 8.490 -15.815 0.745 1.00 0.00 C -ATOM 1583 O LEU A 95 7.723 -16.410 1.514 1.00 0.00 O -ATOM 1584 CB LEU A 95 9.817 -14.571 2.640 1.00 0.00 C -ATOM 1585 CG LEU A 95 8.910 -14.146 3.829 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 7.918 -15.217 4.224 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 9.746 -13.733 5.022 1.00 0.00 C -ATOM 1588 OXT LEU A 95 8.649 -16.195 -0.440 1.00 0.00 O -ATOM 1589 H LEU A 95 7.589 -13.263 1.420 1.00 0.00 H -ATOM 1590 HA LEU A 95 10.046 -14.448 0.497 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 10.149 -15.580 2.836 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 10.691 -13.935 2.645 1.00 0.00 H -ATOM 1593 HG LEU A 95 8.335 -13.285 3.522 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 7.277 -15.437 3.383 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 7.323 -14.876 5.058 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 8.453 -16.111 4.506 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 10.385 -12.905 4.753 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 10.352 -14.570 5.337 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 9.094 -13.439 5.832 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 11 -ATOM 1 N MET A 1 12.294 14.052 -2.632 1.00 0.00 N -ATOM 2 CA MET A 1 11.695 13.744 -3.930 1.00 0.00 C -ATOM 3 C MET A 1 10.383 13.042 -3.707 1.00 0.00 C -ATOM 4 O MET A 1 10.239 12.314 -2.733 1.00 0.00 O -ATOM 5 CB MET A 1 12.632 12.848 -4.757 1.00 0.00 C -ATOM 6 CG MET A 1 12.099 12.457 -6.126 1.00 0.00 C -ATOM 7 SD MET A 1 13.230 11.397 -7.032 1.00 0.00 S -ATOM 8 CE MET A 1 12.270 11.076 -8.509 1.00 0.00 C -ATOM 9 H MET A 1 12.388 13.185 -2.067 1.00 0.00 H -ATOM 10 HA MET A 1 11.516 14.667 -4.460 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.562 13.371 -4.911 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.822 11.944 -4.197 1.00 0.00 H -ATOM 13 HG2 MET A 1 11.164 11.931 -6.000 1.00 0.00 H -ATOM 14 HG3 MET A 1 11.932 13.355 -6.700 1.00 0.00 H -ATOM 15 HE1 MET A 1 12.821 10.414 -9.160 1.00 0.00 H -ATOM 16 HE2 MET A 1 12.073 12.006 -9.020 1.00 0.00 H -ATOM 17 HE3 MET A 1 11.339 10.612 -8.222 1.00 0.00 H -ATOM 18 N ALA A 2 9.433 13.273 -4.583 1.00 0.00 N -ATOM 19 CA ALA A 2 8.167 12.595 -4.518 1.00 0.00 C -ATOM 20 C ALA A 2 8.302 11.294 -5.275 1.00 0.00 C -ATOM 21 O ALA A 2 8.835 11.265 -6.397 1.00 0.00 O -ATOM 22 CB ALA A 2 7.057 13.453 -5.099 1.00 0.00 C -ATOM 23 H ALA A 2 9.599 13.902 -5.317 1.00 0.00 H -ATOM 24 HA ALA A 2 7.954 12.380 -3.480 1.00 0.00 H -ATOM 25 HB1 ALA A 2 6.118 12.924 -5.028 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.277 13.657 -6.135 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.993 14.381 -4.552 1.00 0.00 H -ATOM 28 N TYR A 3 7.855 10.241 -4.677 1.00 0.00 N -ATOM 29 CA TYR A 3 8.033 8.911 -5.225 1.00 0.00 C -ATOM 30 C TYR A 3 6.949 8.567 -6.225 1.00 0.00 C -ATOM 31 O TYR A 3 5.952 9.287 -6.359 1.00 0.00 O -ATOM 32 CB TYR A 3 8.047 7.859 -4.103 1.00 0.00 C -ATOM 33 CG TYR A 3 9.206 7.953 -3.116 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.489 9.132 -2.440 1.00 0.00 C -ATOM 35 CD2 TYR A 3 9.995 6.846 -2.842 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.513 9.212 -1.534 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.019 6.917 -1.919 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.270 8.104 -1.270 1.00 0.00 C -ATOM 39 OH TYR A 3 12.265 8.177 -0.332 1.00 0.00 O -ATOM 40 H TYR A 3 7.375 10.354 -3.829 1.00 0.00 H -ATOM 41 HA TYR A 3 8.990 8.884 -5.722 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.134 7.947 -3.536 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.075 6.879 -4.557 1.00 0.00 H -ATOM 44 HD1 TYR A 3 8.890 10.005 -2.647 1.00 0.00 H -ATOM 45 HD2 TYR A 3 9.796 5.917 -3.355 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.708 10.146 -1.030 1.00 0.00 H -ATOM 47 HE2 TYR A 3 11.624 6.046 -1.716 1.00 0.00 H -ATOM 48 HH TYR A 3 13.051 7.728 -0.692 1.00 0.00 H -ATOM 49 N PHE A 4 7.164 7.485 -6.928 1.00 0.00 N -ATOM 50 CA PHE A 4 6.207 6.951 -7.866 1.00 0.00 C -ATOM 51 C PHE A 4 5.294 5.995 -7.113 1.00 0.00 C -ATOM 52 O PHE A 4 5.648 5.544 -6.031 1.00 0.00 O -ATOM 53 CB PHE A 4 6.936 6.198 -8.994 1.00 0.00 C -ATOM 54 CG PHE A 4 7.837 7.058 -9.838 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.333 7.748 -10.921 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.189 7.172 -9.548 1.00 0.00 C -ATOM 57 CE1 PHE A 4 8.153 8.538 -11.701 1.00 0.00 C -ATOM 58 CE2 PHE A 4 10.014 7.960 -10.320 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.495 8.644 -11.399 1.00 0.00 C -ATOM 60 H PHE A 4 8.015 7.007 -6.801 1.00 0.00 H -ATOM 61 HA PHE A 4 5.636 7.767 -8.282 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.558 5.441 -8.541 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.216 5.713 -9.638 1.00 0.00 H -ATOM 64 HD1 PHE A 4 6.283 7.667 -11.155 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.597 6.637 -8.702 1.00 0.00 H -ATOM 66 HE1 PHE A 4 7.740 9.071 -12.545 1.00 0.00 H -ATOM 67 HE2 PHE A 4 11.064 8.041 -10.082 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.139 9.262 -12.006 1.00 0.00 H -ATOM 69 N LEU A 5 4.149 5.693 -7.654 1.00 0.00 N -ATOM 70 CA LEU A 5 3.226 4.775 -7.004 1.00 0.00 C -ATOM 71 C LEU A 5 2.884 3.670 -8.015 1.00 0.00 C -ATOM 72 O LEU A 5 2.595 3.965 -9.181 1.00 0.00 O -ATOM 73 CB LEU A 5 1.944 5.553 -6.562 1.00 0.00 C -ATOM 74 CG LEU A 5 1.042 4.953 -5.430 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.493 3.589 -5.756 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.767 4.917 -4.101 1.00 0.00 C -ATOM 77 H LEU A 5 3.903 6.091 -8.519 1.00 0.00 H -ATOM 78 HA LEU A 5 3.713 4.343 -6.142 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.253 6.536 -6.241 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.330 5.677 -7.442 1.00 0.00 H -ATOM 81 HG LEU A 5 0.189 5.606 -5.311 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.159 3.647 -6.614 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.048 3.216 -4.897 1.00 0.00 H -ATOM 84 HD13 LEU A 5 1.314 2.920 -5.967 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.030 5.919 -3.796 1.00 0.00 H -ATOM 86 HD22 LEU A 5 2.656 4.314 -4.197 1.00 0.00 H -ATOM 87 HD23 LEU A 5 1.120 4.475 -3.359 1.00 0.00 H -ATOM 88 N ASP A 6 2.946 2.424 -7.600 1.00 0.00 N -ATOM 89 CA ASP A 6 2.604 1.305 -8.480 1.00 0.00 C -ATOM 90 C ASP A 6 1.826 0.279 -7.678 1.00 0.00 C -ATOM 91 O ASP A 6 1.952 0.241 -6.460 1.00 0.00 O -ATOM 92 CB ASP A 6 3.875 0.665 -9.050 1.00 0.00 C -ATOM 93 CG ASP A 6 3.602 -0.217 -10.250 1.00 0.00 C -ATOM 94 OD1 ASP A 6 3.239 0.331 -11.327 1.00 0.00 O -ATOM 95 OD2 ASP A 6 3.780 -1.441 -10.172 1.00 0.00 O -ATOM 96 H ASP A 6 3.229 2.223 -6.676 1.00 0.00 H -ATOM 97 HA ASP A 6 1.989 1.676 -9.285 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.587 1.428 -9.323 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.302 0.047 -8.275 1.00 0.00 H -ATOM 100 N PHE A 7 1.025 -0.524 -8.329 1.00 0.00 N -ATOM 101 CA PHE A 7 0.220 -1.534 -7.641 1.00 0.00 C -ATOM 102 C PHE A 7 0.512 -2.915 -8.193 1.00 0.00 C -ATOM 103 O PHE A 7 0.598 -3.096 -9.412 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.287 -1.286 -7.824 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.858 -0.036 -7.219 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -1.801 1.169 -7.891 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.494 -0.083 -5.993 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.364 2.303 -7.351 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -3.054 1.050 -5.444 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.991 2.245 -6.125 1.00 0.00 C -ATOM 111 H PHE A 7 0.972 -0.470 -9.308 1.00 0.00 H -ATOM 112 HA PHE A 7 0.450 -1.510 -6.586 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.497 -1.238 -8.882 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.821 -2.129 -7.412 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.306 1.216 -8.849 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.545 -1.019 -5.458 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.313 3.239 -7.886 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.545 0.999 -4.484 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.433 3.135 -5.701 1.00 0.00 H -ATOM 120 N ASP A 8 0.670 -3.876 -7.315 1.00 0.00 N -ATOM 121 CA ASP A 8 0.800 -5.287 -7.707 1.00 0.00 C -ATOM 122 C ASP A 8 -0.531 -5.771 -8.284 1.00 0.00 C -ATOM 123 O ASP A 8 -1.572 -5.187 -7.973 1.00 0.00 O -ATOM 124 CB ASP A 8 1.198 -6.156 -6.502 1.00 0.00 C -ATOM 125 CG ASP A 8 1.255 -7.631 -6.839 1.00 0.00 C -ATOM 126 OD1 ASP A 8 2.287 -8.110 -7.369 1.00 0.00 O -ATOM 127 OD2 ASP A 8 0.268 -8.335 -6.602 1.00 0.00 O -ATOM 128 H ASP A 8 0.707 -3.649 -6.358 1.00 0.00 H -ATOM 129 HA ASP A 8 1.560 -5.351 -8.472 1.00 0.00 H -ATOM 130 HB2 ASP A 8 2.173 -5.850 -6.152 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.479 -6.013 -5.710 1.00 0.00 H -ATOM 132 N GLU A 9 -0.505 -6.807 -9.126 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.720 -7.348 -9.733 1.00 0.00 C -ATOM 134 C GLU A 9 -2.779 -7.691 -8.665 1.00 0.00 C -ATOM 135 O GLU A 9 -3.957 -7.396 -8.843 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.426 -8.610 -10.568 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.820 -9.756 -9.766 1.00 0.00 C -ATOM 138 CD GLU A 9 -0.933 -11.073 -10.460 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -2.008 -11.703 -10.386 1.00 0.00 O -ATOM 140 OE2 GLU A 9 0.038 -11.529 -11.081 1.00 0.00 O -ATOM 141 H GLU A 9 0.359 -7.218 -9.350 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.126 -6.588 -10.384 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.349 -8.961 -11.008 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.740 -8.350 -11.360 1.00 0.00 H -ATOM 145 HG2 GLU A 9 0.224 -9.549 -9.587 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -1.336 -9.817 -8.820 1.00 0.00 H -ATOM 147 N ARG A 10 -2.348 -8.266 -7.538 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.265 -8.633 -6.477 1.00 0.00 C -ATOM 149 C ARG A 10 -3.807 -7.406 -5.811 1.00 0.00 C -ATOM 150 O ARG A 10 -4.990 -7.335 -5.512 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.614 -9.580 -5.466 1.00 0.00 C -ATOM 152 CG ARG A 10 -2.465 -11.014 -5.969 1.00 0.00 C -ATOM 153 CD ARG A 10 -3.818 -11.686 -6.105 1.00 0.00 C -ATOM 154 NE ARG A 10 -4.515 -11.766 -4.814 1.00 0.00 N -ATOM 155 CZ ARG A 10 -5.817 -12.039 -4.648 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -6.581 -12.317 -5.697 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -6.334 -12.061 -3.429 1.00 0.00 N -ATOM 158 H ARG A 10 -1.379 -8.414 -7.403 1.00 0.00 H -ATOM 159 HA ARG A 10 -4.097 -9.137 -6.944 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.632 -9.204 -5.223 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.215 -9.597 -4.568 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -1.981 -11.012 -6.933 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -1.876 -11.590 -5.273 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -4.425 -11.129 -6.802 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -3.669 -12.686 -6.479 1.00 0.00 H -ATOM 166 HE ARG A 10 -3.940 -11.605 -4.021 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -6.223 -12.343 -6.633 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -7.557 -12.520 -5.585 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -5.759 -11.877 -2.616 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -7.300 -12.259 -3.238 1.00 0.00 H -ATOM 171 N ALA A 11 -2.957 -6.414 -5.655 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.351 -5.155 -5.070 1.00 0.00 C -ATOM 173 C ALA A 11 -4.397 -4.480 -5.947 1.00 0.00 C -ATOM 174 O ALA A 11 -5.355 -3.934 -5.448 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.151 -4.249 -4.874 1.00 0.00 C -ATOM 176 H ALA A 11 -2.033 -6.545 -5.961 1.00 0.00 H -ATOM 177 HA ALA A 11 -3.790 -5.366 -4.105 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.699 -4.039 -5.832 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.427 -4.734 -4.233 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -2.472 -3.324 -4.421 1.00 0.00 H -ATOM 181 N LEU A 12 -4.224 -4.579 -7.263 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.165 -4.011 -8.215 1.00 0.00 C -ATOM 183 C LEU A 12 -6.496 -4.718 -8.153 1.00 0.00 C -ATOM 184 O LEU A 12 -7.540 -4.082 -8.166 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.612 -4.061 -9.637 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.558 -3.019 -9.998 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -2.993 -3.304 -11.381 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.169 -1.616 -9.962 1.00 0.00 C -ATOM 189 H LEU A 12 -3.434 -5.052 -7.609 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.317 -2.978 -7.942 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.175 -5.038 -9.782 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.440 -3.961 -10.319 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.749 -3.058 -9.283 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -2.531 -4.280 -11.388 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.255 -2.556 -11.631 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -3.792 -3.280 -12.107 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -4.526 -1.388 -8.968 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -5.002 -1.568 -10.646 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -3.424 -0.890 -10.252 1.00 0.00 H -ATOM 200 N LYS A 13 -6.452 -6.025 -8.066 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.651 -6.839 -7.997 1.00 0.00 C -ATOM 202 C LYS A 13 -8.470 -6.499 -6.761 1.00 0.00 C -ATOM 203 O LYS A 13 -9.705 -6.359 -6.832 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.267 -8.314 -8.014 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.670 -8.737 -9.337 1.00 0.00 C -ATOM 206 CD LYS A 13 -5.956 -10.065 -9.250 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.479 -10.487 -10.635 1.00 0.00 C -ATOM 208 NZ LYS A 13 -4.717 -11.755 -10.643 1.00 0.00 N -ATOM 209 H LYS A 13 -5.570 -6.461 -8.050 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.235 -6.624 -8.878 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -6.543 -8.498 -7.233 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.147 -8.912 -7.831 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.457 -8.816 -10.070 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -5.966 -7.980 -9.651 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.110 -9.917 -8.591 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -6.622 -10.806 -8.834 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -6.339 -10.606 -11.277 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -4.853 -9.701 -11.033 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -3.778 -11.671 -10.195 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -4.546 -12.043 -11.627 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -5.246 -12.521 -10.179 1.00 0.00 H -ATOM 222 N GLU A 14 -7.792 -6.354 -5.649 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.419 -5.979 -4.403 1.00 0.00 C -ATOM 224 C GLU A 14 -8.896 -4.509 -4.450 1.00 0.00 C -ATOM 225 O GLU A 14 -9.977 -4.189 -3.992 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.449 -6.232 -3.252 1.00 0.00 C -ATOM 227 CG GLU A 14 -6.998 -7.694 -3.156 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.123 -8.649 -2.829 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -8.778 -9.146 -3.751 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -8.370 -8.909 -1.641 1.00 0.00 O -ATOM 231 H GLU A 14 -6.824 -6.529 -5.645 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.285 -6.612 -4.278 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.574 -5.614 -3.392 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -7.929 -5.961 -2.323 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -6.614 -7.969 -4.127 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.204 -7.808 -2.435 1.00 0.00 H -ATOM 237 N TRP A 15 -8.091 -3.649 -5.053 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.386 -2.212 -5.213 1.00 0.00 C -ATOM 239 C TRP A 15 -9.667 -2.001 -6.039 1.00 0.00 C -ATOM 240 O TRP A 15 -10.511 -1.152 -5.716 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.180 -1.537 -5.902 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.288 -0.063 -6.139 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.738 0.552 -7.270 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.902 0.978 -5.240 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.671 1.913 -7.119 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.160 2.202 -5.883 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.371 0.995 -3.948 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.903 3.426 -5.283 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.114 2.211 -3.355 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.380 3.410 -4.020 1.00 0.00 C -ATOM 251 H TRP A 15 -7.228 -3.978 -5.391 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.517 -1.779 -4.234 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.301 -1.690 -5.292 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.023 -2.019 -6.855 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -8.092 0.025 -8.144 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.948 2.570 -7.797 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.159 0.078 -3.420 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -7.103 4.360 -5.787 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.699 2.247 -2.358 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.162 4.340 -3.516 1.00 0.00 H -ATOM 261 N ARG A 16 -9.806 -2.778 -7.097 1.00 0.00 N -ATOM 262 CA ARG A 16 -10.980 -2.704 -7.960 1.00 0.00 C -ATOM 263 C ARG A 16 -12.190 -3.318 -7.253 1.00 0.00 C -ATOM 264 O ARG A 16 -13.336 -2.957 -7.527 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.710 -3.394 -9.304 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.536 -2.790 -10.071 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.233 -3.548 -11.354 1.00 0.00 C -ATOM 268 NE ARG A 16 -10.284 -3.385 -12.364 1.00 0.00 N -ATOM 269 CZ ARG A 16 -10.338 -4.039 -13.528 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -9.486 -5.023 -13.789 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -11.272 -3.727 -14.420 1.00 0.00 N -ATOM 272 H ARG A 16 -9.078 -3.407 -7.306 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.186 -1.658 -8.133 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.493 -4.437 -9.122 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.593 -3.323 -9.922 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -9.771 -1.766 -10.321 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.663 -2.809 -9.435 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -8.301 -3.184 -11.764 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -9.133 -4.598 -11.124 1.00 0.00 H -ATOM 280 HE ARG A 16 -10.948 -2.689 -12.151 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.772 -5.326 -13.153 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -9.525 -5.528 -14.657 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -11.956 -3.009 -14.255 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -11.312 -4.172 -15.320 1.00 0.00 H -ATOM 285 N LYS A 17 -11.918 -4.241 -6.342 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.944 -4.864 -5.514 1.00 0.00 C -ATOM 287 C LYS A 17 -13.454 -3.849 -4.479 1.00 0.00 C -ATOM 288 O LYS A 17 -14.640 -3.832 -4.139 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.351 -6.082 -4.796 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.313 -6.831 -3.892 1.00 0.00 C -ATOM 291 CD LYS A 17 -12.568 -7.864 -3.069 1.00 0.00 C -ATOM 292 CE LYS A 17 -13.492 -8.625 -2.137 1.00 0.00 C -ATOM 293 NZ LYS A 17 -14.429 -9.511 -2.859 1.00 0.00 N -ATOM 294 H LYS A 17 -10.984 -4.519 -6.219 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.768 -5.183 -6.135 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -11.989 -6.777 -5.537 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.515 -5.747 -4.200 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -13.793 -6.127 -3.230 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -14.059 -7.328 -4.495 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -12.097 -8.566 -3.739 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -11.810 -7.363 -2.485 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -12.899 -9.217 -1.456 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -14.062 -7.896 -1.581 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -15.018 -10.029 -2.175 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -13.903 -10.230 -3.396 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -15.053 -9.003 -3.515 1.00 0.00 H -ATOM 307 N LEU A 18 -12.546 -3.011 -3.993 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.856 -1.980 -3.014 1.00 0.00 C -ATOM 309 C LEU A 18 -13.868 -0.986 -3.523 1.00 0.00 C -ATOM 310 O LEU A 18 -13.986 -0.742 -4.737 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.595 -1.233 -2.574 1.00 0.00 C -ATOM 312 CG LEU A 18 -11.023 -1.578 -1.201 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.671 -3.049 -1.083 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.816 -0.721 -0.930 1.00 0.00 C -ATOM 315 H LEU A 18 -11.617 -3.096 -4.298 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.269 -2.470 -2.145 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.828 -1.420 -3.311 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.820 -0.175 -2.586 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.758 -1.348 -0.443 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -10.273 -3.244 -0.099 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -9.936 -3.304 -1.833 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -11.564 -3.637 -1.236 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.406 -0.962 0.038 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -10.122 0.315 -0.944 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.073 -0.891 -1.695 1.00 0.00 H -ATOM 326 N GLY A 19 -14.584 -0.415 -2.597 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.575 0.563 -2.915 1.00 0.00 C -ATOM 328 C GLY A 19 -14.934 1.867 -3.295 1.00 0.00 C -ATOM 329 O GLY A 19 -13.801 2.152 -2.864 1.00 0.00 O -ATOM 330 H GLY A 19 -14.413 -0.651 -1.663 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.172 0.204 -3.741 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.210 0.717 -2.057 1.00 0.00 H -ATOM 333 N SER A 20 -15.651 2.656 -4.055 1.00 0.00 N -ATOM 334 CA SER A 20 -15.175 3.907 -4.604 1.00 0.00 C -ATOM 335 C SER A 20 -14.662 4.869 -3.530 1.00 0.00 C -ATOM 336 O SER A 20 -13.519 5.292 -3.577 1.00 0.00 O -ATOM 337 CB SER A 20 -16.311 4.512 -5.406 1.00 0.00 C -ATOM 338 OG SER A 20 -17.543 4.300 -4.721 1.00 0.00 O -ATOM 339 H SER A 20 -16.588 2.436 -4.246 1.00 0.00 H -ATOM 340 HA SER A 20 -14.369 3.685 -5.286 1.00 0.00 H -ATOM 341 HB2 SER A 20 -16.149 5.573 -5.516 1.00 0.00 H -ATOM 342 HB3 SER A 20 -16.368 4.045 -6.377 1.00 0.00 H -ATOM 343 HG SER A 20 -18.244 4.723 -5.232 1.00 0.00 H -ATOM 344 N THR A 21 -15.487 5.133 -2.556 1.00 0.00 N -ATOM 345 CA THR A 21 -15.198 6.051 -1.465 1.00 0.00 C -ATOM 346 C THR A 21 -13.928 5.625 -0.712 1.00 0.00 C -ATOM 347 O THR A 21 -13.054 6.449 -0.415 1.00 0.00 O -ATOM 348 CB THR A 21 -16.394 6.062 -0.490 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.612 6.240 -1.241 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.266 7.185 0.532 1.00 0.00 C -ATOM 351 H THR A 21 -16.353 4.681 -2.568 1.00 0.00 H -ATOM 352 HA THR A 21 -15.074 7.045 -1.868 1.00 0.00 H -ATOM 353 HB THR A 21 -16.431 5.112 0.022 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.876 7.161 -1.150 1.00 0.00 H -ATOM 355 HG21 THR A 21 -16.214 8.133 0.019 1.00 0.00 H -ATOM 356 HG22 THR A 21 -15.365 7.040 1.110 1.00 0.00 H -ATOM 357 HG23 THR A 21 -17.123 7.177 1.189 1.00 0.00 H -ATOM 358 N VAL A 22 -13.806 4.331 -0.482 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.692 3.791 0.265 1.00 0.00 C -ATOM 360 C VAL A 22 -11.412 3.942 -0.532 1.00 0.00 C -ATOM 361 O VAL A 22 -10.411 4.453 -0.027 1.00 0.00 O -ATOM 362 CB VAL A 22 -12.913 2.285 0.580 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -11.729 1.699 1.323 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.187 2.078 1.376 1.00 0.00 C -ATOM 365 H VAL A 22 -14.485 3.727 -0.852 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.596 4.331 1.196 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.012 1.761 -0.359 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -11.905 0.649 1.510 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -11.599 2.214 2.263 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -10.837 1.813 0.725 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.104 2.599 2.318 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -14.339 1.025 1.560 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -15.024 2.474 0.823 1.00 0.00 H -ATOM 374 N ARG A 23 -11.460 3.554 -1.784 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.295 3.632 -2.613 1.00 0.00 C -ATOM 376 C ARG A 23 -9.890 5.068 -2.925 1.00 0.00 C -ATOM 377 O ARG A 23 -8.706 5.359 -3.023 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.377 2.776 -3.863 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.546 3.055 -4.770 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.257 2.468 -6.128 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.362 2.616 -7.080 1.00 0.00 N -ATOM 382 CZ ARG A 23 -13.005 1.586 -7.669 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.790 0.328 -7.264 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.882 1.818 -8.641 1.00 0.00 N -ATOM 385 H ARG A 23 -12.311 3.216 -2.145 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.502 3.240 -1.991 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.475 2.916 -4.439 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.434 1.739 -3.562 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.387 2.529 -4.338 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.787 4.109 -4.807 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.391 2.998 -6.501 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -11.010 1.423 -6.011 1.00 0.00 H -ATOM 393 HE ARG A 23 -12.569 3.551 -7.319 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -12.154 0.087 -6.523 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -13.278 -0.442 -7.683 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -14.089 2.747 -8.969 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -14.380 1.087 -9.118 1.00 0.00 H -ATOM 398 N GLU A 24 -10.867 5.960 -3.087 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.568 7.362 -3.340 1.00 0.00 C -ATOM 400 C GLU A 24 -9.762 7.965 -2.215 1.00 0.00 C -ATOM 401 O GLU A 24 -8.751 8.631 -2.462 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.818 8.198 -3.591 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.508 7.905 -4.904 1.00 0.00 C -ATOM 404 CD GLU A 24 -13.527 8.952 -5.260 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -14.629 8.985 -4.656 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -13.246 9.774 -6.160 1.00 0.00 O -ATOM 407 H GLU A 24 -11.808 5.673 -3.045 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.952 7.387 -4.228 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.519 7.954 -2.804 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.568 9.248 -3.549 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -11.766 7.867 -5.688 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -13.003 6.948 -4.830 1.00 0.00 H -ATOM 413 N GLN A 25 -10.162 7.699 -0.983 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.448 8.233 0.145 1.00 0.00 C -ATOM 415 C GLN A 25 -8.088 7.566 0.319 1.00 0.00 C -ATOM 416 O GLN A 25 -7.113 8.217 0.712 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.282 8.239 1.426 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.191 9.469 1.603 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.181 9.701 0.475 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -11.884 10.393 -0.507 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.364 9.185 0.619 1.00 0.00 N -ATOM 422 H GLN A 25 -10.933 7.107 -0.814 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.235 9.257 -0.129 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.895 7.351 1.462 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.586 8.225 2.248 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.757 9.340 2.513 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -10.564 10.343 1.701 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.560 8.685 1.443 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -14.012 9.296 -0.106 1.00 0.00 H -ATOM 430 N LEU A 26 -8.015 6.276 0.006 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.740 5.559 0.025 1.00 0.00 C -ATOM 432 C LEU A 26 -5.783 6.150 -1.003 1.00 0.00 C -ATOM 433 O LEU A 26 -4.608 6.359 -0.711 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.923 4.068 -0.244 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.656 3.256 0.833 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.786 1.820 0.399 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.918 3.331 2.162 1.00 0.00 C -ATOM 438 H LEU A 26 -8.839 5.794 -0.225 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.305 5.693 1.004 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.467 3.984 -1.174 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.943 3.637 -0.388 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.657 3.636 0.972 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.331 1.266 1.149 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -6.802 1.391 0.284 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.315 1.770 -0.541 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -6.904 4.349 2.520 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -5.902 2.991 2.026 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -7.415 2.697 2.882 1.00 0.00 H -ATOM 449 N LYS A 27 -6.297 6.425 -2.205 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.513 7.048 -3.268 1.00 0.00 C -ATOM 451 C LYS A 27 -4.923 8.379 -2.790 1.00 0.00 C -ATOM 452 O LYS A 27 -3.754 8.697 -3.069 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.382 7.307 -4.495 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.601 7.896 -5.659 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.497 8.412 -6.775 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.206 9.694 -6.365 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.026 10.251 -7.457 1.00 0.00 N -ATOM 458 H LYS A 27 -7.230 6.164 -2.398 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.711 6.377 -3.540 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.816 6.369 -4.806 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.173 7.985 -4.214 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.038 8.726 -5.259 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -4.925 7.147 -6.046 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -5.903 8.600 -7.658 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.239 7.660 -6.993 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -7.846 9.489 -5.520 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.457 10.421 -6.079 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -8.510 11.116 -7.137 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -8.765 9.585 -7.761 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -7.430 10.504 -8.271 1.00 0.00 H -ATOM 471 N LYS A 28 -5.742 9.146 -2.087 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.325 10.419 -1.507 1.00 0.00 C -ATOM 473 C LYS A 28 -4.183 10.213 -0.526 1.00 0.00 C -ATOM 474 O LYS A 28 -3.189 10.934 -0.567 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.491 11.116 -0.821 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.603 11.497 -1.761 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.782 12.085 -1.020 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.879 12.425 -1.992 1.00 0.00 C -ATOM 479 NZ LYS A 28 -11.090 12.927 -1.334 1.00 0.00 N -ATOM 480 H LYS A 28 -6.667 8.836 -1.974 1.00 0.00 H -ATOM 481 HA LYS A 28 -4.978 11.039 -2.321 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.894 10.464 -0.060 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.121 12.018 -0.357 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.231 12.229 -2.462 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -7.925 10.617 -2.298 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.151 11.371 -0.298 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.467 12.986 -0.515 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -9.514 13.175 -2.677 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.128 11.530 -2.543 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -11.774 13.212 -2.063 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -10.901 13.749 -0.726 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -11.531 12.165 -0.775 1.00 0.00 H -ATOM 493 N LYS A 29 -4.319 9.209 0.332 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.264 8.857 1.274 1.00 0.00 C -ATOM 495 C LYS A 29 -1.988 8.480 0.571 1.00 0.00 C -ATOM 496 O LYS A 29 -0.906 8.847 1.004 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.695 7.764 2.250 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.127 8.302 3.604 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.330 9.209 3.515 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.565 9.913 4.836 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.458 10.851 5.164 1.00 0.00 N -ATOM 502 H LYS A 29 -5.158 8.699 0.334 1.00 0.00 H -ATOM 503 HA LYS A 29 -3.058 9.750 1.842 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.522 7.219 1.820 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.866 7.087 2.399 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.387 7.474 4.248 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.305 8.851 4.038 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -5.154 9.942 2.743 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.200 8.621 3.266 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.502 10.446 4.813 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.589 9.136 5.589 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -3.582 10.325 5.348 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -4.658 11.423 6.009 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.252 11.511 4.380 1.00 0.00 H -ATOM 515 N LEU A 30 -2.121 7.787 -0.524 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.985 7.388 -1.312 1.00 0.00 C -ATOM 517 C LEU A 30 -0.286 8.592 -1.922 1.00 0.00 C -ATOM 518 O LEU A 30 0.928 8.708 -1.848 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.403 6.417 -2.404 1.00 0.00 C -ATOM 520 CG LEU A 30 -2.010 5.110 -1.933 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.402 4.257 -3.119 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.043 4.370 -1.025 1.00 0.00 C -ATOM 523 H LEU A 30 -3.027 7.514 -0.791 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.290 6.886 -0.655 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.133 6.916 -3.023 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.537 6.192 -3.008 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.908 5.324 -1.368 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -3.111 4.795 -3.730 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -2.852 3.338 -2.776 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -1.524 4.033 -3.704 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -1.474 3.425 -0.737 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -0.871 4.963 -0.139 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.109 4.203 -1.540 1.00 0.00 H -ATOM 534 N VAL A 31 -1.052 9.502 -2.501 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.451 10.647 -3.156 1.00 0.00 C -ATOM 536 C VAL A 31 0.194 11.612 -2.141 1.00 0.00 C -ATOM 537 O VAL A 31 1.272 12.161 -2.400 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.416 11.380 -4.146 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -2.562 12.087 -3.442 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -0.649 12.328 -5.044 1.00 0.00 C -ATOM 541 H VAL A 31 -2.029 9.403 -2.458 1.00 0.00 H -ATOM 542 HA VAL A 31 0.370 10.231 -3.724 1.00 0.00 H -ATOM 543 HB VAL A 31 -1.863 10.625 -4.774 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -2.166 12.855 -2.794 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -3.096 11.364 -2.845 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -3.227 12.526 -4.170 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -0.140 13.056 -4.431 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -1.340 12.834 -5.701 1.00 0.00 H -ATOM 549 HG23 VAL A 31 0.072 11.778 -5.629 1.00 0.00 H -ATOM 550 N GLU A 32 -0.441 11.793 -0.977 1.00 0.00 N -ATOM 551 CA GLU A 32 0.132 12.647 0.046 1.00 0.00 C -ATOM 552 C GLU A 32 1.400 12.015 0.632 1.00 0.00 C -ATOM 553 O GLU A 32 2.427 12.696 0.804 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.870 12.997 1.171 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.431 11.798 1.900 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.175 12.139 3.158 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -1.540 12.180 4.229 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -3.409 12.345 3.116 1.00 0.00 O -ATOM 559 H GLU A 32 -1.308 11.354 -0.813 1.00 0.00 H -ATOM 560 HA GLU A 32 0.425 13.556 -0.460 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.376 13.626 1.897 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.693 13.543 0.735 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -2.113 11.308 1.223 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.619 11.125 2.136 1.00 0.00 H -ATOM 565 N VAL A 33 1.340 10.710 0.882 1.00 0.00 N -ATOM 566 CA VAL A 33 2.424 9.975 1.499 1.00 0.00 C -ATOM 567 C VAL A 33 3.680 9.992 0.627 1.00 0.00 C -ATOM 568 O VAL A 33 4.769 9.966 1.135 1.00 0.00 O -ATOM 569 CB VAL A 33 2.040 8.529 1.949 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.119 7.500 0.828 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.842 8.112 3.166 1.00 0.00 C -ATOM 572 H VAL A 33 0.520 10.212 0.664 1.00 0.00 H -ATOM 573 HA VAL A 33 2.676 10.551 2.379 1.00 0.00 H -ATOM 574 HB VAL A 33 1.001 8.571 2.245 1.00 0.00 H -ATOM 575 HG11 VAL A 33 3.134 7.441 0.465 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.472 7.807 0.019 1.00 0.00 H -ATOM 577 HG13 VAL A 33 1.807 6.534 1.196 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.630 7.084 3.418 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.572 8.745 3.999 1.00 0.00 H -ATOM 580 HG23 VAL A 33 3.892 8.231 2.955 1.00 0.00 H -ATOM 581 N LEU A 34 3.494 10.082 -0.696 1.00 0.00 N -ATOM 582 CA LEU A 34 4.594 10.070 -1.682 1.00 0.00 C -ATOM 583 C LEU A 34 5.683 11.106 -1.395 1.00 0.00 C -ATOM 584 O LEU A 34 6.818 10.928 -1.845 1.00 0.00 O -ATOM 585 CB LEU A 34 4.073 10.289 -3.115 1.00 0.00 C -ATOM 586 CG LEU A 34 3.236 9.168 -3.729 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.738 9.569 -5.109 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.050 7.890 -3.816 1.00 0.00 C -ATOM 589 H LEU A 34 2.572 10.128 -1.025 1.00 0.00 H -ATOM 590 HA LEU A 34 5.049 9.092 -1.641 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.476 11.189 -3.116 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.928 10.455 -3.753 1.00 0.00 H -ATOM 593 HG LEU A 34 2.376 8.981 -3.102 1.00 0.00 H -ATOM 594 HD11 LEU A 34 2.127 8.776 -5.514 1.00 0.00 H -ATOM 595 HD12 LEU A 34 3.584 9.733 -5.761 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.156 10.475 -5.038 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.966 8.081 -4.353 1.00 0.00 H -ATOM 598 HD22 LEU A 34 3.485 7.147 -4.360 1.00 0.00 H -ATOM 599 HD23 LEU A 34 4.274 7.521 -2.826 1.00 0.00 H -ATOM 600 N GLU A 35 5.347 12.194 -0.685 1.00 0.00 N -ATOM 601 CA GLU A 35 6.354 13.206 -0.353 1.00 0.00 C -ATOM 602 C GLU A 35 7.421 12.622 0.608 1.00 0.00 C -ATOM 603 O GLU A 35 8.585 13.013 0.576 1.00 0.00 O -ATOM 604 CB GLU A 35 5.723 14.458 0.278 1.00 0.00 C -ATOM 605 CG GLU A 35 5.110 14.233 1.653 1.00 0.00 C -ATOM 606 CD GLU A 35 4.654 15.507 2.309 1.00 0.00 C -ATOM 607 OE1 GLU A 35 5.495 16.300 2.737 1.00 0.00 O -ATOM 608 OE2 GLU A 35 3.435 15.724 2.451 1.00 0.00 O -ATOM 609 H GLU A 35 4.420 12.301 -0.375 1.00 0.00 H -ATOM 610 HA GLU A 35 6.846 13.481 -1.275 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.486 15.216 0.373 1.00 0.00 H -ATOM 612 HB3 GLU A 35 4.950 14.826 -0.382 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.259 13.576 1.550 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.848 13.762 2.285 1.00 0.00 H -ATOM 615 N SER A 36 7.007 11.677 1.429 1.00 0.00 N -ATOM 616 CA SER A 36 7.858 11.040 2.396 1.00 0.00 C -ATOM 617 C SER A 36 7.211 9.734 2.834 1.00 0.00 C -ATOM 618 O SER A 36 6.608 9.667 3.869 1.00 0.00 O -ATOM 619 CB SER A 36 8.115 11.981 3.599 1.00 0.00 C -ATOM 620 OG SER A 36 8.913 11.357 4.596 1.00 0.00 O -ATOM 621 H SER A 36 6.078 11.360 1.374 1.00 0.00 H -ATOM 622 HA SER A 36 8.797 10.782 1.937 1.00 0.00 H -ATOM 623 HB2 SER A 36 8.625 12.868 3.255 1.00 0.00 H -ATOM 624 HB3 SER A 36 7.168 12.259 4.036 1.00 0.00 H -ATOM 625 HG SER A 36 8.245 10.994 5.193 1.00 0.00 H -ATOM 626 N PRO A 37 7.265 8.691 1.993 1.00 0.00 N -ATOM 627 CA PRO A 37 6.606 7.430 2.287 1.00 0.00 C -ATOM 628 C PRO A 37 7.410 6.490 3.184 1.00 0.00 C -ATOM 629 O PRO A 37 6.877 5.502 3.677 1.00 0.00 O -ATOM 630 CB PRO A 37 6.380 6.837 0.908 1.00 0.00 C -ATOM 631 CG PRO A 37 7.523 7.339 0.100 1.00 0.00 C -ATOM 632 CD PRO A 37 7.882 8.687 0.657 1.00 0.00 C -ATOM 633 HA PRO A 37 5.651 7.595 2.759 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.367 5.760 0.966 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.440 7.192 0.510 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.361 6.666 0.196 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.234 7.428 -0.937 1.00 0.00 H -ATOM 638 HD2 PRO A 37 8.954 8.808 0.724 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.444 9.461 0.042 1.00 0.00 H -ATOM 640 N ARG A 38 8.671 6.814 3.435 1.00 0.00 N -ATOM 641 CA ARG A 38 9.524 5.980 4.293 1.00 0.00 C -ATOM 642 C ARG A 38 9.260 6.238 5.791 1.00 0.00 C -ATOM 643 O ARG A 38 10.161 6.205 6.610 1.00 0.00 O -ATOM 644 CB ARG A 38 11.033 6.117 3.896 1.00 0.00 C -ATOM 645 CG ARG A 38 11.609 7.546 3.755 1.00 0.00 C -ATOM 646 CD ARG A 38 11.828 8.274 5.088 1.00 0.00 C -ATOM 647 NE ARG A 38 12.821 7.608 5.967 1.00 0.00 N -ATOM 648 CZ ARG A 38 12.813 7.680 7.319 1.00 0.00 C -ATOM 649 NH1 ARG A 38 11.891 8.391 7.942 1.00 0.00 N -ATOM 650 NH2 ARG A 38 13.730 7.053 8.030 1.00 0.00 N -ATOM 651 H ARG A 38 9.021 7.637 3.037 1.00 0.00 H -ATOM 652 HA ARG A 38 9.210 4.964 4.103 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.621 5.609 4.645 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.172 5.603 2.955 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.550 7.489 3.231 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.921 8.122 3.152 1.00 0.00 H -ATOM 657 HD2 ARG A 38 12.165 9.281 4.887 1.00 0.00 H -ATOM 658 HD3 ARG A 38 10.881 8.314 5.603 1.00 0.00 H -ATOM 659 HE ARG A 38 13.520 7.090 5.508 1.00 0.00 H -ATOM 660 HH11 ARG A 38 11.177 8.885 7.443 1.00 0.00 H -ATOM 661 HH12 ARG A 38 11.875 8.500 8.942 1.00 0.00 H -ATOM 662 HH21 ARG A 38 14.473 6.527 7.608 1.00 0.00 H -ATOM 663 HH22 ARG A 38 13.683 7.047 9.038 1.00 0.00 H -ATOM 664 N ILE A 39 7.998 6.338 6.141 1.00 0.00 N -ATOM 665 CA ILE A 39 7.589 6.695 7.483 1.00 0.00 C -ATOM 666 C ILE A 39 7.643 5.485 8.383 1.00 0.00 C -ATOM 667 O ILE A 39 6.767 4.628 8.366 1.00 0.00 O -ATOM 668 CB ILE A 39 6.168 7.311 7.492 1.00 0.00 C -ATOM 669 CG1 ILE A 39 6.169 8.558 6.623 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.727 7.651 8.918 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.814 9.181 6.401 1.00 0.00 C -ATOM 672 H ILE A 39 7.317 6.140 5.461 1.00 0.00 H -ATOM 673 HA ILE A 39 8.288 7.430 7.848 1.00 0.00 H -ATOM 674 HB ILE A 39 5.474 6.597 7.075 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.791 9.306 7.090 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.586 8.311 5.658 1.00 0.00 H -ATOM 677 HG21 ILE A 39 6.419 8.366 9.337 1.00 0.00 H -ATOM 678 HG22 ILE A 39 5.727 6.753 9.518 1.00 0.00 H -ATOM 679 HG23 ILE A 39 4.734 8.074 8.900 1.00 0.00 H -ATOM 680 HD11 ILE A 39 4.397 9.484 7.348 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.168 8.465 5.914 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.945 10.042 5.759 1.00 0.00 H -ATOM 683 N GLU A 40 8.699 5.442 9.151 1.00 0.00 N -ATOM 684 CA GLU A 40 9.024 4.348 10.042 1.00 0.00 C -ATOM 685 C GLU A 40 7.960 4.089 11.107 1.00 0.00 C -ATOM 686 O GLU A 40 7.809 2.965 11.569 1.00 0.00 O -ATOM 687 CB GLU A 40 10.426 4.546 10.619 1.00 0.00 C -ATOM 688 CG GLU A 40 10.681 5.926 11.200 1.00 0.00 C -ATOM 689 CD GLU A 40 12.134 6.151 11.494 1.00 0.00 C -ATOM 690 OE1 GLU A 40 12.898 6.455 10.551 1.00 0.00 O -ATOM 691 OE2 GLU A 40 12.544 6.034 12.656 1.00 0.00 O -ATOM 692 H GLU A 40 9.308 6.209 9.104 1.00 0.00 H -ATOM 693 HA GLU A 40 9.051 3.467 9.419 1.00 0.00 H -ATOM 694 HB2 GLU A 40 10.582 3.820 11.403 1.00 0.00 H -ATOM 695 HB3 GLU A 40 11.145 4.370 9.834 1.00 0.00 H -ATOM 696 HG2 GLU A 40 10.354 6.677 10.497 1.00 0.00 H -ATOM 697 HG3 GLU A 40 10.121 6.027 12.118 1.00 0.00 H -ATOM 698 N ALA A 41 7.183 5.109 11.447 1.00 0.00 N -ATOM 699 CA ALA A 41 6.071 4.951 12.384 1.00 0.00 C -ATOM 700 C ALA A 41 4.950 4.102 11.763 1.00 0.00 C -ATOM 701 O ALA A 41 4.059 3.612 12.466 1.00 0.00 O -ATOM 702 CB ALA A 41 5.528 6.308 12.807 1.00 0.00 C -ATOM 703 H ALA A 41 7.381 6.001 11.088 1.00 0.00 H -ATOM 704 HA ALA A 41 6.448 4.441 13.257 1.00 0.00 H -ATOM 705 HB1 ALA A 41 4.734 6.171 13.525 1.00 0.00 H -ATOM 706 HB2 ALA A 41 5.144 6.828 11.942 1.00 0.00 H -ATOM 707 HB3 ALA A 41 6.320 6.890 13.255 1.00 0.00 H -ATOM 708 N ASN A 42 5.008 3.931 10.451 1.00 0.00 N -ATOM 709 CA ASN A 42 4.018 3.158 9.714 1.00 0.00 C -ATOM 710 C ASN A 42 4.650 1.913 9.129 1.00 0.00 C -ATOM 711 O ASN A 42 4.034 1.231 8.324 1.00 0.00 O -ATOM 712 CB ASN A 42 3.411 3.978 8.547 1.00 0.00 C -ATOM 713 CG ASN A 42 2.625 5.202 8.972 1.00 0.00 C -ATOM 714 OD1 ASN A 42 2.051 5.250 10.058 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.556 6.185 8.108 1.00 0.00 N -ATOM 716 H ASN A 42 5.750 4.326 9.942 1.00 0.00 H -ATOM 717 HA ASN A 42 3.223 2.867 10.384 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.213 4.310 7.906 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.758 3.331 7.977 1.00 0.00 H -ATOM 720 HD21 ASN A 42 3.008 6.088 7.242 1.00 0.00 H -ATOM 721 HD22 ASN A 42 2.039 6.983 8.348 1.00 0.00 H -ATOM 722 N LYS A 43 5.863 1.604 9.541 1.00 0.00 N -ATOM 723 CA LYS A 43 6.593 0.509 9.004 1.00 0.00 C -ATOM 724 C LYS A 43 6.161 -0.823 9.621 1.00 0.00 C -ATOM 725 O LYS A 43 5.807 -0.891 10.799 1.00 0.00 O -ATOM 726 CB LYS A 43 8.076 0.765 9.236 1.00 0.00 C -ATOM 727 CG LYS A 43 8.936 -0.381 8.877 1.00 0.00 C -ATOM 728 CD LYS A 43 10.400 -0.107 9.126 1.00 0.00 C -ATOM 729 CE LYS A 43 11.233 -1.347 8.850 1.00 0.00 C -ATOM 730 NZ LYS A 43 10.865 -2.474 9.744 1.00 0.00 N -ATOM 731 H LYS A 43 6.334 2.086 10.251 1.00 0.00 H -ATOM 732 HA LYS A 43 6.426 0.481 7.937 1.00 0.00 H -ATOM 733 HB2 LYS A 43 8.374 1.605 8.629 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.230 1.001 10.278 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.583 -1.171 9.520 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.744 -0.614 7.842 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.726 0.690 8.474 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.536 0.188 10.155 1.00 0.00 H -ATOM 739 HE2 LYS A 43 11.064 -1.649 7.827 1.00 0.00 H -ATOM 740 HE3 LYS A 43 12.277 -1.111 8.987 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 9.880 -2.783 9.598 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 10.953 -2.211 10.746 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 11.480 -3.293 9.570 1.00 0.00 H -ATOM 744 N LEU A 44 6.174 -1.854 8.809 1.00 0.00 N -ATOM 745 CA LEU A 44 5.882 -3.199 9.248 1.00 0.00 C -ATOM 746 C LEU A 44 7.152 -3.851 9.761 1.00 0.00 C -ATOM 747 O LEU A 44 8.262 -3.528 9.299 1.00 0.00 O -ATOM 748 CB LEU A 44 5.313 -4.050 8.107 1.00 0.00 C -ATOM 749 CG LEU A 44 3.943 -3.667 7.556 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.556 -4.602 6.435 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.901 -3.738 8.638 1.00 0.00 C -ATOM 752 H LEU A 44 6.409 -1.693 7.867 1.00 0.00 H -ATOM 753 HA LEU A 44 5.159 -3.142 10.046 1.00 0.00 H -ATOM 754 HB2 LEU A 44 6.014 -3.992 7.289 1.00 0.00 H -ATOM 755 HB3 LEU A 44 5.269 -5.075 8.444 1.00 0.00 H -ATOM 756 HG LEU A 44 3.973 -2.657 7.174 1.00 0.00 H -ATOM 757 HD11 LEU A 44 2.589 -4.317 6.047 1.00 0.00 H -ATOM 758 HD12 LEU A 44 3.503 -5.612 6.814 1.00 0.00 H -ATOM 759 HD13 LEU A 44 4.290 -4.552 5.645 1.00 0.00 H -ATOM 760 HD21 LEU A 44 3.154 -3.040 9.422 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.876 -4.743 9.032 1.00 0.00 H -ATOM 762 HD23 LEU A 44 1.943 -3.482 8.213 1.00 0.00 H -ATOM 763 N ARG A 45 7.001 -4.753 10.686 1.00 0.00 N -ATOM 764 CA ARG A 45 8.106 -5.446 11.264 1.00 0.00 C -ATOM 765 C ARG A 45 8.329 -6.779 10.551 1.00 0.00 C -ATOM 766 O ARG A 45 7.388 -7.544 10.344 1.00 0.00 O -ATOM 767 CB ARG A 45 7.850 -5.641 12.758 1.00 0.00 C -ATOM 768 CG ARG A 45 6.641 -6.503 13.101 1.00 0.00 C -ATOM 769 CD ARG A 45 6.315 -6.428 14.575 1.00 0.00 C -ATOM 770 NE ARG A 45 5.890 -5.075 14.964 1.00 0.00 N -ATOM 771 CZ ARG A 45 5.687 -4.659 16.213 1.00 0.00 C -ATOM 772 NH1 ARG A 45 5.895 -5.481 17.238 1.00 0.00 N -ATOM 773 NH2 ARG A 45 5.277 -3.414 16.435 1.00 0.00 N -ATOM 774 H ARG A 45 6.104 -4.973 11.016 1.00 0.00 H -ATOM 775 HA ARG A 45 8.984 -4.831 11.140 1.00 0.00 H -ATOM 776 HB2 ARG A 45 8.719 -6.111 13.184 1.00 0.00 H -ATOM 777 HB3 ARG A 45 7.714 -4.670 13.213 1.00 0.00 H -ATOM 778 HG2 ARG A 45 5.790 -6.164 12.532 1.00 0.00 H -ATOM 779 HG3 ARG A 45 6.862 -7.525 12.836 1.00 0.00 H -ATOM 780 HD2 ARG A 45 5.523 -7.128 14.795 1.00 0.00 H -ATOM 781 HD3 ARG A 45 7.195 -6.692 15.143 1.00 0.00 H -ATOM 782 HE ARG A 45 5.735 -4.447 14.221 1.00 0.00 H -ATOM 783 HH11 ARG A 45 6.204 -6.429 17.112 1.00 0.00 H -ATOM 784 HH12 ARG A 45 5.754 -5.181 18.183 1.00 0.00 H -ATOM 785 HH21 ARG A 45 5.114 -2.781 15.669 1.00 0.00 H -ATOM 786 HH22 ARG A 45 5.107 -3.063 17.361 1.00 0.00 H -ATOM 787 N GLY A 46 9.547 -7.013 10.113 1.00 0.00 N -ATOM 788 CA GLY A 46 9.886 -8.273 9.456 1.00 0.00 C -ATOM 789 C GLY A 46 9.426 -8.313 8.017 1.00 0.00 C -ATOM 790 O GLY A 46 9.414 -9.368 7.376 1.00 0.00 O -ATOM 791 H GLY A 46 10.236 -6.321 10.224 1.00 0.00 H -ATOM 792 HA2 GLY A 46 10.959 -8.399 9.481 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.422 -9.085 9.996 1.00 0.00 H -ATOM 794 N MET A 47 9.048 -7.171 7.515 1.00 0.00 N -ATOM 795 CA MET A 47 8.576 -7.038 6.164 1.00 0.00 C -ATOM 796 C MET A 47 9.461 -6.044 5.463 1.00 0.00 C -ATOM 797 O MET A 47 9.559 -4.888 5.905 1.00 0.00 O -ATOM 798 CB MET A 47 7.131 -6.561 6.145 1.00 0.00 C -ATOM 799 CG MET A 47 6.150 -7.517 6.821 1.00 0.00 C -ATOM 800 SD MET A 47 5.965 -9.094 5.952 1.00 0.00 S -ATOM 801 CE MET A 47 5.107 -8.557 4.469 1.00 0.00 C -ATOM 802 H MET A 47 9.121 -6.375 8.083 1.00 0.00 H -ATOM 803 HA MET A 47 8.649 -8.006 5.689 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.107 -5.605 6.644 1.00 0.00 H -ATOM 805 HB3 MET A 47 6.829 -6.421 5.118 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.499 -7.717 7.823 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.187 -7.032 6.862 1.00 0.00 H -ATOM 808 HE1 MET A 47 4.907 -9.414 3.842 1.00 0.00 H -ATOM 809 HE2 MET A 47 5.717 -7.850 3.928 1.00 0.00 H -ATOM 810 HE3 MET A 47 4.171 -8.093 4.745 1.00 0.00 H -ATOM 811 N PRO A 48 10.129 -6.466 4.385 1.00 0.00 N -ATOM 812 CA PRO A 48 11.106 -5.638 3.671 1.00 0.00 C -ATOM 813 C PRO A 48 10.512 -4.345 3.096 1.00 0.00 C -ATOM 814 O PRO A 48 9.775 -4.371 2.092 1.00 0.00 O -ATOM 815 CB PRO A 48 11.623 -6.553 2.549 1.00 0.00 C -ATOM 816 CG PRO A 48 10.582 -7.610 2.401 1.00 0.00 C -ATOM 817 CD PRO A 48 9.977 -7.792 3.760 1.00 0.00 C -ATOM 818 HA PRO A 48 11.924 -5.377 4.324 1.00 0.00 H -ATOM 819 HB2 PRO A 48 11.735 -5.978 1.642 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.575 -6.976 2.832 1.00 0.00 H -ATOM 821 HG2 PRO A 48 9.829 -7.288 1.698 1.00 0.00 H -ATOM 822 HG3 PRO A 48 11.036 -8.533 2.066 1.00 0.00 H -ATOM 823 HD2 PRO A 48 8.932 -8.054 3.674 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.515 -8.543 4.320 1.00 0.00 H -ATOM 825 N ASP A 49 10.754 -3.243 3.818 1.00 0.00 N -ATOM 826 CA ASP A 49 10.381 -1.877 3.402 1.00 0.00 C -ATOM 827 C ASP A 49 8.889 -1.725 3.254 1.00 0.00 C -ATOM 828 O ASP A 49 8.424 -0.904 2.471 1.00 0.00 O -ATOM 829 CB ASP A 49 11.079 -1.462 2.081 1.00 0.00 C -ATOM 830 CG ASP A 49 12.563 -1.231 2.220 1.00 0.00 C -ATOM 831 OD1 ASP A 49 13.339 -2.212 2.192 1.00 0.00 O -ATOM 832 OD2 ASP A 49 12.997 -0.059 2.362 1.00 0.00 O -ATOM 833 H ASP A 49 11.179 -3.371 4.694 1.00 0.00 H -ATOM 834 HA ASP A 49 10.709 -1.206 4.181 1.00 0.00 H -ATOM 835 HB2 ASP A 49 10.934 -2.244 1.349 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.621 -0.556 1.713 1.00 0.00 H -ATOM 837 N CYS A 50 8.128 -2.451 4.041 1.00 0.00 N -ATOM 838 CA CYS A 50 6.708 -2.379 3.916 1.00 0.00 C -ATOM 839 C CYS A 50 6.143 -1.468 4.992 1.00 0.00 C -ATOM 840 O CYS A 50 6.624 -1.456 6.134 1.00 0.00 O -ATOM 841 CB CYS A 50 6.111 -3.773 4.002 1.00 0.00 C -ATOM 842 SG CYS A 50 6.812 -4.948 2.812 1.00 0.00 S -ATOM 843 H CYS A 50 8.517 -3.028 4.733 1.00 0.00 H -ATOM 844 HA CYS A 50 6.476 -1.958 2.951 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.286 -4.167 4.992 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.048 -3.713 3.819 1.00 0.00 H -ATOM 847 HG CYS A 50 8.035 -4.521 2.511 1.00 0.00 H -ATOM 848 N TYR A 51 5.149 -0.710 4.619 1.00 0.00 N -ATOM 849 CA TYR A 51 4.515 0.265 5.462 1.00 0.00 C -ATOM 850 C TYR A 51 3.014 0.133 5.258 1.00 0.00 C -ATOM 851 O TYR A 51 2.580 -0.378 4.210 1.00 0.00 O -ATOM 852 CB TYR A 51 4.970 1.694 5.064 1.00 0.00 C -ATOM 853 CG TYR A 51 6.480 1.936 5.111 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.300 1.565 4.056 1.00 0.00 C -ATOM 855 CD2 TYR A 51 7.074 2.531 6.202 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.666 1.777 4.096 1.00 0.00 C -ATOM 857 CE2 TYR A 51 8.440 2.748 6.248 1.00 0.00 C -ATOM 858 CZ TYR A 51 9.228 2.367 5.192 1.00 0.00 C -ATOM 859 OH TYR A 51 10.594 2.586 5.236 1.00 0.00 O -ATOM 860 H TYR A 51 4.797 -0.796 3.703 1.00 0.00 H -ATOM 861 HA TYR A 51 4.773 0.072 6.493 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.643 1.890 4.055 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.495 2.405 5.725 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.856 1.094 3.192 1.00 0.00 H -ATOM 865 HD2 TYR A 51 6.455 2.832 7.036 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.285 1.478 3.262 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.884 3.215 7.115 1.00 0.00 H -ATOM 868 HH TYR A 51 10.913 2.728 4.334 1.00 0.00 H -ATOM 869 N LYS A 52 2.226 0.559 6.223 1.00 0.00 N -ATOM 870 CA LYS A 52 0.785 0.440 6.106 1.00 0.00 C -ATOM 871 C LYS A 52 0.059 1.724 6.494 1.00 0.00 C -ATOM 872 O LYS A 52 0.443 2.426 7.449 1.00 0.00 O -ATOM 873 CB LYS A 52 0.215 -0.782 6.908 1.00 0.00 C -ATOM 874 CG LYS A 52 0.198 -0.696 8.464 1.00 0.00 C -ATOM 875 CD LYS A 52 1.584 -0.531 9.073 1.00 0.00 C -ATOM 876 CE LYS A 52 1.592 -0.732 10.590 1.00 0.00 C -ATOM 877 NZ LYS A 52 0.703 0.203 11.315 1.00 0.00 N -ATOM 878 H LYS A 52 2.622 0.970 7.022 1.00 0.00 H -ATOM 879 HA LYS A 52 0.584 0.267 5.058 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.805 -0.944 6.592 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.790 -1.651 6.629 1.00 0.00 H -ATOM 882 HG2 LYS A 52 -0.403 0.152 8.758 1.00 0.00 H -ATOM 883 HG3 LYS A 52 -0.255 -1.597 8.854 1.00 0.00 H -ATOM 884 HD2 LYS A 52 2.250 -1.249 8.622 1.00 0.00 H -ATOM 885 HD3 LYS A 52 1.941 0.464 8.850 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.278 -1.741 10.808 1.00 0.00 H -ATOM 887 HE3 LYS A 52 2.605 -0.598 10.942 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 0.933 1.189 11.091 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 0.853 0.088 12.340 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 -0.305 0.035 11.133 1.00 0.00 H -ATOM 891 N ILE A 53 -0.970 2.032 5.746 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.836 3.150 6.036 1.00 0.00 C -ATOM 893 C ILE A 53 -3.213 2.596 6.331 1.00 0.00 C -ATOM 894 O ILE A 53 -3.629 1.602 5.716 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.921 4.187 4.859 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.528 4.744 4.527 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -2.882 5.340 5.207 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.521 5.766 3.401 1.00 0.00 C -ATOM 899 H ILE A 53 -1.171 1.471 4.962 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.459 3.634 6.923 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.311 3.677 3.992 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.121 5.222 5.407 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.119 3.927 4.240 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -2.924 6.041 4.386 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.538 5.859 6.090 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.873 4.956 5.393 1.00 0.00 H -ATOM 907 HD11 ILE A 53 -0.938 5.324 2.508 1.00 0.00 H -ATOM 908 HD12 ILE A 53 0.495 6.078 3.207 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -1.112 6.623 3.688 1.00 0.00 H -ATOM 910 N LYS A 54 -3.889 3.175 7.290 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.186 2.762 7.629 1.00 0.00 C -ATOM 912 C LYS A 54 -6.117 3.882 7.271 1.00 0.00 C -ATOM 913 O LYS A 54 -5.772 5.055 7.417 1.00 0.00 O -ATOM 914 CB LYS A 54 -5.340 2.503 9.125 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.246 1.674 9.827 1.00 0.00 C -ATOM 916 CD LYS A 54 -2.982 2.489 10.120 1.00 0.00 C -ATOM 917 CE LYS A 54 -3.274 3.656 11.068 1.00 0.00 C -ATOM 918 NZ LYS A 54 -2.077 4.469 11.347 1.00 0.00 N -ATOM 919 H LYS A 54 -3.546 3.936 7.794 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.438 1.866 7.081 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.485 3.451 9.616 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -6.268 1.972 9.204 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.635 1.306 10.764 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -3.988 0.838 9.195 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -2.240 1.842 10.563 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -2.614 2.880 9.184 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -4.017 4.303 10.624 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -3.656 3.261 11.997 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -2.311 5.263 11.975 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -1.690 4.883 10.475 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -1.331 3.903 11.797 1.00 0.00 H -ATOM 932 N LEU A 55 -7.267 3.541 6.829 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.251 4.516 6.474 1.00 0.00 C -ATOM 934 C LEU A 55 -9.198 4.637 7.647 1.00 0.00 C -ATOM 935 O LEU A 55 -9.855 3.657 8.012 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.009 4.069 5.216 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.820 5.143 4.488 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -8.912 6.229 3.987 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -10.581 4.529 3.334 1.00 0.00 C -ATOM 940 H LEU A 55 -7.444 2.578 6.755 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.757 5.458 6.297 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.287 3.670 4.521 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.684 3.273 5.497 1.00 0.00 H -ATOM 944 HG LEU A 55 -10.534 5.637 5.127 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -8.299 6.612 4.791 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -9.546 7.027 3.640 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -8.295 5.861 3.182 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -9.888 4.062 2.652 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -11.128 5.303 2.815 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -11.268 3.789 3.714 1.00 0.00 H -ATOM 951 N ARG A 56 -9.277 5.808 8.233 1.00 0.00 N -ATOM 952 CA ARG A 56 -10.095 6.022 9.427 1.00 0.00 C -ATOM 953 C ARG A 56 -11.562 5.967 9.075 1.00 0.00 C -ATOM 954 O ARG A 56 -12.388 5.467 9.848 1.00 0.00 O -ATOM 955 CB ARG A 56 -9.780 7.377 10.072 1.00 0.00 C -ATOM 956 CG ARG A 56 -8.332 7.570 10.486 1.00 0.00 C -ATOM 957 CD ARG A 56 -7.860 6.515 11.486 1.00 0.00 C -ATOM 958 NE ARG A 56 -8.659 6.484 12.735 1.00 0.00 N -ATOM 959 CZ ARG A 56 -8.147 6.655 13.965 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -6.931 7.172 14.119 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -8.871 6.375 15.043 1.00 0.00 N -ATOM 962 H ARG A 56 -8.797 6.570 7.837 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.880 5.239 10.137 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -10.032 8.159 9.373 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -10.399 7.490 10.950 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -7.714 7.505 9.603 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -8.221 8.550 10.927 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -7.918 5.547 11.013 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -6.829 6.713 11.734 1.00 0.00 H -ATOM 970 HE ARG A 56 -9.604 6.229 12.618 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -6.364 7.454 13.340 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -6.539 7.303 15.034 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -9.815 6.036 15.000 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -8.469 6.477 15.957 1.00 0.00 H -ATOM 975 N SER A 57 -11.858 6.446 7.894 1.00 0.00 N -ATOM 976 CA SER A 57 -13.198 6.540 7.380 1.00 0.00 C -ATOM 977 C SER A 57 -13.869 5.167 7.246 1.00 0.00 C -ATOM 978 O SER A 57 -15.040 5.007 7.602 1.00 0.00 O -ATOM 979 CB SER A 57 -13.143 7.235 6.024 1.00 0.00 C -ATOM 980 OG SER A 57 -12.358 8.421 6.114 1.00 0.00 O -ATOM 981 H SER A 57 -11.132 6.796 7.336 1.00 0.00 H -ATOM 982 HA SER A 57 -13.780 7.159 8.045 1.00 0.00 H -ATOM 983 HB2 SER A 57 -12.694 6.572 5.299 1.00 0.00 H -ATOM 984 HB3 SER A 57 -14.141 7.501 5.710 1.00 0.00 H -ATOM 985 HG SER A 57 -12.966 9.162 6.001 1.00 0.00 H -ATOM 986 N SER A 58 -13.121 4.166 6.814 1.00 0.00 N -ATOM 987 CA SER A 58 -13.740 2.888 6.521 1.00 0.00 C -ATOM 988 C SER A 58 -13.111 1.693 7.273 1.00 0.00 C -ATOM 989 O SER A 58 -13.680 0.603 7.278 1.00 0.00 O -ATOM 990 CB SER A 58 -13.702 2.669 5.018 1.00 0.00 C -ATOM 991 OG SER A 58 -14.212 3.808 4.339 1.00 0.00 O -ATOM 992 H SER A 58 -12.163 4.307 6.680 1.00 0.00 H -ATOM 993 HA SER A 58 -14.777 2.964 6.809 1.00 0.00 H -ATOM 994 HB2 SER A 58 -12.682 2.504 4.707 1.00 0.00 H -ATOM 995 HB3 SER A 58 -14.305 1.810 4.760 1.00 0.00 H -ATOM 996 HG SER A 58 -15.164 3.850 4.478 1.00 0.00 H -ATOM 997 N GLY A 59 -11.954 1.882 7.890 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.327 0.787 8.628 1.00 0.00 C -ATOM 999 C GLY A 59 -10.506 -0.126 7.729 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.226 -1.272 8.068 1.00 0.00 O -ATOM 1001 H GLY A 59 -11.501 2.751 7.885 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.683 1.202 9.390 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -12.099 0.204 9.107 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.110 0.377 6.592 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.332 -0.408 5.658 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.851 -0.185 5.867 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.445 0.829 6.434 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.741 -0.121 4.203 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.062 -0.759 3.784 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.264 -0.389 4.369 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.096 -1.727 2.790 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.458 -0.964 3.985 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.287 -2.307 2.398 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.465 -1.921 3.000 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.652 -2.508 2.622 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.316 1.310 6.381 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.543 -1.445 5.875 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -9.835 0.947 4.069 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -8.967 -0.491 3.546 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.259 0.363 5.145 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.173 -2.030 2.317 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.381 -0.659 4.456 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.292 -3.060 1.623 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.330 -1.842 2.454 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.068 -1.144 5.446 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.628 -1.102 5.541 1.00 0.00 C -ATOM 1027 C ARG A 61 -5.039 -1.240 4.154 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.576 -1.970 3.311 1.00 0.00 O -ATOM 1029 CB ARG A 61 -5.055 -2.246 6.408 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.179 -2.126 7.931 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.601 -2.223 8.461 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.582 -2.370 9.926 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -7.643 -2.332 10.750 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -8.862 -2.070 10.293 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.465 -2.539 12.049 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.463 -1.921 4.993 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.334 -0.154 5.965 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.558 -3.159 6.124 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -4.008 -2.355 6.163 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.602 -2.919 8.384 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -4.755 -1.178 8.229 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -7.138 -1.323 8.197 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -7.088 -3.083 8.027 1.00 0.00 H -ATOM 1044 HE ARG A 61 -5.684 -2.538 10.291 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -9.079 -1.892 9.327 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -9.656 -2.031 10.907 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -6.565 -2.726 12.449 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -8.239 -2.513 12.686 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.974 -0.555 3.915 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.275 -0.654 2.672 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.799 -0.848 2.990 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.227 -0.087 3.774 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.553 0.608 1.818 1.00 0.00 C -ATOM 1054 CG LEU A 62 -3.054 0.614 0.357 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.742 1.710 -0.420 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.561 0.835 0.286 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.631 0.069 4.595 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.639 -1.531 2.156 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.622 0.762 1.797 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.106 1.448 2.327 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.286 -0.333 -0.110 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -4.808 1.539 -0.413 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.382 1.692 -1.438 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.526 2.666 0.033 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.246 0.894 -0.745 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.055 0.012 0.769 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.326 1.755 0.798 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.205 -1.873 2.411 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.181 -2.219 2.663 1.00 0.00 C -ATOM 1070 C VAL A 63 1.001 -2.052 1.388 1.00 0.00 C -ATOM 1071 O VAL A 63 0.671 -2.627 0.331 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.316 -3.685 3.178 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.774 -4.053 3.415 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.490 -3.887 4.455 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.696 -2.416 1.753 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.565 -1.549 3.420 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.078 -4.345 2.419 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 1.837 -5.068 3.777 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.194 -3.385 4.152 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 2.323 -3.963 2.489 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -1.531 -3.677 4.258 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.126 -3.213 5.216 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -0.386 -4.906 4.796 1.00 0.00 H -ATOM 1084 N TYR A 64 2.049 -1.289 1.478 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.909 -1.030 0.352 1.00 0.00 C -ATOM 1086 C TYR A 64 4.354 -1.103 0.772 1.00 0.00 C -ATOM 1087 O TYR A 64 4.657 -1.000 1.947 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.595 0.347 -0.287 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.674 1.553 0.647 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 3.875 1.972 1.210 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.546 2.280 0.933 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 3.930 3.067 2.032 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.591 3.376 1.752 1.00 0.00 C -ATOM 1094 CZ TYR A 64 2.789 3.766 2.303 1.00 0.00 C -ATOM 1095 OH TYR A 64 2.845 4.857 3.130 1.00 0.00 O -ATOM 1096 H TYR A 64 2.281 -0.887 2.349 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.722 -1.799 -0.381 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.269 0.530 -1.109 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.589 0.307 -0.676 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.774 1.413 0.997 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.608 1.972 0.498 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 4.872 3.377 2.458 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.680 3.920 1.949 1.00 0.00 H -ATOM 1104 HH TYR A 64 3.618 5.381 2.907 1.00 0.00 H -ATOM 1105 N GLN A 65 5.226 -1.313 -0.162 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.629 -1.269 0.113 1.00 0.00 C -ATOM 1107 C GLN A 65 7.233 -0.067 -0.568 1.00 0.00 C -ATOM 1108 O GLN A 65 6.931 0.218 -1.731 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.356 -2.564 -0.282 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.216 -2.972 -1.743 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.022 -4.213 -2.090 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 8.475 -4.375 -3.227 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 8.222 -5.088 -1.130 1.00 0.00 N -ATOM 1114 H GLN A 65 4.922 -1.484 -1.082 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.735 -1.113 1.175 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.410 -2.439 -0.074 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.981 -3.365 0.336 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.176 -3.164 -1.956 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.564 -2.154 -2.357 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 7.844 -4.907 -0.243 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 8.765 -5.885 -1.321 1.00 0.00 H -ATOM 1122 N VAL A 66 8.035 0.655 0.146 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.666 1.814 -0.413 1.00 0.00 C -ATOM 1124 C VAL A 66 10.045 1.438 -0.841 1.00 0.00 C -ATOM 1125 O VAL A 66 10.910 1.168 -0.011 1.00 0.00 O -ATOM 1126 CB VAL A 66 8.742 2.979 0.603 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.455 4.189 0.009 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.358 3.365 1.061 1.00 0.00 C -ATOM 1129 H VAL A 66 8.240 0.370 1.064 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.098 2.133 -1.275 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.303 2.646 1.463 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 10.452 3.904 -0.293 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 9.518 4.969 0.753 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 8.907 4.548 -0.850 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.430 4.155 1.792 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 6.876 2.506 1.502 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 6.776 3.706 0.219 1.00 0.00 H -ATOM 1138 N ILE A 67 10.255 1.415 -2.113 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.523 1.080 -2.634 1.00 0.00 C -ATOM 1140 C ILE A 67 12.218 2.366 -2.986 1.00 0.00 C -ATOM 1141 O ILE A 67 11.987 2.925 -4.057 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.405 0.206 -3.900 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.420 -0.945 -3.662 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.777 -0.347 -4.266 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 10.152 -1.783 -4.886 1.00 0.00 C -ATOM 1146 H ILE A 67 9.536 1.648 -2.743 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.085 0.548 -1.882 1.00 0.00 H -ATOM 1148 HB ILE A 67 11.048 0.818 -4.715 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.810 -1.596 -2.893 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.481 -0.534 -3.324 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 12.700 -0.945 -5.162 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 13.141 -0.966 -3.461 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.465 0.469 -4.433 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 9.746 -1.160 -5.669 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.437 -2.554 -4.634 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 11.071 -2.237 -5.225 1.00 0.00 H -ATOM 1157 N ASP A 68 13.034 2.851 -2.088 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.742 4.115 -2.290 1.00 0.00 C -ATOM 1159 C ASP A 68 14.814 3.953 -3.355 1.00 0.00 C -ATOM 1160 O ASP A 68 15.163 4.897 -4.046 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.325 4.630 -0.970 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.066 5.946 -1.111 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 14.420 7.001 -1.219 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 16.317 5.948 -1.063 1.00 0.00 O -ATOM 1165 H ASP A 68 13.168 2.355 -1.248 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.020 4.827 -2.662 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 13.516 4.777 -0.268 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.004 3.890 -0.574 1.00 0.00 H -ATOM 1169 N GLU A 69 15.273 2.717 -3.517 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.251 2.354 -4.546 1.00 0.00 C -ATOM 1171 C GLU A 69 15.690 2.625 -5.942 1.00 0.00 C -ATOM 1172 O GLU A 69 16.412 3.011 -6.854 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.584 0.868 -4.461 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.186 0.408 -3.154 1.00 0.00 C -ATOM 1175 CD GLU A 69 17.468 -1.069 -3.181 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 18.527 -1.472 -3.669 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 16.610 -1.864 -2.730 1.00 0.00 O -ATOM 1178 H GLU A 69 14.961 2.029 -2.893 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.155 2.926 -4.393 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.675 0.307 -4.614 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.273 0.624 -5.255 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 18.112 0.937 -2.988 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 16.494 0.617 -2.351 1.00 0.00 H -ATOM 1184 N LYS A 70 14.397 2.392 -6.097 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.731 2.556 -7.384 1.00 0.00 C -ATOM 1186 C LYS A 70 12.836 3.795 -7.379 1.00 0.00 C -ATOM 1187 O LYS A 70 12.194 4.125 -8.392 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.905 1.311 -7.700 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.714 0.029 -7.773 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.819 -1.171 -8.021 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.617 -2.460 -8.032 1.00 0.00 C -ATOM 1192 NZ LYS A 70 12.749 -3.640 -8.166 1.00 0.00 N -ATOM 1193 H LYS A 70 13.879 2.107 -5.318 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.491 2.672 -8.142 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.183 1.184 -6.909 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.393 1.447 -8.641 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.436 0.107 -8.569 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.233 -0.109 -6.835 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 12.070 -1.227 -7.244 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.332 -1.052 -8.978 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 14.304 -2.436 -8.865 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 14.177 -2.536 -7.112 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 13.327 -4.504 -8.189 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 12.205 -3.596 -9.050 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 12.073 -3.719 -7.381 1.00 0.00 H -ATOM 1206 N VAL A 71 12.798 4.457 -6.220 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.004 5.674 -5.960 1.00 0.00 C -ATOM 1208 C VAL A 71 10.488 5.398 -6.210 1.00 0.00 C -ATOM 1209 O VAL A 71 9.701 6.278 -6.562 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.525 6.892 -6.809 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 11.915 8.202 -6.331 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.051 6.984 -6.761 1.00 0.00 C -ATOM 1213 H VAL A 71 13.348 4.120 -5.483 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.119 5.897 -4.908 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.225 6.734 -7.835 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 12.165 8.361 -5.292 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 10.843 8.155 -6.445 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.303 9.017 -6.923 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.477 6.071 -7.152 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.373 7.120 -5.739 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.385 7.819 -7.359 1.00 0.00 H -ATOM 1222 N VAL A 72 10.070 4.186 -5.944 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.700 3.813 -6.193 1.00 0.00 C -ATOM 1224 C VAL A 72 8.084 3.150 -4.967 1.00 0.00 C -ATOM 1225 O VAL A 72 8.746 2.396 -4.245 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.554 2.894 -7.463 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.289 1.580 -7.296 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.091 2.645 -7.830 1.00 0.00 C -ATOM 1229 H VAL A 72 10.683 3.538 -5.534 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.161 4.731 -6.377 1.00 0.00 H -ATOM 1231 HB VAL A 72 9.023 3.414 -8.286 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 10.334 1.793 -7.136 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 9.165 0.987 -8.190 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 8.890 1.047 -6.445 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.595 2.156 -7.004 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 7.041 2.014 -8.705 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.601 3.585 -8.036 1.00 0.00 H -ATOM 1238 N VAL A 73 6.866 3.496 -4.711 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.087 2.913 -3.681 1.00 0.00 C -ATOM 1240 C VAL A 73 5.199 1.873 -4.343 1.00 0.00 C -ATOM 1241 O VAL A 73 4.343 2.199 -5.175 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.227 3.985 -2.978 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.374 3.378 -1.892 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.110 5.076 -2.406 1.00 0.00 C -ATOM 1245 H VAL A 73 6.433 4.189 -5.258 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.743 2.438 -2.967 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.583 4.433 -3.719 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 5.008 2.907 -1.154 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 3.711 2.642 -2.321 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.790 4.152 -1.417 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 6.807 4.641 -1.707 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 5.497 5.804 -1.895 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 6.654 5.556 -3.207 1.00 0.00 H -ATOM 1254 N PHE A 74 5.420 0.654 -4.002 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.752 -0.449 -4.616 1.00 0.00 C -ATOM 1256 C PHE A 74 3.712 -1.013 -3.662 1.00 0.00 C -ATOM 1257 O PHE A 74 4.058 -1.581 -2.630 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.814 -1.507 -4.967 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.317 -2.723 -5.685 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 5.132 -2.700 -7.051 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 5.063 -3.900 -4.996 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.703 -3.821 -7.720 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.629 -5.024 -5.661 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.449 -4.985 -7.026 1.00 0.00 C -ATOM 1265 H PHE A 74 6.062 0.472 -3.278 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.280 -0.116 -5.527 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.564 -1.050 -5.596 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.289 -1.830 -4.052 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 5.328 -1.789 -7.597 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.206 -3.929 -3.927 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.563 -3.787 -8.789 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.431 -5.934 -5.114 1.00 0.00 H -ATOM 1273 HZ PHE A 74 4.110 -5.864 -7.554 1.00 0.00 H -ATOM 1274 N VAL A 75 2.452 -0.823 -3.988 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.366 -1.343 -3.183 1.00 0.00 C -ATOM 1276 C VAL A 75 1.293 -2.833 -3.380 1.00 0.00 C -ATOM 1277 O VAL A 75 1.147 -3.320 -4.512 1.00 0.00 O -ATOM 1278 CB VAL A 75 -0.000 -0.682 -3.527 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.133 -1.268 -2.672 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.077 0.825 -3.333 1.00 0.00 C -ATOM 1281 H VAL A 75 2.248 -0.330 -4.814 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.608 -1.149 -2.150 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.222 -0.881 -4.564 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -0.919 -1.108 -1.626 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -1.215 -2.329 -2.857 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -2.069 -0.785 -2.920 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 -0.878 1.267 -3.574 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 0.837 1.235 -3.981 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.324 1.048 -2.305 1.00 0.00 H -ATOM 1290 N ILE A 76 1.413 -3.544 -2.296 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.466 -4.973 -2.335 1.00 0.00 C -ATOM 1292 C ILE A 76 0.075 -5.545 -2.107 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.351 -6.493 -2.773 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.397 -5.509 -1.215 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.774 -4.843 -1.273 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.553 -7.008 -1.344 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.702 -5.276 -0.156 1.00 0.00 C -ATOM 1298 H ILE A 76 1.452 -3.089 -1.426 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.857 -5.293 -3.289 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.939 -5.289 -0.262 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.247 -5.090 -2.212 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.653 -3.772 -1.211 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 1.578 -7.471 -1.318 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 3.154 -7.380 -0.527 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 3.036 -7.233 -2.284 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 5.657 -4.789 -0.275 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.834 -6.347 -0.196 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 4.272 -5.001 0.796 1.00 0.00 H -ATOM 1309 N SER A 77 -0.638 -4.971 -1.168 1.00 0.00 N -ATOM 1310 CA SER A 77 -1.936 -5.470 -0.800 1.00 0.00 C -ATOM 1311 C SER A 77 -2.784 -4.350 -0.245 1.00 0.00 C -ATOM 1312 O SER A 77 -2.259 -3.369 0.293 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.780 -6.577 0.245 1.00 0.00 C -ATOM 1314 OG SER A 77 -0.946 -7.604 -0.249 1.00 0.00 O -ATOM 1315 H SER A 77 -0.306 -4.176 -0.693 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.409 -5.886 -1.677 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.334 -6.168 1.139 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.748 -6.994 0.479 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.751 -7.406 -1.176 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.068 -4.487 -0.375 1.00 0.00 N -ATOM 1321 CA VAL A 78 -4.995 -3.513 0.110 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.278 -4.238 0.514 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.636 -5.246 -0.106 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.264 -2.412 -0.974 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.895 -2.981 -2.237 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.088 -1.272 -0.422 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.456 -5.282 -0.801 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.561 -3.054 0.987 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.300 -2.020 -1.264 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -6.064 -2.186 -2.947 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -6.837 -3.445 -1.988 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -5.233 -3.716 -2.672 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.558 -0.831 0.408 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -7.049 -1.640 -0.093 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.223 -0.530 -1.196 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.908 -3.795 1.573 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.122 -4.425 2.006 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.367 -4.214 3.467 1.00 0.00 C -ATOM 1339 O GLY A 79 -8.264 -3.103 3.957 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.552 -3.040 2.095 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.954 -4.028 1.444 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.038 -5.484 1.821 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.677 -5.262 4.172 1.00 0.00 N -ATOM 1344 CA LYS A 80 -8.964 -5.164 5.581 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.055 -6.087 6.379 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.405 -6.973 5.820 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.434 -5.479 5.845 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.396 -4.544 5.127 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.843 -4.876 5.422 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.229 -4.535 6.853 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -14.590 -5.001 7.169 1.00 0.00 N -ATOM 1352 H LYS A 80 -8.724 -6.145 3.742 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.770 -4.144 5.880 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.628 -6.484 5.497 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.626 -5.428 6.904 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.203 -3.530 5.445 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.225 -4.617 4.063 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -13.464 -4.307 4.748 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.000 -5.932 5.253 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -12.532 -5.004 7.532 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -13.186 -3.463 6.979 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -14.873 -4.708 8.127 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -14.580 -6.044 7.155 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -15.293 -4.676 6.476 1.00 0.00 H -ATOM 1365 N ALA A 81 -8.031 -5.902 7.680 1.00 0.00 N -ATOM 1366 CA ALA A 81 -7.149 -6.670 8.541 1.00 0.00 C -ATOM 1367 C ALA A 81 -7.841 -7.901 9.087 1.00 0.00 C -ATOM 1368 O ALA A 81 -7.260 -8.651 9.870 1.00 0.00 O -ATOM 1369 CB ALA A 81 -6.629 -5.809 9.673 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.637 -5.246 8.092 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.306 -6.987 7.945 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -7.452 -5.510 10.304 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -6.154 -4.928 9.264 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -5.912 -6.367 10.256 1.00 0.00 H -ATOM 1375 N GLU A 82 -9.064 -8.118 8.654 1.00 0.00 N -ATOM 1376 CA GLU A 82 -9.837 -9.246 9.100 1.00 0.00 C -ATOM 1377 C GLU A 82 -9.200 -10.538 8.633 1.00 0.00 C -ATOM 1378 O GLU A 82 -8.855 -10.681 7.448 1.00 0.00 O -ATOM 1379 CB GLU A 82 -11.302 -9.126 8.650 1.00 0.00 C -ATOM 1380 CG GLU A 82 -11.495 -8.847 7.167 1.00 0.00 C -ATOM 1381 CD GLU A 82 -12.948 -8.729 6.786 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -13.563 -7.671 7.043 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -13.503 -9.691 6.227 1.00 0.00 O -ATOM 1384 H GLU A 82 -9.445 -7.515 7.986 1.00 0.00 H -ATOM 1385 HA GLU A 82 -9.801 -9.233 10.179 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -11.813 -10.047 8.886 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -11.760 -8.324 9.209 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -11.004 -7.917 6.929 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -11.045 -9.647 6.598 1.00 0.00 H -ATOM 1390 N ALA A 83 -8.962 -11.431 9.594 1.00 0.00 N -ATOM 1391 CA ALA A 83 -8.339 -12.736 9.370 1.00 0.00 C -ATOM 1392 C ALA A 83 -6.881 -12.585 8.920 1.00 0.00 C -ATOM 1393 O ALA A 83 -6.292 -13.521 8.391 1.00 0.00 O -ATOM 1394 CB ALA A 83 -9.150 -13.553 8.365 1.00 0.00 C -ATOM 1395 H ALA A 83 -9.222 -11.203 10.514 1.00 0.00 H -ATOM 1396 HA ALA A 83 -8.341 -13.259 10.316 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -8.725 -14.539 8.255 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -9.127 -13.032 7.419 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -10.173 -13.623 8.706 1.00 0.00 H -ATOM 1400 N SER A 84 -6.302 -11.396 9.169 1.00 0.00 N -ATOM 1401 CA SER A 84 -4.921 -11.068 8.787 1.00 0.00 C -ATOM 1402 C SER A 84 -4.744 -11.147 7.249 1.00 0.00 C -ATOM 1403 O SER A 84 -3.631 -11.319 6.751 1.00 0.00 O -ATOM 1404 CB SER A 84 -3.939 -12.023 9.504 1.00 0.00 C -ATOM 1405 OG SER A 84 -4.159 -12.006 10.919 1.00 0.00 O -ATOM 1406 H SER A 84 -6.834 -10.719 9.642 1.00 0.00 H -ATOM 1407 HA SER A 84 -4.726 -10.056 9.107 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -4.092 -13.029 9.141 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -2.923 -11.716 9.304 1.00 0.00 H -ATOM 1410 HG SER A 84 -5.106 -11.850 11.047 1.00 0.00 H -ATOM 1411 N GLU A 85 -5.843 -10.876 6.523 1.00 0.00 N -ATOM 1412 CA GLU A 85 -5.914 -11.041 5.060 1.00 0.00 C -ATOM 1413 C GLU A 85 -4.827 -10.218 4.346 1.00 0.00 C -ATOM 1414 O GLU A 85 -4.061 -10.761 3.548 1.00 0.00 O -ATOM 1415 CB GLU A 85 -7.305 -10.606 4.574 1.00 0.00 C -ATOM 1416 CG GLU A 85 -7.639 -10.980 3.135 1.00 0.00 C -ATOM 1417 CD GLU A 85 -7.750 -12.473 2.935 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -8.766 -13.079 3.376 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -6.828 -13.092 2.371 1.00 0.00 O -ATOM 1420 H GLU A 85 -6.657 -10.590 6.991 1.00 0.00 H -ATOM 1421 HA GLU A 85 -5.779 -12.087 4.829 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -8.048 -11.061 5.213 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -7.380 -9.533 4.671 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -8.579 -10.523 2.863 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -6.857 -10.602 2.493 1.00 0.00 H -ATOM 1426 N VAL A 86 -4.730 -8.930 4.676 1.00 0.00 N -ATOM 1427 CA VAL A 86 -3.726 -8.053 4.053 1.00 0.00 C -ATOM 1428 C VAL A 86 -2.291 -8.475 4.345 1.00 0.00 C -ATOM 1429 O VAL A 86 -1.407 -8.207 3.559 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.901 -6.551 4.413 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -5.153 -5.993 3.782 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -3.926 -6.342 5.926 1.00 0.00 C -ATOM 1433 H VAL A 86 -5.364 -8.559 5.324 1.00 0.00 H -ATOM 1434 HA VAL A 86 -3.868 -8.153 2.986 1.00 0.00 H -ATOM 1435 HB VAL A 86 -3.057 -6.011 4.009 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -5.091 -6.088 2.708 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -5.256 -4.950 4.046 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -6.009 -6.542 4.143 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -4.050 -5.291 6.142 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -3.001 -6.696 6.356 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -4.751 -6.897 6.348 1.00 0.00 H -ATOM 1442 N TYR A 87 -2.071 -9.157 5.450 1.00 0.00 N -ATOM 1443 CA TYR A 87 -0.728 -9.555 5.810 1.00 0.00 C -ATOM 1444 C TYR A 87 -0.334 -10.803 5.043 1.00 0.00 C -ATOM 1445 O TYR A 87 0.777 -10.889 4.512 1.00 0.00 O -ATOM 1446 CB TYR A 87 -0.584 -9.773 7.320 1.00 0.00 C -ATOM 1447 CG TYR A 87 -0.877 -8.542 8.164 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 -0.115 -7.384 8.035 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 -1.910 -8.542 9.091 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 -0.376 -6.266 8.808 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 -2.174 -7.430 9.867 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -1.408 -6.297 9.724 1.00 0.00 C -ATOM 1453 OH TYR A 87 -1.677 -5.185 10.502 1.00 0.00 O -ATOM 1454 H TYR A 87 -2.831 -9.430 6.004 1.00 0.00 H -ATOM 1455 HA TYR A 87 -0.071 -8.753 5.505 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 -1.261 -10.556 7.626 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 0.428 -10.087 7.530 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 0.692 -7.363 7.317 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 -2.512 -9.431 9.207 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 0.228 -5.378 8.693 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 -2.980 -7.448 10.584 1.00 0.00 H -ATOM 1462 HH TYR A 87 -1.599 -5.467 11.422 1.00 0.00 H -ATOM 1463 N SER A 88 -1.263 -11.746 4.956 1.00 0.00 N -ATOM 1464 CA SER A 88 -1.047 -12.986 4.230 1.00 0.00 C -ATOM 1465 C SER A 88 -0.858 -12.693 2.738 1.00 0.00 C -ATOM 1466 O SER A 88 0.024 -13.261 2.079 1.00 0.00 O -ATOM 1467 CB SER A 88 -2.249 -13.899 4.442 1.00 0.00 C -ATOM 1468 OG SER A 88 -2.514 -14.057 5.830 1.00 0.00 O -ATOM 1469 H SER A 88 -2.129 -11.628 5.406 1.00 0.00 H -ATOM 1470 HA SER A 88 -0.163 -13.466 4.620 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -3.114 -13.462 3.967 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -2.048 -14.869 4.014 1.00 0.00 H -ATOM 1473 HG SER A 88 -3.052 -14.852 5.930 1.00 0.00 H -ATOM 1474 N GLU A 89 -1.672 -11.776 2.227 1.00 0.00 N -ATOM 1475 CA GLU A 89 -1.610 -11.366 0.843 1.00 0.00 C -ATOM 1476 C GLU A 89 -0.241 -10.732 0.569 1.00 0.00 C -ATOM 1477 O GLU A 89 0.447 -11.102 -0.396 1.00 0.00 O -ATOM 1478 CB GLU A 89 -2.728 -10.347 0.564 1.00 0.00 C -ATOM 1479 CG GLU A 89 -2.972 -10.023 -0.909 1.00 0.00 C -ATOM 1480 CD GLU A 89 -3.535 -11.188 -1.672 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -4.672 -11.594 -1.393 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -2.861 -11.731 -2.563 1.00 0.00 O -ATOM 1483 H GLU A 89 -2.353 -11.366 2.806 1.00 0.00 H -ATOM 1484 HA GLU A 89 -1.751 -12.234 0.216 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -3.653 -10.726 0.973 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -2.480 -9.428 1.074 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -3.668 -9.201 -0.979 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -2.032 -9.737 -1.359 1.00 0.00 H -ATOM 1489 N ALA A 90 0.169 -9.837 1.469 1.00 0.00 N -ATOM 1490 CA ALA A 90 1.404 -9.078 1.337 1.00 0.00 C -ATOM 1491 C ALA A 90 2.633 -9.957 1.319 1.00 0.00 C -ATOM 1492 O ALA A 90 3.436 -9.879 0.386 1.00 0.00 O -ATOM 1493 CB ALA A 90 1.522 -8.027 2.431 1.00 0.00 C -ATOM 1494 H ALA A 90 -0.398 -9.666 2.251 1.00 0.00 H -ATOM 1495 HA ALA A 90 1.350 -8.557 0.394 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 1.622 -8.516 3.389 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 0.635 -7.411 2.434 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 2.390 -7.410 2.247 1.00 0.00 H -ATOM 1499 N VAL A 91 2.775 -10.813 2.322 1.00 0.00 N -ATOM 1500 CA VAL A 91 3.959 -11.651 2.427 1.00 0.00 C -ATOM 1501 C VAL A 91 4.071 -12.606 1.228 1.00 0.00 C -ATOM 1502 O VAL A 91 5.158 -12.818 0.684 1.00 0.00 O -ATOM 1503 CB VAL A 91 4.041 -12.412 3.795 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 2.918 -13.426 3.974 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 5.409 -13.058 3.989 1.00 0.00 C -ATOM 1506 H VAL A 91 2.067 -10.875 3.005 1.00 0.00 H -ATOM 1507 HA VAL A 91 4.799 -10.974 2.358 1.00 0.00 H -ATOM 1508 HB VAL A 91 3.913 -11.671 4.571 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 2.971 -14.159 3.182 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 1.966 -12.919 3.931 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 3.021 -13.919 4.930 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 5.597 -13.757 3.188 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 5.426 -13.584 4.933 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 6.172 -12.294 3.987 1.00 0.00 H -ATOM 1515 N LYS A 92 2.936 -13.098 0.758 1.00 0.00 N -ATOM 1516 CA LYS A 92 2.928 -14.001 -0.365 1.00 0.00 C -ATOM 1517 C LYS A 92 3.270 -13.293 -1.670 1.00 0.00 C -ATOM 1518 O LYS A 92 3.749 -13.925 -2.591 1.00 0.00 O -ATOM 1519 CB LYS A 92 1.607 -14.760 -0.482 1.00 0.00 C -ATOM 1520 CG LYS A 92 1.349 -15.767 0.629 1.00 0.00 C -ATOM 1521 CD LYS A 92 2.389 -16.877 0.642 1.00 0.00 C -ATOM 1522 CE LYS A 92 2.121 -17.878 1.753 1.00 0.00 C -ATOM 1523 NZ LYS A 92 2.147 -17.252 3.086 1.00 0.00 N -ATOM 1524 H LYS A 92 2.089 -12.842 1.185 1.00 0.00 H -ATOM 1525 HA LYS A 92 3.715 -14.717 -0.182 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 0.804 -14.039 -0.448 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 1.579 -15.281 -1.427 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 1.373 -15.257 1.580 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 0.373 -16.204 0.481 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 2.362 -17.396 -0.303 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 3.369 -16.446 0.788 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 1.147 -18.316 1.599 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 2.875 -18.650 1.708 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 1.395 -16.540 3.191 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 3.065 -16.808 3.283 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 1.985 -17.971 3.820 1.00 0.00 H -ATOM 1537 N ARG A 93 3.067 -11.984 -1.741 1.00 0.00 N -ATOM 1538 CA ARG A 93 3.396 -11.250 -2.967 1.00 0.00 C -ATOM 1539 C ARG A 93 4.879 -11.008 -3.090 1.00 0.00 C -ATOM 1540 O ARG A 93 5.380 -10.673 -4.166 1.00 0.00 O -ATOM 1541 CB ARG A 93 2.640 -9.926 -3.107 1.00 0.00 C -ATOM 1542 CG ARG A 93 1.131 -10.047 -3.243 1.00 0.00 C -ATOM 1543 CD ARG A 93 0.750 -10.993 -4.364 1.00 0.00 C -ATOM 1544 NE ARG A 93 1.310 -10.601 -5.652 1.00 0.00 N -ATOM 1545 CZ ARG A 93 2.114 -11.355 -6.403 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 2.331 -12.619 -6.087 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 2.668 -10.844 -7.484 1.00 0.00 N -ATOM 1548 H ARG A 93 2.696 -11.501 -0.969 1.00 0.00 H -ATOM 1549 HA ARG A 93 3.129 -11.891 -3.788 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 2.842 -9.333 -2.227 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 3.021 -9.402 -3.971 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 0.727 -10.424 -2.315 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 0.716 -9.070 -3.447 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 1.099 -11.981 -4.113 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 -0.326 -10.993 -4.429 1.00 0.00 H -ATOM 1556 HE ARG A 93 1.067 -9.681 -5.944 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 1.914 -13.067 -5.293 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 2.940 -13.207 -6.625 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 2.477 -9.884 -7.725 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 3.299 -11.368 -8.064 1.00 0.00 H -ATOM 1561 N ILE A 94 5.574 -11.186 -2.008 1.00 0.00 N -ATOM 1562 CA ILE A 94 6.999 -10.992 -1.987 1.00 0.00 C -ATOM 1563 C ILE A 94 7.703 -12.243 -2.515 1.00 0.00 C -ATOM 1564 O ILE A 94 8.747 -12.158 -3.149 1.00 0.00 O -ATOM 1565 CB ILE A 94 7.472 -10.634 -0.559 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 6.716 -9.385 -0.094 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 8.987 -10.393 -0.519 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 6.938 -9.030 1.344 1.00 0.00 C -ATOM 1569 H ILE A 94 5.111 -11.455 -1.185 1.00 0.00 H -ATOM 1570 HA ILE A 94 7.222 -10.166 -2.648 1.00 0.00 H -ATOM 1571 HB ILE A 94 7.225 -11.449 0.105 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 7.030 -8.541 -0.690 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 5.658 -9.546 -0.241 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 9.505 -11.284 -0.840 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 9.289 -10.143 0.488 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 9.237 -9.575 -1.179 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 6.617 -9.865 1.949 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 6.347 -8.158 1.579 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 7.986 -8.834 1.510 1.00 0.00 H -ATOM 1580 N LEU A 95 7.107 -13.388 -2.296 1.00 0.00 N -ATOM 1581 CA LEU A 95 7.681 -14.621 -2.774 1.00 0.00 C -ATOM 1582 C LEU A 95 6.951 -15.077 -4.030 1.00 0.00 C -ATOM 1583 O LEU A 95 6.036 -15.909 -3.942 1.00 0.00 O -ATOM 1584 CB LEU A 95 7.682 -15.731 -1.690 1.00 0.00 C -ATOM 1585 CG LEU A 95 8.592 -15.532 -0.449 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 10.027 -15.222 -0.845 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 8.042 -14.489 0.518 1.00 0.00 C -ATOM 1588 OXT LEU A 95 7.254 -14.557 -5.118 1.00 0.00 O -ATOM 1589 H LEU A 95 6.251 -13.412 -1.822 1.00 0.00 H -ATOM 1590 HA LEU A 95 8.701 -14.402 -3.055 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 6.667 -15.842 -1.337 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 7.970 -16.651 -2.174 1.00 0.00 H -ATOM 1593 HG LEU A 95 8.633 -16.479 0.068 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 10.418 -16.025 -1.453 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 10.627 -15.125 0.048 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 10.060 -14.295 -1.397 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 7.076 -14.807 0.877 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 7.942 -13.545 0.003 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 8.720 -14.377 1.352 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 12 -ATOM 1 N MET A 1 11.723 15.073 -2.665 1.00 0.00 N -ATOM 2 CA MET A 1 11.584 13.999 -3.653 1.00 0.00 C -ATOM 3 C MET A 1 10.218 13.378 -3.528 1.00 0.00 C -ATOM 4 O MET A 1 9.720 13.174 -2.412 1.00 0.00 O -ATOM 5 CB MET A 1 12.651 12.917 -3.432 1.00 0.00 C -ATOM 6 CG MET A 1 12.605 11.760 -4.433 1.00 0.00 C -ATOM 7 SD MET A 1 13.814 10.460 -4.071 1.00 0.00 S -ATOM 8 CE MET A 1 15.361 11.361 -4.248 1.00 0.00 C -ATOM 9 H MET A 1 11.585 14.695 -1.706 1.00 0.00 H -ATOM 10 HA MET A 1 11.694 14.415 -4.642 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.624 13.378 -3.494 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.507 12.509 -2.445 1.00 0.00 H -ATOM 13 HG2 MET A 1 11.617 11.323 -4.411 1.00 0.00 H -ATOM 14 HG3 MET A 1 12.799 12.148 -5.422 1.00 0.00 H -ATOM 15 HE1 MET A 1 15.399 12.163 -3.525 1.00 0.00 H -ATOM 16 HE2 MET A 1 15.428 11.773 -5.243 1.00 0.00 H -ATOM 17 HE3 MET A 1 16.189 10.688 -4.082 1.00 0.00 H -ATOM 18 N ALA A 2 9.621 13.100 -4.641 1.00 0.00 N -ATOM 19 CA ALA A 2 8.338 12.457 -4.697 1.00 0.00 C -ATOM 20 C ALA A 2 8.529 11.120 -5.361 1.00 0.00 C -ATOM 21 O ALA A 2 9.226 11.025 -6.376 1.00 0.00 O -ATOM 22 CB ALA A 2 7.339 13.307 -5.472 1.00 0.00 C -ATOM 23 H ALA A 2 10.077 13.312 -5.485 1.00 0.00 H -ATOM 24 HA ALA A 2 7.982 12.310 -3.688 1.00 0.00 H -ATOM 25 HB1 ALA A 2 6.389 12.796 -5.506 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.702 13.459 -6.478 1.00 0.00 H -ATOM 27 HB3 ALA A 2 7.218 14.260 -4.977 1.00 0.00 H -ATOM 28 N TYR A 3 7.967 10.104 -4.793 1.00 0.00 N -ATOM 29 CA TYR A 3 8.132 8.763 -5.317 1.00 0.00 C -ATOM 30 C TYR A 3 7.038 8.441 -6.300 1.00 0.00 C -ATOM 31 O TYR A 3 6.016 9.129 -6.353 1.00 0.00 O -ATOM 32 CB TYR A 3 8.124 7.721 -4.190 1.00 0.00 C -ATOM 33 CG TYR A 3 9.329 7.734 -3.266 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.758 8.900 -2.650 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.030 6.560 -3.004 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.840 8.901 -1.807 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.112 6.555 -2.152 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.510 7.732 -1.557 1.00 0.00 C -ATOM 39 OH TYR A 3 12.572 7.739 -0.698 1.00 0.00 O -ATOM 40 H TYR A 3 7.399 10.243 -4.006 1.00 0.00 H -ATOM 41 HA TYR A 3 9.084 8.716 -5.823 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.245 7.867 -3.580 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.068 6.743 -4.647 1.00 0.00 H -ATOM 44 HD1 TYR A 3 9.230 9.822 -2.847 1.00 0.00 H -ATOM 45 HD2 TYR A 3 9.713 5.641 -3.474 1.00 0.00 H -ATOM 46 HE1 TYR A 3 11.156 9.822 -1.339 1.00 0.00 H -ATOM 47 HE2 TYR A 3 11.645 5.636 -1.959 1.00 0.00 H -ATOM 48 HH TYR A 3 13.260 7.131 -1.026 1.00 0.00 H -ATOM 49 N PHE A 4 7.265 7.427 -7.083 1.00 0.00 N -ATOM 50 CA PHE A 4 6.280 6.931 -8.009 1.00 0.00 C -ATOM 51 C PHE A 4 5.360 5.988 -7.261 1.00 0.00 C -ATOM 52 O PHE A 4 5.753 5.435 -6.248 1.00 0.00 O -ATOM 53 CB PHE A 4 6.964 6.188 -9.167 1.00 0.00 C -ATOM 54 CG PHE A 4 7.820 7.056 -10.047 1.00 0.00 C -ATOM 55 CD1 PHE A 4 9.162 7.257 -9.762 1.00 0.00 C -ATOM 56 CD2 PHE A 4 7.280 7.667 -11.161 1.00 0.00 C -ATOM 57 CE1 PHE A 4 9.946 8.050 -10.575 1.00 0.00 C -ATOM 58 CE2 PHE A 4 8.057 8.460 -11.977 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.392 8.654 -11.685 1.00 0.00 C -ATOM 60 H PHE A 4 8.139 6.978 -7.028 1.00 0.00 H -ATOM 61 HA PHE A 4 5.712 7.762 -8.397 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.612 5.434 -8.745 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.221 5.701 -9.780 1.00 0.00 H -ATOM 64 HD1 PHE A 4 9.593 6.784 -8.893 1.00 0.00 H -ATOM 65 HD2 PHE A 4 6.236 7.518 -11.393 1.00 0.00 H -ATOM 66 HE1 PHE A 4 10.991 8.200 -10.342 1.00 0.00 H -ATOM 67 HE2 PHE A 4 7.614 8.930 -12.842 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.001 9.276 -12.324 1.00 0.00 H -ATOM 69 N LEU A 5 4.163 5.819 -7.724 1.00 0.00 N -ATOM 70 CA LEU A 5 3.239 4.908 -7.075 1.00 0.00 C -ATOM 71 C LEU A 5 2.888 3.810 -8.075 1.00 0.00 C -ATOM 72 O LEU A 5 2.440 4.104 -9.187 1.00 0.00 O -ATOM 73 CB LEU A 5 1.968 5.679 -6.613 1.00 0.00 C -ATOM 74 CG LEU A 5 1.061 5.035 -5.514 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.475 3.701 -5.923 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.804 4.899 -4.199 1.00 0.00 C -ATOM 77 H LEU A 5 3.876 6.306 -8.525 1.00 0.00 H -ATOM 78 HA LEU A 5 3.735 4.474 -6.221 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.286 6.645 -6.249 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.357 5.848 -7.488 1.00 0.00 H -ATOM 81 HG LEU A 5 0.227 5.700 -5.345 1.00 0.00 H -ATOM 82 HD11 LEU A 5 1.277 3.028 -6.190 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.192 3.827 -6.763 1.00 0.00 H -ATOM 84 HD13 LEU A 5 -0.065 3.283 -5.085 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.685 4.292 -4.345 1.00 0.00 H -ATOM 86 HD22 LEU A 5 1.161 4.416 -3.478 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.087 5.872 -3.829 1.00 0.00 H -ATOM 88 N ASP A 6 3.109 2.576 -7.694 1.00 0.00 N -ATOM 89 CA ASP A 6 2.820 1.435 -8.547 1.00 0.00 C -ATOM 90 C ASP A 6 2.016 0.412 -7.755 1.00 0.00 C -ATOM 91 O ASP A 6 2.003 0.449 -6.522 1.00 0.00 O -ATOM 92 CB ASP A 6 4.130 0.821 -9.073 1.00 0.00 C -ATOM 93 CG ASP A 6 3.931 -0.298 -10.075 1.00 0.00 C -ATOM 94 OD1 ASP A 6 3.011 -0.209 -10.921 1.00 0.00 O -ATOM 95 OD2 ASP A 6 4.707 -1.274 -10.058 1.00 0.00 O -ATOM 96 H ASP A 6 3.471 2.398 -6.794 1.00 0.00 H -ATOM 97 HA ASP A 6 2.225 1.782 -9.379 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.727 1.588 -9.543 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.667 0.420 -8.228 1.00 0.00 H -ATOM 100 N PHE A 7 1.349 -0.475 -8.441 1.00 0.00 N -ATOM 101 CA PHE A 7 0.508 -1.479 -7.812 1.00 0.00 C -ATOM 102 C PHE A 7 0.814 -2.827 -8.401 1.00 0.00 C -ATOM 103 O PHE A 7 1.108 -2.931 -9.600 1.00 0.00 O -ATOM 104 CB PHE A 7 -0.988 -1.229 -8.093 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.597 0.047 -7.592 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -2.180 0.103 -6.338 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -1.638 1.173 -8.396 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.782 1.262 -5.888 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.244 2.329 -7.956 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.815 2.377 -6.699 1.00 0.00 C -ATOM 111 H PHE A 7 1.469 -0.500 -9.416 1.00 0.00 H -ATOM 112 HA PHE A 7 0.668 -1.480 -6.745 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.135 -1.239 -9.162 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.547 -2.053 -7.671 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -2.155 -0.769 -5.702 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -1.185 1.140 -9.376 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -3.227 1.296 -4.904 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -2.268 3.199 -8.596 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.290 3.284 -6.354 1.00 0.00 H -ATOM 120 N ASP A 8 0.752 -3.851 -7.592 1.00 0.00 N -ATOM 121 CA ASP A 8 0.804 -5.205 -8.111 1.00 0.00 C -ATOM 122 C ASP A 8 -0.588 -5.516 -8.633 1.00 0.00 C -ATOM 123 O ASP A 8 -1.568 -4.904 -8.173 1.00 0.00 O -ATOM 124 CB ASP A 8 1.176 -6.227 -7.015 1.00 0.00 C -ATOM 125 CG ASP A 8 1.335 -7.645 -7.565 1.00 0.00 C -ATOM 126 OD1 ASP A 8 0.335 -8.331 -7.760 1.00 0.00 O -ATOM 127 OD2 ASP A 8 2.474 -8.088 -7.826 1.00 0.00 O -ATOM 128 H ASP A 8 0.682 -3.703 -6.623 1.00 0.00 H -ATOM 129 HA ASP A 8 1.516 -5.241 -8.921 1.00 0.00 H -ATOM 130 HB2 ASP A 8 2.104 -5.930 -6.551 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.395 -6.237 -6.269 1.00 0.00 H -ATOM 132 N GLU A 9 -0.697 -6.419 -9.579 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.983 -6.802 -10.122 1.00 0.00 C -ATOM 134 C GLU A 9 -2.925 -7.346 -9.028 1.00 0.00 C -ATOM 135 O GLU A 9 -4.142 -7.154 -9.105 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.809 -7.763 -11.311 1.00 0.00 C -ATOM 137 CG GLU A 9 -1.055 -9.054 -11.014 1.00 0.00 C -ATOM 138 CD GLU A 9 -1.957 -10.252 -10.893 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -2.454 -10.549 -9.803 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -2.200 -10.925 -11.910 1.00 0.00 O -ATOM 141 H GLU A 9 0.115 -6.850 -9.921 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.430 -5.886 -10.482 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.789 -8.034 -11.675 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -1.285 -7.237 -12.096 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -0.349 -9.240 -11.809 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -0.521 -8.929 -10.084 1.00 0.00 H -ATOM 147 N ARG A 10 -2.349 -7.955 -7.980 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.122 -8.434 -6.835 1.00 0.00 C -ATOM 149 C ARG A 10 -3.764 -7.269 -6.137 1.00 0.00 C -ATOM 150 O ARG A 10 -4.959 -7.299 -5.832 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.244 -9.209 -5.843 1.00 0.00 C -ATOM 152 CG ARG A 10 -1.641 -10.448 -6.434 1.00 0.00 C -ATOM 153 CD ARG A 10 -2.689 -11.493 -6.745 1.00 0.00 C -ATOM 154 NE ARG A 10 -2.261 -12.333 -7.853 1.00 0.00 N -ATOM 155 CZ ARG A 10 -2.069 -13.647 -7.815 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -2.266 -14.333 -6.700 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -1.685 -14.276 -8.905 1.00 0.00 N -ATOM 158 H ARG A 10 -1.368 -8.090 -7.987 1.00 0.00 H -ATOM 159 HA ARG A 10 -3.898 -9.083 -7.208 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.443 -8.564 -5.512 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -2.844 -9.492 -4.991 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -1.135 -10.185 -7.351 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -0.925 -10.859 -5.737 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -2.827 -12.107 -5.869 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -3.625 -11.023 -7.001 1.00 0.00 H -ATOM 166 HE ARG A 10 -2.123 -11.795 -8.676 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -2.571 -13.923 -5.835 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -2.085 -15.320 -6.683 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -1.522 -13.813 -9.783 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -1.532 -15.270 -8.903 1.00 0.00 H -ATOM 171 N ALA A 11 -2.985 -6.227 -5.943 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.444 -5.027 -5.298 1.00 0.00 C -ATOM 173 C ALA A 11 -4.520 -4.359 -6.130 1.00 0.00 C -ATOM 174 O ALA A 11 -5.497 -3.897 -5.592 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.291 -4.073 -5.048 1.00 0.00 C -ATOM 176 H ALA A 11 -2.060 -6.267 -6.265 1.00 0.00 H -ATOM 177 HA ALA A 11 -3.867 -5.310 -4.345 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -2.654 -3.197 -4.531 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.856 -3.780 -5.992 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -1.542 -4.562 -4.443 1.00 0.00 H -ATOM 181 N LEU A 12 -4.351 -4.370 -7.454 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.317 -3.768 -8.366 1.00 0.00 C -ATOM 183 C LEU A 12 -6.664 -4.454 -8.289 1.00 0.00 C -ATOM 184 O LEU A 12 -7.701 -3.799 -8.297 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.801 -3.789 -9.797 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.683 -2.808 -10.131 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.199 -3.036 -11.547 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.177 -1.372 -9.972 1.00 0.00 C -ATOM 189 H LEU A 12 -3.552 -4.795 -7.836 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.447 -2.741 -8.064 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.443 -4.787 -10.001 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.638 -3.592 -10.448 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.853 -2.959 -9.456 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -4.023 -2.892 -12.230 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.819 -4.043 -11.641 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -2.415 -2.331 -11.776 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -5.035 -1.220 -10.609 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -3.392 -0.689 -10.260 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.453 -1.184 -8.945 1.00 0.00 H -ATOM 200 N LYS A 13 -6.640 -5.764 -8.199 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.853 -6.551 -8.091 1.00 0.00 C -ATOM 202 C LYS A 13 -8.596 -6.201 -6.811 1.00 0.00 C -ATOM 203 O LYS A 13 -9.805 -6.003 -6.824 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.503 -8.025 -8.109 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.929 -8.494 -9.425 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.200 -9.802 -9.259 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.698 -10.325 -10.591 1.00 0.00 C -ATOM 208 NZ LYS A 13 -4.865 -11.534 -10.436 1.00 0.00 N -ATOM 209 H LYS A 13 -5.767 -6.215 -8.216 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.469 -6.325 -8.948 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -6.772 -8.206 -7.336 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.393 -8.598 -7.897 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.730 -8.623 -10.137 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -6.239 -7.748 -9.789 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.358 -9.622 -8.605 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -6.865 -10.521 -8.805 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -6.547 -10.567 -11.213 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -5.113 -9.551 -11.067 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -4.650 -11.939 -11.371 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -5.325 -12.269 -9.866 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -3.945 -11.267 -10.015 1.00 0.00 H -ATOM 222 N GLU A 14 -7.857 -6.083 -5.718 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.438 -5.731 -4.439 1.00 0.00 C -ATOM 224 C GLU A 14 -8.923 -4.276 -4.458 1.00 0.00 C -ATOM 225 O GLU A 14 -9.977 -3.962 -3.943 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.409 -5.925 -3.336 1.00 0.00 C -ATOM 227 CG GLU A 14 -6.800 -7.317 -3.289 1.00 0.00 C -ATOM 228 CD GLU A 14 -7.817 -8.409 -3.101 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -8.576 -8.383 -2.121 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -7.896 -9.308 -3.943 1.00 0.00 O -ATOM 231 H GLU A 14 -6.889 -6.245 -5.763 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.277 -6.386 -4.259 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.610 -5.214 -3.484 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -7.883 -5.729 -2.385 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -6.309 -7.485 -4.237 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.061 -7.370 -2.506 1.00 0.00 H -ATOM 237 N TRP A 15 -8.142 -3.428 -5.086 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.410 -2.000 -5.222 1.00 0.00 C -ATOM 239 C TRP A 15 -9.712 -1.755 -5.984 1.00 0.00 C -ATOM 240 O TRP A 15 -10.541 -0.956 -5.570 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.222 -1.361 -5.957 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.301 0.111 -6.171 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.721 0.751 -7.297 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.924 1.127 -5.247 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.633 2.102 -7.123 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.146 2.361 -5.876 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.421 1.111 -3.945 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.883 3.568 -5.251 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.161 2.312 -3.326 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.389 3.522 -3.977 1.00 0.00 C -ATOM 251 H TRP A 15 -7.305 -3.767 -5.475 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.483 -1.563 -4.237 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.321 -1.552 -5.394 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.127 -1.836 -6.921 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -8.069 0.251 -8.188 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.876 2.776 -7.795 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.237 0.182 -3.427 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -7.056 4.512 -5.746 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.770 2.325 -2.320 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.169 4.438 -3.447 1.00 0.00 H -ATOM 261 N ARG A 16 -9.883 -2.450 -7.090 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.086 -2.310 -7.900 1.00 0.00 C -ATOM 263 C ARG A 16 -12.276 -2.972 -7.210 1.00 0.00 C -ATOM 264 O ARG A 16 -13.426 -2.574 -7.404 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.875 -2.890 -9.295 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.824 -2.169 -10.122 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.643 -2.830 -11.479 1.00 0.00 C -ATOM 268 NE ARG A 16 -10.895 -2.839 -12.252 1.00 0.00 N -ATOM 269 CZ ARG A 16 -11.089 -3.456 -13.426 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -10.095 -4.117 -14.012 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -12.287 -3.405 -14.004 1.00 0.00 N -ATOM 272 H ARG A 16 -9.168 -3.065 -7.373 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.290 -1.252 -7.985 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.564 -3.919 -9.192 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.812 -2.857 -9.833 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.133 -1.145 -10.268 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.885 -2.191 -9.589 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -8.887 -2.295 -12.034 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -9.322 -3.848 -11.321 1.00 0.00 H -ATOM 280 HE ARG A 16 -11.641 -2.342 -11.844 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -9.178 -4.185 -13.607 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -10.219 -4.583 -14.890 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -13.044 -2.911 -13.565 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -12.507 -3.848 -14.878 1.00 0.00 H -ATOM 285 N LYS A 17 -11.979 -3.990 -6.416 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.973 -4.691 -5.604 1.00 0.00 C -ATOM 287 C LYS A 17 -13.510 -3.744 -4.530 1.00 0.00 C -ATOM 288 O LYS A 17 -14.707 -3.762 -4.194 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.307 -5.884 -4.925 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.214 -6.724 -4.047 1.00 0.00 C -ATOM 291 CD LYS A 17 -12.407 -7.693 -3.188 1.00 0.00 C -ATOM 292 CE LYS A 17 -11.553 -8.626 -4.023 1.00 0.00 C -ATOM 293 NZ LYS A 17 -10.779 -9.561 -3.184 1.00 0.00 N -ATOM 294 H LYS A 17 -11.045 -4.294 -6.387 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.775 -5.038 -6.236 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -11.902 -6.524 -5.694 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.490 -5.516 -4.320 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -13.779 -6.067 -3.402 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -13.892 -7.285 -4.672 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -11.761 -7.128 -2.534 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -13.091 -8.282 -2.594 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -12.189 -9.180 -4.698 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -10.870 -8.011 -4.590 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -10.310 -10.276 -3.775 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -11.375 -10.043 -2.481 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -10.024 -9.051 -2.670 1.00 0.00 H -ATOM 307 N LEU A 18 -12.607 -2.945 -3.990 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.911 -1.956 -2.975 1.00 0.00 C -ATOM 309 C LEU A 18 -13.963 -0.972 -3.450 1.00 0.00 C -ATOM 310 O LEU A 18 -14.120 -0.726 -4.657 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.646 -1.188 -2.570 1.00 0.00 C -ATOM 312 CG LEU A 18 -11.045 -1.483 -1.191 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.744 -2.961 -1.004 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.789 -0.664 -1.003 1.00 0.00 C -ATOM 315 H LEU A 18 -11.674 -3.031 -4.287 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.267 -2.501 -2.115 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.887 -1.393 -3.310 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.878 -0.134 -2.615 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.745 -1.176 -0.431 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -11.658 -3.527 -1.099 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -10.324 -3.119 -0.021 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.039 -3.283 -1.756 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.069 -0.913 -1.769 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -9.370 -0.863 -0.027 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -10.042 0.384 -1.078 1.00 0.00 H -ATOM 326 N GLY A 19 -14.671 -0.412 -2.509 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.691 0.543 -2.815 1.00 0.00 C -ATOM 328 C GLY A 19 -15.063 1.838 -3.206 1.00 0.00 C -ATOM 329 O GLY A 19 -13.985 2.173 -2.688 1.00 0.00 O -ATOM 330 H GLY A 19 -14.461 -0.629 -1.576 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.294 0.172 -3.629 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.310 0.702 -1.945 1.00 0.00 H -ATOM 333 N SER A 20 -15.707 2.564 -4.099 1.00 0.00 N -ATOM 334 CA SER A 20 -15.191 3.809 -4.629 1.00 0.00 C -ATOM 335 C SER A 20 -14.735 4.774 -3.534 1.00 0.00 C -ATOM 336 O SER A 20 -13.611 5.227 -3.562 1.00 0.00 O -ATOM 337 CB SER A 20 -16.227 4.458 -5.544 1.00 0.00 C -ATOM 338 OG SER A 20 -16.542 3.597 -6.640 1.00 0.00 O -ATOM 339 H SER A 20 -16.583 2.255 -4.420 1.00 0.00 H -ATOM 340 HA SER A 20 -14.329 3.558 -5.228 1.00 0.00 H -ATOM 341 HB2 SER A 20 -17.128 4.650 -4.980 1.00 0.00 H -ATOM 342 HB3 SER A 20 -15.837 5.389 -5.928 1.00 0.00 H -ATOM 343 HG SER A 20 -16.094 3.981 -7.406 1.00 0.00 H -ATOM 344 N THR A 21 -15.561 4.976 -2.525 1.00 0.00 N -ATOM 345 CA THR A 21 -15.261 5.929 -1.476 1.00 0.00 C -ATOM 346 C THR A 21 -14.059 5.465 -0.639 1.00 0.00 C -ATOM 347 O THR A 21 -13.208 6.273 -0.257 1.00 0.00 O -ATOM 348 CB THR A 21 -16.489 6.128 -0.565 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.638 6.392 -1.390 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.287 7.304 0.387 1.00 0.00 C -ATOM 351 H THR A 21 -16.379 4.440 -2.459 1.00 0.00 H -ATOM 352 HA THR A 21 -15.022 6.874 -1.939 1.00 0.00 H -ATOM 353 HB THR A 21 -16.648 5.225 0.005 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.294 6.570 -2.276 1.00 0.00 H -ATOM 355 HG21 THR A 21 -16.132 8.207 -0.185 1.00 0.00 H -ATOM 356 HG22 THR A 21 -15.424 7.117 1.009 1.00 0.00 H -ATOM 357 HG23 THR A 21 -17.161 7.416 1.011 1.00 0.00 H -ATOM 358 N VAL A 22 -13.962 4.165 -0.415 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.894 3.618 0.405 1.00 0.00 C -ATOM 360 C VAL A 22 -11.557 3.761 -0.315 1.00 0.00 C -ATOM 361 O VAL A 22 -10.589 4.295 0.244 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.168 2.124 0.732 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -12.027 1.512 1.525 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.481 1.976 1.490 1.00 0.00 C -ATOM 365 H VAL A 22 -14.607 3.551 -0.825 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.852 4.177 1.328 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.256 1.586 -0.201 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -11.113 1.585 0.954 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -12.243 0.472 1.727 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -11.914 2.045 2.458 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -15.292 2.353 0.885 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -14.430 2.538 2.411 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.656 0.936 1.719 1.00 0.00 H -ATOM 374 N ARG A 23 -11.526 3.363 -1.566 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.318 3.476 -2.350 1.00 0.00 C -ATOM 376 C ARG A 23 -9.957 4.920 -2.655 1.00 0.00 C -ATOM 377 O ARG A 23 -8.797 5.259 -2.708 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.331 2.619 -3.600 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.545 2.780 -4.460 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.297 2.210 -5.814 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.544 2.066 -6.577 1.00 0.00 N -ATOM 382 CZ ARG A 23 -12.633 1.973 -7.908 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -11.559 2.171 -8.673 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.803 1.706 -8.476 1.00 0.00 N -ATOM 385 H ARG A 23 -12.342 2.981 -1.962 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.537 3.112 -1.697 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.459 2.844 -4.198 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.283 1.586 -3.287 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.354 2.233 -3.997 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.824 3.822 -4.535 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.613 2.899 -6.291 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -10.818 1.248 -5.705 1.00 0.00 H -ATOM 393 HE ARG A 23 -13.345 1.980 -6.015 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -10.661 2.402 -8.293 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -11.589 2.092 -9.673 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -14.649 1.562 -7.958 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -13.895 1.639 -9.475 1.00 0.00 H -ATOM 398 N GLU A 24 -10.957 5.758 -2.865 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.738 7.181 -3.093 1.00 0.00 C -ATOM 400 C GLU A 24 -9.997 7.835 -1.948 1.00 0.00 C -ATOM 401 O GLU A 24 -9.082 8.609 -2.163 1.00 0.00 O -ATOM 402 CB GLU A 24 -12.044 7.895 -3.366 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.482 7.813 -4.816 1.00 0.00 C -ATOM 404 CD GLU A 24 -13.861 8.357 -5.038 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -14.069 9.574 -4.860 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -14.773 7.573 -5.366 1.00 0.00 O -ATOM 407 H GLU A 24 -11.882 5.423 -2.889 1.00 0.00 H -ATOM 408 HA GLU A 24 -10.121 7.258 -3.976 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.798 7.402 -2.766 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.980 8.922 -3.049 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -11.789 8.375 -5.423 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.460 6.777 -5.118 1.00 0.00 H -ATOM 413 N GLN A 25 -10.357 7.500 -0.741 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.688 8.052 0.405 1.00 0.00 C -ATOM 415 C GLN A 25 -8.268 7.477 0.518 1.00 0.00 C -ATOM 416 O GLN A 25 -7.317 8.182 0.903 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.507 7.796 1.644 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.833 8.519 1.657 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.727 8.010 2.749 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -12.719 8.506 3.878 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.493 7.019 2.420 1.00 0.00 N -ATOM 422 H GLN A 25 -11.089 6.858 -0.605 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.607 9.118 0.245 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.713 6.739 1.702 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.948 8.109 2.511 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.657 9.573 1.813 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -12.323 8.371 0.707 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.403 6.719 1.483 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -14.102 6.602 3.068 1.00 0.00 H -ATOM 430 N LEU A 26 -8.128 6.213 0.144 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.835 5.540 0.141 1.00 0.00 C -ATOM 432 C LEU A 26 -5.890 6.124 -0.906 1.00 0.00 C -ATOM 433 O LEU A 26 -4.708 6.309 -0.628 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.987 4.027 -0.062 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.587 3.229 1.107 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.787 1.788 0.699 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.671 3.291 2.326 1.00 0.00 C -ATOM 438 H LEU A 26 -8.924 5.711 -0.131 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.391 5.713 1.109 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.613 3.875 -0.929 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -6.008 3.630 -0.285 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.554 3.622 1.379 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.457 1.744 -0.146 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.210 1.238 1.527 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -6.836 1.353 0.428 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -6.524 4.316 2.631 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -5.714 2.857 2.078 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -7.118 2.734 3.135 1.00 0.00 H -ATOM 449 N LYS A 27 -6.401 6.419 -2.107 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.559 7.001 -3.151 1.00 0.00 C -ATOM 451 C LYS A 27 -5.040 8.362 -2.731 1.00 0.00 C -ATOM 452 O LYS A 27 -3.917 8.720 -3.040 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.277 7.120 -4.487 1.00 0.00 C -ATOM 454 CG LYS A 27 -7.306 8.229 -4.571 1.00 0.00 C -ATOM 455 CD LYS A 27 -7.717 8.517 -5.993 1.00 0.00 C -ATOM 456 CE LYS A 27 -6.558 9.129 -6.773 1.00 0.00 C -ATOM 457 NZ LYS A 27 -6.917 9.381 -8.179 1.00 0.00 N -ATOM 458 H LYS A 27 -7.336 6.177 -2.309 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.709 6.344 -3.267 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -5.581 7.178 -5.306 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -6.828 6.198 -4.544 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -8.166 7.943 -3.986 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -6.858 9.109 -4.135 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -8.022 7.594 -6.464 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -8.545 9.210 -5.991 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -6.274 10.053 -6.291 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -5.715 8.458 -6.733 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -6.126 9.819 -8.693 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -7.747 10.003 -8.249 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -7.158 8.493 -8.662 1.00 0.00 H -ATOM 471 N LYS A 28 -5.878 9.109 -2.031 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.490 10.427 -1.502 1.00 0.00 C -ATOM 473 C LYS A 28 -4.306 10.260 -0.571 1.00 0.00 C -ATOM 474 O LYS A 28 -3.364 11.056 -0.584 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.639 11.085 -0.745 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.879 11.323 -1.562 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.981 11.914 -0.706 1.00 0.00 C -ATOM 478 CE LYS A 28 -10.304 11.930 -1.443 1.00 0.00 C -ATOM 479 NZ LYS A 28 -10.263 12.762 -2.663 1.00 0.00 N -ATOM 480 H LYS A 28 -6.781 8.734 -1.929 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.199 11.048 -2.337 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.920 10.444 0.076 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.304 12.035 -0.356 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.646 12.011 -2.361 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -8.219 10.385 -1.976 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.084 11.323 0.191 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.712 12.925 -0.441 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -10.539 10.913 -1.720 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -11.064 12.306 -0.775 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -10.079 13.759 -2.428 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -11.175 12.708 -3.159 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -9.526 12.434 -3.318 1.00 0.00 H -ATOM 493 N LYS A 29 -4.348 9.183 0.200 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.274 8.840 1.103 1.00 0.00 C -ATOM 495 C LYS A 29 -2.003 8.508 0.358 1.00 0.00 C -ATOM 496 O LYS A 29 -0.916 8.852 0.805 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.674 7.727 2.081 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.713 8.149 3.108 1.00 0.00 C -ATOM 499 CD LYS A 29 -4.158 9.283 3.928 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.114 9.810 4.955 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.548 11.011 5.600 1.00 0.00 N -ATOM 502 H LYS A 29 -5.144 8.611 0.151 1.00 0.00 H -ATOM 503 HA LYS A 29 -3.056 9.733 1.660 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.063 6.887 1.524 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.787 7.421 2.613 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -5.606 8.477 2.597 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -4.940 7.317 3.758 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -3.264 8.955 4.434 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -3.907 10.095 3.261 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.051 10.056 4.479 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.271 9.047 5.704 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -3.717 10.766 6.173 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -5.228 11.518 6.201 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.210 11.667 4.860 1.00 0.00 H -ATOM 515 N LEU A 30 -2.146 7.873 -0.779 1.00 0.00 N -ATOM 516 CA LEU A 30 -1.016 7.565 -1.628 1.00 0.00 C -ATOM 517 C LEU A 30 -0.382 8.858 -2.116 1.00 0.00 C -ATOM 518 O LEU A 30 0.828 9.018 -2.075 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.460 6.727 -2.829 1.00 0.00 C -ATOM 520 CG LEU A 30 -2.197 5.428 -2.510 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.572 4.702 -3.790 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.355 4.537 -1.608 1.00 0.00 C -ATOM 523 H LEU A 30 -3.046 7.584 -1.041 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.298 7.002 -1.050 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.106 7.342 -3.438 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.582 6.482 -3.408 1.00 0.00 H -ATOM 527 HG LEU A 30 -3.115 5.675 -1.994 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -1.678 4.462 -4.345 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -3.204 5.335 -4.396 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -3.102 3.792 -3.551 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -0.406 4.334 -2.077 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -1.872 3.604 -1.444 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -1.195 5.031 -0.661 1.00 0.00 H -ATOM 534 N VAL A 31 -1.226 9.793 -2.517 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.783 11.067 -3.053 1.00 0.00 C -ATOM 536 C VAL A 31 -0.015 11.889 -2.005 1.00 0.00 C -ATOM 537 O VAL A 31 1.063 12.424 -2.299 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.992 11.887 -3.599 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -1.563 13.255 -4.091 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -2.686 11.126 -4.715 1.00 0.00 C -ATOM 541 H VAL A 31 -2.190 9.609 -2.450 1.00 0.00 H -ATOM 542 HA VAL A 31 -0.115 10.861 -3.877 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.705 12.021 -2.798 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -1.104 13.796 -3.276 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -2.436 13.793 -4.431 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -0.857 13.146 -4.901 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -3.048 10.190 -4.315 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -1.985 10.935 -5.514 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -3.518 11.705 -5.088 1.00 0.00 H -ATOM 550 N GLU A 32 -0.536 11.965 -0.789 1.00 0.00 N -ATOM 551 CA GLU A 32 0.149 12.692 0.267 1.00 0.00 C -ATOM 552 C GLU A 32 1.441 11.980 0.704 1.00 0.00 C -ATOM 553 O GLU A 32 2.515 12.606 0.800 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.776 12.973 1.467 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.434 11.743 2.041 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.165 11.989 3.329 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -3.355 12.350 3.309 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -1.578 11.767 4.401 1.00 0.00 O -ATOM 559 H GLU A 32 -1.404 11.545 -0.600 1.00 0.00 H -ATOM 560 HA GLU A 32 0.444 13.636 -0.167 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.211 13.446 2.256 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.554 13.642 1.131 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -2.146 11.396 1.309 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.682 10.982 2.197 1.00 0.00 H -ATOM 565 N VAL A 33 1.355 10.664 0.863 1.00 0.00 N -ATOM 566 CA VAL A 33 2.448 9.864 1.385 1.00 0.00 C -ATOM 567 C VAL A 33 3.689 9.902 0.481 1.00 0.00 C -ATOM 568 O VAL A 33 4.787 9.791 0.958 1.00 0.00 O -ATOM 569 CB VAL A 33 2.034 8.407 1.752 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.037 7.456 0.557 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.872 7.888 2.903 1.00 0.00 C -ATOM 572 H VAL A 33 0.517 10.204 0.629 1.00 0.00 H -ATOM 573 HA VAL A 33 2.740 10.368 2.295 1.00 0.00 H -ATOM 574 HB VAL A 33 1.011 8.459 2.094 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.706 6.476 0.865 1.00 0.00 H -ATOM 576 HG12 VAL A 33 3.039 7.387 0.159 1.00 0.00 H -ATOM 577 HG13 VAL A 33 1.378 7.842 -0.207 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.613 6.860 3.108 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.680 8.486 3.783 1.00 0.00 H -ATOM 580 HG23 VAL A 33 3.914 7.958 2.640 1.00 0.00 H -ATOM 581 N LEU A 34 3.488 10.074 -0.824 1.00 0.00 N -ATOM 582 CA LEU A 34 4.574 10.090 -1.822 1.00 0.00 C -ATOM 583 C LEU A 34 5.694 11.084 -1.508 1.00 0.00 C -ATOM 584 O LEU A 34 6.824 10.897 -1.978 1.00 0.00 O -ATOM 585 CB LEU A 34 4.041 10.350 -3.236 1.00 0.00 C -ATOM 586 CG LEU A 34 3.208 9.238 -3.869 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.706 9.662 -5.235 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.019 7.957 -3.977 1.00 0.00 C -ATOM 589 H LEU A 34 2.566 10.177 -1.140 1.00 0.00 H -ATOM 590 HA LEU A 34 5.015 9.103 -1.815 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.430 11.241 -3.198 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.883 10.548 -3.882 1.00 0.00 H -ATOM 593 HG LEU A 34 2.349 9.043 -3.243 1.00 0.00 H -ATOM 594 HD11 LEU A 34 3.546 9.871 -5.880 1.00 0.00 H -ATOM 595 HD12 LEU A 34 2.102 10.552 -5.138 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.110 8.870 -5.663 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.928 8.153 -4.527 1.00 0.00 H -ATOM 598 HD22 LEU A 34 3.444 7.219 -4.516 1.00 0.00 H -ATOM 599 HD23 LEU A 34 4.260 7.579 -2.994 1.00 0.00 H -ATOM 600 N GLU A 35 5.404 12.144 -0.754 1.00 0.00 N -ATOM 601 CA GLU A 35 6.454 13.096 -0.425 1.00 0.00 C -ATOM 602 C GLU A 35 7.406 12.528 0.654 1.00 0.00 C -ATOM 603 O GLU A 35 8.583 12.916 0.737 1.00 0.00 O -ATOM 604 CB GLU A 35 5.903 14.477 -0.021 1.00 0.00 C -ATOM 605 CG GLU A 35 5.112 14.532 1.273 1.00 0.00 C -ATOM 606 CD GLU A 35 4.695 15.945 1.609 1.00 0.00 C -ATOM 607 OE1 GLU A 35 5.577 16.798 1.831 1.00 0.00 O -ATOM 608 OE2 GLU A 35 3.489 16.247 1.617 1.00 0.00 O -ATOM 609 H GLU A 35 4.488 12.266 -0.416 1.00 0.00 H -ATOM 610 HA GLU A 35 7.041 13.201 -1.326 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.732 15.161 0.090 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.273 14.841 -0.818 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.227 13.919 1.172 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.727 14.149 2.075 1.00 0.00 H -ATOM 615 N SER A 36 6.906 11.609 1.460 1.00 0.00 N -ATOM 616 CA SER A 36 7.687 10.959 2.508 1.00 0.00 C -ATOM 617 C SER A 36 7.086 9.575 2.807 1.00 0.00 C -ATOM 618 O SER A 36 6.378 9.408 3.778 1.00 0.00 O -ATOM 619 CB SER A 36 7.673 11.795 3.796 1.00 0.00 C -ATOM 620 OG SER A 36 8.052 13.142 3.552 1.00 0.00 O -ATOM 621 H SER A 36 5.976 11.310 1.341 1.00 0.00 H -ATOM 622 HA SER A 36 8.704 10.843 2.163 1.00 0.00 H -ATOM 623 HB2 SER A 36 6.675 11.789 4.211 1.00 0.00 H -ATOM 624 HB3 SER A 36 8.360 11.363 4.509 1.00 0.00 H -ATOM 625 HG SER A 36 8.331 13.190 2.630 1.00 0.00 H -ATOM 626 N PRO A 37 7.277 8.583 1.928 1.00 0.00 N -ATOM 627 CA PRO A 37 6.697 7.255 2.135 1.00 0.00 C -ATOM 628 C PRO A 37 7.504 6.384 3.096 1.00 0.00 C -ATOM 629 O PRO A 37 7.059 5.324 3.506 1.00 0.00 O -ATOM 630 CB PRO A 37 6.688 6.669 0.731 1.00 0.00 C -ATOM 631 CG PRO A 37 7.874 7.282 0.078 1.00 0.00 C -ATOM 632 CD PRO A 37 7.970 8.682 0.625 1.00 0.00 C -ATOM 633 HA PRO A 37 5.687 7.317 2.506 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.756 5.594 0.781 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.776 6.950 0.226 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.760 6.717 0.328 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.737 7.306 -0.993 1.00 0.00 H -ATOM 638 HD2 PRO A 37 8.998 8.989 0.748 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.435 9.365 -0.020 1.00 0.00 H -ATOM 640 N ARG A 38 8.663 6.866 3.485 1.00 0.00 N -ATOM 641 CA ARG A 38 9.558 6.133 4.365 1.00 0.00 C -ATOM 642 C ARG A 38 9.289 6.441 5.853 1.00 0.00 C -ATOM 643 O ARG A 38 10.184 6.443 6.674 1.00 0.00 O -ATOM 644 CB ARG A 38 11.044 6.360 3.931 1.00 0.00 C -ATOM 645 CG ARG A 38 11.520 7.824 3.783 1.00 0.00 C -ATOM 646 CD ARG A 38 11.787 8.508 5.118 1.00 0.00 C -ATOM 647 NE ARG A 38 12.830 7.802 5.897 1.00 0.00 N -ATOM 648 CZ ARG A 38 12.938 7.819 7.241 1.00 0.00 C -ATOM 649 NH1 ARG A 38 12.096 8.539 7.979 1.00 0.00 N -ATOM 650 NH2 ARG A 38 13.889 7.107 7.838 1.00 0.00 N -ATOM 651 H ARG A 38 8.910 7.758 3.166 1.00 0.00 H -ATOM 652 HA ARG A 38 9.318 5.089 4.220 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.683 5.891 4.665 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.198 5.859 2.986 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.428 7.839 3.200 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.757 8.374 3.251 1.00 0.00 H -ATOM 657 HD2 ARG A 38 12.102 9.523 4.931 1.00 0.00 H -ATOM 658 HD3 ARG A 38 10.867 8.517 5.686 1.00 0.00 H -ATOM 659 HE ARG A 38 13.466 7.275 5.363 1.00 0.00 H -ATOM 660 HH11 ARG A 38 11.357 9.086 7.576 1.00 0.00 H -ATOM 661 HH12 ARG A 38 12.170 8.557 8.978 1.00 0.00 H -ATOM 662 HH21 ARG A 38 14.549 6.550 7.330 1.00 0.00 H -ATOM 663 HH22 ARG A 38 13.986 7.070 8.838 1.00 0.00 H -ATOM 664 N ILE A 39 8.033 6.576 6.200 1.00 0.00 N -ATOM 665 CA ILE A 39 7.657 6.914 7.561 1.00 0.00 C -ATOM 666 C ILE A 39 7.675 5.650 8.410 1.00 0.00 C -ATOM 667 O ILE A 39 6.815 4.776 8.271 1.00 0.00 O -ATOM 668 CB ILE A 39 6.251 7.581 7.613 1.00 0.00 C -ATOM 669 CG1 ILE A 39 6.276 8.892 6.827 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.810 7.833 9.055 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.942 9.606 6.740 1.00 0.00 C -ATOM 672 H ILE A 39 7.348 6.409 5.519 1.00 0.00 H -ATOM 673 HA ILE A 39 8.393 7.604 7.943 1.00 0.00 H -ATOM 674 HB ILE A 39 5.539 6.915 7.148 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.970 9.566 7.307 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.616 8.694 5.821 1.00 0.00 H -ATOM 677 HG21 ILE A 39 4.817 8.259 9.061 1.00 0.00 H -ATOM 678 HG22 ILE A 39 6.496 8.532 9.507 1.00 0.00 H -ATOM 679 HG23 ILE A 39 5.815 6.906 9.610 1.00 0.00 H -ATOM 680 HD11 ILE A 39 4.590 9.838 7.735 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.228 8.969 6.239 1.00 0.00 H -ATOM 682 HD13 ILE A 39 5.064 10.519 6.177 1.00 0.00 H -ATOM 683 N GLU A 40 8.664 5.569 9.291 1.00 0.00 N -ATOM 684 CA GLU A 40 8.912 4.378 10.098 1.00 0.00 C -ATOM 685 C GLU A 40 7.752 4.015 11.018 1.00 0.00 C -ATOM 686 O GLU A 40 7.574 2.848 11.359 1.00 0.00 O -ATOM 687 CB GLU A 40 10.216 4.486 10.879 1.00 0.00 C -ATOM 688 CG GLU A 40 10.296 5.668 11.817 1.00 0.00 C -ATOM 689 CD GLU A 40 11.563 5.650 12.606 1.00 0.00 C -ATOM 690 OE1 GLU A 40 12.590 6.131 12.104 1.00 0.00 O -ATOM 691 OE2 GLU A 40 11.563 5.121 13.731 1.00 0.00 O -ATOM 692 H GLU A 40 9.258 6.346 9.389 1.00 0.00 H -ATOM 693 HA GLU A 40 9.021 3.576 9.387 1.00 0.00 H -ATOM 694 HB2 GLU A 40 10.339 3.588 11.466 1.00 0.00 H -ATOM 695 HB3 GLU A 40 11.034 4.554 10.176 1.00 0.00 H -ATOM 696 HG2 GLU A 40 10.263 6.577 11.235 1.00 0.00 H -ATOM 697 HG3 GLU A 40 9.457 5.638 12.496 1.00 0.00 H -ATOM 698 N ALA A 41 6.935 5.000 11.370 1.00 0.00 N -ATOM 699 CA ALA A 41 5.766 4.773 12.225 1.00 0.00 C -ATOM 700 C ALA A 41 4.690 3.969 11.489 1.00 0.00 C -ATOM 701 O ALA A 41 3.699 3.550 12.078 1.00 0.00 O -ATOM 702 CB ALA A 41 5.189 6.095 12.702 1.00 0.00 C -ATOM 703 H ALA A 41 7.136 5.907 11.058 1.00 0.00 H -ATOM 704 HA ALA A 41 6.093 4.209 13.086 1.00 0.00 H -ATOM 705 HB1 ALA A 41 4.354 5.908 13.361 1.00 0.00 H -ATOM 706 HB2 ALA A 41 4.854 6.667 11.850 1.00 0.00 H -ATOM 707 HB3 ALA A 41 5.948 6.650 13.233 1.00 0.00 H -ATOM 708 N ASN A 42 4.895 3.763 10.203 1.00 0.00 N -ATOM 709 CA ASN A 42 3.964 3.008 9.394 1.00 0.00 C -ATOM 710 C ASN A 42 4.548 1.666 9.011 1.00 0.00 C -ATOM 711 O ASN A 42 3.923 0.924 8.274 1.00 0.00 O -ATOM 712 CB ASN A 42 3.603 3.763 8.101 1.00 0.00 C -ATOM 713 CG ASN A 42 2.889 5.074 8.317 1.00 0.00 C -ATOM 714 OD1 ASN A 42 2.144 5.255 9.279 1.00 0.00 O -ATOM 715 ND2 ASN A 42 3.115 6.004 7.432 1.00 0.00 N -ATOM 716 H ASN A 42 5.700 4.132 9.778 1.00 0.00 H -ATOM 717 HA ASN A 42 3.060 2.858 9.964 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.510 3.975 7.556 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.974 3.126 7.499 1.00 0.00 H -ATOM 720 HD21 ASN A 42 3.727 5.793 6.697 1.00 0.00 H -ATOM 721 HD22 ASN A 42 2.674 6.875 7.523 1.00 0.00 H -ATOM 722 N LYS A 43 5.740 1.340 9.507 1.00 0.00 N -ATOM 723 CA LYS A 43 6.391 0.085 9.114 1.00 0.00 C -ATOM 724 C LYS A 43 5.739 -1.138 9.679 1.00 0.00 C -ATOM 725 O LYS A 43 5.264 -1.151 10.815 1.00 0.00 O -ATOM 726 CB LYS A 43 7.880 0.023 9.476 1.00 0.00 C -ATOM 727 CG LYS A 43 8.782 0.849 8.601 1.00 0.00 C -ATOM 728 CD LYS A 43 10.274 0.699 8.948 1.00 0.00 C -ATOM 729 CE LYS A 43 10.895 -0.664 8.532 1.00 0.00 C -ATOM 730 NZ LYS A 43 10.456 -1.841 9.348 1.00 0.00 N -ATOM 731 H LYS A 43 6.174 1.928 10.164 1.00 0.00 H -ATOM 732 HA LYS A 43 6.320 0.028 8.038 1.00 0.00 H -ATOM 733 HB2 LYS A 43 7.999 0.366 10.493 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.199 -1.007 9.423 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.638 0.530 7.579 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.491 1.883 8.690 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.820 1.482 8.444 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.391 0.829 10.014 1.00 0.00 H -ATOM 739 HE2 LYS A 43 10.631 -0.858 7.503 1.00 0.00 H -ATOM 740 HE3 LYS A 43 11.968 -0.571 8.598 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 10.598 -1.665 10.364 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 11.064 -2.657 9.114 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 9.479 -2.150 9.182 1.00 0.00 H -ATOM 744 N LEU A 44 5.716 -2.155 8.863 1.00 0.00 N -ATOM 745 CA LEU A 44 5.367 -3.466 9.295 1.00 0.00 C -ATOM 746 C LEU A 44 6.627 -4.059 9.853 1.00 0.00 C -ATOM 747 O LEU A 44 7.680 -4.042 9.187 1.00 0.00 O -ATOM 748 CB LEU A 44 4.880 -4.327 8.131 1.00 0.00 C -ATOM 749 CG LEU A 44 3.593 -3.896 7.442 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.301 -4.830 6.291 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.438 -3.912 8.420 1.00 0.00 C -ATOM 752 H LEU A 44 5.957 -2.009 7.921 1.00 0.00 H -ATOM 753 HA LEU A 44 4.614 -3.407 10.065 1.00 0.00 H -ATOM 754 HB2 LEU A 44 5.662 -4.344 7.386 1.00 0.00 H -ATOM 755 HB3 LEU A 44 4.743 -5.332 8.500 1.00 0.00 H -ATOM 756 HG LEU A 44 3.704 -2.894 7.055 1.00 0.00 H -ATOM 757 HD11 LEU A 44 4.104 -4.777 5.572 1.00 0.00 H -ATOM 758 HD12 LEU A 44 2.369 -4.544 5.823 1.00 0.00 H -ATOM 759 HD13 LEU A 44 3.220 -5.839 6.666 1.00 0.00 H -ATOM 760 HD21 LEU A 44 1.539 -3.582 7.921 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.663 -3.261 9.252 1.00 0.00 H -ATOM 762 HD23 LEU A 44 2.296 -4.919 8.785 1.00 0.00 H -ATOM 763 N ARG A 45 6.556 -4.523 11.045 1.00 0.00 N -ATOM 764 CA ARG A 45 7.692 -5.065 11.709 1.00 0.00 C -ATOM 765 C ARG A 45 7.842 -6.519 11.341 1.00 0.00 C -ATOM 766 O ARG A 45 6.984 -7.346 11.647 1.00 0.00 O -ATOM 767 CB ARG A 45 7.549 -4.844 13.197 1.00 0.00 C -ATOM 768 CG ARG A 45 7.590 -3.366 13.561 1.00 0.00 C -ATOM 769 CD ARG A 45 7.118 -3.118 14.970 1.00 0.00 C -ATOM 770 NE ARG A 45 5.703 -3.461 15.130 1.00 0.00 N -ATOM 771 CZ ARG A 45 5.028 -3.386 16.269 1.00 0.00 C -ATOM 772 NH1 ARG A 45 5.628 -2.949 17.367 1.00 0.00 N -ATOM 773 NH2 ARG A 45 3.748 -3.720 16.304 1.00 0.00 N -ATOM 774 H ARG A 45 5.693 -4.530 11.511 1.00 0.00 H -ATOM 775 HA ARG A 45 8.558 -4.528 11.355 1.00 0.00 H -ATOM 776 HB2 ARG A 45 6.608 -5.258 13.528 1.00 0.00 H -ATOM 777 HB3 ARG A 45 8.358 -5.345 13.702 1.00 0.00 H -ATOM 778 HG2 ARG A 45 8.606 -3.012 13.471 1.00 0.00 H -ATOM 779 HG3 ARG A 45 6.957 -2.823 12.874 1.00 0.00 H -ATOM 780 HD2 ARG A 45 7.705 -3.716 15.650 1.00 0.00 H -ATOM 781 HD3 ARG A 45 7.248 -2.072 15.204 1.00 0.00 H -ATOM 782 HE ARG A 45 5.257 -3.763 14.305 1.00 0.00 H -ATOM 783 HH11 ARG A 45 6.590 -2.669 17.374 1.00 0.00 H -ATOM 784 HH12 ARG A 45 5.143 -2.866 18.243 1.00 0.00 H -ATOM 785 HH21 ARG A 45 3.251 -4.030 15.489 1.00 0.00 H -ATOM 786 HH22 ARG A 45 3.213 -3.701 17.153 1.00 0.00 H -ATOM 787 N GLY A 46 8.910 -6.812 10.659 1.00 0.00 N -ATOM 788 CA GLY A 46 9.130 -8.133 10.140 1.00 0.00 C -ATOM 789 C GLY A 46 9.144 -8.088 8.635 1.00 0.00 C -ATOM 790 O GLY A 46 9.167 -9.118 7.959 1.00 0.00 O -ATOM 791 H GLY A 46 9.582 -6.113 10.497 1.00 0.00 H -ATOM 792 HA2 GLY A 46 10.075 -8.508 10.504 1.00 0.00 H -ATOM 793 HA3 GLY A 46 8.331 -8.784 10.463 1.00 0.00 H -ATOM 794 N MET A 47 9.093 -6.879 8.114 1.00 0.00 N -ATOM 795 CA MET A 47 9.145 -6.625 6.699 1.00 0.00 C -ATOM 796 C MET A 47 10.181 -5.539 6.488 1.00 0.00 C -ATOM 797 O MET A 47 10.224 -4.594 7.280 1.00 0.00 O -ATOM 798 CB MET A 47 7.779 -6.144 6.177 1.00 0.00 C -ATOM 799 CG MET A 47 6.621 -7.123 6.377 1.00 0.00 C -ATOM 800 SD MET A 47 6.845 -8.710 5.534 1.00 0.00 S -ATOM 801 CE MET A 47 6.898 -8.208 3.814 1.00 0.00 C -ATOM 802 H MET A 47 9.034 -6.098 8.705 1.00 0.00 H -ATOM 803 HA MET A 47 9.441 -7.532 6.196 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.529 -5.228 6.691 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.873 -5.934 5.121 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.514 -7.317 7.434 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.715 -6.663 6.010 1.00 0.00 H -ATOM 808 HE1 MET A 47 7.025 -9.081 3.190 1.00 0.00 H -ATOM 809 HE2 MET A 47 7.726 -7.534 3.657 1.00 0.00 H -ATOM 810 HE3 MET A 47 5.974 -7.713 3.557 1.00 0.00 H -ATOM 811 N PRO A 48 11.026 -5.650 5.433 1.00 0.00 N -ATOM 812 CA PRO A 48 12.124 -4.693 5.166 1.00 0.00 C -ATOM 813 C PRO A 48 11.649 -3.238 5.155 1.00 0.00 C -ATOM 814 O PRO A 48 11.909 -2.475 6.087 1.00 0.00 O -ATOM 815 CB PRO A 48 12.652 -5.115 3.778 1.00 0.00 C -ATOM 816 CG PRO A 48 11.622 -6.057 3.232 1.00 0.00 C -ATOM 817 CD PRO A 48 10.989 -6.714 4.420 1.00 0.00 C -ATOM 818 HA PRO A 48 12.909 -4.788 5.902 1.00 0.00 H -ATOM 819 HB2 PRO A 48 12.751 -4.240 3.155 1.00 0.00 H -ATOM 820 HB3 PRO A 48 13.614 -5.596 3.882 1.00 0.00 H -ATOM 821 HG2 PRO A 48 10.881 -5.501 2.677 1.00 0.00 H -ATOM 822 HG3 PRO A 48 12.092 -6.793 2.598 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.973 -7.000 4.192 1.00 0.00 H -ATOM 824 HD3 PRO A 48 11.560 -7.573 4.741 1.00 0.00 H -ATOM 825 N ASP A 49 10.926 -2.880 4.128 1.00 0.00 N -ATOM 826 CA ASP A 49 10.341 -1.568 4.018 1.00 0.00 C -ATOM 827 C ASP A 49 8.956 -1.688 3.499 1.00 0.00 C -ATOM 828 O ASP A 49 8.709 -1.543 2.304 1.00 0.00 O -ATOM 829 CB ASP A 49 11.143 -0.587 3.144 1.00 0.00 C -ATOM 830 CG ASP A 49 12.399 -0.066 3.790 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.306 0.768 4.715 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.506 -0.421 3.343 1.00 0.00 O -ATOM 833 H ASP A 49 10.774 -3.531 3.413 1.00 0.00 H -ATOM 834 HA ASP A 49 10.282 -1.173 5.021 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.422 -1.079 2.223 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.504 0.252 2.912 1.00 0.00 H -ATOM 837 N CYS A 50 8.067 -2.059 4.362 1.00 0.00 N -ATOM 838 CA CYS A 50 6.692 -2.148 4.023 1.00 0.00 C -ATOM 839 C CYS A 50 5.942 -1.346 5.028 1.00 0.00 C -ATOM 840 O CYS A 50 6.298 -1.346 6.216 1.00 0.00 O -ATOM 841 CB CYS A 50 6.240 -3.604 4.014 1.00 0.00 C -ATOM 842 SG CYS A 50 7.207 -4.641 2.892 1.00 0.00 S -ATOM 843 H CYS A 50 8.312 -2.263 5.288 1.00 0.00 H -ATOM 844 HA CYS A 50 6.551 -1.715 3.044 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.333 -4.011 5.011 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.207 -3.654 3.703 1.00 0.00 H -ATOM 847 HG CYS A 50 7.735 -3.796 2.017 1.00 0.00 H -ATOM 848 N TYR A 51 4.945 -0.664 4.580 1.00 0.00 N -ATOM 849 CA TYR A 51 4.220 0.247 5.410 1.00 0.00 C -ATOM 850 C TYR A 51 2.757 0.022 5.205 1.00 0.00 C -ATOM 851 O TYR A 51 2.348 -0.492 4.149 1.00 0.00 O -ATOM 852 CB TYR A 51 4.562 1.704 5.031 1.00 0.00 C -ATOM 853 CG TYR A 51 6.047 2.017 4.982 1.00 0.00 C -ATOM 854 CD1 TYR A 51 6.774 1.778 3.833 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.716 2.539 6.070 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.110 2.044 3.769 1.00 0.00 C -ATOM 857 CE2 TYR A 51 8.073 2.815 6.007 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.759 2.564 4.846 1.00 0.00 C -ATOM 859 OH TYR A 51 10.112 2.819 4.766 1.00 0.00 O -ATOM 860 H TYR A 51 4.656 -0.771 3.644 1.00 0.00 H -ATOM 861 HA TYR A 51 4.484 0.084 6.443 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.149 1.915 4.057 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.104 2.367 5.750 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.267 1.368 2.971 1.00 0.00 H -ATOM 865 HD2 TYR A 51 6.171 2.732 6.983 1.00 0.00 H -ATOM 866 HE1 TYR A 51 8.644 1.842 2.854 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.582 3.227 6.866 1.00 0.00 H -ATOM 868 HH TYR A 51 10.581 2.297 5.428 1.00 0.00 H -ATOM 869 N LYS A 52 1.977 0.376 6.183 1.00 0.00 N -ATOM 870 CA LYS A 52 0.560 0.250 6.070 1.00 0.00 C -ATOM 871 C LYS A 52 -0.103 1.572 6.376 1.00 0.00 C -ATOM 872 O LYS A 52 0.314 2.301 7.289 1.00 0.00 O -ATOM 873 CB LYS A 52 -0.029 -0.891 6.966 1.00 0.00 C -ATOM 874 CG LYS A 52 -0.033 -0.674 8.505 1.00 0.00 C -ATOM 875 CD LYS A 52 1.364 -0.561 9.097 1.00 0.00 C -ATOM 876 CE LYS A 52 1.346 -0.503 10.621 1.00 0.00 C -ATOM 877 NZ LYS A 52 0.587 0.659 11.140 1.00 0.00 N -ATOM 878 H LYS A 52 2.373 0.751 7.000 1.00 0.00 H -ATOM 879 HA LYS A 52 0.356 0.012 5.036 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -1.052 -1.059 6.665 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.530 -1.791 6.756 1.00 0.00 H -ATOM 882 HG2 LYS A 52 -0.565 0.240 8.722 1.00 0.00 H -ATOM 883 HG3 LYS A 52 -0.549 -1.503 8.968 1.00 0.00 H -ATOM 884 HD2 LYS A 52 1.951 -1.409 8.781 1.00 0.00 H -ATOM 885 HD3 LYS A 52 1.820 0.343 8.722 1.00 0.00 H -ATOM 886 HE2 LYS A 52 0.891 -1.408 10.996 1.00 0.00 H -ATOM 887 HE3 LYS A 52 2.365 -0.445 10.973 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 -0.406 0.631 10.839 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 0.999 1.566 10.843 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 0.600 0.643 12.180 1.00 0.00 H -ATOM 891 N ILE A 53 -1.106 1.877 5.618 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.896 3.055 5.830 1.00 0.00 C -ATOM 893 C ILE A 53 -3.231 2.594 6.349 1.00 0.00 C -ATOM 894 O ILE A 53 -3.726 1.555 5.927 1.00 0.00 O -ATOM 895 CB ILE A 53 -2.100 3.884 4.517 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.744 4.306 3.930 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -2.979 5.122 4.777 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.847 5.180 2.692 1.00 0.00 C -ATOM 899 H ILE A 53 -1.324 1.271 4.873 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.410 3.665 6.576 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.612 3.257 3.803 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.184 4.848 4.676 1.00 0.00 H -ATOM 903 HG13 ILE A 53 -0.192 3.417 3.664 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -2.503 5.762 5.505 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -3.940 4.810 5.156 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.118 5.666 3.855 1.00 0.00 H -ATOM 907 HD11 ILE A 53 0.137 5.497 2.381 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -1.436 6.050 2.932 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -1.323 4.629 1.893 1.00 0.00 H -ATOM 910 N LYS A 54 -3.789 3.332 7.256 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.041 2.992 7.852 1.00 0.00 C -ATOM 912 C LYS A 54 -6.031 4.070 7.509 1.00 0.00 C -ATOM 913 O LYS A 54 -5.734 5.268 7.644 1.00 0.00 O -ATOM 914 CB LYS A 54 -4.945 2.764 9.396 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.386 3.937 10.212 1.00 0.00 C -ATOM 916 CD LYS A 54 -2.872 4.072 10.077 1.00 0.00 C -ATOM 917 CE LYS A 54 -2.399 5.405 10.590 1.00 0.00 C -ATOM 918 NZ LYS A 54 -2.608 5.557 12.040 1.00 0.00 N -ATOM 919 H LYS A 54 -3.381 4.188 7.492 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.360 2.079 7.376 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.932 2.545 9.772 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.320 1.902 9.571 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.842 4.850 9.862 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -4.637 3.787 11.251 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -2.412 3.299 10.676 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -2.559 3.951 9.053 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -1.354 5.515 10.348 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -2.972 6.155 10.063 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -3.603 5.391 12.288 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -2.359 6.523 12.335 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -2.010 4.889 12.566 1.00 0.00 H -ATOM 932 N LEU A 55 -7.155 3.669 7.016 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.156 4.598 6.602 1.00 0.00 C -ATOM 934 C LEU A 55 -8.946 5.054 7.819 1.00 0.00 C -ATOM 935 O LEU A 55 -9.189 4.261 8.736 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.066 3.945 5.561 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.862 4.893 4.676 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -8.913 5.766 3.890 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -10.759 4.115 3.739 1.00 0.00 C -ATOM 940 H LEU A 55 -7.322 2.706 6.917 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.659 5.448 6.161 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.454 3.324 4.925 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.765 3.308 6.083 1.00 0.00 H -ATOM 944 HG LEU A 55 -10.479 5.547 5.273 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -9.492 6.386 3.226 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -8.244 5.148 3.311 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -8.345 6.397 4.556 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.447 3.513 4.314 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -10.157 3.473 3.113 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -11.316 4.801 3.118 1.00 0.00 H -ATOM 951 N ARG A 56 -9.337 6.320 7.833 1.00 0.00 N -ATOM 952 CA ARG A 56 -10.042 6.895 8.972 1.00 0.00 C -ATOM 953 C ARG A 56 -11.463 6.375 8.995 1.00 0.00 C -ATOM 954 O ARG A 56 -12.034 6.125 10.057 1.00 0.00 O -ATOM 955 CB ARG A 56 -10.043 8.426 8.890 1.00 0.00 C -ATOM 956 CG ARG A 56 -8.657 9.045 8.779 1.00 0.00 C -ATOM 957 CD ARG A 56 -7.845 8.877 10.055 1.00 0.00 C -ATOM 958 NE ARG A 56 -8.367 9.707 11.153 1.00 0.00 N -ATOM 959 CZ ARG A 56 -7.659 10.090 12.226 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -6.445 9.584 12.448 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -8.179 10.954 13.087 1.00 0.00 N -ATOM 962 H ARG A 56 -9.171 6.875 7.041 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.541 6.584 9.876 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -10.634 8.745 8.045 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -10.505 8.805 9.790 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -8.125 8.569 7.967 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -8.764 10.099 8.567 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -7.870 7.840 10.354 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -6.825 9.167 9.853 1.00 0.00 H -ATOM 970 HE ARG A 56 -9.291 10.030 11.034 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -6.036 8.911 11.832 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -5.875 9.877 13.224 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -9.100 11.335 12.960 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -7.671 11.299 13.884 1.00 0.00 H -ATOM 975 N SER A 57 -12.019 6.215 7.827 1.00 0.00 N -ATOM 976 CA SER A 57 -13.333 5.681 7.675 1.00 0.00 C -ATOM 977 C SER A 57 -13.245 4.196 7.302 1.00 0.00 C -ATOM 978 O SER A 57 -12.238 3.756 6.729 1.00 0.00 O -ATOM 979 CB SER A 57 -14.073 6.472 6.595 1.00 0.00 C -ATOM 980 OG SER A 57 -14.104 7.866 6.922 1.00 0.00 O -ATOM 981 H SER A 57 -11.519 6.469 7.021 1.00 0.00 H -ATOM 982 HA SER A 57 -13.858 5.789 8.611 1.00 0.00 H -ATOM 983 HB2 SER A 57 -13.567 6.346 5.650 1.00 0.00 H -ATOM 984 HB3 SER A 57 -15.087 6.109 6.516 1.00 0.00 H -ATOM 985 HG SER A 57 -14.286 7.904 7.871 1.00 0.00 H -ATOM 986 N SER A 58 -14.251 3.424 7.705 1.00 0.00 N -ATOM 987 CA SER A 58 -14.403 2.000 7.366 1.00 0.00 C -ATOM 988 C SER A 58 -13.395 1.050 8.084 1.00 0.00 C -ATOM 989 O SER A 58 -13.786 -0.010 8.582 1.00 0.00 O -ATOM 990 CB SER A 58 -14.390 1.807 5.844 1.00 0.00 C -ATOM 991 OG SER A 58 -15.371 2.636 5.233 1.00 0.00 O -ATOM 992 H SER A 58 -14.948 3.820 8.271 1.00 0.00 H -ATOM 993 HA SER A 58 -15.384 1.724 7.722 1.00 0.00 H -ATOM 994 HB2 SER A 58 -13.418 2.077 5.458 1.00 0.00 H -ATOM 995 HB3 SER A 58 -14.606 0.776 5.608 1.00 0.00 H -ATOM 996 HG SER A 58 -16.172 2.576 5.769 1.00 0.00 H -ATOM 997 N GLY A 59 -12.132 1.423 8.147 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.147 0.583 8.812 1.00 0.00 C -ATOM 999 C GLY A 59 -10.363 -0.284 7.842 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.014 -1.434 8.144 1.00 0.00 O -ATOM 1001 H GLY A 59 -11.878 2.286 7.747 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.455 1.211 9.354 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.661 -0.059 9.510 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.102 0.248 6.679 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.315 -0.453 5.691 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.865 -0.064 5.809 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.541 1.002 6.331 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.834 -0.210 4.272 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.081 -0.997 3.921 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.325 -0.648 4.422 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.005 -2.087 3.068 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.456 -1.366 4.085 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.128 -2.811 2.727 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.350 -2.446 3.239 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.477 -3.163 2.897 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.424 1.151 6.483 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.396 -1.507 5.916 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.065 0.839 4.159 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.060 -0.474 3.565 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.400 0.197 5.088 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.042 -2.371 2.671 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.418 -1.082 4.485 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.047 -3.659 2.064 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.165 -2.518 2.697 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.006 -0.930 5.356 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.587 -0.719 5.410 1.00 0.00 C -ATOM 1027 C ARG A 61 -4.998 -0.971 4.030 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.537 -1.761 3.246 1.00 0.00 O -ATOM 1029 CB ARG A 61 -4.877 -1.656 6.423 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.200 -1.493 7.928 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.601 -1.970 8.310 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.720 -2.178 9.758 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -7.526 -3.090 10.325 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -8.637 -3.483 9.694 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.291 -3.500 11.570 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.319 -1.752 4.914 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.408 0.309 5.692 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.131 -2.671 6.155 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -3.812 -1.537 6.292 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.482 -2.064 8.498 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -5.099 -0.449 8.186 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -7.323 -1.231 7.997 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.802 -2.904 7.805 1.00 0.00 H -ATOM 1044 HE ARG A 61 -6.046 -1.683 10.280 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -8.895 -3.093 8.806 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -9.254 -4.173 10.085 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -6.531 -3.128 12.108 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -7.809 -4.244 12.016 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.927 -0.318 3.736 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.244 -0.496 2.483 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.784 -0.773 2.794 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.189 -0.063 3.596 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.450 0.761 1.602 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.917 0.733 0.155 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.593 1.807 -0.658 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.428 0.975 0.118 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.568 0.319 4.394 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.663 -1.361 1.992 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.512 0.957 1.556 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -2.985 1.590 2.114 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.123 -0.227 -0.295 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -4.655 1.613 -0.686 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.185 1.794 -1.659 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.411 2.767 -0.200 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -0.923 0.201 0.675 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.225 1.937 0.567 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.085 0.972 -0.907 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.228 -1.807 2.185 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.135 -2.230 2.460 1.00 0.00 C -ATOM 1070 C VAL A 63 0.999 -2.132 1.208 1.00 0.00 C -ATOM 1071 O VAL A 63 0.681 -2.723 0.153 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.170 -3.680 3.018 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.599 -4.159 3.254 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.630 -3.770 4.304 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.720 -2.308 1.496 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.534 -1.564 3.212 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.291 -4.331 2.289 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 1.579 -5.154 3.675 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.097 -3.490 3.941 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 2.133 -4.178 2.315 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -1.666 -3.535 4.111 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.231 -3.067 5.021 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -0.550 -4.769 4.702 1.00 0.00 H -ATOM 1084 N TYR A 64 2.076 -1.408 1.321 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.974 -1.196 0.219 1.00 0.00 C -ATOM 1086 C TYR A 64 4.415 -1.305 0.666 1.00 0.00 C -ATOM 1087 O TYR A 64 4.711 -1.192 1.858 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.716 0.173 -0.458 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.826 1.397 0.441 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.035 1.797 1.005 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.715 2.150 0.711 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.110 2.906 1.809 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.780 3.255 1.510 1.00 0.00 C -ATOM 1094 CZ TYR A 64 2.980 3.632 2.061 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.044 4.730 2.875 1.00 0.00 O -ATOM 1096 H TYR A 64 2.290 -1.008 2.196 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.785 -1.973 -0.507 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.391 0.314 -1.286 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.709 0.157 -0.849 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.925 1.219 0.802 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.773 1.852 0.278 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.055 3.204 2.240 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.877 3.819 1.686 1.00 0.00 H -ATOM 1104 HH TYR A 64 3.840 5.221 2.657 1.00 0.00 H -ATOM 1105 N GLN A 65 5.286 -1.556 -0.264 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.701 -1.548 -0.008 1.00 0.00 C -ATOM 1107 C GLN A 65 7.306 -0.383 -0.745 1.00 0.00 C -ATOM 1108 O GLN A 65 6.871 -0.060 -1.853 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.391 -2.849 -0.450 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.221 -3.185 -1.929 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.110 -4.320 -2.403 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.740 -5.082 -3.288 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.313 -4.403 -1.881 1.00 0.00 N -ATOM 1114 H GLN A 65 4.971 -1.719 -1.185 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.851 -1.399 1.051 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.445 -2.756 -0.241 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.992 -3.665 0.135 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.191 -3.458 -2.108 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.456 -2.299 -2.501 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.601 -3.745 -1.215 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.896 -5.125 -2.201 1.00 0.00 H -ATOM 1122 N VAL A 66 8.249 0.280 -0.160 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.883 1.341 -0.876 1.00 0.00 C -ATOM 1124 C VAL A 66 10.196 0.849 -1.391 1.00 0.00 C -ATOM 1125 O VAL A 66 11.005 0.280 -0.654 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.051 2.680 -0.077 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 7.739 3.142 0.512 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 10.163 2.633 0.975 1.00 0.00 C -ATOM 1129 H VAL A 66 8.557 0.031 0.739 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.258 1.523 -1.739 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.315 3.427 -0.814 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 7.912 4.021 1.115 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 7.321 2.353 1.120 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 7.044 3.378 -0.280 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 10.119 3.510 1.604 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 11.112 2.628 0.458 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 10.090 1.734 1.564 1.00 0.00 H -ATOM 1138 N ILE A 67 10.371 0.950 -2.648 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.600 0.603 -3.211 1.00 0.00 C -ATOM 1140 C ILE A 67 12.329 1.900 -3.428 1.00 0.00 C -ATOM 1141 O ILE A 67 12.117 2.582 -4.431 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.432 -0.158 -4.546 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.447 -1.329 -4.368 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.783 -0.683 -5.002 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 10.127 -2.076 -5.646 1.00 0.00 C -ATOM 1146 H ILE A 67 9.658 1.293 -3.235 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.146 -0.006 -2.505 1.00 0.00 H -ATOM 1148 HB ILE A 67 11.045 0.519 -5.293 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.869 -2.040 -3.672 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.523 -0.948 -3.961 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 13.185 -1.349 -4.253 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 13.460 0.146 -5.147 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 12.662 -1.219 -5.932 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 9.436 -2.879 -5.432 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 11.039 -2.482 -6.058 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 9.681 -1.396 -6.357 1.00 0.00 H -ATOM 1157 N ASP A 68 13.153 2.263 -2.475 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.891 3.532 -2.516 1.00 0.00 C -ATOM 1159 C ASP A 68 14.962 3.458 -3.576 1.00 0.00 C -ATOM 1160 O ASP A 68 15.385 4.460 -4.143 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.485 3.849 -1.136 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.260 5.151 -1.088 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 14.649 6.237 -1.200 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 16.489 5.116 -0.883 1.00 0.00 O -ATOM 1165 H ASP A 68 13.274 1.660 -1.706 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.194 4.309 -2.794 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 13.683 3.915 -0.418 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.148 3.045 -0.851 1.00 0.00 H -ATOM 1169 N GLU A 69 15.342 2.235 -3.874 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.297 1.917 -4.916 1.00 0.00 C -ATOM 1171 C GLU A 69 15.750 2.348 -6.291 1.00 0.00 C -ATOM 1172 O GLU A 69 16.483 2.839 -7.133 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.547 0.412 -4.905 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.049 -0.115 -3.568 1.00 0.00 C -ATOM 1175 CD GLU A 69 17.131 -1.623 -3.515 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 18.084 -2.197 -4.070 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 16.259 -2.265 -2.867 1.00 0.00 O -ATOM 1178 H GLU A 69 14.970 1.508 -3.333 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.224 2.430 -4.709 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.621 -0.090 -5.138 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.277 0.173 -5.662 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 18.036 0.284 -3.386 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 16.381 0.224 -2.791 1.00 0.00 H -ATOM 1184 N LYS A 70 14.445 2.199 -6.481 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.808 2.538 -7.753 1.00 0.00 C -ATOM 1186 C LYS A 70 12.978 3.821 -7.640 1.00 0.00 C -ATOM 1187 O LYS A 70 12.428 4.300 -8.634 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.914 1.391 -8.224 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.634 0.099 -8.553 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.636 -0.986 -8.931 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.320 -2.301 -9.244 1.00 0.00 C -ATOM 1192 NZ LYS A 70 12.349 -3.364 -9.561 1.00 0.00 N -ATOM 1193 H LYS A 70 13.893 1.856 -5.749 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.589 2.690 -8.483 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.229 1.164 -7.420 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.352 1.706 -9.090 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.308 0.274 -9.380 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.196 -0.219 -7.688 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 11.953 -1.138 -8.108 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.082 -0.660 -9.800 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 13.978 -2.165 -10.090 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 13.904 -2.609 -8.391 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 12.834 -4.263 -9.752 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 11.774 -3.109 -10.387 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 11.690 -3.520 -8.769 1.00 0.00 H -ATOM 1206 N VAL A 71 12.891 4.365 -6.418 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.127 5.600 -6.115 1.00 0.00 C -ATOM 1208 C VAL A 71 10.602 5.359 -6.398 1.00 0.00 C -ATOM 1209 O VAL A 71 9.846 6.255 -6.774 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.696 6.845 -6.923 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 12.067 8.165 -6.471 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.216 6.929 -6.789 1.00 0.00 C -ATOM 1213 H VAL A 71 13.358 3.920 -5.681 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.236 5.773 -5.053 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.457 6.700 -7.967 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 12.269 8.322 -5.421 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 11.000 8.126 -6.630 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.488 8.979 -7.045 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.662 6.026 -7.177 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.477 7.042 -5.747 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.581 7.781 -7.344 1.00 0.00 H -ATOM 1222 N VAL A 72 10.155 4.148 -6.133 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.773 3.784 -6.385 1.00 0.00 C -ATOM 1224 C VAL A 72 8.168 3.078 -5.169 1.00 0.00 C -ATOM 1225 O VAL A 72 8.832 2.292 -4.486 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.625 2.897 -7.678 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.365 1.582 -7.553 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.163 2.651 -8.036 1.00 0.00 C -ATOM 1229 H VAL A 72 10.757 3.489 -5.725 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.216 4.700 -6.535 1.00 0.00 H -ATOM 1231 HB VAL A 72 9.083 3.440 -8.492 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 9.263 1.018 -8.468 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 8.954 1.020 -6.727 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 10.407 1.792 -7.367 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 7.107 2.048 -8.931 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.658 3.590 -8.199 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.684 2.126 -7.223 1.00 0.00 H -ATOM 1238 N VAL A 73 6.953 3.418 -4.882 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.180 2.826 -3.838 1.00 0.00 C -ATOM 1240 C VAL A 73 5.288 1.784 -4.489 1.00 0.00 C -ATOM 1241 O VAL A 73 4.433 2.118 -5.308 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.308 3.899 -3.143 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.472 3.304 -2.040 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.170 5.030 -2.607 1.00 0.00 C -ATOM 1245 H VAL A 73 6.511 4.111 -5.418 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.838 2.365 -3.118 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.644 4.313 -3.886 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 5.116 2.852 -1.300 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 3.816 2.554 -2.456 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.882 4.081 -1.578 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 6.683 5.503 -3.430 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 6.896 4.639 -1.910 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 5.545 5.757 -2.109 1.00 0.00 H -ATOM 1254 N PHE A 74 5.500 0.555 -4.153 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.808 -0.542 -4.773 1.00 0.00 C -ATOM 1256 C PHE A 74 3.763 -1.111 -3.823 1.00 0.00 C -ATOM 1257 O PHE A 74 4.103 -1.695 -2.787 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.847 -1.603 -5.171 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.309 -2.831 -5.846 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.903 -2.789 -7.164 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 5.233 -4.035 -5.165 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.430 -3.920 -7.790 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.766 -5.169 -5.786 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.364 -5.112 -7.102 1.00 0.00 C -ATOM 1265 H PHE A 74 6.140 0.356 -3.431 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.326 -0.180 -5.669 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.560 -1.156 -5.845 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.371 -1.914 -4.279 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 4.955 -1.857 -7.707 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.546 -4.081 -4.133 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.114 -3.874 -8.821 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.711 -6.102 -5.244 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.998 -5.999 -7.594 1.00 0.00 H -ATOM 1274 N VAL A 75 2.501 -0.905 -4.152 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.404 -1.422 -3.355 1.00 0.00 C -ATOM 1276 C VAL A 75 1.270 -2.907 -3.614 1.00 0.00 C -ATOM 1277 O VAL A 75 1.086 -3.337 -4.762 1.00 0.00 O -ATOM 1278 CB VAL A 75 0.059 -0.700 -3.662 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.081 -1.245 -2.794 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.202 0.804 -3.465 1.00 0.00 C -ATOM 1281 H VAL A 75 2.304 -0.389 -4.966 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.659 -1.280 -2.316 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.190 -0.883 -4.697 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.213 -2.299 -2.992 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -2.001 -0.723 -3.018 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -0.843 -1.107 -1.750 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 -0.741 1.285 -3.678 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 0.959 1.186 -4.134 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.489 1.009 -2.445 1.00 0.00 H -ATOM 1290 N ILE A 76 1.375 -3.681 -2.564 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.352 -5.116 -2.681 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.054 -5.632 -2.431 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.548 -6.507 -3.138 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.296 -5.764 -1.635 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.693 -5.138 -1.710 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.382 -7.277 -1.856 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.627 -5.606 -0.616 1.00 0.00 C -ATOM 1298 H ILE A 76 1.464 -3.272 -1.675 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.684 -5.399 -3.668 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.886 -5.590 -0.651 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.143 -5.387 -2.659 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.602 -4.064 -1.636 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 2.767 -7.474 -2.845 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 1.399 -7.709 -1.755 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 3.043 -7.705 -1.118 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 4.728 -6.680 -0.671 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.222 -5.329 0.347 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 5.593 -5.144 -0.747 1.00 0.00 H -ATOM 1309 N SER A 77 -0.705 -5.086 -1.434 1.00 0.00 N -ATOM 1310 CA SER A 77 -2.019 -5.532 -1.057 1.00 0.00 C -ATOM 1311 C SER A 77 -2.794 -4.388 -0.434 1.00 0.00 C -ATOM 1312 O SER A 77 -2.208 -3.452 0.115 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.912 -6.707 -0.073 1.00 0.00 C -ATOM 1314 OG SER A 77 -1.188 -7.784 -0.648 1.00 0.00 O -ATOM 1315 H SER A 77 -0.316 -4.345 -0.920 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.534 -5.867 -1.945 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.398 -6.381 0.819 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.902 -7.051 0.188 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.938 -7.523 -1.544 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.084 -4.458 -0.526 1.00 0.00 N -ATOM 1321 CA VAL A 78 -4.951 -3.444 -0.001 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.262 -4.102 0.427 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.727 -5.041 -0.228 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.182 -2.303 -1.053 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.816 -2.815 -2.333 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -5.985 -1.161 -0.473 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.506 -5.237 -0.942 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.471 -3.030 0.875 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.206 -1.922 -1.323 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -5.173 -3.559 -2.780 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.949 -1.995 -3.024 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -6.776 -3.256 -2.110 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.452 -0.754 0.373 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -6.958 -1.516 -0.167 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.091 -0.394 -1.226 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.808 -3.682 1.539 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.041 -4.248 2.007 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.097 -4.257 3.501 1.00 0.00 C -ATOM 1339 O GLY A 79 -7.705 -3.293 4.144 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.374 -2.980 2.080 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.873 -3.681 1.615 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.104 -5.266 1.656 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.569 -5.316 4.070 1.00 0.00 N -ATOM 1344 CA LYS A 80 -8.615 -5.398 5.500 1.00 0.00 C -ATOM 1345 C LYS A 80 -7.437 -6.200 6.019 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.483 -7.421 6.084 1.00 0.00 O -ATOM 1347 CB LYS A 80 -9.949 -5.969 5.991 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.158 -5.153 5.541 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.462 -5.665 6.141 1.00 0.00 C -ATOM 1350 CE LYS A 80 -12.760 -7.107 5.751 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -14.029 -7.583 6.334 1.00 0.00 N -ATOM 1352 H LYS A 80 -8.901 -6.064 3.528 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.512 -4.387 5.869 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.048 -6.972 5.608 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -9.940 -6.000 7.071 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.019 -4.126 5.842 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.222 -5.200 4.464 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -12.381 -5.610 7.216 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.273 -5.032 5.811 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -12.821 -7.173 4.675 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -11.955 -7.733 6.103 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -14.201 -8.582 6.107 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -14.845 -7.036 6.000 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -14.016 -7.505 7.372 1.00 0.00 H -ATOM 1365 N ALA A 81 -6.367 -5.507 6.313 1.00 0.00 N -ATOM 1366 CA ALA A 81 -5.181 -6.120 6.862 1.00 0.00 C -ATOM 1367 C ALA A 81 -5.318 -6.171 8.359 1.00 0.00 C -ATOM 1368 O ALA A 81 -5.554 -5.144 8.988 1.00 0.00 O -ATOM 1369 CB ALA A 81 -3.955 -5.309 6.488 1.00 0.00 C -ATOM 1370 H ALA A 81 -6.376 -4.542 6.155 1.00 0.00 H -ATOM 1371 HA ALA A 81 -5.081 -7.118 6.465 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -3.883 -5.235 5.413 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -3.073 -5.798 6.873 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -4.030 -4.319 6.913 1.00 0.00 H -ATOM 1375 N GLU A 82 -5.180 -7.326 8.932 1.00 0.00 N -ATOM 1376 CA GLU A 82 -5.344 -7.449 10.358 1.00 0.00 C -ATOM 1377 C GLU A 82 -4.231 -8.293 10.957 1.00 0.00 C -ATOM 1378 O GLU A 82 -3.721 -7.981 12.038 1.00 0.00 O -ATOM 1379 CB GLU A 82 -6.738 -8.020 10.686 1.00 0.00 C -ATOM 1380 CG GLU A 82 -7.085 -8.103 12.175 1.00 0.00 C -ATOM 1381 CD GLU A 82 -7.056 -6.760 12.890 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -7.970 -5.927 12.665 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -6.150 -6.534 13.722 1.00 0.00 O -ATOM 1384 H GLU A 82 -4.947 -8.121 8.396 1.00 0.00 H -ATOM 1385 HA GLU A 82 -5.272 -6.457 10.774 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -7.481 -7.401 10.206 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -6.799 -9.013 10.267 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -8.083 -8.504 12.268 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -6.386 -8.771 12.656 1.00 0.00 H -ATOM 1390 N ALA A 83 -3.811 -9.322 10.251 1.00 0.00 N -ATOM 1391 CA ALA A 83 -2.798 -10.195 10.791 1.00 0.00 C -ATOM 1392 C ALA A 83 -1.863 -10.773 9.730 1.00 0.00 C -ATOM 1393 O ALA A 83 -0.735 -10.304 9.574 1.00 0.00 O -ATOM 1394 CB ALA A 83 -3.419 -11.295 11.652 1.00 0.00 C -ATOM 1395 H ALA A 83 -4.158 -9.480 9.342 1.00 0.00 H -ATOM 1396 HA ALA A 83 -2.193 -9.582 11.446 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -4.046 -10.847 12.408 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -2.640 -11.877 12.121 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -4.018 -11.941 11.030 1.00 0.00 H -ATOM 1400 N SER A 84 -2.306 -11.764 8.985 1.00 0.00 N -ATOM 1401 CA SER A 84 -1.392 -12.439 8.084 1.00 0.00 C -ATOM 1402 C SER A 84 -1.770 -12.317 6.598 1.00 0.00 C -ATOM 1403 O SER A 84 -0.927 -12.558 5.745 1.00 0.00 O -ATOM 1404 CB SER A 84 -1.239 -13.919 8.506 1.00 0.00 C -ATOM 1405 OG SER A 84 -0.200 -14.575 7.787 1.00 0.00 O -ATOM 1406 H SER A 84 -3.237 -12.071 9.062 1.00 0.00 H -ATOM 1407 HA SER A 84 -0.428 -11.970 8.214 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -1.009 -13.970 9.559 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -2.169 -14.438 8.323 1.00 0.00 H -ATOM 1410 HG SER A 84 -0.469 -14.680 6.865 1.00 0.00 H -ATOM 1411 N GLU A 85 -2.982 -11.859 6.284 1.00 0.00 N -ATOM 1412 CA GLU A 85 -3.475 -11.848 4.898 1.00 0.00 C -ATOM 1413 C GLU A 85 -2.599 -11.047 3.940 1.00 0.00 C -ATOM 1414 O GLU A 85 -2.395 -11.442 2.784 1.00 0.00 O -ATOM 1415 CB GLU A 85 -4.951 -11.407 4.793 1.00 0.00 C -ATOM 1416 CG GLU A 85 -5.327 -10.080 5.455 1.00 0.00 C -ATOM 1417 CD GLU A 85 -5.301 -10.132 6.961 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -6.217 -10.718 7.561 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -4.357 -9.607 7.569 1.00 0.00 O -ATOM 1420 H GLU A 85 -3.578 -11.486 6.968 1.00 0.00 H -ATOM 1421 HA GLU A 85 -3.416 -12.873 4.563 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -5.156 -11.295 3.743 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -5.591 -12.185 5.176 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -4.611 -9.340 5.132 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -6.316 -9.794 5.128 1.00 0.00 H -ATOM 1426 N VAL A 86 -2.075 -9.946 4.412 1.00 0.00 N -ATOM 1427 CA VAL A 86 -1.219 -9.122 3.587 1.00 0.00 C -ATOM 1428 C VAL A 86 0.237 -9.589 3.651 1.00 0.00 C -ATOM 1429 O VAL A 86 0.962 -9.496 2.674 1.00 0.00 O -ATOM 1430 CB VAL A 86 -1.341 -7.616 3.937 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -2.743 -7.119 3.614 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -1.014 -7.373 5.411 1.00 0.00 C -ATOM 1433 H VAL A 86 -2.293 -9.691 5.332 1.00 0.00 H -ATOM 1434 HA VAL A 86 -1.557 -9.264 2.570 1.00 0.00 H -ATOM 1435 HB VAL A 86 -0.649 -7.055 3.326 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -3.466 -7.653 4.213 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -2.954 -7.288 2.568 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -2.808 -6.064 3.825 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -1.660 -7.984 6.024 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -1.186 -6.337 5.660 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 0.017 -7.632 5.602 1.00 0.00 H -ATOM 1442 N TYR A 87 0.636 -10.144 4.792 1.00 0.00 N -ATOM 1443 CA TYR A 87 2.001 -10.639 4.982 1.00 0.00 C -ATOM 1444 C TYR A 87 2.256 -11.837 4.110 1.00 0.00 C -ATOM 1445 O TYR A 87 3.266 -11.903 3.416 1.00 0.00 O -ATOM 1446 CB TYR A 87 2.268 -11.019 6.440 1.00 0.00 C -ATOM 1447 CG TYR A 87 2.523 -9.866 7.381 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 1.506 -9.017 7.782 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 3.797 -9.645 7.885 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 1.751 -7.980 8.655 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 4.049 -8.617 8.762 1.00 0.00 C -ATOM 1452 CZ TYR A 87 3.026 -7.788 9.143 1.00 0.00 C -ATOM 1453 OH TYR A 87 3.271 -6.775 10.030 1.00 0.00 O -ATOM 1454 H TYR A 87 -0.014 -10.246 5.516 1.00 0.00 H -ATOM 1455 HA TYR A 87 2.680 -9.849 4.699 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 1.414 -11.560 6.819 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 3.128 -11.671 6.469 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 0.509 -9.174 7.395 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 4.601 -10.299 7.581 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 0.945 -7.325 8.953 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 5.048 -8.462 9.142 1.00 0.00 H -ATOM 1462 HH TYR A 87 2.612 -6.843 10.729 1.00 0.00 H -ATOM 1463 N SER A 88 1.323 -12.769 4.135 1.00 0.00 N -ATOM 1464 CA SER A 88 1.421 -13.985 3.374 1.00 0.00 C -ATOM 1465 C SER A 88 1.536 -13.695 1.883 1.00 0.00 C -ATOM 1466 O SER A 88 2.367 -14.288 1.191 1.00 0.00 O -ATOM 1467 CB SER A 88 0.215 -14.863 3.664 1.00 0.00 C -ATOM 1468 OG SER A 88 0.127 -15.168 5.061 1.00 0.00 O -ATOM 1469 H SER A 88 0.528 -12.654 4.703 1.00 0.00 H -ATOM 1470 HA SER A 88 2.309 -14.507 3.695 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -0.679 -14.336 3.367 1.00 0.00 H -ATOM 1472 HB3 SER A 88 0.292 -15.783 3.104 1.00 0.00 H -ATOM 1473 HG SER A 88 1.025 -15.146 5.420 1.00 0.00 H -ATOM 1474 N GLU A 89 0.761 -12.745 1.408 1.00 0.00 N -ATOM 1475 CA GLU A 89 0.779 -12.425 0.012 1.00 0.00 C -ATOM 1476 C GLU A 89 2.102 -11.744 -0.327 1.00 0.00 C -ATOM 1477 O GLU A 89 2.742 -12.080 -1.307 1.00 0.00 O -ATOM 1478 CB GLU A 89 -0.403 -11.529 -0.346 1.00 0.00 C -ATOM 1479 CG GLU A 89 -0.860 -11.678 -1.790 1.00 0.00 C -ATOM 1480 CD GLU A 89 -1.392 -13.075 -2.065 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -2.574 -13.346 -1.733 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -0.649 -13.933 -2.599 1.00 0.00 O -ATOM 1483 H GLU A 89 0.165 -12.254 2.010 1.00 0.00 H -ATOM 1484 HA GLU A 89 0.710 -13.347 -0.546 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -1.228 -11.776 0.304 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -0.121 -10.501 -0.181 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -1.641 -10.960 -1.991 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -0.020 -11.492 -2.442 1.00 0.00 H -ATOM 1489 N ALA A 90 2.536 -10.842 0.549 1.00 0.00 N -ATOM 1490 CA ALA A 90 3.775 -10.100 0.358 1.00 0.00 C -ATOM 1491 C ALA A 90 4.998 -11.016 0.344 1.00 0.00 C -ATOM 1492 O ALA A 90 5.826 -10.929 -0.565 1.00 0.00 O -ATOM 1493 CB ALA A 90 3.927 -9.022 1.419 1.00 0.00 C -ATOM 1494 H ALA A 90 2.000 -10.657 1.351 1.00 0.00 H -ATOM 1495 HA ALA A 90 3.713 -9.616 -0.605 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 4.033 -9.489 2.387 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 3.051 -8.391 1.419 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 4.804 -8.428 1.209 1.00 0.00 H -ATOM 1499 N VAL A 91 5.091 -11.920 1.320 1.00 0.00 N -ATOM 1500 CA VAL A 91 6.240 -12.819 1.419 1.00 0.00 C -ATOM 1501 C VAL A 91 6.311 -13.776 0.212 1.00 0.00 C -ATOM 1502 O VAL A 91 7.396 -14.160 -0.226 1.00 0.00 O -ATOM 1503 CB VAL A 91 6.290 -13.598 2.784 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 5.121 -14.553 2.959 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 7.611 -14.328 2.954 1.00 0.00 C -ATOM 1506 H VAL A 91 4.378 -11.962 1.997 1.00 0.00 H -ATOM 1507 HA VAL A 91 7.110 -12.182 1.354 1.00 0.00 H -ATOM 1508 HB VAL A 91 6.213 -12.864 3.573 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 5.199 -15.054 3.911 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 5.132 -15.282 2.163 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 4.199 -13.992 2.919 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 7.724 -15.033 2.143 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 7.613 -14.860 3.895 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 8.427 -13.621 2.935 1.00 0.00 H -ATOM 1515 N LYS A 92 5.164 -14.151 -0.323 1.00 0.00 N -ATOM 1516 CA LYS A 92 5.136 -14.969 -1.519 1.00 0.00 C -ATOM 1517 C LYS A 92 5.416 -14.136 -2.774 1.00 0.00 C -ATOM 1518 O LYS A 92 6.033 -14.624 -3.730 1.00 0.00 O -ATOM 1519 CB LYS A 92 3.811 -15.739 -1.663 1.00 0.00 C -ATOM 1520 CG LYS A 92 3.893 -17.238 -1.319 1.00 0.00 C -ATOM 1521 CD LYS A 92 4.173 -17.526 0.156 1.00 0.00 C -ATOM 1522 CE LYS A 92 2.989 -17.190 1.064 1.00 0.00 C -ATOM 1523 NZ LYS A 92 1.763 -17.958 0.729 1.00 0.00 N -ATOM 1524 H LYS A 92 4.320 -13.867 0.094 1.00 0.00 H -ATOM 1525 HA LYS A 92 5.938 -15.684 -1.419 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 3.080 -15.284 -1.011 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 3.468 -15.642 -2.682 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 2.956 -17.705 -1.579 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 4.681 -17.674 -1.917 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 4.401 -18.575 0.271 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 5.029 -16.943 0.464 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 3.264 -17.411 2.084 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 2.778 -16.134 0.981 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 1.019 -17.785 1.436 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 1.962 -18.979 0.740 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 1.392 -17.695 -0.207 1.00 0.00 H -ATOM 1537 N ARG A 93 4.993 -12.882 -2.750 1.00 0.00 N -ATOM 1538 CA ARG A 93 5.085 -12.005 -3.902 1.00 0.00 C -ATOM 1539 C ARG A 93 6.512 -11.542 -4.117 1.00 0.00 C -ATOM 1540 O ARG A 93 7.024 -11.572 -5.241 1.00 0.00 O -ATOM 1541 CB ARG A 93 4.169 -10.783 -3.722 1.00 0.00 C -ATOM 1542 CG ARG A 93 3.627 -10.204 -5.021 1.00 0.00 C -ATOM 1543 CD ARG A 93 2.667 -11.195 -5.659 1.00 0.00 C -ATOM 1544 NE ARG A 93 2.079 -10.721 -6.905 1.00 0.00 N -ATOM 1545 CZ ARG A 93 1.389 -11.490 -7.757 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 1.187 -12.784 -7.496 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 0.863 -10.954 -8.835 1.00 0.00 N -ATOM 1548 H ARG A 93 4.586 -12.529 -1.928 1.00 0.00 H -ATOM 1549 HA ARG A 93 4.769 -12.548 -4.775 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 3.330 -11.067 -3.103 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 4.723 -10.010 -3.211 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 3.105 -9.280 -4.816 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 4.448 -10.022 -5.698 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 3.193 -12.113 -5.868 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 1.872 -11.398 -4.958 1.00 0.00 H -ATOM 1556 HE ARG A 93 2.189 -9.757 -7.107 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 1.542 -13.207 -6.654 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 0.682 -13.398 -8.106 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 0.976 -9.967 -9.001 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 0.350 -11.479 -9.516 1.00 0.00 H -ATOM 1561 N ILE A 94 7.150 -11.134 -3.053 1.00 0.00 N -ATOM 1562 CA ILE A 94 8.496 -10.614 -3.122 1.00 0.00 C -ATOM 1563 C ILE A 94 9.498 -11.753 -3.036 1.00 0.00 C -ATOM 1564 O ILE A 94 9.959 -12.120 -1.943 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.764 -9.590 -1.996 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 7.663 -8.531 -1.993 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 10.132 -8.922 -2.197 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 7.675 -7.652 -0.775 1.00 0.00 C -ATOM 1569 H ILE A 94 6.709 -11.184 -2.175 1.00 0.00 H -ATOM 1570 HA ILE A 94 8.611 -10.119 -4.076 1.00 0.00 H -ATOM 1571 HB ILE A 94 8.759 -10.104 -1.046 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 7.783 -7.898 -2.858 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 6.702 -9.022 -2.042 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 10.908 -9.673 -2.180 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 10.306 -8.207 -1.407 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 10.146 -8.414 -3.150 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 7.515 -8.272 0.095 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 6.875 -6.932 -0.861 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 8.628 -7.149 -0.698 1.00 0.00 H -ATOM 1580 N LEU A 95 9.745 -12.355 -4.177 1.00 0.00 N -ATOM 1581 CA LEU A 95 10.690 -13.432 -4.342 1.00 0.00 C -ATOM 1582 C LEU A 95 10.680 -13.810 -5.811 1.00 0.00 C -ATOM 1583 O LEU A 95 10.176 -14.894 -6.174 1.00 0.00 O -ATOM 1584 CB LEU A 95 10.305 -14.650 -3.475 1.00 0.00 C -ATOM 1585 CG LEU A 95 11.324 -15.790 -3.404 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 12.642 -15.305 -2.820 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 10.769 -16.933 -2.585 1.00 0.00 C -ATOM 1588 OXT LEU A 95 11.079 -12.972 -6.631 1.00 0.00 O -ATOM 1589 H LEU A 95 9.263 -12.055 -4.978 1.00 0.00 H -ATOM 1590 HA LEU A 95 11.670 -13.072 -4.066 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 10.121 -14.299 -2.471 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 9.379 -15.050 -3.862 1.00 0.00 H -ATOM 1593 HG LEU A 95 11.516 -16.150 -4.402 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 13.066 -14.540 -3.454 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 13.332 -16.133 -2.748 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 12.465 -14.898 -1.836 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 9.878 -17.315 -3.058 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 10.526 -16.578 -1.593 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 11.505 -17.719 -2.519 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 13 -ATOM 1 N MET A 1 10.618 15.850 -1.574 1.00 0.00 N -ATOM 2 CA MET A 1 10.906 14.620 -2.298 1.00 0.00 C -ATOM 3 C MET A 1 9.592 13.959 -2.636 1.00 0.00 C -ATOM 4 O MET A 1 8.607 14.152 -1.924 1.00 0.00 O -ATOM 5 CB MET A 1 11.755 13.672 -1.430 1.00 0.00 C -ATOM 6 CG MET A 1 12.277 12.458 -2.178 1.00 0.00 C -ATOM 7 SD MET A 1 13.238 11.341 -1.149 1.00 0.00 S -ATOM 8 CE MET A 1 13.762 10.138 -2.373 1.00 0.00 C -ATOM 9 H MET A 1 10.054 16.492 -2.164 1.00 0.00 H -ATOM 10 HA MET A 1 11.432 14.854 -3.209 1.00 0.00 H -ATOM 11 HB2 MET A 1 12.602 14.208 -1.030 1.00 0.00 H -ATOM 12 HB3 MET A 1 11.145 13.321 -0.610 1.00 0.00 H -ATOM 13 HG2 MET A 1 11.437 11.913 -2.582 1.00 0.00 H -ATOM 14 HG3 MET A 1 12.899 12.805 -2.988 1.00 0.00 H -ATOM 15 HE1 MET A 1 14.355 10.624 -3.132 1.00 0.00 H -ATOM 16 HE2 MET A 1 12.893 9.688 -2.830 1.00 0.00 H -ATOM 17 HE3 MET A 1 14.351 9.374 -1.888 1.00 0.00 H -ATOM 18 N ALA A 2 9.550 13.235 -3.727 1.00 0.00 N -ATOM 19 CA ALA A 2 8.371 12.505 -4.116 1.00 0.00 C -ATOM 20 C ALA A 2 8.784 11.179 -4.692 1.00 0.00 C -ATOM 21 O ALA A 2 9.911 11.029 -5.173 1.00 0.00 O -ATOM 22 CB ALA A 2 7.556 13.283 -5.129 1.00 0.00 C -ATOM 23 H ALA A 2 10.332 13.172 -4.319 1.00 0.00 H -ATOM 24 HA ALA A 2 7.770 12.338 -3.234 1.00 0.00 H -ATOM 25 HB1 ALA A 2 7.276 14.239 -4.714 1.00 0.00 H -ATOM 26 HB2 ALA A 2 6.663 12.721 -5.364 1.00 0.00 H -ATOM 27 HB3 ALA A 2 8.137 13.431 -6.029 1.00 0.00 H -ATOM 28 N TYR A 3 7.913 10.226 -4.615 1.00 0.00 N -ATOM 29 CA TYR A 3 8.168 8.906 -5.142 1.00 0.00 C -ATOM 30 C TYR A 3 7.121 8.589 -6.194 1.00 0.00 C -ATOM 31 O TYR A 3 6.199 9.385 -6.423 1.00 0.00 O -ATOM 32 CB TYR A 3 8.100 7.834 -4.031 1.00 0.00 C -ATOM 33 CG TYR A 3 9.194 7.863 -2.962 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.434 8.991 -2.184 1.00 0.00 C -ATOM 35 CD2 TYR A 3 9.965 6.734 -2.718 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.406 8.992 -1.202 1.00 0.00 C -ATOM 37 CE2 TYR A 3 10.931 6.724 -1.731 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.145 7.853 -0.975 1.00 0.00 C -ATOM 39 OH TYR A 3 12.100 7.842 0.017 1.00 0.00 O -ATOM 40 H TYR A 3 7.043 10.403 -4.201 1.00 0.00 H -ATOM 41 HA TYR A 3 9.150 8.895 -5.590 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.155 7.909 -3.518 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.138 6.866 -4.511 1.00 0.00 H -ATOM 44 HD1 TYR A 3 8.851 9.881 -2.365 1.00 0.00 H -ATOM 45 HD2 TYR A 3 9.795 5.847 -3.310 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.572 9.880 -0.610 1.00 0.00 H -ATOM 47 HE2 TYR A 3 11.517 5.833 -1.561 1.00 0.00 H -ATOM 48 HH TYR A 3 12.711 7.102 -0.147 1.00 0.00 H -ATOM 49 N PHE A 4 7.273 7.460 -6.825 1.00 0.00 N -ATOM 50 CA PHE A 4 6.309 6.959 -7.782 1.00 0.00 C -ATOM 51 C PHE A 4 5.356 6.032 -7.049 1.00 0.00 C -ATOM 52 O PHE A 4 5.686 5.553 -5.979 1.00 0.00 O -ATOM 53 CB PHE A 4 7.026 6.183 -8.894 1.00 0.00 C -ATOM 54 CG PHE A 4 7.952 7.016 -9.724 1.00 0.00 C -ATOM 55 CD1 PHE A 4 9.277 7.186 -9.356 1.00 0.00 C -ATOM 56 CD2 PHE A 4 7.499 7.630 -10.872 1.00 0.00 C -ATOM 57 CE1 PHE A 4 10.127 7.952 -10.114 1.00 0.00 C -ATOM 58 CE2 PHE A 4 8.344 8.395 -11.637 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.663 8.557 -11.256 1.00 0.00 C -ATOM 60 H PHE A 4 8.081 6.928 -6.645 1.00 0.00 H -ATOM 61 HA PHE A 4 5.767 7.791 -8.207 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.625 5.409 -8.437 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.302 5.721 -9.546 1.00 0.00 H -ATOM 64 HD1 PHE A 4 9.643 6.709 -8.458 1.00 0.00 H -ATOM 65 HD2 PHE A 4 6.468 7.504 -11.168 1.00 0.00 H -ATOM 66 HE1 PHE A 4 11.156 8.076 -9.811 1.00 0.00 H -ATOM 67 HE2 PHE A 4 7.970 8.868 -12.532 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.331 9.159 -11.855 1.00 0.00 H -ATOM 69 N LEU A 5 4.198 5.797 -7.591 1.00 0.00 N -ATOM 70 CA LEU A 5 3.247 4.892 -6.967 1.00 0.00 C -ATOM 71 C LEU A 5 2.854 3.845 -8.008 1.00 0.00 C -ATOM 72 O LEU A 5 2.545 4.203 -9.158 1.00 0.00 O -ATOM 73 CB LEU A 5 2.003 5.698 -6.493 1.00 0.00 C -ATOM 74 CG LEU A 5 1.074 5.081 -5.400 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.433 3.777 -5.821 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.814 4.904 -4.096 1.00 0.00 C -ATOM 77 H LEU A 5 3.960 6.233 -8.438 1.00 0.00 H -ATOM 78 HA LEU A 5 3.722 4.415 -6.123 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.348 6.652 -6.126 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.400 5.887 -7.369 1.00 0.00 H -ATOM 81 HG LEU A 5 0.267 5.776 -5.220 1.00 0.00 H -ATOM 82 HD11 LEU A 5 1.207 3.090 -6.132 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.270 3.941 -6.625 1.00 0.00 H -ATOM 84 HD13 LEU A 5 -0.076 3.356 -4.966 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.194 5.855 -3.755 1.00 0.00 H -ATOM 86 HD22 LEU A 5 2.626 4.208 -4.239 1.00 0.00 H -ATOM 87 HD23 LEU A 5 1.137 4.502 -3.358 1.00 0.00 H -ATOM 88 N ASP A 6 2.900 2.579 -7.651 1.00 0.00 N -ATOM 89 CA ASP A 6 2.462 1.524 -8.559 1.00 0.00 C -ATOM 90 C ASP A 6 1.813 0.400 -7.757 1.00 0.00 C -ATOM 91 O ASP A 6 2.045 0.295 -6.553 1.00 0.00 O -ATOM 92 CB ASP A 6 3.621 1.012 -9.429 1.00 0.00 C -ATOM 93 CG ASP A 6 3.127 0.242 -10.630 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.322 0.805 -11.406 1.00 0.00 O -ATOM 95 OD2 ASP A 6 3.544 -0.908 -10.854 1.00 0.00 O -ATOM 96 H ASP A 6 3.227 2.332 -6.755 1.00 0.00 H -ATOM 97 HA ASP A 6 1.698 1.953 -9.190 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.202 1.853 -9.776 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.251 0.364 -8.838 1.00 0.00 H -ATOM 100 N PHE A 7 0.987 -0.408 -8.392 1.00 0.00 N -ATOM 101 CA PHE A 7 0.242 -1.444 -7.685 1.00 0.00 C -ATOM 102 C PHE A 7 0.602 -2.845 -8.178 1.00 0.00 C -ATOM 103 O PHE A 7 0.854 -3.057 -9.377 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.268 -1.252 -7.882 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.849 0.057 -7.410 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -1.851 1.173 -8.235 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.415 0.162 -6.154 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.401 2.365 -7.810 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.971 1.350 -5.725 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.963 2.453 -6.554 1.00 0.00 C -ATOM 111 H PHE A 7 0.874 -0.333 -9.364 1.00 0.00 H -ATOM 112 HA PHE A 7 0.457 -1.363 -6.630 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.485 -1.328 -8.938 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.782 -2.052 -7.369 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.411 1.107 -9.220 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.420 -0.698 -5.502 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.394 3.228 -8.460 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.408 1.416 -4.740 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.400 3.382 -6.217 1.00 0.00 H -ATOM 120 N ASP A 8 0.618 -3.783 -7.253 1.00 0.00 N -ATOM 121 CA ASP A 8 0.805 -5.209 -7.535 1.00 0.00 C -ATOM 122 C ASP A 8 -0.510 -5.776 -8.019 1.00 0.00 C -ATOM 123 O ASP A 8 -1.557 -5.188 -7.736 1.00 0.00 O -ATOM 124 CB ASP A 8 1.235 -5.974 -6.270 1.00 0.00 C -ATOM 125 CG ASP A 8 1.545 -7.428 -6.557 1.00 0.00 C -ATOM 126 OD1 ASP A 8 2.670 -7.713 -7.011 1.00 0.00 O -ATOM 127 OD2 ASP A 8 0.651 -8.307 -6.387 1.00 0.00 O -ATOM 128 H ASP A 8 0.513 -3.516 -6.311 1.00 0.00 H -ATOM 129 HA ASP A 8 1.556 -5.318 -8.302 1.00 0.00 H -ATOM 130 HB2 ASP A 8 2.123 -5.513 -5.861 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.439 -5.928 -5.542 1.00 0.00 H -ATOM 132 N GLU A 9 -0.476 -6.870 -8.772 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.694 -7.502 -9.256 1.00 0.00 C -ATOM 134 C GLU A 9 -2.660 -7.812 -8.097 1.00 0.00 C -ATOM 135 O GLU A 9 -3.860 -7.625 -8.240 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.418 -8.786 -10.053 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.741 -9.881 -9.254 1.00 0.00 C -ATOM 138 CD GLU A 9 -0.852 -11.221 -9.908 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -1.903 -11.856 -9.774 1.00 0.00 O -ATOM 140 OE2 GLU A 9 0.107 -11.675 -10.549 1.00 0.00 O -ATOM 141 H GLU A 9 0.393 -7.262 -9.003 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.180 -6.786 -9.903 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.355 -9.175 -10.424 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.789 -8.542 -10.898 1.00 0.00 H -ATOM 145 HG2 GLU A 9 0.305 -9.637 -9.145 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -1.200 -9.930 -8.278 1.00 0.00 H -ATOM 147 N ARG A 10 -2.125 -8.240 -6.932 1.00 0.00 N -ATOM 148 CA ARG A 10 -2.971 -8.529 -5.775 1.00 0.00 C -ATOM 149 C ARG A 10 -3.670 -7.282 -5.330 1.00 0.00 C -ATOM 150 O ARG A 10 -4.878 -7.284 -5.109 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.185 -9.136 -4.600 1.00 0.00 C -ATOM 152 CG ARG A 10 -1.736 -10.574 -4.804 1.00 0.00 C -ATOM 153 CD ARG A 10 -2.930 -11.498 -5.037 1.00 0.00 C -ATOM 154 NE ARG A 10 -3.909 -11.465 -3.934 1.00 0.00 N -ATOM 155 CZ ARG A 10 -5.243 -11.324 -4.071 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -5.813 -11.327 -5.279 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -5.994 -11.253 -2.987 1.00 0.00 N -ATOM 158 H ARG A 10 -1.144 -8.333 -6.853 1.00 0.00 H -ATOM 159 HA ARG A 10 -3.727 -9.231 -6.096 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.304 -8.535 -4.427 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -2.805 -9.099 -3.715 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -1.085 -10.618 -5.665 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -1.200 -10.902 -3.925 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -3.422 -11.194 -5.946 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -2.570 -12.509 -5.151 1.00 0.00 H -ATOM 166 HE ARG A 10 -3.543 -11.548 -3.020 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -5.277 -11.444 -6.119 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -6.805 -11.212 -5.401 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -5.555 -11.312 -2.083 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -6.992 -11.148 -3.003 1.00 0.00 H -ATOM 171 N ALA A 11 -2.914 -6.211 -5.260 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.432 -4.930 -4.873 1.00 0.00 C -ATOM 173 C ALA A 11 -4.482 -4.454 -5.856 1.00 0.00 C -ATOM 174 O ALA A 11 -5.521 -4.014 -5.452 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.318 -3.912 -4.770 1.00 0.00 C -ATOM 176 H ALA A 11 -1.964 -6.301 -5.483 1.00 0.00 H -ATOM 177 HA ALA A 11 -3.884 -5.036 -3.897 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.854 -3.790 -5.737 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.581 -4.255 -4.060 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -2.723 -2.966 -4.443 1.00 0.00 H -ATOM 181 N LEU A 12 -4.214 -4.609 -7.144 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.112 -4.141 -8.195 1.00 0.00 C -ATOM 183 C LEU A 12 -6.448 -4.839 -8.170 1.00 0.00 C -ATOM 184 O LEU A 12 -7.493 -4.193 -8.265 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.462 -4.293 -9.562 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.391 -3.270 -9.904 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -2.686 -3.661 -11.189 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.023 -1.885 -10.050 1.00 0.00 C -ATOM 189 H LEU A 12 -3.387 -5.073 -7.408 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.286 -3.091 -8.023 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.018 -5.276 -9.605 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.238 -4.238 -10.309 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.662 -3.228 -9.109 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -2.200 -4.616 -11.056 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -1.949 -2.912 -11.442 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -3.412 -3.737 -11.984 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -3.265 -1.165 -10.325 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -4.481 -1.578 -9.121 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.779 -1.915 -10.820 1.00 0.00 H -ATOM 200 N LYS A 13 -6.418 -6.134 -8.028 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.626 -6.928 -8.004 1.00 0.00 C -ATOM 202 C LYS A 13 -8.493 -6.557 -6.807 1.00 0.00 C -ATOM 203 O LYS A 13 -9.705 -6.350 -6.947 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.247 -8.400 -8.001 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.545 -8.805 -9.281 1.00 0.00 C -ATOM 206 CD LYS A 13 -5.806 -10.115 -9.145 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.182 -10.502 -10.481 1.00 0.00 C -ATOM 208 NZ LYS A 13 -4.444 -11.783 -10.440 1.00 0.00 N -ATOM 209 H LYS A 13 -5.547 -6.581 -7.939 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.173 -6.711 -8.908 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -6.594 -8.596 -7.164 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.144 -8.993 -7.905 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.278 -8.903 -10.068 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -5.841 -8.029 -9.546 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.029 -9.945 -8.410 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -6.482 -10.883 -8.804 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -5.972 -10.587 -11.210 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -4.509 -9.713 -10.786 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -4.200 -12.061 -11.412 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -4.988 -12.556 -10.013 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -3.532 -11.700 -9.931 1.00 0.00 H -ATOM 222 N GLU A 14 -7.869 -6.409 -5.666 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.559 -6.023 -4.452 1.00 0.00 C -ATOM 224 C GLU A 14 -9.029 -4.550 -4.524 1.00 0.00 C -ATOM 225 O GLU A 14 -10.120 -4.220 -4.085 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.651 -6.271 -3.256 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.243 -7.737 -3.105 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.394 -8.642 -2.744 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -8.666 -8.816 -1.544 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -9.053 -9.202 -3.640 1.00 0.00 O -ATOM 231 H GLU A 14 -6.902 -6.576 -5.620 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.431 -6.653 -4.367 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.757 -5.676 -3.369 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.166 -5.968 -2.356 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -6.861 -8.063 -4.061 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.457 -7.840 -2.373 1.00 0.00 H -ATOM 237 N TRP A 15 -8.201 -3.705 -5.118 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.456 -2.262 -5.298 1.00 0.00 C -ATOM 239 C TRP A 15 -9.680 -2.037 -6.184 1.00 0.00 C -ATOM 240 O TRP A 15 -10.548 -1.213 -5.875 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.200 -1.628 -5.932 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.242 -0.162 -6.219 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.608 0.429 -7.389 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.848 0.895 -5.342 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.498 1.788 -7.284 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.027 2.102 -6.039 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.371 0.940 -4.030 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.742 3.337 -5.475 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.088 2.166 -3.472 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.274 3.347 -4.192 1.00 0.00 C -ATOM 251 H TRP A 15 -7.341 -4.055 -5.442 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.628 -1.813 -4.330 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.359 -1.793 -5.274 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.003 -2.142 -6.862 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -7.946 -0.115 -8.260 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.718 2.421 -8.003 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.222 0.035 -3.459 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.880 4.260 -6.017 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.715 2.223 -2.460 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.037 4.285 -3.713 1.00 0.00 H -ATOM 261 N ARG A 16 -9.758 -2.774 -7.274 1.00 0.00 N -ATOM 262 CA ARG A 16 -10.884 -2.647 -8.184 1.00 0.00 C -ATOM 263 C ARG A 16 -12.131 -3.248 -7.565 1.00 0.00 C -ATOM 264 O ARG A 16 -13.245 -2.825 -7.859 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.577 -3.286 -9.533 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.404 -2.638 -10.241 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.111 -3.297 -11.569 1.00 0.00 C -ATOM 268 NE ARG A 16 -10.187 -3.096 -12.549 1.00 0.00 N -ATOM 269 CZ ARG A 16 -10.115 -3.461 -13.837 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -9.014 -4.053 -14.307 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -11.136 -3.223 -14.652 1.00 0.00 N -ATOM 272 H ARG A 16 -9.027 -3.404 -7.474 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.060 -1.591 -8.325 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.342 -4.328 -9.377 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.445 -3.210 -10.170 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -9.647 -1.600 -10.416 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.532 -2.705 -9.607 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -8.190 -2.897 -11.964 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -8.999 -4.355 -11.388 1.00 0.00 H -ATOM 280 HE ARG A 16 -10.994 -2.646 -12.206 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.216 -4.246 -13.730 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -8.917 -4.328 -15.267 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -11.975 -2.766 -14.344 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -11.112 -3.483 -15.621 1.00 0.00 H -ATOM 285 N LYS A 17 -11.930 -4.205 -6.688 1.00 0.00 N -ATOM 286 CA LYS A 17 -13.015 -4.854 -5.975 1.00 0.00 C -ATOM 287 C LYS A 17 -13.570 -3.898 -4.905 1.00 0.00 C -ATOM 288 O LYS A 17 -14.778 -3.848 -4.665 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.489 -6.134 -5.328 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.544 -7.025 -4.702 1.00 0.00 C -ATOM 291 CD LYS A 17 -12.910 -8.259 -4.076 1.00 0.00 C -ATOM 292 CE LYS A 17 -12.134 -7.933 -2.806 1.00 0.00 C -ATOM 293 NZ LYS A 17 -11.424 -9.115 -2.288 1.00 0.00 N -ATOM 294 H LYS A 17 -11.008 -4.495 -6.522 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.793 -5.102 -6.683 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -11.969 -6.710 -6.080 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.780 -5.849 -4.566 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -14.058 -6.468 -3.934 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -14.247 -7.333 -5.461 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -13.683 -8.972 -3.836 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -12.230 -8.688 -4.798 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -11.409 -7.161 -3.018 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -12.824 -7.581 -2.055 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -12.027 -9.957 -2.208 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -11.022 -8.927 -1.349 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -10.606 -9.350 -2.896 1.00 0.00 H -ATOM 307 N LEU A 18 -12.667 -3.166 -4.273 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.982 -2.155 -3.255 1.00 0.00 C -ATOM 309 C LEU A 18 -13.926 -1.083 -3.790 1.00 0.00 C -ATOM 310 O LEU A 18 -13.920 -0.774 -4.997 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.694 -1.475 -2.783 1.00 0.00 C -ATOM 312 CG LEU A 18 -11.288 -1.677 -1.327 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -11.060 -3.146 -1.007 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -10.049 -0.865 -1.025 1.00 0.00 C -ATOM 315 H LEU A 18 -11.722 -3.330 -4.482 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.438 -2.647 -2.409 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.885 -1.827 -3.406 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.810 -0.415 -2.954 1.00 0.00 H -ATOM 319 HG LEU A 18 -12.078 -1.310 -0.689 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -10.271 -3.533 -1.634 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -11.970 -3.698 -1.187 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.781 -3.246 0.030 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.244 -1.170 -1.676 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -9.764 -1.017 0.005 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -10.272 0.180 -1.187 1.00 0.00 H -ATOM 326 N GLY A 19 -14.720 -0.521 -2.897 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.640 0.531 -3.254 1.00 0.00 C -ATOM 328 C GLY A 19 -14.904 1.763 -3.712 1.00 0.00 C -ATOM 329 O GLY A 19 -13.835 2.077 -3.170 1.00 0.00 O -ATOM 330 H GLY A 19 -14.685 -0.818 -1.962 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.275 0.183 -4.054 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.248 0.781 -2.397 1.00 0.00 H -ATOM 333 N SER A 20 -15.476 2.455 -4.684 1.00 0.00 N -ATOM 334 CA SER A 20 -14.890 3.626 -5.319 1.00 0.00 C -ATOM 335 C SER A 20 -14.403 4.662 -4.283 1.00 0.00 C -ATOM 336 O SER A 20 -13.264 5.091 -4.316 1.00 0.00 O -ATOM 337 CB SER A 20 -15.939 4.250 -6.245 1.00 0.00 C -ATOM 338 OG SER A 20 -16.527 3.254 -7.087 1.00 0.00 O -ATOM 339 H SER A 20 -16.361 2.174 -5.001 1.00 0.00 H -ATOM 340 HA SER A 20 -14.055 3.302 -5.922 1.00 0.00 H -ATOM 341 HB2 SER A 20 -16.714 4.704 -5.645 1.00 0.00 H -ATOM 342 HB3 SER A 20 -15.473 5.002 -6.863 1.00 0.00 H -ATOM 343 HG SER A 20 -17.488 3.337 -7.008 1.00 0.00 H -ATOM 344 N THR A 21 -15.256 5.001 -3.355 1.00 0.00 N -ATOM 345 CA THR A 21 -14.968 5.986 -2.332 1.00 0.00 C -ATOM 346 C THR A 21 -13.909 5.468 -1.346 1.00 0.00 C -ATOM 347 O THR A 21 -13.005 6.205 -0.941 1.00 0.00 O -ATOM 348 CB THR A 21 -16.267 6.356 -1.586 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.261 6.736 -2.558 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.041 7.522 -0.627 1.00 0.00 C -ATOM 351 H THR A 21 -16.128 4.553 -3.340 1.00 0.00 H -ATOM 352 HA THR A 21 -14.587 6.872 -2.817 1.00 0.00 H -ATOM 353 HB THR A 21 -16.603 5.490 -1.034 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.284 7.701 -2.586 1.00 0.00 H -ATOM 355 HG21 THR A 21 -15.710 8.389 -1.180 1.00 0.00 H -ATOM 356 HG22 THR A 21 -15.286 7.253 0.097 1.00 0.00 H -ATOM 357 HG23 THR A 21 -16.964 7.754 -0.115 1.00 0.00 H -ATOM 358 N VAL A 22 -13.984 4.185 -1.033 1.00 0.00 N -ATOM 359 CA VAL A 22 -13.072 3.580 -0.081 1.00 0.00 C -ATOM 360 C VAL A 22 -11.672 3.568 -0.665 1.00 0.00 C -ATOM 361 O VAL A 22 -10.711 4.017 -0.028 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.506 2.128 0.274 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -12.519 1.485 1.236 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.901 2.117 0.879 1.00 0.00 C -ATOM 365 H VAL A 22 -14.647 3.621 -1.481 1.00 0.00 H -ATOM 366 HA VAL A 22 -13.076 4.180 0.818 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.527 1.554 -0.641 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -12.836 0.477 1.463 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -12.477 2.059 2.149 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -11.539 1.458 0.782 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.896 2.699 1.788 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -15.186 1.102 1.108 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -15.605 2.543 0.180 1.00 0.00 H -ATOM 374 N ARG A 23 -11.570 3.127 -1.901 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.298 3.108 -2.563 1.00 0.00 C -ATOM 376 C ARG A 23 -9.801 4.507 -2.853 1.00 0.00 C -ATOM 377 O ARG A 23 -8.629 4.754 -2.780 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.274 2.247 -3.818 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.297 2.609 -4.867 1.00 0.00 C -ATOM 380 CD ARG A 23 -10.960 1.936 -6.163 1.00 0.00 C -ATOM 381 NE ARG A 23 -11.899 2.275 -7.230 1.00 0.00 N -ATOM 382 CZ ARG A 23 -12.666 1.395 -7.891 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.719 0.115 -7.504 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.394 1.802 -8.921 1.00 0.00 N -ATOM 385 H ARG A 23 -12.379 2.799 -2.357 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.609 2.684 -1.847 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.295 2.331 -4.266 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.427 1.218 -3.530 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.244 2.219 -4.520 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.398 3.678 -4.990 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -9.972 2.282 -6.434 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -10.941 0.867 -6.013 1.00 0.00 H -ATOM 393 HE ARG A 23 -11.892 3.229 -7.477 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -12.195 -0.227 -6.715 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -13.285 -0.568 -7.978 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -13.399 2.754 -9.243 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -13.993 1.177 -9.431 1.00 0.00 H -ATOM 398 N GLU A 24 -10.692 5.425 -3.182 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.275 6.787 -3.435 1.00 0.00 C -ATOM 400 C GLU A 24 -9.746 7.505 -2.219 1.00 0.00 C -ATOM 401 O GLU A 24 -8.871 8.342 -2.346 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.286 7.612 -4.187 1.00 0.00 C -ATOM 403 CG GLU A 24 -11.342 7.258 -5.655 1.00 0.00 C -ATOM 404 CD GLU A 24 -12.139 8.238 -6.438 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -11.613 9.328 -6.741 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -13.299 7.960 -6.764 1.00 0.00 O -ATOM 407 H GLU A 24 -11.641 5.182 -3.274 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.414 6.666 -4.077 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.256 7.424 -3.749 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.039 8.658 -4.085 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -10.338 7.243 -6.051 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -11.788 6.281 -5.762 1.00 0.00 H -ATOM 413 N GLN A 25 -10.246 7.191 -1.040 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.703 7.774 0.138 1.00 0.00 C -ATOM 415 C GLN A 25 -8.315 7.199 0.402 1.00 0.00 C -ATOM 416 O GLN A 25 -7.423 7.899 0.866 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.645 7.632 1.315 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.518 8.869 1.648 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.575 9.302 0.607 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -13.616 9.831 0.982 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -12.322 9.137 -0.660 1.00 0.00 N -ATOM 422 H GLN A 25 -10.979 6.549 -0.903 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.561 8.821 -0.080 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -11.304 6.795 1.136 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -10.025 7.416 2.167 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -12.050 8.665 2.566 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -10.850 9.699 1.824 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -11.468 8.734 -0.917 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -12.997 9.418 -1.317 1.00 0.00 H -ATOM 430 N LEU A 26 -8.140 5.931 0.068 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.832 5.295 0.118 1.00 0.00 C -ATOM 432 C LEU A 26 -5.904 5.944 -0.920 1.00 0.00 C -ATOM 433 O LEU A 26 -4.746 6.216 -0.635 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.952 3.790 -0.129 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.701 2.987 0.944 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.853 1.556 0.514 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.964 3.054 2.271 1.00 0.00 C -ATOM 438 H LEU A 26 -8.915 5.400 -0.214 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.418 5.470 1.101 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.461 3.652 -1.071 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.953 3.387 -0.219 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.698 3.376 1.082 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -6.875 1.122 0.372 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.405 1.511 -0.414 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.381 1.003 1.277 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -5.960 2.675 2.144 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -7.483 2.443 2.995 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -6.926 4.075 2.619 1.00 0.00 H -ATOM 449 N LYS A 27 -6.449 6.203 -2.118 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.746 6.917 -3.197 1.00 0.00 C -ATOM 451 C LYS A 27 -5.255 8.271 -2.681 1.00 0.00 C -ATOM 452 O LYS A 27 -4.116 8.654 -2.897 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.727 7.174 -4.350 1.00 0.00 C -ATOM 454 CG LYS A 27 -6.148 7.933 -5.541 1.00 0.00 C -ATOM 455 CD LYS A 27 -7.251 8.533 -6.426 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.985 9.675 -5.703 1.00 0.00 C -ATOM 457 NZ LYS A 27 -9.038 10.312 -6.535 1.00 0.00 N -ATOM 458 H LYS A 27 -7.350 5.851 -2.294 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.920 6.324 -3.557 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -7.097 6.223 -4.706 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.554 7.741 -3.951 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.530 8.734 -5.164 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -5.546 7.257 -6.130 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -6.807 8.920 -7.331 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.963 7.760 -6.675 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -8.451 9.289 -4.808 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -7.253 10.421 -5.420 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -9.849 9.688 -6.741 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -8.657 10.644 -7.444 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -9.411 11.145 -6.038 1.00 0.00 H -ATOM 471 N LYS A 28 -6.135 8.959 -1.964 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.833 10.244 -1.343 1.00 0.00 C -ATOM 473 C LYS A 28 -4.658 10.121 -0.382 1.00 0.00 C -ATOM 474 O LYS A 28 -3.796 11.011 -0.318 1.00 0.00 O -ATOM 475 CB LYS A 28 -7.083 10.786 -0.637 1.00 0.00 C -ATOM 476 CG LYS A 28 -8.133 11.359 -1.599 1.00 0.00 C -ATOM 477 CD LYS A 28 -9.545 11.460 -0.987 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.571 12.018 0.426 1.00 0.00 C -ATOM 479 NZ LYS A 28 -9.062 13.400 0.529 1.00 0.00 N -ATOM 480 H LYS A 28 -7.037 8.581 -1.870 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.556 10.927 -2.131 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -7.535 9.986 -0.069 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.778 11.570 0.043 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.828 12.340 -1.930 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -8.185 10.690 -2.446 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -10.127 12.122 -1.610 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -10.010 10.487 -1.000 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -10.597 11.996 0.763 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -8.985 11.361 1.051 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -8.117 13.503 0.112 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -8.967 13.640 1.539 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -9.713 14.088 0.103 1.00 0.00 H -ATOM 493 N LYS A 29 -4.603 9.012 0.327 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.509 8.738 1.233 1.00 0.00 C -ATOM 495 C LYS A 29 -2.219 8.459 0.500 1.00 0.00 C -ATOM 496 O LYS A 29 -1.147 8.837 0.955 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.831 7.625 2.221 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.386 8.118 3.548 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.679 8.878 3.396 1.00 0.00 C -ATOM 500 CE LYS A 29 -6.095 9.471 4.715 1.00 0.00 C -ATOM 501 NZ LYS A 29 -5.122 10.475 5.191 1.00 0.00 N -ATOM 502 H LYS A 29 -5.324 8.350 0.235 1.00 0.00 H -ATOM 503 HA LYS A 29 -3.379 9.654 1.786 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.557 6.963 1.773 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.925 7.071 2.413 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.569 7.267 4.188 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.652 8.759 4.012 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -5.539 9.672 2.677 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.448 8.205 3.047 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -7.076 9.912 4.635 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -6.106 8.648 5.417 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -5.497 11.026 5.986 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -4.829 11.139 4.437 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.248 10.017 5.516 1.00 0.00 H -ATOM 515 N LEU A 30 -2.323 7.819 -0.631 1.00 0.00 N -ATOM 516 CA LEU A 30 -1.166 7.535 -1.448 1.00 0.00 C -ATOM 517 C LEU A 30 -0.575 8.837 -1.971 1.00 0.00 C -ATOM 518 O LEU A 30 0.635 9.037 -1.953 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.547 6.610 -2.602 1.00 0.00 C -ATOM 520 CG LEU A 30 -2.161 5.269 -2.192 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.535 4.455 -3.409 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.213 4.491 -1.286 1.00 0.00 C -ATOM 523 H LEU A 30 -3.210 7.511 -0.920 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.438 7.040 -0.824 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.254 7.132 -3.230 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.655 6.410 -3.178 1.00 0.00 H -ATOM 527 HG LEU A 30 -3.069 5.464 -1.640 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -3.262 4.997 -3.996 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -2.956 3.510 -3.099 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -1.653 4.283 -4.007 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -0.272 4.329 -1.787 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -1.657 3.537 -1.049 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -1.049 5.045 -0.374 1.00 0.00 H -ATOM 534 N VAL A 31 -1.452 9.733 -2.380 1.00 0.00 N -ATOM 535 CA VAL A 31 -1.057 11.037 -2.889 1.00 0.00 C -ATOM 536 C VAL A 31 -0.331 11.865 -1.810 1.00 0.00 C -ATOM 537 O VAL A 31 0.717 12.463 -2.083 1.00 0.00 O -ATOM 538 CB VAL A 31 -2.291 11.819 -3.437 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -1.913 13.215 -3.906 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -2.936 11.050 -4.574 1.00 0.00 C -ATOM 541 H VAL A 31 -2.404 9.489 -2.353 1.00 0.00 H -ATOM 542 HA VAL A 31 -0.365 10.875 -3.702 1.00 0.00 H -ATOM 543 HB VAL A 31 -3.019 11.907 -2.644 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -1.173 13.145 -4.689 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -1.511 13.772 -3.072 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -2.795 13.713 -4.281 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -3.784 11.604 -4.949 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -3.272 10.093 -4.197 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -2.220 10.897 -5.366 1.00 0.00 H -ATOM 550 N GLU A 32 -0.859 11.874 -0.588 1.00 0.00 N -ATOM 551 CA GLU A 32 -0.225 12.630 0.488 1.00 0.00 C -ATOM 552 C GLU A 32 1.117 11.995 0.891 1.00 0.00 C -ATOM 553 O GLU A 32 2.150 12.684 0.964 1.00 0.00 O -ATOM 554 CB GLU A 32 -1.163 12.798 1.721 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.561 11.495 2.384 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.520 11.634 3.546 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -3.735 11.799 3.315 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -2.082 11.535 4.720 1.00 0.00 O -ATOM 559 H GLU A 32 -1.686 11.371 -0.420 1.00 0.00 H -ATOM 560 HA GLU A 32 -0.013 13.605 0.077 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.657 13.402 2.460 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -2.062 13.308 1.405 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -2.006 10.881 1.619 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.659 11.009 2.726 1.00 0.00 H -ATOM 565 N VAL A 33 1.104 10.675 1.045 1.00 0.00 N -ATOM 566 CA VAL A 33 2.228 9.926 1.561 1.00 0.00 C -ATOM 567 C VAL A 33 3.461 10.022 0.670 1.00 0.00 C -ATOM 568 O VAL A 33 4.556 9.989 1.163 1.00 0.00 O -ATOM 569 CB VAL A 33 1.883 8.448 1.908 1.00 0.00 C -ATOM 570 CG1 VAL A 33 1.848 7.540 0.686 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.820 7.924 2.970 1.00 0.00 C -ATOM 572 H VAL A 33 0.290 10.174 0.808 1.00 0.00 H -ATOM 573 HA VAL A 33 2.492 10.426 2.481 1.00 0.00 H -ATOM 574 HB VAL A 33 0.886 8.449 2.323 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.143 7.941 -0.027 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.543 6.546 0.978 1.00 0.00 H -ATOM 577 HG13 VAL A 33 2.830 7.499 0.237 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.718 8.513 3.870 1.00 0.00 H -ATOM 579 HG22 VAL A 33 3.824 8.018 2.590 1.00 0.00 H -ATOM 580 HG23 VAL A 33 2.602 6.887 3.177 1.00 0.00 H -ATOM 581 N LEU A 34 3.261 10.181 -0.637 1.00 0.00 N -ATOM 582 CA LEU A 34 4.359 10.234 -1.618 1.00 0.00 C -ATOM 583 C LEU A 34 5.435 11.273 -1.285 1.00 0.00 C -ATOM 584 O LEU A 34 6.585 11.123 -1.716 1.00 0.00 O -ATOM 585 CB LEU A 34 3.828 10.490 -3.034 1.00 0.00 C -ATOM 586 CG LEU A 34 3.083 9.343 -3.716 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.547 9.794 -5.066 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.002 8.143 -3.889 1.00 0.00 C -ATOM 589 H LEU A 34 2.336 10.247 -0.959 1.00 0.00 H -ATOM 590 HA LEU A 34 4.834 9.263 -1.614 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.147 11.323 -2.968 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.653 10.781 -3.667 1.00 0.00 H -ATOM 593 HG LEU A 34 2.245 9.047 -3.103 1.00 0.00 H -ATOM 594 HD11 LEU A 34 3.366 10.134 -5.682 1.00 0.00 H -ATOM 595 HD12 LEU A 34 1.842 10.599 -4.922 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.052 8.966 -5.550 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.309 7.767 -2.925 1.00 0.00 H -ATOM 598 HD22 LEU A 34 4.876 8.446 -4.445 1.00 0.00 H -ATOM 599 HD23 LEU A 34 3.486 7.367 -4.434 1.00 0.00 H -ATOM 600 N GLU A 35 5.085 12.322 -0.541 1.00 0.00 N -ATOM 601 CA GLU A 35 6.087 13.314 -0.189 1.00 0.00 C -ATOM 602 C GLU A 35 7.006 12.800 0.941 1.00 0.00 C -ATOM 603 O GLU A 35 8.163 13.201 1.048 1.00 0.00 O -ATOM 604 CB GLU A 35 5.468 14.658 0.200 1.00 0.00 C -ATOM 605 CG GLU A 35 4.684 14.647 1.496 1.00 0.00 C -ATOM 606 CD GLU A 35 4.262 16.023 1.908 1.00 0.00 C -ATOM 607 OE1 GLU A 35 5.145 16.840 2.269 1.00 0.00 O -ATOM 608 OE2 GLU A 35 3.055 16.326 1.882 1.00 0.00 O -ATOM 609 H GLU A 35 4.157 12.408 -0.226 1.00 0.00 H -ATOM 610 HA GLU A 35 6.701 13.452 -1.068 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.258 15.388 0.294 1.00 0.00 H -ATOM 612 HB3 GLU A 35 4.803 14.970 -0.592 1.00 0.00 H -ATOM 613 HG2 GLU A 35 3.805 14.032 1.374 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.309 14.229 2.272 1.00 0.00 H -ATOM 615 N SER A 36 6.497 11.922 1.782 1.00 0.00 N -ATOM 616 CA SER A 36 7.261 11.384 2.902 1.00 0.00 C -ATOM 617 C SER A 36 6.754 9.973 3.273 1.00 0.00 C -ATOM 618 O SER A 36 6.106 9.793 4.290 1.00 0.00 O -ATOM 619 CB SER A 36 7.161 12.327 4.129 1.00 0.00 C -ATOM 620 OG SER A 36 7.572 13.662 3.805 1.00 0.00 O -ATOM 621 H SER A 36 5.589 11.574 1.643 1.00 0.00 H -ATOM 622 HA SER A 36 8.294 11.309 2.600 1.00 0.00 H -ATOM 623 HB2 SER A 36 6.137 12.357 4.473 1.00 0.00 H -ATOM 624 HB3 SER A 36 7.794 11.951 4.920 1.00 0.00 H -ATOM 625 HG SER A 36 7.892 13.633 2.892 1.00 0.00 H -ATOM 626 N PRO A 37 6.985 8.957 2.411 1.00 0.00 N -ATOM 627 CA PRO A 37 6.515 7.601 2.672 1.00 0.00 C -ATOM 628 C PRO A 37 7.500 6.783 3.488 1.00 0.00 C -ATOM 629 O PRO A 37 7.217 5.669 3.867 1.00 0.00 O -ATOM 630 CB PRO A 37 6.351 7.022 1.273 1.00 0.00 C -ATOM 631 CG PRO A 37 7.420 7.684 0.472 1.00 0.00 C -ATOM 632 CD PRO A 37 7.636 9.055 1.083 1.00 0.00 C -ATOM 633 HA PRO A 37 5.567 7.591 3.184 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.477 5.951 1.307 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.370 7.261 0.891 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.328 7.103 0.525 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.102 7.778 -0.557 1.00 0.00 H -ATOM 638 HD2 PRO A 37 8.689 9.278 1.182 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.140 9.803 0.479 1.00 0.00 H -ATOM 640 N ARG A 38 8.635 7.365 3.789 1.00 0.00 N -ATOM 641 CA ARG A 38 9.672 6.682 4.544 1.00 0.00 C -ATOM 642 C ARG A 38 9.524 6.909 6.059 1.00 0.00 C -ATOM 643 O ARG A 38 10.495 6.988 6.800 1.00 0.00 O -ATOM 644 CB ARG A 38 11.079 7.033 3.978 1.00 0.00 C -ATOM 645 CG ARG A 38 11.420 8.526 3.817 1.00 0.00 C -ATOM 646 CD ARG A 38 11.808 9.199 5.125 1.00 0.00 C -ATOM 647 NE ARG A 38 13.002 8.590 5.745 1.00 0.00 N -ATOM 648 CZ ARG A 38 13.366 8.764 7.029 1.00 0.00 C -ATOM 649 NH1 ARG A 38 12.618 9.510 7.836 1.00 0.00 N -ATOM 650 NH2 ARG A 38 14.460 8.172 7.506 1.00 0.00 N -ATOM 651 H ARG A 38 8.758 8.289 3.492 1.00 0.00 H -ATOM 652 HA ARG A 38 9.494 5.628 4.383 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.819 6.609 4.641 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.178 6.556 3.013 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.238 8.627 3.123 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.555 9.027 3.408 1.00 0.00 H -ATOM 657 HD2 ARG A 38 12.015 10.241 4.931 1.00 0.00 H -ATOM 658 HD3 ARG A 38 10.978 9.115 5.811 1.00 0.00 H -ATOM 659 HE ARG A 38 13.544 8.021 5.151 1.00 0.00 H -ATOM 660 HH11 ARG A 38 11.777 9.957 7.525 1.00 0.00 H -ATOM 661 HH12 ARG A 38 12.858 9.651 8.801 1.00 0.00 H -ATOM 662 HH21 ARG A 38 15.026 7.584 6.921 1.00 0.00 H -ATOM 663 HH22 ARG A 38 14.764 8.284 8.458 1.00 0.00 H -ATOM 664 N ILE A 39 8.288 6.930 6.507 1.00 0.00 N -ATOM 665 CA ILE A 39 7.976 7.112 7.906 1.00 0.00 C -ATOM 666 C ILE A 39 8.099 5.761 8.603 1.00 0.00 C -ATOM 667 O ILE A 39 7.200 4.912 8.512 1.00 0.00 O -ATOM 668 CB ILE A 39 6.545 7.705 8.102 1.00 0.00 C -ATOM 669 CG1 ILE A 39 6.449 9.075 7.413 1.00 0.00 C -ATOM 670 CG2 ILE A 39 6.191 7.825 9.588 1.00 0.00 C -ATOM 671 CD1 ILE A 39 5.081 9.729 7.494 1.00 0.00 C -ATOM 672 H ILE A 39 7.567 6.773 5.861 1.00 0.00 H -ATOM 673 HA ILE A 39 8.710 7.790 8.320 1.00 0.00 H -ATOM 674 HB ILE A 39 5.837 7.033 7.640 1.00 0.00 H -ATOM 675 HG12 ILE A 39 7.157 9.749 7.871 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.704 8.957 6.370 1.00 0.00 H -ATOM 677 HG21 ILE A 39 6.890 8.494 10.068 1.00 0.00 H -ATOM 678 HG22 ILE A 39 6.247 6.851 10.049 1.00 0.00 H -ATOM 679 HG23 ILE A 39 5.189 8.214 9.690 1.00 0.00 H -ATOM 680 HD11 ILE A 39 5.113 10.674 6.969 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.819 9.895 8.528 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.345 9.086 7.032 1.00 0.00 H -ATOM 683 N GLU A 40 9.224 5.571 9.282 1.00 0.00 N -ATOM 684 CA GLU A 40 9.590 4.302 9.906 1.00 0.00 C -ATOM 685 C GLU A 40 8.555 3.799 10.913 1.00 0.00 C -ATOM 686 O GLU A 40 8.456 2.598 11.155 1.00 0.00 O -ATOM 687 CB GLU A 40 10.972 4.386 10.550 1.00 0.00 C -ATOM 688 CG GLU A 40 11.068 5.385 11.679 1.00 0.00 C -ATOM 689 CD GLU A 40 12.416 5.414 12.310 1.00 0.00 C -ATOM 690 OE1 GLU A 40 12.677 4.593 13.222 1.00 0.00 O -ATOM 691 OE2 GLU A 40 13.238 6.263 11.932 1.00 0.00 O -ATOM 692 H GLU A 40 9.844 6.329 9.356 1.00 0.00 H -ATOM 693 HA GLU A 40 9.646 3.583 9.104 1.00 0.00 H -ATOM 694 HB2 GLU A 40 11.233 3.411 10.931 1.00 0.00 H -ATOM 695 HB3 GLU A 40 11.688 4.663 9.790 1.00 0.00 H -ATOM 696 HG2 GLU A 40 10.858 6.368 11.286 1.00 0.00 H -ATOM 697 HG3 GLU A 40 10.334 5.134 12.432 1.00 0.00 H -ATOM 698 N ALA A 41 7.772 4.709 11.471 1.00 0.00 N -ATOM 699 CA ALA A 41 6.723 4.357 12.420 1.00 0.00 C -ATOM 700 C ALA A 41 5.630 3.525 11.750 1.00 0.00 C -ATOM 701 O ALA A 41 4.895 2.802 12.413 1.00 0.00 O -ATOM 702 CB ALA A 41 6.120 5.613 13.032 1.00 0.00 C -ATOM 703 H ALA A 41 7.927 5.654 11.250 1.00 0.00 H -ATOM 704 HA ALA A 41 7.169 3.773 13.212 1.00 0.00 H -ATOM 705 HB1 ALA A 41 5.385 5.336 13.772 1.00 0.00 H -ATOM 706 HB2 ALA A 41 5.646 6.198 12.257 1.00 0.00 H -ATOM 707 HB3 ALA A 41 6.897 6.200 13.497 1.00 0.00 H -ATOM 708 N ASN A 42 5.537 3.622 10.437 1.00 0.00 N -ATOM 709 CA ASN A 42 4.518 2.900 9.688 1.00 0.00 C -ATOM 710 C ASN A 42 5.079 1.639 9.064 1.00 0.00 C -ATOM 711 O ASN A 42 4.370 0.936 8.341 1.00 0.00 O -ATOM 712 CB ASN A 42 3.881 3.786 8.599 1.00 0.00 C -ATOM 713 CG ASN A 42 3.069 4.944 9.155 1.00 0.00 C -ATOM 714 OD1 ASN A 42 2.488 4.859 10.244 1.00 0.00 O -ATOM 715 ND2 ASN A 42 3.022 6.033 8.422 1.00 0.00 N -ATOM 716 H ASN A 42 6.184 4.178 9.945 1.00 0.00 H -ATOM 717 HA ASN A 42 3.746 2.609 10.384 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.664 4.200 7.983 1.00 0.00 H -ATOM 719 HB3 ASN A 42 3.235 3.174 7.985 1.00 0.00 H -ATOM 720 HD21 ASN A 42 3.505 6.041 7.569 1.00 0.00 H -ATOM 721 HD22 ASN A 42 2.507 6.794 8.761 1.00 0.00 H -ATOM 722 N LYS A 43 6.343 1.344 9.347 1.00 0.00 N -ATOM 723 CA LYS A 43 6.982 0.150 8.809 1.00 0.00 C -ATOM 724 C LYS A 43 6.465 -1.096 9.464 1.00 0.00 C -ATOM 725 O LYS A 43 6.240 -1.135 10.679 1.00 0.00 O -ATOM 726 CB LYS A 43 8.513 0.196 8.909 1.00 0.00 C -ATOM 727 CG LYS A 43 9.146 1.183 7.961 1.00 0.00 C -ATOM 728 CD LYS A 43 10.685 1.255 8.028 1.00 0.00 C -ATOM 729 CE LYS A 43 11.405 0.014 7.458 1.00 0.00 C -ATOM 730 NZ LYS A 43 11.347 -1.177 8.341 1.00 0.00 N -ATOM 731 H LYS A 43 6.842 1.929 9.956 1.00 0.00 H -ATOM 732 HA LYS A 43 6.713 0.100 7.764 1.00 0.00 H -ATOM 733 HB2 LYS A 43 8.788 0.464 9.918 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.895 -0.789 8.692 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.875 0.894 6.956 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.730 2.158 8.158 1.00 0.00 H -ATOM 737 HD2 LYS A 43 11.007 2.116 7.462 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.973 1.390 9.060 1.00 0.00 H -ATOM 739 HE2 LYS A 43 10.940 -0.244 6.518 1.00 0.00 H -ATOM 740 HE3 LYS A 43 12.437 0.267 7.269 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 11.901 -1.955 7.927 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 10.382 -1.542 8.458 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 11.742 -0.976 9.281 1.00 0.00 H -ATOM 744 N LEU A 44 6.271 -2.099 8.663 1.00 0.00 N -ATOM 745 CA LEU A 44 5.803 -3.361 9.132 1.00 0.00 C -ATOM 746 C LEU A 44 6.932 -4.149 9.727 1.00 0.00 C -ATOM 747 O LEU A 44 8.054 -4.160 9.198 1.00 0.00 O -ATOM 748 CB LEU A 44 5.152 -4.167 8.020 1.00 0.00 C -ATOM 749 CG LEU A 44 3.909 -3.581 7.386 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.318 -4.554 6.396 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.900 -3.229 8.438 1.00 0.00 C -ATOM 752 H LEU A 44 6.457 -1.968 7.706 1.00 0.00 H -ATOM 753 HA LEU A 44 5.067 -3.178 9.899 1.00 0.00 H -ATOM 754 HB2 LEU A 44 5.884 -4.275 7.235 1.00 0.00 H -ATOM 755 HB3 LEU A 44 4.909 -5.146 8.402 1.00 0.00 H -ATOM 756 HG LEU A 44 4.174 -2.679 6.852 1.00 0.00 H -ATOM 757 HD11 LEU A 44 2.418 -4.129 5.979 1.00 0.00 H -ATOM 758 HD12 LEU A 44 3.079 -5.479 6.900 1.00 0.00 H -ATOM 759 HD13 LEU A 44 4.030 -4.741 5.606 1.00 0.00 H -ATOM 760 HD21 LEU A 44 2.701 -4.090 9.055 1.00 0.00 H -ATOM 761 HD22 LEU A 44 1.987 -2.921 7.950 1.00 0.00 H -ATOM 762 HD23 LEU A 44 3.275 -2.420 9.047 1.00 0.00 H -ATOM 763 N ARG A 45 6.642 -4.771 10.813 1.00 0.00 N -ATOM 764 CA ARG A 45 7.567 -5.589 11.530 1.00 0.00 C -ATOM 765 C ARG A 45 7.833 -6.900 10.783 1.00 0.00 C -ATOM 766 O ARG A 45 6.963 -7.779 10.717 1.00 0.00 O -ATOM 767 CB ARG A 45 6.990 -5.853 12.913 1.00 0.00 C -ATOM 768 CG ARG A 45 7.746 -6.848 13.744 1.00 0.00 C -ATOM 769 CD ARG A 45 7.063 -7.047 15.068 1.00 0.00 C -ATOM 770 NE ARG A 45 7.666 -8.132 15.818 1.00 0.00 N -ATOM 771 CZ ARG A 45 7.377 -8.448 17.072 1.00 0.00 C -ATOM 772 NH1 ARG A 45 6.524 -7.693 17.779 1.00 0.00 N -ATOM 773 NH2 ARG A 45 7.946 -9.511 17.620 1.00 0.00 N -ATOM 774 H ARG A 45 5.734 -4.677 11.173 1.00 0.00 H -ATOM 775 HA ARG A 45 8.492 -5.045 11.645 1.00 0.00 H -ATOM 776 HB2 ARG A 45 6.960 -4.922 13.458 1.00 0.00 H -ATOM 777 HB3 ARG A 45 5.979 -6.212 12.792 1.00 0.00 H -ATOM 778 HG2 ARG A 45 7.790 -7.791 13.218 1.00 0.00 H -ATOM 779 HG3 ARG A 45 8.745 -6.477 13.912 1.00 0.00 H -ATOM 780 HD2 ARG A 45 7.140 -6.137 15.644 1.00 0.00 H -ATOM 781 HD3 ARG A 45 6.023 -7.278 14.896 1.00 0.00 H -ATOM 782 HE ARG A 45 8.318 -8.667 15.306 1.00 0.00 H -ATOM 783 HH11 ARG A 45 6.085 -6.882 17.378 1.00 0.00 H -ATOM 784 HH12 ARG A 45 6.284 -7.879 18.733 1.00 0.00 H -ATOM 785 HH21 ARG A 45 8.593 -10.069 17.091 1.00 0.00 H -ATOM 786 HH22 ARG A 45 7.766 -9.831 18.552 1.00 0.00 H -ATOM 787 N GLY A 46 9.007 -7.003 10.193 1.00 0.00 N -ATOM 788 CA GLY A 46 9.393 -8.215 9.518 1.00 0.00 C -ATOM 789 C GLY A 46 8.995 -8.236 8.075 1.00 0.00 C -ATOM 790 O GLY A 46 8.702 -9.300 7.521 1.00 0.00 O -ATOM 791 H GLY A 46 9.631 -6.245 10.209 1.00 0.00 H -ATOM 792 HA2 GLY A 46 10.462 -8.341 9.587 1.00 0.00 H -ATOM 793 HA3 GLY A 46 8.903 -9.039 10.012 1.00 0.00 H -ATOM 794 N MET A 47 8.990 -7.090 7.458 1.00 0.00 N -ATOM 795 CA MET A 47 8.609 -6.980 6.068 1.00 0.00 C -ATOM 796 C MET A 47 9.586 -6.075 5.352 1.00 0.00 C -ATOM 797 O MET A 47 9.909 -4.999 5.856 1.00 0.00 O -ATOM 798 CB MET A 47 7.195 -6.422 5.935 1.00 0.00 C -ATOM 799 CG MET A 47 6.090 -7.331 6.476 1.00 0.00 C -ATOM 800 SD MET A 47 5.916 -8.871 5.545 1.00 0.00 S -ATOM 801 CE MET A 47 5.435 -8.238 3.937 1.00 0.00 C -ATOM 802 H MET A 47 9.284 -6.287 7.940 1.00 0.00 H -ATOM 803 HA MET A 47 8.646 -7.968 5.634 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.175 -5.487 6.472 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.003 -6.225 4.891 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.321 -7.579 7.501 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.153 -6.797 6.442 1.00 0.00 H -ATOM 808 HE1 MET A 47 6.224 -7.620 3.535 1.00 0.00 H -ATOM 809 HE2 MET A 47 4.537 -7.646 4.041 1.00 0.00 H -ATOM 810 HE3 MET A 47 5.243 -9.062 3.266 1.00 0.00 H -ATOM 811 N PRO A 48 10.082 -6.487 4.185 1.00 0.00 N -ATOM 812 CA PRO A 48 11.059 -5.709 3.423 1.00 0.00 C -ATOM 813 C PRO A 48 10.499 -4.373 2.898 1.00 0.00 C -ATOM 814 O PRO A 48 9.745 -4.341 1.899 1.00 0.00 O -ATOM 815 CB PRO A 48 11.442 -6.636 2.260 1.00 0.00 C -ATOM 816 CG PRO A 48 10.301 -7.577 2.129 1.00 0.00 C -ATOM 817 CD PRO A 48 9.747 -7.758 3.511 1.00 0.00 C -ATOM 818 HA PRO A 48 11.933 -5.501 4.022 1.00 0.00 H -ATOM 819 HB2 PRO A 48 11.583 -6.055 1.362 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.354 -7.165 2.495 1.00 0.00 H -ATOM 821 HG2 PRO A 48 9.552 -7.150 1.478 1.00 0.00 H -ATOM 822 HG3 PRO A 48 10.648 -8.521 1.736 1.00 0.00 H -ATOM 823 HD2 PRO A 48 8.677 -7.899 3.467 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.220 -8.594 4.005 1.00 0.00 H -ATOM 825 N ASP A 49 10.812 -3.296 3.628 1.00 0.00 N -ATOM 826 CA ASP A 49 10.462 -1.900 3.265 1.00 0.00 C -ATOM 827 C ASP A 49 8.959 -1.708 3.158 1.00 0.00 C -ATOM 828 O ASP A 49 8.497 -0.868 2.397 1.00 0.00 O -ATOM 829 CB ASP A 49 11.096 -1.479 1.914 1.00 0.00 C -ATOM 830 CG ASP A 49 12.599 -1.576 1.860 1.00 0.00 C -ATOM 831 OD1 ASP A 49 13.300 -0.740 2.471 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.118 -2.493 1.186 1.00 0.00 O -ATOM 833 H ASP A 49 11.296 -3.444 4.471 1.00 0.00 H -ATOM 834 HA ASP A 49 10.842 -1.250 4.038 1.00 0.00 H -ATOM 835 HB2 ASP A 49 10.698 -2.108 1.134 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.811 -0.457 1.707 1.00 0.00 H -ATOM 837 N CYS A 50 8.192 -2.428 3.940 1.00 0.00 N -ATOM 838 CA CYS A 50 6.760 -2.330 3.811 1.00 0.00 C -ATOM 839 C CYS A 50 6.184 -1.427 4.882 1.00 0.00 C -ATOM 840 O CYS A 50 6.623 -1.451 6.029 1.00 0.00 O -ATOM 841 CB CYS A 50 6.127 -3.713 3.868 1.00 0.00 C -ATOM 842 SG CYS A 50 6.785 -4.871 2.637 1.00 0.00 S -ATOM 843 H CYS A 50 8.585 -2.998 4.634 1.00 0.00 H -ATOM 844 HA CYS A 50 6.542 -1.891 2.851 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.298 -4.138 4.845 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.064 -3.623 3.700 1.00 0.00 H -ATOM 847 HG CYS A 50 7.974 -4.416 2.255 1.00 0.00 H -ATOM 848 N TYR A 51 5.203 -0.655 4.496 1.00 0.00 N -ATOM 849 CA TYR A 51 4.551 0.306 5.352 1.00 0.00 C -ATOM 850 C TYR A 51 3.055 0.120 5.198 1.00 0.00 C -ATOM 851 O TYR A 51 2.597 -0.454 4.192 1.00 0.00 O -ATOM 852 CB TYR A 51 4.903 1.755 4.938 1.00 0.00 C -ATOM 853 CG TYR A 51 6.379 2.144 4.944 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.277 1.594 4.041 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.858 3.092 5.828 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.602 1.970 4.023 1.00 0.00 C -ATOM 857 CE2 TYR A 51 8.187 3.473 5.815 1.00 0.00 C -ATOM 858 CZ TYR A 51 9.052 2.906 4.911 1.00 0.00 C -ATOM 859 OH TYR A 51 10.375 3.284 4.893 1.00 0.00 O -ATOM 860 H TYR A 51 4.872 -0.729 3.572 1.00 0.00 H -ATOM 861 HA TYR A 51 4.849 0.137 6.376 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.536 1.927 3.937 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.385 2.423 5.612 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.922 0.851 3.342 1.00 0.00 H -ATOM 865 HD2 TYR A 51 6.179 3.539 6.539 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.278 1.524 3.310 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.542 4.214 6.516 1.00 0.00 H -ATOM 868 HH TYR A 51 10.644 3.328 3.968 1.00 0.00 H -ATOM 869 N LYS A 52 2.300 0.599 6.150 1.00 0.00 N -ATOM 870 CA LYS A 52 0.858 0.483 6.109 1.00 0.00 C -ATOM 871 C LYS A 52 0.185 1.819 6.376 1.00 0.00 C -ATOM 872 O LYS A 52 0.703 2.661 7.123 1.00 0.00 O -ATOM 873 CB LYS A 52 0.365 -0.550 7.136 1.00 0.00 C -ATOM 874 CG LYS A 52 0.827 -0.258 8.558 1.00 0.00 C -ATOM 875 CD LYS A 52 0.280 -1.256 9.560 1.00 0.00 C -ATOM 876 CE LYS A 52 0.991 -1.108 10.892 1.00 0.00 C -ATOM 877 NZ LYS A 52 0.461 -2.018 11.924 1.00 0.00 N -ATOM 878 H LYS A 52 2.721 1.052 6.913 1.00 0.00 H -ATOM 879 HA LYS A 52 0.578 0.140 5.124 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.714 -0.566 7.126 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.733 -1.525 6.853 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.906 -0.281 8.592 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.482 0.731 8.823 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -0.775 -1.073 9.701 1.00 0.00 H -ATOM 885 HD3 LYS A 52 0.431 -2.259 9.190 1.00 0.00 H -ATOM 886 HE2 LYS A 52 2.039 -1.328 10.746 1.00 0.00 H -ATOM 887 HE3 LYS A 52 0.889 -0.086 11.224 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 1.028 -1.926 12.793 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 0.474 -3.019 11.642 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 -0.510 -1.738 12.165 1.00 0.00 H -ATOM 891 N ILE A 53 -0.938 2.015 5.749 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.786 3.155 5.999 1.00 0.00 C -ATOM 893 C ILE A 53 -3.158 2.625 6.346 1.00 0.00 C -ATOM 894 O ILE A 53 -3.605 1.635 5.755 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.898 4.120 4.767 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.527 4.714 4.409 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -2.920 5.242 5.029 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.552 5.662 3.224 1.00 0.00 C -ATOM 899 H ILE A 53 -1.227 1.354 5.079 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.386 3.690 6.848 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.258 3.538 3.930 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.154 5.267 5.257 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.159 3.910 4.182 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -2.963 5.903 4.177 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.635 5.809 5.901 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.901 4.821 5.195 1.00 0.00 H -ATOM 907 HD11 ILE A 53 0.451 6.005 3.018 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -1.172 6.512 3.466 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -0.953 5.156 2.357 1.00 0.00 H -ATOM 910 N LYS A 54 -3.799 3.229 7.308 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.129 2.840 7.661 1.00 0.00 C -ATOM 912 C LYS A 54 -6.080 3.972 7.347 1.00 0.00 C -ATOM 913 O LYS A 54 -5.816 5.139 7.678 1.00 0.00 O -ATOM 914 CB LYS A 54 -5.293 2.347 9.130 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.996 3.367 10.220 1.00 0.00 C -ATOM 916 CD LYS A 54 -3.512 3.586 10.427 1.00 0.00 C -ATOM 917 CE LYS A 54 -3.289 4.777 11.303 1.00 0.00 C -ATOM 918 NZ LYS A 54 -1.860 5.025 11.563 1.00 0.00 N -ATOM 919 H LYS A 54 -3.378 3.992 7.757 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.363 2.028 6.992 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -6.310 2.013 9.266 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.637 1.500 9.272 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -5.449 4.308 9.945 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -5.432 3.021 11.146 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -3.096 2.715 10.912 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -3.013 3.741 9.484 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -3.710 5.621 10.777 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -3.818 4.624 12.231 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -1.336 5.155 10.675 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -1.451 4.238 12.109 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -1.768 5.884 12.142 1.00 0.00 H -ATOM 932 N LEU A 55 -7.145 3.650 6.674 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.119 4.622 6.294 1.00 0.00 C -ATOM 934 C LEU A 55 -8.993 4.977 7.468 1.00 0.00 C -ATOM 935 O LEU A 55 -9.952 4.252 7.809 1.00 0.00 O -ATOM 936 CB LEU A 55 -8.946 4.159 5.082 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.951 5.166 4.508 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -9.291 6.512 4.291 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -10.498 4.631 3.196 1.00 0.00 C -ATOM 940 H LEU A 55 -7.267 2.705 6.424 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.560 5.502 6.013 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.257 3.892 4.296 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.488 3.271 5.374 1.00 0.00 H -ATOM 944 HG LEU A 55 -10.792 5.353 5.154 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -8.810 6.823 5.206 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -10.060 7.238 4.081 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -8.565 6.458 3.493 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.243 5.313 2.814 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -10.942 3.660 3.359 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -9.692 4.546 2.483 1.00 0.00 H -ATOM 951 N ARG A 56 -8.614 6.066 8.101 1.00 0.00 N -ATOM 952 CA ARG A 56 -9.273 6.629 9.262 1.00 0.00 C -ATOM 953 C ARG A 56 -10.648 7.179 8.871 1.00 0.00 C -ATOM 954 O ARG A 56 -10.807 8.385 8.647 1.00 0.00 O -ATOM 955 CB ARG A 56 -8.390 7.749 9.837 1.00 0.00 C -ATOM 956 CG ARG A 56 -6.982 7.299 10.239 1.00 0.00 C -ATOM 957 CD ARG A 56 -6.063 8.491 10.517 1.00 0.00 C -ATOM 958 NE ARG A 56 -6.600 9.387 11.542 1.00 0.00 N -ATOM 959 CZ ARG A 56 -6.337 10.700 11.631 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -5.404 11.258 10.860 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -6.969 11.441 12.529 1.00 0.00 N -ATOM 962 H ARG A 56 -7.809 6.510 7.759 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.388 5.855 10.007 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -8.290 8.518 9.086 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -8.874 8.170 10.707 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -7.047 6.688 11.126 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -6.566 6.714 9.432 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -5.104 8.120 10.850 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -5.931 9.045 9.599 1.00 0.00 H -ATOM 970 HE ARG A 56 -7.216 8.949 12.171 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -4.863 10.733 10.197 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -5.199 12.240 10.919 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -7.648 11.082 13.172 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -6.789 12.429 12.594 1.00 0.00 H -ATOM 975 N SER A 57 -11.599 6.268 8.740 1.00 0.00 N -ATOM 976 CA SER A 57 -12.963 6.534 8.318 1.00 0.00 C -ATOM 977 C SER A 57 -13.667 5.187 8.125 1.00 0.00 C -ATOM 978 O SER A 57 -14.744 4.951 8.659 1.00 0.00 O -ATOM 979 CB SER A 57 -12.990 7.328 6.974 1.00 0.00 C -ATOM 980 OG SER A 57 -14.309 7.689 6.588 1.00 0.00 O -ATOM 981 H SER A 57 -11.372 5.341 8.972 1.00 0.00 H -ATOM 982 HA SER A 57 -13.460 7.101 9.090 1.00 0.00 H -ATOM 983 HB2 SER A 57 -12.409 8.231 7.083 1.00 0.00 H -ATOM 984 HB3 SER A 57 -12.553 6.716 6.197 1.00 0.00 H -ATOM 985 HG SER A 57 -14.709 8.147 7.338 1.00 0.00 H -ATOM 986 N SER A 58 -13.028 4.293 7.383 1.00 0.00 N -ATOM 987 CA SER A 58 -13.633 3.015 7.061 1.00 0.00 C -ATOM 988 C SER A 58 -12.927 1.835 7.752 1.00 0.00 C -ATOM 989 O SER A 58 -13.533 0.790 7.965 1.00 0.00 O -ATOM 990 CB SER A 58 -13.663 2.837 5.543 1.00 0.00 C -ATOM 991 OG SER A 58 -14.294 3.957 4.925 1.00 0.00 O -ATOM 992 H SER A 58 -12.143 4.510 7.025 1.00 0.00 H -ATOM 993 HA SER A 58 -14.652 3.042 7.416 1.00 0.00 H -ATOM 994 HB2 SER A 58 -12.651 2.759 5.173 1.00 0.00 H -ATOM 995 HB3 SER A 58 -14.214 1.943 5.294 1.00 0.00 H -ATOM 996 HG SER A 58 -14.993 4.258 5.522 1.00 0.00 H -ATOM 997 N GLY A 59 -11.666 2.008 8.121 1.00 0.00 N -ATOM 998 CA GLY A 59 -10.949 0.927 8.788 1.00 0.00 C -ATOM 999 C GLY A 59 -10.233 0.014 7.812 1.00 0.00 C -ATOM 1000 O GLY A 59 -9.879 -1.129 8.140 1.00 0.00 O -ATOM 1001 H GLY A 59 -11.210 2.866 7.980 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.222 1.353 9.465 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.656 0.342 9.358 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.026 0.500 6.615 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.308 -0.251 5.609 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.833 0.012 5.721 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.426 1.067 6.173 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.824 0.058 4.200 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.094 -0.677 3.856 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.309 -0.331 4.429 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.072 -1.732 2.959 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.462 -1.018 4.116 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.216 -2.420 2.639 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.405 -2.062 3.219 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.538 -2.755 2.912 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.345 1.401 6.409 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.476 -1.298 5.818 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.031 1.115 4.118 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.069 -0.216 3.477 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.344 0.490 5.130 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.132 -2.013 2.505 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.401 -0.740 4.569 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.178 -3.239 1.937 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.214 -2.105 2.688 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.045 -0.950 5.357 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.613 -0.844 5.420 1.00 0.00 C -ATOM 1027 C ARG A 61 -5.025 -1.093 4.061 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.572 -1.860 3.256 1.00 0.00 O -ATOM 1029 CB ARG A 61 -4.981 -1.824 6.434 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.086 -1.443 7.916 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.505 -1.480 8.468 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.506 -1.191 9.902 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -7.392 -1.636 10.793 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -8.544 -2.168 10.396 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.158 -1.463 12.085 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.416 -1.773 4.964 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.373 0.165 5.717 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.460 -2.785 6.313 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -3.936 -1.935 6.184 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.486 -2.130 8.493 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -4.688 -0.446 8.038 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -7.101 -0.738 7.954 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.926 -2.461 8.304 1.00 0.00 H -ATOM 1044 HE ARG A 61 -5.725 -0.673 10.209 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -8.795 -2.232 9.428 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -9.211 -2.548 11.043 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -6.326 -0.998 12.400 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -7.788 -1.803 12.787 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.948 -0.448 3.800 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.253 -0.595 2.567 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.782 -0.798 2.892 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.209 -0.039 3.687 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.529 0.650 1.683 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.977 0.662 0.248 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.704 1.703 -0.572 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.509 0.994 0.242 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.586 0.173 4.470 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.629 -1.480 2.075 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.599 0.773 1.621 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.130 1.509 2.203 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.115 -0.307 -0.209 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.290 1.717 -1.569 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.585 2.673 -0.112 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -4.752 1.448 -0.621 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -0.962 0.236 0.786 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.373 1.950 0.728 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.153 1.048 -0.775 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.199 -1.832 2.323 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.180 -2.195 2.578 1.00 0.00 C -ATOM 1070 C VAL A 63 0.999 -2.067 1.302 1.00 0.00 C -ATOM 1071 O VAL A 63 0.645 -2.636 0.247 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.292 -3.645 3.138 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.746 -4.063 3.315 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.437 -3.755 4.464 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.701 -2.377 1.674 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.573 -1.508 3.314 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.177 -4.320 2.438 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.247 -4.061 2.358 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 1.783 -5.054 3.746 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 2.238 -3.369 3.980 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -1.479 -3.509 4.322 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 0.001 -3.069 5.173 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -0.351 -4.763 4.839 1.00 0.00 H -ATOM 1084 N TYR A 64 2.074 -1.342 1.393 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.928 -1.102 0.265 1.00 0.00 C -ATOM 1086 C TYR A 64 4.382 -1.201 0.664 1.00 0.00 C -ATOM 1087 O TYR A 64 4.705 -1.101 1.838 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.628 0.275 -0.374 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.711 1.475 0.556 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 3.913 1.903 1.100 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.582 2.195 0.852 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 3.968 3.005 1.915 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.628 3.292 1.663 1.00 0.00 C -ATOM 1094 CZ TYR A 64 2.826 3.695 2.195 1.00 0.00 C -ATOM 1095 OH TYR A 64 2.878 4.785 3.014 1.00 0.00 O -ATOM 1096 H TYR A 64 2.324 -0.966 2.268 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.722 -1.868 -0.466 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.301 0.456 -1.197 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.620 0.246 -0.761 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.815 1.351 0.880 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.639 1.880 0.433 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 4.914 3.324 2.326 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.716 3.831 1.870 1.00 0.00 H -ATOM 1104 HH TYR A 64 2.155 4.734 3.645 1.00 0.00 H -ATOM 1105 N GLN A 65 5.231 -1.429 -0.290 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.649 -1.430 -0.061 1.00 0.00 C -ATOM 1107 C GLN A 65 7.251 -0.202 -0.707 1.00 0.00 C -ATOM 1108 O GLN A 65 6.942 0.118 -1.857 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.325 -2.721 -0.575 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.064 -3.037 -2.046 1.00 0.00 C -ATOM 1111 CD GLN A 65 7.791 -4.280 -2.548 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 8.117 -4.382 -3.729 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 8.057 -5.223 -1.673 1.00 0.00 N -ATOM 1114 H GLN A 65 4.897 -1.578 -1.204 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.806 -1.344 1.003 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.392 -2.625 -0.439 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.975 -3.550 0.020 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.003 -3.179 -2.189 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.390 -2.189 -2.629 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 7.782 -5.098 -0.743 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 8.532 -6.013 -2.008 1.00 0.00 H -ATOM 1122 N VAL A 66 8.041 0.512 0.027 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.684 1.672 -0.511 1.00 0.00 C -ATOM 1124 C VAL A 66 10.084 1.288 -0.878 1.00 0.00 C -ATOM 1125 O VAL A 66 10.925 1.041 -0.011 1.00 0.00 O -ATOM 1126 CB VAL A 66 8.712 2.849 0.500 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.434 4.058 -0.074 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.311 3.237 0.912 1.00 0.00 C -ATOM 1129 H VAL A 66 8.228 0.229 0.951 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.153 1.975 -1.401 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.243 2.523 1.382 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 8.934 4.386 -0.972 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 10.452 3.789 -0.310 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.432 4.858 0.652 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.360 4.048 1.624 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 6.827 2.386 1.367 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 6.747 3.549 0.048 1.00 0.00 H -ATOM 1138 N ILE A 67 10.342 1.248 -2.142 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.624 0.865 -2.621 1.00 0.00 C -ATOM 1140 C ILE A 67 12.379 2.127 -2.941 1.00 0.00 C -ATOM 1141 O ILE A 67 12.137 2.755 -3.972 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.515 -0.007 -3.896 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.493 -1.139 -3.683 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.887 -0.600 -4.230 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 10.183 -1.935 -4.935 1.00 0.00 C -ATOM 1146 H ILE A 67 9.644 1.501 -2.789 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.135 0.312 -1.848 1.00 0.00 H -ATOM 1148 HB ILE A 67 11.193 0.615 -4.718 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.876 -1.827 -2.944 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.570 -0.711 -3.322 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 13.595 0.199 -4.395 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 12.812 -1.208 -5.120 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.223 -1.214 -3.408 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 9.474 -2.715 -4.700 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 11.093 -2.373 -5.316 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 9.762 -1.279 -5.682 1.00 0.00 H -ATOM 1157 N ASP A 68 13.252 2.518 -2.047 1.00 0.00 N -ATOM 1158 CA ASP A 68 14.031 3.736 -2.181 1.00 0.00 C -ATOM 1159 C ASP A 68 14.956 3.682 -3.371 1.00 0.00 C -ATOM 1160 O ASP A 68 15.177 4.703 -4.036 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.843 4.027 -0.920 1.00 0.00 C -ATOM 1162 CG ASP A 68 14.017 4.522 0.241 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 13.733 5.750 0.299 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 13.664 3.710 1.135 1.00 0.00 O -ATOM 1165 H ASP A 68 13.401 1.961 -1.254 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.336 4.549 -2.329 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 15.351 3.125 -0.615 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.580 4.772 -1.166 1.00 0.00 H -ATOM 1169 N GLU A 69 15.476 2.493 -3.663 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.391 2.303 -4.789 1.00 0.00 C -ATOM 1171 C GLU A 69 15.706 2.578 -6.120 1.00 0.00 C -ATOM 1172 O GLU A 69 16.307 3.132 -7.033 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.978 0.892 -4.807 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.751 0.523 -3.563 1.00 0.00 C -ATOM 1175 CD GLU A 69 18.484 -0.785 -3.706 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 17.861 -1.849 -3.602 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 19.718 -0.757 -3.934 1.00 0.00 O -ATOM 1178 H GLU A 69 15.258 1.734 -3.076 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.199 3.009 -4.674 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 16.172 0.182 -4.919 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.639 0.804 -5.657 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 18.469 1.303 -3.365 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 17.071 0.452 -2.729 1.00 0.00 H -ATOM 1184 N LYS A 70 14.450 2.205 -6.214 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.694 2.374 -7.448 1.00 0.00 C -ATOM 1186 C LYS A 70 12.834 3.633 -7.379 1.00 0.00 C -ATOM 1187 O LYS A 70 12.212 4.030 -8.361 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.825 1.138 -7.695 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.611 -0.157 -7.838 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.684 -1.356 -7.997 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.469 -2.659 -8.091 1.00 0.00 C -ATOM 1192 NZ LYS A 70 12.582 -3.834 -8.259 1.00 0.00 N -ATOM 1193 H LYS A 70 14.017 1.812 -5.428 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.400 2.475 -8.259 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.164 1.021 -6.849 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.239 1.284 -8.589 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.244 -0.088 -8.711 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.221 -0.295 -6.958 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 12.018 -1.402 -7.148 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.104 -1.227 -8.898 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 14.151 -2.602 -8.925 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 14.039 -2.778 -7.181 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 13.148 -4.687 -8.448 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 11.908 -3.722 -9.040 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 12.048 -4.019 -7.385 1.00 0.00 H -ATOM 1206 N VAL A 71 12.815 4.247 -6.188 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.083 5.495 -5.891 1.00 0.00 C -ATOM 1208 C VAL A 71 10.556 5.280 -6.110 1.00 0.00 C -ATOM 1209 O VAL A 71 9.798 6.197 -6.416 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.639 6.699 -6.750 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 12.093 8.049 -6.278 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.163 6.721 -6.716 1.00 0.00 C -ATOM 1213 H VAL A 71 13.321 3.830 -5.460 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.239 5.701 -4.841 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.329 6.550 -7.774 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 12.510 8.836 -6.887 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.365 8.209 -5.245 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 11.018 8.051 -6.373 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.524 7.538 -7.322 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.544 5.787 -7.102 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.495 6.852 -5.697 1.00 0.00 H -ATOM 1222 N VAL A 72 10.102 4.084 -5.850 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.723 3.758 -6.101 1.00 0.00 C -ATOM 1224 C VAL A 72 8.080 3.116 -4.881 1.00 0.00 C -ATOM 1225 O VAL A 72 8.707 2.326 -4.159 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.551 2.843 -7.375 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.248 1.505 -7.212 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.080 2.638 -7.741 1.00 0.00 C -ATOM 1229 H VAL A 72 10.690 3.419 -5.433 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.210 4.691 -6.288 1.00 0.00 H -ATOM 1231 HB VAL A 72 9.036 3.349 -8.198 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 10.300 1.677 -7.052 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 9.106 0.918 -8.107 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 8.832 0.983 -6.363 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.620 3.591 -7.952 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.568 2.171 -6.913 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 7.011 2.002 -8.611 1.00 0.00 H -ATOM 1238 N VAL A 73 6.877 3.518 -4.633 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.047 2.962 -3.627 1.00 0.00 C -ATOM 1240 C VAL A 73 5.150 1.959 -4.332 1.00 0.00 C -ATOM 1241 O VAL A 73 4.344 2.322 -5.201 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.187 4.065 -2.960 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.294 3.492 -1.887 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.063 5.169 -2.391 1.00 0.00 C -ATOM 1245 H VAL A 73 6.492 4.243 -5.172 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.654 2.464 -2.887 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.563 4.498 -3.728 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 4.896 3.018 -1.126 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 3.629 2.762 -2.326 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.710 4.283 -1.441 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 5.444 5.910 -1.906 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 6.611 5.636 -3.196 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 6.760 4.755 -1.679 1.00 0.00 H -ATOM 1254 N PHE A 74 5.315 0.728 -3.999 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.629 -0.337 -4.662 1.00 0.00 C -ATOM 1256 C PHE A 74 3.610 -0.961 -3.723 1.00 0.00 C -ATOM 1257 O PHE A 74 3.974 -1.590 -2.730 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.673 -1.360 -5.126 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.151 -2.506 -5.931 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.757 -2.319 -7.241 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 5.091 -3.778 -5.391 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.310 -3.376 -7.998 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.642 -4.837 -6.140 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.251 -4.636 -7.447 1.00 0.00 C -ATOM 1265 H PHE A 74 5.928 0.511 -3.262 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.126 0.062 -5.530 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.410 -0.855 -5.732 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.165 -1.761 -4.254 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 4.800 -1.330 -7.671 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.397 -3.935 -4.367 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.004 -3.216 -9.021 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.595 -5.823 -5.705 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.901 -5.469 -8.040 1.00 0.00 H -ATOM 1274 N VAL A 75 2.348 -0.754 -4.019 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.262 -1.280 -3.212 1.00 0.00 C -ATOM 1276 C VAL A 75 1.134 -2.760 -3.467 1.00 0.00 C -ATOM 1277 O VAL A 75 0.925 -3.175 -4.596 1.00 0.00 O -ATOM 1278 CB VAL A 75 -0.082 -0.572 -3.526 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.213 -1.117 -2.654 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.053 0.934 -3.354 1.00 0.00 C -ATOM 1281 H VAL A 75 2.144 -0.246 -4.838 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.509 -1.132 -2.173 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.334 -0.775 -4.556 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.337 -2.173 -2.848 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -2.136 -0.601 -2.875 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -0.965 -0.979 -1.613 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.361 1.162 -2.344 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 -0.896 1.406 -3.557 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.793 1.306 -4.048 1.00 0.00 H -ATOM 1290 N ILE A 76 1.253 -3.540 -2.428 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.238 -4.977 -2.571 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.150 -5.522 -2.263 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.663 -6.408 -2.952 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.245 -5.649 -1.601 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.627 -4.995 -1.700 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.358 -7.135 -1.922 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.623 -5.533 -0.689 1.00 0.00 C -ATOM 1298 H ILE A 76 1.340 -3.146 -1.533 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.514 -5.232 -3.583 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.871 -5.543 -0.594 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.032 -5.168 -2.685 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.526 -3.931 -1.536 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 2.686 -7.255 -2.943 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 1.395 -7.608 -1.800 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 3.079 -7.591 -1.260 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 4.741 -6.597 -0.830 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.264 -5.339 0.312 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 5.576 -5.045 -0.827 1.00 0.00 H -ATOM 1309 N SER A 77 -0.763 -4.996 -1.230 1.00 0.00 N -ATOM 1310 CA SER A 77 -2.042 -5.490 -0.790 1.00 0.00 C -ATOM 1311 C SER A 77 -2.894 -4.363 -0.243 1.00 0.00 C -ATOM 1312 O SER A 77 -2.371 -3.372 0.283 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.828 -6.559 0.274 1.00 0.00 C -ATOM 1314 OG SER A 77 -1.010 -7.592 -0.235 1.00 0.00 O -ATOM 1315 H SER A 77 -0.367 -4.247 -0.735 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.541 -5.942 -1.633 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.342 -6.118 1.132 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.780 -6.977 0.566 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.841 -7.400 -1.166 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.185 -4.503 -0.381 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.118 -3.520 0.085 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.422 -4.226 0.493 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.767 -5.267 -0.082 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.369 -2.439 -1.020 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -6.014 -3.022 -2.266 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.166 -1.278 -0.491 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.566 -5.304 -0.799 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.692 -3.046 0.956 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.397 -2.072 -1.317 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -6.168 -2.239 -2.993 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -6.966 -3.462 -2.007 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -5.369 -3.781 -2.685 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.626 -0.822 0.325 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -7.129 -1.624 -0.143 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.302 -0.550 -1.277 1.00 0.00 H -ATOM 1336 N GLY A 79 -7.085 -3.715 1.509 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.338 -4.283 1.956 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.508 -4.069 3.434 1.00 0.00 C -ATOM 1339 O GLY A 79 -8.098 -3.044 3.953 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.718 -2.949 2.008 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -9.152 -3.807 1.427 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.353 -5.342 1.750 1.00 0.00 H -ATOM 1343 N LYS A 80 -9.103 -4.998 4.123 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.219 -4.872 5.554 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.136 -5.680 6.216 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.535 -6.564 5.597 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.578 -5.321 6.081 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.768 -4.559 5.517 1.00 0.00 C -ATOM 1349 CD LYS A 80 -13.055 -4.902 6.264 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.334 -6.401 6.285 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -13.532 -6.965 4.934 1.00 0.00 N -ATOM 1352 H LYS A 80 -9.455 -5.794 3.671 1.00 0.00 H -ATOM 1353 HA LYS A 80 -9.068 -3.831 5.799 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.703 -6.364 5.832 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.585 -5.218 7.155 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.580 -3.500 5.610 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.888 -4.815 4.474 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -12.973 -4.550 7.281 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.878 -4.398 5.778 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -12.506 -6.907 6.757 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -14.225 -6.566 6.870 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -12.725 -6.769 4.309 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -14.390 -6.582 4.488 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -13.636 -7.997 5.003 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.896 -5.396 7.459 1.00 0.00 N -ATOM 1366 CA ALA A 81 -6.901 -6.086 8.211 1.00 0.00 C -ATOM 1367 C ALA A 81 -7.481 -6.502 9.531 1.00 0.00 C -ATOM 1368 O ALA A 81 -7.802 -5.661 10.366 1.00 0.00 O -ATOM 1369 CB ALA A 81 -5.681 -5.210 8.418 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.419 -4.708 7.919 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.606 -6.964 7.658 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -5.951 -4.344 9.003 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -5.302 -4.894 7.458 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -4.918 -5.773 8.934 1.00 0.00 H -ATOM 1375 N GLU A 82 -7.695 -7.780 9.685 1.00 0.00 N -ATOM 1376 CA GLU A 82 -8.193 -8.292 10.925 1.00 0.00 C -ATOM 1377 C GLU A 82 -6.974 -8.729 11.737 1.00 0.00 C -ATOM 1378 O GLU A 82 -6.598 -8.085 12.732 1.00 0.00 O -ATOM 1379 CB GLU A 82 -9.164 -9.464 10.659 1.00 0.00 C -ATOM 1380 CG GLU A 82 -10.234 -9.691 11.733 1.00 0.00 C -ATOM 1381 CD GLU A 82 -9.688 -9.988 13.099 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -9.429 -11.171 13.403 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -9.530 -9.046 13.898 1.00 0.00 O -ATOM 1384 H GLU A 82 -7.530 -8.391 8.940 1.00 0.00 H -ATOM 1385 HA GLU A 82 -8.698 -7.497 11.446 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -9.671 -9.279 9.723 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -8.587 -10.370 10.564 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -10.837 -8.798 11.808 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -10.862 -10.513 11.424 1.00 0.00 H -ATOM 1390 N ALA A 83 -6.319 -9.766 11.270 1.00 0.00 N -ATOM 1391 CA ALA A 83 -5.119 -10.251 11.912 1.00 0.00 C -ATOM 1392 C ALA A 83 -3.968 -10.425 10.916 1.00 0.00 C -ATOM 1393 O ALA A 83 -2.928 -9.786 11.045 1.00 0.00 O -ATOM 1394 CB ALA A 83 -5.397 -11.548 12.648 1.00 0.00 C -ATOM 1395 H ALA A 83 -6.679 -10.240 10.492 1.00 0.00 H -ATOM 1396 HA ALA A 83 -4.822 -9.511 12.640 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -4.518 -11.853 13.196 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -5.656 -12.318 11.936 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -6.217 -11.402 13.336 1.00 0.00 H -ATOM 1400 N SER A 84 -4.155 -11.261 9.914 1.00 0.00 N -ATOM 1401 CA SER A 84 -3.069 -11.556 8.996 1.00 0.00 C -ATOM 1402 C SER A 84 -3.477 -11.304 7.523 1.00 0.00 C -ATOM 1403 O SER A 84 -2.710 -11.594 6.598 1.00 0.00 O -ATOM 1404 CB SER A 84 -2.622 -13.020 9.221 1.00 0.00 C -ATOM 1405 OG SER A 84 -1.436 -13.349 8.511 1.00 0.00 O -ATOM 1406 H SER A 84 -5.016 -11.722 9.808 1.00 0.00 H -ATOM 1407 HA SER A 84 -2.243 -10.909 9.248 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -2.443 -13.180 10.274 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -3.415 -13.677 8.897 1.00 0.00 H -ATOM 1410 HG SER A 84 -1.330 -14.305 8.596 1.00 0.00 H -ATOM 1411 N GLU A 85 -4.631 -10.659 7.324 1.00 0.00 N -ATOM 1412 CA GLU A 85 -5.211 -10.460 5.984 1.00 0.00 C -ATOM 1413 C GLU A 85 -4.272 -9.708 5.025 1.00 0.00 C -ATOM 1414 O GLU A 85 -3.961 -10.191 3.948 1.00 0.00 O -ATOM 1415 CB GLU A 85 -6.497 -9.654 6.106 1.00 0.00 C -ATOM 1416 CG GLU A 85 -7.565 -10.280 6.973 1.00 0.00 C -ATOM 1417 CD GLU A 85 -7.965 -11.648 6.489 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -8.468 -11.763 5.368 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -7.801 -12.625 7.235 1.00 0.00 O -ATOM 1420 H GLU A 85 -5.127 -10.326 8.097 1.00 0.00 H -ATOM 1421 HA GLU A 85 -5.460 -11.423 5.568 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -6.256 -8.685 6.516 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -6.899 -9.521 5.115 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -7.189 -10.356 7.981 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -8.437 -9.642 6.966 1.00 0.00 H -ATOM 1426 N VAL A 86 -3.779 -8.565 5.450 1.00 0.00 N -ATOM 1427 CA VAL A 86 -2.929 -7.749 4.584 1.00 0.00 C -ATOM 1428 C VAL A 86 -1.468 -8.118 4.726 1.00 0.00 C -ATOM 1429 O VAL A 86 -0.623 -7.630 3.996 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.111 -6.226 4.837 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -4.515 -5.776 4.462 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -2.805 -5.872 6.292 1.00 0.00 C -ATOM 1433 H VAL A 86 -3.988 -8.245 6.350 1.00 0.00 H -ATOM 1434 HA VAL A 86 -3.226 -7.959 3.567 1.00 0.00 H -ATOM 1435 HB VAL A 86 -2.412 -5.701 4.204 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -4.617 -4.717 4.650 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -5.237 -6.317 5.057 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -4.692 -5.974 3.416 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -1.786 -6.146 6.522 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -3.477 -6.412 6.941 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -2.935 -4.809 6.438 1.00 0.00 H -ATOM 1442 N TYR A 87 -1.183 -8.988 5.659 1.00 0.00 N -ATOM 1443 CA TYR A 87 0.178 -9.385 5.908 1.00 0.00 C -ATOM 1444 C TYR A 87 0.535 -10.568 5.043 1.00 0.00 C -ATOM 1445 O TYR A 87 1.588 -10.587 4.414 1.00 0.00 O -ATOM 1446 CB TYR A 87 0.404 -9.689 7.392 1.00 0.00 C -ATOM 1447 CG TYR A 87 0.196 -8.490 8.302 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 1.218 -7.578 8.525 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 -1.019 -8.272 8.934 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 1.034 -6.484 9.351 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 -1.211 -7.183 9.762 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -0.184 -6.291 9.971 1.00 0.00 C -ATOM 1453 OH TYR A 87 -0.380 -5.193 10.801 1.00 0.00 O -ATOM 1454 H TYR A 87 -1.914 -9.394 6.168 1.00 0.00 H -ATOM 1455 HA TYR A 87 0.809 -8.557 5.621 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 -0.284 -10.462 7.700 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 1.415 -10.042 7.530 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 2.171 -7.729 8.038 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 -1.828 -8.969 8.773 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 1.846 -5.791 9.504 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 -2.167 -7.035 10.242 1.00 0.00 H -ATOM 1462 HH TYR A 87 -0.668 -5.513 11.667 1.00 0.00 H -ATOM 1463 N SER A 88 -0.367 -11.533 4.977 1.00 0.00 N -ATOM 1464 CA SER A 88 -0.154 -12.710 4.175 1.00 0.00 C -ATOM 1465 C SER A 88 -0.087 -12.383 2.695 1.00 0.00 C -ATOM 1466 O SER A 88 0.866 -12.769 2.036 1.00 0.00 O -ATOM 1467 CB SER A 88 -1.205 -13.762 4.468 1.00 0.00 C -ATOM 1468 OG SER A 88 -1.106 -14.187 5.822 1.00 0.00 O -ATOM 1469 H SER A 88 -1.203 -11.462 5.489 1.00 0.00 H -ATOM 1470 HA SER A 88 0.809 -13.113 4.452 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -2.184 -13.340 4.299 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -1.056 -14.614 3.821 1.00 0.00 H -ATOM 1473 HG SER A 88 -1.697 -13.642 6.359 1.00 0.00 H -ATOM 1474 N GLU A 89 -1.043 -11.597 2.194 1.00 0.00 N -ATOM 1475 CA GLU A 89 -1.074 -11.259 0.766 1.00 0.00 C -ATOM 1476 C GLU A 89 0.203 -10.518 0.365 1.00 0.00 C -ATOM 1477 O GLU A 89 0.708 -10.684 -0.754 1.00 0.00 O -ATOM 1478 CB GLU A 89 -2.302 -10.400 0.425 1.00 0.00 C -ATOM 1479 CG GLU A 89 -3.652 -11.037 0.727 1.00 0.00 C -ATOM 1480 CD GLU A 89 -3.876 -12.323 -0.016 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -4.079 -12.295 -1.248 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -3.874 -13.393 0.614 1.00 0.00 O -ATOM 1483 H GLU A 89 -1.747 -11.243 2.778 1.00 0.00 H -ATOM 1484 HA GLU A 89 -1.109 -12.175 0.196 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -2.242 -9.479 0.986 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -2.269 -10.161 -0.628 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -3.709 -11.243 1.786 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -4.433 -10.342 0.457 1.00 0.00 H -ATOM 1489 N ALA A 90 0.744 -9.763 1.305 1.00 0.00 N -ATOM 1490 CA ALA A 90 1.944 -9.013 1.078 1.00 0.00 C -ATOM 1491 C ALA A 90 3.172 -9.915 1.088 1.00 0.00 C -ATOM 1492 O ALA A 90 3.919 -9.960 0.113 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.082 -7.894 2.100 1.00 0.00 C -ATOM 1494 H ALA A 90 0.307 -9.709 2.179 1.00 0.00 H -ATOM 1495 HA ALA A 90 1.856 -8.564 0.100 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 2.198 -8.320 3.085 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 1.197 -7.275 2.079 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 2.948 -7.292 1.864 1.00 0.00 H -ATOM 1499 N VAL A 91 3.355 -10.678 2.163 1.00 0.00 N -ATOM 1500 CA VAL A 91 4.552 -11.515 2.317 1.00 0.00 C -ATOM 1501 C VAL A 91 4.640 -12.606 1.235 1.00 0.00 C -ATOM 1502 O VAL A 91 5.734 -12.967 0.794 1.00 0.00 O -ATOM 1503 CB VAL A 91 4.679 -12.131 3.754 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 3.604 -13.168 4.035 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 6.073 -12.701 3.997 1.00 0.00 C -ATOM 1506 H VAL A 91 2.677 -10.674 2.878 1.00 0.00 H -ATOM 1507 HA VAL A 91 5.395 -10.860 2.153 1.00 0.00 H -ATOM 1508 HB VAL A 91 4.521 -11.324 4.455 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 3.703 -13.986 3.337 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 2.641 -12.701 3.900 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 3.698 -13.533 5.046 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 6.127 -13.119 4.991 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 6.807 -11.913 3.899 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 6.276 -13.473 3.271 1.00 0.00 H -ATOM 1515 N LYS A 92 3.491 -13.069 0.747 1.00 0.00 N -ATOM 1516 CA LYS A 92 3.473 -14.115 -0.275 1.00 0.00 C -ATOM 1517 C LYS A 92 3.958 -13.579 -1.624 1.00 0.00 C -ATOM 1518 O LYS A 92 4.226 -14.345 -2.536 1.00 0.00 O -ATOM 1519 CB LYS A 92 2.083 -14.753 -0.422 1.00 0.00 C -ATOM 1520 CG LYS A 92 1.516 -15.359 0.856 1.00 0.00 C -ATOM 1521 CD LYS A 92 2.371 -16.459 1.444 1.00 0.00 C -ATOM 1522 CE LYS A 92 1.825 -16.896 2.803 1.00 0.00 C -ATOM 1523 NZ LYS A 92 0.416 -17.356 2.728 1.00 0.00 N -ATOM 1524 H LYS A 92 2.643 -12.706 1.090 1.00 0.00 H -ATOM 1525 HA LYS A 92 4.172 -14.875 0.041 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 1.395 -13.982 -0.735 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 2.123 -15.524 -1.177 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 1.417 -14.580 1.597 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 0.539 -15.761 0.632 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 2.368 -17.305 0.773 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 3.379 -16.096 1.574 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 2.434 -17.706 3.178 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 1.889 -16.060 3.484 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 0.047 -17.605 3.669 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 0.334 -18.205 2.130 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 -0.216 -16.642 2.315 1.00 0.00 H -ATOM 1537 N ARG A 93 4.056 -12.258 -1.756 1.00 0.00 N -ATOM 1538 CA ARG A 93 4.602 -11.693 -2.979 1.00 0.00 C -ATOM 1539 C ARG A 93 6.113 -11.607 -2.921 1.00 0.00 C -ATOM 1540 O ARG A 93 6.780 -11.462 -3.945 1.00 0.00 O -ATOM 1541 CB ARG A 93 4.014 -10.330 -3.342 1.00 0.00 C -ATOM 1542 CG ARG A 93 2.527 -10.324 -3.690 1.00 0.00 C -ATOM 1543 CD ARG A 93 2.145 -11.443 -4.664 1.00 0.00 C -ATOM 1544 NE ARG A 93 3.138 -11.672 -5.731 1.00 0.00 N -ATOM 1545 CZ ARG A 93 3.008 -11.331 -7.006 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 2.106 -10.449 -7.380 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 3.865 -11.803 -7.898 1.00 0.00 N -ATOM 1548 H ARG A 93 3.751 -11.667 -1.030 1.00 0.00 H -ATOM 1549 HA ARG A 93 4.355 -12.396 -3.760 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 4.158 -9.660 -2.506 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 4.561 -9.944 -4.189 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 1.958 -10.448 -2.781 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 2.283 -9.370 -4.135 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 2.032 -12.361 -4.108 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 1.197 -11.191 -5.118 1.00 0.00 H -ATOM 1556 HE ARG A 93 3.918 -12.205 -5.457 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 1.481 -9.964 -6.752 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 2.015 -10.192 -8.342 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 4.622 -12.415 -7.656 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 3.782 -11.565 -8.869 1.00 0.00 H -ATOM 1561 N ILE A 94 6.645 -11.687 -1.726 1.00 0.00 N -ATOM 1562 CA ILE A 94 8.079 -11.667 -1.527 1.00 0.00 C -ATOM 1563 C ILE A 94 8.604 -13.101 -1.580 1.00 0.00 C -ATOM 1564 O ILE A 94 9.711 -13.364 -2.078 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.495 -10.950 -0.175 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 8.329 -9.408 -0.254 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 9.927 -11.288 0.244 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 6.910 -8.893 -0.371 1.00 0.00 C -ATOM 1569 H ILE A 94 6.051 -11.778 -0.952 1.00 0.00 H -ATOM 1570 HA ILE A 94 8.502 -11.126 -2.362 1.00 0.00 H -ATOM 1571 HB ILE A 94 7.839 -11.325 0.597 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 8.741 -8.971 0.641 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 8.889 -9.046 -1.103 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 10.611 -10.966 -0.527 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 10.016 -12.356 0.378 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 10.163 -10.787 1.170 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 6.458 -9.288 -1.269 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 6.925 -7.815 -0.421 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 6.337 -9.206 0.489 1.00 0.00 H -ATOM 1580 N LEU A 95 7.790 -14.012 -1.118 1.00 0.00 N -ATOM 1581 CA LEU A 95 8.124 -15.408 -1.115 1.00 0.00 C -ATOM 1582 C LEU A 95 7.557 -16.059 -2.371 1.00 0.00 C -ATOM 1583 O LEU A 95 8.237 -16.066 -3.419 1.00 0.00 O -ATOM 1584 CB LEU A 95 7.545 -16.069 0.143 1.00 0.00 C -ATOM 1585 CG LEU A 95 7.986 -15.468 1.484 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 7.249 -16.127 2.631 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 9.488 -15.610 1.672 1.00 0.00 C -ATOM 1588 OXT LEU A 95 6.421 -16.545 -2.339 1.00 0.00 O -ATOM 1589 H LEU A 95 6.918 -13.744 -0.760 1.00 0.00 H -ATOM 1590 HA LEU A 95 9.199 -15.509 -1.108 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 6.469 -16.000 0.088 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 7.821 -17.113 0.134 1.00 0.00 H -ATOM 1593 HG LEU A 95 7.739 -14.417 1.493 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 6.186 -15.988 2.508 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 7.566 -15.685 3.564 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 7.478 -17.182 2.640 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 9.771 -15.194 2.628 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 10.001 -15.077 0.885 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 9.761 -16.654 1.637 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 14 -ATOM 1 N MET A 1 11.867 14.601 -2.050 1.00 0.00 N -ATOM 2 CA MET A 1 11.762 13.774 -3.250 1.00 0.00 C -ATOM 3 C MET A 1 10.439 13.066 -3.255 1.00 0.00 C -ATOM 4 O MET A 1 10.009 12.529 -2.225 1.00 0.00 O -ATOM 5 CB MET A 1 12.889 12.738 -3.294 1.00 0.00 C -ATOM 6 CG MET A 1 12.929 11.882 -4.557 1.00 0.00 C -ATOM 7 SD MET A 1 13.225 12.860 -6.044 1.00 0.00 S -ATOM 8 CE MET A 1 13.264 11.572 -7.296 1.00 0.00 C -ATOM 9 H MET A 1 11.811 14.030 -1.184 1.00 0.00 H -ATOM 10 HA MET A 1 11.825 14.407 -4.122 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.833 13.254 -3.226 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.761 12.084 -2.447 1.00 0.00 H -ATOM 13 HG2 MET A 1 13.721 11.155 -4.460 1.00 0.00 H -ATOM 14 HG3 MET A 1 11.983 11.373 -4.660 1.00 0.00 H -ATOM 15 HE1 MET A 1 13.454 12.018 -8.261 1.00 0.00 H -ATOM 16 HE2 MET A 1 12.311 11.065 -7.316 1.00 0.00 H -ATOM 17 HE3 MET A 1 14.046 10.865 -7.064 1.00 0.00 H -ATOM 18 N ALA A 2 9.812 13.059 -4.397 1.00 0.00 N -ATOM 19 CA ALA A 2 8.551 12.395 -4.588 1.00 0.00 C -ATOM 20 C ALA A 2 8.793 11.087 -5.300 1.00 0.00 C -ATOM 21 O ALA A 2 9.580 11.018 -6.259 1.00 0.00 O -ATOM 22 CB ALA A 2 7.586 13.265 -5.383 1.00 0.00 C -ATOM 23 H ALA A 2 10.231 13.503 -5.164 1.00 0.00 H -ATOM 24 HA ALA A 2 8.126 12.196 -3.615 1.00 0.00 H -ATOM 25 HB1 ALA A 2 8.007 13.475 -6.355 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.409 14.189 -4.855 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.652 12.734 -5.505 1.00 0.00 H -ATOM 28 N TYR A 3 8.163 10.066 -4.820 1.00 0.00 N -ATOM 29 CA TYR A 3 8.305 8.735 -5.359 1.00 0.00 C -ATOM 30 C TYR A 3 7.180 8.445 -6.345 1.00 0.00 C -ATOM 31 O TYR A 3 6.226 9.215 -6.452 1.00 0.00 O -ATOM 32 CB TYR A 3 8.301 7.691 -4.217 1.00 0.00 C -ATOM 33 CG TYR A 3 9.521 7.720 -3.287 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.983 8.906 -2.722 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.191 6.547 -2.962 1.00 0.00 C -ATOM 36 CE1 TYR A 3 11.065 8.925 -1.874 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.282 6.559 -2.111 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.715 7.752 -1.573 1.00 0.00 C -ATOM 39 OH TYR A 3 12.785 7.777 -0.703 1.00 0.00 O -ATOM 40 H TYR A 3 7.562 10.211 -4.058 1.00 0.00 H -ATOM 41 HA TYR A 3 9.250 8.681 -5.875 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.428 7.851 -3.603 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.240 6.706 -4.656 1.00 0.00 H -ATOM 44 HD1 TYR A 3 9.477 9.830 -2.960 1.00 0.00 H -ATOM 45 HD2 TYR A 3 9.852 5.614 -3.387 1.00 0.00 H -ATOM 46 HE1 TYR A 3 11.402 9.859 -1.449 1.00 0.00 H -ATOM 47 HE2 TYR A 3 11.793 5.637 -1.875 1.00 0.00 H -ATOM 48 HH TYR A 3 13.329 6.977 -0.837 1.00 0.00 H -ATOM 49 N PHE A 4 7.313 7.367 -7.070 1.00 0.00 N -ATOM 50 CA PHE A 4 6.289 6.917 -8.004 1.00 0.00 C -ATOM 51 C PHE A 4 5.339 5.982 -7.264 1.00 0.00 C -ATOM 52 O PHE A 4 5.700 5.459 -6.222 1.00 0.00 O -ATOM 53 CB PHE A 4 6.936 6.174 -9.185 1.00 0.00 C -ATOM 54 CG PHE A 4 7.820 7.024 -10.055 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.290 7.709 -11.130 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.181 7.132 -9.803 1.00 0.00 C -ATOM 57 CE1 PHE A 4 8.094 8.485 -11.939 1.00 0.00 C -ATOM 58 CE2 PHE A 4 9.990 7.909 -10.608 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.445 8.586 -11.678 1.00 0.00 C -ATOM 60 H PHE A 4 8.134 6.835 -6.969 1.00 0.00 H -ATOM 61 HA PHE A 4 5.744 7.776 -8.366 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.559 5.386 -8.786 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.165 5.737 -9.802 1.00 0.00 H -ATOM 64 HD1 PHE A 4 6.233 7.631 -11.332 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.607 6.600 -8.964 1.00 0.00 H -ATOM 66 HE1 PHE A 4 7.662 9.011 -12.777 1.00 0.00 H -ATOM 67 HE2 PHE A 4 11.047 7.988 -10.401 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.074 9.195 -12.312 1.00 0.00 H -ATOM 69 N LEU A 5 4.147 5.781 -7.772 1.00 0.00 N -ATOM 70 CA LEU A 5 3.193 4.888 -7.118 1.00 0.00 C -ATOM 71 C LEU A 5 2.736 3.849 -8.138 1.00 0.00 C -ATOM 72 O LEU A 5 2.229 4.212 -9.212 1.00 0.00 O -ATOM 73 CB LEU A 5 1.971 5.699 -6.593 1.00 0.00 C -ATOM 74 CG LEU A 5 1.103 5.088 -5.440 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.503 3.737 -5.775 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.885 5.003 -4.153 1.00 0.00 C -ATOM 77 H LEU A 5 3.886 6.228 -8.607 1.00 0.00 H -ATOM 78 HA LEU A 5 3.687 4.396 -6.294 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.339 6.655 -6.254 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.321 5.882 -7.435 1.00 0.00 H -ATOM 81 HG LEU A 5 0.274 5.759 -5.269 1.00 0.00 H -ATOM 82 HD11 LEU A 5 1.296 3.064 -6.066 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.220 3.831 -6.571 1.00 0.00 H -ATOM 84 HD13 LEU A 5 0.030 3.347 -4.886 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.199 5.988 -3.844 1.00 0.00 H -ATOM 86 HD22 LEU A 5 2.745 4.370 -4.309 1.00 0.00 H -ATOM 87 HD23 LEU A 5 1.263 4.567 -3.386 1.00 0.00 H -ATOM 88 N ASP A 6 2.908 2.582 -7.824 1.00 0.00 N -ATOM 89 CA ASP A 6 2.464 1.516 -8.718 1.00 0.00 C -ATOM 90 C ASP A 6 1.805 0.422 -7.891 1.00 0.00 C -ATOM 91 O ASP A 6 2.114 0.266 -6.701 1.00 0.00 O -ATOM 92 CB ASP A 6 3.643 0.952 -9.529 1.00 0.00 C -ATOM 93 CG ASP A 6 3.215 0.074 -10.696 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.691 0.616 -11.714 1.00 0.00 O -ATOM 95 OD2 ASP A 6 3.399 -1.147 -10.641 1.00 0.00 O -ATOM 96 H ASP A 6 3.326 2.333 -6.966 1.00 0.00 H -ATOM 97 HA ASP A 6 1.728 1.934 -9.387 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.255 1.755 -9.907 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.219 0.339 -8.855 1.00 0.00 H -ATOM 100 N PHE A 7 0.901 -0.300 -8.487 1.00 0.00 N -ATOM 101 CA PHE A 7 0.148 -1.332 -7.790 1.00 0.00 C -ATOM 102 C PHE A 7 0.429 -2.683 -8.408 1.00 0.00 C -ATOM 103 O PHE A 7 0.479 -2.806 -9.629 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.366 -1.098 -7.919 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.909 0.205 -7.403 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -1.927 1.334 -8.209 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.438 0.291 -6.130 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.454 2.522 -7.750 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.970 1.474 -5.666 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.978 2.592 -6.476 1.00 0.00 C -ATOM 111 H PHE A 7 0.745 -0.168 -9.445 1.00 0.00 H -ATOM 112 HA PHE A 7 0.413 -1.329 -6.745 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.627 -1.150 -8.966 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.877 -1.900 -7.406 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.518 1.280 -9.207 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.427 -0.582 -5.492 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.459 3.395 -8.387 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.382 1.527 -4.669 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.396 3.519 -6.113 1.00 0.00 H -ATOM 120 N ASP A 8 0.602 -3.681 -7.584 1.00 0.00 N -ATOM 121 CA ASP A 8 0.727 -5.055 -8.056 1.00 0.00 C -ATOM 122 C ASP A 8 -0.624 -5.541 -8.581 1.00 0.00 C -ATOM 123 O ASP A 8 -1.669 -5.026 -8.166 1.00 0.00 O -ATOM 124 CB ASP A 8 1.209 -5.973 -6.935 1.00 0.00 C -ATOM 125 CG ASP A 8 1.173 -7.419 -7.334 1.00 0.00 C -ATOM 126 OD1 ASP A 8 2.032 -7.871 -8.116 1.00 0.00 O -ATOM 127 OD2 ASP A 8 0.267 -8.134 -6.883 1.00 0.00 O -ATOM 128 H ASP A 8 0.657 -3.512 -6.615 1.00 0.00 H -ATOM 129 HA ASP A 8 1.443 -5.067 -8.864 1.00 0.00 H -ATOM 130 HB2 ASP A 8 2.223 -5.714 -6.671 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.572 -5.836 -6.073 1.00 0.00 H -ATOM 132 N GLU A 9 -0.615 -6.511 -9.483 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.836 -7.008 -10.069 1.00 0.00 C -ATOM 134 C GLU A 9 -2.830 -7.591 -9.043 1.00 0.00 C -ATOM 135 O GLU A 9 -4.038 -7.452 -9.234 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.578 -7.908 -11.306 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.738 -9.172 -11.098 1.00 0.00 C -ATOM 138 CD GLU A 9 -1.515 -10.335 -10.530 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -2.456 -10.814 -11.197 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -1.193 -10.807 -9.439 1.00 0.00 O -ATOM 141 H GLU A 9 0.247 -6.907 -9.739 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.324 -6.109 -10.419 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.533 -8.228 -11.696 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -1.095 -7.303 -12.060 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -0.324 -9.478 -12.046 1.00 0.00 H -ATOM 146 HG3 GLU A 9 0.069 -8.932 -10.422 1.00 0.00 H -ATOM 147 N ARG A 10 -2.333 -8.174 -7.932 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.227 -8.668 -6.872 1.00 0.00 C -ATOM 149 C ARG A 10 -3.850 -7.497 -6.146 1.00 0.00 C -ATOM 150 O ARG A 10 -5.041 -7.520 -5.789 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.513 -9.568 -5.849 1.00 0.00 C -ATOM 152 CG ARG A 10 -2.033 -10.892 -6.392 1.00 0.00 C -ATOM 153 CD ARG A 10 -1.471 -11.775 -5.287 1.00 0.00 C -ATOM 154 NE ARG A 10 -0.987 -13.056 -5.813 1.00 0.00 N -ATOM 155 CZ ARG A 10 -0.568 -14.102 -5.082 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -0.644 -14.082 -3.748 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -0.113 -15.191 -5.692 1.00 0.00 N -ATOM 158 H ARG A 10 -1.356 -8.268 -7.816 1.00 0.00 H -ATOM 159 HA ARG A 10 -4.016 -9.226 -7.352 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.654 -9.036 -5.467 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.191 -9.764 -5.031 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -2.865 -11.401 -6.856 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -1.261 -10.710 -7.126 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -0.648 -11.259 -4.814 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -2.247 -11.964 -4.561 1.00 0.00 H -ATOM 166 HE ARG A 10 -0.976 -13.096 -6.796 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -1.014 -13.308 -3.210 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -0.330 -14.867 -3.207 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -0.066 -15.271 -6.693 1.00 0.00 H -ATOM 170 HH22 ARG A 10 0.211 -15.990 -5.178 1.00 0.00 H -ATOM 171 N ALA A 11 -3.052 -6.463 -5.957 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.495 -5.260 -5.295 1.00 0.00 C -ATOM 173 C ALA A 11 -4.549 -4.560 -6.131 1.00 0.00 C -ATOM 174 O ALA A 11 -5.522 -4.065 -5.602 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.324 -4.330 -5.025 1.00 0.00 C -ATOM 176 H ALA A 11 -2.128 -6.523 -6.282 1.00 0.00 H -ATOM 177 HA ALA A 11 -3.933 -5.546 -4.350 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.878 -4.036 -5.964 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.590 -4.837 -4.417 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -2.681 -3.451 -4.508 1.00 0.00 H -ATOM 181 N LEU A 12 -4.362 -4.575 -7.451 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.288 -3.955 -8.382 1.00 0.00 C -ATOM 183 C LEU A 12 -6.658 -4.582 -8.296 1.00 0.00 C -ATOM 184 O LEU A 12 -7.661 -3.888 -8.257 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.765 -4.047 -9.818 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.612 -3.113 -10.192 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.100 -3.442 -11.583 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.080 -1.661 -10.148 1.00 0.00 C -ATOM 189 H LEU A 12 -3.564 -5.023 -7.812 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.372 -2.912 -8.116 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.439 -5.063 -9.983 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.592 -3.847 -10.479 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.804 -3.232 -9.486 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -2.279 -2.782 -11.823 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -3.897 -3.302 -12.299 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -2.762 -4.466 -11.618 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -4.916 -1.532 -10.817 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -3.272 -1.017 -10.461 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.374 -1.395 -9.143 1.00 0.00 H -ATOM 200 N LYS A 13 -6.688 -5.891 -8.230 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.937 -6.640 -8.176 1.00 0.00 C -ATOM 202 C LYS A 13 -8.737 -6.278 -6.927 1.00 0.00 C -ATOM 203 O LYS A 13 -9.946 -6.011 -7.001 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.612 -8.119 -8.196 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.927 -8.549 -9.472 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.299 -9.912 -9.337 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.669 -10.361 -10.650 1.00 0.00 C -ATOM 208 NZ LYS A 13 -5.021 -11.684 -10.536 1.00 0.00 N -ATOM 209 H LYS A 13 -5.833 -6.374 -8.216 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.516 -6.398 -9.053 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -6.962 -8.344 -7.362 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.529 -8.680 -8.095 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.650 -8.570 -10.274 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -6.158 -7.828 -9.707 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.531 -9.821 -8.583 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -7.046 -10.621 -9.017 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -6.439 -10.416 -11.405 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -4.932 -9.630 -10.945 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -4.260 -11.655 -9.826 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -4.574 -11.936 -11.442 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -5.704 -12.419 -10.262 1.00 0.00 H -ATOM 222 N GLU A 14 -8.055 -6.210 -5.800 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.677 -5.813 -4.560 1.00 0.00 C -ATOM 224 C GLU A 14 -9.047 -4.330 -4.575 1.00 0.00 C -ATOM 225 O GLU A 14 -10.089 -3.951 -4.081 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.764 -6.149 -3.403 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.555 -7.640 -3.250 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.843 -8.364 -2.923 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -9.293 -8.319 -1.746 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -9.453 -8.959 -3.843 1.00 0.00 O -ATOM 231 H GLU A 14 -7.106 -6.468 -5.776 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.590 -6.384 -4.455 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.805 -5.679 -3.566 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.195 -5.770 -2.489 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -7.193 -8.012 -4.198 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.813 -7.835 -2.496 1.00 0.00 H -ATOM 237 N TRP A 15 -8.197 -3.517 -5.180 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.400 -2.067 -5.314 1.00 0.00 C -ATOM 239 C TRP A 15 -9.680 -1.772 -6.110 1.00 0.00 C -ATOM 240 O TRP A 15 -10.406 -0.818 -5.828 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.169 -1.465 -6.015 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.199 0.012 -6.242 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.540 0.653 -7.395 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.851 1.031 -5.300 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.430 2.008 -7.228 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.009 2.268 -5.951 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.425 1.020 -3.968 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.752 3.480 -5.319 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.172 2.223 -3.342 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.337 3.436 -4.016 1.00 0.00 C -ATOM 251 H TRP A 15 -7.360 -3.895 -5.538 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.484 -1.642 -4.325 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.292 -1.677 -5.423 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.058 -1.950 -6.974 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -7.851 0.143 -8.297 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.616 2.683 -7.920 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.293 0.091 -3.433 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.875 4.426 -5.823 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.841 2.239 -2.314 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.126 4.352 -3.486 1.00 0.00 H -ATOM 261 N ARG A 16 -9.932 -2.591 -7.105 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.128 -2.490 -7.932 1.00 0.00 C -ATOM 263 C ARG A 16 -12.348 -3.001 -7.175 1.00 0.00 C -ATOM 264 O ARG A 16 -13.474 -2.553 -7.399 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.923 -3.263 -9.229 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.792 -2.704 -10.066 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.484 -3.563 -11.266 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.322 -3.046 -11.986 1.00 0.00 N -ATOM 269 CZ ARG A 16 -7.579 -3.714 -12.871 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -7.929 -4.933 -13.256 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -6.506 -3.129 -13.399 1.00 0.00 N -ATOM 272 H ARG A 16 -9.264 -3.289 -7.296 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.279 -1.447 -8.165 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.687 -4.287 -8.977 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.831 -3.241 -9.811 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.054 -1.714 -10.406 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.909 -2.638 -9.446 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.270 -4.564 -10.922 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -10.338 -3.568 -11.927 1.00 0.00 H -ATOM 280 HE ARG A 16 -8.075 -2.119 -11.766 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.752 -5.389 -12.909 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -7.381 -5.446 -13.922 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -6.237 -2.188 -13.161 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -5.901 -3.587 -14.057 1.00 0.00 H -ATOM 285 N LYS A 17 -12.111 -3.929 -6.272 1.00 0.00 N -ATOM 286 CA LYS A 17 -13.153 -4.505 -5.440 1.00 0.00 C -ATOM 287 C LYS A 17 -13.538 -3.532 -4.309 1.00 0.00 C -ATOM 288 O LYS A 17 -14.659 -3.566 -3.789 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.664 -5.838 -4.858 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.689 -6.560 -4.022 1.00 0.00 C -ATOM 291 CD LYS A 17 -13.156 -7.867 -3.488 1.00 0.00 C -ATOM 292 CE LYS A 17 -14.187 -8.551 -2.614 1.00 0.00 C -ATOM 293 NZ LYS A 17 -15.436 -8.879 -3.356 1.00 0.00 N -ATOM 294 H LYS A 17 -11.190 -4.252 -6.163 1.00 0.00 H -ATOM 295 HA LYS A 17 -14.023 -4.690 -6.053 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -12.371 -6.490 -5.666 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.801 -5.643 -4.239 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -13.980 -5.930 -3.195 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -14.546 -6.762 -4.645 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -12.914 -8.513 -4.319 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -12.265 -7.683 -2.907 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -13.750 -9.454 -2.220 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -14.422 -7.878 -1.803 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -15.885 -8.036 -3.769 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -16.131 -9.305 -2.710 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -15.245 -9.566 -4.115 1.00 0.00 H -ATOM 307 N LEU A 18 -12.602 -2.684 -3.936 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.809 -1.678 -2.906 1.00 0.00 C -ATOM 309 C LEU A 18 -13.852 -0.669 -3.307 1.00 0.00 C -ATOM 310 O LEU A 18 -14.061 -0.400 -4.500 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.513 -0.943 -2.584 1.00 0.00 C -ATOM 312 CG LEU A 18 -10.833 -1.292 -1.266 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.456 -2.754 -1.199 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.622 -0.419 -1.072 1.00 0.00 C -ATOM 315 H LEU A 18 -11.724 -2.747 -4.372 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.139 -2.183 -2.010 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.814 -1.135 -3.385 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.732 0.115 -2.578 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.516 -1.091 -0.455 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -9.970 -2.953 -0.256 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -9.793 -3.000 -2.015 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -11.356 -3.347 -1.270 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.942 0.612 -1.059 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -8.925 -0.573 -1.883 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.152 -0.660 -0.131 1.00 0.00 H -ATOM 326 N GLY A 19 -14.511 -0.127 -2.319 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.497 0.881 -2.557 1.00 0.00 C -ATOM 328 C GLY A 19 -14.853 2.154 -3.017 1.00 0.00 C -ATOM 329 O GLY A 19 -13.733 2.469 -2.581 1.00 0.00 O -ATOM 330 H GLY A 19 -14.316 -0.421 -1.402 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.192 0.537 -3.309 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.030 1.074 -1.639 1.00 0.00 H -ATOM 333 N SER A 20 -15.537 2.867 -3.891 1.00 0.00 N -ATOM 334 CA SER A 20 -15.087 4.128 -4.463 1.00 0.00 C -ATOM 335 C SER A 20 -14.514 5.075 -3.397 1.00 0.00 C -ATOM 336 O SER A 20 -13.361 5.487 -3.480 1.00 0.00 O -ATOM 337 CB SER A 20 -16.275 4.787 -5.164 1.00 0.00 C -ATOM 338 OG SER A 20 -16.874 3.875 -6.078 1.00 0.00 O -ATOM 339 H SER A 20 -16.403 2.523 -4.204 1.00 0.00 H -ATOM 340 HA SER A 20 -14.333 3.918 -5.206 1.00 0.00 H -ATOM 341 HB2 SER A 20 -17.011 5.081 -4.429 1.00 0.00 H -ATOM 342 HB3 SER A 20 -15.936 5.655 -5.709 1.00 0.00 H -ATOM 343 HG SER A 20 -17.755 3.640 -5.758 1.00 0.00 H -ATOM 344 N THR A 21 -15.286 5.310 -2.364 1.00 0.00 N -ATOM 345 CA THR A 21 -14.930 6.250 -1.320 1.00 0.00 C -ATOM 346 C THR A 21 -13.744 5.721 -0.508 1.00 0.00 C -ATOM 347 O THR A 21 -12.851 6.482 -0.116 1.00 0.00 O -ATOM 348 CB THR A 21 -16.134 6.484 -0.379 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.330 6.663 -1.167 1.00 0.00 O -ATOM 350 CG2 THR A 21 -15.925 7.733 0.469 1.00 0.00 C -ATOM 351 H THR A 21 -16.124 4.806 -2.312 1.00 0.00 H -ATOM 352 HA THR A 21 -14.660 7.190 -1.778 1.00 0.00 H -ATOM 353 HB THR A 21 -16.246 5.628 0.267 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.055 6.953 -2.050 1.00 0.00 H -ATOM 355 HG21 THR A 21 -15.827 8.593 -0.177 1.00 0.00 H -ATOM 356 HG22 THR A 21 -15.027 7.623 1.058 1.00 0.00 H -ATOM 357 HG23 THR A 21 -16.772 7.870 1.125 1.00 0.00 H -ATOM 358 N VAL A 22 -13.718 4.412 -0.309 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.686 3.774 0.481 1.00 0.00 C -ATOM 360 C VAL A 22 -11.346 3.890 -0.219 1.00 0.00 C -ATOM 361 O VAL A 22 -10.355 4.337 0.373 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.030 2.274 0.707 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -11.907 1.537 1.406 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.311 2.145 1.506 1.00 0.00 C -ATOM 365 H VAL A 22 -14.402 3.856 -0.735 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.637 4.264 1.441 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.192 1.814 -0.258 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -10.995 1.636 0.837 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -12.165 0.491 1.490 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -11.768 1.949 2.393 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -15.128 2.554 0.933 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -14.211 2.696 2.430 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.505 1.107 1.729 1.00 0.00 H -ATOM 374 N ARG A 23 -11.332 3.560 -1.487 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.119 3.638 -2.243 1.00 0.00 C -ATOM 376 C ARG A 23 -9.662 5.068 -2.477 1.00 0.00 C -ATOM 377 O ARG A 23 -8.479 5.334 -2.482 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.148 2.831 -3.522 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.269 3.140 -4.484 1.00 0.00 C -ATOM 380 CD ARG A 23 -10.881 2.583 -5.828 1.00 0.00 C -ATOM 381 NE ARG A 23 -11.849 2.825 -6.888 1.00 0.00 N -ATOM 382 CZ ARG A 23 -11.921 2.085 -8.009 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -11.203 0.965 -8.117 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -12.744 2.433 -8.987 1.00 0.00 N -ATOM 385 H ARG A 23 -12.166 3.255 -1.912 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.372 3.205 -1.594 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.215 2.984 -4.045 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.216 1.786 -3.253 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.129 2.596 -4.116 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.525 4.191 -4.516 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -9.943 3.036 -6.113 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -10.735 1.518 -5.718 1.00 0.00 H -ATOM 393 HE ARG A 23 -12.424 3.615 -6.768 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -10.610 0.640 -7.376 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -11.228 0.430 -8.965 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -13.332 3.242 -8.924 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -12.817 1.903 -9.839 1.00 0.00 H -ATOM 398 N GLU A 24 -10.607 5.984 -2.665 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.281 7.399 -2.836 1.00 0.00 C -ATOM 400 C GLU A 24 -9.497 7.953 -1.665 1.00 0.00 C -ATOM 401 O GLU A 24 -8.522 8.680 -1.852 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.529 8.236 -3.081 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.050 8.140 -4.500 1.00 0.00 C -ATOM 404 CD GLU A 24 -13.208 9.063 -4.763 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -12.997 10.302 -4.805 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -14.324 8.589 -4.990 1.00 0.00 O -ATOM 407 H GLU A 24 -11.549 5.705 -2.708 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.651 7.467 -3.711 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.296 7.857 -2.422 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.348 9.267 -2.821 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -11.251 8.387 -5.182 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.368 7.124 -4.682 1.00 0.00 H -ATOM 413 N GLN A 25 -9.887 7.574 -0.470 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.221 8.038 0.723 1.00 0.00 C -ATOM 415 C GLN A 25 -7.833 7.411 0.855 1.00 0.00 C -ATOM 416 O GLN A 25 -6.879 8.065 1.310 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.075 7.733 1.912 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.320 8.569 2.007 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.296 8.007 3.000 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -12.266 8.311 4.187 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.167 7.181 2.519 1.00 0.00 N -ATOM 422 H GLN A 25 -10.637 6.944 -0.372 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.109 9.109 0.637 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.389 6.704 1.819 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.489 7.874 2.809 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.041 9.566 2.312 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -11.789 8.607 1.034 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.094 7.009 1.549 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -13.853 6.779 3.092 1.00 0.00 H -ATOM 430 N LEU A 26 -7.721 6.156 0.439 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.445 5.455 0.439 1.00 0.00 C -ATOM 432 C LEU A 26 -5.519 6.052 -0.598 1.00 0.00 C -ATOM 433 O LEU A 26 -4.332 6.213 -0.354 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.634 3.965 0.167 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.335 3.155 1.264 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.549 1.733 0.808 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.511 3.161 2.546 1.00 0.00 C -ATOM 438 H LEU A 26 -8.524 5.683 0.127 1.00 0.00 H -ATOM 439 HA LEU A 26 -5.996 5.582 1.412 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.207 3.888 -0.745 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.660 3.534 -0.012 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.299 3.595 1.476 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.152 1.728 -0.089 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.059 1.179 1.584 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -6.596 1.270 0.602 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -5.538 2.736 2.352 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -7.014 2.568 3.296 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -6.399 4.173 2.907 1.00 0.00 H -ATOM 449 N LYS A 27 -6.082 6.394 -1.745 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.342 7.017 -2.822 1.00 0.00 C -ATOM 451 C LYS A 27 -4.745 8.336 -2.363 1.00 0.00 C -ATOM 452 O LYS A 27 -3.605 8.636 -2.667 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.230 7.266 -4.026 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.474 7.873 -5.192 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.387 8.346 -6.298 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.205 9.551 -5.861 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.038 10.073 -6.960 1.00 0.00 N -ATOM 458 H LYS A 27 -7.033 6.179 -1.878 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.542 6.353 -3.107 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.663 6.325 -4.339 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.022 7.935 -3.727 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -4.929 8.723 -4.807 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -4.779 7.141 -5.578 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -5.793 8.616 -7.157 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.058 7.541 -6.557 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -7.850 9.263 -5.045 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.527 10.322 -5.523 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -7.451 10.376 -7.765 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -8.590 10.894 -6.642 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -8.700 9.346 -7.293 1.00 0.00 H -ATOM 471 N LYS A 28 -5.532 9.114 -1.626 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.056 10.381 -1.062 1.00 0.00 C -ATOM 473 C LYS A 28 -3.832 10.131 -0.195 1.00 0.00 C -ATOM 474 O LYS A 28 -2.840 10.870 -0.263 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.149 11.065 -0.240 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.350 11.498 -1.036 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.375 12.148 -0.131 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.588 12.590 -0.908 1.00 0.00 C -ATOM 479 NZ LYS A 28 -9.252 13.601 -1.936 1.00 0.00 N -ATOM 480 H LYS A 28 -6.459 8.824 -1.486 1.00 0.00 H -ATOM 481 HA LYS A 28 -4.772 11.023 -1.883 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.508 10.381 0.514 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -5.743 11.940 0.241 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.037 12.204 -1.792 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -7.791 10.635 -1.512 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -8.682 11.439 0.623 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -7.925 13.007 0.344 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -9.990 11.712 -1.392 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.310 12.995 -0.216 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -8.799 14.438 -1.521 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -10.104 13.915 -2.440 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -8.617 13.204 -2.659 1.00 0.00 H -ATOM 493 N LYS A 29 -3.892 9.059 0.579 1.00 0.00 N -ATOM 494 CA LYS A 29 -2.778 8.643 1.397 1.00 0.00 C -ATOM 495 C LYS A 29 -1.580 8.247 0.573 1.00 0.00 C -ATOM 496 O LYS A 29 -0.456 8.549 0.942 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.165 7.557 2.401 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.066 8.041 3.521 1.00 0.00 C -ATOM 499 CD LYS A 29 -3.374 9.135 4.293 1.00 0.00 C -ATOM 500 CE LYS A 29 -4.200 9.652 5.433 1.00 0.00 C -ATOM 501 NZ LYS A 29 -3.544 10.812 6.079 1.00 0.00 N -ATOM 502 H LYS A 29 -4.727 8.545 0.600 1.00 0.00 H -ATOM 503 HA LYS A 29 -2.463 9.516 1.935 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -3.682 6.770 1.872 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.264 7.155 2.841 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.983 8.426 3.099 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -4.285 7.217 4.186 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -2.436 8.767 4.681 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -3.187 9.954 3.615 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -5.177 9.918 5.058 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -4.296 8.848 6.148 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -3.239 11.491 5.344 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -2.717 10.523 6.636 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.209 11.305 6.709 1.00 0.00 H -ATOM 515 N LEU A 30 -1.822 7.610 -0.541 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.762 7.237 -1.455 1.00 0.00 C -ATOM 517 C LEU A 30 -0.109 8.492 -2.030 1.00 0.00 C -ATOM 518 O LEU A 30 1.113 8.589 -2.129 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.314 6.362 -2.579 1.00 0.00 C -ATOM 520 CG LEU A 30 -1.981 5.060 -2.138 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.544 4.315 -3.325 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.002 4.185 -1.374 1.00 0.00 C -ATOM 523 H LEU A 30 -2.751 7.370 -0.751 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.029 6.676 -0.896 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.038 6.944 -3.130 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.497 6.114 -3.242 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.803 5.300 -1.478 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -1.746 4.068 -4.008 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -3.267 4.933 -3.835 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -3.020 3.406 -2.989 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -0.671 4.723 -0.497 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -0.155 3.943 -1.996 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -1.495 3.276 -1.065 1.00 0.00 H -ATOM 534 N VAL A 31 -0.930 9.464 -2.358 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.457 10.712 -2.912 1.00 0.00 C -ATOM 536 C VAL A 31 0.395 11.496 -1.896 1.00 0.00 C -ATOM 537 O VAL A 31 1.491 11.972 -2.235 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.650 11.579 -3.424 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -1.187 12.938 -3.922 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -2.378 10.846 -4.532 1.00 0.00 C -ATOM 541 H VAL A 31 -1.894 9.315 -2.237 1.00 0.00 H -ATOM 542 HA VAL A 31 0.170 10.469 -3.757 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.353 11.730 -2.617 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -0.704 13.460 -3.108 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -2.042 13.505 -4.259 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -0.488 12.808 -4.735 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -2.756 9.917 -4.128 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -1.694 10.642 -5.343 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -3.202 11.448 -4.882 1.00 0.00 H -ATOM 550 N GLU A 32 -0.067 11.599 -0.651 1.00 0.00 N -ATOM 551 CA GLU A 32 0.712 12.300 0.369 1.00 0.00 C -ATOM 552 C GLU A 32 1.977 11.530 0.750 1.00 0.00 C -ATOM 553 O GLU A 32 3.038 12.120 0.943 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.106 12.662 1.623 1.00 0.00 C -ATOM 555 CG GLU A 32 -0.697 11.485 2.357 1.00 0.00 C -ATOM 556 CD GLU A 32 -1.231 11.844 3.720 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -0.454 11.820 4.695 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -2.438 12.125 3.860 1.00 0.00 O -ATOM 559 H GLU A 32 -0.946 11.218 -0.425 1.00 0.00 H -ATOM 560 HA GLU A 32 1.044 13.215 -0.101 1.00 0.00 H -ATOM 561 HB2 GLU A 32 0.528 13.196 2.313 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -0.915 13.309 1.316 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -1.514 11.120 1.754 1.00 0.00 H -ATOM 564 HG3 GLU A 32 0.053 10.713 2.457 1.00 0.00 H -ATOM 565 N VAL A 33 1.870 10.206 0.813 1.00 0.00 N -ATOM 566 CA VAL A 33 2.974 9.373 1.234 1.00 0.00 C -ATOM 567 C VAL A 33 4.155 9.460 0.267 1.00 0.00 C -ATOM 568 O VAL A 33 5.267 9.361 0.673 1.00 0.00 O -ATOM 569 CB VAL A 33 2.576 7.894 1.543 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.353 7.066 0.290 1.00 0.00 C -ATOM 571 CG2 VAL A 33 3.599 7.246 2.428 1.00 0.00 C -ATOM 572 H VAL A 33 1.015 9.773 0.589 1.00 0.00 H -ATOM 573 HA VAL A 33 3.319 9.828 2.153 1.00 0.00 H -ATOM 574 HB VAL A 33 1.641 7.918 2.084 1.00 0.00 H -ATOM 575 HG11 VAL A 33 3.283 6.991 -0.254 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.627 7.570 -0.330 1.00 0.00 H -ATOM 577 HG13 VAL A 33 1.999 6.081 0.553 1.00 0.00 H -ATOM 578 HG21 VAL A 33 3.241 6.275 2.741 1.00 0.00 H -ATOM 579 HG22 VAL A 33 3.818 7.865 3.285 1.00 0.00 H -ATOM 580 HG23 VAL A 33 4.479 7.105 1.820 1.00 0.00 H -ATOM 581 N LEU A 34 3.889 9.674 -1.004 1.00 0.00 N -ATOM 582 CA LEU A 34 4.940 9.777 -2.030 1.00 0.00 C -ATOM 583 C LEU A 34 6.001 10.838 -1.720 1.00 0.00 C -ATOM 584 O LEU A 34 7.140 10.707 -2.162 1.00 0.00 O -ATOM 585 CB LEU A 34 4.346 10.075 -3.400 1.00 0.00 C -ATOM 586 CG LEU A 34 3.489 8.990 -4.022 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.954 9.454 -5.363 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.296 7.719 -4.174 1.00 0.00 C -ATOM 589 H LEU A 34 2.951 9.735 -1.275 1.00 0.00 H -ATOM 590 HA LEU A 34 5.432 8.817 -2.079 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.737 10.963 -3.304 1.00 0.00 H -ATOM 592 HB3 LEU A 34 5.158 10.292 -4.076 1.00 0.00 H -ATOM 593 HG LEU A 34 2.648 8.785 -3.377 1.00 0.00 H -ATOM 594 HD11 LEU A 34 2.347 8.679 -5.808 1.00 0.00 H -ATOM 595 HD12 LEU A 34 3.787 9.690 -6.009 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.357 10.341 -5.218 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.565 7.338 -3.200 1.00 0.00 H -ATOM 598 HD22 LEU A 34 5.199 7.945 -4.722 1.00 0.00 H -ATOM 599 HD23 LEU A 34 3.731 6.977 -4.716 1.00 0.00 H -ATOM 600 N GLU A 35 5.643 11.871 -0.975 1.00 0.00 N -ATOM 601 CA GLU A 35 6.608 12.915 -0.670 1.00 0.00 C -ATOM 602 C GLU A 35 7.261 12.680 0.693 1.00 0.00 C -ATOM 603 O GLU A 35 8.217 13.368 1.065 1.00 0.00 O -ATOM 604 CB GLU A 35 5.986 14.312 -0.757 1.00 0.00 C -ATOM 605 CG GLU A 35 4.890 14.583 0.249 1.00 0.00 C -ATOM 606 CD GLU A 35 4.337 15.971 0.129 1.00 0.00 C -ATOM 607 OE1 GLU A 35 4.922 16.910 0.705 1.00 0.00 O -ATOM 608 OE2 GLU A 35 3.302 16.152 -0.551 1.00 0.00 O -ATOM 609 H GLU A 35 4.729 11.927 -0.622 1.00 0.00 H -ATOM 610 HA GLU A 35 7.387 12.834 -1.413 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.766 15.043 -0.603 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.578 14.446 -1.748 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.091 13.873 0.094 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.297 14.453 1.242 1.00 0.00 H -ATOM 615 N SER A 36 6.757 11.713 1.426 1.00 0.00 N -ATOM 616 CA SER A 36 7.284 11.366 2.733 1.00 0.00 C -ATOM 617 C SER A 36 6.964 9.888 3.067 1.00 0.00 C -ATOM 618 O SER A 36 6.200 9.617 3.966 1.00 0.00 O -ATOM 619 CB SER A 36 6.695 12.320 3.797 1.00 0.00 C -ATOM 620 OG SER A 36 5.259 12.335 3.738 1.00 0.00 O -ATOM 621 H SER A 36 6.012 11.177 1.074 1.00 0.00 H -ATOM 622 HA SER A 36 8.357 11.486 2.710 1.00 0.00 H -ATOM 623 HB2 SER A 36 6.998 11.994 4.781 1.00 0.00 H -ATOM 624 HB3 SER A 36 7.058 13.321 3.623 1.00 0.00 H -ATOM 625 HG SER A 36 4.999 11.408 3.667 1.00 0.00 H -ATOM 626 N PRO A 37 7.502 8.913 2.296 1.00 0.00 N -ATOM 627 CA PRO A 37 7.166 7.489 2.485 1.00 0.00 C -ATOM 628 C PRO A 37 7.913 6.799 3.618 1.00 0.00 C -ATOM 629 O PRO A 37 7.620 5.671 3.953 1.00 0.00 O -ATOM 630 CB PRO A 37 7.524 6.881 1.131 1.00 0.00 C -ATOM 631 CG PRO A 37 8.672 7.699 0.669 1.00 0.00 C -ATOM 632 CD PRO A 37 8.365 9.105 1.102 1.00 0.00 C -ATOM 633 HA PRO A 37 6.112 7.359 2.662 1.00 0.00 H -ATOM 634 HB2 PRO A 37 7.782 5.838 1.232 1.00 0.00 H -ATOM 635 HB3 PRO A 37 6.686 6.982 0.457 1.00 0.00 H -ATOM 636 HG2 PRO A 37 9.583 7.350 1.135 1.00 0.00 H -ATOM 637 HG3 PRO A 37 8.759 7.647 -0.407 1.00 0.00 H -ATOM 638 HD2 PRO A 37 9.258 9.661 1.341 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.788 9.599 0.330 1.00 0.00 H -ATOM 640 N ARG A 38 8.823 7.493 4.230 1.00 0.00 N -ATOM 641 CA ARG A 38 9.640 6.923 5.296 1.00 0.00 C -ATOM 642 C ARG A 38 9.032 7.152 6.688 1.00 0.00 C -ATOM 643 O ARG A 38 9.744 7.340 7.668 1.00 0.00 O -ATOM 644 CB ARG A 38 11.100 7.428 5.167 1.00 0.00 C -ATOM 645 CG ARG A 38 11.277 8.933 4.892 1.00 0.00 C -ATOM 646 CD ARG A 38 10.968 9.819 6.091 1.00 0.00 C -ATOM 647 NE ARG A 38 11.892 9.578 7.206 1.00 0.00 N -ATOM 648 CZ ARG A 38 11.670 9.943 8.478 1.00 0.00 C -ATOM 649 NH1 ARG A 38 10.563 10.622 8.802 1.00 0.00 N -ATOM 650 NH2 ARG A 38 12.566 9.653 9.413 1.00 0.00 N -ATOM 651 H ARG A 38 8.926 8.425 3.954 1.00 0.00 H -ATOM 652 HA ARG A 38 9.638 5.855 5.129 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.617 7.204 6.089 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.578 6.879 4.369 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.301 9.100 4.603 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.634 9.210 4.069 1.00 0.00 H -ATOM 657 HD2 ARG A 38 11.051 10.852 5.787 1.00 0.00 H -ATOM 658 HD3 ARG A 38 9.960 9.620 6.423 1.00 0.00 H -ATOM 659 HE ARG A 38 12.723 9.110 6.958 1.00 0.00 H -ATOM 660 HH11 ARG A 38 9.880 10.876 8.111 1.00 0.00 H -ATOM 661 HH12 ARG A 38 10.360 10.924 9.739 1.00 0.00 H -ATOM 662 HH21 ARG A 38 13.421 9.170 9.207 1.00 0.00 H -ATOM 663 HH22 ARG A 38 12.432 9.904 10.375 1.00 0.00 H -ATOM 664 N ILE A 39 7.724 7.017 6.775 1.00 0.00 N -ATOM 665 CA ILE A 39 7.003 7.282 8.011 1.00 0.00 C -ATOM 666 C ILE A 39 7.063 6.071 8.947 1.00 0.00 C -ATOM 667 O ILE A 39 6.479 5.019 8.663 1.00 0.00 O -ATOM 668 CB ILE A 39 5.516 7.664 7.732 1.00 0.00 C -ATOM 669 CG1 ILE A 39 5.456 8.938 6.885 1.00 0.00 C -ATOM 670 CG2 ILE A 39 4.735 7.851 9.035 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.057 9.358 6.475 1.00 0.00 C -ATOM 672 H ILE A 39 7.241 6.699 5.984 1.00 0.00 H -ATOM 673 HA ILE A 39 7.493 8.121 8.482 1.00 0.00 H -ATOM 674 HB ILE A 39 5.058 6.859 7.178 1.00 0.00 H -ATOM 675 HG12 ILE A 39 5.888 9.754 7.444 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.035 8.786 5.985 1.00 0.00 H -ATOM 677 HG21 ILE A 39 5.172 8.651 9.613 1.00 0.00 H -ATOM 678 HG22 ILE A 39 4.770 6.936 9.609 1.00 0.00 H -ATOM 679 HG23 ILE A 39 3.707 8.089 8.808 1.00 0.00 H -ATOM 680 HD11 ILE A 39 3.467 9.573 7.354 1.00 0.00 H -ATOM 681 HD12 ILE A 39 3.595 8.559 5.914 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.123 10.240 5.854 1.00 0.00 H -ATOM 683 N GLU A 40 7.743 6.252 10.075 1.00 0.00 N -ATOM 684 CA GLU A 40 7.957 5.195 11.080 1.00 0.00 C -ATOM 685 C GLU A 40 6.642 4.642 11.608 1.00 0.00 C -ATOM 686 O GLU A 40 6.517 3.449 11.904 1.00 0.00 O -ATOM 687 CB GLU A 40 8.764 5.735 12.271 1.00 0.00 C -ATOM 688 CG GLU A 40 8.134 6.948 12.938 1.00 0.00 C -ATOM 689 CD GLU A 40 8.560 7.109 14.357 1.00 0.00 C -ATOM 690 OE1 GLU A 40 7.934 6.473 15.241 1.00 0.00 O -ATOM 691 OE2 GLU A 40 9.497 7.873 14.633 1.00 0.00 O -ATOM 692 H GLU A 40 8.124 7.143 10.240 1.00 0.00 H -ATOM 693 HA GLU A 40 8.518 4.397 10.619 1.00 0.00 H -ATOM 694 HB2 GLU A 40 8.847 4.956 13.014 1.00 0.00 H -ATOM 695 HB3 GLU A 40 9.754 6.008 11.937 1.00 0.00 H -ATOM 696 HG2 GLU A 40 8.426 7.834 12.397 1.00 0.00 H -ATOM 697 HG3 GLU A 40 7.060 6.842 12.904 1.00 0.00 H -ATOM 698 N ALA A 41 5.666 5.517 11.678 1.00 0.00 N -ATOM 699 CA ALA A 41 4.368 5.220 12.244 1.00 0.00 C -ATOM 700 C ALA A 41 3.584 4.276 11.372 1.00 0.00 C -ATOM 701 O ALA A 41 2.699 3.570 11.844 1.00 0.00 O -ATOM 702 CB ALA A 41 3.596 6.500 12.449 1.00 0.00 C -ATOM 703 H ALA A 41 5.868 6.407 11.325 1.00 0.00 H -ATOM 704 HA ALA A 41 4.526 4.773 13.213 1.00 0.00 H -ATOM 705 HB1 ALA A 41 4.170 7.159 13.083 1.00 0.00 H -ATOM 706 HB2 ALA A 41 2.649 6.278 12.917 1.00 0.00 H -ATOM 707 HB3 ALA A 41 3.422 6.979 11.497 1.00 0.00 H -ATOM 708 N ASN A 42 3.919 4.248 10.113 1.00 0.00 N -ATOM 709 CA ASN A 42 3.208 3.424 9.173 1.00 0.00 C -ATOM 710 C ASN A 42 3.992 2.179 8.836 1.00 0.00 C -ATOM 711 O ASN A 42 3.463 1.272 8.239 1.00 0.00 O -ATOM 712 CB ASN A 42 2.880 4.195 7.877 1.00 0.00 C -ATOM 713 CG ASN A 42 1.870 5.323 8.060 1.00 0.00 C -ATOM 714 OD1 ASN A 42 0.991 5.267 8.921 1.00 0.00 O -ATOM 715 ND2 ASN A 42 1.983 6.351 7.250 1.00 0.00 N -ATOM 716 H ASN A 42 4.685 4.780 9.807 1.00 0.00 H -ATOM 717 HA ASN A 42 2.277 3.130 9.635 1.00 0.00 H -ATOM 718 HB2 ASN A 42 3.791 4.626 7.488 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.487 3.499 7.150 1.00 0.00 H -ATOM 720 HD21 ASN A 42 2.700 6.339 6.582 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.347 7.092 7.344 1.00 0.00 H -ATOM 722 N LYS A 43 5.246 2.129 9.219 1.00 0.00 N -ATOM 723 CA LYS A 43 6.094 1.038 8.866 1.00 0.00 C -ATOM 724 C LYS A 43 5.637 -0.272 9.519 1.00 0.00 C -ATOM 725 O LYS A 43 5.159 -0.278 10.660 1.00 0.00 O -ATOM 726 CB LYS A 43 7.515 1.377 9.241 1.00 0.00 C -ATOM 727 CG LYS A 43 8.485 0.667 8.379 1.00 0.00 C -ATOM 728 CD LYS A 43 9.898 1.124 8.617 1.00 0.00 C -ATOM 729 CE LYS A 43 10.832 0.487 7.603 1.00 0.00 C -ATOM 730 NZ LYS A 43 12.232 0.887 7.796 1.00 0.00 N -ATOM 731 H LYS A 43 5.666 2.833 9.751 1.00 0.00 H -ATOM 732 HA LYS A 43 6.046 0.925 7.794 1.00 0.00 H -ATOM 733 HB2 LYS A 43 7.664 2.442 9.136 1.00 0.00 H -ATOM 734 HB3 LYS A 43 7.691 1.090 10.267 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.383 -0.391 8.555 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.178 0.920 7.377 1.00 0.00 H -ATOM 737 HD2 LYS A 43 9.925 2.202 8.528 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.197 0.840 9.613 1.00 0.00 H -ATOM 739 HE2 LYS A 43 10.758 -0.587 7.693 1.00 0.00 H -ATOM 740 HE3 LYS A 43 10.512 0.783 6.615 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 12.564 0.601 8.738 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 12.343 1.918 7.716 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.843 0.437 7.083 1.00 0.00 H -ATOM 744 N LEU A 44 5.758 -1.370 8.782 1.00 0.00 N -ATOM 745 CA LEU A 44 5.333 -2.672 9.276 1.00 0.00 C -ATOM 746 C LEU A 44 6.267 -3.216 10.353 1.00 0.00 C -ATOM 747 O LEU A 44 7.373 -2.698 10.553 1.00 0.00 O -ATOM 748 CB LEU A 44 5.170 -3.697 8.142 1.00 0.00 C -ATOM 749 CG LEU A 44 4.079 -3.410 7.102 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.962 -4.558 6.129 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.744 -3.160 7.768 1.00 0.00 C -ATOM 752 H LEU A 44 6.145 -1.299 7.880 1.00 0.00 H -ATOM 753 HA LEU A 44 4.368 -2.527 9.739 1.00 0.00 H -ATOM 754 HB2 LEU A 44 6.113 -3.771 7.620 1.00 0.00 H -ATOM 755 HB3 LEU A 44 4.960 -4.658 8.590 1.00 0.00 H -ATOM 756 HG LEU A 44 4.351 -2.529 6.541 1.00 0.00 H -ATOM 757 HD11 LEU A 44 3.743 -5.467 6.670 1.00 0.00 H -ATOM 758 HD12 LEU A 44 4.888 -4.673 5.585 1.00 0.00 H -ATOM 759 HD13 LEU A 44 3.159 -4.357 5.439 1.00 0.00 H -ATOM 760 HD21 LEU A 44 1.986 -3.030 7.010 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.823 -2.255 8.350 1.00 0.00 H -ATOM 762 HD23 LEU A 44 2.489 -3.991 8.408 1.00 0.00 H -ATOM 763 N ARG A 45 5.808 -4.277 11.014 1.00 0.00 N -ATOM 764 CA ARG A 45 6.515 -4.925 12.123 1.00 0.00 C -ATOM 765 C ARG A 45 7.897 -5.412 11.687 1.00 0.00 C -ATOM 766 O ARG A 45 8.894 -5.212 12.381 1.00 0.00 O -ATOM 767 CB ARG A 45 5.693 -6.119 12.604 1.00 0.00 C -ATOM 768 CG ARG A 45 6.271 -6.859 13.799 1.00 0.00 C -ATOM 769 CD ARG A 45 5.523 -8.159 14.026 1.00 0.00 C -ATOM 770 NE ARG A 45 5.705 -9.082 12.890 1.00 0.00 N -ATOM 771 CZ ARG A 45 4.722 -9.760 12.265 1.00 0.00 C -ATOM 772 NH1 ARG A 45 3.463 -9.661 12.676 1.00 0.00 N -ATOM 773 NH2 ARG A 45 5.011 -10.552 11.238 1.00 0.00 N -ATOM 774 H ARG A 45 4.936 -4.644 10.742 1.00 0.00 H -ATOM 775 HA ARG A 45 6.613 -4.222 12.937 1.00 0.00 H -ATOM 776 HB2 ARG A 45 4.706 -5.771 12.871 1.00 0.00 H -ATOM 777 HB3 ARG A 45 5.602 -6.818 11.785 1.00 0.00 H -ATOM 778 HG2 ARG A 45 7.311 -7.077 13.607 1.00 0.00 H -ATOM 779 HG3 ARG A 45 6.180 -6.236 14.677 1.00 0.00 H -ATOM 780 HD2 ARG A 45 5.888 -8.629 14.928 1.00 0.00 H -ATOM 781 HD3 ARG A 45 4.472 -7.934 14.129 1.00 0.00 H -ATOM 782 HE ARG A 45 6.640 -9.183 12.602 1.00 0.00 H -ATOM 783 HH11 ARG A 45 3.181 -9.101 13.461 1.00 0.00 H -ATOM 784 HH12 ARG A 45 2.710 -10.134 12.209 1.00 0.00 H -ATOM 785 HH21 ARG A 45 5.944 -10.681 10.887 1.00 0.00 H -ATOM 786 HH22 ARG A 45 4.293 -11.076 10.770 1.00 0.00 H -ATOM 787 N GLY A 46 7.939 -6.056 10.556 1.00 0.00 N -ATOM 788 CA GLY A 46 9.168 -6.565 10.046 1.00 0.00 C -ATOM 789 C GLY A 46 8.999 -7.022 8.640 1.00 0.00 C -ATOM 790 O GLY A 46 8.680 -8.183 8.396 1.00 0.00 O -ATOM 791 H GLY A 46 7.114 -6.190 10.044 1.00 0.00 H -ATOM 792 HA2 GLY A 46 9.911 -5.783 10.087 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.490 -7.399 10.652 1.00 0.00 H -ATOM 794 N MET A 47 9.157 -6.102 7.725 1.00 0.00 N -ATOM 795 CA MET A 47 9.012 -6.340 6.301 1.00 0.00 C -ATOM 796 C MET A 47 9.952 -5.397 5.581 1.00 0.00 C -ATOM 797 O MET A 47 10.157 -4.284 6.074 1.00 0.00 O -ATOM 798 CB MET A 47 7.573 -6.060 5.846 1.00 0.00 C -ATOM 799 CG MET A 47 6.528 -7.064 6.312 1.00 0.00 C -ATOM 800 SD MET A 47 6.783 -8.716 5.636 1.00 0.00 S -ATOM 801 CE MET A 47 6.656 -8.377 3.883 1.00 0.00 C -ATOM 802 H MET A 47 9.430 -5.195 7.989 1.00 0.00 H -ATOM 803 HA MET A 47 9.270 -7.368 6.099 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.293 -5.092 6.235 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.555 -6.014 4.767 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.568 -7.123 7.390 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.553 -6.714 6.012 1.00 0.00 H -ATOM 808 HE1 MET A 47 7.447 -7.707 3.582 1.00 0.00 H -ATOM 809 HE2 MET A 47 5.704 -7.906 3.683 1.00 0.00 H -ATOM 810 HE3 MET A 47 6.728 -9.297 3.326 1.00 0.00 H -ATOM 811 N PRO A 48 10.544 -5.809 4.426 1.00 0.00 N -ATOM 812 CA PRO A 48 11.510 -4.981 3.662 1.00 0.00 C -ATOM 813 C PRO A 48 10.952 -3.619 3.218 1.00 0.00 C -ATOM 814 O PRO A 48 10.331 -3.502 2.139 1.00 0.00 O -ATOM 815 CB PRO A 48 11.855 -5.846 2.442 1.00 0.00 C -ATOM 816 CG PRO A 48 11.544 -7.235 2.873 1.00 0.00 C -ATOM 817 CD PRO A 48 10.348 -7.122 3.773 1.00 0.00 C -ATOM 818 HA PRO A 48 12.401 -4.807 4.241 1.00 0.00 H -ATOM 819 HB2 PRO A 48 11.249 -5.541 1.602 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.901 -5.736 2.195 1.00 0.00 H -ATOM 821 HG2 PRO A 48 11.317 -7.846 2.011 1.00 0.00 H -ATOM 822 HG3 PRO A 48 12.382 -7.647 3.416 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.441 -7.133 3.186 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.348 -7.924 4.497 1.00 0.00 H -ATOM 825 N ASP A 49 11.126 -2.619 4.093 1.00 0.00 N -ATOM 826 CA ASP A 49 10.666 -1.230 3.892 1.00 0.00 C -ATOM 827 C ASP A 49 9.225 -1.168 3.440 1.00 0.00 C -ATOM 828 O ASP A 49 8.864 -0.432 2.515 1.00 0.00 O -ATOM 829 CB ASP A 49 11.592 -0.407 2.974 1.00 0.00 C -ATOM 830 CG ASP A 49 12.935 -0.090 3.612 1.00 0.00 C -ATOM 831 OD1 ASP A 49 13.007 0.049 4.873 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.938 0.068 2.874 1.00 0.00 O -ATOM 833 H ASP A 49 11.578 -2.844 4.938 1.00 0.00 H -ATOM 834 HA ASP A 49 10.678 -0.781 4.875 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.772 -0.967 2.068 1.00 0.00 H -ATOM 836 HB3 ASP A 49 11.099 0.520 2.721 1.00 0.00 H -ATOM 837 N CYS A 50 8.401 -1.949 4.091 1.00 0.00 N -ATOM 838 CA CYS A 50 7.000 -1.981 3.786 1.00 0.00 C -ATOM 839 C CYS A 50 6.240 -1.175 4.824 1.00 0.00 C -ATOM 840 O CYS A 50 6.591 -1.188 6.021 1.00 0.00 O -ATOM 841 CB CYS A 50 6.502 -3.418 3.744 1.00 0.00 C -ATOM 842 SG CYS A 50 7.418 -4.494 2.610 1.00 0.00 S -ATOM 843 H CYS A 50 8.752 -2.514 4.810 1.00 0.00 H -ATOM 844 HA CYS A 50 6.852 -1.523 2.823 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.593 -3.836 4.734 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.464 -3.425 3.448 1.00 0.00 H -ATOM 847 HG CYS A 50 8.565 -3.885 2.325 1.00 0.00 H -ATOM 848 N TYR A 51 5.230 -0.478 4.383 1.00 0.00 N -ATOM 849 CA TYR A 51 4.462 0.391 5.238 1.00 0.00 C -ATOM 850 C TYR A 51 2.979 0.096 5.044 1.00 0.00 C -ATOM 851 O TYR A 51 2.581 -0.507 4.031 1.00 0.00 O -ATOM 852 CB TYR A 51 4.756 1.883 4.933 1.00 0.00 C -ATOM 853 CG TYR A 51 6.223 2.314 5.050 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.150 1.959 4.084 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.666 3.084 6.111 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.471 2.346 4.170 1.00 0.00 C -ATOM 857 CE2 TYR A 51 7.995 3.479 6.204 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.889 3.102 5.226 1.00 0.00 C -ATOM 859 OH TYR A 51 10.213 3.492 5.306 1.00 0.00 O -ATOM 860 H TYR A 51 4.958 -0.569 3.441 1.00 0.00 H -ATOM 861 HA TYR A 51 4.730 0.177 6.262 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.436 2.098 3.925 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.177 2.490 5.614 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.824 1.356 3.249 1.00 0.00 H -ATOM 865 HD2 TYR A 51 5.964 3.378 6.878 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.170 2.052 3.401 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.323 4.077 7.041 1.00 0.00 H -ATOM 868 HH TYR A 51 10.513 3.752 4.423 1.00 0.00 H -ATOM 869 N LYS A 52 2.193 0.517 5.992 1.00 0.00 N -ATOM 870 CA LYS A 52 0.778 0.277 6.027 1.00 0.00 C -ATOM 871 C LYS A 52 0.042 1.609 5.935 1.00 0.00 C -ATOM 872 O LYS A 52 0.616 2.669 6.192 1.00 0.00 O -ATOM 873 CB LYS A 52 0.400 -0.379 7.389 1.00 0.00 C -ATOM 874 CG LYS A 52 0.395 0.621 8.571 1.00 0.00 C -ATOM 875 CD LYS A 52 0.224 -0.021 9.943 1.00 0.00 C -ATOM 876 CE LYS A 52 1.479 -0.752 10.388 1.00 0.00 C -ATOM 877 NZ LYS A 52 1.379 -1.206 11.785 1.00 0.00 N -ATOM 878 H LYS A 52 2.581 1.033 6.731 1.00 0.00 H -ATOM 879 HA LYS A 52 0.487 -0.390 5.230 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.584 -0.815 7.303 1.00 0.00 H -ATOM 881 HB3 LYS A 52 1.114 -1.157 7.610 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.333 1.156 8.568 1.00 0.00 H -ATOM 883 HG3 LYS A 52 -0.405 1.330 8.410 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -0.006 0.745 10.666 1.00 0.00 H -ATOM 885 HD3 LYS A 52 -0.596 -0.725 9.898 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.603 -1.623 9.764 1.00 0.00 H -ATOM 887 HE3 LYS A 52 2.332 -0.097 10.283 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 0.570 -1.848 11.908 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 1.263 -0.396 12.427 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 2.241 -1.711 12.065 1.00 0.00 H -ATOM 891 N ILE A 53 -1.182 1.546 5.536 1.00 0.00 N -ATOM 892 CA ILE A 53 -2.084 2.658 5.628 1.00 0.00 C -ATOM 893 C ILE A 53 -3.326 2.137 6.292 1.00 0.00 C -ATOM 894 O ILE A 53 -3.801 1.048 5.949 1.00 0.00 O -ATOM 895 CB ILE A 53 -2.475 3.272 4.250 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -1.239 3.757 3.504 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -3.468 4.436 4.440 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -1.534 4.306 2.129 1.00 0.00 C -ATOM 899 H ILE A 53 -1.494 0.704 5.137 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.631 3.411 6.257 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.969 2.509 3.670 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.755 4.531 4.082 1.00 0.00 H -ATOM 903 HG13 ILE A 53 -0.567 2.918 3.398 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -3.735 4.843 3.475 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -3.017 5.216 5.036 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -4.357 4.075 4.935 1.00 0.00 H -ATOM 907 HD11 ILE A 53 -1.933 3.521 1.506 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -0.633 4.706 1.687 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -2.267 5.093 2.215 1.00 0.00 H -ATOM 910 N LYS A 54 -3.817 2.858 7.244 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.022 2.496 7.910 1.00 0.00 C -ATOM 912 C LYS A 54 -6.029 3.576 7.637 1.00 0.00 C -ATOM 913 O LYS A 54 -5.755 4.759 7.862 1.00 0.00 O -ATOM 914 CB LYS A 54 -4.843 2.208 9.433 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.337 3.355 10.301 1.00 0.00 C -ATOM 916 CD LYS A 54 -2.857 3.659 10.107 1.00 0.00 C -ATOM 917 CE LYS A 54 -2.495 4.876 10.896 1.00 0.00 C -ATOM 918 NZ LYS A 54 -1.077 5.275 10.739 1.00 0.00 N -ATOM 919 H LYS A 54 -3.390 3.708 7.467 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.362 1.604 7.415 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.803 1.911 9.830 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.162 1.377 9.539 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.902 4.243 10.060 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -4.512 3.099 11.336 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -2.275 2.823 10.465 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -2.630 3.836 9.069 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -3.145 5.652 10.522 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -2.723 4.671 11.932 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -0.450 4.491 11.006 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -0.843 6.059 11.382 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -0.848 5.562 9.765 1.00 0.00 H -ATOM 932 N LEU A 55 -7.144 3.197 7.085 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.135 4.151 6.679 1.00 0.00 C -ATOM 934 C LEU A 55 -8.858 4.724 7.885 1.00 0.00 C -ATOM 935 O LEU A 55 -9.211 4.001 8.817 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.118 3.523 5.696 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.961 4.492 4.875 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -9.067 5.332 4.016 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -10.944 3.732 4.022 1.00 0.00 C -ATOM 940 H LEU A 55 -7.314 2.241 6.932 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.612 4.953 6.180 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.557 2.903 5.012 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.787 2.888 6.258 1.00 0.00 H -ATOM 944 HG LEU A 55 -10.509 5.195 5.482 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -8.493 4.701 3.356 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -8.411 5.928 4.630 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -9.691 5.985 3.430 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.550 4.427 3.458 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -11.571 3.119 4.650 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -10.391 3.107 3.338 1.00 0.00 H -ATOM 951 N ARG A 56 -9.044 6.021 7.862 1.00 0.00 N -ATOM 952 CA ARG A 56 -9.679 6.750 8.943 1.00 0.00 C -ATOM 953 C ARG A 56 -11.168 6.400 9.091 1.00 0.00 C -ATOM 954 O ARG A 56 -11.670 6.268 10.203 1.00 0.00 O -ATOM 955 CB ARG A 56 -9.509 8.261 8.711 1.00 0.00 C -ATOM 956 CG ARG A 56 -10.166 9.151 9.761 1.00 0.00 C -ATOM 957 CD ARG A 56 -9.572 8.936 11.137 1.00 0.00 C -ATOM 958 NE ARG A 56 -10.201 9.798 12.142 1.00 0.00 N -ATOM 959 CZ ARG A 56 -9.765 9.954 13.393 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -8.713 9.281 13.816 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -10.401 10.767 14.225 1.00 0.00 N -ATOM 962 H ARG A 56 -8.707 6.526 7.091 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.165 6.493 9.857 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -8.454 8.489 8.695 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -9.928 8.506 7.746 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -10.026 10.184 9.485 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -11.223 8.929 9.795 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -9.719 7.905 11.424 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -8.515 9.154 11.101 1.00 0.00 H -ATOM 970 HE ARG A 56 -11.001 10.284 11.835 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -8.220 8.637 13.224 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -8.352 9.401 14.743 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -11.218 11.280 13.947 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -10.108 10.899 15.177 1.00 0.00 H -ATOM 975 N SER A 57 -11.849 6.253 7.989 1.00 0.00 N -ATOM 976 CA SER A 57 -13.268 6.020 8.005 1.00 0.00 C -ATOM 977 C SER A 57 -13.626 4.538 8.200 1.00 0.00 C -ATOM 978 O SER A 57 -14.255 4.159 9.196 1.00 0.00 O -ATOM 979 CB SER A 57 -13.841 6.566 6.713 1.00 0.00 C -ATOM 980 OG SER A 57 -13.029 6.148 5.619 1.00 0.00 O -ATOM 981 H SER A 57 -11.410 6.297 7.115 1.00 0.00 H -ATOM 982 HA SER A 57 -13.685 6.594 8.819 1.00 0.00 H -ATOM 983 HB2 SER A 57 -14.846 6.193 6.573 1.00 0.00 H -ATOM 984 HB3 SER A 57 -13.851 7.645 6.745 1.00 0.00 H -ATOM 985 HG SER A 57 -12.828 6.941 5.095 1.00 0.00 H -ATOM 986 N SER A 58 -13.241 3.717 7.255 1.00 0.00 N -ATOM 987 CA SER A 58 -13.543 2.309 7.305 1.00 0.00 C -ATOM 988 C SER A 58 -12.296 1.522 7.682 1.00 0.00 C -ATOM 989 O SER A 58 -11.181 2.024 7.531 1.00 0.00 O -ATOM 990 CB SER A 58 -14.071 1.871 5.948 1.00 0.00 C -ATOM 991 OG SER A 58 -15.154 2.703 5.554 1.00 0.00 O -ATOM 992 H SER A 58 -12.722 4.075 6.503 1.00 0.00 H -ATOM 993 HA SER A 58 -14.307 2.148 8.049 1.00 0.00 H -ATOM 994 HB2 SER A 58 -13.287 1.944 5.210 1.00 0.00 H -ATOM 995 HB3 SER A 58 -14.422 0.851 6.007 1.00 0.00 H -ATOM 996 HG SER A 58 -14.974 3.594 5.875 1.00 0.00 H -ATOM 997 N GLY A 59 -12.480 0.299 8.146 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.371 -0.528 8.561 1.00 0.00 C -ATOM 999 C GLY A 59 -10.659 -1.172 7.391 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.676 -2.387 7.229 1.00 0.00 O -ATOM 1001 H GLY A 59 -13.384 -0.075 8.209 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.665 0.080 9.109 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.742 -1.305 9.214 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.061 -0.362 6.576 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.310 -0.828 5.447 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.856 -0.509 5.618 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.494 0.562 6.125 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.853 -0.280 4.131 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.017 -1.077 3.596 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.311 -0.899 4.073 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -10.810 -2.025 2.612 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.358 -1.653 3.576 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -11.843 -2.773 2.110 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.111 -2.590 2.591 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.133 -3.359 2.097 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.114 0.601 6.766 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.421 -1.905 5.441 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.186 0.737 4.282 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.068 -0.292 3.390 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.492 -0.164 4.843 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -9.809 -2.173 2.232 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.359 -1.504 3.954 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -11.654 -3.507 1.341 1.00 0.00 H -ATOM 1024 HH TYR A 60 -14.865 -2.761 1.901 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.035 -1.443 5.238 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.623 -1.349 5.386 1.00 0.00 C -ATOM 1027 C ARG A 61 -4.948 -1.632 4.061 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.352 -2.531 3.319 1.00 0.00 O -ATOM 1029 CB ARG A 61 -5.179 -2.334 6.460 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.756 -2.000 7.824 1.00 0.00 C -ATOM 1031 CD ARG A 61 -5.569 -3.118 8.810 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.029 -2.722 10.150 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -6.269 -3.541 11.184 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -6.212 -4.866 11.044 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -6.616 -3.023 12.349 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.377 -2.263 4.817 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.376 -0.350 5.710 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.501 -3.326 6.179 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -4.102 -2.318 6.532 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -5.267 -1.117 8.206 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -6.812 -1.799 7.710 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -6.140 -3.967 8.460 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -4.522 -3.371 8.834 1.00 0.00 H -ATOM 1044 HE ARG A 61 -6.151 -1.751 10.280 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -6.004 -5.317 10.166 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -6.373 -5.486 11.816 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -6.702 -2.031 12.469 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -6.823 -3.598 13.145 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.959 -0.862 3.758 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.230 -0.991 2.521 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.767 -1.225 2.866 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.252 -0.598 3.787 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.453 0.301 1.678 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.913 0.352 0.227 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.566 1.492 -0.525 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.423 0.566 0.207 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.686 -0.172 4.401 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.612 -1.844 1.986 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.514 0.495 1.638 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -2.998 1.115 2.224 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.140 -0.574 -0.280 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.364 2.421 -0.014 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -4.632 1.329 -0.583 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.152 1.534 -1.522 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -0.931 -0.259 0.702 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.212 1.483 0.737 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.080 0.646 -0.813 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.125 -2.153 2.177 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.272 -2.474 2.422 1.00 0.00 C -ATOM 1070 C VAL A 63 1.091 -2.346 1.141 1.00 0.00 C -ATOM 1071 O VAL A 63 0.745 -2.923 0.092 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.443 -3.896 3.036 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.913 -4.287 3.128 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.187 -3.946 4.415 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.580 -2.645 1.455 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.645 -1.747 3.128 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.067 -4.609 2.405 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.443 -3.546 3.707 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.337 -4.333 2.136 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 2.002 -5.251 3.607 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 0.276 -3.204 5.049 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.031 -4.926 4.842 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -1.245 -3.746 4.337 1.00 0.00 H -ATOM 1084 N TYR A 64 2.160 -1.605 1.226 1.00 0.00 N -ATOM 1085 CA TYR A 64 3.024 -1.375 0.101 1.00 0.00 C -ATOM 1086 C TYR A 64 4.464 -1.461 0.527 1.00 0.00 C -ATOM 1087 O TYR A 64 4.773 -1.305 1.712 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.743 0.008 -0.531 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.825 1.177 0.429 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.039 1.667 0.895 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.681 1.783 0.862 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.083 2.721 1.768 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.717 2.834 1.723 1.00 0.00 C -ATOM 1094 CZ TYR A 64 2.913 3.301 2.181 1.00 0.00 C -ATOM 1095 OH TYR A 64 2.937 4.332 3.073 1.00 0.00 O -ATOM 1096 H TYR A 64 2.401 -1.204 2.092 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.825 -2.136 -0.640 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.437 0.196 -1.336 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.743 -0.001 -0.938 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.954 1.200 0.564 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.736 1.414 0.499 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.035 3.093 2.118 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.790 3.288 2.032 1.00 0.00 H -ATOM 1104 HH TYR A 64 2.269 4.159 3.742 1.00 0.00 H -ATOM 1105 N GLN A 65 5.325 -1.708 -0.409 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.728 -1.674 -0.154 1.00 0.00 C -ATOM 1107 C GLN A 65 7.291 -0.459 -0.825 1.00 0.00 C -ATOM 1108 O GLN A 65 6.935 -0.143 -1.969 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.464 -2.939 -0.630 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.325 -3.254 -2.118 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.185 -4.427 -2.568 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.816 -5.163 -3.478 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.355 -4.582 -1.982 1.00 0.00 N -ATOM 1114 H GLN A 65 5.009 -1.891 -1.323 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.862 -1.559 0.910 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.513 -2.812 -0.413 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 7.098 -3.783 -0.064 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.292 -3.485 -2.330 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.616 -2.376 -2.677 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.638 -3.945 -1.291 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.909 -5.333 -2.270 1.00 0.00 H -ATOM 1122 N VAL A 66 8.096 0.259 -0.134 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.731 1.372 -0.732 1.00 0.00 C -ATOM 1124 C VAL A 66 10.023 0.891 -1.298 1.00 0.00 C -ATOM 1125 O VAL A 66 10.919 0.469 -0.566 1.00 0.00 O -ATOM 1126 CB VAL A 66 8.966 2.535 0.261 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.696 3.686 -0.416 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.644 3.019 0.817 1.00 0.00 C -ATOM 1129 H VAL A 66 8.300 0.031 0.803 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.108 1.712 -1.545 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.569 2.172 1.080 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 10.661 3.339 -0.756 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 9.827 4.494 0.288 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.118 4.032 -1.259 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.821 3.798 1.543 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.136 2.193 1.294 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 7.027 3.401 0.019 1.00 0.00 H -ATOM 1138 N ILE A 67 10.102 0.882 -2.583 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.281 0.464 -3.233 1.00 0.00 C -ATOM 1140 C ILE A 67 12.110 1.694 -3.445 1.00 0.00 C -ATOM 1141 O ILE A 67 11.909 2.445 -4.415 1.00 0.00 O -ATOM 1142 CB ILE A 67 10.985 -0.213 -4.599 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 9.969 -1.353 -4.425 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.277 -0.750 -5.215 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.549 -2.005 -5.729 1.00 0.00 C -ATOM 1146 H ILE A 67 9.349 1.199 -3.134 1.00 0.00 H -ATOM 1147 HA ILE A 67 11.805 -0.228 -2.591 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.570 0.530 -5.265 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.404 -2.118 -3.799 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.083 -0.965 -3.944 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 12.717 -1.479 -4.552 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 12.973 0.063 -5.358 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 12.061 -1.213 -6.167 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 8.857 -2.809 -5.527 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 10.423 -2.386 -6.236 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 9.072 -1.267 -6.357 1.00 0.00 H -ATOM 1157 N ASP A 68 13.013 1.926 -2.532 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.886 3.085 -2.589 1.00 0.00 C -ATOM 1159 C ASP A 68 14.860 2.961 -3.720 1.00 0.00 C -ATOM 1160 O ASP A 68 15.349 3.959 -4.236 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.627 3.321 -1.269 1.00 0.00 C -ATOM 1162 CG ASP A 68 13.974 4.363 -0.396 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 14.212 5.575 -0.642 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 13.263 4.014 0.571 1.00 0.00 O -ATOM 1165 H ASP A 68 13.096 1.291 -1.784 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.257 3.941 -2.789 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 14.671 2.396 -0.713 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.631 3.649 -1.491 1.00 0.00 H -ATOM 1169 N GLU A 69 15.096 1.725 -4.135 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.017 1.423 -5.216 1.00 0.00 C -ATOM 1171 C GLU A 69 15.513 2.037 -6.528 1.00 0.00 C -ATOM 1172 O GLU A 69 16.282 2.569 -7.318 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.130 -0.094 -5.426 1.00 0.00 C -ATOM 1174 CG GLU A 69 16.255 -0.941 -4.163 1.00 0.00 C -ATOM 1175 CD GLU A 69 17.319 -0.469 -3.213 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 18.511 -0.625 -3.513 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 16.969 0.076 -2.146 1.00 0.00 O -ATOM 1178 H GLU A 69 14.654 0.997 -3.648 1.00 0.00 H -ATOM 1179 HA GLU A 69 16.992 1.817 -4.971 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.244 -0.421 -5.950 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 16.986 -0.289 -6.054 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 15.305 -0.934 -3.652 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 16.481 -1.955 -4.458 1.00 0.00 H -ATOM 1184 N LYS A 70 14.209 1.961 -6.739 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.607 2.433 -7.980 1.00 0.00 C -ATOM 1186 C LYS A 70 12.838 3.724 -7.762 1.00 0.00 C -ATOM 1187 O LYS A 70 12.301 4.300 -8.706 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.690 1.360 -8.586 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.403 0.086 -8.996 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.435 -0.928 -9.588 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.147 -2.209 -10.014 1.00 0.00 C -ATOM 1192 NZ LYS A 70 14.177 -1.962 -11.047 1.00 0.00 N -ATOM 1193 H LYS A 70 13.636 1.599 -6.031 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.411 2.626 -8.673 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 11.962 1.082 -7.840 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.185 1.766 -9.451 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.157 0.323 -9.733 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 13.872 -0.344 -8.124 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 11.686 -1.176 -8.851 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 11.959 -0.490 -10.453 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 13.621 -2.652 -9.150 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 12.414 -2.897 -10.408 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 13.757 -1.537 -11.897 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 14.614 -2.856 -11.350 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 14.942 -1.343 -10.716 1.00 0.00 H -ATOM 1206 N VAL A 71 12.806 4.175 -6.506 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.112 5.407 -6.092 1.00 0.00 C -ATOM 1208 C VAL A 71 10.585 5.251 -6.360 1.00 0.00 C -ATOM 1209 O VAL A 71 9.886 6.181 -6.771 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.721 6.678 -6.820 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 12.186 7.984 -6.236 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.249 6.668 -6.755 1.00 0.00 C -ATOM 1213 H VAL A 71 13.273 3.654 -5.821 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.246 5.499 -5.025 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.427 6.635 -7.858 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 11.116 8.018 -6.364 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.638 8.820 -6.750 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.425 8.033 -5.183 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.621 5.781 -7.246 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.563 6.662 -5.722 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.641 7.546 -7.248 1.00 0.00 H -ATOM 1222 N VAL A 72 10.071 4.079 -6.065 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.679 3.784 -6.311 1.00 0.00 C -ATOM 1224 C VAL A 72 8.057 3.082 -5.105 1.00 0.00 C -ATOM 1225 O VAL A 72 8.685 2.254 -4.451 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.500 2.918 -7.614 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.216 1.591 -7.499 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.027 2.699 -7.959 1.00 0.00 C -ATOM 1229 H VAL A 72 10.629 3.394 -5.635 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.167 4.725 -6.458 1.00 0.00 H -ATOM 1231 HB VAL A 72 8.963 3.461 -8.426 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 9.136 1.053 -8.430 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 8.756 1.015 -6.709 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 10.252 1.775 -7.263 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.949 2.106 -8.858 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.540 3.651 -8.113 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.543 2.180 -7.146 1.00 0.00 H -ATOM 1238 N VAL A 73 6.870 3.465 -4.798 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.088 2.861 -3.781 1.00 0.00 C -ATOM 1240 C VAL A 73 5.192 1.840 -4.470 1.00 0.00 C -ATOM 1241 O VAL A 73 4.350 2.195 -5.308 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.244 3.935 -3.051 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.342 3.316 -2.012 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.148 4.980 -2.408 1.00 0.00 C -ATOM 1245 H VAL A 73 6.459 4.199 -5.301 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.743 2.365 -3.080 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.636 4.434 -3.789 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 3.769 4.091 -1.523 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 4.939 2.798 -1.275 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.669 2.618 -2.486 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 5.550 5.705 -1.874 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 6.711 5.482 -3.181 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 6.833 4.500 -1.726 1.00 0.00 H -ATOM 1254 N PHE A 74 5.399 0.597 -4.158 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.727 -0.484 -4.828 1.00 0.00 C -ATOM 1256 C PHE A 74 3.726 -1.141 -3.896 1.00 0.00 C -ATOM 1257 O PHE A 74 4.107 -1.761 -2.899 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.785 -1.486 -5.312 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.267 -2.646 -6.110 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.848 -2.468 -7.413 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 5.234 -3.921 -5.563 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.401 -3.535 -8.160 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.784 -4.992 -6.304 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.370 -4.799 -7.607 1.00 0.00 C -ATOM 1265 H PHE A 74 6.022 0.373 -3.430 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.214 -0.084 -5.689 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.498 -0.965 -5.933 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.302 -1.879 -4.450 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 4.870 -1.480 -7.849 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.556 -4.071 -4.544 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.075 -3.380 -9.177 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.761 -5.980 -5.868 1.00 0.00 H -ATOM 1273 HZ PHE A 74 4.020 -5.635 -8.194 1.00 0.00 H -ATOM 1274 N VAL A 75 2.457 -0.976 -4.201 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.387 -1.550 -3.403 1.00 0.00 C -ATOM 1276 C VAL A 75 1.309 -3.041 -3.667 1.00 0.00 C -ATOM 1277 O VAL A 75 1.136 -3.465 -4.809 1.00 0.00 O -ATOM 1278 CB VAL A 75 0.015 -0.876 -3.696 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.093 -1.471 -2.825 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.105 0.632 -3.485 1.00 0.00 C -ATOM 1281 H VAL A 75 2.240 -0.462 -5.014 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.639 -1.407 -2.363 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.239 -1.060 -4.729 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -2.034 -0.985 -3.041 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -0.851 -1.334 -1.781 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -1.182 -2.527 -3.029 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.844 1.042 -4.156 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 0.393 0.841 -2.466 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 -0.856 1.084 -3.688 1.00 0.00 H -ATOM 1290 N ILE A 76 1.449 -3.820 -2.619 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.485 -5.265 -2.743 1.00 0.00 C -ATOM 1292 C ILE A 76 0.092 -5.842 -2.530 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.343 -6.737 -3.255 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.446 -5.882 -1.692 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.817 -5.195 -1.749 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.600 -7.389 -1.929 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.766 -5.626 -0.652 1.00 0.00 C -ATOM 1298 H ILE A 76 1.519 -3.413 -1.728 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.841 -5.521 -3.731 1.00 0.00 H -ATOM 1300 HB ILE A 76 2.019 -5.734 -0.711 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.286 -5.420 -2.696 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.679 -4.126 -1.672 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 3.282 -7.795 -1.197 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 2.992 -7.563 -2.920 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 1.639 -7.872 -1.832 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 4.908 -6.696 -0.701 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.351 -5.356 0.309 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 5.717 -5.132 -0.787 1.00 0.00 H -ATOM 1309 N SER A 77 -0.609 -5.314 -1.545 1.00 0.00 N -ATOM 1310 CA SER A 77 -1.923 -5.784 -1.224 1.00 0.00 C -ATOM 1311 C SER A 77 -2.694 -4.661 -0.552 1.00 0.00 C -ATOM 1312 O SER A 77 -2.099 -3.750 0.047 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.837 -7.025 -0.304 1.00 0.00 C -ATOM 1314 OG SER A 77 -3.115 -7.620 -0.099 1.00 0.00 O -ATOM 1315 H SER A 77 -0.257 -4.569 -1.009 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.417 -6.057 -2.144 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.184 -7.757 -0.757 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -1.431 -6.730 0.652 1.00 0.00 H -ATOM 1319 HG SER A 77 -3.341 -8.040 -0.939 1.00 0.00 H -ATOM 1320 N VAL A 78 -3.986 -4.708 -0.665 1.00 0.00 N -ATOM 1321 CA VAL A 78 -4.857 -3.720 -0.101 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.163 -4.401 0.266 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.560 -5.362 -0.402 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.099 -2.543 -1.117 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.714 -3.033 -2.422 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -5.951 -1.443 -0.510 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.408 -5.460 -1.134 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.391 -3.332 0.792 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.133 -2.127 -1.362 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -5.047 -3.744 -2.887 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.866 -2.196 -3.088 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -6.661 -3.510 -2.219 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -6.080 -0.654 -1.236 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -5.456 -1.050 0.365 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.916 -1.840 -0.231 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.776 -3.993 1.350 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.053 -4.536 1.684 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.278 -4.598 3.160 1.00 0.00 C -ATOM 1339 O GLY A 79 -7.919 -3.681 3.891 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.354 -3.352 1.971 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.825 -3.929 1.235 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.113 -5.535 1.280 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.867 -5.652 3.601 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.143 -5.837 4.988 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.222 -6.881 5.554 1.00 0.00 C -ATOM 1346 O LYS A 80 -8.481 -8.077 5.473 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.608 -6.189 5.209 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.559 -5.054 4.850 1.00 0.00 C -ATOM 1349 CD LYS A 80 -13.020 -5.448 4.999 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.429 -6.525 4.004 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -13.323 -6.074 2.597 1.00 0.00 N -ATOM 1352 H LYS A 80 -9.120 -6.358 2.968 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.931 -4.900 5.481 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.840 -7.040 4.587 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.758 -6.458 6.242 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.357 -4.216 5.501 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.373 -4.759 3.827 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -13.178 -5.828 5.997 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.637 -4.575 4.847 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -12.779 -7.374 4.143 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -14.448 -6.808 4.214 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -13.617 -6.820 1.935 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -12.342 -5.843 2.353 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -13.918 -5.236 2.415 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.116 -6.414 6.048 1.00 0.00 N -ATOM 1366 CA ALA A 81 -6.110 -7.251 6.619 1.00 0.00 C -ATOM 1367 C ALA A 81 -6.349 -7.380 8.091 1.00 0.00 C -ATOM 1368 O ALA A 81 -6.232 -6.388 8.812 1.00 0.00 O -ATOM 1369 CB ALA A 81 -4.765 -6.619 6.400 1.00 0.00 C -ATOM 1370 H ALA A 81 -6.980 -5.446 6.037 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.113 -8.216 6.132 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -4.594 -6.493 5.342 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -4.002 -7.252 6.824 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -4.742 -5.653 6.884 1.00 0.00 H -ATOM 1375 N GLU A 82 -6.679 -8.566 8.548 1.00 0.00 N -ATOM 1376 CA GLU A 82 -6.921 -8.769 9.962 1.00 0.00 C -ATOM 1377 C GLU A 82 -5.607 -8.608 10.748 1.00 0.00 C -ATOM 1378 O GLU A 82 -5.545 -7.853 11.732 1.00 0.00 O -ATOM 1379 CB GLU A 82 -7.630 -10.130 10.252 1.00 0.00 C -ATOM 1380 CG GLU A 82 -6.794 -11.405 10.078 1.00 0.00 C -ATOM 1381 CD GLU A 82 -6.225 -11.598 8.693 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -5.103 -11.109 8.436 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -6.862 -12.255 7.857 1.00 0.00 O -ATOM 1384 H GLU A 82 -6.768 -9.320 7.926 1.00 0.00 H -ATOM 1385 HA GLU A 82 -7.563 -7.962 10.278 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -7.983 -10.114 11.273 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -8.492 -10.200 9.604 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -5.967 -11.341 10.770 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -7.407 -12.256 10.334 1.00 0.00 H -ATOM 1390 N ALA A 83 -4.555 -9.265 10.257 1.00 0.00 N -ATOM 1391 CA ALA A 83 -3.237 -9.216 10.847 1.00 0.00 C -ATOM 1392 C ALA A 83 -2.207 -9.909 9.955 1.00 0.00 C -ATOM 1393 O ALA A 83 -1.191 -9.326 9.604 1.00 0.00 O -ATOM 1394 CB ALA A 83 -3.235 -9.874 12.220 1.00 0.00 C -ATOM 1395 H ALA A 83 -4.703 -9.829 9.459 1.00 0.00 H -ATOM 1396 HA ALA A 83 -2.963 -8.178 10.971 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -2.257 -9.763 12.660 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -3.468 -10.923 12.115 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -3.973 -9.399 12.850 1.00 0.00 H -ATOM 1400 N SER A 84 -2.491 -11.125 9.549 1.00 0.00 N -ATOM 1401 CA SER A 84 -1.495 -11.937 8.868 1.00 0.00 C -ATOM 1402 C SER A 84 -1.733 -12.046 7.350 1.00 0.00 C -ATOM 1403 O SER A 84 -0.816 -12.424 6.606 1.00 0.00 O -ATOM 1404 CB SER A 84 -1.459 -13.333 9.501 1.00 0.00 C -ATOM 1405 OG SER A 84 -1.267 -13.253 10.921 1.00 0.00 O -ATOM 1406 H SER A 84 -3.394 -11.489 9.683 1.00 0.00 H -ATOM 1407 HA SER A 84 -0.533 -11.477 9.034 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -2.396 -13.832 9.305 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -0.653 -13.908 9.071 1.00 0.00 H -ATOM 1410 HG SER A 84 -2.116 -13.513 11.303 1.00 0.00 H -ATOM 1411 N GLU A 85 -2.931 -11.681 6.888 1.00 0.00 N -ATOM 1412 CA GLU A 85 -3.315 -11.856 5.475 1.00 0.00 C -ATOM 1413 C GLU A 85 -2.347 -11.127 4.526 1.00 0.00 C -ATOM 1414 O GLU A 85 -1.751 -11.736 3.637 1.00 0.00 O -ATOM 1415 CB GLU A 85 -4.727 -11.298 5.259 1.00 0.00 C -ATOM 1416 CG GLU A 85 -5.349 -11.651 3.921 1.00 0.00 C -ATOM 1417 CD GLU A 85 -5.790 -13.093 3.850 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -4.944 -14.004 3.791 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -7.009 -13.348 3.858 1.00 0.00 O -ATOM 1420 H GLU A 85 -3.612 -11.325 7.508 1.00 0.00 H -ATOM 1421 HA GLU A 85 -3.324 -12.911 5.247 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -5.369 -11.678 6.039 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -4.683 -10.221 5.340 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -6.209 -11.021 3.757 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -4.620 -11.476 3.145 1.00 0.00 H -ATOM 1426 N VAL A 86 -2.129 -9.851 4.780 1.00 0.00 N -ATOM 1427 CA VAL A 86 -1.286 -9.041 3.903 1.00 0.00 C -ATOM 1428 C VAL A 86 0.189 -9.332 4.088 1.00 0.00 C -ATOM 1429 O VAL A 86 0.967 -9.228 3.145 1.00 0.00 O -ATOM 1430 CB VAL A 86 -1.562 -7.534 4.043 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -2.940 -7.198 3.500 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -1.421 -7.093 5.499 1.00 0.00 C -ATOM 1433 H VAL A 86 -2.557 -9.458 5.567 1.00 0.00 H -ATOM 1434 HA VAL A 86 -1.541 -9.335 2.895 1.00 0.00 H -ATOM 1435 HB VAL A 86 -0.840 -6.993 3.449 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -3.683 -7.780 4.025 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -2.983 -7.429 2.447 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -3.137 -6.147 3.646 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -1.678 -6.049 5.592 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -0.399 -7.240 5.819 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -2.078 -7.684 6.118 1.00 0.00 H -ATOM 1442 N TYR A 87 0.566 -9.716 5.298 1.00 0.00 N -ATOM 1443 CA TYR A 87 1.943 -10.079 5.575 1.00 0.00 C -ATOM 1444 C TYR A 87 2.331 -11.297 4.775 1.00 0.00 C -ATOM 1445 O TYR A 87 3.397 -11.335 4.183 1.00 0.00 O -ATOM 1446 CB TYR A 87 2.179 -10.323 7.070 1.00 0.00 C -ATOM 1447 CG TYR A 87 2.455 -9.076 7.890 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 1.455 -8.162 8.195 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 3.733 -8.826 8.369 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 1.729 -7.035 8.955 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 4.015 -7.711 9.130 1.00 0.00 C -ATOM 1452 CZ TYR A 87 3.014 -6.819 9.421 1.00 0.00 C -ATOM 1453 OH TYR A 87 3.294 -5.707 10.195 1.00 0.00 O -ATOM 1454 H TYR A 87 -0.101 -9.767 6.012 1.00 0.00 H -ATOM 1455 HA TYR A 87 2.562 -9.255 5.253 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 1.304 -10.797 7.488 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 3.022 -10.988 7.182 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 0.454 -8.337 7.830 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 4.523 -9.527 8.141 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 0.942 -6.332 9.183 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 5.019 -7.542 9.489 1.00 0.00 H -ATOM 1462 HH TYR A 87 2.570 -5.660 10.835 1.00 0.00 H -ATOM 1463 N SER A 88 1.432 -12.252 4.708 1.00 0.00 N -ATOM 1464 CA SER A 88 1.670 -13.476 3.985 1.00 0.00 C -ATOM 1465 C SER A 88 1.758 -13.230 2.482 1.00 0.00 C -ATOM 1466 O SER A 88 2.671 -13.742 1.820 1.00 0.00 O -ATOM 1467 CB SER A 88 0.596 -14.479 4.335 1.00 0.00 C -ATOM 1468 OG SER A 88 0.569 -14.671 5.750 1.00 0.00 O -ATOM 1469 H SER A 88 0.571 -12.138 5.166 1.00 0.00 H -ATOM 1470 HA SER A 88 2.623 -13.864 4.308 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -0.361 -14.099 4.008 1.00 0.00 H -ATOM 1472 HB3 SER A 88 0.806 -15.423 3.855 1.00 0.00 H -ATOM 1473 HG SER A 88 0.010 -13.978 6.135 1.00 0.00 H -ATOM 1474 N GLU A 89 0.853 -12.401 1.965 1.00 0.00 N -ATOM 1475 CA GLU A 89 0.858 -12.044 0.546 1.00 0.00 C -ATOM 1476 C GLU A 89 2.152 -11.349 0.171 1.00 0.00 C -ATOM 1477 O GLU A 89 2.693 -11.563 -0.903 1.00 0.00 O -ATOM 1478 CB GLU A 89 -0.318 -11.125 0.205 1.00 0.00 C -ATOM 1479 CG GLU A 89 -1.677 -11.789 0.245 1.00 0.00 C -ATOM 1480 CD GLU A 89 -1.830 -12.857 -0.807 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -2.021 -12.524 -2.002 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -1.824 -14.047 -0.471 1.00 0.00 O -ATOM 1483 H GLU A 89 0.151 -12.032 2.544 1.00 0.00 H -ATOM 1484 HA GLU A 89 0.772 -12.952 -0.030 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -0.327 -10.303 0.905 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -0.165 -10.728 -0.788 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -1.814 -12.243 1.217 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -2.438 -11.038 0.089 1.00 0.00 H -ATOM 1489 N ALA A 90 2.650 -10.541 1.063 1.00 0.00 N -ATOM 1490 CA ALA A 90 3.848 -9.802 0.806 1.00 0.00 C -ATOM 1491 C ALA A 90 5.112 -10.649 0.998 1.00 0.00 C -ATOM 1492 O ALA A 90 5.890 -10.816 0.067 1.00 0.00 O -ATOM 1493 CB ALA A 90 3.888 -8.549 1.658 1.00 0.00 C -ATOM 1494 H ALA A 90 2.184 -10.429 1.921 1.00 0.00 H -ATOM 1495 HA ALA A 90 3.812 -9.495 -0.228 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 2.990 -7.972 1.492 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 4.752 -7.957 1.393 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 3.946 -8.827 2.699 1.00 0.00 H -ATOM 1499 N VAL A 91 5.277 -11.242 2.170 1.00 0.00 N -ATOM 1500 CA VAL A 91 6.536 -11.921 2.511 1.00 0.00 C -ATOM 1501 C VAL A 91 6.809 -13.148 1.630 1.00 0.00 C -ATOM 1502 O VAL A 91 7.954 -13.443 1.315 1.00 0.00 O -ATOM 1503 CB VAL A 91 6.643 -12.290 4.032 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 5.724 -13.438 4.426 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 8.088 -12.570 4.441 1.00 0.00 C -ATOM 1506 H VAL A 91 4.538 -11.234 2.821 1.00 0.00 H -ATOM 1507 HA VAL A 91 7.318 -11.210 2.284 1.00 0.00 H -ATOM 1508 HB VAL A 91 6.306 -11.425 4.584 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 5.970 -14.313 3.842 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 4.698 -13.157 4.238 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 5.855 -13.658 5.475 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 8.684 -11.684 4.278 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 8.479 -13.377 3.841 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 8.124 -12.844 5.485 1.00 0.00 H -ATOM 1515 N LYS A 92 5.766 -13.843 1.210 1.00 0.00 N -ATOM 1516 CA LYS A 92 5.963 -15.021 0.382 1.00 0.00 C -ATOM 1517 C LYS A 92 6.284 -14.624 -1.051 1.00 0.00 C -ATOM 1518 O LYS A 92 7.020 -15.321 -1.766 1.00 0.00 O -ATOM 1519 CB LYS A 92 4.745 -15.943 0.424 1.00 0.00 C -ATOM 1520 CG LYS A 92 4.413 -16.508 1.809 1.00 0.00 C -ATOM 1521 CD LYS A 92 5.570 -17.318 2.379 1.00 0.00 C -ATOM 1522 CE LYS A 92 5.209 -17.969 3.707 1.00 0.00 C -ATOM 1523 NZ LYS A 92 4.865 -16.985 4.756 1.00 0.00 N -ATOM 1524 H LYS A 92 4.859 -13.560 1.457 1.00 0.00 H -ATOM 1525 HA LYS A 92 6.818 -15.553 0.771 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 3.885 -15.390 0.074 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 4.922 -16.771 -0.244 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 4.201 -15.689 2.480 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 3.543 -17.142 1.731 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 5.848 -18.087 1.674 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 6.407 -16.655 2.533 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 4.354 -18.607 3.550 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 6.046 -18.566 4.039 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 5.650 -16.342 4.972 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 4.623 -17.489 5.632 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 4.012 -16.433 4.534 1.00 0.00 H -ATOM 1537 N ARG A 93 5.781 -13.486 -1.456 1.00 0.00 N -ATOM 1538 CA ARG A 93 5.963 -13.029 -2.808 1.00 0.00 C -ATOM 1539 C ARG A 93 7.240 -12.245 -2.994 1.00 0.00 C -ATOM 1540 O ARG A 93 7.850 -12.311 -4.062 1.00 0.00 O -ATOM 1541 CB ARG A 93 4.770 -12.247 -3.292 1.00 0.00 C -ATOM 1542 CG ARG A 93 3.525 -13.089 -3.475 1.00 0.00 C -ATOM 1543 CD ARG A 93 2.429 -12.257 -4.081 1.00 0.00 C -ATOM 1544 NE ARG A 93 2.855 -11.691 -5.362 1.00 0.00 N -ATOM 1545 CZ ARG A 93 2.350 -10.600 -5.921 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 1.375 -9.932 -5.322 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 2.841 -10.161 -7.058 1.00 0.00 N -ATOM 1548 H ARG A 93 5.285 -12.927 -0.819 1.00 0.00 H -ATOM 1549 HA ARG A 93 6.043 -13.917 -3.417 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 4.550 -11.472 -2.571 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 5.006 -11.781 -4.237 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 3.750 -13.921 -4.125 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 3.201 -13.454 -2.511 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 1.563 -12.883 -4.240 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 2.180 -11.451 -3.407 1.00 0.00 H -ATOM 1556 HE ARG A 93 3.583 -12.177 -5.811 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 0.988 -10.193 -4.439 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 0.954 -9.136 -5.794 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 3.592 -10.609 -7.549 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 2.478 -9.317 -7.489 1.00 0.00 H -ATOM 1561 N ILE A 94 7.635 -11.489 -1.993 1.00 0.00 N -ATOM 1562 CA ILE A 94 8.886 -10.761 -2.058 1.00 0.00 C -ATOM 1563 C ILE A 94 10.037 -11.722 -1.832 1.00 0.00 C -ATOM 1564 O ILE A 94 10.174 -12.336 -0.762 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.952 -9.503 -1.095 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 8.188 -8.289 -1.684 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 10.395 -9.095 -0.784 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 6.704 -8.481 -1.896 1.00 0.00 C -ATOM 1569 H ILE A 94 7.081 -11.416 -1.183 1.00 0.00 H -ATOM 1570 HA ILE A 94 8.966 -10.425 -3.082 1.00 0.00 H -ATOM 1571 HB ILE A 94 8.483 -9.783 -0.163 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 8.307 -7.447 -1.018 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 8.634 -8.034 -2.636 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 10.905 -8.852 -1.705 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 10.903 -9.916 -0.301 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 10.392 -8.234 -0.131 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 6.235 -8.686 -0.944 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 6.542 -9.309 -2.568 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 6.283 -7.581 -2.319 1.00 0.00 H -ATOM 1580 N LEU A 95 10.811 -11.892 -2.853 1.00 0.00 N -ATOM 1581 CA LEU A 95 11.900 -12.794 -2.839 1.00 0.00 C -ATOM 1582 C LEU A 95 13.128 -12.012 -3.228 1.00 0.00 C -ATOM 1583 O LEU A 95 13.900 -11.625 -2.348 1.00 0.00 O -ATOM 1584 CB LEU A 95 11.633 -13.929 -3.835 1.00 0.00 C -ATOM 1585 CG LEU A 95 12.598 -15.104 -3.798 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 12.508 -15.811 -2.456 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 12.297 -16.070 -4.933 1.00 0.00 C -ATOM 1588 OXT LEU A 95 13.260 -11.671 -4.415 1.00 0.00 O -ATOM 1589 H LEU A 95 10.672 -11.372 -3.672 1.00 0.00 H -ATOM 1590 HA LEU A 95 12.012 -13.199 -1.844 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 10.639 -14.309 -3.649 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 11.653 -13.508 -4.829 1.00 0.00 H -ATOM 1593 HG LEU A 95 13.608 -14.741 -3.917 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 12.791 -15.131 -1.666 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 13.166 -16.665 -2.449 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 11.494 -16.144 -2.296 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 12.391 -15.559 -5.879 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 11.291 -16.447 -4.829 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 12.993 -16.895 -4.899 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 15 -ATOM 1 N MET A 1 11.630 14.458 -1.201 1.00 0.00 N -ATOM 2 CA MET A 1 11.381 14.016 -2.579 1.00 0.00 C -ATOM 3 C MET A 1 10.097 13.229 -2.618 1.00 0.00 C -ATOM 4 O MET A 1 9.775 12.536 -1.658 1.00 0.00 O -ATOM 5 CB MET A 1 12.540 13.136 -3.084 1.00 0.00 C -ATOM 6 CG MET A 1 12.388 12.636 -4.522 1.00 0.00 C -ATOM 7 SD MET A 1 13.757 11.584 -5.065 1.00 0.00 S -ATOM 8 CE MET A 1 13.628 10.223 -3.907 1.00 0.00 C -ATOM 9 H MET A 1 11.691 13.640 -0.565 1.00 0.00 H -ATOM 10 HA MET A 1 11.288 14.890 -3.207 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.455 13.704 -3.028 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.613 12.277 -2.434 1.00 0.00 H -ATOM 13 HG2 MET A 1 11.472 12.069 -4.596 1.00 0.00 H -ATOM 14 HG3 MET A 1 12.332 13.491 -5.179 1.00 0.00 H -ATOM 15 HE1 MET A 1 13.805 10.577 -2.903 1.00 0.00 H -ATOM 16 HE2 MET A 1 14.353 9.463 -4.158 1.00 0.00 H -ATOM 17 HE3 MET A 1 12.635 9.803 -3.966 1.00 0.00 H -ATOM 18 N ALA A 2 9.368 13.343 -3.705 1.00 0.00 N -ATOM 19 CA ALA A 2 8.139 12.611 -3.882 1.00 0.00 C -ATOM 20 C ALA A 2 8.409 11.385 -4.724 1.00 0.00 C -ATOM 21 O ALA A 2 9.031 11.471 -5.785 1.00 0.00 O -ATOM 22 CB ALA A 2 7.068 13.480 -4.529 1.00 0.00 C -ATOM 23 H ALA A 2 9.682 13.920 -4.435 1.00 0.00 H -ATOM 24 HA ALA A 2 7.794 12.293 -2.909 1.00 0.00 H -ATOM 25 HB1 ALA A 2 6.884 14.350 -3.914 1.00 0.00 H -ATOM 26 HB2 ALA A 2 6.157 12.906 -4.625 1.00 0.00 H -ATOM 27 HB3 ALA A 2 7.400 13.791 -5.508 1.00 0.00 H -ATOM 28 N TYR A 3 7.977 10.266 -4.245 1.00 0.00 N -ATOM 29 CA TYR A 3 8.186 9.000 -4.912 1.00 0.00 C -ATOM 30 C TYR A 3 7.011 8.699 -5.845 1.00 0.00 C -ATOM 31 O TYR A 3 6.023 9.443 -5.875 1.00 0.00 O -ATOM 32 CB TYR A 3 8.365 7.874 -3.867 1.00 0.00 C -ATOM 33 CG TYR A 3 9.607 8.010 -2.971 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.771 9.104 -2.126 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.596 7.031 -2.958 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.867 9.224 -1.303 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.706 7.148 -2.131 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.832 8.251 -1.307 1.00 0.00 C -ATOM 39 OH TYR A 3 12.925 8.376 -0.473 1.00 0.00 O -ATOM 40 H TYR A 3 7.485 10.290 -3.394 1.00 0.00 H -ATOM 41 HA TYR A 3 9.089 9.078 -5.500 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.500 7.855 -3.220 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.431 6.929 -4.386 1.00 0.00 H -ATOM 44 HD1 TYR A 3 9.015 9.875 -2.120 1.00 0.00 H -ATOM 45 HD2 TYR A 3 10.491 6.172 -3.604 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.966 10.084 -0.659 1.00 0.00 H -ATOM 47 HE2 TYR A 3 12.466 6.381 -2.135 1.00 0.00 H -ATOM 48 HH TYR A 3 13.714 8.093 -0.944 1.00 0.00 H -ATOM 49 N PHE A 4 7.130 7.648 -6.613 1.00 0.00 N -ATOM 50 CA PHE A 4 6.079 7.221 -7.526 1.00 0.00 C -ATOM 51 C PHE A 4 5.244 6.137 -6.872 1.00 0.00 C -ATOM 52 O PHE A 4 5.667 5.563 -5.896 1.00 0.00 O -ATOM 53 CB PHE A 4 6.693 6.730 -8.842 1.00 0.00 C -ATOM 54 CG PHE A 4 7.380 7.826 -9.604 1.00 0.00 C -ATOM 55 CD1 PHE A 4 6.651 8.676 -10.419 1.00 0.00 C -ATOM 56 CD2 PHE A 4 8.748 8.020 -9.493 1.00 0.00 C -ATOM 57 CE1 PHE A 4 7.271 9.697 -11.108 1.00 0.00 C -ATOM 58 CE2 PHE A 4 9.374 9.037 -10.180 1.00 0.00 C -ATOM 59 CZ PHE A 4 8.633 9.879 -10.987 1.00 0.00 C -ATOM 60 H PHE A 4 7.961 7.122 -6.571 1.00 0.00 H -ATOM 61 HA PHE A 4 5.449 8.076 -7.724 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.439 5.985 -8.603 1.00 0.00 H -ATOM 63 HB3 PHE A 4 5.942 6.280 -9.473 1.00 0.00 H -ATOM 64 HD1 PHE A 4 5.585 8.535 -10.514 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.326 7.362 -8.861 1.00 0.00 H -ATOM 66 HE1 PHE A 4 6.692 10.353 -11.741 1.00 0.00 H -ATOM 67 HE2 PHE A 4 10.440 9.179 -10.085 1.00 0.00 H -ATOM 68 HZ PHE A 4 9.117 10.681 -11.525 1.00 0.00 H -ATOM 69 N LEU A 5 4.065 5.877 -7.381 1.00 0.00 N -ATOM 70 CA LEU A 5 3.190 4.876 -6.787 1.00 0.00 C -ATOM 71 C LEU A 5 2.769 3.881 -7.874 1.00 0.00 C -ATOM 72 O LEU A 5 2.471 4.293 -9.000 1.00 0.00 O -ATOM 73 CB LEU A 5 1.948 5.597 -6.172 1.00 0.00 C -ATOM 74 CG LEU A 5 1.073 4.843 -5.123 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.372 3.629 -5.687 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.888 4.459 -3.908 1.00 0.00 C -ATOM 77 H LEU A 5 3.754 6.333 -8.191 1.00 0.00 H -ATOM 78 HA LEU A 5 3.730 4.361 -6.008 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.299 6.504 -5.707 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.309 5.882 -6.995 1.00 0.00 H -ATOM 81 HG LEU A 5 0.299 5.520 -4.794 1.00 0.00 H -ATOM 82 HD11 LEU A 5 1.108 2.967 -6.119 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.347 3.927 -6.435 1.00 0.00 H -ATOM 84 HD13 LEU A 5 -0.125 3.114 -4.878 1.00 0.00 H -ATOM 85 HD21 LEU A 5 1.259 3.918 -3.217 1.00 0.00 H -ATOM 86 HD22 LEU A 5 2.268 5.346 -3.424 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.709 3.826 -4.210 1.00 0.00 H -ATOM 88 N ASP A 6 2.782 2.596 -7.559 1.00 0.00 N -ATOM 89 CA ASP A 6 2.278 1.567 -8.471 1.00 0.00 C -ATOM 90 C ASP A 6 1.540 0.501 -7.679 1.00 0.00 C -ATOM 91 O ASP A 6 1.813 0.300 -6.487 1.00 0.00 O -ATOM 92 CB ASP A 6 3.396 0.930 -9.306 1.00 0.00 C -ATOM 93 CG ASP A 6 2.881 -0.095 -10.316 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.146 0.285 -11.270 1.00 0.00 O -ATOM 95 OD2 ASP A 6 3.207 -1.278 -10.190 1.00 0.00 O -ATOM 96 H ASP A 6 3.136 2.310 -6.685 1.00 0.00 H -ATOM 97 HA ASP A 6 1.572 2.056 -9.124 1.00 0.00 H -ATOM 98 HB2 ASP A 6 3.969 1.684 -9.824 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.024 0.403 -8.608 1.00 0.00 H -ATOM 100 N PHE A 7 0.622 -0.166 -8.320 1.00 0.00 N -ATOM 101 CA PHE A 7 -0.194 -1.175 -7.676 1.00 0.00 C -ATOM 102 C PHE A 7 0.110 -2.544 -8.245 1.00 0.00 C -ATOM 103 O PHE A 7 0.091 -2.737 -9.476 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.685 -0.894 -7.877 1.00 0.00 C -ATOM 105 CG PHE A 7 -2.177 0.416 -7.344 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -2.571 0.540 -6.029 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.266 1.520 -8.174 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -3.041 1.741 -5.546 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.733 2.726 -7.698 1.00 0.00 C -ATOM 110 CZ PHE A 7 -3.123 2.837 -6.383 1.00 0.00 C -ATOM 111 H PHE A 7 0.527 0.009 -9.278 1.00 0.00 H -ATOM 112 HA PHE A 7 0.020 -1.166 -6.618 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.898 -0.910 -8.935 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -2.252 -1.683 -7.403 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -2.505 -0.317 -5.374 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -1.957 1.426 -9.203 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -3.347 1.828 -4.514 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -2.795 3.582 -8.356 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.492 3.780 -6.004 1.00 0.00 H -ATOM 120 N ASP A 8 0.379 -3.471 -7.365 1.00 0.00 N -ATOM 121 CA ASP A 8 0.623 -4.863 -7.714 1.00 0.00 C -ATOM 122 C ASP A 8 -0.637 -5.527 -8.243 1.00 0.00 C -ATOM 123 O ASP A 8 -1.741 -5.079 -7.952 1.00 0.00 O -ATOM 124 CB ASP A 8 1.139 -5.654 -6.514 1.00 0.00 C -ATOM 125 CG ASP A 8 1.331 -7.100 -6.855 1.00 0.00 C -ATOM 126 OD1 ASP A 8 2.133 -7.397 -7.751 1.00 0.00 O -ATOM 127 OD2 ASP A 8 0.648 -7.964 -6.284 1.00 0.00 O -ATOM 128 H ASP A 8 0.431 -3.235 -6.412 1.00 0.00 H -ATOM 129 HA ASP A 8 1.377 -4.882 -8.488 1.00 0.00 H -ATOM 130 HB2 ASP A 8 2.086 -5.245 -6.194 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.427 -5.581 -5.705 1.00 0.00 H -ATOM 132 N GLU A 9 -0.458 -6.583 -9.015 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.534 -7.372 -9.574 1.00 0.00 C -ATOM 134 C GLU A 9 -2.522 -7.838 -8.475 1.00 0.00 C -ATOM 135 O GLU A 9 -3.735 -7.805 -8.685 1.00 0.00 O -ATOM 136 CB GLU A 9 -0.939 -8.588 -10.302 1.00 0.00 C -ATOM 137 CG GLU A 9 0.032 -9.394 -9.444 1.00 0.00 C -ATOM 138 CD GLU A 9 0.545 -10.632 -10.110 1.00 0.00 C -ATOM 139 OE1 GLU A 9 1.544 -10.560 -10.869 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -0.007 -11.711 -9.855 1.00 0.00 O -ATOM 141 H GLU A 9 0.471 -6.860 -9.180 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.064 -6.767 -10.293 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -1.745 -9.241 -10.602 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.411 -8.248 -11.181 1.00 0.00 H -ATOM 145 HG2 GLU A 9 0.879 -8.771 -9.200 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -0.476 -9.673 -8.532 1.00 0.00 H -ATOM 147 N ARG A 10 -2.010 -8.215 -7.286 1.00 0.00 N -ATOM 148 CA ARG A 10 -2.885 -8.642 -6.200 1.00 0.00 C -ATOM 149 C ARG A 10 -3.617 -7.456 -5.628 1.00 0.00 C -ATOM 150 O ARG A 10 -4.825 -7.511 -5.371 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.130 -9.366 -5.086 1.00 0.00 C -ATOM 152 CG ARG A 10 -1.455 -10.648 -5.520 1.00 0.00 C -ATOM 153 CD ARG A 10 -0.846 -11.366 -4.333 1.00 0.00 C -ATOM 154 NE ARG A 10 -0.145 -12.584 -4.741 1.00 0.00 N -ATOM 155 CZ ARG A 10 -0.022 -13.687 -4.001 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -0.725 -13.834 -2.883 1.00 0.00 N -ATOM 157 NH2 ARG A 10 0.734 -14.682 -4.432 1.00 0.00 N -ATOM 158 H ARG A 10 -1.034 -8.193 -7.132 1.00 0.00 H -ATOM 159 HA ARG A 10 -3.606 -9.316 -6.634 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.369 -8.704 -4.701 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -2.826 -9.599 -4.293 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -2.187 -11.295 -5.981 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -0.677 -10.416 -6.232 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -0.144 -10.705 -3.847 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -1.634 -11.630 -3.641 1.00 0.00 H -ATOM 166 HE ARG A 10 0.277 -12.526 -5.628 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -1.385 -13.141 -2.552 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -0.654 -14.642 -2.292 1.00 0.00 H -ATOM 169 HH21 ARG A 10 1.224 -14.649 -5.309 1.00 0.00 H -ATOM 170 HH22 ARG A 10 0.850 -15.527 -3.903 1.00 0.00 H -ATOM 171 N ALA A 11 -2.887 -6.371 -5.472 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.433 -5.138 -4.950 1.00 0.00 C -ATOM 173 C ALA A 11 -4.514 -4.604 -5.870 1.00 0.00 C -ATOM 174 O ALA A 11 -5.501 -4.075 -5.414 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.339 -4.102 -4.766 1.00 0.00 C -ATOM 176 H ALA A 11 -1.938 -6.414 -5.719 1.00 0.00 H -ATOM 177 HA ALA A 11 -3.869 -5.351 -3.985 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.579 -4.492 -4.104 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -2.761 -3.203 -4.342 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -1.896 -3.874 -5.723 1.00 0.00 H -ATOM 181 N LEU A 12 -4.335 -4.795 -7.165 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.282 -4.331 -8.155 1.00 0.00 C -ATOM 183 C LEU A 12 -6.586 -5.061 -8.062 1.00 0.00 C -ATOM 184 O LEU A 12 -7.645 -4.456 -8.225 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.718 -4.447 -9.561 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.690 -3.396 -9.969 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.125 -3.730 -11.325 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.335 -2.016 -10.007 1.00 0.00 C -ATOM 189 H LEU A 12 -3.530 -5.270 -7.473 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.470 -3.289 -7.950 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.254 -5.419 -9.646 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.544 -4.411 -10.253 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.883 -3.374 -9.251 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -2.405 -2.978 -11.612 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -3.926 -3.759 -12.050 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -2.642 -4.694 -11.284 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -5.166 -2.033 -10.699 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -3.608 -1.293 -10.345 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.686 -1.738 -9.025 1.00 0.00 H -ATOM 200 N LYS A 13 -6.522 -6.348 -7.781 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.725 -7.145 -7.665 1.00 0.00 C -ATOM 202 C LYS A 13 -8.566 -6.613 -6.520 1.00 0.00 C -ATOM 203 O LYS A 13 -9.756 -6.333 -6.688 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.351 -8.582 -7.334 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.493 -9.284 -8.355 1.00 0.00 C -ATOM 206 CD LYS A 13 -5.882 -10.525 -7.738 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.031 -11.306 -8.726 1.00 0.00 C -ATOM 208 NZ LYS A 13 -5.836 -11.968 -9.771 1.00 0.00 N -ATOM 209 H LYS A 13 -5.641 -6.760 -7.649 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.271 -7.123 -8.597 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -6.821 -8.594 -6.394 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.264 -9.146 -7.218 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.102 -9.562 -9.201 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -5.702 -8.622 -8.671 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.264 -10.201 -6.915 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -6.674 -11.156 -7.360 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -4.344 -10.622 -9.201 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -4.470 -12.053 -8.183 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -6.453 -11.308 -10.286 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -6.432 -12.711 -9.352 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -5.212 -12.435 -10.460 1.00 0.00 H -ATOM 222 N GLU A 14 -7.909 -6.375 -5.398 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.563 -5.877 -4.218 1.00 0.00 C -ATOM 224 C GLU A 14 -9.003 -4.419 -4.379 1.00 0.00 C -ATOM 225 O GLU A 14 -10.065 -4.043 -3.945 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.672 -6.060 -3.012 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.205 -7.498 -2.818 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.342 -8.501 -2.710 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -8.986 -8.607 -1.637 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -8.595 -9.230 -3.681 1.00 0.00 O -ATOM 231 H GLU A 14 -6.948 -6.577 -5.341 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.445 -6.484 -4.082 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.800 -5.435 -3.128 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.210 -5.757 -2.126 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -6.600 -7.766 -3.672 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.595 -7.545 -1.931 1.00 0.00 H -ATOM 237 N TRP A 15 -8.178 -3.626 -5.027 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.448 -2.204 -5.278 1.00 0.00 C -ATOM 239 C TRP A 15 -9.725 -2.044 -6.117 1.00 0.00 C -ATOM 240 O TRP A 15 -10.572 -1.187 -5.845 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.236 -1.600 -6.012 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.294 -0.132 -6.283 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.720 0.477 -7.427 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.877 0.911 -5.403 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.604 1.834 -7.304 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.085 2.130 -6.073 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.350 0.934 -4.110 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.783 3.358 -5.494 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.051 2.151 -3.537 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.267 3.346 -4.228 1.00 0.00 C -ATOM 251 H TRP A 15 -7.318 -3.998 -5.330 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.576 -1.703 -4.330 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.352 -1.773 -5.417 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.120 -2.113 -6.955 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -8.096 -0.049 -8.292 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.852 2.486 -7.997 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.178 0.019 -3.562 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.944 4.290 -6.015 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.640 2.187 -2.539 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.014 4.274 -3.737 1.00 0.00 H -ATOM 261 N ARG A 16 -9.854 -2.876 -7.126 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.026 -2.875 -8.000 1.00 0.00 C -ATOM 263 C ARG A 16 -12.236 -3.516 -7.305 1.00 0.00 C -ATOM 264 O ARG A 16 -13.373 -3.310 -7.693 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.690 -3.559 -9.316 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.576 -2.851 -10.072 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.132 -3.634 -11.280 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.025 -2.975 -11.984 1.00 0.00 N -ATOM 269 CZ ARG A 16 -7.310 -3.520 -12.972 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -7.541 -4.767 -13.350 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -6.360 -2.814 -13.565 1.00 0.00 N -ATOM 272 H ARG A 16 -9.125 -3.517 -7.292 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.269 -1.839 -8.194 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.379 -4.573 -9.111 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.572 -3.575 -9.941 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -9.933 -1.886 -10.398 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.735 -2.719 -9.407 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -8.816 -4.617 -10.964 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -9.972 -3.722 -11.950 1.00 0.00 H -ATOM 280 HE ARG A 16 -7.825 -2.055 -11.693 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.249 -5.335 -12.925 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -7.013 -5.208 -14.083 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -6.154 -1.869 -13.295 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -5.799 -3.177 -14.316 1.00 0.00 H -ATOM 285 N LYS A 17 -11.953 -4.303 -6.302 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.948 -4.975 -5.464 1.00 0.00 C -ATOM 287 C LYS A 17 -13.474 -3.998 -4.391 1.00 0.00 C -ATOM 288 O LYS A 17 -14.585 -4.150 -3.853 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.225 -6.162 -4.840 1.00 0.00 C -ATOM 290 CG LYS A 17 -12.923 -6.979 -3.788 1.00 0.00 C -ATOM 291 CD LYS A 17 -11.955 -8.061 -3.354 1.00 0.00 C -ATOM 292 CE LYS A 17 -12.435 -8.870 -2.187 1.00 0.00 C -ATOM 293 NZ LYS A 17 -11.421 -9.870 -1.814 1.00 0.00 N -ATOM 294 H LYS A 17 -11.008 -4.469 -6.094 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.759 -5.331 -6.081 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -11.948 -6.843 -5.630 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.314 -5.772 -4.412 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -13.179 -6.347 -2.950 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -13.809 -7.440 -4.198 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -11.789 -8.734 -4.181 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -11.018 -7.591 -3.091 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -12.605 -8.208 -1.350 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -13.353 -9.375 -2.450 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -11.692 -10.376 -0.949 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -10.492 -9.412 -1.676 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -11.296 -10.570 -2.575 1.00 0.00 H -ATOM 307 N LEU A 18 -12.662 -3.013 -4.093 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.994 -1.957 -3.161 1.00 0.00 C -ATOM 309 C LEU A 18 -13.975 -0.985 -3.772 1.00 0.00 C -ATOM 310 O LEU A 18 -14.083 -0.870 -5.006 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.733 -1.186 -2.752 1.00 0.00 C -ATOM 312 CG LEU A 18 -11.189 -1.413 -1.344 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.880 -2.877 -1.086 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.957 -0.568 -1.140 1.00 0.00 C -ATOM 315 H LEU A 18 -11.776 -3.010 -4.513 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.422 -2.400 -2.275 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.950 -1.441 -3.451 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.945 -0.133 -2.862 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.926 -1.088 -0.626 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -11.787 -3.454 -1.197 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -10.500 -2.994 -0.082 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.144 -3.222 -1.799 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.204 -0.837 -1.866 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -9.575 -0.727 -0.143 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -10.226 0.471 -1.263 1.00 0.00 H -ATOM 326 N GLY A 19 -14.671 -0.289 -2.921 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.580 0.720 -3.348 1.00 0.00 C -ATOM 328 C GLY A 19 -14.810 1.926 -3.781 1.00 0.00 C -ATOM 329 O GLY A 19 -13.785 2.268 -3.153 1.00 0.00 O -ATOM 330 H GLY A 19 -14.543 -0.457 -1.963 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.157 0.341 -4.178 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.239 0.993 -2.537 1.00 0.00 H -ATOM 333 N SER A 20 -15.272 2.571 -4.828 1.00 0.00 N -ATOM 334 CA SER A 20 -14.592 3.700 -5.416 1.00 0.00 C -ATOM 335 C SER A 20 -14.261 4.821 -4.409 1.00 0.00 C -ATOM 336 O SER A 20 -13.142 5.308 -4.381 1.00 0.00 O -ATOM 337 CB SER A 20 -15.374 4.182 -6.635 1.00 0.00 C -ATOM 338 OG SER A 20 -16.781 4.037 -6.429 1.00 0.00 O -ATOM 339 H SER A 20 -16.122 2.296 -5.237 1.00 0.00 H -ATOM 340 HA SER A 20 -13.645 3.318 -5.768 1.00 0.00 H -ATOM 341 HB2 SER A 20 -15.150 5.222 -6.817 1.00 0.00 H -ATOM 342 HB3 SER A 20 -15.089 3.600 -7.498 1.00 0.00 H -ATOM 343 HG SER A 20 -17.061 4.662 -5.744 1.00 0.00 H -ATOM 344 N THR A 21 -15.185 5.128 -3.532 1.00 0.00 N -ATOM 345 CA THR A 21 -14.983 6.169 -2.538 1.00 0.00 C -ATOM 346 C THR A 21 -13.900 5.749 -1.510 1.00 0.00 C -ATOM 347 O THR A 21 -13.018 6.559 -1.139 1.00 0.00 O -ATOM 348 CB THR A 21 -16.322 6.512 -1.828 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.269 6.975 -2.806 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.142 7.591 -0.771 1.00 0.00 C -ATOM 351 H THR A 21 -16.020 4.614 -3.554 1.00 0.00 H -ATOM 352 HA THR A 21 -14.633 7.046 -3.062 1.00 0.00 H -ATOM 353 HB THR A 21 -16.705 5.613 -1.366 1.00 0.00 H -ATOM 354 HG1 THR A 21 -16.964 6.678 -3.676 1.00 0.00 H -ATOM 355 HG21 THR A 21 -15.424 7.263 -0.035 1.00 0.00 H -ATOM 356 HG22 THR A 21 -17.088 7.791 -0.289 1.00 0.00 H -ATOM 357 HG23 THR A 21 -15.784 8.491 -1.248 1.00 0.00 H -ATOM 358 N VAL A 22 -13.931 4.481 -1.099 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.979 3.961 -0.125 1.00 0.00 C -ATOM 360 C VAL A 22 -11.579 3.959 -0.708 1.00 0.00 C -ATOM 361 O VAL A 22 -10.631 4.460 -0.086 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.361 2.531 0.336 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -12.297 1.950 1.255 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.696 2.556 1.047 1.00 0.00 C -ATOM 365 H VAL A 22 -14.599 3.866 -1.471 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.990 4.618 0.732 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.454 1.902 -0.537 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -11.352 1.910 0.735 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -12.584 0.953 1.557 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -12.201 2.574 2.130 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.963 1.554 1.344 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -15.445 2.955 0.382 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.622 3.183 1.923 1.00 0.00 H -ATOM 374 N ARG A 23 -11.456 3.461 -1.918 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.172 3.430 -2.566 1.00 0.00 C -ATOM 376 C ARG A 23 -9.650 4.827 -2.850 1.00 0.00 C -ATOM 377 O ARG A 23 -8.468 5.043 -2.792 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.124 2.548 -3.800 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.139 2.870 -4.856 1.00 0.00 C -ATOM 380 CD ARG A 23 -10.806 2.149 -6.123 1.00 0.00 C -ATOM 381 NE ARG A 23 -11.775 2.420 -7.178 1.00 0.00 N -ATOM 382 CZ ARG A 23 -12.516 1.492 -7.801 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.411 0.199 -7.474 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.363 1.860 -8.751 1.00 0.00 N -ATOM 385 H ARG A 23 -12.254 3.103 -2.370 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.502 3.017 -1.825 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.145 2.645 -4.246 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.261 1.521 -3.496 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.091 2.507 -4.497 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.219 3.934 -5.025 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -9.832 2.514 -6.417 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -10.753 1.089 -5.927 1.00 0.00 H -ATOM 393 HE ARG A 23 -11.850 3.374 -7.418 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -11.784 -0.137 -6.761 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -12.972 -0.502 -7.923 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -13.464 2.821 -9.022 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -13.956 1.209 -9.237 1.00 0.00 H -ATOM 398 N GLU A 24 -10.536 5.771 -3.171 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.129 7.159 -3.382 1.00 0.00 C -ATOM 400 C GLU A 24 -9.448 7.749 -2.165 1.00 0.00 C -ATOM 401 O GLU A 24 -8.474 8.482 -2.292 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.285 8.048 -3.786 1.00 0.00 C -ATOM 403 CG GLU A 24 -11.726 7.873 -5.211 1.00 0.00 C -ATOM 404 CD GLU A 24 -12.655 8.954 -5.652 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -13.821 8.986 -5.209 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -12.226 9.806 -6.451 1.00 0.00 O -ATOM 407 H GLU A 24 -11.483 5.530 -3.292 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.409 7.150 -4.187 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.118 7.774 -3.154 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.046 9.080 -3.591 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -10.857 7.883 -5.852 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.231 6.923 -5.305 1.00 0.00 H -ATOM 413 N GLN A 25 -9.938 7.411 -0.994 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.360 7.910 0.235 1.00 0.00 C -ATOM 415 C GLN A 25 -7.998 7.282 0.463 1.00 0.00 C -ATOM 416 O GLN A 25 -7.060 7.954 0.895 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.306 7.657 1.383 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.575 8.459 1.272 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.670 7.926 2.135 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -12.823 8.303 3.297 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.458 7.069 1.560 1.00 0.00 N -ATOM 422 H GLN A 25 -10.697 6.789 -0.949 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.225 8.975 0.113 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.567 6.609 1.393 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.818 7.917 2.311 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.376 9.481 1.556 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -11.903 8.427 0.244 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.258 6.863 0.615 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -14.196 6.660 2.060 1.00 0.00 H -ATOM 430 N LEU A 26 -7.884 6.007 0.133 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.606 5.317 0.188 1.00 0.00 C -ATOM 432 C LEU A 26 -5.645 5.935 -0.820 1.00 0.00 C -ATOM 433 O LEU A 26 -4.484 6.173 -0.510 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.779 3.816 -0.069 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.482 3.018 1.038 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.751 1.611 0.580 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.629 2.993 2.300 1.00 0.00 C -ATOM 438 H LEU A 26 -8.690 5.520 -0.147 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.198 5.467 1.176 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.344 3.697 -0.982 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.799 3.385 -0.219 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.438 3.459 1.281 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.386 1.631 -0.294 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.247 1.068 1.371 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -6.819 1.123 0.337 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -7.133 2.419 3.064 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -6.465 3.999 2.653 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -5.677 2.533 2.081 1.00 0.00 H -ATOM 449 N LYS A 27 -6.159 6.221 -2.016 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.409 6.890 -3.069 1.00 0.00 C -ATOM 451 C LYS A 27 -4.870 8.235 -2.575 1.00 0.00 C -ATOM 452 O LYS A 27 -3.717 8.554 -2.803 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.325 7.144 -4.264 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.655 7.866 -5.422 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.672 8.460 -6.388 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.510 9.541 -5.701 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.402 10.255 -6.636 1.00 0.00 N -ATOM 458 H LYS A 27 -7.077 5.928 -2.214 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.594 6.257 -3.383 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.704 6.198 -4.623 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.153 7.742 -3.916 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.053 8.666 -5.018 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -5.022 7.169 -5.952 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -6.146 8.898 -7.225 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.327 7.676 -6.741 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -8.129 9.087 -4.941 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.832 10.246 -5.240 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -7.843 10.752 -7.357 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -8.944 10.982 -6.129 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -9.065 9.619 -7.121 1.00 0.00 H -ATOM 471 N LYS A 28 -5.714 9.001 -1.880 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.318 10.303 -1.323 1.00 0.00 C -ATOM 473 C LYS A 28 -4.164 10.139 -0.372 1.00 0.00 C -ATOM 474 O LYS A 28 -3.208 10.922 -0.395 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.478 10.977 -0.604 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.592 11.429 -1.511 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.743 11.989 -0.708 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.822 12.524 -1.613 1.00 0.00 C -ATOM 479 NZ LYS A 28 -11.011 12.946 -0.850 1.00 0.00 N -ATOM 480 H LYS A 28 -6.634 8.679 -1.757 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.001 10.928 -2.145 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.892 10.281 0.112 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.101 11.839 -0.073 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.219 12.192 -2.177 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -7.943 10.584 -2.087 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.160 11.204 -0.094 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.379 12.786 -0.079 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -9.432 13.367 -2.163 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.100 11.741 -2.302 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -11.464 12.123 -0.402 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -11.704 13.397 -1.475 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -10.762 13.626 -0.105 1.00 0.00 H -ATOM 493 N LYS A 29 -4.248 9.101 0.440 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.199 8.778 1.377 1.00 0.00 C -ATOM 495 C LYS A 29 -1.917 8.398 0.686 1.00 0.00 C -ATOM 496 O LYS A 29 -0.834 8.700 1.169 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.617 7.727 2.399 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.188 8.307 3.687 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.460 9.092 3.476 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.885 9.769 4.760 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.928 10.824 5.164 1.00 0.00 N -ATOM 502 H LYS A 29 -5.052 8.538 0.395 1.00 0.00 H -ATOM 503 HA LYS A 29 -3.018 9.703 1.898 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.362 7.087 1.952 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.748 7.135 2.646 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.404 7.500 4.371 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.445 8.955 4.126 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -5.287 9.846 2.722 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.244 8.424 3.151 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.879 10.179 4.660 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.869 8.988 5.509 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -5.287 11.398 5.954 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -4.666 11.450 4.369 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.042 10.387 5.480 1.00 0.00 H -ATOM 515 N LEU A 30 -2.039 7.751 -0.434 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.894 7.396 -1.225 1.00 0.00 C -ATOM 517 C LEU A 30 -0.266 8.650 -1.809 1.00 0.00 C -ATOM 518 O LEU A 30 0.940 8.823 -1.757 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.293 6.431 -2.332 1.00 0.00 C -ATOM 520 CG LEU A 30 -1.914 5.121 -1.864 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.315 4.270 -3.043 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -0.960 4.369 -0.951 1.00 0.00 C -ATOM 523 H LEU A 30 -2.936 7.481 -0.731 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.184 6.912 -0.575 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -1.999 6.935 -2.974 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.407 6.198 -2.906 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.811 5.343 -1.304 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -1.439 4.053 -3.634 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -3.034 4.803 -3.649 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -2.754 3.347 -2.697 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -1.401 3.422 -0.682 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -0.795 4.950 -0.055 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.020 4.203 -1.454 1.00 0.00 H -ATOM 534 N VAL A 31 -1.108 9.544 -2.313 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.656 10.795 -2.914 1.00 0.00 C -ATOM 536 C VAL A 31 0.105 11.651 -1.894 1.00 0.00 C -ATOM 537 O VAL A 31 1.198 12.155 -2.186 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.861 11.610 -3.487 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -1.417 12.951 -4.051 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -2.580 10.815 -4.558 1.00 0.00 C -ATOM 541 H VAL A 31 -2.070 9.337 -2.288 1.00 0.00 H -ATOM 542 HA VAL A 31 0.010 10.551 -3.728 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.561 11.797 -2.685 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -0.958 13.527 -3.262 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -2.278 13.478 -4.432 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -0.705 12.789 -4.847 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -2.952 9.906 -4.105 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -1.897 10.574 -5.358 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -3.410 11.388 -4.942 1.00 0.00 H -ATOM 550 N GLU A 32 -0.448 11.765 -0.693 1.00 0.00 N -ATOM 551 CA GLU A 32 0.184 12.541 0.365 1.00 0.00 C -ATOM 552 C GLU A 32 1.463 11.871 0.870 1.00 0.00 C -ATOM 553 O GLU A 32 2.496 12.524 1.036 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.788 12.829 1.527 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.364 11.601 2.181 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.281 11.901 3.336 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -1.803 12.021 4.467 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -3.506 12.033 3.142 1.00 0.00 O -ATOM 559 H GLU A 32 -1.309 11.320 -0.523 1.00 0.00 H -ATOM 560 HA GLU A 32 0.468 13.481 -0.083 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.276 13.394 2.292 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.609 13.422 1.150 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -1.913 11.083 1.411 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.550 10.976 2.522 1.00 0.00 H -ATOM 565 N VAL A 33 1.402 10.560 1.059 1.00 0.00 N -ATOM 566 CA VAL A 33 2.496 9.812 1.630 1.00 0.00 C -ATOM 567 C VAL A 33 3.735 9.848 0.745 1.00 0.00 C -ATOM 568 O VAL A 33 4.822 9.788 1.238 1.00 0.00 O -ATOM 569 CB VAL A 33 2.131 8.357 2.044 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.170 7.375 0.876 1.00 0.00 C -ATOM 571 CG2 VAL A 33 3.000 7.900 3.202 1.00 0.00 C -ATOM 572 H VAL A 33 0.583 10.074 0.811 1.00 0.00 H -ATOM 573 HA VAL A 33 2.763 10.358 2.526 1.00 0.00 H -ATOM 574 HB VAL A 33 1.108 8.382 2.394 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.509 7.726 0.098 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.850 6.397 1.207 1.00 0.00 H -ATOM 577 HG13 VAL A 33 3.177 7.315 0.490 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.784 6.871 3.445 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.802 8.523 4.062 1.00 0.00 H -ATOM 580 HG23 VAL A 33 4.033 8.001 2.915 1.00 0.00 H -ATOM 581 N LEU A 34 3.543 9.961 -0.565 1.00 0.00 N -ATOM 582 CA LEU A 34 4.645 9.956 -1.536 1.00 0.00 C -ATOM 583 C LEU A 34 5.718 11.001 -1.244 1.00 0.00 C -ATOM 584 O LEU A 34 6.869 10.812 -1.638 1.00 0.00 O -ATOM 585 CB LEU A 34 4.132 10.147 -2.966 1.00 0.00 C -ATOM 586 CG LEU A 34 3.297 9.014 -3.549 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.818 9.377 -4.938 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.096 7.723 -3.581 1.00 0.00 C -ATOM 589 H LEU A 34 2.622 10.032 -0.895 1.00 0.00 H -ATOM 590 HA LEU A 34 5.109 8.985 -1.480 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.533 11.045 -2.988 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.988 10.298 -3.608 1.00 0.00 H -ATOM 593 HG LEU A 34 2.427 8.861 -2.927 1.00 0.00 H -ATOM 594 HD11 LEU A 34 2.238 8.566 -5.351 1.00 0.00 H -ATOM 595 HD12 LEU A 34 3.672 9.582 -5.567 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.204 10.263 -4.876 1.00 0.00 H -ATOM 597 HD21 LEU A 34 3.505 6.942 -4.034 1.00 0.00 H -ATOM 598 HD22 LEU A 34 4.354 7.428 -2.575 1.00 0.00 H -ATOM 599 HD23 LEU A 34 4.997 7.871 -4.158 1.00 0.00 H -ATOM 600 N GLU A 35 5.366 12.092 -0.563 1.00 0.00 N -ATOM 601 CA GLU A 35 6.367 13.109 -0.249 1.00 0.00 C -ATOM 602 C GLU A 35 7.258 12.660 0.923 1.00 0.00 C -ATOM 603 O GLU A 35 8.384 13.131 1.081 1.00 0.00 O -ATOM 604 CB GLU A 35 5.721 14.475 0.026 1.00 0.00 C -ATOM 605 CG GLU A 35 4.813 14.513 1.236 1.00 0.00 C -ATOM 606 CD GLU A 35 4.088 15.816 1.365 1.00 0.00 C -ATOM 607 OE1 GLU A 35 3.004 15.969 0.767 1.00 0.00 O -ATOM 608 OE2 GLU A 35 4.564 16.715 2.074 1.00 0.00 O -ATOM 609 H GLU A 35 4.437 12.206 -0.258 1.00 0.00 H -ATOM 610 HA GLU A 35 7.002 13.190 -1.120 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.504 15.203 0.172 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.144 14.760 -0.842 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.082 13.722 1.152 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.408 14.358 2.124 1.00 0.00 H -ATOM 615 N SER A 36 6.770 11.723 1.709 1.00 0.00 N -ATOM 616 CA SER A 36 7.505 11.198 2.835 1.00 0.00 C -ATOM 617 C SER A 36 7.021 9.775 3.177 1.00 0.00 C -ATOM 618 O SER A 36 6.331 9.574 4.166 1.00 0.00 O -ATOM 619 CB SER A 36 7.367 12.145 4.044 1.00 0.00 C -ATOM 620 OG SER A 36 5.988 12.372 4.355 1.00 0.00 O -ATOM 621 H SER A 36 5.886 11.336 1.520 1.00 0.00 H -ATOM 622 HA SER A 36 8.545 11.138 2.555 1.00 0.00 H -ATOM 623 HB2 SER A 36 7.853 11.706 4.903 1.00 0.00 H -ATOM 624 HB3 SER A 36 7.834 13.091 3.812 1.00 0.00 H -ATOM 625 HG SER A 36 5.579 11.496 4.371 1.00 0.00 H -ATOM 626 N PRO A 37 7.305 8.773 2.318 1.00 0.00 N -ATOM 627 CA PRO A 37 6.842 7.404 2.549 1.00 0.00 C -ATOM 628 C PRO A 37 7.709 6.659 3.545 1.00 0.00 C -ATOM 629 O PRO A 37 7.353 5.602 4.020 1.00 0.00 O -ATOM 630 CB PRO A 37 6.922 6.769 1.164 1.00 0.00 C -ATOM 631 CG PRO A 37 8.045 7.481 0.498 1.00 0.00 C -ATOM 632 CD PRO A 37 8.023 8.894 1.027 1.00 0.00 C -ATOM 633 HA PRO A 37 5.824 7.379 2.905 1.00 0.00 H -ATOM 634 HB2 PRO A 37 7.120 5.712 1.262 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.991 6.921 0.638 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.981 7.003 0.748 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.898 7.480 -0.573 1.00 0.00 H -ATOM 638 HD2 PRO A 37 9.025 9.271 1.171 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.469 9.530 0.349 1.00 0.00 H -ATOM 640 N ARG A 38 8.816 7.257 3.884 1.00 0.00 N -ATOM 641 CA ARG A 38 9.789 6.676 4.793 1.00 0.00 C -ATOM 642 C ARG A 38 9.511 7.024 6.263 1.00 0.00 C -ATOM 643 O ARG A 38 10.427 7.245 7.039 1.00 0.00 O -ATOM 644 CB ARG A 38 11.229 7.053 4.342 1.00 0.00 C -ATOM 645 CG ARG A 38 11.436 8.508 3.876 1.00 0.00 C -ATOM 646 CD ARG A 38 11.282 9.536 4.985 1.00 0.00 C -ATOM 647 NE ARG A 38 11.366 10.904 4.463 1.00 0.00 N -ATOM 648 CZ ARG A 38 11.329 12.026 5.196 1.00 0.00 C -ATOM 649 NH1 ARG A 38 11.300 11.960 6.529 1.00 0.00 N -ATOM 650 NH2 ARG A 38 11.360 13.211 4.588 1.00 0.00 N -ATOM 651 H ARG A 38 8.961 8.144 3.496 1.00 0.00 H -ATOM 652 HA ARG A 38 9.682 5.605 4.702 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.899 6.879 5.170 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.512 6.395 3.532 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.433 8.600 3.474 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.725 8.727 3.093 1.00 0.00 H -ATOM 657 HD2 ARG A 38 10.325 9.398 5.465 1.00 0.00 H -ATOM 658 HD3 ARG A 38 12.072 9.386 5.704 1.00 0.00 H -ATOM 659 HE ARG A 38 11.437 10.969 3.481 1.00 0.00 H -ATOM 660 HH11 ARG A 38 11.313 11.094 7.037 1.00 0.00 H -ATOM 661 HH12 ARG A 38 11.261 12.786 7.097 1.00 0.00 H -ATOM 662 HH21 ARG A 38 11.414 13.297 3.587 1.00 0.00 H -ATOM 663 HH22 ARG A 38 11.346 14.083 5.085 1.00 0.00 H -ATOM 664 N ILE A 39 8.245 7.041 6.636 1.00 0.00 N -ATOM 665 CA ILE A 39 7.842 7.321 8.015 1.00 0.00 C -ATOM 666 C ILE A 39 7.922 6.021 8.812 1.00 0.00 C -ATOM 667 O ILE A 39 7.105 5.114 8.610 1.00 0.00 O -ATOM 668 CB ILE A 39 6.397 7.915 8.080 1.00 0.00 C -ATOM 669 CG1 ILE A 39 6.347 9.250 7.320 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.945 8.110 9.532 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.970 9.890 7.258 1.00 0.00 C -ATOM 672 H ILE A 39 7.566 6.814 5.967 1.00 0.00 H -ATOM 673 HA ILE A 39 8.545 8.027 8.428 1.00 0.00 H -ATOM 674 HB ILE A 39 5.723 7.218 7.605 1.00 0.00 H -ATOM 675 HG12 ILE A 39 7.006 9.954 7.804 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.687 9.090 6.307 1.00 0.00 H -ATOM 677 HG21 ILE A 39 5.966 7.162 10.048 1.00 0.00 H -ATOM 678 HG22 ILE A 39 4.940 8.504 9.546 1.00 0.00 H -ATOM 679 HG23 ILE A 39 6.612 8.805 10.021 1.00 0.00 H -ATOM 680 HD11 ILE A 39 5.037 10.818 6.709 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.618 10.088 8.259 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.283 9.223 6.756 1.00 0.00 H -ATOM 683 N GLU A 40 8.890 5.937 9.719 1.00 0.00 N -ATOM 684 CA GLU A 40 9.182 4.703 10.434 1.00 0.00 C -ATOM 685 C GLU A 40 8.031 4.174 11.282 1.00 0.00 C -ATOM 686 O GLU A 40 7.910 2.965 11.486 1.00 0.00 O -ATOM 687 CB GLU A 40 10.474 4.787 11.235 1.00 0.00 C -ATOM 688 CG GLU A 40 10.541 5.906 12.244 1.00 0.00 C -ATOM 689 CD GLU A 40 11.826 5.875 13.009 1.00 0.00 C -ATOM 690 OE1 GLU A 40 12.851 6.393 12.500 1.00 0.00 O -ATOM 691 OE2 GLU A 40 11.850 5.304 14.110 1.00 0.00 O -ATOM 692 H GLU A 40 9.422 6.737 9.926 1.00 0.00 H -ATOM 693 HA GLU A 40 9.348 3.993 9.642 1.00 0.00 H -ATOM 694 HB2 GLU A 40 10.605 3.857 11.768 1.00 0.00 H -ATOM 695 HB3 GLU A 40 11.293 4.900 10.541 1.00 0.00 H -ATOM 696 HG2 GLU A 40 10.466 6.853 11.731 1.00 0.00 H -ATOM 697 HG3 GLU A 40 9.720 5.801 12.938 1.00 0.00 H -ATOM 698 N ALA A 41 7.167 5.054 11.729 1.00 0.00 N -ATOM 699 CA ALA A 41 6.011 4.669 12.531 1.00 0.00 C -ATOM 700 C ALA A 41 4.994 3.866 11.711 1.00 0.00 C -ATOM 701 O ALA A 41 4.105 3.233 12.259 1.00 0.00 O -ATOM 702 CB ALA A 41 5.350 5.897 13.132 1.00 0.00 C -ATOM 703 H ALA A 41 7.322 6.007 11.540 1.00 0.00 H -ATOM 704 HA ALA A 41 6.369 4.048 13.340 1.00 0.00 H -ATOM 705 HB1 ALA A 41 4.976 6.527 12.338 1.00 0.00 H -ATOM 706 HB2 ALA A 41 6.072 6.445 13.721 1.00 0.00 H -ATOM 707 HB3 ALA A 41 4.530 5.590 13.763 1.00 0.00 H -ATOM 708 N ASN A 42 5.131 3.890 10.400 1.00 0.00 N -ATOM 709 CA ASN A 42 4.206 3.171 9.539 1.00 0.00 C -ATOM 710 C ASN A 42 4.792 1.863 9.042 1.00 0.00 C -ATOM 711 O ASN A 42 4.105 1.108 8.356 1.00 0.00 O -ATOM 712 CB ASN A 42 3.757 4.031 8.344 1.00 0.00 C -ATOM 713 CG ASN A 42 2.854 5.190 8.713 1.00 0.00 C -ATOM 714 OD1 ASN A 42 2.073 5.127 9.673 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.941 6.251 7.959 1.00 0.00 N -ATOM 716 H ASN A 42 5.869 4.401 9.998 1.00 0.00 H -ATOM 717 HA ASN A 42 3.333 2.941 10.134 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.633 4.462 7.884 1.00 0.00 H -ATOM 719 HB3 ASN A 42 3.244 3.407 7.628 1.00 0.00 H -ATOM 720 HD21 ASN A 42 3.577 6.227 7.215 1.00 0.00 H -ATOM 721 HD22 ASN A 42 2.382 7.037 8.140 1.00 0.00 H -ATOM 722 N LYS A 43 6.049 1.589 9.396 1.00 0.00 N -ATOM 723 CA LYS A 43 6.738 0.371 8.933 1.00 0.00 C -ATOM 724 C LYS A 43 6.166 -0.866 9.604 1.00 0.00 C -ATOM 725 O LYS A 43 5.709 -0.812 10.761 1.00 0.00 O -ATOM 726 CB LYS A 43 8.261 0.410 9.202 1.00 0.00 C -ATOM 727 CG LYS A 43 9.002 1.581 8.593 1.00 0.00 C -ATOM 728 CD LYS A 43 10.505 1.523 8.886 1.00 0.00 C -ATOM 729 CE LYS A 43 11.282 0.734 7.826 1.00 0.00 C -ATOM 730 NZ LYS A 43 11.562 1.554 6.613 1.00 0.00 N -ATOM 731 H LYS A 43 6.513 2.204 10.002 1.00 0.00 H -ATOM 732 HA LYS A 43 6.577 0.292 7.867 1.00 0.00 H -ATOM 733 HB2 LYS A 43 8.421 0.460 10.269 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.700 -0.503 8.830 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.850 1.556 7.522 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.571 2.482 8.995 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.896 2.529 8.918 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.647 1.051 9.847 1.00 0.00 H -ATOM 739 HE2 LYS A 43 12.222 0.406 8.244 1.00 0.00 H -ATOM 740 HE3 LYS A 43 10.695 -0.123 7.534 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 10.732 2.074 6.257 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 11.903 0.986 5.805 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.302 2.258 6.808 1.00 0.00 H -ATOM 744 N LEU A 44 6.150 -1.947 8.876 1.00 0.00 N -ATOM 745 CA LEU A 44 5.754 -3.227 9.404 1.00 0.00 C -ATOM 746 C LEU A 44 6.977 -3.933 9.973 1.00 0.00 C -ATOM 747 O LEU A 44 8.117 -3.560 9.664 1.00 0.00 O -ATOM 748 CB LEU A 44 5.129 -4.103 8.314 1.00 0.00 C -ATOM 749 CG LEU A 44 3.855 -3.583 7.654 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.361 -4.578 6.628 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.782 -3.322 8.690 1.00 0.00 C -ATOM 752 H LEU A 44 6.414 -1.877 7.931 1.00 0.00 H -ATOM 753 HA LEU A 44 5.032 -3.065 10.189 1.00 0.00 H -ATOM 754 HB2 LEU A 44 5.868 -4.232 7.538 1.00 0.00 H -ATOM 755 HB3 LEU A 44 4.918 -5.072 8.739 1.00 0.00 H -ATOM 756 HG LEU A 44 4.071 -2.657 7.144 1.00 0.00 H -ATOM 757 HD11 LEU A 44 4.112 -4.716 5.865 1.00 0.00 H -ATOM 758 HD12 LEU A 44 2.451 -4.209 6.181 1.00 0.00 H -ATOM 759 HD13 LEU A 44 3.164 -5.524 7.111 1.00 0.00 H -ATOM 760 HD21 LEU A 44 1.890 -2.978 8.189 1.00 0.00 H -ATOM 761 HD22 LEU A 44 3.129 -2.566 9.377 1.00 0.00 H -ATOM 762 HD23 LEU A 44 2.569 -4.234 9.227 1.00 0.00 H -ATOM 763 N ARG A 45 6.744 -4.942 10.764 1.00 0.00 N -ATOM 764 CA ARG A 45 7.787 -5.703 11.394 1.00 0.00 C -ATOM 765 C ARG A 45 8.161 -6.884 10.524 1.00 0.00 C -ATOM 766 O ARG A 45 7.282 -7.602 10.041 1.00 0.00 O -ATOM 767 CB ARG A 45 7.296 -6.220 12.737 1.00 0.00 C -ATOM 768 CG ARG A 45 6.964 -5.142 13.746 1.00 0.00 C -ATOM 769 CD ARG A 45 6.336 -5.737 14.992 1.00 0.00 C -ATOM 770 NE ARG A 45 7.219 -6.710 15.662 1.00 0.00 N -ATOM 771 CZ ARG A 45 6.806 -7.856 16.234 1.00 0.00 C -ATOM 772 NH1 ARG A 45 5.576 -8.309 16.023 1.00 0.00 N -ATOM 773 NH2 ARG A 45 7.659 -8.582 16.938 1.00 0.00 N -ATOM 774 H ARG A 45 5.820 -5.217 10.940 1.00 0.00 H -ATOM 775 HA ARG A 45 8.647 -5.070 11.557 1.00 0.00 H -ATOM 776 HB2 ARG A 45 6.407 -6.808 12.569 1.00 0.00 H -ATOM 777 HB3 ARG A 45 8.057 -6.859 13.153 1.00 0.00 H -ATOM 778 HG2 ARG A 45 7.876 -4.636 14.024 1.00 0.00 H -ATOM 779 HG3 ARG A 45 6.278 -4.439 13.300 1.00 0.00 H -ATOM 780 HD2 ARG A 45 6.113 -4.937 15.682 1.00 0.00 H -ATOM 781 HD3 ARG A 45 5.417 -6.229 14.713 1.00 0.00 H -ATOM 782 HE ARG A 45 8.163 -6.434 15.720 1.00 0.00 H -ATOM 783 HH11 ARG A 45 4.921 -7.832 15.428 1.00 0.00 H -ATOM 784 HH12 ARG A 45 5.232 -9.148 16.454 1.00 0.00 H -ATOM 785 HH21 ARG A 45 8.613 -8.291 17.043 1.00 0.00 H -ATOM 786 HH22 ARG A 45 7.403 -9.435 17.402 1.00 0.00 H -ATOM 787 N GLY A 46 9.448 -7.059 10.300 1.00 0.00 N -ATOM 788 CA GLY A 46 9.950 -8.202 9.557 1.00 0.00 C -ATOM 789 C GLY A 46 9.600 -8.158 8.093 1.00 0.00 C -ATOM 790 O GLY A 46 9.587 -9.193 7.418 1.00 0.00 O -ATOM 791 H GLY A 46 10.082 -6.392 10.640 1.00 0.00 H -ATOM 792 HA2 GLY A 46 11.024 -8.254 9.660 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.520 -9.095 9.985 1.00 0.00 H -ATOM 794 N MET A 47 9.338 -6.984 7.598 1.00 0.00 N -ATOM 795 CA MET A 47 8.933 -6.807 6.225 1.00 0.00 C -ATOM 796 C MET A 47 9.848 -5.797 5.566 1.00 0.00 C -ATOM 797 O MET A 47 10.074 -4.727 6.125 1.00 0.00 O -ATOM 798 CB MET A 47 7.477 -6.325 6.153 1.00 0.00 C -ATOM 799 CG MET A 47 6.442 -7.302 6.713 1.00 0.00 C -ATOM 800 SD MET A 47 6.328 -8.850 5.781 1.00 0.00 S -ATOM 801 CE MET A 47 5.711 -8.263 4.200 1.00 0.00 C -ATOM 802 H MET A 47 9.449 -6.190 8.164 1.00 0.00 H -ATOM 803 HA MET A 47 9.017 -7.761 5.726 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.404 -5.405 6.713 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.235 -6.121 5.120 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.709 -7.541 7.732 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.475 -6.820 6.708 1.00 0.00 H -ATOM 808 HE1 MET A 47 4.760 -7.772 4.349 1.00 0.00 H -ATOM 809 HE2 MET A 47 5.575 -9.105 3.537 1.00 0.00 H -ATOM 810 HE3 MET A 47 6.413 -7.570 3.762 1.00 0.00 H -ATOM 811 N PRO A 48 10.405 -6.118 4.388 1.00 0.00 N -ATOM 812 CA PRO A 48 11.325 -5.223 3.683 1.00 0.00 C -ATOM 813 C PRO A 48 10.652 -3.923 3.215 1.00 0.00 C -ATOM 814 O PRO A 48 9.909 -3.910 2.221 1.00 0.00 O -ATOM 815 CB PRO A 48 11.817 -6.051 2.488 1.00 0.00 C -ATOM 816 CG PRO A 48 10.777 -7.101 2.292 1.00 0.00 C -ATOM 817 CD PRO A 48 10.187 -7.378 3.648 1.00 0.00 C -ATOM 818 HA PRO A 48 12.162 -4.967 4.317 1.00 0.00 H -ATOM 819 HB2 PRO A 48 11.908 -5.414 1.621 1.00 0.00 H -ATOM 820 HB3 PRO A 48 12.777 -6.486 2.723 1.00 0.00 H -ATOM 821 HG2 PRO A 48 10.012 -6.736 1.621 1.00 0.00 H -ATOM 822 HG3 PRO A 48 11.230 -7.996 1.890 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.132 -7.593 3.558 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.704 -8.198 4.124 1.00 0.00 H -ATOM 825 N ASP A 49 10.855 -2.859 4.011 1.00 0.00 N -ATOM 826 CA ASP A 49 10.340 -1.503 3.732 1.00 0.00 C -ATOM 827 C ASP A 49 8.865 -1.480 3.461 1.00 0.00 C -ATOM 828 O ASP A 49 8.397 -0.755 2.578 1.00 0.00 O -ATOM 829 CB ASP A 49 11.095 -0.785 2.603 1.00 0.00 C -ATOM 830 CG ASP A 49 12.324 -0.064 3.084 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.223 0.711 4.072 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.409 -0.224 2.483 1.00 0.00 O -ATOM 833 H ASP A 49 11.347 -3.018 4.844 1.00 0.00 H -ATOM 834 HA ASP A 49 10.494 -0.942 4.643 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.398 -1.510 1.863 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.432 -0.066 2.143 1.00 0.00 H -ATOM 837 N CYS A 50 8.121 -2.225 4.228 1.00 0.00 N -ATOM 838 CA CYS A 50 6.713 -2.249 4.029 1.00 0.00 C -ATOM 839 C CYS A 50 6.055 -1.354 5.048 1.00 0.00 C -ATOM 840 O CYS A 50 6.483 -1.291 6.204 1.00 0.00 O -ATOM 841 CB CYS A 50 6.187 -3.673 4.122 1.00 0.00 C -ATOM 842 SG CYS A 50 6.978 -4.821 2.964 1.00 0.00 S -ATOM 843 H CYS A 50 8.516 -2.747 4.958 1.00 0.00 H -ATOM 844 HA CYS A 50 6.505 -1.860 3.044 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.352 -4.045 5.121 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.127 -3.673 3.914 1.00 0.00 H -ATOM 847 HG CYS A 50 8.068 -4.229 2.487 1.00 0.00 H -ATOM 848 N TYR A 51 5.046 -0.664 4.617 1.00 0.00 N -ATOM 849 CA TYR A 51 4.326 0.281 5.427 1.00 0.00 C -ATOM 850 C TYR A 51 2.865 0.046 5.228 1.00 0.00 C -ATOM 851 O TYR A 51 2.467 -0.556 4.220 1.00 0.00 O -ATOM 852 CB TYR A 51 4.630 1.727 4.995 1.00 0.00 C -ATOM 853 CG TYR A 51 6.072 2.156 5.080 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.006 1.750 4.141 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.493 2.973 6.096 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.316 2.151 4.229 1.00 0.00 C -ATOM 857 CE2 TYR A 51 7.794 3.376 6.186 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.700 2.963 5.256 1.00 0.00 C -ATOM 859 OH TYR A 51 10.003 3.357 5.367 1.00 0.00 O -ATOM 860 H TYR A 51 4.750 -0.793 3.685 1.00 0.00 H -ATOM 861 HA TYR A 51 4.595 0.156 6.464 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.313 1.867 3.973 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.053 2.388 5.626 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.695 1.107 3.331 1.00 0.00 H -ATOM 865 HD2 TYR A 51 5.780 3.296 6.838 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.033 1.821 3.491 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.101 4.020 6.997 1.00 0.00 H -ATOM 868 HH TYR A 51 10.317 3.641 4.497 1.00 0.00 H -ATOM 869 N LYS A 52 2.066 0.501 6.153 1.00 0.00 N -ATOM 870 CA LYS A 52 0.646 0.367 6.018 1.00 0.00 C -ATOM 871 C LYS A 52 -0.032 1.680 6.370 1.00 0.00 C -ATOM 872 O LYS A 52 0.399 2.387 7.293 1.00 0.00 O -ATOM 873 CB LYS A 52 0.074 -0.805 6.886 1.00 0.00 C -ATOM 874 CG LYS A 52 -0.159 -0.531 8.395 1.00 0.00 C -ATOM 875 CD LYS A 52 1.099 -0.110 9.149 1.00 0.00 C -ATOM 876 CE LYS A 52 0.816 0.104 10.629 1.00 0.00 C -ATOM 877 NZ LYS A 52 -0.243 1.113 10.873 1.00 0.00 N -ATOM 878 H LYS A 52 2.444 0.946 6.942 1.00 0.00 H -ATOM 879 HA LYS A 52 0.442 0.157 4.978 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.877 -1.101 6.468 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.751 -1.642 6.798 1.00 0.00 H -ATOM 882 HG2 LYS A 52 -0.889 0.259 8.491 1.00 0.00 H -ATOM 883 HG3 LYS A 52 -0.554 -1.429 8.846 1.00 0.00 H -ATOM 884 HD2 LYS A 52 1.852 -0.877 9.043 1.00 0.00 H -ATOM 885 HD3 LYS A 52 1.465 0.813 8.724 1.00 0.00 H -ATOM 886 HE2 LYS A 52 0.505 -0.834 11.062 1.00 0.00 H -ATOM 887 HE3 LYS A 52 1.728 0.431 11.105 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 -0.369 1.226 11.900 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 -1.163 0.797 10.512 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 0.001 2.046 10.488 1.00 0.00 H -ATOM 891 N ILE A 53 -1.042 2.022 5.634 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.852 3.177 5.942 1.00 0.00 C -ATOM 893 C ILE A 53 -3.249 2.672 6.165 1.00 0.00 C -ATOM 894 O ILE A 53 -3.663 1.703 5.528 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.867 4.259 4.811 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.436 4.691 4.462 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -2.695 5.488 5.259 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.354 5.716 3.349 1.00 0.00 C -ATOM 899 H ILE A 53 -1.272 1.463 4.857 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.484 3.608 6.862 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.338 3.833 3.937 1.00 0.00 H -ATOM 902 HG12 ILE A 53 0.023 5.124 5.337 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.129 3.822 4.157 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -3.715 5.202 5.476 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.709 6.242 4.486 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -2.262 5.916 6.150 1.00 0.00 H -ATOM 907 HD11 ILE A 53 -0.873 6.613 3.651 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -0.818 5.318 2.457 1.00 0.00 H -ATOM 909 HD13 ILE A 53 0.680 5.949 3.147 1.00 0.00 H -ATOM 910 N LYS A 54 -3.944 3.265 7.074 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.275 2.860 7.367 1.00 0.00 C -ATOM 912 C LYS A 54 -6.238 4.024 7.310 1.00 0.00 C -ATOM 913 O LYS A 54 -5.895 5.152 7.687 1.00 0.00 O -ATOM 914 CB LYS A 54 -5.338 2.076 8.707 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.465 2.624 9.863 1.00 0.00 C -ATOM 916 CD LYS A 54 -4.892 3.996 10.384 1.00 0.00 C -ATOM 917 CE LYS A 54 -6.242 3.962 11.093 1.00 0.00 C -ATOM 918 NZ LYS A 54 -6.210 3.128 12.317 1.00 0.00 N -ATOM 919 H LYS A 54 -3.571 4.028 7.562 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.558 2.181 6.576 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -6.363 2.049 9.046 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -5.020 1.064 8.511 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.519 1.924 10.681 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -3.442 2.676 9.518 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -4.147 4.354 11.077 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -4.954 4.670 9.541 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -6.508 4.975 11.356 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -6.978 3.569 10.406 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -5.992 2.135 12.094 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -7.130 3.151 12.800 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -5.483 3.479 12.972 1.00 0.00 H -ATOM 932 N LEU A 55 -7.397 3.774 6.775 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.438 4.742 6.744 1.00 0.00 C -ATOM 934 C LEU A 55 -9.203 4.681 8.018 1.00 0.00 C -ATOM 935 O LEU A 55 -9.847 3.674 8.306 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.411 4.506 5.592 1.00 0.00 C -ATOM 937 CG LEU A 55 -8.945 4.832 4.186 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -10.074 4.590 3.209 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -8.458 6.269 4.104 1.00 0.00 C -ATOM 940 H LEU A 55 -7.570 2.888 6.381 1.00 0.00 H -ATOM 941 HA LEU A 55 -8.001 5.723 6.634 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -9.685 3.461 5.610 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -10.296 5.082 5.804 1.00 0.00 H -ATOM 944 HG LEU A 55 -8.142 4.179 3.887 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -9.744 4.836 2.211 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -10.918 5.209 3.477 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -10.364 3.551 3.247 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -7.600 6.401 4.744 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -9.250 6.929 4.427 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -8.188 6.498 3.083 1.00 0.00 H -ATOM 951 N ARG A 56 -9.148 5.741 8.767 1.00 0.00 N -ATOM 952 CA ARG A 56 -9.903 5.861 10.000 1.00 0.00 C -ATOM 953 C ARG A 56 -11.391 5.892 9.649 1.00 0.00 C -ATOM 954 O ARG A 56 -12.239 5.434 10.402 1.00 0.00 O -ATOM 955 CB ARG A 56 -9.515 7.160 10.695 1.00 0.00 C -ATOM 956 CG ARG A 56 -10.187 7.398 12.033 1.00 0.00 C -ATOM 957 CD ARG A 56 -9.896 8.800 12.520 1.00 0.00 C -ATOM 958 NE ARG A 56 -10.455 9.806 11.609 1.00 0.00 N -ATOM 959 CZ ARG A 56 -9.849 10.939 11.230 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -8.586 11.193 11.593 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -10.500 11.797 10.465 1.00 0.00 N -ATOM 962 H ARG A 56 -8.571 6.483 8.478 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.685 5.021 10.643 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -8.446 7.161 10.853 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -9.764 7.985 10.043 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -11.253 7.276 11.915 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -9.812 6.687 12.754 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -10.327 8.931 13.502 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -8.826 8.934 12.572 1.00 0.00 H -ATOM 970 HE ARG A 56 -11.371 9.607 11.299 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -8.042 10.565 12.153 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -8.116 12.040 11.328 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -11.439 11.635 10.150 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -10.093 12.671 10.181 1.00 0.00 H -ATOM 975 N SER A 57 -11.664 6.422 8.487 1.00 0.00 N -ATOM 976 CA SER A 57 -12.979 6.573 7.962 1.00 0.00 C -ATOM 977 C SER A 57 -13.642 5.205 7.659 1.00 0.00 C -ATOM 978 O SER A 57 -14.619 4.808 8.312 1.00 0.00 O -ATOM 979 CB SER A 57 -12.831 7.374 6.686 1.00 0.00 C -ATOM 980 OG SER A 57 -11.803 8.343 6.862 1.00 0.00 O -ATOM 981 H SER A 57 -10.938 6.792 7.939 1.00 0.00 H -ATOM 982 HA SER A 57 -13.580 7.148 8.648 1.00 0.00 H -ATOM 983 HB2 SER A 57 -12.561 6.713 5.875 1.00 0.00 H -ATOM 984 HB3 SER A 57 -13.756 7.882 6.457 1.00 0.00 H -ATOM 985 HG SER A 57 -12.212 9.214 6.917 1.00 0.00 H -ATOM 986 N SER A 58 -13.078 4.483 6.706 1.00 0.00 N -ATOM 987 CA SER A 58 -13.669 3.257 6.213 1.00 0.00 C -ATOM 988 C SER A 58 -13.211 2.003 6.980 1.00 0.00 C -ATOM 989 O SER A 58 -13.899 0.986 6.964 1.00 0.00 O -ATOM 990 CB SER A 58 -13.325 3.133 4.739 1.00 0.00 C -ATOM 991 OG SER A 58 -13.589 4.359 4.071 1.00 0.00 O -ATOM 992 H SER A 58 -12.255 4.798 6.284 1.00 0.00 H -ATOM 993 HA SER A 58 -14.741 3.336 6.293 1.00 0.00 H -ATOM 994 HB2 SER A 58 -12.276 2.897 4.631 1.00 0.00 H -ATOM 995 HB3 SER A 58 -13.924 2.356 4.289 1.00 0.00 H -ATOM 996 HG SER A 58 -14.525 4.561 4.196 1.00 0.00 H -ATOM 997 N GLY A 59 -12.064 2.073 7.636 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.556 0.911 8.349 1.00 0.00 C -ATOM 999 C GLY A 59 -10.730 0.003 7.451 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.440 -1.149 7.804 1.00 0.00 O -ATOM 1001 H GLY A 59 -11.548 2.907 7.678 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.941 1.246 9.172 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -12.392 0.347 8.736 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.348 0.522 6.301 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.560 -0.224 5.333 1.00 0.00 C -ATOM 1006 C TYR A 60 -8.101 0.098 5.486 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.742 1.231 5.814 1.00 0.00 O -ATOM 1008 CB TYR A 60 -10.028 0.054 3.898 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.320 -0.639 3.528 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.532 -0.240 4.066 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.321 -1.708 2.644 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.704 -0.880 3.737 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.489 -2.358 2.311 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.677 -1.938 2.859 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.849 -2.588 2.538 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.577 1.452 6.107 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.702 -1.273 5.547 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.179 1.116 3.778 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.263 -0.271 3.209 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.549 0.591 4.756 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.386 -2.032 2.212 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.638 -0.549 4.166 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.469 -3.189 1.622 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.484 -1.901 2.295 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.271 -0.886 5.273 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.855 -0.754 5.435 1.00 0.00 C -ATOM 1027 C ARG A 61 -5.170 -1.103 4.122 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.658 -1.941 3.360 1.00 0.00 O -ATOM 1029 CB ARG A 61 -5.393 -1.701 6.533 1.00 0.00 C -ATOM 1030 CG ARG A 61 -6.240 -1.614 7.794 1.00 0.00 C -ATOM 1031 CD ARG A 61 -5.743 -2.553 8.845 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.628 -2.599 10.017 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -6.320 -3.151 11.202 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -5.083 -3.573 11.447 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.244 -3.242 12.148 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.606 -1.762 4.973 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.621 0.260 5.718 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.437 -2.713 6.161 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -4.372 -1.464 6.793 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -6.210 -0.607 8.180 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -7.258 -1.873 7.544 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -5.661 -3.536 8.407 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -4.770 -2.198 9.137 1.00 0.00 H -ATOM 1044 HE ARG A 61 -7.524 -2.222 9.860 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -4.354 -3.485 10.762 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -4.823 -3.998 12.320 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -8.177 -2.905 12.000 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -7.063 -3.638 13.051 1.00 0.00 H -ATOM 1049 N LEU A 62 -4.071 -0.467 3.854 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.326 -0.691 2.640 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.856 -0.897 2.996 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.312 -0.150 3.801 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.557 0.521 1.695 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.936 0.491 0.284 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.627 1.509 -0.599 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.461 0.822 0.334 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.735 0.202 4.492 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.706 -1.587 2.174 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.623 0.639 1.575 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.186 1.399 2.202 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.059 -0.487 -0.154 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -4.680 1.272 -0.659 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.196 1.469 -1.588 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.500 2.496 -0.179 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -0.943 0.061 0.897 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.337 1.772 0.831 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.064 0.874 -0.669 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.235 -1.910 2.403 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.158 -2.266 2.676 1.00 0.00 C -ATOM 1070 C VAL A 63 0.997 -2.155 1.393 1.00 0.00 C -ATOM 1071 O VAL A 63 0.646 -2.729 0.341 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.272 -3.719 3.241 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.725 -4.104 3.495 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.543 -3.870 4.520 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.708 -2.442 1.723 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.545 -1.575 3.411 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.129 -4.396 2.500 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.152 -3.417 4.211 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.283 -4.054 2.572 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 1.771 -5.108 3.893 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.441 -4.878 4.895 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -1.582 -3.662 4.314 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -0.180 -3.172 5.260 1.00 0.00 H -ATOM 1084 N TYR A 64 2.092 -1.445 1.481 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.965 -1.232 0.346 1.00 0.00 C -ATOM 1086 C TYR A 64 4.420 -1.334 0.754 1.00 0.00 C -ATOM 1087 O TYR A 64 4.738 -1.195 1.933 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.691 0.136 -0.318 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.812 1.362 0.583 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.038 1.782 1.088 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.699 2.106 0.903 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.138 2.895 1.880 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.790 3.222 1.695 1.00 0.00 C -ATOM 1094 CZ TYR A 64 3.015 3.613 2.183 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.115 4.720 2.982 1.00 0.00 O -ATOM 1096 H TYR A 64 2.341 -1.061 2.353 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.760 -2.008 -0.375 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.372 0.277 -1.143 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.682 0.119 -0.703 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.922 1.212 0.848 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.737 1.797 0.522 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.101 3.201 2.261 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.895 3.783 1.918 1.00 0.00 H -ATOM 1104 HH TYR A 64 3.895 5.216 2.722 1.00 0.00 H -ATOM 1105 N GLN A 65 5.282 -1.589 -0.199 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.704 -1.587 0.047 1.00 0.00 C -ATOM 1107 C GLN A 65 7.319 -0.408 -0.693 1.00 0.00 C -ATOM 1108 O GLN A 65 6.927 -0.097 -1.825 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.379 -2.915 -0.365 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.336 -3.238 -1.857 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.062 -4.526 -2.197 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.479 -5.608 -2.214 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.342 -4.432 -2.451 1.00 0.00 N -ATOM 1114 H GLN A 65 4.960 -1.760 -1.113 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.844 -1.418 1.104 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.417 -2.877 -0.070 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.900 -3.721 0.170 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.305 -3.331 -2.164 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.798 -2.427 -2.400 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.786 -3.558 -2.416 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.838 -5.249 -2.662 1.00 0.00 H -ATOM 1122 N VAL A 66 8.215 0.277 -0.059 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.855 1.412 -0.679 1.00 0.00 C -ATOM 1124 C VAL A 66 10.183 0.994 -1.269 1.00 0.00 C -ATOM 1125 O VAL A 66 11.112 0.624 -0.543 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.069 2.585 0.314 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.773 3.764 -0.364 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.743 3.036 0.895 1.00 0.00 C -ATOM 1129 H VAL A 66 8.462 0.005 0.854 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.214 1.748 -1.482 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.694 2.232 1.121 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 9.171 4.117 -1.189 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 10.736 3.443 -0.734 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.910 4.561 0.351 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.102 3.398 0.106 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.918 3.819 1.617 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 7.270 2.199 1.386 1.00 0.00 H -ATOM 1138 N ILE A 67 10.277 1.023 -2.567 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.503 0.696 -3.213 1.00 0.00 C -ATOM 1140 C ILE A 67 12.213 2.005 -3.479 1.00 0.00 C -ATOM 1141 O ILE A 67 11.941 2.682 -4.482 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.278 -0.037 -4.562 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.251 -1.171 -4.399 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.609 -0.601 -5.066 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.869 -1.851 -5.700 1.00 0.00 C -ATOM 1146 H ILE A 67 9.510 1.298 -3.120 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.096 0.081 -2.553 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.912 0.678 -5.284 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.659 -1.925 -3.741 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.353 -0.768 -3.955 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 13.307 0.211 -5.216 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 12.448 -1.116 -6.002 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.009 -1.292 -4.339 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 9.444 -1.116 -6.368 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.141 -2.624 -5.504 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 10.749 -2.282 -6.154 1.00 0.00 H -ATOM 1157 N ASP A 68 13.098 2.379 -2.584 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.802 3.648 -2.670 1.00 0.00 C -ATOM 1159 C ASP A 68 14.765 3.646 -3.836 1.00 0.00 C -ATOM 1160 O ASP A 68 15.052 4.683 -4.422 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.551 3.936 -1.367 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.694 2.975 -1.095 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 15.443 1.847 -0.641 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 16.858 3.347 -1.314 1.00 0.00 O -ATOM 1165 H ASP A 68 13.299 1.806 -1.810 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.067 4.424 -2.826 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 14.951 4.934 -1.421 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 13.851 3.882 -0.546 1.00 0.00 H -ATOM 1169 N GLU A 69 15.206 2.465 -4.188 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.138 2.238 -5.278 1.00 0.00 C -ATOM 1171 C GLU A 69 15.500 2.556 -6.636 1.00 0.00 C -ATOM 1172 O GLU A 69 16.178 2.959 -7.574 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.581 0.791 -5.225 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.260 0.425 -3.918 1.00 0.00 C -ATOM 1175 CD GLU A 69 17.462 -1.050 -3.764 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 18.416 -1.603 -4.341 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 16.648 -1.700 -3.056 1.00 0.00 O -ATOM 1178 H GLU A 69 14.910 1.699 -3.655 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.001 2.867 -5.128 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.720 0.152 -5.358 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.279 0.617 -6.029 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 18.225 0.907 -3.880 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 16.651 0.781 -3.100 1.00 0.00 H -ATOM 1184 N LYS A 70 14.198 2.370 -6.734 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.478 2.660 -7.968 1.00 0.00 C -ATOM 1186 C LYS A 70 12.675 3.946 -7.820 1.00 0.00 C -ATOM 1187 O LYS A 70 12.072 4.430 -8.779 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.534 1.514 -8.335 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.200 0.197 -8.688 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.145 -0.847 -9.037 1.00 0.00 C -ATOM 1191 CE LYS A 70 12.750 -2.202 -9.379 1.00 0.00 C -ATOM 1192 NZ LYS A 70 13.663 -2.144 -10.548 1.00 0.00 N -ATOM 1193 H LYS A 70 13.707 2.041 -5.955 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.205 2.785 -8.755 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 11.912 1.322 -7.474 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 11.911 1.821 -9.163 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 13.849 0.347 -9.539 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 13.777 -0.150 -7.844 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 11.486 -0.970 -8.190 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 11.573 -0.491 -9.881 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 13.298 -2.564 -8.523 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 11.946 -2.889 -9.591 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 13.159 -1.832 -11.402 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 14.052 -3.094 -10.723 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 14.466 -1.508 -10.377 1.00 0.00 H -ATOM 1206 N VAL A 71 12.666 4.484 -6.594 1.00 0.00 N -ATOM 1207 CA VAL A 71 11.934 5.713 -6.244 1.00 0.00 C -ATOM 1208 C VAL A 71 10.405 5.461 -6.412 1.00 0.00 C -ATOM 1209 O VAL A 71 9.607 6.366 -6.636 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.439 6.954 -7.104 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 11.824 8.279 -6.641 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 13.964 7.056 -7.064 1.00 0.00 C -ATOM 1213 H VAL A 71 13.178 4.036 -5.890 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.120 5.896 -5.196 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.141 6.786 -8.128 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 12.078 8.452 -5.606 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 10.750 8.232 -6.745 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.206 9.087 -7.246 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.292 7.188 -6.043 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.285 7.901 -7.656 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.395 6.152 -7.465 1.00 0.00 H -ATOM 1222 N VAL A 72 9.998 4.226 -6.221 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.608 3.882 -6.392 1.00 0.00 C -ATOM 1224 C VAL A 72 8.086 3.088 -5.200 1.00 0.00 C -ATOM 1225 O VAL A 72 8.788 2.251 -4.617 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.328 3.126 -7.745 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 8.995 1.772 -7.797 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 6.832 3.003 -8.036 1.00 0.00 C -ATOM 1229 H VAL A 72 10.630 3.536 -5.923 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.065 4.818 -6.409 1.00 0.00 H -ATOM 1231 HB VAL A 72 8.774 3.713 -8.535 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 8.761 1.301 -8.741 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 8.635 1.165 -6.980 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 10.060 1.910 -7.713 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.353 2.458 -7.236 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.686 2.477 -8.968 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.396 3.989 -8.108 1.00 0.00 H -ATOM 1238 N VAL A 73 6.903 3.414 -4.817 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.191 2.767 -3.779 1.00 0.00 C -ATOM 1240 C VAL A 73 5.266 1.747 -4.433 1.00 0.00 C -ATOM 1241 O VAL A 73 4.426 2.094 -5.278 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.375 3.803 -2.975 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.598 3.142 -1.875 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.288 4.882 -2.405 1.00 0.00 C -ATOM 1245 H VAL A 73 6.445 4.152 -5.273 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.889 2.269 -3.124 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.679 4.280 -3.648 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 3.915 2.422 -2.301 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 4.040 3.887 -1.329 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 5.279 2.635 -1.208 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 7.031 4.428 -1.766 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 5.705 5.587 -1.833 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 6.780 5.397 -3.216 1.00 0.00 H -ATOM 1254 N PHE A 74 5.440 0.519 -4.076 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.739 -0.570 -4.692 1.00 0.00 C -ATOM 1256 C PHE A 74 3.712 -1.141 -3.719 1.00 0.00 C -ATOM 1257 O PHE A 74 4.076 -1.723 -2.694 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.783 -1.623 -5.095 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.275 -2.800 -5.871 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.938 -2.670 -7.208 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 5.177 -4.046 -5.275 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.510 -3.757 -7.935 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.745 -5.139 -5.997 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.414 -4.993 -7.331 1.00 0.00 C -ATOM 1265 H PHE A 74 6.060 0.311 -3.341 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.245 -0.211 -5.583 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.536 -1.146 -5.703 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.258 -1.992 -4.198 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 5.013 -1.702 -7.679 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.434 -4.157 -4.232 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.250 -3.644 -8.977 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.670 -6.108 -5.523 1.00 0.00 H -ATOM 1273 HZ PHE A 74 4.078 -5.847 -7.901 1.00 0.00 H -ATOM 1274 N VAL A 75 2.446 -0.935 -4.014 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.362 -1.440 -3.178 1.00 0.00 C -ATOM 1276 C VAL A 75 1.202 -2.919 -3.428 1.00 0.00 C -ATOM 1277 O VAL A 75 0.960 -3.320 -4.556 1.00 0.00 O -ATOM 1278 CB VAL A 75 0.018 -0.714 -3.473 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.110 -1.259 -2.602 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.165 0.789 -3.279 1.00 0.00 C -ATOM 1281 H VAL A 75 2.226 -0.442 -4.837 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.632 -1.290 -2.143 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.244 -0.898 -4.505 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.252 -2.308 -2.814 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -2.025 -0.724 -2.804 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -0.850 -1.142 -1.559 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 -0.782 1.271 -3.474 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 0.908 1.165 -3.967 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.478 1.000 -2.267 1.00 0.00 H -ATOM 1290 N ILE A 76 1.331 -3.714 -2.383 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.277 -5.162 -2.524 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.115 -5.670 -2.172 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.670 -6.542 -2.839 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.286 -5.861 -1.570 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.675 -5.222 -1.670 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.376 -7.358 -1.901 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.663 -5.764 -0.655 1.00 0.00 C -ATOM 1298 H ILE A 76 1.456 -3.322 -1.492 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.520 -5.427 -3.542 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.921 -5.760 -0.558 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.081 -5.406 -2.654 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.589 -4.156 -1.518 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 2.678 -7.482 -2.932 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 1.416 -7.827 -1.748 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 3.113 -7.819 -1.259 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 5.618 -5.281 -0.792 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.773 -6.830 -0.795 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 4.300 -5.569 0.343 1.00 0.00 H -ATOM 1309 N SER A 77 -0.683 -5.128 -1.124 1.00 0.00 N -ATOM 1310 CA SER A 77 -1.959 -5.591 -0.647 1.00 0.00 C -ATOM 1311 C SER A 77 -2.791 -4.422 -0.157 1.00 0.00 C -ATOM 1312 O SER A 77 -2.252 -3.433 0.329 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.743 -6.605 0.481 1.00 0.00 C -ATOM 1314 OG SER A 77 -0.912 -7.667 0.036 1.00 0.00 O -ATOM 1315 H SER A 77 -0.258 -4.384 -0.643 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.471 -6.083 -1.461 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.268 -6.117 1.320 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.695 -7.012 0.789 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.760 -7.545 -0.909 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.077 -4.523 -0.315 1.00 0.00 N -ATOM 1321 CA VAL A 78 -4.984 -3.499 0.109 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.302 -4.150 0.503 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.689 -5.158 -0.088 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.188 -2.421 -1.018 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.727 -3.027 -2.300 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.078 -1.292 -0.553 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.486 -5.319 -0.720 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.558 -3.024 0.980 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.215 -2.012 -1.245 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -5.038 -3.778 -2.661 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.836 -2.254 -3.046 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -6.687 -3.481 -2.108 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -7.051 -1.680 -0.290 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -6.176 -0.565 -1.346 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -5.632 -0.821 0.311 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.928 -3.649 1.535 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.206 -4.158 1.917 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.446 -4.043 3.391 1.00 0.00 C -ATOM 1339 O GLY A 79 -8.488 -2.940 3.935 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.525 -2.940 2.087 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.962 -3.587 1.398 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.293 -5.190 1.615 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.567 -5.153 4.053 1.00 0.00 N -ATOM 1344 CA LYS A 80 -8.895 -5.160 5.452 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.060 -6.171 6.185 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.652 -7.185 5.630 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.387 -5.476 5.658 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.333 -4.430 5.081 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.792 -4.845 5.178 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.248 -5.015 6.616 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -14.667 -5.426 6.701 1.00 0.00 N -ATOM 1352 H LYS A 80 -8.395 -6.017 3.615 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.699 -4.176 5.848 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.605 -6.424 5.191 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.570 -5.556 6.719 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.203 -3.506 5.627 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.078 -4.268 4.044 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -13.395 -4.084 4.709 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -12.932 -5.777 4.651 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -12.643 -5.779 7.080 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -13.112 -4.080 7.139 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -15.295 -4.727 6.252 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -14.953 -5.516 7.696 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -14.813 -6.348 6.245 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.790 -5.892 7.416 1.00 0.00 N -ATOM 1366 CA ALA A 81 -7.081 -6.804 8.229 1.00 0.00 C -ATOM 1367 C ALA A 81 -8.040 -7.407 9.214 1.00 0.00 C -ATOM 1368 O ALA A 81 -8.313 -6.830 10.279 1.00 0.00 O -ATOM 1369 CB ALA A 81 -5.911 -6.139 8.927 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.106 -5.045 7.800 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.707 -7.589 7.588 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -5.367 -6.870 9.509 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -6.280 -5.360 9.577 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -5.256 -5.705 8.184 1.00 0.00 H -ATOM 1375 N GLU A 82 -8.620 -8.510 8.829 1.00 0.00 N -ATOM 1376 CA GLU A 82 -9.536 -9.231 9.681 1.00 0.00 C -ATOM 1377 C GLU A 82 -8.708 -9.940 10.740 1.00 0.00 C -ATOM 1378 O GLU A 82 -9.011 -9.910 11.935 1.00 0.00 O -ATOM 1379 CB GLU A 82 -10.421 -10.225 8.867 1.00 0.00 C -ATOM 1380 CG GLU A 82 -9.700 -11.423 8.226 1.00 0.00 C -ATOM 1381 CD GLU A 82 -8.654 -11.041 7.205 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -7.467 -10.821 7.594 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -8.997 -10.940 6.018 1.00 0.00 O -ATOM 1384 H GLU A 82 -8.408 -8.873 7.940 1.00 0.00 H -ATOM 1385 HA GLU A 82 -10.161 -8.505 10.178 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -11.185 -10.619 9.520 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -10.909 -9.667 8.080 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -9.201 -11.954 9.022 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -10.434 -12.064 7.765 1.00 0.00 H -ATOM 1390 N ALA A 83 -7.627 -10.506 10.286 1.00 0.00 N -ATOM 1391 CA ALA A 83 -6.669 -11.130 11.114 1.00 0.00 C -ATOM 1392 C ALA A 83 -5.306 -10.824 10.563 1.00 0.00 C -ATOM 1393 O ALA A 83 -4.555 -10.060 11.164 1.00 0.00 O -ATOM 1394 CB ALA A 83 -6.899 -12.630 11.194 1.00 0.00 C -ATOM 1395 H ALA A 83 -7.485 -10.506 9.308 1.00 0.00 H -ATOM 1396 HA ALA A 83 -6.753 -10.708 12.105 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -7.888 -12.824 11.584 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -6.161 -13.077 11.844 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -6.809 -13.055 10.207 1.00 0.00 H -ATOM 1400 N SER A 84 -4.999 -11.346 9.381 1.00 0.00 N -ATOM 1401 CA SER A 84 -3.675 -11.158 8.818 1.00 0.00 C -ATOM 1402 C SER A 84 -3.652 -11.223 7.277 1.00 0.00 C -ATOM 1403 O SER A 84 -2.580 -11.388 6.712 1.00 0.00 O -ATOM 1404 CB SER A 84 -2.707 -12.222 9.379 1.00 0.00 C -ATOM 1405 OG SER A 84 -2.657 -12.199 10.809 1.00 0.00 O -ATOM 1406 H SER A 84 -5.674 -11.857 8.883 1.00 0.00 H -ATOM 1407 HA SER A 84 -3.318 -10.192 9.138 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -3.035 -13.203 9.065 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -1.715 -12.037 8.993 1.00 0.00 H -ATOM 1410 HG SER A 84 -2.674 -11.278 11.107 1.00 0.00 H -ATOM 1411 N GLU A 85 -4.793 -11.024 6.593 1.00 0.00 N -ATOM 1412 CA GLU A 85 -4.818 -11.140 5.109 1.00 0.00 C -ATOM 1413 C GLU A 85 -3.831 -10.184 4.446 1.00 0.00 C -ATOM 1414 O GLU A 85 -3.093 -10.574 3.528 1.00 0.00 O -ATOM 1415 CB GLU A 85 -6.213 -10.898 4.552 1.00 0.00 C -ATOM 1416 CG GLU A 85 -6.315 -11.084 3.044 1.00 0.00 C -ATOM 1417 CD GLU A 85 -7.722 -10.971 2.533 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -8.171 -9.856 2.216 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -8.407 -12.011 2.419 1.00 0.00 O -ATOM 1420 H GLU A 85 -5.651 -10.832 7.043 1.00 0.00 H -ATOM 1421 HA GLU A 85 -4.517 -12.149 4.868 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -6.899 -11.572 5.040 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -6.502 -9.884 4.789 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -5.714 -10.328 2.560 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -5.927 -12.059 2.792 1.00 0.00 H -ATOM 1426 N VAL A 86 -3.779 -8.957 4.950 1.00 0.00 N -ATOM 1427 CA VAL A 86 -2.864 -7.941 4.428 1.00 0.00 C -ATOM 1428 C VAL A 86 -1.388 -8.335 4.616 1.00 0.00 C -ATOM 1429 O VAL A 86 -0.515 -7.813 3.948 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.125 -6.534 5.039 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -4.508 -6.028 4.652 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -2.968 -6.549 6.559 1.00 0.00 C -ATOM 1433 H VAL A 86 -4.400 -8.729 5.672 1.00 0.00 H -ATOM 1434 HA VAL A 86 -3.047 -7.888 3.364 1.00 0.00 H -ATOM 1435 HB VAL A 86 -2.398 -5.853 4.624 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -4.670 -5.055 5.091 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -5.255 -6.714 5.021 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -4.579 -5.956 3.577 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -1.966 -6.864 6.814 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -3.679 -7.240 6.988 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -3.144 -5.557 6.950 1.00 0.00 H -ATOM 1442 N TYR A 87 -1.129 -9.256 5.527 1.00 0.00 N -ATOM 1443 CA TYR A 87 0.215 -9.739 5.739 1.00 0.00 C -ATOM 1444 C TYR A 87 0.466 -10.952 4.879 1.00 0.00 C -ATOM 1445 O TYR A 87 1.519 -11.077 4.298 1.00 0.00 O -ATOM 1446 CB TYR A 87 0.479 -10.100 7.197 1.00 0.00 C -ATOM 1447 CG TYR A 87 0.496 -8.940 8.158 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 1.638 -8.169 8.312 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 -0.608 -8.634 8.935 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 1.678 -7.124 9.206 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 -0.576 -7.594 9.839 1.00 0.00 C -ATOM 1452 CZ TYR A 87 0.571 -6.841 9.972 1.00 0.00 C -ATOM 1453 OH TYR A 87 0.613 -5.815 10.895 1.00 0.00 O -ATOM 1454 H TYR A 87 -1.866 -9.649 6.041 1.00 0.00 H -ATOM 1455 HA TYR A 87 0.897 -8.957 5.442 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 -0.281 -10.791 7.529 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 1.437 -10.596 7.255 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 2.505 -8.392 7.708 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 -1.504 -9.226 8.825 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 2.579 -6.538 9.302 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 -1.447 -7.370 10.436 1.00 0.00 H -ATOM 1462 HH TYR A 87 0.274 -6.209 11.710 1.00 0.00 H -ATOM 1463 N SER A 88 -0.530 -11.825 4.794 1.00 0.00 N -ATOM 1464 CA SER A 88 -0.439 -13.072 4.047 1.00 0.00 C -ATOM 1465 C SER A 88 -0.080 -12.835 2.581 1.00 0.00 C -ATOM 1466 O SER A 88 0.892 -13.403 2.072 1.00 0.00 O -ATOM 1467 CB SER A 88 -1.767 -13.812 4.153 1.00 0.00 C -ATOM 1468 OG SER A 88 -2.107 -14.028 5.518 1.00 0.00 O -ATOM 1469 H SER A 88 -1.372 -11.641 5.266 1.00 0.00 H -ATOM 1470 HA SER A 88 0.324 -13.683 4.504 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -2.543 -13.221 3.690 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -1.694 -14.766 3.653 1.00 0.00 H -ATOM 1473 HG SER A 88 -1.303 -13.881 6.039 1.00 0.00 H -ATOM 1474 N GLU A 89 -0.821 -11.952 1.938 1.00 0.00 N -ATOM 1475 CA GLU A 89 -0.609 -11.655 0.533 1.00 0.00 C -ATOM 1476 C GLU A 89 0.740 -10.982 0.306 1.00 0.00 C -ATOM 1477 O GLU A 89 1.363 -11.141 -0.748 1.00 0.00 O -ATOM 1478 CB GLU A 89 -1.744 -10.785 0.005 1.00 0.00 C -ATOM 1479 CG GLU A 89 -3.100 -11.464 0.033 1.00 0.00 C -ATOM 1480 CD GLU A 89 -3.117 -12.705 -0.817 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -2.958 -12.593 -2.040 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -3.265 -13.831 -0.280 1.00 0.00 O -ATOM 1483 H GLU A 89 -1.536 -11.479 2.417 1.00 0.00 H -ATOM 1484 HA GLU A 89 -0.615 -12.592 -0.003 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -1.800 -9.888 0.604 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -1.522 -10.510 -1.016 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -3.333 -11.740 1.050 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -3.849 -10.778 -0.334 1.00 0.00 H -ATOM 1489 N ALA A 90 1.198 -10.267 1.306 1.00 0.00 N -ATOM 1490 CA ALA A 90 2.450 -9.567 1.222 1.00 0.00 C -ATOM 1491 C ALA A 90 3.622 -10.508 1.478 1.00 0.00 C -ATOM 1492 O ALA A 90 4.569 -10.551 0.700 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.474 -8.392 2.190 1.00 0.00 C -ATOM 1494 H ALA A 90 0.667 -10.220 2.127 1.00 0.00 H -ATOM 1495 HA ALA A 90 2.536 -9.179 0.218 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 3.394 -7.840 2.058 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 2.415 -8.758 3.204 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 1.632 -7.745 1.988 1.00 0.00 H -ATOM 1499 N VAL A 91 3.536 -11.301 2.539 1.00 0.00 N -ATOM 1500 CA VAL A 91 4.624 -12.191 2.920 1.00 0.00 C -ATOM 1501 C VAL A 91 4.855 -13.268 1.858 1.00 0.00 C -ATOM 1502 O VAL A 91 5.990 -13.605 1.565 1.00 0.00 O -ATOM 1503 CB VAL A 91 4.447 -12.818 4.349 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 3.296 -13.816 4.422 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 5.751 -13.437 4.846 1.00 0.00 C -ATOM 1506 H VAL A 91 2.718 -11.278 3.088 1.00 0.00 H -ATOM 1507 HA VAL A 91 5.511 -11.573 2.925 1.00 0.00 H -ATOM 1508 HB VAL A 91 4.193 -12.006 5.016 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 2.377 -13.317 4.153 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 3.217 -14.204 5.427 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 3.478 -14.628 3.734 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 5.595 -13.877 5.820 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 6.509 -12.671 4.913 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 6.072 -14.197 4.150 1.00 0.00 H -ATOM 1515 N LYS A 92 3.778 -13.725 1.218 1.00 0.00 N -ATOM 1516 CA LYS A 92 3.869 -14.729 0.150 1.00 0.00 C -ATOM 1517 C LYS A 92 4.524 -14.169 -1.107 1.00 0.00 C -ATOM 1518 O LYS A 92 4.822 -14.903 -2.058 1.00 0.00 O -ATOM 1519 CB LYS A 92 2.508 -15.354 -0.177 1.00 0.00 C -ATOM 1520 CG LYS A 92 1.949 -16.262 0.913 1.00 0.00 C -ATOM 1521 CD LYS A 92 2.872 -17.442 1.179 1.00 0.00 C -ATOM 1522 CE LYS A 92 2.263 -18.411 2.168 1.00 0.00 C -ATOM 1523 NZ LYS A 92 3.163 -19.551 2.441 1.00 0.00 N -ATOM 1524 H LYS A 92 2.890 -13.389 1.479 1.00 0.00 H -ATOM 1525 HA LYS A 92 4.524 -15.504 0.521 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 1.797 -14.560 -0.350 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 2.607 -15.933 -1.083 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 1.838 -15.697 1.826 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 0.986 -16.638 0.602 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 3.055 -17.964 0.252 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 3.809 -17.081 1.581 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 2.054 -17.892 3.091 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 1.339 -18.785 1.751 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 4.062 -19.222 2.848 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 3.401 -20.069 1.573 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 2.736 -20.222 3.110 1.00 0.00 H -ATOM 1537 N ARG A 93 4.703 -12.873 -1.143 1.00 0.00 N -ATOM 1538 CA ARG A 93 5.368 -12.244 -2.247 1.00 0.00 C -ATOM 1539 C ARG A 93 6.878 -12.201 -1.987 1.00 0.00 C -ATOM 1540 O ARG A 93 7.679 -12.179 -2.917 1.00 0.00 O -ATOM 1541 CB ARG A 93 4.814 -10.841 -2.460 1.00 0.00 C -ATOM 1542 CG ARG A 93 5.324 -10.150 -3.705 1.00 0.00 C -ATOM 1543 CD ARG A 93 5.003 -10.970 -4.943 1.00 0.00 C -ATOM 1544 NE ARG A 93 5.175 -10.189 -6.146 1.00 0.00 N -ATOM 1545 CZ ARG A 93 4.187 -9.491 -6.701 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 2.936 -9.623 -6.244 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 4.423 -8.686 -7.713 1.00 0.00 N -ATOM 1548 H ARG A 93 4.371 -12.324 -0.399 1.00 0.00 H -ATOM 1549 HA ARG A 93 5.178 -12.837 -3.128 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 3.738 -10.899 -2.525 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 5.073 -10.234 -1.605 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 4.854 -9.182 -3.791 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 6.395 -10.031 -3.630 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 5.673 -11.815 -4.978 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 3.984 -11.321 -4.886 1.00 0.00 H -ATOM 1556 HE ARG A 93 6.089 -10.167 -6.512 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 2.664 -10.231 -5.500 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 2.191 -9.050 -6.625 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 5.330 -8.556 -8.123 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 3.646 -8.137 -8.059 1.00 0.00 H -ATOM 1561 N ILE A 94 7.251 -12.199 -0.725 1.00 0.00 N -ATOM 1562 CA ILE A 94 8.653 -12.172 -0.344 1.00 0.00 C -ATOM 1563 C ILE A 94 9.166 -13.598 -0.122 1.00 0.00 C -ATOM 1564 O ILE A 94 10.279 -13.948 -0.545 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.932 -11.258 0.925 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 8.817 -9.742 0.600 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 10.301 -11.540 1.543 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 7.439 -9.236 0.244 1.00 0.00 C -ATOM 1569 H ILE A 94 6.563 -12.235 -0.027 1.00 0.00 H -ATOM 1570 HA ILE A 94 9.191 -11.765 -1.189 1.00 0.00 H -ATOM 1571 HB ILE A 94 8.187 -11.505 1.668 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 9.146 -9.179 1.462 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 9.478 -9.519 -0.224 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 11.070 -11.346 0.811 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 10.351 -12.573 1.855 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 10.449 -10.899 2.399 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 7.487 -8.176 0.041 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 6.766 -9.417 1.070 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 7.082 -9.757 -0.632 1.00 0.00 H -ATOM 1580 N LEU A 95 8.361 -14.417 0.520 1.00 0.00 N -ATOM 1581 CA LEU A 95 8.712 -15.784 0.779 1.00 0.00 C -ATOM 1582 C LEU A 95 7.422 -16.581 0.960 1.00 0.00 C -ATOM 1583 O LEU A 95 6.908 -16.675 2.088 1.00 0.00 O -ATOM 1584 CB LEU A 95 9.651 -15.875 2.018 1.00 0.00 C -ATOM 1585 CG LEU A 95 10.450 -17.187 2.225 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 11.537 -16.966 3.255 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 9.564 -18.339 2.680 1.00 0.00 C -ATOM 1588 OXT LEU A 95 6.913 -17.110 -0.047 1.00 0.00 O -ATOM 1589 H LEU A 95 7.477 -14.123 0.841 1.00 0.00 H -ATOM 1590 HA LEU A 95 9.224 -16.163 -0.093 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 10.362 -15.066 1.947 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 9.045 -15.710 2.897 1.00 0.00 H -ATOM 1593 HG LEU A 95 10.923 -17.458 1.294 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 11.084 -16.672 4.190 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 12.204 -16.186 2.916 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 12.093 -17.880 3.395 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 10.162 -19.230 2.797 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 8.796 -18.518 1.940 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 9.102 -18.089 3.624 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 16 -ATOM 1 N MET A 1 10.549 14.056 -0.148 1.00 0.00 N -ATOM 2 CA MET A 1 11.078 13.212 -1.219 1.00 0.00 C -ATOM 3 C MET A 1 9.974 12.393 -1.792 1.00 0.00 C -ATOM 4 O MET A 1 9.339 11.616 -1.085 1.00 0.00 O -ATOM 5 CB MET A 1 12.202 12.310 -0.722 1.00 0.00 C -ATOM 6 CG MET A 1 12.716 11.300 -1.747 1.00 0.00 C -ATOM 7 SD MET A 1 13.369 12.075 -3.238 1.00 0.00 S -ATOM 8 CE MET A 1 13.811 10.620 -4.195 1.00 0.00 C -ATOM 9 H MET A 1 11.275 14.613 0.343 1.00 0.00 H -ATOM 10 HA MET A 1 11.455 13.864 -1.992 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.027 12.957 -0.469 1.00 0.00 H -ATOM 12 HB3 MET A 1 11.848 11.780 0.147 1.00 0.00 H -ATOM 13 HG2 MET A 1 13.501 10.713 -1.294 1.00 0.00 H -ATOM 14 HG3 MET A 1 11.901 10.649 -2.025 1.00 0.00 H -ATOM 15 HE1 MET A 1 14.233 10.925 -5.142 1.00 0.00 H -ATOM 16 HE2 MET A 1 12.927 10.026 -4.371 1.00 0.00 H -ATOM 17 HE3 MET A 1 14.537 10.036 -3.649 1.00 0.00 H -ATOM 18 N ALA A 2 9.778 12.540 -3.056 1.00 0.00 N -ATOM 19 CA ALA A 2 8.699 11.884 -3.738 1.00 0.00 C -ATOM 20 C ALA A 2 9.174 10.634 -4.421 1.00 0.00 C -ATOM 21 O ALA A 2 10.319 10.554 -4.884 1.00 0.00 O -ATOM 22 CB ALA A 2 8.040 12.815 -4.740 1.00 0.00 C -ATOM 23 H ALA A 2 10.426 13.091 -3.543 1.00 0.00 H -ATOM 24 HA ALA A 2 7.960 11.614 -2.998 1.00 0.00 H -ATOM 25 HB1 ALA A 2 8.743 13.057 -5.523 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.727 13.721 -4.242 1.00 0.00 H -ATOM 27 HB3 ALA A 2 7.178 12.323 -5.168 1.00 0.00 H -ATOM 28 N TYR A 3 8.312 9.672 -4.470 1.00 0.00 N -ATOM 29 CA TYR A 3 8.574 8.409 -5.112 1.00 0.00 C -ATOM 30 C TYR A 3 7.477 8.186 -6.136 1.00 0.00 C -ATOM 31 O TYR A 3 6.532 8.982 -6.216 1.00 0.00 O -ATOM 32 CB TYR A 3 8.530 7.250 -4.092 1.00 0.00 C -ATOM 33 CG TYR A 3 9.638 7.190 -3.039 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.846 8.226 -2.142 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.449 6.065 -2.931 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.824 8.152 -1.172 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.425 5.977 -1.955 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.609 7.024 -1.081 1.00 0.00 C -ATOM 39 OH TYR A 3 12.574 6.937 -0.095 1.00 0.00 O -ATOM 40 H TYR A 3 7.424 9.813 -4.081 1.00 0.00 H -ATOM 41 HA TYR A 3 9.542 8.440 -5.590 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.596 7.309 -3.554 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.543 6.320 -4.642 1.00 0.00 H -ATOM 44 HD1 TYR A 3 9.230 9.111 -2.212 1.00 0.00 H -ATOM 45 HD2 TYR A 3 10.305 5.246 -3.620 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.957 8.978 -0.490 1.00 0.00 H -ATOM 47 HE2 TYR A 3 12.042 5.096 -1.884 1.00 0.00 H -ATOM 48 HH TYR A 3 13.389 6.573 -0.480 1.00 0.00 H -ATOM 49 N PHE A 4 7.596 7.153 -6.912 1.00 0.00 N -ATOM 50 CA PHE A 4 6.542 6.772 -7.822 1.00 0.00 C -ATOM 51 C PHE A 4 5.576 5.877 -7.063 1.00 0.00 C -ATOM 52 O PHE A 4 5.944 5.315 -6.041 1.00 0.00 O -ATOM 53 CB PHE A 4 7.108 6.022 -9.035 1.00 0.00 C -ATOM 54 CG PHE A 4 8.058 6.825 -9.872 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.582 7.797 -10.733 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.425 6.610 -9.799 1.00 0.00 C -ATOM 57 CE1 PHE A 4 8.448 8.541 -11.506 1.00 0.00 C -ATOM 58 CE2 PHE A 4 10.298 7.349 -10.570 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.809 8.316 -11.427 1.00 0.00 C -ATOM 60 H PHE A 4 8.426 6.626 -6.871 1.00 0.00 H -ATOM 61 HA PHE A 4 6.028 7.665 -8.147 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.656 5.162 -8.680 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.297 5.687 -9.665 1.00 0.00 H -ATOM 64 HD1 PHE A 4 6.518 7.971 -10.794 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.808 5.854 -9.128 1.00 0.00 H -ATOM 66 HE1 PHE A 4 8.059 9.294 -12.173 1.00 0.00 H -ATOM 67 HE2 PHE A 4 11.361 7.172 -10.501 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.488 8.897 -12.034 1.00 0.00 H -ATOM 69 N LEU A 5 4.371 5.745 -7.532 1.00 0.00 N -ATOM 70 CA LEU A 5 3.395 4.903 -6.865 1.00 0.00 C -ATOM 71 C LEU A 5 2.892 3.905 -7.897 1.00 0.00 C -ATOM 72 O LEU A 5 2.470 4.300 -8.989 1.00 0.00 O -ATOM 73 CB LEU A 5 2.224 5.781 -6.315 1.00 0.00 C -ATOM 74 CG LEU A 5 1.292 5.191 -5.201 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.559 3.934 -5.631 1.00 0.00 C -ATOM 76 CD2 LEU A 5 2.058 4.940 -3.915 1.00 0.00 C -ATOM 77 H LEU A 5 4.108 6.201 -8.359 1.00 0.00 H -ATOM 78 HA LEU A 5 3.880 4.379 -6.055 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.653 6.694 -5.931 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.605 6.048 -7.158 1.00 0.00 H -ATOM 81 HG LEU A 5 0.532 5.928 -4.988 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.005 3.550 -4.794 1.00 0.00 H -ATOM 83 HD12 LEU A 5 1.278 3.191 -5.945 1.00 0.00 H -ATOM 84 HD13 LEU A 5 -0.113 4.163 -6.446 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.496 5.862 -3.563 1.00 0.00 H -ATOM 86 HD22 LEU A 5 2.832 4.210 -4.096 1.00 0.00 H -ATOM 87 HD23 LEU A 5 1.382 4.556 -3.167 1.00 0.00 H -ATOM 88 N ASP A 6 2.969 2.639 -7.587 1.00 0.00 N -ATOM 89 CA ASP A 6 2.530 1.612 -8.500 1.00 0.00 C -ATOM 90 C ASP A 6 1.742 0.571 -7.716 1.00 0.00 C -ATOM 91 O ASP A 6 1.790 0.540 -6.476 1.00 0.00 O -ATOM 92 CB ASP A 6 3.739 0.950 -9.169 1.00 0.00 C -ATOM 93 CG ASP A 6 3.440 0.352 -10.541 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.329 -0.161 -10.787 1.00 0.00 O -ATOM 95 OD2 ASP A 6 4.310 0.441 -11.430 1.00 0.00 O -ATOM 96 H ASP A 6 3.328 2.357 -6.713 1.00 0.00 H -ATOM 97 HA ASP A 6 1.900 2.060 -9.254 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.520 1.688 -9.288 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.103 0.162 -8.526 1.00 0.00 H -ATOM 100 N PHE A 7 1.060 -0.279 -8.413 1.00 0.00 N -ATOM 101 CA PHE A 7 0.227 -1.283 -7.809 1.00 0.00 C -ATOM 102 C PHE A 7 0.582 -2.626 -8.387 1.00 0.00 C -ATOM 103 O PHE A 7 0.878 -2.741 -9.590 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.267 -1.019 -8.088 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.829 0.269 -7.538 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -1.788 1.437 -8.285 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.418 0.301 -6.287 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.319 2.611 -7.789 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.954 1.473 -5.787 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.903 2.629 -6.537 1.00 0.00 C -ATOM 111 H PHE A 7 1.166 -0.269 -9.393 1.00 0.00 H -ATOM 112 HA PHE A 7 0.393 -1.281 -6.742 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.417 -1.001 -9.157 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.843 -1.837 -7.677 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.332 1.422 -9.264 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.456 -0.602 -5.697 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.277 3.515 -8.378 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.412 1.482 -4.808 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.323 3.545 -6.147 1.00 0.00 H -ATOM 120 N ASP A 8 0.589 -3.630 -7.563 1.00 0.00 N -ATOM 121 CA ASP A 8 0.778 -4.975 -8.044 1.00 0.00 C -ATOM 122 C ASP A 8 -0.553 -5.466 -8.589 1.00 0.00 C -ATOM 123 O ASP A 8 -1.605 -4.961 -8.187 1.00 0.00 O -ATOM 124 CB ASP A 8 1.279 -5.908 -6.940 1.00 0.00 C -ATOM 125 CG ASP A 8 1.528 -7.307 -7.452 1.00 0.00 C -ATOM 126 OD1 ASP A 8 2.649 -7.596 -7.925 1.00 0.00 O -ATOM 127 OD2 ASP A 8 0.619 -8.147 -7.397 1.00 0.00 O -ATOM 128 H ASP A 8 0.463 -3.478 -6.600 1.00 0.00 H -ATOM 129 HA ASP A 8 1.494 -4.941 -8.853 1.00 0.00 H -ATOM 130 HB2 ASP A 8 2.203 -5.520 -6.537 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.538 -5.957 -6.156 1.00 0.00 H -ATOM 132 N GLU A 9 -0.520 -6.414 -9.505 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.726 -6.946 -10.112 1.00 0.00 C -ATOM 134 C GLU A 9 -2.699 -7.537 -9.082 1.00 0.00 C -ATOM 135 O GLU A 9 -3.904 -7.557 -9.323 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.406 -7.991 -11.161 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.592 -9.151 -10.645 1.00 0.00 C -ATOM 138 CD GLU A 9 -0.585 -10.285 -11.602 1.00 0.00 C -ATOM 139 OE1 GLU A 9 0.107 -10.209 -12.635 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -1.291 -11.265 -11.361 1.00 0.00 O -ATOM 141 H GLU A 9 0.348 -6.784 -9.769 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.223 -6.122 -10.600 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.333 -8.386 -11.550 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.858 -7.527 -11.968 1.00 0.00 H -ATOM 145 HG2 GLU A 9 0.424 -8.825 -10.482 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -1.018 -9.486 -9.710 1.00 0.00 H -ATOM 147 N ARG A 10 -2.185 -8.050 -7.962 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.071 -8.583 -6.926 1.00 0.00 C -ATOM 149 C ARG A 10 -3.823 -7.428 -6.320 1.00 0.00 C -ATOM 150 O ARG A 10 -5.051 -7.435 -6.248 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.312 -9.283 -5.808 1.00 0.00 C -ATOM 152 CG ARG A 10 -1.317 -10.325 -6.245 1.00 0.00 C -ATOM 153 CD ARG A 10 -0.784 -11.078 -5.047 1.00 0.00 C -ATOM 154 NE ARG A 10 -1.734 -12.085 -4.548 1.00 0.00 N -ATOM 155 CZ ARG A 10 -2.435 -12.021 -3.398 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -2.643 -10.852 -2.774 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -3.002 -13.117 -2.920 1.00 0.00 N -ATOM 158 H ARG A 10 -1.206 -8.062 -7.831 1.00 0.00 H -ATOM 159 HA ARG A 10 -3.768 -9.267 -7.387 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.779 -8.534 -5.241 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.029 -9.755 -5.153 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -1.791 -11.021 -6.919 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -0.496 -9.829 -6.742 1.00 0.00 H -ATOM 164 HD2 ARG A 10 0.134 -11.575 -5.322 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -0.581 -10.372 -4.255 1.00 0.00 H -ATOM 166 HE ARG A 10 -1.739 -12.910 -5.084 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -2.314 -9.966 -3.108 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -3.172 -10.824 -1.921 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -2.935 -14.006 -3.380 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -3.500 -13.081 -2.038 1.00 0.00 H -ATOM 171 N ALA A 11 -3.062 -6.397 -5.983 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.571 -5.199 -5.358 1.00 0.00 C -ATOM 173 C ALA A 11 -4.579 -4.495 -6.244 1.00 0.00 C -ATOM 174 O ALA A 11 -5.454 -3.831 -5.755 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.433 -4.262 -4.995 1.00 0.00 C -ATOM 176 H ALA A 11 -2.101 -6.452 -6.164 1.00 0.00 H -ATOM 177 HA ALA A 11 -4.063 -5.494 -4.443 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -2.828 -3.402 -4.474 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.934 -3.935 -5.895 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -1.728 -4.776 -4.358 1.00 0.00 H -ATOM 181 N LEU A 12 -4.462 -4.666 -7.554 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.383 -4.048 -8.484 1.00 0.00 C -ATOM 183 C LEU A 12 -6.739 -4.695 -8.410 1.00 0.00 C -ATOM 184 O LEU A 12 -7.767 -4.021 -8.486 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.849 -4.090 -9.910 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.754 -3.083 -10.251 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.259 -3.305 -11.671 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.291 -1.659 -10.100 1.00 0.00 C -ATOM 189 H LEU A 12 -3.746 -5.242 -7.899 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.491 -3.016 -8.186 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.458 -5.083 -10.082 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.680 -3.937 -10.577 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.923 -3.205 -9.572 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -4.082 -3.183 -12.358 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.858 -4.303 -11.766 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -2.489 -2.584 -11.902 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -4.578 -1.469 -9.077 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -5.161 -1.537 -10.729 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -3.530 -0.953 -10.401 1.00 0.00 H -ATOM 200 N LYS A 13 -6.741 -5.991 -8.226 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.966 -6.742 -8.100 1.00 0.00 C -ATOM 202 C LYS A 13 -8.667 -6.309 -6.819 1.00 0.00 C -ATOM 203 O LYS A 13 -9.871 -6.058 -6.800 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.644 -8.228 -8.035 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.897 -8.760 -9.242 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.475 -10.188 -9.005 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.822 -10.810 -10.235 1.00 0.00 C -ATOM 208 NZ LYS A 13 -4.490 -10.235 -10.523 1.00 0.00 N -ATOM 209 H LYS A 13 -5.887 -6.469 -8.155 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.582 -6.538 -8.963 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -7.032 -8.406 -7.163 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.564 -8.783 -7.934 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.539 -8.719 -10.110 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -6.018 -8.155 -9.410 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.738 -10.123 -8.219 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -7.321 -10.774 -8.681 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -5.712 -11.872 -10.074 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -6.467 -10.650 -11.087 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -3.832 -10.513 -9.767 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -4.542 -9.196 -10.573 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -4.139 -10.607 -11.430 1.00 0.00 H -ATOM 222 N GLU A 14 -7.872 -6.169 -5.787 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.312 -5.753 -4.471 1.00 0.00 C -ATOM 224 C GLU A 14 -8.816 -4.291 -4.493 1.00 0.00 C -ATOM 225 O GLU A 14 -9.861 -3.966 -3.941 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.132 -5.924 -3.519 1.00 0.00 C -ATOM 227 CG GLU A 14 -6.658 -7.368 -3.427 1.00 0.00 C -ATOM 228 CD GLU A 14 -5.351 -7.547 -2.699 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -5.182 -6.964 -1.607 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -4.498 -8.325 -3.184 1.00 0.00 O -ATOM 231 H GLU A 14 -6.920 -6.375 -5.910 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.113 -6.403 -4.152 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.312 -5.315 -3.872 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -7.417 -5.593 -2.532 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -7.406 -7.938 -2.901 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.554 -7.754 -4.429 1.00 0.00 H -ATOM 237 N TRP A 15 -8.081 -3.446 -5.178 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.390 -2.021 -5.337 1.00 0.00 C -ATOM 239 C TRP A 15 -9.716 -1.831 -6.090 1.00 0.00 C -ATOM 240 O TRP A 15 -10.525 -0.960 -5.752 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.224 -1.370 -6.101 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.306 0.101 -6.316 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.740 0.740 -7.436 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.903 1.119 -5.401 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.646 2.095 -7.269 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.131 2.356 -6.027 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.374 1.102 -4.108 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.847 3.563 -5.405 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.093 2.299 -3.493 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.327 3.511 -4.139 1.00 0.00 C -ATOM 251 H TRP A 15 -7.244 -3.776 -5.575 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.473 -1.563 -4.361 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.309 -1.557 -5.560 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.151 -1.847 -7.067 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -8.103 0.234 -8.319 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.909 2.752 -7.953 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.187 0.174 -3.591 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -7.024 4.509 -5.893 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.681 2.308 -2.494 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.089 4.424 -3.612 1.00 0.00 H -ATOM 261 N ARG A 16 -9.924 -2.628 -7.115 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.164 -2.572 -7.873 1.00 0.00 C -ATOM 263 C ARG A 16 -12.309 -3.216 -7.114 1.00 0.00 C -ATOM 264 O ARG A 16 -13.470 -2.897 -7.342 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.997 -3.163 -9.257 1.00 0.00 C -ATOM 266 CG ARG A 16 -10.025 -2.379 -10.106 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.850 -3.003 -11.461 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.879 -2.264 -12.260 1.00 0.00 N -ATOM 269 CZ ARG A 16 -8.587 -2.490 -13.542 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -9.268 -3.408 -14.236 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -7.621 -1.779 -14.131 1.00 0.00 N -ATOM 272 H ARG A 16 -9.216 -3.258 -7.377 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.401 -1.523 -7.972 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.627 -4.173 -9.161 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.953 -3.178 -9.756 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.398 -1.374 -10.229 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -9.069 -2.349 -9.604 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.512 -4.020 -11.327 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -10.805 -3.000 -11.966 1.00 0.00 H -ATOM 280 HE ARG A 16 -8.411 -1.551 -11.766 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -10.005 -3.948 -13.821 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -9.078 -3.571 -15.207 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -7.107 -1.076 -13.628 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -7.350 -1.899 -15.089 1.00 0.00 H -ATOM 285 N LYS A 17 -11.973 -4.125 -6.212 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.951 -4.751 -5.328 1.00 0.00 C -ATOM 287 C LYS A 17 -13.491 -3.691 -4.354 1.00 0.00 C -ATOM 288 O LYS A 17 -14.654 -3.742 -3.919 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.299 -5.903 -4.565 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.238 -6.667 -3.663 1.00 0.00 C -ATOM 291 CD LYS A 17 -12.501 -7.741 -2.903 1.00 0.00 C -ATOM 292 CE LYS A 17 -13.441 -8.522 -2.012 1.00 0.00 C -ATOM 293 NZ LYS A 17 -14.450 -9.282 -2.786 1.00 0.00 N -ATOM 294 H LYS A 17 -11.032 -4.401 -6.148 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.765 -5.124 -5.930 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -11.880 -6.598 -5.278 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.498 -5.502 -3.961 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -13.685 -5.981 -2.958 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -14.011 -7.121 -4.266 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -12.044 -8.419 -3.609 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -11.738 -7.281 -2.293 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -12.864 -9.208 -1.410 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -13.949 -7.816 -1.371 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -15.051 -8.673 -3.378 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -15.065 -9.833 -2.155 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -13.975 -9.962 -3.415 1.00 0.00 H -ATOM 307 N LEU A 18 -12.631 -2.747 -4.013 1.00 0.00 N -ATOM 308 CA LEU A 18 -13.013 -1.597 -3.219 1.00 0.00 C -ATOM 309 C LEU A 18 -14.004 -0.770 -3.977 1.00 0.00 C -ATOM 310 O LEU A 18 -13.874 -0.610 -5.192 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.801 -0.758 -2.825 1.00 0.00 C -ATOM 312 CG LEU A 18 -11.183 -1.057 -1.464 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.951 -2.534 -1.261 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.897 -0.290 -1.307 1.00 0.00 C -ATOM 315 H LEU A 18 -11.702 -2.841 -4.314 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.492 -1.965 -2.325 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -11.040 -0.896 -3.578 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -12.102 0.279 -2.836 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.859 -0.720 -0.697 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -11.919 -3.010 -1.333 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -10.526 -2.705 -0.284 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.300 -2.913 -2.033 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.463 -0.511 -0.344 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -10.125 0.764 -1.368 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.211 -0.564 -2.094 1.00 0.00 H -ATOM 326 N GLY A 19 -14.967 -0.253 -3.252 1.00 0.00 N -ATOM 327 CA GLY A 19 -16.103 0.449 -3.842 1.00 0.00 C -ATOM 328 C GLY A 19 -15.725 1.617 -4.726 1.00 0.00 C -ATOM 329 O GLY A 19 -15.657 1.490 -5.949 1.00 0.00 O -ATOM 330 H GLY A 19 -14.893 -0.361 -2.276 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.684 -0.249 -4.427 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.718 0.816 -3.034 1.00 0.00 H -ATOM 333 N SER A 20 -15.494 2.736 -4.119 1.00 0.00 N -ATOM 334 CA SER A 20 -15.132 3.924 -4.822 1.00 0.00 C -ATOM 335 C SER A 20 -14.552 4.906 -3.823 1.00 0.00 C -ATOM 336 O SER A 20 -13.376 5.225 -3.873 1.00 0.00 O -ATOM 337 CB SER A 20 -16.367 4.522 -5.540 1.00 0.00 C -ATOM 338 OG SER A 20 -16.019 5.641 -6.323 1.00 0.00 O -ATOM 339 H SER A 20 -15.578 2.765 -3.143 1.00 0.00 H -ATOM 340 HA SER A 20 -14.379 3.672 -5.554 1.00 0.00 H -ATOM 341 HB2 SER A 20 -16.805 3.775 -6.185 1.00 0.00 H -ATOM 342 HB3 SER A 20 -17.093 4.824 -4.800 1.00 0.00 H -ATOM 343 HG SER A 20 -16.814 5.966 -6.764 1.00 0.00 H -ATOM 344 N THR A 21 -15.357 5.276 -2.862 1.00 0.00 N -ATOM 345 CA THR A 21 -14.995 6.248 -1.859 1.00 0.00 C -ATOM 346 C THR A 21 -13.814 5.734 -1.017 1.00 0.00 C -ATOM 347 O THR A 21 -12.817 6.427 -0.852 1.00 0.00 O -ATOM 348 CB THR A 21 -16.225 6.539 -0.975 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.381 6.664 -1.840 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.060 7.842 -0.221 1.00 0.00 C -ATOM 351 H THR A 21 -16.251 4.884 -2.816 1.00 0.00 H -ATOM 352 HA THR A 21 -14.693 7.161 -2.350 1.00 0.00 H -ATOM 353 HB THR A 21 -16.366 5.723 -0.282 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.101 7.200 -2.597 1.00 0.00 H -ATOM 355 HG21 THR A 21 -15.166 7.802 0.384 1.00 0.00 H -ATOM 356 HG22 THR A 21 -16.918 7.995 0.417 1.00 0.00 H -ATOM 357 HG23 THR A 21 -15.986 8.658 -0.926 1.00 0.00 H -ATOM 358 N VAL A 22 -13.896 4.474 -0.605 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.864 3.846 0.209 1.00 0.00 C -ATOM 360 C VAL A 22 -11.520 3.858 -0.512 1.00 0.00 C -ATOM 361 O VAL A 22 -10.506 4.272 0.055 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.261 2.386 0.562 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -12.105 1.628 1.176 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.435 2.377 1.519 1.00 0.00 C -ATOM 365 H VAL A 22 -14.688 3.949 -0.849 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.774 4.408 1.128 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.565 1.879 -0.342 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -12.420 0.616 1.390 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -11.797 2.112 2.092 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -11.280 1.606 0.480 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -15.272 2.892 1.074 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -14.157 2.861 2.444 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.709 1.351 1.712 1.00 0.00 H -ATOM 374 N ARG A 23 -11.522 3.463 -1.768 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.292 3.463 -2.525 1.00 0.00 C -ATOM 376 C ARG A 23 -9.799 4.877 -2.790 1.00 0.00 C -ATOM 377 O ARG A 23 -8.609 5.120 -2.801 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.362 2.650 -3.808 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.473 3.030 -4.749 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.197 2.471 -6.110 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.198 2.872 -7.102 1.00 0.00 N -ATOM 382 CZ ARG A 23 -12.743 2.050 -8.017 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.559 0.724 -7.938 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.513 2.554 -8.979 1.00 0.00 N -ATOM 385 H ARG A 23 -12.370 3.187 -2.174 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.559 3.010 -1.869 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.428 2.767 -4.336 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.476 1.608 -3.548 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.374 2.569 -4.367 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.626 4.099 -4.782 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.229 2.861 -6.396 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -11.151 1.394 -6.047 1.00 0.00 H -ATOM 393 HE ARG A 23 -12.414 3.834 -7.114 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -12.027 0.299 -7.201 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -12.944 0.110 -8.634 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -13.701 3.536 -9.038 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -13.918 1.965 -9.684 1.00 0.00 H -ATOM 398 N GLU A 24 -10.718 5.801 -3.000 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.352 7.178 -3.229 1.00 0.00 C -ATOM 400 C GLU A 24 -9.664 7.799 -2.032 1.00 0.00 C -ATOM 401 O GLU A 24 -8.668 8.500 -2.208 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.513 8.018 -3.706 1.00 0.00 C -ATOM 403 CG GLU A 24 -11.915 7.716 -5.132 1.00 0.00 C -ATOM 404 CD GLU A 24 -12.955 8.657 -5.638 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -12.617 9.828 -5.908 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -14.112 8.261 -5.790 1.00 0.00 O -ATOM 407 H GLU A 24 -11.670 5.557 -3.006 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.613 7.145 -4.017 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.361 7.811 -3.067 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.253 9.063 -3.632 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -11.043 7.791 -5.766 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.305 6.709 -5.176 1.00 0.00 H -ATOM 413 N GLN A 25 -10.156 7.536 -0.819 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.455 8.036 0.362 1.00 0.00 C -ATOM 415 C GLN A 25 -8.083 7.430 0.444 1.00 0.00 C -ATOM 416 O GLN A 25 -7.119 8.141 0.648 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.186 7.831 1.696 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.295 8.836 2.016 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.506 8.738 1.137 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -13.439 8.006 1.445 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -12.523 9.488 0.060 1.00 0.00 N -ATOM 422 H GLN A 25 -10.984 7.011 -0.736 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.317 9.095 0.193 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.620 6.842 1.704 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.440 7.894 2.478 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.615 8.689 3.036 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -10.881 9.828 1.921 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -11.750 10.068 -0.098 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -13.293 9.428 -0.544 1.00 0.00 H -ATOM 430 N LEU A 26 -7.995 6.122 0.228 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.717 5.419 0.252 1.00 0.00 C -ATOM 432 C LEU A 26 -5.751 5.988 -0.771 1.00 0.00 C -ATOM 433 O LEU A 26 -4.580 6.198 -0.460 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.905 3.924 0.051 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.594 3.183 1.205 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.826 1.737 0.844 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.755 3.272 2.476 1.00 0.00 C -ATOM 438 H LEU A 26 -8.819 5.616 0.049 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.287 5.585 1.228 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.486 3.803 -0.853 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.932 3.481 -0.109 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.552 3.642 1.400 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -6.878 1.262 0.644 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.449 1.681 -0.036 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.313 1.233 1.666 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -5.769 2.879 2.284 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -7.225 2.681 3.249 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -6.683 4.298 2.805 1.00 0.00 H -ATOM 449 N LYS A 27 -6.248 6.264 -1.974 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.447 6.896 -3.010 1.00 0.00 C -ATOM 451 C LYS A 27 -4.914 8.245 -2.519 1.00 0.00 C -ATOM 452 O LYS A 27 -3.746 8.552 -2.687 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.294 7.138 -4.250 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.535 7.807 -5.387 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.457 8.283 -6.494 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.346 9.430 -6.023 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.235 9.913 -7.098 1.00 0.00 N -ATOM 458 H LYS A 27 -7.174 5.993 -2.181 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.624 6.245 -3.264 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.668 6.187 -4.599 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.130 7.754 -3.961 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.011 8.659 -4.982 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -4.821 7.105 -5.792 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -5.861 8.619 -7.330 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.082 7.458 -6.803 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -7.950 9.096 -5.194 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.709 10.238 -5.687 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -8.853 9.160 -7.462 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -7.683 10.266 -7.903 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -8.841 10.691 -6.769 1.00 0.00 H -ATOM 471 N LYS A 28 -5.777 9.020 -1.881 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.404 10.329 -1.351 1.00 0.00 C -ATOM 473 C LYS A 28 -4.374 10.188 -0.247 1.00 0.00 C -ATOM 474 O LYS A 28 -3.490 11.049 -0.088 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.619 11.086 -0.837 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.643 11.406 -1.892 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.842 12.072 -1.265 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.944 12.289 -2.264 1.00 0.00 C -ATOM 479 NZ LYS A 28 -9.563 13.212 -3.362 1.00 0.00 N -ATOM 480 H LYS A 28 -6.701 8.697 -1.769 1.00 0.00 H -ATOM 481 HA LYS A 28 -4.959 10.888 -2.160 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -7.108 10.490 -0.082 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.294 12.015 -0.394 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.207 12.069 -2.624 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -7.957 10.490 -2.369 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.217 11.432 -0.480 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.544 13.022 -0.849 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -10.184 11.323 -2.681 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.803 12.675 -1.738 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -10.383 13.359 -3.987 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -8.778 12.845 -3.936 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -9.279 14.140 -2.986 1.00 0.00 H -ATOM 493 N LYS A 29 -4.492 9.114 0.527 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.538 8.839 1.590 1.00 0.00 C -ATOM 495 C LYS A 29 -2.179 8.508 0.981 1.00 0.00 C -ATOM 496 O LYS A 29 -1.140 8.832 1.549 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.982 7.705 2.553 1.00 0.00 C -ATOM 498 CG LYS A 29 -5.434 7.747 3.057 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.863 9.106 3.595 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.067 9.544 4.798 1.00 0.00 C -ATOM 501 NZ LYS A 29 -5.254 8.668 5.974 1.00 0.00 N -ATOM 502 H LYS A 29 -5.261 8.520 0.375 1.00 0.00 H -ATOM 503 HA LYS A 29 -3.414 9.756 2.138 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -3.851 6.761 2.052 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -3.329 7.725 3.413 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -6.089 7.496 2.236 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -5.551 7.005 3.834 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -5.735 9.842 2.814 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.908 9.056 3.862 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -4.023 9.558 4.526 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.401 10.540 5.032 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -4.657 9.004 6.759 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -4.990 7.682 5.789 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -6.238 8.684 6.317 1.00 0.00 H -ATOM 515 N LEU A 30 -2.203 7.855 -0.162 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.997 7.558 -0.908 1.00 0.00 C -ATOM 517 C LEU A 30 -0.408 8.846 -1.472 1.00 0.00 C -ATOM 518 O LEU A 30 0.796 9.052 -1.442 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.290 6.577 -2.044 1.00 0.00 C -ATOM 520 CG LEU A 30 -1.879 5.229 -1.631 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.144 4.370 -2.848 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -0.959 4.518 -0.654 1.00 0.00 C -ATOM 523 H LEU A 30 -3.066 7.540 -0.512 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.286 7.109 -0.230 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -1.980 7.053 -2.724 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.368 6.393 -2.575 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.827 5.399 -1.141 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -2.831 4.878 -3.508 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -2.573 3.429 -2.536 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -1.214 4.191 -3.363 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -0.860 5.123 0.235 1.00 0.00 H -ATOM 532 HD22 LEU A 30 0.011 4.374 -1.106 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -1.384 3.561 -0.392 1.00 0.00 H -ATOM 534 N VAL A 31 -1.278 9.719 -1.961 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.864 10.993 -2.530 1.00 0.00 C -ATOM 536 C VAL A 31 -0.142 11.858 -1.486 1.00 0.00 C -ATOM 537 O VAL A 31 0.931 12.392 -1.756 1.00 0.00 O -ATOM 538 CB VAL A 31 -2.081 11.762 -3.137 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -1.691 13.154 -3.608 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -2.657 10.978 -4.294 1.00 0.00 C -ATOM 541 H VAL A 31 -2.230 9.472 -1.956 1.00 0.00 H -ATOM 542 HA VAL A 31 -0.166 10.774 -3.325 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.859 11.857 -2.391 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -2.556 13.651 -4.024 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -0.915 13.081 -4.356 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -1.328 13.716 -2.761 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -2.984 10.019 -3.920 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -1.900 10.838 -5.051 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -3.501 11.509 -4.709 1.00 0.00 H -ATOM 550 N GLU A 32 -0.696 11.944 -0.292 1.00 0.00 N -ATOM 551 CA GLU A 32 -0.059 12.696 0.780 1.00 0.00 C -ATOM 552 C GLU A 32 1.218 12.003 1.262 1.00 0.00 C -ATOM 553 O GLU A 32 2.227 12.653 1.541 1.00 0.00 O -ATOM 554 CB GLU A 32 -1.020 12.937 1.950 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.598 11.675 2.524 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.450 11.882 3.732 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -3.596 12.336 3.596 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -2.000 11.539 4.853 1.00 0.00 O -ATOM 559 H GLU A 32 -1.559 11.498 -0.138 1.00 0.00 H -ATOM 560 HA GLU A 32 0.225 13.650 0.361 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.490 13.455 2.735 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.834 13.555 1.602 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -2.195 11.216 1.752 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.782 11.013 2.776 1.00 0.00 H -ATOM 565 N VAL A 33 1.179 10.679 1.318 1.00 0.00 N -ATOM 566 CA VAL A 33 2.288 9.914 1.828 1.00 0.00 C -ATOM 567 C VAL A 33 3.494 10.031 0.907 1.00 0.00 C -ATOM 568 O VAL A 33 4.590 9.997 1.357 1.00 0.00 O -ATOM 569 CB VAL A 33 1.941 8.429 2.165 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.118 7.475 0.986 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.707 7.967 3.392 1.00 0.00 C -ATOM 572 H VAL A 33 0.378 10.202 1.011 1.00 0.00 H -ATOM 573 HA VAL A 33 2.570 10.418 2.742 1.00 0.00 H -ATOM 574 HB VAL A 33 0.891 8.407 2.412 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.534 7.828 0.149 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.788 6.486 1.267 1.00 0.00 H -ATOM 577 HG13 VAL A 33 3.161 7.440 0.707 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.528 6.916 3.562 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.365 8.528 4.250 1.00 0.00 H -ATOM 580 HG23 VAL A 33 3.760 8.146 3.250 1.00 0.00 H -ATOM 581 N LEU A 34 3.250 10.210 -0.386 1.00 0.00 N -ATOM 582 CA LEU A 34 4.311 10.338 -1.396 1.00 0.00 C -ATOM 583 C LEU A 34 5.339 11.420 -1.086 1.00 0.00 C -ATOM 584 O LEU A 34 6.446 11.350 -1.598 1.00 0.00 O -ATOM 585 CB LEU A 34 3.752 10.547 -2.808 1.00 0.00 C -ATOM 586 CG LEU A 34 3.135 9.328 -3.494 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.578 9.719 -4.853 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.176 8.223 -3.652 1.00 0.00 C -ATOM 589 H LEU A 34 2.314 10.226 -0.680 1.00 0.00 H -ATOM 590 HA LEU A 34 4.855 9.406 -1.394 1.00 0.00 H -ATOM 591 HB2 LEU A 34 2.995 11.314 -2.752 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.555 10.913 -3.430 1.00 0.00 H -ATOM 593 HG LEU A 34 2.323 8.949 -2.890 1.00 0.00 H -ATOM 594 HD11 LEU A 34 3.378 10.101 -5.469 1.00 0.00 H -ATOM 595 HD12 LEU A 34 1.828 10.486 -4.726 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.138 8.855 -5.329 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.500 7.877 -2.681 1.00 0.00 H -ATOM 598 HD22 LEU A 34 5.026 8.615 -4.190 1.00 0.00 H -ATOM 599 HD23 LEU A 34 3.752 7.400 -4.208 1.00 0.00 H -ATOM 600 N GLU A 35 4.982 12.441 -0.297 1.00 0.00 N -ATOM 601 CA GLU A 35 5.974 13.468 0.045 1.00 0.00 C -ATOM 602 C GLU A 35 7.034 12.890 1.011 1.00 0.00 C -ATOM 603 O GLU A 35 8.174 13.362 1.064 1.00 0.00 O -ATOM 604 CB GLU A 35 5.325 14.715 0.657 1.00 0.00 C -ATOM 605 CG GLU A 35 4.654 14.480 1.993 1.00 0.00 C -ATOM 606 CD GLU A 35 4.166 15.745 2.622 1.00 0.00 C -ATOM 607 OE1 GLU A 35 4.955 16.414 3.318 1.00 0.00 O -ATOM 608 OE2 GLU A 35 2.980 16.102 2.450 1.00 0.00 O -ATOM 609 H GLU A 35 4.071 12.488 0.072 1.00 0.00 H -ATOM 610 HA GLU A 35 6.476 13.736 -0.873 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.083 15.472 0.788 1.00 0.00 H -ATOM 612 HB3 GLU A 35 4.583 15.090 -0.033 1.00 0.00 H -ATOM 613 HG2 GLU A 35 3.810 13.821 1.849 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.364 14.010 2.658 1.00 0.00 H -ATOM 615 N SER A 36 6.650 11.863 1.745 1.00 0.00 N -ATOM 616 CA SER A 36 7.511 11.208 2.693 1.00 0.00 C -ATOM 617 C SER A 36 6.940 9.826 3.034 1.00 0.00 C -ATOM 618 O SER A 36 6.304 9.659 4.053 1.00 0.00 O -ATOM 619 CB SER A 36 7.660 12.079 3.959 1.00 0.00 C -ATOM 620 OG SER A 36 6.379 12.417 4.499 1.00 0.00 O -ATOM 621 H SER A 36 5.744 11.496 1.635 1.00 0.00 H -ATOM 622 HA SER A 36 8.482 11.073 2.242 1.00 0.00 H -ATOM 623 HB2 SER A 36 8.220 11.536 4.706 1.00 0.00 H -ATOM 624 HB3 SER A 36 8.180 12.991 3.708 1.00 0.00 H -ATOM 625 HG SER A 36 5.898 11.582 4.571 1.00 0.00 H -ATOM 626 N PRO A 37 7.080 8.827 2.137 1.00 0.00 N -ATOM 627 CA PRO A 37 6.506 7.494 2.369 1.00 0.00 C -ATOM 628 C PRO A 37 7.367 6.653 3.288 1.00 0.00 C -ATOM 629 O PRO A 37 6.989 5.570 3.702 1.00 0.00 O -ATOM 630 CB PRO A 37 6.432 6.889 0.972 1.00 0.00 C -ATOM 631 CG PRO A 37 7.543 7.536 0.225 1.00 0.00 C -ATOM 632 CD PRO A 37 7.721 8.921 0.810 1.00 0.00 C -ATOM 633 HA PRO A 37 5.517 7.558 2.794 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.558 5.819 1.036 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.474 7.118 0.530 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.450 6.961 0.347 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.284 7.607 -0.821 1.00 0.00 H -ATOM 638 HD2 PRO A 37 8.769 9.167 0.902 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.217 9.653 0.196 1.00 0.00 H -ATOM 640 N ARG A 38 8.502 7.187 3.638 1.00 0.00 N -ATOM 641 CA ARG A 38 9.428 6.515 4.500 1.00 0.00 C -ATOM 642 C ARG A 38 9.191 6.874 5.976 1.00 0.00 C -ATOM 643 O ARG A 38 10.116 7.008 6.765 1.00 0.00 O -ATOM 644 CB ARG A 38 10.884 6.719 4.000 1.00 0.00 C -ATOM 645 CG ARG A 38 11.314 8.158 3.659 1.00 0.00 C -ATOM 646 CD ARG A 38 11.568 9.012 4.887 1.00 0.00 C -ATOM 647 NE ARG A 38 12.631 8.456 5.737 1.00 0.00 N -ATOM 648 CZ ARG A 38 12.919 8.884 6.973 1.00 0.00 C -ATOM 649 NH1 ARG A 38 12.270 9.926 7.492 1.00 0.00 N -ATOM 650 NH2 ARG A 38 13.879 8.296 7.673 1.00 0.00 N -ATOM 651 H ARG A 38 8.694 8.083 3.295 1.00 0.00 H -ATOM 652 HA ARG A 38 9.185 5.466 4.409 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.544 6.366 4.777 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.031 6.104 3.125 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.213 8.128 3.064 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.530 8.613 3.071 1.00 0.00 H -ATOM 657 HD2 ARG A 38 11.868 9.995 4.555 1.00 0.00 H -ATOM 658 HD3 ARG A 38 10.656 9.085 5.462 1.00 0.00 H -ATOM 659 HE ARG A 38 13.134 7.703 5.347 1.00 0.00 H -ATOM 660 HH11 ARG A 38 11.558 10.421 6.987 1.00 0.00 H -ATOM 661 HH12 ARG A 38 12.475 10.255 8.420 1.00 0.00 H -ATOM 662 HH21 ARG A 38 14.418 7.525 7.321 1.00 0.00 H -ATOM 663 HH22 ARG A 38 14.103 8.614 8.598 1.00 0.00 H -ATOM 664 N ILE A 39 7.925 6.945 6.345 1.00 0.00 N -ATOM 665 CA ILE A 39 7.536 7.243 7.705 1.00 0.00 C -ATOM 666 C ILE A 39 7.604 5.955 8.510 1.00 0.00 C -ATOM 667 O ILE A 39 6.661 5.145 8.520 1.00 0.00 O -ATOM 668 CB ILE A 39 6.107 7.885 7.776 1.00 0.00 C -ATOM 669 CG1 ILE A 39 6.118 9.231 7.043 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.642 8.071 9.225 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.769 9.920 6.944 1.00 0.00 C -ATOM 672 H ILE A 39 7.236 6.750 5.673 1.00 0.00 H -ATOM 673 HA ILE A 39 8.263 7.935 8.107 1.00 0.00 H -ATOM 674 HB ILE A 39 5.412 7.226 7.278 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.786 9.902 7.561 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.489 9.077 6.039 1.00 0.00 H -ATOM 677 HG21 ILE A 39 4.639 8.470 9.233 1.00 0.00 H -ATOM 678 HG22 ILE A 39 6.299 8.770 9.719 1.00 0.00 H -ATOM 679 HG23 ILE A 39 5.662 7.120 9.738 1.00 0.00 H -ATOM 680 HD11 ILE A 39 4.395 10.146 7.932 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.074 9.275 6.428 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.892 10.835 6.381 1.00 0.00 H -ATOM 683 N GLU A 40 8.759 5.762 9.141 1.00 0.00 N -ATOM 684 CA GLU A 40 9.111 4.563 9.900 1.00 0.00 C -ATOM 685 C GLU A 40 8.111 4.211 11.010 1.00 0.00 C -ATOM 686 O GLU A 40 8.054 3.071 11.462 1.00 0.00 O -ATOM 687 CB GLU A 40 10.555 4.661 10.422 1.00 0.00 C -ATOM 688 CG GLU A 40 10.863 5.931 11.201 1.00 0.00 C -ATOM 689 CD GLU A 40 12.312 6.027 11.614 1.00 0.00 C -ATOM 690 OE1 GLU A 40 13.147 6.506 10.808 1.00 0.00 O -ATOM 691 OE2 GLU A 40 12.641 5.653 12.756 1.00 0.00 O -ATOM 692 H GLU A 40 9.430 6.474 9.068 1.00 0.00 H -ATOM 693 HA GLU A 40 9.082 3.760 9.180 1.00 0.00 H -ATOM 694 HB2 GLU A 40 10.749 3.816 11.066 1.00 0.00 H -ATOM 695 HB3 GLU A 40 11.228 4.613 9.578 1.00 0.00 H -ATOM 696 HG2 GLU A 40 10.628 6.785 10.585 1.00 0.00 H -ATOM 697 HG3 GLU A 40 10.249 5.952 12.090 1.00 0.00 H -ATOM 698 N ALA A 41 7.305 5.174 11.407 1.00 0.00 N -ATOM 699 CA ALA A 41 6.254 4.953 12.387 1.00 0.00 C -ATOM 700 C ALA A 41 5.189 3.989 11.843 1.00 0.00 C -ATOM 701 O ALA A 41 4.625 3.185 12.584 1.00 0.00 O -ATOM 702 CB ALA A 41 5.606 6.277 12.757 1.00 0.00 C -ATOM 703 H ALA A 41 7.454 6.072 11.040 1.00 0.00 H -ATOM 704 HA ALA A 41 6.697 4.529 13.276 1.00 0.00 H -ATOM 705 HB1 ALA A 41 6.362 6.957 13.121 1.00 0.00 H -ATOM 706 HB2 ALA A 41 4.863 6.116 13.524 1.00 0.00 H -ATOM 707 HB3 ALA A 41 5.131 6.702 11.885 1.00 0.00 H -ATOM 708 N ASN A 42 4.961 4.038 10.543 1.00 0.00 N -ATOM 709 CA ASN A 42 3.924 3.216 9.898 1.00 0.00 C -ATOM 710 C ASN A 42 4.540 2.011 9.230 1.00 0.00 C -ATOM 711 O ASN A 42 3.871 1.288 8.484 1.00 0.00 O -ATOM 712 CB ASN A 42 3.158 4.023 8.835 1.00 0.00 C -ATOM 713 CG ASN A 42 2.353 5.175 9.394 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.866 5.130 10.531 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.202 6.215 8.604 1.00 0.00 N -ATOM 716 H ASN A 42 5.516 4.621 9.977 1.00 0.00 H -ATOM 717 HA ASN A 42 3.227 2.889 10.654 1.00 0.00 H -ATOM 718 HB2 ASN A 42 3.868 4.429 8.128 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.489 3.357 8.309 1.00 0.00 H -ATOM 720 HD21 ASN A 42 2.607 6.193 7.712 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.687 6.984 8.932 1.00 0.00 H -ATOM 722 N LYS A 43 5.801 1.796 9.489 1.00 0.00 N -ATOM 723 CA LYS A 43 6.532 0.755 8.901 1.00 0.00 C -ATOM 724 C LYS A 43 6.262 -0.547 9.623 1.00 0.00 C -ATOM 725 O LYS A 43 6.056 -0.563 10.840 1.00 0.00 O -ATOM 726 CB LYS A 43 7.985 1.134 8.985 1.00 0.00 C -ATOM 727 CG LYS A 43 8.841 0.442 8.010 1.00 0.00 C -ATOM 728 CD LYS A 43 10.198 1.105 7.929 1.00 0.00 C -ATOM 729 CE LYS A 43 10.950 0.638 6.712 1.00 0.00 C -ATOM 730 NZ LYS A 43 12.132 1.468 6.438 1.00 0.00 N -ATOM 731 H LYS A 43 6.318 2.350 10.104 1.00 0.00 H -ATOM 732 HA LYS A 43 6.264 0.672 7.859 1.00 0.00 H -ATOM 733 HB2 LYS A 43 8.051 2.193 8.793 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.350 0.931 9.982 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.910 -0.590 8.315 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.315 0.546 7.075 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.067 2.176 7.867 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.765 0.857 8.813 1.00 0.00 H -ATOM 739 HE2 LYS A 43 11.254 -0.390 6.842 1.00 0.00 H -ATOM 740 HE3 LYS A 43 10.274 0.711 5.872 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 12.575 1.157 5.544 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 12.836 1.409 7.200 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 11.864 2.467 6.318 1.00 0.00 H -ATOM 744 N LEU A 44 6.232 -1.612 8.875 1.00 0.00 N -ATOM 745 CA LEU A 44 5.995 -2.920 9.412 1.00 0.00 C -ATOM 746 C LEU A 44 7.268 -3.455 10.029 1.00 0.00 C -ATOM 747 O LEU A 44 8.368 -3.089 9.600 1.00 0.00 O -ATOM 748 CB LEU A 44 5.459 -3.842 8.331 1.00 0.00 C -ATOM 749 CG LEU A 44 4.123 -3.420 7.723 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.663 -4.403 6.682 1.00 0.00 C -ATOM 751 CD2 LEU A 44 3.077 -3.280 8.792 1.00 0.00 C -ATOM 752 H LEU A 44 6.392 -1.511 7.908 1.00 0.00 H -ATOM 753 HA LEU A 44 5.250 -2.818 10.187 1.00 0.00 H -ATOM 754 HB2 LEU A 44 6.187 -3.858 7.535 1.00 0.00 H -ATOM 755 HB3 LEU A 44 5.351 -4.836 8.737 1.00 0.00 H -ATOM 756 HG LEU A 44 4.242 -2.458 7.245 1.00 0.00 H -ATOM 757 HD11 LEU A 44 4.384 -4.463 5.881 1.00 0.00 H -ATOM 758 HD12 LEU A 44 2.711 -4.062 6.302 1.00 0.00 H -ATOM 759 HD13 LEU A 44 3.535 -5.369 7.143 1.00 0.00 H -ATOM 760 HD21 LEU A 44 3.372 -2.515 9.493 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.956 -4.224 9.304 1.00 0.00 H -ATOM 762 HD23 LEU A 44 2.151 -2.994 8.319 1.00 0.00 H -ATOM 763 N ARG A 45 7.115 -4.321 11.007 1.00 0.00 N -ATOM 764 CA ARG A 45 8.216 -4.798 11.830 1.00 0.00 C -ATOM 765 C ARG A 45 9.272 -5.579 11.027 1.00 0.00 C -ATOM 766 O ARG A 45 10.348 -5.053 10.732 1.00 0.00 O -ATOM 767 CB ARG A 45 7.670 -5.651 12.980 1.00 0.00 C -ATOM 768 CG ARG A 45 8.648 -5.891 14.115 1.00 0.00 C -ATOM 769 CD ARG A 45 9.006 -4.584 14.795 1.00 0.00 C -ATOM 770 NE ARG A 45 9.827 -4.765 15.993 1.00 0.00 N -ATOM 771 CZ ARG A 45 10.038 -3.813 16.918 1.00 0.00 C -ATOM 772 NH1 ARG A 45 9.388 -2.652 16.841 1.00 0.00 N -ATOM 773 NH2 ARG A 45 10.863 -4.040 17.936 1.00 0.00 N -ATOM 774 H ARG A 45 6.209 -4.651 11.191 1.00 0.00 H -ATOM 775 HA ARG A 45 8.686 -3.926 12.259 1.00 0.00 H -ATOM 776 HB2 ARG A 45 6.792 -5.169 13.384 1.00 0.00 H -ATOM 777 HB3 ARG A 45 7.383 -6.609 12.573 1.00 0.00 H -ATOM 778 HG2 ARG A 45 8.188 -6.548 14.838 1.00 0.00 H -ATOM 779 HG3 ARG A 45 9.546 -6.343 13.721 1.00 0.00 H -ATOM 780 HD2 ARG A 45 9.565 -3.975 14.101 1.00 0.00 H -ATOM 781 HD3 ARG A 45 8.098 -4.070 15.065 1.00 0.00 H -ATOM 782 HE ARG A 45 10.249 -5.653 16.067 1.00 0.00 H -ATOM 783 HH11 ARG A 45 8.732 -2.465 16.103 1.00 0.00 H -ATOM 784 HH12 ARG A 45 9.528 -1.905 17.499 1.00 0.00 H -ATOM 785 HH21 ARG A 45 11.349 -4.913 18.045 1.00 0.00 H -ATOM 786 HH22 ARG A 45 11.044 -3.348 18.637 1.00 0.00 H -ATOM 787 N GLY A 46 8.955 -6.800 10.642 1.00 0.00 N -ATOM 788 CA GLY A 46 9.921 -7.630 9.949 1.00 0.00 C -ATOM 789 C GLY A 46 9.642 -7.702 8.475 1.00 0.00 C -ATOM 790 O GLY A 46 9.705 -8.770 7.872 1.00 0.00 O -ATOM 791 H GLY A 46 8.056 -7.161 10.800 1.00 0.00 H -ATOM 792 HA2 GLY A 46 10.908 -7.219 10.102 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.887 -8.628 10.363 1.00 0.00 H -ATOM 794 N MET A 47 9.326 -6.578 7.895 1.00 0.00 N -ATOM 795 CA MET A 47 8.991 -6.518 6.491 1.00 0.00 C -ATOM 796 C MET A 47 9.901 -5.508 5.812 1.00 0.00 C -ATOM 797 O MET A 47 9.967 -4.351 6.252 1.00 0.00 O -ATOM 798 CB MET A 47 7.534 -6.099 6.320 1.00 0.00 C -ATOM 799 CG MET A 47 6.515 -7.033 6.969 1.00 0.00 C -ATOM 800 SD MET A 47 6.367 -8.639 6.152 1.00 0.00 S -ATOM 801 CE MET A 47 5.602 -8.152 4.603 1.00 0.00 C -ATOM 802 H MET A 47 9.353 -5.745 8.412 1.00 0.00 H -ATOM 803 HA MET A 47 9.135 -7.499 6.068 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.435 -5.117 6.756 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.315 -6.032 5.264 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.807 -7.200 7.995 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.554 -6.542 6.944 1.00 0.00 H -ATOM 808 HE1 MET A 47 4.650 -7.687 4.809 1.00 0.00 H -ATOM 809 HE2 MET A 47 5.442 -9.029 3.994 1.00 0.00 H -ATOM 810 HE3 MET A 47 6.241 -7.457 4.079 1.00 0.00 H -ATOM 811 N PRO A 48 10.617 -5.924 4.750 1.00 0.00 N -ATOM 812 CA PRO A 48 11.565 -5.062 4.034 1.00 0.00 C -ATOM 813 C PRO A 48 10.902 -3.816 3.439 1.00 0.00 C -ATOM 814 O PRO A 48 10.205 -3.887 2.400 1.00 0.00 O -ATOM 815 CB PRO A 48 12.139 -5.962 2.928 1.00 0.00 C -ATOM 816 CG PRO A 48 11.164 -7.083 2.798 1.00 0.00 C -ATOM 817 CD PRO A 48 10.560 -7.271 4.159 1.00 0.00 C -ATOM 818 HA PRO A 48 12.361 -4.747 4.693 1.00 0.00 H -ATOM 819 HB2 PRO A 48 12.224 -5.398 2.010 1.00 0.00 H -ATOM 820 HB3 PRO A 48 13.115 -6.319 3.225 1.00 0.00 H -ATOM 821 HG2 PRO A 48 10.398 -6.818 2.084 1.00 0.00 H -ATOM 822 HG3 PRO A 48 11.674 -7.982 2.483 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.535 -7.604 4.075 1.00 0.00 H -ATOM 824 HD3 PRO A 48 11.144 -7.971 4.738 1.00 0.00 H -ATOM 825 N ASP A 49 11.052 -2.709 4.168 1.00 0.00 N -ATOM 826 CA ASP A 49 10.544 -1.382 3.793 1.00 0.00 C -ATOM 827 C ASP A 49 9.070 -1.377 3.454 1.00 0.00 C -ATOM 828 O ASP A 49 8.627 -0.659 2.552 1.00 0.00 O -ATOM 829 CB ASP A 49 11.380 -0.716 2.688 1.00 0.00 C -ATOM 830 CG ASP A 49 12.713 -0.215 3.186 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.756 0.816 3.905 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.747 -0.825 2.877 1.00 0.00 O -ATOM 833 H ASP A 49 11.527 -2.809 5.022 1.00 0.00 H -ATOM 834 HA ASP A 49 10.651 -0.791 4.689 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.559 -1.430 1.899 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.829 0.121 2.285 1.00 0.00 H -ATOM 837 N CYS A 50 8.299 -2.132 4.203 1.00 0.00 N -ATOM 838 CA CYS A 50 6.883 -2.170 3.977 1.00 0.00 C -ATOM 839 C CYS A 50 6.196 -1.272 4.994 1.00 0.00 C -ATOM 840 O CYS A 50 6.603 -1.217 6.159 1.00 0.00 O -ATOM 841 CB CYS A 50 6.376 -3.600 4.092 1.00 0.00 C -ATOM 842 SG CYS A 50 7.253 -4.782 3.034 1.00 0.00 S -ATOM 843 H CYS A 50 8.684 -2.667 4.929 1.00 0.00 H -ATOM 844 HA CYS A 50 6.683 -1.798 2.986 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.486 -3.929 5.116 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.331 -3.627 3.822 1.00 0.00 H -ATOM 847 HG CYS A 50 8.392 -4.220 2.645 1.00 0.00 H -ATOM 848 N TYR A 51 5.180 -0.582 4.556 1.00 0.00 N -ATOM 849 CA TYR A 51 4.450 0.357 5.368 1.00 0.00 C -ATOM 850 C TYR A 51 2.974 0.090 5.209 1.00 0.00 C -ATOM 851 O TYR A 51 2.542 -0.505 4.209 1.00 0.00 O -ATOM 852 CB TYR A 51 4.743 1.815 4.941 1.00 0.00 C -ATOM 853 CG TYR A 51 6.195 2.249 5.038 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.127 1.853 4.097 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.624 3.060 6.069 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.440 2.243 4.188 1.00 0.00 C -ATOM 857 CE2 TYR A 51 7.943 3.456 6.157 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.842 3.041 5.212 1.00 0.00 C -ATOM 859 OH TYR A 51 10.171 3.418 5.310 1.00 0.00 O -ATOM 860 H TYR A 51 4.869 -0.709 3.631 1.00 0.00 H -ATOM 861 HA TYR A 51 4.735 0.225 6.401 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.432 1.953 3.917 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.161 2.468 5.576 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.809 1.218 3.284 1.00 0.00 H -ATOM 865 HD2 TYR A 51 5.914 3.385 6.813 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.152 1.921 3.446 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.259 4.092 6.971 1.00 0.00 H -ATOM 868 HH TYR A 51 10.517 3.640 4.435 1.00 0.00 H -ATOM 869 N LYS A 52 2.216 0.513 6.164 1.00 0.00 N -ATOM 870 CA LYS A 52 0.794 0.329 6.159 1.00 0.00 C -ATOM 871 C LYS A 52 0.101 1.662 6.375 1.00 0.00 C -ATOM 872 O LYS A 52 0.605 2.530 7.099 1.00 0.00 O -ATOM 873 CB LYS A 52 0.396 -0.638 7.282 1.00 0.00 C -ATOM 874 CG LYS A 52 0.895 -0.169 8.636 1.00 0.00 C -ATOM 875 CD LYS A 52 0.513 -1.071 9.779 1.00 0.00 C -ATOM 876 CE LYS A 52 1.247 -0.620 11.019 1.00 0.00 C -ATOM 877 NZ LYS A 52 0.851 -1.353 12.225 1.00 0.00 N -ATOM 878 H LYS A 52 2.621 0.985 6.925 1.00 0.00 H -ATOM 879 HA LYS A 52 0.494 -0.096 5.213 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.682 -0.716 7.316 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.820 -1.609 7.079 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.971 -0.082 8.607 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.468 0.809 8.808 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -0.552 -1.005 9.949 1.00 0.00 H -ATOM 885 HD3 LYS A 52 0.787 -2.090 9.555 1.00 0.00 H -ATOM 886 HE2 LYS A 52 2.301 -0.781 10.852 1.00 0.00 H -ATOM 887 HE3 LYS A 52 1.069 0.435 11.144 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 1.118 -2.356 12.176 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 -0.178 -1.299 12.361 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 1.290 -0.932 13.069 1.00 0.00 H -ATOM 891 N ILE A 53 -1.010 1.833 5.735 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.848 2.978 5.957 1.00 0.00 C -ATOM 893 C ILE A 53 -3.235 2.478 6.254 1.00 0.00 C -ATOM 894 O ILE A 53 -3.752 1.615 5.530 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.909 3.958 4.732 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.537 4.589 4.450 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -2.960 5.056 4.959 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.530 5.542 3.269 1.00 0.00 C -ATOM 899 H ILE A 53 -1.299 1.156 5.079 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.461 3.502 6.818 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.217 3.385 3.870 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.236 5.159 5.316 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.187 3.810 4.262 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -2.988 5.708 4.099 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.700 5.631 5.836 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.930 4.603 5.101 1.00 0.00 H -ATOM 907 HD11 ILE A 53 -0.853 5.015 2.384 1.00 0.00 H -ATOM 908 HD12 ILE A 53 0.467 5.928 3.121 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -1.205 6.361 3.464 1.00 0.00 H -ATOM 910 N LYS A 54 -3.821 2.942 7.316 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.180 2.588 7.572 1.00 0.00 C -ATOM 912 C LYS A 54 -6.053 3.782 7.281 1.00 0.00 C -ATOM 913 O LYS A 54 -5.663 4.933 7.554 1.00 0.00 O -ATOM 914 CB LYS A 54 -5.454 1.986 8.983 1.00 0.00 C -ATOM 915 CG LYS A 54 -5.506 2.960 10.143 1.00 0.00 C -ATOM 916 CD LYS A 54 -4.178 3.595 10.436 1.00 0.00 C -ATOM 917 CE LYS A 54 -4.331 4.645 11.487 1.00 0.00 C -ATOM 918 NZ LYS A 54 -4.847 4.090 12.754 1.00 0.00 N -ATOM 919 H LYS A 54 -3.327 3.561 7.896 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.399 1.849 6.824 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -6.409 1.481 8.952 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.688 1.253 9.188 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -6.213 3.740 9.907 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -5.844 2.428 11.020 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -3.475 2.847 10.771 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -3.821 4.065 9.534 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -3.379 5.131 11.634 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -5.050 5.336 11.073 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -4.219 3.350 13.128 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -5.787 3.663 12.633 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -4.935 4.821 13.487 1.00 0.00 H -ATOM 932 N LEU A 55 -7.174 3.539 6.694 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.092 4.584 6.352 1.00 0.00 C -ATOM 934 C LEU A 55 -8.800 4.967 7.644 1.00 0.00 C -ATOM 935 O LEU A 55 -9.074 4.097 8.459 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.105 4.027 5.333 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.669 4.984 4.266 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -10.668 4.258 3.395 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -10.309 6.206 4.871 1.00 0.00 C -ATOM 940 H LEU A 55 -7.427 2.608 6.493 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.562 5.425 5.933 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.633 3.204 4.818 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.936 3.626 5.894 1.00 0.00 H -ATOM 944 HG LEU A 55 -8.857 5.298 3.625 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -10.181 3.423 2.912 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -11.053 4.932 2.644 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -11.481 3.893 4.003 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.112 5.898 5.524 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -10.703 6.835 4.086 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -9.575 6.753 5.443 1.00 0.00 H -ATOM 951 N ARG A 56 -9.021 6.249 7.869 1.00 0.00 N -ATOM 952 CA ARG A 56 -9.744 6.676 9.053 1.00 0.00 C -ATOM 953 C ARG A 56 -11.187 6.189 8.969 1.00 0.00 C -ATOM 954 O ARG A 56 -11.714 5.596 9.905 1.00 0.00 O -ATOM 955 CB ARG A 56 -9.694 8.196 9.200 1.00 0.00 C -ATOM 956 CG ARG A 56 -10.480 8.728 10.382 1.00 0.00 C -ATOM 957 CD ARG A 56 -10.381 10.233 10.468 1.00 0.00 C -ATOM 958 NE ARG A 56 -11.230 10.776 11.533 1.00 0.00 N -ATOM 959 CZ ARG A 56 -11.078 11.981 12.095 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -9.986 12.704 11.852 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -11.984 12.430 12.943 1.00 0.00 N -ATOM 962 H ARG A 56 -8.684 6.924 7.241 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.273 6.215 9.909 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -8.664 8.504 9.311 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -10.093 8.643 8.302 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -11.517 8.448 10.270 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -10.085 8.296 11.290 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -9.353 10.501 10.661 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -10.689 10.655 9.523 1.00 0.00 H -ATOM 970 HE ARG A 56 -11.988 10.197 11.784 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -9.246 12.390 11.249 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -9.833 13.609 12.257 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -12.797 11.893 13.181 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -11.918 13.335 13.372 1.00 0.00 H -ATOM 975 N SER A 57 -11.801 6.427 7.842 1.00 0.00 N -ATOM 976 CA SER A 57 -13.144 6.002 7.595 1.00 0.00 C -ATOM 977 C SER A 57 -13.152 4.481 7.327 1.00 0.00 C -ATOM 978 O SER A 57 -12.433 4.001 6.440 1.00 0.00 O -ATOM 979 CB SER A 57 -13.665 6.775 6.387 1.00 0.00 C -ATOM 980 OG SER A 57 -13.361 8.168 6.533 1.00 0.00 O -ATOM 981 H SER A 57 -11.344 6.908 7.125 1.00 0.00 H -ATOM 982 HA SER A 57 -13.755 6.229 8.456 1.00 0.00 H -ATOM 983 HB2 SER A 57 -13.200 6.403 5.485 1.00 0.00 H -ATOM 984 HB3 SER A 57 -14.736 6.661 6.315 1.00 0.00 H -ATOM 985 HG SER A 57 -13.759 8.472 7.356 1.00 0.00 H -ATOM 986 N SER A 58 -13.945 3.743 8.120 1.00 0.00 N -ATOM 987 CA SER A 58 -14.067 2.290 8.029 1.00 0.00 C -ATOM 988 C SER A 58 -12.768 1.577 8.496 1.00 0.00 C -ATOM 989 O SER A 58 -11.853 2.221 9.023 1.00 0.00 O -ATOM 990 CB SER A 58 -14.496 1.885 6.613 1.00 0.00 C -ATOM 991 OG SER A 58 -15.724 2.528 6.264 1.00 0.00 O -ATOM 992 H SER A 58 -14.468 4.203 8.810 1.00 0.00 H -ATOM 993 HA SER A 58 -14.843 2.006 8.725 1.00 0.00 H -ATOM 994 HB2 SER A 58 -13.734 2.199 5.915 1.00 0.00 H -ATOM 995 HB3 SER A 58 -14.629 0.816 6.563 1.00 0.00 H -ATOM 996 HG SER A 58 -15.790 3.326 6.806 1.00 0.00 H -ATOM 997 N GLY A 59 -12.701 0.267 8.343 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.544 -0.468 8.799 1.00 0.00 C -ATOM 999 C GLY A 59 -10.706 -0.988 7.659 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.237 -2.132 7.693 1.00 0.00 O -ATOM 1001 H GLY A 59 -13.432 -0.232 7.918 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.937 0.188 9.405 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -11.871 -1.302 9.401 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.515 -0.164 6.658 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.735 -0.542 5.496 1.00 0.00 C -ATOM 1006 C TYR A 60 -8.279 -0.166 5.668 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.955 0.919 6.161 1.00 0.00 O -ATOM 1008 CB TYR A 60 -10.309 0.050 4.211 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.604 -0.600 3.765 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.822 -0.214 4.296 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.600 -1.602 2.802 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -14.000 -0.803 3.885 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.773 -2.195 2.385 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.969 -1.791 2.929 1.00 0.00 C -ATOM 1015 OH TYR A 60 -15.138 -2.383 2.516 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.882 0.741 6.719 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.786 -1.619 5.430 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.501 1.101 4.364 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.586 -0.064 3.418 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.839 0.560 5.047 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.659 -1.916 2.375 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.940 -0.486 4.311 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.748 -2.973 1.637 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.790 -1.687 2.359 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.411 -1.073 5.283 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.984 -0.917 5.445 1.00 0.00 C -ATOM 1027 C ARG A 61 -5.275 -1.303 4.158 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.675 -2.255 3.476 1.00 0.00 O -ATOM 1029 CB ARG A 61 -5.513 -1.800 6.601 1.00 0.00 C -ATOM 1030 CG ARG A 61 -6.221 -1.474 7.902 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.032 -2.536 8.940 1.00 0.00 C -ATOM 1032 NE ARG A 61 -4.654 -2.629 9.454 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -4.324 -2.711 10.762 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -5.257 -2.586 11.697 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -3.052 -2.884 11.113 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.745 -1.888 4.844 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.772 0.113 5.682 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.706 -2.833 6.350 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -4.452 -1.661 6.744 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -5.826 -0.546 8.288 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -7.276 -1.357 7.700 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -6.732 -2.364 9.740 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.284 -3.458 8.437 1.00 0.00 H -ATOM 1044 HE ARG A 61 -3.933 -2.668 8.784 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -6.227 -2.425 11.488 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -5.030 -2.648 12.674 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -2.322 -2.952 10.424 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -2.762 -2.963 12.073 1.00 0.00 H -ATOM 1049 N LEU A 62 -4.248 -0.574 3.839 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.480 -0.778 2.633 1.00 0.00 C -ATOM 1051 C LEU A 62 -2.016 -0.995 3.022 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.510 -0.321 3.928 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.681 0.465 1.717 1.00 0.00 C -ATOM 1054 CG LEU A 62 -3.042 0.476 0.309 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.710 1.534 -0.547 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.561 0.788 0.380 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.969 0.157 4.436 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.853 -1.659 2.133 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.743 0.610 1.592 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.304 1.321 2.257 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.173 -0.488 -0.160 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.582 2.506 -0.096 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -4.763 1.309 -0.631 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.264 1.530 -1.531 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.432 1.739 0.876 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.155 0.844 -0.619 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.053 0.015 0.938 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.357 -1.945 2.375 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.041 -2.252 2.662 1.00 0.00 C -ATOM 1070 C VAL A 63 0.871 -2.137 1.386 1.00 0.00 C -ATOM 1071 O VAL A 63 0.518 -2.714 0.337 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.210 -3.677 3.266 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.671 -3.966 3.613 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.659 -3.842 4.498 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.800 -2.461 1.662 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.400 -1.523 3.374 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.106 -4.398 2.527 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.016 -3.243 4.340 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.278 -3.898 2.722 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 1.760 -4.958 4.029 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.532 -4.834 4.904 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -1.693 -3.687 4.234 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -0.361 -3.111 5.237 1.00 0.00 H -ATOM 1084 N TYR A 64 1.954 -1.407 1.470 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.825 -1.175 0.341 1.00 0.00 C -ATOM 1086 C TYR A 64 4.265 -1.253 0.772 1.00 0.00 C -ATOM 1087 O TYR A 64 4.558 -1.136 1.951 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.545 0.193 -0.317 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.696 1.415 0.586 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 3.947 1.900 0.962 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.587 2.087 1.036 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.069 3.011 1.761 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.699 3.196 1.831 1.00 0.00 C -ATOM 1094 CZ TYR A 64 2.942 3.657 2.193 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.053 4.764 2.995 1.00 0.00 O -ATOM 1096 H TYR A 64 2.208 -1.020 2.341 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.638 -1.953 -0.384 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.219 0.324 -1.150 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.533 0.186 -0.693 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.833 1.386 0.617 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.612 1.724 0.752 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.049 3.371 2.041 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.804 3.700 2.159 1.00 0.00 H -ATOM 1104 HH TYR A 64 2.430 4.681 3.722 1.00 0.00 H -ATOM 1105 N GLN A 65 5.147 -1.479 -0.150 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.548 -1.448 0.157 1.00 0.00 C -ATOM 1107 C GLN A 65 7.215 -0.385 -0.673 1.00 0.00 C -ATOM 1108 O GLN A 65 6.889 -0.212 -1.861 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.226 -2.812 -0.021 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.236 -3.364 -1.444 1.00 0.00 C -ATOM 1111 CD GLN A 65 7.979 -4.691 -1.562 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.651 -5.524 -2.404 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 8.993 -4.896 -0.735 1.00 0.00 N -ATOM 1114 H GLN A 65 4.854 -1.644 -1.075 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.634 -1.138 1.187 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.248 -2.733 0.314 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.708 -3.518 0.610 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.217 -3.516 -1.768 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.711 -2.645 -2.095 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.240 -4.208 -0.082 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.460 -5.757 -0.809 1.00 0.00 H -ATOM 1122 N VAL A 66 8.101 0.355 -0.071 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.780 1.382 -0.793 1.00 0.00 C -ATOM 1124 C VAL A 66 10.103 0.840 -1.279 1.00 0.00 C -ATOM 1125 O VAL A 66 10.919 0.319 -0.505 1.00 0.00 O -ATOM 1126 CB VAL A 66 8.964 2.724 0.018 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 7.647 3.200 0.600 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 10.022 2.630 1.103 1.00 0.00 C -ATOM 1129 H VAL A 66 8.329 0.176 0.870 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.180 1.580 -1.669 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.269 3.474 -0.698 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 6.932 3.380 -0.187 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 7.812 4.112 1.155 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 7.262 2.445 1.269 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 10.994 2.507 0.650 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 9.813 1.750 1.689 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 10.006 3.512 1.725 1.00 0.00 H -ATOM 1138 N ILE A 67 10.290 0.863 -2.547 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.510 0.415 -3.094 1.00 0.00 C -ATOM 1140 C ILE A 67 12.338 1.640 -3.375 1.00 0.00 C -ATOM 1141 O ILE A 67 12.173 2.282 -4.408 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.307 -0.385 -4.401 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.215 -1.444 -4.219 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.619 -1.056 -4.791 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.857 -2.173 -5.492 1.00 0.00 C -ATOM 1146 H ILE A 67 9.593 1.203 -3.154 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.008 -0.205 -2.362 1.00 0.00 H -ATOM 1148 HB ILE A 67 11.016 0.300 -5.183 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.555 -2.177 -3.503 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.321 -0.966 -3.845 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 12.480 -1.619 -5.702 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 12.932 -1.722 -4.002 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.370 -0.298 -4.946 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 10.732 -2.680 -5.868 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.526 -1.450 -6.226 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 9.072 -2.888 -5.300 1.00 0.00 H -ATOM 1157 N ASP A 68 13.198 1.979 -2.446 1.00 0.00 N -ATOM 1158 CA ASP A 68 14.049 3.171 -2.543 1.00 0.00 C -ATOM 1159 C ASP A 68 15.057 2.969 -3.653 1.00 0.00 C -ATOM 1160 O ASP A 68 15.461 3.906 -4.335 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.756 3.418 -1.205 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.489 4.743 -1.140 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 16.684 4.806 -1.488 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 14.892 5.739 -0.688 1.00 0.00 O -ATOM 1165 H ASP A 68 13.259 1.411 -1.647 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.429 4.020 -2.790 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 14.024 3.405 -0.411 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.470 2.624 -1.039 1.00 0.00 H -ATOM 1169 N GLU A 69 15.382 1.701 -3.868 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.294 1.253 -4.917 1.00 0.00 C -ATOM 1171 C GLU A 69 15.775 1.701 -6.288 1.00 0.00 C -ATOM 1172 O GLU A 69 16.535 2.089 -7.166 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.337 -0.276 -4.920 1.00 0.00 C -ATOM 1174 CG GLU A 69 16.579 -0.914 -3.563 1.00 0.00 C -ATOM 1175 CD GLU A 69 16.468 -2.410 -3.623 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 15.336 -2.927 -3.715 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 17.495 -3.101 -3.605 1.00 0.00 O -ATOM 1178 H GLU A 69 14.994 1.037 -3.261 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.286 1.635 -4.734 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.397 -0.646 -5.299 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.123 -0.595 -5.588 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 17.573 -0.663 -3.226 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 15.852 -0.541 -2.858 1.00 0.00 H -ATOM 1184 N LYS A 70 14.466 1.635 -6.452 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.831 1.957 -7.713 1.00 0.00 C -ATOM 1186 C LYS A 70 13.078 3.292 -7.642 1.00 0.00 C -ATOM 1187 O LYS A 70 12.543 3.763 -8.647 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.871 0.839 -8.108 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.516 -0.519 -8.323 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.456 -1.570 -8.618 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.055 -2.954 -8.774 1.00 0.00 C -ATOM 1192 NZ LYS A 70 12.017 -3.974 -9.034 1.00 0.00 N -ATOM 1193 H LYS A 70 13.908 1.371 -5.691 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.602 2.021 -8.464 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.164 0.718 -7.300 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.347 1.120 -9.009 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.199 -0.456 -9.157 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.055 -0.797 -7.429 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 11.737 -1.590 -7.813 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 11.955 -1.299 -9.536 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 13.756 -2.943 -9.594 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 13.576 -3.207 -7.863 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 11.458 -3.730 -9.875 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 11.377 -4.097 -8.226 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 12.454 -4.900 -9.214 1.00 0.00 H -ATOM 1206 N VAL A 71 13.048 3.890 -6.446 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.336 5.161 -6.167 1.00 0.00 C -ATOM 1208 C VAL A 71 10.798 4.978 -6.422 1.00 0.00 C -ATOM 1209 O VAL A 71 10.066 5.914 -6.708 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.936 6.368 -7.011 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 12.369 7.725 -6.571 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.458 6.398 -6.914 1.00 0.00 C -ATOM 1213 H VAL A 71 13.526 3.468 -5.701 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.466 5.356 -5.111 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.667 6.214 -8.046 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 11.299 7.729 -6.710 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.811 8.516 -7.159 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.593 7.891 -5.527 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.845 7.219 -7.498 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.863 5.467 -7.286 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.749 6.523 -5.881 1.00 0.00 H -ATOM 1222 N VAL A 72 10.311 3.770 -6.231 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.908 3.477 -6.480 1.00 0.00 C -ATOM 1224 C VAL A 72 8.284 2.727 -5.307 1.00 0.00 C -ATOM 1225 O VAL A 72 8.922 1.897 -4.670 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.699 2.695 -7.828 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.465 1.398 -7.841 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.220 2.445 -8.126 1.00 0.00 C -ATOM 1229 H VAL A 72 10.890 3.063 -5.872 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.407 4.431 -6.559 1.00 0.00 H -ATOM 1231 HB VAL A 72 9.106 3.302 -8.623 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 9.121 0.766 -7.035 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 10.511 1.627 -7.707 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 9.324 0.901 -8.789 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 7.124 1.905 -9.056 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.690 3.384 -8.195 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.791 1.855 -7.329 1.00 0.00 H -ATOM 1238 N VAL A 73 7.072 3.068 -5.012 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.300 2.466 -3.970 1.00 0.00 C -ATOM 1240 C VAL A 73 5.305 1.493 -4.601 1.00 0.00 C -ATOM 1241 O VAL A 73 4.496 1.890 -5.437 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.518 3.559 -3.196 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.681 2.965 -2.094 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.457 4.624 -2.648 1.00 0.00 C -ATOM 1245 H VAL A 73 6.636 3.780 -5.529 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.955 1.948 -3.288 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.852 4.034 -3.900 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 5.317 2.440 -1.398 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 3.966 2.276 -2.520 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 4.152 3.753 -1.577 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 5.894 5.346 -2.075 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 6.937 5.126 -3.476 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 7.212 4.167 -2.026 1.00 0.00 H -ATOM 1254 N PHE A 74 5.379 0.245 -4.226 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.477 -0.763 -4.748 1.00 0.00 C -ATOM 1256 C PHE A 74 3.477 -1.196 -3.721 1.00 0.00 C -ATOM 1257 O PHE A 74 3.851 -1.678 -2.646 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.220 -1.993 -5.271 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.633 -1.910 -6.705 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 6.823 -1.327 -7.073 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 4.815 -2.437 -7.690 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 7.196 -1.269 -8.400 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 5.183 -2.382 -9.014 1.00 0.00 C -ATOM 1264 CZ PHE A 74 6.375 -1.797 -9.370 1.00 0.00 C -ATOM 1265 H PHE A 74 6.042 -0.011 -3.544 1.00 0.00 H -ATOM 1266 HA PHE A 74 3.945 -0.317 -5.576 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.115 -2.138 -4.683 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 4.583 -2.856 -5.154 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 7.466 -0.913 -6.310 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 3.879 -2.896 -7.411 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 8.132 -0.810 -8.678 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.535 -2.797 -9.772 1.00 0.00 H -ATOM 1273 HZ PHE A 74 6.666 -1.751 -10.409 1.00 0.00 H -ATOM 1274 N VAL A 75 2.218 -1.012 -4.035 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.146 -1.491 -3.194 1.00 0.00 C -ATOM 1276 C VAL A 75 1.046 -3.001 -3.372 1.00 0.00 C -ATOM 1277 O VAL A 75 0.914 -3.492 -4.505 1.00 0.00 O -ATOM 1278 CB VAL A 75 -0.208 -0.810 -3.535 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.336 -1.344 -2.654 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 -0.093 0.701 -3.394 1.00 0.00 C -ATOM 1281 H VAL A 75 2.005 -0.532 -4.867 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.415 -1.283 -2.168 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.451 -1.038 -4.562 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.099 -1.160 -1.617 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -1.448 -2.406 -2.814 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -2.260 -0.845 -2.904 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 -1.041 1.161 -3.629 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 0.663 1.069 -4.073 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.187 0.949 -2.381 1.00 0.00 H -ATOM 1290 N ILE A 76 1.139 -3.722 -2.275 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.174 -5.169 -2.318 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.224 -5.750 -2.148 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.611 -6.682 -2.858 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.089 -5.736 -1.193 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.492 -5.111 -1.259 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.183 -7.255 -1.298 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.413 -5.556 -0.132 1.00 0.00 C -ATOM 1298 H ILE A 76 1.167 -3.270 -1.403 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.580 -5.475 -3.270 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.641 -5.492 -0.239 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 3.958 -5.389 -2.192 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.402 -4.036 -1.212 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 2.534 -7.519 -2.283 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 1.213 -7.696 -1.123 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 2.888 -7.615 -0.563 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 5.377 -5.085 -0.252 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.528 -6.629 -0.161 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 3.986 -5.263 0.817 1.00 0.00 H -ATOM 1309 N SER A 77 -0.977 -5.185 -1.230 1.00 0.00 N -ATOM 1310 CA SER A 77 -2.294 -5.668 -0.931 1.00 0.00 C -ATOM 1311 C SER A 77 -3.095 -4.521 -0.338 1.00 0.00 C -ATOM 1312 O SER A 77 -2.516 -3.600 0.279 1.00 0.00 O -ATOM 1313 CB SER A 77 -2.203 -6.853 0.063 1.00 0.00 C -ATOM 1314 OG SER A 77 -3.466 -7.469 0.286 1.00 0.00 O -ATOM 1315 H SER A 77 -0.666 -4.403 -0.723 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.760 -6.002 -1.847 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.529 -7.597 -0.336 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -1.818 -6.494 1.006 1.00 0.00 H -ATOM 1319 HG SER A 77 -3.993 -7.345 -0.528 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.387 -4.548 -0.540 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.254 -3.512 -0.059 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.639 -4.078 0.266 1.00 0.00 C -ATOM 1323 O VAL A 78 -7.203 -4.868 -0.497 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.343 -2.322 -1.081 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.782 -2.780 -2.461 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.255 -1.221 -0.575 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.793 -5.316 -1.014 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.822 -3.144 0.859 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.348 -1.913 -1.185 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -5.078 -3.506 -2.840 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.822 -1.935 -3.130 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -6.761 -3.232 -2.394 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -6.284 -0.420 -1.300 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -5.873 -0.844 0.362 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -7.250 -1.614 -0.428 1.00 0.00 H -ATOM 1336 N GLY A 79 -7.158 -3.729 1.413 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.464 -4.162 1.755 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.685 -4.033 3.206 1.00 0.00 C -ATOM 1339 O GLY A 79 -8.711 -2.931 3.738 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.657 -3.195 2.074 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -9.188 -3.557 1.228 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.586 -5.195 1.469 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.796 -5.127 3.870 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.026 -5.114 5.282 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.090 -6.072 5.946 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.579 -7.006 5.311 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.455 -5.531 5.608 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.551 -4.627 5.060 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.923 -5.159 5.437 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.220 -6.494 4.764 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -14.430 -7.121 5.309 1.00 0.00 N -ATOM 1352 H LYS A 80 -8.699 -5.991 3.407 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.859 -4.116 5.659 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.602 -6.523 5.213 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.555 -5.574 6.683 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.430 -3.636 5.475 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.468 -4.584 3.984 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -12.954 -5.303 6.506 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.675 -4.440 5.147 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -13.360 -6.332 3.706 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -12.391 -7.170 4.907 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -15.241 -6.472 5.264 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -14.238 -7.421 6.292 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -14.657 -7.973 4.758 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.861 -5.869 7.199 1.00 0.00 N -ATOM 1366 CA ALA A 81 -7.077 -6.778 7.935 1.00 0.00 C -ATOM 1367 C ALA A 81 -8.001 -7.826 8.503 1.00 0.00 C -ATOM 1368 O ALA A 81 -8.093 -8.913 7.938 1.00 0.00 O -ATOM 1369 CB ALA A 81 -6.269 -6.074 9.015 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.263 -5.098 7.657 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.403 -7.260 7.243 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -5.680 -6.797 9.558 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -6.932 -5.559 9.694 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -5.610 -5.360 8.546 1.00 0.00 H -ATOM 1375 N GLU A 82 -8.703 -7.459 9.598 1.00 0.00 N -ATOM 1376 CA GLU A 82 -9.711 -8.258 10.369 1.00 0.00 C -ATOM 1377 C GLU A 82 -9.157 -9.577 10.925 1.00 0.00 C -ATOM 1378 O GLU A 82 -9.383 -9.939 12.078 1.00 0.00 O -ATOM 1379 CB GLU A 82 -11.025 -8.459 9.581 1.00 0.00 C -ATOM 1380 CG GLU A 82 -11.628 -7.142 9.102 1.00 0.00 C -ATOM 1381 CD GLU A 82 -13.062 -7.234 8.625 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -13.347 -7.921 7.632 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -13.941 -6.592 9.244 1.00 0.00 O -ATOM 1384 H GLU A 82 -8.541 -6.559 9.938 1.00 0.00 H -ATOM 1385 HA GLU A 82 -9.928 -7.654 11.239 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -10.825 -9.082 8.721 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -11.745 -8.953 10.217 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -11.600 -6.447 9.926 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -11.015 -6.759 8.300 1.00 0.00 H -ATOM 1390 N ALA A 83 -8.455 -10.253 10.097 1.00 0.00 N -ATOM 1391 CA ALA A 83 -7.789 -11.471 10.376 1.00 0.00 C -ATOM 1392 C ALA A 83 -6.337 -11.299 9.947 1.00 0.00 C -ATOM 1393 O ALA A 83 -5.608 -12.265 9.762 1.00 0.00 O -ATOM 1394 CB ALA A 83 -8.448 -12.536 9.552 1.00 0.00 C -ATOM 1395 H ALA A 83 -8.388 -9.899 9.181 1.00 0.00 H -ATOM 1396 HA ALA A 83 -7.869 -11.719 11.424 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -7.921 -13.472 9.648 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -8.435 -12.185 8.530 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -9.473 -12.630 9.879 1.00 0.00 H -ATOM 1400 N SER A 84 -5.948 -10.027 9.798 1.00 0.00 N -ATOM 1401 CA SER A 84 -4.620 -9.617 9.344 1.00 0.00 C -ATOM 1402 C SER A 84 -4.332 -10.129 7.916 1.00 0.00 C -ATOM 1403 O SER A 84 -3.176 -10.288 7.518 1.00 0.00 O -ATOM 1404 CB SER A 84 -3.566 -10.077 10.361 1.00 0.00 C -ATOM 1405 OG SER A 84 -3.877 -9.556 11.658 1.00 0.00 O -ATOM 1406 H SER A 84 -6.589 -9.336 10.064 1.00 0.00 H -ATOM 1407 HA SER A 84 -4.620 -8.538 9.305 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -3.553 -11.155 10.401 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -2.597 -9.709 10.061 1.00 0.00 H -ATOM 1410 HG SER A 84 -3.276 -9.987 12.279 1.00 0.00 H -ATOM 1411 N GLU A 85 -5.402 -10.235 7.118 1.00 0.00 N -ATOM 1412 CA GLU A 85 -5.347 -10.797 5.768 1.00 0.00 C -ATOM 1413 C GLU A 85 -4.369 -10.060 4.852 1.00 0.00 C -ATOM 1414 O GLU A 85 -3.504 -10.685 4.262 1.00 0.00 O -ATOM 1415 CB GLU A 85 -6.744 -10.832 5.161 1.00 0.00 C -ATOM 1416 CG GLU A 85 -6.794 -11.317 3.725 1.00 0.00 C -ATOM 1417 CD GLU A 85 -8.194 -11.425 3.207 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -8.812 -10.390 2.898 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -8.721 -12.561 3.111 1.00 0.00 O -ATOM 1420 H GLU A 85 -6.273 -9.936 7.458 1.00 0.00 H -ATOM 1421 HA GLU A 85 -4.998 -11.815 5.861 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -7.366 -11.481 5.759 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -7.149 -9.830 5.194 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -6.253 -10.616 3.106 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -6.320 -12.284 3.665 1.00 0.00 H -ATOM 1426 N VAL A 86 -4.476 -8.737 4.768 1.00 0.00 N -ATOM 1427 CA VAL A 86 -3.569 -7.948 3.907 1.00 0.00 C -ATOM 1428 C VAL A 86 -2.083 -8.119 4.281 1.00 0.00 C -ATOM 1429 O VAL A 86 -1.201 -7.977 3.441 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.939 -6.435 3.854 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -5.264 -6.235 3.149 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -3.997 -5.825 5.250 1.00 0.00 C -ATOM 1433 H VAL A 86 -5.196 -8.287 5.255 1.00 0.00 H -ATOM 1434 HA VAL A 86 -3.686 -8.357 2.912 1.00 0.00 H -ATOM 1435 HB VAL A 86 -3.177 -5.922 3.287 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -5.190 -6.591 2.131 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -5.514 -5.185 3.144 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -6.033 -6.787 3.668 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -4.260 -4.780 5.176 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -3.031 -5.922 5.725 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -4.740 -6.343 5.838 1.00 0.00 H -ATOM 1442 N TYR A 87 -1.817 -8.475 5.524 1.00 0.00 N -ATOM 1443 CA TYR A 87 -0.450 -8.650 5.975 1.00 0.00 C -ATOM 1444 C TYR A 87 0.026 -10.044 5.633 1.00 0.00 C -ATOM 1445 O TYR A 87 1.217 -10.266 5.391 1.00 0.00 O -ATOM 1446 CB TYR A 87 -0.317 -8.342 7.470 1.00 0.00 C -ATOM 1447 CG TYR A 87 -0.747 -6.933 7.798 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 0.117 -5.871 7.612 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 -2.032 -6.662 8.249 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 -0.285 -4.580 7.856 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 -2.435 -5.369 8.505 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -1.556 -4.334 8.302 1.00 0.00 C -ATOM 1453 OH TYR A 87 -1.965 -3.031 8.512 1.00 0.00 O -ATOM 1454 H TYR A 87 -2.556 -8.658 6.141 1.00 0.00 H -ATOM 1455 HA TYR A 87 0.151 -7.950 5.412 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 -0.934 -9.026 8.028 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 0.713 -8.459 7.775 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 1.120 -6.063 7.262 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 -2.718 -7.481 8.408 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 0.402 -3.761 7.705 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 -3.435 -5.172 8.858 1.00 0.00 H -ATOM 1462 HH TYR A 87 -1.573 -2.504 7.806 1.00 0.00 H -ATOM 1463 N SER A 88 -0.912 -10.970 5.574 1.00 0.00 N -ATOM 1464 CA SER A 88 -0.639 -12.314 5.148 1.00 0.00 C -ATOM 1465 C SER A 88 -0.327 -12.301 3.651 1.00 0.00 C -ATOM 1466 O SER A 88 0.650 -12.890 3.211 1.00 0.00 O -ATOM 1467 CB SER A 88 -1.845 -13.202 5.446 1.00 0.00 C -ATOM 1468 OG SER A 88 -2.180 -13.150 6.830 1.00 0.00 O -ATOM 1469 H SER A 88 -1.834 -10.752 5.831 1.00 0.00 H -ATOM 1470 HA SER A 88 0.222 -12.684 5.683 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -2.689 -12.848 4.873 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -1.622 -14.224 5.178 1.00 0.00 H -ATOM 1473 HG SER A 88 -1.430 -13.539 7.297 1.00 0.00 H -ATOM 1474 N GLU A 89 -1.126 -11.547 2.894 1.00 0.00 N -ATOM 1475 CA GLU A 89 -0.937 -11.408 1.449 1.00 0.00 C -ATOM 1476 C GLU A 89 0.431 -10.790 1.160 1.00 0.00 C -ATOM 1477 O GLU A 89 1.112 -11.160 0.192 1.00 0.00 O -ATOM 1478 CB GLU A 89 -2.028 -10.516 0.851 1.00 0.00 C -ATOM 1479 CG GLU A 89 -3.452 -10.975 1.132 1.00 0.00 C -ATOM 1480 CD GLU A 89 -3.742 -12.344 0.599 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -4.025 -12.466 -0.592 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -3.709 -13.320 1.370 1.00 0.00 O -ATOM 1483 H GLU A 89 -1.887 -11.090 3.319 1.00 0.00 H -ATOM 1484 HA GLU A 89 -0.988 -12.386 0.997 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -1.914 -9.521 1.256 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -1.892 -10.469 -0.219 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -3.607 -10.992 2.201 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -4.139 -10.272 0.683 1.00 0.00 H -ATOM 1489 N ALA A 90 0.829 -9.865 2.022 1.00 0.00 N -ATOM 1490 CA ALA A 90 2.101 -9.194 1.907 1.00 0.00 C -ATOM 1491 C ALA A 90 3.262 -10.142 2.201 1.00 0.00 C -ATOM 1492 O ALA A 90 4.199 -10.243 1.409 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.150 -7.976 2.816 1.00 0.00 C -ATOM 1494 H ALA A 90 0.216 -9.621 2.747 1.00 0.00 H -ATOM 1495 HA ALA A 90 2.188 -8.856 0.886 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 3.076 -7.443 2.659 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 2.089 -8.298 3.846 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 1.317 -7.325 2.594 1.00 0.00 H -ATOM 1499 N VAL A 91 3.189 -10.872 3.315 1.00 0.00 N -ATOM 1500 CA VAL A 91 4.282 -11.772 3.690 1.00 0.00 C -ATOM 1501 C VAL A 91 4.368 -12.970 2.725 1.00 0.00 C -ATOM 1502 O VAL A 91 5.445 -13.518 2.495 1.00 0.00 O -ATOM 1503 CB VAL A 91 4.209 -12.238 5.189 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 3.002 -13.109 5.463 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 5.496 -12.932 5.627 1.00 0.00 C -ATOM 1506 H VAL A 91 2.394 -10.798 3.889 1.00 0.00 H -ATOM 1507 HA VAL A 91 5.190 -11.203 3.547 1.00 0.00 H -ATOM 1508 HB VAL A 91 4.094 -11.345 5.787 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 2.116 -12.550 5.204 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 2.974 -13.374 6.511 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 3.055 -14.001 4.857 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 5.662 -13.802 5.011 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 5.408 -13.234 6.661 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 6.327 -12.252 5.522 1.00 0.00 H -ATOM 1515 N LYS A 92 3.241 -13.322 2.108 1.00 0.00 N -ATOM 1516 CA LYS A 92 3.204 -14.404 1.127 1.00 0.00 C -ATOM 1517 C LYS A 92 3.931 -14.057 -0.169 1.00 0.00 C -ATOM 1518 O LYS A 92 4.176 -14.928 -0.999 1.00 0.00 O -ATOM 1519 CB LYS A 92 1.776 -14.897 0.845 1.00 0.00 C -ATOM 1520 CG LYS A 92 1.142 -15.715 1.975 1.00 0.00 C -ATOM 1521 CD LYS A 92 2.025 -16.889 2.392 1.00 0.00 C -ATOM 1522 CE LYS A 92 2.342 -17.821 1.228 1.00 0.00 C -ATOM 1523 NZ LYS A 92 3.332 -18.833 1.616 1.00 0.00 N -ATOM 1524 H LYS A 92 2.403 -12.863 2.339 1.00 0.00 H -ATOM 1525 HA LYS A 92 3.761 -15.218 1.564 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 1.159 -14.020 0.713 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 1.759 -15.481 -0.063 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 0.991 -15.073 2.830 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 0.188 -16.094 1.639 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 2.949 -16.516 2.807 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 1.504 -17.450 3.154 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 1.436 -18.314 0.908 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 2.741 -17.239 0.411 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 2.985 -19.413 2.404 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 4.220 -18.357 1.895 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 3.547 -19.454 0.812 1.00 0.00 H -ATOM 1537 N ARG A 93 4.272 -12.797 -0.343 1.00 0.00 N -ATOM 1538 CA ARG A 93 5.076 -12.396 -1.482 1.00 0.00 C -ATOM 1539 C ARG A 93 6.530 -12.709 -1.214 1.00 0.00 C -ATOM 1540 O ARG A 93 7.317 -12.921 -2.132 1.00 0.00 O -ATOM 1541 CB ARG A 93 4.927 -10.905 -1.776 1.00 0.00 C -ATOM 1542 CG ARG A 93 3.586 -10.501 -2.351 1.00 0.00 C -ATOM 1543 CD ARG A 93 3.349 -11.139 -3.714 1.00 0.00 C -ATOM 1544 NE ARG A 93 4.439 -10.847 -4.668 1.00 0.00 N -ATOM 1545 CZ ARG A 93 4.332 -10.075 -5.759 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 3.198 -9.447 -6.018 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 5.362 -9.938 -6.586 1.00 0.00 N -ATOM 1548 H ARG A 93 3.971 -12.125 0.305 1.00 0.00 H -ATOM 1549 HA ARG A 93 4.755 -12.962 -2.342 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 5.071 -10.359 -0.855 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 5.698 -10.615 -2.475 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 2.804 -10.812 -1.675 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 3.562 -9.428 -2.460 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 3.270 -12.209 -3.593 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 2.422 -10.761 -4.116 1.00 0.00 H -ATOM 1556 HE ARG A 93 5.291 -11.304 -4.475 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 2.392 -9.522 -5.434 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 3.079 -8.848 -6.824 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 6.240 -10.399 -6.429 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 5.319 -9.370 -7.412 1.00 0.00 H -ATOM 1561 N ILE A 94 6.871 -12.766 0.043 1.00 0.00 N -ATOM 1562 CA ILE A 94 8.230 -12.971 0.435 1.00 0.00 C -ATOM 1563 C ILE A 94 8.462 -14.444 0.759 1.00 0.00 C -ATOM 1564 O ILE A 94 9.413 -15.052 0.255 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.589 -12.084 1.649 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 8.183 -10.630 1.355 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 10.094 -12.160 1.935 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 8.355 -9.689 2.521 1.00 0.00 C -ATOM 1569 H ILE A 94 6.175 -12.690 0.730 1.00 0.00 H -ATOM 1570 HA ILE A 94 8.861 -12.693 -0.396 1.00 0.00 H -ATOM 1571 HB ILE A 94 8.042 -12.429 2.513 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 8.782 -10.254 0.539 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 7.143 -10.615 1.064 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 10.371 -13.183 2.145 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 10.329 -11.543 2.789 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 10.642 -11.807 1.075 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 8.037 -8.700 2.228 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 9.395 -9.664 2.811 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 7.752 -10.031 3.350 1.00 0.00 H -ATOM 1580 N LEU A 95 7.594 -15.012 1.583 1.00 0.00 N -ATOM 1581 CA LEU A 95 7.690 -16.409 1.956 1.00 0.00 C -ATOM 1582 C LEU A 95 6.451 -17.157 1.478 1.00 0.00 C -ATOM 1583 O LEU A 95 6.404 -17.536 0.303 1.00 0.00 O -ATOM 1584 CB LEU A 95 7.861 -16.617 3.490 1.00 0.00 C -ATOM 1585 CG LEU A 95 9.112 -16.034 4.190 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 10.396 -16.359 3.441 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 8.972 -14.545 4.471 1.00 0.00 C -ATOM 1588 OXT LEU A 95 5.522 -17.403 2.291 1.00 0.00 O -ATOM 1589 H LEU A 95 6.841 -14.492 1.943 1.00 0.00 H -ATOM 1590 HA LEU A 95 8.550 -16.819 1.448 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 7.000 -16.179 3.969 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 7.838 -17.680 3.678 1.00 0.00 H -ATOM 1593 HG LEU A 95 9.200 -16.544 5.140 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 11.239 -15.948 3.977 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 10.357 -15.921 2.455 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 10.509 -17.430 3.356 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 8.122 -14.377 5.115 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 8.827 -14.021 3.537 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 9.868 -14.181 4.951 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 17 -ATOM 1 N MET A 1 9.821 15.819 -3.054 1.00 0.00 N -ATOM 2 CA MET A 1 10.138 14.729 -3.951 1.00 0.00 C -ATOM 3 C MET A 1 8.990 13.769 -3.945 1.00 0.00 C -ATOM 4 O MET A 1 8.218 13.746 -2.996 1.00 0.00 O -ATOM 5 CB MET A 1 11.450 14.011 -3.545 1.00 0.00 C -ATOM 6 CG MET A 1 11.418 13.291 -2.197 1.00 0.00 C -ATOM 7 SD MET A 1 12.977 12.452 -1.813 1.00 0.00 S -ATOM 8 CE MET A 1 13.082 11.257 -3.155 1.00 0.00 C -ATOM 9 H MET A 1 10.586 16.518 -2.981 1.00 0.00 H -ATOM 10 HA MET A 1 10.236 15.130 -4.948 1.00 0.00 H -ATOM 11 HB2 MET A 1 11.685 13.275 -4.299 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.244 14.744 -3.516 1.00 0.00 H -ATOM 13 HG2 MET A 1 11.220 14.014 -1.420 1.00 0.00 H -ATOM 14 HG3 MET A 1 10.625 12.557 -2.211 1.00 0.00 H -ATOM 15 HE1 MET A 1 12.217 10.610 -3.135 1.00 0.00 H -ATOM 16 HE2 MET A 1 13.978 10.664 -3.040 1.00 0.00 H -ATOM 17 HE3 MET A 1 13.121 11.775 -4.102 1.00 0.00 H -ATOM 18 N ALA A 2 8.875 12.994 -4.980 1.00 0.00 N -ATOM 19 CA ALA A 2 7.812 12.046 -5.100 1.00 0.00 C -ATOM 20 C ALA A 2 8.374 10.750 -5.610 1.00 0.00 C -ATOM 21 O ALA A 2 9.410 10.733 -6.286 1.00 0.00 O -ATOM 22 CB ALA A 2 6.731 12.568 -6.039 1.00 0.00 C -ATOM 23 H ALA A 2 9.540 13.016 -5.704 1.00 0.00 H -ATOM 24 HA ALA A 2 7.378 11.894 -4.122 1.00 0.00 H -ATOM 25 HB1 ALA A 2 5.933 11.844 -6.105 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.153 12.726 -7.020 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.341 13.500 -5.657 1.00 0.00 H -ATOM 28 N TYR A 3 7.728 9.686 -5.271 1.00 0.00 N -ATOM 29 CA TYR A 3 8.128 8.364 -5.685 1.00 0.00 C -ATOM 30 C TYR A 3 7.135 7.858 -6.700 1.00 0.00 C -ATOM 31 O TYR A 3 6.063 8.458 -6.883 1.00 0.00 O -ATOM 32 CB TYR A 3 8.137 7.397 -4.485 1.00 0.00 C -ATOM 33 CG TYR A 3 9.214 7.623 -3.436 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.440 8.873 -2.876 1.00 0.00 C -ATOM 35 CD2 TYR A 3 9.998 6.565 -3.000 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.407 9.062 -1.921 1.00 0.00 C -ATOM 37 CE2 TYR A 3 10.962 6.744 -2.035 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.162 7.994 -1.500 1.00 0.00 C -ATOM 39 OH TYR A 3 12.103 8.175 -0.523 1.00 0.00 O -ATOM 40 H TYR A 3 6.920 9.779 -4.727 1.00 0.00 H -ATOM 41 HA TYR A 3 9.119 8.406 -6.113 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.187 7.469 -3.977 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.249 6.393 -4.866 1.00 0.00 H -ATOM 44 HD1 TYR A 3 8.845 9.712 -3.208 1.00 0.00 H -ATOM 45 HD2 TYR A 3 9.838 5.583 -3.422 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.567 10.043 -1.499 1.00 0.00 H -ATOM 47 HE2 TYR A 3 11.562 5.908 -1.708 1.00 0.00 H -ATOM 48 HH TYR A 3 12.855 7.578 -0.693 1.00 0.00 H -ATOM 49 N PHE A 4 7.474 6.790 -7.362 1.00 0.00 N -ATOM 50 CA PHE A 4 6.554 6.142 -8.264 1.00 0.00 C -ATOM 51 C PHE A 4 5.555 5.356 -7.434 1.00 0.00 C -ATOM 52 O PHE A 4 5.873 4.938 -6.337 1.00 0.00 O -ATOM 53 CB PHE A 4 7.286 5.193 -9.224 1.00 0.00 C -ATOM 54 CG PHE A 4 8.227 5.846 -10.195 1.00 0.00 C -ATOM 55 CD1 PHE A 4 9.554 6.055 -9.872 1.00 0.00 C -ATOM 56 CD2 PHE A 4 7.786 6.225 -11.446 1.00 0.00 C -ATOM 57 CE1 PHE A 4 10.418 6.632 -10.776 1.00 0.00 C -ATOM 58 CE2 PHE A 4 8.643 6.804 -12.349 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.961 7.008 -12.016 1.00 0.00 C -ATOM 60 H PHE A 4 8.378 6.419 -7.232 1.00 0.00 H -ATOM 61 HA PHE A 4 6.036 6.903 -8.823 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.874 4.502 -8.640 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.553 4.634 -9.788 1.00 0.00 H -ATOM 64 HD1 PHE A 4 9.908 5.762 -8.895 1.00 0.00 H -ATOM 65 HD2 PHE A 4 6.753 6.069 -11.716 1.00 0.00 H -ATOM 66 HE1 PHE A 4 11.453 6.791 -10.512 1.00 0.00 H -ATOM 67 HE2 PHE A 4 8.275 7.094 -13.321 1.00 0.00 H -ATOM 68 HZ PHE A 4 10.633 7.459 -12.729 1.00 0.00 H -ATOM 69 N LEU A 5 4.370 5.174 -7.929 1.00 0.00 N -ATOM 70 CA LEU A 5 3.370 4.410 -7.207 1.00 0.00 C -ATOM 71 C LEU A 5 2.885 3.321 -8.152 1.00 0.00 C -ATOM 72 O LEU A 5 2.444 3.616 -9.275 1.00 0.00 O -ATOM 73 CB LEU A 5 2.198 5.342 -6.750 1.00 0.00 C -ATOM 74 CG LEU A 5 1.236 4.851 -5.606 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.495 3.578 -5.949 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.976 4.680 -4.297 1.00 0.00 C -ATOM 77 H LEU A 5 4.154 5.527 -8.817 1.00 0.00 H -ATOM 78 HA LEU A 5 3.843 3.954 -6.349 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.630 6.279 -6.430 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.597 5.542 -7.624 1.00 0.00 H -ATOM 81 HG LEU A 5 0.476 5.607 -5.448 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.102 3.281 -5.098 1.00 0.00 H -ATOM 83 HD12 LEU A 5 1.208 2.799 -6.172 1.00 0.00 H -ATOM 84 HD13 LEU A 5 -0.146 3.746 -6.800 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.388 5.625 -3.980 1.00 0.00 H -ATOM 86 HD22 LEU A 5 2.768 3.958 -4.426 1.00 0.00 H -ATOM 87 HD23 LEU A 5 1.287 4.321 -3.547 1.00 0.00 H -ATOM 88 N ASP A 6 3.012 2.089 -7.749 1.00 0.00 N -ATOM 89 CA ASP A 6 2.578 0.976 -8.572 1.00 0.00 C -ATOM 90 C ASP A 6 1.769 0.016 -7.738 1.00 0.00 C -ATOM 91 O ASP A 6 1.899 -0.010 -6.514 1.00 0.00 O -ATOM 92 CB ASP A 6 3.775 0.250 -9.203 1.00 0.00 C -ATOM 93 CG ASP A 6 3.356 -0.797 -10.220 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.493 -0.488 -11.090 1.00 0.00 O -ATOM 95 OD2 ASP A 6 3.859 -1.926 -10.173 1.00 0.00 O -ATOM 96 H ASP A 6 3.402 1.894 -6.864 1.00 0.00 H -ATOM 97 HA ASP A 6 1.951 1.372 -9.357 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.442 0.954 -9.675 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.305 -0.256 -8.410 1.00 0.00 H -ATOM 100 N PHE A 7 0.946 -0.754 -8.379 1.00 0.00 N -ATOM 101 CA PHE A 7 0.098 -1.705 -7.710 1.00 0.00 C -ATOM 102 C PHE A 7 0.336 -3.074 -8.293 1.00 0.00 C -ATOM 103 O PHE A 7 0.534 -3.207 -9.511 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.388 -1.379 -7.929 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.890 -0.057 -7.418 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -2.411 0.054 -6.143 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -1.883 1.064 -8.235 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.915 1.255 -5.687 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -2.379 2.269 -7.785 1.00 0.00 C -ATOM 110 CZ PHE A 7 -2.898 2.366 -6.508 1.00 0.00 C -ATOM 111 H PHE A 7 0.941 -0.718 -9.360 1.00 0.00 H -ATOM 112 HA PHE A 7 0.307 -1.700 -6.651 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.569 -1.377 -8.993 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.982 -2.163 -7.481 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -2.421 -0.812 -5.497 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -1.478 0.988 -9.233 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -3.321 1.326 -4.689 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -2.363 3.136 -8.429 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.293 3.305 -6.152 1.00 0.00 H -ATOM 120 N ASP A 8 0.344 -4.077 -7.456 1.00 0.00 N -ATOM 121 CA ASP A 8 0.377 -5.444 -7.929 1.00 0.00 C -ATOM 122 C ASP A 8 -0.977 -5.777 -8.530 1.00 0.00 C -ATOM 123 O ASP A 8 -1.975 -5.131 -8.182 1.00 0.00 O -ATOM 124 CB ASP A 8 0.712 -6.438 -6.815 1.00 0.00 C -ATOM 125 CG ASP A 8 0.712 -7.859 -7.333 1.00 0.00 C -ATOM 126 OD1 ASP A 8 1.706 -8.266 -7.990 1.00 0.00 O -ATOM 127 OD2 ASP A 8 -0.290 -8.567 -7.150 1.00 0.00 O -ATOM 128 H ASP A 8 0.349 -3.902 -6.487 1.00 0.00 H -ATOM 129 HA ASP A 8 1.120 -5.507 -8.709 1.00 0.00 H -ATOM 130 HB2 ASP A 8 1.690 -6.213 -6.415 1.00 0.00 H -ATOM 131 HB3 ASP A 8 -0.024 -6.359 -6.027 1.00 0.00 H -ATOM 132 N GLU A 9 -1.020 -6.743 -9.431 1.00 0.00 N -ATOM 133 CA GLU A 9 -2.252 -7.143 -10.059 1.00 0.00 C -ATOM 134 C GLU A 9 -3.343 -7.491 -9.033 1.00 0.00 C -ATOM 135 O GLU A 9 -4.490 -7.113 -9.238 1.00 0.00 O -ATOM 136 CB GLU A 9 -2.056 -8.313 -11.016 1.00 0.00 C -ATOM 137 CG GLU A 9 -1.424 -9.530 -10.385 1.00 0.00 C -ATOM 138 CD GLU A 9 -1.826 -10.788 -11.081 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -1.173 -11.198 -12.054 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -2.852 -11.382 -10.673 1.00 0.00 O -ATOM 141 H GLU A 9 -0.188 -7.201 -9.675 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.599 -6.293 -10.632 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -3.019 -8.602 -11.409 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -1.426 -7.990 -11.832 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -0.350 -9.430 -10.446 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -1.728 -9.587 -9.350 1.00 0.00 H -ATOM 147 N ARG A 10 -2.995 -8.161 -7.897 1.00 0.00 N -ATOM 148 CA ARG A 10 -4.041 -8.486 -6.916 1.00 0.00 C -ATOM 149 C ARG A 10 -4.559 -7.216 -6.298 1.00 0.00 C -ATOM 150 O ARG A 10 -5.752 -7.050 -6.137 1.00 0.00 O -ATOM 151 CB ARG A 10 -3.627 -9.483 -5.793 1.00 0.00 C -ATOM 152 CG ARG A 10 -2.561 -8.989 -4.811 1.00 0.00 C -ATOM 153 CD ARG A 10 -2.553 -9.821 -3.523 1.00 0.00 C -ATOM 154 NE ARG A 10 -3.789 -9.628 -2.709 1.00 0.00 N -ATOM 155 CZ ARG A 10 -4.219 -10.439 -1.716 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -3.553 -11.536 -1.394 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -5.332 -10.143 -1.053 1.00 0.00 N -ATOM 158 H ARG A 10 -2.050 -8.402 -7.733 1.00 0.00 H -ATOM 159 HA ARG A 10 -4.858 -8.906 -7.485 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -4.505 -9.727 -5.214 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.263 -10.388 -6.256 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -1.591 -9.063 -5.280 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -2.765 -7.958 -4.564 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -2.464 -10.867 -3.781 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -1.701 -9.527 -2.930 1.00 0.00 H -ATOM 166 HE ARG A 10 -4.322 -8.812 -2.912 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -2.702 -11.827 -1.860 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -3.862 -12.145 -0.665 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -5.873 -9.314 -1.278 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -5.703 -10.711 -0.307 1.00 0.00 H -ATOM 171 N ALA A 11 -3.645 -6.287 -6.051 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.966 -5.027 -5.439 1.00 0.00 C -ATOM 173 C ALA A 11 -4.879 -4.225 -6.342 1.00 0.00 C -ATOM 174 O ALA A 11 -5.785 -3.593 -5.876 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.700 -4.249 -5.104 1.00 0.00 C -ATOM 176 H ALA A 11 -2.718 -6.462 -6.315 1.00 0.00 H -ATOM 177 HA ALA A 11 -4.490 -5.241 -4.518 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -2.077 -4.843 -4.449 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -2.963 -3.325 -4.611 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -2.161 -4.034 -6.015 1.00 0.00 H -ATOM 181 N LEU A 12 -4.653 -4.303 -7.647 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.498 -3.625 -8.607 1.00 0.00 C -ATOM 183 C LEU A 12 -6.878 -4.236 -8.634 1.00 0.00 C -ATOM 184 O LEU A 12 -7.872 -3.528 -8.633 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.876 -3.638 -10.000 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.755 -2.635 -10.240 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.104 -2.881 -11.591 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.308 -1.207 -10.177 1.00 0.00 C -ATOM 189 H LEU A 12 -3.897 -4.839 -7.973 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.593 -2.600 -8.278 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.483 -4.628 -10.176 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.660 -3.452 -10.715 1.00 0.00 H -ATOM 193 HG LEU A 12 -3.009 -2.742 -9.467 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -2.693 -3.880 -11.614 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.313 -2.163 -11.747 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -3.843 -2.779 -12.371 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -5.073 -1.083 -10.929 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -3.512 -0.502 -10.368 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.732 -1.005 -9.204 1.00 0.00 H -ATOM 200 N LYS A 13 -6.929 -5.543 -8.612 1.00 0.00 N -ATOM 201 CA LYS A 13 -8.183 -6.272 -8.625 1.00 0.00 C -ATOM 202 C LYS A 13 -8.998 -5.964 -7.365 1.00 0.00 C -ATOM 203 O LYS A 13 -10.216 -5.732 -7.437 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.898 -7.770 -8.795 1.00 0.00 C -ATOM 205 CG LYS A 13 -7.270 -8.073 -10.152 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.602 -9.437 -10.215 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.979 -9.647 -11.593 1.00 0.00 C -ATOM 208 NZ LYS A 13 -5.261 -10.929 -11.720 1.00 0.00 N -ATOM 209 H LYS A 13 -6.082 -6.043 -8.579 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.744 -5.922 -9.478 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -7.220 -8.088 -8.017 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.822 -8.323 -8.715 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -8.044 -8.046 -10.902 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -6.537 -7.310 -10.369 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.820 -9.449 -9.469 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -7.325 -10.212 -10.015 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -6.763 -9.620 -12.335 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -5.290 -8.837 -11.784 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -4.935 -11.037 -12.703 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -5.865 -11.743 -11.503 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -4.405 -10.982 -11.123 1.00 0.00 H -ATOM 222 N GLU A 14 -8.317 -5.915 -6.231 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.937 -5.562 -4.967 1.00 0.00 C -ATOM 224 C GLU A 14 -9.334 -4.080 -4.949 1.00 0.00 C -ATOM 225 O GLU A 14 -10.397 -3.733 -4.482 1.00 0.00 O -ATOM 226 CB GLU A 14 -8.013 -5.911 -3.797 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.662 -7.388 -3.749 1.00 0.00 C -ATOM 228 CD GLU A 14 -6.740 -7.765 -2.624 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -5.511 -7.570 -2.738 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -7.223 -8.328 -1.610 1.00 0.00 O -ATOM 231 H GLU A 14 -7.360 -6.148 -6.235 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.841 -6.148 -4.886 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -7.099 -5.344 -3.893 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.497 -5.647 -2.868 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -8.576 -7.952 -3.638 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -7.196 -7.656 -4.686 1.00 0.00 H -ATOM 237 N TRP A 15 -8.486 -3.236 -5.504 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.714 -1.783 -5.610 1.00 0.00 C -ATOM 239 C TRP A 15 -9.981 -1.498 -6.438 1.00 0.00 C -ATOM 240 O TRP A 15 -10.792 -0.623 -6.100 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.475 -1.154 -6.281 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.470 0.330 -6.432 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.843 1.045 -7.532 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -7.022 1.278 -5.467 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.679 2.387 -7.296 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.173 2.555 -6.035 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.518 1.171 -4.168 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.832 3.712 -5.355 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.178 2.321 -3.495 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.337 3.575 -4.088 1.00 0.00 C -ATOM 251 H TRP A 15 -7.631 -3.587 -5.844 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.828 -1.372 -4.618 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.604 -1.409 -5.697 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.365 -1.590 -7.263 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -8.218 0.597 -8.441 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.890 3.103 -7.934 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.390 0.207 -3.698 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.951 4.687 -5.803 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.783 2.262 -2.491 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.058 4.452 -3.522 1.00 0.00 H -ATOM 261 N ARG A 16 -10.145 -2.248 -7.507 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.305 -2.123 -8.376 1.00 0.00 C -ATOM 263 C ARG A 16 -12.539 -2.709 -7.702 1.00 0.00 C -ATOM 264 O ARG A 16 -13.663 -2.229 -7.919 1.00 0.00 O -ATOM 265 CB ARG A 16 -11.034 -2.799 -9.713 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.876 -2.171 -10.460 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.466 -3.000 -11.646 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.218 -2.516 -12.238 1.00 0.00 N -ATOM 269 CZ ARG A 16 -7.314 -3.291 -12.847 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -7.523 -4.604 -12.949 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -6.195 -2.757 -13.338 1.00 0.00 N -ATOM 272 H ARG A 16 -9.435 -2.895 -7.726 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.477 -1.070 -8.540 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.806 -3.839 -9.535 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.915 -2.735 -10.333 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.176 -1.191 -10.803 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -9.038 -2.077 -9.786 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.318 -4.014 -11.306 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -10.246 -2.972 -12.393 1.00 0.00 H -ATOM 280 HE ARG A 16 -8.077 -1.545 -12.141 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.347 -5.047 -12.581 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -6.867 -5.218 -13.394 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -5.995 -1.775 -13.270 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -5.500 -3.326 -13.790 1.00 0.00 H -ATOM 285 N LYS A 17 -12.316 -3.722 -6.876 1.00 0.00 N -ATOM 286 CA LYS A 17 -13.365 -4.359 -6.085 1.00 0.00 C -ATOM 287 C LYS A 17 -13.893 -3.380 -5.043 1.00 0.00 C -ATOM 288 O LYS A 17 -15.100 -3.272 -4.826 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.791 -5.578 -5.362 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.769 -6.279 -4.434 1.00 0.00 C -ATOM 291 CD LYS A 17 -13.073 -7.302 -3.548 1.00 0.00 C -ATOM 292 CE LYS A 17 -12.411 -8.398 -4.353 1.00 0.00 C -ATOM 293 NZ LYS A 17 -11.787 -9.409 -3.486 1.00 0.00 N -ATOM 294 H LYS A 17 -11.400 -4.068 -6.793 1.00 0.00 H -ATOM 295 HA LYS A 17 -14.161 -4.679 -6.739 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -12.451 -6.287 -6.102 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.941 -5.255 -4.778 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -14.238 -5.538 -3.805 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -14.521 -6.776 -5.029 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -12.317 -6.797 -2.965 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -13.804 -7.736 -2.883 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -13.164 -8.878 -4.960 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -11.656 -7.961 -4.989 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -11.064 -9.002 -2.861 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -11.313 -10.130 -4.068 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -12.501 -9.892 -2.906 1.00 0.00 H -ATOM 307 N LEU A 18 -12.959 -2.693 -4.408 1.00 0.00 N -ATOM 308 CA LEU A 18 -13.223 -1.722 -3.361 1.00 0.00 C -ATOM 309 C LEU A 18 -14.223 -0.659 -3.763 1.00 0.00 C -ATOM 310 O LEU A 18 -14.390 -0.325 -4.960 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.924 -1.044 -2.908 1.00 0.00 C -ATOM 312 CG LEU A 18 -11.353 -1.459 -1.546 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -11.058 -2.948 -1.474 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -10.108 -0.656 -1.241 1.00 0.00 C -ATOM 315 H LEU A 18 -12.021 -2.865 -4.645 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.610 -2.272 -2.518 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -11.171 -1.241 -3.657 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -12.100 0.022 -2.886 1.00 0.00 H -ATOM 319 HG LEU A 18 -12.082 -1.227 -0.786 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -11.970 -3.502 -1.640 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -10.665 -3.189 -0.497 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.334 -3.211 -2.232 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -10.367 0.392 -1.217 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -9.364 -0.830 -2.005 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.718 -0.950 -0.279 1.00 0.00 H -ATOM 326 N GLY A 19 -14.887 -0.140 -2.760 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.809 0.923 -2.939 1.00 0.00 C -ATOM 328 C GLY A 19 -15.075 2.151 -3.370 1.00 0.00 C -ATOM 329 O GLY A 19 -13.958 2.414 -2.889 1.00 0.00 O -ATOM 330 H GLY A 19 -14.722 -0.507 -1.864 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.538 0.649 -3.689 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.311 1.125 -2.006 1.00 0.00 H -ATOM 333 N SER A 20 -15.676 2.892 -4.250 1.00 0.00 N -ATOM 334 CA SER A 20 -15.090 4.057 -4.849 1.00 0.00 C -ATOM 335 C SER A 20 -14.586 5.078 -3.815 1.00 0.00 C -ATOM 336 O SER A 20 -13.450 5.519 -3.886 1.00 0.00 O -ATOM 337 CB SER A 20 -16.107 4.636 -5.817 1.00 0.00 C -ATOM 338 OG SER A 20 -17.429 4.451 -5.303 1.00 0.00 O -ATOM 339 H SER A 20 -16.593 2.685 -4.523 1.00 0.00 H -ATOM 340 HA SER A 20 -14.241 3.722 -5.427 1.00 0.00 H -ATOM 341 HB2 SER A 20 -15.926 5.692 -5.940 1.00 0.00 H -ATOM 342 HB3 SER A 20 -16.033 4.137 -6.772 1.00 0.00 H -ATOM 343 HG SER A 20 -17.842 5.325 -5.247 1.00 0.00 H -ATOM 344 N THR A 21 -15.393 5.359 -2.825 1.00 0.00 N -ATOM 345 CA THR A 21 -15.054 6.319 -1.790 1.00 0.00 C -ATOM 346 C THR A 21 -13.913 5.792 -0.907 1.00 0.00 C -ATOM 347 O THR A 21 -13.007 6.547 -0.512 1.00 0.00 O -ATOM 348 CB THR A 21 -16.298 6.629 -0.940 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.347 7.088 -1.817 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.009 7.697 0.105 1.00 0.00 C -ATOM 351 H THR A 21 -16.252 4.891 -2.781 1.00 0.00 H -ATOM 352 HA THR A 21 -14.729 7.228 -2.274 1.00 0.00 H -ATOM 353 HB THR A 21 -16.601 5.713 -0.453 1.00 0.00 H -ATOM 354 HG1 THR A 21 -18.191 6.869 -1.401 1.00 0.00 H -ATOM 355 HG21 THR A 21 -15.231 7.349 0.768 1.00 0.00 H -ATOM 356 HG22 THR A 21 -16.904 7.900 0.675 1.00 0.00 H -ATOM 357 HG23 THR A 21 -15.682 8.603 -0.384 1.00 0.00 H -ATOM 358 N VAL A 22 -13.930 4.487 -0.670 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.931 3.842 0.150 1.00 0.00 C -ATOM 360 C VAL A 22 -11.582 3.936 -0.539 1.00 0.00 C -ATOM 361 O VAL A 22 -10.582 4.363 0.051 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.288 2.346 0.353 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -12.212 1.625 1.136 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.636 2.196 1.043 1.00 0.00 C -ATOM 365 H VAL A 22 -14.627 3.932 -1.076 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.892 4.328 1.114 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.361 1.894 -0.625 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -11.274 1.695 0.606 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -12.485 0.587 1.255 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -12.111 2.084 2.109 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.600 2.670 2.012 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -14.864 1.148 1.164 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -15.400 2.665 0.440 1.00 0.00 H -ATOM 374 N ARG A 23 -11.574 3.600 -1.807 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.368 3.651 -2.573 1.00 0.00 C -ATOM 376 C ARG A 23 -9.887 5.080 -2.804 1.00 0.00 C -ATOM 377 O ARG A 23 -8.701 5.311 -2.839 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.425 2.834 -3.851 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.528 3.202 -4.806 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.251 2.592 -6.150 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.296 2.894 -7.138 1.00 0.00 N -ATOM 382 CZ ARG A 23 -13.027 1.970 -7.793 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.888 0.669 -7.504 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.904 2.356 -8.720 1.00 0.00 N -ATOM 385 H ARG A 23 -12.415 3.304 -2.225 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.626 3.206 -1.924 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.484 2.921 -4.373 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.573 1.801 -3.564 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.435 2.764 -4.412 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.661 4.273 -4.874 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.306 3.014 -6.467 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -11.142 1.524 -6.035 1.00 0.00 H -ATOM 393 HE ARG A 23 -12.400 3.857 -7.318 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -12.236 0.346 -6.806 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -13.426 -0.052 -7.948 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -14.045 3.322 -8.953 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -14.473 1.724 -9.256 1.00 0.00 H -ATOM 398 N GLU A 24 -10.816 6.030 -2.972 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.450 7.451 -3.090 1.00 0.00 C -ATOM 400 C GLU A 24 -9.667 7.901 -1.876 1.00 0.00 C -ATOM 401 O GLU A 24 -8.645 8.569 -2.005 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.678 8.345 -3.244 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.346 8.281 -4.597 1.00 0.00 C -ATOM 404 CD GLU A 24 -13.626 9.072 -4.635 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -13.577 10.319 -4.636 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -14.715 8.459 -4.655 1.00 0.00 O -ATOM 407 H GLU A 24 -11.765 5.780 -3.037 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.826 7.559 -3.964 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.407 8.061 -2.499 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.378 9.367 -3.059 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -11.671 8.671 -5.344 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.570 7.249 -4.818 1.00 0.00 H -ATOM 413 N GLN A 25 -10.123 7.496 -0.701 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.471 7.872 0.534 1.00 0.00 C -ATOM 415 C GLN A 25 -8.094 7.243 0.644 1.00 0.00 C -ATOM 416 O GLN A 25 -7.143 7.889 1.086 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.353 7.558 1.744 1.00 0.00 C -ATOM 418 CG GLN A 25 -10.917 8.808 2.418 1.00 0.00 C -ATOM 419 CD GLN A 25 -11.724 9.726 1.490 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -11.716 10.947 1.668 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -12.451 9.172 0.546 1.00 0.00 N -ATOM 422 H GLN A 25 -10.915 6.913 -0.662 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.329 8.941 0.481 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -11.178 6.937 1.424 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.765 7.016 2.470 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.563 8.501 3.228 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -10.091 9.371 2.826 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -12.469 8.192 0.460 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -12.958 9.762 -0.051 1.00 0.00 H -ATOM 430 N LEU A 26 -7.982 6.005 0.200 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.703 5.313 0.180 1.00 0.00 C -ATOM 432 C LEU A 26 -5.763 5.963 -0.828 1.00 0.00 C -ATOM 433 O LEU A 26 -4.586 6.160 -0.546 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.886 3.835 -0.144 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.667 3.002 0.884 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.794 1.574 0.415 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.990 3.049 2.250 1.00 0.00 C -ATOM 438 H LEU A 26 -8.791 5.540 -0.107 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.263 5.408 1.162 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.406 3.787 -1.090 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.909 3.396 -0.276 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.667 3.398 0.985 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -6.809 1.146 0.296 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.316 1.550 -0.531 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.349 1.001 1.143 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -6.975 4.066 2.616 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -5.977 2.686 2.162 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -7.532 2.424 2.944 1.00 0.00 H -ATOM 449 N LYS A 27 -6.299 6.303 -1.996 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.552 6.993 -3.044 1.00 0.00 C -ATOM 451 C LYS A 27 -4.977 8.306 -2.518 1.00 0.00 C -ATOM 452 O LYS A 27 -3.826 8.646 -2.797 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.460 7.298 -4.222 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.731 7.945 -5.384 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.682 8.460 -6.445 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.457 9.671 -5.958 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.351 10.198 -6.995 1.00 0.00 N -ATOM 458 H LYS A 27 -7.231 6.040 -2.184 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.748 6.354 -3.374 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.909 6.376 -4.560 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.238 7.961 -3.880 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.173 8.778 -4.982 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -5.050 7.228 -5.816 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -6.117 8.740 -7.321 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.379 7.675 -6.701 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -8.047 9.400 -5.096 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.749 10.440 -5.682 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -9.078 9.510 -7.275 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -7.831 10.478 -7.850 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -8.845 11.050 -6.662 1.00 0.00 H -ATOM 471 N LYS A 28 -5.798 9.037 -1.769 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.384 10.287 -1.141 1.00 0.00 C -ATOM 473 C LYS A 28 -4.183 10.058 -0.254 1.00 0.00 C -ATOM 474 O LYS A 28 -3.227 10.832 -0.283 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.515 10.889 -0.312 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.686 11.368 -1.112 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.777 11.870 -0.198 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.945 12.401 -0.984 1.00 0.00 C -ATOM 479 NZ LYS A 28 -9.581 13.580 -1.809 1.00 0.00 N -ATOM 480 H LYS A 28 -6.723 8.722 -1.666 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.119 10.979 -1.925 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.888 10.142 0.372 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.132 11.725 0.254 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.368 12.170 -1.762 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -8.071 10.549 -1.702 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.117 11.057 0.426 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.384 12.659 0.425 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -10.271 11.601 -1.632 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.726 12.664 -0.289 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -8.893 13.341 -2.550 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -9.153 14.324 -1.218 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -10.421 14.000 -2.254 1.00 0.00 H -ATOM 493 N LYS A 29 -4.223 8.982 0.502 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.132 8.628 1.383 1.00 0.00 C -ATOM 495 C LYS A 29 -1.880 8.285 0.587 1.00 0.00 C -ATOM 496 O LYS A 29 -0.783 8.658 0.967 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.522 7.473 2.299 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.744 7.736 3.172 1.00 0.00 C -ATOM 499 CD LYS A 29 -4.532 8.904 4.121 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.758 9.123 4.987 1.00 0.00 C -ATOM 501 NZ LYS A 29 -5.568 10.225 5.957 1.00 0.00 N -ATOM 502 H LYS A 29 -5.021 8.412 0.459 1.00 0.00 H -ATOM 503 HA LYS A 29 -2.897 9.487 1.989 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -3.723 6.601 1.693 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.687 7.267 2.951 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -5.588 7.958 2.536 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -4.957 6.848 3.750 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -3.683 8.695 4.755 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -4.343 9.800 3.549 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.605 9.343 4.354 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.937 8.202 5.523 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -4.825 9.990 6.644 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -6.446 10.422 6.477 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -5.291 11.100 5.468 1.00 0.00 H -ATOM 515 N LEU A 30 -2.060 7.610 -0.535 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.955 7.232 -1.394 1.00 0.00 C -ATOM 517 C LEU A 30 -0.277 8.449 -2.000 1.00 0.00 C -ATOM 518 O LEU A 30 0.950 8.569 -1.965 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.434 6.300 -2.507 1.00 0.00 C -ATOM 520 CG LEU A 30 -2.040 4.978 -2.056 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.507 4.175 -3.250 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.037 4.192 -1.233 1.00 0.00 C -ATOM 523 H LEU A 30 -2.966 7.339 -0.794 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.234 6.700 -0.792 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.174 6.830 -3.089 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.593 6.081 -3.147 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.901 5.182 -1.435 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -2.931 3.240 -2.915 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -1.669 3.979 -3.902 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -3.256 4.736 -3.788 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -1.463 3.241 -0.955 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -0.816 4.757 -0.340 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.132 4.041 -1.803 1.00 0.00 H -ATOM 534 N VAL A 31 -1.067 9.366 -2.523 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.509 10.532 -3.170 1.00 0.00 C -ATOM 536 C VAL A 31 0.228 11.436 -2.162 1.00 0.00 C -ATOM 537 O VAL A 31 1.314 11.939 -2.456 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.562 11.322 -4.028 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -2.675 11.926 -3.191 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -0.894 12.382 -4.890 1.00 0.00 C -ATOM 541 H VAL A 31 -2.041 9.237 -2.474 1.00 0.00 H -ATOM 542 HA VAL A 31 0.252 10.145 -3.834 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.030 10.606 -4.690 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -3.179 11.137 -2.652 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -3.379 12.431 -3.835 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -2.254 12.629 -2.489 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -0.187 11.913 -5.558 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -0.383 13.091 -4.257 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -1.653 12.890 -5.467 1.00 0.00 H -ATOM 550 N GLU A 32 -0.344 11.622 -0.973 1.00 0.00 N -ATOM 551 CA GLU A 32 0.312 12.427 0.051 1.00 0.00 C -ATOM 552 C GLU A 32 1.553 11.729 0.610 1.00 0.00 C -ATOM 553 O GLU A 32 2.564 12.366 0.867 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.639 12.839 1.184 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.211 11.689 1.985 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.106 12.142 3.093 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -1.600 12.430 4.196 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -3.323 12.225 2.888 1.00 0.00 O -ATOM 559 H GLU A 32 -1.216 11.211 -0.784 1.00 0.00 H -ATOM 560 HA GLU A 32 0.657 13.319 -0.452 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.106 13.484 1.865 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.458 13.396 0.754 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -1.780 11.065 1.312 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.395 11.114 2.398 1.00 0.00 H -ATOM 565 N VAL A 33 1.476 10.411 0.765 1.00 0.00 N -ATOM 566 CA VAL A 33 2.556 9.652 1.359 1.00 0.00 C -ATOM 567 C VAL A 33 3.817 9.709 0.498 1.00 0.00 C -ATOM 568 O VAL A 33 4.897 9.662 1.008 1.00 0.00 O -ATOM 569 CB VAL A 33 2.168 8.186 1.748 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.222 7.213 0.577 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.991 7.697 2.927 1.00 0.00 C -ATOM 572 H VAL A 33 0.663 9.932 0.487 1.00 0.00 H -ATOM 573 HA VAL A 33 2.799 10.192 2.264 1.00 0.00 H -ATOM 574 HB VAL A 33 1.136 8.221 2.065 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.911 6.233 0.904 1.00 0.00 H -ATOM 576 HG12 VAL A 33 3.236 7.163 0.205 1.00 0.00 H -ATOM 577 HG13 VAL A 33 1.572 7.560 -0.213 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.698 6.689 3.179 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.832 8.345 3.776 1.00 0.00 H -ATOM 580 HG23 VAL A 33 4.032 7.709 2.648 1.00 0.00 H -ATOM 581 N LEU A 34 3.643 9.837 -0.815 1.00 0.00 N -ATOM 582 CA LEU A 34 4.756 9.895 -1.773 1.00 0.00 C -ATOM 583 C LEU A 34 5.796 10.987 -1.458 1.00 0.00 C -ATOM 584 O LEU A 34 6.957 10.839 -1.838 1.00 0.00 O -ATOM 585 CB LEU A 34 4.234 10.117 -3.200 1.00 0.00 C -ATOM 586 CG LEU A 34 3.427 8.981 -3.824 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.884 9.403 -5.178 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.287 7.740 -3.972 1.00 0.00 C -ATOM 589 H LEU A 34 2.723 9.862 -1.154 1.00 0.00 H -ATOM 590 HA LEU A 34 5.255 8.939 -1.753 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.608 10.996 -3.187 1.00 0.00 H -ATOM 592 HB3 LEU A 34 5.084 10.317 -3.836 1.00 0.00 H -ATOM 593 HG LEU A 34 2.591 8.742 -3.185 1.00 0.00 H -ATOM 594 HD11 LEU A 34 2.242 10.264 -5.057 1.00 0.00 H -ATOM 595 HD12 LEU A 34 2.319 8.592 -5.611 1.00 0.00 H -ATOM 596 HD13 LEU A 34 3.705 9.659 -5.829 1.00 0.00 H -ATOM 597 HD21 LEU A 34 3.730 6.972 -4.487 1.00 0.00 H -ATOM 598 HD22 LEU A 34 4.574 7.375 -2.998 1.00 0.00 H -ATOM 599 HD23 LEU A 34 5.170 7.982 -4.543 1.00 0.00 H -ATOM 600 N GLU A 35 5.404 12.067 -0.774 1.00 0.00 N -ATOM 601 CA GLU A 35 6.372 13.115 -0.472 1.00 0.00 C -ATOM 602 C GLU A 35 7.251 12.768 0.739 1.00 0.00 C -ATOM 603 O GLU A 35 8.416 13.172 0.820 1.00 0.00 O -ATOM 604 CB GLU A 35 5.710 14.505 -0.385 1.00 0.00 C -ATOM 605 CG GLU A 35 4.539 14.649 0.586 1.00 0.00 C -ATOM 606 CD GLU A 35 4.932 14.652 2.039 1.00 0.00 C -ATOM 607 OE1 GLU A 35 5.861 15.392 2.416 1.00 0.00 O -ATOM 608 OE2 GLU A 35 4.316 13.914 2.837 1.00 0.00 O -ATOM 609 H GLU A 35 4.475 12.157 -0.466 1.00 0.00 H -ATOM 610 HA GLU A 35 7.043 13.110 -1.320 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.463 15.221 -0.091 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.364 14.770 -1.373 1.00 0.00 H -ATOM 613 HG2 GLU A 35 3.992 15.552 0.370 1.00 0.00 H -ATOM 614 HG3 GLU A 35 3.878 13.806 0.433 1.00 0.00 H -ATOM 615 N SER A 36 6.700 12.005 1.644 1.00 0.00 N -ATOM 616 CA SER A 36 7.410 11.536 2.809 1.00 0.00 C -ATOM 617 C SER A 36 6.963 10.111 3.113 1.00 0.00 C -ATOM 618 O SER A 36 6.169 9.893 4.010 1.00 0.00 O -ATOM 619 CB SER A 36 7.159 12.451 4.031 1.00 0.00 C -ATOM 620 OG SER A 36 7.553 13.808 3.784 1.00 0.00 O -ATOM 621 H SER A 36 5.774 11.706 1.521 1.00 0.00 H -ATOM 622 HA SER A 36 8.468 11.500 2.598 1.00 0.00 H -ATOM 623 HB2 SER A 36 6.104 12.441 4.266 1.00 0.00 H -ATOM 624 HB3 SER A 36 7.718 12.074 4.875 1.00 0.00 H -ATOM 625 HG SER A 36 6.902 14.197 3.174 1.00 0.00 H -ATOM 626 N PRO A 37 7.381 9.119 2.293 1.00 0.00 N -ATOM 627 CA PRO A 37 6.977 7.736 2.503 1.00 0.00 C -ATOM 628 C PRO A 37 7.676 7.111 3.682 1.00 0.00 C -ATOM 629 O PRO A 37 7.131 6.246 4.335 1.00 0.00 O -ATOM 630 CB PRO A 37 7.358 7.038 1.199 1.00 0.00 C -ATOM 631 CG PRO A 37 8.467 7.855 0.658 1.00 0.00 C -ATOM 632 CD PRO A 37 8.172 9.274 1.053 1.00 0.00 C -ATOM 633 HA PRO A 37 5.914 7.662 2.659 1.00 0.00 H -ATOM 634 HB2 PRO A 37 7.666 6.023 1.401 1.00 0.00 H -ATOM 635 HB3 PRO A 37 6.509 7.038 0.531 1.00 0.00 H -ATOM 636 HG2 PRO A 37 9.402 7.532 1.096 1.00 0.00 H -ATOM 637 HG3 PRO A 37 8.507 7.763 -0.417 1.00 0.00 H -ATOM 638 HD2 PRO A 37 9.081 9.830 1.232 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.568 9.749 0.291 1.00 0.00 H -ATOM 640 N ARG A 38 8.866 7.595 3.975 1.00 0.00 N -ATOM 641 CA ARG A 38 9.662 7.084 5.078 1.00 0.00 C -ATOM 642 C ARG A 38 9.233 7.617 6.438 1.00 0.00 C -ATOM 643 O ARG A 38 9.929 8.406 7.073 1.00 0.00 O -ATOM 644 CB ARG A 38 11.188 7.197 4.828 1.00 0.00 C -ATOM 645 CG ARG A 38 11.618 8.352 3.919 1.00 0.00 C -ATOM 646 CD ARG A 38 11.271 9.732 4.459 1.00 0.00 C -ATOM 647 NE ARG A 38 11.523 10.739 3.437 1.00 0.00 N -ATOM 648 CZ ARG A 38 11.094 12.001 3.431 1.00 0.00 C -ATOM 649 NH1 ARG A 38 10.496 12.520 4.498 1.00 0.00 N -ATOM 650 NH2 ARG A 38 11.300 12.750 2.353 1.00 0.00 N -ATOM 651 H ARG A 38 9.191 8.336 3.426 1.00 0.00 H -ATOM 652 HA ARG A 38 9.416 6.031 5.109 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.678 7.328 5.781 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.532 6.272 4.391 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.686 8.306 3.774 1.00 0.00 H -ATOM 656 HG3 ARG A 38 11.134 8.222 2.962 1.00 0.00 H -ATOM 657 HD2 ARG A 38 10.226 9.751 4.730 1.00 0.00 H -ATOM 658 HD3 ARG A 38 11.879 9.946 5.326 1.00 0.00 H -ATOM 659 HE ARG A 38 12.027 10.411 2.657 1.00 0.00 H -ATOM 660 HH11 ARG A 38 10.340 12.006 5.346 1.00 0.00 H -ATOM 661 HH12 ARG A 38 10.173 13.468 4.496 1.00 0.00 H -ATOM 662 HH21 ARG A 38 11.776 12.373 1.552 1.00 0.00 H -ATOM 663 HH22 ARG A 38 10.978 13.699 2.285 1.00 0.00 H -ATOM 664 N ILE A 39 8.049 7.234 6.816 1.00 0.00 N -ATOM 665 CA ILE A 39 7.479 7.546 8.105 1.00 0.00 C -ATOM 666 C ILE A 39 7.565 6.289 8.960 1.00 0.00 C -ATOM 667 O ILE A 39 6.922 5.279 8.645 1.00 0.00 O -ATOM 668 CB ILE A 39 5.988 7.979 7.964 1.00 0.00 C -ATOM 669 CG1 ILE A 39 5.878 9.205 7.049 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.380 8.283 9.333 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.455 9.630 6.733 1.00 0.00 C -ATOM 672 H ILE A 39 7.527 6.710 6.166 1.00 0.00 H -ATOM 673 HA ILE A 39 8.051 8.343 8.557 1.00 0.00 H -ATOM 674 HB ILE A 39 5.438 7.162 7.521 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.369 10.042 7.523 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.377 8.990 6.116 1.00 0.00 H -ATOM 677 HG21 ILE A 39 5.452 7.408 9.961 1.00 0.00 H -ATOM 678 HG22 ILE A 39 4.342 8.555 9.211 1.00 0.00 H -ATOM 679 HG23 ILE A 39 5.916 9.102 9.789 1.00 0.00 H -ATOM 680 HD11 ILE A 39 3.938 9.871 7.648 1.00 0.00 H -ATOM 681 HD12 ILE A 39 3.942 8.824 6.230 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.471 10.497 6.088 1.00 0.00 H -ATOM 683 N GLU A 40 8.349 6.344 10.033 1.00 0.00 N -ATOM 684 CA GLU A 40 8.578 5.174 10.897 1.00 0.00 C -ATOM 685 C GLU A 40 7.277 4.642 11.508 1.00 0.00 C -ATOM 686 O GLU A 40 7.132 3.447 11.735 1.00 0.00 O -ATOM 687 CB GLU A 40 9.587 5.487 12.000 1.00 0.00 C -ATOM 688 CG GLU A 40 9.159 6.595 12.934 1.00 0.00 C -ATOM 689 CD GLU A 40 10.111 6.775 14.067 1.00 0.00 C -ATOM 690 OE1 GLU A 40 9.965 6.088 15.094 1.00 0.00 O -ATOM 691 OE2 GLU A 40 11.022 7.608 13.962 1.00 0.00 O -ATOM 692 H GLU A 40 8.792 7.193 10.252 1.00 0.00 H -ATOM 693 HA GLU A 40 8.994 4.403 10.267 1.00 0.00 H -ATOM 694 HB2 GLU A 40 9.747 4.595 12.589 1.00 0.00 H -ATOM 695 HB3 GLU A 40 10.522 5.771 11.541 1.00 0.00 H -ATOM 696 HG2 GLU A 40 9.111 7.519 12.376 1.00 0.00 H -ATOM 697 HG3 GLU A 40 8.182 6.360 13.328 1.00 0.00 H -ATOM 698 N ALA A 41 6.318 5.536 11.696 1.00 0.00 N -ATOM 699 CA ALA A 41 5.038 5.203 12.306 1.00 0.00 C -ATOM 700 C ALA A 41 4.218 4.234 11.450 1.00 0.00 C -ATOM 701 O ALA A 41 3.302 3.564 11.948 1.00 0.00 O -ATOM 702 CB ALA A 41 4.245 6.472 12.570 1.00 0.00 C -ATOM 703 H ALA A 41 6.497 6.459 11.419 1.00 0.00 H -ATOM 704 HA ALA A 41 5.242 4.736 13.258 1.00 0.00 H -ATOM 705 HB1 ALA A 41 4.000 6.944 11.630 1.00 0.00 H -ATOM 706 HB2 ALA A 41 4.835 7.151 13.166 1.00 0.00 H -ATOM 707 HB3 ALA A 41 3.334 6.225 13.095 1.00 0.00 H -ATOM 708 N ASN A 42 4.541 4.139 10.180 1.00 0.00 N -ATOM 709 CA ASN A 42 3.792 3.263 9.296 1.00 0.00 C -ATOM 710 C ASN A 42 4.576 2.029 8.925 1.00 0.00 C -ATOM 711 O ASN A 42 4.052 1.156 8.236 1.00 0.00 O -ATOM 712 CB ASN A 42 3.316 3.984 8.024 1.00 0.00 C -ATOM 713 CG ASN A 42 2.243 5.019 8.277 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.458 4.910 9.217 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.185 6.022 7.437 1.00 0.00 N -ATOM 716 H ASN A 42 5.304 4.649 9.830 1.00 0.00 H -ATOM 717 HA ASN A 42 2.919 2.943 9.845 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.155 4.497 7.579 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.932 3.254 7.326 1.00 0.00 H -ATOM 720 HD21 ASN A 42 2.826 6.058 6.698 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.480 6.690 7.578 1.00 0.00 H -ATOM 722 N LYS A 43 5.814 1.931 9.396 1.00 0.00 N -ATOM 723 CA LYS A 43 6.658 0.810 9.017 1.00 0.00 C -ATOM 724 C LYS A 43 6.268 -0.452 9.728 1.00 0.00 C -ATOM 725 O LYS A 43 5.908 -0.451 10.933 1.00 0.00 O -ATOM 726 CB LYS A 43 8.164 1.070 9.220 1.00 0.00 C -ATOM 727 CG LYS A 43 8.666 2.294 8.503 1.00 0.00 C -ATOM 728 CD LYS A 43 10.189 2.370 8.383 1.00 0.00 C -ATOM 729 CE LYS A 43 10.707 1.429 7.287 1.00 0.00 C -ATOM 730 NZ LYS A 43 12.150 1.613 7.014 1.00 0.00 N -ATOM 731 H LYS A 43 6.150 2.599 10.030 1.00 0.00 H -ATOM 732 HA LYS A 43 6.487 0.648 7.963 1.00 0.00 H -ATOM 733 HB2 LYS A 43 8.351 1.200 10.276 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.717 0.211 8.869 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.263 2.253 7.502 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.287 3.175 8.995 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.470 3.384 8.140 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.630 2.089 9.328 1.00 0.00 H -ATOM 739 HE2 LYS A 43 10.543 0.409 7.598 1.00 0.00 H -ATOM 740 HE3 LYS A 43 10.150 1.617 6.380 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 12.427 1.144 6.122 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 12.725 1.193 7.771 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.396 2.620 6.939 1.00 0.00 H -ATOM 744 N LEU A 44 6.305 -1.512 8.983 1.00 0.00 N -ATOM 745 CA LEU A 44 6.075 -2.816 9.494 1.00 0.00 C -ATOM 746 C LEU A 44 7.332 -3.289 10.204 1.00 0.00 C -ATOM 747 O LEU A 44 8.443 -2.909 9.823 1.00 0.00 O -ATOM 748 CB LEU A 44 5.671 -3.756 8.364 1.00 0.00 C -ATOM 749 CG LEU A 44 4.321 -3.455 7.707 1.00 0.00 C -ATOM 750 CD1 LEU A 44 4.051 -4.403 6.563 1.00 0.00 C -ATOM 751 CD2 LEU A 44 3.209 -3.561 8.720 1.00 0.00 C -ATOM 752 H LEU A 44 6.501 -1.397 8.026 1.00 0.00 H -ATOM 753 HA LEU A 44 5.267 -2.752 10.208 1.00 0.00 H -ATOM 754 HB2 LEU A 44 6.426 -3.668 7.598 1.00 0.00 H -ATOM 755 HB3 LEU A 44 5.659 -4.771 8.730 1.00 0.00 H -ATOM 756 HG LEU A 44 4.324 -2.447 7.320 1.00 0.00 H -ATOM 757 HD11 LEU A 44 4.837 -4.335 5.827 1.00 0.00 H -ATOM 758 HD12 LEU A 44 3.110 -4.130 6.108 1.00 0.00 H -ATOM 759 HD13 LEU A 44 3.983 -5.413 6.939 1.00 0.00 H -ATOM 760 HD21 LEU A 44 3.209 -4.551 9.154 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.272 -3.397 8.212 1.00 0.00 H -ATOM 762 HD23 LEU A 44 3.336 -2.819 9.494 1.00 0.00 H -ATOM 763 N ARG A 45 7.141 -4.109 11.209 1.00 0.00 N -ATOM 764 CA ARG A 45 8.197 -4.549 12.106 1.00 0.00 C -ATOM 765 C ARG A 45 9.286 -5.313 11.370 1.00 0.00 C -ATOM 766 O ARG A 45 10.433 -4.864 11.282 1.00 0.00 O -ATOM 767 CB ARG A 45 7.598 -5.448 13.175 1.00 0.00 C -ATOM 768 CG ARG A 45 6.491 -4.814 13.983 1.00 0.00 C -ATOM 769 CD ARG A 45 5.876 -5.833 14.906 1.00 0.00 C -ATOM 770 NE ARG A 45 4.760 -5.291 15.673 1.00 0.00 N -ATOM 771 CZ ARG A 45 3.835 -6.033 16.293 1.00 0.00 C -ATOM 772 NH1 ARG A 45 3.868 -7.366 16.210 1.00 0.00 N -ATOM 773 NH2 ARG A 45 2.888 -5.446 16.999 1.00 0.00 N -ATOM 774 H ARG A 45 6.241 -4.468 11.350 1.00 0.00 H -ATOM 775 HA ARG A 45 8.622 -3.685 12.593 1.00 0.00 H -ATOM 776 HB2 ARG A 45 7.202 -6.334 12.701 1.00 0.00 H -ATOM 777 HB3 ARG A 45 8.383 -5.742 13.851 1.00 0.00 H -ATOM 778 HG2 ARG A 45 6.897 -4.002 14.569 1.00 0.00 H -ATOM 779 HG3 ARG A 45 5.732 -4.437 13.315 1.00 0.00 H -ATOM 780 HD2 ARG A 45 5.513 -6.657 14.310 1.00 0.00 H -ATOM 781 HD3 ARG A 45 6.637 -6.188 15.587 1.00 0.00 H -ATOM 782 HE ARG A 45 4.734 -4.306 15.725 1.00 0.00 H -ATOM 783 HH11 ARG A 45 4.576 -7.853 15.691 1.00 0.00 H -ATOM 784 HH12 ARG A 45 3.184 -7.929 16.678 1.00 0.00 H -ATOM 785 HH21 ARG A 45 2.840 -4.449 17.098 1.00 0.00 H -ATOM 786 HH22 ARG A 45 2.170 -5.972 17.463 1.00 0.00 H -ATOM 787 N GLY A 46 8.925 -6.450 10.838 1.00 0.00 N -ATOM 788 CA GLY A 46 9.885 -7.280 10.174 1.00 0.00 C -ATOM 789 C GLY A 46 9.590 -7.399 8.724 1.00 0.00 C -ATOM 790 O GLY A 46 9.311 -8.486 8.233 1.00 0.00 O -ATOM 791 H GLY A 46 7.985 -6.721 10.888 1.00 0.00 H -ATOM 792 HA2 GLY A 46 10.865 -6.846 10.297 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.873 -8.264 10.620 1.00 0.00 H -ATOM 794 N MET A 47 9.613 -6.287 8.038 1.00 0.00 N -ATOM 795 CA MET A 47 9.337 -6.244 6.615 1.00 0.00 C -ATOM 796 C MET A 47 10.274 -5.247 5.953 1.00 0.00 C -ATOM 797 O MET A 47 10.558 -4.186 6.538 1.00 0.00 O -ATOM 798 CB MET A 47 7.881 -5.837 6.347 1.00 0.00 C -ATOM 799 CG MET A 47 6.817 -6.829 6.819 1.00 0.00 C -ATOM 800 SD MET A 47 6.863 -8.412 5.950 1.00 0.00 S -ATOM 801 CE MET A 47 6.488 -7.897 4.271 1.00 0.00 C -ATOM 802 H MET A 47 9.855 -5.449 8.490 1.00 0.00 H -ATOM 803 HA MET A 47 9.514 -7.228 6.208 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.715 -4.900 6.855 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.758 -5.675 5.286 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.969 -7.019 7.871 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.844 -6.383 6.676 1.00 0.00 H -ATOM 808 HE1 MET A 47 7.231 -7.194 3.925 1.00 0.00 H -ATOM 809 HE2 MET A 47 5.513 -7.434 4.249 1.00 0.00 H -ATOM 810 HE3 MET A 47 6.484 -8.763 3.627 1.00 0.00 H -ATOM 811 N PRO A 48 10.776 -5.563 4.747 1.00 0.00 N -ATOM 812 CA PRO A 48 11.702 -4.691 4.013 1.00 0.00 C -ATOM 813 C PRO A 48 11.031 -3.406 3.502 1.00 0.00 C -ATOM 814 O PRO A 48 10.345 -3.414 2.462 1.00 0.00 O -ATOM 815 CB PRO A 48 12.177 -5.565 2.847 1.00 0.00 C -ATOM 816 CG PRO A 48 11.091 -6.567 2.648 1.00 0.00 C -ATOM 817 CD PRO A 48 10.494 -6.812 4.003 1.00 0.00 C -ATOM 818 HA PRO A 48 12.543 -4.419 4.633 1.00 0.00 H -ATOM 819 HB2 PRO A 48 12.322 -4.955 1.967 1.00 0.00 H -ATOM 820 HB3 PRO A 48 13.103 -6.047 3.118 1.00 0.00 H -ATOM 821 HG2 PRO A 48 10.342 -6.174 1.976 1.00 0.00 H -ATOM 822 HG3 PRO A 48 11.506 -7.483 2.255 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.430 -6.977 3.922 1.00 0.00 H -ATOM 824 HD3 PRO A 48 10.969 -7.657 4.479 1.00 0.00 H -ATOM 825 N ASP A 49 11.177 -2.330 4.296 1.00 0.00 N -ATOM 826 CA ASP A 49 10.625 -0.988 4.008 1.00 0.00 C -ATOM 827 C ASP A 49 9.173 -1.045 3.606 1.00 0.00 C -ATOM 828 O ASP A 49 8.743 -0.393 2.654 1.00 0.00 O -ATOM 829 CB ASP A 49 11.447 -0.203 2.964 1.00 0.00 C -ATOM 830 CG ASP A 49 12.799 0.249 3.477 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.857 1.025 4.466 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.834 -0.131 2.884 1.00 0.00 O -ATOM 833 H ASP A 49 11.680 -2.453 5.129 1.00 0.00 H -ATOM 834 HA ASP A 49 10.665 -0.450 4.944 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.601 -0.827 2.096 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.884 0.669 2.666 1.00 0.00 H -ATOM 837 N CYS A 50 8.415 -1.816 4.327 1.00 0.00 N -ATOM 838 CA CYS A 50 7.022 -1.942 4.040 1.00 0.00 C -ATOM 839 C CYS A 50 6.241 -1.085 5.002 1.00 0.00 C -ATOM 840 O CYS A 50 6.597 -0.979 6.187 1.00 0.00 O -ATOM 841 CB CYS A 50 6.588 -3.394 4.121 1.00 0.00 C -ATOM 842 SG CYS A 50 7.534 -4.509 3.052 1.00 0.00 S -ATOM 843 H CYS A 50 8.802 -2.295 5.087 1.00 0.00 H -ATOM 844 HA CYS A 50 6.850 -1.574 3.042 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.714 -3.734 5.138 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.548 -3.468 3.841 1.00 0.00 H -ATOM 847 HG CYS A 50 8.631 -3.868 2.660 1.00 0.00 H -ATOM 848 N TYR A 51 5.206 -0.477 4.511 1.00 0.00 N -ATOM 849 CA TYR A 51 4.408 0.430 5.287 1.00 0.00 C -ATOM 850 C TYR A 51 2.962 0.066 5.124 1.00 0.00 C -ATOM 851 O TYR A 51 2.578 -0.570 4.124 1.00 0.00 O -ATOM 852 CB TYR A 51 4.608 1.891 4.829 1.00 0.00 C -ATOM 853 CG TYR A 51 6.031 2.416 4.885 1.00 0.00 C -ATOM 854 CD1 TYR A 51 6.985 2.009 3.968 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.411 3.326 5.842 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.273 2.484 4.014 1.00 0.00 C -ATOM 857 CE2 TYR A 51 7.697 3.809 5.888 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.623 3.381 4.973 1.00 0.00 C -ATOM 859 OH TYR A 51 9.913 3.852 5.030 1.00 0.00 O -ATOM 860 H TYR A 51 4.936 -0.655 3.579 1.00 0.00 H -ATOM 861 HA TYR A 51 4.694 0.346 6.325 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.259 2.003 3.813 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.008 2.517 5.476 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.706 1.294 3.209 1.00 0.00 H -ATOM 865 HD2 TYR A 51 5.685 3.663 6.567 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.000 2.150 3.289 1.00 0.00 H -ATOM 867 HE2 TYR A 51 7.975 4.523 6.651 1.00 0.00 H -ATOM 868 HH TYR A 51 10.222 4.018 4.133 1.00 0.00 H -ATOM 869 N LYS A 52 2.175 0.447 6.081 1.00 0.00 N -ATOM 870 CA LYS A 52 0.767 0.193 6.054 1.00 0.00 C -ATOM 871 C LYS A 52 -0.009 1.486 6.244 1.00 0.00 C -ATOM 872 O LYS A 52 0.364 2.342 7.049 1.00 0.00 O -ATOM 873 CB LYS A 52 0.390 -0.830 7.145 1.00 0.00 C -ATOM 874 CG LYS A 52 0.903 -0.463 8.536 1.00 0.00 C -ATOM 875 CD LYS A 52 0.513 -1.488 9.584 1.00 0.00 C -ATOM 876 CE LYS A 52 1.227 -1.212 10.896 1.00 0.00 C -ATOM 877 NZ LYS A 52 0.894 -2.208 11.936 1.00 0.00 N -ATOM 878 H LYS A 52 2.553 0.934 6.844 1.00 0.00 H -ATOM 879 HA LYS A 52 0.518 -0.227 5.091 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.686 -0.911 7.190 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.802 -1.791 6.875 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.980 -0.396 8.502 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.494 0.499 8.810 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -0.553 -1.432 9.748 1.00 0.00 H -ATOM 885 HD3 LYS A 52 0.771 -2.480 9.243 1.00 0.00 H -ATOM 886 HE2 LYS A 52 2.292 -1.238 10.720 1.00 0.00 H -ATOM 887 HE3 LYS A 52 0.951 -0.227 11.235 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 1.335 -1.960 12.845 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 1.219 -3.165 11.689 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 -0.131 -2.259 12.094 1.00 0.00 H -ATOM 891 N ILE A 53 -1.063 1.616 5.502 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.965 2.729 5.611 1.00 0.00 C -ATOM 893 C ILE A 53 -3.264 2.199 6.152 1.00 0.00 C -ATOM 894 O ILE A 53 -3.704 1.107 5.768 1.00 0.00 O -ATOM 895 CB ILE A 53 -2.202 3.432 4.234 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.905 4.090 3.749 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -3.343 4.464 4.307 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -1.023 4.767 2.401 1.00 0.00 C -ATOM 899 H ILE A 53 -1.251 0.915 4.838 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.546 3.435 6.312 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.491 2.674 3.522 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.607 4.841 4.466 1.00 0.00 H -ATOM 903 HG13 ILE A 53 -0.134 3.338 3.685 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -3.492 4.912 3.336 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -3.095 5.242 5.014 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -4.256 3.980 4.622 1.00 0.00 H -ATOM 907 HD11 ILE A 53 -1.273 4.026 1.657 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -0.092 5.252 2.146 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -1.810 5.505 2.442 1.00 0.00 H -ATOM 910 N LYS A 54 -3.855 2.928 7.040 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.069 2.524 7.656 1.00 0.00 C -ATOM 912 C LYS A 54 -6.116 3.607 7.498 1.00 0.00 C -ATOM 913 O LYS A 54 -5.896 4.766 7.862 1.00 0.00 O -ATOM 914 CB LYS A 54 -4.879 2.123 9.151 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.314 3.211 10.065 1.00 0.00 C -ATOM 916 CD LYS A 54 -2.822 3.455 9.873 1.00 0.00 C -ATOM 917 CE LYS A 54 -2.409 4.695 10.620 1.00 0.00 C -ATOM 918 NZ LYS A 54 -0.977 5.027 10.446 1.00 0.00 N -ATOM 919 H LYS A 54 -3.484 3.808 7.273 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.400 1.657 7.111 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.837 1.826 9.551 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.216 1.271 9.193 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.835 4.133 9.849 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -4.503 2.939 11.092 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -2.275 2.609 10.265 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -2.601 3.576 8.825 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -3.014 5.491 10.218 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -2.639 4.553 11.665 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -0.363 4.256 10.772 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -0.724 5.860 11.014 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -0.727 5.240 9.459 1.00 0.00 H -ATOM 932 N LEU A 55 -7.228 3.239 6.921 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.327 4.138 6.726 1.00 0.00 C -ATOM 934 C LEU A 55 -9.108 4.164 8.041 1.00 0.00 C -ATOM 935 O LEU A 55 -10.005 3.333 8.275 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.206 3.642 5.558 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.852 4.703 4.646 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -10.644 4.032 3.545 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -10.739 5.672 5.409 1.00 0.00 C -ATOM 940 H LEU A 55 -7.320 2.308 6.613 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.935 5.120 6.509 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.597 3.001 4.938 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.996 3.039 5.981 1.00 0.00 H -ATOM 944 HG LEU A 55 -9.063 5.263 4.165 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -11.084 4.781 2.906 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -11.428 3.431 3.982 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -9.989 3.403 2.962 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.151 6.379 4.703 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -10.153 6.197 6.149 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -11.542 5.131 5.888 1.00 0.00 H -ATOM 951 N ARG A 56 -8.728 5.105 8.886 1.00 0.00 N -ATOM 952 CA ARG A 56 -9.202 5.264 10.278 1.00 0.00 C -ATOM 953 C ARG A 56 -10.700 5.550 10.377 1.00 0.00 C -ATOM 954 O ARG A 56 -11.263 5.582 11.476 1.00 0.00 O -ATOM 955 CB ARG A 56 -8.417 6.409 10.942 1.00 0.00 C -ATOM 956 CG ARG A 56 -6.910 6.174 11.027 1.00 0.00 C -ATOM 957 CD ARG A 56 -6.540 5.170 12.111 1.00 0.00 C -ATOM 958 NE ARG A 56 -6.768 5.726 13.449 1.00 0.00 N -ATOM 959 CZ ARG A 56 -6.379 5.179 14.606 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -5.767 3.999 14.636 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -6.590 5.836 15.739 1.00 0.00 N -ATOM 962 H ARG A 56 -8.064 5.744 8.544 1.00 0.00 H -ATOM 963 HA ARG A 56 -8.978 4.357 10.817 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -8.585 7.316 10.377 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -8.793 6.549 11.944 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -6.562 5.799 10.075 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -6.424 7.116 11.240 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -7.142 4.281 11.991 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -5.496 4.913 12.013 1.00 0.00 H -ATOM 970 HE ARG A 56 -7.217 6.601 13.467 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -5.565 3.459 13.815 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -5.456 3.598 15.502 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -7.035 6.737 15.741 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -6.294 5.459 16.621 1.00 0.00 H -ATOM 975 N SER A 57 -11.318 5.788 9.266 1.00 0.00 N -ATOM 976 CA SER A 57 -12.720 6.088 9.223 1.00 0.00 C -ATOM 977 C SER A 57 -13.557 4.855 8.822 1.00 0.00 C -ATOM 978 O SER A 57 -14.776 4.835 9.010 1.00 0.00 O -ATOM 979 CB SER A 57 -12.919 7.219 8.227 1.00 0.00 C -ATOM 980 OG SER A 57 -12.023 8.287 8.516 1.00 0.00 O -ATOM 981 H SER A 57 -10.810 5.804 8.430 1.00 0.00 H -ATOM 982 HA SER A 57 -13.030 6.437 10.197 1.00 0.00 H -ATOM 983 HB2 SER A 57 -12.725 6.857 7.228 1.00 0.00 H -ATOM 984 HB3 SER A 57 -13.930 7.590 8.293 1.00 0.00 H -ATOM 985 HG SER A 57 -12.542 8.947 8.992 1.00 0.00 H -ATOM 986 N SER A 58 -12.912 3.812 8.326 1.00 0.00 N -ATOM 987 CA SER A 58 -13.668 2.689 7.822 1.00 0.00 C -ATOM 988 C SER A 58 -13.115 1.330 8.290 1.00 0.00 C -ATOM 989 O SER A 58 -13.888 0.411 8.576 1.00 0.00 O -ATOM 990 CB SER A 58 -13.755 2.767 6.286 1.00 0.00 C -ATOM 991 OG SER A 58 -14.610 1.768 5.762 1.00 0.00 O -ATOM 992 H SER A 58 -11.931 3.798 8.332 1.00 0.00 H -ATOM 993 HA SER A 58 -14.670 2.788 8.212 1.00 0.00 H -ATOM 994 HB2 SER A 58 -14.144 3.734 6.001 1.00 0.00 H -ATOM 995 HB3 SER A 58 -12.768 2.641 5.868 1.00 0.00 H -ATOM 996 HG SER A 58 -15.231 1.517 6.459 1.00 0.00 H -ATOM 997 N GLY A 59 -11.809 1.202 8.405 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.251 -0.078 8.786 1.00 0.00 C -ATOM 999 C GLY A 59 -10.672 -0.821 7.599 1.00 0.00 C -ATOM 1000 O GLY A 59 -10.681 -2.067 7.552 1.00 0.00 O -ATOM 1001 H GLY A 59 -11.209 1.970 8.275 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.467 0.082 9.512 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -12.029 -0.681 9.228 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.219 -0.069 6.625 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.536 -0.614 5.470 1.00 0.00 C -ATOM 1006 C TYR A 60 -8.066 -0.332 5.601 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.681 0.683 6.175 1.00 0.00 O -ATOM 1008 CB TYR A 60 -10.074 -0.045 4.160 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.398 -0.629 3.723 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.600 -0.138 4.203 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.438 -1.668 2.804 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.806 -0.664 3.779 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.635 -2.200 2.380 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.815 -1.692 2.869 1.00 0.00 C -ATOM 1015 OH TYR A 60 -15.011 -2.220 2.440 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.322 0.903 6.688 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.681 -1.684 5.486 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.211 1.020 4.271 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.354 -0.227 3.377 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.585 0.670 4.919 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.508 -2.064 2.422 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.735 -0.267 4.161 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.645 -3.008 1.664 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.638 -1.509 2.247 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.252 -1.227 5.119 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.821 -1.118 5.254 1.00 0.00 C -ATOM 1027 C ARG A 61 -5.148 -1.440 3.935 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.643 -2.261 3.161 1.00 0.00 O -ATOM 1029 CB ARG A 61 -5.359 -2.084 6.337 1.00 0.00 C -ATOM 1030 CG ARG A 61 -6.018 -1.816 7.676 1.00 0.00 C -ATOM 1031 CD ARG A 61 -5.833 -2.952 8.627 1.00 0.00 C -ATOM 1032 NE ARG A 61 -4.433 -3.146 9.016 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -4.028 -3.697 10.170 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -4.906 -4.079 11.093 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -2.749 -3.887 10.382 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.612 -2.002 4.633 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.572 -0.112 5.557 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.597 -3.090 6.028 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -4.289 -1.994 6.460 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -5.582 -0.928 8.108 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -7.075 -1.656 7.513 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -6.465 -2.794 9.486 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.171 -3.827 8.090 1.00 0.00 H -ATOM 1044 HE ARG A 61 -3.781 -2.858 8.341 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -5.904 -3.990 11.010 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -4.599 -4.503 11.949 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -2.039 -3.654 9.712 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -2.432 -4.266 11.257 1.00 0.00 H -ATOM 1049 N LEU A 62 -4.050 -0.800 3.685 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.299 -0.989 2.470 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.836 -1.200 2.855 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.316 -0.474 3.699 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.515 0.258 1.560 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.921 0.252 0.134 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.585 1.331 -0.702 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.437 0.518 0.160 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.707 -0.161 4.349 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.670 -1.872 1.973 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.579 0.415 1.465 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.111 1.111 2.085 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.098 -0.707 -0.329 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -4.644 1.136 -0.767 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.159 1.322 -1.695 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.421 2.294 -0.241 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.268 1.477 0.623 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.057 0.531 -0.851 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -0.936 -0.253 0.728 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.192 -2.202 2.274 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.197 -2.510 2.597 1.00 0.00 C -ATOM 1070 C VAL A 63 1.052 -2.443 1.332 1.00 0.00 C -ATOM 1071 O VAL A 63 0.720 -3.061 0.296 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.346 -3.917 3.262 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.801 -4.203 3.629 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.538 -4.032 4.501 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.632 -2.752 1.587 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.550 -1.758 3.287 1.00 0.00 H -ATOM 1077 HB VAL A 63 0.028 -4.661 2.545 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.151 -3.449 4.320 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.410 -4.182 2.739 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 1.876 -5.175 4.095 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.244 -3.280 5.218 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.422 -5.013 4.938 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -1.569 -3.880 4.220 1.00 0.00 H -ATOM 1084 N TYR A 64 2.128 -1.707 1.405 1.00 0.00 N -ATOM 1085 CA TYR A 64 3.009 -1.524 0.278 1.00 0.00 C -ATOM 1086 C TYR A 64 4.451 -1.570 0.715 1.00 0.00 C -ATOM 1087 O TYR A 64 4.751 -1.364 1.895 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.715 -0.195 -0.451 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.821 1.062 0.392 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.047 1.577 0.791 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.690 1.735 0.772 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.123 2.722 1.544 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.757 2.874 1.520 1.00 0.00 C -ATOM 1094 CZ TYR A 64 2.974 3.366 1.905 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.040 4.501 2.661 1.00 0.00 O -ATOM 1096 H TYR A 64 2.362 -1.278 2.262 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.832 -2.336 -0.411 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.388 -0.083 -1.285 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.705 -0.242 -0.830 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.952 1.063 0.501 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.731 1.345 0.471 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.084 3.110 1.847 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.844 3.380 1.792 1.00 0.00 H -ATOM 1104 HH TYR A 64 3.717 5.086 2.314 1.00 0.00 H -ATOM 1105 N GLN A 65 5.332 -1.843 -0.205 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.733 -1.799 0.080 1.00 0.00 C -ATOM 1107 C GLN A 65 7.328 -0.606 -0.658 1.00 0.00 C -ATOM 1108 O GLN A 65 6.933 -0.306 -1.794 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.458 -3.103 -0.312 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.593 -3.346 -1.806 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.448 -4.552 -2.118 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.956 -5.668 -2.302 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.741 -4.350 -2.117 1.00 0.00 N -ATOM 1114 H GLN A 65 5.029 -2.050 -1.119 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.843 -1.625 1.139 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.451 -3.084 0.111 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.919 -3.934 0.121 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.610 -3.506 -2.220 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 8.040 -2.475 -2.263 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 10.071 -3.450 -1.913 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 10.340 -5.101 -2.305 1.00 0.00 H -ATOM 1122 N VAL A 66 8.204 0.101 -0.025 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.847 1.218 -0.660 1.00 0.00 C -ATOM 1124 C VAL A 66 10.235 0.818 -1.060 1.00 0.00 C -ATOM 1125 O VAL A 66 11.085 0.556 -0.214 1.00 0.00 O -ATOM 1126 CB VAL A 66 8.906 2.478 0.253 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.650 3.626 -0.430 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.512 2.921 0.627 1.00 0.00 C -ATOM 1129 H VAL A 66 8.454 -0.126 0.901 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.288 1.458 -1.553 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.437 2.221 1.157 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 9.656 4.488 0.220 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 9.160 3.874 -1.360 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 10.666 3.321 -0.633 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.566 3.796 1.257 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.021 2.122 1.162 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 6.948 3.148 -0.264 1.00 0.00 H -ATOM 1138 N ILE A 67 10.464 0.735 -2.327 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.761 0.425 -2.811 1.00 0.00 C -ATOM 1140 C ILE A 67 12.411 1.752 -3.096 1.00 0.00 C -ATOM 1141 O ILE A 67 12.222 2.335 -4.174 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.702 -0.413 -4.113 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.753 -1.608 -3.930 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 13.104 -0.909 -4.468 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 10.491 -2.399 -5.197 1.00 0.00 C -ATOM 1146 H ILE A 67 9.746 0.932 -2.973 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.307 -0.107 -2.047 1.00 0.00 H -ATOM 1148 HB ILE A 67 11.338 0.211 -4.915 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 11.175 -2.286 -3.202 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.804 -1.244 -3.561 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 13.066 -1.469 -5.390 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 13.460 -1.557 -3.681 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.772 -0.068 -4.580 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 10.012 -1.760 -5.923 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.853 -3.242 -4.976 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 11.430 -2.750 -5.596 1.00 0.00 H -ATOM 1157 N ASP A 68 13.155 2.243 -2.136 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.740 3.580 -2.232 1.00 0.00 C -ATOM 1159 C ASP A 68 14.811 3.600 -3.284 1.00 0.00 C -ATOM 1160 O ASP A 68 14.957 4.564 -4.020 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.309 4.023 -0.894 1.00 0.00 C -ATOM 1162 CG ASP A 68 14.760 5.464 -0.920 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 15.900 5.747 -1.299 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 13.968 6.344 -0.539 1.00 0.00 O -ATOM 1165 H ASP A 68 13.310 1.700 -1.331 1.00 0.00 H -ATOM 1166 HA ASP A 68 12.954 4.261 -2.524 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 13.551 3.915 -0.132 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.156 3.401 -0.644 1.00 0.00 H -ATOM 1169 N GLU A 69 15.493 2.479 -3.388 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.565 2.270 -4.341 1.00 0.00 C -ATOM 1171 C GLU A 69 16.074 2.477 -5.781 1.00 0.00 C -ATOM 1172 O GLU A 69 16.796 3.004 -6.621 1.00 0.00 O -ATOM 1173 CB GLU A 69 17.111 0.861 -4.151 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.634 0.624 -2.744 1.00 0.00 C -ATOM 1175 CD GLU A 69 18.025 -0.802 -2.479 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 19.140 -1.215 -2.855 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 17.225 -1.541 -1.880 1.00 0.00 O -ATOM 1178 H GLU A 69 15.269 1.763 -2.760 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.353 2.978 -4.130 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 16.325 0.148 -4.352 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.921 0.704 -4.846 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 18.501 1.247 -2.588 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 16.866 0.907 -2.040 1.00 0.00 H -ATOM 1184 N LYS A 70 14.833 2.090 -6.044 1.00 0.00 N -ATOM 1185 CA LYS A 70 14.237 2.245 -7.375 1.00 0.00 C -ATOM 1186 C LYS A 70 13.263 3.421 -7.385 1.00 0.00 C -ATOM 1187 O LYS A 70 12.649 3.717 -8.416 1.00 0.00 O -ATOM 1188 CB LYS A 70 13.486 0.978 -7.775 1.00 0.00 C -ATOM 1189 CG LYS A 70 14.335 -0.271 -7.897 1.00 0.00 C -ATOM 1190 CD LYS A 70 13.450 -1.466 -8.204 1.00 0.00 C -ATOM 1191 CE LYS A 70 14.240 -2.754 -8.272 1.00 0.00 C -ATOM 1192 NZ LYS A 70 13.360 -3.913 -8.463 1.00 0.00 N -ATOM 1193 H LYS A 70 14.293 1.705 -5.323 1.00 0.00 H -ATOM 1194 HA LYS A 70 15.030 2.428 -8.085 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.745 0.779 -7.016 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.988 1.148 -8.718 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 15.049 -0.136 -8.696 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.854 -0.443 -6.965 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 12.695 -1.559 -7.439 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.970 -1.298 -9.157 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 14.928 -2.698 -9.102 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 14.796 -2.878 -7.354 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 13.909 -4.791 -8.525 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 12.778 -3.832 -9.319 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 12.698 -4.023 -7.666 1.00 0.00 H -ATOM 1206 N VAL A 71 13.125 4.051 -6.210 1.00 0.00 N -ATOM 1207 CA VAL A 71 12.237 5.200 -5.929 1.00 0.00 C -ATOM 1208 C VAL A 71 10.766 4.898 -6.311 1.00 0.00 C -ATOM 1209 O VAL A 71 10.011 5.752 -6.777 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.794 6.597 -6.478 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 12.802 6.735 -7.993 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 12.109 7.791 -5.818 1.00 0.00 C -ATOM 1213 H VAL A 71 13.650 3.720 -5.452 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.222 5.238 -4.847 1.00 0.00 H -ATOM 1215 HB VAL A 71 13.832 6.628 -6.184 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 11.792 6.653 -8.366 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 13.406 5.947 -8.419 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 13.213 7.697 -8.265 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 11.051 7.744 -6.021 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 12.515 8.709 -6.216 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 12.271 7.759 -4.750 1.00 0.00 H -ATOM 1222 N VAL A 72 10.350 3.683 -6.017 1.00 0.00 N -ATOM 1223 CA VAL A 72 9.006 3.247 -6.323 1.00 0.00 C -ATOM 1224 C VAL A 72 8.336 2.641 -5.087 1.00 0.00 C -ATOM 1225 O VAL A 72 8.963 1.926 -4.295 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.979 2.234 -7.535 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.814 0.998 -7.253 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 7.552 1.827 -7.909 1.00 0.00 C -ATOM 1229 H VAL A 72 10.956 3.070 -5.545 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.435 4.123 -6.601 1.00 0.00 H -ATOM 1231 HB VAL A 72 9.422 2.733 -8.384 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 9.417 0.487 -6.388 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 10.830 1.299 -7.053 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 9.785 0.338 -8.108 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.976 2.701 -8.176 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 7.084 1.337 -7.068 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 7.581 1.146 -8.747 1.00 0.00 H -ATOM 1238 N VAL A 73 7.098 2.977 -4.917 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.261 2.466 -3.884 1.00 0.00 C -ATOM 1240 C VAL A 73 5.363 1.425 -4.527 1.00 0.00 C -ATOM 1241 O VAL A 73 4.556 1.746 -5.410 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.402 3.600 -3.271 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.484 3.072 -2.193 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.281 4.713 -2.723 1.00 0.00 C -ATOM 1245 H VAL A 73 6.686 3.616 -5.536 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.874 2.013 -3.118 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.795 4.013 -4.062 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 3.913 3.888 -1.774 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 5.067 2.606 -1.412 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.808 2.347 -2.619 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 6.854 5.147 -3.530 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 6.960 4.309 -1.990 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 5.662 5.474 -2.271 1.00 0.00 H -ATOM 1254 N PHE A 74 5.518 0.208 -4.122 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.820 -0.886 -4.730 1.00 0.00 C -ATOM 1256 C PHE A 74 3.775 -1.442 -3.775 1.00 0.00 C -ATOM 1257 O PHE A 74 4.119 -2.004 -2.726 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.837 -1.967 -5.126 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.257 -3.149 -5.839 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 5.110 -3.137 -7.211 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 4.873 -4.276 -5.139 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.587 -4.228 -7.872 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.349 -5.363 -5.787 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.204 -5.344 -7.159 1.00 0.00 C -ATOM 1265 H PHE A 74 6.111 0.022 -3.359 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.335 -0.527 -5.626 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.580 -1.528 -5.774 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.328 -2.321 -4.232 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 5.408 -2.262 -7.769 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 4.987 -4.293 -4.065 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.479 -4.204 -8.946 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.053 -6.228 -5.215 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.795 -6.201 -7.672 1.00 0.00 H -ATOM 1274 N VAL A 75 2.518 -1.264 -4.115 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.424 -1.778 -3.317 1.00 0.00 C -ATOM 1276 C VAL A 75 1.290 -3.268 -3.565 1.00 0.00 C -ATOM 1277 O VAL A 75 1.085 -3.703 -4.705 1.00 0.00 O -ATOM 1278 CB VAL A 75 0.084 -1.059 -3.641 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.061 -1.616 -2.800 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.217 0.448 -3.434 1.00 0.00 C -ATOM 1281 H VAL A 75 2.318 -0.777 -4.947 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.668 -1.627 -2.277 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.153 -1.238 -4.678 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.189 -2.665 -3.019 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -1.974 -1.085 -3.027 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -0.827 -1.496 -1.752 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.985 0.832 -4.092 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 0.490 0.652 -2.410 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 -0.723 0.928 -3.660 1.00 0.00 H -ATOM 1290 N ILE A 76 1.404 -4.041 -2.510 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.376 -5.483 -2.629 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.038 -5.998 -2.417 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.509 -6.879 -3.136 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.320 -6.149 -1.581 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.728 -5.536 -1.664 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.391 -7.674 -1.803 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.684 -6.040 -0.604 1.00 0.00 C -ATOM 1298 H ILE A 76 1.501 -3.632 -1.622 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.716 -5.754 -3.619 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.914 -5.966 -0.596 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.156 -5.772 -2.627 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.652 -4.463 -1.565 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 1.405 -8.102 -1.707 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 3.046 -8.120 -1.070 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 2.778 -7.881 -2.789 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 4.798 -7.109 -0.705 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.275 -5.819 0.371 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 5.643 -5.558 -0.720 1.00 0.00 H -ATOM 1309 N SER A 77 -0.719 -5.448 -1.439 1.00 0.00 N -ATOM 1310 CA SER A 77 -2.049 -5.890 -1.097 1.00 0.00 C -ATOM 1311 C SER A 77 -2.849 -4.732 -0.503 1.00 0.00 C -ATOM 1312 O SER A 77 -2.277 -3.835 0.144 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.947 -7.061 -0.109 1.00 0.00 C -ATOM 1314 OG SER A 77 -1.237 -8.144 -0.687 1.00 0.00 O -ATOM 1315 H SER A 77 -0.345 -4.711 -0.909 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.534 -6.235 -1.998 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.397 -6.740 0.765 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -2.934 -7.398 0.169 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.989 -7.873 -1.581 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.148 -4.730 -0.732 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.007 -3.663 -0.259 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.381 -4.216 0.111 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.866 -5.142 -0.522 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.145 -2.527 -1.336 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.680 -3.061 -2.652 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.022 -1.387 -0.840 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.575 -5.466 -1.227 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.553 -3.244 0.627 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.156 -2.137 -1.527 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -6.655 -3.497 -2.489 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.006 -3.816 -3.028 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -5.757 -2.255 -3.367 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -6.084 -0.623 -1.601 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -5.594 -0.969 0.059 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -7.011 -1.763 -0.625 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.958 -3.711 1.175 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.284 -4.094 1.528 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.441 -4.118 3.001 1.00 0.00 C -ATOM 1339 O GLY A 79 -8.627 -3.086 3.632 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.480 -3.094 1.779 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.980 -3.388 1.103 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.488 -5.078 1.134 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.326 -5.263 3.560 1.00 0.00 N -ATOM 1344 CA LYS A 80 -8.446 -5.441 4.972 1.00 0.00 C -ATOM 1345 C LYS A 80 -7.392 -6.379 5.448 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.028 -7.313 4.739 1.00 0.00 O -ATOM 1347 CB LYS A 80 -9.836 -5.971 5.344 1.00 0.00 C -ATOM 1348 CG LYS A 80 -10.932 -4.920 5.325 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.283 -5.530 5.616 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.319 -4.466 5.915 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -13.035 -3.761 7.194 1.00 0.00 N -ATOM 1352 H LYS A 80 -8.127 -6.056 3.014 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.306 -4.479 5.442 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.105 -6.746 4.642 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -9.789 -6.401 6.333 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -10.717 -4.170 6.073 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -10.950 -4.460 4.348 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -12.603 -6.095 4.753 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -12.202 -6.191 6.466 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -13.320 -3.748 5.109 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -14.287 -4.937 5.979 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -12.103 -3.298 7.204 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -13.074 -4.435 7.986 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -13.764 -3.041 7.371 1.00 0.00 H -ATOM 1365 N ALA A 81 -6.878 -6.138 6.617 1.00 0.00 N -ATOM 1366 CA ALA A 81 -5.921 -7.032 7.189 1.00 0.00 C -ATOM 1367 C ALA A 81 -6.659 -7.968 8.091 1.00 0.00 C -ATOM 1368 O ALA A 81 -6.727 -7.777 9.312 1.00 0.00 O -ATOM 1369 CB ALA A 81 -4.814 -6.302 7.920 1.00 0.00 C -ATOM 1370 H ALA A 81 -7.194 -5.362 7.127 1.00 0.00 H -ATOM 1371 HA ALA A 81 -5.499 -7.602 6.375 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -5.234 -5.749 8.747 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -4.335 -5.613 7.240 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -4.091 -7.015 8.290 1.00 0.00 H -ATOM 1375 N GLU A 82 -7.291 -8.917 7.480 1.00 0.00 N -ATOM 1376 CA GLU A 82 -8.108 -9.825 8.172 1.00 0.00 C -ATOM 1377 C GLU A 82 -7.307 -11.074 8.427 1.00 0.00 C -ATOM 1378 O GLU A 82 -7.004 -11.841 7.491 1.00 0.00 O -ATOM 1379 CB GLU A 82 -9.368 -10.109 7.362 1.00 0.00 C -ATOM 1380 CG GLU A 82 -10.520 -10.574 8.213 1.00 0.00 C -ATOM 1381 CD GLU A 82 -10.844 -9.553 9.276 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -11.599 -8.594 8.998 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -10.334 -9.683 10.412 1.00 0.00 O -ATOM 1384 H GLU A 82 -7.184 -9.027 6.512 1.00 0.00 H -ATOM 1385 HA GLU A 82 -8.385 -9.383 9.118 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -9.663 -9.202 6.855 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -9.151 -10.872 6.630 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -11.387 -10.718 7.585 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -10.252 -11.502 8.694 1.00 0.00 H -ATOM 1390 N ALA A 83 -6.922 -11.230 9.677 1.00 0.00 N -ATOM 1391 CA ALA A 83 -6.066 -12.295 10.155 1.00 0.00 C -ATOM 1392 C ALA A 83 -4.619 -12.083 9.706 1.00 0.00 C -ATOM 1393 O ALA A 83 -3.846 -11.442 10.420 1.00 0.00 O -ATOM 1394 CB ALA A 83 -6.596 -13.705 9.840 1.00 0.00 C -ATOM 1395 H ALA A 83 -7.227 -10.567 10.332 1.00 0.00 H -ATOM 1396 HA ALA A 83 -6.051 -12.167 11.229 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -6.599 -13.853 8.772 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -7.601 -13.806 10.221 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -5.956 -14.440 10.305 1.00 0.00 H -ATOM 1400 N SER A 84 -4.234 -12.561 8.530 1.00 0.00 N -ATOM 1401 CA SER A 84 -2.843 -12.392 8.105 1.00 0.00 C -ATOM 1402 C SER A 84 -2.645 -12.369 6.577 1.00 0.00 C -ATOM 1403 O SER A 84 -1.510 -12.280 6.138 1.00 0.00 O -ATOM 1404 CB SER A 84 -1.969 -13.519 8.698 1.00 0.00 C -ATOM 1405 OG SER A 84 -2.045 -13.557 10.129 1.00 0.00 O -ATOM 1406 H SER A 84 -4.875 -13.043 7.963 1.00 0.00 H -ATOM 1407 HA SER A 84 -2.484 -11.462 8.517 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -2.304 -14.469 8.308 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -0.941 -13.360 8.408 1.00 0.00 H -ATOM 1410 HG SER A 84 -2.577 -12.797 10.406 1.00 0.00 H -ATOM 1411 N GLU A 85 -3.722 -12.352 5.776 1.00 0.00 N -ATOM 1412 CA GLU A 85 -3.569 -12.525 4.309 1.00 0.00 C -ATOM 1413 C GLU A 85 -2.653 -11.477 3.665 1.00 0.00 C -ATOM 1414 O GLU A 85 -1.715 -11.841 2.971 1.00 0.00 O -ATOM 1415 CB GLU A 85 -4.922 -12.578 3.585 1.00 0.00 C -ATOM 1416 CG GLU A 85 -4.811 -12.850 2.086 1.00 0.00 C -ATOM 1417 CD GLU A 85 -6.143 -12.835 1.386 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -6.879 -13.850 1.449 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -6.486 -11.811 0.745 1.00 0.00 O -ATOM 1420 H GLU A 85 -4.620 -12.230 6.149 1.00 0.00 H -ATOM 1421 HA GLU A 85 -3.079 -13.479 4.177 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -5.519 -13.362 4.025 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -5.436 -11.639 3.715 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -4.185 -12.092 1.641 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -4.354 -13.818 1.941 1.00 0.00 H -ATOM 1426 N VAL A 86 -2.887 -10.202 3.940 1.00 0.00 N -ATOM 1427 CA VAL A 86 -2.067 -9.131 3.343 1.00 0.00 C -ATOM 1428 C VAL A 86 -0.587 -9.210 3.769 1.00 0.00 C -ATOM 1429 O VAL A 86 0.306 -8.848 3.009 1.00 0.00 O -ATOM 1430 CB VAL A 86 -2.622 -7.700 3.629 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -3.982 -7.500 2.980 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -2.702 -7.421 5.125 1.00 0.00 C -ATOM 1433 H VAL A 86 -3.635 -9.976 4.533 1.00 0.00 H -ATOM 1434 HA VAL A 86 -2.096 -9.298 2.276 1.00 0.00 H -ATOM 1435 HB VAL A 86 -1.939 -6.989 3.185 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -3.896 -7.610 1.909 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -4.358 -6.514 3.212 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -4.671 -8.240 3.355 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -3.105 -6.432 5.286 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -1.713 -7.480 5.555 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -3.342 -8.153 5.596 1.00 0.00 H -ATOM 1442 N TYR A 87 -0.335 -9.718 4.961 1.00 0.00 N -ATOM 1443 CA TYR A 87 1.021 -9.791 5.456 1.00 0.00 C -ATOM 1444 C TYR A 87 1.707 -11.041 4.992 1.00 0.00 C -ATOM 1445 O TYR A 87 2.848 -10.994 4.557 1.00 0.00 O -ATOM 1446 CB TYR A 87 1.087 -9.663 6.973 1.00 0.00 C -ATOM 1447 CG TYR A 87 0.623 -8.324 7.477 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 1.232 -7.160 7.033 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 -0.406 -8.215 8.400 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 0.832 -5.931 7.487 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 -0.815 -6.978 8.859 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -0.187 -5.840 8.393 1.00 0.00 C -ATOM 1453 OH TYR A 87 -0.568 -4.609 8.861 1.00 0.00 O -ATOM 1454 H TYR A 87 -1.077 -10.072 5.493 1.00 0.00 H -ATOM 1455 HA TYR A 87 1.547 -8.952 5.022 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 0.472 -10.428 7.423 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 2.109 -9.804 7.293 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 2.033 -7.230 6.314 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 -0.890 -9.110 8.759 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 1.322 -5.038 7.126 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 -1.620 -6.904 9.575 1.00 0.00 H -ATOM 1462 HH TYR A 87 -0.453 -4.692 9.816 1.00 0.00 H -ATOM 1463 N SER A 88 1.006 -12.149 5.056 1.00 0.00 N -ATOM 1464 CA SER A 88 1.543 -13.413 4.638 1.00 0.00 C -ATOM 1465 C SER A 88 1.774 -13.442 3.130 1.00 0.00 C -ATOM 1466 O SER A 88 2.682 -14.131 2.650 1.00 0.00 O -ATOM 1467 CB SER A 88 0.640 -14.538 5.112 1.00 0.00 C -ATOM 1468 OG SER A 88 0.558 -14.519 6.537 1.00 0.00 O -ATOM 1469 H SER A 88 0.088 -12.141 5.410 1.00 0.00 H -ATOM 1470 HA SER A 88 2.502 -13.523 5.119 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -0.347 -14.407 4.696 1.00 0.00 H -ATOM 1472 HB3 SER A 88 1.048 -15.487 4.798 1.00 0.00 H -ATOM 1473 HG SER A 88 0.356 -15.417 6.832 1.00 0.00 H -ATOM 1474 N GLU A 89 0.967 -12.683 2.396 1.00 0.00 N -ATOM 1475 CA GLU A 89 1.136 -12.523 0.963 1.00 0.00 C -ATOM 1476 C GLU A 89 2.496 -11.899 0.703 1.00 0.00 C -ATOM 1477 O GLU A 89 3.299 -12.425 -0.058 1.00 0.00 O -ATOM 1478 CB GLU A 89 0.035 -11.595 0.413 1.00 0.00 C -ATOM 1479 CG GLU A 89 0.073 -11.360 -1.091 1.00 0.00 C -ATOM 1480 CD GLU A 89 -0.237 -12.595 -1.888 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -1.416 -12.833 -2.199 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 0.679 -13.346 -2.235 1.00 0.00 O -ATOM 1483 H GLU A 89 0.208 -12.227 2.825 1.00 0.00 H -ATOM 1484 HA GLU A 89 1.071 -13.487 0.479 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -0.928 -12.018 0.658 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 0.122 -10.638 0.905 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -0.654 -10.602 -1.342 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 1.057 -11.008 -1.361 1.00 0.00 H -ATOM 1489 N ALA A 90 2.758 -10.818 1.411 1.00 0.00 N -ATOM 1490 CA ALA A 90 3.968 -10.050 1.258 1.00 0.00 C -ATOM 1491 C ALA A 90 5.211 -10.768 1.814 1.00 0.00 C -ATOM 1492 O ALA A 90 6.208 -10.924 1.107 1.00 0.00 O -ATOM 1493 CB ALA A 90 3.797 -8.690 1.913 1.00 0.00 C -ATOM 1494 H ALA A 90 2.088 -10.517 2.062 1.00 0.00 H -ATOM 1495 HA ALA A 90 4.102 -9.883 0.200 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 2.922 -8.202 1.509 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 4.670 -8.085 1.719 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 3.678 -8.821 2.977 1.00 0.00 H -ATOM 1499 N VAL A 91 5.145 -11.237 3.054 1.00 0.00 N -ATOM 1500 CA VAL A 91 6.323 -11.823 3.706 1.00 0.00 C -ATOM 1501 C VAL A 91 6.779 -13.141 3.046 1.00 0.00 C -ATOM 1502 O VAL A 91 7.980 -13.425 2.987 1.00 0.00 O -ATOM 1503 CB VAL A 91 6.165 -11.966 5.257 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 5.093 -12.956 5.638 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 7.487 -12.306 5.925 1.00 0.00 C -ATOM 1506 H VAL A 91 4.289 -11.179 3.539 1.00 0.00 H -ATOM 1507 HA VAL A 91 7.119 -11.116 3.514 1.00 0.00 H -ATOM 1508 HB VAL A 91 5.846 -11.002 5.629 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 5.340 -13.921 5.223 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 4.158 -12.606 5.230 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 5.022 -13.023 6.713 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 8.199 -11.513 5.744 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 7.868 -13.228 5.511 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 7.337 -12.423 6.989 1.00 0.00 H -ATOM 1515 N LYS A 92 5.840 -13.947 2.547 1.00 0.00 N -ATOM 1516 CA LYS A 92 6.228 -15.145 1.799 1.00 0.00 C -ATOM 1517 C LYS A 92 6.651 -14.800 0.375 1.00 0.00 C -ATOM 1518 O LYS A 92 7.232 -15.630 -0.322 1.00 0.00 O -ATOM 1519 CB LYS A 92 5.148 -16.251 1.750 1.00 0.00 C -ATOM 1520 CG LYS A 92 5.020 -17.167 2.979 1.00 0.00 C -ATOM 1521 CD LYS A 92 4.215 -16.574 4.124 1.00 0.00 C -ATOM 1522 CE LYS A 92 3.966 -17.639 5.196 1.00 0.00 C -ATOM 1523 NZ LYS A 92 3.017 -17.197 6.251 1.00 0.00 N -ATOM 1524 H LYS A 92 4.888 -13.740 2.671 1.00 0.00 H -ATOM 1525 HA LYS A 92 7.102 -15.537 2.298 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 4.190 -15.775 1.603 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 5.347 -16.871 0.889 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 4.548 -18.090 2.679 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 6.016 -17.392 3.331 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 4.774 -15.758 4.557 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 3.267 -16.212 3.756 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 3.562 -18.521 4.721 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 4.912 -17.889 5.653 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 3.334 -16.340 6.748 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 2.927 -17.931 6.981 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 2.062 -17.034 5.873 1.00 0.00 H -ATOM 1537 N ARG A 93 6.356 -13.584 -0.057 1.00 0.00 N -ATOM 1538 CA ARG A 93 6.628 -13.190 -1.423 1.00 0.00 C -ATOM 1539 C ARG A 93 8.060 -12.729 -1.574 1.00 0.00 C -ATOM 1540 O ARG A 93 8.750 -13.121 -2.529 1.00 0.00 O -ATOM 1541 CB ARG A 93 5.694 -12.087 -1.849 1.00 0.00 C -ATOM 1542 CG ARG A 93 5.644 -11.890 -3.328 1.00 0.00 C -ATOM 1543 CD ARG A 93 4.707 -10.778 -3.681 1.00 0.00 C -ATOM 1544 NE ARG A 93 4.373 -10.805 -5.090 1.00 0.00 N -ATOM 1545 CZ ARG A 93 3.899 -9.783 -5.773 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 4.017 -8.542 -5.305 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 3.391 -9.987 -6.964 1.00 0.00 N -ATOM 1548 H ARG A 93 5.957 -12.934 0.560 1.00 0.00 H -ATOM 1549 HA ARG A 93 6.459 -14.047 -2.057 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 4.698 -12.323 -1.503 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 6.012 -11.162 -1.391 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 6.636 -11.643 -3.676 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 5.309 -12.802 -3.798 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 3.801 -10.884 -3.102 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 5.176 -9.835 -3.449 1.00 0.00 H -ATOM 1556 HE ARG A 93 4.430 -11.702 -5.493 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 4.476 -8.341 -4.435 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 3.648 -7.766 -5.816 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 3.366 -10.896 -7.389 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 2.942 -9.245 -7.484 1.00 0.00 H -ATOM 1561 N ILE A 94 8.512 -11.891 -0.652 1.00 0.00 N -ATOM 1562 CA ILE A 94 9.891 -11.448 -0.664 1.00 0.00 C -ATOM 1563 C ILE A 94 10.749 -12.552 -0.066 1.00 0.00 C -ATOM 1564 O ILE A 94 10.961 -12.620 1.144 1.00 0.00 O -ATOM 1565 CB ILE A 94 10.155 -10.053 0.059 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 9.466 -8.864 -0.667 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 11.657 -9.762 0.166 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 7.957 -8.814 -0.569 1.00 0.00 C -ATOM 1569 H ILE A 94 7.903 -11.576 0.050 1.00 0.00 H -ATOM 1570 HA ILE A 94 10.165 -11.371 -1.706 1.00 0.00 H -ATOM 1571 HB ILE A 94 9.765 -10.126 1.062 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 9.839 -7.939 -0.252 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 9.729 -8.905 -1.713 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 12.134 -10.536 0.749 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 11.808 -8.805 0.641 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 12.089 -9.738 -0.823 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 7.664 -8.745 0.468 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 7.544 -9.713 -1.002 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 7.589 -7.953 -1.107 1.00 0.00 H -ATOM 1580 N LEU A 95 11.121 -13.466 -0.910 1.00 0.00 N -ATOM 1581 CA LEU A 95 11.905 -14.596 -0.550 1.00 0.00 C -ATOM 1582 C LEU A 95 12.530 -15.127 -1.821 1.00 0.00 C -ATOM 1583 O LEU A 95 11.849 -15.850 -2.575 1.00 0.00 O -ATOM 1584 CB LEU A 95 11.020 -15.672 0.118 1.00 0.00 C -ATOM 1585 CG LEU A 95 11.740 -16.890 0.702 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 12.668 -16.477 1.838 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 10.728 -17.917 1.188 1.00 0.00 C -ATOM 1588 OXT LEU A 95 13.686 -14.784 -2.110 1.00 0.00 O -ATOM 1589 H LEU A 95 10.846 -13.393 -1.849 1.00 0.00 H -ATOM 1590 HA LEU A 95 12.677 -14.279 0.137 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 10.469 -15.197 0.916 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 10.312 -16.021 -0.618 1.00 0.00 H -ATOM 1593 HG LEU A 95 12.342 -17.346 -0.069 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 13.412 -15.788 1.467 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 13.158 -17.352 2.241 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 12.092 -15.998 2.616 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 10.100 -17.474 1.947 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 11.251 -18.766 1.606 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 10.118 -18.244 0.359 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 18 -ATOM 1 N MET A 1 10.629 15.980 -2.116 1.00 0.00 N -ATOM 2 CA MET A 1 10.788 14.958 -3.140 1.00 0.00 C -ATOM 3 C MET A 1 9.739 13.894 -2.948 1.00 0.00 C -ATOM 4 O MET A 1 9.479 13.466 -1.824 1.00 0.00 O -ATOM 5 CB MET A 1 12.190 14.352 -3.084 1.00 0.00 C -ATOM 6 CG MET A 1 12.435 13.227 -4.079 1.00 0.00 C -ATOM 7 SD MET A 1 12.197 13.746 -5.785 1.00 0.00 S -ATOM 8 CE MET A 1 12.522 12.199 -6.639 1.00 0.00 C -ATOM 9 H MET A 1 10.733 15.561 -1.172 1.00 0.00 H -ATOM 10 HA MET A 1 10.631 15.415 -4.106 1.00 0.00 H -ATOM 11 HB2 MET A 1 12.899 15.138 -3.293 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.357 13.972 -2.089 1.00 0.00 H -ATOM 13 HG2 MET A 1 13.451 12.877 -3.970 1.00 0.00 H -ATOM 14 HG3 MET A 1 11.750 12.419 -3.866 1.00 0.00 H -ATOM 15 HE1 MET A 1 12.420 12.340 -7.705 1.00 0.00 H -ATOM 16 HE2 MET A 1 11.819 11.450 -6.306 1.00 0.00 H -ATOM 17 HE3 MET A 1 13.526 11.873 -6.414 1.00 0.00 H -ATOM 18 N ALA A 2 9.158 13.461 -4.031 1.00 0.00 N -ATOM 19 CA ALA A 2 8.096 12.491 -3.998 1.00 0.00 C -ATOM 20 C ALA A 2 8.467 11.274 -4.822 1.00 0.00 C -ATOM 21 O ALA A 2 9.256 11.370 -5.760 1.00 0.00 O -ATOM 22 CB ALA A 2 6.801 13.108 -4.505 1.00 0.00 C -ATOM 23 H ALA A 2 9.486 13.783 -4.899 1.00 0.00 H -ATOM 24 HA ALA A 2 7.951 12.189 -2.970 1.00 0.00 H -ATOM 25 HB1 ALA A 2 6.927 13.410 -5.534 1.00 0.00 H -ATOM 26 HB2 ALA A 2 6.550 13.969 -3.903 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.007 12.379 -4.440 1.00 0.00 H -ATOM 28 N TYR A 3 7.905 10.148 -4.471 1.00 0.00 N -ATOM 29 CA TYR A 3 8.168 8.884 -5.158 1.00 0.00 C -ATOM 30 C TYR A 3 7.038 8.586 -6.129 1.00 0.00 C -ATOM 31 O TYR A 3 6.016 9.275 -6.123 1.00 0.00 O -ATOM 32 CB TYR A 3 8.260 7.722 -4.150 1.00 0.00 C -ATOM 33 CG TYR A 3 9.427 7.755 -3.175 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.692 8.873 -2.405 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.246 6.646 -3.011 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.726 8.893 -1.511 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.285 6.657 -2.102 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.517 7.787 -1.356 1.00 0.00 C -ATOM 39 OH TYR A 3 12.533 7.809 -0.434 1.00 0.00 O -ATOM 40 H TYR A 3 7.275 10.159 -3.720 1.00 0.00 H -ATOM 41 HA TYR A 3 9.103 8.965 -5.691 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.359 7.712 -3.553 1.00 0.00 H -ATOM 43 HB3 TYR A 3 8.313 6.796 -4.706 1.00 0.00 H -ATOM 44 HD1 TYR A 3 9.069 9.747 -2.523 1.00 0.00 H -ATOM 45 HD2 TYR A 3 10.059 5.761 -3.601 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.907 9.779 -0.923 1.00 0.00 H -ATOM 47 HE2 TYR A 3 11.914 5.788 -1.985 1.00 0.00 H -ATOM 48 HH TYR A 3 13.287 7.304 -0.789 1.00 0.00 H -ATOM 49 N PHE A 4 7.217 7.578 -6.944 1.00 0.00 N -ATOM 50 CA PHE A 4 6.187 7.132 -7.865 1.00 0.00 C -ATOM 51 C PHE A 4 5.323 6.100 -7.159 1.00 0.00 C -ATOM 52 O PHE A 4 5.762 5.507 -6.195 1.00 0.00 O -ATOM 53 CB PHE A 4 6.824 6.519 -9.121 1.00 0.00 C -ATOM 54 CG PHE A 4 7.645 7.492 -9.920 1.00 0.00 C -ATOM 55 CD1 PHE A 4 7.033 8.501 -10.644 1.00 0.00 C -ATOM 56 CD2 PHE A 4 9.027 7.394 -9.950 1.00 0.00 C -ATOM 57 CE1 PHE A 4 7.783 9.398 -11.379 1.00 0.00 C -ATOM 58 CE2 PHE A 4 9.782 8.287 -10.685 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.159 9.290 -11.400 1.00 0.00 C -ATOM 60 H PHE A 4 8.076 7.095 -6.924 1.00 0.00 H -ATOM 61 HA PHE A 4 5.580 7.980 -8.141 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.490 5.732 -8.802 1.00 0.00 H -ATOM 63 HB3 PHE A 4 6.070 6.086 -9.760 1.00 0.00 H -ATOM 64 HD1 PHE A 4 5.956 8.589 -10.626 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.514 6.609 -9.389 1.00 0.00 H -ATOM 66 HE1 PHE A 4 7.294 10.181 -11.940 1.00 0.00 H -ATOM 67 HE2 PHE A 4 10.859 8.202 -10.700 1.00 0.00 H -ATOM 68 HZ PHE A 4 9.746 9.990 -11.977 1.00 0.00 H -ATOM 69 N LEU A 5 4.108 5.910 -7.602 1.00 0.00 N -ATOM 70 CA LEU A 5 3.218 4.941 -6.976 1.00 0.00 C -ATOM 71 C LEU A 5 2.693 3.977 -8.051 1.00 0.00 C -ATOM 72 O LEU A 5 2.216 4.425 -9.105 1.00 0.00 O -ATOM 73 CB LEU A 5 2.042 5.707 -6.301 1.00 0.00 C -ATOM 74 CG LEU A 5 1.180 4.991 -5.219 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.453 3.767 -5.732 1.00 0.00 C -ATOM 76 CD2 LEU A 5 2.008 4.644 -4.004 1.00 0.00 C -ATOM 77 H LEU A 5 3.775 6.436 -8.359 1.00 0.00 H -ATOM 78 HA LEU A 5 3.769 4.394 -6.226 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.449 6.598 -5.848 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.382 6.021 -7.095 1.00 0.00 H -ATOM 81 HG LEU A 5 0.419 5.687 -4.899 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.281 4.059 -6.470 1.00 0.00 H -ATOM 83 HD12 LEU A 5 -0.020 3.261 -4.904 1.00 0.00 H -ATOM 84 HD13 LEU A 5 1.172 3.101 -6.185 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.822 4.000 -4.301 1.00 0.00 H -ATOM 86 HD22 LEU A 5 1.387 4.124 -3.289 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.396 5.547 -3.556 1.00 0.00 H -ATOM 88 N ASP A 6 2.786 2.683 -7.798 1.00 0.00 N -ATOM 89 CA ASP A 6 2.229 1.666 -8.705 1.00 0.00 C -ATOM 90 C ASP A 6 1.587 0.570 -7.865 1.00 0.00 C -ATOM 91 O ASP A 6 1.909 0.428 -6.679 1.00 0.00 O -ATOM 92 CB ASP A 6 3.309 1.080 -9.648 1.00 0.00 C -ATOM 93 CG ASP A 6 2.741 0.141 -10.721 1.00 0.00 C -ATOM 94 OD1 ASP A 6 1.917 0.583 -11.547 1.00 0.00 O -ATOM 95 OD2 ASP A 6 3.092 -1.040 -10.748 1.00 0.00 O -ATOM 96 H ASP A 6 3.224 2.372 -6.972 1.00 0.00 H -ATOM 97 HA ASP A 6 1.453 2.145 -9.286 1.00 0.00 H -ATOM 98 HB2 ASP A 6 3.844 1.880 -10.139 1.00 0.00 H -ATOM 99 HB3 ASP A 6 3.994 0.509 -9.040 1.00 0.00 H -ATOM 100 N PHE A 7 0.682 -0.169 -8.446 1.00 0.00 N -ATOM 101 CA PHE A 7 -0.047 -1.211 -7.738 1.00 0.00 C -ATOM 102 C PHE A 7 0.222 -2.552 -8.384 1.00 0.00 C -ATOM 103 O PHE A 7 0.177 -2.675 -9.624 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.567 -0.977 -7.805 1.00 0.00 C -ATOM 105 CG PHE A 7 -2.078 0.322 -7.250 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -2.107 1.460 -8.037 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.558 0.395 -5.961 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.603 2.645 -7.549 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -3.052 1.579 -5.462 1.00 0.00 C -ATOM 110 CZ PHE A 7 -3.074 2.707 -6.257 1.00 0.00 C -ATOM 111 H PHE A 7 0.515 -0.039 -9.402 1.00 0.00 H -ATOM 112 HA PHE A 7 0.261 -1.224 -6.704 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.874 -1.017 -8.839 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -2.056 -1.783 -7.276 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.730 1.409 -9.047 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.542 -0.486 -5.337 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.618 3.523 -8.177 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.422 1.625 -4.449 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.464 3.635 -5.867 1.00 0.00 H -ATOM 120 N ASP A 8 0.503 -3.537 -7.572 1.00 0.00 N -ATOM 121 CA ASP A 8 0.660 -4.913 -8.027 1.00 0.00 C -ATOM 122 C ASP A 8 -0.656 -5.460 -8.478 1.00 0.00 C -ATOM 123 O ASP A 8 -1.701 -4.976 -8.057 1.00 0.00 O -ATOM 124 CB ASP A 8 1.227 -5.818 -6.945 1.00 0.00 C -ATOM 125 CG ASP A 8 2.694 -5.628 -6.740 1.00 0.00 C -ATOM 126 OD1 ASP A 8 3.486 -6.246 -7.488 1.00 0.00 O -ATOM 127 OD2 ASP A 8 3.094 -4.902 -5.821 1.00 0.00 O -ATOM 128 H ASP A 8 0.626 -3.356 -6.610 1.00 0.00 H -ATOM 129 HA ASP A 8 1.337 -4.905 -8.867 1.00 0.00 H -ATOM 130 HB2 ASP A 8 0.724 -5.613 -6.012 1.00 0.00 H -ATOM 131 HB3 ASP A 8 1.049 -6.846 -7.223 1.00 0.00 H -ATOM 132 N GLU A 9 -0.615 -6.454 -9.338 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.821 -7.091 -9.861 1.00 0.00 C -ATOM 134 C GLU A 9 -2.700 -7.621 -8.714 1.00 0.00 C -ATOM 135 O GLU A 9 -3.924 -7.519 -8.765 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.491 -8.225 -10.879 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.763 -9.469 -10.324 1.00 0.00 C -ATOM 138 CD GLU A 9 0.621 -9.188 -9.782 1.00 0.00 C -ATOM 139 OE1 GLU A 9 0.740 -8.813 -8.609 1.00 0.00 O -ATOM 140 OE2 GLU A 9 1.606 -9.326 -10.534 1.00 0.00 O -ATOM 141 H GLU A 9 0.263 -6.801 -9.604 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.382 -6.320 -10.367 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.422 -8.566 -11.306 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.888 -7.803 -11.669 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -1.355 -9.882 -9.520 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -0.686 -10.199 -11.117 1.00 0.00 H -ATOM 147 N ARG A 10 -2.047 -8.131 -7.666 1.00 0.00 N -ATOM 148 CA ARG A 10 -2.729 -8.643 -6.471 1.00 0.00 C -ATOM 149 C ARG A 10 -3.544 -7.500 -5.844 1.00 0.00 C -ATOM 150 O ARG A 10 -4.762 -7.631 -5.582 1.00 0.00 O -ATOM 151 CB ARG A 10 -1.677 -9.136 -5.450 1.00 0.00 C -ATOM 152 CG ARG A 10 -0.603 -10.027 -6.055 1.00 0.00 C -ATOM 153 CD ARG A 10 0.470 -10.419 -5.051 1.00 0.00 C -ATOM 154 NE ARG A 10 1.657 -10.968 -5.734 1.00 0.00 N -ATOM 155 CZ ARG A 10 2.415 -12.000 -5.318 1.00 0.00 C -ATOM 156 NH1 ARG A 10 2.092 -12.680 -4.219 1.00 0.00 N -ATOM 157 NH2 ARG A 10 3.494 -12.357 -6.032 1.00 0.00 N -ATOM 158 H ARG A 10 -1.065 -8.176 -7.734 1.00 0.00 H -ATOM 159 HA ARG A 10 -3.381 -9.457 -6.746 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.196 -8.276 -5.007 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -2.181 -9.691 -4.672 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -1.068 -10.931 -6.421 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -0.138 -9.508 -6.880 1.00 0.00 H -ATOM 164 HD2 ARG A 10 0.755 -9.547 -4.481 1.00 0.00 H -ATOM 165 HD3 ARG A 10 0.071 -11.172 -4.388 1.00 0.00 H -ATOM 166 HE ARG A 10 1.882 -10.474 -6.557 1.00 0.00 H -ATOM 167 HH11 ARG A 10 1.277 -12.465 -3.656 1.00 0.00 H -ATOM 168 HH12 ARG A 10 2.625 -13.464 -3.891 1.00 0.00 H -ATOM 169 HH21 ARG A 10 3.760 -11.870 -6.868 1.00 0.00 H -ATOM 170 HH22 ARG A 10 4.071 -13.142 -5.789 1.00 0.00 H -ATOM 171 N ALA A 11 -2.877 -6.369 -5.681 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.458 -5.170 -5.118 1.00 0.00 C -ATOM 173 C ALA A 11 -4.508 -4.572 -6.028 1.00 0.00 C -ATOM 174 O ALA A 11 -5.485 -4.053 -5.557 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.391 -4.142 -4.824 1.00 0.00 C -ATOM 176 H ALA A 11 -1.936 -6.335 -5.950 1.00 0.00 H -ATOM 177 HA ALA A 11 -3.926 -5.440 -4.182 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.921 -3.836 -5.746 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.648 -4.574 -4.168 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -2.843 -3.286 -4.347 1.00 0.00 H -ATOM 181 N LEU A 12 -4.308 -4.675 -7.340 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.234 -4.110 -8.312 1.00 0.00 C -ATOM 183 C LEU A 12 -6.568 -4.778 -8.223 1.00 0.00 C -ATOM 184 O LEU A 12 -7.607 -4.129 -8.308 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.684 -4.204 -9.734 1.00 0.00 C -ATOM 186 CG LEU A 12 -3.607 -3.187 -10.122 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -3.056 -3.505 -11.502 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.192 -1.774 -10.109 1.00 0.00 C -ATOM 189 H LEU A 12 -3.516 -5.156 -7.669 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.364 -3.069 -8.060 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -4.272 -5.194 -9.861 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -5.517 -4.098 -10.410 1.00 0.00 H -ATOM 193 HG LEU A 12 -2.796 -3.224 -9.408 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -2.618 -4.493 -11.501 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -2.299 -2.779 -11.762 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -3.857 -3.467 -12.225 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -5.030 -1.728 -10.790 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -3.439 -1.070 -10.430 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.522 -1.516 -9.114 1.00 0.00 H -ATOM 200 N LYS A 13 -6.532 -6.061 -8.009 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.720 -6.842 -7.855 1.00 0.00 C -ATOM 202 C LYS A 13 -8.463 -6.424 -6.603 1.00 0.00 C -ATOM 203 O LYS A 13 -9.681 -6.246 -6.632 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.355 -8.297 -7.807 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.763 -8.794 -9.100 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.194 -10.166 -8.931 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.655 -10.699 -10.236 1.00 0.00 C -ATOM 208 NZ LYS A 13 -5.231 -12.100 -10.111 1.00 0.00 N -ATOM 209 H LYS A 13 -5.653 -6.498 -7.958 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.347 -6.666 -8.716 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -6.632 -8.443 -7.019 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.241 -8.872 -7.591 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.534 -8.823 -9.855 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -5.978 -8.118 -9.408 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.372 -10.057 -8.235 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -6.943 -10.832 -8.530 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -6.425 -10.630 -10.990 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -4.808 -10.099 -10.532 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -4.807 -12.443 -10.995 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -6.053 -12.701 -9.892 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -4.542 -12.210 -9.341 1.00 0.00 H -ATOM 222 N GLU A 14 -7.727 -6.224 -5.518 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.332 -5.777 -4.274 1.00 0.00 C -ATOM 224 C GLU A 14 -8.824 -4.326 -4.386 1.00 0.00 C -ATOM 225 O GLU A 14 -9.844 -3.974 -3.854 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.399 -5.956 -3.082 1.00 0.00 C -ATOM 227 CG GLU A 14 -6.914 -7.376 -2.906 1.00 0.00 C -ATOM 228 CD GLU A 14 -6.327 -7.657 -1.545 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -5.258 -7.122 -1.203 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -6.940 -8.464 -0.795 1.00 0.00 O -ATOM 231 H GLU A 14 -6.759 -6.390 -5.550 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.202 -6.400 -4.134 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.538 -5.320 -3.220 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -7.918 -5.658 -2.182 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -7.744 -8.049 -3.059 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.158 -7.567 -3.653 1.00 0.00 H -ATOM 237 N TRP A 15 -8.088 -3.515 -5.100 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.416 -2.106 -5.340 1.00 0.00 C -ATOM 239 C TRP A 15 -9.725 -2.003 -6.156 1.00 0.00 C -ATOM 240 O TRP A 15 -10.555 -1.111 -5.936 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.230 -1.477 -6.097 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.274 -0.001 -6.321 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.643 0.648 -7.463 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.892 1.013 -5.386 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.517 2.006 -7.289 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.059 2.254 -6.023 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.428 0.988 -4.065 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.776 3.461 -5.389 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.149 2.185 -3.441 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.322 3.404 -4.101 1.00 0.00 C -ATOM 251 H TRP A 15 -7.248 -3.869 -5.470 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.548 -1.605 -4.389 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.325 -1.681 -5.548 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -7.156 -1.959 -7.060 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -7.978 0.147 -8.360 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.716 2.697 -7.955 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.289 0.057 -3.537 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.906 4.413 -5.883 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -5.789 2.190 -2.424 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.089 4.314 -3.568 1.00 0.00 H -ATOM 261 N ARG A 16 -9.890 -2.913 -7.108 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.123 -3.005 -7.894 1.00 0.00 C -ATOM 263 C ARG A 16 -12.238 -3.630 -7.064 1.00 0.00 C -ATOM 264 O ARG A 16 -13.417 -3.419 -7.325 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.914 -3.821 -9.166 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.965 -3.198 -10.169 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.758 -4.111 -11.365 1.00 0.00 C -ATOM 268 NE ARG A 16 -11.002 -4.348 -12.117 1.00 0.00 N -ATOM 269 CZ ARG A 16 -11.115 -5.154 -13.189 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -10.069 -5.869 -13.605 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -12.284 -5.259 -13.822 1.00 0.00 N -ATOM 272 H ARG A 16 -9.145 -3.528 -7.299 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.411 -1.997 -8.157 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.519 -4.789 -8.891 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.868 -3.965 -9.647 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.377 -2.259 -10.508 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -9.011 -3.023 -9.691 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.024 -3.666 -12.020 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -9.380 -5.055 -11.004 1.00 0.00 H -ATOM 280 HE ARG A 16 -11.785 -3.850 -11.788 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -9.186 -5.828 -13.129 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -10.109 -6.471 -14.406 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -13.090 -4.749 -13.511 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -12.413 -5.839 -14.632 1.00 0.00 H -ATOM 285 N LYS A 17 -11.847 -4.429 -6.104 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.755 -5.079 -5.173 1.00 0.00 C -ATOM 287 C LYS A 17 -13.301 -4.041 -4.203 1.00 0.00 C -ATOM 288 O LYS A 17 -14.483 -4.053 -3.853 1.00 0.00 O -ATOM 289 CB LYS A 17 -11.972 -6.154 -4.422 1.00 0.00 C -ATOM 290 CG LYS A 17 -12.712 -6.906 -3.348 1.00 0.00 C -ATOM 291 CD LYS A 17 -11.775 -7.898 -2.679 1.00 0.00 C -ATOM 292 CE LYS A 17 -12.467 -8.666 -1.583 1.00 0.00 C -ATOM 293 NZ LYS A 17 -12.853 -7.811 -0.455 1.00 0.00 N -ATOM 294 H LYS A 17 -10.885 -4.605 -6.014 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.562 -5.540 -5.721 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -11.606 -6.877 -5.135 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.121 -5.668 -3.967 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -13.067 -6.201 -2.612 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -13.542 -7.439 -3.785 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -11.408 -8.597 -3.414 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -10.939 -7.359 -2.258 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -13.368 -9.079 -2.007 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -11.821 -9.458 -1.237 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -13.455 -7.028 -0.770 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -12.015 -7.441 0.037 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -13.389 -8.374 0.238 1.00 0.00 H -ATOM 307 N LEU A 18 -12.424 -3.153 -3.793 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.740 -2.072 -2.904 1.00 0.00 C -ATOM 309 C LEU A 18 -13.715 -1.112 -3.527 1.00 0.00 C -ATOM 310 O LEU A 18 -13.758 -0.942 -4.758 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.477 -1.306 -2.521 1.00 0.00 C -ATOM 312 CG LEU A 18 -10.924 -1.540 -1.123 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.615 -2.998 -0.870 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.702 -0.687 -0.910 1.00 0.00 C -ATOM 315 H LEU A 18 -11.491 -3.236 -4.090 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.149 -2.514 -2.010 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.707 -1.568 -3.230 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.689 -0.253 -2.626 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.666 -1.224 -0.409 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -10.226 -3.115 0.131 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -9.886 -3.344 -1.588 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -11.524 -3.569 -0.972 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.313 -0.857 0.083 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -9.986 0.351 -1.010 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -8.950 -0.930 -1.645 1.00 0.00 H -ATOM 326 N GLY A 19 -14.479 -0.481 -2.684 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.416 0.501 -3.121 1.00 0.00 C -ATOM 328 C GLY A 19 -14.694 1.747 -3.533 1.00 0.00 C -ATOM 329 O GLY A 19 -13.642 2.068 -2.955 1.00 0.00 O -ATOM 330 H GLY A 19 -14.377 -0.688 -1.732 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -15.986 0.114 -3.952 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.082 0.742 -2.308 1.00 0.00 H -ATOM 333 N SER A 20 -15.240 2.443 -4.506 1.00 0.00 N -ATOM 334 CA SER A 20 -14.658 3.641 -5.068 1.00 0.00 C -ATOM 335 C SER A 20 -14.280 4.658 -3.986 1.00 0.00 C -ATOM 336 O SER A 20 -13.157 5.091 -3.926 1.00 0.00 O -ATOM 337 CB SER A 20 -15.640 4.249 -6.060 1.00 0.00 C -ATOM 338 OG SER A 20 -16.011 3.285 -7.047 1.00 0.00 O -ATOM 339 H SER A 20 -16.096 2.145 -4.886 1.00 0.00 H -ATOM 340 HA SER A 20 -13.768 3.356 -5.610 1.00 0.00 H -ATOM 341 HB2 SER A 20 -16.524 4.572 -5.528 1.00 0.00 H -ATOM 342 HB3 SER A 20 -15.184 5.096 -6.551 1.00 0.00 H -ATOM 343 HG SER A 20 -15.702 3.636 -7.892 1.00 0.00 H -ATOM 344 N THR A 21 -15.199 4.943 -3.100 1.00 0.00 N -ATOM 345 CA THR A 21 -15.006 5.937 -2.053 1.00 0.00 C -ATOM 346 C THR A 21 -13.877 5.514 -1.098 1.00 0.00 C -ATOM 347 O THR A 21 -13.042 6.324 -0.699 1.00 0.00 O -ATOM 348 CB THR A 21 -16.326 6.117 -1.279 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.379 6.368 -2.231 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.255 7.283 -0.306 1.00 0.00 C -ATOM 351 H THR A 21 -16.046 4.454 -3.130 1.00 0.00 H -ATOM 352 HA THR A 21 -14.746 6.876 -2.520 1.00 0.00 H -ATOM 353 HB THR A 21 -16.538 5.205 -0.741 1.00 0.00 H -ATOM 354 HG1 THR A 21 -18.160 5.875 -1.951 1.00 0.00 H -ATOM 355 HG21 THR A 21 -15.436 7.131 0.382 1.00 0.00 H -ATOM 356 HG22 THR A 21 -17.183 7.336 0.243 1.00 0.00 H -ATOM 357 HG23 THR A 21 -16.111 8.201 -0.853 1.00 0.00 H -ATOM 358 N VAL A 22 -13.823 4.227 -0.813 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.833 3.679 0.086 1.00 0.00 C -ATOM 360 C VAL A 22 -11.455 3.807 -0.542 1.00 0.00 C -ATOM 361 O VAL A 22 -10.504 4.296 0.082 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.132 2.185 0.377 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -12.056 1.573 1.250 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.498 2.027 1.030 1.00 0.00 C -ATOM 365 H VAL A 22 -14.455 3.623 -1.254 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.863 4.232 1.014 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.142 1.654 -0.563 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -12.013 2.102 2.190 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -11.101 1.646 0.752 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -12.289 0.535 1.436 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.679 0.982 1.237 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -15.261 2.400 0.364 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.522 2.586 1.954 1.00 0.00 H -ATOM 374 N ARG A 23 -11.366 3.417 -1.788 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.128 3.490 -2.495 1.00 0.00 C -ATOM 376 C ARG A 23 -9.697 4.940 -2.761 1.00 0.00 C -ATOM 377 O ARG A 23 -8.522 5.224 -2.765 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.098 2.627 -3.751 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.148 2.954 -4.759 1.00 0.00 C -ATOM 380 CD ARG A 23 -10.835 2.298 -6.067 1.00 0.00 C -ATOM 381 NE ARG A 23 -11.826 2.616 -7.088 1.00 0.00 N -ATOM 382 CZ ARG A 23 -12.552 1.715 -7.759 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.434 0.408 -7.495 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.404 2.126 -8.682 1.00 0.00 N -ATOM 385 H ARG A 23 -12.172 3.073 -2.237 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.398 3.097 -1.799 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.134 2.727 -4.226 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.235 1.591 -3.465 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.071 2.534 -4.384 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.284 4.022 -4.866 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -9.869 2.676 -6.373 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -10.779 1.228 -5.928 1.00 0.00 H -ATOM 393 HE ARG A 23 -11.917 3.582 -7.264 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -11.803 0.039 -6.801 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -12.994 -0.272 -7.978 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -13.525 3.098 -8.905 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -13.988 1.497 -9.202 1.00 0.00 H -ATOM 398 N GLU A 24 -10.653 5.847 -3.005 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.339 7.272 -3.216 1.00 0.00 C -ATOM 400 C GLU A 24 -9.594 7.855 -2.028 1.00 0.00 C -ATOM 401 O GLU A 24 -8.618 8.586 -2.204 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.589 8.100 -3.496 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.277 7.749 -4.790 1.00 0.00 C -ATOM 404 CD GLU A 24 -13.490 8.584 -5.055 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -14.315 8.785 -4.143 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -13.643 9.078 -6.189 1.00 0.00 O -ATOM 407 H GLU A 24 -11.592 5.558 -3.062 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.686 7.325 -4.075 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.292 7.924 -2.694 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.325 9.148 -3.518 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -11.582 7.884 -5.606 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.573 6.710 -4.747 1.00 0.00 H -ATOM 413 N GLN A 25 -10.030 7.506 -0.831 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.364 7.972 0.384 1.00 0.00 C -ATOM 415 C GLN A 25 -7.969 7.394 0.497 1.00 0.00 C -ATOM 416 O GLN A 25 -7.027 8.091 0.883 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.186 7.671 1.636 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.108 8.804 2.077 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.055 9.294 1.000 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -11.733 10.211 0.242 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.212 8.714 0.927 1.00 0.00 N -ATOM 422 H GLN A 25 -10.817 6.919 -0.769 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.265 9.043 0.283 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.793 6.799 1.449 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.508 7.453 2.448 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.696 8.449 2.909 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -10.498 9.632 2.408 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.423 7.997 1.564 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -13.817 9.008 0.215 1.00 0.00 H -ATOM 430 N LEU A 26 -7.833 6.140 0.128 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.540 5.484 0.138 1.00 0.00 C -ATOM 432 C LEU A 26 -5.621 6.109 -0.902 1.00 0.00 C -ATOM 433 O LEU A 26 -4.444 6.333 -0.642 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.698 3.990 -0.099 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.445 3.218 0.997 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.592 1.769 0.617 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.724 3.338 2.337 1.00 0.00 C -ATOM 438 H LEU A 26 -8.633 5.639 -0.146 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.101 5.642 1.111 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.236 3.872 -1.029 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.714 3.563 -0.220 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.439 3.625 1.110 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -6.614 1.330 0.482 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.152 1.693 -0.303 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.116 1.242 1.400 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -6.699 4.372 2.649 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -5.713 2.973 2.234 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -7.244 2.747 3.077 1.00 0.00 H -ATOM 449 N LYS A 27 -6.181 6.409 -2.068 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.469 7.089 -3.142 1.00 0.00 C -ATOM 451 C LYS A 27 -4.904 8.424 -2.646 1.00 0.00 C -ATOM 452 O LYS A 27 -3.750 8.738 -2.899 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.418 7.374 -4.304 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.766 8.121 -5.462 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.791 8.747 -6.403 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.597 9.840 -5.696 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.486 10.560 -6.620 1.00 0.00 N -ATOM 458 H LYS A 27 -7.110 6.117 -2.216 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.667 6.456 -3.490 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.801 6.434 -4.673 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.240 7.962 -3.928 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.152 8.907 -5.048 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -5.145 7.433 -6.015 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -6.277 9.182 -7.248 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.465 7.978 -6.750 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -8.205 9.395 -4.923 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.905 10.539 -5.250 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -7.921 11.074 -7.328 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -9.067 11.266 -6.129 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -9.129 9.932 -7.141 1.00 0.00 H -ATOM 471 N LYS A 28 -5.725 9.176 -1.910 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.317 10.476 -1.349 1.00 0.00 C -ATOM 473 C LYS A 28 -4.148 10.297 -0.416 1.00 0.00 C -ATOM 474 O LYS A 28 -3.203 11.089 -0.415 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.470 11.130 -0.594 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.648 11.514 -1.458 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.796 12.008 -0.606 1.00 0.00 C -ATOM 478 CE LYS A 28 -9.982 12.397 -1.456 1.00 0.00 C -ATOM 479 NZ LYS A 28 -11.158 12.719 -0.633 1.00 0.00 N -ATOM 480 H LYS A 28 -6.636 8.846 -1.746 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.021 11.117 -2.167 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.820 10.443 0.163 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.100 12.022 -0.111 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.347 12.296 -2.139 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -7.970 10.647 -2.017 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.095 11.225 0.074 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.469 12.869 -0.043 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -9.720 13.264 -2.044 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.222 11.572 -2.112 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -11.436 11.872 -0.091 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -11.966 12.987 -1.231 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -10.956 13.488 0.035 1.00 0.00 H -ATOM 493 N LYS A 29 -4.201 9.225 0.351 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.141 8.890 1.265 1.00 0.00 C -ATOM 495 C LYS A 29 -1.870 8.557 0.553 1.00 0.00 C -ATOM 496 O LYS A 29 -0.799 8.916 1.005 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.528 7.785 2.227 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.053 8.281 3.559 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.285 9.127 3.418 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.696 9.676 4.753 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.663 10.576 5.321 1.00 0.00 N -ATOM 502 H LYS A 29 -4.992 8.645 0.294 1.00 0.00 H -ATOM 503 HA LYS A 29 -2.962 9.786 1.832 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.290 7.177 1.764 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.655 7.177 2.402 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -4.296 7.433 4.180 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -3.279 8.862 4.040 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -5.078 9.945 2.743 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.086 8.520 3.022 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.632 10.200 4.643 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.811 8.822 5.407 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -3.833 10.032 5.628 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -5.027 11.132 6.120 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -4.329 11.247 4.591 1.00 0.00 H -ATOM 515 N LEU A 30 -1.992 7.898 -0.558 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.851 7.560 -1.359 1.00 0.00 C -ATOM 517 C LEU A 30 -0.229 8.824 -1.915 1.00 0.00 C -ATOM 518 O LEU A 30 0.975 8.989 -1.892 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.259 6.624 -2.488 1.00 0.00 C -ATOM 520 CG LEU A 30 -1.901 5.311 -2.048 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.334 4.502 -3.246 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -0.953 4.512 -1.167 1.00 0.00 C -ATOM 523 H LEU A 30 -2.889 7.613 -0.839 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.136 7.057 -0.725 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -1.956 7.151 -3.123 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.375 6.391 -3.062 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.786 5.537 -1.472 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -2.776 3.572 -2.915 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -1.476 4.299 -3.868 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -3.061 5.062 -3.815 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -1.415 3.571 -0.914 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -0.756 5.067 -0.262 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.025 4.333 -1.690 1.00 0.00 H -ATOM 534 N VAL A 31 -1.077 9.738 -2.349 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.634 10.995 -2.925 1.00 0.00 C -ATOM 536 C VAL A 31 0.093 11.861 -1.878 1.00 0.00 C -ATOM 537 O VAL A 31 1.174 12.412 -2.162 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.828 11.786 -3.541 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -1.383 13.116 -4.113 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -2.509 10.968 -4.618 1.00 0.00 C -ATOM 541 H VAL A 31 -2.039 9.552 -2.276 1.00 0.00 H -ATOM 542 HA VAL A 31 0.062 10.750 -3.714 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.552 11.979 -2.764 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -0.651 12.949 -4.889 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -0.949 13.704 -3.318 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -2.243 13.625 -4.520 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -3.325 11.535 -5.039 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -2.894 10.069 -4.156 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -1.796 10.712 -5.387 1.00 0.00 H -ATOM 550 N GLU A 32 -0.473 11.955 -0.670 1.00 0.00 N -ATOM 551 CA GLU A 32 0.164 12.723 0.389 1.00 0.00 C -ATOM 552 C GLU A 32 1.454 12.041 0.861 1.00 0.00 C -ATOM 553 O GLU A 32 2.509 12.683 0.958 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.786 13.015 1.588 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.343 11.781 2.270 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.087 12.056 3.561 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -1.437 12.125 4.630 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -3.338 12.164 3.551 1.00 0.00 O -ATOM 559 H GLU A 32 -1.340 11.519 -0.508 1.00 0.00 H -ATOM 560 HA GLU A 32 0.438 13.661 -0.070 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.253 13.594 2.327 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.616 13.599 1.218 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -2.032 11.349 1.562 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.535 11.088 2.454 1.00 0.00 H -ATOM 565 N VAL A 33 1.384 10.726 1.042 1.00 0.00 N -ATOM 566 CA VAL A 33 2.468 9.950 1.608 1.00 0.00 C -ATOM 567 C VAL A 33 3.722 9.997 0.745 1.00 0.00 C -ATOM 568 O VAL A 33 4.789 9.915 1.253 1.00 0.00 O -ATOM 569 CB VAL A 33 2.076 8.479 1.960 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.204 7.514 0.780 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.830 7.994 3.187 1.00 0.00 C -ATOM 572 H VAL A 33 0.559 10.252 0.793 1.00 0.00 H -ATOM 573 HA VAL A 33 2.722 10.456 2.530 1.00 0.00 H -ATOM 574 HB VAL A 33 1.025 8.502 2.212 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.877 6.528 1.075 1.00 0.00 H -ATOM 576 HG12 VAL A 33 3.238 7.472 0.473 1.00 0.00 H -ATOM 577 HG13 VAL A 33 1.605 7.870 -0.045 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.629 6.947 3.360 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.500 8.564 4.043 1.00 0.00 H -ATOM 580 HG23 VAL A 33 3.887 8.152 3.049 1.00 0.00 H -ATOM 581 N LEU A 34 3.564 10.146 -0.563 1.00 0.00 N -ATOM 582 CA LEU A 34 4.686 10.143 -1.512 1.00 0.00 C -ATOM 583 C LEU A 34 5.800 11.147 -1.174 1.00 0.00 C -ATOM 584 O LEU A 34 6.945 10.935 -1.581 1.00 0.00 O -ATOM 585 CB LEU A 34 4.205 10.345 -2.954 1.00 0.00 C -ATOM 586 CG LEU A 34 3.386 9.204 -3.560 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.909 9.564 -4.954 1.00 0.00 C -ATOM 588 CD2 LEU A 34 4.191 7.913 -3.588 1.00 0.00 C -ATOM 589 H LEU A 34 2.653 10.244 -0.911 1.00 0.00 H -ATOM 590 HA LEU A 34 5.128 9.159 -1.447 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.600 11.239 -2.978 1.00 0.00 H -ATOM 592 HB3 LEU A 34 5.067 10.509 -3.582 1.00 0.00 H -ATOM 593 HG LEU A 34 2.510 9.042 -2.949 1.00 0.00 H -ATOM 594 HD11 LEU A 34 3.762 9.743 -5.591 1.00 0.00 H -ATOM 595 HD12 LEU A 34 2.297 10.452 -4.908 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.325 8.750 -5.356 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.422 7.600 -2.582 1.00 0.00 H -ATOM 598 HD22 LEU A 34 5.111 8.082 -4.129 1.00 0.00 H -ATOM 599 HD23 LEU A 34 3.624 7.144 -4.088 1.00 0.00 H -ATOM 600 N GLU A 35 5.481 12.231 -0.455 1.00 0.00 N -ATOM 601 CA GLU A 35 6.523 13.195 -0.068 1.00 0.00 C -ATOM 602 C GLU A 35 7.444 12.600 1.013 1.00 0.00 C -ATOM 603 O GLU A 35 8.619 12.966 1.127 1.00 0.00 O -ATOM 604 CB GLU A 35 5.922 14.524 0.412 1.00 0.00 C -ATOM 605 CG GLU A 35 5.029 14.416 1.636 1.00 0.00 C -ATOM 606 CD GLU A 35 4.483 15.745 2.062 1.00 0.00 C -ATOM 607 OE1 GLU A 35 3.532 16.240 1.421 1.00 0.00 O -ATOM 608 OE2 GLU A 35 4.985 16.326 3.055 1.00 0.00 O -ATOM 609 H GLU A 35 4.549 12.365 -0.167 1.00 0.00 H -ATOM 610 HA GLU A 35 7.125 13.372 -0.948 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.732 15.196 0.656 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.347 14.955 -0.393 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.201 13.760 1.410 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.607 13.999 2.449 1.00 0.00 H -ATOM 615 N SER A 36 6.905 11.692 1.797 1.00 0.00 N -ATOM 616 CA SER A 36 7.627 11.015 2.848 1.00 0.00 C -ATOM 617 C SER A 36 6.997 9.634 3.084 1.00 0.00 C -ATOM 618 O SER A 36 6.254 9.445 4.019 1.00 0.00 O -ATOM 619 CB SER A 36 7.618 11.848 4.144 1.00 0.00 C -ATOM 620 OG SER A 36 8.192 13.149 3.935 1.00 0.00 O -ATOM 621 H SER A 36 5.970 11.421 1.653 1.00 0.00 H -ATOM 622 HA SER A 36 8.642 10.870 2.521 1.00 0.00 H -ATOM 623 HB2 SER A 36 6.601 11.970 4.485 1.00 0.00 H -ATOM 624 HB3 SER A 36 8.191 11.333 4.902 1.00 0.00 H -ATOM 625 HG SER A 36 8.695 13.058 3.113 1.00 0.00 H -ATOM 626 N PRO A 37 7.221 8.668 2.167 1.00 0.00 N -ATOM 627 CA PRO A 37 6.605 7.341 2.268 1.00 0.00 C -ATOM 628 C PRO A 37 7.246 6.482 3.334 1.00 0.00 C -ATOM 629 O PRO A 37 6.689 5.469 3.748 1.00 0.00 O -ATOM 630 CB PRO A 37 6.829 6.740 0.881 1.00 0.00 C -ATOM 631 CG PRO A 37 8.055 7.410 0.383 1.00 0.00 C -ATOM 632 CD PRO A 37 8.021 8.808 0.938 1.00 0.00 C -ATOM 633 HA PRO A 37 5.547 7.409 2.465 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.961 5.672 0.962 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.980 6.955 0.248 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.929 6.886 0.742 1.00 0.00 H -ATOM 637 HG3 PRO A 37 8.050 7.435 -0.696 1.00 0.00 H -ATOM 638 HD2 PRO A 37 9.016 9.167 1.158 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.515 9.472 0.250 1.00 0.00 H -ATOM 640 N ARG A 38 8.389 6.919 3.805 1.00 0.00 N -ATOM 641 CA ARG A 38 9.153 6.193 4.781 1.00 0.00 C -ATOM 642 C ARG A 38 8.735 6.528 6.219 1.00 0.00 C -ATOM 643 O ARG A 38 9.541 6.552 7.124 1.00 0.00 O -ATOM 644 CB ARG A 38 10.678 6.354 4.507 1.00 0.00 C -ATOM 645 CG ARG A 38 11.252 7.789 4.405 1.00 0.00 C -ATOM 646 CD ARG A 38 11.403 8.478 5.760 1.00 0.00 C -ATOM 647 NE ARG A 38 12.188 7.653 6.703 1.00 0.00 N -ATOM 648 CZ ARG A 38 12.141 7.756 8.046 1.00 0.00 C -ATOM 649 NH1 ARG A 38 11.520 8.790 8.627 1.00 0.00 N -ATOM 650 NH2 ARG A 38 12.738 6.835 8.801 1.00 0.00 N -ATOM 651 H ARG A 38 8.719 7.781 3.477 1.00 0.00 H -ATOM 652 HA ARG A 38 8.898 5.154 4.629 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.214 5.859 5.301 1.00 0.00 H -ATOM 654 HB3 ARG A 38 10.897 5.838 3.583 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.218 7.751 3.927 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.584 8.370 3.788 1.00 0.00 H -ATOM 657 HD2 ARG A 38 11.895 9.428 5.611 1.00 0.00 H -ATOM 658 HD3 ARG A 38 10.416 8.642 6.167 1.00 0.00 H -ATOM 659 HE ARG A 38 12.712 6.939 6.275 1.00 0.00 H -ATOM 660 HH11 ARG A 38 11.080 9.507 8.079 1.00 0.00 H -ATOM 661 HH12 ARG A 38 11.470 8.888 9.623 1.00 0.00 H -ATOM 662 HH21 ARG A 38 13.239 6.060 8.410 1.00 0.00 H -ATOM 663 HH22 ARG A 38 12.676 6.857 9.811 1.00 0.00 H -ATOM 664 N ILE A 39 7.452 6.641 6.441 1.00 0.00 N -ATOM 665 CA ILE A 39 6.962 6.979 7.756 1.00 0.00 C -ATOM 666 C ILE A 39 6.956 5.722 8.601 1.00 0.00 C -ATOM 667 O ILE A 39 6.069 4.875 8.497 1.00 0.00 O -ATOM 668 CB ILE A 39 5.549 7.637 7.702 1.00 0.00 C -ATOM 669 CG1 ILE A 39 5.647 8.968 6.952 1.00 0.00 C -ATOM 670 CG2 ILE A 39 4.986 7.854 9.108 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.326 9.659 6.694 1.00 0.00 C -ATOM 672 H ILE A 39 6.828 6.465 5.705 1.00 0.00 H -ATOM 673 HA ILE A 39 7.667 7.674 8.192 1.00 0.00 H -ATOM 674 HB ILE A 39 4.884 6.983 7.158 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.256 9.649 7.529 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.128 8.797 6.000 1.00 0.00 H -ATOM 677 HG21 ILE A 39 4.001 8.293 9.038 1.00 0.00 H -ATOM 678 HG22 ILE A 39 5.638 8.522 9.650 1.00 0.00 H -ATOM 679 HG23 ILE A 39 4.929 6.907 9.625 1.00 0.00 H -ATOM 680 HD11 ILE A 39 3.842 9.899 7.628 1.00 0.00 H -ATOM 681 HD12 ILE A 39 3.694 9.008 6.107 1.00 0.00 H -ATOM 682 HD13 ILE A 39 4.523 10.563 6.136 1.00 0.00 H -ATOM 683 N GLU A 40 8.006 5.612 9.397 1.00 0.00 N -ATOM 684 CA GLU A 40 8.321 4.463 10.237 1.00 0.00 C -ATOM 685 C GLU A 40 7.207 4.068 11.205 1.00 0.00 C -ATOM 686 O GLU A 40 7.161 2.938 11.664 1.00 0.00 O -ATOM 687 CB GLU A 40 9.675 4.674 10.934 1.00 0.00 C -ATOM 688 CG GLU A 40 9.822 6.024 11.624 1.00 0.00 C -ATOM 689 CD GLU A 40 11.209 6.252 12.166 1.00 0.00 C -ATOM 690 OE1 GLU A 40 12.110 6.657 11.394 1.00 0.00 O -ATOM 691 OE2 GLU A 40 11.437 6.032 13.363 1.00 0.00 O -ATOM 692 H GLU A 40 8.637 6.364 9.394 1.00 0.00 H -ATOM 693 HA GLU A 40 8.438 3.634 9.555 1.00 0.00 H -ATOM 694 HB2 GLU A 40 9.803 3.903 11.681 1.00 0.00 H -ATOM 695 HB3 GLU A 40 10.464 4.581 10.201 1.00 0.00 H -ATOM 696 HG2 GLU A 40 9.606 6.803 10.909 1.00 0.00 H -ATOM 697 HG3 GLU A 40 9.113 6.079 12.438 1.00 0.00 H -ATOM 698 N ALA A 41 6.292 4.979 11.470 1.00 0.00 N -ATOM 699 CA ALA A 41 5.135 4.683 12.315 1.00 0.00 C -ATOM 700 C ALA A 41 4.204 3.700 11.599 1.00 0.00 C -ATOM 701 O ALA A 41 3.488 2.909 12.228 1.00 0.00 O -ATOM 702 CB ALA A 41 4.392 5.965 12.663 1.00 0.00 C -ATOM 703 H ALA A 41 6.419 5.871 11.088 1.00 0.00 H -ATOM 704 HA ALA A 41 5.489 4.221 13.225 1.00 0.00 H -ATOM 705 HB1 ALA A 41 3.562 5.737 13.316 1.00 0.00 H -ATOM 706 HB2 ALA A 41 4.020 6.424 11.759 1.00 0.00 H -ATOM 707 HB3 ALA A 41 5.065 6.647 13.162 1.00 0.00 H -ATOM 708 N ASN A 42 4.269 3.717 10.281 1.00 0.00 N -ATOM 709 CA ASN A 42 3.436 2.878 9.433 1.00 0.00 C -ATOM 710 C ASN A 42 4.192 1.653 8.983 1.00 0.00 C -ATOM 711 O ASN A 42 3.636 0.808 8.296 1.00 0.00 O -ATOM 712 CB ASN A 42 2.981 3.640 8.179 1.00 0.00 C -ATOM 713 CG ASN A 42 2.078 4.819 8.457 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.330 4.842 9.437 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.126 5.799 7.592 1.00 0.00 N -ATOM 716 H ASN A 42 4.918 4.309 9.839 1.00 0.00 H -ATOM 717 HA ASN A 42 2.558 2.562 9.978 1.00 0.00 H -ATOM 718 HB2 ASN A 42 3.854 4.012 7.665 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.458 2.955 7.529 1.00 0.00 H -ATOM 720 HD21 ASN A 42 2.735 5.714 6.830 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.533 6.572 7.714 1.00 0.00 H -ATOM 722 N LYS A 43 5.452 1.539 9.372 1.00 0.00 N -ATOM 723 CA LYS A 43 6.264 0.474 8.947 1.00 0.00 C -ATOM 724 C LYS A 43 5.842 -0.822 9.617 1.00 0.00 C -ATOM 725 O LYS A 43 5.442 -0.838 10.794 1.00 0.00 O -ATOM 726 CB LYS A 43 7.724 0.816 9.216 1.00 0.00 C -ATOM 727 CG LYS A 43 8.666 -0.190 8.673 1.00 0.00 C -ATOM 728 CD LYS A 43 10.115 0.266 8.753 1.00 0.00 C -ATOM 729 CE LYS A 43 11.057 -0.792 8.180 1.00 0.00 C -ATOM 730 NZ LYS A 43 12.465 -0.348 8.181 1.00 0.00 N -ATOM 731 H LYS A 43 5.902 2.151 9.985 1.00 0.00 H -ATOM 732 HA LYS A 43 6.136 0.368 7.880 1.00 0.00 H -ATOM 733 HB2 LYS A 43 7.943 1.767 8.755 1.00 0.00 H -ATOM 734 HB3 LYS A 43 7.874 0.892 10.282 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.500 -1.077 9.262 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.357 -0.336 7.650 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.221 1.183 8.191 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.371 0.452 9.785 1.00 0.00 H -ATOM 739 HE2 LYS A 43 10.977 -1.689 8.776 1.00 0.00 H -ATOM 740 HE3 LYS A 43 10.757 -1.009 7.164 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 12.588 0.481 7.565 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 13.091 -1.103 7.836 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.760 -0.081 9.142 1.00 0.00 H -ATOM 744 N LEU A 44 5.900 -1.885 8.862 1.00 0.00 N -ATOM 745 CA LEU A 44 5.505 -3.185 9.336 1.00 0.00 C -ATOM 746 C LEU A 44 6.589 -3.831 10.181 1.00 0.00 C -ATOM 747 O LEU A 44 7.693 -3.293 10.328 1.00 0.00 O -ATOM 748 CB LEU A 44 5.118 -4.100 8.171 1.00 0.00 C -ATOM 749 CG LEU A 44 3.937 -3.648 7.319 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.589 -4.698 6.290 1.00 0.00 C -ATOM 751 CD2 LEU A 44 2.744 -3.355 8.185 1.00 0.00 C -ATOM 752 H LEU A 44 6.229 -1.767 7.943 1.00 0.00 H -ATOM 753 HA LEU A 44 4.635 -3.051 9.962 1.00 0.00 H -ATOM 754 HB2 LEU A 44 5.977 -4.185 7.522 1.00 0.00 H -ATOM 755 HB3 LEU A 44 4.893 -5.077 8.568 1.00 0.00 H -ATOM 756 HG LEU A 44 4.204 -2.743 6.793 1.00 0.00 H -ATOM 757 HD11 LEU A 44 3.352 -5.624 6.794 1.00 0.00 H -ATOM 758 HD12 LEU A 44 4.416 -4.845 5.612 1.00 0.00 H -ATOM 759 HD13 LEU A 44 2.721 -4.366 5.741 1.00 0.00 H -ATOM 760 HD21 LEU A 44 2.525 -4.220 8.788 1.00 0.00 H -ATOM 761 HD22 LEU A 44 1.897 -3.134 7.554 1.00 0.00 H -ATOM 762 HD23 LEU A 44 2.950 -2.507 8.822 1.00 0.00 H -ATOM 763 N ARG A 45 6.271 -4.986 10.703 1.00 0.00 N -ATOM 764 CA ARG A 45 7.142 -5.724 11.579 1.00 0.00 C -ATOM 765 C ARG A 45 7.641 -6.966 10.852 1.00 0.00 C -ATOM 766 O ARG A 45 6.837 -7.781 10.399 1.00 0.00 O -ATOM 767 CB ARG A 45 6.343 -6.100 12.835 1.00 0.00 C -ATOM 768 CG ARG A 45 7.105 -6.848 13.914 1.00 0.00 C -ATOM 769 CD ARG A 45 6.209 -7.075 15.127 1.00 0.00 C -ATOM 770 NE ARG A 45 5.808 -5.797 15.749 1.00 0.00 N -ATOM 771 CZ ARG A 45 4.542 -5.378 15.968 1.00 0.00 C -ATOM 772 NH1 ARG A 45 3.494 -6.155 15.669 1.00 0.00 N -ATOM 773 NH2 ARG A 45 4.343 -4.186 16.519 1.00 0.00 N -ATOM 774 H ARG A 45 5.406 -5.390 10.480 1.00 0.00 H -ATOM 775 HA ARG A 45 7.977 -5.102 11.862 1.00 0.00 H -ATOM 776 HB2 ARG A 45 5.959 -5.193 13.278 1.00 0.00 H -ATOM 777 HB3 ARG A 45 5.504 -6.708 12.530 1.00 0.00 H -ATOM 778 HG2 ARG A 45 7.436 -7.796 13.521 1.00 0.00 H -ATOM 779 HG3 ARG A 45 7.963 -6.264 14.210 1.00 0.00 H -ATOM 780 HD2 ARG A 45 5.328 -7.610 14.809 1.00 0.00 H -ATOM 781 HD3 ARG A 45 6.749 -7.666 15.853 1.00 0.00 H -ATOM 782 HE ARG A 45 6.560 -5.218 16.017 1.00 0.00 H -ATOM 783 HH11 ARG A 45 3.597 -7.075 15.278 1.00 0.00 H -ATOM 784 HH12 ARG A 45 2.542 -5.872 15.821 1.00 0.00 H -ATOM 785 HH21 ARG A 45 5.118 -3.602 16.779 1.00 0.00 H -ATOM 786 HH22 ARG A 45 3.432 -3.800 16.689 1.00 0.00 H -ATOM 787 N GLY A 46 8.943 -7.074 10.696 1.00 0.00 N -ATOM 788 CA GLY A 46 9.524 -8.219 10.027 1.00 0.00 C -ATOM 789 C GLY A 46 9.420 -8.113 8.525 1.00 0.00 C -ATOM 790 O GLY A 46 9.377 -9.129 7.822 1.00 0.00 O -ATOM 791 H GLY A 46 9.530 -6.366 11.040 1.00 0.00 H -ATOM 792 HA2 GLY A 46 10.563 -8.306 10.303 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.005 -9.110 10.346 1.00 0.00 H -ATOM 794 N MET A 47 9.395 -6.895 8.025 1.00 0.00 N -ATOM 795 CA MET A 47 9.235 -6.651 6.604 1.00 0.00 C -ATOM 796 C MET A 47 10.309 -5.676 6.141 1.00 0.00 C -ATOM 797 O MET A 47 10.477 -4.628 6.767 1.00 0.00 O -ATOM 798 CB MET A 47 7.837 -6.081 6.317 1.00 0.00 C -ATOM 799 CG MET A 47 6.689 -7.006 6.718 1.00 0.00 C -ATOM 800 SD MET A 47 6.614 -8.533 5.755 1.00 0.00 S -ATOM 801 CE MET A 47 6.113 -7.901 4.152 1.00 0.00 C -ATOM 802 H MET A 47 9.530 -6.127 8.620 1.00 0.00 H -ATOM 803 HA MET A 47 9.349 -7.596 6.095 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.732 -5.155 6.863 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.759 -5.874 5.260 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.812 -7.268 7.758 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.757 -6.471 6.597 1.00 0.00 H -ATOM 808 HE1 MET A 47 6.850 -7.206 3.781 1.00 0.00 H -ATOM 809 HE2 MET A 47 5.165 -7.396 4.259 1.00 0.00 H -ATOM 810 HE3 MET A 47 6.002 -8.720 3.457 1.00 0.00 H -ATOM 811 N PRO A 48 11.018 -6.000 5.020 1.00 0.00 N -ATOM 812 CA PRO A 48 12.171 -5.217 4.499 1.00 0.00 C -ATOM 813 C PRO A 48 11.928 -3.714 4.432 1.00 0.00 C -ATOM 814 O PRO A 48 12.650 -2.917 5.047 1.00 0.00 O -ATOM 815 CB PRO A 48 12.396 -5.788 3.082 1.00 0.00 C -ATOM 816 CG PRO A 48 11.221 -6.684 2.819 1.00 0.00 C -ATOM 817 CD PRO A 48 10.750 -7.159 4.159 1.00 0.00 C -ATOM 818 HA PRO A 48 13.054 -5.392 5.091 1.00 0.00 H -ATOM 819 HB2 PRO A 48 12.438 -4.974 2.372 1.00 0.00 H -ATOM 820 HB3 PRO A 48 13.325 -6.337 3.053 1.00 0.00 H -ATOM 821 HG2 PRO A 48 10.438 -6.127 2.327 1.00 0.00 H -ATOM 822 HG3 PRO A 48 11.525 -7.520 2.207 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.696 -7.388 4.119 1.00 0.00 H -ATOM 824 HD3 PRO A 48 11.317 -8.020 4.482 1.00 0.00 H -ATOM 825 N ASP A 49 10.928 -3.338 3.692 1.00 0.00 N -ATOM 826 CA ASP A 49 10.553 -1.956 3.550 1.00 0.00 C -ATOM 827 C ASP A 49 9.109 -1.943 3.200 1.00 0.00 C -ATOM 828 O ASP A 49 8.750 -1.997 2.034 1.00 0.00 O -ATOM 829 CB ASP A 49 11.339 -1.266 2.440 1.00 0.00 C -ATOM 830 CG ASP A 49 11.307 0.235 2.611 1.00 0.00 C -ATOM 831 OD1 ASP A 49 10.300 0.850 2.293 1.00 0.00 O -ATOM 832 OD2 ASP A 49 12.316 0.815 3.118 1.00 0.00 O -ATOM 833 H ASP A 49 10.404 -4.019 3.221 1.00 0.00 H -ATOM 834 HA ASP A 49 10.693 -1.424 4.479 1.00 0.00 H -ATOM 835 HB2 ASP A 49 12.346 -1.647 2.381 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.850 -1.501 1.505 1.00 0.00 H -ATOM 837 N CYS A 50 8.278 -2.025 4.193 1.00 0.00 N -ATOM 838 CA CYS A 50 6.861 -2.083 3.967 1.00 0.00 C -ATOM 839 C CYS A 50 6.154 -1.242 4.984 1.00 0.00 C -ATOM 840 O CYS A 50 6.550 -1.211 6.161 1.00 0.00 O -ATOM 841 CB CYS A 50 6.375 -3.531 4.034 1.00 0.00 C -ATOM 842 SG CYS A 50 7.195 -4.629 2.852 1.00 0.00 S -ATOM 843 H CYS A 50 8.607 -2.019 5.115 1.00 0.00 H -ATOM 844 HA CYS A 50 6.656 -1.693 2.984 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.566 -3.917 5.025 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.314 -3.559 3.836 1.00 0.00 H -ATOM 847 HG CYS A 50 7.721 -3.792 1.965 1.00 0.00 H -ATOM 848 N TYR A 51 5.127 -0.577 4.549 1.00 0.00 N -ATOM 849 CA TYR A 51 4.375 0.323 5.378 1.00 0.00 C -ATOM 850 C TYR A 51 2.916 0.119 5.084 1.00 0.00 C -ATOM 851 O TYR A 51 2.559 -0.332 3.980 1.00 0.00 O -ATOM 852 CB TYR A 51 4.734 1.792 5.070 1.00 0.00 C -ATOM 853 CG TYR A 51 6.206 2.143 5.172 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.068 1.906 4.113 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.729 2.709 6.316 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.401 2.219 4.198 1.00 0.00 C -ATOM 857 CE2 TYR A 51 8.070 3.026 6.404 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.897 2.779 5.339 1.00 0.00 C -ATOM 859 OH TYR A 51 10.233 3.090 5.420 1.00 0.00 O -ATOM 860 H TYR A 51 4.828 -0.694 3.617 1.00 0.00 H -ATOM 861 HA TYR A 51 4.579 0.115 6.417 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.422 2.019 4.061 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.191 2.431 5.751 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.677 1.461 3.211 1.00 0.00 H -ATOM 865 HD2 TYR A 51 6.075 2.903 7.153 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.055 2.026 3.361 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.463 3.468 7.307 1.00 0.00 H -ATOM 868 HH TYR A 51 10.518 3.413 4.554 1.00 0.00 H -ATOM 869 N LYS A 52 2.087 0.416 6.038 1.00 0.00 N -ATOM 870 CA LYS A 52 0.672 0.318 5.857 1.00 0.00 C -ATOM 871 C LYS A 52 0.006 1.628 6.215 1.00 0.00 C -ATOM 872 O LYS A 52 0.367 2.277 7.191 1.00 0.00 O -ATOM 873 CB LYS A 52 0.081 -0.817 6.714 1.00 0.00 C -ATOM 874 CG LYS A 52 0.368 -0.687 8.207 1.00 0.00 C -ATOM 875 CD LYS A 52 -0.299 -1.786 9.007 1.00 0.00 C -ATOM 876 CE LYS A 52 0.132 -1.736 10.460 1.00 0.00 C -ATOM 877 NZ LYS A 52 -0.564 -2.737 11.284 1.00 0.00 N -ATOM 878 H LYS A 52 2.435 0.723 6.907 1.00 0.00 H -ATOM 879 HA LYS A 52 0.479 0.098 4.818 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.991 -0.836 6.577 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.493 -1.755 6.370 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.435 -0.739 8.362 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.002 0.271 8.546 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -1.372 -1.683 8.943 1.00 0.00 H -ATOM 885 HD3 LYS A 52 0.004 -2.733 8.588 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.194 -1.920 10.514 1.00 0.00 H -ATOM 887 HE3 LYS A 52 -0.078 -0.750 10.840 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 -0.193 -2.749 12.254 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 -0.491 -3.699 10.890 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 -1.577 -2.513 11.352 1.00 0.00 H -ATOM 891 N ILE A 53 -0.952 2.004 5.441 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.730 3.175 5.728 1.00 0.00 C -ATOM 893 C ILE A 53 -3.104 2.715 6.077 1.00 0.00 C -ATOM 894 O ILE A 53 -3.673 1.900 5.367 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.812 4.155 4.526 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.407 4.629 4.128 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -2.715 5.349 4.868 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.385 5.609 2.972 1.00 0.00 C -ATOM 899 H ILE A 53 -1.153 1.463 4.645 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.291 3.678 6.577 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.255 3.630 3.692 1.00 0.00 H -ATOM 902 HG12 ILE A 53 0.055 5.111 4.977 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.185 3.770 3.850 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -3.708 5.009 5.125 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.786 6.008 4.017 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -2.305 5.903 5.698 1.00 0.00 H -ATOM 907 HD11 ILE A 53 -0.927 6.500 3.254 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -0.850 5.162 2.106 1.00 0.00 H -ATOM 909 HD13 ILE A 53 0.637 5.870 2.744 1.00 0.00 H -ATOM 910 N LYS A 54 -3.626 3.196 7.153 1.00 0.00 N -ATOM 911 CA LYS A 54 -4.931 2.807 7.573 1.00 0.00 C -ATOM 912 C LYS A 54 -5.890 3.933 7.221 1.00 0.00 C -ATOM 913 O LYS A 54 -5.510 5.116 7.239 1.00 0.00 O -ATOM 914 CB LYS A 54 -4.983 2.502 9.103 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.827 3.708 10.053 1.00 0.00 C -ATOM 916 CD LYS A 54 -3.477 3.764 10.796 1.00 0.00 C -ATOM 917 CE LYS A 54 -2.288 4.078 9.892 1.00 0.00 C -ATOM 918 NZ LYS A 54 -1.043 4.280 10.663 1.00 0.00 N -ATOM 919 H LYS A 54 -3.141 3.885 7.649 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.198 1.908 7.027 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.934 2.038 9.318 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.201 1.790 9.329 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.927 4.611 9.470 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -5.626 3.675 10.779 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -3.541 4.527 11.556 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -3.313 2.809 11.275 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -2.145 3.259 9.203 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -2.514 4.977 9.339 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -0.227 4.483 10.047 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -0.812 3.442 11.238 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -1.160 5.079 11.316 1.00 0.00 H -ATOM 932 N LEU A 55 -7.080 3.583 6.865 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.090 4.546 6.551 1.00 0.00 C -ATOM 934 C LEU A 55 -8.778 4.851 7.883 1.00 0.00 C -ATOM 935 O LEU A 55 -8.912 3.961 8.726 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.047 3.934 5.498 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.784 4.897 4.537 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -10.464 4.112 3.440 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -10.807 5.751 5.251 1.00 0.00 C -ATOM 940 H LEU A 55 -7.309 2.626 6.831 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.614 5.437 6.170 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.474 3.246 4.895 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.791 3.364 6.035 1.00 0.00 H -ATOM 944 HG LEU A 55 -9.055 5.543 4.070 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -9.716 3.591 2.861 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -11.013 4.784 2.798 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -11.140 3.389 3.870 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -11.563 5.123 5.694 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -11.265 6.428 4.544 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -10.311 6.316 6.026 1.00 0.00 H -ATOM 951 N ARG A 56 -9.162 6.081 8.101 1.00 0.00 N -ATOM 952 CA ARG A 56 -9.665 6.474 9.403 1.00 0.00 C -ATOM 953 C ARG A 56 -11.191 6.373 9.489 1.00 0.00 C -ATOM 954 O ARG A 56 -11.730 5.888 10.482 1.00 0.00 O -ATOM 955 CB ARG A 56 -9.173 7.883 9.721 1.00 0.00 C -ATOM 956 CG ARG A 56 -9.428 8.372 11.131 1.00 0.00 C -ATOM 957 CD ARG A 56 -8.846 9.759 11.290 1.00 0.00 C -ATOM 958 NE ARG A 56 -8.986 10.303 12.634 1.00 0.00 N -ATOM 959 CZ ARG A 56 -8.409 11.432 13.052 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -7.639 12.138 12.228 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -8.605 11.856 14.285 1.00 0.00 N -ATOM 962 H ARG A 56 -9.107 6.748 7.384 1.00 0.00 H -ATOM 963 HA ARG A 56 -9.241 5.799 10.131 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -8.109 7.927 9.546 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -9.656 8.567 9.040 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -10.490 8.396 11.322 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -8.946 7.704 11.828 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -7.793 9.725 11.048 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -9.346 10.419 10.597 1.00 0.00 H -ATOM 970 HE ARG A 56 -9.553 9.777 13.245 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -7.473 11.863 11.276 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -7.171 12.977 12.522 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -9.185 11.353 14.932 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -8.206 12.711 14.630 1.00 0.00 H -ATOM 975 N SER A 57 -11.877 6.807 8.454 1.00 0.00 N -ATOM 976 CA SER A 57 -13.336 6.798 8.446 1.00 0.00 C -ATOM 977 C SER A 57 -13.918 5.476 7.901 1.00 0.00 C -ATOM 978 O SER A 57 -15.140 5.334 7.722 1.00 0.00 O -ATOM 979 CB SER A 57 -13.840 7.985 7.642 1.00 0.00 C -ATOM 980 OG SER A 57 -13.320 9.201 8.171 1.00 0.00 O -ATOM 981 H SER A 57 -11.404 7.188 7.683 1.00 0.00 H -ATOM 982 HA SER A 57 -13.662 6.919 9.468 1.00 0.00 H -ATOM 983 HB2 SER A 57 -13.515 7.880 6.618 1.00 0.00 H -ATOM 984 HB3 SER A 57 -14.918 8.017 7.682 1.00 0.00 H -ATOM 985 HG SER A 57 -13.582 9.909 7.571 1.00 0.00 H -ATOM 986 N SER A 58 -13.058 4.528 7.626 1.00 0.00 N -ATOM 987 CA SER A 58 -13.447 3.218 7.160 1.00 0.00 C -ATOM 988 C SER A 58 -12.359 2.250 7.590 1.00 0.00 C -ATOM 989 O SER A 58 -11.186 2.589 7.508 1.00 0.00 O -ATOM 990 CB SER A 58 -13.611 3.211 5.626 1.00 0.00 C -ATOM 991 OG SER A 58 -14.520 4.229 5.203 1.00 0.00 O -ATOM 992 H SER A 58 -12.098 4.679 7.758 1.00 0.00 H -ATOM 993 HA SER A 58 -14.378 2.957 7.637 1.00 0.00 H -ATOM 994 HB2 SER A 58 -12.653 3.381 5.162 1.00 0.00 H -ATOM 995 HB3 SER A 58 -13.998 2.253 5.314 1.00 0.00 H -ATOM 996 HG SER A 58 -14.953 4.530 6.013 1.00 0.00 H -ATOM 997 N GLY A 59 -12.736 1.082 8.059 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.766 0.128 8.579 1.00 0.00 C -ATOM 999 C GLY A 59 -11.006 -0.613 7.497 1.00 0.00 C -ATOM 1000 O GLY A 59 -11.233 -1.804 7.253 1.00 0.00 O -ATOM 1001 H GLY A 59 -13.686 0.834 8.049 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -11.057 0.666 9.190 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -12.280 -0.587 9.201 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.109 0.079 6.854 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.286 -0.484 5.809 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.856 -0.050 5.999 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.595 0.941 6.665 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.763 -0.034 4.423 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.079 -0.620 3.968 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.291 -0.034 4.312 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.103 -1.752 3.172 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.486 -0.563 3.873 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.291 -2.283 2.725 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.478 -1.688 3.079 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.663 -2.212 2.621 1.00 0.00 O -ATOM 1016 H TYR A 60 -9.987 1.024 7.100 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.352 -1.560 5.869 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -9.875 1.039 4.429 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.009 -0.299 3.697 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.287 0.849 4.934 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.169 -2.217 2.898 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.420 -0.096 4.149 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.289 -3.167 2.104 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.151 -1.504 2.177 1.00 0.00 H -ATOM 1025 N ARG A 61 -6.944 -0.814 5.465 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.547 -0.459 5.455 1.00 0.00 C -ATOM 1027 C ARG A 61 -4.922 -0.954 4.157 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.367 -1.957 3.585 1.00 0.00 O -ATOM 1029 CB ARG A 61 -4.749 -0.966 6.701 1.00 0.00 C -ATOM 1030 CG ARG A 61 -4.632 -2.471 6.833 1.00 0.00 C -ATOM 1031 CD ARG A 61 -5.957 -3.110 7.164 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.359 -2.942 8.569 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -7.623 -2.977 9.017 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -8.647 -2.971 8.162 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.859 -2.998 10.315 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.198 -1.664 5.036 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.516 0.619 5.423 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -3.750 -0.560 6.658 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -5.235 -0.585 7.588 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.273 -2.875 5.897 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -3.924 -2.700 7.616 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -6.710 -2.659 6.536 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -5.889 -4.156 6.927 1.00 0.00 H -ATOM 1044 HE ARG A 61 -5.622 -2.869 9.219 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -8.526 -2.935 7.170 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -9.599 -2.993 8.491 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -7.101 -2.987 10.974 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -8.797 -3.050 10.672 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.941 -0.256 3.701 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.266 -0.554 2.463 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.796 -0.822 2.766 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.180 -0.064 3.510 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.474 0.653 1.508 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.860 0.605 0.099 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.565 1.608 -0.791 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.387 0.954 0.142 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.635 0.519 4.226 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.715 -1.434 2.030 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.538 0.796 1.392 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.085 1.526 2.011 1.00 0.00 H -ATOM 1061 HG LEU A 62 -2.973 -0.382 -0.322 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.133 1.580 -1.781 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -3.459 2.599 -0.375 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -4.613 1.354 -0.849 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -0.990 0.977 -0.862 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -0.864 0.208 0.722 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.264 1.921 0.606 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.253 -1.890 2.203 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.122 -2.294 2.458 1.00 0.00 C -ATOM 1070 C VAL A 63 0.971 -2.138 1.194 1.00 0.00 C -ATOM 1071 O VAL A 63 0.632 -2.668 0.119 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.196 -3.770 2.957 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.639 -4.205 3.187 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.618 -3.950 4.233 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.761 -2.435 1.559 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.519 -1.648 3.226 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.226 -4.405 2.193 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 2.103 -3.549 3.907 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.183 -4.159 2.255 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 1.654 -5.219 3.562 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.225 -3.300 4.999 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.551 -4.976 4.563 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -1.651 -3.696 4.040 1.00 0.00 H -ATOM 1084 N TYR A 64 2.061 -1.428 1.317 1.00 0.00 N -ATOM 1085 CA TYR A 64 2.943 -1.197 0.204 1.00 0.00 C -ATOM 1086 C TYR A 64 4.389 -1.362 0.611 1.00 0.00 C -ATOM 1087 O TYR A 64 4.717 -1.299 1.803 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.715 0.201 -0.421 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.881 1.400 0.516 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.115 1.735 1.068 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.808 2.212 0.809 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.261 2.829 1.882 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.946 3.309 1.624 1.00 0.00 C -ATOM 1094 CZ TYR A 64 3.177 3.612 2.160 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.324 4.705 2.980 1.00 0.00 O -ATOM 1096 H TYR A 64 2.297 -1.054 2.197 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.714 -1.941 -0.544 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.411 0.336 -1.236 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.711 0.230 -0.817 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.969 1.110 0.850 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.841 1.976 0.391 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.228 3.069 2.296 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 1.081 3.922 1.830 1.00 0.00 H -ATOM 1104 HH TYR A 64 4.190 5.091 2.828 1.00 0.00 H -ATOM 1105 N GLN A 65 5.238 -1.599 -0.350 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.650 -1.622 -0.104 1.00 0.00 C -ATOM 1107 C GLN A 65 7.286 -0.460 -0.831 1.00 0.00 C -ATOM 1108 O GLN A 65 6.881 -0.123 -1.950 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.315 -2.958 -0.495 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.254 -3.329 -1.966 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.025 -4.605 -2.277 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.658 -5.350 -3.177 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.124 -4.848 -1.569 1.00 0.00 N -ATOM 1114 H GLN A 65 4.906 -1.731 -1.268 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.782 -1.450 0.954 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.355 -2.904 -0.209 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 6.846 -3.744 0.078 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.221 -3.470 -2.247 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.672 -2.520 -2.546 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.417 -4.214 -0.879 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.601 -5.680 -1.780 1.00 0.00 H -ATOM 1122 N VAL A 66 8.229 0.173 -0.211 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.870 1.306 -0.814 1.00 0.00 C -ATOM 1124 C VAL A 66 10.188 0.887 -1.420 1.00 0.00 C -ATOM 1125 O VAL A 66 11.116 0.476 -0.728 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.073 2.468 0.199 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.866 3.613 -0.404 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.738 2.968 0.715 1.00 0.00 C -ATOM 1129 H VAL A 66 8.550 -0.122 0.671 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.227 1.651 -1.610 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.632 2.081 1.038 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 10.837 3.238 -0.692 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 9.986 4.387 0.341 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.352 4.006 -1.268 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.904 3.756 1.433 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.210 2.153 1.186 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 7.148 3.346 -0.107 1.00 0.00 H -ATOM 1138 N ILE A 67 10.265 0.943 -2.713 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.479 0.628 -3.361 1.00 0.00 C -ATOM 1140 C ILE A 67 12.187 1.939 -3.600 1.00 0.00 C -ATOM 1141 O ILE A 67 11.933 2.633 -4.595 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.249 -0.092 -4.718 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.283 -1.276 -4.542 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.586 -0.582 -5.281 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.897 -1.954 -5.841 1.00 0.00 C -ATOM 1146 H ILE A 67 9.495 1.234 -3.251 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.073 0.004 -2.709 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.822 0.617 -5.412 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.744 -2.019 -3.907 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.379 -0.923 -4.070 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 13.245 0.260 -5.422 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 12.420 -1.075 -6.228 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.034 -1.278 -4.589 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 10.785 -2.333 -6.326 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.417 -1.234 -6.489 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 9.219 -2.769 -5.639 1.00 0.00 H -ATOM 1157 N ASP A 68 13.054 2.293 -2.685 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.784 3.561 -2.773 1.00 0.00 C -ATOM 1159 C ASP A 68 14.768 3.508 -3.916 1.00 0.00 C -ATOM 1160 O ASP A 68 15.061 4.516 -4.556 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.500 3.880 -1.459 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.190 5.232 -1.483 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 14.552 6.247 -1.125 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 16.381 5.304 -1.859 1.00 0.00 O -ATOM 1165 H ASP A 68 13.174 1.706 -1.908 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.064 4.337 -2.985 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 13.782 3.879 -0.652 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.245 3.121 -1.272 1.00 0.00 H -ATOM 1169 N GLU A 69 15.208 2.294 -4.208 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.149 2.016 -5.280 1.00 0.00 C -ATOM 1171 C GLU A 69 15.596 2.474 -6.627 1.00 0.00 C -ATOM 1172 O GLU A 69 16.327 2.967 -7.466 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.420 0.523 -5.346 1.00 0.00 C -ATOM 1174 CG GLU A 69 16.909 -0.080 -4.051 1.00 0.00 C -ATOM 1175 CD GLU A 69 17.202 -1.544 -4.189 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 16.279 -2.375 -4.029 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 18.367 -1.901 -4.467 1.00 0.00 O -ATOM 1178 H GLU A 69 14.892 1.556 -3.648 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.077 2.525 -5.070 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.509 0.015 -5.629 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.164 0.338 -6.106 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 17.814 0.428 -3.754 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 16.153 0.053 -3.290 1.00 0.00 H -ATOM 1184 N LYS A 70 14.299 2.304 -6.811 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.650 2.663 -8.064 1.00 0.00 C -ATOM 1186 C LYS A 70 12.793 3.912 -7.901 1.00 0.00 C -ATOM 1187 O LYS A 70 12.186 4.392 -8.868 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.810 1.494 -8.578 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.616 0.247 -8.882 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.731 -0.881 -9.369 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.549 -2.117 -9.667 1.00 0.00 C -ATOM 1192 NZ LYS A 70 12.734 -3.207 -10.230 1.00 0.00 N -ATOM 1193 H LYS A 70 13.761 1.941 -6.077 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.428 2.871 -8.783 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 12.091 1.237 -7.815 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.291 1.798 -9.475 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.339 0.476 -9.650 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 14.130 -0.067 -7.985 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 12.008 -1.112 -8.600 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 12.211 -0.573 -10.264 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 14.319 -1.857 -10.377 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 14.008 -2.455 -8.749 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 12.352 -2.940 -11.161 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 11.931 -3.436 -9.609 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 13.316 -4.061 -10.344 1.00 0.00 H -ATOM 1206 N VAL A 71 12.756 4.426 -6.662 1.00 0.00 N -ATOM 1207 CA VAL A 71 11.998 5.637 -6.289 1.00 0.00 C -ATOM 1208 C VAL A 71 10.482 5.399 -6.526 1.00 0.00 C -ATOM 1209 O VAL A 71 9.712 6.301 -6.863 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.526 6.910 -7.067 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 11.924 8.211 -6.528 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 14.044 6.987 -7.000 1.00 0.00 C -ATOM 1213 H VAL A 71 13.264 3.971 -5.959 1.00 0.00 H -ATOM 1214 HA VAL A 71 12.144 5.777 -5.227 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.239 6.812 -8.104 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 12.182 8.321 -5.486 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 10.849 8.176 -6.631 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.311 9.049 -7.087 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.466 6.092 -7.432 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.356 7.076 -5.970 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.382 7.848 -7.556 1.00 0.00 H -ATOM 1222 N VAL A 72 10.050 4.189 -6.282 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.671 3.846 -6.489 1.00 0.00 C -ATOM 1224 C VAL A 72 8.124 3.078 -5.293 1.00 0.00 C -ATOM 1225 O VAL A 72 8.809 2.247 -4.691 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.456 3.050 -7.828 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.206 1.739 -7.832 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 6.974 2.830 -8.133 1.00 0.00 C -ATOM 1229 H VAL A 72 10.661 3.512 -5.919 1.00 0.00 H -ATOM 1230 HA VAL A 72 8.129 4.779 -6.558 1.00 0.00 H -ATOM 1231 HB VAL A 72 8.878 3.641 -8.626 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 10.252 1.941 -7.667 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 9.075 1.269 -8.796 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 8.822 1.102 -7.050 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.476 3.784 -8.217 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.524 2.260 -7.334 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.873 2.288 -9.064 1.00 0.00 H -ATOM 1238 N VAL A 73 6.936 3.410 -4.934 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.216 2.775 -3.890 1.00 0.00 C -ATOM 1240 C VAL A 73 5.274 1.786 -4.548 1.00 0.00 C -ATOM 1241 O VAL A 73 4.453 2.164 -5.402 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.421 3.820 -3.074 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.650 3.169 -1.957 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.348 4.894 -2.526 1.00 0.00 C -ATOM 1245 H VAL A 73 6.478 4.136 -5.411 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.909 2.256 -3.244 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.720 4.296 -3.743 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 3.949 2.461 -2.372 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 4.114 3.922 -1.398 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 5.330 2.651 -1.298 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 7.099 4.436 -1.900 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 5.776 5.603 -1.945 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 6.827 5.406 -3.347 1.00 0.00 H -ATOM 1254 N PHE A 74 5.404 0.547 -4.192 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.674 -0.499 -4.839 1.00 0.00 C -ATOM 1256 C PHE A 74 3.641 -1.073 -3.870 1.00 0.00 C -ATOM 1257 O PHE A 74 4.005 -1.623 -2.824 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.663 -1.589 -5.266 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.338 -2.266 -6.563 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.076 -2.186 -7.120 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 6.314 -2.975 -7.238 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 3.801 -2.794 -8.314 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 6.037 -3.589 -8.436 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.780 -3.496 -8.973 1.00 0.00 C -ATOM 1265 H PHE A 74 6.004 0.311 -3.447 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.197 -0.093 -5.716 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.644 -1.147 -5.370 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 5.702 -2.344 -4.494 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 3.296 -1.639 -6.611 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 7.305 -3.047 -6.814 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 2.809 -2.721 -8.736 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 6.802 -4.142 -8.960 1.00 0.00 H -ATOM 1273 HZ PHE A 74 4.562 -3.974 -9.915 1.00 0.00 H -ATOM 1274 N VAL A 75 2.375 -0.911 -4.193 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.291 -1.419 -3.362 1.00 0.00 C -ATOM 1276 C VAL A 75 1.094 -2.896 -3.639 1.00 0.00 C -ATOM 1277 O VAL A 75 0.797 -3.276 -4.774 1.00 0.00 O -ATOM 1278 CB VAL A 75 -0.034 -0.660 -3.631 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.171 -1.194 -2.761 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.155 0.836 -3.422 1.00 0.00 C -ATOM 1281 H VAL A 75 2.163 -0.446 -5.035 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.570 -1.290 -2.328 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.307 -0.826 -4.663 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.341 -2.233 -2.999 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -2.075 -0.632 -2.944 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -0.899 -1.112 -1.720 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.497 1.026 -2.416 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 -0.783 1.344 -3.586 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.891 1.204 -4.123 1.00 0.00 H -ATOM 1290 N ILE A 76 1.218 -3.710 -2.604 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.173 -5.157 -2.771 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.220 -5.698 -2.461 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.745 -6.551 -3.185 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.167 -5.864 -1.809 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.545 -5.187 -1.835 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.298 -7.341 -2.191 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.541 -5.791 -0.860 1.00 0.00 C -ATOM 1298 H ILE A 76 1.323 -3.328 -1.705 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.447 -5.403 -3.786 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.762 -5.810 -0.809 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 3.961 -5.255 -2.829 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.424 -4.144 -1.581 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 2.600 -7.418 -3.224 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 1.354 -7.847 -2.048 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 3.054 -7.797 -1.569 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 4.155 -5.699 0.145 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 5.489 -5.281 -0.937 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 4.672 -6.837 -1.095 1.00 0.00 H -ATOM 1309 N SER A 77 -0.816 -5.188 -1.407 1.00 0.00 N -ATOM 1310 CA SER A 77 -2.091 -5.669 -0.937 1.00 0.00 C -ATOM 1311 C SER A 77 -2.909 -4.513 -0.361 1.00 0.00 C -ATOM 1312 O SER A 77 -2.339 -3.520 0.143 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.832 -6.759 0.113 1.00 0.00 C -ATOM 1314 OG SER A 77 -0.864 -6.317 1.071 1.00 0.00 O -ATOM 1315 H SER A 77 -0.418 -4.457 -0.886 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.620 -6.106 -1.770 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -2.749 -6.996 0.631 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -1.446 -7.642 -0.377 1.00 0.00 H -ATOM 1319 HG SER A 77 -0.702 -7.017 1.712 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.217 -4.597 -0.456 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.060 -3.531 0.028 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.425 -4.047 0.512 1.00 0.00 C -ATOM 1323 O VAL A 78 -7.126 -4.762 -0.201 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.201 -2.382 -1.033 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.742 -2.882 -2.359 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.050 -1.247 -0.507 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.640 -5.411 -0.828 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.556 -3.125 0.893 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.209 -1.998 -1.222 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -6.722 -3.310 -2.211 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.077 -3.636 -2.754 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -5.810 -2.060 -3.056 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.598 -0.853 0.390 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -7.043 -1.611 -0.286 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.103 -0.469 -1.255 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.798 -3.701 1.723 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.077 -4.130 2.209 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.152 -4.163 3.704 1.00 0.00 C -ATOM 1339 O GLY A 79 -7.912 -3.157 4.380 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.211 -3.157 2.294 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.834 -3.461 1.831 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.269 -5.122 1.828 1.00 0.00 H -ATOM 1343 N LYS A 80 -8.476 -5.291 4.233 1.00 0.00 N -ATOM 1344 CA LYS A 80 -8.619 -5.445 5.645 1.00 0.00 C -ATOM 1345 C LYS A 80 -7.541 -6.371 6.158 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.004 -7.184 5.413 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.014 -5.965 5.989 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.139 -5.097 5.436 1.00 0.00 C -ATOM 1349 CD LYS A 80 -12.502 -5.677 5.746 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.606 -4.873 5.078 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -14.942 -5.447 5.326 1.00 0.00 N -ATOM 1352 H LYS A 80 -8.611 -6.075 3.656 1.00 0.00 H -ATOM 1353 HA LYS A 80 -8.484 -4.472 6.096 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.129 -6.967 5.604 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.111 -5.989 7.064 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.067 -4.113 5.875 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.023 -5.018 4.366 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -12.543 -6.696 5.392 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -12.651 -5.656 6.816 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -13.585 -3.864 5.464 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -13.421 -4.850 4.015 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -15.677 -4.927 4.806 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -15.177 -5.395 6.337 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -14.983 -6.447 5.043 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.236 -6.263 7.419 1.00 0.00 N -ATOM 1366 CA ALA A 81 -6.157 -7.026 8.009 1.00 0.00 C -ATOM 1367 C ALA A 81 -6.683 -8.279 8.671 1.00 0.00 C -ATOM 1368 O ALA A 81 -5.973 -8.938 9.443 1.00 0.00 O -ATOM 1369 CB ALA A 81 -5.416 -6.166 9.000 1.00 0.00 C -ATOM 1370 H ALA A 81 -7.761 -5.675 8.006 1.00 0.00 H -ATOM 1371 HA ALA A 81 -5.472 -7.304 7.221 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -6.094 -5.866 9.785 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -5.044 -5.286 8.497 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -4.600 -6.729 9.424 1.00 0.00 H -ATOM 1375 N GLU A 82 -7.901 -8.624 8.328 1.00 0.00 N -ATOM 1376 CA GLU A 82 -8.577 -9.777 8.857 1.00 0.00 C -ATOM 1377 C GLU A 82 -7.832 -11.017 8.418 1.00 0.00 C -ATOM 1378 O GLU A 82 -7.500 -11.159 7.229 1.00 0.00 O -ATOM 1379 CB GLU A 82 -10.019 -9.806 8.349 1.00 0.00 C -ATOM 1380 CG GLU A 82 -10.767 -8.509 8.606 1.00 0.00 C -ATOM 1381 CD GLU A 82 -12.198 -8.529 8.146 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -12.456 -8.898 6.981 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -13.104 -8.181 8.951 1.00 0.00 O -ATOM 1384 H GLU A 82 -8.364 -8.080 7.662 1.00 0.00 H -ATOM 1385 HA GLU A 82 -8.578 -9.716 9.935 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -10.010 -9.988 7.285 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -10.550 -10.605 8.842 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -10.754 -8.306 9.666 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -10.247 -7.716 8.090 1.00 0.00 H -ATOM 1390 N ALA A 83 -7.482 -11.849 9.392 1.00 0.00 N -ATOM 1391 CA ALA A 83 -6.740 -13.098 9.187 1.00 0.00 C -ATOM 1392 C ALA A 83 -5.299 -12.830 8.733 1.00 0.00 C -ATOM 1393 O ALA A 83 -4.581 -13.751 8.366 1.00 0.00 O -ATOM 1394 CB ALA A 83 -7.470 -14.026 8.213 1.00 0.00 C -ATOM 1395 H ALA A 83 -7.731 -11.615 10.311 1.00 0.00 H -ATOM 1396 HA ALA A 83 -6.691 -13.585 10.151 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -7.528 -13.534 7.253 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -8.466 -14.221 8.582 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -6.929 -14.955 8.113 1.00 0.00 H -ATOM 1400 N SER A 84 -4.886 -11.551 8.796 1.00 0.00 N -ATOM 1401 CA SER A 84 -3.551 -11.103 8.401 1.00 0.00 C -ATOM 1402 C SER A 84 -3.263 -11.349 6.897 1.00 0.00 C -ATOM 1403 O SER A 84 -2.100 -11.419 6.484 1.00 0.00 O -ATOM 1404 CB SER A 84 -2.488 -11.755 9.301 1.00 0.00 C -ATOM 1405 OG SER A 84 -2.768 -11.468 10.672 1.00 0.00 O -ATOM 1406 H SER A 84 -5.514 -10.881 9.148 1.00 0.00 H -ATOM 1407 HA SER A 84 -3.532 -10.037 8.570 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -2.498 -12.826 9.154 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -1.515 -11.358 9.052 1.00 0.00 H -ATOM 1410 HG SER A 84 -3.705 -11.671 10.814 1.00 0.00 H -ATOM 1411 N GLU A 85 -4.324 -11.369 6.077 1.00 0.00 N -ATOM 1412 CA GLU A 85 -4.202 -11.615 4.639 1.00 0.00 C -ATOM 1413 C GLU A 85 -3.291 -10.616 3.938 1.00 0.00 C -ATOM 1414 O GLU A 85 -2.430 -11.011 3.149 1.00 0.00 O -ATOM 1415 CB GLU A 85 -5.572 -11.627 3.982 1.00 0.00 C -ATOM 1416 CG GLU A 85 -6.397 -12.845 4.327 1.00 0.00 C -ATOM 1417 CD GLU A 85 -5.714 -14.118 3.891 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -5.787 -14.475 2.694 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -5.081 -14.787 4.724 1.00 0.00 O -ATOM 1420 H GLU A 85 -5.227 -11.248 6.443 1.00 0.00 H -ATOM 1421 HA GLU A 85 -3.770 -12.599 4.524 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -6.117 -10.748 4.295 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -5.435 -11.596 2.915 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -6.548 -12.877 5.396 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -7.352 -12.776 3.827 1.00 0.00 H -ATOM 1426 N VAL A 86 -3.445 -9.337 4.263 1.00 0.00 N -ATOM 1427 CA VAL A 86 -2.620 -8.286 3.653 1.00 0.00 C -ATOM 1428 C VAL A 86 -1.130 -8.449 3.985 1.00 0.00 C -ATOM 1429 O VAL A 86 -0.274 -8.047 3.208 1.00 0.00 O -ATOM 1430 CB VAL A 86 -3.099 -6.845 4.015 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -4.464 -6.555 3.411 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -3.136 -6.630 5.521 1.00 0.00 C -ATOM 1433 H VAL A 86 -4.143 -9.093 4.901 1.00 0.00 H -ATOM 1434 HA VAL A 86 -2.715 -8.416 2.586 1.00 0.00 H -ATOM 1435 HB VAL A 86 -2.396 -6.146 3.586 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -4.779 -5.562 3.696 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -5.182 -7.277 3.770 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -4.405 -6.614 2.334 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -3.799 -7.357 5.967 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -3.493 -5.633 5.736 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -2.143 -6.752 5.929 1.00 0.00 H -ATOM 1442 N TYR A 87 -0.836 -9.075 5.115 1.00 0.00 N -ATOM 1443 CA TYR A 87 0.538 -9.297 5.528 1.00 0.00 C -ATOM 1444 C TYR A 87 1.063 -10.527 4.836 1.00 0.00 C -ATOM 1445 O TYR A 87 2.165 -10.525 4.301 1.00 0.00 O -ATOM 1446 CB TYR A 87 0.641 -9.495 7.044 1.00 0.00 C -ATOM 1447 CG TYR A 87 0.176 -8.325 7.868 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 -1.161 -8.162 8.177 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 1.075 -7.390 8.351 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 -1.592 -7.105 8.934 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 0.650 -6.329 9.118 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -0.689 -6.193 9.406 1.00 0.00 C -ATOM 1453 OH TYR A 87 -1.131 -5.140 10.176 1.00 0.00 O -ATOM 1454 H TYR A 87 -1.565 -9.428 5.666 1.00 0.00 H -ATOM 1455 HA TYR A 87 1.127 -8.441 5.237 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 0.042 -10.349 7.322 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 1.671 -9.695 7.297 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 -1.872 -8.883 7.802 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 2.123 -7.501 8.119 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 -2.640 -6.997 9.160 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 1.368 -5.613 9.485 1.00 0.00 H -ATOM 1462 HH TYR A 87 -1.755 -5.502 10.821 1.00 0.00 H -ATOM 1463 N SER A 88 0.241 -11.569 4.824 1.00 0.00 N -ATOM 1464 CA SER A 88 0.592 -12.827 4.208 1.00 0.00 C -ATOM 1465 C SER A 88 0.907 -12.628 2.723 1.00 0.00 C -ATOM 1466 O SER A 88 1.965 -13.026 2.266 1.00 0.00 O -ATOM 1467 CB SER A 88 -0.537 -13.860 4.403 1.00 0.00 C -ATOM 1468 OG SER A 88 -0.181 -15.156 3.898 1.00 0.00 O -ATOM 1469 H SER A 88 -0.632 -11.489 5.268 1.00 0.00 H -ATOM 1470 HA SER A 88 1.482 -13.191 4.701 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -0.766 -13.950 5.454 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -1.409 -13.513 3.869 1.00 0.00 H -ATOM 1473 HG SER A 88 -1.016 -15.569 3.641 1.00 0.00 H -ATOM 1474 N GLU A 89 0.025 -11.937 2.004 1.00 0.00 N -ATOM 1475 CA GLU A 89 0.196 -11.715 0.564 1.00 0.00 C -ATOM 1476 C GLU A 89 1.483 -10.909 0.286 1.00 0.00 C -ATOM 1477 O GLU A 89 2.142 -11.088 -0.743 1.00 0.00 O -ATOM 1478 CB GLU A 89 -1.036 -10.986 0.004 1.00 0.00 C -ATOM 1479 CG GLU A 89 -1.101 -10.924 -1.518 1.00 0.00 C -ATOM 1480 CD GLU A 89 -1.136 -12.300 -2.142 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -2.133 -13.031 -1.945 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -0.178 -12.679 -2.837 1.00 0.00 O -ATOM 1483 H GLU A 89 -0.775 -11.566 2.441 1.00 0.00 H -ATOM 1484 HA GLU A 89 0.282 -12.682 0.090 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -1.923 -11.493 0.354 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -1.039 -9.975 0.384 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -1.995 -10.391 -1.807 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -0.232 -10.399 -1.885 1.00 0.00 H -ATOM 1489 N ALA A 90 1.856 -10.069 1.232 1.00 0.00 N -ATOM 1490 CA ALA A 90 3.038 -9.255 1.102 1.00 0.00 C -ATOM 1491 C ALA A 90 4.305 -10.070 1.372 1.00 0.00 C -ATOM 1492 O ALA A 90 5.281 -9.982 0.625 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.960 -8.046 2.023 1.00 0.00 C -ATOM 1494 H ALA A 90 1.316 -10.008 2.048 1.00 0.00 H -ATOM 1495 HA ALA A 90 3.075 -8.904 0.084 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 2.945 -8.380 3.050 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 2.056 -7.492 1.813 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 3.818 -7.412 1.861 1.00 0.00 H -ATOM 1499 N VAL A 91 4.285 -10.879 2.419 1.00 0.00 N -ATOM 1500 CA VAL A 91 5.459 -11.659 2.787 1.00 0.00 C -ATOM 1501 C VAL A 91 5.635 -12.901 1.882 1.00 0.00 C -ATOM 1502 O VAL A 91 6.764 -13.282 1.553 1.00 0.00 O -ATOM 1503 CB VAL A 91 5.472 -12.036 4.303 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 4.339 -12.968 4.676 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 6.811 -12.612 4.717 1.00 0.00 C -ATOM 1506 H VAL A 91 3.470 -10.933 2.967 1.00 0.00 H -ATOM 1507 HA VAL A 91 6.305 -11.016 2.588 1.00 0.00 H -ATOM 1508 HB VAL A 91 5.321 -11.120 4.856 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 4.416 -13.881 4.105 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 3.400 -12.483 4.455 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 4.392 -13.196 5.730 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 7.018 -13.497 4.135 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 6.779 -12.869 5.766 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 7.586 -11.879 4.549 1.00 0.00 H -ATOM 1515 N LYS A 92 4.514 -13.492 1.437 1.00 0.00 N -ATOM 1516 CA LYS A 92 4.543 -14.653 0.522 1.00 0.00 C -ATOM 1517 C LYS A 92 5.128 -14.246 -0.825 1.00 0.00 C -ATOM 1518 O LYS A 92 5.585 -15.084 -1.592 1.00 0.00 O -ATOM 1519 CB LYS A 92 3.129 -15.247 0.278 1.00 0.00 C -ATOM 1520 CG LYS A 92 2.422 -15.896 1.476 1.00 0.00 C -ATOM 1521 CD LYS A 92 3.193 -17.069 2.052 1.00 0.00 C -ATOM 1522 CE LYS A 92 2.354 -17.844 3.075 1.00 0.00 C -ATOM 1523 NZ LYS A 92 1.894 -17.016 4.219 1.00 0.00 N -ATOM 1524 H LYS A 92 3.643 -13.149 1.745 1.00 0.00 H -ATOM 1525 HA LYS A 92 5.174 -15.409 0.964 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 2.486 -14.447 -0.061 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 3.203 -15.981 -0.509 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 2.297 -15.153 2.250 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 1.449 -16.238 1.154 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 3.473 -17.735 1.250 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 4.081 -16.695 2.539 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 1.484 -18.235 2.569 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 2.936 -18.671 3.450 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 2.688 -16.576 4.728 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 1.398 -17.618 4.908 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 1.226 -16.266 3.936 1.00 0.00 H -ATOM 1537 N ARG A 93 5.096 -12.955 -1.100 1.00 0.00 N -ATOM 1538 CA ARG A 93 5.611 -12.405 -2.335 1.00 0.00 C -ATOM 1539 C ARG A 93 7.114 -12.574 -2.443 1.00 0.00 C -ATOM 1540 O ARG A 93 7.646 -12.839 -3.524 1.00 0.00 O -ATOM 1541 CB ARG A 93 5.288 -10.919 -2.435 1.00 0.00 C -ATOM 1542 CG ARG A 93 5.868 -10.262 -3.671 1.00 0.00 C -ATOM 1543 CD ARG A 93 5.792 -8.766 -3.592 1.00 0.00 C -ATOM 1544 NE ARG A 93 6.304 -8.145 -4.809 1.00 0.00 N -ATOM 1545 CZ ARG A 93 5.769 -7.072 -5.363 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 4.871 -6.383 -4.697 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 6.162 -6.663 -6.553 1.00 0.00 N -ATOM 1548 H ARG A 93 4.700 -12.353 -0.436 1.00 0.00 H -ATOM 1549 HA ARG A 93 5.141 -12.910 -3.158 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 4.215 -10.798 -2.456 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 5.681 -10.417 -1.563 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 6.903 -10.555 -3.763 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 5.323 -10.604 -4.538 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 4.761 -8.477 -3.456 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 6.378 -8.427 -2.751 1.00 0.00 H -ATOM 1556 HE ARG A 93 7.053 -8.620 -5.240 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 4.588 -6.621 -3.771 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 4.358 -5.612 -5.122 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 6.880 -7.142 -7.069 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 5.709 -5.882 -6.991 1.00 0.00 H -ATOM 1561 N ILE A 94 7.769 -12.445 -1.326 1.00 0.00 N -ATOM 1562 CA ILE A 94 9.206 -12.389 -1.270 1.00 0.00 C -ATOM 1563 C ILE A 94 9.862 -13.642 -1.810 1.00 0.00 C -ATOM 1564 O ILE A 94 9.511 -14.771 -1.448 1.00 0.00 O -ATOM 1565 CB ILE A 94 9.680 -12.075 0.149 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 9.021 -10.777 0.591 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 11.208 -11.937 0.201 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 9.277 -10.439 2.007 1.00 0.00 C -ATOM 1569 H ILE A 94 7.262 -12.415 -0.487 1.00 0.00 H -ATOM 1570 HA ILE A 94 9.506 -11.568 -1.903 1.00 0.00 H -ATOM 1571 HB ILE A 94 9.367 -12.862 0.819 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 9.394 -9.965 -0.015 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 7.952 -10.855 0.451 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 11.522 -11.751 1.218 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 11.512 -11.110 -0.424 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 11.666 -12.845 -0.162 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 10.347 -10.364 2.132 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 8.867 -11.247 2.594 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 8.790 -9.504 2.235 1.00 0.00 H -ATOM 1580 N LEU A 95 10.769 -13.411 -2.706 1.00 0.00 N -ATOM 1581 CA LEU A 95 11.531 -14.424 -3.354 1.00 0.00 C -ATOM 1582 C LEU A 95 12.592 -14.925 -2.402 1.00 0.00 C -ATOM 1583 O LEU A 95 12.389 -15.966 -1.754 1.00 0.00 O -ATOM 1584 CB LEU A 95 12.188 -13.814 -4.581 1.00 0.00 C -ATOM 1585 CG LEU A 95 11.247 -13.234 -5.647 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 12.040 -12.649 -6.805 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 10.270 -14.291 -6.148 1.00 0.00 C -ATOM 1588 OXT LEU A 95 13.634 -14.253 -2.260 1.00 0.00 O -ATOM 1589 H LEU A 95 10.950 -12.481 -2.953 1.00 0.00 H -ATOM 1590 HA LEU A 95 10.887 -15.232 -3.665 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 12.772 -12.995 -4.184 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 12.844 -14.542 -5.033 1.00 0.00 H -ATOM 1593 HG LEU A 95 10.678 -12.431 -5.203 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 12.638 -13.423 -7.262 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 12.685 -11.865 -6.438 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 11.360 -12.237 -7.536 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 9.640 -13.861 -6.912 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 9.653 -14.630 -5.328 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 10.816 -15.128 -6.557 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 19 -ATOM 1 N MET A 1 10.299 15.261 -2.120 1.00 0.00 N -ATOM 2 CA MET A 1 10.644 14.142 -2.986 1.00 0.00 C -ATOM 3 C MET A 1 9.410 13.334 -3.179 1.00 0.00 C -ATOM 4 O MET A 1 8.705 13.069 -2.225 1.00 0.00 O -ATOM 5 CB MET A 1 11.724 13.269 -2.342 1.00 0.00 C -ATOM 6 CG MET A 1 12.217 12.118 -3.220 1.00 0.00 C -ATOM 7 SD MET A 1 13.476 11.097 -2.409 1.00 0.00 S -ATOM 8 CE MET A 1 13.830 9.911 -3.714 1.00 0.00 C -ATOM 9 H MET A 1 9.935 14.915 -1.211 1.00 0.00 H -ATOM 10 HA MET A 1 10.990 14.516 -3.938 1.00 0.00 H -ATOM 11 HB2 MET A 1 12.568 13.891 -2.084 1.00 0.00 H -ATOM 12 HB3 MET A 1 11.298 12.845 -1.446 1.00 0.00 H -ATOM 13 HG2 MET A 1 11.374 11.490 -3.468 1.00 0.00 H -ATOM 14 HG3 MET A 1 12.632 12.526 -4.129 1.00 0.00 H -ATOM 15 HE1 MET A 1 12.926 9.376 -3.967 1.00 0.00 H -ATOM 16 HE2 MET A 1 14.576 9.210 -3.369 1.00 0.00 H -ATOM 17 HE3 MET A 1 14.199 10.432 -4.585 1.00 0.00 H -ATOM 18 N ALA A 2 9.151 12.950 -4.388 1.00 0.00 N -ATOM 19 CA ALA A 2 7.968 12.190 -4.708 1.00 0.00 C -ATOM 20 C ALA A 2 8.361 10.862 -5.309 1.00 0.00 C -ATOM 21 O ALA A 2 9.437 10.733 -5.901 1.00 0.00 O -ATOM 22 CB ALA A 2 7.068 12.964 -5.657 1.00 0.00 C -ATOM 23 H ALA A 2 9.807 13.150 -5.090 1.00 0.00 H -ATOM 24 HA ALA A 2 7.429 12.013 -3.788 1.00 0.00 H -ATOM 25 HB1 ALA A 2 6.809 13.912 -5.210 1.00 0.00 H -ATOM 26 HB2 ALA A 2 6.168 12.394 -5.834 1.00 0.00 H -ATOM 27 HB3 ALA A 2 7.581 13.134 -6.592 1.00 0.00 H -ATOM 28 N TYR A 3 7.522 9.890 -5.147 1.00 0.00 N -ATOM 29 CA TYR A 3 7.781 8.559 -5.637 1.00 0.00 C -ATOM 30 C TYR A 3 6.681 8.157 -6.597 1.00 0.00 C -ATOM 31 O TYR A 3 5.601 8.756 -6.597 1.00 0.00 O -ATOM 32 CB TYR A 3 7.829 7.552 -4.471 1.00 0.00 C -ATOM 33 CG TYR A 3 8.985 7.720 -3.487 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.082 8.836 -2.664 1.00 0.00 C -ATOM 35 CD2 TYR A 3 9.966 6.747 -3.378 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.120 8.979 -1.769 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.004 6.880 -2.477 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.076 7.995 -1.677 1.00 0.00 C -ATOM 39 OH TYR A 3 12.111 8.125 -0.775 1.00 0.00 O -ATOM 40 H TYR A 3 6.669 10.058 -4.694 1.00 0.00 H -ATOM 41 HA TYR A 3 8.732 8.553 -6.147 1.00 0.00 H -ATOM 42 HB2 TYR A 3 6.915 7.639 -3.903 1.00 0.00 H -ATOM 43 HB3 TYR A 3 7.886 6.555 -4.883 1.00 0.00 H -ATOM 44 HD1 TYR A 3 8.328 9.608 -2.737 1.00 0.00 H -ATOM 45 HD2 TYR A 3 9.911 5.871 -4.007 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.176 9.855 -1.141 1.00 0.00 H -ATOM 47 HE2 TYR A 3 11.761 6.114 -2.401 1.00 0.00 H -ATOM 48 HH TYR A 3 12.894 7.692 -1.158 1.00 0.00 H -ATOM 49 N PHE A 4 6.952 7.176 -7.411 1.00 0.00 N -ATOM 50 CA PHE A 4 5.966 6.640 -8.322 1.00 0.00 C -ATOM 51 C PHE A 4 5.068 5.685 -7.550 1.00 0.00 C -ATOM 52 O PHE A 4 5.439 5.232 -6.480 1.00 0.00 O -ATOM 53 CB PHE A 4 6.649 5.921 -9.493 1.00 0.00 C -ATOM 54 CG PHE A 4 7.482 6.824 -10.361 1.00 0.00 C -ATOM 55 CD1 PHE A 4 6.879 7.714 -11.235 1.00 0.00 C -ATOM 56 CD2 PHE A 4 8.867 6.790 -10.298 1.00 0.00 C -ATOM 57 CE1 PHE A 4 7.637 8.549 -12.029 1.00 0.00 C -ATOM 58 CE2 PHE A 4 9.631 7.624 -11.090 1.00 0.00 C -ATOM 59 CZ PHE A 4 9.016 8.504 -11.957 1.00 0.00 C -ATOM 60 H PHE A 4 7.854 6.782 -7.396 1.00 0.00 H -ATOM 61 HA PHE A 4 5.371 7.460 -8.696 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.309 5.166 -9.091 1.00 0.00 H -ATOM 63 HB3 PHE A 4 5.906 5.439 -10.111 1.00 0.00 H -ATOM 64 HD1 PHE A 4 5.800 7.750 -11.293 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.349 6.102 -9.621 1.00 0.00 H -ATOM 66 HE1 PHE A 4 7.154 9.238 -12.707 1.00 0.00 H -ATOM 67 HE2 PHE A 4 10.710 7.587 -11.031 1.00 0.00 H -ATOM 68 HZ PHE A 4 9.611 9.158 -12.578 1.00 0.00 H -ATOM 69 N LEU A 5 3.908 5.400 -8.056 1.00 0.00 N -ATOM 70 CA LEU A 5 2.989 4.519 -7.361 1.00 0.00 C -ATOM 71 C LEU A 5 2.589 3.395 -8.325 1.00 0.00 C -ATOM 72 O LEU A 5 2.258 3.664 -9.497 1.00 0.00 O -ATOM 73 CB LEU A 5 1.744 5.338 -6.905 1.00 0.00 C -ATOM 74 CG LEU A 5 0.903 4.820 -5.702 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.345 3.430 -5.920 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.702 4.879 -4.417 1.00 0.00 C -ATOM 77 H LEU A 5 3.646 5.769 -8.928 1.00 0.00 H -ATOM 78 HA LEU A 5 3.489 4.103 -6.499 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.083 6.332 -6.654 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.087 5.421 -7.759 1.00 0.00 H -ATOM 81 HG LEU A 5 0.053 5.479 -5.582 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.180 3.107 -5.033 1.00 0.00 H -ATOM 83 HD12 LEU A 5 1.157 2.748 -6.123 1.00 0.00 H -ATOM 84 HD13 LEU A 5 -0.337 3.440 -6.758 1.00 0.00 H -ATOM 85 HD21 LEU A 5 1.101 4.500 -3.605 1.00 0.00 H -ATOM 86 HD22 LEU A 5 1.972 5.904 -4.209 1.00 0.00 H -ATOM 87 HD23 LEU A 5 2.591 4.276 -4.518 1.00 0.00 H -ATOM 88 N ASP A 6 2.655 2.157 -7.872 1.00 0.00 N -ATOM 89 CA ASP A 6 2.235 1.026 -8.691 1.00 0.00 C -ATOM 90 C ASP A 6 1.592 -0.033 -7.791 1.00 0.00 C -ATOM 91 O ASP A 6 1.869 -0.072 -6.587 1.00 0.00 O -ATOM 92 CB ASP A 6 3.427 0.431 -9.458 1.00 0.00 C -ATOM 93 CG ASP A 6 2.985 -0.443 -10.613 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.694 -1.617 -10.417 1.00 0.00 O -ATOM 95 OD2 ASP A 6 2.884 0.069 -11.745 1.00 0.00 O -ATOM 96 H ASP A 6 2.988 1.976 -6.963 1.00 0.00 H -ATOM 97 HA ASP A 6 1.494 1.384 -9.390 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.038 1.231 -9.850 1.00 0.00 H -ATOM 99 HB3 ASP A 6 4.012 -0.170 -8.778 1.00 0.00 H -ATOM 100 N PHE A 7 0.739 -0.866 -8.353 1.00 0.00 N -ATOM 101 CA PHE A 7 0.019 -1.884 -7.599 1.00 0.00 C -ATOM 102 C PHE A 7 0.338 -3.277 -8.114 1.00 0.00 C -ATOM 103 O PHE A 7 0.401 -3.501 -9.332 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.514 -1.689 -7.714 1.00 0.00 C -ATOM 105 CG PHE A 7 -2.076 -0.438 -7.094 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -2.070 0.763 -7.781 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.628 -0.474 -5.827 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.599 1.904 -7.214 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -3.160 0.664 -5.255 1.00 0.00 C -ATOM 110 CZ PHE A 7 -3.145 1.855 -5.950 1.00 0.00 C -ATOM 111 H PHE A 7 0.611 -0.827 -9.324 1.00 0.00 H -ATOM 112 HA PHE A 7 0.295 -1.803 -6.559 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.791 -1.681 -8.757 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.995 -2.536 -7.247 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.643 0.803 -8.772 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.637 -1.404 -5.280 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.583 2.836 -7.760 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.588 0.623 -4.265 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.560 2.748 -5.505 1.00 0.00 H -ATOM 120 N ASP A 8 0.545 -4.200 -7.203 1.00 0.00 N -ATOM 121 CA ASP A 8 0.660 -5.622 -7.540 1.00 0.00 C -ATOM 122 C ASP A 8 -0.669 -6.089 -8.124 1.00 0.00 C -ATOM 123 O ASP A 8 -1.704 -5.484 -7.824 1.00 0.00 O -ATOM 124 CB ASP A 8 0.991 -6.444 -6.284 1.00 0.00 C -ATOM 125 CG ASP A 8 0.899 -7.930 -6.525 1.00 0.00 C -ATOM 126 OD1 ASP A 8 1.833 -8.527 -7.080 1.00 0.00 O -ATOM 127 OD2 ASP A 8 -0.137 -8.526 -6.197 1.00 0.00 O -ATOM 128 H ASP A 8 0.636 -3.935 -6.261 1.00 0.00 H -ATOM 129 HA ASP A 8 1.442 -5.742 -8.276 1.00 0.00 H -ATOM 130 HB2 ASP A 8 1.997 -6.212 -5.964 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.300 -6.178 -5.499 1.00 0.00 H -ATOM 132 N GLU A 9 -0.660 -7.140 -8.946 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.883 -7.625 -9.572 1.00 0.00 C -ATOM 134 C GLU A 9 -2.984 -7.905 -8.539 1.00 0.00 C -ATOM 135 O GLU A 9 -4.131 -7.515 -8.746 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.649 -8.886 -10.413 1.00 0.00 C -ATOM 137 CG GLU A 9 -1.118 -10.075 -9.641 1.00 0.00 C -ATOM 138 CD GLU A 9 -1.280 -11.355 -10.392 1.00 0.00 C -ATOM 139 OE1 GLU A 9 -0.408 -11.702 -11.213 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -2.284 -12.051 -10.169 1.00 0.00 O -ATOM 141 H GLU A 9 0.189 -7.601 -9.126 1.00 0.00 H -ATOM 142 HA GLU A 9 -2.235 -6.839 -10.224 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -2.586 -9.180 -10.864 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.946 -8.648 -11.198 1.00 0.00 H -ATOM 145 HG2 GLU A 9 -0.070 -9.926 -9.429 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -1.662 -10.150 -8.712 1.00 0.00 H -ATOM 147 N ARG A 10 -2.627 -8.510 -7.403 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.615 -8.862 -6.409 1.00 0.00 C -ATOM 149 C ARG A 10 -4.121 -7.637 -5.711 1.00 0.00 C -ATOM 150 O ARG A 10 -5.321 -7.511 -5.452 1.00 0.00 O -ATOM 151 CB ARG A 10 -3.107 -9.901 -5.416 1.00 0.00 C -ATOM 152 CG ARG A 10 -2.794 -11.249 -6.045 1.00 0.00 C -ATOM 153 CD ARG A 10 -2.521 -12.281 -4.977 1.00 0.00 C -ATOM 154 NE ARG A 10 -2.289 -13.617 -5.524 1.00 0.00 N -ATOM 155 CZ ARG A 10 -2.368 -14.749 -4.809 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -2.676 -14.706 -3.516 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -2.130 -15.923 -5.389 1.00 0.00 N -ATOM 158 H ARG A 10 -1.674 -8.684 -7.210 1.00 0.00 H -ATOM 159 HA ARG A 10 -4.448 -9.277 -6.951 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -2.205 -9.528 -4.955 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.857 -10.050 -4.654 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -3.628 -11.570 -6.651 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -1.916 -11.150 -6.667 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -1.644 -11.983 -4.423 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -3.368 -12.320 -4.308 1.00 0.00 H -ATOM 166 HE ARG A 10 -2.055 -13.637 -6.481 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -2.855 -13.846 -3.016 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -2.738 -15.533 -2.952 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -1.895 -15.996 -6.360 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -2.162 -16.783 -4.872 1.00 0.00 H -ATOM 171 N ALA A 11 -3.223 -6.707 -5.473 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.577 -5.445 -4.866 1.00 0.00 C -ATOM 173 C ALA A 11 -4.493 -4.664 -5.801 1.00 0.00 C -ATOM 174 O ALA A 11 -5.405 -3.988 -5.367 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.329 -4.638 -4.547 1.00 0.00 C -ATOM 176 H ALA A 11 -2.287 -6.885 -5.709 1.00 0.00 H -ATOM 177 HA ALA A 11 -4.106 -5.651 -3.947 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.691 -5.201 -3.881 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -2.614 -3.710 -4.073 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -1.795 -4.426 -5.461 1.00 0.00 H -ATOM 181 N LEU A 12 -4.278 -4.824 -7.095 1.00 0.00 N -ATOM 182 CA LEU A 12 -5.054 -4.128 -8.093 1.00 0.00 C -ATOM 183 C LEU A 12 -6.449 -4.734 -8.177 1.00 0.00 C -ATOM 184 O LEU A 12 -7.424 -4.032 -8.447 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.369 -4.180 -9.462 1.00 0.00 C -ATOM 186 CG LEU A 12 -4.978 -3.307 -10.568 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -4.895 -1.828 -10.209 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -4.290 -3.580 -11.897 1.00 0.00 C -ATOM 189 H LEU A 12 -3.568 -5.446 -7.375 1.00 0.00 H -ATOM 190 HA LEU A 12 -5.135 -3.099 -7.777 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -3.326 -3.923 -9.351 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -4.445 -5.203 -9.791 1.00 0.00 H -ATOM 193 HG LEU A 12 -6.023 -3.558 -10.670 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -5.314 -1.240 -11.013 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -3.863 -1.549 -10.057 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -5.455 -1.645 -9.305 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -4.415 -4.618 -12.162 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -3.237 -3.358 -11.809 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.726 -2.955 -12.663 1.00 0.00 H -ATOM 200 N LYS A 13 -6.538 -6.044 -7.971 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.821 -6.744 -7.988 1.00 0.00 C -ATOM 202 C LYS A 13 -8.658 -6.273 -6.822 1.00 0.00 C -ATOM 203 O LYS A 13 -9.827 -5.944 -6.982 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.603 -8.254 -7.892 1.00 0.00 C -ATOM 205 CG LYS A 13 -6.797 -8.821 -9.038 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.344 -10.232 -8.764 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.377 -10.709 -9.842 1.00 0.00 C -ATOM 208 NZ LYS A 13 -4.926 -12.101 -9.628 1.00 0.00 N -ATOM 209 H LYS A 13 -5.717 -6.558 -7.798 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.327 -6.512 -8.914 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -7.079 -8.467 -6.971 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.565 -8.744 -7.874 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.408 -8.816 -9.926 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -5.930 -8.196 -9.197 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -5.831 -10.202 -7.816 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -7.202 -10.885 -8.709 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -5.879 -10.656 -10.796 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -4.519 -10.054 -9.850 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -4.672 -12.320 -8.644 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -4.035 -12.253 -10.156 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -5.615 -12.801 -9.969 1.00 0.00 H -ATOM 222 N GLU A 14 -8.026 -6.174 -5.664 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.688 -5.695 -4.478 1.00 0.00 C -ATOM 224 C GLU A 14 -9.041 -4.218 -4.624 1.00 0.00 C -ATOM 225 O GLU A 14 -10.095 -3.805 -4.230 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.806 -5.916 -3.263 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.490 -7.376 -2.995 1.00 0.00 C -ATOM 228 CD GLU A 14 -8.714 -8.198 -2.671 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -9.322 -7.990 -1.604 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -9.088 -9.078 -3.470 1.00 0.00 O -ATOM 231 H GLU A 14 -7.088 -6.459 -5.582 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.598 -6.261 -4.357 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.875 -5.389 -3.411 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.302 -5.513 -2.393 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -7.032 -7.785 -3.884 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.787 -7.440 -2.180 1.00 0.00 H -ATOM 237 N TRP A 15 -8.150 -3.458 -5.233 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.339 -2.022 -5.480 1.00 0.00 C -ATOM 239 C TRP A 15 -9.578 -1.759 -6.357 1.00 0.00 C -ATOM 240 O TRP A 15 -10.332 -0.811 -6.126 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.068 -1.461 -6.149 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.135 -0.026 -6.556 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.406 0.450 -7.801 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.911 1.117 -5.725 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.385 1.820 -7.797 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -7.077 2.257 -6.534 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.590 1.288 -4.374 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.931 3.548 -6.039 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.444 2.570 -3.887 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.614 3.684 -4.716 1.00 0.00 C -ATOM 251 H TRP A 15 -7.297 -3.865 -5.502 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.474 -1.533 -4.527 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.236 -1.567 -5.469 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -6.869 -2.050 -7.032 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -7.613 -0.187 -8.650 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.567 2.384 -8.582 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.457 0.438 -3.720 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -7.058 4.419 -6.666 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -6.194 2.722 -2.848 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.488 4.666 -4.287 1.00 0.00 H -ATOM 261 N ARG A 16 -9.777 -2.592 -7.352 1.00 0.00 N -ATOM 262 CA ARG A 16 -10.934 -2.469 -8.239 1.00 0.00 C -ATOM 263 C ARG A 16 -12.200 -2.929 -7.544 1.00 0.00 C -ATOM 264 O ARG A 16 -13.288 -2.383 -7.753 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.701 -3.268 -9.501 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.700 -2.640 -10.439 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.327 -3.597 -11.536 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.400 -4.630 -11.054 1.00 0.00 N -ATOM 269 CZ ARG A 16 -8.188 -5.804 -11.652 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -9.063 -6.273 -12.525 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -7.146 -6.543 -11.309 1.00 0.00 N -ATOM 272 H ARG A 16 -9.122 -3.311 -7.491 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.042 -1.429 -8.502 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.340 -4.251 -9.229 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.639 -3.370 -10.027 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.116 -1.743 -10.874 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.809 -2.395 -9.879 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -10.236 -4.075 -11.869 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -8.869 -3.051 -12.348 1.00 0.00 H -ATOM 280 HE ARG A 16 -7.867 -4.343 -10.277 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -9.907 -5.786 -12.765 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -8.924 -7.149 -12.997 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -6.474 -6.289 -10.614 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -6.979 -7.424 -11.767 1.00 0.00 H -ATOM 285 N LYS A 17 -12.027 -3.909 -6.708 1.00 0.00 N -ATOM 286 CA LYS A 17 -13.092 -4.511 -5.930 1.00 0.00 C -ATOM 287 C LYS A 17 -13.487 -3.608 -4.762 1.00 0.00 C -ATOM 288 O LYS A 17 -14.577 -3.746 -4.194 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.573 -5.832 -5.395 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.570 -6.706 -4.652 1.00 0.00 C -ATOM 291 CD LYS A 17 -12.866 -7.917 -4.050 1.00 0.00 C -ATOM 292 CE LYS A 17 -12.104 -8.693 -5.107 1.00 0.00 C -ATOM 293 NZ LYS A 17 -11.380 -9.844 -4.543 1.00 0.00 N -ATOM 294 H LYS A 17 -11.120 -4.275 -6.626 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.941 -4.703 -6.565 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -12.205 -6.390 -6.242 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.741 -5.623 -4.737 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -14.027 -6.128 -3.861 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -14.325 -7.047 -5.343 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -12.169 -7.584 -3.296 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -13.602 -8.566 -3.601 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -12.792 -9.019 -5.872 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -11.389 -8.000 -5.527 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -10.591 -9.522 -3.936 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -10.986 -10.451 -5.286 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -12.002 -10.435 -3.956 1.00 0.00 H -ATOM 307 N LEU A 18 -12.607 -2.705 -4.413 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.821 -1.835 -3.297 1.00 0.00 C -ATOM 309 C LEU A 18 -13.875 -0.797 -3.604 1.00 0.00 C -ATOM 310 O LEU A 18 -14.186 -0.529 -4.771 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.524 -1.144 -2.867 1.00 0.00 C -ATOM 312 CG LEU A 18 -10.996 -1.481 -1.465 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.751 -2.972 -1.293 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.730 -0.711 -1.199 1.00 0.00 C -ATOM 315 H LEU A 18 -11.778 -2.628 -4.929 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.140 -2.491 -2.501 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.752 -1.348 -3.591 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.714 -0.080 -2.892 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.727 -1.179 -0.732 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -11.677 -3.513 -1.426 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -10.368 -3.161 -0.301 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -10.032 -3.303 -2.027 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -9.943 0.348 -1.261 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -8.981 -0.973 -1.931 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.367 -0.943 -0.209 1.00 0.00 H -ATOM 326 N GLY A 19 -14.390 -0.199 -2.560 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.414 0.784 -2.698 1.00 0.00 C -ATOM 328 C GLY A 19 -14.869 2.097 -3.200 1.00 0.00 C -ATOM 329 O GLY A 19 -13.704 2.427 -2.949 1.00 0.00 O -ATOM 330 H GLY A 19 -14.041 -0.428 -1.677 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.148 0.411 -3.397 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -15.885 0.941 -1.739 1.00 0.00 H -ATOM 333 N SER A 20 -15.712 2.836 -3.867 1.00 0.00 N -ATOM 334 CA SER A 20 -15.401 4.120 -4.466 1.00 0.00 C -ATOM 335 C SER A 20 -14.786 5.105 -3.450 1.00 0.00 C -ATOM 336 O SER A 20 -13.691 5.627 -3.650 1.00 0.00 O -ATOM 337 CB SER A 20 -16.702 4.665 -5.031 1.00 0.00 C -ATOM 338 OG SER A 20 -17.752 4.522 -4.065 1.00 0.00 O -ATOM 339 H SER A 20 -16.633 2.516 -3.978 1.00 0.00 H -ATOM 340 HA SER A 20 -14.718 3.966 -5.286 1.00 0.00 H -ATOM 341 HB2 SER A 20 -16.585 5.713 -5.267 1.00 0.00 H -ATOM 342 HB3 SER A 20 -16.969 4.111 -5.918 1.00 0.00 H -ATOM 343 HG SER A 20 -18.508 5.026 -4.390 1.00 0.00 H -ATOM 344 N THR A 21 -15.478 5.299 -2.365 1.00 0.00 N -ATOM 345 CA THR A 21 -15.070 6.202 -1.313 1.00 0.00 C -ATOM 346 C THR A 21 -13.748 5.729 -0.687 1.00 0.00 C -ATOM 347 O THR A 21 -12.878 6.537 -0.331 1.00 0.00 O -ATOM 348 CB THR A 21 -16.155 6.229 -0.228 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.452 6.157 -0.862 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.068 7.517 0.584 1.00 0.00 C -ATOM 351 H THR A 21 -16.340 4.841 -2.296 1.00 0.00 H -ATOM 352 HA THR A 21 -14.958 7.196 -1.718 1.00 0.00 H -ATOM 353 HB THR A 21 -16.020 5.381 0.427 1.00 0.00 H -ATOM 354 HG1 THR A 21 -17.870 5.351 -0.536 1.00 0.00 H -ATOM 355 HG21 THR A 21 -16.195 8.364 -0.073 1.00 0.00 H -ATOM 356 HG22 THR A 21 -15.106 7.578 1.069 1.00 0.00 H -ATOM 357 HG23 THR A 21 -16.848 7.524 1.330 1.00 0.00 H -ATOM 358 N VAL A 22 -13.585 4.419 -0.616 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.421 3.833 -0.010 1.00 0.00 C -ATOM 360 C VAL A 22 -11.211 4.038 -0.914 1.00 0.00 C -ATOM 361 O VAL A 22 -10.178 4.525 -0.465 1.00 0.00 O -ATOM 362 CB VAL A 22 -12.629 2.320 0.251 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -11.427 1.722 0.954 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -13.897 2.075 1.059 1.00 0.00 C -ATOM 365 H VAL A 22 -14.259 3.835 -1.017 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.247 4.329 0.934 1.00 0.00 H -ATOM 367 HB VAL A 22 -12.736 1.829 -0.706 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -11.586 0.665 1.106 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -11.296 2.202 1.912 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -10.542 1.872 0.353 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.020 1.014 1.223 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -14.751 2.458 0.519 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -13.819 2.580 2.011 1.00 0.00 H -ATOM 374 N ARG A 23 -11.371 3.731 -2.202 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.287 3.905 -3.149 1.00 0.00 C -ATOM 376 C ARG A 23 -9.888 5.374 -3.280 1.00 0.00 C -ATOM 377 O ARG A 23 -8.705 5.684 -3.333 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.590 3.310 -4.537 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.783 3.923 -5.260 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.583 3.875 -6.756 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.674 4.508 -7.504 1.00 0.00 N -ATOM 382 CZ ARG A 23 -12.865 4.394 -8.826 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.062 3.631 -9.564 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.871 5.032 -9.400 1.00 0.00 N -ATOM 385 H ARG A 23 -12.224 3.348 -2.511 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.439 3.382 -2.731 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.719 3.426 -5.164 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.783 2.253 -4.406 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.640 3.310 -5.017 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.985 4.930 -4.926 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.657 4.374 -6.998 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -11.513 2.840 -7.045 1.00 0.00 H -ATOM 393 HE ARG A 23 -13.288 5.070 -6.977 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -11.300 3.118 -9.161 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -12.168 3.548 -10.559 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -14.497 5.606 -8.862 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -14.059 4.973 -10.382 1.00 0.00 H -ATOM 398 N GLU A 24 -10.877 6.273 -3.299 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.601 7.694 -3.408 1.00 0.00 C -ATOM 400 C GLU A 24 -9.783 8.197 -2.240 1.00 0.00 C -ATOM 401 O GLU A 24 -8.809 8.920 -2.434 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.871 8.520 -3.601 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.481 8.364 -4.982 1.00 0.00 C -ATOM 404 CD GLU A 24 -13.670 9.261 -5.210 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -13.484 10.487 -5.386 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -14.807 8.756 -5.254 1.00 0.00 O -ATOM 407 H GLU A 24 -11.812 5.970 -3.256 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.985 7.807 -4.288 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.597 8.190 -2.872 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.647 9.564 -3.437 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -11.730 8.600 -5.722 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.792 7.338 -5.107 1.00 0.00 H -ATOM 413 N GLN A 25 -10.133 7.774 -1.037 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.376 8.182 0.131 1.00 0.00 C -ATOM 415 C GLN A 25 -8.010 7.548 0.154 1.00 0.00 C -ATOM 416 O GLN A 25 -7.041 8.233 0.396 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.129 7.982 1.453 1.00 0.00 C -ATOM 418 CG GLN A 25 -10.823 9.252 1.978 1.00 0.00 C -ATOM 419 CD GLN A 25 -11.781 9.939 0.999 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -11.918 11.163 1.019 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -12.501 9.198 0.202 1.00 0.00 N -ATOM 422 H GLN A 25 -10.900 7.167 -0.947 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.206 9.241 -0.006 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.873 7.210 1.329 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.401 7.677 2.197 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.392 8.988 2.857 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -10.057 9.960 2.262 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -12.429 8.217 0.245 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -13.091 9.656 -0.434 1.00 0.00 H -ATOM 430 N LEU A 26 -7.923 6.255 -0.163 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.629 5.567 -0.215 1.00 0.00 C -ATOM 432 C LEU A 26 -5.706 6.228 -1.213 1.00 0.00 C -ATOM 433 O LEU A 26 -4.527 6.403 -0.943 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.781 4.090 -0.551 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.444 3.219 0.509 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.591 1.808 0.002 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.648 3.232 1.809 1.00 0.00 C -ATOM 438 H LEU A 26 -8.743 5.747 -0.358 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.180 5.662 0.763 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.372 4.025 -1.453 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.798 3.692 -0.757 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.432 3.603 0.708 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -8.076 1.204 0.753 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -6.615 1.399 -0.208 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.188 1.807 -0.899 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -5.641 2.891 1.619 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -7.120 2.570 2.519 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -6.623 4.231 2.218 1.00 0.00 H -ATOM 449 N LYS A 27 -6.263 6.618 -2.349 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.519 7.321 -3.374 1.00 0.00 C -ATOM 451 C LYS A 27 -4.959 8.626 -2.813 1.00 0.00 C -ATOM 452 O LYS A 27 -3.794 8.925 -2.998 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.441 7.649 -4.534 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.777 8.428 -5.656 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.796 8.955 -6.642 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.725 9.983 -5.992 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.707 10.516 -6.951 1.00 0.00 N -ATOM 458 H LYS A 27 -7.208 6.397 -2.509 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.718 6.692 -3.729 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.837 6.730 -4.942 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.256 8.235 -4.141 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.239 9.261 -5.228 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -5.086 7.778 -6.172 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -6.273 9.424 -7.462 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.385 8.129 -7.010 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -8.262 9.522 -5.176 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -7.119 10.792 -5.609 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -8.218 11.028 -7.710 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -9.384 11.157 -6.490 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -9.256 9.745 -7.383 1.00 0.00 H -ATOM 471 N LYS A 28 -5.792 9.360 -2.077 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.383 10.629 -1.468 1.00 0.00 C -ATOM 473 C LYS A 28 -4.281 10.382 -0.469 1.00 0.00 C -ATOM 474 O LYS A 28 -3.326 11.155 -0.375 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.554 11.307 -0.754 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.723 11.662 -1.641 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.861 12.232 -0.821 1.00 0.00 C -ATOM 478 CE LYS A 28 -10.083 12.500 -1.675 1.00 0.00 C -ATOM 479 NZ LYS A 28 -11.191 13.042 -0.867 1.00 0.00 N -ATOM 480 H LYS A 28 -6.710 9.038 -1.936 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.020 11.279 -2.251 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.915 10.643 0.019 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.193 12.212 -0.290 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.407 12.399 -2.365 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -8.066 10.774 -2.150 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.127 11.529 -0.045 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.538 13.159 -0.371 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -9.827 13.210 -2.446 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.397 11.572 -2.129 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -11.465 12.374 -0.114 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -12.040 13.202 -1.447 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -10.938 13.949 -0.430 1.00 0.00 H -ATOM 493 N LYS A 29 -4.402 9.275 0.246 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.438 8.895 1.252 1.00 0.00 C -ATOM 495 C LYS A 29 -2.103 8.558 0.623 1.00 0.00 C -ATOM 496 O LYS A 29 -1.053 8.826 1.207 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.953 7.744 2.136 1.00 0.00 C -ATOM 498 CG LYS A 29 -5.310 8.017 2.792 1.00 0.00 C -ATOM 499 CD LYS A 29 -5.289 9.248 3.677 1.00 0.00 C -ATOM 500 CE LYS A 29 -4.572 8.980 4.969 1.00 0.00 C -ATOM 501 NZ LYS A 29 -4.298 10.220 5.722 1.00 0.00 N -ATOM 502 H LYS A 29 -5.191 8.710 0.093 1.00 0.00 H -ATOM 503 HA LYS A 29 -3.279 9.768 1.859 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -4.045 6.860 1.523 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -3.229 7.556 2.913 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -6.047 8.165 2.017 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -5.586 7.157 3.386 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -4.804 10.064 3.165 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -6.311 9.523 3.898 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -5.245 8.355 5.541 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -3.659 8.443 4.770 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -3.631 10.823 5.190 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -3.870 10.001 6.644 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -5.177 10.754 5.874 1.00 0.00 H -ATOM 515 N LEU A 30 -2.150 7.973 -0.548 1.00 0.00 N -ATOM 516 CA LEU A 30 -0.963 7.694 -1.314 1.00 0.00 C -ATOM 517 C LEU A 30 -0.358 9.004 -1.803 1.00 0.00 C -ATOM 518 O LEU A 30 0.833 9.229 -1.679 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.292 6.781 -2.497 1.00 0.00 C -ATOM 520 CG LEU A 30 -1.908 5.425 -2.134 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.255 4.637 -3.381 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -0.978 4.631 -1.229 1.00 0.00 C -ATOM 523 H LEU A 30 -3.021 7.692 -0.909 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.262 7.194 -0.663 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -1.980 7.305 -3.145 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.380 6.598 -3.046 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.830 5.601 -1.600 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -2.983 5.184 -3.961 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -2.659 3.676 -3.103 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -1.362 4.498 -3.970 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -0.028 4.483 -1.720 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -1.426 3.673 -1.010 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.832 5.178 -0.309 1.00 0.00 H -ATOM 534 N VAL A 31 -1.218 9.890 -2.283 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.815 11.188 -2.818 1.00 0.00 C -ATOM 536 C VAL A 31 -0.097 12.049 -1.756 1.00 0.00 C -ATOM 537 O VAL A 31 0.951 12.659 -2.035 1.00 0.00 O -ATOM 538 CB VAL A 31 -2.057 11.944 -3.404 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -1.742 13.383 -3.754 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -2.565 11.223 -4.633 1.00 0.00 C -ATOM 541 H VAL A 31 -2.172 9.648 -2.288 1.00 0.00 H -ATOM 542 HA VAL A 31 -0.121 10.998 -3.625 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.856 11.937 -2.674 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -0.957 13.411 -4.495 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -1.423 13.889 -2.856 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -2.633 13.856 -4.140 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -1.790 11.177 -5.383 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -3.428 11.743 -5.022 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -2.847 10.221 -4.339 1.00 0.00 H -ATOM 550 N GLU A 32 -0.639 12.093 -0.558 1.00 0.00 N -ATOM 551 CA GLU A 32 -0.001 12.818 0.529 1.00 0.00 C -ATOM 552 C GLU A 32 1.303 12.118 0.977 1.00 0.00 C -ATOM 553 O GLU A 32 2.370 12.759 1.102 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.974 13.021 1.714 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.594 11.737 2.223 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.463 11.897 3.438 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -3.567 12.433 3.336 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -2.073 11.425 4.527 1.00 0.00 O -ATOM 559 H GLU A 32 -1.503 11.645 -0.408 1.00 0.00 H -ATOM 560 HA GLU A 32 0.273 13.784 0.132 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.454 13.496 2.533 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.773 13.668 1.384 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -2.200 11.337 1.425 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.800 11.039 2.445 1.00 0.00 H -ATOM 565 N VAL A 33 1.231 10.797 1.118 1.00 0.00 N -ATOM 566 CA VAL A 33 2.317 10.007 1.666 1.00 0.00 C -ATOM 567 C VAL A 33 3.576 10.078 0.808 1.00 0.00 C -ATOM 568 O VAL A 33 4.650 9.995 1.323 1.00 0.00 O -ATOM 569 CB VAL A 33 1.924 8.532 1.994 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.048 7.595 0.796 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.702 8.023 3.193 1.00 0.00 C -ATOM 572 H VAL A 33 0.413 10.328 0.841 1.00 0.00 H -ATOM 573 HA VAL A 33 2.567 10.500 2.595 1.00 0.00 H -ATOM 574 HB VAL A 33 0.879 8.545 2.265 1.00 0.00 H -ATOM 575 HG11 VAL A 33 1.445 7.978 -0.014 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.708 6.607 1.066 1.00 0.00 H -ATOM 577 HG13 VAL A 33 3.081 7.549 0.483 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.457 6.988 3.379 1.00 0.00 H -ATOM 579 HG22 VAL A 33 2.446 8.615 4.061 1.00 0.00 H -ATOM 580 HG23 VAL A 33 3.756 8.121 2.992 1.00 0.00 H -ATOM 581 N LEU A 34 3.412 10.268 -0.500 1.00 0.00 N -ATOM 582 CA LEU A 34 4.526 10.275 -1.459 1.00 0.00 C -ATOM 583 C LEU A 34 5.651 11.247 -1.099 1.00 0.00 C -ATOM 584 O LEU A 34 6.793 10.992 -1.465 1.00 0.00 O -ATOM 585 CB LEU A 34 4.028 10.587 -2.879 1.00 0.00 C -ATOM 586 CG LEU A 34 3.139 9.538 -3.547 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.671 10.025 -4.905 1.00 0.00 C -ATOM 588 CD2 LEU A 34 3.876 8.213 -3.688 1.00 0.00 C -ATOM 589 H LEU A 34 2.501 10.385 -0.841 1.00 0.00 H -ATOM 590 HA LEU A 34 4.948 9.282 -1.476 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.472 11.512 -2.834 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.888 10.751 -3.513 1.00 0.00 H -ATOM 593 HG LEU A 34 2.265 9.376 -2.934 1.00 0.00 H -ATOM 594 HD11 LEU A 34 2.044 9.273 -5.362 1.00 0.00 H -ATOM 595 HD12 LEU A 34 3.527 10.212 -5.536 1.00 0.00 H -ATOM 596 HD13 LEU A 34 2.105 10.937 -4.786 1.00 0.00 H -ATOM 597 HD21 LEU A 34 4.785 8.366 -4.250 1.00 0.00 H -ATOM 598 HD22 LEU A 34 3.249 7.519 -4.228 1.00 0.00 H -ATOM 599 HD23 LEU A 34 4.110 7.810 -2.714 1.00 0.00 H -ATOM 600 N GLU A 35 5.356 12.329 -0.362 1.00 0.00 N -ATOM 601 CA GLU A 35 6.428 13.271 -0.005 1.00 0.00 C -ATOM 602 C GLU A 35 7.262 12.749 1.164 1.00 0.00 C -ATOM 603 O GLU A 35 8.443 13.107 1.327 1.00 0.00 O -ATOM 604 CB GLU A 35 5.892 14.670 0.300 1.00 0.00 C -ATOM 605 CG GLU A 35 4.910 14.735 1.448 1.00 0.00 C -ATOM 606 CD GLU A 35 4.365 16.112 1.629 1.00 0.00 C -ATOM 607 OE1 GLU A 35 3.343 16.442 0.987 1.00 0.00 O -ATOM 608 OE2 GLU A 35 4.942 16.898 2.420 1.00 0.00 O -ATOM 609 H GLU A 35 4.432 12.481 -0.060 1.00 0.00 H -ATOM 610 HA GLU A 35 7.083 13.326 -0.864 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.728 15.307 0.551 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.411 15.071 -0.578 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.090 14.060 1.248 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.408 14.433 2.357 1.00 0.00 H -ATOM 615 N SER A 36 6.661 11.897 1.964 1.00 0.00 N -ATOM 616 CA SER A 36 7.308 11.317 3.116 1.00 0.00 C -ATOM 617 C SER A 36 6.772 9.908 3.382 1.00 0.00 C -ATOM 618 O SER A 36 6.034 9.696 4.327 1.00 0.00 O -ATOM 619 CB SER A 36 7.122 12.200 4.359 1.00 0.00 C -ATOM 620 OG SER A 36 7.666 13.508 4.169 1.00 0.00 O -ATOM 621 H SER A 36 5.749 11.597 1.753 1.00 0.00 H -ATOM 622 HA SER A 36 8.360 11.230 2.903 1.00 0.00 H -ATOM 623 HB2 SER A 36 6.068 12.292 4.574 1.00 0.00 H -ATOM 624 HB3 SER A 36 7.622 11.732 5.195 1.00 0.00 H -ATOM 625 HG SER A 36 8.499 13.541 4.651 1.00 0.00 H -ATOM 626 N PRO A 37 7.080 8.932 2.508 1.00 0.00 N -ATOM 627 CA PRO A 37 6.605 7.568 2.691 1.00 0.00 C -ATOM 628 C PRO A 37 7.493 6.784 3.644 1.00 0.00 C -ATOM 629 O PRO A 37 7.125 5.736 4.122 1.00 0.00 O -ATOM 630 CB PRO A 37 6.663 6.992 1.280 1.00 0.00 C -ATOM 631 CG PRO A 37 7.806 7.698 0.641 1.00 0.00 C -ATOM 632 CD PRO A 37 7.827 9.086 1.231 1.00 0.00 C -ATOM 633 HA PRO A 37 5.593 7.540 3.061 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.816 5.925 1.327 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.737 7.202 0.765 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.726 7.179 0.868 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.659 7.748 -0.427 1.00 0.00 H -ATOM 638 HD2 PRO A 37 8.837 9.421 1.409 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.301 9.768 0.577 1.00 0.00 H -ATOM 640 N ARG A 38 8.642 7.348 3.963 1.00 0.00 N -ATOM 641 CA ARG A 38 9.624 6.706 4.826 1.00 0.00 C -ATOM 642 C ARG A 38 9.350 6.921 6.333 1.00 0.00 C -ATOM 643 O ARG A 38 10.281 7.041 7.145 1.00 0.00 O -ATOM 644 CB ARG A 38 11.071 7.089 4.389 1.00 0.00 C -ATOM 645 CG ARG A 38 11.366 8.587 4.147 1.00 0.00 C -ATOM 646 CD ARG A 38 11.441 9.417 5.424 1.00 0.00 C -ATOM 647 NE ARG A 38 11.849 10.805 5.147 1.00 0.00 N -ATOM 648 CZ ARG A 38 12.569 11.581 5.987 1.00 0.00 C -ATOM 649 NH1 ARG A 38 12.874 11.142 7.214 1.00 0.00 N -ATOM 650 NH2 ARG A 38 12.976 12.791 5.598 1.00 0.00 N -ATOM 651 H ARG A 38 8.813 8.233 3.579 1.00 0.00 H -ATOM 652 HA ARG A 38 9.496 5.647 4.652 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.753 6.750 5.154 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.294 6.551 3.479 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.305 8.675 3.626 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.582 8.986 3.517 1.00 0.00 H -ATOM 657 HD2 ARG A 38 10.470 9.421 5.897 1.00 0.00 H -ATOM 658 HD3 ARG A 38 12.164 8.966 6.086 1.00 0.00 H -ATOM 659 HE ARG A 38 11.590 11.143 4.258 1.00 0.00 H -ATOM 660 HH11 ARG A 38 12.586 10.246 7.566 1.00 0.00 H -ATOM 661 HH12 ARG A 38 13.437 11.689 7.842 1.00 0.00 H -ATOM 662 HH21 ARG A 38 12.775 13.166 4.688 1.00 0.00 H -ATOM 663 HH22 ARG A 38 13.514 13.387 6.205 1.00 0.00 H -ATOM 664 N ILE A 39 8.082 6.874 6.695 1.00 0.00 N -ATOM 665 CA ILE A 39 7.634 7.047 8.074 1.00 0.00 C -ATOM 666 C ILE A 39 7.767 5.704 8.806 1.00 0.00 C -ATOM 667 O ILE A 39 6.979 4.778 8.571 1.00 0.00 O -ATOM 668 CB ILE A 39 6.147 7.530 8.111 1.00 0.00 C -ATOM 669 CG1 ILE A 39 6.012 8.874 7.379 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.632 7.647 9.545 1.00 0.00 C -ATOM 671 CD1 ILE A 39 4.593 9.403 7.288 1.00 0.00 C -ATOM 672 H ILE A 39 7.420 6.677 5.997 1.00 0.00 H -ATOM 673 HA ILE A 39 8.265 7.783 8.551 1.00 0.00 H -ATOM 674 HB ILE A 39 5.544 6.797 7.597 1.00 0.00 H -ATOM 675 HG12 ILE A 39 6.601 9.617 7.896 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.391 8.763 6.374 1.00 0.00 H -ATOM 677 HG21 ILE A 39 6.215 8.386 10.075 1.00 0.00 H -ATOM 678 HG22 ILE A 39 5.729 6.691 10.040 1.00 0.00 H -ATOM 679 HG23 ILE A 39 4.594 7.946 9.533 1.00 0.00 H -ATOM 680 HD11 ILE A 39 4.606 10.336 6.744 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.203 9.565 8.283 1.00 0.00 H -ATOM 682 HD13 ILE A 39 3.975 8.690 6.764 1.00 0.00 H -ATOM 683 N GLU A 40 8.749 5.609 9.698 1.00 0.00 N -ATOM 684 CA GLU A 40 9.085 4.350 10.369 1.00 0.00 C -ATOM 685 C GLU A 40 7.949 3.800 11.228 1.00 0.00 C -ATOM 686 O GLU A 40 7.866 2.591 11.445 1.00 0.00 O -ATOM 687 CB GLU A 40 10.380 4.460 11.186 1.00 0.00 C -ATOM 688 CG GLU A 40 10.357 5.526 12.261 1.00 0.00 C -ATOM 689 CD GLU A 40 11.590 5.513 13.108 1.00 0.00 C -ATOM 690 OE1 GLU A 40 12.632 6.029 12.668 1.00 0.00 O -ATOM 691 OE2 GLU A 40 11.543 4.993 14.241 1.00 0.00 O -ATOM 692 H GLU A 40 9.249 6.420 9.932 1.00 0.00 H -ATOM 693 HA GLU A 40 9.253 3.634 9.578 1.00 0.00 H -ATOM 694 HB2 GLU A 40 10.570 3.511 11.664 1.00 0.00 H -ATOM 695 HB3 GLU A 40 11.196 4.677 10.512 1.00 0.00 H -ATOM 696 HG2 GLU A 40 10.283 6.492 11.786 1.00 0.00 H -ATOM 697 HG3 GLU A 40 9.496 5.365 12.894 1.00 0.00 H -ATOM 698 N ALA A 41 7.062 4.666 11.671 1.00 0.00 N -ATOM 699 CA ALA A 41 5.930 4.264 12.504 1.00 0.00 C -ATOM 700 C ALA A 41 4.967 3.344 11.745 1.00 0.00 C -ATOM 701 O ALA A 41 4.249 2.538 12.350 1.00 0.00 O -ATOM 702 CB ALA A 41 5.190 5.491 13.016 1.00 0.00 C -ATOM 703 H ALA A 41 7.191 5.618 11.458 1.00 0.00 H -ATOM 704 HA ALA A 41 6.323 3.727 13.355 1.00 0.00 H -ATOM 705 HB1 ALA A 41 5.879 6.135 13.541 1.00 0.00 H -ATOM 706 HB2 ALA A 41 4.401 5.185 13.687 1.00 0.00 H -ATOM 707 HB3 ALA A 41 4.763 6.028 12.181 1.00 0.00 H -ATOM 708 N ASN A 42 4.987 3.432 10.425 1.00 0.00 N -ATOM 709 CA ASN A 42 4.091 2.633 9.599 1.00 0.00 C -ATOM 710 C ASN A 42 4.779 1.387 9.075 1.00 0.00 C -ATOM 711 O ASN A 42 4.161 0.592 8.369 1.00 0.00 O -ATOM 712 CB ASN A 42 3.524 3.450 8.420 1.00 0.00 C -ATOM 713 CG ASN A 42 2.621 4.596 8.847 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.955 4.539 9.880 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.586 5.645 8.053 1.00 0.00 N -ATOM 716 H ASN A 42 5.621 4.045 9.994 1.00 0.00 H -ATOM 717 HA ASN A 42 3.267 2.319 10.221 1.00 0.00 H -ATOM 718 HB2 ASN A 42 4.345 3.866 7.857 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.958 2.789 7.779 1.00 0.00 H -ATOM 720 HD21 ASN A 42 3.133 5.630 7.240 1.00 0.00 H -ATOM 721 HD22 ASN A 42 2.009 6.392 8.310 1.00 0.00 H -ATOM 722 N LYS A 43 6.053 1.211 9.422 1.00 0.00 N -ATOM 723 CA LYS A 43 6.817 0.052 8.961 1.00 0.00 C -ATOM 724 C LYS A 43 6.402 -1.201 9.682 1.00 0.00 C -ATOM 725 O LYS A 43 6.170 -1.194 10.894 1.00 0.00 O -ATOM 726 CB LYS A 43 8.340 0.251 9.101 1.00 0.00 C -ATOM 727 CG LYS A 43 8.897 1.302 8.170 1.00 0.00 C -ATOM 728 CD LYS A 43 10.405 1.582 8.327 1.00 0.00 C -ATOM 729 CE LYS A 43 11.316 0.463 7.797 1.00 0.00 C -ATOM 730 NZ LYS A 43 11.393 -0.729 8.669 1.00 0.00 N -ATOM 731 H LYS A 43 6.474 1.857 10.027 1.00 0.00 H -ATOM 732 HA LYS A 43 6.587 -0.078 7.914 1.00 0.00 H -ATOM 733 HB2 LYS A 43 8.566 0.538 10.117 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.818 -0.692 8.882 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.742 0.953 7.159 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.344 2.218 8.312 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.644 2.489 7.792 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.611 1.736 9.376 1.00 0.00 H -ATOM 739 HE2 LYS A 43 10.952 0.150 6.830 1.00 0.00 H -ATOM 740 HE3 LYS A 43 12.308 0.871 7.677 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 11.984 -1.455 8.214 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 10.472 -1.153 8.887 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 11.853 -0.482 9.571 1.00 0.00 H -ATOM 744 N LEU A 44 6.302 -2.261 8.939 1.00 0.00 N -ATOM 745 CA LEU A 44 5.954 -3.548 9.484 1.00 0.00 C -ATOM 746 C LEU A 44 7.210 -4.196 10.062 1.00 0.00 C -ATOM 747 O LEU A 44 8.286 -4.078 9.487 1.00 0.00 O -ATOM 748 CB LEU A 44 5.340 -4.415 8.397 1.00 0.00 C -ATOM 749 CG LEU A 44 4.138 -3.808 7.673 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.609 -4.753 6.620 1.00 0.00 C -ATOM 751 CD2 LEU A 44 3.049 -3.433 8.654 1.00 0.00 C -ATOM 752 H LEU A 44 6.462 -2.158 7.975 1.00 0.00 H -ATOM 753 HA LEU A 44 5.231 -3.391 10.270 1.00 0.00 H -ATOM 754 HB2 LEU A 44 6.106 -4.602 7.663 1.00 0.00 H -ATOM 755 HB3 LEU A 44 5.033 -5.354 8.833 1.00 0.00 H -ATOM 756 HG LEU A 44 4.460 -2.911 7.166 1.00 0.00 H -ATOM 757 HD11 LEU A 44 3.337 -5.691 7.084 1.00 0.00 H -ATOM 758 HD12 LEU A 44 4.363 -4.922 5.866 1.00 0.00 H -ATOM 759 HD13 LEU A 44 2.734 -4.318 6.163 1.00 0.00 H -ATOM 760 HD21 LEU A 44 2.739 -4.310 9.203 1.00 0.00 H -ATOM 761 HD22 LEU A 44 2.208 -3.035 8.107 1.00 0.00 H -ATOM 762 HD23 LEU A 44 3.416 -2.684 9.338 1.00 0.00 H -ATOM 763 N ARG A 45 7.069 -4.873 11.174 1.00 0.00 N -ATOM 764 CA ARG A 45 8.191 -5.430 11.919 1.00 0.00 C -ATOM 765 C ARG A 45 8.893 -6.583 11.199 1.00 0.00 C -ATOM 766 O ARG A 45 10.127 -6.650 11.175 1.00 0.00 O -ATOM 767 CB ARG A 45 7.721 -5.877 13.294 1.00 0.00 C -ATOM 768 CG ARG A 45 7.219 -4.745 14.167 1.00 0.00 C -ATOM 769 CD ARG A 45 6.724 -5.252 15.507 1.00 0.00 C -ATOM 770 NE ARG A 45 6.256 -4.154 16.354 1.00 0.00 N -ATOM 771 CZ ARG A 45 5.462 -4.278 17.419 1.00 0.00 C -ATOM 772 NH1 ARG A 45 5.022 -5.479 17.804 1.00 0.00 N -ATOM 773 NH2 ARG A 45 5.115 -3.193 18.100 1.00 0.00 N -ATOM 774 H ARG A 45 6.165 -5.020 11.532 1.00 0.00 H -ATOM 775 HA ARG A 45 8.905 -4.634 12.063 1.00 0.00 H -ATOM 776 HB2 ARG A 45 6.922 -6.595 13.172 1.00 0.00 H -ATOM 777 HB3 ARG A 45 8.547 -6.356 13.793 1.00 0.00 H -ATOM 778 HG2 ARG A 45 8.025 -4.045 14.334 1.00 0.00 H -ATOM 779 HG3 ARG A 45 6.408 -4.245 13.659 1.00 0.00 H -ATOM 780 HD2 ARG A 45 5.909 -5.943 15.344 1.00 0.00 H -ATOM 781 HD3 ARG A 45 7.534 -5.760 16.009 1.00 0.00 H -ATOM 782 HE ARG A 45 6.574 -3.259 16.091 1.00 0.00 H -ATOM 783 HH11 ARG A 45 5.260 -6.331 17.330 1.00 0.00 H -ATOM 784 HH12 ARG A 45 4.412 -5.592 18.593 1.00 0.00 H -ATOM 785 HH21 ARG A 45 5.453 -2.294 17.804 1.00 0.00 H -ATOM 786 HH22 ARG A 45 4.530 -3.220 18.914 1.00 0.00 H -ATOM 787 N GLY A 46 8.124 -7.471 10.610 1.00 0.00 N -ATOM 788 CA GLY A 46 8.704 -8.632 9.949 1.00 0.00 C -ATOM 789 C GLY A 46 8.858 -8.431 8.466 1.00 0.00 C -ATOM 790 O GLY A 46 8.993 -9.395 7.698 1.00 0.00 O -ATOM 791 H GLY A 46 7.149 -7.357 10.614 1.00 0.00 H -ATOM 792 HA2 GLY A 46 9.680 -8.822 10.369 1.00 0.00 H -ATOM 793 HA3 GLY A 46 8.076 -9.493 10.119 1.00 0.00 H -ATOM 794 N MET A 47 8.826 -7.197 8.055 1.00 0.00 N -ATOM 795 CA MET A 47 8.947 -6.845 6.667 1.00 0.00 C -ATOM 796 C MET A 47 10.002 -5.755 6.597 1.00 0.00 C -ATOM 797 O MET A 47 10.129 -4.975 7.539 1.00 0.00 O -ATOM 798 CB MET A 47 7.604 -6.331 6.129 1.00 0.00 C -ATOM 799 CG MET A 47 6.413 -7.275 6.365 1.00 0.00 C -ATOM 800 SD MET A 47 6.466 -8.810 5.405 1.00 0.00 S -ATOM 801 CE MET A 47 6.042 -8.217 3.773 1.00 0.00 C -ATOM 802 H MET A 47 8.755 -6.472 8.713 1.00 0.00 H -ATOM 803 HA MET A 47 9.270 -7.714 6.112 1.00 0.00 H -ATOM 804 HB2 MET A 47 7.407 -5.374 6.585 1.00 0.00 H -ATOM 805 HB3 MET A 47 7.706 -6.174 5.065 1.00 0.00 H -ATOM 806 HG2 MET A 47 6.395 -7.538 7.412 1.00 0.00 H -ATOM 807 HG3 MET A 47 5.501 -6.746 6.126 1.00 0.00 H -ATOM 808 HE1 MET A 47 5.048 -7.796 3.817 1.00 0.00 H -ATOM 809 HE2 MET A 47 6.049 -9.046 3.079 1.00 0.00 H -ATOM 810 HE3 MET A 47 6.746 -7.460 3.459 1.00 0.00 H -ATOM 811 N PRO A 48 10.802 -5.706 5.541 1.00 0.00 N -ATOM 812 CA PRO A 48 11.891 -4.731 5.438 1.00 0.00 C -ATOM 813 C PRO A 48 11.431 -3.259 5.292 1.00 0.00 C -ATOM 814 O PRO A 48 11.451 -2.479 6.259 1.00 0.00 O -ATOM 815 CB PRO A 48 12.679 -5.191 4.202 1.00 0.00 C -ATOM 816 CG PRO A 48 11.723 -6.016 3.402 1.00 0.00 C -ATOM 817 CD PRO A 48 10.759 -6.625 4.380 1.00 0.00 C -ATOM 818 HA PRO A 48 12.531 -4.792 6.304 1.00 0.00 H -ATOM 819 HB2 PRO A 48 13.011 -4.325 3.647 1.00 0.00 H -ATOM 820 HB3 PRO A 48 13.534 -5.771 4.514 1.00 0.00 H -ATOM 821 HG2 PRO A 48 11.195 -5.389 2.698 1.00 0.00 H -ATOM 822 HG3 PRO A 48 12.261 -6.790 2.874 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.765 -6.663 3.958 1.00 0.00 H -ATOM 824 HD3 PRO A 48 11.088 -7.613 4.664 1.00 0.00 H -ATOM 825 N ASP A 49 10.951 -2.922 4.116 1.00 0.00 N -ATOM 826 CA ASP A 49 10.613 -1.548 3.761 1.00 0.00 C -ATOM 827 C ASP A 49 9.137 -1.474 3.458 1.00 0.00 C -ATOM 828 O ASP A 49 8.701 -0.759 2.562 1.00 0.00 O -ATOM 829 CB ASP A 49 11.393 -1.167 2.504 1.00 0.00 C -ATOM 830 CG ASP A 49 11.909 0.253 2.537 1.00 0.00 C -ATOM 831 OD1 ASP A 49 11.134 1.200 2.462 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.154 0.430 2.660 1.00 0.00 O -ATOM 833 H ASP A 49 10.814 -3.626 3.454 1.00 0.00 H -ATOM 834 HA ASP A 49 10.867 -0.863 4.557 1.00 0.00 H -ATOM 835 HB2 ASP A 49 12.231 -1.838 2.390 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.743 -1.273 1.648 1.00 0.00 H -ATOM 837 N CYS A 50 8.361 -2.223 4.196 1.00 0.00 N -ATOM 838 CA CYS A 50 6.942 -2.238 3.968 1.00 0.00 C -ATOM 839 C CYS A 50 6.257 -1.353 4.987 1.00 0.00 C -ATOM 840 O CYS A 50 6.636 -1.345 6.170 1.00 0.00 O -ATOM 841 CB CYS A 50 6.425 -3.663 4.062 1.00 0.00 C -ATOM 842 SG CYS A 50 7.326 -4.827 3.009 1.00 0.00 S -ATOM 843 H CYS A 50 8.746 -2.752 4.923 1.00 0.00 H -ATOM 844 HA CYS A 50 6.752 -1.858 2.975 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.509 -4.003 5.083 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.386 -3.684 3.764 1.00 0.00 H -ATOM 847 HG CYS A 50 7.451 -4.256 1.819 1.00 0.00 H -ATOM 848 N TYR A 51 5.254 -0.647 4.539 1.00 0.00 N -ATOM 849 CA TYR A 51 4.514 0.295 5.342 1.00 0.00 C -ATOM 850 C TYR A 51 3.049 0.044 5.119 1.00 0.00 C -ATOM 851 O TYR A 51 2.663 -0.514 4.078 1.00 0.00 O -ATOM 852 CB TYR A 51 4.803 1.745 4.903 1.00 0.00 C -ATOM 853 CG TYR A 51 6.250 2.182 4.926 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.144 1.752 3.959 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.714 3.038 5.900 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.456 2.158 3.972 1.00 0.00 C -ATOM 857 CE2 TYR A 51 8.029 3.454 5.910 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.891 3.007 4.944 1.00 0.00 C -ATOM 859 OH TYR A 51 10.198 3.419 4.948 1.00 0.00 O -ATOM 860 H TYR A 51 4.965 -0.756 3.605 1.00 0.00 H -ATOM 861 HA TYR A 51 4.771 0.177 6.383 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.442 1.886 3.894 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.250 2.402 5.559 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.798 1.078 3.189 1.00 0.00 H -ATOM 865 HD2 TYR A 51 6.034 3.384 6.662 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.137 1.807 3.211 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.376 4.125 6.683 1.00 0.00 H -ATOM 868 HH TYR A 51 10.394 3.557 4.010 1.00 0.00 H -ATOM 869 N LYS A 52 2.242 0.441 6.054 1.00 0.00 N -ATOM 870 CA LYS A 52 0.819 0.308 5.914 1.00 0.00 C -ATOM 871 C LYS A 52 0.117 1.624 6.206 1.00 0.00 C -ATOM 872 O LYS A 52 0.528 2.386 7.078 1.00 0.00 O -ATOM 873 CB LYS A 52 0.270 -0.797 6.827 1.00 0.00 C -ATOM 874 CG LYS A 52 0.553 -0.585 8.302 1.00 0.00 C -ATOM 875 CD LYS A 52 -0.108 -1.644 9.150 1.00 0.00 C -ATOM 876 CE LYS A 52 0.258 -1.471 10.605 1.00 0.00 C -ATOM 877 NZ LYS A 52 -0.384 -2.484 11.457 1.00 0.00 N -ATOM 878 H LYS A 52 2.607 0.836 6.877 1.00 0.00 H -ATOM 879 HA LYS A 52 0.616 0.037 4.889 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.801 -0.858 6.695 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.714 -1.736 6.529 1.00 0.00 H -ATOM 882 HG2 LYS A 52 1.620 -0.623 8.463 1.00 0.00 H -ATOM 883 HG3 LYS A 52 0.179 0.386 8.593 1.00 0.00 H -ATOM 884 HD2 LYS A 52 -1.179 -1.550 9.047 1.00 0.00 H -ATOM 885 HD3 LYS A 52 0.206 -2.623 8.819 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.330 -1.563 10.703 1.00 0.00 H -ATOM 887 HE3 LYS A 52 -0.050 -0.485 10.919 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 -0.076 -2.378 12.445 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 -0.140 -3.449 11.149 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 -1.419 -2.401 11.441 1.00 0.00 H -ATOM 891 N ILE A 53 -0.912 1.890 5.460 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.753 3.033 5.674 1.00 0.00 C -ATOM 893 C ILE A 53 -3.073 2.520 6.207 1.00 0.00 C -ATOM 894 O ILE A 53 -3.517 1.436 5.822 1.00 0.00 O -ATOM 895 CB ILE A 53 -1.982 3.865 4.360 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.660 4.468 3.868 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -3.029 4.972 4.562 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.795 5.314 2.614 1.00 0.00 C -ATOM 899 H ILE A 53 -1.119 1.271 4.723 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.290 3.657 6.425 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.358 3.191 3.605 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.251 5.097 4.645 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.035 3.668 3.660 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -3.168 5.506 3.635 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -2.686 5.657 5.323 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -3.966 4.532 4.873 1.00 0.00 H -ATOM 907 HD11 ILE A 53 0.165 5.732 2.350 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -1.498 6.115 2.796 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -1.158 4.699 1.804 1.00 0.00 H -ATOM 910 N LYS A 54 -3.668 3.266 7.089 1.00 0.00 N -ATOM 911 CA LYS A 54 -4.907 2.897 7.699 1.00 0.00 C -ATOM 912 C LYS A 54 -5.929 3.960 7.381 1.00 0.00 C -ATOM 913 O LYS A 54 -5.671 5.160 7.568 1.00 0.00 O -ATOM 914 CB LYS A 54 -4.784 2.648 9.242 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.294 3.832 10.094 1.00 0.00 C -ATOM 916 CD LYS A 54 -2.803 4.111 9.921 1.00 0.00 C -ATOM 917 CE LYS A 54 -2.405 5.440 10.534 1.00 0.00 C -ATOM 918 NZ LYS A 54 -2.463 5.440 12.009 1.00 0.00 N -ATOM 919 H LYS A 54 -3.296 4.146 7.292 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.209 1.985 7.215 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.754 2.360 9.619 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.105 1.821 9.390 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -4.846 4.716 9.811 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -4.489 3.601 11.131 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -2.261 3.332 10.433 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -2.519 4.101 8.882 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -1.409 5.684 10.196 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -3.110 6.155 10.137 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -2.164 6.365 12.383 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -1.811 4.718 12.377 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -3.416 5.227 12.368 1.00 0.00 H -ATOM 932 N LEU A 55 -7.039 3.558 6.844 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.058 4.486 6.466 1.00 0.00 C -ATOM 934 C LEU A 55 -9.109 4.509 7.559 1.00 0.00 C -ATOM 935 O LEU A 55 -10.066 3.690 7.555 1.00 0.00 O -ATOM 936 CB LEU A 55 -8.676 4.081 5.107 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.359 5.181 4.250 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -9.915 4.574 2.990 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -10.463 5.905 4.988 1.00 0.00 C -ATOM 940 H LEU A 55 -7.198 2.597 6.695 1.00 0.00 H -ATOM 941 HA LEU A 55 -7.612 5.466 6.378 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -7.891 3.643 4.509 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.408 3.311 5.304 1.00 0.00 H -ATOM 944 HG LEU A 55 -8.606 5.899 3.956 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -10.355 5.343 2.371 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -10.668 3.846 3.254 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -9.115 4.087 2.456 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -10.900 6.655 4.346 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -10.060 6.370 5.877 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -11.217 5.184 5.269 1.00 0.00 H -ATOM 951 N ARG A 56 -8.918 5.396 8.516 1.00 0.00 N -ATOM 952 CA ARG A 56 -9.849 5.529 9.594 1.00 0.00 C -ATOM 953 C ARG A 56 -11.087 6.254 9.116 1.00 0.00 C -ATOM 954 O ARG A 56 -11.119 7.488 9.042 1.00 0.00 O -ATOM 955 CB ARG A 56 -9.237 6.193 10.830 1.00 0.00 C -ATOM 956 CG ARG A 56 -10.228 6.355 11.976 1.00 0.00 C -ATOM 957 CD ARG A 56 -9.571 6.913 13.211 1.00 0.00 C -ATOM 958 NE ARG A 56 -10.553 7.216 14.263 1.00 0.00 N -ATOM 959 CZ ARG A 56 -10.251 7.419 15.554 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -9.052 7.085 16.019 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -11.175 7.893 16.393 1.00 0.00 N -ATOM 962 H ARG A 56 -8.129 5.977 8.482 1.00 0.00 H -ATOM 963 HA ARG A 56 -10.134 4.520 9.842 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -8.407 5.592 11.175 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -8.873 7.172 10.554 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -11.014 7.027 11.666 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -10.655 5.389 12.206 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -8.868 6.184 13.584 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -9.046 7.817 12.948 1.00 0.00 H -ATOM 970 HE ARG A 56 -11.474 7.329 13.931 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -8.351 6.677 15.427 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -8.793 7.217 16.978 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -12.111 8.114 16.103 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -10.985 8.071 17.361 1.00 0.00 H -ATOM 975 N SER A 57 -12.059 5.458 8.745 1.00 0.00 N -ATOM 976 CA SER A 57 -13.329 5.872 8.197 1.00 0.00 C -ATOM 977 C SER A 57 -14.047 4.618 7.722 1.00 0.00 C -ATOM 978 O SER A 57 -15.254 4.464 7.902 1.00 0.00 O -ATOM 979 CB SER A 57 -13.134 6.858 7.013 1.00 0.00 C -ATOM 980 OG SER A 57 -14.352 7.212 6.389 1.00 0.00 O -ATOM 981 H SER A 57 -11.910 4.495 8.871 1.00 0.00 H -ATOM 982 HA SER A 57 -13.904 6.342 8.982 1.00 0.00 H -ATOM 983 HB2 SER A 57 -12.670 7.762 7.379 1.00 0.00 H -ATOM 984 HB3 SER A 57 -12.483 6.404 6.282 1.00 0.00 H -ATOM 985 HG SER A 57 -14.851 7.782 6.988 1.00 0.00 H -ATOM 986 N SER A 58 -13.299 3.712 7.134 1.00 0.00 N -ATOM 987 CA SER A 58 -13.875 2.494 6.633 1.00 0.00 C -ATOM 988 C SER A 58 -13.186 1.236 7.190 1.00 0.00 C -ATOM 989 O SER A 58 -13.735 0.135 7.114 1.00 0.00 O -ATOM 990 CB SER A 58 -13.886 2.540 5.113 1.00 0.00 C -ATOM 991 OG SER A 58 -12.648 3.044 4.626 1.00 0.00 O -ATOM 992 H SER A 58 -12.342 3.869 6.984 1.00 0.00 H -ATOM 993 HA SER A 58 -14.900 2.478 6.974 1.00 0.00 H -ATOM 994 HB2 SER A 58 -14.052 1.549 4.718 1.00 0.00 H -ATOM 995 HB3 SER A 58 -14.680 3.193 4.781 1.00 0.00 H -ATOM 996 HG SER A 58 -12.862 3.883 4.197 1.00 0.00 H -ATOM 997 N GLY A 59 -11.986 1.395 7.744 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.314 0.266 8.364 1.00 0.00 C -ATOM 999 C GLY A 59 -10.399 -0.470 7.420 1.00 0.00 C -ATOM 1000 O GLY A 59 -9.888 -1.555 7.740 1.00 0.00 O -ATOM 1001 H GLY A 59 -11.540 2.269 7.746 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -10.733 0.620 9.201 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -12.064 -0.421 8.730 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.179 0.097 6.276 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.324 -0.516 5.298 1.00 0.00 C -ATOM 1006 C TYR A 60 -7.873 -0.128 5.528 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.576 0.951 6.048 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.759 -0.154 3.877 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.046 -0.820 3.432 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.281 -0.380 3.881 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.017 -1.885 2.551 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.450 -0.983 3.466 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.178 -2.494 2.130 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.390 -2.041 2.590 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.544 -2.653 2.176 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.588 0.966 6.085 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.443 -1.584 5.430 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -9.905 0.915 3.816 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -8.977 -0.440 3.188 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.313 0.452 4.570 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.063 -2.239 2.192 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.402 -0.625 3.828 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.132 -3.324 1.440 1.00 0.00 H -ATOM 1024 HH TYR A 60 -15.206 -1.986 1.956 1.00 0.00 H -ATOM 1025 N ARG A 61 -6.994 -1.022 5.184 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.574 -0.823 5.279 1.00 0.00 C -ATOM 1027 C ARG A 61 -4.954 -1.085 3.924 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.496 -1.855 3.121 1.00 0.00 O -ATOM 1029 CB ARG A 61 -4.903 -1.741 6.327 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.021 -1.326 7.806 1.00 0.00 C -ATOM 1031 CD ARG A 61 -6.433 -1.409 8.372 1.00 0.00 C -ATOM 1032 NE ARG A 61 -6.435 -1.150 9.824 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -7.462 -1.364 10.659 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -8.669 -1.673 10.190 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -7.283 -1.222 11.964 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.298 -1.872 4.794 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.402 0.209 5.546 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.338 -2.724 6.233 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -3.855 -1.815 6.078 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.391 -1.978 8.392 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -4.661 -0.312 7.902 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -7.056 -0.676 7.880 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -6.829 -2.397 8.194 1.00 0.00 H -ATOM 1044 HE ARG A 61 -5.576 -0.831 10.183 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -8.871 -1.748 9.206 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -9.454 -1.847 10.790 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -6.397 -0.956 12.352 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -8.019 -1.367 12.630 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.861 -0.447 3.664 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.152 -0.611 2.424 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.676 -0.810 2.752 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.092 0.003 3.462 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.416 0.637 1.530 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.865 0.643 0.086 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.558 1.720 -0.728 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.380 0.921 0.070 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.501 0.168 4.342 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.530 -1.496 1.934 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.485 0.774 1.469 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.006 1.490 2.049 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.047 -0.317 -0.371 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.407 2.679 -0.256 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -4.613 1.504 -0.797 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.130 1.741 -1.720 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.203 1.879 0.537 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -1.034 0.947 -0.953 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -0.859 0.149 0.617 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.093 -1.890 2.263 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.294 -2.222 2.552 1.00 0.00 C -ATOM 1070 C VAL A 63 1.129 -2.118 1.282 1.00 0.00 C -ATOM 1071 O VAL A 63 0.806 -2.726 0.247 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.433 -3.655 3.151 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.887 -3.970 3.500 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.449 -3.815 4.380 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.588 -2.486 1.655 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.663 -1.506 3.270 1.00 0.00 H -ATOM 1077 HB VAL A 63 0.110 -4.363 2.403 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 1.956 -4.968 3.906 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.244 -3.264 4.235 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 2.499 -3.899 2.612 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -1.482 -3.658 4.105 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -0.160 -3.092 5.127 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -0.330 -4.810 4.783 1.00 0.00 H -ATOM 1084 N TYR A 64 2.188 -1.369 1.360 1.00 0.00 N -ATOM 1085 CA TYR A 64 3.060 -1.139 0.238 1.00 0.00 C -ATOM 1086 C TYR A 64 4.494 -1.170 0.688 1.00 0.00 C -ATOM 1087 O TYR A 64 4.762 -1.053 1.874 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.752 0.214 -0.449 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.882 1.463 0.421 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.117 1.906 0.900 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.773 2.212 0.727 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.221 3.047 1.656 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.870 3.352 1.481 1.00 0.00 C -ATOM 1094 CZ TYR A 64 3.097 3.764 1.944 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.193 4.898 2.700 1.00 0.00 O -ATOM 1096 H TYR A 64 2.423 -0.962 2.227 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.901 -1.932 -0.476 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.410 0.345 -1.295 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.736 0.179 -0.812 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 5.001 1.331 0.671 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.810 1.888 0.363 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.185 3.372 2.017 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.976 3.917 1.697 1.00 0.00 H -ATOM 1104 HH TYR A 64 2.493 4.891 3.357 1.00 0.00 H -ATOM 1105 N GLN A 65 5.398 -1.383 -0.214 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.776 -1.229 0.125 1.00 0.00 C -ATOM 1107 C GLN A 65 7.333 -0.068 -0.656 1.00 0.00 C -ATOM 1108 O GLN A 65 6.962 0.153 -1.823 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.636 -2.482 -0.100 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.912 -2.835 -1.548 1.00 0.00 C -ATOM 1111 CD GLN A 65 9.070 -3.794 -1.671 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 8.905 -5.001 -1.674 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 10.262 -3.265 -1.726 1.00 0.00 N -ATOM 1114 H GLN A 65 5.132 -1.608 -1.135 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.807 -0.952 1.168 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.586 -2.342 0.392 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 7.132 -3.317 0.362 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 7.031 -3.292 -1.976 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 8.150 -1.933 -2.093 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 10.342 -2.289 -1.680 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 11.040 -3.855 -1.834 1.00 0.00 H -ATOM 1122 N VAL A 66 8.164 0.686 -0.032 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.797 1.788 -0.678 1.00 0.00 C -ATOM 1124 C VAL A 66 10.091 1.301 -1.263 1.00 0.00 C -ATOM 1125 O VAL A 66 10.957 0.837 -0.549 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.071 2.949 0.314 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.862 4.069 -0.345 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.770 3.491 0.863 1.00 0.00 C -ATOM 1129 H VAL A 66 8.405 0.490 0.904 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.153 2.141 -1.470 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.650 2.563 1.139 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 10.026 4.857 0.375 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 9.314 4.453 -1.193 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 10.814 3.676 -0.671 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.987 4.275 1.574 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.232 2.696 1.358 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 7.170 3.888 0.058 1.00 0.00 H -ATOM 1138 N ILE A 67 10.199 1.301 -2.551 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.436 0.946 -3.147 1.00 0.00 C -ATOM 1140 C ILE A 67 12.122 2.232 -3.521 1.00 0.00 C -ATOM 1141 O ILE A 67 11.859 2.798 -4.591 1.00 0.00 O -ATOM 1142 CB ILE A 67 11.274 0.070 -4.410 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 10.284 -1.073 -4.150 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.639 -0.502 -4.779 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.993 -1.940 -5.362 1.00 0.00 C -ATOM 1146 H ILE A 67 9.447 1.572 -3.126 1.00 0.00 H -ATOM 1147 HA ILE A 67 12.029 0.424 -2.411 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.918 0.684 -5.223 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.685 -1.717 -3.382 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.350 -0.655 -3.806 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 13.323 0.305 -4.997 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 12.544 -1.143 -5.643 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 13.019 -1.075 -3.947 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 10.912 -2.392 -5.709 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.571 -1.332 -6.148 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 9.292 -2.714 -5.089 1.00 0.00 H -ATOM 1157 N ASP A 68 12.983 2.707 -2.657 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.649 3.984 -2.884 1.00 0.00 C -ATOM 1159 C ASP A 68 14.619 3.880 -4.042 1.00 0.00 C -ATOM 1160 O ASP A 68 14.756 4.807 -4.830 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.341 4.487 -1.615 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.005 5.835 -1.807 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 14.340 6.880 -1.626 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 16.211 5.872 -2.143 1.00 0.00 O -ATOM 1165 H ASP A 68 13.166 2.206 -1.832 1.00 0.00 H -ATOM 1166 HA ASP A 68 12.883 4.686 -3.172 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 13.609 4.579 -0.825 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.093 3.772 -1.316 1.00 0.00 H -ATOM 1169 N GLU A 69 15.213 2.700 -4.184 1.00 0.00 N -ATOM 1170 CA GLU A 69 16.170 2.397 -5.265 1.00 0.00 C -ATOM 1171 C GLU A 69 15.526 2.600 -6.641 1.00 0.00 C -ATOM 1172 O GLU A 69 16.187 2.981 -7.603 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.600 0.944 -5.175 1.00 0.00 C -ATOM 1174 CG GLU A 69 17.066 0.505 -3.810 1.00 0.00 C -ATOM 1175 CD GLU A 69 17.409 -0.952 -3.789 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 16.557 -1.776 -4.184 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 18.540 -1.308 -3.422 1.00 0.00 O -ATOM 1178 H GLU A 69 15.028 2.016 -3.508 1.00 0.00 H -ATOM 1179 HA GLU A 69 17.039 3.028 -5.162 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.766 0.321 -5.459 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 17.404 0.779 -5.877 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 17.936 1.077 -3.527 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 16.270 0.681 -3.103 1.00 0.00 H -ATOM 1184 N LYS A 70 14.242 2.318 -6.731 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.521 2.425 -7.995 1.00 0.00 C -ATOM 1186 C LYS A 70 12.656 3.684 -8.004 1.00 0.00 C -ATOM 1187 O LYS A 70 12.063 4.029 -9.021 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.640 1.186 -8.210 1.00 0.00 C -ATOM 1189 CG LYS A 70 13.381 -0.147 -8.242 1.00 0.00 C -ATOM 1190 CD LYS A 70 12.402 -1.314 -8.385 1.00 0.00 C -ATOM 1191 CE LYS A 70 13.099 -2.659 -8.219 1.00 0.00 C -ATOM 1192 NZ LYS A 70 12.165 -3.810 -8.344 1.00 0.00 N -ATOM 1193 H LYS A 70 13.761 2.046 -5.922 1.00 0.00 H -ATOM 1194 HA LYS A 70 14.246 2.485 -8.793 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 11.953 1.132 -7.379 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 12.084 1.299 -9.130 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 14.062 -0.151 -9.079 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 13.937 -0.262 -7.324 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 11.629 -1.223 -7.636 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 11.950 -1.269 -9.366 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 13.876 -2.754 -8.963 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 13.542 -2.681 -7.234 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 12.672 -4.704 -8.184 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 11.761 -3.838 -9.302 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 11.359 -3.764 -7.688 1.00 0.00 H -ATOM 1206 N VAL A 71 12.604 4.358 -6.844 1.00 0.00 N -ATOM 1207 CA VAL A 71 11.816 5.585 -6.627 1.00 0.00 C -ATOM 1208 C VAL A 71 10.299 5.273 -6.806 1.00 0.00 C -ATOM 1209 O VAL A 71 9.495 6.119 -7.172 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.303 6.762 -7.571 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 11.654 8.102 -7.214 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 13.819 6.904 -7.511 1.00 0.00 C -ATOM 1213 H VAL A 71 13.131 4.025 -6.089 1.00 0.00 H -ATOM 1214 HA VAL A 71 11.967 5.867 -5.593 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.028 6.512 -8.586 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 11.902 8.362 -6.195 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 10.583 8.019 -7.313 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 12.019 8.869 -7.881 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.118 7.128 -6.498 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.137 7.704 -8.163 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.277 5.977 -7.822 1.00 0.00 H -ATOM 1222 N VAL A 72 9.907 4.067 -6.457 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.528 3.669 -6.620 1.00 0.00 C -ATOM 1224 C VAL A 72 7.990 3.020 -5.347 1.00 0.00 C -ATOM 1225 O VAL A 72 8.691 2.276 -4.652 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.318 2.724 -7.866 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 9.071 1.419 -7.720 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 6.838 2.456 -8.141 1.00 0.00 C -ATOM 1229 H VAL A 72 10.545 3.445 -6.045 1.00 0.00 H -ATOM 1230 HA VAL A 72 7.966 4.577 -6.787 1.00 0.00 H -ATOM 1231 HB VAL A 72 8.733 3.232 -8.725 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 10.122 1.639 -7.630 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 8.898 0.803 -8.591 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 8.732 0.904 -6.834 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.740 1.810 -9.001 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.328 3.388 -8.331 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.398 1.977 -7.279 1.00 0.00 H -ATOM 1238 N VAL A 73 6.788 3.364 -5.030 1.00 0.00 N -ATOM 1239 CA VAL A 73 6.054 2.798 -3.955 1.00 0.00 C -ATOM 1240 C VAL A 73 5.180 1.709 -4.553 1.00 0.00 C -ATOM 1241 O VAL A 73 4.298 1.982 -5.387 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.182 3.882 -3.267 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.300 3.281 -2.204 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 6.062 4.958 -2.656 1.00 0.00 C -ATOM 1245 H VAL A 73 6.330 4.044 -5.572 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.744 2.371 -3.243 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.562 4.346 -4.019 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 3.707 4.058 -1.745 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 4.914 2.806 -1.454 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.646 2.547 -2.654 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 5.446 5.706 -2.178 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 6.651 5.419 -3.436 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 6.721 4.512 -1.928 1.00 0.00 H -ATOM 1254 N PHE A 74 5.442 0.501 -4.169 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.774 -0.633 -4.735 1.00 0.00 C -ATOM 1256 C PHE A 74 3.769 -1.188 -3.747 1.00 0.00 C -ATOM 1257 O PHE A 74 4.151 -1.708 -2.690 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.814 -1.696 -5.118 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.252 -2.912 -5.797 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.900 -2.868 -7.134 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 5.079 -4.098 -5.100 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.389 -3.979 -7.764 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.567 -5.214 -5.725 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.221 -5.154 -7.060 1.00 0.00 C -ATOM 1265 H PHE A 74 6.098 0.359 -3.451 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.260 -0.314 -5.630 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.537 -1.253 -5.789 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.323 -2.018 -4.222 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 5.031 -1.948 -7.686 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.348 -4.143 -4.055 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.120 -3.930 -8.809 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.437 -6.133 -5.173 1.00 0.00 H -ATOM 1273 HZ PHE A 74 3.818 -6.026 -7.554 1.00 0.00 H -ATOM 1274 N VAL A 75 2.502 -1.050 -4.071 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.433 -1.558 -3.240 1.00 0.00 C -ATOM 1276 C VAL A 75 1.360 -3.056 -3.404 1.00 0.00 C -ATOM 1277 O VAL A 75 1.186 -3.561 -4.517 1.00 0.00 O -ATOM 1278 CB VAL A 75 0.066 -0.912 -3.580 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.040 -1.449 -2.669 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.155 0.605 -3.481 1.00 0.00 C -ATOM 1281 H VAL A 75 2.280 -0.604 -4.920 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.686 -1.342 -2.213 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.187 -1.171 -4.597 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -1.124 -2.518 -2.799 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -1.981 -0.983 -2.921 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -0.797 -1.234 -1.640 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.457 0.890 -2.485 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 -0.811 1.038 -3.698 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.880 0.969 -4.195 1.00 0.00 H -ATOM 1290 N ILE A 76 1.500 -3.747 -2.308 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.579 -5.181 -2.314 1.00 0.00 C -ATOM 1292 C ILE A 76 0.200 -5.788 -2.058 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.189 -6.767 -2.691 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.564 -5.670 -1.222 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.903 -4.926 -1.334 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.795 -7.162 -1.369 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.878 -5.246 -0.221 1.00 0.00 C -ATOM 1298 H ILE A 76 1.531 -3.275 -1.447 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.946 -5.504 -3.277 1.00 0.00 H -ATOM 1300 HB ILE A 76 2.133 -5.477 -0.250 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.374 -5.191 -2.268 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.717 -3.863 -1.320 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 1.849 -7.677 -1.284 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 3.467 -7.503 -0.595 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 3.228 -7.365 -2.338 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 5.801 -4.712 -0.389 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 5.071 -6.308 -0.204 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 4.456 -4.945 0.726 1.00 0.00 H -ATOM 1309 N SER A 77 -0.538 -5.196 -1.140 1.00 0.00 N -ATOM 1310 CA SER A 77 -1.841 -5.697 -0.791 1.00 0.00 C -ATOM 1311 C SER A 77 -2.674 -4.557 -0.209 1.00 0.00 C -ATOM 1312 O SER A 77 -2.122 -3.596 0.344 1.00 0.00 O -ATOM 1313 CB SER A 77 -1.705 -6.862 0.214 1.00 0.00 C -ATOM 1314 OG SER A 77 -2.953 -7.492 0.462 1.00 0.00 O -ATOM 1315 H SER A 77 -0.226 -4.386 -0.679 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.315 -6.057 -1.691 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.021 -7.596 -0.183 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -1.313 -6.483 1.147 1.00 0.00 H -ATOM 1319 HG SER A 77 -2.889 -8.422 0.227 1.00 0.00 H -ATOM 1320 N VAL A 78 -3.971 -4.643 -0.361 1.00 0.00 N -ATOM 1321 CA VAL A 78 -4.880 -3.637 0.120 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.205 -4.318 0.485 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.564 -5.336 -0.120 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.090 -2.512 -0.958 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.686 -3.053 -2.247 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -5.929 -1.372 -0.420 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.368 -5.435 -0.782 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.453 -3.202 1.012 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.113 -2.122 -1.204 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -5.025 -3.797 -2.666 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.813 -2.247 -2.955 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -6.646 -3.502 -2.040 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.438 -0.943 0.441 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -6.904 -1.743 -0.139 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.034 -0.618 -1.187 1.00 0.00 H -ATOM 1336 N GLY A 79 -6.884 -3.812 1.487 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.159 -4.369 1.867 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.397 -4.227 3.342 1.00 0.00 C -ATOM 1339 O GLY A 79 -7.892 -3.302 3.960 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.510 -3.062 2.006 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -8.943 -3.859 1.328 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.179 -5.415 1.610 1.00 0.00 H -ATOM 1343 N LYS A 80 -9.150 -5.118 3.911 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.395 -5.077 5.332 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.324 -5.886 6.012 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.962 -6.964 5.537 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.773 -5.621 5.677 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.907 -4.913 4.968 1.00 0.00 C -ATOM 1349 CD LYS A 80 -13.241 -5.432 5.441 1.00 0.00 C -ATOM 1350 CE LYS A 80 -14.382 -4.842 4.636 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -15.693 -5.349 5.073 1.00 0.00 N -ATOM 1352 H LYS A 80 -9.525 -5.850 3.377 1.00 0.00 H -ATOM 1353 HA LYS A 80 -9.316 -4.050 5.654 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.809 -6.667 5.409 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.928 -5.528 6.742 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.846 -3.855 5.170 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.818 -5.082 3.905 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -13.256 -6.509 5.364 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.344 -5.128 6.473 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -14.365 -3.767 4.733 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -14.234 -5.100 3.598 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -16.447 -4.906 4.512 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -15.884 -5.140 6.072 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -15.761 -6.377 4.926 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.811 -5.385 7.098 1.00 0.00 N -ATOM 1366 CA ALA A 81 -6.719 -6.035 7.752 1.00 0.00 C -ATOM 1367 C ALA A 81 -6.956 -6.191 9.227 1.00 0.00 C -ATOM 1368 O ALA A 81 -6.879 -5.213 9.995 1.00 0.00 O -ATOM 1369 CB ALA A 81 -5.433 -5.271 7.512 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.184 -4.567 7.488 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.599 -7.013 7.311 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -4.605 -5.812 7.947 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -5.502 -4.297 7.973 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -5.270 -5.159 6.451 1.00 0.00 H -ATOM 1375 N GLU A 82 -7.277 -7.390 9.632 1.00 0.00 N -ATOM 1376 CA GLU A 82 -7.371 -7.679 11.036 1.00 0.00 C -ATOM 1377 C GLU A 82 -5.961 -7.905 11.548 1.00 0.00 C -ATOM 1378 O GLU A 82 -5.594 -7.415 12.612 1.00 0.00 O -ATOM 1379 CB GLU A 82 -8.275 -8.883 11.302 1.00 0.00 C -ATOM 1380 CG GLU A 82 -9.692 -8.718 10.753 1.00 0.00 C -ATOM 1381 CD GLU A 82 -10.421 -7.537 11.350 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -10.288 -6.414 10.831 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -11.137 -7.713 12.358 1.00 0.00 O -ATOM 1384 H GLU A 82 -7.481 -8.091 8.976 1.00 0.00 H -ATOM 1385 HA GLU A 82 -7.768 -6.802 11.525 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -7.833 -9.762 10.857 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -8.344 -9.034 12.369 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -9.633 -8.575 9.685 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -10.253 -9.617 10.963 1.00 0.00 H -ATOM 1390 N ALA A 83 -5.163 -8.606 10.732 1.00 0.00 N -ATOM 1391 CA ALA A 83 -3.745 -8.844 10.973 1.00 0.00 C -ATOM 1392 C ALA A 83 -3.125 -9.642 9.823 1.00 0.00 C -ATOM 1393 O ALA A 83 -2.515 -9.081 8.917 1.00 0.00 O -ATOM 1394 CB ALA A 83 -3.490 -9.569 12.301 1.00 0.00 C -ATOM 1395 H ALA A 83 -5.563 -8.991 9.923 1.00 0.00 H -ATOM 1396 HA ALA A 83 -3.260 -7.879 11.009 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -3.934 -10.552 12.272 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -3.925 -9.002 13.111 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -2.425 -9.659 12.457 1.00 0.00 H -ATOM 1400 N SER A 84 -3.396 -10.929 9.819 1.00 0.00 N -ATOM 1401 CA SER A 84 -2.740 -11.886 8.950 1.00 0.00 C -ATOM 1402 C SER A 84 -3.036 -11.687 7.460 1.00 0.00 C -ATOM 1403 O SER A 84 -2.158 -11.902 6.651 1.00 0.00 O -ATOM 1404 CB SER A 84 -3.122 -13.315 9.380 1.00 0.00 C -ATOM 1405 OG SER A 84 -2.358 -14.312 8.699 1.00 0.00 O -ATOM 1406 H SER A 84 -4.086 -11.268 10.432 1.00 0.00 H -ATOM 1407 HA SER A 84 -1.676 -11.784 9.099 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -2.971 -13.425 10.442 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -4.167 -13.473 9.158 1.00 0.00 H -ATOM 1410 HG SER A 84 -1.803 -13.909 8.010 1.00 0.00 H -ATOM 1411 N GLU A 85 -4.219 -11.197 7.121 1.00 0.00 N -ATOM 1412 CA GLU A 85 -4.686 -11.171 5.717 1.00 0.00 C -ATOM 1413 C GLU A 85 -3.724 -10.408 4.802 1.00 0.00 C -ATOM 1414 O GLU A 85 -3.240 -10.947 3.804 1.00 0.00 O -ATOM 1415 CB GLU A 85 -6.071 -10.516 5.644 1.00 0.00 C -ATOM 1416 CG GLU A 85 -6.727 -10.576 4.273 1.00 0.00 C -ATOM 1417 CD GLU A 85 -7.136 -11.976 3.898 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -6.287 -12.779 3.448 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -8.319 -12.319 4.078 1.00 0.00 O -ATOM 1420 H GLU A 85 -4.805 -10.849 7.825 1.00 0.00 H -ATOM 1421 HA GLU A 85 -4.772 -12.191 5.370 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -6.722 -11.019 6.343 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -5.982 -9.478 5.934 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -7.606 -9.949 4.278 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -6.026 -10.210 3.537 1.00 0.00 H -ATOM 1426 N VAL A 86 -3.384 -9.205 5.184 1.00 0.00 N -ATOM 1427 CA VAL A 86 -2.526 -8.392 4.351 1.00 0.00 C -ATOM 1428 C VAL A 86 -1.066 -8.785 4.488 1.00 0.00 C -ATOM 1429 O VAL A 86 -0.313 -8.706 3.530 1.00 0.00 O -ATOM 1430 CB VAL A 86 -2.708 -6.869 4.595 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -4.110 -6.427 4.192 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -2.431 -6.505 6.050 1.00 0.00 C -ATOM 1433 H VAL A 86 -3.723 -8.864 6.035 1.00 0.00 H -ATOM 1434 HA VAL A 86 -2.813 -8.604 3.330 1.00 0.00 H -ATOM 1435 HB VAL A 86 -2.000 -6.346 3.968 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -4.214 -5.366 4.365 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -4.839 -6.964 4.780 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -4.270 -6.638 3.144 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -3.118 -7.042 6.688 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -2.567 -5.443 6.191 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -1.417 -6.777 6.304 1.00 0.00 H -ATOM 1442 N TYR A 87 -0.681 -9.261 5.662 1.00 0.00 N -ATOM 1443 CA TYR A 87 0.714 -9.606 5.907 1.00 0.00 C -ATOM 1444 C TYR A 87 1.089 -10.899 5.207 1.00 0.00 C -ATOM 1445 O TYR A 87 2.132 -10.974 4.549 1.00 0.00 O -ATOM 1446 CB TYR A 87 1.035 -9.714 7.402 1.00 0.00 C -ATOM 1447 CG TYR A 87 0.807 -8.453 8.226 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 0.924 -7.185 7.670 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 0.499 -8.542 9.578 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 0.736 -6.051 8.436 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 0.307 -7.410 10.347 1.00 0.00 C -ATOM 1452 CZ TYR A 87 0.427 -6.169 9.770 1.00 0.00 C -ATOM 1453 OH TYR A 87 0.248 -5.031 10.541 1.00 0.00 O -ATOM 1454 H TYR A 87 -1.351 -9.389 6.365 1.00 0.00 H -ATOM 1455 HA TYR A 87 1.318 -8.818 5.479 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 0.434 -10.503 7.820 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 2.071 -9.995 7.501 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 1.162 -7.087 6.621 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 0.407 -9.519 10.029 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 0.831 -5.075 7.982 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 0.063 -7.503 11.395 1.00 0.00 H -ATOM 1462 HH TYR A 87 0.738 -5.187 11.359 1.00 0.00 H -ATOM 1463 N SER A 88 0.226 -11.900 5.323 1.00 0.00 N -ATOM 1464 CA SER A 88 0.458 -13.188 4.716 1.00 0.00 C -ATOM 1465 C SER A 88 0.468 -13.067 3.202 1.00 0.00 C -ATOM 1466 O SER A 88 1.309 -13.667 2.538 1.00 0.00 O -ATOM 1467 CB SER A 88 -0.591 -14.191 5.186 1.00 0.00 C -ATOM 1468 OG SER A 88 -0.594 -14.267 6.609 1.00 0.00 O -ATOM 1469 H SER A 88 -0.608 -11.782 5.832 1.00 0.00 H -ATOM 1470 HA SER A 88 1.431 -13.527 5.039 1.00 0.00 H -ATOM 1471 HB2 SER A 88 -1.568 -13.877 4.848 1.00 0.00 H -ATOM 1472 HB3 SER A 88 -0.361 -15.167 4.786 1.00 0.00 H -ATOM 1473 HG SER A 88 0.228 -13.850 6.895 1.00 0.00 H -ATOM 1474 N GLU A 89 -0.433 -12.255 2.662 1.00 0.00 N -ATOM 1475 CA GLU A 89 -0.455 -12.032 1.240 1.00 0.00 C -ATOM 1476 C GLU A 89 0.828 -11.322 0.822 1.00 0.00 C -ATOM 1477 O GLU A 89 1.501 -11.757 -0.096 1.00 0.00 O -ATOM 1478 CB GLU A 89 -1.677 -11.204 0.826 1.00 0.00 C -ATOM 1479 CG GLU A 89 -1.810 -11.024 -0.683 1.00 0.00 C -ATOM 1480 CD GLU A 89 -2.023 -12.338 -1.409 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -1.049 -13.077 -1.669 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -3.180 -12.670 -1.722 1.00 0.00 O -ATOM 1483 H GLU A 89 -1.100 -11.813 3.230 1.00 0.00 H -ATOM 1484 HA GLU A 89 -0.495 -12.996 0.754 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -2.569 -11.693 1.187 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 -1.601 -10.228 1.280 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -2.652 -10.380 -0.885 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -0.907 -10.563 -1.057 1.00 0.00 H -ATOM 1489 N ALA A 90 1.187 -10.267 1.562 1.00 0.00 N -ATOM 1490 CA ALA A 90 2.366 -9.455 1.266 1.00 0.00 C -ATOM 1491 C ALA A 90 3.636 -10.286 1.190 1.00 0.00 C -ATOM 1492 O ALA A 90 4.381 -10.197 0.211 1.00 0.00 O -ATOM 1493 CB ALA A 90 2.527 -8.330 2.276 1.00 0.00 C -ATOM 1494 H ALA A 90 0.632 -10.023 2.336 1.00 0.00 H -ATOM 1495 HA ALA A 90 2.199 -9.010 0.297 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 2.734 -8.750 3.250 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 1.615 -7.753 2.321 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 3.345 -7.692 1.978 1.00 0.00 H -ATOM 1499 N VAL A 91 3.864 -11.119 2.195 1.00 0.00 N -ATOM 1500 CA VAL A 91 5.054 -11.951 2.222 1.00 0.00 C -ATOM 1501 C VAL A 91 5.010 -13.012 1.099 1.00 0.00 C -ATOM 1502 O VAL A 91 6.044 -13.396 0.553 1.00 0.00 O -ATOM 1503 CB VAL A 91 5.305 -12.589 3.635 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 4.190 -13.528 4.056 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 6.654 -13.286 3.705 1.00 0.00 C -ATOM 1506 H VAL A 91 3.216 -11.165 2.933 1.00 0.00 H -ATOM 1507 HA VAL A 91 5.878 -11.290 1.988 1.00 0.00 H -ATOM 1508 HB VAL A 91 5.313 -11.777 4.348 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 3.255 -12.986 4.077 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 4.399 -13.922 5.039 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 4.117 -14.342 3.349 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 6.682 -14.083 2.978 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 6.802 -13.692 4.693 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 7.436 -12.574 3.487 1.00 0.00 H -ATOM 1515 N LYS A 92 3.810 -13.449 0.739 1.00 0.00 N -ATOM 1516 CA LYS A 92 3.620 -14.397 -0.358 1.00 0.00 C -ATOM 1517 C LYS A 92 3.717 -13.747 -1.750 1.00 0.00 C -ATOM 1518 O LYS A 92 3.740 -14.455 -2.754 1.00 0.00 O -ATOM 1519 CB LYS A 92 2.311 -15.206 -0.226 1.00 0.00 C -ATOM 1520 CG LYS A 92 2.409 -16.530 0.557 1.00 0.00 C -ATOM 1521 CD LYS A 92 2.909 -16.362 1.984 1.00 0.00 C -ATOM 1522 CE LYS A 92 2.886 -17.684 2.743 1.00 0.00 C -ATOM 1523 NZ LYS A 92 3.739 -18.718 2.112 1.00 0.00 N -ATOM 1524 H LYS A 92 3.015 -13.128 1.221 1.00 0.00 H -ATOM 1525 HA LYS A 92 4.445 -15.086 -0.282 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 1.573 -14.587 0.263 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 1.960 -15.433 -1.220 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 1.429 -16.980 0.594 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 3.078 -17.187 0.022 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 3.925 -15.994 1.953 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 2.279 -15.649 2.495 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 3.243 -17.513 3.748 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 1.870 -18.046 2.784 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 3.443 -18.905 1.132 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 3.655 -19.621 2.619 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 4.745 -18.449 2.103 1.00 0.00 H -ATOM 1537 N ARG A 93 3.725 -12.418 -1.821 1.00 0.00 N -ATOM 1538 CA ARG A 93 3.800 -11.727 -3.122 1.00 0.00 C -ATOM 1539 C ARG A 93 5.239 -11.521 -3.560 1.00 0.00 C -ATOM 1540 O ARG A 93 5.502 -11.205 -4.725 1.00 0.00 O -ATOM 1541 CB ARG A 93 3.113 -10.340 -3.098 1.00 0.00 C -ATOM 1542 CG ARG A 93 1.630 -10.323 -2.751 1.00 0.00 C -ATOM 1543 CD ARG A 93 0.822 -11.214 -3.660 1.00 0.00 C -ATOM 1544 NE ARG A 93 0.908 -10.826 -5.062 1.00 0.00 N -ATOM 1545 CZ ARG A 93 1.059 -11.665 -6.084 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 1.019 -12.985 -5.888 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 1.232 -11.176 -7.294 1.00 0.00 N -ATOM 1548 H ARG A 93 3.668 -11.891 -0.994 1.00 0.00 H -ATOM 1549 HA ARG A 93 3.304 -12.342 -3.856 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 3.622 -9.726 -2.370 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 3.239 -9.886 -4.070 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 1.504 -10.663 -1.734 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 1.265 -9.310 -2.836 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 1.209 -12.215 -3.560 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 -0.208 -11.182 -3.337 1.00 0.00 H -ATOM 1556 HE ARG A 93 0.862 -9.856 -5.255 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 0.874 -13.391 -4.981 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 1.127 -13.635 -6.646 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 1.252 -10.169 -7.405 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 1.353 -11.737 -8.117 1.00 0.00 H -ATOM 1561 N ILE A 94 6.166 -11.664 -2.635 1.00 0.00 N -ATOM 1562 CA ILE A 94 7.556 -11.376 -2.926 1.00 0.00 C -ATOM 1563 C ILE A 94 8.443 -12.546 -2.524 1.00 0.00 C -ATOM 1564 O ILE A 94 8.764 -12.718 -1.337 1.00 0.00 O -ATOM 1565 CB ILE A 94 8.035 -10.098 -2.183 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 7.085 -8.929 -2.471 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 9.463 -9.734 -2.616 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 7.355 -7.709 -1.638 1.00 0.00 C -ATOM 1569 H ILE A 94 5.918 -11.983 -1.743 1.00 0.00 H -ATOM 1570 HA ILE A 94 7.646 -11.206 -3.988 1.00 0.00 H -ATOM 1571 HB ILE A 94 8.038 -10.298 -1.121 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 7.182 -8.643 -3.509 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 6.069 -9.244 -2.286 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 9.477 -9.541 -3.678 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 10.130 -10.553 -2.391 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 9.785 -8.850 -2.084 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 7.248 -7.960 -0.594 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 6.656 -6.929 -1.900 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 8.363 -7.368 -1.824 1.00 0.00 H -ATOM 1580 N LEU A 95 8.804 -13.341 -3.493 1.00 0.00 N -ATOM 1581 CA LEU A 95 9.673 -14.472 -3.315 1.00 0.00 C -ATOM 1582 C LEU A 95 9.973 -15.035 -4.679 1.00 0.00 C -ATOM 1583 O LEU A 95 11.129 -14.938 -5.128 1.00 0.00 O -ATOM 1584 CB LEU A 95 9.050 -15.554 -2.426 1.00 0.00 C -ATOM 1585 CG LEU A 95 9.971 -16.723 -2.052 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 11.151 -16.239 -1.220 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 9.201 -17.796 -1.309 1.00 0.00 C -ATOM 1588 OXT LEU A 95 9.020 -15.509 -5.351 1.00 0.00 O -ATOM 1589 H LEU A 95 8.496 -13.170 -4.412 1.00 0.00 H -ATOM 1590 HA LEU A 95 10.591 -14.116 -2.872 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 8.698 -15.080 -1.521 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 8.196 -15.954 -2.952 1.00 0.00 H -ATOM 1593 HG LEU A 95 10.367 -17.155 -2.960 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 10.787 -15.750 -0.329 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 11.749 -15.547 -1.794 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 11.759 -17.086 -0.937 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 8.810 -17.385 -0.390 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 9.868 -18.616 -1.086 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 8.387 -18.150 -1.923 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MODEL 20 -ATOM 1 N MET A 1 10.970 15.873 -3.030 1.00 0.00 N -ATOM 2 CA MET A 1 10.995 14.737 -3.949 1.00 0.00 C -ATOM 3 C MET A 1 9.745 13.906 -3.722 1.00 0.00 C -ATOM 4 O MET A 1 9.167 13.941 -2.628 1.00 0.00 O -ATOM 5 CB MET A 1 12.263 13.902 -3.689 1.00 0.00 C -ATOM 6 CG MET A 1 12.493 12.740 -4.639 1.00 0.00 C -ATOM 7 SD MET A 1 14.013 11.850 -4.259 1.00 0.00 S -ATOM 8 CE MET A 1 13.996 10.589 -5.531 1.00 0.00 C -ATOM 9 H MET A 1 10.121 16.444 -3.199 1.00 0.00 H -ATOM 10 HA MET A 1 11.000 15.106 -4.964 1.00 0.00 H -ATOM 11 HB2 MET A 1 13.124 14.552 -3.756 1.00 0.00 H -ATOM 12 HB3 MET A 1 12.210 13.510 -2.684 1.00 0.00 H -ATOM 13 HG2 MET A 1 11.660 12.056 -4.570 1.00 0.00 H -ATOM 14 HG3 MET A 1 12.564 13.122 -5.647 1.00 0.00 H -ATOM 15 HE1 MET A 1 13.116 9.974 -5.415 1.00 0.00 H -ATOM 16 HE2 MET A 1 14.878 9.971 -5.449 1.00 0.00 H -ATOM 17 HE3 MET A 1 13.976 11.057 -6.503 1.00 0.00 H -ATOM 18 N ALA A 2 9.300 13.216 -4.740 1.00 0.00 N -ATOM 19 CA ALA A 2 8.156 12.356 -4.647 1.00 0.00 C -ATOM 20 C ALA A 2 8.512 10.989 -5.200 1.00 0.00 C -ATOM 21 O ALA A 2 9.537 10.829 -5.884 1.00 0.00 O -ATOM 22 CB ALA A 2 6.979 12.956 -5.409 1.00 0.00 C -ATOM 23 H ALA A 2 9.755 13.266 -5.611 1.00 0.00 H -ATOM 24 HA ALA A 2 7.885 12.261 -3.606 1.00 0.00 H -ATOM 25 HB1 ALA A 2 6.119 12.309 -5.314 1.00 0.00 H -ATOM 26 HB2 ALA A 2 7.239 13.055 -6.452 1.00 0.00 H -ATOM 27 HB3 ALA A 2 6.746 13.930 -5.005 1.00 0.00 H -ATOM 28 N TYR A 3 7.702 10.019 -4.898 1.00 0.00 N -ATOM 29 CA TYR A 3 7.898 8.668 -5.370 1.00 0.00 C -ATOM 30 C TYR A 3 6.745 8.290 -6.273 1.00 0.00 C -ATOM 31 O TYR A 3 5.720 8.969 -6.285 1.00 0.00 O -ATOM 32 CB TYR A 3 7.994 7.676 -4.191 1.00 0.00 C -ATOM 33 CG TYR A 3 9.242 7.804 -3.328 1.00 0.00 C -ATOM 34 CD1 TYR A 3 9.425 8.877 -2.464 1.00 0.00 C -ATOM 35 CD2 TYR A 3 10.235 6.836 -3.380 1.00 0.00 C -ATOM 36 CE1 TYR A 3 10.559 8.982 -1.682 1.00 0.00 C -ATOM 37 CE2 TYR A 3 11.371 6.933 -2.599 1.00 0.00 C -ATOM 38 CZ TYR A 3 11.527 8.007 -1.753 1.00 0.00 C -ATOM 39 OH TYR A 3 12.654 8.102 -0.972 1.00 0.00 O -ATOM 40 H TYR A 3 6.915 10.208 -4.345 1.00 0.00 H -ATOM 41 HA TYR A 3 8.817 8.638 -5.935 1.00 0.00 H -ATOM 42 HB2 TYR A 3 7.140 7.813 -3.545 1.00 0.00 H -ATOM 43 HB3 TYR A 3 7.964 6.673 -4.588 1.00 0.00 H -ATOM 44 HD1 TYR A 3 8.664 9.642 -2.411 1.00 0.00 H -ATOM 45 HD2 TYR A 3 10.113 5.993 -4.044 1.00 0.00 H -ATOM 46 HE1 TYR A 3 10.682 9.825 -1.017 1.00 0.00 H -ATOM 47 HE2 TYR A 3 12.132 6.168 -2.656 1.00 0.00 H -ATOM 48 HH TYR A 3 13.388 8.043 -1.597 1.00 0.00 H -ATOM 49 N PHE A 4 6.918 7.242 -7.036 1.00 0.00 N -ATOM 50 CA PHE A 4 5.864 6.746 -7.901 1.00 0.00 C -ATOM 51 C PHE A 4 4.994 5.778 -7.108 1.00 0.00 C -ATOM 52 O PHE A 4 5.408 5.314 -6.057 1.00 0.00 O -ATOM 53 CB PHE A 4 6.463 6.055 -9.135 1.00 0.00 C -ATOM 54 CG PHE A 4 7.254 6.974 -10.028 1.00 0.00 C -ATOM 55 CD1 PHE A 4 6.632 7.680 -11.043 1.00 0.00 C -ATOM 56 CD2 PHE A 4 8.619 7.132 -9.852 1.00 0.00 C -ATOM 57 CE1 PHE A 4 7.355 8.527 -11.863 1.00 0.00 C -ATOM 58 CE2 PHE A 4 9.346 7.977 -10.665 1.00 0.00 C -ATOM 59 CZ PHE A 4 8.715 8.674 -11.674 1.00 0.00 C -ATOM 60 H PHE A 4 7.780 6.769 -7.010 1.00 0.00 H -ATOM 61 HA PHE A 4 5.262 7.587 -8.213 1.00 0.00 H -ATOM 62 HB2 PHE A 4 7.131 5.276 -8.799 1.00 0.00 H -ATOM 63 HB3 PHE A 4 5.671 5.611 -9.718 1.00 0.00 H -ATOM 64 HD1 PHE A 4 5.569 7.564 -11.193 1.00 0.00 H -ATOM 65 HD2 PHE A 4 9.117 6.586 -9.063 1.00 0.00 H -ATOM 66 HE1 PHE A 4 6.858 9.072 -12.651 1.00 0.00 H -ATOM 67 HE2 PHE A 4 10.410 8.090 -10.514 1.00 0.00 H -ATOM 68 HZ PHE A 4 9.283 9.334 -12.312 1.00 0.00 H -ATOM 69 N LEU A 5 3.803 5.504 -7.571 1.00 0.00 N -ATOM 70 CA LEU A 5 2.907 4.600 -6.865 1.00 0.00 C -ATOM 71 C LEU A 5 2.439 3.516 -7.834 1.00 0.00 C -ATOM 72 O LEU A 5 1.859 3.836 -8.881 1.00 0.00 O -ATOM 73 CB LEU A 5 1.701 5.407 -6.290 1.00 0.00 C -ATOM 74 CG LEU A 5 0.803 4.745 -5.198 1.00 0.00 C -ATOM 75 CD1 LEU A 5 0.055 3.521 -5.693 1.00 0.00 C -ATOM 76 CD2 LEU A 5 1.612 4.398 -3.967 1.00 0.00 C -ATOM 77 H LEU A 5 3.512 5.884 -8.427 1.00 0.00 H -ATOM 78 HA LEU A 5 3.456 4.146 -6.053 1.00 0.00 H -ATOM 79 HB2 LEU A 5 2.090 6.324 -5.875 1.00 0.00 H -ATOM 80 HB3 LEU A 5 1.067 5.671 -7.125 1.00 0.00 H -ATOM 81 HG LEU A 5 0.056 5.466 -4.900 1.00 0.00 H -ATOM 82 HD11 LEU A 5 -0.493 3.080 -4.873 1.00 0.00 H -ATOM 83 HD12 LEU A 5 0.761 2.800 -6.078 1.00 0.00 H -ATOM 84 HD13 LEU A 5 -0.633 3.810 -6.474 1.00 0.00 H -ATOM 85 HD21 LEU A 5 2.044 5.294 -3.546 1.00 0.00 H -ATOM 86 HD22 LEU A 5 2.396 3.706 -4.237 1.00 0.00 H -ATOM 87 HD23 LEU A 5 0.968 3.930 -3.238 1.00 0.00 H -ATOM 88 N ASP A 6 2.665 2.260 -7.502 1.00 0.00 N -ATOM 89 CA ASP A 6 2.223 1.158 -8.354 1.00 0.00 C -ATOM 90 C ASP A 6 1.549 0.098 -7.476 1.00 0.00 C -ATOM 91 O ASP A 6 1.649 0.154 -6.246 1.00 0.00 O -ATOM 92 CB ASP A 6 3.404 0.548 -9.139 1.00 0.00 C -ATOM 93 CG ASP A 6 2.972 -0.193 -10.405 1.00 0.00 C -ATOM 94 OD1 ASP A 6 2.362 -1.263 -10.324 1.00 0.00 O -ATOM 95 OD2 ASP A 6 3.245 0.310 -11.520 1.00 0.00 O -ATOM 96 H ASP A 6 3.120 2.047 -6.653 1.00 0.00 H -ATOM 97 HA ASP A 6 1.488 1.551 -9.041 1.00 0.00 H -ATOM 98 HB2 ASP A 6 4.081 1.338 -9.428 1.00 0.00 H -ATOM 99 HB3 ASP A 6 3.927 -0.147 -8.498 1.00 0.00 H -ATOM 100 N PHE A 7 0.899 -0.858 -8.088 1.00 0.00 N -ATOM 101 CA PHE A 7 0.138 -1.871 -7.381 1.00 0.00 C -ATOM 102 C PHE A 7 0.500 -3.233 -7.920 1.00 0.00 C -ATOM 103 O PHE A 7 0.618 -3.400 -9.134 1.00 0.00 O -ATOM 104 CB PHE A 7 -1.386 -1.691 -7.607 1.00 0.00 C -ATOM 105 CG PHE A 7 -1.985 -0.374 -7.187 1.00 0.00 C -ATOM 106 CD1 PHE A 7 -2.065 0.685 -8.081 1.00 0.00 C -ATOM 107 CD2 PHE A 7 -2.491 -0.205 -5.912 1.00 0.00 C -ATOM 108 CE1 PHE A 7 -2.633 1.884 -7.706 1.00 0.00 C -ATOM 109 CE2 PHE A 7 -3.064 0.992 -5.532 1.00 0.00 C -ATOM 110 CZ PHE A 7 -3.134 2.039 -6.430 1.00 0.00 C -ATOM 111 H PHE A 7 0.997 -0.939 -9.064 1.00 0.00 H -ATOM 112 HA PHE A 7 0.345 -1.812 -6.324 1.00 0.00 H -ATOM 113 HB2 PHE A 7 -1.602 -1.814 -8.658 1.00 0.00 H -ATOM 114 HB3 PHE A 7 -1.900 -2.474 -7.069 1.00 0.00 H -ATOM 115 HD1 PHE A 7 -1.673 0.563 -9.080 1.00 0.00 H -ATOM 116 HD2 PHE A 7 -2.436 -1.021 -5.207 1.00 0.00 H -ATOM 117 HE1 PHE A 7 -2.685 2.701 -8.411 1.00 0.00 H -ATOM 118 HE2 PHE A 7 -3.457 1.111 -4.533 1.00 0.00 H -ATOM 119 HZ PHE A 7 -3.583 2.977 -6.138 1.00 0.00 H -ATOM 120 N ASP A 8 0.682 -4.200 -7.039 1.00 0.00 N -ATOM 121 CA ASP A 8 0.849 -5.598 -7.448 1.00 0.00 C -ATOM 122 C ASP A 8 -0.393 -6.027 -8.197 1.00 0.00 C -ATOM 123 O ASP A 8 -1.467 -5.427 -7.999 1.00 0.00 O -ATOM 124 CB ASP A 8 1.068 -6.532 -6.237 1.00 0.00 C -ATOM 125 CG ASP A 8 1.170 -8.004 -6.632 1.00 0.00 C -ATOM 126 OD1 ASP A 8 2.256 -8.460 -7.047 1.00 0.00 O -ATOM 127 OD2 ASP A 8 0.162 -8.732 -6.536 1.00 0.00 O -ATOM 128 H ASP A 8 0.719 -3.984 -6.080 1.00 0.00 H -ATOM 129 HA ASP A 8 1.700 -5.653 -8.111 1.00 0.00 H -ATOM 130 HB2 ASP A 8 1.984 -6.251 -5.736 1.00 0.00 H -ATOM 131 HB3 ASP A 8 0.241 -6.418 -5.551 1.00 0.00 H -ATOM 132 N GLU A 9 -0.269 -7.028 -9.052 1.00 0.00 N -ATOM 133 CA GLU A 9 -1.389 -7.501 -9.825 1.00 0.00 C -ATOM 134 C GLU A 9 -2.588 -7.824 -8.928 1.00 0.00 C -ATOM 135 O GLU A 9 -3.686 -7.416 -9.238 1.00 0.00 O -ATOM 136 CB GLU A 9 -1.015 -8.705 -10.691 1.00 0.00 C -ATOM 137 CG GLU A 9 -0.376 -9.850 -9.928 1.00 0.00 C -ATOM 138 CD GLU A 9 -0.304 -11.101 -10.739 1.00 0.00 C -ATOM 139 OE1 GLU A 9 0.487 -11.173 -11.692 1.00 0.00 O -ATOM 140 OE2 GLU A 9 -1.046 -12.052 -10.435 1.00 0.00 O -ATOM 141 H GLU A 9 0.607 -7.459 -9.154 1.00 0.00 H -ATOM 142 HA GLU A 9 -1.677 -6.686 -10.473 1.00 0.00 H -ATOM 143 HB2 GLU A 9 -1.906 -9.081 -11.171 1.00 0.00 H -ATOM 144 HB3 GLU A 9 -0.321 -8.379 -11.452 1.00 0.00 H -ATOM 145 HG2 GLU A 9 0.624 -9.565 -9.632 1.00 0.00 H -ATOM 146 HG3 GLU A 9 -0.973 -10.040 -9.048 1.00 0.00 H -ATOM 147 N ARG A 10 -2.351 -8.461 -7.775 1.00 0.00 N -ATOM 148 CA ARG A 10 -3.430 -8.775 -6.844 1.00 0.00 C -ATOM 149 C ARG A 10 -4.063 -7.519 -6.306 1.00 0.00 C -ATOM 150 O ARG A 10 -5.291 -7.373 -6.297 1.00 0.00 O -ATOM 151 CB ARG A 10 -2.924 -9.534 -5.659 1.00 0.00 C -ATOM 152 CG ARG A 10 -2.668 -11.004 -5.824 1.00 0.00 C -ATOM 153 CD ARG A 10 -2.268 -11.546 -4.469 1.00 0.00 C -ATOM 154 NE ARG A 10 -3.188 -11.025 -3.434 1.00 0.00 N -ATOM 155 CZ ARG A 10 -2.808 -10.477 -2.279 1.00 0.00 C -ATOM 156 NH1 ARG A 10 -1.593 -10.689 -1.807 1.00 0.00 N -ATOM 157 NH2 ARG A 10 -3.665 -9.736 -1.579 1.00 0.00 N -ATOM 158 H ARG A 10 -1.429 -8.706 -7.523 1.00 0.00 H -ATOM 159 HA ARG A 10 -4.170 -9.371 -7.353 1.00 0.00 H -ATOM 160 HB2 ARG A 10 -1.992 -9.084 -5.350 1.00 0.00 H -ATOM 161 HB3 ARG A 10 -3.635 -9.405 -4.856 1.00 0.00 H -ATOM 162 HG2 ARG A 10 -3.569 -11.491 -6.169 1.00 0.00 H -ATOM 163 HG3 ARG A 10 -1.861 -11.160 -6.524 1.00 0.00 H -ATOM 164 HD2 ARG A 10 -2.325 -12.622 -4.494 1.00 0.00 H -ATOM 165 HD3 ARG A 10 -1.263 -11.229 -4.237 1.00 0.00 H -ATOM 166 HE ARG A 10 -4.130 -11.003 -3.720 1.00 0.00 H -ATOM 167 HH11 ARG A 10 -0.935 -11.278 -2.289 1.00 0.00 H -ATOM 168 HH12 ARG A 10 -1.285 -10.263 -0.953 1.00 0.00 H -ATOM 169 HH21 ARG A 10 -4.614 -9.543 -1.878 1.00 0.00 H -ATOM 170 HH22 ARG A 10 -3.394 -9.326 -0.706 1.00 0.00 H -ATOM 171 N ALA A 11 -3.210 -6.612 -5.868 1.00 0.00 N -ATOM 172 CA ALA A 11 -3.629 -5.372 -5.253 1.00 0.00 C -ATOM 173 C ALA A 11 -4.484 -4.557 -6.200 1.00 0.00 C -ATOM 174 O ALA A 11 -5.410 -3.899 -5.778 1.00 0.00 O -ATOM 175 CB ALA A 11 -2.424 -4.570 -4.791 1.00 0.00 C -ATOM 176 H ALA A 11 -2.253 -6.794 -5.985 1.00 0.00 H -ATOM 177 HA ALA A 11 -4.222 -5.623 -4.385 1.00 0.00 H -ATOM 178 HB1 ALA A 11 -1.823 -4.301 -5.648 1.00 0.00 H -ATOM 179 HB2 ALA A 11 -1.833 -5.162 -4.107 1.00 0.00 H -ATOM 180 HB3 ALA A 11 -2.758 -3.674 -4.290 1.00 0.00 H -ATOM 181 N LEU A 12 -4.188 -4.646 -7.482 1.00 0.00 N -ATOM 182 CA LEU A 12 -4.929 -3.914 -8.486 1.00 0.00 C -ATOM 183 C LEU A 12 -6.372 -4.439 -8.587 1.00 0.00 C -ATOM 184 O LEU A 12 -7.312 -3.654 -8.697 1.00 0.00 O -ATOM 185 CB LEU A 12 -4.230 -4.006 -9.837 1.00 0.00 C -ATOM 186 CG LEU A 12 -4.712 -3.036 -10.923 1.00 0.00 C -ATOM 187 CD1 LEU A 12 -4.507 -1.588 -10.496 1.00 0.00 C -ATOM 188 CD2 LEU A 12 -3.994 -3.304 -12.231 1.00 0.00 C -ATOM 189 H LEU A 12 -3.427 -5.209 -7.748 1.00 0.00 H -ATOM 190 HA LEU A 12 -4.958 -2.881 -8.174 1.00 0.00 H -ATOM 191 HB2 LEU A 12 -3.165 -3.903 -9.696 1.00 0.00 H -ATOM 192 HB3 LEU A 12 -4.422 -5.005 -10.196 1.00 0.00 H -ATOM 193 HG LEU A 12 -5.769 -3.188 -11.080 1.00 0.00 H -ATOM 194 HD11 LEU A 12 -4.829 -0.935 -11.293 1.00 0.00 H -ATOM 195 HD12 LEU A 12 -3.462 -1.417 -10.288 1.00 0.00 H -ATOM 196 HD13 LEU A 12 -5.091 -1.382 -9.611 1.00 0.00 H -ATOM 197 HD21 LEU A 12 -4.208 -4.311 -12.554 1.00 0.00 H -ATOM 198 HD22 LEU A 12 -2.930 -3.178 -12.095 1.00 0.00 H -ATOM 199 HD23 LEU A 12 -4.347 -2.609 -12.977 1.00 0.00 H -ATOM 200 N LYS A 13 -6.547 -5.763 -8.515 1.00 0.00 N -ATOM 201 CA LYS A 13 -7.895 -6.357 -8.553 1.00 0.00 C -ATOM 202 C LYS A 13 -8.672 -5.936 -7.329 1.00 0.00 C -ATOM 203 O LYS A 13 -9.843 -5.567 -7.415 1.00 0.00 O -ATOM 204 CB LYS A 13 -7.878 -7.906 -8.639 1.00 0.00 C -ATOM 205 CG LYS A 13 -7.559 -8.512 -10.011 1.00 0.00 C -ATOM 206 CD LYS A 13 -6.177 -8.169 -10.485 1.00 0.00 C -ATOM 207 CE LYS A 13 -5.807 -8.848 -11.793 1.00 0.00 C -ATOM 208 NZ LYS A 13 -5.732 -10.315 -11.677 1.00 0.00 N -ATOM 209 H LYS A 13 -5.762 -6.344 -8.413 1.00 0.00 H -ATOM 210 HA LYS A 13 -8.397 -5.957 -9.421 1.00 0.00 H -ATOM 211 HB2 LYS A 13 -7.140 -8.273 -7.943 1.00 0.00 H -ATOM 212 HB3 LYS A 13 -8.847 -8.269 -8.326 1.00 0.00 H -ATOM 213 HG2 LYS A 13 -7.648 -9.586 -9.949 1.00 0.00 H -ATOM 214 HG3 LYS A 13 -8.279 -8.135 -10.722 1.00 0.00 H -ATOM 215 HD2 LYS A 13 -6.116 -7.099 -10.613 1.00 0.00 H -ATOM 216 HD3 LYS A 13 -5.478 -8.469 -9.716 1.00 0.00 H -ATOM 217 HE2 LYS A 13 -6.547 -8.602 -12.539 1.00 0.00 H -ATOM 218 HE3 LYS A 13 -4.843 -8.478 -12.108 1.00 0.00 H -ATOM 219 HZ1 LYS A 13 -5.473 -10.721 -12.597 1.00 0.00 H -ATOM 220 HZ2 LYS A 13 -6.654 -10.711 -11.402 1.00 0.00 H -ATOM 221 HZ3 LYS A 13 -5.021 -10.610 -10.979 1.00 0.00 H -ATOM 222 N GLU A 14 -8.000 -5.951 -6.199 1.00 0.00 N -ATOM 223 CA GLU A 14 -8.602 -5.577 -4.944 1.00 0.00 C -ATOM 224 C GLU A 14 -8.920 -4.078 -4.893 1.00 0.00 C -ATOM 225 O GLU A 14 -9.919 -3.671 -4.335 1.00 0.00 O -ATOM 226 CB GLU A 14 -7.782 -6.074 -3.758 1.00 0.00 C -ATOM 227 CG GLU A 14 -7.647 -7.591 -3.779 1.00 0.00 C -ATOM 228 CD GLU A 14 -7.137 -8.198 -2.496 1.00 0.00 C -ATOM 229 OE1 GLU A 14 -7.891 -8.235 -1.506 1.00 0.00 O -ATOM 230 OE2 GLU A 14 -6.008 -8.735 -2.472 1.00 0.00 O -ATOM 231 H GLU A 14 -7.061 -6.241 -6.214 1.00 0.00 H -ATOM 232 HA GLU A 14 -9.553 -6.089 -4.942 1.00 0.00 H -ATOM 233 HB2 GLU A 14 -6.800 -5.624 -3.791 1.00 0.00 H -ATOM 234 HB3 GLU A 14 -8.274 -5.785 -2.842 1.00 0.00 H -ATOM 235 HG2 GLU A 14 -8.607 -8.023 -4.017 1.00 0.00 H -ATOM 236 HG3 GLU A 14 -6.960 -7.843 -4.574 1.00 0.00 H -ATOM 237 N TRP A 15 -8.069 -3.286 -5.492 1.00 0.00 N -ATOM 238 CA TRP A 15 -8.264 -1.842 -5.639 1.00 0.00 C -ATOM 239 C TRP A 15 -9.555 -1.558 -6.448 1.00 0.00 C -ATOM 240 O TRP A 15 -10.315 -0.617 -6.155 1.00 0.00 O -ATOM 241 CB TRP A 15 -7.021 -1.283 -6.349 1.00 0.00 C -ATOM 242 CG TRP A 15 -7.046 0.161 -6.694 1.00 0.00 C -ATOM 243 CD1 TRP A 15 -7.233 0.692 -7.936 1.00 0.00 C -ATOM 244 CD2 TRP A 15 -6.858 1.259 -5.799 1.00 0.00 C -ATOM 245 NE1 TRP A 15 -7.170 2.065 -7.868 1.00 0.00 N -ATOM 246 CE2 TRP A 15 -6.943 2.436 -6.563 1.00 0.00 C -ATOM 247 CE3 TRP A 15 -6.626 1.359 -4.422 1.00 0.00 C -ATOM 248 CZ2 TRP A 15 -6.802 3.702 -5.998 1.00 0.00 C -ATOM 249 CZ3 TRP A 15 -6.486 2.611 -3.864 1.00 0.00 C -ATOM 250 CH2 TRP A 15 -6.575 3.766 -4.649 1.00 0.00 C -ATOM 251 H TRP A 15 -7.235 -3.675 -5.837 1.00 0.00 H -ATOM 252 HA TRP A 15 -8.351 -1.399 -4.658 1.00 0.00 H -ATOM 253 HB2 TRP A 15 -6.158 -1.440 -5.719 1.00 0.00 H -ATOM 254 HB3 TRP A 15 -6.882 -1.843 -7.262 1.00 0.00 H -ATOM 255 HD1 TRP A 15 -7.396 0.085 -8.818 1.00 0.00 H -ATOM 256 HE1 TRP A 15 -7.265 2.685 -8.625 1.00 0.00 H -ATOM 257 HE3 TRP A 15 -6.556 0.476 -3.803 1.00 0.00 H -ATOM 258 HZ2 TRP A 15 -6.866 4.604 -6.589 1.00 0.00 H -ATOM 259 HZ3 TRP A 15 -6.308 2.708 -2.803 1.00 0.00 H -ATOM 260 HH2 TRP A 15 -6.456 4.722 -4.161 1.00 0.00 H -ATOM 261 N ARG A 16 -9.798 -2.386 -7.448 1.00 0.00 N -ATOM 262 CA ARG A 16 -11.007 -2.294 -8.258 1.00 0.00 C -ATOM 263 C ARG A 16 -12.205 -2.797 -7.453 1.00 0.00 C -ATOM 264 O ARG A 16 -13.316 -2.276 -7.571 1.00 0.00 O -ATOM 265 CB ARG A 16 -10.850 -3.102 -9.544 1.00 0.00 C -ATOM 266 CG ARG A 16 -9.744 -2.598 -10.449 1.00 0.00 C -ATOM 267 CD ARG A 16 -9.538 -3.514 -11.636 1.00 0.00 C -ATOM 268 NE ARG A 16 -8.475 -3.029 -12.517 1.00 0.00 N -ATOM 269 CZ ARG A 16 -7.780 -3.771 -13.390 1.00 0.00 C -ATOM 270 NH1 ARG A 16 -8.011 -5.067 -13.504 1.00 0.00 N -ATOM 271 NH2 ARG A 16 -6.853 -3.196 -14.147 1.00 0.00 N -ATOM 272 H ARG A 16 -9.126 -3.075 -7.647 1.00 0.00 H -ATOM 273 HA ARG A 16 -11.162 -1.254 -8.501 1.00 0.00 H -ATOM 274 HB2 ARG A 16 -10.636 -4.128 -9.285 1.00 0.00 H -ATOM 275 HB3 ARG A 16 -11.781 -3.065 -10.090 1.00 0.00 H -ATOM 276 HG2 ARG A 16 -10.008 -1.613 -10.804 1.00 0.00 H -ATOM 277 HG3 ARG A 16 -8.826 -2.543 -9.883 1.00 0.00 H -ATOM 278 HD2 ARG A 16 -9.265 -4.489 -11.265 1.00 0.00 H -ATOM 279 HD3 ARG A 16 -10.461 -3.570 -12.192 1.00 0.00 H -ATOM 280 HE ARG A 16 -8.283 -2.065 -12.443 1.00 0.00 H -ATOM 281 HH11 ARG A 16 -8.705 -5.549 -12.966 1.00 0.00 H -ATOM 282 HH12 ARG A 16 -7.488 -5.646 -14.138 1.00 0.00 H -ATOM 283 HH21 ARG A 16 -6.663 -2.213 -14.070 1.00 0.00 H -ATOM 284 HH22 ARG A 16 -6.325 -3.715 -14.826 1.00 0.00 H -ATOM 285 N LYS A 17 -11.948 -3.802 -6.627 1.00 0.00 N -ATOM 286 CA LYS A 17 -12.924 -4.389 -5.719 1.00 0.00 C -ATOM 287 C LYS A 17 -13.370 -3.366 -4.667 1.00 0.00 C -ATOM 288 O LYS A 17 -14.513 -3.381 -4.215 1.00 0.00 O -ATOM 289 CB LYS A 17 -12.297 -5.613 -5.045 1.00 0.00 C -ATOM 290 CG LYS A 17 -13.150 -6.262 -3.985 1.00 0.00 C -ATOM 291 CD LYS A 17 -12.443 -7.441 -3.361 1.00 0.00 C -ATOM 292 CE LYS A 17 -13.215 -7.960 -2.171 1.00 0.00 C -ATOM 293 NZ LYS A 17 -14.567 -8.437 -2.530 1.00 0.00 N -ATOM 294 H LYS A 17 -11.045 -4.187 -6.650 1.00 0.00 H -ATOM 295 HA LYS A 17 -13.795 -4.710 -6.268 1.00 0.00 H -ATOM 296 HB2 LYS A 17 -12.075 -6.354 -5.797 1.00 0.00 H -ATOM 297 HB3 LYS A 17 -11.375 -5.293 -4.585 1.00 0.00 H -ATOM 298 HG2 LYS A 17 -13.362 -5.533 -3.218 1.00 0.00 H -ATOM 299 HG3 LYS A 17 -14.075 -6.596 -4.431 1.00 0.00 H -ATOM 300 HD2 LYS A 17 -12.352 -8.230 -4.093 1.00 0.00 H -ATOM 301 HD3 LYS A 17 -11.460 -7.131 -3.036 1.00 0.00 H -ATOM 302 HE2 LYS A 17 -12.666 -8.764 -1.709 1.00 0.00 H -ATOM 303 HE3 LYS A 17 -13.312 -7.130 -1.488 1.00 0.00 H -ATOM 304 HZ1 LYS A 17 -15.062 -8.744 -1.670 1.00 0.00 H -ATOM 305 HZ2 LYS A 17 -14.513 -9.238 -3.190 1.00 0.00 H -ATOM 306 HZ3 LYS A 17 -15.124 -7.684 -2.980 1.00 0.00 H -ATOM 307 N LEU A 18 -12.465 -2.496 -4.288 1.00 0.00 N -ATOM 308 CA LEU A 18 -12.738 -1.448 -3.322 1.00 0.00 C -ATOM 309 C LEU A 18 -13.765 -0.460 -3.817 1.00 0.00 C -ATOM 310 O LEU A 18 -13.870 -0.190 -5.024 1.00 0.00 O -ATOM 311 CB LEU A 18 -11.467 -0.697 -2.947 1.00 0.00 C -ATOM 312 CG LEU A 18 -10.857 -1.023 -1.591 1.00 0.00 C -ATOM 313 CD1 LEU A 18 -10.486 -2.487 -1.470 1.00 0.00 C -ATOM 314 CD2 LEU A 18 -9.666 -0.137 -1.343 1.00 0.00 C -ATOM 315 H LEU A 18 -11.564 -2.571 -4.671 1.00 0.00 H -ATOM 316 HA LEU A 18 -13.120 -1.919 -2.428 1.00 0.00 H -ATOM 317 HB2 LEU A 18 -10.724 -0.894 -3.704 1.00 0.00 H -ATOM 318 HB3 LEU A 18 -11.693 0.359 -2.967 1.00 0.00 H -ATOM 319 HG LEU A 18 -11.587 -0.807 -0.828 1.00 0.00 H -ATOM 320 HD11 LEU A 18 -10.051 -2.670 -0.498 1.00 0.00 H -ATOM 321 HD12 LEU A 18 -9.782 -2.749 -2.245 1.00 0.00 H -ATOM 322 HD13 LEU A 18 -11.386 -3.074 -1.577 1.00 0.00 H -ATOM 323 HD21 LEU A 18 -10.000 0.891 -1.356 1.00 0.00 H -ATOM 324 HD22 LEU A 18 -8.929 -0.290 -2.116 1.00 0.00 H -ATOM 325 HD23 LEU A 18 -9.244 -0.365 -0.376 1.00 0.00 H -ATOM 326 N GLY A 19 -14.525 0.057 -2.878 1.00 0.00 N -ATOM 327 CA GLY A 19 -15.500 1.074 -3.180 1.00 0.00 C -ATOM 328 C GLY A 19 -14.803 2.379 -3.480 1.00 0.00 C -ATOM 329 O GLY A 19 -13.741 2.654 -2.892 1.00 0.00 O -ATOM 330 H GLY A 19 -14.399 -0.259 -1.960 1.00 0.00 H -ATOM 331 HA2 GLY A 19 -16.079 0.765 -4.040 1.00 0.00 H -ATOM 332 HA3 GLY A 19 -16.154 1.210 -2.332 1.00 0.00 H -ATOM 333 N SER A 20 -15.392 3.168 -4.354 1.00 0.00 N -ATOM 334 CA SER A 20 -14.826 4.415 -4.846 1.00 0.00 C -ATOM 335 C SER A 20 -14.367 5.340 -3.724 1.00 0.00 C -ATOM 336 O SER A 20 -13.216 5.714 -3.665 1.00 0.00 O -ATOM 337 CB SER A 20 -15.858 5.096 -5.726 1.00 0.00 C -ATOM 338 OG SER A 20 -17.122 5.103 -5.078 1.00 0.00 O -ATOM 339 H SER A 20 -16.280 2.928 -4.696 1.00 0.00 H -ATOM 340 HA SER A 20 -13.974 4.170 -5.464 1.00 0.00 H -ATOM 341 HB2 SER A 20 -15.554 6.114 -5.918 1.00 0.00 H -ATOM 342 HB3 SER A 20 -15.947 4.559 -6.657 1.00 0.00 H -ATOM 343 HG SER A 20 -17.687 5.730 -5.543 1.00 0.00 H -ATOM 344 N THR A 21 -15.259 5.638 -2.825 1.00 0.00 N -ATOM 345 CA THR A 21 -14.995 6.529 -1.718 1.00 0.00 C -ATOM 346 C THR A 21 -13.833 6.013 -0.845 1.00 0.00 C -ATOM 347 O THR A 21 -12.952 6.779 -0.455 1.00 0.00 O -ATOM 348 CB THR A 21 -16.274 6.699 -0.881 1.00 0.00 C -ATOM 349 OG1 THR A 21 -17.347 7.071 -1.765 1.00 0.00 O -ATOM 350 CG2 THR A 21 -16.104 7.789 0.165 1.00 0.00 C -ATOM 351 H THR A 21 -16.150 5.246 -2.929 1.00 0.00 H -ATOM 352 HA THR A 21 -14.722 7.490 -2.127 1.00 0.00 H -ATOM 353 HB THR A 21 -16.502 5.761 -0.398 1.00 0.00 H -ATOM 354 HG1 THR A 21 -18.161 7.056 -1.246 1.00 0.00 H -ATOM 355 HG21 THR A 21 -15.288 7.530 0.823 1.00 0.00 H -ATOM 356 HG22 THR A 21 -17.012 7.887 0.740 1.00 0.00 H -ATOM 357 HG23 THR A 21 -15.885 8.726 -0.325 1.00 0.00 H -ATOM 358 N VAL A 22 -13.797 4.709 -0.619 1.00 0.00 N -ATOM 359 CA VAL A 22 -12.770 4.111 0.215 1.00 0.00 C -ATOM 360 C VAL A 22 -11.419 4.215 -0.474 1.00 0.00 C -ATOM 361 O VAL A 22 -10.427 4.650 0.128 1.00 0.00 O -ATOM 362 CB VAL A 22 -13.076 2.625 0.524 1.00 0.00 C -ATOM 363 CG1 VAL A 22 -11.981 2.018 1.389 1.00 0.00 C -ATOM 364 CG2 VAL A 22 -14.427 2.485 1.206 1.00 0.00 C -ATOM 365 H VAL A 22 -14.465 4.136 -1.052 1.00 0.00 H -ATOM 366 HA VAL A 22 -12.726 4.662 1.144 1.00 0.00 H -ATOM 367 HB VAL A 22 -13.107 2.086 -0.413 1.00 0.00 H -ATOM 368 HG11 VAL A 22 -11.916 2.559 2.322 1.00 0.00 H -ATOM 369 HG12 VAL A 22 -11.036 2.082 0.872 1.00 0.00 H -ATOM 370 HG13 VAL A 22 -12.213 0.983 1.592 1.00 0.00 H -ATOM 371 HG21 VAL A 22 -14.624 1.441 1.404 1.00 0.00 H -ATOM 372 HG22 VAL A 22 -15.197 2.887 0.565 1.00 0.00 H -ATOM 373 HG23 VAL A 22 -14.414 3.031 2.137 1.00 0.00 H -ATOM 374 N ARG A 23 -11.395 3.860 -1.744 1.00 0.00 N -ATOM 375 CA ARG A 23 -10.175 3.924 -2.499 1.00 0.00 C -ATOM 376 C ARG A 23 -9.717 5.354 -2.709 1.00 0.00 C -ATOM 377 O ARG A 23 -8.537 5.598 -2.741 1.00 0.00 O -ATOM 378 CB ARG A 23 -10.215 3.156 -3.813 1.00 0.00 C -ATOM 379 CG ARG A 23 -11.308 3.559 -4.760 1.00 0.00 C -ATOM 380 CD ARG A 23 -11.023 3.023 -6.135 1.00 0.00 C -ATOM 381 NE ARG A 23 -12.057 3.387 -7.105 1.00 0.00 N -ATOM 382 CZ ARG A 23 -12.638 2.537 -7.964 1.00 0.00 C -ATOM 383 NH1 ARG A 23 -12.377 1.221 -7.905 1.00 0.00 N -ATOM 384 NH2 ARG A 23 -13.490 3.000 -8.870 1.00 0.00 N -ATOM 385 H ARG A 23 -12.229 3.555 -2.167 1.00 0.00 H -ATOM 386 HA ARG A 23 -9.432 3.467 -1.861 1.00 0.00 H -ATOM 387 HB2 ARG A 23 -9.272 3.300 -4.320 1.00 0.00 H -ATOM 388 HB3 ARG A 23 -10.325 2.103 -3.596 1.00 0.00 H -ATOM 389 HG2 ARG A 23 -12.217 3.099 -4.396 1.00 0.00 H -ATOM 390 HG3 ARG A 23 -11.451 4.631 -4.768 1.00 0.00 H -ATOM 391 HD2 ARG A 23 -10.077 3.447 -6.442 1.00 0.00 H -ATOM 392 HD3 ARG A 23 -10.937 1.947 -6.081 1.00 0.00 H -ATOM 393 HE ARG A 23 -12.287 4.347 -7.124 1.00 0.00 H -ATOM 394 HH11 ARG A 23 -11.749 0.824 -7.231 1.00 0.00 H -ATOM 395 HH12 ARG A 23 -12.815 0.580 -8.540 1.00 0.00 H -ATOM 396 HH21 ARG A 23 -13.715 3.979 -8.940 1.00 0.00 H -ATOM 397 HH22 ARG A 23 -13.946 2.396 -9.527 1.00 0.00 H -ATOM 398 N GLU A 24 -10.655 6.290 -2.875 1.00 0.00 N -ATOM 399 CA GLU A 24 -10.301 7.696 -3.018 1.00 0.00 C -ATOM 400 C GLU A 24 -9.534 8.192 -1.828 1.00 0.00 C -ATOM 401 O GLU A 24 -8.516 8.847 -1.993 1.00 0.00 O -ATOM 402 CB GLU A 24 -11.494 8.602 -3.236 1.00 0.00 C -ATOM 403 CG GLU A 24 -12.184 8.437 -4.559 1.00 0.00 C -ATOM 404 CD GLU A 24 -13.177 9.527 -4.784 1.00 0.00 C -ATOM 405 OE1 GLU A 24 -14.152 9.637 -4.015 1.00 0.00 O -ATOM 406 OE2 GLU A 24 -12.973 10.341 -5.712 1.00 0.00 O -ATOM 407 H GLU A 24 -11.603 6.029 -2.919 1.00 0.00 H -ATOM 408 HA GLU A 24 -9.653 7.768 -3.879 1.00 0.00 H -ATOM 409 HB2 GLU A 24 -12.218 8.388 -2.463 1.00 0.00 H -ATOM 410 HB3 GLU A 24 -11.175 9.629 -3.139 1.00 0.00 H -ATOM 411 HG2 GLU A 24 -11.447 8.467 -5.347 1.00 0.00 H -ATOM 412 HG3 GLU A 24 -12.698 7.488 -4.573 1.00 0.00 H -ATOM 413 N GLN A 25 -9.998 7.866 -0.631 1.00 0.00 N -ATOM 414 CA GLN A 25 -9.298 8.305 0.562 1.00 0.00 C -ATOM 415 C GLN A 25 -7.951 7.629 0.703 1.00 0.00 C -ATOM 416 O GLN A 25 -6.989 8.250 1.148 1.00 0.00 O -ATOM 417 CB GLN A 25 -10.135 8.222 1.842 1.00 0.00 C -ATOM 418 CG GLN A 25 -11.053 9.425 2.068 1.00 0.00 C -ATOM 419 CD GLN A 25 -12.188 9.552 1.078 1.00 0.00 C -ATOM 420 OE1 GLN A 25 -12.057 10.170 0.012 1.00 0.00 O -ATOM 421 NE2 GLN A 25 -13.314 9.010 1.431 1.00 0.00 N -ATOM 422 H GLN A 25 -10.817 7.324 -0.554 1.00 0.00 H -ATOM 423 HA GLN A 25 -9.071 9.344 0.368 1.00 0.00 H -ATOM 424 HB2 GLN A 25 -10.750 7.337 1.796 1.00 0.00 H -ATOM 425 HB3 GLN A 25 -9.468 8.144 2.687 1.00 0.00 H -ATOM 426 HG2 GLN A 25 -11.484 9.354 3.056 1.00 0.00 H -ATOM 427 HG3 GLN A 25 -10.450 10.320 2.015 1.00 0.00 H -ATOM 428 HE21 GLN A 25 -13.372 8.550 2.296 1.00 0.00 H -ATOM 429 HE22 GLN A 25 -14.074 9.102 0.823 1.00 0.00 H -ATOM 430 N LEU A 26 -7.870 6.374 0.296 1.00 0.00 N -ATOM 431 CA LEU A 26 -6.593 5.678 0.272 1.00 0.00 C -ATOM 432 C LEU A 26 -5.661 6.323 -0.746 1.00 0.00 C -ATOM 433 O LEU A 26 -4.494 6.516 -0.471 1.00 0.00 O -ATOM 434 CB LEU A 26 -6.768 4.186 -0.014 1.00 0.00 C -ATOM 435 CG LEU A 26 -7.410 3.355 1.108 1.00 0.00 C -ATOM 436 CD1 LEU A 26 -7.623 1.931 0.653 1.00 0.00 C -ATOM 437 CD2 LEU A 26 -6.528 3.367 2.352 1.00 0.00 C -ATOM 438 H LEU A 26 -8.689 5.906 0.018 1.00 0.00 H -ATOM 439 HA LEU A 26 -6.147 5.804 1.247 1.00 0.00 H -ATOM 440 HB2 LEU A 26 -7.378 4.103 -0.902 1.00 0.00 H -ATOM 441 HB3 LEU A 26 -5.795 3.771 -0.232 1.00 0.00 H -ATOM 442 HG LEU A 26 -8.371 3.773 1.370 1.00 0.00 H -ATOM 443 HD11 LEU A 26 -6.673 1.492 0.390 1.00 0.00 H -ATOM 444 HD12 LEU A 26 -8.271 1.922 -0.208 1.00 0.00 H -ATOM 445 HD13 LEU A 26 -8.074 1.360 1.452 1.00 0.00 H -ATOM 446 HD21 LEU A 26 -6.993 2.774 3.125 1.00 0.00 H -ATOM 447 HD22 LEU A 26 -6.397 4.378 2.706 1.00 0.00 H -ATOM 448 HD23 LEU A 26 -5.564 2.943 2.112 1.00 0.00 H -ATOM 449 N LYS A 27 -6.204 6.677 -1.903 1.00 0.00 N -ATOM 450 CA LYS A 27 -5.471 7.379 -2.948 1.00 0.00 C -ATOM 451 C LYS A 27 -4.945 8.711 -2.412 1.00 0.00 C -ATOM 452 O LYS A 27 -3.812 9.090 -2.679 1.00 0.00 O -ATOM 453 CB LYS A 27 -6.388 7.648 -4.137 1.00 0.00 C -ATOM 454 CG LYS A 27 -5.718 8.387 -5.287 1.00 0.00 C -ATOM 455 CD LYS A 27 -6.727 8.870 -6.318 1.00 0.00 C -ATOM 456 CE LYS A 27 -7.627 9.962 -5.741 1.00 0.00 C -ATOM 457 NZ LYS A 27 -8.598 10.463 -6.726 1.00 0.00 N -ATOM 458 H LYS A 27 -7.140 6.424 -2.075 1.00 0.00 H -ATOM 459 HA LYS A 27 -4.644 6.763 -3.269 1.00 0.00 H -ATOM 460 HB2 LYS A 27 -6.758 6.705 -4.510 1.00 0.00 H -ATOM 461 HB3 LYS A 27 -7.223 8.229 -3.779 1.00 0.00 H -ATOM 462 HG2 LYS A 27 -5.203 9.244 -4.877 1.00 0.00 H -ATOM 463 HG3 LYS A 27 -5.006 7.728 -5.762 1.00 0.00 H -ATOM 464 HD2 LYS A 27 -6.199 9.267 -7.173 1.00 0.00 H -ATOM 465 HD3 LYS A 27 -7.340 8.035 -6.626 1.00 0.00 H -ATOM 466 HE2 LYS A 27 -8.169 9.581 -4.890 1.00 0.00 H -ATOM 467 HE3 LYS A 27 -6.993 10.779 -5.426 1.00 0.00 H -ATOM 468 HZ1 LYS A 27 -9.207 11.197 -6.313 1.00 0.00 H -ATOM 469 HZ2 LYS A 27 -9.205 9.712 -7.108 1.00 0.00 H -ATOM 470 HZ3 LYS A 27 -8.106 10.891 -7.535 1.00 0.00 H -ATOM 471 N LYS A 28 -5.794 9.418 -1.667 1.00 0.00 N -ATOM 472 CA LYS A 28 -5.412 10.676 -1.026 1.00 0.00 C -ATOM 473 C LYS A 28 -4.245 10.450 -0.081 1.00 0.00 C -ATOM 474 O LYS A 28 -3.284 11.222 -0.067 1.00 0.00 O -ATOM 475 CB LYS A 28 -6.594 11.296 -0.277 1.00 0.00 C -ATOM 476 CG LYS A 28 -7.739 11.683 -1.169 1.00 0.00 C -ATOM 477 CD LYS A 28 -8.890 12.247 -0.376 1.00 0.00 C -ATOM 478 CE LYS A 28 -10.089 12.495 -1.264 1.00 0.00 C -ATOM 479 NZ LYS A 28 -9.807 13.459 -2.359 1.00 0.00 N -ATOM 480 H LYS A 28 -6.712 9.079 -1.571 1.00 0.00 H -ATOM 481 HA LYS A 28 -5.101 11.349 -1.811 1.00 0.00 H -ATOM 482 HB2 LYS A 28 -6.974 10.583 0.439 1.00 0.00 H -ATOM 483 HB3 LYS A 28 -6.265 12.181 0.245 1.00 0.00 H -ATOM 484 HG2 LYS A 28 -7.394 12.439 -1.859 1.00 0.00 H -ATOM 485 HG3 LYS A 28 -8.073 10.814 -1.716 1.00 0.00 H -ATOM 486 HD2 LYS A 28 -9.164 11.547 0.400 1.00 0.00 H -ATOM 487 HD3 LYS A 28 -8.585 13.181 0.072 1.00 0.00 H -ATOM 488 HE2 LYS A 28 -10.370 11.547 -1.698 1.00 0.00 H -ATOM 489 HE3 LYS A 28 -10.898 12.865 -0.652 1.00 0.00 H -ATOM 490 HZ1 LYS A 28 -9.501 14.378 -1.982 1.00 0.00 H -ATOM 491 HZ2 LYS A 28 -10.662 13.616 -2.930 1.00 0.00 H -ATOM 492 HZ3 LYS A 28 -9.067 13.100 -2.994 1.00 0.00 H -ATOM 493 N LYS A 29 -4.317 9.362 0.672 1.00 0.00 N -ATOM 494 CA LYS A 29 -3.251 8.975 1.576 1.00 0.00 C -ATOM 495 C LYS A 29 -1.982 8.640 0.815 1.00 0.00 C -ATOM 496 O LYS A 29 -0.893 9.021 1.222 1.00 0.00 O -ATOM 497 CB LYS A 29 -3.666 7.800 2.460 1.00 0.00 C -ATOM 498 CG LYS A 29 -4.787 8.111 3.436 1.00 0.00 C -ATOM 499 CD LYS A 29 -4.397 9.257 4.343 1.00 0.00 C -ATOM 500 CE LYS A 29 -5.411 9.485 5.433 1.00 0.00 C -ATOM 501 NZ LYS A 29 -5.038 10.643 6.271 1.00 0.00 N -ATOM 502 H LYS A 29 -5.128 8.810 0.618 1.00 0.00 H -ATOM 503 HA LYS A 29 -3.031 9.818 2.209 1.00 0.00 H -ATOM 504 HB2 LYS A 29 -3.983 6.980 1.833 1.00 0.00 H -ATOM 505 HB3 LYS A 29 -2.804 7.495 3.032 1.00 0.00 H -ATOM 506 HG2 LYS A 29 -5.672 8.384 2.880 1.00 0.00 H -ATOM 507 HG3 LYS A 29 -4.988 7.236 4.036 1.00 0.00 H -ATOM 508 HD2 LYS A 29 -3.443 9.029 4.794 1.00 0.00 H -ATOM 509 HD3 LYS A 29 -4.307 10.159 3.754 1.00 0.00 H -ATOM 510 HE2 LYS A 29 -6.381 9.652 4.991 1.00 0.00 H -ATOM 511 HE3 LYS A 29 -5.440 8.599 6.049 1.00 0.00 H -ATOM 512 HZ1 LYS A 29 -4.093 10.518 6.682 1.00 0.00 H -ATOM 513 HZ2 LYS A 29 -5.724 10.783 7.040 1.00 0.00 H -ATOM 514 HZ3 LYS A 29 -5.031 11.509 5.697 1.00 0.00 H -ATOM 515 N LEU A 30 -2.136 7.953 -0.290 1.00 0.00 N -ATOM 516 CA LEU A 30 -1.022 7.592 -1.131 1.00 0.00 C -ATOM 517 C LEU A 30 -0.363 8.824 -1.715 1.00 0.00 C -ATOM 518 O LEU A 30 0.845 8.979 -1.637 1.00 0.00 O -ATOM 519 CB LEU A 30 -1.469 6.657 -2.259 1.00 0.00 C -ATOM 520 CG LEU A 30 -2.071 5.324 -1.821 1.00 0.00 C -ATOM 521 CD1 LEU A 30 -2.502 4.508 -3.023 1.00 0.00 C -ATOM 522 CD2 LEU A 30 -1.092 4.551 -0.954 1.00 0.00 C -ATOM 523 H LEU A 30 -3.041 7.652 -0.532 1.00 0.00 H -ATOM 524 HA LEU A 30 -0.303 7.069 -0.519 1.00 0.00 H -ATOM 525 HB2 LEU A 30 -2.202 7.181 -2.854 1.00 0.00 H -ATOM 526 HB3 LEU A 30 -0.608 6.450 -2.880 1.00 0.00 H -ATOM 527 HG LEU A 30 -2.954 5.527 -1.235 1.00 0.00 H -ATOM 528 HD11 LEU A 30 -3.261 5.048 -3.567 1.00 0.00 H -ATOM 529 HD12 LEU A 30 -2.893 3.557 -2.694 1.00 0.00 H -ATOM 530 HD13 LEU A 30 -1.649 4.349 -3.664 1.00 0.00 H -ATOM 531 HD21 LEU A 30 -1.520 3.596 -0.689 1.00 0.00 H -ATOM 532 HD22 LEU A 30 -0.915 5.123 -0.055 1.00 0.00 H -ATOM 533 HD23 LEU A 30 -0.159 4.408 -1.477 1.00 0.00 H -ATOM 534 N VAL A 31 -1.164 9.729 -2.244 1.00 0.00 N -ATOM 535 CA VAL A 31 -0.630 10.911 -2.883 1.00 0.00 C -ATOM 536 C VAL A 31 0.058 11.846 -1.864 1.00 0.00 C -ATOM 537 O VAL A 31 1.086 12.466 -2.184 1.00 0.00 O -ATOM 538 CB VAL A 31 -1.690 11.660 -3.770 1.00 0.00 C -ATOM 539 CG1 VAL A 31 -2.763 12.355 -2.959 1.00 0.00 C -ATOM 540 CG2 VAL A 31 -1.034 12.620 -4.740 1.00 0.00 C -ATOM 541 H VAL A 31 -2.136 9.578 -2.213 1.00 0.00 H -ATOM 542 HA VAL A 31 0.158 10.546 -3.526 1.00 0.00 H -ATOM 543 HB VAL A 31 -2.193 10.901 -4.353 1.00 0.00 H -ATOM 544 HG11 VAL A 31 -2.313 13.126 -2.351 1.00 0.00 H -ATOM 545 HG12 VAL A 31 -3.227 11.627 -2.312 1.00 0.00 H -ATOM 546 HG13 VAL A 31 -3.500 12.790 -3.618 1.00 0.00 H -ATOM 547 HG21 VAL A 31 -0.489 13.377 -4.192 1.00 0.00 H -ATOM 548 HG22 VAL A 31 -1.804 13.081 -5.340 1.00 0.00 H -ATOM 549 HG23 VAL A 31 -0.358 12.075 -5.381 1.00 0.00 H -ATOM 550 N GLU A 32 -0.490 11.947 -0.639 1.00 0.00 N -ATOM 551 CA GLU A 32 0.176 12.730 0.385 1.00 0.00 C -ATOM 552 C GLU A 32 1.471 12.047 0.839 1.00 0.00 C -ATOM 553 O GLU A 32 2.526 12.673 0.861 1.00 0.00 O -ATOM 554 CB GLU A 32 -0.733 13.090 1.589 1.00 0.00 C -ATOM 555 CG GLU A 32 -1.293 11.909 2.362 1.00 0.00 C -ATOM 556 CD GLU A 32 -2.036 12.311 3.613 1.00 0.00 C -ATOM 557 OE1 GLU A 32 -3.166 12.831 3.516 1.00 0.00 O -ATOM 558 OE2 GLU A 32 -1.504 12.100 4.730 1.00 0.00 O -ATOM 559 H GLU A 32 -1.340 11.498 -0.432 1.00 0.00 H -ATOM 560 HA GLU A 32 0.472 13.641 -0.115 1.00 0.00 H -ATOM 561 HB2 GLU A 32 -0.176 13.706 2.279 1.00 0.00 H -ATOM 562 HB3 GLU A 32 -1.565 13.663 1.205 1.00 0.00 H -ATOM 563 HG2 GLU A 32 -1.975 11.389 1.708 1.00 0.00 H -ATOM 564 HG3 GLU A 32 -0.480 11.251 2.629 1.00 0.00 H -ATOM 565 N VAL A 33 1.395 10.738 1.083 1.00 0.00 N -ATOM 566 CA VAL A 33 2.501 9.962 1.626 1.00 0.00 C -ATOM 567 C VAL A 33 3.722 9.952 0.694 1.00 0.00 C -ATOM 568 O VAL A 33 4.831 9.872 1.156 1.00 0.00 O -ATOM 569 CB VAL A 33 2.100 8.511 2.064 1.00 0.00 C -ATOM 570 CG1 VAL A 33 2.061 7.524 0.905 1.00 0.00 C -ATOM 571 CG2 VAL A 33 2.986 8.017 3.194 1.00 0.00 C -ATOM 572 H VAL A 33 0.550 10.263 0.906 1.00 0.00 H -ATOM 573 HA VAL A 33 2.811 10.507 2.509 1.00 0.00 H -ATOM 574 HB VAL A 33 1.091 8.574 2.442 1.00 0.00 H -ATOM 575 HG11 VAL A 33 3.051 7.438 0.480 1.00 0.00 H -ATOM 576 HG12 VAL A 33 1.390 7.897 0.148 1.00 0.00 H -ATOM 577 HG13 VAL A 33 1.728 6.557 1.250 1.00 0.00 H -ATOM 578 HG21 VAL A 33 2.846 8.636 4.067 1.00 0.00 H -ATOM 579 HG22 VAL A 33 4.013 8.094 2.874 1.00 0.00 H -ATOM 580 HG23 VAL A 33 2.746 6.989 3.426 1.00 0.00 H -ATOM 581 N LEU A 34 3.491 10.059 -0.618 1.00 0.00 N -ATOM 582 CA LEU A 34 4.561 10.021 -1.642 1.00 0.00 C -ATOM 583 C LEU A 34 5.688 11.036 -1.386 1.00 0.00 C -ATOM 584 O LEU A 34 6.803 10.839 -1.865 1.00 0.00 O -ATOM 585 CB LEU A 34 3.999 10.241 -3.058 1.00 0.00 C -ATOM 586 CG LEU A 34 3.067 9.158 -3.609 1.00 0.00 C -ATOM 587 CD1 LEU A 34 2.558 9.545 -4.987 1.00 0.00 C -ATOM 588 CD2 LEU A 34 3.771 7.809 -3.661 1.00 0.00 C -ATOM 589 H LEU A 34 2.559 10.137 -0.914 1.00 0.00 H -ATOM 590 HA LEU A 34 4.996 9.035 -1.605 1.00 0.00 H -ATOM 591 HB2 LEU A 34 3.459 11.175 -3.058 1.00 0.00 H -ATOM 592 HB3 LEU A 34 4.837 10.338 -3.733 1.00 0.00 H -ATOM 593 HG LEU A 34 2.211 9.071 -2.956 1.00 0.00 H -ATOM 594 HD11 LEU A 34 2.023 10.480 -4.928 1.00 0.00 H -ATOM 595 HD12 LEU A 34 1.895 8.775 -5.357 1.00 0.00 H -ATOM 596 HD13 LEU A 34 3.393 9.651 -5.664 1.00 0.00 H -ATOM 597 HD21 LEU A 34 3.104 7.073 -4.083 1.00 0.00 H -ATOM 598 HD22 LEU A 34 4.042 7.503 -2.661 1.00 0.00 H -ATOM 599 HD23 LEU A 34 4.659 7.882 -4.270 1.00 0.00 H -ATOM 600 N GLU A 35 5.404 12.124 -0.669 1.00 0.00 N -ATOM 601 CA GLU A 35 6.449 13.103 -0.349 1.00 0.00 C -ATOM 602 C GLU A 35 7.479 12.512 0.628 1.00 0.00 C -ATOM 603 O GLU A 35 8.660 12.869 0.603 1.00 0.00 O -ATOM 604 CB GLU A 35 5.854 14.379 0.252 1.00 0.00 C -ATOM 605 CG GLU A 35 5.069 14.151 1.528 1.00 0.00 C -ATOM 606 CD GLU A 35 4.539 15.411 2.120 1.00 0.00 C -ATOM 607 OE1 GLU A 35 3.846 16.174 1.414 1.00 0.00 O -ATOM 608 OE2 GLU A 35 4.807 15.683 3.304 1.00 0.00 O -ATOM 609 H GLU A 35 4.490 12.256 -0.335 1.00 0.00 H -ATOM 610 HA GLU A 35 6.952 13.350 -1.271 1.00 0.00 H -ATOM 611 HB2 GLU A 35 6.656 15.067 0.472 1.00 0.00 H -ATOM 612 HB3 GLU A 35 5.196 14.831 -0.477 1.00 0.00 H -ATOM 613 HG2 GLU A 35 4.236 13.499 1.314 1.00 0.00 H -ATOM 614 HG3 GLU A 35 5.717 13.675 2.250 1.00 0.00 H -ATOM 615 N SER A 36 7.023 11.621 1.484 1.00 0.00 N -ATOM 616 CA SER A 36 7.849 10.983 2.481 1.00 0.00 C -ATOM 617 C SER A 36 7.217 9.662 2.918 1.00 0.00 C -ATOM 618 O SER A 36 6.566 9.597 3.933 1.00 0.00 O -ATOM 619 CB SER A 36 8.062 11.900 3.705 1.00 0.00 C -ATOM 620 OG SER A 36 8.738 13.107 3.342 1.00 0.00 O -ATOM 621 H SER A 36 6.082 11.337 1.432 1.00 0.00 H -ATOM 622 HA SER A 36 8.808 10.769 2.035 1.00 0.00 H -ATOM 623 HB2 SER A 36 7.101 12.154 4.129 1.00 0.00 H -ATOM 624 HB3 SER A 36 8.650 11.376 4.443 1.00 0.00 H -ATOM 625 HG SER A 36 8.817 13.090 2.375 1.00 0.00 H -ATOM 626 N PRO A 37 7.337 8.598 2.110 1.00 0.00 N -ATOM 627 CA PRO A 37 6.766 7.298 2.459 1.00 0.00 C -ATOM 628 C PRO A 37 7.654 6.523 3.424 1.00 0.00 C -ATOM 629 O PRO A 37 7.315 5.447 3.862 1.00 0.00 O -ATOM 630 CB PRO A 37 6.670 6.587 1.113 1.00 0.00 C -ATOM 631 CG PRO A 37 7.798 7.149 0.320 1.00 0.00 C -ATOM 632 CD PRO A 37 7.951 8.583 0.765 1.00 0.00 C -ATOM 633 HA PRO A 37 5.786 7.394 2.899 1.00 0.00 H -ATOM 634 HB2 PRO A 37 6.768 5.521 1.255 1.00 0.00 H -ATOM 635 HB3 PRO A 37 5.718 6.807 0.652 1.00 0.00 H -ATOM 636 HG2 PRO A 37 8.702 6.596 0.528 1.00 0.00 H -ATOM 637 HG3 PRO A 37 7.568 7.106 -0.735 1.00 0.00 H -ATOM 638 HD2 PRO A 37 8.993 8.865 0.808 1.00 0.00 H -ATOM 639 HD3 PRO A 37 7.404 9.233 0.096 1.00 0.00 H -ATOM 640 N ARG A 38 8.765 7.119 3.784 1.00 0.00 N -ATOM 641 CA ARG A 38 9.746 6.495 4.658 1.00 0.00 C -ATOM 642 C ARG A 38 9.447 6.739 6.150 1.00 0.00 C -ATOM 643 O ARG A 38 10.342 6.651 6.996 1.00 0.00 O -ATOM 644 CB ARG A 38 11.175 6.936 4.249 1.00 0.00 C -ATOM 645 CG ARG A 38 11.417 8.455 4.100 1.00 0.00 C -ATOM 646 CD ARG A 38 11.414 9.209 5.427 1.00 0.00 C -ATOM 647 NE ARG A 38 12.449 8.721 6.355 1.00 0.00 N -ATOM 648 CZ ARG A 38 12.782 9.305 7.513 1.00 0.00 C -ATOM 649 NH1 ARG A 38 12.200 10.434 7.886 1.00 0.00 N -ATOM 650 NH2 ARG A 38 13.701 8.756 8.286 1.00 0.00 N -ATOM 651 H ARG A 38 8.906 8.025 3.442 1.00 0.00 H -ATOM 652 HA ARG A 38 9.664 5.432 4.489 1.00 0.00 H -ATOM 653 HB2 ARG A 38 11.859 6.577 5.002 1.00 0.00 H -ATOM 654 HB3 ARG A 38 11.422 6.459 3.312 1.00 0.00 H -ATOM 655 HG2 ARG A 38 12.368 8.614 3.617 1.00 0.00 H -ATOM 656 HG3 ARG A 38 10.641 8.858 3.467 1.00 0.00 H -ATOM 657 HD2 ARG A 38 11.582 10.256 5.233 1.00 0.00 H -ATOM 658 HD3 ARG A 38 10.445 9.078 5.887 1.00 0.00 H -ATOM 659 HE ARG A 38 12.904 7.892 6.087 1.00 0.00 H -ATOM 660 HH11 ARG A 38 11.496 10.870 7.321 1.00 0.00 H -ATOM 661 HH12 ARG A 38 12.445 10.922 8.726 1.00 0.00 H -ATOM 662 HH21 ARG A 38 14.171 7.902 8.040 1.00 0.00 H -ATOM 663 HH22 ARG A 38 13.978 9.163 9.160 1.00 0.00 H -ATOM 664 N ILE A 39 8.181 6.929 6.461 1.00 0.00 N -ATOM 665 CA ILE A 39 7.753 7.247 7.818 1.00 0.00 C -ATOM 666 C ILE A 39 7.661 5.959 8.624 1.00 0.00 C -ATOM 667 O ILE A 39 6.712 5.174 8.478 1.00 0.00 O -ATOM 668 CB ILE A 39 6.371 7.983 7.817 1.00 0.00 C -ATOM 669 CG1 ILE A 39 6.483 9.295 7.037 1.00 0.00 C -ATOM 670 CG2 ILE A 39 5.878 8.251 9.244 1.00 0.00 C -ATOM 671 CD1 ILE A 39 5.172 10.037 6.861 1.00 0.00 C -ATOM 672 H ILE A 39 7.516 6.804 5.752 1.00 0.00 H -ATOM 673 HA ILE A 39 8.498 7.889 8.263 1.00 0.00 H -ATOM 674 HB ILE A 39 5.652 7.347 7.324 1.00 0.00 H -ATOM 675 HG12 ILE A 39 7.154 9.955 7.567 1.00 0.00 H -ATOM 676 HG13 ILE A 39 6.887 9.091 6.056 1.00 0.00 H -ATOM 677 HG21 ILE A 39 6.580 8.896 9.749 1.00 0.00 H -ATOM 678 HG22 ILE A 39 5.801 7.316 9.777 1.00 0.00 H -ATOM 679 HG23 ILE A 39 4.909 8.729 9.207 1.00 0.00 H -ATOM 680 HD11 ILE A 39 4.767 10.297 7.827 1.00 0.00 H -ATOM 681 HD12 ILE A 39 4.477 9.404 6.330 1.00 0.00 H -ATOM 682 HD13 ILE A 39 5.354 10.933 6.286 1.00 0.00 H -ATOM 683 N GLU A 40 8.656 5.750 9.469 1.00 0.00 N -ATOM 684 CA GLU A 40 8.793 4.528 10.231 1.00 0.00 C -ATOM 685 C GLU A 40 7.687 4.311 11.260 1.00 0.00 C -ATOM 686 O GLU A 40 7.497 3.202 11.742 1.00 0.00 O -ATOM 687 CB GLU A 40 10.192 4.344 10.823 1.00 0.00 C -ATOM 688 CG GLU A 40 10.664 5.433 11.752 1.00 0.00 C -ATOM 689 CD GLU A 40 12.040 5.144 12.272 1.00 0.00 C -ATOM 690 OE1 GLU A 40 13.026 5.484 11.592 1.00 0.00 O -ATOM 691 OE2 GLU A 40 12.174 4.560 13.369 1.00 0.00 O -ATOM 692 H GLU A 40 9.318 6.462 9.591 1.00 0.00 H -ATOM 693 HA GLU A 40 8.651 3.759 9.486 1.00 0.00 H -ATOM 694 HB2 GLU A 40 10.210 3.418 11.376 1.00 0.00 H -ATOM 695 HB3 GLU A 40 10.896 4.273 10.007 1.00 0.00 H -ATOM 696 HG2 GLU A 40 10.683 6.370 11.215 1.00 0.00 H -ATOM 697 HG3 GLU A 40 9.982 5.506 12.588 1.00 0.00 H -ATOM 698 N ALA A 41 6.939 5.351 11.573 1.00 0.00 N -ATOM 699 CA ALA A 41 5.798 5.220 12.472 1.00 0.00 C -ATOM 700 C ALA A 41 4.725 4.318 11.833 1.00 0.00 C -ATOM 701 O ALA A 41 3.964 3.637 12.528 1.00 0.00 O -ATOM 702 CB ALA A 41 5.220 6.589 12.802 1.00 0.00 C -ATOM 703 H ALA A 41 7.188 6.232 11.215 1.00 0.00 H -ATOM 704 HA ALA A 41 6.149 4.754 13.382 1.00 0.00 H -ATOM 705 HB1 ALA A 41 5.988 7.206 13.245 1.00 0.00 H -ATOM 706 HB2 ALA A 41 4.401 6.477 13.497 1.00 0.00 H -ATOM 707 HB3 ALA A 41 4.861 7.057 11.897 1.00 0.00 H -ATOM 708 N ASN A 42 4.716 4.274 10.509 1.00 0.00 N -ATOM 709 CA ASN A 42 3.769 3.443 9.759 1.00 0.00 C -ATOM 710 C ASN A 42 4.452 2.198 9.219 1.00 0.00 C -ATOM 711 O ASN A 42 3.859 1.427 8.466 1.00 0.00 O -ATOM 712 CB ASN A 42 3.121 4.233 8.601 1.00 0.00 C -ATOM 713 CG ASN A 42 2.164 5.315 9.070 1.00 0.00 C -ATOM 714 OD1 ASN A 42 1.508 5.179 10.109 1.00 0.00 O -ATOM 715 ND2 ASN A 42 2.069 6.393 8.323 1.00 0.00 N -ATOM 716 H ASN A 42 5.375 4.805 10.008 1.00 0.00 H -ATOM 717 HA ASN A 42 2.994 3.136 10.446 1.00 0.00 H -ATOM 718 HB2 ASN A 42 3.902 4.704 8.021 1.00 0.00 H -ATOM 719 HB3 ASN A 42 2.580 3.544 7.968 1.00 0.00 H -ATOM 720 HD21 ASN A 42 2.612 6.444 7.508 1.00 0.00 H -ATOM 721 HD22 ASN A 42 1.469 7.120 8.601 1.00 0.00 H -ATOM 722 N LYS A 43 5.681 1.987 9.646 1.00 0.00 N -ATOM 723 CA LYS A 43 6.503 0.873 9.197 1.00 0.00 C -ATOM 724 C LYS A 43 6.044 -0.440 9.754 1.00 0.00 C -ATOM 725 O LYS A 43 5.440 -0.509 10.835 1.00 0.00 O -ATOM 726 CB LYS A 43 7.961 1.063 9.567 1.00 0.00 C -ATOM 727 CG LYS A 43 8.893 1.080 8.385 1.00 0.00 C -ATOM 728 CD LYS A 43 10.322 1.367 8.800 1.00 0.00 C -ATOM 729 CE LYS A 43 11.222 1.519 7.587 1.00 0.00 C -ATOM 730 NZ LYS A 43 11.622 0.246 6.985 1.00 0.00 N -ATOM 731 H LYS A 43 6.061 2.599 10.312 1.00 0.00 H -ATOM 732 HA LYS A 43 6.438 0.834 8.120 1.00 0.00 H -ATOM 733 HB2 LYS A 43 8.073 1.980 10.123 1.00 0.00 H -ATOM 734 HB3 LYS A 43 8.244 0.236 10.202 1.00 0.00 H -ATOM 735 HG2 LYS A 43 8.837 0.131 7.879 1.00 0.00 H -ATOM 736 HG3 LYS A 43 8.560 1.856 7.713 1.00 0.00 H -ATOM 737 HD2 LYS A 43 10.349 2.278 9.378 1.00 0.00 H -ATOM 738 HD3 LYS A 43 10.680 0.545 9.402 1.00 0.00 H -ATOM 739 HE2 LYS A 43 10.619 2.005 6.837 1.00 0.00 H -ATOM 740 HE3 LYS A 43 12.095 2.103 7.829 1.00 0.00 H -ATOM 741 HZ1 LYS A 43 12.107 0.450 6.079 1.00 0.00 H -ATOM 742 HZ2 LYS A 43 10.810 -0.384 6.841 1.00 0.00 H -ATOM 743 HZ3 LYS A 43 12.311 -0.223 7.610 1.00 0.00 H -ATOM 744 N LEU A 44 6.245 -1.455 8.981 1.00 0.00 N -ATOM 745 CA LEU A 44 6.030 -2.797 9.432 1.00 0.00 C -ATOM 746 C LEU A 44 7.334 -3.316 9.991 1.00 0.00 C -ATOM 747 O LEU A 44 8.376 -3.241 9.326 1.00 0.00 O -ATOM 748 CB LEU A 44 5.539 -3.698 8.306 1.00 0.00 C -ATOM 749 CG LEU A 44 4.117 -3.453 7.813 1.00 0.00 C -ATOM 750 CD1 LEU A 44 3.817 -4.330 6.627 1.00 0.00 C -ATOM 751 CD2 LEU A 44 3.127 -3.749 8.912 1.00 0.00 C -ATOM 752 H LEU A 44 6.584 -1.282 8.070 1.00 0.00 H -ATOM 753 HA LEU A 44 5.296 -2.763 10.222 1.00 0.00 H -ATOM 754 HB2 LEU A 44 6.208 -3.574 7.467 1.00 0.00 H -ATOM 755 HB3 LEU A 44 5.605 -4.720 8.650 1.00 0.00 H -ATOM 756 HG LEU A 44 4.003 -2.420 7.522 1.00 0.00 H -ATOM 757 HD11 LEU A 44 2.800 -4.146 6.314 1.00 0.00 H -ATOM 758 HD12 LEU A 44 3.933 -5.367 6.909 1.00 0.00 H -ATOM 759 HD13 LEU A 44 4.491 -4.092 5.819 1.00 0.00 H -ATOM 760 HD21 LEU A 44 2.131 -3.632 8.510 1.00 0.00 H -ATOM 761 HD22 LEU A 44 3.279 -3.068 9.735 1.00 0.00 H -ATOM 762 HD23 LEU A 44 3.260 -4.766 9.249 1.00 0.00 H -ATOM 763 N ARG A 45 7.286 -3.808 11.187 1.00 0.00 N -ATOM 764 CA ARG A 45 8.448 -4.290 11.881 1.00 0.00 C -ATOM 765 C ARG A 45 8.792 -5.693 11.432 1.00 0.00 C -ATOM 766 O ARG A 45 7.923 -6.577 11.386 1.00 0.00 O -ATOM 767 CB ARG A 45 8.197 -4.258 13.378 1.00 0.00 C -ATOM 768 CG ARG A 45 8.087 -2.857 13.957 1.00 0.00 C -ATOM 769 CD ARG A 45 7.566 -2.901 15.378 1.00 0.00 C -ATOM 770 NE ARG A 45 6.175 -3.375 15.410 1.00 0.00 N -ATOM 771 CZ ARG A 45 5.634 -4.153 16.352 1.00 0.00 C -ATOM 772 NH1 ARG A 45 6.367 -4.627 17.339 1.00 0.00 N -ATOM 773 NH2 ARG A 45 4.353 -4.465 16.289 1.00 0.00 N -ATOM 774 H ARG A 45 6.419 -3.888 11.636 1.00 0.00 H -ATOM 775 HA ARG A 45 9.275 -3.633 11.656 1.00 0.00 H -ATOM 776 HB2 ARG A 45 7.275 -4.782 13.586 1.00 0.00 H -ATOM 777 HB3 ARG A 45 9.007 -4.772 13.871 1.00 0.00 H -ATOM 778 HG2 ARG A 45 9.064 -2.396 13.957 1.00 0.00 H -ATOM 779 HG3 ARG A 45 7.408 -2.278 13.348 1.00 0.00 H -ATOM 780 HD2 ARG A 45 8.186 -3.569 15.956 1.00 0.00 H -ATOM 781 HD3 ARG A 45 7.607 -1.907 15.800 1.00 0.00 H -ATOM 782 HE ARG A 45 5.626 -3.049 14.662 1.00 0.00 H -ATOM 783 HH11 ARG A 45 7.348 -4.433 17.442 1.00 0.00 H -ATOM 784 HH12 ARG A 45 5.972 -5.228 18.041 1.00 0.00 H -ATOM 785 HH21 ARG A 45 3.752 -4.146 15.553 1.00 0.00 H -ATOM 786 HH22 ARG A 45 3.918 -5.044 16.985 1.00 0.00 H -ATOM 787 N GLY A 46 10.040 -5.884 11.063 1.00 0.00 N -ATOM 788 CA GLY A 46 10.503 -7.178 10.635 1.00 0.00 C -ATOM 789 C GLY A 46 10.303 -7.369 9.154 1.00 0.00 C -ATOM 790 O GLY A 46 10.454 -8.474 8.623 1.00 0.00 O -ATOM 791 H GLY A 46 10.662 -5.124 11.066 1.00 0.00 H -ATOM 792 HA2 GLY A 46 11.551 -7.275 10.872 1.00 0.00 H -ATOM 793 HA3 GLY A 46 9.948 -7.941 11.160 1.00 0.00 H -ATOM 794 N MET A 47 9.980 -6.299 8.491 1.00 0.00 N -ATOM 795 CA MET A 47 9.705 -6.308 7.077 1.00 0.00 C -ATOM 796 C MET A 47 10.635 -5.319 6.415 1.00 0.00 C -ATOM 797 O MET A 47 10.907 -4.277 6.993 1.00 0.00 O -ATOM 798 CB MET A 47 8.250 -5.884 6.844 1.00 0.00 C -ATOM 799 CG MET A 47 7.212 -6.816 7.463 1.00 0.00 C -ATOM 800 SD MET A 47 7.105 -8.413 6.634 1.00 0.00 S -ATOM 801 CE MET A 47 6.422 -7.899 5.058 1.00 0.00 C -ATOM 802 H MET A 47 9.946 -5.443 8.972 1.00 0.00 H -ATOM 803 HA MET A 47 9.858 -7.303 6.687 1.00 0.00 H -ATOM 804 HB2 MET A 47 8.111 -4.900 7.267 1.00 0.00 H -ATOM 805 HB3 MET A 47 8.073 -5.828 5.781 1.00 0.00 H -ATOM 806 HG2 MET A 47 7.471 -6.985 8.497 1.00 0.00 H -ATOM 807 HG3 MET A 47 6.244 -6.339 7.414 1.00 0.00 H -ATOM 808 HE1 MET A 47 7.094 -7.225 4.549 1.00 0.00 H -ATOM 809 HE2 MET A 47 5.476 -7.407 5.233 1.00 0.00 H -ATOM 810 HE3 MET A 47 6.241 -8.768 4.442 1.00 0.00 H -ATOM 811 N PRO A 48 11.170 -5.618 5.239 1.00 0.00 N -ATOM 812 CA PRO A 48 12.035 -4.686 4.541 1.00 0.00 C -ATOM 813 C PRO A 48 11.243 -3.567 3.870 1.00 0.00 C -ATOM 814 O PRO A 48 10.593 -3.769 2.835 1.00 0.00 O -ATOM 815 CB PRO A 48 12.773 -5.546 3.521 1.00 0.00 C -ATOM 816 CG PRO A 48 11.872 -6.712 3.271 1.00 0.00 C -ATOM 817 CD PRO A 48 11.014 -6.888 4.505 1.00 0.00 C -ATOM 818 HA PRO A 48 12.735 -4.217 5.217 1.00 0.00 H -ATOM 819 HB2 PRO A 48 12.943 -4.973 2.621 1.00 0.00 H -ATOM 820 HB3 PRO A 48 13.718 -5.864 3.932 1.00 0.00 H -ATOM 821 HG2 PRO A 48 11.249 -6.510 2.412 1.00 0.00 H -ATOM 822 HG3 PRO A 48 12.468 -7.595 3.098 1.00 0.00 H -ATOM 823 HD2 PRO A 48 9.980 -7.045 4.233 1.00 0.00 H -ATOM 824 HD3 PRO A 48 11.376 -7.717 5.096 1.00 0.00 H -ATOM 825 N ASP A 49 11.256 -2.420 4.527 1.00 0.00 N -ATOM 826 CA ASP A 49 10.606 -1.177 4.077 1.00 0.00 C -ATOM 827 C ASP A 49 9.191 -1.364 3.613 1.00 0.00 C -ATOM 828 O ASP A 49 8.832 -1.015 2.485 1.00 0.00 O -ATOM 829 CB ASP A 49 11.441 -0.397 3.057 1.00 0.00 C -ATOM 830 CG ASP A 49 12.730 0.086 3.656 1.00 0.00 C -ATOM 831 OD1 ASP A 49 12.697 1.004 4.513 1.00 0.00 O -ATOM 832 OD2 ASP A 49 13.796 -0.491 3.351 1.00 0.00 O -ATOM 833 H ASP A 49 11.754 -2.430 5.373 1.00 0.00 H -ATOM 834 HA ASP A 49 10.533 -0.568 4.967 1.00 0.00 H -ATOM 835 HB2 ASP A 49 11.655 -1.038 2.213 1.00 0.00 H -ATOM 836 HB3 ASP A 49 10.877 0.458 2.714 1.00 0.00 H -ATOM 837 N CYS A 50 8.400 -1.931 4.467 1.00 0.00 N -ATOM 838 CA CYS A 50 7.020 -2.109 4.187 1.00 0.00 C -ATOM 839 C CYS A 50 6.266 -1.227 5.154 1.00 0.00 C -ATOM 840 O CYS A 50 6.682 -1.079 6.310 1.00 0.00 O -ATOM 841 CB CYS A 50 6.638 -3.577 4.354 1.00 0.00 C -ATOM 842 SG CYS A 50 7.654 -4.721 3.377 1.00 0.00 S -ATOM 843 H CYS A 50 8.735 -2.213 5.345 1.00 0.00 H -ATOM 844 HA CYS A 50 6.825 -1.786 3.177 1.00 0.00 H -ATOM 845 HB2 CYS A 50 6.741 -3.854 5.392 1.00 0.00 H -ATOM 846 HB3 CYS A 50 5.611 -3.708 4.047 1.00 0.00 H -ATOM 847 HG CYS A 50 8.741 -4.072 2.969 1.00 0.00 H -ATOM 848 N TYR A 51 5.215 -0.622 4.701 1.00 0.00 N -ATOM 849 CA TYR A 51 4.465 0.320 5.503 1.00 0.00 C -ATOM 850 C TYR A 51 3.000 0.039 5.302 1.00 0.00 C -ATOM 851 O TYR A 51 2.627 -0.609 4.308 1.00 0.00 O -ATOM 852 CB TYR A 51 4.764 1.777 5.059 1.00 0.00 C -ATOM 853 CG TYR A 51 6.235 2.187 5.076 1.00 0.00 C -ATOM 854 CD1 TYR A 51 7.104 1.777 4.070 1.00 0.00 C -ATOM 855 CD2 TYR A 51 6.747 2.976 6.086 1.00 0.00 C -ATOM 856 CE1 TYR A 51 8.433 2.136 4.076 1.00 0.00 C -ATOM 857 CE2 TYR A 51 8.084 3.340 6.096 1.00 0.00 C -ATOM 858 CZ TYR A 51 8.918 2.914 5.085 1.00 0.00 C -ATOM 859 OH TYR A 51 10.254 3.261 5.099 1.00 0.00 O -ATOM 860 H TYR A 51 4.902 -0.806 3.785 1.00 0.00 H -ATOM 861 HA TYR A 51 4.731 0.199 6.543 1.00 0.00 H -ATOM 862 HB2 TYR A 51 4.405 1.911 4.050 1.00 0.00 H -ATOM 863 HB3 TYR A 51 4.222 2.452 5.707 1.00 0.00 H -ATOM 864 HD1 TYR A 51 6.721 1.161 3.270 1.00 0.00 H -ATOM 865 HD2 TYR A 51 6.093 3.307 6.880 1.00 0.00 H -ATOM 866 HE1 TYR A 51 9.086 1.803 3.282 1.00 0.00 H -ATOM 867 HE2 TYR A 51 8.467 3.958 6.895 1.00 0.00 H -ATOM 868 HH TYR A 51 10.544 3.463 4.203 1.00 0.00 H -ATOM 869 N LYS A 52 2.174 0.490 6.208 1.00 0.00 N -ATOM 870 CA LYS A 52 0.762 0.295 6.056 1.00 0.00 C -ATOM 871 C LYS A 52 0.010 1.584 6.317 1.00 0.00 C -ATOM 872 O LYS A 52 0.358 2.361 7.216 1.00 0.00 O -ATOM 873 CB LYS A 52 0.189 -0.841 6.956 1.00 0.00 C -ATOM 874 CG LYS A 52 0.136 -0.553 8.467 1.00 0.00 C -ATOM 875 CD LYS A 52 1.486 -0.667 9.153 1.00 0.00 C -ATOM 876 CE LYS A 52 1.383 -0.235 10.600 1.00 0.00 C -ATOM 877 NZ LYS A 52 2.582 -0.583 11.401 1.00 0.00 N -ATOM 878 H LYS A 52 2.513 0.988 6.984 1.00 0.00 H -ATOM 879 HA LYS A 52 0.596 0.025 5.023 1.00 0.00 H -ATOM 880 HB2 LYS A 52 -0.818 -1.062 6.631 1.00 0.00 H -ATOM 881 HB3 LYS A 52 0.791 -1.725 6.804 1.00 0.00 H -ATOM 882 HG2 LYS A 52 -0.230 0.452 8.612 1.00 0.00 H -ATOM 883 HG3 LYS A 52 -0.553 -1.248 8.925 1.00 0.00 H -ATOM 884 HD2 LYS A 52 1.813 -1.695 9.112 1.00 0.00 H -ATOM 885 HD3 LYS A 52 2.198 -0.036 8.642 1.00 0.00 H -ATOM 886 HE2 LYS A 52 1.276 0.837 10.603 1.00 0.00 H -ATOM 887 HE3 LYS A 52 0.508 -0.686 11.043 1.00 0.00 H -ATOM 888 HZ1 LYS A 52 2.644 -1.618 11.502 1.00 0.00 H -ATOM 889 HZ2 LYS A 52 2.474 -0.191 12.359 1.00 0.00 H -ATOM 890 HZ3 LYS A 52 3.476 -0.230 11.002 1.00 0.00 H -ATOM 891 N ILE A 53 -0.986 1.805 5.526 1.00 0.00 N -ATOM 892 CA ILE A 53 -1.885 2.904 5.691 1.00 0.00 C -ATOM 893 C ILE A 53 -3.213 2.327 6.116 1.00 0.00 C -ATOM 894 O ILE A 53 -3.618 1.265 5.632 1.00 0.00 O -ATOM 895 CB ILE A 53 -2.040 3.740 4.378 1.00 0.00 C -ATOM 896 CG1 ILE A 53 -0.701 4.404 4.019 1.00 0.00 C -ATOM 897 CG2 ILE A 53 -3.156 4.792 4.501 1.00 0.00 C -ATOM 898 CD1 ILE A 53 -0.738 5.244 2.763 1.00 0.00 C -ATOM 899 H ILE A 53 -1.142 1.178 4.783 1.00 0.00 H -ATOM 900 HA ILE A 53 -1.505 3.535 6.482 1.00 0.00 H -ATOM 901 HB ILE A 53 -2.311 3.061 3.583 1.00 0.00 H -ATOM 902 HG12 ILE A 53 -0.402 5.047 4.833 1.00 0.00 H -ATOM 903 HG13 ILE A 53 0.046 3.634 3.888 1.00 0.00 H -ATOM 904 HG21 ILE A 53 -4.093 4.302 4.722 1.00 0.00 H -ATOM 905 HG22 ILE A 53 -3.248 5.332 3.571 1.00 0.00 H -ATOM 906 HG23 ILE A 53 -2.918 5.487 5.293 1.00 0.00 H -ATOM 907 HD11 ILE A 53 0.241 5.656 2.571 1.00 0.00 H -ATOM 908 HD12 ILE A 53 -1.446 6.047 2.895 1.00 0.00 H -ATOM 909 HD13 ILE A 53 -1.047 4.626 1.933 1.00 0.00 H -ATOM 910 N LYS A 54 -3.866 2.988 7.016 1.00 0.00 N -ATOM 911 CA LYS A 54 -5.110 2.520 7.533 1.00 0.00 C -ATOM 912 C LYS A 54 -6.155 3.596 7.407 1.00 0.00 C -ATOM 913 O LYS A 54 -5.892 4.786 7.688 1.00 0.00 O -ATOM 914 CB LYS A 54 -5.014 1.952 8.988 1.00 0.00 C -ATOM 915 CG LYS A 54 -4.497 2.909 10.063 1.00 0.00 C -ATOM 916 CD LYS A 54 -3.017 3.204 9.904 1.00 0.00 C -ATOM 917 CE LYS A 54 -2.576 4.288 10.836 1.00 0.00 C -ATOM 918 NZ LYS A 54 -2.546 3.839 12.239 1.00 0.00 N -ATOM 919 H LYS A 54 -3.530 3.860 7.308 1.00 0.00 H -ATOM 920 HA LYS A 54 -5.395 1.719 6.872 1.00 0.00 H -ATOM 921 HB2 LYS A 54 -5.998 1.630 9.292 1.00 0.00 H -ATOM 922 HB3 LYS A 54 -4.368 1.086 8.969 1.00 0.00 H -ATOM 923 HG2 LYS A 54 -5.045 3.835 9.988 1.00 0.00 H -ATOM 924 HG3 LYS A 54 -4.670 2.468 11.034 1.00 0.00 H -ATOM 925 HD2 LYS A 54 -2.459 2.310 10.140 1.00 0.00 H -ATOM 926 HD3 LYS A 54 -2.796 3.496 8.889 1.00 0.00 H -ATOM 927 HE2 LYS A 54 -1.607 4.632 10.515 1.00 0.00 H -ATOM 928 HE3 LYS A 54 -3.307 5.075 10.715 1.00 0.00 H -ATOM 929 HZ1 LYS A 54 -1.906 3.028 12.351 1.00 0.00 H -ATOM 930 HZ2 LYS A 54 -3.491 3.552 12.566 1.00 0.00 H -ATOM 931 HZ3 LYS A 54 -2.217 4.597 12.871 1.00 0.00 H -ATOM 932 N LEU A 55 -7.284 3.199 6.925 1.00 0.00 N -ATOM 933 CA LEU A 55 -8.404 4.065 6.702 1.00 0.00 C -ATOM 934 C LEU A 55 -9.241 3.997 7.983 1.00 0.00 C -ATOM 935 O LEU A 55 -9.413 2.913 8.542 1.00 0.00 O -ATOM 936 CB LEU A 55 -9.167 3.509 5.463 1.00 0.00 C -ATOM 937 CG LEU A 55 -9.949 4.479 4.551 1.00 0.00 C -ATOM 938 CD1 LEU A 55 -11.170 5.059 5.211 1.00 0.00 C -ATOM 939 CD2 LEU A 55 -9.041 5.580 4.052 1.00 0.00 C -ATOM 940 H LEU A 55 -7.394 2.246 6.703 1.00 0.00 H -ATOM 941 HA LEU A 55 -8.048 5.067 6.516 1.00 0.00 H -ATOM 942 HB2 LEU A 55 -8.446 3.003 4.841 1.00 0.00 H -ATOM 943 HB3 LEU A 55 -9.861 2.766 5.829 1.00 0.00 H -ATOM 944 HG LEU A 55 -10.289 3.930 3.684 1.00 0.00 H -ATOM 945 HD11 LEU A 55 -10.886 5.543 6.132 1.00 0.00 H -ATOM 946 HD12 LEU A 55 -11.883 4.273 5.410 1.00 0.00 H -ATOM 947 HD13 LEU A 55 -11.609 5.786 4.542 1.00 0.00 H -ATOM 948 HD21 LEU A 55 -9.600 6.216 3.383 1.00 0.00 H -ATOM 949 HD22 LEU A 55 -8.207 5.138 3.528 1.00 0.00 H -ATOM 950 HD23 LEU A 55 -8.681 6.162 4.887 1.00 0.00 H -ATOM 951 N ARG A 56 -9.710 5.127 8.480 1.00 0.00 N -ATOM 952 CA ARG A 56 -10.428 5.118 9.756 1.00 0.00 C -ATOM 953 C ARG A 56 -11.926 5.321 9.591 1.00 0.00 C -ATOM 954 O ARG A 56 -12.700 5.056 10.498 1.00 0.00 O -ATOM 955 CB ARG A 56 -9.813 6.113 10.759 1.00 0.00 C -ATOM 956 CG ARG A 56 -9.766 7.557 10.283 1.00 0.00 C -ATOM 957 CD ARG A 56 -9.012 8.442 11.264 1.00 0.00 C -ATOM 958 NE ARG A 56 -7.623 7.976 11.461 1.00 0.00 N -ATOM 959 CZ ARG A 56 -6.525 8.752 11.430 1.00 0.00 C -ATOM 960 NH1 ARG A 56 -6.621 10.067 11.204 1.00 0.00 N -ATOM 961 NH2 ARG A 56 -5.337 8.205 11.635 1.00 0.00 N -ATOM 962 H ARG A 56 -9.575 5.969 7.993 1.00 0.00 H -ATOM 963 HA ARG A 56 -10.299 4.121 10.152 1.00 0.00 H -ATOM 964 HB2 ARG A 56 -10.394 6.084 11.669 1.00 0.00 H -ATOM 965 HB3 ARG A 56 -8.805 5.794 10.982 1.00 0.00 H -ATOM 966 HG2 ARG A 56 -9.256 7.590 9.332 1.00 0.00 H -ATOM 967 HG3 ARG A 56 -10.773 7.930 10.172 1.00 0.00 H -ATOM 968 HD2 ARG A 56 -8.995 9.451 10.882 1.00 0.00 H -ATOM 969 HD3 ARG A 56 -9.521 8.426 12.215 1.00 0.00 H -ATOM 970 HE ARG A 56 -7.537 7.013 11.638 1.00 0.00 H -ATOM 971 HH11 ARG A 56 -7.503 10.520 11.053 1.00 0.00 H -ATOM 972 HH12 ARG A 56 -5.826 10.680 11.169 1.00 0.00 H -ATOM 973 HH21 ARG A 56 -5.233 7.224 11.818 1.00 0.00 H -ATOM 974 HH22 ARG A 56 -4.485 8.736 11.622 1.00 0.00 H -ATOM 975 N SER A 57 -12.332 5.782 8.433 1.00 0.00 N -ATOM 976 CA SER A 57 -13.744 5.954 8.146 1.00 0.00 C -ATOM 977 C SER A 57 -14.373 4.591 7.811 1.00 0.00 C -ATOM 978 O SER A 57 -15.553 4.356 8.052 1.00 0.00 O -ATOM 979 CB SER A 57 -13.899 6.924 6.986 1.00 0.00 C -ATOM 980 OG SER A 57 -13.159 8.112 7.245 1.00 0.00 O -ATOM 981 H SER A 57 -11.668 6.045 7.765 1.00 0.00 H -ATOM 982 HA SER A 57 -14.223 6.361 9.023 1.00 0.00 H -ATOM 983 HB2 SER A 57 -13.529 6.468 6.078 1.00 0.00 H -ATOM 984 HB3 SER A 57 -14.940 7.181 6.869 1.00 0.00 H -ATOM 985 HG SER A 57 -13.369 8.372 8.154 1.00 0.00 H -ATOM 986 N SER A 58 -13.555 3.712 7.292 1.00 0.00 N -ATOM 987 CA SER A 58 -13.924 2.365 6.936 1.00 0.00 C -ATOM 988 C SER A 58 -12.711 1.514 7.252 1.00 0.00 C -ATOM 989 O SER A 58 -11.595 1.973 7.023 1.00 0.00 O -ATOM 990 CB SER A 58 -14.234 2.282 5.432 1.00 0.00 C -ATOM 991 OG SER A 58 -15.232 3.223 5.046 1.00 0.00 O -ATOM 992 H SER A 58 -12.614 3.943 7.150 1.00 0.00 H -ATOM 993 HA SER A 58 -14.778 2.054 7.521 1.00 0.00 H -ATOM 994 HB2 SER A 58 -13.335 2.486 4.872 1.00 0.00 H -ATOM 995 HB3 SER A 58 -14.586 1.289 5.197 1.00 0.00 H -ATOM 996 HG SER A 58 -15.747 2.794 4.350 1.00 0.00 H -ATOM 997 N GLY A 59 -12.904 0.323 7.788 1.00 0.00 N -ATOM 998 CA GLY A 59 -11.784 -0.519 8.176 1.00 0.00 C -ATOM 999 C GLY A 59 -11.035 -1.130 6.996 1.00 0.00 C -ATOM 1000 O GLY A 59 -11.176 -2.326 6.706 1.00 0.00 O -ATOM 1001 H GLY A 59 -13.815 -0.010 7.941 1.00 0.00 H -ATOM 1002 HA2 GLY A 59 -11.089 0.080 8.745 1.00 0.00 H -ATOM 1003 HA3 GLY A 59 -12.152 -1.315 8.807 1.00 0.00 H -ATOM 1004 N TYR A 60 -10.260 -0.327 6.320 1.00 0.00 N -ATOM 1005 CA TYR A 60 -9.450 -0.769 5.215 1.00 0.00 C -ATOM 1006 C TYR A 60 -8.007 -0.421 5.453 1.00 0.00 C -ATOM 1007 O TYR A 60 -7.695 0.619 6.014 1.00 0.00 O -ATOM 1008 CB TYR A 60 -9.938 -0.195 3.885 1.00 0.00 C -ATOM 1009 CG TYR A 60 -11.169 -0.880 3.335 1.00 0.00 C -ATOM 1010 CD1 TYR A 60 -12.450 -0.529 3.746 1.00 0.00 C -ATOM 1011 CD2 TYR A 60 -11.040 -1.881 2.393 1.00 0.00 C -ATOM 1012 CE1 TYR A 60 -13.562 -1.166 3.225 1.00 0.00 C -ATOM 1013 CE2 TYR A 60 -12.138 -2.520 1.871 1.00 0.00 C -ATOM 1014 CZ TYR A 60 -13.395 -2.162 2.287 1.00 0.00 C -ATOM 1015 OH TYR A 60 -14.489 -2.805 1.761 1.00 0.00 O -ATOM 1016 H TYR A 60 -10.229 0.624 6.574 1.00 0.00 H -ATOM 1017 HA TYR A 60 -9.530 -1.846 5.177 1.00 0.00 H -ATOM 1018 HB2 TYR A 60 -10.175 0.851 4.021 1.00 0.00 H -ATOM 1019 HB3 TYR A 60 -9.149 -0.286 3.154 1.00 0.00 H -ATOM 1020 HD1 TYR A 60 -12.572 0.251 4.482 1.00 0.00 H -ATOM 1021 HD2 TYR A 60 -10.049 -2.161 2.068 1.00 0.00 H -ATOM 1022 HE1 TYR A 60 -14.551 -0.885 3.554 1.00 0.00 H -ATOM 1023 HE2 TYR A 60 -12.008 -3.300 1.135 1.00 0.00 H -ATOM 1024 HH TYR A 60 -14.288 -3.749 1.749 1.00 0.00 H -ATOM 1025 N ARG A 61 -7.144 -1.313 5.073 1.00 0.00 N -ATOM 1026 CA ARG A 61 -5.730 -1.155 5.245 1.00 0.00 C -ATOM 1027 C ARG A 61 -5.071 -1.355 3.904 1.00 0.00 C -ATOM 1028 O ARG A 61 -5.578 -2.106 3.057 1.00 0.00 O -ATOM 1029 CB ARG A 61 -5.134 -2.182 6.247 1.00 0.00 C -ATOM 1030 CG ARG A 61 -5.613 -2.106 7.710 1.00 0.00 C -ATOM 1031 CD ARG A 61 -7.063 -2.551 7.891 1.00 0.00 C -ATOM 1032 NE ARG A 61 -7.433 -2.651 9.301 1.00 0.00 N -ATOM 1033 CZ ARG A 61 -8.594 -3.116 9.775 1.00 0.00 C -ATOM 1034 NH1 ARG A 61 -9.609 -3.388 8.945 1.00 0.00 N -ATOM 1035 NH2 ARG A 61 -8.754 -3.277 11.085 1.00 0.00 N -ATOM 1036 H ARG A 61 -7.447 -2.124 4.606 1.00 0.00 H -ATOM 1037 HA ARG A 61 -5.534 -0.155 5.600 1.00 0.00 H -ATOM 1038 HB2 ARG A 61 -5.367 -3.174 5.889 1.00 0.00 H -ATOM 1039 HB3 ARG A 61 -4.060 -2.073 6.238 1.00 0.00 H -ATOM 1040 HG2 ARG A 61 -4.988 -2.749 8.312 1.00 0.00 H -ATOM 1041 HG3 ARG A 61 -5.512 -1.088 8.057 1.00 0.00 H -ATOM 1042 HD2 ARG A 61 -7.708 -1.830 7.411 1.00 0.00 H -ATOM 1043 HD3 ARG A 61 -7.197 -3.515 7.423 1.00 0.00 H -ATOM 1044 HE ARG A 61 -6.712 -2.383 9.921 1.00 0.00 H -ATOM 1045 HH11 ARG A 61 -9.554 -3.248 7.955 1.00 0.00 H -ATOM 1046 HH12 ARG A 61 -10.477 -3.756 9.289 1.00 0.00 H -ATOM 1047 HH21 ARG A 61 -8.027 -3.060 11.744 1.00 0.00 H -ATOM 1048 HH22 ARG A 61 -9.601 -3.637 11.484 1.00 0.00 H -ATOM 1049 N LEU A 62 -3.986 -0.698 3.702 1.00 0.00 N -ATOM 1050 CA LEU A 62 -3.237 -0.817 2.492 1.00 0.00 C -ATOM 1051 C LEU A 62 -1.775 -0.999 2.876 1.00 0.00 C -ATOM 1052 O LEU A 62 -1.230 -0.199 3.631 1.00 0.00 O -ATOM 1053 CB LEU A 62 -3.490 0.442 1.619 1.00 0.00 C -ATOM 1054 CG LEU A 62 -2.898 0.474 0.195 1.00 0.00 C -ATOM 1055 CD1 LEU A 62 -3.582 1.548 -0.626 1.00 0.00 C -ATOM 1056 CD2 LEU A 62 -1.418 0.772 0.228 1.00 0.00 C -ATOM 1057 H LEU A 62 -3.657 -0.085 4.400 1.00 0.00 H -ATOM 1058 HA LEU A 62 -3.577 -1.698 1.968 1.00 0.00 H -ATOM 1059 HB2 LEU A 62 -4.558 0.565 1.529 1.00 0.00 H -ATOM 1060 HB3 LEU A 62 -3.109 1.297 2.159 1.00 0.00 H -ATOM 1061 HG LEU A 62 -3.050 -0.480 -0.285 1.00 0.00 H -ATOM 1062 HD11 LEU A 62 -3.445 2.507 -0.148 1.00 0.00 H -ATOM 1063 HD12 LEU A 62 -4.636 1.329 -0.711 1.00 0.00 H -ATOM 1064 HD13 LEU A 62 -3.135 1.569 -1.609 1.00 0.00 H -ATOM 1065 HD21 LEU A 62 -1.040 0.819 -0.781 1.00 0.00 H -ATOM 1066 HD22 LEU A 62 -0.908 -0.010 0.772 1.00 0.00 H -ATOM 1067 HD23 LEU A 62 -1.261 1.720 0.720 1.00 0.00 H -ATOM 1068 N VAL A 63 -1.166 -2.057 2.390 1.00 0.00 N -ATOM 1069 CA VAL A 63 0.210 -2.382 2.724 1.00 0.00 C -ATOM 1070 C VAL A 63 1.070 -2.317 1.474 1.00 0.00 C -ATOM 1071 O VAL A 63 0.731 -2.922 0.434 1.00 0.00 O -ATOM 1072 CB VAL A 63 0.323 -3.793 3.380 1.00 0.00 C -ATOM 1073 CG1 VAL A 63 1.770 -4.145 3.701 1.00 0.00 C -ATOM 1074 CG2 VAL A 63 -0.513 -3.854 4.645 1.00 0.00 C -ATOM 1075 H VAL A 63 -1.635 -2.640 1.751 1.00 0.00 H -ATOM 1076 HA VAL A 63 0.564 -1.640 3.424 1.00 0.00 H -ATOM 1077 HB VAL A 63 -0.063 -4.526 2.685 1.00 0.00 H -ATOM 1078 HG11 VAL A 63 1.810 -5.124 4.157 1.00 0.00 H -ATOM 1079 HG12 VAL A 63 2.172 -3.417 4.391 1.00 0.00 H -ATOM 1080 HG13 VAL A 63 2.354 -4.145 2.793 1.00 0.00 H -ATOM 1081 HG21 VAL A 63 -0.421 -4.833 5.091 1.00 0.00 H -ATOM 1082 HG22 VAL A 63 -1.548 -3.665 4.401 1.00 0.00 H -ATOM 1083 HG23 VAL A 63 -0.168 -3.107 5.343 1.00 0.00 H -ATOM 1084 N TYR A 64 2.159 -1.601 1.560 1.00 0.00 N -ATOM 1085 CA TYR A 64 3.028 -1.408 0.434 1.00 0.00 C -ATOM 1086 C TYR A 64 4.485 -1.499 0.833 1.00 0.00 C -ATOM 1087 O TYR A 64 4.823 -1.349 2.012 1.00 0.00 O -ATOM 1088 CB TYR A 64 2.737 -0.060 -0.262 1.00 0.00 C -ATOM 1089 CG TYR A 64 2.855 1.197 0.600 1.00 0.00 C -ATOM 1090 CD1 TYR A 64 4.075 1.628 1.116 1.00 0.00 C -ATOM 1091 CD2 TYR A 64 1.742 1.963 0.865 1.00 0.00 C -ATOM 1092 CE1 TYR A 64 4.165 2.777 1.866 1.00 0.00 C -ATOM 1093 CE2 TYR A 64 1.824 3.113 1.608 1.00 0.00 C -ATOM 1094 CZ TYR A 64 3.037 3.516 2.110 1.00 0.00 C -ATOM 1095 OH TYR A 64 3.120 4.665 2.856 1.00 0.00 O -ATOM 1096 H TYR A 64 2.405 -1.200 2.426 1.00 0.00 H -ATOM 1097 HA TYR A 64 2.820 -2.198 -0.272 1.00 0.00 H -ATOM 1098 HB2 TYR A 64 3.392 0.067 -1.110 1.00 0.00 H -ATOM 1099 HB3 TYR A 64 1.722 -0.095 -0.630 1.00 0.00 H -ATOM 1100 HD1 TYR A 64 4.962 1.043 0.920 1.00 0.00 H -ATOM 1101 HD2 TYR A 64 0.788 1.644 0.474 1.00 0.00 H -ATOM 1102 HE1 TYR A 64 5.121 3.092 2.258 1.00 0.00 H -ATOM 1103 HE2 TYR A 64 0.930 3.691 1.789 1.00 0.00 H -ATOM 1104 HH TYR A 64 3.896 5.159 2.586 1.00 0.00 H -ATOM 1105 N GLN A 65 5.328 -1.767 -0.126 1.00 0.00 N -ATOM 1106 CA GLN A 65 6.749 -1.741 0.082 1.00 0.00 C -ATOM 1107 C GLN A 65 7.294 -0.531 -0.655 1.00 0.00 C -ATOM 1108 O GLN A 65 6.802 -0.179 -1.737 1.00 0.00 O -ATOM 1109 CB GLN A 65 7.446 -3.030 -0.418 1.00 0.00 C -ATOM 1110 CG GLN A 65 7.358 -3.263 -1.930 1.00 0.00 C -ATOM 1111 CD GLN A 65 8.139 -4.482 -2.412 1.00 0.00 C -ATOM 1112 OE1 GLN A 65 7.769 -5.115 -3.407 1.00 0.00 O -ATOM 1113 NE2 GLN A 65 9.220 -4.811 -1.744 1.00 0.00 N -ATOM 1114 H GLN A 65 4.985 -1.961 -1.029 1.00 0.00 H -ATOM 1115 HA GLN A 65 6.925 -1.610 1.139 1.00 0.00 H -ATOM 1116 HB2 GLN A 65 8.492 -2.972 -0.153 1.00 0.00 H -ATOM 1117 HB3 GLN A 65 7.007 -3.878 0.086 1.00 0.00 H -ATOM 1118 HG2 GLN A 65 6.321 -3.396 -2.198 1.00 0.00 H -ATOM 1119 HG3 GLN A 65 7.744 -2.386 -2.430 1.00 0.00 H -ATOM 1120 HE21 GLN A 65 9.494 -4.273 -0.971 1.00 0.00 H -ATOM 1121 HE22 GLN A 65 9.736 -5.590 -2.047 1.00 0.00 H -ATOM 1122 N VAL A 66 8.232 0.136 -0.081 1.00 0.00 N -ATOM 1123 CA VAL A 66 8.825 1.259 -0.747 1.00 0.00 C -ATOM 1124 C VAL A 66 10.106 0.815 -1.391 1.00 0.00 C -ATOM 1125 O VAL A 66 11.067 0.453 -0.707 1.00 0.00 O -ATOM 1126 CB VAL A 66 9.080 2.464 0.206 1.00 0.00 C -ATOM 1127 CG1 VAL A 66 9.777 3.610 -0.531 1.00 0.00 C -ATOM 1128 CG2 VAL A 66 7.769 2.953 0.785 1.00 0.00 C -ATOM 1129 H VAL A 66 8.561 -0.146 0.803 1.00 0.00 H -ATOM 1130 HA VAL A 66 8.143 1.564 -1.528 1.00 0.00 H -ATOM 1131 HB VAL A 66 9.713 2.137 1.018 1.00 0.00 H -ATOM 1132 HG11 VAL A 66 9.158 3.939 -1.352 1.00 0.00 H -ATOM 1133 HG12 VAL A 66 10.726 3.266 -0.912 1.00 0.00 H -ATOM 1134 HG13 VAL A 66 9.938 4.432 0.152 1.00 0.00 H -ATOM 1135 HG21 VAL A 66 7.291 2.143 1.316 1.00 0.00 H -ATOM 1136 HG22 VAL A 66 7.122 3.296 -0.008 1.00 0.00 H -ATOM 1137 HG23 VAL A 66 7.963 3.763 1.472 1.00 0.00 H -ATOM 1138 N ILE A 67 10.120 0.804 -2.691 1.00 0.00 N -ATOM 1139 CA ILE A 67 11.279 0.399 -3.401 1.00 0.00 C -ATOM 1140 C ILE A 67 12.116 1.633 -3.669 1.00 0.00 C -ATOM 1141 O ILE A 67 11.866 2.376 -4.627 1.00 0.00 O -ATOM 1142 CB ILE A 67 10.937 -0.298 -4.743 1.00 0.00 C -ATOM 1143 CG1 ILE A 67 9.879 -1.400 -4.531 1.00 0.00 C -ATOM 1144 CG2 ILE A 67 12.207 -0.898 -5.338 1.00 0.00 C -ATOM 1145 CD1 ILE A 67 9.441 -2.099 -5.808 1.00 0.00 C -ATOM 1146 H ILE A 67 9.332 1.101 -3.201 1.00 0.00 H -ATOM 1147 HA ILE A 67 11.834 -0.284 -2.776 1.00 0.00 H -ATOM 1148 HB ILE A 67 10.551 0.442 -5.428 1.00 0.00 H -ATOM 1149 HG12 ILE A 67 10.275 -2.152 -3.867 1.00 0.00 H -ATOM 1150 HG13 ILE A 67 9.003 -0.959 -4.078 1.00 0.00 H -ATOM 1151 HG21 ILE A 67 12.628 -1.608 -4.642 1.00 0.00 H -ATOM 1152 HG22 ILE A 67 12.922 -0.113 -5.531 1.00 0.00 H -ATOM 1153 HG23 ILE A 67 11.970 -1.402 -6.263 1.00 0.00 H -ATOM 1154 HD11 ILE A 67 10.299 -2.553 -6.280 1.00 0.00 H -ATOM 1155 HD12 ILE A 67 9.001 -1.377 -6.480 1.00 0.00 H -ATOM 1156 HD13 ILE A 67 8.713 -2.860 -5.570 1.00 0.00 H -ATOM 1157 N ASP A 68 13.082 1.864 -2.804 1.00 0.00 N -ATOM 1158 CA ASP A 68 13.980 3.021 -2.889 1.00 0.00 C -ATOM 1159 C ASP A 68 14.835 2.952 -4.150 1.00 0.00 C -ATOM 1160 O ASP A 68 15.163 3.966 -4.757 1.00 0.00 O -ATOM 1161 CB ASP A 68 14.849 3.092 -1.618 1.00 0.00 C -ATOM 1162 CG ASP A 68 15.953 4.134 -1.668 1.00 0.00 C -ATOM 1163 OD1 ASP A 68 15.667 5.336 -1.668 1.00 0.00 O -ATOM 1164 OD2 ASP A 68 17.146 3.750 -1.663 1.00 0.00 O -ATOM 1165 H ASP A 68 13.199 1.231 -2.061 1.00 0.00 H -ATOM 1166 HA ASP A 68 13.365 3.906 -2.940 1.00 0.00 H -ATOM 1167 HB2 ASP A 68 14.214 3.325 -0.778 1.00 0.00 H -ATOM 1168 HB3 ASP A 68 15.296 2.123 -1.451 1.00 0.00 H -ATOM 1169 N GLU A 69 15.119 1.734 -4.568 1.00 0.00 N -ATOM 1170 CA GLU A 69 15.915 1.451 -5.764 1.00 0.00 C -ATOM 1171 C GLU A 69 15.255 2.020 -7.021 1.00 0.00 C -ATOM 1172 O GLU A 69 15.921 2.552 -7.900 1.00 0.00 O -ATOM 1173 CB GLU A 69 16.014 -0.046 -5.954 1.00 0.00 C -ATOM 1174 CG GLU A 69 16.592 -0.800 -4.790 1.00 0.00 C -ATOM 1175 CD GLU A 69 16.483 -2.273 -5.006 1.00 0.00 C -ATOM 1176 OE1 GLU A 69 17.329 -2.848 -5.716 1.00 0.00 O -ATOM 1177 OE2 GLU A 69 15.525 -2.881 -4.499 1.00 0.00 O -ATOM 1178 H GLU A 69 14.792 0.986 -4.026 1.00 0.00 H -ATOM 1179 HA GLU A 69 16.910 1.849 -5.640 1.00 0.00 H -ATOM 1180 HB2 GLU A 69 15.027 -0.438 -6.147 1.00 0.00 H -ATOM 1181 HB3 GLU A 69 16.632 -0.238 -6.818 1.00 0.00 H -ATOM 1182 HG2 GLU A 69 17.632 -0.539 -4.673 1.00 0.00 H -ATOM 1183 HG3 GLU A 69 16.047 -0.543 -3.893 1.00 0.00 H -ATOM 1184 N LYS A 70 13.948 1.903 -7.086 1.00 0.00 N -ATOM 1185 CA LYS A 70 13.199 2.284 -8.271 1.00 0.00 C -ATOM 1186 C LYS A 70 12.416 3.569 -8.038 1.00 0.00 C -ATOM 1187 O LYS A 70 11.789 4.095 -8.955 1.00 0.00 O -ATOM 1188 CB LYS A 70 12.252 1.143 -8.649 1.00 0.00 C -ATOM 1189 CG LYS A 70 12.954 -0.169 -8.949 1.00 0.00 C -ATOM 1190 CD LYS A 70 11.968 -1.310 -9.123 1.00 0.00 C -ATOM 1191 CE LYS A 70 12.696 -2.630 -9.311 1.00 0.00 C -ATOM 1192 NZ LYS A 70 11.771 -3.777 -9.345 1.00 0.00 N -ATOM 1193 H LYS A 70 13.465 1.559 -6.306 1.00 0.00 H -ATOM 1194 HA LYS A 70 13.897 2.432 -9.081 1.00 0.00 H -ATOM 1195 HB2 LYS A 70 11.611 0.962 -7.800 1.00 0.00 H -ATOM 1196 HB3 LYS A 70 11.660 1.427 -9.506 1.00 0.00 H -ATOM 1197 HG2 LYS A 70 13.523 -0.061 -9.861 1.00 0.00 H -ATOM 1198 HG3 LYS A 70 13.623 -0.402 -8.133 1.00 0.00 H -ATOM 1199 HD2 LYS A 70 11.333 -1.374 -8.251 1.00 0.00 H -ATOM 1200 HD3 LYS A 70 11.359 -1.119 -9.995 1.00 0.00 H -ATOM 1201 HE2 LYS A 70 13.242 -2.594 -10.241 1.00 0.00 H -ATOM 1202 HE3 LYS A 70 13.392 -2.757 -8.494 1.00 0.00 H -ATOM 1203 HZ1 LYS A 70 11.088 -3.718 -10.126 1.00 0.00 H -ATOM 1204 HZ2 LYS A 70 11.216 -3.859 -8.468 1.00 0.00 H -ATOM 1205 HZ3 LYS A 70 12.291 -4.670 -9.450 1.00 0.00 H -ATOM 1206 N VAL A 71 12.459 4.060 -6.792 1.00 0.00 N -ATOM 1207 CA VAL A 71 11.752 5.279 -6.366 1.00 0.00 C -ATOM 1208 C VAL A 71 10.218 5.091 -6.572 1.00 0.00 C -ATOM 1209 O VAL A 71 9.476 5.994 -6.972 1.00 0.00 O -ATOM 1210 CB VAL A 71 12.314 6.557 -7.110 1.00 0.00 C -ATOM 1211 CG1 VAL A 71 11.711 7.854 -6.573 1.00 0.00 C -ATOM 1212 CG2 VAL A 71 13.831 6.614 -6.981 1.00 0.00 C -ATOM 1213 H VAL A 71 12.992 3.583 -6.122 1.00 0.00 H -ATOM 1214 HA VAL A 71 11.927 5.373 -5.303 1.00 0.00 H -ATOM 1215 HB VAL A 71 12.071 6.476 -8.159 1.00 0.00 H -ATOM 1216 HG11 VAL A 71 10.641 7.835 -6.716 1.00 0.00 H -ATOM 1217 HG12 VAL A 71 12.132 8.696 -7.101 1.00 0.00 H -ATOM 1218 HG13 VAL A 71 11.931 7.944 -5.519 1.00 0.00 H -ATOM 1219 HG21 VAL A 71 14.102 6.627 -5.937 1.00 0.00 H -ATOM 1220 HG22 VAL A 71 14.194 7.516 -7.449 1.00 0.00 H -ATOM 1221 HG23 VAL A 71 14.270 5.751 -7.458 1.00 0.00 H -ATOM 1222 N VAL A 72 9.748 3.918 -6.232 1.00 0.00 N -ATOM 1223 CA VAL A 72 8.357 3.600 -6.401 1.00 0.00 C -ATOM 1224 C VAL A 72 7.822 2.890 -5.165 1.00 0.00 C -ATOM 1225 O VAL A 72 8.508 2.073 -4.545 1.00 0.00 O -ATOM 1226 CB VAL A 72 8.098 2.743 -7.701 1.00 0.00 C -ATOM 1227 CG1 VAL A 72 8.800 1.403 -7.641 1.00 0.00 C -ATOM 1228 CG2 VAL A 72 6.609 2.547 -7.965 1.00 0.00 C -ATOM 1229 H VAL A 72 10.341 3.256 -5.816 1.00 0.00 H -ATOM 1230 HA VAL A 72 7.829 4.537 -6.499 1.00 0.00 H -ATOM 1231 HB VAL A 72 8.519 3.289 -8.533 1.00 0.00 H -ATOM 1232 HG11 VAL A 72 8.401 0.823 -6.822 1.00 0.00 H -ATOM 1233 HG12 VAL A 72 9.848 1.584 -7.462 1.00 0.00 H -ATOM 1234 HG13 VAL A 72 8.667 0.873 -8.572 1.00 0.00 H -ATOM 1235 HG21 VAL A 72 6.130 3.508 -8.085 1.00 0.00 H -ATOM 1236 HG22 VAL A 72 6.164 2.028 -7.128 1.00 0.00 H -ATOM 1237 HG23 VAL A 72 6.474 1.961 -8.862 1.00 0.00 H -ATOM 1238 N VAL A 73 6.651 3.254 -4.793 1.00 0.00 N -ATOM 1239 CA VAL A 73 5.939 2.661 -3.722 1.00 0.00 C -ATOM 1240 C VAL A 73 5.047 1.588 -4.334 1.00 0.00 C -ATOM 1241 O VAL A 73 4.160 1.890 -5.141 1.00 0.00 O -ATOM 1242 CB VAL A 73 5.090 3.729 -2.996 1.00 0.00 C -ATOM 1243 CG1 VAL A 73 4.298 3.124 -1.874 1.00 0.00 C -ATOM 1244 CG2 VAL A 73 5.974 4.853 -2.472 1.00 0.00 C -ATOM 1245 H VAL A 73 6.200 3.976 -5.284 1.00 0.00 H -ATOM 1246 HA VAL A 73 6.641 2.216 -3.032 1.00 0.00 H -ATOM 1247 HB VAL A 73 4.401 4.153 -3.710 1.00 0.00 H -ATOM 1248 HG11 VAL A 73 4.971 2.672 -1.161 1.00 0.00 H -ATOM 1249 HG12 VAL A 73 3.635 2.368 -2.270 1.00 0.00 H -ATOM 1250 HG13 VAL A 73 3.722 3.894 -1.385 1.00 0.00 H -ATOM 1251 HG21 VAL A 73 6.706 4.448 -1.789 1.00 0.00 H -ATOM 1252 HG22 VAL A 73 5.366 5.580 -1.956 1.00 0.00 H -ATOM 1253 HG23 VAL A 73 6.480 5.328 -3.299 1.00 0.00 H -ATOM 1254 N PHE A 74 5.306 0.366 -3.992 1.00 0.00 N -ATOM 1255 CA PHE A 74 4.640 -0.757 -4.590 1.00 0.00 C -ATOM 1256 C PHE A 74 3.652 -1.367 -3.606 1.00 0.00 C -ATOM 1257 O PHE A 74 4.049 -1.945 -2.588 1.00 0.00 O -ATOM 1258 CB PHE A 74 5.706 -1.777 -5.014 1.00 0.00 C -ATOM 1259 CG PHE A 74 5.204 -2.996 -5.731 1.00 0.00 C -ATOM 1260 CD1 PHE A 74 4.987 -2.967 -7.096 1.00 0.00 C -ATOM 1261 CD2 PHE A 74 4.985 -4.179 -5.046 1.00 0.00 C -ATOM 1262 CE1 PHE A 74 4.559 -4.094 -7.763 1.00 0.00 C -ATOM 1263 CE2 PHE A 74 4.553 -5.305 -5.704 1.00 0.00 C -ATOM 1264 CZ PHE A 74 4.343 -5.265 -7.066 1.00 0.00 C -ATOM 1265 H PHE A 74 5.964 0.190 -3.280 1.00 0.00 H -ATOM 1266 HA PHE A 74 4.115 -0.421 -5.471 1.00 0.00 H -ATOM 1267 HB2 PHE A 74 6.408 -1.288 -5.673 1.00 0.00 H -ATOM 1268 HB3 PHE A 74 6.236 -2.102 -4.132 1.00 0.00 H -ATOM 1269 HD1 PHE A 74 5.154 -2.051 -7.643 1.00 0.00 H -ATOM 1270 HD2 PHE A 74 5.149 -4.211 -3.979 1.00 0.00 H -ATOM 1271 HE1 PHE A 74 4.394 -4.060 -8.830 1.00 0.00 H -ATOM 1272 HE2 PHE A 74 4.384 -6.219 -5.156 1.00 0.00 H -ATOM 1273 HZ PHE A 74 4.008 -6.152 -7.583 1.00 0.00 H -ATOM 1274 N VAL A 75 2.381 -1.208 -3.894 1.00 0.00 N -ATOM 1275 CA VAL A 75 1.326 -1.749 -3.061 1.00 0.00 C -ATOM 1276 C VAL A 75 1.256 -3.257 -3.234 1.00 0.00 C -ATOM 1277 O VAL A 75 1.102 -3.750 -4.347 1.00 0.00 O -ATOM 1278 CB VAL A 75 -0.048 -1.108 -3.396 1.00 0.00 C -ATOM 1279 CG1 VAL A 75 -1.153 -1.655 -2.498 1.00 0.00 C -ATOM 1280 CG2 VAL A 75 0.031 0.411 -3.296 1.00 0.00 C -ATOM 1281 H VAL A 75 2.137 -0.705 -4.705 1.00 0.00 H -ATOM 1282 HA VAL A 75 1.571 -1.536 -2.032 1.00 0.00 H -ATOM 1283 HB VAL A 75 -0.298 -1.365 -4.414 1.00 0.00 H -ATOM 1284 HG11 VAL A 75 -2.092 -1.183 -2.749 1.00 0.00 H -ATOM 1285 HG12 VAL A 75 -0.913 -1.452 -1.465 1.00 0.00 H -ATOM 1286 HG13 VAL A 75 -1.237 -2.722 -2.643 1.00 0.00 H -ATOM 1287 HG21 VAL A 75 0.372 0.696 -2.312 1.00 0.00 H -ATOM 1288 HG22 VAL A 75 -0.946 0.835 -3.474 1.00 0.00 H -ATOM 1289 HG23 VAL A 75 0.722 0.784 -4.037 1.00 0.00 H -ATOM 1290 N ILE A 76 1.379 -3.973 -2.138 1.00 0.00 N -ATOM 1291 CA ILE A 76 1.378 -5.422 -2.163 1.00 0.00 C -ATOM 1292 C ILE A 76 -0.050 -5.937 -2.013 1.00 0.00 C -ATOM 1293 O ILE A 76 -0.471 -6.877 -2.689 1.00 0.00 O -ATOM 1294 CB ILE A 76 2.232 -5.997 -0.994 1.00 0.00 C -ATOM 1295 CG1 ILE A 76 3.666 -5.439 -1.040 1.00 0.00 C -ATOM 1296 CG2 ILE A 76 2.252 -7.527 -1.041 1.00 0.00 C -ATOM 1297 CD1 ILE A 76 4.528 -5.861 0.139 1.00 0.00 C -ATOM 1298 H ILE A 76 1.465 -3.511 -1.275 1.00 0.00 H -ATOM 1299 HA ILE A 76 1.796 -5.759 -3.100 1.00 0.00 H -ATOM 1300 HB ILE A 76 1.770 -5.697 -0.066 1.00 0.00 H -ATOM 1301 HG12 ILE A 76 4.150 -5.784 -1.941 1.00 0.00 H -ATOM 1302 HG13 ILE A 76 3.622 -4.360 -1.054 1.00 0.00 H -ATOM 1303 HG21 ILE A 76 2.678 -7.853 -1.977 1.00 0.00 H -ATOM 1304 HG22 ILE A 76 1.245 -7.907 -0.952 1.00 0.00 H -ATOM 1305 HG23 ILE A 76 2.849 -7.902 -0.225 1.00 0.00 H -ATOM 1306 HD11 ILE A 76 4.591 -6.939 0.173 1.00 0.00 H -ATOM 1307 HD12 ILE A 76 4.080 -5.507 1.058 1.00 0.00 H -ATOM 1308 HD13 ILE A 76 5.519 -5.446 0.037 1.00 0.00 H -ATOM 1309 N SER A 77 -0.793 -5.323 -1.121 1.00 0.00 N -ATOM 1310 CA SER A 77 -2.148 -5.732 -0.839 1.00 0.00 C -ATOM 1311 C SER A 77 -2.952 -4.565 -0.292 1.00 0.00 C -ATOM 1312 O SER A 77 -2.397 -3.659 0.351 1.00 0.00 O -ATOM 1313 CB SER A 77 -2.155 -6.909 0.157 1.00 0.00 C -ATOM 1314 OG SER A 77 -1.526 -8.060 -0.404 1.00 0.00 O -ATOM 1315 H SER A 77 -0.439 -4.552 -0.624 1.00 0.00 H -ATOM 1316 HA SER A 77 -2.596 -6.061 -1.765 1.00 0.00 H -ATOM 1317 HB2 SER A 77 -1.600 -6.620 1.038 1.00 0.00 H -ATOM 1318 HB3 SER A 77 -3.172 -7.157 0.425 1.00 0.00 H -ATOM 1319 HG SER A 77 -1.147 -7.769 -1.248 1.00 0.00 H -ATOM 1320 N VAL A 78 -4.236 -4.578 -0.560 1.00 0.00 N -ATOM 1321 CA VAL A 78 -5.140 -3.552 -0.112 1.00 0.00 C -ATOM 1322 C VAL A 78 -6.489 -4.200 0.210 1.00 0.00 C -ATOM 1323 O VAL A 78 -6.955 -5.072 -0.530 1.00 0.00 O -ATOM 1324 CB VAL A 78 -5.291 -2.415 -1.185 1.00 0.00 C -ATOM 1325 CG1 VAL A 78 -5.804 -2.942 -2.522 1.00 0.00 C -ATOM 1326 CG2 VAL A 78 -6.169 -1.285 -0.679 1.00 0.00 C -ATOM 1327 H VAL A 78 -4.635 -5.313 -1.075 1.00 0.00 H -ATOM 1328 HA VAL A 78 -4.735 -3.133 0.799 1.00 0.00 H -ATOM 1329 HB VAL A 78 -4.303 -2.017 -1.370 1.00 0.00 H -ATOM 1330 HG11 VAL A 78 -5.109 -3.671 -2.911 1.00 0.00 H -ATOM 1331 HG12 VAL A 78 -5.902 -2.127 -3.223 1.00 0.00 H -ATOM 1332 HG13 VAL A 78 -6.767 -3.409 -2.378 1.00 0.00 H -ATOM 1333 HG21 VAL A 78 -5.731 -0.863 0.213 1.00 0.00 H -ATOM 1334 HG22 VAL A 78 -7.153 -1.668 -0.454 1.00 0.00 H -ATOM 1335 HG23 VAL A 78 -6.244 -0.521 -1.439 1.00 0.00 H -ATOM 1336 N GLY A 79 -7.064 -3.851 1.323 1.00 0.00 N -ATOM 1337 CA GLY A 79 -8.329 -4.421 1.699 1.00 0.00 C -ATOM 1338 C GLY A 79 -8.465 -4.503 3.187 1.00 0.00 C -ATOM 1339 O GLY A 79 -7.935 -3.663 3.902 1.00 0.00 O -ATOM 1340 H GLY A 79 -6.627 -3.206 1.928 1.00 0.00 H -ATOM 1341 HA2 GLY A 79 -9.132 -3.829 1.288 1.00 0.00 H -ATOM 1342 HA3 GLY A 79 -8.389 -5.420 1.293 1.00 0.00 H -ATOM 1343 N LYS A 80 -9.154 -5.491 3.666 1.00 0.00 N -ATOM 1344 CA LYS A 80 -9.311 -5.654 5.084 1.00 0.00 C -ATOM 1345 C LYS A 80 -8.236 -6.578 5.631 1.00 0.00 C -ATOM 1346 O LYS A 80 -7.835 -7.539 4.978 1.00 0.00 O -ATOM 1347 CB LYS A 80 -10.721 -6.146 5.444 1.00 0.00 C -ATOM 1348 CG LYS A 80 -11.823 -5.179 5.008 1.00 0.00 C -ATOM 1349 CD LYS A 80 -13.207 -5.581 5.518 1.00 0.00 C -ATOM 1350 CE LYS A 80 -13.684 -6.916 4.961 1.00 0.00 C -ATOM 1351 NZ LYS A 80 -15.045 -7.253 5.443 1.00 0.00 N -ATOM 1352 H LYS A 80 -9.563 -6.143 3.057 1.00 0.00 H -ATOM 1353 HA LYS A 80 -9.158 -4.680 5.527 1.00 0.00 H -ATOM 1354 HB2 LYS A 80 -10.889 -7.099 4.965 1.00 0.00 H -ATOM 1355 HB3 LYS A 80 -10.785 -6.273 6.515 1.00 0.00 H -ATOM 1356 HG2 LYS A 80 -11.590 -4.196 5.393 1.00 0.00 H -ATOM 1357 HG3 LYS A 80 -11.842 -5.140 3.929 1.00 0.00 H -ATOM 1358 HD2 LYS A 80 -13.164 -5.658 6.595 1.00 0.00 H -ATOM 1359 HD3 LYS A 80 -13.913 -4.811 5.244 1.00 0.00 H -ATOM 1360 HE2 LYS A 80 -13.699 -6.859 3.882 1.00 0.00 H -ATOM 1361 HE3 LYS A 80 -12.999 -7.690 5.271 1.00 0.00 H -ATOM 1362 HZ1 LYS A 80 -15.743 -6.550 5.124 1.00 0.00 H -ATOM 1363 HZ2 LYS A 80 -15.069 -7.292 6.483 1.00 0.00 H -ATOM 1364 HZ3 LYS A 80 -15.326 -8.185 5.078 1.00 0.00 H -ATOM 1365 N ALA A 81 -7.747 -6.255 6.792 1.00 0.00 N -ATOM 1366 CA ALA A 81 -6.720 -7.011 7.441 1.00 0.00 C -ATOM 1367 C ALA A 81 -7.098 -7.141 8.882 1.00 0.00 C -ATOM 1368 O ALA A 81 -7.208 -6.133 9.587 1.00 0.00 O -ATOM 1369 CB ALA A 81 -5.391 -6.289 7.321 1.00 0.00 C -ATOM 1370 H ALA A 81 -8.097 -5.483 7.282 1.00 0.00 H -ATOM 1371 HA ALA A 81 -6.639 -7.980 6.971 1.00 0.00 H -ATOM 1372 HB1 ALA A 81 -4.626 -6.855 7.830 1.00 0.00 H -ATOM 1373 HB2 ALA A 81 -5.472 -5.312 7.774 1.00 0.00 H -ATOM 1374 HB3 ALA A 81 -5.129 -6.185 6.278 1.00 0.00 H -ATOM 1375 N GLU A 82 -7.321 -8.333 9.326 1.00 0.00 N -ATOM 1376 CA GLU A 82 -7.753 -8.527 10.673 1.00 0.00 C -ATOM 1377 C GLU A 82 -6.573 -8.965 11.523 1.00 0.00 C -ATOM 1378 O GLU A 82 -6.328 -8.425 12.607 1.00 0.00 O -ATOM 1379 CB GLU A 82 -8.889 -9.550 10.723 1.00 0.00 C -ATOM 1380 CG GLU A 82 -9.590 -9.639 12.067 1.00 0.00 C -ATOM 1381 CD GLU A 82 -10.250 -8.336 12.461 1.00 0.00 C -ATOM 1382 OE1 GLU A 82 -9.595 -7.490 13.097 1.00 0.00 O -ATOM 1383 OE2 GLU A 82 -11.446 -8.133 12.146 1.00 0.00 O -ATOM 1384 H GLU A 82 -7.170 -9.122 8.753 1.00 0.00 H -ATOM 1385 HA GLU A 82 -8.114 -7.580 11.043 1.00 0.00 H -ATOM 1386 HB2 GLU A 82 -9.625 -9.288 9.976 1.00 0.00 H -ATOM 1387 HB3 GLU A 82 -8.477 -10.520 10.487 1.00 0.00 H -ATOM 1388 HG2 GLU A 82 -10.347 -10.408 12.023 1.00 0.00 H -ATOM 1389 HG3 GLU A 82 -8.858 -9.898 12.818 1.00 0.00 H -ATOM 1390 N ALA A 83 -5.810 -9.898 11.020 1.00 0.00 N -ATOM 1391 CA ALA A 83 -4.680 -10.394 11.756 1.00 0.00 C -ATOM 1392 C ALA A 83 -3.456 -10.583 10.883 1.00 0.00 C -ATOM 1393 O ALA A 83 -2.401 -10.028 11.178 1.00 0.00 O -ATOM 1394 CB ALA A 83 -5.023 -11.678 12.483 1.00 0.00 C -ATOM 1395 H ALA A 83 -6.018 -10.246 10.118 1.00 0.00 H -ATOM 1396 HA ALA A 83 -4.442 -9.652 12.504 1.00 0.00 H -ATOM 1397 HB1 ALA A 83 -5.908 -11.529 13.085 1.00 0.00 H -ATOM 1398 HB2 ALA A 83 -4.197 -11.960 13.117 1.00 0.00 H -ATOM 1399 HB3 ALA A 83 -5.202 -12.457 11.760 1.00 0.00 H -ATOM 1400 N SER A 84 -3.574 -11.330 9.809 1.00 0.00 N -ATOM 1401 CA SER A 84 -2.393 -11.632 9.024 1.00 0.00 C -ATOM 1402 C SER A 84 -2.672 -11.718 7.529 1.00 0.00 C -ATOM 1403 O SER A 84 -1.775 -12.048 6.756 1.00 0.00 O -ATOM 1404 CB SER A 84 -1.807 -12.945 9.522 1.00 0.00 C -ATOM 1405 OG SER A 84 -2.793 -13.978 9.489 1.00 0.00 O -ATOM 1406 H SER A 84 -4.446 -11.701 9.548 1.00 0.00 H -ATOM 1407 HA SER A 84 -1.662 -10.861 9.213 1.00 0.00 H -ATOM 1408 HB2 SER A 84 -0.981 -13.224 8.885 1.00 0.00 H -ATOM 1409 HB3 SER A 84 -1.459 -12.825 10.537 1.00 0.00 H -ATOM 1410 HG SER A 84 -2.881 -14.274 8.573 1.00 0.00 H -ATOM 1411 N GLU A 85 -3.867 -11.329 7.125 1.00 0.00 N -ATOM 1412 CA GLU A 85 -4.357 -11.502 5.751 1.00 0.00 C -ATOM 1413 C GLU A 85 -3.440 -10.844 4.732 1.00 0.00 C -ATOM 1414 O GLU A 85 -3.032 -11.457 3.767 1.00 0.00 O -ATOM 1415 CB GLU A 85 -5.773 -10.907 5.617 1.00 0.00 C -ATOM 1416 CG GLU A 85 -6.891 -11.629 6.386 1.00 0.00 C -ATOM 1417 CD GLU A 85 -6.643 -11.741 7.868 1.00 0.00 C -ATOM 1418 OE1 GLU A 85 -6.201 -10.744 8.494 1.00 0.00 O -ATOM 1419 OE2 GLU A 85 -6.807 -12.836 8.423 1.00 0.00 O -ATOM 1420 H GLU A 85 -4.500 -10.920 7.760 1.00 0.00 H -ATOM 1421 HA GLU A 85 -4.417 -12.560 5.545 1.00 0.00 H -ATOM 1422 HB2 GLU A 85 -5.743 -9.886 5.968 1.00 0.00 H -ATOM 1423 HB3 GLU A 85 -6.029 -10.902 4.570 1.00 0.00 H -ATOM 1424 HG2 GLU A 85 -7.815 -11.090 6.241 1.00 0.00 H -ATOM 1425 HG3 GLU A 85 -6.997 -12.624 5.979 1.00 0.00 H -ATOM 1426 N VAL A 86 -3.087 -9.615 4.981 1.00 0.00 N -ATOM 1427 CA VAL A 86 -2.232 -8.885 4.066 1.00 0.00 C -ATOM 1428 C VAL A 86 -0.761 -8.984 4.490 1.00 0.00 C -ATOM 1429 O VAL A 86 0.126 -8.517 3.795 1.00 0.00 O -ATOM 1430 CB VAL A 86 -2.655 -7.395 3.969 1.00 0.00 C -ATOM 1431 CG1 VAL A 86 -4.085 -7.268 3.452 1.00 0.00 C -ATOM 1432 CG2 VAL A 86 -2.514 -6.703 5.315 1.00 0.00 C -ATOM 1433 H VAL A 86 -3.418 -9.186 5.794 1.00 0.00 H -ATOM 1434 HA VAL A 86 -2.341 -9.336 3.091 1.00 0.00 H -ATOM 1435 HB VAL A 86 -2.006 -6.902 3.262 1.00 0.00 H -ATOM 1436 HG11 VAL A 86 -4.155 -7.714 2.471 1.00 0.00 H -ATOM 1437 HG12 VAL A 86 -4.359 -6.225 3.395 1.00 0.00 H -ATOM 1438 HG13 VAL A 86 -4.756 -7.780 4.128 1.00 0.00 H -ATOM 1439 HG21 VAL A 86 -1.482 -6.747 5.634 1.00 0.00 H -ATOM 1440 HG22 VAL A 86 -3.134 -7.208 6.041 1.00 0.00 H -ATOM 1441 HG23 VAL A 86 -2.823 -5.672 5.227 1.00 0.00 H -ATOM 1442 N TYR A 87 -0.521 -9.628 5.613 1.00 0.00 N -ATOM 1443 CA TYR A 87 0.818 -9.692 6.184 1.00 0.00 C -ATOM 1444 C TYR A 87 1.570 -10.913 5.695 1.00 0.00 C -ATOM 1445 O TYR A 87 2.759 -10.827 5.377 1.00 0.00 O -ATOM 1446 CB TYR A 87 0.772 -9.666 7.713 1.00 0.00 C -ATOM 1447 CG TYR A 87 0.174 -8.399 8.297 1.00 0.00 C -ATOM 1448 CD1 TYR A 87 -1.195 -8.278 8.512 1.00 0.00 C -ATOM 1449 CD2 TYR A 87 0.981 -7.326 8.636 1.00 0.00 C -ATOM 1450 CE1 TYR A 87 -1.736 -7.127 9.045 1.00 0.00 C -ATOM 1451 CE2 TYR A 87 0.447 -6.172 9.172 1.00 0.00 C -ATOM 1452 CZ TYR A 87 -0.909 -6.077 9.373 1.00 0.00 C -ATOM 1453 OH TYR A 87 -1.444 -4.922 9.906 1.00 0.00 O -ATOM 1454 H TYR A 87 -1.260 -10.110 6.041 1.00 0.00 H -ATOM 1455 HA TYR A 87 1.349 -8.816 5.841 1.00 0.00 H -ATOM 1456 HB2 TYR A 87 0.199 -10.510 8.059 1.00 0.00 H -ATOM 1457 HB3 TYR A 87 1.780 -9.764 8.091 1.00 0.00 H -ATOM 1458 HD1 TYR A 87 -1.844 -9.100 8.251 1.00 0.00 H -ATOM 1459 HD2 TYR A 87 2.047 -7.400 8.477 1.00 0.00 H -ATOM 1460 HE1 TYR A 87 -2.801 -7.052 9.206 1.00 0.00 H -ATOM 1461 HE2 TYR A 87 1.092 -5.348 9.431 1.00 0.00 H -ATOM 1462 HH TYR A 87 -1.083 -4.165 9.433 1.00 0.00 H -ATOM 1463 N SER A 88 0.877 -12.045 5.606 1.00 0.00 N -ATOM 1464 CA SER A 88 1.485 -13.272 5.128 1.00 0.00 C -ATOM 1465 C SER A 88 1.925 -13.098 3.697 1.00 0.00 C -ATOM 1466 O SER A 88 3.037 -13.461 3.316 1.00 0.00 O -ATOM 1467 CB SER A 88 0.486 -14.422 5.238 1.00 0.00 C -ATOM 1468 OG SER A 88 -0.773 -14.073 4.660 1.00 0.00 O -ATOM 1469 H SER A 88 -0.071 -12.082 5.864 1.00 0.00 H -ATOM 1470 HA SER A 88 2.342 -13.492 5.745 1.00 0.00 H -ATOM 1471 HB2 SER A 88 0.873 -15.282 4.713 1.00 0.00 H -ATOM 1472 HB3 SER A 88 0.338 -14.666 6.279 1.00 0.00 H -ATOM 1473 HG SER A 88 -0.746 -14.259 3.704 1.00 0.00 H -ATOM 1474 N GLU A 89 1.066 -12.460 2.938 1.00 0.00 N -ATOM 1475 CA GLU A 89 1.282 -12.225 1.541 1.00 0.00 C -ATOM 1476 C GLU A 89 2.473 -11.301 1.356 1.00 0.00 C -ATOM 1477 O GLU A 89 3.246 -11.449 0.423 1.00 0.00 O -ATOM 1478 CB GLU A 89 0.033 -11.595 0.927 1.00 0.00 C -ATOM 1479 CG GLU A 89 -1.275 -12.305 1.288 1.00 0.00 C -ATOM 1480 CD GLU A 89 -1.248 -13.795 1.033 1.00 0.00 C -ATOM 1481 OE1 GLU A 89 -1.563 -14.232 -0.098 1.00 0.00 O -ATOM 1482 OE2 GLU A 89 -0.898 -14.561 1.960 1.00 0.00 O -ATOM 1483 H GLU A 89 0.231 -12.157 3.353 1.00 0.00 H -ATOM 1484 HA GLU A 89 1.473 -13.169 1.055 1.00 0.00 H -ATOM 1485 HB2 GLU A 89 -0.036 -10.573 1.269 1.00 0.00 H -ATOM 1486 HB3 GLU A 89 0.137 -11.593 -0.148 1.00 0.00 H -ATOM 1487 HG2 GLU A 89 -1.477 -12.146 2.336 1.00 0.00 H -ATOM 1488 HG3 GLU A 89 -2.072 -11.867 0.704 1.00 0.00 H -ATOM 1489 N ALA A 90 2.629 -10.382 2.289 1.00 0.00 N -ATOM 1490 CA ALA A 90 3.691 -9.412 2.246 1.00 0.00 C -ATOM 1491 C ALA A 90 5.034 -10.041 2.608 1.00 0.00 C -ATOM 1492 O ALA A 90 6.020 -9.811 1.932 1.00 0.00 O -ATOM 1493 CB ALA A 90 3.375 -8.234 3.154 1.00 0.00 C -ATOM 1494 H ALA A 90 2.002 -10.369 3.042 1.00 0.00 H -ATOM 1495 HA ALA A 90 3.756 -9.046 1.232 1.00 0.00 H -ATOM 1496 HB1 ALA A 90 3.343 -8.575 4.179 1.00 0.00 H -ATOM 1497 HB2 ALA A 90 2.418 -7.814 2.883 1.00 0.00 H -ATOM 1498 HB3 ALA A 90 4.143 -7.482 3.049 1.00 0.00 H -ATOM 1499 N VAL A 91 5.068 -10.855 3.652 1.00 0.00 N -ATOM 1500 CA VAL A 91 6.328 -11.472 4.073 1.00 0.00 C -ATOM 1501 C VAL A 91 6.791 -12.527 3.047 1.00 0.00 C -ATOM 1502 O VAL A 91 7.985 -12.698 2.803 1.00 0.00 O -ATOM 1503 CB VAL A 91 6.255 -12.058 5.525 1.00 0.00 C -ATOM 1504 CG1 VAL A 91 5.277 -13.213 5.637 1.00 0.00 C -ATOM 1505 CG2 VAL A 91 7.635 -12.444 6.046 1.00 0.00 C -ATOM 1506 H VAL A 91 4.241 -11.025 4.157 1.00 0.00 H -ATOM 1507 HA VAL A 91 7.066 -10.683 4.050 1.00 0.00 H -ATOM 1508 HB VAL A 91 5.871 -11.269 6.158 1.00 0.00 H -ATOM 1509 HG11 VAL A 91 4.298 -12.879 5.330 1.00 0.00 H -ATOM 1510 HG12 VAL A 91 5.236 -13.555 6.661 1.00 0.00 H -ATOM 1511 HG13 VAL A 91 5.600 -14.021 4.996 1.00 0.00 H -ATOM 1512 HG21 VAL A 91 8.268 -11.569 6.077 1.00 0.00 H -ATOM 1513 HG22 VAL A 91 8.074 -13.176 5.385 1.00 0.00 H -ATOM 1514 HG23 VAL A 91 7.543 -12.860 7.038 1.00 0.00 H -ATOM 1515 N LYS A 92 5.830 -13.159 2.390 1.00 0.00 N -ATOM 1516 CA LYS A 92 6.107 -14.165 1.370 1.00 0.00 C -ATOM 1517 C LYS A 92 6.645 -13.561 0.086 1.00 0.00 C -ATOM 1518 O LYS A 92 7.072 -14.282 -0.823 1.00 0.00 O -ATOM 1519 CB LYS A 92 4.910 -15.085 1.131 1.00 0.00 C -ATOM 1520 CG LYS A 92 4.611 -15.996 2.316 1.00 0.00 C -ATOM 1521 CD LYS A 92 5.745 -16.987 2.551 1.00 0.00 C -ATOM 1522 CE LYS A 92 5.533 -17.817 3.806 1.00 0.00 C -ATOM 1523 NZ LYS A 92 5.544 -16.991 5.034 1.00 0.00 N -ATOM 1524 H LYS A 92 4.894 -12.958 2.608 1.00 0.00 H -ATOM 1525 HA LYS A 92 6.918 -14.756 1.769 1.00 0.00 H -ATOM 1526 HB2 LYS A 92 4.040 -14.476 0.936 1.00 0.00 H -ATOM 1527 HB3 LYS A 92 5.110 -15.704 0.267 1.00 0.00 H -ATOM 1528 HG2 LYS A 92 4.492 -15.387 3.200 1.00 0.00 H -ATOM 1529 HG3 LYS A 92 3.697 -16.538 2.126 1.00 0.00 H -ATOM 1530 HD2 LYS A 92 5.812 -17.652 1.703 1.00 0.00 H -ATOM 1531 HD3 LYS A 92 6.679 -16.456 2.642 1.00 0.00 H -ATOM 1532 HE2 LYS A 92 4.578 -18.317 3.736 1.00 0.00 H -ATOM 1533 HE3 LYS A 92 6.317 -18.556 3.872 1.00 0.00 H -ATOM 1534 HZ1 LYS A 92 6.391 -16.389 5.082 1.00 0.00 H -ATOM 1535 HZ2 LYS A 92 5.579 -17.618 5.862 1.00 0.00 H -ATOM 1536 HZ3 LYS A 92 4.688 -16.407 5.115 1.00 0.00 H -ATOM 1537 N ARG A 93 6.598 -12.235 -0.015 1.00 0.00 N -ATOM 1538 CA ARG A 93 7.188 -11.540 -1.153 1.00 0.00 C -ATOM 1539 C ARG A 93 8.710 -11.650 -1.061 1.00 0.00 C -ATOM 1540 O ARG A 93 9.418 -11.540 -2.056 1.00 0.00 O -ATOM 1541 CB ARG A 93 6.772 -10.067 -1.186 1.00 0.00 C -ATOM 1542 CG ARG A 93 5.269 -9.843 -1.178 1.00 0.00 C -ATOM 1543 CD ARG A 93 4.570 -10.426 -2.400 1.00 0.00 C -ATOM 1544 NE ARG A 93 4.918 -9.698 -3.609 1.00 0.00 N -ATOM 1545 CZ ARG A 93 4.105 -9.488 -4.639 1.00 0.00 C -ATOM 1546 NH1 ARG A 93 2.921 -10.085 -4.706 1.00 0.00 N -ATOM 1547 NH2 ARG A 93 4.491 -8.716 -5.624 1.00 0.00 N -ATOM 1548 H ARG A 93 6.166 -11.719 0.699 1.00 0.00 H -ATOM 1549 HA ARG A 93 6.854 -12.036 -2.053 1.00 0.00 H -ATOM 1550 HB2 ARG A 93 7.193 -9.567 -0.327 1.00 0.00 H -ATOM 1551 HB3 ARG A 93 7.179 -9.619 -2.080 1.00 0.00 H -ATOM 1552 HG2 ARG A 93 4.857 -10.314 -0.298 1.00 0.00 H -ATOM 1553 HG3 ARG A 93 5.077 -8.781 -1.135 1.00 0.00 H -ATOM 1554 HD2 ARG A 93 4.856 -11.460 -2.514 1.00 0.00 H -ATOM 1555 HD3 ARG A 93 3.503 -10.366 -2.249 1.00 0.00 H -ATOM 1556 HE ARG A 93 5.816 -9.293 -3.617 1.00 0.00 H -ATOM 1557 HH11 ARG A 93 2.583 -10.717 -4.008 1.00 0.00 H -ATOM 1558 HH12 ARG A 93 2.323 -9.904 -5.495 1.00 0.00 H -ATOM 1559 HH21 ARG A 93 5.392 -8.274 -5.645 1.00 0.00 H -ATOM 1560 HH22 ARG A 93 3.853 -8.536 -6.387 1.00 0.00 H -ATOM 1561 N ILE A 94 9.197 -11.883 0.149 1.00 0.00 N -ATOM 1562 CA ILE A 94 10.602 -12.090 0.381 1.00 0.00 C -ATOM 1563 C ILE A 94 10.849 -13.600 0.346 1.00 0.00 C -ATOM 1564 O ILE A 94 10.933 -14.268 1.383 1.00 0.00 O -ATOM 1565 CB ILE A 94 11.129 -11.469 1.744 1.00 0.00 C -ATOM 1566 CG1 ILE A 94 10.888 -9.939 1.835 1.00 0.00 C -ATOM 1567 CG2 ILE A 94 12.619 -11.750 1.943 1.00 0.00 C -ATOM 1568 CD1 ILE A 94 9.447 -9.507 2.058 1.00 0.00 C -ATOM 1569 H ILE A 94 8.589 -11.951 0.916 1.00 0.00 H -ATOM 1570 HA ILE A 94 11.126 -11.644 -0.453 1.00 0.00 H -ATOM 1571 HB ILE A 94 10.596 -11.955 2.549 1.00 0.00 H -ATOM 1572 HG12 ILE A 94 11.465 -9.547 2.660 1.00 0.00 H -ATOM 1573 HG13 ILE A 94 11.236 -9.481 0.921 1.00 0.00 H -ATOM 1574 HG21 ILE A 94 12.942 -11.332 2.885 1.00 0.00 H -ATOM 1575 HG22 ILE A 94 13.178 -11.296 1.140 1.00 0.00 H -ATOM 1576 HG23 ILE A 94 12.789 -12.817 1.941 1.00 0.00 H -ATOM 1577 HD11 ILE A 94 9.397 -8.428 2.101 1.00 0.00 H -ATOM 1578 HD12 ILE A 94 9.083 -9.924 2.984 1.00 0.00 H -ATOM 1579 HD13 ILE A 94 8.838 -9.862 1.241 1.00 0.00 H -ATOM 1580 N LEU A 95 10.833 -14.122 -0.855 1.00 0.00 N -ATOM 1581 CA LEU A 95 11.004 -15.525 -1.139 1.00 0.00 C -ATOM 1582 C LEU A 95 11.067 -15.663 -2.639 1.00 0.00 C -ATOM 1583 O LEU A 95 12.138 -15.958 -3.174 1.00 0.00 O -ATOM 1584 CB LEU A 95 9.835 -16.365 -0.574 1.00 0.00 C -ATOM 1585 CG LEU A 95 9.942 -17.890 -0.742 1.00 0.00 C -ATOM 1586 CD1 LEU A 95 11.177 -18.434 -0.033 1.00 0.00 C -ATOM 1587 CD2 LEU A 95 8.687 -18.571 -0.216 1.00 0.00 C -ATOM 1588 OXT LEU A 95 10.059 -15.340 -3.308 1.00 0.00 O -ATOM 1589 H LEU A 95 10.696 -13.527 -1.622 1.00 0.00 H -ATOM 1590 HA LEU A 95 11.939 -15.846 -0.704 1.00 0.00 H -ATOM 1591 HB2 LEU A 95 9.750 -16.150 0.482 1.00 0.00 H -ATOM 1592 HB3 LEU A 95 8.927 -16.037 -1.056 1.00 0.00 H -ATOM 1593 HG LEU A 95 10.038 -18.120 -1.793 1.00 0.00 H -ATOM 1594 HD11 LEU A 95 11.123 -18.190 1.018 1.00 0.00 H -ATOM 1595 HD12 LEU A 95 12.064 -17.992 -0.461 1.00 0.00 H -ATOM 1596 HD13 LEU A 95 11.217 -19.506 -0.153 1.00 0.00 H -ATOM 1597 HD21 LEU A 95 7.826 -18.226 -0.770 1.00 0.00 H -ATOM 1598 HD22 LEU A 95 8.557 -18.337 0.830 1.00 0.00 H -ATOM 1599 HD23 LEU A 95 8.782 -19.641 -0.332 1.00 0.00 H -TER 1600 LEU A 95 -ENDMDL -MASTER 196 0 0 3 4 0 0 631980 20 0 8 -END diff --git a/biojava-structure/src/test/resources/5pti.cif b/biojava-structure/src/test/resources/5pti.cif deleted file mode 100644 index 473cbcba6c..0000000000 --- a/biojava-structure/src/test/resources/5pti.cif +++ /dev/null @@ -1,2005 +0,0 @@ -data_5PTI -# -_entry.id 5PTI -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 1.0670 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -_database_2.database_id PDB -_database_2.database_code 5PTI -# -loop_ -_database_PDB_rev.num -_database_PDB_rev.date -_database_PDB_rev.date_original -_database_PDB_rev.status -_database_PDB_rev.replaces -_database_PDB_rev.mod_type -1 1984-10-29 1984-10-05 ? 5PTI 0 -2 1985-03-04 ? ? 5PTI 1 -3 1987-04-16 ? ? 5PTI 1 -4 1987-10-16 ? ? 5PTI 1 -5 1990-01-15 ? ? 5PTI 1 -6 2009-02-24 ? ? 5PTI 1 -# -loop_ -_database_PDB_rev_record.rev_num -_database_PDB_rev_record.type -_database_PDB_rev_record.details -2 JRNL ? -3 REMARK ? -4 HELIX ? -5 JRNL ? -6 VERSN ? -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 5PTI -_pdbx_database_status.deposit_site ? -_pdbx_database_status.process_site ? -_pdbx_database_status.SG_entry ? -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Wlodawer, A.' 1 -'Huber, R.' 2 -# -loop_ -_citation.id -_citation.title -_citation.journal_abbrev -_citation.journal_volume -_citation.page_first -_citation.page_last -_citation.year -_citation.journal_id_ASTM -_citation.country -_citation.journal_id_ISSN -_citation.journal_id_CSD -_citation.book_publisher -_citation.pdbx_database_id_PubMed -_citation.pdbx_database_id_DOI -primary 'Structure of bovine pancreatic trypsin inhibitor. Results of joint neutron and X-ray refinement of crystal form II' -J.Mol.Biol. 180 301 329 1984 JMOBAK UK 0022-2836 0070 ? 6210373 '10.1016/S0022-2836(84)80006-6' -1 'Comparison of Two Highly Refined Structures of Bovine Pancreatic Trypsin Inhibitor' -J.Mol.Biol. 193 145 ? 1987 JMOBAK UK 0022-2836 0070 ? ? ? -2 'Pancreatic Trypsin Inhibitor. A New Crystal Form and its Analysis' -J.Mol.Biol. 167 911 ? 1983 JMOBAK UK 0022-2836 0070 ? ? ? -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -primary 'Wlodawer, A.' 1 -primary 'Walter, J.' 2 -primary 'Huber, R.' 3 -primary 'Sjolin, L.' 4 -1 'Wlodawer, A.' 5 -1 'Deisenhofer, J.' 6 -1 'Huber, R.' 7 -2 'Walter, J.' 8 -2 'Huber, R.' 9 -# -_cell.entry_id 5PTI -_cell.length_a 74.100 -_cell.length_b 23.400 -_cell.length_c 28.900 -_cell.angle_alpha 90.00 -_cell.angle_beta 90.00 -_cell.angle_gamma 90.00 -_cell.Z_PDB 4 -_cell.pdbx_unique_axis ? -# -_symmetry.entry_id 5PTI -_symmetry.space_group_name_H-M 'P 21 21 21' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number ? -# -loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -1 polymer man 'TRYPSIN INHIBITOR' 6527.598 1 ? -2 non-polymer syn 'PHOSPHATE ION' 94.971 1 ? -3 non-polymer syn 'UNKNOWN ATOM OR ION' ? 1 ? -4 water nat water 18.015 63 ? -# -_entity_poly.entity_id 1 -_entity_poly.type 'polypeptide(L)' -_entity_poly.nstd_linkage no -_entity_poly.nstd_monomer no -_entity_poly.pdbx_seq_one_letter_code RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGA -_entity_poly.pdbx_seq_one_letter_code_can RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGA -_entity_poly.pdbx_strand_id A -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 ARG n -1 2 PRO n -1 3 ASP n -1 4 PHE n -1 5 CYS n -1 6 LEU n -1 7 GLU n -1 8 PRO n -1 9 PRO n -1 10 TYR n -1 11 THR n -1 12 GLY n -1 13 PRO n -1 14 CYS n -1 15 LYS n -1 16 ALA n -1 17 ARG n -1 18 ILE n -1 19 ILE n -1 20 ARG n -1 21 TYR n -1 22 PHE n -1 23 TYR n -1 24 ASN n -1 25 ALA n -1 26 LYS n -1 27 ALA n -1 28 GLY n -1 29 LEU n -1 30 CYS n -1 31 GLN n -1 32 THR n -1 33 PHE n -1 34 VAL n -1 35 TYR n -1 36 GLY n -1 37 GLY n -1 38 CYS n -1 39 ARG n -1 40 ALA n -1 41 LYS n -1 42 ARG n -1 43 ASN n -1 44 ASN n -1 45 PHE n -1 46 LYS n -1 47 SER n -1 48 ALA n -1 49 GLU n -1 50 ASP n -1 51 CYS n -1 52 MET n -1 53 ARG n -1 54 THR n -1 55 CYS n -1 56 GLY n -1 57 GLY n -1 58 ALA n -# -_entity_src_gen.entity_id 1 -_entity_src_gen.gene_src_common_name cattle -_entity_src_gen.gene_src_genus Bos -_entity_src_gen.pdbx_gene_src_gene ? -_entity_src_gen.gene_src_species ? -_entity_src_gen.gene_src_strain ? -_entity_src_gen.gene_src_tissue ? -_entity_src_gen.gene_src_tissue_fraction ? -_entity_src_gen.gene_src_details ? -_entity_src_gen.pdbx_gene_src_fragment ? -_entity_src_gen.pdbx_gene_src_scientific_name 'Bos taurus' -_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9913 -_entity_src_gen.pdbx_gene_src_variant ? -_entity_src_gen.pdbx_gene_src_cell_line ? -_entity_src_gen.pdbx_gene_src_atcc ? -_entity_src_gen.pdbx_gene_src_organ ? -_entity_src_gen.pdbx_gene_src_organelle ? -_entity_src_gen.pdbx_gene_src_cell ? -_entity_src_gen.pdbx_gene_src_cellular_location ? -_entity_src_gen.host_org_common_name ? -_entity_src_gen.pdbx_host_org_scientific_name ? -_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ? -_entity_src_gen.host_org_genus ? -_entity_src_gen.pdbx_host_org_gene ? -_entity_src_gen.pdbx_host_org_organ ? -_entity_src_gen.host_org_species ? -_entity_src_gen.pdbx_host_org_tissue ? -_entity_src_gen.pdbx_host_org_tissue_fraction ? -_entity_src_gen.pdbx_host_org_strain ? -_entity_src_gen.pdbx_host_org_variant ? -_entity_src_gen.pdbx_host_org_cell_line ? -_entity_src_gen.pdbx_host_org_atcc ? -_entity_src_gen.pdbx_host_org_culture_collection ? -_entity_src_gen.pdbx_host_org_cell ? -_entity_src_gen.pdbx_host_org_organelle ? -_entity_src_gen.pdbx_host_org_cellular_location ? -_entity_src_gen.pdbx_host_org_vector_type ? -_entity_src_gen.pdbx_host_org_vector ? -_entity_src_gen.plasmid_name ? -_entity_src_gen.plasmid_details ? -_entity_src_gen.pdbx_description ? -# -_struct_ref.id 1 -_struct_ref.db_name UNP -_struct_ref.db_code BPT1_BOVIN -_struct_ref.entity_id 1 -_struct_ref.pdbx_db_accession P00974 -_struct_ref.pdbx_align_begin 1 -_struct_ref.pdbx_seq_one_letter_code -;MKMSRLCLSVALLVLLGTLAASTPGCDTSNQAKAQRPDFCLEPPYTGPCKARIIRYFYNA -KAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGAIGPWENL - -; -_struct_ref.biol_id . -# -_struct_ref_seq.align_id 1 -_struct_ref_seq.ref_id 1 -_struct_ref_seq.pdbx_PDB_id_code 5PTI -_struct_ref_seq.pdbx_strand_id A -_struct_ref_seq.seq_align_beg 1 -_struct_ref_seq.pdbx_seq_align_beg_ins_code ? -_struct_ref_seq.seq_align_end 58 -_struct_ref_seq.pdbx_seq_align_end_ins_code ? -_struct_ref_seq.pdbx_db_accession P00974 -_struct_ref_seq.db_align_beg 36 -_struct_ref_seq.pdbx_db_align_beg_ins_code ? -_struct_ref_seq.db_align_end 93 -_struct_ref_seq.pdbx_db_align_end_ins_code ? -_struct_ref_seq.pdbx_auth_seq_align_beg 1 -_struct_ref_seq.pdbx_auth_seq_align_end 58 -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.210 -PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.132 -ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.104 -PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.191 -CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.154 -LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.174 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.130 -TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 -THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.120 -GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 -LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.197 -ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.094 -ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.174 -ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 -GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 -VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.147 -SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 -MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.207 -PO4 non-polymer . 'PHOSPHATE ION' ? 'O4 P -3' 94.971 -UNX non-polymer . 'UNKNOWN ATOM OR ION' ? X ? -DOD non-polymer . 'DEUTERATED WATER' ? O 18.015 -# -loop_ -_exptl.entry_id -_exptl.method -_exptl.crystals_number -5PTI 'X-RAY DIFFRACTION' ? -5PTI 'NEUTRON DIFFRACTION' ? -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_Matthews 1.92 -_exptl_crystal.density_percent_sol 35.87 -_exptl_crystal.description ? -# -_refine.entry_id 5PTI -_refine.ls_number_reflns_obs ? -_refine.ls_number_reflns_all ? -_refine.pdbx_ls_sigma_I ? -_refine.pdbx_ls_sigma_F ? -_refine.pdbx_data_cutoff_high_absF ? -_refine.pdbx_data_cutoff_low_absF ? -_refine.pdbx_data_cutoff_high_rms_absF ? -_refine.ls_d_res_low ? -_refine.ls_d_res_high 1.0 -_refine.ls_percent_reflns_obs ? -_refine.ls_R_factor_obs ? -_refine.ls_R_factor_all ? -_refine.ls_R_factor_R_work ? -_refine.ls_R_factor_R_free ? -_refine.ls_R_factor_R_free_error ? -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free ? -_refine.ls_number_reflns_R_free ? -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.B_iso_mean ? -_refine.aniso_B[1][1] ? -_refine.aniso_B[2][2] ? -_refine.aniso_B[3][3] ? -_refine.aniso_B[1][2] ? -_refine.aniso_B[1][3] ? -_refine.aniso_B[2][3] ? -_refine.solvent_model_details ? -_refine.solvent_model_param_ksol ? -_refine.solvent_model_param_bsol ? -_refine.pdbx_ls_cross_valid_method ? -_refine.details ? -_refine.pdbx_starting_model ? -_refine.pdbx_method_to_determine_struct ? -_refine.pdbx_isotropic_thermal_model ? -_refine.pdbx_stereochemistry_target_values ? -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details ? -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_ML ? -_refine.overall_SU_B ? -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -# -_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_hist.cycle_id LAST -_refine_hist.pdbx_number_atoms_protein 909 -_refine_hist.pdbx_number_atoms_nucleic_acid 0 -_refine_hist.pdbx_number_atoms_ligand 6 -_refine_hist.number_atoms_solvent 189 -_refine_hist.number_atoms_total 1104 -_refine_hist.d_res_high 1.0 -_refine_hist.d_res_low . -# -_struct.entry_id 5PTI -_struct.title -'STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II' -_struct.pdbx_descriptor 'TRYPSIN INHIBITOR (CRYSTAL FORM II)' -_struct.pdbx_model_details ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 5PTI -_struct_keywords.pdbx_keywords 'PROTEINASE INHIBITOR (TRYPSIN)' -_struct_keywords.text 'PROTEINASE INHIBITOR (TRYPSIN)' -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 2 ? -C N N 3 ? -D N N 4 ? -# -_struct_biol.id 1 -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 H1 PRO A 2 ? GLU A 7 ? PRO A 2 GLU A 7 5 'ALL DONORS,ACCEPTORS INCLUDED' 6 -HELX_P HELX_P2 H2 SER A 47 ? GLY A 56 ? SER A 47 GLY A 56 1 'ALL DONORS,ACCEPTORS INCLUDED' 10 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -loop_ -_struct_conn.id -_struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id -_struct_conn.ptnr1_label_asym_id -_struct_conn.ptnr1_label_comp_id -_struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id -_struct_conn.ptnr1_symmetry -_struct_conn.ptnr2_label_asym_id -_struct_conn.ptnr2_label_comp_id -_struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id -_struct_conn.ptnr2_auth_asym_id -_struct_conn.ptnr2_auth_comp_id -_struct_conn.ptnr2_auth_seq_id -_struct_conn.ptnr2_symmetry -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_comp_id -_struct_conn.pdbx_ptnr3_label_asym_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details -_struct_conn.pdbx_dist_value -disulf1 disulf ? A CYS 5 SG ? ? ? 1_555 A CYS 55 SG ? ? A CYS 5 A CYS 55 1_555 ? ? ? ? ? ? ? 2.043 -disulf2 disulf ? A CYS 14 SG ? ? ? 1_555 A CYS 38 SG ? ? A CYS 14 A CYS 38 1_555 ? ? ? ? ? ? ? 2.030 -disulf3 disulf ? A CYS 30 SG ? ? ? 1_555 A CYS 51 SG ? ? A CYS 30 A CYS 51 1_555 ? ? ? ? ? ? ? 2.022 -# -_struct_conn_type.id disulf -_struct_conn_type.criteria ? -_struct_conn_type.reference ? -# -_struct_sheet.id S1 -_struct_sheet.type ? -_struct_sheet.number_strands 3 -_struct_sheet.details ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -S1 1 2 ? anti-parallel -S1 2 3 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -S1 1 LEU A 29 ? TYR A 35 ? ? LEU A 29 TYR A 35 -S1 2 ILE A 18 ? ASN A 24 ? ? ILE A 18 ASN A 24 -S1 3 PHE A 45 ? PHE A 45 ? ? PHE A 45 PHE A 45 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -S1 1 2 O TYR A 35 ? O TYR A 35 N ILE A 18 ? N ILE A 18 -S1 2 3 O TYR A 21 ? O TYR A 21 N PHE A 45 ? N PHE A 45 -# -loop_ -_struct_site.id -_struct_site.details -_struct_site.pdbx_evidence_code -AC1 'BINDING SITE FOR RESIDUE PO4 A 70' SOFTWARE -AC2 'BINDING SITE FOR RESIDUE UNX A 324' SOFTWARE -# -loop_ -_struct_site_gen.id -_struct_site_gen.site_id -_struct_site_gen.pdbx_num_res -_struct_site_gen.label_comp_id -_struct_site_gen.label_asym_id -_struct_site_gen.label_seq_id -_struct_site_gen.pdbx_auth_ins_code -_struct_site_gen.auth_comp_id -_struct_site_gen.auth_asym_id -_struct_site_gen.auth_seq_id -_struct_site_gen.label_atom_id -_struct_site_gen.label_alt_id -_struct_site_gen.symmetry -_struct_site_gen.details -1 AC1 5 ARG A 20 ? ARG A 20 . . 1_555 ? -2 AC1 5 TYR A 35 ? TYR A 35 . . 1_555 ? -3 AC1 5 LYS A 41 ? LYS A 41 . . 3_655 ? -4 AC1 5 DOD D . ? DOD A 140 . . 1_555 ? -5 AC1 5 DOD D . ? DOD A 157 . . 1_555 ? -6 AC2 3 TYR A 23 ? TYR A 23 . . 1_555 ? -7 AC2 3 CYS A 30 ? CYS A 30 . . 1_555 ? -8 AC2 3 MET A 52 ? MET A 52 . . 1_555 ? -# -_database_PDB_matrix.entry_id 5PTI -_database_PDB_matrix.origx[1][1] 0.013495 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 0.042735 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 0.034602 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_atom_sites.entry_id 5PTI -_atom_sites.Cartn_transform_axes ? -_atom_sites.fract_transf_matrix[1][1] 0.013495 -_atom_sites.fract_transf_matrix[1][2] 0.000000 -_atom_sites.fract_transf_matrix[1][3] 0.000000 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 0.042735 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 0.034602 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_sites_footnote.id -_atom_sites_footnote.text -1 -;THE ATOMS IN THE SIDE CHAIN OF RESIDUES GLU 7 AND MET 52 WERE FOUND TO OCCUPY TWO MAJOR SITES. THESE ATOMS ARE DENOTED WITH ALTERNATE LOCATION INDICATORS *A* AND *B*. -; -2 'HETATM UNK 324 IS PROBABLY A POTASSIUM ION IN A PARTIALLY OCCUPIED SITE.' -# -loop_ -_atom_type.symbol -N -C -O -D -H -S -P -X -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.Cartn_x_esd -_atom_site.Cartn_y_esd -_atom_site.Cartn_z_esd -_atom_site.occupancy_esd -_atom_site.B_iso_or_equiv_esd -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 N N . ARG A 1 1 ? 32.231 15.281 -13.143 1.00 28.28 ? ? ? ? ? ? 1 ARG A N 1 -ATOM 2 C CA . ARG A 1 1 ? 32.184 14.697 -11.772 1.00 27.90 ? ? ? ? ? ? 1 ARG A CA 1 -ATOM 3 C C . ARG A 1 1 ? 33.438 13.890 -11.387 1.00 24.90 ? ? ? ? ? ? 1 ARG A C 1 -ATOM 4 O O . ARG A 1 1 ? 34.102 13.070 -12.066 1.00 24.44 ? ? ? ? ? ? 1 ARG A O 1 -ATOM 5 C CB . ARG A 1 1 ? 30.797 14.065 -11.625 1.00 27.88 ? ? ? ? ? ? 1 ARG A CB 1 -ATOM 6 C CG . ARG A 1 1 ? 30.976 12.589 -11.819 1.00 29.61 ? ? ? ? ? ? 1 ARG A CG 1 -ATOM 7 C CD . ARG A 1 1 ? 29.608 12.016 -11.694 1.00 31.91 ? ? ? ? ? ? 1 ARG A CD 1 -ATOM 8 N NE . ARG A 1 1 ? 28.942 12.335 -12.945 1.00 33.51 ? ? ? ? ? ? 1 ARG A NE 1 -ATOM 9 C CZ . ARG A 1 1 ? 27.670 12.696 -13.050 1.00 34.29 ? ? ? ? ? ? 1 ARG A CZ 1 -ATOM 10 N NH1 . ARG A 1 1 ? 26.901 12.777 -11.999 1.00 34.48 ? ? ? ? ? ? 1 ARG A NH1 1 -ATOM 11 N NH2 . ARG A 1 1 ? 27.161 12.963 -14.255 1.00 35.44 ? ? ? ? ? ? 1 ARG A NH2 1 -ATOM 12 D D1 . ARG A 1 1 ? 32.983 14.824 -13.703 1.00 27.71 ? ? ? ? ? ? 1 ARG A D1 1 -ATOM 13 D D2 . ARG A 1 1 ? 31.275 15.112 -13.535 1.00 28.50 ? ? ? ? ? ? 1 ARG A D2 1 -ATOM 14 D D3 . ARG A 1 1 ? 32.174 16.346 -13.050 1.00 28.23 ? ? ? ? ? ? 1 ARG A D3 1 -ATOM 15 H HA . ARG A 1 1 ? 32.192 15.563 -11.115 1.00 26.97 ? ? ? ? ? ? 1 ARG A HA 1 -ATOM 16 H HB2 . ARG A 1 1 ? 30.392 14.428 -10.697 1.00 28.71 ? ? ? ? ? ? 1 ARG A HB2 1 -ATOM 17 H HB3 . ARG A 1 1 ? 30.182 14.438 -12.437 1.00 28.97 ? ? ? ? ? ? 1 ARG A HB3 1 -ATOM 18 H HG2 . ARG A 1 1 ? 31.369 12.359 -12.800 1.00 29.44 ? ? ? ? ? ? 1 ARG A HG2 1 -ATOM 19 H HG3 . ARG A 1 1 ? 31.591 12.143 -11.105 1.00 29.52 ? ? ? ? ? ? 1 ARG A HG3 1 -ATOM 20 H HD2 . ARG A 1 1 ? 29.656 10.965 -11.482 1.00 31.41 ? ? ? ? ? ? 1 ARG A HD2 1 -ATOM 21 H HD3 . ARG A 1 1 ? 29.218 12.381 -10.794 1.00 31.29 ? ? ? ? ? ? 1 ARG A HD3 1 -ATOM 22 D DE . ARG A 1 1 ? 29.457 12.292 -13.843 1.00 34.62 ? ? ? ? ? ? 1 ARG A DE 1 -ATOM 23 D DH11 . ARG A 1 1 ? 25.930 13.038 -12.118 1.00 34.80 ? ? ? ? ? ? 1 ARG A DH11 1 -ATOM 24 D DH12 . ARG A 1 1 ? 27.324 12.549 -11.100 1.00 34.71 ? ? ? ? ? ? 1 ARG A DH12 1 -ATOM 25 D DH21 . ARG A 1 1 ? 27.786 12.886 -15.076 1.00 33.93 ? ? ? ? ? ? 1 ARG A DH21 1 -ATOM 26 D DH22 . ARG A 1 1 ? 26.154 13.214 -14.269 1.00 34.53 ? ? ? ? ? ? 1 ARG A DH22 1 -ATOM 27 N N . PRO A 1 2 ? 33.738 14.173 -10.126 1.00 22.41 ? ? ? ? ? ? 2 PRO A N 1 -ATOM 28 C CA . PRO A 1 2 ? 34.897 13.603 -9.390 1.00 19.52 ? ? ? ? ? ? 2 PRO A CA 1 -ATOM 29 C C . PRO A 1 2 ? 34.652 12.135 -9.374 1.00 17.70 ? ? ? ? ? ? 2 PRO A C 1 -ATOM 30 O O . PRO A 1 2 ? 33.583 11.537 -9.255 1.00 16.41 ? ? ? ? ? ? 2 PRO A O 1 -ATOM 31 C CB . PRO A 1 2 ? 34.826 14.292 -8.056 1.00 21.00 ? ? ? ? ? ? 2 PRO A CB 1 -ATOM 32 C CG . PRO A 1 2 ? 33.927 15.515 -8.135 1.00 20.91 ? ? ? ? ? ? 2 PRO A CG 1 -ATOM 33 C CD . PRO A 1 2 ? 32.967 15.143 -9.243 1.00 22.49 ? ? ? ? ? ? 2 PRO A CD 1 -ATOM 34 H HA . PRO A 1 2 ? 35.676 14.152 -9.928 1.00 20.45 ? ? ? ? ? ? 2 PRO A HA 1 -ATOM 35 H HB2 . PRO A 1 2 ? 34.431 13.672 -7.369 1.00 19.62 ? ? ? ? ? ? 2 PRO A HB2 1 -ATOM 36 H HB3 . PRO A 1 2 ? 35.763 14.517 -7.635 1.00 20.71 ? ? ? ? ? ? 2 PRO A HB3 1 -ATOM 37 H HG2 . PRO A 1 2 ? 33.695 15.873 -7.330 1.00 21.92 ? ? ? ? ? ? 2 PRO A HG2 1 -ATOM 38 H HG3 . PRO A 1 2 ? 34.491 16.303 -8.682 1.00 21.93 ? ? ? ? ? ? 2 PRO A HG3 1 -ATOM 39 H HD2 . PRO A 1 2 ? 32.028 14.742 -9.058 1.00 22.01 ? ? ? ? ? ? 2 PRO A HD2 1 -ATOM 40 H HD3 . PRO A 1 2 ? 32.880 16.031 -9.875 1.00 22.06 ? ? ? ? ? ? 2 PRO A HD3 1 -ATOM 41 N N . ASP A 1 3 ? 35.790 11.466 -9.466 1.00 16.15 ? ? ? ? ? ? 3 ASP A N 1 -ATOM 42 C CA . ASP A 1 3 ? 35.837 10.014 -9.507 1.00 17.15 ? ? ? ? ? ? 3 ASP A CA 1 -ATOM 43 C C . ASP A 1 3 ? 35.296 9.402 -8.236 1.00 13.33 ? ? ? ? ? ? 3 ASP A C 1 -ATOM 44 O O . ASP A 1 3 ? 34.812 8.288 -8.260 1.00 12.36 ? ? ? ? ? ? 3 ASP A O 1 -ATOM 45 C CB . ASP A 1 3 ? 37.124 9.634 -10.244 1.00 24.92 ? ? ? ? ? ? 3 ASP A CB 1 -ATOM 46 C CG . ASP A 1 3 ? 36.968 9.957 -11.773 1.00 31.50 ? ? ? ? ? ? 3 ASP A CG 1 -ATOM 47 O OD1 . ASP A 1 3 ? 37.083 11.141 -12.174 1.00 35.71 ? ? ? ? ? ? 3 ASP A OD1 1 -ATOM 48 O OD2 . ASP A 1 3 ? 36.712 9.158 -12.735 1.00 35.43 ? ? ? ? ? ? 3 ASP A OD2 1 -ATOM 49 D D . ASP A 1 3 ? 36.688 11.887 -9.571 1.00 17.62 ? ? ? ? ? ? 3 ASP A D 1 -ATOM 50 H HA . ASP A 1 3 ? 35.144 9.745 -10.321 1.00 17.24 ? ? ? ? ? ? 3 ASP A HA 1 -ATOM 51 H HB2 . ASP A 1 3 ? 37.980 10.245 -10.070 1.00 24.71 ? ? ? ? ? ? 3 ASP A HB2 1 -ATOM 52 H HB3 . ASP A 1 3 ? 37.455 8.626 -10.132 1.00 24.82 ? ? ? ? ? ? 3 ASP A HB3 1 -ATOM 53 N N . PHE A 1 4 ? 35.466 10.210 -7.174 1.00 12.38 ? ? ? ? ? ? 4 PHE A N 1 -ATOM 54 C CA . PHE A 1 4 ? 34.975 9.704 -5.855 1.00 13.61 ? ? ? ? ? ? 4 PHE A CA 1 -ATOM 55 C C . PHE A 1 4 ? 33.438 9.514 -5.843 1.00 13.10 ? ? ? ? ? ? 4 PHE A C 1 -ATOM 56 O O . PHE A 1 4 ? 32.937 8.733 -5.020 1.00 13.82 ? ? ? ? ? ? 4 PHE A O 1 -ATOM 57 C CB . PHE A 1 4 ? 35.435 10.423 -4.613 1.00 12.65 ? ? ? ? ? ? 4 PHE A CB 1 -ATOM 58 C CG . PHE A 1 4 ? 34.960 11.819 -4.512 1.00 12.81 ? ? ? ? ? ? 4 PHE A CG 1 -ATOM 59 C CD1 . PHE A 1 4 ? 33.708 12.036 -3.946 1.00 12.38 ? ? ? ? ? ? 4 PHE A CD1 1 -ATOM 60 C CD2 . PHE A 1 4 ? 35.717 12.897 -4.923 1.00 13.29 ? ? ? ? ? ? 4 PHE A CD2 1 -ATOM 61 C CE1 . PHE A 1 4 ? 33.249 13.321 -3.826 1.00 14.62 ? ? ? ? ? ? 4 PHE A CE1 1 -ATOM 62 C CE2 . PHE A 1 4 ? 35.276 14.180 -4.764 1.00 14.01 ? ? ? ? ? ? 4 PHE A CE2 1 -ATOM 63 C CZ . PHE A 1 4 ? 33.998 14.423 -4.229 1.00 13.69 ? ? ? ? ? ? 4 PHE A CZ 1 -ATOM 64 D D . PHE A 1 4 ? 35.855 11.106 -7.148 1.00 12.61 ? ? ? ? ? ? 4 PHE A D 1 -ATOM 65 H HA . PHE A 1 4 ? 35.473 8.781 -5.789 1.00 13.11 ? ? ? ? ? ? 4 PHE A HA 1 -ATOM 66 H HB2 . PHE A 1 4 ? 34.977 9.863 -3.723 1.00 13.10 ? ? ? ? ? ? 4 PHE A HB2 1 -ATOM 67 H HB3 . PHE A 1 4 ? 36.455 10.163 -4.400 1.00 13.31 ? ? ? ? ? ? 4 PHE A HB3 1 -ATOM 68 H HD1 . PHE A 1 4 ? 33.150 11.213 -3.635 1.00 13.03 ? ? ? ? ? ? 4 PHE A HD1 1 -ATOM 69 H HD2 . PHE A 1 4 ? 36.680 12.699 -5.370 1.00 12.63 ? ? ? ? ? ? 4 PHE A HD2 1 -ATOM 70 H HE1 . PHE A 1 4 ? 32.321 13.499 -3.366 1.00 13.29 ? ? ? ? ? ? 4 PHE A HE1 1 -ATOM 71 H HE2 . PHE A 1 4 ? 35.758 15.036 -5.065 1.00 13.88 ? ? ? ? ? ? 4 PHE A HE2 1 -ATOM 72 H HZ . PHE A 1 4 ? 33.588 15.411 -4.093 1.00 14.46 ? ? ? ? ? ? 4 PHE A HZ 1 -ATOM 73 N N . CYS A 1 5 ? 32.757 10.236 -6.732 1.00 12.49 ? ? ? ? ? ? 5 CYS A N 1 -ATOM 74 C CA . CYS A 1 5 ? 31.286 10.029 -6.794 1.00 10.18 ? ? ? ? ? ? 5 CYS A CA 1 -ATOM 75 C C . CYS A 1 5 ? 30.864 8.652 -7.254 1.00 10.29 ? ? ? ? ? ? 5 CYS A C 1 -ATOM 76 O O . CYS A 1 5 ? 29.690 8.279 -7.116 1.00 10.73 ? ? ? ? ? ? 5 CYS A O 1 -ATOM 77 C CB . CYS A 1 5 ? 30.794 11.065 -7.789 1.00 10.74 ? ? ? ? ? ? 5 CYS A CB 1 -ATOM 78 S SG . CYS A 1 5 ? 31.075 12.797 -7.325 1.00 12.66 ? ? ? ? ? ? 5 CYS A SG 1 -ATOM 79 D D . CYS A 1 5 ? 33.206 10.888 -7.363 1.00 12.80 ? ? ? ? ? ? 5 CYS A D 1 -ATOM 80 H HA . CYS A 1 5 ? 30.964 10.266 -5.800 1.00 10.82 ? ? ? ? ? ? 5 CYS A HA 1 -ATOM 81 H HB2 . CYS A 1 5 ? 31.501 10.869 -8.603 1.00 11.04 ? ? ? ? ? ? 5 CYS A HB2 1 -ATOM 82 H HB3 . CYS A 1 5 ? 29.793 10.892 -8.171 1.00 10.88 ? ? ? ? ? ? 5 CYS A HB3 1 -ATOM 83 N N . LEU A 1 6 ? 31.740 7.909 -7.843 1.00 10.75 ? ? ? ? ? ? 6 LEU A N 1 -ATOM 84 C CA . LEU A 1 6 ? 31.467 6.583 -8.351 1.00 12.75 ? ? ? ? ? ? 6 LEU A CA 1 -ATOM 85 C C . LEU A 1 6 ? 31.799 5.589 -7.246 1.00 13.85 ? ? ? ? ? ? 6 LEU A C 1 -ATOM 86 O O . LEU A 1 6 ? 31.435 4.425 -7.543 1.00 15.33 ? ? ? ? ? ? 6 LEU A O 1 -ATOM 87 C CB . LEU A 1 6 ? 32.345 6.258 -9.563 1.00 14.73 ? ? ? ? ? ? 6 LEU A CB 1 -ATOM 88 C CG . LEU A 1 6 ? 32.299 7.212 -10.787 1.00 16.78 ? ? ? ? ? ? 6 LEU A CG 1 -ATOM 89 C CD1 . LEU A 1 6 ? 33.160 6.693 -11.917 1.00 17.42 ? ? ? ? ? ? 6 LEU A CD1 1 -ATOM 90 C CD2 . LEU A 1 6 ? 30.881 7.341 -11.280 1.00 16.88 ? ? ? ? ? ? 6 LEU A CD2 1 -ATOM 91 D D . LEU A 1 6 ? 32.679 8.218 -7.970 1.00 11.34 ? ? ? ? ? ? 6 LEU A D 1 -ATOM 92 H HA . LEU A 1 6 ? 30.422 6.406 -8.558 1.00 13.62 ? ? ? ? ? ? 6 LEU A HA 1 -ATOM 93 H HB2 . LEU A 1 6 ? 33.392 6.256 -9.245 1.00 14.22 ? ? ? ? ? ? 6 LEU A HB2 1 -ATOM 94 H HB3 . LEU A 1 6 ? 32.141 5.230 -9.918 1.00 14.86 ? ? ? ? ? ? 6 LEU A HB3 1 -ATOM 95 H HG . LEU A 1 6 ? 32.550 8.192 -10.401 1.00 16.74 ? ? ? ? ? ? 6 LEU A HG 1 -ATOM 96 H HD11 . LEU A 1 6 ? 34.189 6.620 -11.585 1.00 17.89 ? ? ? ? ? ? 6 LEU A HD11 1 -ATOM 97 H HD12 . LEU A 1 6 ? 32.719 5.718 -12.170 1.00 17.82 ? ? ? ? ? ? 6 LEU A HD12 1 -ATOM 98 H HD13 . LEU A 1 6 ? 33.064 7.391 -12.752 1.00 17.88 ? ? ? ? ? ? 6 LEU A HD13 1 -ATOM 99 H HD21 . LEU A 1 6 ? 30.328 6.553 -10.667 1.00 16.77 ? ? ? ? ? ? 6 LEU A HD21 1 -ATOM 100 H HD22 . LEU A 1 6 ? 30.078 8.051 -11.126 1.00 17.21 ? ? ? ? ? ? 6 LEU A HD22 1 -ATOM 101 H HD23 . LEU A 1 6 ? 30.861 7.064 -12.332 1.00 16.98 ? ? ? ? ? ? 6 LEU A HD23 1 -ATOM 102 N N . GLU A 1 7 ? 32.397 5.971 -6.128 1.00 12.79 ? ? ? ? ? ? 7 GLU A N 1 -ATOM 103 C CA . GLU A 1 7 ? 32.663 4.924 -5.112 1.00 15.64 ? ? ? ? ? ? 7 GLU A CA 1 -ATOM 104 C C . GLU A 1 7 ? 31.435 4.576 -4.301 1.00 12.90 ? ? ? ? ? ? 7 GLU A C 1 -ATOM 105 O O . GLU A 1 7 ? 30.565 5.427 -4.120 1.00 12.97 ? ? ? ? ? ? 7 GLU A O 1 -ATOM 106 C CB A GLU A 1 7 ? 33.865 5.265 -4.204 0.50 17.43 ? ? ? ? ? ? 7 GLU A CB 1 -ATOM 107 C CB B GLU A 1 7 ? 34.000 4.971 -4.371 0.50 15.43 ? ? ? ? ? ? 7 GLU A CB 1 -ATOM 108 C CG A GLU A 1 7 ? 34.117 6.694 -3.781 0.50 19.72 ? ? ? ? ? ? 7 GLU A CG 1 -ATOM 109 C CG B GLU A 1 7 ? 35.189 5.031 -5.331 0.50 15.96 ? ? ? ? ? ? 7 GLU A CG 1 -ATOM 110 C CD A GLU A 1 7 ? 34.935 7.120 -2.561 0.50 20.46 ? ? ? ? ? ? 7 GLU A CD 1 -ATOM 111 C CD B GLU A 1 7 ? 35.814 3.742 -5.819 0.50 16.40 ? ? ? ? ? ? 7 GLU A CD 1 -ATOM 112 O OE1 A GLU A 1 7 ? 36.104 6.753 -2.502 0.50 22.37 ? ? ? ? ? ? 7 GLU A OE1 1 -ATOM 113 O OE1 B GLU A 1 7 ? 35.348 2.965 -6.631 0.50 16.49 ? ? ? ? ? ? 7 GLU A OE1 1 -ATOM 114 O OE2 A GLU A 1 7 ? 34.267 7.823 -1.815 0.50 18.99 ? ? ? ? ? ? 7 GLU A OE2 1 -ATOM 115 O OE2 B GLU A 1 7 ? 35.846 2.854 -4.979 0.50 16.88 ? ? ? ? ? ? 7 GLU A OE2 1 -ATOM 116 D D . GLU A 1 7 ? 32.631 6.879 -5.916 1.00 13.33 ? ? ? ? ? ? 7 GLU A D 1 -ATOM 117 H HA . GLU A 1 7 ? 32.837 4.055 -5.770 1.00 14.63 ? ? ? ? ? ? 7 GLU A HA 1 -ATOM 118 H HB2 A GLU A 1 7 ? 33.913 4.637 -3.325 0.50 18.60 ? ? ? ? ? ? 7 GLU A HB2 1 -ATOM 119 H HB2 B GLU A 1 7 ? 34.007 5.833 -3.693 0.50 15.91 ? ? ? ? ? ? 7 GLU A HB2 1 -ATOM 120 H HB3 A GLU A 1 7 ? 34.757 4.929 -4.809 0.50 17.98 ? ? ? ? ? ? 7 GLU A HB3 1 -ATOM 121 H HB3 B GLU A 1 7 ? 34.147 4.095 -3.748 0.50 15.98 ? ? ? ? ? ? 7 GLU A HB3 1 -ATOM 122 H HG2 A GLU A 1 7 ? 34.689 7.248 -4.538 0.50 19.95 ? ? ? ? ? ? 7 GLU A HG2 1 -ATOM 123 H HG2 B GLU A 1 7 ? 34.911 5.551 -6.241 0.50 15.98 ? ? ? ? ? ? 7 GLU A HG2 1 -ATOM 124 H HG3 A GLU A 1 7 ? 33.221 7.296 -3.671 0.50 19.64 ? ? ? ? ? ? 7 GLU A HG3 1 -ATOM 125 H HG3 B GLU A 1 7 ? 35.976 5.605 -4.862 0.50 16.05 ? ? ? ? ? ? 7 GLU A HG3 1 -ATOM 126 N N . PRO A 1 8 ? 31.351 3.333 -3.911 1.00 13.23 ? ? ? ? ? ? 8 PRO A N 1 -ATOM 127 C CA . PRO A 1 8 ? 30.224 2.852 -3.086 1.00 13.50 ? ? ? ? ? ? 8 PRO A CA 1 -ATOM 128 C C . PRO A 1 8 ? 30.334 3.516 -1.707 1.00 12.26 ? ? ? ? ? ? 8 PRO A C 1 -ATOM 129 O O . PRO A 1 8 ? 31.391 3.997 -1.293 1.00 11.77 ? ? ? ? ? ? 8 PRO A O 1 -ATOM 130 C CB . PRO A 1 8 ? 30.283 1.334 -2.995 1.00 15.10 ? ? ? ? ? ? 8 PRO A CB 1 -ATOM 131 C CG . PRO A 1 8 ? 31.757 1.097 -3.199 1.00 16.05 ? ? ? ? ? ? 8 PRO A CG 1 -ATOM 132 C CD . PRO A 1 8 ? 32.313 2.218 -4.085 1.00 15.37 ? ? ? ? ? ? 8 PRO A CD 1 -ATOM 133 H HA . PRO A 1 8 ? 29.270 3.086 -3.515 1.00 13.91 ? ? ? ? ? ? 8 PRO A HA 1 -ATOM 134 H HB2 . PRO A 1 8 ? 29.909 0.979 -2.059 1.00 15.27 ? ? ? ? ? ? 8 PRO A HB2 1 -ATOM 135 H HB3 . PRO A 1 8 ? 29.773 0.877 -3.721 1.00 15.88 ? ? ? ? ? ? 8 PRO A HB3 1 -ATOM 136 H HG2 . PRO A 1 8 ? 32.262 1.339 -2.263 1.00 15.42 ? ? ? ? ? ? 8 PRO A HG2 1 -ATOM 137 H HG3 . PRO A 1 8 ? 31.885 0.245 -3.473 1.00 15.73 ? ? ? ? ? ? 8 PRO A HG3 1 -ATOM 138 H HD2 . PRO A 1 8 ? 33.271 2.433 -3.655 1.00 14.70 ? ? ? ? ? ? 8 PRO A HD2 1 -ATOM 139 H HD3 . PRO A 1 8 ? 32.442 2.084 -5.129 1.00 13.81 ? ? ? ? ? ? 8 PRO A HD3 1 -ATOM 140 N N . PRO A 1 9 ? 29.200 3.631 -1.017 1.00 11.39 ? ? ? ? ? ? 9 PRO A N 1 -ATOM 141 C CA . PRO A 1 9 ? 29.160 4.238 0.321 1.00 11.12 ? ? ? ? ? ? 9 PRO A CA 1 -ATOM 142 C C . PRO A 1 9 ? 29.993 3.377 1.274 1.00 10.17 ? ? ? ? ? ? 9 PRO A C 1 -ATOM 143 O O . PRO A 1 9 ? 30.074 2.152 1.156 1.00 12.88 ? ? ? ? ? ? 9 PRO A O 1 -ATOM 144 C CB . PRO A 1 9 ? 27.687 4.418 0.604 1.00 11.43 ? ? ? ? ? ? 9 PRO A CB 1 -ATOM 145 C CG . PRO A 1 9 ? 27.075 3.186 -0.051 1.00 12.21 ? ? ? ? ? ? 9 PRO A CG 1 -ATOM 146 C CD . PRO A 1 9 ? 27.842 3.087 -1.403 1.00 11.84 ? ? ? ? ? ? 9 PRO A CD 1 -ATOM 147 H HA . PRO A 1 9 ? 29.948 4.895 0.524 1.00 11.67 ? ? ? ? ? ? 9 PRO A HA 1 -ATOM 148 H HB2 . PRO A 1 9 ? 27.561 4.500 1.669 1.00 11.73 ? ? ? ? ? ? 9 PRO A HB2 1 -ATOM 149 H HB3 . PRO A 1 9 ? 27.101 5.216 0.385 1.00 11.99 ? ? ? ? ? ? 9 PRO A HB3 1 -ATOM 150 H HG2 . PRO A 1 9 ? 27.438 2.371 0.555 1.00 12.56 ? ? ? ? ? ? 9 PRO A HG2 1 -ATOM 151 H HG3 . PRO A 1 9 ? 26.185 3.227 -0.191 1.00 12.62 ? ? ? ? ? ? 9 PRO A HG3 1 -ATOM 152 H HD2 . PRO A 1 9 ? 28.020 2.060 -1.684 1.00 12.42 ? ? ? ? ? ? 9 PRO A HD2 1 -ATOM 153 H HD3 . PRO A 1 9 ? 27.381 3.649 -2.145 1.00 12.15 ? ? ? ? ? ? 9 PRO A HD3 1 -ATOM 154 N N . TYR A 1 10 ? 30.651 4.022 2.200 1.00 9.53 ? ? ? ? ? ? 10 TYR A N 1 -ATOM 155 C CA . TYR A 1 10 ? 31.512 3.320 3.156 1.00 10.73 ? ? ? ? ? ? 10 TYR A CA 1 -ATOM 156 C C . TYR A 1 10 ? 31.044 3.577 4.617 1.00 9.35 ? ? ? ? ? ? 10 TYR A C 1 -ATOM 157 O O . TYR A 1 10 ? 31.146 4.687 5.117 1.00 9.61 ? ? ? ? ? ? 10 TYR A O 1 -ATOM 158 C CB . TYR A 1 10 ? 32.937 3.888 2.901 1.00 12.55 ? ? ? ? ? ? 10 TYR A CB 1 -ATOM 159 C CG . TYR A 1 10 ? 33.970 3.270 3.808 1.00 14.36 ? ? ? ? ? ? 10 TYR A CG 1 -ATOM 160 C CD1 . TYR A 1 10 ? 34.254 1.932 3.622 1.00 16.08 ? ? ? ? ? ? 10 TYR A CD1 1 -ATOM 161 C CD2 . TYR A 1 10 ? 34.619 4.002 4.797 1.00 14.93 ? ? ? ? ? ? 10 TYR A CD2 1 -ATOM 162 C CE1 . TYR A 1 10 ? 35.226 1.305 4.406 1.00 16.73 ? ? ? ? ? ? 10 TYR A CE1 1 -ATOM 163 C CE2 . TYR A 1 10 ? 35.621 3.422 5.573 1.00 15.90 ? ? ? ? ? ? 10 TYR A CE2 1 -ATOM 164 C CZ . TYR A 1 10 ? 35.896 2.071 5.383 1.00 17.33 ? ? ? ? ? ? 10 TYR A CZ 1 -ATOM 165 O OH . TYR A 1 10 ? 36.861 1.438 6.195 1.00 19.17 ? ? ? ? ? ? 10 TYR A OH 1 -ATOM 166 D D . TYR A 1 10 ? 30.552 5.011 2.208 1.00 11.16 ? ? ? ? ? ? 10 TYR A D 1 -ATOM 167 H HA . TYR A 1 10 ? 31.496 2.274 3.038 1.00 9.89 ? ? ? ? ? ? 10 TYR A HA 1 -ATOM 168 H HB2 . TYR A 1 10 ? 33.209 3.682 1.839 1.00 12.54 ? ? ? ? ? ? 10 TYR A HB2 1 -ATOM 169 H HB3 . TYR A 1 10 ? 32.886 4.980 2.956 1.00 13.38 ? ? ? ? ? ? 10 TYR A HB3 1 -ATOM 170 H HD1 . TYR A 1 10 ? 33.815 1.318 2.852 1.00 15.57 ? ? ? ? ? ? 10 TYR A HD1 1 -ATOM 171 H HD2 . TYR A 1 10 ? 34.400 5.053 4.955 1.00 15.82 ? ? ? ? ? ? 10 TYR A HD2 1 -ATOM 172 H HE1 . TYR A 1 10 ? 35.521 0.270 4.282 1.00 17.01 ? ? ? ? ? ? 10 TYR A HE1 1 -ATOM 173 H HE2 . TYR A 1 10 ? 36.108 3.926 6.391 1.00 16.44 ? ? ? ? ? ? 10 TYR A HE2 1 -ATOM 174 D DH . TYR A 1 10 ? 37.454 0.912 5.573 1.00 18.49 ? ? ? ? ? ? 10 TYR A DH 1 -ATOM 175 N N . THR A 1 11 ? 30.520 2.576 5.235 1.00 10.38 ? ? ? ? ? ? 11 THR A N 1 -ATOM 176 C CA . THR A 1 11 ? 30.045 2.720 6.641 1.00 12.46 ? ? ? ? ? ? 11 THR A CA 1 -ATOM 177 C C . THR A 1 11 ? 31.223 2.838 7.584 1.00 11.29 ? ? ? ? ? ? 11 THR A C 1 -ATOM 178 O O . THR A 1 11 ? 31.192 3.641 8.497 1.00 11.82 ? ? ? ? ? ? 11 THR A O 1 -ATOM 179 C CB . THR A 1 11 ? 29.228 1.496 7.037 1.00 13.67 ? ? ? ? ? ? 11 THR A CB 1 -ATOM 180 O OG1 . THR A 1 11 ? 28.069 1.656 6.232 1.00 15.23 ? ? ? ? ? ? 11 THR A OG1 1 -ATOM 181 C CG2 . THR A 1 11 ? 28.852 1.446 8.517 1.00 14.27 ? ? ? ? ? ? 11 THR A CG2 1 -ATOM 182 D D . THR A 1 11 ? 30.436 1.643 4.870 1.00 10.49 ? ? ? ? ? ? 11 THR A D 1 -ATOM 183 H HA . THR A 1 11 ? 29.423 3.601 6.562 1.00 11.61 ? ? ? ? ? ? 11 THR A HA 1 -ATOM 184 H HB . THR A 1 11 ? 29.870 0.631 6.788 1.00 14.33 ? ? ? ? ? ? 11 THR A HB 1 -ATOM 185 D DG1 . THR A 1 11 ? 27.430 2.351 6.648 1.00 13.46 ? ? ? ? ? ? 11 THR A DG1 1 -ATOM 186 H HG21 . THR A 1 11 ? 28.326 2.341 8.826 1.00 14.24 ? ? ? ? ? ? 11 THR A HG21 1 -ATOM 187 H HG22 . THR A 1 11 ? 28.145 0.662 8.885 1.00 14.01 ? ? ? ? ? ? 11 THR A HG22 1 -ATOM 188 H HG23 . THR A 1 11 ? 29.753 1.305 9.111 1.00 14.17 ? ? ? ? ? ? 11 THR A HG23 1 -ATOM 189 N N . GLY A 1 12 ? 32.251 2.091 7.350 1.00 12.43 ? ? ? ? ? ? 12 GLY A N 1 -ATOM 190 C CA . GLY A 1 12 ? 33.523 2.128 8.130 1.00 13.15 ? ? ? ? ? ? 12 GLY A CA 1 -ATOM 191 C C . GLY A 1 12 ? 33.399 1.159 9.309 1.00 12.80 ? ? ? ? ? ? 12 GLY A C 1 -ATOM 192 O O . GLY A 1 12 ? 32.437 0.461 9.511 1.00 12.30 ? ? ? ? ? ? 12 GLY A O 1 -ATOM 193 D D . GLY A 1 12 ? 32.396 1.396 6.648 1.00 13.32 ? ? ? ? ? ? 12 GLY A D 1 -ATOM 194 H HA2 . GLY A 1 12 ? 34.329 1.947 7.445 1.00 12.98 ? ? ? ? ? ? 12 GLY A HA2 1 -ATOM 195 H HA3 . GLY A 1 12 ? 33.702 3.161 8.474 1.00 12.73 ? ? ? ? ? ? 12 GLY A HA3 1 -ATOM 196 N N . PRO A 1 13 ? 34.502 1.082 10.072 1.00 14.49 ? ? ? ? ? ? 13 PRO A N 1 -ATOM 197 C CA . PRO A 1 13 ? 34.519 0.168 11.227 1.00 13.95 ? ? ? ? ? ? 13 PRO A CA 1 -ATOM 198 C C . PRO A 1 13 ? 33.916 0.539 12.596 1.00 13.29 ? ? ? ? ? ? 13 PRO A C 1 -ATOM 199 O O . PRO A 1 13 ? 33.930 -0.237 13.544 1.00 14.10 ? ? ? ? ? ? 13 PRO A O 1 -ATOM 200 C CB . PRO A 1 13 ? 36.012 -0.082 11.370 1.00 13.23 ? ? ? ? ? ? 13 PRO A CB 1 -ATOM 201 C CG . PRO A 1 13 ? 36.631 1.239 10.992 1.00 14.60 ? ? ? ? ? ? 13 PRO A CG 1 -ATOM 202 C CD . PRO A 1 13 ? 35.765 1.879 9.928 1.00 13.98 ? ? ? ? ? ? 13 PRO A CD 1 -ATOM 203 H HA . PRO A 1 13 ? 33.847 -0.643 11.074 1.00 14.35 ? ? ? ? ? ? 13 PRO A HA 1 -ATOM 204 H HB2 . PRO A 1 13 ? 36.119 -0.140 12.472 1.00 14.34 ? ? ? ? ? ? 13 PRO A HB2 1 -ATOM 205 H HB3 . PRO A 1 13 ? 36.450 -0.937 11.151 1.00 15.01 ? ? ? ? ? ? 13 PRO A HB3 1 -ATOM 206 H HG2 . PRO A 1 13 ? 36.465 1.829 11.916 1.00 14.42 ? ? ? ? ? ? 13 PRO A HG2 1 -ATOM 207 H HG3 . PRO A 1 13 ? 37.553 1.200 10.948 1.00 14.14 ? ? ? ? ? ? 13 PRO A HG3 1 -ATOM 208 H HD2 . PRO A 1 13 ? 35.329 2.839 10.245 1.00 15.29 ? ? ? ? ? ? 13 PRO A HD2 1 -ATOM 209 H HD3 . PRO A 1 13 ? 36.248 1.923 9.001 1.00 14.83 ? ? ? ? ? ? 13 PRO A HD3 1 -ATOM 210 N N . CYS A 1 14 ? 33.434 1.727 12.750 1.00 12.13 ? ? ? ? ? ? 14 CYS A N 1 -ATOM 211 C CA . CYS A 1 14 ? 32.817 2.337 13.956 1.00 13.10 ? ? ? ? ? ? 14 CYS A CA 1 -ATOM 212 C C . CYS A 1 14 ? 31.326 1.931 13.983 1.00 14.28 ? ? ? ? ? ? 14 CYS A C 1 -ATOM 213 O O . CYS A 1 14 ? 30.770 1.555 12.956 1.00 14.31 ? ? ? ? ? ? 14 CYS A O 1 -ATOM 214 C CB . CYS A 1 14 ? 33.176 3.792 14.087 1.00 11.97 ? ? ? ? ? ? 14 CYS A CB 1 -ATOM 215 S SG . CYS A 1 14 ? 34.877 4.044 14.560 1.00 12.63 ? ? ? ? ? ? 14 CYS A SG 1 -ATOM 216 D D . CYS A 1 14 ? 33.427 2.362 11.996 1.00 13.25 ? ? ? ? ? ? 14 CYS A D 1 -ATOM 217 H HA . CYS A 1 14 ? 33.224 1.848 14.827 1.00 13.16 ? ? ? ? ? ? 14 CYS A HA 1 -ATOM 218 H HB2 . CYS A 1 14 ? 33.021 4.260 13.114 1.00 13.49 ? ? ? ? ? ? 14 CYS A HB2 1 -ATOM 219 H HB3 . CYS A 1 14 ? 32.555 4.350 14.792 1.00 13.18 ? ? ? ? ? ? 14 CYS A HB3 1 -ATOM 220 N N . LYS A 1 15 ? 30.797 1.938 15.212 1.00 15.59 ? ? ? ? ? ? 15 LYS A N 1 -ATOM 221 C CA . LYS A 1 15 ? 29.455 1.371 15.454 1.00 16.40 ? ? ? ? ? ? 15 LYS A CA 1 -ATOM 222 C C . LYS A 1 15 ? 28.360 2.334 15.735 1.00 14.53 ? ? ? ? ? ? 15 LYS A C 1 -ATOM 223 O O . LYS A 1 15 ? 27.329 1.956 16.299 1.00 16.12 ? ? ? ? ? ? 15 LYS A O 1 -ATOM 224 C CB . LYS A 1 15 ? 29.669 0.354 16.551 1.00 20.41 ? ? ? ? ? ? 15 LYS A CB 1 -ATOM 225 C CG . LYS A 1 15 ? 30.972 -0.476 16.541 1.00 23.07 ? ? ? ? ? ? 15 LYS A CG 1 -ATOM 226 C CD . LYS A 1 15 ? 30.959 -1.503 15.478 1.00 26.62 ? ? ? ? ? ? 15 LYS A CD 1 -ATOM 227 C CE . LYS A 1 15 ? 32.296 -2.170 15.136 1.00 30.12 ? ? ? ? ? ? 15 LYS A CE 1 -ATOM 228 N NZ . LYS A 1 15 ? 31.836 -3.309 14.215 1.00 33.66 ? ? ? ? ? ? 15 LYS A NZ 1 -ATOM 229 D D . LYS A 1 15 ? 31.295 2.148 16.031 1.00 14.44 ? ? ? ? ? ? 15 LYS A D 1 -ATOM 230 H HA . LYS A 1 15 ? 29.255 0.802 14.539 1.00 16.86 ? ? ? ? ? ? 15 LYS A HA 1 -ATOM 231 H HB2 . LYS A 1 15 ? 29.799 0.904 17.523 1.00 20.00 ? ? ? ? ? ? 15 LYS A HB2 1 -ATOM 232 H HB3 . LYS A 1 15 ? 28.831 -0.272 16.908 1.00 19.65 ? ? ? ? ? ? 15 LYS A HB3 1 -ATOM 233 H HG2 . LYS A 1 15 ? 31.824 0.190 16.751 1.00 23.69 ? ? ? ? ? ? 15 LYS A HG2 1 -ATOM 234 H HG3 . LYS A 1 15 ? 30.934 -0.947 17.555 1.00 23.35 ? ? ? ? ? ? 15 LYS A HG3 1 -ATOM 235 H HD2 . LYS A 1 15 ? 30.314 -2.379 15.590 1.00 26.65 ? ? ? ? ? ? 15 LYS A HD2 1 -ATOM 236 H HD3 . LYS A 1 15 ? 30.655 -1.058 14.485 1.00 26.43 ? ? ? ? ? ? 15 LYS A HD3 1 -ATOM 237 H HE2 . LYS A 1 15 ? 32.766 -1.611 14.351 1.00 30.52 ? ? ? ? ? ? 15 LYS A HE2 1 -ATOM 238 H HE3 . LYS A 1 15 ? 32.769 -2.717 15.928 1.00 30.42 ? ? ? ? ? ? 15 LYS A HE3 1 -ATOM 239 D DZ1 . LYS A 1 15 ? 31.352 -2.960 13.354 1.00 32.81 ? ? ? ? ? ? 15 LYS A DZ1 1 -ATOM 240 D DZ2 . LYS A 1 15 ? 32.722 -3.881 14.018 1.00 33.31 ? ? ? ? ? ? 15 LYS A DZ2 1 -ATOM 241 D DZ3 . LYS A 1 15 ? 31.212 -4.018 14.678 1.00 32.78 ? ? ? ? ? ? 15 LYS A DZ3 1 -ATOM 242 N N . ALA A 1 16 ? 28.538 3.555 15.339 1.00 12.01 ? ? ? ? ? ? 16 ALA A N 1 -ATOM 243 C CA . ALA A 1 16 ? 27.519 4.598 15.454 1.00 12.90 ? ? ? ? ? ? 16 ALA A CA 1 -ATOM 244 C C . ALA A 1 16 ? 26.498 4.287 14.310 1.00 12.51 ? ? ? ? ? ? 16 ALA A C 1 -ATOM 245 O O . ALA A 1 16 ? 26.836 3.476 13.402 1.00 13.19 ? ? ? ? ? ? 16 ALA A O 1 -ATOM 246 C CB . ALA A 1 16 ? 27.988 6.045 15.277 1.00 11.07 ? ? ? ? ? ? 16 ALA A CB 1 -ATOM 247 D D . ALA A 1 16 ? 29.382 3.725 14.844 1.00 15.12 ? ? ? ? ? ? 16 ALA A D 1 -ATOM 248 H HA . ALA A 1 16 ? 27.005 4.610 16.375 1.00 11.30 ? ? ? ? ? ? 16 ALA A HA 1 -ATOM 249 H HB1 . ALA A 1 16 ? 28.805 6.350 15.920 1.00 12.51 ? ? ? ? ? ? 16 ALA A HB1 1 -ATOM 250 H HB2 . ALA A 1 16 ? 28.517 6.226 14.332 1.00 12.25 ? ? ? ? ? ? 16 ALA A HB2 1 -ATOM 251 H HB3 . ALA A 1 16 ? 27.104 6.681 15.367 1.00 12.27 ? ? ? ? ? ? 16 ALA A HB3 1 -ATOM 252 N N . ARG A 1 17 ? 25.365 4.924 14.324 1.00 12.27 ? ? ? ? ? ? 17 ARG A N 1 -ATOM 253 C CA . ARG A 1 17 ? 24.373 4.865 13.248 1.00 13.57 ? ? ? ? ? ? 17 ARG A CA 1 -ATOM 254 C C . ARG A 1 17 ? 24.031 6.307 12.896 1.00 11.67 ? ? ? ? ? ? 17 ARG A C 1 -ATOM 255 O O . ARG A 1 17 ? 23.100 6.914 13.431 1.00 13.64 ? ? ? ? ? ? 17 ARG A O 1 -ATOM 256 C CB . ARG A 1 17 ? 23.121 4.138 13.566 1.00 15.95 ? ? ? ? ? ? 17 ARG A CB 1 -ATOM 257 C CG . ARG A 1 17 ? 23.529 2.682 13.790 1.00 21.32 ? ? ? ? ? ? 17 ARG A CG 1 -ATOM 258 C CD . ARG A 1 17 ? 22.243 2.045 14.156 1.00 25.64 ? ? ? ? ? ? 17 ARG A CD 1 -ATOM 259 N NE . ARG A 1 17 ? 21.702 1.586 12.894 1.00 32.90 ? ? ? ? ? ? 17 ARG A NE 1 -ATOM 260 C CZ . ARG A 1 17 ? 20.864 1.665 11.854 1.00 35.77 ? ? ? ? ? ? 17 ARG A CZ 1 -ATOM 261 N NH1 . ARG A 1 17 ? 19.924 2.628 11.721 1.00 36.79 ? ? ? ? ? ? 17 ARG A NH1 1 -ATOM 262 N NH2 . ARG A 1 17 ? 20.970 0.717 10.868 1.00 36.81 ? ? ? ? ? ? 17 ARG A NH2 1 -ATOM 263 D D . ARG A 1 17 ? 25.215 5.619 15.055 1.00 13.85 ? ? ? ? ? ? 17 ARG A D 1 -ATOM 264 H HA . ARG A 1 17 ? 24.803 4.465 12.336 1.00 12.52 ? ? ? ? ? ? 17 ARG A HA 1 -ATOM 265 H HB2 . ARG A 1 17 ? 22.566 4.456 14.456 1.00 17.10 ? ? ? ? ? ? 17 ARG A HB2 1 -ATOM 266 H HB3 . ARG A 1 17 ? 22.446 4.306 12.740 1.00 17.01 ? ? ? ? ? ? 17 ARG A HB3 1 -ATOM 267 H HG2 . ARG A 1 17 ? 24.096 2.201 13.028 1.00 20.76 ? ? ? ? ? ? 17 ARG A HG2 1 -ATOM 268 H HG3 . ARG A 1 17 ? 24.162 2.597 14.652 1.00 20.12 ? ? ? ? ? ? 17 ARG A HG3 1 -ATOM 269 H HD2 . ARG A 1 17 ? 22.509 1.196 14.762 1.00 27.02 ? ? ? ? ? ? 17 ARG A HD2 1 -ATOM 270 H HD3 . ARG A 1 17 ? 21.617 2.668 14.729 1.00 26.69 ? ? ? ? ? ? 17 ARG A HD3 1 -ATOM 271 D DE . ARG A 1 17 ? 22.338 0.732 12.765 1.00 34.58 ? ? ? ? ? ? 17 ARG A DE 1 -ATOM 272 D DH11 . ARG A 1 17 ? 19.809 3.376 12.418 1.00 35.94 ? ? ? ? ? ? 17 ARG A DH11 1 -ATOM 273 D DH12 . ARG A 1 17 ? 19.300 2.647 10.901 1.00 35.75 ? ? ? ? ? ? 17 ARG A DH12 1 -ATOM 274 D DH21 . ARG A 1 17 ? 21.641 -0.055 10.942 1.00 35.56 ? ? ? ? ? ? 17 ARG A DH21 1 -ATOM 275 D DH22 . ARG A 1 17 ? 20.319 0.741 10.088 1.00 35.91 ? ? ? ? ? ? 17 ARG A DH22 1 -ATOM 276 N N . ILE A 1 18 ? 24.783 6.955 12.017 1.00 10.78 ? ? ? ? ? ? 18 ILE A N 1 -ATOM 277 C CA . ILE A 1 18 ? 24.709 8.341 11.537 1.00 10.61 ? ? ? ? ? ? 18 ILE A CA 1 -ATOM 278 C C . ILE A 1 18 ? 24.204 8.278 10.079 1.00 10.94 ? ? ? ? ? ? 18 ILE A C 1 -ATOM 279 O O . ILE A 1 18 ? 24.876 7.679 9.249 1.00 10.62 ? ? ? ? ? ? 18 ILE A O 1 -ATOM 280 C CB . ILE A 1 18 ? 26.042 9.082 11.623 1.00 11.97 ? ? ? ? ? ? 18 ILE A CB 1 -ATOM 281 C CG1 . ILE A 1 18 ? 26.652 9.020 13.051 1.00 13.12 ? ? ? ? ? ? 18 ILE A CG1 1 -ATOM 282 C CG2 . ILE A 1 18 ? 25.974 10.525 11.176 1.00 10.95 ? ? ? ? ? ? 18 ILE A CG2 1 -ATOM 283 C CD1 . ILE A 1 18 ? 28.148 9.276 13.084 1.00 13.42 ? ? ? ? ? ? 18 ILE A CD1 1 -ATOM 284 H H . ILE A 1 18 ? 25.549 6.401 11.624 1.00 11.76 ? ? ? ? ? ? 18 ILE A H 1 -ATOM 285 H HA . ILE A 1 18 ? 24.000 8.847 12.188 1.00 11.05 ? ? ? ? ? ? 18 ILE A HA 1 -ATOM 286 H HB . ILE A 1 18 ? 26.865 8.594 11.118 1.00 11.50 ? ? ? ? ? ? 18 ILE A HB 1 -ATOM 287 H HG12 . ILE A 1 18 ? 25.954 9.414 13.777 1.00 13.26 ? ? ? ? ? ? 18 ILE A HG12 1 -ATOM 288 H HG13 . ILE A 1 18 ? 26.548 7.951 13.380 1.00 13.89 ? ? ? ? ? ? 18 ILE A HG13 1 -ATOM 289 H HG21 . ILE A 1 18 ? 25.331 10.602 10.286 1.00 11.59 ? ? ? ? ? ? 18 ILE A HG21 1 -ATOM 290 H HG22 . ILE A 1 18 ? 25.493 11.179 11.921 1.00 12.37 ? ? ? ? ? ? 18 ILE A HG22 1 -ATOM 291 H HG23 . ILE A 1 18 ? 26.964 10.890 10.940 1.00 12.46 ? ? ? ? ? ? 18 ILE A HG23 1 -ATOM 292 H HD11 . ILE A 1 18 ? 28.535 10.191 12.656 1.00 14.38 ? ? ? ? ? ? 18 ILE A HD11 1 -ATOM 293 H HD12 . ILE A 1 18 ? 28.455 8.952 14.098 1.00 13.86 ? ? ? ? ? ? 18 ILE A HD12 1 -ATOM 294 H HD13 . ILE A 1 18 ? 28.699 8.514 12.441 1.00 13.73 ? ? ? ? ? ? 18 ILE A HD13 1 -ATOM 295 N N . ILE A 1 19 ? 23.050 8.866 9.854 1.00 10.63 ? ? ? ? ? ? 19 ILE A N 1 -ATOM 296 C CA . ILE A 1 19 ? 22.472 8.852 8.467 1.00 11.65 ? ? ? ? ? ? 19 ILE A CA 1 -ATOM 297 C C . ILE A 1 19 ? 23.093 9.970 7.681 1.00 10.38 ? ? ? ? ? ? 19 ILE A C 1 -ATOM 298 O O . ILE A 1 19 ? 23.078 11.156 8.055 1.00 12.22 ? ? ? ? ? ? 19 ILE A O 1 -ATOM 299 C CB . ILE A 1 19 ? 20.954 9.049 8.496 1.00 13.30 ? ? ? ? ? ? 19 ILE A CB 1 -ATOM 300 C CG1 . ILE A 1 19 ? 20.478 7.843 9.308 1.00 15.24 ? ? ? ? ? ? 19 ILE A CG1 1 -ATOM 301 C CG2 . ILE A 1 19 ? 20.383 9.074 7.118 1.00 13.64 ? ? ? ? ? ? 19 ILE A CG2 1 -ATOM 302 C CD1 . ILE A 1 19 ? 21.047 6.435 9.116 1.00 16.83 ? ? ? ? ? ? 19 ILE A CD1 1 -ATOM 303 D D . ILE A 1 19 ? 22.527 9.412 10.455 1.00 10.47 ? ? ? ? ? ? 19 ILE A D 1 -ATOM 304 H HA . ILE A 1 19 ? 22.918 7.937 8.132 1.00 10.97 ? ? ? ? ? ? 19 ILE A HA 1 -ATOM 305 H HB . ILE A 1 19 ? 20.852 10.028 8.952 1.00 14.17 ? ? ? ? ? ? 19 ILE A HB 1 -ATOM 306 H HG12 . ILE A 1 19 ? 20.631 8.038 10.370 1.00 15.45 ? ? ? ? ? ? 19 ILE A HG12 1 -ATOM 307 H HG13 . ILE A 1 19 ? 19.392 7.700 9.202 1.00 15.29 ? ? ? ? ? ? 19 ILE A HG13 1 -ATOM 308 H HG21 . ILE A 1 19 ? 20.776 8.130 6.682 1.00 13.57 ? ? ? ? ? ? 19 ILE A HG21 1 -ATOM 309 H HG22 . ILE A 1 19 ? 19.302 8.957 7.044 1.00 13.63 ? ? ? ? ? ? 19 ILE A HG22 1 -ATOM 310 H HG23 . ILE A 1 19 ? 20.641 9.847 6.406 1.00 14.10 ? ? ? ? ? ? 19 ILE A HG23 1 -ATOM 311 H HD11 . ILE A 1 19 ? 22.105 6.190 9.208 1.00 15.89 ? ? ? ? ? ? 19 ILE A HD11 1 -ATOM 312 H HD12 . ILE A 1 19 ? 20.411 5.657 9.580 1.00 16.70 ? ? ? ? ? ? 19 ILE A HD12 1 -ATOM 313 H HD13 . ILE A 1 19 ? 20.856 6.216 8.025 1.00 15.33 ? ? ? ? ? ? 19 ILE A HD13 1 -ATOM 314 N N . ARG A 1 20 ? 23.726 9.516 6.564 1.00 10.55 ? ? ? ? ? ? 20 ARG A N 1 -ATOM 315 C CA . ARG A 1 20 ? 24.442 10.455 5.670 1.00 10.78 ? ? ? ? ? ? 20 ARG A CA 1 -ATOM 316 C C . ARG A 1 20 ? 23.927 10.184 4.206 1.00 9.27 ? ? ? ? ? ? 20 ARG A C 1 -ATOM 317 O O . ARG A 1 20 ? 23.300 9.191 3.965 1.00 10.69 ? ? ? ? ? ? 20 ARG A O 1 -ATOM 318 C CB . ARG A 1 20 ? 25.962 10.178 5.691 1.00 9.44 ? ? ? ? ? ? 20 ARG A CB 1 -ATOM 319 C CG . ARG A 1 20 ? 26.624 10.625 7.025 1.00 10.78 ? ? ? ? ? ? 20 ARG A CG 1 -ATOM 320 C CD . ARG A 1 20 ? 26.683 12.084 7.147 1.00 12.14 ? ? ? ? ? ? 20 ARG A CD 1 -ATOM 321 N NE . ARG A 1 20 ? 27.301 12.496 8.436 1.00 13.47 ? ? ? ? ? ? 20 ARG A NE 1 -ATOM 322 C CZ . ARG A 1 20 ? 28.569 12.515 8.793 1.00 14.63 ? ? ? ? ? ? 20 ARG A CZ 1 -ATOM 323 N NH1 . ARG A 1 20 ? 29.528 12.120 7.954 1.00 14.38 ? ? ? ? ? ? 20 ARG A NH1 1 -ATOM 324 N NH2 . ARG A 1 20 ? 28.880 12.930 10.036 1.00 15.39 ? ? ? ? ? ? 20 ARG A NH2 1 -ATOM 325 H H . ARG A 1 20 ? 23.787 8.592 6.237 1.00 11.60 ? ? ? ? ? ? 20 ARG A H 1 -ATOM 326 H HA . ARG A 1 20 ? 24.058 11.425 5.818 1.00 9.96 ? ? ? ? ? ? 20 ARG A HA 1 -ATOM 327 H HB2 . ARG A 1 20 ? 25.997 9.096 5.514 1.00 11.42 ? ? ? ? ? ? 20 ARG A HB2 1 -ATOM 328 H HB3 . ARG A 1 20 ? 26.473 10.556 4.823 1.00 11.61 ? ? ? ? ? ? 20 ARG A HB3 1 -ATOM 329 H HG2 . ARG A 1 20 ? 26.061 10.144 7.831 1.00 10.85 ? ? ? ? ? ? 20 ARG A HG2 1 -ATOM 330 H HG3 . ARG A 1 20 ? 27.535 10.103 7.169 1.00 11.31 ? ? ? ? ? ? 20 ARG A HG3 1 -ATOM 331 H HD2 . ARG A 1 20 ? 27.287 12.570 6.390 1.00 12.19 ? ? ? ? ? ? 20 ARG A HD2 1 -ATOM 332 H HD3 . ARG A 1 20 ? 25.902 12.789 7.042 1.00 11.77 ? ? ? ? ? ? 20 ARG A HD3 1 -ATOM 333 D DE . ARG A 1 20 ? 26.641 12.861 9.099 1.00 15.00 ? ? ? ? ? ? 20 ARG A DE 1 -ATOM 334 D DH11 . ARG A 1 20 ? 30.497 12.035 8.190 1.00 15.45 ? ? ? ? ? ? 20 ARG A DH11 1 -ATOM 335 D DH12 . ARG A 1 20 ? 29.294 11.758 7.027 1.00 15.68 ? ? ? ? ? ? 20 ARG A DH12 1 -ATOM 336 D DH21 . ARG A 1 20 ? 29.867 12.914 10.308 1.00 13.82 ? ? ? ? ? ? 20 ARG A DH21 1 -ATOM 337 D DH22 . ARG A 1 20 ? 28.137 13.263 10.632 1.00 14.55 ? ? ? ? ? ? 20 ARG A DH22 1 -ATOM 338 N N . TYR A 1 21 ? 24.290 11.111 3.341 1.00 9.20 ? ? ? ? ? ? 21 TYR A N 1 -ATOM 339 C CA . TYR A 1 21 ? 23.980 10.950 1.898 1.00 8.22 ? ? ? ? ? ? 21 TYR A CA 1 -ATOM 340 C C . TYR A 1 21 ? 25.230 10.503 1.171 1.00 8.71 ? ? ? ? ? ? 21 TYR A C 1 -ATOM 341 O O . TYR A 1 21 ? 26.337 10.911 1.504 1.00 8.47 ? ? ? ? ? ? 21 TYR A O 1 -ATOM 342 C CB . TYR A 1 21 ? 23.571 12.308 1.316 1.00 9.14 ? ? ? ? ? ? 21 TYR A CB 1 -ATOM 343 C CG . TYR A 1 21 ? 22.096 12.567 1.577 1.00 10.30 ? ? ? ? ? ? 21 TYR A CG 1 -ATOM 344 C CD1 . TYR A 1 21 ? 21.657 13.359 2.656 1.00 10.02 ? ? ? ? ? ? 21 TYR A CD1 1 -ATOM 345 C CD2 . TYR A 1 21 ? 21.170 12.008 0.718 1.00 10.29 ? ? ? ? ? ? 21 TYR A CD2 1 -ATOM 346 C CE1 . TYR A 1 21 ? 20.312 13.586 2.819 1.00 11.24 ? ? ? ? ? ? 21 TYR A CE1 1 -ATOM 347 C CE2 . TYR A 1 21 ? 19.795 12.189 0.909 1.00 11.46 ? ? ? ? ? ? 21 TYR A CE2 1 -ATOM 348 C CZ . TYR A 1 21 ? 19.370 13.026 1.971 1.00 12.26 ? ? ? ? ? ? 21 TYR A CZ 1 -ATOM 349 O OH . TYR A 1 21 ? 17.995 13.168 2.092 1.00 13.81 ? ? ? ? ? ? 21 TYR A OH 1 -ATOM 350 H H . TYR A 1 21 ? 24.869 11.855 3.627 1.00 9.54 ? ? ? ? ? ? 21 TYR A H 1 -ATOM 351 H HA . TYR A 1 21 ? 23.253 10.171 1.894 1.00 9.45 ? ? ? ? ? ? 21 TYR A HA 1 -ATOM 352 H HB2 . TYR A 1 21 ? 24.218 13.154 1.485 1.00 10.74 ? ? ? ? ? ? 21 TYR A HB2 1 -ATOM 353 H HB3 . TYR A 1 21 ? 23.593 12.133 0.220 1.00 9.35 ? ? ? ? ? ? 21 TYR A HB3 1 -ATOM 354 H HD1 . TYR A 1 21 ? 22.396 13.821 3.302 1.00 11.00 ? ? ? ? ? ? 21 TYR A HD1 1 -ATOM 355 H HD2 . TYR A 1 21 ? 21.487 11.347 -0.072 1.00 10.53 ? ? ? ? ? ? 21 TYR A HD2 1 -ATOM 356 H HE1 . TYR A 1 21 ? 19.977 14.203 3.642 1.00 10.87 ? ? ? ? ? ? 21 TYR A HE1 1 -ATOM 357 H HE2 . TYR A 1 21 ? 19.073 11.749 0.247 1.00 11.44 ? ? ? ? ? ? 21 TYR A HE2 1 -ATOM 358 D DH . TYR A 1 21 ? 17.713 13.930 2.654 1.00 14.85 ? ? ? ? ? ? 21 TYR A DH 1 -ATOM 359 N N . PHE A 1 22 ? 24.953 9.731 0.125 1.00 7.43 ? ? ? ? ? ? 22 PHE A N 1 -ATOM 360 C CA . PHE A 1 22 ? 25.997 9.344 -0.804 1.00 6.76 ? ? ? ? ? ? 22 PHE A CA 1 -ATOM 361 C C . PHE A 1 22 ? 25.379 9.511 -2.224 1.00 7.20 ? ? ? ? ? ? 22 PHE A C 1 -ATOM 362 O O . PHE A 1 22 ? 24.147 9.372 -2.366 1.00 7.41 ? ? ? ? ? ? 22 PHE A O 1 -ATOM 363 C CB . PHE A 1 22 ? 26.543 7.944 -0.689 1.00 6.59 ? ? ? ? ? ? 22 PHE A CB 1 -ATOM 364 C CG . PHE A 1 22 ? 25.670 6.853 -1.112 1.00 7.76 ? ? ? ? ? ? 22 PHE A CG 1 -ATOM 365 C CD1 . PHE A 1 22 ? 25.945 6.167 -2.285 1.00 8.47 ? ? ? ? ? ? 22 PHE A CD1 1 -ATOM 366 C CD2 . PHE A 1 22 ? 24.511 6.513 -0.412 1.00 8.78 ? ? ? ? ? ? 22 PHE A CD2 1 -ATOM 367 C CE1 . PHE A 1 22 ? 25.147 5.127 -2.683 1.00 9.15 ? ? ? ? ? ? 22 PHE A CE1 1 -ATOM 368 C CE2 . PHE A 1 22 ? 23.691 5.457 -0.800 1.00 9.59 ? ? ? ? ? ? 22 PHE A CE2 1 -ATOM 369 C CZ . PHE A 1 22 ? 24.024 4.780 -1.963 1.00 9.79 ? ? ? ? ? ? 22 PHE A CZ 1 -ATOM 370 H H . PHE A 1 22 ? 24.062 9.484 -0.227 1.00 8.93 ? ? ? ? ? ? 22 PHE A H 1 -ATOM 371 H HA . PHE A 1 22 ? 26.914 9.910 -0.832 1.00 6.50 ? ? ? ? ? ? 22 PHE A HA 1 -ATOM 372 H HB2 . PHE A 1 22 ? 27.448 8.048 -1.293 1.00 7.09 ? ? ? ? ? ? 22 PHE A HB2 1 -ATOM 373 H HB3 . PHE A 1 22 ? 26.675 7.814 0.433 1.00 5.77 ? ? ? ? ? ? 22 PHE A HB3 1 -ATOM 374 H HD1 . PHE A 1 22 ? 26.792 6.452 -2.819 1.00 8.71 ? ? ? ? ? ? 22 PHE A HD1 1 -ATOM 375 H HD2 . PHE A 1 22 ? 24.305 7.028 0.503 1.00 8.57 ? ? ? ? ? ? 22 PHE A HD2 1 -ATOM 376 H HE1 . PHE A 1 22 ? 25.378 4.634 -3.594 1.00 9.13 ? ? ? ? ? ? 22 PHE A HE1 1 -ATOM 377 H HE2 . PHE A 1 22 ? 22.866 5.192 -0.228 1.00 9.05 ? ? ? ? ? ? 22 PHE A HE2 1 -ATOM 378 H HZ . PHE A 1 22 ? 23.411 3.987 -2.299 1.00 9.64 ? ? ? ? ? ? 22 PHE A HZ 1 -ATOM 379 N N . TYR A 1 23 ? 26.248 9.721 -3.224 1.00 8.20 ? ? ? ? ? ? 23 TYR A N 1 -ATOM 380 C CA . TYR A 1 23 ? 25.779 9.725 -4.634 1.00 7.28 ? ? ? ? ? ? 23 TYR A CA 1 -ATOM 381 C C . TYR A 1 23 ? 25.786 8.322 -5.124 1.00 7.57 ? ? ? ? ? ? 23 TYR A C 1 -ATOM 382 O O . TYR A 1 23 ? 26.818 7.621 -5.132 1.00 8.16 ? ? ? ? ? ? 23 TYR A O 1 -ATOM 383 C CB . TYR A 1 23 ? 26.759 10.511 -5.499 1.00 9.85 ? ? ? ? ? ? 23 TYR A CB 1 -ATOM 384 C CG . TYR A 1 23 ? 26.248 10.666 -6.944 1.00 9.96 ? ? ? ? ? ? 23 TYR A CG 1 -ATOM 385 C CD1 . TYR A 1 23 ? 26.914 10.044 -7.987 1.00 10.97 ? ? ? ? ? ? 23 TYR A CD1 1 -ATOM 386 C CD2 . TYR A 1 23 ? 25.125 11.475 -7.226 1.00 11.33 ? ? ? ? ? ? 23 TYR A CD2 1 -ATOM 387 C CE1 . TYR A 1 23 ? 26.451 10.178 -9.295 1.00 11.27 ? ? ? ? ? ? 23 TYR A CE1 1 -ATOM 388 C CE2 . TYR A 1 23 ? 24.587 11.603 -8.518 1.00 11.73 ? ? ? ? ? ? 23 TYR A CE2 1 -ATOM 389 C CZ . TYR A 1 23 ? 25.294 10.925 -9.501 1.00 11.91 ? ? ? ? ? ? 23 TYR A CZ 1 -ATOM 390 O OH . TYR A 1 23 ? 24.839 11.085 -10.793 1.00 14.10 ? ? ? ? ? ? 23 TYR A OH 1 -ATOM 391 H H . TYR A 1 23 ? 27.210 9.753 -3.004 1.00 7.41 ? ? ? ? ? ? 23 TYR A H 1 -ATOM 392 H HA . TYR A 1 23 ? 24.818 10.226 -4.744 1.00 8.02 ? ? ? ? ? ? 23 TYR A HA 1 -ATOM 393 H HB2 . TYR A 1 23 ? 26.593 11.519 -5.121 1.00 9.84 ? ? ? ? ? ? 23 TYR A HB2 1 -ATOM 394 H HB3 . TYR A 1 23 ? 27.819 10.292 -5.414 1.00 9.27 ? ? ? ? ? ? 23 TYR A HB3 1 -ATOM 395 H HD1 . TYR A 1 23 ? 27.785 9.438 -7.850 1.00 10.63 ? ? ? ? ? ? 23 TYR A HD1 1 -ATOM 396 H HD2 . TYR A 1 23 ? 24.614 11.894 -6.350 1.00 10.81 ? ? ? ? ? ? 23 TYR A HD2 1 -ATOM 397 H HE1 . TYR A 1 23 ? 26.909 9.696 -10.142 1.00 11.58 ? ? ? ? ? ? 23 TYR A HE1 1 -ATOM 398 H HE2 . TYR A 1 23 ? 23.716 12.164 -8.754 1.00 11.77 ? ? ? ? ? ? 23 TYR A HE2 1 -ATOM 399 D DH . TYR A 1 23 ? 24.638 12.063 -10.743 1.00 14.22 ? ? ? ? ? ? 23 TYR A DH 1 -ATOM 400 N N . ASN A 1 24 ? 24.618 7.831 -5.550 1.00 7.53 ? ? ? ? ? ? 24 ASN A N 1 -ATOM 401 C CA . ASN A 1 24 ? 24.473 6.511 -6.126 1.00 8.25 ? ? ? ? ? ? 24 ASN A CA 1 -ATOM 402 C C . ASN A 1 24 ? 24.533 6.730 -7.657 1.00 9.26 ? ? ? ? ? ? 24 ASN A C 1 -ATOM 403 O O . ASN A 1 24 ? 23.605 7.147 -8.338 1.00 9.06 ? ? ? ? ? ? 24 ASN A O 1 -ATOM 404 C CB . ASN A 1 24 ? 23.099 5.973 -5.764 1.00 9.60 ? ? ? ? ? ? 24 ASN A CB 1 -ATOM 405 C CG . ASN A 1 24 ? 22.895 4.611 -6.330 1.00 10.11 ? ? ? ? ? ? 24 ASN A CG 1 -ATOM 406 O OD1 . ASN A 1 24 ? 23.537 4.204 -7.313 1.00 13.10 ? ? ? ? ? ? 24 ASN A OD1 1 -ATOM 407 N ND2 . ASN A 1 24 ? 21.966 3.903 -5.800 1.00 12.51 ? ? ? ? ? ? 24 ASN A ND2 1 -ATOM 408 H H . ASN A 1 24 ? 23.768 8.406 -5.560 1.00 7.95 ? ? ? ? ? ? 24 ASN A H 1 -ATOM 409 H HA . ASN A 1 24 ? 25.252 5.817 -5.749 1.00 7.93 ? ? ? ? ? ? 24 ASN A HA 1 -ATOM 410 H HB2 . ASN A 1 24 ? 23.193 5.827 -4.660 1.00 8.09 ? ? ? ? ? ? 24 ASN A HB2 1 -ATOM 411 H HB3 . ASN A 1 24 ? 22.291 6.679 -5.844 1.00 9.60 ? ? ? ? ? ? 24 ASN A HB3 1 -ATOM 412 D DD21 . ASN A 1 24 ? 21.767 2.914 -6.106 1.00 12.19 ? ? ? ? ? ? 24 ASN A DD21 1 -ATOM 413 D DD22 . ASN A 1 24 ? 21.419 4.231 -5.010 1.00 11.93 ? ? ? ? ? ? 24 ASN A DD22 1 -ATOM 414 N N . ALA A 1 25 ? 25.690 6.499 -8.244 1.00 10.90 ? ? ? ? ? ? 25 ALA A N 1 -ATOM 415 C CA . ALA A 1 25 ? 25.937 6.771 -9.710 1.00 12.18 ? ? ? ? ? ? 25 ALA A CA 1 -ATOM 416 C C . ALA A 1 25 ? 25.108 5.883 -10.665 1.00 11.03 ? ? ? ? ? ? 25 ALA A C 1 -ATOM 417 O O . ALA A 1 25 ? 24.972 6.315 -11.816 1.00 12.22 ? ? ? ? ? ? 25 ALA A O 1 -ATOM 418 C CB . ALA A 1 25 ? 27.438 6.846 -9.903 1.00 11.38 ? ? ? ? ? ? 25 ALA A CB 1 -ATOM 419 D D . ALA A 1 25 ? 26.523 6.274 -7.738 1.00 10.47 ? ? ? ? ? ? 25 ALA A D 1 -ATOM 420 H HA . ALA A 1 25 ? 25.558 7.786 -9.716 1.00 11.28 ? ? ? ? ? ? 25 ALA A HA 1 -ATOM 421 H HB1 . ALA A 1 25 ? 28.036 7.257 -9.107 1.00 12.88 ? ? ? ? ? ? 25 ALA A HB1 1 -ATOM 422 H HB2 . ALA A 1 25 ? 27.681 5.764 -9.848 1.00 12.72 ? ? ? ? ? ? 25 ALA A HB2 1 -ATOM 423 H HB3 . ALA A 1 25 ? 27.740 7.086 -10.895 1.00 12.70 ? ? ? ? ? ? 25 ALA A HB3 1 -ATOM 424 N N . LYS A 1 26 ? 24.672 4.739 -10.226 1.00 10.74 ? ? ? ? ? ? 26 LYS A N 1 -ATOM 425 C CA . LYS A 1 26 ? 23.844 3.843 -10.944 1.00 13.89 ? ? ? ? ? ? 26 LYS A CA 1 -ATOM 426 C C . LYS A 1 26 ? 22.458 4.414 -11.053 1.00 13.64 ? ? ? ? ? ? 26 LYS A C 1 -ATOM 427 O O . LYS A 1 26 ? 21.776 4.419 -12.113 1.00 15.07 ? ? ? ? ? ? 26 LYS A O 1 -ATOM 428 C CB . LYS A 1 26 ? 23.873 2.469 -10.338 1.00 18.92 ? ? ? ? ? ? 26 LYS A CB 1 -ATOM 429 C CG . LYS A 1 26 ? 22.897 1.688 -11.164 1.00 23.44 ? ? ? ? ? ? 26 LYS A CG 1 -ATOM 430 C CD . LYS A 1 26 ? 23.134 0.220 -10.987 1.00 28.41 ? ? ? ? ? ? 26 LYS A CD 1 -ATOM 431 C CE . LYS A 1 26 ? 21.883 -0.282 -11.734 1.00 33.13 ? ? ? ? ? ? 26 LYS A CE 1 -ATOM 432 N NZ . LYS A 1 26 ? 21.699 -1.653 -11.140 1.00 36.26 ? ? ? ? ? ? 26 LYS A NZ 1 -ATOM 433 D D . LYS A 1 26 ? 24.811 4.482 -9.301 1.00 12.45 ? ? ? ? ? ? 26 LYS A D 1 -ATOM 434 H HA . LYS A 1 26 ? 24.244 3.768 -11.951 1.00 13.36 ? ? ? ? ? ? 26 LYS A HA 1 -ATOM 435 H HB2 . LYS A 1 26 ? 24.904 2.072 -10.313 1.00 18.73 ? ? ? ? ? ? 26 LYS A HB2 1 -ATOM 436 H HB3 . LYS A 1 26 ? 23.584 2.461 -9.286 1.00 18.71 ? ? ? ? ? ? 26 LYS A HB3 1 -ATOM 437 H HG2 . LYS A 1 26 ? 21.821 1.865 -11.054 1.00 23.71 ? ? ? ? ? ? 26 LYS A HG2 1 -ATOM 438 H HG3 . LYS A 1 26 ? 23.032 1.822 -12.264 1.00 23.90 ? ? ? ? ? ? 26 LYS A HG3 1 -ATOM 439 H HD2 . LYS A 1 26 ? 23.995 -0.194 -11.474 1.00 28.42 ? ? ? ? ? ? 26 LYS A HD2 1 -ATOM 440 H HD3 . LYS A 1 26 ? 23.120 -0.106 -9.964 1.00 28.28 ? ? ? ? ? ? 26 LYS A HD3 1 -ATOM 441 H HE2 . LYS A 1 26 ? 21.046 0.350 -11.524 1.00 32.48 ? ? ? ? ? ? 26 LYS A HE2 1 -ATOM 442 H HE3 . LYS A 1 26 ? 22.160 -0.402 -12.753 1.00 32.27 ? ? ? ? ? ? 26 LYS A HE3 1 -ATOM 443 D DZ1 . LYS A 1 26 ? 21.593 -1.586 -10.094 1.00 36.90 ? ? ? ? ? ? 26 LYS A DZ1 1 -ATOM 444 D DZ2 . LYS A 1 26 ? 20.761 -1.979 -11.479 1.00 37.12 ? ? ? ? ? ? 26 LYS A DZ2 1 -ATOM 445 D DZ3 . LYS A 1 26 ? 22.527 -2.262 -11.359 1.00 36.55 ? ? ? ? ? ? 26 LYS A DZ3 1 -ATOM 446 N N . ALA A 1 27 ? 21.931 5.074 -10.038 1.00 13.18 ? ? ? ? ? ? 27 ALA A N 1 -ATOM 447 C CA . ALA A 1 27 ? 20.576 5.701 -10.043 1.00 11.76 ? ? ? ? ? ? 27 ALA A CA 1 -ATOM 448 C C . ALA A 1 27 ? 20.606 7.178 -10.432 1.00 10.74 ? ? ? ? ? ? 27 ALA A C 1 -ATOM 449 O O . ALA A 1 27 ? 19.595 7.768 -10.820 1.00 11.30 ? ? ? ? ? ? 27 ALA A O 1 -ATOM 450 C CB . ALA A 1 27 ? 20.054 5.625 -8.612 1.00 12.78 ? ? ? ? ? ? 27 ALA A CB 1 -ATOM 451 D D . ALA A 1 27 ? 22.488 5.076 -9.180 1.00 15.23 ? ? ? ? ? ? 27 ALA A D 1 -ATOM 452 H HA . ALA A 1 27 ? 20.090 5.015 -10.727 1.00 12.71 ? ? ? ? ? ? 27 ALA A HA 1 -ATOM 453 H HB1 . ALA A 1 27 ? 20.772 6.088 -7.962 1.00 11.38 ? ? ? ? ? ? 27 ALA A HB1 1 -ATOM 454 H HB2 . ALA A 1 27 ? 19.100 6.124 -8.555 1.00 11.24 ? ? ? ? ? ? 27 ALA A HB2 1 -ATOM 455 H HB3 . ALA A 1 27 ? 20.011 4.596 -8.261 1.00 11.11 ? ? ? ? ? ? 27 ALA A HB3 1 -ATOM 456 N N . GLY A 1 28 ? 21.752 7.848 -10.373 1.00 9.60 ? ? ? ? ? ? 28 GLY A N 1 -ATOM 457 C CA . GLY A 1 28 ? 21.970 9.249 -10.618 1.00 10.58 ? ? ? ? ? ? 28 GLY A CA 1 -ATOM 458 C C . GLY A 1 28 ? 21.292 10.175 -9.591 1.00 11.69 ? ? ? ? ? ? 28 GLY A C 1 -ATOM 459 O O . GLY A 1 28 ? 20.947 11.316 -9.904 1.00 12.66 ? ? ? ? ? ? 28 GLY A O 1 -ATOM 460 D D . GLY A 1 28 ? 22.531 7.298 -10.049 1.00 11.71 ? ? ? ? ? ? 28 GLY A D 1 -ATOM 461 H HA2 . GLY A 1 28 ? 22.992 9.579 -10.730 1.00 10.85 ? ? ? ? ? ? 28 GLY A HA2 1 -ATOM 462 H HA3 . GLY A 1 28 ? 21.483 9.541 -11.578 1.00 10.66 ? ? ? ? ? ? 28 GLY A HA3 1 -ATOM 463 N N . LEU A 1 29 ? 21.201 9.723 -8.370 1.00 11.42 ? ? ? ? ? ? 29 LEU A N 1 -ATOM 464 C CA . LEU A 1 29 ? 20.589 10.458 -7.271 1.00 13.44 ? ? ? ? ? ? 29 LEU A CA 1 -ATOM 465 C C . LEU A 1 29 ? 21.437 10.194 -6.009 1.00 10.49 ? ? ? ? ? ? 29 LEU A C 1 -ATOM 466 O O . LEU A 1 29 ? 22.077 9.168 -5.914 1.00 11.18 ? ? ? ? ? ? 29 LEU A O 1 -ATOM 467 C CB . LEU A 1 29 ? 19.233 9.682 -6.932 1.00 15.84 ? ? ? ? ? ? 29 LEU A CB 1 -ATOM 468 C CG . LEU A 1 29 ? 18.126 9.639 -7.924 1.00 17.24 ? ? ? ? ? ? 29 LEU A CG 1 -ATOM 469 C CD1 . LEU A 1 29 ? 16.897 8.857 -7.584 1.00 18.29 ? ? ? ? ? ? 29 LEU A CD1 1 -ATOM 470 C CD2 . LEU A 1 29 ? 17.548 11.015 -8.232 1.00 18.39 ? ? ? ? ? ? 29 LEU A CD2 1 -ATOM 471 D D . LEU A 1 29 ? 21.510 8.788 -8.071 1.00 11.84 ? ? ? ? ? ? 29 LEU A D 1 -ATOM 472 H HA . LEU A 1 29 ? 20.311 11.468 -7.252 1.00 13.35 ? ? ? ? ? ? 29 LEU A HA 1 -ATOM 473 H HB2 . LEU A 1 29 ? 19.436 8.685 -6.548 1.00 15.95 ? ? ? ? ? ? 29 LEU A HB2 1 -ATOM 474 H HB3 . LEU A 1 29 ? 18.858 10.134 -5.977 1.00 15.40 ? ? ? ? ? ? 29 LEU A HB3 1 -ATOM 475 H HG . LEU A 1 29 ? 18.531 9.305 -8.886 1.00 17.16 ? ? ? ? ? ? 29 LEU A HG 1 -ATOM 476 H HD11 . LEU A 1 29 ? 16.985 7.826 -7.316 1.00 17.17 ? ? ? ? ? ? 29 LEU A HD11 1 -ATOM 477 H HD12 . LEU A 1 29 ? 16.567 9.316 -6.642 1.00 17.13 ? ? ? ? ? ? 29 LEU A HD12 1 -ATOM 478 H HD13 . LEU A 1 29 ? 16.204 9.016 -8.386 1.00 17.35 ? ? ? ? ? ? 29 LEU A HD13 1 -ATOM 479 H HD21 . LEU A 1 29 ? 18.381 11.675 -8.464 1.00 17.08 ? ? ? ? ? ? 29 LEU A HD21 1 -ATOM 480 H HD22 . LEU A 1 29 ? 16.837 10.957 -9.047 1.00 17.51 ? ? ? ? ? ? 29 LEU A HD22 1 -ATOM 481 H HD23 . LEU A 1 29 ? 17.112 11.417 -7.289 1.00 16.97 ? ? ? ? ? ? 29 LEU A HD23 1 -ATOM 482 N N . CYS A 1 30 ? 21.289 11.133 -5.121 1.00 10.45 ? ? ? ? ? ? 30 CYS A N 1 -ATOM 483 C CA . CYS A 1 30 ? 21.875 11.033 -3.734 1.00 10.30 ? ? ? ? ? ? 30 CYS A CA 1 -ATOM 484 C C . CYS A 1 30 ? 20.869 10.289 -2.850 1.00 10.76 ? ? ? ? ? ? 30 CYS A C 1 -ATOM 485 O O . CYS A 1 30 ? 19.639 10.651 -2.961 1.00 12.39 ? ? ? ? ? ? 30 CYS A O 1 -ATOM 486 C CB . CYS A 1 30 ? 22.103 12.439 -3.217 1.00 10.60 ? ? ? ? ? ? 30 CYS A CB 1 -ATOM 487 S SG . CYS A 1 30 ? 23.486 13.149 -4.087 1.00 11.79 ? ? ? ? ? ? 30 CYS A SG 1 -ATOM 488 D D . CYS A 1 30 ? 20.752 11.960 -5.175 1.00 11.99 ? ? ? ? ? ? 30 CYS A D 1 -ATOM 489 H HA . CYS A 1 30 ? 22.835 10.632 -3.940 1.00 10.70 ? ? ? ? ? ? 30 CYS A HA 1 -ATOM 490 H HB2 . CYS A 1 30 ? 21.141 12.922 -3.348 1.00 11.15 ? ? ? ? ? ? 30 CYS A HB2 1 -ATOM 491 H HB3 . CYS A 1 30 ? 22.434 12.440 -2.188 1.00 10.30 ? ? ? ? ? ? 30 CYS A HB3 1 -ATOM 492 N N . GLN A 1 31 ? 21.336 9.324 -2.086 1.00 8.79 ? ? ? ? ? ? 31 GLN A N 1 -ATOM 493 C CA . GLN A 1 31 ? 20.508 8.474 -1.259 1.00 10.62 ? ? ? ? ? ? 31 GLN A CA 1 -ATOM 494 C C . GLN A 1 31 ? 21.184 8.402 0.118 1.00 10.68 ? ? ? ? ? ? 31 GLN A C 1 -ATOM 495 O O . GLN A 1 31 ? 22.328 8.784 0.291 1.00 10.44 ? ? ? ? ? ? 31 GLN A O 1 -ATOM 496 C CB . GLN A 1 31 ? 20.354 7.087 -1.858 1.00 11.67 ? ? ? ? ? ? 31 GLN A CB 1 -ATOM 497 C CG . GLN A 1 31 ? 19.623 7.119 -3.183 1.00 13.65 ? ? ? ? ? ? 31 GLN A CG 1 -ATOM 498 C CD . GLN A 1 31 ? 19.594 5.767 -3.853 1.00 14.34 ? ? ? ? ? ? 31 GLN A CD 1 -ATOM 499 O OE1 . GLN A 1 31 ? 20.395 4.867 -3.653 1.00 15.59 ? ? ? ? ? ? 31 GLN A OE1 1 -ATOM 500 N NE2 . GLN A 1 31 ? 18.531 5.618 -4.678 1.00 18.68 ? ? ? ? ? ? 31 GLN A NE2 1 -ATOM 501 H H . GLN A 1 31 ? 22.343 9.128 -2.125 1.00 11.77 ? ? ? ? ? ? 31 GLN A H 1 -ATOM 502 H HA . GLN A 1 31 ? 19.517 8.874 -1.128 1.00 10.53 ? ? ? ? ? ? 31 GLN A HA 1 -ATOM 503 H HB2 . GLN A 1 31 ? 21.356 6.648 -2.002 1.00 13.07 ? ? ? ? ? ? 31 GLN A HB2 1 -ATOM 504 H HB3 . GLN A 1 31 ? 19.931 6.372 -1.113 1.00 11.96 ? ? ? ? ? ? 31 GLN A HB3 1 -ATOM 505 H HG2 . GLN A 1 31 ? 18.690 7.661 -3.311 1.00 12.84 ? ? ? ? ? ? 31 GLN A HG2 1 -ATOM 506 H HG3 . GLN A 1 31 ? 20.219 7.714 -3.916 1.00 11.88 ? ? ? ? ? ? 31 GLN A HG3 1 -ATOM 507 D DE21 . GLN A 1 31 ? 18.411 4.689 -5.135 1.00 15.66 ? ? ? ? ? ? 31 GLN A DE21 1 -ATOM 508 D DE22 . GLN A 1 31 ? 17.891 6.434 -4.778 1.00 15.36 ? ? ? ? ? ? 31 GLN A DE22 1 -ATOM 509 N N . THR A 1 32 ? 20.404 7.934 1.103 1.00 11.66 ? ? ? ? ? ? 32 THR A N 1 -ATOM 510 C CA . THR A 1 32 ? 20.941 7.836 2.490 1.00 11.14 ? ? ? ? ? ? 32 THR A CA 1 -ATOM 511 C C . THR A 1 32 ? 21.590 6.489 2.656 1.00 10.29 ? ? ? ? ? ? 32 THR A C 1 -ATOM 512 O O . THR A 1 32 ? 21.401 5.428 2.076 1.00 11.74 ? ? ? ? ? ? 32 THR A O 1 -ATOM 513 C CB . THR A 1 32 ? 19.849 8.116 3.568 1.00 11.90 ? ? ? ? ? ? 32 THR A CB 1 -ATOM 514 O OG1 . THR A 1 32 ? 18.807 7.216 3.348 1.00 14.39 ? ? ? ? ? ? 32 THR A OG1 1 -ATOM 515 C CG2 . THR A 1 32 ? 19.240 9.473 3.369 1.00 13.60 ? ? ? ? ? ? 32 THR A CG2 1 -ATOM 516 D D . THR A 1 32 ? 19.456 7.621 0.938 1.00 10.82 ? ? ? ? ? ? 32 THR A D 1 -ATOM 517 H HA . THR A 1 32 ? 21.592 8.681 2.741 1.00 11.72 ? ? ? ? ? ? 32 THR A HA 1 -ATOM 518 H HB . THR A 1 32 ? 20.326 8.080 4.568 1.00 13.24 ? ? ? ? ? ? 32 THR A HB 1 -ATOM 519 D DG1 . THR A 1 32 ? 19.288 6.347 3.409 1.00 15.34 ? ? ? ? ? ? 32 THR A DG1 1 -ATOM 520 H HG21 . THR A 1 32 ? 18.775 9.734 2.409 1.00 12.24 ? ? ? ? ? ? 32 THR A HG21 1 -ATOM 521 H HG22 . THR A 1 32 ? 18.605 9.634 4.256 1.00 12.28 ? ? ? ? ? ? 32 THR A HG22 1 -ATOM 522 H HG23 . THR A 1 32 ? 19.988 10.264 3.585 1.00 13.01 ? ? ? ? ? ? 32 THR A HG23 1 -ATOM 523 N N . PHE A 1 33 ? 22.506 6.456 3.619 1.00 9.22 ? ? ? ? ? ? 33 PHE A N 1 -ATOM 524 C CA . PHE A 1 33 ? 23.207 5.275 4.060 1.00 9.74 ? ? ? ? ? ? 33 PHE A CA 1 -ATOM 525 C C . PHE A 1 33 ? 23.550 5.541 5.559 1.00 9.40 ? ? ? ? ? ? 33 PHE A C 1 -ATOM 526 O O . PHE A 1 33 ? 23.556 6.640 6.034 1.00 10.22 ? ? ? ? ? ? 33 PHE A O 1 -ATOM 527 C CB . PHE A 1 33 ? 24.434 4.964 3.270 1.00 9.26 ? ? ? ? ? ? 33 PHE A CB 1 -ATOM 528 C CG . PHE A 1 33 ? 25.710 5.682 3.555 1.00 9.20 ? ? ? ? ? ? 33 PHE A CG 1 -ATOM 529 C CD1 . PHE A 1 33 ? 26.781 5.095 4.224 1.00 10.68 ? ? ? ? ? ? 33 PHE A CD1 1 -ATOM 530 C CD2 . PHE A 1 33 ? 25.843 6.975 3.069 1.00 10.04 ? ? ? ? ? ? 33 PHE A CD2 1 -ATOM 531 C CE1 . PHE A 1 33 ? 27.946 5.766 4.445 1.00 8.91 ? ? ? ? ? ? 33 PHE A CE1 1 -ATOM 532 C CE2 . PHE A 1 33 ? 27.014 7.710 3.271 1.00 10.37 ? ? ? ? ? ? 33 PHE A CE2 1 -ATOM 533 C CZ . PHE A 1 33 ? 28.008 7.053 3.984 1.00 9.71 ? ? ? ? ? ? 33 PHE A CZ 1 -ATOM 534 H H . PHE A 1 33 ? 22.695 7.266 4.199 1.00 11.07 ? ? ? ? ? ? 33 PHE A H 1 -ATOM 535 H HA . PHE A 1 33 ? 22.613 4.388 3.918 1.00 9.08 ? ? ? ? ? ? 33 PHE A HA 1 -ATOM 536 H HB2 . PHE A 1 33 ? 24.660 3.891 3.281 1.00 8.91 ? ? ? ? ? ? 33 PHE A HB2 1 -ATOM 537 H HB3 . PHE A 1 33 ? 24.191 5.223 2.224 1.00 10.11 ? ? ? ? ? ? 33 PHE A HB3 1 -ATOM 538 H HD1 . PHE A 1 33 ? 26.642 4.136 4.599 1.00 10.02 ? ? ? ? ? ? 33 PHE A HD1 1 -ATOM 539 H HD2 . PHE A 1 33 ? 25.041 7.396 2.488 1.00 10.10 ? ? ? ? ? ? 33 PHE A HD2 1 -ATOM 540 H HE1 . PHE A 1 33 ? 28.767 5.394 5.011 1.00 10.09 ? ? ? ? ? ? 33 PHE A HE1 1 -ATOM 541 H HE2 . PHE A 1 33 ? 27.164 8.641 2.902 1.00 9.74 ? ? ? ? ? ? 33 PHE A HE2 1 -ATOM 542 H HZ . PHE A 1 33 ? 28.943 7.600 4.146 1.00 9.76 ? ? ? ? ? ? 33 PHE A HZ 1 -ATOM 543 N N . VAL A 1 34 ? 23.923 4.477 6.205 1.00 11.69 ? ? ? ? ? ? 34 VAL A N 1 -ATOM 544 C CA . VAL A 1 34 ? 24.349 4.496 7.646 1.00 11.33 ? ? ? ? ? ? 34 VAL A CA 1 -ATOM 545 C C . VAL A 1 34 ? 25.894 4.524 7.711 1.00 10.54 ? ? ? ? ? ? 34 VAL A C 1 -ATOM 546 O O . VAL A 1 34 ? 26.638 3.625 7.263 1.00 11.75 ? ? ? ? ? ? 34 VAL A O 1 -ATOM 547 C CB . VAL A 1 34 ? 23.771 3.242 8.364 1.00 13.85 ? ? ? ? ? ? 34 VAL A CB 1 -ATOM 548 C CG1 . VAL A 1 34 ? 24.190 3.382 9.822 1.00 15.43 ? ? ? ? ? ? 34 VAL A CG1 1 -ATOM 549 C CG2 . VAL A 1 34 ? 22.264 3.291 8.258 1.00 14.03 ? ? ? ? ? ? 34 VAL A CG2 1 -ATOM 550 D D . VAL A 1 34 ? 23.874 3.555 5.766 1.00 10.86 ? ? ? ? ? ? 34 VAL A D 1 -ATOM 551 H HA . VAL A 1 34 ? 23.896 5.373 8.063 1.00 13.01 ? ? ? ? ? ? 34 VAL A HA 1 -ATOM 552 H HB . VAL A 1 34 ? 24.145 2.394 7.767 1.00 14.28 ? ? ? ? ? ? 34 VAL A HB 1 -ATOM 553 H HG11 . VAL A 1 34 ? 25.215 3.495 10.080 1.00 14.34 ? ? ? ? ? ? 34 VAL A HG11 1 -ATOM 554 H HG12 . VAL A 1 34 ? 23.715 4.342 10.087 1.00 14.17 ? ? ? ? ? ? 34 VAL A HG12 1 -ATOM 555 H HG13 . VAL A 1 34 ? 23.671 2.771 10.508 1.00 14.55 ? ? ? ? ? ? 34 VAL A HG13 1 -ATOM 556 H HG21 . VAL A 1 34 ? 21.923 3.399 7.220 1.00 13.82 ? ? ? ? ? ? 34 VAL A HG21 1 -ATOM 557 H HG22 . VAL A 1 34 ? 21.859 2.299 8.478 1.00 13.92 ? ? ? ? ? ? 34 VAL A HG22 1 -ATOM 558 H HG23 . VAL A 1 34 ? 21.693 4.035 8.788 1.00 14.12 ? ? ? ? ? ? 34 VAL A HG23 1 -ATOM 559 N N . TYR A 1 35 ? 26.387 5.631 8.231 1.00 8.67 ? ? ? ? ? ? 35 TYR A N 1 -ATOM 560 C CA . TYR A 1 35 ? 27.814 5.860 8.458 1.00 8.52 ? ? ? ? ? ? 35 TYR A CA 1 -ATOM 561 C C . TYR A 1 35 ? 28.085 5.455 9.938 1.00 9.39 ? ? ? ? ? ? 35 TYR A C 1 -ATOM 562 O O . TYR A 1 35 ? 27.356 5.880 10.841 1.00 10.05 ? ? ? ? ? ? 35 TYR A O 1 -ATOM 563 C CB . TYR A 1 35 ? 28.111 7.355 8.111 1.00 9.40 ? ? ? ? ? ? 35 TYR A CB 1 -ATOM 564 C CG . TYR A 1 35 ? 29.487 7.835 8.503 1.00 9.39 ? ? ? ? ? ? 35 TYR A CG 1 -ATOM 565 C CD1 . TYR A 1 35 ? 30.614 7.095 8.174 1.00 9.35 ? ? ? ? ? ? 35 TYR A CD1 1 -ATOM 566 C CD2 . TYR A 1 35 ? 29.613 8.943 9.313 1.00 9.32 ? ? ? ? ? ? 35 TYR A CD2 1 -ATOM 567 C CE1 . TYR A 1 35 ? 31.862 7.506 8.619 1.00 9.35 ? ? ? ? ? ? 35 TYR A CE1 1 -ATOM 568 C CE2 . TYR A 1 35 ? 30.895 9.387 9.715 1.00 9.94 ? ? ? ? ? ? 35 TYR A CE2 1 -ATOM 569 C CZ . TYR A 1 35 ? 31.977 8.641 9.373 1.00 10.13 ? ? ? ? ? ? 35 TYR A CZ 1 -ATOM 570 O OH . TYR A 1 35 ? 33.198 9.064 9.803 1.00 11.76 ? ? ? ? ? ? 35 TYR A OH 1 -ATOM 571 H H . TYR A 1 35 ? 25.808 6.359 8.604 1.00 10.82 ? ? ? ? ? ? 35 TYR A H 1 -ATOM 572 H HA . TYR A 1 35 ? 28.395 5.346 7.704 1.00 8.94 ? ? ? ? ? ? 35 TYR A HA 1 -ATOM 573 H HB2 . TYR A 1 35 ? 28.076 7.240 7.047 1.00 9.25 ? ? ? ? ? ? 35 TYR A HB2 1 -ATOM 574 H HB3 . TYR A 1 35 ? 27.271 7.909 8.560 1.00 9.74 ? ? ? ? ? ? 35 TYR A HB3 1 -ATOM 575 H HD1 . TYR A 1 35 ? 30.545 6.205 7.538 1.00 9.98 ? ? ? ? ? ? 35 TYR A HD1 1 -ATOM 576 H HD2 . TYR A 1 35 ? 28.750 9.553 9.589 1.00 10.16 ? ? ? ? ? ? 35 TYR A HD2 1 -ATOM 577 H HE1 . TYR A 1 35 ? 32.771 6.952 8.307 1.00 10.27 ? ? ? ? ? ? 35 TYR A HE1 1 -ATOM 578 H HE2 . TYR A 1 35 ? 30.943 10.289 10.353 1.00 9.68 ? ? ? ? ? ? 35 TYR A HE2 1 -ATOM 579 D DH . TYR A 1 35 ? 33.644 9.848 9.469 1.00 13.94 ? ? ? ? ? ? 35 TYR A DH 1 -ATOM 580 N N . GLY A 1 36 ? 29.181 4.741 10.152 1.00 9.59 ? ? ? ? ? ? 36 GLY A N 1 -ATOM 581 C CA . GLY A 1 36 ? 29.544 4.252 11.487 1.00 9.91 ? ? ? ? ? ? 36 GLY A CA 1 -ATOM 582 C C . GLY A 1 36 ? 30.219 5.242 12.389 1.00 9.25 ? ? ? ? ? ? 36 GLY A C 1 -ATOM 583 O O . GLY A 1 36 ? 30.414 4.897 13.554 1.00 9.95 ? ? ? ? ? ? 36 GLY A O 1 -ATOM 584 D D . GLY A 1 36 ? 29.796 4.369 9.440 1.00 10.72 ? ? ? ? ? ? 36 GLY A D 1 -ATOM 585 H HA2 . GLY A 1 36 ? 28.569 4.035 11.938 1.00 9.21 ? ? ? ? ? ? 36 GLY A HA2 1 -ATOM 586 H HA3 . GLY A 1 36 ? 29.951 3.244 11.467 1.00 9.63 ? ? ? ? ? ? 36 GLY A HA3 1 -ATOM 587 N N . GLY A 1 37 ? 30.587 6.373 11.911 1.00 8.45 ? ? ? ? ? ? 37 GLY A N 1 -ATOM 588 C CA . GLY A 1 37 ? 31.172 7.377 12.736 1.00 10.39 ? ? ? ? ? ? 37 GLY A CA 1 -ATOM 589 C C . GLY A 1 37 ? 32.637 7.664 12.699 1.00 10.61 ? ? ? ? ? ? 37 GLY A C 1 -ATOM 590 O O . GLY A 1 37 ? 33.098 8.624 13.380 1.00 13.37 ? ? ? ? ? ? 37 GLY A O 1 -ATOM 591 H H . GLY A 1 37 ? 30.371 6.645 10.927 1.00 9.53 ? ? ? ? ? ? 37 GLY A H 1 -ATOM 592 H HA2 . GLY A 1 37 ? 30.644 8.301 12.496 1.00 10.62 ? ? ? ? ? ? 37 GLY A HA2 1 -ATOM 593 H HA3 . GLY A 1 37 ? 30.965 7.251 13.816 1.00 9.36 ? ? ? ? ? ? 37 GLY A HA3 1 -ATOM 594 N N . CYS A 1 38 ? 33.387 6.871 11.999 1.00 10.95 ? ? ? ? ? ? 38 CYS A N 1 -ATOM 595 C CA . CYS A 1 38 ? 34.813 7.212 11.868 1.00 11.65 ? ? ? ? ? ? 38 CYS A CA 1 -ATOM 596 C C . CYS A 1 38 ? 35.267 6.763 10.481 1.00 12.05 ? ? ? ? ? ? 38 CYS A C 1 -ATOM 597 O O . CYS A 1 38 ? 34.729 5.808 9.860 1.00 11.60 ? ? ? ? ? ? 38 CYS A O 1 -ATOM 598 C CB . CYS A 1 38 ? 35.702 6.466 12.895 1.00 12.40 ? ? ? ? ? ? 38 CYS A CB 1 -ATOM 599 S SG . CYS A 1 38 ? 35.719 4.684 12.827 1.00 12.21 ? ? ? ? ? ? 38 CYS A SG 1 -ATOM 600 D D . CYS A 1 38 ? 33.052 6.073 11.478 1.00 11.38 ? ? ? ? ? ? 38 CYS A D 1 -ATOM 601 H HA . CYS A 1 38 ? 34.828 8.254 12.105 1.00 12.48 ? ? ? ? ? ? 38 CYS A HA 1 -ATOM 602 H HB2 . CYS A 1 38 ? 36.717 6.782 12.719 1.00 11.84 ? ? ? ? ? ? 38 CYS A HB2 1 -ATOM 603 H HB3 . CYS A 1 38 ? 35.376 6.694 13.914 1.00 11.11 ? ? ? ? ? ? 38 CYS A HB3 1 -ATOM 604 N N . ARG A 1 39 ? 36.341 7.375 10.042 1.00 12.46 ? ? ? ? ? ? 39 ARG A N 1 -ATOM 605 C CA . ARG A 1 39 ? 37.025 7.056 8.805 1.00 14.63 ? ? ? ? ? ? 39 ARG A CA 1 -ATOM 606 C C . ARG A 1 39 ? 36.187 7.227 7.520 1.00 12.13 ? ? ? ? ? ? 39 ARG A C 1 -ATOM 607 O O . ARG A 1 39 ? 36.332 6.391 6.640 1.00 13.93 ? ? ? ? ? ? 39 ARG A O 1 -ATOM 608 C CB . ARG A 1 39 ? 37.538 5.625 8.866 1.00 18.16 ? ? ? ? ? ? 39 ARG A CB 1 -ATOM 609 C CG . ARG A 1 39 ? 38.516 5.562 10.066 1.00 22.63 ? ? ? ? ? ? 39 ARG A CG 1 -ATOM 610 C CD . ARG A 1 39 ? 39.107 4.166 10.098 1.00 26.10 ? ? ? ? ? ? 39 ARG A CD 1 -ATOM 611 N NE . ARG A 1 39 ? 39.805 4.035 11.371 1.00 30.83 ? ? ? ? ? ? 39 ARG A NE 1 -ATOM 612 C CZ . ARG A 1 39 ? 40.590 3.032 11.775 1.00 32.34 ? ? ? ? ? ? 39 ARG A CZ 1 -ATOM 613 N NH1 . ARG A 1 39 ? 40.823 1.964 11.024 1.00 33.18 ? ? ? ? ? ? 39 ARG A NH1 1 -ATOM 614 N NH2 . ARG A 1 39 ? 41.144 3.105 12.987 1.00 33.57 ? ? ? ? ? ? 39 ARG A NH2 1 -ATOM 615 D D . ARG A 1 39 ? 36.670 8.142 10.540 1.00 12.82 ? ? ? ? ? ? 39 ARG A D 1 -ATOM 616 H HA . ARG A 1 39 ? 37.858 7.741 8.595 1.00 13.15 ? ? ? ? ? ? 39 ARG A HA 1 -ATOM 617 H HB2 . ARG A 1 39 ? 36.821 4.846 9.058 1.00 18.94 ? ? ? ? ? ? 39 ARG A HB2 1 -ATOM 618 H HB3 . ARG A 1 39 ? 38.127 5.322 8.011 1.00 18.72 ? ? ? ? ? ? 39 ARG A HB3 1 -ATOM 619 H HG2 . ARG A 1 39 ? 39.277 6.303 10.090 1.00 22.77 ? ? ? ? ? ? 39 ARG A HG2 1 -ATOM 620 H HG3 . ARG A 1 39 ? 38.016 5.637 10.981 1.00 22.29 ? ? ? ? ? ? 39 ARG A HG3 1 -ATOM 621 H HD2 . ARG A 1 39 ? 38.282 3.473 10.078 1.00 26.48 ? ? ? ? ? ? 39 ARG A HD2 1 -ATOM 622 H HD3 . ARG A 1 39 ? 39.633 4.052 9.207 1.00 26.96 ? ? ? ? ? ? 39 ARG A HD3 1 -ATOM 623 D DE . ARG A 1 39 ? 39.685 4.801 12.039 1.00 31.59 ? ? ? ? ? ? 39 ARG A DE 1 -ATOM 624 D DH11 . ARG A 1 39 ? 40.376 1.948 10.092 1.00 32.83 ? ? ? ? ? ? 39 ARG A DH11 1 -ATOM 625 D DH12 . ARG A 1 39 ? 41.429 1.235 11.413 1.00 32.46 ? ? ? ? ? ? 39 ARG A DH12 1 -ATOM 626 D DH21 . ARG A 1 39 ? 41.037 3.833 13.662 1.00 33.14 ? ? ? ? ? ? 39 ARG A DH21 1 -ATOM 627 D DH22 . ARG A 1 39 ? 41.738 2.325 13.284 1.00 33.33 ? ? ? ? ? ? 39 ARG A DH22 1 -ATOM 628 N N . ALA A 1 40 ? 35.456 8.280 7.530 1.00 11.13 ? ? ? ? ? ? 40 ALA A N 1 -ATOM 629 C CA . ALA A 1 40 ? 34.631 8.632 6.385 1.00 12.22 ? ? ? ? ? ? 40 ALA A CA 1 -ATOM 630 C C . ALA A 1 40 ? 35.497 8.734 5.135 1.00 13.37 ? ? ? ? ? ? 40 ALA A C 1 -ATOM 631 O O . ALA A 1 40 ? 36.687 9.115 5.137 1.00 14.12 ? ? ? ? ? ? 40 ALA A O 1 -ATOM 632 C CB . ALA A 1 40 ? 33.941 9.981 6.542 1.00 11.96 ? ? ? ? ? ? 40 ALA A CB 1 -ATOM 633 D D . ALA A 1 40 ? 35.340 8.972 8.208 1.00 12.73 ? ? ? ? ? ? 40 ALA A D 1 -ATOM 634 H HA . ALA A 1 40 ? 33.879 7.870 6.308 1.00 12.14 ? ? ? ? ? ? 40 ALA A HA 1 -ATOM 635 H HB1 . ALA A 1 40 ? 34.528 10.829 6.846 1.00 12.60 ? ? ? ? ? ? 40 ALA A HB1 1 -ATOM 636 H HB2 . ALA A 1 40 ? 33.456 10.198 5.563 1.00 12.13 ? ? ? ? ? ? 40 ALA A HB2 1 -ATOM 637 H HB3 . ALA A 1 40 ? 33.155 9.774 7.271 1.00 11.94 ? ? ? ? ? ? 40 ALA A HB3 1 -ATOM 638 N N . LYS A 1 41 ? 34.889 8.428 4.019 1.00 12.73 ? ? ? ? ? ? 41 LYS A N 1 -ATOM 639 C CA . LYS A 1 41 ? 35.456 8.549 2.638 1.00 12.34 ? ? ? ? ? ? 41 LYS A CA 1 -ATOM 640 C C . LYS A 1 41 ? 34.782 9.775 2.026 1.00 11.42 ? ? ? ? ? ? 41 LYS A C 1 -ATOM 641 O O . LYS A 1 41 ? 33.938 10.501 2.638 1.00 12.35 ? ? ? ? ? ? 41 LYS A O 1 -ATOM 642 C CB . LYS A 1 41 ? 35.426 7.283 1.843 1.00 15.66 ? ? ? ? ? ? 41 LYS A CB 1 -ATOM 643 C CG . LYS A 1 41 ? 36.330 6.177 2.314 1.00 17.23 ? ? ? ? ? ? 41 LYS A CG 1 -ATOM 644 C CD . LYS A 1 41 ? 36.220 4.925 1.492 1.00 21.83 ? ? ? ? ? ? 41 LYS A CD 1 -ATOM 645 C CE . LYS A 1 41 ? 36.972 3.830 2.249 1.00 24.86 ? ? ? ? ? ? 41 LYS A CE 1 -ATOM 646 N NZ . LYS A 1 41 ? 38.430 4.086 2.238 1.00 26.80 ? ? ? ? ? ? 41 LYS A NZ 1 -ATOM 647 D D . LYS A 1 41 ? 33.904 8.208 4.062 1.00 14.44 ? ? ? ? ? ? 41 LYS A D 1 -ATOM 648 H HA . LYS A 1 41 ? 36.456 8.823 2.962 1.00 13.22 ? ? ? ? ? ? 41 LYS A HA 1 -ATOM 649 H HB2 . LYS A 1 41 ? 34.348 7.148 1.817 1.00 14.20 ? ? ? ? ? ? 41 LYS A HB2 1 -ATOM 650 H HB3 . LYS A 1 41 ? 35.594 7.443 0.755 1.00 14.27 ? ? ? ? ? ? 41 LYS A HB3 1 -ATOM 651 H HG2 . LYS A 1 41 ? 37.409 6.485 2.376 1.00 18.75 ? ? ? ? ? ? 41 LYS A HG2 1 -ATOM 652 H HG3 . LYS A 1 41 ? 36.049 5.955 3.369 1.00 17.95 ? ? ? ? ? ? 41 LYS A HG3 1 -ATOM 653 H HD2 . LYS A 1 41 ? 35.216 4.451 1.494 1.00 20.99 ? ? ? ? ? ? 41 LYS A HD2 1 -ATOM 654 H HD3 . LYS A 1 41 ? 36.531 4.849 0.453 1.00 21.24 ? ? ? ? ? ? 41 LYS A HD3 1 -ATOM 655 H HE2 . LYS A 1 41 ? 36.740 3.973 3.315 1.00 24.44 ? ? ? ? ? ? 41 LYS A HE2 1 -ATOM 656 H HE3 . LYS A 1 41 ? 36.742 2.821 1.974 1.00 24.67 ? ? ? ? ? ? 41 LYS A HE3 1 -ATOM 657 D DZ1 . LYS A 1 41 ? 38.697 5.072 2.091 1.00 27.28 ? ? ? ? ? ? 41 LYS A DZ1 1 -ATOM 658 D DZ2 . LYS A 1 41 ? 38.774 3.778 3.195 1.00 28.13 ? ? ? ? ? ? 41 LYS A DZ2 1 -ATOM 659 D DZ3 . LYS A 1 41 ? 38.960 3.393 1.688 1.00 27.94 ? ? ? ? ? ? 41 LYS A DZ3 1 -ATOM 660 N N . ARG A 1 42 ? 35.115 10.128 0.777 1.00 9.56 ? ? ? ? ? ? 42 ARG A N 1 -ATOM 661 C CA . ARG A 1 42 ? 34.659 11.372 0.167 1.00 9.93 ? ? ? ? ? ? 42 ARG A CA 1 -ATOM 662 C C . ARG A 1 42 ? 33.178 11.332 -0.259 1.00 7.40 ? ? ? ? ? ? 42 ARG A C 1 -ATOM 663 O O . ARG A 1 42 ? 32.599 12.401 -0.162 1.00 9.71 ? ? ? ? ? ? 42 ARG A O 1 -ATOM 664 C CB . ARG A 1 42 ? 35.554 11.797 -0.960 1.00 10.35 ? ? ? ? ? ? 42 ARG A CB 1 -ATOM 665 C CG . ARG A 1 42 ? 36.918 12.265 -0.568 1.00 13.91 ? ? ? ? ? ? 42 ARG A CG 1 -ATOM 666 C CD . ARG A 1 42 ? 37.957 12.565 -1.588 1.00 15.78 ? ? ? ? ? ? 42 ARG A CD 1 -ATOM 667 N NE . ARG A 1 42 ? 38.393 11.235 -1.972 1.00 21.96 ? ? ? ? ? ? 42 ARG A NE 1 -ATOM 668 C CZ . ARG A 1 42 ? 39.092 10.993 -3.114 1.00 24.68 ? ? ? ? ? ? 42 ARG A CZ 1 -ATOM 669 N NH1 . ARG A 1 42 ? 39.486 11.979 -3.942 1.00 25.19 ? ? ? ? ? ? 42 ARG A NH1 1 -ATOM 670 N NH2 . ARG A 1 42 ? 39.446 9.734 -3.428 1.00 26.22 ? ? ? ? ? ? 42 ARG A NH2 1 -ATOM 671 D D . ARG A 1 42 ? 35.813 9.575 0.318 1.00 11.76 ? ? ? ? ? ? 42 ARG A D 1 -ATOM 672 H HA . ARG A 1 42 ? 34.712 12.168 0.950 1.00 8.89 ? ? ? ? ? ? 42 ARG A HA 1 -ATOM 673 H HB2 . ARG A 1 42 ? 35.629 10.967 -1.690 1.00 11.16 ? ? ? ? ? ? 42 ARG A HB2 1 -ATOM 674 H HB3 . ARG A 1 42 ? 35.017 12.458 -1.640 1.00 11.51 ? ? ? ? ? ? 42 ARG A HB3 1 -ATOM 675 H HG2 . ARG A 1 42 ? 36.981 13.025 0.221 1.00 12.33 ? ? ? ? ? ? 42 ARG A HG2 1 -ATOM 676 H HG3 . ARG A 1 42 ? 37.355 11.538 0.099 1.00 11.94 ? ? ? ? ? ? 42 ARG A HG3 1 -ATOM 677 H HD2 . ARG A 1 42 ? 37.373 13.009 -2.423 1.00 17.32 ? ? ? ? ? ? 42 ARG A HD2 1 -ATOM 678 H HD3 . ARG A 1 42 ? 38.645 13.283 -1.256 1.00 17.71 ? ? ? ? ? ? 42 ARG A HD3 1 -ATOM 679 D DE . ARG A 1 42 ? 38.164 10.450 -1.415 1.00 22.92 ? ? ? ? ? ? 42 ARG A DE 1 -ATOM 680 D DH11 . ARG A 1 42 ? 40.007 11.665 -4.784 1.00 24.97 ? ? ? ? ? ? 42 ARG A DH11 1 -ATOM 681 D DH12 . ARG A 1 42 ? 39.258 12.965 -3.814 1.00 24.43 ? ? ? ? ? ? 42 ARG A DH12 1 -ATOM 682 D DH21 . ARG A 1 42 ? 39.244 8.893 -2.906 1.00 25.17 ? ? ? ? ? ? 42 ARG A DH21 1 -ATOM 683 D DH22 . ARG A 1 42 ? 39.963 9.580 -4.300 1.00 25.13 ? ? ? ? ? ? 42 ARG A DH22 1 -ATOM 684 N N . ASN A 1 43 ? 32.662 10.208 -0.618 1.00 7.80 ? ? ? ? ? ? 43 ASN A N 1 -ATOM 685 C CA . ASN A 1 43 ? 31.235 10.157 -1.075 1.00 7.75 ? ? ? ? ? ? 43 ASN A CA 1 -ATOM 686 C C . ASN A 1 43 ? 30.363 9.898 0.175 1.00 7.34 ? ? ? ? ? ? 43 ASN A C 1 -ATOM 687 O O . ASN A 1 43 ? 29.830 8.807 0.431 1.00 7.64 ? ? ? ? ? ? 43 ASN A O 1 -ATOM 688 C CB . ASN A 1 43 ? 31.158 9.006 -2.072 1.00 8.94 ? ? ? ? ? ? 43 ASN A CB 1 -ATOM 689 C CG . ASN A 1 43 ? 29.799 9.033 -2.770 1.00 8.97 ? ? ? ? ? ? 43 ASN A CG 1 -ATOM 690 O OD1 . ASN A 1 43 ? 29.002 9.968 -2.653 1.00 9.17 ? ? ? ? ? ? 43 ASN A OD1 1 -ATOM 691 N ND2 . ASN A 1 43 ? 29.533 8.007 -3.503 1.00 10.14 ? ? ? ? ? ? 43 ASN A ND2 1 -ATOM 692 D D . ASN A 1 43 ? 33.214 9.377 -0.662 1.00 8.50 ? ? ? ? ? ? 43 ASN A D 1 -ATOM 693 H HA . ASN A 1 43 ? 31.097 11.126 -1.506 1.00 9.50 ? ? ? ? ? ? 43 ASN A HA 1 -ATOM 694 H HB2 . ASN A 1 43 ? 31.986 9.096 -2.796 1.00 7.95 ? ? ? ? ? ? 43 ASN A HB2 1 -ATOM 695 H HB3 . ASN A 1 43 ? 31.442 8.069 -1.533 1.00 8.39 ? ? ? ? ? ? 43 ASN A HB3 1 -ATOM 696 D DD21 . ASN A 1 43 ? 30.286 7.249 -3.480 1.00 13.15 ? ? ? ? ? ? 43 ASN A DD21 1 -ATOM 697 D DD22 . ASN A 1 43 ? 28.694 7.778 -4.043 1.00 12.66 ? ? ? ? ? ? 43 ASN A DD22 1 -ATOM 698 N N . ASN A 1 44 ? 30.329 10.926 0.929 1.00 7.27 ? ? ? ? ? ? 44 ASN A N 1 -ATOM 699 C CA . ASN A 1 44 ? 29.680 10.998 2.281 1.00 8.28 ? ? ? ? ? ? 44 ASN A CA 1 -ATOM 700 C C . ASN A 1 44 ? 29.441 12.481 2.513 1.00 7.79 ? ? ? ? ? ? 44 ASN A C 1 -ATOM 701 O O . ASN A 1 44 ? 30.374 13.253 2.640 1.00 9.89 ? ? ? ? ? ? 44 ASN A O 1 -ATOM 702 C CB . ASN A 1 44 ? 30.579 10.298 3.287 1.00 9.05 ? ? ? ? ? ? 44 ASN A CB 1 -ATOM 703 C CG . ASN A 1 44 ? 30.097 10.342 4.770 1.00 10.15 ? ? ? ? ? ? 44 ASN A CG 1 -ATOM 704 O OD1 . ASN A 1 44 ? 29.353 11.223 5.157 1.00 11.10 ? ? ? ? ? ? 44 ASN A OD1 1 -ATOM 705 N ND2 . ASN A 1 44 ? 30.593 9.396 5.525 1.00 10.18 ? ? ? ? ? ? 44 ASN A ND2 1 -ATOM 706 D D . ASN A 1 44 ? 30.784 11.813 0.848 1.00 8.27 ? ? ? ? ? ? 44 ASN A D 1 -ATOM 707 H HA . ASN A 1 44 ? 28.831 10.413 2.219 1.00 7.51 ? ? ? ? ? ? 44 ASN A HA 1 -ATOM 708 H HB2 . ASN A 1 44 ? 30.842 9.286 3.128 1.00 10.20 ? ? ? ? ? ? 44 ASN A HB2 1 -ATOM 709 H HB3 . ASN A 1 44 ? 31.523 10.823 3.352 1.00 9.86 ? ? ? ? ? ? 44 ASN A HB3 1 -ATOM 710 D DD21 . ASN A 1 44 ? 30.296 9.403 6.524 1.00 11.65 ? ? ? ? ? ? 44 ASN A DD21 1 -ATOM 711 D DD22 . ASN A 1 44 ? 31.216 8.687 5.150 1.00 9.99 ? ? ? ? ? ? 44 ASN A DD22 1 -ATOM 712 N N . PHE A 1 45 ? 28.153 12.815 2.580 1.00 7.78 ? ? ? ? ? ? 45 PHE A N 1 -ATOM 713 C CA . PHE A 1 45 ? 27.732 14.188 2.696 1.00 9.51 ? ? ? ? ? ? 45 PHE A CA 1 -ATOM 714 C C . PHE A 1 45 ? 26.649 14.315 3.805 1.00 10.10 ? ? ? ? ? ? 45 PHE A C 1 -ATOM 715 O O . PHE A 1 45 ? 25.856 13.419 4.021 1.00 9.63 ? ? ? ? ? ? 45 PHE A O 1 -ATOM 716 C CB . PHE A 1 45 ? 27.054 14.595 1.345 1.00 11.02 ? ? ? ? ? ? 45 PHE A CB 1 -ATOM 717 C CG . PHE A 1 45 ? 27.916 14.462 0.140 1.00 10.38 ? ? ? ? ? ? 45 PHE A CG 1 -ATOM 718 C CD1 . PHE A 1 45 ? 27.953 13.294 -0.602 1.00 11.42 ? ? ? ? ? ? 45 PHE A CD1 1 -ATOM 719 C CD2 . PHE A 1 45 ? 28.752 15.525 -0.138 1.00 11.42 ? ? ? ? ? ? 45 PHE A CD2 1 -ATOM 720 C CE1 . PHE A 1 45 ? 28.783 13.173 -1.704 1.00 10.82 ? ? ? ? ? ? 45 PHE A CE1 1 -ATOM 721 C CE2 . PHE A 1 45 ? 29.615 15.424 -1.250 1.00 11.73 ? ? ? ? ? ? 45 PHE A CE2 1 -ATOM 722 C CZ . PHE A 1 45 ? 29.599 14.241 -1.990 1.00 11.68 ? ? ? ? ? ? 45 PHE A CZ 1 -ATOM 723 H H . PHE A 1 45 ? 27.398 12.157 2.411 1.00 9.18 ? ? ? ? ? ? 45 PHE A H 1 -ATOM 724 H HA . PHE A 1 45 ? 28.527 14.889 2.741 1.00 10.24 ? ? ? ? ? ? 45 PHE A HA 1 -ATOM 725 H HB2 . PHE A 1 45 ? 26.350 13.759 1.326 1.00 9.92 ? ? ? ? ? ? 45 PHE A HB2 1 -ATOM 726 H HB3 . PHE A 1 45 ? 26.487 15.501 1.444 1.00 10.03 ? ? ? ? ? ? 45 PHE A HB3 1 -ATOM 727 H HD1 . PHE A 1 45 ? 27.341 12.513 -0.316 1.00 11.59 ? ? ? ? ? ? 45 PHE A HD1 1 -ATOM 728 H HD2 . PHE A 1 45 ? 28.699 16.440 0.415 1.00 11.56 ? ? ? ? ? ? 45 PHE A HD2 1 -ATOM 729 H HE1 . PHE A 1 45 ? 28.840 12.308 -2.293 1.00 11.54 ? ? ? ? ? ? 45 PHE A HE1 1 -ATOM 730 H HE2 . PHE A 1 45 ? 30.188 16.207 -1.556 1.00 11.41 ? ? ? ? ? ? 45 PHE A HE2 1 -ATOM 731 H HZ . PHE A 1 45 ? 30.224 14.157 -2.851 1.00 10.58 ? ? ? ? ? ? 45 PHE A HZ 1 -ATOM 732 N N . LYS A 1 46 ? 26.654 15.523 4.326 1.00 13.15 ? ? ? ? ? ? 46 LYS A N 1 -ATOM 733 C CA . LYS A 1 46 ? 25.670 15.810 5.399 1.00 15.31 ? ? ? ? ? ? 46 LYS A CA 1 -ATOM 734 C C . LYS A 1 46 ? 24.360 16.291 4.876 1.00 14.98 ? ? ? ? ? ? 46 LYS A C 1 -ATOM 735 O O . LYS A 1 46 ? 23.386 16.226 5.649 1.00 16.56 ? ? ? ? ? ? 46 LYS A O 1 -ATOM 736 C CB . LYS A 1 46 ? 26.188 16.720 6.512 1.00 17.44 ? ? ? ? ? ? 46 LYS A CB 1 -ATOM 737 C CG . LYS A 1 46 ? 27.318 16.084 7.335 1.00 19.58 ? ? ? ? ? ? 46 LYS A CG 1 -ATOM 738 C CD . LYS A 1 46 ? 27.843 17.081 8.391 1.00 22.85 ? ? ? ? ? ? 46 LYS A CD 1 -ATOM 739 C CE . LYS A 1 46 ? 29.236 16.576 8.669 1.00 24.99 ? ? ? ? ? ? 46 LYS A CE 1 -ATOM 740 N NZ . LYS A 1 46 ? 29.962 17.327 9.705 1.00 27.16 ? ? ? ? ? ? 46 LYS A NZ 1 -ATOM 741 D D . LYS A 1 46 ? 27.344 16.221 4.047 1.00 11.41 ? ? ? ? ? ? 46 LYS A D 1 -ATOM 742 H HA . LYS A 1 46 ? 25.458 14.851 5.822 1.00 14.17 ? ? ? ? ? ? 46 LYS A HA 1 -ATOM 743 H HB2 . LYS A 1 46 ? 26.587 17.609 5.990 1.00 17.47 ? ? ? ? ? ? 46 LYS A HB2 1 -ATOM 744 H HB3 . LYS A 1 46 ? 25.404 16.946 7.222 1.00 17.90 ? ? ? ? ? ? 46 LYS A HB3 1 -ATOM 745 H HG2 . LYS A 1 46 ? 27.027 15.200 7.891 1.00 20.31 ? ? ? ? ? ? 46 LYS A HG2 1 -ATOM 746 H HG3 . LYS A 1 46 ? 28.203 15.916 6.737 1.00 20.28 ? ? ? ? ? ? 46 LYS A HG3 1 -ATOM 747 H HD2 . LYS A 1 46 ? 28.122 17.991 7.798 1.00 22.17 ? ? ? ? ? ? 46 LYS A HD2 1 -ATOM 748 H HD3 . LYS A 1 46 ? 27.135 17.420 9.101 1.00 22.77 ? ? ? ? ? ? 46 LYS A HD3 1 -ATOM 749 H HE2 . LYS A 1 46 ? 29.175 15.510 8.907 1.00 24.93 ? ? ? ? ? ? 46 LYS A HE2 1 -ATOM 750 H HE3 . LYS A 1 46 ? 29.805 16.640 7.728 1.00 25.66 ? ? ? ? ? ? 46 LYS A HE3 1 -ATOM 751 D DZ1 . LYS A 1 46 ? 29.318 17.242 10.520 1.00 26.85 ? ? ? ? ? ? 46 LYS A DZ1 1 -ATOM 752 D DZ2 . LYS A 1 46 ? 30.949 17.000 9.856 1.00 27.02 ? ? ? ? ? ? 46 LYS A DZ2 1 -ATOM 753 D DZ3 . LYS A 1 46 ? 30.127 18.313 9.416 1.00 27.47 ? ? ? ? ? ? 46 LYS A DZ3 1 -ATOM 754 N N . SER A 1 47 ? 24.337 16.734 3.622 1.00 15.47 ? ? ? ? ? ? 47 SER A N 1 -ATOM 755 C CA . SER A 1 47 ? 23.068 17.191 3.061 1.00 15.09 ? ? ? ? ? ? 47 SER A CA 1 -ATOM 756 C C . SER A 1 47 ? 22.980 16.742 1.594 1.00 14.56 ? ? ? ? ? ? 47 SER A C 1 -ATOM 757 O O . SER A 1 47 ? 24.015 16.567 0.916 1.00 13.03 ? ? ? ? ? ? 47 SER A O 1 -ATOM 758 C CB . SER A 1 47 ? 22.880 18.711 3.060 1.00 15.63 ? ? ? ? ? ? 47 SER A CB 1 -ATOM 759 O OG . SER A 1 47 ? 23.822 19.258 2.193 1.00 16.91 ? ? ? ? ? ? 47 SER A OG 1 -ATOM 760 D D . SER A 1 47 ? 25.180 16.751 3.053 1.00 15.56 ? ? ? ? ? ? 47 SER A D 1 -ATOM 761 H HA . SER A 1 47 ? 22.206 16.804 3.574 1.00 15.83 ? ? ? ? ? ? 47 SER A HA 1 -ATOM 762 H HB2 . SER A 1 47 ? 21.900 18.919 2.598 1.00 16.01 ? ? ? ? ? ? 47 SER A HB2 1 -ATOM 763 H HB3 . SER A 1 47 ? 22.965 19.264 4.004 1.00 15.86 ? ? ? ? ? ? 47 SER A HB3 1 -ATOM 764 D DG . SER A 1 47 ? 24.248 20.035 2.505 1.00 19.57 ? ? ? ? ? ? 47 SER A DG 1 -ATOM 765 N N . ALA A 1 48 ? 21.747 16.565 1.233 1.00 14.50 ? ? ? ? ? ? 48 ALA A N 1 -ATOM 766 C CA . ALA A 1 48 ? 21.452 16.202 -0.192 1.00 15.49 ? ? ? ? ? ? 48 ALA A CA 1 -ATOM 767 C C . ALA A 1 48 ? 21.889 17.264 -1.204 1.00 14.13 ? ? ? ? ? ? 48 ALA A C 1 -ATOM 768 O O . ALA A 1 48 ? 22.320 16.959 -2.338 1.00 13.28 ? ? ? ? ? ? 48 ALA A O 1 -ATOM 769 C CB . ALA A 1 48 ? 19.991 15.849 -0.356 1.00 16.34 ? ? ? ? ? ? 48 ALA A CB 1 -ATOM 770 D D . ALA A 1 48 ? 20.954 16.674 1.802 1.00 15.14 ? ? ? ? ? ? 48 ALA A D 1 -ATOM 771 H HA . ALA A 1 48 ? 22.244 15.481 -0.310 1.00 14.31 ? ? ? ? ? ? 48 ALA A HA 1 -ATOM 772 H HB1 . ALA A 1 48 ? 19.319 16.642 -0.038 1.00 15.97 ? ? ? ? ? ? 48 ALA A HB1 1 -ATOM 773 H HB2 . ALA A 1 48 ? 19.800 15.524 -1.385 1.00 16.04 ? ? ? ? ? ? 48 ALA A HB2 1 -ATOM 774 H HB3 . ALA A 1 48 ? 19.794 14.988 0.281 1.00 16.24 ? ? ? ? ? ? 48 ALA A HB3 1 -ATOM 775 N N . GLU A 1 49 ? 21.835 18.530 -0.819 1.00 14.30 ? ? ? ? ? ? 49 GLU A N 1 -ATOM 776 C CA . GLU A 1 49 ? 22.235 19.620 -1.652 1.00 16.73 ? ? ? ? ? ? 49 GLU A CA 1 -ATOM 777 C C . GLU A 1 49 ? 23.740 19.554 -1.891 1.00 14.46 ? ? ? ? ? ? 49 GLU A C 1 -ATOM 778 O O . GLU A 1 49 ? 24.137 19.730 -3.053 1.00 14.56 ? ? ? ? ? ? 49 GLU A O 1 -ATOM 779 C CB . GLU A 1 49 ? 21.766 20.869 -0.865 1.00 21.56 ? ? ? ? ? ? 49 GLU A CB 1 -ATOM 780 C CG . GLU A 1 49 ? 20.367 20.737 -0.179 1.00 26.75 ? ? ? ? ? ? 49 GLU A CG 1 -ATOM 781 C CD . GLU A 1 49 ? 19.919 19.894 0.994 1.00 29.54 ? ? ? ? ? ? 49 GLU A CD 1 -ATOM 782 O OE1 . GLU A 1 49 ? 19.414 18.784 1.212 1.00 32.40 ? ? ? ? ? ? 49 GLU A OE1 1 -ATOM 783 O OE2 . GLU A 1 49 ? 19.912 20.253 2.202 1.00 34.26 ? ? ? ? ? ? 49 GLU A OE2 1 -ATOM 784 D D . GLU A 1 49 ? 21.514 18.770 0.081 1.00 15.94 ? ? ? ? ? ? 49 GLU A D 1 -ATOM 785 H HA . GLU A 1 49 ? 21.885 19.789 -2.644 1.00 17.10 ? ? ? ? ? ? 49 GLU A HA 1 -ATOM 786 H HB2 . GLU A 1 49 ? 22.360 20.677 0.079 1.00 21.05 ? ? ? ? ? ? 49 GLU A HB2 1 -ATOM 787 H HB3 . GLU A 1 49 ? 22.360 21.702 -1.159 1.00 21.64 ? ? ? ? ? ? 49 GLU A HB3 1 -ATOM 788 H HG2 . GLU A 1 49 ? 20.001 21.722 0.047 1.00 26.97 ? ? ? ? ? ? 49 GLU A HG2 1 -ATOM 789 H HG3 . GLU A 1 49 ? 19.803 20.281 -0.976 1.00 26.35 ? ? ? ? ? ? 49 GLU A HG3 1 -ATOM 790 N N . ASP A 1 50 ? 24.537 19.331 -0.858 1.00 14.10 ? ? ? ? ? ? 50 ASP A N 1 -ATOM 791 C CA . ASP A 1 50 ? 25.961 19.288 -1.082 1.00 13.93 ? ? ? ? ? ? 50 ASP A CA 1 -ATOM 792 C C . ASP A 1 50 ? 26.280 18.071 -1.961 1.00 11.78 ? ? ? ? ? ? 50 ASP A C 1 -ATOM 793 O O . ASP A 1 50 ? 27.149 18.165 -2.795 1.00 12.10 ? ? ? ? ? ? 50 ASP A O 1 -ATOM 794 C CB . ASP A 1 50 ? 26.695 18.778 0.111 1.00 18.61 ? ? ? ? ? ? 50 ASP A CB 1 -ATOM 795 C CG . ASP A 1 50 ? 27.499 19.674 0.972 1.00 25.48 ? ? ? ? ? ? 50 ASP A CG 1 -ATOM 796 O OD1 . ASP A 1 50 ? 26.759 20.572 1.375 1.00 29.01 ? ? ? ? ? ? 50 ASP A OD1 1 -ATOM 797 O OD2 . ASP A 1 50 ? 28.655 19.195 1.020 1.00 27.88 ? ? ? ? ? ? 50 ASP A OD2 1 -ATOM 798 D D . ASP A 1 50 ? 24.173 19.185 0.045 1.00 14.90 ? ? ? ? ? ? 50 ASP A D 1 -ATOM 799 H HA . ASP A 1 50 ? 26.388 20.193 -1.435 1.00 14.65 ? ? ? ? ? ? 50 ASP A HA 1 -ATOM 800 H HB2 . ASP A 1 50 ? 26.126 18.142 0.783 1.00 18.57 ? ? ? ? ? ? 50 ASP A HB2 1 -ATOM 801 H HB3 . ASP A 1 50 ? 27.390 17.949 -0.167 1.00 19.69 ? ? ? ? ? ? 50 ASP A HB3 1 -ATOM 802 N N . CYS A 1 51 ? 25.605 16.956 -1.732 1.00 10.22 ? ? ? ? ? ? 51 CYS A N 1 -ATOM 803 C CA . CYS A 1 51 ? 25.822 15.753 -2.493 1.00 10.57 ? ? ? ? ? ? 51 CYS A CA 1 -ATOM 804 C C . CYS A 1 51 ? 25.591 15.998 -3.994 1.00 11.23 ? ? ? ? ? ? 51 CYS A C 1 -ATOM 805 O O . CYS A 1 51 ? 26.397 15.689 -4.871 1.00 11.33 ? ? ? ? ? ? 51 CYS A O 1 -ATOM 806 C CB . CYS A 1 51 ? 24.941 14.644 -1.926 1.00 9.71 ? ? ? ? ? ? 51 CYS A CB 1 -ATOM 807 S SG . CYS A 1 51 ? 25.055 13.060 -2.815 1.00 10.82 ? ? ? ? ? ? 51 CYS A SG 1 -ATOM 808 D D . CYS A 1 51 ? 24.881 16.926 -1.041 1.00 11.98 ? ? ? ? ? ? 51 CYS A D 1 -ATOM 809 H HA . CYS A 1 51 ? 26.840 15.447 -2.313 1.00 9.86 ? ? ? ? ? ? 51 CYS A HA 1 -ATOM 810 H HB2 . CYS A 1 51 ? 25.207 14.370 -0.935 1.00 9.50 ? ? ? ? ? ? 51 CYS A HB2 1 -ATOM 811 H HB3 . CYS A 1 51 ? 23.907 14.950 -1.834 1.00 10.27 ? ? ? ? ? ? 51 CYS A HB3 1 -ATOM 812 N N . MET A 1 52 ? 24.405 16.565 -4.212 1.00 12.19 ? ? ? ? ? ? 52 MET A N 1 -ATOM 813 C CA . MET A 1 52 ? 23.975 16.860 -5.592 1.00 15.04 ? ? ? ? ? ? 52 MET A CA 1 -ATOM 814 C C . MET A 1 52 ? 24.865 17.909 -6.259 1.00 15.23 ? ? ? ? ? ? 52 MET A C 1 -ATOM 815 O O . MET A 1 52 ? 25.254 17.714 -7.432 1.00 16.42 ? ? ? ? ? ? 52 MET A O 1 -ATOM 816 C CB . MET A 1 52 ? 22.481 17.237 -5.692 1.00 16.60 ? ? ? ? ? ? 52 MET A CB 1 -ATOM 817 C CG A MET A 1 52 ? 21.619 16.002 -5.527 0.50 16.58 ? ? ? ? ? ? 52 MET A CG 1 -ATOM 818 C CG B MET A 1 52 ? 21.536 16.149 -5.278 0.50 19.07 ? ? ? ? ? ? 52 MET A CG 1 -ATOM 819 S SD A MET A 1 52 ? 21.684 14.673 -6.752 0.50 17.21 ? ? ? ? ? ? 52 MET A SD 1 -ATOM 820 S SD B MET A 1 52 ? 19.845 16.563 -5.694 0.50 21.60 ? ? ? ? ? ? 52 MET A SD 1 -ATOM 821 C CE A MET A 1 52 ? 20.896 15.481 -8.152 0.50 17.25 ? ? ? ? ? ? 52 MET A CE 1 -ATOM 822 C CE B MET A 1 52 ? 19.639 18.241 -5.038 0.50 20.98 ? ? ? ? ? ? 52 MET A CE 1 -ATOM 823 D D . MET A 1 52 ? 23.741 16.776 -3.521 1.00 11.71 ? ? ? ? ? ? 52 MET A D 1 -ATOM 824 H HA . MET A 1 52 ? 24.027 15.986 -6.232 1.00 14.64 ? ? ? ? ? ? 52 MET A HA 1 -ATOM 825 H HB2 . MET A 1 52 ? 22.275 18.123 -5.117 1.00 16.08 ? ? ? ? ? ? 52 MET A HB2 1 -ATOM 826 H HB3 . MET A 1 52 ? 22.460 17.461 -6.770 1.00 15.52 ? ? ? ? ? ? 52 MET A HB3 1 -ATOM 827 H HG2 A MET A 1 52 ? 22.023 15.418 -4.676 0.50 16.82 ? ? ? ? ? ? 52 MET A HG2 1 -ATOM 828 H HG2 B MET A 1 52 ? 21.648 15.214 -5.841 0.50 19.25 ? ? ? ? ? ? 52 MET A HG2 1 -ATOM 829 H HG3 A MET A 1 52 ? 20.574 16.201 -5.322 0.50 16.79 ? ? ? ? ? ? 52 MET A HG3 1 -ATOM 830 H HG3 B MET A 1 52 ? 21.552 15.928 -4.213 0.50 19.04 ? ? ? ? ? ? 52 MET A HG3 1 -ATOM 831 H HE1 A MET A 1 52 ? 21.506 16.358 -8.341 0.50 17.36 ? ? ? ? ? ? 52 MET A HE1 1 -ATOM 832 H HE1 B MET A 1 52 ? 20.257 18.263 -4.174 0.50 20.84 ? ? ? ? ? ? 52 MET A HE1 1 -ATOM 833 H HE2 A MET A 1 52 ? 21.243 14.908 -9.046 0.50 16.78 ? ? ? ? ? ? 52 MET A HE2 1 -ATOM 834 H HE2 B MET A 1 52 ? 20.012 18.845 -5.860 0.50 20.71 ? ? ? ? ? ? 52 MET A HE2 1 -ATOM 835 H HE3 A MET A 1 52 ? 19.853 15.441 -8.108 0.50 17.36 ? ? ? ? ? ? 52 MET A HE3 1 -ATOM 836 H HE3 B MET A 1 52 ? 18.576 18.325 -4.893 0.50 20.87 ? ? ? ? ? ? 52 MET A HE3 1 -ATOM 837 N N . ARG A 1 53 ? 25.206 18.931 -5.556 1.00 17.25 ? ? ? ? ? ? 53 ARG A N 1 -ATOM 838 C CA . ARG A 1 53 ? 26.111 19.970 -6.044 1.00 19.58 ? ? ? ? ? ? 53 ARG A CA 1 -ATOM 839 C C . ARG A 1 53 ? 27.493 19.419 -6.400 1.00 19.14 ? ? ? ? ? ? 53 ARG A C 1 -ATOM 840 O O . ARG A 1 53 ? 28.105 19.894 -7.379 1.00 18.79 ? ? ? ? ? ? 53 ARG A O 1 -ATOM 841 C CB . ARG A 1 53 ? 26.365 20.989 -4.925 1.00 21.70 ? ? ? ? ? ? 53 ARG A CB 1 -ATOM 842 C CG . ARG A 1 53 ? 27.106 22.225 -5.375 1.00 24.59 ? ? ? ? ? ? 53 ARG A CG 1 -ATOM 843 C CD . ARG A 1 53 ? 26.494 23.431 -4.716 1.00 26.49 ? ? ? ? ? ? 53 ARG A CD 1 -ATOM 844 N NE . ARG A 1 53 ? 26.503 23.143 -3.308 1.00 30.03 ? ? ? ? ? ? 53 ARG A NE 1 -ATOM 845 C CZ . ARG A 1 53 ? 25.536 23.635 -2.543 1.00 30.47 ? ? ? ? ? ? 53 ARG A CZ 1 -ATOM 846 N NH1 . ARG A 1 53 ? 24.554 24.368 -3.034 1.00 31.82 ? ? ? ? ? ? 53 ARG A NH1 1 -ATOM 847 N NH2 . ARG A 1 53 ? 25.533 23.348 -1.271 1.00 30.70 ? ? ? ? ? ? 53 ARG A NH2 1 -ATOM 848 D D . ARG A 1 53 ? 24.877 19.095 -4.635 1.00 17.26 ? ? ? ? ? ? 53 ARG A D 1 -ATOM 849 H HA . ARG A 1 53 ? 25.631 20.419 -6.896 1.00 19.36 ? ? ? ? ? ? 53 ARG A HA 1 -ATOM 850 H HB2 . ARG A 1 53 ? 25.336 21.264 -4.675 1.00 21.99 ? ? ? ? ? ? 53 ARG A HB2 1 -ATOM 851 H HB3 . ARG A 1 53 ? 26.827 20.450 -4.106 1.00 22.43 ? ? ? ? ? ? 53 ARG A HB3 1 -ATOM 852 H HG2 . ARG A 1 53 ? 28.119 22.368 -5.525 1.00 24.05 ? ? ? ? ? ? 53 ARG A HG2 1 -ATOM 853 H HG3 . ARG A 1 53 ? 26.672 22.362 -6.390 1.00 23.86 ? ? ? ? ? ? 53 ARG A HG3 1 -ATOM 854 H HD2 . ARG A 1 53 ? 27.053 24.242 -5.072 1.00 27.41 ? ? ? ? ? ? 53 ARG A HD2 1 -ATOM 855 H HD3 . ARG A 1 53 ? 25.499 23.574 -5.080 1.00 27.53 ? ? ? ? ? ? 53 ARG A HD3 1 -ATOM 856 D DE . ARG A 1 53 ? 27.225 22.565 -2.844 1.00 30.30 ? ? ? ? ? ? 53 ARG A DE 1 -ATOM 857 D DH11 . ARG A 1 53 ? 23.854 24.661 -2.321 1.00 30.67 ? ? ? ? ? ? 53 ARG A DH11 1 -ATOM 858 D DH12 . ARG A 1 53 ? 24.517 24.609 -4.036 1.00 30.96 ? ? ? ? ? ? 53 ARG A DH12 1 -ATOM 859 D DH21 . ARG A 1 53 ? 26.264 22.781 -0.865 1.00 31.15 ? ? ? ? ? ? 53 ARG A DH21 1 -ATOM 860 D DH22 . ARG A 1 53 ? 24.762 23.749 -0.724 1.00 31.05 ? ? ? ? ? ? 53 ARG A DH22 1 -ATOM 861 N N . THR A 1 54 ? 28.014 18.446 -5.647 1.00 16.27 ? ? ? ? ? ? 54 THR A N 1 -ATOM 862 C CA . THR A 1 54 ? 29.317 17.889 -5.933 1.00 15.50 ? ? ? ? ? ? 54 THR A CA 1 -ATOM 863 C C . THR A 1 54 ? 29.360 16.811 -7.019 1.00 14.44 ? ? ? ? ? ? 54 THR A C 1 -ATOM 864 O O . THR A 1 54 ? 30.323 16.753 -7.836 1.00 14.74 ? ? ? ? ? ? 54 THR A O 1 -ATOM 865 C CB . THR A 1 54 ? 29.884 17.308 -4.599 1.00 16.69 ? ? ? ? ? ? 54 THR A CB 1 -ATOM 866 O OG1 . THR A 1 54 ? 29.915 18.356 -3.628 1.00 17.09 ? ? ? ? ? ? 54 THR A OG1 1 -ATOM 867 C CG2 . THR A 1 54 ? 31.252 16.617 -4.794 1.00 16.12 ? ? ? ? ? ? 54 THR A CG2 1 -ATOM 868 D D . THR A 1 54 ? 27.440 18.111 -4.892 1.00 18.36 ? ? ? ? ? ? 54 THR A D 1 -ATOM 869 H HA . THR A 1 54 ? 30.069 18.613 -6.258 1.00 15.14 ? ? ? ? ? ? 54 THR A HA 1 -ATOM 870 H HB . THR A 1 54 ? 29.173 16.550 -4.194 1.00 16.74 ? ? ? ? ? ? 54 THR A HB 1 -ATOM 871 D DG1 . THR A 1 54 ? 29.012 18.597 -3.318 1.00 16.70 ? ? ? ? ? ? 54 THR A DG1 1 -ATOM 872 H HG21 . THR A 1 54 ? 31.801 17.152 -5.610 1.00 17.37 ? ? ? ? ? ? 54 THR A HG21 1 -ATOM 873 H HG22 . THR A 1 54 ? 31.759 16.514 -3.853 1.00 17.09 ? ? ? ? ? ? 54 THR A HG22 1 -ATOM 874 H HG23 . THR A 1 54 ? 31.026 15.693 -5.309 1.00 17.52 ? ? ? ? ? ? 54 THR A HG23 1 -ATOM 875 N N . CYS A 1 55 ? 28.364 15.919 -6.980 1.00 12.64 ? ? ? ? ? ? 55 CYS A N 1 -ATOM 876 C CA . CYS A 1 55 ? 28.337 14.779 -7.839 1.00 14.57 ? ? ? ? ? ? 55 CYS A CA 1 -ATOM 877 C C . CYS A 1 55 ? 27.258 14.663 -8.899 1.00 16.68 ? ? ? ? ? ? 55 CYS A C 1 -ATOM 878 O O . CYS A 1 55 ? 27.484 13.831 -9.733 1.00 17.00 ? ? ? ? ? ? 55 CYS A O 1 -ATOM 879 C CB . CYS A 1 55 ? 28.265 13.520 -6.968 1.00 13.88 ? ? ? ? ? ? 55 CYS A CB 1 -ATOM 880 S SG . CYS A 1 55 ? 29.664 13.161 -5.893 1.00 13.03 ? ? ? ? ? ? 55 CYS A SG 1 -ATOM 881 D D . CYS A 1 55 ? 27.614 15.974 -6.323 1.00 14.99 ? ? ? ? ? ? 55 CYS A D 1 -ATOM 882 H HA . CYS A 1 55 ? 29.253 14.775 -8.417 1.00 14.34 ? ? ? ? ? ? 55 CYS A HA 1 -ATOM 883 H HB2 . CYS A 1 55 ? 27.388 13.519 -6.349 1.00 13.38 ? ? ? ? ? ? 55 CYS A HB2 1 -ATOM 884 H HB3 . CYS A 1 55 ? 28.059 12.720 -7.695 1.00 13.88 ? ? ? ? ? ? 55 CYS A HB3 1 -ATOM 885 N N . GLY A 1 56 ? 26.248 15.435 -8.766 1.00 22.23 ? ? ? ? ? ? 56 GLY A N 1 -ATOM 886 C CA . GLY A 1 56 ? 25.221 15.180 -9.791 1.00 26.06 ? ? ? ? ? ? 56 GLY A CA 1 -ATOM 887 C C . GLY A 1 56 ? 25.286 15.905 -11.139 1.00 29.57 ? ? ? ? ? ? 56 GLY A C 1 -ATOM 888 O O . GLY A 1 56 ? 26.220 16.540 -11.584 1.00 31.26 ? ? ? ? ? ? 56 GLY A O 1 -ATOM 889 D D . GLY A 1 56 ? 26.124 16.072 -8.024 1.00 18.76 ? ? ? ? ? ? 56 GLY A D 1 -ATOM 890 H HA2 . GLY A 1 56 ? 25.526 14.160 -10.093 1.00 25.90 ? ? ? ? ? ? 56 GLY A HA2 1 -ATOM 891 H HA3 . GLY A 1 56 ? 24.206 15.027 -9.457 1.00 26.16 ? ? ? ? ? ? 56 GLY A HA3 1 -ATOM 892 N N . GLY A 1 57 ? 24.141 15.735 -11.766 1.00 36.75 ? ? ? ? ? ? 57 GLY A N 1 -ATOM 893 C CA . GLY A 1 57 ? 23.532 16.179 -13.038 1.00 40.04 ? ? ? ? ? ? 57 GLY A CA 1 -ATOM 894 C C . GLY A 1 57 ? 21.982 15.948 -12.990 1.00 43.19 ? ? ? ? ? ? 57 GLY A C 1 -ATOM 895 O O . GLY A 1 57 ? 21.139 16.112 -12.036 1.00 44.36 ? ? ? ? ? ? 57 GLY A O 1 -ATOM 896 D D . GLY A 1 57 ? 23.416 15.164 -11.269 1.00 32.31 ? ? ? ? ? ? 57 GLY A D 1 -ATOM 897 H HA2 . GLY A 1 57 ? 23.651 17.180 -13.336 1.00 40.07 ? ? ? ? ? ? 57 GLY A HA2 1 -ATOM 898 H HA3 . GLY A 1 57 ? 23.890 15.539 -13.849 1.00 40.01 ? ? ? ? ? ? 57 GLY A HA3 1 -ATOM 899 N N . ALA A 1 58 ? 21.533 15.450 -14.175 1.00 46.32 ? ? ? ? ? ? 58 ALA A N 1 -ATOM 900 C CA . ALA A 1 58 ? 20.058 15.148 -14.143 1.00 46.11 ? ? ? ? ? ? 58 ALA A CA 1 -ATOM 901 C C . ALA A 1 58 ? 20.005 13.727 -14.727 1.00 47.14 ? ? ? ? ? ? 58 ALA A C 1 -ATOM 902 O O . ALA A 1 58 ? 20.352 13.531 -15.922 1.00 47.19 ? ? ? ? ? ? 58 ALA A O 1 -ATOM 903 C CB . ALA A 1 58 ? 19.337 16.385 -14.585 1.00 45.68 ? ? ? ? ? ? 58 ALA A CB 1 -ATOM 904 O OXT . ALA A 1 58 ? 19.665 12.821 -13.923 1.00 48.98 ? ? ? ? ? ? 58 ALA A OXT 1 -ATOM 905 D D . ALA A 1 58 ? 22.084 15.237 -14.992 1.00 44.06 ? ? ? ? ? ? 58 ALA A D 1 -ATOM 906 H HA . ALA A 1 58 ? 19.960 14.987 -13.050 1.00 46.35 ? ? ? ? ? ? 58 ALA A HA 1 -ATOM 907 H HB1 . ALA A 1 58 ? 19.978 17.245 -14.640 1.00 46.47 ? ? ? ? ? ? 58 ALA A HB1 1 -ATOM 908 H HB2 . ALA A 1 58 ? 18.939 16.200 -15.586 1.00 46.26 ? ? ? ? ? ? 58 ALA A HB2 1 -ATOM 909 H HB3 . ALA A 1 58 ? 18.454 16.576 -13.973 1.00 46.28 ? ? ? ? ? ? 58 ALA A HB3 1 -HETATM 910 P P . PO4 B 2 . ? 32.672 12.772 10.325 0.65 25.52 ? ? ? ? ? ? 70 PO4 A P 1 -HETATM 911 O O1 . PO4 B 2 . ? 33.530 14.005 10.556 0.65 26.69 ? ? ? ? ? ? 70 PO4 A O1 1 -HETATM 912 O O2 . PO4 B 2 . ? 31.499 12.810 11.272 0.65 25.31 ? ? ? ? ? ? 70 PO4 A O2 1 -HETATM 913 O O3 . PO4 B 2 . ? 32.136 12.729 8.909 0.65 24.51 ? ? ? ? ? ? 70 PO4 A O3 1 -HETATM 914 O O4 . PO4 B 2 . ? 33.561 11.570 10.555 0.65 23.64 ? ? ? ? ? ? 70 PO4 A O4 1 -HETATM 915 X UNK . UNX C 3 . ? 23.599 13.195 -7.043 1.00 45.42 ? ? ? ? ? ? 324 UNX A UNK 1 -HETATM 916 O O . DOD D 4 . ? 23.194 15.839 8.222 0.40 22.37 ? ? ? ? ? ? 80 DOD A O 1 -HETATM 917 D D1 . DOD D 4 . ? 23.286 16.842 8.165 0.40 22.61 ? ? ? ? ? ? 80 DOD A D1 1 -HETATM 918 D D2 . DOD D 4 . ? 24.153 15.561 8.326 0.40 22.60 ? ? ? ? ? ? 80 DOD A D2 1 -HETATM 919 O O . DOD D 4 . ? 22.510 21.082 -4.729 1.00 36.16 ? ? ? ? ? ? 101 DOD A O 1 -HETATM 920 D D1 . DOD D 4 . ? 21.831 21.235 -5.370 1.00 35.79 ? ? ? ? ? ? 101 DOD A D1 1 -HETATM 921 D D2 . DOD D 4 . ? 23.104 20.367 -4.949 1.00 35.47 ? ? ? ? ? ? 101 DOD A D2 1 -HETATM 922 O O . DOD D 4 . ? 32.400 2.989 17.428 0.80 18.44 ? ? ? ? ? ? 102 DOD A O 1 -HETATM 923 D D1 . DOD D 4 . ? 33.257 2.902 16.959 0.80 19.80 ? ? ? ? ? ? 102 DOD A D1 1 -HETATM 924 D D2 . DOD D 4 . ? 32.345 2.270 18.071 0.80 19.39 ? ? ? ? ? ? 102 DOD A D2 1 -HETATM 925 O O . DOD D 4 . ? 32.325 18.662 -7.849 1.00 32.19 ? ? ? ? ? ? 105 DOD A O 1 -HETATM 926 D D1 . DOD D 4 . ? 31.835 17.834 -8.008 1.00 30.47 ? ? ? ? ? ? 105 DOD A D1 1 -HETATM 927 D D2 . DOD D 4 . ? 31.833 19.268 -8.402 1.00 30.09 ? ? ? ? ? ? 105 DOD A D2 1 -HETATM 928 O O . DOD D 4 . ? 37.328 8.721 -0.765 0.85 24.80 ? ? ? ? ? ? 110 DOD A O 1 -HETATM 929 D D1 . DOD D 4 . ? 37.884 7.962 -0.994 0.85 28.72 ? ? ? ? ? ? 110 DOD A D1 1 -HETATM 930 D D2 . DOD D 4 . ? 36.474 8.348 -1.051 0.85 28.38 ? ? ? ? ? ? 110 DOD A D2 1 -HETATM 931 O O . DOD D 4 . ? 32.894 6.077 -0.473 1.00 17.11 ? ? ? ? ? ? 111 DOD A O 1 -HETATM 932 D D1 . DOD D 4 . ? 33.120 6.673 -1.189 1.00 17.18 ? ? ? ? ? ? 111 DOD A D1 1 -HETATM 933 D D2 . DOD D 4 . ? 32.082 5.642 -0.714 1.00 18.37 ? ? ? ? ? ? 111 DOD A D2 1 -HETATM 934 O O . DOD D 4 . ? 31.242 6.845 1.776 1.00 12.53 ? ? ? ? ? ? 112 DOD A O 1 -HETATM 935 D D1 . DOD D 4 . ? 31.797 6.338 1.211 1.00 12.31 ? ? ? ? ? ? 112 DOD A D1 1 -HETATM 936 D D2 . DOD D 4 . ? 30.886 7.631 1.374 1.00 11.82 ? ? ? ? ? ? 112 DOD A D2 1 -HETATM 937 O O . DOD D 4 . ? 32.081 7.266 4.248 1.00 10.62 ? ? ? ? ? ? 113 DOD A O 1 -HETATM 938 D D1 . DOD D 4 . ? 31.885 7.136 3.273 1.00 10.81 ? ? ? ? ? ? 113 DOD A D1 1 -HETATM 939 D D2 . DOD D 4 . ? 31.780 6.400 4.490 1.00 10.32 ? ? ? ? ? ? 113 DOD A D2 1 -HETATM 940 O O . DOD D 4 . ? 21.627 2.820 1.964 0.45 18.18 ? ? ? ? ? ? 116 DOD A O 1 -HETATM 941 D D1 . DOD D 4 . ? 22.311 2.168 1.795 0.45 15.16 ? ? ? ? ? ? 116 DOD A D1 1 -HETATM 942 D D2 . DOD D 4 . ? 21.898 3.682 1.661 0.45 13.72 ? ? ? ? ? ? 116 DOD A D2 1 -HETATM 943 O O . DOD D 4 . ? 23.450 1.914 4.826 0.85 21.21 ? ? ? ? ? ? 117 DOD A O 1 -HETATM 944 D D1 . DOD D 4 . ? 24.325 1.628 5.014 0.85 18.34 ? ? ? ? ? ? 117 DOD A D1 1 -HETATM 945 D D2 . DOD D 4 . ? 22.978 2.382 5.498 0.85 16.27 ? ? ? ? ? ? 117 DOD A D2 1 -HETATM 946 O O . DOD D 4 . ? 24.933 8.699 -12.566 1.00 26.51 ? ? ? ? ? ? 119 DOD A O 1 -HETATM 947 D D1 . DOD D 4 . ? 25.519 9.416 -12.334 1.00 24.40 ? ? ? ? ? ? 119 DOD A D1 1 -HETATM 948 D D2 . DOD D 4 . ? 25.041 7.808 -12.205 1.00 23.04 ? ? ? ? ? ? 119 DOD A D2 1 -HETATM 949 O O . DOD D 4 . ? 27.178 1.079 11.930 1.00 44.15 ? ? ? ? ? ? 121 DOD A O 1 -HETATM 950 D D1 . DOD D 4 . ? 27.529 1.514 12.731 1.00 41.94 ? ? ? ? ? ? 121 DOD A D1 1 -HETATM 951 D D2 . DOD D 4 . ? 27.890 1.374 11.346 1.00 42.42 ? ? ? ? ? ? 121 DOD A D2 1 -HETATM 952 O O . DOD D 4 . ? 32.824 4.006 10.705 1.00 11.08 ? ? ? ? ? ? 122 DOD A O 1 -HETATM 953 D D1 . DOD D 4 . ? 32.037 4.312 10.212 1.00 14.93 ? ? ? ? ? ? 122 DOD A D1 1 -HETATM 954 D D2 . DOD D 4 . ? 33.527 4.614 10.375 1.00 12.63 ? ? ? ? ? ? 122 DOD A D2 1 -HETATM 955 O O . DOD D 4 . ? 23.228 10.145 14.693 1.00 37.43 ? ? ? ? ? ? 125 DOD A O 1 -HETATM 956 D D1 . DOD D 4 . ? 23.474 11.090 14.612 1.00 38.73 ? ? ? ? ? ? 125 DOD A D1 1 -HETATM 957 D D2 . DOD D 4 . ? 23.557 9.618 15.413 1.00 38.14 ? ? ? ? ? ? 125 DOD A D2 1 -HETATM 958 O O . DOD D 4 . ? 21.709 13.163 -11.285 1.00 45.53 ? ? ? ? ? ? 126 DOD A O 1 -HETATM 959 D D1 . DOD D 4 . ? 21.371 12.655 -10.542 1.00 40.21 ? ? ? ? ? ? 126 DOD A D1 1 -HETATM 960 D D2 . DOD D 4 . ? 22.643 12.914 -11.319 1.00 40.01 ? ? ? ? ? ? 126 DOD A D2 1 -HETATM 961 O O . DOD D 4 . ? 25.304 13.841 10.064 1.00 31.39 ? ? ? ? ? ? 127 DOD A O 1 -HETATM 962 D D1 . DOD D 4 . ? 24.713 13.795 9.294 1.00 29.74 ? ? ? ? ? ? 127 DOD A D1 1 -HETATM 963 D D2 . DOD D 4 . ? 24.901 13.162 10.650 1.00 30.13 ? ? ? ? ? ? 127 DOD A D2 1 -HETATM 964 O O . DOD D 4 . ? 21.978 10.502 12.070 1.00 22.99 ? ? ? ? ? ? 129 DOD A O 1 -HETATM 965 D D1 . DOD D 4 . ? 21.026 10.401 12.238 1.00 21.72 ? ? ? ? ? ? 129 DOD A D1 1 -HETATM 966 D D2 . DOD D 4 . ? 22.220 11.424 12.257 1.00 22.25 ? ? ? ? ? ? 129 DOD A D2 1 -HETATM 967 O O . DOD D 4 . ? 37.476 9.724 11.502 0.75 22.01 ? ? ? ? ? ? 133 DOD A O 1 -HETATM 968 D D1 . DOD D 4 . ? 37.584 9.982 12.425 0.75 19.51 ? ? ? ? ? ? 133 DOD A D1 1 -HETATM 969 D D2 . DOD D 4 . ? 36.539 9.976 11.345 0.75 19.51 ? ? ? ? ? ? 133 DOD A D2 1 -HETATM 970 O O . DOD D 4 . ? 34.490 11.060 -13.079 0.70 44.32 ? ? ? ? ? ? 134 DOD A O 1 -HETATM 971 D D1 . DOD D 4 . ? 34.746 11.987 -12.978 0.70 42.77 ? ? ? ? ? ? 134 DOD A D1 1 -HETATM 972 D D2 . DOD D 4 . ? 33.653 10.980 -12.612 0.70 42.52 ? ? ? ? ? ? 134 DOD A D2 1 -HETATM 973 O O . DOD D 4 . ? 28.177 17.517 3.360 1.00 25.45 ? ? ? ? ? ? 138 DOD A O 1 -HETATM 974 D D1 . DOD D 4 . ? 27.742 18.283 3.058 1.00 23.32 ? ? ? ? ? ? 138 DOD A D1 1 -HETATM 975 D D2 . DOD D 4 . ? 29.101 17.401 3.251 1.00 23.72 ? ? ? ? ? ? 138 DOD A D2 1 -HETATM 976 O O . DOD D 4 . ? 30.541 15.267 12.774 1.00 36.43 ? ? ? ? ? ? 140 DOD A O 1 -HETATM 977 D D1 . DOD D 4 . ? 29.677 15.607 12.991 1.00 36.77 ? ? ? ? ? ? 140 DOD A D1 1 -HETATM 978 D D2 . DOD D 4 . ? 31.088 15.976 12.426 1.00 36.78 ? ? ? ? ? ? 140 DOD A D2 1 -HETATM 979 O O . DOD D 4 . ? 28.284 5.454 -6.397 1.00 27.22 ? ? ? ? ? ? 143 DOD A O 1 -HETATM 980 D D1 . DOD D 4 . ? 28.234 4.659 -5.833 1.00 32.37 ? ? ? ? ? ? 143 DOD A D1 1 -HETATM 981 D D2 . DOD D 4 . ? 27.991 6.122 -5.773 1.00 31.67 ? ? ? ? ? ? 143 DOD A D2 1 -HETATM 982 O O . DOD D 4 . ? 17.474 21.217 4.158 1.00 42.30 ? ? ? ? ? ? 144 DOD A O 1 -HETATM 983 D D1 . DOD D 4 . ? 18.268 20.904 3.726 1.00 40.47 ? ? ? ? ? ? 144 DOD A D1 1 -HETATM 984 D D2 . DOD D 4 . ? 16.993 21.816 3.609 1.00 40.56 ? ? ? ? ? ? 144 DOD A D2 1 -HETATM 985 O O . DOD D 4 . ? 38.592 14.977 -3.873 1.00 29.91 ? ? ? ? ? ? 145 DOD A O 1 -HETATM 986 D D1 . DOD D 4 . ? 37.993 15.743 -3.880 1.00 31.95 ? ? ? ? ? ? 145 DOD A D1 1 -HETATM 987 D D2 . DOD D 4 . ? 38.520 14.611 -4.764 1.00 33.00 ? ? ? ? ? ? 145 DOD A D2 1 -HETATM 988 O O . DOD D 4 . ? 39.369 6.894 -8.744 1.00 41.67 ? ? ? ? ? ? 146 DOD A O 1 -HETATM 989 D D1 . DOD D 4 . ? 39.454 6.652 -9.672 1.00 36.52 ? ? ? ? ? ? 146 DOD A D1 1 -HETATM 990 D D2 . DOD D 4 . ? 40.233 6.697 -8.383 1.00 37.22 ? ? ? ? ? ? 146 DOD A D2 1 -HETATM 991 O O . DOD D 4 . ? 30.562 -0.831 11.569 0.85 29.85 ? ? ? ? ? ? 156 DOD A O 1 -HETATM 992 D D1 . DOD D 4 . ? 30.253 0.047 11.849 0.85 31.06 ? ? ? ? ? ? 156 DOD A D1 1 -HETATM 993 D D2 . DOD D 4 . ? 30.819 -0.652 10.650 0.85 30.89 ? ? ? ? ? ? 156 DOD A D2 1 -HETATM 994 O O . DOD D 4 . ? 35.840 10.917 9.802 1.00 23.72 ? ? ? ? ? ? 157 DOD A O 1 -HETATM 995 D D1 . DOD D 4 . ? 35.118 11.562 9.768 1.00 25.45 ? ? ? ? ? ? 157 DOD A D1 1 -HETATM 996 D D2 . DOD D 4 . ? 36.435 11.166 9.095 1.00 25.05 ? ? ? ? ? ? 157 DOD A D2 1 -HETATM 997 O O . DOD D 4 . ? 32.417 -0.400 5.440 0.50 21.01 ? ? ? ? ? ? 158 DOD A O 1 -HETATM 998 D D1 . DOD D 4 . ? 33.309 -0.402 5.914 0.50 20.94 ? ? ? ? ? ? 158 DOD A D1 1 -HETATM 999 D D2 . DOD D 4 . ? 31.836 -0.783 6.158 0.50 20.72 ? ? ? ? ? ? 158 DOD A D2 1 -HETATM 1000 O O . DOD D 4 . ? 30.427 -0.255 3.808 0.50 26.42 ? ? ? ? ? ? 159 DOD A O 1 -HETATM 1001 D D1 . DOD D 4 . ? 30.982 -0.258 2.963 0.50 26.94 ? ? ? ? ? ? 159 DOD A D1 1 -HETATM 1002 D D2 . DOD D 4 . ? 31.146 -0.594 4.435 0.50 26.51 ? ? ? ? ? ? 159 DOD A D2 1 -HETATM 1003 O O . DOD D 4 . ? 36.062 5.979 -8.634 1.00 41.31 ? ? ? ? ? ? 160 DOD A O 1 -HETATM 1004 D D1 . DOD D 4 . ? 35.305 6.506 -8.327 1.00 40.68 ? ? ? ? ? ? 160 DOD A D1 1 -HETATM 1005 D D2 . DOD D 4 . ? 36.596 5.892 -7.843 1.00 40.44 ? ? ? ? ? ? 160 DOD A D2 1 -HETATM 1006 O O . DOD D 4 . ? 19.702 17.251 3.159 1.00 19.29 ? ? ? ? ? ? 200 DOD A O 1 -HETATM 1007 D D1 . DOD D 4 . ? 18.842 16.821 3.395 1.00 20.94 ? ? ? ? ? ? 200 DOD A D1 1 -HETATM 1008 D D2 . DOD D 4 . ? 20.251 16.690 3.724 1.00 21.48 ? ? ? ? ? ? 200 DOD A D2 1 -HETATM 1009 O O . DOD D 4 . ? 38.290 5.419 5.139 0.45 14.23 ? ? ? ? ? ? 201 DOD A O 1 -HETATM 1010 D D1 . DOD D 4 . ? 38.695 6.270 5.301 0.45 11.92 ? ? ? ? ? ? 201 DOD A D1 1 -HETATM 1011 D D2 . DOD D 4 . ? 38.934 4.728 5.353 0.45 12.39 ? ? ? ? ? ? 201 DOD A D2 1 -HETATM 1012 O O . DOD D 4 . ? 20.841 18.058 5.892 1.00 42.73 ? ? ? ? ? ? 202 DOD A O 1 -HETATM 1013 D D1 . DOD D 4 . ? 20.670 18.727 5.224 1.00 41.57 ? ? ? ? ? ? 202 DOD A D1 1 -HETATM 1014 D D2 . DOD D 4 . ? 20.910 17.173 5.525 1.00 41.34 ? ? ? ? ? ? 202 DOD A D2 1 -HETATM 1015 O O . DOD D 4 . ? 35.858 -1.262 7.228 1.00 26.79 ? ? ? ? ? ? 203 DOD A O 1 -HETATM 1016 D D1 . DOD D 4 . ? 36.279 -0.389 7.191 1.00 24.31 ? ? ? ? ? ? 203 DOD A D1 1 -HETATM 1017 D D2 . DOD D 4 . ? 36.182 -1.468 8.110 1.00 25.43 ? ? ? ? ? ? 203 DOD A D2 1 -HETATM 1018 O O . DOD D 4 . ? 39.380 8.361 4.115 0.70 28.37 ? ? ? ? ? ? 204 DOD A O 1 -HETATM 1019 D D1 . DOD D 4 . ? 39.408 7.760 3.358 0.70 29.87 ? ? ? ? ? ? 204 DOD A D1 1 -HETATM 1020 D D2 . DOD D 4 . ? 38.462 8.655 4.217 0.70 30.08 ? ? ? ? ? ? 204 DOD A D2 1 -HETATM 1021 O O . DOD D 4 . ? 19.638 4.554 4.804 1.00 41.42 ? ? ? ? ? ? 205 DOD A O 1 -HETATM 1022 D D1 . DOD D 4 . ? 18.798 4.746 4.362 1.00 41.56 ? ? ? ? ? ? 205 DOD A D1 1 -HETATM 1023 D D2 . DOD D 4 . ? 19.565 3.636 5.102 1.00 41.35 ? ? ? ? ? ? 205 DOD A D2 1 -HETATM 1024 O O . DOD D 4 . ? 27.016 14.177 11.548 0.55 23.66 ? ? ? ? ? ? 209 DOD A O 1 -HETATM 1025 D D1 . DOD D 4 . ? 26.247 13.668 11.322 0.55 23.22 ? ? ? ? ? ? 209 DOD A D1 1 -HETATM 1026 D D2 . DOD D 4 . ? 27.150 14.829 10.861 0.55 23.19 ? ? ? ? ? ? 209 DOD A D2 1 -HETATM 1027 O O . DOD D 4 . ? 32.524 1.944 -8.668 0.55 28.00 ? ? ? ? ? ? 210 DOD A O 1 -HETATM 1028 D D1 . DOD D 4 . ? 32.097 1.168 -8.326 0.55 24.83 ? ? ? ? ? ? 210 DOD A D1 1 -HETATM 1029 D D2 . DOD D 4 . ? 33.318 2.192 -8.183 0.55 24.43 ? ? ? ? ? ? 210 DOD A D2 1 -HETATM 1030 O O . DOD D 4 . ? 30.420 20.407 -9.327 1.00 50.37 ? ? ? ? ? ? 211 DOD A O 1 -HETATM 1031 D D1 . DOD D 4 . ? 30.380 19.438 -9.416 1.00 50.49 ? ? ? ? ? ? 211 DOD A D1 1 -HETATM 1032 D D2 . DOD D 4 . ? 29.504 20.587 -9.585 1.00 50.62 ? ? ? ? ? ? 211 DOD A D2 1 -HETATM 1033 O O . DOD D 4 . ? 38.417 11.372 -7.271 1.00 37.18 ? ? ? ? ? ? 212 DOD A O 1 -HETATM 1034 D D1 . DOD D 4 . ? 38.648 12.325 -7.203 1.00 35.24 ? ? ? ? ? ? 212 DOD A D1 1 -HETATM 1035 D D2 . DOD D 4 . ? 39.030 10.978 -6.635 1.00 35.81 ? ? ? ? ? ? 212 DOD A D2 1 -HETATM 1036 O O . DOD D 4 . ? 15.928 7.068 -4.160 0.80 33.49 ? ? ? ? ? ? 214 DOD A O 1 -HETATM 1037 D D1 . DOD D 4 . ? 15.833 6.849 -5.089 0.80 30.73 ? ? ? ? ? ? 214 DOD A D1 1 -HETATM 1038 D D2 . DOD D 4 . ? 15.838 7.998 -3.965 0.80 30.42 ? ? ? ? ? ? 214 DOD A D2 1 -HETATM 1039 O O . DOD D 4 . ? 20.369 6.458 13.462 0.75 29.01 ? ? ? ? ? ? 216 DOD A O 1 -HETATM 1040 D D1 . DOD D 4 . ? 20.426 6.571 14.416 0.75 29.73 ? ? ? ? ? ? 216 DOD A D1 1 -HETATM 1041 D D2 . DOD D 4 . ? 21.310 6.715 13.308 0.75 30.07 ? ? ? ? ? ? 216 DOD A D2 1 -HETATM 1042 O O . DOD D 4 . ? 20.372 9.135 14.450 1.00 45.82 ? ? ? ? ? ? 217 DOD A O 1 -HETATM 1043 D D1 . DOD D 4 . ? 20.014 9.262 13.565 1.00 47.54 ? ? ? ? ? ? 217 DOD A D1 1 -HETATM 1044 D D2 . DOD D 4 . ? 20.713 8.233 14.501 1.00 46.99 ? ? ? ? ? ? 217 DOD A D2 1 -HETATM 1045 O O . DOD D 4 . ? 34.848 -2.506 13.144 0.60 23.45 ? ? ? ? ? ? 218 DOD A O 1 -HETATM 1046 D D1 . DOD D 4 . ? 35.761 -2.257 13.315 0.60 24.59 ? ? ? ? ? ? 218 DOD A D1 1 -HETATM 1047 D D2 . DOD D 4 . ? 34.364 -1.952 13.777 0.60 23.86 ? ? ? ? ? ? 218 DOD A D2 1 -HETATM 1048 O O . DOD D 4 . ? 18.689 3.099 -6.988 0.65 32.86 ? ? ? ? ? ? 219 DOD A O 1 -HETATM 1049 D D1 . DOD D 4 . ? 18.183 2.627 -6.333 0.65 31.27 ? ? ? ? ? ? 219 DOD A D1 1 -HETATM 1050 D D2 . DOD D 4 . ? 19.292 2.483 -7.421 0.65 31.44 ? ? ? ? ? ? 219 DOD A D2 1 -HETATM 1051 O O . DOD D 4 . ? 34.306 13.635 6.574 0.70 44.72 ? ? ? ? ? ? 220 DOD A O 1 -HETATM 1052 D D1 . DOD D 4 . ? 34.435 13.156 7.403 0.70 43.71 ? ? ? ? ? ? 220 DOD A D1 1 -HETATM 1053 D D2 . DOD D 4 . ? 33.907 14.473 6.837 0.70 43.25 ? ? ? ? ? ? 220 DOD A D2 1 -HETATM 1054 O O . DOD D 4 . ? 39.704 6.653 -0.920 0.70 27.12 ? ? ? ? ? ? 223 DOD A O 1 -HETATM 1055 D D1 . DOD D 4 . ? 39.839 5.695 -0.886 0.70 27.44 ? ? ? ? ? ? 223 DOD A D1 1 -HETATM 1056 D D2 . DOD D 4 . ? 40.073 6.944 -0.069 0.70 26.30 ? ? ? ? ? ? 223 DOD A D2 1 -HETATM 1057 O O . DOD D 4 . ? 35.835 1.799 -4.168 0.70 22.62 ? ? ? ? ? ? 225 DOD A O 1 -HETATM 1058 D D1 . DOD D 4 . ? 35.195 1.203 -4.651 0.70 21.80 ? ? ? ? ? ? 225 DOD A D1 1 -HETATM 1059 D D2 . DOD D 4 . ? 35.838 1.670 -3.184 0.70 22.59 ? ? ? ? ? ? 225 DOD A D2 1 -HETATM 1060 O O . DOD D 4 . ? 23.473 14.023 7.697 0.50 17.94 ? ? ? ? ? ? 302 DOD A O 1 -HETATM 1061 D D1 . DOD D 4 . ? 23.104 13.994 6.796 0.50 18.22 ? ? ? ? ? ? 302 DOD A D1 1 -HETATM 1062 D D2 . DOD D 4 . ? 23.692 13.105 7.863 0.50 18.44 ? ? ? ? ? ? 302 DOD A D2 1 -HETATM 1063 O O . DOD D 4 . ? 17.425 18.515 0.940 0.60 20.11 ? ? ? ? ? ? 304 DOD A O 1 -HETATM 1064 D D1 . DOD D 4 . ? 16.690 18.065 1.361 0.60 20.79 ? ? ? ? ? ? 304 DOD A D1 1 -HETATM 1065 D D2 . DOD D 4 . ? 18.107 18.630 1.602 0.60 21.21 ? ? ? ? ? ? 304 DOD A D2 1 -HETATM 1066 O O . DOD D 4 . ? 30.817 21.189 -4.297 0.75 33.44 ? ? ? ? ? ? 310 DOD A O 1 -HETATM 1067 D D1 . DOD D 4 . ? 31.670 21.225 -4.770 0.75 33.45 ? ? ? ? ? ? 310 DOD A D1 1 -HETATM 1068 D D2 . DOD D 4 . ? 30.745 20.286 -3.971 0.75 33.90 ? ? ? ? ? ? 310 DOD A D2 1 -HETATM 1069 O O . DOD D 4 . ? 29.101 21.433 -2.694 0.75 39.78 ? ? ? ? ? ? 311 DOD A O 1 -HETATM 1070 D D1 . DOD D 4 . ? 28.810 20.773 -3.335 0.75 40.82 ? ? ? ? ? ? 311 DOD A D1 1 -HETATM 1071 D D2 . DOD D 4 . ? 29.404 20.908 -1.940 0.75 41.00 ? ? ? ? ? ? 311 DOD A D2 1 -HETATM 1072 O O . DOD D 4 . ? 34.385 2.967 -0.675 0.75 49.17 ? ? ? ? ? ? 312 DOD A O 1 -HETATM 1073 D D1 . DOD D 4 . ? 33.896 2.264 -0.231 0.75 49.99 ? ? ? ? ? ? 312 DOD A D1 1 -HETATM 1074 D D2 . DOD D 4 . ? 35.282 2.635 -0.820 0.75 50.11 ? ? ? ? ? ? 312 DOD A D2 1 -HETATM 1075 O O . DOD D 4 . ? 22.760 12.894 9.757 0.75 34.76 ? ? ? ? ? ? 313 DOD A O 1 -HETATM 1076 D D1 . DOD D 4 . ? 23.725 12.886 9.820 0.75 32.32 ? ? ? ? ? ? 313 DOD A D1 1 -HETATM 1077 D D2 . DOD D 4 . ? 22.695 12.328 8.975 0.75 32.33 ? ? ? ? ? ? 313 DOD A D2 1 -HETATM 1078 O O . DOD D 4 . ? 29.184 16.951 -10.815 1.00 50.56 ? ? ? ? ? ? 314 DOD A O 1 -HETATM 1079 D D1 . DOD D 4 . ? 28.486 16.392 -11.157 1.00 49.79 ? ? ? ? ? ? 314 DOD A D1 1 -HETATM 1080 D D2 . DOD D 4 . ? 29.843 17.006 -11.516 1.00 50.11 ? ? ? ? ? ? 314 DOD A D2 1 -HETATM 1081 O O . DOD D 4 . ? 37.208 17.290 -2.722 0.75 35.00 ? ? ? ? ? ? 315 DOD A O 1 -HETATM 1082 D D1 . DOD D 4 . ? 36.748 17.851 -2.066 0.75 33.32 ? ? ? ? ? ? 315 DOD A D1 1 -HETATM 1083 D D2 . DOD D 4 . ? 37.034 16.398 -2.381 0.75 33.28 ? ? ? ? ? ? 315 DOD A D2 1 -HETATM 1084 O O . DOD D 4 . ? 39.924 5.096 15.153 0.75 91.84 ? ? ? ? ? ? 316 DOD A O 1 -HETATM 1085 D D1 . DOD D 4 . ? 40.240 5.673 15.857 0.75 91.50 ? ? ? ? ? ? 316 DOD A D1 1 -HETATM 1086 D D2 . DOD D 4 . ? 39.075 4.751 15.456 0.75 91.50 ? ? ? ? ? ? 316 DOD A D2 1 -HETATM 1087 O O . DOD D 4 . ? 24.792 1.584 -6.585 1.00 53.91 ? ? ? ? ? ? 317 DOD A O 1 -HETATM 1088 D D1 . DOD D 4 . ? 24.014 2.025 -6.941 1.00 52.72 ? ? ? ? ? ? 317 DOD A D1 1 -HETATM 1089 D D2 . DOD D 4 . ? 25.404 2.307 -6.419 1.00 53.49 ? ? ? ? ? ? 317 DOD A D2 1 -HETATM 1090 O O . DOD D 4 . ? 29.052 21.202 9.370 0.75 46.66 ? ? ? ? ? ? 318 DOD A O 1 -HETATM 1091 D D1 . DOD D 4 . ? 28.463 20.601 9.828 0.75 44.03 ? ? ? ? ? ? 318 DOD A D1 1 -HETATM 1092 D D2 . DOD D 4 . ? 29.833 20.748 9.033 0.75 44.42 ? ? ? ? ? ? 318 DOD A D2 1 -HETATM 1093 O O . DOD D 4 . ? 31.855 0.163 0.605 0.75 42.28 ? ? ? ? ? ? 319 DOD A O 1 -HETATM 1094 D D1 . DOD D 4 . ? 30.944 -0.153 0.702 0.75 40.63 ? ? ? ? ? ? 319 DOD A D1 1 -HETATM 1095 D D2 . DOD D 4 . ? 31.809 1.074 0.885 0.75 40.72 ? ? ? ? ? ? 319 DOD A D2 1 -HETATM 1096 O O . DOD D 4 . ? 17.490 9.671 -3.504 0.75 50.06 ? ? ? ? ? ? 320 DOD A O 1 -HETATM 1097 D D1 . DOD D 4 . ? 17.844 10.566 -3.494 0.75 49.93 ? ? ? ? ? ? 320 DOD A D1 1 -HETATM 1098 D D2 . DOD D 4 . ? 16.796 9.717 -2.837 0.75 50.26 ? ? ? ? ? ? 320 DOD A D2 1 -HETATM 1099 O O . DOD D 4 . ? 23.571 -0.806 13.870 0.50 28.53 ? ? ? ? ? ? 321 DOD A O 1 -HETATM 1100 D D1 . DOD D 4 . ? 24.067 -1.107 14.640 0.50 28.83 ? ? ? ? ? ? 321 DOD A D1 1 -HETATM 1101 D D2 . DOD D 4 . ? 23.508 -1.626 13.366 0.50 27.58 ? ? ? ? ? ? 321 DOD A D2 1 -HETATM 1102 O O . DOD D 4 . ? 30.284 21.588 -6.518 0.75 52.32 ? ? ? ? ? ? 322 DOD A O 1 -HETATM 1103 D D1 . DOD D 4 . ? 30.165 22.574 -6.795 0.75 50.92 ? ? ? ? ? ? 322 DOD A D1 1 -HETATM 1104 D D2 . DOD D 4 . ? 29.362 21.275 -6.636 0.75 50.63 ? ? ? ? ? ? 322 DOD A D2 1 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 ARG 1 1 1 ARG ARG A . n -A 1 2 PRO 2 2 2 PRO PRO A . n -A 1 3 ASP 3 3 3 ASP ASP A . n -A 1 4 PHE 4 4 4 PHE PHE A . n -A 1 5 CYS 5 5 5 CYS CYS A . n -A 1 6 LEU 6 6 6 LEU LEU A . n -A 1 7 GLU 7 7 7 GLU GLU A . n -A 1 8 PRO 8 8 8 PRO PRO A . n -A 1 9 PRO 9 9 9 PRO PRO A . n -A 1 10 TYR 10 10 10 TYR TYR A . n -A 1 11 THR 11 11 11 THR THR A . n -A 1 12 GLY 12 12 12 GLY GLY A . n -A 1 13 PRO 13 13 13 PRO PRO A . n -A 1 14 CYS 14 14 14 CYS CYS A . n -A 1 15 LYS 15 15 15 LYS LYS A . n -A 1 16 ALA 16 16 16 ALA ALA A . n -A 1 17 ARG 17 17 17 ARG ARG A . n -A 1 18 ILE 18 18 18 ILE ILE A . n -A 1 19 ILE 19 19 19 ILE ILE A . n -A 1 20 ARG 20 20 20 ARG ARG A . n -A 1 21 TYR 21 21 21 TYR TYR A . n -A 1 22 PHE 22 22 22 PHE PHE A . n -A 1 23 TYR 23 23 23 TYR TYR A . n -A 1 24 ASN 24 24 24 ASN ASN A . n -A 1 25 ALA 25 25 25 ALA ALA A . n -A 1 26 LYS 26 26 26 LYS LYS A . n -A 1 27 ALA 27 27 27 ALA ALA A . n -A 1 28 GLY 28 28 28 GLY GLY A . n -A 1 29 LEU 29 29 29 LEU LEU A . n -A 1 30 CYS 30 30 30 CYS CYS A . n -A 1 31 GLN 31 31 31 GLN GLN A . n -A 1 32 THR 32 32 32 THR THR A . n -A 1 33 PHE 33 33 33 PHE PHE A . n -A 1 34 VAL 34 34 34 VAL VAL A . n -A 1 35 TYR 35 35 35 TYR TYR A . n -A 1 36 GLY 36 36 36 GLY GLY A . n -A 1 37 GLY 37 37 37 GLY GLY A . n -A 1 38 CYS 38 38 38 CYS CYS A . n -A 1 39 ARG 39 39 39 ARG ARG A . n -A 1 40 ALA 40 40 40 ALA ALA A . n -A 1 41 LYS 41 41 41 LYS LYS A . n -A 1 42 ARG 42 42 42 ARG ARG A . n -A 1 43 ASN 43 43 43 ASN ASN A . n -A 1 44 ASN 44 44 44 ASN ASN A . n -A 1 45 PHE 45 45 45 PHE PHE A . n -A 1 46 LYS 46 46 46 LYS LYS A . n -A 1 47 SER 47 47 47 SER SER A . n -A 1 48 ALA 48 48 48 ALA ALA A . n -A 1 49 GLU 49 49 49 GLU GLU A . n -A 1 50 ASP 50 50 50 ASP ASP A . n -A 1 51 CYS 51 51 51 CYS CYS A . n -A 1 52 MET 52 52 52 MET MET A . n -A 1 53 ARG 53 53 53 ARG ARG A . n -A 1 54 THR 54 54 54 THR THR A . n -A 1 55 CYS 55 55 55 CYS CYS A . n -A 1 56 GLY 56 56 56 GLY GLY A . n -A 1 57 GLY 57 57 57 GLY GLY A . n -A 1 58 ALA 58 58 58 ALA ALA A . n -# -loop_ -_pdbx_version.entry_id -_pdbx_version.revision_date -_pdbx_version.major_version -_pdbx_version.minor_version -_pdbx_version.details -5PTI 2007-03-18 3 100 ? -5PTI 2008-03-27 3 2 'compliance with PDB format V.3.15' -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_and_software_defined_assembly -_pdbx_struct_assembly.method_details PISA -_pdbx_struct_assembly.oligomeric_details monomeric -_pdbx_struct_assembly.oligomeric_count 1 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B,C,D -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 -_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 -_pdbx_struct_oper_list.vector[1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 -_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 -_pdbx_struct_oper_list.vector[2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 -_pdbx_struct_oper_list.vector[3] 0.0000000000 -# -_pdbx_entry_details.entry_id 5PTI -_pdbx_entry_details.compound_details ? -_pdbx_entry_details.source_details ? -_pdbx_entry_details.nonpolymer_details 'HETATM UNX 324 IS PROBABLY A POTASSIUM ION IN A PARTIALLY OCCUPIED SITE.' -_pdbx_entry_details.sequence_details ? -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -B 2 PO4 1 70 70 PO4 PO4 A . -C 3 UNX 1 324 324 UNX UNK A . -D 4 DOD 1 80 80 DOD DOD A . -D 4 DOD 2 101 101 DOD DOD A . -D 4 DOD 3 102 102 DOD DOD A . -D 4 DOD 4 105 105 DOD DOD A . -D 4 DOD 5 110 110 DOD DOD A . -D 4 DOD 6 111 111 DOD DOD A . -D 4 DOD 7 112 112 DOD DOD A . -D 4 DOD 8 113 113 DOD DOD A . -D 4 DOD 9 116 116 DOD DOD A . -D 4 DOD 10 117 117 DOD DOD A . -D 4 DOD 11 119 119 DOD DOD A . -D 4 DOD 12 121 121 DOD DOD A . -D 4 DOD 13 122 122 DOD DOD A . -D 4 DOD 14 125 125 DOD DOD A . -D 4 DOD 15 126 126 DOD DOD A . -D 4 DOD 16 127 127 DOD DOD A . -D 4 DOD 17 129 129 DOD DOD A . -D 4 DOD 18 133 133 DOD DOD A . -D 4 DOD 19 134 134 DOD DOD A . -D 4 DOD 20 138 138 DOD DOD A . -D 4 DOD 21 140 140 DOD DOD A . -D 4 DOD 22 143 143 DOD DOD A . -D 4 DOD 23 144 144 DOD DOD A . -D 4 DOD 24 145 145 DOD DOD A . -D 4 DOD 25 146 146 DOD DOD A . -D 4 DOD 26 156 156 DOD DOD A . -D 4 DOD 27 157 157 DOD DOD A . -D 4 DOD 28 158 158 DOD DOD A . -D 4 DOD 29 159 159 DOD DOD A . -D 4 DOD 30 160 160 DOD DOD A . -D 4 DOD 31 200 200 DOD DOD A . -D 4 DOD 32 201 201 DOD DOD A . -D 4 DOD 33 202 202 DOD DOD A . -D 4 DOD 34 203 203 DOD DOD A . -D 4 DOD 35 204 204 DOD DOD A . -D 4 DOD 36 205 205 DOD DOD A . -D 4 DOD 37 209 209 DOD DOD A . -D 4 DOD 38 210 210 DOD DOD A . -D 4 DOD 39 211 211 DOD DOD A . -D 4 DOD 40 212 212 DOD DOD A . -D 4 DOD 41 214 214 DOD DOD A . -D 4 DOD 42 216 216 DOD DOD A . -D 4 DOD 43 217 217 DOD DOD A . -D 4 DOD 44 218 218 DOD DOD A . -D 4 DOD 45 219 219 DOD DOD A . -D 4 DOD 46 220 220 DOD DOD A . -D 4 DOD 47 223 223 DOD DOD A . -D 4 DOD 48 225 225 DOD DOD A . -D 4 DOD 49 302 302 DOD DOD A . -D 4 DOD 50 304 304 DOD DOD A . -D 4 DOD 51 310 310 DOD DOD A . -D 4 DOD 52 311 311 DOD DOD A . -D 4 DOD 53 312 312 DOD DOD A . -D 4 DOD 54 313 313 DOD DOD A . -D 4 DOD 55 314 314 DOD DOD A . -D 4 DOD 56 315 315 DOD DOD A . -D 4 DOD 57 316 316 DOD DOD A . -D 4 DOD 58 317 317 DOD DOD A . -D 4 DOD 59 318 318 DOD DOD A . -D 4 DOD 60 319 319 DOD DOD A . -D 4 DOD 61 320 320 DOD DOD A . -D 4 DOD 62 321 321 DOD DOD A . -D 4 DOD 63 322 322 DOD DOD A . -# -_pdbx_validate_close_contact.id 1 -_pdbx_validate_close_contact.PDB_model_num 1 -_pdbx_validate_close_contact.auth_atom_id_1 OE1 -_pdbx_validate_close_contact.auth_asym_id_1 A -_pdbx_validate_close_contact.auth_comp_id_1 GLU -_pdbx_validate_close_contact.auth_seq_id_1 49 -_pdbx_validate_close_contact.PDB_ins_code_1 ? -_pdbx_validate_close_contact.label_alt_id_1 ? -_pdbx_validate_close_contact.auth_atom_id_2 O -_pdbx_validate_close_contact.auth_asym_id_2 A -_pdbx_validate_close_contact.auth_comp_id_2 DOD -_pdbx_validate_close_contact.auth_seq_id_2 304 -_pdbx_validate_close_contact.PDB_ins_code_2 ? -_pdbx_validate_close_contact.label_alt_id_2 ? -_pdbx_validate_close_contact.dist 2.03 -# -_pdbx_validate_symm_contact.id 1 -_pdbx_validate_symm_contact.PDB_model_num 1 -_pdbx_validate_symm_contact.auth_atom_id_1 O -_pdbx_validate_symm_contact.auth_asym_id_1 A -_pdbx_validate_symm_contact.auth_comp_id_1 ALA -_pdbx_validate_symm_contact.auth_seq_id_1 58 -_pdbx_validate_symm_contact.PDB_ins_code_1 ? -_pdbx_validate_symm_contact.label_alt_id_1 ? -_pdbx_validate_symm_contact.site_symmetry_1 1_555 -_pdbx_validate_symm_contact.auth_atom_id_2 O -_pdbx_validate_symm_contact.auth_asym_id_2 A -_pdbx_validate_symm_contact.auth_comp_id_2 DOD -_pdbx_validate_symm_contact.auth_seq_id_2 320 -_pdbx_validate_symm_contact.PDB_ins_code_2 ? -_pdbx_validate_symm_contact.label_alt_id_2 ? -_pdbx_validate_symm_contact.site_symmetry_2 2_564 -_pdbx_validate_symm_contact.dist 2.19 -# -loop_ -_pdbx_validate_rmsd_angle.id -_pdbx_validate_rmsd_angle.PDB_model_num -_pdbx_validate_rmsd_angle.auth_atom_id_1 -_pdbx_validate_rmsd_angle.auth_asym_id_1 -_pdbx_validate_rmsd_angle.auth_comp_id_1 -_pdbx_validate_rmsd_angle.auth_seq_id_1 -_pdbx_validate_rmsd_angle.PDB_ins_code_1 -_pdbx_validate_rmsd_angle.label_alt_id_1 -_pdbx_validate_rmsd_angle.auth_atom_id_2 -_pdbx_validate_rmsd_angle.auth_asym_id_2 -_pdbx_validate_rmsd_angle.auth_comp_id_2 -_pdbx_validate_rmsd_angle.auth_seq_id_2 -_pdbx_validate_rmsd_angle.PDB_ins_code_2 -_pdbx_validate_rmsd_angle.label_alt_id_2 -_pdbx_validate_rmsd_angle.auth_atom_id_3 -_pdbx_validate_rmsd_angle.auth_asym_id_3 -_pdbx_validate_rmsd_angle.auth_comp_id_3 -_pdbx_validate_rmsd_angle.auth_seq_id_3 -_pdbx_validate_rmsd_angle.PDB_ins_code_3 -_pdbx_validate_rmsd_angle.label_alt_id_3 -_pdbx_validate_rmsd_angle.angle_deviation -1 1 CB A ASP 3 ? ? CA A ASP 3 ? ? C A ASP 3 ? ? 16.9 -2 1 OD1 A ASP 3 ? ? CG A ASP 3 ? ? OD2 A ASP 3 ? ? -11.7 -3 1 CB A ASP 3 ? ? CG A ASP 3 ? ? OD2 A ASP 3 ? ? 10.4 -4 1 OE1 A GLU 7 ? A CD A GLU 7 ? A OE2 A GLU 7 ? A 8.2 -5 1 OE1 A GLU 7 ? B CD A GLU 7 ? B OE2 A GLU 7 ? B -33.0 -6 1 CB A TYR 10 ? ? CG A TYR 10 ? ? CD1 A TYR 10 ? ? -3.8 -7 1 CB A CYS 14 ? ? CA A CYS 14 ? ? C A CYS 14 ? ? 7.4 -8 1 CD A ARG 17 ? ? NE A ARG 17 ? ? CZ A ARG 17 ? ? 29.6 -9 1 NE A ARG 17 ? ? CZ A ARG 17 ? ? NH1 A ARG 17 ? ? 3.3 -10 1 CZ A TYR 23 ? ? CE2 A TYR 23 ? ? CD2 A TYR 23 ? ? -5.5 -11 1 CB A PHE 45 ? ? CG A PHE 45 ? ? CD2 A PHE 45 ? ? -4.4 -12 1 CB A GLU 49 ? ? CG A GLU 49 ? ? CD A GLU 49 ? ? 16.5 -13 1 OE1 A GLU 49 ? ? CD A GLU 49 ? ? OE2 A GLU 49 ? ? -28.5 -14 1 CG A GLU 49 ? ? CD A GLU 49 ? ? OE1 A GLU 49 ? ? 20.9 -15 1 CB A ASP 50 ? ? CA A ASP 50 ? ? C A ASP 50 ? ? -15.5 -16 1 OD1 A ASP 50 ? ? CG A ASP 50 ? ? OD2 A ASP 50 ? ? 21.9 -17 1 CB A ASP 50 ? ? CG A ASP 50 ? ? OD1 A ASP 50 ? ? -10.5 -18 1 CB A ASP 50 ? ? CG A ASP 50 ? ? OD2 A ASP 50 ? ? -11.3 -19 1 C A GLY 56 ? ? N A GLY 57 ? ? CA A GLY 57 ? ? 14.5 -20 1 CB A ALA 58 ? ? CA A ALA 58 ? ? C A ALA 58 ? ? 19.3 -# -_pdbx_validate_chiral.id 1 -_pdbx_validate_chiral.PDB_model_num 1 -_pdbx_validate_chiral.auth_comp_id GLU -_pdbx_validate_chiral.auth_asym_id A -_pdbx_validate_chiral.auth_seq_id 7 -_pdbx_validate_chiral.PDB_ins_code ? -_pdbx_validate_chiral.details 'Expecting L Found L OUTSIDE RANGE' -_pdbx_validate_chiral.omega 23.039 -# -loop_ -_pdbx_entity_nonpoly.entity_id -_pdbx_entity_nonpoly.name -_pdbx_entity_nonpoly.comp_id -2 'PHOSPHATE ION' PO4 -3 'UNKNOWN ATOM OR ION' UNX -4 water DOD -# diff --git a/biojava-structure/src/test/resources/5pti.pdb b/biojava-structure/src/test/resources/5pti.pdb deleted file mode 100644 index 0b5a7def17..0000000000 --- a/biojava-structure/src/test/resources/5pti.pdb +++ /dev/null @@ -1,1486 +0,0 @@ -HEADER PROTEINASE INHIBITOR (TRYPSIN) 05-OCT-84 5PTI -TITLE STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS -TITLE 2 OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: TRYPSIN INHIBITOR; -COMPND 3 CHAIN: A; -COMPND 4 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; -SOURCE 3 ORGANISM_COMMON: CATTLE; -SOURCE 4 ORGANISM_TAXID: 9913 -KEYWDS PROTEINASE INHIBITOR (TRYPSIN) -EXPDTA X-RAY DIFFRACTION; NEUTRON DIFFRACTION -AUTHOR A.WLODAWER,R.HUBER -REVDAT 6 24-FEB-09 5PTI 1 VERSN -REVDAT 5 15-JAN-90 5PTI 1 JRNL -REVDAT 4 16-OCT-87 5PTI 1 HELIX -REVDAT 3 16-APR-87 5PTI 1 REMARK -REVDAT 2 04-MAR-85 5PTI 1 JRNL -REVDAT 1 29-OCT-84 5PTI 0 -JRNL AUTH A.WLODAWER,J.WALTER,R.HUBER,L.SJOLIN -JRNL TITL STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. -JRNL TITL 2 RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF -JRNL TITL 3 CRYSTAL FORM II -JRNL REF J.MOL.BIOL. V. 180 301 1984 -JRNL REFN ISSN 0022-2836 -JRNL PMID 6210373 -JRNL DOI 10.1016/S0022-2836(84)80006-6 -REMARK 1 -REMARK 1 REFERENCE 1 -REMARK 1 AUTH A.WLODAWER,J.DEISENHOFER,R.HUBER -REMARK 1 TITL COMPARISON OF TWO HIGHLY REFINED STRUCTURES OF -REMARK 1 TITL 2 BOVINE PANCREATIC TRYPSIN INHIBITOR -REMARK 1 REF J.MOL.BIOL. V. 193 145 1987 -REMARK 1 REFN ISSN 0022-2836 -REMARK 1 REFERENCE 2 -REMARK 1 AUTH J.WALTER,R.HUBER -REMARK 1 TITL PANCREATIC TRYPSIN INHIBITOR. A NEW CRYSTAL FORM -REMARK 1 TITL 2 AND ITS ANALYSIS -REMARK 1 REF J.MOL.BIOL. V. 167 911 1983 -REMARK 1 REFN ISSN 0022-2836 -REMARK 2 -REMARK 2 RESOLUTION. 1.00 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : NULL -REMARK 3 AUTHORS : NULL -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.00 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL -REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL -REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL -REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL -REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL -REMARK 3 NUMBER OF REFLECTIONS : NULL -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : NULL -REMARK 3 FREE R VALUE TEST SET SELECTION : NULL -REMARK 3 R VALUE (WORKING SET) : NULL -REMARK 3 FREE R VALUE : NULL -REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT : NULL -REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : NULL -REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL -REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL -REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL -REMARK 3 BIN R VALUE (WORKING SET) : NULL -REMARK 3 BIN FREE R VALUE : NULL -REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL -REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 909 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 6 -REMARK 3 SOLVENT ATOMS : 189 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : NULL -REMARK 3 B22 (A**2) : NULL -REMARK 3 B33 (A**2) : NULL -REMARK 3 B12 (A**2) : NULL -REMARK 3 B13 (A**2) : NULL -REMARK 3 B23 (A**2) : NULL -REMARK 3 -REMARK 3 ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL -REMARK 3 ESD FROM SIGMAA (A) : NULL -REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL -REMARK 3 -REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL -REMARK 3 ESD FROM C-V SIGMAA (A) : NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 BOND LENGTHS (A) : NULL -REMARK 3 BOND ANGLES (DEGREES) : NULL -REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL -REMARK 3 IMPROPER ANGLES (DEGREES) : NULL -REMARK 3 -REMARK 3 ISOTROPIC THERMAL MODEL : NULL -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 NCS MODEL : NULL -REMARK 3 -REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT -REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL -REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 PARAMETER FILE 1 : NULL -REMARK 3 TOPOLOGY FILE 1 : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 5PTI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION; NEUTRON -REMARK 200 DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : NULL -REMARK 200 TEMPERATURE (KELVIN) : NULL -REMARK 200 PH : NULL -REMARK 200 NUMBER OF CRYSTALS USED : NULL -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : NULL -REMARK 200 RADIATION SOURCE : NULL -REMARK 200 BEAMLINE : NULL -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL -REMARK 200 WAVELENGTH OR RANGE (A) : NULL -REMARK 200 MONOCHROMATOR : NULL -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : NULL -REMARK 200 DETECTOR MANUFACTURER : NULL -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL -REMARK 200 DATA SCALING SOFTWARE : NULL -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL -REMARK 200 RESOLUTION RANGE HIGH (A) : NULL -REMARK 200 RESOLUTION RANGE LOW (A) : NULL -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : NULL -REMARK 200 DATA REDUNDANCY : NULL -REMARK 200 R MERGE (I) : NULL -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : NULL -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL -REMARK 200 COMPLETENESS FOR SHELL (%) : NULL -REMARK 200 DATA REDUNDANCY IN SHELL : NULL -REMARK 200 R MERGE FOR SHELL (I) : NULL -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : NULL -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: NULL -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL -REMARK 200 SOFTWARE USED: NULL -REMARK 200 STARTING MODEL: NULL -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 35.87 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.92 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: NULL -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X+1/2,-Y,Z+1/2 -REMARK 290 3555 -X,Y+1/2,-Z+1/2 -REMARK 290 4555 X+1/2,-Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 37.05000 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 14.45000 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 11.70000 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 14.45000 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 37.05000 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 11.70000 -REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC -REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC -REMARK 350 SOFTWARE USED: PISA -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE -REMARK 500 OE1 GLU A 49 O DOD A 304 2.03 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC -REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 -REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A -REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 -REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE -REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. -REMARK 500 -REMARK 500 DISTANCE CUTOFF: -REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS -REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE -REMARK 500 O ALA A 58 O DOD A 320 2564 2.19 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 ASP A 3 CB - CA - C ANGL. DEV. = 16.9 DEGREES -REMARK 500 ASP A 3 OD1 - CG - OD2 ANGL. DEV. = -11.7 DEGREES -REMARK 500 ASP A 3 CB - CG - OD2 ANGL. DEV. = 10.4 DEGREES -REMARK 500 GLU A 7 OE1 - CD - OE2 ANGL. DEV. = 8.2 DEGREES -REMARK 500 GLU A 7 OE1 - CD - OE2 ANGL. DEV. = -33.0 DEGREES -REMARK 500 TYR A 10 CB - CG - CD1 ANGL. DEV. = -3.8 DEGREES -REMARK 500 CYS A 14 CB - CA - C ANGL. DEV. = 7.4 DEGREES -REMARK 500 ARG A 17 CD - NE - CZ ANGL. DEV. = 29.6 DEGREES -REMARK 500 ARG A 17 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES -REMARK 500 TYR A 23 CZ - CE2 - CD2 ANGL. DEV. = -5.5 DEGREES -REMARK 500 PHE A 45 CB - CG - CD2 ANGL. DEV. = -4.4 DEGREES -REMARK 500 GLU A 49 CB - CG - CD ANGL. DEV. = 16.5 DEGREES -REMARK 500 GLU A 49 OE1 - CD - OE2 ANGL. DEV. = -28.5 DEGREES -REMARK 500 GLU A 49 CG - CD - OE1 ANGL. DEV. = 20.9 DEGREES -REMARK 500 ASP A 50 CB - CA - C ANGL. DEV. = -15.5 DEGREES -REMARK 500 ASP A 50 OD1 - CG - OD2 ANGL. DEV. = 21.9 DEGREES -REMARK 500 ASP A 50 CB - CG - OD1 ANGL. DEV. = -10.5 DEGREES -REMARK 500 ASP A 50 CB - CG - OD2 ANGL. DEV. = -11.3 DEGREES -REMARK 500 GLY A 57 C - N - CA ANGL. DEV. = 14.5 DEGREES -REMARK 500 ALA A 58 CB - CA - C ANGL. DEV. = 19.3 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CHIRAL CENTERS -REMARK 500 -REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL -REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY -REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) -REMARK 500 -REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS -REMARK 500 GLU A 7 23.0 L L OUTSIDE RANGE -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 600 -REMARK 600 HETEROGEN -REMARK 600 HETATM UNX 324 IS PROBABLY A POTASSIUM ION IN A PARTIALLY -REMARK 600 OCCUPIED SITE. -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 70 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE UNX A 324 -DBREF 5PTI A 1 58 UNP P00974 BPT1_BOVIN 36 93 -SEQRES 1 A 58 ARG PRO ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO -SEQRES 2 A 58 CYS LYS ALA ARG ILE ILE ARG TYR PHE TYR ASN ALA LYS -SEQRES 3 A 58 ALA GLY LEU CYS GLN THR PHE VAL TYR GLY GLY CYS ARG -SEQRES 4 A 58 ALA LYS ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET -SEQRES 5 A 58 ARG THR CYS GLY GLY ALA -HET PO4 A 70 5 -HET UNX A 324 1 -HETNAM PO4 PHOSPHATE ION -HETNAM UNX UNKNOWN ATOM OR ION -HETNAM DOD DEUTERATED WATER -FORMUL 2 PO4 O4 P 3- -FORMUL 3 UNX X -FORMUL 4 DOD 63(O) -HELIX 1 H1 PRO A 2 GLU A 7 5ALL DONORS,ACCEPTORS INCLUDED 6 -HELIX 2 H2 SER A 47 GLY A 56 1ALL DONORS,ACCEPTORS INCLUDED 10 -SHEET 1 S1 3 LEU A 29 TYR A 35 0 -SHEET 2 S1 3 ILE A 18 ASN A 24 -1 N ILE A 18 O TYR A 35 -SHEET 3 S1 3 PHE A 45 PHE A 45 -1 N PHE A 45 O TYR A 21 -SSBOND 1 CYS A 5 CYS A 55 1555 1555 2.04 -SSBOND 2 CYS A 14 CYS A 38 1555 1555 2.03 -SSBOND 3 CYS A 30 CYS A 51 1555 1555 2.02 -SITE 1 AC1 5 ARG A 20 TYR A 35 LYS A 41 DOD A 140 -SITE 2 AC1 5 DOD A 157 -SITE 1 AC2 3 TYR A 23 CYS A 30 MET A 52 -CRYST1 74.100 23.400 28.900 90.00 90.00 90.00 P 21 21 21 4 -ORIGX1 0.013495 0.000000 0.000000 0.00000 -ORIGX2 0.000000 0.042735 0.000000 0.00000 -ORIGX3 0.000000 0.000000 0.034602 0.00000 -SCALE1 0.013495 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.042735 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.034602 0.00000 -ATOM 1 N ARG A 1 32.231 15.281 -13.143 1.00 28.28 N -ATOM 2 CA ARG A 1 32.184 14.697 -11.772 1.00 27.90 C -ATOM 3 C ARG A 1 33.438 13.890 -11.387 1.00 24.90 C -ATOM 4 O ARG A 1 34.102 13.070 -12.066 1.00 24.44 O -ATOM 5 CB ARG A 1 30.797 14.065 -11.625 1.00 27.88 C -ATOM 6 CG ARG A 1 30.976 12.589 -11.819 1.00 29.61 C -ATOM 7 CD ARG A 1 29.608 12.016 -11.694 1.00 31.91 C -ATOM 8 NE ARG A 1 28.942 12.335 -12.945 1.00 33.51 N -ATOM 9 CZ ARG A 1 27.670 12.696 -13.050 1.00 34.29 C -ATOM 10 NH1 ARG A 1 26.901 12.777 -11.999 1.00 34.48 N -ATOM 11 NH2 ARG A 1 27.161 12.963 -14.255 1.00 35.44 N -ATOM 12 D1 ARG A 1 32.983 14.824 -13.703 1.00 27.71 D -ATOM 13 D2 ARG A 1 31.275 15.112 -13.535 1.00 28.50 D -ATOM 14 D3 ARG A 1 32.174 16.346 -13.050 1.00 28.23 D -ATOM 15 HA ARG A 1 32.192 15.563 -11.115 1.00 26.97 H -ATOM 16 HB2 ARG A 1 30.392 14.428 -10.697 1.00 28.71 H -ATOM 17 HB3 ARG A 1 30.182 14.438 -12.437 1.00 28.97 H -ATOM 18 HG2 ARG A 1 31.369 12.359 -12.800 1.00 29.44 H -ATOM 19 HG3 ARG A 1 31.591 12.143 -11.105 1.00 29.52 H -ATOM 20 HD2 ARG A 1 29.656 10.965 -11.482 1.00 31.41 H -ATOM 21 HD3 ARG A 1 29.218 12.381 -10.794 1.00 31.29 H -ATOM 22 DE ARG A 1 29.457 12.292 -13.843 1.00 34.62 D -ATOM 23 DH11 ARG A 1 25.930 13.038 -12.118 1.00 34.80 D -ATOM 24 DH12 ARG A 1 27.324 12.549 -11.100 1.00 34.71 D -ATOM 25 DH21 ARG A 1 27.786 12.886 -15.076 1.00 33.93 D -ATOM 26 DH22 ARG A 1 26.154 13.214 -14.269 1.00 34.53 D -ATOM 27 N PRO A 2 33.738 14.173 -10.126 1.00 22.41 N -ATOM 28 CA PRO A 2 34.897 13.603 -9.390 1.00 19.52 C -ATOM 29 C PRO A 2 34.652 12.135 -9.374 1.00 17.70 C -ATOM 30 O PRO A 2 33.583 11.537 -9.255 1.00 16.41 O -ATOM 31 CB PRO A 2 34.826 14.292 -8.056 1.00 21.00 C -ATOM 32 CG PRO A 2 33.927 15.515 -8.135 1.00 20.91 C -ATOM 33 CD PRO A 2 32.967 15.143 -9.243 1.00 22.49 C -ATOM 34 HA PRO A 2 35.676 14.152 -9.928 1.00 20.45 H -ATOM 35 HB2 PRO A 2 34.431 13.672 -7.369 1.00 19.62 H -ATOM 36 HB3 PRO A 2 35.763 14.517 -7.635 1.00 20.71 H -ATOM 37 HG2 PRO A 2 33.695 15.873 -7.330 1.00 21.92 H -ATOM 38 HG3 PRO A 2 34.491 16.303 -8.682 1.00 21.93 H -ATOM 39 HD2 PRO A 2 32.028 14.742 -9.058 1.00 22.01 H -ATOM 40 HD3 PRO A 2 32.880 16.031 -9.875 1.00 22.06 H -ATOM 41 N ASP A 3 35.790 11.466 -9.466 1.00 16.15 N -ATOM 42 CA ASP A 3 35.837 10.014 -9.507 1.00 17.15 C -ATOM 43 C ASP A 3 35.296 9.402 -8.236 1.00 13.33 C -ATOM 44 O ASP A 3 34.812 8.288 -8.260 1.00 12.36 O -ATOM 45 CB ASP A 3 37.124 9.634 -10.244 1.00 24.92 C -ATOM 46 CG ASP A 3 36.968 9.957 -11.773 1.00 31.50 C -ATOM 47 OD1 ASP A 3 37.083 11.141 -12.174 1.00 35.71 O -ATOM 48 OD2 ASP A 3 36.712 9.158 -12.735 1.00 35.43 O -ATOM 49 D ASP A 3 36.688 11.887 -9.571 1.00 17.62 D -ATOM 50 HA ASP A 3 35.144 9.745 -10.321 1.00 17.24 H -ATOM 51 HB2 ASP A 3 37.980 10.245 -10.070 1.00 24.71 H -ATOM 52 HB3 ASP A 3 37.455 8.626 -10.132 1.00 24.82 H -ATOM 53 N PHE A 4 35.466 10.210 -7.174 1.00 12.38 N -ATOM 54 CA PHE A 4 34.975 9.704 -5.855 1.00 13.61 C -ATOM 55 C PHE A 4 33.438 9.514 -5.843 1.00 13.10 C -ATOM 56 O PHE A 4 32.937 8.733 -5.020 1.00 13.82 O -ATOM 57 CB PHE A 4 35.435 10.423 -4.613 1.00 12.65 C -ATOM 58 CG PHE A 4 34.960 11.819 -4.512 1.00 12.81 C -ATOM 59 CD1 PHE A 4 33.708 12.036 -3.946 1.00 12.38 C -ATOM 60 CD2 PHE A 4 35.717 12.897 -4.923 1.00 13.29 C -ATOM 61 CE1 PHE A 4 33.249 13.321 -3.826 1.00 14.62 C -ATOM 62 CE2 PHE A 4 35.276 14.180 -4.764 1.00 14.01 C -ATOM 63 CZ PHE A 4 33.998 14.423 -4.229 1.00 13.69 C -ATOM 64 D PHE A 4 35.855 11.106 -7.148 1.00 12.61 D -ATOM 65 HA PHE A 4 35.473 8.781 -5.789 1.00 13.11 H -ATOM 66 HB2 PHE A 4 34.977 9.863 -3.723 1.00 13.10 H -ATOM 67 HB3 PHE A 4 36.455 10.163 -4.400 1.00 13.31 H -ATOM 68 HD1 PHE A 4 33.150 11.213 -3.635 1.00 13.03 H -ATOM 69 HD2 PHE A 4 36.680 12.699 -5.370 1.00 12.63 H -ATOM 70 HE1 PHE A 4 32.321 13.499 -3.366 1.00 13.29 H -ATOM 71 HE2 PHE A 4 35.758 15.036 -5.065 1.00 13.88 H -ATOM 72 HZ PHE A 4 33.588 15.411 -4.093 1.00 14.46 H -ATOM 73 N CYS A 5 32.757 10.236 -6.732 1.00 12.49 N -ATOM 74 CA CYS A 5 31.286 10.029 -6.794 1.00 10.18 C -ATOM 75 C CYS A 5 30.864 8.652 -7.254 1.00 10.29 C -ATOM 76 O CYS A 5 29.690 8.279 -7.116 1.00 10.73 O -ATOM 77 CB CYS A 5 30.794 11.065 -7.789 1.00 10.74 C -ATOM 78 SG CYS A 5 31.075 12.797 -7.325 1.00 12.66 S -ATOM 79 D CYS A 5 33.206 10.888 -7.363 1.00 12.80 D -ATOM 80 HA CYS A 5 30.964 10.266 -5.800 1.00 10.82 H -ATOM 81 HB2 CYS A 5 31.501 10.869 -8.603 1.00 11.04 H -ATOM 82 HB3 CYS A 5 29.793 10.892 -8.171 1.00 10.88 H -ATOM 83 N LEU A 6 31.740 7.909 -7.843 1.00 10.75 N -ATOM 84 CA LEU A 6 31.467 6.583 -8.351 1.00 12.75 C -ATOM 85 C LEU A 6 31.799 5.589 -7.246 1.00 13.85 C -ATOM 86 O LEU A 6 31.435 4.425 -7.543 1.00 15.33 O -ATOM 87 CB LEU A 6 32.345 6.258 -9.563 1.00 14.73 C -ATOM 88 CG LEU A 6 32.299 7.212 -10.787 1.00 16.78 C -ATOM 89 CD1 LEU A 6 33.160 6.693 -11.917 1.00 17.42 C -ATOM 90 CD2 LEU A 6 30.881 7.341 -11.280 1.00 16.88 C -ATOM 91 D LEU A 6 32.679 8.218 -7.970 1.00 11.34 D -ATOM 92 HA LEU A 6 30.422 6.406 -8.558 1.00 13.62 H -ATOM 93 HB2 LEU A 6 33.392 6.256 -9.245 1.00 14.22 H -ATOM 94 HB3 LEU A 6 32.141 5.230 -9.918 1.00 14.86 H -ATOM 95 HG LEU A 6 32.550 8.192 -10.401 1.00 16.74 H -ATOM 96 HD11 LEU A 6 34.189 6.620 -11.585 1.00 17.89 H -ATOM 97 HD12 LEU A 6 32.719 5.718 -12.170 1.00 17.82 H -ATOM 98 HD13 LEU A 6 33.064 7.391 -12.752 1.00 17.88 H -ATOM 99 HD21 LEU A 6 30.328 6.553 -10.667 1.00 16.77 H -ATOM 100 HD22 LEU A 6 30.078 8.051 -11.126 1.00 17.21 H -ATOM 101 HD23 LEU A 6 30.861 7.064 -12.332 1.00 16.98 H -ATOM 102 N GLU A 7 32.397 5.971 -6.128 1.00 12.79 N -ATOM 103 CA GLU A 7 32.663 4.924 -5.112 1.00 15.64 C -ATOM 104 C GLU A 7 31.435 4.576 -4.301 1.00 12.90 C -ATOM 105 O GLU A 7 30.565 5.427 -4.120 1.00 12.97 O -ATOM 106 CB AGLU A 7 33.865 5.265 -4.204 0.50 17.43 C -ATOM 107 CB BGLU A 7 34.000 4.971 -4.371 0.50 15.43 C -ATOM 108 CG AGLU A 7 34.117 6.694 -3.781 0.50 19.72 C -ATOM 109 CG BGLU A 7 35.189 5.031 -5.331 0.50 15.96 C -ATOM 110 CD AGLU A 7 34.935 7.120 -2.561 0.50 20.46 C -ATOM 111 CD BGLU A 7 35.814 3.742 -5.819 0.50 16.40 C -ATOM 112 OE1AGLU A 7 36.104 6.753 -2.502 0.50 22.37 O -ATOM 113 OE1BGLU A 7 35.348 2.965 -6.631 0.50 16.49 O -ATOM 114 OE2AGLU A 7 34.267 7.823 -1.815 0.50 18.99 O -ATOM 115 OE2BGLU A 7 35.846 2.854 -4.979 0.50 16.88 O -ATOM 116 D GLU A 7 32.631 6.879 -5.916 1.00 13.33 D -ATOM 117 HA GLU A 7 32.837 4.055 -5.770 1.00 14.63 H -ATOM 118 HB2AGLU A 7 33.913 4.637 -3.325 0.50 18.60 H -ATOM 119 HB2BGLU A 7 34.007 5.833 -3.693 0.50 15.91 H -ATOM 120 HB3AGLU A 7 34.757 4.929 -4.809 0.50 17.98 H -ATOM 121 HB3BGLU A 7 34.147 4.095 -3.748 0.50 15.98 H -ATOM 122 HG2AGLU A 7 34.689 7.248 -4.538 0.50 19.95 H -ATOM 123 HG2BGLU A 7 34.911 5.551 -6.241 0.50 15.98 H -ATOM 124 HG3AGLU A 7 33.221 7.296 -3.671 0.50 19.64 H -ATOM 125 HG3BGLU A 7 35.976 5.605 -4.862 0.50 16.05 H -ATOM 126 N PRO A 8 31.351 3.333 -3.911 1.00 13.23 N -ATOM 127 CA PRO A 8 30.224 2.852 -3.086 1.00 13.50 C -ATOM 128 C PRO A 8 30.334 3.516 -1.707 1.00 12.26 C -ATOM 129 O PRO A 8 31.391 3.997 -1.293 1.00 11.77 O -ATOM 130 CB PRO A 8 30.283 1.334 -2.995 1.00 15.10 C -ATOM 131 CG PRO A 8 31.757 1.097 -3.199 1.00 16.05 C -ATOM 132 CD PRO A 8 32.313 2.218 -4.085 1.00 15.37 C -ATOM 133 HA PRO A 8 29.270 3.086 -3.515 1.00 13.91 H -ATOM 134 HB2 PRO A 8 29.909 0.979 -2.059 1.00 15.27 H -ATOM 135 HB3 PRO A 8 29.773 0.877 -3.721 1.00 15.88 H -ATOM 136 HG2 PRO A 8 32.262 1.339 -2.263 1.00 15.42 H -ATOM 137 HG3 PRO A 8 31.885 0.245 -3.473 1.00 15.73 H -ATOM 138 HD2 PRO A 8 33.271 2.433 -3.655 1.00 14.70 H -ATOM 139 HD3 PRO A 8 32.442 2.084 -5.129 1.00 13.81 H -ATOM 140 N PRO A 9 29.200 3.631 -1.017 1.00 11.39 N -ATOM 141 CA PRO A 9 29.160 4.238 0.321 1.00 11.12 C -ATOM 142 C PRO A 9 29.993 3.377 1.274 1.00 10.17 C -ATOM 143 O PRO A 9 30.074 2.152 1.156 1.00 12.88 O -ATOM 144 CB PRO A 9 27.687 4.418 0.604 1.00 11.43 C -ATOM 145 CG PRO A 9 27.075 3.186 -0.051 1.00 12.21 C -ATOM 146 CD PRO A 9 27.842 3.087 -1.403 1.00 11.84 C -ATOM 147 HA PRO A 9 29.948 4.895 0.524 1.00 11.67 H -ATOM 148 HB2 PRO A 9 27.561 4.500 1.669 1.00 11.73 H -ATOM 149 HB3 PRO A 9 27.101 5.216 0.385 1.00 11.99 H -ATOM 150 HG2 PRO A 9 27.438 2.371 0.555 1.00 12.56 H -ATOM 151 HG3 PRO A 9 26.185 3.227 -0.191 1.00 12.62 H -ATOM 152 HD2 PRO A 9 28.020 2.060 -1.684 1.00 12.42 H -ATOM 153 HD3 PRO A 9 27.381 3.649 -2.145 1.00 12.15 H -ATOM 154 N TYR A 10 30.651 4.022 2.200 1.00 9.53 N -ATOM 155 CA TYR A 10 31.512 3.320 3.156 1.00 10.73 C -ATOM 156 C TYR A 10 31.044 3.577 4.617 1.00 9.35 C -ATOM 157 O TYR A 10 31.146 4.687 5.117 1.00 9.61 O -ATOM 158 CB TYR A 10 32.937 3.888 2.901 1.00 12.55 C -ATOM 159 CG TYR A 10 33.970 3.270 3.808 1.00 14.36 C -ATOM 160 CD1 TYR A 10 34.254 1.932 3.622 1.00 16.08 C -ATOM 161 CD2 TYR A 10 34.619 4.002 4.797 1.00 14.93 C -ATOM 162 CE1 TYR A 10 35.226 1.305 4.406 1.00 16.73 C -ATOM 163 CE2 TYR A 10 35.621 3.422 5.573 1.00 15.90 C -ATOM 164 CZ TYR A 10 35.896 2.071 5.383 1.00 17.33 C -ATOM 165 OH TYR A 10 36.861 1.438 6.195 1.00 19.17 O -ATOM 166 D TYR A 10 30.552 5.011 2.208 1.00 11.16 D -ATOM 167 HA TYR A 10 31.496 2.274 3.038 1.00 9.89 H -ATOM 168 HB2 TYR A 10 33.209 3.682 1.839 1.00 12.54 H -ATOM 169 HB3 TYR A 10 32.886 4.980 2.956 1.00 13.38 H -ATOM 170 HD1 TYR A 10 33.815 1.318 2.852 1.00 15.57 H -ATOM 171 HD2 TYR A 10 34.400 5.053 4.955 1.00 15.82 H -ATOM 172 HE1 TYR A 10 35.521 0.270 4.282 1.00 17.01 H -ATOM 173 HE2 TYR A 10 36.108 3.926 6.391 1.00 16.44 H -ATOM 174 DH TYR A 10 37.454 0.912 5.573 1.00 18.49 D -ATOM 175 N THR A 11 30.520 2.576 5.235 1.00 10.38 N -ATOM 176 CA THR A 11 30.045 2.720 6.641 1.00 12.46 C -ATOM 177 C THR A 11 31.223 2.838 7.584 1.00 11.29 C -ATOM 178 O THR A 11 31.192 3.641 8.497 1.00 11.82 O -ATOM 179 CB THR A 11 29.228 1.496 7.037 1.00 13.67 C -ATOM 180 OG1 THR A 11 28.069 1.656 6.232 1.00 15.23 O -ATOM 181 CG2 THR A 11 28.852 1.446 8.517 1.00 14.27 C -ATOM 182 D THR A 11 30.436 1.643 4.870 1.00 10.49 D -ATOM 183 HA THR A 11 29.423 3.601 6.562 1.00 11.61 H -ATOM 184 HB THR A 11 29.870 0.631 6.788 1.00 14.33 H -ATOM 185 DG1 THR A 11 27.430 2.351 6.648 1.00 13.46 D -ATOM 186 HG21 THR A 11 28.326 2.341 8.826 1.00 14.24 H -ATOM 187 HG22 THR A 11 28.145 0.662 8.885 1.00 14.01 H -ATOM 188 HG23 THR A 11 29.753 1.305 9.111 1.00 14.17 H -ATOM 189 N GLY A 12 32.251 2.091 7.350 1.00 12.43 N -ATOM 190 CA GLY A 12 33.523 2.128 8.130 1.00 13.15 C -ATOM 191 C GLY A 12 33.399 1.159 9.309 1.00 12.80 C -ATOM 192 O GLY A 12 32.437 0.461 9.511 1.00 12.30 O -ATOM 193 D GLY A 12 32.396 1.396 6.648 1.00 13.32 D -ATOM 194 HA2 GLY A 12 34.329 1.947 7.445 1.00 12.98 H -ATOM 195 HA3 GLY A 12 33.702 3.161 8.474 1.00 12.73 H -ATOM 196 N PRO A 13 34.502 1.082 10.072 1.00 14.49 N -ATOM 197 CA PRO A 13 34.519 0.168 11.227 1.00 13.95 C -ATOM 198 C PRO A 13 33.916 0.539 12.596 1.00 13.29 C -ATOM 199 O PRO A 13 33.930 -0.237 13.544 1.00 14.10 O -ATOM 200 CB PRO A 13 36.012 -0.082 11.370 1.00 13.23 C -ATOM 201 CG PRO A 13 36.631 1.239 10.992 1.00 14.60 C -ATOM 202 CD PRO A 13 35.765 1.879 9.928 1.00 13.98 C -ATOM 203 HA PRO A 13 33.847 -0.643 11.074 1.00 14.35 H -ATOM 204 HB2 PRO A 13 36.119 -0.140 12.472 1.00 14.34 H -ATOM 205 HB3 PRO A 13 36.450 -0.937 11.151 1.00 15.01 H -ATOM 206 HG2 PRO A 13 36.465 1.829 11.916 1.00 14.42 H -ATOM 207 HG3 PRO A 13 37.553 1.200 10.948 1.00 14.14 H -ATOM 208 HD2 PRO A 13 35.329 2.839 10.245 1.00 15.29 H -ATOM 209 HD3 PRO A 13 36.248 1.923 9.001 1.00 14.83 H -ATOM 210 N CYS A 14 33.434 1.727 12.750 1.00 12.13 N -ATOM 211 CA CYS A 14 32.817 2.337 13.956 1.00 13.10 C -ATOM 212 C CYS A 14 31.326 1.931 13.983 1.00 14.28 C -ATOM 213 O CYS A 14 30.770 1.555 12.956 1.00 14.31 O -ATOM 214 CB CYS A 14 33.176 3.792 14.087 1.00 11.97 C -ATOM 215 SG CYS A 14 34.877 4.044 14.560 1.00 12.63 S -ATOM 216 D CYS A 14 33.427 2.362 11.996 1.00 13.25 D -ATOM 217 HA CYS A 14 33.224 1.848 14.827 1.00 13.16 H -ATOM 218 HB2 CYS A 14 33.021 4.260 13.114 1.00 13.49 H -ATOM 219 HB3 CYS A 14 32.555 4.350 14.792 1.00 13.18 H -ATOM 220 N LYS A 15 30.797 1.938 15.212 1.00 15.59 N -ATOM 221 CA LYS A 15 29.455 1.371 15.454 1.00 16.40 C -ATOM 222 C LYS A 15 28.360 2.334 15.735 1.00 14.53 C -ATOM 223 O LYS A 15 27.329 1.956 16.299 1.00 16.12 O -ATOM 224 CB LYS A 15 29.669 0.354 16.551 1.00 20.41 C -ATOM 225 CG LYS A 15 30.972 -0.476 16.541 1.00 23.07 C -ATOM 226 CD LYS A 15 30.959 -1.503 15.478 1.00 26.62 C -ATOM 227 CE LYS A 15 32.296 -2.170 15.136 1.00 30.12 C -ATOM 228 NZ LYS A 15 31.836 -3.309 14.215 1.00 33.66 N -ATOM 229 D LYS A 15 31.295 2.148 16.031 1.00 14.44 D -ATOM 230 HA LYS A 15 29.255 0.802 14.539 1.00 16.86 H -ATOM 231 HB2 LYS A 15 29.799 0.904 17.523 1.00 20.00 H -ATOM 232 HB3 LYS A 15 28.831 -0.272 16.908 1.00 19.65 H -ATOM 233 HG2 LYS A 15 31.824 0.190 16.751 1.00 23.69 H -ATOM 234 HG3 LYS A 15 30.934 -0.947 17.555 1.00 23.35 H -ATOM 235 HD2 LYS A 15 30.314 -2.379 15.590 1.00 26.65 H -ATOM 236 HD3 LYS A 15 30.655 -1.058 14.485 1.00 26.43 H -ATOM 237 HE2 LYS A 15 32.766 -1.611 14.351 1.00 30.52 H -ATOM 238 HE3 LYS A 15 32.769 -2.717 15.928 1.00 30.42 H -ATOM 239 DZ1 LYS A 15 31.352 -2.960 13.354 1.00 32.81 D -ATOM 240 DZ2 LYS A 15 32.722 -3.881 14.018 1.00 33.31 D -ATOM 241 DZ3 LYS A 15 31.212 -4.018 14.678 1.00 32.78 D -ATOM 242 N ALA A 16 28.538 3.555 15.339 1.00 12.01 N -ATOM 243 CA ALA A 16 27.519 4.598 15.454 1.00 12.90 C -ATOM 244 C ALA A 16 26.498 4.287 14.310 1.00 12.51 C -ATOM 245 O ALA A 16 26.836 3.476 13.402 1.00 13.19 O -ATOM 246 CB ALA A 16 27.988 6.045 15.277 1.00 11.07 C -ATOM 247 D ALA A 16 29.382 3.725 14.844 1.00 15.12 D -ATOM 248 HA ALA A 16 27.005 4.610 16.375 1.00 11.30 H -ATOM 249 HB1 ALA A 16 28.805 6.350 15.920 1.00 12.51 H -ATOM 250 HB2 ALA A 16 28.517 6.226 14.332 1.00 12.25 H -ATOM 251 HB3 ALA A 16 27.104 6.681 15.367 1.00 12.27 H -ATOM 252 N ARG A 17 25.365 4.924 14.324 1.00 12.27 N -ATOM 253 CA ARG A 17 24.373 4.865 13.248 1.00 13.57 C -ATOM 254 C ARG A 17 24.031 6.307 12.896 1.00 11.67 C -ATOM 255 O ARG A 17 23.100 6.914 13.431 1.00 13.64 O -ATOM 256 CB ARG A 17 23.121 4.138 13.566 1.00 15.95 C -ATOM 257 CG ARG A 17 23.529 2.682 13.790 1.00 21.32 C -ATOM 258 CD ARG A 17 22.243 2.045 14.156 1.00 25.64 C -ATOM 259 NE ARG A 17 21.702 1.586 12.894 1.00 32.90 N -ATOM 260 CZ ARG A 17 20.864 1.665 11.854 1.00 35.77 C -ATOM 261 NH1 ARG A 17 19.924 2.628 11.721 1.00 36.79 N -ATOM 262 NH2 ARG A 17 20.970 0.717 10.868 1.00 36.81 N -ATOM 263 D ARG A 17 25.215 5.619 15.055 1.00 13.85 D -ATOM 264 HA ARG A 17 24.803 4.465 12.336 1.00 12.52 H -ATOM 265 HB2 ARG A 17 22.566 4.456 14.456 1.00 17.10 H -ATOM 266 HB3 ARG A 17 22.446 4.306 12.740 1.00 17.01 H -ATOM 267 HG2 ARG A 17 24.096 2.201 13.028 1.00 20.76 H -ATOM 268 HG3 ARG A 17 24.162 2.597 14.652 1.00 20.12 H -ATOM 269 HD2 ARG A 17 22.509 1.196 14.762 1.00 27.02 H -ATOM 270 HD3 ARG A 17 21.617 2.668 14.729 1.00 26.69 H -ATOM 271 DE ARG A 17 22.338 0.732 12.765 1.00 34.58 D -ATOM 272 DH11 ARG A 17 19.809 3.376 12.418 1.00 35.94 D -ATOM 273 DH12 ARG A 17 19.300 2.647 10.901 1.00 35.75 D -ATOM 274 DH21 ARG A 17 21.641 -0.055 10.942 1.00 35.56 D -ATOM 275 DH22 ARG A 17 20.319 0.741 10.088 1.00 35.91 D -ATOM 276 N ILE A 18 24.783 6.955 12.017 1.00 10.78 N -ATOM 277 CA ILE A 18 24.709 8.341 11.537 1.00 10.61 C -ATOM 278 C ILE A 18 24.204 8.278 10.079 1.00 10.94 C -ATOM 279 O ILE A 18 24.876 7.679 9.249 1.00 10.62 O -ATOM 280 CB ILE A 18 26.042 9.082 11.623 1.00 11.97 C -ATOM 281 CG1 ILE A 18 26.652 9.020 13.051 1.00 13.12 C -ATOM 282 CG2 ILE A 18 25.974 10.525 11.176 1.00 10.95 C -ATOM 283 CD1 ILE A 18 28.148 9.276 13.084 1.00 13.42 C -ATOM 284 H ILE A 18 25.549 6.401 11.624 1.00 11.76 H -ATOM 285 HA ILE A 18 24.000 8.847 12.188 1.00 11.05 H -ATOM 286 HB ILE A 18 26.865 8.594 11.118 1.00 11.50 H -ATOM 287 HG12 ILE A 18 25.954 9.414 13.777 1.00 13.26 H -ATOM 288 HG13 ILE A 18 26.548 7.951 13.380 1.00 13.89 H -ATOM 289 HG21 ILE A 18 25.331 10.602 10.286 1.00 11.59 H -ATOM 290 HG22 ILE A 18 25.493 11.179 11.921 1.00 12.37 H -ATOM 291 HG23 ILE A 18 26.964 10.890 10.940 1.00 12.46 H -ATOM 292 HD11 ILE A 18 28.535 10.191 12.656 1.00 14.38 H -ATOM 293 HD12 ILE A 18 28.455 8.952 14.098 1.00 13.86 H -ATOM 294 HD13 ILE A 18 28.699 8.514 12.441 1.00 13.73 H -ATOM 295 N ILE A 19 23.050 8.866 9.854 1.00 10.63 N -ATOM 296 CA ILE A 19 22.472 8.852 8.467 1.00 11.65 C -ATOM 297 C ILE A 19 23.093 9.970 7.681 1.00 10.38 C -ATOM 298 O ILE A 19 23.078 11.156 8.055 1.00 12.22 O -ATOM 299 CB ILE A 19 20.954 9.049 8.496 1.00 13.30 C -ATOM 300 CG1 ILE A 19 20.478 7.843 9.308 1.00 15.24 C -ATOM 301 CG2 ILE A 19 20.383 9.074 7.118 1.00 13.64 C -ATOM 302 CD1 ILE A 19 21.047 6.435 9.116 1.00 16.83 C -ATOM 303 D ILE A 19 22.527 9.412 10.455 1.00 10.47 D -ATOM 304 HA ILE A 19 22.918 7.937 8.132 1.00 10.97 H -ATOM 305 HB ILE A 19 20.852 10.028 8.952 1.00 14.17 H -ATOM 306 HG12 ILE A 19 20.631 8.038 10.370 1.00 15.45 H -ATOM 307 HG13 ILE A 19 19.392 7.700 9.202 1.00 15.29 H -ATOM 308 HG21 ILE A 19 20.776 8.130 6.682 1.00 13.57 H -ATOM 309 HG22 ILE A 19 19.302 8.957 7.044 1.00 13.63 H -ATOM 310 HG23 ILE A 19 20.641 9.847 6.406 1.00 14.10 H -ATOM 311 HD11 ILE A 19 22.105 6.190 9.208 1.00 15.89 H -ATOM 312 HD12 ILE A 19 20.411 5.657 9.580 1.00 16.70 H -ATOM 313 HD13 ILE A 19 20.856 6.216 8.025 1.00 15.33 H -ATOM 314 N ARG A 20 23.726 9.516 6.564 1.00 10.55 N -ATOM 315 CA ARG A 20 24.442 10.455 5.670 1.00 10.78 C -ATOM 316 C ARG A 20 23.927 10.184 4.206 1.00 9.27 C -ATOM 317 O ARG A 20 23.300 9.191 3.965 1.00 10.69 O -ATOM 318 CB ARG A 20 25.962 10.178 5.691 1.00 9.44 C -ATOM 319 CG ARG A 20 26.624 10.625 7.025 1.00 10.78 C -ATOM 320 CD ARG A 20 26.683 12.084 7.147 1.00 12.14 C -ATOM 321 NE ARG A 20 27.301 12.496 8.436 1.00 13.47 N -ATOM 322 CZ ARG A 20 28.569 12.515 8.793 1.00 14.63 C -ATOM 323 NH1 ARG A 20 29.528 12.120 7.954 1.00 14.38 N -ATOM 324 NH2 ARG A 20 28.880 12.930 10.036 1.00 15.39 N -ATOM 325 H ARG A 20 23.787 8.592 6.237 1.00 11.60 H -ATOM 326 HA ARG A 20 24.058 11.425 5.818 1.00 9.96 H -ATOM 327 HB2 ARG A 20 25.997 9.096 5.514 1.00 11.42 H -ATOM 328 HB3 ARG A 20 26.473 10.556 4.823 1.00 11.61 H -ATOM 329 HG2 ARG A 20 26.061 10.144 7.831 1.00 10.85 H -ATOM 330 HG3 ARG A 20 27.535 10.103 7.169 1.00 11.31 H -ATOM 331 HD2 ARG A 20 27.287 12.570 6.390 1.00 12.19 H -ATOM 332 HD3 ARG A 20 25.902 12.789 7.042 1.00 11.77 H -ATOM 333 DE ARG A 20 26.641 12.861 9.099 1.00 15.00 D -ATOM 334 DH11 ARG A 20 30.497 12.035 8.190 1.00 15.45 D -ATOM 335 DH12 ARG A 20 29.294 11.758 7.027 1.00 15.68 D -ATOM 336 DH21 ARG A 20 29.867 12.914 10.308 1.00 13.82 D -ATOM 337 DH22 ARG A 20 28.137 13.263 10.632 1.00 14.55 D -ATOM 338 N TYR A 21 24.290 11.111 3.341 1.00 9.20 N -ATOM 339 CA TYR A 21 23.980 10.950 1.898 1.00 8.22 C -ATOM 340 C TYR A 21 25.230 10.503 1.171 1.00 8.71 C -ATOM 341 O TYR A 21 26.337 10.911 1.504 1.00 8.47 O -ATOM 342 CB TYR A 21 23.571 12.308 1.316 1.00 9.14 C -ATOM 343 CG TYR A 21 22.096 12.567 1.577 1.00 10.30 C -ATOM 344 CD1 TYR A 21 21.657 13.359 2.656 1.00 10.02 C -ATOM 345 CD2 TYR A 21 21.170 12.008 0.718 1.00 10.29 C -ATOM 346 CE1 TYR A 21 20.312 13.586 2.819 1.00 11.24 C -ATOM 347 CE2 TYR A 21 19.795 12.189 0.909 1.00 11.46 C -ATOM 348 CZ TYR A 21 19.370 13.026 1.971 1.00 12.26 C -ATOM 349 OH TYR A 21 17.995 13.168 2.092 1.00 13.81 O -ATOM 350 H TYR A 21 24.869 11.855 3.627 1.00 9.54 H -ATOM 351 HA TYR A 21 23.253 10.171 1.894 1.00 9.45 H -ATOM 352 HB2 TYR A 21 24.218 13.154 1.485 1.00 10.74 H -ATOM 353 HB3 TYR A 21 23.593 12.133 0.220 1.00 9.35 H -ATOM 354 HD1 TYR A 21 22.396 13.821 3.302 1.00 11.00 H -ATOM 355 HD2 TYR A 21 21.487 11.347 -0.072 1.00 10.53 H -ATOM 356 HE1 TYR A 21 19.977 14.203 3.642 1.00 10.87 H -ATOM 357 HE2 TYR A 21 19.073 11.749 0.247 1.00 11.44 H -ATOM 358 DH TYR A 21 17.713 13.930 2.654 1.00 14.85 D -ATOM 359 N PHE A 22 24.953 9.731 0.125 1.00 7.43 N -ATOM 360 CA PHE A 22 25.997 9.344 -0.804 1.00 6.76 C -ATOM 361 C PHE A 22 25.379 9.511 -2.224 1.00 7.20 C -ATOM 362 O PHE A 22 24.147 9.372 -2.366 1.00 7.41 O -ATOM 363 CB PHE A 22 26.543 7.944 -0.689 1.00 6.59 C -ATOM 364 CG PHE A 22 25.670 6.853 -1.112 1.00 7.76 C -ATOM 365 CD1 PHE A 22 25.945 6.167 -2.285 1.00 8.47 C -ATOM 366 CD2 PHE A 22 24.511 6.513 -0.412 1.00 8.78 C -ATOM 367 CE1 PHE A 22 25.147 5.127 -2.683 1.00 9.15 C -ATOM 368 CE2 PHE A 22 23.691 5.457 -0.800 1.00 9.59 C -ATOM 369 CZ PHE A 22 24.024 4.780 -1.963 1.00 9.79 C -ATOM 370 H PHE A 22 24.062 9.484 -0.227 1.00 8.93 H -ATOM 371 HA PHE A 22 26.914 9.910 -0.832 1.00 6.50 H -ATOM 372 HB2 PHE A 22 27.448 8.048 -1.293 1.00 7.09 H -ATOM 373 HB3 PHE A 22 26.675 7.814 0.433 1.00 5.77 H -ATOM 374 HD1 PHE A 22 26.792 6.452 -2.819 1.00 8.71 H -ATOM 375 HD2 PHE A 22 24.305 7.028 0.503 1.00 8.57 H -ATOM 376 HE1 PHE A 22 25.378 4.634 -3.594 1.00 9.13 H -ATOM 377 HE2 PHE A 22 22.866 5.192 -0.228 1.00 9.05 H -ATOM 378 HZ PHE A 22 23.411 3.987 -2.299 1.00 9.64 H -ATOM 379 N TYR A 23 26.248 9.721 -3.224 1.00 8.20 N -ATOM 380 CA TYR A 23 25.779 9.725 -4.634 1.00 7.28 C -ATOM 381 C TYR A 23 25.786 8.322 -5.124 1.00 7.57 C -ATOM 382 O TYR A 23 26.818 7.621 -5.132 1.00 8.16 O -ATOM 383 CB TYR A 23 26.759 10.511 -5.499 1.00 9.85 C -ATOM 384 CG TYR A 23 26.248 10.666 -6.944 1.00 9.96 C -ATOM 385 CD1 TYR A 23 26.914 10.044 -7.987 1.00 10.97 C -ATOM 386 CD2 TYR A 23 25.125 11.475 -7.226 1.00 11.33 C -ATOM 387 CE1 TYR A 23 26.451 10.178 -9.295 1.00 11.27 C -ATOM 388 CE2 TYR A 23 24.587 11.603 -8.518 1.00 11.73 C -ATOM 389 CZ TYR A 23 25.294 10.925 -9.501 1.00 11.91 C -ATOM 390 OH TYR A 23 24.839 11.085 -10.793 1.00 14.10 O -ATOM 391 H TYR A 23 27.210 9.753 -3.004 1.00 7.41 H -ATOM 392 HA TYR A 23 24.818 10.226 -4.744 1.00 8.02 H -ATOM 393 HB2 TYR A 23 26.593 11.519 -5.121 1.00 9.84 H -ATOM 394 HB3 TYR A 23 27.819 10.292 -5.414 1.00 9.27 H -ATOM 395 HD1 TYR A 23 27.785 9.438 -7.850 1.00 10.63 H -ATOM 396 HD2 TYR A 23 24.614 11.894 -6.350 1.00 10.81 H -ATOM 397 HE1 TYR A 23 26.909 9.696 -10.142 1.00 11.58 H -ATOM 398 HE2 TYR A 23 23.716 12.164 -8.754 1.00 11.77 H -ATOM 399 DH TYR A 23 24.638 12.063 -10.743 1.00 14.22 D -ATOM 400 N ASN A 24 24.618 7.831 -5.550 1.00 7.53 N -ATOM 401 CA ASN A 24 24.473 6.511 -6.126 1.00 8.25 C -ATOM 402 C ASN A 24 24.533 6.730 -7.657 1.00 9.26 C -ATOM 403 O ASN A 24 23.605 7.147 -8.338 1.00 9.06 O -ATOM 404 CB ASN A 24 23.099 5.973 -5.764 1.00 9.60 C -ATOM 405 CG ASN A 24 22.895 4.611 -6.330 1.00 10.11 C -ATOM 406 OD1 ASN A 24 23.537 4.204 -7.313 1.00 13.10 O -ATOM 407 ND2 ASN A 24 21.966 3.903 -5.800 1.00 12.51 N -ATOM 408 H ASN A 24 23.768 8.406 -5.560 1.00 7.95 H -ATOM 409 HA ASN A 24 25.252 5.817 -5.749 1.00 7.93 H -ATOM 410 HB2 ASN A 24 23.193 5.827 -4.660 1.00 8.09 H -ATOM 411 HB3 ASN A 24 22.291 6.679 -5.844 1.00 9.60 H -ATOM 412 DD21 ASN A 24 21.767 2.914 -6.106 1.00 12.19 D -ATOM 413 DD22 ASN A 24 21.419 4.231 -5.010 1.00 11.93 D -ATOM 414 N ALA A 25 25.690 6.499 -8.244 1.00 10.90 N -ATOM 415 CA ALA A 25 25.937 6.771 -9.710 1.00 12.18 C -ATOM 416 C ALA A 25 25.108 5.883 -10.665 1.00 11.03 C -ATOM 417 O ALA A 25 24.972 6.315 -11.816 1.00 12.22 O -ATOM 418 CB ALA A 25 27.438 6.846 -9.903 1.00 11.38 C -ATOM 419 D ALA A 25 26.523 6.274 -7.738 1.00 10.47 D -ATOM 420 HA ALA A 25 25.558 7.786 -9.716 1.00 11.28 H -ATOM 421 HB1 ALA A 25 28.036 7.257 -9.107 1.00 12.88 H -ATOM 422 HB2 ALA A 25 27.681 5.764 -9.848 1.00 12.72 H -ATOM 423 HB3 ALA A 25 27.740 7.086 -10.895 1.00 12.70 H -ATOM 424 N LYS A 26 24.672 4.739 -10.226 1.00 10.74 N -ATOM 425 CA LYS A 26 23.844 3.843 -10.944 1.00 13.89 C -ATOM 426 C LYS A 26 22.458 4.414 -11.053 1.00 13.64 C -ATOM 427 O LYS A 26 21.776 4.419 -12.113 1.00 15.07 O -ATOM 428 CB LYS A 26 23.873 2.469 -10.338 1.00 18.92 C -ATOM 429 CG LYS A 26 22.897 1.688 -11.164 1.00 23.44 C -ATOM 430 CD LYS A 26 23.134 0.220 -10.987 1.00 28.41 C -ATOM 431 CE LYS A 26 21.883 -0.282 -11.734 1.00 33.13 C -ATOM 432 NZ LYS A 26 21.699 -1.653 -11.140 1.00 36.26 N -ATOM 433 D LYS A 26 24.811 4.482 -9.301 1.00 12.45 D -ATOM 434 HA LYS A 26 24.244 3.768 -11.951 1.00 13.36 H -ATOM 435 HB2 LYS A 26 24.904 2.072 -10.313 1.00 18.73 H -ATOM 436 HB3 LYS A 26 23.584 2.461 -9.286 1.00 18.71 H -ATOM 437 HG2 LYS A 26 21.821 1.865 -11.054 1.00 23.71 H -ATOM 438 HG3 LYS A 26 23.032 1.822 -12.264 1.00 23.90 H -ATOM 439 HD2 LYS A 26 23.995 -0.194 -11.474 1.00 28.42 H -ATOM 440 HD3 LYS A 26 23.120 -0.106 -9.964 1.00 28.28 H -ATOM 441 HE2 LYS A 26 21.046 0.350 -11.524 1.00 32.48 H -ATOM 442 HE3 LYS A 26 22.160 -0.402 -12.753 1.00 32.27 H -ATOM 443 DZ1 LYS A 26 21.593 -1.586 -10.094 1.00 36.90 D -ATOM 444 DZ2 LYS A 26 20.761 -1.979 -11.479 1.00 37.12 D -ATOM 445 DZ3 LYS A 26 22.527 -2.262 -11.359 1.00 36.55 D -ATOM 446 N ALA A 27 21.931 5.074 -10.038 1.00 13.18 N -ATOM 447 CA ALA A 27 20.576 5.701 -10.043 1.00 11.76 C -ATOM 448 C ALA A 27 20.606 7.178 -10.432 1.00 10.74 C -ATOM 449 O ALA A 27 19.595 7.768 -10.820 1.00 11.30 O -ATOM 450 CB ALA A 27 20.054 5.625 -8.612 1.00 12.78 C -ATOM 451 D ALA A 27 22.488 5.076 -9.180 1.00 15.23 D -ATOM 452 HA ALA A 27 20.090 5.015 -10.727 1.00 12.71 H -ATOM 453 HB1 ALA A 27 20.772 6.088 -7.962 1.00 11.38 H -ATOM 454 HB2 ALA A 27 19.100 6.124 -8.555 1.00 11.24 H -ATOM 455 HB3 ALA A 27 20.011 4.596 -8.261 1.00 11.11 H -ATOM 456 N GLY A 28 21.752 7.848 -10.373 1.00 9.60 N -ATOM 457 CA GLY A 28 21.970 9.249 -10.618 1.00 10.58 C -ATOM 458 C GLY A 28 21.292 10.175 -9.591 1.00 11.69 C -ATOM 459 O GLY A 28 20.947 11.316 -9.904 1.00 12.66 O -ATOM 460 D GLY A 28 22.531 7.298 -10.049 1.00 11.71 D -ATOM 461 HA2 GLY A 28 22.992 9.579 -10.730 1.00 10.85 H -ATOM 462 HA3 GLY A 28 21.483 9.541 -11.578 1.00 10.66 H -ATOM 463 N LEU A 29 21.201 9.723 -8.370 1.00 11.42 N -ATOM 464 CA LEU A 29 20.589 10.458 -7.271 1.00 13.44 C -ATOM 465 C LEU A 29 21.437 10.194 -6.009 1.00 10.49 C -ATOM 466 O LEU A 29 22.077 9.168 -5.914 1.00 11.18 O -ATOM 467 CB LEU A 29 19.233 9.682 -6.932 1.00 15.84 C -ATOM 468 CG LEU A 29 18.126 9.639 -7.924 1.00 17.24 C -ATOM 469 CD1 LEU A 29 16.897 8.857 -7.584 1.00 18.29 C -ATOM 470 CD2 LEU A 29 17.548 11.015 -8.232 1.00 18.39 C -ATOM 471 D LEU A 29 21.510 8.788 -8.071 1.00 11.84 D -ATOM 472 HA LEU A 29 20.311 11.468 -7.252 1.00 13.35 H -ATOM 473 HB2 LEU A 29 19.436 8.685 -6.548 1.00 15.95 H -ATOM 474 HB3 LEU A 29 18.858 10.134 -5.977 1.00 15.40 H -ATOM 475 HG LEU A 29 18.531 9.305 -8.886 1.00 17.16 H -ATOM 476 HD11 LEU A 29 16.985 7.826 -7.316 1.00 17.17 H -ATOM 477 HD12 LEU A 29 16.567 9.316 -6.642 1.00 17.13 H -ATOM 478 HD13 LEU A 29 16.204 9.016 -8.386 1.00 17.35 H -ATOM 479 HD21 LEU A 29 18.381 11.675 -8.464 1.00 17.08 H -ATOM 480 HD22 LEU A 29 16.837 10.957 -9.047 1.00 17.51 H -ATOM 481 HD23 LEU A 29 17.112 11.417 -7.289 1.00 16.97 H -ATOM 482 N CYS A 30 21.289 11.133 -5.121 1.00 10.45 N -ATOM 483 CA CYS A 30 21.875 11.033 -3.734 1.00 10.30 C -ATOM 484 C CYS A 30 20.869 10.289 -2.850 1.00 10.76 C -ATOM 485 O CYS A 30 19.639 10.651 -2.961 1.00 12.39 O -ATOM 486 CB CYS A 30 22.103 12.439 -3.217 1.00 10.60 C -ATOM 487 SG CYS A 30 23.486 13.149 -4.087 1.00 11.79 S -ATOM 488 D CYS A 30 20.752 11.960 -5.175 1.00 11.99 D -ATOM 489 HA CYS A 30 22.835 10.632 -3.940 1.00 10.70 H -ATOM 490 HB2 CYS A 30 21.141 12.922 -3.348 1.00 11.15 H -ATOM 491 HB3 CYS A 30 22.434 12.440 -2.188 1.00 10.30 H -ATOM 492 N GLN A 31 21.336 9.324 -2.086 1.00 8.79 N -ATOM 493 CA GLN A 31 20.508 8.474 -1.259 1.00 10.62 C -ATOM 494 C GLN A 31 21.184 8.402 0.118 1.00 10.68 C -ATOM 495 O GLN A 31 22.328 8.784 0.291 1.00 10.44 O -ATOM 496 CB GLN A 31 20.354 7.087 -1.858 1.00 11.67 C -ATOM 497 CG GLN A 31 19.623 7.119 -3.183 1.00 13.65 C -ATOM 498 CD GLN A 31 19.594 5.767 -3.853 1.00 14.34 C -ATOM 499 OE1 GLN A 31 20.395 4.867 -3.653 1.00 15.59 O -ATOM 500 NE2 GLN A 31 18.531 5.618 -4.678 1.00 18.68 N -ATOM 501 H GLN A 31 22.343 9.128 -2.125 1.00 11.77 H -ATOM 502 HA GLN A 31 19.517 8.874 -1.128 1.00 10.53 H -ATOM 503 HB2 GLN A 31 21.356 6.648 -2.002 1.00 13.07 H -ATOM 504 HB3 GLN A 31 19.931 6.372 -1.113 1.00 11.96 H -ATOM 505 HG2 GLN A 31 18.690 7.661 -3.311 1.00 12.84 H -ATOM 506 HG3 GLN A 31 20.219 7.714 -3.916 1.00 11.88 H -ATOM 507 DE21 GLN A 31 18.411 4.689 -5.135 1.00 15.66 D -ATOM 508 DE22 GLN A 31 17.891 6.434 -4.778 1.00 15.36 D -ATOM 509 N THR A 32 20.404 7.934 1.103 1.00 11.66 N -ATOM 510 CA THR A 32 20.941 7.836 2.490 1.00 11.14 C -ATOM 511 C THR A 32 21.590 6.489 2.656 1.00 10.29 C -ATOM 512 O THR A 32 21.401 5.428 2.076 1.00 11.74 O -ATOM 513 CB THR A 32 19.849 8.116 3.568 1.00 11.90 C -ATOM 514 OG1 THR A 32 18.807 7.216 3.348 1.00 14.39 O -ATOM 515 CG2 THR A 32 19.240 9.473 3.369 1.00 13.60 C -ATOM 516 D THR A 32 19.456 7.621 0.938 1.00 10.82 D -ATOM 517 HA THR A 32 21.592 8.681 2.741 1.00 11.72 H -ATOM 518 HB THR A 32 20.326 8.080 4.568 1.00 13.24 H -ATOM 519 DG1 THR A 32 19.288 6.347 3.409 1.00 15.34 D -ATOM 520 HG21 THR A 32 18.775 9.734 2.409 1.00 12.24 H -ATOM 521 HG22 THR A 32 18.605 9.634 4.256 1.00 12.28 H -ATOM 522 HG23 THR A 32 19.988 10.264 3.585 1.00 13.01 H -ATOM 523 N PHE A 33 22.506 6.456 3.619 1.00 9.22 N -ATOM 524 CA PHE A 33 23.207 5.275 4.060 1.00 9.74 C -ATOM 525 C PHE A 33 23.550 5.541 5.559 1.00 9.40 C -ATOM 526 O PHE A 33 23.556 6.640 6.034 1.00 10.22 O -ATOM 527 CB PHE A 33 24.434 4.964 3.270 1.00 9.26 C -ATOM 528 CG PHE A 33 25.710 5.682 3.555 1.00 9.20 C -ATOM 529 CD1 PHE A 33 26.781 5.095 4.224 1.00 10.68 C -ATOM 530 CD2 PHE A 33 25.843 6.975 3.069 1.00 10.04 C -ATOM 531 CE1 PHE A 33 27.946 5.766 4.445 1.00 8.91 C -ATOM 532 CE2 PHE A 33 27.014 7.710 3.271 1.00 10.37 C -ATOM 533 CZ PHE A 33 28.008 7.053 3.984 1.00 9.71 C -ATOM 534 H PHE A 33 22.695 7.266 4.199 1.00 11.07 H -ATOM 535 HA PHE A 33 22.613 4.388 3.918 1.00 9.08 H -ATOM 536 HB2 PHE A 33 24.660 3.891 3.281 1.00 8.91 H -ATOM 537 HB3 PHE A 33 24.191 5.223 2.224 1.00 10.11 H -ATOM 538 HD1 PHE A 33 26.642 4.136 4.599 1.00 10.02 H -ATOM 539 HD2 PHE A 33 25.041 7.396 2.488 1.00 10.10 H -ATOM 540 HE1 PHE A 33 28.767 5.394 5.011 1.00 10.09 H -ATOM 541 HE2 PHE A 33 27.164 8.641 2.902 1.00 9.74 H -ATOM 542 HZ PHE A 33 28.943 7.600 4.146 1.00 9.76 H -ATOM 543 N VAL A 34 23.923 4.477 6.205 1.00 11.69 N -ATOM 544 CA VAL A 34 24.349 4.496 7.646 1.00 11.33 C -ATOM 545 C VAL A 34 25.894 4.524 7.711 1.00 10.54 C -ATOM 546 O VAL A 34 26.638 3.625 7.263 1.00 11.75 O -ATOM 547 CB VAL A 34 23.771 3.242 8.364 1.00 13.85 C -ATOM 548 CG1 VAL A 34 24.190 3.382 9.822 1.00 15.43 C -ATOM 549 CG2 VAL A 34 22.264 3.291 8.258 1.00 14.03 C -ATOM 550 D VAL A 34 23.874 3.555 5.766 1.00 10.86 D -ATOM 551 HA VAL A 34 23.896 5.373 8.063 1.00 13.01 H -ATOM 552 HB VAL A 34 24.145 2.394 7.767 1.00 14.28 H -ATOM 553 HG11 VAL A 34 25.215 3.495 10.080 1.00 14.34 H -ATOM 554 HG12 VAL A 34 23.715 4.342 10.087 1.00 14.17 H -ATOM 555 HG13 VAL A 34 23.671 2.771 10.508 1.00 14.55 H -ATOM 556 HG21 VAL A 34 21.923 3.399 7.220 1.00 13.82 H -ATOM 557 HG22 VAL A 34 21.859 2.299 8.478 1.00 13.92 H -ATOM 558 HG23 VAL A 34 21.693 4.035 8.788 1.00 14.12 H -ATOM 559 N TYR A 35 26.387 5.631 8.231 1.00 8.67 N -ATOM 560 CA TYR A 35 27.814 5.860 8.458 1.00 8.52 C -ATOM 561 C TYR A 35 28.085 5.455 9.938 1.00 9.39 C -ATOM 562 O TYR A 35 27.356 5.880 10.841 1.00 10.05 O -ATOM 563 CB TYR A 35 28.111 7.355 8.111 1.00 9.40 C -ATOM 564 CG TYR A 35 29.487 7.835 8.503 1.00 9.39 C -ATOM 565 CD1 TYR A 35 30.614 7.095 8.174 1.00 9.35 C -ATOM 566 CD2 TYR A 35 29.613 8.943 9.313 1.00 9.32 C -ATOM 567 CE1 TYR A 35 31.862 7.506 8.619 1.00 9.35 C -ATOM 568 CE2 TYR A 35 30.895 9.387 9.715 1.00 9.94 C -ATOM 569 CZ TYR A 35 31.977 8.641 9.373 1.00 10.13 C -ATOM 570 OH TYR A 35 33.198 9.064 9.803 1.00 11.76 O -ATOM 571 H TYR A 35 25.808 6.359 8.604 1.00 10.82 H -ATOM 572 HA TYR A 35 28.395 5.346 7.704 1.00 8.94 H -ATOM 573 HB2 TYR A 35 28.076 7.240 7.047 1.00 9.25 H -ATOM 574 HB3 TYR A 35 27.271 7.909 8.560 1.00 9.74 H -ATOM 575 HD1 TYR A 35 30.545 6.205 7.538 1.00 9.98 H -ATOM 576 HD2 TYR A 35 28.750 9.553 9.589 1.00 10.16 H -ATOM 577 HE1 TYR A 35 32.771 6.952 8.307 1.00 10.27 H -ATOM 578 HE2 TYR A 35 30.943 10.289 10.353 1.00 9.68 H -ATOM 579 DH TYR A 35 33.644 9.848 9.469 1.00 13.94 D -ATOM 580 N GLY A 36 29.181 4.741 10.152 1.00 9.59 N -ATOM 581 CA GLY A 36 29.544 4.252 11.487 1.00 9.91 C -ATOM 582 C GLY A 36 30.219 5.242 12.389 1.00 9.25 C -ATOM 583 O GLY A 36 30.414 4.897 13.554 1.00 9.95 O -ATOM 584 D GLY A 36 29.796 4.369 9.440 1.00 10.72 D -ATOM 585 HA2 GLY A 36 28.569 4.035 11.938 1.00 9.21 H -ATOM 586 HA3 GLY A 36 29.951 3.244 11.467 1.00 9.63 H -ATOM 587 N GLY A 37 30.587 6.373 11.911 1.00 8.45 N -ATOM 588 CA GLY A 37 31.172 7.377 12.736 1.00 10.39 C -ATOM 589 C GLY A 37 32.637 7.664 12.699 1.00 10.61 C -ATOM 590 O GLY A 37 33.098 8.624 13.380 1.00 13.37 O -ATOM 591 H GLY A 37 30.371 6.645 10.927 1.00 9.53 H -ATOM 592 HA2 GLY A 37 30.644 8.301 12.496 1.00 10.62 H -ATOM 593 HA3 GLY A 37 30.965 7.251 13.816 1.00 9.36 H -ATOM 594 N CYS A 38 33.387 6.871 11.999 1.00 10.95 N -ATOM 595 CA CYS A 38 34.813 7.212 11.868 1.00 11.65 C -ATOM 596 C CYS A 38 35.267 6.763 10.481 1.00 12.05 C -ATOM 597 O CYS A 38 34.729 5.808 9.860 1.00 11.60 O -ATOM 598 CB CYS A 38 35.702 6.466 12.895 1.00 12.40 C -ATOM 599 SG CYS A 38 35.719 4.684 12.827 1.00 12.21 S -ATOM 600 D CYS A 38 33.052 6.073 11.478 1.00 11.38 D -ATOM 601 HA CYS A 38 34.828 8.254 12.105 1.00 12.48 H -ATOM 602 HB2 CYS A 38 36.717 6.782 12.719 1.00 11.84 H -ATOM 603 HB3 CYS A 38 35.376 6.694 13.914 1.00 11.11 H -ATOM 604 N ARG A 39 36.341 7.375 10.042 1.00 12.46 N -ATOM 605 CA ARG A 39 37.025 7.056 8.805 1.00 14.63 C -ATOM 606 C ARG A 39 36.187 7.227 7.520 1.00 12.13 C -ATOM 607 O ARG A 39 36.332 6.391 6.640 1.00 13.93 O -ATOM 608 CB ARG A 39 37.538 5.625 8.866 1.00 18.16 C -ATOM 609 CG ARG A 39 38.516 5.562 10.066 1.00 22.63 C -ATOM 610 CD ARG A 39 39.107 4.166 10.098 1.00 26.10 C -ATOM 611 NE ARG A 39 39.805 4.035 11.371 1.00 30.83 N -ATOM 612 CZ ARG A 39 40.590 3.032 11.775 1.00 32.34 C -ATOM 613 NH1 ARG A 39 40.823 1.964 11.024 1.00 33.18 N -ATOM 614 NH2 ARG A 39 41.144 3.105 12.987 1.00 33.57 N -ATOM 615 D ARG A 39 36.670 8.142 10.540 1.00 12.82 D -ATOM 616 HA ARG A 39 37.858 7.741 8.595 1.00 13.15 H -ATOM 617 HB2 ARG A 39 36.821 4.846 9.058 1.00 18.94 H -ATOM 618 HB3 ARG A 39 38.127 5.322 8.011 1.00 18.72 H -ATOM 619 HG2 ARG A 39 39.277 6.303 10.090 1.00 22.77 H -ATOM 620 HG3 ARG A 39 38.016 5.637 10.981 1.00 22.29 H -ATOM 621 HD2 ARG A 39 38.282 3.473 10.078 1.00 26.48 H -ATOM 622 HD3 ARG A 39 39.633 4.052 9.207 1.00 26.96 H -ATOM 623 DE ARG A 39 39.685 4.801 12.039 1.00 31.59 D -ATOM 624 DH11 ARG A 39 40.376 1.948 10.092 1.00 32.83 D -ATOM 625 DH12 ARG A 39 41.429 1.235 11.413 1.00 32.46 D -ATOM 626 DH21 ARG A 39 41.037 3.833 13.662 1.00 33.14 D -ATOM 627 DH22 ARG A 39 41.738 2.325 13.284 1.00 33.33 D -ATOM 628 N ALA A 40 35.456 8.280 7.530 1.00 11.13 N -ATOM 629 CA ALA A 40 34.631 8.632 6.385 1.00 12.22 C -ATOM 630 C ALA A 40 35.497 8.734 5.135 1.00 13.37 C -ATOM 631 O ALA A 40 36.687 9.115 5.137 1.00 14.12 O -ATOM 632 CB ALA A 40 33.941 9.981 6.542 1.00 11.96 C -ATOM 633 D ALA A 40 35.340 8.972 8.208 1.00 12.73 D -ATOM 634 HA ALA A 40 33.879 7.870 6.308 1.00 12.14 H -ATOM 635 HB1 ALA A 40 34.528 10.829 6.846 1.00 12.60 H -ATOM 636 HB2 ALA A 40 33.456 10.198 5.563 1.00 12.13 H -ATOM 637 HB3 ALA A 40 33.155 9.774 7.271 1.00 11.94 H -ATOM 638 N LYS A 41 34.889 8.428 4.019 1.00 12.73 N -ATOM 639 CA LYS A 41 35.456 8.549 2.638 1.00 12.34 C -ATOM 640 C LYS A 41 34.782 9.775 2.026 1.00 11.42 C -ATOM 641 O LYS A 41 33.938 10.501 2.638 1.00 12.35 O -ATOM 642 CB LYS A 41 35.426 7.283 1.843 1.00 15.66 C -ATOM 643 CG LYS A 41 36.330 6.177 2.314 1.00 17.23 C -ATOM 644 CD LYS A 41 36.220 4.925 1.492 1.00 21.83 C -ATOM 645 CE LYS A 41 36.972 3.830 2.249 1.00 24.86 C -ATOM 646 NZ LYS A 41 38.430 4.086 2.238 1.00 26.80 N -ATOM 647 D LYS A 41 33.904 8.208 4.062 1.00 14.44 D -ATOM 648 HA LYS A 41 36.456 8.823 2.962 1.00 13.22 H -ATOM 649 HB2 LYS A 41 34.348 7.148 1.817 1.00 14.20 H -ATOM 650 HB3 LYS A 41 35.594 7.443 0.755 1.00 14.27 H -ATOM 651 HG2 LYS A 41 37.409 6.485 2.376 1.00 18.75 H -ATOM 652 HG3 LYS A 41 36.049 5.955 3.369 1.00 17.95 H -ATOM 653 HD2 LYS A 41 35.216 4.451 1.494 1.00 20.99 H -ATOM 654 HD3 LYS A 41 36.531 4.849 0.453 1.00 21.24 H -ATOM 655 HE2 LYS A 41 36.740 3.973 3.315 1.00 24.44 H -ATOM 656 HE3 LYS A 41 36.742 2.821 1.974 1.00 24.67 H -ATOM 657 DZ1 LYS A 41 38.697 5.072 2.091 1.00 27.28 D -ATOM 658 DZ2 LYS A 41 38.774 3.778 3.195 1.00 28.13 D -ATOM 659 DZ3 LYS A 41 38.960 3.393 1.688 1.00 27.94 D -ATOM 660 N ARG A 42 35.115 10.128 0.777 1.00 9.56 N -ATOM 661 CA ARG A 42 34.659 11.372 0.167 1.00 9.93 C -ATOM 662 C ARG A 42 33.178 11.332 -0.259 1.00 7.40 C -ATOM 663 O ARG A 42 32.599 12.401 -0.162 1.00 9.71 O -ATOM 664 CB ARG A 42 35.554 11.797 -0.960 1.00 10.35 C -ATOM 665 CG ARG A 42 36.918 12.265 -0.568 1.00 13.91 C -ATOM 666 CD ARG A 42 37.957 12.565 -1.588 1.00 15.78 C -ATOM 667 NE ARG A 42 38.393 11.235 -1.972 1.00 21.96 N -ATOM 668 CZ ARG A 42 39.092 10.993 -3.114 1.00 24.68 C -ATOM 669 NH1 ARG A 42 39.486 11.979 -3.942 1.00 25.19 N -ATOM 670 NH2 ARG A 42 39.446 9.734 -3.428 1.00 26.22 N -ATOM 671 D ARG A 42 35.813 9.575 0.318 1.00 11.76 D -ATOM 672 HA ARG A 42 34.712 12.168 0.950 1.00 8.89 H -ATOM 673 HB2 ARG A 42 35.629 10.967 -1.690 1.00 11.16 H -ATOM 674 HB3 ARG A 42 35.017 12.458 -1.640 1.00 11.51 H -ATOM 675 HG2 ARG A 42 36.981 13.025 0.221 1.00 12.33 H -ATOM 676 HG3 ARG A 42 37.355 11.538 0.099 1.00 11.94 H -ATOM 677 HD2 ARG A 42 37.373 13.009 -2.423 1.00 17.32 H -ATOM 678 HD3 ARG A 42 38.645 13.283 -1.256 1.00 17.71 H -ATOM 679 DE ARG A 42 38.164 10.450 -1.415 1.00 22.92 D -ATOM 680 DH11 ARG A 42 40.007 11.665 -4.784 1.00 24.97 D -ATOM 681 DH12 ARG A 42 39.258 12.965 -3.814 1.00 24.43 D -ATOM 682 DH21 ARG A 42 39.244 8.893 -2.906 1.00 25.17 D -ATOM 683 DH22 ARG A 42 39.963 9.580 -4.300 1.00 25.13 D -ATOM 684 N ASN A 43 32.662 10.208 -0.618 1.00 7.80 N -ATOM 685 CA ASN A 43 31.235 10.157 -1.075 1.00 7.75 C -ATOM 686 C ASN A 43 30.363 9.898 0.175 1.00 7.34 C -ATOM 687 O ASN A 43 29.830 8.807 0.431 1.00 7.64 O -ATOM 688 CB ASN A 43 31.158 9.006 -2.072 1.00 8.94 C -ATOM 689 CG ASN A 43 29.799 9.033 -2.770 1.00 8.97 C -ATOM 690 OD1 ASN A 43 29.002 9.968 -2.653 1.00 9.17 O -ATOM 691 ND2 ASN A 43 29.533 8.007 -3.503 1.00 10.14 N -ATOM 692 D ASN A 43 33.214 9.377 -0.662 1.00 8.50 D -ATOM 693 HA ASN A 43 31.097 11.126 -1.506 1.00 9.50 H -ATOM 694 HB2 ASN A 43 31.986 9.096 -2.796 1.00 7.95 H -ATOM 695 HB3 ASN A 43 31.442 8.069 -1.533 1.00 8.39 H -ATOM 696 DD21 ASN A 43 30.286 7.249 -3.480 1.00 13.15 D -ATOM 697 DD22 ASN A 43 28.694 7.778 -4.043 1.00 12.66 D -ATOM 698 N ASN A 44 30.329 10.926 0.929 1.00 7.27 N -ATOM 699 CA ASN A 44 29.680 10.998 2.281 1.00 8.28 C -ATOM 700 C ASN A 44 29.441 12.481 2.513 1.00 7.79 C -ATOM 701 O ASN A 44 30.374 13.253 2.640 1.00 9.89 O -ATOM 702 CB ASN A 44 30.579 10.298 3.287 1.00 9.05 C -ATOM 703 CG ASN A 44 30.097 10.342 4.770 1.00 10.15 C -ATOM 704 OD1 ASN A 44 29.353 11.223 5.157 1.00 11.10 O -ATOM 705 ND2 ASN A 44 30.593 9.396 5.525 1.00 10.18 N -ATOM 706 D ASN A 44 30.784 11.813 0.848 1.00 8.27 D -ATOM 707 HA ASN A 44 28.831 10.413 2.219 1.00 7.51 H -ATOM 708 HB2 ASN A 44 30.842 9.286 3.128 1.00 10.20 H -ATOM 709 HB3 ASN A 44 31.523 10.823 3.352 1.00 9.86 H -ATOM 710 DD21 ASN A 44 30.296 9.403 6.524 1.00 11.65 D -ATOM 711 DD22 ASN A 44 31.216 8.687 5.150 1.00 9.99 D -ATOM 712 N PHE A 45 28.153 12.815 2.580 1.00 7.78 N -ATOM 713 CA PHE A 45 27.732 14.188 2.696 1.00 9.51 C -ATOM 714 C PHE A 45 26.649 14.315 3.805 1.00 10.10 C -ATOM 715 O PHE A 45 25.856 13.419 4.021 1.00 9.63 O -ATOM 716 CB PHE A 45 27.054 14.595 1.345 1.00 11.02 C -ATOM 717 CG PHE A 45 27.916 14.462 0.140 1.00 10.38 C -ATOM 718 CD1 PHE A 45 27.953 13.294 -0.602 1.00 11.42 C -ATOM 719 CD2 PHE A 45 28.752 15.525 -0.138 1.00 11.42 C -ATOM 720 CE1 PHE A 45 28.783 13.173 -1.704 1.00 10.82 C -ATOM 721 CE2 PHE A 45 29.615 15.424 -1.250 1.00 11.73 C -ATOM 722 CZ PHE A 45 29.599 14.241 -1.990 1.00 11.68 C -ATOM 723 H PHE A 45 27.398 12.157 2.411 1.00 9.18 H -ATOM 724 HA PHE A 45 28.527 14.889 2.741 1.00 10.24 H -ATOM 725 HB2 PHE A 45 26.350 13.759 1.326 1.00 9.92 H -ATOM 726 HB3 PHE A 45 26.487 15.501 1.444 1.00 10.03 H -ATOM 727 HD1 PHE A 45 27.341 12.513 -0.316 1.00 11.59 H -ATOM 728 HD2 PHE A 45 28.699 16.440 0.415 1.00 11.56 H -ATOM 729 HE1 PHE A 45 28.840 12.308 -2.293 1.00 11.54 H -ATOM 730 HE2 PHE A 45 30.188 16.207 -1.556 1.00 11.41 H -ATOM 731 HZ PHE A 45 30.224 14.157 -2.851 1.00 10.58 H -ATOM 732 N LYS A 46 26.654 15.523 4.326 1.00 13.15 N -ATOM 733 CA LYS A 46 25.670 15.810 5.399 1.00 15.31 C -ATOM 734 C LYS A 46 24.360 16.291 4.876 1.00 14.98 C -ATOM 735 O LYS A 46 23.386 16.226 5.649 1.00 16.56 O -ATOM 736 CB LYS A 46 26.188 16.720 6.512 1.00 17.44 C -ATOM 737 CG LYS A 46 27.318 16.084 7.335 1.00 19.58 C -ATOM 738 CD LYS A 46 27.843 17.081 8.391 1.00 22.85 C -ATOM 739 CE LYS A 46 29.236 16.576 8.669 1.00 24.99 C -ATOM 740 NZ LYS A 46 29.962 17.327 9.705 1.00 27.16 N -ATOM 741 D LYS A 46 27.344 16.221 4.047 1.00 11.41 D -ATOM 742 HA LYS A 46 25.458 14.851 5.822 1.00 14.17 H -ATOM 743 HB2 LYS A 46 26.587 17.609 5.990 1.00 17.47 H -ATOM 744 HB3 LYS A 46 25.404 16.946 7.222 1.00 17.90 H -ATOM 745 HG2 LYS A 46 27.027 15.200 7.891 1.00 20.31 H -ATOM 746 HG3 LYS A 46 28.203 15.916 6.737 1.00 20.28 H -ATOM 747 HD2 LYS A 46 28.122 17.991 7.798 1.00 22.17 H -ATOM 748 HD3 LYS A 46 27.135 17.420 9.101 1.00 22.77 H -ATOM 749 HE2 LYS A 46 29.175 15.510 8.907 1.00 24.93 H -ATOM 750 HE3 LYS A 46 29.805 16.640 7.728 1.00 25.66 H -ATOM 751 DZ1 LYS A 46 29.318 17.242 10.520 1.00 26.85 D -ATOM 752 DZ2 LYS A 46 30.949 17.000 9.856 1.00 27.02 D -ATOM 753 DZ3 LYS A 46 30.127 18.313 9.416 1.00 27.47 D -ATOM 754 N SER A 47 24.337 16.734 3.622 1.00 15.47 N -ATOM 755 CA SER A 47 23.068 17.191 3.061 1.00 15.09 C -ATOM 756 C SER A 47 22.980 16.742 1.594 1.00 14.56 C -ATOM 757 O SER A 47 24.015 16.567 0.916 1.00 13.03 O -ATOM 758 CB SER A 47 22.880 18.711 3.060 1.00 15.63 C -ATOM 759 OG SER A 47 23.822 19.258 2.193 1.00 16.91 O -ATOM 760 D SER A 47 25.180 16.751 3.053 1.00 15.56 D -ATOM 761 HA SER A 47 22.206 16.804 3.574 1.00 15.83 H -ATOM 762 HB2 SER A 47 21.900 18.919 2.598 1.00 16.01 H -ATOM 763 HB3 SER A 47 22.965 19.264 4.004 1.00 15.86 H -ATOM 764 DG SER A 47 24.248 20.035 2.505 1.00 19.57 D -ATOM 765 N ALA A 48 21.747 16.565 1.233 1.00 14.50 N -ATOM 766 CA ALA A 48 21.452 16.202 -0.192 1.00 15.49 C -ATOM 767 C ALA A 48 21.889 17.264 -1.204 1.00 14.13 C -ATOM 768 O ALA A 48 22.320 16.959 -2.338 1.00 13.28 O -ATOM 769 CB ALA A 48 19.991 15.849 -0.356 1.00 16.34 C -ATOM 770 D ALA A 48 20.954 16.674 1.802 1.00 15.14 D -ATOM 771 HA ALA A 48 22.244 15.481 -0.310 1.00 14.31 H -ATOM 772 HB1 ALA A 48 19.319 16.642 -0.038 1.00 15.97 H -ATOM 773 HB2 ALA A 48 19.800 15.524 -1.385 1.00 16.04 H -ATOM 774 HB3 ALA A 48 19.794 14.988 0.281 1.00 16.24 H -ATOM 775 N GLU A 49 21.835 18.530 -0.819 1.00 14.30 N -ATOM 776 CA GLU A 49 22.235 19.620 -1.652 1.00 16.73 C -ATOM 777 C GLU A 49 23.740 19.554 -1.891 1.00 14.46 C -ATOM 778 O GLU A 49 24.137 19.730 -3.053 1.00 14.56 O -ATOM 779 CB GLU A 49 21.766 20.869 -0.865 1.00 21.56 C -ATOM 780 CG GLU A 49 20.367 20.737 -0.179 1.00 26.75 C -ATOM 781 CD GLU A 49 19.919 19.894 0.994 1.00 29.54 C -ATOM 782 OE1 GLU A 49 19.414 18.784 1.212 1.00 32.40 O -ATOM 783 OE2 GLU A 49 19.912 20.253 2.202 1.00 34.26 O -ATOM 784 D GLU A 49 21.514 18.770 0.081 1.00 15.94 D -ATOM 785 HA GLU A 49 21.885 19.789 -2.644 1.00 17.10 H -ATOM 786 HB2 GLU A 49 22.360 20.677 0.079 1.00 21.05 H -ATOM 787 HB3 GLU A 49 22.360 21.702 -1.159 1.00 21.64 H -ATOM 788 HG2 GLU A 49 20.001 21.722 0.047 1.00 26.97 H -ATOM 789 HG3 GLU A 49 19.803 20.281 -0.976 1.00 26.35 H -ATOM 790 N ASP A 50 24.537 19.331 -0.858 1.00 14.10 N -ATOM 791 CA ASP A 50 25.961 19.288 -1.082 1.00 13.93 C -ATOM 792 C ASP A 50 26.280 18.071 -1.961 1.00 11.78 C -ATOM 793 O ASP A 50 27.149 18.165 -2.795 1.00 12.10 O -ATOM 794 CB ASP A 50 26.695 18.778 0.111 1.00 18.61 C -ATOM 795 CG ASP A 50 27.499 19.674 0.972 1.00 25.48 C -ATOM 796 OD1 ASP A 50 26.759 20.572 1.375 1.00 29.01 O -ATOM 797 OD2 ASP A 50 28.655 19.195 1.020 1.00 27.88 O -ATOM 798 D ASP A 50 24.173 19.185 0.045 1.00 14.90 D -ATOM 799 HA ASP A 50 26.388 20.193 -1.435 1.00 14.65 H -ATOM 800 HB2 ASP A 50 26.126 18.142 0.783 1.00 18.57 H -ATOM 801 HB3 ASP A 50 27.390 17.949 -0.167 1.00 19.69 H -ATOM 802 N CYS A 51 25.605 16.956 -1.732 1.00 10.22 N -ATOM 803 CA CYS A 51 25.822 15.753 -2.493 1.00 10.57 C -ATOM 804 C CYS A 51 25.591 15.998 -3.994 1.00 11.23 C -ATOM 805 O CYS A 51 26.397 15.689 -4.871 1.00 11.33 O -ATOM 806 CB CYS A 51 24.941 14.644 -1.926 1.00 9.71 C -ATOM 807 SG CYS A 51 25.055 13.060 -2.815 1.00 10.82 S -ATOM 808 D CYS A 51 24.881 16.926 -1.041 1.00 11.98 D -ATOM 809 HA CYS A 51 26.840 15.447 -2.313 1.00 9.86 H -ATOM 810 HB2 CYS A 51 25.207 14.370 -0.935 1.00 9.50 H -ATOM 811 HB3 CYS A 51 23.907 14.950 -1.834 1.00 10.27 H -ATOM 812 N MET A 52 24.405 16.565 -4.212 1.00 12.19 N -ATOM 813 CA MET A 52 23.975 16.860 -5.592 1.00 15.04 C -ATOM 814 C MET A 52 24.865 17.909 -6.259 1.00 15.23 C -ATOM 815 O MET A 52 25.254 17.714 -7.432 1.00 16.42 O -ATOM 816 CB MET A 52 22.481 17.237 -5.692 1.00 16.60 C -ATOM 817 CG AMET A 52 21.619 16.002 -5.527 0.50 16.58 C -ATOM 818 CG BMET A 52 21.536 16.149 -5.278 0.50 19.07 C -ATOM 819 SD AMET A 52 21.684 14.673 -6.752 0.50 17.21 S -ATOM 820 SD BMET A 52 19.845 16.563 -5.694 0.50 21.60 S -ATOM 821 CE AMET A 52 20.896 15.481 -8.152 0.50 17.25 C -ATOM 822 CE BMET A 52 19.639 18.241 -5.038 0.50 20.98 C -ATOM 823 D MET A 52 23.741 16.776 -3.521 1.00 11.71 D -ATOM 824 HA MET A 52 24.027 15.986 -6.232 1.00 14.64 H -ATOM 825 HB2 MET A 52 22.275 18.123 -5.117 1.00 16.08 H -ATOM 826 HB3 MET A 52 22.460 17.461 -6.770 1.00 15.52 H -ATOM 827 HG2AMET A 52 22.023 15.418 -4.676 0.50 16.82 H -ATOM 828 HG2BMET A 52 21.648 15.214 -5.841 0.50 19.25 H -ATOM 829 HG3AMET A 52 20.574 16.201 -5.322 0.50 16.79 H -ATOM 830 HG3BMET A 52 21.552 15.928 -4.213 0.50 19.04 H -ATOM 831 HE1AMET A 52 21.506 16.358 -8.341 0.50 17.36 H -ATOM 832 HE1BMET A 52 20.257 18.263 -4.174 0.50 20.84 H -ATOM 833 HE2AMET A 52 21.243 14.908 -9.046 0.50 16.78 H -ATOM 834 HE2BMET A 52 20.012 18.845 -5.860 0.50 20.71 H -ATOM 835 HE3AMET A 52 19.853 15.441 -8.108 0.50 17.36 H -ATOM 836 HE3BMET A 52 18.576 18.325 -4.893 0.50 20.87 H -ATOM 837 N ARG A 53 25.206 18.931 -5.556 1.00 17.25 N -ATOM 838 CA ARG A 53 26.111 19.970 -6.044 1.00 19.58 C -ATOM 839 C ARG A 53 27.493 19.419 -6.400 1.00 19.14 C -ATOM 840 O ARG A 53 28.105 19.894 -7.379 1.00 18.79 O -ATOM 841 CB ARG A 53 26.365 20.989 -4.925 1.00 21.70 C -ATOM 842 CG ARG A 53 27.106 22.225 -5.375 1.00 24.59 C -ATOM 843 CD ARG A 53 26.494 23.431 -4.716 1.00 26.49 C -ATOM 844 NE ARG A 53 26.503 23.143 -3.308 1.00 30.03 N -ATOM 845 CZ ARG A 53 25.536 23.635 -2.543 1.00 30.47 C -ATOM 846 NH1 ARG A 53 24.554 24.368 -3.034 1.00 31.82 N -ATOM 847 NH2 ARG A 53 25.533 23.348 -1.271 1.00 30.70 N -ATOM 848 D ARG A 53 24.877 19.095 -4.635 1.00 17.26 D -ATOM 849 HA ARG A 53 25.631 20.419 -6.896 1.00 19.36 H -ATOM 850 HB2 ARG A 53 25.336 21.264 -4.675 1.00 21.99 H -ATOM 851 HB3 ARG A 53 26.827 20.450 -4.106 1.00 22.43 H -ATOM 852 HG2 ARG A 53 28.119 22.368 -5.525 1.00 24.05 H -ATOM 853 HG3 ARG A 53 26.672 22.362 -6.390 1.00 23.86 H -ATOM 854 HD2 ARG A 53 27.053 24.242 -5.072 1.00 27.41 H -ATOM 855 HD3 ARG A 53 25.499 23.574 -5.080 1.00 27.53 H -ATOM 856 DE ARG A 53 27.225 22.565 -2.844 1.00 30.30 D -ATOM 857 DH11 ARG A 53 23.854 24.661 -2.321 1.00 30.67 D -ATOM 858 DH12 ARG A 53 24.517 24.609 -4.036 1.00 30.96 D -ATOM 859 DH21 ARG A 53 26.264 22.781 -0.865 1.00 31.15 D -ATOM 860 DH22 ARG A 53 24.762 23.749 -0.724 1.00 31.05 D -ATOM 861 N THR A 54 28.014 18.446 -5.647 1.00 16.27 N -ATOM 862 CA THR A 54 29.317 17.889 -5.933 1.00 15.50 C -ATOM 863 C THR A 54 29.360 16.811 -7.019 1.00 14.44 C -ATOM 864 O THR A 54 30.323 16.753 -7.836 1.00 14.74 O -ATOM 865 CB THR A 54 29.884 17.308 -4.599 1.00 16.69 C -ATOM 866 OG1 THR A 54 29.915 18.356 -3.628 1.00 17.09 O -ATOM 867 CG2 THR A 54 31.252 16.617 -4.794 1.00 16.12 C -ATOM 868 D THR A 54 27.440 18.111 -4.892 1.00 18.36 D -ATOM 869 HA THR A 54 30.069 18.613 -6.258 1.00 15.14 H -ATOM 870 HB THR A 54 29.173 16.550 -4.194 1.00 16.74 H -ATOM 871 DG1 THR A 54 29.012 18.597 -3.318 1.00 16.70 D -ATOM 872 HG21 THR A 54 31.801 17.152 -5.610 1.00 17.37 H -ATOM 873 HG22 THR A 54 31.759 16.514 -3.853 1.00 17.09 H -ATOM 874 HG23 THR A 54 31.026 15.693 -5.309 1.00 17.52 H -ATOM 875 N CYS A 55 28.364 15.919 -6.980 1.00 12.64 N -ATOM 876 CA CYS A 55 28.337 14.779 -7.839 1.00 14.57 C -ATOM 877 C CYS A 55 27.258 14.663 -8.899 1.00 16.68 C -ATOM 878 O CYS A 55 27.484 13.831 -9.733 1.00 17.00 O -ATOM 879 CB CYS A 55 28.265 13.520 -6.968 1.00 13.88 C -ATOM 880 SG CYS A 55 29.664 13.161 -5.893 1.00 13.03 S -ATOM 881 D CYS A 55 27.614 15.974 -6.323 1.00 14.99 D -ATOM 882 HA CYS A 55 29.253 14.775 -8.417 1.00 14.34 H -ATOM 883 HB2 CYS A 55 27.388 13.519 -6.349 1.00 13.38 H -ATOM 884 HB3 CYS A 55 28.059 12.720 -7.695 1.00 13.88 H -ATOM 885 N GLY A 56 26.248 15.435 -8.766 1.00 22.23 N -ATOM 886 CA GLY A 56 25.221 15.180 -9.791 1.00 26.06 C -ATOM 887 C GLY A 56 25.286 15.905 -11.139 1.00 29.57 C -ATOM 888 O GLY A 56 26.220 16.540 -11.584 1.00 31.26 O -ATOM 889 D GLY A 56 26.124 16.072 -8.024 1.00 18.76 D -ATOM 890 HA2 GLY A 56 25.526 14.160 -10.093 1.00 25.90 H -ATOM 891 HA3 GLY A 56 24.206 15.027 -9.457 1.00 26.16 H -ATOM 892 N GLY A 57 24.141 15.735 -11.766 1.00 36.75 N -ATOM 893 CA GLY A 57 23.532 16.179 -13.038 1.00 40.04 C -ATOM 894 C GLY A 57 21.982 15.948 -12.990 1.00 43.19 C -ATOM 895 O GLY A 57 21.139 16.112 -12.036 1.00 44.36 O -ATOM 896 D GLY A 57 23.416 15.164 -11.269 1.00 32.31 D -ATOM 897 HA2 GLY A 57 23.651 17.180 -13.336 1.00 40.07 H -ATOM 898 HA3 GLY A 57 23.890 15.539 -13.849 1.00 40.01 H -ATOM 899 N ALA A 58 21.533 15.450 -14.175 1.00 46.32 N -ATOM 900 CA ALA A 58 20.058 15.148 -14.143 1.00 46.11 C -ATOM 901 C ALA A 58 20.005 13.727 -14.727 1.00 47.14 C -ATOM 902 O ALA A 58 20.352 13.531 -15.922 1.00 47.19 O -ATOM 903 CB ALA A 58 19.337 16.385 -14.585 1.00 45.68 C -ATOM 904 OXT ALA A 58 19.665 12.821 -13.923 1.00 48.98 O -ATOM 905 D ALA A 58 22.084 15.237 -14.992 1.00 44.06 D -ATOM 906 HA ALA A 58 19.960 14.987 -13.050 1.00 46.35 H -ATOM 907 HB1 ALA A 58 19.978 17.245 -14.640 1.00 46.47 H -ATOM 908 HB2 ALA A 58 18.939 16.200 -15.586 1.00 46.26 H -ATOM 909 HB3 ALA A 58 18.454 16.576 -13.973 1.00 46.28 H -TER 910 ALA A 58 -HETATM 911 P PO4 A 70 32.672 12.772 10.325 0.65 25.52 P -HETATM 912 O1 PO4 A 70 33.530 14.005 10.556 0.65 26.69 O -HETATM 913 O2 PO4 A 70 31.499 12.810 11.272 0.65 25.31 O -HETATM 914 O3 PO4 A 70 32.136 12.729 8.909 0.65 24.51 O -HETATM 915 O4 PO4 A 70 33.561 11.570 10.555 0.65 23.64 O -HETATM 916 UNK UNX A 324 23.599 13.195 -7.043 1.00 45.42 X -HETATM 917 O DOD A 80 23.194 15.839 8.222 0.40 22.37 O -HETATM 918 D1 DOD A 80 23.286 16.842 8.165 0.40 22.61 D -HETATM 919 D2 DOD A 80 24.153 15.561 8.326 0.40 22.60 D -HETATM 920 O DOD A 101 22.510 21.082 -4.729 1.00 36.16 O -HETATM 921 D1 DOD A 101 21.831 21.235 -5.370 1.00 35.79 D -HETATM 922 D2 DOD A 101 23.104 20.367 -4.949 1.00 35.47 D -HETATM 923 O DOD A 102 32.400 2.989 17.428 0.80 18.44 O -HETATM 924 D1 DOD A 102 33.257 2.902 16.959 0.80 19.80 D -HETATM 925 D2 DOD A 102 32.345 2.270 18.071 0.80 19.39 D -HETATM 926 O DOD A 105 32.325 18.662 -7.849 1.00 32.19 O -HETATM 927 D1 DOD A 105 31.835 17.834 -8.008 1.00 30.47 D -HETATM 928 D2 DOD A 105 31.833 19.268 -8.402 1.00 30.09 D -HETATM 929 O DOD A 110 37.328 8.721 -0.765 0.85 24.80 O -HETATM 930 D1 DOD A 110 37.884 7.962 -0.994 0.85 28.72 D -HETATM 931 D2 DOD A 110 36.474 8.348 -1.051 0.85 28.38 D -HETATM 932 O DOD A 111 32.894 6.077 -0.473 1.00 17.11 O -HETATM 933 D1 DOD A 111 33.120 6.673 -1.189 1.00 17.18 D -HETATM 934 D2 DOD A 111 32.082 5.642 -0.714 1.00 18.37 D -HETATM 935 O DOD A 112 31.242 6.845 1.776 1.00 12.53 O -HETATM 936 D1 DOD A 112 31.797 6.338 1.211 1.00 12.31 D -HETATM 937 D2 DOD A 112 30.886 7.631 1.374 1.00 11.82 D -HETATM 938 O DOD A 113 32.081 7.266 4.248 1.00 10.62 O -HETATM 939 D1 DOD A 113 31.885 7.136 3.273 1.00 10.81 D -HETATM 940 D2 DOD A 113 31.780 6.400 4.490 1.00 10.32 D -HETATM 941 O DOD A 116 21.627 2.820 1.964 0.45 18.18 O -HETATM 942 D1 DOD A 116 22.311 2.168 1.795 0.45 15.16 D -HETATM 943 D2 DOD A 116 21.898 3.682 1.661 0.45 13.72 D -HETATM 944 O DOD A 117 23.450 1.914 4.826 0.85 21.21 O -HETATM 945 D1 DOD A 117 24.325 1.628 5.014 0.85 18.34 D -HETATM 946 D2 DOD A 117 22.978 2.382 5.498 0.85 16.27 D -HETATM 947 O DOD A 119 24.933 8.699 -12.566 1.00 26.51 O -HETATM 948 D1 DOD A 119 25.519 9.416 -12.334 1.00 24.40 D -HETATM 949 D2 DOD A 119 25.041 7.808 -12.205 1.00 23.04 D -HETATM 950 O DOD A 121 27.178 1.079 11.930 1.00 44.15 O -HETATM 951 D1 DOD A 121 27.529 1.514 12.731 1.00 41.94 D -HETATM 952 D2 DOD A 121 27.890 1.374 11.346 1.00 42.42 D -HETATM 953 O DOD A 122 32.824 4.006 10.705 1.00 11.08 O -HETATM 954 D1 DOD A 122 32.037 4.312 10.212 1.00 14.93 D -HETATM 955 D2 DOD A 122 33.527 4.614 10.375 1.00 12.63 D -HETATM 956 O DOD A 125 23.228 10.145 14.693 1.00 37.43 O -HETATM 957 D1 DOD A 125 23.474 11.090 14.612 1.00 38.73 D -HETATM 958 D2 DOD A 125 23.557 9.618 15.413 1.00 38.14 D -HETATM 959 O DOD A 126 21.709 13.163 -11.285 1.00 45.53 O -HETATM 960 D1 DOD A 126 21.371 12.655 -10.542 1.00 40.21 D -HETATM 961 D2 DOD A 126 22.643 12.914 -11.319 1.00 40.01 D -HETATM 962 O DOD A 127 25.304 13.841 10.064 1.00 31.39 O -HETATM 963 D1 DOD A 127 24.713 13.795 9.294 1.00 29.74 D -HETATM 964 D2 DOD A 127 24.901 13.162 10.650 1.00 30.13 D -HETATM 965 O DOD A 129 21.978 10.502 12.070 1.00 22.99 O -HETATM 966 D1 DOD A 129 21.026 10.401 12.238 1.00 21.72 D -HETATM 967 D2 DOD A 129 22.220 11.424 12.257 1.00 22.25 D -HETATM 968 O DOD A 133 37.476 9.724 11.502 0.75 22.01 O -HETATM 969 D1 DOD A 133 37.584 9.982 12.425 0.75 19.51 D -HETATM 970 D2 DOD A 133 36.539 9.976 11.345 0.75 19.51 D -HETATM 971 O DOD A 134 34.490 11.060 -13.079 0.70 44.32 O -HETATM 972 D1 DOD A 134 34.746 11.987 -12.978 0.70 42.77 D -HETATM 973 D2 DOD A 134 33.653 10.980 -12.612 0.70 42.52 D -HETATM 974 O DOD A 138 28.177 17.517 3.360 1.00 25.45 O -HETATM 975 D1 DOD A 138 27.742 18.283 3.058 1.00 23.32 D -HETATM 976 D2 DOD A 138 29.101 17.401 3.251 1.00 23.72 D -HETATM 977 O DOD A 140 30.541 15.267 12.774 1.00 36.43 O -HETATM 978 D1 DOD A 140 29.677 15.607 12.991 1.00 36.77 D -HETATM 979 D2 DOD A 140 31.088 15.976 12.426 1.00 36.78 D -HETATM 980 O DOD A 143 28.284 5.454 -6.397 1.00 27.22 O -HETATM 981 D1 DOD A 143 28.234 4.659 -5.833 1.00 32.37 D -HETATM 982 D2 DOD A 143 27.991 6.122 -5.773 1.00 31.67 D -HETATM 983 O DOD A 144 17.474 21.217 4.158 1.00 42.30 O -HETATM 984 D1 DOD A 144 18.268 20.904 3.726 1.00 40.47 D -HETATM 985 D2 DOD A 144 16.993 21.816 3.609 1.00 40.56 D -HETATM 986 O DOD A 145 38.592 14.977 -3.873 1.00 29.91 O -HETATM 987 D1 DOD A 145 37.993 15.743 -3.880 1.00 31.95 D -HETATM 988 D2 DOD A 145 38.520 14.611 -4.764 1.00 33.00 D -HETATM 989 O DOD A 146 39.369 6.894 -8.744 1.00 41.67 O -HETATM 990 D1 DOD A 146 39.454 6.652 -9.672 1.00 36.52 D -HETATM 991 D2 DOD A 146 40.233 6.697 -8.383 1.00 37.22 D -HETATM 992 O DOD A 156 30.562 -0.831 11.569 0.85 29.85 O -HETATM 993 D1 DOD A 156 30.253 0.047 11.849 0.85 31.06 D -HETATM 994 D2 DOD A 156 30.819 -0.652 10.650 0.85 30.89 D -HETATM 995 O DOD A 157 35.840 10.917 9.802 1.00 23.72 O -HETATM 996 D1 DOD A 157 35.118 11.562 9.768 1.00 25.45 D -HETATM 997 D2 DOD A 157 36.435 11.166 9.095 1.00 25.05 D -HETATM 998 O DOD A 158 32.417 -0.400 5.440 0.50 21.01 O -HETATM 999 D1 DOD A 158 33.309 -0.402 5.914 0.50 20.94 D -HETATM 1000 D2 DOD A 158 31.836 -0.783 6.158 0.50 20.72 D -HETATM 1001 O DOD A 159 30.427 -0.255 3.808 0.50 26.42 O -HETATM 1002 D1 DOD A 159 30.982 -0.258 2.963 0.50 26.94 D -HETATM 1003 D2 DOD A 159 31.146 -0.594 4.435 0.50 26.51 D -HETATM 1004 O DOD A 160 36.062 5.979 -8.634 1.00 41.31 O -HETATM 1005 D1 DOD A 160 35.305 6.506 -8.327 1.00 40.68 D -HETATM 1006 D2 DOD A 160 36.596 5.892 -7.843 1.00 40.44 D -HETATM 1007 O DOD A 200 19.702 17.251 3.159 1.00 19.29 O -HETATM 1008 D1 DOD A 200 18.842 16.821 3.395 1.00 20.94 D -HETATM 1009 D2 DOD A 200 20.251 16.690 3.724 1.00 21.48 D -HETATM 1010 O DOD A 201 38.290 5.419 5.139 0.45 14.23 O -HETATM 1011 D1 DOD A 201 38.695 6.270 5.301 0.45 11.92 D -HETATM 1012 D2 DOD A 201 38.934 4.728 5.353 0.45 12.39 D -HETATM 1013 O DOD A 202 20.841 18.058 5.892 1.00 42.73 O -HETATM 1014 D1 DOD A 202 20.670 18.727 5.224 1.00 41.57 D -HETATM 1015 D2 DOD A 202 20.910 17.173 5.525 1.00 41.34 D -HETATM 1016 O DOD A 203 35.858 -1.262 7.228 1.00 26.79 O -HETATM 1017 D1 DOD A 203 36.279 -0.389 7.191 1.00 24.31 D -HETATM 1018 D2 DOD A 203 36.182 -1.468 8.110 1.00 25.43 D -HETATM 1019 O DOD A 204 39.380 8.361 4.115 0.70 28.37 O -HETATM 1020 D1 DOD A 204 39.408 7.760 3.358 0.70 29.87 D -HETATM 1021 D2 DOD A 204 38.462 8.655 4.217 0.70 30.08 D -HETATM 1022 O DOD A 205 19.638 4.554 4.804 1.00 41.42 O -HETATM 1023 D1 DOD A 205 18.798 4.746 4.362 1.00 41.56 D -HETATM 1024 D2 DOD A 205 19.565 3.636 5.102 1.00 41.35 D -HETATM 1025 O DOD A 209 27.016 14.177 11.548 0.55 23.66 O -HETATM 1026 D1 DOD A 209 26.247 13.668 11.322 0.55 23.22 D -HETATM 1027 D2 DOD A 209 27.150 14.829 10.861 0.55 23.19 D -HETATM 1028 O DOD A 210 32.524 1.944 -8.668 0.55 28.00 O -HETATM 1029 D1 DOD A 210 32.097 1.168 -8.326 0.55 24.83 D -HETATM 1030 D2 DOD A 210 33.318 2.192 -8.183 0.55 24.43 D -HETATM 1031 O DOD A 211 30.420 20.407 -9.327 1.00 50.37 O -HETATM 1032 D1 DOD A 211 30.380 19.438 -9.416 1.00 50.49 D -HETATM 1033 D2 DOD A 211 29.504 20.587 -9.585 1.00 50.62 D -HETATM 1034 O DOD A 212 38.417 11.372 -7.271 1.00 37.18 O -HETATM 1035 D1 DOD A 212 38.648 12.325 -7.203 1.00 35.24 D -HETATM 1036 D2 DOD A 212 39.030 10.978 -6.635 1.00 35.81 D -HETATM 1037 O DOD A 214 15.928 7.068 -4.160 0.80 33.49 O -HETATM 1038 D1 DOD A 214 15.833 6.849 -5.089 0.80 30.73 D -HETATM 1039 D2 DOD A 214 15.838 7.998 -3.965 0.80 30.42 D -HETATM 1040 O DOD A 216 20.369 6.458 13.462 0.75 29.01 O -HETATM 1041 D1 DOD A 216 20.426 6.571 14.416 0.75 29.73 D -HETATM 1042 D2 DOD A 216 21.310 6.715 13.308 0.75 30.07 D -HETATM 1043 O DOD A 217 20.372 9.135 14.450 1.00 45.82 O -HETATM 1044 D1 DOD A 217 20.014 9.262 13.565 1.00 47.54 D -HETATM 1045 D2 DOD A 217 20.713 8.233 14.501 1.00 46.99 D -HETATM 1046 O DOD A 218 34.848 -2.506 13.144 0.60 23.45 O -HETATM 1047 D1 DOD A 218 35.761 -2.257 13.315 0.60 24.59 D -HETATM 1048 D2 DOD A 218 34.364 -1.952 13.777 0.60 23.86 D -HETATM 1049 O DOD A 219 18.689 3.099 -6.988 0.65 32.86 O -HETATM 1050 D1 DOD A 219 18.183 2.627 -6.333 0.65 31.27 D -HETATM 1051 D2 DOD A 219 19.292 2.483 -7.421 0.65 31.44 D -HETATM 1052 O DOD A 220 34.306 13.635 6.574 0.70 44.72 O -HETATM 1053 D1 DOD A 220 34.435 13.156 7.403 0.70 43.71 D -HETATM 1054 D2 DOD A 220 33.907 14.473 6.837 0.70 43.25 D -HETATM 1055 O DOD A 223 39.704 6.653 -0.920 0.70 27.12 O -HETATM 1056 D1 DOD A 223 39.839 5.695 -0.886 0.70 27.44 D -HETATM 1057 D2 DOD A 223 40.073 6.944 -0.069 0.70 26.30 D -HETATM 1058 O DOD A 225 35.835 1.799 -4.168 0.70 22.62 O -HETATM 1059 D1 DOD A 225 35.195 1.203 -4.651 0.70 21.80 D -HETATM 1060 D2 DOD A 225 35.838 1.670 -3.184 0.70 22.59 D -HETATM 1061 O DOD A 302 23.473 14.023 7.697 0.50 17.94 O -HETATM 1062 D1 DOD A 302 23.104 13.994 6.796 0.50 18.22 D -HETATM 1063 D2 DOD A 302 23.692 13.105 7.863 0.50 18.44 D -HETATM 1064 O DOD A 304 17.425 18.515 0.940 0.60 20.11 O -HETATM 1065 D1 DOD A 304 16.690 18.065 1.361 0.60 20.79 D -HETATM 1066 D2 DOD A 304 18.107 18.630 1.602 0.60 21.21 D -HETATM 1067 O DOD A 310 30.817 21.189 -4.297 0.75 33.44 O -HETATM 1068 D1 DOD A 310 31.670 21.225 -4.770 0.75 33.45 D -HETATM 1069 D2 DOD A 310 30.745 20.286 -3.971 0.75 33.90 D -HETATM 1070 O DOD A 311 29.101 21.433 -2.694 0.75 39.78 O -HETATM 1071 D1 DOD A 311 28.810 20.773 -3.335 0.75 40.82 D -HETATM 1072 D2 DOD A 311 29.404 20.908 -1.940 0.75 41.00 D -HETATM 1073 O DOD A 312 34.385 2.967 -0.675 0.75 49.17 O -HETATM 1074 D1 DOD A 312 33.896 2.264 -0.231 0.75 49.99 D -HETATM 1075 D2 DOD A 312 35.282 2.635 -0.820 0.75 50.11 D -HETATM 1076 O DOD A 313 22.760 12.894 9.757 0.75 34.76 O -HETATM 1077 D1 DOD A 313 23.725 12.886 9.820 0.75 32.32 D -HETATM 1078 D2 DOD A 313 22.695 12.328 8.975 0.75 32.33 D -HETATM 1079 O DOD A 314 29.184 16.951 -10.815 1.00 50.56 O -HETATM 1080 D1 DOD A 314 28.486 16.392 -11.157 1.00 49.79 D -HETATM 1081 D2 DOD A 314 29.843 17.006 -11.516 1.00 50.11 D -HETATM 1082 O DOD A 315 37.208 17.290 -2.722 0.75 35.00 O -HETATM 1083 D1 DOD A 315 36.748 17.851 -2.066 0.75 33.32 D -HETATM 1084 D2 DOD A 315 37.034 16.398 -2.381 0.75 33.28 D -HETATM 1085 O DOD A 316 39.924 5.096 15.153 0.75 91.84 O -HETATM 1086 D1 DOD A 316 40.240 5.673 15.857 0.75 91.50 D -HETATM 1087 D2 DOD A 316 39.075 4.751 15.456 0.75 91.50 D -HETATM 1088 O DOD A 317 24.792 1.584 -6.585 1.00 53.91 O -HETATM 1089 D1 DOD A 317 24.014 2.025 -6.941 1.00 52.72 D -HETATM 1090 D2 DOD A 317 25.404 2.307 -6.419 1.00 53.49 D -HETATM 1091 O DOD A 318 29.052 21.202 9.370 0.75 46.66 O -HETATM 1092 D1 DOD A 318 28.463 20.601 9.828 0.75 44.03 D -HETATM 1093 D2 DOD A 318 29.833 20.748 9.033 0.75 44.42 D -HETATM 1094 O DOD A 319 31.855 0.163 0.605 0.75 42.28 O -HETATM 1095 D1 DOD A 319 30.944 -0.153 0.702 0.75 40.63 D -HETATM 1096 D2 DOD A 319 31.809 1.074 0.885 0.75 40.72 D -HETATM 1097 O DOD A 320 17.490 9.671 -3.504 0.75 50.06 O -HETATM 1098 D1 DOD A 320 17.844 10.566 -3.494 0.75 49.93 D -HETATM 1099 D2 DOD A 320 16.796 9.717 -2.837 0.75 50.26 D -HETATM 1100 O DOD A 321 23.571 -0.806 13.870 0.50 28.53 O -HETATM 1101 D1 DOD A 321 24.067 -1.107 14.640 0.50 28.83 D -HETATM 1102 D2 DOD A 321 23.508 -1.626 13.366 0.50 27.58 D -HETATM 1103 O DOD A 322 30.284 21.588 -6.518 0.75 52.32 O -HETATM 1104 D1 DOD A 322 30.165 22.574 -6.795 0.75 50.92 D -HETATM 1105 D2 DOD A 322 29.362 21.275 -6.636 0.75 50.63 D -CONECT 78 880 -CONECT 215 599 -CONECT 487 807 -CONECT 599 215 -CONECT 807 487 -CONECT 880 78 -CONECT 911 912 913 914 915 -CONECT 912 911 -CONECT 913 911 -CONECT 914 911 -CONECT 915 911 -MASTER 308 2 2 2 3 0 3 6 1104 1 11 5 -END From 2c90336cf147effd34513853af6e2af4156fe9ce Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Mon, 29 Apr 2019 12:43:33 -0700 Subject: [PATCH 032/821] removes modifications to AtomCache again --- .../test/io/cif/CifFileSupplierImplTest.java | 15 +- .../nbio/structure/align/util/AtomCache.java | 156 +++++------------- 2 files changed, 44 insertions(+), 127 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java index b5ff9211b4..e52c98684a 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java @@ -11,6 +11,7 @@ import java.io.File; import java.io.FileWriter; import java.io.IOException; +import java.net.URL; import java.nio.file.Files; import java.util.Arrays; @@ -40,18 +41,8 @@ public void test1A2C() throws IOException, StructureException { } private static void testRoundTrip(String pdbId) throws IOException, StructureException { - AtomCache cache = new AtomCache(); - - StructureIO.setAtomCache(cache); - - cache.setUseCif(true); - - FileParsingParameters params = new FileParsingParameters(); - params.setAlignSeqRes(true); - cache.setFileParsingParams(params); - - assertTrue(StructureIO.getAtomCache().isUseCif()); - Structure originalStruct = StructureIO.getStructure(pdbId); + Structure originalStruct = CifFileConverter.convert(CifReader.readText(new URL("https://files.rcsb.org/download/" + pdbId + + ".cif").openStream())); File outputFile = File.createTempFile("biojava_testing_", ".cif"); outputFile.deleteOnExit(); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java index a5760fa6d6..6b9d7a9374 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java @@ -35,9 +35,12 @@ import org.biojava.nbio.structure.cath.CathFactory; import org.biojava.nbio.structure.domain.PDPProvider; import org.biojava.nbio.structure.domain.RemotePDPProvider; -import org.biojava.nbio.structure.io.*; +import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; +import org.biojava.nbio.structure.io.MMCIFFileReader; +import org.biojava.nbio.structure.io.MMTFFileReader; +import org.biojava.nbio.structure.io.PDBFileReader; import org.biojava.nbio.core.util.FileDownloadUtils; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; @@ -93,17 +96,8 @@ public class AtomCache { private String path; - /** - * The format for structure data to use. - */ - private Format format; - enum Format { - PDB, - MMCIF, - MMTF, - CIF, - BCIF - } + private boolean useMmCif; + private boolean useMmtf; /** * Default AtomCache constructor. @@ -156,7 +150,9 @@ public AtomCache(String pdbFilePath, String cachePath) { currentlyLoading.clear(); params = new FileParsingParameters(); + setUseMmCif(false); setUseMmtf(true); + } /** @@ -169,10 +165,11 @@ public AtomCache(UserConfiguration config) { this(config.getPdbFilePath(), config.getCacheFilePath()); fetchBehavior = config.getFetchBehavior(); obsoleteBehavior = config.getObsoleteBehavior(); + useMmCif = config.getFileFormat().equals( UserConfiguration.MMCIF_FORMAT ); + + if ( useMmCif) + useMmtf = false; - if (config.getFileFormat().equals(UserConfiguration.MMCIF_FORMAT)) { - format = Format.MMCIF; - } } /** @@ -300,7 +297,8 @@ public Structure getBiologicalAssembly(String pdbId, int bioAssemblyId, boolean // if we use mmcif or mmtf, then we need to pass useAsymIds=true boolean useAsymIds = false; - if (format != Format.PDB) useAsymIds = true; + if (useMmCif) useAsymIds = true; + if (useMmtf) useAsymIds = true; return builder.rebuildQuaternaryStructure(asymUnit, transformations, useAsymIds, multiModel); } @@ -358,7 +356,8 @@ public Structure getBiologicalAssembly(String pdbId, boolean multiModel) throws // if we use mmcif or mmtf, then we need to pass useAsymIds=true boolean useAsymIds = false; - if (format != Format.PDB) useAsymIds = true; + if (useMmCif) useAsymIds = true; + if (useMmtf) useAsymIds = true; return builder.rebuildQuaternaryStructure(asymUnit, transformations, useAsymIds, multiModel); } @@ -410,7 +409,8 @@ public List getBiologicalAssemblies(String pdbId, boolean multiModel) // if we use mmcif or mmtf, then we need to pass useAsymIds=true boolean useAsymIds = false; - if (format != Format.PDB) useAsymIds = true; + if (useMmCif) useAsymIds = true; + if (useMmtf) useAsymIds = true; Structure s = builder.rebuildQuaternaryStructure(asymUnit, transformations, useAsymIds, multiModel); assemblies.add(s); } @@ -606,7 +606,7 @@ public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatab } } boolean alreadyContains = newChain.getAtomGroups().contains(group); // we don't want to add duplicate - // ligands + // ligands if (shouldContain && !alreadyContains) { newChain.addGroup(group); @@ -772,7 +772,7 @@ public void setPdpprovider(PDPProvider pdpprovider) { * @return the useMmCif */ public boolean isUseMmCif() { - return format == Format.MMCIF; + return useMmCif; } /** @@ -780,9 +780,9 @@ public boolean isUseMmCif() { * the useMmCif to set */ public void setUseMmCif(boolean useMmCif) { - if (useMmCif) { - this.format = Format.MMCIF; - } + this.useMmCif = useMmCif; + // Either way the user wants to use PDB or MMCIF + this.useMmtf = false; } /** @@ -790,9 +790,11 @@ public void setUseMmCif(boolean useMmCif) { * @param useMmtf the input boolean to set */ public void setUseMmtf(boolean useMmtf) { - if (useMmtf) { - this.format = Format.MMTF; + this.useMmtf = useMmtf; + if(useMmtf){ + useMmCif=false; } + } /** Returns useMmtf flag @@ -800,61 +802,7 @@ public void setUseMmtf(boolean useMmtf) { * @return true if will load data via mmtf file format */ public boolean isUseMmtf(){ - return this.format == Format.MMTF; - } - - /** - * The PDB flag. - * @return true if legacy PDB parsing will be employed - */ - public boolean isUsePdb() { - return this.format == Format.PDB; - } - - /** - * The experimental Bcif flag. - * @return true if experimental Bcif parsing will be employed - */ - public boolean isUseBcif() { - return this.format == Format.BCIF; - } - - /** - * The experimental Cif flag. - * @return true if experimental Cif parsing will be employed - */ - public boolean isUseCif() { - return this.format == Format.CIF; - } - - /** - * Use the experimental Bcif parser to acquire structure data. - * @param useBcif use? - */ - public void setUseBcif(boolean useBcif) { - if (useBcif) { - this.format = Format.BCIF; - } - } - - /** - * Use the experimental Cif parser to acquire structure data. - * @param useCif use? - */ - public void setUseCif(boolean useCif) { - if (useCif) { - this.format = Format.CIF; - } - } - - /** - * Use the legacy PDB format to acquire structure data. - * @param usePdb use? - */ - public void usePdb(boolean usePdb) { - if (usePdb) { - this.format = Format.PDB; - } + return this.useMmtf; } private boolean checkLoading(String name) { @@ -933,25 +881,19 @@ public Structure getStructureForPdbId(String pdbId) throws IOException, Structur } - switch (format) { - case MMTF: - logger.debug("loading from mmtf"); - return loadStructureFromMmtfByPdbId(pdbId); - case MMCIF: - logger.debug("loading from mmcif"); - return loadStructureFromCifByPdbId(pdbId); - case CIF: - logger.debug("loading from experimental cif"); - return loadStructureFromExperimentalCifByPdbId(pdbId); - case PDB: - logger.debug("loading from pdb"); - return loadStructureFromPdbByPdbId(pdbId); - case BCIF: - logger.debug("loading from bcif"); - return loadStructureFromBcifByPdbId(pdbId); - default: - throw new IllegalArgumentException("no strategy implemented for format " + format); + Structure s; + if (useMmtf) { + logger.debug("loading from mmtf"); + s = loadStructureFromMmtfByPdbId(pdbId); + } + else if (useMmCif) { + logger.debug("loading from mmcif"); + s = loadStructureFromCifByPdbId(pdbId); + } else { + logger.debug("loading from pdb"); + s = loadStructureFromPdbByPdbId(pdbId); } + return s; } /** @@ -969,22 +911,6 @@ private Structure loadStructureFromMmtfByPdbId(String pdbId) throws IOException return structure; } - private Structure loadStructureFromBcifByPdbId(String pdbId) throws IOException { - logger.debug("Loading structure {} from Bcif file.", pdbId); - BcifFileReader reader = new BcifFileReader(); - reader.setFetchBehavior(fetchBehavior); - reader.setObsoleteBehavior(obsoleteBehavior); - return reader.getStructureById(pdbId.toLowerCase()); - } - - private Structure loadStructureFromExperimentalCifByPdbId(String pdbId) throws IOException { - logger.debug("Loading structure {} experimentally from Cif file.", pdbId); - CifFileReader reader = new CifFileReader(); - reader.setFetchBehavior(fetchBehavior); - reader.setObsoleteBehavior(obsoleteBehavior); - return reader.getStructureById(pdbId.toLowerCase()); - } - protected Structure loadStructureFromCifByPdbId(String pdbId) throws IOException, StructureException { logger.debug("Loading structure {} from mmCIF file {}.", pdbId, path); @@ -1025,4 +951,4 @@ protected Structure loadStructureFromPdbByPdbId(String pdbId) throws IOException return s; } -} +} \ No newline at end of file From 4824817d3130fa63e4eaece1ce8ad101cf5006f3 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Wed, 1 May 2019 16:15:05 -0700 Subject: [PATCH 033/821] updates to ciftools from maven --- .../test/io/cif/CifFileConsumerImplTest.java | 59 ++++++++-- .../test/io/cif/CifFileSupplierImplTest.java | 13 +-- biojava-structure/pom.xml | 2 +- .../structure/io/cif/CifFileConsumer.java | 46 +------- .../structure/io/cif/CifFileConsumerImpl.java | 109 +++++------------- .../structure/io/cif/CifFileSupplierImpl.java | 3 +- .../io/cif/CifFileConsumerImplTest.java | 15 ++- 7 files changed, 102 insertions(+), 145 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java index 33e4d0f9b7..4681f54eb2 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java @@ -2,26 +2,65 @@ import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.io.*; +import org.biojava.nbio.structure.io.cif.CifFileConverter; +import org.junit.Ignore; import org.junit.Test; import org.rcsb.cif.CifReader; -import org.rcsb.cif.model.CifFile; -import org.rcsb.cif.model.Column; -import org.rcsb.cif.model.ValueKind; -import java.io.ByteArrayInputStream; import java.io.IOException; import java.io.InputStream; -import java.text.ParseException; -import java.text.SimpleDateFormat; -import java.util.Date; +import java.nio.file.Files; +import java.nio.file.Paths; import java.util.List; -import java.util.Locale; -import java.util.Objects; -import java.util.zip.GZIPInputStream; +import java.util.concurrent.atomic.AtomicInteger; import static org.junit.Assert.*; public class CifFileConsumerImplTest { + @Test + public void test2z4j() { + + } + + @Test + @Ignore + public void parseEntireArchive() throws IOException { + AtomicInteger counter = new AtomicInteger(0); + AtomicInteger failed = new AtomicInteger(0); + long start = System.nanoTime(); + int chunkSize = 250; + + Files.walk(Paths.get( + // change to your own paths +// "/var/pdb/" // cif + "/var/bcif/" // bcif + )) + .parallel() + .filter(path -> !Files.isDirectory(path)) + .forEach(path -> { + int count = counter.incrementAndGet(); + if (count % chunkSize == 0) { + long end_chunk = System.nanoTime(); + System.out.println("[" + count + "] @ " + (((end_chunk - start) / + 1_000 / count) + " µs per structure")); + } + + try { + // the work is to obtain the CifFile instance and convert into a BioJava structure +// CifFileConverter.convert(CifReader.readText(Files.newInputStream(path))); // cif + CifFileConverter.convert(CifReader.readBinary(Files.newInputStream(path))); // bcif + } catch (Exception e) { + System.err.println("failed for " + path.toFile().getAbsolutePath()); + e.printStackTrace(); + failed.incrementAndGet(); + } + }); + + long end = System.nanoTime(); + System.out.println((end - start) / 1_000_000_000 + " s"); + System.out.println("failed for " + failed.intValue() + " structures"); + } + private static boolean headerOnly; private static boolean binary; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java index e52c98684a..06c04103ce 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java @@ -1,8 +1,6 @@ package org.biojava.nbio.structure.test.io.cif; import org.biojava.nbio.structure.*; -import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.cif.CifFileConverter; import org.junit.Test; import org.rcsb.cif.CifReader; @@ -15,11 +13,12 @@ import java.nio.file.Files; import java.util.Arrays; -import static org.junit.Assert.*; +import static org.junit.Assert.assertEquals; +import static org.junit.Assert.assertNotNull; public class CifFileSupplierImplTest { @Test - public void test1SMT() throws IOException, StructureException { + public void test1SMT() throws IOException { // an x-ray structure testRoundTrip("1SMT"); } @@ -29,18 +28,18 @@ public void test1SMT() throws IOException, StructureException { * @throws IOException propagated */ @Test - public void test2N3J() throws IOException, StructureException { + public void test2N3J() throws IOException { // an NMR structure (multimodel) with 2 chains testRoundTrip("2N3J"); } @Test - public void test1A2C() throws IOException, StructureException { + public void test1A2C() throws IOException { // a structure with insertion codes testRoundTrip("1A2C"); } - private static void testRoundTrip(String pdbId) throws IOException, StructureException { + private static void testRoundTrip(String pdbId) throws IOException { Structure originalStruct = CifFileConverter.convert(CifReader.readText(new URL("https://files.rcsb.org/download/" + pdbId + ".cif").openStream())); diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index a65c401069..26fbdec05d 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -21,7 +21,7 @@ org.rcsb ciftools-java - 1.0-SNAPSHOT + 0.3.0 org.rcsb diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java index ec3f7a2cf0..f052be13c5 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java @@ -1,50 +1,6 @@ package org.biojava.nbio.structure.io.cif; -import org.rcsb.cif.model.generated.atomsite.AtomSite; -import org.rcsb.cif.model.generated.atomsites.AtomSites; -import org.rcsb.cif.model.generated.auditauthor.AuditAuthor; -import org.rcsb.cif.model.generated.cell.Cell; -import org.rcsb.cif.model.generated.chemcomp.ChemComp; -import org.rcsb.cif.model.generated.chemcompbond.ChemCompBond; -import org.rcsb.cif.model.generated.databasepdbremark.DatabasePDBRemark; -import org.rcsb.cif.model.generated.databasepdbrev.DatabasePDBRev; -import org.rcsb.cif.model.generated.databasepdbrevrecord.DatabasePDBRevRecord; -import org.rcsb.cif.model.generated.entity.Entity; -import org.rcsb.cif.model.generated.entitypoly.EntityPoly; -import org.rcsb.cif.model.generated.entitypolyseq.EntityPolySeq; -import org.rcsb.cif.model.generated.entitysrcgen.EntitySrcGen; -import org.rcsb.cif.model.generated.entitysrcnat.EntitySrcNat; -import org.rcsb.cif.model.generated.exptl.Exptl; -import org.rcsb.cif.model.generated.pdbxauditrevisionhistory.PdbxAuditRevisionHistory; -import org.rcsb.cif.model.generated.pdbxchemcompidentifier.PdbxChemCompIdentifier; -import org.rcsb.cif.model.generated.pdbxdatabasestatus.PdbxDatabaseStatus; -import org.rcsb.cif.model.generated.pdbxentitydescriptor.PdbxEntityDescriptor; -import org.rcsb.cif.model.generated.pdbxentitysrcsyn.PdbxEntitySrcSyn; -import org.rcsb.cif.model.generated.pdbxmolecule.PdbxMolecule; -import org.rcsb.cif.model.generated.pdbxmoleculefeatures.PdbxMoleculeFeatures; -import org.rcsb.cif.model.generated.pdbxnonpolyscheme.PdbxNonpolyScheme; -import org.rcsb.cif.model.generated.pdbxreferenceentitylink.PdbxReferenceEntityLink; -import org.rcsb.cif.model.generated.pdbxreferenceentitylist.PdbxReferenceEntityList; -import org.rcsb.cif.model.generated.pdbxreferenceentitypolylink.PdbxReferenceEntityPolyLink; -import org.rcsb.cif.model.generated.pdbxstructassembly.PdbxStructAssembly; -import org.rcsb.cif.model.generated.pdbxstructassemblygen.PdbxStructAssemblyGen; -import org.rcsb.cif.model.generated.pdbxstructmodresidue.PdbxStructModResidue; -import org.rcsb.cif.model.generated.pdbxstructoperlist.PdbxStructOperList; -import org.rcsb.cif.model.generated.refine.Refine; -import org.rcsb.cif.model.generated.struct.Struct; -import org.rcsb.cif.model.generated.structasym.StructAsym; -import org.rcsb.cif.model.generated.structconf.StructConf; -import org.rcsb.cif.model.generated.structconn.StructConn; -import org.rcsb.cif.model.generated.structconntype.StructConnType; -import org.rcsb.cif.model.generated.structkeywords.StructKeywords; -import org.rcsb.cif.model.generated.structncsoper.StructNcsOper; -import org.rcsb.cif.model.generated.structref.StructRef; -import org.rcsb.cif.model.generated.structrefseq.StructRefSeq; -import org.rcsb.cif.model.generated.structrefseqdif.StructRefSeqDif; -import org.rcsb.cif.model.generated.structsheetrange.StructSheetRange; -import org.rcsb.cif.model.generated.structsite.StructSite; -import org.rcsb.cif.model.generated.structsitegen.StructSiteGen; -import org.rcsb.cif.model.generated.symmetry.Symmetry; +import org.rcsb.cif.model.generated.*; /** * Defines a rather generic interface which allows to populate some data structure with data parsed from a CIF file. diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 4752793c22..09161b74ee 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -12,59 +12,8 @@ import org.biojava.nbio.structure.xtal.CrystalCell; import org.biojava.nbio.structure.xtal.SpaceGroup; import org.biojava.nbio.structure.xtal.SymoplibParser; -import org.rcsb.cif.model.Category; -import org.rcsb.cif.model.Column; -import org.rcsb.cif.model.generated.atomsite.*; -import org.rcsb.cif.model.generated.atomsites.AtomSites; -import org.rcsb.cif.model.generated.auditauthor.AuditAuthor; -import org.rcsb.cif.model.generated.cell.Cell; -import org.rcsb.cif.model.generated.chemcomp.ChemComp; -import org.rcsb.cif.model.generated.chemcompbond.ChemCompBond; -import org.rcsb.cif.model.generated.databasepdbremark.DatabasePDBRemark; -import org.rcsb.cif.model.generated.databasepdbrev.DatabasePDBRev; -import org.rcsb.cif.model.generated.databasepdbrevrecord.DatabasePDBRevRecord; -import org.rcsb.cif.model.generated.entity.Entity; -import org.rcsb.cif.model.generated.entitypoly.EntityPoly; -import org.rcsb.cif.model.generated.entitypolyseq.EntityPolySeq; -import org.rcsb.cif.model.generated.entitysrcgen.EntitySrcGen; -import org.rcsb.cif.model.generated.entitysrcnat.EntitySrcNat; -import org.rcsb.cif.model.generated.exptl.Exptl; -import org.rcsb.cif.model.generated.pdbxauditrevisionhistory.PdbxAuditRevisionHistory; -import org.rcsb.cif.model.generated.pdbxchemcompidentifier.PdbxChemCompIdentifier; -import org.rcsb.cif.model.generated.pdbxdatabasestatus.PdbxDatabaseStatus; -import org.rcsb.cif.model.generated.pdbxdatabasestatus.RecvdInitialDepositionDate; -import org.rcsb.cif.model.generated.pdbxentitydescriptor.PdbxEntityDescriptor; -import org.rcsb.cif.model.generated.pdbxentitysrcsyn.PdbxEntitySrcSyn; -import org.rcsb.cif.model.generated.pdbxmolecule.PdbxMolecule; -import org.rcsb.cif.model.generated.pdbxmoleculefeatures.PdbxMoleculeFeatures; -import org.rcsb.cif.model.generated.pdbxnonpolyscheme.PdbxNonpolyScheme; -import org.rcsb.cif.model.generated.pdbxreferenceentitylink.PdbxReferenceEntityLink; -import org.rcsb.cif.model.generated.pdbxreferenceentitylist.PdbxReferenceEntityList; -import org.rcsb.cif.model.generated.pdbxreferenceentitypolylink.PdbxReferenceEntityPolyLink; -import org.rcsb.cif.model.generated.pdbxstructassembly.PdbxStructAssembly; -import org.rcsb.cif.model.generated.pdbxstructassemblygen.PdbxStructAssemblyGen; -import org.rcsb.cif.model.generated.pdbxstructmodresidue.PdbxStructModResidue; -import org.rcsb.cif.model.generated.pdbxstructoperlist.PdbxStructOperList; -import org.rcsb.cif.model.generated.refine.LsRFactorRFree; -import org.rcsb.cif.model.generated.refine.LsRFactorRWork; -import org.rcsb.cif.model.generated.refine.Refine; -import org.rcsb.cif.model.generated.struct.Struct; -import org.rcsb.cif.model.generated.structasym.StructAsym; -import org.rcsb.cif.model.generated.structconf.StructConf; -import org.rcsb.cif.model.generated.structconn.StructConn; -import org.rcsb.cif.model.generated.structconntype.StructConnType; -import org.rcsb.cif.model.generated.structkeywords.PdbxKeywords; -import org.rcsb.cif.model.generated.structkeywords.StructKeywords; -import org.rcsb.cif.model.generated.structncsoper.StructNcsOper; -import org.rcsb.cif.model.generated.structref.StructRef; -import org.rcsb.cif.model.generated.structrefseq.PdbxDbAlignBegInsCode; -import org.rcsb.cif.model.generated.structrefseq.PdbxDbAlignEndInsCode; -import org.rcsb.cif.model.generated.structrefseq.StructRefSeq; -import org.rcsb.cif.model.generated.structrefseqdif.StructRefSeqDif; -import org.rcsb.cif.model.generated.structsheetrange.StructSheetRange; -import org.rcsb.cif.model.generated.structsite.StructSite; -import org.rcsb.cif.model.generated.structsitegen.StructSiteGen; -import org.rcsb.cif.model.generated.symmetry.Symmetry; +import org.rcsb.cif.model.*; +import org.rcsb.cif.model.generated.*; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -145,30 +94,30 @@ public void consumeAtomSite(AtomSite atomSite) { return; } - LabelAsymId labelAsymId = atomSite.getLabelAsymId(); - AuthAsymId authAsymId = atomSite.getAuthAsymId(); + StrColumn labelAsymId = atomSite.getLabelAsymId(); + StrColumn authAsymId = atomSite.getAuthAsymId(); - GroupPDB groupPDB = atomSite.getGroupPDB(); - AuthSeqId authSeqId = atomSite.getAuthSeqId(); + StrColumn groupPDB = atomSite.getGroupPDB(); + IntColumn authSeqId = atomSite.getAuthSeqId(); - LabelCompId labelCompId = atomSite.getLabelCompId(); + StrColumn labelCompId = atomSite.getLabelCompId(); - Id id = atomSite.getId(); - LabelAtomId labelAtomId = atomSite.getLabelAtomId(); + IntColumn id = atomSite.getId(); + StrColumn labelAtomId = atomSite.getLabelAtomId(); - CartnX cartnX = atomSite.getCartnX(); - CartnY cartnY = atomSite.getCartnY(); - CartnZ cartnZ = atomSite.getCartnZ(); + FloatColumn cartnX = atomSite.getCartnX(); + FloatColumn cartnY = atomSite.getCartnY(); + FloatColumn cartnZ = atomSite.getCartnZ(); - Occupancy occupancy = atomSite.getOccupancy(); - BIsoOrEquiv bIsoOrEquiv = atomSite.getBIsoOrEquiv(); + FloatColumn occupancy = atomSite.getOccupancy(); + FloatColumn bIsoOrEquiv = atomSite.getBIsoOrEquiv(); - LabelAltId labelAltId = atomSite.getLabelAltId(); - TypeSymbol typeSymbol = atomSite.getTypeSymbol(); + StrColumn labelAltId = atomSite.getLabelAltId(); + StrColumn typeSymbol = atomSite.getTypeSymbol(); - PdbxPDBInsCode pdbxPDBInsCode = atomSite.getPdbxPDBInsCode(); - LabelSeqId labelSeqId = atomSite.getLabelSeqId(); - PdbxPDBModelNum pdbx_pdb_model_num = atomSite.getPdbxPDBModelNum(); + StrColumn pdbxPDBInsCode = atomSite.getPdbxPDBInsCode(); + IntColumn labelSeqId = atomSite.getLabelSeqId(); + IntColumn pdbx_pdb_model_num = atomSite.getPdbxPDBModelNum(); for (int atomIndex = 0; atomIndex < atomSite.getRowCount(); atomIndex++) { boolean startOfNewChain = false; @@ -726,6 +675,7 @@ public void consumePdbxAuditRevisionHistory(PdbxAuditRevisionHistory pdbxAuditRe if (pdbxAuditRevisionHistory.getOrdinal().get(rowIndex) == 1) { String release = pdbxAuditRevisionHistory.getRevisionDate().get(rowIndex); try { + // TODO java.lang.NumberFormatException: multiple points - failed for /var/bcif/z4/1z4s.bcif, failed for /var/bcif/he/4hec.bcif Date releaseDate = DATE_FORMAT.parse(release); pdbHeader.setRelDate(releaseDate); } catch (ParseException e) { @@ -737,6 +687,7 @@ public void consumePdbxAuditRevisionHistory(PdbxAuditRevisionHistory pdbxAuditRe // the last revision date will "stick" String revision = pdbxAuditRevisionHistory.getRevisionDate().get(rowIndex); try { + // TODO java.lang.NumberFormatException: multiple points - failed for /var/bcif/dz/1dzw.bcif, failed for /var/bcif/y2/2y28.bcif Date revisionDate = DATE_FORMAT.parse(revision); pdbHeader.setModDate(revisionDate); } catch (ParseException e) { @@ -755,11 +706,12 @@ public void consumePdbxChemCompIdentifier(PdbxChemCompIdentifier pdbxChemCompIde public void consumePdbxDatabaseStatus(PdbxDatabaseStatus pdbxDatabaseStatus) { for (int rowIndex = 0; rowIndex < pdbxDatabaseStatus.getRowCount(); rowIndex++) { // the deposition date field is only available in mmCIF 5.0 - RecvdInitialDepositionDate col = pdbxDatabaseStatus.getRecvdInitialDepositionDate(); - if (col.isDefined()) { - String deposition = col.get(rowIndex); + StrColumn recvdInitialDepositionDate = pdbxDatabaseStatus.getRecvdInitialDepositionDate(); + if (recvdInitialDepositionDate.isDefined()) { + String deposition = recvdInitialDepositionDate.get(rowIndex); try { + // TODO failed for /var/bcif/z4/2z4j.bcif java.lang.NumberFormatException: For input string: ".202717E4202717E4" Date depositionDate = DATE_FORMAT.parse(deposition); pdbHeader.setDepDate(depositionDate); } catch (ParseException e) { @@ -838,7 +790,7 @@ public void consumeRefine(Refine refine) { } pdbHeader.setResolution((float) lsDResHigh); - LsRFactorRFree lsRFactorRFree = refine.getLsRFactorRFree(); + FloatColumn lsRFactorRFree = refine.getLsRFactorRFree(); // RFREE if (pdbHeader.getRfree() != PDBHeader.DEFAULT_RFREE) { logger.warn("More than 1 Rfree value present, will use last one {} and discard previous {}", @@ -852,7 +804,7 @@ public void consumeRefine(Refine refine) { } // RWORK - LsRFactorRWork lsRFactorRWork = refine.getLsRFactorRWork(); + FloatColumn lsRFactorRWork = refine.getLsRFactorRWork(); if(pdbHeader.getRwork() != PDBHeader.DEFAULT_RFREE) { logger.warn("More than 1 R work value present, will use last one {} and discard previous {} ", lsRFactorRWork, String.format("%4.2f",pdbHeader.getRwork())); @@ -898,7 +850,7 @@ public void consumeStructConnType(StructConnType structConnType) { @Override public void consumeStructKeywords(StructKeywords structKeywords) { - PdbxKeywords pdbxKeywords = structKeywords.getPdbxKeywords(); + StrColumn pdbxKeywords = structKeywords.getPdbxKeywords(); // TODO what is the correct format for these? pdbHeader.setDescription(pdbxKeywords.values().collect(Collectors.joining(", "))); pdbHeader.setClassification(pdbxKeywords.values().collect(Collectors.joining(", "))); @@ -978,7 +930,7 @@ public void consumeStructRefSeq(StructRefSeq structRefSeq) { int dbSeqEnd = structRefSeq.getDbAlignEnd().get(rowIndex); char dbBeginInsCode = ' '; - PdbxDbAlignBegInsCode pdbxDbAlignBegInsCodeCol = structRefSeq.getPdbxDbAlignBegInsCode(); + StrColumn pdbxDbAlignBegInsCodeCol = structRefSeq.getPdbxDbAlignBegInsCode(); if (pdbxDbAlignBegInsCodeCol.isDefined()) { String pdbxDbAlignBegInsCode = pdbxDbAlignBegInsCodeCol.get(rowIndex); if (pdbxDbAlignBegInsCode.length() > 0) { @@ -987,7 +939,7 @@ public void consumeStructRefSeq(StructRefSeq structRefSeq) { } char dbEndInsCode = ' '; - PdbxDbAlignEndInsCode pdbxDbAlignEndInsCodeCol = structRefSeq.getPdbxDbAlignEndInsCode(); + StrColumn pdbxDbAlignEndInsCodeCol = structRefSeq.getPdbxDbAlignEndInsCode(); if (pdbxDbAlignEndInsCodeCol.isDefined()) { String pdbxDbAlignEndInsCode = pdbxDbAlignEndInsCodeCol.get(rowIndex); if (pdbxDbAlignEndInsCode.length() > 0) { @@ -1157,6 +1109,7 @@ public void finish() { SeqRes2AtomAligner.storeUnAlignedSeqRes(structure, seqResChains, params.isHeaderOnly()); } + // TODO java.lang.NullPointerException - failed for /var/bcif/hm/2hmz.bcif // Now make sure all altlocgroups have all the atoms in all the groups StructureTools.cleanUpAltLocs(structure); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java index b720a2bb05..d526b81475 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java @@ -276,8 +276,7 @@ public void accept(WrappedAtom wrappedAtom) { AtomSiteCollector combine(AtomSiteCollector other) { throw new UnsupportedOperationException("impl by calling addAll for all collection - not feeling like writing that code"); } - - @SuppressWarnings("Duplicates") + Category get() { return new CategoryBuilder("atom_site", null) .addColumn(groupPDB.build()) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java index 94f1421a76..ebc5a51d4f 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java @@ -1,7 +1,13 @@ package org.biojava.nbio.structure.io.cif; -import org.biojava.nbio.structure.*; -import org.biojava.nbio.structure.io.*; +import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.EntityInfo; +import org.biojava.nbio.structure.EntityType; +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.io.CifFileReader; +import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.PDBFileParser; +import org.junit.Ignore; import org.junit.Test; import org.rcsb.cif.CifReader; import org.rcsb.cif.model.CifFile; @@ -11,12 +17,17 @@ import java.io.ByteArrayInputStream; import java.io.IOException; import java.io.InputStream; +import java.nio.file.Files; +import java.nio.file.Path; +import java.nio.file.Paths; import java.text.ParseException; import java.text.SimpleDateFormat; import java.util.Date; import java.util.List; import java.util.Locale; import java.util.Objects; +import java.util.concurrent.atomic.AtomicInteger; +import java.util.stream.Stream; import java.util.zip.GZIPInputStream; import static org.junit.Assert.*; From 9f05a76726ad866ced149e4762a21f289bd1ab55 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Wed, 1 May 2019 16:56:24 -0700 Subject: [PATCH 034/821] stub for to test date format parsing --- .../test/io/cif/CifFileConsumerImplTest.java | 47 +++++++++++++++++-- .../structure/io/cif/CifFileConsumerImpl.java | 17 ++++--- .../io/cif/CifFileConsumerImplTest.java | 6 --- 3 files changed, 54 insertions(+), 16 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java index 4681f54eb2..a56b18bb81 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java @@ -9,21 +9,62 @@ import java.io.IOException; import java.io.InputStream; +import java.io.UncheckedIOException; import java.nio.file.Files; import java.nio.file.Paths; +import java.util.Date; import java.util.List; import java.util.concurrent.atomic.AtomicInteger; +import java.util.stream.Stream; +import java.util.zip.GZIPInputStream; import static org.junit.Assert.*; public class CifFileConsumerImplTest { + /** + * java.lang.NumberFormatException: multiple points have been thrown. + */ @Test - public void test2z4j() { - + @Ignore("ignored for now as Bcif file source may change - currently using local files") + public void testNumberFormat() { + Stream.of("1z4s", "4hec", "1dzw", "2y28").forEach(pdbId -> { + System.out.println(pdbId); + Structure cif = loadLocalCif(pdbId); + assertNumberFormat(cif); + Structure bcif = loadLocalBcif(pdbId); + assertNumberFormat(bcif); + }); + } + + private Structure loadLocalCif(String pdbId) { + try { + String middle = pdbId.substring(1, 3); + return CifFileConverter.convert(CifReader.readText(new GZIPInputStream(Files.newInputStream(Paths.get("/var/pdb/" + middle + "/" + pdbId + ".cif.gz"))))); + } catch (IOException e) { + throw new UncheckedIOException(e); + } + } + + private Structure loadLocalBcif(String pdbId) { + try { + String middle = pdbId.substring(1, 3); + return CifFileConverter.convert(CifReader.readBinary(Files.newInputStream(Paths.get("/var/bcif/" + middle + "/" + pdbId + ".bcif")))); + } catch (IOException e) { + throw new UncheckedIOException(e); + } + } + + private void assertNumberFormat(Structure structure) { + PDBHeader header = structure.getPDBHeader(); + assertNotNull(header); + Date relDate = header.getRelDate(); + assertNotNull(relDate); + Date modDate = header.getModDate(); + assertNotNull(modDate); } @Test - @Ignore + @Ignore("ignore long-running test, do run to track performance") public void parseEntireArchive() throws IOException { AtomicInteger counter = new AtomicInteger(0); AtomicInteger failed = new AtomicInteger(0); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 09161b74ee..b56971fb60 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -2,17 +2,17 @@ import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.io.*; -// TODO detach the impl from the redundant mmCIF impl import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; import org.biojava.nbio.structure.io.mmcif.model.DatabasePdbrevRecord; -import org.biojava.nbio.structure.io.mmcif.model.EntitySrcSyn; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; import org.biojava.nbio.structure.xtal.CrystalCell; import org.biojava.nbio.structure.xtal.SpaceGroup; import org.biojava.nbio.structure.xtal.SymoplibParser; -import org.rcsb.cif.model.*; +import org.rcsb.cif.model.FloatColumn; +import org.rcsb.cif.model.IntColumn; +import org.rcsb.cif.model.StrColumn; import org.rcsb.cif.model.generated.*; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -24,6 +24,8 @@ import java.util.stream.Collectors; import java.util.stream.IntStream; +// TODO detach the impl from the redundant mmCIF impl + /** * An implementation of a CifFileConsumer for BioJava. Will process the information provided by a CifFile instance and * use it to build up a {@link Structure} object. The implementation is for the most part really close to that in @@ -566,13 +568,13 @@ public void consumeDatabasePDBrevRecord(DatabasePDBRevRecord databasePDBrevRecor revRecords.addAll(convert(databasePDBrevRecord)); } - private List convert(Category databasePDBrevRecord) { + private List convert(DatabasePDBRevRecord databasePDBrevRecord) { List revRecords = new ArrayList<>(); for (int rowIndex = 0; rowIndex < databasePDBrevRecord.getRowCount(); rowIndex++) { DatabasePdbrevRecord revRecord = new DatabasePdbrevRecord(); - revRecord.setDetails(databasePDBrevRecord.getColumn("details").getStringData(rowIndex)); - revRecord.setRev_num(databasePDBrevRecord.getColumn("rev_num").getStringData(rowIndex)); - revRecord.setType(databasePDBrevRecord.getColumn("type").getStringData(rowIndex)); + revRecord.setDetails(databasePDBrevRecord.getDetails().get(rowIndex)); + revRecord.setRev_num(databasePDBrevRecord.getRevNum().getStringData(rowIndex)); + revRecord.setType(databasePDBrevRecord.getType().get(rowIndex)); revRecords.add(revRecord); } return revRecords; @@ -825,6 +827,7 @@ public void consumeStruct(Struct struct) { if (struct.isDefined() && struct.getEntryId().isDefined()) { pdbHeader.setIdCode(struct.getEntryId().get()); + structure.setPDBCode(struct.getEntryId().get()); } } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java index ebc5a51d4f..c1a4fbad7d 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java @@ -7,7 +7,6 @@ import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileParser; -import org.junit.Ignore; import org.junit.Test; import org.rcsb.cif.CifReader; import org.rcsb.cif.model.CifFile; @@ -17,17 +16,12 @@ import java.io.ByteArrayInputStream; import java.io.IOException; import java.io.InputStream; -import java.nio.file.Files; -import java.nio.file.Path; -import java.nio.file.Paths; import java.text.ParseException; import java.text.SimpleDateFormat; import java.util.Date; import java.util.List; import java.util.Locale; import java.util.Objects; -import java.util.concurrent.atomic.AtomicInteger; -import java.util.stream.Stream; import java.util.zip.GZIPInputStream; import static org.junit.Assert.*; From f26563d81f10d6c0050c4ecdc962643ed1e52e56 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Wed, 1 May 2019 17:05:14 -0700 Subject: [PATCH 035/821] removes generic getColumn calls --- .../structure/io/cif/CifFileConsumerImpl.java | 52 +++++++++---------- 1 file changed, 26 insertions(+), 26 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index b56971fb60..471233101f 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -1196,20 +1196,20 @@ public void finish() { Map> misMatchMap = new HashMap<>(); for (int rowIndex = 0; rowIndex < structRefSeqDif.getRowCount(); rowIndex++) { SeqMisMatch seqMisMatch = new SeqMisMatchImpl(); - seqMisMatch.setDetails(structRefSeqDif.getColumn("details").getStringData(rowIndex)); + seqMisMatch.setDetails(structRefSeqDif.getDetails().get(rowIndex)); - String insCode = structRefSeqDif.getColumn("pdbx_pdb_ins_code").getStringData(rowIndex); + String insCode = structRefSeqDif.getPdbxPdbInsCode().get(rowIndex); if (insCode != null && insCode.equals("?")) { insCode = null; } seqMisMatch.setInsCode(insCode); - seqMisMatch.setOrigGroup(structRefSeqDif.getColumn("db_mon_id").getStringData(rowIndex)); - seqMisMatch.setPdbGroup(structRefSeqDif.getColumn("mon_id").getStringData(rowIndex)); - seqMisMatch.setPdbResNum(structRefSeqDif.getColumn("pdbx_auth_seq_num").getStringData(rowIndex)); - seqMisMatch.setUniProtId(structRefSeqDif.getColumn("pdbx_seq_db_accession_code").getStringData(rowIndex)); - seqMisMatch.setSeqNum(Integer.parseInt(structRefSeqDif.getColumn("seq_num").getStringData(rowIndex))); + seqMisMatch.setOrigGroup(structRefSeqDif.getDbMonId().get(rowIndex)); + seqMisMatch.setPdbGroup(structRefSeqDif.getMonId().get(rowIndex)); + seqMisMatch.setPdbResNum(structRefSeqDif.getPdbxAuthSeqNum().get(rowIndex)); + seqMisMatch.setUniProtId(structRefSeqDif.getPdbxSeqDbAccessionCode().get(rowIndex)); + seqMisMatch.setSeqNum(structRefSeqDif.getSeqNum().get(rowIndex)); - String strandId = structRefSeqDif.getColumn("pdbx_pdb_strand_id").getStringData(rowIndex); + String strandId = structRefSeqDif.getPdbxPdbStrandId().get(rowIndex); List seqMisMatches = misMatchMap.computeIfAbsent(strandId, k -> new ArrayList<>()); seqMisMatches.add(seqMisMatch); } @@ -1283,7 +1283,7 @@ private void addAncilliaryEntityData(int asymRowIndex, EntityInfo entityInfo) { // This is a potentially huge assumption... for (int rowIndex = 0; rowIndex < entitySrcGen.getRowCount(); rowIndex++) { - if (entitySrcGen.getColumn("entity_id").getStringData(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { + if (entitySrcGen.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { continue; } @@ -1291,7 +1291,7 @@ private void addAncilliaryEntityData(int asymRowIndex, EntityInfo entityInfo) { } for (int rowIndex = 0; rowIndex < entitySrcNat.getRowCount(); rowIndex++) { - if (entitySrcNat.getColumn("entity_id").getStringData(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { + if (entitySrcNat.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { continue; } @@ -1299,7 +1299,7 @@ private void addAncilliaryEntityData(int asymRowIndex, EntityInfo entityInfo) { } for (int rowIndex = 0; rowIndex < entitySrcSyn.getRowCount(); rowIndex++) { - if (entitySrcSyn.getColumn("entity_id").getStringData(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { + if (entitySrcSyn.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { continue; } @@ -1308,27 +1308,27 @@ private void addAncilliaryEntityData(int asymRowIndex, EntityInfo entityInfo) { } private void addInformationFromEntitySrcSyn(int rowIndex, EntityInfo entityInfo) { - entityInfo.setOrganismCommon(entitySrcSyn.getColumn("organism_common_name").getStringData(rowIndex)); - entityInfo.setOrganismScientific(entitySrcSyn.getColumn("organism_scientific").getStringData(rowIndex)); - entityInfo.setOrganismTaxId(entitySrcSyn.getColumn("ncbi_taxonomy_id").getStringData(rowIndex)); + entityInfo.setOrganismCommon(entitySrcSyn.getOrganismCommonName().get(rowIndex)); + entityInfo.setOrganismScientific(entitySrcSyn.getOrganismScientific().get(rowIndex)); + entityInfo.setOrganismTaxId(entitySrcSyn.getNcbiTaxonomyId().get(rowIndex)); } private void addInformationFromEntitySrcNat(int rowIndex, EntityInfo entityInfo) { - entityInfo.setAtcc(entitySrcNat.getColumn("pdbx_atcc").getStringData(rowIndex)); - entityInfo.setCell(entitySrcNat.getColumn("pdbx_cell").getStringData(rowIndex)); - entityInfo.setOrganismCommon(entitySrcNat.getColumn("common_name").getStringData(rowIndex)); - entityInfo.setOrganismScientific(entitySrcNat.getColumn("pdbx_organism_scientific").getStringData(rowIndex)); - entityInfo.setOrganismTaxId(entitySrcNat.getColumn("pdbx_ncbi_taxonomy_id").getStringData(rowIndex)); + entityInfo.setAtcc(entitySrcNat.getPdbxAtcc().get(rowIndex)); + entityInfo.setCell(entitySrcNat.getPdbxCell().get(rowIndex)); + entityInfo.setOrganismCommon(entitySrcNat.getCommonName().get(rowIndex)); + entityInfo.setOrganismScientific(entitySrcNat.getPdbxOrganismScientific().get(rowIndex)); + entityInfo.setOrganismTaxId(entitySrcNat.getPdbxNcbiTaxonomyId().get(rowIndex)); } private void addInformationFromEntitySrcGen(int rowIndex, EntityInfo entityInfo) { - entityInfo.setAtcc(entitySrcGen.getColumn("pdbx_gene_src_atcc").getStringData(rowIndex)); - entityInfo.setCell(entitySrcGen.getColumn("pdbx_gene_src_cell").getStringData(rowIndex)); - entityInfo.setOrganismCommon(entitySrcGen.getColumn("gene_src_common_name").getStringData(rowIndex)); - entityInfo.setOrganismScientific(entitySrcGen.getColumn("pdbx_gene_src_scientific_name").getStringData(rowIndex)); - entityInfo.setOrganismTaxId(entitySrcGen.getColumn("pdbx_gene_src_ncbi_taxonomy_id").getStringData(rowIndex)); - entityInfo.setExpressionSystemTaxId(entitySrcGen.getColumn("pdbx_host_org_ncbi_taxonomy_id").getStringData(rowIndex)); - entityInfo.setExpressionSystem(entitySrcGen.getColumn("pdbx_host_org_scientific_name").getStringData(rowIndex)); + entityInfo.setAtcc(entitySrcGen.getPdbxGeneSrcAtcc().get(rowIndex)); + entityInfo.setCell(entitySrcGen.getPdbxGeneSrcCell().get(rowIndex)); + entityInfo.setOrganismCommon(entitySrcGen.getGeneSrcCommonName().get(rowIndex)); + entityInfo.setOrganismScientific(entitySrcGen.getPdbxGeneSrcScientificName().get(rowIndex)); + entityInfo.setOrganismTaxId(entitySrcGen.getPdbxGeneSrcNcbiTaxonomyId().get(rowIndex)); + entityInfo.setExpressionSystemTaxId(entitySrcGen.getPdbxHostOrgNcbiTaxonomyId().get(rowIndex)); + entityInfo.setExpressionSystem(entitySrcGen.getPdbxHostOrgScientificName().get(rowIndex)); } private void setStructNcsOps() { From 7c036221db18228b9c31f71d22577169cc182350 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Wed, 1 May 2019 17:16:39 -0700 Subject: [PATCH 036/821] adds AltLoc NullPointerException test --- .../test/io/cif/CifFileConsumerImplTest.java | 12 ++++++++++++ .../nbio/structure/io/cif/CifFileConsumerImpl.java | 1 - 2 files changed, 12 insertions(+), 1 deletion(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java index a56b18bb81..ce242dd562 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java @@ -21,6 +21,18 @@ import static org.junit.Assert.*; public class CifFileConsumerImplTest { + /** + * java.lang.NullPointerException - failed for /var/bcif/hm/2hmz.bcif + */ + @Test + @Ignore("ignored for now as Bcif file source may change - currently using local files") + public void testAltLocCleanup() throws IOException, StructureException { + StructureIO.getAtomCache().setUseMmCif(true); + StructureIO.getStructure("2hmz"); + Structure cif = loadLocalCif("2hmz"); + Structure bcif = loadLocalBcif("2hmz"); + } + /** * java.lang.NumberFormatException: multiple points have been thrown. */ diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 471233101f..1ea68caba2 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -1112,7 +1112,6 @@ public void finish() { SeqRes2AtomAligner.storeUnAlignedSeqRes(structure, seqResChains, params.isHeaderOnly()); } - // TODO java.lang.NullPointerException - failed for /var/bcif/hm/2hmz.bcif // Now make sure all altlocgroups have all the atoms in all the groups StructureTools.cleanUpAltLocs(structure); From 818354e930ed191aa9da459dc7e1983b40ca8756 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Wed, 1 May 2019 17:44:47 -0700 Subject: [PATCH 037/821] bug fix where three-letter-code was not assigned for altloc --- .../test/io/cif/CifFileConsumerImplTest.java | 12 ------------ .../nbio/structure/io/cif/CifFileConsumerImpl.java | 13 ++++++++++--- 2 files changed, 10 insertions(+), 15 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java index ce242dd562..a56b18bb81 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java @@ -21,18 +21,6 @@ import static org.junit.Assert.*; public class CifFileConsumerImplTest { - /** - * java.lang.NullPointerException - failed for /var/bcif/hm/2hmz.bcif - */ - @Test - @Ignore("ignored for now as Bcif file source may change - currently using local files") - public void testAltLocCleanup() throws IOException, StructureException { - StructureIO.getAtomCache().setUseMmCif(true); - StructureIO.getStructure("2hmz"); - Structure cif = loadLocalCif("2hmz"); - Structure bcif = loadLocalBcif("2hmz"); - } - /** * java.lang.NumberFormatException: multiple points have been thrown. */ diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 1ea68caba2..22074ce0a8 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -316,6 +316,7 @@ private Group getAltLocGroup(String recordName, Character altLoc, Character oneL } Group altLocGroup = createGroup(recordName, oneLetterCode, threeLetterCode, seqId); + altLocGroup.setPDBName(threeLetterCode); altLocGroup.setResidueNumber(currentGroup.getResidueNumber()); currentGroup.addAltLoc(altLocGroup); return altLocGroup; @@ -677,7 +678,6 @@ public void consumePdbxAuditRevisionHistory(PdbxAuditRevisionHistory pdbxAuditRe if (pdbxAuditRevisionHistory.getOrdinal().get(rowIndex) == 1) { String release = pdbxAuditRevisionHistory.getRevisionDate().get(rowIndex); try { - // TODO java.lang.NumberFormatException: multiple points - failed for /var/bcif/z4/1z4s.bcif, failed for /var/bcif/he/4hec.bcif Date releaseDate = DATE_FORMAT.parse(release); pdbHeader.setRelDate(releaseDate); } catch (ParseException e) { @@ -689,7 +689,6 @@ public void consumePdbxAuditRevisionHistory(PdbxAuditRevisionHistory pdbxAuditRe // the last revision date will "stick" String revision = pdbxAuditRevisionHistory.getRevisionDate().get(rowIndex); try { - // TODO java.lang.NumberFormatException: multiple points - failed for /var/bcif/dz/1dzw.bcif, failed for /var/bcif/y2/2y28.bcif Date revisionDate = DATE_FORMAT.parse(revision); pdbHeader.setModDate(revisionDate); } catch (ParseException e) { @@ -713,7 +712,6 @@ public void consumePdbxDatabaseStatus(PdbxDatabaseStatus pdbxDatabaseStatus) { String deposition = recvdInitialDepositionDate.get(rowIndex); try { - // TODO failed for /var/bcif/z4/2z4j.bcif java.lang.NumberFormatException: For input string: ".202717E4202717E4" Date depositionDate = DATE_FORMAT.parse(deposition); pdbHeader.setDepDate(depositionDate); } catch (ParseException e) { @@ -1112,6 +1110,15 @@ public void finish() { SeqRes2AtomAligner.storeUnAlignedSeqRes(structure, seqResChains, params.isHeaderOnly()); } + structure.getChains() + .stream() + .map(Chain::getAtomGroups) + .flatMap(Collection::stream) + .filter(Group::hasAltLoc) + .map(Group::getAltLocs) + .flatMap(Collection::stream) + .forEach(System.out::println); + // Now make sure all altlocgroups have all the atoms in all the groups StructureTools.cleanUpAltLocs(structure); From eeadc2fc900b03ddaa653ca2d8156f078e87d681 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Wed, 1 May 2019 17:46:04 -0700 Subject: [PATCH 038/821] removes sout --- .../nbio/structure/io/cif/CifFileConsumerImpl.java | 9 --------- 1 file changed, 9 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 22074ce0a8..2b458b1613 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -1110,15 +1110,6 @@ public void finish() { SeqRes2AtomAligner.storeUnAlignedSeqRes(structure, seqResChains, params.isHeaderOnly()); } - structure.getChains() - .stream() - .map(Chain::getAtomGroups) - .flatMap(Collection::stream) - .filter(Group::hasAltLoc) - .map(Group::getAltLocs) - .flatMap(Collection::stream) - .forEach(System.out::println); - // Now make sure all altlocgroups have all the atoms in all the groups StructureTools.cleanUpAltLocs(structure); From 5868d90c6f5c59f00a4643ce2bf3e91adc6e9434 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Wed, 1 May 2019 18:47:42 -0700 Subject: [PATCH 039/821] replaces SimpleDateFormat with mature implementation - solves Exceptions in binary parsing + speed-up (?) - Exception were parsing exceptions from the prominent Date class when executing in parallel. Not possible to reproduce, but omitted by changing to robust, thread-safe number parsing class. --- .../test/io/cif/CifFileConsumerImplTest.java | 45 +++++++++----- .../structure/io/cif/CifFileConsumerImpl.java | 61 ++++++------------- 2 files changed, 50 insertions(+), 56 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java index a56b18bb81..1adc3c7151 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java @@ -12,28 +12,34 @@ import java.io.UncheckedIOException; import java.nio.file.Files; import java.nio.file.Paths; +import java.util.ArrayList; +import java.util.Collections; import java.util.Date; import java.util.List; import java.util.concurrent.atomic.AtomicInteger; -import java.util.stream.Stream; +import java.util.regex.Pattern; import java.util.zip.GZIPInputStream; import static org.junit.Assert.*; public class CifFileConsumerImplTest { - /** - * java.lang.NumberFormatException: multiple points have been thrown. - */ @Test @Ignore("ignored for now as Bcif file source may change - currently using local files") - public void testNumberFormat() { - Stream.of("1z4s", "4hec", "1dzw", "2y28").forEach(pdbId -> { - System.out.println(pdbId); - Structure cif = loadLocalCif(pdbId); - assertNumberFormat(cif); - Structure bcif = loadLocalBcif(pdbId); - assertNumberFormat(bcif); - }); + public void testFailingEntries() { + Pattern.compile(", ").splitAsStream("4he8, 1z4u, 4fp1, 1blc, 4cit, 2y2y, 4exq, 2n0f, 2d9o, 2v16, 1kqv, " + + "1bwo, 2k2g, 1qhd, 5mhj, 2dn3, 5pq8, 5cay, 6ms1, 2vhu, 2gi0, 3swe, 3daz, 5yel, 2pxp, 4uis, 3cs1, 3in5," + + " 1sl3, 4hjc, 3hj2, 5kpi, 1gyq, 1yq8, 4yqz, 1ox3, 2pls, 1vne, 4q02, 1dtt, 1jau, 5h3b, 5sxk, 4el7, 5q7w," + + " 4zuz, 1n6i, 1dhg, 3dhe, 2gpo, 5if7, 5ld8, 1jhz, 4fr3, 1r6u, 3hdl, 5fse, 1iho, 1t10, 2oc6, 3czx, 3b3o," + + " 5i6w, 2ecv, 4l2x, 441d, 2i0x, 1xq4, 3tbb, 4mmz, 1qew, 6i16, 1t8d, 5w7r, 6gm1, 1s7u, 2qp3, 1cf3, 4myb," + + " 1omh, 1zog, 2b68, 1nqb, 1t7k") + .parallel() + .forEach(pdbId -> { + System.out.println(pdbId); + Structure cif = loadLocalCif(pdbId); + assertNumberFormat(cif); + Structure bcif = loadLocalBcif(pdbId); + assertNumberFormat(bcif); + }); } private Structure loadLocalCif(String pdbId) { @@ -63,13 +69,21 @@ private void assertNumberFormat(Structure structure) { assertNotNull(modDate); } + /** + * Performance diary; + * + * 05/01/19 - ciftools v0.3.0, parallel, bcif, non-gzipped, 12 worker threads + * 918 s for 151079 structures, 6073 µs per structure, failed for 0 entries + * + * @throws IOException propagated + */ @Test @Ignore("ignore long-running test, do run to track performance") public void parseEntireArchive() throws IOException { AtomicInteger counter = new AtomicInteger(0); - AtomicInteger failed = new AtomicInteger(0); long start = System.nanoTime(); int chunkSize = 250; + List failed = Collections.synchronizedList(new ArrayList<>()); Files.walk(Paths.get( // change to your own paths @@ -93,13 +107,14 @@ public void parseEntireArchive() throws IOException { } catch (Exception e) { System.err.println("failed for " + path.toFile().getAbsolutePath()); e.printStackTrace(); - failed.incrementAndGet(); + failed.add(path.toFile().getName().split("\\.")[0]); } }); long end = System.nanoTime(); System.out.println((end - start) / 1_000_000_000 + " s"); - System.out.println("failed for " + failed.intValue() + " structures"); + System.out.println("failed for " + failed.size() + " structures"); + System.out.println("failed ids: " + failed); } private static boolean headerOnly; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 2b458b1613..ef7dabd41c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -18,8 +18,11 @@ import org.slf4j.LoggerFactory; import javax.vecmath.Matrix4d; -import java.text.ParseException; -import java.text.SimpleDateFormat; +import java.time.LocalDate; +import java.time.LocalDateTime; +import java.time.ZoneId; +import java.time.format.DateTimeFormatter; +import java.time.format.DateTimeFormatterBuilder; import java.util.*; import java.util.stream.Collectors; import java.util.stream.IntStream; @@ -37,7 +40,10 @@ */ class CifFileConsumerImpl implements CifFileConsumer { private static final Logger logger = LoggerFactory.getLogger(CifFileConsumerImpl.class); - private static final SimpleDateFormat DATE_FORMAT = new SimpleDateFormat("yyyy-MM-dd", Locale.US); + private static final DateTimeFormatter DATE_FORMAT = new DateTimeFormatterBuilder() + .parseCaseInsensitive() + .appendPattern("yyyy-MM-dd") + .toFormatter(Locale.US); private Structure structure; private Chain currentChain; @@ -524,6 +530,10 @@ public void consumeDatabasePDBremark(DatabasePDBRemark databasePDBremark) { } } + private Date convert(LocalDate localDate) { + return Date.from(localDate.atStartOfDay().atZone(ZoneId.systemDefault()).toInstant()); + } + @Override public void consumeDatabasePDBrev(DatabasePDBRev databasePDBrev) { logger.debug("got a database revision:" + databasePDBrev); @@ -531,29 +541,13 @@ public void consumeDatabasePDBrev(DatabasePDBRev databasePDBrev) { for (int rowIndex = 0; rowIndex < databasePDBrev.getRowCount(); rowIndex++) { if (databasePDBrev.getNum().get(rowIndex) == 1) { String dateOriginal = databasePDBrev.getDateOriginal().get(rowIndex); - try { - Date dep = DATE_FORMAT.parse(dateOriginal); - pdbHeader.setDepDate(dep); - } catch (ParseException e){ - logger.warn("Could not parse date string '{}', deposition date will be unavailable", - dateOriginal); - } + pdbHeader.setDepDate(convert(LocalDate.parse(dateOriginal, DATE_FORMAT))); String date = databasePDBrev.getDate().get(rowIndex); - try { - Date rel = DATE_FORMAT.parse(date); - pdbHeader.setRelDate(rel); - } catch (ParseException e){ - logger.warn("Could not parse date string '{}', modification date will be unavailable", date); - } + pdbHeader.setRelDate(convert(LocalDate.parse(date, DATE_FORMAT))); } else { String dbrev = databasePDBrev.getDate().get(rowIndex); - try { - Date mod = DATE_FORMAT.parse(dbrev); - pdbHeader.setModDate(mod); - } catch (ParseException e){ - logger.warn("Could not parse date string '{}', modification date will be unavailable", dbrev); - } + pdbHeader.setModDate(convert(LocalDate.parse(dbrev, DATE_FORMAT))); } } } @@ -677,23 +671,13 @@ public void consumePdbxAuditRevisionHistory(PdbxAuditRevisionHistory pdbxAuditRe // first entry in revision history is the release date if (pdbxAuditRevisionHistory.getOrdinal().get(rowIndex) == 1) { String release = pdbxAuditRevisionHistory.getRevisionDate().get(rowIndex); - try { - Date releaseDate = DATE_FORMAT.parse(release); - pdbHeader.setRelDate(releaseDate); - } catch (ParseException e) { - logger.warn("Could not parse date string '{}', release date will be unavailable", release); - } + pdbHeader.setRelDate(convert(LocalDate.parse(release, DATE_FORMAT))); } else { // all other dates are revision dates; // since this method may be called multiple times, // the last revision date will "stick" String revision = pdbxAuditRevisionHistory.getRevisionDate().get(rowIndex); - try { - Date revisionDate = DATE_FORMAT.parse(revision); - pdbHeader.setModDate(revisionDate); - } catch (ParseException e) { - logger.warn("Could not parse date string '{}', revision date will be unavailable", revision); - } + pdbHeader.setModDate(convert(LocalDate.parse(revision, DATE_FORMAT))); } } } @@ -710,13 +694,7 @@ public void consumePdbxDatabaseStatus(PdbxDatabaseStatus pdbxDatabaseStatus) { StrColumn recvdInitialDepositionDate = pdbxDatabaseStatus.getRecvdInitialDepositionDate(); if (recvdInitialDepositionDate.isDefined()) { String deposition = recvdInitialDepositionDate.get(rowIndex); - - try { - Date depositionDate = DATE_FORMAT.parse(deposition); - pdbHeader.setDepDate(depositionDate); - } catch (ParseException e) { - logger.warn("Could not parse date string '{}', deposition date will be unavailable", deposition); - } + pdbHeader.setDepDate(convert(LocalDate.parse(deposition, DATE_FORMAT))); } } } @@ -784,6 +762,7 @@ public void consumeRefine(Refine refine) { // there are 2 resolution values, one for each method // we take the last one found so that behaviour is like in PDB file parsing double lsDResHigh = refine.getLsDResHigh().get(rowIndex); + // TODO this could use a check to keep reasonable values - 1.5 may be overwritten by 0.0 if (pdbHeader.getResolution() != PDBHeader.DEFAULT_RESOLUTION) { logger.warn("More than 1 resolution value present, will use last one {} and discard previous {}", lsDResHigh, String.format("%4.2f",pdbHeader.getResolution())); From 4644ce17af35b89cc026067915322e91b266b6e5 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Thu, 2 May 2019 11:47:37 -0700 Subject: [PATCH 040/821] adds test results, small cleanup in CifFileConsumerImpl --- .../test/io/cif/CifFileConsumerImplTest.java | 246 +++++++++++------- .../structure/io/cif/CifFileConsumerImpl.java | 3 +- 2 files changed, 146 insertions(+), 103 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java index 1adc3c7151..6405fe0f63 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java @@ -11,6 +11,7 @@ import java.io.InputStream; import java.io.UncheckedIOException; import java.nio.file.Files; +import java.nio.file.Path; import java.nio.file.Paths; import java.util.ArrayList; import java.util.Collections; @@ -23,100 +24,6 @@ import static org.junit.Assert.*; public class CifFileConsumerImplTest { - @Test - @Ignore("ignored for now as Bcif file source may change - currently using local files") - public void testFailingEntries() { - Pattern.compile(", ").splitAsStream("4he8, 1z4u, 4fp1, 1blc, 4cit, 2y2y, 4exq, 2n0f, 2d9o, 2v16, 1kqv, " + - "1bwo, 2k2g, 1qhd, 5mhj, 2dn3, 5pq8, 5cay, 6ms1, 2vhu, 2gi0, 3swe, 3daz, 5yel, 2pxp, 4uis, 3cs1, 3in5," + - " 1sl3, 4hjc, 3hj2, 5kpi, 1gyq, 1yq8, 4yqz, 1ox3, 2pls, 1vne, 4q02, 1dtt, 1jau, 5h3b, 5sxk, 4el7, 5q7w," + - " 4zuz, 1n6i, 1dhg, 3dhe, 2gpo, 5if7, 5ld8, 1jhz, 4fr3, 1r6u, 3hdl, 5fse, 1iho, 1t10, 2oc6, 3czx, 3b3o," + - " 5i6w, 2ecv, 4l2x, 441d, 2i0x, 1xq4, 3tbb, 4mmz, 1qew, 6i16, 1t8d, 5w7r, 6gm1, 1s7u, 2qp3, 1cf3, 4myb," + - " 1omh, 1zog, 2b68, 1nqb, 1t7k") - .parallel() - .forEach(pdbId -> { - System.out.println(pdbId); - Structure cif = loadLocalCif(pdbId); - assertNumberFormat(cif); - Structure bcif = loadLocalBcif(pdbId); - assertNumberFormat(bcif); - }); - } - - private Structure loadLocalCif(String pdbId) { - try { - String middle = pdbId.substring(1, 3); - return CifFileConverter.convert(CifReader.readText(new GZIPInputStream(Files.newInputStream(Paths.get("/var/pdb/" + middle + "/" + pdbId + ".cif.gz"))))); - } catch (IOException e) { - throw new UncheckedIOException(e); - } - } - - private Structure loadLocalBcif(String pdbId) { - try { - String middle = pdbId.substring(1, 3); - return CifFileConverter.convert(CifReader.readBinary(Files.newInputStream(Paths.get("/var/bcif/" + middle + "/" + pdbId + ".bcif")))); - } catch (IOException e) { - throw new UncheckedIOException(e); - } - } - - private void assertNumberFormat(Structure structure) { - PDBHeader header = structure.getPDBHeader(); - assertNotNull(header); - Date relDate = header.getRelDate(); - assertNotNull(relDate); - Date modDate = header.getModDate(); - assertNotNull(modDate); - } - - /** - * Performance diary; - * - * 05/01/19 - ciftools v0.3.0, parallel, bcif, non-gzipped, 12 worker threads - * 918 s for 151079 structures, 6073 µs per structure, failed for 0 entries - * - * @throws IOException propagated - */ - @Test - @Ignore("ignore long-running test, do run to track performance") - public void parseEntireArchive() throws IOException { - AtomicInteger counter = new AtomicInteger(0); - long start = System.nanoTime(); - int chunkSize = 250; - List failed = Collections.synchronizedList(new ArrayList<>()); - - Files.walk(Paths.get( - // change to your own paths -// "/var/pdb/" // cif - "/var/bcif/" // bcif - )) - .parallel() - .filter(path -> !Files.isDirectory(path)) - .forEach(path -> { - int count = counter.incrementAndGet(); - if (count % chunkSize == 0) { - long end_chunk = System.nanoTime(); - System.out.println("[" + count + "] @ " + (((end_chunk - start) / - 1_000 / count) + " µs per structure")); - } - - try { - // the work is to obtain the CifFile instance and convert into a BioJava structure -// CifFileConverter.convert(CifReader.readText(Files.newInputStream(path))); // cif - CifFileConverter.convert(CifReader.readBinary(Files.newInputStream(path))); // bcif - } catch (Exception e) { - System.err.println("failed for " + path.toFile().getAbsolutePath()); - e.printStackTrace(); - failed.add(path.toFile().getName().split("\\.")[0]); - } - }); - - long end = System.nanoTime(); - System.out.println((end - start) / 1_000_000_000 + " s"); - System.out.println("failed for " + failed.size() + " structures"); - System.out.println("failed ids: " + failed); - } - private static boolean headerOnly; private static boolean binary; @@ -198,7 +105,7 @@ private void comparePDB2cif(String id, String chainId) throws IOException { pdbStructure.isNmr(), cifStructure.isNmr()); - if ( pdbStructure.isNmr()){ + if (pdbStructure.isNmr()){ assertEquals(id + ": the nr of NMR models is not the same!", pdbStructure.nrModels(), pdbStructure.nrModels()); @@ -273,13 +180,15 @@ private void checkGroups(Group g1, Group g2){ assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":"+ g2, g1.getAltLocs().size(), g2.getAltLocs().size()); assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":"+ g2, g1.getAtoms().size(), g2.getAtoms().size()); - if (g1.has3D()){ + if (g1.has3D()) { Atom a1 = g1.getAtom(0); Atom a2 = g2.getAtom(0); - if ( a1 == null) + if (a1 == null) { fail("could not get atom for group " + g1); - if (a2 == null) + } + if (a2 == null) { fail("could not get atom for group " + g2); + } assertEquals(a1.getX(),a2.getX(), 0.0001); assertEquals(a1.getOccupancy(), a2.getOccupancy(), 0.0001); assertEquals(a1.getTempFactor(), a2.getTempFactor(), 0.0001); @@ -287,7 +196,7 @@ private void checkGroups(Group g1, Group g2){ } } - private void checkNMR(Structure s){ + private void checkNMR(Structure s) { assertTrue(s.isNmr()); int models = s.nrModels(); assertTrue(models > 0); @@ -296,10 +205,10 @@ private void checkNMR(Structure s){ // compare with all others for (int i = 1 ; i < models; i++){ List modelX = s.getModel(i); - assertEquals(model0.size(),modelX.size()); + assertEquals(model0.size(), modelX.size()); // compare lengths: - for (int j=0 ; j< model0.size(); j++){ + for (int j = 0 ; j < model0.size(); j++){ Chain c1 = model0.get(j); Chain cx = modelX.get(j); assertEquals(c1.getAtomLength(), cx.getAtomLength()); @@ -310,4 +219,139 @@ private void checkNMR(Structure s){ } } } + + /** + * There were issues when parsing files in parallel using SimpleDateFormat. The culprit are not the actual files, + * but rather the parallel execution. No problems spotted by this test, run for whole archive is now flawless after + * dropping SimpleDateFormat for date parsing. + */ + @Test + @Ignore("ignored for now as Bcif file source may change - currently using local files") + public void testFailingEntries() { + Pattern.compile(", ").splitAsStream("4he8, 1z4u, 4fp1, 1blc, 4cit, 2y2y, 4exq, 2n0f, 2d9o, 2v16, 1kqv, " + + "1bwo, 2k2g, 1qhd, 5mhj, 2dn3, 5pq8, 5cay, 6ms1, 2vhu, 2gi0, 3swe, 3daz, 5yel, 2pxp, 4uis, 3cs1, 3in5," + + " 1sl3, 4hjc, 3hj2, 5kpi, 1gyq, 1yq8, 4yqz, 1ox3, 2pls, 1vne, 4q02, 1dtt, 1jau, 5h3b, 5sxk, 4el7, 5q7w," + + " 4zuz, 1n6i, 1dhg, 3dhe, 2gpo, 5if7, 5ld8, 1jhz, 4fr3, 1r6u, 3hdl, 5fse, 1iho, 1t10, 2oc6, 3czx, 3b3o," + + " 5i6w, 2ecv, 4l2x, 441d, 2i0x, 1xq4, 3tbb, 4mmz, 1qew, 6i16, 1t8d, 5w7r, 6gm1, 1s7u, 2qp3, 1cf3, 4myb," + + " 1omh, 1zog, 2b68, 1nqb, 1t7k") + .parallel() + .forEach(pdbId -> { + System.out.println(pdbId); + Structure cif = loadLocalCif(pdbId); + assertNumberFormat(cif); + Structure bcif = loadLocalBcif(pdbId); + assertNumberFormat(bcif); + }); + } + + private Structure loadLocalCif(String pdbId) { + try { + String middle = pdbId.substring(1, 3); + return CifFileConverter.convert(CifReader.readText(new GZIPInputStream(Files.newInputStream(Paths.get("/var/pdb/" + middle + "/" + pdbId + ".cif.gz"))))); + } catch (IOException e) { + throw new UncheckedIOException(e); + } + } + + private Structure loadLocalBcif(String pdbId) { + try { + String middle = pdbId.substring(1, 3); + return CifFileConverter.convert(CifReader.readBinary(Files.newInputStream(Paths.get("/var/bcif/" + middle + "/" + pdbId + ".bcif")))); + } catch (IOException e) { + throw new UncheckedIOException(e); + } + } + + private void assertNumberFormat(Structure structure) { + PDBHeader header = structure.getPDBHeader(); + assertNotNull(header); + Date relDate = header.getRelDate(); + assertNotNull(relDate); + Date modDate = header.getModDate(); + assertNotNull(modDate); + } + + enum Source { + BCIF, // binary cif using ciftools + CIF, // mmCIF using ciftools + MMCIF, // mmCIF using BioJava impl + MMTF // mmtf using BioJava impl + } + + /** + * Performance diary; + * + * 05/01/19 - ciftools v0.3.0, parallel, bcif, non-gzipped, 12 worker threads + * BCIF: 918 s for 151079 structures, 6073 µs per structure, failed for 0 entries + * CIF: 2502 s for 151079 structures, 16562 µs per structure, failed for 0 entries + * + * 05/02/19 - ciftools v0.3.0, parallel, bcif, non-gzipped for bcif / gzipped for cif, 12 worker threads + * BCIF: 35 s for 5000 structures, 6228 µs per structure, failed for 0 entries + * CIF: 132 s for 5000 structures, 23902 µs per structure, failed for 0 entries + * MMCIF: 310 s for 5000 structures, 52329 µs per structure, failed for 0 entries + * MMTF: 17 s for 5000 fetched structures, 3211 µs per structure, failed for 0 entries + * + * CIF parsing using David's tokenizer approach takes roughly half the time. Binary parsing using ciftools takes + * roughly double the time compared to MMTF and should be even more at a disadvantage when MMTF data is stored + * locally. However, MMTF provides almost no metadata. + * + * @throws IOException propagated + */ + @Test + @Ignore("ignore long-running test, do run to track performance") + public void parseEntireArchive() throws IOException { + // TODO create an objective test case - all local, all/none gzipped, mmtf parses almost no annotation data + AtomicInteger counter = new AtomicInteger(0); + long start = System.nanoTime(); + int chunkSize = 250; + List failed = Collections.synchronizedList(new ArrayList<>()); + + Source source = Source.CIF; + Path archivePath = null; + switch (source) { + // change to your own paths + case BCIF: archivePath = Paths.get("/var/bcif/"); break; + case CIF: case MMCIF: archivePath = Paths.get("/var/pdb/"); break; + // TODO obtain local MMTF archive - for now just pdbIds are obtained and then fetched from the RCSB PDB + case MMTF: archivePath = Paths.get("/var/pdb/"); break; + } + + Files.walk(archivePath) + .parallel() + // either process whole archive or limit to some number of structures +// .limit(5000) + .filter(path -> !Files.isDirectory(path)) + .forEach(path -> { + int count = counter.incrementAndGet(); + if (count % chunkSize == 0) { + long end_chunk = System.nanoTime(); + System.out.println("[" + count + "] @ " + (((end_chunk - start) / + 1_000 / count) + " µs per structure")); + } + + try { + // the work is to obtain the CifFile instance and convert into a BioJava structure + switch (source) { + case BCIF: + CifFileConverter.convert(CifReader.readBinary(Files.newInputStream(path))); break; + case CIF: + CifFileConverter.convert(CifReader.readText(new GZIPInputStream(Files.newInputStream(path)))); break; + case MMCIF: + new MMCIFFileReader().getStructure(new GZIPInputStream(Files.newInputStream(path))); break; + case MMTF: + // absolutely not comparable as files are fetched individually + new MMTFFileReader().getStructureById(path.toFile().getName().split("\\.")[0]); break; + } + } catch (Exception e) { + System.err.println("failed for " + path.toFile().getAbsolutePath()); + e.printStackTrace(); + failed.add(path.toFile().getName().split("\\.")[0]); + } + }); + + long end = System.nanoTime(); + System.out.println((end - start) / 1_000_000_000 + " s"); + System.out.println("failed for " + failed.size() + " structures"); + System.out.println("failed ids: " + failed); + } } \ No newline at end of file diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index ef7dabd41c..613c4b24d7 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -19,7 +19,6 @@ import javax.vecmath.Matrix4d; import java.time.LocalDate; -import java.time.LocalDateTime; import java.time.ZoneId; import java.time.format.DateTimeFormatter; import java.time.format.DateTimeFormatterBuilder; @@ -1463,7 +1462,7 @@ private void addSites() { } } catch (StructureException e) { logger.warn("Problem finding residue in site entry {} - {}", - structSiteGen.getSiteId().get(rowIndex), e.getMessage(), e.getMessage()); + structSiteGen.getSiteId().get(rowIndex), e.getMessage()); } if (g != null) { From 4b96a56e91d6f218ccef0a9ab1aa72e0469d2d6f Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Thu, 2 May 2019 12:06:36 -0700 Subject: [PATCH 041/821] removes unnecessary changes --- .../nbio/structure/io/LocalPDBDirectory.java | 77 +++++++++---------- .../io/mmcif/TestEntityNameAndType.java | 3 +- 2 files changed, 39 insertions(+), 41 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java index 5bd99e5330..1f6cd104b3 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java @@ -442,44 +442,44 @@ protected File downloadStructure(String pdbId) throws IOException{ // decide whether download is required File existing = getLocalFile(pdbId); switch(fetchBehavior) { - case LOCAL_ONLY: - if( existing == null ) { - throw new IOException(String.format("Structure %s not found in %s " - + "and configured not to download.",pdbId,getPath())); - } else { - return existing; - } - case FETCH_FILES: - // Use existing if present - if( existing != null) { - return existing; - } - // existing is null, downloadStructure(String,String,boolean,File) will download it - break; - case FETCH_IF_OUTDATED: - // here existing can be null or not: - // existing == null : downloadStructure(String,String,boolean,File) will download it - // existing != null : downloadStructure(String,String,boolean,File) will check its date and download if older - break; - case FETCH_REMEDIATED: - // Use existing if present and recent enough - if( existing != null) { - long lastModified = existing.lastModified(); - - if (lastModified < LAST_REMEDIATION_DATE) { - // the file is too old, replace with newer version - logger.warn("Replacing file {} with latest remediated (remediation of {}) file from PDB.", - existing, LAST_REMEDIATION_DATE_STRING); - existing = null; - break; + case LOCAL_ONLY: + if( existing == null ) { + throw new IOException(String.format("Structure %s not found in %s " + + "and configured not to download.",pdbId,getPath())); } else { return existing; } - } - case FORCE_DOWNLOAD: - // discard the existing file to force redownload - existing = null; // downloadStructure(String,String,boolean,File) will download it - break; + case FETCH_FILES: + // Use existing if present + if( existing != null) { + return existing; + } + // existing is null, downloadStructure(String,String,boolean,File) will download it + break; + case FETCH_IF_OUTDATED: + // here existing can be null or not: + // existing == null : downloadStructure(String,String,boolean,File) will download it + // existing != null : downloadStructure(String,String,boolean,File) will check its date and download if older + break; + case FETCH_REMEDIATED: + // Use existing if present and recent enough + if( existing != null) { + long lastModified = existing.lastModified(); + + if (lastModified < LAST_REMEDIATION_DATE) { + // the file is too old, replace with newer version + logger.warn("Replacing file {} with latest remediated (remediation of {}) file from PDB.", + existing, LAST_REMEDIATION_DATE_STRING); + existing = null; + break; + } else { + return existing; + } + } + case FORCE_DOWNLOAD: + // discard the existing file to force redownload + existing = null; // downloadStructure(String,String,boolean,File) will download it + break; } // Force the download now @@ -519,12 +519,9 @@ private File downloadStructure(String pdbId, String pathOnServer, boolean obsole if (getFilename(pdbId).endsWith(".mmtf.gz")){ ftp = CodecUtils.getMmtfEntryUrl(pdbId, true, false); - } else if (getFilename(pdbId).endsWith(".bcif")) { - // TODO need to change at some point? - ftp = "https://webchem.ncbr.muni.cz/ModelServer/static/bcif/" + pdbId; } else { ftp = String.format("%s%s/%s/%s", - serverName, pathOnServer, pdbId.substring(1,3).toLowerCase(), getFilename(pdbId)); + serverName, pathOnServer, pdbId.substring(1,3).toLowerCase(), getFilename(pdbId)); } URL url = new URL(ftp); @@ -774,4 +771,4 @@ protected void initPaths() { * @return A list of directories, relative to the /pub/pdb directory on the server */ protected abstract String[] getObsoleteDirPath(); -} +} \ No newline at end of file diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java index e754e221dd..f2236f0e7f 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java @@ -38,6 +38,7 @@ * */ public class TestEntityNameAndType { + @Test public void testEntityId() throws IOException, StructureException { @@ -101,4 +102,4 @@ public void testEntityId() throws IOException, StructureException { } -} +} \ No newline at end of file From a13fc6429e9bdeef3340f3a583dff89042d07383 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Thu, 2 May 2019 12:26:17 -0700 Subject: [PATCH 042/821] Hoping to fix LF/CRLF problems causing 4 files to be shown as modified by git --- .../nbio/core/sequence/io/uppercase_locus1.gb | 14 +++++++------- .../nbio/core/sequence/io/uppercase_locus3.gb | 12 ++++++------ .../nbio/core/sequence/io/uppercase_locus4.gb | 12 ++++++------ .../nbio/core/sequence/io/uppercase_locus6.gb | 14 +++++++------- 4 files changed, 26 insertions(+), 26 deletions(-) diff --git a/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus1.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus1.gb index fa8e641526..1808bee9a4 100644 --- a/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus1.gb +++ b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus1.gb @@ -1,7 +1,7 @@ -LOCUS ABC12.3_DE 7071 BP SS-DNA CIRCULAR SYN 13-JUL-1994 -DEFINITION - -KEYWORDS - -SOURCE - -FEATURES Location/Qualifiers -ORIGIN -// +LOCUS ABC12.3_DE 7071 BP SS-DNA CIRCULAR SYN 13-JUL-1994 +DEFINITION - +KEYWORDS - +SOURCE - +FEATURES Location/Qualifiers +ORIGIN +// diff --git a/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus3.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus3.gb index d4f8e2d83a..746308758d 100644 --- a/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus3.gb +++ b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus3.gb @@ -1,6 +1,6 @@ -LOCUS ABC12.3_DE 7071 BP DNA LINEAR SYN 22-JUL-1994 -DEFINITION - -TITLE - -FEATURES Location/Qualifiers -ORIGIN -// +LOCUS ABC12.3_DE 7071 BP DNA LINEAR SYN 22-JUL-1994 +DEFINITION - +TITLE - +FEATURES Location/Qualifiers +ORIGIN +// diff --git a/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus4.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus4.gb index faf86ce6eb..81bd140e69 100644 --- a/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus4.gb +++ b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus4.gb @@ -1,6 +1,6 @@ -LOCUS ABC12.3_DE 7071 BP RNA SYN 13-JUL-1994 -DEFINITION - -TITLE - -FEATURES Location/Qualifiers -ORIGIN -// +LOCUS ABC12.3_DE 7071 BP RNA SYN 13-JUL-1994 +DEFINITION - +TITLE - +FEATURES Location/Qualifiers +ORIGIN +// diff --git a/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus6.gb b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus6.gb index 788073e27f..e624d13660 100644 --- a/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus6.gb +++ b/biojava-core/src/test/resources/org/biojava/nbio/core/sequence/io/uppercase_locus6.gb @@ -1,7 +1,7 @@ -LOCUS ABC12.3_DE 7071 BP -DEFINITION - -KEYWORDS - -SOURCE - -FEATURES Location/Qualifiers -ORIGIN -// +LOCUS ABC12.3_DE 7071 BP +DEFINITION - +KEYWORDS - +SOURCE - +FEATURES Location/Qualifiers +ORIGIN +// From 59e51fdc7920ec142f707bbe642c64905efa8994 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Thu, 2 May 2019 15:18:42 -0700 Subject: [PATCH 043/821] Fixing #837 --- .../sequence/loader/GenbankProxySequenceReaderTest.java | 9 +++++++++ 1 file changed, 9 insertions(+) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java index 2205de4b27..647d86df4d 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/loader/GenbankProxySequenceReaderTest.java @@ -169,6 +169,10 @@ so it should be done here (manualy). Assert.assertTrue(!codedBy.isEmpty()); logger.info("\t\tcoded_by: {}", codedBy); } + + // genbank has limits on requests per second, we need to give it some time for next test or otherwise we get 429 http error codes - JD 2018-12-14 + // See https://github.com/biojava/biojava/issues/837 + Thread.sleep(500); } @Test @@ -207,5 +211,10 @@ public void testProteinSequenceFactoring() throws Exception { } else { logger.info("target {} has no CDS", gi); } + + // genbank has limits on requests per second, we need to give it some time for next test or otherwise we get 429 http error codes - JD 2018-12-14 + // See https://github.com/biojava/biojava/issues/837 + Thread.sleep(500); + } } From f410aa5131840e2713e56e3d902dca87d822d194 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Fri, 3 May 2019 11:53:39 -0700 Subject: [PATCH 044/821] updates MMTF performance --- .../test/io/cif/CifFileConsumerImplTest.java | 21 +++++++++++-------- 1 file changed, 12 insertions(+), 9 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java index 6405fe0f63..2e901872e2 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java @@ -284,36 +284,35 @@ enum Source { * 05/01/19 - ciftools v0.3.0, parallel, bcif, non-gzipped, 12 worker threads * BCIF: 918 s for 151079 structures, 6073 µs per structure, failed for 0 entries * CIF: 2502 s for 151079 structures, 16562 µs per structure, failed for 0 entries + * MMTF: 207 s for 151579 structures, 1367 µs per structure, failed for 0 entries * * 05/02/19 - ciftools v0.3.0, parallel, bcif, non-gzipped for bcif / gzipped for cif, 12 worker threads * BCIF: 35 s for 5000 structures, 6228 µs per structure, failed for 0 entries * CIF: 132 s for 5000 structures, 23902 µs per structure, failed for 0 entries * MMCIF: 310 s for 5000 structures, 52329 µs per structure, failed for 0 entries - * MMTF: 17 s for 5000 fetched structures, 3211 µs per structure, failed for 0 entries + * MMTF: 8 s for 5000 structures, 1729 µs per structure, failed for 0 entries * * CIF parsing using David's tokenizer approach takes roughly half the time. Binary parsing using ciftools takes - * roughly double the time compared to MMTF and should be even more at a disadvantage when MMTF data is stored - * locally. However, MMTF provides almost no metadata. + * roughly double the time compared to MMTF. However, MMTF provides almost no metadata. * * @throws IOException propagated */ @Test @Ignore("ignore long-running test, do run to track performance") public void parseEntireArchive() throws IOException { - // TODO create an objective test case - all local, all/none gzipped, mmtf parses almost no annotation data + // TODO create an objective test case - all/none gzipped, mmtf parses almost no annotation data AtomicInteger counter = new AtomicInteger(0); long start = System.nanoTime(); int chunkSize = 250; List failed = Collections.synchronizedList(new ArrayList<>()); - Source source = Source.CIF; + Source source = Source.MMTF; Path archivePath = null; switch (source) { // change to your own paths case BCIF: archivePath = Paths.get("/var/bcif/"); break; case CIF: case MMCIF: archivePath = Paths.get("/var/pdb/"); break; - // TODO obtain local MMTF archive - for now just pdbIds are obtained and then fetched from the RCSB PDB - case MMTF: archivePath = Paths.get("/var/pdb/"); break; + case MMTF: archivePath = Paths.get("/var/mmtf/"); break; } Files.walk(archivePath) @@ -339,8 +338,11 @@ public void parseEntireArchive() throws IOException { case MMCIF: new MMCIFFileReader().getStructure(new GZIPInputStream(Files.newInputStream(path))); break; case MMTF: - // absolutely not comparable as files are fetched individually - new MMTFFileReader().getStructureById(path.toFile().getName().split("\\.")[0]); break; + GZIPInputStream inputStream = new GZIPInputStream(Files.newInputStream(path)); + new MMTFFileReader().getStructure(inputStream); + // impl does not close stream + inputStream.close(); + break; } } catch (Exception e) { System.err.println("failed for " + path.toFile().getAbsolutePath()); @@ -351,6 +353,7 @@ public void parseEntireArchive() throws IOException { long end = System.nanoTime(); System.out.println((end - start) / 1_000_000_000 + " s"); + System.out.println("processed " + counter.get() + " files"); System.out.println("failed for " + failed.size() + " structures"); System.out.println("failed ids: " + failed); } From 0b59a1080b505fbf380a7e49a53792688e1cc80d Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Tue, 7 May 2019 09:52:12 -0700 Subject: [PATCH 045/821] removes star imports --- .../test/io/cif/CifFileConsumerImplTest.java | 21 ++++- .../test/io/cif/CifFileSupplierImplTest.java | 13 ++- .../nbio/structure/io/BcifFileReader.java | 2 +- .../structure/io/cif/CifFileConsumer.java | 46 ++++++++++- .../structure/io/cif/CifFileConsumerImpl.java | 79 ++++++++++++++++++- .../structure/io/cif/CifFileSupplierImpl.java | 15 +++- .../io/cif/CifFileConsumerImplTest.java | 5 +- 7 files changed, 168 insertions(+), 13 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java index 2e901872e2..cd4abc44a9 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java @@ -1,7 +1,19 @@ package org.biojava.nbio.structure.test.io.cif; -import org.biojava.nbio.structure.*; -import org.biojava.nbio.structure.io.*; +import org.biojava.nbio.structure.Atom; +import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.DBRef; +import org.biojava.nbio.structure.Group; +import org.biojava.nbio.structure.GroupType; +import org.biojava.nbio.structure.PDBHeader; +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.io.BcifFileReader; +import org.biojava.nbio.structure.io.CifFileReader; +import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.LocalPDBDirectory; +import org.biojava.nbio.structure.io.MMCIFFileReader; +import org.biojava.nbio.structure.io.MMTFFileReader; +import org.biojava.nbio.structure.io.PDBFileParser; import org.biojava.nbio.structure.io.cif.CifFileConverter; import org.junit.Ignore; import org.junit.Test; @@ -21,7 +33,10 @@ import java.util.regex.Pattern; import java.util.zip.GZIPInputStream; -import static org.junit.Assert.*; +import static org.junit.Assert.assertNotNull; +import static org.junit.Assert.assertEquals; +import static org.junit.Assert.assertTrue; +import static org.junit.Assert.fail; public class CifFileConsumerImplTest { private static boolean headerOnly; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java index 06c04103ce..dc4ac6e7c6 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java @@ -1,6 +1,17 @@ package org.biojava.nbio.structure.test.io.cif; -import org.biojava.nbio.structure.*; +import org.biojava.nbio.structure.AminoAcidImpl; +import org.biojava.nbio.structure.Atom; +import org.biojava.nbio.structure.AtomImpl; +import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.ChainImpl; +import org.biojava.nbio.structure.Element; +import org.biojava.nbio.structure.EntityInfo; +import org.biojava.nbio.structure.Group; +import org.biojava.nbio.structure.ResidueNumber; +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.StructureImpl; +import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.io.cif.CifFileConverter; import org.junit.Test; import org.rcsb.cif.CifReader; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java index dbccf73a5a..562166fd19 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java @@ -28,7 +28,7 @@ public BcifFileReader() { } /** - * Constructs a new BcifFileReader, initializing the extensions member variable. + * Constructs a new B`FileReader, initializing the extensions member variable. * The path is initialized to the given path, both autoFetch and splitDir are initialized to false. */ public BcifFileReader(String path) { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java index f052be13c5..f969107440 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java @@ -1,6 +1,50 @@ package org.biojava.nbio.structure.io.cif; -import org.rcsb.cif.model.generated.*; +import org.rcsb.cif.model.generated.AtomSite; +import org.rcsb.cif.model.generated.AtomSites; +import org.rcsb.cif.model.generated.AuditAuthor; +import org.rcsb.cif.model.generated.Cell; +import org.rcsb.cif.model.generated.ChemComp; +import org.rcsb.cif.model.generated.ChemCompBond; +import org.rcsb.cif.model.generated.DatabasePDBRemark; +import org.rcsb.cif.model.generated.DatabasePDBRev; +import org.rcsb.cif.model.generated.DatabasePDBRevRecord; +import org.rcsb.cif.model.generated.Entity; +import org.rcsb.cif.model.generated.EntityPoly; +import org.rcsb.cif.model.generated.EntityPolySeq; +import org.rcsb.cif.model.generated.EntitySrcGen; +import org.rcsb.cif.model.generated.EntitySrcNat; +import org.rcsb.cif.model.generated.Exptl; +import org.rcsb.cif.model.generated.PdbxAuditRevisionHistory; +import org.rcsb.cif.model.generated.PdbxChemCompIdentifier; +import org.rcsb.cif.model.generated.PdbxDatabaseStatus; +import org.rcsb.cif.model.generated.PdbxEntityDescriptor; +import org.rcsb.cif.model.generated.PdbxEntitySrcSyn; +import org.rcsb.cif.model.generated.PdbxMolecule; +import org.rcsb.cif.model.generated.PdbxMoleculeFeatures; +import org.rcsb.cif.model.generated.PdbxNonpolyScheme; +import org.rcsb.cif.model.generated.PdbxReferenceEntityLink; +import org.rcsb.cif.model.generated.PdbxReferenceEntityList; +import org.rcsb.cif.model.generated.PdbxReferenceEntityPolyLink; +import org.rcsb.cif.model.generated.PdbxStructAssembly; +import org.rcsb.cif.model.generated.PdbxStructAssemblyGen; +import org.rcsb.cif.model.generated.PdbxStructModResidue; +import org.rcsb.cif.model.generated.PdbxStructOperList; +import org.rcsb.cif.model.generated.Refine; +import org.rcsb.cif.model.generated.Struct; +import org.rcsb.cif.model.generated.StructAsym; +import org.rcsb.cif.model.generated.StructConf; +import org.rcsb.cif.model.generated.StructConn; +import org.rcsb.cif.model.generated.StructConnType; +import org.rcsb.cif.model.generated.StructKeywords; +import org.rcsb.cif.model.generated.StructNcsOper; +import org.rcsb.cif.model.generated.StructRef; +import org.rcsb.cif.model.generated.StructRefSeq; +import org.rcsb.cif.model.generated.StructRefSeqDif; +import org.rcsb.cif.model.generated.StructSheetRange; +import org.rcsb.cif.model.generated.StructSite; +import org.rcsb.cif.model.generated.StructSiteGen; +import org.rcsb.cif.model.generated.Symmetry; /** * Defines a rather generic interface which allows to populate some data structure with data parsed from a CIF file. diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 613c4b24d7..2c47f0f571 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -1,7 +1,34 @@ package org.biojava.nbio.structure.io.cif; -import org.biojava.nbio.structure.*; -import org.biojava.nbio.structure.io.*; +import org.biojava.nbio.structure.AminoAcid; +import org.biojava.nbio.structure.AminoAcidImpl; +import org.biojava.nbio.structure.Atom; +import org.biojava.nbio.structure.AtomImpl; +import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.ChainImpl; +import org.biojava.nbio.structure.DBRef; +import org.biojava.nbio.structure.Element; +import org.biojava.nbio.structure.EntityInfo; +import org.biojava.nbio.structure.EntityType; +import org.biojava.nbio.structure.Group; +import org.biojava.nbio.structure.GroupType; +import org.biojava.nbio.structure.HetatomImpl; +import org.biojava.nbio.structure.NucleotideImpl; +import org.biojava.nbio.structure.PDBCrystallographicInfo; +import org.biojava.nbio.structure.PDBHeader; +import org.biojava.nbio.structure.ResidueNumber; +import org.biojava.nbio.structure.SeqMisMatch; +import org.biojava.nbio.structure.SeqMisMatchImpl; +import org.biojava.nbio.structure.Site; +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureImpl; +import org.biojava.nbio.structure.StructureTools; +import org.biojava.nbio.structure.io.BondMaker; +import org.biojava.nbio.structure.io.ChargeAdder; +import org.biojava.nbio.structure.io.EntityFinder; +import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.SeqRes2AtomAligner; import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; import org.biojava.nbio.structure.io.mmcif.model.DatabasePdbrevRecord; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; @@ -13,7 +40,51 @@ import org.rcsb.cif.model.FloatColumn; import org.rcsb.cif.model.IntColumn; import org.rcsb.cif.model.StrColumn; -import org.rcsb.cif.model.generated.*; +import org.rcsb.cif.model.generated.AtomSite; +import org.rcsb.cif.model.generated.AtomSites; +import org.rcsb.cif.model.generated.AuditAuthor; +import org.rcsb.cif.model.generated.Cell; +import org.rcsb.cif.model.generated.ChemComp; +import org.rcsb.cif.model.generated.ChemCompBond; +import org.rcsb.cif.model.generated.DatabasePDBRemark; +import org.rcsb.cif.model.generated.DatabasePDBRev; +import org.rcsb.cif.model.generated.DatabasePDBRevRecord; +import org.rcsb.cif.model.generated.Entity; +import org.rcsb.cif.model.generated.EntityPoly; +import org.rcsb.cif.model.generated.EntityPolySeq; +import org.rcsb.cif.model.generated.EntitySrcGen; +import org.rcsb.cif.model.generated.EntitySrcNat; +import org.rcsb.cif.model.generated.Exptl; +import org.rcsb.cif.model.generated.PdbxAuditRevisionHistory; +import org.rcsb.cif.model.generated.PdbxChemCompIdentifier; +import org.rcsb.cif.model.generated.PdbxDatabaseStatus; +import org.rcsb.cif.model.generated.PdbxEntityDescriptor; +import org.rcsb.cif.model.generated.PdbxEntitySrcSyn; +import org.rcsb.cif.model.generated.PdbxMolecule; +import org.rcsb.cif.model.generated.PdbxMoleculeFeatures; +import org.rcsb.cif.model.generated.PdbxNonpolyScheme; +import org.rcsb.cif.model.generated.PdbxReferenceEntityLink; +import org.rcsb.cif.model.generated.PdbxReferenceEntityList; +import org.rcsb.cif.model.generated.PdbxReferenceEntityPolyLink; +import org.rcsb.cif.model.generated.PdbxStructAssembly; +import org.rcsb.cif.model.generated.PdbxStructAssemblyGen; +import org.rcsb.cif.model.generated.PdbxStructModResidue; +import org.rcsb.cif.model.generated.PdbxStructOperList; +import org.rcsb.cif.model.generated.Refine; +import org.rcsb.cif.model.generated.Struct; +import org.rcsb.cif.model.generated.StructAsym; +import org.rcsb.cif.model.generated.StructConf; +import org.rcsb.cif.model.generated.StructConn; +import org.rcsb.cif.model.generated.StructConnType; +import org.rcsb.cif.model.generated.StructKeywords; +import org.rcsb.cif.model.generated.StructNcsOper; +import org.rcsb.cif.model.generated.StructRef; +import org.rcsb.cif.model.generated.StructRefSeq; +import org.rcsb.cif.model.generated.StructRefSeqDif; +import org.rcsb.cif.model.generated.StructSheetRange; +import org.rcsb.cif.model.generated.StructSite; +import org.rcsb.cif.model.generated.StructSiteGen; +import org.rcsb.cif.model.generated.Symmetry; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -1168,7 +1239,7 @@ public void finish() { setStructNcsOps(); setCrystallographicInfoMetadata(); - Map> misMatchMap = new HashMap<>(); + Map> misMatchMap = new HashMap<>(); for (int rowIndex = 0; rowIndex < structRefSeqDif.getRowCount(); rowIndex++) { SeqMisMatch seqMisMatch = new SeqMisMatchImpl(); seqMisMatch.setDetails(structRefSeqDif.getDetails().get(rowIndex)); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java index d526b81475..fa3326a134 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java @@ -1,11 +1,22 @@ package org.biojava.nbio.structure.io.cif; -import org.biojava.nbio.structure.*; +import org.biojava.nbio.structure.Atom; +import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.Element; +import org.biojava.nbio.structure.EntityType; +import org.biojava.nbio.structure.Group; +import org.biojava.nbio.structure.GroupType; +import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.xtal.CrystalCell; import org.biojava.nbio.structure.xtal.SpaceGroup; import org.rcsb.cif.model.Category; import org.rcsb.cif.model.CifFile; -import org.rcsb.cif.model.builder.*; +import org.rcsb.cif.model.builder.BlockBuilder; +import org.rcsb.cif.model.builder.CategoryBuilder; +import org.rcsb.cif.model.builder.CifBuilder; +import org.rcsb.cif.model.builder.FloatColumnBuilder; +import org.rcsb.cif.model.builder.IntColumnBuilder; +import org.rcsb.cif.model.builder.StrColumnBuilder; import java.util.ArrayList; import java.util.LinkedHashMap; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java index c1a4fbad7d..530076700f 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java @@ -24,7 +24,10 @@ import java.util.Objects; import java.util.zip.GZIPInputStream; -import static org.junit.Assert.*; +import static org.junit.Assert.assertEquals; +import static org.junit.Assert.assertNotNull; +import static org.junit.Assert.assertSame; +import static org.junit.Assert.assertTrue; public class CifFileConsumerImplTest { /** From 78ed625f8279c92becb846f4073623794f0c0ec6 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Tue, 7 May 2019 10:01:36 -0700 Subject: [PATCH 046/821] should remove formatting issues for files which did not change --- .../nbio/structure/align/util/AtomCache.java | 4 +- .../nbio/structure/io/LocalPDBDirectory.java | 74 +++++++++---------- .../io/mmcif/TestEntityNameAndType.java | 2 +- 3 files changed, 40 insertions(+), 40 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java index 6b9d7a9374..4b7ba3f0fc 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java @@ -606,7 +606,7 @@ public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatab } } boolean alreadyContains = newChain.getAtomGroups().contains(group); // we don't want to add duplicate - // ligands + // ligands if (shouldContain && !alreadyContains) { newChain.addGroup(group); @@ -951,4 +951,4 @@ protected Structure loadStructureFromPdbByPdbId(String pdbId) throws IOException return s; } -} \ No newline at end of file +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java index 1f6cd104b3..61735ecfa6 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java @@ -442,44 +442,44 @@ protected File downloadStructure(String pdbId) throws IOException{ // decide whether download is required File existing = getLocalFile(pdbId); switch(fetchBehavior) { - case LOCAL_ONLY: - if( existing == null ) { - throw new IOException(String.format("Structure %s not found in %s " - + "and configured not to download.",pdbId,getPath())); + case LOCAL_ONLY: + if( existing == null ) { + throw new IOException(String.format("Structure %s not found in %s " + + "and configured not to download.",pdbId,getPath())); + } else { + return existing; + } + case FETCH_FILES: + // Use existing if present + if( existing != null) { + return existing; + } + // existing is null, downloadStructure(String,String,boolean,File) will download it + break; + case FETCH_IF_OUTDATED: + // here existing can be null or not: + // existing == null : downloadStructure(String,String,boolean,File) will download it + // existing != null : downloadStructure(String,String,boolean,File) will check its date and download if older + break; + case FETCH_REMEDIATED: + // Use existing if present and recent enough + if( existing != null) { + long lastModified = existing.lastModified(); + + if (lastModified < LAST_REMEDIATION_DATE) { + // the file is too old, replace with newer version + logger.warn("Replacing file {} with latest remediated (remediation of {}) file from PDB.", + existing, LAST_REMEDIATION_DATE_STRING); + existing = null; + break; } else { return existing; } - case FETCH_FILES: - // Use existing if present - if( existing != null) { - return existing; - } - // existing is null, downloadStructure(String,String,boolean,File) will download it - break; - case FETCH_IF_OUTDATED: - // here existing can be null or not: - // existing == null : downloadStructure(String,String,boolean,File) will download it - // existing != null : downloadStructure(String,String,boolean,File) will check its date and download if older - break; - case FETCH_REMEDIATED: - // Use existing if present and recent enough - if( existing != null) { - long lastModified = existing.lastModified(); - - if (lastModified < LAST_REMEDIATION_DATE) { - // the file is too old, replace with newer version - logger.warn("Replacing file {} with latest remediated (remediation of {}) file from PDB.", - existing, LAST_REMEDIATION_DATE_STRING); - existing = null; - break; - } else { - return existing; - } - } - case FORCE_DOWNLOAD: - // discard the existing file to force redownload - existing = null; // downloadStructure(String,String,boolean,File) will download it - break; + } + case FORCE_DOWNLOAD: + // discard the existing file to force redownload + existing = null; // downloadStructure(String,String,boolean,File) will download it + break; } // Force the download now @@ -521,7 +521,7 @@ private File downloadStructure(String pdbId, String pathOnServer, boolean obsole ftp = CodecUtils.getMmtfEntryUrl(pdbId, true, false); } else { ftp = String.format("%s%s/%s/%s", - serverName, pathOnServer, pdbId.substring(1,3).toLowerCase(), getFilename(pdbId)); + serverName, pathOnServer, pdbId.substring(1,3).toLowerCase(), getFilename(pdbId)); } URL url = new URL(ftp); @@ -771,4 +771,4 @@ protected void initPaths() { * @return A list of directories, relative to the /pub/pdb directory on the server */ protected abstract String[] getObsoleteDirPath(); -} \ No newline at end of file +} diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java index f2236f0e7f..780aad41c4 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java @@ -102,4 +102,4 @@ public void testEntityId() throws IOException, StructureException { } -} \ No newline at end of file +} From 1755a4cf73a3934c71fbb3337ddaab6848f68ecf Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Tue, 7 May 2019 10:09:02 -0700 Subject: [PATCH 047/821] renames tests in integration module --- ...onsumerImplTest.java => CifFileConsumerIntegrationTest.java} | 2 +- ...upplierImplTest.java => CifFileSupplierIntegrationTest.java} | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) rename biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/{CifFileConsumerImplTest.java => CifFileConsumerIntegrationTest.java} (99%) rename biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/{CifFileSupplierImplTest.java => CifFileSupplierIntegrationTest.java} (99%) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerIntegrationTest.java similarity index 99% rename from biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java rename to biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerIntegrationTest.java index cd4abc44a9..e214d4892d 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerIntegrationTest.java @@ -38,7 +38,7 @@ import static org.junit.Assert.assertTrue; import static org.junit.Assert.fail; -public class CifFileConsumerImplTest { +public class CifFileConsumerIntegrationTest { private static boolean headerOnly; private static boolean binary; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java similarity index 99% rename from biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java rename to biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java index dc4ac6e7c6..1a9380a52f 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierImplTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java @@ -27,7 +27,7 @@ import static org.junit.Assert.assertEquals; import static org.junit.Assert.assertNotNull; -public class CifFileSupplierImplTest { +public class CifFileSupplierIntegrationTest { @Test public void test1SMT() throws IOException { // an x-ray structure From 6bba4e1d327ae0bf90a81c5421fb1424b0741060 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Fri, 10 May 2019 17:57:54 -0700 Subject: [PATCH 048/821] cleanup and updates to ciftools 0.4.1 - isolates consumer and converter functions - omits highly specific performance test --- .../cif/CifFileConsumerIntegrationTest.java | 196 ++---------------- .../cif/CifFileSupplierIntegrationTest.java | 26 +-- biojava-structure/pom.xml | 2 +- .../nbio/structure/io/BcifFileReader.java | 5 +- .../nbio/structure/io/CifFileReader.java | 3 +- .../structure/io/cif/CifFileConsumerImpl.java | 42 ++-- .../structure/io/cif/CifFileConverter.java | 122 ++++++++++- .../io/cif/CifFileConsumerImplTest.java | 11 +- 8 files changed, 174 insertions(+), 233 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerIntegrationTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerIntegrationTest.java index e214d4892d..9101ee5524 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerIntegrationTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileConsumerIntegrationTest.java @@ -11,32 +11,14 @@ import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.LocalPDBDirectory; -import org.biojava.nbio.structure.io.MMCIFFileReader; -import org.biojava.nbio.structure.io.MMTFFileReader; import org.biojava.nbio.structure.io.PDBFileParser; -import org.biojava.nbio.structure.io.cif.CifFileConverter; -import org.junit.Ignore; import org.junit.Test; -import org.rcsb.cif.CifReader; import java.io.IOException; import java.io.InputStream; -import java.io.UncheckedIOException; -import java.nio.file.Files; -import java.nio.file.Path; -import java.nio.file.Paths; -import java.util.ArrayList; -import java.util.Collections; -import java.util.Date; import java.util.List; -import java.util.concurrent.atomic.AtomicInteger; -import java.util.regex.Pattern; -import java.util.zip.GZIPInputStream; -import static org.junit.Assert.assertNotNull; -import static org.junit.Assert.assertEquals; -import static org.junit.Assert.assertTrue; -import static org.junit.Assert.fail; +import static org.junit.Assert.*; public class CifFileConsumerIntegrationTest { private static boolean headerOnly; @@ -70,29 +52,29 @@ public void testLoadHeaderOnlyBinary() throws IOException { private void doTestLoad() throws IOException { // test a simple protein - comparePDB2cif("5pti","A"); + comparePDB2cif("5pti", "A"); // test a protein with modified residues - comparePDB2cif("1a4w","L"); - comparePDB2cif("1a4w","H"); - comparePDB2cif("1a4w","I"); + comparePDB2cif("1a4w", "L"); + comparePDB2cif("1a4w", "H"); + comparePDB2cif("1a4w", "I"); //non-standard encoded amino acid - comparePDB2cif("1fdo","A"); + comparePDB2cif("1fdo", "A"); // test a DNA binding protein - comparePDB2cif("1j59","A"); - comparePDB2cif("1j59","E"); + comparePDB2cif("1j59", "A"); + comparePDB2cif("1j59", "E"); // test a NMR protein - comparePDB2cif("2kc9","A"); + comparePDB2cif("2kc9", "A"); } private void comparePDB2cif(String id, String chainId) throws IOException { String fileName = binary ? "/" + id + ".bcif" : "/" + id + ".cif"; System.out.println(fileName); InputStream inStream = getClass().getResourceAsStream(fileName); - assertNotNull("Could not find file " + fileName + ". Config problem?" , inStream); + assertNotNull("Could not find file " + fileName + ". Config problem?", inStream); LocalPDBDirectory reader = binary ? new BcifFileReader() : new CifFileReader(); @@ -120,7 +102,7 @@ private void comparePDB2cif(String id, String chainId) throws IOException { pdbStructure.isNmr(), cifStructure.isNmr()); - if (pdbStructure.isNmr()){ + if (pdbStructure.isNmr()) { assertEquals(id + ": the nr of NMR models is not the same!", pdbStructure.nrModels(), pdbStructure.nrModels()); @@ -143,7 +125,7 @@ private void comparePDB2cif(String id, String chainId) throws IOException { a_cif.getAtomGroups(GroupType.AMINOACID).size()); // actually this check not necessarily works, since there can be waters in PDB that we don;t deal with yet in cif... - for (int i = 0 ; i < a_pdb.getAtomGroups(GroupType.AMINOACID).size(); i++){ + for (int i = 0; i < a_pdb.getAtomGroups(GroupType.AMINOACID).size(); i++) { Group gp = a_pdb.getAtomGroups(GroupType.AMINOACID).get(i); List cifGroups = a_cif.getAtomGroups(GroupType.AMINOACID); Group gc = cifGroups.get(i); @@ -155,8 +137,8 @@ private void comparePDB2cif(String id, String chainId) throws IOException { assertEquals("the sequences obtained from PDB and mmCif don't match!", pdb_seq, cif_seq); - List pdb_dbrefs= pdbStructure.getDBRefs(); - List cif_dbrefs= cifStructure.getDBRefs(); + List pdb_dbrefs = pdbStructure.getDBRefs(); + List cif_dbrefs = cifStructure.getDBRefs(); assertEquals("nr of DBrefs found does not match!", pdb_dbrefs.size(), cif_dbrefs.size()); @@ -180,7 +162,7 @@ private void comparePDB2cif(String id, String chainId) throws IOException { h2.toPDB().toUpperCase()); } - private void checkGroups(Group g1, Group g2){ + private void checkGroups(Group g1, Group g2) { String pdbId1 = g1.getChain().getStructure().getPDBCode(); String pdbId2 = g1.getChain().getStructure().getPDBCode(); assertEquals(pdbId1, pdbId2); @@ -192,8 +174,8 @@ private void checkGroups(Group g1, Group g2){ assertEquals(g1.has3D(), g2.has3D()); assertEquals(g1.hasAltLoc(), g2.hasAltLoc()); - assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":"+ g2, g1.getAltLocs().size(), g2.getAltLocs().size()); - assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":"+ g2, g1.getAtoms().size(), g2.getAtoms().size()); + assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":" + g2, g1.getAltLocs().size(), g2.getAltLocs().size()); + assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2 + ":" + g2, g1.getAtoms().size(), g2.getAtoms().size()); if (g1.has3D()) { Atom a1 = g1.getAtom(0); @@ -204,7 +186,7 @@ private void checkGroups(Group g1, Group g2){ if (a2 == null) { fail("could not get atom for group " + g2); } - assertEquals(a1.getX(),a2.getX(), 0.0001); + assertEquals(a1.getX(), a2.getX(), 0.0001); assertEquals(a1.getOccupancy(), a2.getOccupancy(), 0.0001); assertEquals(a1.getTempFactor(), a2.getTempFactor(), 0.0001); assertEquals(a1.getName(), a2.getName()); @@ -218,12 +200,12 @@ private void checkNMR(Structure s) { List model0 = s.getModel(0); // compare with all others - for (int i = 1 ; i < models; i++){ + for (int i = 1; i < models; i++) { List modelX = s.getModel(i); assertEquals(model0.size(), modelX.size()); // compare lengths: - for (int j = 0 ; j < model0.size(); j++){ + for (int j = 0; j < model0.size(); j++) { Chain c1 = model0.get(j); Chain cx = modelX.get(j); assertEquals(c1.getAtomLength(), cx.getAtomLength()); @@ -234,142 +216,4 @@ private void checkNMR(Structure s) { } } } - - /** - * There were issues when parsing files in parallel using SimpleDateFormat. The culprit are not the actual files, - * but rather the parallel execution. No problems spotted by this test, run for whole archive is now flawless after - * dropping SimpleDateFormat for date parsing. - */ - @Test - @Ignore("ignored for now as Bcif file source may change - currently using local files") - public void testFailingEntries() { - Pattern.compile(", ").splitAsStream("4he8, 1z4u, 4fp1, 1blc, 4cit, 2y2y, 4exq, 2n0f, 2d9o, 2v16, 1kqv, " + - "1bwo, 2k2g, 1qhd, 5mhj, 2dn3, 5pq8, 5cay, 6ms1, 2vhu, 2gi0, 3swe, 3daz, 5yel, 2pxp, 4uis, 3cs1, 3in5," + - " 1sl3, 4hjc, 3hj2, 5kpi, 1gyq, 1yq8, 4yqz, 1ox3, 2pls, 1vne, 4q02, 1dtt, 1jau, 5h3b, 5sxk, 4el7, 5q7w," + - " 4zuz, 1n6i, 1dhg, 3dhe, 2gpo, 5if7, 5ld8, 1jhz, 4fr3, 1r6u, 3hdl, 5fse, 1iho, 1t10, 2oc6, 3czx, 3b3o," + - " 5i6w, 2ecv, 4l2x, 441d, 2i0x, 1xq4, 3tbb, 4mmz, 1qew, 6i16, 1t8d, 5w7r, 6gm1, 1s7u, 2qp3, 1cf3, 4myb," + - " 1omh, 1zog, 2b68, 1nqb, 1t7k") - .parallel() - .forEach(pdbId -> { - System.out.println(pdbId); - Structure cif = loadLocalCif(pdbId); - assertNumberFormat(cif); - Structure bcif = loadLocalBcif(pdbId); - assertNumberFormat(bcif); - }); - } - - private Structure loadLocalCif(String pdbId) { - try { - String middle = pdbId.substring(1, 3); - return CifFileConverter.convert(CifReader.readText(new GZIPInputStream(Files.newInputStream(Paths.get("/var/pdb/" + middle + "/" + pdbId + ".cif.gz"))))); - } catch (IOException e) { - throw new UncheckedIOException(e); - } - } - - private Structure loadLocalBcif(String pdbId) { - try { - String middle = pdbId.substring(1, 3); - return CifFileConverter.convert(CifReader.readBinary(Files.newInputStream(Paths.get("/var/bcif/" + middle + "/" + pdbId + ".bcif")))); - } catch (IOException e) { - throw new UncheckedIOException(e); - } - } - - private void assertNumberFormat(Structure structure) { - PDBHeader header = structure.getPDBHeader(); - assertNotNull(header); - Date relDate = header.getRelDate(); - assertNotNull(relDate); - Date modDate = header.getModDate(); - assertNotNull(modDate); - } - - enum Source { - BCIF, // binary cif using ciftools - CIF, // mmCIF using ciftools - MMCIF, // mmCIF using BioJava impl - MMTF // mmtf using BioJava impl - } - - /** - * Performance diary; - * - * 05/01/19 - ciftools v0.3.0, parallel, bcif, non-gzipped, 12 worker threads - * BCIF: 918 s for 151079 structures, 6073 µs per structure, failed for 0 entries - * CIF: 2502 s for 151079 structures, 16562 µs per structure, failed for 0 entries - * MMTF: 207 s for 151579 structures, 1367 µs per structure, failed for 0 entries - * - * 05/02/19 - ciftools v0.3.0, parallel, bcif, non-gzipped for bcif / gzipped for cif, 12 worker threads - * BCIF: 35 s for 5000 structures, 6228 µs per structure, failed for 0 entries - * CIF: 132 s for 5000 structures, 23902 µs per structure, failed for 0 entries - * MMCIF: 310 s for 5000 structures, 52329 µs per structure, failed for 0 entries - * MMTF: 8 s for 5000 structures, 1729 µs per structure, failed for 0 entries - * - * CIF parsing using David's tokenizer approach takes roughly half the time. Binary parsing using ciftools takes - * roughly double the time compared to MMTF. However, MMTF provides almost no metadata. - * - * @throws IOException propagated - */ - @Test - @Ignore("ignore long-running test, do run to track performance") - public void parseEntireArchive() throws IOException { - // TODO create an objective test case - all/none gzipped, mmtf parses almost no annotation data - AtomicInteger counter = new AtomicInteger(0); - long start = System.nanoTime(); - int chunkSize = 250; - List failed = Collections.synchronizedList(new ArrayList<>()); - - Source source = Source.MMTF; - Path archivePath = null; - switch (source) { - // change to your own paths - case BCIF: archivePath = Paths.get("/var/bcif/"); break; - case CIF: case MMCIF: archivePath = Paths.get("/var/pdb/"); break; - case MMTF: archivePath = Paths.get("/var/mmtf/"); break; - } - - Files.walk(archivePath) - .parallel() - // either process whole archive or limit to some number of structures -// .limit(5000) - .filter(path -> !Files.isDirectory(path)) - .forEach(path -> { - int count = counter.incrementAndGet(); - if (count % chunkSize == 0) { - long end_chunk = System.nanoTime(); - System.out.println("[" + count + "] @ " + (((end_chunk - start) / - 1_000 / count) + " µs per structure")); - } - - try { - // the work is to obtain the CifFile instance and convert into a BioJava structure - switch (source) { - case BCIF: - CifFileConverter.convert(CifReader.readBinary(Files.newInputStream(path))); break; - case CIF: - CifFileConverter.convert(CifReader.readText(new GZIPInputStream(Files.newInputStream(path)))); break; - case MMCIF: - new MMCIFFileReader().getStructure(new GZIPInputStream(Files.newInputStream(path))); break; - case MMTF: - GZIPInputStream inputStream = new GZIPInputStream(Files.newInputStream(path)); - new MMTFFileReader().getStructure(inputStream); - // impl does not close stream - inputStream.close(); - break; - } - } catch (Exception e) { - System.err.println("failed for " + path.toFile().getAbsolutePath()); - e.printStackTrace(); - failed.add(path.toFile().getName().split("\\.")[0]); - } - }); - - long end = System.nanoTime(); - System.out.println((end - start) / 1_000_000_000 + " s"); - System.out.println("processed " + counter.get() + " files"); - System.out.println("failed for " + failed.size() + " structures"); - System.out.println("failed ids: " + failed); - } } \ No newline at end of file diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java index 1a9380a52f..03e2f6f060 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java @@ -14,14 +14,11 @@ import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.io.cif.CifFileConverter; import org.junit.Test; -import org.rcsb.cif.CifReader; -import org.rcsb.cif.CifWriter; -import java.io.File; -import java.io.FileWriter; +import java.io.ByteArrayInputStream; import java.io.IOException; +import java.io.InputStream; import java.net.URL; -import java.nio.file.Files; import java.util.Arrays; import static org.junit.Assert.assertEquals; @@ -51,18 +48,11 @@ public void test1A2C() throws IOException { } private static void testRoundTrip(String pdbId) throws IOException { - Structure originalStruct = CifFileConverter.convert(CifReader.readText(new URL("https://files.rcsb.org/download/" + pdbId - + ".cif").openStream())); + URL url = new URL("https://files.rcsb.org/download/" + pdbId + ".cif"); + Structure originalStruct = CifFileConverter.fromURL(url); - File outputFile = File.createTempFile("biojava_testing_", ".cif"); - outputFile.deleteOnExit(); - - FileWriter fw = new FileWriter(outputFile); - String cif = CifWriter.composeText(CifFileConverter.convert(originalStruct)); - fw.write(cif); - fw.close(); - - Structure readStruct = CifFileConverter.convert(CifReader.readText(Files.newInputStream(outputFile.toPath()))); + InputStream inputStream = new ByteArrayInputStream(CifFileConverter.toText(originalStruct).getBytes()); + Structure readStruct = CifFileConverter.fromInputStream(inputStream); assertNotNull(readStruct); assertEquals(originalStruct.getChains().size(), readStruct.getChains().size()); @@ -121,9 +111,9 @@ private static void testRoundTrip(String pdbId) throws IOException { * can be written out correctly. */ @Test - public void testBiounitWriting() { + public void testBiounitWriting() throws IOException { Structure s = createDummyStructure(); - String mmcif = CifWriter.composeText(CifFileConverter.convert(s)); + String mmcif = CifFileConverter.toText(s); String[] lines = mmcif.split("\n"); long atomLines = Arrays.stream(lines).filter(l -> l.startsWith("ATOM")).count(); assertNotNull(mmcif); diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index 26fbdec05d..db9ed8f926 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -21,7 +21,7 @@ org.rcsb ciftools-java - 0.3.0 + 0.4.1 org.rcsb diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java index 562166fd19..a01bb06404 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java @@ -3,7 +3,6 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.align.util.UserConfiguration; import org.biojava.nbio.structure.io.cif.CifFileConverter; -import org.rcsb.cif.CifReader; import java.io.IOException; import java.io.InputStream; @@ -28,7 +27,7 @@ public BcifFileReader() { } /** - * Constructs a new B`FileReader, initializing the extensions member variable. + * Constructs a new BcifFileReader, initializing the extensions member variable. * The path is initialized to the given path, both autoFetch and splitDir are initialized to false. */ public BcifFileReader(String path) { @@ -39,7 +38,7 @@ public BcifFileReader(String path) { @Override public Structure getStructure(InputStream inStream) throws IOException { - return CifFileConverter.convert(CifReader.readBinary(inStream), getFileParsingParameters()); + return CifFileConverter.fromInputStream(inStream, getFileParsingParameters()); } @Override diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java index fd47825c8b..19e61c3413 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java @@ -3,7 +3,6 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.align.util.UserConfiguration; import org.biojava.nbio.structure.io.cif.CifFileConverter; -import org.rcsb.cif.CifReader; import java.io.IOException; import java.io.InputStream; @@ -41,7 +40,7 @@ public CifFileReader(String path) { @Override public Structure getStructure(InputStream inStream) throws IOException{ - return CifFileConverter.convert(CifReader.readText(inStream), getFileParsingParameters()); + return CifFileConverter.fromInputStream(inStream, getFileParsingParameters()); } @Override diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 2c47f0f571..644822fd62 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -457,20 +457,20 @@ public void consumeAtomSites(AtomSites atomSites) { try { parsedScaleMatrix = new Matrix4d( - atomSites.getFractTransfMatrix11().get(), - atomSites.getFractTransfMatrix12().get(), - atomSites.getFractTransfMatrix13().get(), - atomSites.getFractTransfVector1().get(), + atomSites.getFractTransfMatrix11().get(0), + atomSites.getFractTransfMatrix12().get(0), + atomSites.getFractTransfMatrix13().get(0), + atomSites.getFractTransfVector1().get(0), - atomSites.getFractTransfMatrix21().get(), - atomSites.getFractTransfMatrix22().get(), - atomSites.getFractTransfMatrix23().get(), - atomSites.getFractTransfVector2().get(), + atomSites.getFractTransfMatrix21().get(0), + atomSites.getFractTransfMatrix22().get(0), + atomSites.getFractTransfMatrix23().get(0), + atomSites.getFractTransfVector2().get(0), - atomSites.getFractTransfMatrix31().get(), - atomSites.getFractTransfMatrix32().get(), - atomSites.getFractTransfMatrix33().get(), - atomSites.getFractTransfVector3().get(), + atomSites.getFractTransfMatrix31().get(0), + atomSites.getFractTransfMatrix32().get(0), + atomSites.getFractTransfMatrix33().get(0), + atomSites.getFractTransfVector3().get(0), 0, 0, @@ -530,12 +530,12 @@ public void consumeCell(Cell cell) { } try { - float a = (float) cell.getLengthA().get(); - float b = (float) cell.getLengthB().get(); - float c = (float) cell.getLengthC().get(); - float alpha = (float) cell.getAngleAlpha().get(); - float beta = (float) cell.getAngleBeta().get(); - float gamma = (float) cell.getAngleGamma().get(); + float a = (float) cell.getLengthA().get(0); + float b = (float) cell.getLengthB().get(0); + float c = (float) cell.getLengthC().get(0); + float alpha = (float) cell.getAngleAlpha().get(0); + float beta = (float) cell.getAngleBeta().get(0); + float gamma = (float) cell.getAngleGamma().get(0); CrystalCell crystalCell = new CrystalCell(); crystalCell.setA(a); @@ -869,12 +869,12 @@ public void consumeRefine(Refine refine) { @Override public void consumeStruct(Struct struct) { if (struct.isDefined() && struct.getTitle().isDefined()) { - pdbHeader.setTitle(struct.getTitle().get()); + pdbHeader.setTitle(struct.getTitle().get(0)); } if (struct.isDefined() && struct.getEntryId().isDefined()) { - pdbHeader.setIdCode(struct.getEntryId().get()); - structure.setPDBCode(struct.getEntryId().get()); + pdbHeader.setIdCode(struct.getEntryId().get(0)); + structure.setPDBCode(struct.getEntryId().get(0)); } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java index d1928aafde..fb26bb9b9e 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java @@ -2,18 +2,90 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.io.FileParsingParameters; +import org.rcsb.cif.CifIO; import org.rcsb.cif.model.Block; import org.rcsb.cif.model.CifFile; +import java.io.IOException; +import java.io.InputStream; +import java.net.URL; +import java.nio.file.Files; +import java.nio.file.Path; + /** * Convert BioJava structures to CifFiles and vice versa. */ public class CifFileConverter { /** - * @see CifFileConverter#convert(CifFile, FileParsingParameters) + * Read data from a file and convert to Structure without any FileParsingParameters. + * @param path the source of information - can be gzipped or binary or text data + * @return the target + */ + public static Structure fromPath(Path path) throws IOException { + return fromInputStream(Files.newInputStream(path), new FileParsingParameters()); + } + + /** + * Read data from a file and convert to Structure. + * @param path the source of information - can be gzipped or binary or text data + * @param parameters parameters for parsing + * @return the target + */ + public static Structure fromPath(Path path, FileParsingParameters parameters) throws IOException { + return fromInputStream(Files.newInputStream(path), parameters); + } + + /** + * Get data from a URL and convert to Structure without any FileParsingParameters. + * @param url the source of information - can be gzipped or binary or text data + * @return the target + * @throws IOException thrown when reading fails + */ + public static Structure fromURL(URL url) throws IOException { + return fromURL(url, new FileParsingParameters()); + } + + /** + * Get data from a URL and convert to Structure. + * @param url the source of information - can be gzipped or binary or text data + * @param parameters parameters for parsing + * @return the target + * @throws IOException thrown when reading fails + */ + private static Structure fromURL(URL url, FileParsingParameters parameters) throws IOException { + return fromInputStream(url.openStream(), parameters); + } + + /** + * Convert InputStream to Structure without any FileParsingParameters. + * @param inputStream the InputStream of information - can be gzipped or binary or text data + * @return the target + * @throws IOException thrown when reading fails + * @see CifFileConverter#fromInputStream(InputStream, FileParsingParameters) + */ + public static Structure fromInputStream(InputStream inputStream) throws IOException { + return fromInputStream(inputStream, new FileParsingParameters()); + } + + /** + * Convert InputStream to Structure. + * @param inputStream the InputStream of information - can be gzipped or binary or text data + * @param parameters parameters for parsing + * @return the target + * @throws IOException thrown when reading fails + */ + public static Structure fromInputStream(InputStream inputStream, FileParsingParameters parameters) throws IOException { + return fromCifFile(CifIO.readFromInputStream(inputStream), parameters); + } + + /** + * Convert CifFile to Structure without any FileParsingParameters. + * @param cifFile the source + * @return the target + * @see CifFileConverter#fromCifFile(CifFile, FileParsingParameters) */ - public static Structure convert(CifFile cifFile) { - return convert(cifFile, new FileParsingParameters()); + public static Structure fromCifFile(CifFile cifFile) { + return fromCifFile(cifFile, new FileParsingParameters()); } /** @@ -22,7 +94,7 @@ public static Structure convert(CifFile cifFile) { * @param parameters parameters for parsing * @return the target */ - public static Structure convert(CifFile cifFile, FileParsingParameters parameters) { + public static Structure fromCifFile(CifFile cifFile, FileParsingParameters parameters) { // initialize consumer CifFileConsumer consumer = new CifFileConsumerImpl(parameters); @@ -84,12 +156,52 @@ public static Structure convert(CifFile cifFile, FileParsingParameters parameter return consumer.getContainer(); } + /** + * Write a structure to a CIF file. + * @param structure the source + * @param path where to write to + * @throws IOException thrown when writing fails + */ + public static void toTextFile(Structure structure, Path path) throws IOException { + CifIO.writeText(toCifFile(structure), path); + } + + /** + * Write a structure to a BCIF file. + * @param structure the source + * @param path where to write to + * @throws IOException thrown when writing fails + */ + public static void toBinaryFile(Structure structure, Path path) throws IOException { + CifIO.writeBinary(toCifFile(structure), path); + } + + /** + * Convert a structure to BCIF format. + * @param structure the source + * @return the binary representation of the structure + * @throws IOException thrown when writing fails + */ + public static byte[] toBinary(Structure structure) throws IOException { + return CifIO.writeText(toCifFile(structure)); + } + + /** + * Convert a structure to mmCIF format. + * @param structure the source + * @return the mmCIF String representation of the structure + * @throws IOException thrown when writing fails + */ + public static String toText(Structure structure) throws IOException { + return new String(CifIO.writeText(toCifFile(structure))); + } + /** * Convert Structure to CifFile. * @param structure the source * @return the target */ - public static CifFile convert(Structure structure) { + public static CifFile toCifFile(Structure structure) { return new CifFileSupplierImpl().get(structure); } } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java index 530076700f..84d23a875e 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java @@ -8,7 +8,7 @@ import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileParser; import org.junit.Test; -import org.rcsb.cif.CifReader; +import org.rcsb.cif.CifIO; import org.rcsb.cif.model.CifFile; import org.rcsb.cif.model.Column; import org.rcsb.cif.model.ValueKind; @@ -24,10 +24,7 @@ import java.util.Objects; import java.util.zip.GZIPInputStream; -import static org.junit.Assert.assertEquals; -import static org.junit.Assert.assertNotNull; -import static org.junit.Assert.assertSame; -import static org.junit.Assert.assertTrue; +import static org.junit.Assert.*; public class CifFileConsumerImplTest { /** @@ -213,13 +210,13 @@ public void specialCases() throws IOException { "7 1S32 . D . GB 30268542 MET 1 'INTIATING METHIONINE' ? ? 7\n"+ "8 1S32 . H . GB 30268542 MET 1 'INTIATING METHIONINE' ? ? 8\n" + "#" ; - CifFile cifFile = CifReader.readText(new ByteArrayInputStream(mmcifStr.getBytes())); + CifFile cifFile = CifIO.readFromInputStream(new ByteArrayInputStream(mmcifStr.getBytes())); Column column = cifFile.getFirstBlock().getCategory("struct_ref_seq_dif").getColumn("seq_num"); assertNotNull(column); assertTrue(column.isDefined()); assertEquals(8, column.getRowCount()); column.valueKinds().forEach(vk -> assertEquals(ValueKind.NOT_PRESENT, vk)); - column.getStringData().forEach(sd -> assertTrue(sd.isEmpty())); + column.stringData().forEach(sd -> assertTrue(sd.isEmpty())); } } \ No newline at end of file From 0e2acb66ed470df677d2c3e8e394d9935a34e8d8 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Fri, 10 May 2019 18:02:03 -0700 Subject: [PATCH 049/821] updates version tag in files --- .../main/java/org/biojava/nbio/structure/io/BcifFileReader.java | 2 +- .../main/java/org/biojava/nbio/structure/io/CifFileReader.java | 2 +- .../java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java | 2 +- .../org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java | 2 +- .../org/biojava/nbio/structure/io/cif/CifFileConverter.java | 2 ++ .../java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java | 2 +- .../org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java | 2 +- 7 files changed, 8 insertions(+), 6 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java index a01bb06404..f0325b5b3e 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java @@ -10,7 +10,7 @@ /** * Parse binary Cif files and provide capabilities to store them locally. * @author Sebastian Bittrich - * @since 5.2.1 + * @since 5.3.0 */ public class BcifFileReader extends LocalPDBDirectory { public static final String[] CIF_SPLIT_DIR = new String[] { "data", "structures", "divided", "bcif" }; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java index 19e61c3413..a5977931c2 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java @@ -10,7 +10,7 @@ /** * Parse text Cif files and provide capabilities to store them locally. * @author Sebastian Bittrich - * @since 5.2.1 + * @since 5.3.0 */ public class CifFileReader extends LocalPDBDirectory { public static final String[] CIF_SPLIT_DIR = new String[] { "data", "structures", "divided", "mmCIF" }; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java index f969107440..0a0c0e3fb5 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java @@ -51,7 +51,7 @@ * * @param the type of container an implementing class will return * @author Sebastian Bittrich - * @since 5.2.1 + * @since 5.3.0 */ interface CifFileConsumer { /** diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 644822fd62..66e2b6be04 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -106,7 +106,7 @@ * all internally used model classes are generated from the MMCIF schema and a standardized interface to CifFile data is * provided. This allows to readily parse files in CIF format as well as binary CIF (BCIF) format. * @author Sebastian Bittrich - * @since 5.2.1 + * @since 5.3.0 */ class CifFileConsumerImpl implements CifFileConsumer { private static final Logger logger = LoggerFactory.getLogger(CifFileConsumerImpl.class); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java index fb26bb9b9e..672e618613 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java @@ -14,6 +14,8 @@ /** * Convert BioJava structures to CifFiles and vice versa. + * @author Sebastian Bittrich + * @since 5.3.0 */ public class CifFileConverter { /** diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java index 20c20062d7..a4fcbe4c90 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java @@ -6,7 +6,7 @@ * Create a CifFile instance for a given container of structure data. * @param the container type used as source * @author Sebastian Bittrich - * @since 5.2.1 + * @since 5.3.0 */ interface CifFileSupplier { /** diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java index fa3326a134..71bf2ef4ba 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java @@ -28,7 +28,7 @@ /** * Convert a BioJava {@link Structure} to a CifFile. * @author Sebastian Bittrich - * @since 5.2.1 + * @since 5.3.0 */ class CifFileSupplierImpl implements CifFileSupplier { @Override From 196e0c55abdb38893c15f47352fa4b48499b65d8 Mon Sep 17 00:00:00 2001 From: Sebastian Bittrich Date: Mon, 13 May 2019 09:46:36 -0700 Subject: [PATCH 050/821] replaces hard-coded category and column names during cif building --- .../structure/io/cif/CifFileSupplierImpl.java | 140 +++++++++--------- 1 file changed, 70 insertions(+), 70 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java index 71bf2ef4ba..9d839de4f2 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java @@ -145,7 +145,7 @@ static class WrappedAtom { private final Atom atom; private final int atomId; - public WrappedAtom(Chain chain, int model, String chainName, String chainId, Atom atom, int atomId) { + WrappedAtom(Chain chain, int model, String chainName, String chainId, Atom atom, int atomId) { this.chain = chain; this.model = model; this.chainName = chainName; @@ -154,27 +154,27 @@ public WrappedAtom(Chain chain, int model, String chainName, String chainId, Ato this.atomId = atomId; } - public Chain getChain() { + Chain getChain() { return chain; } - public int getModel() { + int getModel() { return model; } - public String getChainName() { + String getChainName() { return chainName; } - public String getChainId() { + String getChainId() { return chainId; } - public Atom getAtom() { + Atom getAtom() { return atom; } - public int getAtomId() { + int getAtomId() { return atomId; } } @@ -187,49 +187,50 @@ public int getAtomId() { } static class AtomSiteCollector implements Consumer { - private final StrColumnBuilder groupPDB; - private final IntColumnBuilder id; - private final StrColumnBuilder typeSymbol; - private final StrColumnBuilder labelAtomId; - private final StrColumnBuilder labelAltId; - private final StrColumnBuilder labelCompId; - private final StrColumnBuilder labelAsymId; - private final StrColumnBuilder labelEntityId; - private final IntColumnBuilder labelSeqId; - private final StrColumnBuilder pdbxPDBInsCode; - private final FloatColumnBuilder cartnX; - private final FloatColumnBuilder cartnY; - private final FloatColumnBuilder cartnZ; - private final FloatColumnBuilder occupancy; - private final FloatColumnBuilder bIsoOrEquiv; - private final IntColumnBuilder authSeqId; - private final StrColumnBuilder authCompId; - private final StrColumnBuilder authAsymId; - private final StrColumnBuilder authAtomId; - private final IntColumnBuilder pdbxPDBModelNum; + private final CategoryBuilder.AtomSiteBuilder atomSiteBuilder; + private final StrColumnBuilder groupPDB; + private final IntColumnBuilder id; + private final StrColumnBuilder typeSymbol; + private final StrColumnBuilder labelAtomId; + private final StrColumnBuilder labelAltId; + private final StrColumnBuilder labelCompId; + private final StrColumnBuilder labelAsymId; + private final StrColumnBuilder labelEntityId; + private final IntColumnBuilder labelSeqId; + private final StrColumnBuilder pdbxPDBInsCode; + private final FloatColumnBuilder cartnX; + private final FloatColumnBuilder cartnY; + private final FloatColumnBuilder cartnZ; + private final FloatColumnBuilder occupancy; + private final FloatColumnBuilder bIsoOrEquiv; + private final IntColumnBuilder authSeqId; + private final StrColumnBuilder authCompId; + private final StrColumnBuilder authAsymId; + private final StrColumnBuilder authAtomId; + private final IntColumnBuilder pdbxPDBModelNum; AtomSiteCollector() { - // TODO this doesn't really make the case for the builder ;) - this.groupPDB = new StrColumnBuilder<>("atom_site", "group_PDB", null); - this.id = new IntColumnBuilder<>("atom_site", "id", null); - this.typeSymbol = new StrColumnBuilder<>("atom_site", "type_symbol", null); - this.labelAtomId = new StrColumnBuilder<>("atom_site", "label_atom_id", null); - this.labelAltId = new StrColumnBuilder<>("atom_site", "label_alt_id", null); - this.labelCompId = new StrColumnBuilder<>("atom_site", "label_comp_id", null); - this.labelAsymId = new StrColumnBuilder<>("atom_site", "label_asym_id", null); - this.labelEntityId = new StrColumnBuilder<>("atom_site", "label_entity_id", null); - this.labelSeqId = new IntColumnBuilder<>("atom_site", "label_seq_id", null); - this.pdbxPDBInsCode = new StrColumnBuilder<>("atom_site", "pdbx_PDB_ins_code", null); - this.cartnX = new FloatColumnBuilder<>("atom_site", "Cartn_x", null); - this.cartnY = new FloatColumnBuilder<>("atom_site", "Cartn_y", null); - this.cartnZ = new FloatColumnBuilder<>("atom_site", "Cartn_z", null); - this.occupancy = new FloatColumnBuilder<>("atom_site", "occupancy", null); - this.bIsoOrEquiv = new FloatColumnBuilder<>("atom_site", "B_iso_or_equiv", null); - this.authSeqId = new IntColumnBuilder<>("atom_site", "auth_seq_id", null); - this.authCompId = new StrColumnBuilder<>("atom_site", "auth_comp_id", null); - this.authAsymId = new StrColumnBuilder<>("atom_site", "auth_asym_id", null); - this.authAtomId = new StrColumnBuilder<>("atom_site", "auth_atom_id", null); - this.pdbxPDBModelNum = new IntColumnBuilder<>("atom_site", "pdbx_PDB_model_num", null); + this.atomSiteBuilder = new CategoryBuilder.AtomSiteBuilder(null); + this.groupPDB = atomSiteBuilder.enterGroupPDB(); + this.id = atomSiteBuilder.enterId(); + this.typeSymbol = atomSiteBuilder.enterTypeSymbol(); + this.labelAtomId = atomSiteBuilder.enterLabelAtomId(); + this.labelAltId = atomSiteBuilder.enterLabelAltId(); + this.labelCompId = atomSiteBuilder.enterLabelCompId(); + this.labelAsymId = atomSiteBuilder.enterLabelAsymId(); + this.labelEntityId = atomSiteBuilder.enterLabelEntityId(); + this.labelSeqId = atomSiteBuilder.enterLabelSeqId(); + this.pdbxPDBInsCode = atomSiteBuilder.enterPdbxPDBInsCode(); + this.cartnX = atomSiteBuilder.enterCartnX(); + this.cartnY = atomSiteBuilder.enterCartnY(); + this.cartnZ = atomSiteBuilder.enterCartnZ(); + this.occupancy = atomSiteBuilder.enterOccupancy(); + this.bIsoOrEquiv = atomSiteBuilder.enterBIsoOrEquiv(); + this.authSeqId = atomSiteBuilder.enterAuthSeqId(); + this.authCompId = atomSiteBuilder.enterAuthCompId(); + this.authAsymId = atomSiteBuilder.enterAuthAsymId(); + this.authAtomId = atomSiteBuilder.enterAuthAtomId(); + this.pdbxPDBModelNum = atomSiteBuilder.enterPdbxPDBModelNum(); } @Override @@ -289,28 +290,27 @@ AtomSiteCollector combine(AtomSiteCollector other) { } Category get() { - return new CategoryBuilder("atom_site", null) - .addColumn(groupPDB.build()) - .addColumn(id.build()) - .addColumn(typeSymbol.build()) - .addColumn(labelAtomId.build()) - .addColumn(labelAltId.build()) - .addColumn(labelCompId.build()) - .addColumn(labelAsymId.build()) - .addColumn(labelEntityId.build()) - .addColumn(labelSeqId.build()) - .addColumn(pdbxPDBInsCode.build()) - .addColumn(cartnX.build()) - .addColumn(cartnY.build()) - .addColumn(cartnZ.build()) - .addColumn(occupancy.build()) - .addColumn(bIsoOrEquiv.build()) - .addColumn(authSeqId.build()) - .addColumn(authCompId.build()) - .addColumn(authAsymId.build()) - .addColumn(authAtomId.build()) - .addColumn(pdbxPDBModelNum.build()) - .build(); + groupPDB.leaveColumn(); + id.leaveColumn(); + typeSymbol.leaveColumn(); + labelAtomId.leaveColumn(); + labelAltId.leaveColumn(); + labelCompId.leaveColumn(); + labelAsymId.leaveColumn(); + labelEntityId.leaveColumn(); + labelSeqId.leaveColumn(); + pdbxPDBInsCode.leaveColumn(); + cartnX.leaveColumn(); + cartnY.leaveColumn(); + cartnZ.leaveColumn(); + occupancy.leaveColumn(); + bIsoOrEquiv.leaveColumn(); + authSeqId.leaveColumn(); + authCompId.leaveColumn(); + authAsymId.leaveColumn(); + authAtomId.leaveColumn(); + pdbxPDBModelNum.leaveColumn(); + return atomSiteBuilder.build(); } } } From b5425aff6fc1a3906e24f1e078f439ddfa87e329 Mon Sep 17 00:00:00 2001 From: emckee2006 Date: Wed, 5 Jun 2019 12:34:34 -0400 Subject: [PATCH 051/821] Update UniprotProxySequenceReader.java Uniprot has begun adding spaces into the sequence string. We simply strip them out again so we don't get a compound noot found error. --- .../nbio/core/sequence/loader/UniprotProxySequenceReader.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java index 2562898bf1..19dd73baec 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java @@ -149,7 +149,7 @@ public void setCompoundSet(CompoundSet compoundSet) { public void setContents(String sequence) throws CompoundNotFoundException { // Horrendously inefficient - pretty much the way the old BJ did things. // TODO Should be optimised. - this.sequence = sequence; + this.sequence = sequence.replaceAll(" ", ""); this.parsedCompounds.clear(); for (int i = 0; i < sequence.length();) { String compoundStr = null; From 390e6b39e87088e356e33bf00cb32459ce970523 Mon Sep 17 00:00:00 2001 From: emckee2006 Date: Thu, 6 Jun 2019 15:26:39 -0400 Subject: [PATCH 052/821] Update UniprotProxySequenceReader.java Parse protein names more thouroughly. This should hit everything mentioned in the current XSD --- .../loader/UniprotProxySequenceReader.java | 97 +++++++++++++++---- 1 file changed, 76 insertions(+), 21 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java index 19dd73baec..d706855de0 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java @@ -381,33 +381,52 @@ public ArrayList getProteinAliases() throws XPathExpressionException { Element uniprotElement = uniprotDoc.getDocumentElement(); Element entryElement = XMLHelper.selectSingleElement(uniprotElement, "entry"); Element proteinElement = XMLHelper.selectSingleElement(entryElement, "protein"); - ArrayList keyWordElementList = XMLHelper.selectElements(proteinElement, "alternativeName"); + + ArrayList keyWordElementList; + getProteinAliasesFromNameGroup(aliasList, proteinElement); + + keyWordElementList = XMLHelper.selectElements(proteinElement, "component"); for (Element element : keyWordElementList) { - Element fullNameElement = XMLHelper.selectSingleElement(element, "fullName"); - aliasList.add(fullNameElement.getTextContent()); - Element shortNameElement = XMLHelper.selectSingleElement(element, "shortName"); - if(null != shortNameElement) { - String shortName = shortNameElement.getTextContent(); - if(null != shortName && !shortName.trim().isEmpty()) { - aliasList.add(shortName); - } + getProteinAliasesFromNameGroup(aliasList, element); + } + + keyWordElementList = XMLHelper.selectElements(proteinElement, "domain"); + for (Element element : keyWordElementList) { + getProteinAliasesFromNameGroup(aliasList, element); + } + + keyWordElementList = XMLHelper.selectElements(proteinElement, "submittedName"); + for (Element element : keyWordElementList) { + getProteinAliasesFromNameGroup(aliasList, element); + } + + keyWordElementList = XMLHelper.selectElements(proteinElement, "cdAntigenName"); + for (Element element : keyWordElementList) { + String cdAntigenName = element.getTextContent(); + if(null != cdAntigenName && !cdAntigenName.trim().isEmpty()) { + aliasList.add(cdAntigenName); } } - keyWordElementList = XMLHelper.selectElements(proteinElement, "recommendedName"); + + keyWordElementList = XMLHelper.selectElements(proteinElement, "innName"); for (Element element : keyWordElementList) { - Element fullNameElement = XMLHelper.selectSingleElement(element, "fullName"); - aliasList.add(fullNameElement.getTextContent()); - Element shortNameElement = XMLHelper.selectSingleElement(element, "shortName"); - if(null != shortNameElement) { - String shortName = shortNameElement.getTextContent(); - if(null != shortName && !shortName.trim().isEmpty()) { - aliasList.add(shortName); - } + String cdAntigenName = element.getTextContent(); + if(null != cdAntigenName && !cdAntigenName.trim().isEmpty()) { + aliasList.add(cdAntigenName); } } - Element cdAntigen = XMLHelper.selectSingleElement(proteinElement, "cdAntigenName"); - if(null != cdAntigen) { - String cdAntigenName = cdAntigen.getTextContent(); + + keyWordElementList = XMLHelper.selectElements(proteinElement, "biotechName"); + for (Element element : keyWordElementList) { + String cdAntigenName = element.getTextContent(); + if(null != cdAntigenName && !cdAntigenName.trim().isEmpty()) { + aliasList.add(cdAntigenName); + } + } + + keyWordElementList = XMLHelper.selectElements(proteinElement, "allergenName"); + for (Element element : keyWordElementList) { + String cdAntigenName = element.getTextContent(); if(null != cdAntigenName && !cdAntigenName.trim().isEmpty()) { aliasList.add(cdAntigenName); } @@ -416,6 +435,42 @@ public ArrayList getProteinAliases() throws XPathExpressionException { return aliasList; } + /** + * @param aliasList + * @param proteinElement + * @throws XPathExpressionException + */ + private void getProteinAliasesFromNameGroup(ArrayList aliasList, Element proteinElement) + throws XPathExpressionException { + ArrayList keyWordElementList = XMLHelper.selectElements(proteinElement, "alternativeName"); + for (Element element : keyWordElementList) { + getProteinAliasesFromElement(aliasList, element); + } + + keyWordElementList = XMLHelper.selectElements(proteinElement, "recommendedName"); + for (Element element : keyWordElementList) { + getProteinAliasesFromElement(aliasList, element); + } + } + + /** + * @param aliasList + * @param element + * @throws XPathExpressionException + */ + private void getProteinAliasesFromElement(ArrayList aliasList, Element element) + throws XPathExpressionException { + Element fullNameElement = XMLHelper.selectSingleElement(element, "fullName"); + aliasList.add(fullNameElement.getTextContent()); + Element shortNameElement = XMLHelper.selectSingleElement(element, "shortName"); + if(null != shortNameElement) { + String shortName = shortNameElement.getTextContent(); + if(null != shortName && !shortName.trim().isEmpty()) { + aliasList.add(shortName); + } + } + } + /** * Pull uniprot gene aliases associated with this sequence * @return From 12f644d8679d4c5e2bbe92229a3a443fd06c9f87 Mon Sep 17 00:00:00 2001 From: emckee2006 Date: Fri, 7 Jun 2019 12:28:48 -0400 Subject: [PATCH 053/821] Update UniprotProxySequenceReader.java Be more thourough about whitespace in the sequence, as sime also have new line chaeacters. --- .../nbio/core/sequence/loader/UniprotProxySequenceReader.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java index d706855de0..f2eb81aeaf 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java @@ -149,7 +149,7 @@ public void setCompoundSet(CompoundSet compoundSet) { public void setContents(String sequence) throws CompoundNotFoundException { // Horrendously inefficient - pretty much the way the old BJ did things. // TODO Should be optimised. - this.sequence = sequence.replaceAll(" ", ""); + this.sequence = sequence.replaceAll("\\s", "").trim(); this.parsedCompounds.clear(); for (int i = 0; i < sequence.length();) { String compoundStr = null; From f279dca979b7f316e68858057294714d1a678b86 Mon Sep 17 00:00:00 2001 From: emckee2006 Date: Sat, 8 Jun 2019 03:27:44 -0400 Subject: [PATCH 054/821] Update UniprotProxySequenceReader.java It helps to actually use the one that has had spaces stripped... --- .../nbio/core/sequence/loader/UniprotProxySequenceReader.java | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java index f2eb81aeaf..ddced21eb4 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/sequence/loader/UniprotProxySequenceReader.java @@ -151,11 +151,11 @@ public void setContents(String sequence) throws CompoundNotFoundException { // TODO Should be optimised. this.sequence = sequence.replaceAll("\\s", "").trim(); this.parsedCompounds.clear(); - for (int i = 0; i < sequence.length();) { + for (int i = 0; i < this.sequence.length();) { String compoundStr = null; C compound = null; for (int compoundStrLength = 1; compound == null && compoundStrLength <= compoundSet.getMaxSingleCompoundStringLength(); compoundStrLength++) { - compoundStr = sequence.substring(i, i + compoundStrLength); + compoundStr = this.sequence.substring(i, i + compoundStrLength); compound = compoundSet.getCompoundForString(compoundStr); } if (compound == null) { From 83fc4a013bea68b85cbb66f7e848994da1ed02a4 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Mon, 8 Jul 2019 12:09:18 -0700 Subject: [PATCH 055/821] Fixing issue with MTRIXn record parsing and adding test for it --- .../structure/test/PDBFileParserTest.java | 30 ++++++++++++++++--- .../nbio/structure/io/PDBFileParser.java | 6 ++-- 2 files changed, 29 insertions(+), 7 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/PDBFileParserTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/PDBFileParserTest.java index 22e624d51e..7bc3c2846d 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/PDBFileParserTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/PDBFileParserTest.java @@ -24,10 +24,6 @@ */ package org.biojava.nbio.structure.test; -import static org.junit.Assert.assertEquals; -import static org.junit.Assert.assertNull; -import static org.junit.Assert.assertTrue; - import java.io.BufferedReader; import java.io.IOException; import java.io.InputStream; @@ -49,6 +45,8 @@ import org.junit.Before; import org.junit.Test; +import static org.junit.Assert.*; + /** * Test the {@link PDBFileParser}. * @@ -654,4 +652,28 @@ public void testDates() throws IOException { assertEquals(s.getPDBHeader().getRelDate().getYear() + 1900, 1992); } + + @Test + public void testMatrxn() throws IOException { + String pdb = + "MTRIX1 1 1.000000 0.000000 0.000000 0.00000 1\n" + + "MTRIX2 1 0.000000 1.000000 0.000000 0.00000 1\n" + + "MTRIX3 1 0.000000 0.000000 1.000000 0.00000 1\n" + + "MTRIX1 2 0.302797 -0.436000 -0.847477 183.33000 \n" + + "MTRIX2 2 0.434555 0.854568 -0.284384 -74.97000 \n" + + "MTRIX3 2 0.848219 -0.282165 0.448227 -146.16000 \n" + + // no padding at end should also work + "MTRIX1 3 0.006722 0.856941 0.515371 176.52000\n" + + "MTRIX2 3 0.518827 0.437598 -0.734389 -69.86000\n" + + "MTRIX3 3 -0.854853 0.272325 -0.441662 242.75999\n"; + + BufferedReader br = new BufferedReader(new StringReader(pdb)); + Structure s = parser.parsePDBFile(br); + + assertNotNull(s.getCrystallographicInfo().getNcsOperators()); + assertEquals(2, s.getCrystallographicInfo().getNcsOperators().length); + + // making sure we read up to last character + assertEquals(242.75999, s.getCrystallographicInfo().getNcsOperators()[1].m23, 0.0000001); + } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java index eeac1912ab..41014e1ec4 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java @@ -1553,8 +1553,8 @@ private void pdb_CRYST1_Handler(String line) { private void pdb_MTRIXn_Handler(String line) { // don't process incomplete records - if (line.length() < 60) { - logger.info("MTRIXn record has fewer than 60 columns: will ignore it"); + if (line.length() < 55) { + logger.info("MTRIXn record has fewer than 55 columns: will ignore it"); return; } @@ -1567,7 +1567,7 @@ private void pdb_MTRIXn_Handler(String line) { double col3Value = Double.parseDouble(line.substring(30,40)); double translValue = Double.parseDouble(line.substring(45,55)); int iGiven = 0; - if (!line.substring(59,60).trim().equals("")) { + if (line.length()>=60 && !line.substring(59,60).trim().isEmpty()) { iGiven = Integer.parseInt(line.substring(59,60)); } From 3c9f1e7962c3e9681fefc67ff4628491d1a39d59 Mon Sep 17 00:00:00 2001 From: Spencer Bliven Date: Tue, 20 Aug 2019 16:22:27 +0200 Subject: [PATCH 056/821] Add CITATION.cff This is a hand-coded CFF file for BioJava 5.2.1 --- CITATION.cff | 195 +++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 195 insertions(+) create mode 100644 CITATION.cff diff --git a/CITATION.cff b/CITATION.cff new file mode 100644 index 0000000000..37481303db --- /dev/null +++ b/CITATION.cff @@ -0,0 +1,195 @@ +cff-version: 1.0.3 +message: If you use BioJava, please cite the software and the most recent paper reference (Lafita 2019). +title: BioJava +version: 5.2.1 +date-released: 2019-02-05 +doi: 10.5281/zenodo.2557853 +commit: 783065396f92f14c3fb6e2b9a684a17aa46bb974 +url: http://www.biojava.org +repository-code: https://github.com/biojava/biojava/ +license: LGPL-2.1-only +abstract: >- + BioJava is an open-source project dedicated to providing a Java framework for processing biological + data. It provides analytical and statistical routines, parsers for common file formats and allows the + manipulation of sequences and 3D structures. The goal of the biojava project is to facilitate rapid application + development for bioinformatics. + +authors: + - family-names: Prlić + given-names: Andreas + - family-names: Lafita + given-names: Aleix + - family-names: Al-Hossary + given-names: Amr + - family-names: Dräger + given-names: Andreas + - family-names: Yates + given-names: Andy + - family-names: Bradley + given-names: Anthony + - family-names: Foti + given-names: Carmelo + - family-names: Koh + given-names: Chuan Hock + - family-names: Myers-Turnbull + given-names: Douglas + - family-names: Rimsa + given-names: Gediminas + - family-names: Waldon + given-names: George + - family-names: Brandstätter-Müller + given-names: Hannes + - name: Elinow + - family-names: Gao + given-names: Jianjiong + - family-names: Warren + given-names: Jonathan + - family-names: Duarte + given-names: Jose Manuel + - family-names: Jacobsen + given-names: Jules + - family-names: Nicholas + given-names: Karl + - family-names: Chapman + given-names: Mark + - family-names: Heuer + given-names: Michael + - family-names: Rose + given-names: Peter + - family-names: Troshin + given-names: Peter + - family-names: Holland + given-names: Richard + - family-names: Thornton + given-names: Robert + - family-names: Willis + given-names: Scooter + - family-names: Bliven + given-names: Spencer + - family-names: Foisy + given-names: Sylvain + +references: + - type: article + authors: + - family-names: Lafita + given-names: Aleix + orcid: http://orcid.org/0000-0003-1549-3162 + - family-names: Bliven + given-names: Spencer E + orcid: http://orcid.org/0000-0002-1200-1698 + - family-names: Prlić + given-names: Andreas + orcid: https://orcid.org/0000-0001-6346-6391 + - family-names: Guzenko + given-names: Dmytro + orcid: https://orcid.org/0000-0002-8688-7460 + - family-names: Rose + given-names: Peter W + orcid: http://orcid.org/0000-0001-9981-9750 + - family-names: Bradley + given-names: Anthony + orcid: http://orcid.org/0000-0002-0881-3490 + - family-names: Pavan + given-names: Paolo + - family-names: Myers-Turnbull + given-names: Douglas + orcid: http://orcid.org/0000-0003-3610-4808 + - family-names: Valasatava + given-names: Yana + orcid: http://orcid.org/0000-0003-1018-5718 + - family-names: Heuer + given-names: Michael + orcid: http://orcid.org/0000-0002-9052-6000 + - family-names: Larson + given-names: Matt + orcid: http://orcid.org/0000-0003-2116-5747 + - family-names: Burley + given-names: Stephen K + - family-names: Duarte + given-names: Jose M + orcid: http://orcid.org/0000-0002-9544-5621 + title: "BioJava 5: A community driven open-source bioinformatics library" + year: 2019 + journal: PLOS Computational Biology + volume: 15 + number: "2" + section: e1006791 + doi: 10.1371/journal.pcbi.1006791 + url: http://dx.plos.org/10.1371/journal.pcbi.1006791 + + - type: article + authors: + - family-names: Prlić + given-names: Andreas + - family-names: Yates + given-names: Andrew + - family-names: Bliven + given-names: Spencer E + - family-names: Rose + given-names: Peter W + - family-names: Jacobsen + given-names: Julius + - family-names: Troshin + given-names: Peter V + - family-names: Chapman + given-names: Mark + - family-names: Gao + given-names: Jianjiong + - family-names: Koh + given-names: Chuan Hock + - family-names: Foisy + given-names: Sylvain + - family-names: Holland + given-names: Richard + - family-names: Rimša + given-names: Gediminas + - family-names: Heuer + given-names: Michael L + - family-names: Brandstätter-Müller + given-names: H + - family-names: Bourne + given-names: Philip E + - family-names: Willis + given-names: Scooter + title: "BioJava: an open-source framework for bioinformatics in 2012" + journal: Bioinformatics + year: 2012 + volume: 28 + number: "20" + section: 2693-2695 + doi: 10.1093/bioinformatics/bts494 + + - type: article + authors: + - family-names: Holland + given-names: R C G + - family-names: Down + given-names: T A + - family-names: Pocock + given-names: M + - family-names: Prlić + given-names: A + - family-names: Huen + given-names: D + - family-names: James + given-names: K + - family-names: Foisy + given-names: S + - family-names: Dräger + given-names: A + - family-names: Yates + given-names: A + - family-names: Heuer + given-names: M + - family-names: Schreiber + given-names: M J + title: "BioJava: an open-source framework for bioinformatics" + journal: Bioinformatics + year: 2008 + volume: 24 + number: "18" + section: 2096-2097 + doi: 10.1093/bioinformatics/btn397 + + From 407272c25ca264d4888c04514c51c4fc7518a95d Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Mon, 2 Sep 2019 10:09:15 -0700 Subject: [PATCH 057/821] Switching travis to jdk11 hoping to fix travis not starting issue See https://travis-ci.community/t/install-jdk-sh-failing-for-openjdk9-and-10/3998/19 --- .travis.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.travis.yml b/.travis.yml index 6be4786ae3..5c668648ce 100644 --- a/.travis.yml +++ b/.travis.yml @@ -1,6 +1,6 @@ language: java jdk: - - oraclejdk8 + - openjdk11 sudo: required cache: directories: From 747633fc870df98914c66ca8726a4ceec3ea760d Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Mon, 2 Sep 2019 15:10:53 -0700 Subject: [PATCH 058/821] Cosmetics --- .../nbio/structure/io/mmtf/MmtfStructureReader.java | 4 ++-- .../org/biojava/nbio/structure/io/mmtf/MmtfUtils.java | 11 +++-------- .../structure/io/mmtf/TestMmtfStructureReader.java | 2 -- 3 files changed, 5 insertions(+), 12 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java index 69744a3f19..7c7c24e9ec 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java @@ -229,7 +229,7 @@ public void setGroupInfo(String groupName, int groupNumber, group = new HetatomImpl(); break; } - atomsInGroup = new ArrayList(); + atomsInGroup = new ArrayList<>(); ChemComp chemComp = new ChemComp(); chemComp.setOne_letter_code(String.valueOf(singleLetterCode)); chemComp.setType(chemCompType.toUpperCase()); @@ -243,7 +243,7 @@ public void setGroupInfo(String groupName, int groupNumber, group.setResidueNumber(chain.getName().trim(), groupNumber, insertionCode); } - group.setAtoms(new ArrayList(atomCount)); + group.setAtoms(new ArrayList<>(atomCount)); if (polymerType==1 || polymerType==2) { MmtfUtils.insertSeqResGroup(chain, group, sequenceIndexId); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index 3b61957009..7085944462 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -371,7 +371,7 @@ public static int getSecStructType(Group group) { /** * Get the secondary structure as defined by DSSP. * @param group the input group to be calculated - * @param the integer index of the group type. + * @param dsspIndex integer index of the group type. */ public static void setSecStructType(Group group, int dsspIndex) { SecStrucType secStrucType = getSecStructTypeFromDsspIndex(dsspIndex); @@ -508,9 +508,7 @@ public static void addSeqRes(Chain modelChain, String sequence) { char singleLetterCode = sequence.charAt(i); Group group = null; - if(seqResGroups.size()<=i){ - } - else{ + if (seqResGroups.size() > i) { group=seqResGroups.get(i); } if(group!=null){ @@ -525,10 +523,7 @@ public static void addSeqRes(Chain modelChain, String sequence) { private static GroupType getChainType(List groups) { for(Group group : groups) { - if(group==null){ - continue; - } - else if(group.getType()!=GroupType.HETATM){ + if(group!=null && group.getType()!=GroupType.HETATM){ return group.getType(); } } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java index 3611a56c30..b591b02672 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java @@ -64,8 +64,6 @@ public void compareMmcif() throws IOException, StructureException { assertEquals(mmcif.getPDBHeader().getExperimentalTechniques(), mmtf.getPDBHeader().getExperimentalTechniques()); - - // Compare the SEQRES assertEquals(mmcif.getChainByIndex(0).getSeqResSequence(), mmtf.getChainByIndex(0).getSeqResSequence()); From 18f2b6e6625fae157cb427e603878930013899f9 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Mon, 2 Sep 2019 15:17:39 -0700 Subject: [PATCH 059/821] More cosmetics --- .../main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java | 2 -- 1 file changed, 2 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index 7085944462..fbe880d4e8 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -379,8 +379,6 @@ public static void setSecStructType(Group group, int dsspIndex) { if(secStrucType!=null){ group.setProperty("secstruc", secStrucState); } - else{ - } } From dc5639c4e057db63ab8b79820d4909c1a6ff0557 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Mon, 2 Sep 2019 15:42:22 -0700 Subject: [PATCH 060/821] Fixing potential bug --- .../java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java | 2 +- .../nbio/structure/io/mmtf/TestMmtfStructureReader.java | 4 +--- 2 files changed, 2 insertions(+), 4 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index fbe880d4e8..afbb7bb40e 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -392,7 +392,7 @@ public static SecStrucType getSecStructTypeFromDsspIndex(int dsspIndex) { String dsspType = DsspType.dsspTypeFromInt(dsspIndex).getDsspType(); for(SecStrucType secStrucType : SecStrucType.values()) { - if(dsspType==secStrucType.name) + if(dsspType.equals(secStrucType.name)) { return secStrucType; } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java index b591b02672..43f20c801c 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java @@ -64,12 +64,10 @@ public void compareMmcif() throws IOException, StructureException { assertEquals(mmcif.getPDBHeader().getExperimentalTechniques(), mmtf.getPDBHeader().getExperimentalTechniques()); - // Compare the SEQRES + // Compare the SEQRES, see issue https://github.com/biojava/biojava/issues/671 assertEquals(mmcif.getChainByIndex(0).getSeqResSequence(), mmtf.getChainByIndex(0).getSeqResSequence()); - - } } From 93832066d86bff68fe1cebb4324aa693011f88b4 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Mon, 2 Sep 2019 16:30:01 -0700 Subject: [PATCH 061/821] Fixing #671 --- .../biojava/nbio/structure/io/mmtf/MmtfUtils.java | 12 ++++++++++-- .../nbio/structure/io/mmtf/TestMmtfRoundTrip.java | 1 - .../structure/io/mmtf/TestMmtfStructureReader.java | 2 +- 3 files changed, 11 insertions(+), 4 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index afbb7bb40e..93e7ab0f46 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -50,6 +50,7 @@ import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; +import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; import org.biojava.nbio.structure.io.mmcif.model.ChemComp; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; @@ -513,7 +514,7 @@ public static void addSeqRes(Chain modelChain, String sequence) { continue; } - group = getSeqResGroup(modelChain, singleLetterCode, chainType); + group = getSeqResGroup(singleLetterCode, chainType); addGroupAtId(seqResGroups, group, i); seqResGroups.set(i, group); } @@ -537,7 +538,7 @@ private static void addGroupAtId(List seqResGroups, T group, int sequence } } - private static Group getSeqResGroup(Chain modelChain, char singleLetterCode, GroupType type) { + private static Group getSeqResGroup(char singleLetterCode, GroupType type) { if(type==GroupType.AMINOACID){ AminoAcidImpl a = new AminoAcidImpl(); a.setRecordType(AminoAcid.SEQRESRECORD); @@ -545,6 +546,7 @@ private static Group getSeqResGroup(Chain modelChain, char singleLetterCode, Gro ChemComp chemComp = new ChemComp(); chemComp.setOne_letter_code(""+singleLetterCode); a.setChemComp(chemComp); + chemComp.setPolymerType(PolymerType.peptide); return a; } else if (type==GroupType.NUCLEOTIDE) { @@ -552,6 +554,12 @@ private static Group getSeqResGroup(Chain modelChain, char singleLetterCode, Gro ChemComp chemComp = new ChemComp(); chemComp.setOne_letter_code(""+singleLetterCode); n.setChemComp(chemComp); + // TODO this could be either dna or rna, how to distinguish properly? + if (singleLetterCode == 'U') { + chemComp.setPolymerType(PolymerType.rna); + } else { + chemComp.setPolymerType(PolymerType.dna); + } return n; } else{ diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java index c2124c983b..d9bdb05bc0 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java @@ -94,7 +94,6 @@ public void testRoundTrip() throws IOException, StructureException { * Broad test of atom similarity * @param structOne the first input structure * @param structTwo the second input structure - * @param mmtfParams * @return */ private boolean checkIfAtomsSame(Structure structOne, Structure structTwo) { diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java index 43f20c801c..b0928b3836 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java @@ -44,7 +44,7 @@ public void testRead() throws IOException { /** * Compare structures loaded from MMCIF and MMTF files. */ - @Test @Ignore + @Test public void compareMmcif() throws IOException, StructureException { // Get the MMTF and MMCIF files from the resources folder From ee6a478bbf36bdd1e82015a0500b8eb2d83658d1 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Mon, 2 Sep 2019 16:54:56 -0700 Subject: [PATCH 062/821] New test for #792 --- .../io/mmtf/TestMmtfStructureReader.java | 35 +++++++++++++++++++ 1 file changed, 35 insertions(+) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java index b0928b3836..ac2d81e8d5 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java @@ -4,11 +4,19 @@ import java.io.IOException; import java.nio.file.Paths; +import java.util.List; + +import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; +import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; +import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import org.junit.Ignore; import org.junit.Test; +import static org.junit.Assert.*; /** * Test the Biojava MMTF reader. @@ -70,4 +78,31 @@ public void compareMmcif() throws IOException, StructureException { } + /** + * Test for issue https://github.com/biojava/biojava/issues/792 + */ + @Test + @Ignore("Issue not fixed yet") + public void checkNonStandardAminoSeqresGroupsPopulated() throws StructureException, IOException { + // 2X3T, see issue https://github.com/biojava/biojava/issues/792 + // Load a structure in mmtf format + AtomCache cache = new AtomCache(); + FileParsingParameters params = new FileParsingParameters(); + cache.setFileParsingParams(params); + cache.setUseMmCif(false); + cache.setUseMmtf(true); + + StructureIO.setAtomCache(cache); + + ChemCompGroupFactory.setChemCompProvider(new DownloadChemCompProvider()); + + Structure structure1 = StructureIO.getStructure("2X3T"); + // chain E is a glycopeptide with unobserved non-standard aminoacids. Because of mmtf limitations (representing seqres sequences as 1-letter strings) the non-standard unobserved residues are read as null + List seqresGroups = structure1.getChain("E").getSeqResGroups(); + for (Group g : seqresGroups) { + assertNotNull("SeqRes group should not be null", g); + } + + } + } From 3d0274b0891ea7c80445f87fb4abcf3936106a15 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Mon, 2 Sep 2019 21:33:38 -0700 Subject: [PATCH 063/821] Better solution --- .../nbio/structure/io/mmtf/MmtfUtils.java | 24 +++++++++---------- 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index 93e7ab0f46..2a25a270fc 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -50,7 +50,7 @@ import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; +import org.biojava.nbio.structure.io.mmcif.chem.ChemCompTools; import org.biojava.nbio.structure.io.mmcif.model.ChemComp; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; @@ -539,27 +539,27 @@ private static void addGroupAtId(List seqResGroups, T group, int sequence } private static Group getSeqResGroup(char singleLetterCode, GroupType type) { + if(type==GroupType.AMINOACID){ + String threeLetter = ChemCompTools.getAminoThreeLetter(singleLetterCode); + if (threeLetter == null) return null; + ChemComp chemComp = ChemCompGroupFactory.getChemComp(threeLetter); + AminoAcidImpl a = new AminoAcidImpl(); a.setRecordType(AminoAcid.SEQRESRECORD); a.setAminoType(singleLetterCode); - ChemComp chemComp = new ChemComp(); - chemComp.setOne_letter_code(""+singleLetterCode); + a.setPDBName(threeLetter); a.setChemComp(chemComp); - chemComp.setPolymerType(PolymerType.peptide); return a; } else if (type==GroupType.NUCLEOTIDE) { + String twoLetter = ChemCompTools.getDNATwoLetter(singleLetterCode); + if (twoLetter == null) return null; + ChemComp chemComp = ChemCompGroupFactory.getChemComp(twoLetter); + NucleotideImpl n = new NucleotideImpl(); - ChemComp chemComp = new ChemComp(); - chemComp.setOne_letter_code(""+singleLetterCode); + n.setPDBName(twoLetter); n.setChemComp(chemComp); - // TODO this could be either dna or rna, how to distinguish properly? - if (singleLetterCode == 'U') { - chemComp.setPolymerType(PolymerType.rna); - } else { - chemComp.setPolymerType(PolymerType.dna); - } return n; } else{ From 9afde8fc5e19807fb4e787ed57f5865ff8925e58 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Tue, 3 Sep 2019 10:19:46 -0700 Subject: [PATCH 064/821] Fixing test and clean up --- .../nbio/structure/io/mmtf/MmtfUtils.java | 1 - .../io/mmtf/TestMmtfPerformance.java | 58 +++---------------- 2 files changed, 8 insertions(+), 51 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index 2a25a270fc..bbd34c9610 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -516,7 +516,6 @@ public static void addSeqRes(Chain modelChain, String sequence) { group = getSeqResGroup(singleLetterCode, chainType); addGroupAtId(seqResGroups, group, i); - seqResGroups.set(i, group); } } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfPerformance.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfPerformance.java index d18f856cd8..e0b576d79a 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfPerformance.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfPerformance.java @@ -44,54 +44,14 @@ public class TestMmtfPerformance { private static final int NUMBER_OF_REPEATS = 10; - // Returns the contents of the file in a byte array. - public static byte[] getBytesFromFile(File file) throws IOException { - // Get the size of the file - long length = file.length(); - - // You cannot create an array using a long type. - // It needs to be an int type. - // Before converting to an int type, check - // to ensure that file is not larger than Integer.MAX_VALUE. - if (length > Integer.MAX_VALUE) { - // File is too large - throw new IOException("File is too large!"); - } - - // Create the byte array to hold the data - byte[] bytes = new byte[(int)length]; - - // Read in the bytes - int offset = 0; - int numRead = 0; - - InputStream is = new FileInputStream(file); - try { - while (offset < bytes.length - && (numRead=is.read(bytes, offset, bytes.length-offset)) >= 0) { - offset += numRead; - } - } finally { - is.close(); - } - - // Ensure all the bytes have been read in - if (offset < bytes.length) { - throw new IOException("Could not completely read file "+file.getName()); - } - return bytes; - } - - static String convertStreamToString(java.io.InputStream is) { + private static String convertStreamToString(java.io.InputStream is) { try ( java.util.Scanner s = new java.util.Scanner(is)){ return s.useDelimiter("\\A").hasNext() ? s.next() : ""; } - } - - public byte[] getByteArrayFromInputStream(InputStream is) throws IOException { + private byte[] getByteArrayFromInputStream(InputStream is) throws IOException { ByteArrayOutputStream buffer = new ByteArrayOutputStream(); int nRead; @@ -104,7 +64,6 @@ public byte[] getByteArrayFromInputStream(InputStream is) throws IOException { buffer.flush(); return buffer.toByteArray(); - } @Test @@ -128,31 +87,30 @@ public void test3HBX() throws Exception{ byte[] mmtfdata = getByteArrayFromInputStream(new GZIPInputStream((mmtfURL.openStream()))); + // first make sure chemcomp cache is warmed up (chemcomp files are parsed). Like that we count the parsing time without the influence of chemcomp parsing + MmtfActions.readFromInputStream(new ByteArrayInputStream(mmtfdata)); + parser.parsePDBFile(new ByteArrayInputStream(pdbBytes)); + for ( int i =0 ; i< NUMBER_OF_REPEATS ; i++) { long mmtfStart = System.nanoTime(); MmtfActions.readFromInputStream(new ByteArrayInputStream(mmtfdata)); long mmtfEnd = System.nanoTime(); - - long pdbStart = System.nanoTime(); parser.parsePDBFile(new ByteArrayInputStream(pdbBytes)); long pdbEnd = System.nanoTime(); totalTimePDB += (pdbEnd - pdbStart); - totalTimeMMTF += (mmtfEnd-mmtfStart); } - long timePDB = (totalTimePDB/NUMBER_OF_REPEATS); long timeMMTF = (totalTimeMMTF/NUMBER_OF_REPEATS); - - logger.warn("average time to parse mmtf: " + timeMMTF/(1000*1000) + " ms."); - logger.warn("average time to parse PDB : " + timePDB/(1000*1000) + " ms. "); + logger.info("average time to parse mmtf: " + timeMMTF/(1000*1000) + " ms."); + logger.info("average time to parse PDB : " + timePDB/(1000*1000) + " ms. "); assertTrue( "It should not be the case, but it is faster to parse a PDB file ("+timePDB+" ns.) than MMTF ("+( timeMMTF)+" ns.)!",( timePDB) > ( timeMMTF)); From 9e45ff52e7a2a6248d42b11e28c927a91afa65bd Mon Sep 17 00:00:00 2001 From: Michael L Heuer Date: Tue, 3 Sep 2019 13:31:48 -0500 Subject: [PATCH 065/821] Bump guava dependency version to 28.1-jre. --- biojava-genome/pom.xml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index 19b7f0d791..1a0c7c571c 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -75,7 +75,7 @@ com.google.guava guava compile - 24.0-jre + 28.1-jre junit From 0c29e44a56db341de95e244a5b14a69633c1a6ed Mon Sep 17 00:00:00 2001 From: Michael L Heuer Date: Tue, 3 Sep 2019 13:40:56 -0500 Subject: [PATCH 066/821] Bump Maven plugin versions. --- pom.xml | 20 ++++++++++---------- 1 file changed, 10 insertions(+), 10 deletions(-) diff --git a/pom.xml b/pom.xml index f4f327cb92..d7cf5a19de 100644 --- a/pom.xml +++ b/pom.xml @@ -18,7 +18,7 @@ data. It provides analytical and statistical routines, parsers for common file formats and allows the manipulation of sequences and 3D structures. The goal of the biojava project is to facilitate rapid application development for bioinformatics. - + http://www.biojava.org BioJava @@ -160,11 +160,11 @@ maven-clean-plugin - 3.0.0 + 3.1.0 maven-compiler-plugin - 3.7.0 + 3.8.0 ${jdk.version} ${jdk.version} @@ -176,7 +176,7 @@ maven-jar-plugin - 3.1.0 + 3.1.2 maven-scm-plugin @@ -188,7 +188,7 @@ maven-failsafe-plugin - 2.22.0 + 3.0.0-M3 net.sf @@ -221,7 +221,7 @@ org.apache.maven.plugins maven-javadoc-plugin - 3.0.1 + 3.1.0 -Xdoclint:none @@ -239,7 +239,7 @@ org.apache.maven.plugins maven-shade-plugin - 3.1.1 + 3.2.0 maven-assembly-plugin @@ -308,12 +308,12 @@ org.apache.maven.plugins maven-install-plugin - 2.5.2 + 3.0.0-M1 org.apache.maven.plugins maven-surefire-plugin - 3.0.0-M1 + 3.0.0-M3 org.apache.maven.plugins @@ -324,7 +324,7 @@ org.apache.maven.plugins maven-deploy-plugin - 2.8.2 + 3.0.0-M1 From 4492f2d5fcb90ce5d965181e73f258740b591d97 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Tue, 3 Sep 2019 12:16:06 -0700 Subject: [PATCH 067/821] Latest mmtf-java and cif-tools-java --- biojava-structure/pom.xml | 2 +- pom.xml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index db9ed8f926..e5eff3836d 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -21,7 +21,7 @@ org.rcsb ciftools-java - 0.4.1 + 0.5.4 org.rcsb diff --git a/pom.xml b/pom.xml index f4f327cb92..1bee577bda 100644 --- a/pom.xml +++ b/pom.xml @@ -40,7 +40,7 @@ UTF-8 512M - 1.0.8 + 1.0.9 1.7.25 2.6.2 From c2335dfc2661d5781681f36facc008c339934bd9 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Fri, 6 Sep 2019 12:19:21 -0700 Subject: [PATCH 068/821] [maven-release-plugin] prepare release biojava-5.3.0 --- biojava-aa-prop/pom.xml | 6 +++--- biojava-alignment/pom.xml | 4 ++-- biojava-core/pom.xml | 2 +- biojava-genome/pom.xml | 6 +++--- biojava-integrationtest/pom.xml | 4 ++-- biojava-modfinder/pom.xml | 4 ++-- biojava-ontology/pom.xml | 2 +- biojava-protein-disorder/pom.xml | 4 ++-- biojava-structure-gui/pom.xml | 6 +++--- biojava-structure/pom.xml | 6 +++--- biojava-survival/pom.xml | 2 +- biojava-ws/pom.xml | 4 ++-- pom.xml | 4 ++-- 13 files changed, 27 insertions(+), 27 deletions(-) diff --git a/biojava-aa-prop/pom.xml b/biojava-aa-prop/pom.xml index 53a775287e..ac3d8aa645 100644 --- a/biojava-aa-prop/pom.xml +++ b/biojava-aa-prop/pom.xml @@ -2,7 +2,7 @@ biojava org.biojava - 5.2.2-SNAPSHOT + 5.3.0 4.0.0 biojava-aa-prop @@ -70,12 +70,12 @@ org.biojava biojava-core - 5.2.2-SNAPSHOT + 5.3.0 org.biojava biojava-structure - 5.2.2-SNAPSHOT + 5.3.0 diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index 0c14c04c1e..376eefa966 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.2.2-SNAPSHOT + 5.3.0 biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 5.2.2-SNAPSHOT + 5.3.0 compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 5b0ed01b0b..63c44e9a46 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.2.2-SNAPSHOT + 5.3.0 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index 1a0c7c571c..6ba22d8c87 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.2.2-SNAPSHOT + 5.3.0 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 5.2.2-SNAPSHOT + 5.3.0 compile org.biojava biojava-alignment - 5.2.2-SNAPSHOT + 5.3.0 compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index f5f897bf34..abca836653 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.2.2-SNAPSHOT + 5.3.0 biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 5.2.2-SNAPSHOT + 5.3.0 diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index 99e399c4af..70caa2353b 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.2.2-SNAPSHOT + 5.3.0 biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 5.2.2-SNAPSHOT + 5.3.0 jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index 822b6633e1..5385fbc1ba 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 5.2.2-SNAPSHOT + 5.3.0 biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index 4f174d45b3..329b532f18 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.2.2-SNAPSHOT + 5.3.0 biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 5.2.2-SNAPSHOT + 5.3.0 diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index 3d3f4fc444..d2bd10620f 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.2.2-SNAPSHOT + 5.3.0 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 5.2.2-SNAPSHOT + 5.3.0 compile org.biojava biojava-core - 5.2.2-SNAPSHOT + 5.3.0 compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index e5eff3836d..e81be93d83 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.2.2-SNAPSHOT + 5.3.0 biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 5.2.2-SNAPSHOT + 5.3.0 compile org.biojava biojava-core - 5.2.2-SNAPSHOT + 5.3.0 compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index 24d90c1229..c8cc614008 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 5.2.2-SNAPSHOT + 5.3.0 biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index 921d13b025..08ccc0df63 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.2.2-SNAPSHOT + 5.3.0 biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 5.2.2-SNAPSHOT + 5.3.0 compile diff --git a/pom.xml b/pom.xml index b64643c44d..2a63a6f714 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 5.2.2-SNAPSHOT + 5.3.0 biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -49,7 +49,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - HEAD + biojava-5.3.0 diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index 376eefa966..092dbc3d0b 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.3.0 + 5.3.1-SNAPSHOT biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 5.3.0 + 5.3.1-SNAPSHOT compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 63c44e9a46..b465a40a36 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.3.0 + 5.3.1-SNAPSHOT 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index 6ba22d8c87..bd67b30190 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.3.0 + 5.3.1-SNAPSHOT 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 5.3.0 + 5.3.1-SNAPSHOT compile org.biojava biojava-alignment - 5.3.0 + 5.3.1-SNAPSHOT compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index abca836653..7367654c01 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.3.0 + 5.3.1-SNAPSHOT biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 5.3.0 + 5.3.1-SNAPSHOT diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index 70caa2353b..5367030867 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.3.0 + 5.3.1-SNAPSHOT biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 5.3.0 + 5.3.1-SNAPSHOT jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index 5385fbc1ba..b6a4fa0967 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 5.3.0 + 5.3.1-SNAPSHOT biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index 329b532f18..982a4d170b 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.3.0 + 5.3.1-SNAPSHOT biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 5.3.0 + 5.3.1-SNAPSHOT diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index d2bd10620f..e6605344bc 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.3.0 + 5.3.1-SNAPSHOT 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 5.3.0 + 5.3.1-SNAPSHOT compile org.biojava biojava-core - 5.3.0 + 5.3.1-SNAPSHOT compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index e81be93d83..688984e845 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.3.0 + 5.3.1-SNAPSHOT biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 5.3.0 + 5.3.1-SNAPSHOT compile org.biojava biojava-core - 5.3.0 + 5.3.1-SNAPSHOT compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index c8cc614008..479b57276b 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 5.3.0 + 5.3.1-SNAPSHOT biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index 08ccc0df63..8df54334cf 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.3.0 + 5.3.1-SNAPSHOT biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 5.3.0 + 5.3.1-SNAPSHOT compile diff --git a/pom.xml b/pom.xml index 2a63a6f714..9ff4c461ee 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 5.3.0 + 5.3.1-SNAPSHOT biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -49,7 +49,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - biojava-5.3.0 + HEAD From 761799b7e8c727d573fa834a5bb36959a0292b10 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sat, 9 Nov 2019 22:17:56 -0800 Subject: [PATCH 072/821] Fixing issue: no bonds between different altloc atoms --- .../org/biojava/nbio/structure/AtomImpl.java | 2 +- .../biojava/nbio/structure/HetatomImpl.java | 47 +++------- .../biojava/nbio/structure/io/BondMaker.java | 18 ++-- .../biojava/nbio/structure/TestAltLocs.java | 93 +++++++++++++++++++ 4 files changed, 115 insertions(+), 45 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomImpl.java index 10e16b4313..a270b06983 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomImpl.java @@ -309,7 +309,7 @@ public void setBonds(List bonds) { @Override public void addBond(Bond bond) { if (bonds==null) { - bonds = new ArrayList(BONDS_INITIAL_CAPACITY); + bonds = new ArrayList<>(BONDS_INITIAL_CAPACITY); } bonds.add(bond); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java index f89812487a..cc5356b942 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java @@ -77,7 +77,7 @@ public class HetatomImpl implements Group { * Behaviors for how to balance memory vs. performance. * @author Andreas Prlic */ - public static enum PerformanceBehavior { + public enum PerformanceBehavior { /** use a built-in HashMap for faster access to memory, at the price of more memory consumption */ BETTER_PERFORMANCE_MORE_MEMORY, @@ -87,7 +87,7 @@ public static enum PerformanceBehavior { } - public static PerformanceBehavior performanceBehavior=PerformanceBehavior.LESS_MEMORY_SLOWER_PERFORMANCE; + private static PerformanceBehavior performanceBehavior=PerformanceBehavior.LESS_MEMORY_SLOWER_PERFORMANCE; private Map atomNameLookup; @@ -105,42 +105,28 @@ public HetatomImpl() { pdb_name = null ; residueNumber = null; - atoms = new ArrayList(); - properties = new HashMap(); + atoms = new ArrayList<>(); + properties = new HashMap<>(); parent = null; chemComp = null; altLocs = null; if ( performanceBehavior == PerformanceBehavior.BETTER_PERFORMANCE_MORE_MEMORY) - atomNameLookup = new HashMap(); + atomNameLookup = new HashMap<>(); else atomNameLookup = null; } - - /** - * returns true or false, depending if this group has 3D coordinates or not. - * @return true if Group has 3D coordinates - */ @Override public boolean has3D() { return pdb_flag; } - /** flag if group has 3D data. - * - * @param flag true to set flag that this Group has 3D coordinates - */ @Override public void setPDBFlag(boolean flag){ pdb_flag = flag ; } - /** Set three character name of Group . - * - * @param s a String specifying the PDBName value - * @see #getPDBName - */ @Override public void setPDBName(String s) { // hetatoms can have pdb_name length < 3. e.g. CU (see 1a4a position 1200 ) @@ -152,12 +138,6 @@ public void setPDBName(String s) { } - /** - * Returns the PDBName. - * - * @return a String representing the PDBName value - * @see #setPDBName - */ @Override public String getPDBName() { return pdb_name;} @@ -187,12 +167,8 @@ public void addAtom(Atom atom){ logger.warn("An atom with name " + atom.getName() + " " + altLocStr + " is already present in group: " + this.toString() + ". The atom with serial " + atom.getPDBserial() + " will be ignored in look-ups."); } } - }; - + } - /** remove all atoms - * - */ @Override public void clearAtoms() { atoms.clear(); @@ -245,8 +221,7 @@ public Atom getAtom(String name) { if ( atomNameLookup != null) return atomNameLookup.get(name); else { - /** This is the performance penalty we pay for NOT using the atomnameLookup in PerformanceBehaviour.LESS_MEMORY_SLOWER_PERFORMANCE - */ + // This is the performance penalty we pay for NOT using the atomnameLookup in PerformanceBehaviour.LESS_MEMORY_SLOWER_PERFORMANCE for (Atom a : atoms) { if (a.getName().equals(name)) { return a; @@ -588,7 +563,7 @@ public boolean hasAltLoc() { @Override public List getAltLocs() { if ( altLocs == null) - return new ArrayList(); + return new ArrayList<>(); return altLocs; } @@ -629,7 +604,7 @@ public Group getAltLocGroup(Character altLoc) { @Override public void addAltLoc(Group group) { if ( altLocs == null) { - altLocs = new ArrayList(); + altLocs = new ArrayList<>(); } altLocs.add(group); @@ -663,10 +638,10 @@ public void trimToSize(){ } // now let's fit the hashmaps to size - properties = new HashMap(properties); + properties = new HashMap<>(properties); if ( atomNameLookup != null) - atomNameLookup = new HashMap(atomNameLookup); + atomNameLookup = new HashMap<>(atomNameLookup); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java index 2b184063c5..0715cf4792 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java @@ -200,10 +200,7 @@ private void formIntraResidueBonds() { // Now add support for altLocGroup List totList = new ArrayList(); totList.add(mainGroup); - for(Group altLoc: mainGroup.getAltLocs()){ - totList.add(altLoc); - } - + totList.addAll(mainGroup.getAltLocs()); // Now iterate through this list for(Group group : totList){ @@ -216,15 +213,19 @@ private void formIntraResidueBonds() { Atom a = getAtom(chemCompBond.getAtom_id_1(), group); Atom b = getAtom(chemCompBond.getAtom_id_2(), group); if ( a != null && b != null){ + + // if they are different altlocs there must be no bond + if (a.getAltLoc() != b.getAltLoc()) + continue; + int bondOrder = chemCompBond.getNumericalBondOrder(); logger.debug("Forming bond between atoms {}-{} and {}-{} with bond order {}", a.getPDBserial(), a.getName(), b.getPDBserial(), b.getName(), bondOrder); new BondImpl(a, b, bondOrder); } - else{ - // Some of the atoms were missing. That's fine, there's - // nothing to do in this case. - } + // Else: Some of the atoms were missing. That's fine, there's + // nothing to do in this case. + } } } @@ -235,6 +236,7 @@ private void formIntraResidueBonds() { private Atom getAtom(String atomId, Group group) { Atom a = group.getAtom(atomId); + // Check for deuteration if(a==null && atomId.startsWith("H")) { a = group.getAtom(atomId.replaceFirst("H", "D")); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java index 7224a29247..37e4ef62ea 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java @@ -754,4 +754,97 @@ public void testMmcifConversionAllAltlocs() throws IOException { } + /** + * Test that bonds between alt locs link atoms with same altloc codes + * https://github.com/rcsb/mmtf/issues/44 + */ + @Test + public void testBondsBetweenAltlocs() throws IOException { + String mmcifData = + "data_test\n" + + "loop_\n" + + "_atom_site.group_PDB \n" + + "_atom_site.id \n" + + "_atom_site.type_symbol \n" + + "_atom_site.label_atom_id \n" + + "_atom_site.label_alt_id \n" + + "_atom_site.label_comp_id \n" + + "_atom_site.label_asym_id \n" + + "_atom_site.label_entity_id \n" + + "_atom_site.label_seq_id \n" + + "_atom_site.pdbx_PDB_ins_code \n" + + "_atom_site.Cartn_x \n" + + "_atom_site.Cartn_y \n" + + "_atom_site.Cartn_z \n" + + "_atom_site.occupancy \n" + + "_atom_site.B_iso_or_equiv \n" + + "_atom_site.pdbx_formal_charge \n" + + "_atom_site.auth_seq_id \n" + + "_atom_site.auth_comp_id \n" + + "_atom_site.auth_asym_id \n" + + "_atom_site.auth_atom_id \n" + + "_atom_site.pdbx_PDB_model_num \n" + + "ATOM 1405 N N A MET A 1 86 ? 10.748 -17.610 -6.975 0.47 16.12 ? 104 MET A N 1 \n" + + "ATOM 1406 N N B MET A 1 86 ? 10.802 -17.694 -6.986 0.53 17.92 ? 104 MET A N 1 \n" + + "ATOM 1407 C CA A MET A 1 86 ? 11.189 -17.392 -5.610 0.47 15.78 ? 104 MET A CA 1 \n" + + "ATOM 1408 C CA B MET A 1 86 ? 11.033 -17.368 -5.587 0.53 18.29 ? 104 MET A CA 1 \n" + + "ATOM 1409 C C A MET A 1 86 ? 10.952 -18.663 -4.810 0.47 15.91 ? 104 MET A C 1 \n" + + "ATOM 1410 C C B MET A 1 86 ? 10.882 -18.643 -4.767 0.53 17.40 ? 104 MET A C 1 \n" + + "ATOM 1411 O O A MET A 1 86 ? 10.120 -19.504 -5.154 0.47 18.21 ? 104 MET A O 1 \n" + + "ATOM 1412 O O B MET A 1 86 ? 10.018 -19.474 -5.052 0.53 20.02 ? 104 MET A O 1 \n" + + "ATOM 1413 C CB A MET A 1 86 ? 10.477 -16.204 -4.933 0.47 17.14 ? 104 MET A CB 1 \n" + + "ATOM 1414 C CB B MET A 1 86 ? 10.001 -16.336 -5.111 0.53 18.92 ? 104 MET A CB 1 \n" + + "ATOM 1415 C CG A MET A 1 86 ? 9.019 -16.476 -4.619 0.47 20.01 ? 104 MET A CG 1 \n" + + "ATOM 1416 C CG B MET A 1 86 ? 10.030 -16.038 -3.634 0.53 19.12 ? 104 MET A CG 1 \n" + + "ATOM 1417 S SD A MET A 1 86 ? 8.207 -15.088 -3.838 0.47 22.06 ? 104 MET A SD 1 \n" + + "ATOM 1418 S SD B MET A 1 86 ? 8.874 -14.724 -3.205 0.53 20.16 ? 104 MET A SD 1 \n" + + "ATOM 1419 C CE A MET A 1 86 ? 9.151 -14.973 -2.340 0.47 25.15 ? 104 MET A CE 1 \n" + + "ATOM 1420 C CE B MET A 1 86 ? 7.269 -15.536 -3.380 0.53 20.38 ? 104 MET A CE 1 \n" + + "ATOM 1421 H H A MET A 1 86 ? 9.931 -18.207 -7.055 0.47 15.58 ? 104 MET A H 1 \n" + + "ATOM 1422 H H B MET A 1 86 ? 10.144 -18.461 -7.109 0.53 18.91 ? 104 MET A H 1 \n" + + "ATOM 1423 H HA A MET A 1 86 ? 12.256 -17.182 -5.644 0.47 15.14 ? 104 MET A HA 1 \n" + + "ATOM 1424 H HA B MET A 1 86 ? 12.033 -16.953 -5.465 0.53 19.55 ? 104 MET A HA 1 \n" + + "ATOM 1425 H HB2 A MET A 1 86 ? 10.986 -15.920 -4.008 0.47 17.68 ? 104 MET A HB2 1 \n" + + "ATOM 1426 H HB3 A MET A 1 86 ? 10.484 -15.364 -5.622 0.47 17.68 ? 104 MET A HB3 1 \n" + + "ATOM 1427 H HB3 B MET A 1 86 ? 9.001 -16.676 -5.398 0.53 20.49 ? 104 MET A HB3 1 \n" + + "ATOM 1428 H HG2 A MET A 1 86 ? 8.490 -16.704 -5.546 0.47 20.93 ? 104 MET A HG2 1 \n" + + "ATOM 1429 H HG3 A MET A 1 86 ? 8.956 -17.315 -3.927 0.47 20.93 ? 104 MET A HG3 1 \n" + + "ATOM 1430 H HE2 A MET A 1 86 ? 9.861 -14.153 -2.440 0.47 27.31 ? 104 MET A HE2 1 \n" + + "ATOM 1431 H HE2 B MET A 1 86 ? 7.346 -16.554 -2.998 0.53 23.03 ? 104 MET A HE2 1 \n" + + "ATOM 1432 H HE3 B MET A 1 86 ? 6.996 -15.566 -4.437 0.53 23.03 ? 104 MET A HE3 1 "; + + SimpleMMcifParser parser = new SimpleMMcifParser(); + SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); + parser.addMMcifConsumer(consumer); + + FileParsingParameters params = new FileParsingParameters(); + params.setCreateAtomBonds(true); + consumer.setFileParsingParameters(params); + + BufferedReader buf = new BufferedReader(new StringReader(mmcifData)); + parser.parse(buf); + buf.close(); + + Structure s = consumer.getStructure(); + Chain c = s.getPolyChains().get(0); + assertEquals(1, c.getAtomGroups().size()); + + Group g = c.getAtomGroup(0); + + assertEquals(1, g.getAltLocs().size()); + + for (Atom a : g.getAtoms()) { + for (Bond b : a.getBonds()) { +// if (b.getAtomA().getAltLoc() != b.getAtomB().getAltLoc()) { +// System.out.println( +// b.getAtomA().toString() + ":" + b.getAtomA().getAltLoc() + " --- " + +// b.getAtomB().toString() + ":" + b.getAtomB().getAltLoc()); +// } + assertEquals(b.getAtomA().toString() + " --- " + b.getAtomB().toString(), + b.getAtomA().getAltLoc(), b.getAtomB().getAltLoc()); + } + } + + } + } From 408c8accefb0863507e291b418599ec450667ff5 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sat, 9 Nov 2019 22:43:37 -0800 Subject: [PATCH 073/821] Extending test --- .../java/org/biojava/nbio/structure/TestAltLocs.java | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java index 37e4ef62ea..28db8cd8f0 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java @@ -833,6 +833,7 @@ public void testBondsBetweenAltlocs() throws IOException { assertEquals(1, g.getAltLocs().size()); + boolean foundCEHE3bond = false; for (Atom a : g.getAtoms()) { for (Bond b : a.getBonds()) { // if (b.getAtomA().getAltLoc() != b.getAtomB().getAltLoc()) { @@ -840,11 +841,21 @@ public void testBondsBetweenAltlocs() throws IOException { // b.getAtomA().toString() + ":" + b.getAtomA().getAltLoc() + " --- " + // b.getAtomB().toString() + ":" + b.getAtomB().getAltLoc()); // } + // no bonds between atoms with different alt locs assertEquals(b.getAtomA().toString() + " --- " + b.getAtomB().toString(), b.getAtomA().getAltLoc(), b.getAtomB().getAltLoc()); + + // a bond should exist between CE and HE3 but only for altloc=B + if ((b.getAtomA().getName().equals("CE") && b.getAtomB().getName().equals("HE3")) || + (b.getAtomA().getName().equals("HE3") && b.getAtomB().getName().equals("CE")) ) { + foundCEHE3bond = true; + } } } + // there should be a bond between CE and HE3 but only for altloc=B + assertTrue(foundCEHE3bond); + } } From 7c7caa274420e3399d4c969b0feb795979e6d71d Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Mon, 11 Nov 2019 21:29:52 -0800 Subject: [PATCH 074/821] Now all tests pass --- .../java/org/biojava/nbio/structure/io/BondMaker.java | 9 +++++++-- .../java/org/biojava/nbio/structure/TestAltLocs.java | 4 ++-- 2 files changed, 9 insertions(+), 4 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java index 0715cf4792..f829f22718 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java @@ -214,9 +214,14 @@ private void formIntraResidueBonds() { Atom b = getAtom(chemCompBond.getAtom_id_2(), group); if ( a != null && b != null){ - // if they are different altlocs there must be no bond - if (a.getAltLoc() != b.getAltLoc()) + // if they are different altlocs (when different from the '.' case) there must be no bond + if (a.getAltLoc() != null && b.getAltLoc()!=null && + a.getAltLoc()!=' ' && b.getAltLoc()!=' ' && + a.getAltLoc() != b.getAltLoc()) { + logger.debug("Skipping bond between atoms with differently named alt locs {} (altLoc '{}') -- {} (altLoc '{}')", + a.toString(), a.getAltLoc(), b.toString(), b.getAltLoc()); continue; + } int bondOrder = chemCompBond.getNumericalBondOrder(); logger.debug("Forming bond between atoms {}-{} and {}-{} with bond order {}", diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java index 28db8cd8f0..c1e38280c6 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java @@ -838,8 +838,8 @@ public void testBondsBetweenAltlocs() throws IOException { for (Bond b : a.getBonds()) { // if (b.getAtomA().getAltLoc() != b.getAtomB().getAltLoc()) { // System.out.println( -// b.getAtomA().toString() + ":" + b.getAtomA().getAltLoc() + " --- " + -// b.getAtomB().toString() + ":" + b.getAtomB().getAltLoc()); +// b.getAtomA().toString() + ": '" + b.getAtomA().getAltLoc() + "' --- " + +// b.getAtomB().toString() + ": '" + b.getAtomB().getAltLoc() + "'"); // } // no bonds between atoms with different alt locs assertEquals(b.getAtomA().toString() + " --- " + b.getAtomB().toString(), From 0ff1823543a133e42e7f09e32003fca4a0fd894f Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Mon, 11 Nov 2019 21:39:04 -0800 Subject: [PATCH 075/821] Clarifying docs and some more cleanup --- .../java/org/biojava/nbio/structure/Atom.java | 3 +- .../org/biojava/nbio/structure/AtomImpl.java | 9 ------ .../biojava/nbio/structure/HetatomImpl.java | 30 +------------------ 3 files changed, 3 insertions(+), 39 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/Atom.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/Atom.java index ebd67c0a8c..7b1c722bd9 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/Atom.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/Atom.java @@ -163,7 +163,8 @@ public interface Atom extends Cloneable, PDBRecord { /** * Get alternate Location. - * @return a Character object representing the alt loc value + * @return a Character object representing the alt loc value. Default altLoc ('.' in mmCIF files) + * is represented by ' ' (space character, ascii 32). * @see #setAltLoc */ public Character getAltLoc(); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomImpl.java index a270b06983..36ccf49efb 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomImpl.java @@ -157,10 +157,6 @@ public void setZ(double z) { @Override public double getZ() { return coords.z; } - /** - * Set alternate Location. - * @see #getAltLoc - */ @Override public void setAltLoc(Character c) { // after changing altLoc from Character to char, we do this to keep the interface the same as it used to be - JD 2016-01-27 @@ -170,11 +166,6 @@ public void setAltLoc(Character c) { altLoc = c ; } - /** - * Get alternate Location. - * @return a Character object representing the alt loc value - * @see #setAltLoc - */ @Override public Character getAltLoc() { // after changing altLoc from Character to char, we do this to keep the interface the same as it used to be - JD 2016-01-27 diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java index cc5356b942..037dcb2b0b 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java @@ -254,16 +254,13 @@ public boolean hasAtom(String fullName) { Atom a = atomNameLookup.get(fullName.trim()); return a != null; } else { - /** This is the performance penalty we pay for NOT using the atomnameLookup in PerformanceBehaviour.LESS_MEMORY_SLOWER_PERFORMANCE - */ + // This is the performance penalty we pay for NOT using the atomnameLookup in PerformanceBehaviour.LESS_MEMORY_SLOWER_PERFORMANCE for (Atom a : atoms) { if (a.getName().equals(fullName)) { return true; } } return false; - - } } @@ -375,42 +372,21 @@ public void setProperties(Map props) { properties = props ; } - /** return properties. - * - * @return a HashMap object representing the properties value - * @see #setProperties - */ @Override public Map getProperties() { return properties ; } - /** set a single property . - * - * @see #getProperties - * @see #getProperty - */ @Override public void setProperty(String key, Object value){ properties.put(key,value); } - /** get a single property . - * @param key a String - * @return an Object - * @see #setProperty - * @see #setProperties - */ @Override public Object getProperty(String key){ return properties.get(key); } - - /** return an AtomIterator. - * - * @return an Iterator object - */ @Override public Iterator iterator() { return new AtomIterator(this); @@ -615,10 +591,6 @@ public boolean isWater() { return GroupType.WATERNAMES.contains(pdb_name); } - /** attempts to reduce the memory imprint of this group by trimming - * all internal Collection objects to the required size. - * - */ @Override public void trimToSize(){ From a29f88187b6871d21bfc5cab9918a95026ec4b28 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Tue, 12 Nov 2019 17:01:37 -0800 Subject: [PATCH 076/821] Covering another alt loc bond edge case --- .../biojava/nbio/structure/io/BondMaker.java | 45 +++-- .../io/mmcif/SimpleMMcifConsumer.java | 4 +- .../biojava/nbio/structure/TestAltLocs.java | 167 +++++++++++++++++- 3 files changed, 200 insertions(+), 16 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java index f829f22718..3689f459e3 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java @@ -128,30 +128,51 @@ private void formPeptideBonds() { continue; } - Atom carboxylC; - Atom aminoN; + List carboxylCs = getAtoms(tail, "C"); + List aminoNs = getAtoms(head, "N"); - carboxylC = tail.getC(); - aminoN = head.getN(); - - - if (carboxylC == null || aminoN == null) { + if (carboxylCs.isEmpty() || aminoNs.isEmpty()) { // some structures may be incomplete and not store info // about all of their atoms - continue; } - - if (Calc.getDistance(carboxylC, aminoN) < MAX_PEPTIDE_BOND_LENGTH) { - new BondImpl(carboxylC, aminoN, 1); + for (Atom carboxylC:carboxylCs) { + for (Atom aminoN:aminoNs) { + if (carboxylC.getAltLoc() != null && aminoN.getAltLoc()!=null && + carboxylC.getAltLoc()!=' ' && aminoN.getAltLoc()!=' ' && + carboxylC.getAltLoc() != aminoN.getAltLoc()) { + logger.debug("Skipping peptide bond between atoms with differently named alt locs {} (altLoc '{}') -- {} (altLoc '{}')", + carboxylC.toString(), carboxylC.getAltLoc(), aminoN.toString(), aminoN.getAltLoc()); + continue; + } + if (Calc.getDistance(carboxylC, aminoN) < MAX_PEPTIDE_BOND_LENGTH) { + new BondImpl(carboxylC, aminoN, 1); + } + } } - } } } } + /** + * Get all atoms (including possible alt locs) in given group that are name with the given atom name + * @param g the group + * @param name the atom name + * @return list of all atoms, or empty list if no atoms with the name + */ + private List getAtoms(Group g, String name) { + List atoms = new ArrayList<>(); + List groupsWithAltLocs = new ArrayList<>(); + groupsWithAltLocs.add(g); + groupsWithAltLocs.addAll(g.getAltLocs()); + for (Group group : groupsWithAltLocs) { + atoms.add(group.getAtom(name)); + } + return atoms; + } + private void formNucleotideBonds() { for (int modelInd=0; modelInd bonds = new ArrayList<>(); + for (Bond b : catom.getBonds()) { + if (b.getAtomA().getName().equals("N") || b.getAtomB().getName().equals("N")) { + bonds.add(b); + } + } + + assertEquals(2, bonds.size()); + + Set seenAltLocs = new HashSet<>(); + for (Bond b : bonds) { + Atom aAtom = b.getAtomA(); + Atom bAtom = b.getAtomB(); + Atom nAtom; + if (aAtom.getName().equals("N")) { + nAtom = aAtom; + } else { + nAtom = bAtom; + } + seenAltLocs.add(nAtom.getAltLoc()); + } + // 2 distinct N atoms: alt loc A and B + assertEquals(2, seenAltLocs.size()); + assertTrue(seenAltLocs.contains('A')); + assertTrue(seenAltLocs.contains('B')); + + } + + } From b889140cee99cd5b1745c6b4c4059e487d576489 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Tue, 12 Nov 2019 21:46:40 -0800 Subject: [PATCH 077/821] Extracted common method, now covering nucleotide bonds --- .../biojava/nbio/structure/io/BondMaker.java | 103 +++++++++--------- 1 file changed, 54 insertions(+), 49 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java index 3689f459e3..beed12e2e2 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java @@ -128,51 +128,12 @@ private void formPeptideBonds() { continue; } - List carboxylCs = getAtoms(tail, "C"); - List aminoNs = getAtoms(head, "N"); - - if (carboxylCs.isEmpty() || aminoNs.isEmpty()) { - // some structures may be incomplete and not store info - // about all of their atoms - continue; - } - - for (Atom carboxylC:carboxylCs) { - for (Atom aminoN:aminoNs) { - if (carboxylC.getAltLoc() != null && aminoN.getAltLoc()!=null && - carboxylC.getAltLoc()!=' ' && aminoN.getAltLoc()!=' ' && - carboxylC.getAltLoc() != aminoN.getAltLoc()) { - logger.debug("Skipping peptide bond between atoms with differently named alt locs {} (altLoc '{}') -- {} (altLoc '{}')", - carboxylC.toString(), carboxylC.getAltLoc(), aminoN.toString(), aminoN.getAltLoc()); - continue; - } - if (Calc.getDistance(carboxylC, aminoN) < MAX_PEPTIDE_BOND_LENGTH) { - new BondImpl(carboxylC, aminoN, 1); - } - } - } + formBondAltlocAware(tail, "C", head, "N", MAX_PEPTIDE_BOND_LENGTH, 1); } } } } - /** - * Get all atoms (including possible alt locs) in given group that are name with the given atom name - * @param g the group - * @param name the atom name - * @return list of all atoms, or empty list if no atoms with the name - */ - private List getAtoms(Group g, String name) { - List atoms = new ArrayList<>(); - List groupsWithAltLocs = new ArrayList<>(); - groupsWithAltLocs.add(g); - groupsWithAltLocs.addAll(g.getAltLocs()); - for (Group group : groupsWithAltLocs) { - atoms.add(group.getAtom(name)); - } - return atoms; - } - private void formNucleotideBonds() { for (int modelInd=0; modelInd a1s = getAtoms(g1, name1); + List a2s = getAtoms(g2, name2); - if (Calc.getDistance(phosphorous, oThreePrime) < MAX_NUCLEOTIDE_BOND_LENGTH) { - new BondImpl(phosphorous, oThreePrime, 1); - } + if (a1s.isEmpty() || a2s.isEmpty()) { + // some structures may be incomplete and not store info + // about all of their atoms + return; + } + for (Atom a1:a1s) { + for (Atom a2:a2s) { + if (a1.getAltLoc() != null && a2.getAltLoc()!=null && + a1.getAltLoc()!=' ' && a2.getAltLoc()!=' ' && + a1.getAltLoc() != a2.getAltLoc()) { + logger.debug("Skipping bond between atoms with differently named alt locs {} (altLoc '{}') -- {} (altLoc '{}')", + a1.toString(), a1.getAltLoc(), a2.toString(), a2.getAltLoc()); + continue; + } + if (Calc.getDistance(a1, a2) < maxAllowedLength) { + new BondImpl(a1, a2, bondOrder); } } } } + /** + * Get all atoms (including possible alt locs) in given group that are name with the given atom name + * @param g the group + * @param name the atom name + * @return list of all atoms, or empty list if no atoms with the name + */ + private List getAtoms(Group g, String name) { + List atoms = new ArrayList<>(); + List groupsWithAltLocs = new ArrayList<>(); + groupsWithAltLocs.add(g); + groupsWithAltLocs.addAll(g.getAltLocs()); + for (Group group : groupsWithAltLocs) { + Atom a = group.getAtom(name); + if (a!=null) + atoms.add(a); + } + return atoms; + } + private void formIntraResidueBonds() { for (int modelInd=0; modelInd Date: Tue, 12 Nov 2019 22:19:28 -0800 Subject: [PATCH 078/821] Consolidating on a single method call for all alt loc bond business --- .../biojava/nbio/structure/io/BondMaker.java | 127 ++++++++---------- 1 file changed, 57 insertions(+), 70 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java index beed12e2e2..bb92724aa4 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java @@ -159,14 +159,48 @@ private void formNucleotideBonds() { } } + private void formIntraResidueBonds() { + for (int modelInd=0; modelInd groups = chain.getAtomGroups(); + for (Group mainGroup : groups) { + // atoms with no residue number don't have atom information + if (mainGroup.getResidueNumber() == null) { + continue; + } + // Now add support for altLocGroup + List totList = new ArrayList(); + totList.add(mainGroup); + totList.addAll(mainGroup.getAltLocs()); + + // Now iterate through this list + for(Group group : totList){ + + ChemComp aminoChemComp = ChemCompGroupFactory.getChemComp(group.getPDBName()); + logger.debug("chemcomp for residue {}-{} has {} atoms and {} bonds", + group.getPDBName(), group.getResidueNumber(), aminoChemComp.getAtoms().size(), aminoChemComp.getBonds().size()); + + for (ChemCompBond chemCompBond : aminoChemComp.getBonds()) { + // note we don't check distance to make this call not too expensive + formBondAltlocAware(group, chemCompBond.getAtom_id_1(), + group, chemCompBond.getAtom_id_2(), -1, chemCompBond.getNumericalBondOrder()); + } + } + } + } + + } + } + /** * Form bond between atoms of the given names and groups, respecting alt loc rules to form bonds: - * no bonds between differently named alt locs (not default) and all bonds for default alt loc to named alt loc. + * no bonds between differently named alt locs (that are not the default alt loc '.') + * and multiple bonds for default alt loc to named alt loc. * @param g1 first group * @param name1 name of atom in first group * @param g2 second group * @param name2 name of atom in second group - * @param maxAllowedLength max length, if atoms distance above this length no bond will be added + * @param maxAllowedLength max length, if atoms distance above this length no bond will be added. If negative no check on distance is performed. * @param bondOrder the bond order to be set in the created bond(s) */ private void formBondAltlocAware(Group g1, String name1, Group g2, String name2, double maxAllowedLength, int bondOrder) { @@ -188,8 +222,20 @@ private void formBondAltlocAware(Group g1, String name1, Group g2, String name2, a1.toString(), a1.getAltLoc(), a2.toString(), a2.getAltLoc()); continue; } - if (Calc.getDistance(a1, a2) < maxAllowedLength) { + if (maxAllowedLength<0) { + // negative maxAllowedLength means we don't check distance and always add bond + logger.debug("Forming bond between atoms {}-{} and {}-{} with bond order {}", + a1.getPDBserial(), a1.getName(), a2.getPDBserial(), a2.getName(), bondOrder); new BondImpl(a1, a2, bondOrder); + } else { + if (Calc.getDistance(a1, a2) < maxAllowedLength) { + logger.debug("Forming bond between atoms {}-{} and {}-{} with bond order {}. Distance is below {}", + a1.getPDBserial(), a1.getName(), a2.getPDBserial(), a2.getName(), bondOrder, maxAllowedLength); + new BondImpl(a1, a2, bondOrder); + } else { + logger.debug("Not forming bond between atoms {}-{} and {}-{} with bond order {}, because distance is above {}", + a1.getPDBserial(), a1.getName(), a2.getPDBserial(), a2.getName(), bondOrder, maxAllowedLength); + } } } } @@ -208,77 +254,18 @@ private List getAtoms(Group g, String name) { groupsWithAltLocs.addAll(g.getAltLocs()); for (Group group : groupsWithAltLocs) { Atom a = group.getAtom(name); - if (a!=null) - atoms.add(a); - } - return atoms; - } - - private void formIntraResidueBonds() { - for (int modelInd=0; modelInd groups = chain.getAtomGroups(); - for (Group mainGroup : groups) { - // atoms with no residue number don't have atom information - if (mainGroup.getResidueNumber() == null) { - continue; - } - // Now add support for altLocGroup - List totList = new ArrayList(); - totList.add(mainGroup); - totList.addAll(mainGroup.getAltLocs()); - - // Now iterate through this list - for(Group group : totList){ - - ChemComp aminoChemComp = ChemCompGroupFactory.getChemComp(group.getPDBName()); - logger.debug("chemcomp for residue {}-{} has {} atoms and {} bonds", - group.getPDBName(), group.getResidueNumber(), aminoChemComp.getAtoms().size(), aminoChemComp.getBonds().size()); - - for (ChemCompBond chemCompBond : aminoChemComp.getBonds()) { - Atom a = getAtom(chemCompBond.getAtom_id_1(), group); - Atom b = getAtom(chemCompBond.getAtom_id_2(), group); - if ( a != null && b != null){ - - // if they are different altlocs (when different from the '.' case) there must be no bond - if (a.getAltLoc() != null && b.getAltLoc()!=null && - a.getAltLoc()!=' ' && b.getAltLoc()!=' ' && - a.getAltLoc() != b.getAltLoc()) { - logger.debug("Skipping bond between atoms with differently named alt locs {} (altLoc '{}') -- {} (altLoc '{}')", - a.toString(), a.getAltLoc(), b.toString(), b.getAltLoc()); - continue; - } - - int bondOrder = chemCompBond.getNumericalBondOrder(); - logger.debug("Forming bond between atoms {}-{} and {}-{} with bond order {}", - a.getPDBserial(), a.getName(), b.getPDBserial(), b.getName(), bondOrder); - new BondImpl(a, b, bondOrder); - } - // Else: Some of the atoms were missing. That's fine, there's - // nothing to do in this case. - - } - } - } - } - - } - } - - private Atom getAtom(String atomId, Group group) { - Atom a = group.getAtom(atomId); - - // Check for deuteration - if(a==null && atomId.startsWith("H")) { - a = group.getAtom(atomId.replaceFirst("H", "D")); - // Check it is actually deuterated - if(a!=null){ - if(!a.getElement().equals(Element.D)){ + // Check for deuteration + if (a==null && name.startsWith("H")) { + a = group.getAtom(name.replaceFirst("H", "D")); + // Check it is actually deuterated + if (a!=null && !a.getElement().equals(Element.D)){ a=null; } } + if (a!=null) + atoms.add(a); } - return a; + return atoms; } private void trimBondLists() { From c3633966cba32a6b007025f29e0675459d9a30e6 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Tue, 12 Nov 2019 22:26:28 -0800 Subject: [PATCH 079/821] Docs --- .../main/java/org/biojava/nbio/structure/Group.java | 10 ++++++---- 1 file changed, 6 insertions(+), 4 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java index 6a169dbee5..f2bc5a506a 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java @@ -103,12 +103,13 @@ public interface Group extends Serializable { /** * Set the atoms of this group. - * @see {@link Atom} + * @see Atom * @param atoms a list of atoms */ public void setAtoms(List atoms); - /** Remove all atoms from this group. + /** + * Remove all atoms from this group. * */ public void clearAtoms(); @@ -118,13 +119,14 @@ public interface Group extends Serializable { * Beware that some PDB atom names are ambiguous (e.g. CA, which means C-alpha or Calcium), * ambiguities should not occur within the same group though. To solve these ambiguities * one would need to check the atom returned for the required element with {@link Atom#getElement()} + *

From eca876a7658eb3693a0131ff9a9ccd72bc50ec2b Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 1 Jul 2020 17:41:12 +0000 Subject: [PATCH 178/821] Bump log4j.version from 2.13.1 to 2.13.3 Bumps `log4j.version` from 2.13.1 to 2.13.3. Updates `log4j-slf4j-impl` from 2.13.1 to 2.13.3 Updates `log4j-api` from 2.13.1 to 2.13.3 Updates `log4j-core` from 2.13.1 to 2.13.3 Signed-off-by: dependabot[bot] --- pom.xml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pom.xml b/pom.xml index 85b3c182af..2b2cd74ce8 100644 --- a/pom.xml +++ b/pom.xml @@ -42,7 +42,7 @@ 512M 1.0.9 1.7.30 - 2.13.1 + 2.13.3 scm:git:git://github.com/biojava/biojava.git From b3d6fbaebafc2f32e8936982128774d0dd75e615 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Fri, 3 Jul 2020 08:25:43 -0700 Subject: [PATCH 179/821] Clean up --- .../structure/align/client/JFatCatClient.java | 22 --- .../align/ce/TestWebStartClient.java | 146 ------------------ 2 files changed, 168 deletions(-) delete mode 100644 biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/TestWebStartClient.java diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java index 92c4577115..76cea2c39f 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java @@ -74,28 +74,6 @@ public class JFatCatClient { } - public static void main(String[] args) throws Exception { - //System.out.println(hasPrecalculatedResult("http://source.rcsb.org/jfatcatserver/align/", "jCE Circular Permutation", "1CDG.A", "1TIM.A")); - AtomCache cache = new AtomCache(); - String name1= "2W72.A"; - String name2= "1D2Z.D"; - - Atom[] ca1 = cache.getAtoms(name1); - Atom[] ca2 = cache.getAtoms(name2); - - int timeout = 10000; - - String testServer = "http://source.rcsb.org/jfatcatserver/align/"; - - System.out.println(getAFPChainFromServer(testServer, FatCatRigid.algorithmName, name1, name2, ca1, ca2, timeout)); - - PdbPairsMessage msg = getPdbPairs(testServer, 1, "test"); - - System.out.println(msg); - - System.out.println(getRepresentatives(FarmJobParameters.DEFAULT_SERVER_URL, 40)); - } - public static boolean hasPrecalculatedResult(String serverLocation, String method, String name1, String name2 ){ return hasPrecalculatedResult(serverLocation, method, name1, name2, DEFAULT_TIMEOUT ); } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/TestWebStartClient.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/TestWebStartClient.java deleted file mode 100644 index f62b4b7beb..0000000000 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/TestWebStartClient.java +++ /dev/null @@ -1,146 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on May 18, 2010 - * Author: Andreas Prlic - * - */ - -package org.biojava.nbio.structure.align.ce; - -import org.biojava.nbio.structure.Atom; -import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.align.StructureAlignment; -import org.biojava.nbio.structure.align.StructureAlignmentFactory; -import org.biojava.nbio.structure.align.client.JFatCatClient; -import org.biojava.nbio.structure.align.model.AFPChain; -import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.align.xml.AFPChainFlipper; -import org.biojava.nbio.structure.align.xml.AFPChainXMLConverter; -import org.biojava.nbio.structure.align.xml.AFPChainXMLParser; -import org.biojava.nbio.core.util.PrettyXMLWriter; -import org.junit.Assert; -import org.junit.Test; - -import java.io.IOException; -import java.io.PrintWriter; -import java.io.StringWriter; - - -public class TestWebStartClient { - - @Test - @SuppressWarnings("unused") - public void testCPAlignment(){ - - //String name1="1cdg.A"; - //String name2="1tim.A"; - String name1="1VHR.A"; - String name2="2IHB.A"; - - try { - //StructureAlignment algorithm = StructureAlignmentFactory.getAlgorithm(CeCPMain.algorithmName); - for (StructureAlignment algorithm : StructureAlignmentFactory.getAllAlgorithms()){ - // disable for now - //align(name1,name2,algorithm); - } - } catch (Exception e){ - e.printStackTrace(); - Assert.fail(e.getMessage()); - } - } - - @SuppressWarnings("unused") - private void align(String name1, String name2, StructureAlignment algorithm) - throws StructureException, IOException { - if ( algorithm.getAlgorithmName().startsWith("Smith")) { - System.err.println("not testing SW, no need to run that on server..."); - return; - } - - //System.out.println("testing " + name1 + " " + name2 + " " + algorithm.getAlgorithmName()); - AtomCache cache = new AtomCache(); - - - Atom[] ca1 = cache.getAtoms(name1); - Atom[] ca2 = cache.getAtoms(name2); - - - AFPChain afpChain = algorithm.align(ca1,ca2); - afpChain.setName1(name1); - afpChain.setName2(name2); - - Assert.assertNotNull(afpChain); - Assert.assertNotNull(afpChain.getAlgorithmName()); - Assert.assertTrue(afpChain.getAlgorithmName().equals(algorithm.getAlgorithmName())); - - String xml = AFPChainXMLConverter.toXML(afpChain,ca1,ca2); - - /// SERVER part - String serverLocation = "http://beta.rcsb.org/pdb/rest/"; - AFPChain afpServer = JFatCatClient.getAFPChainFromServer(serverLocation,algorithm.getAlgorithmName(), name1, name2, ca1, ca2, 5000); - Assert.assertNotNull(afpServer); - - Assert.assertTrue("Algorithm names don't match!", afpServer.getAlgorithmName().equals(algorithm.getAlgorithmName())); - Assert.assertTrue("Alignment blockNum < 1", afpServer.getBlockNum() >= 1); - - String xml2 = AFPChainXMLConverter.toXML(afpServer, ca1, ca2); - //System.err.println(" tmp disabled comparison of server and client XML, a minor rounding diff..."); - Assert.assertEquals("The server and the locally calculated XML representations don;t match!", xml, xml2); - - AFPChain afpFlip = AFPChainFlipper.flipChain(afpChain); - String xmlFlipped = AFPChainXMLConverter.toXML(afpFlip, ca2, ca1); - //System.out.println(xmlFlipped); - AFPChain fromXmlFlipped = AFPChainXMLParser.fromXML(xmlFlipped, ca2, ca1); - Assert.assertEquals("The alignment lengths don't match", afpFlip.getNrEQR(), fromXmlFlipped.getNrEQR()); - - String xmlFromFlippled = AFPChainXMLConverter.toXML(fromXmlFlipped,ca2,ca1); - Assert.assertEquals("The XML of the flipped and the recreated from that XML don't match!", xmlFlipped, xmlFromFlippled); - - AFPChain afpBackToOrig = AFPChainFlipper.flipChain(fromXmlFlipped); - //String xml5 = AFPChainXMLConverter.toXML(afpBackToOrig, ca1, ca2); - // ok in the double flipping there are some minor after comma mismatches. - - String xmlShortOrig = getShortXML(afpChain,ca1, ca2); - String xmlShortFinal = getShortXML(afpBackToOrig, ca1, ca2); - Assert.assertEquals("The 2 x flipped alignment does not match the original", xmlShortOrig, xmlShortFinal); - - - - - } - - private String getShortXML(AFPChain afpChain, Atom[] ca1, Atom[] ca2) throws IOException { - - StringWriter result = new StringWriter(); - PrintWriter writer = new PrintWriter(result); - PrettyXMLWriter xml = new PrettyXMLWriter(writer); - xml.openTag("AFPChain"); - //AFPChainXMLConverter.printXMLHeader(xml, afpChain); - int blockNum = afpChain.getBlockNum(); - for(int bk = 0; bk < blockNum; bk ++) { - - xml.openTag("block"); - AFPChainXMLConverter.printXMLEQRInferPositions(xml, afpChain, bk, ca1, ca2); - xml.closeTag("block"); - } - xml.closeTag("AFPChain"); - return result.toString(); - } -} From 13716a375d7eb1211ceb7cf6d43e35aaed252c9c Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Fri, 3 Jul 2020 14:56:00 -0700 Subject: [PATCH 180/821] Removing db-related gui tools --- .../structure/align/gui/AlignmentCalcDB.java | 195 --------- .../structure/align/gui/AlignmentGui.java | 113 ------ .../structure/align/gui/DBResultTable.java | 372 ------------------ .../nbio/structure/align/gui/DBSearchGUI.java | 253 ------------ .../nbio/structure/align/gui/MenuCreator.java | 43 +- .../webstart/WebStartDBSearchResults.java | 64 --- 6 files changed, 1 insertion(+), 1039 deletions(-) delete mode 100644 biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/AlignmentCalcDB.java delete mode 100644 biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/DBResultTable.java delete mode 100644 biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/DBSearchGUI.java delete mode 100644 biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartDBSearchResults.java diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/AlignmentCalcDB.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/AlignmentCalcDB.java deleted file mode 100644 index 74637e4617..0000000000 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/AlignmentCalcDB.java +++ /dev/null @@ -1,195 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Nov 5, 2009 - * Author: Andreas Prlic - * - */ - -package org.biojava.nbio.structure.align.gui; - - -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.align.MultiThreadedDBSearch; -import org.biojava.nbio.structure.align.StructureAlignment; -import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.scop.ScopFactory; - -import java.io.File; -import java.util.concurrent.atomic.AtomicBoolean; -//import org.slf4j.Logger; -//import org.slf4j.LoggerFactory; - -public class AlignmentCalcDB implements AlignmentCalculationRunnable { - - - public static String SCOP_VERSION = "1.75"; - - //private static final Logger logger = LoggerFactory.getLogger(AlignmentCalcDB.class); - - AtomicBoolean interrupted ; - - - String name1; - - Structure structure1; - - AlignmentGui parent; - - UserConfiguration config; - - - String outFile; - - int nrCPUs; - Boolean domainSplit ; - - StructureAlignment customAlgorithm; - - MultiThreadedDBSearch job = null; - - public StructureAlignment getAlgorithm() { - return customAlgorithm; - } - - public void setAlgorithm(StructureAlignment algo) { - this.customAlgorithm = algo; - } - - public AlignmentCalcDB(AlignmentGui parent, Structure s1, String name1, UserConfiguration config,String outFile, Boolean domainSplit) { - - this.parent= parent; - - structure1 = s1; - - this.name1 = name1; - - this.config = config; - //this.representatives = representatives; - interrupted = new AtomicBoolean(false); - this.outFile = outFile; - this.domainSplit = domainSplit; - - System.out.println("AlignmentCalcDB: Using SCOP version " + SCOP_VERSION); - ScopFactory.setScopDatabase(SCOP_VERSION); - - } - - - - @Override - public void run() { - - StructureAlignment algorithm = null; - - if ( parent != null ) - algorithm = parent.getStructureAlignment(); - else { - algorithm = customAlgorithm; - } - - - if ( name1.startsWith("file:/")) - name1= "CUSTOM"; - - job = new MultiThreadedDBSearch(name1,structure1, outFile, algorithm, nrCPUs, domainSplit); - - AtomCache cache = new AtomCache(config); - System.out.println("using cache: " + cache.getPath()); - System.out.println("name1: " + name1); - System.out.println("structure:" + structure1.getName()); - job.setAtomCache(cache); - - if ( name1.equals("CUSTOM")) { - job.setCustomFile1(parent.getDBSearch().getPDBUploadPanel().getFilePath1()); - job.setCustomChain1(parent.getDBSearch().getPDBUploadPanel().getChain1()); - } - - job.run(); - - File resultList = job.getResultFile(); - // if ((now-startTime)/1000 > 30) { - - - // try { - // out.flush(); - // out.close(); - // } catch (Exception e) { - // e.printStackTrace(); - // } - if ( parent != null ) { - parent.notifyCalcFinished(); - if ( resultList != null) { - DBResultTable table = new DBResultTable(); - table.show(resultList,config); - } - } - - } - - - - - - /** stops what is currently happening and does not continue - * - * - */ - @Override - public void interrupt() { - interrupted.set(true); - if ( job != null) - job.interrupt(); - - - - } - - @Override - public void cleanup() - { - parent.notifyCalcFinished(); - - parent=null; - // cleanup... - - structure1 = null; - config = null; - - if ( job != null) - job.cleanup(); - - } - - @Override - public void setNrCPUs(int useNrCPUs) { - nrCPUs = useNrCPUs; - - } - - public synchronized boolean isInterrupted() { - return interrupted.get(); - } - - - - - -} diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/AlignmentGui.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/AlignmentGui.java index c55e6689e3..f334c09e0b 100644 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/AlignmentGui.java +++ b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/AlignmentGui.java @@ -82,9 +82,6 @@ public class AlignmentGui extends JFrame{ JProgressBar progress; - private DBSearchGUI dbsearch; - - public static void main(String[] args){ AlignmentGui.getInstance(); @@ -163,10 +160,6 @@ protected AlignmentGui() { masterPane.addTab("Pairwise Comparison", vBox); - dbsearch = new DBSearchGUI(); - - masterPane.addTab("Database Search",dbsearch); - //JPanel dir = tab1.getPDBDirPanel(pdbDir); Box vBoxMain = Box.createVerticalBox(); @@ -278,8 +271,6 @@ public void actionPerformed(ActionEvent evt) { int selectedIndex = masterPane.getSelectedIndex(); if (selectedIndex == 0) calcAlignment(); - else if ( selectedIndex == 1) - calcDBSearch(); else { System.err.println("Unknown TAB: " + selectedIndex); } @@ -408,110 +399,6 @@ private void calcAlignment() { } - - private void calcDBSearch() { - - JTabbedPane tabPane = dbsearch.getTabPane(); - System.out.println("run DB search " + tabPane.getSelectedIndex()); - - Structure s = null; - boolean domainSplit = dbsearch.isDomainSplit(); - - StructurePairSelector tab = null; - int pos = tabPane.getSelectedIndex(); - - if (pos == 0 ){ - - tab = dbsearch.getSelectPDBPanel(); - - } else if (pos == 1){ - - tab = dbsearch.getScopSelectPanel(); - - - } else if (pos == 2){ - - tab = dbsearch.getPDBUploadPanel(); - - } - - try { - - s = tab.getStructure1(); - - if ( s == null) { - JOptionPane.showMessageDialog(null,"please select structure 1"); - return ; - } - - } catch (Exception e){ - e.printStackTrace(); - } - - String name1 = s.getName(); - if ( name1 == null || name1.equals("")) - name1 = s.getPDBCode(); - - - - System.out.println("name1 in alig gui:" + name1); - String file = dbsearch.getOutFileLocation(); - if ( file == null || file.equals("") ){ - JOptionPane.showMessageDialog(null,"Please select a directory to contain the DB search results."); - return; - } - File outFile = new File(file); - if( !outFile.exists() ) { - outFile.mkdirs(); - } - if( !outFile.isDirectory() || !outFile.canWrite()) { - JOptionPane.showMessageDialog(null,"Unable to write to "+outFile.getAbsolutePath()); - return; - } - - UserConfiguration config = WebStartMain.getWebStartConfig(); - - int totalNrCPUs = Runtime.getRuntime().availableProcessors(); - - int useNrCPUs = 1; - if ( totalNrCPUs > 1){ - Object[] options = new Integer[totalNrCPUs]; - int posX = 0; - for ( int i = totalNrCPUs; i> 0 ; i--){ - options[posX] = i; - posX++; - } - int n = JOptionPane.showOptionDialog(null, - "How many would you like to use for the calculations?", - "We detected " + totalNrCPUs + " processors on your system.", - JOptionPane.OK_CANCEL_OPTION, - JOptionPane.QUESTION_MESSAGE, - null, - options, - options[0]); - - if ( n < 0) - return; - useNrCPUs = (Integer) options[n]; - System.out.println("will use " + useNrCPUs + " CPUs." ); - } - System.out.println("using domainSplit data"); - alicalc = new AlignmentCalcDB(this, s, name1,config,file, domainSplit); - alicalc.setNrCPUs(useNrCPUs); - abortB.setEnabled(true); - progress.setIndeterminate(true); - ProgressThreadDrawer drawer = new ProgressThreadDrawer(progress); - drawer.start(); - - Thread t = new Thread(alicalc); - t.start(); - } - - - public DBSearchGUI getDBSearch(){ - return dbsearch; - } - public void notifyCalcFinished(){ abortB.setEnabled(false); thread = null; diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/DBResultTable.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/DBResultTable.java deleted file mode 100644 index b71b040f8e..0000000000 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/DBResultTable.java +++ /dev/null @@ -1,372 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Nov 6, 2009 - * Author: Andreas Prlic - * - */ - -package org.biojava.nbio.structure.align.gui; - -import org.biojava.nbio.structure.Atom; -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureTools; -import org.biojava.nbio.structure.align.StructureAlignment; -import org.biojava.nbio.structure.align.StructureAlignmentFactory; -import org.biojava.nbio.structure.align.ce.CeMain; -import org.biojava.nbio.structure.align.ce.CeParameters; -import org.biojava.nbio.structure.align.ce.CeParameters.ScoringStrategy; -import org.biojava.nbio.structure.align.ce.ConfigStrucAligParams; -import org.biojava.nbio.structure.align.gui.jmol.StructureAlignmentJmol; -import org.biojava.nbio.structure.align.model.AFPChain; -import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.align.webstart.WebStartMain; -import org.biojava.nbio.structure.io.PDBFileReader; -import org.biojava.nbio.structure.io.StructureIOFile; - -import javax.swing.*; -import javax.swing.event.ListSelectionEvent; -import javax.swing.event.ListSelectionListener; -import javax.swing.table.TableModel; -import javax.swing.table.TableRowSorter; -import java.awt.event.ActionEvent; -import java.awt.event.ActionListener; -import java.io.*; -import java.net.URL; -import java.util.ArrayList; -import java.util.List; - - -public class DBResultTable implements ActionListener{ - - public static final String[] ceColumnNames = {"name1","tname2","score","z-score" ,"rmsd","len1","len2","cov1","cov2","%ID","Description",""}; - public static final String[] fatColumnNames = {"name1","tname2","score","probability","rmsd","len1","len2","cov1","cov2","%ID","Description",""}; - - Object[][] data; - JTable table; - - String oldName1; - String oldName2; - - String algorithmName; - StructureAlignment algorithm; - - boolean isCE = true; - UserConfiguration config; - AtomCache cache ; - - String userPath ; - String userChain; - - - - public static void main(String[] args){ - - String file = "/tmp/results_4hhb.A.out"; - - DBResultTable table = new DBResultTable(); - UserConfiguration config = WebStartMain.getDefaultConfig(); - table.show(new File(file),config); - } - - public DBResultTable(){ - oldName1 = ""; - oldName2 = ""; - userPath = null; - userChain = null; - } - - public void show(BufferedReader in, UserConfiguration config) throws IOException{ - String str; - List tmpdat = new ArrayList(); - while ((str = in.readLine()) != null) { - if ( str.startsWith("#")) { - if ( str.startsWith("# algorithm:")) { - String[] spl = str.split(":"); - if ( spl.length == 2) { - algorithmName = spl[1]; - if (algorithmName.startsWith("jCE")) - isCE = true; - else - isCE = false; - } - initAlgorithm(algorithmName); - - } - - else if ( str.startsWith("#param:file1=")){ - String path = str.substring(13); - userPath = path.trim(); - } - - else if ( str.startsWith("#param:chain1=")){ - String chain = str.substring(14); - userChain = chain.trim(); - } - - else if ( str.startsWith("#param:scoring=")){ - try { - String[] spl = str.split("="); - ScoringStrategy scoreS; - try { - // try to convert from integer score - int stratNum = Integer.parseInt(spl[1]); - ScoringStrategy[] vals = ScoringStrategy.values(); - scoreS = vals[stratNum];//throws OutOfBounds if invalid; caught below - } catch(NumberFormatException e) { - scoreS = ScoringStrategy.valueOf(spl[1]); // - } - if (algorithm != null){ - // scoring is a parameter of CE... - ConfigStrucAligParams params = algorithm.getParameters(); - if ( params instanceof CeParameters){ - CeParameters ceParams = (CeParameters) params; - ceParams.setScoringStrategy(scoreS); - } - } - } catch (IndexOutOfBoundsException e){ - System.err.println("Unknown scoring strategy from line: " + str); - } catch (IllegalArgumentException e) { - System.err.println("Unknown scoring strategy from line: " + str); - } catch (Exception e) { - System.err.println("Unknown parameter can't read parameters from line: " + str); - e.printStackTrace(); - } - - } - continue; - } - String[] spl = str.split("\t"); - if ( spl.length != ceColumnNames.length -1) { - System.err.println("wrong table width! " + spl.length + " should be: " + (ceColumnNames.length -1 )); - System.err.println(str); - continue; - } - tmpdat.add(spl); - - } - in.close(); - - Object[][] d = new Object[tmpdat.size()][ceColumnNames.length + 1]; - - int i = -1; - for (String[] spl : tmpdat){ - - i++; - Object[] o = new Object[spl.length + 1]; - for ( int j=0; j< spl.length;j++){ - - if (( j >= 2 && j <= 4)|| (j==9)) { - o[j] = Double.parseDouble(spl[j]); - } else if ( j >4 && j< 10) { - - o[j] = Integer.parseInt(spl[j]); - } else { - o[j] = spl[j]; - } - } - - o[spl.length ] = "Align"; - - d[i] = o; - - } - data = d; - String[] columnNames = ceColumnNames; - if ( ! isCE) - columnNames = fatColumnNames; - table = new JTable(data, columnNames); - - TableRowSorter sorter = new MyTableRowSorter(table.getModel()); - table.setRowSorter(sorter); - //table.setAutoCreateRowSorter(true); - - JScrollPane scrollPane = new JScrollPane(table); - table.setFillsViewportHeight(true); - - // take care of selections: - table.setSelectionMode( ListSelectionModel.SINGLE_INTERVAL_SELECTION); - table.getSelectionModel().addListSelectionListener(new RowListener()); - - - JFrame f = new JFrame(); - f.getContentPane().add(scrollPane); - f.pack(); - f.setVisible(true); - - } - - public void show(File file, UserConfiguration config){ - this.config = config; - - cache = new AtomCache(config); - try { - BufferedReader in = new BufferedReader(new FileReader(file)); - show(in, config); - - } catch (IOException e) { - e.printStackTrace(); - } - - } - - public void show(URL url, UserConfiguration config){ - this.config = config; - - cache = new AtomCache(config); - try { - BufferedReader in = new BufferedReader(new InputStreamReader(url.openStream())); - show(in, config); - - } catch (IOException e) { - e.printStackTrace(); - } - - } - - - private void initAlgorithm(String algorithmName) { - try { - algorithm = StructureAlignmentFactory.getAlgorithm(algorithmName); - } catch (Exception e){ - e.printStackTrace(); - System.err.println("Can't guess algorithm from output. Using jCE as default..."); - try { - algorithm = StructureAlignmentFactory.getAlgorithm(CeMain.algorithmName); - } catch (Exception ex){ - ex.printStackTrace(); - return; - } - } - - } - - private void outputSelection() { - StringBuffer output = new StringBuffer(); - output.append(String.format("Lead: %d, %d. ", - table.getSelectionModel().getLeadSelectionIndex(), - table.getColumnModel().getSelectionModel(). - getLeadSelectionIndex())); - output.append("Rows:"); - for (int c : table.getSelectedRows()) { - output.append(String.format(" %d", c)); - } - - output.append(". Columns:"); - for (int c : table.getSelectedColumns()) { - output.append(String.format(" %d", c)); - } - - System.out.println(output.toString()); - } - - private class RowListener implements ListSelectionListener { - @Override - public void valueChanged(ListSelectionEvent event) { - if (event.getValueIsAdjusting()) { - return; - } - int row = table.getSelectionModel().getLeadSelectionIndex(); - String name1 = (String)table.getValueAt(row, 0); - String name2 = (String)table.getValueAt(row, 1); - - if ( name1.equals(oldName1) && oldName2.equals(name2)){ - return; - } - System.out.println("recreating alignment of: " + name1 + " " + name2 + " using " + algorithmName); - outputSelection(); - showAlignment(name1,name2); - oldName1 = name1; - oldName2 = name2; - - - } - } - - private void showAlignment( String name1, String name2){ - - - if ( algorithm == null) { - initAlgorithm(null); - } - - try { - Structure structure1 = null; - if ( name1.equals("CUSTOM")) { - // user uploaded a custom PDB file... - structure1 = loadCustomStructure(userPath,userChain); - } else { - structure1 = cache.getStructure(name1); - } - Structure structure2 = cache.getStructure(name2); - - Atom[] ca1; - Atom[] ca2; - - ca1 = StructureTools.getRepresentativeAtomArray(structure1); - ca2 = StructureTools.getRepresentativeAtomArray(structure2); - - AFPChain afpChain; - - afpChain = algorithm.align(ca1, ca2); - afpChain.setName1(name1); - afpChain.setName2(name2); - - - - StructureAlignmentJmol jmol = StructureAlignmentDisplay.display(afpChain,ca1,ca2); - - //String result = afpChain.toFatcat(ca1, ca2); - - //String rot = afpChain.toRotMat(); - - DisplayAFP.showAlignmentPanel(afpChain, ca1,ca2,jmol); - - - } catch (Exception e){ - e.printStackTrace(); - } - } - - private Structure loadCustomStructure(String userPath2, String userChain2) throws StructureException{ - StructureIOFile reader = new PDBFileReader(); - Structure s = null; - try { - s = reader.getStructure(userPath2); - } catch (IOException e){ - - //e.printStackTrace(); - throw new StructureException(e); - } - - - return StructureTools.getReducedStructure(s, userChain2); - } - - @Override - public void actionPerformed(ActionEvent e) { - - - - } - - -} diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/DBSearchGUI.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/DBSearchGUI.java deleted file mode 100644 index 885a544d28..0000000000 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/DBSearchGUI.java +++ /dev/null @@ -1,253 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Nov 3, 2009 - * Author: Andreas Prlic - * - */ - -package org.biojava.nbio.structure.align.gui; - - -import org.biojava.nbio.structure.align.StructureAlignment; -import org.biojava.nbio.structure.align.util.ResourceManager; -import org.biojava.nbio.structure.gui.util.PDBUploadPanel; -import org.biojava.nbio.structure.gui.util.ScopSelectPanel; - -import javax.swing.*; -import java.awt.event.ActionEvent; -import java.awt.event.ActionListener; -import java.io.File; - -public class DBSearchGUI extends JPanel { - - /** - * - */ - private static final long serialVersionUID = -5657960663049062301L; - - - StructureAlignment algorithm; - SelectPDBPanel tab1; - JTabbedPane tabPane; - - PDBUploadPanel tab2; - ScopSelectPanel tab3; - - JPanel listPane; - JButton abortB; - AlignmentCalcDB alicalc; - JProgressBar progress; - ProgressThreadDrawer drawer; - JTextField outFileLocation; - - Boolean useDomainSplit = true; - static final ResourceManager resourceManager = ResourceManager.getResourceManager("ce"); - - - public DBSearchGUI(){ - - - tab1 = new SelectPDBPanel(false); - - tab2 = new PDBUploadPanel(false); - tab3 = new ScopSelectPanel(false); - - tabPane = new JTabbedPane(); - tabPane.addTab("Select PDB ID", null, tab1,"Select PDB ID to align"); - - tabPane.addTab("Domains",null, tab3,"Domains"); - - tabPane.addTab("Custom files",null, tab2,"Align your own files."); - - listPane = createListPane(); - - // build up UO - - Box vBox = Box.createVerticalBox(); - - vBox.add(tabPane); - - vBox.add(listPane); - - //domainSelectPane = createDomainSelectPane(); - - //vBox.add(domainSelectPane); - - //vBox.setBorder(BorderFactory.createEmptyBorder(20, 20, 20, 20)); - vBox.add(Box.createGlue()); - - this.add(vBox); - - this.setVisible(true); - - } - - public boolean isDomainSplit(){ - return useDomainSplit; - } - - public JTabbedPane getTabPane() - { - return tabPane; - } - - public void setTabPane(JTabbedPane tabPane) - { - this.tabPane = tabPane; - } - - public ScopSelectPanel getScopSelectPanel(){ - return tab3; - } - - - public SelectPDBPanel getSelectPDBPanel(){ - return tab1; - } - public PDBUploadPanel getPDBUploadPanel(){ - return tab2; - } - public String getOutFileLocation(){ - return outFileLocation.getText(); - } - - - private JPanel createListPane() { - //JTabbedPane tabP = new JTabbedPane(); - - - JLabel lable = new JLabel("Select Output Directory"); - JPanel dir = new JPanel(); - - - outFileLocation = new JTextField(20); - JButton chB = new JButton("Select"); - - Box fileSelectBox = Box.createHorizontalBox(); - fileSelectBox.add(lable); - fileSelectBox.add(outFileLocation); - fileSelectBox.add(chB); - fileSelectBox.add(Box.createGlue()); - - - Box hBox = Box.createVerticalBox(); - hBox.add(fileSelectBox); - - Box panel =createDomainSelectPane(); - hBox.add(panel); - - dir.add(hBox); - - chB.addActionListener(new ActionListener() { - - @Override - public void actionPerformed(ActionEvent e) { - JFileChooser chooser = new JFileChooser(); - chooser.setMultiSelectionEnabled(false); - chooser.setDialogTitle("Select Output Directory"); - chooser.setFileSelectionMode(JFileChooser.DIRECTORIES_ONLY); - // - // disable the "All files" option. - // - chooser.setAcceptAllFileFilterUsed(false); - // - - - // In response to a button click: - int returnVal = chooser.showSaveDialog(null); - if ( returnVal == JFileChooser.APPROVE_OPTION) { - File file = chooser.getSelectedFile(); - outFileLocation.setText(file.getPath()); - outFileLocation.repaint(); - } - - } - }); - - //tabP.addTab("Select Output Directory", null, dir, - // "Configure the folder that will contain the results."); - - - return dir; - } - - - private Box createDomainSelectPane() { - - - - - useDomainSplit = true; - - String[] petStrings = { "Split proteins in Domains", "Use whole chains" }; - - //Create the combo box, select item at index 4. - //Indices start at 0, so 4 specifies the pig. - JComboBox domainList = new JComboBox(petStrings); - domainList.setSelectedIndex(0); - domainList.setToolTipText("Either align whole chains or SCOP domains and domains assigned with PDP, where no SCOP available."); - domainList.addActionListener(new ActionListener() { - - @Override - public void actionPerformed(ActionEvent arg0) { - JComboBox box = (JComboBox)arg0.getSource(); - int index = box.getSelectedIndex(); - if ( index == 0) - useDomainSplit = true; - else - useDomainSplit = false; - - } - }); - - JLabel label= new JLabel("Domains:"); - - Box domainBox = Box.createHorizontalBox(); - domainBox.add(label); - - domainBox.add(domainList); - domainBox.add(Box.createGlue()); - //Box hBox = Box.createHorizontalBox(); - - //hBox.add(Box.createGlue()); - - - - return domainBox; - } - - - - public void notifyCalcFinished(){ - if ( drawer != null) - drawer.interrupt(); - abortB.setEnabled(false); - progress.setIndeterminate(false); - - } - - - - public StructureAlignment getStructureAlignment() { - - return algorithm; - } -} - diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/MenuCreator.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/MenuCreator.java index 9484217af9..c5cac56b49 100644 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/MenuCreator.java +++ b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/MenuCreator.java @@ -113,10 +113,6 @@ public static JMenuBar initJmolMenu(JFrame frame, JMenuItem exportI = getExportPDBMenuItem(parent); file.add(exportI); } - //Open DBI - JMenuItem openDBI = getDBResultMenuItem(); - file.add(openDBI); - file.addSeparator(); //Print if ( parent != null){ JMenuItem print = getPrintMenuItem(); @@ -205,39 +201,6 @@ public static JMenuBar initJmolMenu(JFrame frame, return menu; } - - public static JMenuItem getDBResultMenuItem() { - - ImageIcon saveicon = createImageIcon("/icons/kpdf.png"); - JMenuItem saveI = null; - - if ( saveicon == null) - saveI = new JMenuItem(LOAD_DB_RESULTS); - else - saveI = new JMenuItem(LOAD_DB_RESULTS, saveicon); - - saveI.addActionListener(new ActionListener() { - - @Override - public void actionPerformed(ActionEvent e) { - final JFileChooser fc = new JFileChooser(); - - // In response to a button click: - int returnVal = fc.showOpenDialog(null); - if ( returnVal == JFileChooser.APPROVE_OPTION) { - File file = fc.getSelectedFile(); - - UserConfiguration config = WebStartMain.getWebStartConfig(); - DBResultTable table = new DBResultTable(); - table.show(file,config); - } - - } - } ); - - return saveI; - } - public static JMenuItem getShowPDBMenuItem() { ImageIcon loadI = createImageIcon("/icons/background.png"); JMenuItem openI = null; @@ -290,7 +253,7 @@ public static JMenuItem getLoadMenuItem() { * @param frame * @param actionListener * @param afpChain - * @param MultipleAlignment + * @param msa * @return a JMenuBar */ public static JMenuBar getAlignmentPanelMenu(JFrame frame, @@ -798,10 +761,6 @@ public static JMenuBar initAlignmentGUIMenu(JFrame frame) { JMenuItem openI = MenuCreator.getOpenPDBMenuItem(); file.add(openI); - JMenuItem dbI = MenuCreator.getDBResultMenuItem(); - file.add(dbI); - file.addSeparator(); - JMenuItem configI = MenuCreator.getConfigMenuItem(); file.add(configI); file.addSeparator(); diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartDBSearchResults.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartDBSearchResults.java deleted file mode 100644 index 2e62b6bdd3..0000000000 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartDBSearchResults.java +++ /dev/null @@ -1,64 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Sep 26, 2011 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.align.webstart; - -import org.biojava.nbio.structure.align.gui.DBResultTable; -import org.biojava.nbio.structure.align.util.UserConfiguration; - -import javax.swing.*; -import java.net.URL; - -public class WebStartDBSearchResults { - - public static void main(String[] argv){ - - if (argv.length == 0 ) { - - JOptionPane.showMessageDialog(null, - "Not enough arguments!"); - return; - - - } else if ( argv.length == 2){ - String path = argv[1]; - - DBResultTable table = new DBResultTable(); - UserConfiguration config = WebStartMain.getDefaultConfig(); - try { - URL u = new URL(path); - - //File f = new File(u.toURI()); - - table.show(u,config); - } catch (Exception e){ - JOptionPane.showMessageDialog(null, - e.getMessage()); - return; - } - } - - - } -} From a1b9be3573600bd6cc023fbb017f755b93dc541a Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Fri, 3 Jul 2020 15:21:58 -0700 Subject: [PATCH 181/821] Removing more db related code --- .../src/main/assembly/assembly.xml | 6 - .../src/main/assembly/startFarmJob.sh | 22 - .../gui/GUIAlignmentProgressListener.java | 162 ------ .../align/gui/GUIFarmJobRunnable.java | 86 ---- .../align/webstart/WebStartDBSearch.java | 124 ----- .../biojava/nbio/structure/align/FarmJob.java | 249 --------- .../align/MultiThreadedDBSearch.java | 473 ------------------ .../ce/AbstractUserArgumentProcessor.java | 119 ----- .../nbio/structure/align/ce/GuiWrapper.java | 36 +- 9 files changed, 2 insertions(+), 1275 deletions(-) delete mode 100755 biojava-protein-comparison-tool/src/main/assembly/startFarmJob.sh delete mode 100644 biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/GUIAlignmentProgressListener.java delete mode 100644 biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/GUIFarmJobRunnable.java delete mode 100644 biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartDBSearch.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/align/FarmJob.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/align/MultiThreadedDBSearch.java diff --git a/biojava-protein-comparison-tool/src/main/assembly/assembly.xml b/biojava-protein-comparison-tool/src/main/assembly/assembly.xml index 8ed510892f..1af2b92b9c 100644 --- a/biojava-protein-comparison-tool/src/main/assembly/assembly.xml +++ b/biojava-protein-comparison-tool/src/main/assembly/assembly.xml @@ -46,12 +46,6 @@ true 0755 - - src/main/assembly/startFarmJob.sh - / - true - 0755 - \ No newline at end of file diff --git a/biojava-protein-comparison-tool/src/main/assembly/startFarmJob.sh b/biojava-protein-comparison-tool/src/main/assembly/startFarmJob.sh deleted file mode 100755 index b324cc1701..0000000000 --- a/biojava-protein-comparison-tool/src/main/assembly/startFarmJob.sh +++ /dev/null @@ -1,22 +0,0 @@ -#!/bin/bash - -# example: -# startFarmJob.sh -pdbFilePath /Users/ap3/WORK/PDB -nrAlignments 10 - -# send the arguments to the java app -# allows to specify a different config file - -if [ -f $OSG_APP/engage/jdk1.6.0_16/bin/java ]; then - $OSG_APP/engage/jdk1.6.0_16/bin/java -Xmx1G -cp "$PWD/${project.build.finalName}.jar" org.biojava.nbio.structure.align.FarmJob "$@" -else - if [ -f /osg/osg-app/engage/jdk1.6.0_03/bin/java ]; then - /osg/osg-app/engage/jdk1.6.0_03/bin/java -Xmx1G -cp "$PWD/${project.build.finalName}.jar" org.biojava.nbio.structure.align.FarmJob "$@" - else - which java - java -version - java -Xmx1G -cp "$PWD/${project.build.finalName}.jar" org.biojava.nbio.structure.align.FarmJob "$@" - fi -fi - -exit $? - diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/GUIAlignmentProgressListener.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/GUIAlignmentProgressListener.java deleted file mode 100644 index 8bbf28aad2..0000000000 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/GUIAlignmentProgressListener.java +++ /dev/null @@ -1,162 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.align.gui; - -import org.biojava.nbio.structure.align.FarmJob; -import org.biojava.nbio.structure.align.events.AlignmentProgressListener; - -import javax.swing.*; -import java.awt.*; -import java.awt.event.ActionEvent; -import java.awt.event.ActionListener; - -/** a GUI that allows to watch progress as multiple alignments are being processed. - * - * @author Andreas Prlic - * - */ -public class GUIAlignmentProgressListener extends JPanel implements AlignmentProgressListener, ActionListener { - - - - - /** - * - */ - private static final long serialVersionUID = 1L; - - int alignmentsProcessed; - - JProgressBar progressBar; - private JTextArea taskOutput; - private JButton stopButton; - - FarmJob farmJob; - - public GUIAlignmentProgressListener(){ - - super(new BorderLayout()); - stopButton = new JButton("Stop"); - stopButton.setActionCommand("Stop"); - stopButton.addActionListener(this); - - progressBar = new JProgressBar(0, 100); - progressBar.setValue(0); - progressBar.setStringPainted(true); - - taskOutput = new JTextArea(5, 20); - taskOutput.setMargin(new Insets(5,5,5,5)); - taskOutput.setEditable(false); - - JPanel panel = new JPanel(); - panel.add(stopButton); - panel.add(progressBar); - - add(panel, BorderLayout.PAGE_START); - add(new JScrollPane(taskOutput), BorderLayout.CENTER); - setBorder(BorderFactory.createEmptyBorder(20, 20, 20, 20)); - - } - - - - public FarmJob getFarmJob() { - return farmJob; - } - - - - public void setFarmJob(FarmJob parent) { - this.farmJob = parent; - } - - - - /** - * Invoked when the user presses the stop button. - */ - @Override - public void actionPerformed(ActionEvent evt) { - - //System.out.println("stopping!"); - logStatus("terminating"); - logStatus(" Total alignments processed: " + alignmentsProcessed); - stopButton.setEnabled(false); - setCursor(Cursor.getPredefinedCursor(Cursor.WAIT_CURSOR)); - progressBar.setIndeterminate(true); - progressBar.setStringPainted(false); - System.out.println("terminating jobs"); - - farmJob.terminate(); - - setCursor(Cursor.getPredefinedCursor(Cursor.DEFAULT_CURSOR)); - progressBar.setIndeterminate(false); - - } - - - @Override - public void alignmentEnded() { - - alignmentsProcessed++; - - //System.out.println("aligned " + alignmentsProcessed ); - int v = progressBar.getValue(); - - progressBar.setValue(v+1); - progressBar.setString(String.valueOf(v)); - synchronized(this){notifyAll();} - - } - - @Override - public void alignmentStarted(String name1, String name2) { - logStatus("#" + progressBar.getValue() + " starting alignment of " + name1 + " " + name2); - } - - @Override - public void downloadingStructures(String name) { - logStatus("Downloading " + name ); - } - - @Override - public void logStatus(String message) { - taskOutput.append(message+"\n"); - } - - @Override - public void requestingAlignmentsFromServer(int nrAlignments) { - logStatus("Requesting " + nrAlignments + " alignments to be calculated"); - progressBar.setMaximum(nrAlignments); - progressBar.setValue(0); - synchronized(this){notifyAll();} - - } - - @Override - public void sentResultsToServer(int nrAlignments, String serverMessage) { - logStatus("sent alignment results back to server. Server responded: >"+serverMessage+"<"); - progressBar.setValue(0); - synchronized(this){notifyAll();} - } - - -} diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/GUIFarmJobRunnable.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/GUIFarmJobRunnable.java deleted file mode 100644 index 5a0006c29b..0000000000 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/GUIFarmJobRunnable.java +++ /dev/null @@ -1,86 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.align.gui; - -import org.biojava.nbio.structure.align.FarmJob; -import org.biojava.nbio.structure.align.client.FarmJobParameters; - -import javax.swing.*; -import java.awt.*; - -public class GUIFarmJobRunnable implements Runnable{ - FarmJobParameters params; - GUIAlignmentProgressListener progressListener ; - public GUIFarmJobRunnable(FarmJobParameters params){ - this.params = params; - - - } - - /** - * Create the GUI and show it. As with all GUI code, this must run - * on the event-dispatching thread. - */ - private static void createAndShowGUI(GUIAlignmentProgressListener progressListener) { - //Create and set up the window. - JFrame frame = new JFrame("Monitor alignment process"); - frame.setDefaultCloseOperation(JFrame.EXIT_ON_CLOSE); - - //Create and set up the content pane. - JComponent newContentPane = progressListener; - newContentPane.setOpaque(true); //content panes must be opaque - newContentPane.setSize(new Dimension(400,400)); - frame.setContentPane(newContentPane); - - //Display the window. - frame.pack(); - frame.setVisible(true); - } - - @Override - public void run() { - - progressListener = new GUIAlignmentProgressListener(); - progressListener.logStatus(params.toString()); - - //createAndShowGUI(progressListener); - - FarmJob job = new FarmJob(); - - progressListener.setFarmJob(job); - - job.addAlignmentProgressListener(progressListener); - job.setParams(params); - - Thread t = new Thread(job); - t.start(); - - - javax.swing.SwingUtilities.invokeLater(new Runnable() { - @Override - public void run() { - createAndShowGUI(progressListener); - } - }); - - } - -} diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartDBSearch.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartDBSearch.java deleted file mode 100644 index 05beef6b5d..0000000000 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartDBSearch.java +++ /dev/null @@ -1,124 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.align.webstart; - -import org.biojava.nbio.structure.align.FarmJob; -import org.biojava.nbio.structure.align.client.FarmJobParameters; -import org.biojava.nbio.structure.align.gui.GUIFarmJobRunnable; -import org.biojava.nbio.structure.align.util.CliTools; -import org.biojava.nbio.structure.align.util.ConfigurationException; - -import javax.swing.*; -import java.util.Arrays; -import java.util.List; - - - - -/** A Web Start wrapper for a FarmJobRunnable. - * - */ -public class WebStartDBSearch { - - private static final String[] mandParams = new String[] {"pdbFilePath"}; - - private static final List mandatoryArgs= Arrays.asList(mandParams); - - public WebStartDBSearch(){ - } - - - - public static void main(String[] argv) { - - FarmJob job = new FarmJob(); - - - if (argv.length == 0 ) { - job.printHelp(); - JOptionPane.showMessageDialog(null, - "Not enough arguments!"); - return; - - - } - - if ( argv.length == 1){ - if (argv[0].equalsIgnoreCase("-h") || argv[0].equalsIgnoreCase("-help")|| argv[0].equalsIgnoreCase("--help")){ - job.printHelp(); - JOptionPane.showMessageDialog(null, - "Help not supported..."); - return; - } - } - - FarmJobParameters params = new FarmJobParameters(); - - - for (int i = 0 ; i < argv.length; i++){ - String arg = argv[i]; - - String value = null; - if ( i < argv.length -1) - value = argv[i+1]; - - // if value starts with - then the arg does not have a value. - if (value != null && value.startsWith("-")) - value = null; - else - i++; - - - String[] tmp = {arg,value}; - - try { - - CliTools.configureBean(params, tmp); - - } catch (ConfigurationException e){ - - e.printStackTrace(); - - if ( mandatoryArgs.contains(arg) ) { - // there must not be a ConfigurationException with mandatory arguments. - JOptionPane.showMessageDialog(null, - e.getMessage()); - return; - - } else { - // but there can be with optional ... - } - } - } - - params.setRunBackground(true); - GUIFarmJobRunnable runnable = new GUIFarmJobRunnable(params); - - //javax.swing.SwingUtilities.invokeLater(runnable); - runnable.run(); - - - - - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/FarmJob.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/FarmJob.java deleted file mode 100644 index fa749f2127..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/FarmJob.java +++ /dev/null @@ -1,249 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.align; - -import org.biojava.nbio.structure.align.client.FarmJobParameters; -import org.biojava.nbio.structure.align.client.FarmJobRunnable; -import org.biojava.nbio.structure.align.events.AlignmentProgressListener; -import org.biojava.nbio.structure.align.util.CliTools; -import org.biojava.nbio.structure.align.util.ConfigurationException; -import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.scop.CachedRemoteScopInstallation; -import org.biojava.nbio.structure.scop.ScopDatabase; -import org.biojava.nbio.structure.scop.ScopFactory; -import org.biojava.nbio.core.util.InputStreamProvider; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.io.IOException; -import java.util.ArrayList; -import java.util.Arrays; -import java.util.List; - - -/** A job as it can be run on the farm. - * - * @author Andreas Prlic - * - * for arguments see the printHelp() method. - * - * - * - */ -public class FarmJob implements Runnable { - - private final static Logger logger = LoggerFactory.getLogger(FarmJob.class); - - private static final String[] mandParams = new String[] {"pdbFilePath"}; - - private static final List mandatoryArgs= Arrays.asList(mandParams); - - List progressListeners; - List jobs; - - FarmJobParameters params ; - - public FarmJob(){ - progressListeners = null; - - // send a flag to the PDb file loader to cache the gzip compressed files. - System.setProperty(InputStreamProvider.CACHE_PROPERTY, "true"); - - - } - - public FarmJobParameters getParams() { - return params; - } - - public void setParams(FarmJobParameters params) { - this.params = params; - } - - public void addAlignmentProgressListener(AlignmentProgressListener listener){ - if (progressListeners == null) - progressListeners = new ArrayList(); - - progressListeners.add(listener); - } - - public void clearListeners(){ - progressListeners.clear(); - progressListeners = null; - } - - public static void main(String[] argv){ - - FarmJob job = new FarmJob(); - - if (argv.length == 0 ) { - job.printHelp(); - return; - } - - if ( argv.length == 1){ - if (argv[0].equalsIgnoreCase("-h") || argv[0].equalsIgnoreCase("-help")|| argv[0].equalsIgnoreCase("--help")){ - job.printHelp(); - return; - } - } - - FarmJobParameters params = new FarmJobParameters(); - - for (int i = 0 ; i < argv.length; i++){ - String arg = argv[i]; - - String value = null; - if ( i < argv.length -1) - value = argv[i+1]; - - // if value starts with - then the arg does not have a value. - if (value != null && value.startsWith("-")) - value = null; - else - i++; - - - String[] tmp = {arg,value}; - - try { - - CliTools.configureBean(params, tmp); - - } catch (ConfigurationException e){ - - logger.error("Exception", e); - - if ( mandatoryArgs.contains(arg) ) { - // there must not be a ConfigurationException with mandatory arguments. - return; - } else { - // but there can be with optional ... - } - } - } - - - if (( params.getNrAlignments() == -1) && (params.getTime() == -1)){ - logger.error("Please provide either the -time or the -nrAlignments argument!"); - return; - } - - - logger.info("Using parameters: {}", params); - - job.setParams(params); - job.run(); - - } - - @Override - public void run(){ - - - // set the system wide PDB path - - String path = params.getPdbFilePath(); - System.setProperty(UserConfiguration.PDB_DIR,path); - - String cachePath = params.getCacheFilePath(); - if ( cachePath != null && ! cachePath.equals("")) - System.setProperty(UserConfiguration.PDB_CACHE_DIR,cachePath); - else { - // if not provided, we use pdbFilePath as the default CACHE path - System.setProperty(UserConfiguration.PDB_CACHE_DIR,path); - } - // declare SCOP to be locally cached, but fetching new stuff from remote - ScopDatabase scop = null; - try { - scop = new CachedRemoteScopInstallation(true); - } catch (IOException e) { - throw new RuntimeException("Could not load " + CachedRemoteScopInstallation.class.getName(), e); - } - ScopFactory.setScopDatabase(scop); - - String username = params.getUsername(); - jobs = new ArrayList(); - for ( int i = 0 ; i < params.getThreads();i++){ - logger.info("starting thread #{}", (i+1)); - FarmJobRunnable runner = new FarmJobRunnable(params); - params.setUsername(username+"_thread_" + (i+1)); - jobs.add(runner); - - if ( progressListeners != null) { - for (AlignmentProgressListener li : progressListeners){ - runner.addAlignmentProgressListener(li); - } - } - - - Thread t = new Thread(runner); - if ( ( (params.getThreads() > 1 ) && ( i < params.getThreads() - 1) )|| ( params.isRunBackground())) { - logger.info("starting thread #{} in background.", (i + 1)); - t.start(); - } else { - // single CPU jobs are run in the main thread and the last job is also run in the main thread - logger.info("starting thread #{} in main thread.", (i + 1)); - t.run(); - } - } - } - - public void terminate(){ - - logger.info("terminating jobs"); - - if ( jobs == null) - return; - - int js = jobs.size(); - logger.info("number of jobs: {}", js); - - - for (FarmJobRunnable runner : jobs){ - // runner.terminate() is already synchronized - runner.terminate(); - } - - clearListeners(); - } - - public void printHelp(){ - System.out.println("-------------------"); - System.out.println("FarmJob help:"); - System.out.println("-------------------"); - - System.out.println("FarmJob accepts the following parameters:"); - System.out.println(""); - System.out.println(" Mandatory:"); - System.out.println(" -pdbFilePath (mandatory) Path to the directory in your file system that contains the PDB files."); - - System.out.println(" provide either -time or -nrAlignments. If both are provided the job stops as soon as any of the criteria has been reached."); - System.out.println(" -time maximum number of time to run (in seconds). -1 means no time limit, but run -nrAlignment arguments. Default: " + FarmJobParameters.DEFAULT_JOB_TIME ); - System.out.println(" -nrAlignments number of alignments to calculate. Default: " + FarmJobParameters.DEFAULT_NR_ALIGNMENTS) ; - System.out.println(""); - System.out.println(" Optional: "); - System.out.println(" -threads number of parallel threads to calculate alignments. Should be nr. of available CPUs. Default: " + FarmJobParameters.DEFAULT_NR_THREADS); - System.out.println(" -server the location of the server URL to talk to. Default : " + FarmJobParameters.DEFAULT_SERVER_URL); - System.out.println(" -username a unique name that can be given to this client. Can be used to give credit for who is doing the calculations. Default: IP and a random id"); - System.out.println(" -stepSize the number of pairs to be requsted from server. Default: " + FarmJobParameters.DEFAULT_BATCH_SIZE); - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/MultiThreadedDBSearch.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/MultiThreadedDBSearch.java deleted file mode 100644 index 636c2ce7a3..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/MultiThreadedDBSearch.java +++ /dev/null @@ -1,473 +0,0 @@ -package org.biojava.nbio.structure.align; - -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Feb 11, 2013 - * Author: Andreas Prlic - * - */ - -import org.biojava.nbio.structure.Atom; -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureTools; -import org.biojava.nbio.structure.align.ce.*; -import org.biojava.nbio.structure.align.client.FarmJobParameters; -import org.biojava.nbio.structure.align.client.JFatCatClient; -import org.biojava.nbio.structure.align.client.PdbPair; -import org.biojava.nbio.structure.align.client.StructureName; -import org.biojava.nbio.structure.align.model.AFPChain; -import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.align.util.SynchronizedOutFile; -import org.biojava.nbio.structure.domain.DomainProvider; -import org.biojava.nbio.structure.domain.DomainProviderFactory; -import org.biojava.nbio.structure.domain.RemoteDomainProvider; -import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; -import org.biojava.nbio.structure.io.PDBFileReader; -import org.biojava.nbio.core.util.ConcurrencyTools; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.io.File; -import java.io.IOException; -import java.util.SortedSet; -import java.util.concurrent.ExecutorService; -import java.util.concurrent.ThreadPoolExecutor; -import java.util.concurrent.atomic.AtomicBoolean; - - -/** Performs a multi threaded database search for an input protein structure - * - * @author Andreas Prlic - * - */ - -public class MultiThreadedDBSearch { - - private final static Logger logger = LoggerFactory.getLogger(MultiThreadedDBSearch.class); - - AtomicBoolean interrupted ; - - StructureAlignment algorithm; - - String outFile; - - String name1; - - int nrCPUs; - - AtomCache cache; - File resultList; - SortedSet representatives; - - boolean domainSplit; - - Structure structure1; - - String customFile1; - String customChain1; - - public MultiThreadedDBSearch(String name, Structure structure, - String outFile, - StructureAlignment algorithm, - int nrCPUs, boolean domainSplit){ - - interrupted = new AtomicBoolean(false); - this.name1= name; - this.structure1 = structure; - this.outFile = outFile; - this.algorithm = algorithm; - this.nrCPUs = nrCPUs; - this.domainSplit = domainSplit; - cache = new AtomCache(); - - String serverLocation = FarmJobParameters.DEFAULT_SERVER_URL; - if ( representatives == null){ - SortedSet repre = JFatCatClient.getRepresentatives(serverLocation,40); - logger.info("got {} representatives for comparison", repre.size()); - representatives = repre; - } - } - - - public String getCustomFile1() { - return customFile1; - } - - - /** set the file path for a custom, user provided file, not a standard PDB file. - * - * @param customFile1 - */ - public void setCustomFile1(String customFile1) { - this.customFile1 = customFile1; - } - - - - public String getCustomChain1() { - return customChain1; - } - - /** sets a chain in a custom, user provided file - * - * @param customChain1 - */ - public void setCustomChain1(String customChain1) { - this.customChain1 = customChain1; - } - - - public AtomCache getAtomCache() { - return cache; - } - - public void setAtomCache(AtomCache cache) { - this.cache = cache; - } - - - - public StructureAlignment getAlgorithm() { - return algorithm; - } - - public void setAlgorithm(StructureAlignment algo) { - this.algorithm = algo; - } - - - public String getOutFile() { - return outFile; - } - - - public void setOutFile(String outFile) { - this.outFile = outFile; - } - - - public static String getLegend(String algorithmName){ - - if ( algorithmName.equalsIgnoreCase(CeMain.algorithmName) || - algorithmName.equalsIgnoreCase(CeSideChainMain.algorithmName) || - algorithmName.equalsIgnoreCase(CeCPMain.algorithmName)) { - return "# name1\tname2\tscore\tz-score\trmsd\tlen1\tlen2\tcov1\tcov2\t%ID\tDescription\t " ; - } - - // looks like a FATCAT alignment - - return "# name1\tname2\tscore\tprobability\trmsd\tlen1\tlen2\tcov1\tcov2\t%ID\tDescription\t " ; - - } - - - - public File getResultFile() { - return resultList; - } - - - public void setResultFile(File resultList) { - this.resultList = resultList; - } - - - public void run(){ - - File outFileF = null; - SynchronizedOutFile out ; - - try { - checkLocalFiles(); - - if ( interrupted.get()) - return; - - String header = "# algorithm:" + algorithm.getAlgorithmName(); - String legend = getLegend(algorithm.getAlgorithmName()); - - - - outFileF = new File(outFile); - if ( ! outFileF.isDirectory()){ - logger.error("{} is not a directory, can't create result files in there...", outFileF.getAbsolutePath()); - interrupt(); - cleanup(); - } - - if ( name1 == null) - name1 = "CUSTOM"; - - - resultList = new File(outFileF,"results_" + name1 + ".out"); - - logger.info("writing results to {}", resultList.getAbsolutePath()); - - - - out = new SynchronizedOutFile(resultList); - - out.write(header); - out.write(AFPChain.newline); - out.write(legend); - out.write(AFPChain.newline); - - if ( name1.equals("CUSTOM")) { - - String config1 = "#param:file1=" + customFile1; - out.write(config1); - out.write(AFPChain.newline); - - if ( customChain1 != null) { - String config2 = "#param:chain1=" + customChain1; - out.write(config2); - out.write(AFPChain.newline); - } - - } - - if ( algorithm.getAlgorithmName().startsWith("jCE")){ - ConfigStrucAligParams params = algorithm.getParameters(); - if ( params instanceof CeParameters){ - CeParameters ceParams = (CeParameters) params; - if ( ceParams.getScoringStrategy() != CeParameters.ScoringStrategy.DEFAULT_SCORING_STRATEGY) { - String scoring = "#param:scoring=" + ceParams.getScoringStrategy(); - out.write(scoring); - out.write(AFPChain.newline); - } - } - } - - out.flush(); - } catch (IOException e){ - logger.error("Error while loading representative structure {}", name1, e); - interrupt(); - cleanup(); - return; - } catch (StructureException e) { - logger.error("Error while loading representative structure {}", name1, e); - interrupt(); - cleanup(); - return; - } - - - int nrJobs = 0; - DomainProvider domainProvider; - try { - domainProvider = DomainProviderFactory.getDomainProvider(); - - ConcurrencyTools.setThreadPoolSize(nrCPUs); - - Atom[] ca1 = StructureTools.getRepresentativeAtomArray(structure1); - - for (String repre : representatives){ - - if( domainSplit ) { - SortedSet domainNames = domainProvider.getDomainNames(repre); - //logger.debug(repre +" got domains: " +domainNames); - if( domainNames == null || domainNames.size()==0){ - // no domains found, use whole chain. - submit(name1, repre, ca1, algorithm, outFileF, out, cache); - nrJobs++; - continue; - } - //logger.debug("got " + domainNames.size() + " for " + repre); - for( String domain : domainNames){ - submit(name1, domain, ca1, algorithm, outFileF, out, cache); - nrJobs++; - } - } else { - submit(name1, repre, ca1, algorithm, outFileF, out, cache); - nrJobs++; - } - - } - } catch(IOException e) { - logger.error("Error while fetching representative domains", e); - interrupt(); - cleanup(); - return; - } catch (StructureException e) { - logger.error("Error while fetching representative domains", e); - interrupt(); - cleanup(); - return; - } - - - ThreadPoolExecutor pool = ConcurrencyTools.getThreadPool(); - logger.info("{}", pool.getPoolSize()); - - long startTime = System.currentTimeMillis(); - - try { - while ( pool.getCompletedTaskCount() < nrJobs-1 ) { - //long now = System.currentTimeMillis(); - //logger.debug( pool.getCompletedTaskCount() + " " + (now-startTime)/1000 + " " + pool.getPoolSize() + " " + pool.getActiveCount() + " " + pool.getTaskCount() ); - // if ((now-startTime)/1000 > 60) { - // - // interrupt(); - // logger.debug("completed: " + pool.getCompletedTaskCount()); - // } - - if ( interrupted.get()) - break; - - Thread.sleep(2000); - - } - out.close(); - } - catch (Exception e){ - logger.error("Exception: ", e); - interrupt(); - cleanup(); - } - - if (domainProvider instanceof RemoteDomainProvider){ - RemoteDomainProvider remote = (RemoteDomainProvider) domainProvider; - remote.flushCache(); - } - long now = System.currentTimeMillis(); - logger.info("Calculation took : {} sec.", (now-startTime)/1000); - logger.info("{} {} {} {}", pool.getCompletedTaskCount(), pool.getPoolSize(), pool.getActiveCount(), pool.getTaskCount()); - } - - - - private void checkLocalFiles() throws IOException, StructureException { - - logger.info("Checking local PDB installation in directory: {}", cache.getPath()); - - File f = new File(cache.getPath()); - if ( ! f.isDirectory()) { - logger.error("The path {} should point to a directory!", f.getAbsolutePath()); - } - - if ( ! f.canWrite()) { - logger.error("You do not have permission to write to {}. There could be a problem if the PDB installation is not up-to-date with fetching missing PDB files.", f.getAbsolutePath()); - } - - DomainProvider domainProvider = DomainProviderFactory.getDomainProvider(); - - - - for (String repre : representatives){ - - if ( interrupted.get()) - return; - - if( domainSplit ) { - SortedSet domainNames = domainProvider.getDomainNames(repre); - //logger.debug(repre +" got domains: " +domainNames); - if( domainNames == null || domainNames.size()==0){ - // no domains found, use whole chain. - //submit(name1, repre, ca1, algorithm, outFileF, out, cache); - checkFile(repre); - continue; - } - //logger.debug("got " + domainNames.size() + " for " + repre); - for( String domain : domainNames){ - //submit(name1, domain, ca1, algorithm, outFileF, out, cache); - checkFile(domain); - } - } else { - //submit(name1, repre, ca1, algorithm, outFileF, out, cache); - checkFile(repre); - } - - } - - if ( domainProvider instanceof RemoteDomainProvider ) { - RemoteDomainProvider remoteP = (RemoteDomainProvider) domainProvider; - remoteP.flushCache(); - } - - logger.info("done checking local files..."); - - } - - - private void checkFile(String repre) throws IOException, StructureException { - - StructureName name = new StructureName(repre); - - PDBFileReader reader = new PDBFileReader(); - reader.setFetchBehavior(FetchBehavior.FETCH_REMEDIATED); - reader.setPath(cache.getPath()); - reader.setFileParsingParameters(cache.getFileParsingParams()); - reader.prefetchStructure(name.getPdbId()); - } - - - private void submit(String name12, String repre, Atom[] ca1, StructureAlignment algorithm , File outFileF , SynchronizedOutFile out , AtomCache cache ) { - CallableStructureAlignment ali = new CallableStructureAlignment(); - - PdbPair pair = new PdbPair(name1, repre); - try { - ali.setCa1(ca1); - } catch (Exception e){ - logger.error("Exception: ", e); - ConcurrencyTools.shutdown(); - return; - } - ali.setAlgorithmName(algorithm.getAlgorithmName()); - ali.setParameters(algorithm.getParameters()); - ali.setPair(pair); - ali.setOutFile(out); - ali.setOutputDir(outFileF); - ali.setCache(cache); - - ConcurrencyTools.submit(ali); - - } - - - /** stops what is currently happening and does not continue - * - * - */ - public void interrupt() { - interrupted.set(true); - ExecutorService pool = ConcurrencyTools.getThreadPool(); - pool.shutdownNow(); - try { - DomainProvider domainProvider = DomainProviderFactory.getDomainProvider(); - if (domainProvider instanceof RemoteDomainProvider){ - RemoteDomainProvider remote = (RemoteDomainProvider) domainProvider; - remote.flushCache(); - } - } catch (IOException e) { - // If errors occur, the cache should be empty anyways - } - - } - - public void cleanup() - { - - structure1 = null; - - - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java index e7e36cb128..a8fb5c899c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java @@ -29,7 +29,6 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureTools; -import org.biojava.nbio.structure.align.MultiThreadedDBSearch; import org.biojava.nbio.structure.align.StructureAlignment; import org.biojava.nbio.structure.align.model.AFPChain; import org.biojava.nbio.structure.align.util.*; @@ -175,20 +174,6 @@ public void process(String[] argv){ } } - if ( params.getShowDBresult() != null){ - // user wants to view DB search results: - - - System.err.println("showing DB results..."); - try { - GuiWrapper.showDBResults(params); - } catch (Exception e){ - System.err.println(e.getMessage()); - e.printStackTrace(); - } - - } - String pdb1 = params.getPdb1(); String file1 = params.getFile1(); @@ -199,15 +184,7 @@ public void process(String[] argv){ return; } - if ( params.getAlignPairs() != null){ - runDBSearch(); - return; - } - if ( params.getSearchFile() != null){ - runDBSearch(); - return; - } } catch (ConfigurationException e) { System.err.println(e.getLocalizedMessage()); System.exit(1); return; @@ -237,102 +214,6 @@ public static void printAboutMe() { } - - private void runDBSearch() throws ConfigurationException{ - - - String pdbFilePath = params.getPdbFilePath(); - - if ( pdbFilePath == null || pdbFilePath.equals("")){ - - UserConfiguration c = new UserConfiguration(); - pdbFilePath = c.getPdbFilePath(); - System.err.println("You did not specify the -pdbFilePath parameter. Defaulting to "+pdbFilePath+"."); - } - - String cacheFilePath = params.getCacheFilePath(); - - if ( cacheFilePath == null || cacheFilePath.equals("")){ - cacheFilePath = pdbFilePath; - - } - - - AtomCache cache = new AtomCache(pdbFilePath, pdbFilePath); - - String alignPairs = params.getAlignPairs(); - - String searchFile = params.getSearchFile(); - - if ( alignPairs == null || alignPairs.equals("")) { - if ( searchFile == null || searchFile.equals("")){ - throw new ConfigurationException("Please specify -alignPairs or -searchFile !"); - } - } - - String outputFile = params.getOutFile(); - - if ( outputFile == null || outputFile.equals("")){ - throw new ConfigurationException("Please specify the mandatory argument -outFile!"); - } - - System.out.println("running DB search with parameters: " + params); - - if ( alignPairs != null && ! alignPairs.equals("")) { - runAlignPairs(cache, alignPairs, outputFile); - } else { - // must be a searchFile request... - - int useNrCPUs = params.getNrCPU(); - - runDbSearch(cache,searchFile, outputFile, useNrCPUs, params); - } - } - - - /** Do a DB search with the input file against representative PDB domains - * - * @param cache - * @param searchFile - * @param outputFile - * @throws ConfigurationException - */ - private void runDbSearch(AtomCache cache, String searchFile, - String outputFile,int useNrCPUs, StartupParameters params) throws ConfigurationException { - - - System.out.println("will use " + useNrCPUs + " CPUs."); - - PDBFileReader reader = new PDBFileReader(); - Structure structure1 = null ; - try { - structure1 = reader.getStructure(searchFile); - } catch (IOException e) { - throw new ConfigurationException("could not parse as PDB file: " + searchFile); - } - - File searchF = new File(searchFile); - String name1 = "CUSTOM"; - - - - StructureAlignment algorithm = getAlgorithm(); - - MultiThreadedDBSearch dbSearch = new MultiThreadedDBSearch(name1, - structure1, - outputFile, - algorithm, - useNrCPUs, - params.isDomainSplit()); - - dbSearch.setCustomFile1(searchF.getAbsolutePath()); - - dbSearch.run(); - - - } - - private void runAlignPairs(AtomCache cache, String alignPairs, String outputFile) { try { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/GuiWrapper.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/GuiWrapper.java index 687d2e625f..df5736e7de 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/GuiWrapper.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/GuiWrapper.java @@ -24,16 +24,15 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.align.model.AFPChain; -import org.biojava.nbio.structure.align.util.UserConfiguration; import org.biojava.nbio.structure.jama.Matrix; import javax.swing.*; -import java.io.File; import java.lang.reflect.InvocationTargetException; import java.lang.reflect.Method; import java.util.List; -/** A class to wrap some of the strucutre.gui classes using Reflection +/** + * A class to wrap some of the strucutre.gui classes using Reflection * * @author Andreas Prlic * @@ -169,36 +168,5 @@ public static Atom[] getAtomArray(Atom[] ca, List hetatoms, List n } - /** - * @since 3.0.5 - */ - public static void showDBResults(StartupParameters params) { - //System.err.println("not implemented full yet"); - - // We want to do this, but because we don't know if structure-gui.jar is in the classpath we use reflection to hide the calls - - UserConfiguration config = UserConfiguration.fromStartupParams(params); - - String tableClass = "org.biojava.nbio.structure.align.gui.DBResultTable"; - - try { - Class c = Class.forName(tableClass); - Object table = c.newInstance(); - - Method show = c.getMethod("show", new Class[]{File.class, UserConfiguration.class }); - - show.invoke(table, new File(params.getShowDBresult()),config); - - } catch (Exception e){ - e.printStackTrace(); - - System.err.println("Probably structure-gui.jar is not in the classpath, can't show results..."); - } - - //DBResultTable table = new DBResultTable(); - - //table.show(new File(params.getShowDBresult()),config); - - } } From 2474aa93389f71cac5e25cbed6ddcd6261c66b55 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Fri, 3 Jul 2020 15:31:29 -0700 Subject: [PATCH 182/821] More removal of db code --- .../align/client/FarmJobParameters.java | 21 +- .../align/client/FarmJobRunnable.java | 635 ------------------ 2 files changed, 20 insertions(+), 636 deletions(-) delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobRunnable.java diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobParameters.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobParameters.java index 0415ce0439..def330b27d 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobParameters.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobParameters.java @@ -22,6 +22,10 @@ import org.biojava.nbio.structure.align.util.ResourceManager; +import java.net.InetAddress; +import java.net.UnknownHostException; +import java.util.UUID; + public class FarmJobParameters { @@ -65,13 +69,28 @@ public FarmJobParameters(){ stepSize = DEFAULT_BATCH_SIZE; - username = FarmJobRunnable.getRandomUsername(); + username = getRandomUsername(); if ( nrPairsProp != null){ stepSize = Integer.parseInt(nrPairsProp); } } + private static String getRandomUsername(){ + String name = ""; + try { + InetAddress i = InetAddress.getLocalHost(); + name += i.getHostAddress(); + name += "_"; + } catch (UnknownHostException e){ + throw new RuntimeException(e); + } + name += UUID.randomUUID(); + + return name; + + } + public String getPdbFilePath() { return pdbFilePath; } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobRunnable.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobRunnable.java deleted file mode 100644 index d592cc014d..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobRunnable.java +++ /dev/null @@ -1,635 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.align.client; - -import org.biojava.nbio.structure.Atom; -import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.align.StructureAlignment; -import org.biojava.nbio.structure.align.StructureAlignmentFactory; -import org.biojava.nbio.structure.align.ce.CeCPMain; -import org.biojava.nbio.structure.align.ce.CeMain; -import org.biojava.nbio.structure.align.events.AlignmentProgressListener; -import org.biojava.nbio.structure.align.fatcat.FatCatFlexible; -import org.biojava.nbio.structure.align.fatcat.FatCatRigid; -import org.biojava.nbio.structure.align.model.AFPChain; -import org.biojava.nbio.structure.align.util.AFPChainScorer; -import org.biojava.nbio.structure.align.util.AlignmentTools; -import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.align.util.ResourceManager; -import org.biojava.nbio.structure.align.xml.AFPChainXMLConverter; -import org.biojava.nbio.structure.align.xml.PdbPairsMessage; -import org.biojava.nbio.structure.domain.RemotePDPProvider; -import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; -import org.biojava.nbio.structure.scop.RemoteScopInstallation; -import org.biojava.nbio.structure.scop.ScopFactory; -import org.biojava.nbio.core.util.FlatFileCache; -import org.biojava.nbio.core.util.PrettyXMLWriter; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.io.IOException; -import java.io.PrintWriter; -import java.io.StringWriter; -import java.net.InetAddress; -import java.net.UnknownHostException; -import java.util.*; - - - - -/** Contains the single thread for a job that can run multiple alignments. - * - * @author Andreas Prlic - * - */ -public class FarmJobRunnable implements Runnable { - - private static final Logger logger = LoggerFactory.getLogger(FarmJobRunnable.class); - - - //private static final int DEFAULT_PAIR_FETCH_DELAY = 30000; - //private static final String CONNECTION_PAIR_DELAY = "connection.pair.delay"; - private static final String JFATCAT_NAME = "jfatcat.name"; - private static final String JFATCAT_VERSION = "jfatcat.version"; - - private static ResourceManager resourceManager = ResourceManager.getResourceManager("jfatcat"); - - - //private static DateFormat dateFormat = new SimpleDateFormat("MMMM dd, yyyy h:mm a",Locale.US); - - FarmJobParameters params; - - String prevName1; - Atom[] ca1 ; - - - long startTime; - long maxTime; - int maxNrAlignments; - int alignmentsCalculated; - - boolean waitForAlignments; - - private static final String randomUsername = getRandomUsername(); - - boolean terminated ; - - List progressListeners; - CountProgressListener counter ; - - String userName = null; - protected AtomCache cache; - - boolean verbose = false; // TODO dmyersturnbull: we should probably remove this in favor of SLF4J - String version = null; - - private static final String alignURL = "/align/"; - public FarmJobRunnable(FarmJobParameters params){ - terminated = false; - this.params = params; - verbose = false; - - // multiple farm jobs share the same SoftHashMap for caching coordinates - cache = new AtomCache( params.getPdbFilePath(), params.getCacheFilePath()); - - - if ( params.getServer()!= null && (!params.getServer().equals("") ) ) { - - RemotePDPProvider pdpprovider = new RemotePDPProvider(); - - String serverURL = params.getServer(); - if ( ! serverURL.endsWith("/")) - serverURL += "/"; - - if ( serverURL.endsWith(alignURL)) { - serverURL = serverURL.substring(0,serverURL.length()-alignURL.length()); - } - - pdpprovider.setServer(serverURL+"/domains/"); - - cache.setPdpprovider(pdpprovider); - - RemoteScopInstallation scop = new RemoteScopInstallation(); - - scop.setServer(serverURL+"/domains/"); - ScopFactory.setScopDatabase(scop); - - } - - cache.setFetchBehavior(FetchBehavior.FETCH_FILES); - - maxNrAlignments = params.getNrAlignments(); - progressListeners = null; - if (params.getUsername() == null) { - userName = randomUsername; - } else { - userName = params.getUsername(); - } - counter = new CountProgressListener(); - addAlignmentProgressListener(counter); - waitForAlignments = true; - - if ( params.isVerbose()){ - verbose = true; - } - } - - public void addAlignmentProgressListener(AlignmentProgressListener listener){ - - if (progressListeners == null) - progressListeners = new ArrayList(); - - progressListeners.add(listener); - } - - public void clearListeners(){ - if ( progressListeners == null) - return; - progressListeners.clear(); - progressListeners = null; - } - - protected static String getRandomUsername(){ - String name = ""; - try { - InetAddress i = InetAddress.getLocalHost(); - name += i.getHostAddress(); - name += "_"; - } catch (UnknownHostException e){ - throw new RuntimeException(e); - } - name += UUID.randomUUID(); - - return name; - - } - - @Override - public void run() { - - // Retrieve resource - String appVersion = resourceManager.getString(JFATCAT_VERSION); - String appName = resourceManager.getString(JFATCAT_NAME); - logger.info("{} version: {}", appName, appVersion); - - - startTime = System.currentTimeMillis(); - // -t ime is in seconds. - long maxSec = params.getTime(); - - if ( maxSec < 5 ) - maxTime = Long.MAX_VALUE; - else - maxTime = startTime + params.getTime() * 1000; - - terminated = false; - - alignmentsCalculated = 0; - - maxNrAlignments = params.getNrAlignments(); - - if ( maxNrAlignments < 0 ){ - maxNrAlignments = Integer.MAX_VALUE; - } - - logger.info("running job for max {} alignments", maxNrAlignments); - - - while (! terminated){ - - // talk to server - // get list of alignments to run - // if maxNrAlignments > 100 we split up the calculations in chunks of 100. - // otherwise we request all of them at once. - // we request - PdbPairsMessage msg = getAlignmentPairsFromServer(); - if ( msg == null) { - logger.error("Got null instead of alignment pairs from server."); - randomSleep(); - continue; - } - SortedSet alignmentPairs = msg.getPairs(); - logger.debug("{}: Server responded with {} pairs.", userName, alignmentPairs.size()); - List results = new ArrayList(); - - String algorithmName = msg.getMethod(); - if ( version == null) { - setVersion(algorithmName); - - } - for(PdbPair pair : alignmentPairs){ - - if ( terminated) - break; - - long now = System.currentTimeMillis(); - if ( now >= maxTime) { - terminated = true; - break; - } - - if ( alignmentsCalculated >= maxNrAlignments) { - terminated = true; - break; - } - - - String name1 = pair.getName1(); - String name2 = pair.getName2(); - - if ( progressListeners != null) - notifyStartAlignment(name1,name2); - - - try { - String resultXML = alignPair(name1, name2,algorithmName); - - if ( progressListeners != null) - notifyEndAlignment(); - - results.add(resultXML); - - } catch (Exception e){ - logger.error("Problem aligning {} with {}", name1, name2, e); - - StringWriter sw = new StringWriter(); - - PrettyXMLWriter xml = new PrettyXMLWriter(new PrintWriter(sw)); - try { - xml.openTag("AFPChain"); - - xml.attribute("name1", name1); - xml.attribute("name2", name2); - xml.attribute("error", e.getMessage()); - xml.closeTag("AFPChain"); - } catch(IOException ex){ - logger.error("Error occured converting alignment for {} and {} to XML", name1, name2, ex); - } - - if ( progressListeners != null) - notifyEndAlignment(); - - results.add(sw.toString()); - - - } - - alignmentsCalculated++; - - } - - // send results back to server - sendResultsToServer(results); - - long end = System.currentTimeMillis(); - if ( end >= maxTime) { - logger.info("OK end of job: reached maxTime {}", maxTime); - terminated = true; - - } - - if ( alignmentsCalculated >= maxNrAlignments) { - logger.info("OK end of job: reached maxNrAlignments", maxNrAlignments); - terminated = true; - - } - - long tdiff = (end - startTime); - if ( tdiff != 0) { - - logger.info(userName + String.format(": job has run for : %.2f", (tdiff) / 1000.0 / 60) + " min."); - logger.info("{}: total nr of alignments calculated: {}", userName, alignmentsCalculated); - if ( alignmentsCalculated > 0) - logger.info(userName + String.format(": average time / alignment: %.2f", (tdiff / alignmentsCalculated / 1000.0)) + " sec."); - } - } - - logger.info(userName + ": jFATCAT job result: " + counter); - - // clean up in the end... - clearListeners(); - - cache.notifyShutdown(); - - } - - - private void setVersion(String algorithmName) { - StructureAlignment algorithm; - try { - algorithm = StructureAlignmentFactory.getAlgorithm(algorithmName); - version = algorithm.getVersion(); - } catch (StructureException e) { - throw new RuntimeException("Couldn't set version for algorithm \"" + algorithmName + "\"", e); -// version = resourceManager.getString(JFATCAT_VERSION); // dmyersturnbull: was this - } - - - } - - private void notifyStartAlignment(String name1, String name2) { - if ( progressListeners != null){ - for (AlignmentProgressListener li : progressListeners){ - li.alignmentStarted(name1, name2); - } - } - } - - private void notifyEndAlignment(){ - if ( progressListeners != null){ - for (AlignmentProgressListener li : progressListeners){ - li.alignmentEnded(); - - } - } - } - - private void notifyRequestingAlignments(int nrAlignments){ - if ( progressListeners != null){ - for (AlignmentProgressListener li : progressListeners){ - li.requestingAlignmentsFromServer(nrAlignments); - - } - } - } - - private void notifySubmittingAlignments(int nrAlignments, String message){ - if ( progressListeners != null){ - for (AlignmentProgressListener li : progressListeners){ - li.sentResultsToServer(nrAlignments,message); - - } - } - } - - - public String alignPair(String name1, String name2) - throws StructureException, IOException { - return alignPair(name1, name2, FatCatRigid.algorithmName); - } - - public String alignPair(String name1, String name2, String algorithmName) - throws StructureException, IOException { - - // make sure each thread has an independent instance of the algorithm object ... - - StructureAlignment algorithm = getAlgorithm(algorithmName); - - // we are running with default parameters - - if ( verbose ) { - logger.debug("aligning {} against {}", name1, name2); - } - - long startTime = System.currentTimeMillis(); - - if ( prevName1 == null) - initMaster(name1); - - if ( ! prevName1.equals(name1) ) { - // we need to reload the master - initMaster(name1); - } - - // get a copy of the atoms, but clone them, since they will be rotated... - Atom[] ca2 = cache.getAtoms(name2); - - AFPChain afpChain = algorithm.align(ca1, ca2); - - afpChain.setName1(name1); - afpChain.setName2(name2); - - try { - // add tmScore - double tmScore = AFPChainScorer.getTMScore(afpChain, ca1, ca2); - afpChain.setTMScore(tmScore); - } catch (RuntimeException e){ - logger.error("ca1 size: {} ca2 length: {} {} {}", ca1.length, ca2.length, afpChain.getName1(), afpChain.getName2(), e); - - } - long endTime = System.currentTimeMillis(); - - long calcTime = (endTime-startTime); - if ( verbose ){ - boolean isCP = !AlignmentTools.isSequentialAlignment(afpChain, false); - String msg = "finished alignment: " + name1 + " vs. " + name2 + " in " + (calcTime) / 1000.0 + " sec."; - msg += " algo: " + algorithmName + " v:" + version + " " + afpChain; - - if ( isCP ) msg += "HAS A CIRCULAR PERMUTATION!!!"; - logger.debug(msg); - } - if (verbose){ - printMemory(); - } - afpChain.setCalculationTime(calcTime); - - return AFPChainXMLConverter.toXML(afpChain, ca1, ca2); - } - - - - - private void printMemory() { - int size = 1048576; - long heapSize = Runtime.getRuntime().totalMemory() / size; - - // Get maximum size of heap in bytes. The heap cannot grow beyond this size. - // Any attempt will result in an OutOfMemoryException. - long heapMaxSize = Runtime.getRuntime().maxMemory() / size; - - // Get amount of free memory within the heap in bytes. This size will increase - // after garbage collection and decrease as new objects are created. - long heapFreeSize = Runtime.getRuntime().freeMemory() / size; - StringBuilder msg = new StringBuilder(); - msg.append(" total: ").append(heapSize).append(" M"); - msg.append(" max: "). append(heapMaxSize).append(" M"); - msg.append(" free: ").append(heapFreeSize).append(" M"); - - logger.debug(msg.toString()); - - } - - private StructureAlignment getAlgorithm(String algorithmName) throws StructureException { - - - StructureAlignment algorithm = null; - - if ( algorithmName == null){ - - algorithm = new FatCatRigid(); - - } else if ( algorithmName.equalsIgnoreCase(FatCatRigid.algorithmName)){ - - algorithm = new FatCatRigid(); - - } else if ( algorithmName.equalsIgnoreCase(CeMain.algorithmName)){ - - algorithm = new CeMain(); - - } else if ( algorithmName.equalsIgnoreCase(CeCPMain.algorithmName)){ - - algorithm = new CeCPMain(); - - } else if ( algorithmName.equalsIgnoreCase(FatCatFlexible.algorithmName)){ - - algorithm = new FatCatFlexible(); - - } else { - - algorithm = StructureAlignmentFactory.getAlgorithm(algorithmName); - - } - - if ( algorithm == null) { - - algorithm = new FatCatRigid(); - - } - - - return algorithm; - } - - private void initMaster(String name1) throws IOException, StructureException{ - - ca1 = cache.getAtoms(name1); - - prevName1 = name1; - - } - - - /** talk to centralized server and fetch all alignments to run. - * - * @return a list of pairs to align. - */ - protected PdbPairsMessage getAlignmentPairsFromServer() { - - - String url = params.getServer(); - - int nrPairs = params.getStepSize(); - - if ( maxNrAlignments < nrPairs ) - nrPairs = maxNrAlignments; - - SortedSet allPairs = new TreeSet(); - - PdbPairsMessage msg = null; - - - try { - - if ( progressListeners != null) - notifyRequestingAlignments(nrPairs); - - - - if ( ! waitForAlignments) { - msg = JFatCatClient.getPdbPairs(url, nrPairs, userName); - allPairs = msg.getPairs(); - - } else { - - while (allPairs.isEmpty()) { - msg = JFatCatClient.getPdbPairs(url, nrPairs, userName); - allPairs = msg.getPairs(); - - if (allPairs.isEmpty()) { - randomSleep(); - } - } - } - } catch ( JobKillException k ){ - - logger.debug("Terminating job", k); - terminate(); - - } catch (Exception e) { - logger.error("Error while requesting alignment pairs", e); - // an error has occured sleep 30 sec. - - randomSleep(); - - - } - - return msg; - } - - private void randomSleep() { - try { - - int delay = JFatCatClient.getRandomSleepTime(); - logger.debug("sleeping {} sec.", delay/1000); - Thread.sleep(delay); - } catch (InterruptedException ex){ - logger.trace("InterruptedException occurred while sleeping", ex); - } - - } - - protected void sendResultsToServer(List results) { - - String serverLocation = params.getServer(); - - if ( results.size() < 1) - return; - - String fullXml = ""; - - for (String xml: results){ - fullXml +=xml; - } - fullXml += ""; - String msg = ""; - try { - msg = JFatCatClient.sendMultiAFPChainToServer(serverLocation,fullXml, userName, version ); - } catch (JobKillException e){ - logger.info("{} Got Job Kill message from server, terminating...", userName, e); - terminate(); - } - - if ( progressListeners != null) - notifySubmittingAlignments(results.size(), msg); - logger.info("{}: Sent {} results to server. job status: {}", userName, results.size(), counter); - logger.info("{}: fileCache size: {}", userName, FlatFileCache.size()); - } - - - /** Send signal to terminate calculations - * - */ - public synchronized void terminate(){ - terminated = true; - } - - public boolean isWaitForAlignments() { - return waitForAlignments; - } - - public void setWaitForAlignments(boolean waitForAlignments) { - this.waitForAlignments = waitForAlignments; - } - - - -} From 31d29b5f42b275e72ab50843bb3cb70c7936c55d Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Fri, 3 Jul 2020 19:05:55 -0700 Subject: [PATCH 183/821] Some more removals --- .../align/webstart/WebStartMain.java | 11 +- .../align/client/CountProgressListener.java | 83 ------- .../align/client/FarmJobParameters.java | 209 ------------------ .../nbio/structure/align/client/PdbPair.java | 9 +- .../structure/align/client/StructureName.java | 2 +- .../structure/align/util/ResourceManager.java | 4 +- 6 files changed, 18 insertions(+), 300 deletions(-) delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/CountProgressListener.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobParameters.java diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartMain.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartMain.java index 27c0ceb322..a41dff849b 100644 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartMain.java +++ b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartMain.java @@ -25,7 +25,6 @@ import org.biojava.nbio.structure.align.StructureAlignmentFactory; import org.biojava.nbio.structure.align.ce.CeCPMain; import org.biojava.nbio.structure.align.ce.CeMain; -import org.biojava.nbio.structure.align.client.FarmJobParameters; import org.biojava.nbio.structure.align.client.JFatCatClient; import org.biojava.nbio.structure.align.client.PdbPair; import org.biojava.nbio.structure.align.fatcat.FatCatFlexible; @@ -38,6 +37,7 @@ import org.biojava.nbio.structure.align.model.AFPChain; import org.biojava.nbio.structure.align.seq.SmithWaterman3Daligner; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.align.util.ResourceManager; import org.biojava.nbio.structure.align.util.UserConfiguration; import javax.swing.*; @@ -47,6 +47,13 @@ public class WebStartMain { + private static final ResourceManager resourceManager; + private static final String DEFAULT_SERVER_URL; + static { + resourceManager = ResourceManager.getResourceManager("jfatcat"); + DEFAULT_SERVER_URL = resourceManager.getString("server.url"); + } + static UserConfiguration userConfig; /** @@ -113,7 +120,7 @@ public void run() { return; } - String serverLocation = FarmJobParameters.DEFAULT_SERVER_URL; + String serverLocation = DEFAULT_SERVER_URL; if ( args.length > 3 ) { // we have 4 arguments. diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/CountProgressListener.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/CountProgressListener.java deleted file mode 100644 index 0490594964..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/CountProgressListener.java +++ /dev/null @@ -1,83 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Sep 15, 2009 - * Author: Andreas Prlic - * - */ - -package org.biojava.nbio.structure.align.client; - -import org.biojava.nbio.structure.align.events.AlignmentProgressListener; - -public class CountProgressListener implements AlignmentProgressListener { - - int nrCalculated ; - int nrSubmitted; - - public CountProgressListener(){ - nrCalculated = 0; - nrSubmitted = 0; - } - - @Override - public void alignmentEnded() { - nrCalculated++; - - } - - @Override - public void alignmentStarted(String name1, String name2) { - // TODO Auto-generated method stub - - } - - @Override - public void downloadingStructures(String name) { - // TODO Auto-generated method stub - - } - - @Override - public void logStatus(String message) { - // TODO Auto-generated method stub - - } - - @Override - public void requestingAlignmentsFromServer(int nrAlignments) { - // TODO Auto-generated method stub - - } - - @Override - public void sentResultsToServer(int nrAlignments, String serverMessage) { - nrSubmitted+=nrAlignments; - } - - - @Override - public String toString() { - return "[nrCalculated=" + nrCalculated - + ", nrSubmitted=" + nrSubmitted + "]"; - } - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobParameters.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobParameters.java deleted file mode 100644 index def330b27d..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/FarmJobParameters.java +++ /dev/null @@ -1,209 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.align.client; - -import org.biojava.nbio.structure.align.util.ResourceManager; - -import java.net.InetAddress; -import java.net.UnknownHostException; -import java.util.UUID; - -public class FarmJobParameters { - - - public static final int DEFAULT_JOB_TIME = -1; - public static final int DEFAULT_NR_ALIGNMENTS = -1; - public static final int DEFAULT_NR_THREADS = 1; - public static final String DEFAULT_SERVER_URL; - private static ResourceManager resourceManager; - static { - resourceManager = ResourceManager.getResourceManager("jfatcat"); - DEFAULT_SERVER_URL = resourceManager.getString("server.url"); - } - public static final String DEFAULT_PDB_PATH = "/tmp/"; - public static final int DEFAULT_BATCH_SIZE = 100; - - private static final String DEFAULT_BATCH_SIZE_PROP = "request.pair.size"; - - int nrAlignments; - int time; - int threads; - String server; - String pdbFilePath; - String username; - boolean runBackground; - boolean verbose; - boolean updateRemediatedFiles; - int stepSize; - String cacheFilePath; - - - public FarmJobParameters(){ - nrAlignments = DEFAULT_NR_ALIGNMENTS; - time = DEFAULT_JOB_TIME; - threads = DEFAULT_NR_THREADS; - server = DEFAULT_SERVER_URL; - pdbFilePath = DEFAULT_PDB_PATH; - runBackground = false; - cacheFilePath = DEFAULT_PDB_PATH; - updateRemediatedFiles = false; - String nrPairsProp = resourceManager.getString(DEFAULT_BATCH_SIZE_PROP); - - stepSize = DEFAULT_BATCH_SIZE; - - username = getRandomUsername(); - if ( nrPairsProp != null){ - stepSize = Integer.parseInt(nrPairsProp); - } - - } - - private static String getRandomUsername(){ - String name = ""; - try { - InetAddress i = InetAddress.getLocalHost(); - name += i.getHostAddress(); - name += "_"; - } catch (UnknownHostException e){ - throw new RuntimeException(e); - } - name += UUID.randomUUID(); - - return name; - - } - - public String getPdbFilePath() { - return pdbFilePath; - } - - public void setPdbFilePath(String pdbFilePath) { - this.pdbFilePath = pdbFilePath; - } - public String getCacheFilePath() { - return cacheFilePath; - } - - public void setCacheFilePath(String cacheFilePath) { - this.cacheFilePath = cacheFilePath; - } - - public int getNrAlignments() { - return nrAlignments; - } - - - public void setNrAlignments(int nrAlignments) { - this.nrAlignments = nrAlignments; - } - - - public int getTime() { - return time; - } - - public void setTime(int time) { - this.time = time; - } - - public int getThreads() { - return threads; - } - - public void setThreads(int threads) { - this.threads = threads; - } - - public String getServer() { - return server; - } - - public void setServer(String server) { - this.server = server; - } - - public String getUsername() { - return username; - } - public void setUsername(String username) { - this.username = username; - } - - /** Flag if a job that only runs one parallell job should be run in its own thread or in the main thread. - * For User interface related apps should be set to true. Default: false; - * @return flag - */ - public boolean isRunBackground() { - return runBackground; - } - public void setRunBackground(boolean runBackground) { - this.runBackground = runBackground; - } - - - /** how many pairs should be requested for alignment from server? - * - * @return stepsize - */ - public int getStepSize() { - return stepSize; - } - - public void setStepSize(int stepSize) { - this.stepSize = stepSize; - } - - - /** Flag if the job should be run in verbose mode. Default: false - * - * @return flag if the job should be run in verbose mode - */ - public boolean isVerbose() { - return verbose; - } - - public void setVerbose(boolean verbose) { - this.verbose = verbose; - } - - public boolean isUpdateRemediatedFiles() { - return updateRemediatedFiles; - } - - public void setUpdateRemediatedFiles(boolean updateRemediatedFiles) { - this.updateRemediatedFiles = updateRemediatedFiles; - } - - @Override - public String toString() { - return "FarmJobParameters [nrAlignments=" + nrAlignments + ", time=" - + time + ", threads=" + threads + ", server=" + server - + ", pdbFilePath=" + pdbFilePath - + ", username=" + username + ", runBackground=" - + runBackground + ", verbose=" + verbose - + ", updateRemediatedFiles=" + updateRemediatedFiles - + ", stepSize=" + stepSize + ", cacheFilePath=" + cacheFilePath - + "]"; - } - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/PdbPair.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/PdbPair.java index 29e7ab9e36..a752a2c51d 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/PdbPair.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/PdbPair.java @@ -22,7 +22,8 @@ import org.biojava.nbio.structure.StructureException; -/** A pair for structure alignment +/** + * A pair for structure alignment * * @author Andreas Prlic * @@ -31,11 +32,13 @@ */ public class PdbPair implements Comparable { - StructureName name1; - StructureName name2; + private StructureName name1; + private StructureName name2; + public PdbPair(String name1, String name2) { this(new StructureName(name1),new StructureName(name2)); } + public PdbPair(StructureName name1, StructureName name2) { super(); this.name1 = name1; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java index 4c682e624f..c81513edde 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java @@ -67,7 +67,7 @@ * information may be loaded from one of the factory classes: * {@link CathFactory},{@link ScopFactory}, etc. * - * @see #getName the name. e.g. 4hhb, 4hhb.A, d4hhba_, PDP:4HHBAa etc. + * @see #getIdentifier() the name. e.g. 4hhb, 4hhb.A, d4hhba_, PDP:4HHBAa etc. */ public class StructureName implements Comparable, Serializable, StructureIdentifier { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/ResourceManager.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/ResourceManager.java index c61478b1a1..9463f81483 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/ResourceManager.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/ResourceManager.java @@ -27,14 +27,14 @@ -/** A class that manages the Strings that are defined in the spice.properties file. +/** + * A class that manages the Strings that are defined in the spice.properties file. * This will be usefull for internationalisation. * * TODO: provide .properties files for other locales. * e.g. jfatcat_de_DE.properties, etc. * * @author Andreas Prlic - * @since 1:43:04 PM * @version %I% %G% */ public class ResourceManager { From 87a59b0f99d70e3f1d7e7a38933b74d5162574e5 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Fri, 3 Jul 2020 19:12:32 -0700 Subject: [PATCH 184/821] Removing jfatcatclient from WebStartMain --- .../align/webstart/WebStartMain.java | 39 ++----------------- .../structure/align/client/JFatCatClient.java | 5 ++- 2 files changed, 7 insertions(+), 37 deletions(-) diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartMain.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartMain.java index a41dff849b..e589f56140 100644 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartMain.java +++ b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/webstart/WebStartMain.java @@ -25,7 +25,6 @@ import org.biojava.nbio.structure.align.StructureAlignmentFactory; import org.biojava.nbio.structure.align.ce.CeCPMain; import org.biojava.nbio.structure.align.ce.CeMain; -import org.biojava.nbio.structure.align.client.JFatCatClient; import org.biojava.nbio.structure.align.client.PdbPair; import org.biojava.nbio.structure.align.fatcat.FatCatFlexible; import org.biojava.nbio.structure.align.fatcat.FatCatRigid; @@ -37,7 +36,6 @@ import org.biojava.nbio.structure.align.model.AFPChain; import org.biojava.nbio.structure.align.seq.SmithWaterman3Daligner; import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.align.util.ResourceManager; import org.biojava.nbio.structure.align.util.UserConfiguration; import javax.swing.*; @@ -47,14 +45,7 @@ public class WebStartMain { - private static final ResourceManager resourceManager; - private static final String DEFAULT_SERVER_URL; - static { - resourceManager = ResourceManager.getResourceManager("jfatcat"); - DEFAULT_SERVER_URL = resourceManager.getString("server.url"); - } - - static UserConfiguration userConfig; + private static UserConfiguration userConfig; /** * If no arguments, shows AlignmentGui for pairwise alignments. @@ -120,14 +111,6 @@ public void run() { return; } - String serverLocation = DEFAULT_SERVER_URL; - - if ( args.length > 3 ) { - // we have 4 arguments. - // in this case the 4th has to be the server URL - serverLocation = args[3]; - } - try { String name1 = args[1]; @@ -175,7 +158,7 @@ else if ( arg0.equalsIgnoreCase("fatcat_flexible")) else algorithm = new SmithWaterman3Daligner(); - showStructureAlignment(serverLocation,algorithm ,ca1,ca2,pair.getName1(),pair.getName2()); + showStructureAlignment(algorithm ,ca1,ca2,pair.getName1(),pair.getName2()); } catch (Exception e){ e.printStackTrace(); @@ -304,36 +287,22 @@ public static UserConfiguration requestUserConfig(){ - private static void showStructureAlignment(String serverLocation, StructureAlignment algorithm, Atom[] ca1, Atom[] ca2, String name1, String name2) throws StructureException{ + private static void showStructureAlignment(StructureAlignment algorithm, Atom[] ca1, Atom[] ca2, String name1, String name2) throws StructureException{ JFrame tmpFrame = new JFrame(); tmpFrame.setDefaultCloseOperation(JFrame.EXIT_ON_CLOSE); String title = "Calculating " + algorithm.getAlgorithmName() + " V." + algorithm.getVersion()+" alignment... "; - showProgressBar(tmpFrame,title, "Calculating the structure alignment."); - //do the actual alignment - AFPChain afpChain = null; - - try { - // using 10 sec as timeout on server now, since we expect the server to be able to complete the calculation within that time... - afpChain = JFatCatClient.getAFPChainFromServer(serverLocation,algorithm.getAlgorithmName(), name1, name2, ca1, ca2, 10000); - } catch (Exception e){ - e.printStackTrace(); - } - - if ( afpChain == null ) { - afpChain = algorithm.align(ca1, ca2); - } + AFPChain afpChain = algorithm.align(ca1, ca2); afpChain.setName1(name1); afpChain.setName2(name2); tmpFrame.dispose(); - // show results StructureAlignmentJmol jmol = StructureAlignmentDisplay.display(afpChain,ca1,ca2); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java index 76cea2c39f..c6bbc744d7 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java @@ -42,9 +42,10 @@ import java.util.TreeSet; public class JFatCatClient { - private final static Logger logger = LoggerFactory.getLogger(JFatCatClient.class); + + private static final Logger logger = LoggerFactory.getLogger(JFatCatClient.class); - private static ResourceManager resourceManager = ResourceManager.getResourceManager("jfatcat"); + private static final ResourceManager resourceManager = ResourceManager.getResourceManager("jfatcat"); private static final String serverAPPEND = "show?name1=%s&name2=%s"; From cc1206375234636955a6fe2e25b4a00577c138dc Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Fri, 3 Jul 2020 22:19:56 -0700 Subject: [PATCH 185/821] Removing JFatCatClient and dependencies --- CHANGELOG.md | 7 + .../structure/align/client/JFatCatClient.java | 388 ------------------ .../align/client/JobKillException.java | 37 -- .../structure/align/client/StructureName.java | 30 +- .../nbio/structure/align/util/AtomCache.java | 20 - .../domain/DomainProviderFactory.java | 52 --- .../nbio/structure/domain/PDPDomain.java | 82 ---- .../nbio/structure/domain/PDPProvider.java | 69 ---- .../domain/RemoteDomainProvider.java | 234 ----------- .../structure/domain/RemotePDPProvider.java | 261 ------------ .../structure/rcsb/GetRepresentatives.java | 7 +- .../nbio/structure/rcsb/ReadUtils.java | 23 ++ .../scop/CachedRemoteScopInstallation.java | 4 +- .../scop/RemoteScopInstallation.java | 26 +- .../align/client/TestStructureName.java | 10 - 15 files changed, 51 insertions(+), 1199 deletions(-) delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JobKillException.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/domain/DomainProviderFactory.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDPDomain.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDPProvider.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/domain/RemoteDomainProvider.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/domain/RemotePDPProvider.java diff --git a/CHANGELOG.md b/CHANGELOG.md index 195ca04996..bd6841d369 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,6 +1,13 @@ BioJava Changelog ----------------- +BioJava 6.0.0 (future release) +============================== +### Removed +* All code related to All-vs-All structural alignments db calculation and access +* JFatCatClient and all code depending on it +* PDP domain providers (depended on JFatCatClient) + BioJava 5.4.0 ============= ### Added diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java deleted file mode 100644 index c6bbc744d7..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JFatCatClient.java +++ /dev/null @@ -1,388 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.align.client; - -import org.biojava.nbio.structure.Atom; -import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.align.fatcat.FatCatRigid; -import org.biojava.nbio.structure.align.model.AFPChain; -import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.align.util.URLConnectionTools; -import org.biojava.nbio.structure.align.util.ResourceManager; -import org.biojava.nbio.structure.align.xml.*; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.io.BufferedReader; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; -import java.net.URL; -import java.net.URLEncoder; -import java.util.Random; -import java.util.SortedSet; -import java.util.TreeSet; - -public class JFatCatClient { - - private static final Logger logger = LoggerFactory.getLogger(JFatCatClient.class); - - private static final ResourceManager resourceManager = ResourceManager.getResourceManager("jfatcat"); - - private static final String serverAPPEND = "show?name1=%s&name2=%s"; - - private static final String sendAPPEND = "submit?name1=%s&name2=%s&version=%s"; - - private static final String multiSendAPPEND = "jobSubmit?username=%s&version=%s"; - - private static final String representAPPEND = "representatives?cluster=%s"; - - private static final String serverHasResult = "hasResult?method=%s&name1=%s&name2=%s"; - - private static final int DEFAULT_TIMEOUT = 5000; - - private static final String serverPositionInQueue = "queuePosition?method=%s&name1=%s&name2=%s"; - - private static Random generator; - - private static String newline = System.getProperty("line.separator"); - - private static String KILL_JOB = "KILL_JOB"; - - private static String COME_BACK_LATER = "COME_BACK_LATER"; - - static { - - generator = new Random(); - - } - - public static boolean hasPrecalculatedResult(String serverLocation, String method, String name1, String name2 ){ - return hasPrecalculatedResult(serverLocation, method, name1, name2, DEFAULT_TIMEOUT ); - } - - public static boolean hasPrecalculatedResult(String serverLocation, String method, String name1, String name2, int timeout){ - - String serverURL = serverLocation + serverHasResult; - - - boolean hasResults = false; - try { - String u = String.format(serverURL,URLEncoder.encode(method,"UTF-8"),name1,name2) ; - URL url = new URL(u); - //System.out.println("has result ? ..." + url); - - InputStream stream = URLConnectionTools.getInputStream(url,timeout); - - String xml = null; - - if ( stream != null) { - - xml = convertStreamToString(stream); - logger.info(" has PrecalcResults got XML from server: " + xml); - HasResultXMLConverter conv = new HasResultXMLConverter(); - hasResults = conv.fromXML(xml); - } - - } catch (IOException e){ - // log error and return false - logger.error("error in JFatCatClient: getAFPChainFromServer",e); - } - return hasResults; - } - - - public int getPositionInQueue(String serverLocation, String method, String name1, String name2){ - return getPositionInQueue(serverLocation, method, name1, name2, DEFAULT_TIMEOUT); - } - - public int getPositionInQueue(String serverLocation, String method, String name1, String name2, int timeout){ - String serverURL = serverLocation + serverPositionInQueue; - - - int position = Integer.MIN_VALUE; - try { - String u = String.format(serverURL,URLEncoder.encode(method,"UTF-8"),name1,name2) ; - URL url = new URL(u); - - InputStream stream = URLConnectionTools.getInputStream(url,timeout); - - String xml = null; - - if ( stream != null) { - - xml = convertStreamToString(stream); - //System.out.println("got XML from server: " + xml); - PositionInQueueXMLConverter conv = new PositionInQueueXMLConverter(); - position = conv.fromXML(xml); - } - - } catch (IOException e){ - logger.error("error in JFatCatClient: getAFPChainFromServer",e); // TODO dmyersturnbull: method should throw; we shouldn't catch here - } - return position; - - } - public static AFPChain getAFPChainFromServer(String serverLocation , String name1, String name2, Atom[] ca1, Atom[] ca2) { - String method = FatCatRigid.algorithmName; - return getAFPChainFromServer(serverLocation, method, name1, name2, ca1, ca2,DEFAULT_TIMEOUT); - } - - public static AFPChain getAFPChainFromServer(String serverLocation , String method, String name1, String name2, Atom[] ca1, Atom[] ca2, int timeout) - { - - String serverURL = serverLocation + serverAPPEND; - - try { - String u = String.format(serverURL,name1,name2) ; - - if ( method != null) - u+= "&method=" + URLEncoder.encode(method,"UTF-8"); - - URL url = new URL(u); - logger.info("requesting alignment from server..." + url); - // have a short timeout for this... - // 5 sec - InputStream stream = URLConnectionTools.getInputStream(url,timeout); - - String xml = null; - - if ( stream != null) { - - xml = convertStreamToString(stream); - } - if (xml != null) { - - return AFPChainXMLParser.fromXML (xml, name1, name2, ca1, ca2); - - } else { - return null; - } - // TODO dmyersturnbull: method should throw; we shouldn't catch here - } catch (IOException e){ - logger.error("error in JFatCatClient: getAFPChainFromServer",e); - } catch (StructureException e) { - logger.error("error in JFatCatClient: getAFPChainFromServer",e); - } - return null; - } - - - public static String convertStreamToString(InputStream stream){ - BufferedReader reader = new BufferedReader(new InputStreamReader(stream)); - StringBuilder sb = new StringBuilder(); - - String line = null; - try { - while ((line = reader.readLine()) != null) { - sb.append(line).append(newline); - } - } catch (IOException e) { - logger.error("Couldn't convert stream to string", e); // TODO dmyersturnbull: method should throw; we shouldn't catch here - } finally { - try { - stream.close(); - } catch (IOException e) { - logger.warn("Can't close stream", e); - } - } - - return sb.toString(); - } - - public static String sendMultiAFPChainToServer(String serverLocation, String multiXML, String username) throws JobKillException{ - String version = resourceManager.getString("jfatcat.version"); - return sendMultiAFPChainToServer(serverLocation, multiXML, username, version); - } - - public static String sendMultiAFPChainToServer(String serverLocation, String multiXML, String username, String version) throws JobKillException{ - String multiSendURL = serverLocation + multiSendAPPEND; - - String responseS = ""; - - String u = String.format(multiSendURL,username,version); - - int timeout = getTimeout(); - - boolean submitted = false; - - while (! submitted ){ - try { - URL url = new URL(u); - InputStream response = URLConnectionTools.doPOST(url, multiXML,timeout); - responseS = convertStreamToString(response); - submitted = true; - if (! responseS.contains("OK")) - logger.error("server returned " + responseS); - - // server is busy... wait a bit and try again - if ( responseS.startsWith(COME_BACK_LATER)){ - submitted = false; - } - - } catch (Exception e){ - logger.error("Error in JFatCatClient: while sending results back to server",e); - - try { - int randomSleep = getRandomSleepTime(); - logger.warn("sleeping " + (randomSleep/1000) + " sec."); - Thread.sleep(randomSleep); - } catch (InterruptedException ex){ - logger.warn("Interrupted while sleeping", ex); - } - } - } - - if ( responseS.startsWith(KILL_JOB)){ - throw new JobKillException("Server responded with KILL message."); - - } - - - return responseS; - } - - public static int getRandomSleepTime() { - - // now wait between 7 and 13 min. - - int minTime = 560000; - - int maxTime = 7800000 - minTime; - - int nextId = generator.nextInt(maxTime); - return minTime + nextId; - - } - - - public static final void sendAFPChainToServer(String serverLocation, AFPChain afpChain,Atom[] ca1, Atom[] ca2) throws JobKillException - { - - String sendURL = serverLocation + sendAPPEND; - - String version = resourceManager.getString("jfatcat.version"); - - int timeout = getTimeout(); - - try { - - // just to make sure that similarity has been calculated! - afpChain.getSimilarity(); - - String xml = AFPChainXMLConverter.toXML(afpChain, ca1, ca2); - - String u = String.format(sendURL,afpChain.getName1() , afpChain.getName2(),version); - - URL url = new URL(u); - - InputStream response = URLConnectionTools.doPOST(url, xml,timeout); - - logger.debug("got response: {}", convertStreamToString(response)); - - if ( xml.startsWith("KILL_JOB")){ - throw new JobKillException("Server responded with KILL message."); - } - - } catch (IOException e){ - logger.error("error in JFatCatClient: sendAFPChainToServer",e); - } - - } - - public static final int getTimeout(){ - String timeoutS = resourceManager.getString("connection.timeout"); - int timeout = 60000; - - try { - timeout = Integer.parseInt(timeoutS); - } catch (NumberFormatException ex ){ - logger.error("Bad connection.timeout parameter",ex); - } - return timeout; - } - - - public static final PdbPairsMessage getPdbPairs(String url,int nrPair, String username) throws IOException, JobKillException { - - - String urlS= url + "getPairs?" + "nrPairs=" + nrPair + "&username=" + URLEncoder.encode(username, "UTF-8"); - int timeout = getTimeout(); - - PdbPairsMessage msg = null; - logger.info("requesting {}", urlS); - URL serverUrl = new URL(urlS); - // we are very tolerant with requesting a set of pairs, since we probably depend on getting it to get work started... - // 1 min... - InputStream stream = URLConnectionTools.getInputStream(serverUrl,timeout); - String xml = null; - - if ( stream != null) { - - xml = convertStreamToString(stream); - if (xml != null) { - if ( xml.startsWith("KILL_JOB")){ - // we got the KILL signal from the server... - throw new JobKillException("Server responded with KILL message."); - } - msg = PdbPairXMLConverter.convertXMLtoPairs(xml); - - } - } - - return msg; - } - - - public static final SortedSet getRepresentatives(String serverLocation, int cutoff){ - SortedSet representatives = new TreeSet(); - - String representURL = serverLocation + representAPPEND; - - if ( cutoff < 20) - cutoff = 40; - int timeout = getTimeout(); - String u = String.format(representURL,cutoff); - - logger.info("Fetching representatives from "+u); - try { - URL url = new URL(u); - - InputStream stream = URLConnectionTools.getInputStream(url,timeout); - - String xml = null; - - if ( stream != null) { - - xml = convertStreamToString(stream); - } - if (xml != null) { - representatives = RepresentativeXMLConverter.fromXML(xml); - } - } catch (IOException e){ // TODO dmyersturnbull: method should throw; we shouldn't catch here - logger.error("Error fetching representatives",e); - } - return representatives; - } - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JobKillException.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JobKillException.java deleted file mode 100644 index 012a7b0838..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/JobKillException.java +++ /dev/null @@ -1,37 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Sep 16, 2009 - * Author: Andreas Prlic - * - */ - -package org.biojava.nbio.structure.align.client; - -public class JobKillException extends Exception { - - /** - * - */ - private static final long serialVersionUID = 1L; - - public JobKillException(String message){ - super(message); - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java index c81513edde..65598ad18f 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java @@ -44,9 +44,6 @@ import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.cath.CathDomain; import org.biojava.nbio.structure.cath.CathFactory; -import org.biojava.nbio.structure.domain.PDPDomain; -import org.biojava.nbio.structure.domain.PDPProvider; -import org.biojava.nbio.structure.domain.RemotePDPProvider; import org.biojava.nbio.structure.ecod.EcodFactory; import org.biojava.nbio.core.util.FileDownloadUtils; import org.biojava.nbio.structure.scop.ScopDatabase; @@ -88,7 +85,6 @@ public class StructureName implements Comparable, Serializable, S public enum Source { PDB, SCOP, - PDP, CATH, URL, FILE, @@ -171,10 +167,6 @@ private void init(){ if( ! initFromScop(suffix) ) throw new IllegalArgumentException("Malformed SCOP domain name:"+suffix); return; - case PDP: - if( ! initFromPDP(name) ) - throw new IllegalArgumentException("Malformed PDP domain name:"+suffix); - return; case CATH: if( ! initFromCATH(suffix) ) throw new IllegalArgumentException("Malformed CATH domain name:"+suffix); @@ -266,15 +258,7 @@ private boolean initFromScop(String name) { } return false; } - private boolean initFromPDP(String name) { - Matcher matcher = PDPDomain.PDP_NAME_PATTERN.matcher(name); - if( matcher.matches() ) { - pdbId = matcher.group(1).toUpperCase(); - chainName = matcher.group(2); - return true; - } - return false; - } + private boolean initFromCATH(String name) { Matcher matcher = cathPattern.matcher(name); if ( matcher.matches() ){ @@ -399,10 +383,6 @@ public boolean isScopName() { return mySource == Source.SCOP; } - public boolean isPDPDomain(){ - return mySource == Source.PDP; - } - public boolean isCathID(){ return mySource == Source.CATH; } @@ -502,14 +482,6 @@ public StructureIdentifier getBaseIdentifier() throws StructureException { throw new StructureException("Invalid URL: "+name,e); } break; - case PDP: - try { - PDPProvider provider = new RemotePDPProvider(false); - base = provider.getPDPDomain(name); - } catch (IOException e) { - throw new StructureException("Unable to fetch PDP domain "+name, e); - } - break; case BIO: base = new BioAssemblyIdentifier(name); break; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java index 4b7ba3f0fc..53b4352696 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java @@ -33,8 +33,6 @@ import org.biojava.nbio.structure.cath.CathDatabase; import org.biojava.nbio.structure.cath.CathDomain; import org.biojava.nbio.structure.cath.CathFactory; -import org.biojava.nbio.structure.domain.PDPProvider; -import org.biojava.nbio.structure.domain.RemotePDPProvider; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; @@ -77,14 +75,11 @@ public class AtomCache { public static final String CHAIN_NR_SYMBOL = ":"; public static final String CHAIN_SPLIT_SYMBOL = "."; - public static final String PDP_DOMAIN_IDENTIFIER = "PDP:"; - public static final String UNDERSCORE = "_"; private static final String FILE_SEPARATOR = System.getProperty("file.separator"); protected FileParsingParameters params; - protected PDPProvider pdpprovider; private FetchBehavior fetchBehavior; private ObsoleteBehavior obsoleteBehavior; @@ -439,10 +434,6 @@ public String getPath() { return path; } - public PDPProvider getPdpprovider() { - return pdpprovider; - } - /** * Request a Structure based on a name. * @@ -667,13 +658,6 @@ public Structure getStructureForDomain(String scopId, ScopDatabase scopDatabase) * flush themselves... */ public void notifyShutdown() { - // System.out.println(" AtomCache got notify shutdown.."); - if (pdpprovider != null) { - if (pdpprovider instanceof RemotePDPProvider) { - RemotePDPProvider remotePDP = (RemotePDPProvider) pdpprovider; - remotePDP.flushCache(); - } - } // todo: use a SCOP implementation that is backed by SerializableCache ScopDatabase scopInstallation = ScopFactory.getSCOP(); @@ -764,10 +748,6 @@ public void setPath(String path) { this.path = FileDownloadUtils.expandUserHome(path); } - public void setPdpprovider(PDPProvider pdpprovider) { - this.pdpprovider = pdpprovider; - } - /** * @return the useMmCif */ diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/DomainProviderFactory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/DomainProviderFactory.java deleted file mode 100644 index 51735bc5bc..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/DomainProviderFactory.java +++ /dev/null @@ -1,52 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.domain; - -import java.io.IOException; - - -/** A simple factory object that returns the system wide default DomainProvider - * - * @author andreas - * - */ -public class DomainProviderFactory { - - private DomainProviderFactory(){ - - } - - static DomainProvider domainProvider ; - - - - public static void setDomainProvider(DomainProvider provider){ - domainProvider = provider; - - } - - public static DomainProvider getDomainProvider() throws IOException{ - if ( domainProvider == null) - domainProvider = new RemoteDomainProvider(true); - - return domainProvider; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDPDomain.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDPDomain.java deleted file mode 100644 index fe3f6b6beb..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDPDomain.java +++ /dev/null @@ -1,82 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.domain; - -import java.io.IOException; -import java.util.List; -import java.util.regex.Matcher; -import java.util.regex.Pattern; - -import org.biojava.nbio.structure.ResidueRange; -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureIdentifier; -import org.biojava.nbio.structure.SubstructureIdentifier; -import org.biojava.nbio.structure.align.util.AtomCache; - -public class PDPDomain implements StructureIdentifier { - private static final long serialVersionUID = 6894463080739943026L; - - private String identifier; - private SubstructureIdentifier canonical; - - public static final Pattern PDP_NAME_PATTERN = Pattern.compile("^(?:PDP:)([0-9][a-z0-9]{3})(\\w)(\\w)$",Pattern.CASE_INSENSITIVE); - - public PDPDomain(String pdpDomainName, List ranges) { - this.identifier = pdpDomainName; - Matcher matcher = PDP_NAME_PATTERN.matcher(identifier); - if(!matcher.matches()) { - throw new IllegalArgumentException("Malformed PDP domain name"); - } - String pdbId = matcher.group(1); - this.canonical = new SubstructureIdentifier(pdbId,ranges); - } - - @Override - public String getIdentifier() { - return identifier; - } - - public String getPdbId() { - return canonical.getPdbId(); - } - - @Override - public SubstructureIdentifier toCanonical() { - return canonical; - } - - @Override - public Structure reduce(Structure input) throws StructureException { - return canonical.reduce(input); - } - - @Override - public String toString() { - return getIdentifier(); - } - - @Override - public Structure loadStructure(AtomCache cache) throws StructureException, - IOException { - return canonical.loadStructure(cache); - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDPProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDPProvider.java deleted file mode 100644 index d621373bb1..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDPProvider.java +++ /dev/null @@ -1,69 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on May 1, 2012 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.domain; - -import java.io.IOException; -import java.util.SortedSet; - -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.align.util.AtomCache; - -/** - * Decomposes a structure into representative PDP domains. - * - * Implementations will probably want to also implement {@link DomainProvider}, - * which provides a very similar set of methods for general structure domain - * decomposition. - * @author Andreas Prlic - * @since 3.0.2 - */ -public interface PDPProvider { - - /** - * Get a list of all PDP domains for a given PDB entry - * @param pdbId PDB ID - * @return Set of domain names, e.g. "PDP:4HHBAa" - * @throws IOException - */ - public SortedSet getPDPDomainNamesForPDB(String pdbId) throws IOException; - /** - * Get the structure for a particular PDP domain - * @param pdpDomainName PDP identifier, e.g. "PDP:4HHBAa" - * @param cache AtomCache, responsible for fetching and storing the coordinates - * @return Structure representing the PDP domain - * @throws IOException For IO errors, e.g. when parsing PDP information - * @throws StructureException For errors creating the structure - */ - public Structure getDomain(String pdpDomainName, AtomCache cache) throws IOException, StructureException; - /** - * Get a StructureIdentifier representing the specified PDP domain. - * - * @param pdpDomainName PDP domain name - * @return a PDPDomain representing this domain name - * @throws IOException - */ - public PDPDomain getPDPDomain(String pdpDomainName) throws IOException; -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/RemoteDomainProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/RemoteDomainProvider.java deleted file mode 100644 index 5d5aaaefd6..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/RemoteDomainProvider.java +++ /dev/null @@ -1,234 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.domain; - -import java.io.IOException; -import java.io.InputStream; -import java.net.MalformedURLException; -import java.net.URL; -import java.util.List; -import java.util.Map; -import java.util.SortedSet; -import java.util.TreeSet; - -import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.align.client.JFatCatClient; -import org.biojava.nbio.structure.align.client.StructureName; -import org.biojava.nbio.structure.align.util.URLConnectionTools; -import org.biojava.nbio.structure.scop.ScopDatabase; -import org.biojava.nbio.structure.scop.ScopDomain; -import org.biojava.nbio.structure.scop.ScopFactory; -import org.biojava.nbio.structure.scop.server.XMLUtil; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - - -/** - * A DomainProvider that uses a mixture of SCOP and PDP domains. - * - * SCOP domains are preferred, with PDP providing a backup for structures where - * SCOP has not been assigned. - * - * As of 2015, this class is equivalent to the method used by RCSB to define - * representatives for structural similarity comparisons. - */ -public class RemoteDomainProvider extends SerializableCache> implements DomainProvider{ - private static final Logger logger = LoggerFactory.getLogger(RemoteDomainProvider.class); - - public String url = RemotePDPProvider.DEFAULT_SERVER; - - ScopDatabase scop; - PDPProvider pdp; - - private static String CACHE_FILE_NAME = "remotedomaincache.ser"; - - - public RemoteDomainProvider(){ - // equivalent to this(false) but without IOException - super(CACHE_FILE_NAME); - disableCache(); - scop = ScopFactory.getSCOP(); - pdp = new RemotePDPProvider(); - } - - /** initialize this provider with caching enabled - * - * @param cache - * @throws IOException - */ - public RemoteDomainProvider(boolean cache) throws IOException{ - super(CACHE_FILE_NAME); - - if( ! cache) { - disableCache(); - //} else if ( serializedCache.keySet().size() < 20000){ - } else { - // always load the representative assignments from server... - // this makes sure we always have the latest assignments - loadRepresentativeDomainAssignments(); - } - - scop = ScopFactory.getSCOP(); - pdp = new RemotePDPProvider(cache); - } - - /** Requests the domain assignments for the current PDB IDs from the PDB. - * @throws IOException if the server cannot be reached - * - */ - private void loadRepresentativeDomainAssignments() throws IOException { - AssignmentXMLSerializer results = null; - try { - URL u = new URL(url + "getRepresentativeDomains"); - logger.info("Fetching {}",u); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); - results = AssignmentXMLSerializer.fromXML(xml); - - Map data = results.getAssignments(); - logger.info("got {} ranges from server.",data.size()); - for (String key: data.keySet()){ - String range = data.get(key); - - // work around list in results; - - String[] spl = range.split(","); - SortedSet value = new TreeSet(); - - for (String s : spl){ - value.add(s); - - } - serializedCache.put(key, value); - } - - } catch (MalformedURLException e){ - logger.error("Malformed Domain server: "+url,e); - throw new IllegalArgumentException("Invalid Server: "+url, e); - } - } - - @Override - public SortedSet getDomainNames(String name) throws IOException, StructureException { - - - if ( name.length() < 4) - throw new IllegalArgumentException("Can't interpret IDs that are shorter than 4 residues!"); - - if ( serializedCache != null){ - if ( serializedCache.containsKey(name)){ - return serializedCache.get(name); - } - } - - StructureName n = new StructureName(name); - - ListscopDomains = scop.getDomainsForPDB(n.getPdbId()); - - String chainID = n.getChainId(); - - if ( scopDomains == null || scopDomains.size() == 0){ - SortedSet data= getPDPDomains(n); - cache(name,data); - return data; - } else { - SortedSet r = new TreeSet(); - for ( ScopDomain d: scopDomains){ - StructureName s = new StructureName(d.getScopId()); - - if( chainID == null){ - r.add(s.getIdentifier()); - - } else if( s.getChainId().equalsIgnoreCase(n.getChainId())) { - // SCOP IDS are case insensitive... - r.add(s.getIdentifier()); - } - } - cache(name,r); - return r; - } - - - - } - - - - - private SortedSet getPDPDomains(StructureName n) throws IOException, StructureException { - SortedSet pdpDomains = pdp.getPDPDomainNamesForPDB(n.getPdbId()); - - SortedSet r = new TreeSet(); - String chainID = n.getChainId(); - for ( String s : pdpDomains){ - StructureName d = new StructureName(s); - if ( chainID == null) - r.add(s); - else if ( d.getChainId().equals(n.getChainId())){ - r.add(s); - } - } - logger.info(n + " got PDP domains: "+ r); - return r; - } - - public static void main(String[] args) throws IOException, StructureException{ - String name ="3KIH.A"; - RemoteDomainProvider me = new RemoteDomainProvider(true); - System.out.println(me.getDomainNames(name)); - StructureName n = new StructureName(name); - System.out.println(n); - //System.out.println(new AtomCache().getStructure(name)); - me.flushCache(); - } - - @Override - public void flushCache() { - super.flushCache(); - if ( pdp instanceof RemotePDPProvider){ - RemotePDPProvider remotePDP = (RemotePDPProvider)pdp; - remotePDP.flushCache(); - } - } - - @Override - public SortedSet getRepresentativeDomains() throws IOException { - - String url = "http://source.rcsb.org/jfatcatserver/domains/getRepresentativeDomainNames"; - SortedSet domainRanges = null; - try { - URL u = new URL(url); - logger.info("Fetching {}",url); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); - //System.out.println(xml); - domainRanges = XMLUtil.getDomainRangesFromXML(xml); - } catch (MalformedURLException e){ - logger.error("Malformed Domain server: "+url,e); - throw new IllegalArgumentException("Invalid Server: "+url, e); - } - return domainRanges; - } - - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/RemotePDPProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/RemotePDPProvider.java deleted file mode 100644 index d45a0285bd..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/RemotePDPProvider.java +++ /dev/null @@ -1,261 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Aug 31, 2011 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.domain; - -import java.io.IOException; -import java.io.InputStream; -import java.net.MalformedURLException; -import java.net.URL; -import java.util.ArrayList; -import java.util.List; -import java.util.Map; -import java.util.SortedSet; -import java.util.TreeSet; - -import org.biojava.nbio.structure.ResidueRange; -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.SubstructureIdentifier; -import org.biojava.nbio.structure.align.client.JFatCatClient; -import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.align.util.URLConnectionTools; -import org.biojava.nbio.structure.scop.server.XMLUtil; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - - -/** A class that provided PDP assignments that are loaded from a remote web server - * - * @author Andreas Prlic - * - */ -public class RemotePDPProvider extends SerializableCache> implements PDPProvider{ - - private static final Logger logger = LoggerFactory.getLogger(RemotePDPProvider.class); - - public static final String DEFAULT_SERVER = "http://source.rcsb.org/jfatcatserver/domains/"; - - String server = DEFAULT_SERVER; - - private static String CACHE_FILE_NAME = "remotepdpdomaindefs.ser"; - - - public static void main(String[] args) throws IOException, StructureException{ - RemotePDPProvider me = new RemotePDPProvider(true); - - //System.out.println(scop.getByCategory(ScopCategory.Superfamily)); - SortedSet pdpdomains = me.getPDPDomainNamesForPDB("4HHB"); - System.out.println(pdpdomains); - - AtomCache cache = new AtomCache(); - Structure s = me.getDomain(pdpdomains.first(), cache); - System.out.println(s); - - me.flushCache(); - - } - - - public RemotePDPProvider(){ - // equivalent to this(false) but without IOException - super(CACHE_FILE_NAME); - disableCache(); - } - - - /** - * - * @param useCache - * @throws IOException - */ - public RemotePDPProvider(boolean useCache) throws IOException { - - super(CACHE_FILE_NAME); - - if ( ! useCache) { - disableCache(); - //else if ( serializedCache.keySet().size() < 10000){ - } else { - // make sure we always have the latest assignments... - loadRepresentativeDomains(); - } - - } - - - - /** get the ranges of representative domains from the centralized server - * @throws IOException if the server cannot be reached - */ - private void loadRepresentativeDomains() throws IOException { - - AssignmentXMLSerializer results = null; - try { - URL u = new URL(server + "getRepresentativePDPDomains"); - logger.info("Fetching {}",u); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); - results = AssignmentXMLSerializer.fromXML(xml); - - Map data = results.getAssignments(); - logger.info("got {} domain ranges for PDP domains from server.",data.size()); - for (String key: data.keySet()){ - String range = data.get(key); - - // work around list in results; - - String[] spl = range.split(","); - SortedSet value = new TreeSet(); - - for (String s : spl){ - value.add(s); - - } - serializedCache.put(key, value); - } - - } catch (MalformedURLException e){ - logger.error("Malformed PDP server: "+server,e); - throw new IllegalArgumentException("Invalid Server: "+server, e); - } - } - - - public String getServer() { - return server; - } - - public void setServer(String server) { - this.server = server; - } - - /** - * Get the structure for a particular PDP domain - * @param pdpDomainName PDP identifier, e.g. "PDP:4HHBAa" - * @param cache AtomCache, responsible for fetching and storing the coordinates - * @return Structure representing the PDP domain - * @throws IOException if the server cannot be reached - * @throws StructureException For errors parsing the structure - */ - @Override - public Structure getDomain(String pdpDomainName, AtomCache cache) throws IOException, StructureException { - return cache.getStructure(getPDPDomain(pdpDomainName)); - } - - /** - * Get a StructureIdentifier representing the specified PDP domain. - * - * @param pdpDomainName PDP domain name - * @return a PDPDomain representing this domain name - * @throws IOException if the server cannot be reached - */ - @Override - public PDPDomain getPDPDomain(String pdpDomainName) throws IOException{ - SortedSet domainRanges = null; - if ( serializedCache != null){ - if ( serializedCache.containsKey(pdpDomainName)){ - domainRanges= serializedCache.get(pdpDomainName); - - } - } - - - boolean shouldRequestDomainRanges = checkDomainRanges(domainRanges); - - try { - if (shouldRequestDomainRanges){ - URL u = new URL(server + "getPDPDomain?pdpId="+pdpDomainName); - logger.info("Fetching {}",u); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); - domainRanges = XMLUtil.getDomainRangesFromXML(xml); - if ( domainRanges != null) - cache(pdpDomainName,domainRanges); - } - } catch (MalformedURLException e){ - logger.error("Problem generating PDP request URL for "+pdpDomainName,e); - throw new IllegalArgumentException("Invalid PDP name: "+pdpDomainName, e); - } - - String pdbId = null; - List ranges = new ArrayList(); - for(String domainRange : domainRanges) { - SubstructureIdentifier strucId = new SubstructureIdentifier(domainRange); - if(pdbId == null) { - pdbId = strucId.getPdbId(); - } else if(!pdbId.equals(strucId.getPdbId())) { - // should never happen with correct server implementation - throw new RuntimeException("Don't know how to take the union of domains from multiple PDB IDs."); - } - - ranges.addAll(strucId.getResidueRanges()); - } - return new PDPDomain(pdpDomainName,ranges); - } - - /** returns true if client should fetch domain definitions from server - * - * @param domainRanges - * @return - */ - private boolean checkDomainRanges(SortedSet domainRanges) { - - if ( (domainRanges == null) || (domainRanges.size() == 0)){ - return true; - } - - for ( String d : domainRanges){ - //System.out.println("domainRange: >" + d +"< " + d.length()); - if ( (d != null) && (d.length() >0)){ - return false; - } - } - - return true; - } - - /** - * Get a list of all PDP domains for a given PDB entry - * @param pdbId PDB ID - * @return Set of domain names, e.g. "PDP:4HHBAa" - * @throws IOException if the server cannot be reached - */ - @Override - public SortedSet getPDPDomainNamesForPDB(String pdbId) throws IOException{ - SortedSet results = null; - try { - URL u = new URL(server + "getPDPDomainNamesForPDB?pdbId="+pdbId); - logger.info("Fetching {}",u); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); - results = XMLUtil.getDomainRangesFromXML(xml); - - } catch (MalformedURLException e){ - logger.error("Problem generating PDP request URL for "+pdbId,e); - throw new IllegalArgumentException("Invalid PDB name: "+pdbId, e); - } - return results; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/GetRepresentatives.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/GetRepresentatives.java index c3bbf1b907..6d37ab4b24 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/GetRepresentatives.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/GetRepresentatives.java @@ -20,10 +20,11 @@ */ package org.biojava.nbio.structure.rcsb; -import org.biojava.nbio.structure.align.client.JFatCatClient; import org.biojava.nbio.structure.align.client.StructureName; import org.biojava.nbio.structure.align.util.URLConnectionTools; import org.biojava.nbio.structure.align.xml.RepresentativeXMLConverter; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; import java.io.BufferedReader; import java.io.InputStream; @@ -39,6 +40,8 @@ */ public class GetRepresentatives { + private static final Logger logger = LoggerFactory.getLogger(GetRepresentatives.class); + private static String clusterUrl = "http://www.rcsb.org/pdb/rest/representatives?cluster="; private static String allUrl = "http://www.rcsb.org/pdb/rest/getCurrent/"; @@ -72,7 +75,7 @@ public static SortedSet getRepresentatives(int sequenceIdentity) String xml = null; if (stream != null) { - xml = JFatCatClient.convertStreamToString(stream); + xml = ReadUtils.convertStreamToString(stream); SortedSet reps = RepresentativeXMLConverter.fromXML(xml); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/ReadUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/ReadUtils.java index 27efb2e36d..ece82b16e3 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/ReadUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/ReadUtils.java @@ -34,8 +34,10 @@ import javax.xml.parsers.DocumentBuilder; import javax.xml.parsers.DocumentBuilderFactory; import javax.xml.parsers.ParserConfigurationException; +import java.io.BufferedReader; import java.io.IOException; import java.io.InputStream; +import java.io.InputStreamReader; /** * Package-level static utilities for parsing XML. @@ -109,4 +111,25 @@ static Integer toInt(String s) { return null; } + public static String convertStreamToString(InputStream stream){ + BufferedReader reader = new BufferedReader(new InputStreamReader(stream)); + StringBuilder sb = new StringBuilder(); + + String line = null; + try { + while ((line = reader.readLine()) != null) { + sb.append(line).append("\n"); + } + } catch (IOException e) { + logger.error("Couldn't convert stream to string", e); // TODO dmyersturnbull: method should throw; we shouldn't catch here + } finally { + try { + stream.close(); + } catch (IOException e) { + logger.warn("Can't close stream", e); + } + } + + return sb.toString(); + } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/CachedRemoteScopInstallation.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/CachedRemoteScopInstallation.java index 5f7ca94589..b78dc5e4f4 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/CachedRemoteScopInstallation.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/CachedRemoteScopInstallation.java @@ -24,9 +24,9 @@ */ package org.biojava.nbio.structure.scop; -import org.biojava.nbio.structure.align.client.JFatCatClient; import org.biojava.nbio.structure.align.util.URLConnectionTools; import org.biojava.nbio.structure.domain.SerializableCache; +import org.biojava.nbio.structure.rcsb.ReadUtils; import org.biojava.nbio.structure.scop.server.ScopDomains; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -93,7 +93,7 @@ private void loadRepresentativeDomains() throws IOException { } logger.info("Using " + u + " to download representative domains"); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); ScopDomains results = ScopDomains.fromXML(xml); logger.info("got " + results.getScopDomain().size() + " domain ranges for Scop domains from server."); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/RemoteScopInstallation.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/RemoteScopInstallation.java index a1534f0071..96cda0e3e3 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/RemoteScopInstallation.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/RemoteScopInstallation.java @@ -24,8 +24,8 @@ */ package org.biojava.nbio.structure.scop; -import org.biojava.nbio.structure.align.client.JFatCatClient; import org.biojava.nbio.structure.align.util.URLConnectionTools; +import org.biojava.nbio.structure.rcsb.ReadUtils; import org.biojava.nbio.structure.scop.server.ScopDescriptions; import org.biojava.nbio.structure.scop.server.ScopDomains; import org.biojava.nbio.structure.scop.server.ScopNodes; @@ -75,7 +75,7 @@ public List getByCategory(ScopCategory category) { try { URL u = new URL(server + "getByCategory?category="+category+"&version="+getScopVersion()); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); if(! xml.trim().isEmpty()) { ScopDescriptions container = ScopDescriptions.fromXML(xml); @@ -93,7 +93,7 @@ public List filterByClassificationId(String query) { try { URL u = new URL(server + "filterByClassificationId?query="+query+"&version="+getScopVersion()); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); if(! xml.trim().isEmpty()) { ScopDescriptions container = ScopDescriptions.fromXML(xml); @@ -111,7 +111,7 @@ public List getTree(ScopDomain domain) { try { URL u = new URL(server + "getTree?scopId="+domain.getScopId()+"&version="+getScopVersion()); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); if(! xml.trim().isEmpty()) { ScopNodes container = ScopNodes.fromXML(xml); @@ -131,7 +131,7 @@ public List filterByDomainName(String query) { URL u = new URL(server + "filterByDomainName?query="+query+"&version="+getScopVersion()); //System.out.println(u); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); if(! xml.trim().isEmpty()) { ScopDomains container = ScopDomains.fromXML(xml); @@ -149,7 +149,7 @@ public List filterByDescription(String query) { try { URL u = new URL(server + "filterByDescription?query="+query+"&version="+getScopVersion()); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); if(! xml.trim().isEmpty()) { ScopDescriptions container = ScopDescriptions.fromXML(xml); @@ -171,7 +171,7 @@ public ScopDescription getScopDescriptionBySunid(int sunid) { URL u = new URL(server + "getScopDescriptionBySunid?sunid="+sunid+"&version="+getScopVersion()); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); if(! xml.trim().isEmpty()) { desc = XMLUtil.getScopDescriptionFromXML(xml); @@ -189,7 +189,7 @@ public List getDomainsForPDB(String pdbId) { try { URL u = new URL(server + "getDomainsForPDB?pdbId="+pdbId+"&version="+getScopVersion()); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); if( !xml.trim().isEmpty()) { ScopDomains container = ScopDomains.fromXML(xml); @@ -206,7 +206,7 @@ private ScopDomain requestRemoteDomainByScopID(String scopId) scopId = scopId.trim(); URL u = new URL(server + "getDomainByScopID?scopId="+scopId+"&version="+getScopVersion()); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); if( !xml.trim().isEmpty()) { return XMLUtil.getScopDomainFromXML(xml); @@ -229,7 +229,7 @@ public ScopNode getScopNode(int sunid) { try { URL u = new URL(server + "getScopNode?sunid="+sunid+"&version="+getScopVersion()); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); if( !xml.trim().isEmpty()) { desc = XMLUtil.getScopNodeFromXML(xml); @@ -247,7 +247,7 @@ public String getScopVersion() { try { URL u = new URL(server + "getScopVersion"); InputStream response = URLConnectionTools.getInputStream(u); - version = JFatCatClient.convertStreamToString(response); + version = ReadUtils.convertStreamToString(response); if( version != null) version = version.trim(); @@ -269,7 +269,7 @@ public List getScopDomainsBySunid(Integer sunid) { try { URL u = new URL(server + "getScopDomainsBySunid?sunid="+sunid+"&version="+getScopVersion()); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); if( !xml.trim().isEmpty()) { ScopDomains container = ScopDomains.fromXML(xml); @@ -288,7 +288,7 @@ public List getComments(int sunid) { try { URL u = new URL(server + "getComments?sunid="+sunid+"&version="+getScopVersion()); InputStream response = URLConnectionTools.getInputStream(u); - String xml = JFatCatClient.convertStreamToString(response); + String xml = ReadUtils.convertStreamToString(response); if( !xml.trim().isEmpty()) { results = XMLUtil.getCommentsFromXML(xml); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/client/TestStructureName.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/client/TestStructureName.java index 3b197d733f..d68090047d 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/client/TestStructureName.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/client/TestStructureName.java @@ -135,11 +135,6 @@ public void testPrefixes() throws StructureException { assertTrue(sn.isCathID()); assertTrue(sn.getSource() == CATH); assertEquals("1QVR",sn.getPdbId()); - // PDP - sn = new StructureName("PDP:4HHBAa"); - assertTrue(sn.isPDPDomain()); - assertTrue(sn.getSource() == PDP); - assertEquals("4HHB",sn.getPdbId()); // URL sn = new StructureName("URL:http://www.rcsb.org/pdb/files/1B8G.pdb.gz"); assertTrue(sn.isURL()); @@ -215,11 +210,6 @@ public void testGuesses() throws StructureException { assertTrue(sn.isCathID()); assertTrue(sn.getSource() == CATH); assertEquals("1QVR",sn.getPdbId()); - // PDP is not guessed - sn = new StructureName("4HHBAa"); - assertFalse(sn.isPDPDomain()); - assertTrue(sn.getSource() == PDB); - assertEquals("4HHBAa",sn.getPdbId()); // URL sn = new StructureName("http://www.rcsb.org/pdb/files/1B8G.pdb.gz"); assertTrue(sn.isURL()); From 2d0387123b9b29854f42fd3609b9dd01066c93f7 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Fri, 3 Jul 2020 23:21:51 -0700 Subject: [PATCH 186/821] Fixing test, fixing docs, bumping SNAPSHOT --- CHANGELOG.md | 1 + biojava-aa-prop/pom.xml | 6 +++--- biojava-alignment/pom.xml | 4 ++-- biojava-core/pom.xml | 2 +- biojava-genome/pom.xml | 6 +++--- biojava-integrationtest/pom.xml | 4 ++-- biojava-modfinder/pom.xml | 4 ++-- biojava-ontology/pom.xml | 2 +- biojava-protein-disorder/pom.xml | 4 ++-- biojava-structure-gui/pom.xml | 6 +++--- biojava-structure/pom.xml | 6 +++--- .../biojava/nbio/structure/StructureIO.java | 1 - .../structure/align/client/StructureName.java | 4 +--- .../nbio/structure/align/ce/CeCPMainTest.java | 18 ++++++++++++++---- biojava-survival/pom.xml | 2 +- biojava-ws/pom.xml | 4 ++-- pom.xml | 2 +- 17 files changed, 42 insertions(+), 34 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index bd6841d369..6f3acd48f0 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,7 @@ BioJava 6.0.0 (future release) * All code related to All-vs-All structural alignments db calculation and access * JFatCatClient and all code depending on it * PDP domain providers (depended on JFatCatClient) +* Support for retrieving structure data with prefix "PDP:" (AtomCache, StructureIO) BioJava 5.4.0 ============= diff --git a/biojava-aa-prop/pom.xml b/biojava-aa-prop/pom.xml index a2e7342c8c..78344622b1 100644 --- a/biojava-aa-prop/pom.xml +++ b/biojava-aa-prop/pom.xml @@ -2,7 +2,7 @@ biojava org.biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT 4.0.0 biojava-aa-prop @@ -70,12 +70,12 @@ org.biojava biojava-core - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT org.biojava biojava-structure - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index e1080222d3..a22b560d19 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 71d3fd5794..6cc9c6c9af 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index 03ff9b2c56..e219872582 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT compile org.biojava biojava-alignment - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index 60d537046d..0bd381f989 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index 458ee4a2fe..4df1148dee 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index a50275e091..03787e7d7a 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index 42ac69b916..9153de3e05 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index 0b375b2a89..a57bf73cdb 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT compile org.biojava biojava-core - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index fc4584ce37..e59f89dc33 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT compile org.biojava biojava-core - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT compile diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java index a90bc6db8c..193ed78e3d 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java @@ -61,7 +61,6 @@ public class StructureIO { chainID := [a-zA-Z0-9] scopID := 'd' pdbID [a-z_][0-9_] biol := 'BIO:' pdbID [:]? [0-9]+ - pdp := 'PDP:' pdbID[A-Za-z0-9_]+ resNum := [-+]?[0-9]+[A-Za-z]? diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java index 65598ad18f..58f244343c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/client/StructureName.java @@ -64,7 +64,7 @@ * information may be loaded from one of the factory classes: * {@link CathFactory},{@link ScopFactory}, etc. * - * @see #getIdentifier() the name. e.g. 4hhb, 4hhb.A, d4hhba_, PDP:4HHBAa etc. + * @see #getIdentifier() the name. e.g. 4hhb, 4hhb.A, d4hhba_ etc. */ public class StructureName implements Comparable, Serializable, StructureIdentifier { @@ -116,8 +116,6 @@ public enum Source { * Examples: 4hhb, 4hhb.A, 4hhb.A:1-50. *
  • SCOP SCOP domain (or SCOPe, depending on the * {@link ScopFactory#getSCOP()} version). Example: d1h6w.2 - *
  • PDP Protein Domain Parser domain. PDP domains are not guessed, - * making the PDP: prefix obligatory. Example: PDP:4HHBAa *
  • CATH Cath domains. Example: 1qvrC03 *
  • URL Arbitrary URLs. Most common protocols are handled, * including http://, ftp://, and file://. Some parsing information can diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java index 0d76dc98ce..20bc3901fe 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java @@ -34,7 +34,9 @@ import java.io.IOException; import java.lang.reflect.InvocationTargetException; +import java.util.ArrayList; import java.util.Arrays; +import java.util.List; /** @@ -405,15 +407,23 @@ private Atom[] makeDummyCA(int len) throws PDBParseException { @Test public void testCECP1() throws IOException, StructureException{ - String name1 = "PDP:3A2KAc"; + //String name1 = "PDP:3A2KAc"; + String pdb1 = "3A2K"; String name2 = "d1wy5a2"; + AtomCache cache = new AtomCache(); - CeCPMain algorithm = new CeCPMain(); + // since BioJava 6.0.0, there's no PDP provider. The below corresponds to domain "PDP:3A2KAc" + List ranges = new ArrayList<>(); + // 234-333 + ranges.add(new ResidueRange("A", new ResidueNumber("A",234, null), new ResidueNumber("A", 333, null))); + SubstructureIdentifier ssi = new SubstructureIdentifier(pdb1, ranges); + Structure structure1 = cache.getStructure(pdb1); + ssi.reduce(structure1); - AtomCache cache = new AtomCache(); + CeCPMain algorithm = new CeCPMain(); - Atom[] ca1 = cache.getAtoms(name1); + Atom[] ca1 = StructureTools.getAtomCAArray(structure1); Atom[] ca2 = cache.getAtoms(name2); AFPChain afpChain = algorithm.align(ca1, ca2); diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index 62d4eb3667..8774d85478 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index ff394e7444..65b13c6730 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT compile diff --git a/pom.xml b/pom.xml index 2b2cd74ce8..c3ffa1ece2 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 5.4.1-SNAPSHOT + 6.0.0-SNAPSHOT biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the From 5a831abd7134aa840365a2d428d1ca3917823087 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sat, 4 Jul 2020 10:07:43 -0700 Subject: [PATCH 187/821] Removing now unused class and package --- .../events/AlignmentProgressListener.java | 38 ------------------- 1 file changed, 38 deletions(-) delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/align/events/AlignmentProgressListener.java diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/events/AlignmentProgressListener.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/events/AlignmentProgressListener.java deleted file mode 100644 index b8c898d251..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/events/AlignmentProgressListener.java +++ /dev/null @@ -1,38 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.align.events; - -public interface AlignmentProgressListener { - - public void alignmentStarted(String name1, String name2); - - public void alignmentEnded(); - - public void logStatus(String message); - - public void downloadingStructures(String name); - - public void requestingAlignmentsFromServer(int nrAlignments); - - public void sentResultsToServer(int nrAlignments,String serverMessage); - - -} From 2f9e264a44c6ea9093c6b2ddf63b9352dcbf2d69 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sat, 4 Jul 2020 13:33:15 -0700 Subject: [PATCH 188/821] Fixing pom versions --- biojava-protein-comparison-tool/pom.xml | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/biojava-protein-comparison-tool/pom.xml b/biojava-protein-comparison-tool/pom.xml index ad9bd325b6..8791985f38 100644 --- a/biojava-protein-comparison-tool/pom.xml +++ b/biojava-protein-comparison-tool/pom.xml @@ -5,7 +5,7 @@ biojava org.biojava - 5.0.0-SNAPSHOT + 6.0.0-SNAPSHOT biojava-protein-comparison-tool @@ -37,23 +37,23 @@ org.biojava biojava-alignment - 5.0.0-SNAPSHOT + 6.0.0-SNAPSHOT org.biojava biojava-core - 5.0.0-SNAPSHOT + 6.0.0-SNAPSHOT org.biojava biojava-structure - 5.0.0-SNAPSHOT + 6.0.0-SNAPSHOT org.biojava biojava-structure-gui - 5.0.0-SNAPSHOT + 6.0.0-SNAPSHOT net.sourceforge.jmol From a35adcf6f0ffe8841f92bcf2e60032bf9eb50c80 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sat, 4 Jul 2020 14:29:07 -0700 Subject: [PATCH 189/821] Adjusting help strings --- .../ce/AbstractUserArgumentProcessor.java | 35 +++++-------------- 1 file changed, 8 insertions(+), 27 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java index a8fb5c899c..85e2c100ab 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/AbstractUserArgumentProcessor.java @@ -297,8 +297,6 @@ private void runPairwise() throws ConfigurationException{ } } - - String name2 = params.getPdb2(); String file2 = params.getFile2(); if ( name2 == null && file2 == null ){ @@ -449,9 +447,9 @@ private void runPairwise() throws ConfigurationException{ } } - /** check if the result should be written to the local file system + /** + * check if the result should be written to the local file system * - * @param params2 * @param afpChain * @param ca1 * @param ca2 @@ -525,21 +523,17 @@ private void checkWriteFile( AFPChain afpChain, Atom[] ca1, Atom[] ca2, boolean FileOutputStream out; // declare a file output object PrintStream p; // declare a print stream object - // Create a new file output stream - out = new FileOutputStream(fileName); - - // Connect print stream to the output stream - p = new PrintStream( out ); - - p.println (output); - - p.close(); + // Create a new file output stream + out = new FileOutputStream(fileName); + // Connect print stream to the output stream + p = new PrintStream( out ); + p.println (output); + p.close(); } - private String getAutoFileName(AFPChain afpChain){ String fileName =afpChain.getName1()+"_" + afpChain.getName2()+"_"+afpChain.getAlgorithmName(); @@ -550,7 +544,6 @@ private String getAutoFileName(AFPChain afpChain){ return fileName; } - private Structure getStructure(AtomCache cache, String name1, String file) { @@ -654,18 +647,6 @@ public String printHelp() { buf.append(" -outFile (mandatory) a file that will contain the summary of all the pairwise alignments").append(newline); buf.append(newline); - buf.append("--- database searches ---").append(newline); - buf.append(" -searchFile (mandatory) path to a PDB file that should be used in the search").append(newline); - buf.append(" -outFile (mandatory) a directory that will contain the results of the DB search").append(newline); - buf.append(" -nrCPU (optional) Number of CPUs to use for the database search. By default will use the all, but one CPU in the system.").append(newline); - buf.append(" -pdbFilePath (mandatory) Path to the directory in your file system that contains the PDB files.").append(newline); - buf.append(" -saveOutputDir (optional) a directory that will contain the detailed outputs of the alignments. By default will write XML files, if used together with -outputPDB, will write PDB files of the alignment.").append(newline); - buf.append(newline); - - buf.append(" Once DB seaches are complete it is possible to view the results with:").append(newline); - buf.append(" -showDBresult (optional) path to a DB outFile to show. Also provide the -pdbFilePath parameter to enable visualisation of results.").append(newline); - buf.append(newline); - ConfigStrucAligParams params = alg.getParameters(); List paramNames = params.getUserConfigParameters(); List paramHelp = params.getUserConfigHelp(); From a73eee7c4562425d073fb30d6a38d85a9ecac646 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sun, 5 Jul 2020 14:54:24 -0700 Subject: [PATCH 190/821] Removing RemoteScopInstallation and all downstream usages --- .../test/scop/RemoteScopInstallationTest.java | 64 ---- .../structure/test/scop/ScopFactoryTest.java | 6 - .../nbio/structure/align/util/AtomCache.java | 18 -- .../scop/CachedRemoteScopInstallation.java | 219 ------------- .../scop/RemoteScopInstallation.java | 302 ------------------ .../nbio/structure/scop/ScopFactory.java | 21 +- 6 files changed, 5 insertions(+), 625 deletions(-) delete mode 100644 biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/RemoteScopInstallationTest.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/scop/CachedRemoteScopInstallation.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/scop/RemoteScopInstallation.java diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/RemoteScopInstallationTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/RemoteScopInstallationTest.java deleted file mode 100644 index 2abe7d63ae..0000000000 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/RemoteScopInstallationTest.java +++ /dev/null @@ -1,64 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.test.scop; - -import org.biojava.nbio.structure.scop.RemoteScopInstallation; -import org.biojava.nbio.structure.scop.ScopDatabase; -import org.biojava.nbio.structure.scop.ScopFactory; -import org.biojava.nbio.structure.scop.ScopInstallation; -import org.junit.runner.RunWith; -import org.junit.runners.Parameterized; -import org.junit.runners.Parameterized.Parameters; - -import java.util.ArrayList; -import java.util.Collection; - -/** - * Tests {@link ScopInstallation}. - * @author Spencer Bliven - * @since 3.0.6 - */ -@RunWith(Parameterized.class) -public class RemoteScopInstallationTest extends ScopDatabaseTest { - - public RemoteScopInstallationTest(String tag,ScopDatabase scop) { - super(tag,scop); - } - - //@Parameters - @Parameters(name="{0}") - public static Collection availableDatabases() { - ArrayList databases = new ArrayList(); - RemoteScopInstallation scop; - for(String version : new String[] { - ScopFactory.LATEST_VERSION, - ScopFactory.VERSION_1_75A, - ScopFactory.VERSION_1_75B, - ScopFactory.VERSION_1_75, - ScopFactory.VERSION_1_73, - }) { - scop = new RemoteScopInstallation(); - scop.setScopVersion(version); - databases.add(new Object[] {scop.getScopVersion().trim(), scop}); - } - return databases; - } -} diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/ScopFactoryTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/ScopFactoryTest.java index 90efa438fc..dff28a9d79 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/ScopFactoryTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/ScopFactoryTest.java @@ -21,7 +21,6 @@ package org.biojava.nbio.structure.test.scop; import org.biojava.nbio.structure.scop.BerkeleyScopInstallation; -import org.biojava.nbio.structure.scop.RemoteScopInstallation; import org.biojava.nbio.structure.scop.ScopDatabase; import org.biojava.nbio.structure.scop.ScopFactory; import org.junit.Before; @@ -76,11 +75,6 @@ public void testVersions() { scop = ScopFactory.getSCOP(ScopFactory.VERSION_1_75); assertEquals(ScopFactory.VERSION_1_75, scop.getScopVersion()); - ScopFactory.setScopDatabase(ScopFactory.VERSION_1_75, false); - scop = ScopFactory.getSCOP(); - assertEquals(ScopFactory.VERSION_1_75, scop.getScopVersion()); - assertSame( RemoteScopInstallation.class,scop.getClass()); - ScopFactory.setScopDatabase(ScopFactory.VERSION_1_75, true); scop = ScopFactory.getSCOP(); assertEquals(ScopFactory.VERSION_1_75, scop.getScopVersion()); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java index 53b4352696..4b96d5f433 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java @@ -42,7 +42,6 @@ import org.biojava.nbio.core.util.FileDownloadUtils; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; -import org.biojava.nbio.structure.scop.CachedRemoteScopInstallation; import org.biojava.nbio.structure.scop.ScopDatabase; import org.biojava.nbio.structure.scop.ScopDescription; import org.biojava.nbio.structure.scop.ScopDomain; @@ -653,23 +652,6 @@ public Structure getStructureForDomain(String scopId, ScopDatabase scopDatabase) return getStructureForDomain(domain, scopDatabase); } - /** - * Send a signal to the cache that the system is shutting down. Notifies underlying SerializableCache instances to - * flush themselves... - */ - public void notifyShutdown() { - - // todo: use a SCOP implementation that is backed by SerializableCache - ScopDatabase scopInstallation = ScopFactory.getSCOP(); - if (scopInstallation != null) { - if (scopInstallation instanceof CachedRemoteScopInstallation) { - CachedRemoteScopInstallation cacheScop = (CachedRemoteScopInstallation) scopInstallation; - cacheScop.flushCache(); - } - } - - } - /** * set the location at which utility data should be cached. * diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/CachedRemoteScopInstallation.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/CachedRemoteScopInstallation.java deleted file mode 100644 index b78dc5e4f4..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/CachedRemoteScopInstallation.java +++ /dev/null @@ -1,219 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Oct 12, 2011 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.scop; - -import org.biojava.nbio.structure.align.util.URLConnectionTools; -import org.biojava.nbio.structure.domain.SerializableCache; -import org.biojava.nbio.structure.rcsb.ReadUtils; -import org.biojava.nbio.structure.scop.server.ScopDomains; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.io.IOException; -import java.io.InputStream; -import java.net.MalformedURLException; -import java.net.URL; -import java.util.ArrayList; -import java.util.List; - - -/** An extension of the RemoteScopInstallation that caches some of the data locally. - * - * @author Andreas Prlic - * - */ -public class CachedRemoteScopInstallation extends SerializableCache implements ScopDatabase { - - private static final Logger logger = LoggerFactory.getLogger(CachedRemoteScopInstallation.class); - - private static final String CACHE_FILE_NAME = "remotescopinstallation.ser"; - - RemoteScopInstallation proxy ; - - SerializableCache scopDescriptionCache ; - - public CachedRemoteScopInstallation() throws IOException { - this(true); - } - - public CachedRemoteScopInstallation(boolean useCache) throws IOException { - - super(CACHE_FILE_NAME); - - proxy = new RemoteScopInstallation(); - - scopDescriptionCache = new SerializableCache("scopDescriptionCache.ser"); - - if ( ! useCache) { - logger.warn(getClass().getSimpleName() + " disabling cache"); - disableCache(); - scopDescriptionCache.disableCache(); - } else { - - if ( serializedCache.size() < 8000){ - loadRepresentativeDomains(); - } - } - - } - - - /** get the ranges of representative domains from the centralized server - * - */ - private void loadRepresentativeDomains() throws IOException { - - URL u = null; - try { - u = new URL(RemoteScopInstallation.DEFAULT_SERVER + "getRepresentativeScopDomains"); - } catch (MalformedURLException e) { - throw new IOException("URL " + RemoteScopInstallation.DEFAULT_SERVER + "getRepresentativeScopDomains" + " is wrong", e); - } - logger.info("Using " + u + " to download representative domains"); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - ScopDomains results = ScopDomains.fromXML(xml); - - logger.info("got " + results.getScopDomain().size() + " domain ranges for Scop domains from server."); - for (ScopDomain dom : results.getScopDomain()){ - String scopId = dom.getScopId(); - serializedCache.put(scopId, dom); - } - - } - - - - @Override - public List getByCategory(ScopCategory category) { - return proxy.getByCategory(category); - } - - - @Override - public List filterByClassificationId(String query) { - return proxy.filterByClassificationId(query); - } - - - @Override - public List getTree(ScopDomain domain) { - return proxy.getTree(domain); - } - - - @Override - public List filterByDomainName(String query) { - return proxy.filterByDomainName(query); - } - - - @Override - public List filterByDescription(String query) { - return proxy.filterByClassificationId(query); - } - - - @Override - public ScopDescription getScopDescriptionBySunid(int sunid) { - - ScopDescription desc = scopDescriptionCache.get(sunid); - if ( desc != null) - return desc; - - - desc = proxy.getScopDescriptionBySunid(sunid); - if ( desc != null) - scopDescriptionCache.cache(sunid,desc); - return desc; - } - - - @Override - public List getDomainsForPDB(String pdbId) { - - return proxy.getDomainsForPDB(pdbId); - } - - - @Override - public ScopDomain getDomainByScopID(String scopId) { - ScopDomain dom; - - if ( serializedCache != null){ - if ( serializedCache.containsKey(scopId)) { - dom = serializedCache.get(scopId); - if ( dom != null) { - return dom; - } - } - } - - dom = proxy.getDomainByScopID(scopId); - - if ( dom != null) - cache(scopId, dom); - - - return dom; - } - - - @Override - public ScopNode getScopNode(int sunid) { - return proxy.getScopNode(sunid); - } - - - @Override - public String getScopVersion() { - return proxy.getScopVersion(); - } - - @Override - public void setScopVersion(String version) { - proxy.setScopVersion(version); - } - - - @Override - public List getScopDomainsBySunid(Integer sunid) { - return proxy.getScopDomainsBySunid(sunid); - } - - @Override - public void flushCache() { - logger.info("flushing " + getClass().getSimpleName()); - super.flushCache(); - scopDescriptionCache.flushCache(); - } - - @Override - public List getComments(int sunid) { - return new ArrayList(1); - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/RemoteScopInstallation.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/RemoteScopInstallation.java deleted file mode 100644 index 96cda0e3e3..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/RemoteScopInstallation.java +++ /dev/null @@ -1,302 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Aug 30, 2011 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.scop; - -import org.biojava.nbio.structure.align.util.URLConnectionTools; -import org.biojava.nbio.structure.rcsb.ReadUtils; -import org.biojava.nbio.structure.scop.server.ScopDescriptions; -import org.biojava.nbio.structure.scop.server.ScopDomains; -import org.biojava.nbio.structure.scop.server.ScopNodes; -import org.biojava.nbio.structure.scop.server.XMLUtil; - -import java.io.IOException; -import java.io.InputStream; -import java.net.URL; -import java.util.List; - - -/** A class that fetches information about SCOP from a remote data-source. It requires port 80 to open for HTTP connection. - * - * @author Andreas Prlic - * - */ -public class RemoteScopInstallation implements ScopDatabase { - - public static final String DEFAULT_SERVER = "http://source.rcsb.org/jfatcatserver/domains/"; - - String server = DEFAULT_SERVER; - - private String version = null; - - public static void main(String[] args){ - - ScopDatabase scop = new RemoteScopInstallation(); - ScopFactory.setScopDatabase(scop); - - //System.out.println(scop.getByCategory(ScopCategory.Superfamily)); - - System.out.println(scop.getDomainsForPDB("4HHB")); - } - - - public String getServer() { - return server; - } - - public void setServer(String server) { - this.server = server; - } - - @Override - public List getByCategory(ScopCategory category) { - List results = null; - try { - URL u = new URL(server + "getByCategory?category="+category+"&version="+getScopVersion()); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - - if(! xml.trim().isEmpty()) { - ScopDescriptions container = ScopDescriptions.fromXML(xml); - results = container.getScopDescription(); - } - } catch (IOException e) { - throw new RuntimeException("Unable to reach "+ server + "getByCategory?category="+category+"&version="+getScopVersion(), e); - } - return results; - } - - @Override - public List filterByClassificationId(String query) { - List results = null; - try { - URL u = new URL(server + "filterByClassificationId?query="+query+"&version="+getScopVersion()); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - - if(! xml.trim().isEmpty()) { - ScopDescriptions container = ScopDescriptions.fromXML(xml); - results = container.getScopDescription(); - } - } catch (Exception e){ - throw new RuntimeException("Unable to reach "+ server + "filterByClassificationId?query="+query+"&version="+getScopVersion(), e); - } - return results; - } - - @Override - public List getTree(ScopDomain domain) { - List results = null; - try { - URL u = new URL(server + "getTree?scopId="+domain.getScopId()+"&version="+getScopVersion()); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - - if(! xml.trim().isEmpty()) { - ScopNodes container = ScopNodes.fromXML(xml); - results = container.getScopNode(); - } - } catch (Exception e){ - throw new RuntimeException("Unable to reach "+ server + "getTree?scopId="+domain.getScopId()+"&version="+getScopVersion(), e); - } - return results; - } - - @Override - public List filterByDomainName(String query) { - query = query.trim(); - List results = null; - try { - URL u = new URL(server + "filterByDomainName?query="+query+"&version="+getScopVersion()); - //System.out.println(u); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - - if(! xml.trim().isEmpty()) { - ScopDomains container = ScopDomains.fromXML(xml); - results = container.getScopDomain(); - } - } catch (Exception e){ - throw new RuntimeException("Unable to reach "+ server + "filterByDomainName?query="+query+"&version="+getScopVersion(), e); - } - return results; - } - - @Override - public List filterByDescription(String query) { - List results = null; - try { - URL u = new URL(server + "filterByDescription?query="+query+"&version="+getScopVersion()); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - - if(! xml.trim().isEmpty()) { - ScopDescriptions container = ScopDescriptions.fromXML(xml); - results = container.getScopDescription(); - } - } catch (Exception e){ - throw new RuntimeException("Unable to reach "+ server + "filterByDescription?query="+query+"&version="+getScopVersion(), e); - } - return results; - } - - @Override - public ScopDescription getScopDescriptionBySunid(int sunid) { - - ScopDescription desc = null; - - - try { - - URL u = new URL(server + "getScopDescriptionBySunid?sunid="+sunid+"&version="+getScopVersion()); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - - if(! xml.trim().isEmpty()) { - desc = XMLUtil.getScopDescriptionFromXML(xml); - } - - } catch (Exception e){ - throw new RuntimeException("Unable to reach "+ server + "getScopDescriptionBySunid?sunid="+sunid+"&version="+getScopVersion(), e); - } - return desc; - } - - @Override - public List getDomainsForPDB(String pdbId) { - List results = null; - try { - URL u = new URL(server + "getDomainsForPDB?pdbId="+pdbId+"&version="+getScopVersion()); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - - if( !xml.trim().isEmpty()) { - ScopDomains container = ScopDomains.fromXML(xml); - results = container.getScopDomain(); - } - } catch (Exception e){ - throw new RuntimeException("Unable to reach "+ server + "getDomainsForPDB?pdbId="+pdbId+"&version="+getScopVersion(), e); - } - return results; - } - - private ScopDomain requestRemoteDomainByScopID(String scopId) - throws IOException{ - scopId = scopId.trim(); - URL u = new URL(server + "getDomainByScopID?scopId="+scopId+"&version="+getScopVersion()); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - - if( !xml.trim().isEmpty()) { - return XMLUtil.getScopDomainFromXML(xml); - } - return null; - } - - @Override - public ScopDomain getDomainByScopID(String scopId) { - try { - return requestRemoteDomainByScopID(scopId); - } catch (Exception e){ - throw new RuntimeException("Unable to reach "+ server + "getDomainByScopID?scopId="+scopId+"&version="+getScopVersion(), e); - } - } - - @Override - public ScopNode getScopNode(int sunid) { - ScopNode desc = null; - try { - URL u = new URL(server + "getScopNode?sunid="+sunid+"&version="+getScopVersion()); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - - if( !xml.trim().isEmpty()) { - desc = XMLUtil.getScopNodeFromXML(xml); - } - } catch (Exception e){ - throw new RuntimeException("Unable to reach "+ server + "getScopNode?sunid="+sunid+"&version="+getScopVersion(), e); - } - return desc; - } - - @Override - public String getScopVersion() { - // If no version is set, request the default version from the website - if( version == null) { - try { - URL u = new URL(server + "getScopVersion"); - InputStream response = URLConnectionTools.getInputStream(u); - version = ReadUtils.convertStreamToString(response); - if( version != null) - version = version.trim(); - - } catch (Exception e){ - throw new RuntimeException("Unable to reach "+ server + "getScopVersion", e); - } - } - return version; - } - - @Override - public void setScopVersion(String version) { - this.version = version; - } - - @Override - public List getScopDomainsBySunid(Integer sunid) { - List results = null; - try { - URL u = new URL(server + "getScopDomainsBySunid?sunid="+sunid+"&version="+getScopVersion()); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - - if( !xml.trim().isEmpty()) { - ScopDomains container = ScopDomains.fromXML(xml); - results = container.getScopDomain(); - } - } catch (Exception e){ - throw new RuntimeException("Unable to reach "+ server + "getScopDomainsBySunid?sunid="+sunid+"&version="+getScopVersion(), e); - } - return results; - } - - - @Override - public List getComments(int sunid) { - List results = null; - try { - URL u = new URL(server + "getComments?sunid="+sunid+"&version="+getScopVersion()); - InputStream response = URLConnectionTools.getInputStream(u); - String xml = ReadUtils.convertStreamToString(response); - - if( !xml.trim().isEmpty()) { - results = XMLUtil.getCommentsFromXML(xml); - } - } catch (Exception e){ - throw new RuntimeException("Unable to reach "+ server + "getComments?sunid="+sunid+"&version="+getScopVersion(), e); - } - return results; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/ScopFactory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/ScopFactory.java index 15363bd3e7..2a3ab6a8fc 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/ScopFactory.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/ScopFactory.java @@ -31,11 +31,8 @@ /** * Controls the global ScopDatabase being used. * - *

    Defaults to a {@link RemoteScopInstallation}, which is fast for small numbers - * of queries. For many queries, using {@link #getSCOP(String, boolean) getSCOP(version,true)} - * may be faster, since it makes only one network request. - * - *

    Example: Fetch the structure corresponding to an old version of scop + *

    + * Example: Fetch the structure corresponding to an old version of scop * * 

      * ScopInstallation scop = new ScopInstallation();
@@ -45,6 +42,7 @@
  * cache.setFetchFileEvenIfObsolete(true); //fetch older PDBs
  * cache.setStrictSCOP(false); // correct simple errors in domain names
  * Structure s = cache.getStructure("d3hbia_");
+ *
    * @author sbliven * */ @@ -123,7 +121,7 @@ public static ScopDatabase getSCOP(String version){ *

    * The particular implementation returned is influenced by the forceLocalData * parameter. When false, the instance returned will generally be a - * {@link RemoteScopInstallation}, although this may be influenced by + * remote {@link ScopDatabase}, although this may be influenced by * previous calls to this class. When true, the result is guaranteed to * implement {@link LocalScopDatabase} (generally a {@link BerkeleyScopInstallation}). * @@ -147,17 +145,8 @@ public static ScopDatabase getSCOP(String version, boolean forceLocalData){ versionedScopDBs.put(version,berkeley); return berkeley; } - return scop; - } else { - // Use a remote installation - if( scop == null ) { - logger.info("Creating new {}, version {}", RemoteScopInstallation.class.getSimpleName(), version); - scop = new RemoteScopInstallation(); - scop.setScopVersion(version); - versionedScopDBs.put(version,scop); - } - return scop; } + return scop; } From 31939ad292d72261e2f6de906126b90be81a5213 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sun, 5 Jul 2020 15:28:25 -0700 Subject: [PATCH 191/821] Bugfix: ScopFactory wasn't working after last commit --- .../structure/test/scop/ScopFactoryTest.java | 4 +- .../nbio/structure/scop/ScopFactory.java | 62 +++---------------- .../nbio/structure/align/ce/CeCPMainTest.java | 15 +++-- 3 files changed, 23 insertions(+), 58 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/ScopFactoryTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/ScopFactoryTest.java index dff28a9d79..b9bd782526 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/ScopFactoryTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/scop/ScopFactoryTest.java @@ -75,12 +75,12 @@ public void testVersions() { scop = ScopFactory.getSCOP(ScopFactory.VERSION_1_75); assertEquals(ScopFactory.VERSION_1_75, scop.getScopVersion()); - ScopFactory.setScopDatabase(ScopFactory.VERSION_1_75, true); + ScopFactory.setScopDatabase(ScopFactory.VERSION_1_75); scop = ScopFactory.getSCOP(); assertEquals(ScopFactory.VERSION_1_75, scop.getScopVersion()); assertSame( BerkeleyScopInstallation.class,scop.getClass()); - ScopFactory.setScopDatabase(ScopFactory.LATEST_VERSION, true); + ScopFactory.setScopDatabase(ScopFactory.LATEST_VERSION); scop = ScopFactory.getSCOP(); assertEquals(ScopFactory.LATEST_VERSION, scop.getScopVersion()); assertSame( BerkeleyScopInstallation.class,scop.getClass()); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/ScopFactory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/ScopFactory.java index 2a3ab6a8fc..69b3b61eb6 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/ScopFactory.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/ScopFactory.java @@ -81,7 +81,7 @@ public class ScopFactory { public static final String LATEST_VERSION = VERSION_2_0_7; // Hold one instance for each version - private static Map versionedScopDBs = new HashMap(); + private static Map versionedScopDBs = new HashMap<>(); private static String defaultVersion = LATEST_VERSION; /** @@ -92,64 +92,33 @@ public static ScopDatabase getSCOP(){ return getSCOP(defaultVersion); } - /** - * - * @param forceLocalData Whether to use a local installation or a remote installation - * @return - * @see #getSCOP(String, boolean) - */ - public static ScopDatabase getSCOP(boolean forceLocalData) { - return getSCOP(defaultVersion, forceLocalData); - } - - /** - * requests a particular version of SCOP. - * - * Where possible, this will be the current default instance. - * Otherwise a new instance will be created. - * @param version - * @return - */ - public static ScopDatabase getSCOP(String version){ - // Default to a remote installation - return getSCOP(version,false); - } - /** * Gets an instance of the specified scop version. * *

    - * The particular implementation returned is influenced by the forceLocalData - * parameter. When false, the instance returned will generally be a - * remote {@link ScopDatabase}, although this may be influenced by - * previous calls to this class. When true, the result is guaranteed to + * The particular implementation returned is guaranteed to * implement {@link LocalScopDatabase} (generally a {@link BerkeleyScopInstallation}). * - *

    - * Note that * @param version A version number, such as {@link #VERSION_1_75A} - * @param forceLocalData Whether to use a local installation or a remote installation * @return an */ - public static ScopDatabase getSCOP(String version, boolean forceLocalData){ + public static ScopDatabase getSCOP(String version){ if( version == null ) { version = defaultVersion; } + ScopDatabase scop = versionedScopDBs.get(version); - if ( forceLocalData) { + if (scop == null) { // Use a local installation - if( scop == null || !(scop instanceof LocalScopDatabase) ) { - logger.info("Creating new {}, version {}", BerkeleyScopInstallation.class.getSimpleName(), version); - BerkeleyScopInstallation berkeley = new BerkeleyScopInstallation(); - berkeley.setScopVersion(version); - versionedScopDBs.put(version,berkeley); - return berkeley; - } + logger.info("Creating new {}, version {}", BerkeleyScopInstallation.class.getSimpleName(), version); + BerkeleyScopInstallation berkeley = new BerkeleyScopInstallation(); + berkeley.setScopVersion(version); + versionedScopDBs.put(version, berkeley); + return berkeley; } return scop; } - /** * Set the default scop version * @param version A version number, such as {@link #VERSION_1_75A} @@ -159,17 +128,6 @@ public static void setScopDatabase(String version) { defaultVersion = version; } - /** - * Set the default scop version - * @param version A version number, such as {@link #VERSION_1_75A} - * @param forceLocalData Whether to use a local installation or a remote installation - */ - public static void setScopDatabase(String version, boolean forceLocalData) { - logger.debug("ScopFactory: Setting ScopDatabase to version: {}, forced local: {}", version, forceLocalData); - getSCOP(version,forceLocalData); - defaultVersion = version; - } - /** * Set the default scop version and instance * @param scop diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java index 20bc3901fe..319cf25f10 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java @@ -407,24 +407,31 @@ private Atom[] makeDummyCA(int len) throws PDBParseException { @Test public void testCECP1() throws IOException, StructureException{ - //String name1 = "PDP:3A2KAc"; String pdb1 = "3A2K"; - String name2 = "d1wy5a2"; + //String name1 = "PDP:3A2KAc"; // A : 234-333 + String pdb2 = "1WY5"; + //String name2 = "d1wy5a2"; // A : 217-311 AtomCache cache = new AtomCache(); // since BioJava 6.0.0, there's no PDP provider. The below corresponds to domain "PDP:3A2KAc" List ranges = new ArrayList<>(); - // 234-333 ranges.add(new ResidueRange("A", new ResidueNumber("A",234, null), new ResidueNumber("A", 333, null))); SubstructureIdentifier ssi = new SubstructureIdentifier(pdb1, ranges); Structure structure1 = cache.getStructure(pdb1); ssi.reduce(structure1); + // since BioJava 6.0.0, there's no RemoteSCOP provider. The below corresponds to domain "d1wy5a2" + ranges = new ArrayList<>(); + ranges.add(new ResidueRange("A", new ResidueNumber("A",217, null), new ResidueNumber("A", 311, null))); + ssi = new SubstructureIdentifier(pdb2, ranges); + Structure structure2 = cache.getStructure(pdb2); + ssi.reduce(structure2); + CeCPMain algorithm = new CeCPMain(); Atom[] ca1 = StructureTools.getAtomCAArray(structure1); - Atom[] ca2 = cache.getAtoms(name2); + Atom[] ca2 = StructureTools.getAtomCAArray(structure2); AFPChain afpChain = algorithm.align(ca1, ca2); CECalculator calculator = algorithm.getCECalculator(); From 2bc09aa6c25819a5c75bf0c02863d3e4ede1c5f7 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sun, 5 Jul 2020 22:06:32 -0700 Subject: [PATCH 192/821] Removing server-related xml i/o code --- CHANGELOG.md | 1 + .../align/xml/HasResultXMLConverter.java | 142 ------- .../xml/PositionInQueueXMLConverter.java | 136 ------- .../domain/AssignmentXMLSerializer.java | 115 ------ .../scop/server/ListStringWrapper.java | 116 ------ .../scop/server/ScopDescriptions.java | 113 ------ .../structure/scop/server/ScopDomains.java | 116 ------ .../nbio/structure/scop/server/ScopNodes.java | 114 ------ .../scop/server/TreeSetStringWrapper.java | 115 ------ .../nbio/structure/scop/server/XMLUtil.java | 383 ------------------ 10 files changed, 1 insertion(+), 1350 deletions(-) delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/align/xml/HasResultXMLConverter.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/align/xml/PositionInQueueXMLConverter.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/domain/AssignmentXMLSerializer.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ListStringWrapper.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopDescriptions.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopDomains.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopNodes.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/TreeSetStringWrapper.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/XMLUtil.java diff --git a/CHANGELOG.md b/CHANGELOG.md index 6f3acd48f0..2218b88ed9 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -8,6 +8,7 @@ BioJava 6.0.0 (future release) * JFatCatClient and all code depending on it * PDP domain providers (depended on JFatCatClient) * Support for retrieving structure data with prefix "PDP:" (AtomCache, StructureIO) +* RemoteScopInstallation consuming data provided by source.rcsb.org BioJava 5.4.0 ============= diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/xml/HasResultXMLConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/xml/HasResultXMLConverter.java deleted file mode 100644 index 023a891d2d..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/xml/HasResultXMLConverter.java +++ /dev/null @@ -1,142 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on May 10, 2010 - * Author: Andreas Prlic - * - */ - -package org.biojava.nbio.structure.align.xml; - -import org.biojava.nbio.core.util.PrettyXMLWriter; -import org.w3c.dom.Document; -import org.w3c.dom.NamedNodeMap; -import org.w3c.dom.Node; -import org.w3c.dom.NodeList; -import org.xml.sax.InputSource; -import org.xml.sax.SAXException; -import org.xml.sax.SAXParseException; - -import javax.xml.parsers.DocumentBuilder; -import javax.xml.parsers.DocumentBuilderFactory; -import java.io.IOException; -import java.io.PrintWriter; -import java.io.StringReader; -import java.io.StringWriter; - -public class HasResultXMLConverter -{ - - - - - /** return flag if the server has a result - * - * @param hasResult - * @return flag if there is a result - */ - public String toXML(boolean hasResult) throws IOException{ - StringWriter swriter = new StringWriter(); - - PrintWriter writer = new PrintWriter(swriter); - PrettyXMLWriter xml = new PrettyXMLWriter(writer); - - xml.openTag("alignment"); - xml.attribute("hasResult", String.valueOf(hasResult)); - xml.closeTag("alignment"); - xml.close(); - return swriter.toString(); - } - - public boolean fromXML(String xml) { - - boolean hasResult = false; - - try - { - //Convert string to XML document - DocumentBuilderFactory factory = DocumentBuilderFactory.newInstance(); - DocumentBuilder db = factory.newDocumentBuilder(); - InputSource inStream = new InputSource(); - inStream.setCharacterStream(new StringReader(xml)); - Document doc = db.parse(inStream); - - // normalize text representation - doc.getDocumentElement().normalize(); - - - //Element rootElement = doc.getDocumentElement(); - - NodeList listOfAlignments = doc.getElementsByTagName("alignment"); - //int numArrays = listOfAlignments.getLength(); - //System.out.println("got " + numArrays + " alignment results."); - // go over the blocks - - - for(int afpPos=0; afpPos assignments; - - static JAXBContext jaxbContext; - static { - try { - jaxbContext= JAXBContext.newInstance(AssignmentXMLSerializer.class); - } catch (Exception e){ - e.printStackTrace(); - } - } - - public AssignmentXMLSerializer(){ - assignments = new HashMap(); - - } - - public void setAssignments(Map assignments){ - - this.assignments = assignments; - - } - - public Map getAssignments(){ - return assignments; - } - - public String toXML(){ - - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContext.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( this, ps); - - - } catch (Exception e){ - e.printStackTrace(); - } - - return baos.toString(); - - } - - public static AssignmentXMLSerializer fromXML(String xml){ - - AssignmentXMLSerializer job = null; - - try { - - Unmarshaller un = jaxbContext.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (AssignmentXMLSerializer) un.unmarshal(bais); - - } catch (Exception e){ - e.printStackTrace(); - } - - return job; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ListStringWrapper.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ListStringWrapper.java deleted file mode 100644 index 574052b86b..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ListStringWrapper.java +++ /dev/null @@ -1,116 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Aug 31, 2011 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.scop.server; - -import javax.xml.bind.JAXBContext; -import javax.xml.bind.Marshaller; -import javax.xml.bind.Unmarshaller; -import javax.xml.bind.annotation.XmlAccessType; -import javax.xml.bind.annotation.XmlAccessorType; -import javax.xml.bind.annotation.XmlRootElement; -import java.io.ByteArrayInputStream; -import java.io.ByteArrayOutputStream; -import java.io.PrintStream; -import java.io.Serializable; -import java.util.ArrayList; -import java.util.List; - - - -@XmlRootElement(name = "TreeSetStringWrapper", namespace ="http://source.rcsb.org") -@XmlAccessorType(XmlAccessType.PUBLIC_MEMBER) -public class ListStringWrapper implements Serializable{ - - - /** - * - */ - private static final long serialVersionUID = 4193799052494327416L; - List data; - - static JAXBContext jaxbContext; - static { - try { - jaxbContext= JAXBContext.newInstance(ListStringWrapper.class); - } catch (Exception e){ - throw new RuntimeException("Could not initialize JAXB context for " + ListStringWrapper.class, e); - } - } - - public ListStringWrapper(){ - data = new ArrayList(); - } - - public List getData() { - return data; - } - - public void setData(List data) { - this.data = data; - } - public String toXML(){ - - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContext.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( this, ps); - - - } catch (Exception e){ - throw new RuntimeException("Could not convert " + getClass() + " to XML", e); - } - - return baos.toString(); - - } - - public static ListStringWrapper fromXML(String xml){ - - ListStringWrapper job = null; - - try { - - Unmarshaller un = jaxbContext.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (ListStringWrapper) un.unmarshal(bais); - - } catch (Exception e){ - throw new RuntimeException("Could not parse " + ListStringWrapper.class + " from XML", e); - } - - return job; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopDescriptions.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopDescriptions.java deleted file mode 100644 index 8d618f710e..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopDescriptions.java +++ /dev/null @@ -1,113 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Aug 30, 2011 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.scop.server; - -import org.biojava.nbio.structure.scop.ScopDescription; - -import javax.xml.bind.JAXBContext; -import javax.xml.bind.Marshaller; -import javax.xml.bind.Unmarshaller; -import javax.xml.bind.annotation.XmlAccessType; -import javax.xml.bind.annotation.XmlAccessorType; -import javax.xml.bind.annotation.XmlRootElement; -import java.io.ByteArrayInputStream; -import java.io.ByteArrayOutputStream; -import java.io.PrintStream; -import java.io.Serializable; -import java.util.List; - - - -@XmlRootElement(name = "ScopDescriptions", namespace ="http://source.rcsb.org") -@XmlAccessorType(XmlAccessType.PUBLIC_MEMBER) -public class ScopDescriptions implements Serializable{ - - - private static final long serialVersionUID = 4924350548761431852L; - - static JAXBContext jaxbContext; - static { - try { - jaxbContext= JAXBContext.newInstance(ScopDescriptions.class); - } catch (Exception e){ - throw new RuntimeException("Could not initialize JAXB context for " + ScopDescriptions.class, e); - } - } - - - List scopDescriptions; - - public List getScopDescription() { - return scopDescriptions; - } - - public void setScopDescription(List descriptions) { - this.scopDescriptions = descriptions; - } - - public String toXML(){ - - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContext.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( this, ps); - - - } catch (Exception e){ - throw new RuntimeException("Could not convert " + getClass() + " to XML", e); - } - - return baos.toString(); - - } - - public static ScopDescriptions fromXML(String xml){ - - ScopDescriptions job = null; - - try { - - Unmarshaller un = jaxbContext.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (ScopDescriptions) un.unmarshal(bais); - - } catch (Exception e){ - throw new RuntimeException("Could not parse " + ScopDescriptions.class + " from XML", e); - } - - return job; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopDomains.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopDomains.java deleted file mode 100644 index c9e8f8422b..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopDomains.java +++ /dev/null @@ -1,116 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Aug 30, 2011 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.scop.server; - -import org.biojava.nbio.structure.scop.ScopDomain; - -import javax.xml.bind.JAXBContext; -import javax.xml.bind.Marshaller; -import javax.xml.bind.Unmarshaller; -import javax.xml.bind.annotation.XmlAccessType; -import javax.xml.bind.annotation.XmlAccessorType; -import javax.xml.bind.annotation.XmlRootElement; -import java.io.ByteArrayInputStream; -import java.io.ByteArrayOutputStream; -import java.io.PrintStream; -import java.io.Serializable; -import java.util.List; - -@XmlRootElement(name = "ScopDomains", namespace ="http://source.rcsb.org") -@XmlAccessorType(XmlAccessType.PUBLIC_MEMBER) -public class ScopDomains implements Serializable{ - - /** - * - */ - private static final long serialVersionUID = 7693404355005856746L; - - List domains ; - - static JAXBContext jaxbContext; - static { - try { - jaxbContext= JAXBContext.newInstance(ScopDomains.class); - } catch (Exception e){ - throw new RuntimeException("Could not initialize JAXB context for " + ScopDomains.class, e); - } - } - - - public void setScopDomain(List domains) { - this.domains = domains; - - } - - public List getScopDomain() { - return domains; - } - - public String toXML(){ - - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContext.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( this, ps); - - - } catch (Exception e){ - throw new RuntimeException("Could not convert " + getClass() + " to XML", e); - } - - return baos.toString(); - - } - - public static ScopDomains fromXML(String xml){ - - ScopDomains job = null; - - try { - - Unmarshaller un = jaxbContext.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (ScopDomains) un.unmarshal(bais); - - } catch (Exception e){ - throw new RuntimeException("Could not parse " + ScopDomains.class + " from XML", e); - } - - return job; - } - - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopNodes.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopNodes.java deleted file mode 100644 index 70e9965a5b..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/ScopNodes.java +++ /dev/null @@ -1,114 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Aug 30, 2011 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.scop.server; - -import org.biojava.nbio.structure.scop.ScopNode; - -import javax.xml.bind.JAXBContext; -import javax.xml.bind.Marshaller; -import javax.xml.bind.Unmarshaller; -import javax.xml.bind.annotation.XmlAccessType; -import javax.xml.bind.annotation.XmlAccessorType; -import javax.xml.bind.annotation.XmlRootElement; -import java.io.ByteArrayInputStream; -import java.io.ByteArrayOutputStream; -import java.io.PrintStream; -import java.io.Serializable; -import java.util.List; - - -@XmlRootElement(name = "ScopNodes", namespace ="http://source.rcsb.org") -@XmlAccessorType(XmlAccessType.PUBLIC_MEMBER) -public class ScopNodes implements Serializable { - - /** - * - */ - private static final long serialVersionUID = 5327454882500340305L; - - List scopNodes ; - - static JAXBContext jaxbContext; - static { - try { - jaxbContext= JAXBContext.newInstance(ScopNodes.class); - } catch (Exception e){ - throw new RuntimeException("Could not initialize JAXB context for " + ScopNodes.class, e); - } - } - - public List getScopNode() { - return scopNodes; - } - - public void setScopNode(List scopNodes) { - this.scopNodes = scopNodes; - } - - public String toXML(){ - - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContext.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( this, ps); - - - } catch (Exception e){ - throw new RuntimeException("Could not convert " + getClass() + " to XML", e); - } - - return baos.toString(); - - } - - public static ScopNodes fromXML(String xml){ - - ScopNodes job = null; - - try { - - Unmarshaller un = jaxbContext.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (ScopNodes) un.unmarshal(bais); - - } catch (Exception e){ - throw new RuntimeException("Could not parse " + ScopNodes.class + " from XML", e); - } - - return job; - } - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/TreeSetStringWrapper.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/TreeSetStringWrapper.java deleted file mode 100644 index 004b81c069..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/TreeSetStringWrapper.java +++ /dev/null @@ -1,115 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Aug 31, 2011 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.scop.server; - -import javax.xml.bind.JAXBContext; -import javax.xml.bind.Marshaller; -import javax.xml.bind.Unmarshaller; -import javax.xml.bind.annotation.XmlAccessType; -import javax.xml.bind.annotation.XmlAccessorType; -import javax.xml.bind.annotation.XmlRootElement; -import java.io.ByteArrayInputStream; -import java.io.ByteArrayOutputStream; -import java.io.PrintStream; -import java.io.Serializable; -import java.util.TreeSet; - - - -@XmlRootElement(name = "TreeSetStringWrapper", namespace ="http://source.rcsb.org") -@XmlAccessorType(XmlAccessType.PUBLIC_MEMBER) -public class TreeSetStringWrapper implements Serializable{ - - - /** - * - */ - private static final long serialVersionUID = 4193799052494327416L; - TreeSet data; - - static JAXBContext jaxbContext; - static { - try { - jaxbContext= JAXBContext.newInstance(TreeSetStringWrapper.class); - } catch (Exception e){ - throw new RuntimeException("Could not initialize JAXB context for " + TreeSetStringWrapper.class, e); - } - } - - public TreeSetStringWrapper(){ - data = new TreeSet(); - } - - public TreeSet getData() { - return data; - } - - public void setData(TreeSet data) { - this.data = data; - } - public String toXML(){ - - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContext.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( this, ps); - - - } catch (Exception e){ - throw new RuntimeException("Could not convert " + getClass() + " to XML", e); - } - - return baos.toString(); - - } - - public static TreeSetStringWrapper fromXML(String xml){ - - TreeSetStringWrapper job = null; - - try { - - Unmarshaller un = jaxbContext.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (TreeSetStringWrapper) un.unmarshal(bais); - - } catch (Exception e){ - throw new RuntimeException("Could not parse " + TreeSetStringWrapper.class + " from XML", e); - } - - return job; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/XMLUtil.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/XMLUtil.java deleted file mode 100644 index 8061e6ef6e..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/scop/server/XMLUtil.java +++ /dev/null @@ -1,383 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Aug 30, 2011 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.scop.server; - -import org.biojava.nbio.structure.domain.pdp.Domain; -import org.biojava.nbio.structure.scop.ScopDescription; -import org.biojava.nbio.structure.scop.ScopDomain; -import org.biojava.nbio.structure.scop.ScopNode; - -import javax.xml.bind.JAXBContext; -import javax.xml.bind.JAXBException; -import javax.xml.bind.Marshaller; -import javax.xml.bind.Unmarshaller; -import java.io.ByteArrayInputStream; -import java.io.ByteArrayOutputStream; -import java.io.PrintStream; -import java.util.List; -import java.util.SortedSet; -import java.util.TreeSet; - - -/** Utility classes for the XML serialization and de-serialization of SCOP. - * - * @author Andreas Prlic - * @since 3.0.2 - * - */ -public class XMLUtil { - - static JAXBContext jaxbContextScopDescription; - static { - try { - jaxbContextScopDescription= JAXBContext.newInstance(ScopDescription.class); - } catch (JAXBException e){ - throw new RuntimeException("Could not initialize JAXB context", e); - } - } - - static JAXBContext jaxbContextScopDomain; - static { - try { - jaxbContextScopDomain= JAXBContext.newInstance(ScopDomain.class); - } catch (JAXBException e){ - throw new RuntimeException("Could not initialize JAXB context", e); - } - } - - static JAXBContext jaxbContextScopNode; - static { - try { - jaxbContextScopNode= JAXBContext.newInstance(ScopNode.class); - } catch (JAXBException e){ - throw new RuntimeException("Could not initialize JAXB context", e); - } - } - - static JAXBContext jaxbContextDomains; - static { - try { - jaxbContextDomains= JAXBContext.newInstance(TreeSet.class); - } catch (JAXBException e){ - throw new RuntimeException("Could not initialize JAXB context", e); - } - } - - static JAXBContext jaxbContextStringSortedSet; - static { - try { - jaxbContextStringSortedSet= JAXBContext.newInstance(TreeSetStringWrapper.class); - } catch (JAXBException e){ - throw new RuntimeException("Could not initialize JAXB context", e); - } - } - - static JAXBContext jaxbContextComments; - static { - try { - jaxbContextComments = JAXBContext.newInstance(ListStringWrapper.class); - } catch( JAXBException e){ - throw new RuntimeException("Could not initialize JAXB context", e); - } - } - - - public static String getScopDescriptionXML(ScopDescription desc){ - - return converScopDescription(desc); - - } - - public static ScopDescription getScopDescriptionFromXML(String xml){ - - ScopDescription job = null; - - try { - - Unmarshaller un = jaxbContextScopDescription.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (ScopDescription) un.unmarshal(bais); - - } catch (JAXBException e){ - throw new RuntimeException("Could not parse from XML", e); - } - - return job; - } - - private static String converScopDescription(ScopDescription desc) { - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContextScopDescription.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( desc, ps); - - - } catch (JAXBException e){ - throw new RuntimeException("Could not parse from XML", e); - } - - return baos.toString(); - } - - public static String getScopDescriptionsXML(List descriptions){ - - ScopDescriptions container = new ScopDescriptions(); - container.setScopDescription(descriptions); - - return container.toXML(); - - } - - - - public static String getCommentsXML(List comments ){ - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContextComments.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - ListStringWrapper wrapper = new ListStringWrapper(); - wrapper.setData(comments); - - m.marshal( wrapper, ps); - - - } catch (JAXBException e){ - throw new RuntimeException("Could not parse from XML", e); - } - - return baos.toString(); - } - public static List getCommentsFromXML(String xml){ - - List comments = null; - - try { - - Unmarshaller un = jaxbContextComments.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - ListStringWrapper wrapper = (ListStringWrapper) un.unmarshal(bais); - comments = wrapper.getData(); - - } catch (JAXBException e){ - throw new RuntimeException("Could not parse from XML", e); - } - - return comments; - } - - - public static String getScopNodeXML(ScopNode scopNode){ - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContextScopNode.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( scopNode, ps); - - - } catch (JAXBException e){ - throw new RuntimeException("Could not parse from XML", e); - } - - return baos.toString(); - } - - public static ScopNode getScopNodeFromXML(String xml){ - ScopNode job = null; - - try { - - Unmarshaller un = jaxbContextScopNode.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (ScopNode) un.unmarshal(bais); - - } catch (JAXBException e){ - throw new RuntimeException("Could not parse from XML", e); - } - - return job; - } - - public static String getScopNodesXML(List nodes) { - ScopNodes container = new ScopNodes(); - container.setScopNode(nodes); - - return container.toXML(); - } - - public static String getScopDomainXML(ScopDomain domain){ - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContextScopDomain.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( domain, ps); - - - } catch (JAXBException e){ - throw new RuntimeException("Could not serialize to XML", e); - } - - return baos.toString(); - } - - public static ScopDomain getScopDomainFromXML(String xml){ - ScopDomain job = null; - - try { - - Unmarshaller un = jaxbContextScopDomain.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (ScopDomain) un.unmarshal(bais); - - } catch (JAXBException e){ - throw new RuntimeException("Could not serialize to XML", e); - } - - return job; - } - - public static String getScopDomainsXML(List domains) { - ScopDomains container = new ScopDomains(); - container.setScopDomain(domains); - - return container.toXML(); - } - - - public static String getDomainsXML(SortedSet domains){ - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContextDomains.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( domains, ps); - - - } catch (JAXBException e){ - throw new RuntimeException("Could not serialize to XML", e); - } - - return baos.toString(); - } - @SuppressWarnings("unchecked") - public static SortedSet getDomainsFromXML(String xml) { - - SortedSet domains = null; - try { - - Unmarshaller un = jaxbContextDomains.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - domains = (SortedSet) un.unmarshal(bais); - - } catch (JAXBException e){ - throw new RuntimeException("Could not serialize to XML", e); - } - - return domains; - } - - public static String getDomainRangesXML(SortedSet domainRanges){ - if ( ! (domainRanges instanceof TreeSet)) { - throw new IllegalArgumentException("SortedSet needs to be a TreeSet!"); - } - TreeSet data = (TreeSet)domainRanges; - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContextStringSortedSet.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - TreeSetStringWrapper wrapper = new TreeSetStringWrapper(); - wrapper.setData(data); - m.marshal( wrapper, ps); - - - } catch (JAXBException e){ - throw new RuntimeException("Could not serialize to XML", e); - } - - return baos.toString(); - } - - public static SortedSet getDomainRangesFromXML(String xml){ - SortedSet domains = null; - try { - - Unmarshaller un = jaxbContextStringSortedSet.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - TreeSetStringWrapper wrapper = (TreeSetStringWrapper) un.unmarshal(bais); - domains = wrapper.getData(); - - } catch (JAXBException e){ - throw new RuntimeException("Could not serialize to XML", e); - } - - return domains; - } -} From c5f42b62f647da55a00b93ddec929855dcfbefd0 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 7 Jul 2020 10:24:50 -0700 Subject: [PATCH 193/821] bump ciftools-java version to latest Java 8 release --- biojava-structure/pom.xml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index fc4584ce37..fe0800fbda 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -21,7 +21,7 @@ org.rcsb ciftools-java - 0.7.1 + 0.10.1 org.rcsb From faae1a101f8f74589357c0eb7cefc170c0ec7ae7 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 7 Jul 2020 12:08:38 -0700 Subject: [PATCH 194/821] rewire ciftools-java --- .../structure/io/cif/CifFileConsumer.java | 94 +++++++++---------- .../structure/io/cif/CifFileConsumerImpl.java | 92 +++++++++--------- .../structure/io/cif/CifFileConverter.java | 7 +- .../structure/io/cif/CifFileSupplierImpl.java | 62 ++++++------ .../io/cif/CifFileConsumerImplTest.java | 9 +- 5 files changed, 134 insertions(+), 130 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java index 0a0c0e3fb5..d15c9cc140 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java @@ -1,50 +1,50 @@ package org.biojava.nbio.structure.io.cif; -import org.rcsb.cif.model.generated.AtomSite; -import org.rcsb.cif.model.generated.AtomSites; -import org.rcsb.cif.model.generated.AuditAuthor; -import org.rcsb.cif.model.generated.Cell; -import org.rcsb.cif.model.generated.ChemComp; -import org.rcsb.cif.model.generated.ChemCompBond; -import org.rcsb.cif.model.generated.DatabasePDBRemark; -import org.rcsb.cif.model.generated.DatabasePDBRev; -import org.rcsb.cif.model.generated.DatabasePDBRevRecord; -import org.rcsb.cif.model.generated.Entity; -import org.rcsb.cif.model.generated.EntityPoly; -import org.rcsb.cif.model.generated.EntityPolySeq; -import org.rcsb.cif.model.generated.EntitySrcGen; -import org.rcsb.cif.model.generated.EntitySrcNat; -import org.rcsb.cif.model.generated.Exptl; -import org.rcsb.cif.model.generated.PdbxAuditRevisionHistory; -import org.rcsb.cif.model.generated.PdbxChemCompIdentifier; -import org.rcsb.cif.model.generated.PdbxDatabaseStatus; -import org.rcsb.cif.model.generated.PdbxEntityDescriptor; -import org.rcsb.cif.model.generated.PdbxEntitySrcSyn; -import org.rcsb.cif.model.generated.PdbxMolecule; -import org.rcsb.cif.model.generated.PdbxMoleculeFeatures; -import org.rcsb.cif.model.generated.PdbxNonpolyScheme; -import org.rcsb.cif.model.generated.PdbxReferenceEntityLink; -import org.rcsb.cif.model.generated.PdbxReferenceEntityList; -import org.rcsb.cif.model.generated.PdbxReferenceEntityPolyLink; -import org.rcsb.cif.model.generated.PdbxStructAssembly; -import org.rcsb.cif.model.generated.PdbxStructAssemblyGen; -import org.rcsb.cif.model.generated.PdbxStructModResidue; -import org.rcsb.cif.model.generated.PdbxStructOperList; -import org.rcsb.cif.model.generated.Refine; -import org.rcsb.cif.model.generated.Struct; -import org.rcsb.cif.model.generated.StructAsym; -import org.rcsb.cif.model.generated.StructConf; -import org.rcsb.cif.model.generated.StructConn; -import org.rcsb.cif.model.generated.StructConnType; -import org.rcsb.cif.model.generated.StructKeywords; -import org.rcsb.cif.model.generated.StructNcsOper; -import org.rcsb.cif.model.generated.StructRef; -import org.rcsb.cif.model.generated.StructRefSeq; -import org.rcsb.cif.model.generated.StructRefSeqDif; -import org.rcsb.cif.model.generated.StructSheetRange; -import org.rcsb.cif.model.generated.StructSite; -import org.rcsb.cif.model.generated.StructSiteGen; -import org.rcsb.cif.model.generated.Symmetry; +import org.rcsb.cif.schema.mm.AtomSite; +import org.rcsb.cif.schema.mm.AtomSites; +import org.rcsb.cif.schema.mm.AuditAuthor; +import org.rcsb.cif.schema.mm.Cell; +import org.rcsb.cif.schema.mm.ChemComp; +import org.rcsb.cif.schema.mm.ChemCompBond; +import org.rcsb.cif.schema.mm.DatabasePDBRemark; +import org.rcsb.cif.schema.mm.DatabasePDBRev; +import org.rcsb.cif.schema.mm.DatabasePDBRevRecord; +import org.rcsb.cif.schema.mm.Entity; +import org.rcsb.cif.schema.mm.EntityPoly; +import org.rcsb.cif.schema.mm.EntityPolySeq; +import org.rcsb.cif.schema.mm.EntitySrcGen; +import org.rcsb.cif.schema.mm.EntitySrcNat; +import org.rcsb.cif.schema.mm.Exptl; +import org.rcsb.cif.schema.mm.PdbxAuditRevisionHistory; +import org.rcsb.cif.schema.mm.PdbxChemCompIdentifier; +import org.rcsb.cif.schema.mm.PdbxDatabaseStatus; +import org.rcsb.cif.schema.mm.PdbxEntityBranchDescriptor; +import org.rcsb.cif.schema.mm.PdbxEntitySrcSyn; +import org.rcsb.cif.schema.mm.PdbxMolecule; +import org.rcsb.cif.schema.mm.PdbxMoleculeFeatures; +import org.rcsb.cif.schema.mm.PdbxNonpolyScheme; +import org.rcsb.cif.schema.mm.PdbxReferenceEntityLink; +import org.rcsb.cif.schema.mm.PdbxReferenceEntityList; +import org.rcsb.cif.schema.mm.PdbxReferenceEntityPolyLink; +import org.rcsb.cif.schema.mm.PdbxStructAssembly; +import org.rcsb.cif.schema.mm.PdbxStructAssemblyGen; +import org.rcsb.cif.schema.mm.PdbxStructModResidue; +import org.rcsb.cif.schema.mm.PdbxStructOperList; +import org.rcsb.cif.schema.mm.Refine; +import org.rcsb.cif.schema.mm.Struct; +import org.rcsb.cif.schema.mm.StructAsym; +import org.rcsb.cif.schema.mm.StructConf; +import org.rcsb.cif.schema.mm.StructConn; +import org.rcsb.cif.schema.mm.StructConnType; +import org.rcsb.cif.schema.mm.StructKeywords; +import org.rcsb.cif.schema.mm.StructNcsOper; +import org.rcsb.cif.schema.mm.StructRef; +import org.rcsb.cif.schema.mm.StructRefSeq; +import org.rcsb.cif.schema.mm.StructRefSeqDif; +import org.rcsb.cif.schema.mm.StructSheetRange; +import org.rcsb.cif.schema.mm.StructSite; +import org.rcsb.cif.schema.mm.StructSiteGen; +import org.rcsb.cif.schema.mm.Symmetry; /** * Defines a rather generic interface which allows to populate some data structure with data parsed from a CIF file. @@ -175,9 +175,9 @@ interface CifFileConsumer { /** * Consume a particular Cif category. - * @param pdbxEntityDescriptor data + * @param pdbxEntityBranchDescriptor data */ - void consumePdbxEntityDescriptor(PdbxEntityDescriptor pdbxEntityDescriptor); + void consumePdbxEntityBranchDescriptor(PdbxEntityBranchDescriptor pdbxEntityBranchDescriptor); /** * Consume a particular Cif category. diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 66e2b6be04..c6d232d52a 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -40,51 +40,51 @@ import org.rcsb.cif.model.FloatColumn; import org.rcsb.cif.model.IntColumn; import org.rcsb.cif.model.StrColumn; -import org.rcsb.cif.model.generated.AtomSite; -import org.rcsb.cif.model.generated.AtomSites; -import org.rcsb.cif.model.generated.AuditAuthor; -import org.rcsb.cif.model.generated.Cell; -import org.rcsb.cif.model.generated.ChemComp; -import org.rcsb.cif.model.generated.ChemCompBond; -import org.rcsb.cif.model.generated.DatabasePDBRemark; -import org.rcsb.cif.model.generated.DatabasePDBRev; -import org.rcsb.cif.model.generated.DatabasePDBRevRecord; -import org.rcsb.cif.model.generated.Entity; -import org.rcsb.cif.model.generated.EntityPoly; -import org.rcsb.cif.model.generated.EntityPolySeq; -import org.rcsb.cif.model.generated.EntitySrcGen; -import org.rcsb.cif.model.generated.EntitySrcNat; -import org.rcsb.cif.model.generated.Exptl; -import org.rcsb.cif.model.generated.PdbxAuditRevisionHistory; -import org.rcsb.cif.model.generated.PdbxChemCompIdentifier; -import org.rcsb.cif.model.generated.PdbxDatabaseStatus; -import org.rcsb.cif.model.generated.PdbxEntityDescriptor; -import org.rcsb.cif.model.generated.PdbxEntitySrcSyn; -import org.rcsb.cif.model.generated.PdbxMolecule; -import org.rcsb.cif.model.generated.PdbxMoleculeFeatures; -import org.rcsb.cif.model.generated.PdbxNonpolyScheme; -import org.rcsb.cif.model.generated.PdbxReferenceEntityLink; -import org.rcsb.cif.model.generated.PdbxReferenceEntityList; -import org.rcsb.cif.model.generated.PdbxReferenceEntityPolyLink; -import org.rcsb.cif.model.generated.PdbxStructAssembly; -import org.rcsb.cif.model.generated.PdbxStructAssemblyGen; -import org.rcsb.cif.model.generated.PdbxStructModResidue; -import org.rcsb.cif.model.generated.PdbxStructOperList; -import org.rcsb.cif.model.generated.Refine; -import org.rcsb.cif.model.generated.Struct; -import org.rcsb.cif.model.generated.StructAsym; -import org.rcsb.cif.model.generated.StructConf; -import org.rcsb.cif.model.generated.StructConn; -import org.rcsb.cif.model.generated.StructConnType; -import org.rcsb.cif.model.generated.StructKeywords; -import org.rcsb.cif.model.generated.StructNcsOper; -import org.rcsb.cif.model.generated.StructRef; -import org.rcsb.cif.model.generated.StructRefSeq; -import org.rcsb.cif.model.generated.StructRefSeqDif; -import org.rcsb.cif.model.generated.StructSheetRange; -import org.rcsb.cif.model.generated.StructSite; -import org.rcsb.cif.model.generated.StructSiteGen; -import org.rcsb.cif.model.generated.Symmetry; +import org.rcsb.cif.schema.mm.AtomSite; +import org.rcsb.cif.schema.mm.AtomSites; +import org.rcsb.cif.schema.mm.AuditAuthor; +import org.rcsb.cif.schema.mm.Cell; +import org.rcsb.cif.schema.mm.ChemComp; +import org.rcsb.cif.schema.mm.ChemCompBond; +import org.rcsb.cif.schema.mm.DatabasePDBRemark; +import org.rcsb.cif.schema.mm.DatabasePDBRev; +import org.rcsb.cif.schema.mm.DatabasePDBRevRecord; +import org.rcsb.cif.schema.mm.Entity; +import org.rcsb.cif.schema.mm.EntityPoly; +import org.rcsb.cif.schema.mm.EntityPolySeq; +import org.rcsb.cif.schema.mm.EntitySrcGen; +import org.rcsb.cif.schema.mm.EntitySrcNat; +import org.rcsb.cif.schema.mm.Exptl; +import org.rcsb.cif.schema.mm.PdbxAuditRevisionHistory; +import org.rcsb.cif.schema.mm.PdbxChemCompIdentifier; +import org.rcsb.cif.schema.mm.PdbxDatabaseStatus; +import org.rcsb.cif.schema.mm.PdbxEntityBranchDescriptor; +import org.rcsb.cif.schema.mm.PdbxEntitySrcSyn; +import org.rcsb.cif.schema.mm.PdbxMolecule; +import org.rcsb.cif.schema.mm.PdbxMoleculeFeatures; +import org.rcsb.cif.schema.mm.PdbxNonpolyScheme; +import org.rcsb.cif.schema.mm.PdbxReferenceEntityLink; +import org.rcsb.cif.schema.mm.PdbxReferenceEntityList; +import org.rcsb.cif.schema.mm.PdbxReferenceEntityPolyLink; +import org.rcsb.cif.schema.mm.PdbxStructAssembly; +import org.rcsb.cif.schema.mm.PdbxStructAssemblyGen; +import org.rcsb.cif.schema.mm.PdbxStructModResidue; +import org.rcsb.cif.schema.mm.PdbxStructOperList; +import org.rcsb.cif.schema.mm.Refine; +import org.rcsb.cif.schema.mm.Struct; +import org.rcsb.cif.schema.mm.StructAsym; +import org.rcsb.cif.schema.mm.StructConf; +import org.rcsb.cif.schema.mm.StructConn; +import org.rcsb.cif.schema.mm.StructConnType; +import org.rcsb.cif.schema.mm.StructKeywords; +import org.rcsb.cif.schema.mm.StructNcsOper; +import org.rcsb.cif.schema.mm.StructRef; +import org.rcsb.cif.schema.mm.StructRefSeq; +import org.rcsb.cif.schema.mm.StructRefSeqDif; +import org.rcsb.cif.schema.mm.StructSheetRange; +import org.rcsb.cif.schema.mm.StructSite; +import org.rcsb.cif.schema.mm.StructSiteGen; +import org.rcsb.cif.schema.mm.Symmetry; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -770,7 +770,7 @@ public void consumePdbxDatabaseStatus(PdbxDatabaseStatus pdbxDatabaseStatus) { } @Override - public void consumePdbxEntityDescriptor(PdbxEntityDescriptor pdbxEntityDescriptor) { + public void consumePdbxEntityBranchDescriptor(PdbxEntityBranchDescriptor pdbxEntityBranchDescriptor) { // TODO not considered in ref } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java index 672e618613..8f82e310b6 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java @@ -3,8 +3,9 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.io.FileParsingParameters; import org.rcsb.cif.CifIO; -import org.rcsb.cif.model.Block; import org.rcsb.cif.model.CifFile; +import org.rcsb.cif.schema.StandardSchemata; +import org.rcsb.cif.schema.mm.MmCifBlock; import java.io.IOException; import java.io.InputStream; @@ -104,7 +105,7 @@ public static Structure fromCifFile(CifFile cifFile, FileParsingParameters param consumer.prepare(); // feed individual categories to consumer - Block cifBlock = cifFile.getFirstBlock(); + MmCifBlock cifBlock = cifFile.as(StandardSchemata.MMCIF).getFirstBlock(); consumer.consumeAuditAuthor(cifBlock.getAuditAuthor()); consumer.consumeAtomSite(cifBlock.getAtomSite()); @@ -125,7 +126,7 @@ public static Structure fromCifFile(CifFile cifFile, FileParsingParameters param consumer.consumePdbxAuditRevisionHistory(cifBlock.getPdbxAuditRevisionHistory()); consumer.consumePdbxChemCompIdentifier(cifBlock.getPdbxChemCompIdentifier()); consumer.consumePdbxDatabaseStatus(cifBlock.getPdbxDatabaseStatus()); - consumer.consumePdbxEntityDescriptor(cifBlock.getPdbxEntityDescriptor()); + consumer.consumePdbxEntityBranchDescriptor(cifBlock.getPdbxEntityBranchDescriptor()); consumer.consumePdbxMolecule(cifBlock.getPdbxMolecule()); consumer.consumePdbxMoleculeFeatures(cifBlock.getPdbxMoleculeFeatures()); consumer.consumePdbxNonpolyScheme(cifBlock.getPdbxNonpolyScheme()); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java index 9d839de4f2..6b39cf9c58 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java @@ -9,14 +9,16 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.xtal.CrystalCell; import org.biojava.nbio.structure.xtal.SpaceGroup; +import org.rcsb.cif.CifBuilder; import org.rcsb.cif.model.Category; import org.rcsb.cif.model.CifFile; -import org.rcsb.cif.model.builder.BlockBuilder; -import org.rcsb.cif.model.builder.CategoryBuilder; -import org.rcsb.cif.model.builder.CifBuilder; -import org.rcsb.cif.model.builder.FloatColumnBuilder; -import org.rcsb.cif.model.builder.IntColumnBuilder; -import org.rcsb.cif.model.builder.StrColumnBuilder; +import org.rcsb.cif.model.FloatColumnBuilder; +import org.rcsb.cif.model.IntColumnBuilder; +import org.rcsb.cif.model.StrColumnBuilder; +import org.rcsb.cif.schema.StandardSchemata; +import org.rcsb.cif.schema.mm.MmCifBlockBuilder; +import org.rcsb.cif.schema.mm.MmCifCategoryBuilder; +import org.rcsb.cif.schema.mm.MmCifFileBuilder; import java.util.ArrayList; import java.util.LinkedHashMap; @@ -43,7 +45,7 @@ public CifFile get(Structure structure) { List wrappedAtoms = collectWrappedAtoms(structure); Category atomSite = wrappedAtoms.stream().collect(toAtomSite()); - BlockBuilder blockBuilder = new CifBuilder() + MmCifBlockBuilder blockBuilder = CifBuilder.enterFile(StandardSchemata.MMCIF) .enterBlock(structure.getPDBCode()); if (atomSite.isDefined() && atomSite.getRowCount() > 0) { @@ -187,30 +189,30 @@ int getAtomId() { } static class AtomSiteCollector implements Consumer { - private final CategoryBuilder.AtomSiteBuilder atomSiteBuilder; - private final StrColumnBuilder groupPDB; - private final IntColumnBuilder id; - private final StrColumnBuilder typeSymbol; - private final StrColumnBuilder labelAtomId; - private final StrColumnBuilder labelAltId; - private final StrColumnBuilder labelCompId; - private final StrColumnBuilder labelAsymId; - private final StrColumnBuilder labelEntityId; - private final IntColumnBuilder labelSeqId; - private final StrColumnBuilder pdbxPDBInsCode; - private final FloatColumnBuilder cartnX; - private final FloatColumnBuilder cartnY; - private final FloatColumnBuilder cartnZ; - private final FloatColumnBuilder occupancy; - private final FloatColumnBuilder bIsoOrEquiv; - private final IntColumnBuilder authSeqId; - private final StrColumnBuilder authCompId; - private final StrColumnBuilder authAsymId; - private final StrColumnBuilder authAtomId; - private final IntColumnBuilder pdbxPDBModelNum; + private final MmCifCategoryBuilder.AtomSiteBuilder atomSiteBuilder; + private final StrColumnBuilder groupPDB; + private final IntColumnBuilder id; + private final StrColumnBuilder typeSymbol; + private final StrColumnBuilder labelAtomId; + private final StrColumnBuilder labelAltId; + private final StrColumnBuilder labelCompId; + private final StrColumnBuilder labelAsymId; + private final StrColumnBuilder labelEntityId; + private final IntColumnBuilder labelSeqId; + private final StrColumnBuilder pdbxPDBInsCode; + private final FloatColumnBuilder cartnX; + private final FloatColumnBuilder cartnY; + private final FloatColumnBuilder cartnZ; + private final FloatColumnBuilder occupancy; + private final FloatColumnBuilder bIsoOrEquiv; + private final IntColumnBuilder authSeqId; + private final StrColumnBuilder authCompId; + private final StrColumnBuilder authAsymId; + private final StrColumnBuilder authAtomId; + private final IntColumnBuilder pdbxPDBModelNum; AtomSiteCollector() { - this.atomSiteBuilder = new CategoryBuilder.AtomSiteBuilder(null); + this.atomSiteBuilder = new MmCifCategoryBuilder.AtomSiteBuilder(null); this.groupPDB = atomSiteBuilder.enterGroupPDB(); this.id = atomSiteBuilder.enterId(); this.typeSymbol = atomSiteBuilder.enterTypeSymbol(); @@ -286,7 +288,7 @@ public void accept(WrappedAtom wrappedAtom) { } AtomSiteCollector combine(AtomSiteCollector other) { - throw new UnsupportedOperationException("impl by calling addAll for all collection - not feeling like writing that code"); + throw new UnsupportedOperationException("impl by calling addAll for all collection"); } Category get() { diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java index 84d23a875e..0d2ddaf4f6 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImplTest.java @@ -9,9 +9,10 @@ import org.biojava.nbio.structure.io.PDBFileParser; import org.junit.Test; import org.rcsb.cif.CifIO; -import org.rcsb.cif.model.CifFile; -import org.rcsb.cif.model.Column; +import org.rcsb.cif.model.IntColumn; import org.rcsb.cif.model.ValueKind; +import org.rcsb.cif.schema.StandardSchemata; +import org.rcsb.cif.schema.mm.MmCifFile; import java.io.ByteArrayInputStream; import java.io.IOException; @@ -210,8 +211,8 @@ public void specialCases() throws IOException { "7 1S32 . D . GB 30268542 MET 1 'INTIATING METHIONINE' ? ? 7\n"+ "8 1S32 . H . GB 30268542 MET 1 'INTIATING METHIONINE' ? ? 8\n" + "#" ; - CifFile cifFile = CifIO.readFromInputStream(new ByteArrayInputStream(mmcifStr.getBytes())); - Column column = cifFile.getFirstBlock().getCategory("struct_ref_seq_dif").getColumn("seq_num"); + MmCifFile cifFile = CifIO.readFromInputStream(new ByteArrayInputStream(mmcifStr.getBytes())).as(StandardSchemata.MMCIF); + IntColumn column = cifFile.getFirstBlock().getStructRefSeqDif().getSeqNum(); assertNotNull(column); assertTrue(column.isDefined()); From 2d7dbf72b336977193fecd7c7899b5f4580e50aa Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Wed, 22 Jul 2020 14:06:13 -0700 Subject: [PATCH 195/821] Avoid another external dependency in test --- .../biojava/nbio/structure/io/FastaAFPChainConverterTest.java | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/FastaAFPChainConverterTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/FastaAFPChainConverterTest.java index 8ae41a91cd..da9242e80f 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/FastaAFPChainConverterTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/FastaAFPChainConverterTest.java @@ -134,7 +134,9 @@ public void testBug1() throws IOException, StructureException, CompoundNotFoundE String b = "----------------------------------------------------------------------lsYFSKqtqtynigkLFTIIELQSVLVTTYTDILGV----LTINVtsmeELARDMLNSMN----VAVVSSLVKNVNKLMEEYLRRHNKSCICYGSYSLYLINPNIRYGDIDILQTNSRTFLIDLAFLIKFITGNNIILSKIPYLRNYMVIKDENDNHIIDSFNIRQDTMNVVPKIFIDNIYIVDPtfqLLNMIKMFSQ---IDRLEDLS----KDPEKFNARMATMLEYvrythgIVFDG--KRNNMPMKCIIDENNRIVTVTTKDYFSFKKCLVYLDENVLSSDILDLNADTSCDFESVTNSVYLIHDNIMYTYFSNTILLSDKGKV---HEISARGLCAHILlyqmltsGEYkqCLSDLLNSMMN--RDKIPIYS--HTERDKKPGRHGFINIEKDIIVFnitlkiietylgrvpsvneyhmlksqarniqkitvfnkdifvslvkknkkrffsdvntsaseikdri"; // ========================================================================KQTQ=========NIGKLFTIIELQSVLVTTYTD====LTINV====TSMEELARDML====VAVVSSLVKNVNKLMEEYLRRHNKSCICYGSYSLYLINPNIRYGDIDILQTNSRTFLIDLAFLIKFITGNNIILSKIPYLRNYMVIKDENDNHIIDSFNIRQDTMNVVPKIFIDNIYIVDP===TFQLLNMIKM===IDRLEDLS====KFNARMATMLEYVRYT======HGIVF==KRNNMPMKCIIDENNRIVTVTTKDYFSFKKCLVYLDENVLSSDILDLNADTSCDFESVTNSVYLIHDNIMYTYFSNTILLSDKGKV===SARGLCAHILLYQ=======TSG==EYKQCLSDLLN==MNRDKIPI==HTERDKKPGRHGFINIEKDIIVF=================================================================== // ========================================================================YFSK=========LFTIIELQSVLVTTYTDILGV====LTINV====ELARDMLNSMN====VAVVSSLVKNVNKLMEEYLRRHNKSCICYGSYSLYLINPNIRYGDIDILQTNSRTFLIDLAFLIKFITGNNIILSKIPYLRNYMVIKDENDNHIIDSFNIRQDTMNVVPKIFIDNIYIVDP===LLNMIKMFSQ===IDRLEDLS====KDPEKFNARMATMLEY======IVFDG==KRNNMPMKCIIDENNRIVTVTTKDYFSFKKCLVYLDENVLSSDILDLNADTSCDFESVTNSVYLIHDNIMYTYFSNTILLSDKGKV===HEISARGLCAHIL=======GEY==CLSDLLNSMMN==RDKIPIYS==HTERDKKPGRHGFINIEKDIIVF=================================================================== - Structure structure = StructureTools.getStructure("d3er9b_"); + // Note: before BioJava 6.0.0, this used to get scop id d3er9b. The domain happens to be the whole of chain B. To avoid dependence on Berkeley Scop provider in tests we use directly the chain + //Structure structure = StructureTools.getStructure("d3er9b_"); + Structure structure = StructureTools.getStructure("3er9.B"); AFPChain afpChain = FastaAFPChainConverter.cpFastaToAfpChain(a, b, structure, 67); assertEquals("Wrong RMSD", 2.681, afpChain.getTotalRmsdOpt(), 0.001); assertEquals("Wrong TM-score", 0.69848, afpChain.getTMScore(), 0.001); From a5f78faa30e9ecd5e3bab785c7e8445d80e4df85 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Thu, 23 Jul 2020 16:28:03 -0700 Subject: [PATCH 196/821] Replacing scop id by hard-coded range in test --- .../internal/TestSequenceFunctionOrderDetector.java | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/symmetry/internal/TestSequenceFunctionOrderDetector.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/symmetry/internal/TestSequenceFunctionOrderDetector.java index 6df1faf477..d59261195b 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/symmetry/internal/TestSequenceFunctionOrderDetector.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/symmetry/internal/TestSequenceFunctionOrderDetector.java @@ -37,7 +37,7 @@ import org.junit.Test; /** - * Originally part of {@link CeSymmTest}. + * Originally part of {@link TestCeSymm}. * @author Spencer Bliven */ public class TestSequenceFunctionOrderDetector { @@ -45,12 +45,13 @@ public class TestSequenceFunctionOrderDetector { @Test public void testGetSymmetryOrder() throws IOException, StructureException, RefinerFailedException { // List of alignments to try, along with proper symmetry - Map orderMap = new HashMap(); + Map orderMap = new HashMap<>(); orderMap.put("1itb.A",3); // b-trefoil, C3 orderMap.put("1tim.A",2); // tim-barrel, C8 //orderMap.put("d1p9ha_",-1); // not rotational symmetry orderMap.put("3HKE.A",2); // very questionable alignment - orderMap.put("d1jlya1",3); // a very nice trefoil + // Before BioJava 6.0.0, this used to get a scop domain directly (d1jlya1), now hardcoding range to avoid external resources + orderMap.put("1JLY.A_1-153", 3); // a very nice trefoil AtomCache cache = new AtomCache(); From c76aca83af2e0b94d3be49352cbe425f059c9be2 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Thu, 23 Jul 2020 16:32:30 -0700 Subject: [PATCH 197/821] Better way of specifying hard-coded domains --- .../nbio/structure/align/ce/CeCPMainTest.java | 19 ++----------------- 1 file changed, 2 insertions(+), 17 deletions(-) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java index 319cf25f10..1be0ed0e6f 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/ce/CeCPMainTest.java @@ -34,9 +34,7 @@ import java.io.IOException; import java.lang.reflect.InvocationTargetException; -import java.util.ArrayList; import java.util.Arrays; -import java.util.List; /** @@ -407,26 +405,13 @@ private Atom[] makeDummyCA(int len) throws PDBParseException { @Test public void testCECP1() throws IOException, StructureException{ - String pdb1 = "3A2K"; - //String name1 = "PDP:3A2KAc"; // A : 234-333 - String pdb2 = "1WY5"; - //String name2 = "d1wy5a2"; // A : 217-311 - AtomCache cache = new AtomCache(); // since BioJava 6.0.0, there's no PDP provider. The below corresponds to domain "PDP:3A2KAc" - List ranges = new ArrayList<>(); - ranges.add(new ResidueRange("A", new ResidueNumber("A",234, null), new ResidueNumber("A", 333, null))); - SubstructureIdentifier ssi = new SubstructureIdentifier(pdb1, ranges); - Structure structure1 = cache.getStructure(pdb1); - ssi.reduce(structure1); + Structure structure1 = cache.getStructure("3A2K.A_234-333"); // since BioJava 6.0.0, there's no RemoteSCOP provider. The below corresponds to domain "d1wy5a2" - ranges = new ArrayList<>(); - ranges.add(new ResidueRange("A", new ResidueNumber("A",217, null), new ResidueNumber("A", 311, null))); - ssi = new SubstructureIdentifier(pdb2, ranges); - Structure structure2 = cache.getStructure(pdb2); - ssi.reduce(structure2); + Structure structure2 = cache.getStructure("1WY5.A_217-311"); CeCPMain algorithm = new CeCPMain(); From aae39db1e3f52750acf802a6b60c90e582a2bb28 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Thu, 23 Jul 2020 21:02:54 -0700 Subject: [PATCH 198/821] Removing all code that called the legacy rcsb pdb apis --- CHANGELOG.md | 1 + .../structure/rcsb/GetRepresentatives.java | 129 ------ .../nbio/structure/rcsb/PdbIdLists.java | 293 -------------- .../nbio/structure/rcsb/RCSBDescription.java | 64 --- .../rcsb/RCSBDescriptionFactory.java | 188 --------- .../nbio/structure/rcsb/RCSBLigand.java | 110 ------ .../nbio/structure/rcsb/RCSBLigands.java | 64 --- .../structure/rcsb/RCSBLigandsFactory.java | 366 ------------------ .../structure/rcsb/RCSBMacromolecule.java | 63 --- .../nbio/structure/rcsb/RCSBPolymer.java | 145 ------- .../nbio/structure/rcsb/RCSBTaxonomy.java | 53 --- .../nbio/structure/rcsb/RCSBUpdates.java | 89 ----- .../nbio/structure/rcsb/ReadUtils.java | 135 ------- 13 files changed, 1 insertion(+), 1699 deletions(-) delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/GetRepresentatives.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/PdbIdLists.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBDescription.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBDescriptionFactory.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigand.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigands.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigandsFactory.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBMacromolecule.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBPolymer.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBTaxonomy.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBUpdates.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/ReadUtils.java diff --git a/CHANGELOG.md b/CHANGELOG.md index 2218b88ed9..377e6fea62 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,6 +9,7 @@ BioJava 6.0.0 (future release) * PDP domain providers (depended on JFatCatClient) * Support for retrieving structure data with prefix "PDP:" (AtomCache, StructureIO) * RemoteScopInstallation consuming data provided by source.rcsb.org +* The whole `org.biojava.nbio.structure.rcsb` package, a client for the now legacy RCSB PDB APIs (to be shutdown in Nov 2020) BioJava 5.4.0 ============= diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/GetRepresentatives.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/GetRepresentatives.java deleted file mode 100644 index 6d37ab4b24..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/GetRepresentatives.java +++ /dev/null @@ -1,129 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.rcsb; - -import org.biojava.nbio.structure.align.client.StructureName; -import org.biojava.nbio.structure.align.util.URLConnectionTools; -import org.biojava.nbio.structure.align.xml.RepresentativeXMLConverter; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.io.BufferedReader; -import java.io.InputStream; -import java.io.InputStreamReader; -import java.net.URL; -import java.util.Arrays; -import java.util.List; -import java.util.SortedSet; -import java.util.TreeSet; - -/** - * TODO Move this to {@link Representatives}. - */ -public class GetRepresentatives { - - private static final Logger logger = LoggerFactory.getLogger(GetRepresentatives.class); - - private static String clusterUrl = "http://www.rcsb.org/pdb/rest/representatives?cluster="; - private static String allUrl = "http://www.rcsb.org/pdb/rest/getCurrent/"; - - // available sequence clusters - private static List seqIdentities = Arrays.asList(30, 40, 50, 70, 90, 95, 100); - - - /** - * Returns a representative set of PDB protein chains at the specified sequence - * identity cutoff. See http://www.pdb.org/pdb/statistics/clusterStatistics.do - * for more information. - * @param sequenceIdentity sequence identity threshold - * @return PdbChainKey set of representatives - */ - public static SortedSet getRepresentatives(int sequenceIdentity) { - SortedSet representatives = new TreeSet(); - - if (!seqIdentities.contains(sequenceIdentity)) { - System.err.println("Error: representative chains are not available for %sequence identity: " - + sequenceIdentity); - return representatives; - } - - - try { - - URL u = new URL(clusterUrl + sequenceIdentity); - - InputStream stream = URLConnectionTools.getInputStream(u, 60000); - - String xml = null; - - if (stream != null) { - xml = ReadUtils.convertStreamToString(stream); - - SortedSet reps = RepresentativeXMLConverter.fromXML(xml); - - for (String s : reps) { - StructureName k = new StructureName(s); - representatives.add(k); - } - - } - - } catch (Exception e) { - e.printStackTrace(); - } - - return representatives; - } - - /** - * Returns the current list of all PDB IDs. - * @return PdbChainKey set of all PDB IDs. - */ - public static SortedSet getAll() { - SortedSet representatives = new TreeSet(); - - try { - - URL u = new URL(allUrl); - - InputStream stream = URLConnectionTools.getInputStream(u, 60000); - - if (stream != null) { - BufferedReader reader = new BufferedReader( - new InputStreamReader(stream)); - - String line = null; - - while ((line = reader.readLine()) != null) { - int index = line.lastIndexOf("structureId="); - if (index > 0) { - representatives.add(line.substring(index + 13, index + 17)); - } - } - } - - } catch (Exception e) { - e.printStackTrace(); - } - - return representatives; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/PdbIdLists.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/PdbIdLists.java deleted file mode 100644 index 78f1ea8c9e..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/PdbIdLists.java +++ /dev/null @@ -1,293 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.rcsb; - -import java.io.*; -import java.net.URL; -import java.net.URLConnection; -import java.net.URLEncoder; -import java.util.*; - -/** - * Utility classes for retrieving lists of PDB IDs. - * - * @author Andreas Prlic - * @since 4.2.0 - */ -public class PdbIdLists { - - /** get the list of current PDB IDs - * - * @return list of current PDB IDs - * @throws IOException - */ - public static Set getCurrentPDBIds() throws IOException { - String xml ="\n" + - " head\n" + - " org.pdb.query.simple.HoldingsQuery\n" + - " Holdings : All Structures\n" + - " ignore\n" + - " ignore\n" + - " "; - - return postQuery(xml); - } - - - /** Get the PDB IDs of all virus structures in the current PDB - * - * @return list of all virus structures - * @throws IOException - */ - public static Set getAllViruses() throws IOException{ - String xml = "\n" + - " head\n" + - " org.pdb.query.simple.EntriesOfEntitiesQuery\n" + - " Entries of :Oligomeric state Search : Min Number of oligomeric state=PAU\n" + - " and\n" + - " TaxonomyTree Search for Viruses\n" + - " \n" + - " \n" + - " \n" + - " 0\n" + - " \n" + - " head\n" + - " org.pdb.query.simple.BiolUnitQuery\n" + - " Oligomeric state Search : Min Number of oligomeric state=PAU \n" + - " PAU\n" + - " \n" + - " \n" + - " \n" + - " 1\n" + - " and\n" + - " \n" + - " head\n" + - " org.pdb.query.simple.TreeEntityQuery\n" + - " TaxonomyTree Search for Viruses\n" + - " 1\n" + - " 10239\n" + - " Viruses\n" + - " \n" + - " \n" + - " ]]>\n" + - " "; - - return postQuery(xml); - } - - - /** get list of all current NMR structures - * - * @return list of NMR structures - * @throws IOException - */ - public static Set getNMRStructures() throws IOException{ - String xml = "\n" + - " \n" + - " 0\n" + - " \n" + - " head\n" + - " org.pdb.query.simple.HoldingsQuery\n" + - " Holdings : All Structures\n" + - " ignore\n" + - " ignore\n" + - " \n" + - " \n" + - " \n" + - " 1\n" + - " and\n" + - " \n" + - " head\n" + - " org.pdb.query.simple.ExpTypeQuery\n" + - " Experimental Method is SOLUTION NMR\n" + - " SOLUTION NMR\n" + - " y\n" + - " \n" + - " \n" + - "\n"; - - - return postQuery(xml); - } - - - /** get all PDB IDs of gag-polyproteins - * - * @return list of PDB IDs - * @throws IOException - */ - public static Set getGagPolyproteins() throws IOException { - String xml = "\n" + - " \n" + - " 0\n" + - " \n" + - " head\n" + - " org.pdb.query.simple.HoldingsQuery\n" + - " Holdings : All Structures\n" + - " ignore\n" + - " ignore\n" + - " \n" + - " \n" + - " \n" + - " 1\n" + - " and\n" + - " \n" + - " head\n" + - " org.pdb.query.simple.MacroMoleculeQuery\n" + - " Molecule : Gag-Pol polyprotein [A1Z651, O12158, P03355, P03366, P03367, P03369, P04584, P04585, P04586, P04587, P04588, P05896, P05897, P05959, P05961, P0C6F2, P12497, P12499, P18042, P19505 ... ]\n" + - " A1Z651,O12158,P03355,P03366,P03367,P03369,P04584,P04585,P04586,P04587,P04588,P05896,P05897,P05959,P05961,P0C6F2,P12497,P12499,P18042,P19505,P19560,P20875,P24740,P35963,Q699E2,Q70XD7,Q72547,Q7SMT3,Q7SPG9,Q90VT5\n" + - " \n" + - " \n" + - ""; - - return postQuery(xml); - } - - /** get all Transmembrane proteins - * - * @return list of PDB IDs - * @throws IOException - */ - public static Set getTransmembraneProteins() throws IOException { - String xml = " \n" + - " head\n" + - " org.pdb.query.simple.TreeQuery\n" + - " TransmembraneTree Search for root\n" + - " 19\n" + - " 0\n" + - " root\n" + - " "; - - return postQuery(xml); - } - - public static Set getNucleotides() throws IOException{ - String xml ="\n" + - " head\n" + - " org.pdb.query.simple.ChainTypeQuery\n" + - " Chain Type: there is not any Protein chain\n" + - " N\n" + - " ?\n" + - " ?\n" + - " ?\n" + - " "; - return postQuery(xml); - } - - public static SetgetRibosomes() throws IOException{ - String xml = "\n" + - " head\n" + - " org.pdb.query.simple.StructureKeywordsQuery\n" + - " StructureKeywordsQuery: struct_keywords.pdbx_keywords.comparator=contains struct_keywords.pdbx_keywords.value=RIBOSOME \n" + - " contains\n" + - " RIBOSOME\n" + - " "; - - return postQuery(xml); - } - - public static final String SERVICELOCATION="http://www.rcsb.org/pdb/rest/search"; - - - /** post am XML query (PDB XML query format) to the RESTful RCSB web service - * - * @param xml - * @return a list of PDB ids. - */ - public static Set postQuery(String xml) - throws IOException{ - - //System.out.println(xml); - - - URL u = new URL(SERVICELOCATION); - - - String encodedXML = URLEncoder.encode(xml,"UTF-8"); - - - InputStream in = doPOST(u,encodedXML); - - Set pdbIds = new TreeSet(); - - - try (BufferedReader rd = new BufferedReader(new InputStreamReader(in))) { - - String line; - while ((line = rd.readLine()) != null) { - - pdbIds.add(line); - - } - rd.close(); - } - - - return pdbIds; - - - - } - - /** do a POST to a URL and return the response stream for further processing elsewhere. - * - * - * @param url - * @return - * @throws IOException - */ - public static InputStream doPOST(URL url, String data) - - throws IOException - { - - // Send data - - URLConnection conn = url.openConnection(); - - conn.setDoOutput(true); - - try(OutputStreamWriter wr = new OutputStreamWriter(conn.getOutputStream())) { - - wr.write(data); - wr.flush(); - } - - - // Get the response - return conn.getInputStream(); - - }; - - public static void main(String[] args){ - try { - System.out.println("Current PDB status: " + getCurrentPDBIds().size()); - System.out.println("Virus structures: " + getAllViruses().size()); - System.out.println("NMR structures: " + getNMRStructures().size()); - System.out.println("Gag-polyproteins: " + getGagPolyproteins().size()); - System.out.println("Transmembrane proteins: " + getTransmembraneProteins().size()); - System.out.println("Nucleotide: " + getNucleotides().size()); - System.out.println("Ribosomes: " + getRibosomes().size()); - } catch ( Exception e){ - e.printStackTrace(); - } - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBDescription.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBDescription.java deleted file mode 100644 index 6c738697c9..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBDescription.java +++ /dev/null @@ -1,64 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 2012-11-20 - * Created by Douglas Myers-Turnbull - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.rcsb; - -import java.util.ArrayList; -import java.util.List; - -/** - * Corresponds to the wrapper element in an RCSB {@code describeMol} XML file. - * - * @see RCSB RESTful - * - * @author dmyerstu - * @since 3.0.6 - */ -public class RCSBDescription { - - private String pdbId; - - private List polymers; - - public RCSBDescription() { - polymers = new ArrayList(); - } - - public void addPolymer(RCSBPolymer polymer) { - polymers.add(polymer); - } - - public String getPdbId() { - return pdbId; - } - - public List getPolymers() { - return polymers; - } - - void setPdbId(String pdbId) { - this.pdbId = pdbId; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBDescriptionFactory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBDescriptionFactory.java deleted file mode 100644 index f181a39e6b..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBDescriptionFactory.java +++ /dev/null @@ -1,188 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the terms of the GNU Lesser General Public Licence. This - * should be distributed with the code. If you do not have a copy, see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 2012-11-20 Created by Douglas Myers-Turnbull - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.rcsb; - -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; -import org.w3c.dom.Element; -import org.w3c.dom.NodeList; - -import java.io.IOException; -import java.io.InputStream; -import java.net.URL; - -/** - * Fetches information from RCSB's RESTful Web Service - * Interface. A factory for {@link RCSBDescription RCSBDescriptions} from {@code describeMol} XML files. The factory - * methods will return null if the data was not found (rather than throwing an exception); client code should test for - * this. This is for consistency: if the factory could not read some part (corresponding to a field in a class in - * {@code rcsb.descriptions}) of the XML file, either because it was blank or contained an error that could not be - * safely ignored, that field will simply be null. This holds even for numerical values. On some parse errors, the error - * will additionally be printed to standard error. - * - * Example usage: - * - * 

    - * RCSBDescription description = RCSBDescriptionFactory.get("1w0p");
- * RCSBLigand firstLigand = ligands.getLigands().get(0);
- * System.out.println(description.getPdbId()); // prints "1w0p"
- *
    - * - * @see RCSB RESTful - * - * TODO: Handle queries with more than 1 PDB Id. - * - * @author dmyerstu - * @since 3.0.6 - */ -public class RCSBDescriptionFactory { - - private static final Logger logger = LoggerFactory.getLogger(RCSBDescriptionFactory.class); - - private static final String URL_STUB = "http://www.rcsb.org/pdb/rest/describeMol?structureId="; - - /** - * @return An {@link RCSBDescription} from the XML file loaded as {@code stream}. Prefer calling - * {@link #get(String)} if you want data directly from RCSB's RESTful service. - * @see RCSBDescriptionFactory#get(String) - */ - public static RCSBDescription get(InputStream stream) { - - NodeList data; - try { - data = ReadUtils.getNodes(stream); - } catch (IOException e) { - logger.warn("Couldn't parse XML", e); - return null; - } - - // first get the main info - RCSBDescription description = new RCSBDescription(); - Element structureIdE = null; - for (int i = 0; i < data.getLength(); i++) { - if (data.item(i).getNodeType() != 1) continue; - structureIdE = (Element) data.item(i); - if (structureIdE.getNodeName().equals("structureId")) { - description.setPdbId(structureIdE.getAttribute("id")); - } - } - - // now get polymers - data = structureIdE.getChildNodes(); - Element polymerE = null; - for (int i = 0; i < data.getLength(); i++) { - if (data.item(i).getNodeType() != 1) continue; - polymerE = (Element) data.item(i); - if (polymerE.getNodeName().equals("polymer")) { - RCSBPolymer polymer = makePolymer(polymerE); - description.addPolymer(polymer); - } - } - - return description; - - } - - /** - * @return An {@link RCSBDescription} from the XML file at - * {@code "http://www.pdb.org/pdb/rest/describeMol?structureId=pdbId"}. This is the preferred factory - * method, unless a different URL or input source is required. - * @see RCSBDescriptionFactory#get(InputStream) - */ - public static RCSBDescription get(String pdbId) { - InputStream is; - try { - URL url = new URL(URL_STUB + pdbId); - is = url.openConnection().getInputStream(); - } catch (IOException e) { - logger.warn("Couldn't open connection", e); - return null; - } - return get(is); - } - - private static RCSBMacromolecule makeMolecule(Element moleculeE) { - RCSBMacromolecule molecule = new RCSBMacromolecule(); - molecule.setName(moleculeE.getAttribute("name")); - Element element = null; - NodeList data = moleculeE.getChildNodes(); - for (int i = 0; i < data.getLength(); i++) { - if (data.item(i).getNodeType() != 1) continue; - element = (Element) data.item(i); - if (element.getNodeName().equals("accession")) { - molecule.addAccession(element.getAttribute("id")); - } - } - return molecule; - } - - private static RCSBPolymer makePolymer(Element polymerE) { - - RCSBPolymer polymer = new RCSBPolymer(); - polymer.setIndex(ReadUtils.toInt(polymerE.getAttribute("entityNr"))); - polymer.setLength(ReadUtils.toInt(polymerE.getAttribute("length"))); - polymer.setWeight(ReadUtils.toDouble(polymerE.getAttribute("weight"))); - polymer.setType(ReadUtils.toStr(polymerE.getAttribute("type"))); - - Element element = null; - NodeList data = polymerE.getChildNodes(); - for (int i = 0; i < data.getLength(); i++) { - if (data.item(i).getNodeType() != 1) continue; - element = (Element) data.item(i); - if (element.getNodeName().equals("chain")) { - parseChains(polymer, element.getAttribute("id")); - } else if (element.getNodeName().equals("Taxonomy")) { - String name = element.getAttribute("name"); - int id = ReadUtils.toInt(element.getAttribute("id")); - RCSBTaxonomy taxonomy = new RCSBTaxonomy(name, id); - polymer.setTaxonomy(taxonomy); - } else if (element.getNodeName().equals("macroMolecule")) { - RCSBMacromolecule molecule = makeMolecule(element); - polymer.setMolecule(molecule); - } else if (element.getNodeName().equals("polymerDescription")) { - polymer.setDescription(element.getAttribute("description")); - } else if (element.getNodeName().equals("enzClass")) { - polymer.setEnzClass(element.getAttribute("ec")); - } else if (element.getNodeName().equals("synonym")) { - parseSynonyms(polymer, element.getAttribute("name")); - } - } - return polymer; - } - - private static void parseChains(RCSBPolymer polymer, String string) { - String[] parts = string.split("\\s*,\\s*"); - for (String part : parts) { - if (part.length() == 1) { - polymer.addChain(part.charAt(0)); - } else { - logger.warn("Chain id contained more than one character"); - } - } - } - - private static void parseSynonyms(RCSBPolymer polymer, String string) { - String[] parts = string.split("\\s*,\\s*"); - for (String part : parts) { - polymer.addSynonym(part); - } - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigand.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigand.java deleted file mode 100644 index 6eaf940eab..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigand.java +++ /dev/null @@ -1,110 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 2013-06-13 - * Created by Douglas Myers-Turnbull - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.rcsb; - -/** - * Corresponds to a ligand in a {@code ligandInfo} XML file. - * - * @see RCSB RESTful - * - * @author dmyerstu - * @since 3.0.6 - */ -public class RCSBLigand { - - private String formula; - private String id; - private String inChI; - private String inChIKey; - private String name; - private String smiles; - private String type; - private Double weight; - - public String getFormula() { - return formula; - } - - public String getId() { - return id; - } - - public String getInChI() { - return inChI; - } - - public String getInChIKey() { - return inChIKey; - } - - public String getName() { - return name; - } - - public String getSmiles() { - return smiles; - } - - public String getType() { - return type; - } - - public Double getWeight() { - return weight; - } - - public void setFormula(String formula) { - this.formula = formula; - } - - public void setId(String id) { - this.id = id; - } - - public void setInChI(String inChI) { - this.inChI = inChI; - } - - public void setInChIKey(String inChIKey) { - this.inChIKey = inChIKey; - } - - public void setName(String name) { - this.name = name; - } - - public void setSmiles(String smiles) { - this.smiles = smiles; - } - - public void setType(String type) { - this.type = type; - } - - public void setWeight(Double weight) { - this.weight = weight; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigands.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigands.java deleted file mode 100644 index 2b06448fd0..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigands.java +++ /dev/null @@ -1,64 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 2013-06-13 - * Created by Douglas Myers-Turnbull - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.rcsb; - -import java.util.ArrayList; -import java.util.List; - -/** - * Corresponds to the wrapper element "ligandInfo" in an RCSB {@code ligandInfo} XML file. - * - * @see RCSB RESTful - * - * @author dmyerstu - * @since 3.0.6 - */ -public class RCSBLigands { - - private String pdbId; - - private List ligands; - - public RCSBLigands() { - ligands = new ArrayList(); - } - - public void addLigand(RCSBLigand ligand) { - ligands.add(ligand); - } - - public String getPdbId() { - return pdbId; - } - - public List getLigands() { - return ligands; - } - - void setPdbId(String pdbId) { - this.pdbId = pdbId; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigandsFactory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigandsFactory.java deleted file mode 100644 index 723bbfac5a..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBLigandsFactory.java +++ /dev/null @@ -1,366 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the terms of the GNU Lesser General Public Licence. This - * should be distributed with the code. If you do not have a copy, see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 2013-06-13 Created by Douglas Myers-Turnbull - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.rcsb; - -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; -import org.w3c.dom.Element; -import org.w3c.dom.NodeList; - -import java.io.IOException; -import java.io.InputStream; -import java.net.URL; -import java.util.ArrayList; -import java.util.List; - -/** - * Fetches information from RCSB's RESTful Web Service - * Interface. A factory for {@link RCSBLigands RCSBLigands} from {@code ligandInfo} XML files. The factory methods - * will return null if the data was not found (rather than throwing an exception); client code should test for this. - * This is for consistency: if the factory could not read some part (corresponding to a field in a class in - * {@code rcsb.descriptions}) of the XML file, either because it was blank or contained an error that could not be - * safely ignored, that field will simply be null. This holds even for numerical values. On some parse errors, the error - * will additionally be printed to standard error. - * - * Example usage: - * - * 
    - * RCSBLigands ligands = RCSBLigandsFactory.getFromPdbIds("1w0p");
- * List<RCSBLigand> list = ligands.getLigands();
- * System.out.println(list.get(0).getFormula()); // prints "CA 2"
- * System.out.println(list.get(1).getFormula()); // prints "C11 H19 N O9"
- *
    - * - * @see RCSB RESTful - * - * @author dmyerstu - * @since 3.0.6 - */ - -public class RCSBLigandsFactory { - - private static final String HET_URL_STUB = "http://www.rcsb.org/pdb/rest/describeHet?chemicalID="; - - private static final Logger logger = LoggerFactory.getLogger(RCSBLigandsFactory.class); - - private static final String PDB_URL_STUB = "http://www.rcsb.org/pdb/rest/ligandInfo?structureId="; - - /** - * @return A list of {@link RCSBLigand RCSBLigands} from the XML file loaded as {@code stream}. Prefer calling - * {@link #getFromHeteroAtomId(String)} if you want data directly from RCSB's RESTful service. - * @see RCSBDescriptionFactory#get(String) - */ - public static RCSBLigand getFromHeteroAtomId(InputStream stream) { - return getFromHeteroAtomIds(stream).get(0); - } - - /** - * @return An {@link RCSBLigands} from the XML file at - * {@code "http://www.pdb.org/pdb/rest/describeHet?chemicalID=hetid"}. This is the preferred factory method, - * unless a different URL or input source is required. - * @see RCSBDescriptionFactory#get(InputStream) - */ - public static RCSBLigand getFromHeteroAtomId(String heteroAtomId) { - return getFromHeteroAtomIds(heteroAtomId).get(0); - } - - /** - * @return A list of {@link RCSBLigand RCSBLigands} from the XML file loaded as {@code stream}. Prefer calling - * {@link #getFromHeteroAtomId(String)} if you want data directly from RCSB's RESTful service. - * @see RCSBDescriptionFactory#get(String) - */ - public static List getFromHeteroAtomIds(InputStream stream) { - - NodeList data; - try { - data = ReadUtils.getNodes(stream); - } catch (IOException e) { - logger.warn("Couldn't parse XML", e); - return null; - } - - List ligands = new ArrayList(); - - // first get the ligandInfo - Element structureIdE = null; - for (int i = 0; i < data.getLength(); i++) { - if (data.item(i).getNodeType() != 1) continue; - structureIdE = (Element) data.item(i); - if (structureIdE.getNodeName().equals("ligandInfo")) { - break; - } - } - - // now get individual ligands - data = structureIdE.getChildNodes(); - Element ligandE = null; - for (int i = 0; i < data.getLength(); i++) { - if (data.item(i).getNodeType() != 1) continue; - ligandE = (Element) data.item(i); - if (ligandE.getNodeName().equals("ligand")) { - RCSBLigand ligand = makeLigand(ligandE); - ligands.add(ligand); - } - } - - return ligands; - - } - - /** - * @return An {@link RCSBLigands} from the XML file at - * {@code "http://www.pdb.org/pdb/rest/describeHet?chemicalID=hetid"}. This is the preferred factory method, - * unless a different URL or input source is required. - * @see RCSBDescriptionFactory#get(InputStream) - */ - public static List getFromHeteroAtomIds(List heteroAtomIds) { - String[] x = new String[heteroAtomIds.size()]; - heteroAtomIds.toArray(x); - return getFromHeteroAtomIds(x); // somewhat cheating here - } - - /** - * @return An {@link RCSBLigands} from the XML file at - * {@code "http://www.pdb.org/pdb/rest/describeHet?chemicalID=hetid"}. This is the preferred factory method, - * unless a different URL or input source is required. - * @see RCSBDescriptionFactory#get(InputStream) - */ - public static List getFromHeteroAtomIds(String... heteroAtomIds) { - StringBuilder sb = new StringBuilder(); - for (int i = 0; i < heteroAtomIds.length; i++) { - if (i > 0) sb.append(","); - sb.append(heteroAtomIds[i]); - } - InputStream is; - try { - URL url = new URL(HET_URL_STUB + sb.toString()); - is = url.openConnection().getInputStream(); - } catch (IOException e) { - logger.warn("Couldn't open connection", e); - return null; - } - return getFromHeteroAtomIds(is); - } - - /** - * @return An {@link RCSBLigands} from the XML file loaded as {@code stream}. Prefer calling - * {@link #getFromPdbId(String)} if you want data directly from RCSB's RESTful service. - * @see RCSBDescriptionFactory#get(String) - */ - public static RCSBLigands getFromPdbId(InputStream stream) { - - NodeList data; - try { - data = ReadUtils.getNodes(stream); - } catch (IOException e) { - logger.warn("Couldn't parse XML", e); - return null; - } - - // first get the ligandInfo - RCSBLigands ligands = new RCSBLigands(); - Element structureIdE = null; - for (int i = 0; i < data.getLength(); i++) { - if (data.item(i).getNodeType() != 1) continue; - structureIdE = (Element) data.item(i); - if (structureIdE.getNodeName().equals("ligandInfo")) { - break; - } - } - - // now get individual ligands - data = structureIdE.getChildNodes(); - Element ligandE = null; - for (int i = 0; i < data.getLength(); i++) { - if (data.item(i).getNodeType() != 1) continue; - ligandE = (Element) data.item(i); - if (ligandE.getNodeName().equals("ligand")) { - if (ligands.getPdbId() == null) { - ligands.setPdbId(ligandE.getAttribute("structureId")); - } - RCSBLigand ligand = makeLigand(ligandE); - ligands.addLigand(ligand); - } - } - - return ligands; - - } - - /** - * @return An {@link RCSBLigands} from the XML file at - * {@code "http://www.pdb.org/pdb/rest/describeMol?structureId=pdbId"}. This is the preferred factory - * method, unless a different URL or input source is required. - * @see RCSBDescriptionFactory#get(InputStream) - */ - public static RCSBLigands getFromPdbId(String pdbId) { - InputStream is; - try { - URL url = new URL(PDB_URL_STUB + pdbId); - is = url.openConnection().getInputStream(); - } catch (IOException e) { - logger.warn("Couldn't open connection", e); - return null; - } - return getFromPdbId(is); - } - - /** - * @return An {@link RCSBLigands} from the XML file loaded as {@code stream}. Prefer calling - * {@link #getFromPdbId(String)} if you want data directly from RCSB's RESTful service. - * @see RCSBDescriptionFactory#get(String) - */ - public static List getFromPdbIds(InputStream stream) { - - NodeList dataaa; - try { - dataaa = ReadUtils.getNodes(stream); - } catch (IOException e) { - logger.warn("Couldn't parse XML", e); - return null; - } - - // first we have to handle the element "ligandsInEntry", which is not present if we have only 1 structure - - List ligandsList = new ArrayList(); - - Element structureIdE = null; - - for (int k = 0; k < dataaa.getLength(); k++) { - - if (dataaa.item(k).getNodeType() != 1) continue; - structureIdE = (Element) dataaa.item(k); - if (structureIdE.getNodeName().equals("structureId")) { - - // now get the ligandInfo - NodeList data = structureIdE.getChildNodes(); - RCSBLigands ligands = new RCSBLigands(); - Element ligandIdE = null; - for (int i = 0; i < data.getLength(); i++) { - if (data.item(i).getNodeType() != 1) continue; - ligandIdE = (Element) data.item(i); - if (ligandIdE.getNodeName().equals("ligandInfo")) { - break; - } - } - - // now get individual ligands - data = ligandIdE.getChildNodes(); - Element ligandE = null; - for (int i = 0; i < data.getLength(); i++) { - if (data.item(i).getNodeType() != 1) continue; - ligandE = (Element) data.item(i); - if (ligandE.getNodeName().equals("ligand")) { - if (ligands.getPdbId() == null) { - ligands.setPdbId(ligandE.getAttribute("structureId")); - } - RCSBLigand ligand = makeLigand(ligandE); - ligands.addLigand(ligand); - } - } - - ligandsList.add(ligands); - - } - } - - return ligandsList; - - } - - /** - * @return An {@link RCSBLigands} from the XML file at - * {@code "http://www.pdb.org/pdb/rest/describeMol?structureId=pdbId"}. This is the preferred factory - * method, unless a different URL or input source is required. - * @see RCSBDescriptionFactory#get(InputStream) - */ - public static List getFromPdbIds(List pdbIds) { - String[] x = new String[pdbIds.size()]; - pdbIds.toArray(x); - return getFromPdbIds(x); - } - - /** - * @return An {@link RCSBLigands} from the XML file at - * {@code "http://www.pdb.org/pdb/rest/describeMol?structureId=pdbId"}. This is the preferred factory - * method, unless a different URL or input source is required. - * @see RCSBDescriptionFactory#get(InputStream) - */ - public static RCSBLigands getFromPdbIds(String pdbId) { - InputStream is; - try { - URL url = new URL(PDB_URL_STUB + pdbId); - is = url.openConnection().getInputStream(); - } catch (IOException e) { - logger.warn("Couldn't open connection", e); - return null; - } - return getFromPdbId(is); - } - - /** - * @return An {@link RCSBLigands} from the XML file at - * {@code "http://www.pdb.org/pdb/rest/describeMol?structureId=pdbId"}. This is the preferred factory - * method, unless a different URL or input source is required. - * @see RCSBDescriptionFactory#get(InputStream) - */ - public static List getFromPdbIds(String... pdbIds) { - InputStream is; - StringBuilder sb = new StringBuilder(); - for (int i = 0; i < pdbIds.length; i++) { - if (i > 0) sb.append(","); - sb.append(pdbIds[i]); - } - try { - URL url = new URL(PDB_URL_STUB + sb.toString()); - is = url.openConnection().getInputStream(); - } catch (IOException e) { - logger.warn("Couldn't open connection", e); - return null; - } - return getFromPdbIds(is); - } - - private static RCSBLigand makeLigand(Element ligandE) { - RCSBLigand ligand = new RCSBLigand(); - ligand.setId(ligandE.getAttribute("chemicalID")); - ligand.setType(ligandE.getAttribute("type")); - ligand.setWeight(ReadUtils.toDouble(ligandE.getAttribute("molecularWeight"))); - Element element = null; - NodeList data = ligandE.getChildNodes(); - for (int i = 0; i < data.getLength(); i++) { - if (data.item(i).getNodeType() != 1) continue; - element = (Element) data.item(i); - if (element.getNodeName().equals("chemicalName")) { - ligand.setName(element.getTextContent()); - } else if (element.getNodeName().equals("formula")) { - ligand.setFormula(element.getTextContent()); - } else if (element.getNodeName().equals("InChIKey")) { - ligand.setInChIKey(element.getTextContent()); - } else if (element.getNodeName().equals("InChI")) { - ligand.setInChI(element.getTextContent()); - } else if (element.getNodeName().equals("smiles")) { - ligand.setSmiles(element.getTextContent()); - } - } - return ligand; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBMacromolecule.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBMacromolecule.java deleted file mode 100644 index 5ab13502fa..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBMacromolecule.java +++ /dev/null @@ -1,63 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 2012-11-20 - * Created by Douglas Myers-Turnbull - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.rcsb; - -import java.util.ArrayList; -import java.util.List; - -/** - * Corresponds to a macromolecule in an RCSB {@code describeMol} XML file. - * - * @see RCSB RESTful - * - * @author dmyerstu - * @since 3.0.6 - */ -public class RCSBMacromolecule { - - private List accessions; - private String name; - - public RCSBMacromolecule() { - accessions = new ArrayList(); - } - - public List getAccessions() { - return accessions; - } - - public String getName() { - return name; - } - - void addAccession(String e) { - accessions.add(e); - } - - void setName(String name) { - this.name = name; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBPolymer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBPolymer.java deleted file mode 100644 index 1d3113e73b..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBPolymer.java +++ /dev/null @@ -1,145 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 2012-11-20 - * Created by Douglas Myers-Turnbull - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.rcsb; - -import java.util.ArrayList; -import java.util.List; - -/** - * Corresponds to a polymer in a {@code describeMol} XML file. - * - * @see RCSB RESTful - * - * @author dmyerstu - * @since 3.0.6 - */ -public class RCSBPolymer { - - private List chains; - - private String description; - - private String enzClass; - - private Integer index; - - private Integer length; - - private RCSBMacromolecule molecule; - - private List synonyms; - - private RCSBTaxonomy taxonomy; - - private String type; - - private Double weight; - - public RCSBPolymer() { - chains = new ArrayList(); - synonyms = new ArrayList(); - } - - public List getChains() { - return chains; - } - - public String getDescription() { - return description; - } - - public String getEnzClass() { - return enzClass; - } - - public Integer getIndex() { - return index; - } - - public Integer getLength() { - return length; - } - - public RCSBMacromolecule getMolecule() { - return molecule; - } - - public List getSynonyms() { - return synonyms; - } - - public RCSBTaxonomy getTaxonomy() { - return taxonomy; - } - - public String getType() { - return type; - } - - public Double getWeight() { - return weight; - } - - void addChain(char chain) { - chains.add(chain); - } - - void addSynonym(String synonym) { - synonyms.add(synonym); - } - - void setDescription(String description) { - this.description = description; - } - - void setEnzClass(String enzClass) { - this.enzClass = enzClass; - } - - void setIndex(Integer index) { - this.index = index; - } - - void setLength(Integer length) { - this.length = length; - } - - void setMolecule(RCSBMacromolecule molecule) { - this.molecule = molecule; - } - - void setTaxonomy(RCSBTaxonomy taxonomy) { - this.taxonomy = taxonomy; - } - - void setType(String string) { - type = string; - } - - void setWeight(Double weight) { - this.weight = weight; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBTaxonomy.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBTaxonomy.java deleted file mode 100644 index 0f3c667c08..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBTaxonomy.java +++ /dev/null @@ -1,53 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 2012-11-20 - * Created by Douglas Myers-Turnbull - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.rcsb; - -/** - * Corresponds to a taxonomy in a {@code describeMol} XML file. - * - * @see RCSB RESTful - * - * @author dmyerstu - * @since 3.0.6 - */ -public class RCSBTaxonomy { - - private final int id; - private final String name; - - public RCSBTaxonomy(String name, int id) { - this.name = name; - this.id = id; - } - - public int getId() { - return id; - } - - public String getName() { - return name; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBUpdates.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBUpdates.java deleted file mode 100644 index b4860b2cf1..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/RCSBUpdates.java +++ /dev/null @@ -1,89 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.rcsb; - -import java.io.BufferedReader; -import java.io.IOException; -import java.io.InputStreamReader; -import java.net.URL; -import java.net.URLConnection; -import java.util.ArrayList; -import java.util.HashMap; -import java.util.List; -import java.util.Map; - -public class RCSBUpdates { - - // The URL for acquiring the data - public static final String baseURL = "http://ftp.rcsb.org/pub/pdb/data/status/latest/"; - - /** - * - * @return A map mapping each field (defined by a separate FTP file) to the PDB ids in the field. The possible fields - * are: added.models, added.nmr, added.pdb, added.sf, modified.cs, modified.models, modified.nmr, modified.pdb, modified.sf, - * obsolete.cs, obsolete.models, obsolete.nmr, obsolete.pdb, obsolete.sf - * @throws IOException - */ - public Map getUpdates() throws IOException{ - - Map outMap = new HashMap(); - // A list of files to get - String[] newStringList = {"added.models","added.nmr","added.pdb","added.sf","modified.cs","modified.models", - "modified.nmr","modified.pdb","modified.sf","obsolete.cs","obsolete.models","obsolete.nmr","obsolete.pdb","obsolete.sf"}; - for(String fileName: newStringList){ - String[] thisList = readURL(baseURL+""+fileName); - outMap.put(fileName, thisList); - } - return outMap; - - } - - - /** - * - * @param urlIn The url to be read - * @return A list of PDB ids as strings - * @throws IOException - */ - private String[] readURL(String urlIn) throws IOException{ - List outList = new ArrayList(); - // create a url object - URL url = new URL(urlIn); - - // create a urlconnection object - URLConnection urlConnection = url.openConnection(); - - // wrap the urlconnection in a bufferedreader - try (BufferedReader bufferedReader = new BufferedReader(new InputStreamReader(urlConnection.getInputStream()))) { - - String line; - - // read from the urlconnection via the bufferedreader - while ((line = bufferedReader.readLine()) != null) - { - outList.add(line); - } - - } - - return outList.toArray(new String[outList.size()]); - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/ReadUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/ReadUtils.java deleted file mode 100644 index ece82b16e3..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/rcsb/ReadUtils.java +++ /dev/null @@ -1,135 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 2013-06-13 - * Created by Douglas Myers-Turnbull - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.rcsb; - -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; -import org.w3c.dom.Document; -import org.w3c.dom.Node; -import org.w3c.dom.NodeList; -import org.xml.sax.SAXException; - -import javax.xml.parsers.DocumentBuilder; -import javax.xml.parsers.DocumentBuilderFactory; -import javax.xml.parsers.ParserConfigurationException; -import java.io.BufferedReader; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; - -/** - * Package-level static utilities for parsing XML. - * @author dmyerstu - */ -public class ReadUtils { - - private static final Logger logger = LoggerFactory.getLogger(ReadUtils.class); - - // this IS needed - private static boolean documentBuilderFactorySet = false; - - /** - * @param s - * @return {@code s}, or null if {@code s} is the empty string - */ - static String toStr(String s) { - if (s.isEmpty()) return null; - return s; - } - - /** - * @param stream - * @return A {@link NodeList} of top-level {@link Node Nodes} in {@code stream}. - * @throws IOException - */ - static NodeList getNodes(InputStream stream) throws IOException { - - if (!documentBuilderFactorySet) { // it's really stupid, but we have to do this - System.setProperty("javax.xml.parsers.DocumentBuilderFactory", - "com.sun.org.apache.xerces.internal.jaxp.DocumentBuilderFactoryImpl"); - documentBuilderFactorySet = true; - } - DocumentBuilderFactory builderFactory = DocumentBuilderFactory.newInstance(); - DocumentBuilder builder = null; - Document document = null; - try { - builder = builderFactory.newDocumentBuilder(); - } catch (ParserConfigurationException e) { - logger.warn("Couldn't configure parser", e); - stream.close(); - throw new IOException(e); - } - try { - document = builder.parse(stream); - } catch (SAXException e) { - stream.close(); - throw new IOException(e); - } - Node root = document.getDocumentElement(); - return root.getChildNodes(); - } - - static Double toDouble(String s) { - if (s.isEmpty()) return null; - try { - return Double.parseDouble(s); - } catch (NumberFormatException e) { - logger.warn(s + " is not a floating-point number", e); - } - return null; - } - - static Integer toInt(String s) { - if (s.isEmpty()) return null; - try { - return Integer.parseInt(s); - } catch (NumberFormatException e) { - logger.warn(s + " is not an integer", e); - } - return null; - } - - public static String convertStreamToString(InputStream stream){ - BufferedReader reader = new BufferedReader(new InputStreamReader(stream)); - StringBuilder sb = new StringBuilder(); - - String line = null; - try { - while ((line = reader.readLine()) != null) { - sb.append(line).append("\n"); - } - } catch (IOException e) { - logger.error("Couldn't convert stream to string", e); // TODO dmyersturnbull: method should throw; we shouldn't catch here - } finally { - try { - stream.close(); - } catch (IOException e) { - logger.warn("Can't close stream", e); - } - } - - return sb.toString(); - } -} From b3610759476dbcadcca2b875037513ca13212c9c Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Thu, 23 Jul 2020 21:14:00 -0700 Subject: [PATCH 199/821] Removing tests for rcsb legacy api code --- .../rcsb/RCSBDescriptionFactoryTest.java | 239 ------------------ .../rcsb/RCSBLigandsFactoryTest.java | 123 --------- 2 files changed, 362 deletions(-) delete mode 100644 biojava-structure/src/test/java/org/biojava/nbio/structure/rcsb/RCSBDescriptionFactoryTest.java delete mode 100644 biojava-structure/src/test/java/org/biojava/nbio/structure/rcsb/RCSBLigandsFactoryTest.java diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/rcsb/RCSBDescriptionFactoryTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/rcsb/RCSBDescriptionFactoryTest.java deleted file mode 100644 index bef0e232c1..0000000000 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/rcsb/RCSBDescriptionFactoryTest.java +++ /dev/null @@ -1,239 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 2012-11-20 - * Created by Douglas Myers-Turnbull - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.rcsb; - -import org.junit.Test; - -import java.io.File; -import java.io.FileInputStream; -import java.io.FileNotFoundException; -import java.util.List; - -import static org.junit.Assert.assertEquals; - -/** - * Tests {@link RCSBDescriptionFactory}. - * @author dmyerstu - * @since 3.0.6 - */ -public class RCSBDescriptionFactoryTest { - - private static final String TEST_DIR = "src/test/resources/"; - - /** - * Opens the file as a {@link FileInputStream}. Copied from ResourceList, which is not in biojava. - */ - private FileInputStream openStream(String filename) { - File file = new File(TEST_DIR + filename); - FileInputStream fis; - try { - fis = new FileInputStream(file); - } catch (FileNotFoundException e) { - throw new RuntimeException(e); - } - return fis; - } - - /** - * Tests on the live database. Just makes sure the resource can be found. - * If this test fails, it may be because the database changed. - */ - @Test - public void testUrl() { - RCSBDescriptionFactory.get("1w0p"); // just make sure it doesn't throw an exception - } - - /** - * Covers all the basic features, including EC numbers. Does not cover multiple polymers or multiple chains. - */ - @Test - public void test1() { - RCSBDescription description = RCSBDescriptionFactory.get(openStream("describeMol/1w0p.xml")); - - assertEquals("1W0P", description.getPdbId()); - List polymers = description.getPolymers(); - assertEquals(1, polymers.size()); - - RCSBPolymer polymer = polymers.get(0); - assertEquals("protein", polymer.getType()); - assertEquals(1, polymer.getIndex().intValue()); - assertEquals("SIALIDASE", polymer.getDescription()); - assertEquals("3.2.1.18", polymer.getEnzClass()); - assertEquals(781, polymer.getLength().intValue()); - assertEquals(85675.5, polymer.getWeight(), 0); - - List chains = polymer.getChains(); - assertEquals(1, chains.size()); - assertEquals('A', (char) chains.get(0)); - - List synonyms = polymer.getSynonyms(); - assertEquals(2, synonyms.size()); - assertEquals("NEURAMINIDASE", synonyms.get(0)); - assertEquals("NANASE", synonyms.get(1)); - - RCSBTaxonomy tax = polymer.getTaxonomy(); - assertEquals(666, tax.getId()); - assertEquals("Vibrio cholerae", tax.getName()); - - RCSBMacromolecule mol = polymer.getMolecule(); - assertEquals("Sialidase", mol.getName()); - List accessions = mol.getAccessions(); - assertEquals(4, accessions.size()); - assertEquals("A5F7A4", accessions.get(0)); - assertEquals("C3M1H8", accessions.get(1)); - assertEquals("P37060", accessions.get(2)); - assertEquals("Q9KR59", accessions.get(3)); - } - - /** - * What if we have a structureId but no polymers? - */ - @Test - public void testEmpty() { - RCSBDescription description = RCSBDescriptionFactory.get(openStream("describeMol/empty.xml")); - assertEquals("empty", description.getPdbId()); - List polymers = description.getPolymers(); - assertEquals(0, polymers.size()); - } - - /** - * What if we have polymers but no macroMolecule or chains? - * And what if a polymer contains no attributes? - */ - @Test - public void testAlmostEmpty() { - - RCSBDescription description = RCSBDescriptionFactory.get(openStream("describeMol/almost_empty.xml")); - assertEquals("almost_empty", description.getPdbId()); - List polymers = description.getPolymers(); - assertEquals(2, polymers.size()); - - RCSBPolymer polymer = polymers.get(0); - assertEquals("notype", polymer.getType()); - assertEquals(1, polymer.getIndex().intValue()); - assertEquals("really close to empty", polymer.getDescription()); - assertEquals(null, polymer.getEnzClass()); - assertEquals(10, polymer.getLength().intValue()); - assertEquals(0, polymer.getWeight(), 0); - - polymer = polymers.get(1); - assertEquals(null, polymer.getType()); // make sure these are null and not "" - assertEquals(null, polymer.getIndex()); - assertEquals(null, polymer.getDescription()); - assertEquals(null, polymer.getEnzClass()); - assertEquals(null, polymer.getLength()); - assertEquals(null, polymer.getWeight()); - - } - - /** - * Covers multiple polymers and multiple chains. - */ - @Test - public void test2() { - RCSBDescription description = RCSBDescriptionFactory.get(openStream("describeMol/4hhb.xml")); - assertEquals("4HHB", description.getPdbId()); - List polymers = description.getPolymers(); - assertEquals(2, polymers.size()); - - // first polymer - RCSBPolymer polymer = polymers.get(0); - assertEquals("protein", polymer.getType()); - assertEquals(1, polymer.getIndex().intValue()); - assertEquals("HEMOGLOBIN (DEOXY) (ALPHA CHAIN)", polymer.getDescription()); - assertEquals(null, polymer.getEnzClass()); - assertEquals(141, polymer.getLength().intValue()); - assertEquals(15150.5, polymer.getWeight(), 0); - - List chains = polymer.getChains(); - assertEquals(2, chains.size()); - assertEquals('A', (char) chains.get(0)); - assertEquals('C', (char) chains.get(1)); - - List synonyms = polymer.getSynonyms(); - assertEquals(0, synonyms.size()); - - RCSBTaxonomy tax = polymer.getTaxonomy(); - assertEquals(9606, tax.getId()); - assertEquals("Homo sapiens", tax.getName()); - - RCSBMacromolecule mol = polymer.getMolecule(); - assertEquals("Hemoglobin subunit alpha", mol.getName()); - List accessions = mol.getAccessions(); - assertEquals(8, accessions.size()); - assertEquals("P69905", accessions.get(0)); - assertEquals("P01922", accessions.get(1)); - assertEquals("Q1HDT5", accessions.get(2)); - assertEquals("Q3MIF5", accessions.get(3)); - assertEquals("Q53F97", accessions.get(4)); - assertEquals("Q96KF1", accessions.get(5)); - assertEquals("Q9NYR7", accessions.get(6)); - assertEquals("Q9UCM0", accessions.get(7)); - - // second polymer - polymer = polymers.get(1); - assertEquals("protein", polymer.getType()); - assertEquals(2, polymer.getIndex().intValue()); - assertEquals("HEMOGLOBIN (DEOXY) (BETA CHAIN)", polymer.getDescription()); - assertEquals(null, polymer.getEnzClass()); - assertEquals(146, polymer.getLength().intValue()); - assertEquals(15890.4, polymer.getWeight(), 0); - - chains = polymer.getChains(); - assertEquals(2, chains.size()); - assertEquals('B', (char) chains.get(0)); - assertEquals('D', (char) chains.get(1)); - - synonyms = polymer.getSynonyms(); - assertEquals(0, synonyms.size()); - - tax = polymer.getTaxonomy(); - assertEquals(9606, tax.getId()); - assertEquals("Homo sapiens", tax.getName()); - - mol = polymer.getMolecule(); - assertEquals("Hemoglobin subunit beta", mol.getName()); - accessions = mol.getAccessions(); - assertEquals(16, accessions.size()); - assertEquals("P68871", accessions.get(0)); - assertEquals("A4GX73", accessions.get(1)); - assertEquals("B2ZUE0", accessions.get(2)); - assertEquals("P02023", accessions.get(3)); - assertEquals("Q13852", accessions.get(4)); - assertEquals("Q14481", accessions.get(5)); - assertEquals("Q14510", accessions.get(6)); - assertEquals("Q45KT0", accessions.get(7)); - assertEquals("Q549N7", accessions.get(8)); - assertEquals("Q6FI08", accessions.get(9)); - assertEquals("Q6R7N2", accessions.get(10)); - assertEquals("Q8IZI1", accessions.get(11)); - assertEquals("Q9BX96", accessions.get(12)); - assertEquals("Q9UCD6", accessions.get(13)); - assertEquals("Q9UCP8", accessions.get(14)); - assertEquals("Q9UCP9", accessions.get(15)); - - } - -} diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/rcsb/RCSBLigandsFactoryTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/rcsb/RCSBLigandsFactoryTest.java deleted file mode 100644 index b5ba6869c0..0000000000 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/rcsb/RCSBLigandsFactoryTest.java +++ /dev/null @@ -1,123 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 2013-06-24 - * Created by Douglas Myers-Turnbull - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.rcsb; - -import org.junit.Test; - -import java.io.InputStream; -import java.util.List; - -import static org.junit.Assert.assertEquals; - - -/** - * Tests {@link RCSBLigandsFactory}. - * @author dmyerstu - */ -public class RCSBLigandsFactoryTest { - - /** - * Opens the file as a {@link InputStream}. - */ - private InputStream openStream(String filename) { - InputStream is = this.getClass().getClassLoader().getResourceAsStream(filename); - - return is; - } - - /** - * Tests on the live database. Just makes sure the resource can be found. - * If this test fails, it may be because the database changed. - */ - @Test - public void testFromPdbIdUrl() { - RCSBLigands ligands = RCSBLigandsFactory.getFromPdbId("1w0p"); - assertEquals(4, ligands.getLigands().size()); - assertEquals("CA", ligands.getLigands().get(0).getId()); - } - - /** - * Tests on the live database. Just makes sure the resource can be found. - * If this test fails, it may be because the database changed. - */ - @Test - public void testFromPdbIdsUrl() { - List ligands = RCSBLigandsFactory.getFromPdbIds("1w0p", "4hhb"); - assertEquals(4, ligands.get(0).getLigands().size()); - assertEquals("CA", ligands.get(0).getLigands().get(0).getId()); - assertEquals(2, ligands.get(1).getLigands().size()); - assertEquals("HEM", ligands.get(1).getLigands().get(0).getId()); - assertEquals("C34 H32 Fe N4 O4", ligands.get(1).getLigands().get(0).getFormula()); - assertEquals("O4 P -3", ligands.get(1).getLigands().get(1).getFormula()); - } - - @Test - public void testFromPdbId() { - RCSBLigands description = RCSBLigandsFactory.getFromPdbId(openStream("describeMol/4hhb_ligands.xml")); - - assertEquals("4HHB", description.getPdbId()); - List ligands = description.getLigands(); - assertEquals(2, ligands.size()); - - RCSBLigand ligand; - - ligand = ligands.get(0); - assertEquals("HEM", ligand.getId()); - assertEquals("non-polymer", ligand.getType()); - assertEquals(616.487, ligand.getWeight(), 0.0); - assertEquals("PROTOPORPHYRIN IX CONTAINING FE", ligand.getName()); - assertEquals("C34 H32 FE N4 O4", ligand.getFormula()); - assertEquals("FEDYMSUPMFCVOD-UJJXFSCMSA-N", ligand.getInChIKey()); - assertEquals("InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-", ligand.getInChI()); - assertEquals("Cc1c2/cc/3\\nc(/cc\\4/c(c(/c(/[nH]4)c/c5n/c(c\\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C", ligand.getSmiles()); - - ligand = ligands.get(1); - assertEquals("PO4", ligand.getId()); - assertEquals("non-polymer", ligand.getType()); - assertEquals(94.971, ligand.getWeight(), 0.0); - assertEquals("PHOSPHATE ION", ligand.getName()); - assertEquals("O4 P -3", ligand.getFormula()); - assertEquals("NBIIXXVUZAFLBC-UHFFFAOYSA-K", ligand.getInChIKey()); - assertEquals("InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3", ligand.getInChI()); - assertEquals("[O-]P(=O)([O-])[O-]", ligand.getSmiles()); - } - - @Test - public void testFromHeteroAtomIdsUrl() { - List ligands = RCSBLigandsFactory.getFromHeteroAtomIds("NAG", "EBW"); - assertEquals("Wrong number of ligands", 2, ligands.size()); - assertEquals("Wrong formula", "C8 H15 N O6", ligands.get(0).getFormula()); - assertEquals("Wrong formula", "C27 H38 N2 O 2", ligands.get(1).getFormula()); - } - - @Test - public void testFromHeteroAtomIdUrl() { - List ligands = RCSBLigandsFactory.getFromHeteroAtomIds("NAG"); - assertEquals("Wrong number of ligands", 1, ligands.size()); - RCSBLigand ligand = ligands.get(0); - assertEquals("Wrong formula", "C8 H15 N O6", ligand.getFormula()); - } - -} From e647acb9bc0f0fd29deb77661fc36ed8653211c1 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Thu, 23 Jul 2020 21:23:39 -0700 Subject: [PATCH 200/821] Removing test files related to removed tests --- .../src/test/resources/describeMol/1w0p.xml | 18 -------- .../src/test/resources/describeMol/4hhb.xml | 45 ------------------- .../resources/describeMol/4hhb_ligands.xml | 19 -------- .../resources/describeMol/almost_empty.xml | 12 ----- .../test/resources/describeMol/diff_ecs.xml | 17 ------- .../src/test/resources/describeMol/empty.xml | 5 --- .../test/resources/describeMol/same_ecs.xml | 17 ------- 7 files changed, 133 deletions(-) delete mode 100644 biojava-structure/src/test/resources/describeMol/1w0p.xml delete mode 100644 biojava-structure/src/test/resources/describeMol/4hhb.xml delete mode 100644 biojava-structure/src/test/resources/describeMol/4hhb_ligands.xml delete mode 100644 biojava-structure/src/test/resources/describeMol/almost_empty.xml delete mode 100644 biojava-structure/src/test/resources/describeMol/diff_ecs.xml delete mode 100644 biojava-structure/src/test/resources/describeMol/empty.xml delete mode 100644 biojava-structure/src/test/resources/describeMol/same_ecs.xml diff --git a/biojava-structure/src/test/resources/describeMol/1w0p.xml b/biojava-structure/src/test/resources/describeMol/1w0p.xml deleted file mode 100644 index 4f3e2b60fb..0000000000 --- a/biojava-structure/src/test/resources/describeMol/1w0p.xml +++ /dev/null @@ -1,18 +0,0 @@ - - - - - - - - - - - - - - - - - - \ No newline at end of file diff --git a/biojava-structure/src/test/resources/describeMol/4hhb.xml b/biojava-structure/src/test/resources/describeMol/4hhb.xml deleted file mode 100644 index 72c17fe690..0000000000 --- a/biojava-structure/src/test/resources/describeMol/4hhb.xml +++ /dev/null @@ -1,45 +0,0 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - \ No newline at end of file diff --git a/biojava-structure/src/test/resources/describeMol/4hhb_ligands.xml b/biojava-structure/src/test/resources/describeMol/4hhb_ligands.xml deleted file mode 100644 index 59105a5385..0000000000 --- a/biojava-structure/src/test/resources/describeMol/4hhb_ligands.xml +++ /dev/null @@ -1,19 +0,0 @@ - - - - - PROTOPORPHYRIN IX CONTAINING FE - C34 H32 FE N4 O4 - FEDYMSUPMFCVOD-UJJXFSCMSA-N - InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- - Cc1c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C - - - PHOSPHATE ION - O4 P -3 - NBIIXXVUZAFLBC-UHFFFAOYSA-K - InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 - [O-]P(=O)([O-])[O-] - - - diff --git a/biojava-structure/src/test/resources/describeMol/almost_empty.xml b/biojava-structure/src/test/resources/describeMol/almost_empty.xml deleted file mode 100644 index 484c264a14..0000000000 --- a/biojava-structure/src/test/resources/describeMol/almost_empty.xml +++ /dev/null @@ -1,12 +0,0 @@ - - - - - - - - - - - - diff --git a/biojava-structure/src/test/resources/describeMol/diff_ecs.xml b/biojava-structure/src/test/resources/describeMol/diff_ecs.xml deleted file mode 100644 index b5f56d0d7e..0000000000 --- a/biojava-structure/src/test/resources/describeMol/diff_ecs.xml +++ /dev/null @@ -1,17 +0,0 @@ - - - - - - - - - - - - - - - - - diff --git a/biojava-structure/src/test/resources/describeMol/empty.xml b/biojava-structure/src/test/resources/describeMol/empty.xml deleted file mode 100644 index 2123a8423a..0000000000 --- a/biojava-structure/src/test/resources/describeMol/empty.xml +++ /dev/null @@ -1,5 +0,0 @@ - - - - - diff --git a/biojava-structure/src/test/resources/describeMol/same_ecs.xml b/biojava-structure/src/test/resources/describeMol/same_ecs.xml deleted file mode 100644 index b667fd20c6..0000000000 --- a/biojava-structure/src/test/resources/describeMol/same_ecs.xml +++ /dev/null @@ -1,17 +0,0 @@ - - - - - - - - - - - - - - - - - From 377569f8648b395db64338453a6c219396314eb7 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Thu, 23 Jul 2020 21:33:50 -0700 Subject: [PATCH 201/821] Removing rcsb validation reports parsing code and tests --- .../structure/validation/AngleOutlier.java | 254 ---- .../structure/validation/BondOutlier.java | 225 --- .../nbio/structure/validation/Clash.java | 170 --- .../nbio/structure/validation/Entry.java | 1299 ----------------- .../validation/ModelledSubgroup.java | 981 ------------- .../structure/validation/MogAngleOutlier.java | 248 ---- .../structure/validation/MogBondOutlier.java | 248 ---- .../structure/validation/ObjectFactory.java | 147 -- .../nbio/structure/validation/Program.java | 143 -- .../nbio/structure/validation/Programs.java | 94 -- .../nbio/structure/validation/SymmClash.java | 199 --- .../WwPDBValidationInformation.java | 154 -- .../TestValidationReportParsing.java | 110 -- .../resources/validation/3vtq-valdata.xml.gz | Bin 11154 -> 0 bytes .../resources/validation/3vtu-valdata.xml.gz | Bin 11286 -> 0 bytes .../resources/validation/3vtv-valdata.xml.gz | Bin 10343 -> 0 bytes .../resources/validation/3vtw-valdata.xml.gz | Bin 20534 -> 0 bytes .../resources/validation/3vu8-valdata.xml.gz | Bin 24179 -> 0 bytes .../resources/validation/3vua-valdata.xml.gz | Bin 40822 -> 0 bytes .../resources/validation/3vv5-valdata.xml.gz | Bin 22960 -> 0 bytes .../resources/validation/3vvd-valdata.xml.gz | Bin 24768 -> 0 bytes .../resources/validation/3vve-valdata.xml.gz | Bin 24747 -> 0 bytes .../resources/validation/3vvf-valdata.xml.gz | Bin 21436 -> 0 bytes .../resources/validation/3vw5-valdata.xml.gz | Bin 43981 -> 0 bytes .../resources/validation/3w1f-valdata.xml.gz | Bin 11704 -> 0 bytes .../resources/validation/3w5p-valdata.xml.gz | Bin 13781 -> 0 bytes .../resources/validation/3w5q-valdata.xml.gz | Bin 13649 -> 0 bytes .../resources/validation/3w5r-valdata.xml.gz | Bin 12932 -> 0 bytes .../resources/validation/3w5t-valdata.xml.gz | Bin 13649 -> 0 bytes .../resources/validation/3w9y-valdata.xml.gz | Bin 8534 -> 0 bytes .../resources/validation/3wcp-valdata.xml.gz | Bin 40434 -> 0 bytes .../resources/validation/3zjh-valdata.xml.gz | Bin 21181 -> 0 bytes .../resources/validation/3zji-valdata.xml.gz | Bin 22163 -> 0 bytes .../resources/validation/3zjj-valdata.xml.gz | Bin 34089 -> 0 bytes .../resources/validation/3zjm-valdata.xml.gz | Bin 34412 -> 0 bytes .../resources/validation/3zjn-valdata.xml.gz | Bin 26368 -> 0 bytes .../resources/validation/3zjo-valdata.xml.gz | Bin 21103 -> 0 bytes .../resources/validation/3zjp-valdata.xml.gz | Bin 13107 -> 0 bytes .../resources/validation/3zjq-valdata.xml.gz | Bin 20391 -> 0 bytes .../resources/validation/3zjr-valdata.xml.gz | Bin 11047 -> 0 bytes .../resources/validation/3zjs-valdata.xml.gz | Bin 19225 -> 0 bytes .../resources/validation/3znv-valdata.xml.gz | Bin 16477 -> 0 bytes .../resources/validation/3znx-valdata.xml.gz | Bin 15848 -> 0 bytes .../resources/validation/3znz-valdata.xml.gz | Bin 20818 -> 0 bytes .../resources/validation/3zoi-valdata.xml.gz | Bin 19978 -> 0 bytes .../resources/validation/3zoj-valdata.xml.gz | Bin 14441 -> 0 bytes .../resources/validation/3zpy-valdata.xml.gz | Bin 35038 -> 0 bytes 47 files changed, 4272 deletions(-) delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/AngleOutlier.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/BondOutlier.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Clash.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Entry.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/ModelledSubgroup.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/MogAngleOutlier.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/MogBondOutlier.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/ObjectFactory.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Program.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Programs.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/SymmClash.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/validation/WwPDBValidationInformation.java delete mode 100644 biojava-structure/src/test/java/org/biojava/nbio/structure/validation/TestValidationReportParsing.java delete mode 100644 biojava-structure/src/test/resources/validation/3vtq-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3vtu-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3vtv-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3vtw-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3vu8-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3vua-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3vv5-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3vvd-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3vve-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3vvf-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3vw5-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3w1f-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3w5p-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3w5q-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3w5r-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3w5t-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3w9y-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3wcp-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zjh-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zji-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zjj-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zjm-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zjn-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zjo-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zjp-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zjq-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zjr-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zjs-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3znv-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3znx-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3znz-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zoi-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zoj-valdata.xml.gz delete mode 100644 biojava-structure/src/test/resources/validation/3zpy-valdata.xml.gz diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/AngleOutlier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/AngleOutlier.java deleted file mode 100644 index 3893267119..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/AngleOutlier.java +++ /dev/null @@ -1,254 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.*; -import javax.xml.bind.annotation.adapters.CollapsedStringAdapter; -import javax.xml.bind.annotation.adapters.XmlJavaTypeAdapter; -import java.math.BigDecimal; - - -/** - *

    Java class for anonymous complex type. - * - *

    The following schema fragment specifies the expected content contained within this class. - * - * 

    - * <complexType>
- *   <complexContent>
- *     <restriction base="{http://www.w3.org/2001/XMLSchema}anyType">
- *       <attribute name="atom0" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="atom1" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="atom2" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="mean" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="obs" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="stdev" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="z" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *     </restriction>
- *   </complexContent>
- * </complexType>
- *
    - * - * - */ -@XmlAccessorType(XmlAccessType.FIELD) -@XmlType(name = "") -@XmlRootElement(name = "angle-outlier") -public class AngleOutlier { - - @XmlAttribute(name = "atom0", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String atom0; - @XmlAttribute(name = "atom1", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String atom1; - @XmlAttribute(name = "atom2", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String atom2; - @XmlAttribute(name = "mean", required = true) - protected BigDecimal mean; - @XmlAttribute(name = "obs", required = true) - protected BigDecimal obs; - @XmlAttribute(name = "stdev", required = true) - protected BigDecimal stdev; - @XmlAttribute(name = "z", required = true) - protected BigDecimal z; - - /** - * Gets the value of the atom0 property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getAtom0() { - return atom0; - } - - /** - * Sets the value of the atom0 property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setAtom0(String value) { - this.atom0 = value; - } - - /** - * Gets the value of the atom1 property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getAtom1() { - return atom1; - } - - /** - * Sets the value of the atom1 property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setAtom1(String value) { - this.atom1 = value; - } - - /** - * Gets the value of the atom2 property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getAtom2() { - return atom2; - } - - /** - * Sets the value of the atom2 property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setAtom2(String value) { - this.atom2 = value; - } - - /** - * Gets the value of the mean property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getMean() { - return mean; - } - - /** - * Sets the value of the mean property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setMean(BigDecimal value) { - this.mean = value; - } - - /** - * Gets the value of the obs property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getObs() { - return obs; - } - - /** - * Sets the value of the obs property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setObs(BigDecimal value) { - this.obs = value; - } - - /** - * Gets the value of the stdev property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getStdev() { - return stdev; - } - - /** - * Sets the value of the stdev property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setStdev(BigDecimal value) { - this.stdev = value; - } - - /** - * Gets the value of the z property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getZ() { - return z; - } - - /** - * Sets the value of the z property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setZ(BigDecimal value) { - this.z = value; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/BondOutlier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/BondOutlier.java deleted file mode 100644 index b91a4d6653..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/BondOutlier.java +++ /dev/null @@ -1,225 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.*; -import javax.xml.bind.annotation.adapters.CollapsedStringAdapter; -import javax.xml.bind.annotation.adapters.XmlJavaTypeAdapter; -import java.math.BigDecimal; - - -/** - *

    Java class for anonymous complex type. - * - *

    The following schema fragment specifies the expected content contained within this class. - * - * 

    - * <complexType>
- *   <complexContent>
- *     <restriction base="{http://www.w3.org/2001/XMLSchema}anyType">
- *       <attribute name="atom0" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="atom1" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="mean" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="obs" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="stdev" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="z" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *     </restriction>
- *   </complexContent>
- * </complexType>
- *
    - * - * - */ -@XmlAccessorType(XmlAccessType.FIELD) -@XmlType(name = "") -@XmlRootElement(name = "bond-outlier") -public class BondOutlier { - - @XmlAttribute(name = "atom0", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String atom0; - @XmlAttribute(name = "atom1", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String atom1; - @XmlAttribute(name = "mean", required = true) - protected BigDecimal mean; - @XmlAttribute(name = "obs", required = true) - protected BigDecimal obs; - @XmlAttribute(name = "stdev", required = true) - protected BigDecimal stdev; - @XmlAttribute(name = "z", required = true) - protected BigDecimal z; - - /** - * Gets the value of the atom0 property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getAtom0() { - return atom0; - } - - /** - * Sets the value of the atom0 property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setAtom0(String value) { - this.atom0 = value; - } - - /** - * Gets the value of the atom1 property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getAtom1() { - return atom1; - } - - /** - * Sets the value of the atom1 property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setAtom1(String value) { - this.atom1 = value; - } - - /** - * Gets the value of the mean property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getMean() { - return mean; - } - - /** - * Sets the value of the mean property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setMean(BigDecimal value) { - this.mean = value; - } - - /** - * Gets the value of the obs property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getObs() { - return obs; - } - - /** - * Sets the value of the obs property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setObs(BigDecimal value) { - this.obs = value; - } - - /** - * Gets the value of the stdev property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getStdev() { - return stdev; - } - - /** - * Sets the value of the stdev property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setStdev(BigDecimal value) { - this.stdev = value; - } - - /** - * Gets the value of the z property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getZ() { - return z; - } - - /** - * Sets the value of the z property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setZ(BigDecimal value) { - this.z = value; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Clash.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Clash.java deleted file mode 100644 index c1c0d14f60..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Clash.java +++ /dev/null @@ -1,170 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.*; -import javax.xml.bind.annotation.adapters.CollapsedStringAdapter; -import javax.xml.bind.annotation.adapters.XmlJavaTypeAdapter; -import java.math.BigDecimal; -import java.math.BigInteger; - - -/** - *

    Java class for anonymous complex type. - * - *

    The following schema fragment specifies the expected content contained within this class. - * - * 

    - * <complexType>
- *   <complexContent>
- *     <restriction base="{http://www.w3.org/2001/XMLSchema}anyType">
- *       <attribute name="atom" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="cid" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="clashmag" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="dist" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *     </restriction>
- *   </complexContent>
- * </complexType>
- *
    - * - * - */ -@XmlAccessorType(XmlAccessType.FIELD) -@XmlType(name = "") -@XmlRootElement(name = "clash") -public class Clash { - - @XmlAttribute(name = "atom", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String atom; - @XmlAttribute(name = "cid", required = true) - protected BigInteger cid; - @XmlAttribute(name = "clashmag", required = true) - protected BigDecimal clashmag; - @XmlAttribute(name = "dist", required = true) - protected BigDecimal dist; - - /** - * Gets the value of the atom property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getAtom() { - return atom; - } - - /** - * Sets the value of the atom property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setAtom(String value) { - this.atom = value; - } - - /** - * Gets the value of the cid property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getCid() { - return cid; - } - - /** - * Sets the value of the cid property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setCid(BigInteger value) { - this.cid = value; - } - - /** - * Gets the value of the clashmag property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getClashmag() { - return clashmag; - } - - /** - * Sets the value of the clashmag property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setClashmag(BigDecimal value) { - this.clashmag = value; - } - - /** - * Gets the value of the dist property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getDist() { - return dist; - } - - /** - * Sets the value of the dist property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setDist(BigDecimal value) { - this.dist = value; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Entry.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Entry.java deleted file mode 100644 index 0c392d437b..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Entry.java +++ /dev/null @@ -1,1299 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.*; -import javax.xml.bind.annotation.adapters.CollapsedStringAdapter; -import javax.xml.bind.annotation.adapters.XmlJavaTypeAdapter; -import java.math.BigDecimal; -import java.math.BigInteger; - - -/** - *

    Java class for anonymous complex type. - * - *

    The following schema fragment specifies the expected content contained within this class. - * - * 

    - * <complexType>
- *   <complexContent>
- *     <restriction base="{http://www.w3.org/2001/XMLSchema}anyType">
- *       <attribute name="CCP4version" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="DCC_R" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="DCC_Rfree" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="DCC_refinement_program" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="DataAnisotropy" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="DataCompleteness" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="EDS_R" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="EDS_resolution" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="EDS_resolution_low" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="Fo_Fc_correlation" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="IoverSigma" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="PDB-revision-number" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="RefmacVersion" use="required" type="{http://www.w3.org/2001/XMLSchema}NMTOKEN" />
- *       <attribute name="RestypesNotcheckedForBondAngleGeometry" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="TransNCS" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="TwinFraction" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="TwinL" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="TwinL2" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="WilsonBaniso" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="WilsonBestimate" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="XMLcreationDate" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="absolute-percentile-clashscore" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="absolute-percentile-percent-RSRZ-outliers" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="absolute-percentile-percent-rama-outliers" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="absolute-percentile-percent-rota-outliers" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="acentric_outliers" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="attemptedValidationSteps" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="bulk_solvent_b" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="bulk_solvent_k" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="centric_outliers" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="clashscore" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="num-H-reduce" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="num-free-reflections" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="numMillerIndices" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="percent-RSRZ-outliers" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="percent-free-reflections" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="percent-rama-outliers" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="percent-rota-outliers" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="relative-percentile-clashscore" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="relative-percentile-percent-RSRZ-outliers" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="relative-percentile-percent-rama-outliers" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="relative-percentile-percent-rota-outliers" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="xtriage_input_columns" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *     </restriction>
- *   </complexContent>
- * </complexType>
- *
    - * - * - */ -@XmlAccessorType(XmlAccessType.FIELD) -@XmlType(name = "") -@XmlRootElement(name = "Entry") -public class Entry { - - @XmlAttribute(name = "CCP4version", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String ccp4Version; - @XmlAttribute(name = "DCC_R", required = true) - protected BigDecimal dccr; - @XmlAttribute(name = "DCC_Rfree", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String dccRfree; - @XmlAttribute(name = "DCC_refinement_program", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String dccRefinementProgram; - @XmlAttribute(name = "DataAnisotropy", required = true) - protected BigDecimal dataAnisotropy; - @XmlAttribute(name = "DataCompleteness", required = true) - protected BigDecimal dataCompleteness; - @XmlAttribute(name = "EDS_R", required = true) - protected BigDecimal edsr; - @XmlAttribute(name = "EDS_resolution", required = true) - protected BigDecimal edsResolution; - @XmlAttribute(name = "EDS_resolution_low", required = true) - protected BigDecimal edsResolutionLow; - @XmlAttribute(name = "Fo_Fc_correlation", required = true) - protected BigDecimal foFcCorrelation; - @XmlAttribute(name = "IoverSigma", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String ioverSigma; - @XmlAttribute(name = "PDB-revision-number", required = true) - protected BigInteger pdbRevisionNumber; - @XmlAttribute(name = "RefmacVersion", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NMTOKEN") - protected String refmacVersion; - @XmlAttribute(name = "RestypesNotcheckedForBondAngleGeometry", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String restypesNotcheckedForBondAngleGeometry; - @XmlAttribute(name = "TransNCS", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String transNCS; - @XmlAttribute(name = "TwinFraction", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String twinFraction; - @XmlAttribute(name = "TwinL", required = true) - protected BigDecimal twinL; - @XmlAttribute(name = "TwinL2", required = true) - protected BigDecimal twinL2; - @XmlAttribute(name = "WilsonBaniso", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String wilsonBaniso; - @XmlAttribute(name = "WilsonBestimate", required = true) - protected BigDecimal wilsonBestimate; - @XmlAttribute(name = "XMLcreationDate", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String xmLcreationDate; - @XmlAttribute(name = "absolute-percentile-clashscore", required = true) - protected BigDecimal absolutePercentileClashscore; - @XmlAttribute(name = "absolute-percentile-percent-RSRZ-outliers", required = true) - protected BigDecimal absolutePercentilePercentRSRZOutliers; - @XmlAttribute(name = "absolute-percentile-percent-rama-outliers", required = true) - protected BigDecimal absolutePercentilePercentRamaOutliers; - @XmlAttribute(name = "absolute-percentile-percent-rota-outliers", required = true) - protected BigDecimal absolutePercentilePercentRotaOutliers; - - @XmlAttribute(name = "absolute-percentile-DCC_Rfree", required = false) - protected BigDecimal absolutePercentileDCCRfree; - @XmlAttribute(name = "relative-percentile-DCC_Rfree", required = false) - protected BigDecimal relativePercentileDCCRfree; - - - @XmlAttribute(name = "RNAsuiteness", required = false) - protected BigDecimal rnaSuiteness; - - @XmlAttribute(name = "absolute-percentile-RNAsuiteness", required = false) - protected BigDecimal absolutePercentialRNAsuiteness; - - @XmlAttribute(name = "relative-percentile-RNAsuiteness", required = false) - protected BigDecimal relativePercentileRNAsuiteness; - - - @XmlAttribute(name = "acentric_outliers", required = true) - protected BigInteger acentricOutliers; - @XmlAttribute(name = "attemptedValidationSteps", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String attemptedValidationSteps; - @XmlAttribute(name = "bulk_solvent_b", required = true) - protected BigDecimal bulkSolventB; - @XmlAttribute(name = "bulk_solvent_k", required = true) - protected BigDecimal bulkSolventK; - @XmlAttribute(name = "centric_outliers", required = true) - protected BigInteger centricOutliers; - @XmlAttribute(name = "clashscore", required = true) - protected BigDecimal clashscore; - @XmlAttribute(name = "num-H-reduce", required = true) - protected BigInteger numHReduce; - @XmlAttribute(name = "num-free-reflections", required = true) - protected BigInteger numFreeReflections; - @XmlAttribute(name = "numMillerIndices", required = true) - protected BigInteger numMillerIndices; - @XmlAttribute(name = "percent-RSRZ-outliers", required = true) - protected BigDecimal percentRSRZOutliers; - @XmlAttribute(name = "percent-free-reflections", required = true) - protected BigDecimal percentFreeReflections; - @XmlAttribute(name = "percent-rama-outliers", required = true) - protected BigDecimal percentRamaOutliers; - @XmlAttribute(name = "percent-rota-outliers", required = true) - protected BigDecimal percentRotaOutliers; - @XmlAttribute(name = "relative-percentile-clashscore", required = true) - protected BigDecimal relativePercentileClashscore; - @XmlAttribute(name = "relative-percentile-percent-RSRZ-outliers", required = true) - protected BigDecimal relativePercentilePercentRSRZOutliers; - @XmlAttribute(name = "relative-percentile-percent-rama-outliers", required = true) - protected BigDecimal relativePercentilePercentRamaOutliers; - @XmlAttribute(name = "relative-percentile-percent-rota-outliers", required = true) - protected BigDecimal relativePercentilePercentRotaOutliers; - @XmlAttribute(name = "xtriage_input_columns", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String xtriageInputColumns; - - /** - * Gets the value of the ccp4Version property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getCCP4Version() { - return ccp4Version; - } - - /** - * Sets the value of the ccp4Version property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setCCP4Version(String value) { - this.ccp4Version = value; - } - - /** - * Gets the value of the dccr property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getDCCR() { - return dccr; - } - - /** - * Sets the value of the dccr property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setDCCR(BigDecimal value) { - this.dccr = value; - } - - /** - * Gets the value of the dccRfree property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getDCCRfree() { - return dccRfree; - } - - /** - * Sets the value of the dccRfree property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setDCCRfree(String value) { - this.dccRfree = value; - } - - /** - * Gets the value of the dccRefinementProgram property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getDCCRefinementProgram() { - return dccRefinementProgram; - } - - /** - * Sets the value of the dccRefinementProgram property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setDCCRefinementProgram(String value) { - this.dccRefinementProgram = value; - } - - /** - * Gets the value of the dataAnisotropy property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getDataAnisotropy() { - return dataAnisotropy; - } - - /** - * Sets the value of the dataAnisotropy property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setDataAnisotropy(BigDecimal value) { - this.dataAnisotropy = value; - } - - /** - * Gets the value of the dataCompleteness property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getDataCompleteness() { - return dataCompleteness; - } - - /** - * Sets the value of the dataCompleteness property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setDataCompleteness(BigDecimal value) { - this.dataCompleteness = value; - } - - /** - * Gets the value of the edsr property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getEDSR() { - return edsr; - } - - /** - * Sets the value of the edsr property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setEDSR(BigDecimal value) { - this.edsr = value; - } - - /** - * Gets the value of the edsResolution property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getEDSResolution() { - return edsResolution; - } - - /** - * Sets the value of the edsResolution property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setEDSResolution(BigDecimal value) { - this.edsResolution = value; - } - - /** - * Gets the value of the edsResolutionLow property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getEDSResolutionLow() { - return edsResolutionLow; - } - - /** - * Sets the value of the edsResolutionLow property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setEDSResolutionLow(BigDecimal value) { - this.edsResolutionLow = value; - } - - /** - * Gets the value of the foFcCorrelation property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getFoFcCorrelation() { - return foFcCorrelation; - } - - /** - * Sets the value of the foFcCorrelation property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setFoFcCorrelation(BigDecimal value) { - this.foFcCorrelation = value; - } - - /** - * Gets the value of the ioverSigma property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getIoverSigma() { - return ioverSigma; - } - - /** - * Sets the value of the ioverSigma property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setIoverSigma(String value) { - this.ioverSigma = value; - } - - /** - * Gets the value of the pdbRevisionNumber property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getPDBRevisionNumber() { - return pdbRevisionNumber; - } - - /** - * Sets the value of the pdbRevisionNumber property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setPDBRevisionNumber(BigInteger value) { - this.pdbRevisionNumber = value; - } - - /** - * Gets the value of the refmacVersion property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getRefmacVersion() { - return refmacVersion; - } - - /** - * Sets the value of the refmacVersion property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setRefmacVersion(String value) { - this.refmacVersion = value; - } - - /** - * Gets the value of the restypesNotcheckedForBondAngleGeometry property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getRestypesNotcheckedForBondAngleGeometry() { - return restypesNotcheckedForBondAngleGeometry; - } - - /** - * Sets the value of the restypesNotcheckedForBondAngleGeometry property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setRestypesNotcheckedForBondAngleGeometry(String value) { - this.restypesNotcheckedForBondAngleGeometry = value; - } - - /** - * Gets the value of the transNCS property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getTransNCS() { - return transNCS; - } - - /** - * Sets the value of the transNCS property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setTransNCS(String value) { - this.transNCS = value; - } - - /** - * Gets the value of the twinFraction property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getTwinFraction() { - return twinFraction; - } - - /** - * Sets the value of the twinFraction property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setTwinFraction(String value) { - this.twinFraction = value; - } - - /** - * Gets the value of the twinL property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getTwinL() { - return twinL; - } - - /** - * Sets the value of the twinL property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setTwinL(BigDecimal value) { - this.twinL = value; - } - - /** - * Gets the value of the twinL2 property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getTwinL2() { - return twinL2; - } - - /** - * Sets the value of the twinL2 property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setTwinL2(BigDecimal value) { - this.twinL2 = value; - } - - /** - * Gets the value of the wilsonBaniso property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getWilsonBaniso() { - return wilsonBaniso; - } - - /** - * Sets the value of the wilsonBaniso property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setWilsonBaniso(String value) { - this.wilsonBaniso = value; - } - - /** - * Gets the value of the wilsonBestimate property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getWilsonBestimate() { - return wilsonBestimate; - } - - /** - * Sets the value of the wilsonBestimate property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setWilsonBestimate(BigDecimal value) { - this.wilsonBestimate = value; - } - - /** - * Gets the value of the xmLcreationDate property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getXMLcreationDate() { - return xmLcreationDate; - } - - /** - * Sets the value of the xmLcreationDate property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setXMLcreationDate(String value) { - this.xmLcreationDate = value; - } - - /** - * Gets the value of the absolutePercentileClashscore property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getAbsolutePercentileClashscore() { - return absolutePercentileClashscore; - } - - /** - * Sets the value of the absolutePercentileClashscore property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setAbsolutePercentileClashscore(BigDecimal value) { - this.absolutePercentileClashscore = value; - } - - /** - * Gets the value of the absolutePercentilePercentRSRZOutliers property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getAbsolutePercentilePercentRSRZOutliers() { - return absolutePercentilePercentRSRZOutliers; - } - - /** - * Sets the value of the absolutePercentilePercentRSRZOutliers property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setAbsolutePercentilePercentRSRZOutliers(BigDecimal value) { - this.absolutePercentilePercentRSRZOutliers = value; - } - - /** - * Gets the value of the absolutePercentilePercentRamaOutliers property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getAbsolutePercentilePercentRamaOutliers() { - return absolutePercentilePercentRamaOutliers; - } - - /** - * Sets the value of the absolutePercentilePercentRamaOutliers property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setAbsolutePercentilePercentRamaOutliers(BigDecimal value) { - this.absolutePercentilePercentRamaOutliers = value; - } - - /** - * Gets the value of the absolutePercentilePercentRotaOutliers property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getAbsolutePercentilePercentRotaOutliers() { - return absolutePercentilePercentRotaOutliers; - } - - /** - * Sets the value of the absolutePercentilePercentRotaOutliers property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setAbsolutePercentilePercentRotaOutliers(BigDecimal value) { - this.absolutePercentilePercentRotaOutliers = value; - } - - public BigDecimal getAbsolutePercentileDCCRfree() { - return absolutePercentileDCCRfree; - } - - public void setAbsolutePercentileDCCRfree( - BigDecimal absolutePercentileDCCRfree) { - this.absolutePercentileDCCRfree = absolutePercentileDCCRfree; - } - - public BigDecimal getRelativePercentileDCCRfree() { - return relativePercentileDCCRfree; - } - - public void setRelativePercentileDCCRfree( - BigDecimal relativePercentileDCCRfree) { - this.relativePercentileDCCRfree = absolutePercentileDCCRfree; - } - - /** - * Gets the value of the acentricOutliers property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getAcentricOutliers() { - return acentricOutliers; - } - - /** - * Sets the value of the acentricOutliers property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setAcentricOutliers(BigInteger value) { - this.acentricOutliers = value; - } - - /** - * Gets the value of the attemptedValidationSteps property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getAttemptedValidationSteps() { - return attemptedValidationSteps; - } - - /** - * Sets the value of the attemptedValidationSteps property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setAttemptedValidationSteps(String value) { - this.attemptedValidationSteps = value; - } - - /** - * Gets the value of the bulkSolventB property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getBulkSolventB() { - return bulkSolventB; - } - - /** - * Sets the value of the bulkSolventB property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setBulkSolventB(BigDecimal value) { - this.bulkSolventB = value; - } - - /** - * Gets the value of the bulkSolventK property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getBulkSolventK() { - return bulkSolventK; - } - - /** - * Sets the value of the bulkSolventK property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setBulkSolventK(BigDecimal value) { - this.bulkSolventK = value; - } - - /** - * Gets the value of the centricOutliers property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getCentricOutliers() { - return centricOutliers; - } - - /** - * Sets the value of the centricOutliers property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setCentricOutliers(BigInteger value) { - this.centricOutliers = value; - } - - /** - * Gets the value of the clashscore property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getClashscore() { - return clashscore; - } - - /** - * Sets the value of the clashscore property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setClashscore(BigDecimal value) { - this.clashscore = value; - } - - /** - * Gets the value of the numHReduce property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getNumHReduce() { - return numHReduce; - } - - /** - * Sets the value of the numHReduce property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setNumHReduce(BigInteger value) { - this.numHReduce = value; - } - - /** - * Gets the value of the numFreeReflections property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getNumFreeReflections() { - return numFreeReflections; - } - - /** - * Sets the value of the numFreeReflections property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setNumFreeReflections(BigInteger value) { - this.numFreeReflections = value; - } - - /** - * Gets the value of the numMillerIndices property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getNumMillerIndices() { - return numMillerIndices; - } - - /** - * Sets the value of the numMillerIndices property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setNumMillerIndices(BigInteger value) { - this.numMillerIndices = value; - } - - /** - * Gets the value of the percentRSRZOutliers property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getPercentRSRZOutliers() { - return percentRSRZOutliers; - } - - /** - * Sets the value of the percentRSRZOutliers property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setPercentRSRZOutliers(BigDecimal value) { - this.percentRSRZOutliers = value; - } - - /** - * Gets the value of the percentFreeReflections property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getPercentFreeReflections() { - return percentFreeReflections; - } - - /** - * Sets the value of the percentFreeReflections property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setPercentFreeReflections(BigDecimal value) { - this.percentFreeReflections = value; - } - - /** - * Gets the value of the percentRamaOutliers property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getPercentRamaOutliers() { - return percentRamaOutliers; - } - - /** - * Sets the value of the percentRamaOutliers property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setPercentRamaOutliers(BigDecimal value) { - this.percentRamaOutliers = value; - } - - /** - * Gets the value of the percentRotaOutliers property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getPercentRotaOutliers() { - return percentRotaOutliers; - } - - /** - * Sets the value of the percentRotaOutliers property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setPercentRotaOutliers(BigDecimal value) { - this.percentRotaOutliers = value; - } - - /** - * Gets the value of the relativePercentileClashscore property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getRelativePercentileClashscore() { - return relativePercentileClashscore; - } - - /** - * Sets the value of the relativePercentileClashscore property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setRelativePercentileClashscore(BigDecimal value) { - this.relativePercentileClashscore = value; - } - - /** - * Gets the value of the relativePercentilePercentRSRZOutliers property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getRelativePercentilePercentRSRZOutliers() { - return relativePercentilePercentRSRZOutliers; - } - - /** - * Sets the value of the relativePercentilePercentRSRZOutliers property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setRelativePercentilePercentRSRZOutliers(BigDecimal value) { - this.relativePercentilePercentRSRZOutliers = value; - } - - /** - * Gets the value of the relativePercentilePercentRamaOutliers property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getRelativePercentilePercentRamaOutliers() { - return relativePercentilePercentRamaOutliers; - } - - /** - * Sets the value of the relativePercentilePercentRamaOutliers property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setRelativePercentilePercentRamaOutliers(BigDecimal value) { - this.relativePercentilePercentRamaOutliers = value; - } - - /** - * Gets the value of the relativePercentilePercentRotaOutliers property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getRelativePercentilePercentRotaOutliers() { - return relativePercentilePercentRotaOutliers; - } - - /** - * Sets the value of the relativePercentilePercentRotaOutliers property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setRelativePercentilePercentRotaOutliers(BigDecimal value) { - this.relativePercentilePercentRotaOutliers = value; - } - - /** - * Gets the value of the xtriageInputColumns property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getXtriageInputColumns() { - return xtriageInputColumns; - } - - /** - * Sets the value of the xtriageInputColumns property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setXtriageInputColumns(String value) { - this.xtriageInputColumns = value; - } - - public BigDecimal getRnaSuiteness() { - return rnaSuiteness; - } - - public void setRnaSuiteness(BigDecimal rnaSuiteness) { - this.rnaSuiteness = rnaSuiteness; - } - - public BigDecimal getAbsolutePercentialRNAsuiteness() { - return absolutePercentialRNAsuiteness; - } - - public void setAbsolutePercentialRNAsuiteness( - BigDecimal absolutePercentialRNAsuiteness) { - this.absolutePercentialRNAsuiteness = absolutePercentialRNAsuiteness; - } - - public BigDecimal getRelativePercentileRNAsuiteness() { - return relativePercentileRNAsuiteness; - } - - public void setRelativePercentileRNAsuiteness( - BigDecimal relativePercentileRNAsuiteness) { - this.relativePercentileRNAsuiteness = relativePercentileRNAsuiteness; - } - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/ModelledSubgroup.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/ModelledSubgroup.java deleted file mode 100644 index 310bb9e1af..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/ModelledSubgroup.java +++ /dev/null @@ -1,981 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.*; -import javax.xml.bind.annotation.adapters.CollapsedStringAdapter; -import javax.xml.bind.annotation.adapters.XmlJavaTypeAdapter; -import java.math.BigDecimal; -import java.math.BigInteger; -import java.util.ArrayList; -import java.util.List; - - -/** - *

    Java class for anonymous complex type. - * - *

    The following schema fragment specifies the expected content contained within this class. - * - * 

    - * <complexType>
- *   <complexContent>
- *     <restriction base="{http://www.w3.org/2001/XMLSchema}anyType">
- *       <sequence>
- *         <element ref="{}angle-outlier" maxOccurs="unbounded" minOccurs="0"/>
- *         <element ref="{}clash" maxOccurs="unbounded" minOccurs="0"/>
- *         <element ref="{}bond-outlier" maxOccurs="unbounded" minOccurs="0"/>
- *         <element ref="{}mog-angle-outlier" maxOccurs="unbounded" minOccurs="0"/>
- *         <choice>
- *           <element ref="{}symm-clash" maxOccurs="unbounded" minOccurs="0"/>
- *           <element ref="{}mog-bond-outlier" maxOccurs="unbounded" minOccurs="0"/>
- *         </choice>
- *       </sequence>
- *       <attribute name="NatomsEDS" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="altcode" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="avgoccu" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="chain" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="ent" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="flippable-sidechain" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="icode" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="ligRSRZ" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="ligRSRnbrMean" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="ligRSRnbrStdev" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="ligRSRnumnbrs" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="model" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="mogul-ignore" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="num-H-reduce" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="owab" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="phi" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="psi" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="rama" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="resname" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="resnum" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="rota" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="rscc" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="rsr" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="rsrz" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="said" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="seq" use="required" type="{http://www.w3.org/2001/XMLSchema}NMTOKEN" />
- *     </restriction>
- *   </complexContent>
- * </complexType>
- *
    - * - * - */ -@XmlAccessorType(XmlAccessType.FIELD) -@XmlType(name = "", propOrder = { - "angleOutlier", - "clash", - "bondOutlier", - "mogAngleOutlier", - "symmClash", - "mogBondOutlier" -}) -@XmlRootElement(name = "ModelledSubgroup") -public class ModelledSubgroup { - - @XmlElement(name = "angle-outlier") - protected List angleOutlier; - protected List clash; - @XmlElement(name = "bond-outlier") - protected List bondOutlier; - @XmlElement(name = "mog-angle-outlier") - protected List mogAngleOutlier; - @XmlElement(name = "symm-clash") - protected List symmClash; - @XmlElement(name = "mog-bond-outlier") - protected List mogBondOutlier; - @XmlAttribute(name = "NatomsEDS", required = true) - protected BigInteger natomsEDS; - @XmlAttribute(name = "altcode", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String altcode; - @XmlAttribute(name = "avgoccu", required = true) - protected BigDecimal avgoccu; - @XmlAttribute(name = "chain", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String chain; - @XmlAttribute(name = "ent", required = true) - protected BigInteger ent; - @XmlAttribute(name = "flippable-sidechain") - protected BigInteger flippableSidechain; - @XmlAttribute(name = "icode", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String icode; - @XmlAttribute(name = "ligRSRZ") - protected BigDecimal ligRSRZ; - @XmlAttribute(name = "ligRSRnbrMean") - protected BigDecimal ligRSRnbrMean; - @XmlAttribute(name = "ligRSRnbrStdev") - protected BigDecimal ligRSRnbrStdev; - @XmlAttribute(name = "ligRSRnumnbrs") - protected BigInteger ligRSRnumnbrs; - @XmlAttribute(name = "model", required = true) - protected BigInteger model; - @XmlAttribute(name = "mogul-ignore") - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String mogulIgnore; - @XmlAttribute(name = "num-H-reduce") - protected BigInteger numHReduce; - @XmlAttribute(name = "owab", required = true) - protected BigDecimal owab; - @XmlAttribute(name = "phi") - protected BigDecimal phi; - @XmlAttribute(name = "psi") - protected BigDecimal psi; - @XmlAttribute(name = "rama") - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String rama; - @XmlAttribute(name = "resname", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String resname; - @XmlAttribute(name = "resnum", required = true) - protected BigInteger resnum; - @XmlAttribute(name = "rota") - @XmlSchemaType(name = "anySimpleType") - protected String rota; - @XmlAttribute(name = "rscc", required = true) - protected BigDecimal rscc; - @XmlAttribute(name = "rsr", required = true) - protected BigDecimal rsr; - @XmlAttribute(name = "rsrz") - protected BigDecimal rsrz; - @XmlAttribute(name = "said", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String said; - @XmlAttribute(name = "seq", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NMTOKEN") - protected String seq; - - /** - * Gets the value of the angleOutlier property. - * - *

    - * This accessor method returns a reference to the live list, - * not a snapshot. Therefore any modification you make to the - * returned list will be present inside the JAXB object. - * This is why there is not a set method for the angleOutlier property. - * - *

    - * For example, to add a new item, do as follows: - * 

    -	 *    getAngleOutlier().add(newItem);
-	 *
    - * - * - *

    - * Objects of the following type(s) are allowed in the list - * {@link AngleOutlier } - * - * - */ - public List getAngleOutlier() { - if (angleOutlier == null) { - angleOutlier = new ArrayList(); - } - return this.angleOutlier; - } - - /** - * Gets the value of the clash property. - * - *

    - * This accessor method returns a reference to the live list, - * not a snapshot. Therefore any modification you make to the - * returned list will be present inside the JAXB object. - * This is why there is not a set method for the clash property. - * - *

    - * For example, to add a new item, do as follows: - * 

    -	 *    getClash().add(newItem);
-	 *
    - * - * - *

    - * Objects of the following type(s) are allowed in the list - * {@link Clash } - * - * - */ - public List getClash() { - if (clash == null) { - clash = new ArrayList(); - } - return this.clash; - } - - /** - * Gets the value of the bondOutlier property. - * - *

    - * This accessor method returns a reference to the live list, - * not a snapshot. Therefore any modification you make to the - * returned list will be present inside the JAXB object. - * This is why there is not a set method for the bondOutlier property. - * - *

    - * For example, to add a new item, do as follows: - * 

    -	 *    getBondOutlier().add(newItem);
-	 *
    - * - * - *

    - * Objects of the following type(s) are allowed in the list - * {@link BondOutlier } - * - * - */ - public List getBondOutlier() { - if (bondOutlier == null) { - bondOutlier = new ArrayList(); - } - return this.bondOutlier; - } - - /** - * Gets the value of the mogAngleOutlier property. - * - *

    - * This accessor method returns a reference to the live list, - * not a snapshot. Therefore any modification you make to the - * returned list will be present inside the JAXB object. - * This is why there is not a set method for the mogAngleOutlier property. - * - *

    - * For example, to add a new item, do as follows: - * 

    -	 *    getMogAngleOutlier().add(newItem);
-	 *
    - * - * - *

    - * Objects of the following type(s) are allowed in the list - * {@link MogAngleOutlier } - * - * - */ - public List getMogAngleOutlier() { - if (mogAngleOutlier == null) { - mogAngleOutlier = new ArrayList(); - } - return this.mogAngleOutlier; - } - - /** - * Gets the value of the symmClash property. - * - *

    - * This accessor method returns a reference to the live list, - * not a snapshot. Therefore any modification you make to the - * returned list will be present inside the JAXB object. - * This is why there is not a set method for the symmClash property. - * - *

    - * For example, to add a new item, do as follows: - * 

    -	 *    getSymmClash().add(newItem);
-	 *
    - * - * - *

    - * Objects of the following type(s) are allowed in the list - * {@link SymmClash } - * - * - */ - public List getSymmClash() { - if (symmClash == null) { - symmClash = new ArrayList(); - } - return this.symmClash; - } - - /** - * Gets the value of the mogBondOutlier property. - * - *

    - * This accessor method returns a reference to the live list, - * not a snapshot. Therefore any modification you make to the - * returned list will be present inside the JAXB object. - * This is why there is not a set method for the mogBondOutlier property. - * - *

    - * For example, to add a new item, do as follows: - * 

    -	 *    getMogBondOutlier().add(newItem);
-	 *
    - * - * - *

    - * Objects of the following type(s) are allowed in the list - * {@link MogBondOutlier } - * - * - */ - public List getMogBondOutlier() { - if (mogBondOutlier == null) { - mogBondOutlier = new ArrayList(); - } - return this.mogBondOutlier; - } - - /** - * Gets the value of the natomsEDS property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getNatomsEDS() { - return natomsEDS; - } - - /** - * Sets the value of the natomsEDS property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setNatomsEDS(BigInteger value) { - this.natomsEDS = value; - } - - /** - * Gets the value of the altcode property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getAltcode() { - return altcode; - } - - /** - * Sets the value of the altcode property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setAltcode(String value) { - this.altcode = value; - } - - /** - * Gets the value of the avgoccu property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getAvgoccu() { - return avgoccu; - } - - /** - * Sets the value of the avgoccu property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setAvgoccu(BigDecimal value) { - this.avgoccu = value; - } - - /** - * Gets the value of the chain property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getChain() { - return chain; - } - - /** - * Sets the value of the chain property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setChain(String value) { - this.chain = value; - } - - /** - * Gets the value of the ent property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getEnt() { - return ent; - } - - /** - * Sets the value of the ent property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setEnt(BigInteger value) { - this.ent = value; - } - - /** - * Gets the value of the flippableSidechain property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getFlippableSidechain() { - return flippableSidechain; - } - - /** - * Sets the value of the flippableSidechain property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setFlippableSidechain(BigInteger value) { - this.flippableSidechain = value; - } - - /** - * Gets the value of the icode property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getIcode() { - return icode; - } - - /** - * Sets the value of the icode property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setIcode(String value) { - this.icode = value; - } - - /** - * Gets the value of the ligRSRZ property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getLigRSRZ() { - return ligRSRZ; - } - - /** - * Sets the value of the ligRSRZ property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setLigRSRZ(BigDecimal value) { - this.ligRSRZ = value; - } - - /** - * Gets the value of the ligRSRnbrMean property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getLigRSRnbrMean() { - return ligRSRnbrMean; - } - - /** - * Sets the value of the ligRSRnbrMean property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setLigRSRnbrMean(BigDecimal value) { - this.ligRSRnbrMean = value; - } - - /** - * Gets the value of the ligRSRnbrStdev property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getLigRSRnbrStdev() { - return ligRSRnbrStdev; - } - - /** - * Sets the value of the ligRSRnbrStdev property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setLigRSRnbrStdev(BigDecimal value) { - this.ligRSRnbrStdev = value; - } - - /** - * Gets the value of the ligRSRnumnbrs property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getLigRSRnumnbrs() { - return ligRSRnumnbrs; - } - - /** - * Sets the value of the ligRSRnumnbrs property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setLigRSRnumnbrs(BigInteger value) { - this.ligRSRnumnbrs = value; - } - - /** - * Gets the value of the model property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getModel() { - return model; - } - - /** - * Sets the value of the model property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setModel(BigInteger value) { - this.model = value; - } - - /** - * Gets the value of the mogulIgnore property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getMogulIgnore() { - return mogulIgnore; - } - - /** - * Sets the value of the mogulIgnore property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setMogulIgnore(String value) { - this.mogulIgnore = value; - } - - /** - * Gets the value of the numHReduce property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getNumHReduce() { - return numHReduce; - } - - /** - * Sets the value of the numHReduce property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setNumHReduce(BigInteger value) { - this.numHReduce = value; - } - - /** - * Gets the value of the owab property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getOwab() { - return owab; - } - - /** - * Sets the value of the owab property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setOwab(BigDecimal value) { - this.owab = value; - } - - /** - * Gets the value of the phi property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getPhi() { - return phi; - } - - /** - * Sets the value of the phi property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setPhi(BigDecimal value) { - this.phi = value; - } - - /** - * Gets the value of the psi property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getPsi() { - return psi; - } - - /** - * Sets the value of the psi property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setPsi(BigDecimal value) { - this.psi = value; - } - - /** - * Gets the value of the rama property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getRama() { - return rama; - } - - /** - * Sets the value of the rama property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setRama(String value) { - this.rama = value; - } - - /** - * Gets the value of the resname property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getResname() { - return resname; - } - - /** - * Sets the value of the resname property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setResname(String value) { - this.resname = value; - } - - /** - * Gets the value of the resnum property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getResnum() { - return resnum; - } - - /** - * Sets the value of the resnum property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setResnum(BigInteger value) { - this.resnum = value; - } - - /** - * Gets the value of the rota property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getRota() { - return rota; - } - - /** - * Sets the value of the rota property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setRota(String value) { - this.rota = value; - } - - /** - * Gets the value of the rscc property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getRscc() { - return rscc; - } - - /** - * Sets the value of the rscc property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setRscc(BigDecimal value) { - this.rscc = value; - } - - /** - * Gets the value of the rsr property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getRsr() { - return rsr; - } - - /** - * Sets the value of the rsr property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setRsr(BigDecimal value) { - this.rsr = value; - } - - /** - * Gets the value of the rsrz property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getRsrz() { - return rsrz; - } - - /** - * Sets the value of the rsrz property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setRsrz(BigDecimal value) { - this.rsrz = value; - } - - /** - * Gets the value of the said property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getSaid() { - return said; - } - - /** - * Sets the value of the said property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setSaid(String value) { - this.said = value; - } - - /** - * Gets the value of the seq property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getSeq() { - return seq; - } - - /** - * Sets the value of the seq property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setSeq(String value) { - this.seq = value; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/MogAngleOutlier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/MogAngleOutlier.java deleted file mode 100644 index 02a982bced..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/MogAngleOutlier.java +++ /dev/null @@ -1,248 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.*; -import java.math.BigDecimal; -import java.math.BigInteger; - - -/** - *

    Java class for anonymous complex type. - * - *

    The following schema fragment specifies the expected content contained within this class. - * - * 

    - * <complexType>
- *   <complexContent>
- *     <restriction base="{http://www.w3.org/2001/XMLSchema}anyType">
- *       <attribute name="Zscore" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="atoms" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="mean" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="mindiff" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="numobs" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="obsval" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="stdev" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *     </restriction>
- *   </complexContent>
- * </complexType>
- *
    - * - * - */ -@XmlAccessorType(XmlAccessType.FIELD) -@XmlType(name = "") -@XmlRootElement(name = "mog-angle-outlier") -public class MogAngleOutlier { - - @XmlAttribute(name = "Zscore", required = true) - protected BigDecimal zscore; - @XmlAttribute(name = "atoms", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String atoms; - @XmlAttribute(name = "mean", required = true) - protected BigDecimal mean; - @XmlAttribute(name = "mindiff", required = true) - protected BigDecimal mindiff; - @XmlAttribute(name = "numobs", required = true) - protected BigInteger numobs; - @XmlAttribute(name = "obsval", required = true) - protected BigDecimal obsval; - @XmlAttribute(name = "stdev", required = true) - protected BigDecimal stdev; - - /** - * Gets the value of the zscore property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getZscore() { - return zscore; - } - - /** - * Sets the value of the zscore property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setZscore(BigDecimal value) { - this.zscore = value; - } - - /** - * Gets the value of the atoms property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getAtoms() { - return atoms; - } - - /** - * Sets the value of the atoms property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setAtoms(String value) { - this.atoms = value; - } - - /** - * Gets the value of the mean property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getMean() { - return mean; - } - - /** - * Sets the value of the mean property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setMean(BigDecimal value) { - this.mean = value; - } - - /** - * Gets the value of the mindiff property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getMindiff() { - return mindiff; - } - - /** - * Sets the value of the mindiff property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setMindiff(BigDecimal value) { - this.mindiff = value; - } - - /** - * Gets the value of the numobs property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getNumobs() { - return numobs; - } - - /** - * Sets the value of the numobs property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setNumobs(BigInteger value) { - this.numobs = value; - } - - /** - * Gets the value of the obsval property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getObsval() { - return obsval; - } - - /** - * Sets the value of the obsval property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setObsval(BigDecimal value) { - this.obsval = value; - } - - /** - * Gets the value of the stdev property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getStdev() { - return stdev; - } - - /** - * Sets the value of the stdev property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setStdev(BigDecimal value) { - this.stdev = value; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/MogBondOutlier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/MogBondOutlier.java deleted file mode 100644 index d9dab2627b..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/MogBondOutlier.java +++ /dev/null @@ -1,248 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.*; -import java.math.BigDecimal; -import java.math.BigInteger; - - -/** - *

    Java class for anonymous complex type. - * - *

    The following schema fragment specifies the expected content contained within this class. - * - * 

    - * <complexType>
- *   <complexContent>
- *     <restriction base="{http://www.w3.org/2001/XMLSchema}anyType">
- *       <attribute name="Zscore" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="atoms" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="mean" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="mindiff" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="numobs" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="obsval" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="stdev" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *     </restriction>
- *   </complexContent>
- * </complexType>
- *
    - * - * - */ -@XmlAccessorType(XmlAccessType.FIELD) -@XmlType(name = "") -@XmlRootElement(name = "mog-bond-outlier") -public class MogBondOutlier { - - @XmlAttribute(name = "Zscore", required = true) - protected BigDecimal zscore; - @XmlAttribute(name = "atoms", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String atoms; - @XmlAttribute(name = "mean", required = true) - protected BigDecimal mean; - @XmlAttribute(name = "mindiff", required = true) - protected BigDecimal mindiff; - @XmlAttribute(name = "numobs", required = true) - protected BigInteger numobs; - @XmlAttribute(name = "obsval", required = true) - protected BigDecimal obsval; - @XmlAttribute(name = "stdev", required = true) - protected BigDecimal stdev; - - /** - * Gets the value of the zscore property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getZscore() { - return zscore; - } - - /** - * Sets the value of the zscore property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setZscore(BigDecimal value) { - this.zscore = value; - } - - /** - * Gets the value of the atoms property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getAtoms() { - return atoms; - } - - /** - * Sets the value of the atoms property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setAtoms(String value) { - this.atoms = value; - } - - /** - * Gets the value of the mean property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getMean() { - return mean; - } - - /** - * Sets the value of the mean property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setMean(BigDecimal value) { - this.mean = value; - } - - /** - * Gets the value of the mindiff property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getMindiff() { - return mindiff; - } - - /** - * Sets the value of the mindiff property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setMindiff(BigDecimal value) { - this.mindiff = value; - } - - /** - * Gets the value of the numobs property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getNumobs() { - return numobs; - } - - /** - * Sets the value of the numobs property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setNumobs(BigInteger value) { - this.numobs = value; - } - - /** - * Gets the value of the obsval property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getObsval() { - return obsval; - } - - /** - * Sets the value of the obsval property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setObsval(BigDecimal value) { - this.obsval = value; - } - - /** - * Gets the value of the stdev property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getStdev() { - return stdev; - } - - /** - * Sets the value of the stdev property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setStdev(BigDecimal value) { - this.stdev = value; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/ObjectFactory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/ObjectFactory.java deleted file mode 100644 index 2d997f0c45..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/ObjectFactory.java +++ /dev/null @@ -1,147 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.XmlRegistry; - - -/** - * This object contains factory methods for each - * Java content interface and Java element interface - * generated in the org.biojava.nbio.structure.validation package. - *

    An ObjectFactory allows you to programatically - * construct new instances of the Java representation - * for XML content. The Java representation of XML - * content can consist of schema derived interfaces - * and classes representing the binding of schema - * type definitions, element declarations and model - * groups. Factory methods for each of these are - * provided in this class. - * - */ -@XmlRegistry -public class ObjectFactory { - - - /** - * Create a new ObjectFactory that can be used to create new instances of schema derived classes for package: org.biojava.nbio.structure.validation - * - */ - public ObjectFactory() { - } - - /** - * Create an instance of {@link BondOutlier } - * - */ - public BondOutlier createBondOutlier() { - return new BondOutlier(); - } - - /** - * Create an instance of {@link Programs } - * - */ - public Programs createPrograms() { - return new Programs(); - } - - /** - * Create an instance of {@link Program } - * - */ - public Program createProgram() { - return new Program(); - } - - /** - * Create an instance of {@link Entry } - * - */ - public Entry createEntry() { - return new Entry(); - } - - /** - * Create an instance of {@link WwPDBValidationInformation } - * - */ - public WwPDBValidationInformation createWwPDBValidationInformation() { - return new WwPDBValidationInformation(); - } - - /** - * Create an instance of {@link ModelledSubgroup } - * - */ - public ModelledSubgroup createModelledSubgroup() { - return new ModelledSubgroup(); - } - - /** - * Create an instance of {@link AngleOutlier } - * - */ - public AngleOutlier createAngleOutlier() { - return new AngleOutlier(); - } - - /** - * Create an instance of {@link Clash } - * - */ - public Clash createClash() { - return new Clash(); - } - - /** - * Create an instance of {@link MogAngleOutlier } - * - */ - public MogAngleOutlier createMogAngleOutlier() { - return new MogAngleOutlier(); - } - - /** - * Create an instance of {@link SymmClash } - * - */ - public SymmClash createSymmClash() { - return new SymmClash(); - } - - /** - * Create an instance of {@link MogBondOutlier } - * - */ - public MogBondOutlier createMogBondOutlier() { - return new MogBondOutlier(); - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Program.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Program.java deleted file mode 100644 index 2d0c3f13c0..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Program.java +++ /dev/null @@ -1,143 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.*; -import javax.xml.bind.annotation.adapters.CollapsedStringAdapter; -import javax.xml.bind.annotation.adapters.XmlJavaTypeAdapter; - - -/** - *

    Java class for anonymous complex type. - * - *

    The following schema fragment specifies the expected content contained within this class. - * - * 

    - * <complexType>
- *   <complexContent>
- *     <restriction base="{http://www.w3.org/2001/XMLSchema}anyType">
- *       <attribute name="name" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="properties" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *       <attribute name="version" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" />
- *     </restriction>
- *   </complexContent>
- * </complexType>
- *
    - * - * - */ -@XmlAccessorType(XmlAccessType.FIELD) -@XmlType(name = "") -@XmlRootElement(name = "program") -public class Program { - - @XmlAttribute(name = "name", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String name; - @XmlAttribute(name = "properties", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String properties; - @XmlAttribute(name = "version", required = true) - @XmlSchemaType(name = "anySimpleType") - protected String version; - - /** - * Gets the value of the name property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getName() { - return name; - } - - /** - * Sets the value of the name property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setName(String value) { - this.name = value; - } - - /** - * Gets the value of the properties property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getProperties() { - return properties; - } - - /** - * Sets the value of the properties property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setProperties(String value) { - this.properties = value; - } - - /** - * Gets the value of the version property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getVersion() { - return version; - } - - /** - * Sets the value of the version property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setVersion(String value) { - this.version = value; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Programs.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Programs.java deleted file mode 100644 index afd4ac4876..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/Programs.java +++ /dev/null @@ -1,94 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.*; -import java.util.ArrayList; -import java.util.List; - - -/** - *

    Java class for anonymous complex type. - * - *

    The following schema fragment specifies the expected content contained within this class. - * - * 

    - * <complexType>
- *   <complexContent>
- *     <restriction base="{http://www.w3.org/2001/XMLSchema}anyType">
- *       <sequence>
- *         <element ref="{}program" maxOccurs="unbounded"/>
- *       </sequence>
- *     </restriction>
- *   </complexContent>
- * </complexType>
- *
    - * - * - */ -@XmlAccessorType(XmlAccessType.FIELD) -@XmlType(name = "", propOrder = { - "program" -}) -@XmlRootElement(name = "programs") -public class Programs { - - @XmlElement(required = true) - protected List program; - - /** - * Gets the value of the program property. - * - *

    - * This accessor method returns a reference to the live list, - * not a snapshot. Therefore any modification you make to the - * returned list will be present inside the JAXB object. - * This is why there is not a set method for the program property. - * - *

    - * For example, to add a new item, do as follows: - * 

    -	 *    getProgram().add(newItem);
-	 *
    - * - * - *

    - * Objects of the following type(s) are allowed in the list - * {@link Program } - * - * - */ - public List getProgram() { - if (program == null) { - program = new ArrayList(); - } - return this.program; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/SymmClash.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/SymmClash.java deleted file mode 100644 index 78976deb81..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/SymmClash.java +++ /dev/null @@ -1,199 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.*; -import javax.xml.bind.annotation.adapters.CollapsedStringAdapter; -import javax.xml.bind.annotation.adapters.XmlJavaTypeAdapter; -import java.math.BigDecimal; -import java.math.BigInteger; - - -/** - *

    Java class for anonymous complex type. - * - *

    The following schema fragment specifies the expected content contained within this class. - * - * 

    - * <complexType>
- *   <complexContent>
- *     <restriction base="{http://www.w3.org/2001/XMLSchema}anyType">
- *       <attribute name="atom" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" />
- *       <attribute name="clashmag" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="dist" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" />
- *       <attribute name="scid" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" />
- *       <attribute name="symop" use="required" type="{http://www.w3.org/2001/XMLSchema}NMTOKEN" />
- *     </restriction>
- *   </complexContent>
- * </complexType>
- *
    - * - * - */ -@XmlAccessorType(XmlAccessType.FIELD) -@XmlType(name = "") -@XmlRootElement(name = "symm-clash") -public class SymmClash { - - @XmlAttribute(name = "atom", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NCName") - protected String atom; - @XmlAttribute(name = "clashmag", required = true) - protected BigDecimal clashmag; - @XmlAttribute(name = "dist", required = true) - protected BigDecimal dist; - @XmlAttribute(name = "scid", required = true) - protected BigInteger scid; - @XmlAttribute(name = "symop", required = true) - @XmlJavaTypeAdapter(CollapsedStringAdapter.class) - @XmlSchemaType(name = "NMTOKEN") - protected String symop; - - /** - * Gets the value of the atom property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getAtom() { - return atom; - } - - /** - * Sets the value of the atom property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setAtom(String value) { - this.atom = value; - } - - /** - * Gets the value of the clashmag property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getClashmag() { - return clashmag; - } - - /** - * Sets the value of the clashmag property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setClashmag(BigDecimal value) { - this.clashmag = value; - } - - /** - * Gets the value of the dist property. - * - * @return - * possible object is - * {@link BigDecimal } - * - */ - public BigDecimal getDist() { - return dist; - } - - /** - * Sets the value of the dist property. - * - * @param value - * allowed object is - * {@link BigDecimal } - * - */ - public void setDist(BigDecimal value) { - this.dist = value; - } - - /** - * Gets the value of the scid property. - * - * @return - * possible object is - * {@link BigInteger } - * - */ - public BigInteger getScid() { - return scid; - } - - /** - * Sets the value of the scid property. - * - * @param value - * allowed object is - * {@link BigInteger } - * - */ - public void setScid(BigInteger value) { - this.scid = value; - } - - /** - * Gets the value of the symop property. - * - * @return - * possible object is - * {@link String } - * - */ - public String getSymop() { - return symop; - } - - /** - * Sets the value of the symop property. - * - * @param value - * allowed object is - * {@link String } - * - */ - public void setSymop(String value) { - this.symop = value; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/WwPDBValidationInformation.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/WwPDBValidationInformation.java deleted file mode 100644 index 85585a9770..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/validation/WwPDBValidationInformation.java +++ /dev/null @@ -1,154 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -// -// This file was generated by the JavaTM Architecture for XML Binding(JAXB) Reference Implementation, v2.2.4-2 -// See http://java.sun.com/xml/jaxb -// Any modifications to this file will be lost upon recompilation of the source schema. -// Generated on: 2013.12.17 at 03:04:15 PM PST -// - - -package org.biojava.nbio.structure.validation; - -import javax.xml.bind.annotation.*; - -import java.io.Serializable; -import java.util.ArrayList; -import java.util.List; - - -/** - *

    Java class for anonymous complex type. - * - *

    The following schema fragment specifies the expected content contained within this class. - * - * 

    - * <complexType>
- *   <complexContent>
- *     <restriction base="{http://www.w3.org/2001/XMLSchema}anyType">
- *       <sequence>
- *         <element ref="{}Entry"/>
- *         <element ref="{}ModelledSubgroup" maxOccurs="unbounded"/>
- *         <element ref="{}programs"/>
- *       </sequence>
- *     </restriction>
- *   </complexContent>
- * </complexType>
- *
    - * - * - */ -@XmlAccessorType(XmlAccessType.FIELD) -@XmlType(name = "", propOrder = { - "entry", - "modelledSubgroup", - "programs" -}) -@XmlRootElement(name = "wwPDB-validation-information") -public class WwPDBValidationInformation implements Serializable { - - private static final long serialVersionUID = -996804963717482650L; - - @XmlElement(name = "Entry", required = true) - protected Entry entry; - @XmlElement(name = "ModelledSubgroup", required = true) - protected List modelledSubgroup; - @XmlElement(required = true) - protected Programs programs; - - /** - * Gets the value of the entry property. - * - * @return - * possible object is - * {@link Entry } - * - */ - public Entry getEntry() { - return entry; - } - - /** - * Sets the value of the entry property. - * - * @param value - * allowed object is - * {@link Entry } - * - */ - public void setEntry(Entry value) { - this.entry = value; - } - - /** - * Gets the value of the modelledSubgroup property. - * - *

    - * This accessor method returns a reference to the live list, - * not a snapshot. Therefore any modification you make to the - * returned list will be present inside the JAXB object. - * This is why there is not a set method for the modelledSubgroup property. - * - *

    - * For example, to add a new item, do as follows: - * 

    -	 *    getModelledSubgroup().add(newItem);
-	 *
    - * - * - *

    - * Objects of the following type(s) are allowed in the list - * {@link ModelledSubgroup } - * - * - */ - public List getModelledSubgroup() { - if (modelledSubgroup == null) { - modelledSubgroup = new ArrayList(); - } - return this.modelledSubgroup; - } - - /** - * Gets the value of the programs property. - * - * @return - * possible object is - * {@link Programs } - * - */ - public Programs getPrograms() { - return programs; - } - - /** - * Sets the value of the programs property. - * - * @param value - * allowed object is - * {@link Programs } - * - */ - public void setPrograms(Programs value) { - this.programs = value; - } - -} diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/validation/TestValidationReportParsing.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/validation/TestValidationReportParsing.java deleted file mode 100644 index da1b9a9b02..0000000000 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/validation/TestValidationReportParsing.java +++ /dev/null @@ -1,110 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Sep 18, 2013 - * Author: ap3 - */ - -package org.biojava.nbio.structure.validation; - -import org.junit.Test; - -import javax.xml.bind.JAXBContext; -import javax.xml.bind.Unmarshaller; -import java.io.InputStream; -import java.util.zip.GZIPInputStream; - -import static org.junit.Assert.fail; - -public class TestValidationReportParsing { - - @Test - public void test() { - - String[] testPDBids = new String[]{ - - "3vtq", - "3vtu", - "3vtv", - "3vtw", - "3vu8", - "3vua", - "3vv5", - "3vvd", - "3vve", - "3vvf", - "3vw5", - "3w1f", - "3w5p", - "3w5q", - "3w5r", - "3w5t", - "3w9y", - "3wcp", - "3zjh", - "3zji", - "3zjj", - "3zjm", - "3zjn", - "3zjo", - "3zjp", - "3zjq", - "3zjr", - "3zjs", - "3znv", - "3znx", - "3znz", - "3zoi", - "3zoj", - "3zpy", - }; - - for (String pdbId : testPDBids){ - testPDB(pdbId); - } - - } - - private void testPDB(String pdbId) { - try { - JAXBContext ctx = JAXBContext.newInstance(new Class[] {WwPDBValidationInformation.class}); - - Unmarshaller um = ctx.createUnmarshaller(); - - InputStream inStream = new GZIPInputStream(this.getClass().getResourceAsStream("/validation/"+pdbId+"-valdata.xml.gz")); - - WwPDBValidationInformation validationReport = (WwPDBValidationInformation) um.unmarshal(inStream); - - validationReport.getEntry(); - -// Entry entry = validationReport.getEntry(); -// System.out.println(pdbId + " " + entry.getPDBRevisionNumber() + -// "\t Rfree: " + entry.getDCCRfree() + -// "\t Clashscore " + entry.getClashscore() + -// "\t % Ramachandran outliers: " + entry.getPercentRamaOutliers() + -// "\t % RSRC outliers: " + entry.getPercentRSRZOutliers() ); - - - } catch (Exception e){ - e.printStackTrace(); - fail(e.getMessage()); - } - } - -} diff --git 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      All methods query the - * - * PDB website. + *

      + * All methods query the + * + * RCSB Data REST API * - *

      PDB supersessions form a directed acyclic graph, where edges point from an + *

      + * PDB supersessions form a directed acyclic graph, where edges point from an * obsolete ID to the entry that directly superseded it. For example, here are - * edges from one portion of the graph:
      - * + * edges from one portion of the graph: + *

      * 1CAT -> 3CAT
      * 3CAT -> 7CAT
      * 3CAT -> 8CAT
      * - *

      The methods {@link #getReplaces(String, boolean) getReplaces(pdbId, false)}/ + *

      + * The methods {@link #getReplaces(String, boolean) getReplaces(pdbId, false)}/ * {@link #getReplacement(String, boolean, boolean) getReplacement(pdbId, false, true)} * just get the incoming/outgoing edges for a single node. The recursive versions * ({@link #getReplaces(String, boolean) getReplaces(pdbId, true)}, @@ -63,39 +68,46 @@ * will do a depth-first search up/down the tree and return a list of all nodes ] * reached. * - *

      Finally, the getCurrent() method returns a single PDB ID from among the + *

      + * Finally, the {@link #getCurrent(String)} method returns a single PDB ID from among the * results of - * {@link #getReplacement(String, boolean) getReplacement(pdbId, true)}. + * {@link #getReplacement(String, boolean, boolean)}. * To be consistent with the old REST ordering, this is the PDB ID that occurs * last alphabetically. * - *

      Results are cached to reduce server load. + *

      + * Results are cached to reduce server load. * - * @author Spencer Bliven + * @author Spencer Bliven * @author Amr AL-Hossary + * @author Jose Duarte * @since 3.0.2 */ public class PDBStatus { private static final Logger logger = LoggerFactory.getLogger(PDBStatus.class); - public static final String DEFAULT_PDB_SERVER = "www.rcsb.org"; - public static final String PDB_SERVER_PROPERTY = "PDB.SERVER"; + //public static final String DEFAULT_PDB_SERVER = "www.rcsb.org"; + public static final String DEFAULT_RCSB_DATA_API_SERVER = "data.rcsb.org"; + public static final String ALL_CURRENT_ENDPOINT = "https://%s/rest/v1/holdings/current/entry_ids"; /** * saves the returned results for further use. * */ - //TODO Use SoftReferences to allow garbage collection - private static Map> recordsCache= new Hashtable>(); + private static final Map> recordsCache= new Hashtable<>(); /** * Represents the status of PDB IDs. 'OBSOLETE' and 'CURRENT' are the most * common. - * @author Spencer Bliven + * @author Spencer Bliven * */ public enum Status { + // this is the list for unreleased: "AUCO" "AUTH" "HOLD" "HPUB" "POLC" "PROC" "REFI" "REPL" "WAIT" "WDRN" + // The remaining from below are removed-related: OBSOLETE, MODEL (not available in Data API). + // In Data API in rcsb_repository_holdings_insilico_models.status_code: 3 values "OBS", "TRSF", "WDRN" and 1 in rcsb_repository_holdings_transferred.status_code: "TRSF" + // for current: CURRENT (not available in current API) OBSOLETE, CURRENT, AUTH, @@ -110,11 +122,7 @@ public enum Status { MODEL, UNKNOWN; - /** - * - * @param statusStr - * @return * @throws IllegalArgumentException If the string is not recognized */ public static Status fromString(String statusStr) { @@ -159,7 +167,7 @@ else if(statusStrUpper.equalsIgnoreCase("UNKNOWN")) * @param pdbId * @return The status, or null if an error occurred. */ - public static Status getStatus(String pdbId) { + public static Status getStatus(String pdbId) throws IOException { Status[] statuses = getStatus(new String[] {pdbId}); if(statuses != null) { assert(statuses.length == 1); @@ -176,7 +184,7 @@ public static Status getStatus(String pdbId) { * @param pdbIds * @return The status array, or null if an error occurred. */ - public static Status[] getStatus(String[] pdbIds) { + public static Status[] getStatus(String[] pdbIds) throws IOException { Status[] statuses = new Status[pdbIds.length]; List> attrList = getStatusIdRecords(pdbIds); @@ -234,8 +242,8 @@ public static Status[] getStatus(String[] pdbIds) { * @param oldPdbId * @return The replacement for oldPdbId, or null if none are found or if an error occurred. */ - public static String getCurrent(String oldPdbId) { - List replacements = getReplacement(oldPdbId,true, false); + public static String getCurrent(String oldPdbId) throws IOException { + List replacements = getReplacement(oldPdbId,true, false); if(replacements != null && !replacements.isEmpty()) return replacements.get(0); else @@ -260,7 +268,7 @@ public static String getCurrent(String oldPdbId) { * current records. A return value of null indicates that the ID has * been removed from the PDB or that an error has occurred. */ - public static List getReplacement(String oldPdbId, boolean recurse, boolean includeObsolete) { + public static List getReplacement(String oldPdbId, boolean recurse, boolean includeObsolete) throws IOException { List> attrList = getStatusIdRecords(new String[] {oldPdbId}); //Expect a single record if(attrList == null || attrList.size() != 1) { @@ -291,7 +299,7 @@ public static List getReplacement(String oldPdbId, boolean recurse, bool } // If we're current, just return - LinkedList results = new LinkedList(); + LinkedList results = new LinkedList<>(); switch(status) { case CURRENT: results.add(oldPdbId); @@ -459,7 +467,7 @@ private static void mergeReversed(List merged, * @return A (possibly empty) list of ID(s) of the ancestor(s) of * newPdbId, or null if an error occurred. */ - public static List getReplaces(String newPdbId, boolean recurse) { + public static List getReplaces(String newPdbId, boolean recurse) throws IOException { List> attrList = getStatusIdRecords(new String[] {newPdbId}); //Expect a single record if(attrList == null || attrList.size() != 1) { @@ -516,34 +524,34 @@ public static void clearCache() { /** * Fetches the status of one or more pdbIDs from the server. * - *

      Returns the results as a list of Attributes. + *

      + * Returns the results as a list of Attributes. * Each attribute should contain "structureId" and "status" attributes, and * possibly more. * - *

      Example:
      + *

      + * Example: + *

      * http://www.rcsb.org/pdb/rest/idStatus?structureID=1HHB,4HHB
      - *

      <idStatus>
-	 *  <record structureId="1HHB" status="OBSOLETE" replacedBy="4HHB"/>
-	 *  <record structureId="4HHB" status="CURRENT" replaces="1HHB"/>
-	 *</idStatus>
+	 * 
      +	 * <idStatus>
+	 *   <record structureId="1HHB" status="OBSOLETE" replacedBy="4HHB"/>
+	 *   <record structureId="4HHB" status="CURRENT" replaces="1HHB"/>
+	 * </idStatus>
 	 * 
      
 	 *
-	 * 
      Results are not guaranteed to be returned in the same order as pdbIDs.
+	 * 
      
+	 * Results are not guaranteed to be returned in the same order as pdbIDs.
 	 * Refer to the structureId property to match them.
 	 *
-	 * @param pdbIDs
+	 * @param pdbIDs the PDB identifiers
 	 * @return A map between attributes and values
 	 */
-	private static List> getStatusIdRecords(String[] pdbIDs) {
-
-		List> result = new ArrayList>(pdbIDs.length);
+	private static List> getStatusIdRecords(String[] pdbIDs) throws IOException {
 
-		String serverName = System.getProperty(PDB_SERVER_PROPERTY);
+		List> result = new ArrayList<>(pdbIDs.length);
 
-		if ( serverName == null)
-			serverName = DEFAULT_PDB_SERVER;
-		else
-			logger.info(String.format("Got System property %s=%s",PDB_SERVER_PROPERTY,serverName));
+		String serverName = DEFAULT_RCSB_DATA_API_SERVER;
 
 		// Build REST query URL
 		if(pdbIDs.length < 1) {
@@ -566,143 +574,65 @@ private static List> getStatusIdRecords(String[] pdbIDs) {
 			return result;
 		}
 
-		try {
-			logger.info("Fetching {}", urlStr);
+		logger.info("Fetching {}", urlStr);
 
-			URL url = new URL(urlStr);
+		URL url = new URL(urlStr);
 
-			InputStream uStream = url.openStream();
+		InputStream uStream = url.openStream();
 
-			InputSource source = new InputSource(uStream);
-			SAXParserFactory parserFactory = SAXParserFactory.newInstance();
-			SAXParser parser = parserFactory.newSAXParser();
-			XMLReader reader = parser.getXMLReader();
+		InputSource source = new InputSource(uStream);
+		SAXParserFactory parserFactory = SAXParserFactory.newInstance();
+		SAXParser parser = parserFactory.newSAXParser();
+		XMLReader reader = parser.getXMLReader();
 
-			PDBStatusXMLHandler handler = new PDBStatusXMLHandler();
+		PDBStatusXMLHandler handler = new PDBStatusXMLHandler();
 
-			reader.setContentHandler(handler);
-			reader.parse(source);
+		reader.setContentHandler(handler);
+		reader.parse(source);
 
-			// Fetch results of SAX parsing
-			List> records = handler.getRecords();
+		// Fetch results of SAX parsing
+		List> records = handler.getRecords();
 
-			//add to cache
-			for(Map record : records) {
-				String pdbId = record.get("structureId").toUpperCase();
-				if(pdbId != null) {
-					recordsCache.put(pdbId, record);
-				}
+		//add to cache
+		for (Map record : records) {
+			String pdbId = record.get("structureId").toUpperCase();
+			if (pdbId != null) {
+				recordsCache.put(pdbId, record);
 			}
-
-			// return results
-			result.addAll(handler.getRecords());
-
-			// TODO should throw these forward and let the caller log
-		} catch (IOException e){
-			logger.error("Problem getting status for {} from PDB server. Error: {}", Arrays.toString(pdbIDs), e.getMessage());
-			return null;
-		} catch (SAXException e) {
-			logger.error("Problem getting status for {} from PDB server. Error: {}", Arrays.toString(pdbIDs), e.getMessage());
-			return null;
-		} catch (ParserConfigurationException e) {
-			logger.error("Problem getting status for {} from PDB server. Error: {}", Arrays.toString(pdbIDs), e.getMessage());
-			return null;
 		}
 
+		// return results
+		result.addAll(handler.getRecords());
+
 		return result;
 	}
 
 	/**
-	 * Handles idStatus xml by storing attributes for all record elements.
-	 *
-	 * @author Spencer Bliven 
-	 *
-	 */
-	private static class PDBStatusXMLHandler extends DefaultHandler {
-		private List> records;
-
-		public PDBStatusXMLHandler() {
-			records = new ArrayList>();
-		}
-
-		/**
-		 * @param uri
-		 * @param localName
-		 * @param qName
-		 * @param attributes
-		 * @throws SAXException
-		 * @see org.xml.sax.helpers.DefaultHandler#startElement(java.lang.String, java.lang.String, java.lang.String, org.xml.sax.Attributes)
-		 */
-		@Override
-		public void startElement(String uri, String localName, String qName,
-		                         Attributes attributes) throws SAXException {
-			//System.out.format("Starting element: uri='%s' localName='%s' qName='%s'\n", uri, localName, qName);
-			if(qName.equals("record")) {
-				//Convert attributes into a Map, as it should have been.
-				//Important since SAX reuses Attributes objects for different calls
-				Map attrMap = new HashMap(attributes.getLength()*2);
-				for(int i=0;i> getRecords() {
-			return records;
-		}
-	}
-
-	/** Returns a list of current PDB IDs
+	 * Returns all current PDB IDs
 	 *
-	 * @return a list of PDB IDs, or null if a problem occurred
+	 * @return a list of PDB IDs
+	 * @throws IOException if a problem occurs retrieving the information
 	 */
-
 	public static SortedSet getCurrentPDBIds() throws IOException {
 
-		SortedSet allPDBs = new TreeSet();
-		String serverName = System.getProperty(PDB_SERVER_PROPERTY);
-
-		if ( serverName == null)
-			serverName = DEFAULT_PDB_SERVER;
-		else
-			logger.info(String.format("Got System property %s=%s",PDB_SERVER_PROPERTY,serverName));
+		//String serverName = System.getProperty(PDB_SERVER_PROPERTY);
+		String serverName = DEFAULT_RCSB_DATA_API_SERVER;
 
 		// Build REST query URL
-
-		String urlStr = String.format("http://%s/pdb/rest/getCurrent",serverName);
+		String urlStr = String.format(ALL_CURRENT_ENDPOINT, serverName);
 		URL u = new URL(urlStr);
 
 		InputStream stream = URLConnectionTools.getInputStream(u, 60000);
 
-		if (stream != null) {
-			BufferedReader reader = new BufferedReader(
-					new InputStreamReader(stream));
-
-			String line = null;
-
-			while ((line = reader.readLine()) != null) {
-				int index = line.lastIndexOf("structureId=");
-				if (index > 0) {
-					allPDBs.add(line.substring(index + 13, index + 17));
-				}
-			}
-		}
-		return allPDBs;
+		ObjectMapper objectMapper = new ObjectMapper();
+		TypeFactory typeFactory = objectMapper.getTypeFactory();
+		List pdbIdList = objectMapper.readValue(stream, typeFactory.constructCollectionType(List.class, String.class));
 
+		return new TreeSet<>(pdbIdList);
 	}
 
+	public static void main(String[] args) throws Exception {
+		SortedSet all = getCurrentPDBIds();
+		System.out.println("Number of current PDB ids is: " + all.size());
+	}
 }

From 0a70219111cbb9dfa5def02ec8368849724c2bf5 Mon Sep 17 00:00:00 2001
From: Jose Duarte 
Date: Sun, 22 Nov 2020 14:44:25 -0800
Subject: [PATCH 229/821] Now PDBStatus uses the current RCSB Data API

---
 .../org/biojava/nbio/structure/PDBStatus.java | 558 ++----------------
 .../nbio/structure/io/LocalPDBDirectory.java  |   2 +-
 .../biojava/nbio/structure/PDBStatusTest.java | 167 +-----
 3 files changed, 64 insertions(+), 663 deletions(-)

diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java
index 1fc54f9410..7abd790fb4 100644
--- a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java
+++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java
@@ -18,65 +18,29 @@
  *      http://www.biojava.org/
  *
  */
-/**
- *
- */
 package org.biojava.nbio.structure;
 
+import com.fasterxml.jackson.databind.JsonNode;
 import com.fasterxml.jackson.databind.ObjectMapper;
 import com.fasterxml.jackson.databind.type.TypeFactory;
 import org.biojava.nbio.structure.align.util.URLConnectionTools;
 import org.slf4j.Logger;
 import org.slf4j.LoggerFactory;
-import org.xml.sax.*;
-import org.xml.sax.helpers.DefaultHandler;
 
-import javax.xml.parsers.ParserConfigurationException;
-import javax.xml.parsers.SAXParser;
-import javax.xml.parsers.SAXParserFactory;
-import java.io.BufferedReader;
 import java.io.IOException;
 import java.io.InputStream;
-import java.io.InputStreamReader;
 import java.net.URL;
 import java.util.*;
 
 /**
- * Methods for getting the status of a PDB file (current, obsolete, etc)
+ * Methods for getting the status of a PDB file (current, obsolete, unreleased)
  * and for accessing different versions of the structure.
  *
  * 
      
  * All methods query the
  * 
  * RCSB Data REST API
- *
- * 
      
- * PDB supersessions form a directed acyclic graph, where edges point from an
- * obsolete ID to the entry that directly superseded it. For example, here are
- * edges from one portion of the graph:
- * 
      
- * 1CAT -> 3CAT
      
- * 3CAT -> 7CAT
      
- * 3CAT -> 8CAT
      
- *
- * 
      
- * The methods {@link #getReplaces(String, boolean) getReplaces(pdbId, false)}/
- * {@link #getReplacement(String, boolean, boolean) getReplacement(pdbId, false, true)}
- * just get the incoming/outgoing edges for a single node. The recursive versions
- * ({@link #getReplaces(String, boolean) getReplaces(pdbId, true)},
- * {@link #getReplacement(String, boolean, boolean) getReplacement(pdbId, true, false)})
- * will do a depth-first search up/down the tree and return a list of all nodes ]
- * reached.
- *
  * 
      
- * Finally, the {@link #getCurrent(String)} method returns a single PDB ID from among the
- * results of
- * {@link #getReplacement(String, boolean, boolean)}.
- * To be consistent with the old REST ordering, this is the PDB ID that occurs
- * last alphabetically.
- *
- * 
      
- * Results are cached to reduce server load.
  *
  * @author Spencer Bliven
  * @author Amr AL-Hossary
@@ -87,40 +51,21 @@ public class PDBStatus {
 
 	private static final Logger logger = LoggerFactory.getLogger(PDBStatus.class);
 
-	//public static final String DEFAULT_PDB_SERVER = "www.rcsb.org";
 	public static final String DEFAULT_RCSB_DATA_API_SERVER = "data.rcsb.org";
 	public static final String ALL_CURRENT_ENDPOINT = "https://%s/rest/v1/holdings/current/entry_ids";
+	public static final String STATUS_ENDPOINT = "https://%s/rest/v1/holdings/status/%s";
+	public static final String STATUS_LIST_ENDPOINT = "https://%s/rest/v1/holdings/status?ids=%s";
 
 	/**
-	 * saves the returned results for further use.
-	 *
-	 */
-	private static final Map> recordsCache= new Hashtable<>();
-
-	/**
-	 * Represents the status of PDB IDs. 'OBSOLETE' and 'CURRENT' are the most
-	 * common.
+	 * Represents a simplified 3 state status of PDB IDs.
 	 * @author Spencer Bliven
 	 *
 	 */
 	public enum Status {
-		// this is the list for unreleased: "AUCO" "AUTH" "HOLD" "HPUB" "POLC" "PROC" "REFI" "REPL" "WAIT" "WDRN"
-		// The remaining from below are removed-related: OBSOLETE, MODEL (not available in Data API).
-		// In Data API in rcsb_repository_holdings_insilico_models.status_code: 3 values "OBS", "TRSF", "WDRN" and 1 in  rcsb_repository_holdings_transferred.status_code: "TRSF"
-		// for current: CURRENT (not available in current API)
-		OBSOLETE,
+		// the simplified status enum in rcsb_repository_holdings_combined
+		REMOVED,
 		CURRENT,
-		AUTH,
-		HOLD,
-		HPUB,
-		POLC,
-		PROC,
-		REFI,
-		REPL,
-		WAIT,
-		WDRN,
-		MODEL,
-		UNKNOWN;
+		UNRELEASED;
 
 		/**
 		 * @throws IllegalArgumentException If the string is not recognized
@@ -128,32 +73,12 @@ public enum Status {
 		public static Status fromString(String statusStr) {
 			Status status;
 			String statusStrUpper = statusStr.toUpperCase();
-			if(statusStrUpper.equalsIgnoreCase("OBSOLETE"))
-				status = Status.OBSOLETE;
+			if(statusStrUpper.equalsIgnoreCase("REMOVED"))
+				status = Status.REMOVED;
 			else if(statusStrUpper.equalsIgnoreCase("CURRENT"))
 				status = Status.CURRENT;
-			else if(statusStrUpper.equalsIgnoreCase("AUTH"))
-				status = Status.AUTH;
-			else if(statusStrUpper.equalsIgnoreCase("HOLD"))
-				status = Status.HOLD;
-			else if(statusStrUpper.equalsIgnoreCase("HPUB"))
-				status = Status.HPUB;
-			else if(statusStrUpper.equalsIgnoreCase("POLC"))
-				status = Status.POLC;
-			else if(statusStrUpper.equalsIgnoreCase("PROC"))
-				status = Status.PROC;
-			else if(statusStrUpper.equalsIgnoreCase("REFI"))
-				status = Status.REFI;
-			else if(statusStrUpper.equalsIgnoreCase("REPL"))
-				status = Status.REPL;
-			else if(statusStrUpper.equalsIgnoreCase("WAIT"))
-				status = Status.WAIT;
-			else if(statusStrUpper.equalsIgnoreCase("WDRN"))
-				status = Status.WDRN;
-			else if(statusStrUpper.equalsIgnoreCase("MODEL"))
-				status = Status.MODEL;
-			else if(statusStrUpper.equalsIgnoreCase("UNKNOWN"))
-				status = Status.UNKNOWN;
+			else if(statusStrUpper.equalsIgnoreCase("UNRELEASED"))
+				status = Status.UNRELEASED;
 			else {
 				throw new IllegalArgumentException("Unable to parse status '"+statusStrUpper+"'.");
 			}
@@ -164,447 +89,81 @@ else if(statusStrUpper.equalsIgnoreCase("UNKNOWN"))
 	/**
 	 * Get the status of the PDB in question.
 	 *
-	 * @param pdbId
+	 * @param pdbId the id
 	 * @return The status, or null if an error occurred.
 	 */
 	public static Status getStatus(String pdbId) throws IOException {
-		Status[] statuses = getStatus(new String[] {pdbId});
-		if(statuses != null) {
-			assert(statuses.length == 1);
-			return statuses[0];
-		} else {
-			return null;
-		}
+		URL url = new URL(String.format(STATUS_ENDPOINT, DEFAULT_RCSB_DATA_API_SERVER, pdbId.toUpperCase()));
+		ObjectMapper objectMapper = new ObjectMapper();
+		JsonNode node = objectMapper.readValue(url.openStream(), JsonNode.class);
+		return parseStatusRecord(node);
 	}
 
 	/**
 	 * Get the status of the a collection of PDBs in question in a single query.
 	 *
 	 * @see #getStatus(String)
-	 * @param pdbIds
+	 * @param pdbIds the ids
 	 * @return The status array, or null if an error occurred.
 	 */
 	public static Status[] getStatus(String[] pdbIds) throws IOException {
-		Status[] statuses = new Status[pdbIds.length];
-
-		List> attrList = getStatusIdRecords(pdbIds);
-		//Expect a single record
-		if(attrList == null || attrList.size() != pdbIds.length) {
-			logger.error("Error getting Status for {} from the PDB website.", Arrays.toString(pdbIds));
-			return null;
-		}
 
+		URL url = new URL(String.format(STATUS_LIST_ENDPOINT, DEFAULT_RCSB_DATA_API_SERVER, String.join(",", pdbIds)));
 
-		for(int pdbNum = 0;pdbNum attrs : attrList) {
+		List statuses = new ArrayList<>();
 
-				//Check that the record matches pdbId
-				String id = attrs.get("structureId");
-				if(id == null || !id.equalsIgnoreCase(pdbIds[pdbNum])) {
-					continue;
-				}
-
-				//Check that the status is given
-				String statusStr = attrs.get("status");
-				Status status = null;
-				if(statusStr == null ) {
-					logger.error("No status returned for {}", pdbIds[pdbNum]);
-					statuses[pdbNum] = null;
-				} else {
-					status = Status.fromString(statusStr);
-				}
-
-				if(status == null) {
-					logger.error("Unknown status '{}'", statusStr);
-					statuses[pdbNum] = null;
-				}
+		ObjectMapper objectMapper = new ObjectMapper();
+		JsonNode node = objectMapper.readValue(url.openStream(), JsonNode.class);
 
-				statuses[pdbNum] = status;
-				foundAttr = true;
-			}
-			if(!foundAttr) {
-				logger.error("No result found for {}", pdbIds[pdbNum]);
-				statuses[pdbNum] = null;
+		if (node !=null && node.isArray()) {
+			for (JsonNode record : node) {
+				Status status = parseStatusRecord(record);
+				statuses.add(status);
 			}
 		}
 
-		return statuses;
-	}
-
-	/**
-	 * Gets the current version of a PDB ID. This is equivalent to selecting
-	 * the first element from
-	 * {@link #getReplacement(String,boolean,boolean)
-	 *
-	 * @param oldPdbId
-	 * @return The replacement for oldPdbId, or null if none are found or if an error occurred.
-	 */
-	public static String getCurrent(String oldPdbId) throws IOException {
-		List replacements = getReplacement(oldPdbId,true, false);
-		if(replacements != null && !replacements.isEmpty())
-			return replacements.get(0);
-		else
-			return null;
-	}
-
-	/**
-	 * Gets the PDB which superseded oldPdbId. For CURRENT IDs, this will
-	 * be itself. For obsolete IDs, the behavior depends on the recursion
-	 * parameter. If false, only IDs which directly supersede oldPdbId are
-	 * returned. If true, the replacements for obsolete records are recursively
-	 * fetched, yielding a list of all current replacements of oldPdbId.
-	 *
-	 *
-	 *
-	 * @param oldPdbId A pdb ID
-	 * @param recurse Indicates whether the replacements for obsolete records
-	 * 		should be fetched.
-	 * @param includeObsolete Indicates whether obsolete records should be
-	 * 		included in the results.
-	 * @return The PDB which replaced oldPdbId. This may be oldPdbId itself, for
-	 * 		current records. A return value of null indicates that the ID has
-	 * 		been removed from the PDB or that an error has occurred.
-	 */
-	public static List getReplacement(String oldPdbId, boolean recurse, boolean includeObsolete) throws IOException {
-		List> attrList = getStatusIdRecords(new String[] {oldPdbId});
-		//Expect a single record
-		if(attrList == null || attrList.size() != 1) {
-			logger.error("Error getting Status for {} from the PDB website.", oldPdbId);
-			return null;
-		}
-
-		Map attrs = attrList.get(0);
-
-		//Check that the record matches pdbId
-		String id = attrs.get("structureId");
-		if(id == null || !id.equalsIgnoreCase(oldPdbId)) {
-			logger.error("Results returned from the query don't match {}", oldPdbId);
-			return null;
-		}
-
-		//Check that the status is given
-		String statusStr = attrs.get("status");
-		if(statusStr == null ) {
-			logger.error("No status returned for {}", oldPdbId);
-			return null;
-		}
-
-		Status status = Status.fromString(statusStr);
-		if(status == null ) {
-			logger.error("Unknown status '{}'", statusStr);
-			return null;
+		if (statuses.size() != pdbIds.length) {
+			logger.warn("RCSB status request was for {} ids, but {} were returned", pdbIds.length, statuses.size());
 		}
 
-		// If we're current, just return
-		LinkedList results = new LinkedList<>();
-		switch(status) {
-			case CURRENT:
-				results.add(oldPdbId);
-				return results;
-			case OBSOLETE: {
-				String replacementStr = attrs.get("replacedBy");
-				if(replacementStr == null) {
-					logger.error("{} is OBSOLETE but lacks a replacedBy attribute.", oldPdbId);
-					return null;
-				}
-				replacementStr = replacementStr.toUpperCase();
-				//include this result
-				if(includeObsolete) {
-					results.add(oldPdbId);
-				}
-				// Some PDBs are not replaced.
-				if(replacementStr.equals("NONE")) {
-					return results; //empty
-				}
-
-				String[] replacements = replacementStr.split(" ");
-				Arrays.sort(replacements, new Comparator() {
-					@Override
-					public int compare(String o1, String o2) {
-						return o2.compareToIgnoreCase(o1);
-					}
-				});
-				for(String replacement : replacements) {
-
-					// Return the replacement.
-					if(recurse) {
-						List others = PDBStatus.getReplacement(replacement, recurse, includeObsolete);
-						mergeReversed(results,others);
-					}
-					else {
-						if(includeObsolete) {
-							mergeReversed(results,Arrays.asList(replacement));
-						} else {
-							// check status of replacement
-							Status replacementStatus = getStatus(replacement);
-							switch(replacementStatus) {
-								case OBSOLETE:
-									//ignore obsolete
-									break;
-								case CURRENT:
-								default:
-									// include it
-									mergeReversed(results,Arrays.asList(replacement));
-							}
-						}
-					}
-				}
-
-
-				return results;
-			}
-			case UNKNOWN:
-				return null;
-			default: { //TODO handle other cases explicitly. They might have other syntax than "replacedBy"
-				String replacementStr = attrs.get("replacedBy");
-
-				if(replacementStr == null) {
-					// If no "replacedBy" attribute, treat like we're current
-					// TODO is this correct?
-					results.add(oldPdbId);
-					return results;
-				}
-
-				replacementStr = replacementStr.toUpperCase();
-				// Some PDBs are not replaced.
-				if(replacementStr.equals("NONE")) {
-					return null;
-				}
-
-
-				//include this result, since it's not obsolete
-				results.add(oldPdbId);
-
-				String[] replacements = replacementStr.split(" ");
-				Arrays.sort(replacements, new Comparator() {
-					@Override
-					public int compare(String o1, String o2) {
-						return o2.compareToIgnoreCase(o1);
-					}
-				});
-				for(String replacement : replacements) {
-
-					// Return the replacement.
-					if(recurse) {
-						List others = PDBStatus.getReplacement(replacement, recurse, includeObsolete);
-						mergeReversed(results,others);
-					}
-					else {
-						mergeReversed(results,Arrays.asList(replacement));
-					}
-				}
-
-
-				return results;
-			}
-		}
+		return statuses.toArray(new Status[0]);
 	}
 
-	/**
-	 * Takes two reverse sorted lists of strings and merges the second into the
-	 * first. Duplicates are removed.
-	 *
-	 * @param merged A reverse sorted list. Modified by this method to contain
-	 * 		the contents of other.
-	 * @param other A reverse sorted list. Not modified.
-	 */
-	private static void mergeReversed(List merged,
-	                                  final List other) {
-
-		if(other.isEmpty())
-			return;
-
-		if(merged.isEmpty()) {
-			merged.addAll(other);
-			return;
-		}
-
-		ListIterator m = merged.listIterator();
-		ListIterator o = other.listIterator();
-
-		String nextM, prevO;
-		prevO = o.next();
-		while(m.hasNext()) {
-			// peek at m
-			nextM = m.next();
-			m.previous();
-
-			//insert from O until exhausted or occurs after nextM
-			while(prevO.compareTo(nextM) > 0) {
-				m.add(prevO);
-				if(!o.hasNext()) {
-					return;
-				}
-				prevO = o.next();
-			}
-			//remove duplicates
-			if(prevO.equals(nextM)) {
-				if(!o.hasNext()) {
-					return;
-				}
-				prevO = o.next();
-			}
-
-			m.next();
-		}
-		m.add(prevO);
-		while(o.hasNext()) {
-			m.add(o.next());
-		}
-
+	private static Status parseStatusRecord(JsonNode jsonNode) {
+		// "rcsb_repository_holdings_combined": {
+		//"id_code_replaced_by_latest": "4HHB",
+		//"status": "REMOVED",
+		//"status_code": "OBS"
+		//},
+		JsonNode rcsbRepoHoldingsNode = jsonNode.get("rcsb_repository_holdings_combined");
+		return Status.fromString(rcsbRepoHoldingsNode.get("status").asText());
 	}
 
-
 	/**
-	 * Get the ID of the protein which was made obsolete by newPdbId.
+	 * Gets the current version of a PDB ID.
 	 *
-	 * @param newPdbId PDB ID of the newer structure
-	 * @param recurse If true, return all ancestors of newPdbId.
-	 * 		Otherwise, just go one step newer than oldPdbId.
-	 * @return A (possibly empty) list of ID(s) of the ancestor(s) of
-	 * 		newPdbId, or null if an error occurred.
+	 * @param oldPdbId the id
+	 * @return The replacement for oldPdbId, or null if none are found.
+	 * If entry is current then the input PDB id is returned
 	 */
-	public static List getReplaces(String newPdbId, boolean recurse) throws IOException {
-		List> attrList = getStatusIdRecords(new String[] {newPdbId});
-		//Expect a single record
-		if(attrList == null || attrList.size() != 1) {
-			//TODO Is it possible to have multiple record per ID?
-			// They seem to be combined into one record with space-delimited 'replaces'
-			logger.error("Error getting Status for {} from the PDB website.", newPdbId);
-			return null;
-		}
-
-		Map attrs = attrList.get(0);
-
-		//Check that the record matches pdbId
-		String id = attrs.get("structureId");
-		if(id == null || !id.equals(newPdbId)) {
-			logger.error("Results returned from the query don't match {}", newPdbId);
-			return null;
-		}
-
-
-		String replacedList = attrs.get("replaces"); //space-delimited list
-		if(replacedList == null) {
-			// no replaces value; assume root
-			return new ArrayList();
-		}
-		String[] directDescendents = replacedList.split("\\s");
-
-		// Not the root! Return the replaced PDB.
-		if(recurse) {
-			// Note: Assumes a proper directed acyclic graph of revisions
-			// Cycles will cause infinite loops.
-			List allDescendents = new LinkedList();
-			for(String replaced : directDescendents) {
-				List roots = PDBStatus.getReplaces(replaced, recurse);
-				mergeReversed(allDescendents,roots);
-			}
-			mergeReversed(allDescendents,Arrays.asList(directDescendents));
-
-			return allDescendents;
+	public static String getCurrent(String oldPdbId) throws IOException {
+		URL url = new URL(String.format(STATUS_ENDPOINT, DEFAULT_RCSB_DATA_API_SERVER, oldPdbId.toUpperCase()));
+		ObjectMapper objectMapper = new ObjectMapper();
+		JsonNode node = objectMapper.readValue(url.openStream(), JsonNode.class);
+		JsonNode rcsbRepoHoldingsNode = node.get("rcsb_repository_holdings_combined");
+		Status st = Status.fromString(rcsbRepoHoldingsNode.get("status").asText());
+		if (st == Status.REMOVED) {
+			JsonNode replacedByNode = rcsbRepoHoldingsNode.get("id_code_replaced_by_latest");
+			if (replacedByNode != null)
+				return replacedByNode.asText();
+			else
+				return null;
+		} else if (st == Status.CURRENT) {
+			return oldPdbId;
 		} else {
-			return Arrays.asList(directDescendents);
-		}
-	}
-
-
-	/**
-	 * The status of PDB IDs are cached to reduce server overload.
-	 *
-	 * This method clears the cached records.
-	 */
-	public static void clearCache() {
-		recordsCache.clear();
-	}
-
-	/**
-	 * Fetches the status of one or more pdbIDs from the server.
-	 *
-	 * 
      
-	 * Returns the results as a list of Attributes.
-	 * Each attribute should contain "structureId" and "status" attributes, and
-	 * possibly more.
-	 *
-	 * 
      
-	 * Example:
-	 * 
      
-	 * http://www.rcsb.org/pdb/rest/idStatus?structureID=1HHB,4HHB
      
-	 * 
      -	 * <idStatus>
-	 *   <record structureId="1HHB" status="OBSOLETE" replacedBy="4HHB"/>
-	 *   <record structureId="4HHB" status="CURRENT" replaces="1HHB"/>
-	 * </idStatus>
-	 * 
      
-	 *
-	 * 
      
-	 * Results are not guaranteed to be returned in the same order as pdbIDs.
-	 * Refer to the structureId property to match them.
-	 *
-	 * @param pdbIDs the PDB identifiers
-	 * @return A map between attributes and values
-	 */
-	private static List> getStatusIdRecords(String[] pdbIDs) throws IOException {
-
-		List> result = new ArrayList<>(pdbIDs.length);
-
-		String serverName = DEFAULT_RCSB_DATA_API_SERVER;
-
-		// Build REST query URL
-		if(pdbIDs.length < 1) {
-			throw new IllegalArgumentException("No pdbIDs specified");
-		}
-		String urlStr = String.format("http://%s/pdb/rest/idStatus?structureId=",serverName);
-		for(String pdbId : pdbIDs) {
-			pdbId = pdbId.toUpperCase();
-			//check the cache
-			if (recordsCache.containsKey(pdbId)) {
-				//logger.debug("Fetching "+pdbId+" from Cache");
-				result.add( recordsCache.get(pdbId) );
-			} else {
-				urlStr += pdbId + ",";
-			}
-		}
-
-		// check if any ids still need fetching
-		if(urlStr.charAt(urlStr.length()-1) == '=') {
-			return result;
-		}
-
-		logger.info("Fetching {}", urlStr);
-
-		URL url = new URL(urlStr);
-
-		InputStream uStream = url.openStream();
-
-		InputSource source = new InputSource(uStream);
-		SAXParserFactory parserFactory = SAXParserFactory.newInstance();
-		SAXParser parser = parserFactory.newSAXParser();
-		XMLReader reader = parser.getXMLReader();
-
-		PDBStatusXMLHandler handler = new PDBStatusXMLHandler();
-
-		reader.setContentHandler(handler);
-		reader.parse(source);
-
-		// Fetch results of SAX parsing
-		List> records = handler.getRecords();
-
-		//add to cache
-		for (Map record : records) {
-			String pdbId = record.get("structureId").toUpperCase();
-			if (pdbId != null) {
-				recordsCache.put(pdbId, record);
-			}
+			return null;
 		}
 
-		// return results
-		result.addAll(handler.getRecords());
-
-		return result;
 	}
 
 	/**
@@ -615,11 +174,8 @@ private static List> getStatusIdRecords(String[] pdbIDs) thr
 	 */
 	public static SortedSet getCurrentPDBIds() throws IOException {
 
-		//String serverName = System.getProperty(PDB_SERVER_PROPERTY);
-		String serverName = DEFAULT_RCSB_DATA_API_SERVER;
-
 		// Build REST query URL
-		String urlStr = String.format(ALL_CURRENT_ENDPOINT, serverName);
+		String urlStr = String.format(ALL_CURRENT_ENDPOINT, DEFAULT_RCSB_DATA_API_SERVER);
 		URL u = new URL(urlStr);
 
 		InputStream stream = URLConnectionTools.getInputStream(u, 60000);
diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java
index 61735ecfa6..4dd31b25f6 100644
--- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java
+++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java
@@ -492,7 +492,7 @@ protected File downloadStructure(String pdbId) throws IOException{
 			}
 			return downloadStructure(current, splitDirURL,false, existing);
 		} else if(obsoleteBehavior == ObsoleteBehavior.FETCH_OBSOLETE
-				&& PDBStatus.getStatus(pdbId) == Status.OBSOLETE) {
+				&& PDBStatus.getStatus(pdbId) == Status.REMOVED) {
 			return downloadStructure(pdbId, obsoleteDirURL, true, existing);
 		} else {
 			return downloadStructure(pdbId, splitDirURL, false, existing);
diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/PDBStatusTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/PDBStatusTest.java
index 8bcd2d1e98..bda33d98ab 100644
--- a/biojava-structure/src/test/java/org/biojava/nbio/structure/PDBStatusTest.java
+++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/PDBStatusTest.java
@@ -18,17 +18,14 @@
  *      http://www.biojava.org/
  *
  */
-/**
- *
- */
 package org.biojava.nbio.structure;
 
 import org.biojava.nbio.structure.PDBStatus.Status;
 import org.junit.Assert;
 import org.junit.Test;
 
-import java.lang.reflect.Method;
-import java.util.*;
+import java.io.IOException;
+
 
 /**
  * @author Spencer Bliven 
@@ -46,172 +43,20 @@ public class PDBStatusTest {
 	 *
      */ @Test - public void testGetStatus() { - Assert.assertEquals(Status.OBSOLETE, PDBStatus.getStatus("1HHB")); + public void testGetStatus() throws IOException { + Assert.assertEquals(Status.REMOVED, PDBStatus.getStatus("1HHB")); Assert.assertEquals(Status.CURRENT, PDBStatus.getStatus("3HHB")); Assert.assertEquals(Status.CURRENT, PDBStatus.getStatus("4HHB")); } @Test - public void testGetReplacement() { - Assert.assertFalse(Arrays.asList("YES").equals(Arrays.asList("NO"))); //check for deep equals - - // 1CMW is replacedBy NONE - Assert.assertEquals(Arrays.asList(), PDBStatus.getReplacement("1CMW", true, false)); - Assert.assertEquals(Arrays.asList("1CMW"), PDBStatus.getReplacement("1CMW", true, true)); - - // 1HHB is replacedBy 2-4HHB - Assert.assertEquals(Arrays.asList("3HHB"), PDBStatus.getReplacement("3HHB", false, false)); - Assert.assertEquals(Arrays.asList("3HHB"), PDBStatus.getReplacement("3HHB", false, true)); - Assert.assertEquals(Arrays.asList("4HHB", "3HHB", "2HHB"), PDBStatus.getReplacement("1HHB", false, false)); - Assert.assertEquals(Arrays.asList("4HHB", "3HHB", "2HHB", "1HHB"), PDBStatus.getReplacement("1HHB", false, true)); - - // 1CAT is replacedBy 3CAT is replacedBy 7-8CAT - Assert.assertEquals(Arrays.asList("8CAT", "7CAT", "3CAT", "1CAT"), PDBStatus.getReplacement("1CAT", true, true)); - Assert.assertEquals(Arrays.asList("8CAT", "7CAT"), PDBStatus.getReplacement("1CAT", true, false)); - Assert.assertEquals(Arrays.asList("8CAT", "7CAT", "3CAT"), PDBStatus.getReplacement("3CAT", true, true)); - Assert.assertEquals(Arrays.asList("8CAT", "7CAT"), PDBStatus.getReplacement("3CAT", true, false)); - } - - - @Test - public void testGetCurrent() { + public void testGetCurrent() throws IOException { Assert.assertEquals("4HHB", PDBStatus.getCurrent("1HHB")); Assert.assertEquals("3HHB", PDBStatus.getCurrent("3HHB")); - Assert.assertEquals(null, PDBStatus.getCurrent("1CMW")); + Assert.assertNull(PDBStatus.getCurrent("1CMW")); Assert.assertEquals("3ENI", PDBStatus.getCurrent("1KSA")); Assert.assertEquals("8CAT", PDBStatus.getCurrent("1CAT")); Assert.assertEquals("8CAT", PDBStatus.getCurrent("3CAT")); Assert.assertEquals("7CAT", PDBStatus.getCurrent("7CAT")); } - - @Test - public void testGetReplaces() { - Assert.assertEquals(new ArrayList(), Arrays.asList(new String[]{})); - - Assert.assertEquals(Arrays.asList("1HHB"), PDBStatus.getReplaces("4HHB", false)); - Assert.assertEquals(Arrays.asList("1HHB"), PDBStatus.getReplaces("3HHB", false)); - Assert.assertEquals(Arrays.asList(), PDBStatus.getReplaces("1HHB", false)); - Assert.assertEquals(Arrays.asList("1M50", "1KSA"), PDBStatus.getReplaces("3ENI", false)); - Assert.assertEquals(Arrays.asList("1M50", "1KSA"), PDBStatus.getReplaces("3ENI", true)); - Assert.assertEquals(Arrays.asList("3CAT"), PDBStatus.getReplaces("8CAT", false)); - Assert.assertEquals(Arrays.asList("3CAT", "1CAT"), PDBStatus.getReplaces("8CAT", true)); - - } - - /** - * Tests a helper method for merging that was giving me problems - */ - @Test - public void testMergeReversed() { - try { - Method mergeReversed = PDBStatus.class.getDeclaredMethod("mergeReversed", - List.class,List.class); - mergeReversed.setAccessible(true); - - - List a,b; - - b = Arrays.asList("F","A"); - a = new LinkedList(); - mergeReversed.invoke(null, a,b); - Assert.assertEquals(Arrays.asList("F", "A"), a); - - a = new LinkedList(); - a.add("B"); - mergeReversed.invoke(null, a,b); - Assert.assertEquals(Arrays.asList("F", "B", "A"), a); - - a = new LinkedList(); - a.add("G"); - mergeReversed.invoke(null, a,b); - Assert.assertEquals(Arrays.asList("G", "F", "A"), a); - - a = new LinkedList(); - a.add("1"); - mergeReversed.invoke(null, a,b); - Assert.assertEquals(Arrays.asList("F", "A", "1"), a); - - a = new LinkedList(); - a.add("G"); - a.add("1"); - mergeReversed.invoke(null, a,b); - Assert.assertEquals(Arrays.asList("G", "F", "A", "1"), a); - - b = Arrays.asList(); - mergeReversed.invoke(null, a,b); - Assert.assertEquals(Arrays.asList("G", "F", "A", "1"), a); - - b = Arrays.asList("G","D","C","A"); - a = new LinkedList(); - a.add("F"); - a.add("B"); - a.add("1"); - mergeReversed.invoke(null, a,b); - Assert.assertEquals(Arrays.asList("G", "F", "D", "C", "B", "A", "1"), a); - - } catch(Exception e) { - e.printStackTrace(); - Assert.fail(e.getMessage()); - } - } - - /** - * Test low-level connectivity to the PDB - */ - @Test - @SuppressWarnings("unchecked") - public void testGetStatusIdRecords() { - try { - Method getStatusIdRecords = PDBStatus.class.getDeclaredMethod("getStatusIdRecords", - String[].class); - getStatusIdRecords.setAccessible(true); - - - List> attrsList; - String[] pdbIds; - Map attrs; - - // Test invocation with a single ID - pdbIds = new String[] {"1HHB"}; - attrsList = (List>) getStatusIdRecords.invoke(null, (Object) pdbIds); - Assert.assertEquals("Wrong number of records.", 1, attrsList.size()); - attrs = attrsList.get(0); - Assert.assertEquals("Wrong number of attributes", 3, attrs.size()); - Assert.assertEquals("Wrong structureId", "1HHB", attrs.get("structureId")); - Assert.assertEquals("Wrong status", "OBSOLETE", attrs.get("status")); - Assert.assertEquals("Wrong replacedBy", "4HHB 3HHB 2HHB", attrs.get("replacedBy")); - - // Test with multiple IDs - pdbIds = new String[] {"1HHB","4HHB"}; - attrsList = (List>) getStatusIdRecords.invoke(null, (Object) pdbIds); - Assert.assertEquals("Wrong number of records.", 2, attrsList.size()); - attrs = attrsList.get(1); - Assert.assertEquals("Wrong number of attributes", 3, attrs.size()); - Assert.assertEquals("Wrong structureId", "4HHB", attrs.get("structureId")); - Assert.assertEquals("Wrong status", "CURRENT", attrs.get("status")); - Assert.assertEquals("Wrong replaces", "1HHB", attrs.get("replaces")); - attrs = attrsList.get(0); - Assert.assertEquals("Wrong number of attributes", 3, attrs.size()); - Assert.assertEquals("Wrong structureId", "1HHB", attrs.get("structureId")); - Assert.assertEquals("Wrong status", "OBSOLETE", attrs.get("status")); - Assert.assertEquals("Wrong replacedBy", "4HHB 3HHB 2HHB", attrs.get("replacedBy")); - - // Test invocation with a single ID - pdbIds = new String[] {"3ENI"}; - attrsList = (List>) getStatusIdRecords.invoke(null, (Object) pdbIds); - Assert.assertEquals("Wrong number of records.", 1, attrsList.size()); - attrs = attrsList.get(0); - Assert.assertEquals("Wrong number of attributes", 3, attrs.size()); - Assert.assertEquals("Wrong structureId", "3ENI", attrs.get("structureId")); - Assert.assertEquals("Wrong status", "CURRENT", attrs.get("status")); - Assert.assertEquals("Wrong replacedBy", "1M50 1KSA", attrs.get("replaces")); - - - } catch(Exception e) { - e.printStackTrace(); - Assert.fail(e.getMessage()); - } - } - } From ef35e93ecfab2f654f14d58299aa75f113e939bf Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sun, 22 Nov 2020 15:54:01 -0800 Subject: [PATCH 230/821] Docs --- CHANGELOG.md | 2 ++ .../java/org/biojava/nbio/structure/PDBStatus.java | 10 +++++----- 2 files changed, 7 insertions(+), 5 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 00a530e652..22f265c548 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -13,6 +13,8 @@ BioJava 6.0.0 (future release) * The whole `org.biojava.nbio.structure.validation` package * The `org.biojava.nbio.structure.domain.PDBDomainProvider` class to pull domain definitions from legacy RCSB PDB APIs * Support for automatically fetching dssp files from RCSB (`org.biojava.nbio.structure.secstruc.DSSPParser.fetch()`) +* `org.biojava.nbio.structure.PDBStatus`: simplified `Status` enum to 3 states, with OBSOLETE now called REMOVED +* `org.biojava.nbio.structure.PDBStatus`: removed `getReplacement` and `getReplaces` BioJava 5.4.0 ============= diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java index 7abd790fb4..0ded68c05c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java @@ -59,7 +59,6 @@ public class PDBStatus { /** * Represents a simplified 3 state status of PDB IDs. * @author Spencer Bliven - * */ public enum Status { // the simplified status enum in rcsb_repository_holdings_combined @@ -87,10 +86,10 @@ else if(statusStrUpper.equalsIgnoreCase("UNRELEASED")) } /** - * Get the status of the PDB in question. + * Get the status of a PDB id. * * @param pdbId the id - * @return The status, or null if an error occurred. + * @return The status. */ public static Status getStatus(String pdbId) throws IOException { URL url = new URL(String.format(STATUS_ENDPOINT, DEFAULT_RCSB_DATA_API_SERVER, pdbId.toUpperCase())); @@ -100,11 +99,11 @@ public static Status getStatus(String pdbId) throws IOException { } /** - * Get the status of the a collection of PDBs in question in a single query. + * Get the status of a collection of PDB ids (in a single API query). * * @see #getStatus(String) * @param pdbIds the ids - * @return The status array, or null if an error occurred. + * @return The status array */ public static Status[] getStatus(String[] pdbIds) throws IOException { @@ -130,6 +129,7 @@ public static Status[] getStatus(String[] pdbIds) throws IOException { } private static Status parseStatusRecord(JsonNode jsonNode) { + // e.g. // "rcsb_repository_holdings_combined": { //"id_code_replaced_by_latest": "4HHB", //"status": "REMOVED", From 95db39cc4f17fdce3373e5145e52504f14d8643e Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sun, 22 Nov 2020 16:30:08 -0800 Subject: [PATCH 231/821] One more test --- .../java/org/biojava/nbio/structure/PDBStatusTest.java | 10 +++++++++- 1 file changed, 9 insertions(+), 1 deletion(-) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/PDBStatusTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/PDBStatusTest.java index bda33d98ab..82e26bd802 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/PDBStatusTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/PDBStatusTest.java @@ -26,7 +26,6 @@ import java.io.IOException; - /** * @author Spencer Bliven * @@ -49,6 +48,15 @@ public void testGetStatus() throws IOException { Assert.assertEquals(Status.CURRENT, PDBStatus.getStatus("4HHB")); } + @Test + public void testGetStatusMultipleIds() throws IOException { + String[] ids = {"1HHB", "3HHB", "4HHB"}; + Status[] statuses = PDBStatus.getStatus(ids); + Assert.assertEquals(Status.REMOVED, statuses[0]); + Assert.assertEquals(Status.CURRENT, statuses[1]); + Assert.assertEquals(Status.CURRENT, statuses[2]); + } + @Test public void testGetCurrent() throws IOException { Assert.assertEquals("4HHB", PDBStatus.getCurrent("1HHB")); From 245742d522d12440ece32f5c2d665ff81c465e98 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Tue, 24 Nov 2020 14:11:19 -0800 Subject: [PATCH 232/821] Fixing test --- .../test/symmetry/TestQuatSymmetryDetectorExamples.java | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java index b5a8a5a2e1..aab2ec5c89 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java @@ -240,7 +240,7 @@ public void testLocal() throws IOException, StructureException { testIds.add("BIO:3JC9:1"); testStoichiometries.add("A12B12C12D12E12F12G5H2"); localSymmetries = new HashMap<>(); - localSymmetries.put("A12C12D12E12F12H2","C2"); + localSymmetries.put("A12B12C12D12E12H2","C2"); localSymmetries.put("A12B12C12D12E12F12","C12"); localSymmetries.put("G5","H"); testLocalSymmetries.add(localSymmetries); @@ -268,7 +268,7 @@ public void testLocal() throws IOException, StructureException { for (QuatSymmetryResults local:foundLocal) { logger.info("Found stoichiometry "+local.getStoichiometry().toString()+" with symmetry "+local.getSymmetry()); assertTrue("Stoichiometry "+local.getStoichiometry().toString()+" not expected for "+testIds.get(iTest), - refLocal.keySet().contains(local.getStoichiometry().toString())); + refLocal.containsKey(local.getStoichiometry().toString())); assertEquals("Symmetry "+local.getSymmetry()+" with stoichiometry "+local.getStoichiometry().toString()+ " not expected for "+testIds.get(iTest), From 203f5e38252958bf8ac145861d412d88a888f359 Mon Sep 17 00:00:00 2001 From: Bhat Date: Wed, 25 Nov 2020 13:30:52 -0600 Subject: [PATCH 233/821] Flaky Test Fixed in TestStructureSerialization --- .../src/main/java/org/biojava/nbio/structure/PDBHeader.java | 1 + 1 file changed, 1 insertion(+) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java index dbcc0f794c..eb7245dffa 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java @@ -108,6 +108,7 @@ public String toString(){ Class c = Class.forName(PDBHeader.class.getName()); Method[] methods = c.getMethods(); + Arrays.sort(methods, (o1, o2)->o1.getName().compareTo(o2.getName())); for (Method m : methods) { String name = m.getName(); From 846c13f1f0e6257bd24ea1b6ae12380f74b60eb9 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Wed, 25 Nov 2020 11:51:37 -0800 Subject: [PATCH 234/821] Corrections suggested in review --- .../org/biojava/nbio/structure/PDBStatus.java | 20 +++++++++---------- 1 file changed, 9 insertions(+), 11 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java index 0ded68c05c..29203825a6 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java @@ -33,7 +33,7 @@ import java.util.*; /** - * Methods for getting the status of a PDB file (current, obsolete, unreleased) + * Methods for getting the status of a PDB file (current, removed, unreleased) * and for accessing different versions of the structure. * *

      @@ -70,18 +70,16 @@ public enum Status { * @throws IllegalArgumentException If the string is not recognized */ public static Status fromString(String statusStr) { - Status status; - String statusStrUpper = statusStr.toUpperCase(); - if(statusStrUpper.equalsIgnoreCase("REMOVED")) - status = Status.REMOVED; - else if(statusStrUpper.equalsIgnoreCase("CURRENT")) - status = Status.CURRENT; - else if(statusStrUpper.equalsIgnoreCase("UNRELEASED")) - status = Status.UNRELEASED; + if (statusStr == null) return null; + if(statusStr.equalsIgnoreCase("REMOVED")) + return Status.REMOVED; + else if(statusStr.equalsIgnoreCase("CURRENT")) + return Status.CURRENT; + else if(statusStr.equalsIgnoreCase("UNRELEASED")) + return Status.UNRELEASED; else { - throw new IllegalArgumentException("Unable to parse status '"+statusStrUpper+"'."); + throw new IllegalArgumentException("Unable to parse status '"+statusStr+"'."); } - return status; } } From f04effa094b239fbba573a110aeb02a75624cfa3 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Wed, 25 Nov 2020 11:55:12 -0800 Subject: [PATCH 235/821] Better handlng of null --- .../src/main/java/org/biojava/nbio/structure/PDBStatus.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java index 29203825a6..dd69115c91 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java @@ -70,7 +70,7 @@ public enum Status { * @throws IllegalArgumentException If the string is not recognized */ public static Status fromString(String statusStr) { - if (statusStr == null) return null; + if (statusStr == null) throw new IllegalArgumentException("Status string can't be null"); if(statusStr.equalsIgnoreCase("REMOVED")) return Status.REMOVED; else if(statusStr.equalsIgnoreCase("CURRENT")) From 13565b17d4d6729d4c3e86d7f42b53871133ce98 Mon Sep 17 00:00:00 2001 From: Spencer Bliven Date: Mon, 7 Dec 2020 17:32:47 +0100 Subject: [PATCH 236/821] Revert "Flaky Test Fixed in TestStructureSerialization" --- .../src/main/java/org/biojava/nbio/structure/PDBHeader.java | 1 - 1 file changed, 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java index eb7245dffa..dbcc0f794c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java @@ -108,7 +108,6 @@ public String toString(){ Class c = Class.forName(PDBHeader.class.getName()); Method[] methods = c.getMethods(); - Arrays.sort(methods, (o1, o2)->o1.getName().compareTo(o2.getName())); for (Method m : methods) { String name = m.getName(); From c290ea9af37a8e2c381437c488d426626259a3cd Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Wed, 13 Jan 2021 11:50:05 -0800 Subject: [PATCH 237/821] wip (most of structure parsing done) --- .../structure/gui/util/PDBUploadPanel.java | 1 - .../java/demo/DemoChangeChemCompProvider.java | 64 +- .../src/main/java/demo/DemoMMCIFReader.java | 1 - .../java/demo/DemoMmcifToPdbConverter.java | 47 +- .../nbio/structure/AtomPositionMap.java | 5 +- .../org/biojava/nbio/structure/Chain.java | 1 - .../org/biojava/nbio/structure/ChainImpl.java | 7 +- .../nbio/structure/DatabasePDBRevRecord.java | 62 + .../nbio/structure/DatabasePdbRevRecord.java | 43 - .../org/biojava/nbio/structure/Group.java | 99 +- .../org/biojava/nbio/structure/GroupType.java | 4 +- .../biojava/nbio/structure/HetatomImpl.java | 22 +- .../org/biojava/nbio/structure/PDBHeader.java | 6 +- .../biojava/nbio/structure/StructureIO.java | 7 +- .../biojava/nbio/structure/URLIdentifier.java | 42 +- .../nbio/structure/align/util/AtomCache.java | 5 +- .../structure/chem/AllChemCompProvider.java | 185 ++ .../biojava/nbio/structure/chem/ChemComp.java | 405 +++ .../nbio/structure/chem/ChemCompAtom.java | 205 ++ .../nbio/structure/chem/ChemCompBond.java | 114 + .../structure/chem/ChemCompContainer.java | 13 + .../structure/chem/ChemCompDescriptor.java | 80 + .../structure/chem/ChemCompGroupFactory.java | 131 + .../nbio/structure/chem/ChemCompProvider.java | 15 + .../nbio/structure/chem/ChemCompTools.java | 209 ++ .../chem/ChemicalComponentDictionary.java | 104 + .../chem/DownloadChemCompProvider.java | 420 ++++ .../nbio/structure/chem/PolymerType.java | 161 ++ .../chem/ReducedChemCompProvider.java | 56 + .../nbio/structure/chem/ResidueType.java | 125 + .../structure/contact/StructureInterface.java | 7 +- .../biojava/nbio/structure/io/BondMaker.java | 69 +- .../nbio/structure/io/FileConvert.java | 64 +- .../nbio/structure/io/MMCIFFileReader.java | 143 -- ...Impl.java => AbstractCifFileSupplier.java} | 68 +- .../structure/io/cif/ChainSupplierImpl.java | 20 + .../structure/io/cif/ChemCompConsumer.java | 14 + .../io/cif/ChemCompConsumerImpl.java | 70 + .../nbio/structure/io/cif/CifBean.java | 12 + .../structure/io/cif/CifFileConsumer.java | 274 +-- .../structure/io/cif/CifFileConverter.java | 52 +- .../structure/io/cif/CifFileSupplier.java | 4 +- .../structure/io/cif/StructureConsumer.java | 320 +++ ...erImpl.java => StructureConsumerImpl.java} | 152 +- .../io/cif/StructureSupplierImpl.java | 28 + .../io/mmcif/AllChemCompProvider.java | 246 -- .../structure/io/mmcif/ChemCompConsumer.java | 327 --- .../io/mmcif/ChemCompGroupFactory.java | 168 -- .../structure/io/mmcif/ChemCompProvider.java | 39 - .../io/mmcif/ChemicalComponentDictionary.java | 143 -- .../io/mmcif/DownloadChemCompProvider.java | 507 ---- .../structure/io/mmcif/MMCIFFileTools.java | 575 ----- .../structure/io/mmcif/MMcifConsumer.java | 116 - .../nbio/structure/io/mmcif/MMcifParser.java | 66 - .../structure/io/mmcif/MetalBondConsumer.java | 294 --- .../structure/io/mmcif/MetalBondParser.java | 86 - .../io/mmcif/ReducedChemCompProvider.java | 91 - .../io/mmcif/SimpleMMcifConsumer.java | 2167 ----------------- .../structure/io/mmcif/SimpleMMcifParser.java | 1281 ---------- .../io/mmcif/ZipChemCompProvider.java | 313 --- .../io/mmcif/chem/ChemCompTools.java | 261 -- .../io/mmcif/chem/MetalBondDistance.java | 76 - .../structure/io/mmcif/chem/PolymerType.java | 191 -- .../structure/io/mmcif/chem/ResidueType.java | 150 -- .../io/mmcif/model/AbstractBean.java | 103 - .../structure/io/mmcif/model/AtomSite.java | 218 -- .../structure/io/mmcif/model/AtomSites.java | 421 ---- .../structure/io/mmcif/model/AuditAuthor.java | 51 - .../structure/io/mmcif/model/CIFLabel.java | 38 - .../nbio/structure/io/mmcif/model/Cell.java | 143 -- .../structure/io/mmcif/model/ChemComp.java | 618 ----- .../io/mmcif/model/ChemCompAtom.java | 219 -- .../io/mmcif/model/ChemCompBond.java | 133 - .../io/mmcif/model/ChemCompDescriptor.java | 136 -- .../io/mmcif/model/DatabasePDBremark.java | 41 - .../io/mmcif/model/DatabasePDBrev.java | 83 - .../io/mmcif/model/DatabasePdbrevRecord.java | 69 - .../nbio/structure/io/mmcif/model/Entity.java | 123 - .../structure/io/mmcif/model/EntityPoly.java | 152 -- .../io/mmcif/model/EntityPolySeq.java | 72 - .../io/mmcif/model/EntitySrcGen.java | 427 ---- .../io/mmcif/model/EntitySrcNat.java | 224 -- .../io/mmcif/model/EntitySrcSyn.java | 75 - .../nbio/structure/io/mmcif/model/Exptl.java | 98 - .../structure/io/mmcif/model/IgnoreField.java | 37 - .../mmcif/model/PdbxAuditRevisionHistory.java | 66 - .../mmcif/model/PdbxChemCompDescriptor.java | 71 - .../mmcif/model/PdbxChemCompIdentifier.java | 73 - .../io/mmcif/model/PdbxDatabaseStatus.java | 101 - .../io/mmcif/model/PdbxEntityNonPoly.java | 51 - .../io/mmcif/model/PdbxNonPolyScheme.java | 107 - .../io/mmcif/model/PdbxPolySeqScheme.java | 117 - .../io/mmcif/model/PdbxStructAssembly.java | 85 - .../io/mmcif/model/PdbxStructAssemblyGen.java | 67 - .../PdbxStructAssemblyGenXMLContainer.java | 101 - .../model/PdbxStructAssemblyXMLContainer.java | 99 - .../io/mmcif/model/PdbxStructOperList.java | 222 -- .../model/PdbxStructOperListXMLContainer.java | 101 - .../nbio/structure/io/mmcif/model/Refine.java | 658 ----- .../nbio/structure/io/mmcif/model/Struct.java | 86 - .../structure/io/mmcif/model/StructAsym.java | 68 - .../structure/io/mmcif/model/StructConn.java | 466 ---- .../io/mmcif/model/StructKeywords.java | 46 - .../io/mmcif/model/StructNcsOper.java | 282 --- .../structure/io/mmcif/model/StructRef.java | 89 - .../io/mmcif/model/StructRefSeq.java | 146 -- .../io/mmcif/model/StructRefSeqDif.java | 147 -- .../structure/io/mmcif/model/StructSite.java | 114 - .../io/mmcif/model/StructSiteGen.java | 166 -- .../structure/io/mmcif/model/Symmetry.java | 71 - .../io/mmcif/model/package-info.java | 24 - .../nbio/structure/io/mmcif/package-info.java | 26 - .../quaternary/BiologicalAssemblyBuilder.java | 157 +- .../biojava/nbio/structure/TestAtomCache.java | 1 - .../structure/align/util/AtomCacheTest.java | 1 - 115 files changed, 3085 insertions(+), 15238 deletions(-) create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePdbRevRecord.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompBond.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompContainer.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompDescriptor.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompGroupFactory.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/PolymerType.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ResidueType.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/MMCIFFileReader.java rename biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/{CifFileSupplierImpl.java => AbstractCifFileSupplier.java} (84%) create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChainSupplierImpl.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifBean.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumer.java rename biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/{CifFileConsumerImpl.java => StructureConsumerImpl.java} (89%) create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureSupplierImpl.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/AllChemCompProvider.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompConsumer.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompGroupFactory.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompProvider.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemicalComponentDictionary.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/DownloadChemCompProvider.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMCIFFileTools.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMcifConsumer.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMcifParser.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MetalBondConsumer.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MetalBondParser.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ReducedChemCompProvider.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/SimpleMMcifConsumer.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/SimpleMMcifParser.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ZipChemCompProvider.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/ChemCompTools.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/MetalBondDistance.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/PolymerType.java delete mode 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b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/gui/util/PDBUploadPanel.java @@ -26,7 +26,6 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.io.MMCIFFileReader; import org.biojava.nbio.structure.io.PDBFileReader; import org.biojava.nbio.structure.io.StructureIOFile; import org.slf4j.Logger; diff --git a/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java b/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java index 756c44302f..b8e4eb5430 100644 --- a/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java +++ b/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java @@ -23,35 +23,33 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.chem.AllChemCompProvider; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ChemCompProvider; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileReader; -import org.biojava.nbio.structure.io.mmcif.AllChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.ChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import java.util.List; - /** - * This demo shows how to use an alternative ChemCompProvider. The default mechanism in BioJava is to access chemical components - * by using the {@link DownloadChemCompProvider}. It fetches and locally caches chemical component definitions as they are encountered during file parsing. - * It can be enabled by using the {@link FileParsingParameters#setLoadChemCompInfo(boolean)} method. + * This demo shows how to use an alternative ChemCompProvider. The default mechanism in BioJava is to access chemical + * componentsby using the {@link DownloadChemCompProvider}. It fetches and locally caches chemical component + * definitions as they are encountered during file parsing. It can be enabled by using the + * {@link FileParsingParameters#setLoadChemCompInfo(boolean)} method. * - * The {@link AllChemCompProvider} downloads and unpacks all chemcomps. It is slower and requires more memory than the default {@link DownloadChemCompProvider}, - * but it avoids network access to the FTP site, if a new chemcomp is detected, that has not been downloaded yet. + * The {@link AllChemCompProvider} downloads and unpacks all chemcomps. It is slower and requires more memory than the + * default {@link DownloadChemCompProvider}, but it avoids network access to the FTP site, if a new chemcomp is + * detected, that has not been downloaded yet. * * Since all chemcomps will be kept in memory, the standard memory that is available to a JVM will not be sufficient * in order to run this demo. Please start with -Xmx200M * * @author Andreas Prlic - * */ public class DemoChangeChemCompProvider { - public static void main(String[] args){ String pdbId = "1O1G"; - boolean loadChemComp = true; ////// @@ -66,82 +64,60 @@ public static void main(String[] args){ // or via // by setting the PDB_PATH environmental variable or system property // when running the demo (e.g. -DPDB_DIR=/path/to/pdb) - - if ( loadChemComp) { - + if (loadChemComp) { // The AllChemCompProvider loads all chem comps at startup. // This is slow (13 sec on my laptop) and requires more // memory than the default DownloadChemCompProvider. // In contrast to it it keeps all definitions in memory. ChemCompProvider all = new AllChemCompProvider(); - ChemCompGroupFactory.setChemCompProvider(all); } DemoChangeChemCompProvider demo = new DemoChangeChemCompProvider(); // run the demo - demo.basicLoad(reader,loadChemComp, pdbId); - + demo.basicLoad(reader, pdbId); } - public void basicLoad(PDBFileReader reader, boolean loadChemComp, String pdbId){ - + public void basicLoad(PDBFileReader reader, String pdbId) { try { // configure the parameters of file parsing - FileParsingParameters params = new FileParsingParameters(); - // should the ATOM and SEQRES residues be aligned when creating the internal data model? // only do this if you need to work with SEQRES sequences. If all you need are ATOMs, then // set it to false to have quicker file loading. params.setAlignSeqRes(true); - // // should secondary structure get parsed from the file params.setParseSecStruc(false); - reader.setFileParsingParameters(params); - Structure struc = reader.getStructureById(pdbId); - printStructure(struc); - - } catch (Exception e){ e.printStackTrace(); } - } private void printStructure(Structure struc) { - System.out.println(struc); - - //Chain c = struc.getChainByPDB("C"); String pdbid = struc.getPDBCode(); for (int i = 0; i < struc.nrModels(); i++) { - // loop chain for (Chain ch : struc.getModel(i)) { - if (! ch.getName().equals("A") ) + if (!ch.getName().equals("A")) { continue; - System.out.println(pdbid + ">>>" + ch.getName() + ">>>" - + ch.getAtomSequence()); - System.out.println(pdbid + ">>>" + ch.getName() + ">>>" - + ch.getSeqResSequence()); + } + System.out.println(pdbid + ">>>" + ch.getName() + ">>>" + ch.getAtomSequence()); + System.out.println(pdbid + ">>>" + ch.getName() + ">>>" + ch.getSeqResSequence()); // Test the getAtomGroups() and getSeqResGroups() method - List group = ch.getSeqResGroups(); int seqPos = 0; for (Group gp : group) { - System.out.println(ch.getName() + ":"+seqPos + ":" + gp.getResidueNumber() + ":" - + gp.getPDBName() + " " + gp.getType()); + System.out.println(ch.getName() + ":" + seqPos + ":" + gp.getResidueNumber() + ":" + + gp.getPDBName() + " " + gp.getType()); seqPos++; } } } - - } } diff --git a/biojava-structure/src/main/java/demo/DemoMMCIFReader.java b/biojava-structure/src/main/java/demo/DemoMMCIFReader.java index 8ed28e9c58..d5ae3fea58 100644 --- a/biojava-structure/src/main/java/demo/DemoMMCIFReader.java +++ b/biojava-structure/src/main/java/demo/DemoMMCIFReader.java @@ -26,7 +26,6 @@ import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.MMCIFFileReader; import org.biojava.nbio.structure.io.StructureProvider; import java.util.List; diff --git a/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java b/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java index 5a5c1a222f..bd84ae8f1e 100644 --- a/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java +++ b/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java @@ -23,9 +23,6 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.io.mmcif.MMcifParser; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; import java.io.BufferedReader; import java.io.File; @@ -38,42 +35,32 @@ * An example of how to convert mmCIF file to PDB file * * @author Jose Duarte - * */ -public class DemoMmcifToPdbConverter -{ - +public class DemoMmcifToPdbConverter { public static void main(String[] args) throws Exception { - File inFile = new File(args[0]); File outFile = new File(args[1]); convert(inFile, outFile); } - - public static void convert(File inFile, File outFile) throws IOException { - - MMcifParser parser = new SimpleMMcifParser(); - - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - parser.addMMcifConsumer(consumer); - parser.parse(new BufferedReader(new InputStreamReader(new FileInputStream(inFile)))); - - // now get the protein structure. - Structure cifStructure = consumer.getStructure(); - - // and write it out as PDB format - PrintWriter pr = new PrintWriter(outFile); - for (Chain c : cifStructure.getChains()) { - // we can override the chain name, the mmCIF chain names might have more than 1 character - c.setName(c.getName().substring(0, 1)); - pr.print(c.toPDB()); - pr.println("TER"); - } + MMcifParser parser = new SimpleMMcifParser(); + SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); + parser.addMMcifConsumer(consumer); + parser.parse(new BufferedReader(new InputStreamReader(new FileInputStream(inFile)))); + + // now get the protein structure. + Structure cifStructure = consumer.getStructure(); + + // and write it out as PDB format + PrintWriter pr = new PrintWriter(outFile); + for (Chain c : cifStructure.getChains()) { + // we can override the chain name, the mmCIF chain names might have more than 1 character + c.setName(c.getName().substring(0, 1)); + pr.print(c.toPDB()); + pr.println("TER"); + } pr.close(); - - } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomPositionMap.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomPositionMap.java index b6c806417e..d6d6f778ff 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomPositionMap.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomPositionMap.java @@ -32,9 +32,8 @@ import java.util.NavigableMap; import java.util.TreeMap; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.chem.ResidueType; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; +import org.biojava.nbio.structure.chem.PolymerType; +import org.biojava.nbio.structure.chem.ResidueType; import org.slf4j.Logger; import org.slf4j.LoggerFactory; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/Chain.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/Chain.java index 150d806995..c8413228ee 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/Chain.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/Chain.java @@ -25,7 +25,6 @@ import org.biojava.nbio.core.sequence.template.Sequence; import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; import java.io.Serializable; import java.util.List; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java index 9400333aba..7275fb07a9 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java @@ -24,10 +24,9 @@ package org.biojava.nbio.structure; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.PolymerType; import org.biojava.nbio.structure.io.FileConvert; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; import org.biojava.nbio.core.exceptions.CompoundNotFoundException; import org.biojava.nbio.core.sequence.ProteinSequence; import org.biojava.nbio.core.sequence.compound.AminoAcidCompound; @@ -686,7 +685,7 @@ public String toPDB() { @Override public String toMMCIF() { - return FileConvert.toMMCIF(this, true); + return FileConvert.toMMCIF(this); } @Override diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java new file mode 100644 index 0000000000..e14ef16776 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java @@ -0,0 +1,62 @@ +package org.biojava.nbio.structure; + +import org.biojava.nbio.structure.io.cif.CifBean; + +import java.util.ArrayList; +import java.util.List; + +public class DatabasePDBRevRecord implements CifBean { + private static final long serialVersionUID = 1L; + private String revNum; + private String type; + private String details; + + public DatabasePDBRevRecord() { + + } + + public DatabasePDBRevRecord(String revNum, String type, String details) { + this.revNum = revNum; + this.type = type; + this.details = details; + } + + public DatabasePDBRevRecord(org.rcsb.cif.schema.mm.DatabasePDBRevRecord cif, int row) { + this(cif.getDetails().get(row), + cif.getRevNum().getStringData(row), + cif.getType().get(row)); + } + + public String getRevNum() { + return revNum; + } + + public void setRevNum(String revNum) { + this.revNum = revNum; + } + + public String getType() { + return type; + } + + public void setType(String type) { + this.type = type; + } + + public String getDetails() { + return details; + } + + public void setDetails(String details) { + this.details = details; + } + + @Override + public String toString() { + return "DatabasePDBRevRecord{" + + "revNum='" + revNum + '\'' + + ", type='" + type + '\'' + + ", details='" + details + '\'' + + '}'; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePdbRevRecord.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePdbRevRecord.java deleted file mode 100644 index 91ec85549f..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePdbRevRecord.java +++ /dev/null @@ -1,43 +0,0 @@ -package org.biojava.nbio.structure; - -import java.io.Serializable; - -public class DatabasePdbRevRecord implements Serializable { - private static final long serialVersionUID = -791924804009516791L; - private String rev_num; - private String type; - private String details; - - public String getRev_num() { - return rev_num; - } - - public void setRev_num(String rev_num) { - this.rev_num = rev_num; - } - - public String getType() { - return type; - } - - public void setType(String type) { - this.type = type; - } - - public String getDetails() { - return details; - } - - public void setDetails(String details) { - this.details = details; - } - - @Override - public String toString() { - return "DatabasePdbrevRecord{" + - "rev_num='" + rev_num + '\'' + - ", type='" + type + '\'' + - ", details='" + details + '\'' + - '}'; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java index f2bc5a506a..36b8d3b1cd 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java @@ -23,7 +23,7 @@ */ package org.biojava.nbio.structure; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; +import org.biojava.nbio.structure.chem.ChemComp; import java.io.Serializable; import java.util.Iterator; @@ -53,29 +53,28 @@ * */ public interface Group extends Serializable { - /** Group property key for secondary structure annotation */ - public static final String SEC_STRUC = "secstruc"; + String SEC_STRUC = "secstruc"; /** * Get number of atoms. * @return number of atoms of this Group */ - public int size(); + int size(); /** * Return true or false, depending if this group has 3D coordinates or not. * * @return true if Group has 3D coordinates */ - public boolean has3D (); + boolean has3D(); /** * Flag if group has 3D data . * * @param flag true to set flag that this Group has 3D coordinates */ - public void setPDBFlag(boolean flag); + void setPDBFlag(boolean flag); /** * Get Type of group, one of {@link GroupType#AMINOACID}, {@link GroupType#HETATM} @@ -83,14 +82,14 @@ public interface Group extends Serializable { * * @return a String representing the type value */ - public GroupType getType(); + GroupType getType(); /** * Add an atom to this group. * * @param atom an Atom object */ - public void addAtom(Atom atom); + void addAtom(Atom atom); /** * Get list of atoms. @@ -98,21 +97,20 @@ public interface Group extends Serializable { * @return a List object representing the atoms * @see #setAtoms(List) */ - public List getAtoms() ; - + List getAtoms(); /** * Set the atoms of this group. * @see Atom * @param atoms a list of atoms */ - public void setAtoms(List atoms); + void setAtoms(List atoms); /** * Remove all atoms from this group. * */ - public void clearAtoms(); + void clearAtoms(); /** * Get an atom given its PDB name. @@ -125,15 +123,15 @@ public interface Group extends Serializable { * @param name a trimmed String representing the atom's PDB name, e.g. "CA" * @return an Atom object or null if no such atom exists within this group */ - public Atom getAtom(String name) ; - + Atom getAtom(String name); + /** * Get at atom by position. * * @param position an int * @return an Atom object or null if no Atom exists for given position */ - public Atom getAtom(int position) ; + Atom getAtom(int position); /** * Tell whether a particular atom exists within this group. @@ -143,7 +141,7 @@ public interface Group extends Serializable { * @param name a trimmed String representing the atom's PDB name, e.g. "CA" * @return true if Atom with name exists within this group */ - public boolean hasAtom(String name); + boolean hasAtom(String name); /** * Get the PDB 3-letter name for this group. (e.g. ALA) @@ -151,7 +149,7 @@ public interface Group extends Serializable { * @return a String representing the PDBName value * @see #setPDBName */ - public String getPDBName(); + String getPDBName(); /** * Set the PDB 3-letter name for this group. (e.g. ALA) @@ -159,8 +157,7 @@ public interface Group extends Serializable { * @param s a String specifying the PDBName value * @see #getPDBName */ - public void setPDBName(String s) ; - + void setPDBName(String s); /** * Calculate if this group has all atoms required for an amino acid backbone. @@ -183,33 +180,28 @@ public interface Group extends Serializable { * @return true if all Atoms required for an AminoAcid are available (N, CA, C, O) * @see #getType */ - public boolean hasAminoAtoms() ; - + boolean hasAminoAtoms(); /** * Check if this group is a polymeric group, from the definition in Chemical Component Dictionary * * @return true if a polymeric group */ - public boolean isPolymeric(); - + boolean isPolymeric(); /** * Check if this group is an aminoacid group, from the definition in Chemical Component Dictionary * * @return true if an amino acid */ - public boolean isAminoAcid(); - + boolean isAminoAcid(); /** * Check if this group is a nucleotide group, from the definition in Chemical Component Dictionary * * @return true if a nucleotide */ - public boolean isNucleotide(); - - + boolean isNucleotide(); /** * Properties of this amino acid. Currently available properties are: @@ -220,7 +212,7 @@ public interface Group extends Serializable { * @param properties a Map object specifying the properties value * @see #getProperties */ - public void setProperties(Map properties) ; + void setProperties(Map properties); /** * Return properties. @@ -228,7 +220,7 @@ public interface Group extends Serializable { * * @return a HashMap object representing the properties value */ - public Map getProperties() ; + Map getProperties(); /** * Set a single property . @@ -237,7 +229,7 @@ public interface Group extends Serializable { * @param value an Object * @see #getProperty */ - public void setProperty(String key, Object value) ; + void setProperty(String key, Object value); /** * Get a single property . @@ -246,21 +238,20 @@ public interface Group extends Serializable { * @return an Object * @see #setProperty */ - public Object getProperty(String key) ; + Object getProperty(String key); /** * Get an Atom Iterator. * * @return an Iterator object */ - public Iterator iterator() ; - + Iterator iterator(); /** * Returns and identical copy of this Group object . * @return and identical copy of this Group object */ - public Object clone(); + Object clone(); /** * Sets the back-reference to its parent Chain. @@ -268,7 +259,7 @@ public interface Group extends Serializable { * @see #getChain() * @since 3.0 */ - public void setChain(Chain chain); + void setChain(Chain chain); /** * Returns the parent Chain of the Group. @@ -277,7 +268,7 @@ public interface Group extends Serializable { * @see #setChain(Chain) * @since 3.0 */ - public Chain getChain() ; + Chain getChain(); /** * Returns a dynamically created ResidueNumber for the group - this @@ -286,15 +277,14 @@ public interface Group extends Serializable { * @return ResidueNumber for the group. * @since 3.0 */ - public ResidueNumber getResidueNumber(); - + ResidueNumber getResidueNumber(); /** * Sets the ResidueNumber for this Group * * @param residueNumber the PDB residueNumber */ - public void setResidueNumber(ResidueNumber residueNumber); + void setResidueNumber(ResidueNumber residueNumber); /** * Utility method to temporarily set a chainID for a group, if a parent chain object does not exist yet. @@ -304,7 +294,7 @@ public interface Group extends Serializable { * @param residueNumber * @param iCode */ - public void setResidueNumber(String chainId, Integer residueNumber, Character iCode); + void setResidueNumber(String chainId, Integer residueNumber, Character iCode); /** * Utility method for returning the chainId of the Group or null if no @@ -314,22 +304,21 @@ public interface Group extends Serializable { * @since 3.0 * @return the ID of the chain */ - public String getChainId(); + String getChainId(); /** * Set the Chemical Component that closer describes this group. * * @param cc the chemical component */ - public void setChemComp(ChemComp cc); + void setChemComp(ChemComp cc); /** * Get the chemical component that closer describes this group. If the information does not exist yet, fetches the information from PDB web site. * * @return the Chemical Component definition for this Group. */ - public ChemComp getChemComp(); - + ChemComp getChemComp(); /** * Check if this group has alternate location groups. @@ -337,8 +326,7 @@ public interface Group extends Serializable { * @return boolean flag if there are alternate locations. * @see #getAltLocs() */ - public boolean hasAltLoc(); - + boolean hasAltLoc(); /** * Get the list of other alternate location groups. @@ -363,14 +351,14 @@ public interface Group extends Serializable { * * @return List of other groups that are on alternate locations */ - public List getAltLocs(); + List getAltLocs(); /** * Add a group that is an alternate location for this group. * * @param g the altloc group to add */ - public void addAltLoc(Group g); + void addAltLoc(Group g); /** * Determines if this group is water. @@ -378,7 +366,7 @@ public interface Group extends Serializable { * @see GroupType#WATERNAMES * @return true if it's water, false otherwise. */ - public boolean isWater(); + boolean isWater(); /** * Gets the alternate location group to this group that has the alt-loc character code passed. @@ -386,21 +374,20 @@ public interface Group extends Serializable { * @param altLoc the alternate location code of the group desired * @return the alternate location group if found, or null otherwise */ - public Group getAltLocGroup(Character altLoc); - + Group getAltLocGroup(Character altLoc); /** * Attempts to reduce the memory imprint of this group by trimming * all internal Collection objects to the required size. * */ - public void trimToSize(); + void trimToSize(); /** * Function to get the Group as an MDL molblock * @return the string of the MDL molblock */ - public String toSDF(); + String toSDF(); /** * Tells whether the group is annotated as HETATM in the file. @@ -408,7 +395,7 @@ public interface Group extends Serializable { * polymeric group is in a ligand chain or not. * @return */ - public boolean isHetAtomInFile(); + boolean isHetAtomInFile(); /** * Sets the field isHetAtomInFile which is intented only for @@ -416,5 +403,5 @@ public interface Group extends Serializable { * or in a polymeric chain. * @param isHetAtomInFile */ - public void setHetAtomInFile(boolean isHetAtomInFile); + void setHetAtomInFile(boolean isHetAtomInFile); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/GroupType.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/GroupType.java index 234813ef42..7fa92f7363 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/GroupType.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/GroupType.java @@ -20,8 +20,8 @@ */ package org.biojava.nbio.structure; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.chem.ResidueType; +import org.biojava.nbio.structure.chem.PolymerType; +import org.biojava.nbio.structure.chem.ResidueType; import java.util.*; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java index 037dcb2b0b..ddc4f2f636 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java @@ -23,15 +23,19 @@ */ package org.biojava.nbio.structure; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.PolymerType; +import org.biojava.nbio.structure.chem.ResidueType; import org.biojava.nbio.structure.io.GroupToSDF; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.chem.ResidueType; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; +import org.rcsb.cif.schema.mm.ChemComp; import org.slf4j.Logger; import org.slf4j.LoggerFactory; -import java.util.*; +import java.util.ArrayList; +import java.util.HashMap; +import java.util.Iterator; +import java.util.List; +import java.util.Map; /** * @@ -332,9 +336,9 @@ public boolean isAminoAcid() { return getType().equals(GroupType.AMINOACID); - ResidueType rt = cc.getResidueType(); + ResidueType rt = ResidueType.getResidueTypeFromString(cc.getType().get(0)); - if ( rt.equals(ResidueType.nonPolymer)) + if (ResidueType.nonPolymer.equals(rt)) return false; PolymerType pt = rt.getPolymerType(); @@ -351,9 +355,9 @@ public boolean isNucleotide() { if ( cc == null) return getType().equals(GroupType.NUCLEOTIDE); - ResidueType rt = cc.getResidueType(); + ResidueType rt = ResidueType.getResidueTypeFromString(cc.getType().get(0)); - if ( rt.equals(ResidueType.nonPolymer)) + if (ResidueType.nonPolymer.equals(rt)) return false; PolymerType pt = rt.getPolymerType(); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java index 1071c52c23..d65c61ae95 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java @@ -76,7 +76,7 @@ public class PDBHeader implements PDBRecord { private Map bioAssemblies ; - List revisionRecords; + List revisionRecords; public PDBHeader(){ @@ -662,11 +662,11 @@ public int getNrBioAssemblies() { return this.bioAssemblies.size(); } - public List getRevisionRecords() { + public List getRevisionRecords() { return revisionRecords; } - public void setRevisionRecords(List revisionRecords) { + public void setRevisionRecords(List revisionRecords) { this.revisionRecords = revisionRecords; } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java index 193ed78e3d..e0592dfae3 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java @@ -25,8 +25,10 @@ import java.util.List; import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.MMCIFFileReader; +import org.biojava.nbio.structure.io.BcifFileReader; +import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.PDBFileReader; +import org.rcsb.cif.binary.BinaryCifReader; /** * A class that provides static access methods for easy lookup of protein structure related components @@ -282,7 +284,8 @@ public static void setPdbPath(String pathToPDBFiles){ public static enum StructureFiletype { PDB( (new PDBFileReader()).getExtensions()), - CIF( new MMCIFFileReader().getExtensions()), + CIF(new CifFileReader().getExtensions()), + BCIF(new BcifFileReader().getExtensions()), UNKNOWN(Collections.emptyList()); private List extensions; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java index 653683ee0f..91cccd6a38 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java @@ -20,10 +20,14 @@ */ package org.biojava.nbio.structure; -import java.io.BufferedReader; +import org.biojava.nbio.structure.StructureIO.StructureFiletype; +import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.io.PDBFileReader; +import org.biojava.nbio.structure.io.cif.CifFileConverter; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; import java.io.UnsupportedEncodingException; import java.net.MalformedURLException; import java.net.URL; @@ -36,16 +40,6 @@ import java.util.regex.Matcher; import java.util.regex.Pattern; -import org.biojava.nbio.core.util.InputStreamProvider; -import org.biojava.nbio.structure.StructureIO.StructureFiletype; -import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.PDBFileReader; -import org.biojava.nbio.structure.io.mmcif.MMcifParser; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - /** * Represents a structure loaded from a URL (including a file URL) * @@ -159,27 +153,7 @@ public Structure loadStructure(AtomCache cache) throws StructureException, switch(format) { case CIF: - // need to do mmcif parsing! - - InputStreamProvider prov = new InputStreamProvider(); - InputStream inStream = prov.getInputStream(url); - - MMcifParser parser = new SimpleMMcifParser(); - - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - consumer.setFileParsingParameters(cache.getFileParsingParams()); - - - parser.addMMcifConsumer(consumer); - - try { - parser.parse(new BufferedReader(new InputStreamReader(inStream))); - } catch (IOException e){ - e.printStackTrace(); - } - - // now get the protein structure. - return consumer.getStructure(); + return CifFileConverter.fromURL(url); default: case PDB: // pdb file based parsing diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java index 4b96d5f433..cc0220da07 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java @@ -33,10 +33,10 @@ import org.biojava.nbio.structure.cath.CathDatabase; import org.biojava.nbio.structure.cath.CathDomain; import org.biojava.nbio.structure.cath.CathFactory; +import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; -import org.biojava.nbio.structure.io.MMCIFFileReader; import org.biojava.nbio.structure.io.MMTFFileReader; import org.biojava.nbio.structure.io.PDBFileReader; import org.biojava.nbio.core.util.FileDownloadUtils; @@ -879,12 +879,11 @@ protected Structure loadStructureFromCifByPdbId(String pdbId) throws IOException Structure s; flagLoading(pdbId); try { - MMCIFFileReader reader = new MMCIFFileReader(path); + CifFileReader reader = new CifFileReader(path); reader.setFetchBehavior(fetchBehavior); reader.setObsoleteBehavior(obsoleteBehavior); reader.setFileParsingParameters(params); s = reader.getStructureById(pdbId.toLowerCase()); - } finally { flagLoadingFinished(pdbId); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java new file mode 100644 index 0000000000..ef3b7414b8 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java @@ -0,0 +1,185 @@ +package org.biojava.nbio.structure.chem; + +import org.biojava.nbio.core.util.InputStreamProvider; +import org.biojava.nbio.structure.align.util.UserConfiguration; +import org.biojava.nbio.structure.io.LocalPDBDirectory; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +import java.io.BufferedReader; +import java.io.File; +import java.io.FileOutputStream; +import java.io.IOException; +import java.io.InputStream; +import java.io.InputStreamReader; +import java.net.URL; +import java.util.concurrent.atomic.AtomicBoolean; + +/** + * A ChemComp provider that downloads and caches the components.cif file from the wwPDB site. It then loads + * all chemical components at startup and keeps them in memory. This provider is not used as a default + * since it is slower at startup and requires more memory than the {@link DownloadChemCompProvider} that is used by default. + * + * @author Andreas Prlic + * + */ +public class AllChemCompProvider implements ChemCompProvider, Runnable{ + private static final Logger logger = LoggerFactory.getLogger(AllChemCompProvider.class); + public static final String COMPONENTS_FILE_LOCATION = "pub/pdb/data/monomers/components.cif.gz"; + + private static String path; + private static String serverName; + + // there will be only one copy of the dictionary across all instances + // to reduce memory impact + static ChemicalComponentDictionary dict; + + // flags to make sure there is only one thread running that is loading the dictionary + static AtomicBoolean loading = new AtomicBoolean(false); + static AtomicBoolean isInitialized = new AtomicBoolean(false); + + public AllChemCompProvider(){ + if (loading.get()) { + logger.warn("other thread is already loading all chemcomps, no need to init twice"); + return; + } + if (isInitialized.get()) { + return; + } + + loading.set(true); + + Thread t = new Thread(this); + t.start(); + } + + /** + * make sure all paths are initialized correctly + */ + private static void initPath(){ + if (path == null) { + UserConfiguration config = new UserConfiguration(); + path = config.getCacheFilePath(); + } + } + + private static void initServerName() { + if (serverName == null) { + serverName = LocalPDBDirectory.getServerName(); + } + } + + private void ensureFileExists() { + String fileName = getLocalFileName(); + File f = new File(fileName); + + if (!f.exists()) { + try { + downloadFile(); + } catch (IOException e) { + logger.error("Caught IOException", e); + } + } + } + + /** + * Downloads the components.cif.gz file from the wwPDB site. + */ + public static void downloadFile() throws IOException { + initPath(); + initServerName(); + + String localName = getLocalFileName(); + String u = serverName + "/" + COMPONENTS_FILE_LOCATION; + + downloadFileFromRemote(new URL(u), new File(localName)); + } + + private static void downloadFileFromRemote(URL remoteURL, File localFile) throws IOException { + logger.info("Downloading " + remoteURL + " to: " + localFile); + FileOutputStream out = new FileOutputStream(localFile); + + InputStream in = remoteURL.openStream(); + byte[] buf = new byte[4 * 1024]; // 4K buffer + int bytesRead; + while ((bytesRead = in.read(buf)) != -1) { + out.write(buf, 0, bytesRead); + } + in.close(); + out.close(); + } + + private static String getLocalFileName(){ + File dir = new File(path, DownloadChemCompProvider.CHEM_COMP_CACHE_DIRECTORY); + + if (!dir.exists()) { + logger.info("Creating directory {}", dir.toString()); + dir.mkdir(); + } + + return new File(dir, "components.cif.gz").toString(); + } + + /** + * Load all {@link ChemComp} definitions into memory. + */ + private void loadAllChemComps() throws IOException { + String fileName = getLocalFileName(); + logger.debug("Loading " + fileName); + InputStreamProvider isp = new InputStreamProvider(); + + InputStream inStream = isp.getInputStream(fileName); + MMcifParser parser = new SimpleMMcifParser(); + ChemCompConsumer consumer = new ChemCompConsumer(); + + // The Consumer builds up the BioJava - structure object. + // you could also hook in your own and build up you own data model. + parser.addMMcifConsumer(consumer); + parser.parse(new BufferedReader(new InputStreamReader(inStream))); + dict = consumer.getDictionary(); + inStream.close(); + } + + /** + * {@inheritDoc} + */ + @Override + public ChemComp getChemComp(String recordName) { + while (loading.get()) { + // another thread is still initializing the definitions + try { + // wait half a second + Thread.sleep(500); + } catch (InterruptedException e) { + logger.error("Interrupted thread while waiting: " + e.getMessage()); + //e.printStackTrace(); + } + } + + return dict.getChemComp(recordName); + } + + + /** + * Do the actual loading of the dictionary in a thread. + */ + @Override + public void run() { + long timeS = System.currentTimeMillis(); + initPath(); + ensureFileExists(); + + try { + loadAllChemComps(); + + long timeE = System.currentTimeMillis(); + logger.debug("Time to init chem comp dictionary: " + (timeE - timeS) / 1000 + " sec."); + } catch (IOException e) { + logger.error("Could not load chemical components definition file {}. Error: {}", getLocalFileName(), e.getMessage()); + } finally { + loading.set(false); + isInitialized.set(true); + } + } +} + diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java new file mode 100644 index 0000000000..96631fe736 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java @@ -0,0 +1,405 @@ +package org.biojava.nbio.structure.chem; + +import org.biojava.nbio.structure.io.cif.CifBean; + +import java.util.ArrayList; +import java.util.List; +import java.util.Objects; + +/** + * Properties of a chemical component. + */ +public class ChemComp implements CifBean, Comparable { + private static final long serialVersionUID = -4736341142030215915L; + + private String id; + private String name; + private String type; + private String pdbxType; + private String formula; + private String monNstdParentCompId; + private String pdbxSynonyms; + private String pdbxFormalCharge; + private String pdbxInitialDate; + private String pdbxModifiedDate; + private String pdbxAmbiguousFlag; + private String pdbxReleaseStatus; + private String pdbxReplacedBy; + private String pdbxReplaces; + private String formulaWeight; + private String oneLetterCode; + private String threeLetterCode; + private String pdbxModelCoordinatesDetails; + private String pdbxModelCoordinatesMissingFlag; + private String pdbxIdealCoordinatesDetails; + private String pdbxIdealCoordinatesMissingFlag; + private String pdbxModelCoordinatesDbCode; + private String pdbxSubcomponentList; + private String pdbxProcessingSite; + private String monNstdFlag; + + private List descriptors = new ArrayList<>(); + private List bonds = new ArrayList<>(); + private List atoms = new ArrayList<>(); + + // and some derived data for easier processing... + private ResidueType residueType; + private PolymerType polymerType; + private boolean standard; + + @Override + public String toString(){ + StringBuffer buf = new StringBuffer("ChemComp "); + buf.append(id) + .append(" ") + .append(oneLetterCode) + .append(" ") + .append(threeLetterCode) + .append(" poly:") + .append(getPolymerType()) + .append(" resi:") + .append(getResidueType()) + .append(isStandard() ? " standard" : " modified") + .append(" ") + .append(name) + .append(" ") + .append(pdbxType) + .append(" ") + .append(formula) + .append(" parent:") + .append(monNstdParentCompId); + return buf.toString(); + } + + public boolean hasParent(){ + String pid = monNstdParentCompId; + return (pid != null) && (!pid.equals("?")); + } + + public boolean isStandard(){ + return standard; + } + + private void setStandardFlag(){ + standard = ChemCompTools.isStandardChemComp(this); + } + + public String getId() { + return id; + } + + public void setId(String id) { + this.id = id; + } + + public String getName() { + return name; + } + + public void setName(String name) { + this.name = name; + } + + public String getType() { + return type; + } + + public void setType(String type) { + this.type = type; + this.residueType = ResidueType.getResidueTypeFromString(type); + if (residueType != null) { + polymerType = residueType.polymerType; + } + } + + public ResidueType getResidueType() { + return residueType; + } + + public void setResidueType(ResidueType residueType) { + this.residueType = residueType; + } + + public PolymerType getPolymerType() { + return polymerType; + } + + public void setPolymerType(PolymerType polymerType) { + this.polymerType = polymerType; + } + + public String getPdbxType() { + return pdbxType; + } + + public void setPdbxType(String pdbxType) { + this.pdbxType = pdbxType; + } + + public String getFormula() { + return formula; + } + + public void setFormula(String formula) { + this.formula = formula; + } + + public String getMonNstdParentCompId() { + return monNstdParentCompId; + } + + public void setMonNstdParentCompId(String monNstdParentCompId) { + this.monNstdParentCompId = monNstdParentCompId; + setStandardFlag(); + } + + public String getPdbxSynonyms() { + return pdbxSynonyms; + } + + public void setPdbxSynonyms(String pdbxSynonyms) { + this.pdbxSynonyms = pdbxSynonyms; + } + + public String getPdbxFormalCharge() { + return pdbxFormalCharge; + } + + public void setPdbxFormalCharge(String pdbxFormalCharge) { + this.pdbxFormalCharge = pdbxFormalCharge; + } + + public String getPdbxInitialDate() { + return pdbxInitialDate; + } + + public void setPdbxInitialDate(String pdbxInitialDate) { + this.pdbxInitialDate = pdbxInitialDate; + } + + public String getPdbxModifiedDate() { + return pdbxModifiedDate; + } + + public void setPdbxModifiedDate(String pdbxModifiedDate) { + this.pdbxModifiedDate = pdbxModifiedDate; + } + + public String getPdbxAmbiguousFlag() { + return pdbxAmbiguousFlag; + } + + public void setPdbxAmbiguousFlag(String pdbxAmbiguousFlag) { + this.pdbxAmbiguousFlag = pdbxAmbiguousFlag; + } + + public String getPdbxReleaseStatus() { + return pdbxReleaseStatus; + } + + public void setPdbxReleaseStatus(String pdbxReleaseStatus) { + this.pdbxReleaseStatus = pdbxReleaseStatus; + } + + public String getPdbxReplacedBy() { + return pdbxReplacedBy; + } + + public void setPdbxReplacedBy(String pdbxReplacedBy) { + this.pdbxReplacedBy = pdbxReplacedBy; + } + + public String getPdbxReplaces() { + return pdbxReplaces; + } + + public void setPdbxReplaces(String pdbxReplaces) { + this.pdbxReplaces = pdbxReplaces; + } + + public String getFormulaWeight() { + return formulaWeight; + } + + public void setFormulaWeight(String formulaWeight) { + this.formulaWeight = formulaWeight; + } + + public String getOneLetterCode() { + return oneLetterCode; + } + + public void setOneLetterCode(String oneLetterCode) { + this.oneLetterCode = oneLetterCode; + setStandardFlag(); + } + + public String getThreeLetterCode() { + return threeLetterCode; + } + + public void setThreeLetterCode(String threeLetterCode) { + this.threeLetterCode = threeLetterCode; + } + + public String getPdbxModelCoordinatesDetails() { + return pdbxModelCoordinatesDetails; + } + + public void setPdbxModelCoordinatesDetails(String pdbxModelCoordinatesDetails) { + this.pdbxModelCoordinatesDetails = pdbxModelCoordinatesDetails; + } + + public String getPdbxModelCoordinatesMissingFlag() { + return pdbxModelCoordinatesMissingFlag; + } + + public void setPdbxModelCoordinatesMissingFlag(String pdbxModelCoordinatesMissingFlag) { + this.pdbxModelCoordinatesMissingFlag = pdbxModelCoordinatesMissingFlag; + } + + public String getPdbxIdealCoordinatesDetails() { + return pdbxIdealCoordinatesDetails; + } + + public void setPdbxIdealCoordinatesDetails(String pdbxIdealCoordinatesDetails) { + this.pdbxIdealCoordinatesDetails = pdbxIdealCoordinatesDetails; + } + + public String getPdbxIdealCoordinatesMissingFlag() { + return pdbxIdealCoordinatesMissingFlag; + } + + public void setPdbxIdealCoordinatesMissingFlag(String pdbxIdealCoordinatesMissingFlag) { + this.pdbxIdealCoordinatesMissingFlag = pdbxIdealCoordinatesMissingFlag; + } + + public String getPdbxModelCoordinatesDbCode() { + return pdbxModelCoordinatesDbCode; + } + + public void setPdbxModelCoordinatesDbCode(String pdbxModelCoordinatesDbCode) { + this.pdbxModelCoordinatesDbCode = pdbxModelCoordinatesDbCode; + } + + public String getPdbxSubcomponentList() { + return pdbxSubcomponentList; + } + + public void setPdbxSubcomponentList(String pdbxSubcomponentList) { + this.pdbxSubcomponentList = pdbxSubcomponentList; + } + + public String getPdbxProcessingSite() { + return pdbxProcessingSite; + } + + public void setPdbxProcessingSite(String pdbxProcessingSite) { + this.pdbxProcessingSite = pdbxProcessingSite; + } + + public String getMonNstdFlag() { + return monNstdFlag; + } + + public void setMonNstdFlag(String monNstdFlag) { + this.monNstdFlag = monNstdFlag; + } + + public List getDescriptors() { + return descriptors; + } + + public void setDescriptors(List descriptors) { + this.descriptors = descriptors; + } + + public List getBonds() { + return bonds; + } + + public void setBonds(List bonds) { + this.bonds = bonds; + } + + public List getAtoms() { + return atoms; + } + + public void setAtoms(List atoms) { + this.atoms = atoms; + } + + @Override + public int compareTo(ChemComp arg0) { + if (this.equals(arg0)) + return 0; + return this.getId().compareTo(arg0.getId()); + } + + @Override + public boolean equals(Object o) { + if (this == o) return true; + if (o == null || getClass() != o.getClass()) return false; + ChemComp chemComp = (ChemComp) o; + return standard == chemComp.standard && + Objects.equals(id, chemComp.id) && + Objects.equals(name, chemComp.name) && + Objects.equals(type, chemComp.type) && + Objects.equals(pdbxType, chemComp.pdbxType) && + Objects.equals(formula, chemComp.formula) && + Objects.equals(monNstdParentCompId, chemComp.monNstdParentCompId) && + Objects.equals(pdbxSynonyms, chemComp.pdbxSynonyms) && + Objects.equals(pdbxFormalCharge, chemComp.pdbxFormalCharge) && + Objects.equals(pdbxInitialDate, chemComp.pdbxInitialDate) && + Objects.equals(pdbxModifiedDate, chemComp.pdbxModifiedDate) && + Objects.equals(pdbxAmbiguousFlag, chemComp.pdbxAmbiguousFlag) && + Objects.equals(pdbxReleaseStatus, chemComp.pdbxReleaseStatus) && + Objects.equals(pdbxReplacedBy, chemComp.pdbxReplacedBy) && + Objects.equals(pdbxReplaces, chemComp.pdbxReplaces) && + Objects.equals(formulaWeight, chemComp.formulaWeight) && + Objects.equals(oneLetterCode, chemComp.oneLetterCode) && + Objects.equals(threeLetterCode, chemComp.threeLetterCode) && + Objects.equals(pdbxModelCoordinatesDetails, chemComp.pdbxModelCoordinatesDetails) && + Objects.equals(pdbxModelCoordinatesMissingFlag, chemComp.pdbxModelCoordinatesMissingFlag) && + Objects.equals(pdbxIdealCoordinatesDetails, chemComp.pdbxIdealCoordinatesDetails) && + Objects.equals(pdbxIdealCoordinatesMissingFlag, chemComp.pdbxIdealCoordinatesMissingFlag) && + Objects.equals(pdbxModelCoordinatesDbCode, chemComp.pdbxModelCoordinatesDbCode) && + Objects.equals(pdbxSubcomponentList, chemComp.pdbxSubcomponentList) && + Objects.equals(pdbxProcessingSite, chemComp.pdbxProcessingSite) && + Objects.equals(monNstdFlag, chemComp.monNstdFlag) && + Objects.equals(descriptors, chemComp.descriptors) && + Objects.equals(bonds, chemComp.bonds) && + Objects.equals(atoms, chemComp.atoms) && + residueType == chemComp.residueType && + polymerType == chemComp.polymerType; + } + + @Override + public int hashCode() { + return Objects.hash(id, name, type, pdbxType, formula, monNstdParentCompId, pdbxSynonyms, pdbxFormalCharge, pdbxInitialDate, pdbxModifiedDate, pdbxAmbiguousFlag, pdbxReleaseStatus, pdbxReplacedBy, pdbxReplaces, formulaWeight, oneLetterCode, threeLetterCode, pdbxModelCoordinatesDetails, pdbxModelCoordinatesMissingFlag, pdbxIdealCoordinatesDetails, pdbxIdealCoordinatesMissingFlag, pdbxModelCoordinatesDbCode, pdbxSubcomponentList, pdbxProcessingSite, monNstdFlag, descriptors, bonds, atoms, residueType, polymerType, standard); + } + + /** + * Creates a new instance of the dummy empty ChemComp. + * @return a ChemComp + */ + public static ChemComp getEmptyChemComp() { + ChemComp comp = new ChemComp(); + + comp.setOneLetterCode("?"); + comp.setThreeLetterCode("???"); // Main signal for isEmpty() + comp.setPolymerType(PolymerType.unknown); + comp.setResidueType(ResidueType.atomn); + return comp; + } + + /** + * Indicates whether this compound was created with + * @return a boolean + */ + public boolean isEmpty() { + // Is this the best flag for it being empty? + return id == null || getThreeLetterCode() == null || getThreeLetterCode().equals("???"); + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java new file mode 100644 index 0000000000..cad290820e --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java @@ -0,0 +1,205 @@ +package org.biojava.nbio.structure.chem; + +import org.biojava.nbio.structure.io.cif.CifBean; + +public class ChemCompAtom implements CifBean { + private static final long serialVersionUID = 4070599340294758941L; + private String compId; + private String atomId; + private String altAtomId; + private String typeSymbol; + private String charge; + private String pdbxAlign; + private String pdbxAromaticFlag; + private String pdbxLeavingAtomFlag; + private String pdbxStereoConfig; + private String modelCartnX; + private String modelCartnY; + private String modelCartnZ; + private String pdbxModelCartnXIdeal; + private String pdbxModelCartnYIdeal; + private String pdbxModelCartnZIdeal; + private String pdbxComponentCompId; + private String pdbxResidueNumbering; + private String pdbxComponentAtomId; + private String pdbxPolymerType; + private String pdbxRefId; + private String pdbxComponentId; + private String pdbxOrdinal; + + public String getCompId() { + return compId; + } + + public void setCompId(String compId) { + this.compId = compId; + } + + public String getAtomId() { + return atomId; + } + + public void setAtomId(String atomId) { + this.atomId = atomId; + } + + public String getAltAtomId() { + return altAtomId; + } + + public void setAltAtomId(String altAtomId) { + this.altAtomId = altAtomId; + } + + public String getTypeSymbol() { + return typeSymbol; + } + + public void setTypeSymbol(String typeSymbol) { + this.typeSymbol = typeSymbol; + } + + public String getCharge() { + return charge; + } + + public void setCharge(String charge) { + this.charge = charge; + } + + public String getPdbxAlign() { + return pdbxAlign; + } + + public void setPdbxAlign(String pdbxAlign) { + this.pdbxAlign = pdbxAlign; + } + + public String getPdbxAromaticFlag() { + return pdbxAromaticFlag; + } + + public void setPdbxAromaticFlag(String pdbxAromaticFlag) { + this.pdbxAromaticFlag = pdbxAromaticFlag; + } + + public String getPdbxLeavingAtomFlag() { + return pdbxLeavingAtomFlag; + } + + public void setPdbxLeavingAtomFlag(String pdbxLeavingAtomFlag) { + this.pdbxLeavingAtomFlag = pdbxLeavingAtomFlag; + } + + public String getPdbxStereoConfig() { + return pdbxStereoConfig; + } + + public void setPdbxStereoConfig(String pdbxStereoConfig) { + this.pdbxStereoConfig = pdbxStereoConfig; + } + + public String getModelCartnX() { + return modelCartnX; + } + + public void setModelCartnX(String modelCartnX) { + this.modelCartnX = modelCartnX; + } + + public String getModelCartnY() { + return modelCartnY; + } + + public void setModelCartnY(String modelCartnY) { + this.modelCartnY = modelCartnY; + } + + public String getModelCartnZ() { + return modelCartnZ; + } + + public void setModelCartnZ(String modelCartnZ) { + this.modelCartnZ = modelCartnZ; + } + + public String getPdbxModelCartnXIdeal() { + return pdbxModelCartnXIdeal; + } + + public void setPdbxModelCartnXIdeal(String pdbxModelCartnXIdeal) { + this.pdbxModelCartnXIdeal = pdbxModelCartnXIdeal; + } + + public String getPdbxModelCartnYIdeal() { + return pdbxModelCartnYIdeal; + } + + public void setPdbxModelCartnYIdeal(String pdbxModelCartnYIdeal) { + this.pdbxModelCartnYIdeal = pdbxModelCartnYIdeal; + } + + public String getPdbxModelCartnZIdeal() { + return pdbxModelCartnZIdeal; + } + + public void setPdbxModelCartnZIdeal(String pdbxModelCartnZIdeal) { + this.pdbxModelCartnZIdeal = pdbxModelCartnZIdeal; + } + + public String getPdbxComponentCompId() { + return pdbxComponentCompId; + } + + public void setPdbxComponentCompId(String pdbxComponentCompId) { + this.pdbxComponentCompId = pdbxComponentCompId; + } + + public String getPdbxResidueNumbering() { + return pdbxResidueNumbering; + } + + public void setPdbxResidueNumbering(String pdbxResidueNumbering) { + this.pdbxResidueNumbering = pdbxResidueNumbering; + } + + public String getPdbxComponentAtomId() { + return pdbxComponentAtomId; + } + + public void setPdbxComponentAtomId(String pdbxComponentAtomId) { + this.pdbxComponentAtomId = pdbxComponentAtomId; + } + + public String getPdbxPolymerType() { + return pdbxPolymerType; + } + + public void setPdbxPolymerType(String pdbxPolymerType) { + this.pdbxPolymerType = pdbxPolymerType; + } + + public String getPdbxRefId() { + return pdbxRefId; + } + + public void setPdbxRefId(String pdbxRefId) { + this.pdbxRefId = pdbxRefId; + } + + public String getPdbxComponentId() { + return pdbxComponentId; + } + + public void setPdbxComponentId(String pdbxComponentId) { + this.pdbxComponentId = pdbxComponentId; + } + + public String getPdbxOrdinal() { + return pdbxOrdinal; + } + + public void setPdbxOrdinal(String pdbxOrdinal) { + this.pdbxOrdinal = pdbxOrdinal; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompBond.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompBond.java new file mode 100644 index 0000000000..b5a4d4e7f4 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompBond.java @@ -0,0 +1,114 @@ +package org.biojava.nbio.structure.chem; + +import org.biojava.nbio.structure.io.cif.CifBean; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +public class ChemCompBond implements CifBean { + private static final long serialVersionUID = 5905371029161975421L; + private static final Logger logger = LoggerFactory.getLogger(ChemCompBond.class); + + private String compId; + private String atomId1; + private String atomId2; + private String valueOrder; + private String pdbxAromaticFlag; + private String pdbxStereoConfig; + private String pdbxOrdinal; + + public static Logger getLogger() { + return logger; + } + + public String getCompId() { + return compId; + } + + public void setCompId(String compId) { + this.compId = compId; + } + + public String getAtomId1() { + return atomId1; + } + + public void setAtomId1(String atomId1) { + this.atomId1 = atomId1; + } + + public String getAtomId2() { + return atomId2; + } + + public void setAtomId2(String atomId2) { + this.atomId2 = atomId2; + } + + public String getValueOrder() { + return valueOrder; + } + + public void setValueOrder(String valueOrder) { + this.valueOrder = valueOrder; + } + + public String getPdbxAromaticFlag() { + return pdbxAromaticFlag; + } + + public void setPdbxAromaticFlag(String pdbxAromaticFlag) { + this.pdbxAromaticFlag = pdbxAromaticFlag; + } + + public String getPdbxStereoConfig() { + return pdbxStereoConfig; + } + + public void setPdbxStereoConfig(String pdbxStereoConfig) { + this.pdbxStereoConfig = pdbxStereoConfig; + } + + public String getPdbxOrdinal() { + return pdbxOrdinal; + } + + public void setPdbxOrdinal(String pdbxOrdinal) { + this.pdbxOrdinal = pdbxOrdinal; + } + + /** + * Converts this ChemCompBond's value_order attribute into an int using the + * conversion: + * + * 

      +     * 	SING -> 1
+     * 	DOUB -> 2
+     * 	TRIP -> 3
+     * 	QUAD -> 4
+     *
      + * + * Any other values will return -1. + *

      + * (Source: + * http://mmcif.rcsb.org/dictionaries/mmcif_mdb.dic/Items/_chem_comp_bond. + * value_order.html) + * + * @return the numerical value of this ChemCompBond's bond order, or -1 if + * the value is non-numeric or unknown. + */ + public int getNumericalBondOrder() { + switch (valueOrder) { + case "SING": + return 1; + case "DOUB": + return 2; + case "TRIP": + return 3; + case "QUAD": + return 4; + default: + logger.error("Unknown or non-numeric value for value_order: " + valueOrder); + return -1; + } + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompContainer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompContainer.java new file mode 100644 index 0000000000..322f927895 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompContainer.java @@ -0,0 +1,13 @@ +package org.biojava.nbio.structure.chem; + +import org.rcsb.cif.schema.mm.ChemComp; + +public class ChemCompContainer { + private final ChemComp delegate; + + public ChemCompContainer(ChemComp chemComp) { + this.delegate = chemComp; + } + + +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompDescriptor.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompDescriptor.java new file mode 100644 index 0000000000..7628caef53 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompDescriptor.java @@ -0,0 +1,80 @@ +package org.biojava.nbio.structure.chem; + +import org.biojava.nbio.structure.io.cif.CifBean; + +import java.util.Objects; + +public class ChemCompDescriptor implements CifBean { + private static final long serialVersionUID = 1078685833800736278L; + private String compId; + private String type; + private String program; + private String programVersion; + private String descriptor; + + public String getCompId() { + return compId; + } + + public void setCompId(String compId) { + this.compId = compId; + } + + public String getType() { + return type; + } + + public void setType(String type) { + this.type = type; + } + + public String getProgram() { + return program; + } + + public void setProgram(String program) { + this.program = program; + } + + public String getProgramVersion() { + return programVersion; + } + + public void setProgramVersion(String programVersion) { + this.programVersion = programVersion; + } + + public String getDescriptor() { + return descriptor; + } + + public void setDescriptor(String descriptor) { + this.descriptor = descriptor; + } + + @Override + public boolean equals(Object o) { + if (this == o) return true; + if (o == null || getClass() != o.getClass()) return false; + ChemCompDescriptor that = (ChemCompDescriptor) o; + return Objects.equals(compId, that.compId) && + Objects.equals(type, that.type) && + Objects.equals(program, that.program) && + Objects.equals(programVersion, that.programVersion) && + Objects.equals(descriptor, that.descriptor); + } + + @Override + public int hashCode() { + return Objects.hash(compId, type, program, programVersion, descriptor); + } + + @Override + public String toString() { + return "ChemCompDescriptor [comp_id=" + compId + + ", type=" + type + + ", program=" + program + + ", program_version=" + programVersion + + ", descriptor=" + descriptor + "]"; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompGroupFactory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompGroupFactory.java new file mode 100644 index 0000000000..cad709223f --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompGroupFactory.java @@ -0,0 +1,131 @@ +package org.biojava.nbio.structure.chem; + +import org.biojava.nbio.core.util.SoftHashMap; +import org.biojava.nbio.structure.AminoAcid; +import org.biojava.nbio.structure.AminoAcidImpl; +import org.biojava.nbio.structure.Group; +import org.biojava.nbio.structure.HetatomImpl; +import org.biojava.nbio.structure.NucleotideImpl; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +import java.util.Map; + +public class ChemCompGroupFactory { + private static final Logger logger = LoggerFactory.getLogger(ChemCompGroupFactory.class); + private static ChemCompProvider chemCompProvider = new DownloadChemCompProvider(); + private static Map cache = new SoftHashMap<>(0); + + public static ChemComp getChemComp(String recordName) { + recordName = recordName.toUpperCase().trim(); + + // we are using the cache, to avoid hitting the file system too often. + ChemComp chemComp = cache.get(recordName); + if (chemComp != null) { + logger.debug("Chem comp " + chemComp.getThreeLetterCode() + " read from cache"); + return chemComp; + } + + // not cached, get the chem comp from the provider + logger.debug("Chem comp " + recordName + " read from provider " + chemCompProvider.getClass().getCanonicalName()); + chemComp = chemCompProvider.getChemComp(recordName); + + // Note that this also caches null or empty responses + cache.put(recordName, chemComp); + return chemComp; + } + + /** + * The new ChemCompProvider will be set in the static variable, + * so this provider will be used from now on until it is changed + * again. Note that this change can have unexpected behavior of + * code executed afterwards. + *

      + * Changing the provider also resets the cache, so any groups + * previously accessed will be reread or re-downloaded. + * + * @param provider + */ + public static void setChemCompProvider(ChemCompProvider provider) { + logger.debug("Setting new chem comp provider to " + provider.getClass().getCanonicalName()); + chemCompProvider = provider; + // clear cache + cache.clear(); + } + + public static ChemCompProvider getChemCompProvider(){ + return chemCompProvider; + } + + /** + * Force the in-memory cache to be reset. + * + * Note that the ChemCompProvider may have additional memory or disk caches that need to be cleared too. + */ + public static void clearCache() { + cache.clear(); + } + + public static Group getGroupFromChemCompDictionary(String recordName) { + // make sure we work with upper case records + recordName = recordName.toUpperCase().trim(); + ChemComp chemComp = getChemComp(recordName); + Group group; + + if (chemComp == null) { + return null; + } + + PolymerType polymerType = PolymerType.polymerTypeFromString(chemComp.getType()); + if (PolymerType.PROTEIN_ONLY.contains(polymerType)) { + AminoAcid aminoAcid = new AminoAcidImpl(); + + String oneLetterCode = chemComp.getOneLetterCode(); + if (oneLetterCode == null || oneLetterCode.equals("X") || oneLetterCode.equals("?") || oneLetterCode.length() == 0) { + String parent = chemComp.getMonNstdParentCompId(); + if (parent != null && parent.length() == 3) { + String parentId = chemComp.getMonNstdParentCompId(); + ChemComp parentChemComp = getChemComp(parentId); + oneLetterCode = parentChemComp.getOneLetterCode(); + } + } + + if (oneLetterCode == null || oneLetterCode.length() == 0 || oneLetterCode.equals("?")) { + // e.g. problem with PRR, which probably should have a parent of ALA, but as of 20110127 does not. + logger.warn("Problem with chemical component: " + recordName + " Did not find one letter code! Setting it to 'X'"); + aminoAcid.setAminoType('X'); + } else { + aminoAcid.setAminoType(oneLetterCode.charAt(0)); + } + + group = aminoAcid; + } else if (PolymerType.POLYNUCLEOTIDE_ONLY.contains(polymerType)) { + group = new NucleotideImpl(); + } else { + group = new HetatomImpl(); + } + + group.setChemComp(chemComp); + return group; + } + + public static String getOneLetterCode(ChemComp chemComp) { + String oneLetterCode = chemComp.getOneLetterCode(); + if (oneLetterCode == null || oneLetterCode.equals("X") || oneLetterCode.equals("?")) { + String parentId = chemComp.getMonNstdParentCompId(); + if (parentId == null) { + return oneLetterCode; + } + // cases like OIM have multiple parents (comma separated), we shouldn't try grab a chemcomp for those strings + if (parentId.length() > 3) { + return oneLetterCode; + } + ChemComp parentChemComp = ChemCompGroupFactory.getChemComp(parentId); + if (parentChemComp == null) { + return oneLetterCode; + } + oneLetterCode = parentChemComp.getOneLetterCode(); + } + return oneLetterCode; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java new file mode 100644 index 0000000000..936f5ef8cf --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java @@ -0,0 +1,15 @@ +package org.biojava.nbio.structure.chem; + +/** + * Interface that is implemented by all classes that can provide {@link ChemComp} definitions. + * @author Andreas Prlic + * @since 3.0 + */ +public interface ChemCompProvider { + /** + * Returns a new instance of a chemical component definition. + * @param recordName the ID of the {@link ChemComp} + * @return a new {@link ChemComp} definition. + */ + ChemComp getChemComp(String recordName); +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java new file mode 100644 index 0000000000..b24fd5d51a --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java @@ -0,0 +1,209 @@ +package org.biojava.nbio.structure.chem; + +import java.util.ArrayList; +import java.util.Collections; +import java.util.HashMap; +import java.util.List; +import java.util.Map; + +public class ChemCompTools { + private static final Character UNKNOWN_ONE_LETTER_CODE = 'X'; + private static final Character UNKNOWN_NUCLEOTIDE = 'N'; + /** + * Lookup table to convert standard amino acid's monomer ids to one-letter-codes + */ + private static final Map AMINO_ACID_LOOKUP_3TO1; + /** + * Lookup table to convert standard amino acid's one-letter-codes to monomer ids + */ + private static final Map AMINO_ACID_LOOKUP_1TO3; + /** + * Lookup table to convert standard nucleic acid's monomer ids to one-letter-codes + */ + private static final Map DNA_LOOKUP_2TO1; + /** + * Lookup table to convert standard nucleic acid's one-letter-codes to monomer ids + */ + private static final Map DNA_LOOKUP_1TO2; + /* + Static block that initializes lookup maps and initializes their ResidueInfo instances + */ + static { + Map foo = new HashMap<>(); + foo.put("ALA", 'A'); + foo.put("ASP", 'D'); + foo.put("ASN", 'N'); + foo.put("ASX", 'B'); + foo.put("ARG", 'R'); + foo.put("CYS", 'C'); + foo.put("GLU", 'E'); + foo.put("GLN", 'Q'); + foo.put("GLY", 'G'); + foo.put("GLX", 'Z'); + foo.put("HIS", 'H'); + foo.put("ILE", 'I'); + foo.put("LYS", 'K'); + foo.put("LEU", 'L'); + foo.put("MET", 'M'); + foo.put("PHE", 'F'); + foo.put("PRO", 'P'); + foo.put("SER", 'S'); + foo.put("THR", 'T'); + foo.put("TRP", 'W'); + foo.put("TYR", 'Y'); + foo.put("VAL", 'V'); + AMINO_ACID_LOOKUP_3TO1 = Collections.unmodifiableMap((Collections.synchronizedMap(foo))); + + Map bar = new HashMap<>(); + bar.put('A', "ALA"); + bar.put('D', "ASP"); + bar.put('N', "ASN"); + bar.put('B', "ASX"); + bar.put('R', "ARG"); + bar.put('C', "CYS"); + bar.put('E', "GLU"); + bar.put('Q', "GLN"); + bar.put('G', "GLY"); + bar.put('Z', "GLX"); + bar.put('H', "HIS"); + bar.put('I', "ILE"); + bar.put('K', "LYS"); + bar.put('L', "LEU"); + bar.put('M', "MET"); + bar.put('F', "PHE"); + bar.put('P', "PRO"); + bar.put('S', "SER"); + bar.put('T', "THR"); + bar.put('W', "TRP"); + bar.put('Y', "TYR"); + bar.put('V', "VAL"); + AMINO_ACID_LOOKUP_1TO3 = Collections.unmodifiableMap(Collections.synchronizedMap(bar)); + + foo = new HashMap<>(); + foo.put("DA",'A'); + foo.put("DC",'C'); + foo.put("DG",'G'); + foo.put("DI",'I'); + foo.put("DU",'U'); + foo.put("DT",'T'); + DNA_LOOKUP_2TO1 = Collections.unmodifiableMap((Collections.synchronizedMap(foo))); + + bar = new HashMap<>(); + bar.put('A',"DA"); + bar.put('C',"DC"); + bar.put('G',"DG"); + bar.put('I',"DI"); + bar.put('U',"DU"); + bar.put('T',"DT"); + DNA_LOOKUP_1TO2 = Collections.unmodifiableMap(Collections.synchronizedMap(bar)); + + + // initialise standard chemical components + List stdMonIds = new ArrayList<>(); + stdMonIds.addAll(AMINO_ACID_LOOKUP_3TO1.keySet()); + stdMonIds.addAll(DNA_LOOKUP_2TO1.keySet()); + } + + public static Character getAminoOneLetter(String chemCompId){ + return AMINO_ACID_LOOKUP_3TO1.get(chemCompId); + } + + public static Character getDNAOneLetter(String chemCompId){ + return DNA_LOOKUP_2TO1.get(chemCompId); + } + + public static String getAminoThreeLetter(Character c){ + return AMINO_ACID_LOOKUP_1TO3.get(c); + } + + public static String getDNATwoLetter(Character c){ + return DNA_LOOKUP_1TO2.get(c); + } + + public static boolean isStandardChemComp(ChemComp cc){ + String pid = cc.getMonNstdParentCompId(); + String one = cc.getOneLetterCode(); + + PolymerType polymerType = cc.getPolymerType(); + + // standard residues have no parent + if ((pid == null) || (pid.equals("?"))) { + // and they have a one letter code + if ((one != null) && (!one.equals("?"))) { + // peptides and dpeptides must not have X + if (polymerType == PolymerType.peptide || polymerType == PolymerType.dpeptide) { + return performPeptideCheck(cc, one); + } + if (polymerType == PolymerType.rna) { + return performRNACheck(cc); + } + if (polymerType == PolymerType.dna) { + return performDNACheck(cc); + } + + //System.err.println("Non standard chem comp: " + cc); + return false; + } + } + return false; + } + + private static boolean performRNACheck(ChemComp cc) { + return cc.getId().length() == 1; + } + + private static boolean performDNACheck(ChemComp cc) { + if (cc.getId().equals(UNKNOWN_NUCLEOTIDE.toString())) { + return false; + } + + Character c = getDNAOneLetter(cc.getId()); + // we did not find it in the list of standard nucleotides + return c != null; + } + + private static boolean performPeptideCheck(ChemComp cc, String one) { + if (one.equals(UNKNOWN_ONE_LETTER_CODE.toString())) { + return false; + } + Character c = getAminoOneLetter(cc.getId()); + // we did not find it in the list of standard aminos + return c != null; + } + + // TODO: component 175 has 3 chars as a one letter code... + // Figure out what to do with it... + // so does: 4F3,5ZA and others + public static Character getOneLetterCode(ChemComp cc, ChemicalComponentDictionary dictionary) { + if (cc.getResidueType() == ResidueType.nonPolymer) { + return null; + } + + if (cc.isStandard()) { + return cc.getOneLetterCode().charAt(0); + } + + ChemComp parent = dictionary.getParent(cc); + if (parent == null) { + //System.err.println("parent is null " + cc); + return cc.getOneLetterCode().charAt(0); + } + PolymerType poly = cc.getPolymerType(); + if (poly == PolymerType.peptide || poly == PolymerType.dpeptide) { + Character c = getAminoOneLetter(parent.getId()); + if (c == null) { + c = UNKNOWN_ONE_LETTER_CODE; + } + return c; + } + if (poly == PolymerType.dna) { + Character c = getDNAOneLetter(parent.getId()); + if (c == null) { + c = UNKNOWN_NUCLEOTIDE; + } + return c; + + } + return cc.getMonNstdParentCompId().charAt(0); + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java new file mode 100644 index 0000000000..2f48e612d7 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java @@ -0,0 +1,104 @@ +package org.biojava.nbio.structure.chem; + +import java.util.HashMap; +import java.util.Map; + +public class ChemicalComponentDictionary { + private final Map dictionary; + private final Map replaces; + private final Map isReplacedBy; + + public ChemicalComponentDictionary() { + this.dictionary = new HashMap<>(); + this.replaces = new HashMap<>(); + this.isReplacedBy = new HashMap<>(); + } + + public boolean isReplaced(ChemComp c) { + return isReplaced(c.getId()); + } + + public boolean isReplaced(String id) { + return isReplacedBy.containsKey(id); + } + + public boolean isReplacer(ChemComp c){ + return isReplacer(c.getId()); + } + + public boolean isReplacer(String id) { + return replaces.containsKey(id); + } + + /** if ChemComp is replaced by another one, get the newer version + * otherwise return the same ChemComp again. + * @param c + * @return get the component that replaced ChemComp. + */ + public ChemComp getReplacer(ChemComp c){ + return getReplacer(c.getId()); + } + + public ChemComp getReplacer(String id){ + if (isReplaced(id)) { + return dictionary.get(isReplacedBy.get(id)); + } + return dictionary.get(id); + } + + /** if ChemComp is replacing another one, get the old version + * otherwise return the same ChemComp again. + * @param c the ChemComp for which older versions should be looked up. + */ + public ChemComp getReplaced(ChemComp c){ + return getReplaced(c.getId()); + } + + public ChemComp getReplaced(String id){ + if (isReplacer(id)) { + return dictionary.get(replaces.get(id)); + } + return dictionary.get(id); + } + + /** + * Get the parent of a component. If component has no parent, return null + * @param c + * @return get the parent component or null if ChemComp has no parent. + */ + public ChemComp getParent(ChemComp c) { + if (c.hasParent()) { + return dictionary.get(c.getMonNstdParentCompId()); + } + return null; + } + + /** + * Add a new component to the dictionary + * @param comp + */ + public void addChemComp(ChemComp comp) { + dictionary.put(comp.getId(), comp); + String rep = comp.getPdbxReplaces(); + if (rep != null && !rep.equals("?")) { + replaces.put(comp.getId(), rep); + } + + String isRep = comp.getPdbxReplacedBy(); + if (isRep != null && !isRep.equals("?")) { + isReplacedBy.put(comp.getId(), isRep); + } + } + + /** + * Returns the number of ChemComps in this dictionary + * @return nr. of ChemComps + */ + public int size(){ + return dictionary.size(); + } + + public ChemComp getChemComp(String id){ + return dictionary.get(id); + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java new file mode 100644 index 0000000000..5b52bcab52 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java @@ -0,0 +1,420 @@ +package org.biojava.nbio.structure.chem; + +import org.biojava.nbio.core.util.InputStreamProvider; +import org.biojava.nbio.structure.align.util.URLConnectionTools; +import org.biojava.nbio.structure.align.util.UserConfiguration; +import org.biojava.nbio.structure.io.LocalPDBDirectory; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +import java.io.BufferedReader; +import java.io.File; +import java.io.FileOutputStream; +import java.io.FilenameFilter; +import java.io.IOException; +import java.io.InputStream; +import java.io.InputStreamReader; +import java.io.PrintWriter; +import java.io.StringWriter; +import java.net.URL; +import java.net.URLConnection; +import java.nio.file.Files; +import java.nio.file.Paths; +import java.nio.file.StandardCopyOption; +import java.util.ArrayList; +import java.util.List; +import java.util.concurrent.atomic.AtomicBoolean; +import java.util.zip.GZIPOutputStream; + +/** + * This provider of chemical components can download and cache chemical component definition files from the RCSB PDB web + * site. It is the default way to access these definitions. If this provider is called he first time, it will download + * and install all chemical component definitions in a local directory. Once the definition files have been installed, + * it has quick startup time and low memory requirements. + * + * An alternative provider, that keeps all definitions in memory is the {@link AllChemCompProvider}. Another provider, + * that does not require any network access, but only can support a limited set of chemical component definitions, is + * the {@link ReducedChemCompProvider}. + * + * @author Andreas Prlic + */ +public class DownloadChemCompProvider implements ChemCompProvider { + private static final Logger logger = LoggerFactory.getLogger(DownloadChemCompProvider.class); + public static final String CHEM_COMP_CACHE_DIRECTORY = "chemcomp"; + public static final String DEFAULT_SERVER_URL = "http://files.rcsb.org/ligands/download/"; + public static String serverBaseUrl = DEFAULT_SERVER_URL; + + /** + * Use default RCSB server layout (true) or internal RCSB server layout (false) + */ + public static boolean useDefaultUrlLayout = true; + + private static File path; + private static final String NEWLINE = System.getProperty("line.separator"); + + // flags to make sure there is only one thread running that is loading the dictionary + static AtomicBoolean loading = new AtomicBoolean(false); + + static final List protectedIDs = new ArrayList<>(); + static { + protectedIDs.add("CON"); + protectedIDs.add("PRN"); + protectedIDs.add("AUX"); + protectedIDs.add("NUL"); + } + + private static ChemCompProvider fallback = null; // Fallback provider if the download fails + /** + * by default we will download only some of the files. User has to request that all files should be downloaded... + */ + boolean downloadAll = false; + + public DownloadChemCompProvider() { + this(null); + } + + public DownloadChemCompProvider(String cacheFilePath) { + logger.debug("Initialising DownloadChemCompProvider"); + + // note that path is static, so this is just to make sure that all non-static methods will have path initialised + if (cacheFilePath != null) { + path = new File(cacheFilePath); + } + } + + /** + * Get this provider's cache path + * @return + */ + public static File getPath(){ + if (path == null) { + UserConfiguration config = new UserConfiguration(); + path = new File(config.getCacheFilePath()); + } + return path; + } + + /** + * Checks if the chemical components already have been installed into the PDB directory. + * If not, will download the chemical components definitions file and split it up into small + * subfiles. + */ + public void checkDoFirstInstall(){ + if (!downloadAll) { + return; + } + + // this makes sure there is a file separator between every component, + // if path has a trailing file separator or not, it will work for both cases + File dir = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); + File f = new File(dir, "components.cif.gz"); + + if (!f.exists()) { + downloadAllDefinitions(); + } else { + // file exists.. did it get extracted? + FilenameFilter filter = (dir1, file) -> file.endsWith(".cif.gz"); + String[] files = dir.list(filter); + if (files.length < 500) { + // not all did get unpacked + try { + split(); + } catch (IOException e) { + logger.error("Could not split file {} into individual chemical component files. Error: {}", + f.toString(), e.getMessage()); + } + } + } + } + + private void split() throws IOException { + logger.info("Installing individual chem comp files ..."); + + File dir = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); + File f = new File(dir, "components.cif.gz"); + + int counter = 0; + InputStreamProvider prov = new InputStreamProvider(); + + try (BufferedReader buf = new BufferedReader(new InputStreamReader(prov.getInputStream(f)))) { + String line; + line = buf.readLine(); + StringWriter writer = new StringWriter(); + + String currentID = null; + while (line != null) { + if (line.startsWith("data_")) { + // a new record found! + if (currentID != null) { + writeID(writer.toString(), currentID); + counter++; + } + + currentID = line.substring(5); + writer = new StringWriter(); + } + + writer.append(line); + writer.append(NEWLINE); + + line = buf.readLine (); + } + + // write the last record... + writeID(writer.toString(), currentID); + counter++; + } + + logger.info("Created " + counter + " chemical component files."); + } + + /** + * Output chemical contents to a file + * @param contents File contents + * @param currentID Chemical ID, used to determine the filename + * @throws IOException + */ + private void writeID(String contents, String currentID) throws IOException { + String localName = getLocalFileName(currentID); + + try (PrintWriter pw = new PrintWriter(new GZIPOutputStream(new FileOutputStream(localName)))) { + pw.print(contents); + pw.flush(); + } + } + + /** + * Loads the definitions for this {@link ChemComp} from a local file and instantiates a new object. + * + * @param recordName the ID of the {@link ChemComp} + * @return a new {@link ChemComp} definition. + */ + @Override + public ChemComp getChemComp(String recordName) { + // make sure we work with upper case records + recordName = recordName.toUpperCase().trim(); + + boolean haveFile = true; + if (recordName.equals("?")) { + return null; + } + + if (fileIsAbsent(recordName)) { + // check if we should install all components + checkDoFirstInstall(); + } + if (fileIsAbsent(recordName)) { + // we previously have installed already the definitions, + // just do an incrememntal update + haveFile = downloadChemCompRecord(recordName); + } + + // Added check that download was successful and chemical component is available. + if (haveFile) { + String filename = getLocalFileName(recordName); + InputStream inStream = null; + try { + InputStreamProvider isp = new InputStreamProvider(); + inStream = isp.getInputStream(filename); + + MMcifParser parser = new SimpleMMcifParser(); + ChemCompConsumer consumer = new ChemCompConsumer(); + + // The Consumer builds up the BioJava - structure object. + // you could also hook in your own and build up you own data model. + parser.addMMcifConsumer(consumer); + parser.parse(new BufferedReader(new InputStreamReader(inStream))); + + ChemicalComponentDictionary dict = consumer.getDictionary(); + ChemComp chemComp = dict.getChemComp(recordName); + + // May be null if the file was corrupt. Fall back on ReducedChemCompProvider in that case + if (chemComp != null) { + return chemComp; + } + } catch (IOException e) { + logger.warn("Could not download chemical component file {} for {}. Error: {}. Now trying to use the " + + "local chemical component definitions.", + filename, recordName, e.getMessage()); + } finally { + // Now close it + if (inStream != null) { + try { + inStream.close(); + } catch (IOException e) { + // This would be weird... + logger.error("Could not close chemical component file {}. A resource leak could occur!!", filename); + } + } + } + } + + // see https://github.com/biojava/biojava/issues/315 + // probably a network error happened. Try to use the ReducedChemCOmpProvider + if (fallback == null) { + fallback = new ReducedChemCompProvider(); + } + + logger.warn("Falling back to ReducedChemCompProvider for {}. This could indicate a network error.", recordName); + return fallback.getChemComp(recordName); + + } + + /** + * Returns the file name that contains the definition for this {@link ChemComp} + * + * @param recordName the ID of the {@link ChemComp} + * @return full path to the file + */ + public static String getLocalFileName(String recordName) { + if (protectedIDs.contains(recordName)) { + recordName = "_" + recordName; + } + + File f = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); + if (!f.exists()) { + logger.info("Creating directory " + f); + boolean success = f.mkdir(); + // we've checked in initPath that path is writable, so there's no need to check if it succeeds + // in the unlikely case that in the meantime it isn't writable at least we log an error + if (!success) { + logger.error("Directory {} could not be created", f); + } + } + + File theFile = new File(f,recordName + ".cif.gz"); + return theFile.toString(); + } + + private static boolean fileIsAbsent(String recordName){ + String fileName = getLocalFileName(recordName); + File f = new File(fileName); + + // delete files that are too short to have contents + if (f.length() < LocalPDBDirectory.MIN_PDB_FILE_SIZE) { + // Delete defensively. + // Note that if delete is unsuccessful, we re-download the file anyways + f.delete(); + return true; + } + + return !f.exists(); + } + + /** + * @param recordName three-letter name + * @return true if successful download + */ + private static boolean downloadChemCompRecord(String recordName) { + String localName = getLocalFileName(recordName); + File newFile; + try { + newFile = File.createTempFile("chemcomp" + recordName, "cif"); + logger.debug("Will write chem comp file to temp file {}", newFile.toString()); + } catch (IOException e) { + logger.error("Could not write to temp directory {} to create the chemical component download temp file", + System.getProperty("java.io.tmpdir")); + return false; + } + String u; + if (useDefaultUrlLayout) { + u = serverBaseUrl + recordName + ".cif"; + } else { + u = serverBaseUrl + recordName.charAt(0) + "/" + recordName +"/" + recordName + ".cif"; + } + + logger.debug("downloading " + u); + URL url = null; + try { + url = new URL(u); + URLConnection uconn = URLConnectionTools.openURLConnection(url); + + try (PrintWriter pw = new PrintWriter(new GZIPOutputStream(new FileOutputStream(newFile))); + BufferedReader fileBuffer = new BufferedReader(new InputStreamReader(uconn.getInputStream()))) { + + String line; + while ((line = fileBuffer.readLine()) != null) { + pw.println(line); + } + pw.flush(); + } + // Now we move this across to where it actually wants to be + Files.move(newFile.toPath(), Paths.get(localName), StandardCopyOption.REPLACE_EXISTING); + + return true; + } catch (IOException e) { + logger.error("Could not download " + url.toString() + " OR store locally to " + localName + " Error =" + e.getMessage()); + newFile.delete(); + } + return false; + } + + private void downloadAllDefinitions() { + if (loading.get()) { + logger.info("Waiting for other thread to install chemical components..."); + } + + while (loading.get()) { + // another thread is already downloading the components definitions + // wait for the other thread to finish... + try { + // wait half a second + Thread.sleep(500); + } catch (InterruptedException e) { + //e.printStackTrace(); + logger.error("Thread interrupted "+e.getMessage()); + } + + logger.info("Another thread installed the chemical components."); + return; + } + + loading.set(true); + long timeS = System.currentTimeMillis(); + + logger.info("Performing first installation of chemical components."); + logger.info("Downloading components.cif.gz ..."); + + try { + AllChemCompProvider.downloadFile(); + } catch (IOException e) { + logger.error("Could not download the all chemical components file. Error: {}. " + + "Chemical components information won't be available", e.getMessage()); + // no point in trying to split if the file could not be downloaded + loading.set(false); + return; + } + + try { + split(); + } catch (IOException e) { + logger.error("Could not split all chem comp file into individual chemical component files. Error: {}", + e.getMessage()); + // no point in reporting time + loading.set(false); + return; + } + + long timeE = System.currentTimeMillis(); + logger.info("time to install chem comp dictionary: " + (timeE - timeS) / 1000 + " sec."); + loading.set(false); + } + + /** + * By default this provider will download only some of the {@link ChemComp} files. + * The user has to request that all files should be downloaded by setting this parameter to true. + * @return flag if the all components should be downloaded and installed at startup. (default: false) + */ + public boolean isDownloadAll() { + return downloadAll; + } + + /** + * By default this provider will download only some of the {@link ChemComp} files. + * The user has to request that all files should be downloaded by setting this parameter to true. + * @param downloadAll if the all components should be downloaded and installed at startup. (default: false) + */ + public void setDownloadAll(boolean downloadAll) { + this.downloadAll = downloadAll; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/PolymerType.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/PolymerType.java new file mode 100644 index 0000000000..78bae77f86 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/PolymerType.java @@ -0,0 +1,161 @@ +package org.biojava.nbio.structure.chem; + +import java.io.Serializable; +import java.util.Arrays; +import java.util.Collections; +import java.util.HashMap; +import java.util.HashSet; +import java.util.Map; +import java.util.Set; + +/** + * Enumerates the classification of polymers. + * This information is derived from the mmcif dictionary + * @author mulvaney + * @author Andreas Prlic + * @see link into mmCIF dictionary + * @since 1.7 + */ +public enum PolymerType implements Serializable { + /** + * polypeptide(L) + */ + peptide("polypeptide(L)"), + /** + * polypeptide(D) + */ + dpeptide("polypeptide(D)"), + /** + * polydeoxyribonucleotide + */ + dna("polydeoxyribonucleotide"), + /** + * polyribonucleotide + */ + rna("polyribonucleotide"), + /** + * polydeoxyribonucleotide/polyribonucleotide hybrid + */ + dnarna("polydeoxyribonucleotide/polyribonucleotide hybrid"), + /** + * polysaccharide(D) + */ + polysaccharide("polysaccharide(D)"), + /** + * polysaccharide(L) + */ + lpolysaccharide("polysaccharide(L)"), + /** + * other + */ + otherPolymer("other"), + /** + * cyclic peptides + */ + cyclicPeptide("cyclic-pseudo-peptide"), + /** + * Peptide nucleic acids + */ + peptideNucleicAcid("peptide nucleic acid"), + /** + * if all else fails... + */ + unknown(null); + + static Map lookupTable = new HashMap<>(); + + static { + for (PolymerType polymerType : PolymerType.values()) { + if (polymerType == unknown) { + continue; + } + + lookupTable.put(polymerType.entity_poly_type,polymerType); + lookupTable.put(polymerType.entity_poly_type.toLowerCase(), polymerType); + } + } + + public final String entity_poly_type; + + PolymerType(String entity_poly_type) { + this.entity_poly_type = entity_poly_type; + } + + public static PolymerType polymerTypeFromString(String polymerTypeString) { + if (polymerTypeString.equalsIgnoreCase(peptide.entity_poly_type)) { + return peptide; + } + + PolymerType lookedUpPolymerType = lookupTable.get(polymerTypeString); + if (lookedUpPolymerType != null) { + return lookedUpPolymerType; + } + + lookedUpPolymerType = lookupTable.get(polymerTypeString.toLowerCase()); + if (lookedUpPolymerType != null) { + return lookedUpPolymerType; + } + + for (PolymerType polymerType : PolymerType.values()) { + if (polymerTypeString.equals(polymerType.entity_poly_type)) { + return polymerType; + } + } + + return unknown; + } + + /** + * Convenience Set of polymer types classified as protein. This only contains {@link #peptide} + */ + public static final Set PROTEIN_ONLY; + + /** + * Convenience Set of polymer types classified as DNA. This only contains {@link #dna} + */ + public static final Set DNA_ONLY; + + /** + * Convenience Set of polymer types classified as RNA. This only contains {@link #rna} + */ + public static final Set RNA_ONLY; + + /** + * Convenience Set of polymer types classified as DNA. This contains: + *

        + *
      • {@link #dna}
        • + *
      • {@link #rna}
        • + *
      • {@link #dnarna}
        • + *
      + */ + public static final Set POLYNUCLEOTIDE_ONLY; + + /** + * Convenience Set of all polymer types. + */ + public static final Set ALL_POLYMER_TYPES; + + static { + Set tmp; + + tmp = new HashSet<>(); + tmp.add(peptide); + PROTEIN_ONLY = Collections.unmodifiableSet(tmp); + + tmp = new HashSet<>(); + tmp.add(dna); + DNA_ONLY = Collections.unmodifiableSet(tmp); + + tmp = new HashSet<>(); + tmp.add(rna); + RNA_ONLY = Collections.unmodifiableSet(tmp); + + tmp = new HashSet<>(); + tmp.add(dna); + tmp.add(rna); + tmp.add(dnarna); + POLYNUCLEOTIDE_ONLY = Collections.unmodifiableSet(tmp); + + ALL_POLYMER_TYPES = Collections.unmodifiableSet(new HashSet<>(Arrays.asList(values()))); + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java new file mode 100644 index 0000000000..9841fdc161 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java @@ -0,0 +1,56 @@ +package org.biojava.nbio.structure.chem; + +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +import java.io.BufferedReader; +import java.io.IOException; +import java.io.InputStream; +import java.io.InputStreamReader; +import java.util.zip.GZIPInputStream; + +/** + * Unlike the {@link DownloadChemCompProvider}, this {@link ChemCompProvider} does not download any chem comp + * definitions. It has access to a limited set of files that are part of the biojava distribution. + * @author Andreas Prlic + * @since 3.0 + */ +public class ReducedChemCompProvider implements ChemCompProvider { + private static final Logger logger = LoggerFactory.getLogger(ReducedChemCompProvider.class); + + public ReducedChemCompProvider(){ + logger.debug("Initialising ReducedChemCompProvider"); + } + + @Override + public ChemComp getChemComp(String recordName) { + String name = recordName.toUpperCase().trim(); + try (InputStream inStream = this.getClass().getResourceAsStream("/chemcomp/" + name + ".cif.gz")) { + logger.debug("Reading chemcomp/{}.cif.gz", name); + + if (inStream == null) { + // could not find the chem comp definition for this in the jar file + logger.debug("Getting empty chem comp for {}", name); + ChemComp cc = ChemComp.getEmptyChemComp(); + cc.setId(name); + return cc; + } + + MMcifParser parser = new SimpleMMcifParser(); + ChemCompConsumer consumer = new ChemCompConsumer(); + // The Consumer builds up the BioJava - structure object. + // you could also hook in your own and build up you own data model. + parser.addMMcifConsumer(consumer); + parser.parse(new BufferedReader(new InputStreamReader(new GZIPInputStream(inStream)))); + + ChemicalComponentDictionary dict = consumer.getDictionary(); + return dict.getChemComp(name); + } catch (IOException e){ + logger.error("IOException caught while reading chem comp {}.", name, e); + } + logger.warn("Problem when loading chem comp {}, will use an empty chem comp for it", name); + ChemComp cc = ChemComp.getEmptyChemComp(); + cc.setId(name); + return cc; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ResidueType.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ResidueType.java new file mode 100644 index 0000000000..ddcaac453c --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ResidueType.java @@ -0,0 +1,125 @@ +package org.biojava.nbio.structure.chem; + +import java.io.Serializable; +import java.util.HashMap; +import java.util.Map; + +/** + * Enumerates the possible classifications of residues. These are generally more specific than PolymerTypes + * This information is derived from the mmcif dictionary. + * @author mulvaney + * @author Andreas Prlic + * @see link into mmCIF dictionary + * @since 1.7 + */ +public enum ResidueType implements Serializable { + atomn(null, "null"), // present in db for _chem_comp.id_ = 'CFL' but not enumerated in dictionary + // Peptides + dPeptideLinking(PolymerType.dpeptide, "D-peptide linking"), + lPeptideLinking(PolymerType.peptide, "L-peptide linking"), + glycine(PolymerType.peptide,"PEPTIDE LINKING"), + peptideLike(PolymerType.otherPolymer, "peptide-like"), + dPeptideAminoTerminus(PolymerType.dpeptide, "D-peptide NH3 amino terminus"), + lPeptideAminoTerminus(PolymerType.peptide, "L-peptide NH3 amino terminus"), + dPeptideCarboxyTerminus(PolymerType.dpeptide, "D-peptide COOH carboxy terminus"), + lPeptideCarboxyTerminus(PolymerType.peptide, "L-peptide COOH carboxy terminus"), + // Nucleotides + dnaLinking(PolymerType.dna, "DNA linking"), + rnaLinking(PolymerType.rna, "RNA linking"), + dna3PrimeTerminus(PolymerType.dna, "DNA OH 3 prime terminus"), + rna3PrimeTerminus(PolymerType.rna, "RNA OH 3 prime terminus"), + dna5PrimeTerminus(PolymerType.dna, "DNA OH 5 prime terminus"), + rna5PrimeTerminus(PolymerType.rna, "RNA OH 5 prime terminus"), + // Sugars + dSaccharide(PolymerType.polysaccharide, "D-saccharide"), + dSaccharide14and14linking(PolymerType.polysaccharide, "D-saccharide 1,4 and 1,4 linking"), + dSaccharide14and16linking(PolymerType.polysaccharide, "D-saccharide 1,4 and 1,6 linking"), + lSaccharide(PolymerType.lpolysaccharide, "L-saccharide"), + lSaccharide14and14linking(PolymerType.lpolysaccharide, "L-saccharide 1,4 and 1,4 linking"), + lSaccharide14and16linking(PolymerType.lpolysaccharide, "L-saccharide 1,4 and 1,6 linking"), + saccharide(PolymerType.polysaccharide, "saccharide"), + // Iso-peptides + dBetaPeptideCGammaLinking(PolymerType.dpeptide,"D-beta-peptide, C-gamma linking"), + dGammaPeptideCDeltaLinking(PolymerType.dpeptide,"D-gamma-peptide, C-delta linking"), + lBetaPeptideCGammaLinking(PolymerType.peptide,"L-beta-peptide, C-gamma linking"), + lGammaPeptideCDeltaLinking(PolymerType.peptide,"L-gamma-peptide, C-delta linking"), + // L nucleotides. As of 2015-04, these are only found in D-DNA hybrids, so they don't have their own PolymerType + lDNALinking(PolymerType.dna,"L-DNA linking"), + lRNALinking(PolymerType.dna,"L-RNA linking"), + // Other + nonPolymer(null, "non-polymer"), + otherChemComp(null, "other"); + + static Map lookupTable = new HashMap<>(); + + static { + for (ResidueType residueType : ResidueType.values() ) { + lookupTable.put(residueType.chem_comp_type, residueType); + lookupTable.put(residueType.chem_comp_type.toLowerCase(), residueType); + } + } + + ResidueType(PolymerType polymerType, String chem_comp_type) { + this.polymerType = polymerType; + this.chem_comp_type = chem_comp_type; + } + + /** + * The associated {@link PolymerType} + */ + public final PolymerType polymerType; + + /** + * Gets the associated PolymerType, which are less specific + * @return + */ + public PolymerType getPolymerType() { + return polymerType; + } + + /** + * String value of the type + */ + public final String chem_comp_type; + + /** Get ResidueType by chem_comp_type + * + * @param chem_comp_type e.g. L-peptide linking + * @return + */ + public static ResidueType getResidueTypeFromString(String chem_comp_type) { + // Almost all calls to this method are for L-peptide linking. Use this knowledge for a shortcut. + if (chem_comp_type.equalsIgnoreCase(lPeptideLinking.chem_comp_type)) { + return lPeptideLinking; + } + + ResidueType lookedUpResidueType = lookupTable.get(chem_comp_type); + if (lookedUpResidueType != null) { + return lookedUpResidueType; + } + + /* + * Unfortunately it can be guaranteed that chem_comp_type case sensitivity is preserved. + * E.g. mmtf has it all upper-case. As such we need to do a second check + */ + lookedUpResidueType = lookupTable.get(chem_comp_type.toLowerCase()); + if (lookedUpResidueType != null) { + return lookedUpResidueType; + } + + // preserving previous behaviour. Not sure if this is really necessary? + for (ResidueType residueType : ResidueType.values()) { + if(residueType.chem_comp_type.equalsIgnoreCase(chem_comp_type)) { + return residueType; + } + + if (residueType.chem_comp_type.toLowerCase().startsWith(chem_comp_type.toLowerCase())) { + return residueType; + } + if (chem_comp_type.toLowerCase().startsWith(residueType.chem_comp_type.toLowerCase())) { + return residueType; + } + } + return null; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java index 40953a1ee2..b8e10ffbb8 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java @@ -36,13 +36,10 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.asa.AsaCalculator; import org.biojava.nbio.structure.asa.GroupAsa; +import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.PolymerType; import org.biojava.nbio.structure.io.FileConvert; import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.mmcif.MMCIFFileTools; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.model.AtomSite; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; import org.biojava.nbio.structure.xtal.CrystalTransform; import org.slf4j.Logger; import org.slf4j.LoggerFactory; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java index bb92724aa4..aee22b0767 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java @@ -23,12 +23,9 @@ package org.biojava.nbio.structure.io; import org.biojava.nbio.structure.*; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.ChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; -import org.biojava.nbio.structure.io.mmcif.model.ChemCompBond; -import org.biojava.nbio.structure.io.mmcif.model.StructConn; import org.biojava.nbio.structure.io.util.PDBTemporaryStorageUtils.LinkRecord; +import org.rcsb.cif.model.ValueKind; +import org.rcsb.cif.schema.mm.StructConn; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -53,8 +50,6 @@ * */ public class BondMaker { - - private static final Logger logger = LoggerFactory.getLogger(BondMaker.class); /** @@ -366,41 +361,44 @@ public void formLinkRecordBond(LinkRecord linkRecord) { } - public void formBondsFromStructConn(List structConn) { - + public void formBondsFromStructConn(StructConn conn) { final String symop = "1_555"; // For now - accept bonds within origin asymmetric unit. - List ssbonds = new ArrayList<>(); - for (StructConn conn : structConn) { - - if (!BOND_TYPES_TO_PARSE.contains(conn.getConn_type_id())) continue; + for (int i = 0; i < conn.getRowCount(); i++) { + if (!BOND_TYPES_TO_PARSE.contains(conn.getConnTypeId().get(i))) continue; String chainId1; String chainId2; - chainId1 = conn.getPtnr1_label_asym_id(); - chainId2 = conn.getPtnr2_label_asym_id(); + chainId1 = conn.getPtnr1LabelAsymId().get(i); + chainId2 = conn.getPtnr2LabelAsymId().get(i); String insCode1 = ""; - if (conn.getPdbx_ptnr1_PDB_ins_code() != null && - !conn.getPdbx_ptnr1_PDB_ins_code().equals("?")) insCode1 = conn.getPdbx_ptnr1_PDB_ins_code(); + if (conn.getPdbxPtnr1PDBInsCode().getValueKind(i) == ValueKind.PRESENT) { + insCode1 = conn.getPdbxPtnr1PDBInsCode().get(i); + } String insCode2 = ""; - if (conn.getPdbx_ptnr2_PDB_ins_code() != null && - !conn.getPdbx_ptnr2_PDB_ins_code().equals("?")) insCode2 = conn.getPdbx_ptnr2_PDB_ins_code(); - - String seqId1 = conn.getPtnr1_auth_seq_id(); - String seqId2 = conn.getPtnr2_auth_seq_id(); - String resName1 = conn.getPtnr1_label_comp_id(); - String resName2 = conn.getPtnr2_label_comp_id(); - String atomName1 = conn.getPtnr1_label_atom_id(); - String atomName2 = conn.getPtnr2_label_atom_id(); + if (conn.getPdbxPtnr2PDBInsCode().getValueKind(i) == ValueKind.PRESENT) { + insCode2 = conn.getPdbxPtnr2PDBInsCode().get(i); + } + + String seqId1 = conn.getPtnr1AuthSeqId().getStringData(i); + String seqId2 = conn.getPtnr2AuthSeqId().getStringData(i); + String resName1 = conn.getPtnr1LabelCompId().get(i); + String resName2 = conn.getPtnr2LabelCompId().get(i); + String atomName1 = conn.getPtnr1LabelAtomId().get(i); + String atomName2 = conn.getPtnr2LabelAtomId().get(i); String altLoc1 = ""; - if (!conn.getPdbx_ptnr1_label_alt_id().equals("?")) altLoc1 = conn.getPdbx_ptnr1_label_alt_id(); + if (conn.getPdbxPtnr1LabelAltId().getValueKind(i) == ValueKind.PRESENT) { + altLoc1 = conn.getPdbxPtnr1LabelAltId().get(i); + } String altLoc2 = ""; - if (!conn.getPdbx_ptnr2_label_alt_id().equals("?")) altLoc2 = conn.getPdbx_ptnr2_label_alt_id(); + if (conn.getPdbxPtnr2LabelAltId().getValueKind(i) == ValueKind.PRESENT) { + altLoc2 = conn.getPdbxPtnr2LabelAltId().get(i); + } // TODO: when issue 220 is implemented, add robust symmetry handling to allow bonds between symmetry-related molecules. - if (!conn.getPtnr1_symmetry().equals(symop) || !conn.getPtnr2_symmetry().equals(symop) ) { + if (!conn.getPtnr1Symmetry().get(i).equals(symop) || !conn.getPtnr2Symmetry().get(i).equals(symop) ) { logger.info("Skipping bond between atoms {}(residue {}{}) and {}(residue {}{}) belonging to different symmetry partners, because it is not supported yet", atomName1, seqId1, insCode1, atomName2, seqId2, insCode2); continue; @@ -441,20 +439,19 @@ public void formBondsFromStructConn(List structConn) { } // assuming order 1 for all bonds, no information is provided by struct_conn - for(int i=0; i list = MMCIFFileTools.convertStructureToAtomSites(structure); - - - str.append(MMCIFFileTools.toMMCIF(list,AtomSite.class)); - - return str.toString(); + public static String toMMCIF(Chain chain, String authId, String asymId) { + return CifFileConverter.toText(chain, authId, asymId); } - public static String toMMCIF(Chain chain, String authId, String asymId, boolean writeHeader) { - StringBuilder str = new StringBuilder(); - - if (writeHeader) - str.append(getAtomSiteHeader()); - - - List list = MMCIFFileTools.convertChainToAtomSites(chain, 1, authId, asymId); - - str.append(MMCIFFileTools.toMMCIF(list,AtomSite.class)); - return str.toString(); - } - - public static String toMMCIF(Chain chain, boolean writeHeader) { - StringBuilder sb = new StringBuilder(); - sb.append(SimpleMMcifParser.MMCIF_TOP_HEADER+"BioJava_mmCIF_file"+newline); - sb.append(toMMCIF(chain, chain.getName(), chain.getId(),writeHeader)); - return sb.toString(); - } - - public static String getAtomSiteHeader() { - String header; - try { - header = MMCIFFileTools.toLoopMmCifHeaderString("_atom_site", AtomSite.class.getName()); - - } catch (ClassNotFoundException e) { - logger.error("Class not found, will not have a header for this MMCIF category: "+e.getMessage()); - header = ""; - } - - return header; + public static String toMMCIF(Chain chain) { + return CifFileConverter.toText(chain); } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/MMCIFFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/MMCIFFileReader.java deleted file mode 100644 index ca91f8d70d..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/MMCIFFileReader.java +++ /dev/null @@ -1,143 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Oct 18, 2008 - */ -package org.biojava.nbio.structure.io; - -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.io.mmcif.MMcifParser; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; - -import java.io.BufferedReader; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; - - -/** How to parse an mmCif file: - * 
      -public static void main(String[] args) throws Exception {
-	String filename =  "/path/to/something.cif.gz" ;
-
-	StructureIOFile reader = new MMCIFFileReader();
-
-	Structure struc = reader.getStructure(filename);
-	System.out.println(struc);
-}
-
      - * - * @author Andreas Prlic - * @since 1.7 - * - */ -public class MMCIFFileReader extends LocalPDBDirectory { - - //private static final Logger logger = LoggerFactory.getLogger(MMCIFFileReader.class); - - public static final String[] MMCIF_SPLIT_DIR = new String[]{"data","structures","divided" ,"mmCIF"}; - public static final String[] MMCIF_OBSOLETE_DIR = new String[]{"data","structures","obsolete","mmCIF"}; - - private SimpleMMcifConsumer consumer; - - public static void main(String[] args) throws Exception { - - MMCIFFileReader reader = new MMCIFFileReader(); - FileParsingParameters params = new FileParsingParameters(); - reader.setFileParsingParameters(params); - - - Structure struc = reader.getStructureById("1m4x"); - System.out.println(struc); - System.out.println(struc.toPDB()); - - - } - - /** - * Constructs a new MMCIFFileReader, initializing the extensions member variable. - * The path is initialized in the same way as {@link UserConfiguration}, - * i.e. to system property/environment variable {@link UserConfiguration#PDB_DIR}. - * Both autoFetch and splitDir are initialized to false - */ - public MMCIFFileReader(){ - this(null); - } - - /** - * Constructs a new PDBFileReader, initializing the extensions member variable. - * The path is initialized to the given path, both autoFetch and splitDir are initialized to false. - */ - public MMCIFFileReader(String path){ - super(path); - addExtension(".cif"); - addExtension(".mmcif"); - addExtension(".cif.gz"); - addExtension(".mmcif.gz"); - } - - @Override - public Structure getStructure(InputStream inStream) throws IOException{ - - MMcifParser parser = new SimpleMMcifParser(); - - consumer = new SimpleMMcifConsumer(); - - consumer.setFileParsingParameters(getFileParsingParameters()); - - - // The Consumer builds up the BioJava - structure object. - // you could also hook in your own and build up you own data model. - parser.addMMcifConsumer(consumer); - - parser.parse(new BufferedReader(new InputStreamReader(inStream))); - - - // now get the protein structure. - Structure cifStructure = consumer.getStructure(); - - return cifStructure; - } - - public SimpleMMcifConsumer getMMcifConsumer(){ - return consumer; - } - -// public void setMMCifConsumer(SimpleMMcifConsumer consumer){ -// this.consumer = consumer; -// } - - @Override - protected String getFilename(String pdbId) { - return pdbId.toLowerCase()+".cif.gz"; - } - - @Override - protected String[] getSplitDirPath() { - return MMCIF_SPLIT_DIR; - } - - @Override - protected String[] getObsoleteDirPath() { - return MMCIF_OBSOLETE_DIR; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java similarity index 84% rename from biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java rename to biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java index 6b39cf9c58..0c039467c1 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java @@ -20,7 +20,6 @@ import org.rcsb.cif.schema.mm.MmCifCategoryBuilder; import org.rcsb.cif.schema.mm.MmCifFileBuilder; -import java.util.ArrayList; import java.util.LinkedHashMap; import java.util.List; import java.util.Map; @@ -28,13 +27,12 @@ import java.util.stream.Collector; /** - * Convert a BioJava {@link Structure} to a CifFile. + * Convert a BioJava object to a CifFile. * @author Sebastian Bittrich * @since 5.3.0 */ -class CifFileSupplierImpl implements CifFileSupplier { - @Override - public CifFile get(Structure structure) { +public abstract class AbstractCifFileSupplier implements CifFileSupplier { + protected CifFile getInternal(Structure structure, List wrappedAtoms) { // for now BioJava only considered 3 categories for create a Cif representation of a structure // cell @@ -42,7 +40,6 @@ public CifFile get(Structure structure) { // symmetry SpaceGroup spaceGroup = structure.getPDBHeader().getCrystallographicInfo().getSpaceGroup(); // atom_site - List wrappedAtoms = collectWrappedAtoms(structure); Category atomSite = wrappedAtoms.stream().collect(toAtomSite()); MmCifBlockBuilder blockBuilder = CifBuilder.enterFile(StandardSchemata.MMCIF) @@ -94,49 +91,40 @@ public CifFile get(Structure structure) { return blockBuilder.leaveBlock().leaveFile(); } - private static List collectWrappedAtoms(Structure structure) { - List wrappedAtoms = new ArrayList<>(); - - for (int modelIndex = 0; modelIndex < structure.nrModels(); modelIndex++) { - final int model = modelIndex + 1; - for (Chain chain : structure.getChains(modelIndex)) { - final String chainName = chain.getName(); - final String chainId = chain.getId(); - for (Group group : chain.getAtomGroups()) { - // The alt locs can have duplicates, since at parsing time we make sure that all alt loc groups have - // all atoms (see StructureTools#cleanUpAltLocs) - // Thus we have to remove duplicates here by using the atom id - // See issue https://github.com/biojava/biojava/issues/778 and - // TestAltLocs.testMmcifWritingAllAltlocs/testMmcifWritingPartialAltlocs - Map uniqueAtoms = new LinkedHashMap<>(); - for (int atomIndex = 0; atomIndex < group.size(); atomIndex++) { - Atom atom = group.getAtom(atomIndex); + protected void handleChain(Chain chain, int model, List wrappedAtoms) { + final String chainName = chain.getName(); + final String chainId = chain.getId(); + for (Group group : chain.getAtomGroups()) { + // The alt locs can have duplicates, since at parsing time we make sure that all alt loc groups have + // all atoms (see StructureTools#cleanUpAltLocs) + // Thus we have to remove duplicates here by using the atom id + // See issue https://github.com/biojava/biojava/issues/778 and + // TestAltLocs.testMmcifWritingAllAltlocs/testMmcifWritingPartialAltlocs + Map uniqueAtoms = new LinkedHashMap<>(); + for (int atomIndex = 0; atomIndex < group.size(); atomIndex++) { + Atom atom = group.getAtom(atomIndex); + if (atom == null) { + continue; + } + + uniqueAtoms.put(atom.getPDBserial(), new WrappedAtom(chain, model, chainName, chainId, atom, atom.getPDBserial())); + } + + if (group.hasAltLoc()) { + for (Group alt : group.getAltLocs()) { + for (int atomIndex = 0; atomIndex < alt.size(); atomIndex++) { + Atom atom = alt.getAtom(atomIndex); if (atom == null) { continue; } uniqueAtoms.put(atom.getPDBserial(), new WrappedAtom(chain, model, chainName, chainId, atom, atom.getPDBserial())); } - - if (group.hasAltLoc()) { - for (Group alt : group.getAltLocs()) { - for (int atomIndex = 0; atomIndex < alt.size(); atomIndex++) { - Atom atom = alt.getAtom(atomIndex); - if (atom == null) { - continue; - } - - uniqueAtoms.put(atom.getPDBserial(), new WrappedAtom(chain, model, chainName, chainId, atom, atom.getPDBserial())); - } - } - } - - wrappedAtoms.addAll(uniqueAtoms.values()); } } - } - return wrappedAtoms; + wrappedAtoms.addAll(uniqueAtoms.values()); + } } static class WrappedAtom { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChainSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChainSupplierImpl.java new file mode 100644 index 0000000000..08516d47b3 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChainSupplierImpl.java @@ -0,0 +1,20 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.Chain; +import org.rcsb.cif.model.CifFile; + +import java.util.ArrayList; +import java.util.List; + +public class ChainSupplierImpl extends AbstractCifFileSupplier { + @Override + public CifFile get(Chain container) { + return getInternal(container.getStructure(), collectWrappedAtoms(container)); + } + + private List collectWrappedAtoms(Chain chain) { + List wrappedAtoms = new ArrayList<>(); + handleChain(chain, 1, wrappedAtoms); + return wrappedAtoms; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java new file mode 100644 index 0000000000..c8553b21c7 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java @@ -0,0 +1,14 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.chem.ChemComp; +import org.rcsb.cif.schema.mm.ChemCompAtom; +import org.rcsb.cif.schema.mm.ChemCompBond; +import org.rcsb.cif.schema.mm.PdbxChemCompDescriptor; + +public interface ChemCompConsumer extends CifFileConsumer { + void consumeChemCompAtom(ChemCompAtom chemCompAtom); + + void consumeChemCompBond(ChemCompBond chemCompBond); + + void consumePdbxChemCompDescriptor(PdbxChemCompDescriptor pdbxChemCompDescriptor); +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java new file mode 100644 index 0000000000..f97a89d271 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java @@ -0,0 +1,70 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.ChemicalComponentDictionary; +import org.biojava.nbio.structure.chem.ResidueType; +import org.rcsb.cif.schema.mm.ChemCompAtom; +import org.rcsb.cif.schema.mm.ChemCompBond; +import org.rcsb.cif.schema.mm.PdbxChemCompDescriptor; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +public class ChemCompConsumerImpl implements ChemCompConsumer { + private static final Logger logger = LoggerFactory.getLogger(ChemCompConsumerImpl.class); + private ChemicalComponentDictionary dictionary; + private String latestChemCompId; + + public ChemCompConsumerImpl(){ + dictionary = new ChemicalComponentDictionary(); + } + + @Override + public void prepare() { + + } + + public ChemicalComponentDictionary getDictionary(){ + return dictionary; + } + + @Override + public void consumeChemCompAtom(ChemCompAtom chemCompAtom) { + dictionary.getChemComp(latestChemCompId).getAtoms().add(chemCompAtom); + } + + @Override + public void consumeChemCompBond(ChemCompBond chemCompBond) { + dictionary.getChemComp(latestChemCompId).getBonds().add(chemCompBond); + } + + @Override + public void consumePdbxChemCompDescriptor(PdbxChemCompDescriptor pdbxChemCompDescriptor) { + ChemComp cc = dictionary.getChemComp(latestChemCompId); + cc.getDescriptors().add(pdbxChemCompDescriptor); + } + + @Override + public void finish() { + + } + + @Override + public ChemComp getContainer() { + if (c.getId() == null) + logger.warn("chem comp ID == null " + c); + + latestChemCompId = c.getId(); + dictionary.addChemComp(c); + if (c.getResidueType() == ResidueType.nonPolymer) { + return; + } + + if (c.getResidueType() == ResidueType.saccharide) { + return; + } + + if (c.getResidueType() == ResidueType.dSaccharide) { + return; + } + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifBean.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifBean.java new file mode 100644 index 0000000000..1196aafada --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifBean.java @@ -0,0 +1,12 @@ +package org.biojava.nbio.structure.io.cif; + +import org.rcsb.cif.model.Category; + +import java.io.Serializable; + +/** + * Flag for BioJava beans that actually resemble categories defined by the mmCIF schema. + * @param the modeled ciftools-java category + */ +public interface CifBean extends Serializable { +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java index d15c9cc140..198f288305 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java @@ -1,5 +1,7 @@ package org.biojava.nbio.structure.io.cif; +import org.biojava.nbio.structure.chem.ChemCompAtom; +import org.biojava.nbio.structure.chem.ChemCompDescriptor; import org.rcsb.cif.schema.mm.AtomSite; import org.rcsb.cif.schema.mm.AtomSites; import org.rcsb.cif.schema.mm.AuditAuthor; @@ -53,282 +55,12 @@ * @author Sebastian Bittrich * @since 5.3.0 */ -interface CifFileConsumer { +public interface CifFileConsumer { /** * Setup routine which initializes a new container. */ void prepare(); - /** - * Consume a particular Cif category. - * @param atomSite data - */ - void consumeAtomSite(AtomSite atomSite); - - /** - * Consume a particular Cif category. - * @param atomSites data - */ - void consumeAtomSites(AtomSites atomSites); - - /** - * Consume a particular Cif category. - * @param auditAuthor data - */ - void consumeAuditAuthor(AuditAuthor auditAuthor); - - /** - * Consume a particular Cif category. - * @param cell data - */ - void consumeCell(Cell cell); - - /** - * Consume a particular Cif category. - * @param chemComp data - */ - void consumeChemComp(ChemComp chemComp); - - /** - * Consume a particular Cif category. - * @param chemCompBond data - */ - void consumeChemCompBond(ChemCompBond chemCompBond); - - /** - * Consume a particular Cif category. - * @param databasePDBremark data - */ - void consumeDatabasePDBremark(DatabasePDBRemark databasePDBremark); - - /** - * Consume a particular Cif category. - * @param databasePDBrev data - */ - void consumeDatabasePDBrev(DatabasePDBRev databasePDBrev); - - /** - * Consume a particular Cif category. - * @param databasePDBrevRecord data - */ - void consumeDatabasePDBrevRecord(DatabasePDBRevRecord databasePDBrevRecord); - - /** - * Consume a particular Cif category. - * @param entity data - */ - void consumeEntity(Entity entity); - - /** - * Consume a particular Cif category. - * @param entityPoly data - */ - void consumeEntityPoly(EntityPoly entityPoly); - - /** - * Consume a particular Cif category. - * @param entitySrcGen data - */ - void consumeEntitySrcGen(EntitySrcGen entitySrcGen); - - /** - * Consume a particular Cif category. - * @param entitySrcNat data - */ - void consumeEntitySrcNat(EntitySrcNat entitySrcNat); - - /** - * Consume a particular Cif category. - * @param entitySrcSyn data - */ - void consumeEntitySrcSyn(PdbxEntitySrcSyn entitySrcSyn); - - /** - * Consume a particular Cif category. - * @param entityPolySeq data - */ - void consumeEntityPolySeq(EntityPolySeq entityPolySeq); - - /** - * Consume a particular Cif category. - * @param exptl data - */ - void consumeExptl(Exptl exptl); - - /** - * Consume a particular Cif category. - * @param pdbxAuditRevisionHistory data - */ - void consumePdbxAuditRevisionHistory(PdbxAuditRevisionHistory pdbxAuditRevisionHistory); - - /** - * Consume a particular Cif category. - * @param pdbxChemCompIdentifier data - */ - void consumePdbxChemCompIdentifier(PdbxChemCompIdentifier pdbxChemCompIdentifier); - - /** - * Consume a particular Cif category. - * @param pdbxDatabaseStatus data - */ - void consumePdbxDatabaseStatus(PdbxDatabaseStatus pdbxDatabaseStatus); - - /** - * Consume a particular Cif category. - * @param pdbxEntityBranchDescriptor data - */ - void consumePdbxEntityBranchDescriptor(PdbxEntityBranchDescriptor pdbxEntityBranchDescriptor); - - /** - * Consume a particular Cif category. - * @param pdbxMolecule data - */ - void consumePdbxMolecule(PdbxMolecule pdbxMolecule); - - /** - * Consume a particular Cif category. - * @param pdbxMoleculeFeatures data - */ - void consumePdbxMoleculeFeatures(PdbxMoleculeFeatures pdbxMoleculeFeatures); - - /** - * Consume a particular Cif category. - * @param pdbxNonpolyScheme data - */ - void consumePdbxNonpolyScheme(PdbxNonpolyScheme pdbxNonpolyScheme); - - /** - * Consume a particular Cif category. - * @param pdbxReferenceEntityLink data - */ - void consumePdbxReferenceEntityLink(PdbxReferenceEntityLink pdbxReferenceEntityLink); - - /** - * Consume a particular Cif category. - * @param pdbxReferenceEntityList data - */ - void consumePdbxReferenceEntityList(PdbxReferenceEntityList pdbxReferenceEntityList); - - /** - * Consume a particular Cif category. - * @param pdbxReferenceEntityPolyLink data - */ - void consumePdbxReferenceEntityPolyLink(PdbxReferenceEntityPolyLink pdbxReferenceEntityPolyLink); - - /** - * Consume a particular Cif category. - * @param pdbxStructAssembly data - */ - void consumePdbxStructAssembly(PdbxStructAssembly pdbxStructAssembly); - - /** - * Consume a particular Cif category. - * @param pdbxStructAssemblyGen data - */ - void consumePdbxStructAssemblyGen(PdbxStructAssemblyGen pdbxStructAssemblyGen); - - /** - * Consume a particular Cif category. - * @param pdbxStructModResidue data - */ - void consumePdbxStructModResidue(PdbxStructModResidue pdbxStructModResidue); - - /** - * Consume a particular Cif category. - * @param pdbxStructOperList data - */ - void consumePdbxStructOperList(PdbxStructOperList pdbxStructOperList); - - /** - * Consume a particular Cif category. - * @param refine data - */ - void consumeRefine(Refine refine); - - /** - * Consume a particular Cif category. - * @param struct data - */ - void consumeStruct(Struct struct); - - /** - * Consume a particular Cif category. - * @param structAsym data - */ - void consumeStructAsym(StructAsym structAsym); - - /** - * Consume a particular Cif category. - * @param structConf data - */ - void consumeStructConf(StructConf structConf); - - /** - * Consume a particular Cif category. - * @param structConn data - */ - void consumeStructConn(StructConn structConn); - - /** - * Consume a particular Cif category. - * @param structConnType data - */ - void consumeStructConnType(StructConnType structConnType); - - /** - * Consume a particular Cif category. - * @param structKeywords data - */ - void consumeStructKeywords(StructKeywords structKeywords); - - /** - * Consume a particular Cif category. - * @param structNcsOper data - */ - void consumeStructNcsOper(StructNcsOper structNcsOper); - - /** - * Consume a particular Cif category. - * @param structRef data - */ - void consumeStructRef(StructRef structRef); - - /** - * Consume a particular Cif category. - * @param structRefSeq data - */ - void consumeStructRefSeq(StructRefSeq structRefSeq); - - /** - * Consume a particular Cif category. - * @param structRefSeqDif data - */ - void consumeStructRefSeqDif(StructRefSeqDif structRefSeqDif); - - /** - * Consume a particular Cif category. - * @param structSheetRange data - */ - void consumeStructSheetRange(StructSheetRange structSheetRange); - - /** - * Consume a particular Cif category. - * @param structSite data - */ - void consumeStructSite(StructSite structSite); - - /** - * Consume a particular Cif category. - * @param structSiteGen data - */ - void consumeStructSiteGen(StructSiteGen structSiteGen); - - /** - * Consume a particular Cif category. - * @param symmetry data - */ - void consumeSymmetry(Symmetry symmetry); - /** * Ultimate setup which can include steps which require several categories to be available and integrate them into * the final container. diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java index 8f82e310b6..30e5682b69 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java @@ -1,5 +1,6 @@ package org.biojava.nbio.structure.io.cif; +import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.io.FileParsingParameters; import org.rcsb.cif.CifIO; @@ -9,6 +10,7 @@ import java.io.IOException; import java.io.InputStream; +import java.io.UncheckedIOException; import java.net.URL; import java.nio.file.Files; import java.nio.file.Path; @@ -99,7 +101,7 @@ public static Structure fromCifFile(CifFile cifFile) { */ public static Structure fromCifFile(CifFile cifFile, FileParsingParameters parameters) { // initialize consumer - CifFileConsumer consumer = new CifFileConsumerImpl(parameters); + StructureConsumer consumer = new StructureConsumerImpl(parameters); // init structure consumer.prepare(); @@ -113,9 +115,9 @@ public static Structure fromCifFile(CifFile cifFile, FileParsingParameters param consumer.consumeCell(cifBlock.getCell()); consumer.consumeChemComp(cifBlock.getChemComp()); consumer.consumeChemCompBond(cifBlock.getChemCompBond()); - consumer.consumeDatabasePDBremark(cifBlock.getDatabasePDBRemark()); - consumer.consumeDatabasePDBrev(cifBlock.getDatabasePDBRev()); - consumer.consumeDatabasePDBrevRecord(cifBlock.getDatabasePDBRevRecord()); + consumer.consumeDatabasePDBRemark(cifBlock.getDatabasePDBRemark()); + consumer.consumeDatabasePDBRev(cifBlock.getDatabasePDBRev()); + consumer.consumeDatabasePDBRevRecord(cifBlock.getDatabasePDBRevRecord()); consumer.consumeEntity(cifBlock.getEntity()); consumer.consumeEntityPoly(cifBlock.getEntityPoly()); consumer.consumeEntitySrcGen(cifBlock.getEntitySrcGen()); @@ -183,20 +185,39 @@ public static void toBinaryFile(Structure structure, Path path) throws IOExcepti * Convert a structure to BCIF format. * @param structure the source * @return the binary representation of the structure - * @throws IOException thrown when writing fails */ - public static byte[] toBinary(Structure structure) throws IOException { - return CifIO.writeText(toCifFile(structure)); + public static byte[] toBinary(Structure structure) { + try { + return CifIO.writeText(toCifFile(structure)); + } catch (IOException e) { + throw new UncheckedIOException(e); + } } /** * Convert a structure to mmCIF format. * @param structure the source * @return the mmCIF String representation of the structure - * @throws IOException thrown when writing fails */ - public static String toText(Structure structure) throws IOException { - return new String(CifIO.writeText(toCifFile(structure))); + public static String toText(Structure structure) { + try { + return new String(CifIO.writeText(toCifFile(structure))); + } catch (IOException e) { + throw new UncheckedIOException(e); + } + } + + /** + * Convert a chain to mmCIF format. + * @param chain the source + * @return the mmCIF String representation of the chain + */ + public static String toText(Chain chain) { + try { + return new String(CifIO.writeText(toCifFile(chain))); + } catch (IOException e) { + throw new UncheckedIOException(e); + } } /** @@ -205,6 +226,15 @@ public static String toText(Structure structure) throws IOException { * @return the target */ public static CifFile toCifFile(Structure structure) { - return new CifFileSupplierImpl().get(structure); + return new AbstractCifFileSupplier().getStructure(structure); + } + + /** + * Convert Chain to CifFile + * @param chain the source + * @return the target + */ + public static CifFile toCifFile(Chain chain) { + return new AbstractCifFileSupplier().getChain(chain); } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java index a4fcbe4c90..08f35fce54 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java @@ -2,13 +2,15 @@ import org.rcsb.cif.model.CifFile; +import java.util.function.Supplier; + /** * Create a CifFile instance for a given container of structure data. * @param the container type used as source * @author Sebastian Bittrich * @since 5.3.0 */ -interface CifFileSupplier { +public interface CifFileSupplier { /** * Convert some model instance describing structure information to a CifFile instance. * @param container the source of structure information diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumer.java new file mode 100644 index 0000000000..9594a2c71d --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumer.java @@ -0,0 +1,320 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.Structure; +import org.rcsb.cif.schema.mm.AtomSite; +import org.rcsb.cif.schema.mm.AtomSites; +import org.rcsb.cif.schema.mm.AuditAuthor; +import org.rcsb.cif.schema.mm.Cell; +import org.rcsb.cif.schema.mm.ChemComp; +import org.rcsb.cif.schema.mm.ChemCompBond; +import org.rcsb.cif.schema.mm.DatabasePDBRemark; +import org.rcsb.cif.schema.mm.DatabasePDBRev; +import org.rcsb.cif.schema.mm.DatabasePDBRevRecord; +import org.rcsb.cif.schema.mm.Entity; +import org.rcsb.cif.schema.mm.EntityPoly; +import org.rcsb.cif.schema.mm.EntityPolySeq; +import org.rcsb.cif.schema.mm.EntitySrcGen; +import org.rcsb.cif.schema.mm.EntitySrcNat; +import org.rcsb.cif.schema.mm.Exptl; +import org.rcsb.cif.schema.mm.PdbxAuditRevisionHistory; +import org.rcsb.cif.schema.mm.PdbxChemCompIdentifier; +import org.rcsb.cif.schema.mm.PdbxDatabaseStatus; +import org.rcsb.cif.schema.mm.PdbxEntityBranchDescriptor; +import org.rcsb.cif.schema.mm.PdbxEntitySrcSyn; +import org.rcsb.cif.schema.mm.PdbxMolecule; +import org.rcsb.cif.schema.mm.PdbxMoleculeFeatures; +import org.rcsb.cif.schema.mm.PdbxNonpolyScheme; +import org.rcsb.cif.schema.mm.PdbxReferenceEntityLink; +import org.rcsb.cif.schema.mm.PdbxReferenceEntityList; +import org.rcsb.cif.schema.mm.PdbxReferenceEntityPolyLink; +import org.rcsb.cif.schema.mm.PdbxStructAssembly; +import org.rcsb.cif.schema.mm.PdbxStructAssemblyGen; +import org.rcsb.cif.schema.mm.PdbxStructModResidue; +import org.rcsb.cif.schema.mm.PdbxStructOperList; +import org.rcsb.cif.schema.mm.Refine; +import org.rcsb.cif.schema.mm.Struct; +import org.rcsb.cif.schema.mm.StructAsym; +import org.rcsb.cif.schema.mm.StructConf; +import org.rcsb.cif.schema.mm.StructConn; +import org.rcsb.cif.schema.mm.StructConnType; +import org.rcsb.cif.schema.mm.StructKeywords; +import org.rcsb.cif.schema.mm.StructNcsOper; +import org.rcsb.cif.schema.mm.StructRef; +import org.rcsb.cif.schema.mm.StructRefSeq; +import org.rcsb.cif.schema.mm.StructRefSeqDif; +import org.rcsb.cif.schema.mm.StructSheetRange; +import org.rcsb.cif.schema.mm.StructSite; +import org.rcsb.cif.schema.mm.StructSiteGen; +import org.rcsb.cif.schema.mm.Symmetry; + +public interface StructureConsumer extends CifFileConsumer { + /** + * Consume a particular Cif category. + * @param atomSite data + */ + void consumeAtomSite(AtomSite atomSite); + + /** + * Consume a particular Cif category. + * @param atomSites data + */ + void consumeAtomSites(AtomSites atomSites); + + /** + * Consume a particular Cif category. + * @param auditAuthor data + */ + void consumeAuditAuthor(AuditAuthor auditAuthor); + + /** + * Consume a particular Cif category. + * @param cell data + */ + void consumeCell(Cell cell); + + /** + * Consume a particular Cif category. + * @param chemComp data + */ + void consumeChemComp(ChemComp chemComp); + + /** + * Consume a particular Cif category. + * @param chemCompBond data + */ + void consumeChemCompBond(ChemCompBond chemCompBond); + + /** + * Consume a particular Cif category. + * @param databasePDBremark data + */ + void consumeDatabasePDBRemark(DatabasePDBRemark databasePDBremark); + + /** + * Consume a particular Cif category. + * @param databasePDBrev data + */ + void consumeDatabasePDBRev(DatabasePDBRev databasePDBrev); + + /** + * Consume a particular Cif category. + * @param databasePDBrevRecord data + */ + void consumeDatabasePDBRevRecord(DatabasePDBRevRecord databasePDBrevRecord); + + /** + * Consume a particular Cif category. + * @param entity data + */ + void consumeEntity(Entity entity); + + /** + * Consume a particular Cif category. + * @param entityPoly data + */ + void consumeEntityPoly(EntityPoly entityPoly); + + /** + * Consume a particular Cif category. + * @param entitySrcGen data + */ + void consumeEntitySrcGen(EntitySrcGen entitySrcGen); + + /** + * Consume a particular Cif category. + * @param entitySrcNat data + */ + void consumeEntitySrcNat(EntitySrcNat entitySrcNat); + + /** + * Consume a particular Cif category. + * @param entitySrcSyn data + */ + void consumeEntitySrcSyn(PdbxEntitySrcSyn entitySrcSyn); + + /** + * Consume a particular Cif category. + * @param entityPolySeq data + */ + void consumeEntityPolySeq(EntityPolySeq entityPolySeq); + + /** + * Consume a particular Cif category. + * @param exptl data + */ + void consumeExptl(Exptl exptl); + + /** + * Consume a particular Cif category. + * @param pdbxAuditRevisionHistory data + */ + void consumePdbxAuditRevisionHistory(PdbxAuditRevisionHistory pdbxAuditRevisionHistory); + + /** + * Consume a particular Cif category. + * @param pdbxChemCompIdentifier data + */ + void consumePdbxChemCompIdentifier(PdbxChemCompIdentifier pdbxChemCompIdentifier); + + /** + * Consume a particular Cif category. + * @param pdbxDatabaseStatus data + */ + void consumePdbxDatabaseStatus(PdbxDatabaseStatus pdbxDatabaseStatus); + + /** + * Consume a particular Cif category. + * @param pdbxEntityBranchDescriptor data + */ + void consumePdbxEntityBranchDescriptor(PdbxEntityBranchDescriptor pdbxEntityBranchDescriptor); + + /** + * Consume a particular Cif category. + * @param pdbxMolecule data + */ + void consumePdbxMolecule(PdbxMolecule pdbxMolecule); + + /** + * Consume a particular Cif category. + * @param pdbxMoleculeFeatures data + */ + void consumePdbxMoleculeFeatures(PdbxMoleculeFeatures pdbxMoleculeFeatures); + + /** + * Consume a particular Cif category. + * @param pdbxNonpolyScheme data + */ + void consumePdbxNonpolyScheme(PdbxNonpolyScheme pdbxNonpolyScheme); + + /** + * Consume a particular Cif category. + * @param pdbxReferenceEntityLink data + */ + void consumePdbxReferenceEntityLink(PdbxReferenceEntityLink pdbxReferenceEntityLink); + + /** + * Consume a particular Cif category. + * @param pdbxReferenceEntityList data + */ + void consumePdbxReferenceEntityList(PdbxReferenceEntityList pdbxReferenceEntityList); + + /** + * Consume a particular Cif category. + * @param pdbxReferenceEntityPolyLink data + */ + void consumePdbxReferenceEntityPolyLink(PdbxReferenceEntityPolyLink pdbxReferenceEntityPolyLink); + + /** + * Consume a particular Cif category. + * @param pdbxStructAssembly data + */ + void consumePdbxStructAssembly(PdbxStructAssembly pdbxStructAssembly); + + /** + * Consume a particular Cif category. + * @param pdbxStructAssemblyGen data + */ + void consumePdbxStructAssemblyGen(PdbxStructAssemblyGen pdbxStructAssemblyGen); + + /** + * Consume a particular Cif category. + * @param pdbxStructModResidue data + */ + void consumePdbxStructModResidue(PdbxStructModResidue pdbxStructModResidue); + + /** + * Consume a particular Cif category. + * @param pdbxStructOperList data + */ + void consumePdbxStructOperList(PdbxStructOperList pdbxStructOperList); + + /** + * Consume a particular Cif category. + * @param refine data + */ + void consumeRefine(Refine refine); + + /** + * Consume a particular Cif category. + * @param struct data + */ + void consumeStruct(Struct struct); + + /** + * Consume a particular Cif category. + * @param structAsym data + */ + void consumeStructAsym(StructAsym structAsym); + + /** + * Consume a particular Cif category. + * @param structConf data + */ + void consumeStructConf(StructConf structConf); + + /** + * Consume a particular Cif category. + * @param structConn data + */ + void consumeStructConn(StructConn structConn); + + /** + * Consume a particular Cif category. + * @param structConnType data + */ + void consumeStructConnType(StructConnType structConnType); + + /** + * Consume a particular Cif category. + * @param structKeywords data + */ + void consumeStructKeywords(StructKeywords structKeywords); + + /** + * Consume a particular Cif category. + * @param structNcsOper data + */ + void consumeStructNcsOper(StructNcsOper structNcsOper); + + /** + * Consume a particular Cif category. + * @param structRef data + */ + void consumeStructRef(StructRef structRef); + + /** + * Consume a particular Cif category. + * @param structRefSeq data + */ + void consumeStructRefSeq(StructRefSeq structRefSeq); + + /** + * Consume a particular Cif category. + * @param structRefSeqDif data + */ + void consumeStructRefSeqDif(StructRefSeqDif structRefSeqDif); + + /** + * Consume a particular Cif category. + * @param structSheetRange data + */ + void consumeStructSheetRange(StructSheetRange structSheetRange); + + /** + * Consume a particular Cif category. + * @param structSite data + */ + void consumeStructSite(StructSite structSite); + + /** + * Consume a particular Cif category. + * @param structSiteGen data + */ + void consumeStructSiteGen(StructSiteGen structSiteGen); + + /** + * Consume a particular Cif category. + * @param symmetry data + */ + void consumeSymmetry(Symmetry symmetry); +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java similarity index 89% rename from biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java rename to biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java index a3af75fc91..d858536847 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java @@ -7,7 +7,6 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.ChainImpl; import org.biojava.nbio.structure.DBRef; -import org.biojava.nbio.structure.DatabasePdbRevRecord; import org.biojava.nbio.structure.Element; import org.biojava.nbio.structure.EntityInfo; import org.biojava.nbio.structure.EntityType; @@ -25,12 +24,12 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.io.BondMaker; import org.biojava.nbio.structure.io.ChargeAdder; import org.biojava.nbio.structure.io.EntityFinder; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.SeqRes2AtomAligner; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; @@ -99,15 +98,12 @@ /** * An implementation of a CifFileConsumer for BioJava. Will process the information provided by a CifFile instance and - * use it to build up a {@link Structure} object. The implementation is for the most part really close to that in - * {@link org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer} and associated classes. The main difference is that - * all internally used model classes are generated from the MMCIF schema and a standardized interface to CifFile data is - * provided. This allows to readily parse files in CIF format as well as binary CIF (BCIF) format. + * use it to build up a {@link Structure} object. * @author Sebastian Bittrich - * @since 5.3.0 + * @since 6.0.0 */ -class CifFileConsumerImpl implements CifFileConsumer { - private static final Logger logger = LoggerFactory.getLogger(CifFileConsumerImpl.class); +public class StructureConsumerImpl implements StructureConsumer { + private static final Logger logger = LoggerFactory.getLogger(StructureConsumerImpl.class); private static final DateTimeFormatter DATE_FORMAT = new DateTimeFormatterBuilder() .parseCaseInsensitive() .appendPattern("yyyy-MM-dd") @@ -144,7 +140,7 @@ class CifFileConsumerImpl implements CifFileConsumer { private final FileParsingParameters params; - public CifFileConsumerImpl(FileParsingParameters params) { + public StructureConsumerImpl(FileParsingParameters params) { this.params = params; } @@ -575,7 +571,7 @@ public void consumeChemCompBond(ChemCompBond chemCompBond) { } @Override - public void consumeDatabasePDBremark(DatabasePDBRemark databasePDBremark) { + public void consumeDatabasePDBRemark(DatabasePDBRemark databasePDBremark) { for (int rowIndex = 0; rowIndex < databasePDBremark.getRowCount(); rowIndex++) { int id = databasePDBremark.getId().get(rowIndex); if (id == 2) { @@ -603,7 +599,7 @@ private Date convert(LocalDate localDate) { } @Override - public void consumeDatabasePDBrev(DatabasePDBRev databasePDBrev) { + public void consumeDatabasePDBRev(DatabasePDBRev databasePDBrev) { logger.debug("got a database revision:" + databasePDBrev); for (int rowIndex = 0; rowIndex < databasePDBrev.getRowCount(); rowIndex++) { @@ -621,26 +617,16 @@ public void consumeDatabasePDBrev(DatabasePDBRev databasePDBrev) { } @Override - public void consumeDatabasePDBrevRecord(DatabasePDBRevRecord databasePDBrevRecord) { - List revRecords = pdbHeader.getRevisionRecords(); + public void consumeDatabasePDBRevRecord(DatabasePDBRevRecord databasePDBrevRecord) { + List revRecords = pdbHeader.getRevisionRecords(); if (revRecords == null) { revRecords = new ArrayList<>(); pdbHeader.setRevisionRecords(revRecords); } - revRecords.addAll(convert(databasePDBrevRecord)); - } - - private List convert(DatabasePDBRevRecord databasePDBrevRecord) { - List revRecords = new ArrayList<>(); - for (int rowIndex = 0; rowIndex < databasePDBrevRecord.getRowCount(); rowIndex++) { - DatabasePdbRevRecord revRecord = new DatabasePdbRevRecord(); - revRecord.setDetails(databasePDBrevRecord.getDetails().get(rowIndex)); - revRecord.setRev_num(databasePDBrevRecord.getRevNum().getStringData(rowIndex)); - revRecord.setType(databasePDBrevRecord.getType().get(rowIndex)); - revRecords.add(revRecord); + for (int i = 0; i < databasePDBrevRecord.getRowCount(); i++) { + revRecords.add(new org.biojava.nbio.structure.DatabasePDBRevRecord(databasePDBrevRecord, i)); } - return revRecords; } @Override @@ -1183,25 +1169,24 @@ public void finish() { // the more detailed mapping of chains to rotation operations happens in StructureIO... Map bioAssemblies = new LinkedHashMap<>(); - List structAssemblies = convert(structAssembly); - List structAssemblyGens = convert(structAssemblyGen); - - for (org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssembly pdbxStructAssembly : structAssemblies) { - List pdbxStructAssemblyGens = structAssemblyGens.stream() - .filter(sag -> sag.getAssembly_id().equals(pdbxStructAssembly.getId())) - .collect(Collectors.toList()); - + for (int i = 0; i < structAssembly.getRowCount(); i++) { + String assemblyId = structAssembly.getId().get(i); + List structAssemblyGenIndices = new ArrayList<>(); + for (int j = 0; j < structAssemblyGen.getRowCount(); j++) { + if (structAssemblyGen.getAssemblyId().get(j).equals(assemblyId)) { + structAssemblyGenIndices.add(j); + } + } BiologicalAssemblyBuilder builder = new BiologicalAssemblyBuilder(); - // these are the transformations that need to be applied to our model - List transformations = builder.getBioUnitTransformationList(pdbxStructAssembly, - pdbxStructAssemblyGens, convert(structOpers)); + List transformations = builder.getBioUnitTransformationList(structAssembly, + i, structAssemblyGen, structOpers); int bioAssemblyId = -1; try { - bioAssemblyId = Integer.parseInt(pdbxStructAssembly.getId()); + bioAssemblyId = Integer.parseInt(assemblyId); } catch (NumberFormatException e) { - logger.info("Could not parse a numerical bio assembly id from '{}'", pdbxStructAssembly.getId()); + logger.info("Could not parse a numerical bio assembly id from '{}'", assemblyId); } // if bioassembly id is not numerical we throw it away @@ -1418,68 +1403,6 @@ private void setStructNcsOps() { } } - private List convert(PdbxStructOperList structOpers) { - List re = new ArrayList<>(); - for (int rowIndex = 0; rowIndex < structOpers.getRowCount(); rowIndex++) { - org.biojava.nbio.structure.io.mmcif.model.PdbxStructOperList pdbxStructOperList = - new org.biojava.nbio.structure.io.mmcif.model.PdbxStructOperList(); - - pdbxStructOperList.setId(structOpers.getId().get(rowIndex)); - pdbxStructOperList.setName(structOpers.getName().get(rowIndex)); - pdbxStructOperList.setSymmetry_operation(structOpers.getSymmetryOperation().get(rowIndex)); - pdbxStructOperList.setType(structOpers.getType().get(rowIndex)); - - pdbxStructOperList.setMatrix11(String.valueOf(structOpers.getMatrix11().get(rowIndex))); - pdbxStructOperList.setMatrix12(String.valueOf(structOpers.getMatrix12().get(rowIndex))); - pdbxStructOperList.setMatrix13(String.valueOf(structOpers.getMatrix13().get(rowIndex))); - pdbxStructOperList.setMatrix21(String.valueOf(structOpers.getMatrix21().get(rowIndex))); - pdbxStructOperList.setMatrix22(String.valueOf(structOpers.getMatrix22().get(rowIndex))); - pdbxStructOperList.setMatrix23(String.valueOf(structOpers.getMatrix23().get(rowIndex))); - pdbxStructOperList.setMatrix31(String.valueOf(structOpers.getMatrix31().get(rowIndex))); - pdbxStructOperList.setMatrix32(String.valueOf(structOpers.getMatrix32().get(rowIndex))); - pdbxStructOperList.setMatrix33(String.valueOf(structOpers.getMatrix33().get(rowIndex))); - - pdbxStructOperList.setVector1(String.valueOf(structOpers.getVector1().get(rowIndex))); - pdbxStructOperList.setVector2(String.valueOf(structOpers.getVector2().get(rowIndex))); - pdbxStructOperList.setVector3(String.valueOf(structOpers.getVector3().get(rowIndex))); - - re.add(pdbxStructOperList); - } - return re; - } - - private List convert(PdbxStructAssemblyGen structAssemblyGen) { - List re = new ArrayList<>(); - for (int rowIndex = 0; rowIndex < structAssemblyGen.getRowCount(); rowIndex++) { - org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssemblyGen pdbxStructAssemblyGen = - new org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssemblyGen(); - - pdbxStructAssemblyGen.setAssembly_id(structAssemblyGen.getAssemblyId().get(rowIndex)); - pdbxStructAssemblyGen.setAsym_id_list(structAssemblyGen.getAsymIdList().get(rowIndex)); - pdbxStructAssemblyGen.setOper_expression(structAssemblyGen.getOperExpression().get(rowIndex)); - - re.add(pdbxStructAssemblyGen); - } - return re; - } - - private List convert(PdbxStructAssembly structAssembly) { - List re = new ArrayList<>(); - for (int rowIndex = 0; rowIndex < structAssembly.getRowCount(); rowIndex++) { - org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssembly pdbxStructAssembly = - new org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssembly(); - - pdbxStructAssembly.setDetails(structAssembly.getDetails().get(rowIndex)); - pdbxStructAssembly.setId(structAssembly.getId().get(rowIndex)); - pdbxStructAssembly.setMethod_details(structAssembly.getMethodDetails().get(rowIndex)); - pdbxStructAssembly.setOligomeric_count(structAssembly.getOligomericCount().getStringData(rowIndex)); - pdbxStructAssembly.setOligomeric_details(structAssembly.getOligomericDetails().get(rowIndex)); - - re.add(pdbxStructAssembly); - } - return re; - } - private void setCrystallographicInfoMetadata() { if (parsedScaleMatrix != null) { PDBCrystallographicInfo crystalInfo = structure.getCrystallographicInfo(); @@ -1610,32 +1533,7 @@ private static Chain removeSeqResHeterogeneity(Chain c) { private void addBonds() { BondMaker maker = new BondMaker(structure, params); maker.makeBonds(); - maker.formBondsFromStructConn(convert(structConn)); - } - - private List convert(StructConn structConn) { - return IntStream.range(0, structConn.getRowCount()) - .mapToObj(rowIndex -> { - org.biojava.nbio.structure.io.mmcif.model.StructConn sc = - new org.biojava.nbio.structure.io.mmcif.model.StructConn(); - - sc.setPdbx_ptnr1_PDB_ins_code(structConn.getPdbxPtnr1PDBInsCode().get(rowIndex)); - sc.setPdbx_ptnr2_PDB_ins_code(structConn.getPdbxPtnr2PDBInsCode().get(rowIndex)); - sc.setPtnr1_auth_seq_id(structConn.getPtnr1AuthSeqId().getStringData(rowIndex)); - sc.setPtnr2_auth_seq_id(structConn.getPtnr2AuthSeqId().getStringData(rowIndex)); - sc.setPtnr1_label_comp_id(structConn.getPtnr1LabelCompId().get(rowIndex)); - sc.setPtnr2_label_comp_id(structConn.getPtnr2LabelCompId().get(rowIndex)); - sc.setPtnr1_label_atom_id(structConn.getPtnr1LabelAtomId().get(rowIndex)); - sc.setPtnr2_label_atom_id(structConn.getPtnr2LabelAtomId().get(rowIndex)); - sc.setPdbx_ptnr1_label_alt_id(structConn.getPdbxPtnr1LabelAltId().get(rowIndex)); - sc.setPdbx_ptnr2_label_alt_id(structConn.getPdbxPtnr2LabelAltId().get(rowIndex)); - sc.setPtnr1_symmetry(structConn.getPtnr1Symmetry().get(rowIndex)); - sc.setPtnr2_symmetry(structConn.getPtnr2Symmetry().get(rowIndex)); - sc.setConn_type_id(structConn.getConnTypeId().get(rowIndex)); - - return sc; - }) - .collect(Collectors.toList()); + maker.formBondsFromStructConn(structConn); } private void alignSeqRes() { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureSupplierImpl.java new file mode 100644 index 0000000000..ef377ad52a --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureSupplierImpl.java @@ -0,0 +1,28 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.Structure; +import org.rcsb.cif.model.CifFile; + +import java.util.ArrayList; +import java.util.List; + +public class StructureSupplierImpl extends AbstractCifFileSupplier { + @Override + public CifFile get(Structure container) { + return getInternal(container, collectWrappedAtoms(container)); + } + + private List collectWrappedAtoms(Structure structure) { + List wrappedAtoms = new ArrayList<>(); + + for (int modelIndex = 0; modelIndex < structure.nrModels(); modelIndex++) { + final int model = modelIndex + 1; + for (Chain chain : structure.getChains(modelIndex)) { + handleChain(chain, model, wrappedAtoms); + } + } + + return wrappedAtoms; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/AllChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/AllChemCompProvider.java deleted file mode 100644 index b2b3222d58..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/AllChemCompProvider.java +++ /dev/null @@ -1,246 +0,0 @@ -/* - - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif; - -import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.io.LocalPDBDirectory; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; -import org.biojava.nbio.core.util.InputStreamProvider; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.io.*; -import java.net.URL; -import java.util.concurrent.atomic.AtomicBoolean; - -/** - * A ChemComp provider that downloads and caches the components.cif file from the wwPDB site. It then loads - * all chemical components at startup and keeps them in memory. This provider is not used as a default - * since it is slower at startup and requires more memory than the {@link DownloadChemCompProvider} that is used by default. - * - * @author Andreas Prlic - * - */ -public class AllChemCompProvider implements ChemCompProvider, Runnable{ - - private static final Logger logger = LoggerFactory.getLogger(AllChemCompProvider.class); - - public static final String COMPONENTS_FILE_LOCATION = "pub/pdb/data/monomers/components.cif.gz"; - - - private static String path; - - private static String serverName; - - - // there will be only one copy of the dictionary across all instances - // to reduce memory impact - static ChemicalComponentDictionary dict; - - // flags to make sure there is only one thread running that is loading the dictionary - static AtomicBoolean loading = new AtomicBoolean(false); - static AtomicBoolean isInitialized = new AtomicBoolean(false); - - public AllChemCompProvider(){ - - if ( loading.get()) { - logger.warn("other thread is already loading all chemcomps, no need to init twice"); - return; - } - if ( isInitialized.get()) - return; - - loading.set(true); - - Thread t = new Thread(this); - t.start(); - - } - - - /** make sure all paths are initialized correctly - * - */ - private static void initPath(){ - - if (path==null) { - UserConfiguration config = new UserConfiguration(); - path = config.getCacheFilePath(); - } - } - - private static void initServerName() { - - if (serverName==null) { - serverName = LocalPDBDirectory.getServerName(); - } - } - - private void ensureFileExists() { - - - String fileName = getLocalFileName(); - File f = new File(fileName); - - if ( ! f.exists()) { - try { - downloadFile(); - } catch (IOException e) { - logger.error("Caught IOException",e); - } - } - - - - } - - /** Downloads the components.cif.gz file from the wwPDB site. - * - */ - public static void downloadFile() throws IOException { - - initPath(); - - initServerName(); - - String localName = getLocalFileName(); - - String u = serverName + "/" + COMPONENTS_FILE_LOCATION; - - downloadFileFromRemote(new URL(u), new File(localName)); - - - } - - - private static void downloadFileFromRemote(URL remoteURL, File localFile) throws FileNotFoundException, IOException{ - logger.info("Downloading " + remoteURL + " to: " + localFile); - FileOutputStream out = new FileOutputStream(localFile); - - InputStream in = remoteURL.openStream(); - byte[] buf = new byte[4 * 1024]; // 4K buffer - int bytesRead; - while ((bytesRead = in.read(buf)) != -1) { - out.write(buf, 0, bytesRead); - } - in.close(); - out.close(); - - - } - - - private static String getLocalFileName(){ - - File dir = new File(path, DownloadChemCompProvider.CHEM_COMP_CACHE_DIRECTORY); - - if (! dir.exists()){ - logger.info("Creating directory {}", dir.toString()); - dir.mkdir(); - } - - String fileName = new File(dir, "components.cif.gz").toString(); - - return fileName; - } - - /** Load all {@link ChemComp} definitions into memory. - * - */ - private void loadAllChemComps() throws IOException { - String fileName = getLocalFileName(); - logger.debug("Loading " + fileName); - InputStreamProvider isp = new InputStreamProvider(); - - - InputStream inStream = isp.getInputStream(fileName); - - MMcifParser parser = new SimpleMMcifParser(); - - ChemCompConsumer consumer = new ChemCompConsumer(); - - // The Consumer builds up the BioJava - structure object. - // you could also hook in your own and build up you own data model. - parser.addMMcifConsumer(consumer); - - parser.parse(new BufferedReader(new InputStreamReader(inStream))); - - dict = consumer.getDictionary(); - - inStream.close(); - - } - - - /** {@inheritDoc} - * - */ - @Override - public ChemComp getChemComp(String recordName) { - - while ( loading.get()) { - - // another thread is still initializing the definitions - try { - // wait half a second - - Thread.sleep(500); - } catch (InterruptedException e) { - logger.error("Interrepted thread while waiting: "+e.getMessage()); - //e.printStackTrace(); - } - } - - - - return dict.getChemComp(recordName); - } - - - /** Do the actual loading of the dictionary in a thread. - * - */ - @Override - public void run() { - long timeS = System.currentTimeMillis(); - - initPath(); - - ensureFileExists(); - - try { - loadAllChemComps(); - - long timeE = System.currentTimeMillis(); - logger.debug("Time to init chem comp dictionary: " + (timeE - timeS) / 1000 + " sec."); - - - } catch (IOException e) { - logger.error("Could not load chemical components definition file {}. Error: {}", getLocalFileName(), e.getMessage()); - - } finally { - loading.set(false); - isInitialized.set(true); - } - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompConsumer.java deleted file mode 100644 index f2d043a5b9..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompConsumer.java +++ /dev/null @@ -1,327 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif; - -import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.mmcif.chem.ResidueType; -import org.biojava.nbio.structure.io.mmcif.model.*; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.util.List; - -public class ChemCompConsumer implements MMcifConsumer { - - private static final Logger logger = LoggerFactory.getLogger(ChemCompConsumer.class); - - ChemicalComponentDictionary dictionary; - - String latestChemCompId; - public ChemCompConsumer(){ - dictionary = new ChemicalComponentDictionary(); - } - - @Override - public void documentStart() { - - - } - - public ChemicalComponentDictionary getDictionary(){ - return dictionary; - } - - @Override - public void newChemComp(ChemComp c) { - - if ( c.getId() == null) - logger.warn("chem comp ID == null " + c); - - latestChemCompId = c.getId(); - dictionary.addChemComp(c); - if ( c.getResidueType() == ResidueType.nonPolymer) - return; - - if ( c.getResidueType() == ResidueType.saccharide) - return; - - if ( c.getResidueType() == ResidueType.dSaccharide) - return; - - //if ( c.isStandard()) - // System.out.println(c); - } - - @Override - public void documentEnd() { - - - } - - @Override - public void newAtomSite(AtomSite atom) { - - - } - - @Override - public void newDatabasePDBremark(DatabasePDBremark remark) { - - - } - - @Override - public void newDatabasePDBrev(DatabasePDBrev dbrev) { - - - } - - @Override - public void newDatabasePDBrevRecord(DatabasePdbrevRecord dbrev) { - - } - - @Override - public void newEntity(Entity entity) { - - - } - - @Override - public void newEntityPolySeq(EntityPolySeq epolseq) { - - - } - - @Override - public void newExptl(Exptl exptl) { - - - } - - @Override - public void newCell(Cell cell) { - - } - - @Override - public void newSymmetry(Symmetry symmetry) { - - } - - @Override - public void newStructNcsOper(StructNcsOper sNcsOper) { - - } - - @Override - public void newAtomSites(AtomSites atomSites) { - - } - - @Override - public void newPdbxEntityNonPoly(PdbxEntityNonPoly pen) { - - - } - - @Override - public void newPdbxNonPolyScheme(PdbxNonPolyScheme ppss) { - - - } - - @Override - public void newPdbxPolySeqScheme(PdbxPolySeqScheme ppss) { - - - } - - @Override - public void newRefine(Refine r) { - - - } - - @Override - public void newStructAsym(StructAsym sasym) { - - - } - - @Override - public void newStructKeywords(StructKeywords kw) { - - - } - - @Override - public void newStructRef(StructRef sref) { - - - } - - @Override - public void newStructRefSeq(StructRefSeq sref) { - - - } - - @Override - public void newStructRefSeqDif(StructRefSeqDif sref) { - - - } - - @Override - public void setStruct(Struct struct) { - - - } - - @Override - public void newGenericData(String category, List loopFields, - List lineData) { - //System.out.println("unhandled category: " + category); - - } - - - @Override - public void newAuditAuthor(AuditAuthor aa) - { - - - } - - @Override - public FileParsingParameters getFileParsingParameters() - { - // can be ingored in this case... - return null; - } - - @Override - public void setFileParsingParameters(FileParsingParameters params) - { - - - } - - @Override - public void newChemCompDescriptor(ChemCompDescriptor ccd) { - ChemComp cc = dictionary.getChemComp(latestChemCompId); - cc.getDescriptors().add(ccd); - - } - - @Override - public void newPdbxStructOperList(PdbxStructOperList structOper) { - - - } - - @Override - public void newPdbxStrucAssembly(PdbxStructAssembly strucAssembly) { - - - } - - @Override - public void newPdbxStrucAssemblyGen(PdbxStructAssemblyGen strucAssembly) { - - - } - - @Override - public void newChemCompAtom(ChemCompAtom atom) { - dictionary.getChemComp(latestChemCompId).getAtoms().add(atom); - } - - @Override - public void newPdbxChemCompIndentifier(PdbxChemCompIdentifier id) { - - - } - - @Override - public void newChemCompBond(ChemCompBond bond) { - dictionary.getChemComp(latestChemCompId).getBonds().add(bond); - } - - @Override - public void newPdbxChemCompDescriptor(PdbxChemCompDescriptor desc) { - - - } - - @Override - public void newEntitySrcGen(EntitySrcGen entitySrcGen) { - - - } - @Override - public void newEntitySrcNat(EntitySrcNat entitySrcNat) { - - - } - - @Override - public void newEntitySrcSyn(EntitySrcSyn entitySrcSyn) { - - - } - - @Override - public void newStructConn(StructConn structConn) { - - - } - - @Override - public void newStructSiteGen(StructSiteGen gen) { - - } - - @Override - public void newStructSite(StructSite site) { - - } - - @Override - public void newEntityPoly(EntityPoly entityPoly) { - - - } - - @Override - public void newPdbxAuditRevisionHistory(PdbxAuditRevisionHistory history) { - // TODO Auto-generated method stub - - } - - @Override - public void newPdbxDatabaseStatus(PdbxDatabaseStatus status) { - // TODO Auto-generated method stub - - } -} - diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompGroupFactory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompGroupFactory.java deleted file mode 100644 index 87f6408e86..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompGroupFactory.java +++ /dev/null @@ -1,168 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on May 23, 2010 - * - */ -package org.biojava.nbio.structure.io.mmcif; - -import org.biojava.nbio.core.util.SoftHashMap; -import org.biojava.nbio.structure.AminoAcid; -import org.biojava.nbio.structure.AminoAcidImpl; -import org.biojava.nbio.structure.Group; -import org.biojava.nbio.structure.HetatomImpl; -import org.biojava.nbio.structure.NucleotideImpl; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - - -public class ChemCompGroupFactory { - - private static final Logger logger = LoggerFactory.getLogger(ChemCompGroupFactory.class); - - private static ChemCompProvider chemCompProvider = new DownloadChemCompProvider(); - - private static SoftHashMap cache = new SoftHashMap(0); - - public static ChemComp getChemComp(String recordName){ - - recordName = recordName.toUpperCase().trim(); - - // we are using the cache, to avoid hitting the file system too often. - ChemComp cc = cache.get(recordName); - if ( cc != null) { - logger.debug("Chem comp "+cc.getThree_letter_code()+" read from cache"); - return cc; - } - - // not cached, get the chem comp from the provider - logger.debug("Chem comp "+recordName+" read from provider "+chemCompProvider.getClass().getCanonicalName()); - cc = chemCompProvider.getChemComp(recordName); - - // Note that this also caches null or empty responses - cache.put(recordName, cc); - return cc; - } - - /** - * The new ChemCompProvider will be set in the static variable, - * so this provider will be used from now on until it is changed - * again. Note that this change can have unexpected behavior of - * code executed afterwards. - *

      - * Changing the provider also resets the cache, so any groups - * previously accessed will be reread or re-downloaded. - * - * @param provider - */ - public static void setChemCompProvider(ChemCompProvider provider) { - logger.debug("Setting new chem comp provider to "+provider.getClass().getCanonicalName()); - chemCompProvider = provider; - // clear cache - cache.clear(); - } - - public static ChemCompProvider getChemCompProvider(){ - return chemCompProvider; - } - - /** - * Force the in-memory cache to be reset. - * - * Note that the ChemCompProvider may have additional memory or disk caches that need to be cleared too. - */ - public static void clearCache() { - cache.clear(); - } - - public static Group getGroupFromChemCompDictionary(String recordName) { - - // make sure we work with upper case records - recordName = recordName.toUpperCase().trim(); - - Group g = null; - - - ChemComp cc = getChemComp(recordName); - - if ( cc == null) - return null; - - if ( PolymerType.PROTEIN_ONLY.contains( cc.getPolymerType() ) ){ - AminoAcid aa = new AminoAcidImpl(); - - String one_letter = cc.getOne_letter_code(); - if ( one_letter == null || one_letter.equals("X") || one_letter.equals("?") || one_letter.length()==0){ - String parent = cc.getMon_nstd_parent_comp_id(); - if ( parent != null && parent.length() == 3){ - String parentid = cc.getMon_nstd_parent_comp_id() ; - ChemComp parentCC = getChemComp(parentid); - one_letter = parentCC.getOne_letter_code(); - } - } - - if ( one_letter == null || one_letter.length()==0 || one_letter.equals("?")) { - // e.g. problem with PRR, which probably should have a parent of ALA, but as of 20110127 does not. - logger.warn("Problem with chemical component: " + recordName + " Did not find one letter code! Setting it to 'X'"); - aa.setAminoType('X'); - - } else { - aa.setAminoType(one_letter.charAt(0)); - } - - - g = aa; - } else if ( PolymerType.POLYNUCLEOTIDE_ONLY.contains(cc.getPolymerType())) { - NucleotideImpl nuc = new NucleotideImpl(); - - g = nuc; - - - } else { - - g = new HetatomImpl(); - } - - g.setChemComp(cc); - - - return g; - } - - - public static String getOneLetterCode(ChemComp cc){ - String oneLetter = cc.getOne_letter_code(); - if ( oneLetter == null || oneLetter.equals("X") || oneLetter.equals("?")) { - String parentId = cc.getMon_nstd_parent_comp_id() ; - if ( parentId == null) - return oneLetter; - // cases like OIM have multiple parents (comma separated), we shouldn't try grab a chemcomp for those strings - if (parentId.length()>3) - return oneLetter; - ChemComp parentCC = ChemCompGroupFactory.getChemComp(parentId); - if ( parentCC == null) - return oneLetter; - oneLetter = parentCC.getOne_letter_code(); - } - return oneLetter; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompProvider.java deleted file mode 100644 index a31affeaae..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemCompProvider.java +++ /dev/null @@ -1,39 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif; - -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; - -/** Interface that is implemented by all classes that can provide {@link ChemComp} definitions. - * - * @author Andreas Prlic - * @since 3.0 - */ -public interface ChemCompProvider { - - /** Returns a new instance of a chemical component definition. - * - * @param recordName the ID of the {@link ChemComp} - * @return a new {@link ChemComp} definition. - */ - ChemComp getChemComp(String recordName) ; - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemicalComponentDictionary.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemicalComponentDictionary.java deleted file mode 100644 index 19c97f9aed..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ChemicalComponentDictionary.java +++ /dev/null @@ -1,143 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * - */ - -package org.biojava.nbio.structure.io.mmcif; - -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; - -import java.util.HashMap; -import java.util.Map; - -/** A representation of the Chemical Component Dictionary. - * - * @author Andreas Prlic - * @since 1.7 - * @see link into mmCIF dictionary - * - */ -public class ChemicalComponentDictionary { - - private Map dictionary; - private Map replaces; - private Map isreplacedby; - - public ChemicalComponentDictionary(){ - dictionary = new HashMap(); - replaces = new HashMap(); - isreplacedby = new HashMap(); - } - - public boolean isReplaced(ChemComp c){ - return isReplaced(c.getId()); - - } - public boolean isReplaced(String id){ - if ( isreplacedby.containsKey(id)) - return true; - return false; - } - public boolean isReplacer(ChemComp c){ - return isReplacer(c.getId()); - } - public boolean isReplacer(String id){ - if ( replaces.containsKey(id) ) - return true; - return false; - } - - /** if ChemComp is replaced by another one, get the newer version - * otherwise return the same ChemComp again. - * @param c - * @return get the component that replaced ChemComp. - */ - public ChemComp getReplacer(ChemComp c){ - return getReplacer(c.getId()); - } - public ChemComp getReplacer(String id){ - if (isReplaced(id)){ - return dictionary.get(isreplacedby.get(id)); - } - return dictionary.get(id); - } - - /** if ChemComp is replacing another one, get the old version - * otherwise return the same ChemComp again. - * @param c the ChemComp for which older versions should be looked up. - */ - - public ChemComp getReplaced(ChemComp c){ - return getReplaced(c.getId()); - } - public ChemComp getReplaced(String id){ - if (isReplacer(id)){ - return dictionary.get(replaces.get(id)); - } - return dictionary.get(id); - } - - /** Get the parent of a component. If component has no parent, return null - * - * @param c - * @return get the parent component or null if ChemComp has no parent. - */ - public ChemComp getParent(ChemComp c){ - - if (c.hasParent()){ - return dictionary.get(c.getMon_nstd_parent_comp_id()); - } - return null; - } - - - - /** add a new component to the dictionary - * - * @param comp - */ - public void addChemComp(ChemComp comp){ - - dictionary.put(comp.getId(),comp); - String rep = comp.getPdbx_replaces(); - if ( (rep != null) && ( ! rep.equals("?"))){ - replaces.put(comp.getId(),rep); - } - - String isrep = comp.getPdbx_replaced_by(); - if ( (isrep != null) && ( ! isrep.equals("?"))){ - isreplacedby.put(comp.getId(),isrep); - } - } - - /** Returns the number of ChemComps in this dictionary - * - * @return nr. of ChemComps - */ - public int size(){ - - return dictionary.size(); - - } - - public ChemComp getChemComp(String id){ - return dictionary.get(id); - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/DownloadChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/DownloadChemCompProvider.java deleted file mode 100644 index 86355e40b6..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/DownloadChemCompProvider.java +++ /dev/null @@ -1,507 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif; - -import java.io.BufferedReader; -import java.io.File; -import java.io.FileOutputStream; -import java.io.FilenameFilter; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; -import java.io.PrintWriter; -import java.io.StringWriter; -import java.net.URL; -import java.net.URLConnection; -import java.nio.file.Files; -import java.nio.file.Paths; -import java.nio.file.StandardCopyOption; -import java.util.ArrayList; -import java.util.List; -import java.util.concurrent.atomic.AtomicBoolean; -import java.util.zip.GZIPOutputStream; - -import org.biojava.nbio.core.util.InputStreamProvider; -import org.biojava.nbio.structure.align.util.URLConnectionTools; -import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.io.LocalPDBDirectory; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - - - -/** - * This provider of chemical components can download and cache chemical component definition files from the RCSB PDB web site. - * It is the default way to access these definitions. - * If this provider is called he first time, it will download and install all chemical - * component definitions in a local directory. - * Once the definition files have been installed, it has quick startup time and low memory requirements. - * - * An alternative provider, that keeps all definitions in memory is the {@link AllChemCompProvider}. Another provider, that - * does not require any network access, but only can support a limited set of chemical component definitions, is the {@link ReducedChemCompProvider}. - * - * - * @author Andreas Prlic - * - */ -public class DownloadChemCompProvider implements ChemCompProvider { - - private static final Logger logger = LoggerFactory.getLogger(DownloadChemCompProvider.class); - - public static final String CHEM_COMP_CACHE_DIRECTORY = "chemcomp"; - - public static final String DEFAULT_SERVER_URL = "http://files.rcsb.org/ligands/download/"; - - public static String serverBaseUrl = DEFAULT_SERVER_URL; - - /** - * Use default RCSB server layout (true) or internal RCSB server layout (false) - */ - public static boolean useDefaultUrlLayout = true; - - - private static File path; - //private static final String FILE_SEPARATOR = System.getProperty("file.separator"); - private static final String NEWLINE = System.getProperty("line.separator"); - - - // flags to make sure there is only one thread running that is loading the dictionary - static AtomicBoolean loading = new AtomicBoolean(false); - - static final List protectedIDs = new ArrayList (); - static { - protectedIDs.add("CON"); - protectedIDs.add("PRN"); - protectedIDs.add("AUX"); - protectedIDs.add("NUL"); - } - - private static ChemCompProvider fallback = null; // Fallback provider if the download fails - - /** by default we will download only some of the files. User has to request that all files should be downloaded... - * - */ - boolean downloadAll = false; - - public DownloadChemCompProvider(){ - this(null); - } - - public DownloadChemCompProvider(String cacheFilePath){ - logger.debug("Initialising DownloadChemCompProvider"); - - // note that path is static, so this is just to make sure that all non-static methods will have path initialised - if(cacheFilePath != null) { - path = new File(cacheFilePath); - } - } - - /** - * Get this provider's cache path - * @return - */ - public static File getPath(){ - if (path==null) { - UserConfiguration config = new UserConfiguration(); - path = new File(config.getCacheFilePath()); - } - return path; - } - - /** - * Checks if the chemical components already have been installed into the PDB directory. - * If not, will download the chemical components definitions file and split it up into small - * subfiles. - */ - public void checkDoFirstInstall(){ - - if ( ! downloadAll ) { - return; - } - - - // this makes sure there is a file separator between every component, - // if path has a trailing file separator or not, it will work for both cases - File dir = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); - File f = new File(dir, "components.cif.gz"); - - if ( ! f.exists()) { - - downloadAllDefinitions(); - - } else { - // file exists.. did it get extracted? - - FilenameFilter filter =new FilenameFilter() { - - @Override - public boolean accept(File dir, String file) { - return file.endsWith(".cif.gz"); - } - }; - String[] files = dir.list(filter); - if ( files.length < 500) { - // not all did get unpacked - try { - split(); - } catch (IOException e) { - logger.error("Could not split file {} into individual chemical component files. Error: {}", - f.toString(), e.getMessage()); - } - } - } - } - - private void split() throws IOException { - - logger.info("Installing individual chem comp files ..."); - - File dir = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); - File f = new File(dir, "components.cif.gz"); - - - int counter = 0; - InputStreamProvider prov = new InputStreamProvider(); - - try( BufferedReader buf = new BufferedReader (new InputStreamReader (prov.getInputStream(f))); - ) { - String line = null; - line = buf.readLine (); - StringWriter writer = new StringWriter(); - - String currentID = null; - while (line != null){ - - if ( line.startsWith("data_")) { - // a new record found! - - if ( currentID != null) { - writeID(writer.toString(), currentID); - counter++; - } - - currentID = line.substring(5); - writer = new StringWriter(); - } - - writer.append(line); - writer.append(NEWLINE); - - line = buf.readLine (); - } - - // write the last record... - writeID(writer.toString(),currentID); - counter++; - - } - - logger.info("Created " + counter + " chemical component files."); - } - - /** - * Output chemical contents to a file - * @param contents File contents - * @param currentID Chemical ID, used to determine the filename - * @throws IOException - */ - private void writeID(String contents, String currentID) throws IOException{ - - String localName = getLocalFileName(currentID); - - try ( PrintWriter pw = new PrintWriter(new GZIPOutputStream(new FileOutputStream(localName))) ) { - - pw.print(contents); - pw.flush(); - } - } - - /** - * Loads the definitions for this {@link ChemComp} from a local file and instantiates a new object. - * - * @param recordName the ID of the {@link ChemComp} - * @return a new {@link ChemComp} definition. - */ - @Override - public ChemComp getChemComp(String recordName) { - - // make sure we work with upper case records - recordName = recordName.toUpperCase().trim(); - - boolean haveFile = true; - if ( recordName.equals("?")){ - return null; - } - - if ( ! fileExists(recordName)) { - // check if we should install all components - checkDoFirstInstall(); - } - if ( ! fileExists(recordName)) { - // we previously have installed already the definitions, - // just do an incrememntal update - haveFile = downloadChemCompRecord(recordName); - } - - // Added check that download was successful and chemical component is available. - if (haveFile) { - String filename = getLocalFileName(recordName); - InputStream inStream = null; - try { - - InputStreamProvider isp = new InputStreamProvider(); - - inStream = isp.getInputStream(filename); - - MMcifParser parser = new SimpleMMcifParser(); - - ChemCompConsumer consumer = new ChemCompConsumer(); - - // The Consumer builds up the BioJava - structure object. - // you could also hook in your own and build up you own data model. - parser.addMMcifConsumer(consumer); - - parser.parse(new BufferedReader(new InputStreamReader(inStream))); - - ChemicalComponentDictionary dict = consumer.getDictionary(); - - ChemComp chemComp = dict.getChemComp(recordName); - - // May be null if the file was corrupt. Fall back on ReducedChemCompProvider in that case - if(chemComp != null) { - return chemComp; - } - - } catch (IOException e) { - - logger.warn( - "Could not download chemical component file {} for {}. Error: {}. Now trying to use the local chemical component definitions.", - filename, recordName, e.getMessage()); - - } - finally{ - // Now close it - if(inStream!=null){ - try { - inStream.close(); - } catch (IOException e) { - // This would be weird... - logger.error("Could not close chemical component file {}. A resource leak could occur!!", filename); - } - } - - } - } - - // see https://github.com/biojava/biojava/issues/315 - // probably a network error happened. Try to use the ReducedChemCOmpProvider - if( fallback == null) { - fallback = new ReducedChemCompProvider(); - } - - logger.warn("Falling back to ReducedChemCompProvider for {}. This could indicate a network error.", recordName); - return fallback.getChemComp(recordName); - - } - - /** - * Returns the file name that contains the definition for this {@link ChemComp} - * - * @param recordName the ID of the {@link ChemComp} - * @return full path to the file - */ - public static String getLocalFileName(String recordName){ - - if ( protectedIDs.contains(recordName)){ - recordName = "_" + recordName; - } - - File f = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); - if (! f.exists()){ - logger.info("Creating directory " + f); - - boolean success = f.mkdir(); - // we've checked in initPath that path is writable, so there's no need to check if it succeeds - // in the unlikely case that in the meantime it isn't writable at least we log an error - if (!success) - logger.error("Directory {} could not be created",f); - - } - - File theFile = new File(f,recordName + ".cif.gz"); - - return theFile.toString(); - } - - private static boolean fileExists(String recordName){ - - String fileName = getLocalFileName(recordName); - - File f = new File(fileName); - - // delete files that are too short to have contents - if( f.length() < LocalPDBDirectory.MIN_PDB_FILE_SIZE ) { - // Delete defensively. - // Note that if delete is unsuccessful, we re-download the file anyways - f.delete(); - return false; - } - - return f.exists(); - - } - - /** - * @param recordName : three-letter name - * @return true if successful download - */ - private static boolean downloadChemCompRecord(String recordName) { - - String localName = getLocalFileName(recordName); - File newFile; - try{ - newFile = File.createTempFile("chemcomp"+recordName, "cif"); - logger.debug("Will write chem comp file to temp file {}", newFile.toString()); - } - catch(IOException e){ - logger.error("Could not write to temp directory {} to create the chemical component download temp file", System.getProperty("java.io.tmpdir")); - return false; - } - String u; - if(useDefaultUrlLayout){ - u = serverBaseUrl + recordName + ".cif"; - } - else{ - u = serverBaseUrl + recordName.charAt(0) + "/" + recordName +"/" + recordName + ".cif"; - } - - logger.debug("downloading " + u); - - URL url = null; - - - try { - url = new URL(u); - URLConnection uconn = URLConnectionTools.openURLConnection(url); - - try( PrintWriter pw = new PrintWriter(new GZIPOutputStream(new FileOutputStream(newFile))); - BufferedReader fileBuffer = new BufferedReader(new InputStreamReader(uconn.getInputStream())); - ) { - - String line; - - while ((line = fileBuffer.readLine()) != null) { - pw.println(line); - } - - pw.flush(); - } - // Now we move this across to where it actually wants to be - Files.move(newFile.toPath(), Paths.get(localName), StandardCopyOption.REPLACE_EXISTING); - - return true; - } catch (IOException e){ - logger.error("Could not download "+url.toString()+" OR store locally to "+localName+" Error ="+e.getMessage()); - newFile.delete(); - } - return false; - } - - private void downloadAllDefinitions() { - - if ( loading.get()){ - logger.info("Waiting for other thread to install chemical components..."); - } - - while ( loading.get() ) { - - // another thread is already downloading the components definitions - // wait for the other thread to finish... - - try { - // wait half a second - - Thread.sleep(500); - } catch (InterruptedException e) { - //e.printStackTrace(); - logger.error("Thread interrupted "+e.getMessage()); - } - - logger.info("Another thread installed the chemical components."); - return; - - } - - loading.set(true); - long timeS = System.currentTimeMillis(); - - logger.info("Performing first installation of chemical components."); - logger.info("Downloading components.cif.gz ..."); - - - try { - AllChemCompProvider.downloadFile(); - } catch (IOException e){ - logger.error("Could not download the all chemical components file. Error: {}. " - + "Chemical components information won't be available", e.getMessage()); - // no point in trying to split if the file could not be downloaded - loading.set(false); - return; - } - try { - split(); - } catch (IOException e) { - logger.error("Could not split all chem comp file into individual chemical component files. Error: {}", - e.getMessage()); - // no point in reporting time - loading.set(false); - return; - } - long timeE = System.currentTimeMillis(); - logger.info("time to install chem comp dictionary: " + (timeE - timeS) / 1000 + " sec."); - loading.set(false); - - } - - /** By default this provider will download only some of the {@link ChemComp} files. - * The user has to request that all files should be downloaded by setting this parameter to true. - * - * @return flag if the all components should be downloaded and installed at startup. (default: false) - */ - public boolean isDownloadAll() { - return downloadAll; - } - - /** By default this provider will download only some of the {@link ChemComp} files. - * The user has to request that all files should be downloaded by setting this parameter to true. - * - * @param flag if the all components should be downloaded and installed at startup. (default: false) - */ - public void setDownloadAll(boolean downloadAll) { - this.downloadAll = downloadAll; - } - - - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMCIFFileTools.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMCIFFileTools.java deleted file mode 100644 index 14fdac7d3e..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMCIFFileTools.java +++ /dev/null @@ -1,575 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif; - - -import java.lang.reflect.Field; -import java.util.*; - -import org.biojava.nbio.structure.Atom; -import org.biojava.nbio.structure.Chain; -import org.biojava.nbio.structure.Element; -import org.biojava.nbio.structure.EntityType; -import org.biojava.nbio.structure.Group; -import org.biojava.nbio.structure.GroupType; -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.io.FileConvert; -import org.biojava.nbio.structure.io.mmcif.model.AbstractBean; -import org.biojava.nbio.structure.io.mmcif.model.AtomSite; -import org.biojava.nbio.structure.io.mmcif.model.CIFLabel; -import org.biojava.nbio.structure.io.mmcif.model.Cell; -import org.biojava.nbio.structure.io.mmcif.model.IgnoreField; -import org.biojava.nbio.structure.io.mmcif.model.Symmetry; -import org.biojava.nbio.structure.xtal.CrystalCell; -import org.biojava.nbio.structure.xtal.SpaceGroup; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -/** - * Some tools for mmCIF file writing. - * - * See http://www.iucr.org/__data/assets/pdf_file/0019/22618/cifguide.pdf - * - * CIF categories are represented as a simple bean, typically extending {@link AbstractBean}. - * By default, all fields from the bean are taken as the CIF labels. Fields - * may be omitted by annotating them as {@link IgnoreField @IgnoreField}. - * The CIF label for a field may be changed (for instance, for fields that - * are not valid Java identifiers) by defining a function - * static Map getCIFLabelMap() - * mapping from the field's name to the correct label. - * - * @author Jose Duarte - * @author Spencer Bliven - */ -public class MMCIFFileTools { - - private static final Logger logger = LoggerFactory.getLogger(MMCIFFileTools.class); - - private static final String newline = System.getProperty("line.separator"); - - /** - * The character to be printed out in cases where a value is not assigned in mmCIF files - */ - public static final String MMCIF_MISSING_VALUE = "?"; - - /** - * The character to be printed out as a default value in mmCIF files, e.g. for the default alt_locs - */ - public static final String MMCIF_DEFAULT_VALUE = "."; - - - /** - * Produces a mmCIF loop header string for the given categoryName and className. - * className must be one of the beans in the {@link org.biojava.nbio.structure.io.mmcif.model} package - * @param categoryName - * @param className - * @return - * @throws ClassNotFoundException if the given className can not be found - */ - public static String toLoopMmCifHeaderString(String categoryName, String className) throws ClassNotFoundException { - StringBuilder str = new StringBuilder(); - - str.append(SimpleMMcifParser.LOOP_START+newline); - - Class c = Class.forName(className); - - for (Field f : getFields(c)) { - str.append(categoryName+"."+f.getName()+newline); - } - - return str.toString(); - } - - /** - * Converts a mmCIF bean (see {@link org.biojava.nbio.structure.io.mmcif.model} to - * a String representing it in mmCIF (single-record) format. - * @param categoryName - * @param o - * @return - */ - public static String toMMCIF(String categoryName, Object o) { - - StringBuilder sb = new StringBuilder(); - - Class c = o.getClass(); - - - Field[] fields = getFields(c); - String[] names = getFieldNames(fields); - - int maxFieldNameLength = getMaxStringLength(names); - - for (int i=0;i c) { - Field[] allFields = c.getDeclaredFields(); - Field[] fields = new Field[allFields.length]; - int n = 0; - for(Field f : allFields) { - f.setAccessible(true); - IgnoreField anno = f.getAnnotation(IgnoreField.class); - if(anno == null) { - fields[n] = f; - n++; - } - } - return Arrays.copyOf(fields, n); - } - - /** - * Gets the mmCIF record name for each field. This is generally just - * the name of the field or the value specified by the {@link CIFLabel @CIFLabel} annotation. - * - * As a side effect, calls {@link Field#setAccessible(boolean) setAccessible(true)} - * on all fields. - * @param fields - * @return - */ - public static String[] getFieldNames(Field[] fields) { - String[] names = new String[fields.length]; - for(int i=0;i String toMMCIF(List list, Class klass) { - if (list.isEmpty()) throw new IllegalArgumentException("List of beans is empty!"); - - Field[] fields = getFields(klass); - int[] sizes = getFieldSizes(list,fields); - - StringBuilder sb = new StringBuilder(); - - for (T o:list) { - sb.append(toSingleLoopLineMmCifString(o, fields, sizes)); - } - - sb.append(SimpleMMcifParser.COMMENT_CHAR+newline); - - return sb.toString(); - } - - /** - * Given a mmCIF bean produces a String representing it in mmCIF loop format as a single record line - * @param record - * @param fields Set of fields for the record. If null, will be calculated from the class of the record - * @param sizes the size of each of the fields - * @return - */ - private static String toSingleLoopLineMmCifString(Object record, Field[] fields, int[] sizes) { - - StringBuilder str = new StringBuilder(); - - Class c = record.getClass(); - - if(fields == null) - fields = getFields(c); - - if (sizes.length!=fields.length) - throw new IllegalArgumentException("The given sizes of fields differ from the number of declared fields"); - - int i = -1; - for (Field f : fields) { - i++; - f.setAccessible(true); - - try { - Object obj = f.get(record); - String val; - if (obj==null) { - logger.debug("Field {} is null, will write it out as {}",f.getName(),MMCIF_MISSING_VALUE); - val = MMCIF_MISSING_VALUE; - } else { - val = (String) obj; - } - - str.append(String.format("%-"+sizes[i]+"s ", addMmCifQuoting(val))); - - - } catch (IllegalAccessException e) { - logger.warn("Field {} is inaccessible", f.getName()); - continue; - } catch (ClassCastException e) { - logger.warn("Could not cast value to String for field {}",f.getName()); - continue; - } - } - - str.append(newline); - - return str.toString(); - - } - - /** - * Adds quoting to a String according to the STAR format (mmCIF) rules - * @param val - * @return - */ - private static String addMmCifQuoting(String val) { - String newval; - - if (val.contains("'")) { - // double quoting for strings containing single quotes (not strictly necessary but it's what the PDB usually does) - newval = "\""+val+"\""; - } else if (val.contains(" ")) { - // single quoting for stings containing spaces - newval = "'"+val+"'"; - } else { - if (val.contains(" ") && val.contains("'")) { - // TODO deal with this case - logger.warn("Value contains both spaces and single quotes, won't format it: {}. CIF ouptut will likely be invalid.",val); - } - newval = val; - } - // TODO deal with all the other cases: e.g. multi-line quoting with ;; - - return newval; - } - - /** - * Converts a SpaceGroup object to a {@link Symmetry} object. - * @param sg - * @return - */ - public static Symmetry convertSpaceGroupToSymmetry(SpaceGroup sg) { - Symmetry sym = new Symmetry(); - sym.setSpace_group_name_H_M(sg.getShortSymbol()); - // TODO do we need to fill any of the other values? - return sym; - } - - /** - * Converts a CrystalCell object to a {@link Cell} object. - * @param c - * @return - */ - public static Cell convertCrystalCellToCell(CrystalCell c) { - Cell cell = new Cell(); - cell.setLength_a(String.format("%.3f",c.getA())); - cell.setLength_b(String.format("%.3f",c.getB())); - cell.setLength_c(String.format("%.3f",c.getC())); - cell.setAngle_alpha(String.format("%.3f",c.getAlpha())); - cell.setAngle_beta(String.format("%.3f",c.getBeta())); - cell.setAngle_gamma(String.format("%.3f",c.getGamma())); - - return cell; - } - - /** - * Converts an Atom object to an {@link AtomSite} object. - * @param a - * @param model the model number for the output AtomSites - * @param chainName the chain identifier (author id) for the output AtomSites - * @param chainId the internal chain identifier (asym id) for the output AtomSites - * @return - */ - public static AtomSite convertAtomToAtomSite(Atom a, int model, String chainName, String chainId) { - return convertAtomToAtomSite(a, model, chainName, chainId, a.getPDBserial()); - } - - /** - * Converts an Atom object to an {@link AtomSite} object. - * @param a the atom - * @param model the model number for the output AtomSites - * @param chainName the chain identifier (author id) for the output AtomSites - * @param chainId the internal chain identifier (asym id) for the output AtomSites - * @param atomId the atom id to be written to AtomSite - * @return - */ - public static AtomSite convertAtomToAtomSite(Atom a, int model, String chainName, String chainId, int atomId) { - - /* - ATOM 7 C CD . GLU A 1 24 ? -10.109 15.374 38.853 1.00 50.05 ? ? ? ? ? ? 24 GLU A CD 1 - ATOM 8 O OE1 . GLU A 1 24 ? -9.659 14.764 37.849 1.00 49.80 ? ? ? ? ? ? 24 GLU A OE1 1 - ATOM 9 O OE2 . GLU A 1 24 ? -11.259 15.171 39.310 1.00 50.51 ? ? ? ? ? ? 24 GLU A OE2 1 - ATOM 10 N N . LEU A 1 25 ? -5.907 18.743 37.412 1.00 41.55 ? ? ? ? ? ? 25 LEU A N 1 - ATOM 11 C CA . LEU A 1 25 ? -5.168 19.939 37.026 1.00 37.55 ? ? ? ? ? ? 25 LEU A CA 1 - */ - - Group g = a.getGroup(); - - String record ; - if ( g.getType().equals(GroupType.HETATM) ) { - record = "HETATM"; - } else { - record = "ATOM"; - } - - String entityId = "0"; - String labelSeqId = Integer.toString(g.getResidueNumber().getSeqNum()); - if (g.getChain()!=null && g.getChain().getEntityInfo()!=null) { - entityId = Integer.toString(g.getChain().getEntityInfo().getMolId()); - if (g.getChain().getEntityInfo().getType() == EntityType.POLYMER) { - // this only makes sense for polymeric chains, non-polymer chains will never have seqres groups and there's no point in calling getAlignedResIndex - labelSeqId = Integer.toString(g.getChain().getEntityInfo().getAlignedResIndex(g, g.getChain())); - } - } - - Character altLoc = a.getAltLoc(); - String altLocStr; - if (altLoc==null || altLoc == ' ') { - altLocStr = MMCIF_DEFAULT_VALUE; - } else { - altLocStr = altLoc.toString(); - } - - Element e = a.getElement(); - String eString = e.toString().toUpperCase(); - if ( e.equals(Element.R)) { - eString = "X"; - } - - String insCode = MMCIF_MISSING_VALUE; - if (g.getResidueNumber().getInsCode()!=null ) { - insCode = Character.toString(g.getResidueNumber().getInsCode()); - } - - AtomSite atomSite = new AtomSite(); - atomSite.setGroup_PDB(record); - atomSite.setId(Integer.toString(atomId)); - atomSite.setType_symbol(eString); - atomSite.setLabel_atom_id(a.getName()); - atomSite.setLabel_alt_id(altLocStr); - atomSite.setLabel_comp_id(g.getPDBName()); - atomSite.setLabel_asym_id(chainId); - atomSite.setLabel_entity_id(entityId); - atomSite.setLabel_seq_id(labelSeqId); - atomSite.setPdbx_PDB_ins_code(insCode); - atomSite.setCartn_x(FileConvert.d3.format(a.getX())); - atomSite.setCartn_y(FileConvert.d3.format(a.getY())); - atomSite.setCartn_z(FileConvert.d3.format(a.getZ())); - atomSite.setOccupancy(FileConvert.d2.format(a.getOccupancy())); - atomSite.setB_iso_or_equiv(FileConvert.d2.format(a.getTempFactor())); - atomSite.setAuth_seq_id(Integer.toString(g.getResidueNumber().getSeqNum())); - atomSite.setAuth_comp_id(g.getPDBName()); - atomSite.setAuth_asym_id(chainName); - atomSite.setAuth_atom_id(a.getName()); - atomSite.setPdbx_PDB_model_num(Integer.toString(model)); - - return atomSite; - } - - /** - * Converts a Group into a List of {@link AtomSite} objects. - * Atoms in other altloc groups (different from the main group) are also included, removing possible duplicates - * via using the atom identifier to assess uniqueness. - * @param g the group - * @param model the model number for the output AtomSites - * @param chainName the chain identifier (author id) for the output AtomSites - * @param chainId the internal chain identifier (asym id) for the output AtomSites - * @return - */ - public static List convertGroupToAtomSites(Group g, int model, String chainName, String chainId) { - - // The alt locs can have duplicates, since at parsing time we make sure that all alt loc groups have - // all atoms (see StructureTools#cleanUpAltLocs) - // Thus we have to remove duplicates here by using the atom id - // See issue https://github.com/biojava/biojava/issues/778 and TestAltLocs.testMmcifWritingAllAltlocs/testMmcifWritingPartialAltlocs - Map uniqueAtomSites = new LinkedHashMap<>(); - - int groupsize = g.size(); - - for ( int atompos = 0 ; atompos < groupsize; atompos++) { - Atom a = g.getAtom(atompos); - if ( a == null) - continue ; - - uniqueAtomSites.put(a.getPDBserial(), convertAtomToAtomSite(a, model, chainName, chainId)); - } - - if ( g.hasAltLoc()){ - for (Group alt : g.getAltLocs() ) { - for (AtomSite atomSite : convertGroupToAtomSites(alt, model, chainName, chainId)) { - uniqueAtomSites.put(Integer.parseInt(atomSite.getId()), atomSite); - } - } - } - return new ArrayList<>(uniqueAtomSites.values()); - } - - /** - * Converts a Chain into a List of {@link AtomSite} objects - * @param c the chain - * @param model the model number for the output AtomSites - * @param chainName the chain identifier (author id) for the output AtomSites - * @param chainId the internal chain identifier (asym id) for the output AtomSites - * @return - */ - public static List convertChainToAtomSites(Chain c, int model, String chainName, String chainId) { - - List list = new ArrayList<>(); - - if (c.getEntityInfo()==null) { - logger.warn("No entity found for chain {}: entity_id will be set to 0, label_seq_id will be the same as auth_seq_id", c.getName()); - } - - for ( int h=0; h convertStructureToAtomSites(Structure s) { - List list = new ArrayList(); - - for (int m=0;m int[] getFieldSizes(List list, Field[] fields) { - - if (list.isEmpty()) throw new IllegalArgumentException("List of beans is empty!"); - - if(fields == null) - fields = getFields(list.get(0).getClass()); - - int[] sizes = new int [fields.length]; - - - for (T a:list) { - int i = -1; - for (Field f : fields) { - i++; - - f.setAccessible(true); - - try { - Object obj = f.get(a); - int length; - if (obj==null) { - length = MMCIF_MISSING_VALUE.length(); - } else { - String val = (String) obj; - length = addMmCifQuoting(val).length(); - } - - if (length>sizes[i]) sizes[i] = length; - - } catch (IllegalAccessException e) { - logger.warn("Field {} is inaccessible", f.getName()); - continue; - } catch (ClassCastException e) { - logger.warn("Could not cast value to String for field {}",f.getName()); - continue; - } - } - } - return sizes; - } - - /** - * Finds the max length of a list of strings - * Useful for producing mmCIF single-record data that is aligned for all values. - * @param names - * @return - * @see #toMMCIF(String, Object) - */ - private static int getMaxStringLength(String[] names) { - int size = 0; - for(String s : names) { - if(s.length()>size) { - size = s.length(); - } - } - return size; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMcifConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMcifConsumer.java deleted file mode 100644 index 9284c2ad31..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMcifConsumer.java +++ /dev/null @@ -1,116 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Mar 4, 2008 - */ -package org.biojava.nbio.structure.io.mmcif; - -import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.mmcif.model.*; - -import java.util.List; - -/** An interface for the events triggered by a MMcifParser. - * The Consumer listens to the events and builds up the protein structure. - * - * @author Andreas Prlic - * @since 1.7 - * - */ -public interface MMcifConsumer { - /** called at start of document - * - */ - public void documentStart(); - - /** called at end of document - * - */ - public void documentEnd(); - - - /** A new AtomSite record has been read. Contains the Atom data - * - * @param atom - */ - public void newAtomSite(AtomSite atom); - public void newEntity(Entity entity); - public void newEntityPoly(EntityPoly entityPoly); - public void newEntityPolySeq(EntityPolySeq epolseq); - public void newStructAsym(StructAsym sasym); - public void setStruct(Struct struct); - public void newDatabasePDBrev(DatabasePDBrev dbrev); - public void newDatabasePDBrevRecord(DatabasePdbrevRecord dbrev); - public void newDatabasePDBremark(DatabasePDBremark remark); - public void newExptl(Exptl exptl); - public void newCell(Cell cell); - public void newSymmetry(Symmetry symmetry); - public void newStructNcsOper(StructNcsOper sNcsOper); - public void newAtomSites(AtomSites atomSites); - public void newStructRef(StructRef sref); - public void newStructRefSeq(StructRefSeq sref); - public void newStructRefSeqDif(StructRefSeqDif sref); - public void newStructSite(StructSite sref); - public void newStructSiteGen(StructSiteGen sref); - public void newPdbxAuditRevisionHistory(PdbxAuditRevisionHistory history); - public void newPdbxDatabaseStatus(PdbxDatabaseStatus status); - public void newPdbxPolySeqScheme(PdbxPolySeqScheme ppss); - public void newPdbxNonPolyScheme(PdbxNonPolyScheme ppss); - public void newPdbxEntityNonPoly(PdbxEntityNonPoly pen); - public void newStructKeywords(StructKeywords kw); - public void newRefine(Refine r); - public void newChemComp(ChemComp c); - public void newChemCompDescriptor(ChemCompDescriptor ccd); - public void newPdbxStructOperList(PdbxStructOperList structOper); - public void newPdbxStrucAssembly(PdbxStructAssembly strucAssembly); - public void newPdbxStrucAssemblyGen(PdbxStructAssemblyGen strucAssembly); - public void newChemCompAtom(ChemCompAtom atom); - public void newPdbxChemCompIndentifier(PdbxChemCompIdentifier id); - public void newChemCompBond(ChemCompBond bond); - public void newPdbxChemCompDescriptor(PdbxChemCompDescriptor desc); - public void newEntitySrcGen(EntitySrcGen entitySrcGen); - public void newEntitySrcNat(EntitySrcNat entitySrcNat); - public void newEntitySrcSyn(EntitySrcSyn entitySrcSyn); - public void newStructConn(StructConn structConn); - - /** AuditAuthor contains the info from the PDB-AUTHOR records. - * - * @param aa - */ - public void newAuditAuthor(AuditAuthor aa); - - /** This method is called if no particular handler for the provided cif category - * has been implemented so far. - * @param category The category that is being processed. - * @param loopFields the fields of this category. - * @param lineData the data that is being provided. - */ - public void newGenericData(String category, List loopFields, List lineData); - - public void setFileParsingParameters(FileParsingParameters params); - public FileParsingParameters getFileParsingParameters(); - - - - - - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMcifParser.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMcifParser.java deleted file mode 100644 index e20a35d87c..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MMcifParser.java +++ /dev/null @@ -1,66 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Mar 4, 2008 - */ -package org.biojava.nbio.structure.io.mmcif; - -import java.io.BufferedReader; -import java.io.IOException; -import java.io.InputStream; - -/** Interface that needs to be implemented by an MMcifParser - * - * @author Andreas Prlic - * @since 1.7 - */ -public interface MMcifParser { - - /** Add a MMcifConsumer that listens to even being triggered by the parser and processes the data into a backend provided by the Consumer. - * - * @param consumer a consumer object. - */ - public void addMMcifConsumer(MMcifConsumer consumer); - - /** Remove all consumers from the parser. - * - */ - public void clearConsumers(); - - /** remove a single consumer from the parser - * - * @param consumer - */ - public void removeMMcifConsumer(MMcifConsumer consumer); - - - /** Start the actual parsing. The parser will trigger events that are defined by the MMcifConsumer class. - * - * @param buf a BufferedReader. - */ - public void parse(BufferedReader buf) throws IOException; - - /** Start the actual parsing. The parser will trigger events that are defined by the MMcifConsumer class. - * - * @param inStream InputStream to parse from. - */ - public void parse(InputStream inStream) throws IOException; - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MetalBondConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MetalBondConsumer.java deleted file mode 100644 index dbb91bd71f..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MetalBondConsumer.java +++ /dev/null @@ -1,294 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif; - -import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.mmcif.chem.MetalBondDistance; -import org.biojava.nbio.structure.io.mmcif.model.*; - -import java.util.ArrayList; -import java.util.HashMap; -import java.util.List; -import java.util.Map; - -/** - * Created by andreas on 6/9/16. - */ -public class MetalBondConsumer implements MMcifConsumer{ - - - Map> definitions = new HashMap<>(); - - @Override - public void documentStart() { - definitions.clear(); - } - - @Override - public void documentEnd() { - - // minimize memory consumption - - for (List d : definitions.values()){ - ArrayList a = (ArrayList)d; - - a.trimToSize(); - } - - } - - @Override - public void newAtomSite(AtomSite atom) { - - } - - @Override - public void newEntity(Entity entity) { - - } - - @Override - public void newEntityPoly(EntityPoly entityPoly) { - - } - - @Override - public void newEntityPolySeq(EntityPolySeq epolseq) { - - } - - @Override - public void newStructAsym(StructAsym sasym) { - - } - - @Override - public void setStruct(Struct struct) { - - } - - @Override - public void newDatabasePDBrev(DatabasePDBrev dbrev) { - - } - - @Override - public void newDatabasePDBrevRecord(DatabasePdbrevRecord dbrev) { - - } - - @Override - public void newDatabasePDBremark(DatabasePDBremark remark) { - - } - - @Override - public void newExptl(Exptl exptl) { - - } - - @Override - public void newCell(Cell cell) { - - } - - @Override - public void newSymmetry(Symmetry symmetry) { - - } - - @Override - public void newStructNcsOper(StructNcsOper sNcsOper) { - - } - - @Override - public void newAtomSites(AtomSites atomSites) { - - } - - @Override - public void newStructRef(StructRef sref) { - - } - - @Override - public void newStructRefSeq(StructRefSeq sref) { - - } - - @Override - public void newStructRefSeqDif(StructRefSeqDif sref) { - - } - - @Override - public void newStructSite(StructSite sref) { - - } - - @Override - public void newStructSiteGen(StructSiteGen sref) { - - } - - @Override - public void newPdbxPolySeqScheme(PdbxPolySeqScheme ppss) { - - } - - @Override - public void newPdbxNonPolyScheme(PdbxNonPolyScheme ppss) { - - } - - @Override - public void newPdbxEntityNonPoly(PdbxEntityNonPoly pen) { - - } - - @Override - public void newStructKeywords(StructKeywords kw) { - - } - - @Override - public void newRefine(Refine r) { - - } - - @Override - public void newChemComp(ChemComp c) { - - } - - @Override - public void newChemCompDescriptor(ChemCompDescriptor ccd) { - - } - - @Override - public void newPdbxStructOperList(PdbxStructOperList structOper) { - - } - - @Override - public void newPdbxStrucAssembly(PdbxStructAssembly strucAssembly) { - - } - - @Override - public void newPdbxStrucAssemblyGen(PdbxStructAssemblyGen strucAssembly) { - - } - - @Override - public void newChemCompAtom(ChemCompAtom atom) { - - } - - @Override - public void newPdbxChemCompIndentifier(PdbxChemCompIdentifier id) { - - } - - @Override - public void newChemCompBond(ChemCompBond bond) { - - } - - @Override - public void newPdbxChemCompDescriptor(PdbxChemCompDescriptor desc) { - - } - - @Override - public void newEntitySrcGen(EntitySrcGen entitySrcGen) { - - } - - @Override - public void newEntitySrcNat(EntitySrcNat entitySrcNat) { - - } - - @Override - public void newEntitySrcSyn(EntitySrcSyn entitySrcSyn) { - - } - - @Override - public void newStructConn(StructConn structConn) { - - } - - @Override - public void newAuditAuthor(AuditAuthor aa) { - - } - - @Override - public void newGenericData(String category, List loopFields, List lineData) { - - MetalBondDistance d = new MetalBondDistance(); - - d.setAtomType1(lineData.get(0)); - d.setAtomType2(lineData.get(1)); - d.setLowerLimit(Float.parseFloat(lineData.get(2))); - d.setUpperLimit(Float.parseFloat(lineData.get(3))); - - List defs = definitions.get(d.getAtomType1()); - - if ( defs == null){ - defs = new ArrayList<>(); - definitions.put(d.getAtomType1(),defs); - } - - defs.add(d); - - } - - @Override - public void setFileParsingParameters(FileParsingParameters params) { - - } - - @Override - public FileParsingParameters getFileParsingParameters() { - return null; - } - - public Map> getDefinitions(){ - return definitions; - } - - @Override - public void newPdbxAuditRevisionHistory(PdbxAuditRevisionHistory history) { - // TODO Auto-generated method stub - - } - - @Override - public void newPdbxDatabaseStatus(PdbxDatabaseStatus status) { - // TODO Auto-generated method stub - - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MetalBondParser.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MetalBondParser.java deleted file mode 100644 index 03d6789c5c..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/MetalBondParser.java +++ /dev/null @@ -1,86 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif; - -import org.biojava.nbio.structure.io.mmcif.chem.MetalBondDistance; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.io.InputStream; -import java.util.*; - -import java.util.zip.GZIPInputStream; - -/** - * Created by andreas on 6/6/16. - */ -public class MetalBondParser { - - private static final Logger logger = LoggerFactory.getLogger(MetalBondParser.class); - - private static final String BONDS_FILE = "org/biojava/nbio/structure/bond_distance_limits.cif.gz"; - - - static Map> definitions; - - static { - definitions = init(); - } - - - public static Map> getMetalBondDefinitions(){ - return definitions; - - } - - - private static Map> init(){ - - InputStream inputStream = MetalBondParser.class.getClassLoader().getResourceAsStream(BONDS_FILE); - - if (inputStream == null) { - throw new RuntimeException("Could not find resource "+BONDS_FILE+". This probably means that your biojava.jar file is corrupt or incorrectly built."); - } - - try { - GZIPInputStream gzIS = new GZIPInputStream(inputStream); - - SimpleMMcifParser parser = new SimpleMMcifParser(); - - MetalBondConsumer consumer = new MetalBondConsumer(); - parser.addMMcifConsumer(consumer); - - parser.parse(gzIS); - - Map> defs = consumer.getDefinitions(); - - return defs; - - } catch ( Exception e){ - logger.error(e.getMessage(),e); - - } - return null; - } - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ReducedChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ReducedChemCompProvider.java deleted file mode 100644 index 0d752cea04..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ReducedChemCompProvider.java +++ /dev/null @@ -1,91 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif; - -import java.io.BufferedReader; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; -import java.util.zip.GZIPInputStream; - -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - - -/** Unlike the {@link DownloadChemCompProvider}, this {@link ChemCompProvider} does not download any chem comp definitions. - * It has access to a limited set of files that are part of the biojava distribution. - * - * @author Andreas Prlic - * @since 3.0 - */ -public class ReducedChemCompProvider implements ChemCompProvider { - - private static final Logger logger = LoggerFactory.getLogger(ReducedChemCompProvider.class); - - public ReducedChemCompProvider(){ - logger.debug("Initialising ReducedChemCompProvider"); - } - - - @Override - public ChemComp getChemComp(String recordName) { - String name = recordName.toUpperCase().trim(); - try(InputStream inStream = this.getClass().getResourceAsStream("/chemcomp/"+name + ".cif.gz")) { - - logger.debug("Reading chemcomp/"+name+".cif.gz"); - - if ( inStream == null){ - //System.out.println("Could not find chem comp: " + name + " ... using generic Chem Comp"); - // could not find the chem comp definition for this in the jar file - logger.debug("Getting empty chem comp for {}",name); - ChemComp cc = ChemComp.getEmptyChemComp(); - cc.setId(name); - return cc; - } - - MMcifParser parser = new SimpleMMcifParser(); - - ChemCompConsumer consumer = new ChemCompConsumer(); - - // The Consumer builds up the BioJava - structure object. - // you could also hook in your own and build up you own data model. - parser.addMMcifConsumer(consumer); - - parser.parse(new BufferedReader(new InputStreamReader(new GZIPInputStream(inStream)))); - - ChemicalComponentDictionary dict = consumer.getDictionary(); - - ChemComp chemComp = dict.getChemComp(name); - - return chemComp; - - } catch (IOException e){ - logger.error("IOException caught while reading chem comp {}.",name,e); - } - logger.warn("Problem when loading chem comp {}, will use an empty chem comp for it", name); - ChemComp cc = ChemComp.getEmptyChemComp(); - cc.setId(name); - return cc; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/SimpleMMcifConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/SimpleMMcifConsumer.java deleted file mode 100644 index b0cdecdc14..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/SimpleMMcifConsumer.java +++ /dev/null @@ -1,2167 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Apr 26, 2008 - */ -package org.biojava.nbio.structure.io.mmcif; - -import java.text.ParseException; -import java.text.SimpleDateFormat; -import java.util.ArrayList; -import java.util.Date; -import java.util.HashMap; -import java.util.LinkedHashMap; -import java.util.List; -import java.util.Locale; -import java.util.Map; - -import javax.vecmath.Matrix4d; - -import org.biojava.nbio.structure.AminoAcid; -import org.biojava.nbio.structure.AminoAcidImpl; -import org.biojava.nbio.structure.Atom; -import org.biojava.nbio.structure.AtomImpl; -import org.biojava.nbio.structure.Chain; -import org.biojava.nbio.structure.ChainImpl; -import org.biojava.nbio.structure.EntityInfo; -import org.biojava.nbio.structure.EntityType; -import org.biojava.nbio.structure.DBRef; -import org.biojava.nbio.structure.Element; -import org.biojava.nbio.structure.Group; -import org.biojava.nbio.structure.GroupType; -import org.biojava.nbio.structure.HetatomImpl; -import org.biojava.nbio.structure.NucleotideImpl; -import org.biojava.nbio.structure.PDBCrystallographicInfo; -import org.biojava.nbio.structure.PDBHeader; -import org.biojava.nbio.structure.ResidueNumber; -import org.biojava.nbio.structure.SeqMisMatch; -import org.biojava.nbio.structure.SeqMisMatchImpl; -import org.biojava.nbio.structure.Site; -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureImpl; -import org.biojava.nbio.structure.StructureTools; -import org.biojava.nbio.structure.io.BondMaker; -import org.biojava.nbio.structure.io.ChargeAdder; -import org.biojava.nbio.structure.io.EntityFinder; -import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.SeqRes2AtomAligner; -import org.biojava.nbio.structure.io.mmcif.model.AtomSite; -import org.biojava.nbio.structure.io.mmcif.model.AtomSites; -import org.biojava.nbio.structure.io.mmcif.model.AuditAuthor; -import org.biojava.nbio.structure.io.mmcif.model.Cell; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; -import org.biojava.nbio.structure.io.mmcif.model.ChemCompAtom; -import org.biojava.nbio.structure.io.mmcif.model.ChemCompBond; -import org.biojava.nbio.structure.io.mmcif.model.ChemCompDescriptor; -import org.biojava.nbio.structure.io.mmcif.model.DatabasePDBremark; -import org.biojava.nbio.structure.io.mmcif.model.DatabasePDBrev; -import org.biojava.nbio.structure.io.mmcif.model.DatabasePdbrevRecord; -import org.biojava.nbio.structure.io.mmcif.model.Entity; -import org.biojava.nbio.structure.io.mmcif.model.EntityPoly; -import org.biojava.nbio.structure.io.mmcif.model.EntityPolySeq; -import org.biojava.nbio.structure.io.mmcif.model.EntitySrcGen; -import org.biojava.nbio.structure.io.mmcif.model.EntitySrcNat; -import org.biojava.nbio.structure.io.mmcif.model.EntitySrcSyn; -import org.biojava.nbio.structure.io.mmcif.model.Exptl; -import org.biojava.nbio.structure.io.mmcif.model.PdbxAuditRevisionHistory; -import org.biojava.nbio.structure.io.mmcif.model.PdbxChemCompDescriptor; -import org.biojava.nbio.structure.io.mmcif.model.PdbxChemCompIdentifier; -import org.biojava.nbio.structure.io.mmcif.model.PdbxDatabaseStatus; -import org.biojava.nbio.structure.io.mmcif.model.PdbxEntityNonPoly; -import org.biojava.nbio.structure.io.mmcif.model.PdbxNonPolyScheme; -import org.biojava.nbio.structure.io.mmcif.model.PdbxPolySeqScheme; -import org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssembly; -import org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssemblyGen; -import org.biojava.nbio.structure.io.mmcif.model.PdbxStructOperList; -import org.biojava.nbio.structure.io.mmcif.model.Refine; -import org.biojava.nbio.structure.io.mmcif.model.Struct; -import org.biojava.nbio.structure.io.mmcif.model.StructAsym; -import org.biojava.nbio.structure.io.mmcif.model.StructConn; -import org.biojava.nbio.structure.io.mmcif.model.StructKeywords; -import org.biojava.nbio.structure.io.mmcif.model.StructNcsOper; -import org.biojava.nbio.structure.io.mmcif.model.StructRef; -import org.biojava.nbio.structure.io.mmcif.model.StructRefSeq; -import org.biojava.nbio.structure.io.mmcif.model.StructRefSeqDif; -import org.biojava.nbio.structure.io.mmcif.model.StructSite; -import org.biojava.nbio.structure.io.mmcif.model.StructSiteGen; -import org.biojava.nbio.structure.io.mmcif.model.Symmetry; -import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; -import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; -import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; -import org.biojava.nbio.structure.xtal.CrystalCell; -import org.biojava.nbio.structure.xtal.SpaceGroup; -import org.biojava.nbio.structure.xtal.SymoplibParser; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -/** - * A MMcifConsumer implementation that builds an in-memory representation of the - * content of a mmcif file as a BioJava Structure object. - * - * @author Andreas Prlic - * @since 1.7 - */ - -public class SimpleMMcifConsumer implements MMcifConsumer { - - private static final Logger logger = LoggerFactory.getLogger(SimpleMMcifConsumer.class); - - private Structure structure; - private Chain currentChain; - private Group currentGroup; - - /** - * A temporary data structure to hold all parsed chains - */ - private ArrayList> allModels; - /** - * The current set of chains per model - */ - private List currentModel; - private List entities; - /** - * Needed in header only mode to get mapping between asym ids and author ids - */ - private List entityPolys; - private List strucRefs; - private List seqResChains; - private List entityChains; // needed to link entities, chains and compounds... - private List structAsyms; // needed to link entities, chains and compounds... - private List structOpers ; // - private List strucAssemblies; - private List strucAssemblyGens; - private List entitySrcGens; - private List entitySrcNats; - private List entitySrcSyns; - private List structConn; - private List structNcsOper; - private List sequenceDifs; - private List structSiteGens; - - private Matrix4d parsedScaleMatrix; - - - - /** - * A map of asym ids (internal chain ids) to entity ids extracted from - * the _struct_asym category - */ - private Map asymId2entityId; - - /** - * A map of asym ids (internal chain ids) to author ids extracted from - * the _entity_poly category. Used in header only parsing. - */ - private Map asymId2authorId; - - private String currentNmrModelNumber ; - - private FileParsingParameters params; - - public SimpleMMcifConsumer(){ - params = new FileParsingParameters(); - documentStart(); - - } - - @Override - public void newEntity(Entity entity) { - logger.debug("New entity: {}",entity.toString()); - entities.add(entity); - } - - @Override - public void newEntityPoly(EntityPoly entityPoly) { - entityPolys.add(entityPoly); - } - - @Override - public void newPdbxStructOperList(PdbxStructOperList structOper){ - - structOpers.add(structOper); - } - - @Override - public void newStructAsym(StructAsym sasym){ - - structAsyms.add(sasym); - } - - private Entity getEntity(int entity_id){ - try { - for (Entity e: entities){ - int eId = Integer.parseInt(e.getId()); - if (eId== entity_id){ - return e; - } - } - } catch (NumberFormatException e) { - logger.warn("Entity id does not look like a number: {}", e.getMessage()); - } - return null; - } - - @Override - public void newStructKeywords(StructKeywords kw){ - PDBHeader header = structure.getPDBHeader(); - if ( header == null) - header = new PDBHeader(); - header.setDescription(kw.getPdbx_keywords()); - header.setClassification(kw.getPdbx_keywords()); - } - - @Override - public void setStruct(Struct struct) { - - PDBHeader header = structure.getPDBHeader(); - if ( header == null) - header = new PDBHeader(); - - header.setTitle(struct.getTitle()); - header.setIdCode(struct.getEntry_id()); - //header.setDescription(struct.getPdbx_descriptor()); - //header.setClassification(struct.getPdbx_descriptor()); - //header.setDescription(struct.getPdbx_descriptor()); - - - - structure.setPDBHeader(header); - structure.setPDBCode(struct.getEntry_id()); - } - - /** initiate new group, either Hetatom, Nucleotide, or AminoAcid */ - private Group getNewGroup(String recordName,Character aminoCode1, long seq_id,String groupCode3) { - - Group g = ChemCompGroupFactory.getGroupFromChemCompDictionary(groupCode3); - if ( g != null && !g.getChemComp().isEmpty()) { - if ( g instanceof AminoAcidImpl) { - AminoAcidImpl aa = (AminoAcidImpl) g; - aa.setId(seq_id); - } else if ( g instanceof NucleotideImpl) { - NucleotideImpl nuc = (NucleotideImpl) g; - nuc.setId(seq_id); - } else if ( g instanceof HetatomImpl) { - HetatomImpl het = (HetatomImpl)g; - het.setId(seq_id); - } - return g; - } - - - - Group group; - if ( recordName.equals("ATOM") ) { - if (StructureTools.isNucleotide(groupCode3)) { - // it is a nucleotide - NucleotideImpl nu = new NucleotideImpl(); - group = nu; - nu.setId(seq_id); - - } else if (aminoCode1==null || aminoCode1 == StructureTools.UNKNOWN_GROUP_LABEL){ - HetatomImpl h = new HetatomImpl(); - h.setId(seq_id); - group = h; - - } else { - AminoAcidImpl aa = new AminoAcidImpl() ; - aa.setAminoType(aminoCode1); - aa.setId(seq_id); - group = aa ; - } - } - else { - if (StructureTools.isNucleotide(groupCode3)) { - // it is a nucleotide - NucleotideImpl nu = new NucleotideImpl(); - group = nu; - nu.setId(seq_id); - } - else if (aminoCode1 != null ) { - AminoAcidImpl aa = new AminoAcidImpl() ; - aa.setAminoType(aminoCode1); - aa.setId(seq_id); - group = aa ; - } else { - HetatomImpl h = new HetatomImpl(); - h.setId(seq_id); - group = h; - } - } - return group ; - } - - /** - * Test if the given asymId is already present in the list of chains given. If yes, returns the chain - * otherwise returns null. - */ - private static Chain isKnownChain(String asymId, List chains){ - - for (int i = 0; i< chains.size();i++){ - Chain testchain = chains.get(i); - //System.out.println("comparing chainID >"+chainID+"< against testchain " + i+" >" +testchain.getName()+"<"); - if (asymId.equals(testchain.getId())) { - //System.out.println("chain "+ chainID+" already known ..."); - return testchain; - } - } - - return null; - } - - @Override - public void newAtomSite(AtomSite atom) { - - if (params.isHeaderOnly()) return; - - // Warning: getLabel_asym_id is not the "chain id" in the PDB file - // it is the internally used chain id. - // later on we will fix this... - - // later one needs to map the asym id to the pdb_strand_id - - //TODO: add support for FileParsingParams.getMaxAtoms() - - boolean startOfNewChain = false; - - String asymId = atom.getLabel_asym_id(); - String authId = atom.getAuth_asym_id(); - - String recordName = atom.getGroup_PDB(); - String residueNumberS = atom.getAuth_seq_id(); - Integer residueNrInt = Integer.parseInt(residueNumberS); - - // the 3-letter name of the group: - String groupCode3 = atom.getLabel_comp_id(); - - boolean isHetAtomInFile = false; - - Character aminoCode1 = null; - if ( recordName.equals("ATOM") ) - aminoCode1 = StructureTools.get1LetterCodeAmino(groupCode3); - else { - aminoCode1 = StructureTools.get1LetterCodeAmino(groupCode3); - - // for nucleotides this will be null.. - if (aminoCode1 != null && aminoCode1.equals(StructureTools.UNKNOWN_GROUP_LABEL)) - aminoCode1 = null; - - isHetAtomInFile = true; - } - String insCodeS = atom.getPdbx_PDB_ins_code(); - Character insCode = null; - if (! insCodeS.equals("?")) { - insCode = insCodeS.charAt(0); - } - // we store the internal seq id in the Atom._id field - // this is not a PDB file field but we need this to internally assign the insertion codes later - // from the pdbx_poly_seq entries.. - - long seq_id = -1; - try { - seq_id = Long.parseLong(atom.getLabel_seq_id()); - } catch (NumberFormatException e){ - // non polymer chains (ligands and small molecules) will have a label_seq_id set to '.', thus it is ok to - // silently ignore this - //logger.debug("Could not parse number for _atom_site.label_seq_id: "+e.getMessage()); - } - - String nmrModelNumber = atom.getPdbx_PDB_model_num(); - - if ( currentNmrModelNumber == null) { - currentNmrModelNumber = nmrModelNumber; - } - - if (! currentNmrModelNumber.equals(nmrModelNumber)){ - currentNmrModelNumber = nmrModelNumber; - - // add previous data - if ( currentChain != null ) { - currentChain.addGroup(currentGroup); - currentGroup.trimToSize(); - } - - // we came to the beginning of a new NMR model - allModels.add(currentModel); - currentModel = new ArrayList(); - currentChain = null; - currentGroup = null; - } - - - if (currentChain == null) { - - currentChain = new ChainImpl(); - currentChain.setName(authId); - currentChain.setId(asymId); - currentModel.add(currentChain); - startOfNewChain = true; - } - - //System.out.println("BEFORE: " + chain_id + " " + current_chain.getName()); - if ( ! asymId.equals(currentChain.getId()) ) { - //logger.info("unknown chain. creating new chain. authId:" + authId + " asymId: " + asymId); - startOfNewChain = true; - - // end up old chain... - currentChain.addGroup(currentGroup); - - // see if old chain is known ... - Chain testchain = isKnownChain(asymId,currentModel); - - if ( testchain == null) { - //logger.info("unknown chain. creating new chain. authId:" + authId + " asymId: " + asymId); - - currentChain = new ChainImpl(); - currentChain.setName(authId); - currentChain.setId(asymId); - - } else { - currentChain = testchain; - } - - if ( ! currentModel.contains(currentChain)) - currentModel.add(currentChain); - - } - - - ResidueNumber residueNumber = new ResidueNumber(authId,residueNrInt, insCode); - - if (currentGroup == null) { - - - currentGroup = getNewGroup(recordName,aminoCode1,seq_id, groupCode3); - - currentGroup.setResidueNumber(residueNumber); - currentGroup.setPDBName(groupCode3); - currentGroup.setHetAtomInFile(isHetAtomInFile); - } - - // SET UP THE ALT LOC GROUP - Group altGroup = null; - String altLocS = atom.getLabel_alt_id(); - Character altLoc = ' '; - if ( altLocS.length()>0) { - altLoc = altLocS.charAt(0); - if ( altLoc.equals('.') ) - altLoc = ' '; - - } - // If it's the start of the new chain - if ( startOfNewChain){ - currentGroup = getNewGroup(recordName,aminoCode1,seq_id, groupCode3); - currentGroup.setResidueNumber(residueNumber); - currentGroup.setPDBName(groupCode3); - currentGroup.setHetAtomInFile(isHetAtomInFile); - } - // ANTHONY BRADLEY ADDED THIS -> WE ONLY WAN'T TO CHECK FOR ALT LOCS WHEN IT's NOT THE FIRST GROUP IN CHAIN - else{ - // check if residue number is the same ... - // insertion code is part of residue number - if ( ! residueNumber.equals(currentGroup.getResidueNumber())) { - //System.out.println("end of residue: "+current_group.getPDBCode()+" "+residueNrInt); - currentChain.addGroup(currentGroup); - currentGroup.trimToSize(); - currentGroup = getNewGroup(recordName,aminoCode1,seq_id,groupCode3); - currentGroup.setPDBName(groupCode3); - currentGroup.setResidueNumber(residueNumber); - currentGroup.setHetAtomInFile(isHetAtomInFile); - - - } else { - // same residueNumber, but altLocs... - // test altLoc - - if ( ! altLoc.equals(' ') && ( ! altLoc.equals('.'))) { - logger.debug("found altLoc! " + altLoc + " " + currentGroup + " " + altGroup); - altGroup = getCorrectAltLocGroup( altLoc,recordName,aminoCode1,groupCode3, seq_id); - if (altGroup.getChain()==null) { - altGroup.setChain(currentChain); - } - } - } - } - //atomCount++; - //System.out.println("fixing atom name for >" + atom.getLabel_atom_id() + "< >" + fullname + "<"); - - - if ( params.isParseCAOnly() ){ - // yes , user wants to get CA only - // only parse CA atoms... - if (! (atom.getLabel_atom_id().equals(StructureTools.CA_ATOM_NAME) && atom.getType_symbol().equals("C"))) { - //System.out.println("ignoring " + line); - //atomCount--; - return; - } - } - - //see if chain_id is one of the previous chains ... - - Atom a = convertAtom(atom); - - //see if chain_id is one of the previous chains ... - if ( altGroup != null) { - altGroup.addAtom(a); - altGroup = null; - } - else { - currentGroup.addAtom(a); - } - - - String atomName = a.getName(); - // make sure that main group has all atoms - // GitHub issue: #76 - if ( ! currentGroup.hasAtom(atomName)) { - // Unless it's microheterogenity https://github.com/rcsb/codec-devel/issues/81 - if (currentGroup.getPDBName().equals(a.getGroup().getPDBName())) { - if(!StructureTools.hasNonDeuteratedEquiv(a,currentGroup)){ - currentGroup.addAtom(a); - } - } - - } - } - - /** - * Convert a mmCIF AtomSite object to a BioJava Atom object - * - * @param atom the mmmcif AtomSite record - * @return an Atom - */ - private Atom convertAtom(AtomSite atom){ - - - Atom a = new AtomImpl(); - - a.setPDBserial(Integer.parseInt(atom.getId())); - a.setName(atom.getLabel_atom_id()); - - double x = Double.parseDouble (atom.getCartn_x()); - double y = Double.parseDouble (atom.getCartn_y()); - double z = Double.parseDouble (atom.getCartn_z()); - a.setX(x); - a.setY(y); - a.setZ(z); - - float occupancy = Float.parseFloat (atom.getOccupancy()); - a.setOccupancy(occupancy); - - float temp = Float.parseFloat (atom.getB_iso_or_equiv()); - a.setTempFactor(temp); - - String alt = atom.getLabel_alt_id(); - if (( alt != null ) && ( alt.length() > 0) && (! alt.equals("."))){ - a.setAltLoc(new Character(alt.charAt(0))); - } else { - a.setAltLoc(new Character(' ')); - } - - Element element = Element.R; - try { - element = Element.valueOfIgnoreCase(atom.getType_symbol()); - } catch (IllegalArgumentException e) { - logger.info("Element {} was not recognised as a BioJava-known element, the element will be represented as the generic element {}", atom.getType_symbol(), Element.R.name()); - } - a.setElement(element); - - return a; - - } - - - private Group getCorrectAltLocGroup( Character altLoc, - String recordName, - Character aminoCode1, - String groupCode3, - long seq_id) { - - // see if we know this altLoc already; - List atoms = currentGroup.getAtoms(); - if ( atoms.size() > 0) { - Atom a1 = atoms.get(0); - // we are just adding atoms to the current group - // probably there is a second group following later... - if (a1.getAltLoc().equals(altLoc)) { - - return currentGroup; - } - } - - List altLocs = currentGroup.getAltLocs(); - for ( Group altLocG : altLocs ){ - atoms = altLocG.getAtoms(); - if ( atoms.size() > 0) { - for ( Atom a1 : atoms) { - if (a1.getAltLoc().equals( altLoc)) { - - return altLocG; - } - } - } - } - - // no matching altLoc group found. - // build it up. - - if ( groupCode3.equals(currentGroup.getPDBName())) { - if ( currentGroup.getAtoms().size() == 0) { - //System.out.println("current group is empty " + current_group + " " + altLoc); - return currentGroup; - } - //System.out.println("cloning current group " + current_group + " " + current_group.getAtoms().get(0).getAltLoc() + " altLoc " + altLoc); - Group altLocG = (Group) currentGroup.clone(); - // drop atoms from cloned group... - // https://redmine.open-bio.org/issues/3307 - altLocG.setAtoms(new ArrayList()); - altLocG.getAltLocs().clear(); - currentGroup.addAltLoc(altLocG); - return altLocG; - } - - // System.out.println("new group " + recordName + " " + aminoCode1 + " " +groupCode3); - //String recordName,Character aminoCode1, long seq_id,String groupCode3) { - Group altLocG = getNewGroup(recordName,aminoCode1,seq_id,groupCode3); - - altLocG.setPDBName(groupCode3); - altLocG.setResidueNumber(currentGroup.getResidueNumber()); - currentGroup.addAltLoc(altLocG); - return altLocG; - } - - /** - * Start the parsing - */ - @Override - public void documentStart() { - structure = new StructureImpl(); - - currentChain = null; - currentGroup = null; - currentNmrModelNumber = null; - //atomCount = 0; - - allModels = new ArrayList>(); - currentModel = new ArrayList(); - entities = new ArrayList(); - entityPolys = new ArrayList<>(); - strucRefs = new ArrayList(); - seqResChains = new ArrayList(); - entityChains = new ArrayList(); - structAsyms = new ArrayList(); - - asymId2entityId = new HashMap(); - asymId2authorId = new HashMap<>(); - structOpers = new ArrayList(); - strucAssemblies = new ArrayList(); - strucAssemblyGens = new ArrayList(); - entitySrcGens = new ArrayList(); - entitySrcNats = new ArrayList(); - entitySrcSyns = new ArrayList(); - structConn = new ArrayList(); - structNcsOper = new ArrayList(); - sequenceDifs = new ArrayList(); - structSiteGens = new ArrayList(); - } - - - @Override - public void documentEnd() { - - // Expected that there is one current_chain that needs to be added to the model - // When in headerOnly mode, no Atoms are read, and there will not be an active - // current_chain. - if ( currentChain != null ) { - - currentChain.addGroup(currentGroup); - if (isKnownChain(currentChain.getId(),currentModel) == null) { - currentModel.add(currentChain); - } - } else if (!params.isHeaderOnly()){ - logger.warn("current chain is null at end of document."); - } - - allModels.add(currentModel); - - // this populates the asymId2authorId and asymId2entityId maps, needed in header only mode to get the mapping - // between the 2 chain identifiers. - initMaps(); - - for (StructAsym asym : structAsyms) { - - logger.debug("Entity {} matches asym_id: {}", asym.getEntity_id(), asym.getId() ); - - Chain s = getEntityChain(asym.getEntity_id()); - Chain seqres = (Chain)s.clone(); - // to solve issue #160 (e.g. 3u7t) - seqres = removeSeqResHeterogeneity(seqres); - seqres.setId(asym.getId()); - if (asymId2authorId.get(asym.getId()) !=null ){ - seqres.setName(asymId2authorId.get(asym.getId())); - } else { - seqres.setName(asym.getId()); - } - - EntityType type = null; - try { - Entity ent = getEntity(Integer.parseInt(asym.getEntity_id())); - type = EntityType.entityTypeFromString(ent.getType()); - } catch (NumberFormatException e) { - logger.debug("Could not parse integer from entity id field {}", asym.getEntity_id()); - } - - // we'll only add seqres chains that are polymeric or unknown - if (type==null || type==EntityType.POLYMER ) { - seqResChains.add(seqres); - } - - logger.debug(" seqres: " + asym.getId() + " " + seqres + "<") ; - // adding the entities to structure - addEntities(asym); - - } - - if (structAsyms.isEmpty()) { - logger.warn("No _struct_asym category in file, no SEQRES groups will be added."); - } - - // entities - // In addEntities above we created the entities if they were present in the file - // Now we need to make sure that they are linked to chains and also that if they are not present in the file we need to add them now - linkEntities(); - - // now that we know the entities, we can add all chains to structure so that they are stored - // properly as polymer/nonpolymer/water chains inside structure - for (List model:allModels) { - structure.addModel(model); - } - - // Only align if requested (default) and not when headerOnly mode with no Atoms. - // Otherwise, we store the empty SeqRes Groups unchanged in the right chains. - if ( params.isAlignSeqRes() && !params.isHeaderOnly() ){ - logger.debug("Parsing mode align_seqres, will parse SEQRES and align to ATOM sequence"); - alignSeqRes(); - } else { - logger.debug("Parsing mode unalign_seqres, will parse SEQRES but not align it to ATOM sequence"); - SeqRes2AtomAligner.storeUnAlignedSeqRes(structure, seqResChains, params.isHeaderOnly()); - } - - - // Now make sure all altlocgroups have all the atoms in all the groups - StructureTools.cleanUpAltLocs(structure); - - // NOTE bonds and charges can only be done at this point that the chain id mapping is properly sorted out - if (!params.isHeaderOnly()) { - if ( params.shouldCreateAtomBonds()) { - addBonds(); - } - - if ( params.shouldCreateAtomCharges()) { - addCharges(); - } - } - - if (!params.isHeaderOnly()) { - - // Do structure.setSites(sites) after any chain renaming to be like PDB. - addSites(); - } - - - - // set the oligomeric state info in the header... - if (params.isParseBioAssembly()) { - - // the more detailed mapping of chains to rotation operations happens in StructureIO... - - Map bioAssemblies = new LinkedHashMap(); - - for ( PdbxStructAssembly psa : strucAssemblies){ - - List psags = new ArrayList(1); - - for ( PdbxStructAssemblyGen psag: strucAssemblyGens ) { - if ( psag.getAssembly_id().equals(psa.getId())) { - psags.add(psag); - } - } - - BiologicalAssemblyBuilder builder = new BiologicalAssemblyBuilder(); - - // these are the transformations that need to be applied to our model - List transformations = builder.getBioUnitTransformationList(psa, psags, structOpers); - - int bioAssemblyId = -1; - try { - bioAssemblyId = Integer.parseInt(psa.getId()); - } catch (NumberFormatException e) { - logger.info("Could not parse a numerical bio assembly id from '{}'",psa.getId()); - } - - // if bioassembly id is not numerical we throw it away - // this happens usually for viral capsid entries, like 1ei7 - // see issue #230 in github - if (bioAssemblyId!=-1) { - int mmSize = 0; - // note that the transforms contain asym ids of both polymers and non-polymers - // For the mmsize, we are only interested in the polymers - for (BiologicalAssemblyTransformation transf:transformations) { - Chain c = structure.getChain(transf.getChainId()); - if (c==null) { - logger.info("Could not find asym id {} specified in struct_assembly_gen", transf.getChainId()); - continue; - } - if (c.getEntityType() == EntityType.POLYMER && - // for entries like 4kro, sugars are annotated as polymers but we - // don't want them in the macromolecularSize count - !c.getEntityInfo().getDescription().contains("SUGAR") ) { - - mmSize++; - } - } - - BioAssemblyInfo bioAssembly = new BioAssemblyInfo(); - bioAssembly.setId(bioAssemblyId); - bioAssembly.setMacromolecularSize(mmSize); - bioAssembly.setTransforms(transformations); - bioAssemblies.put(bioAssemblyId,bioAssembly); - } - - } - structure.getPDBHeader().setBioAssemblies(bioAssemblies); - } - - setStructNcsOps(); - - setCrystallographicInfoMetadata(); - - - Map> misMatchMap = new HashMap>(); - for (StructRefSeqDif sdif : sequenceDifs) { - SeqMisMatch misMatch = new SeqMisMatchImpl(); - misMatch.setDetails(sdif.getDetails()); - - String insCode = sdif.getPdbx_pdb_ins_code(); - if ( insCode != null && insCode.equals("?")) - insCode = null; - misMatch.setInsCode(insCode); - misMatch.setOrigGroup(sdif.getDb_mon_id()); - misMatch.setPdbGroup(sdif.getMon_id()); - misMatch.setPdbResNum(sdif.getPdbx_auth_seq_num()); - misMatch.setUniProtId(sdif.getPdbx_seq_db_accession_code()); - misMatch.setSeqNum(sdif.getSeq_num()); - - - List mms = misMatchMap.get(sdif.getPdbx_pdb_strand_id()); - if ( mms == null) { - mms = new ArrayList(); - misMatchMap.put(sdif.getPdbx_pdb_strand_id(),mms); - } - mms.add(misMatch); - - } - - for (String chainId : misMatchMap.keySet()){ - - Chain chain = structure.getPolyChainByPDB(chainId); - - if ( chain == null) { - logger.warn("Could not set mismatches for chain with author id" + chainId); - continue; - } - - chain.setSeqMisMatches(misMatchMap.get(chainId)); - - - } - - } - - /** - * Here we link entities to chains. - * Also if entities are not present in file, this initialises the entities with some heuristics, see {@link org.biojava.nbio.structure.io.EntityFinder} - */ - private void linkEntities() { - - for (int i =0; i< allModels.size() ; i++){ - for (Chain chain : allModels.get(i)) { - //logger.info("linking entities for " + chain.getId() + " " + chain.getName()); - String entityId = asymId2entityId.get(chain.getId()); - - if (entityId==null) { - // this can happen for instance if the cif file didn't have _struct_asym category at all - // and thus we have no asymId2entityId mapping at all - logger.info("No entity id could be found for chain {}", chain.getId()); - continue; - } - int eId = Integer.parseInt(entityId); - - // Entities are not added for non-polymeric entities, if a chain is non-polymeric its entity won't be found. - // TODO: add all entities and unique compounds and add methods to directly get polymer or non-polymer - // asyms (chains). Either create a unique StructureImpl or modify existing for a better representation of the - // mmCIF internal data structures but is compatible with Structure interface. - // Some examples of PDB entries with this kind of problem: - // - 2uub: asym_id X, chainName Z, entity_id 24: fully non-polymeric but still with its own chainName - // - 3o6j: asym_id K, chainName Z, entity_id 6 : a single water molecule - // - 1dz9: asym_id K, chainName K, entity_id 6 : a potassium ion alone - - EntityInfo entityInfo = structure.getEntityById(eId); - if (entityInfo==null) { - // Supports the case where the only chain members were from non-polymeric entity that is missing. - // Solved by creating a new Compound(entity) to which this chain will belong. - logger.info("Could not find an Entity for entity_id {}, for chain id {}, creating a new Entity.", - eId, chain.getId()); - entityInfo = new EntityInfo(); - entityInfo.setMolId(eId); - entityInfo.addChain(chain); - if (chain.isWaterOnly()) { - entityInfo.setType(EntityType.WATER); - } else { - entityInfo.setType(EntityType.NONPOLYMER); - } - chain.setEntityInfo(entityInfo); - structure.addEntityInfo(entityInfo); - } else { - logger.debug("Adding chain with chain id {} (auth id {}) to Entity with entity_id {}", - chain.getId(), chain.getName(), eId); - entityInfo.addChain(chain); - chain.setEntityInfo(entityInfo); - } - - } - - } - - // if no entity information was present in file we then go and find the entities heuristically with EntityFinder - List entityInfos = structure.getEntityInfos(); - if (entityInfos==null || entityInfos.isEmpty()) { - - List> polyModels = new ArrayList<>(); - List> nonPolyModels = new ArrayList<>(); - List> waterModels = new ArrayList<>(); - - for (List model:allModels) { - - List polyChains = new ArrayList<>(); - List nonPolyChains = new ArrayList<>(); - List waterChains = new ArrayList<>(); - - polyModels.add(polyChains); - nonPolyModels.add(nonPolyChains); - waterModels.add(waterChains); - - for (Chain c:model) { - - // we only have entities for polymeric chains, all others are ignored for assigning entities - if (c.isWaterOnly()) { - waterChains.add(c); - - } else if (c.isPureNonPolymer()) { - nonPolyChains.add(c); - - } else { - polyChains.add(c); - } - } - } - - entityInfos = EntityFinder.findPolyEntities(polyModels); - EntityFinder.createPurelyNonPolyEntities(nonPolyModels, waterModels, entityInfos); - - - structure.setEntityInfos(entityInfos); - } - - // final sanity check: it can happen that from the annotated entities some are not linked to any chains - // e.g. 3s26: a sugar entity does not have any chains associated to it (it seems to be happening with many sugar compounds) - // we simply log it, this can sign some other problems if the entities are used down the line - for (EntityInfo e:entityInfos) { - if (e.getChains().isEmpty()) { - logger.info("Entity {} '{}' has no chains associated to it", - e.getMolId()<0?"with no entity id":e.getMolId(), e.getDescription()); - } - } - - } - - private void addCharges() { - ChargeAdder.addCharges(structure); - } - - /** - * The method will return a new reference to a Chain with any consecutive groups - * having same residue numbers removed. - * This is necessary to solve the microheterogeneity issue in entries like 3u7t (see github issue #160) - * @param c - * @return - */ - private static Chain removeSeqResHeterogeneity(Chain c) { - - Chain trimmedChain = new ChainImpl(); - - ResidueNumber lastResNum = null; - - for (Group g:c.getAtomGroups()) { - - // note we have to deep copy this, otherwise they stay linked and would get altered in addGroup(g) - ResidueNumber currentResNum = new ResidueNumber( - g.getResidueNumber().getChainName(), - g.getResidueNumber().getSeqNum(), - g.getResidueNumber().getInsCode()); - - if (lastResNum == null || !lastResNum.equals(currentResNum) ) { - trimmedChain.addGroup(g); - } else { - logger.debug("Removing seqres group because it seems to be repeated in entity_poly_seq, most likely has hetero='y': "+g); - } - - lastResNum = currentResNum; - - } - return trimmedChain; - } - - private void addBonds() { - BondMaker maker = new BondMaker(structure, params); - maker.makeBonds(); - maker.formBondsFromStructConn(structConn); - } - - private void alignSeqRes() { - - logger.debug("Parsing mode align_seqres, will align to ATOM to SEQRES sequence"); - - // fix SEQRES residue numbering for all models - - for (int model=0;model atomList = structure.getModel(model); - - for (Chain seqResChain: seqResChains){ - - // this extracts the matching atom chain from atomList - Chain atomChain = SeqRes2AtomAligner.getMatchingAtomRes(seqResChain, atomList, true); - - if (atomChain == null) { - // most likely there's no observed residues at all for the seqres chain: can't map - // e.g. 3zyb: chains with asym_id L,M,N,O,P have no observed residues - logger.info("Could not map SEQRES chain with asym_id={} to any ATOM chain. Most likely there's no observed residues in the chain.", - seqResChain.getId()); - continue; - } - - //map the atoms to the seqres... - - // we need to first clone the seqres so that they stay independent for different models - List seqResGroups = new ArrayList(); - for (int i=0;i> entityId2asymId = new HashMap<>(); - - for (StructAsym asym : structAsyms) { - - logger.debug("Entity {} matches asym_id: {}", asym.getEntity_id(), asym.getId() ); - - asymId2entityId.put(asym.getId(), asym.getEntity_id()); - - if (entityId2asymId.containsKey(asym.getEntity_id())) { - List asymIds = entityId2asymId.get(asym.getEntity_id()); - asymIds.add(asym.getId()); - } else { - List asymIds = new ArrayList<>(); - asymIds.add(asym.getId()); - entityId2asymId.put(asym.getEntity_id(), asymIds); - } - } - - if (entityPolys==null || entityPolys.isEmpty()) { - logger.info("No _entity_poly category found in file. No asym id to author id mapping will be available for header only parsing"); - return; - } - - for (EntityPoly ep:entityPolys) { - if (ep.getPdbx_strand_id()==null) { - logger.info("_entity_poly.pdbx_strand_id is null for entity {}. Won't be able to map asym ids to author ids for this entity.", ep.getEntity_id()); - continue; - } - String[] chainNames = ep.getPdbx_strand_id().split(","); - List asymIds = entityId2asymId.get(ep.getEntity_id()); - if (chainNames.length!=asymIds.size()) { - logger.warn("The list of asym ids (from _struct_asym) and the list of author ids (from _entity_poly) for entity {} have different lengths! Can't provide a mapping from asym ids to author chain ids", ep.getEntity_id()); - continue; - } - for (int i=0; i ncsOperators = new ArrayList(); - - for (StructNcsOper sNcsOper:structNcsOper) { - - if (!sNcsOper.getCode().equals("generate")) continue; - - try { - Matrix4d op = new Matrix4d(); - op.setElement(3, 0, 0.0); - op.setElement(3, 1, 0.0); - op.setElement(3, 2, 0.0); - op.setElement(3, 3, 1.0); - - - op.setElement(0, 0, Double.parseDouble(sNcsOper.getMatrix11())); - op.setElement(0, 1, Double.parseDouble(sNcsOper.getMatrix12())); - op.setElement(0, 2, Double.parseDouble(sNcsOper.getMatrix13())); - - op.setElement(1, 0, Double.parseDouble(sNcsOper.getMatrix21())); - op.setElement(1, 1, Double.parseDouble(sNcsOper.getMatrix22())); - op.setElement(1, 2, Double.parseDouble(sNcsOper.getMatrix23())); - - op.setElement(2, 0, Double.parseDouble(sNcsOper.getMatrix31())); - op.setElement(2, 1, Double.parseDouble(sNcsOper.getMatrix32())); - op.setElement(2, 2, Double.parseDouble(sNcsOper.getMatrix33())); - - op.setElement(0, 3, Double.parseDouble(sNcsOper.getVector1())); - op.setElement(1, 3, Double.parseDouble(sNcsOper.getVector2())); - op.setElement(2, 3, Double.parseDouble(sNcsOper.getVector3())); - - ncsOperators.add(op); - - } catch (NumberFormatException e) { - logger.warn("Error parsing doubles in NCS operator list, skipping operator {}", structNcsOper.indexOf(sNcsOper)+1); - } - - } - - // we only set it if not empty, otherwise remains null - if (ncsOperators.size()>0) { - structure.getCrystallographicInfo().setNcsOperators( - ncsOperators.toArray(new Matrix4d[ncsOperators.size()])); - } - } - - private void setCrystallographicInfoMetadata() { - if (parsedScaleMatrix!=null) { - - PDBCrystallographicInfo crystalInfo = structure.getCrystallographicInfo(); - - boolean nonStd = false; - if (crystalInfo.getCrystalCell()!=null && !crystalInfo.getCrystalCell().checkScaleMatrix(parsedScaleMatrix)) { - nonStd = true; - } - - crystalInfo.setNonStandardCoordFrameConvention(nonStd); - } - } - - - /** This method will return the parsed protein structure, once the parsing has been finished - * - * @return a BioJava protein structure object - */ - public Structure getStructure() { - - return structure; - } - - @Override - public void newDatabasePDBrevRecord(DatabasePdbrevRecord record) { - - PDBHeader header = structure.getPDBHeader(); - - if ( header == null) { - header = new PDBHeader(); - structure.setPDBHeader(header); - } - - List revRecords = header.getRevisionRecords(); - if ( revRecords == null) { - revRecords = new ArrayList(); - header.setRevisionRecords(revRecords); - } - revRecords.add(record); - - - } - - - @Override - public void newDatabasePDBrev(DatabasePDBrev dbrev) { - - logger.debug("got a database revision:" + dbrev); - - SimpleDateFormat dateFormat = new SimpleDateFormat("yyyy-MM-dd",Locale.US); - PDBHeader header = structure.getPDBHeader(); - - if ( header == null) { - header = new PDBHeader(); - } - - if (dbrev.getNum().equals("1")){ - - try { - Date dep = dateFormat.parse(dbrev.getDate_original()); - header.setDepDate(dep); - - } catch (ParseException e){ - logger.warn("Could not parse date string '{}', deposition date will be unavailable", dbrev.getDate_original()); - } - - try { - Date rel = dateFormat.parse(dbrev.getDate()); - header.setRelDate(rel); - - } catch (ParseException e){ - logger.warn("Could not parse date string '{}', modification date will be unavailable", dbrev.getDate()); - } - - - } else { - try { - - Date mod = dateFormat.parse(dbrev.getDate()); - header.setModDate(mod); - - } catch (ParseException e){ - logger.warn("Could not parse date string '{}', modification date will be unavailable", dbrev.getDate()); - } - } - - structure.setPDBHeader(header); - } - - @Override - public void newPdbxAuditRevisionHistory(PdbxAuditRevisionHistory history) { - - SimpleDateFormat dateFormat = new SimpleDateFormat("yyyy-MM-dd",Locale.US); - PDBHeader header = structure.getPDBHeader(); - - if ( header == null) { - header = new PDBHeader(); - } - - // first entry in revision history is the release date - if (history.getOrdinal().equals("1")){ - try { - Date releaseDate = dateFormat.parse(history.getRevision_date()); - header.setRelDate(releaseDate); - - } catch (ParseException e){ - logger.warn("Could not parse date string '{}', release date will be unavailable", history.getRevision_date()); - } - } else { - // all other dates are revision dates; - // since this method may be called multiple times, - // the last revision date will "stick" - try { - Date revisionDate = dateFormat.parse(history.getRevision_date()); - header.setModDate(revisionDate); - } catch (ParseException e){ - logger.warn("Could not parse date string '{}', revision date will be unavailable", history.getRevision_date()); - } - } - - structure.setPDBHeader(header); - } - - @Override - public void newPdbxDatabaseStatus(PdbxDatabaseStatus status) { - - // the deposition date field is only available in mmCIF 5.0 - - if (status.getRecvd_initial_deposition_date() == null) { - // skip this method for older mmCIF versions - return; - } - - SimpleDateFormat dateFormat = new SimpleDateFormat("yyyy-MM-dd",Locale.US); - PDBHeader header = structure.getPDBHeader(); - - if (header == null) { - header = new PDBHeader(); - } - - try { - Date depositionDate = dateFormat.parse(status.getRecvd_initial_deposition_date()); - header.setDepDate(depositionDate); - } catch (ParseException e){ - logger.warn("Could not parse date string '{}', deposition date will be unavailable", status.getRecvd_initial_deposition_date()); - } - - structure.setPDBHeader(header); - } - - @Override - public void newDatabasePDBremark(DatabasePDBremark remark) { - //System.out.println(remark); - String id = remark.getId(); - if (id.equals("2")){ - - //this remark field contains the resolution information: - String line = remark.getText(); - - int i = line.indexOf("ANGSTROM"); - if ( i > 5) { - // line contains ANGSTROM info... - String resolution = line.substring(i-5,i).trim(); - // convert string to float - float res = 99 ; - try { - res = Float.parseFloat(resolution); - - } catch (NumberFormatException e) { - logger.info("could not parse resolution from line and ignoring it " + line); - return ; - - - } - // support for old style header - - PDBHeader pdbHeader = structure.getPDBHeader(); - pdbHeader.setResolution(res); - - } - - } - } - - @Override - public void newRefine(Refine r){ - - PDBHeader pdbHeader = structure.getPDBHeader(); - // RESOLUTION - // in very rare cases (for instance hybrid methods x-ray + neutron diffraction, e.g. 3ins, 4n9m) - // there are 2 resolution values, one for each method - // we take the last one found so that behaviour is like in PDB file parsing - if (pdbHeader.getResolution()!=PDBHeader.DEFAULT_RESOLUTION) { - logger.warn("More than 1 resolution value present, will use last one {} and discard previous {} " - ,r.getLs_d_res_high(), String.format("%4.2f",pdbHeader.getResolution())); - } - try { - pdbHeader.setResolution(Float.parseFloat(r.getLs_d_res_high())); - } catch (NumberFormatException e){ - logger.info("Could not parse resolution from " + r.getLs_d_res_high() + " " + e.getMessage()); - } - - - // RFREE - if (pdbHeader.getRfree()!=PDBHeader.DEFAULT_RFREE) { - logger.warn("More than 1 Rfree value present, will use last one {} and discard previous {} ", - r.getLs_R_factor_R_free(), String.format("%4.2f",pdbHeader.getRfree())); - } - if (r.getLs_R_factor_R_free()==null) { - // some entries like 2ifo haven't got this field at all - logger.info("_refine.ls_R_factor_R_free not present, not parsing Rfree value"); - } else { - try { - pdbHeader.setRfree(Float.parseFloat(r.getLs_R_factor_R_free())); - } catch (NumberFormatException e){ - // no rfree present ('?') is very usual, that's why we set it to debug - logger.debug("Could not parse Rfree from string '{}'", r.getLs_R_factor_R_free()); - } - } - - // RWORK - if(pdbHeader.getRwork()!=PDBHeader.DEFAULT_RFREE) { - logger.warn("More than 1 R work value present, will use last one {} and discard previous {} ", - r.getLs_R_factor_R_work(), String.format("%4.2f",pdbHeader.getRwork())); - } - if(r.getLs_R_factor_R_work()==null){ - logger.info("_refine.ls_R_factor_R_work not present, not parsing R-work value"); - } - else{ - try{ - pdbHeader.setRwork(Float.parseFloat(r.getLs_R_factor_R_work())); - } - catch (NumberFormatException e){ - logger.debug("Could not parse R-work from string '{}'", r.getLs_R_factor_R_work()); - } - - } - - } - - - @Override - public void newAuditAuthor(AuditAuthor aa){ - - String name = aa.getName(); - - StringBuffer famName = new StringBuffer(); - StringBuffer initials = new StringBuffer(); - boolean afterComma = false; - for ( char c: name.toCharArray()) { - if ( c == ' ') - continue; - if ( c == ','){ - afterComma = true; - continue; - } - - if ( afterComma) - initials.append(c); - else - famName.append(c); - } - - StringBuffer newaa = new StringBuffer(); - newaa.append(initials); - newaa.append(famName); - - PDBHeader header = structure.getPDBHeader(); - String auth = header.getAuthors(); - if (auth == null) { - header.setAuthors(newaa.toString()); - }else { - auth += "," + newaa.toString(); - header.setAuthors(auth); - - } - } - - @Override - public void newExptl(Exptl exptl) { - - PDBHeader pdbHeader = structure.getPDBHeader(); - String method = exptl.getMethod(); - pdbHeader.setExperimentalTechnique(method); - - } - - @Override - public void newCell(Cell cell) { - - try { - float a = Float.parseFloat(cell.getLength_a()); - float b = Float.parseFloat(cell.getLength_b()); - float c = Float.parseFloat(cell.getLength_c()); - float alpha = Float.parseFloat(cell.getAngle_alpha()); - float beta = Float.parseFloat(cell.getAngle_beta()); - float gamma = Float.parseFloat(cell.getAngle_gamma()); - - CrystalCell xtalCell = new CrystalCell(); - xtalCell.setA(a); - xtalCell.setB(b); - xtalCell.setC(c); - xtalCell.setAlpha(alpha); - xtalCell.setBeta(beta); - xtalCell.setGamma(gamma); - - if (!xtalCell.isCellReasonable()) { - // If the entry describes a structure determined by a technique other than X-ray crystallography, - // cell is (sometimes!) a = b = c = 1.0, alpha = beta = gamma = 90 degrees - // if so we don't add and CrystalCell will be null - logger.debug("The crystal cell read from file does not have reasonable dimensions (at least one dimension is below {}), discarding it.", - CrystalCell.MIN_VALID_CELL_SIZE); - return; - } - - structure.getPDBHeader().getCrystallographicInfo().setCrystalCell(xtalCell); - - } catch (NumberFormatException e){ - structure.getPDBHeader().getCrystallographicInfo().setCrystalCell(null); - logger.info("could not parse some cell parameters ("+e.getMessage()+"), ignoring _cell "); - } - } - - @Override - public void newSymmetry(Symmetry symmetry) { - String spaceGroup = symmetry.getSpace_group_name_H_M(); - SpaceGroup sg = SymoplibParser.getSpaceGroup(spaceGroup); - if (sg==null) { - logger.warn("Space group '"+spaceGroup+"' not recognised as a standard space group"); - structure.getPDBHeader().getCrystallographicInfo().setNonStandardSg(true); - } else { - structure.getPDBHeader().getCrystallographicInfo().setSpaceGroup(sg); - structure.getPDBHeader().getCrystallographicInfo().setNonStandardSg(false); - } - } - - @Override - public void newStructNcsOper(StructNcsOper sNcsOper) { - structNcsOper.add(sNcsOper); - } - - public void newAtomSites(AtomSites atomSites) { - - try { - Matrix4d m = new Matrix4d( - Double.parseDouble(atomSites.getFract_transf_matrix11()), Double.parseDouble(atomSites.getFract_transf_matrix12()), Double.parseDouble(atomSites.getFract_transf_matrix13()), Double.parseDouble(atomSites.getFract_transf_vector1()), - Double.parseDouble(atomSites.getFract_transf_matrix21()), Double.parseDouble(atomSites.getFract_transf_matrix22()), Double.parseDouble(atomSites.getFract_transf_matrix23()), Double.parseDouble(atomSites.getFract_transf_vector2()), - Double.parseDouble(atomSites.getFract_transf_matrix31()), Double.parseDouble(atomSites.getFract_transf_matrix32()), Double.parseDouble(atomSites.getFract_transf_matrix33()), Double.parseDouble(atomSites.getFract_transf_vector3()), - 0,0,0,1); - - parsedScaleMatrix = m; - - } catch (NumberFormatException e) { - logger.warn("Some values in _atom_sites.fract_transf_matrix or _atom_sites.fract_transf_vector could not be parsed as numbers. Can't check whether coordinate frame convention is correct! Error: {}", e.getMessage()); - structure.getPDBHeader().getCrystallographicInfo().setNonStandardCoordFrameConvention(false); - - // in this case parsedScaleMatrix stays null and can't be used in documentEnd() - } - } - - @Override - public void newStructRef(StructRef sref) { - logger.debug(sref.toString()); - strucRefs.add(sref); - } - - private StructRef getStructRef(String ref_id){ - for (StructRef structRef : strucRefs) { - - if (structRef.getId().equals(ref_id)){ - return structRef; - } - - } - return null; - - } - - /** - * create a DBRef record from the StrucRefSeq record: - * 

      -	 * PDB record                    DBREF
-	 * Field Name                    mmCIF Data Item
-	 * Section                       n.a.
-	 * PDB_ID_Code                   _struct_ref_seq.pdbx_PDB_id_code
-	 * Strand_ID                     _struct_ref_seq.pdbx_strand_id
-	 * Begin_Residue_Number          _struct_ref_seq.pdbx_auth_seq_align_beg
-	 * Begin_Ins_Code                _struct_ref_seq.pdbx_seq_align_beg_ins_code
-	 * End_Residue_Number            _struct_ref_seq.pdbx_auth_seq_align_end
-	 * End_Ins_Code                  _struct_ref_seq.pdbx_seq_align_end_ins_code
-	 * Database                      _struct_ref.db_name
-	 * Database_Accession_No         _struct_ref_seq.pdbx_db_accession
-	 * Database_ID_Code              _struct_ref.db_code
-	 * Database_Begin_Residue_Number _struct_ref_seq.db_align_beg
-	 * Databaes_Begin_Ins_Code       _struct_ref_seq.pdbx_db_align_beg_ins_code
-	 * Database_End_Residue_Number   _struct_ref_seq.db_align_end
-	 * Databaes_End_Ins_Code         _struct_ref_seq.pdbx_db_align_end_ins_code
-	 *
      - * - * - */ - @Override - public void newStructRefSeq(StructRefSeq sref) { - DBRef r = new DBRef(); - - r.setIdCode(sref.getPdbx_PDB_id_code()); - r.setDbAccession(sref.getPdbx_db_accession()); - r.setDbIdCode(sref.getPdbx_db_accession()); - - r.setChainName(sref.getPdbx_strand_id()); - StructRef structRef = getStructRef(sref.getRef_id()); - if (structRef == null){ - logger.info("could not find StructRef " + sref.getRef_id() + " for StructRefSeq " + sref); - } else { - r.setDatabase(structRef.getDb_name()); - r.setDbIdCode(structRef.getDb_code()); - } - - int seqbegin; - int seqend; - try{ - seqbegin = Integer.parseInt(sref.getPdbx_auth_seq_align_beg()); - seqend = Integer.parseInt(sref.getPdbx_auth_seq_align_end()); - } - catch(NumberFormatException e){ - // this happens in a few entries, annotation error? e.g. 6eoj - logger.warn("Couldn't parse pdbx_auth_seq_align_beg/end in _struct_ref_seq. Will not store dbref alignment info for accession {}. Error: {}", r.getDbAccession(), e.getMessage()); - return; - } - - Character begin_ins_code = ' '; - if (sref.getPdbx_seq_align_beg_ins_code() != null ) { - begin_ins_code = new Character(sref.getPdbx_seq_align_beg_ins_code().charAt(0)); - } - - Character end_ins_code = ' '; - if (sref.getPdbx_seq_align_end_ins_code() != null) { - end_ins_code = new Character(sref.getPdbx_seq_align_end_ins_code().charAt(0)); - } - - if (begin_ins_code == '?') - begin_ins_code = ' '; - - if (end_ins_code == '?') - end_ins_code = ' '; - - r.setSeqBegin(seqbegin); - r.setInsertBegin(begin_ins_code); - - r.setSeqEnd(seqend); - r.setInsertEnd(end_ins_code); - - int dbseqbegin = Integer.parseInt(sref.getDb_align_beg()); - int dbseqend = Integer.parseInt(sref.getDb_align_end()); - - Character db_begin_in_code = ' '; - if (sref.getPdbx_db_align_beg_ins_code() != null) { - db_begin_in_code = new Character(sref.getPdbx_db_align_beg_ins_code().charAt(0)); - } - - Character db_end_in_code = ' '; - if (sref.getPdbx_db_align_end_ins_code() != null) { - db_end_in_code = new Character(sref.getPdbx_db_align_end_ins_code().charAt(0)); - } - - if (db_begin_in_code == '?') - db_begin_in_code = ' '; - - if (db_end_in_code == '?') - db_end_in_code = ' '; - - - r.setDbSeqBegin(dbseqbegin); - r.setIdbnsBegin(db_begin_in_code); - - r.setDbSeqEnd(dbseqend); - r.setIdbnsEnd(db_end_in_code); - - List dbrefs = structure.getDBRefs(); - if ( dbrefs == null) - dbrefs = new ArrayList(); - dbrefs.add(r); - - logger.debug(r.toPDB()); - - structure.setDBRefs(dbrefs); - - } - - @Override - public void newStructRefSeqDif(StructRefSeqDif sref) { - sequenceDifs.add(sref); - } - - private Chain getEntityChain(String entity_id){ - - for (Chain chain : entityChains) { - if ( chain.getId().equals(entity_id)){ - - return chain; - } - } - // does not exist yet, so create... - - Chain chain = new ChainImpl(); - chain.setId(entity_id); - entityChains.add(chain); - - return chain; - - } - - //private Chain getSeqResChain(String chainID){ - // return getChainFromList(seqResChains, chainID); - //} - - - /** - * Data items in the ENTITY_SRC_GEN category record details of - * the source from which the entity was obtained in cases - * where the source was genetically manipulated. The - * following are treated separately: items pertaining to the tissue - * from which the gene was obtained, items pertaining to the host - * organism for gene expression and items pertaining to the actual - * producing organism (plasmid). - */ - @Override - public void newEntitySrcGen(EntitySrcGen entitySrcGen){ - - // add to internal list. Map to Compound object later on... - entitySrcGens.add(entitySrcGen); - } - - @Override - public void newEntitySrcNat(EntitySrcNat entitySrcNat){ - - // add to internal list. Map to Compound object later on... - entitySrcNats.add(entitySrcNat); - } - - @Override - public void newEntitySrcSyn(EntitySrcSyn entitySrcSyn){ - - // add to internal list. Map to Compound object later on... - entitySrcSyns.add(entitySrcSyn); - } - - /** - * The EntityPolySeq object provide the amino acid sequence objects for the Entities. - * Later on the entities are mapped to the BioJava {@link Chain} and {@link EntityInfo} objects. - * @param epolseq the EntityPolySeq record for one amino acid - */ - @Override - public void newEntityPolySeq(EntityPolySeq epolseq) { - - logger.debug("NEW entity poly seq " + epolseq); - - int eId = -1; - try { - eId = Integer.parseInt(epolseq.getEntity_id()); - } catch (NumberFormatException e) { - logger.warn("Could not parse entity id from EntityPolySeq: "+e.getMessage()); - } - Entity e = getEntity(eId); - - if (e == null){ - logger.info("Could not find entity "+ epolseq.getEntity_id()+". Can not match sequence to it."); - return; - } - - Chain entityChain = getEntityChain(epolseq.getEntity_id()); - - // first we check through the chemcomp provider, if it fails we do some heuristics to guess the type of group - // TODO some of this code is analogous to getNewGroup() and we should try to unify them - JD 2016-03-08 - - Group g = ChemCompGroupFactory.getGroupFromChemCompDictionary(epolseq.getMon_id()); - //int seqId = Integer.parseInt(epolseq.getNum()); - if ( g != null && !g.getChemComp().isEmpty()) { - if ( g instanceof AminoAcidImpl) { - AminoAcidImpl aa = (AminoAcidImpl) g; - aa.setRecordType(AminoAcid.SEQRESRECORD); - //aa.setId(seqId); - } - } else { - - if (epolseq.getMon_id().length()==3 && StructureTools.get1LetterCodeAmino(epolseq.getMon_id())!=null){ - AminoAcidImpl a = new AminoAcidImpl(); - a.setRecordType(AminoAcid.SEQRESRECORD); - Character code1 = StructureTools.get1LetterCodeAmino(epolseq.getMon_id()); - a.setAminoType(code1); - g = a; - - } else if ( StructureTools.isNucleotide(epolseq.getMon_id())) { - // the group is actually a nucleotide group... - NucleotideImpl n = new NucleotideImpl(); - g = n; - - } else { - logger.debug("Residue {} {} is not a standard aminoacid or nucleotide, will create a het group for it", epolseq.getNum(),epolseq.getMon_id()); - HetatomImpl h = new HetatomImpl(); - g = h; - - } - - - } - // at this stage we don't know about author residue numbers (insertion codes) - // we abuse now the ResidueNumber field setting the internal residue numbers (label_seq_id, strictly sequential and follow the seqres sequence 1 to n) - // later the actual ResidueNumbers (author residue numbers) have to be corrected in alignSeqRes() - g.setResidueNumber(ResidueNumber.fromString(epolseq.getNum())); - - g.setPDBName(epolseq.getMon_id()); - - entityChain.addGroup(g); - - } - - @Override - public void newPdbxPolySeqScheme(PdbxPolySeqScheme ppss) { - - //if ( headerOnly) - // return; - - // replace the group asym ids with the real PDB ids! - // replaceGroupSeqPos(ppss); // This might be incorrect in some pdb, to use auth_seq_id of the pdbx_poly_seq_scheme. - - - } - - - @Override - public void newPdbxNonPolyScheme(PdbxNonPolyScheme ppss) { - - //if (headerOnly) - // return; - - // merge the EntityPolySeq info and the AtomSite chains into one... - //already known ignore: - - } - - @Override - public void newPdbxEntityNonPoly(PdbxEntityNonPoly pen){ - // TODO: do something with them... - // not implemented yet... - logger.debug(pen.getEntity_id() + " " + pen.getName() + " " + pen.getComp_id()); - - } - - @Override - public void newChemComp(ChemComp c) { - // TODO: do something with them... - - } - - @Override - public void newGenericData(String category, List loopFields, - List lineData) { - - //logger.debug("unhandled category so far: " + category); - } - - @Override - public FileParsingParameters getFileParsingParameters() - { - return params; - } - - @Override - public void setFileParsingParameters(FileParsingParameters params) - { - this.params = params; - - } - - @Override - public void newChemCompDescriptor(ChemCompDescriptor ccd) { - - // TODO nothing happening here yet. - - } - - - - public List getStructOpers() { - return structOpers; - } - - @Override - public void newPdbxStrucAssembly(PdbxStructAssembly strucAssembly) { - strucAssemblies.add(strucAssembly); - - } - - public List getStructAssemblies(){ - return strucAssemblies; - } - - @Override - public void newPdbxStrucAssemblyGen(PdbxStructAssemblyGen strucAssembly) { - strucAssemblyGens.add(strucAssembly); - - } - - public List getStructAssemblyGens(){ - return strucAssemblyGens; - } - - @Override - public void newChemCompAtom(ChemCompAtom atom) { - - } - - @Override - public void newPdbxChemCompIndentifier(PdbxChemCompIdentifier id) { - - } - - @Override - public void newChemCompBond(ChemCompBond bond) { - - } - - @Override - public void newPdbxChemCompDescriptor(PdbxChemCompDescriptor desc) { - - } - - @Override - public void newStructConn(StructConn structConn) { - this.structConn.add(structConn); - } - - @Override - public void newStructSiteGen(StructSiteGen siteGen) { this.structSiteGens.add(siteGen); } - - @Override - public void newStructSite(StructSite structSite) { - - if (params.isHeaderOnly()) { - return; - } - - // Simply implement the method. - List sites = structure.getSites(); - if (sites == null) sites = new ArrayList(); - - Site site = null; - for (Site asite : sites) { - if (asite.getSiteID().equals(structSite.getId())) { - site = asite; // Prevent duplicate siteIds - } - } - boolean addSite = false; - if (site == null) { site = new Site(); addSite = true; } - site.setSiteID(structSite.getId()); - site.setDescription(structSite.getDetails()); - // site.setPdbxEvidenceCode(structSite.getPdbxEvidenceCode()); // TODO - add addition fields in Sites - if (addSite) sites.add(site); - - structure.setSites(sites); - } - - /** - * Build sites in a BioJava Structure using the original author chain id & residue numbers. - * Sites are built from struct_site_gen records that have been parsed. - */ - private void addSites() { - List sites = structure.getSites(); - if (sites == null) sites = new ArrayList(); - - for (StructSiteGen siteGen : structSiteGens) { - // For each StructSiteGen, find the residues involved, if they exist then - String site_id = siteGen.getSite_id(); // multiple could be in same site. - if (site_id == null) site_id = ""; - String comp_id = siteGen.getLabel_comp_id(); // PDBName - - // Assumption: the author chain ID and residue number for the site is consistent with the original - // author chain id and residue numbers. - - String asymId = siteGen.getLabel_asym_id(); // chain name - String authId = siteGen.getAuth_asym_id(); // chain Id - String auth_seq_id = siteGen.getAuth_seq_id(); // Res num - - String insCode = siteGen.getPdbx_auth_ins_code(); - if ( insCode != null && insCode.equals("?")) - insCode = null; - - // Look for asymID = chainID and seqID = seq_ID. Check that comp_id matches the resname. - Group g = null; - try { - Chain chain = structure.getChain(asymId); - - if (null != chain) { - try { - Character insChar = null; - if (null != insCode && insCode.length() > 0) insChar = insCode.charAt(0); - g = chain.getGroupByPDB(new ResidueNumber(null, Integer.parseInt(auth_seq_id), insChar)); - } catch (NumberFormatException e) { - logger.warn("Could not lookup residue : " + authId + auth_seq_id); - } - } - } catch (StructureException e) { - logger.warn("Problem finding residue in site entry " + siteGen.getSite_id() + " - " + e.getMessage(), e.getMessage()); - } - - if (g != null) { - // 2. find the site_id, if not existing, create anew. - Site site = null; - for (Site asite: sites) { - if (site_id.equals(asite.getSiteID())) site = asite; - } - - boolean addSite = false; - - // 3. add this residue to the site. - if (site == null) { - addSite = true; - site = new Site(); - site.setSiteID(site_id); - } - - List groups = site.getGroups(); - if (groups == null) groups = new ArrayList(); - - // Check the self-consistency of the residue reference from auth_seq_id and chain_id - if (!comp_id.equals(g.getPDBName())) { - logger.warn("comp_id doesn't match the residue at " + authId + " " + auth_seq_id + " - skipping"); - } else { - groups.add(g); - site.setGroups(groups); - } - if (addSite) sites.add(site); - } - } - structure.setSites(sites); - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/SimpleMMcifParser.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/SimpleMMcifParser.java deleted file mode 100644 index 7e9b23d3c2..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/SimpleMMcifParser.java +++ /dev/null @@ -1,1281 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Mar 4, 2008 - */ -package org.biojava.nbio.structure.io.mmcif; - -import java.io.BufferedReader; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; -import java.lang.reflect.Field; -import java.lang.reflect.InvocationTargetException; -import java.lang.reflect.Method; -import java.util.ArrayList; -import java.util.HashMap; -import java.util.HashSet; -import java.util.List; -import java.util.Map; -import java.util.Set; - - -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.io.MMCIFFileReader; -import org.biojava.nbio.structure.io.StructureIOFile; -import org.biojava.nbio.structure.io.mmcif.model.AtomSite; -import org.biojava.nbio.structure.io.mmcif.model.AtomSites; -import org.biojava.nbio.structure.io.mmcif.model.AuditAuthor; -import org.biojava.nbio.structure.io.mmcif.model.CIFLabel; -import org.biojava.nbio.structure.io.mmcif.model.Cell; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; -import org.biojava.nbio.structure.io.mmcif.model.ChemCompAtom; -import org.biojava.nbio.structure.io.mmcif.model.ChemCompBond; -import org.biojava.nbio.structure.io.mmcif.model.ChemCompDescriptor; -import org.biojava.nbio.structure.io.mmcif.model.DatabasePDBremark; -import org.biojava.nbio.structure.io.mmcif.model.DatabasePDBrev; -import org.biojava.nbio.structure.io.mmcif.model.DatabasePdbrevRecord; -import org.biojava.nbio.structure.io.mmcif.model.Entity; -import org.biojava.nbio.structure.io.mmcif.model.EntityPoly; -import org.biojava.nbio.structure.io.mmcif.model.EntityPolySeq; -import org.biojava.nbio.structure.io.mmcif.model.EntitySrcGen; -import org.biojava.nbio.structure.io.mmcif.model.EntitySrcNat; -import org.biojava.nbio.structure.io.mmcif.model.EntitySrcSyn; -import org.biojava.nbio.structure.io.mmcif.model.Exptl; -import org.biojava.nbio.structure.io.mmcif.model.IgnoreField; -import org.biojava.nbio.structure.io.mmcif.model.PdbxAuditRevisionHistory; -import org.biojava.nbio.structure.io.mmcif.model.PdbxChemCompDescriptor; -import org.biojava.nbio.structure.io.mmcif.model.PdbxChemCompIdentifier; -import org.biojava.nbio.structure.io.mmcif.model.PdbxDatabaseStatus; -import org.biojava.nbio.structure.io.mmcif.model.PdbxEntityNonPoly; -import org.biojava.nbio.structure.io.mmcif.model.PdbxNonPolyScheme; -import org.biojava.nbio.structure.io.mmcif.model.PdbxPolySeqScheme; -import org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssembly; -import org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssemblyGen; -import org.biojava.nbio.structure.io.mmcif.model.PdbxStructOperList; -import org.biojava.nbio.structure.io.mmcif.model.Refine; -import org.biojava.nbio.structure.io.mmcif.model.Struct; -import org.biojava.nbio.structure.io.mmcif.model.StructAsym; -import org.biojava.nbio.structure.io.mmcif.model.StructConn; -import org.biojava.nbio.structure.io.mmcif.model.StructKeywords; -import org.biojava.nbio.structure.io.mmcif.model.StructNcsOper; -import org.biojava.nbio.structure.io.mmcif.model.StructRef; -import org.biojava.nbio.structure.io.mmcif.model.StructRefSeq; -import org.biojava.nbio.structure.io.mmcif.model.StructRefSeqDif; -import org.biojava.nbio.structure.io.mmcif.model.StructSite; -import org.biojava.nbio.structure.io.mmcif.model.StructSiteGen; -import org.biojava.nbio.structure.io.mmcif.model.Symmetry; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -/** - * A simple mmCif file parser - * - * - * Usage: - * 
      -String file = "path/to/mmcif/file";
-StructureIOFile pdbreader = new MMCIFFileReader();
-
-Structure s = pdbreader.getStructure(file);
-System.out.println(s);
-
-// you can convert it to a PDB file...
-System.out.println(s.toPDB());
-
- *
      - * For more documentation see http://biojava.org/wiki/BioJava:CookBook#Protein_Structure. - * - * @author Andreas Prlic - * @author Jose Duarte - * @since 1.7 - */ -public class SimpleMMcifParser implements MMcifParser { - - - - /** - * The header appearing at the beginning of a mmCIF file. - * A "block code" can be added to it of no more than 32 chars. - * See http://www.iucr.org/__data/assets/pdf_file/0019/22618/cifguide.pdf - */ - public static final String MMCIF_TOP_HEADER = "data_"; - - public static final String COMMENT_CHAR = "#"; - public static final String LOOP_START = "loop_"; - public static final String FIELD_LINE = "_"; - - // the following are the 3 valid quoting characters in CIF - /** - * Quoting character ' - */ - private static final char S1 = '\''; - - /** - * Quoting character " - */ - private static final char S2 = '\"'; - - /** - * Quoting character ; (multi-line quoting) - */ - public static final String STRING_LIMIT = ";"; - - - private List consumers ; - - private Struct struct ; - - private static final Logger logger = LoggerFactory.getLogger(SimpleMMcifParser.class); - - public SimpleMMcifParser(){ - consumers = new ArrayList(); - struct = null; - } - - @Override - public void addMMcifConsumer(MMcifConsumer consumer) { - consumers.add(consumer); - - } - - @Override - public void clearConsumers() { - consumers.clear(); - - } - - @Override - public void removeMMcifConsumer(MMcifConsumer consumer) { - consumers.remove(consumer); - } - - public static void main(String[] args){ - String file = "/Users/andreas/WORK/PDB/mmCif/a9/1a9n.cif.gz"; - //String file = "/Users/andreas/WORK/PDB/MMCIF/1gav.mmcif"; - //String file = "/Users/andreas/WORK/PDB/MMCIF/100d.cif"; - //String file = "/Users/andreas/WORK/PDB/MMCIF/1a4a.mmcif"; - System.out.println("parsing " + file); - - StructureIOFile pdbreader = new MMCIFFileReader(); - try { - Structure s = pdbreader.getStructure(file); - System.out.println(s); - // convert it to a PDB file... - System.out.println(s.toPDB()); - } catch (IOException e) { - e.printStackTrace(); - } - - } - - @Override - public void parse(InputStream inStream) throws IOException { - parse(new BufferedReader(new InputStreamReader(inStream))); - - } - - @Override - public void parse(BufferedReader buf) - throws IOException { - - triggerDocumentStart(); - - - // init container objects... - struct = new Struct(); - String line = null; - - boolean inLoop = false; - boolean inLoopData = false; - - - List loopFields = new ArrayList(); - List lineData = new ArrayList(); - Set loopWarnings = new HashSet(); // used only to reduce logging statements - - String category = null; - - boolean foundHeader = false; - - while ( (line = buf.readLine ()) != null ){ - - if (line.isEmpty() || line.startsWith(COMMENT_CHAR)) continue; - - if (!foundHeader) { - // the first non-comment line is a data_PDBCODE line, test if this looks like a mmcif file - if (line.startsWith(MMCIF_TOP_HEADER)){ - foundHeader = true; - continue; - } else { - triggerDocumentEnd(); - throw new IOException("This does not look like a valid mmCIF file! The first line should start with 'data_', but is: '" + line+"'"); - } - } - - logger.debug(inLoop + " " + line); - - if (line.startsWith(MMCIF_TOP_HEADER)){ - // either first line in file, or beginning of new section (data block in CIF parlance) - if ( inLoop) { - //System.out.println("new data and in loop: " + line); - inLoop = false; - inLoopData = false; - lineData.clear(); - loopFields.clear(); - } - - } - - - if ( inLoop) { - - - if ( line.startsWith(LOOP_START)){ - loopFields.clear(); - inLoop = true; - inLoopData = false; - continue; - } - - if ( line.matches("\\s*"+FIELD_LINE+"\\w+.*")) { - - if (inLoopData && line.startsWith(FIELD_LINE)) { - logger.debug("Found a field line after reading loop data. Toggling to inLoop=false"); - inLoop = false; - inLoopData = false; - loopFields.clear(); - - - // a boring normal line - List data = processLine(line, buf, 2); - - if ( data.size() < 1){ - // this can happen if empty lines at end of file - lineData.clear(); - continue; - } - String key = data.get(0); - int pos = key.indexOf("."); - if ( pos < 0 ) { - // looks like a chem_comp file - // line should start with data, otherwise something is wrong! - if (! line.startsWith(MMCIF_TOP_HEADER)){ - logger.warn("This does not look like a valid mmCIF file! The first line should start with 'data_', but is '" + line+"'"); - triggerDocumentEnd(); - return; - } - // ignore the first line... - category=null; - lineData.clear(); - continue; - } - category = key.substring(0,pos); - String value = data.get(1); - loopFields.add(key.substring(pos+1,key.length())); - lineData.add(value); - - logger.debug("Found data for category {}: {}", key, value); - continue; - } - - // found another field. - String txt = line.trim(); - if ( txt.indexOf('.') > -1){ - - String[] spl = txt.split("\\."); - category = spl[0]; - String attribute = spl[1]; - loopFields.add(attribute); - logger.debug("Found category: {}, attribute: {}",category, attribute); - if ( spl.length > 2){ - logger.warn("Found nested attribute in {}, not supported yet!",txt); - } - - } else { - category = txt; - logger.debug("Found category without attribute: {}",category); - } - - - } else { - - // in loop and we found a data line - lineData = processLine(line, buf, loopFields.size()); - logger.debug("Found a loop data line with {} data fields", lineData.size()); - logger.debug("Data fields: {}", lineData.toString()); - if ( lineData.size() != loopFields.size()){ - logger.warn("Expected {} data fields, but found {} in line: {}",loopFields.size(),lineData.size(),line); - - } - - endLineChecks(category, loopFields, lineData, loopWarnings); - - lineData.clear(); - - inLoopData = true; - } - - } else { - // not in loop - - if ( line.startsWith(LOOP_START)){ - if ( category != null) - endLineChecks(category, loopFields, lineData, loopWarnings); - - resetBuffers(loopFields, lineData, loopWarnings); - category = null; - inLoop = true; - inLoopData = false; - logger.debug("Detected LOOP_START: '{}'. Toggling to inLoop=true", LOOP_START); - continue; - } else { - logger.debug("Normal line "); - inLoop = false; - - // a boring normal line - List data = processLine(line, buf, 2); - - if ( data.size() < 1){ - // this can happen if empty lines at end of file - lineData.clear(); - continue; - } - String key = data.get(0); - int pos = key.indexOf("."); - if ( pos < 0 ) { - // looks like a chem_comp file - // line should start with data, otherwise something is wrong! - if (! line.startsWith(MMCIF_TOP_HEADER)){ - logger.warn("This does not look like a valid mmCIF file! The first line should start with 'data_', but is '" + line+"'"); - triggerDocumentEnd(); - return; - } - // ignore the first line... - category=null; - lineData.clear(); - continue; - } - - if (category!=null && !key.substring(0,pos).equals(category)) { - // we've changed category: need to flush the previous one - endLineChecks(category, loopFields, lineData, loopWarnings); - resetBuffers(loopFields, lineData, loopWarnings); - } - - category = key.substring(0,pos); - - String value = data.get(1); - loopFields.add(key.substring(pos+1,key.length())); - lineData.add(value); - - logger.debug("Found data for category {}: {}", key, value); - - } - } - } - - if (category!=null && lineData.size()>0 && lineData.size()==loopFields.size()) { - // the last category in the file will still be missing, we add it now - endLineChecks(category, loopFields, lineData, loopWarnings); - resetBuffers(loopFields, lineData, loopWarnings); - } - - if (struct != null){ - triggerStructData(struct); - } - - triggerDocumentEnd(); - - } - - private void resetBuffers(List loopFields, List lineData, Set loopWarnings) { - loopFields.clear(); - lineData.clear(); - loopWarnings.clear(); - } - - private List processSingleLine(String line){ - - List data = new ArrayList(); - - if ( line.trim().length() == 0){ - return data; - } - - if ( line.trim().length() == 1){ - if ( line.startsWith(STRING_LIMIT)) - return data; - } - boolean inString = false; // semicolon (;) quoting - boolean inS1 = false; // single quote (') quoting - boolean inS2 = false; // double quote (") quoting - String word = ""; - - for (int i=0; i< line.length(); i++ ){ - - Character c = line.charAt(i); - - Character nextC = null; - if (i < line.length() - 1) - nextC = line.charAt(i+1); - - Character prevC = null; - if (i>0) - prevC = line.charAt(i-1); - - if (c == ' ') { - - if ( ! inString){ - if ( ! word.equals("")) - data.add(word.trim()); - word = ""; - } else { - // we are in a string, add the space - word += c; - } - - } else if (c == S1 ) { - - if ( inString){ - - boolean wordEnd = false; - if (! inS2) { - if (nextC==null || Character.isWhitespace(nextC)){ - i++; - wordEnd = true; - } - } - - - if ( wordEnd ) { - - // at end of string - if ( ! word.equals("")) - data.add(word.trim()); - word = ""; - inString = false; - inS1 = false; - } else { - word += c; - } - - } else if (prevC==null || prevC==' ') { - // the beginning of a new string - inString = true; - inS1 = true; - } else { - word += c; - } - } else if ( c == S2 ){ - if ( inString){ - - boolean wordEnd = false; - if (! inS1) { - if (nextC==null || Character.isWhitespace(nextC)){ - i++; - wordEnd = true; - } - } - - if ( wordEnd ) { - - // at end of string - if ( ! word.equals("")) - data.add(word.trim()); - word = ""; - inString = false; - inS2 = false; - } else { - word += c; - } - } else if (prevC==null || prevC==' ') { - // the beginning of a new string - inString = true; - inS2 = true; - } else { - word += c; - } - } else { - word += c; - } - - } - if ( ! word.trim().equals("")) - data.add(word); - - - return data; - - } - - /** - * Get the content of a cif entry - * - * @param line - * @param buf - * @return - */ - private List processLine(String line, - BufferedReader buf, - int fieldLength) - throws IOException{ - - //System.out.println("XX processLine " + fieldLength + " " + line); - // go through the line and process each character - List lineData = new ArrayList(); - - boolean inString = false; - - StringBuilder bigWord = null; - - while ( true ){ - - if ( line.startsWith(STRING_LIMIT)){ - if (! inString){ - - inString = true; - if ( line.length() > 1) - bigWord = new StringBuilder(line.substring(1)); - else - bigWord = new StringBuilder(""); - - - } else { - // the end of a word - lineData.add(bigWord.toString()); - bigWord = null; - inString = false; - - } - } else { - if ( inString ) - bigWord.append(line); - else { - - List dat = processSingleLine(line); - - for (String d : dat){ - lineData.add(d); - } - } - } - - //System.out.println("in process line : " + lineData.size() + " " + fieldLength); - - if ( lineData.size() > fieldLength){ - - logger.warn("wrong data length ("+lineData.size()+ - ") should be ("+fieldLength+") at line " + line + " got lineData: " + lineData); - return lineData; - } - - if ( lineData.size() == fieldLength) - return lineData; - - - line = buf.readLine(); - if ( line == null) - break; - } - return lineData; - - } - - - - private void endLineChecks(String category,List loopFields, List lineData, Set loopWarnings ) throws IOException{ - - logger.debug("Processing category {}, with fields: {}",category,loopFields.toString()); - // System.out.println("parsed the following data: " +category + " fields: "+ - // loopFields + " DATA: " + - // lineData); - - if ( loopFields.size() != lineData.size()){ - logger.warn("looks like we got a problem with nested string quote characters:"); - throw new IOException("data length ("+ lineData.size() + - ") != fields length ("+loopFields.size()+ - ") category: " +category + " fields: "+ - loopFields + " DATA: " + - lineData ); - } - - if ( category.equals("_entity")){ - - Entity e = (Entity) buildObject( - Entity.class.getName(), - loopFields,lineData, loopWarnings); - triggerNewEntity(e); - - } else if (category.equals("_entity_poly")) { - EntityPoly ep = (EntityPoly) buildObject(EntityPoly.class.getName(), loopFields, lineData, loopWarnings); - triggerNewEntityPoly(ep); - - } else if ( category.equals("_struct")){ - - struct = (Struct) buildObject( - Struct.class.getName(), - loopFields, lineData, loopWarnings); - - } else if ( category.equals("_atom_site")){ - - AtomSite a = (AtomSite) buildObject( - AtomSite.class.getName(), - loopFields, lineData, loopWarnings); - triggerNewAtomSite(a); - - } else if ( category.equals("_database_PDB_rev")){ - DatabasePDBrev dbrev = (DatabasePDBrev) buildObject( - DatabasePDBrev.class.getName(), - loopFields, lineData, loopWarnings); - - triggerNewDatabasePDBrev(dbrev); - - } else if ( category.equals("_database_PDB_rev_record")){ - DatabasePdbrevRecord dbrev = (DatabasePdbrevRecord) buildObject( - DatabasePdbrevRecord.class.getName(), - loopFields, lineData, loopWarnings); - - triggerNewDatabasePDBrevRecord(dbrev); - - // MMCIF version 5 dates - } else if ( category.equals("_pdbx_audit_revision_history")) { - PdbxAuditRevisionHistory history = (PdbxAuditRevisionHistory) buildObject( - PdbxAuditRevisionHistory.class.getName(), - loopFields, lineData, loopWarnings); - - triggerNewPdbxAuditRevisionHistory(history); - - // MMCIF version 5 dates - } else if ( category.equals("_pdbx_database_status")) { - PdbxDatabaseStatus status = (PdbxDatabaseStatus) buildObject( - PdbxDatabaseStatus.class.getName(), - loopFields, lineData, loopWarnings); - - triggerNewPdbxDatabaseStatus(status); - - }else if ( category.equals("_database_PDB_remark")){ - DatabasePDBremark remark = (DatabasePDBremark) buildObject( - DatabasePDBremark.class.getName(), - loopFields, lineData, loopWarnings); - - triggerNewDatabasePDBremark(remark); - - } else if ( category.equals("_exptl")){ - Exptl exptl = (Exptl) buildObject( - Exptl.class.getName(), - loopFields,lineData, loopWarnings); - - triggerExptl(exptl); - - } else if ( category.equals("_cell")){ - Cell cell = (Cell) buildObject( - Cell.class.getName(), - loopFields,lineData, loopWarnings); - - triggerNewCell(cell); - - } else if ( category.equals("_symmetry")){ - Symmetry symmetry = (Symmetry) buildObject( - Symmetry.class.getName(), - loopFields,lineData, loopWarnings); - - triggerNewSymmetry(symmetry); - } else if ( category.equals("_struct_ncs_oper")) { - - StructNcsOper sNcsOper = (StructNcsOper) buildObject( - StructNcsOper.class.getName(), - loopFields, lineData, loopWarnings); - triggerNewStructNcsOper(sNcsOper); - } else if ( category.equals("_atom_sites")) { - - AtomSites atomSites = (AtomSites) buildObject( - AtomSites.class.getName(), - loopFields, lineData, loopWarnings); - triggerNewAtomSites(atomSites); - - } else if ( category.equals("_struct_ref")){ - StructRef sref = (StructRef) buildObject( - StructRef.class.getName(), - loopFields,lineData, loopWarnings); - - triggerNewStrucRef(sref); - - } else if ( category.equals("_struct_ref_seq")){ - StructRefSeq sref = (StructRefSeq) buildObject( - StructRefSeq.class.getName(), - loopFields,lineData, loopWarnings); - - triggerNewStrucRefSeq(sref); - } else if ( category.equals("_struct_ref_seq_dif")) { - StructRefSeqDif sref = (StructRefSeqDif) buildObject( - StructRefSeqDif.class.getName(), - loopFields, lineData, loopWarnings); - - triggerNewStrucRefSeqDif(sref); - } else if ( category.equals("_struct_site_gen")) { - StructSiteGen sref = (StructSiteGen) buildObject( - StructSiteGen.class.getName(), - loopFields, lineData, loopWarnings); - - triggerNewStructSiteGen(sref); - } else if ( category.equals("_struct_site")) { - StructSite sref = (StructSite) buildObject( - StructSite.class.getName(), - loopFields, lineData, loopWarnings); - triggerNewStructSite(sref); - } else if ( category.equals("_entity_poly_seq")){ - EntityPolySeq exptl = (EntityPolySeq) buildObject( - EntityPolySeq.class.getName(), - loopFields,lineData, loopWarnings); - - triggerNewEntityPolySeq(exptl); - } else if ( category.equals("_entity_src_gen")){ - EntitySrcGen entitySrcGen = (EntitySrcGen) buildObject( - EntitySrcGen.class.getName(), - loopFields,lineData, loopWarnings); - triggerNewEntitySrcGen(entitySrcGen); - } else if ( category.equals("_entity_src_nat")){ - EntitySrcNat entitySrcNat = (EntitySrcNat) buildObject( - EntitySrcNat.class.getName(), - loopFields,lineData, loopWarnings); - triggerNewEntitySrcNat(entitySrcNat); - } else if ( category.equals("_pdbx_entity_src_syn")){ - EntitySrcSyn entitySrcSyn = (EntitySrcSyn) buildObject( - EntitySrcSyn.class.getName(), - loopFields,lineData, loopWarnings); - triggerNewEntitySrcSyn(entitySrcSyn); - } else if ( category.equals("_struct_asym")){ - StructAsym sasym = (StructAsym) buildObject( - StructAsym.class.getName(), - loopFields,lineData, loopWarnings); - - triggerNewStructAsym(sasym); - - } else if ( category.equals("_pdbx_poly_seq_scheme")){ - PdbxPolySeqScheme ppss = (PdbxPolySeqScheme) buildObject( - PdbxPolySeqScheme.class.getName(), - loopFields,lineData, loopWarnings); - - triggerNewPdbxPolySeqScheme(ppss); - - } else if ( category.equals("_pdbx_nonpoly_scheme")){ - PdbxNonPolyScheme ppss = (PdbxNonPolyScheme) buildObject( - PdbxNonPolyScheme.class.getName(), - loopFields,lineData, loopWarnings); - - triggerNewPdbxNonPolyScheme(ppss); - - } else if ( category.equals("_pdbx_entity_nonpoly")){ - PdbxEntityNonPoly pen = (PdbxEntityNonPoly) buildObject( - PdbxEntityNonPoly.class.getName(), - loopFields,lineData, loopWarnings - ); - triggerNewPdbxEntityNonPoly(pen); - } else if ( category.equals("_struct_keywords")){ - StructKeywords kw = (StructKeywords)buildObject( - StructKeywords.class.getName(), - loopFields,lineData, loopWarnings - ); - triggerNewStructKeywords(kw); - } else if (category.equals("_refine")){ - Refine r = (Refine)buildObject( - Refine.class.getName(), - loopFields,lineData, loopWarnings - ); - triggerNewRefine(r); - } else if (category.equals("_chem_comp")){ - ChemComp c = (ChemComp)buildObject( - ChemComp.class.getName(), - loopFields, lineData, loopWarnings - ); - triggerNewChemComp(c); - } else if (category.equals("_audit_author")) { - AuditAuthor aa = (AuditAuthor)buildObject( - AuditAuthor.class.getName(), - loopFields, lineData, loopWarnings); - triggerNewAuditAuthor(aa); - } else if (category.equals("_pdbx_chem_comp_descriptor")) { - ChemCompDescriptor ccd = (ChemCompDescriptor) buildObject( - ChemCompDescriptor.class.getName(), - loopFields, lineData, loopWarnings); - triggerNewChemCompDescriptor(ccd); - } else if (category.equals("_pdbx_struct_oper_list")) { - - PdbxStructOperList structOper = (PdbxStructOperList) buildObject( - PdbxStructOperList.class.getName(), - loopFields, lineData, loopWarnings - ); - triggerNewPdbxStructOper(structOper); - - } else if (category.equals("_pdbx_struct_assembly")) { - PdbxStructAssembly sa = (PdbxStructAssembly) buildObject( - PdbxStructAssembly.class.getName(), - loopFields, lineData, loopWarnings); - triggerNewPdbxStructAssembly(sa); - - } else if (category.equals("_pdbx_struct_assembly_gen")) { - PdbxStructAssemblyGen sa = (PdbxStructAssemblyGen) buildObject( - PdbxStructAssemblyGen.class.getName(), - loopFields, lineData, loopWarnings); - triggerNewPdbxStructAssemblyGen(sa); - } else if ( category.equals("_chem_comp_atom")){ - ChemCompAtom atom = (ChemCompAtom)buildObject( - ChemCompAtom.class.getName(), - loopFields,lineData, loopWarnings); - triggerNewChemCompAtom(atom); - - }else if ( category.equals("_chem_comp_bond")){ - ChemCompBond bond = (ChemCompBond)buildObject( - ChemCompBond.class.getName(), - loopFields,lineData, loopWarnings); - triggerNewChemCompBond(bond); - } else if ( category.equals("_pdbx_chem_comp_identifier")){ - PdbxChemCompIdentifier id = (PdbxChemCompIdentifier)buildObject( - PdbxChemCompIdentifier.class.getName(), - loopFields,lineData, loopWarnings); - triggerNewPdbxChemCompIdentifier(id); - } else if ( category.equals("_pdbx_chem_comp_descriptor")){ - PdbxChemCompDescriptor id = (PdbxChemCompDescriptor)buildObject( - PdbxChemCompDescriptor.class.getName(), - loopFields,lineData, loopWarnings); - triggerNewPdbxChemCompDescriptor(id); - } else if ( category.equals("_struct_conn")){ - StructConn id = (StructConn)buildObject( - StructConn.class.getName(), - loopFields,lineData, loopWarnings); - triggerNewStructConn(id); - - } else { - - logger.debug("Using a generic bean for category {}",category); - - // trigger a generic bean that can deal with all missing data types... - triggerGeneric(category,loopFields,lineData); - } - - - } - - -// private PdbxStructOperList getPdbxStructOperList(List loopFields, -// List lineData) { -// PdbxStructOperList so = new PdbxStructOperList(); -// -// //System.out.println(loopFields); -// //System.out.println(lineData); -// -// String id = lineData.get(loopFields.indexOf("id")); -// so.setId(id); -// so.setType(lineData.get(loopFields.indexOf("type"))); -// Matrix matrix = new Matrix(3,3); -// for (int i = 1 ; i <=3 ; i++){ -// for (int j =1 ; j <= 3 ; j++){ -// String max = String.format("matrix[%d][%d]",j,i); -// -// String val = lineData.get(loopFields.indexOf(max)); -// Double d = Double.parseDouble(val); -// matrix.set(j-1,i-1,d); -// // matrix.set(i-1,j-1,d); -// } -// } -// -// double[] coords =new double[3]; -// -// for ( int i = 1; i <=3 ; i++){ -// String v = String.format("vector[%d]",i); -// String val = lineData.get(loopFields.indexOf(v)); -// Double d = Double.parseDouble(val); -// coords[i-1] = d; -// } -// -// so.setMatrix(matrix); -// so.setVector(coords); -// -// -// -// return so; -// } - - public void triggerNewPdbxStructOper(PdbxStructOperList structOper) { - for(MMcifConsumer c : consumers){ - c.newPdbxStructOperList(structOper); - } - - } - - public void triggerNewStructNcsOper(StructNcsOper sNcsOper) { - for(MMcifConsumer c : consumers){ - c.newStructNcsOper(sNcsOper); - } - - } - - public void triggerNewAtomSites(AtomSites atomSites) { - for(MMcifConsumer c : consumers){ - c.newAtomSites(atomSites); - } - } - - /** - * Populates a bean object from the {@link org.biojava.nbio.structure.io.mmcif.model} package, - * from the data read from a CIF file. - * It uses reflection to lookup the field and setter method names given the category - * found in the CIF file. - *

      - * Due to limitations in variable names in java, not all fields can have names - * exactly as defined in the CIF categories. In those cases the {@link CIFLabel} tag - * can be used in the field names to give the appropriate name that corresponds to the - * CIF category, which is the name that will be then looked up here. - * The {@link IgnoreField} tag can also be used to exclude fields from being looked up. - * @param className - * @param loopFields - * @param lineData - * @param warnings - * @return - */ - private Object buildObject(String className, List loopFields, List lineData, Set warnings) { - - Object o = null; - Class c = null; - - try { - // build up the Entity object from the line data... - c = Class.forName(className); - - o = c.newInstance(); - - } catch (InstantiationException|ClassNotFoundException|IllegalAccessException e){ - logger.error( "Error while constructing {}: {}", className, e.getMessage()); - return null; - } - - // these methods get the fields but also looking at the IgnoreField and CIFLabel annotations - Field[] fields = MMCIFFileTools.getFields(c); - String[] names = MMCIFFileTools.getFieldNames(fields); - - // let's build a map of all methods so that we can look up the setter methods later - Method[] methods = c.getMethods(); - - Map methodMap = new HashMap(); - for (Method m : methods) { - methodMap.put(m.getName(),m); - } - - // and a map of all the fields so that we can lookup them up later - Map names2fields = new HashMap<>(); - for (int i=0;i[] pType = setter.getParameterTypes(); - - - try { - if ( pType[0].getName().equals(Integer.class.getName())) { - if ( val != null && ! val.equals("?") && !val.equals(".")) { - - Integer intVal = Integer.parseInt(val); - setter.invoke(o, intVal); - - } - } else { - // default val is a String - setter.invoke(o, val); - } - } catch (IllegalAccessException|InvocationTargetException e) { - logger.error("Could not invoke setter {} with value {} for class {}", setterMethodName, val, className); - } - - } - - return o; - } - - private void produceWarning(String key, String val, Class c, Set warnings) { - - String warning = "Trying to set field " + key + " in "+ c.getName() +" found in file, but no corresponding field could be found in model class (value:" + val + ")"; - String warnkey = key+"-"+c.getName(); - // Suppress duplicate warnings or attempts to store empty data - if( val.equals("?") || val.equals(".") || ( warnings != null && warnings.contains(warnkey)) ) { - logger.debug(warning); - } else { - logger.info(warning); - } - - if(warnings != null) { - warnings.add(warnkey); - } - - } - - public void triggerGeneric(String category, List loopFields, List lineData){ - for(MMcifConsumer c : consumers){ - c.newGenericData(category, loopFields, lineData); - } - } - - public void triggerNewEntity(Entity entity){ - for(MMcifConsumer c : consumers){ - c.newEntity(entity); - } - } - - public void triggerNewEntityPoly(EntityPoly entityPoly) { - for(MMcifConsumer c : consumers){ - c.newEntityPoly(entityPoly); - } - } - - public void triggerNewEntityPolySeq(EntityPolySeq epolseq){ - for(MMcifConsumer c : consumers){ - c.newEntityPolySeq(epolseq); - } - } - public void triggerNewEntitySrcGen(EntitySrcGen entitySrcGen){ - for(MMcifConsumer c : consumers){ - c.newEntitySrcGen(entitySrcGen); - } - } - public void triggerNewEntitySrcNat(EntitySrcNat entitySrcNat){ - for(MMcifConsumer c : consumers){ - c.newEntitySrcNat(entitySrcNat); - } - } - public void triggerNewEntitySrcSyn(EntitySrcSyn entitySrcSyn){ - for(MMcifConsumer c : consumers){ - c.newEntitySrcSyn(entitySrcSyn); - } - } - public void triggerNewChemComp(ChemComp cc){ - - for(MMcifConsumer c : consumers){ - c.newChemComp(cc); - } - } - public void triggerNewStructAsym(StructAsym sasym){ - for(MMcifConsumer c : consumers){ - c.newStructAsym(sasym); - } - } - - private void triggerStructData(Struct struct){ - for(MMcifConsumer c : consumers){ - c.setStruct(struct); - } - } - - private void triggerNewAtomSite(AtomSite atom){ - for(MMcifConsumer c : consumers){ - c.newAtomSite(atom); - } - } - - private void triggerNewAuditAuthor(AuditAuthor aa){ - for(MMcifConsumer c : consumers){ - c.newAuditAuthor(aa); - } - } - - private void triggerNewPdbxAuditRevisionHistory(PdbxAuditRevisionHistory history) { - for(MMcifConsumer c : consumers){ - c.newPdbxAuditRevisionHistory(history); - } - } - - private void triggerNewPdbxDatabaseStatus(PdbxDatabaseStatus status) { - for(MMcifConsumer c : consumers){ - c.newPdbxDatabaseStatus(status); - } - } - - private void triggerNewDatabasePDBrev(DatabasePDBrev dbrev){ - for(MMcifConsumer c : consumers){ - c.newDatabasePDBrev(dbrev); - } - } - private void triggerNewDatabasePDBrevRecord(DatabasePdbrevRecord dbrev){ - for(MMcifConsumer c : consumers){ - c.newDatabasePDBrevRecord(dbrev); - } - } - - private void triggerNewDatabasePDBremark(DatabasePDBremark remark){ - for(MMcifConsumer c : consumers){ - c.newDatabasePDBremark(remark); - } - } - - private void triggerExptl(Exptl exptl){ - for(MMcifConsumer c : consumers){ - c.newExptl(exptl); - } - } - - private void triggerNewCell(Cell cell) { - for(MMcifConsumer c : consumers){ - c.newCell(cell); - } - } - - private void triggerNewSymmetry(Symmetry symmetry) { - for(MMcifConsumer c : consumers){ - c.newSymmetry(symmetry); - } - } - - private void triggerNewStrucRef(StructRef sref){ - for(MMcifConsumer c : consumers){ - c.newStructRef(sref); - } - } - - private void triggerNewStrucRefSeq(StructRefSeq sref){ - for(MMcifConsumer c : consumers){ - c.newStructRefSeq(sref); - } - } - - private void triggerNewStrucRefSeqDif(StructRefSeqDif sref){ - for(MMcifConsumer c : consumers){ - c.newStructRefSeqDif(sref); - } - } - - private void triggerNewPdbxPolySeqScheme(PdbxPolySeqScheme ppss){ - for(MMcifConsumer c : consumers){ - c.newPdbxPolySeqScheme(ppss); - } - } - private void triggerNewPdbxNonPolyScheme(PdbxNonPolyScheme ppss){ - for(MMcifConsumer c : consumers){ - c.newPdbxNonPolyScheme(ppss); - } - } - public void triggerNewPdbxEntityNonPoly(PdbxEntityNonPoly pen){ - for (MMcifConsumer c: consumers){ - c.newPdbxEntityNonPoly(pen); - } - } - public void triggerNewStructKeywords(StructKeywords kw){ - for (MMcifConsumer c: consumers){ - c.newStructKeywords(kw); - } - } - public void triggerNewRefine(Refine r){ - for (MMcifConsumer c: consumers){ - c.newRefine(r); - } - } - public void triggerDocumentStart(){ - for(MMcifConsumer c : consumers){ - c.documentStart(); - } - } - public void triggerDocumentEnd(){ - for(MMcifConsumer c : consumers){ - c.documentEnd(); - } - } - public void triggerNewChemCompDescriptor(ChemCompDescriptor ccd) { - for(MMcifConsumer c : consumers){ - c.newChemCompDescriptor(ccd); - } - } - private void triggerNewPdbxStructAssembly(PdbxStructAssembly sa) { - for(MMcifConsumer c : consumers){ - c.newPdbxStrucAssembly(sa); - } - } - private void triggerNewPdbxStructAssemblyGen(PdbxStructAssemblyGen sa) { - for(MMcifConsumer c : consumers){ - c.newPdbxStrucAssemblyGen(sa); - } - } - - private void triggerNewChemCompAtom(ChemCompAtom atom) { - for(MMcifConsumer c : consumers){ - c.newChemCompAtom(atom); - } - } - - private void triggerNewChemCompBond(ChemCompBond bond) { - for(MMcifConsumer c : consumers){ - c.newChemCompBond(bond); - } - } - - private void triggerNewPdbxChemCompIdentifier(PdbxChemCompIdentifier id) { - for(MMcifConsumer c : consumers){ - c.newPdbxChemCompIndentifier(id); - } - } - private void triggerNewPdbxChemCompDescriptor(PdbxChemCompDescriptor id) { - for(MMcifConsumer c : consumers){ - c.newPdbxChemCompDescriptor(id); - } - } - private void triggerNewStructConn(StructConn id) { - for(MMcifConsumer c : consumers){ - c.newStructConn(id); - } - } - private void triggerNewStructSiteGen(StructSiteGen id) { - for (MMcifConsumer c : consumers) { - c.newStructSiteGen(id); - } - } - private void triggerNewStructSite(StructSite id) { - for (MMcifConsumer c : consumers) { - c.newStructSite(id); - } - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ZipChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ZipChemCompProvider.java deleted file mode 100644 index 9475a6d036..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/ZipChemCompProvider.java +++ /dev/null @@ -1,313 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif; - -import java.io.BufferedOutputStream; -import java.io.File; -import java.io.FileOutputStream; -import java.io.FilenameFilter; -import java.io.IOException; -import java.io.InputStream; -import java.nio.file.FileSystem; -import java.nio.file.FileSystems; -import java.nio.file.Files; -import java.nio.file.Path; -import java.nio.file.Paths; -import java.nio.file.StandardCopyOption; -import java.util.HashSet; -import java.util.Set; -import java.util.zip.GZIPInputStream; -import java.util.zip.ZipEntry; -import java.util.zip.ZipOutputStream; - -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.chem.ResidueType; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -/** This chemical component provider retrieves and caches chemical component definition files from a - * zip archive specified in its construction. If the archive does not contain the record, an attempt is - * made to download it using DownloadChemCompProvider. The downloaded file is then added to the archive. - * - * The class is thread-safe and the same ZipChemCompProvider should be used by all threads to prevent - * simultaneous read or write to the zip archive. A zip archive will be created if missing. - * - * @author edlunde - * @author larsonm - * @since 12/05/12 - * updated 3/5/2016 for Java 7 ZipFileSystem - */ -public class ZipChemCompProvider implements ChemCompProvider{ - private static final Logger s_logger = LoggerFactory.getLogger(ZipChemCompProvider.class); - - private final Path m_tempDir; // Base path where $m_zipRootDir/ will be downloaded to. - private final Path m_zipRootDir; - private final Path m_zipFile; - private final DownloadChemCompProvider m_dlProvider; - - private boolean m_removeCif; - - // Missing IDs from library that cannot be download added here to prevent delays. - private Set unavailable = new HashSet(); - - /** - * ZipChemCompProvider is a Chemical Component provider that stores chemical components - * in a zip archive. Missing chemical components are downloaded and appended to the - * archive. If non-existent a new zip archive will be created. - * - * @param chemicalComponentDictionaryFile : path to zip archive for chemical components. - * @param tempDir : path for temporary directory, (null) defaults to path in property "java.io.tmpdir". - * @throws IOException - */ - public ZipChemCompProvider(String chemicalComponentDictionaryFile, String tempDir) throws IOException { - this.m_zipFile = Paths.get(chemicalComponentDictionaryFile); - - // Use a default temporary directory if not passed a value. - if (tempDir == null || tempDir.equals("")) { - this.m_tempDir = Paths.get(System.getProperty("java.io.tmpdir")); - } else { - this.m_tempDir = Paths.get(tempDir); - } - - this.m_zipRootDir = Paths.get("chemcomp"); - - // Setup an instance of the download chemcomp provider. - this.m_dlProvider = new DownloadChemCompProvider(m_tempDir.toString()); - this.m_removeCif = true; - initializeZip(); - } - - // See comments in addToZipFileSystem for why initialization is required with - // ZipFileSystems - due to URI issues in Java7. - private void initializeZip() throws IOException { - s_logger.info("Using chemical component dictionary: " + m_zipFile.toString()); - final File f = m_zipFile.toFile(); - if (!f.exists()) { - s_logger.info("Creating missing zip archive: " + m_zipFile.toString()); - FileOutputStream fo = new FileOutputStream(f); - ZipOutputStream zip = new ZipOutputStream(new BufferedOutputStream(fo)); - try { - zip.putNextEntry(new ZipEntry("chemcomp/")); - zip.closeEntry(); - } finally { - zip.close(); - } - } - } - - /** - * Remove downloaded .cif.gz after adding to zip archive? - * Default is true. - * @param doRemove - */ - public void setRemoveCif(boolean doRemove) { - m_removeCif = doRemove; - } - - /* (non-Javadoc) - * @see org.biojava.nbio.structure.io.mmcif.ChemCompProvider#getChemComp(java.lang.String) - * - * @param recordName : three letter PDB name for a residue - * @return ChemComp from .zip or ChemComp from repository. Will return empty ChemComp when unable to find a residue and will return null if not provided a valid recordName. - */ - @Override - public ChemComp getChemComp(String recordName) { - if (null == recordName) return null; - - // handle non-existent ChemComp codes and do not repeatedly attempt to add these. - for (String str : unavailable) { - if (recordName.equals(str)) return getEmptyChemComp(recordName); - } - - // Try to pull from zip, if fail then download. - ChemComp cc = getFromZip(recordName); - if (cc == null) { - s_logger.info("File "+recordName+" not found in archive. Attempting download from PDB."); - cc = downloadAndAdd(recordName); - } - - // If a null record or an empty chemcomp, return a default ChemComp and blacklist. - if (cc == null || (null == cc.getName() && cc.getAtoms().size() == 0)) { - s_logger.info("Unable to find or download " + recordName + " - excluding from future searches."); - unavailable.add(recordName); - return getEmptyChemComp(recordName); - } - return cc; - } - - /** Use DownloadChemCompProvider to grab a gzipped cif record from the PDB. - * Zip all downloaded cif.gz files into the dictionary. - * - * @param recordName is the three-letter chemical component code (i.e. residue name). - * @return ChemComp matching recordName - */ - private ChemComp downloadAndAdd(String recordName){ - final ChemComp cc = m_dlProvider.getChemComp(recordName); - - // final File [] files = finder(m_tempDir.resolve("chemcomp").toString(), "cif.gz"); - final File [] files = new File[1]; - Path cif = m_tempDir.resolve("chemcomp").resolve(recordName + ".cif.gz"); - files[0] = cif.toFile(); - if (files[0] != null) { - addToZipFileSystem(m_zipFile, files, m_zipRootDir); - if (m_removeCif) for (File f : files) f.delete(); - } - return cc; - } - - /** - * Cleanup chemical component (.cif.gz) files downloaded to tmpdir. - * @param tempdir : path to temporary directory for chemical components - */ - public static void purgeTempFiles(String tempdir) { - if (tempdir == null) return; - - s_logger.info("Removing: "+tempdir); - Path dlPath = Paths.get(tempdir).resolve("chemcomp"); - File[] chemCompOutFiles = finder(dlPath.toString(), "cif.gz"); - if (null != chemCompOutFiles) for (File f : chemCompOutFiles) f.delete(); - dlPath.toFile().delete(); - } - - /** - * Return an empty ChemComp group for a three-letter resName. - * @param resName - * @return - */ - private ChemComp getEmptyChemComp(String resName){ - String pdbName = ""; // Empty string is default - if (null != resName && resName.length() >= 3) { - pdbName = resName.substring(0,3); - } - final ChemComp comp = new ChemComp(); - comp.setOne_letter_code("?"); - comp.setThree_letter_code(pdbName); - comp.setPolymerType(PolymerType.unknown); - comp.setResidueType(ResidueType.atomn); - return comp; - } - - /** - * Return File(s) in dirName that match suffix. - * @param dirName - * @param suffix - * @return - */ - static private File[] finder( String dirName, final String suffix){ - if (null == dirName || null == suffix) { - return null; - } - - final File dir = new File(dirName); - return dir.listFiles(new FilenameFilter() { - @Override - public boolean accept(File dir, String filename) - { return filename.endsWith(suffix); } - } ); - } - - /** - * This is synchronized, along with addToFileSystem to prevent simulatenous reading/writing. - * @param recordName to find in zipfile. - * @return ChemComp if found or null if missing. - */ - private synchronized ChemComp getFromZip(String recordName) { - ChemComp cc = null; - if (!m_zipFile.toFile().exists()) return cc; - final String filename = "chemcomp/" + recordName+".cif.gz"; - - // try with resources block to read from the filesystem. - try (FileSystem fs = FileSystems.newFileSystem(m_zipFile, (ClassLoader) null)) { - Path cif = fs.getPath(filename); - - if (Files.exists(cif)) { - final InputStream zipStream = Files.newInputStream(cif); - final InputStream inputStream = new GZIPInputStream(zipStream); - s_logger.debug("reading " + recordName + " from " + m_zipFile); - final MMcifParser parser = new SimpleMMcifParser(); - final ChemCompConsumer consumer = new ChemCompConsumer(); - parser.addMMcifConsumer(consumer); - parser.parse(inputStream); - inputStream.close(); - - final ChemicalComponentDictionary dict = consumer.getDictionary(); - cc = dict.getChemComp(recordName); - } - } catch (IOException e) { - s_logger.error("Unable to read from zip file : " + e.getMessage()); - } - - return cc; - } - - /** - * Add an array of files to a zip archive. - * Synchronized to prevent simultaneous reading/writing. - * - * @param zipFile is a destination zip archive - * @param files is an array of files to be added - * @param pathWithinArchive is the path within the archive to add files to - * @return true if successfully appended these files. - */ - private synchronized boolean addToZipFileSystem(Path zipFile, File[] files, Path pathWithinArchive) { - boolean ret = false; - - /* URIs in Java 7 cannot have spaces, must use Path instead - * and so, cannot use the properties map to describe need to create - * a new zip archive. ZipChemCompProvider.initilizeZip to creates the - * missing zip file */ - - /* - // convert the filename to a URI - String uriString = "jar:file:" + zipFile.toUri().getPath(); - final URI uri = URI.create(uriString); - - // if filesystem doesn't exist, create one. - final Map env = new HashMap<>(); - // Create a new zip if one isn't present. - if (!zipFile.toFile().exists()) { - System.out.println("Need to create " + zipFile.toString()); - } - env.put("create", String.valueOf(!zipFile.toFile().exists())); - // Specify the encoding as UTF -8 - env.put("encoding", "UTF-8"); - */ - - // Copy in each file. - try (FileSystem zipfs = FileSystems.newFileSystem(zipFile, null)) { - Files.createDirectories(pathWithinArchive); - for (File f : files) { - if (!f.isDirectory() && f.exists()) { - Path externalFile = f.toPath(); - Path pathInZipFile = zipfs.getPath(pathWithinArchive.resolve(f.getName()).toString()); - Files.copy(externalFile, pathInZipFile, - StandardCopyOption.REPLACE_EXISTING); - } - } - ret = true; - } catch (IOException ex) { - s_logger.error("Unable to add entries to Chemical Component zip archive : " + ex.getMessage()); - ret = false; - } - return ret; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/ChemCompTools.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/ChemCompTools.java deleted file mode 100644 index d1392f5117..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/ChemCompTools.java +++ /dev/null @@ -1,261 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Mar 4, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.chem; - -import org.biojava.nbio.structure.io.mmcif.ChemicalComponentDictionary; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; - -import java.util.*; - -/** Some tools for working with chemical compounds. - * - * @author Andreas Prlic - * @since 1.7 - * - */ -public class ChemCompTools { - - private static final Character UNKNOWN_ONE_LETTER_CODE = 'X'; - private static final Character UNKNOWN_NUCLEOTIDE = 'N'; - - /** - * Lookup table to convert standard amino acid's monomer ids to one-letter-codes - */ - private static final Map AMINO_ACID_LOOKUP_3TO1; - - /** - * Lookup table to convert standard amino acid's one-letter-codes to monomer ids - */ - private static final Map AMINO_ACID_LOOKUP_1TO3; - - /** - * Lookup table to convert standard nucleic acid's monomer ids to one-letter-codes - */ - private static final Map DNA_LOOKUP_2TO1; - - /** - * Lookup table to convert standard nucleic acid's one-letter-codes to monomer ids - */ - private static final Map DNA_LOOKUP_1TO2; - - /** - * Static block that initializes lookup maps and initializes their ResidueInfo instances - */ - static - { - Map foo = new HashMap(); - foo.put("ALA", 'A'); - foo.put("ASP", 'D'); - foo.put("ASN", 'N'); - foo.put("ASX", 'B'); - foo.put("ARG", 'R'); - foo.put("CYS", 'C'); - foo.put("GLU", 'E'); - foo.put("GLN", 'Q'); - foo.put("GLY", 'G'); - foo.put("GLX", 'Z'); - foo.put("HIS", 'H'); - foo.put("ILE", 'I'); - foo.put("LYS", 'K'); - foo.put("LEU", 'L'); - foo.put("MET", 'M'); - foo.put("PHE", 'F'); - foo.put("PRO", 'P'); - foo.put("SER", 'S'); - foo.put("THR", 'T'); - foo.put("TRP", 'W'); - foo.put("TYR", 'Y'); - foo.put("VAL", 'V'); - AMINO_ACID_LOOKUP_3TO1 = Collections.unmodifiableMap((Collections.synchronizedMap(foo))); - - Map bar = new HashMap(); - bar.put('A', "ALA"); - bar.put('D', "ASP"); - bar.put('N', "ASN"); - bar.put('B', "ASX"); - bar.put('R', "ARG"); - bar.put('C', "CYS"); - bar.put('E', "GLU"); - bar.put('Q', "GLN"); - bar.put('G', "GLY"); - bar.put('Z', "GLX"); - bar.put('H', "HIS"); - bar.put('I', "ILE"); - bar.put('K', "LYS"); - bar.put('L', "LEU"); - bar.put('M', "MET"); - bar.put('F', "PHE"); - bar.put('P', "PRO"); - bar.put('S', "SER"); - bar.put('T', "THR"); - bar.put('W', "TRP"); - bar.put('Y', "TYR"); - bar.put('V', "VAL"); - AMINO_ACID_LOOKUP_1TO3 = Collections.unmodifiableMap(Collections.synchronizedMap(bar)); - - foo = new HashMap(); - foo.put("DA",'A'); - foo.put("DC",'C'); - foo.put("DG",'G'); - foo.put("DI",'I'); - foo.put("DU",'U'); - foo.put("DT",'T'); - DNA_LOOKUP_2TO1 = Collections.unmodifiableMap((Collections.synchronizedMap(foo))); - - bar = new HashMap(); - bar.put('A',"DA"); - bar.put('C',"DC"); - bar.put('G',"DG"); - bar.put('I',"DI"); - bar.put('U',"DU"); - bar.put('T',"DT"); - DNA_LOOKUP_1TO2 = Collections.unmodifiableMap(Collections.synchronizedMap(bar)); - - - // initialise standard chemical components - List stdMonIds = new ArrayList(); - stdMonIds.addAll(AMINO_ACID_LOOKUP_3TO1.keySet()); - stdMonIds.addAll(DNA_LOOKUP_2TO1.keySet()); - - - - } - - public static Character getAminoOneLetter(String chemCompId){ - return AMINO_ACID_LOOKUP_3TO1.get(chemCompId); - } - - - public static Character getDNAOneLetter(String chemCompId){ - return DNA_LOOKUP_2TO1.get(chemCompId) ; - } - - public static String getAminoThreeLetter(Character c){ - return AMINO_ACID_LOOKUP_1TO3.get(c); - } - - public static String getDNATwoLetter(Character c){ - return DNA_LOOKUP_1TO2.get(c); - } - - public static final boolean isStandardChemComp(ChemComp cc){ - - String pid = cc.getMon_nstd_parent_comp_id(); - String one = cc.getOne_letter_code(); - - PolymerType polymerType = cc.getPolymerType(); - - // standard residues have no parent - if ((pid == null) || (pid.equals("?"))){ - - // and they have a one letter code - if ( ( one != null) && ( ! one.equals("?") )){ - - // peptides and dpeptides must not have X - if ( (polymerType == PolymerType.peptide) || - ( polymerType == PolymerType.dpeptide)) { - return performPeptideCheck(cc, one); - - } - if (polymerType == PolymerType.rna){ - return performRNACheck(cc); - } - if (polymerType == PolymerType.dna) { - - return performDNACheck(cc); - - } - - //System.err.println("Non standard chem comp: " + cc); - return false; - } - } - return false; - } - - - private static boolean performRNACheck(ChemComp cc) { - if (cc.getId().length() == 1) - return true; - else - return false; - } - - - private static boolean performDNACheck(ChemComp cc) { - if ( cc.getId().equals(UNKNOWN_NUCLEOTIDE.toString())) - return false; - - Character c = getDNAOneLetter(cc.getId()); - if ( c==null){ - // we did not find it in the list of standard nucleotides - return false; - } - return true; - } - - - private static boolean performPeptideCheck(ChemComp cc, String one) { - if (one.equals(UNKNOWN_ONE_LETTER_CODE.toString())) { - return false; - } - Character c = getAminoOneLetter(cc.getId()); - if ( c==null){ - // we did not find it in the list of standard aminos - return false; - } - return true; - } - - - // TODO: component 175 has 3 chars as a one letter code... - // Figure out what to do with it... - // so does: 4F3,5ZA and others - public static Character getOneLetterCode(ChemComp cc, ChemicalComponentDictionary dictionary){ - if ( cc.getResidueType() == ResidueType.nonPolymer ) - return null; - - if ( cc.isStandard()) - return cc.getOne_letter_code().charAt(0); - - ChemComp parent = dictionary.getParent(cc); - if ( parent == null){ - //System.err.println("parent is null " + cc); - return cc.getOne_letter_code().charAt(0); - } - PolymerType poly = cc.getPolymerType(); - if (( poly == PolymerType.peptide) || ( poly == PolymerType.dpeptide)){ - Character c = getAminoOneLetter(parent.getId()); - if ( c == null) - c = UNKNOWN_ONE_LETTER_CODE; - return c; - } - if ( poly == PolymerType.dna){ - Character c = getDNAOneLetter(parent.getId()); - if (c == null) - c = UNKNOWN_NUCLEOTIDE; - return c; - - } - return cc.getMon_nstd_parent_comp_id().charAt(0); - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/MetalBondDistance.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/MetalBondDistance.java deleted file mode 100644 index ab2658c7e3..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/MetalBondDistance.java +++ /dev/null @@ -1,76 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.chem; - -/** A bean that contains cutoffs for correctly detecting metal bonds. - * Definitions are in file bond_distance_limits.cif.gz - * - * Created by andreas on 6/9/16. - */ -public class MetalBondDistance { - - private String atomType1; - private String atomType2; - private float lowerLimit; - private float upperLimit; - - public String getAtomType1() { - return atomType1; - } - - public void setAtomType1(String atomType1) { - this.atomType1 = atomType1; - } - - public String getAtomType2() { - return atomType2; - } - - public void setAtomType2(String atomType2) { - this.atomType2 = atomType2; - } - - public float getLowerLimit() { - return lowerLimit; - } - - public void setLowerLimit(float lowerLimit) { - this.lowerLimit = lowerLimit; - } - - public float getUpperLimit() { - return upperLimit; - } - - public void setUpperLimit(float upperLimit) { - this.upperLimit = upperLimit; - } - - @Override - public String toString() { - return "MetalBindDistance{" + - "atomType1='" + atomType1 + '\'' + - ", atomType2='" + atomType2 + '\'' + - ", lowerLimit=" + lowerLimit + - ", upperLimit=" + upperLimit + - '}'; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/PolymerType.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/PolymerType.java deleted file mode 100644 index d7b4853cf0..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/PolymerType.java +++ /dev/null @@ -1,191 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * - */ -package org.biojava.nbio.structure.io.mmcif.chem; - -import java.io.Serializable; -import java.util.*; - -/** - * Enumerates the classification of polymers. - * This information is derived from the mmcif dictionary - * @author mulvaney - * @author Andreas Prlic - * @see link into mmCIF dictionary - * @since 1.7 - */ -public enum PolymerType implements Serializable -{ - - /** - * polypeptide(L) - */ - peptide("polypeptide(L)"), - - /** - * polypeptide(D) - */ - dpeptide("polypeptide(D)"), - - /** - * polydeoxyribonucleotide - */ - dna("polydeoxyribonucleotide"), - - /** - * polyribonucleotide - */ - rna("polyribonucleotide"), - - /** - * polydeoxyribonucleotide/polyribonucleotide hybrid - */ - dnarna("polydeoxyribonucleotide/polyribonucleotide hybrid"), - - /** - * polysaccharide(D) - */ - polysaccharide("polysaccharide(D)"), - - /** - * polysaccharide(L) - */ - lpolysaccharide("polysaccharide(L)"), - - /** - * other - */ - otherPolymer("other"), - - /** - * cyclic peptides - */ - cyclicPeptide("cyclic-pseudo-peptide"), - - /** - * Peptide nucleic acids - */ - peptideNucleicAcid("peptide nucleic acid"), - - /** - * if all else fails... - */ - unknown(null); - - static Map lookupTable = new HashMap<>(); - - static { - - for (PolymerType rt : PolymerType.values() ) { - if ( rt == unknown) - continue; - lookupTable.put(rt.entity_poly_type,rt); - lookupTable.put(rt.entity_poly_type.toLowerCase(),rt); - } - } - - - PolymerType(String entity_poly_type) - { - this.entity_poly_type = entity_poly_type; - } - public final String entity_poly_type; - - public static PolymerType polymerTypeFromString(String polymerType) - { - - if ( polymerType.equalsIgnoreCase(peptide.entity_poly_type)) - return peptide; - - PolymerType ptype = lookupTable.get(polymerType); - if ( ptype != null) - return ptype; - - ptype = lookupTable.get(polymerType.toLowerCase()); - if ( ptype != null) - return ptype; - - - for(PolymerType pt : PolymerType.values()) - { - if(polymerType.equals(pt.entity_poly_type)) - { - return pt; - } - } - return unknown; - } - - /** - * Convenience Set of polymer types classified as protein. This only contains {@link #peptide} - */ - public static final Set PROTEIN_ONLY; - - /** - * Convenience Set of polymer types classified as DNA. This only contains {@link #dna} - */ - public static final Set DNA_ONLY; - - /** - * Convenience Set of polymer types classified as RNA. This only contains {@link #rna} - */ - public static final Set RNA_ONLY; - - /** - * Convenience Set of polymer types classified as DNA. This contains: - *

        - *
      • {@link #dna}
        • - *
      • {@link #rna}
        • - *
      • {@link #dnarna}
        • - *
      - */ - public static final Set POLYNUCLEOTIDE_ONLY; - - /** - * Convenience Set of all polymer types. - */ - public static final Set ALL_POLYMER_TYPES; - - static { - Set tmp; - - tmp = new HashSet(); - tmp.add(peptide); - PROTEIN_ONLY = Collections.unmodifiableSet(tmp); - - tmp = new HashSet(); - tmp.add(dna); - DNA_ONLY = Collections.unmodifiableSet(tmp); - - tmp = new HashSet(); - tmp.add(rna); - RNA_ONLY = Collections.unmodifiableSet(tmp); - - tmp = new HashSet(); - tmp.add(dna); - tmp.add(rna); - tmp.add(dnarna); - POLYNUCLEOTIDE_ONLY = Collections.unmodifiableSet(tmp); - - ALL_POLYMER_TYPES = Collections.unmodifiableSet(new HashSet(Arrays.asList(values()))); - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/ResidueType.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/ResidueType.java deleted file mode 100644 index d6f6b0a40a..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/chem/ResidueType.java +++ /dev/null @@ -1,150 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * - */ -package org.biojava.nbio.structure.io.mmcif.chem; - -import java.io.Serializable; -import java.util.HashMap; -import java.util.Map; - - -/** - * Enumerates the possible classifications of residues. These are generally more specific than PolymerTypes - * This information is derived from the mmcif dictionary. - * @author mulvaney - * @author Andreas Prlic - * @see link into mmCIF dictionary - * @since 1.7 - */ - -public enum ResidueType implements Serializable { - - atomn(null, "null"), // present in db for _chem_comp.id_ = 'CFL' but not enumerated in dictionary - // Peptides - dPeptideLinking(PolymerType.dpeptide, "D-peptide linking"), - lPeptideLinking(PolymerType.peptide, "L-peptide linking"), - glycine(PolymerType.peptide,"PEPTIDE LINKING"), - peptideLike(PolymerType.otherPolymer, "peptide-like"), - dPeptideAminoTerminus(PolymerType.dpeptide, "D-peptide NH3 amino terminus"), - lPeptideAminoTerminus(PolymerType.peptide, "L-peptide NH3 amino terminus"), - dPeptideCarboxyTerminus(PolymerType.dpeptide, "D-peptide COOH carboxy terminus"), - lPeptideCarboxyTerminus(PolymerType.peptide, "L-peptide COOH carboxy terminus"), - // Nucleotides - dnaLinking(PolymerType.dna, "DNA linking"), - rnaLinking(PolymerType.rna, "RNA linking"), - dna3PrimeTerminus(PolymerType.dna, "DNA OH 3 prime terminus"), - rna3PrimeTerminus(PolymerType.rna, "RNA OH 3 prime terminus"), - dna5PrimeTerminus(PolymerType.dna, "DNA OH 5 prime terminus"), - rna5PrimeTerminus(PolymerType.rna, "RNA OH 5 prime terminus"), - // Sugars - dSaccharide(PolymerType.polysaccharide, "D-saccharide"), - dSaccharide14and14linking(PolymerType.polysaccharide, "D-saccharide 1,4 and 1,4 linking"), - dSaccharide14and16linking(PolymerType.polysaccharide, "D-saccharide 1,4 and 1,6 linking"), - lSaccharide(PolymerType.lpolysaccharide, "L-saccharide"), - lSaccharide14and14linking(PolymerType.lpolysaccharide, "L-saccharide 1,4 and 1,4 linking"), - lSaccharide14and16linking(PolymerType.lpolysaccharide, "L-saccharide 1,4 and 1,6 linking"), - saccharide(PolymerType.polysaccharide, "saccharide"), - // Iso-peptides - dBetaPeptideCGammaLinking(PolymerType.dpeptide,"D-beta-peptide, C-gamma linking"), - dGammaPeptideCDeltaLinking(PolymerType.dpeptide,"D-gamma-peptide, C-delta linking"), - lBetaPeptideCGammaLinking(PolymerType.peptide,"L-beta-peptide, C-gamma linking"), - lGammaPeptideCDeltaLinking(PolymerType.peptide,"L-gamma-peptide, C-delta linking"), - // L nucleotides. As of 2015-04, these are only found in D-DNA hybrids, so they don't have their own PolymerType - lDNALinking(PolymerType.dna,"L-DNA linking"), - lRNALinking(PolymerType.dna,"L-RNA linking"), - // Other - nonPolymer(null, "non-polymer"), - otherChemComp(null, "other"); - - - static Map lookupTable = new HashMap<>(); - - static { - - for (ResidueType rt : ResidueType.values() ) { - lookupTable.put(rt.chem_comp_type,rt); - lookupTable.put(rt.chem_comp_type.toLowerCase(),rt); - } - } - ResidueType(PolymerType pt, String chem_comp_type) - { - this.polymerType = pt; - this.chem_comp_type = chem_comp_type; - - } - - /** - * The associated {@link PolymerType} - */ - public final PolymerType polymerType; - - /** - * Gets the associated PolymerType, which are less specific - * @return - */ - public PolymerType getPolymerType() {return polymerType;} - - /** - * String value of the type - */ - public final String chem_comp_type; - - /** Get ResidueType by chem_comp_type - * - * @param chem_comp_type e.g. L-peptide linking - * @return - */ - public static ResidueType getResidueTypeFromString(String chem_comp_type) - { - - // Almost all calls to this method are for L-peptide linking. Use this knowledge for a shortcut. - - if ( chem_comp_type.equalsIgnoreCase(lPeptideLinking.chem_comp_type) ) - return lPeptideLinking; - - ResidueType rtype = lookupTable.get(chem_comp_type); - if ( rtype != null) - return rtype; - - /** Unfortunately it can be guaranteed that chem_comp_type case sensitivity is preserved. - * E.g. mmtf has it all upper-case. As such we need to do a second check - */ - rtype = lookupTable.get(chem_comp_type.toLowerCase()); - if ( rtype != null) - return rtype; - - - - // preserving previous behaviour. Not sure if this is really necessary? - for(ResidueType rt : ResidueType.values()) - { - if(rt.chem_comp_type.equalsIgnoreCase(chem_comp_type)) - { - return rt; - } - if ( rt.chem_comp_type.toLowerCase().startsWith(chem_comp_type.toLowerCase())) - return rt; - if ( chem_comp_type.toLowerCase().startsWith(rt.chem_comp_type.toLowerCase())) - return rt; - } - return null; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AbstractBean.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AbstractBean.java deleted file mode 100644 index 7dc7b869f5..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AbstractBean.java +++ /dev/null @@ -1,103 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at May 31, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -import org.biojava.nbio.structure.Chain; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.lang.reflect.InvocationTargetException; -import java.lang.reflect.Method; -import java.util.List; - -/** a generic class that implements the toString method for a bean - * - * @author Andreas Prlic - * - */ -public abstract class AbstractBean { - - private static final Logger logger = LoggerFactory.getLogger(AbstractBean.class); - - @Override - @SuppressWarnings({ "unchecked" }) - public String toString(){ - StringBuffer buf = new StringBuffer(); - buf.append(this.getClass().getName()).append(": "); - /* disabled for the moment - - buf.append(" chains: " ); - Iterator iter = chainList.iterator(); - while (iter.hasNext()){ - Chain c = iter.next(); - buf.append (c.getName() + " "); - } - - */ - try { - Class c = this.getClass(); - Method[] methods = c.getMethods(); - - for (int i = 0; i < methods.length; i++) { - Method m = methods[i]; - - String name = m.getName(); - if ( name.substring(0,3).equals("get")) { - - Object o = m.invoke(this, new Object[]{}); - if ( o instanceof String){ - buf.append(name.substring(3, name.length())+": "+ o + " "); - } - else if ( o instanceof List){ - buf.append(name.substring(3, name.length())).append(": "); - - Listlst = (List)o; - for (Object obj : lst){ - if ( obj instanceof Chain){ - continue; - } - buf.append(obj).append(" "); - } - - } - else { - // ignore... - } - } - - } - - } catch (InvocationTargetException e){ - logger.error("Exception caught while producing toString",e); - } catch (IllegalAccessException e) { - logger.error("Exception caught while producing toString",e); - } - - - //if ( organismScientific != null) - // buf.append(" organism scientific: " + organismScientific); - - - return buf.toString(); - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AtomSite.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AtomSite.java deleted file mode 100644 index 93ded0ca45..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AtomSite.java +++ /dev/null @@ -1,218 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Apr 26, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -public class AtomSite extends AbstractBean{ - - String group_PDB; - String id; - String type_symbol; - String label_atom_id; - String label_alt_id; - String label_comp_id; - String label_asym_id; - String label_entity_id; - String label_seq_id; - String pdbx_PDB_ins_code; - - String Cartn_x; - String Cartn_y; - String Cartn_z; - String occupancy; - String B_iso_or_equiv; - - String Cartn_x_esd; - String Cartn_y_esd; - String Cartn_z_esd; - String occupancy_esd; - String B_iso_or_equiv_esd; - String pdbx_formal_charge; - - String auth_seq_id; - String auth_comp_id; - String auth_asym_id; - String auth_atom_id; - String pdbx_PDB_model_num; - - - public String getGroup_PDB() { - return group_PDB; - } - public void setGroup_PDB(String group_PDB) { - this.group_PDB = group_PDB; - } - public String getId() { - return id; - } - public void setId(String id) { - this.id = id; - } - public String getType_symbol() { - return type_symbol; - } - public void setType_symbol(String type_symbol) { - this.type_symbol = type_symbol; - } - - public String getLabel_alt_id() { - return label_alt_id; - } - public void setLabel_alt_id(String label_alt_id) { - this.label_alt_id = label_alt_id; - } - public String getLabel_comp_id() { - return label_comp_id; - } - public void setLabel_comp_id(String label_comp_id) { - this.label_comp_id = label_comp_id; - } - public String getLabel_entity_id() { - return label_entity_id; - } - public void setLabel_entity_id(String label_entity_id) { - this.label_entity_id = label_entity_id; - } - public String getLabel_seq_id() { - return label_seq_id; - } - public void setLabel_seq_id(String label_seq_id) { - this.label_seq_id = label_seq_id; - } - public String getPdbx_PDB_ins_code() { - return pdbx_PDB_ins_code; - } - public void setPdbx_PDB_ins_code(String pdbx_PDB_ins_code) { - this.pdbx_PDB_ins_code = pdbx_PDB_ins_code; - } - public String getCartn_x() { - return Cartn_x; - } - public void setCartn_x(String cartn_x) { - Cartn_x = cartn_x; - } - public String getCartn_y() { - return Cartn_y; - } - public void setCartn_y(String cartn_y) { - Cartn_y = cartn_y; - } - public String getCartn_z() { - return Cartn_z; - } - public void setCartn_z(String cartn_z) { - Cartn_z = cartn_z; - } - public String getOccupancy() { - return occupancy; - } - public void setOccupancy(String occupancy) { - this.occupancy = occupancy; - } - public String getB_iso_or_equiv() { - return B_iso_or_equiv; - } - public void setB_iso_or_equiv(String b_iso_or_equiv) { - B_iso_or_equiv = b_iso_or_equiv; - } - public String getCartn_x_esd() { - return Cartn_x_esd; - } - public void setCartn_x_esd(String cartn_x_esd) { - Cartn_x_esd = cartn_x_esd; - } - public String getCartn_y_esd() { - return Cartn_y_esd; - } - public void setCartn_y_esd(String cartn_y_esd) { - Cartn_y_esd = cartn_y_esd; - } - public String getCartn_z_esd() { - return Cartn_z_esd; - } - public void setCartn_z_esd(String cartn_z_esd) { - Cartn_z_esd = cartn_z_esd; - } - public String getAuth_seq_id() { - return auth_seq_id; - } - public void setAuth_seq_id(String auth_seq_id) { - this.auth_seq_id = auth_seq_id; - } - public String getAuth_comp_id() { - return auth_comp_id; - } - public void setAuth_comp_id(String auth_comp_id) { - this.auth_comp_id = auth_comp_id; - } - public String getAuth_asym_id() { - return auth_asym_id; - } - public void setAuth_asym_id(String auth_asym_id) { - this.auth_asym_id = auth_asym_id; - } - public String getAuth_atom_id() { - return auth_atom_id; - } - public void setAuth_atom_id(String auth_atom_id) { - this.auth_atom_id = auth_atom_id; - } - public String getPdbx_PDB_model_num() { - return pdbx_PDB_model_num; - } - public void setPdbx_PDB_model_num(String pdbx_PDB_model_num) { - this.pdbx_PDB_model_num = pdbx_PDB_model_num; - } - public String getLabel_atom_id() { - return label_atom_id; - } - public void setLabel_atom_id(String label_atom_id) { - this.label_atom_id = label_atom_id; - } - public String getLabel_asym_id() { - return label_asym_id; - } - public void setLabel_asym_id(String label_asym_id) { - this.label_asym_id = label_asym_id; - } - public String getOccupancy_esd() { - return occupancy_esd; - } - public void setOccupancy_esd(String occupancy_esd) { - this.occupancy_esd = occupancy_esd; - } - public String getB_iso_or_equiv_esd() { - return B_iso_or_equiv_esd; - } - public void setB_iso_or_equiv_esd(String b_iso_or_equiv_esd) { - B_iso_or_equiv_esd = b_iso_or_equiv_esd; - } - public String getPdbx_formal_charge() { - return pdbx_formal_charge; - } - public void setPdbx_formal_charge(String pdbx_formal_charge) { - this.pdbx_formal_charge = pdbx_formal_charge; - } - - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AtomSites.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AtomSites.java deleted file mode 100644 index 9e4db8b683..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AtomSites.java +++ /dev/null @@ -1,421 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** - * A class containing the _atom_sites data. Equivalent to the SCALE records in PDB files. - * - * - * @author Jose Duarte - * - */ -public class AtomSites extends AbstractBean { - - String entry_id; - - // to my knowledge this field is not used - JD 2016-11-22 - String Cartn_transform_axes; - - @CIFLabel(label="fract_transf_matrix[1][1]") - String fract_transf_matrix11; - - @CIFLabel(label="fract_transf_matrix[1][2]") - String fract_transf_matrix12; - - @CIFLabel(label="fract_transf_matrix[1][3]") - String fract_transf_matrix13; - - - @CIFLabel(label="fract_transf_matrix[2][1]") - String fract_transf_matrix21; - - @CIFLabel(label="fract_transf_matrix[2][2]") - String fract_transf_matrix22; - - @CIFLabel(label="fract_transf_matrix[2][3]") - String fract_transf_matrix23; - - - @CIFLabel(label="fract_transf_matrix[3][1]") - String fract_transf_matrix31; - - @CIFLabel(label="fract_transf_matrix[3][2]") - String fract_transf_matrix32; - - @CIFLabel(label="fract_transf_matrix[3][3]") - String fract_transf_matrix33; - - - @CIFLabel(label="fract_transf_vector[1]") - String fract_transf_vector1; - - @CIFLabel(label="fract_transf_vector[2]") - String fract_transf_vector2; - - @CIFLabel(label="fract_transf_vector[3]") - String fract_transf_vector3; - - // these fields are unusual but appear in some entries like 5e5j - JD 2016-11-22 - @CIFLabel(label="Cartn_transf_matrix[1][1]") - String Cartn_transf_matrix11; - - @CIFLabel(label="Cartn_transf_matrix[1][2]") - String Cartn_transf_matrix12; - - @CIFLabel(label="Cartn_transf_matrix[1][3]") - String Cartn_transf_matrix13; - - @CIFLabel(label="Cartn_transf_matrix[2][1]") - String Cartn_transf_matrix21; - - @CIFLabel(label="Cartn_transf_matrix[2][2]") - String Cartn_transf_matrix22; - - @CIFLabel(label="Cartn_transf_matrix[2][3]") - String Cartn_transf_matrix23; - - @CIFLabel(label="Cartn_transf_matrix[3][1]") - String Cartn_transf_matrix31; - - @CIFLabel(label="Cartn_transf_matrix[3][2]") - String Cartn_transf_matrix32; - - @CIFLabel(label="Cartn_transf_matrix[3][3]") - String Cartn_transf_matrix33; - - @CIFLabel(label="Cartn_transf_vector[1]") - String Cartn_transf_vector1; - - @CIFLabel(label="Cartn_transf_vector[2]") - String Cartn_transf_vector2; - - @CIFLabel(label="Cartn_transf_vector[3]") - String Cartn_transf_vector3; - - - public String getEntry_id() { - return entry_id; - } - public void setEntry_id(String entry_id) { - this.entry_id = entry_id; - } - /** - * @return the cartn_transform_axes - */ - public String getCartn_transform_axes() { - return Cartn_transform_axes; - } - /** - * @param cartn_transform_axes the cartn_transform_axes to set - */ - public void setCartn_transform_axes(String cartn_transform_axes) { - Cartn_transform_axes = cartn_transform_axes; - } - /** - * @return the fract_transf_matrix11 - */ - public String getFract_transf_matrix11() { - return fract_transf_matrix11; - } - /** - * @param fract_transf_matrix11 the fract_transf_matrix11 to set - */ - public void setFract_transf_matrix11(String fract_transf_matrix11) { - this.fract_transf_matrix11 = fract_transf_matrix11; - } - /** - * @return the fract_transf_matrix12 - */ - public String getFract_transf_matrix12() { - return fract_transf_matrix12; - } - /** - * @param fract_transf_matrix12 the fract_transf_matrix12 to set - */ - public void setFract_transf_matrix12(String fract_transf_matrix12) { - this.fract_transf_matrix12 = fract_transf_matrix12; - } - /** - * @return the fract_transf_matrix13 - */ - public String getFract_transf_matrix13() { - return fract_transf_matrix13; - } - /** - * @param fract_transf_matrix13 the fract_transf_matrix13 to set - */ - public void setFract_transf_matrix13(String fract_transf_matrix13) { - this.fract_transf_matrix13 = fract_transf_matrix13; - } - /** - * @return the fract_transf_matrix21 - */ - public String getFract_transf_matrix21() { - return fract_transf_matrix21; - } - /** - * @param fract_transf_matrix21 the fract_transf_matrix21 to set - */ - public void setFract_transf_matrix21(String fract_transf_matrix21) { - this.fract_transf_matrix21 = fract_transf_matrix21; - } - /** - * @return the fract_transf_matrix22 - */ - public String getFract_transf_matrix22() { - return fract_transf_matrix22; - } - /** - * @param fract_transf_matrix22 the fract_transf_matrix22 to set - */ - public void setFract_transf_matrix22(String fract_transf_matrix22) { - this.fract_transf_matrix22 = fract_transf_matrix22; - } - /** - * @return the fract_transf_matrix23 - */ - public String getFract_transf_matrix23() { - return fract_transf_matrix23; - } - /** - * @param fract_transf_matrix23 the fract_transf_matrix23 to set - */ - public void setFract_transf_matrix23(String fract_transf_matrix23) { - this.fract_transf_matrix23 = fract_transf_matrix23; - } - /** - * @return the fract_transf_matrix31 - */ - public String getFract_transf_matrix31() { - return fract_transf_matrix31; - } - /** - * @param fract_transf_matrix31 the fract_transf_matrix31 to set - */ - public void setFract_transf_matrix31(String fract_transf_matrix31) { - this.fract_transf_matrix31 = fract_transf_matrix31; - } - /** - * @return the fract_transf_matrix32 - */ - public String getFract_transf_matrix32() { - return fract_transf_matrix32; - } - /** - * @param fract_transf_matrix32 the fract_transf_matrix32 to set - */ - public void setFract_transf_matrix32(String fract_transf_matrix32) { - this.fract_transf_matrix32 = fract_transf_matrix32; - } - /** - * @return the fract_transf_matrix33 - */ - public String getFract_transf_matrix33() { - return fract_transf_matrix33; - } - /** - * @param fract_transf_matrix33 the fract_transf_matrix33 to set - */ - public void setFract_transf_matrix33(String fract_transf_matrix33) { - this.fract_transf_matrix33 = fract_transf_matrix33; - } - /** - * @return the fract_transf_vector1 - */ - public String getFract_transf_vector1() { - return fract_transf_vector1; - } - /** - * @param fract_transf_vector1 the fract_transf_vector1 to set - */ - public void setFract_transf_vector1(String fract_transf_vector1) { - this.fract_transf_vector1 = fract_transf_vector1; - } - /** - * @return the fract_transf_vector2 - */ - public String getFract_transf_vector2() { - return fract_transf_vector2; - } - /** - * @param fract_transf_vector2 the fract_transf_vector2 to set - */ - public void setFract_transf_vector2(String fract_transf_vector2) { - this.fract_transf_vector2 = fract_transf_vector2; - } - /** - * @return the fract_transf_vector3 - */ - public String getFract_transf_vector3() { - return fract_transf_vector3; - } - /** - * @param fract_transf_vector3 the fract_transf_vector3 to set - */ - public void setFract_transf_vector3(String fract_transf_vector3) { - this.fract_transf_vector3 = fract_transf_vector3; - } - /** - * @return the cartn_transf_matrix11 - */ - public String getCartn_transf_matrix11() { - return Cartn_transf_matrix11; - } - /** - * @param cartn_transf_matrix11 the cartn_transf_matrix11 to set - */ - public void setCartn_transf_matrix11(String cartn_transf_matrix11) { - Cartn_transf_matrix11 = cartn_transf_matrix11; - } - /** - * @return the cartn_transf_matrix12 - */ - public String getCartn_transf_matrix12() { - return Cartn_transf_matrix12; - } - /** - * @param cartn_transf_matrix12 the cartn_transf_matrix12 to set - */ - public void setCartn_transf_matrix12(String cartn_transf_matrix12) { - Cartn_transf_matrix12 = cartn_transf_matrix12; - } - /** - * @return the cartn_transf_matrix13 - */ - public String getCartn_transf_matrix13() { - return Cartn_transf_matrix13; - } - /** - * @param cartn_transf_matrix13 the cartn_transf_matrix13 to set - */ - public void setCartn_transf_matrix13(String cartn_transf_matrix13) { - Cartn_transf_matrix13 = cartn_transf_matrix13; - } - /** - * @return the cartn_transf_matrix21 - */ - public String getCartn_transf_matrix21() { - return Cartn_transf_matrix21; - } - /** - * @param cartn_transf_matrix21 the cartn_transf_matrix21 to set - */ - public void setCartn_transf_matrix21(String cartn_transf_matrix21) { - Cartn_transf_matrix21 = cartn_transf_matrix21; - } - /** - * @return the cartn_transf_matrix22 - */ - public String getCartn_transf_matrix22() { - return Cartn_transf_matrix22; - } - /** - * @param cartn_transf_matrix22 the cartn_transf_matrix22 to set - */ - public void setCartn_transf_matrix22(String cartn_transf_matrix22) { - Cartn_transf_matrix22 = cartn_transf_matrix22; - } - /** - * @return the cartn_transf_matrix23 - */ - public String getCartn_transf_matrix23() { - return Cartn_transf_matrix23; - } - /** - * @param cartn_transf_matrix23 the cartn_transf_matrix23 to set - */ - public void setCartn_transf_matrix23(String cartn_transf_matrix23) { - Cartn_transf_matrix23 = cartn_transf_matrix23; - } - /** - * @return the cartn_transf_matrix31 - */ - public String getCartn_transf_matrix31() { - return Cartn_transf_matrix31; - } - /** - * @param cartn_transf_matrix31 the cartn_transf_matrix31 to set - */ - public void setCartn_transf_matrix31(String cartn_transf_matrix31) { - Cartn_transf_matrix31 = cartn_transf_matrix31; - } - /** - * @return the cartn_transf_matrix32 - */ - public String getCartn_transf_matrix32() { - return Cartn_transf_matrix32; - } - /** - * @param cartn_transf_matrix32 the cartn_transf_matrix32 to set - */ - public void setCartn_transf_matrix32(String cartn_transf_matrix32) { - Cartn_transf_matrix32 = cartn_transf_matrix32; - } - /** - * @return the cartn_transf_matrix33 - */ - public String getCartn_transf_matrix33() { - return Cartn_transf_matrix33; - } - /** - * @param cartn_transf_matrix33 the cartn_transf_matrix33 to set - */ - public void setCartn_transf_matrix33(String cartn_transf_matrix33) { - Cartn_transf_matrix33 = cartn_transf_matrix33; - } - /** - * @return the cartn_transf_vector1 - */ - public String getCartn_transf_vector1() { - return Cartn_transf_vector1; - } - /** - * @param cartn_transf_vector1 the cartn_transf_vector1 to set - */ - public void setCartn_transf_vector1(String cartn_transf_vector1) { - Cartn_transf_vector1 = cartn_transf_vector1; - } - /** - * @return the cartn_transf_vector2 - */ - public String getCartn_transf_vector2() { - return Cartn_transf_vector2; - } - /** - * @param cartn_transf_vector2 the cartn_transf_vector2 to set - */ - public void setCartn_transf_vector2(String cartn_transf_vector2) { - Cartn_transf_vector2 = cartn_transf_vector2; - } - /** - * @return the cartn_transf_vector3 - */ - public String getCartn_transf_vector3() { - return Cartn_transf_vector3; - } - /** - * @param cartn_transf_vector3 the cartn_transf_vector3 to set - */ - public void setCartn_transf_vector3(String cartn_transf_vector3) { - Cartn_transf_vector3 = cartn_transf_vector3; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AuditAuthor.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AuditAuthor.java deleted file mode 100644 index 4cfc0962c7..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/AuditAuthor.java +++ /dev/null @@ -1,51 +0,0 @@ -/* - * PDB web development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * - * Created on Jul 25, 2009 - * Created by Andreas Prlic - * - */ - -package org.biojava.nbio.structure.io.mmcif.model; - -public class AuditAuthor -{ - String name; - String pdbx_ordinal; - String address; - public String getName() - { - return name; - } - public void setName(String name) - { - this.name = name; - } - public String getPdbx_ordinal() - { - return pdbx_ordinal; - } - public void setPdbx_ordinal(String pdbx_ordinal) - { - this.pdbx_ordinal = pdbx_ordinal; - } - public String getAddress() { - return address; - } - public void setAddress(String address) { - this.address = address; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/CIFLabel.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/CIFLabel.java deleted file mode 100644 index 17775df70f..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/CIFLabel.java +++ /dev/null @@ -1,38 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -import java.lang.annotation.ElementType; -import java.lang.annotation.Retention; -import java.lang.annotation.RetentionPolicy; -import java.lang.annotation.Target; - -/** - * Annotation indicating that a specific field of a bean should be mapped to - * a different label - * @author Spencer Bliven - * - */ -@Target(value=ElementType.FIELD) -@Retention(value=RetentionPolicy.RUNTIME) -public @interface CIFLabel { - String label(); -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Cell.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Cell.java deleted file mode 100644 index 59804fa821..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Cell.java +++ /dev/null @@ -1,143 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -public class Cell extends AbstractBean { - - String entry_id; - String length_a; - String length_b; - String length_c; - String angle_alpha; - String angle_beta; - String angle_gamma; - String Z_PDB; - String pdbx_unique_axis; - - // some PDB entries like 1aac have the extra esd fields - String length_a_esd; - String length_b_esd; - String length_c_esd; - String angle_alpha_esd; - String angle_beta_esd; - String angle_gamma_esd; - - String volume; - - public String getEntry_id() { - return entry_id; - } - public void setEntry_id(String entry_id) { - this.entry_id = entry_id; - } - public String getLength_a() { - return length_a; - } - public void setLength_a(String length_a) { - this.length_a = length_a; - } - public String getLength_b() { - return length_b; - } - public void setLength_b(String length_b) { - this.length_b = length_b; - } - public String getLength_c() { - return length_c; - } - public void setLength_c(String length_c) { - this.length_c = length_c; - } - public String getAngle_alpha() { - return angle_alpha; - } - public void setAngle_alpha(String angle_alpha) { - this.angle_alpha = angle_alpha; - } - public String getAngle_beta() { - return angle_beta; - } - public void setAngle_beta(String angle_beta) { - this.angle_beta = angle_beta; - } - public String getAngle_gamma() { - return angle_gamma; - } - public void setAngle_gamma(String angle_gamma) { - this.angle_gamma = angle_gamma; - } - public String getZ_PDB() { - return Z_PDB; - } - public void setZ_PDB(String z_PDB) { - Z_PDB = z_PDB; - } - public String getPdbx_unique_axis() { - return pdbx_unique_axis; - } - public void setPdbx_unique_axis(String pdbx_unique_axis) { - this.pdbx_unique_axis = pdbx_unique_axis; - } - public String getLength_a_esd() { - return length_a_esd; - } - public void setLength_a_esd(String length_a_esd) { - this.length_a_esd = length_a_esd; - } - public String getLength_b_esd() { - return length_b_esd; - } - public void setLength_b_esd(String length_b_esd) { - this.length_b_esd = length_b_esd; - } - public String getLength_c_esd() { - return length_c_esd; - } - public void setLength_c_esd(String length_c_esd) { - this.length_c_esd = length_c_esd; - } - public String getAngle_alpha_esd() { - return angle_alpha_esd; - } - public void setAngle_alpha_esd(String angle_alpha_esd) { - this.angle_alpha_esd = angle_alpha_esd; - } - public String getAngle_beta_esd() { - return angle_beta_esd; - } - public void setAngle_beta_esd(String angle_beta_esd) { - this.angle_beta_esd = angle_beta_esd; - } - public String getAngle_gamma_esd() { - return angle_gamma_esd; - } - public void setAngle_gamma_esd(String angle_gamma_esd) { - this.angle_gamma_esd = angle_gamma_esd; - } - public String getVolume() { - return volume; - } - public void setVolume(String volume) { - this.volume = volume; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemComp.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemComp.java deleted file mode 100644 index cb38de1755..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemComp.java +++ /dev/null @@ -1,618 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -import org.biojava.nbio.structure.io.mmcif.chem.ChemCompTools; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.chem.ResidueType; - -import java.io.Serializable; -import java.util.ArrayList; -import java.util.List; - -/** A definition for a Chemical Component, as maintained by the wwPDB. For access to all definitions, - * please download the components.cif.gz file from the wwPDB website. - * - * @author Andreas Prlic - * - */ -public class ChemComp implements Serializable, Comparable{ - /** - * - */ - private static final long serialVersionUID = -4736341142030215915L; - - private String id ; - private String name; - private String type; - private String pdbx_type; - private String formula; - private String mon_nstd_parent_comp_id; - private String pdbx_synonyms; - private String pdbx_formal_charge; - private String pdbx_initial_date ; - private String pdbx_modified_date; - private String pdbx_ambiguous_flag; - private String pdbx_release_status ; - private String pdbx_replaced_by; - private String pdbx_replaces; - private String formula_weight; - private String one_letter_code; - private String three_letter_code; - private String pdbx_model_coordinates_details; - private String pdbx_model_coordinates_missing_flag; - private String pdbx_ideal_coordinates_details; - private String pdbx_ideal_coordinates_missing_flag; - private String pdbx_model_coordinates_db_code; - private String pdbx_subcomponent_list; - private String pdbx_processing_site; - private String mon_nstd_flag; - - @IgnoreField - private List descriptors = new ArrayList(); - @IgnoreField - private List bonds = new ArrayList(); - @IgnoreField - private List atoms = new ArrayList(); - - // and some derived data for easier processing... - @IgnoreField - private ResidueType residueType; - @IgnoreField - private PolymerType polymerType; - @IgnoreField - private boolean standard; - - @Override - public String toString(){ - StringBuffer buf = new StringBuffer("ChemComp "); - buf.append(id); - buf.append(" "); - buf.append(one_letter_code); - buf.append(" "); - buf.append(three_letter_code); - buf.append(" poly:"); - buf.append(getPolymerType()); - buf.append(" resi:"); - buf.append(getResidueType()); - if (isStandard()) - buf.append(" standard"); - else - buf.append(" modified"); - buf.append(" "); - - buf.append(name); - buf.append(" "); - buf.append(pdbx_type); - buf.append(" "); - buf.append(formula); - buf.append(" parent:"); - buf.append(mon_nstd_parent_comp_id); - return buf.toString(); - } - - public boolean hasParent(){ - String pid = mon_nstd_parent_comp_id; - if ((pid != null ) && (! pid.equals("?"))){ - return true; - } - return false; - } - - public boolean isStandard(){ - return standard; - } - - private void setStandardFlag(){ - standard = ChemCompTools.isStandardChemComp(this); - } - - - - public String getId() { - return id; - } - public void setId(String id) { - this.id = id; - } - public String getName() { - return name; - } - public void setName(String name) { - this.name = name; - } - public String getType() { - return type; - } - - public void setType(String type) { - this.type = type; - - residueType = ResidueType.getResidueTypeFromString(type); - if ( residueType != null){ - polymerType = residueType.polymerType; - } - - } - - - public ResidueType getResidueType() { - return residueType; - } - - public void setResidueType(ResidueType residueType) { - this.residueType = residueType; - } - - public PolymerType getPolymerType() { - return polymerType; - } - - public void setPolymerType(PolymerType polymerType) { - this.polymerType = polymerType; - } - - public String getPdbx_type() { - return pdbx_type; - } - public void setPdbx_type(String pdbx_type) { - this.pdbx_type = pdbx_type; - } - public String getFormula() { - return formula; - } - public void setFormula(String formula) { - this.formula = formula; - } - public String getMon_nstd_parent_comp_id() { - return mon_nstd_parent_comp_id; - } - public void setMon_nstd_parent_comp_id(String mon_nstd_parent_comp_id) { - this.mon_nstd_parent_comp_id = mon_nstd_parent_comp_id; - setStandardFlag(); - } - public String getPdbx_synonyms() { - return pdbx_synonyms; - } - public void setPdbx_synonyms(String pdbx_synonyms) { - this.pdbx_synonyms = pdbx_synonyms; - } - public String getPdbx_formal_charge() { - return pdbx_formal_charge; - } - public void setPdbx_formal_charge(String pdbx_formal_charge) { - this.pdbx_formal_charge = pdbx_formal_charge; - } - public String getPdbx_initial_date() { - return pdbx_initial_date; - } - public void setPdbx_initial_date(String pdbx_initial_date) { - this.pdbx_initial_date = pdbx_initial_date; - } - public String getPdbx_modified_date() { - return pdbx_modified_date; - } - public void setPdbx_modified_date(String pdbx_modified_date) { - this.pdbx_modified_date = pdbx_modified_date; - } - public String getPdbx_ambiguous_flag() { - return pdbx_ambiguous_flag; - } - public void setPdbx_ambiguous_flag(String pdbx_ambiguous_flag) { - this.pdbx_ambiguous_flag = pdbx_ambiguous_flag; - } - public String getPdbx_release_status() { - return pdbx_release_status; - } - public void setPdbx_release_status(String pdbx_release_status) { - this.pdbx_release_status = pdbx_release_status; - } - public String getPdbx_replaced_by() { - return pdbx_replaced_by; - } - public void setPdbx_replaced_by(String pdbx_replaced_by) { - this.pdbx_replaced_by = pdbx_replaced_by; - } - public String getPdbx_replaces() { - return pdbx_replaces; - } - public void setPdbx_replaces(String pdbx_replaces) { - this.pdbx_replaces = pdbx_replaces; - } - public String getFormula_weight() { - return formula_weight; - } - public void setFormula_weight(String formula_weight) { - this.formula_weight = formula_weight; - } - public String getOne_letter_code() { - return one_letter_code; - } - public void setOne_letter_code(String one_letter_code) { - this.one_letter_code = one_letter_code; - setStandardFlag(); - } - public String getThree_letter_code() { - return three_letter_code; - } - public void setThree_letter_code(String three_letter_code) { - this.three_letter_code = three_letter_code; - } - public String getPdbx_model_coordinates_details() { - return pdbx_model_coordinates_details; - } - public void setPdbx_model_coordinates_details( - String pdbx_model_coordinates_details) { - this.pdbx_model_coordinates_details = pdbx_model_coordinates_details; - } - public String getPdbx_model_coordinates_missing_flag() { - return pdbx_model_coordinates_missing_flag; - } - public void setPdbx_model_coordinates_missing_flag( - String pdbx_model_coordinates_missing_flag) { - this.pdbx_model_coordinates_missing_flag = pdbx_model_coordinates_missing_flag; - } - public String getPdbx_ideal_coordinates_details() { - return pdbx_ideal_coordinates_details; - } - public void setPdbx_ideal_coordinates_details( - String pdbx_ideal_coordinates_details) { - this.pdbx_ideal_coordinates_details = pdbx_ideal_coordinates_details; - } - public String getPdbx_ideal_coordinates_missing_flag() { - return pdbx_ideal_coordinates_missing_flag; - } - public void setPdbx_ideal_coordinates_missing_flag( - String pdbx_ideal_coordinates_missing_flag) { - this.pdbx_ideal_coordinates_missing_flag = pdbx_ideal_coordinates_missing_flag; - } - public String getPdbx_model_coordinates_db_code() { - return pdbx_model_coordinates_db_code; - } - public void setPdbx_model_coordinates_db_code( - String pdbx_model_coordinates_db_code) { - this.pdbx_model_coordinates_db_code = pdbx_model_coordinates_db_code; - } - public String getPdbx_subcomponent_list() { - return pdbx_subcomponent_list; - } - public void setPdbx_subcomponent_list(String pdbx_subcomponent_list) { - this.pdbx_subcomponent_list = pdbx_subcomponent_list; - } - public String getPdbx_processing_site() { - return pdbx_processing_site; - } - public void setPdbx_processing_site(String pdbx_processing_site) { - this.pdbx_processing_site = pdbx_processing_site; - } - - public void setStandard(boolean standard) { - this.standard = standard; - } - - public String getMon_nstd_flag() - { - return mon_nstd_flag; - } - - public void setMon_nstd_flag(String mon_nstd_flag) - { - this.mon_nstd_flag = mon_nstd_flag; - } - - public List getDescriptors() { - return descriptors; - } - - public void setDescriptors(List descriptors) { - this.descriptors = descriptors; - } - - public List getBonds() { - return bonds; - } - - public void setBonds(List bonds) { - this.bonds = bonds; - } - - public List getAtoms() { - return atoms; - } - - public void setAtoms(List atoms) { - this.atoms = atoms; - } - - @Override - public int compareTo(ChemComp arg0) { - if ( this.equals(arg0)) - return 0; - return this.getId().compareTo(arg0.getId()); - } - - @Override - public int hashCode() { - final int prime = 31; - int result = 1; - result = prime * result - + ((descriptors == null) ? 0 : descriptors.hashCode()); - result = prime * result + ((formula == null) ? 0 : formula.hashCode()); - result = prime * result - + ((formula_weight == null) ? 0 : formula_weight.hashCode()); - result = prime * result + ((id == null) ? 0 : id.hashCode()); - result = prime * result - + ((mon_nstd_flag == null) ? 0 : mon_nstd_flag.hashCode()); - result = prime - * result - + ((mon_nstd_parent_comp_id == null) ? 0 - : mon_nstd_parent_comp_id.hashCode()); - result = prime * result + ((name == null) ? 0 : name.hashCode()); - result = prime * result - + ((one_letter_code == null) ? 0 : one_letter_code.hashCode()); - result = prime - * result - + ((pdbx_ambiguous_flag == null) ? 0 : pdbx_ambiguous_flag - .hashCode()); - result = prime - * result - + ((pdbx_formal_charge == null) ? 0 : pdbx_formal_charge - .hashCode()); - result = prime - * result - + ((pdbx_ideal_coordinates_details == null) ? 0 - : pdbx_ideal_coordinates_details.hashCode()); - result = prime - * result - + ((pdbx_ideal_coordinates_missing_flag == null) ? 0 - : pdbx_ideal_coordinates_missing_flag.hashCode()); - result = prime - * result - + ((pdbx_initial_date == null) ? 0 : pdbx_initial_date - .hashCode()); - result = prime - * result - + ((pdbx_model_coordinates_db_code == null) ? 0 - : pdbx_model_coordinates_db_code.hashCode()); - result = prime - * result - + ((pdbx_model_coordinates_details == null) ? 0 - : pdbx_model_coordinates_details.hashCode()); - result = prime - * result - + ((pdbx_model_coordinates_missing_flag == null) ? 0 - : pdbx_model_coordinates_missing_flag.hashCode()); - result = prime - * result - + ((pdbx_modified_date == null) ? 0 : pdbx_modified_date - .hashCode()); - result = prime - * result - + ((pdbx_processing_site == null) ? 0 : pdbx_processing_site - .hashCode()); - result = prime - * result - + ((pdbx_release_status == null) ? 0 : pdbx_release_status - .hashCode()); - result = prime - * result - + ((pdbx_replaced_by == null) ? 0 : pdbx_replaced_by.hashCode()); - result = prime * result - + ((pdbx_replaces == null) ? 0 : pdbx_replaces.hashCode()); - result = prime - * result - + ((pdbx_subcomponent_list == null) ? 0 - : pdbx_subcomponent_list.hashCode()); - result = prime * result - + ((pdbx_synonyms == null) ? 0 : pdbx_synonyms.hashCode()); - result = prime * result - + ((pdbx_type == null) ? 0 : pdbx_type.hashCode()); - result = prime * result - + ((polymerType == null) ? 0 : polymerType.hashCode()); - result = prime * result - + ((residueType == null) ? 0 : residueType.hashCode()); - result = prime * result + (standard ? 1231 : 1237); - result = prime - * result - + ((three_letter_code == null) ? 0 : three_letter_code - .hashCode()); - result = prime * result + ((type == null) ? 0 : type.hashCode()); - return result; - } - - @Override - public boolean equals(Object obj) { - if (this == obj) - return true; - if (obj == null) - return false; - if (getClass() != obj.getClass()) - return false; - ChemComp other = (ChemComp) obj; - if (descriptors == null) { - if (other.descriptors != null) - return false; - } else if (!descriptors.equals(other.descriptors)) - return false; - if (formula == null) { - if (other.formula != null) - return false; - } else if (!formula.equals(other.formula)) - return false; - if (formula_weight == null) { - if (other.formula_weight != null) - return false; - } else if (!formula_weight.equals(other.formula_weight)) - return false; - if (id == null) { - if (other.id != null) - return false; - } else if (!id.equals(other.id)) - return false; - if (mon_nstd_flag == null) { - if (other.mon_nstd_flag != null) - return false; - } else if (!mon_nstd_flag.equals(other.mon_nstd_flag)) - return false; - if (mon_nstd_parent_comp_id == null) { - if (other.mon_nstd_parent_comp_id != null) - return false; - } else if (!mon_nstd_parent_comp_id - .equals(other.mon_nstd_parent_comp_id)) - return false; - if (name == null) { - if (other.name != null) - return false; - } else if (!name.equals(other.name)) - return false; - if (one_letter_code == null) { - if (other.one_letter_code != null) - return false; - } else if (!one_letter_code.equals(other.one_letter_code)) - return false; - if (pdbx_ambiguous_flag == null) { - if (other.pdbx_ambiguous_flag != null) - return false; - } else if (!pdbx_ambiguous_flag.equals(other.pdbx_ambiguous_flag)) - return false; - if (pdbx_formal_charge == null) { - if (other.pdbx_formal_charge != null) - return false; - } else if (!pdbx_formal_charge.equals(other.pdbx_formal_charge)) - return false; - if (pdbx_ideal_coordinates_details == null) { - if (other.pdbx_ideal_coordinates_details != null) - return false; - } else if (!pdbx_ideal_coordinates_details - .equals(other.pdbx_ideal_coordinates_details)) - return false; - if (pdbx_ideal_coordinates_missing_flag == null) { - if (other.pdbx_ideal_coordinates_missing_flag != null) - return false; - } else if (!pdbx_ideal_coordinates_missing_flag - .equals(other.pdbx_ideal_coordinates_missing_flag)) - return false; - if (pdbx_initial_date == null) { - if (other.pdbx_initial_date != null) - return false; - } else if (!pdbx_initial_date.equals(other.pdbx_initial_date)) - return false; - if (pdbx_model_coordinates_db_code == null) { - if (other.pdbx_model_coordinates_db_code != null) - return false; - } else if (!pdbx_model_coordinates_db_code - .equals(other.pdbx_model_coordinates_db_code)) - return false; - if (pdbx_model_coordinates_details == null) { - if (other.pdbx_model_coordinates_details != null) - return false; - } else if (!pdbx_model_coordinates_details - .equals(other.pdbx_model_coordinates_details)) - return false; - if (pdbx_model_coordinates_missing_flag == null) { - if (other.pdbx_model_coordinates_missing_flag != null) - return false; - } else if (!pdbx_model_coordinates_missing_flag - .equals(other.pdbx_model_coordinates_missing_flag)) - return false; - if (pdbx_modified_date == null) { - if (other.pdbx_modified_date != null) - return false; - } else if (!pdbx_modified_date.equals(other.pdbx_modified_date)) - return false; - if (pdbx_processing_site == null) { - if (other.pdbx_processing_site != null) - return false; - } else if (!pdbx_processing_site.equals(other.pdbx_processing_site)) - return false; - if (pdbx_release_status == null) { - if (other.pdbx_release_status != null) - return false; - } else if (!pdbx_release_status.equals(other.pdbx_release_status)) - return false; - if (pdbx_replaced_by == null) { - if (other.pdbx_replaced_by != null) - return false; - } else if (!pdbx_replaced_by.equals(other.pdbx_replaced_by)) - return false; - if (pdbx_replaces == null) { - if (other.pdbx_replaces != null) - return false; - } else if (!pdbx_replaces.equals(other.pdbx_replaces)) - return false; - if (pdbx_subcomponent_list == null) { - if (other.pdbx_subcomponent_list != null) - return false; - } else if (!pdbx_subcomponent_list.equals(other.pdbx_subcomponent_list)) - return false; - if (pdbx_synonyms == null) { - if (other.pdbx_synonyms != null) - return false; - } else if (!pdbx_synonyms.equals(other.pdbx_synonyms)) - return false; - if (pdbx_type == null) { - if (other.pdbx_type != null) - return false; - } else if (!pdbx_type.equals(other.pdbx_type)) - return false; - if (polymerType != other.polymerType) - return false; - if (residueType != other.residueType) - return false; - if (standard != other.standard) - return false; - if (three_letter_code == null) { - if (other.three_letter_code != null) - return false; - } else if (!three_letter_code.equals(other.three_letter_code)) - return false; - if (type == null) { - if (other.type != null) - return false; - } else if (!type.equals(other.type)) - return false; - return true; - } - - /** - * Creates a new instance of the dummy empty ChemComp. - * @return - */ - public static ChemComp getEmptyChemComp(){ - ChemComp comp = new ChemComp(); - - comp.setOne_letter_code("?"); - comp.setThree_letter_code("???"); // Main signal for isEmpty() - comp.setPolymerType(PolymerType.unknown); - comp.setResidueType(ResidueType.atomn); - return comp; - } - - /** - * Indicates whether this compound was created with - * @return - */ - public boolean isEmpty() { - // Is this the best flag for it being empty? - return id == null || getThree_letter_code() == null || getThree_letter_code().equals("???"); - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemCompAtom.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemCompAtom.java deleted file mode 100644 index 81d0f64b4b..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemCompAtom.java +++ /dev/null @@ -1,219 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Feb 5, 2013 - * Created by Andreas Prlic - * - * @since 3.0.6 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -import java.io.Serializable; - -/** stores these fields: - * - * _chem_comp_atom.comp_id -_chem_comp_atom.atom_id -_chem_comp_atom.alt_atom_id -_chem_comp_atom.type_symbol -_chem_comp_atom.charge -_chem_comp_atom.pdbx_align -_chem_comp_atom.pdbx_aromatic_flag -_chem_comp_atom.pdbx_leaving_atom_flag -_chem_comp_atom.pdbx_stereo_config -_chem_comp_atom.model_Cartn_x -_chem_comp_atom.model_Cartn_y -_chem_comp_atom.model_Cartn_z -_chem_comp_atom.pdbx_model_Cartn_x_ideal -_chem_comp_atom.pdbx_model_Cartn_y_ideal -_chem_comp_atom.pdbx_model_Cartn_z_ideal -_chem_comp_atom.pdbx_component_comp_id -_chem_comp_atom.pdbx_residue_numbering -_chem_comp_atom.pdbx_component_atom_id -_chem_comp_atom.pdbx_polymer_type -_chem_comp_atom.pdbx_ref_id -_chem_comp_atom.pdbx_component_id -_chem_comp_atom.pdbx_ordinal - * - * @author Andreas Prlic - * - */ -public class ChemCompAtom implements Serializable{ - /** - * - */ - private static final long serialVersionUID = 4070599340294758941L; - String comp_id; - String atom_id; - String alt_atom_id; - String type_symbol; - String charge; - String pdbx_align; - String pdbx_aromatic_flag; - String pdbx_leaving_atom_flag; - String pdbx_stereo_config; - String model_Cartn_x; - String model_Cartn_y; - String model_Cartn_z; - String pdbx_model_Cartn_x_ideal; - String pdbx_model_Cartn_y_ideal; - String pdbx_model_Cartn_z_ideal; - String pdbx_component_comp_id; - String pdbx_residue_numbering; - String pdbx_component_atom_id; - String pdbx_polymer_type; - String pdbx_ref_id; - String pdbx_component_id; - String pdbx_ordinal; - public String getComp_id() { - return comp_id; - } - public void setComp_id(String comp_id) { - this.comp_id = comp_id; - } - public String getAtom_id() { - return atom_id; - } - public void setAtom_id(String atom_id) { - this.atom_id = atom_id; - } - public String getAlt_atom_id() { - return alt_atom_id; - } - public void setAlt_atom_id(String alt_atom_id) { - this.alt_atom_id = alt_atom_id; - } - public String getType_symbol() { - return type_symbol; - } - public void setType_symbol(String type_symbol) { - this.type_symbol = type_symbol; - } - public String getCharge() { - return charge; - } - public void setCharge(String charge) { - this.charge = charge; - } - public String getPdbx_align() { - return pdbx_align; - } - public void setPdbx_align(String pdbx_align) { - this.pdbx_align = pdbx_align; - } - public String getPdbx_aromatic_flag() { - return pdbx_aromatic_flag; - } - public void setPdbx_aromatic_flag(String pdbx_aromatic_flag) { - this.pdbx_aromatic_flag = pdbx_aromatic_flag; - } - public String getPdbx_leaving_atom_flag() { - return pdbx_leaving_atom_flag; - } - public void setPdbx_leaving_atom_flag(String pdbx_leaving_atom_flag) { - this.pdbx_leaving_atom_flag = pdbx_leaving_atom_flag; - } - public String getPdbx_stereo_config() { - return pdbx_stereo_config; - } - public void setPdbx_stereo_config(String pdbx_stereo_config) { - this.pdbx_stereo_config = pdbx_stereo_config; - } - public String getModel_Cartn_x() { - return model_Cartn_x; - } - public void setModel_Cartn_x(String model_Cartn_x) { - this.model_Cartn_x = model_Cartn_x; - } - public String getModel_Cartn_y() { - return model_Cartn_y; - } - public void setModel_Cartn_y(String model_Cartn_y) { - this.model_Cartn_y = model_Cartn_y; - } - public String getModel_Cartn_z() { - return model_Cartn_z; - } - public void setModel_Cartn_z(String model_Cartn_z) { - this.model_Cartn_z = model_Cartn_z; - } - public String getPdbx_model_Cartn_x_ideal() { - return pdbx_model_Cartn_x_ideal; - } - public void setPdbx_model_Cartn_x_ideal(String pdbx_model_Cartn_x_ideal) { - this.pdbx_model_Cartn_x_ideal = pdbx_model_Cartn_x_ideal; - } - public String getPdbx_model_Cartn_y_ideal() { - return pdbx_model_Cartn_y_ideal; - } - public void setPdbx_model_Cartn_y_ideal(String pdbx_model_Cartn_y_ideal) { - this.pdbx_model_Cartn_y_ideal = pdbx_model_Cartn_y_ideal; - } - public String getPdbx_model_Cartn_z_ideal() { - return pdbx_model_Cartn_z_ideal; - } - public void setPdbx_model_Cartn_z_ideal(String pdbx_model_Cartn_z_ideal) { - this.pdbx_model_Cartn_z_ideal = pdbx_model_Cartn_z_ideal; - } - public String getPdbx_component_comp_id() { - return pdbx_component_comp_id; - } - public void setPdbx_component_comp_id(String pdbx_component_comp_id) { - this.pdbx_component_comp_id = pdbx_component_comp_id; - } - public String getPdbx_residue_numbering() { - return pdbx_residue_numbering; - } - public void setPdbx_residue_numbering(String pdbx_residue_numbering) { - this.pdbx_residue_numbering = pdbx_residue_numbering; - } - public String getPdbx_component_atom_id() { - return pdbx_component_atom_id; - } - public void setPdbx_component_atom_id(String pdbx_component_atom_id) { - this.pdbx_component_atom_id = pdbx_component_atom_id; - } - public String getPdbx_polymer_type() { - return pdbx_polymer_type; - } - public void setPdbx_polymer_type(String pdbx_polymer_type) { - this.pdbx_polymer_type = pdbx_polymer_type; - } - public String getPdbx_ref_id() { - return pdbx_ref_id; - } - public void setPdbx_ref_id(String pdbx_ref_id) { - this.pdbx_ref_id = pdbx_ref_id; - } - public String getPdbx_component_id() { - return pdbx_component_id; - } - public void setPdbx_component_id(String pdbx_component_id) { - this.pdbx_component_id = pdbx_component_id; - } - public String getPdbx_ordinal() { - return pdbx_ordinal; - } - public void setPdbx_ordinal(String pdbx_ordinal) { - this.pdbx_ordinal = pdbx_ordinal; - } - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemCompBond.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemCompBond.java deleted file mode 100644 index cd49d3b116..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemCompBond.java +++ /dev/null @@ -1,133 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Feb 5, 2013 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -import java.io.Serializable; - -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - - -/* - * _chem_comp_bond.comp_id -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal - */ -public class ChemCompBond implements Serializable { - - private static final long serialVersionUID = 5905371029161975421L; - - private static final Logger logger = LoggerFactory.getLogger(ChemCompBond.class); - - String comp_id; - String atom_id_1; - String atom_id_2; - String value_order; - String pdbx_aromatic_flag; - String pdbx_stereo_config; - String pdbx_ordinal; - public String getComp_id() { - return comp_id; - } - public void setComp_id(String comp_id) { - this.comp_id = comp_id; - } - public String getAtom_id_1() { - return atom_id_1; - } - public void setAtom_id_1(String atom_id_1) { - this.atom_id_1 = atom_id_1; - } - public String getAtom_id_2() { - return atom_id_2; - } - public void setAtom_id_2(String atom_id_2) { - this.atom_id_2 = atom_id_2; - } - public String getValue_order() { - return value_order; - } - public void setValue_order(String value_order) { - this.value_order = value_order; - } - public String getPdbx_aromatic_flag() { - return pdbx_aromatic_flag; - } - public void setPdbx_aromatic_flag(String pdbx_aromatic_flag) { - this.pdbx_aromatic_flag = pdbx_aromatic_flag; - } - public String getPdbx_stereo_config() { - return pdbx_stereo_config; - } - public void setPdbx_stereo_config(String pdbx_stereo_config) { - this.pdbx_stereo_config = pdbx_stereo_config; - } - public String getPdbx_ordinal() { - return pdbx_ordinal; - } - public void setPdbx_ordinal(String pdbx_ordinal) { - this.pdbx_ordinal = pdbx_ordinal; - } - - /** - * Converts this ChemCompBond's value_order attribute into an int using the - * conversion: - * - * 
      -	 * 	SING -> 1
-	 * 	DOUB -> 2
-	 * 	TRIP -> 3
-	 * 	QUAD -> 4
-	 *
      - * - * Any other values will return -1. - *

      - * (Source: - * http://mmcif.rcsb.org/dictionaries/mmcif_mdb.dic/Items/_chem_comp_bond. - * value_order.html) - * - * @return the numerical value of this ChemCompBond's bond order, or -1 if - * the value is non-numeric or unknown. - */ - public int getNumericalBondOrder() { - if (value_order.equals("SING")) { - return 1; - } else if (value_order.equals("DOUB")) { - return 2; - } else if (value_order.equals("TRIP")) { - return 3; - } else if (value_order.equals("QUAD")) { - return 4; - } else { - logger.error("Unknown or non-numeric value for value_order: " - + value_order); - return -1; - } - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemCompDescriptor.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemCompDescriptor.java deleted file mode 100644 index 7441e59a5a..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/ChemCompDescriptor.java +++ /dev/null @@ -1,136 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Feb 22, 2011 - */ - -package org.biojava.nbio.structure.io.mmcif.model; - -import java.io.Serializable; - - -/** Container object for _pdbx_chem_comp_descriptor - * - * @author Andreas Prlic - * @since 3.2 - * - */ -public class ChemCompDescriptor implements Serializable { - /** - * - */ - private static final long serialVersionUID = 1078685833800736278L; - String comp_id; - String type; - String program; - String program_version; - String descriptor; - - public ChemCompDescriptor(){ - - } - public String getComp_id() { - return comp_id; - } - public void setComp_id(String comp_id) { - this.comp_id = comp_id; - } - public String getType() { - return type; - } - public void setType(String type) { - this.type = type; - } - public String getProgram() { - return program; - } - public void setProgram(String program) { - this.program = program; - } - public String getProgram_version() { - return program_version; - } - public void setProgram_version(String program_version) { - this.program_version = program_version; - } - public String getDescriptor() { - return descriptor; - } - public void setDescriptor(String descriptor) { - this.descriptor = descriptor; - } - @Override - public int hashCode() { - final int prime = 31; - int result = 1; - result = prime * result + ((comp_id == null) ? 0 : comp_id.hashCode()); - result = prime * result - + ((descriptor == null) ? 0 : descriptor.hashCode()); - result = prime * result + ((program == null) ? 0 : program.hashCode()); - result = prime * result - + ((program_version == null) ? 0 : program_version.hashCode()); - result = prime * result + ((type == null) ? 0 : type.hashCode()); - return result; - } - @Override - public boolean equals(Object obj) { - if (this == obj) - return true; - if (obj == null) - return false; - if (getClass() != obj.getClass()) - return false; - ChemCompDescriptor other = (ChemCompDescriptor) obj; - if (comp_id == null) { - if (other.comp_id != null) - return false; - } else if (!comp_id.equals(other.comp_id)) - return false; - if (descriptor == null) { - if (other.descriptor != null) - return false; - } else if (!descriptor.equals(other.descriptor)) - return false; - if (program == null) { - if (other.program != null) - return false; - } else if (!program.equals(other.program)) - return false; - if (program_version == null) { - if (other.program_version != null) - return false; - } else if (!program_version.equals(other.program_version)) - return false; - if (type == null) { - if (other.type != null) - return false; - } else if (!type.equals(other.type)) - return false; - return true; - } - @Override - public String toString() { - return "ChemCompDescriptor [comp_id=" + comp_id + ", type=" + type - + ", program=" + program + ", program_version=" - + program_version + ", descriptor=" + descriptor + "]"; - } - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/DatabasePDBremark.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/DatabasePDBremark.java deleted file mode 100644 index cc30c0a226..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/DatabasePDBremark.java +++ /dev/null @@ -1,41 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at May 31, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -public class DatabasePDBremark extends AbstractBean { - String id; - String text; - public String getId() { - return id; - } - public void setId(String id) { - this.id = id; - } - public String getText() { - return text; - } - public void setText(String text) { - this.text = text; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/DatabasePDBrev.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/DatabasePDBrev.java deleted file mode 100644 index ef884327e3..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/DatabasePDBrev.java +++ /dev/null @@ -1,83 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Apr 27, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -public class DatabasePDBrev { - String date; - String date_original; - String status; - String replaces; - String mod_type; - String num; - - @Override - public String toString(){ - StringBuffer buf = new StringBuffer(); - buf.append("DatabasePDBrev "); - buf.append("mod_type :"); - buf.append(mod_type); - buf.append(" "); - buf.append(this.getDate()); - buf.append( " "); - buf.append( this.getDate_original()); - - return buf.toString(); - } - public String getNum() { - return num; - } - public void setNum(String num) { - this.num = num; - } - public String getDate() { - return date; - } - public void setDate(String date) { - this.date = date; - } - public String getDate_original() { - return date_original; - } - public void setDate_original(String date_original) { - this.date_original = date_original; - } - public String getStatus() { - return status; - } - public void setStatus(String status) { - this.status = status; - } - public String getReplaces() { - return replaces; - } - public void setReplaces(String replaces) { - this.replaces = replaces; - } - public String getMod_type() { - return mod_type; - } - public void setMod_type(String mod_type) { - this.mod_type = mod_type; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/DatabasePdbrevRecord.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/DatabasePdbrevRecord.java deleted file mode 100644 index 72beda99c8..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/DatabasePdbrevRecord.java +++ /dev/null @@ -1,69 +0,0 @@ - -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created by andreas on 10/12/15. - */ - -package org.biojava.nbio.structure.io.mmcif.model; - -import java.io.Serializable; - -public class DatabasePdbrevRecord implements Serializable { - - - private static final long serialVersionUID = 1L; - - String rev_num; - String type; - String details; - - public String getRev_num() { - return rev_num; - } - - public void setRev_num(String rev_num) { - this.rev_num = rev_num; - } - - public String getType() { - return type; - } - - public void setType(String type) { - this.type = type; - } - - public String getDetails() { - return details; - } - - public void setDetails(String details) { - this.details = details; - } - - @Override - public String toString() { - return "DatabasePdbrevRecord{" + - "rev_num='" + rev_num + '\'' + - ", type='" + type + '\'' + - ", details='" + details + '\'' + - '}'; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Entity.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Entity.java deleted file mode 100644 index cae779dee2..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Entity.java +++ /dev/null @@ -1,123 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Mar 4, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** A simple class to represent Entity records in mmCif files - * - * @author Andreas Prlic - * - */ -public class Entity { - String id; - - String type; - String src_method; - String pdbx_description; - String formula_weight; - String pdbx_number_of_molecules; - String details; - String pdbx_mutation; - String pdbx_fragment; - String pdbx_ec; - - @Override - public String toString(){ - StringBuffer buf = new StringBuffer(); - - buf.append("Entity - id:").append(id); - - buf.append(" type:").append(type); - buf.append(" src_method:").append(src_method); - buf.append(" pdbx_description:").append(pdbx_description); - buf.append(" formula_weight:").append(formula_weight); - buf.append(" pdbx_number_f_molecules:").append(pdbx_number_of_molecules); - buf.append(" details:").append(details); - buf.append(" pdbx_mutation:").append(pdbx_mutation); - buf.append(" pdbx_fragment:").append(pdbx_fragment); - buf.append(" pdbx_ec:").append(pdbx_ec); - - return buf.toString(); - } - public String getId() { - return id; - } - public void setId(String id) { - this.id = id; - } - - public String getType() { - return type; - } - public void setType(String type) { - this.type = type; - } - public String getSrc_method() { - return src_method; - } - public void setSrc_method(String src_method) { - this.src_method = src_method; - } - public String getPdbx_description() { - return pdbx_description; - } - public void setPdbx_description(String pdbx_description) { - this.pdbx_description = pdbx_description; - } - public String getFormula_weight() { - return formula_weight; - } - public void setFormula_weight(String formula_weight) { - this.formula_weight = formula_weight; - } - public String getPdbx_number_of_molecules() { - return pdbx_number_of_molecules; - } - public void setPdbx_number_of_molecules(String pdbx_number_of_molecules) { - this.pdbx_number_of_molecules = pdbx_number_of_molecules; - } - public String getDetails() { - return details; - } - public void setDetails(String details) { - this.details = details; - } - public String getPdbx_mutation() { - return pdbx_mutation; - } - public void setPdbx_mutation(String pdbx_mutation) { - this.pdbx_mutation = pdbx_mutation; - } - public String getPdbx_fragment() { - return pdbx_fragment; - } - public void setPdbx_fragment(String pdbx_fragment) { - this.pdbx_fragment = pdbx_fragment; - } - public String getPdbx_ec() { - return pdbx_ec; - } - public void setPdbx_ec(String pdbx_ec) { - this.pdbx_ec = pdbx_ec; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntityPoly.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntityPoly.java deleted file mode 100644 index 9c27e34a14..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntityPoly.java +++ /dev/null @@ -1,152 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Jun 1, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - - -/** - * Container for _entity_poly records - * - * - * @since 5.0 - * @author Jose Duarte - */ -public class EntityPoly extends AbstractBean{ - String entity_id; - String type; - String nstd_chirality; - String nstd_linkage; - String nstd_monomer; - String type_details; - String pdbx_seq_one_letter_code; - String pdbx_seq_one_letter_code_can; - String pdbx_strand_id; - String pdbx_target_identifier; - public String getEntity_id() { - return entity_id; - } - public void setEntity_id(String entity_id) { - this.entity_id = entity_id; - } - /** - * @return the type - */ - public String getType() { - return type; - } - /** - * @param type the type to set - */ - public void setType(String type) { - this.type = type; - } - /** - * @return the nstd_chirality - */ - public String getNstd_chirality() { - return nstd_chirality; - } - /** - * @param nstd_chirality the nstd_chirality to set - */ - public void setNstd_chirality(String nstd_chirality) { - this.nstd_chirality = nstd_chirality; - } - /** - * @return the nstd_linkage - */ - public String getNstd_linkage() { - return nstd_linkage; - } - /** - * @param nstd_linkage the nstd_linkage to set - */ - public void setNstd_linkage(String nstd_linkage) { - this.nstd_linkage = nstd_linkage; - } - /** - * @return the nstd_monomer - */ - public String getNstd_monomer() { - return nstd_monomer; - } - /** - * @param nstd_monomer the nstd_monomer to set - */ - public void setNstd_monomer(String nstd_monomer) { - this.nstd_monomer = nstd_monomer; - } - /** - * @return the type_details - */ - public String getType_details() { - return type_details; - } - /** - * @param type_details the type_details to set - */ - public void setType_details(String type_details) { - this.type_details = type_details; - } - /** - * @return the pdbx_seq_one_letter_code - */ - public String getPdbx_seq_one_letter_code() { - return pdbx_seq_one_letter_code; - } - /** - * @param pdbx_seq_one_letter_code the pdbx_seq_one_letter_code to set - */ - public void setPdbx_seq_one_letter_code(String pdbx_seq_one_letter_code) { - this.pdbx_seq_one_letter_code = pdbx_seq_one_letter_code; - } - /** - * @return the pdbx_seq_one_letter_code_can - */ - public String getPdbx_seq_one_letter_code_can() { - return pdbx_seq_one_letter_code_can; - } - /** - * @param pdbx_seq_one_letter_code_can the pdbx_seq_one_letter_code_can to set - */ - public void setPdbx_seq_one_letter_code_can(String pdbx_seq_one_letter_code_can) { - this.pdbx_seq_one_letter_code_can = pdbx_seq_one_letter_code_can; - } - /** - * @return the pdbx_strand_id - */ - public String getPdbx_strand_id() { - return pdbx_strand_id; - } - /** - * @param pdbx_strand_id the pdbx_strand_id to set - */ - public void setPdbx_strand_id(String pdbx_strand_id) { - this.pdbx_strand_id = pdbx_strand_id; - } - public String getPdbx_target_identifier() { - return pdbx_target_identifier; - } - public void setPdbx_target_identifier(String pdbx_target_identifier) { - this.pdbx_target_identifier = pdbx_target_identifier; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntityPolySeq.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntityPolySeq.java deleted file mode 100644 index 968ab47acd..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntityPolySeq.java +++ /dev/null @@ -1,72 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Jun 1, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - - -/** Container for _entity_poly_seq records - * -

      -Field Name     mmCIF Data Item
-Section        n.a.
-Serial_No      n.a.
-Strand_ID      PDB strand ID corresponding to _entity_poly_seq.entity_id (*)
-Strand_Length  derived
-Residue_Names  _entity_poly_seq.mon_id
-
      - * (*) Chemically distinct polymer strands are mapped to mmCIF entities. Two - * instances or the same polymer molecule in the PDB data file are mapped to a - * single mmCIF entity (eg. a homodimer). For convenience a table of monomer - * label correspondences is stored in category PDBX_POLY_SEQ_SCHEME - * @author Andreas Prlic - * @since 1.7 - */ -public class EntityPolySeq extends AbstractBean{ - String entity_id; - String num; - String mon_id; - String hetero; - public String getEntity_id() { - return entity_id; - } - public void setEntity_id(String entity_id) { - this.entity_id = entity_id; - } - public String getNum() { - return num; - } - public void setNum(String num) { - this.num = num; - } - public String getMon_id() { - return mon_id; - } - public void setMon_id(String mon_id) { - this.mon_id = mon_id; - } - public String getHetero() { - return hetero; - } - public void setHetero(String hetero) { - this.hetero = hetero; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntitySrcGen.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntitySrcGen.java deleted file mode 100644 index 19082a8932..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntitySrcGen.java +++ /dev/null @@ -1,427 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - - -/** - * Data items in the ENTITY_SRC_GEN category record details of - * the source from which the entity was obtained in cases - * where the source was genetically manipulated. The - * following are treated separately: items pertaining to the tissue - * from which the gene was obtained, items pertaining to the host - * organism for gene expression and items pertaining to the actual - * producing organism (plasmid). - * - * @author Andreas Prlic - * - */ -public class EntitySrcGen { - String entity_id; - String expression_system_id; - String gene_src_common_name; - String gene_src_details ; - String gene_src_dev_stage ; - String gene_src_genus ; - String gene_src_species ; - String gene_src_strain ; - String gene_src_tissue ; - String gene_src_tissue_fraction; - String host_org_common_name ; - String host_org_details ; - String host_org_genus ; - String host_org_species; - String host_org_strain ; - String pdbx_src_id; - String pdbx_seq_type; - String pdbx_alt_source_flag; - String pdbx_beg_seq_num; - String pdbx_end_seq_num; - String pdbx_description; - String pdbx_gene_src_atcc; - String pdbx_gene_src_cell ; - String pdbx_gene_src_cell_line; - String pdbx_gene_src_cellular_location; - String pdbx_gene_src_fragment ; - String pdbx_gene_src_gene ; - String pdbx_gene_src_ncbi_taxonomy_id; - String pdbx_gene_src_organ ; - String pdbx_gene_src_organelle ; - String pdbx_gene_src_plasmid ; - String pdbx_gene_src_plasmid_name ; - String pdbx_gene_src_scientific_name; - String pdbx_gene_src_variant ; - String pdbx_host_org_atcc ; - String pdbx_host_org_cell ; - String pdbx_host_org_cell_line ; - String pdbx_host_org_cellular_location ; - String pdbx_host_org_culture_collection ; - String pdbx_host_org_gene ; - String pdbx_host_org_ncbi_taxonomy_id ; - String pdbx_host_org_organ ; - String pdbx_host_org_organelle ; - String pdbx_host_org_scientific_name ; - String pdbx_host_org_strain ; - String pdbx_host_org_tissue ; - String pdbx_host_org_tissue_fraction ; - String pdbx_host_org_variant ; - String pdbx_host_org_vector ; - String pdbx_host_org_vector_type; - String plasmid_details ; - String plasmid_name ; - String start_construct_id ; - public String getEntity_id() { - return entity_id; - } - public void setEntity_id(String entity_id) { - this.entity_id = entity_id; - } - public String getExpression_system_id() { - return expression_system_id; - } - public void setExpression_system_id(String expression_system_id) { - this.expression_system_id = expression_system_id; - } - public String getGene_src_common_name() { - return gene_src_common_name; - } - public void setGene_src_common_name(String gene_src_common_name) { - this.gene_src_common_name = gene_src_common_name; - } - public String getGene_src_details() { - return gene_src_details; - } - public void setGene_src_details(String gene_src_details) { - this.gene_src_details = gene_src_details; - } - public String getGene_src_dev_stage() { - return gene_src_dev_stage; - } - public void setGene_src_dev_stage(String gene_src_dev_stage) { - this.gene_src_dev_stage = gene_src_dev_stage; - } - public String getGene_src_genus() { - return gene_src_genus; - } - public void setGene_src_genus(String gene_src_genus) { - this.gene_src_genus = gene_src_genus; - } - public String getGene_src_species() { - return gene_src_species; - } - public void setGene_src_species(String gene_src_species) { - this.gene_src_species = gene_src_species; - } - public String getGene_src_strain() { - return gene_src_strain; - } - public void setGene_src_strain(String gene_src_strain) { - this.gene_src_strain = gene_src_strain; - } - public String getGene_src_tissue() { - return gene_src_tissue; - } - public void setGene_src_tissue(String gene_src_tissue) { - this.gene_src_tissue = gene_src_tissue; - } - public String getGene_src_tissue_fraction() { - return gene_src_tissue_fraction; - } - public void setGene_src_tissue_fraction(String gene_src_tissue_fraction) { - this.gene_src_tissue_fraction = gene_src_tissue_fraction; - } - public String getHost_org_common_name() { - return host_org_common_name; - } - public void setHost_org_common_name(String host_org_common_name) { - this.host_org_common_name = host_org_common_name; - } - public String getHost_org_details() { - return host_org_details; - } - public void setHost_org_details(String host_org_details) { - this.host_org_details = host_org_details; - } - public String getHost_org_genus() { - return host_org_genus; - } - public void setHost_org_genus(String host_org_genus) { - this.host_org_genus = host_org_genus; - } - public String getHost_org_species() { - return host_org_species; - } - public void setHost_org_species(String host_org_species) { - this.host_org_species = host_org_species; - } - public String getHost_org_strain() { - return host_org_strain; - } - public void setHost_org_strain(String host_org_strain) { - this.host_org_strain = host_org_strain; - } - public String getPdbx_src_id() { - return pdbx_src_id; - } - public void setPdbx_src_id(String pdbx_src_id) { - this.pdbx_src_id = pdbx_src_id; - } - public String getPdbx_seq_type() { - return pdbx_seq_type; - } - public void setPdbx_seq_type(String pdbx_seq_type) { - this.pdbx_seq_type = pdbx_seq_type; - } - /** - * @return the pdbx_alt_source_flag - */ - public String getPdbx_alt_source_flag() { - return pdbx_alt_source_flag; - } - /** - * @param pdbx_alt_source_flag the pdbx_alt_source_flag to set - */ - public void setPdbx_alt_source_flag(String pdbx_alt_source_flag) { - this.pdbx_alt_source_flag = pdbx_alt_source_flag; - } - public String getPdbx_beg_seq_num() { - return pdbx_beg_seq_num; - } - public void setPdbx_beg_seq_num(String pdbx_beg_seq_num) { - this.pdbx_beg_seq_num = pdbx_beg_seq_num; - } - public String getPdbx_end_seq_num() { - return pdbx_end_seq_num; - } - public void setPdbx_end_seq_num(String pdbx_end_seq_num) { - this.pdbx_end_seq_num = pdbx_end_seq_num; - } - public String getPdbx_description() { - return pdbx_description; - } - public void setPdbx_description(String pdbx_description) { - this.pdbx_description = pdbx_description; - } - public String getPdbx_gene_src_atcc() { - return pdbx_gene_src_atcc; - } - public void setPdbx_gene_src_atcc(String pdbx_gene_src_atcc) { - this.pdbx_gene_src_atcc = pdbx_gene_src_atcc; - } - public String getPdbx_gene_src_cell() { - return pdbx_gene_src_cell; - } - public void setPdbx_gene_src_cell(String pdbx_gene_src_cell) { - this.pdbx_gene_src_cell = pdbx_gene_src_cell; - } - public String getPdbx_gene_src_cell_line() { - return pdbx_gene_src_cell_line; - } - public void setPdbx_gene_src_cell_line(String pdbx_gene_src_cell_line) { - this.pdbx_gene_src_cell_line = pdbx_gene_src_cell_line; - } - public String getPdbx_gene_src_cellular_location() { - return pdbx_gene_src_cellular_location; - } - public void setPdbx_gene_src_cellular_location( - String pdbx_gene_src_cellular_location) { - this.pdbx_gene_src_cellular_location = pdbx_gene_src_cellular_location; - } - public String getPdbx_gene_src_fragment() { - return pdbx_gene_src_fragment; - } - public void setPdbx_gene_src_fragment(String pdbx_gene_src_fragment) { - this.pdbx_gene_src_fragment = pdbx_gene_src_fragment; - } - public String getPdbx_gene_src_gene() { - return pdbx_gene_src_gene; - } - public void setPdbx_gene_src_gene(String pdbx_gene_src_gene) { - this.pdbx_gene_src_gene = pdbx_gene_src_gene; - } - public String getPdbx_gene_src_ncbi_taxonomy_id() { - return pdbx_gene_src_ncbi_taxonomy_id; - } - public void setPdbx_gene_src_ncbi_taxonomy_id( - String pdbx_gene_src_ncbi_taxonomy_id) { - this.pdbx_gene_src_ncbi_taxonomy_id = pdbx_gene_src_ncbi_taxonomy_id; - } - public String getPdbx_gene_src_organ() { - return pdbx_gene_src_organ; - } - public void setPdbx_gene_src_organ(String pdbx_gene_src_organ) { - this.pdbx_gene_src_organ = pdbx_gene_src_organ; - } - public String getPdbx_gene_src_organelle() { - return pdbx_gene_src_organelle; - } - public void setPdbx_gene_src_organelle(String pdbx_gene_src_organelle) { - this.pdbx_gene_src_organelle = pdbx_gene_src_organelle; - } - public String getPdbx_gene_src_plasmid() { - return pdbx_gene_src_plasmid; - } - public void setPdbx_gene_src_plasmid(String pdbx_gene_src_plasmid) { - this.pdbx_gene_src_plasmid = pdbx_gene_src_plasmid; - } - public String getPdbx_gene_src_plasmid_name() { - return pdbx_gene_src_plasmid_name; - } - public void setPdbx_gene_src_plasmid_name(String pdbx_gene_src_plasmid_name) { - this.pdbx_gene_src_plasmid_name = pdbx_gene_src_plasmid_name; - } - public String getPdbx_gene_src_scientific_name() { - return pdbx_gene_src_scientific_name; - } - public void setPdbx_gene_src_scientific_name( - String pdbx_gene_src_scientific_name) { - this.pdbx_gene_src_scientific_name = pdbx_gene_src_scientific_name; - } - public String getPdbx_gene_src_variant() { - return pdbx_gene_src_variant; - } - public void setPdbx_gene_src_variant(String pdbx_gene_src_variant) { - this.pdbx_gene_src_variant = pdbx_gene_src_variant; - } - public String getPdbx_host_org_atcc() { - return pdbx_host_org_atcc; - } - public void setPdbx_host_org_atcc(String pdbx_host_org_atcc) { - this.pdbx_host_org_atcc = pdbx_host_org_atcc; - } - public String getPdbx_host_org_cell() { - return pdbx_host_org_cell; - } - public void setPdbx_host_org_cell(String pdbx_host_org_cell) { - this.pdbx_host_org_cell = pdbx_host_org_cell; - } - public String getPdbx_host_org_cell_line() { - return pdbx_host_org_cell_line; - } - public void setPdbx_host_org_cell_line(String pdbx_host_org_cell_line) { - this.pdbx_host_org_cell_line = pdbx_host_org_cell_line; - } - public String getPdbx_host_org_cellular_location() { - return pdbx_host_org_cellular_location; - } - public void setPdbx_host_org_cellular_location( - String pdbx_host_org_cellular_location) { - this.pdbx_host_org_cellular_location = pdbx_host_org_cellular_location; - } - public String getPdbx_host_org_culture_collection() { - return pdbx_host_org_culture_collection; - } - public void setPdbx_host_org_culture_collection( - String pdbx_host_org_culture_collection) { - this.pdbx_host_org_culture_collection = pdbx_host_org_culture_collection; - } - public String getPdbx_host_org_gene() { - return pdbx_host_org_gene; - } - public void setPdbx_host_org_gene(String pdbx_host_org_gene) { - this.pdbx_host_org_gene = pdbx_host_org_gene; - } - public String getPdbx_host_org_ncbi_taxonomy_id() { - return pdbx_host_org_ncbi_taxonomy_id; - } - public void setPdbx_host_org_ncbi_taxonomy_id( - String pdbx_host_org_ncbi_taxonomy_id) { - this.pdbx_host_org_ncbi_taxonomy_id = pdbx_host_org_ncbi_taxonomy_id; - } - public String getPdbx_host_org_organ() { - return pdbx_host_org_organ; - } - public void setPdbx_host_org_organ(String pdbx_host_org_organ) { - this.pdbx_host_org_organ = pdbx_host_org_organ; - } - public String getPdbx_host_org_organelle() { - return pdbx_host_org_organelle; - } - public void setPdbx_host_org_organelle(String pdbx_host_org_organelle) { - this.pdbx_host_org_organelle = pdbx_host_org_organelle; - } - public String getPdbx_host_org_scientific_name() { - return pdbx_host_org_scientific_name; - } - public void setPdbx_host_org_scientific_name( - String pdbx_host_org_scientific_name) { - this.pdbx_host_org_scientific_name = pdbx_host_org_scientific_name; - } - public String getPdbx_host_org_strain() { - return pdbx_host_org_strain; - } - public void setPdbx_host_org_strain(String pdbx_host_org_strain) { - this.pdbx_host_org_strain = pdbx_host_org_strain; - } - public String getPdbx_host_org_tissue() { - return pdbx_host_org_tissue; - } - public void setPdbx_host_org_tissue(String pdbx_host_org_tissue) { - this.pdbx_host_org_tissue = pdbx_host_org_tissue; - } - public String getPdbx_host_org_tissue_fraction() { - return pdbx_host_org_tissue_fraction; - } - public void setPdbx_host_org_tissue_fraction( - String pdbx_host_org_tissue_fraction) { - this.pdbx_host_org_tissue_fraction = pdbx_host_org_tissue_fraction; - } - public String getPdbx_host_org_variant() { - return pdbx_host_org_variant; - } - public void setPdbx_host_org_variant(String pdbx_host_org_variant) { - this.pdbx_host_org_variant = pdbx_host_org_variant; - } - public String getPdbx_host_org_vector() { - return pdbx_host_org_vector; - } - public void setPdbx_host_org_vector(String pdbx_host_org_vector) { - this.pdbx_host_org_vector = pdbx_host_org_vector; - } - public String getPdbx_host_org_vector_type() { - return pdbx_host_org_vector_type; - } - public void setPdbx_host_org_vector_type(String pdbx_host_org_vector_type) { - this.pdbx_host_org_vector_type = pdbx_host_org_vector_type; - } - public String getPlasmid_details() { - return plasmid_details; - } - public void setPlasmid_details(String plasmid_details) { - this.plasmid_details = plasmid_details; - } - public String getPlasmid_name() { - return plasmid_name; - } - public void setPlasmid_name(String plasmid_name) { - this.plasmid_name = plasmid_name; - } - public String getStart_construct_id() { - return start_construct_id; - } - public void setStart_construct_id(String start_construct_id) { - this.start_construct_id = start_construct_id; - } - - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntitySrcNat.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntitySrcNat.java deleted file mode 100644 index 2429751685..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntitySrcNat.java +++ /dev/null @@ -1,224 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do t have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Aug 12, 2013 - * Author: Andreas Prlic - */ - -package org.biojava.nbio.structure.io.mmcif.model; - -/** Data items in the ENTITY_SRC_NAT category record details of - the source from which the entity was obtained in cases - where the entity was isolated directly from a natural tissue. - */ -public class EntitySrcNat { - String common_name ; - String details ; - String entity_id ; - String genus ; - String pdbx_atcc ; - String pdbx_cell ; - String pdbx_cell_line ; - String pdbx_cellular_location; - String pdbx_fragment ; - String pdbx_ncbi_taxonomy_id; - String pdbx_organ ; - String pdbx_organelle; - String pdbx_organism_scientific; - String pdbx_plasmid_details ; - String pdbx_plasmid_name ; - String pdbx_secretion ; - String pdbx_variant ; - String pdbx_src_id; - String pdbx_alt_source_flag; - String pdbx_beg_seq_num; - String pdbx_end_seq_num; - String pdbx_leaving_atom_flag; - String species ; - String strain ; - String tissue ; - String tissue_fraction; - - public String getCommon_name() { - return common_name; - } - public void setCommon_name(String common_name) { - this.common_name = common_name; - } - public String getDetails() { - return details; - } - public void setDetails(String details) { - this.details = details; - } - public String getEntity_id() { - return entity_id; - } - public void setEntity_id(String entity_id) { - this.entity_id = entity_id; - } - public String getGenus() { - return genus; - } - public void setGenus(String genus) { - this.genus = genus; - } - public String getPdbx_atcc() { - return pdbx_atcc; - } - public void setPdbx_atcc(String pdbx_atcc) { - this.pdbx_atcc = pdbx_atcc; - } - public String getPdbx_cell() { - return pdbx_cell; - } - public void setPdbx_cell(String pdbx_cell) { - this.pdbx_cell = pdbx_cell; - } - public String getPdbx_cell_line() { - return pdbx_cell_line; - } - public void setPdbx_cell_line(String pdbx_cell_line) { - this.pdbx_cell_line = pdbx_cell_line; - } - public String getPdbx_cellular_location() { - return pdbx_cellular_location; - } - public void setPdbx_cellular_location(String pdbx_cellular_location) { - this.pdbx_cellular_location = pdbx_cellular_location; - } - public String getPdbx_fragment() { - return pdbx_fragment; - } - public void setPdbx_fragment(String pdbx_fragment) { - this.pdbx_fragment = pdbx_fragment; - } - public String getPdbx_ncbi_taxonomy_id() { - return pdbx_ncbi_taxonomy_id; - } - public void setPdbx_ncbi_taxonomy_id(String pdbx_ncbi_taxonomy_id) { - this.pdbx_ncbi_taxonomy_id = pdbx_ncbi_taxonomy_id; - } - public String getPdbx_organ() { - return pdbx_organ; - } - public void setPdbx_organ(String pdbx_organ) { - this.pdbx_organ = pdbx_organ; - } - public String getPdbx_organelle() { - return pdbx_organelle; - } - public void setPdbx_organelle(String pdbx_organelle) { - this.pdbx_organelle = pdbx_organelle; - } - public String getPdbx_organism_scientific() { - return pdbx_organism_scientific; - } - public void setPdbx_organism_scientific(String pdbx_organism_scientific) { - this.pdbx_organism_scientific = pdbx_organism_scientific; - } - public String getPdbx_plasmid_details() { - return pdbx_plasmid_details; - } - public void setPdbx_plasmid_details(String pdbx_plasmid_details) { - this.pdbx_plasmid_details = pdbx_plasmid_details; - } - public String getPdbx_plasmid_name() { - return pdbx_plasmid_name; - } - public void setPdbx_plasmid_name(String pdbx_plasmid_name) { - this.pdbx_plasmid_name = pdbx_plasmid_name; - } - public String getPdbx_secretion() { - return pdbx_secretion; - } - public void setPdbx_secretion(String pdbx_secretion) { - this.pdbx_secretion = pdbx_secretion; - } - public String getPdbx_variant() { - return pdbx_variant; - } - public void setPdbx_variant(String pdbx_variant) { - this.pdbx_variant = pdbx_variant; - } - public String getSpecies() { - return species; - } - public void setSpecies(String species) { - this.species = species; - } - public String getStrain() { - return strain; - } - public void setStrain(String strain) { - this.strain = strain; - } - public String getTissue() { - return tissue; - } - public void setTissue(String tissue) { - this.tissue = tissue; - } - public String getTissue_fraction() { - return tissue_fraction; - } - public void setTissue_fraction(String tissue_fraction) { - this.tissue_fraction = tissue_fraction; - } - - public String getPdbx_src_id() { - return pdbx_src_id; - } - - public void setPdbx_src_id(String pdbx_src_id) { - this.pdbx_src_id = pdbx_src_id; - } - - public String getPdbx_alt_source_flag() { - return pdbx_alt_source_flag; - } - - public void setPdbx_alt_source_flag(String pdbx_alt_source_flag) { - this.pdbx_alt_source_flag = pdbx_alt_source_flag; - } - - public String getPdbx_beg_seq_num() { - return pdbx_beg_seq_num; - } - - public void setPdbx_beg_seq_num(String pdbx_beg_seq_num) { - this.pdbx_beg_seq_num = pdbx_beg_seq_num; - } - - public String getPdbx_end_seq_num() { - return pdbx_end_seq_num; - } - - public void setPdbx_end_seq_num(String pdbx_end_seq_num) { - this.pdbx_end_seq_num = pdbx_end_seq_num; - } - - public String getPdbx_leaving_atom_flag() { - return pdbx_leaving_atom_flag; - } - - public void setPdbx_leaving_atom_flag(String pdbx_leaving_atom_flag) { - this.pdbx_leaving_atom_flag = pdbx_leaving_atom_flag; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntitySrcSyn.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntitySrcSyn.java deleted file mode 100644 index eb1511990f..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/EntitySrcSyn.java +++ /dev/null @@ -1,75 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Aug 12, 2013 - * Author: Andreas Prlic - */ - -package org.biojava.nbio.structure.io.mmcif.model; - -/** - * PDBX_ENTITY_SRC_SYN records the details about each chemically - * synthesized molecule (entity) in the asymmetric unit. - * @author Andreas Prlic - * - */ -public class EntitySrcSyn { - String details; - String entity_id; - String ncbi_taxonomy_id; - String organism_common_name; - String organism_scientific; - String strain; - public String getDetails() { - return details; - } - public void setDetails(String details) { - this.details = details; - } - public String getEntity_id() { - return entity_id; - } - public void setEntity_id(String entity_id) { - this.entity_id = entity_id; - } - public String getNcbi_taxonomy_id() { - return ncbi_taxonomy_id; - } - public void setNcbi_taxonomy_id(String ncbi_taxonomy_id) { - this.ncbi_taxonomy_id = ncbi_taxonomy_id; - } - public String getOrganism_common_name() { - return organism_common_name; - } - public void setOrganism_common_name(String organism_common_name) { - this.organism_common_name = organism_common_name; - } - public String getOrganism_scientific() { - return organism_scientific; - } - public void setOrganism_scientific(String organism_scientific) { - this.organism_scientific = organism_scientific; - } - public String getStrain() { - return strain; - } - public void setStrain(String strain) { - this.strain = strain; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Exptl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Exptl.java deleted file mode 100644 index ee6644cc34..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Exptl.java +++ /dev/null @@ -1,98 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at May 31, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -public class Exptl extends AbstractBean{ - String entry_id; - String method; - String crystals_number; - String absorpt_coefficient_mu; - String absorpt_correction_T_max; - String absorpt_correction_T_min ; - String absorpt_correction_type ; - String absorpt_process_details ; - String details; - String method_details; - - public String getEntry_id() { - return entry_id; - } - public void setEntry_id(String entry_id) { - this.entry_id = entry_id; - } - public String getMethod() { - return method; - } - public void setMethod(String method) { - this.method = method; - } - public String getCrystals_number() { - return crystals_number; - } - public void setCrystals_number(String crystals_number) { - this.crystals_number = crystals_number; - } - public String getAbsorpt_coefficient_mu() { - return absorpt_coefficient_mu; - } - public void setAbsorpt_coefficient_mu(String absorpt_coefficient_mu) { - this.absorpt_coefficient_mu = absorpt_coefficient_mu; - } - public String getAbsorpt_correction_T_max() { - return absorpt_correction_T_max; - } - public void setAbsorpt_correction_T_max(String absorpt_correction_T_max) { - this.absorpt_correction_T_max = absorpt_correction_T_max; - } - public String getAbsorpt_correction_T_min() { - return absorpt_correction_T_min; - } - public void setAbsorpt_correction_T_min(String absorpt_correction_T_min) { - this.absorpt_correction_T_min = absorpt_correction_T_min; - } - public String getAbsorpt_correction_type() { - return absorpt_correction_type; - } - public void setAbsorpt_correction_type(String absorpt_correction_type) { - this.absorpt_correction_type = absorpt_correction_type; - } - public String getAbsorpt_process_details() { - return absorpt_process_details; - } - public void setAbsorpt_process_details(String absorpt_process_details) { - this.absorpt_process_details = absorpt_process_details; - } - public String getDetails() { - return details; - } - public void setDetails(String details) { - this.details = details; - } - public String getMethod_details() { - return method_details; - } - public void setMethod_details(String method_details) { - this.method_details = method_details; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/IgnoreField.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/IgnoreField.java deleted file mode 100644 index 8c6db21e92..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/IgnoreField.java +++ /dev/null @@ -1,37 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -import java.lang.annotation.ElementType; -import java.lang.annotation.Retention; -import java.lang.annotation.RetentionPolicy; -import java.lang.annotation.Target; - -/** - * Annotation indicating that a specific field of a bean should be ignored - * @author Spencer Bliven - * - */ -@Target(value=ElementType.FIELD) -@Retention(value=RetentionPolicy.RUNTIME) -public @interface IgnoreField { - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxAuditRevisionHistory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxAuditRevisionHistory.java deleted file mode 100644 index 8c298f84f1..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxAuditRevisionHistory.java +++ /dev/null @@ -1,66 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** - * Bean to hold data for _pdbx_audit_revision_history mmCIF category. - * - * @author Peter Rose - * @since 5.0 - */ -public class PdbxAuditRevisionHistory extends AbstractBean { - private String ordinal; - private String data_content_type; - private String major_revision; - private String minor_revision; - private String revision_date; - - public String getOrdinal() { - return ordinal; - } - public void setOrdinal(String ordinal) { - this.ordinal = ordinal; - } - public String getData_content_type() { - return data_content_type; - } - public void setData_content_type(String data_content_type) { - this.data_content_type = data_content_type; - } - public String getMajor_revision() { - return major_revision; - } - public void setMajor_revision(String major_revision) { - this.major_revision = major_revision; - } - public String getMinor_revision() { - return minor_revision; - } - public void setMinor_revision(String minor_revision) { - this.minor_revision = minor_revision; - } - public String getRevision_date() { - return revision_date; - } - public void setRevision_date(String revision_date) { - this.revision_date = revision_date; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxChemCompDescriptor.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxChemCompDescriptor.java deleted file mode 100644 index 95eb36ce7a..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxChemCompDescriptor.java +++ /dev/null @@ -1,71 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on 7 Feb 2013 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/* -_pdbx_chem_comp_descriptor.comp_id -_pdbx_chem_comp_descriptor.type -_pdbx_chem_comp_descriptor.program -_pdbx_chem_comp_descriptor.program_version -_pdbx_chem_comp_descriptor.descriptor - */ -public class PdbxChemCompDescriptor { - String comp_id; - String type; - String program; - String program_version; - String identifier; - - public String getComp_id() { - return comp_id; - } - public void setComp_id(String comp_id) { - this.comp_id = comp_id; - } - public String getType() { - return type; - } - public void setType(String type) { - this.type = type; - } - public String getProgram() { - return program; - } - public void setProgram(String program) { - this.program = program; - } - public String getProgram_version() { - return program_version; - } - public void setProgram_version(String program_version) { - this.program_version = program_version; - } - public String getIdentifier() { - return identifier; - } - public void setIdentifier(String identifier) { - this.identifier = identifier; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxChemCompIdentifier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxChemCompIdentifier.java deleted file mode 100644 index d47ee1b9d7..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxChemCompIdentifier.java +++ /dev/null @@ -1,73 +0,0 @@ -/** - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created on Feb 5, 2013 - * Created by Andreas Prlic - * - * @since 3.0.2 - */ -package org.biojava.nbio.structure.io.mmcif.model; - - - -/** -_pdbx_chem_comp_identifier.comp_id -_pdbx_chem_comp_identifier.type -_pdbx_chem_comp_identifier.program -_pdbx_chem_comp_identifier.program_version -_pdbx_chem_comp_identifier.identifier - */ -public class PdbxChemCompIdentifier { - String comp_id; - String type; - String program; - String program_version; - String identifier; - - public String getComp_id() { - return comp_id; - } - public void setComp_id(String comp_id) { - this.comp_id = comp_id; - } - public String getType() { - return type; - } - public void setType(String type) { - this.type = type; - } - public String getProgram() { - return program; - } - public void setProgram(String program) { - this.program = program; - } - public String getProgram_version() { - return program_version; - } - public void setProgram_version(String program_version) { - this.program_version = program_version; - } - public String getIdentifier() { - return identifier; - } - public void setIdentifier(String identifier) { - this.identifier = identifier; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxDatabaseStatus.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxDatabaseStatus.java deleted file mode 100644 index e96672c441..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxDatabaseStatus.java +++ /dev/null @@ -1,101 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** - * Bean to hold data for _pdbx_database_status mmCIF category. - * - * @author Peter Rose - * @since 5.0 - */ -public class PdbxDatabaseStatus extends AbstractBean { - private String status_code; - private String entry_id; - private String recvd_initial_deposition_date; - private String deposit_site; - private String process_site; - private String SG_entry; - private String pdb_format_compatible; - private String status_code_mr; - private String status_code_sf; - private String status_code_cs; - - public String getStatus_code() { - return status_code; - } - public void setStatus_code(String status_code) { - this.status_code = status_code; - } - public String getEntry_id() { - return entry_id; - } - public void setEntry_id(String entry_id) { - this.entry_id = entry_id; - } - public String getRecvd_initial_deposition_date() { - return recvd_initial_deposition_date; - } - public void setRecvd_initial_deposition_date(String recvd_initial_deposition_date) { - this.recvd_initial_deposition_date = recvd_initial_deposition_date; - } - public String getDeposit_site() { - return deposit_site; - } - public void setDeposit_site(String deposit_site) { - this.deposit_site = deposit_site; - } - public String getProcess_site() { - return process_site; - } - public void setProcess_site(String process_site) { - this.process_site = process_site; - } - public String getSG_entry() { - return SG_entry; - } - public void setSG_entry(String sG_entry) { - SG_entry = sG_entry; - } - public String getPdb_format_compatible() { - return pdb_format_compatible; - } - public void setPdb_format_compatible(String pdb_format_compatible) { - this.pdb_format_compatible = pdb_format_compatible; - } - public String getStatus_code_mr() { - return status_code_mr; - } - public void setStatus_code_mr(String status_code_mr) { - this.status_code_mr = status_code_mr; - } - public String getStatus_code_sf() { - return status_code_sf; - } - public void setStatus_code_sf(String status_code_sf) { - this.status_code_sf = status_code_sf; - } - public String getStatus_code_cs() { - return status_code_cs; - } - public void setStatus_code_cs(String status_code_cs) { - this.status_code_cs = status_code_cs; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxEntityNonPoly.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxEntityNonPoly.java deleted file mode 100644 index f3776d14e7..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxEntityNonPoly.java +++ /dev/null @@ -1,51 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** A bean for the Pdbx_entity_nonpoly category. - * - * @author Andreas Prlic - * @since 1.7 - */ -public class PdbxEntityNonPoly { - String entity_id; - String name; - String comp_id; - public String getEntity_id() { - return entity_id; - } - public void setEntity_id(String entity_id) { - this.entity_id = entity_id; - } - public String getName() { - return name; - } - public void setName(String name) { - this.name = name; - } - public String getComp_id() { - return comp_id; - } - public void setComp_id(String comp_id) { - this.comp_id = comp_id; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxNonPolyScheme.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxNonPolyScheme.java deleted file mode 100644 index 25900b2451..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxNonPolyScheme.java +++ /dev/null @@ -1,107 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** A bean for the PDBX_NONPOLY_SCHEME category, which provides residue level nomenclature - * mapping for non-polymer entities. - * @author Andreas Prlic - * @since 1.7 - */ -public class PdbxNonPolyScheme { - String asym_id; - String entity_id; - String seq_id; - String mon_id; - String ndb_seq_num; - String pdb_seq_num ; - String auth_seq_num ; - String pdb_mon_id; - String auth_mon_id; - String pdb_strand_id; - String pdb_ins_code; - public String getAsym_id() { - return asym_id; - } - public void setAsym_id(String asym_id) { - this.asym_id = asym_id; - } - public String getEntity_id() { - return entity_id; - } - public void setEntity_id(String entity_id) { - this.entity_id = entity_id; - } - public String getSeq_id() { - return seq_id; - } - public void setSeq_id(String seq_id) { - this.seq_id = seq_id; - } - public String getMon_id() { - return mon_id; - } - public void setMon_id(String mon_id) { - this.mon_id = mon_id; - } - public String getNdb_seq_num() { - return ndb_seq_num; - } - public void setNdb_seq_num(String ndb_seq_num) { - this.ndb_seq_num = ndb_seq_num; - } - public String getPdb_seq_num() { - return pdb_seq_num; - } - public void setPdb_seq_num(String pdb_seq_num) { - this.pdb_seq_num = pdb_seq_num; - } - public String getAuth_seq_num() { - return auth_seq_num; - } - public void setAuth_seq_num(String auth_seq_num) { - this.auth_seq_num = auth_seq_num; - } - public String getPdb_mon_id() { - return pdb_mon_id; - } - public void setPdb_mon_id(String pdb_mon_id) { - this.pdb_mon_id = pdb_mon_id; - } - public String getAuth_mon_id() { - return auth_mon_id; - } - public void setAuth_mon_id(String auth_mon_id) { - this.auth_mon_id = auth_mon_id; - } - public String getPdb_strand_id() { - return pdb_strand_id; - } - public void setPdb_strand_id(String pdb_strand_id) { - this.pdb_strand_id = pdb_strand_id; - } - public String getPdb_ins_code() { - return pdb_ins_code; - } - public void setPdb_ins_code(String pdb_ins_code) { - this.pdb_ins_code = pdb_ins_code; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxPolySeqScheme.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxPolySeqScheme.java deleted file mode 100644 index 42f470e0c2..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxPolySeqScheme.java +++ /dev/null @@ -1,117 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Jun 5, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** A bean for the PDBX_POLY_SEQ_SCHEME category, which provides residue level nomenclature - * mapping for polymer entities. - * @author Andreas Prlic - * @since 1.7 - */ - -public class PdbxPolySeqScheme extends AbstractBean{ - String asym_id; - String entity_id; - String seq_id; - String mon_id; - String ndb_seq_num; - String pdb_seq_num ; - String auth_seq_num ; - String pdb_mon_id; - String auth_mon_id; - String pdb_strand_id; - String pdb_ins_code; - String hetero; - public String getAsym_id() { - return asym_id; - } - public void setAsym_id(String asym_id) { - this.asym_id = asym_id; - } - public String getEntity_id() { - return entity_id; - } - public void setEntity_id(String entity_id) { - this.entity_id = entity_id; - } - public String getSeq_id() { - return seq_id; - } - public void setSeq_id(String seq_id) { - this.seq_id = seq_id; - } - public String getMon_id() { - return mon_id; - } - public void setMon_id(String mon_id) { - this.mon_id = mon_id; - } - public String getNdb_seq_num() { - return ndb_seq_num; - } - public void setNdb_seq_num(String ndb_seq_num) { - this.ndb_seq_num = ndb_seq_num; - } - public String getPdb_seq_num() { - return pdb_seq_num; - } - public void setPdb_seq_num(String pdb_seq_num) { - this.pdb_seq_num = pdb_seq_num; - } - public String getAuth_seq_num() { - return auth_seq_num; - } - public void setAuth_seq_num(String auth_seq_num) { - this.auth_seq_num = auth_seq_num; - } - public String getPdb_mon_id() { - return pdb_mon_id; - } - public void setPdb_mon_id(String pdb_mon_id) { - this.pdb_mon_id = pdb_mon_id; - } - public String getAuth_mon_id() { - return auth_mon_id; - } - public void setAuth_mon_id(String auth_mon_id) { - this.auth_mon_id = auth_mon_id; - } - public String getPdb_strand_id() { - return pdb_strand_id; - } - public void setPdb_strand_id(String pdb_strand_id) { - this.pdb_strand_id = pdb_strand_id; - } - public String getPdb_ins_code() { - return pdb_ins_code; - } - public void setPdb_ins_code(String pdb_ins_code) { - this.pdb_ins_code = pdb_ins_code; - } - public String getHetero() { - return hetero; - } - public void setHetero(String hetero) { - this.hetero = hetero; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssembly.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssembly.java deleted file mode 100644 index 11b40c8a59..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssembly.java +++ /dev/null @@ -1,85 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - - -import javax.xml.bind.annotation.XmlAccessType; -import javax.xml.bind.annotation.XmlAccessorType; -import java.io.Serializable; - - - -@XmlAccessorType(XmlAccessType.PUBLIC_MEMBER) -public class PdbxStructAssembly implements Serializable{ - - /** - * - */ - private static final long serialVersionUID = 3104504686693887219L; - - String id; - String details; - String method_details; - String oligomeric_details; - String oligomeric_count ; - public String getId() { - return id; - } - public void setId(String id) { - this.id = id; - } - public String getDetails() { - return details; - } - public void setDetails(String details) { - this.details = details; - } - public String getMethod_details() { - return method_details; - } - public void setMethod_details(String method_details) { - this.method_details = method_details; - } - public String getOligomeric_details() { - return oligomeric_details; - } - public void setOligomeric_details(String oligomeric_details) { - this.oligomeric_details = oligomeric_details; - } - public String getOligomeric_count() { - return oligomeric_count; - } - public void setOligomeric_count(String oligomeric_count) { - this.oligomeric_count = oligomeric_count; - } - @Override - public String toString() { - return "PdbxStructAssembly [id=" + id + ", details=" + details - + ", method_details=" + method_details - + ", oligomeric_details=" + oligomeric_details - + ", oligomeric_count=" + oligomeric_count + "]"; - } - - - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssemblyGen.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssemblyGen.java deleted file mode 100644 index d672ee9f33..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssemblyGen.java +++ /dev/null @@ -1,67 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -import javax.xml.bind.annotation.XmlAccessType; -import javax.xml.bind.annotation.XmlAccessorType; -import java.io.Serializable; - -@XmlAccessorType(XmlAccessType.PUBLIC_MEMBER) -public class PdbxStructAssemblyGen implements Serializable{ - /** - * - */ - private static final long serialVersionUID = 6739568389242514332L; - String assembly_id; - String oper_expression; - String asym_id_list; - - - public String getAssembly_id() { - return assembly_id; - } - public void setAssembly_id(String assembly_id) { - this.assembly_id = assembly_id; - } - public String getOper_expression() { - return oper_expression; - } - public void setOper_expression(String oper_expression) { - this.oper_expression = oper_expression; - } - public String getAsym_id_list() { - return asym_id_list; - } - public void setAsym_id_list(String asym_id_list) { - this.asym_id_list = asym_id_list; - } - @Override - public String toString() { - return "PdbxStructAssemblyGen [assembly_id=" + assembly_id - + ", oper_expression=" + oper_expression + ", asym_id_list=" - + asym_id_list + "]"; - } - - - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssemblyGenXMLContainer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssemblyGenXMLContainer.java deleted file mode 100644 index aae7534df2..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssemblyGenXMLContainer.java +++ /dev/null @@ -1,101 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -import javax.xml.bind.JAXBContext; -import javax.xml.bind.Marshaller; -import javax.xml.bind.Unmarshaller; -import javax.xml.bind.annotation.XmlElementWrapper; -import javax.xml.bind.annotation.XmlRootElement; -import java.io.ByteArrayInputStream; -import java.io.ByteArrayOutputStream; -import java.io.PrintStream; -import java.util.List; - -@XmlRootElement(name="PdbxStructAssemblyGenXMLContainer") -public class PdbxStructAssemblyGenXMLContainer { - - private List data ; - - static JAXBContext jaxbContext; - static { - try { - jaxbContext= JAXBContext.newInstance(PdbxStructAssemblyGenXMLContainer.class); - } catch (Exception e){ - e.printStackTrace(); - } - } - - @XmlElementWrapper - public List getPdbxStructAssemblyGens(){ - return data; - - } - - public void setPdbxStructAssemblies(List d){ - data = d; - } - - public String toXML(){ - - System.out.println("converting to XML: " + data); - - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContext.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( this, ps); - - - } catch (Exception e){ - e.printStackTrace(); - } - - return baos.toString(); - - } - - public static PdbxStructAssemblyGenXMLContainer fromXML(String xml){ - - PdbxStructAssemblyGenXMLContainer job = null; - - try { - - Unmarshaller un = jaxbContext.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (PdbxStructAssemblyGenXMLContainer) un.unmarshal(bais); - - } catch (Exception e){ - e.printStackTrace(); - } - - return job; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssemblyXMLContainer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssemblyXMLContainer.java deleted file mode 100644 index d9cf2fb167..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructAssemblyXMLContainer.java +++ /dev/null @@ -1,99 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -import javax.xml.bind.JAXBContext; -import javax.xml.bind.Marshaller; -import javax.xml.bind.Unmarshaller; -import javax.xml.bind.annotation.XmlElementWrapper; -import javax.xml.bind.annotation.XmlRootElement; -import java.io.ByteArrayInputStream; -import java.io.ByteArrayOutputStream; -import java.io.PrintStream; -import java.util.List; - -@XmlRootElement(name="PdbxStructAssemblyXMLContainer") -public class PdbxStructAssemblyXMLContainer { - - private List data ; - - static JAXBContext jaxbContext; - static { - try { - jaxbContext= JAXBContext.newInstance(PdbxStructAssemblyXMLContainer.class); - } catch (Exception e){ - e.printStackTrace(); - } - } - - @XmlElementWrapper - public List getPdbxStructAssemblies(){ - return data; - - } - - public void setPdbxStructAssemblies(List d){ - data = d; - } - - public String toXML(){ - - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContext.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( this, ps); - - - } catch (Exception e){ - e.printStackTrace(); - } - - return baos.toString(); - - } - - public static PdbxStructAssemblyXMLContainer fromXML(String xml){ - - PdbxStructAssemblyXMLContainer job = null; - - try { - - Unmarshaller un = jaxbContext.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (PdbxStructAssemblyXMLContainer) un.unmarshal(bais); - - } catch (Exception e){ - e.printStackTrace(); - } - - return job; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructOperList.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructOperList.java deleted file mode 100644 index 4d2f35e614..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructOperList.java +++ /dev/null @@ -1,222 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -import javax.xml.bind.annotation.XmlAccessType; -import javax.xml.bind.annotation.XmlAccessorType; -import javax.xml.bind.annotation.XmlAttribute; -import javax.xml.bind.annotation.XmlElement; -import java.io.Serializable; - -/** - * The bean for pdbx_struct_oper_list category - * 
      - * _pdbx_struct_oper_list.id
- * _pdbx_struct_oper_list.type
- * _pdbx_struct_oper_list.symmetry_operation
- * _pdbx_struct_oper_list.matrix[1][1]
- * _pdbx_struct_oper_list.matrix[1][2]
- * _pdbx_struct_oper_list.matrix[1][3]
- * _pdbx_struct_oper_list.vector[1]
- * _pdbx_struct_oper_list.matrix[2][1]
- * _pdbx_struct_oper_list.matrix[2][2]
- * _pdbx_struct_oper_list.matrix[2][3]
- * _pdbx_struct_oper_list.vector[2]
- * _pdbx_struct_oper_list.matrix[3][1]
- * _pdbx_struct_oper_list.matrix[3][2]
- * _pdbx_struct_oper_list.matrix[3][3]
- * _pdbx_struct_oper_list.vector[3]
- * _pdbx_struct_oper_list.name
- *
      - */ -@XmlAccessorType(XmlAccessType.PROPERTY) -public class PdbxStructOperList implements Serializable{ - - - private static final long serialVersionUID = 8933552854747969787L; - - @Override - public String toString() { - return "PdbxStructOperList [id=" + id + ", type=" + type + "]"; - } - - - private String id; - - private String type; - - private String symmetry_operation; - - @CIFLabel(label="matrix[1][1]") - String matrix11; - @CIFLabel(label="matrix[1][2]") - String matrix12; - @CIFLabel(label="matrix[1][3]") - String matrix13; - - @CIFLabel(label="vector[1]") - String vector1; - - @CIFLabel(label="matrix[2][1]") - String matrix21; - @CIFLabel(label="matrix[2][2]") - String matrix22; - @CIFLabel(label="matrix[2][3]") - String matrix23; - - @CIFLabel(label="vector[2]") - String vector2; - - @CIFLabel(label="matrix[3][1]") - String matrix31; - @CIFLabel(label="matrix[3][2]") - String matrix32; - @CIFLabel(label="matrix[3][3]") - String matrix33; - - @CIFLabel(label="vector[3]") - String vector3; - - String name; - - - // from here fields that are not in the cif category - - - public PdbxStructOperList(){ - - } - - @XmlAttribute - public String getType() { - return type; - } - - public void setType(String type) { - this.type = type; - } - - @XmlAttribute - public String getId() { - return id; - } - - public void setId(String id) { - this.id = id; - } - - public void setMatrix11(String val){ - this.matrix11 = val; - } - public void setMatrix21(String val){ - this.matrix21 = val; - } - public void setMatrix31(String val){ - this.matrix31 = val; - } - - public void setMatrix12(String val){ - this.matrix12 = val; - } - public void setMatrix22(String val){ - this.matrix22 = val; - } - public void setMatrix32(String val){ - this.matrix32 = val; - } - public void setMatrix13(String val){ - this.matrix13 = val; - } - public void setMatrix23(String val){ - this.matrix23 = val; - } - public void setMatrix33(String val){ - this.matrix33 =val; - } - - public void setName(String name) { - this.name = name; - } - - public String getVector1() { - return vector1; - } - public void setVector1(String vector1) { - this.vector1 = vector1; - } - public String getVector2() { - return vector2; - } - public void setVector2(String vector2) { - this.vector2 = vector2; - } - public String getVector3() { - return vector3; - } - public void setVector3(String vector3) { - this.vector3 = vector3; - } - public String getName() { - return name; - } - public String getSymmetry_operation() { - return symmetry_operation; - } - public void setSymmetry_operation(String symmetry_operation) { - this.symmetry_operation = symmetry_operation; - } - @XmlElement - public String getMatrix11(){ - return matrix11; - } - @XmlElement - public String getMatrix21(){ - return matrix21; - } - @XmlElement - public String getMatrix31(){ - return matrix31; - } - @XmlElement - public String getMatrix12(){ - return matrix12; - } - @XmlElement - public String getMatrix22(){ - return matrix22; - } - @XmlElement - public String getMatrix32(){ - return matrix32; - } - @XmlElement - public String getMatrix13(){ - return matrix13; - } - @XmlElement - public String getMatrix23(){ - return matrix23; - } - @XmlElement - public String getMatrix33(){ - return matrix33; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructOperListXMLContainer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructOperListXMLContainer.java deleted file mode 100644 index a1e94e4d03..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/PdbxStructOperListXMLContainer.java +++ /dev/null @@ -1,101 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -import javax.xml.bind.JAXBContext; -import javax.xml.bind.Marshaller; -import javax.xml.bind.Unmarshaller; -import javax.xml.bind.annotation.XmlElementWrapper; -import javax.xml.bind.annotation.XmlRootElement; -import java.io.ByteArrayInputStream; -import java.io.ByteArrayOutputStream; -import java.io.PrintStream; -import java.util.List; - -@XmlRootElement(name="PdbxStructOperListXMLContainer") -public class PdbxStructOperListXMLContainer { - - - - private List data ; - - static JAXBContext jaxbContext; - static { - try { - jaxbContext= JAXBContext.newInstance(PdbxStructOperList.class); - } catch (Exception e){ - e.printStackTrace(); - } - } - - @XmlElementWrapper - public List getPdbxStructOperLists(){ - return data; - - } - - public void setPdbxStructOperLists(List d){ - data = d; - } - - public String toXML(){ - - ByteArrayOutputStream baos = new ByteArrayOutputStream(); - - PrintStream ps = new PrintStream(baos); - - try { - - Marshaller m = jaxbContext.createMarshaller(); - - m.setProperty(Marshaller.JAXB_FORMATTED_OUTPUT, Boolean.TRUE); - - m.marshal( this, ps); - - - } catch (Exception e){ - e.printStackTrace(); - } - - return baos.toString(); - - } - - public static PdbxStructOperListXMLContainer fromXML(String xml){ - - PdbxStructOperListXMLContainer job = null; - - try { - - Unmarshaller un = jaxbContext.createUnmarshaller(); - - ByteArrayInputStream bais = new ByteArrayInputStream(xml.getBytes()); - - job = (PdbxStructOperListXMLContainer) un.unmarshal(bais); - - } catch (Exception e){ - e.printStackTrace(); - } - - return job; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Refine.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Refine.java deleted file mode 100644 index dceb35b5ac..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Refine.java +++ /dev/null @@ -1,658 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -public class Refine { - String entry_id; - String ls_number_reflns_obs; - String ls_number_reflns_all; - String pdbx_ls_sigma_I; - String pdbx_ls_sigma_F; - String pdbx_data_cutoff_high_absF; - String pdbx_data_cutoff_low_absF ; - String pdbx_data_cutoff_high_rms_absF; - String ls_d_res_low ; - String ls_d_res_high ; - String ls_percent_reflns_obs; - String ls_R_factor_obs ; - String ls_R_factor_all ; - String ls_R_factor_R_work; - String ls_R_factor_R_free ; - String ls_R_factor_R_free_error; - String ls_R_factor_R_free_error_details; - String ls_percent_reflns_R_free; - String ls_number_reflns_R_free; - String ls_number_parameters; - String ls_number_restraints; - String occupancy_min; - String occupancy_max; - String B_iso_mean; - @CIFLabel(label="aniso_B[1][1]") - String aniso_B11; - @CIFLabel(label="aniso_B[2][2]") - String aniso_B22; - @CIFLabel(label="aniso_B[3][3]") - String aniso_B33; - @CIFLabel(label="aniso_B[1][2]") - String aniso_B12; - @CIFLabel(label="aniso_B[1][3]") - String aniso_B13; - @CIFLabel(label="aniso_B[2][3]") - String aniso_B23; - String solvent_model_details ; - String solvent_model_param_ksol; - String solvent_model_param_bsol; - String pdbx_ls_cross_valid_method; - String details; - String pdbx_starting_model; - String pdbx_method_to_determine_struct; - String pdbx_isotropic_thermal_model; - String pdbx_stereochemistry_target_values; - String pdbx_stereochem_target_val_spec_case; - String pdbx_R_Free_selection_details; - String pdbx_overall_ESU_R; - String pdbx_overall_ESU_R_Free; - String overall_SU_ML; - String overall_SU_B; - String ls_redundancy_reflns_obs; - String pdbx_overall_phase_error ; - String B_iso_min; - String B_iso_max; - String correlation_coeff_Fo_to_Fc; - String correlation_coeff_Fo_to_Fc_free; - String pdbx_solvent_vdw_probe_radii; - String pdbx_solvent_ion_probe_radii; - String pdbx_solvent_shrinkage_radii; - String overall_SU_R_Cruickshank_DPI; - String overall_SU_R_free; - String ls_wR_factor_R_free; - String ls_wR_factor_R_work; - String overall_FOM_free_R_set; - String overall_FOM_work_R_set; - String pdbx_refine_id; - String pdbx_diffrn_id; - String pdbx_TLS_residual_ADP_flag; - String pdbx_overall_SU_R_free_Cruickshank_DPI; - String pdbx_overall_SU_R_Blow_DPI; - String pdbx_overall_SU_R_free_Blow_DPI; - // these 2 fields are present only in some files (e.g. 4lnc, a hybrid X-RAY/NEUTRON DIFFRACTION) - String ls_matrix_type; - String ls_number_reflns_R_work; - - public Refine(){ - //aniso_B = new String[3][3]; - } - - public String getEntry_id() { - return entry_id; - } - - public void setEntry_id(String entry_id) { - this.entry_id = entry_id; - } - - public String getLs_number_reflns_obs() { - return ls_number_reflns_obs; - } - - public void setLs_number_reflns_obs(String ls_number_reflns_obs) { - this.ls_number_reflns_obs = ls_number_reflns_obs; - } - - public String getLs_number_reflns_all() { - return ls_number_reflns_all; - } - - public void setLs_number_reflns_all(String ls_number_reflns_all) { - this.ls_number_reflns_all = ls_number_reflns_all; - } - - public String getPdbx_ls_sigma_I() { - return pdbx_ls_sigma_I; - } - - public void setPdbx_ls_sigma_I(String pdbx_ls_sigma_I) { - this.pdbx_ls_sigma_I = pdbx_ls_sigma_I; - } - - public String getPdbx_ls_sigma_F() { - return pdbx_ls_sigma_F; - } - - public void setPdbx_ls_sigma_F(String pdbx_ls_sigma_F) { - this.pdbx_ls_sigma_F = pdbx_ls_sigma_F; - } - - public String getPdbx_data_cutoff_high_absF() { - return pdbx_data_cutoff_high_absF; - } - - public void setPdbx_data_cutoff_high_absF(String pdbx_data_cutoff_high_absF) { - this.pdbx_data_cutoff_high_absF = pdbx_data_cutoff_high_absF; - } - - public String getPdbx_data_cutoff_low_absF() { - return pdbx_data_cutoff_low_absF; - } - - public void setPdbx_data_cutoff_low_absF(String pdbx_data_cutoff_low_absF) { - this.pdbx_data_cutoff_low_absF = pdbx_data_cutoff_low_absF; - } - - public String getPdbx_data_cutoff_high_rms_absF() { - return pdbx_data_cutoff_high_rms_absF; - } - - public void setPdbx_data_cutoff_high_rms_absF( - String pdbx_data_cutoff_high_rms_absF) { - this.pdbx_data_cutoff_high_rms_absF = pdbx_data_cutoff_high_rms_absF; - } - - public String getLs_d_res_low() { - return ls_d_res_low; - } - - public void setLs_d_res_low(String ls_d_res_low) { - this.ls_d_res_low = ls_d_res_low; - } - - public String getLs_d_res_high() { - return ls_d_res_high; - } - - public void setLs_d_res_high(String ls_d_res_high) { - this.ls_d_res_high = ls_d_res_high; - } - - public String getLs_percent_reflns_obs() { - return ls_percent_reflns_obs; - } - - public void setLs_percent_reflns_obs(String ls_percent_reflns_obs) { - this.ls_percent_reflns_obs = ls_percent_reflns_obs; - } - - public String getLs_R_factor_obs() { - return ls_R_factor_obs; - } - - public void setLs_R_factor_obs(String ls_R_factor_obs) { - this.ls_R_factor_obs = ls_R_factor_obs; - } - - public String getLs_R_factor_all() { - return ls_R_factor_all; - } - - public void setLs_R_factor_all(String ls_R_factor_all) { - this.ls_R_factor_all = ls_R_factor_all; - } - - public String getLs_R_factor_R_work() { - return ls_R_factor_R_work; - } - - public void setLs_R_factor_R_work(String ls_R_factor_R_work) { - this.ls_R_factor_R_work = ls_R_factor_R_work; - } - - public String getLs_R_factor_R_free() { - return ls_R_factor_R_free; - } - - public void setLs_R_factor_R_free(String ls_R_factor_R_free) { - this.ls_R_factor_R_free = ls_R_factor_R_free; - } - - public String getLs_R_factor_R_free_error() { - return ls_R_factor_R_free_error; - } - - public void setLs_R_factor_R_free_error(String ls_R_factor_R_free_error) { - this.ls_R_factor_R_free_error = ls_R_factor_R_free_error; - } - - public String getLs_R_factor_R_free_error_details() { - return ls_R_factor_R_free_error_details; - } - - public void setLs_R_factor_R_free_error_details( - String ls_R_factor_R_free_error_details) { - this.ls_R_factor_R_free_error_details = ls_R_factor_R_free_error_details; - } - - public String getLs_percent_reflns_R_free() { - return ls_percent_reflns_R_free; - } - - public void setLs_percent_reflns_R_free(String ls_percent_reflns_R_free) { - this.ls_percent_reflns_R_free = ls_percent_reflns_R_free; - } - - public String getLs_number_reflns_R_free() { - return ls_number_reflns_R_free; - } - - public void setLs_number_reflns_R_free(String ls_number_reflns_R_free) { - this.ls_number_reflns_R_free = ls_number_reflns_R_free; - } - - public String getLs_number_parameters() { - return ls_number_parameters; - } - - public void setLs_number_parameters(String ls_number_parameters) { - this.ls_number_parameters = ls_number_parameters; - } - - public String getLs_number_restraints() { - return ls_number_restraints; - } - - public void setLs_number_restraints(String ls_number_restraints) { - this.ls_number_restraints = ls_number_restraints; - } - - public String getOccupancy_min() { - return occupancy_min; - } - - public void setOccupancy_min(String occupancy_min) { - this.occupancy_min = occupancy_min; - } - - public String getOccupancy_max() { - return occupancy_max; - } - - public void setOccupancy_max(String occupancy_max) { - this.occupancy_max = occupancy_max; - } - - public String getB_iso_mean() { - return B_iso_mean; - } - - public void setB_iso_mean(String b_iso_mean) { - B_iso_mean = b_iso_mean; - } - - public String getSolvent_model_details() { - return solvent_model_details; - } - - public void setSolvent_model_details(String solvent_model_details) { - this.solvent_model_details = solvent_model_details; - } - - public String getSolvent_model_param_ksol() { - return solvent_model_param_ksol; - } - - public void setSolvent_model_param_ksol(String solvent_model_param_ksol) { - this.solvent_model_param_ksol = solvent_model_param_ksol; - } - - public String getSolvent_model_param_bsol() { - return solvent_model_param_bsol; - } - - public void setSolvent_model_param_bsol(String solvent_model_param_bsol) { - this.solvent_model_param_bsol = solvent_model_param_bsol; - } - - public String getPdbx_ls_cross_valid_method() { - return pdbx_ls_cross_valid_method; - } - - public void setPdbx_ls_cross_valid_method(String pdbx_ls_cross_valid_method) { - this.pdbx_ls_cross_valid_method = pdbx_ls_cross_valid_method; - } - - public String getDetails() { - return details; - } - - public void setDetails(String details) { - this.details = details; - } - - public String getPdbx_starting_model() { - return pdbx_starting_model; - } - - public void setPdbx_starting_model(String pdbx_starting_model) { - this.pdbx_starting_model = pdbx_starting_model; - } - - public String getPdbx_method_to_determine_struct() { - return pdbx_method_to_determine_struct; - } - - public void setPdbx_method_to_determine_struct( - String pdbx_method_to_determine_struct) { - this.pdbx_method_to_determine_struct = pdbx_method_to_determine_struct; - } - - public String getPdbx_isotropic_thermal_model() { - return pdbx_isotropic_thermal_model; - } - - public void setPdbx_isotropic_thermal_model(String pdbx_isotropic_thermal_model) { - this.pdbx_isotropic_thermal_model = pdbx_isotropic_thermal_model; - } - - public String getPdbx_stereochemistry_target_values() { - return pdbx_stereochemistry_target_values; - } - - public void setPdbx_stereochemistry_target_values( - String pdbx_stereochemistry_target_values) { - this.pdbx_stereochemistry_target_values = pdbx_stereochemistry_target_values; - } - - public String getPdbx_stereochem_target_val_spec_case() { - return pdbx_stereochem_target_val_spec_case; - } - - public void setPdbx_stereochem_target_val_spec_case( - String pdbx_stereochem_target_val_spec_case) { - this.pdbx_stereochem_target_val_spec_case = pdbx_stereochem_target_val_spec_case; - } - - public String getPdbx_R_Free_selection_details() { - return pdbx_R_Free_selection_details; - } - - public void setPdbx_R_Free_selection_details( - String pdbx_R_Free_selection_details) { - this.pdbx_R_Free_selection_details = pdbx_R_Free_selection_details; - } - - public String getPdbx_overall_ESU_R() { - return pdbx_overall_ESU_R; - } - - public void setPdbx_overall_ESU_R(String pdbx_overall_ESU_R) { - this.pdbx_overall_ESU_R = pdbx_overall_ESU_R; - } - - public String getPdbx_overall_ESU_R_Free() { - return pdbx_overall_ESU_R_Free; - } - - public void setPdbx_overall_ESU_R_Free(String pdbx_overall_ESU_R_Free) { - this.pdbx_overall_ESU_R_Free = pdbx_overall_ESU_R_Free; - } - - public String getOverall_SU_ML() { - return overall_SU_ML; - } - - public void setOverall_SU_ML(String overall_SU_ML) { - this.overall_SU_ML = overall_SU_ML; - } - - public String getOverall_SU_B() { - return overall_SU_B; - } - - public void setOverall_SU_B(String overall_SU_B) { - this.overall_SU_B = overall_SU_B; - } - - public String getPdbx_refine_id() { - return pdbx_refine_id; - } - - public void setPdbx_refine_id(String pdbx_refine_id) { - this.pdbx_refine_id = pdbx_refine_id; - } - - public String getLs_redundancy_reflns_obs() { - return ls_redundancy_reflns_obs; - } - - public void setLs_redundancy_reflns_obs(String ls_redundancy_reflns_obs) { - this.ls_redundancy_reflns_obs = ls_redundancy_reflns_obs; - } - - public String getPdbx_overall_phase_error() { - return pdbx_overall_phase_error; - } - - public void setPdbx_overall_phase_error(String pdbx_overall_phase_error) { - this.pdbx_overall_phase_error = pdbx_overall_phase_error; - } - - public String getB_iso_min() { - return B_iso_min; - } - - public void setB_iso_min(String b_iso_min) { - B_iso_min = b_iso_min; - } - - public String getB_iso_max() { - return B_iso_max; - } - - public void setB_iso_max(String b_iso_max) { - B_iso_max = b_iso_max; - } - - public String getCorrelation_coeff_Fo_to_Fc() { - return correlation_coeff_Fo_to_Fc; - } - - public void setCorrelation_coeff_Fo_to_Fc(String correlation_coeff_Fo_to_Fc) { - this.correlation_coeff_Fo_to_Fc = correlation_coeff_Fo_to_Fc; - } - - public String getCorrelation_coeff_Fo_to_Fc_free() { - return correlation_coeff_Fo_to_Fc_free; - } - - public void setCorrelation_coeff_Fo_to_Fc_free( - String correlation_coeff_Fo_to_Fc_free) { - this.correlation_coeff_Fo_to_Fc_free = correlation_coeff_Fo_to_Fc_free; - } - - public String getPdbx_solvent_vdw_probe_radii() { - return pdbx_solvent_vdw_probe_radii; - } - - public void setPdbx_solvent_vdw_probe_radii(String pdbx_solvent_vdw_probe_radii) { - this.pdbx_solvent_vdw_probe_radii = pdbx_solvent_vdw_probe_radii; - } - - public String getPdbx_solvent_ion_probe_radii() { - return pdbx_solvent_ion_probe_radii; - } - - public void setPdbx_solvent_ion_probe_radii(String pdbx_solvent_ion_probe_radii) { - this.pdbx_solvent_ion_probe_radii = pdbx_solvent_ion_probe_radii; - } - - public String getPdbx_solvent_shrinkage_radii() { - return pdbx_solvent_shrinkage_radii; - } - - public void setPdbx_solvent_shrinkage_radii(String pdbx_solvent_shrinkage_radii) { - this.pdbx_solvent_shrinkage_radii = pdbx_solvent_shrinkage_radii; - } - - public String getOverall_SU_R_Cruickshank_DPI() { - return overall_SU_R_Cruickshank_DPI; - } - - public void setOverall_SU_R_Cruickshank_DPI(String overall_SU_R_Cruickshank_DPI) { - this.overall_SU_R_Cruickshank_DPI = overall_SU_R_Cruickshank_DPI; - } - - public String getOverall_SU_R_free() { - return overall_SU_R_free; - } - - public void setOverall_SU_R_free(String overall_SU_R_free) { - this.overall_SU_R_free = overall_SU_R_free; - } - - public String getLs_wR_factor_R_free() { - return ls_wR_factor_R_free; - } - - public void setLs_wR_factor_R_free(String ls_wR_factor_R_free) { - this.ls_wR_factor_R_free = ls_wR_factor_R_free; - } - - public String getLs_wR_factor_R_work() { - return ls_wR_factor_R_work; - } - - public void setLs_wR_factor_R_work(String ls_wR_factor_R_work) { - this.ls_wR_factor_R_work = ls_wR_factor_R_work; - } - - public String getOverall_FOM_free_R_set() { - return overall_FOM_free_R_set; - } - - public void setOverall_FOM_free_R_set(String overall_FOM_free_R_set) { - this.overall_FOM_free_R_set = overall_FOM_free_R_set; - } - - public String getOverall_FOM_work_R_set() { - return overall_FOM_work_R_set; - } - - public void setOverall_FOM_work_R_set(String overall_FOM_work_R_set) { - this.overall_FOM_work_R_set = overall_FOM_work_R_set; - } - - public String getPdbx_diffrn_id() { - return pdbx_diffrn_id; - } - - public void setPdbx_diffrn_id(String pdbx_diffrn_id) { - this.pdbx_diffrn_id = pdbx_diffrn_id; - } - - public String getPdbx_TLS_residual_ADP_flag() { - return pdbx_TLS_residual_ADP_flag; - } - - public void setPdbx_TLS_residual_ADP_flag(String pdbx_TLS_residual_ADP_flag) { - this.pdbx_TLS_residual_ADP_flag = pdbx_TLS_residual_ADP_flag; - } - - public String getPdbx_overall_SU_R_free_Cruickshank_DPI() { - return pdbx_overall_SU_R_free_Cruickshank_DPI; - } - - public void setPdbx_overall_SU_R_free_Cruickshank_DPI( - String pdbx_overall_SU_R_free_Cruickshank_DPI) { - this.pdbx_overall_SU_R_free_Cruickshank_DPI = pdbx_overall_SU_R_free_Cruickshank_DPI; - } - - public String getPdbx_overall_SU_R_Blow_DPI() { - return pdbx_overall_SU_R_Blow_DPI; - } - - public void setPdbx_overall_SU_R_Blow_DPI(String pdbx_overall_SU_R_Blow_DPI) { - this.pdbx_overall_SU_R_Blow_DPI = pdbx_overall_SU_R_Blow_DPI; - } - - public String getPdbx_overall_SU_R_free_Blow_DPI() { - return pdbx_overall_SU_R_free_Blow_DPI; - } - - public void setPdbx_overall_SU_R_free_Blow_DPI( - String pdbx_overall_SU_R_free_Blow_DPI) { - this.pdbx_overall_SU_R_free_Blow_DPI = pdbx_overall_SU_R_free_Blow_DPI; - } - - public String getLs_matrix_type() { - return ls_matrix_type; - } - - public void setLs_matrix_type(String ls_matrix_type) { - this.ls_matrix_type = ls_matrix_type; - } - - public String getLs_number_reflns_R_work() { - return ls_number_reflns_R_work; - } - - public void setLs_number_reflns_R_work(String ls_number_reflns_R_work) { - this.ls_number_reflns_R_work = ls_number_reflns_R_work; - } - - public String getAniso_B11() { - return aniso_B11; - } - - public void setAniso_B11(String aniso_B11) { - this.aniso_B11 = aniso_B11; - } - - public String getAniso_B22() { - return aniso_B22; - } - - public void setAniso_B22(String aniso_B22) { - this.aniso_B22 = aniso_B22; - } - - public String getAniso_B33() { - return aniso_B33; - } - - public void setAniso_B33(String aniso_B33) { - this.aniso_B33 = aniso_B33; - } - - public String getAniso_B12() { - return aniso_B12; - } - - public void setAniso_B12(String aniso_B12) { - this.aniso_B12 = aniso_B12; - } - - public String getAniso_B13() { - return aniso_B13; - } - - public void setAniso_B13(String aniso_B13) { - this.aniso_B13 = aniso_B13; - } - - public String getAniso_B23() { - return aniso_B23; - } - - public void setAniso_B23(String aniso_B23) { - this.aniso_B23 = aniso_B23; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Struct.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Struct.java deleted file mode 100644 index 09a711febe..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Struct.java +++ /dev/null @@ -1,86 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Apr 26, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** a bean to contain the data of the _struct lines - * - * @author Andreas Prlic - * - */ -public class Struct { - String entry_id; - String title; - String pdbx_descriptor; - String pdbx_model_details; - String pdbx_model_type_details; - String pdbx_CASP_flag; - - @Override - public String toString(){ - return "entry_id:" +entry_id + " title:" + title + " pdbx_descriptor:" +pdbx_descriptor + " pdbx_model_details:"+pdbx_model_details; - } - - public String getEntry_id() { - return entry_id; - } - public void setEntry_id(String entry_id) { - this.entry_id = entry_id; - } - public String getTitle() { - return title; - } - public void setTitle(String title) { - this.title = title; - } - public String getPdbx_descriptor() { - return pdbx_descriptor; - } - public void setPdbx_descriptor(String pdbx_descriptor) { - this.pdbx_descriptor = pdbx_descriptor; - } - public String getPdbx_model_details() { - return pdbx_model_details; - } - public void setPdbx_model_details(String pdbx_model_details) { - this.pdbx_model_details = pdbx_model_details; - } - - public String getPdbx_model_type_details() { - return pdbx_model_type_details; - } - - public void setPdbx_model_type_details(String pdbx_model_type_details) { - this.pdbx_model_type_details = pdbx_model_type_details; - } - - public String getPdbx_CASP_flag() { - return pdbx_CASP_flag; - } - - public void setPdbx_CASP_flag(String pdbx_CASP_flag) { - this.pdbx_CASP_flag = pdbx_CASP_flag; - } - - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructAsym.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructAsym.java deleted file mode 100644 index f4c182b767..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructAsym.java +++ /dev/null @@ -1,68 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Jun 1, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** Contains the data for _struct_asym - * - * @author Andreas Prlic - * @since 1.7 - * - */ -public class StructAsym extends AbstractBean{ - String id; - String pdbx_blank_PDB_chainid_flag; - String pdbx_modified; - String entity_id; - String details; - public String getId() { - return id; - } - public void setId(String id) { - this.id = id; - } - public String getPdbx_blank_PDB_chainid_flag() { - return pdbx_blank_PDB_chainid_flag; - } - public void setPdbx_blank_PDB_chainid_flag(String pdbx_blank_PDB_chainid_flag) { - this.pdbx_blank_PDB_chainid_flag = pdbx_blank_PDB_chainid_flag; - } - public String getPdbx_modified() { - return pdbx_modified; - } - public void setPdbx_modified(String pdbx_modified) { - this.pdbx_modified = pdbx_modified; - } - public String getEntity_id() { - return entity_id; - } - public void setEntity_id(String entity_id) { - this.entity_id = entity_id; - } - public String getDetails() { - return details; - } - public void setDetails(String details) { - this.details = details; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructConn.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructConn.java deleted file mode 100644 index dbcb865dbd..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructConn.java +++ /dev/null @@ -1,466 +0,0 @@ -/* - * PDB web development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * - * Created on Mar 05, 2014 - * Created by Peter Rose - * - */ - -package org.biojava.nbio.structure.io.mmcif.model; -/** - * A bean that stores data from the mmcif category _struct_conn - * @author Peter Rose - * - */ -public class StructConn extends AbstractBean -{ - private String id; - private String conn_type_id; - private String pdbx_PDB_id; - private String ptnr1_label_asym_id; - private String ptnr1_label_comp_id; - private String ptnr1_label_seq_id; - private String ptnr1_label_atom_id; - private String pdbx_ptnr1_label_alt_id; - private String pdbx_ptnr1_PDB_ins_code; - private String pdbx_ptnr1_standard_comp_id; - private String ptnr1_symmetry; - private String ptnr2_label_asym_id; - private String ptnr2_label_comp_id; - private String ptnr2_label_seq_id; - private String ptnr2_label_atom_id; - private String pdbx_ptnr2_label_alt_id; - private String pdbx_ptnr2_PDB_ins_code; - private String ptnr1_auth_asym_id; - private String ptnr1_auth_comp_id; - private String ptnr1_auth_seq_id; - private String ptnr2_auth_asym_id; - private String ptnr2_auth_comp_id; - private String ptnr2_auth_seq_id; - private String ptnr2_symmetry; - private String pdbx_ptnr3_label_atom_id; - private String pdbx_ptnr3_label_seq_id; - private String pdbx_ptnr3_label_comp_id; - private String pdbx_ptnr3_label_asym_id; - private String pdbx_ptnr3_label_alt_id; - private String pdbx_ptnr3_PDB_ins_code; - private String details; - private String pdbx_dist_value; - private String pdbx_value_order; - private String pdbx_leaving_atom_flag; - /** - * @return the id - */ - public String getId() { - return id; - } - /** - * @param id the id to set - */ - public void setId(String id) { - this.id = id; - } - /** - * @return the conn_type_id - */ - public String getConn_type_id() { - return conn_type_id; - } - /** - * @param conn_type_id the conn_type_id to set - */ - public void setConn_type_id(String conn_type_id) { - this.conn_type_id = conn_type_id; - } - /** - * @return the pdbx_PDB_id - */ - public String getPdbx_PDB_id() { - return pdbx_PDB_id; - } - /** - * @param pdbx_PDB_id the pdbx_PDB_id to set - */ - public void setPdbx_PDB_id(String pdbx_PDB_id) { - this.pdbx_PDB_id = pdbx_PDB_id; - } - /** - * @return the ptnr1_label_asym_id - */ - public String getPtnr1_label_asym_id() { - return ptnr1_label_asym_id; - } - /** - * @param ptnr1_label_asym_id the ptnr1_label_asym_id to set - */ - public void setPtnr1_label_asym_id(String ptnr1_label_asym_id) { - this.ptnr1_label_asym_id = ptnr1_label_asym_id; - } - /** - * @return the ptnr1_label_comp_id - */ - public String getPtnr1_label_comp_id() { - return ptnr1_label_comp_id; - } - /** - * @param ptnr1_label_comp_id the ptnr1_label_comp_id to set - */ - public void setPtnr1_label_comp_id(String ptnr1_label_comp_id) { - this.ptnr1_label_comp_id = ptnr1_label_comp_id; - } - /** - * @return the ptnr1_label_seq_id - */ - public String getPtnr1_label_seq_id() { - return ptnr1_label_seq_id; - } - /** - * @param ptnr1_label_seq_id the ptnr1_label_seq_id to set - */ - public void setPtnr1_label_seq_id(String ptnr1_label_seq_id) { - this.ptnr1_label_seq_id = ptnr1_label_seq_id; - } - /** - * @return the ptnr1_label_atom_id - */ - public String getPtnr1_label_atom_id() { - return ptnr1_label_atom_id; - } - /** - * @param ptnr1_label_atom_id the ptnr1_label_atom_id to set - */ - public void setPtnr1_label_atom_id(String ptnr1_label_atom_id) { - this.ptnr1_label_atom_id = ptnr1_label_atom_id; - } - /** - * @return the pdbx_ptnr1_label_alt_id - */ - public String getPdbx_ptnr1_label_alt_id() { - return pdbx_ptnr1_label_alt_id; - } - /** - * @param pdbx_ptnr1_label_alt_id the pdbx_ptnr1_label_alt_id to set - */ - public void setPdbx_ptnr1_label_alt_id(String pdbx_ptnr1_label_alt_id) { - this.pdbx_ptnr1_label_alt_id = pdbx_ptnr1_label_alt_id; - } - /** - * @return the pdbx_ptnr1_PDB_ins_code - */ - public String getPdbx_ptnr1_PDB_ins_code() { - return pdbx_ptnr1_PDB_ins_code; - } - /** - * @param pdbx_ptnr1_PDB_ins_code the pdbx_ptnr1_PDB_ins_code to set - */ - public void setPdbx_ptnr1_PDB_ins_code(String pdbx_ptnr1_PDB_ins_code) { - this.pdbx_ptnr1_PDB_ins_code = pdbx_ptnr1_PDB_ins_code; - } - /** - * @return the pdbx_ptnr1_standard_comp_id - */ - public String getPdbx_ptnr1_standard_comp_id() { - return pdbx_ptnr1_standard_comp_id; - } - /** - * @param pdbx_ptnr1_standard_comp_id the pdbx_ptnr1_standard_comp_id to set - */ - public void setPdbx_ptnr1_standard_comp_id(String pdbx_ptnr1_standard_comp_id) { - this.pdbx_ptnr1_standard_comp_id = pdbx_ptnr1_standard_comp_id; - } - /** - * @return the ptnr1_symmetry - */ - public String getPtnr1_symmetry() { - return ptnr1_symmetry; - } - /** - * @param ptnr1_symmetry the ptnr1_symmetry to set - */ - public void setPtnr1_symmetry(String ptnr1_symmetry) { - this.ptnr1_symmetry = ptnr1_symmetry; - } - /** - * @return the ptnr2_label_asym_id - */ - public String getPtnr2_label_asym_id() { - return ptnr2_label_asym_id; - } - /** - * @param ptnr2_label_asym_id the ptnr2_label_asym_id to set - */ - public void setPtnr2_label_asym_id(String ptnr2_label_asym_id) { - this.ptnr2_label_asym_id = ptnr2_label_asym_id; - } - /** - * @return the ptnr2_label_comp_id - */ - public String getPtnr2_label_comp_id() { - return ptnr2_label_comp_id; - } - /** - * @param ptnr2_label_comp_id the ptnr2_label_comp_id to set - */ - public void setPtnr2_label_comp_id(String ptnr2_label_comp_id) { - this.ptnr2_label_comp_id = ptnr2_label_comp_id; - } - /** - * @return the ptnr2_label_seq_id - */ - public String getPtnr2_label_seq_id() { - return ptnr2_label_seq_id; - } - /** - * @param ptnr2_label_seq_id the ptnr2_label_seq_id to set - */ - public void setPtnr2_label_seq_id(String ptnr2_label_seq_id) { - this.ptnr2_label_seq_id = ptnr2_label_seq_id; - } - /** - * @return the ptnr2_label_atom_id - */ - public String getPtnr2_label_atom_id() { - return ptnr2_label_atom_id; - } - /** - * @param ptnr2_label_atom_id the ptnr2_label_atom_id to set - */ - public void setPtnr2_label_atom_id(String ptnr2_label_atom_id) { - this.ptnr2_label_atom_id = ptnr2_label_atom_id; - } - /** - * @return the pdbx_ptnr2_label_alt_id - */ - public String getPdbx_ptnr2_label_alt_id() { - return pdbx_ptnr2_label_alt_id; - } - /** - * @param pdbx_ptnr2_label_alt_id the pdbx_ptnr2_label_alt_id to set - */ - public void setPdbx_ptnr2_label_alt_id(String pdbx_ptnr2_label_alt_id) { - this.pdbx_ptnr2_label_alt_id = pdbx_ptnr2_label_alt_id; - } - /** - * @return the pdbx_ptnr2_PDB_ins_code - */ - public String getPdbx_ptnr2_PDB_ins_code() { - return pdbx_ptnr2_PDB_ins_code; - } - /** - * @param pdbx_ptnr2_PDB_ins_code the pdbx_ptnr2_PDB_ins_code to set - */ - public void setPdbx_ptnr2_PDB_ins_code(String pdbx_ptnr2_PDB_ins_code) { - this.pdbx_ptnr2_PDB_ins_code = pdbx_ptnr2_PDB_ins_code; - } - /** - * @return the ptnr1_auth_asym_id - */ - public String getPtnr1_auth_asym_id() { - return ptnr1_auth_asym_id; - } - /** - * @param ptnr1_auth_asym_id the ptnr1_auth_asym_id to set - */ - public void setPtnr1_auth_asym_id(String ptnr1_auth_asym_id) { - this.ptnr1_auth_asym_id = ptnr1_auth_asym_id; - } - /** - * @return the ptnr1_auth_comp_id - */ - public String getPtnr1_auth_comp_id() { - return ptnr1_auth_comp_id; - } - /** - * @param ptnr1_auth_comp_id the ptnr1_auth_comp_id to set - */ - public void setPtnr1_auth_comp_id(String ptnr1_auth_comp_id) { - this.ptnr1_auth_comp_id = ptnr1_auth_comp_id; - } - /** - * @return the ptnr1_auth_seq_id - */ - public String getPtnr1_auth_seq_id() { - return ptnr1_auth_seq_id; - } - /** - * @param ptnr1_auth_seq_id the ptnr1_auth_seq_id to set - */ - public void setPtnr1_auth_seq_id(String ptnr1_auth_seq_id) { - this.ptnr1_auth_seq_id = ptnr1_auth_seq_id; - } - /** - * @return the ptnr2_auth_asym_id - */ - public String getPtnr2_auth_asym_id() { - return ptnr2_auth_asym_id; - } - /** - * @param ptnr2_auth_asym_id the ptnr2_auth_asym_id to set - */ - public void setPtnr2_auth_asym_id(String ptnr2_auth_asym_id) { - this.ptnr2_auth_asym_id = ptnr2_auth_asym_id; - } - /** - * @return the ptnr2_auth_comp_id - */ - public String getPtnr2_auth_comp_id() { - return ptnr2_auth_comp_id; - } - /** - * @param ptnr2_auth_comp_id the ptnr2_auth_comp_id to set - */ - public void setPtnr2_auth_comp_id(String ptnr2_auth_comp_id) { - this.ptnr2_auth_comp_id = ptnr2_auth_comp_id; - } - /** - * @return the ptnr2_auth_seq_id - */ - public String getPtnr2_auth_seq_id() { - return ptnr2_auth_seq_id; - } - /** - * @param ptnr2_auth_seq_id the ptnr2_auth_seq_id to set - */ - public void setPtnr2_auth_seq_id(String ptnr2_auth_seq_id) { - this.ptnr2_auth_seq_id = ptnr2_auth_seq_id; - } - /** - * @return the ptnr2_symmetry - */ - public String getPtnr2_symmetry() { - return ptnr2_symmetry; - } - /** - * @param ptnr2_symmetry the ptnr2_symmetry to set - */ - public void setPtnr2_symmetry(String ptnr2_symmetry) { - this.ptnr2_symmetry = ptnr2_symmetry; - } - /** - * @return the pdbx_ptnr3_label_atom_id - */ - public String getPdbx_ptnr3_label_atom_id() { - return pdbx_ptnr3_label_atom_id; - } - /** - * @param pdbx_ptnr3_label_atom_id the pdbx_ptnr3_label_atom_id to set - */ - public void setPdbx_ptnr3_label_atom_id(String pdbx_ptnr3_label_atom_id) { - this.pdbx_ptnr3_label_atom_id = pdbx_ptnr3_label_atom_id; - } - /** - * @return the pdbx_ptnr3_label_seq_id - */ - public String getPdbx_ptnr3_label_seq_id() { - return pdbx_ptnr3_label_seq_id; - } - /** - * @param pdbx_ptnr3_label_seq_id the pdbx_ptnr3_label_seq_id to set - */ - public void setPdbx_ptnr3_label_seq_id(String pdbx_ptnr3_label_seq_id) { - this.pdbx_ptnr3_label_seq_id = pdbx_ptnr3_label_seq_id; - } - /** - * @return the pdbx_ptnr3_label_comp_id - */ - public String getPdbx_ptnr3_label_comp_id() { - return pdbx_ptnr3_label_comp_id; - } - /** - * @param pdbx_ptnr3_label_comp_id the pdbx_ptnr3_label_comp_id to set - */ - public void setPdbx_ptnr3_label_comp_id(String pdbx_ptnr3_label_comp_id) { - this.pdbx_ptnr3_label_comp_id = pdbx_ptnr3_label_comp_id; - } - /** - * @return the pdbx_ptnr3_label_asym_id - */ - public String getPdbx_ptnr3_label_asym_id() { - return pdbx_ptnr3_label_asym_id; - } - /** - * @param pdbx_ptnr3_label_asym_id the pdbx_ptnr3_label_asym_id to set - */ - public void setPdbx_ptnr3_label_asym_id(String pdbx_ptnr3_label_asym_id) { - this.pdbx_ptnr3_label_asym_id = pdbx_ptnr3_label_asym_id; - } - /** - * @return the pdbx_ptnr3_label_alt_id - */ - public String getPdbx_ptnr3_label_alt_id() { - return pdbx_ptnr3_label_alt_id; - } - /** - * @param pdbx_ptnr3_label_alt_id the pdbx_ptnr3_label_alt_id to set - */ - public void setPdbx_ptnr3_label_alt_id(String pdbx_ptnr3_label_alt_id) { - this.pdbx_ptnr3_label_alt_id = pdbx_ptnr3_label_alt_id; - } - /** - * @return the pdbx_ptnr3_PDB_ins_code - */ - public String getPdbx_ptnr3_PDB_ins_code() { - return pdbx_ptnr3_PDB_ins_code; - } - /** - * @param pdbx_ptnr3_PDB_ins_code the pdbx_ptnr3_PDB_ins_code to set - */ - public void setPdbx_ptnr3_PDB_ins_code(String pdbx_ptnr3_PDB_ins_code) { - this.pdbx_ptnr3_PDB_ins_code = pdbx_ptnr3_PDB_ins_code; - } - /** - * @return the details - */ - public String getDetails() { - return details; - } - /** - * @param details the details to set - */ - public void setDetails(String details) { - this.details = details; - } - /** - * @return the pdbx_dist_value - */ - public String getPdbx_dist_value() { - return pdbx_dist_value; - } - /** - * @param pdbx_dist_value the pdbx_dist_value to set - */ - public void setPdbx_dist_value(String pdbx_dist_value) { - this.pdbx_dist_value = pdbx_dist_value; - } - /** - * @return the pdbx_value_order - */ - public String getPdbx_value_order() { - return pdbx_value_order; - } - /** - * @param pdbx_value_order the pdbx_value_order to set - */ - public void setPdbx_value_order(String pdbx_value_order) { - this.pdbx_value_order = pdbx_value_order; - } - - public String getPdbx_leaving_atom_flag() { - return pdbx_leaving_atom_flag; - } - - public void setPdbx_leaving_atom_flag(String pdbx_leaving_atom_flag) { - this.pdbx_leaving_atom_flag = pdbx_leaving_atom_flag; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructKeywords.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructKeywords.java deleted file mode 100644 index f09fa63d62..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructKeywords.java +++ /dev/null @@ -1,46 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -public class StructKeywords { - String entry_id; - String pdbx_keywords; - String text; - public String getEntry_id() { - return entry_id; - } - public void setEntry_id(String entry_id) { - this.entry_id = entry_id; - } - public String getPdbx_keywords() { - return pdbx_keywords; - } - public void setPdbx_keywords(String pdbx_keywords) { - this.pdbx_keywords = pdbx_keywords; - } - public String getText() { - return text; - } - public void setText(String text) { - this.text = text; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructNcsOper.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructNcsOper.java deleted file mode 100644 index 2ec97bfb32..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructNcsOper.java +++ /dev/null @@ -1,282 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - - -/** - * A class containing the _struct_ncs_oper data - * - * 
      - *  _struct_ncs_oper.id
- *  _struct_ncs_oper.code
- *  _struct_ncs_oper.details
- * 	_struct_ncs_oper.matrix[1][1]
- *	_struct_ncs_oper.matrix[1][2]
- *	_struct_ncs_oper.matrix[1][3]
- *	_struct_ncs_oper.matrix[2][1]
- *	_struct_ncs_oper.matrix[2][2]
- *	_struct_ncs_oper.matrix[2][3]
- *	_struct_ncs_oper.matrix[3][1]
- *	_struct_ncs_oper.matrix[3][2]
- *	_struct_ncs_oper.matrix[3][3]
- *	_struct_ncs_oper.vector[1]
- *	_struct_ncs_oper.vector[2]
- *	_struct_ncs_oper.vector[3]
- *
      - * - * @author Jose Duarte - */ -public class StructNcsOper extends AbstractBean { - - private String id; - private String code; - private String details; - - @CIFLabel(label="matrix[1][1]") - private String matrix11; - - @CIFLabel(label="matrix[1][2]") - private String matrix12; - - @CIFLabel(label="matrix[1][3]") - private String matrix13; - - @CIFLabel(label="matrix[2][1]") - private String matrix21; - - @CIFLabel(label="matrix[2][2]") - private String matrix22; - - @CIFLabel(label="matrix[2][3]") - private String matrix23; - - @CIFLabel(label="matrix[3][1]") - private String matrix31; - - @CIFLabel(label="matrix[3][2]") - private String matrix32; - - @CIFLabel(label="matrix[3][3]") - private String matrix33; - - @CIFLabel(label="vector[1]") - private String vector1; - - @CIFLabel(label="vector[2]") - private String vector2; - - @CIFLabel(label="vector[3]") - private String vector3; - - - public String getId() { - return id; - } - - public void setId(String id) { - this.id = id; - } - - public String getCode() { - return code; - } - - public void setCode(String code) { - this.code = code; - } - - public String getDetails() { - return details; - } - - public void setDetails(String details) { - this.details = details; - } - - /** - * @return the matrix11 - */ - public String getMatrix11() { - return matrix11; - } - - /** - * @param matrix11 the matrix11 to set - */ - public void setMatrix11(String matrix11) { - this.matrix11 = matrix11; - } - - /** - * @return the matrix12 - */ - public String getMatrix12() { - return matrix12; - } - - /** - * @param matrix12 the matrix12 to set - */ - public void setMatrix12(String matrix12) { - this.matrix12 = matrix12; - } - - /** - * @return the matrix13 - */ - public String getMatrix13() { - return matrix13; - } - - /** - * @param matrix13 the matrix13 to set - */ - public void setMatrix13(String matrix13) { - this.matrix13 = matrix13; - } - - /** - * @return the matrix21 - */ - public String getMatrix21() { - return matrix21; - } - - /** - * @param matrix21 the matrix21 to set - */ - public void setMatrix21(String matrix21) { - this.matrix21 = matrix21; - } - - /** - * @return the matrix22 - */ - public String getMatrix22() { - return matrix22; - } - - /** - * @param matrix22 the matrix22 to set - */ - public void setMatrix22(String matrix22) { - this.matrix22 = matrix22; - } - - /** - * @return the matrix23 - */ - public String getMatrix23() { - return matrix23; - } - - /** - * @param matrix23 the matrix23 to set - */ - public void setMatrix23(String matrix23) { - this.matrix23 = matrix23; - } - - /** - * @return the matrix31 - */ - public String getMatrix31() { - return matrix31; - } - - /** - * @param matrix31 the matrix31 to set - */ - public void setMatrix31(String matrix31) { - this.matrix31 = matrix31; - } - - /** - * @return the matrix32 - */ - public String getMatrix32() { - return matrix32; - } - - /** - * @param matrix32 the matrix32 to set - */ - public void setMatrix32(String matrix32) { - this.matrix32 = matrix32; - } - - /** - * @return the matrix33 - */ - public String getMatrix33() { - return matrix33; - } - - /** - * @param matrix33 the matrix33 to set - */ - public void setMatrix33(String matrix33) { - this.matrix33 = matrix33; - } - - /** - * @return the vector1 - */ - public String getVector1() { - return vector1; - } - - /** - * @param vector1 the vector1 to set - */ - public void setVector1(String vector1) { - this.vector1 = vector1; - } - - /** - * @return the vector2 - */ - public String getVector2() { - return vector2; - } - - /** - * @param vector2 the vector2 to set - */ - public void setVector2(String vector2) { - this.vector2 = vector2; - } - - /** - * @return the vector3 - */ - public String getVector3() { - return vector3; - } - - /** - * @param vector3 the vector3 to set - */ - public void setVector3(String vector3) { - this.vector3 = vector3; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructRef.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructRef.java deleted file mode 100644 index 750f4c7b68..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructRef.java +++ /dev/null @@ -1,89 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at May 31, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** A class to containt the _struct_ref field data - * - * @author Andreas Prlic - * - */ -public class StructRef extends AbstractBean { - String id; - String db_name; - String db_code; - String entity_id; - String pdbx_db_accession; - String pdbx_align_begin; - String pdbx_seq_one_letter_code; - String biol_id; - public String getBiol_id() { - return biol_id; - } - public void setBiol_id(String biol_id) { - this.biol_id = biol_id; - } - public String getId() { - return id; - } - public void setId(String id) { - this.id = id; - } - public String getDb_name() { - return db_name; - } - public void setDb_name(String db_name) { - this.db_name = db_name; - } - public String getDb_code() { - return db_code; - } - public void setDb_code(String db_code) { - this.db_code = db_code; - } - public String getEntity_id() { - return entity_id; - } - public void setEntity_id(String entity_id) { - this.entity_id = entity_id; - } - public String getPdbx_db_accession() { - return pdbx_db_accession; - } - public void setPdbx_db_accession(String pdbx_db_accession) { - this.pdbx_db_accession = pdbx_db_accession; - } - public String getPdbx_align_begin() { - return pdbx_align_begin; - } - public void setPdbx_align_begin(String pdbx_align_begin) { - this.pdbx_align_begin = pdbx_align_begin; - } - public String getPdbx_seq_one_letter_code() { - return pdbx_seq_one_letter_code; - } - public void setPdbx_seq_one_letter_code(String pdbx_seq_one_letter_code) { - this.pdbx_seq_one_letter_code = pdbx_seq_one_letter_code; - } - - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructRefSeq.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructRefSeq.java deleted file mode 100644 index 32d14314bf..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructRefSeq.java +++ /dev/null @@ -1,146 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at May 31, 2008 - */ -package org.biojava.nbio.structure.io.mmcif.model; - -public class StructRefSeq extends AbstractBean{ - String align_id; - String ref_id; - String pdbx_PDB_id_code; - String pdbx_strand_id; - String seq_align_beg; - String pdbx_seq_align_beg_ins_code; - String seq_align_end; - String pdbx_seq_align_end_ins_code; - String pdbx_db_accession; - String db_align_beg; - String pdbx_db_align_beg_ins_code; - String db_align_end; - String pdbx_db_align_end_ins_code; - String pdbx_auth_seq_align_beg; - String pdbx_auth_seq_align_end; - String details; - - public StructRefSeq(){ - super(); - pdbx_db_align_beg_ins_code = "?"; - pdbx_db_align_end_ins_code = "?"; - - } - - public String getAlign_id() { - return align_id; - } - public void setAlign_id(String align_id) { - this.align_id = align_id; - } - public String getRef_id() { - return ref_id; - } - public void setRef_id(String ref_id) { - this.ref_id = ref_id; - } - public String getPdbx_PDB_id_code() { - return pdbx_PDB_id_code; - } - public void setPdbx_PDB_id_code(String pdbx_PDB_id_code) { - this.pdbx_PDB_id_code = pdbx_PDB_id_code; - } - public String getPdbx_strand_id() { - return pdbx_strand_id; - } - public void setPdbx_strand_id(String pdbx_strand_id) { - this.pdbx_strand_id = pdbx_strand_id; - } - public String getSeq_align_beg() { - return seq_align_beg; - } - public void setSeq_align_beg(String seq_align_beg) { - this.seq_align_beg = seq_align_beg; - } - public String getPdbx_seq_align_beg_ins_code() { - return pdbx_seq_align_beg_ins_code; - } - public void setPdbx_seq_align_beg_ins_code(String pdbx_seq_align_beg_ins_code) { - this.pdbx_seq_align_beg_ins_code = pdbx_seq_align_beg_ins_code; - } - public String getSeq_align_end() { - return seq_align_end; - } - public void setSeq_align_end(String seq_align_end) { - this.seq_align_end = seq_align_end; - } - public String getPdbx_seq_align_end_ins_code() { - return pdbx_seq_align_end_ins_code; - } - public void setPdbx_seq_align_end_ins_code(String pdbx_seq_align_end_ins_code) { - this.pdbx_seq_align_end_ins_code = pdbx_seq_align_end_ins_code; - } - public String getPdbx_db_accession() { - return pdbx_db_accession; - } - public void setPdbx_db_accession(String pdbx_db_accession) { - this.pdbx_db_accession = pdbx_db_accession; - } - public String getDb_align_beg() { - return db_align_beg; - } - public void setDb_align_beg(String db_align_beg) { - this.db_align_beg = db_align_beg; - } - public String getPdbx_db_align_beg_ins_code() { - return pdbx_db_align_beg_ins_code; - } - public void setPdbx_db_align_beg_ins_code(String pdbx_db_align_beg_ins_code) { - this.pdbx_db_align_beg_ins_code = pdbx_db_align_beg_ins_code; - } - public String getDb_align_end() { - return db_align_end; - } - public void setDb_align_end(String db_align_end) { - this.db_align_end = db_align_end; - } - public String getPdbx_db_align_end_ins_code() { - return pdbx_db_align_end_ins_code; - } - public void setPdbx_db_align_end_ins_code(String pdbx_db_align_end_ins_code) { - this.pdbx_db_align_end_ins_code = pdbx_db_align_end_ins_code; - } - public String getPdbx_auth_seq_align_beg() { - return pdbx_auth_seq_align_beg; - } - public void setPdbx_auth_seq_align_beg(String pdbx_auth_seq_align_beg) { - this.pdbx_auth_seq_align_beg = pdbx_auth_seq_align_beg; - } - public String getPdbx_auth_seq_align_end() { - return pdbx_auth_seq_align_end; - } - public void setPdbx_auth_seq_align_end(String pdbx_auth_seq_align_end) { - this.pdbx_auth_seq_align_end = pdbx_auth_seq_align_end; - } - public String getDetails() { - return details; - } - public void setDetails(String details) { - this.details = details; - } - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructRefSeqDif.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructRefSeqDif.java deleted file mode 100644 index 0b70bcb00e..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructRefSeqDif.java +++ /dev/null @@ -1,147 +0,0 @@ -package org.biojava.nbio.structure.io.mmcif.model; - -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * Created by andreas on 9/11/15. - */ - -/** A class to store sequence mismatch annotations - * - */ -public class StructRefSeqDif { - - String align_id; - String pdbx_pdb_id_code; - String mon_id; - String pdbx_pdb_strand_id; - Integer seq_num; - String pdbx_pdb_ins_code; - String pdbx_seq_db_name; - String pdbx_seq_db_accession_code; - String db_mon_id; - String pdbx_seq_db_seq_num; - String details; - String pdbx_auth_seq_num; - Integer pdbx_ordinal; - - public String getAlign_id() { - return align_id; - } - - public void setAlign_id(String align_id) { - this.align_id = align_id; - } - - public String getPdbx_pdb_id_code() { - return pdbx_pdb_id_code; - } - - public void setPdbx_pdb_id_code(String pdbx_pdb_id_code) { - this.pdbx_pdb_id_code = pdbx_pdb_id_code; - } - - public String getMon_id() { - return mon_id; - } - - public void setMon_id(String mon_id) { - this.mon_id = mon_id; - } - - public String getPdbx_pdb_strand_id() { - return pdbx_pdb_strand_id; - } - - public void setPdbx_pdb_strand_id(String pdbx_pdb_strand_id) { - this.pdbx_pdb_strand_id = pdbx_pdb_strand_id; - } - - public Integer getSeq_num() { - return seq_num; - } - - public void setSeq_num(Integer seq_num) { - this.seq_num = seq_num; - } - - public String getPdbx_pdb_ins_code() { - return pdbx_pdb_ins_code; - } - - public void setPdbx_pdb_ins_code(String pdbx_pdb_ins_code) { - this.pdbx_pdb_ins_code = pdbx_pdb_ins_code; - } - - public String getPdbx_seq_db_name() { - return pdbx_seq_db_name; - } - - public void setPdbx_seq_db_name(String pdbx_seq_db_name) { - this.pdbx_seq_db_name = pdbx_seq_db_name; - } - - public String getPdbx_seq_db_accession_code() { - return pdbx_seq_db_accession_code; - } - - public void setPdbx_seq_db_accession_code(String pdbx_seq_db_accession_code) { - this.pdbx_seq_db_accession_code = pdbx_seq_db_accession_code; - } - - public String getDb_mon_id() { - return db_mon_id; - } - - public void setDb_mon_id(String db_mon_id) { - this.db_mon_id = db_mon_id; - } - - public String getPdbx_seq_db_seq_num() { - return pdbx_seq_db_seq_num; - } - - public void setPdbx_seq_db_seq_num(String pdbx_seq_db_seq_num) { - this.pdbx_seq_db_seq_num = pdbx_seq_db_seq_num; - } - - public String getDetails() { - return details; - } - - public void setDetails(String details) { - this.details = details; - } - - public String getPdbx_auth_seq_num() { - return pdbx_auth_seq_num; - } - - public void setPdbx_auth_seq_num(String pdbx_auth_seq_num) { - this.pdbx_auth_seq_num = pdbx_auth_seq_num; - } - - public Integer getPdbx_ordinal() { - return pdbx_ordinal; - } - - public void setPdbx_ordinal(Integer pdbx_ordinal) { - this.pdbx_ordinal = pdbx_ordinal; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructSite.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructSite.java deleted file mode 100644 index 21179b51f5..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructSite.java +++ /dev/null @@ -1,114 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** - * Created by Matt on 11/1/2015. - */ -public class StructSite { - String id; - String details; - String pdbx_evidence_code; - String pdbx_auth_asym_id; - String pdbx_auth_comp_id; - String pdbx_auth_seq_id; - String pdbx_num_residues; - - public String getId() { - return id; - } - - public void setId(String id) { - this.id = id; - } - - public String getDetails() { - return details; - } - - public void setDetails(String details) { - this.details = details; - } - - public String getPdbx_evidence_code() { - return pdbx_evidence_code; - } - - public void setPdbx_evidence_code(String pdbx_evidence_code) { - this.pdbx_evidence_code = pdbx_evidence_code; - } - - /** - * @return the pdbx_auth_asym_id - */ - public String getPdbx_auth_asym_id() { - return pdbx_auth_asym_id; - } - - /** - * @param pdbx_auth_asym_id the pdbx_auth_asym_id to set - */ - public void setPdbx_auth_asym_id(String pdbx_auth_asym_id) { - this.pdbx_auth_asym_id = pdbx_auth_asym_id; - } - - /** - * @return the pdbx_auth_comp_id - */ - public String getPdbx_auth_comp_id() { - return pdbx_auth_comp_id; - } - - /** - * @param pdbx_auth_comp_id the pdbx_auth_comp_id to set - */ - public void setPdbx_auth_comp_id(String pdbx_auth_comp_id) { - this.pdbx_auth_comp_id = pdbx_auth_comp_id; - } - - /** - * @return the pdbx_auth_seq_id - */ - public String getPdbx_auth_seq_id() { - return pdbx_auth_seq_id; - } - - /** - * @param pdbx_auth_seq_id the pdbx_auth_seq_id to set - */ - public void setPdbx_auth_seq_id(String pdbx_auth_seq_id) { - this.pdbx_auth_seq_id = pdbx_auth_seq_id; - } - - /** - * @return the pdbx_num_residues - */ - public String getPdbx_num_residues() { - return pdbx_num_residues; - } - - /** - * @param pdbx_num_residues the pdbx_num_residues to set - */ - public void setPdbx_num_residues(String pdbx_num_residues) { - this.pdbx_num_residues = pdbx_num_residues; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructSiteGen.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructSiteGen.java deleted file mode 100644 index 8cb91fe6dc..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/StructSiteGen.java +++ /dev/null @@ -1,166 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - -/** - * Created by Matt on 10/31/2015. - */ -public class StructSiteGen extends AbstractBean { - String id; - String site_id; - String auth_asym_id; - String auth_atom_id; - String auth_comp_id; - String auth_seq_id; - String label_alt_id; - String label_asym_id; - String label_atom_id; - String label_comp_id; - String label_seq_id; - String details; - String pdbx_auth_ins_code; - String pdbx_num_res; - String symmetry; - - public StructSiteGen() { - super(); - } - - public String getId() { - return id; - } - - public void setId(String id) { - this.id = id; - } - - public String getSite_id() { - return site_id; - } - - public void setSite_id(String site_id) { - this.site_id = site_id; - } - - public String getAuth_asym_id() { - return auth_asym_id; - } - - public void setAuth_asym_id(String auth_asym_id) { - this.auth_asym_id = auth_asym_id; - } - - public String getAuth_atom_id() { - return auth_atom_id; - } - - public void setAuth_atom_id(String auth_atom_id) { - this.auth_atom_id = auth_atom_id; - } - - public String getAuth_comp_id() { - return auth_comp_id; - } - - public void setAuth_comp_id(String auth_comp_id) { - this.auth_comp_id = auth_comp_id; - } - - public String getAuth_seq_id() { - return auth_seq_id; - } - - public void setAuth_seq_id(String auth_seq_id) { - this.auth_seq_id = auth_seq_id; - } - - public String getLabel_alt_id() { - return label_alt_id; - } - - public void setLabel_alt_id(String label_alt_id) { - this.label_alt_id = label_alt_id; - } - - public String getLabel_asym_id() { - return label_asym_id; - } - - public void setLabel_asym_id(String label_asym_id) { - this.label_asym_id = label_asym_id; - } - - public String getLabel_atom_id() { - return label_atom_id; - } - - public void setLabel_atom_id(String label_atom_id) { - this.label_atom_id = label_atom_id; - } - - public String getLabel_comp_id() { - return label_comp_id; - } - - public void setLabel_comp_id(String label_comp_id) { - this.label_comp_id = label_comp_id; - } - - public String getLabel_seq_id() { - return label_seq_id; - } - - public void setLabel_seq_id(String label_seq_id) { - this.label_seq_id = label_seq_id; - } - - public String getDetails() { - return details; - } - - public void setDetails(String details) { - this.details = details; - } - - public String getPdbx_auth_ins_code() { - return pdbx_auth_ins_code; - } - - public void setPdbx_auth_ins_code(String pdbx_auth_ins_code) { - this.pdbx_auth_ins_code = pdbx_auth_ins_code; - } - - public String getPdbx_num_res() { - return pdbx_num_res; - } - - public void setPdbx_num_res(String pdbx_num_res) { - this.pdbx_num_res = pdbx_num_res; - } - - public String getSymmetry() { - return symmetry; - } - - public void setSymmetry(String symmetry) { - this.symmetry = symmetry; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Symmetry.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Symmetry.java deleted file mode 100644 index d91ef11718..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/Symmetry.java +++ /dev/null @@ -1,71 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io.mmcif.model; - - -public class Symmetry extends AbstractBean { - - String entry_id; - @CIFLabel(label="space_group_name_H-M") - String space_group_name_H_M; - @CIFLabel(label="pdbx_full_space_group_name_H-M") - String pdbx_full_space_group_name_H_M; - String cell_setting; - String Int_Tables_number; - String space_group_name_Hall; - public String getEntry_id() { - return entry_id; - } - public void setEntry_id(String entry_id) { - this.entry_id = entry_id; - } - public String getSpace_group_name_H_M() { - return space_group_name_H_M; - } - public void setSpace_group_name_H_M(String space_group_name_H_M) { - this.space_group_name_H_M = space_group_name_H_M; - } - public String getPdbx_full_space_group_name_H_M() { - return pdbx_full_space_group_name_H_M; - } - public void setPdbx_full_space_group_name_H_M( - String pdbx_full_space_group_name_H_M) { - this.pdbx_full_space_group_name_H_M = pdbx_full_space_group_name_H_M; - } - public String getCell_setting() { - return cell_setting; - } - public void setCell_setting(String cell_setting) { - this.cell_setting = cell_setting; - } - public String getInt_Tables_number() { - return Int_Tables_number; - } - public void setInt_Tables_number(String int_Tables_number) { - Int_Tables_number = int_Tables_number; - } - public String getSpace_group_name_Hall() { - return space_group_name_Hall; - } - public void setSpace_group_name_Hall(String space_group_name_Hall) { - this.space_group_name_Hall = space_group_name_Hall; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/package-info.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/package-info.java deleted file mode 100644 index 7f362f0d27..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/model/package-info.java +++ /dev/null @@ -1,24 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -/** - * Datamodel objects used for processing mmcif files. This are beans that can represent the data from a category in mmcif. - */ -package org.biojava.nbio.structure.io.mmcif.model; \ No newline at end of file diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/package-info.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/package-info.java deleted file mode 100644 index 02a4328875..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmcif/package-info.java +++ /dev/null @@ -1,26 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -/** - * Input and Output of mmcif files. - * - * See also the BioJava 3 tutorial for more information on mmCif parsing. - */ -package org.biojava.nbio.structure.io.mmcif; \ No newline at end of file diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/quaternary/BiologicalAssemblyBuilder.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/quaternary/BiologicalAssemblyBuilder.java index 502730dcf3..083633c28f 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/quaternary/BiologicalAssemblyBuilder.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/quaternary/BiologicalAssemblyBuilder.java @@ -25,9 +25,9 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.EntityInfo; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssembly; -import org.biojava.nbio.structure.io.mmcif.model.PdbxStructAssemblyGen; -import org.biojava.nbio.structure.io.mmcif.model.PdbxStructOperList; +import org.rcsb.cif.schema.mm.PdbxStructAssembly; +import org.rcsb.cif.schema.mm.PdbxStructAssemblyGen; +import org.rcsb.cif.schema.mm.PdbxStructOperList; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -242,121 +242,118 @@ private void addChainFlattened(Structure s, Chain newChain, String transformId) * Returns a list of transformation matrices for the generation of a macromolecular * assembly for the specified assembly Id. * - * @param psa - * @param psags - * @param operators + * @param pdbxStructAssembly + * @param assemblyIndex + * @param pdbxStructAssemblyGen + * @param pdbxStructOperList * @return list of transformation matrices to generate macromolecular assembly */ - public ArrayList getBioUnitTransformationList(PdbxStructAssembly psa, List psags, List operators) { + public List getBioUnitTransformationList(PdbxStructAssembly pdbxStructAssembly, + int assemblyIndex, + PdbxStructAssemblyGen pdbxStructAssemblyGen, + PdbxStructOperList pdbxStructOperList) { init(); // first we populate the list of all operators from pdbx_struct_oper_list so that we can then // get them from getBioUnitTransformationsListUnaryOperators() and getBioUnitTransformationsListBinaryOperators() - for (PdbxStructOperList oper: operators){ + for (int i = 0; i < pdbxStructOperList.getRowCount(); i++) { try { Matrix4d m = new Matrix4d(); - m.m00 = Double.parseDouble(oper.getMatrix11()); - m.m01 = Double.parseDouble(oper.getMatrix12()); - m.m02 = Double.parseDouble(oper.getMatrix13()); + m.m00 = pdbxStructOperList.getMatrix11().get(i); + m.m01 = pdbxStructOperList.getMatrix12().get(i); + m.m02 = pdbxStructOperList.getMatrix13().get(i); - m.m10 = Double.parseDouble(oper.getMatrix21()); - m.m11 = Double.parseDouble(oper.getMatrix22()); - m.m12 = Double.parseDouble(oper.getMatrix23()); + m.m10 = pdbxStructOperList.getMatrix21().get(i); + m.m11 = pdbxStructOperList.getMatrix22().get(i); + m.m12 = pdbxStructOperList.getMatrix23().get(i); - m.m20 = Double.parseDouble(oper.getMatrix31()); - m.m21 = Double.parseDouble(oper.getMatrix32()); - m.m22 = Double.parseDouble(oper.getMatrix33()); + m.m20 = pdbxStructOperList.getMatrix31().get(i); + m.m21 = pdbxStructOperList.getMatrix32().get(i); + m.m22 = pdbxStructOperList.getMatrix33().get(i); - m.m03 = Double.parseDouble(oper.getVector1()); - m.m13 = Double.parseDouble(oper.getVector2()); - m.m23 = Double.parseDouble(oper.getVector3()); + m.m03 = pdbxStructOperList.getVector1().get(i); + m.m13 = pdbxStructOperList.getVector2().get(i); + m.m23 = pdbxStructOperList.getVector3().get(i); m.m30 = 0; m.m31 = 0; m.m32 = 0; m.m33 = 1; - allTransformations.put(oper.getId(), m); - + allTransformations.put(pdbxStructOperList.getId().get(i), m); } catch (NumberFormatException e) { - logger.warn("Could not parse a matrix value from pdbx_struct_oper_list for id {}. The operator id will be ignored. Error: {}", oper.getId(), e.getMessage()); + logger.warn("Could not parse a matrix value from pdbx_struct_oper_list for id {}. The operator id will be ignored. Error: {}", pdbxStructOperList.getId().get(i), e.getMessage()); } } - ArrayList transformations = getBioUnitTransformationsListUnaryOperators(psa.getId(), psags); - transformations.addAll(getBioUnitTransformationsListBinaryOperators(psa.getId(), psags)); + String assemblyId = pdbxStructAssembly.getId().get(assemblyIndex); + ArrayList transformations = getBioUnitTransformationsListUnaryOperators(assemblyId, pdbxStructAssemblyGen); + transformations.addAll(getBioUnitTransformationsListBinaryOperators(assemblyId, pdbxStructAssemblyGen)); transformations.trimToSize(); return transformations; } - - private ArrayList getBioUnitTransformationsListBinaryOperators(String assemblyId, List psags) { - + private ArrayList getBioUnitTransformationsListBinaryOperators(String assemblyId, PdbxStructAssemblyGen pdbxStructAssemblyGen) { ArrayList transformations = new ArrayList<>(); - List> operators = operatorResolver.getBinaryOperators(); + for (int i = 0; i < pdbxStructAssemblyGen.getRowCount(); i++) { + if (!pdbxStructAssemblyGen.getAssemblyId().get(i).equals(assemblyId)) { + continue; + } - for ( PdbxStructAssemblyGen psag : psags){ - if ( psag.getAssembly_id().equals(assemblyId)) { - - ListasymIds= Arrays.asList(psag.getAsym_id_list().split(",")); - - operatorResolver.parseOperatorExpressionString(psag.getOper_expression()); - - // apply binary operators to the specified chains - // Example 1M4X: generates all products of transformation matrices (1-60)(61-88) - for (String chainId : asymIds) { - - for (OrderedPair operator : operators) { - Matrix4d original1 = allTransformations.get(operator.getElement1()); - Matrix4d original2 = allTransformations.get(operator.getElement2()); - if (original1 == null || original2 == null) { - logger.warn("Could not find matrix operator for operator id {} or {}. Assembly id {} will not contain the composed operator.", operator.getElement1(), operator.getElement2(), assemblyId); - continue; - } - Matrix4d composed = new Matrix4d(original1); - composed.mul(original2); - BiologicalAssemblyTransformation transform = new BiologicalAssemblyTransformation(); - transform.setChainId(chainId); - transform.setId(operator.getElement1() + COMPOSED_OPERATOR_SEPARATOR + operator.getElement2()); - transform.setTransformationMatrix(composed); - transformations.add(transform); + String[] asymIds= pdbxStructAssemblyGen.getAsymIdList().get(i).split(","); + operatorResolver.parseOperatorExpressionString(pdbxStructAssemblyGen.getOperExpression().get(i)); + + // apply binary operators to the specified chains + // Example 1M4X: generates all products of transformation matrices (1-60)(61-88) + for (String chainId : asymIds) { + for (OrderedPair operator : operators) { + Matrix4d original1 = allTransformations.get(operator.getElement1()); + Matrix4d original2 = allTransformations.get(operator.getElement2()); + if (original1 == null || original2 == null) { + logger.warn("Could not find matrix operator for operator id {} or {}. Assembly id {} will not contain the composed operator.", operator.getElement1(), operator.getElement2(), assemblyId); + continue; } + Matrix4d composed = new Matrix4d(original1); + composed.mul(original2); + BiologicalAssemblyTransformation transform = new BiologicalAssemblyTransformation(); + transform.setChainId(chainId); + transform.setId(operator.getElement1() + COMPOSED_OPERATOR_SEPARATOR + operator.getElement2()); + transform.setTransformationMatrix(composed); + transformations.add(transform); } } - } return transformations; } - private ArrayList getBioUnitTransformationsListUnaryOperators(String assemblyId, List psags) { - ArrayList transformations = new ArrayList(); - - - for ( PdbxStructAssemblyGen psag : psags){ - if ( psag.getAssembly_id().equals(assemblyId)) { - - operatorResolver.parseOperatorExpressionString(psag.getOper_expression()); - List operators = operatorResolver.getUnaryOperators(); + private ArrayList getBioUnitTransformationsListUnaryOperators(String assemblyId, PdbxStructAssemblyGen pdbxStructAssemblyGen) { + ArrayList transformations = new ArrayList<>(); - ListasymIds= Arrays.asList(psag.getAsym_id_list().split(",")); + for (int i = 0; i < pdbxStructAssemblyGen.getRowCount(); i++) { + if (!pdbxStructAssemblyGen.getAssemblyId().get(i).equals(assemblyId)) { + continue; + } - // apply unary operators to the specified chains - for (String chainId : asymIds) { - for (String operator : operators) { - Matrix4d original = allTransformations.get(operator); - if (original == null) { - logger.warn("Could not find matrix operator for operator id {}. Assembly id {} will not contain the operator.", operator, assemblyId); - continue; - } - BiologicalAssemblyTransformation transform = new BiologicalAssemblyTransformation(); - transform.setChainId(chainId); - transform.setId(operator); - transform.setTransformationMatrix(original); - transformations.add(transform); + operatorResolver.parseOperatorExpressionString(pdbxStructAssemblyGen.getOperExpression().get(i)); + List operators = operatorResolver.getUnaryOperators(); + String[] asymIds = pdbxStructAssemblyGen.getAsymIdList().get(i).split(","); + + // apply unary operators to the specified chains + for (String chainId : asymIds) { + for (String operator : operators) { + Matrix4d original = allTransformations.get(operator); + if (original == null) { + logger.warn("Could not find matrix operator for operator id {}. Assembly id {} will not contain the operator.", operator, assemblyId); + continue; } + BiologicalAssemblyTransformation transform = new BiologicalAssemblyTransformation(); + transform.setChainId(chainId); + transform.setId(operator); + transform.setTransformationMatrix(original); + transformations.add(transform); } } } @@ -364,8 +361,8 @@ private ArrayList getBioUnitTransformationsLis return transformations; } - private void init(){ - operatorResolver= new OperatorResolver(); + private void init() { + operatorResolver = new OperatorResolver(); allTransformations = new HashMap<>(); } } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java index bb46670bae..87fc80a314 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java @@ -28,7 +28,6 @@ import org.biojava.nbio.structure.io.LocalPDBDirectory; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; -import org.biojava.nbio.structure.io.MMCIFFileReader; import org.biojava.nbio.structure.io.PDBFileReader; import org.junit.Before; import org.junit.Test; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java index 58a2623062..6ba61088b4 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java @@ -54,7 +54,6 @@ import org.biojava.nbio.structure.io.LocalPDBDirectory; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; -import org.biojava.nbio.structure.io.MMCIFFileReader; import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import org.biojava.nbio.structure.io.mmcif.model.ChemComp; From 993665a74da8e35e27641eebdf6ac0b506455e30 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Thu, 14 Jan 2021 09:48:15 -0800 Subject: [PATCH 238/821] wip (TODO chemcomp parsing) --- .../java/demo/DemoChangeChemCompProvider.java | 4 - .../src/main/java/demo/DemoMMCIFReader.java | 3 +- .../nbio/structure/AtomPositionMap.java | 1 + .../org/biojava/nbio/structure/ChainImpl.java | 2 +- .../nbio/structure/DatabasePDBRevRecord.java | 3 - .../biojava/nbio/structure/HetatomImpl.java | 7 +- .../nbio/structure/align/ce/CECalculator.java | 4 +- .../align/ce/CeCalculatorEnhanced.java | 6 +- .../structure/chem/AllChemCompProvider.java | 185 -------- .../biojava/nbio/structure/chem/ChemComp.java | 38 +- .../structure/chem/ChemCompContainer.java | 13 - .../structure/chem/ChemCompGroupFactory.java | 131 ------ .../nbio/structure/chem/ChemCompProvider.java | 15 - .../nbio/structure/chem/ChemCompTools.java | 32 +- .../chem/ChemicalComponentDictionary.java | 54 ++- .../chem/DownloadChemCompProvider.java | 420 ------------------ .../chem/ReducedChemCompProvider.java | 56 --- .../biojava/nbio/structure/io/BondMaker.java | 6 +- .../nbio/structure/io/ChargeAdder.java | 48 +- .../nbio/structure/io/FileConvert.java | 5 +- .../nbio/structure/io/PDBFileParser.java | 6 +- .../nbio/structure/io/SeqRes2AtomAligner.java | 8 +- .../structure/io/cif/ChemCompConsumer.java | 14 - .../io/cif/ChemCompConsumerImpl.java | 70 --- .../structure/io/cif/CifFileConsumer.java | 48 -- .../structure/io/cif/CifFileConverter.java | 4 +- .../io/cif/StructureConsumerImpl.java | 1 - .../io/mmtf/MmtfStructureReader.java | 22 +- .../io/mmtf/MmtfStructureWriter.java | 8 +- .../nbio/structure/io/mmtf/MmtfUtils.java | 12 +- 30 files changed, 135 insertions(+), 1091 deletions(-) delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompContainer.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompGroupFactory.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java diff --git a/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java b/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java index b8e4eb5430..1285d8488b 100644 --- a/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java +++ b/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java @@ -23,10 +23,6 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.chem.AllChemCompProvider; -import org.biojava.nbio.structure.chem.ChemCompGroupFactory; -import org.biojava.nbio.structure.chem.ChemCompProvider; -import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileReader; diff --git a/biojava-structure/src/main/java/demo/DemoMMCIFReader.java b/biojava-structure/src/main/java/demo/DemoMMCIFReader.java index d5ae3fea58..b94dbd2e19 100644 --- a/biojava-structure/src/main/java/demo/DemoMMCIFReader.java +++ b/biojava-structure/src/main/java/demo/DemoMMCIFReader.java @@ -26,6 +26,7 @@ import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.StructureProvider; import java.util.List; @@ -79,7 +80,7 @@ public void loadSimple(){ public void loadFromDirectAccess(){ String pdbId = "1A4W"; - StructureProvider pdbreader = new MMCIFFileReader(); + StructureProvider pdbreader = new CifFileReader(); try { Structure s = pdbreader.getStructureById(pdbId); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomPositionMap.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomPositionMap.java index d6d6f778ff..efe8822397 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomPositionMap.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/AtomPositionMap.java @@ -32,6 +32,7 @@ import java.util.NavigableMap; import java.util.TreeMap; +import org.biojava.nbio.structure.chem.ChemComp; import org.biojava.nbio.structure.chem.PolymerType; import org.biojava.nbio.structure.chem.ResidueType; import org.slf4j.Logger; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java index 7275fb07a9..8f548be835 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java @@ -24,7 +24,7 @@ package org.biojava.nbio.structure; -import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ChemComp; import org.biojava.nbio.structure.chem.PolymerType; import org.biojava.nbio.structure.io.FileConvert; import org.biojava.nbio.core.exceptions.CompoundNotFoundException; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java index e14ef16776..039c2f0cc4 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java @@ -2,9 +2,6 @@ import org.biojava.nbio.structure.io.cif.CifBean; -import java.util.ArrayList; -import java.util.List; - public class DatabasePDBRevRecord implements CifBean { private static final long serialVersionUID = 1L; private String revNum; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java index ddc4f2f636..c9c05a704c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java @@ -23,11 +23,10 @@ */ package org.biojava.nbio.structure; -import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ChemComp; import org.biojava.nbio.structure.chem.PolymerType; import org.biojava.nbio.structure.chem.ResidueType; import org.biojava.nbio.structure.io.GroupToSDF; -import org.rcsb.cif.schema.mm.ChemComp; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -336,7 +335,7 @@ public boolean isAminoAcid() { return getType().equals(GroupType.AMINOACID); - ResidueType rt = ResidueType.getResidueTypeFromString(cc.getType().get(0)); + ResidueType rt = ResidueType.getResidueTypeFromString(cc.getType()); if (ResidueType.nonPolymer.equals(rt)) return false; @@ -355,7 +354,7 @@ public boolean isNucleotide() { if ( cc == null) return getType().equals(GroupType.NUCLEOTIDE); - ResidueType rt = ResidueType.getResidueTypeFromString(cc.getType().get(0)); + ResidueType rt = ResidueType.getResidueTypeFromString(cc.getType()); if (ResidueType.nonPolymer.equals(rt)) return false; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/CECalculator.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/CECalculator.java index e70efd5183..2fb8b1184d 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/CECalculator.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/CECalculator.java @@ -1545,9 +1545,9 @@ public static double[][] updateMatrixWithSequenceConservation(double[][] max, At Atom a2 = ca2[j]; AminoAcidCompound ac1 = - set.getCompoundForString(a1.getGroup().getChemComp().getOne_letter_code()); + set.getCompoundForString(a1.getGroup().getChemComp().getOneLetterCode()); AminoAcidCompound ac2 = - set.getCompoundForString(a2.getGroup().getChemComp().getOne_letter_code()); + set.getCompoundForString(a2.getGroup().getChemComp().getOneLetterCode()); if ( ac1 == null || ac2 == null) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/CeCalculatorEnhanced.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/CeCalculatorEnhanced.java index 8610b10d0b..940111d3c8 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/CeCalculatorEnhanced.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/ce/CeCalculatorEnhanced.java @@ -1442,7 +1442,7 @@ private int optimizeSuperposition(AFPChain afpChain, int nse1, int nse2, int str for ( int i =0 ; i < strBuf1.length; i++){ if ( strBuf1[i] == null) break; - System.out.print(strBuf1[i].getGroup().getChemComp().getOne_letter_code()); + System.out.print(strBuf1[i].getGroup().getChemComp().getOneLetterCode()); } System.out.println(); @@ -1551,9 +1551,9 @@ public static double[][] updateMatrixWithSequenceConservation(double[][] max, At Atom a2 = ca2[j]; AminoAcidCompound ac1 = - set.getCompoundForString(a1.getGroup().getChemComp().getOne_letter_code()); + set.getCompoundForString(a1.getGroup().getChemComp().getOneLetterCode()); AminoAcidCompound ac2 = - set.getCompoundForString(a2.getGroup().getChemComp().getOne_letter_code()); + set.getCompoundForString(a2.getGroup().getChemComp().getOneLetterCode()); if ( ac1 == null || ac2 == null) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java deleted file mode 100644 index ef3b7414b8..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java +++ /dev/null @@ -1,185 +0,0 @@ -package org.biojava.nbio.structure.chem; - -import org.biojava.nbio.core.util.InputStreamProvider; -import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.io.LocalPDBDirectory; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.io.BufferedReader; -import java.io.File; -import java.io.FileOutputStream; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; -import java.net.URL; -import java.util.concurrent.atomic.AtomicBoolean; - -/** - * A ChemComp provider that downloads and caches the components.cif file from the wwPDB site. It then loads - * all chemical components at startup and keeps them in memory. This provider is not used as a default - * since it is slower at startup and requires more memory than the {@link DownloadChemCompProvider} that is used by default. - * - * @author Andreas Prlic - * - */ -public class AllChemCompProvider implements ChemCompProvider, Runnable{ - private static final Logger logger = LoggerFactory.getLogger(AllChemCompProvider.class); - public static final String COMPONENTS_FILE_LOCATION = "pub/pdb/data/monomers/components.cif.gz"; - - private static String path; - private static String serverName; - - // there will be only one copy of the dictionary across all instances - // to reduce memory impact - static ChemicalComponentDictionary dict; - - // flags to make sure there is only one thread running that is loading the dictionary - static AtomicBoolean loading = new AtomicBoolean(false); - static AtomicBoolean isInitialized = new AtomicBoolean(false); - - public AllChemCompProvider(){ - if (loading.get()) { - logger.warn("other thread is already loading all chemcomps, no need to init twice"); - return; - } - if (isInitialized.get()) { - return; - } - - loading.set(true); - - Thread t = new Thread(this); - t.start(); - } - - /** - * make sure all paths are initialized correctly - */ - private static void initPath(){ - if (path == null) { - UserConfiguration config = new UserConfiguration(); - path = config.getCacheFilePath(); - } - } - - private static void initServerName() { - if (serverName == null) { - serverName = LocalPDBDirectory.getServerName(); - } - } - - private void ensureFileExists() { - String fileName = getLocalFileName(); - File f = new File(fileName); - - if (!f.exists()) { - try { - downloadFile(); - } catch (IOException e) { - logger.error("Caught IOException", e); - } - } - } - - /** - * Downloads the components.cif.gz file from the wwPDB site. - */ - public static void downloadFile() throws IOException { - initPath(); - initServerName(); - - String localName = getLocalFileName(); - String u = serverName + "/" + COMPONENTS_FILE_LOCATION; - - downloadFileFromRemote(new URL(u), new File(localName)); - } - - private static void downloadFileFromRemote(URL remoteURL, File localFile) throws IOException { - logger.info("Downloading " + remoteURL + " to: " + localFile); - FileOutputStream out = new FileOutputStream(localFile); - - InputStream in = remoteURL.openStream(); - byte[] buf = new byte[4 * 1024]; // 4K buffer - int bytesRead; - while ((bytesRead = in.read(buf)) != -1) { - out.write(buf, 0, bytesRead); - } - in.close(); - out.close(); - } - - private static String getLocalFileName(){ - File dir = new File(path, DownloadChemCompProvider.CHEM_COMP_CACHE_DIRECTORY); - - if (!dir.exists()) { - logger.info("Creating directory {}", dir.toString()); - dir.mkdir(); - } - - return new File(dir, "components.cif.gz").toString(); - } - - /** - * Load all {@link ChemComp} definitions into memory. - */ - private void loadAllChemComps() throws IOException { - String fileName = getLocalFileName(); - logger.debug("Loading " + fileName); - InputStreamProvider isp = new InputStreamProvider(); - - InputStream inStream = isp.getInputStream(fileName); - MMcifParser parser = new SimpleMMcifParser(); - ChemCompConsumer consumer = new ChemCompConsumer(); - - // The Consumer builds up the BioJava - structure object. - // you could also hook in your own and build up you own data model. - parser.addMMcifConsumer(consumer); - parser.parse(new BufferedReader(new InputStreamReader(inStream))); - dict = consumer.getDictionary(); - inStream.close(); - } - - /** - * {@inheritDoc} - */ - @Override - public ChemComp getChemComp(String recordName) { - while (loading.get()) { - // another thread is still initializing the definitions - try { - // wait half a second - Thread.sleep(500); - } catch (InterruptedException e) { - logger.error("Interrupted thread while waiting: " + e.getMessage()); - //e.printStackTrace(); - } - } - - return dict.getChemComp(recordName); - } - - - /** - * Do the actual loading of the dictionary in a thread. - */ - @Override - public void run() { - long timeS = System.currentTimeMillis(); - initPath(); - ensureFileExists(); - - try { - loadAllChemComps(); - - long timeE = System.currentTimeMillis(); - logger.debug("Time to init chem comp dictionary: " + (timeE - timeS) / 1000 + " sec."); - } catch (IOException e) { - logger.error("Could not load chemical components definition file {}. Error: {}", getLocalFileName(), e.getMessage()); - } finally { - loading.set(false); - isInitialized.set(true); - } - } -} - diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java index 96631fe736..52aa39c604 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java @@ -49,26 +49,24 @@ public class ChemComp implements CifBean, Compa @Override public String toString(){ - StringBuffer buf = new StringBuffer("ChemComp "); - buf.append(id) - .append(" ") - .append(oneLetterCode) - .append(" ") - .append(threeLetterCode) - .append(" poly:") - .append(getPolymerType()) - .append(" resi:") - .append(getResidueType()) - .append(isStandard() ? " standard" : " modified") - .append(" ") - .append(name) - .append(" ") - .append(pdbxType) - .append(" ") - .append(formula) - .append(" parent:") - .append(monNstdParentCompId); - return buf.toString(); + return "ChemComp " + id + + " " + + oneLetterCode + + " " + + threeLetterCode + + " poly:" + + getPolymerType() + + " resi:" + + getResidueType() + + (isStandard() ? " standard" : " modified") + + " " + + name + + " " + + pdbxType + + " " + + formula + + " parent:" + + monNstdParentCompId; } public boolean hasParent(){ diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompContainer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompContainer.java deleted file mode 100644 index 322f927895..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompContainer.java +++ /dev/null @@ -1,13 +0,0 @@ -package org.biojava.nbio.structure.chem; - -import org.rcsb.cif.schema.mm.ChemComp; - -public class ChemCompContainer { - private final ChemComp delegate; - - public ChemCompContainer(ChemComp chemComp) { - this.delegate = chemComp; - } - - -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompGroupFactory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompGroupFactory.java deleted file mode 100644 index cad709223f..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompGroupFactory.java +++ /dev/null @@ -1,131 +0,0 @@ -package org.biojava.nbio.structure.chem; - -import org.biojava.nbio.core.util.SoftHashMap; -import org.biojava.nbio.structure.AminoAcid; -import org.biojava.nbio.structure.AminoAcidImpl; -import org.biojava.nbio.structure.Group; -import org.biojava.nbio.structure.HetatomImpl; -import org.biojava.nbio.structure.NucleotideImpl; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.util.Map; - -public class ChemCompGroupFactory { - private static final Logger logger = LoggerFactory.getLogger(ChemCompGroupFactory.class); - private static ChemCompProvider chemCompProvider = new DownloadChemCompProvider(); - private static Map cache = new SoftHashMap<>(0); - - public static ChemComp getChemComp(String recordName) { - recordName = recordName.toUpperCase().trim(); - - // we are using the cache, to avoid hitting the file system too often. - ChemComp chemComp = cache.get(recordName); - if (chemComp != null) { - logger.debug("Chem comp " + chemComp.getThreeLetterCode() + " read from cache"); - return chemComp; - } - - // not cached, get the chem comp from the provider - logger.debug("Chem comp " + recordName + " read from provider " + chemCompProvider.getClass().getCanonicalName()); - chemComp = chemCompProvider.getChemComp(recordName); - - // Note that this also caches null or empty responses - cache.put(recordName, chemComp); - return chemComp; - } - - /** - * The new ChemCompProvider will be set in the static variable, - * so this provider will be used from now on until it is changed - * again. Note that this change can have unexpected behavior of - * code executed afterwards. - *

      - * Changing the provider also resets the cache, so any groups - * previously accessed will be reread or re-downloaded. - * - * @param provider - */ - public static void setChemCompProvider(ChemCompProvider provider) { - logger.debug("Setting new chem comp provider to " + provider.getClass().getCanonicalName()); - chemCompProvider = provider; - // clear cache - cache.clear(); - } - - public static ChemCompProvider getChemCompProvider(){ - return chemCompProvider; - } - - /** - * Force the in-memory cache to be reset. - * - * Note that the ChemCompProvider may have additional memory or disk caches that need to be cleared too. - */ - public static void clearCache() { - cache.clear(); - } - - public static Group getGroupFromChemCompDictionary(String recordName) { - // make sure we work with upper case records - recordName = recordName.toUpperCase().trim(); - ChemComp chemComp = getChemComp(recordName); - Group group; - - if (chemComp == null) { - return null; - } - - PolymerType polymerType = PolymerType.polymerTypeFromString(chemComp.getType()); - if (PolymerType.PROTEIN_ONLY.contains(polymerType)) { - AminoAcid aminoAcid = new AminoAcidImpl(); - - String oneLetterCode = chemComp.getOneLetterCode(); - if (oneLetterCode == null || oneLetterCode.equals("X") || oneLetterCode.equals("?") || oneLetterCode.length() == 0) { - String parent = chemComp.getMonNstdParentCompId(); - if (parent != null && parent.length() == 3) { - String parentId = chemComp.getMonNstdParentCompId(); - ChemComp parentChemComp = getChemComp(parentId); - oneLetterCode = parentChemComp.getOneLetterCode(); - } - } - - if (oneLetterCode == null || oneLetterCode.length() == 0 || oneLetterCode.equals("?")) { - // e.g. problem with PRR, which probably should have a parent of ALA, but as of 20110127 does not. - logger.warn("Problem with chemical component: " + recordName + " Did not find one letter code! Setting it to 'X'"); - aminoAcid.setAminoType('X'); - } else { - aminoAcid.setAminoType(oneLetterCode.charAt(0)); - } - - group = aminoAcid; - } else if (PolymerType.POLYNUCLEOTIDE_ONLY.contains(polymerType)) { - group = new NucleotideImpl(); - } else { - group = new HetatomImpl(); - } - - group.setChemComp(chemComp); - return group; - } - - public static String getOneLetterCode(ChemComp chemComp) { - String oneLetterCode = chemComp.getOneLetterCode(); - if (oneLetterCode == null || oneLetterCode.equals("X") || oneLetterCode.equals("?")) { - String parentId = chemComp.getMonNstdParentCompId(); - if (parentId == null) { - return oneLetterCode; - } - // cases like OIM have multiple parents (comma separated), we shouldn't try grab a chemcomp for those strings - if (parentId.length() > 3) { - return oneLetterCode; - } - ChemComp parentChemComp = ChemCompGroupFactory.getChemComp(parentId); - if (parentChemComp == null) { - return oneLetterCode; - } - oneLetterCode = parentChemComp.getOneLetterCode(); - } - return oneLetterCode; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java deleted file mode 100644 index 936f5ef8cf..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java +++ /dev/null @@ -1,15 +0,0 @@ -package org.biojava.nbio.structure.chem; - -/** - * Interface that is implemented by all classes that can provide {@link ChemComp} definitions. - * @author Andreas Prlic - * @since 3.0 - */ -public interface ChemCompProvider { - /** - * Returns a new instance of a chemical component definition. - * @param recordName the ID of the {@link ChemComp} - * @return a new {@link ChemComp} definition. - */ - ChemComp getChemComp(String recordName); -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java index b24fd5d51a..6b8f74dbd8 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java @@ -1,9 +1,7 @@ package org.biojava.nbio.structure.chem; -import java.util.ArrayList; import java.util.Collections; import java.util.HashMap; -import java.util.List; import java.util.Map; public class ChemCompTools { @@ -96,40 +94,42 @@ public class ChemCompTools { bar.put('U',"DU"); bar.put('T',"DT"); DNA_LOOKUP_1TO2 = Collections.unmodifiableMap(Collections.synchronizedMap(bar)); - - - // initialise standard chemical components - List stdMonIds = new ArrayList<>(); - stdMonIds.addAll(AMINO_ACID_LOOKUP_3TO1.keySet()); - stdMonIds.addAll(DNA_LOOKUP_2TO1.keySet()); } - public static Character getAminoOneLetter(String chemCompId){ + public static Character getAminoOneLetter(String chemCompId) { return AMINO_ACID_LOOKUP_3TO1.get(chemCompId); } - public static Character getDNAOneLetter(String chemCompId){ + public static Character getDNAOneLetter(String chemCompId) { return DNA_LOOKUP_2TO1.get(chemCompId); } - public static String getAminoThreeLetter(Character c){ + public static String getAminoThreeLetter(Character c) { return AMINO_ACID_LOOKUP_1TO3.get(c); } - public static String getDNATwoLetter(Character c){ + public static String getDNATwoLetter(Character c) { return DNA_LOOKUP_1TO2.get(c); } - public static boolean isStandardChemComp(ChemComp cc){ + public static PolymerType getPolymerType(ResidueType residueType) { + if (residueType != null) { + return residueType.polymerType; + } + return null; + } + + public static boolean isStandardChemComp(ChemComp cc) { String pid = cc.getMonNstdParentCompId(); String one = cc.getOneLetterCode(); - PolymerType polymerType = cc.getPolymerType(); + ResidueType residueType = ResidueType.getResidueTypeFromString(cc.getType()); + PolymerType polymerType = getPolymerType(residueType); // standard residues have no parent - if ((pid == null) || (pid.equals("?"))) { + if (pid == null || pid.equals("?")) { // and they have a one letter code - if ((one != null) && (!one.equals("?"))) { + if (one != null && !one.equals("?")) { // peptides and dpeptides must not have X if (polymerType == PolymerType.peptide || polymerType == PolymerType.dpeptide) { return performPeptideCheck(cc, one); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java index 2f48e612d7..63b38ed2e2 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java @@ -3,15 +3,23 @@ import java.util.HashMap; import java.util.Map; +/** + * A representation of the Chemical Component Dictionary. + * + * @author Andreas Prlic + * @since 1.7 + * @see link into mmCIF dictionary + * + */ public class ChemicalComponentDictionary { - private final Map dictionary; - private final Map replaces; - private final Map isReplacedBy; - - public ChemicalComponentDictionary() { - this.dictionary = new HashMap<>(); - this.replaces = new HashMap<>(); - this.isReplacedBy = new HashMap<>(); + private Map dictionary; + private Map replaces; + private Map isReplacedBy; + + public ChemicalComponentDictionary(){ + dictionary = new HashMap<>(); + replaces = new HashMap<>(); + isReplacedBy = new HashMap<>(); } public boolean isReplaced(ChemComp c) { @@ -22,7 +30,7 @@ public boolean isReplaced(String id) { return isReplacedBy.containsKey(id); } - public boolean isReplacer(ChemComp c){ + public boolean isReplacer(ChemComp c) { return isReplacer(c.getId()); } @@ -30,27 +38,27 @@ public boolean isReplacer(String id) { return replaces.containsKey(id); } - /** if ChemComp is replaced by another one, get the newer version - * otherwise return the same ChemComp again. + /** + * If ChemComp is replaced by another one, get the newer version otherwise return the same ChemComp again. * @param c * @return get the component that replaced ChemComp. */ - public ChemComp getReplacer(ChemComp c){ + public ChemComp getReplacer(ChemComp c) { return getReplacer(c.getId()); } - public ChemComp getReplacer(String id){ + public ChemComp getReplacer(String id) { if (isReplaced(id)) { return dictionary.get(isReplacedBy.get(id)); } return dictionary.get(id); } - /** if ChemComp is replacing another one, get the old version - * otherwise return the same ChemComp again. + /** + * If ChemComp is replacing another one, get the old version otherwise return the same ChemComp again. * @param c the ChemComp for which older versions should be looked up. */ - public ChemComp getReplaced(ChemComp c){ + public ChemComp getReplaced(ChemComp c) { return getReplaced(c.getId()); } @@ -78,15 +86,15 @@ public ChemComp getParent(ChemComp c) { * @param comp */ public void addChemComp(ChemComp comp) { - dictionary.put(comp.getId(), comp); + dictionary.put(comp.getId(),comp); String rep = comp.getPdbxReplaces(); if (rep != null && !rep.equals("?")) { - replaces.put(comp.getId(), rep); + replaces.put(comp.getId(),rep); } - String isRep = comp.getPdbxReplacedBy(); - if (isRep != null && !isRep.equals("?")) { - isReplacedBy.put(comp.getId(), isRep); + String isrep = comp.getPdbxReplacedBy(); + if (isrep != null && !isrep.equals("?")) { + isReplacedBy.put(comp.getId(), isrep); } } @@ -94,11 +102,11 @@ public void addChemComp(ChemComp comp) { * Returns the number of ChemComps in this dictionary * @return nr. of ChemComps */ - public int size(){ + public int size() { return dictionary.size(); } - public ChemComp getChemComp(String id){ + public ChemComp getChemComp(String id) { return dictionary.get(id); } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java deleted file mode 100644 index 5b52bcab52..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java +++ /dev/null @@ -1,420 +0,0 @@ -package org.biojava.nbio.structure.chem; - -import org.biojava.nbio.core.util.InputStreamProvider; -import org.biojava.nbio.structure.align.util.URLConnectionTools; -import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.io.LocalPDBDirectory; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.io.BufferedReader; -import java.io.File; -import java.io.FileOutputStream; -import java.io.FilenameFilter; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; -import java.io.PrintWriter; -import java.io.StringWriter; -import java.net.URL; -import java.net.URLConnection; -import java.nio.file.Files; -import java.nio.file.Paths; -import java.nio.file.StandardCopyOption; -import java.util.ArrayList; -import java.util.List; -import java.util.concurrent.atomic.AtomicBoolean; -import java.util.zip.GZIPOutputStream; - -/** - * This provider of chemical components can download and cache chemical component definition files from the RCSB PDB web - * site. It is the default way to access these definitions. If this provider is called he first time, it will download - * and install all chemical component definitions in a local directory. Once the definition files have been installed, - * it has quick startup time and low memory requirements. - * - * An alternative provider, that keeps all definitions in memory is the {@link AllChemCompProvider}. Another provider, - * that does not require any network access, but only can support a limited set of chemical component definitions, is - * the {@link ReducedChemCompProvider}. - * - * @author Andreas Prlic - */ -public class DownloadChemCompProvider implements ChemCompProvider { - private static final Logger logger = LoggerFactory.getLogger(DownloadChemCompProvider.class); - public static final String CHEM_COMP_CACHE_DIRECTORY = "chemcomp"; - public static final String DEFAULT_SERVER_URL = "http://files.rcsb.org/ligands/download/"; - public static String serverBaseUrl = DEFAULT_SERVER_URL; - - /** - * Use default RCSB server layout (true) or internal RCSB server layout (false) - */ - public static boolean useDefaultUrlLayout = true; - - private static File path; - private static final String NEWLINE = System.getProperty("line.separator"); - - // flags to make sure there is only one thread running that is loading the dictionary - static AtomicBoolean loading = new AtomicBoolean(false); - - static final List protectedIDs = new ArrayList<>(); - static { - protectedIDs.add("CON"); - protectedIDs.add("PRN"); - protectedIDs.add("AUX"); - protectedIDs.add("NUL"); - } - - private static ChemCompProvider fallback = null; // Fallback provider if the download fails - /** - * by default we will download only some of the files. User has to request that all files should be downloaded... - */ - boolean downloadAll = false; - - public DownloadChemCompProvider() { - this(null); - } - - public DownloadChemCompProvider(String cacheFilePath) { - logger.debug("Initialising DownloadChemCompProvider"); - - // note that path is static, so this is just to make sure that all non-static methods will have path initialised - if (cacheFilePath != null) { - path = new File(cacheFilePath); - } - } - - /** - * Get this provider's cache path - * @return - */ - public static File getPath(){ - if (path == null) { - UserConfiguration config = new UserConfiguration(); - path = new File(config.getCacheFilePath()); - } - return path; - } - - /** - * Checks if the chemical components already have been installed into the PDB directory. - * If not, will download the chemical components definitions file and split it up into small - * subfiles. - */ - public void checkDoFirstInstall(){ - if (!downloadAll) { - return; - } - - // this makes sure there is a file separator between every component, - // if path has a trailing file separator or not, it will work for both cases - File dir = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); - File f = new File(dir, "components.cif.gz"); - - if (!f.exists()) { - downloadAllDefinitions(); - } else { - // file exists.. did it get extracted? - FilenameFilter filter = (dir1, file) -> file.endsWith(".cif.gz"); - String[] files = dir.list(filter); - if (files.length < 500) { - // not all did get unpacked - try { - split(); - } catch (IOException e) { - logger.error("Could not split file {} into individual chemical component files. Error: {}", - f.toString(), e.getMessage()); - } - } - } - } - - private void split() throws IOException { - logger.info("Installing individual chem comp files ..."); - - File dir = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); - File f = new File(dir, "components.cif.gz"); - - int counter = 0; - InputStreamProvider prov = new InputStreamProvider(); - - try (BufferedReader buf = new BufferedReader(new InputStreamReader(prov.getInputStream(f)))) { - String line; - line = buf.readLine(); - StringWriter writer = new StringWriter(); - - String currentID = null; - while (line != null) { - if (line.startsWith("data_")) { - // a new record found! - if (currentID != null) { - writeID(writer.toString(), currentID); - counter++; - } - - currentID = line.substring(5); - writer = new StringWriter(); - } - - writer.append(line); - writer.append(NEWLINE); - - line = buf.readLine (); - } - - // write the last record... - writeID(writer.toString(), currentID); - counter++; - } - - logger.info("Created " + counter + " chemical component files."); - } - - /** - * Output chemical contents to a file - * @param contents File contents - * @param currentID Chemical ID, used to determine the filename - * @throws IOException - */ - private void writeID(String contents, String currentID) throws IOException { - String localName = getLocalFileName(currentID); - - try (PrintWriter pw = new PrintWriter(new GZIPOutputStream(new FileOutputStream(localName)))) { - pw.print(contents); - pw.flush(); - } - } - - /** - * Loads the definitions for this {@link ChemComp} from a local file and instantiates a new object. - * - * @param recordName the ID of the {@link ChemComp} - * @return a new {@link ChemComp} definition. - */ - @Override - public ChemComp getChemComp(String recordName) { - // make sure we work with upper case records - recordName = recordName.toUpperCase().trim(); - - boolean haveFile = true; - if (recordName.equals("?")) { - return null; - } - - if (fileIsAbsent(recordName)) { - // check if we should install all components - checkDoFirstInstall(); - } - if (fileIsAbsent(recordName)) { - // we previously have installed already the definitions, - // just do an incrememntal update - haveFile = downloadChemCompRecord(recordName); - } - - // Added check that download was successful and chemical component is available. - if (haveFile) { - String filename = getLocalFileName(recordName); - InputStream inStream = null; - try { - InputStreamProvider isp = new InputStreamProvider(); - inStream = isp.getInputStream(filename); - - MMcifParser parser = new SimpleMMcifParser(); - ChemCompConsumer consumer = new ChemCompConsumer(); - - // The Consumer builds up the BioJava - structure object. - // you could also hook in your own and build up you own data model. - parser.addMMcifConsumer(consumer); - parser.parse(new BufferedReader(new InputStreamReader(inStream))); - - ChemicalComponentDictionary dict = consumer.getDictionary(); - ChemComp chemComp = dict.getChemComp(recordName); - - // May be null if the file was corrupt. Fall back on ReducedChemCompProvider in that case - if (chemComp != null) { - return chemComp; - } - } catch (IOException e) { - logger.warn("Could not download chemical component file {} for {}. Error: {}. Now trying to use the " + - "local chemical component definitions.", - filename, recordName, e.getMessage()); - } finally { - // Now close it - if (inStream != null) { - try { - inStream.close(); - } catch (IOException e) { - // This would be weird... - logger.error("Could not close chemical component file {}. A resource leak could occur!!", filename); - } - } - } - } - - // see https://github.com/biojava/biojava/issues/315 - // probably a network error happened. Try to use the ReducedChemCOmpProvider - if (fallback == null) { - fallback = new ReducedChemCompProvider(); - } - - logger.warn("Falling back to ReducedChemCompProvider for {}. This could indicate a network error.", recordName); - return fallback.getChemComp(recordName); - - } - - /** - * Returns the file name that contains the definition for this {@link ChemComp} - * - * @param recordName the ID of the {@link ChemComp} - * @return full path to the file - */ - public static String getLocalFileName(String recordName) { - if (protectedIDs.contains(recordName)) { - recordName = "_" + recordName; - } - - File f = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); - if (!f.exists()) { - logger.info("Creating directory " + f); - boolean success = f.mkdir(); - // we've checked in initPath that path is writable, so there's no need to check if it succeeds - // in the unlikely case that in the meantime it isn't writable at least we log an error - if (!success) { - logger.error("Directory {} could not be created", f); - } - } - - File theFile = new File(f,recordName + ".cif.gz"); - return theFile.toString(); - } - - private static boolean fileIsAbsent(String recordName){ - String fileName = getLocalFileName(recordName); - File f = new File(fileName); - - // delete files that are too short to have contents - if (f.length() < LocalPDBDirectory.MIN_PDB_FILE_SIZE) { - // Delete defensively. - // Note that if delete is unsuccessful, we re-download the file anyways - f.delete(); - return true; - } - - return !f.exists(); - } - - /** - * @param recordName three-letter name - * @return true if successful download - */ - private static boolean downloadChemCompRecord(String recordName) { - String localName = getLocalFileName(recordName); - File newFile; - try { - newFile = File.createTempFile("chemcomp" + recordName, "cif"); - logger.debug("Will write chem comp file to temp file {}", newFile.toString()); - } catch (IOException e) { - logger.error("Could not write to temp directory {} to create the chemical component download temp file", - System.getProperty("java.io.tmpdir")); - return false; - } - String u; - if (useDefaultUrlLayout) { - u = serverBaseUrl + recordName + ".cif"; - } else { - u = serverBaseUrl + recordName.charAt(0) + "/" + recordName +"/" + recordName + ".cif"; - } - - logger.debug("downloading " + u); - URL url = null; - try { - url = new URL(u); - URLConnection uconn = URLConnectionTools.openURLConnection(url); - - try (PrintWriter pw = new PrintWriter(new GZIPOutputStream(new FileOutputStream(newFile))); - BufferedReader fileBuffer = new BufferedReader(new InputStreamReader(uconn.getInputStream()))) { - - String line; - while ((line = fileBuffer.readLine()) != null) { - pw.println(line); - } - pw.flush(); - } - // Now we move this across to where it actually wants to be - Files.move(newFile.toPath(), Paths.get(localName), StandardCopyOption.REPLACE_EXISTING); - - return true; - } catch (IOException e) { - logger.error("Could not download " + url.toString() + " OR store locally to " + localName + " Error =" + e.getMessage()); - newFile.delete(); - } - return false; - } - - private void downloadAllDefinitions() { - if (loading.get()) { - logger.info("Waiting for other thread to install chemical components..."); - } - - while (loading.get()) { - // another thread is already downloading the components definitions - // wait for the other thread to finish... - try { - // wait half a second - Thread.sleep(500); - } catch (InterruptedException e) { - //e.printStackTrace(); - logger.error("Thread interrupted "+e.getMessage()); - } - - logger.info("Another thread installed the chemical components."); - return; - } - - loading.set(true); - long timeS = System.currentTimeMillis(); - - logger.info("Performing first installation of chemical components."); - logger.info("Downloading components.cif.gz ..."); - - try { - AllChemCompProvider.downloadFile(); - } catch (IOException e) { - logger.error("Could not download the all chemical components file. Error: {}. " - + "Chemical components information won't be available", e.getMessage()); - // no point in trying to split if the file could not be downloaded - loading.set(false); - return; - } - - try { - split(); - } catch (IOException e) { - logger.error("Could not split all chem comp file into individual chemical component files. Error: {}", - e.getMessage()); - // no point in reporting time - loading.set(false); - return; - } - - long timeE = System.currentTimeMillis(); - logger.info("time to install chem comp dictionary: " + (timeE - timeS) / 1000 + " sec."); - loading.set(false); - } - - /** - * By default this provider will download only some of the {@link ChemComp} files. - * The user has to request that all files should be downloaded by setting this parameter to true. - * @return flag if the all components should be downloaded and installed at startup. (default: false) - */ - public boolean isDownloadAll() { - return downloadAll; - } - - /** - * By default this provider will download only some of the {@link ChemComp} files. - * The user has to request that all files should be downloaded by setting this parameter to true. - * @param downloadAll if the all components should be downloaded and installed at startup. (default: false) - */ - public void setDownloadAll(boolean downloadAll) { - this.downloadAll = downloadAll; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java deleted file mode 100644 index 9841fdc161..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java +++ /dev/null @@ -1,56 +0,0 @@ -package org.biojava.nbio.structure.chem; - -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -import java.io.BufferedReader; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; -import java.util.zip.GZIPInputStream; - -/** - * Unlike the {@link DownloadChemCompProvider}, this {@link ChemCompProvider} does not download any chem comp - * definitions. It has access to a limited set of files that are part of the biojava distribution. - * @author Andreas Prlic - * @since 3.0 - */ -public class ReducedChemCompProvider implements ChemCompProvider { - private static final Logger logger = LoggerFactory.getLogger(ReducedChemCompProvider.class); - - public ReducedChemCompProvider(){ - logger.debug("Initialising ReducedChemCompProvider"); - } - - @Override - public ChemComp getChemComp(String recordName) { - String name = recordName.toUpperCase().trim(); - try (InputStream inStream = this.getClass().getResourceAsStream("/chemcomp/" + name + ".cif.gz")) { - logger.debug("Reading chemcomp/{}.cif.gz", name); - - if (inStream == null) { - // could not find the chem comp definition for this in the jar file - logger.debug("Getting empty chem comp for {}", name); - ChemComp cc = ChemComp.getEmptyChemComp(); - cc.setId(name); - return cc; - } - - MMcifParser parser = new SimpleMMcifParser(); - ChemCompConsumer consumer = new ChemCompConsumer(); - // The Consumer builds up the BioJava - structure object. - // you could also hook in your own and build up you own data model. - parser.addMMcifConsumer(consumer); - parser.parse(new BufferedReader(new InputStreamReader(new GZIPInputStream(inStream)))); - - ChemicalComponentDictionary dict = consumer.getDictionary(); - return dict.getChemComp(name); - } catch (IOException e){ - logger.error("IOException caught while reading chem comp {}.", name, e); - } - logger.warn("Problem when loading chem comp {}, will use an empty chem comp for it", name); - ChemComp cc = ChemComp.getEmptyChemComp(); - cc.setId(name); - return cc; - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java index aee22b0767..df077cde9b 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java @@ -23,6 +23,8 @@ package org.biojava.nbio.structure.io; import org.biojava.nbio.structure.*; +import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.ChemCompBond; import org.biojava.nbio.structure.io.util.PDBTemporaryStorageUtils.LinkRecord; import org.rcsb.cif.model.ValueKind; import org.rcsb.cif.schema.mm.StructConn; @@ -177,8 +179,8 @@ private void formIntraResidueBonds() { for (ChemCompBond chemCompBond : aminoChemComp.getBonds()) { // note we don't check distance to make this call not too expensive - formBondAltlocAware(group, chemCompBond.getAtom_id_1(), - group, chemCompBond.getAtom_id_2(), -1, chemCompBond.getNumericalBondOrder()); + formBondAltlocAware(group, chemCompBond.getAtomId1(), + group, chemCompBond.getAtomId2(), -1, chemCompBond.getNumericalBondOrder()); } } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/ChargeAdder.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/ChargeAdder.java index 28fbddb9a9..311414f9da 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/ChargeAdder.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/ChargeAdder.java @@ -28,19 +28,17 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.ChemCompAtom; import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; -import org.biojava.nbio.structure.io.mmcif.model.ChemCompAtom; import org.slf4j.Logger; import org.slf4j.LoggerFactory; /** * A class to add appropriate charge information to a structure. * @author Anthony Bradley - * */ public class ChargeAdder { - private static final Logger logger = LoggerFactory.getLogger(ChargeAdder.class); /** @@ -48,44 +46,44 @@ public class ChargeAdder { */ public static void addCharges(Structure structure) { // Loop through the models - for(int i=0; i chemAtoms = thisChemComp.getAtoms(); - for(ChemCompAtom chemCompAtom : chemAtoms) { - Atom atom = g.getAtom(chemCompAtom.getAtom_id()); + for (ChemCompAtom chemCompAtom : chemAtoms) { + Atom atom = g.getAtom(chemCompAtom.getAtomId()); String stringCharge = chemCompAtom.getCharge(); short shortCharge = 0; - if (stringCharge!=null){ - if(!stringCharge.equals("?")){ - try{ + if (stringCharge != null) { + if (!stringCharge.equals("?")) { + try { shortCharge = Short.parseShort(stringCharge); + } catch(NumberFormatException e) { + logger.warn("Number format exception. Parsing '{}' to short", stringCharge); } - catch(NumberFormatException e){ - logger.warn("Number format exception. Parsing '"+stringCharge+"' to short"); - } + } else { + logger.warn("? charge on atom {} in group {}", + chemCompAtom.getAtomId(), + thisChemComp.getId()); } - else{ - logger.warn("? charge on atom "+chemCompAtom.getAtom_id()+" in group "+thisChemComp.getId()); - } - } - else{ - logger.warn("Null charge on atom "+chemCompAtom.getAtom_id()+" in group "+thisChemComp.getId()); + } else { + logger.warn("Null charge on atom {} in group {}", + chemCompAtom.getAtomId(), + thisChemComp.getId()); } - if(atom!=null){ + if (atom != null) { atom.setCharge(shortCharge); } // Now do the same for alt locs for (Group altLoc : g.getAltLocs()) { - Atom altAtom = altLoc.getAtom(chemCompAtom.getAtom_id()); - if(altAtom!=null){ + Atom altAtom = altLoc.getAtom(chemCompAtom.getAtomId()); + if (altAtom != null) { altAtom.setCharge(shortCharge); } } } } - } } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java index 7cb62beffc..d6da021e63 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java @@ -593,10 +593,7 @@ else if (name.length()==1) public String toMMCIF() { - return CifFileConverter.toText(this.structure); } - - public static String toMMCIF(Chain chain, String authId, String asymId) { - return CifFileConverter.toText(chain, authId, asymId); + return CifFileConverter.toText(this.structure); } public static String toMMCIF(Chain chain) { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java index 41014e1ec4..6200c90b1a 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java @@ -69,8 +69,8 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; +import org.biojava.nbio.structure.chem.ChemCompAtom; import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.model.ChemCompAtom; import org.biojava.nbio.structure.io.util.PDBTemporaryStorageUtils.LinkRecord; import org.biojava.nbio.structure.secstruc.SecStrucInfo; import org.biojava.nbio.structure.secstruc.SecStrucType; @@ -1878,8 +1878,8 @@ private void pdb_ATOM_Handler(String line) { String elementSymbol = null; if (currentGroup.getChemComp() != null) { for (ChemCompAtom a : currentGroup.getChemComp().getAtoms()) { - if (a.getAtom_id().equals(fullname.trim())) { - elementSymbol = a.getType_symbol(); + if (a.getAtomId().equals(fullname.trim())) { + elementSymbol = a.getTypeSymbol(); break; } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/SeqRes2AtomAligner.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/SeqRes2AtomAligner.java index 580a8af158..0d677a4161 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/SeqRes2AtomAligner.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/SeqRes2AtomAligner.java @@ -60,9 +60,9 @@ import org.biojava.nbio.structure.NucleotideImpl; import org.biojava.nbio.structure.ResidueNumber; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.chem.ResidueType; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; +import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.PolymerType; +import org.biojava.nbio.structure.chem.ResidueType; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -410,7 +410,7 @@ public static String getFullAtomSequence(List groups, Map { - void consumeChemCompAtom(ChemCompAtom chemCompAtom); - - void consumeChemCompBond(ChemCompBond chemCompBond); - - void consumePdbxChemCompDescriptor(PdbxChemCompDescriptor pdbxChemCompDescriptor); -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java deleted file mode 100644 index f97a89d271..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java +++ /dev/null @@ -1,70 +0,0 @@ -package org.biojava.nbio.structure.io.cif; - -import org.biojava.nbio.structure.chem.ChemComp; -import org.biojava.nbio.structure.chem.ChemicalComponentDictionary; -import org.biojava.nbio.structure.chem.ResidueType; -import org.rcsb.cif.schema.mm.ChemCompAtom; -import org.rcsb.cif.schema.mm.ChemCompBond; -import org.rcsb.cif.schema.mm.PdbxChemCompDescriptor; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; - -public class ChemCompConsumerImpl implements ChemCompConsumer { - private static final Logger logger = LoggerFactory.getLogger(ChemCompConsumerImpl.class); - private ChemicalComponentDictionary dictionary; - private String latestChemCompId; - - public ChemCompConsumerImpl(){ - dictionary = new ChemicalComponentDictionary(); - } - - @Override - public void prepare() { - - } - - public ChemicalComponentDictionary getDictionary(){ - return dictionary; - } - - @Override - public void consumeChemCompAtom(ChemCompAtom chemCompAtom) { - dictionary.getChemComp(latestChemCompId).getAtoms().add(chemCompAtom); - } - - @Override - public void consumeChemCompBond(ChemCompBond chemCompBond) { - dictionary.getChemComp(latestChemCompId).getBonds().add(chemCompBond); - } - - @Override - public void consumePdbxChemCompDescriptor(PdbxChemCompDescriptor pdbxChemCompDescriptor) { - ChemComp cc = dictionary.getChemComp(latestChemCompId); - cc.getDescriptors().add(pdbxChemCompDescriptor); - } - - @Override - public void finish() { - - } - - @Override - public ChemComp getContainer() { - if (c.getId() == null) - logger.warn("chem comp ID == null " + c); - - latestChemCompId = c.getId(); - dictionary.addChemComp(c); - if (c.getResidueType() == ResidueType.nonPolymer) { - return; - } - - if (c.getResidueType() == ResidueType.saccharide) { - return; - } - - if (c.getResidueType() == ResidueType.dSaccharide) { - return; - } - } -} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java index 198f288305..d95f7b9422 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java @@ -1,53 +1,5 @@ package org.biojava.nbio.structure.io.cif; -import org.biojava.nbio.structure.chem.ChemCompAtom; -import org.biojava.nbio.structure.chem.ChemCompDescriptor; -import org.rcsb.cif.schema.mm.AtomSite; -import org.rcsb.cif.schema.mm.AtomSites; -import org.rcsb.cif.schema.mm.AuditAuthor; -import org.rcsb.cif.schema.mm.Cell; -import org.rcsb.cif.schema.mm.ChemComp; -import org.rcsb.cif.schema.mm.ChemCompBond; -import org.rcsb.cif.schema.mm.DatabasePDBRemark; -import org.rcsb.cif.schema.mm.DatabasePDBRev; -import org.rcsb.cif.schema.mm.DatabasePDBRevRecord; -import org.rcsb.cif.schema.mm.Entity; -import org.rcsb.cif.schema.mm.EntityPoly; -import org.rcsb.cif.schema.mm.EntityPolySeq; -import org.rcsb.cif.schema.mm.EntitySrcGen; -import org.rcsb.cif.schema.mm.EntitySrcNat; -import org.rcsb.cif.schema.mm.Exptl; -import org.rcsb.cif.schema.mm.PdbxAuditRevisionHistory; -import org.rcsb.cif.schema.mm.PdbxChemCompIdentifier; -import org.rcsb.cif.schema.mm.PdbxDatabaseStatus; -import org.rcsb.cif.schema.mm.PdbxEntityBranchDescriptor; -import org.rcsb.cif.schema.mm.PdbxEntitySrcSyn; -import org.rcsb.cif.schema.mm.PdbxMolecule; -import org.rcsb.cif.schema.mm.PdbxMoleculeFeatures; -import org.rcsb.cif.schema.mm.PdbxNonpolyScheme; -import org.rcsb.cif.schema.mm.PdbxReferenceEntityLink; -import org.rcsb.cif.schema.mm.PdbxReferenceEntityList; -import org.rcsb.cif.schema.mm.PdbxReferenceEntityPolyLink; -import org.rcsb.cif.schema.mm.PdbxStructAssembly; -import org.rcsb.cif.schema.mm.PdbxStructAssemblyGen; -import org.rcsb.cif.schema.mm.PdbxStructModResidue; -import org.rcsb.cif.schema.mm.PdbxStructOperList; -import org.rcsb.cif.schema.mm.Refine; -import org.rcsb.cif.schema.mm.Struct; -import org.rcsb.cif.schema.mm.StructAsym; -import org.rcsb.cif.schema.mm.StructConf; -import org.rcsb.cif.schema.mm.StructConn; -import org.rcsb.cif.schema.mm.StructConnType; -import org.rcsb.cif.schema.mm.StructKeywords; -import org.rcsb.cif.schema.mm.StructNcsOper; -import org.rcsb.cif.schema.mm.StructRef; -import org.rcsb.cif.schema.mm.StructRefSeq; -import org.rcsb.cif.schema.mm.StructRefSeqDif; -import org.rcsb.cif.schema.mm.StructSheetRange; -import org.rcsb.cif.schema.mm.StructSite; -import org.rcsb.cif.schema.mm.StructSiteGen; -import org.rcsb.cif.schema.mm.Symmetry; - /** * Defines a rather generic interface which allows to populate some data structure with data parsed from a CIF file. * diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java index 30e5682b69..2a53746297 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java @@ -226,7 +226,7 @@ public static String toText(Chain chain) { * @return the target */ public static CifFile toCifFile(Structure structure) { - return new AbstractCifFileSupplier().getStructure(structure); + return new StructureSupplierImpl().get(structure); } /** @@ -235,6 +235,6 @@ public static CifFile toCifFile(Structure structure) { * @return the target */ public static CifFile toCifFile(Chain chain) { - return new AbstractCifFileSupplier().getChain(chain); + return new ChainSupplierImpl().get(chain); } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java index d858536847..6a952029ee 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java @@ -24,7 +24,6 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; -import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.io.BondMaker; import org.biojava.nbio.structure.io.ChargeAdder; import org.biojava.nbio.structure.io.EntityFinder; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java index 09d8ca58a8..bc5c93cb2c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java @@ -50,9 +50,9 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.chem.ResidueType; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; +import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.PolymerType; +import org.biojava.nbio.structure.chem.ResidueType; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; import org.biojava.nbio.structure.xtal.CrystalCell; @@ -69,7 +69,7 @@ * * @author Anthony Bradley * @since 5.0 - * + * */ public class MmtfStructureReader implements StructureAdapterInterface, Serializable { @@ -234,7 +234,7 @@ public void setGroupInfo(String groupName, int groupNumber, } atomsInGroup = new ArrayList<>(); ChemComp chemComp = new ChemComp(); - chemComp.setOne_letter_code(String.valueOf(singleLetterCode)); + chemComp.setOneLetterCode(String.valueOf(singleLetterCode)); chemComp.setType(chemCompType.toUpperCase()); chemComp.setResidueType(residueType); chemComp.setPolymerType(residueType.polymerType); @@ -333,14 +333,14 @@ public void setAtomInfo(String atomName, */ @Override public void setGroupBond(int indOne, int indTwo, int bondOrder) { - + // Get the atoms Atom atomOne = atomsInGroup.get(indOne); Atom atomTwo = atomsInGroup.get(indTwo); - + // set the new bond new BondImpl(atomOne, atomTwo, bondOrder); - + } /* (non-Javadoc) @@ -349,12 +349,12 @@ public void setGroupBond(int indOne, int indTwo, int bondOrder) { */ @Override public void setInterGroupBond(int indOne, int indTwo, int bondOrder) { - + // Get the atoms Atom atomOne = allAtoms[indOne]; Atom atomTwo = allAtoms[indTwo]; - - // set the new bond (this + + // set the new bond (this new BondImpl(atomOne, atomTwo, bondOrder); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java index 47e4fb3d69..c55e67da30 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureWriter.java @@ -33,7 +33,7 @@ import org.biojava.nbio.structure.PDBCrystallographicInfo; import org.biojava.nbio.structure.PDBHeader; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; +import org.biojava.nbio.structure.chem.ChemComp; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.rcsb.mmtf.api.StructureAdapterInterface; import org.rcsb.mmtf.dataholders.MmtfStructure; @@ -43,7 +43,7 @@ /** * Class to take Biojava structure data and covert to the DataApi for encoding. * Must implement all the functions in {@link StructureAdapterInterface}. - * + * * @author Anthony Bradley * @since 5.0 * @@ -103,8 +103,8 @@ public MmtfStructureWriter(Structure structure, StructureAdapterInterface dataTr insCode=MmtfStructure.UNAVAILABLE_CHAR_VALUE; } char singleLetterCode = 'X'; - if (chemComp.getOne_letter_code().length()==1){ - singleLetterCode = chemComp.getOne_letter_code().charAt(0); + if (chemComp.getOneLetterCode().length()==1){ + singleLetterCode = chemComp.getOneLetterCode().charAt(0); } mmtfDecoderInterface.setGroupInfo(group.getPDBName(), group.getResidueNumber().getSeqNum(), insCode.charValue(), chemComp.getType().toUpperCase(), atomsInGroup.size(), MmtfUtils.getNumBondsInGroup(atomsInGroup), singleLetterCode, diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index bbd34c9610..0a6cd9739c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -47,11 +47,11 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.ChemCompTools; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.chem.ChemCompTools; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; import org.biojava.nbio.structure.secstruc.DSSPParser; @@ -499,12 +499,12 @@ public static void insertSeqResGroup(Chain chain, Group group, int sequenceIndex * @param sequence the sequence of the construct */ public static void addSeqRes(Chain modelChain, String sequence) { - + List seqResGroups = modelChain.getSeqResGroups(); GroupType chainType = getChainType(modelChain.getAtomGroups()); - + for(int i=0; i i) { @@ -513,7 +513,7 @@ public static void addSeqRes(Chain modelChain, String sequence) { if(group!=null){ continue; } - + group = getSeqResGroup(singleLetterCode, chainType); addGroupAtId(seqResGroups, group, i); } From 1b164a99720e8b48c928883bb2d471dd994ea46e Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Wed, 20 Jan 2021 15:35:47 -0800 Subject: [PATCH 239/821] compiling --- .../nbio/structure/test/MMcifTest.java | 295 ------------- .../structure/test/StructureToolsTest.java | 6 +- .../biojava/nbio/structure/test/Test1a4w.java | 17 +- .../cif/CifFileSupplierIntegrationTest.java | 10 +- .../nbio/protmod/structure/StructureUtil.java | 18 +- .../src/main/java/demo/DemoCE.java | 4 +- .../structure/gui/util/PDBUploadPanel.java | 3 +- .../main/java/demo/ChemCompDistribution.java | 5 +- .../java/demo/DemoChangeChemCompProvider.java | 4 + .../java/demo/DemoMmcifToPdbConverter.java | 11 +- .../org/biojava/nbio/structure/ChainImpl.java | 1 + .../biojava/nbio/structure/HetatomImpl.java | 7 +- .../biojava/nbio/structure/URLIdentifier.java | 4 +- .../structure/chem/AllChemCompProvider.java | 167 ++++++++ .../biojava/nbio/structure/chem/ChemComp.java | 12 +- .../nbio/structure/chem/ChemCompAtom.java | 54 +-- .../nbio/structure/chem/ChemCompBond.java | 6 +- .../structure/chem/ChemCompGroupFactory.java | 129 ++++++ .../nbio/structure/chem/ChemCompProvider.java | 15 + .../nbio/structure/chem/ChemCompTools.java | 24 +- .../chem/ChemicalComponentDictionary.java | 6 +- .../chem/DownloadChemCompProvider.java | 403 ++++++++++++++++++ .../structure/chem/MetalBondDistance.java | 56 +++ .../chem/ReducedChemCompProvider.java | 58 +++ .../structure/chem/ZipChemCompProvider.java | 275 ++++++++++++ .../structure/contact/StructureInterface.java | 69 +-- .../nbio/structure/io/BcifFileReader.java | 4 +- .../biojava/nbio/structure/io/BondMaker.java | 1 + .../nbio/structure/io/ChargeAdder.java | 22 +- .../nbio/structure/io/CifFileReader.java | 4 +- .../nbio/structure/io/FileConvert.java | 6 +- .../nbio/structure/io/PDBFileParser.java | 4 +- .../structure/io/cif/ChemCompConsumer.java | 16 + .../io/cif/ChemCompConsumerImpl.java | 108 +++++ .../structure/io/cif/ChemCompConverter.java | 79 ++++ .../structure/io/cif/MetalBondConsumer.java | 11 + .../io/cif/MetalBondConsumerImpl.java | 55 +++ .../structure/io/cif/MetalBondConverter.java | 60 +++ .../io/cif/StructureConsumerImpl.java | 1 + ...Converter.java => StructureConverter.java} | 8 +- .../nbio/structure/io/mmtf/MmtfUtils.java | 4 +- .../biojava/nbio/structure/ChemCompTest.java | 24 +- .../nbio/structure/PdbFileFormat30Test.java | 4 +- .../org/biojava/nbio/structure/Test4hhb.java | 12 +- .../biojava/nbio/structure/TestAltLocs.java | 72 +--- .../biojava/nbio/structure/TestAtomCache.java | 3 +- .../org/biojava/nbio/structure/TestBond.java | 4 +- .../TestDownloadChemCompProvider.java | 4 +- .../nbio/structure/TestNucleotides.java | 8 +- .../structure/align/util/AtomCacheTest.java | 9 +- .../nbio/structure/asa/TestAsaCalc.java | 6 +- .../structure/io/TestDifficultMmCIFFiles.java | 18 +- .../nbio/structure/io/TestHeaderOnly.java | 18 +- .../nbio/structure/io/TestMMCIFWriting.java | 61 +-- .../structure/io/TestMmCIFSpecialCases.java | 82 ---- .../structure/io/TestNonDepositedFiles.java | 37 +- .../structure/io/TestParseMmCIFLigands.java | 6 +- .../io/mmcif/TestChemCompProvider.java | 2 + .../io/mmcif/TestEntityNameAndType.java | 2 + .../structure/io/mmtf/TestBondFinding.java | 4 +- .../structure/io/mmtf/TestMmtfRoundTrip.java | 26 +- .../io/mmtf/TestMmtfStructureReader.java | 36 +- .../io/mmtf/TestMmtfStructureWriter.java | 4 +- .../structure/redmine/Test1DARSeqAlign.java | 8 +- .../structure/test/util/GlobalsHelper.java | 6 +- 65 files changed, 1689 insertions(+), 809 deletions(-) delete mode 100644 biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/MMcifTest.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompGroupFactory.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/MetalBondDistance.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ZipChemCompProvider.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumer.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConverter.java rename biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/{CifFileConverter.java => StructureConverter.java} (97%) delete mode 100644 biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMmCIFSpecialCases.java diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/MMcifTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/MMcifTest.java deleted file mode 100644 index 4947e0077a..0000000000 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/MMcifTest.java +++ /dev/null @@ -1,295 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Apr 26, 2008 - */ -package org.biojava.nbio.structure.test; - -import org.biojava.nbio.structure.*; -import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.PDBFileParser; -import org.biojava.nbio.structure.io.mmcif.MMcifParser; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; -import org.junit.Test; -import static org.junit.Assert.*; - -import java.io.BufferedReader; -import java.io.IOException; -import java.io.InputStream; -import java.io.InputStreamReader; -import java.util.List; - -public class MMcifTest { - - private static boolean headerOnly; - - @Test - public void testLoad() throws IOException { - - headerOnly = false; - - doTestLoad(); - - } - - @Test - public void testLoadHeaderOnly() throws IOException { - - headerOnly = true; - - doTestLoad(); - - } - - private void doTestLoad() throws IOException { - // a structure with microheterogeneity - //comparePDB2cif("2CI1","A"); - - // test a simple protein - comparePDB2cif("5pti","A"); - - // test a protein with modified residues - comparePDB2cif("1a4w","L"); - comparePDB2cif("1a4w","H"); - comparePDB2cif("1a4w","I"); - //non-standard encoded amino acid - comparePDB2cif("1fdo","A"); - - // test a DNA binding protein - comparePDB2cif("1j59","A"); - //comparePDB2cif("1j59","B"); - //comparePDB2cif("1j59","C"); - //comparePDB2cif("1j59","D"); - comparePDB2cif("1j59","E"); - //comparePDB2cif("1j59","F"); - - // test a NMR protein - comparePDB2cif("2kc9","A"); - } - - private void comparePDB2cif(String id, String chainId) throws IOException { - String fileName = "/"+id+".cif"; - InputStream inStream = this.getClass().getResourceAsStream(fileName); - assertNotNull("Could not find file " + fileName + ". Config problem?" , inStream); - - MMcifParser parser = new SimpleMMcifParser(); - - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - FileParsingParameters params = new FileParsingParameters(); - params.setHeaderOnly(headerOnly); - consumer.setFileParsingParameters(params); - - - parser.addMMcifConsumer(consumer); - parser.parse(new BufferedReader(new InputStreamReader(inStream))); - // remove to avoid memory leaks - parser.clearConsumers(); - Structure cifStructure = consumer.getStructure(); - assertNotNull(cifStructure); - - - // load the PDB file via the PDB parser - Structure pdbStructure = null; - InputStream pinStream = this.getClass().getResourceAsStream("/"+id+".pdb"); - assertNotNull(inStream); - - PDBFileParser pdbpars = new PDBFileParser(); - pdbpars.setFileParsingParameters(params); - - - pdbStructure = pdbpars.parsePDBFile(pinStream) ; - - - assertNotNull(pdbStructure); - - // now compare the results - - - // chech NMR data - assertEquals(id + ": the isNMR flag is not the same!", pdbStructure.isNmr(), cifStructure.isNmr()); - - if ( pdbStructure.isNmr()){ - assertEquals(id + ": the nr of NMR models is not the same!", pdbStructure.nrModels(), pdbStructure.nrModels()); - checkNMR(pdbStructure); - checkNMR(cifStructure); - } - - //System.out.println(pdbStructure); - //System.out.println(cifStructure); - - // compare amino acids in chain 1: - Chain a_pdb = pdbStructure.getPolyChainByPDB(chainId); - Chain a_cif = cifStructure.getPolyChainByPDB(chainId); - //System.out.println(a_pdb.getAtomGroups()); - - //System.out.println(id + "_" + chainName + " pdb atom groups: " + a_pdb.getAtomGroups(GroupType.AMINOACID).size()); - //System.out.println(id + "_" + chainName + " cif atom groups: " + a_cif.getAtomGroups(GroupType.AMINOACID).size()); - - //for (Group g: a_cif.getAtomGroups()){ - // System.out.println(g); - //} - //System.out.println("--"); - String pdb_SEQseq = a_pdb.getSeqResSequence(); - - String cif_SEQseq = a_cif.getSeqResSequence(); - - // System.out.println(id + "_" + chainName + " pdbSEQ: " + pdb_SEQseq); - // System.out.println(id + "_" + chainName + " cifSEQ: " + cif_SEQseq); - - assertEquals(id + ": the SEQRES sequences don't match!", pdb_SEQseq,cif_SEQseq); - - assertEquals(id + ": The nr of ATOM groups does not match!",a_pdb.getAtomGroups(GroupType.AMINOACID).size(),a_cif.getAtomGroups(GroupType.AMINOACID).size() ); - - // actually this check not necessarily works, since there can be waters in PDB that we don;t deal with yet in cif... - //assertEquals("the nr of ATOM record groups is not the same!" , a_pdb.getAtomLength(),a_cif.getAtomLength()); - for (int i = 0 ; i < a_pdb.getAtomGroups(GroupType.AMINOACID).size(); i++){ - Group gp = a_pdb.getAtomGroups(GroupType.AMINOACID).get(i); - - List cifGroups = a_cif.getAtomGroups(GroupType.AMINOACID); - Group gc = cifGroups.get(i); - checkGroups(gp, gc); - } - - - - String pdb_seq = a_pdb.getAtomSequence(); - String cif_seq = a_cif.getAtomSequence(); - - //System.out.println(pdb_seq); - //System.out.println(cif_seq); - - assertEquals("the sequences obtained from PDB and mmCif don't match!",pdb_seq, cif_seq); - - List pdb_dbrefs= pdbStructure.getDBRefs(); - List cif_dbrefs= cifStructure.getDBRefs(); - - assertEquals("nr of DBrefs found does not match!", pdb_dbrefs.size(),cif_dbrefs.size()); - - DBRef p = pdb_dbrefs.get(0); - DBRef c = cif_dbrefs.get(0); - - //System.out.println(p.toPDB()); - //System.out.println(c.toPDB()); - String pdb_dbref = p.toPDB(); - String cif_dbref = c.toPDB(); - assertEquals("DBRef is not equal",pdb_dbref,cif_dbref); - - PDBHeader h1 = pdbStructure.getPDBHeader(); - PDBHeader h2 = cifStructure.getPDBHeader(); - - //compareString(h1.toPDB() ,h2.toPDB()); - //System.out.println(h1.toPDB()); - //System.out.println(h2.toPDB()); - if ( ! h1.toPDB().toUpperCase().equals(h2.toPDB().toUpperCase()) ){ - System.err.println(h1.toPDB()); - System.err.println(h2.toPDB()); - compareString(h1.toPDB(), h2.toPDB()); - } - assertEquals("the PDBHeader.toPDB representation is not equivalent", h1.toPDB().toUpperCase(),h2.toPDB().toUpperCase()); - - // and the ultimate test! - // but we are not there yet... - // TODO: still need to parse SSBOND equivalent info from cif files... - //assertEquals("the Structure.toPDB representation is not equivalent", pdbStructure.toPDB(),cifStructure.toPDB()); - - - - } - - private void checkGroups(Group g1, Group g2){ - - //System.out.print("comparing " +g1 + " " + g2); - String pdbId1 = g1.getChain().getStructure().getPDBCode(); - String pdbId2 = g1.getChain().getStructure().getPDBCode(); - assertEquals(pdbId1, pdbId2); - - assertEquals(g1.getType(),g2.getType()); - assertEquals(g1.getResidueNumber().getSeqNum(),g2.getResidueNumber().getSeqNum()); - assertEquals(g1.getResidueNumber().getInsCode(),g2.getResidueNumber().getInsCode()); - assertEquals(g1.getPDBName(),g2.getPDBName()); - assertEquals(g1.has3D(),g2.has3D()); - - assertEquals(g1.hasAltLoc(), g2.hasAltLoc()); - - assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2+":"+ g2,g1.getAltLocs().size(), g2.getAltLocs().size()); - - assertEquals(pdbId1 + ":" + g1 + " - " + pdbId2+":"+ g2 , g1.getAtoms().size(), g2.getAtoms().size()); - if ( g1.has3D()){ - - Atom a1 = g1.getAtom(0); - Atom a2 = g2.getAtom(0); - if ( a1 == null) - fail("could not get atom for group " + g1); - if (a2 == null) - fail("could not get atom for group " + g2); - assertEquals(a1.getX(),a2.getX(), 0.0001); - assertEquals(a1.getOccupancy(),a2.getOccupancy(), 0.0001); - assertEquals(a1.getTempFactor(),a2.getTempFactor(), 0.0001); - assertEquals(a1.getName(),a2.getName()); - - - } - //System.out.println(" ... done"); - - } - - private void checkNMR(Structure s){ - assertTrue(s.isNmr()); - - int models = s.nrModels(); - assertTrue(models > 0); - - List model0 = s.getModel(0); - - // compare with all others - for (int i = 1 ; i < models; i++){ - List modelX = s.getModel(i); - - assertEquals(model0.size(),modelX.size()); - - // compare lengths: - for (int j=0 ; j< model0.size();j++){ - Chain c1 = model0.get(j); - Chain cx = modelX.get(j); - assertEquals(c1.getAtomLength(),cx.getAtomLength()); - // can;t compare seq res, since this is only done for 1st... - //assertEquals("c1.getSeqResLength(),cx.getSeqResLength()); - assertEquals(c1.getAtomSequence(),cx.getAtomSequence()); - assertEquals(c1.getAtomGroups(GroupType.AMINOACID).size(),cx.getAtomGroups(GroupType.AMINOACID).size()); - assertEquals(c1.getAtomGroups(GroupType.NUCLEOTIDE).size(),cx.getAtomGroups(GroupType.NUCLEOTIDE).size()); - assertEquals(c1.getAtomGroups(GroupType.HETATM).size(),cx.getAtomGroups(GroupType.HETATM).size()); - } - - - } - } - - private void compareString(String t, String pdb){ - for (int i =0 ; i < t.length() ; i++){ - System.out.println(">"+t.charAt(i)+":"+ pdb.charAt(i)+"<"); - if ( Character.toUpperCase(t.charAt(i)) != Character.toUpperCase(pdb.charAt(i))){ - System.out.println("Mismatch!"); - break; - } - } - } - - -} diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java index b2ae39611c..170694a6e2 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java @@ -24,11 +24,11 @@ import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ChemCompProvider; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileParser; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.ChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import org.junit.Before; import org.junit.Test; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1a4w.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1a4w.java index 870c74a13a..ba6266cb2b 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1a4w.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1a4w.java @@ -26,14 +26,13 @@ import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileParser; -import org.biojava.nbio.structure.io.mmcif.MMcifParser; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; import org.junit.Assert; import org.junit.Before; import org.junit.Test; +import org.rcsb.cif.model.CifFile; import java.io.IOException; import java.io.InputStream; @@ -87,17 +86,11 @@ public void test1a4wPDBFile() throws IOException InputStream inStream = this.getClass().getResourceAsStream("/1a4w.cif"); Assert.assertNotNull(inStream); - MMcifParser pdbpars = new SimpleMMcifParser(); - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(true); - consumer.setFileParsingParameters(params); - pdbpars.addMMcifConsumer(consumer); - - pdbpars.parse(inStream) ; - structure2 = consumer.getStructure(); - - + CifFileReader reader = new CifFileReader(); + reader.setFileParsingParameters(params); + structure2 = reader.getStructure(inStream); Assert.assertNotNull(structure2); diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java index 03e2f6f060..8e59c8a931 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java @@ -12,7 +12,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; -import org.biojava.nbio.structure.io.cif.CifFileConverter; +import org.biojava.nbio.structure.io.cif.StructureConverter; import org.junit.Test; import java.io.ByteArrayInputStream; @@ -49,10 +49,10 @@ public void test1A2C() throws IOException { private static void testRoundTrip(String pdbId) throws IOException { URL url = new URL("https://files.rcsb.org/download/" + pdbId + ".cif"); - Structure originalStruct = CifFileConverter.fromURL(url); + Structure originalStruct = StructureConverter.fromURL(url); - InputStream inputStream = new ByteArrayInputStream(CifFileConverter.toText(originalStruct).getBytes()); - Structure readStruct = CifFileConverter.fromInputStream(inputStream); + InputStream inputStream = new ByteArrayInputStream(StructureConverter.toText(originalStruct).getBytes()); + Structure readStruct = StructureConverter.fromInputStream(inputStream); assertNotNull(readStruct); assertEquals(originalStruct.getChains().size(), readStruct.getChains().size()); @@ -113,7 +113,7 @@ private static void testRoundTrip(String pdbId) throws IOException { @Test public void testBiounitWriting() throws IOException { Structure s = createDummyStructure(); - String mmcif = CifFileConverter.toText(s); + String mmcif = StructureConverter.toText(s); String[] lines = mmcif.split("\n"); long atomLines = Arrays.stream(lines).filter(l -> l.startsWith("ATOM")).count(); assertNotNull(mmcif); diff --git a/biojava-modfinder/src/main/java/org/biojava/nbio/protmod/structure/StructureUtil.java b/biojava-modfinder/src/main/java/org/biojava/nbio/protmod/structure/StructureUtil.java index 0245018ca2..4842864b2d 100644 --- a/biojava-modfinder/src/main/java/org/biojava/nbio/protmod/structure/StructureUtil.java +++ b/biojava-modfinder/src/main/java/org/biojava/nbio/protmod/structure/StructureUtil.java @@ -25,8 +25,8 @@ package org.biojava.nbio.protmod.structure; import org.biojava.nbio.structure.*; -import org.biojava.nbio.structure.io.mmcif.MetalBondParser; -import org.biojava.nbio.structure.io.mmcif.chem.MetalBondDistance; +import org.biojava.nbio.structure.chem.MetalBondDistance; +import org.biojava.nbio.structure.io.cif.MetalBondConverter; import java.util.ArrayList; import java.util.Collections; @@ -279,18 +279,14 @@ public static Atom[] findLinkage(final Group group1, final Group group2, } private static boolean hasMetalBond(Atom a1, Atom a2, MetalBondDistance definition) { - - double distance = Calc.getDistance(a1,a2); - - Float min = definition.getLowerLimit(); - Float max = definition.getUpperLimit(); - - return ( min < distance && max > distance); - + double distance = Calc.getDistance(a1, a2); + float min = definition.getLowerLimit(); + float max = definition.getUpperLimit(); + return (min < distance && max > distance); } private static MetalBondDistance getMetalDistanceCutoff(String name1, String name2) { - Map> defs= MetalBondParser.getMetalBondDefinitions(); + Map> defs = MetalBondConverter.getMetalBondDefinitions(); List distances = defs.get(name1); diff --git a/biojava-structure-gui/src/main/java/demo/DemoCE.java b/biojava-structure-gui/src/main/java/demo/DemoCE.java index 5e2bb0aabb..88c5c8f307 100644 --- a/biojava-structure-gui/src/main/java/demo/DemoCE.java +++ b/biojava-structure-gui/src/main/java/demo/DemoCE.java @@ -36,8 +36,8 @@ import org.biojava.nbio.structure.align.model.AfpChainWriter; import org.biojava.nbio.structure.align.util.AFPChainScorer; import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; public class DemoCE { diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/gui/util/PDBUploadPanel.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/gui/util/PDBUploadPanel.java index 92efbeaf36..0e36624830 100644 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/gui/util/PDBUploadPanel.java +++ b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/gui/util/PDBUploadPanel.java @@ -26,6 +26,7 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.align.util.UserConfiguration; +import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.PDBFileReader; import org.biojava.nbio.structure.io.StructureIOFile; import org.slf4j.Logger; @@ -133,7 +134,7 @@ private Structure getStructure(JTextField filePath,JTextField chainId) throws St if ( fileFormat.equals(UserConfiguration.PDB_FORMAT)){ reader = new PDBFileReader(); } else if ( fileFormat.equals(UserConfiguration.MMCIF_FORMAT)){ - reader = new MMCIFFileReader(); + reader = new CifFileReader(); } else { throw new StructureException("Unkown file format " + fileFormat); } diff --git a/biojava-structure/src/main/java/demo/ChemCompDistribution.java b/biojava-structure/src/main/java/demo/ChemCompDistribution.java index 7e4e847e52..a1ae74166b 100644 --- a/biojava-structure/src/main/java/demo/ChemCompDistribution.java +++ b/biojava-structure/src/main/java/demo/ChemCompDistribution.java @@ -20,15 +20,12 @@ */ package demo; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; public class ChemCompDistribution { - public static void main(String[] args){ - DownloadChemCompProvider c = new DownloadChemCompProvider(); c.setDownloadAll(true); c.checkDoFirstInstall(); - } } diff --git a/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java b/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java index 1285d8488b..b8e4eb5430 100644 --- a/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java +++ b/biojava-structure/src/main/java/demo/DemoChangeChemCompProvider.java @@ -23,6 +23,10 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.chem.AllChemCompProvider; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ChemCompProvider; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileReader; diff --git a/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java b/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java index bd84ae8f1e..67de1031c0 100644 --- a/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java +++ b/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java @@ -23,12 +23,10 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.io.cif.StructureConverter; -import java.io.BufferedReader; import java.io.File; -import java.io.FileInputStream; import java.io.IOException; -import java.io.InputStreamReader; import java.io.PrintWriter; /** @@ -44,13 +42,8 @@ public static void main(String[] args) throws Exception { } public static void convert(File inFile, File outFile) throws IOException { - MMcifParser parser = new SimpleMMcifParser(); - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - parser.addMMcifConsumer(consumer); - parser.parse(new BufferedReader(new InputStreamReader(new FileInputStream(inFile)))); - // now get the protein structure. - Structure cifStructure = consumer.getStructure(); + Structure cifStructure = StructureConverter.fromPath(inFile.toPath()); // and write it out as PDB format PrintWriter pr = new PrintWriter(outFile); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java index 8f548be835..5a395ee417 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/ChainImpl.java @@ -25,6 +25,7 @@ import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.chem.PolymerType; import org.biojava.nbio.structure.io.FileConvert; import org.biojava.nbio.core.exceptions.CompoundNotFoundException; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java index c9c05a704c..27a7e6a3a5 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/HetatomImpl.java @@ -24,6 +24,7 @@ package org.biojava.nbio.structure; import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.chem.PolymerType; import org.biojava.nbio.structure.chem.ResidueType; import org.biojava.nbio.structure.io.GroupToSDF; @@ -466,9 +467,11 @@ public void setId(long id) { @Override public ChemComp getChemComp() { - if ( chemComp == null ) { + if (chemComp == null) { chemComp = ChemCompGroupFactory.getChemComp(pdb_name); - if (chemComp == null) logger.info("getChemComp: " + pdb_name); + if (chemComp == null) { + logger.info("getChemComp: {}", pdb_name); + } } return chemComp; } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java index 91cccd6a38..a36e93b508 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java @@ -23,7 +23,7 @@ import org.biojava.nbio.structure.StructureIO.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.PDBFileReader; -import org.biojava.nbio.structure.io.cif.CifFileConverter; +import org.biojava.nbio.structure.io.cif.StructureConverter; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -153,7 +153,7 @@ public Structure loadStructure(AtomCache cache) throws StructureException, switch(format) { case CIF: - return CifFileConverter.fromURL(url); + return StructureConverter.fromURL(url); default: case PDB: // pdb file based parsing diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java new file mode 100644 index 0000000000..77881edb44 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/AllChemCompProvider.java @@ -0,0 +1,167 @@ +package org.biojava.nbio.structure.chem; + +import org.biojava.nbio.structure.align.util.UserConfiguration; +import org.biojava.nbio.structure.io.LocalPDBDirectory; +import org.biojava.nbio.structure.io.cif.ChemCompConverter; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +import java.io.File; +import java.io.FileOutputStream; +import java.io.IOException; +import java.io.InputStream; +import java.net.URL; +import java.nio.file.Paths; +import java.util.concurrent.atomic.AtomicBoolean; + +/** + * A ChemComp provider that downloads and caches the components.cif file from the wwPDB site. It then loads all chemical + * components at startup and keeps them in memory. This provider is not used as a default since it is slower at startup + * and requires more memory than the {@link DownloadChemCompProvider} that is used by default. + * + * @author Andreas Prlic + */ +public class AllChemCompProvider implements ChemCompProvider, Runnable { + private static final Logger logger = LoggerFactory.getLogger(AllChemCompProvider.class); + public static final String COMPONENTS_FILE_LOCATION = "pub/pdb/data/monomers/components.cif.gz"; + private static String path; + private static String serverName; + + // there will be only one copy of the dictionary across all instances + // to reduce memory impact + static ChemicalComponentDictionary dict; + + // flags to make sure there is only one thread running that is loading the dictionary + static AtomicBoolean loading = new AtomicBoolean(false); + static AtomicBoolean isInitialized = new AtomicBoolean(false); + + public AllChemCompProvider() { + if (loading.get()) { + logger.warn("other thread is already loading all chemcomps, no need to init twice"); + return; + } + if (isInitialized.get()) { + return; + } + + loading.set(true); + + Thread t = new Thread(this); + t.start(); + } + + /** + * make sure all paths are initialized correctly + */ + private static void initPath() { + if (path == null) { + UserConfiguration config = new UserConfiguration(); + path = config.getCacheFilePath(); + } + } + + private static void initServerName() { + if (serverName == null) { + serverName = LocalPDBDirectory.getServerName(); + } + } + + private void ensureFileExists() { + String fileName = getLocalFileName(); + File f = new File(fileName); + + if (!f.exists()) { + try { + downloadFile(); + } catch (IOException e) { + logger.error("Caught IOException", e); + } + } + } + + /** + * Downloads the components.cif.gz file from the wwPDB site. + */ + public static void downloadFile() throws IOException { + initPath(); + initServerName(); + String localName = getLocalFileName(); + String u = serverName + "/" + COMPONENTS_FILE_LOCATION; + downloadFileFromRemote(new URL(u), new File(localName)); + } + + private static void downloadFileFromRemote(URL remoteURL, File localFile) throws IOException { + logger.info("Downloading {} to: {}", remoteURL, localFile); + FileOutputStream out = new FileOutputStream(localFile); + + InputStream in = remoteURL.openStream(); + byte[] buf = new byte[4 * 1024]; // 4K buffer + int bytesRead; + while ((bytesRead = in.read(buf)) != -1) { + out.write(buf, 0, bytesRead); + } + in.close(); + out.close(); + } + + private static String getLocalFileName(){ + File dir = new File(path, DownloadChemCompProvider.CHEM_COMP_CACHE_DIRECTORY); + + if (!dir.exists()) { + logger.info("Creating directory {}", dir.toString()); + dir.mkdir(); + } + + return new File(dir, "components.cif.gz").toString(); + } + + /** + * Load all {@link ChemComp} definitions into memory. + */ + private void loadAllChemComps() throws IOException { + String fileName = getLocalFileName(); + logger.debug("Loading {}", fileName); + dict = ChemCompConverter.fromPath(Paths.get(fileName)); + } + + /** + * {@inheritDoc} + */ + @Override + public ChemComp getChemComp(String recordName) { + while (loading.get()) { + // another thread is still initializing the definitions + try { + // wait half a second + Thread.sleep(500); + } catch (InterruptedException e) { + logger.error("Interrepted thread while waiting: {}", e.getMessage()); + //e.printStackTrace(); + } + } + + return dict.getChemComp(recordName); + } + + /** + * Do the actual loading of the dictionary in a thread. + */ + @Override + public void run() { + long timeS = System.currentTimeMillis(); + initPath(); + ensureFileExists(); + + try { + loadAllChemComps(); + long timeE = System.currentTimeMillis(); + logger.debug("Time to init chem comp dictionary: {} sec.", (timeE - timeS) / 1000); + } catch (IOException e) { + logger.error("Could not load chemical components definition file {}. Error: {}", getLocalFileName(), e.getMessage()); + } finally { + loading.set(false); + isInitialized.set(true); + } + } +} + diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java index 52aa39c604..7109d60204 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java @@ -19,14 +19,14 @@ public class ChemComp implements CifBean, Compa private String formula; private String monNstdParentCompId; private String pdbxSynonyms; - private String pdbxFormalCharge; + private int pdbxFormalCharge; private String pdbxInitialDate; private String pdbxModifiedDate; private String pdbxAmbiguousFlag; private String pdbxReleaseStatus; private String pdbxReplacedBy; private String pdbxReplaces; - private String formulaWeight; + private double formulaWeight; private String oneLetterCode; private String threeLetterCode; private String pdbxModelCoordinatesDetails; @@ -159,11 +159,11 @@ public void setPdbxSynonyms(String pdbxSynonyms) { this.pdbxSynonyms = pdbxSynonyms; } - public String getPdbxFormalCharge() { + public int getPdbxFormalCharge() { return pdbxFormalCharge; } - public void setPdbxFormalCharge(String pdbxFormalCharge) { + public void setPdbxFormalCharge(int pdbxFormalCharge) { this.pdbxFormalCharge = pdbxFormalCharge; } @@ -215,11 +215,11 @@ public void setPdbxReplaces(String pdbxReplaces) { this.pdbxReplaces = pdbxReplaces; } - public String getFormulaWeight() { + public double getFormulaWeight() { return formulaWeight; } - public void setFormulaWeight(String formulaWeight) { + public void setFormulaWeight(double formulaWeight) { this.formulaWeight = formulaWeight; } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java index cad290820e..d87a51e720 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java @@ -8,24 +8,24 @@ public class ChemCompAtom implements CifBean cache = new SoftHashMap<>(0); + + public static ChemComp getChemComp(String recordName) { + recordName = recordName.toUpperCase().trim(); + + // we are using the cache, to avoid hitting the file system too often. + ChemComp cc = cache.get(recordName); + if (cc != null) { + logger.debug("Chem comp {} read from cache", cc.getThreeLetterCode()); + return cc; + } + + // not cached, get the chem comp from the provider + logger.debug("Chem comp {} read from provider {}", recordName, chemCompProvider.getClass().getCanonicalName()); + cc = chemCompProvider.getChemComp(recordName); + + // Note that this also caches null or empty responses + cache.put(recordName, cc); + return cc; + } + + /** + * The new ChemCompProvider will be set in the static variable, + * so this provider will be used from now on until it is changed + * again. Note that this change can have unexpected behavior of + * code executed afterwards. + *

      + * Changing the provider also resets the cache, so any groups + * previously accessed will be reread or re-downloaded. + * + * @param provider + */ + public static void setChemCompProvider(ChemCompProvider provider) { + logger.debug("Setting new chem comp provider to {}", provider.getClass().getCanonicalName()); + chemCompProvider = provider; + // clear cache + cache.clear(); + } + + public static ChemCompProvider getChemCompProvider(){ + return chemCompProvider; + } + + /** + * Force the in-memory cache to be reset. + * + * Note that the ChemCompProvider may have additional memory or disk caches that need to be cleared too. + */ + public static void clearCache() { + cache.clear(); + } + + public static Group getGroupFromChemCompDictionary(String recordName) { + // make sure we work with upper case records + recordName = recordName.toUpperCase().trim(); + Group g; + ChemComp cc = getChemComp(recordName); + + if (cc == null) { + return null; + } + + if (PolymerType.PROTEIN_ONLY.contains(cc.getPolymerType())) { + AminoAcid aa = new AminoAcidImpl(); + + String one_letter = cc.getOneLetterCode(); + if (one_letter == null || one_letter.equals("X") || one_letter.equals("?") || one_letter.length() == 0) { + String parent = cc.getMonNstdParentCompId(); + if (parent != null && parent.length() == 3) { + String parentid = cc.getMonNstdParentCompId(); + ChemComp parentCC = getChemComp(parentid); + one_letter = parentCC.getOneLetterCode(); + } + } + + if (one_letter == null || one_letter.length() == 0 || one_letter.equals("?")) { + // e.g. problem with PRR, which probably should have a parent of ALA, but as of 20110127 does not. + logger.warn("Problem with chemical component: {} Did not find one letter code! Setting it to 'X'", + recordName); + aa.setAminoType('X'); + } else { + aa.setAminoType(one_letter.charAt(0)); + } + + g = aa; + } else if (PolymerType.POLYNUCLEOTIDE_ONLY.contains(cc.getPolymerType())) { + g = new NucleotideImpl(); + } else { + g = new HetatomImpl(); + } + + g.setChemComp(cc); + return g; + } + + public static String getOneLetterCode(ChemComp cc) { + String oneLetter = cc.getOneLetterCode(); + if (oneLetter == null || oneLetter.equals("X") || oneLetter.equals("?")) { + String parentId = cc.getMonNstdParentCompId(); + if (parentId == null) { + return oneLetter; + } + // cases like OIM have multiple parents (comma separated), we shouldn't try grab a chemcomp for those strings + if (parentId.length() > 3) { + return oneLetter; + } + ChemComp parentCC = ChemCompGroupFactory.getChemComp(parentId); + if (parentCC == null) { + return oneLetter; + } + oneLetter = parentCC.getOneLetterCode(); + } + return oneLetter; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java new file mode 100644 index 0000000000..936f5ef8cf --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompProvider.java @@ -0,0 +1,15 @@ +package org.biojava.nbio.structure.chem; + +/** + * Interface that is implemented by all classes that can provide {@link ChemComp} definitions. + * @author Andreas Prlic + * @since 3.0 + */ +public interface ChemCompProvider { + /** + * Returns a new instance of a chemical component definition. + * @param recordName the ID of the {@link ChemComp} + * @return a new {@link ChemComp} definition. + */ + ChemComp getChemComp(String recordName); +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java index 6b8f74dbd8..929223040a 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompTools.java @@ -78,21 +78,21 @@ public class ChemCompTools { AMINO_ACID_LOOKUP_1TO3 = Collections.unmodifiableMap(Collections.synchronizedMap(bar)); foo = new HashMap<>(); - foo.put("DA",'A'); - foo.put("DC",'C'); - foo.put("DG",'G'); - foo.put("DI",'I'); - foo.put("DU",'U'); - foo.put("DT",'T'); + foo.put("DA", 'A'); + foo.put("DC", 'C'); + foo.put("DG", 'G'); + foo.put("DI", 'I'); + foo.put("DU", 'U'); + foo.put("DT", 'T'); DNA_LOOKUP_2TO1 = Collections.unmodifiableMap((Collections.synchronizedMap(foo))); bar = new HashMap<>(); - bar.put('A',"DA"); - bar.put('C',"DC"); - bar.put('G',"DG"); - bar.put('I',"DI"); - bar.put('U',"DU"); - bar.put('T',"DT"); + bar.put('A', "DA"); + bar.put('C', "DC"); + bar.put('G', "DG"); + bar.put('I', "DI"); + bar.put('U', "DU"); + bar.put('T', "DT"); DNA_LOOKUP_1TO2 = Collections.unmodifiableMap(Collections.synchronizedMap(bar)); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java index 63b38ed2e2..c191e67118 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemicalComponentDictionary.java @@ -12,9 +12,9 @@ * */ public class ChemicalComponentDictionary { - private Map dictionary; - private Map replaces; - private Map isReplacedBy; + private final Map dictionary; + private final Map replaces; + private final Map isReplacedBy; public ChemicalComponentDictionary(){ dictionary = new HashMap<>(); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java new file mode 100644 index 0000000000..71a17b7292 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java @@ -0,0 +1,403 @@ +package org.biojava.nbio.structure.chem; + +import org.biojava.nbio.core.util.InputStreamProvider; +import org.biojava.nbio.structure.align.util.URLConnectionTools; +import org.biojava.nbio.structure.align.util.UserConfiguration; +import org.biojava.nbio.structure.io.LocalPDBDirectory; +import org.biojava.nbio.structure.io.cif.ChemCompConverter; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +import java.io.BufferedReader; +import java.io.File; +import java.io.FileOutputStream; +import java.io.FilenameFilter; +import java.io.IOException; +import java.io.InputStream; +import java.io.InputStreamReader; +import java.io.PrintWriter; +import java.io.StringWriter; +import java.net.URL; +import java.net.URLConnection; +import java.nio.file.Files; +import java.nio.file.Paths; +import java.nio.file.StandardCopyOption; +import java.util.ArrayList; +import java.util.List; +import java.util.concurrent.atomic.AtomicBoolean; +import java.util.zip.GZIPOutputStream; + +/** + * This provider of chemical components can download and cache chemical component definition files from the RCSB PDB web + * site. It is the default way to access these definitions. If this provider is called he first time, it will download + * and install all chemical component definitions in a local directory. Once the definition files have been installed, + * it has quick startup time and low memory requirements. + * + * An alternative provider, that keeps all definitions in memory is the {@link AllChemCompProvider}. Another provider, + * that does not require any network access, but only can support a limited set of chemical component definitions, is + * the {@link ReducedChemCompProvider}. + * + * @author Andreas Prlic + */ +public class DownloadChemCompProvider implements ChemCompProvider { + private static final Logger logger = LoggerFactory.getLogger(DownloadChemCompProvider.class); + + public static final String CHEM_COMP_CACHE_DIRECTORY = "chemcomp"; + public static final String DEFAULT_SERVER_URL = "http://files.rcsb.org/ligands/download/"; + public static String serverBaseUrl = DEFAULT_SERVER_URL; + /** + * Use default RCSB server layout (true) or internal RCSB server layout (false) + */ + public static boolean useDefaultUrlLayout = true; + + private static File path; + //private static final String FILE_SEPARATOR = System.getProperty("file.separator"); + private static final String NEWLINE = System.getProperty("line.separator"); + + + // flags to make sure there is only one thread running that is loading the dictionary + static AtomicBoolean loading = new AtomicBoolean(false); + + static final List protectedIDs = new ArrayList<>(); + static { + protectedIDs.add("CON"); + protectedIDs.add("PRN"); + protectedIDs.add("AUX"); + protectedIDs.add("NUL"); + } + + private static ChemCompProvider fallback = null; // Fallback provider if the download fails + + /** + * by default we will download only some of the files. User has to request that all files should be downloaded... + */ + boolean downloadAll = false; + + public DownloadChemCompProvider() { + this(null); + } + + public DownloadChemCompProvider(String cacheFilePath) { + logger.debug("Initialising DownloadChemCompProvider"); + + // note that path is static, so this is just to make sure that all non-static methods will have path initialised + if (cacheFilePath != null) { + path = new File(cacheFilePath); + } + } + + /** + * Get this provider's cache path + * @return + */ + public static File getPath() { + if (path == null) { + UserConfiguration config = new UserConfiguration(); + path = new File(config.getCacheFilePath()); + } + return path; + } + + /** + * Checks if the chemical components already have been installed into the PDB directory. + * If not, will download the chemical components definitions file and split it up into small + * subfiles. + */ + public void checkDoFirstInstall() { + if (!downloadAll) { + return; + } + + // this makes sure there is a file separator between every component, + // if path has a trailing file separator or not, it will work for both cases + File dir = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); + File f = new File(dir, "components.cif.gz"); + + if (!f.exists()) { + downloadAllDefinitions(); + } else { + // file exists.. did it get extracted? + FilenameFilter filter = (dir1, file) -> file.endsWith(".cif.gz"); + String[] files = dir.list(filter); + if (files.length < 500) { + // not all did get unpacked + try { + split(); + } catch (IOException e) { + logger.error("Could not split file {} into individual chemical component files. Error: {}", + f.toString(), e.getMessage()); + } + } + } + } + + private void split() throws IOException { + logger.info("Installing individual chem comp files ..."); + + File dir = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); + File f = new File(dir, "components.cif.gz"); + + int counter = 0; + InputStreamProvider prov = new InputStreamProvider(); + + try (BufferedReader buf = new BufferedReader (new InputStreamReader(prov.getInputStream(f)))) { + String line; + line = buf.readLine (); + StringWriter writer = new StringWriter(); + + String currentID = null; + while (line != null) { + if (line.startsWith("data_")) { + // a new record found! + + if (currentID != null) { + writeID(writer.toString(), currentID); + counter++; + } + + currentID = line.substring(5); + writer = new StringWriter(); + } + + writer.append(line); + writer.append(NEWLINE); + + line = buf.readLine(); + } + + // write the last record... + writeID(writer.toString(), currentID); + counter++; + } + + logger.info("Created {} chemical component files.", counter); + } + + /** + * Output chemical contents to a file + * @param contents File contents + * @param currentID Chemical ID, used to determine the filename + * @throws IOException + */ + private void writeID(String contents, String currentID) throws IOException { + String localName = getLocalFileName(currentID); + try (PrintWriter pw = new PrintWriter(new GZIPOutputStream(new FileOutputStream(localName)))) { + pw.print(contents); + pw.flush(); + } + } + + /** + * Loads the definitions for this {@link ChemComp} from a local file and instantiates a new object. + * + * @param recordName the ID of the {@link ChemComp} + * @return a new {@link ChemComp} definition. + */ + @Override + public ChemComp getChemComp(String recordName) { + // make sure we work with upper case records + recordName = recordName.toUpperCase().trim(); + + boolean haveFile = true; + if (recordName.equals("?")) { + return null; + } + + if (fileIsAbsent(recordName)) { + // check if we should install all components + checkDoFirstInstall(); + } + if (fileIsAbsent(recordName)) { + // we previously have installed already the definitions, + // just do an incrememntal update + haveFile = downloadChemCompRecord(recordName); + } + + // Added check that download was successful and chemical component is available. + if (haveFile) { + String filename = getLocalFileName(recordName); + try { + ChemicalComponentDictionary dict = ChemCompConverter.fromPath(Paths.get(filename)); + ChemComp chemComp = dict.getChemComp(recordName); + + // May be null if the file was corrupt. Fall back on ReducedChemCompProvider in that case + if (chemComp != null) { + return chemComp; + } + } catch (IOException e) { + logger.warn("Could not download chemical component file {} for {}. Error: {}. Now trying to use the " + + "local chemical component definitions.", filename, recordName, e.getMessage()); + } + } + + // see https://github.com/biojava/biojava/issues/315 + // probably a network error happened. Try to use the ReducedChemCOmpProvider + if (fallback == null) { + fallback = new ReducedChemCompProvider(); + } + + logger.warn("Falling back to ReducedChemCompProvider for {}. This could indicate a network error.", recordName); + return fallback.getChemComp(recordName); + } + + /** + * Returns the file name that contains the definition for this {@link ChemComp} + * + * @param recordName the ID of the {@link ChemComp} + * @return full path to the file + */ + public static String getLocalFileName(String recordName) { + if (protectedIDs.contains(recordName)) { + recordName = "_" + recordName; + } + + File f = new File(getPath(), CHEM_COMP_CACHE_DIRECTORY); + if (!f.exists()) { + logger.info("Creating directory {}", f); + + boolean success = f.mkdir(); + // we've checked in initPath that path is writable, so there's no need to check if it succeeds + // in the unlikely case that in the meantime it isn't writable at least we log an error + if (!success) { + logger.error("Directory {} could not be created", f); + } + } + + File theFile = new File(f, recordName + ".cif.gz"); + return theFile.toString(); + } + + private static boolean fileIsAbsent(String recordName) { + String fileName = getLocalFileName(recordName); + File f = new File(fileName); + + // delete files that are too short to have contents + if (f.length() < LocalPDBDirectory.MIN_PDB_FILE_SIZE) { + // Delete defensively. + // Note that if delete is unsuccessful, we re-download the file anyways + f.delete(); + return true; + } + + return !f.exists(); + } + + /** + * @param recordName : three-letter name + * @return true if successful download + */ + private static boolean downloadChemCompRecord(String recordName) { + String localName = getLocalFileName(recordName); + File newFile; + try { + newFile = File.createTempFile("chemcomp" + recordName, "cif"); + logger.debug("Will write chem comp file to temp file {}", newFile.toString()); + } catch(IOException e) { + logger.error("Could not write to temp directory {} to create the chemical component download temp file", System.getProperty("java.io.tmpdir")); + return false; + } + String u; + if (useDefaultUrlLayout) { + u = serverBaseUrl + recordName + ".cif"; + } else { + u = serverBaseUrl + recordName.charAt(0) + "/" + recordName + "/" + recordName + ".cif"; + } + + logger.debug("downloading {}", u); + + URL url = null; + try { + url = new URL(u); + URLConnection uconn = URLConnectionTools.openURLConnection(url); + + try (PrintWriter pw = new PrintWriter(new GZIPOutputStream(new FileOutputStream(newFile))); + BufferedReader fileBuffer = new BufferedReader(new InputStreamReader(uconn.getInputStream()))) { + String line; + while ((line = fileBuffer.readLine()) != null) { + pw.println(line); + } + + pw.flush(); + } + // Now we move this across to where it actually wants to be + Files.move(newFile.toPath(), Paths.get(localName), StandardCopyOption.REPLACE_EXISTING); + + return true; + } catch (IOException e) { + logger.error("Could not download {} OR store locally to {} Error ={}", + url, + localName, + e.getMessage()); + newFile.delete(); + } + return false; + } + + private void downloadAllDefinitions() { + if (loading.get()) { + logger.info("Waiting for other thread to install chemical components..."); + } + + while (loading.get()) { + // another thread is already downloading the components definitions + // wait for the other thread to finish... + try { + // wait half a second + Thread.sleep(500); + } catch (InterruptedException e) { + //e.printStackTrace(); + logger.error("Thread interrupted "+e.getMessage()); + } + + logger.info("Another thread installed the chemical components."); + return; + } + + loading.set(true); + long timeS = System.currentTimeMillis(); + + logger.info("Performing first installation of chemical components."); + logger.info("Downloading components.cif.gz ..."); + + try { + AllChemCompProvider.downloadFile(); + } catch (IOException e) { + logger.error("Could not download the all chemical components file. Error: {}. " + + "Chemical components information won't be available", e.getMessage()); + // no point in trying to split if the file could not be downloaded + loading.set(false); + return; + } + try { + split(); + } catch (IOException e) { + logger.error("Could not split all chem comp file into individual chemical component files. Error: {}", + e.getMessage()); + // no point in reporting time + loading.set(false); + return; + } + long timeE = System.currentTimeMillis(); + logger.info("time to install chem comp dictionary: " + (timeE - timeS) / 1000 + " sec."); + loading.set(false); + } + + /** + * By default this provider will download only some of the {@link ChemComp} files. + * The user has to request that all files should be downloaded by setting this parameter to true. + * + * @return flag if the all components should be downloaded and installed at startup. (default: false) + */ + public boolean isDownloadAll() { + return downloadAll; + } + + /** By default this provider will download only some of the {@link ChemComp} files. + * The user has to request that all files should be downloaded by setting this parameter to true. + * + * @param downloadAll if the all components should be downloaded and installed at startup. (default: false) + */ + public void setDownloadAll(boolean downloadAll) { + this.downloadAll = downloadAll; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/MetalBondDistance.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/MetalBondDistance.java new file mode 100644 index 0000000000..1b64b73b35 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/MetalBondDistance.java @@ -0,0 +1,56 @@ +package org.biojava.nbio.structure.chem; + +/** + * A bean that contains cutoffs for correctly detecting metal bonds. + * Definitions are in file bond_distance_limits.cif.gz + * + * Created by andreas on 6/9/16. + */ +public class MetalBondDistance { + private String atomType1; + private String atomType2; + private float lowerLimit; + private float upperLimit; + + public String getAtomType1() { + return atomType1; + } + + public void setAtomType1(String atomType1) { + this.atomType1 = atomType1; + } + + public String getAtomType2() { + return atomType2; + } + + public void setAtomType2(String atomType2) { + this.atomType2 = atomType2; + } + + public float getLowerLimit() { + return lowerLimit; + } + + public void setLowerLimit(float lowerLimit) { + this.lowerLimit = lowerLimit; + } + + public float getUpperLimit() { + return upperLimit; + } + + public void setUpperLimit(float upperLimit) { + this.upperLimit = upperLimit; + } + + @Override + public String toString() { + return "MetalBindDistance{" + + "atomType1='" + atomType1 + '\'' + + ", atomType2='" + atomType2 + '\'' + + ", lowerLimit=" + lowerLimit + + ", upperLimit=" + upperLimit + + '}'; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java new file mode 100644 index 0000000000..5321869139 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ReducedChemCompProvider.java @@ -0,0 +1,58 @@ +package org.biojava.nbio.structure.chem; + +import org.biojava.nbio.structure.io.cif.ChemCompConsumer; +import org.biojava.nbio.structure.io.cif.ChemCompConsumerImpl; +import org.biojava.nbio.structure.io.cif.ChemCompConverter; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +import java.io.BufferedReader; +import java.io.IOException; +import java.io.InputStream; +import java.io.InputStreamReader; +import java.util.zip.GZIPInputStream; + +/** + * Unlike the {@link DownloadChemCompProvider}, this {@link ChemCompProvider} does not download any chem comp + * definitions. It has access to a limited set of files that are part of the biojava distribution. + * + * @author Andreas Prlic + * @since 3.0 + */ +public class ReducedChemCompProvider implements ChemCompProvider { + private static final Logger logger = LoggerFactory.getLogger(ReducedChemCompProvider.class); + + public ReducedChemCompProvider(){ + logger.debug("Initialising ReducedChemCompProvider"); + } + + @Override + public ChemComp getChemComp(String recordName) { + String name = recordName.toUpperCase().trim(); + try (InputStream inStream = this.getClass().getResourceAsStream("/chemcomp/" + name + ".cif.gz")) { + logger.debug("Reading chemcomp/{}.cif.gz", recordName); + + if (inStream == null) { + //System.out.println("Could not find chem comp: " + name + " ... using generic Chem Comp"); + // could not find the chem comp definition for this in the jar file + logger.debug("Getting empty chem comp for {}", name); + ChemComp cc = ChemComp.getEmptyChemComp(); + cc.setId(name); + return cc; + } + + // The Consumer builds up the BioJava - structure object. + // you could also hook in your own and build up you own data model. + ChemicalComponentDictionary dict = ChemCompConverter.fromInputStream(inStream); + + return dict.getChemComp(name); + } catch (IOException e) { + logger.error("IOException caught while reading chem comp {}.", name, e); + } + logger.warn("Problem when loading chem comp {}, will use an empty chem comp for it", name); + ChemComp cc = ChemComp.getEmptyChemComp(); + cc.setId(name); + return cc; + } +} + diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ZipChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ZipChemCompProvider.java new file mode 100644 index 0000000000..34d7eea4db --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ZipChemCompProvider.java @@ -0,0 +1,275 @@ +package org.biojava.nbio.structure.chem; + +import org.biojava.nbio.structure.io.cif.ChemCompConverter; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +import java.io.BufferedOutputStream; +import java.io.File; +import java.io.FileOutputStream; +import java.io.IOException; +import java.nio.file.FileSystem; +import java.nio.file.FileSystems; +import java.nio.file.Files; +import java.nio.file.Path; +import java.nio.file.Paths; +import java.nio.file.StandardCopyOption; +import java.util.HashSet; +import java.util.Set; +import java.util.zip.ZipEntry; +import java.util.zip.ZipOutputStream; + +/** + * This chemical component provider retrieves and caches chemical component definition files from a + * zip archive specified in its construction. If the archive does not contain the record, an attempt is + * made to download it using DownloadChemCompProvider. The downloaded file is then added to the archive. + * + * The class is thread-safe and the same ZipChemCompProvider should be used by all threads to prevent + * simultaneous read or write to the zip archive. A zip archive will be created if missing. + * + * @author edlunde + * @author larsonm + * @since 12/05/12 + * updated 3/5/2016 for Java 7 ZipFileSystem + */ +public class ZipChemCompProvider implements ChemCompProvider{ + private static final Logger s_logger = LoggerFactory.getLogger(ZipChemCompProvider.class); + + private final Path m_tempDir; // Base path where $m_zipRootDir/ will be downloaded to. + private final Path m_zipRootDir; + private final Path m_zipFile; + private final DownloadChemCompProvider m_dlProvider; + + private boolean m_removeCif; + + // Missing IDs from library that cannot be download added here to prevent delays. + private Set unavailable = new HashSet<>(); + + /** + * ZipChemCompProvider is a Chemical Component provider that stores chemical components + * in a zip archive. Missing chemical components are downloaded and appended to the + * archive. If non-existent a new zip archive will be created. + * + * @param chemicalComponentDictionaryFile : path to zip archive for chemical components. + * @param tempDir : path for temporary directory, (null) defaults to path in property "java.io.tmpdir". + * @throws IOException + */ + public ZipChemCompProvider(String chemicalComponentDictionaryFile, String tempDir) throws IOException { + this.m_zipFile = Paths.get(chemicalComponentDictionaryFile); + + // Use a default temporary directory if not passed a value. + if (tempDir == null || tempDir.equals("")) { + this.m_tempDir = Paths.get(System.getProperty("java.io.tmpdir")); + } else { + this.m_tempDir = Paths.get(tempDir); + } + + this.m_zipRootDir = Paths.get("chemcomp"); + + // Setup an instance of the download chemcomp provider. + this.m_dlProvider = new DownloadChemCompProvider(m_tempDir.toString()); + this.m_removeCif = true; + initializeZip(); + } + + // See comments in addToZipFileSystem for why initialization is required with + // ZipFileSystems - due to URI issues in Java7. + private void initializeZip() throws IOException { + s_logger.info("Using chemical component dictionary: {}", m_zipFile.toString()); + final File f = m_zipFile.toFile(); + if (!f.exists()) { + s_logger.info("Creating missing zip archive: {}", m_zipFile.toString()); + FileOutputStream fo = new FileOutputStream(f); + try (ZipOutputStream zip = new ZipOutputStream(new BufferedOutputStream(fo))) { + zip.putNextEntry(new ZipEntry("chemcomp/")); + zip.closeEntry(); + } + } + } + + /** + * Remove downloaded .cif.gz after adding to zip archive? + * Default is true. + * @param doRemove + */ + public void setRemoveCif(boolean doRemove) { + m_removeCif = doRemove; + } + + /** + * (non-Javadoc) + * @see ChemCompProvider#getChemComp(java.lang.String) + * + * @param recordName : three letter PDB name for a residue + * @return ChemComp from .zip or ChemComp from repository. Will return empty ChemComp when unable to find a residue and will return null if not provided a valid recordName. + */ + @Override + public ChemComp getChemComp(String recordName) { + if (null == recordName) return null; + + // handle non-existent ChemComp codes and do not repeatedly attempt to add these. + for (String str : unavailable) { + if (recordName.equals(str)) return getEmptyChemComp(recordName); + } + + // Try to pull from zip, if fail then download. + ChemComp cc = getFromZip(recordName); + if (cc == null) { + s_logger.info("File {} not found in archive. Attempting download from PDB.", recordName); + cc = downloadAndAdd(recordName); + } + + // If a null record or an empty chemcomp, return a default ChemComp and blacklist. + if (cc == null || (null == cc.getName() && cc.getAtoms().size() == 0)) { + s_logger.info("Unable to find or download {} - excluding from future searches.", recordName); + unavailable.add(recordName); + return getEmptyChemComp(recordName); + } + return cc; + } + + /** Use DownloadChemCompProvider to grab a gzipped cif record from the PDB. + * Zip all downloaded cif.gz files into the dictionary. + * + * @param recordName is the three-letter chemical component code (i.e. residue name). + * @return ChemComp matching recordName + */ + private ChemComp downloadAndAdd(String recordName){ + final ChemComp cc = m_dlProvider.getChemComp(recordName); + + // final File [] files = finder(m_tempDir.resolve("chemcomp").toString(), "cif.gz"); + final File [] files = new File[1]; + Path cif = m_tempDir.resolve("chemcomp").resolve(recordName + ".cif.gz"); + files[0] = cif.toFile(); + if (files[0] != null) { + addToZipFileSystem(m_zipFile, files, m_zipRootDir); + if (m_removeCif) for (File f : files) f.delete(); + } + return cc; + } + + /** + * Cleanup chemical component (.cif.gz) files downloaded to tmpdir. + * @param tempdir : path to temporary directory for chemical components + */ + public static void purgeTempFiles(String tempdir) { + if (tempdir == null) return; + + s_logger.info("Removing: "+tempdir); + Path dlPath = Paths.get(tempdir).resolve("chemcomp"); + File[] chemCompOutFiles = finder(dlPath.toString(), "cif.gz"); + if (null != chemCompOutFiles) for (File f : chemCompOutFiles) f.delete(); + dlPath.toFile().delete(); + } + + /** + * Return an empty ChemComp group for a three-letter resName. + * @param resName + * @return + */ + private ChemComp getEmptyChemComp(String resName){ + String pdbName = ""; // Empty string is default + if (null != resName && resName.length() >= 3) { + pdbName = resName.substring(0,3); + } + final ChemComp comp = new ChemComp(); + comp.setOneLetterCode("?"); + comp.setThreeLetterCode(pdbName); + comp.setPolymerType(PolymerType.unknown); + comp.setResidueType(ResidueType.atomn); + return comp; + } + + /** + * Return File(s) in dirName that match suffix. + * @param dirName + * @param suffix + * @return + */ + static private File[] finder(String dirName, final String suffix) { + if (null == dirName || null == suffix) { + return null; + } + + final File dir = new File(dirName); + return dir.listFiles((dir1, filename) -> filename.endsWith(suffix)); + } + + /** + * This is synchronized, along with addToFileSystem to prevent simulatenous reading/writing. + * @param recordName to find in zipfile. + * @return ChemComp if found or null if missing. + */ + private synchronized ChemComp getFromZip(String recordName) { + ChemComp cc = null; + if (!m_zipFile.toFile().exists()) return cc; + final String filename = "chemcomp/" + recordName + ".cif.gz"; + + // try with resources block to read from the filesystem. + try (FileSystem fs = FileSystems.newFileSystem(m_zipFile, null)) { + Path cif = fs.getPath(filename); + + if (Files.exists(cif)) { + s_logger.debug("reading {} from {}", recordName, m_zipFile); + final ChemicalComponentDictionary dict = ChemCompConverter.fromPath(cif); + cc = dict.getChemComp(recordName); + } + } catch (IOException e) { + s_logger.error("Unable to read from zip file : {}", e.getMessage()); + } + + return cc; + } + + /** + * Add an array of files to a zip archive. + * Synchronized to prevent simultaneous reading/writing. + * + * @param zipFile is a destination zip archive + * @param files is an array of files to be added + * @param pathWithinArchive is the path within the archive to add files to + * @return true if successfully appended these files. + */ + private synchronized boolean addToZipFileSystem(Path zipFile, File[] files, Path pathWithinArchive) { + boolean ret = false; + + /* URIs in Java 7 cannot have spaces, must use Path instead + * and so, cannot use the properties map to describe need to create + * a new zip archive. ZipChemCompProvider.initilizeZip to creates the + * missing zip file */ + + /* + // convert the filename to a URI + String uriString = "jar:file:" + zipFile.toUri().getPath(); + final URI uri = URI.create(uriString); + + // if filesystem doesn't exist, create one. + final Map env = new HashMap<>(); + // Create a new zip if one isn't present. + if (!zipFile.toFile().exists()) { + System.out.println("Need to create " + zipFile.toString()); + } + env.put("create", String.valueOf(!zipFile.toFile().exists())); + // Specify the encoding as UTF -8 + env.put("encoding", "UTF-8"); + */ + + // Copy in each file. + try (FileSystem zipfs = FileSystems.newFileSystem(zipFile, null)) { + Files.createDirectories(pathWithinArchive); + for (File f : files) { + if (!f.isDirectory() && f.exists()) { + Path externalFile = f.toPath(); + Path pathInZipFile = zipfs.getPath(pathWithinArchive.resolve(f.getName()).toString()); + Files.copy(externalFile, pathInZipFile, + StandardCopyOption.REPLACE_EXISTING); + } + } + ret = true; + } catch (IOException ex) { + s_logger.error("Unable to add entries to Chemical Component zip archive : {}", ex.getMessage()); + ret = false; + } + return ret; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java index b8e10ffbb8..de50722b34 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java @@ -750,40 +750,41 @@ public String toPDB() { public String toMMCIF() { StringBuilder sb = new StringBuilder(); - String molecId1 = getMoleculeIds().getFirst(); - String molecId2 = getMoleculeIds().getSecond(); - - if (isSymRelated()) { - // if both chains are named equally we want to still named them differently in the output mmcif file - // so that molecular viewers can handle properly the 2 chains as separate entities - molecId2 = molecId2 + "_" +getTransforms().getSecond().getTransformId(); - } - - sb.append(SimpleMMcifParser.MMCIF_TOP_HEADER).append("BioJava_interface_").append(getId()).append(System.getProperty("line.separator")); - - sb.append(FileConvert.getAtomSiteHeader()); - - // we reassign atom ids if sym related (otherwise atom ids would be duplicated and some molecular viewers can't cope with that) - int atomId = 1; - List atomSites = new ArrayList<>(); - for (Atom atom:this.molecules.getFirst()) { - if (isSymRelated()) { - atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId1, molecId1, atomId)); - } else { - atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId1, molecId1)); - } - atomId++; - } - for (Atom atom:this.molecules.getSecond()) { - if (isSymRelated()) { - atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId2, molecId2, atomId)); - } else { - atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId2, molecId2)); - } - atomId++; - } - - sb.append(MMCIFFileTools.toMMCIF(atomSites,AtomSite.class)); + // TODO impl +// String molecId1 = getMoleculeIds().getFirst(); +// String molecId2 = getMoleculeIds().getSecond(); +// +// if (isSymRelated()) { +// // if both chains are named equally we want to still named them differently in the output mmcif file +// // so that molecular viewers can handle properly the 2 chains as separate entities +// molecId2 = molecId2 + "_" +getTransforms().getSecond().getTransformId(); +// } +// +// sb.append(SimpleMMcifParser.MMCIF_TOP_HEADER).append("BioJava_interface_").append(getId()).append(System.getProperty("line.separator")); +// +// sb.append(FileConvert.getAtomSiteHeader()); +// +// // we reassign atom ids if sym related (otherwise atom ids would be duplicated and some molecular viewers can't cope with that) +// int atomId = 1; +// List atomSites = new ArrayList<>(); +// for (Atom atom:this.molecules.getFirst()) { +// if (isSymRelated()) { +// atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId1, molecId1, atomId)); +// } else { +// atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId1, molecId1)); +// } +// atomId++; +// } +// for (Atom atom:this.molecules.getSecond()) { +// if (isSymRelated()) { +// atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId2, molecId2, atomId)); +// } else { +// atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId2, molecId2)); +// } +// atomId++; +// } +// +// sb.append(MMCIFFileTools.toMMCIF(atomSites,AtomSite.class)); return sb.toString(); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java index f0325b5b3e..a122158aee 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java @@ -2,7 +2,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.io.cif.CifFileConverter; +import org.biojava.nbio.structure.io.cif.StructureConverter; import java.io.IOException; import java.io.InputStream; @@ -38,7 +38,7 @@ public BcifFileReader(String path) { @Override public Structure getStructure(InputStream inStream) throws IOException { - return CifFileConverter.fromInputStream(inStream, getFileParsingParameters()); + return StructureConverter.fromInputStream(inStream, getFileParsingParameters()); } @Override diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java index df077cde9b..7c4fe74144 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BondMaker.java @@ -25,6 +25,7 @@ import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.chem.ChemComp; import org.biojava.nbio.structure.chem.ChemCompBond; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.io.util.PDBTemporaryStorageUtils.LinkRecord; import org.rcsb.cif.model.ValueKind; import org.rcsb.cif.schema.mm.StructConn; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/ChargeAdder.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/ChargeAdder.java index 311414f9da..607cf8e150 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/ChargeAdder.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/ChargeAdder.java @@ -30,7 +30,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.chem.ChemComp; import org.biojava.nbio.structure.chem.ChemCompAtom; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -53,25 +53,7 @@ public static void addCharges(Structure structure) { List chemAtoms = thisChemComp.getAtoms(); for (ChemCompAtom chemCompAtom : chemAtoms) { Atom atom = g.getAtom(chemCompAtom.getAtomId()); - String stringCharge = chemCompAtom.getCharge(); - short shortCharge = 0; - if (stringCharge != null) { - if (!stringCharge.equals("?")) { - try { - shortCharge = Short.parseShort(stringCharge); - } catch(NumberFormatException e) { - logger.warn("Number format exception. Parsing '{}' to short", stringCharge); - } - } else { - logger.warn("? charge on atom {} in group {}", - chemCompAtom.getAtomId(), - thisChemComp.getId()); - } - } else { - logger.warn("Null charge on atom {} in group {}", - chemCompAtom.getAtomId(), - thisChemComp.getId()); - } + short shortCharge = (short) chemCompAtom.getCharge(); if (atom != null) { atom.setCharge(shortCharge); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java index a5977931c2..edfe601b8d 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java @@ -2,7 +2,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.io.cif.CifFileConverter; +import org.biojava.nbio.structure.io.cif.StructureConverter; import java.io.IOException; import java.io.InputStream; @@ -40,7 +40,7 @@ public CifFileReader(String path) { @Override public Structure getStructure(InputStream inStream) throws IOException{ - return CifFileConverter.fromInputStream(inStream, getFileParsingParameters()); + return StructureConverter.fromInputStream(inStream, getFileParsingParameters()); } @Override diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java index d6da021e63..8264fb2b3f 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java @@ -40,7 +40,7 @@ import org.biojava.nbio.structure.PDBHeader; import org.biojava.nbio.structure.Site; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.io.cif.CifFileConverter; +import org.biojava.nbio.structure.io.cif.StructureConverter; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -593,10 +593,10 @@ else if (name.length()==1) public String toMMCIF() { - return CifFileConverter.toText(this.structure); + return StructureConverter.toText(this.structure); } public static String toMMCIF(Chain chain) { - return CifFileConverter.toText(chain); + return StructureConverter.toText(chain); } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java index 6200c90b1a..a1f16e27b6 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/PDBFileParser.java @@ -70,7 +70,7 @@ import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.chem.ChemCompAtom; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.io.util.PDBTemporaryStorageUtils.LinkRecord; import org.biojava.nbio.structure.secstruc.SecStrucInfo; import org.biojava.nbio.structure.secstruc.SecStrucType; @@ -301,7 +301,7 @@ public PDBFileParser() { /** initiate new resNum, either Hetatom, Nucleotide, or AminoAcid */ private Group getNewGroup(String recordName,Character aminoCode1, String aminoCode3) { - Group g = ChemCompGroupFactory.getGroupFromChemCompDictionary(aminoCode3); + Group g = ChemCompGroupFactory.getGroupFromChemCompDictionary(aminoCode3); if ( g != null && !g.getChemComp().isEmpty()) return g; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java new file mode 100644 index 0000000000..5bbb3f7a6a --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java @@ -0,0 +1,16 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.chem.ChemCompDescriptor; +import org.biojava.nbio.structure.chem.ChemicalComponentDictionary; +import org.rcsb.cif.schema.mm.ChemComp; +import org.rcsb.cif.schema.mm.ChemCompAtom; +import org.rcsb.cif.schema.mm.ChemCompBond; + +public interface ChemCompConsumer extends CifFileConsumer { + void consumeChemComp(ChemComp c); + + void consumeChemCompAtom(ChemCompAtom atom); + + void consumeChemCompBond(ChemCompBond bond); +} + diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java new file mode 100644 index 0000000000..ffe61f2d0b --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java @@ -0,0 +1,108 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.chem.ChemicalComponentDictionary; +import org.rcsb.cif.schema.mm.ChemComp; +import org.rcsb.cif.schema.mm.ChemCompAtom; +import org.rcsb.cif.schema.mm.ChemCompBond; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +public class ChemCompConsumerImpl implements ChemCompConsumer { + private static final Logger logger = LoggerFactory.getLogger(ChemCompConsumerImpl.class); + private final ChemicalComponentDictionary dictionary; + private String latestChemCompId; + + public ChemCompConsumerImpl() { + this.dictionary = new ChemicalComponentDictionary(); + } + + @Override + public void consumeChemComp(ChemComp c) { + org.biojava.nbio.structure.chem.ChemComp chemComp = new org.biojava.nbio.structure.chem.ChemComp(); + chemComp.setId(c.getId().get(0)); + chemComp.setName(c.getName().get(0)); + chemComp.setType(c.getType().get(0)); + chemComp.setPdbxType(c.getPdbxType().get(0)); + chemComp.setFormula(c.getFormula().get(0)); + chemComp.setMonNstdParentCompId(c.getMonNstdParentCompId().get(0)); + chemComp.setPdbxSynonyms(c.getPdbxSynonyms().get(0)); + chemComp.setPdbxFormalCharge(c.getPdbxFormalCharge().get(0)); + chemComp.setPdbxInitialDate(c.getPdbxInitialDate().get(0)); + chemComp.setPdbxModifiedDate(c.getPdbxModifiedDate().get(0)); + chemComp.setPdbxAmbiguousFlag(c.getPdbxAmbiguousFlag().get(0)); + chemComp.setPdbxReleaseStatus(c.getPdbxReleaseStatus().get(0)); + chemComp.setPdbxReplacedBy(c.getPdbxReplacedBy().get(0)); + chemComp.setPdbxReplaces(c.getPdbxReplaces().get(0)); + chemComp.setFormulaWeight(c.getFormulaWeight().get(0)); + chemComp.setOneLetterCode(c.getOneLetterCode().get(0)); + chemComp.setThreeLetterCode(c.getThreeLetterCode().get(0)); + chemComp.setPdbxModelCoordinatesDetails(c.getPdbxModelCoordinatesDetails().get(0)); + chemComp.setPdbxModelCoordinatesMissingFlag(c.getPdbxModelCoordinatesMissingFlag().get(0)); + chemComp.setPdbxIdealCoordinatesDetails(c.getPdbxIdealCoordinatesDetails().get(0)); + chemComp.setPdbxIdealCoordinatesMissingFlag(c.getPdbxIdealCoordinatesMissingFlag().get(0)); + chemComp.setPdbxModelCoordinatesDbCode(c.getPdbxModelCoordinatesDbCode().get(0)); + chemComp.setPdbxSubcomponentList(c.getPdbxSubcomponentList().get(0)); + chemComp.setPdbxProcessingSite(c.getPdbxProcessingSite().get(0)); + if (chemComp.getId() == null) { + logger.warn("chem comp ID == null {}", c); + } + latestChemCompId = chemComp.getId(); + dictionary.addChemComp(chemComp); + } + + @Override + public void consumeChemCompAtom(ChemCompAtom atom) { + for (int i = 0; i < atom.getRowCount(); i++) { + org.biojava.nbio.structure.chem.ChemCompAtom a = new org.biojava.nbio.structure.chem.ChemCompAtom(); + a.setCompId(atom.getCompId().get(i)); + a.setAtomId(atom.getAtomId().get(i)); + a.setAltAtomId(atom.getAltAtomId().get(i)); + a.setTypeSymbol(atom.getTypeSymbol().get(i)); + a.setCharge(atom.getCharge().get(i)); + a.setPdbxAlign(atom.getPdbxAlign().get(i)); + a.setPdbxAromaticFlag(atom.getPdbxAromaticFlag().get(i)); + a.setPdbxLeavingAtomFlag(atom.getPdbxLeavingAtomFlag().get(i)); + a.setPdbxStereoConfig(atom.getPdbxStereoConfig().get(i)); + a.setModelCartnX(atom.getModelCartnX().get(i)); + a.setModelCartnY(atom.getModelCartnY().get(i)); + a.setModelCartnZ(atom.getModelCartnZ().get(i)); + a.setPdbxModelCartnXIdeal(atom.getPdbxModelCartnXIdeal().get(i)); + a.setPdbxModelCartnYIdeal(atom.getPdbxModelCartnYIdeal().get(i)); + a.setPdbxModelCartnZIdeal(atom.getPdbxModelCartnZIdeal().get(i)); + a.setPdbxComponentAtomId(atom.getPdbxComponentAtomId().get(i)); + a.setPdbxComponentCompId(atom.getPdbxComponentCompId().get(i)); + a.setPdbxOrdinal(atom.getPdbxOrdinal().get(i)); + dictionary.getChemComp(latestChemCompId).getAtoms().add(a); + } + } + + @Override + public void consumeChemCompBond(ChemCompBond bond) { + for (int i = 0; i < bond.getRowCount(); i++) { + org.biojava.nbio.structure.chem.ChemCompBond b = new org.biojava.nbio.structure.chem.ChemCompBond(); + b.setAtomId1(bond.getAtomId1().get(i)); + b.setAtomId2(bond.getAtomId2().get(i)); + b.setCompId(bond.getCompId().get(i)); + b.setPdbxAromaticFlag(bond.getPdbxAromaticFlag().get(i)); + b.setPdbxOrdinal(bond.getPdbxOrdinal().get(i)); + b.setPdbxStereoConfig(bond.getPdbxStereoConfig().get(i)); + b.setValueOrder(bond.getValueOrder().get(i)); + dictionary.getChemComp(latestChemCompId).getBonds().add(b); + } + } + + @Override + public void prepare() { + + } + + @Override + public void finish() { + + } + + @Override + public ChemicalComponentDictionary getContainer() { + return dictionary; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java new file mode 100644 index 0000000000..d234d27dc4 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java @@ -0,0 +1,79 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.chem.ChemicalComponentDictionary; +import org.biojava.nbio.structure.io.FileParsingParameters; +import org.rcsb.cif.CifIO; +import org.rcsb.cif.model.CifFile; +import org.rcsb.cif.schema.StandardSchemata; +import org.rcsb.cif.schema.mm.MmCifBlock; +import org.rcsb.cif.schema.mm.MmCifFile; + +import java.io.IOException; +import java.io.InputStream; +import java.net.URL; +import java.nio.file.Files; +import java.nio.file.Path; + +/** + * Convert CifFiles to chem comps. + * @author Sebastian Bittrich + * @since 6.0.0 + */ +public class ChemCompConverter { + /** + * Read data from a file and convert to chem comp dictionary. + * @param path the source of information - can be gzipped or binary or text data + * @return the target + */ + public static ChemicalComponentDictionary fromPath(Path path) throws IOException { + return fromInputStream(Files.newInputStream(path)); + } + + /** + * Get data from a URL and convert to chem comp dictionary. + * @param url the source of information - can be gzipped or binary or text data + * @return the target + * @throws IOException thrown when reading fails + */ + public static ChemicalComponentDictionary fromURL(URL url) throws IOException { + return fromInputStream(url.openStream()); + } + + /** + * Convert InputStream to chem comp dictionary. + * @param inputStream the InputStream of information - can be gzipped or binary or text data + * @return the target + * @throws IOException thrown when reading fails + * @see StructureConverter#fromInputStream(InputStream, FileParsingParameters) + */ + public static ChemicalComponentDictionary fromInputStream(InputStream inputStream) throws IOException { + return fromCifFile(CifIO.readFromInputStream(inputStream)); + } + + /** + * Convert CifFile to chem comp dictionary. + * @param cifFile the source + * @return the target + */ + public static ChemicalComponentDictionary fromCifFile(CifFile cifFile) { + // initialize consumer + ChemCompConsumer consumer = new ChemCompConsumerImpl(); + + // init structure + consumer.prepare(); + + // feed individual categories to consumer + MmCifFile mmCifFile = cifFile.as(StandardSchemata.MMCIF); + for (MmCifBlock cifBlock : mmCifFile.getBlocks()) { + consumer.consumeChemComp(cifBlock.getChemComp()); + consumer.consumeChemCompAtom(cifBlock.getChemCompAtom()); + consumer.consumeChemCompBond(cifBlock.getChemCompBond()); + } + + // prepare structure to be retrieved + consumer.finish(); + + return consumer.getContainer(); + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumer.java new file mode 100644 index 0000000000..d76d91d1e7 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumer.java @@ -0,0 +1,11 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.chem.MetalBondDistance; +import org.rcsb.cif.model.Category; + +import java.util.List; +import java.util.Map; + +public interface MetalBondConsumer extends CifFileConsumer>> { + void consume(Category category); +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java new file mode 100644 index 0000000000..28833bc559 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java @@ -0,0 +1,55 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.chem.MetalBondDistance; +import org.rcsb.cif.model.Category; +import org.rcsb.cif.model.FloatColumn; +import org.rcsb.cif.model.StrColumn; + +import java.util.ArrayList; +import java.util.HashMap; +import java.util.List; +import java.util.Map; + +/** + * Created by andreas on 6/9/16. + */ +public class MetalBondConsumerImpl implements MetalBondConsumer { + private final Map> definitions = new HashMap<>(); + + @Override + public void prepare() { + definitions.clear(); + } + + @Override + public void finish() { + // minimize memory consumption + for (List d : definitions.values()){ + ((ArrayList) d).trimToSize(); + } + } + + @Override + public void consume(Category category) { + StrColumn atomType1 = (StrColumn) category.getColumn(""); + StrColumn atomType2 = (StrColumn) category.getColumn(""); + FloatColumn lowerLimit = (FloatColumn) category.getColumn(""); + FloatColumn upperLimit = (FloatColumn) category.getColumn(""); + for (int i = 0; i < category.getRowCount(); i++) { + MetalBondDistance d = new MetalBondDistance(); + + d.setAtomType1(atomType1.get(i)); + d.setAtomType2(atomType2.get(i)); + d.setLowerLimit((float) lowerLimit.get(i)); + d.setUpperLimit((float) upperLimit.get(i)); + + List defs = definitions.computeIfAbsent(d.getAtomType1(), k -> new ArrayList<>()); + defs.add(d); + } + } + + @Override + public Map> getContainer(){ + return definitions; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConverter.java new file mode 100644 index 0000000000..0f28fe6493 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConverter.java @@ -0,0 +1,60 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.chem.MetalBondDistance; +import org.rcsb.cif.CifIO; +import org.rcsb.cif.model.Block; +import org.rcsb.cif.model.CifFile; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; + +import java.io.InputStream; +import java.util.List; +import java.util.Map; + +/** + * Created by andreas on 6/6/16. + */ +public class MetalBondConverter { + private static final Logger logger = LoggerFactory.getLogger(MetalBondConverter.class); + private static final String BONDS_FILE = "org/biojava/nbio/structure/bond_distance_limits.cif.gz"; + private static Map> definitions; + + static { + definitions = init(); + } + + public static Map> getMetalBondDefinitions() { + return definitions; + } + + private static Map> init() { + InputStream inputStream = MetalBondConverter.class.getClassLoader().getResourceAsStream(BONDS_FILE); + + if (inputStream == null) { + throw new RuntimeException("Could not find resource " + BONDS_FILE + ". This probably means that your " + + "biojava.jar file is corrupt or incorrectly built."); + } + + try { + CifFile cifFile = CifIO.readFromInputStream(inputStream); + // initialize consumer + MetalBondConsumerImpl consumer = new MetalBondConsumerImpl(); + + // init structure + consumer.prepare(); + + // feed individual categories to consumer + for (Block cifBlock : cifFile.getBlocks()) { + cifBlock.categories().forEach(consumer::consume); + } + + // prepare structure to be retrieved + consumer.finish(); + + return consumer.getContainer(); + } catch (Exception e) { + logger.error(e.getMessage(), e); + } + return null; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java index 6a952029ee..d858536847 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java @@ -24,6 +24,7 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.io.BondMaker; import org.biojava.nbio.structure.io.ChargeAdder; import org.biojava.nbio.structure.io.EntityFinder; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConverter.java similarity index 97% rename from biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java rename to biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConverter.java index 2a53746297..45a5b97c76 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConverter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConverter.java @@ -18,9 +18,9 @@ /** * Convert BioJava structures to CifFiles and vice versa. * @author Sebastian Bittrich - * @since 5.3.0 + * @since 6.0.0 */ -public class CifFileConverter { +public class StructureConverter { /** * Read data from a file and convert to Structure without any FileParsingParameters. * @param path the source of information - can be gzipped or binary or text data @@ -66,7 +66,7 @@ private static Structure fromURL(URL url, FileParsingParameters parameters) thro * @param inputStream the InputStream of information - can be gzipped or binary or text data * @return the target * @throws IOException thrown when reading fails - * @see CifFileConverter#fromInputStream(InputStream, FileParsingParameters) + * @see StructureConverter#fromInputStream(InputStream, FileParsingParameters) */ public static Structure fromInputStream(InputStream inputStream) throws IOException { return fromInputStream(inputStream, new FileParsingParameters()); @@ -87,7 +87,7 @@ public static Structure fromInputStream(InputStream inputStream, FileParsingPara * Convert CifFile to Structure without any FileParsingParameters. * @param cifFile the source * @return the target - * @see CifFileConverter#fromCifFile(CifFile, FileParsingParameters) + * @see StructureConverter#fromCifFile(CifFile, FileParsingParameters) */ public static Structure fromCifFile(CifFile cifFile) { return fromCifFile(cifFile, new FileParsingParameters()); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index 0a6cd9739c..0f1394424a 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -48,10 +48,10 @@ import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.chem.ChemCompTools; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; import org.biojava.nbio.structure.secstruc.DSSPParser; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/ChemCompTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/ChemCompTest.java index fd37644fd4..c937ad0978 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/ChemCompTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/ChemCompTest.java @@ -20,13 +20,13 @@ */ package org.biojava.nbio.structure; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.ChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.ReducedChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.chem.ResidueType; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; +import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ChemCompProvider; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; +import org.biojava.nbio.structure.chem.PolymerType; +import org.biojava.nbio.structure.chem.ReducedChemCompProvider; +import org.biojava.nbio.structure.chem.ResidueType; import org.junit.Test; import static org.junit.Assert.*; @@ -69,9 +69,9 @@ public void testMEA(){ assertTrue(" is not mea" , cc.getId().equals(chemID)); - assertEquals(" one letter code is not correct", "F", cc.getOne_letter_code()); + assertEquals(" one letter code is not correct", "F", cc.getOneLetterCode()); - assertEquals("MEA",cc.getThree_letter_code()); + assertEquals("MEA",cc.getThreeLetterCode()); assertNotNull(cc.getPolymerType()); @@ -141,7 +141,7 @@ public void testChangingProviders(){ assertTrue(" is not mea" , cc.getId().equals(chemID)); - assertEquals("MEA",cc.getThree_letter_code()); + assertEquals("MEA",cc.getThreeLetterCode()); @@ -157,7 +157,7 @@ public void testChangingProviders(){ assertTrue(" is not mea" , cc.getId().equals(chemID)); - assertEquals("MEA",cc.getThree_letter_code()); + assertEquals("MEA",cc.getThreeLetterCode()); // now we change to reduced chem comp provider ChemCompGroupFactory.setChemCompProvider(new ReducedChemCompProvider()); @@ -169,7 +169,7 @@ public void testChangingProviders(){ assertTrue(" is not mea" , cc.getId().equals(chemID)); //the cached description contains all information even with the ReducedProvider - assertNotNull(cc.getThree_letter_code()); + assertNotNull(cc.getThreeLetterCode()); } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/PdbFileFormat30Test.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/PdbFileFormat30Test.java index 9daf7d7e18..f6968c7af5 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/PdbFileFormat30Test.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/PdbFileFormat30Test.java @@ -23,10 +23,10 @@ package org.biojava.nbio.structure; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ReducedChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileParser; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.ReducedChemCompProvider; import java.io.IOException; import java.io.InputStream; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/Test4hhb.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/Test4hhb.java index afb5de1d59..bcf289cebc 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/Test4hhb.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/Test4hhb.java @@ -26,9 +26,7 @@ import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileParser; -import org.biojava.nbio.structure.io.mmcif.MMcifParser; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; +import org.biojava.nbio.structure.io.cif.StructureConverter; import org.junit.Test; import java.io.IOException; @@ -75,15 +73,9 @@ public void test4hhbPDBFile() throws IOException inStream = new GZIPInputStream(this.getClass().getResourceAsStream("/4hhb.cif.gz")); assertNotNull(inStream); - MMcifParser mmcifpars = new SimpleMMcifParser(); - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); params = new FileParsingParameters(); params.setAlignSeqRes(true); - consumer.setFileParsingParameters(params); - mmcifpars.addMMcifConsumer(consumer); - - mmcifpars.parse(inStream) ; - structure2 = consumer.getStructure(); + structure2 = StructureConverter.fromInputStream(inStream, params); assertNotNull(structure2); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java index d1c6779e7c..3aa86bacd0 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java @@ -21,19 +21,17 @@ package org.biojava.nbio.structure; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.ChemCompBond; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.PolymerType; +import org.biojava.nbio.structure.chem.ResidueType; import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.MMCIFFileTools; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; -import org.biojava.nbio.structure.io.mmcif.chem.ResidueType; -import org.biojava.nbio.structure.io.mmcif.model.AtomSite; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; -import org.biojava.nbio.structure.io.mmcif.model.ChemCompBond; +import org.biojava.nbio.structure.io.cif.StructureConverter; import org.junit.Test; import java.io.BufferedReader; +import java.io.ByteArrayInputStream; import java.io.IOException; import java.io.StringReader; import java.util.ArrayList; @@ -397,10 +395,10 @@ public void testAddBondsDoesntChangeGroups() throws IOException, StructureExcept for (ChemCompBond chemCompBond : aminoChemComp.getBonds()) { // - if(chemCompBond.getAtom_id_1().equals(atomA.getName())){ + if(chemCompBond.getAtomId1().equals(atomA.getName())){ // Get the other atom in the group for(Atom atomB : atomsList) { - if(chemCompBond.getAtom_id_2().equals(atomB.getName())){ + if(chemCompBond.getAtomId2().equals(atomB.getName())){ int bondOrder = chemCompBond.getNumericalBondOrder(); new BondImpl(atomA, atomB, bondOrder); } @@ -641,15 +639,7 @@ public void testMmcifConversionPartialAltlocs() throws IOException { "ATOM 117 N NH2 A ARG A 1 13 ? 7.812 17.972 17.172 0.50 24.80 ? 102 ARG A NH2 1\n" + "ATOM 118 N NH2 B ARG A 1 13 ? 8.013 18.115 17.888 0.50 26.52 ? 102 ARG A NH2 1\n"; - SimpleMMcifParser parser = new SimpleMMcifParser(); - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - parser.addMMcifConsumer(consumer); - - BufferedReader buf = new BufferedReader(new StringReader(mmcifData)); - parser.parse(buf); - buf.close(); - - Structure s = consumer.getStructure(); + Structure s = StructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes())); Chain c = s.getPolyChains().get(0); assertEquals(1, c.getAtomGroups().size()); Group g = c.getAtomGroup(0); @@ -681,8 +671,9 @@ public void testMmcifConversionPartialAltlocs() throws IOException { assertEquals('B', a.getAltLoc().charValue()); } - List atomSites = MMCIFFileTools.convertChainToAtomSites(c, 1, "A", "A"); - assertEquals(17, atomSites.size()); + // TODO reimpl +// List atomSites = MMCIFFileTools.convertChainToAtomSites(c, 1, "A", "A"); +// assertEquals(17, atomSites.size()); } @@ -727,15 +718,7 @@ public void testMmcifConversionAllAltlocs() throws IOException { "ATOM 216 C CD A PRO A 1 23 ? 14.980 32.886 23.580 0.50 6.98 ? 112 PRO A CD 1 \n" + "ATOM 217 C CD B PRO A 1 23 ? 14.558 33.235 23.153 0.50 14.91 ? 112 PRO A CD 1 \n"; - SimpleMMcifParser parser = new SimpleMMcifParser(); - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - parser.addMMcifConsumer(consumer); - - BufferedReader buf = new BufferedReader(new StringReader(mmcifData)); - parser.parse(buf); - buf.close(); - - Structure s = consumer.getStructure(); + Structure s = StructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes())); Chain c = s.getPolyChains().get(0); assertEquals(1, c.getAtomGroups().size()); @@ -751,8 +734,9 @@ public void testMmcifConversionAllAltlocs() throws IOException { assertEquals('B', a.getAltLoc().charValue()); } - List atomSites = MMCIFFileTools.convertChainToAtomSites(c, 1, "A", "A"); - assertEquals(14, atomSites.size()); + // TODO reimpl +// List atomSites = MMCIFFileTools.convertChainToAtomSites(c, 1, "A", "A"); +// assertEquals(14, atomSites.size()); } @@ -816,19 +800,10 @@ public void testIntraResidueBondsBetweenAltlocs() throws IOException { "ATOM 1431 H HE2 B MET A 1 86 ? 7.346 -16.554 -2.998 0.53 23.03 ? 104 MET A HE2 1 \n" + "ATOM 1432 H HE3 B MET A 1 86 ? 6.996 -15.566 -4.437 0.53 23.03 ? 104 MET A HE3 1 "; - SimpleMMcifParser parser = new SimpleMMcifParser(); - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - parser.addMMcifConsumer(consumer); - FileParsingParameters params = new FileParsingParameters(); params.setCreateAtomBonds(true); - consumer.setFileParsingParameters(params); - - BufferedReader buf = new BufferedReader(new StringReader(mmcifData)); - parser.parse(buf); - buf.close(); - Structure s = consumer.getStructure(); + Structure s = StructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes()), params); Chain c = s.getPolyChains().get(0); assertEquals(1, c.getAtomGroups().size()); @@ -971,19 +946,10 @@ public void testInterResidueBondsBetweenAltlocs() throws IOException { "ATOM 1431 H HE2 B MET A 1 2 ? 7.346 -16.554 -2.998 0.53 23.03 ? 104 MET A HE2 1 \n" + "ATOM 1432 H HE3 B MET A 1 2 ? 6.996 -15.566 -4.437 0.53 23.03 ? 104 MET A HE3 1 "; - SimpleMMcifParser parser = new SimpleMMcifParser(); - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - parser.addMMcifConsumer(consumer); - FileParsingParameters params = new FileParsingParameters(); params.setCreateAtomBonds(true); - consumer.setFileParsingParameters(params); - - BufferedReader buf = new BufferedReader(new StringReader(mmcifData)); - parser.parse(buf); - buf.close(); - Structure s = consumer.getStructure(); + Structure s = StructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes()), params); Chain c = s.getPolyChains().get(0); assertEquals(2, c.getAtomGroups().size()); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java index 87fc80a314..d3c61130ae 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java @@ -25,6 +25,7 @@ package org.biojava.nbio.structure; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.LocalPDBDirectory; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; @@ -54,7 +55,7 @@ public void setUp() throws IOException { }; List readers = new ArrayList(); - readers.add(new MMCIFFileReader(cache.getPath()) ); + readers.add(new CifFileReader(cache.getPath()) ); readers.add(new PDBFileReader(cache.getPath()) ); for(LocalPDBDirectory reader : readers) { reader.setFetchBehavior(cache.getFetchBehavior()); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java index d1b7b24122..9a3022d0a1 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java @@ -25,9 +25,9 @@ import java.util.List; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import org.junit.BeforeClass; import org.junit.Test; import org.slf4j.Logger; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestDownloadChemCompProvider.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestDownloadChemCompProvider.java index bc2a8dcd41..3c1b1626db 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestDownloadChemCompProvider.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestDownloadChemCompProvider.java @@ -21,9 +21,9 @@ package org.biojava.nbio.structure; import org.biojava.nbio.core.util.FlatFileCache; +import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.LocalPDBDirectory; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; import org.junit.Test; import static org.junit.Assert.*; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestNucleotides.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestNucleotides.java index dc865eb366..1eb7f88cfa 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestNucleotides.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestNucleotides.java @@ -25,12 +25,12 @@ package org.biojava.nbio.structure; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ChemCompProvider; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; +import org.biojava.nbio.structure.chem.PolymerType; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileReader; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.ChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; import org.junit.BeforeClass; import org.junit.Test; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java index 6ba61088b4..0882ae08a1 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java @@ -51,12 +51,13 @@ import org.biojava.nbio.structure.StructureIdentifier; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.SubstructureIdentifier; +import org.biojava.nbio.structure.chem.ChemComp; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; +import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.LocalPDBDirectory; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; import org.biojava.nbio.structure.scop.ScopDatabase; import org.biojava.nbio.structure.scop.ScopFactory; import org.biojava.nbio.structure.test.util.GlobalsHelper; @@ -203,7 +204,7 @@ public void testNewInstanceWithTilder() throws Exception { public void testFetchBehavior() throws IOException, ParseException { // really more of a LocalPDBDirectory test, but throw it in with AtomCache String pdbId = "1hh0"; // A small structure, since we download it multiple times - LocalPDBDirectory reader = new MMCIFFileReader(cache.getPath()); + LocalPDBDirectory reader = new CifFileReader(cache.getPath()); // delete reader.deleteStructure(pdbId); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java index 79598bd410..72a8fb57a0 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java @@ -28,10 +28,10 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.StructureTools; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import static org.junit.Assert.*; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.junit.Test; import java.io.IOException; @@ -116,7 +116,7 @@ public void testNeighborIndicesFinding() throws StructureException, IOException } } } - + // for (int i = 0; i seqres) { for (Group g : seqres) { ChemComp c = g.getChemComp(); - sb.append(c.getOne_letter_code()); + sb.append(c.getOneLetterCode()); } return sb.toString(); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java index f64d5595a5..31d4b86dd8 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java @@ -44,12 +44,7 @@ import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.mmcif.MMCIFFileTools; -import org.biojava.nbio.structure.io.mmcif.MMcifParser; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; -import org.biojava.nbio.structure.io.mmcif.model.CIFLabel; -import org.biojava.nbio.structure.io.mmcif.model.IgnoreField; +import org.biojava.nbio.structure.io.cif.StructureConverter; import org.junit.Test; public class TestMMCIFWriting { @@ -77,46 +72,6 @@ public void test1A2C() throws IOException, StructureException { testRoundTrip("1A2C"); } - private static class DemoBean { - @IgnoreField - String not_a_field; - - @SuppressWarnings("unused")//used by reflection - String default_field; - - @CIFLabel(label="custom_label") - String custom_field; - - public void setNot_a_field(String not_a_field) { - this.not_a_field = not_a_field; - } - public void setDefault_field(String default_field) { - this.default_field = default_field; - } - public void setCustom_field(String custom_field) { - this.custom_field = custom_field; - } - } - - @Test - public void testBeanAnnotations() { - DemoBean bean = new DemoBean(); - bean.setCustom_field("custom_field"); - bean.setDefault_field(null); - bean.setNot_a_field("not_a_field"); - - - // Test (1) should have custom_label (@CIFLabel) - // (2) shouldn't have not_a_field (@IgnoreField) - String newline = System.getProperty("line.separator"); - String mmcif = MMCIFFileTools.toMMCIF("_demo", bean); - String expected = - "_demo.default_field ?" + newline - + "_demo.custom_label custom_field" + newline - + "#" + newline; - assertEquals(expected, mmcif); - } - private static void testRoundTrip(String pdbId) throws IOException, StructureException { AtomCache cache = new AtomCache(); @@ -138,21 +93,9 @@ private static void testRoundTrip(String pdbId) throws IOException, StructureExc fw.write(originalStruct.toMMCIF()); fw.close(); - - MMcifParser parser = new SimpleMMcifParser(); - - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - FileParsingParameters fileParsingParams = new FileParsingParameters(); fileParsingParams.setAlignSeqRes(true); - - consumer.setFileParsingParameters(fileParsingParams); - - parser.addMMcifConsumer(consumer); - - parser.parse(new BufferedReader(new FileReader(outputFile))); - - Structure readStruct = consumer.getStructure(); + Structure readStruct = StructureConverter.fromPath(outputFile.toPath(), params); assertNotNull(readStruct); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMmCIFSpecialCases.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMmCIFSpecialCases.java deleted file mode 100644 index 95bb0c29b9..0000000000 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMmCIFSpecialCases.java +++ /dev/null @@ -1,82 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.io; - -//import static org.junit.Assert.*; - -import java.io.BufferedReader; -import java.io.IOException; -import java.io.StringReader; - -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; -import org.junit.Test; - -public class TestMmCIFSpecialCases { - - /** - * This tests for cases where dots appear in integer fields. - * Unusual but it happens in some PDB entries like 1s32 - * See issue https://github.com/biojava/biojava/issues/368 - * @throws IOException - */ - @Test - public void testDotsInIntFields() throws IOException { - - // taken from 1s32 - String mmcifStr = - "data_\n" + - "loop_\n" + - "_struct_ref_seq_dif.align_id\n" + - "_struct_ref_seq_dif.pdbx_pdb_id_code\n"+ - "_struct_ref_seq_dif.mon_id\n"+ - "_struct_ref_seq_dif.pdbx_pdb_strand_id\n"+ - "_struct_ref_seq_dif.seq_num\n"+ // integer field that contains '.' - "_struct_ref_seq_dif.pdbx_seq_db_name\n"+ - "_struct_ref_seq_dif.pdbx_seq_db_accession_code\n"+ - "_struct_ref_seq_dif.db_mon_id\n"+ - "_struct_ref_seq_dif.pdbx_seq_db_seq_num\n"+ - "_struct_ref_seq_dif.details\n"+ - "_struct_ref_seq_dif.pdbx_auth_seq_num\n"+ - "_struct_ref_seq_dif.pdbx_pdb_ins_code\n"+ - "_struct_ref_seq_dif.pdbx_ordinal\n"+ - "1 1S32 . A . GB 30268544 MET 1 'INTIATING METHIONINE' ? ? 1\n"+ - "2 1S32 . E . GB 30268544 MET 1 'INTIATING METHIONINE' ? ? 2\n"+ - "3 1S32 . B . UNP P02304 MET 0 'INTIATING METHIONINE' ? ? 3\n"+ - "4 1S32 . F . UNP P02304 MET 0 'INTIATING METHIONINE' ? ? 4\n"+ - "5 1S32 . C . GB 30268540 MET 1 'INTIATING METHIONINE' ? ? 5\n"+ - "6 1S32 . G . GB 30268540 MET 1 'INTIATING METHIONINE' ? ? 6\n"+ - "7 1S32 . D . GB 30268542 MET 1 'INTIATING METHIONINE' ? ? 7\n"+ - "8 1S32 . H . GB 30268542 MET 1 'INTIATING METHIONINE' ? ? 8" ; - - SimpleMMcifParser parser = new SimpleMMcifParser(); - - BufferedReader buf = new BufferedReader(new StringReader(mmcifStr)); - - parser.parse(buf); - - buf.close(); - - // nothing to assert, the test just makes sure it doesn't throw an exception - - - } - -} diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java index 2e9ecc6140..b0c7c8fe55 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java @@ -38,9 +38,7 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.mmcif.MMcifParser; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; +import org.biojava.nbio.structure.io.cif.StructureConverter; import org.biojava.nbio.structure.xtal.CrystalCell; import org.junit.Test; @@ -207,20 +205,10 @@ private void checkChains(Structure s) { @Test public void testPhenixCifFile() throws IOException { InputStream inStream = new GZIPInputStream(this.getClass().getResourceAsStream("/org/biojava/nbio/structure/io/4lup_phenix_output.cif.gz")); - MMcifParser parser = new SimpleMMcifParser(); - - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); FileParsingParameters fileParsingParams = new FileParsingParameters(); fileParsingParams.setAlignSeqRes(true); - - consumer.setFileParsingParameters(fileParsingParams); - - parser.addMMcifConsumer(consumer); - - parser.parse(new BufferedReader(new InputStreamReader(inStream))); - - Structure s = consumer.getStructure(); + Structure s = StructureConverter.fromInputStream(inStream, fileParsingParams); assertNotNull(s); @@ -344,12 +332,7 @@ public void testNewLigandChain() throws IOException { int expectedNumLigands = 1; assertEquals(expectedNumLigands, c1.getAtomGroups().size()); - MMcifParser mmcifpars = new SimpleMMcifParser(); - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - consumer.setFileParsingParameters(params); - mmcifpars.addMMcifConsumer(consumer); - mmcifpars.parse(cifStream) ; - Structure s2 = consumer.getStructure(); + Structure s2 = StructureConverter.fromInputStream(cifStream, params); // The chain B should be present with 1 ligand HEM Chain c2 = s2.getNonPolyChainsByPDB("B").get(0); @@ -389,11 +372,7 @@ public void testWaterOnlyChainCif() throws IOException { // following file is cut-down versions of 4a10 InputStream cifStream = new GZIPInputStream(this.getClass().getResourceAsStream("/org/biojava/nbio/structure/io/4a10_short.cif.gz")); - MMcifParser mmcifpars = new SimpleMMcifParser(); - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - mmcifpars.addMMcifConsumer(consumer); - mmcifpars.parse(cifStream) ; - Structure s2 = consumer.getStructure(); + Structure s2 = StructureConverter.fromInputStream(cifStream); assertEquals(2, s2.getChains().size()); @@ -451,13 +430,7 @@ public void testStructureWithBranchedEntities() throws IOException { URL url = new URL("https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/examples/models/1B5F-carb.cif"); InputStream inStream = url.openStream(); - MMcifParser parser = new SimpleMMcifParser(); - - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - parser.addMMcifConsumer(consumer); - parser.parse(new BufferedReader(new InputStreamReader(inStream))); - - Structure structure = consumer.getStructure(); + Structure structure = StructureConverter.fromInputStream(inStream); assertEquals(7, structure.getEntityInfos().size()); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java index c97aed8d88..2a997118f2 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java @@ -31,9 +31,9 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.chem.PolymerType; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; +import org.biojava.nbio.structure.chem.PolymerType; import org.junit.Test; /** diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestChemCompProvider.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestChemCompProvider.java index 4791f21fe7..89af60dc65 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestChemCompProvider.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestChemCompProvider.java @@ -33,6 +33,8 @@ import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.align.util.UserConfiguration; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ZipChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileReader; import org.junit.Test; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java index 780aad41c4..94a9a18fa5 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java @@ -30,6 +30,8 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; import org.junit.Test; /** diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java index ab5268578c..9e850585b6 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java @@ -20,6 +20,8 @@ */ package org.biojava.nbio.structure.io.mmtf; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.junit.Test; import static org.junit.Assert.*; @@ -36,8 +38,6 @@ import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; /** * Test bond finding in BioJava diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java index f787b1e908..96f9dd8c43 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java @@ -39,12 +39,10 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.MMcifParser; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifConsumer; -import org.biojava.nbio.structure.io.mmcif.SimpleMMcifParser; +import org.biojava.nbio.structure.io.cif.StructureConverter; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; import org.junit.Test; @@ -76,7 +74,7 @@ public void testRoundTrip() throws IOException, StructureException { params.setParseBioAssembly(true); cache.setFileParsingParams(params); cache.setUseMmCif(true); - + StructureIO.setAtomCache(cache); ChemCompGroupFactory.setChemCompProvider(new DownloadChemCompProvider()); @@ -146,11 +144,11 @@ private boolean checkIfAtomsSame(Structure structOne, Structure structTwo) { System.out.println(groupTwo.getPDBName() + " and type: "+groupTwo.getType());; } // Check the single letter amino acid is correct - if(groupOne.getChemComp().getOne_letter_code().length()==1 && groupTwo.getChemComp().getOne_letter_code().length()==1){ - if(!groupOne.getChemComp().getOne_letter_code().equals(groupTwo.getChemComp().getOne_letter_code())){ + if(groupOne.getChemComp().getOneLetterCode().length()==1 && groupTwo.getChemComp().getOneLetterCode().length()==1){ + if(!groupOne.getChemComp().getOneLetterCode().equals(groupTwo.getChemComp().getOneLetterCode())){ System.out.println(groupOne.getPDBName()); } - assertEquals(groupOne.getChemComp().getOne_letter_code(), groupTwo.getChemComp().getOne_letter_code()); + assertEquals(groupOne.getChemComp().getOneLetterCode(), groupTwo.getChemComp().getOneLetterCode()); } assertEquals(groupOne.getType(), groupTwo.getType()); assertEquals(groupOne.getPDBName(), groupTwo.getPDBName()); @@ -307,7 +305,7 @@ private void checkSeqresGroups(Chain chainOne, Chain chainTwo) { Group gTwo = chainTwo.getSeqResGroup(i); assertNotNull(gOne.getChemComp()); assertNotNull(gTwo.getChemComp()); - assertEquals(gOne.getChemComp().getOne_letter_code(), gTwo.getChemComp().getOne_letter_code()); + assertEquals(gOne.getChemComp().getOneLetterCode(), gTwo.getChemComp().getOneLetterCode()); assertEquals(gOne.getResidueNumber(), gTwo.getResidueNumber()); //assertEquals(gOne.getPDBName(), gTwo.getPDBName()); @@ -361,13 +359,7 @@ public void testStructWithBranchedEntitiesRoundTrip() throws IOException { URL url = new URL("https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/examples/models/1B5F-carb.cif"); InputStream inStream = url.openStream(); - MMcifParser parser = new SimpleMMcifParser(); - - SimpleMMcifConsumer consumer = new SimpleMMcifConsumer(); - parser.addMMcifConsumer(consumer); - parser.parse(new BufferedReader(new InputStreamReader(inStream))); - - Structure structure = consumer.getStructure(); + Structure structure = StructureConverter.fromInputStream(inStream); AdapterToStructureData writerToEncoder = new AdapterToStructureData(); new MmtfStructureWriter(structure, writerToEncoder); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java index ac2d81e8d5..0bed40a6be 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java @@ -11,16 +11,16 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import org.junit.Ignore; import org.junit.Test; import static org.junit.Assert.*; /** * Test the Biojava MMTF reader. - * + * * @author Anthony Bradley * @author Aleix Lafita * @@ -32,50 +32,50 @@ public class TestMmtfStructureReader { */ @Test public void testRead() throws IOException { - + // Get the MMTF file from the resources folder ClassLoader classLoader = getClass().getClassLoader(); String resource = "org/biojava/nbio/structure/io/mmtf/4CUP.mmtf"; - + // Load the structure into memory Structure structure = MmtfActions.readFromFile(( Paths.get(classLoader.getResource(resource).getPath()))); - + // Check header properties of the structure assertEquals(structure.getPDBCode(), "4CUP"); - assertEquals(MmtfUtils.dateToIsoString(structure.getPDBHeader().getDepDate()), + assertEquals(MmtfUtils.dateToIsoString(structure.getPDBHeader().getDepDate()), "2014-03-21"); - + assertEquals(structure.getChains().size(), 6); } - + /** * Compare structures loaded from MMCIF and MMTF files. */ @Test public void compareMmcif() throws IOException, StructureException { - + // Get the MMTF and MMCIF files from the resources folder ClassLoader classLoader = getClass().getClassLoader(); String resource = "org/biojava/nbio/structure/io/mmtf/4CUP"; - + // Load the structures into memory Structure mmtf = MmtfActions.readFromFile(( Paths.get(classLoader.getResource(resource + ".mmtf").getPath()))); Structure mmcif = StructureIO.getStructure(classLoader.getResource(resource + ".cif").getPath()); - + // Compare the dates of the structure - assertEquals(mmcif.getPDBHeader().getDepDate(), + assertEquals(mmcif.getPDBHeader().getDepDate(), mmtf.getPDBHeader().getDepDate()); - + // Compare the experimental method - assertEquals(mmcif.getPDBHeader().getExperimentalTechniques(), + assertEquals(mmcif.getPDBHeader().getExperimentalTechniques(), mmtf.getPDBHeader().getExperimentalTechniques()); - + // Compare the SEQRES, see issue https://github.com/biojava/biojava/issues/671 - assertEquals(mmcif.getChainByIndex(0).getSeqResSequence(), + assertEquals(mmcif.getChainByIndex(0).getSeqResSequence(), mmtf.getChainByIndex(0).getSeqResSequence()); - + } /** diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureWriter.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureWriter.java index 6f98b250d3..efc9929916 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureWriter.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureWriter.java @@ -37,7 +37,7 @@ import org.biojava.nbio.structure.ResidueNumber; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureImpl; -import org.biojava.nbio.structure.io.mmcif.model.ChemComp; +import org.biojava.nbio.structure.chem.ChemComp; import org.junit.Rule; import org.junit.Test; import static org.junit.Assert.*; @@ -95,7 +95,7 @@ public void testWrite() throws IOException { group.setPDBName("FKF"); ChemComp chemComp = new ChemComp(); chemComp.setType("TYPfdl"); - chemComp.setOne_letter_code("A"); + chemComp.setOneLetterCode("A"); group.setChemComp(chemComp); // Create one Atom diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/redmine/Test1DARSeqAlign.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/redmine/Test1DARSeqAlign.java index 4f351d3c74..0aefbc5713 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/redmine/Test1DARSeqAlign.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/redmine/Test1DARSeqAlign.java @@ -23,10 +23,10 @@ import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ChemCompProvider; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.ChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import org.junit.Test; import static org.junit.Assert.*; @@ -50,7 +50,7 @@ public void test1DAR() throws StructureException, IOException { boolean usingReducedChemCompProvider = false; - ChemCompProvider ccp =ChemCompGroupFactory.getChemCompProvider(); + ChemCompProvider ccp = ChemCompGroupFactory.getChemCompProvider(); if (ccp.getClass().getName().contains("ReducedChemCompProvider") ) { usingReducedChemCompProvider = true; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/test/util/GlobalsHelper.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/test/util/GlobalsHelper.java index 9d7e5ae57d..0d5766d8f9 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/test/util/GlobalsHelper.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/test/util/GlobalsHelper.java @@ -28,9 +28,9 @@ import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.ChemCompProvider; -import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; +import org.biojava.nbio.structure.chem.ChemCompGroupFactory; +import org.biojava.nbio.structure.chem.ChemCompProvider; +import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.scop.ScopDatabase; import org.biojava.nbio.structure.scop.ScopFactory; From b992e74865f878dd054e367e1a3bb05ae6897707 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Mon, 25 Jan 2021 11:14:35 -0800 Subject: [PATCH 240/821] metal parsing --- .../nbio/structure/io/cif/MetalBondConsumerImpl.java | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java index 28833bc559..d9d03a9590 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java @@ -31,10 +31,10 @@ public void finish() { @Override public void consume(Category category) { - StrColumn atomType1 = (StrColumn) category.getColumn(""); - StrColumn atomType2 = (StrColumn) category.getColumn(""); - FloatColumn lowerLimit = (FloatColumn) category.getColumn(""); - FloatColumn upperLimit = (FloatColumn) category.getColumn(""); + StrColumn atomType1 = (StrColumn) category.getColumn("atom_type_1"); + StrColumn atomType2 = (StrColumn) category.getColumn("atom_type_2"); + FloatColumn lowerLimit = (FloatColumn) category.getColumn("lower_limit"); + FloatColumn upperLimit = (FloatColumn) category.getColumn("upper_limit"); for (int i = 0; i < category.getRowCount(); i++) { MetalBondDistance d = new MetalBondDistance(); From 61bd8e8f51479951d4dd13b661f58b0f9c56c0b9 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Mon, 25 Jan 2021 12:50:40 -0800 Subject: [PATCH 241/821] new filetype param --- .../structure/test/StructureToolsTest.java | 4 +- .../biojava/nbio/structure/test/Test1o2f.java | 3 +- .../test/io/TestAtomCachePerformance.java | 5 +- .../structure/test/io/TestBioassemblies.java | 9 +- .../test/io/TestCrystallographicMetadata.java | 7 +- .../test/io/TestLongPdbVsMmCifParsing.java | 4 +- .../io/TestStructWithMultiparentChemComp.java | 3 +- .../TestQuatSymmetryDetectorExamples.java | 9 +- .../test/xtal/TestCrystalBuilder.java | 17 +- .../main/java/demo/DemoQuatSymmetryJmol.java | 3 +- .../main/java/demo/DemoShowLargeAssembly.java | 3 +- .../src/main/java/demo/DemoAsa.java | 3 +- .../src/main/java/demo/DemoContacts.java | 2 +- .../main/java/demo/DemoCrystalInterfaces.java | 5 +- .../src/main/java/demo/DemoLoadSecStruc.java | 3 +- .../src/main/java/demo/DemoMMCIFReader.java | 5 +- .../nbio/structure/StructureFiletype.java | 36 ++++ .../biojava/nbio/structure/StructureIO.java | 85 ++------ .../biojava/nbio/structure/URLIdentifier.java | 74 +++---- .../nbio/structure/align/util/AtomCache.java | 198 +++++++----------- .../align/util/UserConfiguration.java | 166 ++++++--------- .../biojava/nbio/structure/chem/ChemComp.java | 3 +- .../nbio/structure/io/mmtf/MmtfUtils.java | 5 +- .../org/biojava/nbio/structure/Test2JA5.java | 4 +- .../biojava/nbio/structure/TestAltLocs.java | 14 +- .../biojava/nbio/structure/TestAtomCache.java | 36 ++-- .../org/biojava/nbio/structure/TestBond.java | 2 +- .../biojava/nbio/structure/TestCloning.java | 2 +- .../structure/TestEntityResIndexMapping.java | 4 +- .../structure/TestExperimentalTechniques.java | 16 +- .../structure/TestLoadStructureFromURL.java | 3 +- .../nbio/structure/TestParsingCalcium.java | 2 +- .../TestStructureCrossReferences.java | 8 +- .../structure/align/util/AtomCacheTest.java | 5 +- .../structure/io/TestDifficultMmCIFFiles.java | 13 +- .../nbio/structure/io/TestHardBioUnits.java | 4 +- .../nbio/structure/io/TestHeaderOnly.java | 9 +- .../nbio/structure/io/TestMMCIFWriting.java | 3 +- .../io/TestMMcifOrganismParsing.java | 3 +- .../structure/io/TestNonDepositedFiles.java | 3 +- .../structure/io/TestParseMmCIFFeatures.java | 9 +- .../structure/io/TestParseMmCIFLigands.java | 9 +- .../nbio/structure/io/TestParseOnAsymId.java | 3 +- .../io/TestQuaternaryStructureProviders.java | 8 +- .../nbio/structure/io/TestTitleParsing.java | 5 +- .../io/TestWriteLargeCoordinatePDB.java | 3 +- .../io/mmcif/TestChemCompProvider.java | 6 +- .../io/mmcif/TestEntityNameAndType.java | 3 +- .../io/mmcif/TestParseInternalChainId.java | 3 +- .../io/mmcif/TestParseMmcifHeader.java | 3 +- .../structure/io/mmtf/TestBondFinding.java | 3 +- .../structure/io/mmtf/TestMmtfRoundTrip.java | 3 +- .../io/mmtf/TestMmtfStructureReader.java | 4 +- .../nbio/structure/xtal/TestCrystalInfo.java | 16 +- .../xtal/TestInterfaceClustering.java | 5 +- 55 files changed, 392 insertions(+), 474 deletions(-) create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/StructureFiletype.java diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java index 170694a6e2..510b071200 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java @@ -186,12 +186,12 @@ public void testCAmmCIF() throws StructureException { //mmCIF files left justify their atom names (eg "CA "), so can have different behavior AtomCache pdbCache = new AtomCache(); - pdbCache.setUseMmCif(false); + pdbCache.setFiletype(StructureFiletype.PDB); FileParsingParameters params = new FileParsingParameters(); pdbCache.setFileParsingParams(params); AtomCache mmcifCache = new AtomCache(); - mmcifCache.setUseMmCif(true); + mmcifCache.setFiletype(StructureFiletype.CIF); FileParsingParameters params2 = new FileParsingParameters(); mmcifCache.setFileParsingParams(params2); diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1o2f.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1o2f.java index 7acde4166e..af1ec695f7 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1o2f.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1o2f.java @@ -22,6 +22,7 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; @@ -38,7 +39,7 @@ public class Test1o2f { @Before public void setUp() throws Exception { AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); cache.setFetchBehavior(FetchBehavior.FETCH_FILES); StructureIO.setAtomCache(cache); String pdbId = "1O2F"; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestAtomCachePerformance.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestAtomCachePerformance.java index 7df8c8bb10..03bf297484 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestAtomCachePerformance.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestAtomCachePerformance.java @@ -22,6 +22,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.junit.BeforeClass; @@ -94,14 +95,14 @@ public void testDownload() throws IOException, StructureException { } private Structure getCifStructure(String pdbId) throws IOException, StructureException { - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); return cache.getStructure(pdbId); } private Structure getPdbStructure(String pdbId) throws IOException, StructureException { - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); return cache.getStructure(pdbId); diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestBioassemblies.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestBioassemblies.java index 23a73a7ae8..001dd5434e 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestBioassemblies.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestBioassemblies.java @@ -28,6 +28,7 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; @@ -47,7 +48,7 @@ public void test1E17() throws IOException, StructureException { AtomCache prevAtomCache = StructureIO.getAtomCache(); AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); List multiModelBioAssemblies = StructureIO.getBiologicalAssemblies("1E17", true); @@ -79,7 +80,7 @@ public void test4TTX() throws IOException, StructureException { AtomCache prevAtomCache = StructureIO.getAtomCache(); AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); List multiModelBioAssemblies = StructureIO.getBiologicalAssemblies("4TTX", true); @@ -124,7 +125,7 @@ public void test1M4X() throws IOException, StructureException { AtomCache prevAtomCache = StructureIO.getAtomCache(); AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); Structure flattenedBioAssembly5 = StructureIO.getBiologicalAssembly("1M4X" , 5); @@ -153,7 +154,7 @@ public void test4OPJ() throws IOException, StructureException { AtomCache prevAtomCache = StructureIO.getAtomCache(); AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); List multiModelBioAssemblies = StructureIO.getBiologicalAssemblies("4OPJ", true); diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestCrystallographicMetadata.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestCrystallographicMetadata.java index 26f83b7a28..c41ac34410 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestCrystallographicMetadata.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestCrystallographicMetadata.java @@ -20,6 +20,7 @@ */ package org.biojava.nbio.structure.test.io; +import org.biojava.nbio.structure.StructureFiletype; import org.junit.Test; import static org.junit.Assert.*; @@ -46,7 +47,7 @@ public void test4hhb() throws Exception { AtomCache cache = new AtomCache(); // at the moment implemented only in mmcif - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); Structure s = StructureIO.getStructure("4hhb"); @@ -64,7 +65,7 @@ public void test1smt() throws Exception { AtomCache cache = new AtomCache(); // at the moment implemented only in mmcif - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); Structure s = StructureIO.getStructure("1smt"); @@ -82,7 +83,7 @@ public void test1smt() throws Exception { public void test1zna() throws Exception { AtomCache cache = new AtomCache(); // at the moment implemented only in mmcif - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); Structure s = StructureIO.getStructure("1zna"); diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestLongPdbVsMmCifParsing.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestLongPdbVsMmCifParsing.java index daadcc7023..fc529b75e3 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestLongPdbVsMmCifParsing.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestLongPdbVsMmCifParsing.java @@ -567,7 +567,7 @@ private void testSingleChain(Chain cPdb, Chain cCif) { private Structure getPdbStructure(String pdbId) throws IOException, StructureException { - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); // set parsing params here: params.setAlignSeqRes(true); //params.setLoadChemCompInfo(true); @@ -578,7 +578,7 @@ private Structure getPdbStructure(String pdbId) throws IOException, StructureExc } private Structure getCifStructure(String pdbId) throws IOException, StructureException { - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); // set parsing params here: params.setAlignSeqRes(true); //params.setLoadChemCompInfo(true); diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestStructWithMultiparentChemComp.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestStructWithMultiparentChemComp.java index cbedb5b108..83059e7ea4 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestStructWithMultiparentChemComp.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestStructWithMultiparentChemComp.java @@ -20,6 +20,7 @@ */ package org.biojava.nbio.structure.test.io; +import org.biojava.nbio.structure.StructureFiletype; import org.junit.Test; import static org.junit.Assert.*; @@ -35,7 +36,7 @@ public class TestStructWithMultiparentChemComp { public void test4Q7U() throws Exception { AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); Structure s = StructureIO.getStructure("4q7u"); diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java index b5a8a5a2e1..3c153cde22 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java @@ -27,6 +27,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.align.util.AtomCache; @@ -146,7 +147,7 @@ public void testPseudosymmetry() throws IOException, StructureException { public void testLocal() throws IOException, StructureException { AtomCache atomCache = new AtomCache(); - atomCache.setUseMmtf(true); + atomCache.setFiletype(StructureFiletype.MMTF); List testIds = new ArrayList<>(); List testStoichiometries = new ArrayList<>(); @@ -376,8 +377,7 @@ public void testPseudoIdentity95() throws IOException, StructureException { @Test public void testSymDetectionWithClusteringByEntityId() throws IOException, StructureException { AtomCache cache = new AtomCache(); - cache.setUseMmtf(false); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(true); cache.setFileParsingParams(params); @@ -404,8 +404,7 @@ public void testSymDetectionWithClusteringByEntityId() throws IOException, Struc @Test public void testSymDetectionPerformanceLargeCapsid() throws IOException, StructureException { AtomCache cache = new AtomCache(); - cache.setUseMmtf(false); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(true); params.setParseBioAssembly(true); diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/xtal/TestCrystalBuilder.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/xtal/TestCrystalBuilder.java index 898e108a8e..4851c03ba9 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/xtal/TestCrystalBuilder.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/xtal/TestCrystalBuilder.java @@ -22,6 +22,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.contact.StructureInterfaceList; @@ -46,7 +47,7 @@ public void test1NMR() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s1 = StructureIO.getStructure("1NMR"); CrystalBuilder cb = new CrystalBuilder(s1); @@ -64,7 +65,7 @@ public void test1B8G() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s1 = StructureIO.getStructure("1B8G"); CrystalBuilder cb = new CrystalBuilder(s1); StructureInterfaceList interfaces = cb.getUniqueInterfaces(5.5); @@ -82,7 +83,7 @@ public void test2MFZ() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s1 = StructureIO.getStructure("2MFZ"); CrystalBuilder cb = new CrystalBuilder(s1); StructureInterfaceList interfaces = cb.getUniqueInterfaces(5.5); @@ -99,7 +100,7 @@ public void test4MF8() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s1 = StructureIO.getStructure("4MF8"); CrystalBuilder cb = new CrystalBuilder(s1); StructureInterfaceList interfaces = cb.getUniqueInterfaces(5.5); @@ -112,7 +113,7 @@ public void test1AUY() throws IOException, StructureException { // a virus with NCS operators AtomCache cache = new AtomCache(); StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s1 = StructureIO.getStructure("1AUY"); Map chainNcsOps = new HashMap<>(); @@ -139,7 +140,7 @@ public void test1A37() throws IOException, StructureException { // a smaller structure with NCS operators AtomCache cache = new AtomCache(); StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s1 = StructureIO.getStructure("1A37"); Map chainNcsOps = new HashMap<>(); @@ -164,7 +165,7 @@ public void test2H2Z() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s1 = StructureIO.getStructure("2H2Z"); CrystalBuilder cb = new CrystalBuilder(s1); StructureInterfaceList interfaces = cb.getUniqueInterfaces(5.5); @@ -181,7 +182,7 @@ public void test4HHB() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s1 = StructureIO.getStructure("4HHB"); CrystalBuilder cb = new CrystalBuilder(s1); StructureInterfaceList interfaces = cb.getUniqueInterfaces(5.5); diff --git a/biojava-structure-gui/src/main/java/demo/DemoQuatSymmetryJmol.java b/biojava-structure-gui/src/main/java/demo/DemoQuatSymmetryJmol.java index deadf35e43..674c846d4a 100644 --- a/biojava-structure-gui/src/main/java/demo/DemoQuatSymmetryJmol.java +++ b/biojava-structure-gui/src/main/java/demo/DemoQuatSymmetryJmol.java @@ -22,6 +22,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.cluster.SubunitClustererMethod; import org.biojava.nbio.structure.cluster.SubunitClustererParameters; @@ -65,7 +66,7 @@ public static void main(String[] args) throws IOException, // Download the biological assembly AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure structure = cache.getStructure("BIO:" + name + ":1"); QuatSymmetryParameters sp = new QuatSymmetryParameters(); diff --git a/biojava-structure-gui/src/main/java/demo/DemoShowLargeAssembly.java b/biojava-structure-gui/src/main/java/demo/DemoShowLargeAssembly.java index c626e90f8a..4aa053e70a 100644 --- a/biojava-structure-gui/src/main/java/demo/DemoShowLargeAssembly.java +++ b/biojava-structure-gui/src/main/java/demo/DemoShowLargeAssembly.java @@ -1,6 +1,7 @@ package demo; import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; @@ -77,7 +78,7 @@ public static Structure readStructure(String pdbId, int bioAssemblyId) { // we just need this to track where to store PDB files // this checks the PDB_DIR property (and uses a tmp location if not set) AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters p = cache.getFileParsingParams(); // some bio assemblies are large, we want an all atom representation and avoid diff --git a/biojava-structure/src/main/java/demo/DemoAsa.java b/biojava-structure/src/main/java/demo/DemoAsa.java index caeacbd5d0..1df3d9feeb 100644 --- a/biojava-structure/src/main/java/demo/DemoAsa.java +++ b/biojava-structure/src/main/java/demo/DemoAsa.java @@ -24,6 +24,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.asa.AsaCalculator; @@ -46,7 +47,7 @@ public static void main(String[] args) throws IOException, StructureException { private static void demoAsa(String pdbCode, int numThreads) throws IOException, StructureException { AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); diff --git a/biojava-structure/src/main/java/demo/DemoContacts.java b/biojava-structure/src/main/java/demo/DemoContacts.java index 0d2d95ab82..0eed99e807 100644 --- a/biojava-structure/src/main/java/demo/DemoContacts.java +++ b/biojava-structure/src/main/java/demo/DemoContacts.java @@ -42,7 +42,7 @@ public static void main(String[] args) throws IOException, StructureException { private static void demoContacts(String pdbCode) throws IOException, StructureException { AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); diff --git a/biojava-structure/src/main/java/demo/DemoCrystalInterfaces.java b/biojava-structure/src/main/java/demo/DemoCrystalInterfaces.java index caeef006ed..76fd4f6823 100644 --- a/biojava-structure/src/main/java/demo/DemoCrystalInterfaces.java +++ b/biojava-structure/src/main/java/demo/DemoCrystalInterfaces.java @@ -23,6 +23,7 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.contact.*; import org.biojava.nbio.structure.io.FileParsingParameters; @@ -60,12 +61,10 @@ public class DemoCrystalInterfaces { * @param args */ public static void main(String[] args) throws Exception { - - String pdbCode = "1smt"; AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(true); diff --git a/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java b/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java index 8684ba1257..e0efc501c7 100644 --- a/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java +++ b/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java @@ -25,6 +25,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.secstruc.DSSPParser; @@ -55,7 +56,7 @@ public static void main(String[] args) throws IOException, cache.setFileParsingParams(params); // Use PDB format, because SS cannot be parsed from mmCIF yet - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.CIF); // The loaded Structure contains the SS assigned by Author (simple) Structure s = cache.getStructure(pdbID); diff --git a/biojava-structure/src/main/java/demo/DemoMMCIFReader.java b/biojava-structure/src/main/java/demo/DemoMMCIFReader.java index b94dbd2e19..e6b5eab186 100644 --- a/biojava-structure/src/main/java/demo/DemoMMCIFReader.java +++ b/biojava-structure/src/main/java/demo/DemoMMCIFReader.java @@ -57,15 +57,12 @@ public void loadSimple(){ String pdbId = "4hhb"; AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); - try { Structure s = StructureIO.getStructure(pdbId); - System.out.println(pdbId + " has nr atoms: " + StructureTools.getNrAtoms(s)); - } catch (Exception e){ e.printStackTrace(); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureFiletype.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureFiletype.java new file mode 100644 index 0000000000..6d56257f24 --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureFiletype.java @@ -0,0 +1,36 @@ +package org.biojava.nbio.structure; + +import org.biojava.nbio.structure.io.BcifFileReader; +import org.biojava.nbio.structure.io.CifFileReader; +import org.biojava.nbio.structure.io.MMTFFileReader; +import org.biojava.nbio.structure.io.PDBFileReader; + +import java.util.Collections; +import java.util.List; + +/** + * An enum of supported file formats. + */ +public enum StructureFiletype { + PDB(new PDBFileReader().getExtensions()), + CIF(new CifFileReader().getExtensions()), + BCIF(new BcifFileReader().getExtensions()), + MMTF(new MMTFFileReader().getExtensions()), + UNKNOWN(Collections.emptyList()); + + private final List extensions; + + /** + * @param extensions List of supported extensions, including leading period + */ + StructureFiletype(List extensions) { + this.extensions = extensions; + } + + /** + * @return a list of file extensions associated with this type + */ + public List getExtensions() { + return extensions; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java index e0592dfae3..fb2967b101 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java @@ -20,16 +20,11 @@ */ package org.biojava.nbio.structure; +import org.biojava.nbio.structure.align.util.AtomCache; + import java.io.IOException; -import java.util.Collections; import java.util.List; -import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.BcifFileReader; -import org.biojava.nbio.structure.io.CifFileReader; -import org.biojava.nbio.structure.io.PDBFileReader; -import org.rcsb.cif.binary.BinaryCifReader; - /** * A class that provides static access methods for easy lookup of protein structure related components * @@ -38,12 +33,8 @@ * @since 3.0.5 */ public class StructureIO { - - //private static final Logger logger = LoggerFactory.getLogger(StructureIO.class); - private static AtomCache cache ; - /** * Loads a structure based on a name. Supported naming conventions are: * @@ -94,22 +85,16 @@ public class StructureIO { * @throws StructureException The name appeared valid but did not correspond to a structure. * Also thrown by some submethods upon errors, eg for poorly formatted subranges. */ - public static Structure getStructure(String name) throws IOException, StructureException{ - + public static Structure getStructure(String name) throws IOException, StructureException { checkInitAtomCache(); - // delegate this functionality to AtomCache... - return cache.getStructure(name); - } - private static void checkInitAtomCache() { - if ( cache == null){ + if (cache == null) { cache = new AtomCache(); } - } public static void setAtomCache(AtomCache c){ @@ -121,7 +106,6 @@ public static AtomCache getAtomCache() { return cache; } - /** * Returns the first biological assembly that is available for the given PDB id. *

      @@ -146,15 +130,10 @@ public static AtomCache getAtomCache() { * @throws StructureException * @throws IOException */ - public static Structure getBiologicalAssembly(String pdbId, boolean multiModel) throws IOException, StructureException{ - + public static Structure getBiologicalAssembly(String pdbId, boolean multiModel) throws IOException, StructureException { checkInitAtomCache(); - pdbId = pdbId.toLowerCase(); - - Structure s = cache.getBiologicalAssembly(pdbId, multiModel); - - return s; + return cache.getBiologicalAssembly(pdbId, multiModel); } /** @@ -170,7 +149,7 @@ public static Structure getBiologicalAssembly(String pdbId, boolean multiModel) * @throws StructureException * @throws IOException */ - public static Structure getBiologicalAssembly(String pdbId) throws IOException, StructureException{ + public static Structure getBiologicalAssembly(String pdbId) throws IOException, StructureException { return getBiologicalAssembly(pdbId, AtomCache.DEFAULT_BIOASSEMBLY_STYLE); } @@ -195,14 +174,9 @@ public static Structure getBiologicalAssembly(String pdbId) throws IOException, * @throws IOException */ public static Structure getBiologicalAssembly(String pdbId, int biolAssemblyNr, boolean multiModel) throws IOException, StructureException { - checkInitAtomCache(); - pdbId = pdbId.toLowerCase(); - - Structure s = cache.getBiologicalAssembly(pdbId, biolAssemblyNr, multiModel); - - return s; + return cache.getBiologicalAssembly(pdbId, biolAssemblyNr, multiModel); } /** @@ -218,7 +192,6 @@ public static Structure getBiologicalAssembly(String pdbId, int biolAssemblyNr) return getBiologicalAssembly(pdbId, biolAssemblyNr, AtomCache.DEFAULT_BIOASSEMBLY_STYLE); } - /** * Returns all biological assemblies for the given PDB id. *

      @@ -241,15 +214,9 @@ public static Structure getBiologicalAssembly(String pdbId, int biolAssemblyNr) * @since 5.0 */ public static List getBiologicalAssemblies(String pdbId, boolean multiModel) throws IOException, StructureException { - checkInitAtomCache(); - pdbId = pdbId.toLowerCase(); - - List s = cache.getBiologicalAssemblies(pdbId, multiModel); - - return s; - + return cache.getBiologicalAssemblies(pdbId, multiModel); } /** @@ -267,7 +234,6 @@ public static List getBiologicalAssemblies(String pdbId) throws IOExc return getBiologicalAssemblies(pdbId, AtomCache.DEFAULT_BIOASSEMBLY_STYLE); } - private static final String FILE_SEPARATOR = System.getProperty("file.separator"); /** @@ -275,34 +241,11 @@ public static List getBiologicalAssemblies(String pdbId) throws IOExc * * @param pathToPDBFiles */ - public static void setPdbPath(String pathToPDBFiles){ - - if ( ! pathToPDBFiles.endsWith(FILE_SEPARATOR)) + public static void setPdbPath(String pathToPDBFiles) { + if (!pathToPDBFiles.endsWith(FILE_SEPARATOR)) pathToPDBFiles += FILE_SEPARATOR; } - - public static enum StructureFiletype { - PDB( (new PDBFileReader()).getExtensions()), - CIF(new CifFileReader().getExtensions()), - BCIF(new BcifFileReader().getExtensions()), - UNKNOWN(Collections.emptyList()); - - private List extensions; - /** - * @param extensions List of supported extensions, including leading period - */ - private StructureFiletype(List extensions) { - this.extensions = extensions; - } - /** - * @return a list of file extensions associated with this type - */ - public List getExtensions() { - return extensions; - } - } - /** * Attempts to guess the type of a structure file based on the extension * @param filename @@ -310,9 +253,9 @@ public List getExtensions() { */ public static StructureFiletype guessFiletype(String filename) { String lower = filename.toLowerCase(); - for(StructureFiletype type : StructureFiletype.values()) { - for(String ext : type.getExtensions()) { - if(lower.endsWith(ext.toLowerCase())) { + for (StructureFiletype type : StructureFiletype.values()) { + for (String ext : type.getExtensions()) { + if (lower.endsWith(ext.toLowerCase())) { return type; } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java index a36e93b508..00b624d95f 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java @@ -20,10 +20,11 @@ */ package org.biojava.nbio.structure; -import org.biojava.nbio.structure.StructureIO.StructureFiletype; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.PDBFileReader; import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.mmtf.MmtfActions; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -57,13 +58,11 @@ * */ public class URLIdentifier implements StructureIdentifier { - private static final long serialVersionUID = -5161230822868926035L; - private static final Logger logger = LoggerFactory.getLogger(URLIdentifier.class); // Used for guessing the PDB ID from the filename - private static final Pattern PDBID_REGEX = Pattern.compile("^([0-9][a-z0-9]{3})([._-]|\\s).*",Pattern.CASE_INSENSITIVE); + private static final Pattern PDBID_REGEX = Pattern.compile("^([0-9][a-z0-9]{3})([._-]|\\s).*", Pattern.CASE_INSENSITIVE); /** URL parameter specifying the file format (PDB or CIF) */ public static final String FORMAT_PARAM = "format"; @@ -73,7 +72,8 @@ public class URLIdentifier implements StructureIdentifier { //TODO: should this get renamed to chainname or asymid? public static final String CHAINID_PARAM = "chainid"; - /** URL parameter specifying residue ranges to include, e.g. residues=A:1-70 + /** + * URL parameter specifying residue ranges to include, e.g. residues=A:1-70 * @see SubstructureIdentifier */ public static final String RESIDUES_PARAM = "residues"; @@ -90,6 +90,7 @@ public URLIdentifier(String url) throws MalformedURLException { public URL getURL() { return url; } + @Override public String getIdentifier() { return url.toString(); @@ -104,20 +105,20 @@ public SubstructureIdentifier toCanonical() { List ranges = Collections.emptyList(); try { Map params = parseQuery(url); - if(params.containsKey(PDBID_PARAM)) { + if (params.containsKey(PDBID_PARAM)) { pdbId = params.get(PDBID_PARAM); } - if(params.containsKey(RESIDUES_PARAM)) { + if (params.containsKey(RESIDUES_PARAM)) { ranges = ResidueRange.parseMultiple(params.get(RESIDUES_PARAM)); - } else if(params.containsKey(CHAINID_PARAM)) { - ranges = Arrays.asList(new ResidueRange(params.get(CHAINID_PARAM),(ResidueNumber)null,(ResidueNumber)null)); + } else if (params.containsKey(CHAINID_PARAM)) { + ranges = Collections.singletonList(new ResidueRange(params.get(CHAINID_PARAM), (ResidueNumber) null, (ResidueNumber) null)); } } catch (UnsupportedEncodingException e) { - logger.error("Unable to decode URL "+url,e); + logger.error("Unable to decode URL {}", url, e); } - if(pdbId == null) { + if (pdbId == null) { String path = url.getPath(); - pdbId = guessPDBID(path.substring(path.lastIndexOf("/")+1)); + pdbId = guessPDBID(path.substring(path.lastIndexOf("/") + 1)); } return new SubstructureIdentifier(pdbId, ranges); } @@ -126,47 +127,46 @@ public SubstructureIdentifier toCanonical() { public Structure reduce(Structure input) throws StructureException { return toCanonical().reduce(input); } + /** * Load the structure from the URL * @return null */ @Override - public Structure loadStructure(AtomCache cache) throws StructureException, - IOException { + public Structure loadStructure(AtomCache cache) throws StructureException, IOException { StructureFiletype format = StructureFiletype.UNKNOWN; // Use user-specified format try { Map params = parseQuery(url); - if(params.containsKey(FORMAT_PARAM)) { + if (params.containsKey(FORMAT_PARAM)) { String formatStr = params.get(FORMAT_PARAM); - format = StructureIO.guessFiletype("."+formatStr); + format = StructureIO.guessFiletype("." + formatStr); } } catch (UnsupportedEncodingException e) { - logger.error("Unable to decode URL "+url,e); + logger.error("Unable to decode URL {}", url, e); } // Guess format from extension - if(format == StructureFiletype.UNKNOWN) { + if (format == StructureFiletype.UNKNOWN) { format = StructureIO.guessFiletype(url.getPath()); } switch(format) { - case CIF: - return StructureConverter.fromURL(url); - default: - case PDB: - // pdb file based parsing - - PDBFileReader reader = new PDBFileReader(cache.getPath()); - reader.setFetchBehavior(cache.getFetchBehavior()); - reader.setObsoleteBehavior(cache.getObsoleteBehavior()); - reader.setFileParsingParameters(cache.getFileParsingParams()); - return reader.getStructure(url); + case CIF: case BCIF: + return StructureConverter.fromURL(url); + case MMTF: + return MmtfActions.readFromInputStream(url.openStream()); + default: case PDB: + // pdb file based parsing + PDBFileReader reader = new PDBFileReader(cache.getPath()); + reader.setFetchBehavior(cache.getFetchBehavior()); + reader.setObsoleteBehavior(cache.getObsoleteBehavior()); + reader.setFileParsingParameters(cache.getFileParsingParams()); + return reader.getStructure(url); } } - /** * Recognizes PDB IDs that occur at the beginning of name followed by some * delimiter. @@ -175,7 +175,7 @@ public Structure loadStructure(AtomCache cache) throws StructureException, */ public static String guessPDBID(String name) { Matcher match = PDBID_REGEX.matcher(name); - if(match.matches()) { + if (match.matches()) { return match.group(1).toUpperCase(); } else { // Give up if doesn't match @@ -191,22 +191,22 @@ public static String guessPDBID(String name) { * @throws UnsupportedEncodingException */ private static Map parseQuery(URL url) throws UnsupportedEncodingException { - Map params = new LinkedHashMap(); + Map params = new LinkedHashMap<>(); String query = url.getQuery(); - if( query == null || query.isEmpty()) { + if (query == null || query.isEmpty()) { // empty query return params; } String[] pairs = url.getQuery().split("&"); - for(String pair: pairs) { + for (String pair : pairs) { int i = pair.indexOf("="); String key = pair; - if(i > 0) { + if (i > 0) { key = URLDecoder.decode(pair.substring(0, i), "UTF-8"); } String value = null; - if(i > 0 && pair.length() > i+1) { - value = URLDecoder.decode(pair.substring(i+1), "UTF-8"); + if(i > 0 && pair.length() > i + 1) { + value = URLDecoder.decode(pair.substring(i + 1), "UTF-8"); } // note that this uses the last instance if a parameter is specified multiple times params.put(key.toLowerCase(), value); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java index cc0220da07..4181792515 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java @@ -33,6 +33,7 @@ import org.biojava.nbio.structure.cath.CathDatabase; import org.biojava.nbio.structure.cath.CathDomain; import org.biojava.nbio.structure.cath.CathFactory; +import org.biojava.nbio.structure.io.BcifFileReader; import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; @@ -61,7 +62,6 @@ * @since 3.0 */ public class AtomCache { - private static final Logger logger = LoggerFactory.getLogger(AtomCache.class); /** @@ -73,25 +73,20 @@ public class AtomCache { public static final String BIOL_ASSEMBLY_IDENTIFIER = "BIO:"; public static final String CHAIN_NR_SYMBOL = ":"; public static final String CHAIN_SPLIT_SYMBOL = "."; - public static final String UNDERSCORE = "_"; private static final String FILE_SEPARATOR = System.getProperty("file.separator"); protected FileParsingParameters params; - private FetchBehavior fetchBehavior; private ObsoleteBehavior obsoleteBehavior; - private String cachePath; // make sure IDs are loaded uniquely - private Collection currentlyLoading = Collections.synchronizedCollection(new TreeSet()); + private final Collection currentlyLoading = Collections.synchronizedCollection(new TreeSet<>()); private String path; - - private boolean useMmCif; - private boolean useMmtf; + private StructureFiletype filetype = StructureFiletype.BCIF; /** * Default AtomCache constructor. @@ -122,9 +117,7 @@ public AtomCache(String pdbFilePath) { * @param cachePath */ public AtomCache(String pdbFilePath, String cachePath) { - - logger.debug("Initialising AtomCache with pdbFilePath={}, cachePath={}",pdbFilePath, cachePath); - + logger.debug("Initialising AtomCache with pdbFilePath={}, cachePath={}", pdbFilePath, cachePath); if (!pdbFilePath.endsWith(FILE_SEPARATOR)) { pdbFilePath += FILE_SEPARATOR; } @@ -144,9 +137,7 @@ public AtomCache(String pdbFilePath, String cachePath) { currentlyLoading.clear(); params = new FileParsingParameters(); - setUseMmCif(false); - setUseMmtf(true); - + setFiletype(StructureFiletype.BCIF); } /** @@ -159,11 +150,7 @@ public AtomCache(UserConfiguration config) { this(config.getPdbFilePath(), config.getCacheFilePath()); fetchBehavior = config.getFetchBehavior(); obsoleteBehavior = config.getObsoleteBehavior(); - useMmCif = config.getFileFormat().equals( UserConfiguration.MMCIF_FORMAT ); - - if ( useMmCif) - useMmtf = false; - + filetype = config.getStructureFiletype(); } /** @@ -180,21 +167,20 @@ public AtomCache(UserConfiguration config) { public Atom[] getAtoms(String name) throws IOException, StructureException { return getAtoms(new StructureName(name)); } - public Atom[] getAtoms(StructureIdentifier name) throws IOException, StructureException { - Atom[] atoms = null; + public Atom[] getAtoms(StructureIdentifier name) throws IOException, StructureException { + Atom[] atoms; // System.out.println("loading " + name); Structure s = getStructure(name); - atoms = StructureTools.getAtomCAArray(s); /* * synchronized (cache){ cache.put(name, atoms); } */ - return atoms; } + /** * Returns the representative atoms for the provided name. * See {@link #getStructure(String)} for supported naming conventions. @@ -210,17 +196,14 @@ public Atom[] getRepresentativeAtoms(String name) throws IOException, StructureE } public Atom[] getRepresentativeAtoms(StructureIdentifier name) throws IOException, StructureException { - - Atom[] atoms = null; + Atom[] atoms; Structure s = getStructure(name); - atoms = StructureTools.getRepresentativeAtomArray(s); /* * synchronized (cache){ cache.put(name, atoms); } */ - return atoms; } @@ -246,7 +229,6 @@ public Atom[] getRepresentativeAtoms(StructureIdentifier name) throws IOExceptio */ public Structure getBiologicalAssembly(String pdbId, int bioAssemblyId, boolean multiModel) throws StructureException, IOException { - if (bioAssemblyId < 0) { throw new StructureException("bioAssemblyID must be nonnegative: " + pdbId + " bioAssemblyId " + bioAssemblyId); @@ -262,14 +244,14 @@ public Structure getBiologicalAssembly(String pdbId, int bioAssemblyId, boolean getFileParsingParams().setParseBioAssembly(prevIsParseBioAssembly); - if (asymUnit.getPDBHeader() == null || asymUnit.getPDBHeader().getBioAssemblies()==null) { + if (asymUnit.getPDBHeader() == null || asymUnit.getPDBHeader().getBioAssemblies() == null) { logger.info("No bioassembly information found for {}, returning asymmetric unit as biological assembly", pdbId); return asymUnit; } // 0 ... asym unit - if ( bioAssemblyId == 0) { - logger.info("Requested biological assembly 0 for PDB id "+pdbId+", returning asymmetric unit"); + if (bioAssemblyId == 0) { + logger.info("Requested biological assembly 0 for PDB id {}, returning asymmetric unit", pdbId); return asymUnit; } // does it exist? @@ -281,20 +263,18 @@ public Structure getBiologicalAssembly(String pdbId, int bioAssemblyId, boolean asymUnit.getPDBHeader().getBioAssemblies().get(bioAssemblyId).getTransforms(); - if ( transformations == null || transformations.size() == 0){ - + if (transformations == null || transformations.size() == 0) { throw new StructureException("Could not load transformations to recreate biological assembly id " + bioAssemblyId + " of " + pdbId); - } BiologicalAssemblyBuilder builder = new BiologicalAssemblyBuilder(); // if we use mmcif or mmtf, then we need to pass useAsymIds=true boolean useAsymIds = false; - if (useMmCif) useAsymIds = true; - if (useMmtf) useAsymIds = true; + if (filetype == StructureFiletype.CIF || filetype == StructureFiletype.BCIF || filetype == StructureFiletype.MMTF) { + useAsymIds = true; + } return builder.rebuildQuaternaryStructure(asymUnit, transformations, useAsymIds, multiModel); - } /** @@ -312,7 +292,6 @@ public Structure getBiologicalAssembly(String pdbId, int bioAssemblyId, boolean * @since 4.2 */ public Structure getBiologicalAssembly(String pdbId, boolean multiModel) throws StructureException, IOException { - boolean prevIsParseBioAssembly = getFileParsingParams().isParseBioAssembly(); if (!getFileParsingParams().isParseBioAssembly()) { @@ -320,11 +299,10 @@ public Structure getBiologicalAssembly(String pdbId, boolean multiModel) throws } Structure asymUnit = getStructureForPdbId(pdbId); - getFileParsingParams().setParseBioAssembly(prevIsParseBioAssembly); - if (asymUnit.getPDBHeader() == null || asymUnit.getPDBHeader().getBioAssemblies()==null) { + if (asymUnit.getPDBHeader() == null || asymUnit.getPDBHeader().getBioAssemblies() == null) { logger.info("No bioassembly information found for {}, returning asymmetric unit as biological assembly", pdbId); return asymUnit; } @@ -340,20 +318,18 @@ public Structure getBiologicalAssembly(String pdbId, boolean multiModel) throws asymUnit.getPDBHeader().getBioAssemblies().get(bioAssemblyId).getTransforms(); - if ( transformations == null || transformations.size() == 0){ - + if (transformations == null || transformations.size() == 0) { throw new StructureException("Could not load transformations to recreate biological assembly id " + bioAssemblyId + " of " + pdbId); - } BiologicalAssemblyBuilder builder = new BiologicalAssemblyBuilder(); // if we use mmcif or mmtf, then we need to pass useAsymIds=true boolean useAsymIds = false; - if (useMmCif) useAsymIds = true; - if (useMmtf) useAsymIds = true; + if (filetype == StructureFiletype.CIF || filetype == StructureFiletype.BCIF || filetype == StructureFiletype.MMTF) { + useAsymIds = true; + } return builder.rebuildQuaternaryStructure(asymUnit, transformations, useAsymIds, multiModel); - } /** @@ -367,7 +343,6 @@ public Structure getBiologicalAssembly(String pdbId, boolean multiModel) throws * @since 5.0 */ public List getBiologicalAssemblies(String pdbId, boolean multiModel) throws StructureException, IOException { - List assemblies = new ArrayList<>(); boolean prevIsParseBioAssembly = getFileParsingParams().isParseBioAssembly(); @@ -377,25 +352,21 @@ public List getBiologicalAssemblies(String pdbId, boolean multiModel) } Structure asymUnit = getStructureForPdbId(pdbId); - getFileParsingParams().setParseBioAssembly(prevIsParseBioAssembly); - - if (asymUnit.getPDBHeader() == null || asymUnit.getPDBHeader().getBioAssemblies()==null) { + if (asymUnit.getPDBHeader() == null || asymUnit.getPDBHeader().getBioAssemblies() == null) { logger.info("No bioassembly information found for {}, returning asymmetric unit as the only biological assembly", pdbId); assemblies.add(asymUnit); return assemblies; } - for (int bioAssemblyId : asymUnit.getPDBHeader().getBioAssemblies().keySet()) { List transformations = asymUnit.getPDBHeader().getBioAssemblies().get(bioAssemblyId).getTransforms(); - - if ( transformations == null || transformations.size() == 0){ - - logger.info("Could not load transformations to recreate biological assembly id " + bioAssemblyId + " of " + pdbId+". Assembly id will be missing in biological assemblies."); + if (transformations == null || transformations.size() == 0) { + logger.info("Could not load transformations to recreate biological assembly id {} of {}. Assembly " + + "id will be missing in biological assemblies.", bioAssemblyId, pdbId); continue; } @@ -403,8 +374,9 @@ public List getBiologicalAssemblies(String pdbId, boolean multiModel) // if we use mmcif or mmtf, then we need to pass useAsymIds=true boolean useAsymIds = false; - if (useMmCif) useAsymIds = true; - if (useMmtf) useAsymIds = true; + if (filetype == StructureFiletype.CIF || filetype == StructureFiletype.BCIF || filetype == StructureFiletype.MMTF) { + useAsymIds = true; + } Structure s = builder.rebuildQuaternaryStructure(asymUnit, transformations, useAsymIds, multiModel); assemblies.add(s); } @@ -483,7 +455,6 @@ public String getPath() { */ public Structure getStructure(String name) throws IOException, StructureException { StructureName structureName = new StructureName(name); - return getStructure(structureName); } @@ -552,7 +523,6 @@ public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatab */ public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatabase, boolean strictLigandHandling) throws IOException, StructureException { - String pdbId = domain.getPdbId(); Structure fullStructure = getStructureForPdbId(pdbId); Structure structure = domain.reduce(fullStructure); @@ -569,13 +539,12 @@ public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatab rrs = ResidueRangeAndLength.parseMultiple(domain.getRanges(), map); } for (Chain chain : fullStructure.getNonPolyChains()) { - if (!structure.hasPdbChain(chain.getName())) { continue; // we can't do anything with a chain our domain } Chain newChain; - if (! structure.hasNonPolyChain(chain.getId())) { + if (!structure.hasNonPolyChain(chain.getId())) { newChain = new ChainImpl(); newChain.setId(chain.getId()); newChain.setName(chain.getName()); @@ -584,6 +553,7 @@ public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatab } else { newChain = structure.getNonPolyChain(chain.getId()); } + List ligands = StructureTools.filterLigands(chain.getAtomGroups()); for (Group group : ligands) { boolean shouldContain = true; @@ -598,9 +568,7 @@ public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatab boolean alreadyContains = newChain.getAtomGroups().contains(group); // we don't want to add duplicate // ligands if (shouldContain && !alreadyContains) { - newChain.addGroup(group); - } } } @@ -619,7 +587,6 @@ public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatab structure.getPDBHeader().setDescription(header.toString()); return structure; - } /** @@ -665,7 +632,6 @@ public void setFileParsingParams(FileParsingParameters params) { this.params = params; } - /** * [Optional] This method changes the behavior when obsolete entries * are requested. Current behaviors are: @@ -712,6 +678,7 @@ public ObsoleteBehavior getObsoleteBehavior() { public FetchBehavior getFetchBehavior() { return fetchBehavior; } + /** * Set the behavior for fetching files from the server * @param fetchBehavior @@ -731,45 +698,23 @@ public void setPath(String path) { } /** - * @return the useMmCif + * Returns the currently active file type that will be parsed. + * @return a StructureFiletype */ - public boolean isUseMmCif() { - return useMmCif; + public StructureFiletype getFiletype() { + return filetype; } /** - * @param useMmCif - * the useMmCif to set - */ - public void setUseMmCif(boolean useMmCif) { - this.useMmCif = useMmCif; - // Either way the user wants to use PDB or MMCIF - this.useMmtf = false; - } - - /** - * Set whether to use mmtf. - * @param useMmtf the input boolean to set - */ - public void setUseMmtf(boolean useMmtf) { - this.useMmtf = useMmtf; - if(useMmtf){ - useMmCif=false; - } - - } - - /** Returns useMmtf flag - * - * @return true if will load data via mmtf file format + * Set the file type that will be parsed. + * @param filetype a StructureFiletype */ - public boolean isUseMmtf(){ - return this.useMmtf; + public void setFiletype(StructureFiletype filetype) { + this.filetype = filetype; } private boolean checkLoading(String name) { return currentlyLoading.contains(name); - } /** @@ -784,17 +729,15 @@ public Structure getStructureForCathDomain(StructureName structureName) throws I * Returns a {@link Structure} corresponding to the CATH identifier supplied in {@code structureName}, using the specified {@link CathDatabase}. */ public Structure getStructureForCathDomain(StructureName structureName, CathDatabase cathInstall) throws IOException, StructureException { - CathDomain cathDomain = cathInstall.getDomainByCathId(structureName.getIdentifier()); Structure s = getStructureForPdbId(cathDomain.getIdentifier()); Structure n = cathDomain.reduce(s); // add the ligands of the chain... - Chain newChain = n.getPolyChainByPDB(structureName.getChainId()); List origChains = s.getNonPolyChainsByPDB(structureName.getChainId()); - for ( Chain origChain : origChains) { + for (Chain origChain : origChains) { List ligands = origChain.getAtomGroups(); for (Group g : ligands) { @@ -815,7 +758,6 @@ protected void flagLoading(String name) { } protected void flagLoadingFinished(String name) { - currentlyLoading.remove(name); } @@ -827,10 +769,10 @@ protected void flagLoadingFinished(String name) { * @throws StructureException */ public Structure getStructureForPdbId(String pdbId) throws IOException, StructureException { - if(pdbId == null) + if (pdbId == null) return null; - if(pdbId.length() != 4) { - throw new StructureException("Unrecognized PDB ID: "+pdbId); + if (pdbId.length() != 4) { + throw new StructureException("Unrecognized PDB ID: " + pdbId); } while (checkLoading(pdbId)) { // waiting for loading to be finished... @@ -840,22 +782,22 @@ public Structure getStructureForPdbId(String pdbId) throws IOException, Structur } catch (InterruptedException e) { logger.error(e.getMessage()); } - } - Structure s; - if (useMmtf) { - logger.debug("loading from mmtf"); - s = loadStructureFromMmtfByPdbId(pdbId); - } - else if (useMmCif) { - logger.debug("loading from mmcif"); - s = loadStructureFromCifByPdbId(pdbId); - } else { - logger.debug("loading from pdb"); - s = loadStructureFromPdbByPdbId(pdbId); + switch (filetype) { + case CIF: + logger.debug("loading from mmcif"); + return loadStructureFromCifByPdbId(pdbId); + case BCIF: + logger.debug("loading from bcif"); + return loadStructureFromBcifByPdbId(pdbId); + case MMTF: + logger.debug("loading from mmtf"); + return loadStructureFromMmtfByPdbId(pdbId); + case PDB: default: + logger.debug("loading from pdb"); + return loadStructureFromPdbByPdbId(pdbId); } - return s; } /** @@ -869,12 +811,10 @@ private Structure loadStructureFromMmtfByPdbId(String pdbId) throws IOException MMTFFileReader reader = new MMTFFileReader(); reader.setFetchBehavior(fetchBehavior); reader.setObsoleteBehavior(obsoleteBehavior); - Structure structure = reader.getStructureById(pdbId.toLowerCase()); - return structure; + return reader.getStructureById(pdbId.toLowerCase()); } - protected Structure loadStructureFromCifByPdbId(String pdbId) throws IOException, StructureException { - + protected Structure loadStructureFromCifByPdbId(String pdbId) throws IOException { logger.debug("Loading structure {} from mmCIF file {}.", pdbId, path); Structure s; flagLoading(pdbId); @@ -891,8 +831,24 @@ protected Structure loadStructureFromCifByPdbId(String pdbId) throws IOException return s; } - protected Structure loadStructureFromPdbByPdbId(String pdbId) throws IOException, StructureException { + protected Structure loadStructureFromBcifByPdbId(String pdbId) throws IOException { + logger.debug("Loading structure {} from BinaryCIF file {}.", pdbId, path); + Structure s; + flagLoading(pdbId); + try { + BcifFileReader reader = new BcifFileReader(path); + reader.setFetchBehavior(fetchBehavior); + reader.setObsoleteBehavior(obsoleteBehavior); + reader.setFileParsingParameters(params); + s = reader.getStructureById(pdbId.toLowerCase()); + } finally { + flagLoadingFinished(pdbId); + } + + return s; + } + protected Structure loadStructureFromPdbByPdbId(String pdbId) throws IOException { logger.debug("Loading structure {} from PDB file {}.", pdbId, path); Structure s; flagLoading(pdbId); @@ -904,12 +860,10 @@ protected Structure loadStructureFromPdbByPdbId(String pdbId) throws IOException reader.setFileParsingParameters(params); s = reader.getStructureById(pdbId.toLowerCase()); - } finally { flagLoadingFinished(pdbId); } return s; } - } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/UserConfiguration.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/UserConfiguration.java index e23f8e6db1..ebcf3aaba6 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/UserConfiguration.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/UserConfiguration.java @@ -19,6 +19,7 @@ package org.biojava.nbio.structure.align.util; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.align.ce.StartupParameters; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; @@ -33,19 +34,17 @@ import java.util.Map; import java.util.concurrent.atomic.AtomicBoolean; - -/** A container to persist config to the file system +/** + * A container to persist config to the file system * * @author Andreas Prlic - * */ -public class UserConfiguration -{ - +public class UserConfiguration { private static final Logger logger = LoggerFactory.getLogger(UserConfiguration.class); public static final String PDB_FORMAT = "PDB"; - public static final String MMCIF_FORMAT = "mmCif"; + public static final String MMCIF_FORMAT = "cif"; + public static final String BINARY_CIF = "bcif"; public static final String MMTF_FORMAT = "mmtf"; public static final String TMP_DIR = "java.io.tmpdir"; @@ -63,8 +62,7 @@ public class UserConfiguration private String fileFormat; - private static AtomicBoolean warningShown = new AtomicBoolean(false); - + private static final AtomicBoolean warningShown = new AtomicBoolean(false); /** * Default UserConfiguration: @@ -98,66 +96,51 @@ public UserConfiguration(){ // note that in initCacheFilePath, we set to the provided one (if readable) or to the same as pdbFilePath cacheFilePath = initCacheFilePath(); - fileFormat = MMTF_FORMAT; + fileFormat = BINARY_CIF; } private String initPdbFilePath() { - String path = null; - String propertyName = PDB_DIR; - String userProvidedDir = System.getProperty(propertyName); - if ( userProvidedDir != null && !userProvidedDir.trim().isEmpty()) { - + if (userProvidedDir != null && !userProvidedDir.trim().isEmpty()) { path = userProvidedDir; logger.debug("Read PDB dir from system property {}: {}", propertyName, path); File f = new File(path); if (!f.isDirectory()) { - logger.warn( - "Provided path {} (with system property {}) is not a directory. Using system's temp directory instead {}", - path, propertyName, System.getProperty(TMP_DIR)); + logger.warn("Provided path {} (with system property {}) is not a directory. Using system's temp " + + "directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); } else if (!f.canWrite()) { - logger.warn( - "Provided path {} (with system property {}) is not writable. Will not be able to write cached files.", - path, propertyName); + logger.warn("Provided path {} (with system property {}) is not writable. Will not be able to write " + + "cached files.", path, propertyName); // we don't require the PDB_DIR to be writable, so that it can be used with a pre-rsynced dir // thus if not writable, we only warn and go ahead using it } - - } else { Map env = System.getenv(); - - if( env.containsKey(propertyName) && !env.get(propertyName).trim().isEmpty()) { + if (env.containsKey(propertyName) && !env.get(propertyName).trim().isEmpty()) { path = env.get(propertyName); logger.debug("Read dir from environment variable {}: {}", propertyName, path); File f = new File(path); if (!f.isDirectory()) { - logger.warn( - "Provided path {} (with environment variable {}) is not a directory. Using system's temp directory instead {}", - path, propertyName, System.getProperty(TMP_DIR)); + logger.warn("Provided path {} (with environment variable {}) is not a directory. Using system's " + + "temp directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); } else if (!f.canWrite()) { - logger.warn( - "Provided path {} (with environment variable {}) is not writable. Will not be able to write cached files", - path, propertyName); + logger.warn("Provided path {} (with environment variable {}) is not writable. Will not be able " + + "to write cached files", path, propertyName); // we don't require the PDB_DIR to be writable, so that it can be used with a pre-rsynced dir // thus if not writable, we only warn and go ahead using it } - } else { path = System.getProperty(TMP_DIR); - if ( ! warningShown.get()) { - - logger.warn("Could not read dir from system property {} or environment variable {}, " - + "using system's temp directory {}", - propertyName, propertyName, path); - + if (! warningShown.get()) { + logger.warn("Could not read dir from system property {} or environment variable {}, " + + "using system's temp directory {}", propertyName, propertyName, path); warningShown.set(true); } @@ -165,95 +148,79 @@ private String initPdbFilePath() { } } - if ( ! path.endsWith(lineSplit) ) + if (!path.endsWith(lineSplit)) { path = path + lineSplit; + } return path; - } private String initCacheFilePath() { - String path = null; - String propertyName = PDB_CACHE_DIR; - String userProvidedDir = System.getProperty(propertyName); - if ( userProvidedDir != null ) { - + if (userProvidedDir != null) { path = userProvidedDir; logger.debug("Read cache dir from system property {}: {}", propertyName, path); File f = new File(path); if (!f.isDirectory()) { - logger.warn( - "Provided path {} (with system property {}) is not a directory. Using system's temp directory instead {}", - path, propertyName, System.getProperty(TMP_DIR)); + logger.warn("Provided path {} (with system property {}) is not a directory. Using system's temp " + + "directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); } else if (!f.canWrite()) { - logger.warn( - "Provided path {} (with system property {}) is not writable. Using system's temp directory instead {}", - path, propertyName, System.getProperty(TMP_DIR)); + logger.warn("Provided path {} (with system property {}) is not writable. Using system's temp " + + "directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); System.setProperty(propertyName,path); } - - } else { Map env = System.getenv(); - if( env.containsKey(propertyName)) { + if (env.containsKey(propertyName)) { path = env.get(propertyName); logger.debug("Read dir from environment variable {}: {}", propertyName, path); File f = new File(path); if (!f.isDirectory()) { - logger.warn( - "Provided path {} (with environment variable {}) is not a directory. Using system's temp directory instead {}", - path, propertyName, System.getProperty(TMP_DIR)); + logger.warn("Provided path {} (with environment variable {}) is not a directory. Using system's " + + "temp directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); } else if (!f.canWrite()) { - logger.warn( - "Provided path {} (with environment variable {}) is not writable. Using system's temp directory instead {}", - path, propertyName, System.getProperty(TMP_DIR)); + logger.warn("Provided path {} (with environment variable {}) is not writable. Using system's " + + "temp directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); } - } else { // NOTE in case of not provided, then it is set to same as pdbFilePath // as PDB_DIR is not checked for being writable, we have to do that check here in case if (new File(pdbFilePath).canWrite()){ path = pdbFilePath; - logger.info("Could not read cache dir from system property {} or environment variable {}, " - + "using PDB directory instead {}", - propertyName, propertyName, path); + logger.info("Could not read cache dir from system property {} or environment variable {}, " + + "using PDB directory instead {}", propertyName, propertyName, path); System.setProperty(propertyName,path); - } else { path = System.getProperty(TMP_DIR); logger.warn("Could not read cache dir from system property {} or environment variable {}, " + "and PDB directory {} is not writable. Using system's temp directory instead {}", propertyName, propertyName, pdbFilePath, path); System.setProperty(propertyName,path); - } } } - if ( ! path.endsWith(lineSplit) ) + if (!path.endsWith(lineSplit)) { path = path + lineSplit; + } return path; - } - public String getPdbFilePath() - { + public String getPdbFilePath() { return pdbFilePath; } - public void setPdbFilePath(String pdbFilePath) - { + public void setPdbFilePath(String pdbFilePath) { this.pdbFilePath = pdbFilePath; } @@ -281,24 +248,22 @@ public void setObsoleteBehavior(ObsoleteBehavior obsoleteBehavior) { this.obsoleteBehavior = obsoleteBehavior; } - /** convert Configuration to an XML file so it can be serialized + /** + * convert Configuration to an XML file so it can be serialized * * @param pw * @return XMLWriter * @throws IOException */ - public XMLWriter toXML(PrintWriter pw) - throws IOException - { - - XMLWriter xw = new PrettyXMLWriter( pw); - + public XMLWriter toXML(PrintWriter pw) throws IOException { + XMLWriter xw = new PrettyXMLWriter(pw); toXML(xw); - return xw ; - } + return xw; + } - /** convert Configuration to an XML file so it can be serialized + /** + * convert Configuration to an XML file so it can be serialized * add to an already existing xml file. * * @param xw the XML writer to use @@ -306,10 +271,7 @@ public XMLWriter toXML(PrintWriter pw) * @throws IOException * @see org.biojava.nbio.structure.align.webstart.ConfigXMLHandler */ - - public XMLWriter toXML(XMLWriter xw) - throws IOException - { + public XMLWriter toXML(XMLWriter xw) throws IOException { xw.printRaw(""); //xw.printRaw(""); xw.openTag("JFatCatConfig"); @@ -317,18 +279,18 @@ public XMLWriter toXML(XMLWriter xw) xw.openTag("PDBFILEPATH"); // we don;t serialize the tempdir... String tempdir = System.getProperty(TMP_DIR); - if (! pdbFilePath.equals(tempdir)) + if (!pdbFilePath.equals(tempdir)) { xw.attribute("path", pdbFilePath); + } - xw.attribute("fetchBehavior", fetchBehavior+""); - xw.attribute("obsoleteBehavior", obsoleteBehavior+""); + xw.attribute("fetchBehavior", fetchBehavior + ""); + xw.attribute("obsoleteBehavior", obsoleteBehavior + ""); xw.attribute("fileFormat", fileFormat); xw.closeTag("PDBFILEPATH"); xw.closeTag("JFatCatConfig"); return xw ; - - } + } public static UserConfiguration fromStartupParams(StartupParameters params) { UserConfiguration config = new UserConfiguration(); @@ -349,14 +311,22 @@ public void setFileFormat (String fileFormat){ this.fileFormat = fileFormat; } - public String getFileFormat() - { + public String getFileFormat() { return fileFormat; } - - - - - + public StructureFiletype getStructureFiletype() { + switch (fileFormat) { + case MMCIF_FORMAT: + return StructureFiletype.CIF; + case BINARY_CIF: + return StructureFiletype.BCIF; + case MMTF_FORMAT: + return StructureFiletype.MMTF; + case PDB_FORMAT: + return StructureFiletype.PDB; + default: + return StructureFiletype.BCIF; + } + } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java index 7109d60204..f550d82a96 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java @@ -228,7 +228,8 @@ public String getOneLetterCode() { } public void setOneLetterCode(String oneLetterCode) { - this.oneLetterCode = oneLetterCode; + // backwards compatibility that treats missing olc as ? + this.oneLetterCode = "".equals(oneLetterCode) ? "?" : oneLetterCode; setStandardFlag(); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index 0f1394424a..53d4c6e42f 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -45,6 +45,7 @@ import org.biojava.nbio.structure.PDBCrystallographicInfo; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemComp; @@ -80,7 +81,7 @@ public class MmtfUtils { public static AtomCache setUpBioJava() { // Set up the atom cache etc AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.MMTF); FileParsingParameters params = cache.getFileParsingParams(); params.setCreateAtomBonds(true); params.setAlignSeqRes(true); @@ -101,7 +102,7 @@ public static AtomCache setUpBioJava() { public static AtomCache setUpBioJava(String extraUrl) { // Set up the atom cache etc AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.MMTF); FileParsingParameters params = cache.getFileParsingParams(); params.setCreateAtomBonds(true); params.setAlignSeqRes(true); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/Test2JA5.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/Test2JA5.java index 8d42461300..eb7008d0cb 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/Test2JA5.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/Test2JA5.java @@ -41,7 +41,7 @@ public void test2JA5() throws IOException, StructureException { fileParsingParameters.setHeaderOnly(false); // Need header only off to have chains to match. AtomCache cache = new AtomCache(); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); cache.setFileParsingParams(fileParsingParameters); StructureIO.setAtomCache(cache); @@ -70,7 +70,7 @@ public void test2JA5noHeader() throws IOException, StructureException { fileParsingParameters.setHeaderOnly(true); AtomCache cache = new AtomCache(); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); cache.setFileParsingParams(fileParsingParameters); StructureIO.setAtomCache(cache); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java index 3aa86bacd0..ef9f830ae1 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java @@ -47,7 +47,7 @@ public class TestAltLocs { public void testAltLocParsing() throws StructureException, IOException{ AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s = cache.getStructure("2CI1"); Chain a = s.getPolyChainByPDB("A"); @@ -210,7 +210,7 @@ private void ensureAllAtomsSameAltCode(Group groupInputAltLocGroup, Group inputM public void test1AAC() throws IOException, StructureException{ AtomCache cache = new AtomCache(); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); StructureIO.setAtomCache(cache); Structure s = StructureIO.getStructure("1AAC"); @@ -221,7 +221,7 @@ public void test1AAC() throws IOException, StructureException{ testCBAtomInMainGroup(g); cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); Structure s1 = cache.getStructure("1AAC"); @@ -262,7 +262,7 @@ public void test3PIUpdb() throws IOException, StructureException{ StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure structure = StructureIO.getStructure("3PIU"); @@ -428,7 +428,7 @@ public void test4CUPBonds() throws IOException, StructureException{ StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure structure = StructureIO.getStructure("4CUP"); @@ -489,7 +489,7 @@ public void test3PIUmmcif() throws IOException, StructureException{ StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure structure = StructureIO.getStructure("3PIU"); @@ -549,7 +549,7 @@ public void test3U7Tmmcif() throws IOException, StructureException{ StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(true); cache.setFileParsingParams(params); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java index d3c61130ae..17c6836a4f 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java @@ -156,7 +156,7 @@ public void testObsoleteId() throws StructureException, IOException { cache.setObsoleteBehavior(ObsoleteBehavior.THROW_EXCEPTION); // OBSOLETE PDB; should throw an exception - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); cache.getStructure("1HHB"); } @@ -168,13 +168,13 @@ public void testFetchCurrent1CMW() throws IOException, StructureException { cache.setObsoleteBehavior(ObsoleteBehavior.FETCH_CURRENT); // OBSOLETE PDB; should throw an exception - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); try { cache.getStructure("1CMW"); fail("Obsolete structure should throw exception"); } catch(IOException e) {} - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); try { cache.getStructure("1CMW"); fail("Obsolete structure should throw exception"); @@ -188,11 +188,11 @@ public void testFetchCurrent1HHB() throws IOException, StructureException { cache.setFetchBehavior(FetchBehavior.FETCH_FILES); cache.setObsoleteBehavior(ObsoleteBehavior.FETCH_CURRENT); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure s = cache.getStructure("1HHB"); assertEquals("Failed to get the current ID for 1HHB.","4HHB",s.getPDBCode()); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); s = cache.getStructure("1HHB"); assertEquals("Failed to get the current ID for 1HHB.","4HHB",s.getPDBCode()); } @@ -204,15 +204,14 @@ public void testFetchObsolete() throws IOException, StructureException { cache.setObsoleteBehavior(ObsoleteBehavior.FETCH_OBSOLETE); Structure s; - cache.setUseMmtf(false); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); s = cache.getStructure("1CMW"); assertEquals("Failed to get OBSOLETE file 1CMW.","1CMW", s.getPDBCode()); s = cache.getStructure("1HHB"); assertEquals("Failed to get OBSOLETE file 1HHB.","1HHB", s.getPDBCode()); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); s = cache.getStructure("1CMW"); assertEquals("Failed to get OBSOLETE file 1CMW.","1CMW", s.getPDBCode()); @@ -229,35 +228,32 @@ public void testSettingFileParsingType(){ //test defaults - // by default we either use mmtf or mmcif, but not both. - assertNotEquals(cache.isUseMmtf(), cache.isUseMmCif()); - // first is mmtf, second is mmcif testFlags(cache,true,false); // now change the values - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); testFlags(cache,false,true); - cache.setUseMmtf(true); + cache.setFiletype(StructureFiletype.MMTF); testFlags(cache,true,false); // this sets to use PDB! - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); testFlags(cache,false,false); // back to defaults - cache.setUseMmtf(true); + cache.setFiletype(StructureFiletype.MMTF); testFlags(cache,true,false); // back to parsing PDB - cache.setUseMmtf(false); + cache.setFiletype(StructureFiletype.PDB); testFlags(cache,false,false); @@ -274,10 +270,10 @@ public void testSettingFileParsingType(){ */ private void testFlags(AtomCache cache ,boolean useMmTf, boolean useMmCif) { - assertEquals("flag for parsing mmtf is set to " + cache.isUseMmtf() + " but should be " + useMmTf, - cache.isUseMmtf(), useMmTf); - assertEquals("flag for parsing mmcif is set to " + cache.isUseMmCif() + " but should be set to " + useMmCif, - cache.isUseMmCif(), useMmCif); + assertEquals("flag for parsing mmtf is set to " + cache.getFiletype() + " but should be " + useMmTf, + cache.getFiletype() == StructureFiletype.MMTF, useMmTf); + assertEquals("flag for parsing mmcif is set to " + cache.getFiletype() + " but should be set to " + useMmCif, + cache.getFiletype() == StructureFiletype.CIF, useMmCif); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java index 9a3022d0a1..cd64006861 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java @@ -52,7 +52,7 @@ public static void setUp() { cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = cache.getFileParsingParams(); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestCloning.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestCloning.java index ac8b728d93..4ce757bc91 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestCloning.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestCloning.java @@ -191,7 +191,7 @@ private void compareCloned(final Structure s, final Structure c) throws Structur public void testBondCloning() throws IOException, StructureException { final AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); final FileParsingParameters params = cache.getFileParsingParams(); params.setCreateAtomBonds(true); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestEntityResIndexMapping.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestEntityResIndexMapping.java index f0926364b9..401a42f2cb 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestEntityResIndexMapping.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestEntityResIndexMapping.java @@ -54,7 +54,7 @@ public void test1B8G() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure s = StructureIO.getStructure("1B8G"); Chain chainA = s.getPolyChainByPDB("A"); @@ -76,7 +76,7 @@ public void test1SMT() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure s = StructureIO.getStructure("1SMT"); Chain chainA = s.getPolyChainByPDB("A"); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestExperimentalTechniques.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestExperimentalTechniques.java index 25436297a6..6ef6224f8d 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestExperimentalTechniques.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestExperimentalTechniques.java @@ -39,9 +39,9 @@ public void test6F2Q() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure sPdb = StructureIO.getStructure("6F2Q"); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCif = StructureIO.getStructure("6F2Q"); comparePdbToCif(sPdb, sCif); @@ -69,9 +69,9 @@ public void test3ZPK() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure sPdb = StructureIO.getStructure("3ZPK"); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCif = StructureIO.getStructure("3ZPK"); comparePdbToCif(sPdb, sCif); @@ -99,9 +99,9 @@ public void test2B6O() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure sPdb = StructureIO.getStructure("2B6O"); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCif = StructureIO.getStructure("2B6O"); comparePdbToCif(sPdb, sCif); @@ -129,9 +129,9 @@ public void test4CSO() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure sPdb = StructureIO.getStructure("4CSO"); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCif = StructureIO.getStructure("4CSO"); comparePdbToCif(sPdb, sCif); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestLoadStructureFromURL.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestLoadStructureFromURL.java index c7cf3ede33..fb182535f1 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestLoadStructureFromURL.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestLoadStructureFromURL.java @@ -50,8 +50,7 @@ public void testLoadStructureFromURL() throws IOException, StructureException{ f.mkdir(); } AtomCache c = new AtomCache(f.toString(), f.toString()); - c.setUseMmCif(false); - c.setUseMmtf(false); + c.setFiletype(StructureFiletype.PDB); // fetch a random small structure c.getStructure("1znf"); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestParsingCalcium.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestParsingCalcium.java index 783ca74dba..c3212fac8c 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestParsingCalcium.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestParsingCalcium.java @@ -46,7 +46,7 @@ public void testCalciumParsing() throws StructureException, IOException { AtomCache cache = new AtomCache(); Structure s = cache.getStructure(pdbID); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure m = cache.getStructure(pdbID); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestStructureCrossReferences.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestStructureCrossReferences.java index d2c5b2d0b8..ebcea45acf 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestStructureCrossReferences.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestStructureCrossReferences.java @@ -50,7 +50,7 @@ public void testCrossReferencesMmCif() throws IOException, StructureException { boolean emptySeqRes = true; AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(false); // Store empty seqres groups. @@ -73,7 +73,7 @@ public void testCrossReferencesMmCifAlignSeqRes() throws IOException, StructureE boolean emptySeqRes = false; AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(true); @@ -97,7 +97,7 @@ public void testCrossReferencesMmCifAlignSeqRes() throws IOException, StructureE public void testCrossReferencesPdb() throws IOException, StructureException { boolean emptySeqRes = true; AtomCache cache = new AtomCache(); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(false); // Store empty seqres groups @@ -119,7 +119,7 @@ public void testCrossReferencesPdb() throws IOException, StructureException { public void testCrossReferencesPdbAlignSeqRes() throws IOException, StructureException { boolean emptySeqRes = false; AtomCache cache = new AtomCache(); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(true); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java index 0882ae08a1..1b30f95ad6 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java @@ -47,6 +47,7 @@ import org.biojava.nbio.structure.ResidueRangeAndLength; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.StructureIdentifier; import org.biojava.nbio.structure.StructureTools; @@ -372,7 +373,7 @@ public void testEmptyChemComp() throws IOException, StructureException { try { cache.setPath(tmpCache.toString()); cache.setCachePath(tmpCache.toString()); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); ChemCompGroupFactory.setChemCompProvider(new DownloadChemCompProvider(tmpCache.toString())); // Create an empty chemcomp @@ -431,7 +432,7 @@ public void testEmptyGZChemComp() throws IOException, StructureException { try { cache.setPath(tmpCache.toString()); cache.setCachePath(tmpCache.toString()); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); ChemCompGroupFactory.setChemCompProvider(new DownloadChemCompProvider(tmpCache.toString())); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestDifficultMmCIFFiles.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestDifficultMmCIFFiles.java index 81695918a9..690f877f08 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestDifficultMmCIFFiles.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestDifficultMmCIFFiles.java @@ -42,6 +42,7 @@ import org.biojava.nbio.structure.ResidueNumber; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.cif.StructureConverter; @@ -77,7 +78,7 @@ public void test2KSA() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCif = StructureIO.getStructure("2KSA"); assertNotNull(sCif); @@ -105,7 +106,7 @@ public void test2BI6() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCif = StructureIO.getStructure("2BI6"); assertNotNull(sCif); @@ -134,10 +135,10 @@ public void test1GQO() throws IOException, StructureException { params.setParseBioAssembly(true); StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure sPdb = StructureIO.getStructure("1GQO"); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCif = StructureIO.getStructure("1GQO"); assertNotNull(sCif); @@ -168,7 +169,7 @@ public void test1GQO() throws IOException, StructureException { @Test public void testResidueNumbers() throws IOException, StructureException { AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s = cache.getStructure("2PTC"); Chain c = s.getChainByIndex(0); @@ -248,7 +249,7 @@ public void test2KLI() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCif = StructureIO.getStructure("2KLI"); assertNotNull(sCif); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java index 6362dc2a84..b205bd2140 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java @@ -24,6 +24,7 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.align.util.AtomCache; @@ -56,8 +57,7 @@ public void test4A1Immcif() throws IOException, StructureException { int biolAssemblyNr = 2; AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); - cache.setUseMmtf(false); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); Structure bioAssembly = StructureIO.getBiologicalAssembly(pdbId,biolAssemblyNr); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHeaderOnly.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHeaderOnly.java index f447953a32..7d246fc25e 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHeaderOnly.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHeaderOnly.java @@ -31,6 +31,7 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemComp; @@ -60,7 +61,7 @@ public void testHeaderOnly() throws StructureException, IOException { // Test 1: with PDB AtomCache cache = new AtomCache(); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); FileParsingParameters params = new FileParsingParameters(); params.setHeaderOnly(true); @@ -74,7 +75,7 @@ public void testHeaderOnly() throws StructureException, IOException { Assert.assertEquals(false, doSeqResHaveAtoms(sPDB)); // Test 2: with mmCIF - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCIF = StructureIO.getStructure(pdbID); Assert.assertEquals(false, doSeqResHaveAtoms(sCIF)); @@ -95,7 +96,7 @@ public void testAlignSeqres() throws StructureException, IOException { // Test 1: with PDB AtomCache cache = new AtomCache(); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); FileParsingParameters params = new FileParsingParameters(); params.setHeaderOnly(false); @@ -109,7 +110,7 @@ public void testAlignSeqres() throws StructureException, IOException { check1REPChainC(sPDB); // Check particular residues to be aligned. // Test 2: with mmCIF - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCIF = StructureIO.getStructure(pdbID); Assert.assertEquals(true, doSeqResHaveAtoms(sCIF)); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java index 31d4b86dd8..6187f2127b 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java @@ -40,6 +40,7 @@ import org.biojava.nbio.structure.ResidueNumber; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; @@ -77,7 +78,7 @@ private static void testRoundTrip(String pdbId) throws IOException, StructureExc StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(true); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMcifOrganismParsing.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMcifOrganismParsing.java index 71733aabaa..31c309f68e 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMcifOrganismParsing.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMcifOrganismParsing.java @@ -28,6 +28,7 @@ import org.biojava.nbio.structure.EntityType; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.BeforeClass; @@ -48,7 +49,7 @@ public class TestMMcifOrganismParsing { public static void setUp() throws Exception { AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java index b0c7c8fe55..a604fffcaa 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java @@ -36,6 +36,7 @@ import org.biojava.nbio.structure.EntityType; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.cif.StructureConverter; @@ -117,7 +118,7 @@ public void test1B8G() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s = StructureIO.getStructure("1B8G"); System.out.println("Chains from full deposited file: "); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFFeatures.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFFeatures.java index f0c10f5e17..f4d5a6d9d2 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFFeatures.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFFeatures.java @@ -31,6 +31,7 @@ import org.biojava.nbio.structure.Site; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; @@ -45,7 +46,7 @@ public void testSSBond()throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = new FileParsingParameters(); params.setCreateAtomBonds(true); cache.setFileParsingParams(params); @@ -77,7 +78,7 @@ public void testSSBondAltLocs() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = new FileParsingParameters(); params.setCreateAtomBonds(true); cache.setFileParsingParams(params); @@ -147,7 +148,7 @@ public void testSites()throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCif = StructureIO.getStructure("4HHB"); assertNotNull(sCif); @@ -181,7 +182,7 @@ public void testSites1a4w()throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCif = StructureIO.getStructure("1A4W"); assertNotNull(sCif); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java index 2a997118f2..76d7d74a3d 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java @@ -29,6 +29,7 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemCompGroupFactory; @@ -50,10 +51,10 @@ public class TestParseMmCIFLigands { public void testLigandConnections()throws IOException, StructureException { AtomCache cache = new AtomCache(); // This needs MMCIF - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); ChemCompGroupFactory.setChemCompProvider(new DownloadChemCompProvider()); FileParsingParameters params = cache.getFileParsingParams(); @@ -93,10 +94,10 @@ private int countBondedAtomsInLigandGroups(Structure s){ public void testMultipleConformations()throws IOException, StructureException { AtomCache cache = new AtomCache(); // This needs MMCIF - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); ChemCompGroupFactory.setChemCompProvider(new DownloadChemCompProvider()); FileParsingParameters params = cache.getFileParsingParams(); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseOnAsymId.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseOnAsymId.java index 448aed4750..fda734d668 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseOnAsymId.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseOnAsymId.java @@ -27,6 +27,7 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; @@ -39,7 +40,7 @@ public class TestParseOnAsymId { public void test4cup() throws IOException, StructureException { AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = cache.getFileParsingParams(); cache.setFileParsingParams(params); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestQuaternaryStructureProviders.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestQuaternaryStructureProviders.java index c2d4ec71ad..0b67e66aaa 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestQuaternaryStructureProviders.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestQuaternaryStructureProviders.java @@ -59,7 +59,7 @@ public void test5LDH() throws IOException, StructureException{ boolean gotException = false; try { AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); StructureIO.getBiologicalAssembly("5LDH",3); } catch (StructureException e) { @@ -72,7 +72,7 @@ public void test5LDH() throws IOException, StructureException{ gotException = false; try { AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); StructureIO.getBiologicalAssembly("5LDH",2); } catch (StructureException e) { @@ -198,7 +198,7 @@ private void comparePdbVsMmcif(String pdbId, int bioMolecule, int mmSize) throws private Structure getPdbBioAssembly(String pdbId, int bioMolecule, boolean multiModel) throws IOException, StructureException { // get bio assembly from PDB file AtomCache cache = new AtomCache(); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); StructureIO.setAtomCache(cache); Structure pdbS = StructureIO.getBiologicalAssembly(pdbId, bioMolecule, multiModel); return pdbS; @@ -207,7 +207,7 @@ private Structure getPdbBioAssembly(String pdbId, int bioMolecule, boolean multi private Structure getMmcifBioAssembly(String pdbId, int bioMolecule, boolean multiModel) throws IOException, StructureException { // get bio assembly from mmcif file AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); Structure mmcifS = StructureIO.getBiologicalAssembly(pdbId, bioMolecule, multiModel); return mmcifS; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestTitleParsing.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestTitleParsing.java index 6b0be0663e..40b1368027 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestTitleParsing.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestTitleParsing.java @@ -22,6 +22,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; @@ -48,9 +49,9 @@ public void test2W6E() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure sPdb = StructureIO.getStructure("2W6E"); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure sCif = StructureIO.getStructure("2W6E"); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestWriteLargeCoordinatePDB.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestWriteLargeCoordinatePDB.java index 78137f73e2..0588d54d01 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestWriteLargeCoordinatePDB.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestWriteLargeCoordinatePDB.java @@ -28,6 +28,7 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; @@ -41,7 +42,7 @@ public class TestWriteLargeCoordinatePDB { public void TestWrite5D9Q() throws IOException, StructureException { AtomCache cache = new AtomCache(); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); FileParsingParameters params = new FileParsingParameters(); params.setHeaderOnly(false); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestChemCompProvider.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestChemCompProvider.java index 89af60dc65..cf818c5c18 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestChemCompProvider.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestChemCompProvider.java @@ -46,7 +46,6 @@ public class TestChemCompProvider { // Short test with bad ligand name (QNA is bogus) final String DNAexample = - "ATOM 1 H MET A 1 11.756 -15.759 11.647 1.00 7.95\n" + "ATOM 2 N MET A 1 12.461 -16.373 11.329 1.00 7.95\n" + "ATOM 3 CA MET A 1 12.297 -17.782 11.674 1.00 7.95\n" + @@ -181,7 +180,7 @@ public void testNormalStructure() throws StructureException, IOException { long startTime = System.currentTimeMillis(); StructureIO.getStructure("4HHM"); long finishTime = System.currentTimeMillis(); - s_logger.info("ZipChemComp time: "+(finishTime-startTime)+ " ms"); + s_logger.info("ZipChemComp time: {} ms", finishTime - startTime); // Not wanted here for testing, but useful for cleaning up downloaded .cif.gz files. // ZipChemCompProvider.purgeTempFiles(pdbdir.toString()); @@ -189,7 +188,6 @@ public void testNormalStructure() throws StructureException, IOException { @Test public void testGetOneLetterCode() throws Exception { - String oneLetter; oneLetter = ChemCompGroupFactory.getOneLetterCode(ChemCompGroupFactory.getChemComp("ALA")); @@ -202,7 +200,5 @@ public void testGetOneLetterCode() throws Exception { // multiparent case, we should return ? oneLetter = ChemCompGroupFactory.getOneLetterCode(ChemCompGroupFactory.getChemComp("OIM")); assertEquals("?", oneLetter); - } - } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java index 94a9a18fa5..9f1fea5eb4 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java @@ -28,6 +28,7 @@ import org.biojava.nbio.structure.EntityInfo; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemCompGroupFactory; @@ -46,7 +47,7 @@ public void testEntityId() throws IOException, StructureException { // Set up the atom cache to parse on Internal chain id AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); FileParsingParameters params = cache.getFileParsingParams(); DownloadChemCompProvider cc = new DownloadChemCompProvider(); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseInternalChainId.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseInternalChainId.java index 0132d29de4..8c4084745d 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseInternalChainId.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseInternalChainId.java @@ -26,6 +26,7 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; import static org.junit.Assert.*; @@ -40,7 +41,7 @@ public void test2I13() throws IOException, StructureException { AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s = cache.getStructure("2I13"); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseMmcifHeader.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseMmcifHeader.java index 52c76422ec..c0d2423d35 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseMmcifHeader.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseMmcifHeader.java @@ -31,6 +31,7 @@ import org.biojava.nbio.structure.PDBHeader; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; @@ -51,7 +52,7 @@ public class TestParseMmcifHeader { public void testRfactors() throws IOException, StructureException { AtomCache atomCache = new AtomCache(); - atomCache.setUseMmCif(true); + atomCache.setFiletype(StructureFiletype.CIF); Structure structure = atomCache.getStructure("4cup"); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java index 9e850585b6..e400465ecb 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java @@ -20,6 +20,7 @@ */ package org.biojava.nbio.structure.io.mmtf; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.junit.Test; @@ -81,7 +82,7 @@ public int getInterBonds(String pdbId) throws IOException, StructureException { // Download parameters AtomCache cache = new AtomCache(); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); cache.setFetchBehavior(FetchBehavior.FETCH_FILES); FileParsingParameters params = cache.getFileParsingParams(); params.setCreateAtomBonds(true); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java index 96f9dd8c43..04e4cc93df 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java @@ -37,6 +37,7 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemCompGroupFactory; @@ -73,7 +74,7 @@ public void testRoundTrip() throws IOException, StructureException { FileParsingParameters params = new FileParsingParameters(); params.setParseBioAssembly(true); cache.setFileParsingParams(params); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java index 0bed40a6be..acf23d4f88 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java @@ -9,6 +9,7 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemCompGroupFactory; @@ -89,8 +90,7 @@ public void checkNonStandardAminoSeqresGroupsPopulated() throws StructureExcepti AtomCache cache = new AtomCache(); FileParsingParameters params = new FileParsingParameters(); cache.setFileParsingParams(params); - cache.setUseMmCif(false); - cache.setUseMmtf(true); + cache.setFiletype(StructureFiletype.MMTF); StructureIO.setAtomCache(cache); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestCrystalInfo.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestCrystalInfo.java index 501d6eb2af..775588a2ae 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestCrystalInfo.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestCrystalInfo.java @@ -45,13 +45,13 @@ public void test1NMR() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure s1 = StructureIO.getStructure("1NMR"); assertFalse(s1.isCrystallographic()); assertTrue(s1.isNmr()); assertEquals(s1.getPDBHeader().getExperimentalTechniques().iterator().next(),ExperimentalTechnique.SOLUTION_NMR); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s2 = StructureIO.getStructure("1NMR"); assertFalse(s2.isCrystallographic()); assertTrue(s2.isNmr()); @@ -69,14 +69,14 @@ public void test1B8G() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure s1 = StructureIO.getStructure("1B8G"); assertTrue(s1.isCrystallographic()); assertFalse(s1.isNmr()); assertEquals(s1.getPDBHeader().getExperimentalTechniques().iterator().next(),ExperimentalTechnique.XRAY_DIFFRACTION); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s2 = StructureIO.getStructure("1B8G"); assertTrue(s2.isCrystallographic()); assertFalse(s2.isNmr()); @@ -95,7 +95,7 @@ public void test4M7P() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure s1 = StructureIO.getStructure("4M7P"); assertTrue(s1.isCrystallographic()); assertFalse(s1.isNmr()); @@ -103,7 +103,7 @@ public void test4M7P() throws IOException, StructureException { assertEquals(s1.getPDBHeader().getExperimentalTechniques().iterator().next(),ExperimentalTechnique.XRAY_DIFFRACTION); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s2 = StructureIO.getStructure("4M7P"); assertTrue(s2.isCrystallographic()); assertFalse(s2.isNmr()); @@ -123,7 +123,7 @@ public void test2MBQ() throws IOException, StructureException { StructureIO.setAtomCache(cache); - cache.setUseMmCif(false); + cache.setFiletype(StructureFiletype.PDB); Structure s1 = StructureIO.getStructure("2MBQ"); assertFalse(s1.isCrystallographic()); assertTrue(s1.isNmr()); @@ -131,7 +131,7 @@ public void test2MBQ() throws IOException, StructureException { assertEquals(s1.getPDBHeader().getExperimentalTechniques().iterator().next(),ExperimentalTechnique.SOLUTION_NMR); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); Structure s2 = StructureIO.getStructure("2MBQ"); assertFalse(s2.isCrystallographic()); assertTrue(s2.isNmr()); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestInterfaceClustering.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestInterfaceClustering.java index af80c99ae1..bb5fe0b74c 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestInterfaceClustering.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestInterfaceClustering.java @@ -32,6 +32,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.asa.GroupAsa; @@ -55,7 +56,7 @@ public void test3DDO() throws IOException, StructureException { FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(true); cache.setFileParsingParams(params); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); @@ -103,7 +104,7 @@ public void test1AUY() throws IOException, StructureException { FileParsingParameters params = new FileParsingParameters(); params.setAlignSeqRes(true); cache.setFileParsingParams(params); - cache.setUseMmCif(true); + cache.setFiletype(StructureFiletype.CIF); StructureIO.setAtomCache(cache); From e7f563d78c31227d4f09736f5e6c6050da2d6a7d Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Mon, 25 Jan 2021 13:13:45 -0800 Subject: [PATCH 242/821] fix bcif download --- .../org/biojava/nbio/structure/io/LocalPDBDirectory.java | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java index 61735ecfa6..72ff6dee38 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java @@ -517,8 +517,11 @@ private File downloadStructure(String pdbId, String pathOnServer, boolean obsole String ftp; - if (getFilename(pdbId).endsWith(".mmtf.gz")){ + String filename = getFilename(pdbId); + if (filename.endsWith(".mmtf.gz")){ ftp = CodecUtils.getMmtfEntryUrl(pdbId, true, false); + } else if (filename.endsWith(".bcif") || filename.endsWith(".bcif.gz")) { + ftp = "https://models.rcsb.org/" + filename; } else { ftp = String.format("%s%s/%s/%s", serverName, pathOnServer, pdbId.substring(1,3).toLowerCase(), getFilename(pdbId)); From 0c00caca270976872b4423d0d344e00bd1e8fe28 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Mon, 25 Jan 2021 15:59:53 -0800 Subject: [PATCH 243/821] fix chemcomp type --- .../java/org/biojava/nbio/structure/chem/ResidueType.java | 4 ++++ .../nbio/structure/io/mmcif/TestEntityNameAndType.java | 3 +++ 2 files changed, 7 insertions(+) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ResidueType.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ResidueType.java index ddcaac453c..33390df136 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ResidueType.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ResidueType.java @@ -88,6 +88,10 @@ public PolymerType getPolymerType() { * @return */ public static ResidueType getResidueTypeFromString(String chem_comp_type) { + if (chem_comp_type == null) { + return null; + } + // Almost all calls to this method are for L-peptide linking. Use this knowledge for a shortcut. if (chem_comp_type.equalsIgnoreCase(lPeptideLinking.chem_comp_type)) { return lPeptideLinking; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java index 9f1fea5eb4..88b5c3cc40 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java @@ -23,6 +23,7 @@ import static org.junit.Assert.assertArrayEquals; import java.io.IOException; +import java.util.Arrays; import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.EntityInfo; @@ -97,6 +98,8 @@ public void testEntityId() throws IOException, StructureException { assertArrayEquals(descriptionInformation, testDescInfo); assertArrayEquals(typeInformation, testTypeInfo); // Now check these work too + System.out.println(Arrays.toString(geneSourceSciName)); + System.out.println(Arrays.toString(testGeneSourceSciName)); assertArrayEquals(geneSourceSciName, testGeneSourceSciName); assertArrayEquals(geneSourceTaxId, testGeneSourceTaxId); assertArrayEquals(hostOrganismSciName, testHostOrganismSciName); From 85b6c6b3e7794f38a2cf916c865e8981163f9028 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 26 Jan 2021 10:39:34 -0800 Subject: [PATCH 244/821] chem comp parsing errors & missing crystal translation --- .../chem/DownloadChemCompProvider.java | 11 ++++-- .../structure/io/cif/ChemCompConverter.java | 1 - .../io/cif/StructureConsumerImpl.java | 3 ++ .../biojava/nbio/structure/TestAtomCache.java | 36 ++++++------------- 4 files changed, 22 insertions(+), 29 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java index 71a17b7292..e250a1ebd8 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/DownloadChemCompProvider.java @@ -5,6 +5,7 @@ import org.biojava.nbio.structure.align.util.UserConfiguration; import org.biojava.nbio.structure.io.LocalPDBDirectory; import org.biojava.nbio.structure.io.cif.ChemCompConverter; +import org.rcsb.cif.ParsingException; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -217,8 +218,14 @@ public ChemComp getChemComp(String recordName) { if (haveFile) { String filename = getLocalFileName(recordName); try { - ChemicalComponentDictionary dict = ChemCompConverter.fromPath(Paths.get(filename)); - ChemComp chemComp = dict.getChemComp(recordName); + ChemComp chemComp; + try { + ChemicalComponentDictionary dict = ChemCompConverter.fromPath(Paths.get(filename)); + chemComp = dict.getChemComp(recordName); + } catch (ParsingException e) { + // happens for corrupt files + chemComp = null; + } // May be null if the file was corrupt. Fall back on ReducedChemCompProvider in that case if (chemComp != null) { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java index d234d27dc4..aec300e717 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java @@ -1,6 +1,5 @@ package org.biojava.nbio.structure.io.cif; -import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.chem.ChemicalComponentDictionary; import org.biojava.nbio.structure.io.FileParsingParameters; import org.rcsb.cif.CifIO; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java index d858536847..346ac12d41 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java @@ -1377,14 +1377,17 @@ private void setStructNcsOps() { operator.setElement(0, 0, structNcsOper.getMatrix11().get(rowIndex)); operator.setElement(0, 1, structNcsOper.getMatrix12().get(rowIndex)); operator.setElement(0, 2, structNcsOper.getMatrix13().get(rowIndex)); + operator.setElement(0, 3, structNcsOper.getVector1().get(rowIndex)); operator.setElement(1, 0, structNcsOper.getMatrix21().get(rowIndex)); operator.setElement(1, 1, structNcsOper.getMatrix22().get(rowIndex)); operator.setElement(1, 2, structNcsOper.getMatrix23().get(rowIndex)); + operator.setElement(1, 3, structNcsOper.getVector2().get(rowIndex)); operator.setElement(2, 0, structNcsOper.getMatrix31().get(rowIndex)); operator.setElement(2, 1, structNcsOper.getMatrix32().get(rowIndex)); operator.setElement(2, 2, structNcsOper.getMatrix33().get(rowIndex)); + operator.setElement(2, 3, structNcsOper.getVector3().get(rowIndex)); operator.setElement(3, 0, 0); operator.setElement(3, 1, 0); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java index 17c6836a4f..5de3eca23a 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java @@ -220,45 +220,32 @@ public void testFetchObsolete() throws IOException, StructureException { } - @Test public void testSettingFileParsingType(){ - AtomCache cache = new AtomCache(); //test defaults - // first is mmtf, second is mmcif - testFlags(cache,true,false); + testFlags(cache, false, false, true); // now change the values - cache.setFiletype(StructureFiletype.CIF); - - testFlags(cache,false,true); + testFlags(cache, false, true, false); cache.setFiletype(StructureFiletype.MMTF); - - testFlags(cache,true,false); + testFlags(cache, true, false, false); // this sets to use PDB! cache.setFiletype(StructureFiletype.PDB); + testFlags(cache, false, false, false); - testFlags(cache,false,false); - - // back to defaults + // back to MMTF cache.setFiletype(StructureFiletype.MMTF); - - testFlags(cache,true,false); - + testFlags(cache, true, false, false); // back to parsing PDB cache.setFiletype(StructureFiletype.PDB); - - testFlags(cache,false,false); - - - + testFlags(cache, false, false, false); } @@ -268,15 +255,12 @@ public void testSettingFileParsingType(){ * @param useMmTf * @param useMmCif */ - private void testFlags(AtomCache cache ,boolean useMmTf, boolean useMmCif) { - + private void testFlags(AtomCache cache ,boolean useMmTf, boolean useMmCif, boolean useBcif) { assertEquals("flag for parsing mmtf is set to " + cache.getFiletype() + " but should be " + useMmTf, cache.getFiletype() == StructureFiletype.MMTF, useMmTf); assertEquals("flag for parsing mmcif is set to " + cache.getFiletype() + " but should be set to " + useMmCif, cache.getFiletype() == StructureFiletype.CIF, useMmCif); - - - + assertEquals("flag for parsing bcif is set to " + cache.getFiletype() + " but should be set to " + useBcif, + cache.getFiletype() == StructureFiletype.BCIF, useBcif); } - } From e9c59f677f33a4d89bb539be80df36dd91af2e9b Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 26 Jan 2021 11:10:00 -0800 Subject: [PATCH 245/821] fix entity parsing --- .../nbio/structure/io/cif/StructureConsumerImpl.java | 6 +++--- .../nbio/structure/io/mmcif/TestEntityNameAndType.java | 2 -- 2 files changed, 3 insertions(+), 5 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java index 346ac12d41..e49d9aaefe 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java @@ -1315,7 +1315,7 @@ private void addAncilliaryEntityData(int asymRowIndex, EntityInfo entityInfo) { // This is a potentially huge assumption... for (int rowIndex = 0; rowIndex < entitySrcGen.getRowCount(); rowIndex++) { - if (entitySrcGen.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { + if (!entitySrcGen.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { continue; } @@ -1323,7 +1323,7 @@ private void addAncilliaryEntityData(int asymRowIndex, EntityInfo entityInfo) { } for (int rowIndex = 0; rowIndex < entitySrcNat.getRowCount(); rowIndex++) { - if (entitySrcNat.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { + if (!entitySrcNat.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { continue; } @@ -1331,7 +1331,7 @@ private void addAncilliaryEntityData(int asymRowIndex, EntityInfo entityInfo) { } for (int rowIndex = 0; rowIndex < entitySrcSyn.getRowCount(); rowIndex++) { - if (entitySrcSyn.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { + if (!entitySrcSyn.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { continue; } diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java index 88b5c3cc40..444a7b800e 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java @@ -98,8 +98,6 @@ public void testEntityId() throws IOException, StructureException { assertArrayEquals(descriptionInformation, testDescInfo); assertArrayEquals(typeInformation, testTypeInfo); // Now check these work too - System.out.println(Arrays.toString(geneSourceSciName)); - System.out.println(Arrays.toString(testGeneSourceSciName)); assertArrayEquals(geneSourceSciName, testGeneSourceSciName); assertArrayEquals(geneSourceTaxId, testGeneSourceTaxId); assertArrayEquals(hostOrganismSciName, testHostOrganismSciName); From c30ab8f4a329279b04c0c2d7e351678cb6533f28 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Tue, 26 Jan 2021 11:19:17 -0800 Subject: [PATCH 246/821] Solving jaxb warning --- pom.xml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/pom.xml b/pom.xml index 411aa6d1be..66521c8b2f 100644 --- a/pom.xml +++ b/pom.xml @@ -519,17 +519,17 @@ javax.xml.bind jaxb-api - 2.3.0 + 2.3.1 com.sun.xml.bind jaxb-core - 2.3.0 + 2.3.0.1 com.sun.xml.bind jaxb-impl - 2.3.0 + 2.3.3 javax.activation From 28815dbd5c5d08cdad8a7b2e486cefb3b7a02106 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 26 Jan 2021 11:41:12 -0800 Subject: [PATCH 247/821] handle missing rfree/rwork --- .../biojava/nbio/structure/io/cif/StructureConsumerImpl.java | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java index e49d9aaefe..35f46dc066 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java @@ -39,6 +39,7 @@ import org.rcsb.cif.model.FloatColumn; import org.rcsb.cif.model.IntColumn; import org.rcsb.cif.model.StrColumn; +import org.rcsb.cif.model.ValueKind; import org.rcsb.cif.schema.mm.AtomSite; import org.rcsb.cif.schema.mm.AtomSites; import org.rcsb.cif.schema.mm.AuditAuthor; @@ -829,7 +830,7 @@ public void consumeRefine(Refine refine) { logger.warn("More than 1 Rfree value present, will use last one {} and discard previous {}", lsRFactorRFree, String.format("%4.2f",pdbHeader.getRfree())); } - if (lsRFactorRFree.isDefined()) { + if (lsRFactorRFree.isDefined() && lsRFactorRFree.getValueKind(rowIndex) == ValueKind.PRESENT) { pdbHeader.setRfree((float) lsRFactorRFree.get(rowIndex)); } else { // some entries like 2ifo haven't got this field at all @@ -842,7 +843,7 @@ public void consumeRefine(Refine refine) { logger.warn("More than 1 R work value present, will use last one {} and discard previous {} ", lsRFactorRWork, String.format("%4.2f",pdbHeader.getRwork())); } - if (lsRFactorRWork.isDefined()) { + if (lsRFactorRWork.isDefined() && lsRFactorRWork.getValueKind(rowIndex) == ValueKind.PRESENT) { pdbHeader.setRwork((float) lsRFactorRWork.get(rowIndex)); } else { logger.info("_refine.ls_R_factor_R_work not present, not parsing R-work value"); From f36f82cb601895aa2f78f1dd440a072762cb0516 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 26 Jan 2021 11:59:45 -0800 Subject: [PATCH 248/821] SCOP hack to force loading of MMTF --- .../nbio/structure/align/util/AtomCache.java | 30 ++++++++++++++++++- 1 file changed, 29 insertions(+), 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java index 4181792515..3067e5955d 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java @@ -524,7 +524,8 @@ public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatab public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatabase, boolean strictLigandHandling) throws IOException, StructureException { String pdbId = domain.getPdbId(); - Structure fullStructure = getStructureForPdbId(pdbId); + // SMB 1/26/21 - forcing loading MMTF here - TODO why doesn't mmCIF/CIF/BCIF parsing work here? + Structure fullStructure = getStructureForPdbIdByMmtf(pdbId); Structure structure = domain.reduce(fullStructure); // TODO It would be better to move all of this into the reduce method, @@ -800,6 +801,33 @@ public Structure getStructureForPdbId(String pdbId) throws IOException, Structur } } + /** + * SCOP parsing depends on MMTF, this a dedicated method to allow for that. + * @param pdbId what to load + * @return a Structure object + * @throws IOException + * @throws StructureException + */ + private Structure getStructureForPdbIdByMmtf(String pdbId) throws IOException, StructureException { + if (pdbId == null) + return null; + if (pdbId.length() != 4) { + throw new StructureException("Unrecognized PDB ID: " + pdbId); + } + while (checkLoading(pdbId)) { + // waiting for loading to be finished... + + try { + Thread.sleep(100); + } catch (InterruptedException e) { + logger.error(e.getMessage()); + } + } + + logger.debug("loading from mmtf"); + return loadStructureFromMmtfByPdbId(pdbId); + } + /** * Load a {@link Structure} from MMTF either from the local file system. * @param pdbId the input PDB id From 63d2ee7d2e25f929b9630cc5eebe4b102fa4bb58 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 26 Jan 2021 12:23:10 -0800 Subject: [PATCH 249/821] bcif/models URL is a constant --- .../org/biojava/nbio/structure/io/LocalPDBDirectory.java | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java index d207c5c886..2db30b046f 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/LocalPDBDirectory.java @@ -63,6 +63,11 @@ public abstract class LocalPDBDirectory implements StructureIOFile { public static final String DEFAULT_PDB_FILE_SERVER = "http://ftp.wwpdb.org"; public static final String PDB_FILE_SERVER_PROPERTY = "PDB.FILE.SERVER"; + /** + * The default server to retrieve BinaryCIF files. + */ + public static final String DEFAULT_BCIF_FILE_SERVER = "https://models.rcsb.org/"; + /** * Behaviors for when an obsolete structure is requested. * @author Spencer Bliven @@ -521,7 +526,8 @@ private File downloadStructure(String pdbId, String pathOnServer, boolean obsole if (filename.endsWith(".mmtf.gz")){ ftp = CodecUtils.getMmtfEntryUrl(pdbId, true, false); } else if (filename.endsWith(".bcif") || filename.endsWith(".bcif.gz")) { - ftp = "https://models.rcsb.org/" + filename; + // TODO this should be configurable + ftp = DEFAULT_BCIF_FILE_SERVER + filename; } else { ftp = String.format("%s%s/%s/%s", serverName, pathOnServer, pdbId.substring(1,3).toLowerCase(), getFilename(pdbId)); From 2d4cc74edd6f3a88689a6de40b579a701230a351 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 26 Jan 2021 14:41:25 -0800 Subject: [PATCH 250/821] StructureInterface#toMMCIF --- .../structure/contact/StructureInterface.java | 95 ++++++++++--------- .../io/cif/AbstractCifFileSupplier.java | 20 ++-- .../structure/io/cif/CifFileSupplier.java | 2 - 3 files changed, 59 insertions(+), 58 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java index de50722b34..72a4cc2178 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/contact/StructureInterface.java @@ -20,12 +20,6 @@ */ package org.biojava.nbio.structure.contact; -import java.io.Serializable; -import java.util.ArrayList; -import java.util.List; -import java.util.Map; -import java.util.TreeMap; - import org.biojava.nbio.structure.Atom; import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Element; @@ -40,10 +34,24 @@ import org.biojava.nbio.structure.chem.PolymerType; import org.biojava.nbio.structure.io.FileConvert; import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.cif.AbstractCifFileSupplier; import org.biojava.nbio.structure.xtal.CrystalTransform; +import org.rcsb.cif.CifBuilder; +import org.rcsb.cif.CifIO; +import org.rcsb.cif.model.Category; +import org.rcsb.cif.schema.StandardSchemata; +import org.rcsb.cif.schema.mm.MmCifBlockBuilder; import org.slf4j.Logger; import org.slf4j.LoggerFactory; +import java.io.IOException; +import java.io.Serializable; +import java.io.UncheckedIOException; +import java.util.ArrayList; +import java.util.List; +import java.util.Map; +import java.util.TreeMap; + /** * An interface between 2 molecules (2 sets of atoms). @@ -748,45 +756,46 @@ public String toPDB() { * @return the mmCIF-formatted string */ public String toMMCIF() { - StringBuilder sb = new StringBuilder(); + String molecId1 = getMoleculeIds().getFirst(); + String molecId2 = getMoleculeIds().getSecond(); - // TODO impl -// String molecId1 = getMoleculeIds().getFirst(); -// String molecId2 = getMoleculeIds().getSecond(); -// -// if (isSymRelated()) { -// // if both chains are named equally we want to still named them differently in the output mmcif file -// // so that molecular viewers can handle properly the 2 chains as separate entities -// molecId2 = molecId2 + "_" +getTransforms().getSecond().getTransformId(); -// } -// -// sb.append(SimpleMMcifParser.MMCIF_TOP_HEADER).append("BioJava_interface_").append(getId()).append(System.getProperty("line.separator")); -// -// sb.append(FileConvert.getAtomSiteHeader()); -// -// // we reassign atom ids if sym related (otherwise atom ids would be duplicated and some molecular viewers can't cope with that) -// int atomId = 1; -// List atomSites = new ArrayList<>(); -// for (Atom atom:this.molecules.getFirst()) { -// if (isSymRelated()) { -// atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId1, molecId1, atomId)); -// } else { -// atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId1, molecId1)); -// } -// atomId++; -// } -// for (Atom atom:this.molecules.getSecond()) { -// if (isSymRelated()) { -// atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId2, molecId2, atomId)); -// } else { -// atomSites.add(MMCIFFileTools.convertAtomToAtomSite(atom, 1, molecId2, molecId2)); -// } -// atomId++; -// } -// -// sb.append(MMCIFFileTools.toMMCIF(atomSites,AtomSite.class)); + if (isSymRelated()) { + // if both chains are named equally we want to still named them differently in the output mmcif file + // so that molecular viewers can handle properly the 2 chains as separate entities + molecId2 = molecId2 + "_" + getTransforms().getSecond().getTransformId(); + } - return sb.toString(); + MmCifBlockBuilder mmCifBlockBuilder = CifBuilder.enterFile(StandardSchemata.MMCIF) + .enterBlock("BioJava_interface_" + getId()); + + // we reassign atom ids if sym related (otherwise atom ids would be duplicated and some molecular viewers can't cope with that) + int atomId = 1; + List wrappedAtoms = new ArrayList<>(); + for (Atom atom : this.molecules.getFirst()) { + if (isSymRelated()) { + wrappedAtoms.add(new AbstractCifFileSupplier.WrappedAtom(1, molecId1, molecId1, atom, atomId)); + } else { + wrappedAtoms.add(new AbstractCifFileSupplier.WrappedAtom(1, molecId1, molecId1, atom, atom.getPDBserial())); + } + atomId++; + } + for (Atom atom : this.molecules.getSecond()) { + if (isSymRelated()) { + wrappedAtoms.add(new AbstractCifFileSupplier.WrappedAtom(1, molecId2, molecId2, atom, atomId)); + } else { + wrappedAtoms.add(new AbstractCifFileSupplier.WrappedAtom(1, molecId2, molecId2, atom, atom.getPDBserial())); + } + atomId++; + } + + Category atomSite = wrappedAtoms.stream().collect(AbstractCifFileSupplier.toAtomSite()); + mmCifBlockBuilder.addCategory(atomSite); + + try { + return new String(CifIO.writeText(mmCifBlockBuilder.leaveBlock().leaveFile())); + } catch (IOException e) { + throw new UncheckedIOException(e); + } } @Override diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java index 0c039467c1..2cb5e11acf 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java @@ -107,7 +107,7 @@ protected void handleChain(Chain chain, int model, List wrappedAtom continue; } - uniqueAtoms.put(atom.getPDBserial(), new WrappedAtom(chain, model, chainName, chainId, atom, atom.getPDBserial())); + uniqueAtoms.put(atom.getPDBserial(), new WrappedAtom(model, chainName, chainId, atom, atom.getPDBserial())); } if (group.hasAltLoc()) { @@ -118,7 +118,7 @@ protected void handleChain(Chain chain, int model, List wrappedAtom continue; } - uniqueAtoms.put(atom.getPDBserial(), new WrappedAtom(chain, model, chainName, chainId, atom, atom.getPDBserial())); + uniqueAtoms.put(atom.getPDBserial(), new WrappedAtom(model, chainName, chainId, atom, atom.getPDBserial())); } } } @@ -127,16 +127,14 @@ protected void handleChain(Chain chain, int model, List wrappedAtom } } - static class WrappedAtom { - private final Chain chain; + public static class WrappedAtom { private final int model; private final String chainName; private final String chainId; private final Atom atom; private final int atomId; - WrappedAtom(Chain chain, int model, String chainName, String chainId, Atom atom, int atomId) { - this.chain = chain; + public WrappedAtom(int model, String chainName, String chainId, Atom atom, int atomId) { this.model = model; this.chainName = chainName; this.chainId = chainId; @@ -144,10 +142,6 @@ static class WrappedAtom { this.atomId = atomId; } - Chain getChain() { - return chain; - } - int getModel() { return model; } @@ -169,7 +163,7 @@ int getAtomId() { } } - private static Collector toAtomSite() { + public static Collector toAtomSite() { return Collector.of(AtomSiteCollector::new, AtomSiteCollector::accept, AtomSiteCollector::combine, @@ -255,7 +249,7 @@ public void accept(WrappedAtom wrappedAtom) { labelEntityId.add(entityId); labelSeqId.add(seqId); String insCode = ""; - if (group.getResidueNumber().getInsCode() != null ) { + if (group.getResidueNumber().getInsCode() != null) { insCode = Character.toString(group.getResidueNumber().getInsCode()); } if (insCode.isEmpty()) { @@ -276,7 +270,7 @@ public void accept(WrappedAtom wrappedAtom) { } AtomSiteCollector combine(AtomSiteCollector other) { - throw new UnsupportedOperationException("impl by calling addAll for all collection"); + throw new UnsupportedOperationException("impl by calling addAll for all collections"); } Category get() { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java index 08f35fce54..e46a0bf058 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java @@ -2,8 +2,6 @@ import org.rcsb.cif.model.CifFile; -import java.util.function.Supplier; - /** * Create a CifFile instance for a given container of structure data. * @param the container type used as source From b7a40c545ff7aad55ee12433a51ea87fc8e09957 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 26 Jan 2021 18:04:43 -0800 Subject: [PATCH 251/821] TODO TestHardBioUnits --- .../java/org/biojava/nbio/structure/io/TestHardBioUnits.java | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java index b205bd2140..2c73fe0e0d 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java @@ -108,6 +108,10 @@ public void test4A1I() throws IOException, StructureException { String pdbId = "4A1I"; int biolAssemblyNr = 2; + AtomCache atomCache = new AtomCache(); + // TODO there seem to be numerical instabilities when parsing BCIF + atomCache.setFiletype(StructureFiletype.CIF); + StructureIO.setAtomCache(atomCache); Structure bioAssembly = StructureIO.getBiologicalAssembly(pdbId,biolAssemblyNr); if ( bioAssembly == null){ From 2f91dbf2d3085076f2b38f0e90c5c304c2c86727 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 26 Jan 2021 18:23:12 -0800 Subject: [PATCH 252/821] those aren't the FloatColumns you're looking for --- .../nbio/structure/io/cif/MetalBondConsumerImpl.java | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java index d9d03a9590..4d484e5465 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java @@ -33,15 +33,15 @@ public void finish() { public void consume(Category category) { StrColumn atomType1 = (StrColumn) category.getColumn("atom_type_1"); StrColumn atomType2 = (StrColumn) category.getColumn("atom_type_2"); - FloatColumn lowerLimit = (FloatColumn) category.getColumn("lower_limit"); - FloatColumn upperLimit = (FloatColumn) category.getColumn("upper_limit"); + StrColumn lowerLimit = (StrColumn) category.getColumn("lower_limit"); + StrColumn upperLimit = (StrColumn) category.getColumn("upper_limit"); for (int i = 0; i < category.getRowCount(); i++) { MetalBondDistance d = new MetalBondDistance(); d.setAtomType1(atomType1.get(i)); d.setAtomType2(atomType2.get(i)); - d.setLowerLimit((float) lowerLimit.get(i)); - d.setUpperLimit((float) upperLimit.get(i)); + d.setLowerLimit(Float.parseFloat(lowerLimit.get(i))); + d.setUpperLimit(Float.parseFloat(upperLimit.get(i))); List defs = definitions.computeIfAbsent(d.getAtomType1(), k -> new ArrayList<>()); defs.add(d); From 9f42c9c142207737970489115a9880096cacc111 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 26 Jan 2021 18:51:31 -0800 Subject: [PATCH 253/821] trigger build --- .../org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java | 1 - 1 file changed, 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java index 4d484e5465..7a5d600c79 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumerImpl.java @@ -2,7 +2,6 @@ import org.biojava.nbio.structure.chem.MetalBondDistance; import org.rcsb.cif.model.Category; -import org.rcsb.cif.model.FloatColumn; import org.rcsb.cif.model.StrColumn; import java.util.ArrayList; From 454830a223fb4a2b90c7d7650033b99ffad4783c Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Wed, 27 Jan 2021 09:20:52 -0800 Subject: [PATCH 254/821] docs --- .../structure/test/StructureToolsTest.java | 1 + .../biojava/nbio/structure/test/Test1o2f.java | 2 +- .../test/io/TestAtomCachePerformance.java | 2 +- .../structure/test/io/TestBioassemblies.java | 2 +- .../test/io/TestCrystallographicMetadata.java | 2 +- .../test/io/TestLongPdbVsMmCifParsing.java | 1 + .../io/TestStructWithMultiparentChemComp.java | 2 +- .../cif/CifFileSupplierIntegrationTest.java | 10 +- .../TestQuatSymmetryDetectorExamples.java | 2 +- .../test/xtal/TestCrystalBuilder.java | 2 +- .../main/java/demo/DemoQuatSymmetryJmol.java | 2 +- .../main/java/demo/DemoShowLargeAssembly.java | 2 +- .../src/main/java/demo/DemoAsa.java | 2 +- .../src/main/java/demo/DemoContacts.java | 1 + .../main/java/demo/DemoCrystalInterfaces.java | 2 +- .../src/main/java/demo/DemoLoadSecStruc.java | 2 +- .../src/main/java/demo/DemoMMCIFReader.java | 1 + .../java/demo/DemoMmcifToPdbConverter.java | 4 +- .../org/biojava/nbio/structure/Chain.java | 1 + .../nbio/structure/DatabasePDBRevRecord.java | 7 +- .../org/biojava/nbio/structure/Group.java | 103 ++++++------ .../biojava/nbio/structure/StructureIO.java | 1 + .../biojava/nbio/structure/URLIdentifier.java | 7 +- .../nbio/structure/align/util/AtomCache.java | 1 + .../align/util/UserConfiguration.java | 156 +++++++++++------- .../biojava/nbio/structure/chem/ChemComp.java | 4 +- .../nbio/structure/chem/ChemCompAtom.java | 7 +- .../nbio/structure/chem/ChemCompBond.java | 7 +- .../structure/chem/ChemCompDescriptor.java | 7 +- .../nbio/structure/io/BcifFileReader.java | 6 +- .../nbio/structure/io/CifFileReader.java | 6 +- .../nbio/structure/io/FileConvert.java | 15 +- .../structure/{ => io}/StructureFiletype.java | 9 +- .../io/cif/AbstractCifFileSupplier.java | 28 +++- .../structure/io/cif/ChemCompConsumer.java | 18 +- .../io/cif/ChemCompConsumerImpl.java | 4 + .../structure/io/cif/ChemCompConverter.java | 4 +- .../nbio/structure/io/cif/CifBean.java | 9 +- ...ierImpl.java => CifChainSupplierImpl.java} | 6 +- .../structure/io/cif/CifFileConsumer.java | 3 +- .../structure/io/cif/CifFileSupplier.java | 2 +- ...onsumer.java => CifStructureConsumer.java} | 7 +- ...mpl.java => CifStructureConsumerImpl.java} | 8 +- ...verter.java => CifStructureConverter.java} | 14 +- ...mpl.java => CifStructureSupplierImpl.java} | 6 +- .../structure/io/cif/MetalBondConsumer.java | 7 +- .../structure/io/cif/MetalBondConverter.java | 2 +- .../nbio/structure/io/mmtf/MmtfUtils.java | 3 +- .../org/biojava/nbio/structure/Test2JA5.java | 1 + .../org/biojava/nbio/structure/Test4hhb.java | 4 +- .../biojava/nbio/structure/TestAltLocs.java | 13 +- .../biojava/nbio/structure/TestAtomCache.java | 1 + .../org/biojava/nbio/structure/TestBond.java | 1 + .../biojava/nbio/structure/TestCloning.java | 1 + .../structure/TestEntityResIndexMapping.java | 1 + .../structure/TestExperimentalTechniques.java | 1 + .../structure/TestLoadStructureFromURL.java | 1 + .../nbio/structure/TestParsingCalcium.java | 1 + .../TestStructureCrossReferences.java | 1 + .../structure/align/util/AtomCacheTest.java | 2 +- .../structure/io/TestDifficultMmCIFFiles.java | 7 +- .../nbio/structure/io/TestHardBioUnits.java | 1 - .../nbio/structure/io/TestHeaderOnly.java | 5 +- .../nbio/structure/io/TestMMCIFWriting.java | 7 +- .../io/TestMMcifOrganismParsing.java | 1 - .../structure/io/TestNonDepositedFiles.java | 13 +- .../structure/io/TestParseMmCIFFeatures.java | 1 - .../structure/io/TestParseMmCIFLigands.java | 1 - .../nbio/structure/io/TestParseOnAsymId.java | 1 - .../nbio/structure/io/TestTitleParsing.java | 1 - .../io/TestWriteLargeCoordinatePDB.java | 1 - .../io/mmcif/TestEntityNameAndType.java | 3 +- .../io/mmcif/TestParseInternalChainId.java | 2 +- .../io/mmcif/TestParseMmcifHeader.java | 2 +- .../structure/io/mmtf/TestBondFinding.java | 2 +- .../structure/io/mmtf/TestMmtfRoundTrip.java | 8 +- .../io/mmtf/TestMmtfStructureReader.java | 2 +- .../nbio/structure/xtal/TestCrystalInfo.java | 1 + .../xtal/TestInterfaceClustering.java | 2 +- 79 files changed, 357 insertions(+), 232 deletions(-) rename biojava-structure/src/main/java/org/biojava/nbio/structure/{ => io}/StructureFiletype.java (75%) rename biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/{ChainSupplierImpl.java => CifChainSupplierImpl.java} (77%) rename biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/{StructureConsumer.java => CifStructureConsumer.java} (98%) rename biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/{StructureConsumerImpl.java => CifStructureConsumerImpl.java} (99%) rename biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/{StructureConverter.java => CifStructureConverter.java} (95%) rename biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/{StructureSupplierImpl.java => CifStructureSupplierImpl.java} (83%) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java index 510b071200..53bf6fe9ad 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java @@ -29,6 +29,7 @@ import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileParser; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Before; import org.junit.Test; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1o2f.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1o2f.java index af1ec695f7..d2795e28c4 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1o2f.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/Test1o2f.java @@ -22,7 +22,7 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestAtomCachePerformance.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestAtomCachePerformance.java index 03bf297484..5a89995450 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestAtomCachePerformance.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestAtomCachePerformance.java @@ -22,7 +22,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.junit.BeforeClass; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestBioassemblies.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestBioassemblies.java index 001dd5434e..f85c2a275b 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestBioassemblies.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestBioassemblies.java @@ -28,7 +28,7 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestCrystallographicMetadata.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestCrystallographicMetadata.java index c41ac34410..1c4db79571 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestCrystallographicMetadata.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestCrystallographicMetadata.java @@ -20,7 +20,7 @@ */ package org.biojava.nbio.structure.test.io; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Test; import static org.junit.Assert.*; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestLongPdbVsMmCifParsing.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestLongPdbVsMmCifParsing.java index fc529b75e3..3d788e830c 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestLongPdbVsMmCifParsing.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestLongPdbVsMmCifParsing.java @@ -24,6 +24,7 @@ import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.xtal.CrystalCell; import org.junit.After; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestStructWithMultiparentChemComp.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestStructWithMultiparentChemComp.java index 83059e7ea4..8aa6643fa4 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestStructWithMultiparentChemComp.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/TestStructWithMultiparentChemComp.java @@ -20,7 +20,7 @@ */ package org.biojava.nbio.structure.test.io; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Test; import static org.junit.Assert.*; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java index 8e59c8a931..5cda83225d 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/io/cif/CifFileSupplierIntegrationTest.java @@ -12,7 +12,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; import org.junit.Test; import java.io.ByteArrayInputStream; @@ -49,10 +49,10 @@ public void test1A2C() throws IOException { private static void testRoundTrip(String pdbId) throws IOException { URL url = new URL("https://files.rcsb.org/download/" + pdbId + ".cif"); - Structure originalStruct = StructureConverter.fromURL(url); + Structure originalStruct = CifStructureConverter.fromURL(url); - InputStream inputStream = new ByteArrayInputStream(StructureConverter.toText(originalStruct).getBytes()); - Structure readStruct = StructureConverter.fromInputStream(inputStream); + InputStream inputStream = new ByteArrayInputStream(CifStructureConverter.toText(originalStruct).getBytes()); + Structure readStruct = CifStructureConverter.fromInputStream(inputStream); assertNotNull(readStruct); assertEquals(originalStruct.getChains().size(), readStruct.getChains().size()); @@ -113,7 +113,7 @@ private static void testRoundTrip(String pdbId) throws IOException { @Test public void testBiounitWriting() throws IOException { Structure s = createDummyStructure(); - String mmcif = StructureConverter.toText(s); + String mmcif = CifStructureConverter.toText(s); String[] lines = mmcif.split("\n"); long atomLines = Arrays.stream(lines).filter(l -> l.startsWith("ATOM")).count(); assertNotNull(mmcif); diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java index c46087eb58..08946e3e0a 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/symmetry/TestQuatSymmetryDetectorExamples.java @@ -27,7 +27,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.align.util.AtomCache; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/xtal/TestCrystalBuilder.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/xtal/TestCrystalBuilder.java index 4851c03ba9..d90241dbe0 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/xtal/TestCrystalBuilder.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/xtal/TestCrystalBuilder.java @@ -22,7 +22,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.contact.StructureInterfaceList; diff --git a/biojava-structure-gui/src/main/java/demo/DemoQuatSymmetryJmol.java b/biojava-structure-gui/src/main/java/demo/DemoQuatSymmetryJmol.java index 674c846d4a..999e4305fc 100644 --- a/biojava-structure-gui/src/main/java/demo/DemoQuatSymmetryJmol.java +++ b/biojava-structure-gui/src/main/java/demo/DemoQuatSymmetryJmol.java @@ -22,7 +22,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.cluster.SubunitClustererMethod; import org.biojava.nbio.structure.cluster.SubunitClustererParameters; diff --git a/biojava-structure-gui/src/main/java/demo/DemoShowLargeAssembly.java b/biojava-structure-gui/src/main/java/demo/DemoShowLargeAssembly.java index 4aa053e70a..343e50d226 100644 --- a/biojava-structure-gui/src/main/java/demo/DemoShowLargeAssembly.java +++ b/biojava-structure-gui/src/main/java/demo/DemoShowLargeAssembly.java @@ -1,7 +1,7 @@ package demo; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; diff --git a/biojava-structure/src/main/java/demo/DemoAsa.java b/biojava-structure/src/main/java/demo/DemoAsa.java index 1df3d9feeb..72d2b096d5 100644 --- a/biojava-structure/src/main/java/demo/DemoAsa.java +++ b/biojava-structure/src/main/java/demo/DemoAsa.java @@ -24,7 +24,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.asa.AsaCalculator; diff --git a/biojava-structure/src/main/java/demo/DemoContacts.java b/biojava-structure/src/main/java/demo/DemoContacts.java index 0eed99e807..f5ee18934c 100644 --- a/biojava-structure/src/main/java/demo/DemoContacts.java +++ b/biojava-structure/src/main/java/demo/DemoContacts.java @@ -25,6 +25,7 @@ import org.biojava.nbio.structure.contact.AtomContact; import org.biojava.nbio.structure.contact.AtomContactSet; import org.biojava.nbio.structure.contact.GroupContactSet; +import org.biojava.nbio.structure.io.StructureFiletype; import java.io.IOException; diff --git a/biojava-structure/src/main/java/demo/DemoCrystalInterfaces.java b/biojava-structure/src/main/java/demo/DemoCrystalInterfaces.java index 76fd4f6823..f5b76d86bf 100644 --- a/biojava-structure/src/main/java/demo/DemoCrystalInterfaces.java +++ b/biojava-structure/src/main/java/demo/DemoCrystalInterfaces.java @@ -23,7 +23,7 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.contact.*; import org.biojava.nbio.structure.io.FileParsingParameters; diff --git a/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java b/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java index 3254ff64ae..a9eaf67e41 100644 --- a/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java +++ b/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java @@ -25,7 +25,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.secstruc.SecStrucCalc; diff --git a/biojava-structure/src/main/java/demo/DemoMMCIFReader.java b/biojava-structure/src/main/java/demo/DemoMMCIFReader.java index e6b5eab186..1954ad99a4 100644 --- a/biojava-structure/src/main/java/demo/DemoMMCIFReader.java +++ b/biojava-structure/src/main/java/demo/DemoMMCIFReader.java @@ -28,6 +28,7 @@ import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.CifFileReader; import org.biojava.nbio.structure.io.StructureProvider; +import org.biojava.nbio.structure.io.StructureFiletype; import java.util.List; diff --git a/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java b/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java index 67de1031c0..e5c9f5cda6 100644 --- a/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java +++ b/biojava-structure/src/main/java/demo/DemoMmcifToPdbConverter.java @@ -23,7 +23,7 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; import java.io.File; import java.io.IOException; @@ -43,7 +43,7 @@ public static void main(String[] args) throws Exception { public static void convert(File inFile, File outFile) throws IOException { // now get the protein structure. - Structure cifStructure = StructureConverter.fromPath(inFile.toPath()); + Structure cifStructure = CifStructureConverter.fromPath(inFile.toPath()); // and write it out as PDB format PrintWriter pr = new PrintWriter(outFile); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/Chain.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/Chain.java index c8413228ee..73827d2434 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/Chain.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/Chain.java @@ -24,6 +24,7 @@ package org.biojava.nbio.structure; import org.biojava.nbio.core.sequence.template.Sequence; +import org.biojava.nbio.structure.chem.ChemComp; import org.biojava.nbio.structure.io.FileParsingParameters; import java.io.Serializable; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java index 039c2f0cc4..ad6945ac70 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePDBRevRecord.java @@ -2,7 +2,12 @@ import org.biojava.nbio.structure.io.cif.CifBean; -public class DatabasePDBRevRecord implements CifBean { +/** + * Represents revision records for use by {@link PDBHeader}. + * @author Sebastian Bittrich + * @since 6.0.0 + */ +public class DatabasePDBRevRecord implements CifBean { private static final long serialVersionUID = 1L; private String revNum; private String type; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java index 36b8d3b1cd..d1e5f34963 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java @@ -53,28 +53,29 @@ * */ public interface Group extends Serializable { + /** Group property key for secondary structure annotation */ - String SEC_STRUC = "secstruc"; + public static final String SEC_STRUC = "secstruc"; /** * Get number of atoms. * @return number of atoms of this Group */ - int size(); + public int size(); /** * Return true or false, depending if this group has 3D coordinates or not. * * @return true if Group has 3D coordinates */ - boolean has3D(); + public boolean has3D (); /** * Flag if group has 3D data . * * @param flag true to set flag that this Group has 3D coordinates */ - void setPDBFlag(boolean flag); + public void setPDBFlag(boolean flag); /** * Get Type of group, one of {@link GroupType#AMINOACID}, {@link GroupType#HETATM} @@ -82,14 +83,14 @@ public interface Group extends Serializable { * * @return a String representing the type value */ - GroupType getType(); + public GroupType getType(); /** * Add an atom to this group. * * @param atom an Atom object */ - void addAtom(Atom atom); + public void addAtom(Atom atom); /** * Get list of atoms. @@ -97,33 +98,32 @@ public interface Group extends Serializable { * @return a List object representing the atoms * @see #setAtoms(List) */ - List getAtoms(); + public List getAtoms() ; + /** * Set the atoms of this group. - * @see Atom + * @see {@link Atom} * @param atoms a list of atoms */ - void setAtoms(List atoms); + public void setAtoms(List atoms); - /** - * Remove all atoms from this group. + /** Remove all atoms from this group. * */ - void clearAtoms(); + public void clearAtoms(); /** * Get an atom given its PDB name. * Beware that some PDB atom names are ambiguous (e.g. CA, which means C-alpha or Calcium), * ambiguities should not occur within the same group though. To solve these ambiguities * one would need to check the atom returned for the required element with {@link Atom#getElement()} - *

      - * Note this method will return only the atom in the default alternative location (be it '.' or a letter). * * @param name a trimmed String representing the atom's PDB name, e.g. "CA" * @return an Atom object or null if no such atom exists within this group */ - Atom getAtom(String name); + public Atom getAtom(String name) ; + /** * Get at atom by position. @@ -131,7 +131,7 @@ public interface Group extends Serializable { * @param position an int * @return an Atom object or null if no Atom exists for given position */ - Atom getAtom(int position); + public Atom getAtom(int position) ; /** * Tell whether a particular atom exists within this group. @@ -141,7 +141,7 @@ public interface Group extends Serializable { * @param name a trimmed String representing the atom's PDB name, e.g. "CA" * @return true if Atom with name exists within this group */ - boolean hasAtom(String name); + public boolean hasAtom(String name); /** * Get the PDB 3-letter name for this group. (e.g. ALA) @@ -149,7 +149,7 @@ public interface Group extends Serializable { * @return a String representing the PDBName value * @see #setPDBName */ - String getPDBName(); + public String getPDBName(); /** * Set the PDB 3-letter name for this group. (e.g. ALA) @@ -157,7 +157,8 @@ public interface Group extends Serializable { * @param s a String specifying the PDBName value * @see #getPDBName */ - void setPDBName(String s); + public void setPDBName(String s) ; + /** * Calculate if this group has all atoms required for an amino acid backbone. @@ -180,28 +181,33 @@ public interface Group extends Serializable { * @return true if all Atoms required for an AminoAcid are available (N, CA, C, O) * @see #getType */ - boolean hasAminoAtoms(); + public boolean hasAminoAtoms() ; + /** * Check if this group is a polymeric group, from the definition in Chemical Component Dictionary * * @return true if a polymeric group */ - boolean isPolymeric(); + public boolean isPolymeric(); + /** * Check if this group is an aminoacid group, from the definition in Chemical Component Dictionary * * @return true if an amino acid */ - boolean isAminoAcid(); + public boolean isAminoAcid(); + /** * Check if this group is a nucleotide group, from the definition in Chemical Component Dictionary * * @return true if a nucleotide */ - boolean isNucleotide(); + public boolean isNucleotide(); + + /** * Properties of this amino acid. Currently available properties are: @@ -212,7 +218,7 @@ public interface Group extends Serializable { * @param properties a Map object specifying the properties value * @see #getProperties */ - void setProperties(Map properties); + public void setProperties(Map properties) ; /** * Return properties. @@ -220,7 +226,7 @@ public interface Group extends Serializable { * * @return a HashMap object representing the properties value */ - Map getProperties(); + public Map getProperties() ; /** * Set a single property . @@ -229,7 +235,7 @@ public interface Group extends Serializable { * @param value an Object * @see #getProperty */ - void setProperty(String key, Object value); + public void setProperty(String key, Object value) ; /** * Get a single property . @@ -238,20 +244,21 @@ public interface Group extends Serializable { * @return an Object * @see #setProperty */ - Object getProperty(String key); + public Object getProperty(String key) ; /** * Get an Atom Iterator. * * @return an Iterator object */ - Iterator iterator(); + public Iterator iterator() ; + /** * Returns and identical copy of this Group object . * @return and identical copy of this Group object */ - Object clone(); + public Object clone(); /** * Sets the back-reference to its parent Chain. @@ -259,7 +266,7 @@ public interface Group extends Serializable { * @see #getChain() * @since 3.0 */ - void setChain(Chain chain); + public void setChain(Chain chain); /** * Returns the parent Chain of the Group. @@ -268,7 +275,7 @@ public interface Group extends Serializable { * @see #setChain(Chain) * @since 3.0 */ - Chain getChain(); + public Chain getChain() ; /** * Returns a dynamically created ResidueNumber for the group - this @@ -277,14 +284,15 @@ public interface Group extends Serializable { * @return ResidueNumber for the group. * @since 3.0 */ - ResidueNumber getResidueNumber(); + public ResidueNumber getResidueNumber(); + /** * Sets the ResidueNumber for this Group * * @param residueNumber the PDB residueNumber */ - void setResidueNumber(ResidueNumber residueNumber); + public void setResidueNumber(ResidueNumber residueNumber); /** * Utility method to temporarily set a chainID for a group, if a parent chain object does not exist yet. @@ -294,7 +302,7 @@ public interface Group extends Serializable { * @param residueNumber * @param iCode */ - void setResidueNumber(String chainId, Integer residueNumber, Character iCode); + public void setResidueNumber(String chainId, Integer residueNumber, Character iCode); /** * Utility method for returning the chainId of the Group or null if no @@ -304,21 +312,22 @@ public interface Group extends Serializable { * @since 3.0 * @return the ID of the chain */ - String getChainId(); + public String getChainId(); /** * Set the Chemical Component that closer describes this group. * * @param cc the chemical component */ - void setChemComp(ChemComp cc); + public void setChemComp(ChemComp cc); /** * Get the chemical component that closer describes this group. If the information does not exist yet, fetches the information from PDB web site. * * @return the Chemical Component definition for this Group. */ - ChemComp getChemComp(); + public ChemComp getChemComp(); + /** * Check if this group has alternate location groups. @@ -326,7 +335,8 @@ public interface Group extends Serializable { * @return boolean flag if there are alternate locations. * @see #getAltLocs() */ - boolean hasAltLoc(); + public boolean hasAltLoc(); + /** * Get the list of other alternate location groups. @@ -351,14 +361,14 @@ public interface Group extends Serializable { * * @return List of other groups that are on alternate locations */ - List getAltLocs(); + public List getAltLocs(); /** * Add a group that is an alternate location for this group. * * @param g the altloc group to add */ - void addAltLoc(Group g); + public void addAltLoc(Group g); /** * Determines if this group is water. @@ -366,7 +376,7 @@ public interface Group extends Serializable { * @see GroupType#WATERNAMES * @return true if it's water, false otherwise. */ - boolean isWater(); + public boolean isWater(); /** * Gets the alternate location group to this group that has the alt-loc character code passed. @@ -374,20 +384,21 @@ public interface Group extends Serializable { * @param altLoc the alternate location code of the group desired * @return the alternate location group if found, or null otherwise */ - Group getAltLocGroup(Character altLoc); + public Group getAltLocGroup(Character altLoc); + /** * Attempts to reduce the memory imprint of this group by trimming * all internal Collection objects to the required size. * */ - void trimToSize(); + public void trimToSize(); /** * Function to get the Group as an MDL molblock * @return the string of the MDL molblock */ - String toSDF(); + public String toSDF(); /** * Tells whether the group is annotated as HETATM in the file. @@ -395,7 +406,7 @@ public interface Group extends Serializable { * polymeric group is in a ligand chain or not. * @return */ - boolean isHetAtomInFile(); + public boolean isHetAtomInFile(); /** * Sets the field isHetAtomInFile which is intented only for @@ -403,5 +414,5 @@ public interface Group extends Serializable { * or in a polymeric chain. * @param isHetAtomInFile */ - void setHetAtomInFile(boolean isHetAtomInFile); + public void setHetAtomInFile(boolean isHetAtomInFile); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java index fb2967b101..c556d4444c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureIO.java @@ -21,6 +21,7 @@ package org.biojava.nbio.structure; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.io.StructureFiletype; import java.io.IOException; import java.util.List; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java index 00b624d95f..69b5833766 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/URLIdentifier.java @@ -20,10 +20,10 @@ */ package org.biojava.nbio.structure; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.PDBFileReader; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.io.mmtf.MmtfActions; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -33,7 +33,6 @@ import java.net.MalformedURLException; import java.net.URL; import java.net.URLDecoder; -import java.util.Arrays; import java.util.Collections; import java.util.LinkedHashMap; import java.util.List; @@ -154,7 +153,7 @@ public Structure loadStructure(AtomCache cache) throws StructureException, IOExc switch(format) { case CIF: case BCIF: - return StructureConverter.fromURL(url); + return CifStructureConverter.fromURL(url); case MMTF: return MmtfActions.readFromInputStream(url.openStream()); default: case PDB: diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java index 3067e5955d..552f0427ef 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java @@ -41,6 +41,7 @@ import org.biojava.nbio.structure.io.MMTFFileReader; import org.biojava.nbio.structure.io.PDBFileReader; import org.biojava.nbio.core.util.FileDownloadUtils; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; import org.biojava.nbio.structure.scop.ScopDatabase; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/UserConfiguration.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/UserConfiguration.java index ebcf3aaba6..70e85acec3 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/UserConfiguration.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/UserConfiguration.java @@ -19,12 +19,12 @@ package org.biojava.nbio.structure.align.util; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.align.ce.StartupParameters; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; import org.biojava.nbio.core.util.PrettyXMLWriter; import org.biojava.nbio.core.util.XMLWriter; +import org.biojava.nbio.structure.io.StructureFiletype; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -34,18 +34,21 @@ import java.util.Map; import java.util.concurrent.atomic.AtomicBoolean; -/** - * A container to persist config to the file system + +/** A container to persist config to the file system * * @author Andreas Prlic + * */ -public class UserConfiguration { +public class UserConfiguration +{ + private static final Logger logger = LoggerFactory.getLogger(UserConfiguration.class); public static final String PDB_FORMAT = "PDB"; - public static final String MMCIF_FORMAT = "cif"; - public static final String BINARY_CIF = "bcif"; + public static final String MMCIF_FORMAT = "mmCif"; public static final String MMTF_FORMAT = "mmtf"; + public static final String BCIF_FORMAT = "bcif"; public static final String TMP_DIR = "java.io.tmpdir"; @@ -62,7 +65,8 @@ public class UserConfiguration { private String fileFormat; - private static final AtomicBoolean warningShown = new AtomicBoolean(false); + private static AtomicBoolean warningShown = new AtomicBoolean(false); + /** * Default UserConfiguration: @@ -96,51 +100,66 @@ public UserConfiguration(){ // note that in initCacheFilePath, we set to the provided one (if readable) or to the same as pdbFilePath cacheFilePath = initCacheFilePath(); - fileFormat = BINARY_CIF; + fileFormat = BCIF_FORMAT; } private String initPdbFilePath() { + String path = null; + String propertyName = PDB_DIR; + String userProvidedDir = System.getProperty(propertyName); - if (userProvidedDir != null && !userProvidedDir.trim().isEmpty()) { + if ( userProvidedDir != null && !userProvidedDir.trim().isEmpty()) { + path = userProvidedDir; logger.debug("Read PDB dir from system property {}: {}", propertyName, path); File f = new File(path); if (!f.isDirectory()) { - logger.warn("Provided path {} (with system property {}) is not a directory. Using system's temp " + - "directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); + logger.warn( + "Provided path {} (with system property {}) is not a directory. Using system's temp directory instead {}", + path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); } else if (!f.canWrite()) { - logger.warn("Provided path {} (with system property {}) is not writable. Will not be able to write " + - "cached files.", path, propertyName); + logger.warn( + "Provided path {} (with system property {}) is not writable. Will not be able to write cached files.", + path, propertyName); // we don't require the PDB_DIR to be writable, so that it can be used with a pre-rsynced dir // thus if not writable, we only warn and go ahead using it } + + } else { Map env = System.getenv(); - if (env.containsKey(propertyName) && !env.get(propertyName).trim().isEmpty()) { + + if( env.containsKey(propertyName) && !env.get(propertyName).trim().isEmpty()) { path = env.get(propertyName); logger.debug("Read dir from environment variable {}: {}", propertyName, path); File f = new File(path); if (!f.isDirectory()) { - logger.warn("Provided path {} (with environment variable {}) is not a directory. Using system's " + - "temp directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); + logger.warn( + "Provided path {} (with environment variable {}) is not a directory. Using system's temp directory instead {}", + path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); } else if (!f.canWrite()) { - logger.warn("Provided path {} (with environment variable {}) is not writable. Will not be able " + - "to write cached files", path, propertyName); + logger.warn( + "Provided path {} (with environment variable {}) is not writable. Will not be able to write cached files", + path, propertyName); // we don't require the PDB_DIR to be writable, so that it can be used with a pre-rsynced dir // thus if not writable, we only warn and go ahead using it } + } else { path = System.getProperty(TMP_DIR); - if (! warningShown.get()) { - logger.warn("Could not read dir from system property {} or environment variable {}, " + - "using system's temp directory {}", propertyName, propertyName, path); + if ( ! warningShown.get()) { + + logger.warn("Could not read dir from system property {} or environment variable {}, " + + "using system's temp directory {}", + propertyName, propertyName, path); + warningShown.set(true); } @@ -148,79 +167,95 @@ private String initPdbFilePath() { } } - if (!path.endsWith(lineSplit)) { + if ( ! path.endsWith(lineSplit) ) path = path + lineSplit; - } return path; + } private String initCacheFilePath() { + String path = null; + String propertyName = PDB_CACHE_DIR; + String userProvidedDir = System.getProperty(propertyName); - if (userProvidedDir != null) { + if ( userProvidedDir != null ) { + path = userProvidedDir; logger.debug("Read cache dir from system property {}: {}", propertyName, path); File f = new File(path); if (!f.isDirectory()) { - logger.warn("Provided path {} (with system property {}) is not a directory. Using system's temp " + - "directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); + logger.warn( + "Provided path {} (with system property {}) is not a directory. Using system's temp directory instead {}", + path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); } else if (!f.canWrite()) { - logger.warn("Provided path {} (with system property {}) is not writable. Using system's temp " + - "directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); + logger.warn( + "Provided path {} (with system property {}) is not writable. Using system's temp directory instead {}", + path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); System.setProperty(propertyName,path); } + + } else { Map env = System.getenv(); - if (env.containsKey(propertyName)) { + if( env.containsKey(propertyName)) { path = env.get(propertyName); logger.debug("Read dir from environment variable {}: {}", propertyName, path); File f = new File(path); if (!f.isDirectory()) { - logger.warn("Provided path {} (with environment variable {}) is not a directory. Using system's " + - "temp directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); + logger.warn( + "Provided path {} (with environment variable {}) is not a directory. Using system's temp directory instead {}", + path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); } else if (!f.canWrite()) { - logger.warn("Provided path {} (with environment variable {}) is not writable. Using system's " + - "temp directory instead {}", path, propertyName, System.getProperty(TMP_DIR)); + logger.warn( + "Provided path {} (with environment variable {}) is not writable. Using system's temp directory instead {}", + path, propertyName, System.getProperty(TMP_DIR)); path = System.getProperty(TMP_DIR); } + } else { // NOTE in case of not provided, then it is set to same as pdbFilePath // as PDB_DIR is not checked for being writable, we have to do that check here in case if (new File(pdbFilePath).canWrite()){ path = pdbFilePath; - logger.info("Could not read cache dir from system property {} or environment variable {}, " + - "using PDB directory instead {}", propertyName, propertyName, path); + logger.info("Could not read cache dir from system property {} or environment variable {}, " + + "using PDB directory instead {}", + propertyName, propertyName, path); System.setProperty(propertyName,path); + } else { path = System.getProperty(TMP_DIR); logger.warn("Could not read cache dir from system property {} or environment variable {}, " + "and PDB directory {} is not writable. Using system's temp directory instead {}", propertyName, propertyName, pdbFilePath, path); System.setProperty(propertyName,path); + } } } - if (!path.endsWith(lineSplit)) { + if ( ! path.endsWith(lineSplit) ) path = path + lineSplit; - } return path; + } - public String getPdbFilePath() { + public String getPdbFilePath() + { return pdbFilePath; } - public void setPdbFilePath(String pdbFilePath) { + public void setPdbFilePath(String pdbFilePath) + { this.pdbFilePath = pdbFilePath; } @@ -248,22 +283,24 @@ public void setObsoleteBehavior(ObsoleteBehavior obsoleteBehavior) { this.obsoleteBehavior = obsoleteBehavior; } - /** - * convert Configuration to an XML file so it can be serialized + /** convert Configuration to an XML file so it can be serialized * * @param pw * @return XMLWriter * @throws IOException */ - public XMLWriter toXML(PrintWriter pw) throws IOException { - XMLWriter xw = new PrettyXMLWriter(pw); + public XMLWriter toXML(PrintWriter pw) + throws IOException + { + + XMLWriter xw = new PrettyXMLWriter( pw); + toXML(xw); - return xw; - } + return xw ; + } - /** - * convert Configuration to an XML file so it can be serialized + /** convert Configuration to an XML file so it can be serialized * add to an already existing xml file. * * @param xw the XML writer to use @@ -271,7 +308,10 @@ public XMLWriter toXML(PrintWriter pw) throws IOException { * @throws IOException * @see org.biojava.nbio.structure.align.webstart.ConfigXMLHandler */ - public XMLWriter toXML(XMLWriter xw) throws IOException { + + public XMLWriter toXML(XMLWriter xw) + throws IOException + { xw.printRaw(""); //xw.printRaw(""); xw.openTag("JFatCatConfig"); @@ -279,18 +319,18 @@ public XMLWriter toXML(XMLWriter xw) throws IOException { xw.openTag("PDBFILEPATH"); // we don;t serialize the tempdir... String tempdir = System.getProperty(TMP_DIR); - if (!pdbFilePath.equals(tempdir)) { + if (! pdbFilePath.equals(tempdir)) xw.attribute("path", pdbFilePath); - } - xw.attribute("fetchBehavior", fetchBehavior + ""); - xw.attribute("obsoleteBehavior", obsoleteBehavior + ""); + xw.attribute("fetchBehavior", fetchBehavior+""); + xw.attribute("obsoleteBehavior", obsoleteBehavior+""); xw.attribute("fileFormat", fileFormat); xw.closeTag("PDBFILEPATH"); xw.closeTag("JFatCatConfig"); return xw ; - } + + } public static UserConfiguration fromStartupParams(StartupParameters params) { UserConfiguration config = new UserConfiguration(); @@ -311,7 +351,8 @@ public void setFileFormat (String fileFormat){ this.fileFormat = fileFormat; } - public String getFileFormat() { + public String getFileFormat() + { return fileFormat; } @@ -319,12 +360,11 @@ public StructureFiletype getStructureFiletype() { switch (fileFormat) { case MMCIF_FORMAT: return StructureFiletype.CIF; - case BINARY_CIF: - return StructureFiletype.BCIF; - case MMTF_FORMAT: - return StructureFiletype.MMTF; case PDB_FORMAT: return StructureFiletype.PDB; + case MMTF_FORMAT: + return StructureFiletype.MMTF; + case BCIF_FORMAT: default: return StructureFiletype.BCIF; } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java index f550d82a96..76043374fc 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java @@ -8,8 +8,10 @@ /** * Properties of a chemical component. + * @author Sebastian Bittrich + * @since 6.0.0 */ -public class ChemComp implements CifBean, Comparable { +public class ChemComp implements CifBean, Comparable { private static final long serialVersionUID = -4736341142030215915L; private String id; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java index d87a51e720..f99b3d6f74 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompAtom.java @@ -2,7 +2,12 @@ import org.biojava.nbio.structure.io.cif.CifBean; -public class ChemCompAtom implements CifBean { +/** + * Properties of an atom of a chemical component. + * @author Sebastian Bittrich + * @since 6.0.0 + */ +public class ChemCompAtom implements CifBean { private static final long serialVersionUID = 4070599340294758941L; private String compId; private String atomId; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompBond.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompBond.java index 6ac2ea25fd..8bc3b1ebdb 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompBond.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompBond.java @@ -4,7 +4,12 @@ import org.slf4j.Logger; import org.slf4j.LoggerFactory; -public class ChemCompBond implements CifBean { +/** + * Properties of a bond in a chemical component. + * @author Sebastian Bittrich + * @since 6.0.0 + */ +public class ChemCompBond implements CifBean { private static final long serialVersionUID = 5905371029161975421L; private static final Logger logger = LoggerFactory.getLogger(ChemCompBond.class); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompDescriptor.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompDescriptor.java index 7628caef53..eb0cb13b5f 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompDescriptor.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemCompDescriptor.java @@ -4,7 +4,12 @@ import java.util.Objects; -public class ChemCompDescriptor implements CifBean { +/** + * Properties of the chemical component descriptor. + * @author Sebastian Bittrich + * @since 6.0.0 + */ +public class ChemCompDescriptor implements CifBean { private static final long serialVersionUID = 1078685833800736278L; private String compId; private String type; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java index a122158aee..70e4b5fcf5 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/BcifFileReader.java @@ -2,14 +2,14 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; import java.io.IOException; import java.io.InputStream; /** * Parse binary Cif files and provide capabilities to store them locally. - * @author Sebastian Bittrich + * @author Sebastian Bittrich * @since 5.3.0 */ public class BcifFileReader extends LocalPDBDirectory { @@ -38,7 +38,7 @@ public BcifFileReader(String path) { @Override public Structure getStructure(InputStream inStream) throws IOException { - return StructureConverter.fromInputStream(inStream, getFileParsingParameters()); + return CifStructureConverter.fromInputStream(inStream, getFileParsingParameters()); } @Override diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java index edfe601b8d..6afaf14717 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/CifFileReader.java @@ -2,14 +2,14 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.align.util.UserConfiguration; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; import java.io.IOException; import java.io.InputStream; /** * Parse text Cif files and provide capabilities to store them locally. - * @author Sebastian Bittrich + * @author Sebastian Bittrich * @since 5.3.0 */ public class CifFileReader extends LocalPDBDirectory { @@ -40,7 +40,7 @@ public CifFileReader(String path) { @Override public Structure getStructure(InputStream inStream) throws IOException{ - return StructureConverter.fromInputStream(inStream, getFileParsingParameters()); + return CifStructureConverter.fromInputStream(inStream, getFileParsingParameters()); } @Override diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java index 8264fb2b3f..35654bcb17 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/FileConvert.java @@ -40,7 +40,7 @@ import org.biojava.nbio.structure.PDBHeader; import org.biojava.nbio.structure.Site; import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -592,11 +592,20 @@ else if (name.length()==1) } + /** + * Convert this structure to its CIF representation. + * @return a String representing this structure as CIF + */ public String toMMCIF() { - return StructureConverter.toText(this.structure); + return CifStructureConverter.toText(this.structure); } + /** + * Convert a chain to its CIF representation. + * @param chain data + * @return a String representing this chain as CIF + */ public static String toMMCIF(Chain chain) { - return StructureConverter.toText(chain); + return CifStructureConverter.toText(chain); } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureFiletype.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/StructureFiletype.java similarity index 75% rename from biojava-structure/src/main/java/org/biojava/nbio/structure/StructureFiletype.java rename to biojava-structure/src/main/java/org/biojava/nbio/structure/io/StructureFiletype.java index 6d56257f24..04a74a6220 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureFiletype.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/StructureFiletype.java @@ -1,15 +1,12 @@ -package org.biojava.nbio.structure; - -import org.biojava.nbio.structure.io.BcifFileReader; -import org.biojava.nbio.structure.io.CifFileReader; -import org.biojava.nbio.structure.io.MMTFFileReader; -import org.biojava.nbio.structure.io.PDBFileReader; +package org.biojava.nbio.structure.io; import java.util.Collections; import java.util.List; /** * An enum of supported file formats. + * @author Sebastian Bittrich + * @since 6.0.0 */ public enum StructureFiletype { PDB(new PDBFileReader().getExtensions()), diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java index 2cb5e11acf..4b9c3045b6 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java @@ -28,7 +28,7 @@ /** * Convert a BioJava object to a CifFile. - * @author Sebastian Bittrich + * @author Sebastian Bittrich * @since 5.3.0 */ public abstract class AbstractCifFileSupplier implements CifFileSupplier { @@ -127,6 +127,10 @@ protected void handleChain(Chain chain, int model, List wrappedAtom } } + /** + * Wrapped atoms represent individual atoms enriched with model- and chain-level information. Also, gives control + * over the atomId field. Useful to convert structures (and subsets thereof) to their mmCIF representation. + */ public static class WrappedAtom { private final int model; private final String chainName; @@ -134,6 +138,14 @@ public static class WrappedAtom { private final Atom atom; private final int atomId; + /** + * Construct a new atoms. + * @param model the model number + * @param chainName the label_asym_id + * @param chainId the auth_asym_id + * @param atom the atom instance itself + * @param atomId the label_atom_id + */ public WrappedAtom(int model, String chainName, String chainId, Atom atom, int atomId) { this.model = model; this.chainName = chainName; @@ -142,27 +154,31 @@ public WrappedAtom(int model, String chainName, String chainId, Atom atom, int a this.atomId = atomId; } - int getModel() { + public int getModel() { return model; } - String getChainName() { + public String getChainName() { return chainName; } - String getChainId() { + public String getChainId() { return chainId; } - Atom getAtom() { + public Atom getAtom() { return atom; } - int getAtomId() { + public int getAtomId() { return atomId; } } + /** + * Collects {@link WrappedAtom} instances into one {@link org.rcsb.cif.schema.mm.AtomSite}. + * @return an atom site record containing all atoms + */ public static Collector toAtomSite() { return Collector.of(AtomSiteCollector::new, AtomSiteCollector::accept, diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java index 5bbb3f7a6a..26bd53884d 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumer.java @@ -1,16 +1,32 @@ package org.biojava.nbio.structure.io.cif; -import org.biojava.nbio.structure.chem.ChemCompDescriptor; import org.biojava.nbio.structure.chem.ChemicalComponentDictionary; import org.rcsb.cif.schema.mm.ChemComp; import org.rcsb.cif.schema.mm.ChemCompAtom; import org.rcsb.cif.schema.mm.ChemCompBond; +/** + * Create the {@link ChemicalComponentDictionary} from CIF data. + * @author Sebastian Bittrich + * @since 6.0.0 + */ public interface ChemCompConsumer extends CifFileConsumer { + /** + * Consume a particular Cif category. + * @param c data + */ void consumeChemComp(ChemComp c); + /** + * Consume a particular Cif category. + * @param atom data + */ void consumeChemCompAtom(ChemCompAtom atom); + /** + * Consume a particular Cif category. + * @param bond data + */ void consumeChemCompBond(ChemCompBond bond); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java index ffe61f2d0b..584d8c6dfa 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConsumerImpl.java @@ -7,6 +7,10 @@ import org.slf4j.Logger; import org.slf4j.LoggerFactory; +/** + * Consumes a CCD file to create the {@link ChemicalComponentDictionary}. + * @author Sebastian Bittrich + */ public class ChemCompConsumerImpl implements ChemCompConsumer { private static final Logger logger = LoggerFactory.getLogger(ChemCompConsumerImpl.class); private final ChemicalComponentDictionary dictionary; diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java index aec300e717..497af0f0da 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChemCompConverter.java @@ -16,7 +16,7 @@ /** * Convert CifFiles to chem comps. - * @author Sebastian Bittrich + * @author Sebastian Bittrich * @since 6.0.0 */ public class ChemCompConverter { @@ -44,7 +44,7 @@ public static ChemicalComponentDictionary fromURL(URL url) throws IOException { * @param inputStream the InputStream of information - can be gzipped or binary or text data * @return the target * @throws IOException thrown when reading fails - * @see StructureConverter#fromInputStream(InputStream, FileParsingParameters) + * @see CifStructureConverter#fromInputStream(InputStream, FileParsingParameters) */ public static ChemicalComponentDictionary fromInputStream(InputStream inputStream) throws IOException { return fromCifFile(CifIO.readFromInputStream(inputStream)); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifBean.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifBean.java index 1196aafada..9adf3b3e43 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifBean.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifBean.java @@ -1,12 +1,11 @@ package org.biojava.nbio.structure.io.cif; -import org.rcsb.cif.model.Category; - import java.io.Serializable; /** - * Flag for BioJava beans that actually resemble categories defined by the mmCIF schema. - * @param the modeled ciftools-java category + * Flag for BioJava beans that resemble categories defined by the mmCIF schema. + * @author Sebastian Bittrich + * @since 6.0.0 */ -public interface CifBean extends Serializable { +public interface CifBean extends Serializable { } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChainSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifChainSupplierImpl.java similarity index 77% rename from biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChainSupplierImpl.java rename to biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifChainSupplierImpl.java index 08516d47b3..98e9da2f4e 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/ChainSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifChainSupplierImpl.java @@ -6,7 +6,11 @@ import java.util.ArrayList; import java.util.List; -public class ChainSupplierImpl extends AbstractCifFileSupplier { +/** + * Convert a chain to a {@link CifFile}. + * @author Sebastian Bittrich + */ +public class CifChainSupplierImpl extends AbstractCifFileSupplier { @Override public CifFile get(Chain container) { return getInternal(container.getStructure(), collectWrappedAtoms(container)); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java index d95f7b9422..565868e516 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumer.java @@ -2,9 +2,8 @@ /** * Defines a rather generic interface which allows to populate some data structure with data parsed from a CIF file. - * * @param the type of container an implementing class will return - * @author Sebastian Bittrich + * @author Sebastian Bittrich * @since 5.3.0 */ public interface CifFileConsumer { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java index e46a0bf058..0ea1e06bd7 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileSupplier.java @@ -5,7 +5,7 @@ /** * Create a CifFile instance for a given container of structure data. * @param the container type used as source - * @author Sebastian Bittrich + * @author Sebastian Bittrich * @since 5.3.0 */ public interface CifFileSupplier { diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureConsumer.java similarity index 98% rename from biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumer.java rename to biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureConsumer.java index 9594a2c71d..c6c5318217 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureConsumer.java @@ -47,7 +47,12 @@ import org.rcsb.cif.schema.mm.StructSiteGen; import org.rcsb.cif.schema.mm.Symmetry; -public interface StructureConsumer extends CifFileConsumer { +/** + * Defines the categories to consume during CIF parsing. + * @author Sebastian Bittrich + * @since 6.0.0 + */ +public interface CifStructureConsumer extends CifFileConsumer { /** * Consume a particular Cif category. * @param atomSite data diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureConsumerImpl.java similarity index 99% rename from biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java rename to biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureConsumerImpl.java index 35f46dc066..c64f1ac412 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureConsumerImpl.java @@ -100,11 +100,11 @@ /** * An implementation of a CifFileConsumer for BioJava. Will process the information provided by a CifFile instance and * use it to build up a {@link Structure} object. - * @author Sebastian Bittrich + * @author Sebastian Bittrich * @since 6.0.0 */ -public class StructureConsumerImpl implements StructureConsumer { - private static final Logger logger = LoggerFactory.getLogger(StructureConsumerImpl.class); +public class CifStructureConsumerImpl implements CifStructureConsumer { + private static final Logger logger = LoggerFactory.getLogger(CifStructureConsumerImpl.class); private static final DateTimeFormatter DATE_FORMAT = new DateTimeFormatterBuilder() .parseCaseInsensitive() .appendPattern("yyyy-MM-dd") @@ -141,7 +141,7 @@ public class StructureConsumerImpl implements StructureConsumer { private final FileParsingParameters params; - public StructureConsumerImpl(FileParsingParameters params) { + public CifStructureConsumerImpl(FileParsingParameters params) { this.params = params; } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureConverter.java similarity index 95% rename from biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConverter.java rename to biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureConverter.java index 45a5b97c76..98ef24561b 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureConverter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureConverter.java @@ -17,10 +17,10 @@ /** * Convert BioJava structures to CifFiles and vice versa. - * @author Sebastian Bittrich + * @author Sebastian Bittrich * @since 6.0.0 */ -public class StructureConverter { +public class CifStructureConverter { /** * Read data from a file and convert to Structure without any FileParsingParameters. * @param path the source of information - can be gzipped or binary or text data @@ -66,7 +66,7 @@ private static Structure fromURL(URL url, FileParsingParameters parameters) thro * @param inputStream the InputStream of information - can be gzipped or binary or text data * @return the target * @throws IOException thrown when reading fails - * @see StructureConverter#fromInputStream(InputStream, FileParsingParameters) + * @see CifStructureConverter#fromInputStream(InputStream, FileParsingParameters) */ public static Structure fromInputStream(InputStream inputStream) throws IOException { return fromInputStream(inputStream, new FileParsingParameters()); @@ -87,7 +87,7 @@ public static Structure fromInputStream(InputStream inputStream, FileParsingPara * Convert CifFile to Structure without any FileParsingParameters. * @param cifFile the source * @return the target - * @see StructureConverter#fromCifFile(CifFile, FileParsingParameters) + * @see CifStructureConverter#fromCifFile(CifFile, FileParsingParameters) */ public static Structure fromCifFile(CifFile cifFile) { return fromCifFile(cifFile, new FileParsingParameters()); @@ -101,7 +101,7 @@ public static Structure fromCifFile(CifFile cifFile) { */ public static Structure fromCifFile(CifFile cifFile, FileParsingParameters parameters) { // initialize consumer - StructureConsumer consumer = new StructureConsumerImpl(parameters); + CifStructureConsumer consumer = new CifStructureConsumerImpl(parameters); // init structure consumer.prepare(); @@ -226,7 +226,7 @@ public static String toText(Chain chain) { * @return the target */ public static CifFile toCifFile(Structure structure) { - return new StructureSupplierImpl().get(structure); + return new CifStructureSupplierImpl().get(structure); } /** @@ -235,6 +235,6 @@ public static CifFile toCifFile(Structure structure) { * @return the target */ public static CifFile toCifFile(Chain chain) { - return new ChainSupplierImpl().get(chain); + return new CifChainSupplierImpl().get(chain); } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureSupplierImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureSupplierImpl.java similarity index 83% rename from biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureSupplierImpl.java rename to biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureSupplierImpl.java index ef377ad52a..4b0eb79eb3 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/StructureSupplierImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifStructureSupplierImpl.java @@ -7,7 +7,11 @@ import java.util.ArrayList; import java.util.List; -public class StructureSupplierImpl extends AbstractCifFileSupplier { +/** + * Convert a structure to a CifFile. + * @author Sebastian Bittrich + */ +public class CifStructureSupplierImpl extends AbstractCifFileSupplier { @Override public CifFile get(Structure container) { return getInternal(container, collectWrappedAtoms(container)); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumer.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumer.java index d76d91d1e7..df86c2c216 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumer.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConsumer.java @@ -6,6 +6,11 @@ import java.util.List; import java.util.Map; -public interface MetalBondConsumer extends CifFileConsumer>> { +/** + * Consume metal bond data. + * @author Sebastian Bittrich + * @since 6.0.0 + */ +public interface MetalBondConsumer extends CifFileConsumer>> { void consume(Category category); } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConverter.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConverter.java index 0f28fe6493..c1ac0f3d2c 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConverter.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/MetalBondConverter.java @@ -17,7 +17,7 @@ public class MetalBondConverter { private static final Logger logger = LoggerFactory.getLogger(MetalBondConverter.class); private static final String BONDS_FILE = "org/biojava/nbio/structure/bond_distance_limits.cif.gz"; - private static Map> definitions; + private static final Map> definitions; static { definitions = init(); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index a6c52c95bd..c41eb33033 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -45,7 +45,7 @@ import org.biojava.nbio.structure.PDBCrystallographicInfo; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemComp; @@ -55,7 +55,6 @@ import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; -import org.biojava.nbio.structure.secstruc.DSSPParser; import org.biojava.nbio.structure.secstruc.SecStrucCalc; import org.biojava.nbio.structure.secstruc.SecStrucState; import org.biojava.nbio.structure.secstruc.SecStrucType; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/Test2JA5.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/Test2JA5.java index eb7008d0cb..0d2a6d5742 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/Test2JA5.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/Test2JA5.java @@ -26,6 +26,7 @@ import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Test; /** diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/Test4hhb.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/Test4hhb.java index bcf289cebc..52e088261e 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/Test4hhb.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/Test4hhb.java @@ -26,7 +26,7 @@ import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileParser; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; import org.junit.Test; import java.io.IOException; @@ -75,7 +75,7 @@ public void test4hhbPDBFile() throws IOException params = new FileParsingParameters(); params.setAlignSeqRes(true); - structure2 = StructureConverter.fromInputStream(inStream, params); + structure2 = CifStructureConverter.fromInputStream(inStream, params); assertNotNull(structure2); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java index ef9f830ae1..9c5bdcf0be 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAltLocs.java @@ -27,13 +27,12 @@ import org.biojava.nbio.structure.chem.PolymerType; import org.biojava.nbio.structure.chem.ResidueType; import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Test; -import java.io.BufferedReader; import java.io.ByteArrayInputStream; import java.io.IOException; -import java.io.StringReader; import java.util.ArrayList; import java.util.HashSet; import java.util.List; @@ -639,7 +638,7 @@ public void testMmcifConversionPartialAltlocs() throws IOException { "ATOM 117 N NH2 A ARG A 1 13 ? 7.812 17.972 17.172 0.50 24.80 ? 102 ARG A NH2 1\n" + "ATOM 118 N NH2 B ARG A 1 13 ? 8.013 18.115 17.888 0.50 26.52 ? 102 ARG A NH2 1\n"; - Structure s = StructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes())); + Structure s = CifStructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes())); Chain c = s.getPolyChains().get(0); assertEquals(1, c.getAtomGroups().size()); Group g = c.getAtomGroup(0); @@ -718,7 +717,7 @@ public void testMmcifConversionAllAltlocs() throws IOException { "ATOM 216 C CD A PRO A 1 23 ? 14.980 32.886 23.580 0.50 6.98 ? 112 PRO A CD 1 \n" + "ATOM 217 C CD B PRO A 1 23 ? 14.558 33.235 23.153 0.50 14.91 ? 112 PRO A CD 1 \n"; - Structure s = StructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes())); + Structure s = CifStructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes())); Chain c = s.getPolyChains().get(0); assertEquals(1, c.getAtomGroups().size()); @@ -803,7 +802,7 @@ public void testIntraResidueBondsBetweenAltlocs() throws IOException { FileParsingParameters params = new FileParsingParameters(); params.setCreateAtomBonds(true); - Structure s = StructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes()), params); + Structure s = CifStructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes()), params); Chain c = s.getPolyChains().get(0); assertEquals(1, c.getAtomGroups().size()); @@ -949,7 +948,7 @@ public void testInterResidueBondsBetweenAltlocs() throws IOException { FileParsingParameters params = new FileParsingParameters(); params.setCreateAtomBonds(true); - Structure s = StructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes()), params); + Structure s = CifStructureConverter.fromInputStream(new ByteArrayInputStream(mmcifData.getBytes()), params); Chain c = s.getPolyChains().get(0); assertEquals(2, c.getAtomGroups().size()); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java index 5de3eca23a..bb9ec5ba2a 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java @@ -30,6 +30,7 @@ import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; import org.biojava.nbio.structure.io.LocalPDBDirectory.ObsoleteBehavior; import org.biojava.nbio.structure.io.PDBFileReader; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Before; import org.junit.Test; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java index cd64006861..6cc9b2d05e 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java @@ -28,6 +28,7 @@ import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.BeforeClass; import org.junit.Test; import org.slf4j.Logger; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestCloning.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestCloning.java index 4ce757bc91..516e96fce5 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestCloning.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestCloning.java @@ -30,6 +30,7 @@ import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Test; import static org.junit.Assert.*; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestEntityResIndexMapping.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestEntityResIndexMapping.java index 401a42f2cb..61b3812a46 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestEntityResIndexMapping.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestEntityResIndexMapping.java @@ -31,6 +31,7 @@ import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.PDBFileParser; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Ignore; import org.junit.Test; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestExperimentalTechniques.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestExperimentalTechniques.java index 6ef6224f8d..1edea84097 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestExperimentalTechniques.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestExperimentalTechniques.java @@ -21,6 +21,7 @@ package org.biojava.nbio.structure; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Test; import java.io.IOException; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestLoadStructureFromURL.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestLoadStructureFromURL.java index fb182535f1..5ba56deb19 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestLoadStructureFromURL.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestLoadStructureFromURL.java @@ -23,6 +23,7 @@ import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.align.util.UserConfiguration; import org.biojava.nbio.structure.io.PDBFileReader; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Test; import java.io.File; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestParsingCalcium.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestParsingCalcium.java index c3212fac8c..096dff1e1a 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestParsingCalcium.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestParsingCalcium.java @@ -25,6 +25,7 @@ package org.biojava.nbio.structure; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Test; import java.io.IOException; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestStructureCrossReferences.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestStructureCrossReferences.java index ebcea45acf..816d817231 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestStructureCrossReferences.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestStructureCrossReferences.java @@ -33,6 +33,7 @@ import org.biojava.nbio.structure.contact.StructureInterface; import org.biojava.nbio.structure.contact.StructureInterfaceList; import org.biojava.nbio.structure.io.FileParsingParameters; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.xtal.CrystalBuilder; import org.junit.Test; import org.slf4j.Logger; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java index 1b30f95ad6..25a711e0b1 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java @@ -47,7 +47,7 @@ import org.biojava.nbio.structure.ResidueRangeAndLength; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.StructureIdentifier; import org.biojava.nbio.structure.StructureTools; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestDifficultMmCIFFiles.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestDifficultMmCIFFiles.java index 690f877f08..0edf607c86 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestDifficultMmCIFFiles.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestDifficultMmCIFFiles.java @@ -27,11 +27,9 @@ import static org.junit.Assume.assumeNotNull; import static org.junit.Assume.assumeTrue; -import java.io.BufferedReader; import java.io.File; import java.io.IOException; import java.io.InputStream; -import java.io.InputStreamReader; import java.net.URISyntaxException; import java.net.URL; import java.util.List; @@ -42,10 +40,9 @@ import org.biojava.nbio.structure.ResidueNumber; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.junit.Test; @@ -222,7 +219,7 @@ public void testQuotingCornerCase () throws IOException { FileParsingParameters fileParsingParams = new FileParsingParameters(); fileParsingParams.setAlignSeqRes(true); - Structure s = StructureConverter.fromInputStream(inStream, fileParsingParams); + Structure s = CifStructureConverter.fromInputStream(inStream, fileParsingParams); assertNotNull(s); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java index 2c73fe0e0d..b50b4524fc 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java @@ -24,7 +24,6 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.align.util.AtomCache; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHeaderOnly.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHeaderOnly.java index 7d246fc25e..5ac9537412 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHeaderOnly.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHeaderOnly.java @@ -31,12 +31,11 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemComp; import org.biojava.nbio.structure.io.LocalPDBDirectory.FetchBehavior; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; import org.junit.Assert; import org.junit.Test; import org.slf4j.Logger; @@ -170,7 +169,7 @@ public void testSpeed2() throws StructureException, IOException { logger.info("Testing mmCIF parsing speed"); start = System.nanoTime(); - Structure s2 = StructureConverter.fromInputStream(cifStream, params); + Structure s2 = CifStructureConverter.fromInputStream(cifStream, params); stop = System.nanoTime(); diff = (stop - start) / 1000000000.0; logger.info(String.format("[%s] Elapsed time: %.3f s", s2.getIdentifier(), diff)); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java index 6187f2127b..12b3d1a3b7 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java @@ -22,9 +22,7 @@ import static org.junit.Assert.*; -import java.io.BufferedReader; import java.io.File; -import java.io.FileReader; import java.io.FileWriter; import java.io.IOException; import java.util.Arrays; @@ -40,12 +38,11 @@ import org.biojava.nbio.structure.ResidueNumber; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.StructureImpl; import org.biojava.nbio.structure.StructureTools; import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; import org.junit.Test; public class TestMMCIFWriting { @@ -96,7 +93,7 @@ private static void testRoundTrip(String pdbId) throws IOException, StructureExc FileParsingParameters fileParsingParams = new FileParsingParameters(); fileParsingParams.setAlignSeqRes(true); - Structure readStruct = StructureConverter.fromPath(outputFile.toPath(), params); + Structure readStruct = CifStructureConverter.fromPath(outputFile.toPath(), params); assertNotNull(readStruct); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMcifOrganismParsing.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMcifOrganismParsing.java index 31c309f68e..8d018f6c0a 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMcifOrganismParsing.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMcifOrganismParsing.java @@ -28,7 +28,6 @@ import org.biojava.nbio.structure.EntityType; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.BeforeClass; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java index a604fffcaa..a04deda47d 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestNonDepositedFiles.java @@ -22,11 +22,9 @@ import static org.junit.Assert.*; -import java.io.BufferedReader; import java.io.ByteArrayInputStream; import java.io.IOException; import java.io.InputStream; -import java.io.InputStreamReader; import java.net.URL; import java.util.List; import java.util.zip.GZIPInputStream; @@ -36,10 +34,9 @@ import org.biojava.nbio.structure.EntityType; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; import org.biojava.nbio.structure.xtal.CrystalCell; import org.junit.Test; @@ -209,7 +206,7 @@ public void testPhenixCifFile() throws IOException { FileParsingParameters fileParsingParams = new FileParsingParameters(); fileParsingParams.setAlignSeqRes(true); - Structure s = StructureConverter.fromInputStream(inStream, fileParsingParams); + Structure s = CifStructureConverter.fromInputStream(inStream, fileParsingParams); assertNotNull(s); @@ -333,7 +330,7 @@ public void testNewLigandChain() throws IOException { int expectedNumLigands = 1; assertEquals(expectedNumLigands, c1.getAtomGroups().size()); - Structure s2 = StructureConverter.fromInputStream(cifStream, params); + Structure s2 = CifStructureConverter.fromInputStream(cifStream, params); // The chain B should be present with 1 ligand HEM Chain c2 = s2.getNonPolyChainsByPDB("B").get(0); @@ -373,7 +370,7 @@ public void testWaterOnlyChainCif() throws IOException { // following file is cut-down versions of 4a10 InputStream cifStream = new GZIPInputStream(this.getClass().getResourceAsStream("/org/biojava/nbio/structure/io/4a10_short.cif.gz")); - Structure s2 = StructureConverter.fromInputStream(cifStream); + Structure s2 = CifStructureConverter.fromInputStream(cifStream); assertEquals(2, s2.getChains().size()); @@ -431,7 +428,7 @@ public void testStructureWithBranchedEntities() throws IOException { URL url = new URL("https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/examples/models/1B5F-carb.cif"); InputStream inStream = url.openStream(); - Structure structure = StructureConverter.fromInputStream(inStream); + Structure structure = CifStructureConverter.fromInputStream(inStream); assertEquals(7, structure.getEntityInfos().size()); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFFeatures.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFFeatures.java index f4d5a6d9d2..3042cc6269 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFFeatures.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFFeatures.java @@ -31,7 +31,6 @@ import org.biojava.nbio.structure.Site; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java index 76d7d74a3d..43017bf5d9 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseMmCIFLigands.java @@ -29,7 +29,6 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemCompGroupFactory; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseOnAsymId.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseOnAsymId.java index fda734d668..45ca5f2211 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseOnAsymId.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestParseOnAsymId.java @@ -27,7 +27,6 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestTitleParsing.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestTitleParsing.java index 40b1368027..06e9f48484 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestTitleParsing.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestTitleParsing.java @@ -22,7 +22,6 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestWriteLargeCoordinatePDB.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestWriteLargeCoordinatePDB.java index 0588d54d01..eeb488a5d4 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestWriteLargeCoordinatePDB.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestWriteLargeCoordinatePDB.java @@ -28,7 +28,6 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java index 444a7b800e..5c6b132cbb 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestEntityNameAndType.java @@ -23,13 +23,12 @@ import static org.junit.Assert.assertArrayEquals; import java.io.IOException; -import java.util.Arrays; import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.EntityInfo; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemCompGroupFactory; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseInternalChainId.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseInternalChainId.java index 8c4084745d..01fcc953c3 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseInternalChainId.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseInternalChainId.java @@ -26,7 +26,7 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; import static org.junit.Assert.*; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseMmcifHeader.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseMmcifHeader.java index c0d2423d35..8c789ea2d6 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseMmcifHeader.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmcif/TestParseMmcifHeader.java @@ -31,7 +31,7 @@ import org.biojava.nbio.structure.PDBHeader; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.junit.Test; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java index e400465ecb..fd94dff8f5 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestBondFinding.java @@ -20,7 +20,7 @@ */ package org.biojava.nbio.structure.io.mmtf; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.junit.Test; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java index 04e4cc93df..e362c2a35f 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfRoundTrip.java @@ -20,10 +20,8 @@ */ package org.biojava.nbio.structure.io.mmtf; -import java.io.BufferedReader; import java.io.IOException; import java.io.InputStream; -import java.io.InputStreamReader; import java.net.URL; import java.util.ArrayList; import java.util.Collections; @@ -37,13 +35,13 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemCompGroupFactory; import org.biojava.nbio.structure.chem.DownloadChemCompProvider; import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.io.cif.StructureConverter; +import org.biojava.nbio.structure.io.cif.CifStructureConverter; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; import org.junit.Test; @@ -360,7 +358,7 @@ public void testStructWithBranchedEntitiesRoundTrip() throws IOException { URL url = new URL("https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/examples/models/1B5F-carb.cif"); InputStream inStream = url.openStream(); - Structure structure = StructureConverter.fromInputStream(inStream); + Structure structure = CifStructureConverter.fromInputStream(inStream); AdapterToStructureData writerToEncoder = new AdapterToStructureData(); new MmtfStructureWriter(structure, writerToEncoder); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java index acf23d4f88..095deecb64 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/mmtf/TestMmtfStructureReader.java @@ -9,7 +9,7 @@ import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.chem.ChemCompGroupFactory; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestCrystalInfo.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestCrystalInfo.java index 775588a2ae..4e48bab634 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestCrystalInfo.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestCrystalInfo.java @@ -22,6 +22,7 @@ import org.biojava.nbio.structure.*; import org.biojava.nbio.structure.align.util.AtomCache; +import org.biojava.nbio.structure.io.StructureFiletype; import org.junit.Test; import java.io.IOException; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestInterfaceClustering.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestInterfaceClustering.java index bb5fe0b74c..d69ce237d3 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestInterfaceClustering.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/xtal/TestInterfaceClustering.java @@ -32,7 +32,7 @@ import org.biojava.nbio.structure.Structure; import org.biojava.nbio.structure.StructureException; -import org.biojava.nbio.structure.StructureFiletype; +import org.biojava.nbio.structure.io.StructureFiletype; import org.biojava.nbio.structure.StructureIO; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.asa.GroupAsa; From 9e501a9e3bfee814f00bd5d23746ea2a01debcb5 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Wed, 27 Jan 2021 12:27:26 -0800 Subject: [PATCH 255/821] Further optimization: sort by distance. Achieves ~1/3 of runtime --- .../nbio/structure/asa/AsaCalculator.java | 83 +++++++++++-------- 1 file changed, 47 insertions(+), 36 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java index 19ece0ab72..59ba0dc138 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java @@ -30,8 +30,7 @@ import java.util.*; import java.util.concurrent.ExecutorService; import java.util.concurrent.Executors; - - +import java.util.stream.Collectors; /** @@ -86,8 +85,8 @@ public class AsaCalculator { private class AsaCalcWorker implements Runnable { - private int i; - private double[] asas; + private final int i; + private final double[] asas; public AsaCalcWorker(int i, double[] asas) { this.i = i; @@ -100,12 +99,21 @@ public void run() { } } + private static class IndexAndDistance { + private final int index; + private final double dist; + public IndexAndDistance(int index, double dist) { + this.index = index; + this.dist = dist; + } + } + - private Point3d[] atomCoords; - private Atom[] atoms; - private double[] radii; - private double probe; - private int nThreads; + private final Point3d[] atomCoords; + private final Atom[] atoms; + private final double[] radii; + private final double probe; + private final int nThreads; private Point3d[] spherePoints; private double cons; private int[][] neighborIndices; @@ -123,7 +131,6 @@ public void run() { * @param nThreads the number of parallel threads to use for the calculation * @param hetAtoms if true HET residues are considered, if false they aren't, equivalent to * NACCESS' -h option - * @see StructureTools#getAllNonHAtomArray */ public AsaCalculator(Structure structure, double probe, int nSpherePoints, int nThreads, boolean hetAtoms) { this.atoms = StructureTools.getAllNonHAtomArray(structure, hetAtoms); @@ -312,10 +319,8 @@ public double[] calculateAsas() { //12 threads, time: 0.9s -- x11.4 - ExecutorService threadPool = Executors.newFixedThreadPool(nThreads); - for (int i=0;i contactList = calcContacts(); - Map> indices = new HashMap<>(atomCoords.length); + Map> indices = new HashMap<>(atomCoords.length); for (Contact contact : contactList) { // note contacts are stored 1-way only, with j>i int i = contact.getI(); int j = contact.getJ(); - List iIndices; - List jIndices; + List iIndices; + List jIndices; if (!indices.containsKey(i)) { iIndices = new ArrayList<>(initialCapacity); indices.put(i, iIndices); @@ -428,17 +433,21 @@ int[][] findNeighborIndicesSpatialHashing() { double radius = radii[i] + probe + probe; double dist = contact.getDistance(); if (dist < radius + radii[j]) { - iIndices.add(j); - jIndices.add(i); + iIndices.add(new IndexAndDistance(j, dist)); + jIndices.add(new IndexAndDistance(i, dist)); } } // convert map to array for fast access int[][] nbsIndices = new int[atomCoords.length][]; - for (Map.Entry> entry : indices.entrySet()) { - List list = entry.getValue(); + for (Map.Entry> entry : indices.entrySet()) { + List list = entry.getValue(); + // Sorting by closest to farthest away neighbors achieves faster runtimes when checking for occluded sphere sample points in calcSingleAsa. + // This follows the ideas exposed in Eisenhaber et al, J Comp Chemistry 1994 (https://onlinelibrary.wiley.com/doi/epdf/10.1002/jcc.540160303) + list = list.stream().sorted(Comparator.comparingDouble(o -> o.dist)).collect(Collectors.toList()); int[] indicesArray = new int[list.size()]; - for (int i=0;i Date: Wed, 27 Jan 2021 14:51:55 -0800 Subject: [PATCH 256/821] Small optimisation: avoid recalculating radii --- .../nbio/structure/asa/AsaCalculator.java | 21 +++++++++++++------ 1 file changed, 15 insertions(+), 6 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java index 59ba0dc138..9a5f6edd75 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java @@ -491,22 +491,31 @@ private double calcSingleAsa(int i) { int[] numDistsCalced = null; if (logger.isDebugEnabled()) numDistsCalced = new int[n_neighbor]; + // now we precalculate the squared j radii to compare to in inner loop (which does not depend on each sphere point, but only on i, j + double[] sqRadii = new double[n_neighbor]; + for (int nbArrayInd =0; nbArrayInd Date: Wed, 27 Jan 2021 17:11:11 -0800 Subject: [PATCH 257/821] Another optimisation from Eisenhaber 1994 --- .../nbio/structure/asa/AsaCalculator.java | 64 ++++++++++--------- .../nbio/structure/asa/TestAsaCalc.java | 20 +++--- 2 files changed, 43 insertions(+), 41 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java index 9a5f6edd75..2deed82865 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java @@ -27,6 +27,7 @@ import org.slf4j.LoggerFactory; import javax.vecmath.Point3d; +import javax.vecmath.Vector3d; import java.util.*; import java.util.concurrent.ExecutorService; import java.util.concurrent.Executors; @@ -99,9 +100,9 @@ public void run() { } } - private static class IndexAndDistance { - private final int index; - private final double dist; + public static class IndexAndDistance { + public final int index; + public final double dist; public IndexAndDistance(int index, double dist) { this.index = index; this.dist = dist; @@ -116,7 +117,7 @@ public IndexAndDistance(int index, double dist) { private final int nThreads; private Point3d[] spherePoints; private double cons; - private int[][] neighborIndices; + private IndexAndDistance[][] neighborIndices; private boolean useSpatialHashingForNeighbors; @@ -369,17 +370,17 @@ private Point3d[] generateSpherePoints(int nSpherePoints) { * Returns the 2-dimensional array with neighbor indices for every atom. * @return 2-dimensional array of size: n_atoms x n_neighbors_per_atom */ - int[][] findNeighborIndices() { + IndexAndDistance[][] findNeighborIndices() { // looking at a typical protein case, number of neighbours are from ~10 to ~50, with an average of ~30 int initialCapacity = 60; - int[][] nbsIndices = new int[atomCoords.length][]; + IndexAndDistance[][] nbsIndices = new IndexAndDistance[atomCoords.length][]; for (int k=0; k thisNbIndices = new ArrayList<>(initialCapacity); + List thisNbIndices = new ArrayList<>(initialCapacity); for (int i = 0; i < atomCoords.length; i++) { if (i == k) continue; @@ -387,12 +388,11 @@ int[][] findNeighborIndices() { double dist = atomCoords[i].distance(atomCoords[k]); if (dist < radius + radii[i]) { - thisNbIndices.add(i); + thisNbIndices.add(new IndexAndDistance(i, dist)); } } - int[] indicesArray = new int[thisNbIndices.size()]; - for (int i=0;i> entry : indices.entrySet()) { List list = entry.getValue(); // Sorting by closest to farthest away neighbors achieves faster runtimes when checking for occluded sphere sample points in calcSingleAsa. // This follows the ideas exposed in Eisenhaber et al, J Comp Chemistry 1994 (https://onlinelibrary.wiley.com/doi/epdf/10.1002/jcc.540160303) list = list.stream().sorted(Comparator.comparingDouble(o -> o.dist)).collect(Collectors.toList()); - int[] indicesArray = new int[list.size()]; - for (int i=0; i sqRadii[nbArrayInd]) { is_accessible = false; break; } @@ -527,11 +529,11 @@ private double calcSingleAsa(int i) { if (numDistsCalced!=null) { int sum = 0; - for (int j = 0; j < n_neighbor; j++) sum += numDistsCalced[j]; + for (int nbArrayInd = 0; nbArrayInd < n_neighbor; nbArrayInd++) sum += numDistsCalced[nbArrayInd]; logger.debug("Number of sample points distances calculated for neighbors of i={} : average {}, all {}", i, (double) sum / (double) n_neighbor, numDistsCalced); } - return cons*n_accessible_point*radius*radius; + return cons*n_accessible_point*radius_i*radius_i; } /** diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java index 79598bd410..941d85c06d 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java @@ -98,19 +98,19 @@ public void testNeighborIndicesFinding() throws StructureException, IOException AsaCalculator.DEFAULT_PROBE_SIZE, 1000, 1, false); - int[][] allNbsSh = asaCalc.findNeighborIndicesSpatialHashing(); + AsaCalculator.IndexAndDistance[][] allNbsSh = asaCalc.findNeighborIndicesSpatialHashing(); - int[][] allNbs = asaCalc.findNeighborIndices(); + AsaCalculator.IndexAndDistance[][] allNbs = asaCalc.findNeighborIndices(); for (int indexToTest =0; indexToTest < asaCalc.getAtomCoords().length; indexToTest++) { //int indexToTest = 198; - int[] nbsSh = allNbsSh[indexToTest]; - int[] nbs = allNbs[indexToTest]; + AsaCalculator.IndexAndDistance[] nbsSh = allNbsSh[indexToTest]; + AsaCalculator.IndexAndDistance[] nbs = allNbs[indexToTest]; List listOfMatchingIndices = new ArrayList<>(); for (int i = 0; i < nbsSh.length; i++) { for (int j = 0; j < nbs.length; j++) { - if (nbs[j] == nbsSh[i]) { + if (nbs[j].index == nbsSh[i].index) { listOfMatchingIndices.add(j); break; } @@ -201,21 +201,21 @@ public void testNoNeighborsIssue() { AsaCalculator.DEFAULT_PROBE_SIZE, 1000, 1); - int[][] allNbsSh = asaCalc.findNeighborIndicesSpatialHashing(); + AsaCalculator.IndexAndDistance[][] allNbsSh = asaCalc.findNeighborIndicesSpatialHashing(); - int[][] allNbs = asaCalc.findNeighborIndices(); + AsaCalculator.IndexAndDistance[][] allNbs = asaCalc.findNeighborIndices(); assertEquals(3, allNbs.length); assertEquals(3, allNbsSh.length); for (int indexToTest =0; indexToTest < asaCalc.getAtomCoords().length; indexToTest++) { - int[] nbsSh = allNbsSh[indexToTest]; - int[] nbs = allNbs[indexToTest]; + AsaCalculator.IndexAndDistance[] nbsSh = allNbsSh[indexToTest]; + AsaCalculator.IndexAndDistance[] nbs = allNbs[indexToTest]; List listOfMatchingIndices = new ArrayList<>(); for (int i = 0; i < nbsSh.length; i++) { for (int j = 0; j < nbs.length; j++) { - if (nbs[j] == nbsSh[i]) { + if (nbs[j].index == nbsSh[i].index) { listOfMatchingIndices.add(j); break; } From f3e7e00977bcfe21c2b831411f17f402e5f556a8 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Wed, 27 Jan 2021 22:30:06 -0800 Subject: [PATCH 258/821] Some reorg and docs --- .../nbio/structure/asa/AsaCalculator.java | 24 +++++++++++-------- 1 file changed, 14 insertions(+), 10 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java index 2deed82865..6693490029 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java @@ -31,7 +31,6 @@ import java.util.*; import java.util.concurrent.ExecutorService; import java.util.concurrent.Executors; -import java.util.stream.Collectors; /** @@ -42,6 +41,9 @@ * (now source is available at https://github.com/boscoh/asa). * Thanks to Bosco K. Ho for a great piece of code and for his fantastic blog. *

      + * A few optimizations come from Eisenhaber et al, J Comp Chemistry 1994 + * (https://onlinelibrary.wiley.com/doi/epdf/10.1002/jcc.540160303) + *

      * See * Shrake, A., and J. A. Rupley. "Environment and Exposure to Solvent of Protein Atoms. * Lysozyme and Insulin." JMB (1973) 79:351-371. @@ -49,7 +51,6 @@ * Static Accessibility" JMB (1971) 55:379-400 * * @author Jose Duarte - * */ public class AsaCalculator { @@ -251,7 +252,7 @@ public GroupAsa[] getGroupAsas() { } } - return asas.values().toArray(new GroupAsa[asas.size()]); + return asas.values().toArray(new GroupAsa[0]); } /** @@ -442,11 +443,7 @@ IndexAndDistance[][] findNeighborIndicesSpatialHashing() { IndexAndDistance[][] nbsIndices = new IndexAndDistance[atomCoords.length][]; for (Map.Entry> entry : indices.entrySet()) { List list = entry.getValue(); - // Sorting by closest to farthest away neighbors achieves faster runtimes when checking for occluded sphere sample points in calcSingleAsa. - // This follows the ideas exposed in Eisenhaber et al, J Comp Chemistry 1994 (https://onlinelibrary.wiley.com/doi/epdf/10.1002/jcc.540160303) - list = list.stream().sorted(Comparator.comparingDouble(o -> o.dist)).collect(Collectors.toList()); IndexAndDistance[] indexAndDistances = list.toArray(new IndexAndDistance[0]); - nbsIndices[entry.getKey()] = indexAndDistances; } @@ -483,6 +480,11 @@ private double calcSingleAsa(int i) { int n_neighbor = neighborIndices[i].length; IndexAndDistance[] neighbor_indices = neighborIndices[i]; + // Sorting by closest to farthest away neighbors achieves faster runtimes when checking for occluded + // sphere sample points below. This follows the ideas exposed in + // Eisenhaber et al, J Comp Chemistry 1994 (https://onlinelibrary.wiley.com/doi/epdf/10.1002/jcc.540160303) + Arrays.sort(neighbor_indices, Comparator.comparingDouble(o -> o.dist)); + double radius_i = probe + radii[i]; int n_accessible_point = 0; @@ -508,11 +510,13 @@ private double calcSingleAsa(int i) { boolean is_accessible = true; // note that the neighbors are sorted by distance, achieving optimal performance in this inner loop - // See Eisenhaber et al, J Comp Chemistry 1994 (https://onlinelibrary.wiley.com/doi/epdf/10.1002/jcc.540160303) + // See Eisenhaber et al, J Comp Chemistry 1994 for (int nbArrayInd =0; nbArrayInd Date: Wed, 27 Jan 2021 22:47:26 -0800 Subject: [PATCH 259/821] A scaling test (ignored) --- .../nbio/structure/asa/AsaCalculator.java | 35 ------------------- .../nbio/structure/asa/TestAsaCalc.java | 30 +++++++++++++++- 2 files changed, 29 insertions(+), 36 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java index 6693490029..ad6b464805 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java @@ -285,41 +285,6 @@ public double[] calculateAsas() { } else { logger.debug("Will use {} threads for ASA calculation", nThreads); - // NOTE the multithreaded calculation does not scale up well in some systems, - // why? I guess some memory/garbage collect problem? I tried increasing Xmx in pc8201 but didn't help - - // Following scaling tests are for 3hbx, calculating ASA of full asym unit (6 chains): - - // SCALING test done in merlinl01 (12 cores, Xeon X5670 @ 2.93GHz, 24GB RAM) - //1 threads, time: 8.8s -- x1.0 - //2 threads, time: 4.4s -- x2.0 - //3 threads, time: 2.9s -- x3.0 - //4 threads, time: 2.2s -- x3.9 - //5 threads, time: 1.8s -- x4.9 - //6 threads, time: 1.6s -- x5.5 - //7 threads, time: 1.4s -- x6.5 - //8 threads, time: 1.3s -- x6.9 - - // SCALING test done in pc8201 (4 cores, Core2 Quad Q9550 @ 2.83GHz, 8GB RAM) - //1 threads, time: 17.2s -- x1.0 - //2 threads, time: 9.7s -- x1.8 - //3 threads, time: 7.7s -- x2.2 - //4 threads, time: 7.9s -- x2.2 - - // SCALING test done in eppic01 (16 cores, Xeon E5-2650 0 @ 2.00GHz, 128GB RAM) - //1 threads, time: 10.7s -- x1.0 - //2 threads, time: 5.6s -- x1.9 - //3 threads, time: 3.6s -- x3.0 - //4 threads, time: 2.8s -- x3.9 - //5 threads, time: 2.3s -- x4.8 - //6 threads, time: 1.8s -- x6.0 - //7 threads, time: 1.6s -- x6.8 - //8 threads, time: 1.3s -- x8.0 - //9 threads, time: 1.3s -- x8.5 - //10 threads, time: 1.1s -- x10.0 - //11 threads, time: 1.0s -- x10.9 - //12 threads, time: 0.9s -- x11.4 - ExecutorService threadPool = Executors.newFixedThreadPool(nThreads); diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java index 941d85c06d..7add4cf1e7 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/asa/TestAsaCalc.java @@ -32,6 +32,7 @@ import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import static org.junit.Assert.*; +import org.junit.Ignore; import org.junit.Test; import java.io.IOException; @@ -57,7 +58,6 @@ public void testAsa3PIU() throws StructureException, IOException { Structure structure = StructureIO.getStructure("3PIU"); - AsaCalculator asaCalc = new AsaCalculator(structure, AsaCalculator.DEFAULT_PROBE_SIZE, 1000, 1, false); @@ -86,6 +86,34 @@ public void testAsa3PIU() throws StructureException, IOException { } + @Ignore("This is a performance test to be run manually") + @Test + public void testMultithreadScaling() throws StructureException, IOException { + + // important: without this the tests can fail when running in maven (but not in IDE) + // that's because it depends on the order on how tests were run - JD 2018-03-10 + ChemCompGroupFactory.setChemCompProvider(new DownloadChemCompProvider()); + + Structure structure = StructureIO.getStructure("3hbx"); + int[] numThreads = {1, 2, 3, 4}; + long timeSingleThread = 0; + for (int numThread : numThreads) { + AsaCalculator asaCalc = new AsaCalculator(structure, + AsaCalculator.DEFAULT_PROBE_SIZE, + 100, numThread, false); + + long start = System.currentTimeMillis(); + asaCalc.calculateAsas(); + long end = System.currentTimeMillis(); + long time = end - start; + if (numThread == 1) { + timeSingleThread = time; + } + System.out.printf("%6d threads : %6d ms (x%3.1f)\n", numThread, time, (double)timeSingleThread/time); + } + // nothing to assert + } + @Test public void testNeighborIndicesFinding() throws StructureException, IOException { // important: without this the tests can fail when running in maven (but not in IDE) From 8e9535c070fdafea32609bd9f5065b00b641dd27 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Wed, 27 Jan 2021 22:52:22 -0800 Subject: [PATCH 260/821] Logging --- .../java/org/biojava/nbio/structure/asa/AsaCalculator.java | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java index ad6b464805..4edb428df0 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java @@ -568,7 +568,7 @@ else if (atomCode.equals("CA") || atomCode.equals("CB") || else if (atomCode.equals("CG")) return TETRAHEDRAL_CARBON_VDW; default: - logger.info("Unexpected carbon atom "+atomCode+" for aminoacid "+aa+", assigning its standard vdw radius"); + logger.info("Unexpected carbon atom {} for aminoacid {}, assigning its standard vdw radius", atomCode, aa); return Element.C.getVDWRadius(); } } @@ -576,8 +576,7 @@ else if (atomCode.equals("CA") || atomCode.equals("CB") || // not any of the expected atoms } else { // non standard aas, (e.g. MSE, LLP) will always have this problem, - logger.info("Unexpected atom "+atomCode+" for aminoacid "+aa+ " ("+amino.getPDBName()+"), assigning its standard vdw radius"); - + logger.debug("Unexpected atom {} for aminoacid {} ({}), assigning its standard vdw radius", atomCode, aa, amino.getPDBName()); return atom.getElement().getVDWRadius(); } From f27295efe12f15a8b7ff196682da9ae7726375ca Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Thu, 28 Jan 2021 09:57:29 -0800 Subject: [PATCH 261/821] Visibility --- .../org/biojava/nbio/structure/asa/AsaCalculator.java | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java index 4edb428df0..387e60ed68 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java @@ -90,7 +90,7 @@ private class AsaCalcWorker implements Runnable { private final int i; private final double[] asas; - public AsaCalcWorker(int i, double[] asas) { + private AsaCalcWorker(int i, double[] asas) { this.i = i; this.asas = asas; } @@ -101,10 +101,10 @@ public void run() { } } - public static class IndexAndDistance { - public final int index; - public final double dist; - public IndexAndDistance(int index, double dist) { + static class IndexAndDistance { + final int index; + final double dist; + IndexAndDistance(int index, double dist) { this.index = index; this.dist = dist; } From 6a447d61226aeb1ab287750f99b5be8dc72ab84a Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Thu, 28 Jan 2021 11:52:05 -0800 Subject: [PATCH 262/821] Use Vector3d for points, more docs --- .../nbio/structure/asa/AsaCalculator.java | 21 +++++++++++-------- 1 file changed, 12 insertions(+), 9 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java index 387e60ed68..144bcd1209 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/asa/AsaCalculator.java @@ -116,7 +116,7 @@ static class IndexAndDistance { private final double[] radii; private final double probe; private final int nThreads; - private Point3d[] spherePoints; + private Vector3d[] spherePoints; private double cons; private IndexAndDistance[][] neighborIndices; @@ -314,20 +314,20 @@ void setUseSpatialHashingForNeighbors(boolean useSpatialHashingForNeighbors) { } /** - * Returns list of 3d coordinates of points on a sphere using the + * Returns list of 3d coordinates of points on a unit sphere using the * Golden Section Spiral algorithm. * @param nSpherePoints the number of points to be used in generating the spherical dot-density - * @return + * @return the array of points as Vector3d objects */ - private Point3d[] generateSpherePoints(int nSpherePoints) { - Point3d[] points = new Point3d[nSpherePoints]; + private Vector3d[] generateSpherePoints(int nSpherePoints) { + Vector3d[] points = new Vector3d[nSpherePoints]; double inc = Math.PI * (3.0 - Math.sqrt(5.0)); double offset = 2.0 / nSpherePoints; for (int k=0;k o.dist)); double radius_i = probe + radii[i]; int n_accessible_point = 0; - + // purely for debugging int[] numDistsCalced = null; if (logger.isDebugEnabled()) numDistsCalced = new int[n_neighbor]; @@ -471,7 +473,7 @@ private double calcSingleAsa(int i) { aj_minus_ais[nbArrayInd] = aj_minus_ai; } - for (Point3d point: spherePoints){ + for (Vector3d point: spherePoints){ boolean is_accessible = true; // note that the neighbors are sorted by distance, achieving optimal performance in this inner loop @@ -482,7 +484,7 @@ private double calcSingleAsa(int i) { // see equation 3 in Eisenhaber 1994. This is slightly more efficient than // calculating distances to the actual sphere points on atom_i (which would be obtained with: // Point3d test_point = new Point3d(point.x*radius + atom_i.x,point.y*radius + atom_i.y,point.z*radius + atom_i.z)) - double dotProd = aj_minus_ais[nbArrayInd].dot(new Vector3d(point)); + double dotProd = aj_minus_ais[nbArrayInd].dot(point); if (numDistsCalced!=null) numDistsCalced[nbArrayInd]++; @@ -496,6 +498,7 @@ private double calcSingleAsa(int i) { } } + // purely for debugging if (numDistsCalced!=null) { int sum = 0; for (int numDistCalcedForJ : numDistsCalced) sum += numDistCalcedForJ; From 4f44fce6e278582f612286b23eed866e5bb67ebc Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Mon, 1 Feb 2021 15:33:36 -0800 Subject: [PATCH 263/821] Group.java from upstream --- .../src/main/java/org/biojava/nbio/structure/Group.java | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java index d1e5f34963..8b7b5cb809 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/Group.java @@ -103,12 +103,13 @@ public interface Group extends Serializable { /** * Set the atoms of this group. - * @see {@link Atom} + * @see Atom * @param atoms a list of atoms */ public void setAtoms(List atoms); - /** Remove all atoms from this group. + /** + * Remove all atoms from this group. * */ public void clearAtoms(); @@ -118,13 +119,14 @@ public interface Group extends Serializable { * Beware that some PDB atom names are ambiguous (e.g. CA, which means C-alpha or Calcium), * ambiguities should not occur within the same group though. To solve these ambiguities * one would need to check the atom returned for the required element with {@link Atom#getElement()} + *

      + * Note this method will return only the atom in the default alternative location (be it '.' or a letter). * * @param name a trimmed String representing the atom's PDB name, e.g. "CA" * @return an Atom object or null if no such atom exists within this group */ public Atom getAtom(String name) ; - /** * Get at atom by position. * From 53982b0ba820e020c37596d25d6af27639f4a053 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 2 Feb 2021 09:37:02 -0800 Subject: [PATCH 264/821] update CHANGELOG.md --- CHANGELOG.md | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 22f265c548..2403e0f6ca 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -15,6 +15,16 @@ BioJava 6.0.0 (future release) * Support for automatically fetching dssp files from RCSB (`org.biojava.nbio.structure.secstruc.DSSPParser.fetch()`) * `org.biojava.nbio.structure.PDBStatus`: simplified `Status` enum to 3 states, with OBSOLETE now called REMOVED * `org.biojava.nbio.structure.PDBStatus`: removed `getReplacement` and `getReplaces` +* Removed `org.biojava.nbio.structure.io.mmcif` package +* Removed functionality to write isolated CIF headers from `FileConvert` + +### Breaking API changes +* Extracted `StructureIO.StructureFiletype` enum to `org.biojava.nbio.structure.io.StructureFiletype` (supports `PDB`, `MMTF`, `CIF`, and `BCIF`) +* `org.biojava.nbio.structure.align.util.AtomCache`: removed `setUseMmCif`, `setUseMmtf`, `isUseMmCif`, and `isUseMmtf` - replaced by `setFiletype` and `getFiletype` that controls parsed content via the `StructureFiletype` +* `org.biojava.nbio.structure.io.MMCIFFileReader` is now effectively `org.biojava.nbio.structure.io.CifFileReader` +* Moved `org.biojava.nbio.structure.io.mmcif.model.DatabasePdbrevRecord` to `org.biojava.nbio.structure.DatabasePDBRevRecord.java` +* Moved all chem-comp model classes from `org.biojava.nbio.structure.io.mmcif.chem` to `org.biojava.nbio.structure.chem` +* Moved all chem-comp parsing classes from `org.biojava.nbio.structure.io.mmcif.chem` to `org.biojava.nbio.structure.io.cif` BioJava 5.4.0 ============= From 19766ca1414f3cc701a03e99e918c466a070d516 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 2 Feb 2021 17:29:15 -0800 Subject: [PATCH 265/821] update AtomCacheTest --- .../nbio/structure/align/util/AtomCache.java | 30 +------------------ .../structure/align/util/AtomCacheTest.java | 11 ++++--- 2 files changed, 6 insertions(+), 35 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java index 552f0427ef..d4d1638c12 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/util/AtomCache.java @@ -525,8 +525,7 @@ public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatab public Structure getStructureForDomain(ScopDomain domain, ScopDatabase scopDatabase, boolean strictLigandHandling) throws IOException, StructureException { String pdbId = domain.getPdbId(); - // SMB 1/26/21 - forcing loading MMTF here - TODO why doesn't mmCIF/CIF/BCIF parsing work here? - Structure fullStructure = getStructureForPdbIdByMmtf(pdbId); + Structure fullStructure = getStructureForPdbId(pdbId); Structure structure = domain.reduce(fullStructure); // TODO It would be better to move all of this into the reduce method, @@ -802,33 +801,6 @@ public Structure getStructureForPdbId(String pdbId) throws IOException, Structur } } - /** - * SCOP parsing depends on MMTF, this a dedicated method to allow for that. - * @param pdbId what to load - * @return a Structure object - * @throws IOException - * @throws StructureException - */ - private Structure getStructureForPdbIdByMmtf(String pdbId) throws IOException, StructureException { - if (pdbId == null) - return null; - if (pdbId.length() != 4) { - throw new StructureException("Unrecognized PDB ID: " + pdbId); - } - while (checkLoading(pdbId)) { - // waiting for loading to be finished... - - try { - Thread.sleep(100); - } catch (InterruptedException e) { - logger.error(e.getMessage()); - } - } - - logger.debug("loading from mmtf"); - return loadStructureFromMmtfByPdbId(pdbId); - } - /** * Load a {@link Structure} from MMTF either from the local file system. * @param pdbId the input PDB id diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java index 25a711e0b1..ce332f4f70 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/align/util/AtomCacheTest.java @@ -178,13 +178,12 @@ public void testGetStructureForChainlessDomains() throws IOException, StructureE int expectedLengthA = 135; assertEquals(expectedLengthA, a.getAtomGroups().size()); + assertEquals(2, structure.getNonPolyChains().size()); - assertTrue(structure.hasNonPolyChain("G")); - assertTrue(structure.hasNonPolyChain("H")); - - Chain copper = structure.getNonPolyChain("I"); - assertEquals(1,copper.getAtomGroups().size()); - + Chain copperM = structure.getNonPolyChain("M"); + assertEquals(1, copperM.getAtomGroups().size()); + Chain copperN = structure.getNonPolyChain("N"); + assertEquals(1, copperN.getAtomGroups().size()); } @Test From e94f047cad95ccc1bf1acd4f6341f5569cf8a75c Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Wed, 10 Feb 2021 11:04:07 -0800 Subject: [PATCH 266/821] increase QCP precision threshold (try to fix #914) --- .../org/biojava/nbio/structure/geometry/SuperPositionQCP.java | 2 +- .../java/org/biojava/nbio/structure/io/TestHardBioUnits.java | 4 ---- 2 files changed, 1 insertion(+), 5 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/geometry/SuperPositionQCP.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/geometry/SuperPositionQCP.java index a3d5728f19..a45a854bbf 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/geometry/SuperPositionQCP.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/geometry/SuperPositionQCP.java @@ -111,7 +111,7 @@ public final class SuperPositionQCP extends SuperPositionAbstract { private static final Logger logger = LoggerFactory.getLogger(SuperPositionQCP.class); - private double evec_prec = 1E-6; + private double evec_prec = 1E-3; private double eval_prec = 1E-11; private Point3d[] x; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java index b50b4524fc..797307d0c0 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java @@ -107,10 +107,6 @@ public void test4A1I() throws IOException, StructureException { String pdbId = "4A1I"; int biolAssemblyNr = 2; - AtomCache atomCache = new AtomCache(); - // TODO there seem to be numerical instabilities when parsing BCIF - atomCache.setFiletype(StructureFiletype.CIF); - StructureIO.setAtomCache(atomCache); Structure bioAssembly = StructureIO.getBiologicalAssembly(pdbId,biolAssemblyNr); if ( bioAssembly == null){ From 83cf763e0f4b91da5b45fb2deaa8bb63ecbe9857 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Thu, 11 Feb 2021 16:57:33 -0800 Subject: [PATCH 267/821] Revert "increase QCP precision threshold (try to fix #914)" This reverts commit e94f047c --- .../org/biojava/nbio/structure/geometry/SuperPositionQCP.java | 2 +- .../java/org/biojava/nbio/structure/io/TestHardBioUnits.java | 4 ++++ 2 files changed, 5 insertions(+), 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/geometry/SuperPositionQCP.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/geometry/SuperPositionQCP.java index a45a854bbf..a3d5728f19 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/geometry/SuperPositionQCP.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/geometry/SuperPositionQCP.java @@ -111,7 +111,7 @@ public final class SuperPositionQCP extends SuperPositionAbstract { private static final Logger logger = LoggerFactory.getLogger(SuperPositionQCP.class); - private double evec_prec = 1E-3; + private double evec_prec = 1E-6; private double eval_prec = 1E-11; private Point3d[] x; diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java index 797307d0c0..b50b4524fc 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java @@ -107,6 +107,10 @@ public void test4A1I() throws IOException, StructureException { String pdbId = "4A1I"; int biolAssemblyNr = 2; + AtomCache atomCache = new AtomCache(); + // TODO there seem to be numerical instabilities when parsing BCIF + atomCache.setFiletype(StructureFiletype.CIF); + StructureIO.setAtomCache(atomCache); Structure bioAssembly = StructureIO.getBiologicalAssembly(pdbId,biolAssemblyNr); if ( bioAssembly == null){ From 069126ced7e1a85ea188ada0df77181de4d90c2b Mon Sep 17 00:00:00 2001 From: Michael L Heuer Date: Mon, 22 Feb 2021 09:26:59 -0600 Subject: [PATCH 268/821] Update guava dependency version to 29.0-jre. --- biojava-genome/pom.xml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index e219872582..c4d667cf50 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -75,7 +75,7 @@ com.google.guava guava compile - 28.1-jre + 29.0-jre junit From 1e59bb59883c3d2afe88671d60f48924fc3ece73 Mon Sep 17 00:00:00 2001 From: Michael L Heuer Date: Mon, 22 Feb 2021 09:27:35 -0600 Subject: [PATCH 269/821] Collect to ArrayList rather than LinkedList. --- .../org/biojava/nbio/genome/io/fastq/AbstractFastqReader.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/AbstractFastqReader.java b/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/AbstractFastqReader.java index 17ca61205c..b10a005fc7 100755 --- a/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/AbstractFastqReader.java +++ b/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/AbstractFastqReader.java @@ -152,7 +152,7 @@ public final Iterable read(final InputStream inputStream) throws IOExcept private static final class Collect implements StreamListener { /** List of FASTQ formatted sequences. */ - private final List result = Lists.newLinkedList(); + private final List result = Lists.newArrayList(); @Override public void fastq(final Fastq fastq) From 02b0ece17db3dc6ace817c231ea0ae7998cfcc1b Mon Sep 17 00:00:00 2001 From: Michael L Heuer Date: Mon, 22 Feb 2021 09:48:37 -0600 Subject: [PATCH 270/821] Add copy constructor to FastqBuilder. --- .../biojava/nbio/genome/io/fastq/Fastq.java | 15 ++++++++ .../nbio/genome/io/fastq/FastqBuilder.java | 19 ++++++++++ .../genome/io/fastq/FastqBuilderTest.java | 35 +++++++++++++++++++ .../nbio/genome/io/fastq/FastqTest.java | 14 ++++++++ 4 files changed, 83 insertions(+) diff --git a/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/Fastq.java b/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/Fastq.java index 2de9e05713..11e1d959f8 100755 --- a/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/Fastq.java +++ b/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/Fastq.java @@ -145,4 +145,19 @@ public static final FastqBuilder builder() { return new FastqBuilder(); } + + /** + * Create and return a new FastqBuilder configured from the + * specified FASTQ formatted sequence. + * The FastqBuilder will not be null. + * + * @since 6.0.0 + * @param fastq FASTQ formatted sequence, must not be null + * @return a new FastqBuilder configured from the specified FASTQ + * formatted sequence + */ + public static final FastqBuilder builder(final Fastq fastq) + { + return new FastqBuilder(fastq); + } } diff --git a/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/FastqBuilder.java b/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/FastqBuilder.java index 4067e90b9c..8b2ced15f2 100755 --- a/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/FastqBuilder.java +++ b/biojava-genome/src/main/java/org/biojava/nbio/genome/io/fastq/FastqBuilder.java @@ -51,6 +51,25 @@ public FastqBuilder() // empty } + /** + * Create a new FASTQ formatted sequence builder configured + * from the specified FASTQ formatted sequence. + * + * @since 6.0.0 + * @param fastq FASTQ formatted sequence, must not be null + */ + public FastqBuilder(final Fastq fastq) + { + if (fastq == null) + { + throw new IllegalArgumentException("fastq must not be null"); + } + withDescription(fastq.getDescription()); + withSequence(fastq.getSequence()); + withQuality(fastq.getQuality()); + withVariant(fastq.getVariant()); + } + /** * Return the description for this FASTQ formatted sequence builder. diff --git a/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqBuilderTest.java b/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqBuilderTest.java index b013e996d2..8d68673989 100755 --- a/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqBuilderTest.java +++ b/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqBuilderTest.java @@ -36,6 +36,41 @@ public void testConstructor() Assert.assertNotNull(fastqBuilder); } + @Test + public void testConstructorFastq() + { + FastqBuilder fastqBuilder = new FastqBuilder() + .withDescription("description") + .withSequence("sequence") + .withQuality("quality_") + .withVariant(FastqVariant.FASTQ_SOLEXA); + + Fastq fastq = fastqBuilder.build(); + + FastqBuilder fastqBuilder2 = new FastqBuilder(fastq); + Assert.assertNotNull(fastqBuilder2); + + Fastq fastq2 = fastqBuilder2.build(); + Assert.assertEquals("description", fastq2.getDescription()); + Assert.assertEquals("sequence", fastq2.getSequence()); + Assert.assertEquals("quality_", fastq2.getQuality()); + Assert.assertEquals(FastqVariant.FASTQ_SOLEXA, fastq2.getVariant()); + } + + @Test + public void testConstructorNullFastq() + { + try + { + new FastqBuilder(null); + Assert.fail("builder(null) expected IllegalArgumentException"); + } + catch (IllegalArgumentException e) + { + // expected + } + } + @Test public void testBuildDefault() { diff --git a/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqTest.java b/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqTest.java index b6fc3c98b0..564f8eed1c 100755 --- a/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqTest.java +++ b/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqTest.java @@ -111,6 +111,20 @@ public void testBuilder() Assert.assertNotNull(Fastq.builder()); } + @Test + public void testBuilderNullFastq() + { + try + { + Fastq.builder(null); + Assert.fail("builder(null) expected IllegalArgumentException"); + } + catch (IllegalArgumentException e) + { + // expected + } + } + @Test public void testEquals() { From 54f4c2b1797d55ff034ac27e897cfc0cb5e55e2f Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Wed, 24 Feb 2021 10:27:35 -0800 Subject: [PATCH 271/821] dedicated test for SuperPositionQCP issues (#914) --- .../geometry/TestSuperPositionQCP.java | 34 ++++++++++++++----- 1 file changed, 26 insertions(+), 8 deletions(-) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/geometry/TestSuperPositionQCP.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/geometry/TestSuperPositionQCP.java index 8928c26cbd..f5080786fb 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/geometry/TestSuperPositionQCP.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/geometry/TestSuperPositionQCP.java @@ -20,20 +20,19 @@ */ package org.biojava.nbio.structure.geometry; -import static org.junit.Assert.*; - -import java.util.Random; +import org.junit.Ignore; +import org.junit.Test; +import org.slf4j.Logger; +import org.slf4j.LoggerFactory; import javax.vecmath.AxisAngle4d; import javax.vecmath.Matrix4d; import javax.vecmath.Point3d; import javax.vecmath.Vector3d; +import java.util.Random; -import org.biojava.nbio.structure.geometry.SuperPositionQuat; -import org.biojava.nbio.structure.geometry.SuperPositionQCP; -import org.junit.Test; -import org.slf4j.Logger; -import org.slf4j.LoggerFactory; +import static org.junit.Assert.assertEquals; +import static org.junit.Assert.assertTrue; /** * Test the Quaternion-Based Characteristic Polynomial {@link SuperPositionQCP} @@ -166,4 +165,23 @@ public void testAlternativeUsageQCP() { } + @Ignore("test for https://github.com/biojava/biojava/issues/914") + @Test + public void shouldHandleTwoFoldSymmetry() { + Matrix4d operator = new Matrix4d(-1, 0, 0, 0, + 0, 1, 0, 0, + 0, 0, -1, 0, + 0, 0, 0, 1); + + // add some jitter - otherwise rotation matrix will contain NaN + Point3d[] original = new Point3d[] { new Point3d(0, 0, 0), new Point3d(1.001, 0, 0) }; + Point3d[] transformed = new Point3d[] { new Point3d(0, 0, 0), new Point3d(-1, 0, 0) }; + + SuperPosition sqcp = new SuperPositionQCP(false); + + // operator 2 is a 2-fold, trace should be == -1 + Matrix4d m = sqcp.superposeAndTransform(original, transformed); + assertEquals(-1.0, m.m00 + m.m11 + m.m22, 0.001); + assertEquals(0.0, CalcPoint.rmsd(original, transformed), 0.001); + } } From 288b18c88181b422ff9fafbc50ee5748350554f4 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Wed, 24 Feb 2021 10:29:57 -0800 Subject: [PATCH 272/821] switch from QCP to SVD --- .../biojava/nbio/structure/io/TestHardBioUnits.java | 12 ++++-------- 1 file changed, 4 insertions(+), 8 deletions(-) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java index b50b4524fc..41e2394cb5 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java @@ -29,7 +29,7 @@ import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.geometry.CalcPoint; import org.biojava.nbio.structure.geometry.SuperPosition; -import org.biojava.nbio.structure.geometry.SuperPositionQCP; +import org.biojava.nbio.structure.geometry.SuperPositionSVD; import org.junit.Test; import static org.junit.Assert.*; @@ -107,10 +107,6 @@ public void test4A1I() throws IOException, StructureException { String pdbId = "4A1I"; int biolAssemblyNr = 2; - AtomCache atomCache = new AtomCache(); - // TODO there seem to be numerical instabilities when parsing BCIF - atomCache.setFiletype(StructureFiletype.CIF); - StructureIO.setAtomCache(atomCache); Structure bioAssembly = StructureIO.getBiologicalAssembly(pdbId,biolAssemblyNr); if ( bioAssembly == null){ @@ -177,16 +173,16 @@ public void test4A1I() throws IOException, StructureException { Point3d[] atomsTransfChainG = Calc.atomsToPoints(StructureTools.getAtomCAArray(transfChainG)); Point3d[] atomsTransfChainB = Calc.atomsToPoints(StructureTools.getAtomCAArray(transfChainB)); - SuperPosition sqcp = new SuperPositionQCP(false); + SuperPosition superPosition = new SuperPositionSVD(false); // operator 1 is the identity, trace should be == 3 - Matrix4d m1 = sqcp.superposeAndTransform(atomsOrigChainG, atomsTransfChainG); + Matrix4d m1 = superPosition.superposeAndTransform(atomsOrigChainG, atomsTransfChainG); assertEquals(3.0, m1.m00 + m1.m11 + m1.m22, 0.00001); assertEquals(0.0, CalcPoint.rmsd(atomsOrigChainG, atomsTransfChainG), 0.00001); // operator 2 is a 2-fold, trace should be == -1 - Matrix4d m2 = sqcp.superposeAndTransform(atomsOrigChainB, atomsTransfChainB); + Matrix4d m2 = superPosition.superposeAndTransform(atomsOrigChainB, atomsTransfChainB); assertEquals(-1.0, m2.m00 + m2.m11 + m2.m22, 0.00001); assertEquals(0.0, CalcPoint.rmsd(atomsOrigChainB, atomsTransfChainB), 0.00001); From 71368bebfc9e3cd9113df9031978d5f7c8e2ebb5 Mon Sep 17 00:00:00 2001 From: Michael L Heuer Date: Fri, 26 Feb 2021 11:33:21 -0600 Subject: [PATCH 273/821] Address review comments. --- .../nbio/genome/io/fastq/FastqBuilderTest.java | 18 ++++++++---------- .../nbio/genome/io/fastq/FastqTest.java | 16 +++++++--------- 2 files changed, 15 insertions(+), 19 deletions(-) diff --git a/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqBuilderTest.java b/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqBuilderTest.java index 8d68673989..5803068276 100755 --- a/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqBuilderTest.java +++ b/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqBuilderTest.java @@ -20,10 +20,11 @@ */ package org.biojava.nbio.genome.io.fastq; - import org.junit.Assert; import org.junit.Test; +import org.junit.function.ThrowingRunnable; + /** * Unit test for FastqBuilder. */ @@ -60,15 +61,12 @@ public void testConstructorFastq() @Test public void testConstructorNullFastq() { - try - { - new FastqBuilder(null); - Assert.fail("builder(null) expected IllegalArgumentException"); - } - catch (IllegalArgumentException e) - { - // expected - } + Assert.assertThrows(IllegalArgumentException.class, new ThrowingRunnable() { + @Override + public void run() { + new FastqBuilder(null); + } + }); } @Test diff --git a/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqTest.java b/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqTest.java index 564f8eed1c..62d7ee9368 100755 --- a/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqTest.java +++ b/biojava-genome/src/test/java/org/biojava/nbio/genome/io/fastq/FastqTest.java @@ -23,6 +23,7 @@ import org.junit.Assert; import org.junit.Test; +import org.junit.function.ThrowingRunnable; /** * Unit test for Fastq. @@ -114,15 +115,12 @@ public void testBuilder() @Test public void testBuilderNullFastq() { - try - { - Fastq.builder(null); - Assert.fail("builder(null) expected IllegalArgumentException"); - } - catch (IllegalArgumentException e) - { - // expected - } + Assert.assertThrows(IllegalArgumentException.class, new ThrowingRunnable() { + @Override + public void run() { + Fastq.builder(null); + } + }); } @Test From 1f80b1976518a108e143db9e34104abe8aa68098 Mon Sep 17 00:00:00 2001 From: Michael L Heuer Date: Fri, 26 Feb 2021 16:25:38 -0600 Subject: [PATCH 274/821] Update junit dependency version to 4.13.2, log4j to 2.14.0. --- pom.xml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/pom.xml b/pom.xml index 66521c8b2f..368b6ab568 100644 --- a/pom.xml +++ b/pom.xml @@ -42,7 +42,7 @@ 512M 1.0.9 1.7.30 - 2.13.3 + 2.14.0 ciftools-java-jdk8 2.0.2 @@ -480,7 +480,7 @@ junit junit - 4.13.1 + 4.13.2 test From 20c72bfe109719a03f2dde3c497be3ec687aadd2 Mon Sep 17 00:00:00 2001 From: Michael L Heuer Date: Fri, 26 Feb 2021 17:03:13 -0600 Subject: [PATCH 275/821] Update maven plugin dependency versions. --- pom.xml | 32 ++++++++++++++++---------------- 1 file changed, 16 insertions(+), 16 deletions(-) diff --git a/pom.xml b/pom.xml index 368b6ab568..afee698d7b 100644 --- a/pom.xml +++ b/pom.xml @@ -170,7 +170,7 @@ maven-compiler-plugin - 3.8.0 + 3.8.1 ${jdk.version} ${jdk.version} @@ -178,23 +178,23 @@ maven-dependency-plugin - 3.1.1 + 3.1.2 maven-jar-plugin - 3.1.2 + 3.2.0 maven-scm-plugin - 1.10.0 + 1.11.2 maven-source-plugin - 3.0.1 + 3.2.1 maven-failsafe-plugin - 3.0.0-M3 + 3.0.0-M5 net.sf @@ -209,7 +209,7 @@ org.apache.maven.plugins maven-release-plugin - 2.5.3 + 3.0.0-M1 true clean install @@ -227,7 +227,7 @@ org.apache.maven.plugins maven-javadoc-plugin - 3.1.0 + 3.2.0 -Xdoclint:none @@ -245,11 +245,11 @@ org.apache.maven.plugins maven-shade-plugin - 3.2.0 + 3.2.4 maven-assembly-plugin - 3.1.0 + 3.3.0 src/main/assembly/assembly.xml @@ -283,18 +283,18 @@ org.apache.maven.plugins maven-checkstyle-plugin - 3.0.0 + 3.1.1 org.apache.maven.plugins maven-resources-plugin - 3.1.0 + 3.2.0 maven-enforcer-plugin - 3.0.0-M2 + 3.0.0-M3 enforce-java @@ -319,12 +319,12 @@ org.apache.maven.plugins maven-surefire-plugin - 3.0.0-M3 + 3.0.0-M5 org.apache.maven.plugins maven-site-plugin - 3.7.1 + 3.9.1 @@ -343,7 +343,7 @@ org.sonatype.plugins nexus-staging-maven-plugin - 1.6.7 + 1.6.8 true ossrh From e40d0efdd0d1337741264d3e6389605bf822f440 Mon Sep 17 00:00:00 2001 From: Spencer Bliven Date: Mon, 1 Mar 2021 17:35:50 +0100 Subject: [PATCH 276/821] Fix #917: Symmetry doesn't display with non-US locales - Always use the US locale when printing jmol scripts - Update Jmol to 14.31.10 while we're at it. --- biojava-structure-gui/pom.xml | 2 +- .../symmetry/jmolScript/JmolSymmetryScriptGenerator.java | 5 +++-- 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index a57bf73cdb..154f7c229d 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -42,7 +42,7 @@ net.sourceforge.jmol jmol - 14.29.17 + 14.31.10 diff --git a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/symmetry/jmolScript/JmolSymmetryScriptGenerator.java b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/symmetry/jmolScript/JmolSymmetryScriptGenerator.java index dd2401b2c8..8d3e89b4bf 100644 --- a/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/symmetry/jmolScript/JmolSymmetryScriptGenerator.java +++ b/biojava-structure-gui/src/main/java/org/biojava/nbio/structure/symmetry/jmolScript/JmolSymmetryScriptGenerator.java @@ -29,6 +29,7 @@ import javax.vecmath.Tuple3d; import java.util.List; +import java.util.Locale; import java.util.Map; import java.util.Map.Entry; @@ -226,11 +227,11 @@ protected static String getJmolPoint(Tuple3d point) { } protected static String f1Dot2(float number) { - return String.format("%1.2f", number); + return String.format(Locale.US, "%1.2f", number); } protected static String fDot2(double number) { - return String.format("%.2f", number); + return String.format(Locale.US, "%.2f", number); } /** From 802abb832c3295ff32b589f5190956dfb57515b6 Mon Sep 17 00:00:00 2001 From: Spencer Bliven Date: Mon, 1 Mar 2021 17:38:24 +0100 Subject: [PATCH 277/821] Test that Jmol polygons scripts generate correctly. This runs QuatSymmetryDetector. It would be better to mock the results, but this is nontrivial with the current implementation. --- .../TestJmolSymmetryScriptGenerator.java | 67 +++++++++++++++++++ 1 file changed, 67 insertions(+) create mode 100644 biojava-structure-gui/src/test/java/org/biojava/nbio/structure/symmetry/TestJmolSymmetryScriptGenerator.java diff --git a/biojava-structure-gui/src/test/java/org/biojava/nbio/structure/symmetry/TestJmolSymmetryScriptGenerator.java b/biojava-structure-gui/src/test/java/org/biojava/nbio/structure/symmetry/TestJmolSymmetryScriptGenerator.java new file mode 100644 index 0000000000..164319e977 --- /dev/null +++ b/biojava-structure-gui/src/test/java/org/biojava/nbio/structure/symmetry/TestJmolSymmetryScriptGenerator.java @@ -0,0 +1,67 @@ +/* + * BioJava development code + * + * This code may be freely distributed and modified under the + * terms of the GNU Lesser General Public Licence. This should + * be distributed with the code. If you do not have a copy, + * see: + * + * http://www.gnu.org/copyleft/lesser.html + * + * Copyright for this code is held jointly by the individual + * authors. These should be listed in @author doc comments. + * + * For more information on the BioJava project and its aims, + * or to join the biojava-l mailing list, visit the home page + * at: + * + * http://www.biojava.org/ + * + */ +package org.biojava.nbio.structure.symmetry; + +import static org.junit.Assert.assertEquals; + +import java.io.IOException; +import java.util.List; + +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.StructureException; +import org.biojava.nbio.structure.StructureIO; +import org.biojava.nbio.structure.cluster.SubunitCluster; +import org.biojava.nbio.structure.cluster.SubunitClustererParameters; +import org.biojava.nbio.structure.symmetry.axis.RotationAxisAligner; +import org.biojava.nbio.structure.symmetry.core.QuatSymmetryDetector; +import org.biojava.nbio.structure.symmetry.core.QuatSymmetryParameters; +import org.biojava.nbio.structure.symmetry.core.QuatSymmetryResults; +import org.biojava.nbio.structure.symmetry.core.RotationGroup; +import org.biojava.nbio.structure.symmetry.core.Stoichiometry; +import org.biojava.nbio.structure.symmetry.core.SymmetryPerceptionMethod; +import org.biojava.nbio.structure.symmetry.jmolScript.JmolSymmetryScriptGeneratorDn; +import org.junit.Before; +import org.junit.Test; + +/** + * + * @author Spencer Bliven + */ +public class TestJmolSymmetryScriptGenerator { + @Before + public void setUp() { + } + + @Test + public void testPolygon() throws IOException, StructureException { + Structure struc = StructureIO.getStructure("4hhb"); + QuatSymmetryParameters sp = new QuatSymmetryParameters(); + SubunitClustererParameters cp = new SubunitClustererParameters(); + + QuatSymmetryResults results = QuatSymmetryDetector.calcGlobalSymmetry(struc, sp, cp); + RotationAxisAligner axis = new RotationAxisAligner(results); + JmolSymmetryScriptGeneratorDn gen = new JmolSymmetryScriptGeneratorDn(axis, "D3"); + + String poly = gen.drawPolyhedron(); + String expected = "draw polyhedronD30 line{30.02,-39.95,0.59}{29.24,-0.53,40.00}{30.02,38.89,0.59}{30.80,-0.53,-38.82}{30.02,-39.95,0.59}{-30.00,-39.95,-0.60}{-30.79,-0.53,38.81}{-30.00,38.89,-0.60}{-29.22,-0.53,-40.01}{-30.00,-39.95,-0.60}width 0.45 color [x42ffd9] off;draw polyhedronD31 line{29.24,-0.53,40.00}{-30.79,-0.53,38.81}width 0.45 color [x42ffd9] off;draw polyhedronD32 line{30.02,38.89,0.59}{-30.00,38.89,-0.60}width 0.45 color [x42ffd9] off;draw polyhedronD33 line{30.80,-0.53,-38.82}{-29.22,-0.53,-40.01}width 0.45 color [x42ffd9] off;"; + assertEquals(expected, poly); + } +} \ No newline at end of file From 6a10ba505aadf845d0c7a9eec8fed85f81f783e3 Mon Sep 17 00:00:00 2001 From: Spencer Bliven Date: Mon, 1 Mar 2021 17:39:02 +0100 Subject: [PATCH 278/821] Test that fetching structures by SCOP domain works. --- .../java/org/biojava/nbio/structure/TestAtomCache.java | 9 +++++++++ 1 file changed, 9 insertions(+) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java index bb9ec5ba2a..ab7988ae3f 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestAtomCache.java @@ -221,6 +221,15 @@ public void testFetchObsolete() throws IOException, StructureException { } + @Test + public void testGetScopDomain() throws IOException, StructureException { + String name = "d2gs2a_"; + + Structure s = cache.getStructure(name); + assertNotNull("Failed to fetch structure from SCOP ID", s); + assertEquals("2gs2.A", s.getName()); + } + @Test public void testSettingFileParsingType(){ AtomCache cache = new AtomCache(); From 55b61461d3ddbc449c3ca5ecbbccc9ef97f2c393 Mon Sep 17 00:00:00 2001 From: Spencer Bliven Date: Mon, 1 Mar 2021 17:53:50 +0100 Subject: [PATCH 279/821] Fix compilation issues. These seem to be regularly deleted by IDEs running on different JDKs. If you see a warning, please find the correct syntax to silence it rather than deleting the cast. --- .../biojava/nbio/structure/chem/ZipChemCompProvider.java | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ZipChemCompProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ZipChemCompProvider.java index 34d7eea4db..5888213c5b 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ZipChemCompProvider.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ZipChemCompProvider.java @@ -206,7 +206,8 @@ private synchronized ChemComp getFromZip(String recordName) { final String filename = "chemcomp/" + recordName + ".cif.gz"; // try with resources block to read from the filesystem. - try (FileSystem fs = FileSystems.newFileSystem(m_zipFile, null)) { + // Don't remove the (ClassLoader) cast! It is required for openjdk 11. + try (FileSystem fs = FileSystems.newFileSystem(m_zipFile, (ClassLoader)null)) { Path cif = fs.getPath(filename); if (Files.exists(cif)) { @@ -255,7 +256,8 @@ private synchronized boolean addToZipFileSystem(Path zipFile, File[] files, Path */ // Copy in each file. - try (FileSystem zipfs = FileSystems.newFileSystem(zipFile, null)) { + // Don't remove the (ClassLoader) cast! It is required for openjdk 11. + try (FileSystem zipfs = FileSystems.newFileSystem(zipFile, (ClassLoader)null)) { Files.createDirectories(pathWithinArchive); for (File f : files) { if (!f.isDirectory() && f.exists()) { From b8d7edd62a3b8ed5b366844da66f3f2d5865441b Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Tue, 2 Mar 2021 10:37:09 -0800 Subject: [PATCH 280/821] [maven-release-plugin] prepare release biojava-6.0.0-alpha1 --- biojava-aa-prop/pom.xml | 6 +++--- biojava-alignment/pom.xml | 4 ++-- biojava-core/pom.xml | 2 +- biojava-genome/pom.xml | 6 +++--- biojava-integrationtest/pom.xml | 4 ++-- biojava-modfinder/pom.xml | 4 ++-- biojava-ontology/pom.xml | 2 +- biojava-protein-disorder/pom.xml | 4 ++-- biojava-structure-gui/pom.xml | 6 +++--- biojava-structure/pom.xml | 6 +++--- biojava-survival/pom.xml | 2 +- biojava-ws/pom.xml | 4 ++-- pom.xml | 4 ++-- 13 files changed, 27 insertions(+), 27 deletions(-) diff --git a/biojava-aa-prop/pom.xml b/biojava-aa-prop/pom.xml index 78344622b1..7ad442f3b9 100644 --- a/biojava-aa-prop/pom.xml +++ b/biojava-aa-prop/pom.xml @@ -2,7 +2,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 4.0.0 biojava-aa-prop @@ -70,12 +70,12 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha1 org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha1 diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index a22b560d19..5c45f050df 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha1 compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 6cc9c6c9af..ee5b63903a 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index c4d667cf50..84017f41f8 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha1 compile org.biojava biojava-alignment - 6.0.0-SNAPSHOT + 6.0.0-alpha1 compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index 0bd381f989..ad8bccc314 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha1 diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index 4df1148dee..130a9a8e8b 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha1 jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index 03787e7d7a..92a8733da7 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index 9153de3e05..103e19986c 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha1 diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index 154f7c229d..56087dedb3 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha1 compile org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha1 compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index 87b34d4dcb..8e7cfa717a 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 6.0.0-SNAPSHOT + 6.0.0-alpha1 compile org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha1 compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index 8774d85478..f579e85eb5 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index 65b13c6730..628f4782e4 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha1 biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha1 compile diff --git a/pom.xml b/pom.xml index afee698d7b..48009bd348 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 6.0.0-SNAPSHOT + 6.0.0-alpha1 biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -51,7 +51,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - HEAD + biojava-6.0.0-alpha1 diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index 5c45f050df..a22b560d19 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha1 + 6.0.0-SNAPSHOT biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 6.0.0-alpha1 + 6.0.0-SNAPSHOT compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index ee5b63903a..6cc9c6c9af 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha1 + 6.0.0-SNAPSHOT 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index 84017f41f8..c4d667cf50 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha1 + 6.0.0-SNAPSHOT 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 6.0.0-alpha1 + 6.0.0-SNAPSHOT compile org.biojava biojava-alignment - 6.0.0-alpha1 + 6.0.0-SNAPSHOT compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index ad8bccc314..0bd381f989 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha1 + 6.0.0-SNAPSHOT biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 6.0.0-alpha1 + 6.0.0-SNAPSHOT diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index 130a9a8e8b..4df1148dee 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha1 + 6.0.0-SNAPSHOT biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 6.0.0-alpha1 + 6.0.0-SNAPSHOT jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index 92a8733da7..03787e7d7a 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-alpha1 + 6.0.0-SNAPSHOT biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index 103e19986c..9153de3e05 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha1 + 6.0.0-SNAPSHOT biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 6.0.0-alpha1 + 6.0.0-SNAPSHOT diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index 56087dedb3..154f7c229d 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha1 + 6.0.0-SNAPSHOT 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 6.0.0-alpha1 + 6.0.0-SNAPSHOT compile org.biojava biojava-core - 6.0.0-alpha1 + 6.0.0-SNAPSHOT compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index 8e7cfa717a..87b34d4dcb 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha1 + 6.0.0-SNAPSHOT biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 6.0.0-alpha1 + 6.0.0-SNAPSHOT compile org.biojava biojava-core - 6.0.0-alpha1 + 6.0.0-SNAPSHOT compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index f579e85eb5..8774d85478 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-alpha1 + 6.0.0-SNAPSHOT biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index 628f4782e4..65b13c6730 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha1 + 6.0.0-SNAPSHOT biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 6.0.0-alpha1 + 6.0.0-SNAPSHOT compile diff --git a/pom.xml b/pom.xml index 48009bd348..afee698d7b 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 6.0.0-alpha1 + 6.0.0-SNAPSHOT biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -51,7 +51,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - biojava-6.0.0-alpha1 + HEAD forked-path - - true - -Pgpg-release + + false + @@ -339,35 +339,6 @@ - - - org.sonatype.plugins - nexus-staging-maven-plugin - 1.6.8 - true - - ossrh - https://oss.sonatype.org/ - true - - - - - - - - - - - - - - - - - - - org.apache.maven.plugins @@ -379,7 +350,6 @@ - org.apache.maven.plugins maven-jar-plugin @@ -403,7 +373,6 @@ - org.codehaus.mojo findbugs-maven-plugin @@ -418,49 +387,6 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - @@ -471,8 +397,6 @@ - - @@ -589,12 +513,96 @@ + + + + + ossrh + https://oss.sonatype.org/content/repositories/snapshots + + + ossrh + https://oss.sonatype.org/service/local/staging/deploy/maven2/ + + + + + release + + + + + + org.sonatype.plugins + nexus-staging-maven-plugin + 1.6.8 + true + + ossrh + https://oss.sonatype.org/ + true + + + + + + org.apache.maven.plugins + maven-gpg-plugin + 1.6 + + + sign-artifacts + verify + + sign + + + + + + + + org.apache.maven.plugins + maven-source-plugin + 3.2.0 + + + attach-sources + + jar-no-fork + + + + + + + + org.apache.maven.plugins + maven-javadoc-plugin + 3.2.0 + + + attach-javadocs + + jar + + + + + + + + + codesigning @@ -636,35 +644,6 @@ - - - - - - - release-sign-artifacts - - - performRelease - true - - - - - - org.apache.maven.plugins - maven-gpg-plugin - 1.6 - - - sign-artifacts - verify - - sign - - - - From 71b02ebc68a40c605fdd5b8d15ce1e65cce45e7e Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Wed, 3 Mar 2021 22:14:53 -0800 Subject: [PATCH 283/821] Adding some gpg config that works in other projects --- pom.xml | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/pom.xml b/pom.xml index 039670095e..d1940f9add 100644 --- a/pom.xml +++ b/pom.xml @@ -561,6 +561,13 @@ sign + + + + --pinentry-mode + loopback + + From fce9a51f295673968ae23cd2e9d21eb94f64d706 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Wed, 3 Mar 2021 22:54:30 -0800 Subject: [PATCH 284/821] Can't test relase:perform without pushing --- pom.xml | 3 --- 1 file changed, 3 deletions(-) diff --git a/pom.xml b/pom.xml index d1940f9add..6d307acc49 100644 --- a/pom.xml +++ b/pom.xml @@ -218,9 +218,6 @@ forked-path - - false - From 58eb57015d303d980d07b4c66a8a79d80aea3b57 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Thu, 4 Mar 2021 17:06:51 -0800 Subject: [PATCH 285/821] ChemComp#monNstdParentCompId now returns null instead of empty String (#921) --- .../src/main/java/org/biojava/nbio/structure/chem/ChemComp.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java index 76043374fc..0323e82489 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java @@ -149,7 +149,7 @@ public String getMonNstdParentCompId() { } public void setMonNstdParentCompId(String monNstdParentCompId) { - this.monNstdParentCompId = monNstdParentCompId; + this.monNstdParentCompId = monNstdParentCompId.isEmpty() ? null : monNstdParentCompId; setStandardFlag(); } From 4dcc024c9de0d6c85701186bf8557a47e408735a Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Thu, 4 Mar 2021 17:25:26 -0800 Subject: [PATCH 286/821] null check --- .../src/main/java/org/biojava/nbio/structure/chem/ChemComp.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java index 0323e82489..cb33e369b3 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/chem/ChemComp.java @@ -149,7 +149,7 @@ public String getMonNstdParentCompId() { } public void setMonNstdParentCompId(String monNstdParentCompId) { - this.monNstdParentCompId = monNstdParentCompId.isEmpty() ? null : monNstdParentCompId; + this.monNstdParentCompId = (monNstdParentCompId == null || monNstdParentCompId.isEmpty()) ? null : monNstdParentCompId; setStandardFlag(); } From c9f58cec9d661672c10b0c08aa2c618bc90caf44 Mon Sep 17 00:00:00 2001 From: Jose Manuel Duarte Date: Thu, 4 Mar 2021 22:01:44 -0800 Subject: [PATCH 287/821] [maven-release-plugin] prepare release biojava-6.0.0-alpha2 --- biojava-aa-prop/pom.xml | 6 +++--- biojava-alignment/pom.xml | 4 ++-- biojava-core/pom.xml | 2 +- biojava-genome/pom.xml | 6 +++--- biojava-integrationtest/pom.xml | 4 ++-- biojava-modfinder/pom.xml | 4 ++-- biojava-ontology/pom.xml | 2 +- biojava-protein-disorder/pom.xml | 4 ++-- biojava-structure-gui/pom.xml | 6 +++--- biojava-structure/pom.xml | 6 +++--- biojava-survival/pom.xml | 2 +- biojava-ws/pom.xml | 4 ++-- pom.xml | 4 ++-- 13 files changed, 27 insertions(+), 27 deletions(-) diff --git a/biojava-aa-prop/pom.xml b/biojava-aa-prop/pom.xml index 78344622b1..698b5ad850 100644 --- a/biojava-aa-prop/pom.xml +++ b/biojava-aa-prop/pom.xml @@ -2,7 +2,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 4.0.0 biojava-aa-prop @@ -70,12 +70,12 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha2 org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha2 diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index a22b560d19..f6e899ebd5 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha2 compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 6cc9c6c9af..f0c4a02483 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index c4d667cf50..fbf64183da 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha2 compile org.biojava biojava-alignment - 6.0.0-SNAPSHOT + 6.0.0-alpha2 compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index 0bd381f989..9630da7a40 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha2 diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index 4df1148dee..a80d79fa8c 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha2 jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index 03787e7d7a..ff59bfea06 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index 9153de3e05..ac7c1cb0a4 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha2 diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index 154f7c229d..5f78ed2113 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha2 compile org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha2 compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index 87b34d4dcb..1642df61e4 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 6.0.0-SNAPSHOT + 6.0.0-alpha2 compile org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha2 compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index 8774d85478..082f35dc01 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index 65b13c6730..05ea584fc4 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha2 biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha2 compile diff --git a/pom.xml b/pom.xml index 6d307acc49..c8c3d67ebe 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 6.0.0-SNAPSHOT + 6.0.0-alpha2 biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -51,7 +51,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - HEAD + biojava-6.0.0-alpha2 diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index f6e899ebd5..a22b560d19 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha2 + 6.0.0-SNAPSHOT biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 6.0.0-alpha2 + 6.0.0-SNAPSHOT compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index f0c4a02483..6cc9c6c9af 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha2 + 6.0.0-SNAPSHOT 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index fbf64183da..c4d667cf50 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha2 + 6.0.0-SNAPSHOT 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 6.0.0-alpha2 + 6.0.0-SNAPSHOT compile org.biojava biojava-alignment - 6.0.0-alpha2 + 6.0.0-SNAPSHOT compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index 9630da7a40..0bd381f989 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha2 + 6.0.0-SNAPSHOT biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 6.0.0-alpha2 + 6.0.0-SNAPSHOT diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index a80d79fa8c..4df1148dee 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha2 + 6.0.0-SNAPSHOT biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 6.0.0-alpha2 + 6.0.0-SNAPSHOT jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index ff59bfea06..03787e7d7a 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-alpha2 + 6.0.0-SNAPSHOT biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index ac7c1cb0a4..9153de3e05 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha2 + 6.0.0-SNAPSHOT biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 6.0.0-alpha2 + 6.0.0-SNAPSHOT diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index 5f78ed2113..154f7c229d 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha2 + 6.0.0-SNAPSHOT 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 6.0.0-alpha2 + 6.0.0-SNAPSHOT compile org.biojava biojava-core - 6.0.0-alpha2 + 6.0.0-SNAPSHOT compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index 1642df61e4..87b34d4dcb 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha2 + 6.0.0-SNAPSHOT biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 6.0.0-alpha2 + 6.0.0-SNAPSHOT compile org.biojava biojava-core - 6.0.0-alpha2 + 6.0.0-SNAPSHOT compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index 082f35dc01..8774d85478 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-alpha2 + 6.0.0-SNAPSHOT biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index 05ea584fc4..65b13c6730 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha2 + 6.0.0-SNAPSHOT biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 6.0.0-alpha2 + 6.0.0-SNAPSHOT compile diff --git a/pom.xml b/pom.xml index c8c3d67ebe..6d307acc49 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 6.0.0-alpha2 + 6.0.0-SNAPSHOT biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -51,7 +51,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - biojava-6.0.0-alpha2 + HEAD diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index a22b560d19..108cdee778 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha3 biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha3 compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 6cc9c6c9af..7b38b5bddd 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha3 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index c4d667cf50..f23c858b42 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha3 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha3 compile org.biojava biojava-alignment - 6.0.0-SNAPSHOT + 6.0.0-alpha3 compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index 0bd381f989..404c462ad6 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha3 biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha3 diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index 4df1148dee..67f3440a0a 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha3 biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha3 jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index 03787e7d7a..414e38f0b0 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha3 biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index 9153de3e05..06d6ff0013 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha3 biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha3 diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index 154f7c229d..f09fb9ae90 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha3 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha3 compile org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha3 compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index 87b34d4dcb..2307cd5f17 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha3 biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 6.0.0-SNAPSHOT + 6.0.0-alpha3 compile org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha3 compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index 8774d85478..d13042e8dc 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha3 biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index 65b13c6730..e848c5e84f 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha3 biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha3 compile diff --git a/pom.xml b/pom.xml index 6d307acc49..c6b236e951 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 6.0.0-SNAPSHOT + 6.0.0-alpha3 biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -51,7 +51,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - HEAD + biojava-6.0.0-alpha3 diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index 108cdee778..a22b560d19 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha3 + 6.0.0-SNAPSHOT biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 6.0.0-alpha3 + 6.0.0-SNAPSHOT compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 7b38b5bddd..6cc9c6c9af 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha3 + 6.0.0-SNAPSHOT 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index f23c858b42..c4d667cf50 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha3 + 6.0.0-SNAPSHOT 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 6.0.0-alpha3 + 6.0.0-SNAPSHOT compile org.biojava biojava-alignment - 6.0.0-alpha3 + 6.0.0-SNAPSHOT compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index 404c462ad6..0bd381f989 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha3 + 6.0.0-SNAPSHOT biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 6.0.0-alpha3 + 6.0.0-SNAPSHOT diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index 67f3440a0a..4df1148dee 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha3 + 6.0.0-SNAPSHOT biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 6.0.0-alpha3 + 6.0.0-SNAPSHOT jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index 414e38f0b0..03787e7d7a 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-alpha3 + 6.0.0-SNAPSHOT biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index 06d6ff0013..9153de3e05 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha3 + 6.0.0-SNAPSHOT biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 6.0.0-alpha3 + 6.0.0-SNAPSHOT diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index f09fb9ae90..154f7c229d 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha3 + 6.0.0-SNAPSHOT 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 6.0.0-alpha3 + 6.0.0-SNAPSHOT compile org.biojava biojava-core - 6.0.0-alpha3 + 6.0.0-SNAPSHOT compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index 2307cd5f17..87b34d4dcb 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha3 + 6.0.0-SNAPSHOT biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 6.0.0-alpha3 + 6.0.0-SNAPSHOT compile org.biojava biojava-core - 6.0.0-alpha3 + 6.0.0-SNAPSHOT compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index d13042e8dc..8774d85478 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-alpha3 + 6.0.0-SNAPSHOT biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index e848c5e84f..65b13c6730 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha3 + 6.0.0-SNAPSHOT biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 6.0.0-alpha3 + 6.0.0-SNAPSHOT compile diff --git a/pom.xml b/pom.xml index c6b236e951..6d307acc49 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 6.0.0-alpha3 + 6.0.0-SNAPSHOT biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -51,7 +51,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - biojava-6.0.0-alpha3 + HEAD diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index a22b560d19..e23155c7ba 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha4 biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha4 compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 6cc9c6c9af..0413c71f63 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha4 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index 2fb8e78426..311bb549c7 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha4 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha4 compile org.biojava biojava-alignment - 6.0.0-SNAPSHOT + 6.0.0-alpha4 compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index 0bd381f989..0070072c52 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha4 biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha4 diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index 4df1148dee..11d57a9fce 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha4 biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha4 jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index 03787e7d7a..4542ede6e2 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha4 biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index 9153de3e05..dfe2fbd64e 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha4 biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha4 diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index 154f7c229d..51efcc3262 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha4 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 6.0.0-SNAPSHOT + 6.0.0-alpha4 compile org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha4 compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index 87b34d4dcb..fa75d6e5fa 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha4 biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 6.0.0-SNAPSHOT + 6.0.0-alpha4 compile org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha4 compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index 8774d85478..6f1e37a73e 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha4 biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index 65b13c6730..1b3941438f 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-SNAPSHOT + 6.0.0-alpha4 biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 6.0.0-SNAPSHOT + 6.0.0-alpha4 compile diff --git a/pom.xml b/pom.xml index 6d307acc49..90a22f63b7 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 6.0.0-SNAPSHOT + 6.0.0-alpha4 biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -51,7 +51,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - HEAD + biojava-6.0.0-alpha4 diff --git a/biojava-alignment/pom.xml b/biojava-alignment/pom.xml index e23155c7ba..a22b560d19 100644 --- a/biojava-alignment/pom.xml +++ b/biojava-alignment/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha4 + 6.0.0-SNAPSHOT biojava-alignment biojava-alignment @@ -47,7 +47,7 @@ org.biojava biojava-core - 6.0.0-alpha4 + 6.0.0-SNAPSHOT compile diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 0413c71f63..6cc9c6c9af 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha4 + 6.0.0-SNAPSHOT 4.0.0 biojava-core diff --git a/biojava-genome/pom.xml b/biojava-genome/pom.xml index 311bb549c7..2fb8e78426 100644 --- a/biojava-genome/pom.xml +++ b/biojava-genome/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha4 + 6.0.0-SNAPSHOT 4.0.0 biojava-genome @@ -85,13 +85,13 @@ org.biojava biojava-core - 6.0.0-alpha4 + 6.0.0-SNAPSHOT compile org.biojava biojava-alignment - 6.0.0-alpha4 + 6.0.0-SNAPSHOT compile diff --git a/biojava-integrationtest/pom.xml b/biojava-integrationtest/pom.xml index 0070072c52..0bd381f989 100644 --- a/biojava-integrationtest/pom.xml +++ b/biojava-integrationtest/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha4 + 6.0.0-SNAPSHOT biojava-integrationtest jar @@ -28,7 +28,7 @@ org.biojava biojava-structure - 6.0.0-alpha4 + 6.0.0-SNAPSHOT diff --git a/biojava-modfinder/pom.xml b/biojava-modfinder/pom.xml index 11d57a9fce..4df1148dee 100644 --- a/biojava-modfinder/pom.xml +++ b/biojava-modfinder/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha4 + 6.0.0-SNAPSHOT biojava-modfinder biojava-modfinder @@ -31,7 +31,7 @@ org.biojava biojava-structure - 6.0.0-alpha4 + 6.0.0-SNAPSHOT jar compile diff --git a/biojava-ontology/pom.xml b/biojava-ontology/pom.xml index 4542ede6e2..03787e7d7a 100644 --- a/biojava-ontology/pom.xml +++ b/biojava-ontology/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-alpha4 + 6.0.0-SNAPSHOT biojava-ontology diff --git a/biojava-protein-disorder/pom.xml b/biojava-protein-disorder/pom.xml index dfe2fbd64e..9153de3e05 100644 --- a/biojava-protein-disorder/pom.xml +++ b/biojava-protein-disorder/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha4 + 6.0.0-SNAPSHOT biojava-protein-disorder jar @@ -63,7 +63,7 @@ org.biojava biojava-core - 6.0.0-alpha4 + 6.0.0-SNAPSHOT diff --git a/biojava-structure-gui/pom.xml b/biojava-structure-gui/pom.xml index 51efcc3262..154f7c229d 100644 --- a/biojava-structure-gui/pom.xml +++ b/biojava-structure-gui/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha4 + 6.0.0-SNAPSHOT 4.0.0 biojava-structure-gui @@ -27,13 +27,13 @@ org.biojava biojava-structure - 6.0.0-alpha4 + 6.0.0-SNAPSHOT compile org.biojava biojava-core - 6.0.0-alpha4 + 6.0.0-SNAPSHOT compile diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index fa75d6e5fa..87b34d4dcb 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -4,7 +4,7 @@ biojava org.biojava - 6.0.0-alpha4 + 6.0.0-SNAPSHOT biojava-structure biojava-structure @@ -44,13 +44,13 @@ org.biojava biojava-alignment - 6.0.0-alpha4 + 6.0.0-SNAPSHOT compile org.biojava biojava-core - 6.0.0-alpha4 + 6.0.0-SNAPSHOT compile diff --git a/biojava-survival/pom.xml b/biojava-survival/pom.xml index 6f1e37a73e..8774d85478 100644 --- a/biojava-survival/pom.xml +++ b/biojava-survival/pom.xml @@ -4,7 +4,7 @@ org.biojava biojava - 6.0.0-alpha4 + 6.0.0-SNAPSHOT biojava-survival diff --git a/biojava-ws/pom.xml b/biojava-ws/pom.xml index 1b3941438f..65b13c6730 100644 --- a/biojava-ws/pom.xml +++ b/biojava-ws/pom.xml @@ -3,7 +3,7 @@ biojava org.biojava - 6.0.0-alpha4 + 6.0.0-SNAPSHOT biojava-ws biojava-ws @@ -19,7 +19,7 @@ org.biojava biojava-core - 6.0.0-alpha4 + 6.0.0-SNAPSHOT compile diff --git a/pom.xml b/pom.xml index 90a22f63b7..6d307acc49 100644 --- a/pom.xml +++ b/pom.xml @@ -12,7 +12,7 @@ org.biojava biojava pom - 6.0.0-alpha4 + 6.0.0-SNAPSHOT biojava BioJava is an open-source project dedicated to providing a Java framework for processing biological data. It provides analytical and statistical routines, parsers for common file formats and allows the @@ -51,7 +51,7 @@ scm:git:git@github.com:biojava/biojava.git https://github.com/biojava/biojava - biojava-6.0.0-alpha4 + HEAD UTF-8 512M - 1.0.9 + 1.0.10 1.7.30 2.14.0 ciftools-java-jdk8 From eac22bc94bf684d92363dd0bff5ea705845af733 Mon Sep 17 00:00:00 2001 From: Richard Adams Date: Fri, 2 Jul 2021 17:05:20 +0100 Subject: [PATCH 325/821] test getTrace() to improve test coverage --- .../nbio/core/sequence/io/ABITracerTest.java | 13 ++++++++++++- 1 file changed, 12 insertions(+), 1 deletion(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java index 89aef23cbb..df77b7c00a 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java @@ -21,9 +21,14 @@ package org.biojava.nbio.core.sequence.io; +import static org.junit.Assert.assertEquals; + import java.awt.image.BufferedImage; import java.io.File; import java.net.URL; +import java.util.Arrays; + +import org.biojava.nbio.core.exceptions.CompoundNotFoundException; import org.junit.*; /** @@ -79,7 +84,8 @@ public void testLocal() throws Exception { Assert.assertNotNull(tracer); //Test length of tracer for file 3730.ab1 - Assert.assertEquals(16302, tracer.getTraceLength()); + final int EXPECTED_TRACE_LENGTH = 16302; + Assert.assertEquals(EXPECTED_TRACE_LENGTH, tracer.getTraceLength()); //Test length of sequence for file 3730.ab1 Assert.assertEquals(1165, tracer.getSequenceLength()); @@ -92,5 +98,10 @@ public void testLocal() throws Exception { //Test image of tracer for file 3730.ab1 BufferedImage image = tracer.getImage(100,100); Assert.assertNotNull(image); + + Assert.assertThrows(CompoundNotFoundException.class, ()->tracer.getTrace("D")); + for (String base: Arrays.asList(new String []{"A","T","C","G"})){ + assertEquals(EXPECTED_TRACE_LENGTH, tracer.getTrace(base).length); + } } } From d8d5a7b4519eef2807948733912c08fc159526ad Mon Sep 17 00:00:00 2001 From: Richard Adams Date: Fri, 2 Jul 2021 17:09:26 +0100 Subject: [PATCH 326/821] organise imports --- .../nbio/core/sequence/io/ABITracerTest.java | 25 +++++++++++-------- 1 file changed, 14 insertions(+), 11 deletions(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java index df77b7c00a..6d42ba48fc 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java @@ -21,7 +21,10 @@ package org.biojava.nbio.core.sequence.io; +import static org.junit.Assert.assertArrayEquals; import static org.junit.Assert.assertEquals; +import static org.junit.Assert.assertNotNull; +import static org.junit.Assert.assertTrue; import java.awt.image.BufferedImage; import java.io.File; @@ -66,9 +69,9 @@ public void tearDown() { @Test public void testURL() throws Exception { URL resource = this.getClass().getResource("/3730.ab1"); - Assert.assertNotNull(resource); + assertNotNull(resource); ABITrace tracer = new ABITrace(resource); - Assert.assertNotNull(tracer); + assertNotNull(tracer); } /** @@ -77,27 +80,27 @@ public void testURL() throws Exception { @Test public void testLocal() throws Exception { URL resource = this.getClass().getResource("/3730.ab1"); - Assert.assertNotNull(resource); + assertNotNull(resource); File file = new File(resource.toURI()); - Assert.assertNotNull(file); + assertNotNull(file); ABITrace tracer = new ABITrace(file); - Assert.assertNotNull(tracer); + assertNotNull(tracer); //Test length of tracer for file 3730.ab1 final int EXPECTED_TRACE_LENGTH = 16302; - Assert.assertEquals(EXPECTED_TRACE_LENGTH, tracer.getTraceLength()); + assertEquals(EXPECTED_TRACE_LENGTH, tracer.getTraceLength()); //Test length of sequence for file 3730.ab1 - Assert.assertEquals(1165, tracer.getSequenceLength()); + assertEquals(1165, tracer.getSequenceLength()); //Test sequence of tracer for file 3730.ab1 - Assert.assertTrue(sequence.equals(tracer.getSequence().getSequenceAsString())); + assertTrue(sequence.equals(tracer.getSequence().getSequenceAsString())); //Test array that represents the quality of tracer for file 3730.ab1 - Assert.assertArrayEquals(qual, tracer.getQcalls()); + assertArrayEquals(qual, tracer.getQcalls()); //Test array that represents the baseline of tracer for file 3730.ab1 - Assert.assertArrayEquals(base, tracer.getBasecalls()); + assertArrayEquals(base, tracer.getBasecalls()); //Test image of tracer for file 3730.ab1 BufferedImage image = tracer.getImage(100,100); - Assert.assertNotNull(image); + assertNotNull(image); Assert.assertThrows(CompoundNotFoundException.class, ()->tracer.getTrace("D")); for (String base: Arrays.asList(new String []{"A","T","C","G"})){ From 281e915d59aa359fdc3cad36d49b2fe094d945b7 Mon Sep 17 00:00:00 2001 From: Richard Adams Date: Sun, 4 Jul 2021 00:19:25 +0100 Subject: [PATCH 327/821] initial addition of junit 5 --- biojava-core/pom.xml | 12 ++++++ .../nbio/core/TestAmbiguityCompoundSet.java | 14 ++++--- pom.xml | 42 ++++++++++++++++--- 3 files changed, 58 insertions(+), 10 deletions(-) diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 6cc9c6c9af..4637ab6534 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -44,6 +44,18 @@ junit test + + org.junit.jupiter + junit-jupiter-api + + + org.junit.jupiter + junit-jupiter-engine + + + org.junit.vintage + junit-vintage-engine + org.slf4j diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java b/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java index 56abb5d802..6951fbc4d4 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java @@ -30,8 +30,10 @@ import org.biojava.nbio.core.sequence.template.CompoundSet; import org.biojava.nbio.core.sequence.template.Sequence; import org.biojava.nbio.core.sequence.transcription.DNAToRNATranslator; -import org.junit.Assert; -import org.junit.Test; +import org.junit.jupiter.api.Test; +import org.junit.jupiter.api.DisplayName; + +import static org.junit.jupiter.api.Assertions.assertEquals; /** * A Test case for https://github.com/biojava/biojava/issues/344 @@ -39,9 +41,11 @@ * Created by andreas on 12/4/15. */ + public class TestAmbiguityCompoundSet { @Test + @DisplayName("Convert DNA to RNA") public void testCompountSet() throws Exception { CompoundSet dnaSet = AmbiguityDNACompoundSet.getDNACompoundSet(); @@ -49,13 +53,13 @@ public void testCompountSet() throws Exception { DNASequence dna = new DNASequence("AGTCS", dnaSet); - Assert.assertEquals("AGTCS", dna.toString()); + assertEquals("AGTCS", dna.toString()); RNASequence rna = dna.getRNASequence(); rna = new RNASequence(dna.getSequenceAsString().replaceAll("T", "U"), AmbiguityRNACompoundSet.getRNACompoundSet()); //fails with missing compound S - Assert.assertEquals("AGUCS", rna.toString()); + assertEquals("AGUCS", rna.toString()); /* now, do the translation also using the underlying API (should not be needed for a user) * @@ -65,7 +69,7 @@ public void testCompountSet() throws Exception { Sequence translated = translator.createSequence(dna); - Assert.assertEquals("AGUCS", translated.toString()); + assertEquals("AGUCS", translated.toString()); } diff --git a/pom.xml b/pom.xml index 6e55a71501..d5a7d30e65 100644 --- a/pom.xml +++ b/pom.xml @@ -239,6 +239,24 @@ + + org.apache.maven.plugins + maven-surefire-plugin + 3.0.0-M5 + + + true + true + true + true + + + true + true + true + + + org.apache.maven.plugins maven-shade-plugin @@ -313,11 +331,7 @@ maven-install-plugin 3.0.0-M1 - - org.apache.maven.plugins - maven-surefire-plugin - 3.0.0-M5 - + org.apache.maven.plugins maven-site-plugin @@ -404,6 +418,24 @@ 4.13.2 test + + org.junit.vintage + junit-vintage-engine + 5.7.2 + test + + + org.junit.jupiter + junit-jupiter-api + 5.7.2 + test + + + org.junit.jupiter + junit-jupiter-engine + 5.7.2 + test + org.slf4j slf4j-api From 30cd5ef614166827ce672fcac32a35ecdbc7f4ba Mon Sep 17 00:00:00 2001 From: Richard Adams Date: Sun, 4 Jul 2021 10:29:24 +0100 Subject: [PATCH 328/821] refactor 2 tests to use junit5 features --- biojava-core/pom.xml | 25 ++++---- .../nbio/core/TestAmbiguityCompoundSet.java | 3 +- .../nbio/core/sequence/io/ABITracerTest.java | 60 ++++++++++--------- pom.xml | 52 +++++++--------- 4 files changed, 64 insertions(+), 76 deletions(-) diff --git a/biojava-core/pom.xml b/biojava-core/pom.xml index 4637ab6534..b61e45194a 100644 --- a/biojava-core/pom.xml +++ b/biojava-core/pom.xml @@ -42,20 +42,19 @@ junit junit - test - - org.junit.jupiter - junit-jupiter-api - - - org.junit.jupiter - junit-jupiter-engine - - org.junit.vintage - junit-vintage-engine - + org.junit.jupiter + junit-jupiter-engine + + + org.junit.jupiter + junit-jupiter-params + + + org.junit.vintage + junit-vintage-engine + org.slf4j @@ -76,5 +75,3 @@ - - diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java b/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java index 6951fbc4d4..9fad78d7b0 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java @@ -45,18 +45,17 @@ public class TestAmbiguityCompoundSet { @Test - @DisplayName("Convert DNA to RNA") public void testCompountSet() throws Exception { CompoundSet dnaSet = AmbiguityDNACompoundSet.getDNACompoundSet(); CompoundSet rnaSet = AmbiguityRNACompoundSet.getRNACompoundSet(); + DNASequence dna = new DNASequence("AGTCS", dnaSet); assertEquals("AGTCS", dna.toString()); RNASequence rna = dna.getRNASequence(); - rna = new RNASequence(dna.getSequenceAsString().replaceAll("T", "U"), AmbiguityRNACompoundSet.getRNACompoundSet()); //fails with missing compound S assertEquals("AGUCS", rna.toString()); diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java index 6d42ba48fc..dce9cc7b58 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java @@ -21,10 +21,11 @@ package org.biojava.nbio.core.sequence.io; -import static org.junit.Assert.assertArrayEquals; -import static org.junit.Assert.assertEquals; -import static org.junit.Assert.assertNotNull; -import static org.junit.Assert.assertTrue; + +import static org.junit.jupiter.api.Assertions.*; +import org.junit.jupiter.api.*; +import org.junit.jupiter.params.provider.ValueSource; +import org.junit.jupiter.params.ParameterizedTest; import java.awt.image.BufferedImage; import java.io.File; @@ -32,35 +33,31 @@ import java.util.Arrays; import org.biojava.nbio.core.exceptions.CompoundNotFoundException; -import org.junit.*; /** * Test file 3730.ab1 is from https://github.com/biopython/biopython/blob/master/Tests/Abi/3730.ab1 * The test data for comparing the results from ABITrace.java for file 3730.ab1 is from https://github.com/biopython/biopython/blob/master/Tests/Abi/test_data */ public class ABITracerTest { + private String sequence = "GGGCGAGCKYYAYATTTTGGCAAGAATTGAGCTCTATGGCCACAACCATGGTGAGCAAGGGCGAGGAGGATAACATGGCCATCATCAAGGAGTTCATGCGCTTCAAGGTGCACATGGAGGGCTCCGTGAACGGCCACGAGTTCGAGATCGAGGGCGAGGGCGAGGGCCGCCCCTACGAGGGCACCCAGACCGCCAAGCTGAAGGTGACCAAGGGTGGCCCCCTGCCCTTCGCCTGGGACATCCTGTCCCCTCAGTTCATGTACGGCTCCAAGGCCTACGTGAAGCACCCCGCCGACATCCCCGACTACTTGAAGCTGTCCTTCCCCGAGGGCTTCAAGTGGGAGCGCGTGATGAACTTCGAGGACGGCGGCGTGGTGACCGTGACCCAGGACTCCTCCCTGCAGGACGGCGAGTTCATCTACAAGGTGAAGCTGCGCGGCACCAACTTCCCCTCCGACGGCCCCGTAATGCAGAAGAAGACCATGGGCTGGGAGGCCTCCTCCGAGCGGATGTACCCCGAGGACGGCGCCCTGAAGGGCGAGATCAAGCAGAGGCTGAAGCTGAAGGACGGCGGCCACTACGACGCTGAGGTCAAGACCACCTACAAGGCCAAGAAGCCCGTGCAGCTGCCCGGCGCCTACAACGTCAACATCAAGTTGGACATCACCTCCCACAACGAGGACTACACCATCGTGGAACAGTACGAACGCGCCGAGGGCCGCCACTCCACCGGCGGCATGGACGAGCTGTACAAGGGCGGCAGCGGCATGGTGAGCAAGGGCGAGGAGCTGTTCACCGGGGTGGTGCCCATCCTGGTCGAGCTGGACGGCGACGTAAACGGCCACAAGTTCAGCGTGTCCGGCGAGGGCGAGGGCGATGCCACCTACGGCAAGCTGACCCTGAAGTTCATCTGCACCACCGGCAAGCTGCCCGTGCCCTGGCCCACCCTCGTGACCACCCTGACCTACGGCGTGCAGTGCTTCAGCCGCTACCCCGACCACATGAAGCAGCACGACTTCTTCAAGTCCGCCATGCCCGAAGGCTACGTCCAGGAGCGCACCATCTTCTTCAAGGACGACGGCAACTACAARACCCGCGCCGAGGTGAARTTCGAGGGCGACACCCTGGTGAACCGCATCGAGCTGAAAGGGGCAYCGCACCTTTC"; private int[] qual = {20, 3, 4, 4, 4, 6, 4, 4, 0, 0, 0, 6, 0, 10, 20, 26, 22, 17, 21, 31, 29, 32, 28, 18, 23, 17, 19, 35, 36, 50, 39, 50, 50, 50, 50, 50, 25, 35, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 35, 39, 33, 20, 35, 31, 50, 50, 50, 50, 50, 50, 50, 50, 50, 31, 50, 35, 31, 23, 28, 31, 21, 43, 39, 35, 24, 30, 26, 35, 31, 50, 50, 50, 50, 50, 50, 50, 50, 50, 39, 31, 24, 39, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 31, 31, 43, 43, 50, 50, 50, 50, 50, 31, 31, 31, 31, 50, 50, 50, 50, 50, 50, 50, 50, 31, 31, 35, 50, 50, 50, 50, 31, 36, 55, 55, 55, 55, 36, 55, 55, 55, 55, 55, 36, 55, 55, 55, 55, 55, 36, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 40, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 36, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 40, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 43, 43, 50, 43, 43, 50, 43, 43, 50, 43, 43, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 43, 43, 50, 43, 43, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 28, 28, 35, 28, 28, 35, 28, 28, 35, 28, 28, 35, 28, 28, 35, 28, 21, 28, 35, 28, 28, 35, 35, 35, 35, 35, 37, 38, 21, 28, 35, 28, 28, 35, 35, 35, 35, 35, 35, 35, 36, 36, 21, 39, 35, 35, 35, 39, 35, 37, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 28, 28, 35, 35, 28, 28, 35, 35, 35, 36, 36, 22, 39, 35, 35, 35, 35, 35, 35, 37, 38, 28, 35, 21, 36, 36, 37, 35, 35, 20, 39, 39, 35, 35, 35, 35, 37, 38, 28, 35, 37, 34, 35, 24, 24, 27, 25, 20, 24, 37, 35, 27, 21, 20, 21, 27, 17, 20, 24, 32, 26, 20, 12, 20, 10, 20, 24, 25, 23, 20, 32, 24, 24, 23, 20, 24, 23, 18, 34, 34, 34, 22, 26, 24, 24, 18, 22, 22, 23, 25, 20, 12, 20, 24, 23, 24, 23, 22, 20, 20, 0, 20, 24, 23, 20, 8, 10, 4, 20, 20, 3, 7, 19, 20, 4, 4, 7, 7, 0, 7, 11, 18, 8, 3, 23, 23, 20, 11, 4, 20, 18, 12, 20, 20, 20, 4, 20, 4, 2, 3, 21, 21, 21, 21, 10, 15, 14, 15, 19, 2, 4, 3, 6, 11, 3, 4, 6, 21, 16, 20, 11, 1, 4, 12, 0, 15, 8, 1, 3, 3, 12, 1, 11, 20, 4}; private int[] base = {2, 13, 38, 51, 67, 78, 92, 118, 138, 162, 181, 191, 210, 222, 239, 253, 266, 280, 288, 304, 317, 333, 347, 359, 375, 386, 394, 406, 418, 433, 444, 457, 472, 482, 496, 506, 519, 529, 544, 557, 569, 579, 590, 601, 614, 626, 638, 649, 663, 673, 686, 706, 715, 731, 740, 753, 765, 777, 787, 799, 813, 826, 838, 854, 863, 876, 892, 901, 913, 929, 937, 948, 960, 970, 981, 993, 1004, 1017, 1034, 1045, 1056, 1068, 1080, 1091, 1103, 1115, 1126, 1138, 1148, 1160, 1177, 1187, 1199, 1211, 1222, 1232, 1243, 1254, 1268, 1279, 1294, 1307, 1319, 1330, 1341, 1352, 1362, 1374, 1388, 1398, 1411, 1422, 1433, 1444, 1456, 1466, 1479, 1497, 1506, 1519, 1531, 1543, 1556, 1567, 1578, 1589, 1604, 1614, 1630, 1641, 1651, 1662, 1675, 1688, 1700, 1711, 1721, 1732, 1748, 1758, 1772, 1784, 1795, 1806, 1820, 1830, 1844, 1855, 1866, 1877, 1892, 1902, 1914, 1926, 1939, 1950, 1965, 1974, 1986, 1999, 2011, 2023, 2037, 2047, 2059, 2072, 2084, 2096, 2107, 2120, 2132, 2144, 2156, 2169, 2180, 2191, 2202, 2217, 2227, 2239, 2251, 2264, 2275, 2286, 2297, 2309, 2321, 2332, 2347, 2358, 2369, 2381, 2394, 2406, 2417, 2429, 2439, 2452, 2465, 2476, 2490, 2501, 2512, 2524, 2536, 2546, 2560, 2570, 2581, 2593, 2605, 2616, 2628, 2640, 2653, 2664, 2676, 2688, 2700, 2712, 2723, 2735, 2748, 2759, 2772, 2784, 2795, 2808, 2820, 2831, 2842, 2854, 2866, 2878, 2888, 2901, 2913, 2927, 2936, 2947, 2958, 2970, 2982, 2994, 3005, 3019, 3030, 3041, 3053, 3064, 3077, 3088, 3099, 3110, 3123, 3135, 3146, 3157, 3168, 3179, 3192, 3203, 3214, 3226, 3238, 3251, 3263, 3275, 3286, 3297, 3308, 3320, 3331, 3344, 3356, 3368, 3380, 3391, 3402, 3415, 3426, 3440, 3451, 3462, 3474, 3485, 3496, 3508, 3520, 3532, 3543, 3556, 3569, 3580, 3593, 3604, 3615, 3626, 3638, 3650, 3661, 3673, 3684, 3698, 3709, 3721, 3732, 3744, 3756, 3767, 3779, 3792, 3803, 3814, 3827, 3838, 3850, 3862, 3873, 3885, 3897, 3909, 3920, 3932, 3943, 3955, 3966, 3980, 3990, 4002, 4014, 4026, 4038, 4050, 4061, 4072, 4083, 4095, 4107, 4119, 4131, 4143, 4156, 4167, 4179, 4191, 4203, 4215, 4227, 4238, 4252, 4262, 4274, 4287, 4298, 4310, 4321, 4333, 4345, 4356, 4370, 4381, 4393, 4406, 4417, 4428, 4440, 4453, 4464, 4477, 4489, 4500, 4513, 4524, 4536, 4548, 4560, 4573, 4583, 4595, 4607, 4620, 4631, 4645, 4655, 4667, 4679, 4690, 4702, 4714, 4728, 4739, 4750, 4762, 4774, 4786, 4798, 4810, 4821, 4833, 4845, 4857, 4869, 4880, 4892, 4905, 4916, 4927, 4940, 4952, 4963, 4977, 4988, 5000, 5012, 5023, 5034, 5045, 5057, 5069, 5081, 5093, 5104, 5115, 5127, 5139, 5151, 5163, 5176, 5188, 5199, 5211, 5223, 5235, 5247, 5259, 5272, 5283, 5296, 5308, 5320, 5331, 5343, 5354, 5366, 5378, 5390, 5402, 5414, 5426, 5438, 5450, 5462, 5474, 5486, 5497, 5510, 5521, 5532, 5544, 5557, 5569, 5581, 5592, 5604, 5617, 5629, 5641, 5652, 5663, 5676, 5687, 5699, 5712, 5724, 5735, 5748, 5760, 5771, 5784, 5794, 5806, 5817, 5829, 5841, 5853, 5866, 5879, 5891, 5903, 5916, 5928, 5941, 5952, 5964, 5976, 5988, 6000, 6012, 6024, 6036, 6048, 6060, 6072, 6085, 6096, 6109, 6121, 6133, 6146, 6157, 6168, 6180, 6192, 6203, 6215, 6227, 6239, 6251, 6265, 6276, 6289, 6302, 6313, 6325, 6337, 6349, 6361, 6374, 6386, 6398, 6410, 6422, 6436, 6448, 6459, 6471, 6483, 6495, 6507, 6520, 6532, 6545, 6555, 6567, 6579, 6591, 6603, 6615, 6627, 6640, 6652, 6664, 6676, 6688, 6700, 6713, 6726, 6738, 6749, 6761, 6774, 6786, 6799, 6811, 6823, 6835, 6848, 6859, 6871, 6883, 6895, 6907, 6920, 6933, 6945, 6956, 6968, 6980, 6992, 7005, 7016, 7030, 7042, 7053, 7066, 7079, 7091, 7104, 7115, 7128, 7140, 7152, 7163, 7175, 7187, 7200, 7212, 7224, 7235, 7248, 7260, 7272, 7285, 7297, 7309, 7321, 7333, 7345, 7358, 7370, 7382, 7394, 7406, 7419, 7431, 7443, 7455, 7468, 7480, 7492, 7505, 7517, 7530, 7542, 7554, 7566, 7578, 7591, 7603, 7615, 7628, 7640, 7653, 7666, 7677, 7690, 7702, 7714, 7727, 7738, 7750, 7762, 7775, 7786, 7799, 7812, 7823, 7836, 7848, 7859, 7871, 7884, 7896, 7909, 7921, 7933, 7946, 7958, 7971, 7984, 7996, 8007, 8019, 8032, 8044, 8056, 8069, 8081, 8094, 8107, 8119, 8131, 8143, 8155, 8167, 8179, 8192, 8205, 8218, 8230, 8244, 8255, 8267, 8279, 8291, 8303, 8315, 8328, 8340, 8353, 8366, 8378, 8392, 8404, 8417, 8431, 8443, 8455, 8467, 8479, 8492, 8504, 8516, 8529, 8543, 8555, 8567, 8580, 8593, 8606, 8619, 8632, 8644, 8658, 8670, 8683, 8695, 8708, 8721, 8733, 8746, 8759, 8771, 8783, 8795, 8808, 8821, 8833, 8845, 8858, 8871, 8885, 8898, 8910, 8923, 8936, 8949, 8960, 8973, 8986, 9000, 9012, 9025, 9038, 9051, 9064, 9076, 9089, 9102, 9114, 9126, 9139, 9151, 9164, 9177, 9191, 9204, 9217, 9230, 9243, 9255, 9268, 9281, 9294, 9307, 9320, 9333, 9345, 9358, 9371, 9384, 9398, 9412, 9424, 9437, 9450, 9462, 9475, 9488, 9501, 9514, 9528, 9542, 9554, 9567, 9581, 9593, 9606, 9619, 9632, 9645, 9658, 9671, 9682, 9695, 9708, 9721, 9735, 9749, 9762, 9776, 9789, 9802, 9815, 9828, 9842, 9855, 9867, 9880, 9893, 9906, 9920, 9933, 9947, 9960, 9974, 9987, 10000, 10014, 10027, 10040, 10054, 10067, 10081, 10095, 10107, 10120, 10134, 10148, 10161, 10175, 10188, 10201, 10214, 10228, 10241, 10254, 10267, 10280, 10294, 10309, 10322, 10335, 10348, 10362, 10374, 10387, 10401, 10415, 10428, 10441, 10455, 10469, 10482, 10497, 10510, 10523, 10537, 10551, 10565, 10579, 10593, 10606, 10621, 10634, 10647, 10661, 10675, 10689, 10704, 10719, 10732, 10746, 10760, 10774, 10788, 10802, 10815, 10829, 10843, 10856, 10871, 10884, 10898, 10913, 10927, 10940, 10955, 10970, 10984, 10999, 11013, 11027, 11042, 11056, 11071, 11086, 11100, 11114, 11128, 11142, 11158, 11171, 11186, 11200, 11213, 11228, 11241, 11255, 11270, 11284, 11299, 11314, 11328, 11342, 11356, 11370, 11385, 11399, 11413, 11429, 11445, 11460, 11474, 11489, 11503, 11518, 11533, 11549, 11563, 11577, 11592, 11607, 11621, 11637, 11651, 11665, 11680, 11694, 11708, 11725, 11740, 11754, 11768, 11784, 11798, 11813, 11828, 11843, 11858, 11874, 11888, 11904, 11920, 11933, 11948, 11964, 11979, 11993, 12009, 12024, 12041, 12058, 12071, 12087, 12102, 12117, 12132, 12148, 12165, 12179, 12195, 12210, 12226, 12241, 12256, 12273, 12288, 12304, 12320, 12335, 12350, 12365, 12382, 12398, 12414, 12430, 12446, 12462, 12478, 12495, 12511, 12525, 12541, 12556, 12575, 12591, 12605, 12622, 12638, 12653, 12671, 12686, 12705, 12721, 12739, 12756, 12772, 12788, 12806, 12822, 12839, 12855, 12873, 12890, 12908, 12923, 12941, 12960, 12975, 12992, 13009, 13024, 13040, 13059, 13076, 13092, 13109, 13128, 13145, 13161, 13179, 13194, 13216, 13233, 13249, 13266, 13287, 13303, 13322, 13337, 13357, 13375, 13392, 13410, 13424, 13446, 13465, 13480, 13499, 13517, 13533, 13559, 13575, 13595, 13612, 13632, 13650, 13670, 13687, 13706, 13726, 13744, 13765, 13783, 13803, 13822, 13841, 13860, 13879, 13897, 13917, 13936, 13960, 13979, 13996, 14019, 14040, 14057, 14077, 14102, 14122, 14141, 14163, 14184, 14202, 14225, 14244, 14265, 14287, 14312, 14336, 14356, 14375, 14393, 14420, 14438, 14465, 14483, 14500, 14536, 14555, 14575, 14604, 14619, 14648, 14668, 14691, 14725, 14748, 14770, 14788, 14818, 14840, 14862, 14888, 14921, 14939, 14969, 14996, 15022, 15051, 15075, 15098, 15130, 15149, 15167, 15218, 15237, 15276, 15297, 15333, 15356, 15379, 15418, 15447, 15481, 15508, 15530, 15574, 15599, 15643, 15680, 15697, 15743, 15759, 15775, 15813, 15845, 15877, 15911, 15931, 15968, 16014, 16049, 16077, 16088, 16138, 16149, 16185, 16200, 16241, 16280, 16296}; - public ABITracerTest() { - } + private ABITrace tracer = null; + //Test length of tracer for file 3730.ab1 + static final int EXPECTED_TRACE_LENGTH = 16302; - @BeforeClass - public static void setUpClass() throws Exception { - } - - @AfterClass - public static void tearDownClass() throws Exception { - } - - @Before - public void setUp() { + @BeforeEach + void setUp() throws Exception { + URL resource = this.getClass().getResource("/3730.ab1"); + assertNotNull(resource); + tracer = new ABITrace(resource); } - @After - public void tearDown() { + @AfterEach + void tearDown() { } /** @@ -68,9 +65,6 @@ public void tearDown() { */ @Test public void testURL() throws Exception { - URL resource = this.getClass().getResource("/3730.ab1"); - assertNotNull(resource); - ABITrace tracer = new ABITrace(resource); assertNotNull(tracer); } @@ -78,7 +72,7 @@ public void testURL() throws Exception { * Test of Local file method, of class ABITracer. */ @Test - public void testLocal() throws Exception { + void testLocal() throws Exception { URL resource = this.getClass().getResource("/3730.ab1"); assertNotNull(resource); File file = new File(resource.toURI()); @@ -86,8 +80,7 @@ public void testLocal() throws Exception { ABITrace tracer = new ABITrace(file); assertNotNull(tracer); - //Test length of tracer for file 3730.ab1 - final int EXPECTED_TRACE_LENGTH = 16302; + assertEquals(EXPECTED_TRACE_LENGTH, tracer.getTraceLength()); //Test length of sequence for file 3730.ab1 assertEquals(1165, tracer.getSequenceLength()); @@ -102,9 +95,18 @@ public void testLocal() throws Exception { BufferedImage image = tracer.getImage(100,100); assertNotNull(image); - Assert.assertThrows(CompoundNotFoundException.class, ()->tracer.getTrace("D")); - for (String base: Arrays.asList(new String []{"A","T","C","G"})){ - assertEquals(EXPECTED_TRACE_LENGTH, tracer.getTrace(base).length); - } + + } + + @DisplayName("getTrace rejects invalid bases") + @Test + void testGetTraceThrowsCNFE() throws Exception { + assertThrows(CompoundNotFoundException.class, ()->tracer.getTrace("D")); + } + + @ParameterizedTest + @ValueSource(strings = {"A","T","C", "G" }) + void testGetTrace(String base) throws Exception {; + assertEquals(EXPECTED_TRACE_LENGTH, tracer.getTrace(base).length); } } diff --git a/pom.xml b/pom.xml index d5a7d30e65..3866c8753e 100644 --- a/pom.xml +++ b/pom.xml @@ -43,6 +43,7 @@ 1.0.10 1.7.30 2.14.0 + 5.7.2 ciftools-java-jdk8 2.0.2 @@ -243,20 +244,8 @@ org.apache.maven.plugins maven-surefire-plugin 3.0.0-M5 - - - true - true - true - true - - - true - true - true - - - + + org.apache.maven.plugins maven-shade-plugin @@ -419,23 +408,24 @@ test - org.junit.vintage - junit-vintage-engine - 5.7.2 - test - - - org.junit.jupiter - junit-jupiter-api - 5.7.2 - test - - - org.junit.jupiter - junit-jupiter-engine - 5.7.2 - test - + org.junit.vintage + junit-vintage-engine + ${junit-jupiter.version} + test + + + + org.junit.jupiter + junit-jupiter-engine + ${junit-jupiter.version} + test + + + org.junit.jupiter + junit-jupiter-params + ${junit-jupiter.version} + test + org.slf4j slf4j-api From 00bd3b2c610e60dded181e85a8781be588e7b991 Mon Sep 17 00:00:00 2001 From: Richard Adams Date: Sun, 4 Jul 2021 10:43:38 +0100 Subject: [PATCH 329/821] formatting --- .../nbio/core/sequence/io/ABITracerTest.java | 159 +++++++++++++++--- 1 file changed, 131 insertions(+), 28 deletions(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java index dce9cc7b58..3024940a07 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java @@ -21,9 +21,8 @@ package org.biojava.nbio.core.sequence.io; - import static org.junit.jupiter.api.Assertions.*; -import org.junit.jupiter.api.*; +import org.junit.jupiter.api.*; import org.junit.jupiter.params.provider.ValueSource; import org.junit.jupiter.params.ParameterizedTest; @@ -35,31 +34,138 @@ import org.biojava.nbio.core.exceptions.CompoundNotFoundException; /** - * Test file 3730.ab1 is from https://github.com/biopython/biopython/blob/master/Tests/Abi/3730.ab1 - * The test data for comparing the results from ABITrace.java for file 3730.ab1 is from https://github.com/biopython/biopython/blob/master/Tests/Abi/test_data + * Test file 3730.ab1 is from https://github.com/biopython/biopython/blob/master/Tests/Abi/3730.ab1 The test data for + * comparing the results from ABITrace.java for file 3730.ab1 is from + * https://github.com/biopython/biopython/blob/master/Tests/Abi/test_data */ public class ABITracerTest { - private String sequence = "GGGCGAGCKYYAYATTTTGGCAAGAATTGAGCTCTATGGCCACAACCATGGTGAGCAAGGGCGAGGAGGATAACATGGCCATCATCAAGGAGTTCATGCGCTTCAAGGTGCACATGGAGGGCTCCGTGAACGGCCACGAGTTCGAGATCGAGGGCGAGGGCGAGGGCCGCCCCTACGAGGGCACCCAGACCGCCAAGCTGAAGGTGACCAAGGGTGGCCCCCTGCCCTTCGCCTGGGACATCCTGTCCCCTCAGTTCATGTACGGCTCCAAGGCCTACGTGAAGCACCCCGCCGACATCCCCGACTACTTGAAGCTGTCCTTCCCCGAGGGCTTCAAGTGGGAGCGCGTGATGAACTTCGAGGACGGCGGCGTGGTGACCGTGACCCAGGACTCCTCCCTGCAGGACGGCGAGTTCATCTACAAGGTGAAGCTGCGCGGCACCAACTTCCCCTCCGACGGCCCCGTAATGCAGAAGAAGACCATGGGCTGGGAGGCCTCCTCCGAGCGGATGTACCCCGAGGACGGCGCCCTGAAGGGCGAGATCAAGCAGAGGCTGAAGCTGAAGGACGGCGGCCACTACGACGCTGAGGTCAAGACCACCTACAAGGCCAAGAAGCCCGTGCAGCTGCCCGGCGCCTACAACGTCAACATCAAGTTGGACATCACCTCCCACAACGAGGACTACACCATCGTGGAACAGTACGAACGCGCCGAGGGCCGCCACTCCACCGGCGGCATGGACGAGCTGTACAAGGGCGGCAGCGGCATGGTGAGCAAGGGCGAGGAGCTGTTCACCGGGGTGGTGCCCATCCTGGTCGAGCTGGACGGCGACGTAAACGGCCACAAGTTCAGCGTGTCCGGCGAGGGCGAGGGCGATGCCACCTACGGCAAGCTGACCCTGAAGTTCATCTGCACCACCGGCAAGCTGCCCGTGCCCTGGCCCACCCTCGTGACCACCCTGACCTACGGCGTGCAGTGCTTCAGCCGCTACCCCGACCACATGAAGCAGCACGACTTCTTCAAGTCCGCCATGCCCGAAGGCTACGTCCAGGAGCGCACCATCTTCTTCAAGGACGACGGCAACTACAARACCCGCGCCGAGGTGAARTTCGAGGGCGACACCCTGGTGAACCGCATCGAGCTGAAAGGGGCAYCGCACCTTTC"; - private int[] qual = {20, 3, 4, 4, 4, 6, 4, 4, 0, 0, 0, 6, 0, 10, 20, 26, 22, 17, 21, 31, 29, 32, 28, 18, 23, 17, 19, 35, 36, 50, 39, 50, 50, 50, 50, 50, 25, 35, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 35, 39, 33, 20, 35, 31, 50, 50, 50, 50, 50, 50, 50, 50, 50, 31, 50, 35, 31, 23, 28, 31, 21, 43, 39, 35, 24, 30, 26, 35, 31, 50, 50, 50, 50, 50, 50, 50, 50, 50, 39, 31, 24, 39, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 31, 31, 43, 43, 50, 50, 50, 50, 50, 31, 31, 31, 31, 50, 50, 50, 50, 50, 50, 50, 50, 31, 31, 35, 50, 50, 50, 50, 31, 36, 55, 55, 55, 55, 36, 55, 55, 55, 55, 55, 36, 55, 55, 55, 55, 55, 36, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 40, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 36, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 40, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 43, 43, 50, 43, 43, 50, 43, 43, 50, 43, 43, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 43, 43, 50, 43, 43, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 28, 28, 35, 28, 28, 35, 28, 28, 35, 28, 28, 35, 28, 28, 35, 28, 21, 28, 35, 28, 28, 35, 35, 35, 35, 35, 37, 38, 21, 28, 35, 28, 28, 35, 35, 35, 35, 35, 35, 35, 36, 36, 21, 39, 35, 35, 35, 39, 35, 37, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 28, 28, 35, 35, 28, 28, 35, 35, 35, 36, 36, 22, 39, 35, 35, 35, 35, 35, 35, 37, 38, 28, 35, 21, 36, 36, 37, 35, 35, 20, 39, 39, 35, 35, 35, 35, 37, 38, 28, 35, 37, 34, 35, 24, 24, 27, 25, 20, 24, 37, 35, 27, 21, 20, 21, 27, 17, 20, 24, 32, 26, 20, 12, 20, 10, 20, 24, 25, 23, 20, 32, 24, 24, 23, 20, 24, 23, 18, 34, 34, 34, 22, 26, 24, 24, 18, 22, 22, 23, 25, 20, 12, 20, 24, 23, 24, 23, 22, 20, 20, 0, 20, 24, 23, 20, 8, 10, 4, 20, 20, 3, 7, 19, 20, 4, 4, 7, 7, 0, 7, 11, 18, 8, 3, 23, 23, 20, 11, 4, 20, 18, 12, 20, 20, 20, 4, 20, 4, 2, 3, 21, 21, 21, 21, 10, 15, 14, 15, 19, 2, 4, 3, 6, 11, 3, 4, 6, 21, 16, 20, 11, 1, 4, 12, 0, 15, 8, 1, 3, 3, 12, 1, 11, 20, 4}; - private int[] base = {2, 13, 38, 51, 67, 78, 92, 118, 138, 162, 181, 191, 210, 222, 239, 253, 266, 280, 288, 304, 317, 333, 347, 359, 375, 386, 394, 406, 418, 433, 444, 457, 472, 482, 496, 506, 519, 529, 544, 557, 569, 579, 590, 601, 614, 626, 638, 649, 663, 673, 686, 706, 715, 731, 740, 753, 765, 777, 787, 799, 813, 826, 838, 854, 863, 876, 892, 901, 913, 929, 937, 948, 960, 970, 981, 993, 1004, 1017, 1034, 1045, 1056, 1068, 1080, 1091, 1103, 1115, 1126, 1138, 1148, 1160, 1177, 1187, 1199, 1211, 1222, 1232, 1243, 1254, 1268, 1279, 1294, 1307, 1319, 1330, 1341, 1352, 1362, 1374, 1388, 1398, 1411, 1422, 1433, 1444, 1456, 1466, 1479, 1497, 1506, 1519, 1531, 1543, 1556, 1567, 1578, 1589, 1604, 1614, 1630, 1641, 1651, 1662, 1675, 1688, 1700, 1711, 1721, 1732, 1748, 1758, 1772, 1784, 1795, 1806, 1820, 1830, 1844, 1855, 1866, 1877, 1892, 1902, 1914, 1926, 1939, 1950, 1965, 1974, 1986, 1999, 2011, 2023, 2037, 2047, 2059, 2072, 2084, 2096, 2107, 2120, 2132, 2144, 2156, 2169, 2180, 2191, 2202, 2217, 2227, 2239, 2251, 2264, 2275, 2286, 2297, 2309, 2321, 2332, 2347, 2358, 2369, 2381, 2394, 2406, 2417, 2429, 2439, 2452, 2465, 2476, 2490, 2501, 2512, 2524, 2536, 2546, 2560, 2570, 2581, 2593, 2605, 2616, 2628, 2640, 2653, 2664, 2676, 2688, 2700, 2712, 2723, 2735, 2748, 2759, 2772, 2784, 2795, 2808, 2820, 2831, 2842, 2854, 2866, 2878, 2888, 2901, 2913, 2927, 2936, 2947, 2958, 2970, 2982, 2994, 3005, 3019, 3030, 3041, 3053, 3064, 3077, 3088, 3099, 3110, 3123, 3135, 3146, 3157, 3168, 3179, 3192, 3203, 3214, 3226, 3238, 3251, 3263, 3275, 3286, 3297, 3308, 3320, 3331, 3344, 3356, 3368, 3380, 3391, 3402, 3415, 3426, 3440, 3451, 3462, 3474, 3485, 3496, 3508, 3520, 3532, 3543, 3556, 3569, 3580, 3593, 3604, 3615, 3626, 3638, 3650, 3661, 3673, 3684, 3698, 3709, 3721, 3732, 3744, 3756, 3767, 3779, 3792, 3803, 3814, 3827, 3838, 3850, 3862, 3873, 3885, 3897, 3909, 3920, 3932, 3943, 3955, 3966, 3980, 3990, 4002, 4014, 4026, 4038, 4050, 4061, 4072, 4083, 4095, 4107, 4119, 4131, 4143, 4156, 4167, 4179, 4191, 4203, 4215, 4227, 4238, 4252, 4262, 4274, 4287, 4298, 4310, 4321, 4333, 4345, 4356, 4370, 4381, 4393, 4406, 4417, 4428, 4440, 4453, 4464, 4477, 4489, 4500, 4513, 4524, 4536, 4548, 4560, 4573, 4583, 4595, 4607, 4620, 4631, 4645, 4655, 4667, 4679, 4690, 4702, 4714, 4728, 4739, 4750, 4762, 4774, 4786, 4798, 4810, 4821, 4833, 4845, 4857, 4869, 4880, 4892, 4905, 4916, 4927, 4940, 4952, 4963, 4977, 4988, 5000, 5012, 5023, 5034, 5045, 5057, 5069, 5081, 5093, 5104, 5115, 5127, 5139, 5151, 5163, 5176, 5188, 5199, 5211, 5223, 5235, 5247, 5259, 5272, 5283, 5296, 5308, 5320, 5331, 5343, 5354, 5366, 5378, 5390, 5402, 5414, 5426, 5438, 5450, 5462, 5474, 5486, 5497, 5510, 5521, 5532, 5544, 5557, 5569, 5581, 5592, 5604, 5617, 5629, 5641, 5652, 5663, 5676, 5687, 5699, 5712, 5724, 5735, 5748, 5760, 5771, 5784, 5794, 5806, 5817, 5829, 5841, 5853, 5866, 5879, 5891, 5903, 5916, 5928, 5941, 5952, 5964, 5976, 5988, 6000, 6012, 6024, 6036, 6048, 6060, 6072, 6085, 6096, 6109, 6121, 6133, 6146, 6157, 6168, 6180, 6192, 6203, 6215, 6227, 6239, 6251, 6265, 6276, 6289, 6302, 6313, 6325, 6337, 6349, 6361, 6374, 6386, 6398, 6410, 6422, 6436, 6448, 6459, 6471, 6483, 6495, 6507, 6520, 6532, 6545, 6555, 6567, 6579, 6591, 6603, 6615, 6627, 6640, 6652, 6664, 6676, 6688, 6700, 6713, 6726, 6738, 6749, 6761, 6774, 6786, 6799, 6811, 6823, 6835, 6848, 6859, 6871, 6883, 6895, 6907, 6920, 6933, 6945, 6956, 6968, 6980, 6992, 7005, 7016, 7030, 7042, 7053, 7066, 7079, 7091, 7104, 7115, 7128, 7140, 7152, 7163, 7175, 7187, 7200, 7212, 7224, 7235, 7248, 7260, 7272, 7285, 7297, 7309, 7321, 7333, 7345, 7358, 7370, 7382, 7394, 7406, 7419, 7431, 7443, 7455, 7468, 7480, 7492, 7505, 7517, 7530, 7542, 7554, 7566, 7578, 7591, 7603, 7615, 7628, 7640, 7653, 7666, 7677, 7690, 7702, 7714, 7727, 7738, 7750, 7762, 7775, 7786, 7799, 7812, 7823, 7836, 7848, 7859, 7871, 7884, 7896, 7909, 7921, 7933, 7946, 7958, 7971, 7984, 7996, 8007, 8019, 8032, 8044, 8056, 8069, 8081, 8094, 8107, 8119, 8131, 8143, 8155, 8167, 8179, 8192, 8205, 8218, 8230, 8244, 8255, 8267, 8279, 8291, 8303, 8315, 8328, 8340, 8353, 8366, 8378, 8392, 8404, 8417, 8431, 8443, 8455, 8467, 8479, 8492, 8504, 8516, 8529, 8543, 8555, 8567, 8580, 8593, 8606, 8619, 8632, 8644, 8658, 8670, 8683, 8695, 8708, 8721, 8733, 8746, 8759, 8771, 8783, 8795, 8808, 8821, 8833, 8845, 8858, 8871, 8885, 8898, 8910, 8923, 8936, 8949, 8960, 8973, 8986, 9000, 9012, 9025, 9038, 9051, 9064, 9076, 9089, 9102, 9114, 9126, 9139, 9151, 9164, 9177, 9191, 9204, 9217, 9230, 9243, 9255, 9268, 9281, 9294, 9307, 9320, 9333, 9345, 9358, 9371, 9384, 9398, 9412, 9424, 9437, 9450, 9462, 9475, 9488, 9501, 9514, 9528, 9542, 9554, 9567, 9581, 9593, 9606, 9619, 9632, 9645, 9658, 9671, 9682, 9695, 9708, 9721, 9735, 9749, 9762, 9776, 9789, 9802, 9815, 9828, 9842, 9855, 9867, 9880, 9893, 9906, 9920, 9933, 9947, 9960, 9974, 9987, 10000, 10014, 10027, 10040, 10054, 10067, 10081, 10095, 10107, 10120, 10134, 10148, 10161, 10175, 10188, 10201, 10214, 10228, 10241, 10254, 10267, 10280, 10294, 10309, 10322, 10335, 10348, 10362, 10374, 10387, 10401, 10415, 10428, 10441, 10455, 10469, 10482, 10497, 10510, 10523, 10537, 10551, 10565, 10579, 10593, 10606, 10621, 10634, 10647, 10661, 10675, 10689, 10704, 10719, 10732, 10746, 10760, 10774, 10788, 10802, 10815, 10829, 10843, 10856, 10871, 10884, 10898, 10913, 10927, 10940, 10955, 10970, 10984, 10999, 11013, 11027, 11042, 11056, 11071, 11086, 11100, 11114, 11128, 11142, 11158, 11171, 11186, 11200, 11213, 11228, 11241, 11255, 11270, 11284, 11299, 11314, 11328, 11342, 11356, 11370, 11385, 11399, 11413, 11429, 11445, 11460, 11474, 11489, 11503, 11518, 11533, 11549, 11563, 11577, 11592, 11607, 11621, 11637, 11651, 11665, 11680, 11694, 11708, 11725, 11740, 11754, 11768, 11784, 11798, 11813, 11828, 11843, 11858, 11874, 11888, 11904, 11920, 11933, 11948, 11964, 11979, 11993, 12009, 12024, 12041, 12058, 12071, 12087, 12102, 12117, 12132, 12148, 12165, 12179, 12195, 12210, 12226, 12241, 12256, 12273, 12288, 12304, 12320, 12335, 12350, 12365, 12382, 12398, 12414, 12430, 12446, 12462, 12478, 12495, 12511, 12525, 12541, 12556, 12575, 12591, 12605, 12622, 12638, 12653, 12671, 12686, 12705, 12721, 12739, 12756, 12772, 12788, 12806, 12822, 12839, 12855, 12873, 12890, 12908, 12923, 12941, 12960, 12975, 12992, 13009, 13024, 13040, 13059, 13076, 13092, 13109, 13128, 13145, 13161, 13179, 13194, 13216, 13233, 13249, 13266, 13287, 13303, 13322, 13337, 13357, 13375, 13392, 13410, 13424, 13446, 13465, 13480, 13499, 13517, 13533, 13559, 13575, 13595, 13612, 13632, 13650, 13670, 13687, 13706, 13726, 13744, 13765, 13783, 13803, 13822, 13841, 13860, 13879, 13897, 13917, 13936, 13960, 13979, 13996, 14019, 14040, 14057, 14077, 14102, 14122, 14141, 14163, 14184, 14202, 14225, 14244, 14265, 14287, 14312, 14336, 14356, 14375, 14393, 14420, 14438, 14465, 14483, 14500, 14536, 14555, 14575, 14604, 14619, 14648, 14668, 14691, 14725, 14748, 14770, 14788, 14818, 14840, 14862, 14888, 14921, 14939, 14969, 14996, 15022, 15051, 15075, 15098, 15130, 15149, 15167, 15218, 15237, 15276, 15297, 15333, 15356, 15379, 15418, 15447, 15481, 15508, 15530, 15574, 15599, 15643, 15680, 15697, 15743, 15759, 15775, 15813, 15845, 15877, 15911, 15931, 15968, 16014, 16049, 16077, 16088, 16138, 16149, 16185, 16200, 16241, 16280, 16296}; + private int[] qual = { 20, 3, 4, 4, 4, 6, 4, 4, 0, 0, 0, 6, 0, 10, 20, 26, 22, 17, 21, 31, 29, 32, 28, 18, 23, 17, + 19, 35, 36, 50, 39, 50, 50, 50, 50, 50, 25, 35, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 35, 39, 33, 20, 35, + 31, 50, 50, 50, 50, 50, 50, 50, 50, 50, 31, 50, 35, 31, 23, 28, 31, 21, 43, 39, 35, 24, 30, 26, 35, 31, 50, + 50, 50, 50, 50, 50, 50, 50, 50, 39, 31, 24, 39, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, + 50, 50, 50, 50, 50, 50, 50, 50, 50, 31, 31, 43, 43, 50, 50, 50, 50, 50, 31, 31, 31, 31, 50, 50, 50, 50, 50, + 50, 50, 50, 31, 31, 35, 50, 50, 50, 50, 31, 36, 55, 55, 55, 55, 36, 55, 55, 55, 55, 55, 36, 55, 55, 55, 55, + 55, 36, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 40, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 36, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 40, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, + 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 50, 50, + 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, + 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, + 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, + 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, + 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, + 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, + 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, + 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, + 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, + 50, 43, 43, 50, 43, 43, 50, 43, 43, 50, 43, 43, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, + 50, 50, 50, 50, 50, 50, 43, 43, 50, 43, 43, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 35, 35, 35, 35, 35, 35, + 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 28, 28, 35, 28, 28, 35, 28, 28, 35, 28, 28, 35, 28, 28, 35, 28, + 21, 28, 35, 28, 28, 35, 35, 35, 35, 35, 37, 38, 21, 28, 35, 28, 28, 35, 35, 35, 35, 35, 35, 35, 36, 36, 21, + 39, 35, 35, 35, 39, 35, 37, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 28, 28, 35, 35, 28, 28, 35, 35, + 35, 36, 36, 22, 39, 35, 35, 35, 35, 35, 35, 37, 38, 28, 35, 21, 36, 36, 37, 35, 35, 20, 39, 39, 35, 35, 35, + 35, 37, 38, 28, 35, 37, 34, 35, 24, 24, 27, 25, 20, 24, 37, 35, 27, 21, 20, 21, 27, 17, 20, 24, 32, 26, 20, + 12, 20, 10, 20, 24, 25, 23, 20, 32, 24, 24, 23, 20, 24, 23, 18, 34, 34, 34, 22, 26, 24, 24, 18, 22, 22, 23, + 25, 20, 12, 20, 24, 23, 24, 23, 22, 20, 20, 0, 20, 24, 23, 20, 8, 10, 4, 20, 20, 3, 7, 19, 20, 4, 4, 7, 7, + 0, 7, 11, 18, 8, 3, 23, 23, 20, 11, 4, 20, 18, 12, 20, 20, 20, 4, 20, 4, 2, 3, 21, 21, 21, 21, 10, 15, 14, + 15, 19, 2, 4, 3, 6, 11, 3, 4, 6, 21, 16, 20, 11, 1, 4, 12, 0, 15, 8, 1, 3, 3, 12, 1, 11, 20, 4 }; + private int[] base = { 2, 13, 38, 51, 67, 78, 92, 118, 138, 162, 181, 191, 210, 222, 239, 253, 266, 280, 288, 304, + 317, 333, 347, 359, 375, 386, 394, 406, 418, 433, 444, 457, 472, 482, 496, 506, 519, 529, 544, 557, 569, + 579, 590, 601, 614, 626, 638, 649, 663, 673, 686, 706, 715, 731, 740, 753, 765, 777, 787, 799, 813, 826, + 838, 854, 863, 876, 892, 901, 913, 929, 937, 948, 960, 970, 981, 993, 1004, 1017, 1034, 1045, 1056, 1068, + 1080, 1091, 1103, 1115, 1126, 1138, 1148, 1160, 1177, 1187, 1199, 1211, 1222, 1232, 1243, 1254, 1268, 1279, + 1294, 1307, 1319, 1330, 1341, 1352, 1362, 1374, 1388, 1398, 1411, 1422, 1433, 1444, 1456, 1466, 1479, 1497, + 1506, 1519, 1531, 1543, 1556, 1567, 1578, 1589, 1604, 1614, 1630, 1641, 1651, 1662, 1675, 1688, 1700, 1711, + 1721, 1732, 1748, 1758, 1772, 1784, 1795, 1806, 1820, 1830, 1844, 1855, 1866, 1877, 1892, 1902, 1914, 1926, + 1939, 1950, 1965, 1974, 1986, 1999, 2011, 2023, 2037, 2047, 2059, 2072, 2084, 2096, 2107, 2120, 2132, 2144, + 2156, 2169, 2180, 2191, 2202, 2217, 2227, 2239, 2251, 2264, 2275, 2286, 2297, 2309, 2321, 2332, 2347, 2358, + 2369, 2381, 2394, 2406, 2417, 2429, 2439, 2452, 2465, 2476, 2490, 2501, 2512, 2524, 2536, 2546, 2560, 2570, + 2581, 2593, 2605, 2616, 2628, 2640, 2653, 2664, 2676, 2688, 2700, 2712, 2723, 2735, 2748, 2759, 2772, 2784, + 2795, 2808, 2820, 2831, 2842, 2854, 2866, 2878, 2888, 2901, 2913, 2927, 2936, 2947, 2958, 2970, 2982, 2994, + 3005, 3019, 3030, 3041, 3053, 3064, 3077, 3088, 3099, 3110, 3123, 3135, 3146, 3157, 3168, 3179, 3192, 3203, + 3214, 3226, 3238, 3251, 3263, 3275, 3286, 3297, 3308, 3320, 3331, 3344, 3356, 3368, 3380, 3391, 3402, 3415, + 3426, 3440, 3451, 3462, 3474, 3485, 3496, 3508, 3520, 3532, 3543, 3556, 3569, 3580, 3593, 3604, 3615, 3626, + 3638, 3650, 3661, 3673, 3684, 3698, 3709, 3721, 3732, 3744, 3756, 3767, 3779, 3792, 3803, 3814, 3827, 3838, + 3850, 3862, 3873, 3885, 3897, 3909, 3920, 3932, 3943, 3955, 3966, 3980, 3990, 4002, 4014, 4026, 4038, 4050, + 4061, 4072, 4083, 4095, 4107, 4119, 4131, 4143, 4156, 4167, 4179, 4191, 4203, 4215, 4227, 4238, 4252, 4262, + 4274, 4287, 4298, 4310, 4321, 4333, 4345, 4356, 4370, 4381, 4393, 4406, 4417, 4428, 4440, 4453, 4464, 4477, + 4489, 4500, 4513, 4524, 4536, 4548, 4560, 4573, 4583, 4595, 4607, 4620, 4631, 4645, 4655, 4667, 4679, 4690, + 4702, 4714, 4728, 4739, 4750, 4762, 4774, 4786, 4798, 4810, 4821, 4833, 4845, 4857, 4869, 4880, 4892, 4905, + 4916, 4927, 4940, 4952, 4963, 4977, 4988, 5000, 5012, 5023, 5034, 5045, 5057, 5069, 5081, 5093, 5104, 5115, + 5127, 5139, 5151, 5163, 5176, 5188, 5199, 5211, 5223, 5235, 5247, 5259, 5272, 5283, 5296, 5308, 5320, 5331, + 5343, 5354, 5366, 5378, 5390, 5402, 5414, 5426, 5438, 5450, 5462, 5474, 5486, 5497, 5510, 5521, 5532, 5544, + 5557, 5569, 5581, 5592, 5604, 5617, 5629, 5641, 5652, 5663, 5676, 5687, 5699, 5712, 5724, 5735, 5748, 5760, + 5771, 5784, 5794, 5806, 5817, 5829, 5841, 5853, 5866, 5879, 5891, 5903, 5916, 5928, 5941, 5952, 5964, 5976, + 5988, 6000, 6012, 6024, 6036, 6048, 6060, 6072, 6085, 6096, 6109, 6121, 6133, 6146, 6157, 6168, 6180, 6192, + 6203, 6215, 6227, 6239, 6251, 6265, 6276, 6289, 6302, 6313, 6325, 6337, 6349, 6361, 6374, 6386, 6398, 6410, + 6422, 6436, 6448, 6459, 6471, 6483, 6495, 6507, 6520, 6532, 6545, 6555, 6567, 6579, 6591, 6603, 6615, 6627, + 6640, 6652, 6664, 6676, 6688, 6700, 6713, 6726, 6738, 6749, 6761, 6774, 6786, 6799, 6811, 6823, 6835, 6848, + 6859, 6871, 6883, 6895, 6907, 6920, 6933, 6945, 6956, 6968, 6980, 6992, 7005, 7016, 7030, 7042, 7053, 7066, + 7079, 7091, 7104, 7115, 7128, 7140, 7152, 7163, 7175, 7187, 7200, 7212, 7224, 7235, 7248, 7260, 7272, 7285, + 7297, 7309, 7321, 7333, 7345, 7358, 7370, 7382, 7394, 7406, 7419, 7431, 7443, 7455, 7468, 7480, 7492, 7505, + 7517, 7530, 7542, 7554, 7566, 7578, 7591, 7603, 7615, 7628, 7640, 7653, 7666, 7677, 7690, 7702, 7714, 7727, + 7738, 7750, 7762, 7775, 7786, 7799, 7812, 7823, 7836, 7848, 7859, 7871, 7884, 7896, 7909, 7921, 7933, 7946, + 7958, 7971, 7984, 7996, 8007, 8019, 8032, 8044, 8056, 8069, 8081, 8094, 8107, 8119, 8131, 8143, 8155, 8167, + 8179, 8192, 8205, 8218, 8230, 8244, 8255, 8267, 8279, 8291, 8303, 8315, 8328, 8340, 8353, 8366, 8378, 8392, + 8404, 8417, 8431, 8443, 8455, 8467, 8479, 8492, 8504, 8516, 8529, 8543, 8555, 8567, 8580, 8593, 8606, 8619, + 8632, 8644, 8658, 8670, 8683, 8695, 8708, 8721, 8733, 8746, 8759, 8771, 8783, 8795, 8808, 8821, 8833, 8845, + 8858, 8871, 8885, 8898, 8910, 8923, 8936, 8949, 8960, 8973, 8986, 9000, 9012, 9025, 9038, 9051, 9064, 9076, + 9089, 9102, 9114, 9126, 9139, 9151, 9164, 9177, 9191, 9204, 9217, 9230, 9243, 9255, 9268, 9281, 9294, 9307, + 9320, 9333, 9345, 9358, 9371, 9384, 9398, 9412, 9424, 9437, 9450, 9462, 9475, 9488, 9501, 9514, 9528, 9542, + 9554, 9567, 9581, 9593, 9606, 9619, 9632, 9645, 9658, 9671, 9682, 9695, 9708, 9721, 9735, 9749, 9762, 9776, + 9789, 9802, 9815, 9828, 9842, 9855, 9867, 9880, 9893, 9906, 9920, 9933, 9947, 9960, 9974, 9987, 10000, + 10014, 10027, 10040, 10054, 10067, 10081, 10095, 10107, 10120, 10134, 10148, 10161, 10175, 10188, 10201, + 10214, 10228, 10241, 10254, 10267, 10280, 10294, 10309, 10322, 10335, 10348, 10362, 10374, 10387, 10401, + 10415, 10428, 10441, 10455, 10469, 10482, 10497, 10510, 10523, 10537, 10551, 10565, 10579, 10593, 10606, + 10621, 10634, 10647, 10661, 10675, 10689, 10704, 10719, 10732, 10746, 10760, 10774, 10788, 10802, 10815, + 10829, 10843, 10856, 10871, 10884, 10898, 10913, 10927, 10940, 10955, 10970, 10984, 10999, 11013, 11027, + 11042, 11056, 11071, 11086, 11100, 11114, 11128, 11142, 11158, 11171, 11186, 11200, 11213, 11228, 11241, + 11255, 11270, 11284, 11299, 11314, 11328, 11342, 11356, 11370, 11385, 11399, 11413, 11429, 11445, 11460, + 11474, 11489, 11503, 11518, 11533, 11549, 11563, 11577, 11592, 11607, 11621, 11637, 11651, 11665, 11680, + 11694, 11708, 11725, 11740, 11754, 11768, 11784, 11798, 11813, 11828, 11843, 11858, 11874, 11888, 11904, + 11920, 11933, 11948, 11964, 11979, 11993, 12009, 12024, 12041, 12058, 12071, 12087, 12102, 12117, 12132, + 12148, 12165, 12179, 12195, 12210, 12226, 12241, 12256, 12273, 12288, 12304, 12320, 12335, 12350, 12365, + 12382, 12398, 12414, 12430, 12446, 12462, 12478, 12495, 12511, 12525, 12541, 12556, 12575, 12591, 12605, + 12622, 12638, 12653, 12671, 12686, 12705, 12721, 12739, 12756, 12772, 12788, 12806, 12822, 12839, 12855, + 12873, 12890, 12908, 12923, 12941, 12960, 12975, 12992, 13009, 13024, 13040, 13059, 13076, 13092, 13109, + 13128, 13145, 13161, 13179, 13194, 13216, 13233, 13249, 13266, 13287, 13303, 13322, 13337, 13357, 13375, + 13392, 13410, 13424, 13446, 13465, 13480, 13499, 13517, 13533, 13559, 13575, 13595, 13612, 13632, 13650, + 13670, 13687, 13706, 13726, 13744, 13765, 13783, 13803, 13822, 13841, 13860, 13879, 13897, 13917, 13936, + 13960, 13979, 13996, 14019, 14040, 14057, 14077, 14102, 14122, 14141, 14163, 14184, 14202, 14225, 14244, + 14265, 14287, 14312, 14336, 14356, 14375, 14393, 14420, 14438, 14465, 14483, 14500, 14536, 14555, 14575, + 14604, 14619, 14648, 14668, 14691, 14725, 14748, 14770, 14788, 14818, 14840, 14862, 14888, 14921, 14939, + 14969, 14996, 15022, 15051, 15075, 15098, 15130, 15149, 15167, 15218, 15237, 15276, 15297, 15333, 15356, + 15379, 15418, 15447, 15481, 15508, 15530, 15574, 15599, 15643, 15680, 15697, 15743, 15759, 15775, 15813, + 15845, 15877, 15911, 15931, 15968, 16014, 16049, 16077, 16088, 16138, 16149, 16185, 16200, 16241, 16280, + 16296 }; private ABITrace tracer = null; - //Test length of tracer for file 3730.ab1 + + // Test length of tracer for file 3730.ab1 static final int EXPECTED_TRACE_LENGTH = 16302; @BeforeEach - void setUp() throws Exception { + void setUp() throws Exception { URL resource = this.getClass().getResource("/3730.ab1"); assertNotNull(resource); tracer = new ABITrace(resource); } - @AfterEach - void tearDown() { - } - /** * Test of URL method, of class ABITracer. */ @@ -72,41 +178,38 @@ public void testURL() throws Exception { * Test of Local file method, of class ABITracer. */ @Test - void testLocal() throws Exception { + void testLocal() throws Exception { URL resource = this.getClass().getResource("/3730.ab1"); - assertNotNull(resource); File file = new File(resource.toURI()); assertNotNull(file); ABITrace tracer = new ABITrace(file); assertNotNull(tracer); - assertEquals(EXPECTED_TRACE_LENGTH, tracer.getTraceLength()); - //Test length of sequence for file 3730.ab1 + // Test length of sequence for file 3730.ab1 assertEquals(1165, tracer.getSequenceLength()); - //Test sequence of tracer for file 3730.ab1 + // Test sequence of tracer for file 3730.ab1 assertTrue(sequence.equals(tracer.getSequence().getSequenceAsString())); - //Test array that represents the quality of tracer for file 3730.ab1 + // Test array that represents the quality of tracer for file 3730.ab1 assertArrayEquals(qual, tracer.getQcalls()); - //Test array that represents the baseline of tracer for file 3730.ab1 + // Test array that represents the baseline of tracer for file 3730.ab1 assertArrayEquals(base, tracer.getBasecalls()); - //Test image of tracer for file 3730.ab1 - BufferedImage image = tracer.getImage(100,100); + // Test image of tracer for file 3730.ab1 + BufferedImage image = tracer.getImage(100, 100); assertNotNull(image); - - } @DisplayName("getTrace rejects invalid bases") @Test void testGetTraceThrowsCNFE() throws Exception { - assertThrows(CompoundNotFoundException.class, ()->tracer.getTrace("D")); + assertThrows(CompoundNotFoundException.class, () -> tracer.getTrace("D")); } - @ParameterizedTest - @ValueSource(strings = {"A","T","C", "G" }) - void testGetTrace(String base) throws Exception {; + @DisplayName("Traces are equal length for 4 nucleotides") + @ParameterizedTest(name="Base: {0}") + @ValueSource(strings = { "A", "T", "C", "G" }) + void testGetTrace(String base) throws Exception { assertEquals(EXPECTED_TRACE_LENGTH, tracer.getTrace(base).length); } } From 3669911f7f109833607be9b09691fa104e9197b2 Mon Sep 17 00:00:00 2001 From: Richard Adams Date: Sun, 4 Jul 2021 10:56:56 +0100 Subject: [PATCH 330/821] more formatting --- .../nbio/core/TestAmbiguityCompoundSet.java | 6 ++---- .../nbio/core/sequence/io/ABITracerTest.java | 15 ++++++++++----- 2 files changed, 12 insertions(+), 9 deletions(-) diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java b/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java index 9fad78d7b0..714f418280 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/TestAmbiguityCompoundSet.java @@ -20,7 +20,8 @@ */ package org.biojava.nbio.core; -import org.biojava.nbio.core.exceptions.CompoundNotFoundException; +import static org.junit.jupiter.api.Assertions.assertEquals; + import org.biojava.nbio.core.sequence.DNASequence; import org.biojava.nbio.core.sequence.RNASequence; import org.biojava.nbio.core.sequence.compound.AmbiguityDNACompoundSet; @@ -31,9 +32,6 @@ import org.biojava.nbio.core.sequence.template.Sequence; import org.biojava.nbio.core.sequence.transcription.DNAToRNATranslator; import org.junit.jupiter.api.Test; -import org.junit.jupiter.api.DisplayName; - -import static org.junit.jupiter.api.Assertions.assertEquals; /** * A Test case for https://github.com/biojava/biojava/issues/344 diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java index 3024940a07..be87905e04 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/sequence/io/ABITracerTest.java @@ -21,17 +21,22 @@ package org.biojava.nbio.core.sequence.io; -import static org.junit.jupiter.api.Assertions.*; -import org.junit.jupiter.api.*; -import org.junit.jupiter.params.provider.ValueSource; -import org.junit.jupiter.params.ParameterizedTest; +import static org.junit.jupiter.api.Assertions.assertArrayEquals; +import static org.junit.jupiter.api.Assertions.assertEquals; +import static org.junit.jupiter.api.Assertions.assertNotNull; +import static org.junit.jupiter.api.Assertions.assertThrows; +import static org.junit.jupiter.api.Assertions.assertTrue; import java.awt.image.BufferedImage; import java.io.File; import java.net.URL; -import java.util.Arrays; import org.biojava.nbio.core.exceptions.CompoundNotFoundException; +import org.junit.jupiter.api.BeforeEach; +import org.junit.jupiter.api.DisplayName; +import org.junit.jupiter.api.Test; +import org.junit.jupiter.params.ParameterizedTest; +import org.junit.jupiter.params.provider.ValueSource; /** * Test file 3730.ab1 is from https://github.com/biopython/biopython/blob/master/Tests/Abi/3730.ab1 The test data for From 704bda6c582d049dab109586fe0949e7b8e63ab2 Mon Sep 17 00:00:00 2001 From: Richard Adams Date: Sun, 4 Jul 2021 11:32:26 +0100 Subject: [PATCH 331/821] update junit3->junit4 test, remove doc references to ju3 --- .../nbio/structure/test/TestSECalignment.java | 16 +++++++++++----- .../test/align/ce/OptimalCECPMainTest.java | 8 +------- .../org/biojava/nbio/structure/ElementTest.java | 2 +- 3 files changed, 13 insertions(+), 13 deletions(-) diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/TestSECalignment.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/TestSECalignment.java index 6a9516251b..b8ec8ed89c 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/TestSECalignment.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/TestSECalignment.java @@ -22,7 +22,14 @@ */ package org.biojava.nbio.structure.test; -import junit.framework.TestCase; + +import static org.junit.Assert.assertEquals; +import static org.junit.Assert.assertNotNull; +import static org.junit.Assert.assertTrue; + +import java.io.InputStream; + +import org.biojava.nbio.core.util.StringManipulationHelper; import org.biojava.nbio.structure.Atom; import org.biojava.nbio.structure.align.StructureAlignment; import org.biojava.nbio.structure.align.StructureAlignmentFactory; @@ -33,9 +40,7 @@ import org.biojava.nbio.structure.align.xml.AFPChainXMLParser; import org.biojava.nbio.structure.test.align.fatcat.FlipAFPChainTest; import org.biojava.nbio.structure.test.util.StringManipulationTestsHelper; -import org.biojava.nbio.core.util.StringManipulationHelper; - -import java.io.InputStream; +import org.junit.Test; /** This test makes sure that the new representation of selenocysteins as SEC amino acids does not * affect the structure alignment results. @@ -43,8 +48,9 @@ * @author andreas * */ -public class TestSECalignment extends TestCase { +public class TestSECalignment { + @Test public void testOldSecOutput() throws Exception { String fileName = "/ce_1fdo.A_2iv2.X.out"; diff --git a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/align/ce/OptimalCECPMainTest.java b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/align/ce/OptimalCECPMainTest.java index bf7ee56be4..81eb35c9b9 100644 --- a/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/align/ce/OptimalCECPMainTest.java +++ b/biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/align/ce/OptimalCECPMainTest.java @@ -46,13 +46,7 @@ public class OptimalCECPMainTest { private AtomCache cache = new AtomCache(); - /* (non-Javadoc) - * @see junit.framework.TestCase#setUp() - */ - @Before - public void setUp() throws Exception { - } - + /** * Basic test that alignPermuted(..., 0) is equivalent to a normal CE alignment. * diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/ElementTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/ElementTest.java index 81ce22d087..7dd8cda993 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/ElementTest.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/ElementTest.java @@ -21,7 +21,7 @@ package org.biojava.nbio.structure; -import junit.framework.TestCase; + import org.junit.Assert; import org.junit.Test; From 3cc243e6660acc3d0ca98320d1863a58841c04ca Mon Sep 17 00:00:00 2001 From: Richard Adams Date: Fri, 9 Jul 2021 18:34:48 +0100 Subject: [PATCH 332/821] example of new nested test, with bug in SequenceTools#permuteCyclic detected and fixed --- .../biojava/nbio/core/util/SequenceTools.java | 15 ++++ .../nbio/core/util/SequenceToolsTest.java | 74 +++++++++++++++++++ 2 files changed, 89 insertions(+) create mode 100644 biojava-core/src/test/java/org/biojava/nbio/core/util/SequenceToolsTest.java diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/util/SequenceTools.java b/biojava-core/src/main/java/org/biojava/nbio/core/util/SequenceTools.java index f23d4e7417..2dd32af6c9 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/util/SequenceTools.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/util/SequenceTools.java @@ -50,6 +50,21 @@ public static String permuteCyclic(String string, int n) { return String.valueOf(p); } + /** + * Improved implementation that is generally 10-100x faster, and fixes some edge-case bugs. + * @param string The string to permute + * @param n The number of characters to permute by; can be positive or negative; values greater than the length of the array are acceptable + * @return + */ + public static String permuteCyclic2(String string, int n) { + String toMutate = string + string; + n = n % string.length(); + if (n < 0) { + n = string.length() + n; + } + return toMutate.substring(n, n + string.length()); + } + /** * Cyclically permute {@code array} forward by {@code n} elements. * @param array The original result; will not be changed diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/util/SequenceToolsTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/util/SequenceToolsTest.java new file mode 100644 index 0000000000..819c40e9b0 --- /dev/null +++ b/biojava-core/src/test/java/org/biojava/nbio/core/util/SequenceToolsTest.java @@ -0,0 +1,74 @@ +package org.biojava.nbio.core.util; + +import static org.junit.jupiter.api.Assertions.assertAll; +import static org.junit.jupiter.api.Assertions.assertEquals; +import static org.junit.jupiter.api.Assertions.assertTrue; + +import java.util.Random; + +import org.junit.jupiter.api.Disabled; +import org.junit.jupiter.api.DisplayName; +import org.junit.jupiter.api.Nested; +import org.junit.jupiter.api.Test; +import org.junit.jupiter.params.ParameterizedTest; +import org.junit.jupiter.params.provider.CsvSource; + +class SequenceToolsTest { + + String randomDNA(int n) { + String[] nucs = new String[] { "A", "T", "C", "G" }; + Random r = new Random(); + StringBuilder sb = new StringBuilder(); + for (int i = 0; i < n; i++) { + sb.append(nucs[r.nextInt(4)]); + } + return sb.toString(); + } + + @Nested + class PermuteCyclic { + + @ParameterizedTest + @CsvSource(value = { "ATCGT,1,TCGTA", "ATCGT,-1,TATCG", "ATCGT,0,ATCGT", "ATCGT,25,ATCGT","12345,1,23451" }) + void permuteCyclicBasic(String original, int n, String expected) { + assertEquals(expected, SequenceTools.permuteCyclic(original, n)); + } + + @ParameterizedTest + @CsvSource(value = { "ATCGT,CGTAT", "ATCGT,CGTAT" }) + @Disabled("fails with current implementation") + void permuteCycleIntMaxMin(String original, String expected) { + assertAll( + ()->assertEquals(expected, SequenceTools.permuteCyclic(original, Integer.MAX_VALUE)), + ()->assertEquals(expected, SequenceTools.permuteCyclic(original, Integer.MIN_VALUE)) + ); + } + + @ParameterizedTest + @CsvSource(value = { "ATCGT,CGTAT", "ATCGT,CGTAT" }) + @DisplayName("Edge case fixed") + void permuteCycleIntMaxMin2(String original, String expected) { + assertAll( + ()->assertEquals(expected, SequenceTools.permuteCyclic2(original, Integer.MAX_VALUE)), + ()->assertEquals(expected, SequenceTools.permuteCyclic2(original, Integer.MIN_VALUE)) + ); + } + + @Test + void permuteCyclicPerformance() { + String dna = randomDNA(10_000_000); + long start = System.currentTimeMillis(); + String rotated = SequenceTools.permuteCyclic(dna, 5_000_000); + long end = System.currentTimeMillis(); + System.err.println(end-start); + + long start2 = System.currentTimeMillis(); + String rotated2 = SequenceTools.permuteCyclic2(dna, 5_000_000); + long end2 = System.currentTimeMillis(); + System.err.println(end2-start2); + assertTrue((end-start)/(end2-start2) > 5); + } + + } + +} From 43fafd0a40a523422c1f8d16d7a2a0b504881a01 Mon Sep 17 00:00:00 2001 From: Richard Adams Date: Sat, 10 Jul 2021 21:41:39 +0100 Subject: [PATCH 333/821] add tests for other SequenceToolsMethods --- .gitignore | 1 + .../biojava/nbio/core/util/SequenceTools.java | 18 ++++ .../nbio/core/util/SequenceToolsTest.java | 95 +++++++++++++++++++ 3 files changed, 114 insertions(+) diff --git a/.gitignore b/.gitignore index 4c968aac08..89345576ab 100644 --- a/.gitignore +++ b/.gitignore @@ -2,6 +2,7 @@ .profile .settings .classpath +.factorypath .DS_Store .idea *.iml diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/util/SequenceTools.java b/biojava-core/src/main/java/org/biojava/nbio/core/util/SequenceTools.java index 2dd32af6c9..61f7e44135 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/util/SequenceTools.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/util/SequenceTools.java @@ -119,6 +119,23 @@ public static boolean isNucleotideSequence(String sequence) return true; } + /** + * Attempts to parse String as a DNA sequence first.
      + * If this fails it tries to parse as a ProteinSequence. + *
      + * This method does not attempt to create an RNASequence. + *

      + * Also, a sequence such as 'ATCGTA' which is both a + * peptide sequence and a DNA sequence, will always be returned + * as a DNA sequence. + *

      + *

      + * An empty string argument returns a ProteinSequence of length 0. + * A null argument throws a {@link NullPointerException} + * @param sequence + * @return Either a DNASequence or a ProteinSequence + * @throws CompoundNotFoundException + */ public Sequence getSequenceFromString(String sequence) throws CompoundNotFoundException { @@ -126,6 +143,7 @@ public Sequence getSequenceFromString(String sequence) throws CompoundNotFoun return new DNASequence(sequence); } else { return new ProteinSequence(sequence); + } } diff --git a/biojava-core/src/test/java/org/biojava/nbio/core/util/SequenceToolsTest.java b/biojava-core/src/test/java/org/biojava/nbio/core/util/SequenceToolsTest.java index 819c40e9b0..420e574c28 100644 --- a/biojava-core/src/test/java/org/biojava/nbio/core/util/SequenceToolsTest.java +++ b/biojava-core/src/test/java/org/biojava/nbio/core/util/SequenceToolsTest.java @@ -1,17 +1,25 @@ package org.biojava.nbio.core.util; +import static org.junit.Assert.assertThrows; import static org.junit.jupiter.api.Assertions.assertAll; import static org.junit.jupiter.api.Assertions.assertEquals; +import static org.junit.jupiter.api.Assertions.assertFalse; import static org.junit.jupiter.api.Assertions.assertTrue; import java.util.Random; +import org.biojava.nbio.core.exceptions.CompoundNotFoundException; +import org.biojava.nbio.core.sequence.ProteinSequence; +import org.biojava.nbio.core.sequence.template.Sequence; import org.junit.jupiter.api.Disabled; import org.junit.jupiter.api.DisplayName; import org.junit.jupiter.api.Nested; import org.junit.jupiter.api.Test; import org.junit.jupiter.params.ParameterizedTest; import org.junit.jupiter.params.provider.CsvSource; +import org.junit.jupiter.params.provider.EmptySource; +import org.junit.jupiter.params.provider.NullAndEmptySource; +import org.junit.jupiter.params.provider.NullSource; class SequenceToolsTest { @@ -68,7 +76,94 @@ void permuteCyclicPerformance() { System.err.println(end2-start2); assertTrue((end-start)/(end2-start2) > 5); } + } + + @Nested + class PercentNucleotideContent { + + @ParameterizedTest + @NullAndEmptySource + @DisplayName("percent nucleotide sequence returns 0 for null "+ + "or empty string") + void nucleotideContentInvalidValues(String empty){ + assertEquals(0, SequenceTools.percentNucleotideSequence(empty)); + } + + @Test + void nucleotideContentTest(){ + assertEquals(100, SequenceTools.percentNucleotideSequence("ATCGCAA")); + assertEquals(100, SequenceTools.percentNucleotideSequence("UUACG")); + assertEquals(100, SequenceTools.percentNucleotideSequence(randomDNA(1_000_000))); + assertEquals(50, SequenceTools.percentNucleotideSequence("123CCG")); + assertEquals(66, SequenceTools.percentNucleotideSequence("12TTAC")); assertEquals(0, SequenceTools.percentNucleotideSequence(" HH")); + assertEquals(0, SequenceTools.percentNucleotideSequence("actg")); + } + + @Test + void isNucleotideSequence () { + assertTrue(SequenceTools.isNucleotideSequence("AACGAA")); + assertFalse(SequenceTools.isNucleotideSequence("aacgaa")); + assertFalse(SequenceTools.isNucleotideSequence(" HH")); + } + @ParameterizedTest + @NullAndEmptySource + @DisplayName("isNucleotide is false for null "+ + "or empty string") + void isnucleotideInvalidValues(String empty){ + assertFalse(SequenceTools.isNucleotideSequence(empty)); + } } + @Nested + @DisplayName("SequenceFromString") + class SequenceFromString{ + SequenceTools tools = new SequenceTools(); + @Test + void acceptsUpperCaseDNA() throws CompoundNotFoundException { + Sequencenuc = tools.getSequenceFromString("ATCG"); + assertEquals(4, nuc.getLength()); + } + + @Test + void acceptsLowerCaseDNA() throws CompoundNotFoundException { + Sequencenuc = tools.getSequenceFromString("atcg"); + assertEquals(4, nuc.getLength()); + } + + @Test + void rejectsRNA()throws CompoundNotFoundException { + assertThrows(CompoundNotFoundException.class, + ()->tools.getSequenceFromString("AUCG")); + } + + @Test + void acceptsSingleLetterProtein()throws CompoundNotFoundException { + Sequence protein = tools.getSequenceFromString("HYDESS"); + assertEquals(6, protein.getLength()); + } + + @Test + void interpets3LetterAACodeAsSingleLetter()throws CompoundNotFoundException { + Sequence protein = tools.getSequenceFromString("AlaGlySer"); + assertEquals(9, protein.getLength()); + } + + @EmptySource + @ParameterizedTest + @DisplayName("empty string return 0-length protein sequence") + void emptyString(String empty) throws CompoundNotFoundException{ + Sequence protein = tools.getSequenceFromString(empty); + assertEquals(0, protein.getLength()); + assertTrue(protein instanceof ProteinSequence); + } + + @NullSource + @ParameterizedTest + @DisplayName("null string throws NPE") + void nullString(String nullStr) throws CompoundNotFoundException{ + assertThrows(NullPointerException.class, + ()-> tools.getSequenceFromString(nullStr)); + } + } } From 190b55fc016fe78a9d0d11295e2fbe03d5e146c9 Mon Sep 17 00:00:00 2001 From: Richard Adams Date: Wed, 21 Jul 2021 23:08:28 +0100 Subject: [PATCH 334/821] padleft/right tests --- .../core/util/StringManipulationHelper.java | 47 ++++++++++++++----- 1 file changed, 35 insertions(+), 12 deletions(-) diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/util/StringManipulationHelper.java b/biojava-core/src/main/java/org/biojava/nbio/core/util/StringManipulationHelper.java index f8aef6b35e..ca7edcb3b2 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/util/StringManipulationHelper.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/util/StringManipulationHelper.java @@ -23,6 +23,19 @@ */ package org.biojava.nbio.core.util; +import java.io.BufferedReader; +import java.io.ByteArrayInputStream; +import java.io.IOException; +import java.io.InputStream; +import java.io.InputStreamReader; +import java.util.AbstractCollection; +import java.util.Iterator; +import java.util.Scanner; + +import javax.xml.parsers.DocumentBuilder; +import javax.xml.parsers.DocumentBuilderFactory; +import javax.xml.parsers.ParserConfigurationException; + import org.slf4j.Logger; import org.slf4j.LoggerFactory; import org.w3c.dom.Document; @@ -31,14 +44,6 @@ import org.w3c.dom.Node; import org.xml.sax.SAXException; -import javax.xml.parsers.DocumentBuilder; -import javax.xml.parsers.DocumentBuilderFactory; -import javax.xml.parsers.ParserConfigurationException; -import java.io.*; -import java.util.AbstractCollection; -import java.util.Iterator; -import java.util.Scanner; - /** * A utility class for common {@link String} manipulation tasks. @@ -62,10 +67,6 @@ private StringManipulationHelper() { // to prevent instantiation } - - - - /** * @author andreas * @param stream @@ -174,14 +175,36 @@ public static boolean equalsToXml(String expected, String actual) { throw new UnsupportedOperationException("not yet implemented"); } + /** + * Adds padding to left of supplied string + * @param s The String to pad + * @param n an integer >= 1 + * @return The left-padded string. + * @throws IllegalArgumentException if n <= 0 + */ public static String padLeft(String s, int n) { + validatePadding(n); return String.format("%1$" + n + "s", s); } + /** + * Adds padding to right of supplied string + * @param s The String to pad + * @param n an integer >= 1 + * @return The right-padded string. + * @throws IllegalArgumentException if n <= 0 + */ public static String padRight(String s, int n) { + validatePadding(n); return String.format("%1$-" + n + "s", s); } + private static void validatePadding(int n) { + if (n <=0 ) { + throw new IllegalArgumentException("padding must be >= 1"); + } + } + public static String join(AbstractCollection s, String delimiter) { if (s == null || s.isEmpty()) return ""; Iterator iter = s.iterator(); From fda5184389db3e05b9d825e03ab0049b958af60a Mon Sep 17 00:00:00 2001 From: Richard Adams Date: Thu, 22 Jul 2021 09:12:01 +0100 Subject: [PATCH 335/821] tests and docs for convertStreamToString --- .../core/util/StringManipulationHelper.java | 22 +++-- .../util/StringManipulationHelperTest.java | 83 +++++++++++++++++++ 2 files changed, 97 insertions(+), 8 deletions(-) create mode 100644 biojava-core/src/test/java/org/biojava/nbio/core/util/StringManipulationHelperTest.java diff --git a/biojava-core/src/main/java/org/biojava/nbio/core/util/StringManipulationHelper.java b/biojava-core/src/main/java/org/biojava/nbio/core/util/StringManipulationHelper.java index ca7edcb3b2..88f100b4d2 100644 --- a/biojava-core/src/main/java/org/biojava/nbio/core/util/StringManipulationHelper.java +++ b/biojava-core/src/main/java/org/biojava/nbio/core/util/StringManipulationHelper.java @@ -68,9 +68,18 @@ private StringManipulationHelper() { } /** + * Converts an InputStream of text to a String, closing the stream + * before returning. + *

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.../java/demo/DemoShowValidationResults.java | 134 ------------------ 1 file changed, 134 deletions(-) delete mode 100644 biojava-structure-gui/src/main/java/demo/DemoShowValidationResults.java diff --git a/biojava-structure-gui/src/main/java/demo/DemoShowValidationResults.java b/biojava-structure-gui/src/main/java/demo/DemoShowValidationResults.java deleted file mode 100644 index 80001fd6bf..0000000000 --- a/biojava-structure-gui/src/main/java/demo/DemoShowValidationResults.java +++ /dev/null @@ -1,134 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - * created at Sep 18, 2013 - * Author: ap3 - */ - -package demo; - -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.align.gui.jmol.StructureAlignmentJmol; -import org.biojava.nbio.structure.StructureIO; -import org.biojava.nbio.structure.validation.*; - -import javax.xml.bind.JAXBContext; -import javax.xml.bind.Unmarshaller; -import java.io.InputStream; -import java.math.BigDecimal; -import java.math.BigInteger; -import java.util.List; -import java.util.zip.GZIPInputStream; - -public class DemoShowValidationResults { - - public static void main(String[] args){ - //String pdbId ="3zjr"; - String pdbId ="3vtq"; - showPdbValidation(pdbId); - } - - private static void showPdbValidation(String pdbId) { - try { - JAXBContext ctx = JAXBContext.newInstance(new Class[] {WwPDBValidationInformation.class}); - - Unmarshaller um = ctx.createUnmarshaller(); - - InputStream inStream = new GZIPInputStream(DemoShowValidationResults.class.getResourceAsStream("/"+pdbId+"-valdata.xml.gz")); - - WwPDBValidationInformation validationReport = (WwPDBValidationInformation) um.unmarshal(inStream); - - Entry entry = validationReport.getEntry(); - - System.out.println(pdbId + " " + entry.getPDBRevisionNumber() + - "\t Rfree: " + entry.getDCCRfree() + - "\t Clashscore " + entry.getClashscore() + - "\t % Ramachandran outliers: " + entry.getPercentRamaOutliers() + - "\t % RSRC outliers: " + entry.getPercentRSRZOutliers() ); - - - StructureAlignmentJmol jmolPanel = new StructureAlignmentJmol(); - - Structure s = StructureIO.getStructure(pdbId); - - jmolPanel.setStructure(s); - - jmolPanel.evalString("select *; color grey ; cartoon off ; "); - - for (ModelledSubgroup subgroup: validationReport.getModelledSubgroup()) { - - List clashes = subgroup.getClash(); - - String chainId = subgroup.getChain(); - //String resname = subgroup.getResname(); - String iCode = subgroup.getIcode(); - BigInteger resnum = subgroup.getResnum(); - //String altcode = subgroup.getAltcode(); - - - String pos = resnum.toString() ; - if ( iCode !=null && iCode.length()>0 && (! iCode.equals(" "))) - pos +="^" + iCode; - pos +=":" + chainId; - - BigDecimal base = new BigDecimal(0.5); - - for (Clash clash : clashes){ - String clashatom = clash.getAtom(); - BigDecimal clashmag = clash.getClashmag(); - // pos1 icode A chain X should become: - // 1^A:X - // [MET]508:A.CA/1 #3918 - // insertion code: [ASP]1^A:A.CA/1 #2 - - String clashj = pos + "." + clashatom; - String jmols = " select " + clashj + "; color red; spacefill " + (base.add(clashmag)) + ";" ; - System.out.println(jmols + " " + clashmag); - jmolPanel.evalString(jmols); - } - - - for (AngleOutlier angleout : subgroup.getAngleOutlier()) { - String atom0 = angleout.getAtom0(); - String atom1 = angleout.getAtom1(); - String atom2 = angleout.getAtom2(); - - String anglej = "select " + pos + "." + atom0+"," +pos+"." + atom1 +"," + pos +"." + atom2+"; color wireframe blue; wireframe 0.5;"; - //System.out.println(anglej); - jmolPanel.evalString(anglej); - } - - for (BondOutlier bondout : subgroup.getBondOutlier()){ - String atom0 = bondout.getAtom0(); - String atom1 = bondout.getAtom1(); - String bondj = "select " + pos + "." + atom0+"," +pos+"." + atom1 +"; color wireframe green; wireframe 0.5;"; - jmolPanel.evalString(bondj); - - } - } - - - } catch (Exception e){ - e.printStackTrace(); - - } - - } - -} From a621a1c1142a987a1856afb2915d1fe0b6f6c928 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Thu, 23 Jul 2020 21:42:06 -0700 Subject: [PATCH 203/821] Updating changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 377e6fea62..3570f5834b 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -10,6 +10,7 @@ BioJava 6.0.0 (future release) * Support for retrieving structure data with prefix "PDP:" (AtomCache, StructureIO) * RemoteScopInstallation consuming data provided by source.rcsb.org * The whole `org.biojava.nbio.structure.rcsb` package, a client for the now legacy RCSB PDB APIs (to be shutdown in Nov 2020) +* The whole `org.biojava.nbio.structure.validation` package BioJava 5.4.0 ============= From eb46527d0af581a3371ec1dd497f773d1b0fded8 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Fri, 31 Jul 2020 17:17:45 -0700 Subject: [PATCH 204/821] Removing another class for querying domains from legacy rcsb rest --- CHANGELOG.md | 3 +- .../structure/domain/PDBDomainProvider.java | 180 ------------------ 2 files changed, 2 insertions(+), 181 deletions(-) delete mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDBDomainProvider.java diff --git a/CHANGELOG.md b/CHANGELOG.md index 3570f5834b..4c54d137b9 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,8 +9,9 @@ BioJava 6.0.0 (future release) * PDP domain providers (depended on JFatCatClient) * Support for retrieving structure data with prefix "PDP:" (AtomCache, StructureIO) * RemoteScopInstallation consuming data provided by source.rcsb.org -* The whole `org.biojava.nbio.structure.rcsb` package, a client for the now legacy RCSB PDB APIs (to be shutdown in Nov 2020) +* The whole `org.biojava.nbio.structure.rcsb` package, a client for the legacy RCSB PDB APIs (to be shutdown in Nov 2020) * The whole `org.biojava.nbio.structure.validation` package +* The `org.biojava.nbio.structure.domain.PDBDomainProvider` class to pull domain definitions from legacy RCSB PDB APIs BioJava 5.4.0 ============= diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDBDomainProvider.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDBDomainProvider.java deleted file mode 100644 index adb7f2f6bf..0000000000 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/domain/PDBDomainProvider.java +++ /dev/null @@ -1,180 +0,0 @@ -/* - * BioJava development code - * - * This code may be freely distributed and modified under the - * terms of the GNU Lesser General Public Licence. This should - * be distributed with the code. If you do not have a copy, - * see: - * - * http://www.gnu.org/copyleft/lesser.html - * - * Copyright for this code is held jointly by the individual - * authors. These should be listed in @author doc comments. - * - * For more information on the BioJava project and its aims, - * or to join the biojava-l mailing list, visit the home page - * at: - * - * http://www.biojava.org/ - * - */ -package org.biojava.nbio.structure.domain; - -import org.biojava.nbio.structure.align.util.URLConnectionTools; -import org.xml.sax.Attributes; -import org.xml.sax.InputSource; -import org.xml.sax.SAXException; -import org.xml.sax.helpers.DefaultHandler; - -import javax.xml.parsers.ParserConfigurationException; -import javax.xml.parsers.SAXParser; -import javax.xml.parsers.SAXParserFactory; -import java.io.*; -import java.net.MalformedURLException; -import java.net.URL; -import java.util.SortedSet; -import java.util.TreeSet; - - -/** - * Class to fetch domains through the RCSB's REST API. - * - * @author Spencer Bliven - * - */ -public class PDBDomainProvider implements DomainProvider{ - public static final String DEFAULT_PDB_HOST = "http://www.rcsb.org"; - public static final String DEFAULT_PDB_API_URL = DEFAULT_PDB_HOST + "/pdb/rest/"; - - private String base; - private int cutoff; - - /** - */ - public PDBDomainProvider() { - this(DEFAULT_PDB_API_URL,40); - } - /** - * @param base - * @param cutoff - */ - public PDBDomainProvider(String base, int cutoff) { - this.base = base; - this.cutoff = cutoff; - } - - - /** - * Gets a list of domain representatives for a given PDB ID. - */ - @Override - public SortedSet getDomainNames(String name) { - if ( name.length() < 4) - throw new IllegalArgumentException("Can't interpret IDs that are shorter than 4 residues!"); - - String url = String.format("%srepresentativeDomains?cluster=%s&structureId=%s", - base, cutoff, name); - return requestRepresentativeDomains(url); - } - /** - * Gets a list of all domain representatives - */ - @Override - public SortedSet getRepresentativeDomains() { - String url = base + "representativeDomains?cluster="+ cutoff; - return requestRepresentativeDomains(url); - } - - /** - * Handles fetching and parsing XML from representativeDomains requests - * @param url Eg "http://www.rcsb.org/pdb/rest/representativeDomains" - * @return The names of all domain representatives - */ - private SortedSet requestRepresentativeDomains(String url) { - try { - - //System.out.println(url); - - final SortedSet results = new TreeSet(); - DefaultHandler handler = new DefaultHandler() { - @Override - public void startElement(String uri, String localName,String qName, - Attributes attributes) throws SAXException { - - //System.out.println("Start Element :" + qName); - - if (qName.equalsIgnoreCase("representative")) { - String name = attributes.getValue("name"); - results.add(name); - } - } - }; - handleRestRequest(url,handler); - return results; - } catch (MalformedURLException e) { - e.printStackTrace(); - } catch (IOException e) { - e.printStackTrace(); - } catch (SAXException e) { - e.printStackTrace(); - } catch (ParserConfigurationException e) { - e.printStackTrace(); - } - return null; - } - /** - * Handles fetching and processing REST requests. The actual XML parsing is handled - * by the handler, which is also in charge of storing interesting data. - * @param url REST request - * @param handler SAX XML parser - * @throws SAXException - * @throws IOException - * @throws ParserConfigurationException - */ - private static void handleRestRequest(String url, DefaultHandler handler) throws SAXException, IOException, ParserConfigurationException { - // Fetch XML stream - URL u = new URL(url); - InputStream response = URLConnectionTools.getInputStream(u); - InputSource xml = new InputSource(response); - - // Parse XML - SAXParserFactory factory = SAXParserFactory.newInstance(); - SAXParser saxParser = factory.newSAXParser(); - saxParser.parse(xml, handler); - - } - - - //TODO Add methods to access http://www.rcsb.org/pdb/rest/representatives - - public static void main(String[] args){ - PDBDomainProvider dom = new PDBDomainProvider(); - String name; - name = "2CDG"; - - SortedSet domains = dom.getDomainNames(name); - - System.out.println("Domains for "+name+":"); - for(String s : domains) { - System.out.println(s); - } - - SortedSet reprs = dom.getRepresentativeDomains(); - System.out.format("%nFound %d clusters.%n",reprs.size()); - - try { - File outfile = new File("/Users/blivens/Downloads/representativeDomainsJava.xml"); - Writer out = new BufferedWriter(new FileWriter(outfile)); - - for(String repr : reprs) { - out.write(String.format(" %n", repr)); - } - out.close(); - } catch (IOException e) { - e.printStackTrace(); - } - - } - - -} From 99b0a0cb903bde1397392e3fbb859f29c7f357a4 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Tue, 4 Aug 2020 07:57:10 -0700 Subject: [PATCH 205/821] Trying to trigger travis build again --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 4c54d137b9..c2e4833414 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,7 +9,7 @@ BioJava 6.0.0 (future release) * PDP domain providers (depended on JFatCatClient) * Support for retrieving structure data with prefix "PDP:" (AtomCache, StructureIO) * RemoteScopInstallation consuming data provided by source.rcsb.org -* The whole `org.biojava.nbio.structure.rcsb` package, a client for the legacy RCSB PDB APIs (to be shutdown in Nov 2020) +* The whole `org.biojava.nbio.structure.rcsb` package, a client for the legacy RCSB PDB APIs (disappearing in Nov 2020) * The whole `org.biojava.nbio.structure.validation` package * The `org.biojava.nbio.structure.domain.PDBDomainProvider` class to pull domain definitions from legacy RCSB PDB APIs From 5c02fd797e7c372b1d88504657b81681738fe730 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sat, 8 Aug 2020 15:25:27 -0700 Subject: [PATCH 206/821] Fixed test broken after carbohydrate remediation --- .../src/test/java/org/biojava/nbio/structure/TestBond.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java index 1140a14738..d1b7b24122 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestBond.java @@ -68,7 +68,7 @@ public static void setUp() { public void testStructConnModels() throws IOException, StructureException { Structure s = StructureIO.getStructure("1cdr"); Group groupOne = s.getPolyChain("A",1).getGroupByPDB(new ResidueNumber("A", 18, ' ')); - Group groupTwo = s.getNonPolyChain("B",1).getGroupByPDB(new ResidueNumber("A", 78, ' ')); + Group groupTwo = s.getNonPolyChain("B",1).getGroupByPDB(new ResidueNumber("B", 1, ' ')); Atom atomOne = groupOne.getAtom("ND2"); Atom atomTwo = groupTwo.getAtom("C1"); assertTrue(areBonded(atomOne, atomTwo)); From 984295197677242b83fa3b6e3e36cb4a1edb6e23 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Mon, 10 Aug 2020 21:34:56 -0700 Subject: [PATCH 207/821] fix potentially unsafe access in ciftools v0.10.1 --- .../biojava/nbio/structure/io/cif/CifFileConsumerImpl.java | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index c6d232d52a..8820ef230a 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -902,8 +902,10 @@ public void consumeStructConnType(StructConnType structConnType) { public void consumeStructKeywords(StructKeywords structKeywords) { StrColumn pdbxKeywords = structKeywords.getPdbxKeywords(); // TODO what is the correct format for these? - pdbHeader.setDescription(pdbxKeywords.values().collect(Collectors.joining(", "))); - pdbHeader.setClassification(pdbxKeywords.values().collect(Collectors.joining(", "))); + if (pdbxKeywords.isDefined()) { + pdbHeader.setDescription(pdbxKeywords.values().collect(Collectors.joining(", "))); + pdbHeader.setClassification(pdbxKeywords.values().collect(Collectors.joining(", "))); + } } @Override From b3221cfb59634a7ff060d07206aeab24ad91d573 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 11 Aug 2020 10:39:05 -0700 Subject: [PATCH 208/821] bump to Java 11 ciftools release --- biojava-structure/pom.xml | 2 +- .../biojava/nbio/structure/io/cif/CifFileConsumerImpl.java | 5 +++-- 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index 9dd47ccef7..a18a40f80d 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -21,7 +21,7 @@ org.rcsb ciftools-java - 0.10.1 + 2.0.2 org.rcsb diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 8820ef230a..7a8fae1e5d 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -903,8 +903,9 @@ public void consumeStructKeywords(StructKeywords structKeywords) { StrColumn pdbxKeywords = structKeywords.getPdbxKeywords(); // TODO what is the correct format for these? if (pdbxKeywords.isDefined()) { - pdbHeader.setDescription(pdbxKeywords.values().collect(Collectors.joining(", "))); - pdbHeader.setClassification(pdbxKeywords.values().collect(Collectors.joining(", "))); + String keywords = pdbxKeywords.values().collect(Collectors.joining(", ")); + pdbHeader.setDescription(keywords); + pdbHeader.setClassification(keywords); } } From e2b9e5a84b36073888d4afe2dd591ea9f2ab771d Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Tue, 11 Aug 2020 19:53:36 -0700 Subject: [PATCH 209/821] move to ciftools release that supports JDK 8 --- biojava-structure/pom.xml | 4 ++-- pom.xml | 2 ++ 2 files changed, 4 insertions(+), 2 deletions(-) diff --git a/biojava-structure/pom.xml b/biojava-structure/pom.xml index a18a40f80d..87b34d4dcb 100644 --- a/biojava-structure/pom.xml +++ b/biojava-structure/pom.xml @@ -20,8 +20,8 @@ org.rcsb - ciftools-java - 2.0.2 + ${ciftools.artifact} + ${ciftools.version} org.rcsb diff --git a/pom.xml b/pom.xml index 598cbe0a8b..274c482a7a 100644 --- a/pom.xml +++ b/pom.xml @@ -43,6 +43,8 @@ 1.0.9 1.7.30 2.13.3 + ciftools-java-jdk8 + 2.0.2 scm:git:git://github.com/biojava/biojava.git From db3020600cd00c9dc153d4ee1db6a5118e2e7629 Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Wed, 12 Aug 2020 09:42:08 -0700 Subject: [PATCH 210/821] adapt TestMMCIFWriting for ciftools-based impl --- .../structure/io/cif/CifFileSupplierTest.java | 192 ++++++++++++++++++ 1 file changed, 192 insertions(+) create mode 100644 biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierTest.java diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierTest.java new file mode 100644 index 0000000000..09b5017300 --- /dev/null +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierTest.java @@ -0,0 +1,192 @@ +package org.biojava.nbio.structure.io.cif; + +import org.biojava.nbio.structure.AminoAcidImpl; +import org.biojava.nbio.structure.Atom; +import org.biojava.nbio.structure.AtomImpl; +import org.biojava.nbio.structure.Chain; +import org.biojava.nbio.structure.ChainImpl; +import org.biojava.nbio.structure.Element; +import org.biojava.nbio.structure.EntityInfo; +import org.biojava.nbio.structure.Group; +import org.biojava.nbio.structure.ResidueNumber; +import org.biojava.nbio.structure.Structure; +import org.biojava.nbio.structure.StructureImpl; +import org.biojava.nbio.structure.StructureTools; +import org.biojava.nbio.structure.io.CifFileReader; +import org.biojava.nbio.structure.io.FileParsingParameters; +import org.junit.Test; + +import java.io.File; +import java.io.FileWriter; +import java.io.IOException; +import java.util.Arrays; + +import static org.junit.Assert.assertEquals; +import static org.junit.Assert.assertNotNull; + +public class CifFileSupplierTest { + @Test + public void test1SMT() throws IOException { + // an x-ray structure + testRoundTrip("1SMT"); + } + + @Test + public void test2N3J() throws IOException { + // an NMR structure (multimodel) with 2 chains + testRoundTrip("2N3J"); + } + + @Test + public void test1A2C() throws IOException { + // a structure with insertion codes + testRoundTrip("1A2C"); + } + + private static void testRoundTrip(String pdbId) throws IOException { + CifFileReader reader = new CifFileReader(); + FileParsingParameters fileParsingParams = new FileParsingParameters(); + fileParsingParams.setAlignSeqRes(true); + reader.setFileParsingParameters(fileParsingParams); + + Structure originalStruct = reader.getStructureById(pdbId); + + File outputFile = File.createTempFile("biojava_testing_", ".cif"); + outputFile.deleteOnExit(); + + FileWriter fw = new FileWriter(outputFile); + fw.write(originalStruct.toMMCIF()); + fw.close(); + + Structure readStruct = reader.getStructure(outputFile); + + assertNotNull(readStruct); + + assertEquals(originalStruct.getChains().size(), readStruct.getChains().size()); + + assertEquals(originalStruct.nrModels(), readStruct.nrModels()); + + for (int i=0; i l.startsWith("ATOM")).count(); + assertNotNull(mmcif); + assertEquals(4, atomLines); + } + + private static Structure createDummyStructure() { + Group g = new AminoAcidImpl(); + Atom a = getAtom(1, 1, 1, 1); + g.addAtom(a); + g.setResidueNumber(new ResidueNumber("A", 1, null)); + Group altLocG = new AminoAcidImpl(); + Atom a2 = getAtom(2, 2, 2, 2); + altLocG.addAtom(a2); + altLocG.setResidueNumber(new ResidueNumber("A", 1, null)); + + g.addAltLoc(altLocG); + + Chain c1 = new ChainImpl(); + c1.addGroup(g); + c1.setId("A"); + EntityInfo entityInfo = new EntityInfo(); + entityInfo.setMolId(1); + entityInfo.addChain(c1); + c1.setEntityInfo(entityInfo); + + Group gc2 = new AminoAcidImpl(); + Atom ac2 = getAtom(3, 3, 3, 3); + gc2.addAtom(ac2); + gc2.setResidueNumber(new ResidueNumber("A_1", 1, null)); + + Group altLocGc2 = new AminoAcidImpl(); + Atom ac22 = getAtom(4, 4, 4, 4); + altLocGc2.addAtom(ac22); + altLocGc2.setResidueNumber(new ResidueNumber("A_1", 1, null)); + + gc2.addAltLoc(altLocGc2); + + Chain c2 = new ChainImpl(); + c2.addGroup(gc2); + c2.setId("A_1"); + c2.setEntityInfo(entityInfo); + entityInfo.addChain(c2); + + Structure s = new StructureImpl(); + s.addChain(c1); + s.addChain(c2); + return s; + } + + private static Atom getAtom(int id, double x, double y, double z) { + Atom a = new AtomImpl(); + a.setX(x); + a.setY(y); + a.setZ(z); + a.setPDBserial(id); + a.setName("CA"); + a.setElement(Element.C); + return a; + } +} \ No newline at end of file From 937c37e86f3297338df33ad0d751a07a8d0b6d7e Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Wed, 12 Aug 2020 16:15:55 -0700 Subject: [PATCH 211/821] remove redundant test --- .../structure/io/cif/CifFileSupplierTest.java | 192 ------------------ 1 file changed, 192 deletions(-) delete mode 100644 biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierTest.java diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierTest.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierTest.java deleted file mode 100644 index 09b5017300..0000000000 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/cif/CifFileSupplierTest.java +++ /dev/null @@ -1,192 +0,0 @@ -package org.biojava.nbio.structure.io.cif; - -import org.biojava.nbio.structure.AminoAcidImpl; -import org.biojava.nbio.structure.Atom; -import org.biojava.nbio.structure.AtomImpl; -import org.biojava.nbio.structure.Chain; -import org.biojava.nbio.structure.ChainImpl; -import org.biojava.nbio.structure.Element; -import org.biojava.nbio.structure.EntityInfo; -import org.biojava.nbio.structure.Group; -import org.biojava.nbio.structure.ResidueNumber; -import org.biojava.nbio.structure.Structure; -import org.biojava.nbio.structure.StructureImpl; -import org.biojava.nbio.structure.StructureTools; -import org.biojava.nbio.structure.io.CifFileReader; -import org.biojava.nbio.structure.io.FileParsingParameters; -import org.junit.Test; - -import java.io.File; -import java.io.FileWriter; -import java.io.IOException; -import java.util.Arrays; - -import static org.junit.Assert.assertEquals; -import static org.junit.Assert.assertNotNull; - -public class CifFileSupplierTest { - @Test - public void test1SMT() throws IOException { - // an x-ray structure - testRoundTrip("1SMT"); - } - - @Test - public void test2N3J() throws IOException { - // an NMR structure (multimodel) with 2 chains - testRoundTrip("2N3J"); - } - - @Test - public void test1A2C() throws IOException { - // a structure with insertion codes - testRoundTrip("1A2C"); - } - - private static void testRoundTrip(String pdbId) throws IOException { - CifFileReader reader = new CifFileReader(); - FileParsingParameters fileParsingParams = new FileParsingParameters(); - fileParsingParams.setAlignSeqRes(true); - reader.setFileParsingParameters(fileParsingParams); - - Structure originalStruct = reader.getStructureById(pdbId); - - File outputFile = File.createTempFile("biojava_testing_", ".cif"); - outputFile.deleteOnExit(); - - FileWriter fw = new FileWriter(outputFile); - fw.write(originalStruct.toMMCIF()); - fw.close(); - - Structure readStruct = reader.getStructure(outputFile); - - assertNotNull(readStruct); - - assertEquals(originalStruct.getChains().size(), readStruct.getChains().size()); - - assertEquals(originalStruct.nrModels(), readStruct.nrModels()); - - for (int i=0; i l.startsWith("ATOM")).count(); - assertNotNull(mmcif); - assertEquals(4, atomLines); - } - - private static Structure createDummyStructure() { - Group g = new AminoAcidImpl(); - Atom a = getAtom(1, 1, 1, 1); - g.addAtom(a); - g.setResidueNumber(new ResidueNumber("A", 1, null)); - Group altLocG = new AminoAcidImpl(); - Atom a2 = getAtom(2, 2, 2, 2); - altLocG.addAtom(a2); - altLocG.setResidueNumber(new ResidueNumber("A", 1, null)); - - g.addAltLoc(altLocG); - - Chain c1 = new ChainImpl(); - c1.addGroup(g); - c1.setId("A"); - EntityInfo entityInfo = new EntityInfo(); - entityInfo.setMolId(1); - entityInfo.addChain(c1); - c1.setEntityInfo(entityInfo); - - Group gc2 = new AminoAcidImpl(); - Atom ac2 = getAtom(3, 3, 3, 3); - gc2.addAtom(ac2); - gc2.setResidueNumber(new ResidueNumber("A_1", 1, null)); - - Group altLocGc2 = new AminoAcidImpl(); - Atom ac22 = getAtom(4, 4, 4, 4); - altLocGc2.addAtom(ac22); - altLocGc2.setResidueNumber(new ResidueNumber("A_1", 1, null)); - - gc2.addAltLoc(altLocGc2); - - Chain c2 = new ChainImpl(); - c2.addGroup(gc2); - c2.setId("A_1"); - c2.setEntityInfo(entityInfo); - entityInfo.addChain(c2); - - Structure s = new StructureImpl(); - s.addChain(c1); - s.addChain(c2); - return s; - } - - private static Atom getAtom(int id, double x, double y, double z) { - Atom a = new AtomImpl(); - a.setX(x); - a.setY(y); - a.setZ(z); - a.setPDBserial(id); - a.setName("CA"); - a.setElement(Element.C); - return a; - } -} \ No newline at end of file From 35594ef4d63cf32cb9c3fe2ee79bd16ba8577462 Mon Sep 17 00:00:00 2001 From: Jean-Philippe Martin Date: Wed, 16 Sep 2020 17:35:23 -0700 Subject: [PATCH 212/821] Add GFF3Reader overload that accepts Path The String-based functions are still here, and almost all the code is shared. The Path overload allows us to read files via NIO providers, such as e.g. the GCS NIO provider for reading files on Google Cloud Storage. --- .../nbio/genome/parsers/gff/GFF3Reader.java | 15 +++++++++++++-- 1 file changed, 13 insertions(+), 2 deletions(-) diff --git a/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java b/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java index a0f5b573f8..e00fe42547 100644 --- a/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java +++ b/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java @@ -20,6 +20,9 @@ */ package org.biojava.nbio.genome.parsers.gff; +import java.nio.file.Files; +import java.nio.file.Path; +import java.nio.file.Paths; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -67,11 +70,15 @@ public class GFF3Reader { */ public static FeatureList read(String filename, List indexes) throws IOException { - logger.info("Reading: {}", filename); + return read(Paths.get(filename), indexes); + } + + public static FeatureList read(Path path, List indexes) throws IOException { + logger.info("Reading: {}", path.toString()); FeatureList features = new FeatureList(); features.addIndexes(indexes); - BufferedReader br = new BufferedReader(new FileReader(filename)); + BufferedReader br = Files.newBufferedReader(path); String s; for (s = br.readLine(); null != s; s = br.readLine()) { @@ -103,6 +110,10 @@ public static FeatureList read(String filename) throws IOException { return read(filename,new ArrayList(0)); } + public static FeatureList read(Path path) throws IOException { + return read(path,new ArrayList(0)); + } + /** * create Feature from line of GFF file From ac475b70cc0e35140d789a0e7884afa70698ebd9 Mon Sep 17 00:00:00 2001 From: Jean-Philippe Martin Date: Wed, 16 Sep 2020 17:39:02 -0700 Subject: [PATCH 213/821] Add Javadoc to the overload --- .../org/biojava/nbio/genome/parsers/gff/GFF3Reader.java | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java b/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java index e00fe42547..45cb1ed2c3 100644 --- a/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java +++ b/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java @@ -68,11 +68,17 @@ public class GFF3Reader { * @return A FeatureList. * @throws IOException Something went wrong -- check exception detail message. */ - public static FeatureList read(String filename, List indexes) throws IOException { return read(Paths.get(filename), indexes); } + /** + * Read a file into a FeatureList. Each line of the file becomes one Feature object. + * + * @param path The path to the GFF file. + * @return A FeatureList. + * @throws IOException Something went wrong -- check exception detail message. + */ public static FeatureList read(Path path, List indexes) throws IOException { logger.info("Reading: {}", path.toString()); From f8148e9953b07d53fdaabcfe5d5f3f7bebad292b Mon Sep 17 00:00:00 2001 From: Jean-Philippe Martin Date: Wed, 16 Sep 2020 17:43:16 -0700 Subject: [PATCH 214/821] Remove unused import --- .../java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java | 1 - 1 file changed, 1 deletion(-) diff --git a/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java b/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java index 45cb1ed2c3..e1a5f03417 100644 --- a/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java +++ b/biojava-genome/src/main/java/org/biojava/nbio/genome/parsers/gff/GFF3Reader.java @@ -27,7 +27,6 @@ import org.slf4j.LoggerFactory; import java.io.BufferedReader; -import java.io.FileReader; import java.io.IOException; import java.util.ArrayList; import java.util.List; From 6c10910f7af7aeb96787c3d29350a789839e9943 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 12 Oct 2020 17:34:02 +0000 Subject: [PATCH 215/821] Bump junit from 4.12 to 4.13.1 Bumps [junit](https://github.com/junit-team/junit4) from 4.12 to 4.13.1. - [Release notes](https://github.com/junit-team/junit4/releases) - [Changelog](https://github.com/junit-team/junit4/blob/main/doc/ReleaseNotes4.12.md) - [Commits](https://github.com/junit-team/junit4/compare/r4.12...r4.13.1) Signed-off-by: dependabot[bot] --- pom.xml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pom.xml b/pom.xml index 274c482a7a..411aa6d1be 100644 --- a/pom.xml +++ b/pom.xml @@ -480,7 +480,7 @@ junit junit - 4.12 + 4.13.1 test From 62aebdcff6ab1c076b771efd4947aebc8ef76e95 Mon Sep 17 00:00:00 2001 From: Gerrit Grunwald Date: Wed, 14 Oct 2020 11:06:02 +0200 Subject: [PATCH 216/821] Added github actions After each push the build will be tested on Ubuntu 18.04, latest Mac OSX and Windows 2016 using JDK 11 --- .github/workflows/ci.yaml | 26 ++++++++++++++++++++++++++ 1 file changed, 26 insertions(+) create mode 100644 .github/workflows/ci.yaml diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml new file mode 100644 index 0000000000..b64e1fefb2 --- /dev/null +++ b/.github/workflows/ci.yaml @@ -0,0 +1,26 @@ +--- +name: Java CI + +on: [push] + +jobs: + test: + runs-on: ${{ matrix.os }} + strategy: + matrix: + os: [ubuntu-18.04, macOS-latest, windows-2016] + java: [11] + fail-fast: false + max-parallel: 4 + name: Test JDK ${{ matrix.java }}, ${{ matrix.os }} + + steps: + - uses: actions/checkout@v1 + - name: Set up JDK + uses: actions/setup-java@v1 + with: + java-version: ${{ matrix.java }} + - name: Test with Maven + run: mvn test -B --file pom.xml + +... \ No newline at end of file From 14d8c20484eb5af69631693702db425e38f00aa0 Mon Sep 17 00:00:00 2001 From: Gerrit Grunwald Date: Mon, 19 Oct 2020 15:15:31 +0200 Subject: [PATCH 217/821] instead of running the tests check the packaging first --- .github/workflows/ci.yaml | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml index b64e1fefb2..55f99973dd 100644 --- a/.github/workflows/ci.yaml +++ b/.github/workflows/ci.yaml @@ -21,6 +21,7 @@ jobs: with: java-version: ${{ matrix.java }} - name: Test with Maven - run: mvn test -B --file pom.xml + #run: mvn test --batch-mode verify + run: mvn verify ... \ No newline at end of file From d58615d251c626bd3830ce23a72d3bb119cb6838 Mon Sep 17 00:00:00 2001 From: Gerrit Grunwald Date: Mon, 19 Oct 2020 15:42:26 +0200 Subject: [PATCH 218/821] Removed windows-2016 --- .github/workflows/ci.yaml | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml index 55f99973dd..80fcc2c29f 100644 --- a/.github/workflows/ci.yaml +++ b/.github/workflows/ci.yaml @@ -8,7 +8,7 @@ jobs: runs-on: ${{ matrix.os }} strategy: matrix: - os: [ubuntu-18.04, macOS-latest, windows-2016] + os: [ubuntu-18.04, macOS-latest] java: [11] fail-fast: false max-parallel: 4 @@ -21,7 +21,6 @@ jobs: with: java-version: ${{ matrix.java }} - name: Test with Maven - #run: mvn test --batch-mode verify run: mvn verify ... \ No newline at end of file From 341f4d10365d8963aa83f5d2ec3612490dba0804 Mon Sep 17 00:00:00 2001 From: Shilpa Rani Date: Sun, 1 Nov 2020 20:55:14 -0600 Subject: [PATCH 219/821] Fixing the flakiness caused by testGetProteinSequenceForStructure --- .../org/biojava/nbio/structure/io/StructureSequenceMatcher.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/StructureSequenceMatcher.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/StructureSequenceMatcher.java index 3c884bbc2d..e3c70452a7 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/StructureSequenceMatcher.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/StructureSequenceMatcher.java @@ -119,7 +119,7 @@ public static ProteinSequence getProteinSequenceForStructure(Structure struct, M for(Chain chain : struct.getChains()) { List groups = chain.getAtomGroups(); - Map chainIndexPosition = new HashMap(); + Map chainIndexPosition = new LinkedHashMap(); int prevLen = seqStr.length(); // get the sequence for this chain From a6e15ce75dadb7511f6f962330f1d0fcd0d1886f Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Mon, 2 Nov 2020 16:35:47 -0800 Subject: [PATCH 220/821] Removing DSSPParser.fetch after RCSB deprecation --- .../src/main/java/demo/DemoLoadSecStruc.java | 8 ------ .../nbio/structure/io/mmtf/MmtfUtils.java | 8 +----- .../nbio/structure/secstruc/DSSPParser.java | 28 ------------------- .../structure/secstruc/TestDSSPParser.java | 10 ++----- 4 files changed, 3 insertions(+), 51 deletions(-) diff --git a/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java b/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java index 8684ba1257..6ab26831b2 100644 --- a/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java +++ b/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java @@ -27,7 +27,6 @@ import org.biojava.nbio.structure.StructureException; import org.biojava.nbio.structure.align.util.AtomCache; import org.biojava.nbio.structure.io.FileParsingParameters; -import org.biojava.nbio.structure.secstruc.DSSPParser; import org.biojava.nbio.structure.secstruc.SecStrucCalc; import org.biojava.nbio.structure.secstruc.SecStrucInfo; import org.biojava.nbio.structure.secstruc.SecStrucTools; @@ -64,13 +63,6 @@ public static void main(String[] args) throws IOException, System.out.println("Author's assignment: "); printSecStruc(s); - // If the more detailed DSSP prediction is required call this - DSSPParser.fetch(pdbID, s, true); - - // Print the assignment residue by residue - System.out.println("DSSP assignment: "); - printSecStruc(s); - // finally use BioJava's built in DSSP-like secondary structure assigner SecStrucCalc secStrucCalc = new SecStrucCalc(); diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java index bbd34c9610..a571813995 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java @@ -164,13 +164,7 @@ public static void calculateDsspSecondaryStructure(Structure bioJavaStruct) { ssp.calculate(bioJavaStruct, true); } catch(StructureException e) { - LOGGER.warn("Could not calculate secondary structure (error {}). Will try to get a DSSP file from the RCSB web server instead.", e.getMessage()); - - try { - DSSPParser.fetch(bioJavaStruct.getPDBCode(), bioJavaStruct, true); //download from PDB the DSSP result - } catch(Exception bige){ - LOGGER.warn("Could not get a DSSP file from RCSB web server. There will not be secondary structure assignment for this structure ({}). Error: {}", bioJavaStruct.getPDBCode(), bige.getMessage()); - } + LOGGER.warn("Could not calculate secondary structure (error {}). Secondary structure annotation will be missing.", e.getMessage()); } } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/secstruc/DSSPParser.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/secstruc/DSSPParser.java index 519aef812d..629dd66715 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/secstruc/DSSPParser.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/secstruc/DSSPParser.java @@ -28,10 +28,8 @@ import java.io.InputStreamReader; import java.io.Reader; import java.io.StringReader; -import java.net.URL; import java.util.ArrayList; import java.util.List; -import java.util.zip.GZIPInputStream; import org.biojava.nbio.structure.Group; import org.biojava.nbio.structure.ResidueNumber; @@ -99,32 +97,6 @@ public static List parseFile(String dsspPath, return generalParse(reader, structure, assign); } - /** - * Fetch and parse the DSSP file of the specified pdb code - * from the PDB web server and return the secondary structure - * annotation as a List of {@link SecStrucState} objects. - * - * @param pdb path to the DSSP file to parse - * @param structure Structure object associated to the dssp - * @param assign assigns the SS to the structure if true - * @return a List of SS annotation objects - * @throws StructureException - * @throws IOException - */ - public static List fetch(String pdb, - Structure structure, boolean assign) - throws IOException, StructureException { - - URL url = new URL("http://files.rcsb.org/dssp/" + - pdb.toLowerCase().substring(1, 3) + "/" + - pdb.toLowerCase() + "/" + - pdb.toLowerCase() + ".dssp.gz"); - InputStream in = new GZIPInputStream(url.openStream()); - Reader read = new InputStreamReader(in); - BufferedReader reader = new BufferedReader(read); - return generalParse(reader, structure, assign); - } - /** * Parse a DSSP format String and return the secondary structure * annotation as a List of {@link SecStrucState} objects. diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/secstruc/TestDSSPParser.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/secstruc/TestDSSPParser.java index d79db697d7..57612fc8d6 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/secstruc/TestDSSPParser.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/secstruc/TestDSSPParser.java @@ -56,10 +56,7 @@ public void testDSSPParser() throws IOException, StructureException { List file = DSSPParser.parseInputStream(new GZIPInputStream( this.getClass().getResourceAsStream("/org/biojava/nbio/structure/secstruc/"+name+".dssp.gz")), s, false); - // Test fetching from PDB - List pdb = DSSPParser.fetch(name, s, false); - - // Test predicting, writting and parsing back + // Test predicting, writing and parsing back SecStrucCalc sec = new SecStrucCalc(); List pred = sec.calculate(s, false); @@ -68,13 +65,10 @@ public void testDSSPParser() throws IOException, StructureException { assertTrue( "SS assignment lengths do not match", - file.size() == pdb.size() - && pred.size() == parseBack.size() + pred.size() == parseBack.size() && pred.size() == file.size()); for (int i = 0; i < file.size(); i++) { - assertEquals("SS assignment position " + (i + 1) - + " does not match", file.get(i), pdb.get(i)); assertEquals("SS assignment position " + (i + 1) + " does not match", pred.get(i), parseBack.get(i)); assertEquals("SS assignment position " + (i + 1) From 7c888429f5eb0e76def176f87eeb4ac2c992c2cb Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Mon, 2 Nov 2020 16:39:29 -0800 Subject: [PATCH 221/821] Fixing potential bugs --- .../nbio/structure/secstruc/DSSPParser.java | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/secstruc/DSSPParser.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/secstruc/DSSPParser.java index 629dd66715..69e9cd6d67 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/secstruc/DSSPParser.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/secstruc/DSSPParser.java @@ -155,16 +155,16 @@ private static List generalParse(BufferedReader reader, //Parse the Bridge partners - TODO parallel or antiparallel? String bp = line.substring(25,29).trim(); - if (bp != "") { + if (!bp.equals("")) { BetaBridge bb = new BetaBridge( - index, Integer.valueOf(bp), BridgeType.parallel); + index, Integer.parseInt(bp), BridgeType.parallel); ss.addBridge(bb); } else logger.warn("Unable to parse beta Bridge for resn "+index); bp = line.substring(29,33).trim(); - if (bp != "") { + if (!bp.equals("")) { BetaBridge bb = new BetaBridge( - index, Integer.valueOf(bp), BridgeType.parallel); + index, Integer.parseInt(bp), BridgeType.parallel); ss.addBridge(bb); } else logger.warn("Unable to parse beta Bridge for resn "+index); @@ -175,7 +175,7 @@ private static List generalParse(BufferedReader reader, int b = a + 8; String val = line.substring(a,b).trim(); - if (val == "") { + if (val.equals("")) { logger.warn("Unable to parse energy for resn "+index); continue; } @@ -184,7 +184,7 @@ private static List generalParse(BufferedReader reader, int partner = Integer.parseInt(p[0]); if (partner != 0) partner += index; - double energy = Double.valueOf(p[1]) * 1000.0; + double energy = Double.parseDouble(p[1]) * 1000.0; switch(i){ case 0: @@ -208,15 +208,15 @@ private static List generalParse(BufferedReader reader, //Angle properties String val = line.substring(91,97).trim(); - if (val != "") ss.setKappa(Float.valueOf(val)); + if (!val.equals("")) ss.setKappa(Float.parseFloat(val)); else logger.warn("Unable to parse kappa for resn "+index); val = line.substring(103,109).trim(); - if (val != "") ss.setPhi(Float.valueOf(val)); + if (!val.equals("")) ss.setPhi(Float.parseFloat(val)); else logger.warn("Unable to parse phi for resn "+index); val = line.substring(109,116).trim(); - if (val != "") ss.setPsi(Float.valueOf(val)); + if (!val.equals("")) ss.setPsi(Float.parseFloat(val)); else logger.warn("Unable to parse psi for resn "+index); if (assign) parent.setProperty(Group.SEC_STRUC, ss); From b23e67bf8bc1a85347749594d261760a8b3fc0ac Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Mon, 2 Nov 2020 16:43:57 -0800 Subject: [PATCH 222/821] Updating changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index c2e4833414..00a530e652 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -12,6 +12,7 @@ BioJava 6.0.0 (future release) * The whole `org.biojava.nbio.structure.rcsb` package, a client for the legacy RCSB PDB APIs (disappearing in Nov 2020) * The whole `org.biojava.nbio.structure.validation` package * The `org.biojava.nbio.structure.domain.PDBDomainProvider` class to pull domain definitions from legacy RCSB PDB APIs +* Support for automatically fetching dssp files from RCSB (`org.biojava.nbio.structure.secstruc.DSSPParser.fetch()`) BioJava 5.4.0 ============= From 57c219b7e9a39ac09d7c32b1e8ea535649d362da Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Wed, 11 Nov 2020 09:33:58 -0800 Subject: [PATCH 223/821] Removing a test that now fails due to a deprecation in RCSB PDB --- .../TestDownloadChemCompProvider.java | 34 ------------------- 1 file changed, 34 deletions(-) diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestDownloadChemCompProvider.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestDownloadChemCompProvider.java index bc2a8dcd41..2fc5ab2a66 100644 --- a/biojava-structure/src/test/java/org/biojava/nbio/structure/TestDownloadChemCompProvider.java +++ b/biojava-structure/src/test/java/org/biojava/nbio/structure/TestDownloadChemCompProvider.java @@ -21,7 +21,6 @@ package org.biojava.nbio.structure; import org.biojava.nbio.core.util.FlatFileCache; -import org.biojava.nbio.structure.io.LocalPDBDirectory; import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider; import org.biojava.nbio.structure.io.mmcif.model.ChemComp; import org.junit.Test; @@ -47,39 +46,6 @@ public void testProtectedIDs(){ assertEquals(cc.getId(), id); } - @Test - public void testRedirectWorks() { - // since August 2017, RCSB is redirecting: - // http://rcsb.org/pdb/files/ligand/HEM.cif ----> http://files.org/ligands/HEM.cif - // see #703 - - File file = new File(DownloadChemCompProvider.getLocalFileName("HEM")); - file.delete(); - - DownloadChemCompProvider prov = new DownloadChemCompProvider(); - - DownloadChemCompProvider.serverBaseUrl = "http://www.rcsb.org/pdb/files/ligand/"; - - ChemComp cc = prov.getChemComp("HEM"); - - //System.out.println(file.toString()); - - assertTrue(file.exists()); - - // just in case the we did get garbage, let's clean up - file.delete(); - - // very important: we have a memory cache of files, we need to reset it not to pollute the cache for later tests - FlatFileCache.clear(); - - assertNotNull(cc); - - assertNotNull(cc.getName()); - - // reset to default URL or otherwise we could affect other tests - DownloadChemCompProvider.serverBaseUrl = DownloadChemCompProvider.DEFAULT_SERVER_URL; - } - @Test public void testWeDontCacheGarbage() { // see #703 From 9b2335e97da0789bd69ba3ea66022f838dda3fda Mon Sep 17 00:00:00 2001 From: Vidishab18 <71988063+Vidishab18@users.noreply.github.com> Date: Fri, 13 Nov 2020 17:44:18 -0800 Subject: [PATCH 224/821] Update StructureSequenceMatcher.java --- .../org/biojava/nbio/structure/io/StructureSequenceMatcher.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/StructureSequenceMatcher.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/StructureSequenceMatcher.java index e3c70452a7..3c884bbc2d 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/StructureSequenceMatcher.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/StructureSequenceMatcher.java @@ -119,7 +119,7 @@ public static ProteinSequence getProteinSequenceForStructure(Structure struct, M for(Chain chain : struct.getChains()) { List groups = chain.getAtomGroups(); - Map chainIndexPosition = new LinkedHashMap(); + Map chainIndexPosition = new HashMap(); int prevLen = seqStr.length(); // get the sequence for this chain From 43f8dcdd80aab451c0b9ad86f8079aa9d3ee9646 Mon Sep 17 00:00:00 2001 From: Vidishab18 <71988063+Vidishab18@users.noreply.github.com> Date: Fri, 13 Nov 2020 17:45:12 -0800 Subject: [PATCH 225/821] Update MmtfStructureReader.java --- .../biojava/nbio/structure/io/mmtf/MmtfStructureReader.java | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java index 09d8ca58a8..fbdf9d3869 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java @@ -27,6 +27,7 @@ import java.util.Collections; import java.util.Date; import java.util.HashMap; +import java.util.LinkedHashMap; import java.util.List; import java.util.Map; @@ -105,7 +106,7 @@ public class MmtfStructureReader implements StructureAdapterInterface, Serializa private List chainList; /** All the chains as a list of maps */ - private List> chainMap; + private List> chainMap; private List transformList; @@ -178,7 +179,7 @@ public void setModelInfo(int inputModelNumber, int chainCount) { modelNumber = inputModelNumber; structure.addModel(new ArrayList(chainCount)); - chainMap.add(new HashMap<>()); + chainMap.add(new LinkedHashMap<>()); } /* (non-Javadoc) From 2cbb6c6813ef959dd4dc747478570cf2511da190 Mon Sep 17 00:00:00 2001 From: Vidishab18 <71988063+Vidishab18@users.noreply.github.com> Date: Fri, 13 Nov 2020 17:48:55 -0800 Subject: [PATCH 226/821] Update MmtfStructureReader.java --- .../org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java index fbdf9d3869..6385b92391 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfStructureReader.java @@ -106,7 +106,7 @@ public class MmtfStructureReader implements StructureAdapterInterface, Serializa private List chainList; /** All the chains as a list of maps */ - private List> chainMap; + private List> chainMap; private List transformList; From e3bad37bd4bc39bdec3c70d1d76bc98acbec46bb Mon Sep 17 00:00:00 2001 From: JonStargaryen Date: Wed, 18 Nov 2020 15:10:30 -0800 Subject: [PATCH 227/821] detach mmcif.model.DatabasePdbrevRecord - replaced by DatabasePdbRevRecord --- .../nbio/structure/DatabasePdbRevRecord.java | 43 +++++++++++++++++++ .../org/biojava/nbio/structure/PDBHeader.java | 7 ++- .../structure/io/cif/CifFileConsumerImpl.java | 22 +++++----- 3 files changed, 56 insertions(+), 16 deletions(-) create mode 100644 biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePdbRevRecord.java diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePdbRevRecord.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePdbRevRecord.java new file mode 100644 index 0000000000..91ec85549f --- /dev/null +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/DatabasePdbRevRecord.java @@ -0,0 +1,43 @@ +package org.biojava.nbio.structure; + +import java.io.Serializable; + +public class DatabasePdbRevRecord implements Serializable { + private static final long serialVersionUID = -791924804009516791L; + private String rev_num; + private String type; + private String details; + + public String getRev_num() { + return rev_num; + } + + public void setRev_num(String rev_num) { + this.rev_num = rev_num; + } + + public String getType() { + return type; + } + + public void setType(String type) { + this.type = type; + } + + public String getDetails() { + return details; + } + + public void setDetails(String details) { + this.details = details; + } + + @Override + public String toString() { + return "DatabasePdbrevRecord{" + + "rev_num='" + rev_num + '\'' + + ", type='" + type + '\'' + + ", details='" + details + '\'' + + '}'; + } +} diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java index dbcc0f794c..1071c52c23 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBHeader.java @@ -20,7 +20,6 @@ */ package org.biojava.nbio.structure; -import org.biojava.nbio.structure.io.mmcif.model.DatabasePdbrevRecord; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -77,7 +76,7 @@ public class PDBHeader implements PDBRecord { private Map bioAssemblies ; - List revisionRecords; + List revisionRecords; public PDBHeader(){ @@ -663,11 +662,11 @@ public int getNrBioAssemblies() { return this.bioAssemblies.size(); } - public List getRevisionRecords() { + public List getRevisionRecords() { return revisionRecords; } - public void setRevisionRecords(List revisionRecords) { + public void setRevisionRecords(List revisionRecords) { this.revisionRecords = revisionRecords; } diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java index 7a8fae1e5d..a3af75fc91 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/CifFileConsumerImpl.java @@ -7,6 +7,7 @@ import org.biojava.nbio.structure.Chain; import org.biojava.nbio.structure.ChainImpl; import org.biojava.nbio.structure.DBRef; +import org.biojava.nbio.structure.DatabasePdbRevRecord; import org.biojava.nbio.structure.Element; import org.biojava.nbio.structure.EntityInfo; import org.biojava.nbio.structure.EntityType; @@ -30,7 +31,6 @@ import org.biojava.nbio.structure.io.FileParsingParameters; import org.biojava.nbio.structure.io.SeqRes2AtomAligner; import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; -import org.biojava.nbio.structure.io.mmcif.model.DatabasePdbrevRecord; import org.biojava.nbio.structure.quaternary.BioAssemblyInfo; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyBuilder; import org.biojava.nbio.structure.quaternary.BiologicalAssemblyTransformation; @@ -97,8 +97,6 @@ import java.util.stream.Collectors; import java.util.stream.IntStream; -// TODO detach the impl from the redundant mmCIF impl - /** * An implementation of a CifFileConsumer for BioJava. Will process the information provided by a CifFile instance and * use it to build up a {@link Structure} object. The implementation is for the most part really close to that in @@ -144,7 +142,7 @@ class CifFileConsumerImpl implements CifFileConsumer { private Map asymId2authorId; private Matrix4d parsedScaleMatrix; - private FileParsingParameters params; + private final FileParsingParameters params; public CifFileConsumerImpl(FileParsingParameters params) { this.params = params; @@ -624,7 +622,7 @@ public void consumeDatabasePDBrev(DatabasePDBRev databasePDBrev) { @Override public void consumeDatabasePDBrevRecord(DatabasePDBRevRecord databasePDBrevRecord) { - List revRecords = pdbHeader.getRevisionRecords(); + List revRecords = pdbHeader.getRevisionRecords(); if (revRecords == null) { revRecords = new ArrayList<>(); pdbHeader.setRevisionRecords(revRecords); @@ -633,10 +631,10 @@ public void consumeDatabasePDBrevRecord(DatabasePDBRevRecord databasePDBrevRecor revRecords.addAll(convert(databasePDBrevRecord)); } - private List convert(DatabasePDBRevRecord databasePDBrevRecord) { - List revRecords = new ArrayList<>(); + private List convert(DatabasePDBRevRecord databasePDBrevRecord) { + List revRecords = new ArrayList<>(); for (int rowIndex = 0; rowIndex < databasePDBrevRecord.getRowCount(); rowIndex++) { - DatabasePdbrevRecord revRecord = new DatabasePdbrevRecord(); + DatabasePdbRevRecord revRecord = new DatabasePdbRevRecord(); revRecord.setDetails(databasePDBrevRecord.getDetails().get(rowIndex)); revRecord.setRev_num(databasePDBrevRecord.getRevNum().getStringData(rowIndex)); revRecord.setType(databasePDBrevRecord.getType().get(rowIndex)); @@ -1297,14 +1295,14 @@ private void addEntity(int asymRowIndex, String entityId, String pdbxDescription } catch (NumberFormatException e) { logger.warn("Could not parse mol_id from string {}. Will use 0 for creating Entity", entityId); } - + int entityRowIndex = IntStream.range(0, entity.getRowCount()) .filter(i -> entity.getId().get(i).equals(entityId)) .findFirst() .orElse(-1); - + EntityInfo entityInfo = structure.getEntityById(eId); - + if (entityInfo == null) { entityInfo = new EntityInfo(); entityInfo.setMolId(eId); @@ -1320,7 +1318,7 @@ private void addEntity(int asymRowIndex, String entityId, String pdbxDescription } addAncilliaryEntityData(asymRowIndex, entityInfo); structure.addEntityInfo(entityInfo); - logger.debug("Adding Entity with entity id {} from _entity, with name: {}", eId, + logger.debug("Adding Entity with entity id {} from _entity, with name: {}", eId, entityInfo.getDescription()); } } From b4ecf191199c91e2fe2f2ec7c25144de30dbfdc7 Mon Sep 17 00:00:00 2001 From: Jose Duarte Date: Sun, 1 Nov 2020 13:35:04 -0800 Subject: [PATCH 228/821] WIP: start of pdbstatus rewrite --- .../org/biojava/nbio/structure/PDBStatus.java | 240 +++++++----------- 1 file changed, 85 insertions(+), 155 deletions(-) diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java index dfb95eab8e..1fc54f9410 100644 --- a/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java +++ b/biojava-structure/src/main/java/org/biojava/nbio/structure/PDBStatus.java @@ -23,6 +23,8 @@ */ package org.biojava.nbio.structure; +import com.fasterxml.jackson.databind.ObjectMapper; +import com.fasterxml.jackson.databind.type.TypeFactory; import org.biojava.nbio.structure.align.util.URLConnectionTools; import org.slf4j.Logger; import org.slf4j.LoggerFactory; @@ -43,19 +45,22 @@ * Methods for getting the status of a PDB file (current, obsolete, etc) * and for accessing different versions of the structure. * - *

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